smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc(C)[nH+]1 ZINC001165050090 721975688 /nfs/dbraw/zinc/97/56/88/721975688.db2.gz TVLRYVCHHOWJHE-MRXNPFEDSA-N 2 2 302.466 3.192 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000052070302 1081622879 /nfs/dbraw/zinc/62/28/79/1081622879.db2.gz IZKCLBGWZOWPCZ-UHFFFAOYSA-N 2 2 315.461 3.133 20 0 DGADLP Cc1c(F)cc[nH+]c1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160954 1081777162 /nfs/dbraw/zinc/77/71/62/1081777162.db2.gz MZGYNRKPMOUOCW-UHFFFAOYSA-N 2 2 311.404 3.171 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]CCCCn3cc[nH+]c3)s2)o1 ZINC001648895326 1081955928 /nfs/dbraw/zinc/95/59/28/1081955928.db2.gz KOUISPQSFXWFFO-UHFFFAOYSA-N 2 2 316.430 3.478 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072659264 1081961023 /nfs/dbraw/zinc/96/10/23/1081961023.db2.gz SARAIABSQANRIN-QGZVFWFLSA-N 3 2 314.477 3.472 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170098429 1082088371 /nfs/dbraw/zinc/08/83/71/1082088371.db2.gz RRJJRMXRQSQPIR-MAUKXSAKSA-N 2 2 302.462 3.438 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC001170137823 1082180179 /nfs/dbraw/zinc/18/01/79/1082180179.db2.gz PCGHDHZFUQTXMN-LSDHHAIUSA-N 2 2 304.482 3.072 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC001170137823 1082180181 /nfs/dbraw/zinc/18/01/81/1082180181.db2.gz PCGHDHZFUQTXMN-LSDHHAIUSA-N 2 2 304.482 3.072 20 0 DGADLP CC[C@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001130268887 1082561116 /nfs/dbraw/zinc/56/11/16/1082561116.db2.gz NWPZMHKWYISURL-INIZCTEOSA-N 2 2 322.412 3.034 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001207402308 1082990902 /nfs/dbraw/zinc/99/09/02/1082990902.db2.gz YCZFUNGJTASJMD-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001207402308 1082990905 /nfs/dbraw/zinc/99/09/05/1082990905.db2.gz YCZFUNGJTASJMD-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001170685736 1083119477 /nfs/dbraw/zinc/11/94/77/1083119477.db2.gz QQSCFNTUWKPPBB-KRWDZBQOSA-N 2 2 320.427 3.382 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170703426 1083178589 /nfs/dbraw/zinc/17/85/89/1083178589.db2.gz XGBWGUIOOZXNCY-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170703426 1083178591 /nfs/dbraw/zinc/17/85/91/1083178591.db2.gz XGBWGUIOOZXNCY-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001170706240 1083189454 /nfs/dbraw/zinc/18/94/54/1083189454.db2.gz ACPARSBMJCIQTG-DZGCQCFKSA-N 2 2 317.383 3.358 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000689794083 1083352912 /nfs/dbraw/zinc/35/29/12/1083352912.db2.gz NQNAMMVHURKPCC-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000689794083 1083352914 /nfs/dbraw/zinc/35/29/14/1083352914.db2.gz NQNAMMVHURKPCC-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc(SCC[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC001181514757 1083477910 /nfs/dbraw/zinc/47/79/10/1083477910.db2.gz NNYRGZHKOFPHII-UHFFFAOYSA-N 2 2 305.447 3.006 20 0 DGADLP COc1ccc(SCC[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC001181514757 1083477912 /nfs/dbraw/zinc/47/79/12/1083477912.db2.gz NNYRGZHKOFPHII-UHFFFAOYSA-N 2 2 305.447 3.006 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(C)nc2scc(C)n12 ZINC001181506306 1083479168 /nfs/dbraw/zinc/47/91/68/1083479168.db2.gz PKQZEPZWIXHECB-UHFFFAOYSA-N 2 2 320.506 3.320 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)nc2scc(C)n12 ZINC001181506306 1083479177 /nfs/dbraw/zinc/47/91/77/1083479177.db2.gz PKQZEPZWIXHECB-UHFFFAOYSA-N 2 2 320.506 3.320 20 0 DGADLP CCCc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001182595396 1083760437 /nfs/dbraw/zinc/76/04/37/1083760437.db2.gz SGQYCBOLMCOWHD-HXUWFJFHSA-N 2 2 316.489 3.326 20 0 DGADLP CCCc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001182595396 1083760445 /nfs/dbraw/zinc/76/04/45/1083760445.db2.gz SGQYCBOLMCOWHD-HXUWFJFHSA-N 2 2 316.489 3.326 20 0 DGADLP COC(=O)c1csc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001183065806 1083869780 /nfs/dbraw/zinc/86/97/80/1083869780.db2.gz PULMYWWDOBIGEL-BBRMVZONSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1csc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001183065806 1083869796 /nfs/dbraw/zinc/86/97/96/1083869796.db2.gz PULMYWWDOBIGEL-BBRMVZONSA-N 2 2 324.490 3.087 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205280616 1084013642 /nfs/dbraw/zinc/01/36/42/1084013642.db2.gz DJZBNPJVKCURNH-ZDUSSCGKSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205280616 1084013663 /nfs/dbraw/zinc/01/36/63/1084013663.db2.gz DJZBNPJVKCURNH-ZDUSSCGKSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2csc(Br)c2)CC1 ZINC001205288513 1084081442 /nfs/dbraw/zinc/08/14/42/1084081442.db2.gz KQUNHDWJZMUSJY-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001205288513 1084081454 /nfs/dbraw/zinc/08/14/54/1084081454.db2.gz KQUNHDWJZMUSJY-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001184418107 1084179636 /nfs/dbraw/zinc/17/96/36/1084179636.db2.gz KOGVKQCDUQPEIW-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP Cc1cc(C)c2c(c1)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001184418107 1084179638 /nfs/dbraw/zinc/17/96/38/1084179638.db2.gz KOGVKQCDUQPEIW-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP CC1CC[NH+](CCCNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001184644698 1084234060 /nfs/dbraw/zinc/23/40/60/1084234060.db2.gz SLZVJMHOBNBIEO-UHFFFAOYSA-N 2 2 323.444 3.416 20 0 DGADLP C[NH+](C)CCN(c1nc2ccccc2n2c[nH+]cc12)C1CCCC1 ZINC001186430803 1084649036 /nfs/dbraw/zinc/64/90/36/1084649036.db2.gz FWMPEUDKVCGHML-UHFFFAOYSA-N 2 2 323.444 3.193 20 0 DGADLP CCCCC[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001481833969 1084656202 /nfs/dbraw/zinc/65/62/02/1084656202.db2.gz FNERXYUAJQMBGS-INIZCTEOSA-N 2 2 305.466 3.295 20 0 DGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC=C(C)C ZINC001269442536 1085387299 /nfs/dbraw/zinc/38/72/99/1085387299.db2.gz KODRWTOFOZYWSW-INIZCTEOSA-N 2 2 303.450 3.071 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001271045334 1086263857 /nfs/dbraw/zinc/26/38/57/1086263857.db2.gz YDAAQKLCJDRZHY-YAJUMTOWSA-N 2 2 317.477 3.103 20 0 DGADLP CCC1([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)COC1 ZINC001168014446 1086270178 /nfs/dbraw/zinc/27/01/78/1086270178.db2.gz LGGKGZLLFTZYCY-HZPDHXFCSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143591804 1086352019 /nfs/dbraw/zinc/35/20/19/1086352019.db2.gz KJCHJHAYYMHVSC-KRWDZBQOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1cc(F)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143591804 1086352032 /nfs/dbraw/zinc/35/20/32/1086352032.db2.gz KJCHJHAYYMHVSC-KRWDZBQOSA-N 2 2 300.377 3.491 20 0 DGADLP CO[C@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041060 1086503639 /nfs/dbraw/zinc/50/36/39/1086503639.db2.gz QLSRGDPXNUBOGO-LNMJFAINSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041060 1086503648 /nfs/dbraw/zinc/50/36/48/1086503648.db2.gz QLSRGDPXNUBOGO-LNMJFAINSA-N 2 2 320.452 3.097 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCCC23COC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055926 1086622081 /nfs/dbraw/zinc/62/20/81/1086622081.db2.gz YMHIQFMKZDCCJY-IAGOWNOFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1CC([N@H+]2CCCC23COC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055926 1086622089 /nfs/dbraw/zinc/62/20/89/1086622089.db2.gz YMHIQFMKZDCCJY-IAGOWNOFSA-N 2 2 314.473 3.293 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)onc1-c1ccccc1 ZINC001141992337 1086628443 /nfs/dbraw/zinc/62/84/43/1086628443.db2.gz LJYCFSVYYDCKOR-UHFFFAOYSA-N 2 2 301.434 3.424 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)onc1-c1ccccc1 ZINC001141992337 1086628449 /nfs/dbraw/zinc/62/84/49/1086628449.db2.gz LJYCFSVYYDCKOR-UHFFFAOYSA-N 2 2 301.434 3.424 20 0 DGADLP CC[N@H+](C1COC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065218 1086660493 /nfs/dbraw/zinc/66/04/93/1086660493.db2.gz UWRACHOQHMAEBY-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP CC[N@@H+](C1COC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065218 1086660495 /nfs/dbraw/zinc/66/04/95/1086660495.db2.gz UWRACHOQHMAEBY-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP CC[NH+](C1COC1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065218 1086660502 /nfs/dbraw/zinc/66/05/02/1086660502.db2.gz UWRACHOQHMAEBY-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP CC[NH+](C1COC1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065218 1086660506 /nfs/dbraw/zinc/66/05/06/1086660506.db2.gz UWRACHOQHMAEBY-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143106 1086982445 /nfs/dbraw/zinc/98/24/45/1086982445.db2.gz HBMGSHDQJXGDSU-HNAYVOBHSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143106 1086982448 /nfs/dbraw/zinc/98/24/48/1086982448.db2.gz HBMGSHDQJXGDSU-HNAYVOBHSA-N 2 2 320.452 3.289 20 0 DGADLP Cc1[nH+]c2c(n1[C@H](C)Cc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC001168184528 1087030282 /nfs/dbraw/zinc/03/02/82/1087030282.db2.gz UQJRNWGNUGGAJN-GFCCVEGCSA-N 2 2 303.837 3.337 20 0 DGADLP CCC(CC)C[NH2+]C/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001483040334 1087252577 /nfs/dbraw/zinc/25/25/77/1087252577.db2.gz RJFDZDCVFXOAMS-CMDGGOBGSA-N 2 2 317.477 3.319 20 0 DGADLP COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292255 1087284545 /nfs/dbraw/zinc/28/45/45/1087284545.db2.gz SYLIZJMRBCMEGE-MJGOQNOKSA-N 2 2 324.424 3.019 20 0 DGADLP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292255 1087284552 /nfs/dbraw/zinc/28/45/52/1087284552.db2.gz SYLIZJMRBCMEGE-MJGOQNOKSA-N 2 2 324.424 3.019 20 0 DGADLP Cc1nc2[nH]ccc2c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158265400 1087750150 /nfs/dbraw/zinc/75/01/50/1087750150.db2.gz GXSUTNBYELVZIV-SJKOYZFVSA-N 2 2 301.438 3.222 20 0 DGADLP Cc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2c([nH+]1)CCC2 ZINC001158267348 1087750279 /nfs/dbraw/zinc/75/02/79/1087750279.db2.gz WQCHFEUBDBWLLO-UGSOOPFHSA-N 2 2 302.466 3.229 20 0 DGADLP Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2c([nH+]1)CCC2 ZINC001158267342 1087750776 /nfs/dbraw/zinc/75/07/76/1087750776.db2.gz WQCHFEUBDBWLLO-FZKQIMNGSA-N 2 2 302.466 3.229 20 0 DGADLP Cc1nc2[nH]ccc2c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158265401 1087751743 /nfs/dbraw/zinc/75/17/43/1087751743.db2.gz GXSUTNBYELVZIV-YVEFUNNKSA-N 2 2 301.438 3.222 20 0 DGADLP C[C@H]1C[C@@H](Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)c2ccccc21 ZINC001158474734 1087851753 /nfs/dbraw/zinc/85/17/53/1087851753.db2.gz SXJVGLYSVIQCPS-MAUKXSAKSA-N 2 2 322.456 3.494 20 0 DGADLP Brc1c[nH+]c2ccc(NC=CC3CC[NH2+]CC3)cn12 ZINC001159228207 1088243383 /nfs/dbraw/zinc/24/33/83/1088243383.db2.gz VQBXKEKJMBMKCQ-VMPITWQZSA-N 2 2 321.222 3.022 20 0 DGADLP Cc1ccc(N(CC2CC[NH2+]CC2)c2ccccc2N)c(C)[nH+]1 ZINC001159894467 1088535655 /nfs/dbraw/zinc/53/56/55/1088535655.db2.gz DBDYGFHUOKCPRG-UHFFFAOYSA-N 2 2 310.445 3.418 20 0 DGADLP c1cn2ccc(Nc3ccc(O[C@H]4CCC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159947867 1088566188 /nfs/dbraw/zinc/56/61/88/1088566188.db2.gz CJYBPSYNDDEONT-KRWDZBQOSA-N 2 2 308.385 3.209 20 0 DGADLP Cc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc(C2CC2)[nH+]1 ZINC001159953580 1088570935 /nfs/dbraw/zinc/57/09/35/1088570935.db2.gz VQFRYHKUBCINMH-CQSZACIVSA-N 2 2 318.424 3.422 20 0 DGADLP Cc1ccc(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC001160056275 1088624654 /nfs/dbraw/zinc/62/46/54/1088624654.db2.gz SECKPFHRVVPHJG-CQSZACIVSA-N 2 2 300.381 3.119 20 0 DGADLP Cc1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206673646 1088637706 /nfs/dbraw/zinc/63/77/06/1088637706.db2.gz IYPVAKAJUUFNFW-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP Cc1cccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206673646 1088637713 /nfs/dbraw/zinc/63/77/13/1088637713.db2.gz IYPVAKAJUUFNFW-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP CNc1ccc(Nc2ccc(OC3CC[NH2+]CC3)c(F)c2)c[nH+]1 ZINC001160099529 1088639380 /nfs/dbraw/zinc/63/93/80/1088639380.db2.gz ZYYSQHHZJZLOIJ-UHFFFAOYSA-N 2 2 316.380 3.137 20 0 DGADLP Cc1cc(C)c(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC001160141525 1088666720 /nfs/dbraw/zinc/66/67/20/1088666720.db2.gz DKZJAFSRJKNANU-CQSZACIVSA-N 2 2 301.365 3.322 20 0 DGADLP Cc1cc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)ccc1[NH+](C)C ZINC001160394662 1088780816 /nfs/dbraw/zinc/78/08/16/1088780816.db2.gz LSHVEHZMKUOACR-KDOFPFPSSA-N 2 2 309.413 3.252 20 0 DGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001160528403 1088852852 /nfs/dbraw/zinc/85/28/52/1088852852.db2.gz OMGLAYZPULFDTG-INIZCTEOSA-N 2 2 322.497 3.002 20 0 DGADLP CCCCCC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160533640 1088858661 /nfs/dbraw/zinc/85/86/61/1088858661.db2.gz ALZYQSKZRLJXPS-KRWDZBQOSA-N 2 2 322.497 3.147 20 0 DGADLP CCCN(CCC)c1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]cn1 ZINC001155030366 1088907562 /nfs/dbraw/zinc/90/75/62/1088907562.db2.gz JOPWGZVZDZGHLX-CVEARBPZSA-N 2 2 319.497 3.151 20 0 DGADLP CCCN(CCC)c1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc[nH+]1 ZINC001155030366 1088907576 /nfs/dbraw/zinc/90/75/76/1088907576.db2.gz JOPWGZVZDZGHLX-CVEARBPZSA-N 2 2 319.497 3.151 20 0 DGADLP CSc1cc(Cl)cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063898 1088928612 /nfs/dbraw/zinc/92/86/12/1088928612.db2.gz JAFCQPSVQXNWMI-UHFFFAOYSA-N 2 2 308.838 3.110 20 0 DGADLP Cc1cc2ccccc2c(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)[nH+]1 ZINC001160723363 1088931751 /nfs/dbraw/zinc/93/17/51/1088931751.db2.gz FZDIIHJHNWCISS-MSOLQXFVSA-N 2 2 311.429 3.208 20 0 DGADLP C[C@@H]1CCCC[C@@H]1CNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001155077044 1088931970 /nfs/dbraw/zinc/93/19/70/1088931970.db2.gz KNCCDKLIKCSUOJ-HZPDHXFCSA-N 2 2 302.466 3.072 20 0 DGADLP CCC/C=C/CC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160993314 1089062345 /nfs/dbraw/zinc/06/23/45/1089062345.db2.gz ZSBXGYHNIXGSMK-SNAWJCMRSA-N 2 2 314.433 3.019 20 0 DGADLP CCC(CC)[NH+]1CCC(Nc2[nH+]ccc(C)c2NC(C)=O)CC1 ZINC001161100868 1089114807 /nfs/dbraw/zinc/11/48/07/1089114807.db2.gz WFWOLJWCBHQJAO-UHFFFAOYSA-N 2 2 318.465 3.413 20 0 DGADLP Cc1c(F)cc[nH+]c1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161130796 1089130283 /nfs/dbraw/zinc/13/02/83/1089130283.db2.gz CJDNKCLZFZEHCS-UHFFFAOYSA-N 2 2 315.392 3.311 20 0 DGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521239 1089144181 /nfs/dbraw/zinc/14/41/81/1089144181.db2.gz IDOFCBWTOSFEMI-DLBZAZTESA-N 2 2 322.497 3.097 20 0 DGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521239 1089144190 /nfs/dbraw/zinc/14/41/90/1089144190.db2.gz IDOFCBWTOSFEMI-DLBZAZTESA-N 2 2 322.497 3.097 20 0 DGADLP CCN(CC)c1cc(NC2CC[NH+](CC(C)(C)C)CC2)nc[nH+]1 ZINC001161208524 1089155871 /nfs/dbraw/zinc/15/58/71/1089155871.db2.gz CCNXXJISOUTSTF-UHFFFAOYSA-N 2 2 319.497 3.245 20 0 DGADLP CCN(CC)c1cc(NC2CC[NH+](CC(C)(C)C)CC2)[nH+]cn1 ZINC001161208524 1089155886 /nfs/dbraw/zinc/15/58/86/1089155886.db2.gz CCNXXJISOUTSTF-UHFFFAOYSA-N 2 2 319.497 3.245 20 0 DGADLP Clc1cc(-c2cc[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2)ccn1 ZINC001155583275 1089173818 /nfs/dbraw/zinc/17/38/18/1089173818.db2.gz JXDTYCWFGUUFBH-ILXRZTDVSA-N 2 2 314.820 3.207 20 0 DGADLP Cc1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]c2ccccc12 ZINC001155599242 1089181647 /nfs/dbraw/zinc/18/16/47/1089181647.db2.gz SBGAXBFLFNMFLR-HNAYVOBHSA-N 2 2 311.429 3.114 20 0 DGADLP Cc1cc(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]c2ccccc12 ZINC001161584375 1089296051 /nfs/dbraw/zinc/29/60/51/1089296051.db2.gz WBWQYNYISKUEOM-UHFFFAOYSA-N 2 2 318.424 3.393 20 0 DGADLP CCc1nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc(C)[nH+]1 ZINC001155995666 1089339251 /nfs/dbraw/zinc/33/92/51/1089339251.db2.gz IQDOAFWWGCXBDM-UHFFFAOYSA-N 2 2 300.793 3.403 20 0 DGADLP Fc1ccc(NCCCn2cc[nH+]c2)cc1C[NH+]1CCCC1 ZINC001161688878 1089347872 /nfs/dbraw/zinc/34/78/72/1089347872.db2.gz AUVALGGNOZQUPT-UHFFFAOYSA-N 2 2 302.397 3.120 20 0 DGADLP CC[NH+](CC)Cc1cccc(NCCCn2cc[nH+]c2)c1F ZINC001161689289 1089350579 /nfs/dbraw/zinc/35/05/79/1089350579.db2.gz MZTOBFKVLMTMET-UHFFFAOYSA-N 2 2 304.413 3.366 20 0 DGADLP c1cn(CCCNc2ccc(SC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001161689507 1089351142 /nfs/dbraw/zinc/35/11/42/1089351142.db2.gz WWGXPEVOICMOQK-UHFFFAOYSA-N 2 2 316.474 3.229 20 0 DGADLP Cc1c(F)cc[nH+]c1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988760 1089513278 /nfs/dbraw/zinc/51/32/78/1089513278.db2.gz QJNMELCVNHMYNT-UHFFFAOYSA-N 2 2 317.383 3.209 20 0 DGADLP COc1cc2cc[nH+]c(N[C@]3(C)CCC[N@H+](C)C3)c2cc1OC ZINC001162337109 1089677603 /nfs/dbraw/zinc/67/76/03/1089677603.db2.gz LJDSCXQVDBECSD-GOSISDBHSA-N 2 2 315.417 3.148 20 0 DGADLP COc1cc2cc[nH+]c(N[C@]3(C)CCC[N@@H+](C)C3)c2cc1OC ZINC001162337109 1089677610 /nfs/dbraw/zinc/67/76/10/1089677610.db2.gz LJDSCXQVDBECSD-GOSISDBHSA-N 2 2 315.417 3.148 20 0 DGADLP Nc1cc(CNc2[nH+]c(N3CCCC3)cc3ccccc32)cc[nH+]1 ZINC001156760654 1089680381 /nfs/dbraw/zinc/68/03/81/1089680381.db2.gz MLOMQXVERCSWBX-UHFFFAOYSA-N 2 2 319.412 3.424 20 0 DGADLP CC(C)[PH+](CCNc1cc(N2CCOCC2)[nH+]cn1)C(C)C ZINC001162358341 1089694210 /nfs/dbraw/zinc/69/42/10/1089694210.db2.gz NEWZPIHGICBWMY-UHFFFAOYSA-N 2 2 324.409 3.024 20 0 DGADLP CCCc1cc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC001157435979 1089966887 /nfs/dbraw/zinc/96/68/87/1089966887.db2.gz UHMMDWXASSMGBU-IBGZPJMESA-N 2 2 324.472 3.496 20 0 DGADLP FC(F)(F)c1c[nH]c2[nH+]ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c12 ZINC001162983215 1090045671 /nfs/dbraw/zinc/04/56/71/1090045671.db2.gz RGDBXSKYXHTVLF-SMDDNHRTSA-N 2 2 310.323 3.278 20 0 DGADLP c1ccc(-c2ccc[nH+]c2NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001163271106 1090135624 /nfs/dbraw/zinc/13/56/24/1090135624.db2.gz PKFSYYSMWNVMFO-JXFKEZNVSA-N 2 2 323.440 3.319 20 0 DGADLP Cc1c[nH+]c(N(CC(C)(C)C)C2CC[NH2+]CC2)nc1NC(C)C ZINC001157883679 1090139378 /nfs/dbraw/zinc/13/93/78/1090139378.db2.gz ZJFLIWYMVQSDMC-UHFFFAOYSA-N 2 2 319.497 3.210 20 0 DGADLP CCC[NH2+][C@H](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001485787793 1090278999 /nfs/dbraw/zinc/27/89/99/1090278999.db2.gz UVZPYVWKSRQQQU-MRXNPFEDSA-N 2 2 305.466 3.151 20 0 DGADLP COc1cc2cc[nH+]c(N3CCC[C@@](C)(C[NH3+])CC3)c2cc1F ZINC001164249030 1090386201 /nfs/dbraw/zinc/38/62/01/1090386201.db2.gz ADHQBXZHQVLUPN-GOSISDBHSA-N 2 2 317.408 3.338 20 0 DGADLP CC[NH+]1CCC(N(C)c2cc(C)c3ccc(OC)cc3[nH+]2)CC1 ZINC001165068125 1090459154 /nfs/dbraw/zinc/45/91/54/1090459154.db2.gz PIBDYXCMQPOMAU-UHFFFAOYSA-N 2 2 313.445 3.472 20 0 DGADLP Cc1nc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC001165083632 1090462259 /nfs/dbraw/zinc/46/22/59/1090462259.db2.gz YQUFSWAGTJZGOH-OALUTQOASA-N 2 2 322.456 3.113 20 0 DGADLP Cc1nc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC001165083632 1090462260 /nfs/dbraw/zinc/46/22/60/1090462260.db2.gz YQUFSWAGTJZGOH-OALUTQOASA-N 2 2 322.456 3.113 20 0 DGADLP C[N@@H+]1CCC[C@@H](CCNc2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001165300583 1090499552 /nfs/dbraw/zinc/49/95/52/1090499552.db2.gz QZFPSTOOOAXUTO-AWEZNQCLSA-N 2 2 302.397 3.155 20 0 DGADLP C[N@H+]1CCC[C@@H](CCNc2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001165300583 1090499554 /nfs/dbraw/zinc/49/95/54/1090499554.db2.gz QZFPSTOOOAXUTO-AWEZNQCLSA-N 2 2 302.397 3.155 20 0 DGADLP Cc1[nH+]c2c(n1-c1nc3ccccc3cc1Cl)CC[NH2+]CC2 ZINC001165353625 1090510231 /nfs/dbraw/zinc/51/02/31/1090510231.db2.gz SJQTYIXLDRZGJY-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP Cc1[nH+]c2c(n1-c1nccc3cc(Cl)ccc31)CC[NH2+]CC2 ZINC001165352970 1090510335 /nfs/dbraw/zinc/51/03/35/1090510335.db2.gz KCWZQIUDMTVMEZ-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP c1ccc(C[NH+]2CC(CNc3ccc(N4CCCC4)[nH+]c3)C2)cc1 ZINC001165455502 1090522613 /nfs/dbraw/zinc/52/26/13/1090522613.db2.gz YZRQWVOKICHUAS-UHFFFAOYSA-N 2 2 322.456 3.226 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531845 1090627227 /nfs/dbraw/zinc/62/72/27/1090627227.db2.gz JWQJJQKBHDIDLC-VQTJNVASSA-N 3 2 315.505 3.113 20 0 DGADLP CCc1[nH]c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC001203243537 1090707156 /nfs/dbraw/zinc/70/71/56/1090707156.db2.gz LZARCKIXHNXBFZ-HNNXBMFYSA-N 2 2 303.381 3.073 20 0 DGADLP CCc1[nH]c(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC001203243537 1090707159 /nfs/dbraw/zinc/70/71/59/1090707159.db2.gz LZARCKIXHNXBFZ-HNNXBMFYSA-N 2 2 303.381 3.073 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2-n1c(N)[nH+]c2ccc(C)cc21 ZINC001203519531 1090746860 /nfs/dbraw/zinc/74/68/60/1090746860.db2.gz KDMQWFJTVWETLE-UHFFFAOYSA-N 2 2 304.353 3.473 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(C)c1 ZINC001203731735 1090791657 /nfs/dbraw/zinc/79/16/57/1090791657.db2.gz KTVUHICMQCJNBB-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203991587 1090861856 /nfs/dbraw/zinc/86/18/56/1090861856.db2.gz PXQQSRVYHDZSGQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203991587 1090861862 /nfs/dbraw/zinc/86/18/62/1090861862.db2.gz PXQQSRVYHDZSGQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001203991587 1090861873 /nfs/dbraw/zinc/86/18/73/1090861873.db2.gz PXQQSRVYHDZSGQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001203991587 1090861885 /nfs/dbraw/zinc/86/18/85/1090861885.db2.gz PXQQSRVYHDZSGQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(C)n4)C[C@H]3C2)cc1 ZINC001204066876 1090890002 /nfs/dbraw/zinc/89/00/02/1090890002.db2.gz UKTDZHMLANXAGR-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204171559 1090912274 /nfs/dbraw/zinc/91/22/74/1090912274.db2.gz KZTPJLMPKPKREJ-IBGZPJMESA-N 2 2 302.462 3.070 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204171559 1090912277 /nfs/dbraw/zinc/91/22/77/1090912277.db2.gz KZTPJLMPKPKREJ-IBGZPJMESA-N 2 2 302.462 3.070 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204226431 1090927935 /nfs/dbraw/zinc/92/79/35/1090927935.db2.gz DPHUHGHUBGLVAC-CQSZACIVSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204226431 1090927938 /nfs/dbraw/zinc/92/79/38/1090927938.db2.gz DPHUHGHUBGLVAC-CQSZACIVSA-N 2 2 304.340 3.322 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)o1 ZINC001204391615 1090960823 /nfs/dbraw/zinc/96/08/23/1090960823.db2.gz RORJRXUUFKJVHR-HUUCEWRRSA-N 2 2 316.470 3.467 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(OC(F)(F)F)c1 ZINC001204433771 1090968307 /nfs/dbraw/zinc/96/83/07/1090968307.db2.gz GMPSKKWIBLJHAE-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(OC(F)(F)F)c1 ZINC001204433771 1090968312 /nfs/dbraw/zinc/96/83/12/1090968312.db2.gz GMPSKKWIBLJHAE-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204522103 1090990215 /nfs/dbraw/zinc/99/02/15/1090990215.db2.gz QMIYWJMWFXSGBL-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001204550005 1090997931 /nfs/dbraw/zinc/99/79/31/1090997931.db2.gz DPEMPHRIUIHXKL-HNNXBMFYSA-N 2 2 303.475 3.460 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001204550005 1090997935 /nfs/dbraw/zinc/99/79/35/1090997935.db2.gz DPEMPHRIUIHXKL-HNNXBMFYSA-N 2 2 303.475 3.460 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1F ZINC001204562776 1091000475 /nfs/dbraw/zinc/00/04/75/1091000475.db2.gz SSBIBNABJBLNRZ-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1F ZINC001204562776 1091000482 /nfs/dbraw/zinc/00/04/82/1091000482.db2.gz SSBIBNABJBLNRZ-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204809721 1091040547 /nfs/dbraw/zinc/04/05/47/1091040547.db2.gz JTMOALYKQWVIQN-FQEVSTJZSA-N 2 2 309.457 3.343 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204809721 1091040552 /nfs/dbraw/zinc/04/05/52/1091040552.db2.gz JTMOALYKQWVIQN-FQEVSTJZSA-N 2 2 309.457 3.343 20 0 DGADLP Cc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC001168746460 1091044406 /nfs/dbraw/zinc/04/44/06/1091044406.db2.gz QRXZIQHMXUTHAH-UHFFFAOYSA-N 2 2 308.429 3.256 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)O1 ZINC001204869720 1091051792 /nfs/dbraw/zinc/05/17/92/1091051792.db2.gz HOBDXLHVBCOFLS-INIZCTEOSA-N 2 2 306.837 3.154 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)O1 ZINC001204869720 1091051798 /nfs/dbraw/zinc/05/17/98/1091051798.db2.gz HOBDXLHVBCOFLS-INIZCTEOSA-N 2 2 306.837 3.154 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)ccc2Br)C1 ZINC001205009524 1091083486 /nfs/dbraw/zinc/08/34/86/1091083486.db2.gz WAPUKMKQAXKTQS-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)ccc2Br)C1 ZINC001205009524 1091083490 /nfs/dbraw/zinc/08/34/90/1091083490.db2.gz WAPUKMKQAXKTQS-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001205009487 1091083698 /nfs/dbraw/zinc/08/36/98/1091083698.db2.gz UPZCXQCKXVQDAI-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001205009487 1091083704 /nfs/dbraw/zinc/08/37/04/1091083704.db2.gz UPZCXQCKXVQDAI-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1C ZINC001205067310 1091093941 /nfs/dbraw/zinc/09/39/41/1091093941.db2.gz PXJVGTMIRBAJSO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1C ZINC001205067310 1091093946 /nfs/dbraw/zinc/09/39/46/1091093946.db2.gz PXJVGTMIRBAJSO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1C ZINC001205067310 1091093953 /nfs/dbraw/zinc/09/39/53/1091093953.db2.gz PXJVGTMIRBAJSO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1C ZINC001205067310 1091093959 /nfs/dbraw/zinc/09/39/59/1091093959.db2.gz PXJVGTMIRBAJSO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC001205146614 1091112754 /nfs/dbraw/zinc/11/27/54/1091112754.db2.gz YZFJNZXLVYWNRA-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)C[C@H]1C[NH3+] ZINC001205146614 1091112758 /nfs/dbraw/zinc/11/27/58/1091112758.db2.gz YZFJNZXLVYWNRA-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205266937 1091156559 /nfs/dbraw/zinc/15/65/59/1091156559.db2.gz YKWWQQHSRYQXIY-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205266937 1091156563 /nfs/dbraw/zinc/15/65/63/1091156563.db2.gz YKWWQQHSRYQXIY-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2sccc2Br)CC1 ZINC001205274605 1091160559 /nfs/dbraw/zinc/16/05/59/1091160559.db2.gz YPTGPNCLRGYGRR-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001205274605 1091160565 /nfs/dbraw/zinc/16/05/65/1091160565.db2.gz YPTGPNCLRGYGRR-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3[nH]c4ccc(F)cc4c3C)C[C@H]2C1 ZINC001138414920 1091174436 /nfs/dbraw/zinc/17/44/36/1091174436.db2.gz SKUFWLFKMSFEMS-HUUCEWRRSA-N 2 2 315.436 3.389 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324770 1091185696 /nfs/dbraw/zinc/18/56/96/1091185696.db2.gz GLYPWSUSIKTANP-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324770 1091185698 /nfs/dbraw/zinc/18/56/98/1091185698.db2.gz GLYPWSUSIKTANP-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138488971 1091201654 /nfs/dbraw/zinc/20/16/54/1091201654.db2.gz KEUXVGQOAYAPKH-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138488971 1091201659 /nfs/dbraw/zinc/20/16/59/1091201659.db2.gz KEUXVGQOAYAPKH-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP CC[N@H+](Cc1c[nH]c2ccc(OC)cc12)C1CC[NH+](C)CC1 ZINC001138509220 1091211212 /nfs/dbraw/zinc/21/12/12/1091211212.db2.gz NHVLMWJASYUIJA-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2ccc(OC)cc12)C1CC[NH+](C)CC1 ZINC001138509220 1091211223 /nfs/dbraw/zinc/21/12/23/1091211223.db2.gz NHVLMWJASYUIJA-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(C)C)c(OC)c1 ZINC001138575902 1091238692 /nfs/dbraw/zinc/23/86/92/1091238692.db2.gz BYGYEUFTACMTSZ-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(C)C)c(OC)c1 ZINC001138575902 1091238703 /nfs/dbraw/zinc/23/87/03/1091238703.db2.gz BYGYEUFTACMTSZ-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001205517117 1091240450 /nfs/dbraw/zinc/24/04/50/1091240450.db2.gz HAEHLGBNDSFOGK-MRXNPFEDSA-N 2 2 305.466 3.242 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)n2)CCC1(F)F ZINC001205794728 1091351058 /nfs/dbraw/zinc/35/10/58/1091351058.db2.gz ACDSTTNYYKRDMM-OAHLLOKOSA-N 2 2 317.383 3.165 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)n2)CCC1(F)F ZINC001205794728 1091351069 /nfs/dbraw/zinc/35/10/69/1091351069.db2.gz ACDSTTNYYKRDMM-OAHLLOKOSA-N 2 2 317.383 3.165 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(C)c1Cl ZINC001205795610 1091351567 /nfs/dbraw/zinc/35/15/67/1091351567.db2.gz IWDFQPYAVYSLGT-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(C)c1Cl ZINC001205795610 1091351577 /nfs/dbraw/zinc/35/15/77/1091351577.db2.gz IWDFQPYAVYSLGT-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Br ZINC001205903518 1091401893 /nfs/dbraw/zinc/40/18/93/1091401893.db2.gz PVHHGXGGRDWHRX-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Br ZINC001205903518 1091401898 /nfs/dbraw/zinc/40/18/98/1091401898.db2.gz PVHHGXGGRDWHRX-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@]1(F)CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139056181 1091432911 /nfs/dbraw/zinc/43/29/11/1091432911.db2.gz YQQYEDBPUYPWDS-IBGZPJMESA-N 2 2 320.452 3.233 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206036648 1091463555 /nfs/dbraw/zinc/46/35/55/1091463555.db2.gz NFBXRAMHVWUYNW-VHSXEESVSA-N 2 2 318.795 3.131 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206036648 1091463558 /nfs/dbraw/zinc/46/35/58/1091463558.db2.gz NFBXRAMHVWUYNW-VHSXEESVSA-N 2 2 318.795 3.131 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206186005 1091526380 /nfs/dbraw/zinc/52/63/80/1091526380.db2.gz PRQXYKWGZDLJDZ-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206186005 1091526390 /nfs/dbraw/zinc/52/63/90/1091526390.db2.gz PRQXYKWGZDLJDZ-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c(Cl)nc12 ZINC001206188956 1091526579 /nfs/dbraw/zinc/52/65/79/1091526579.db2.gz WLTVOJOWGVQDIJ-HUUCEWRRSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1cccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c(Cl)nc12 ZINC001206188956 1091526592 /nfs/dbraw/zinc/52/65/92/1091526592.db2.gz WLTVOJOWGVQDIJ-HUUCEWRRSA-N 2 2 321.827 3.458 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001139353670 1091532637 /nfs/dbraw/zinc/53/26/37/1091532637.db2.gz WYEDQKDBGKRFJY-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP c1cn(-c2ccc(C[N@H+](C3CCC3)C3CCOCC3)cc2)c[nH+]1 ZINC001139364528 1091535347 /nfs/dbraw/zinc/53/53/47/1091535347.db2.gz VJLQPSPZMFOIFE-UHFFFAOYSA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@@H+](C3CCC3)C3CCOCC3)cc2)c[nH+]1 ZINC001139364528 1091535352 /nfs/dbraw/zinc/53/53/52/1091535352.db2.gz VJLQPSPZMFOIFE-UHFFFAOYSA-N 2 2 311.429 3.406 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263056 1091554434 /nfs/dbraw/zinc/55/44/34/1091554434.db2.gz MPGANZAPYUOACY-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263056 1091554443 /nfs/dbraw/zinc/55/44/43/1091554443.db2.gz MPGANZAPYUOACY-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP c1cn2c([nH+]1)CC[N@@H+](Cc1ccc(-c3ccsc3)nc1)CC2 ZINC001139506038 1091580800 /nfs/dbraw/zinc/58/08/00/1091580800.db2.gz YQHRHDNYFQPLRV-UHFFFAOYSA-N 2 2 310.426 3.065 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001206337692 1091585077 /nfs/dbraw/zinc/58/50/77/1091585077.db2.gz VJAWDCSCHXWEMW-HNNXBMFYSA-N 2 2 318.358 3.401 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001206337692 1091585090 /nfs/dbraw/zinc/58/50/90/1091585090.db2.gz VJAWDCSCHXWEMW-HNNXBMFYSA-N 2 2 318.358 3.401 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206352125 1091591122 /nfs/dbraw/zinc/59/11/22/1091591122.db2.gz OUJPUJUOJXCLAS-LJQANCHMSA-N 2 2 313.420 3.402 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206352125 1091591130 /nfs/dbraw/zinc/59/11/30/1091591130.db2.gz OUJPUJUOJXCLAS-LJQANCHMSA-N 2 2 313.420 3.402 20 0 DGADLP Cc1cccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1OC(C)C ZINC001206362296 1091598338 /nfs/dbraw/zinc/59/83/38/1091598338.db2.gz NEYGOCWUZFEHSD-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1cccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1OC(C)C ZINC001206362296 1091598344 /nfs/dbraw/zinc/59/83/44/1091598344.db2.gz NEYGOCWUZFEHSD-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1cc(O)cc(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001139712729 1091649382 /nfs/dbraw/zinc/64/93/82/1091649382.db2.gz WEAWSMHMHXLSCV-UHFFFAOYSA-N 2 2 312.413 3.447 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2csc(Br)c2)C1 ZINC001206565980 1091671444 /nfs/dbraw/zinc/67/14/44/1091671444.db2.gz XCJWVGUJMFLLPI-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2csc(Br)c2)C1 ZINC001206565980 1091671450 /nfs/dbraw/zinc/67/14/50/1091671450.db2.gz XCJWVGUJMFLLPI-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001206580552 1091676710 /nfs/dbraw/zinc/67/67/10/1091676710.db2.gz DRXYGYABELOXAQ-SFHVURJKSA-N 2 2 317.408 3.432 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001206580552 1091676716 /nfs/dbraw/zinc/67/67/16/1091676716.db2.gz DRXYGYABELOXAQ-SFHVURJKSA-N 2 2 317.408 3.432 20 0 DGADLP COc1c(F)ccc(F)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206592186 1091681622 /nfs/dbraw/zinc/68/16/22/1091681622.db2.gz XZUNCZIXOSOUEZ-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP COc1c(F)ccc(F)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206592186 1091681624 /nfs/dbraw/zinc/68/16/24/1091681624.db2.gz XZUNCZIXOSOUEZ-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP COc1cc(F)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206589559 1091681883 /nfs/dbraw/zinc/68/18/83/1091681883.db2.gz IAZCNJXFSYTYIY-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP COc1cc(F)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206589559 1091681884 /nfs/dbraw/zinc/68/18/84/1091681884.db2.gz IAZCNJXFSYTYIY-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP CN(c1ccc(F)cc1)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206736391 1091718883 /nfs/dbraw/zinc/71/88/83/1091718883.db2.gz DZUNITUJKXFPTN-UHFFFAOYSA-N 2 2 313.420 3.374 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001140023375 1091740720 /nfs/dbraw/zinc/74/07/20/1091740720.db2.gz MLSFPBSYNHRACE-UHFFFAOYSA-N 2 2 311.429 3.183 20 0 DGADLP COc1ccccc1S[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC001206796098 1091744085 /nfs/dbraw/zinc/74/40/85/1091744085.db2.gz QJJHCMIIQLOIHH-OAHLLOKOSA-N 2 2 317.458 3.104 20 0 DGADLP COc1ccccc1S[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC001206796098 1091744092 /nfs/dbraw/zinc/74/40/92/1091744092.db2.gz QJJHCMIIQLOIHH-OAHLLOKOSA-N 2 2 317.458 3.104 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+](C)CC12CCCC2 ZINC001140029455 1091744551 /nfs/dbraw/zinc/74/45/51/1091744551.db2.gz MPGMBKLQUWUJBJ-UHFFFAOYSA-N 2 2 324.472 3.241 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+](C)CC12CCCC2 ZINC001140029455 1091744559 /nfs/dbraw/zinc/74/45/59/1091744559.db2.gz MPGMBKLQUWUJBJ-UHFFFAOYSA-N 2 2 324.472 3.241 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810078 1091749108 /nfs/dbraw/zinc/74/91/08/1091749108.db2.gz MZMXBUWUEBJWFS-CHWSQXEVSA-N 2 2 312.404 3.311 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810078 1091749113 /nfs/dbraw/zinc/74/91/13/1091749113.db2.gz MZMXBUWUEBJWFS-CHWSQXEVSA-N 2 2 312.404 3.311 20 0 DGADLP C[NH+](C)CC(C)(C)CNc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001168769759 1091749399 /nfs/dbraw/zinc/74/93/99/1091749399.db2.gz ZDPVHFPWKGMHNR-UHFFFAOYSA-N 2 2 301.478 3.385 20 0 DGADLP COc1cccc([C@H]2CSCC[N@@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284764 1091911364 /nfs/dbraw/zinc/91/13/64/1091911364.db2.gz QLTOJZCBNNUVJC-QGZVFWFLSA-N 2 2 322.518 3.373 20 0 DGADLP COc1cccc([C@H]2CSCC[N@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284764 1091911369 /nfs/dbraw/zinc/91/13/69/1091911369.db2.gz QLTOJZCBNNUVJC-QGZVFWFLSA-N 2 2 322.518 3.373 20 0 DGADLP FC1(C2CC2)C[NH+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286654 1091912927 /nfs/dbraw/zinc/91/29/27/1091912927.db2.gz JXXYKPAUSQQIEA-UHFFFAOYSA-N 2 2 302.437 3.333 20 0 DGADLP COc1ccccc1CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001207454674 1091973373 /nfs/dbraw/zinc/97/33/73/1091973373.db2.gz PKBKKGRAAKSVKD-UHFFFAOYSA-N 2 2 312.413 3.176 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724920 1091974724 /nfs/dbraw/zinc/97/47/24/1091974724.db2.gz UINAWJPQRGQCFC-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724920 1091974730 /nfs/dbraw/zinc/97/47/30/1091974730.db2.gz UINAWJPQRGQCFC-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724920 1091974737 /nfs/dbraw/zinc/97/47/37/1091974737.db2.gz UINAWJPQRGQCFC-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724920 1091974743 /nfs/dbraw/zinc/97/47/43/1091974743.db2.gz UINAWJPQRGQCFC-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793284 1092001157 /nfs/dbraw/zinc/00/11/57/1092001157.db2.gz GCGYLELQSXEGHL-MRXNPFEDSA-N 2 2 318.804 3.402 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793284 1092001165 /nfs/dbraw/zinc/00/11/65/1092001165.db2.gz GCGYLELQSXEGHL-MRXNPFEDSA-N 2 2 318.804 3.402 20 0 DGADLP COCC[N@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207598597 1092034720 /nfs/dbraw/zinc/03/47/20/1092034720.db2.gz ILGBOJZUCKVBEN-UHFFFAOYSA-N 2 2 324.896 3.315 20 0 DGADLP COCC[N@@H+](CCCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207598597 1092034727 /nfs/dbraw/zinc/03/47/27/1092034727.db2.gz ILGBOJZUCKVBEN-UHFFFAOYSA-N 2 2 324.896 3.315 20 0 DGADLP CC1CCC([NH+]2CCN(Cc3ccn4cc[nH+]c4c3)CC2)CC1 ZINC001141044425 1092118848 /nfs/dbraw/zinc/11/88/48/1092118848.db2.gz JSFPYUSHZWQRGM-UHFFFAOYSA-N 2 2 312.461 3.031 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC001207845762 1092118845 /nfs/dbraw/zinc/11/88/45/1092118845.db2.gz MNIJVKNVPSDNPI-UHFFFAOYSA-N 2 2 312.379 3.418 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC001207845762 1092118847 /nfs/dbraw/zinc/11/88/47/1092118847.db2.gz MNIJVKNVPSDNPI-UHFFFAOYSA-N 2 2 312.379 3.418 20 0 DGADLP CC/C=C\CCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001208136175 1092211036 /nfs/dbraw/zinc/21/10/36/1092211036.db2.gz SRCHPQVMJWMZGC-ARJAWSKDSA-N 2 2 316.493 3.431 20 0 DGADLP CC/C=C\CCC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001208136175 1092211046 /nfs/dbraw/zinc/21/10/46/1092211046.db2.gz SRCHPQVMJWMZGC-ARJAWSKDSA-N 2 2 316.493 3.431 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590630 1092284688 /nfs/dbraw/zinc/28/46/88/1092284688.db2.gz HQJHPMGXNGRCEL-YVEFUNNKSA-N 2 2 303.837 3.347 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590630 1092284700 /nfs/dbraw/zinc/28/47/00/1092284700.db2.gz HQJHPMGXNGRCEL-YVEFUNNKSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590630 1092284709 /nfs/dbraw/zinc/28/47/09/1092284709.db2.gz HQJHPMGXNGRCEL-YVEFUNNKSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590630 1092284718 /nfs/dbraw/zinc/28/47/18/1092284718.db2.gz HQJHPMGXNGRCEL-YVEFUNNKSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3c2OCO3)C2CCCC2)CC1 ZINC001141962052 1092370129 /nfs/dbraw/zinc/37/01/29/1092370129.db2.gz QRYHYBVHEXRGFK-UHFFFAOYSA-N 2 2 316.445 3.254 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3c2OCO3)C2CCCC2)CC1 ZINC001141962052 1092370137 /nfs/dbraw/zinc/37/01/37/1092370137.db2.gz QRYHYBVHEXRGFK-UHFFFAOYSA-N 2 2 316.445 3.254 20 0 DGADLP COCC[N@H+](CCC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208668217 1092447433 /nfs/dbraw/zinc/44/74/33/1092447433.db2.gz VAYNGEYSSUCEAS-UHFFFAOYSA-N 2 2 318.505 3.397 20 0 DGADLP COCC[N@@H+](CCC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208668217 1092447439 /nfs/dbraw/zinc/44/74/39/1092447439.db2.gz VAYNGEYSSUCEAS-UHFFFAOYSA-N 2 2 318.505 3.397 20 0 DGADLP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727833 1092475940 /nfs/dbraw/zinc/47/59/40/1092475940.db2.gz JCDXZXWUIQBUQP-MYIWKSEUSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727833 1092475944 /nfs/dbraw/zinc/47/59/44/1092475944.db2.gz JCDXZXWUIQBUQP-MYIWKSEUSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208727833 1092475948 /nfs/dbraw/zinc/47/59/48/1092475948.db2.gz JCDXZXWUIQBUQP-MYIWKSEUSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208727833 1092475951 /nfs/dbraw/zinc/47/59/51/1092475951.db2.gz JCDXZXWUIQBUQP-MYIWKSEUSA-N 2 2 305.491 3.396 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1Br)C2 ZINC001169089613 1092538366 /nfs/dbraw/zinc/53/83/66/1092538366.db2.gz DQHVMMKXRIAFPK-BTTYYORXSA-N 2 2 309.251 3.164 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1Br)C2 ZINC001169089613 1092538378 /nfs/dbraw/zinc/53/83/78/1092538378.db2.gz DQHVMMKXRIAFPK-BTTYYORXSA-N 2 2 309.251 3.164 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119081 1092543509 /nfs/dbraw/zinc/54/35/09/1092543509.db2.gz PYFZUGANTHPLQR-HGTKMLMNSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119081 1092543518 /nfs/dbraw/zinc/54/35/18/1092543518.db2.gz PYFZUGANTHPLQR-HGTKMLMNSA-N 2 2 305.853 3.401 20 0 DGADLP CC1(C)C[C@@H](Nc2[nH+]cnc3[nH]cc(F)c32)C[C@@](C)(C[NH3+])C1 ZINC001169135647 1092548959 /nfs/dbraw/zinc/54/89/59/1092548959.db2.gz CHOPOFMCRUXIFZ-QLJPJBMISA-N 2 2 305.401 3.053 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001169148433 1092562474 /nfs/dbraw/zinc/56/24/74/1092562474.db2.gz YWWGFXNDTOCQBS-NMLBUPMWSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001169148433 1092562490 /nfs/dbraw/zinc/56/24/90/1092562490.db2.gz YWWGFXNDTOCQBS-NMLBUPMWSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148433 1092562500 /nfs/dbraw/zinc/56/25/00/1092562500.db2.gz YWWGFXNDTOCQBS-NMLBUPMWSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148433 1092562508 /nfs/dbraw/zinc/56/25/08/1092562508.db2.gz YWWGFXNDTOCQBS-NMLBUPMWSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001169148434 1092563139 /nfs/dbraw/zinc/56/31/39/1092563139.db2.gz YWWGFXNDTOCQBS-YRPNKDGESA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001169148434 1092563151 /nfs/dbraw/zinc/56/31/51/1092563151.db2.gz YWWGFXNDTOCQBS-YRPNKDGESA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148434 1092563168 /nfs/dbraw/zinc/56/31/68/1092563168.db2.gz YWWGFXNDTOCQBS-YRPNKDGESA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148434 1092563177 /nfs/dbraw/zinc/56/31/77/1092563177.db2.gz YWWGFXNDTOCQBS-YRPNKDGESA-N 2 2 314.473 3.168 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001169229599 1092601534 /nfs/dbraw/zinc/60/15/34/1092601534.db2.gz DDQBLYJNASCJLM-UHFFFAOYSA-N 2 2 301.459 3.384 20 0 DGADLP C[C@]1(F)CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943268 1092603049 /nfs/dbraw/zinc/60/30/49/1092603049.db2.gz TYILOYBKSADEBP-BZSNNMDCSA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943268 1092603054 /nfs/dbraw/zinc/60/30/54/1092603054.db2.gz TYILOYBKSADEBP-BZSNNMDCSA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943268 1092603055 /nfs/dbraw/zinc/60/30/55/1092603055.db2.gz TYILOYBKSADEBP-BZSNNMDCSA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943268 1092603059 /nfs/dbraw/zinc/60/30/59/1092603059.db2.gz TYILOYBKSADEBP-BZSNNMDCSA-N 2 2 308.416 3.281 20 0 DGADLP c1cn2cc(CN3CC[NH+](CC4CCCCC4)CC3)ccc2[nH+]1 ZINC001143018369 1092605767 /nfs/dbraw/zinc/60/57/67/1092605767.db2.gz IGANTRYBLUKBJF-UHFFFAOYSA-N 2 2 312.461 3.032 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946458 1092606774 /nfs/dbraw/zinc/60/67/74/1092606774.db2.gz VUTNCTRPPWFBRW-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946458 1092606779 /nfs/dbraw/zinc/60/67/79/1092606779.db2.gz VUTNCTRPPWFBRW-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946458 1092606785 /nfs/dbraw/zinc/60/67/85/1092606785.db2.gz VUTNCTRPPWFBRW-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946458 1092606788 /nfs/dbraw/zinc/60/67/88/1092606788.db2.gz VUTNCTRPPWFBRW-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3nccn3c2)CC1 ZINC001143035168 1092609476 /nfs/dbraw/zinc/60/94/76/1092609476.db2.gz GDAXOJSLQCXCIK-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3nccn3c2)CC1 ZINC001143035168 1092609480 /nfs/dbraw/zinc/60/94/80/1092609480.db2.gz GDAXOJSLQCXCIK-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnsc1)Cc1ccccc12 ZINC001276604346 1092611630 /nfs/dbraw/zinc/61/16/30/1092611630.db2.gz NOSYMCYNVKNFHM-UHFFFAOYSA-N 2 2 313.470 3.122 20 0 DGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnsc1)Cc1ccccc12 ZINC001276604346 1092611635 /nfs/dbraw/zinc/61/16/35/1092611635.db2.gz NOSYMCYNVKNFHM-UHFFFAOYSA-N 2 2 313.470 3.122 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209400823 1092757349 /nfs/dbraw/zinc/75/73/49/1092757349.db2.gz CHKBHLSQHDSNJC-YVSFHVDLSA-N 2 2 304.434 3.047 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209400823 1092757359 /nfs/dbraw/zinc/75/73/59/1092757359.db2.gz CHKBHLSQHDSNJC-YVSFHVDLSA-N 2 2 304.434 3.047 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209448522 1092778644 /nfs/dbraw/zinc/77/86/44/1092778644.db2.gz AAZONMGLWFHPSP-IBGZPJMESA-N 3 2 307.526 3.203 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209448522 1092778656 /nfs/dbraw/zinc/77/86/56/1092778656.db2.gz AAZONMGLWFHPSP-IBGZPJMESA-N 3 2 307.526 3.203 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453730 1092781389 /nfs/dbraw/zinc/78/13/89/1092781389.db2.gz LECKKIJTTUUJNG-GOSISDBHSA-N 2 2 300.446 3.067 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453730 1092781398 /nfs/dbraw/zinc/78/13/98/1092781398.db2.gz LECKKIJTTUUJNG-GOSISDBHSA-N 2 2 300.446 3.067 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2c(C)nc3ccccn32)CC1 ZINC001209653073 1092862841 /nfs/dbraw/zinc/86/28/41/1092862841.db2.gz HFYUTVUDVIVGLW-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2c(C)nc3ccccn32)CC1 ZINC001209653073 1092862849 /nfs/dbraw/zinc/86/28/49/1092862849.db2.gz HFYUTVUDVIVGLW-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670488 1092895693 /nfs/dbraw/zinc/89/56/93/1092895693.db2.gz DMAMATOKMNUWHP-SOLBZPMBSA-N 2 2 306.494 3.140 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670488 1092895704 /nfs/dbraw/zinc/89/57/04/1092895704.db2.gz DMAMATOKMNUWHP-SOLBZPMBSA-N 2 2 306.494 3.140 20 0 DGADLP CC1(C)C[C@H](C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670488 1092895708 /nfs/dbraw/zinc/89/57/08/1092895708.db2.gz DMAMATOKMNUWHP-SOLBZPMBSA-N 2 2 306.494 3.140 20 0 DGADLP CC1(C)C[C@H](C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670488 1092895716 /nfs/dbraw/zinc/89/57/16/1092895716.db2.gz DMAMATOKMNUWHP-SOLBZPMBSA-N 2 2 306.494 3.140 20 0 DGADLP Cc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)[nH]1 ZINC001276682558 1093131015 /nfs/dbraw/zinc/13/10/15/1093131015.db2.gz QKQGARWEFFLTSN-ZWKOTPCHSA-N 2 2 302.466 3.185 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC001210476678 1093181504 /nfs/dbraw/zinc/18/15/04/1093181504.db2.gz XJZNFOPDNYIYKY-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC001210476678 1093181517 /nfs/dbraw/zinc/18/15/17/1093181517.db2.gz XJZNFOPDNYIYKY-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3ccc(OC)cc3)s2)C1 ZINC001210561773 1093211280 /nfs/dbraw/zinc/21/12/80/1093211280.db2.gz RLOJTJOBEXTOGD-UHFFFAOYSA-N 2 2 302.443 3.075 20 0 DGADLP Cc1[nH]c2ccc(Nc3ccccc3N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001213073862 1093510609 /nfs/dbraw/zinc/51/06/09/1093510609.db2.gz YFSJCTZKHTXEQT-UHFFFAOYSA-N 2 2 321.428 3.367 20 0 DGADLP Cc1c[nH+]cc(Nc2c(F)cccc2N2CC[NH+](C)CC2)c1C ZINC001213534228 1093605970 /nfs/dbraw/zinc/60/59/70/1093605970.db2.gz SGGSYKUJQJNPKK-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404301652 1094253925 /nfs/dbraw/zinc/25/39/25/1094253925.db2.gz GKEBCBILODYOHM-FZMZJTMJSA-N 2 2 311.813 3.198 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404301652 1094253930 /nfs/dbraw/zinc/25/39/30/1094253930.db2.gz GKEBCBILODYOHM-FZMZJTMJSA-N 2 2 311.813 3.198 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Br)c1C ZINC001276753957 1094356806 /nfs/dbraw/zinc/35/68/06/1094356806.db2.gz BIRNLCADUSZPFY-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1C ZINC001276753957 1094356812 /nfs/dbraw/zinc/35/68/12/1094356812.db2.gz BIRNLCADUSZPFY-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C)c(C)[nH+]1 ZINC001135042673 1094373173 /nfs/dbraw/zinc/37/31/73/1094373173.db2.gz CAEUWILQBCOZMZ-HIFRSBDPSA-N 2 2 305.466 3.149 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001135043071 1094373238 /nfs/dbraw/zinc/37/32/38/1094373238.db2.gz GGZQVTRXVRPJDF-ZFWWWQNUSA-N 2 2 317.477 3.293 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC001218488969 1094819131 /nfs/dbraw/zinc/81/91/31/1094819131.db2.gz MRRMZUONAHCALO-IBGZPJMESA-N 2 2 305.381 3.310 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218808625 1094869590 /nfs/dbraw/zinc/86/95/90/1094869590.db2.gz HPDUNCFGGWJUSR-UGSOOPFHSA-N 2 2 311.429 3.411 20 0 DGADLP Cc1ccc2ccccc2c1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218812063 1094873780 /nfs/dbraw/zinc/87/37/80/1094873780.db2.gz LXKYXXSAIHVJMN-GOSISDBHSA-N 2 2 319.408 3.359 20 0 DGADLP Clc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001170947463 1094993774 /nfs/dbraw/zinc/99/37/74/1094993774.db2.gz XAQQPTCSVOMANC-MRXNPFEDSA-N 2 2 304.865 3.367 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246092572 1095008534 /nfs/dbraw/zinc/00/85/34/1095008534.db2.gz SQUFNQRWKGJCMR-WXHSDQCUSA-N 2 2 302.846 3.110 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)c1ccccc1 ZINC000313584807 1095013909 /nfs/dbraw/zinc/01/39/09/1095013909.db2.gz MRVYSVCTXGQBKE-IBGZPJMESA-N 2 2 312.457 3.220 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)c1ccccc1 ZINC000313584807 1095013919 /nfs/dbraw/zinc/01/39/19/1095013919.db2.gz MRVYSVCTXGQBKE-IBGZPJMESA-N 2 2 312.457 3.220 20 0 DGADLP Cc1[nH+]cn([C@H]2CCc3cccc(F)c3C2)c1CSCC[NH3+] ZINC001170955743 1095019013 /nfs/dbraw/zinc/01/90/13/1095019013.db2.gz PKLZDRNSMJFYTP-AWEZNQCLSA-N 2 2 319.449 3.253 20 0 DGADLP COc1cccc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)oc21 ZINC000315098353 1095087486 /nfs/dbraw/zinc/08/74/86/1095087486.db2.gz BZUHPFUEPGMBDW-UHFFFAOYSA-N 2 2 300.402 3.158 20 0 DGADLP Cc1cc(F)cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH+]1 ZINC001337853793 1095117959 /nfs/dbraw/zinc/11/79/59/1095117959.db2.gz DQQOVQOCWJUVEO-UHFFFAOYSA-N 2 2 314.408 3.446 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC001246287894 1095165010 /nfs/dbraw/zinc/16/50/10/1095165010.db2.gz KKQVCQVPNCBZJH-QWHCGFSZSA-N 2 2 315.230 3.208 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000316507092 1095176185 /nfs/dbraw/zinc/17/61/85/1095176185.db2.gz AXIISAIXEZHLPY-RHSMWYFYSA-N 2 2 301.434 3.224 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136941742 1095248030 /nfs/dbraw/zinc/24/80/30/1095248030.db2.gz FTOSBKDJEZYTGI-UHFFFAOYSA-N 2 2 312.404 3.247 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136941742 1095248046 /nfs/dbraw/zinc/24/80/46/1095248046.db2.gz FTOSBKDJEZYTGI-UHFFFAOYSA-N 2 2 312.404 3.247 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001143958267 1095449088 /nfs/dbraw/zinc/44/90/88/1095449088.db2.gz BCUTXXXNFJYGOS-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222147982 1095457689 /nfs/dbraw/zinc/45/76/89/1095457689.db2.gz GYHRACXAYSLFHE-LJQANCHMSA-N 2 2 313.420 3.192 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222147982 1095457692 /nfs/dbraw/zinc/45/76/92/1095457692.db2.gz GYHRACXAYSLFHE-LJQANCHMSA-N 2 2 313.420 3.192 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222149232 1095459718 /nfs/dbraw/zinc/45/97/18/1095459718.db2.gz WNDQNBMJVFSQQX-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222149232 1095459720 /nfs/dbraw/zinc/45/97/20/1095459720.db2.gz WNDQNBMJVFSQQX-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154471 1095460974 /nfs/dbraw/zinc/46/09/74/1095460974.db2.gz NLIJHEVTNNLWEH-INIZCTEOSA-N 2 2 314.351 3.003 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154471 1095460987 /nfs/dbraw/zinc/46/09/87/1095460987.db2.gz NLIJHEVTNNLWEH-INIZCTEOSA-N 2 2 314.351 3.003 20 0 DGADLP Clc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cnc2ccccc12 ZINC001222153901 1095461544 /nfs/dbraw/zinc/46/15/44/1095461544.db2.gz CJKPTRPFJRWDBP-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cnc2ccccc12 ZINC001222153901 1095461545 /nfs/dbraw/zinc/46/15/45/1095461545.db2.gz CJKPTRPFJRWDBP-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP CC(C)Oc1c(F)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222155173 1095463461 /nfs/dbraw/zinc/46/34/61/1095463461.db2.gz XESUJOZPIBKQNA-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1c(F)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222155173 1095463464 /nfs/dbraw/zinc/46/34/64/1095463464.db2.gz XESUJOZPIBKQNA-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162113 1095469539 /nfs/dbraw/zinc/46/95/39/1095469539.db2.gz YNDMPDNYYKOYPO-LJQANCHMSA-N 3 2 307.526 3.108 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162113 1095469534 /nfs/dbraw/zinc/46/95/34/1095469534.db2.gz YNDMPDNYYKOYPO-LJQANCHMSA-N 3 2 307.526 3.108 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150599 1095470586 /nfs/dbraw/zinc/47/05/86/1095470586.db2.gz SUVZMJVKRXGFQA-MSOLQXFVSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150599 1095470590 /nfs/dbraw/zinc/47/05/90/1095470590.db2.gz SUVZMJVKRXGFQA-MSOLQXFVSA-N 2 2 322.880 3.324 20 0 DGADLP Oc1cnc(Cl)cc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167512 1095473977 /nfs/dbraw/zinc/47/39/77/1095473977.db2.gz MWOXMZVUCADVJT-KRWDZBQOSA-N 2 2 323.868 3.186 20 0 DGADLP Oc1cnc(Cl)cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167512 1095473981 /nfs/dbraw/zinc/47/39/81/1095473981.db2.gz MWOXMZVUCADVJT-KRWDZBQOSA-N 2 2 323.868 3.186 20 0 DGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237383 1095505076 /nfs/dbraw/zinc/50/50/76/1095505076.db2.gz HJRVTWHOQXZFGO-OAHLLOKOSA-N 2 2 314.351 3.303 20 0 DGADLP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237383 1095505080 /nfs/dbraw/zinc/50/50/80/1095505080.db2.gz HJRVTWHOQXZFGO-OAHLLOKOSA-N 2 2 314.351 3.303 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237066 1095505649 /nfs/dbraw/zinc/50/56/49/1095505649.db2.gz DWERBJNZZKHASO-KRWDZBQOSA-N 2 2 310.388 3.049 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237066 1095505658 /nfs/dbraw/zinc/50/56/58/1095505658.db2.gz DWERBJNZZKHASO-KRWDZBQOSA-N 2 2 310.388 3.049 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237067 1095506431 /nfs/dbraw/zinc/50/64/31/1095506431.db2.gz DWERBJNZZKHASO-QGZVFWFLSA-N 2 2 310.388 3.049 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237067 1095506440 /nfs/dbraw/zinc/50/64/40/1095506440.db2.gz DWERBJNZZKHASO-QGZVFWFLSA-N 2 2 310.388 3.049 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264492 1095518725 /nfs/dbraw/zinc/51/87/25/1095518725.db2.gz BOIGOQFPJWQMHT-HXUWFJFHSA-N 3 2 324.472 3.146 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264492 1095518737 /nfs/dbraw/zinc/51/87/37/1095518737.db2.gz BOIGOQFPJWQMHT-HXUWFJFHSA-N 3 2 324.472 3.146 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222282437 1095527527 /nfs/dbraw/zinc/52/75/27/1095527527.db2.gz JFBHECFCLKXNCP-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1cccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222282437 1095527538 /nfs/dbraw/zinc/52/75/38/1095527538.db2.gz JFBHECFCLKXNCP-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP COc1cc(F)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222314520 1095546645 /nfs/dbraw/zinc/54/66/45/1095546645.db2.gz HBBCYOMSMBYHAJ-QGZVFWFLSA-N 2 2 310.388 3.082 20 0 DGADLP COc1cc(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222314520 1095546651 /nfs/dbraw/zinc/54/66/51/1095546651.db2.gz HBBCYOMSMBYHAJ-QGZVFWFLSA-N 2 2 310.388 3.082 20 0 DGADLP CCc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001144321594 1095603608 /nfs/dbraw/zinc/60/36/08/1095603608.db2.gz RQCXLPVTRKGKOT-WOJBJXKFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001144321815 1095604562 /nfs/dbraw/zinc/60/45/62/1095604562.db2.gz ZWCNJSFPFBXMGS-NHCUHLMSSA-N 2 2 321.468 3.208 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC001116828057 1095672777 /nfs/dbraw/zinc/67/27/77/1095672777.db2.gz WPRLHEHIIYBFHL-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC001116828057 1095672784 /nfs/dbraw/zinc/67/27/84/1095672784.db2.gz WPRLHEHIIYBFHL-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP COc1cccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001137536534 1095676857 /nfs/dbraw/zinc/67/68/57/1095676857.db2.gz JPFBFQWYVBUCAR-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001137536534 1095676865 /nfs/dbraw/zinc/67/68/65/1095676865.db2.gz JPFBFQWYVBUCAR-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001116845537 1095678400 /nfs/dbraw/zinc/67/84/00/1095678400.db2.gz UMJWKBZOIAAMNB-WMZOPIPTSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001116845537 1095678404 /nfs/dbraw/zinc/67/84/04/1095678404.db2.gz UMJWKBZOIAAMNB-WMZOPIPTSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001116845534 1095678768 /nfs/dbraw/zinc/67/87/68/1095678768.db2.gz UMJWKBZOIAAMNB-AEFFLSMTSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001116845534 1095678774 /nfs/dbraw/zinc/67/87/74/1095678774.db2.gz UMJWKBZOIAAMNB-AEFFLSMTSA-N 2 2 309.457 3.405 20 0 DGADLP Cc1c(Br)ccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC001222620722 1095698252 /nfs/dbraw/zinc/69/82/52/1095698252.db2.gz YJCWPCCYVPZTPI-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1c(Br)ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC001222620722 1095698265 /nfs/dbraw/zinc/69/82/65/1095698265.db2.gz YJCWPCCYVPZTPI-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001137680228 1095709305 /nfs/dbraw/zinc/70/93/05/1095709305.db2.gz SQJSCBADVKXHOU-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001137680228 1095709313 /nfs/dbraw/zinc/70/93/13/1095709313.db2.gz SQJSCBADVKXHOU-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001137849483 1095765069 /nfs/dbraw/zinc/76/50/69/1095765069.db2.gz RWZWLSGRUAGCBB-RTBURBONSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001137858952 1095770540 /nfs/dbraw/zinc/77/05/40/1095770540.db2.gz BKKUHVFCHSDRSM-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001137858952 1095770549 /nfs/dbraw/zinc/77/05/49/1095770549.db2.gz BKKUHVFCHSDRSM-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP CC[NH+](CC)CC[C@@H](Nc1cc(CO)cc[nH+]1)c1ccccc1 ZINC001340015386 1095816374 /nfs/dbraw/zinc/81/63/74/1095816374.db2.gz ZMYABLLTRCRTAM-GOSISDBHSA-N 2 2 313.445 3.459 20 0 DGADLP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001340055817 1095839499 /nfs/dbraw/zinc/83/94/99/1095839499.db2.gz DQSOVEBTROTKRM-ZBEGNZNMSA-N 2 2 314.433 3.396 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(Cl)n1 ZINC001117990581 1095915552 /nfs/dbraw/zinc/91/55/52/1095915552.db2.gz AXHIOMIHISTSBS-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(Cl)n1 ZINC001117990581 1095915561 /nfs/dbraw/zinc/91/55/61/1095915561.db2.gz AXHIOMIHISTSBS-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001118103322 1095936755 /nfs/dbraw/zinc/93/67/55/1095936755.db2.gz SDEVOGQVPBPLTE-CHWSQXEVSA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001118103322 1095936758 /nfs/dbraw/zinc/93/67/58/1095936758.db2.gz SDEVOGQVPBPLTE-CHWSQXEVSA-N 2 2 316.276 3.259 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)n1 ZINC001118558474 1096034152 /nfs/dbraw/zinc/03/41/52/1096034152.db2.gz PLJQEIONNZYQNA-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)n1 ZINC001118558474 1096034162 /nfs/dbraw/zinc/03/41/62/1096034162.db2.gz PLJQEIONNZYQNA-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccnc(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC001118804423 1096081550 /nfs/dbraw/zinc/08/15/50/1096081550.db2.gz KBYDKQWGSCWPOS-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccnc(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC001118804423 1096081561 /nfs/dbraw/zinc/08/15/61/1096081561.db2.gz KBYDKQWGSCWPOS-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712990 1096093594 /nfs/dbraw/zinc/09/35/94/1096093594.db2.gz GNAUCBKBLRXAIK-DLBZAZTESA-N 2 2 322.497 3.117 20 0 DGADLP Fc1ccc(/C=C\C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001119517242 1096218997 /nfs/dbraw/zinc/21/89/97/1096218997.db2.gz PVVCYEZGJKBFES-UPHRSURJSA-N 2 2 318.436 3.072 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001171355161 1096525694 /nfs/dbraw/zinc/52/56/94/1096525694.db2.gz PSECBNDWHVIAMV-IRXDYDNUSA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001171355161 1096525702 /nfs/dbraw/zinc/52/57/02/1096525702.db2.gz PSECBNDWHVIAMV-IRXDYDNUSA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001171356221 1096527727 /nfs/dbraw/zinc/52/77/27/1096527727.db2.gz YARJBVSGBUEORL-HZPDHXFCSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001171356221 1096527733 /nfs/dbraw/zinc/52/77/33/1096527733.db2.gz YARJBVSGBUEORL-HZPDHXFCSA-N 2 2 320.427 3.429 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(CN(c3cc[nH+]c(OC)c3)C2)C1 ZINC001277073593 1096532665 /nfs/dbraw/zinc/53/26/65/1096532665.db2.gz RXPMVGMOAXUKOZ-MRXNPFEDSA-N 2 2 317.477 3.429 20 0 DGADLP Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171411103 1096696968 /nfs/dbraw/zinc/69/69/68/1096696968.db2.gz DOPKBESAYHOCTA-HZPDHXFCSA-N 2 2 302.437 3.290 20 0 DGADLP Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171411103 1096696971 /nfs/dbraw/zinc/69/69/71/1096696971.db2.gz DOPKBESAYHOCTA-HZPDHXFCSA-N 2 2 302.437 3.290 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001171464417 1096893340 /nfs/dbraw/zinc/89/33/40/1096893340.db2.gz AGGIOHDLZFBJDQ-SJORKVTESA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001171464417 1096893346 /nfs/dbraw/zinc/89/33/46/1096893346.db2.gz AGGIOHDLZFBJDQ-SJORKVTESA-N 2 2 320.427 3.286 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546972 1096911908 /nfs/dbraw/zinc/91/19/08/1096911908.db2.gz NDOQIQGJCGEJIQ-ZDUSSCGKSA-N 2 2 323.362 3.180 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546972 1096911915 /nfs/dbraw/zinc/91/19/15/1096911915.db2.gz NDOQIQGJCGEJIQ-ZDUSSCGKSA-N 2 2 323.362 3.180 20 0 DGADLP CCOC(=O)[C@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639295 1096949212 /nfs/dbraw/zinc/94/92/12/1096949212.db2.gz DIGNHZMABFMYKG-OAHLLOKOSA-N 2 2 310.482 3.055 20 0 DGADLP CCOC(=O)[C@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639295 1096949216 /nfs/dbraw/zinc/94/92/16/1096949216.db2.gz DIGNHZMABFMYKG-OAHLLOKOSA-N 2 2 310.482 3.055 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171795558 1096979849 /nfs/dbraw/zinc/97/98/49/1096979849.db2.gz YTTROSCNSKGRCJ-HNNXBMFYSA-N 2 2 312.388 3.231 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171811940 1096985021 /nfs/dbraw/zinc/98/50/21/1096985021.db2.gz JIZPWKBMTDSIHK-JKSUJKDBSA-N 2 2 312.388 3.150 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171811940 1096985029 /nfs/dbraw/zinc/98/50/29/1096985029.db2.gz JIZPWKBMTDSIHK-JKSUJKDBSA-N 2 2 312.388 3.150 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cncnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972874 1097021195 /nfs/dbraw/zinc/02/11/95/1097021195.db2.gz TWBNGZBPWHYVKW-SFHVURJKSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cncnc2)CC[N@H+]1Cc1ccccc1 ZINC001171972874 1097021200 /nfs/dbraw/zinc/02/12/00/1097021200.db2.gz TWBNGZBPWHYVKW-SFHVURJKSA-N 2 2 310.445 3.009 20 0 DGADLP CC(C)(O)[C@H](F)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977999 1097024853 /nfs/dbraw/zinc/02/48/53/1097024853.db2.gz IIVRMWDXBDWAFE-DLBZAZTESA-N 2 2 322.468 3.128 20 0 DGADLP CC(C)(O)[C@H](F)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977999 1097024858 /nfs/dbraw/zinc/02/48/58/1097024858.db2.gz IIVRMWDXBDWAFE-DLBZAZTESA-N 2 2 322.468 3.128 20 0 DGADLP C[N@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1(C)COC1 ZINC001172082876 1097039373 /nfs/dbraw/zinc/03/93/73/1097039373.db2.gz MUZHCEBRAMCYOW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1(C)COC1 ZINC001172082876 1097039378 /nfs/dbraw/zinc/03/93/78/1097039378.db2.gz MUZHCEBRAMCYOW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP C[NH+]([C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(C)COC1 ZINC001172082876 1097039384 /nfs/dbraw/zinc/03/93/84/1097039384.db2.gz MUZHCEBRAMCYOW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP C[NH+]([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(C)COC1 ZINC001172082876 1097039391 /nfs/dbraw/zinc/03/93/91/1097039391.db2.gz MUZHCEBRAMCYOW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1(C)COC1 ZINC001172082874 1097039939 /nfs/dbraw/zinc/03/99/39/1097039939.db2.gz MUZHCEBRAMCYOW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1(C)COC1 ZINC001172082874 1097039946 /nfs/dbraw/zinc/03/99/46/1097039946.db2.gz MUZHCEBRAMCYOW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(C)COC1 ZINC001172082874 1097039950 /nfs/dbraw/zinc/03/99/50/1097039950.db2.gz MUZHCEBRAMCYOW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(C)COC1 ZINC001172082874 1097039958 /nfs/dbraw/zinc/03/99/58/1097039958.db2.gz MUZHCEBRAMCYOW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP COc1ccc(F)c(F)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107416 1097054654 /nfs/dbraw/zinc/05/46/54/1097054654.db2.gz XFCMTGFMGZCWCT-CLLJXQQHSA-N 2 2 310.388 3.078 20 0 DGADLP COc1ccc(F)c(F)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107416 1097054657 /nfs/dbraw/zinc/05/46/57/1097054657.db2.gz XFCMTGFMGZCWCT-CLLJXQQHSA-N 2 2 310.388 3.078 20 0 DGADLP Cc1[nH+]cn([C@H]2CSc3ccccc3C2)c1CSCC[NH3+] ZINC001172188448 1097068896 /nfs/dbraw/zinc/06/88/96/1097068896.db2.gz SWAXRHHQGBANQM-CQSZACIVSA-N 2 2 319.499 3.273 20 0 DGADLP COCCC[NH+]1CCC([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC001172250911 1097091678 /nfs/dbraw/zinc/09/16/78/1097091678.db2.gz ZLDVLLSFQKIOFP-UHFFFAOYSA-N 2 2 320.452 3.295 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2Cl)CC1 ZINC001172250849 1097092477 /nfs/dbraw/zinc/09/24/77/1097092477.db2.gz YBHFFLZKYNIGLD-UHFFFAOYSA-N 2 2 310.869 3.239 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@H]1C ZINC001172373166 1097110599 /nfs/dbraw/zinc/11/05/99/1097110599.db2.gz LEEOBDWIFYVKCE-JGLNRKDHSA-N 2 2 313.489 3.270 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001172359966 1097125090 /nfs/dbraw/zinc/12/50/90/1097125090.db2.gz ISFJHPQMWXQJSX-IKGGRYGDSA-N 2 2 306.450 3.437 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001172359966 1097125092 /nfs/dbraw/zinc/12/50/92/1097125092.db2.gz ISFJHPQMWXQJSX-IKGGRYGDSA-N 2 2 306.450 3.437 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001172401237 1097145224 /nfs/dbraw/zinc/14/52/24/1097145224.db2.gz KYNZTJRUVDXWET-ZHALLVOQSA-N 2 2 301.478 3.270 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)CCOCC(C)C)C1 ZINC001172482386 1097151501 /nfs/dbraw/zinc/15/15/01/1097151501.db2.gz XYRVNUQDZKKIIY-SJORKVTESA-N 2 2 306.450 3.294 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)CCOCC(C)C)C1 ZINC001172482386 1097151505 /nfs/dbraw/zinc/15/15/05/1097151505.db2.gz XYRVNUQDZKKIIY-SJORKVTESA-N 2 2 306.450 3.294 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863155 1097266586 /nfs/dbraw/zinc/26/65/86/1097266586.db2.gz UQMMZOVSSWCVFU-MELADBBJSA-N 2 2 310.844 3.294 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863155 1097266591 /nfs/dbraw/zinc/26/65/91/1097266591.db2.gz UQMMZOVSSWCVFU-MELADBBJSA-N 2 2 310.844 3.294 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863155 1097266594 /nfs/dbraw/zinc/26/65/94/1097266594.db2.gz UQMMZOVSSWCVFU-MELADBBJSA-N 2 2 310.844 3.294 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863155 1097266600 /nfs/dbraw/zinc/26/66/00/1097266600.db2.gz UQMMZOVSSWCVFU-MELADBBJSA-N 2 2 310.844 3.294 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173045358 1097311068 /nfs/dbraw/zinc/31/10/68/1097311068.db2.gz UXKDQDSDYWABEQ-KRWDZBQOSA-N 2 2 308.510 3.436 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173045358 1097311072 /nfs/dbraw/zinc/31/10/72/1097311072.db2.gz UXKDQDSDYWABEQ-KRWDZBQOSA-N 2 2 308.510 3.436 20 0 DGADLP CCC[NH+](CCC)[C@H]1CCc2cccc(OC3C[NH+](C)C3)c2C1 ZINC001229647593 1097358791 /nfs/dbraw/zinc/35/87/91/1097358791.db2.gz LJVMXAGUHMGXRZ-KRWDZBQOSA-N 2 2 316.489 3.359 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206644 1097379936 /nfs/dbraw/zinc/37/99/36/1097379936.db2.gz UCJDJVDLUBKONQ-OQUMVOOASA-N 2 2 314.473 3.403 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206644 1097379938 /nfs/dbraw/zinc/37/99/38/1097379938.db2.gz UCJDJVDLUBKONQ-OQUMVOOASA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206644 1097379940 /nfs/dbraw/zinc/37/99/40/1097379940.db2.gz UCJDJVDLUBKONQ-OQUMVOOASA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206644 1097379941 /nfs/dbraw/zinc/37/99/41/1097379941.db2.gz UCJDJVDLUBKONQ-OQUMVOOASA-N 2 2 314.473 3.403 20 0 DGADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277361 1097410134 /nfs/dbraw/zinc/41/01/34/1097410134.db2.gz KGCYWISBJJLEFW-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277361 1097410138 /nfs/dbraw/zinc/41/01/38/1097410138.db2.gz KGCYWISBJJLEFW-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277361 1097410140 /nfs/dbraw/zinc/41/01/40/1097410140.db2.gz KGCYWISBJJLEFW-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277361 1097410143 /nfs/dbraw/zinc/41/01/43/1097410143.db2.gz KGCYWISBJJLEFW-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277451454 1097465247 /nfs/dbraw/zinc/46/52/47/1097465247.db2.gz BFDGUPLCHROFTP-QFBILLFUSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277451454 1097465255 /nfs/dbraw/zinc/46/52/55/1097465255.db2.gz BFDGUPLCHROFTP-QFBILLFUSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277451454 1097465258 /nfs/dbraw/zinc/46/52/58/1097465258.db2.gz BFDGUPLCHROFTP-QFBILLFUSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277451454 1097465262 /nfs/dbraw/zinc/46/52/62/1097465262.db2.gz BFDGUPLCHROFTP-QFBILLFUSA-N 2 2 318.509 3.241 20 0 DGADLP C[NH+](C)CC[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)c1ccccc1 ZINC001230919960 1097622110 /nfs/dbraw/zinc/62/21/10/1097622110.db2.gz HRQLATSYAWLHGE-LJQANCHMSA-N 2 2 324.424 3.439 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001231653607 1097802617 /nfs/dbraw/zinc/80/26/17/1097802617.db2.gz VBZAPSQERSGKIA-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001231653607 1097802624 /nfs/dbraw/zinc/80/26/24/1097802624.db2.gz VBZAPSQERSGKIA-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP Fc1ccc(C[NH+]2CCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232011455 1097916931 /nfs/dbraw/zinc/91/69/31/1097916931.db2.gz LIGFIOIYHJXAHL-UHFFFAOYSA-N 2 2 324.403 3.020 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc3ncccc3[nH]2)C2CCCC2)CC1 ZINC001232066336 1097929325 /nfs/dbraw/zinc/92/93/25/1097929325.db2.gz BNRBKGHNHBWVLL-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc3ncccc3[nH]2)C2CCCC2)CC1 ZINC001232066336 1097929329 /nfs/dbraw/zinc/92/93/29/1097929329.db2.gz BNRBKGHNHBWVLL-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC001232147774 1097949352 /nfs/dbraw/zinc/94/93/52/1097949352.db2.gz UIHHHAJYLHZEKJ-UHFFFAOYSA-N 2 2 314.404 3.282 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC001232147774 1097949364 /nfs/dbraw/zinc/94/93/64/1097949364.db2.gz UIHHHAJYLHZEKJ-UHFFFAOYSA-N 2 2 314.404 3.282 20 0 DGADLP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001277625302 1097959020 /nfs/dbraw/zinc/95/90/20/1097959020.db2.gz UGBVQKRSTJEVMT-NSHGMRRFSA-N 2 2 321.553 3.303 20 0 DGADLP CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](C1CC[NH+](C)CC1)C2 ZINC001277625302 1097959027 /nfs/dbraw/zinc/95/90/27/1097959027.db2.gz UGBVQKRSTJEVMT-NSHGMRRFSA-N 2 2 321.553 3.303 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cnsc3)CC2)c2ccccc2[nH+]1 ZINC001232225205 1097973519 /nfs/dbraw/zinc/97/35/19/1097973519.db2.gz WUZAWBKSSYIOPE-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP CN(C)c1ccc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c[nH+]1 ZINC001175346269 1098002908 /nfs/dbraw/zinc/00/29/08/1098002908.db2.gz PSWIULDGSSEDMK-MRXNPFEDSA-N 2 2 312.417 3.276 20 0 DGADLP C[C@@]12C[NH+](Cc3cccnc3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001175381254 1098029902 /nfs/dbraw/zinc/02/99/02/1098029902.db2.gz FPIDPHJVRYKVFV-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@@]12C[NH+](Cc3cccnc3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001175381254 1098029907 /nfs/dbraw/zinc/02/99/07/1098029907.db2.gz FPIDPHJVRYKVFV-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](Cc1cccnc1)C2 ZINC001175381254 1098029916 /nfs/dbraw/zinc/02/99/16/1098029916.db2.gz FPIDPHJVRYKVFV-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](Cc1cccnc1)C2 ZINC001175381254 1098029922 /nfs/dbraw/zinc/02/99/22/1098029922.db2.gz FPIDPHJVRYKVFV-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP Clc1ccnc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c21 ZINC001232463445 1098044886 /nfs/dbraw/zinc/04/48/86/1098044886.db2.gz KKMPXDSUPVJTIL-UHFFFAOYSA-N 2 2 315.808 3.250 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)c[nH+]1 ZINC001232465405 1098046220 /nfs/dbraw/zinc/04/62/20/1098046220.db2.gz LTVNVONNVHMGHC-FQEVSTJZSA-N 2 2 324.472 3.347 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)c[nH+]1 ZINC001232465405 1098046225 /nfs/dbraw/zinc/04/62/25/1098046225.db2.gz LTVNVONNVHMGHC-FQEVSTJZSA-N 2 2 324.472 3.347 20 0 DGADLP Cc1[nH]cc(CN2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)[nH+]1 ZINC001232465405 1098046231 /nfs/dbraw/zinc/04/62/31/1098046231.db2.gz LTVNVONNVHMGHC-FQEVSTJZSA-N 2 2 324.472 3.347 20 0 DGADLP Cc1[nH]cc(CN2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)[nH+]1 ZINC001232465405 1098046235 /nfs/dbraw/zinc/04/62/35/1098046235.db2.gz LTVNVONNVHMGHC-FQEVSTJZSA-N 2 2 324.472 3.347 20 0 DGADLP C[N@@H+](Cc1cc(F)ccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232493883 1098059095 /nfs/dbraw/zinc/05/90/95/1098059095.db2.gz FARPIDAYZFREAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1cc(F)ccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232493883 1098059100 /nfs/dbraw/zinc/05/91/00/1098059100.db2.gz FARPIDAYZFREAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cc(F)ccn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001232493883 1098059107 /nfs/dbraw/zinc/05/91/07/1098059107.db2.gz FARPIDAYZFREAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cc(F)ccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232493883 1098059111 /nfs/dbraw/zinc/05/91/11/1098059111.db2.gz FARPIDAYZFREAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503669 1098074247 /nfs/dbraw/zinc/07/42/47/1098074247.db2.gz SJBJQHYXLDKCMB-IRXDYDNUSA-N 2 2 322.497 3.289 20 0 DGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643766 1098112883 /nfs/dbraw/zinc/11/28/83/1098112883.db2.gz GJRUQBLTVMGKKB-HOTGVXAUSA-N 2 2 322.497 3.043 20 0 DGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643766 1098112886 /nfs/dbraw/zinc/11/28/86/1098112886.db2.gz GJRUQBLTVMGKKB-HOTGVXAUSA-N 2 2 322.497 3.043 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccnc(Cl)c3C)CC2)cc[nH+]1 ZINC001232755370 1098130211 /nfs/dbraw/zinc/13/02/11/1098130211.db2.gz RLCJGLANPLXKCZ-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP Clc1cc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2cn1 ZINC001232817689 1098144394 /nfs/dbraw/zinc/14/43/94/1098144394.db2.gz GGXOTJSLHLEIHB-UHFFFAOYSA-N 2 2 318.852 3.277 20 0 DGADLP CC(C)[N@H+](Cc1[nH]nc2cc(F)ccc21)C1CC[NH+](C)CC1 ZINC001233129138 1098233743 /nfs/dbraw/zinc/23/37/43/1098233743.db2.gz XDUWTUNYPUNUMN-UHFFFAOYSA-N 2 2 304.413 3.007 20 0 DGADLP CC(C)[N@@H+](Cc1[nH]nc2cc(F)ccc21)C1CC[NH+](C)CC1 ZINC001233129138 1098233747 /nfs/dbraw/zinc/23/37/47/1098233747.db2.gz XDUWTUNYPUNUMN-UHFFFAOYSA-N 2 2 304.413 3.007 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cnc1C ZINC001233162057 1098240018 /nfs/dbraw/zinc/24/00/18/1098240018.db2.gz PXWPBMWSUUUODT-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001233233854 1098259821 /nfs/dbraw/zinc/25/98/21/1098259821.db2.gz SAUMOVLAOWHUGL-WOJBJXKFSA-N 2 2 322.452 3.264 20 0 DGADLP C[NH+](C)CCn1cc(Nc2ccc([NH+]3CCCCC3)cc2)cn1 ZINC001176447629 1098351652 /nfs/dbraw/zinc/35/16/52/1098351652.db2.gz OIECPVKHVLRTOV-UHFFFAOYSA-N 2 2 313.449 3.179 20 0 DGADLP CCOC(OCC)c1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC001234860911 1098687031 /nfs/dbraw/zinc/68/70/31/1098687031.db2.gz QEPICSFVTGLLMM-UHFFFAOYSA-N 2 2 320.477 3.284 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC001234992312 1098735468 /nfs/dbraw/zinc/73/54/68/1098735468.db2.gz IFYGLFAOCVVPLL-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC001234992312 1098735478 /nfs/dbraw/zinc/73/54/78/1098735478.db2.gz IFYGLFAOCVVPLL-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997206 1098741095 /nfs/dbraw/zinc/74/10/95/1098741095.db2.gz IRHFOSOZOOQZTR-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997206 1098741099 /nfs/dbraw/zinc/74/10/99/1098741099.db2.gz IRHFOSOZOOQZTR-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC001235000285 1098742516 /nfs/dbraw/zinc/74/25/16/1098742516.db2.gz QGPCFPMFPDRWBZ-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC001235000285 1098742523 /nfs/dbraw/zinc/74/25/23/1098742523.db2.gz QGPCFPMFPDRWBZ-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235007091 1098748712 /nfs/dbraw/zinc/74/87/12/1098748712.db2.gz SLHMBBQXXSHKLK-PZJWPPBQSA-N 2 2 321.468 3.213 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235007091 1098748718 /nfs/dbraw/zinc/74/87/18/1098748718.db2.gz SLHMBBQXXSHKLK-PZJWPPBQSA-N 2 2 321.468 3.213 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235019601 1098752330 /nfs/dbraw/zinc/75/23/30/1098752330.db2.gz BUVKIMBLICYASB-SFHVURJKSA-N 2 2 322.880 3.159 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235019601 1098752342 /nfs/dbraw/zinc/75/23/42/1098752342.db2.gz BUVKIMBLICYASB-SFHVURJKSA-N 2 2 322.880 3.159 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc(OC(C)C)c1 ZINC001235027169 1098757794 /nfs/dbraw/zinc/75/77/94/1098757794.db2.gz VZANQMRGEZETEH-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc(OC(C)C)c1 ZINC001235027169 1098757804 /nfs/dbraw/zinc/75/78/04/1098757804.db2.gz VZANQMRGEZETEH-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP c1ccc(COc2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235024843 1098758002 /nfs/dbraw/zinc/75/80/02/1098758002.db2.gz QBKHFCRTSJZFOH-UHFFFAOYSA-N 2 2 308.425 3.061 20 0 DGADLP c1ccc(COc2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235024843 1098758012 /nfs/dbraw/zinc/75/80/12/1098758012.db2.gz QBKHFCRTSJZFOH-UHFFFAOYSA-N 2 2 308.425 3.061 20 0 DGADLP Fc1ccccc1-c1cc(C[N@H+]2CCc3[nH+]ccn3CC2)c[nH]1 ZINC001235041550 1098768704 /nfs/dbraw/zinc/76/87/04/1098768704.db2.gz DZBIRWMVCNERCA-UHFFFAOYSA-N 2 2 310.376 3.076 20 0 DGADLP Fc1ccccc1-c1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)c[nH]1 ZINC001235041550 1098768716 /nfs/dbraw/zinc/76/87/16/1098768716.db2.gz DZBIRWMVCNERCA-UHFFFAOYSA-N 2 2 310.376 3.076 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048420 1098773806 /nfs/dbraw/zinc/77/38/06/1098773806.db2.gz XYRVEBPAKWASHM-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048420 1098773814 /nfs/dbraw/zinc/77/38/14/1098773814.db2.gz XYRVEBPAKWASHM-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP CCCCCCc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235060777 1098779646 /nfs/dbraw/zinc/77/96/46/1098779646.db2.gz HAEPSCIYHZHONS-GOSISDBHSA-N 2 2 321.534 3.008 20 0 DGADLP CCCCCCc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235060777 1098779656 /nfs/dbraw/zinc/77/96/56/1098779656.db2.gz HAEPSCIYHZHONS-GOSISDBHSA-N 2 2 321.534 3.008 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235120823 1098821732 /nfs/dbraw/zinc/82/17/32/1098821732.db2.gz OCYKNEPLGUCEJH-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235120823 1098821740 /nfs/dbraw/zinc/82/17/40/1098821740.db2.gz OCYKNEPLGUCEJH-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235144738 1098835193 /nfs/dbraw/zinc/83/51/93/1098835193.db2.gz OHKOJFFDVUCJOY-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235144738 1098835197 /nfs/dbraw/zinc/83/51/97/1098835197.db2.gz OHKOJFFDVUCJOY-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC001235184343 1098863614 /nfs/dbraw/zinc/86/36/14/1098863614.db2.gz JJMOZUGJLKTCCC-CJNGLKHVSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC001235184343 1098863628 /nfs/dbraw/zinc/86/36/28/1098863628.db2.gz JJMOZUGJLKTCCC-CJNGLKHVSA-N 2 2 315.848 3.238 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1coc3ccccc13)C2 ZINC001235226044 1098899993 /nfs/dbraw/zinc/89/99/93/1098899993.db2.gz XIUVDWFRQQQXAI-WFASDCNBSA-N 2 2 310.319 3.017 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1coc3ccccc13)C2 ZINC001235226044 1098900010 /nfs/dbraw/zinc/90/00/10/1098900010.db2.gz XIUVDWFRQQQXAI-WFASDCNBSA-N 2 2 310.319 3.017 20 0 DGADLP CC1(C)CCc2cc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)ccc2O1 ZINC001235245971 1098918939 /nfs/dbraw/zinc/91/89/39/1098918939.db2.gz RZZFYFCMMWPHDG-VQIMIIECSA-N 2 2 300.446 3.103 20 0 DGADLP CC1(C)CCc2cc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)ccc2O1 ZINC001235245971 1098918946 /nfs/dbraw/zinc/91/89/46/1098918946.db2.gz RZZFYFCMMWPHDG-VQIMIIECSA-N 2 2 300.446 3.103 20 0 DGADLP Brc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235254617 1098927978 /nfs/dbraw/zinc/92/79/78/1098927978.db2.gz KIQXQBHAQLKIHO-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235254617 1098927986 /nfs/dbraw/zinc/92/79/86/1098927986.db2.gz KIQXQBHAQLKIHO-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235264425 1098935359 /nfs/dbraw/zinc/93/53/59/1098935359.db2.gz XSGDMFGJCYSQTK-QFBILLFUSA-N 2 2 310.441 3.421 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235264425 1098935368 /nfs/dbraw/zinc/93/53/68/1098935368.db2.gz XSGDMFGJCYSQTK-QFBILLFUSA-N 2 2 310.441 3.421 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400152 1098994936 /nfs/dbraw/zinc/99/49/36/1098994936.db2.gz CJROJRAOGCTWJD-WBVHZDCISA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400152 1098994947 /nfs/dbraw/zinc/99/49/47/1098994947.db2.gz CJROJRAOGCTWJD-WBVHZDCISA-N 2 2 310.844 3.480 20 0 DGADLP c1nc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2s1 ZINC001179044684 1098999277 /nfs/dbraw/zinc/99/92/77/1098999277.db2.gz NCSSOVGRCVLHIS-HOCLYGCPSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2s1 ZINC001179044684 1098999293 /nfs/dbraw/zinc/99/92/93/1098999293.db2.gz NCSSOVGRCVLHIS-HOCLYGCPSA-N 2 2 301.459 3.403 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001179044334 1099000307 /nfs/dbraw/zinc/00/03/07/1099000307.db2.gz AZQCCQVPLHUTQC-QZTJIDSGSA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001179044334 1099000319 /nfs/dbraw/zinc/00/03/19/1099000319.db2.gz AZQCCQVPLHUTQC-QZTJIDSGSA-N 2 2 306.425 3.331 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCCCC[NH2+]CCCF)c(C)[nH+]1 ZINC001179085056 1099012510 /nfs/dbraw/zinc/01/25/10/1099012510.db2.gz QAFKMPMRQCHZBG-UHFFFAOYSA-N 2 2 323.456 3.246 20 0 DGADLP c1nc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2s1 ZINC001179315063 1099067094 /nfs/dbraw/zinc/06/70/94/1099067094.db2.gz ISMCEOGPRFYWAM-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2s1 ZINC001179315063 1099067107 /nfs/dbraw/zinc/06/71/07/1099067107.db2.gz ISMCEOGPRFYWAM-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP CCC[C@@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358925 1099068019 /nfs/dbraw/zinc/06/80/19/1099068019.db2.gz LUTJUINPNCOCDT-ROUUACIJSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358925 1099068033 /nfs/dbraw/zinc/06/80/33/1099068033.db2.gz LUTJUINPNCOCDT-ROUUACIJSA-N 2 2 304.478 3.180 20 0 DGADLP Clc1cc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c2cn1 ZINC001235522652 1099072422 /nfs/dbraw/zinc/07/24/22/1099072422.db2.gz XQQYREKKIXWQCY-UHFFFAOYSA-N 2 2 315.808 3.250 20 0 DGADLP C[NH2+]CC[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001235575919 1099089714 /nfs/dbraw/zinc/08/97/14/1099089714.db2.gz NOHXEQRIBRNTIN-UHFFFAOYSA-N 2 2 321.468 3.248 20 0 DGADLP CC[C@H]([NH3+])C[NH+]1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC001235675174 1099117590 /nfs/dbraw/zinc/11/75/90/1099117590.db2.gz PSPOIRJZTQWDFG-LBPRGKRZSA-N 2 2 316.367 3.286 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708970 1099140126 /nfs/dbraw/zinc/14/01/26/1099140126.db2.gz DAUNSULHXDSNFR-KGLIPLIRSA-N 2 2 317.260 3.322 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708970 1099140130 /nfs/dbraw/zinc/14/01/30/1099140130.db2.gz DAUNSULHXDSNFR-KGLIPLIRSA-N 2 2 317.260 3.322 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cnc1-c1ccccc1 ZINC001235714628 1099141397 /nfs/dbraw/zinc/14/13/97/1099141397.db2.gz ZLINSBOQEYDADS-UHFFFAOYSA-N 2 2 307.441 3.242 20 0 DGADLP Cc1cc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cnc1-c1ccccc1 ZINC001235714628 1099141405 /nfs/dbraw/zinc/14/14/05/1099141405.db2.gz ZLINSBOQEYDADS-UHFFFAOYSA-N 2 2 307.441 3.242 20 0 DGADLP Cc1cc(Br)cc(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC001235752037 1099165690 /nfs/dbraw/zinc/16/56/90/1099165690.db2.gz IESVYKYVKPJHGQ-UHFFFAOYSA-N 2 2 311.267 3.379 20 0 DGADLP CCC[C@H](O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699651 1099168066 /nfs/dbraw/zinc/16/80/66/1099168066.db2.gz FIBSSDROWBUUNN-MSOLQXFVSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@H](O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699651 1099168072 /nfs/dbraw/zinc/16/80/72/1099168072.db2.gz FIBSSDROWBUUNN-MSOLQXFVSA-N 2 2 304.478 3.180 20 0 DGADLP CC[N@H+](Cc1cccc(C(F)(F)F)c1F)C1CC[NH2+]CC1 ZINC001235759809 1099168735 /nfs/dbraw/zinc/16/87/35/1099168735.db2.gz ACBTXFILBDYVTD-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC[N@@H+](Cc1cccc(C(F)(F)F)c1F)C1CC[NH2+]CC1 ZINC001235759809 1099168737 /nfs/dbraw/zinc/16/87/37/1099168737.db2.gz ACBTXFILBDYVTD-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP COCCC[N@H+](Cc1c(C)cc(F)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235809001 1099189123 /nfs/dbraw/zinc/18/91/23/1099189123.db2.gz IFBVYQFAROQNKK-KRWDZBQOSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@@H+](Cc1c(C)cc(F)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235809001 1099189126 /nfs/dbraw/zinc/18/91/26/1099189126.db2.gz IFBVYQFAROQNKK-KRWDZBQOSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@H+](Cc1cc(C)cc(SC)c1)[C@@H]1CCC[NH2+]C1 ZINC001235812366 1099190714 /nfs/dbraw/zinc/19/07/14/1099190714.db2.gz ZMRWRBODQHPXHE-QGZVFWFLSA-N 2 2 322.518 3.307 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)cc(SC)c1)[C@@H]1CCC[NH2+]C1 ZINC001235812366 1099190719 /nfs/dbraw/zinc/19/07/19/1099190719.db2.gz ZMRWRBODQHPXHE-QGZVFWFLSA-N 2 2 322.518 3.307 20 0 DGADLP CCc1cccc(C)c1C[N@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001235810076 1099190978 /nfs/dbraw/zinc/19/09/78/1099190978.db2.gz MMZUSGCRLBQWOY-SFHVURJKSA-N 2 2 304.478 3.148 20 0 DGADLP CCc1cccc(C)c1C[N@@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001235810076 1099190984 /nfs/dbraw/zinc/19/09/84/1099190984.db2.gz MMZUSGCRLBQWOY-SFHVURJKSA-N 2 2 304.478 3.148 20 0 DGADLP C[N@H+](CCc1ccc(Cl)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235840604 1099203286 /nfs/dbraw/zinc/20/32/86/1099203286.db2.gz QJYVVEXFSDJPBM-GOSISDBHSA-N 2 2 302.849 3.384 20 0 DGADLP C[N@@H+](CCc1ccc(Cl)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235840604 1099203291 /nfs/dbraw/zinc/20/32/91/1099203291.db2.gz QJYVVEXFSDJPBM-GOSISDBHSA-N 2 2 302.849 3.384 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235842856 1099206836 /nfs/dbraw/zinc/20/68/36/1099206836.db2.gz SBJMZNGRRWASQW-SNVBAGLBSA-N 2 2 317.658 3.144 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235842856 1099206845 /nfs/dbraw/zinc/20/68/45/1099206845.db2.gz SBJMZNGRRWASQW-SNVBAGLBSA-N 2 2 317.658 3.144 20 0 DGADLP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179901637 1099231800 /nfs/dbraw/zinc/23/18/00/1099231800.db2.gz DVWFMNKEDKASAD-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907934 1099250992 /nfs/dbraw/zinc/25/09/92/1099250992.db2.gz VBTFJZFWOMJMQA-ZWNOBZJWSA-N 2 2 322.250 3.242 20 0 DGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907934 1099251002 /nfs/dbraw/zinc/25/10/02/1099251002.db2.gz VBTFJZFWOMJMQA-ZWNOBZJWSA-N 2 2 322.250 3.242 20 0 DGADLP Cc1cccc2cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nc12 ZINC001235935390 1099269774 /nfs/dbraw/zinc/26/97/74/1099269774.db2.gz DOJZVLYAXXLWIW-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nc12 ZINC001235935390 1099269783 /nfs/dbraw/zinc/26/97/83/1099269783.db2.gz DOJZVLYAXXLWIW-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP Clc1cccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001235946690 1099278502 /nfs/dbraw/zinc/27/85/02/1099278502.db2.gz PKVWBUQZCWJUER-CJNGLKHVSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1cccc([C@@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001235946690 1099278513 /nfs/dbraw/zinc/27/85/13/1099278513.db2.gz PKVWBUQZCWJUER-CJNGLKHVSA-N 2 2 310.894 3.430 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001235946931 1099279143 /nfs/dbraw/zinc/27/91/43/1099279143.db2.gz DLRAZCYHXWUBAP-UHFFFAOYSA-N 2 2 308.319 3.092 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001235946931 1099279153 /nfs/dbraw/zinc/27/91/53/1099279153.db2.gz DLRAZCYHXWUBAP-UHFFFAOYSA-N 2 2 308.319 3.092 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1cc2c(cccc2Br)[nH]1 ZINC001235948039 1099280409 /nfs/dbraw/zinc/28/04/09/1099280409.db2.gz QRHFOKQZLQITFC-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1cc2c(cccc2Br)[nH]1 ZINC001235948039 1099280416 /nfs/dbraw/zinc/28/04/16/1099280416.db2.gz QRHFOKQZLQITFC-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979208 1099306548 /nfs/dbraw/zinc/30/65/48/1099306548.db2.gz KRJOJLGLUDRARQ-ICSRJNTNSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979208 1099306558 /nfs/dbraw/zinc/30/65/58/1099306558.db2.gz KRJOJLGLUDRARQ-ICSRJNTNSA-N 2 2 308.425 3.189 20 0 DGADLP CC[N@H+](Cc1ccccc1-c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC001236005194 1099327636 /nfs/dbraw/zinc/32/76/36/1099327636.db2.gz BOYBHDBXJWSRDT-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP CC[N@@H+](Cc1ccccc1-c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC001236005194 1099327646 /nfs/dbraw/zinc/32/76/46/1099327646.db2.gz BOYBHDBXJWSRDT-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP CC(C)(C)c1c[nH]c(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236017841 1099338043 /nfs/dbraw/zinc/33/80/43/1099338043.db2.gz TZEFKPAIAMUCLB-NQIIRXRSSA-N 2 2 323.484 3.285 20 0 DGADLP CC(C)(C)c1c[nH]c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236017841 1099338054 /nfs/dbraw/zinc/33/80/54/1099338054.db2.gz TZEFKPAIAMUCLB-NQIIRXRSSA-N 2 2 323.484 3.285 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3F)cc1)C2 ZINC001236028390 1099340304 /nfs/dbraw/zinc/34/03/04/1099340304.db2.gz PQUWJLMRZCFKER-RDTXWAMCSA-N 2 2 300.352 3.165 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3F)cc1)C2 ZINC001236028390 1099340317 /nfs/dbraw/zinc/34/03/17/1099340317.db2.gz PQUWJLMRZCFKER-RDTXWAMCSA-N 2 2 300.352 3.165 20 0 DGADLP Brc1cccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236059362 1099359830 /nfs/dbraw/zinc/35/98/30/1099359830.db2.gz GGMWDTIKYDENLJ-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236059362 1099359840 /nfs/dbraw/zinc/35/98/40/1099359840.db2.gz GGMWDTIKYDENLJ-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095148 1099384313 /nfs/dbraw/zinc/38/43/13/1099384313.db2.gz NKSPZZKURPTIIP-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095148 1099384326 /nfs/dbraw/zinc/38/43/26/1099384326.db2.gz NKSPZZKURPTIIP-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)cnc1OCC)C1CC[NH2+]CC1 ZINC001236183890 1099452521 /nfs/dbraw/zinc/45/25/21/1099452521.db2.gz AYNZNZRFXOCLQK-UHFFFAOYSA-N 2 2 311.857 3.098 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)cnc1OCC)C1CC[NH2+]CC1 ZINC001236183890 1099452532 /nfs/dbraw/zinc/45/25/32/1099452532.db2.gz AYNZNZRFXOCLQK-UHFFFAOYSA-N 2 2 311.857 3.098 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC)c(F)c1F)C1CC[NH2+]CC1 ZINC001236183190 1099453303 /nfs/dbraw/zinc/45/33/03/1099453303.db2.gz XJWVOYHPOVIEGN-UHFFFAOYSA-N 2 2 312.404 3.328 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC)c(F)c1F)C1CC[NH2+]CC1 ZINC001236183190 1099453309 /nfs/dbraw/zinc/45/33/09/1099453309.db2.gz XJWVOYHPOVIEGN-UHFFFAOYSA-N 2 2 312.404 3.328 20 0 DGADLP C[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206199 1099462896 /nfs/dbraw/zinc/46/28/96/1099462896.db2.gz JCQLYZPNNZUSQL-QGZVFWFLSA-N 2 2 318.852 3.100 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206199 1099462902 /nfs/dbraw/zinc/46/29/02/1099462902.db2.gz JCQLYZPNNZUSQL-QGZVFWFLSA-N 2 2 318.852 3.100 20 0 DGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214146 1099469921 /nfs/dbraw/zinc/46/99/21/1099469921.db2.gz CKYDNANNXCGWOO-CABCVRRESA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214146 1099469927 /nfs/dbraw/zinc/46/99/27/1099469927.db2.gz CKYDNANNXCGWOO-CABCVRRESA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217718 1099473311 /nfs/dbraw/zinc/47/33/11/1099473311.db2.gz PVXZCCLOSQZRIR-ZIAGYGMSSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217718 1099473317 /nfs/dbraw/zinc/47/33/17/1099473317.db2.gz PVXZCCLOSQZRIR-ZIAGYGMSSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217963 1099474567 /nfs/dbraw/zinc/47/45/67/1099474567.db2.gz QXLXDGNYKUKDAV-ZIAGYGMSSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217963 1099474573 /nfs/dbraw/zinc/47/45/73/1099474573.db2.gz QXLXDGNYKUKDAV-ZIAGYGMSSA-N 2 2 320.330 3.426 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219125 1099476226 /nfs/dbraw/zinc/47/62/26/1099476226.db2.gz UQUJTGZGFUVEIS-HUUCEWRRSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219125 1099476231 /nfs/dbraw/zinc/47/62/31/1099476231.db2.gz UQUJTGZGFUVEIS-HUUCEWRRSA-N 2 2 316.367 3.416 20 0 DGADLP CC(C)Oc1c(C[N@H+](C)C2(C)CC[NH2+]CC2)ccc(F)c1F ZINC001236228495 1099484545 /nfs/dbraw/zinc/48/45/45/1099484545.db2.gz VMAMTMSZICXPKN-UHFFFAOYSA-N 2 2 312.404 3.326 20 0 DGADLP CC(C)Oc1c(C[N@@H+](C)C2(C)CC[NH2+]CC2)ccc(F)c1F ZINC001236228495 1099484548 /nfs/dbraw/zinc/48/45/48/1099484548.db2.gz VMAMTMSZICXPKN-UHFFFAOYSA-N 2 2 312.404 3.326 20 0 DGADLP CC(C)Oc1cc(C[NH+]2CCC[NH2+]CCC2)cc(OC(C)C)c1 ZINC001236239434 1099493370 /nfs/dbraw/zinc/49/33/70/1099493370.db2.gz FNRHVYONXKZKHZ-UHFFFAOYSA-N 2 2 320.477 3.446 20 0 DGADLP Cc1cc(Br)cc(C)c1C[NH+]1CCC[NH2+]CCC1 ZINC001236241294 1099495357 /nfs/dbraw/zinc/49/53/57/1099495357.db2.gz XSAZOFFIMXQRRQ-UHFFFAOYSA-N 2 2 311.267 3.251 20 0 DGADLP OCCCCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001236313898 1099528227 /nfs/dbraw/zinc/52/82/27/1099528227.db2.gz DEHBZQLZXLECME-IBGZPJMESA-N 2 2 304.478 3.183 20 0 DGADLP OCCCCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001236313898 1099528236 /nfs/dbraw/zinc/52/82/36/1099528236.db2.gz DEHBZQLZXLECME-IBGZPJMESA-N 2 2 304.478 3.183 20 0 DGADLP CCCN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@H]1CC[NH2+]C1 ZINC001236324362 1099538976 /nfs/dbraw/zinc/53/89/76/1099538976.db2.gz PJPPENUQOGZOEL-INIZCTEOSA-N 2 2 318.852 3.100 20 0 DGADLP COc1cc(-n2cc[nH+]c2)ccc1-c1cccc2c1CC[NH2+]C2 ZINC001236360991 1099553006 /nfs/dbraw/zinc/55/30/06/1099553006.db2.gz SVGLPHGPJGKDKK-UHFFFAOYSA-N 2 2 305.381 3.194 20 0 DGADLP CC[N@@H+](Cc1cc(C)ccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236409378 1099580877 /nfs/dbraw/zinc/58/08/77/1099580877.db2.gz UEMXCEYMHADLAV-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1cc(C)ccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236409378 1099580888 /nfs/dbraw/zinc/58/08/88/1099580888.db2.gz UEMXCEYMHADLAV-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cc(NCCCCc2cc[nH+]c(N)c2)nc(C2CCC2)[nH+]1 ZINC001187740144 1099593961 /nfs/dbraw/zinc/59/39/61/1099593961.db2.gz ZOXXCOZPUTUBHI-UHFFFAOYSA-N 2 2 311.433 3.465 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](F)(C[NH3+])C3)cc2)cc1 ZINC001236434549 1099610957 /nfs/dbraw/zinc/61/09/57/1099610957.db2.gz MNEKSLZTAONEFG-LJQANCHMSA-N 2 2 314.404 3.235 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@](F)(C[NH3+])C3)cc2)cc1 ZINC001236434549 1099610961 /nfs/dbraw/zinc/61/09/61/1099610961.db2.gz MNEKSLZTAONEFG-LJQANCHMSA-N 2 2 314.404 3.235 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236434275 1099611035 /nfs/dbraw/zinc/61/10/35/1099611035.db2.gz LHDWCYXIUDOTMP-SFHVURJKSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236434275 1099611038 /nfs/dbraw/zinc/61/10/38/1099611038.db2.gz LHDWCYXIUDOTMP-SFHVURJKSA-N 2 2 302.368 3.365 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]c2cnc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236470195 1099629601 /nfs/dbraw/zinc/62/96/01/1099629601.db2.gz AYEMMGOKJNTLKM-CYBMUJFWSA-N 2 2 306.841 3.179 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]c2cnc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236470195 1099629605 /nfs/dbraw/zinc/62/96/05/1099629605.db2.gz AYEMMGOKJNTLKM-CYBMUJFWSA-N 2 2 306.841 3.179 20 0 DGADLP CCOc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC001236474276 1099633310 /nfs/dbraw/zinc/63/33/10/1099633310.db2.gz PWUHQWJRHSTCQA-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP CCOc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC001236474276 1099633315 /nfs/dbraw/zinc/63/33/15/1099633315.db2.gz PWUHQWJRHSTCQA-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP CC(C)[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001236528935 1099663441 /nfs/dbraw/zinc/66/34/41/1099663441.db2.gz LKRMUIIMBOSEDN-HNNXBMFYSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001236528935 1099663449 /nfs/dbraw/zinc/66/34/49/1099663449.db2.gz LKRMUIIMBOSEDN-HNNXBMFYSA-N 2 2 303.837 3.461 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236530283 1099666169 /nfs/dbraw/zinc/66/61/69/1099666169.db2.gz SSEPNDHBVUQORT-AWEZNQCLSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1c(Br)cccc1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236530283 1099666176 /nfs/dbraw/zinc/66/61/76/1099666176.db2.gz SSEPNDHBVUQORT-AWEZNQCLSA-N 2 2 311.267 3.330 20 0 DGADLP COc1ccc(Cl)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599641 1099695399 /nfs/dbraw/zinc/69/53/99/1099695399.db2.gz UKCWAJJSMCDMAZ-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599641 1099695404 /nfs/dbraw/zinc/69/54/04/1099695404.db2.gz UKCWAJJSMCDMAZ-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc([C@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236606864 1099700701 /nfs/dbraw/zinc/70/07/01/1099700701.db2.gz WZGHUFMBBKKBMR-SJLPKXTDSA-N 2 2 320.502 3.317 20 0 DGADLP COc1cccc([C@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236606864 1099700708 /nfs/dbraw/zinc/70/07/08/1099700708.db2.gz WZGHUFMBBKKBMR-SJLPKXTDSA-N 2 2 320.502 3.317 20 0 DGADLP OC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236912984 1099873575 /nfs/dbraw/zinc/87/35/75/1099873575.db2.gz FXSBCGHTOPDKHM-AWEZNQCLSA-N 2 2 319.836 3.120 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@]1(C)O ZINC001236913005 1099873879 /nfs/dbraw/zinc/87/38/79/1099873879.db2.gz GMFMKFLHLTWVDM-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916406 1099875704 /nfs/dbraw/zinc/87/57/04/1099875704.db2.gz LZAZLZXRKUSRBA-NOLJZWGESA-N 2 2 305.784 3.458 20 0 DGADLP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916406 1099875711 /nfs/dbraw/zinc/87/57/11/1099875711.db2.gz LZAZLZXRKUSRBA-NOLJZWGESA-N 2 2 305.784 3.458 20 0 DGADLP CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236920529 1099877541 /nfs/dbraw/zinc/87/75/41/1099877541.db2.gz VDELJWPBGZXEEW-OAHLLOKOSA-N 2 2 305.809 3.137 20 0 DGADLP CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236920529 1099877551 /nfs/dbraw/zinc/87/75/51/1099877551.db2.gz VDELJWPBGZXEEW-OAHLLOKOSA-N 2 2 305.809 3.137 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001236917376 1099877831 /nfs/dbraw/zinc/87/78/31/1099877831.db2.gz SXILUGRZPHFWML-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC001236917376 1099877836 /nfs/dbraw/zinc/87/78/36/1099877836.db2.gz SXILUGRZPHFWML-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237059394 1099941807 /nfs/dbraw/zinc/94/18/07/1099941807.db2.gz UQJHZAFOVFZRPU-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237059394 1099941818 /nfs/dbraw/zinc/94/18/18/1099941818.db2.gz UQJHZAFOVFZRPU-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP COC(=O)c1ccc([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001237045209 1099942497 /nfs/dbraw/zinc/94/24/97/1099942497.db2.gz ZASUCPUFZFQOIT-RTBURBONSA-N 2 2 324.424 3.310 20 0 DGADLP COC(=O)c1ccc([C@H]2CCC[N@H+]2C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001237045209 1099942504 /nfs/dbraw/zinc/94/25/04/1099942504.db2.gz ZASUCPUFZFQOIT-RTBURBONSA-N 2 2 324.424 3.310 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237080148 1099959253 /nfs/dbraw/zinc/95/92/53/1099959253.db2.gz DCXKHQSRACMBCS-QGZVFWFLSA-N 2 2 324.852 3.078 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237080148 1099959261 /nfs/dbraw/zinc/95/92/61/1099959261.db2.gz DCXKHQSRACMBCS-QGZVFWFLSA-N 2 2 324.852 3.078 20 0 DGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142687 1099994545 /nfs/dbraw/zinc/99/45/45/1099994545.db2.gz OULQUFIUHCQSKJ-FXAWDEMLSA-N 2 2 316.489 3.053 20 0 DGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142687 1099994553 /nfs/dbraw/zinc/99/45/53/1099994553.db2.gz OULQUFIUHCQSKJ-FXAWDEMLSA-N 2 2 316.489 3.053 20 0 DGADLP c1cc2c(cc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1)CCCO2 ZINC001237152987 1100001047 /nfs/dbraw/zinc/00/10/47/1100001047.db2.gz AIPZEJIUGOXNKK-SFHVURJKSA-N 2 2 300.446 3.118 20 0 DGADLP c1cc2c(cc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1)CCCO2 ZINC001237152987 1100001055 /nfs/dbraw/zinc/00/10/55/1100001055.db2.gz AIPZEJIUGOXNKK-SFHVURJKSA-N 2 2 300.446 3.118 20 0 DGADLP COc1cccc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001237154575 1100003842 /nfs/dbraw/zinc/00/38/42/1100003842.db2.gz DPBCOANLKDGEAD-MRXNPFEDSA-N 2 2 313.445 3.283 20 0 DGADLP COc1cccc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001237154575 1100003848 /nfs/dbraw/zinc/00/38/48/1100003848.db2.gz DPBCOANLKDGEAD-MRXNPFEDSA-N 2 2 313.445 3.283 20 0 DGADLP c1nc2cccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2s1 ZINC001237157987 1100007484 /nfs/dbraw/zinc/00/74/84/1100007484.db2.gz WRORGPIVLUEMSL-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2s1 ZINC001237157987 1100007492 /nfs/dbraw/zinc/00/74/92/1100007492.db2.gz WRORGPIVLUEMSL-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP Cc1cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1O ZINC001237290045 1100063891 /nfs/dbraw/zinc/06/38/91/1100063891.db2.gz VGURFSLLXHNXEY-UHFFFAOYSA-N 2 2 322.452 3.338 20 0 DGADLP CN(C)c1cccc(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237311091 1100073303 /nfs/dbraw/zinc/07/33/03/1100073303.db2.gz PNGHZZPUUAMPEI-UHFFFAOYSA-N 2 2 321.468 3.347 20 0 DGADLP CN(C)c1cccc(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237311091 1100073306 /nfs/dbraw/zinc/07/33/06/1100073306.db2.gz PNGHZZPUUAMPEI-UHFFFAOYSA-N 2 2 321.468 3.347 20 0 DGADLP Brc1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237376700 1100099822 /nfs/dbraw/zinc/09/98/22/1100099822.db2.gz RYHNZUCYGJWEOV-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237376700 1100099829 /nfs/dbraw/zinc/09/98/29/1100099829.db2.gz RYHNZUCYGJWEOV-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cn2)cc1 ZINC001237389029 1100105540 /nfs/dbraw/zinc/10/55/40/1100105540.db2.gz FLTHCXUSDZBDPP-QUCCMNQESA-N 2 2 307.441 3.323 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cn2)cc1 ZINC001237389029 1100105546 /nfs/dbraw/zinc/10/55/46/1100105546.db2.gz FLTHCXUSDZBDPP-QUCCMNQESA-N 2 2 307.441 3.323 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC001237791143 1100247334 /nfs/dbraw/zinc/24/73/34/1100247334.db2.gz BGHKXOLOOJIIDX-UHFFFAOYSA-N 2 2 314.458 3.046 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)cc[nH+]1 ZINC001237793310 1100249421 /nfs/dbraw/zinc/24/94/21/1100249421.db2.gz TUIUKKADLZHPLC-UHFFFAOYSA-N 2 2 314.458 3.046 20 0 DGADLP Cc1nc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)ccc1F ZINC001237819304 1100258049 /nfs/dbraw/zinc/25/80/49/1100258049.db2.gz JAHVZQIDRWMEPE-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)ccc1F ZINC001237819304 1100258055 /nfs/dbraw/zinc/25/80/55/1100258055.db2.gz JAHVZQIDRWMEPE-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccc1F ZINC001237819304 1100258065 /nfs/dbraw/zinc/25/80/65/1100258065.db2.gz JAHVZQIDRWMEPE-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccc1F ZINC001237819304 1100258072 /nfs/dbraw/zinc/25/80/72/1100258072.db2.gz JAHVZQIDRWMEPE-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCOC(C)(C)C3)cc21 ZINC001237881277 1100279707 /nfs/dbraw/zinc/27/97/07/1100279707.db2.gz PZVVBDGCEPDDFH-UHFFFAOYSA-N 2 2 300.446 3.299 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOC(C)(C)C3)cc21 ZINC001237881277 1100279713 /nfs/dbraw/zinc/27/97/13/1100279713.db2.gz PZVVBDGCEPDDFH-UHFFFAOYSA-N 2 2 300.446 3.299 20 0 DGADLP Cc1sccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001237965714 1100305076 /nfs/dbraw/zinc/30/50/76/1100305076.db2.gz DZFDATPSWORKDN-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1sccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001237969614 1100307839 /nfs/dbraw/zinc/30/78/39/1100307839.db2.gz PZTZTRLDMMLVAQ-QZTJIDSGSA-N 2 2 313.470 3.015 20 0 DGADLP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)CC1 ZINC001237997604 1100320545 /nfs/dbraw/zinc/32/05/45/1100320545.db2.gz MXFDNKSOVREEKB-UHFFFAOYSA-N 2 2 312.816 3.102 20 0 DGADLP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)CC1 ZINC001237997604 1100320554 /nfs/dbraw/zinc/32/05/54/1100320554.db2.gz MXFDNKSOVREEKB-UHFFFAOYSA-N 2 2 312.816 3.102 20 0 DGADLP Cc1[nH]c(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c(C)[nH+]1 ZINC001190884546 1100357699 /nfs/dbraw/zinc/35/76/99/1100357699.db2.gz XXIRNLIKXUUBJQ-UHFFFAOYSA-N 2 2 312.461 3.123 20 0 DGADLP FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103027 1100362639 /nfs/dbraw/zinc/36/26/39/1100362639.db2.gz IYRHBITUTJKHFT-CYBMUJFWSA-N 2 2 301.287 3.058 20 0 DGADLP FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103027 1100362649 /nfs/dbraw/zinc/36/26/49/1100362649.db2.gz IYRHBITUTJKHFT-CYBMUJFWSA-N 2 2 301.287 3.058 20 0 DGADLP Cc1cccc(O[C@H]2CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)n1 ZINC001238112318 1100364003 /nfs/dbraw/zinc/36/40/03/1100364003.db2.gz CSCKVBDXVKXCDY-SFHVURJKSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)n1 ZINC001238112318 1100364013 /nfs/dbraw/zinc/36/40/13/1100364013.db2.gz CSCKVBDXVKXCDY-SFHVURJKSA-N 2 2 322.412 3.081 20 0 DGADLP c1[nH+]cn2c1cccc2C[NH+]1CCC(Sc2ccncc2)CC1 ZINC001238120101 1100368135 /nfs/dbraw/zinc/36/81/35/1100368135.db2.gz UERXHVHRWDZMGR-UHFFFAOYSA-N 2 2 324.453 3.486 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1F ZINC001238458273 1100450329 /nfs/dbraw/zinc/45/03/29/1100450329.db2.gz MUMBUQYFDZYXAN-SFHVURJKSA-N 2 2 306.425 3.141 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1F ZINC001238458273 1100450333 /nfs/dbraw/zinc/45/03/33/1100450333.db2.gz MUMBUQYFDZYXAN-SFHVURJKSA-N 2 2 306.425 3.141 20 0 DGADLP CC(C)Oc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1F ZINC001238458273 1100450337 /nfs/dbraw/zinc/45/03/37/1100450337.db2.gz MUMBUQYFDZYXAN-SFHVURJKSA-N 2 2 306.425 3.141 20 0 DGADLP CC(C)Oc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001238458273 1100450342 /nfs/dbraw/zinc/45/03/42/1100450342.db2.gz MUMBUQYFDZYXAN-SFHVURJKSA-N 2 2 306.425 3.141 20 0 DGADLP CCCCOc1ncc(C[N@H+](CC)CCn2cc[nH+]c2)cc1C ZINC001238492279 1100457714 /nfs/dbraw/zinc/45/77/14/1100457714.db2.gz JKLPZEMQXYPGQZ-UHFFFAOYSA-N 2 2 316.449 3.288 20 0 DGADLP CCCCOc1ncc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1C ZINC001238492279 1100457717 /nfs/dbraw/zinc/45/77/17/1100457717.db2.gz JKLPZEMQXYPGQZ-UHFFFAOYSA-N 2 2 316.449 3.288 20 0 DGADLP CC(C)Oc1c(F)ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001238529782 1100466831 /nfs/dbraw/zinc/46/68/31/1100466831.db2.gz JWQJZOFFPQMHON-UHFFFAOYSA-N 2 2 324.415 3.280 20 0 DGADLP CC(C)(O)c1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001240409636 1100983949 /nfs/dbraw/zinc/98/39/49/1100983949.db2.gz GROYOVNNKOQNJR-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001240409636 1100983956 /nfs/dbraw/zinc/98/39/56/1100983956.db2.gz GROYOVNNKOQNJR-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)CCn1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001240421112 1100990028 /nfs/dbraw/zinc/99/00/28/1100990028.db2.gz SMSVIKGXXNAEJB-SFHVURJKSA-N 2 2 312.461 3.129 20 0 DGADLP CC(C)CCn1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001240421112 1100990036 /nfs/dbraw/zinc/99/00/36/1100990036.db2.gz SMSVIKGXXNAEJB-SFHVURJKSA-N 2 2 312.461 3.129 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001240462185 1101007652 /nfs/dbraw/zinc/00/76/52/1101007652.db2.gz BRSOOYTWARMDHR-KRWDZBQOSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001240462185 1101007655 /nfs/dbraw/zinc/00/76/55/1101007655.db2.gz BRSOOYTWARMDHR-KRWDZBQOSA-N 2 2 320.440 3.082 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(N4CCCC4)cc3)c2)C1 ZINC001240591123 1101064429 /nfs/dbraw/zinc/06/44/29/1101064429.db2.gz DDNMDYRBGBITBP-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(N4CCCC4)cc3)c2)C1 ZINC001240591123 1101064435 /nfs/dbraw/zinc/06/44/35/1101064435.db2.gz DDNMDYRBGBITBP-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3cccnc32)C1 ZINC001240895923 1101172813 /nfs/dbraw/zinc/17/28/13/1101172813.db2.gz LNNXONYFBCUWCJ-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3cccnc32)C1 ZINC001240895923 1101172816 /nfs/dbraw/zinc/17/28/16/1101172816.db2.gz LNNXONYFBCUWCJ-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1F ZINC001241044515 1101233813 /nfs/dbraw/zinc/23/38/13/1101233813.db2.gz AIUVVRWTHUAHFX-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1F ZINC001241044515 1101233821 /nfs/dbraw/zinc/23/38/21/1101233821.db2.gz AIUVVRWTHUAHFX-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP CCOc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241104652 1101255501 /nfs/dbraw/zinc/25/55/01/1101255501.db2.gz MQJUGUHLIHXIKS-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241104652 1101255507 /nfs/dbraw/zinc/25/55/07/1101255507.db2.gz MQJUGUHLIHXIKS-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(OC)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241238462 1101308805 /nfs/dbraw/zinc/30/88/05/1101308805.db2.gz INUSSQDCVLXYER-UHFFFAOYSA-N 2 2 323.396 3.095 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001241276813 1101342889 /nfs/dbraw/zinc/34/28/89/1101342889.db2.gz SCQGADNNYSQXLO-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001241276813 1101342903 /nfs/dbraw/zinc/34/29/03/1101342903.db2.gz SCQGADNNYSQXLO-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(-n4cccn4)cc3)cc2)C1 ZINC001241394606 1101430197 /nfs/dbraw/zinc/43/01/97/1101430197.db2.gz USTLWZLJEPDGIZ-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(-n4cccn4)cc3)cc2)C1 ZINC001241394606 1101430203 /nfs/dbraw/zinc/43/02/03/1101430203.db2.gz USTLWZLJEPDGIZ-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP Cc1[nH]nc2cc(-c3cccc(C[NH+]4CCC([NH3+])CC4)c3)ccc12 ZINC001241641468 1101602363 /nfs/dbraw/zinc/60/23/63/1101602363.db2.gz RZCXONFTYPENPE-UHFFFAOYSA-N 2 2 320.440 3.461 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807102 1101603475 /nfs/dbraw/zinc/60/34/75/1101603475.db2.gz XUNUNPYAMLFZQA-AAEUAGOBSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807102 1101603482 /nfs/dbraw/zinc/60/34/82/1101603482.db2.gz XUNUNPYAMLFZQA-AAEUAGOBSA-N 2 2 302.340 3.144 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001241694971 1101641838 /nfs/dbraw/zinc/64/18/38/1101641838.db2.gz PRYCMXPWWAHXLX-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001241694971 1101641846 /nfs/dbraw/zinc/64/18/46/1101641846.db2.gz PRYCMXPWWAHXLX-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3cccc4[nH+]c(C)cn43)cc2)CC1 ZINC001241743171 1101672961 /nfs/dbraw/zinc/67/29/61/1101672961.db2.gz IHFHWLXQWNZELX-UHFFFAOYSA-N 2 2 320.440 3.452 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(F)cc1F ZINC001197929003 1101703450 /nfs/dbraw/zinc/70/34/50/1101703450.db2.gz BVKOCEDNLTVQBC-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(F)cc1F ZINC001197929003 1101703457 /nfs/dbraw/zinc/70/34/57/1101703457.db2.gz BVKOCEDNLTVQBC-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3OC(F)F)c2)C1 ZINC001241952866 1101799959 /nfs/dbraw/zinc/79/99/59/1101799959.db2.gz PKQMXPLIJTVBAU-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3OC(F)F)c2)C1 ZINC001241952866 1101799967 /nfs/dbraw/zinc/79/99/67/1101799967.db2.gz PKQMXPLIJTVBAU-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC001198769108 1101981260 /nfs/dbraw/zinc/98/12/60/1101981260.db2.gz JMYCLWGJJDSLNR-UHFFFAOYSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC001198767460 1101982101 /nfs/dbraw/zinc/98/21/01/1101982101.db2.gz CJHVDACUJZKDBW-CYBMUJFWSA-N 2 2 302.249 3.183 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(OCC3CC3)nc2)C1 ZINC001242215401 1101987546 /nfs/dbraw/zinc/98/75/46/1101987546.db2.gz WNFBCTLJGJFTFP-SFHVURJKSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(OCC3CC3)nc2)C1 ZINC001242215401 1101987552 /nfs/dbraw/zinc/98/75/52/1101987552.db2.gz WNFBCTLJGJFTFP-SFHVURJKSA-N 2 2 323.440 3.070 20 0 DGADLP Cc1cc2[nH]ncc2cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001242285153 1102028538 /nfs/dbraw/zinc/02/85/38/1102028538.db2.gz NADPWWIAWDOQRH-UHFFFAOYSA-N 2 2 320.440 3.461 20 0 DGADLP CCc1cc(OC)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242699505 1102292023 /nfs/dbraw/zinc/29/20/23/1102292023.db2.gz DHPBNPLGLYKEKH-KRWDZBQOSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(OC)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242699505 1102292035 /nfs/dbraw/zinc/29/20/35/1102292035.db2.gz DHPBNPLGLYKEKH-KRWDZBQOSA-N 2 2 310.441 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2-n2cccn2)C1 ZINC001242713164 1102301373 /nfs/dbraw/zinc/30/13/73/1102301373.db2.gz SUEFJUCSDBLCOW-QGZVFWFLSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2-n2cccn2)C1 ZINC001242713164 1102301384 /nfs/dbraw/zinc/30/13/84/1102301384.db2.gz SUEFJUCSDBLCOW-QGZVFWFLSA-N 2 2 318.424 3.072 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903577 1102452696 /nfs/dbraw/zinc/45/26/96/1102452696.db2.gz QDDWEMJTSJDTOI-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903577 1102452699 /nfs/dbraw/zinc/45/26/99/1102452699.db2.gz QDDWEMJTSJDTOI-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP CC(C)[NH2+]c1ccc(Nc2c[nH+]ccc2N2CCOCC2)cc1 ZINC001201492199 1102611676 /nfs/dbraw/zinc/61/16/76/1102611676.db2.gz WSJRFSPRTAWGSC-UHFFFAOYSA-N 2 2 312.417 3.482 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(OC(F)F)c2)C1 ZINC001243359755 1102681647 /nfs/dbraw/zinc/68/16/47/1102681647.db2.gz OJFCCYFGIXDWSY-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(OC(F)F)c2)C1 ZINC001243359755 1102681654 /nfs/dbraw/zinc/68/16/54/1102681654.db2.gz OJFCCYFGIXDWSY-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP Nc1[nH+]cccc1-c1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]3)n2)cc1 ZINC001243472873 1102741024 /nfs/dbraw/zinc/74/10/24/1102741024.db2.gz BQIMDNVBVREYGZ-HNNXBMFYSA-N 2 2 305.385 3.145 20 0 DGADLP COCC[N@H+](Cc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC001203982123 1102866359 /nfs/dbraw/zinc/86/63/59/1102866359.db2.gz LWYZNRDOHSRSDK-UHFFFAOYSA-N 2 2 312.457 3.382 20 0 DGADLP COCC[N@@H+](Cc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC001203982123 1102866378 /nfs/dbraw/zinc/86/63/78/1102866378.db2.gz LWYZNRDOHSRSDK-UHFFFAOYSA-N 2 2 312.457 3.382 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cn3)cc2)c[nH+]1 ZINC001243656820 1102886799 /nfs/dbraw/zinc/88/67/99/1102886799.db2.gz ODMPRAKZHVGFCX-GOSISDBHSA-N 2 2 304.397 3.418 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202319908 1102941378 /nfs/dbraw/zinc/94/13/78/1102941378.db2.gz WSHDIINWLMMUFH-HOTGVXAUSA-N 2 2 312.379 3.311 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001325657785 1103095790 /nfs/dbraw/zinc/09/57/90/1103095790.db2.gz DGMBBRFWDUJECJ-KBPBESRZSA-N 2 2 307.507 3.088 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001325657785 1103095804 /nfs/dbraw/zinc/09/58/04/1103095804.db2.gz DGMBBRFWDUJECJ-KBPBESRZSA-N 2 2 307.507 3.088 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3N3CCCC3)cc2)C1 ZINC001244183518 1103263487 /nfs/dbraw/zinc/26/34/87/1103263487.db2.gz RMRMGAMHJTXUJU-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3N3CCCC3)cc2)C1 ZINC001244183518 1103263495 /nfs/dbraw/zinc/26/34/95/1103263495.db2.gz RMRMGAMHJTXUJU-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP Oc1ccc(Cl)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1F ZINC001244540127 1103510055 /nfs/dbraw/zinc/51/00/55/1103510055.db2.gz QLLJBTXBGQHCDR-UHFFFAOYSA-N 2 2 317.751 3.186 20 0 DGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001413167062 1103749676 /nfs/dbraw/zinc/74/96/76/1103749676.db2.gz QYYCBEVPGZMAFK-INIZCTEOSA-N 2 2 319.424 3.145 20 0 DGADLP CCCCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001327881894 1103753952 /nfs/dbraw/zinc/75/39/52/1103753952.db2.gz ACXAUMWWOJAULH-YOEHRIQHSA-N 2 2 317.477 3.247 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(O)cc3Cl)c2)C1 ZINC001245083279 1103849000 /nfs/dbraw/zinc/84/90/00/1103849000.db2.gz MOZPFJKVVCEMRS-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(O)cc3Cl)c2)C1 ZINC001245083279 1103849013 /nfs/dbraw/zinc/84/90/13/1103849013.db2.gz MOZPFJKVVCEMRS-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3Cl)cc2)C1 ZINC001245083011 1103849331 /nfs/dbraw/zinc/84/93/31/1103849331.db2.gz JFACEQOITVJDQN-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3Cl)cc2)C1 ZINC001245083011 1103849346 /nfs/dbraw/zinc/84/93/46/1103849346.db2.gz JFACEQOITVJDQN-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP CC(=O)c1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1F ZINC001245155637 1103888140 /nfs/dbraw/zinc/88/81/40/1103888140.db2.gz VWRRADIRDXFHOU-UHFFFAOYSA-N 2 2 309.344 3.030 20 0 DGADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccccc1N1CC[NH2+]CC1 ZINC001245198315 1103903038 /nfs/dbraw/zinc/90/30/38/1103903038.db2.gz AGYLKUMIZWUDTQ-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001245199187 1103905315 /nfs/dbraw/zinc/90/53/15/1103905315.db2.gz SNGYIYGNSHGWBN-LJQANCHMSA-N 2 2 319.408 3.339 20 0 DGADLP CC[C@H](C)C[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001328376169 1103925155 /nfs/dbraw/zinc/92/51/55/1103925155.db2.gz IIRYZYYQPKJBBK-JSGCOSHPSA-N 2 2 305.466 3.151 20 0 DGADLP CC(C)n1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001137078002 1103959700 /nfs/dbraw/zinc/95/97/00/1103959700.db2.gz SLFFMYYKJAPFBL-SFHVURJKSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001137078002 1103959710 /nfs/dbraw/zinc/95/97/10/1103959710.db2.gz SLFFMYYKJAPFBL-SFHVURJKSA-N 2 2 304.482 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358642 1104004700 /nfs/dbraw/zinc/00/47/00/1104004700.db2.gz XOJLAUYEZZOJMW-RTWAWAEBSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358642 1104004712 /nfs/dbraw/zinc/00/47/12/1104004712.db2.gz XOJLAUYEZZOJMW-RTWAWAEBSA-N 3 2 321.468 3.311 20 0 DGADLP c1cn2c(cccc2-c2ccc(COC3CC[NH2+]CC3)cc2)[nH+]1 ZINC001245411301 1104034592 /nfs/dbraw/zinc/03/45/92/1104034592.db2.gz XNNQPBPFFBAECP-UHFFFAOYSA-N 2 2 307.397 3.270 20 0 DGADLP Cc1cc(-c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)c[nH+]c1N ZINC001245540681 1104113051 /nfs/dbraw/zinc/11/30/51/1104113051.db2.gz YCORKELCTLFZAI-QEORTHHSSA-N 2 2 319.412 3.329 20 0 DGADLP Cc1cc(-c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)c[nH+]c1N ZINC001245540681 1104113058 /nfs/dbraw/zinc/11/30/58/1104113058.db2.gz YCORKELCTLFZAI-QEORTHHSSA-N 2 2 319.412 3.329 20 0 DGADLP CCN(C)c1ccc(Nc2cccc(OCC[NH+](C)C)c2)c[nH+]1 ZINC001212806249 1104170770 /nfs/dbraw/zinc/17/07/70/1104170770.db2.gz UNYYSPFHUDKTGQ-UHFFFAOYSA-N 2 2 314.433 3.222 20 0 DGADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157183 1104173189 /nfs/dbraw/zinc/17/31/89/1104173189.db2.gz VMITUHZMHOBVCD-SQNIBIBYSA-N 2 2 319.468 3.033 20 0 DGADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157183 1104173193 /nfs/dbraw/zinc/17/31/93/1104173193.db2.gz VMITUHZMHOBVCD-SQNIBIBYSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157183 1104173199 /nfs/dbraw/zinc/17/31/99/1104173199.db2.gz VMITUHZMHOBVCD-SQNIBIBYSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157183 1104173204 /nfs/dbraw/zinc/17/32/04/1104173204.db2.gz VMITUHZMHOBVCD-SQNIBIBYSA-N 2 2 319.468 3.033 20 0 DGADLP CSc1cnc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001245762925 1104225624 /nfs/dbraw/zinc/22/56/24/1104225624.db2.gz MTISYSVZJANMHS-AWEZNQCLSA-N 2 2 317.433 3.143 20 0 DGADLP CSc1cnc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001245762925 1104225631 /nfs/dbraw/zinc/22/56/31/1104225631.db2.gz MTISYSVZJANMHS-AWEZNQCLSA-N 2 2 317.433 3.143 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001245778416 1104232102 /nfs/dbraw/zinc/23/21/02/1104232102.db2.gz KJACZRAKMBSYGI-AWEZNQCLSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001245778416 1104232109 /nfs/dbraw/zinc/23/21/09/1104232109.db2.gz KJACZRAKMBSYGI-AWEZNQCLSA-N 2 2 301.821 3.243 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000717547543 1104350612 /nfs/dbraw/zinc/35/06/12/1104350612.db2.gz ALXVRSYGPALNHW-UHFFFAOYSA-N 2 2 324.468 3.275 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000717547543 1104350623 /nfs/dbraw/zinc/35/06/23/1104350623.db2.gz ALXVRSYGPALNHW-UHFFFAOYSA-N 2 2 324.468 3.275 20 0 DGADLP C[C@@](O)(C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056507 1104360755 /nfs/dbraw/zinc/36/07/55/1104360755.db2.gz VWUXIEXMHHXRBV-NHCUHLMSSA-N 2 2 324.468 3.148 20 0 DGADLP C[C@@](O)(C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056507 1104360766 /nfs/dbraw/zinc/36/07/66/1104360766.db2.gz VWUXIEXMHHXRBV-NHCUHLMSSA-N 2 2 324.468 3.148 20 0 DGADLP CCCCC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246066946 1104363201 /nfs/dbraw/zinc/36/32/01/1104363201.db2.gz URTAVXHNJSDQQQ-GOSISDBHSA-N 2 2 316.489 3.065 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246074447 1104366417 /nfs/dbraw/zinc/36/64/17/1104366417.db2.gz DTXGYZMTQFYQBC-MSOLQXFVSA-N 2 2 300.833 3.487 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246074268 1104368000 /nfs/dbraw/zinc/36/80/00/1104368000.db2.gz BYDZARHQUHWOTP-YJBOKZPZSA-N 2 2 302.368 3.112 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246079410 1104373839 /nfs/dbraw/zinc/37/38/39/1104373839.db2.gz YUMUPOIBLBQIPC-YJBOKZPZSA-N 2 2 300.833 3.487 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246097800 1104384662 /nfs/dbraw/zinc/38/46/62/1104384662.db2.gz NAHVQAGRQICOBZ-MJGOQNOKSA-N 3 2 321.484 3.249 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246180175 1104425001 /nfs/dbraw/zinc/42/50/01/1104425001.db2.gz QFVBVLFKWCBNMA-IAQYHMDHSA-N 2 2 302.796 3.091 20 0 DGADLP C[N@@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955861 1104437827 /nfs/dbraw/zinc/43/78/27/1104437827.db2.gz CTJRZSBZMZYXSW-GUDVDZBRSA-N 2 2 319.468 3.035 20 0 DGADLP C[N@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955861 1104437834 /nfs/dbraw/zinc/43/78/34/1104437834.db2.gz CTJRZSBZMZYXSW-GUDVDZBRSA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955861 1104437839 /nfs/dbraw/zinc/43/78/39/1104437839.db2.gz CTJRZSBZMZYXSW-GUDVDZBRSA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955861 1104437844 /nfs/dbraw/zinc/43/78/44/1104437844.db2.gz CTJRZSBZMZYXSW-GUDVDZBRSA-N 2 2 319.468 3.035 20 0 DGADLP Brc1cccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC2)c1 ZINC001246215167 1104439921 /nfs/dbraw/zinc/43/99/21/1104439921.db2.gz IRICAKDFSPYWJJ-AWEZNQCLSA-N 2 2 309.251 3.170 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246220383 1104442952 /nfs/dbraw/zinc/44/29/52/1104442952.db2.gz FMEOPWYQTWOSMA-NSHDSACASA-N 2 2 320.330 3.345 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2c(F)cccc2C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC001246226388 1104448035 /nfs/dbraw/zinc/44/80/35/1104448035.db2.gz BPAWTTWHAFNDDG-NXEZZACHSA-N 2 2 304.331 3.463 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC001246249360 1104459274 /nfs/dbraw/zinc/45/92/74/1104459274.db2.gz OYJGKXVELUDLCO-STQMWFEESA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246277892 1104470414 /nfs/dbraw/zinc/47/04/14/1104470414.db2.gz BYESONPMAUYAHK-QAPCUYQASA-N 2 2 300.833 3.487 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001246279183 1104470612 /nfs/dbraw/zinc/47/06/12/1104470612.db2.gz KVPXWLLGIIDINX-IRXDYDNUSA-N 2 2 312.413 3.026 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246282126 1104472366 /nfs/dbraw/zinc/47/23/66/1104472366.db2.gz BRYZYCYMPMYZBO-IBGZPJMESA-N 3 2 305.510 3.048 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246282126 1104472370 /nfs/dbraw/zinc/47/23/70/1104472370.db2.gz BRYZYCYMPMYZBO-IBGZPJMESA-N 3 2 305.510 3.048 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246359393 1104506490 /nfs/dbraw/zinc/50/64/90/1104506490.db2.gz BGPGHJDSRNTBKR-KRWDZBQOSA-N 3 2 307.526 3.009 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246359393 1104506500 /nfs/dbraw/zinc/50/65/00/1104506500.db2.gz BGPGHJDSRNTBKR-KRWDZBQOSA-N 3 2 307.526 3.009 20 0 DGADLP Clc1cccc(CN2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246360385 1104507890 /nfs/dbraw/zinc/50/78/90/1104507890.db2.gz QOXPCTDIEVJMLZ-GOSISDBHSA-N 2 2 321.896 3.036 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCOCC2)c2cccc(F)c2)C[NH2+]1 ZINC001246409983 1104530939 /nfs/dbraw/zinc/53/09/39/1104530939.db2.gz VRMMIIWFDUWLIC-NIKGAXFTSA-N 2 2 320.452 3.414 20 0 DGADLP C[N@@H+]1CCC2(C[NH+](CCCCCOCc3ccccc3)C2)C1 ZINC001274884969 1104534762 /nfs/dbraw/zinc/53/47/62/1104534762.db2.gz YXXXPUSHRRIHAG-UHFFFAOYSA-N 2 2 302.462 3.011 20 0 DGADLP C[N@H+]1CCC2(C[NH+](CCCCCOCc3ccccc3)C2)C1 ZINC001274884969 1104534770 /nfs/dbraw/zinc/53/47/70/1104534770.db2.gz YXXXPUSHRRIHAG-UHFFFAOYSA-N 2 2 302.462 3.011 20 0 DGADLP Fc1ccc([C@H](CC2CCOCC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246454791 1104546234 /nfs/dbraw/zinc/54/62/34/1104546234.db2.gz GZYWEAULAHFLAX-MOPGFXCFSA-N 2 2 320.452 3.415 20 0 DGADLP Fc1ccc([C@H](CC2CCOCC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246462153 1104549415 /nfs/dbraw/zinc/54/94/15/1104549415.db2.gz YKJBVXOQPQVDGF-MSOLQXFVSA-N 2 2 306.425 3.025 20 0 DGADLP CCCCC[C@@H]([NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2)c1ccccc1 ZINC001246468245 1104552211 /nfs/dbraw/zinc/55/22/11/1104552211.db2.gz IJMZVWYZZBSOAE-XVLXNVKGSA-N 2 2 302.462 3.417 20 0 DGADLP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC001246508188 1104570691 /nfs/dbraw/zinc/57/06/91/1104570691.db2.gz RCCNEOMLSVNVJL-LJQANCHMSA-N 2 2 313.420 3.084 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CCC=C(C)C)cc1 ZINC001246524056 1104577344 /nfs/dbraw/zinc/57/73/44/1104577344.db2.gz IRTYMCWKLFRVSY-YOEHRIQHSA-N 2 2 304.434 3.198 20 0 DGADLP c1ccc(C[N@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246557698 1104594390 /nfs/dbraw/zinc/59/43/90/1104594390.db2.gz NXVRVIFHAZIEFF-UFRUDQCGSA-N 2 2 307.441 3.367 20 0 DGADLP c1ccc(C[N@@H+](Cc2ccccn2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246557698 1104594393 /nfs/dbraw/zinc/59/43/93/1104594393.db2.gz NXVRVIFHAZIEFF-UFRUDQCGSA-N 2 2 307.441 3.367 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614398 1104628827 /nfs/dbraw/zinc/62/88/27/1104628827.db2.gz SNTOCELEBBBZKX-FUHWJXTLSA-N 2 2 320.864 3.109 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614398 1104628828 /nfs/dbraw/zinc/62/88/28/1104628828.db2.gz SNTOCELEBBBZKX-FUHWJXTLSA-N 2 2 320.864 3.109 20 0 DGADLP CSC(C)(C)C[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246618326 1104631466 /nfs/dbraw/zinc/63/14/66/1104631466.db2.gz JISHFJWTGULJBF-COXVUDFISA-N 2 2 304.503 3.478 20 0 DGADLP CSC(C)(C)C[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246618326 1104631471 /nfs/dbraw/zinc/63/14/71/1104631471.db2.gz JISHFJWTGULJBF-COXVUDFISA-N 2 2 304.503 3.478 20 0 DGADLP Cc1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001246620004 1104631479 /nfs/dbraw/zinc/63/14/79/1104631479.db2.gz PKNZJUBMOSRQSZ-NDXORKPFSA-N 2 2 306.453 3.497 20 0 DGADLP Cc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001246620004 1104631482 /nfs/dbraw/zinc/63/14/82/1104631482.db2.gz PKNZJUBMOSRQSZ-NDXORKPFSA-N 2 2 306.453 3.497 20 0 DGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621688 1104632586 /nfs/dbraw/zinc/63/25/86/1104632586.db2.gz PSEKRSVNGPKWJO-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621688 1104632588 /nfs/dbraw/zinc/63/25/88/1104632588.db2.gz PSEKRSVNGPKWJO-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621780 1104633436 /nfs/dbraw/zinc/63/34/36/1104633436.db2.gz QADVJACLTXZNOR-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621780 1104633441 /nfs/dbraw/zinc/63/34/41/1104633441.db2.gz QADVJACLTXZNOR-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP CCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275121027 1104634595 /nfs/dbraw/zinc/63/45/95/1104634595.db2.gz RZKLQOLCWTZBIS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275121027 1104634596 /nfs/dbraw/zinc/63/45/96/1104634596.db2.gz RZKLQOLCWTZBIS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275121027 1104634599 /nfs/dbraw/zinc/63/45/99/1104634599.db2.gz RZKLQOLCWTZBIS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275121027 1104634601 /nfs/dbraw/zinc/63/46/01/1104634601.db2.gz RZKLQOLCWTZBIS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627289 1104634667 /nfs/dbraw/zinc/63/46/67/1104634667.db2.gz IWZDHBHJHQFHCE-GUYCJALGSA-N 2 2 310.844 3.486 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627289 1104634669 /nfs/dbraw/zinc/63/46/69/1104634669.db2.gz IWZDHBHJHQFHCE-GUYCJALGSA-N 2 2 310.844 3.486 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246646870 1104643526 /nfs/dbraw/zinc/64/35/26/1104643526.db2.gz XSNSCXQRVATMDJ-VBNZEHGJSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246646870 1104643529 /nfs/dbraw/zinc/64/35/29/1104643529.db2.gz XSNSCXQRVATMDJ-VBNZEHGJSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246648447 1104645754 /nfs/dbraw/zinc/64/57/54/1104645754.db2.gz YTXRCLFDLBFTKG-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246648447 1104645758 /nfs/dbraw/zinc/64/57/58/1104645758.db2.gz YTXRCLFDLBFTKG-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCN(C)[C@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774414 1104669018 /nfs/dbraw/zinc/66/90/18/1104669018.db2.gz FARGNRQHPIZNRZ-GGPKGHCWSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCN(C)[C@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774414 1104669021 /nfs/dbraw/zinc/66/90/21/1104669021.db2.gz FARGNRQHPIZNRZ-GGPKGHCWSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@H]1CC([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246802316 1104682329 /nfs/dbraw/zinc/68/23/29/1104682329.db2.gz JKLCYNVMVXUGMD-DZKIICNBSA-N 2 2 310.482 3.102 20 0 DGADLP CC[C@H]1CC([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246802316 1104682335 /nfs/dbraw/zinc/68/23/35/1104682335.db2.gz JKLCYNVMVXUGMD-DZKIICNBSA-N 2 2 310.482 3.102 20 0 DGADLP Fc1ccc([C@@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246821202 1104691751 /nfs/dbraw/zinc/69/17/51/1104691751.db2.gz IBTVCIKHPVOLHM-WFVVYAPDSA-N 2 2 306.450 3.199 20 0 DGADLP Fc1ccc([C@@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246821202 1104691753 /nfs/dbraw/zinc/69/17/53/1104691753.db2.gz IBTVCIKHPVOLHM-WFVVYAPDSA-N 2 2 306.450 3.199 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+]([C@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842697 1104703192 /nfs/dbraw/zinc/70/31/92/1104703192.db2.gz UPBVMAOJPHTUDB-PKOBYXMFSA-N 2 2 302.462 3.073 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842697 1104703200 /nfs/dbraw/zinc/70/32/00/1104703200.db2.gz UPBVMAOJPHTUDB-PKOBYXMFSA-N 2 2 302.462 3.073 20 0 DGADLP C[C@]1(c2ccc(Cl)cc2)C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001246844286 1104703228 /nfs/dbraw/zinc/70/32/28/1104703228.db2.gz LNAYBPYBXIPSDI-UJJTZGENSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@]1(c2ccc(Cl)cc2)C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001246844286 1104703238 /nfs/dbraw/zinc/70/32/38/1104703238.db2.gz LNAYBPYBXIPSDI-UJJTZGENSA-N 2 2 320.864 3.170 20 0 DGADLP C[N@@H+]1CCCC2(CC[NH+](Cc3c(F)cc(F)cc3F)CC2)C1 ZINC001275290651 1104707213 /nfs/dbraw/zinc/70/72/13/1104707213.db2.gz VKTZRSJUXRSAMZ-UHFFFAOYSA-N 2 2 312.379 3.412 20 0 DGADLP C[N@H+]1CCCC2(CC[NH+](Cc3c(F)cc(F)cc3F)CC2)C1 ZINC001275290651 1104707221 /nfs/dbraw/zinc/70/72/21/1104707221.db2.gz VKTZRSJUXRSAMZ-UHFFFAOYSA-N 2 2 312.379 3.412 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246866960 1104712852 /nfs/dbraw/zinc/71/28/52/1104712852.db2.gz LOKZCYISMLYEAU-MOPGFXCFSA-N 2 2 314.473 3.414 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246866960 1104712858 /nfs/dbraw/zinc/71/28/58/1104712858.db2.gz LOKZCYISMLYEAU-MOPGFXCFSA-N 2 2 314.473 3.414 20 0 DGADLP CC(C)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001246881226 1104719284 /nfs/dbraw/zinc/71/92/84/1104719284.db2.gz YYVGCBSLSZEHNY-WOJBJXKFSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001246881226 1104719290 /nfs/dbraw/zinc/71/92/90/1104719290.db2.gz YYVGCBSLSZEHNY-WOJBJXKFSA-N 2 2 312.457 3.336 20 0 DGADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246915394 1104735212 /nfs/dbraw/zinc/73/52/12/1104735212.db2.gz NGCKGCIWNUCOCN-QXAKKESOSA-N 2 2 320.452 3.284 20 0 DGADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246915394 1104735217 /nfs/dbraw/zinc/73/52/17/1104735217.db2.gz NGCKGCIWNUCOCN-QXAKKESOSA-N 2 2 320.452 3.284 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994006 1104767358 /nfs/dbraw/zinc/76/73/58/1104767358.db2.gz OEWMOQNQOYMFMX-HOTGVXAUSA-N 2 2 304.434 3.158 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994006 1104767363 /nfs/dbraw/zinc/76/73/63/1104767363.db2.gz OEWMOQNQOYMFMX-HOTGVXAUSA-N 2 2 304.434 3.158 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001247004126 1104772589 /nfs/dbraw/zinc/77/25/89/1104772589.db2.gz PFKRNRYKCAEAFX-WBMJQRKESA-N 2 2 323.278 3.338 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001247004126 1104772594 /nfs/dbraw/zinc/77/25/94/1104772594.db2.gz PFKRNRYKCAEAFX-WBMJQRKESA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001247006400 1104773898 /nfs/dbraw/zinc/77/38/98/1104773898.db2.gz UFYBMCZWTKDLFF-YYAJDYIMSA-N 2 2 319.468 3.033 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc3ccc(F)cc13)C2 ZINC001275484770 1104775683 /nfs/dbraw/zinc/77/56/83/1104775683.db2.gz FIEQWPNTJASMQO-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc3ccc(F)cc13)C2 ZINC001275484770 1104775688 /nfs/dbraw/zinc/77/56/88/1104775688.db2.gz FIEQWPNTJASMQO-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1coc3ccc(F)cc13)C2 ZINC001275484770 1104775691 /nfs/dbraw/zinc/77/56/91/1104775691.db2.gz FIEQWPNTJASMQO-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1coc3ccc(F)cc13)C2 ZINC001275484770 1104775697 /nfs/dbraw/zinc/77/56/97/1104775697.db2.gz FIEQWPNTJASMQO-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP [NH3+]CCCCc1[nH]c2cc(Cl)c(OC(F)(F)F)cc2[nH+]1 ZINC001247014851 1104777684 /nfs/dbraw/zinc/77/76/84/1104777684.db2.gz QXFRVRGVYYOSQW-UHFFFAOYSA-N 2 2 307.703 3.396 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3ncsc3c1)C2 ZINC001275560964 1104809253 /nfs/dbraw/zinc/80/92/53/1104809253.db2.gz SSAORAAESYANKG-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3ncsc3c1)C2 ZINC001275560964 1104809261 /nfs/dbraw/zinc/80/92/61/1104809261.db2.gz SSAORAAESYANKG-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3ncsc3c1)C2 ZINC001275560964 1104809269 /nfs/dbraw/zinc/80/92/69/1104809269.db2.gz SSAORAAESYANKG-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3ncsc3c1)C2 ZINC001275560964 1104809277 /nfs/dbraw/zinc/80/92/77/1104809277.db2.gz SSAORAAESYANKG-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746125 1104891034 /nfs/dbraw/zinc/89/10/34/1104891034.db2.gz WGRNAGASAQJHHH-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746125 1104891040 /nfs/dbraw/zinc/89/10/40/1104891040.db2.gz WGRNAGASAQJHHH-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746125 1104891045 /nfs/dbraw/zinc/89/10/45/1104891045.db2.gz WGRNAGASAQJHHH-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746125 1104891053 /nfs/dbraw/zinc/89/10/53/1104891053.db2.gz WGRNAGASAQJHHH-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)c(F)ccc3OC)(C1)CCC2 ZINC001275836537 1104927069 /nfs/dbraw/zinc/92/70/69/1104927069.db2.gz XYDAFWBMRVZQCE-DLBZAZTESA-N 2 2 310.388 3.128 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cccc4occc43)no2)cc1 ZINC001247698114 1104958385 /nfs/dbraw/zinc/95/83/85/1104958385.db2.gz IJOAMHGRIWNNHO-OAHLLOKOSA-N 2 2 320.352 3.108 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC001247702018 1104959691 /nfs/dbraw/zinc/95/96/91/1104959691.db2.gz UWJGSXSAWZIFGG-CQSZACIVSA-N 2 2 314.776 3.016 20 0 DGADLP COc1cccc(OC)c1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275946660 1104965335 /nfs/dbraw/zinc/96/53/35/1104965335.db2.gz RTXVQLWJCGOEAO-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275946660 1104965341 /nfs/dbraw/zinc/96/53/41/1104965341.db2.gz RTXVQLWJCGOEAO-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275946660 1104965347 /nfs/dbraw/zinc/96/53/47/1104965347.db2.gz RTXVQLWJCGOEAO-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275946660 1104965350 /nfs/dbraw/zinc/96/53/50/1104965350.db2.gz RTXVQLWJCGOEAO-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP [NH3+]C1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CCCCC1 ZINC001247838166 1104998411 /nfs/dbraw/zinc/99/84/11/1104998411.db2.gz CSFJTURKSCVECI-UHFFFAOYSA-N 2 2 309.373 3.040 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3coc(-c4ccccc4)n3)(C1)CCC2 ZINC001276091368 1105015587 /nfs/dbraw/zinc/01/55/87/1105015587.db2.gz OLJSHXHKFKAAGM-RBUKOAKNSA-N 2 2 311.429 3.496 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106666 1105017655 /nfs/dbraw/zinc/01/76/55/1105017655.db2.gz NQEKAPWFQGPFMA-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106666 1105017660 /nfs/dbraw/zinc/01/76/60/1105017660.db2.gz NQEKAPWFQGPFMA-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106666 1105017666 /nfs/dbraw/zinc/01/76/66/1105017666.db2.gz NQEKAPWFQGPFMA-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106666 1105017673 /nfs/dbraw/zinc/01/76/73/1105017673.db2.gz NQEKAPWFQGPFMA-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP c1cn(-c2ccc(-c3noc([C@@H]4CCCCC[NH2+]4)n3)cc2)c[nH+]1 ZINC001249189818 1105243032 /nfs/dbraw/zinc/24/30/32/1105243032.db2.gz PQVUVHTUSGGSLN-HNNXBMFYSA-N 2 2 309.373 3.127 20 0 DGADLP CCSc1ncc2cccc(C[N@H+](CC)CCC[NH+](C)C)n21 ZINC001249501545 1105299255 /nfs/dbraw/zinc/29/92/55/1105299255.db2.gz ZVDIMVCRJYLFFZ-UHFFFAOYSA-N 2 2 320.506 3.220 20 0 DGADLP CCSc1ncc2cccc(C[N@@H+](CC)CCC[NH+](C)C)n21 ZINC001249501545 1105299256 /nfs/dbraw/zinc/29/92/56/1105299256.db2.gz ZVDIMVCRJYLFFZ-UHFFFAOYSA-N 2 2 320.506 3.220 20 0 DGADLP CCN1CCc2ccc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)cc21 ZINC001249670799 1105351044 /nfs/dbraw/zinc/35/10/44/1105351044.db2.gz CIUMQPSFOAIYJN-UHFFFAOYSA-N 2 2 313.489 3.128 20 0 DGADLP CCN1CCc2ccc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)cc21 ZINC001249670799 1105351050 /nfs/dbraw/zinc/35/10/50/1105351050.db2.gz CIUMQPSFOAIYJN-UHFFFAOYSA-N 2 2 313.489 3.128 20 0 DGADLP Cc1ccc(CCc2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)o1 ZINC001250560641 1105537625 /nfs/dbraw/zinc/53/76/25/1105537625.db2.gz LOVORFIVOKFUFC-UHFFFAOYSA-N 2 2 324.428 3.001 20 0 DGADLP CCCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001252119495 1105743370 /nfs/dbraw/zinc/74/33/70/1105743370.db2.gz YTTGEXQYVLWPIC-IBGZPJMESA-N 2 2 322.468 3.239 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC001253384569 1105932811 /nfs/dbraw/zinc/93/28/11/1105932811.db2.gz ZHWLFNXMAJLUND-SFHVURJKSA-N 2 2 312.457 3.115 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254514028 1106088899 /nfs/dbraw/zinc/08/88/99/1106088899.db2.gz IEWYTOONGGILFQ-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254514028 1106088904 /nfs/dbraw/zinc/08/89/04/1106088904.db2.gz IEWYTOONGGILFQ-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523608 1106091885 /nfs/dbraw/zinc/09/18/85/1106091885.db2.gz QAEMAIWHARZSOV-ZDUSSCGKSA-N 2 2 309.251 3.249 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523608 1106091890 /nfs/dbraw/zinc/09/18/90/1106091890.db2.gz QAEMAIWHARZSOV-ZDUSSCGKSA-N 2 2 309.251 3.249 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523608 1106091895 /nfs/dbraw/zinc/09/18/95/1106091895.db2.gz QAEMAIWHARZSOV-ZDUSSCGKSA-N 2 2 309.251 3.249 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523608 1106091899 /nfs/dbraw/zinc/09/18/99/1106091899.db2.gz QAEMAIWHARZSOV-ZDUSSCGKSA-N 2 2 309.251 3.249 20 0 DGADLP CC[NH+]([C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254526976 1106092557 /nfs/dbraw/zinc/09/25/57/1106092557.db2.gz VBCIPXHMXWXDIR-UXHICEINSA-N 2 2 315.505 3.067 20 0 DGADLP CC[NH+]([C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526976 1106092561 /nfs/dbraw/zinc/09/25/61/1106092561.db2.gz VBCIPXHMXWXDIR-UXHICEINSA-N 2 2 315.505 3.067 20 0 DGADLP Cc1cc(C[NH+](Cc2ccccc2)[C@@H]2CCC[N@@H+](C)CC2)on1 ZINC001254530608 1106095393 /nfs/dbraw/zinc/09/53/93/1106095393.db2.gz ZKVUUCDOCJOHDJ-GOSISDBHSA-N 2 2 313.445 3.470 20 0 DGADLP Cc1cc(C[NH+](Cc2ccccc2)[C@@H]2CCC[N@H+](C)CC2)on1 ZINC001254530608 1106095401 /nfs/dbraw/zinc/09/54/01/1106095401.db2.gz ZKVUUCDOCJOHDJ-GOSISDBHSA-N 2 2 313.445 3.470 20 0 DGADLP Cc1cc(C[N@H+](Cc2ccccc2)[C@@H]2CCC[NH+](C)CC2)on1 ZINC001254530608 1106095405 /nfs/dbraw/zinc/09/54/05/1106095405.db2.gz ZKVUUCDOCJOHDJ-GOSISDBHSA-N 2 2 313.445 3.470 20 0 DGADLP Cc1cc(C[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH+](C)CC2)on1 ZINC001254530608 1106095412 /nfs/dbraw/zinc/09/54/12/1106095412.db2.gz ZKVUUCDOCJOHDJ-GOSISDBHSA-N 2 2 313.445 3.470 20 0 DGADLP FC(F)(F)c1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254831000 1106145191 /nfs/dbraw/zinc/14/51/91/1106145191.db2.gz IYPUCDWRZJBECN-INIZCTEOSA-N 2 2 312.379 3.322 20 0 DGADLP Clc1cccc(OCCC[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254836548 1106145918 /nfs/dbraw/zinc/14/59/18/1106145918.db2.gz MSGOFNAEDZYBDE-INIZCTEOSA-N 2 2 308.853 3.183 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254960493 1106160448 /nfs/dbraw/zinc/16/04/48/1106160448.db2.gz JMGOJPDCWJRKGY-HZPDHXFCSA-N 2 2 309.413 3.062 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254960493 1106160452 /nfs/dbraw/zinc/16/04/52/1106160452.db2.gz JMGOJPDCWJRKGY-HZPDHXFCSA-N 2 2 309.413 3.062 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122861 1106184106 /nfs/dbraw/zinc/18/41/06/1106184106.db2.gz WKXIELGOCRTZGL-NNZMDNLPSA-N 2 2 300.446 3.139 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122861 1106184108 /nfs/dbraw/zinc/18/41/08/1106184108.db2.gz WKXIELGOCRTZGL-NNZMDNLPSA-N 2 2 300.446 3.139 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129498 1106186560 /nfs/dbraw/zinc/18/65/60/1106186560.db2.gz ZTSPLYWKNOAFRJ-OKYOBFRVSA-N 2 2 312.457 3.283 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129498 1106186562 /nfs/dbraw/zinc/18/65/62/1106186562.db2.gz ZTSPLYWKNOAFRJ-OKYOBFRVSA-N 2 2 312.457 3.283 20 0 DGADLP FC(F)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149440 1106190801 /nfs/dbraw/zinc/19/08/01/1106190801.db2.gz JESVPFOGYIPIAM-FVQHAEBGSA-N 2 2 306.400 3.379 20 0 DGADLP FC(F)C1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149440 1106190805 /nfs/dbraw/zinc/19/08/05/1106190805.db2.gz JESVPFOGYIPIAM-FVQHAEBGSA-N 2 2 306.400 3.379 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)nc1 ZINC001255394167 1106241811 /nfs/dbraw/zinc/24/18/11/1106241811.db2.gz STORXSBTNXVPBK-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001255394167 1106241813 /nfs/dbraw/zinc/24/18/13/1106241813.db2.gz STORXSBTNXVPBK-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401944 1106244843 /nfs/dbraw/zinc/24/48/43/1106244843.db2.gz YUFWXVHXWDRCRW-QRVBRYPASA-N 2 2 312.457 3.237 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401944 1106244845 /nfs/dbraw/zinc/24/48/45/1106244845.db2.gz YUFWXVHXWDRCRW-QRVBRYPASA-N 2 2 312.457 3.237 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401944 1106244847 /nfs/dbraw/zinc/24/48/47/1106244847.db2.gz YUFWXVHXWDRCRW-QRVBRYPASA-N 2 2 312.457 3.237 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401944 1106244849 /nfs/dbraw/zinc/24/48/49/1106244849.db2.gz YUFWXVHXWDRCRW-QRVBRYPASA-N 2 2 312.457 3.237 20 0 DGADLP O=C1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255401381 1106245460 /nfs/dbraw/zinc/24/54/60/1106245460.db2.gz UAABBSASHJXUFT-SFHVURJKSA-N 2 2 300.446 3.096 20 0 DGADLP O=C1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255401381 1106245462 /nfs/dbraw/zinc/24/54/62/1106245462.db2.gz UAABBSASHJXUFT-SFHVURJKSA-N 2 2 300.446 3.096 20 0 DGADLP O=C1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255401381 1106245466 /nfs/dbraw/zinc/24/54/66/1106245466.db2.gz UAABBSASHJXUFT-SFHVURJKSA-N 2 2 300.446 3.096 20 0 DGADLP O=C1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255401381 1106245469 /nfs/dbraw/zinc/24/54/69/1106245469.db2.gz UAABBSASHJXUFT-SFHVURJKSA-N 2 2 300.446 3.096 20 0 DGADLP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001255642895 1106283153 /nfs/dbraw/zinc/28/31/53/1106283153.db2.gz IILJCFPCEVLKRU-NSHDSACASA-N 2 2 304.331 3.416 20 0 DGADLP COc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC001255667623 1106290548 /nfs/dbraw/zinc/29/05/48/1106290548.db2.gz NBYNHRZPKULLLK-YHWZYXNKSA-N 2 2 310.388 3.078 20 0 DGADLP COc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC001255667623 1106290552 /nfs/dbraw/zinc/29/05/52/1106290552.db2.gz NBYNHRZPKULLLK-YHWZYXNKSA-N 2 2 310.388 3.078 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c(OC)c1F ZINC001255947002 1106345942 /nfs/dbraw/zinc/34/59/42/1106345942.db2.gz MNIXEOHEEFGNPH-GFCCVEGCSA-N 2 2 300.393 3.183 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(Br)n1 ZINC001255944890 1106346491 /nfs/dbraw/zinc/34/64/91/1106346491.db2.gz CHCWRVGKZFHYMJ-GFCCVEGCSA-N 2 2 314.271 3.054 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001255964489 1106350809 /nfs/dbraw/zinc/35/08/09/1106350809.db2.gz YRHBMUHHHLXPJP-INIZCTEOSA-N 3 2 318.509 3.049 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255968672 1106351931 /nfs/dbraw/zinc/35/19/31/1106351931.db2.gz FGNZUZCCZUWZAQ-KRWDZBQOSA-N 3 2 309.542 3.446 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255968672 1106351934 /nfs/dbraw/zinc/35/19/34/1106351934.db2.gz FGNZUZCCZUWZAQ-KRWDZBQOSA-N 3 2 309.542 3.446 20 0 DGADLP COc1ccccc1C[C@H](C)[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256080784 1106366347 /nfs/dbraw/zinc/36/63/47/1106366347.db2.gz BHUJJTDBMHGYIZ-HNNXBMFYSA-N 2 2 302.462 3.185 20 0 DGADLP COc1ccccc1C[C@H](C)[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256080784 1106366351 /nfs/dbraw/zinc/36/63/51/1106366351.db2.gz BHUJJTDBMHGYIZ-HNNXBMFYSA-N 2 2 302.462 3.185 20 0 DGADLP COc1cccc(C[C@H](C)[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001256161495 1106381616 /nfs/dbraw/zinc/38/16/16/1106381616.db2.gz OADFPZHMCRNPRX-INIZCTEOSA-N 2 2 314.473 3.044 20 0 DGADLP COc1cccc(C[C@H](C)[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001256161495 1106381618 /nfs/dbraw/zinc/38/16/18/1106381618.db2.gz OADFPZHMCRNPRX-INIZCTEOSA-N 2 2 314.473 3.044 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC001256170797 1106383519 /nfs/dbraw/zinc/38/35/19/1106383519.db2.gz KMPPQZBBQGRRKN-ZDUSSCGKSA-N 2 2 313.283 3.312 20 0 DGADLP C[NH+]1CCC([NH+]2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC001256207306 1106390974 /nfs/dbraw/zinc/39/09/74/1106390974.db2.gz HIPLZIOPMIMXFV-UHFFFAOYSA-N 2 2 308.853 3.277 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001256215707 1106391575 /nfs/dbraw/zinc/39/15/75/1106391575.db2.gz RAQZWHZCTQOUID-CYBMUJFWSA-N 2 2 322.250 3.257 20 0 DGADLP CC(C)CC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001256364686 1106409979 /nfs/dbraw/zinc/40/99/79/1106409979.db2.gz UMZHNGZTORHZBG-YTQUADARSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001256364686 1106409981 /nfs/dbraw/zinc/40/99/81/1106409981.db2.gz UMZHNGZTORHZBG-YTQUADARSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001256364686 1106409982 /nfs/dbraw/zinc/40/99/82/1106409982.db2.gz UMZHNGZTORHZBG-YTQUADARSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001256364686 1106409984 /nfs/dbraw/zinc/40/99/84/1106409984.db2.gz UMZHNGZTORHZBG-YTQUADARSA-N 2 2 301.478 3.270 20 0 DGADLP CCOC1CCC(N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001256447468 1106425477 /nfs/dbraw/zinc/42/54/77/1106425477.db2.gz OFGFHTARXVKXEW-UHFFFAOYSA-N 2 2 317.477 3.296 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529656 1106434793 /nfs/dbraw/zinc/43/47/93/1106434793.db2.gz DVWLBPYSZAKDEB-NJAFHUGGSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256529656 1106434794 /nfs/dbraw/zinc/43/47/94/1106434794.db2.gz DVWLBPYSZAKDEB-NJAFHUGGSA-N 2 2 300.446 3.141 20 0 DGADLP CC(=O)C1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552447 1106440357 /nfs/dbraw/zinc/44/03/57/1106440357.db2.gz CICPMHWRVFUPKE-UZLBHIALSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)C1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552447 1106440359 /nfs/dbraw/zinc/44/03/59/1106440359.db2.gz CICPMHWRVFUPKE-UZLBHIALSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)C1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552442 1106440451 /nfs/dbraw/zinc/44/04/51/1106440451.db2.gz CICPMHWRVFUPKE-JXFKEZNVSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)C1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552442 1106440453 /nfs/dbraw/zinc/44/04/53/1106440453.db2.gz CICPMHWRVFUPKE-JXFKEZNVSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553356 1106441980 /nfs/dbraw/zinc/44/19/80/1106441980.db2.gz FQQGOWZYASEWMN-DODZYUBVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553356 1106441983 /nfs/dbraw/zinc/44/19/83/1106441983.db2.gz FQQGOWZYASEWMN-DODZYUBVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553356 1106441986 /nfs/dbraw/zinc/44/19/86/1106441986.db2.gz FQQGOWZYASEWMN-DODZYUBVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553356 1106441988 /nfs/dbraw/zinc/44/19/88/1106441988.db2.gz FQQGOWZYASEWMN-DODZYUBVSA-N 2 2 302.462 3.149 20 0 DGADLP Clc1ccnc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256595888 1106450918 /nfs/dbraw/zinc/45/09/18/1106450918.db2.gz MKFJFSJCZXDLGI-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC001256599461 1106451658 /nfs/dbraw/zinc/45/16/58/1106451658.db2.gz RDBAOUNDDFYMIM-KRWDZBQOSA-N 2 2 316.470 3.036 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001256637144 1106459014 /nfs/dbraw/zinc/45/90/14/1106459014.db2.gz QHJOPKDUGUEQDT-WMZOPIPTSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)C2 ZINC001256641080 1106460622 /nfs/dbraw/zinc/46/06/22/1106460622.db2.gz KETMQBBSHUVSLP-SJORKVTESA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)C2 ZINC001256641080 1106460626 /nfs/dbraw/zinc/46/06/26/1106460626.db2.gz KETMQBBSHUVSLP-SJORKVTESA-N 2 2 316.489 3.263 20 0 DGADLP C[C@@H](Cc1ccncc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256732697 1106475935 /nfs/dbraw/zinc/47/59/35/1106475935.db2.gz QCVMRAKYELIANU-SZMVWBNQSA-N 2 2 310.445 3.184 20 0 DGADLP c1cn([C@@H]2CCO[C@H](c3ccccc3)C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001256824411 1106491710 /nfs/dbraw/zinc/49/17/10/1106491710.db2.gz OLQBBALAKBBSNC-KURKYZTESA-N 2 2 311.429 3.443 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ncccc1F ZINC001256905337 1106507814 /nfs/dbraw/zinc/50/78/14/1106507814.db2.gz OOEMEZKMXNWYKG-OAHLLOKOSA-N 2 2 319.468 3.495 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)c1ncccc1F ZINC001256905337 1106507818 /nfs/dbraw/zinc/50/78/18/1106507818.db2.gz OOEMEZKMXNWYKG-OAHLLOKOSA-N 2 2 319.468 3.495 20 0 DGADLP Fc1ccc(C2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001256907577 1106507874 /nfs/dbraw/zinc/50/78/74/1106507874.db2.gz DWWZIUYAQXWXRS-INIZCTEOSA-N 2 2 317.452 3.249 20 0 DGADLP Fc1ccc(C2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001256907577 1106507876 /nfs/dbraw/zinc/50/78/76/1106507876.db2.gz DWWZIUYAQXWXRS-INIZCTEOSA-N 2 2 317.452 3.249 20 0 DGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC001257212116 1106552592 /nfs/dbraw/zinc/55/25/92/1106552592.db2.gz UVZCICRCYYUADY-UHFFFAOYSA-N 2 2 324.852 3.089 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001257381001 1106577360 /nfs/dbraw/zinc/57/73/60/1106577360.db2.gz GJELCAGFKRVKIV-IAGOWNOFSA-N 2 2 312.498 3.208 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257402921 1106582275 /nfs/dbraw/zinc/58/22/75/1106582275.db2.gz DIAUMCXWHXOIGE-INIZCTEOSA-N 2 2 312.498 3.303 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257402921 1106582279 /nfs/dbraw/zinc/58/22/79/1106582279.db2.gz DIAUMCXWHXOIGE-INIZCTEOSA-N 2 2 312.498 3.303 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCCCC1)[C@@H]2C ZINC001257457421 1106592675 /nfs/dbraw/zinc/59/26/75/1106592675.db2.gz FQZBWERMSBKSPY-OAHLLOKOSA-N 2 2 304.482 3.433 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCCCC1)[C@@H]2C ZINC001257457421 1106592678 /nfs/dbraw/zinc/59/26/78/1106592678.db2.gz FQZBWERMSBKSPY-OAHLLOKOSA-N 2 2 304.482 3.433 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCCCC1)[C@@H]2C ZINC001257457421 1106592685 /nfs/dbraw/zinc/59/26/85/1106592685.db2.gz FQZBWERMSBKSPY-OAHLLOKOSA-N 2 2 304.482 3.433 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001257569335 1106607437 /nfs/dbraw/zinc/60/74/37/1106607437.db2.gz XXTBCTHQFMJOFJ-ZDUSSCGKSA-N 2 2 323.278 3.160 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001257569335 1106607439 /nfs/dbraw/zinc/60/74/39/1106607439.db2.gz XXTBCTHQFMJOFJ-ZDUSSCGKSA-N 2 2 323.278 3.160 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CCO2 ZINC001258005963 1106656700 /nfs/dbraw/zinc/65/67/00/1106656700.db2.gz ZDAULAFNDREZLI-SFHVURJKSA-N 2 2 318.461 3.229 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001258019908 1106659125 /nfs/dbraw/zinc/65/91/25/1106659125.db2.gz JDWWBYJMXDIMNL-MRXNPFEDSA-N 2 2 306.494 3.331 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001258019908 1106659127 /nfs/dbraw/zinc/65/91/27/1106659127.db2.gz JDWWBYJMXDIMNL-MRXNPFEDSA-N 2 2 306.494 3.331 20 0 DGADLP CCOC(=O)CCC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258116880 1106676255 /nfs/dbraw/zinc/67/62/55/1106676255.db2.gz UTVROCJOKOPAIC-AWEZNQCLSA-N 2 2 315.417 3.303 20 0 DGADLP C[N@H+](Cc1ccccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140633 1106680177 /nfs/dbraw/zinc/68/01/77/1106680177.db2.gz AGERGTDBPIVZBW-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[N@@H+](Cc1ccccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140633 1106680179 /nfs/dbraw/zinc/68/01/79/1106680179.db2.gz AGERGTDBPIVZBW-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258165477 1106684570 /nfs/dbraw/zinc/68/45/70/1106684570.db2.gz MVTXTIVJZWXGCB-MUPNANLLSA-N 2 2 313.489 3.270 20 0 DGADLP Cc1cc(N2CC[NH+](C3C[C@H](C)C[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001258175665 1106687717 /nfs/dbraw/zinc/68/77/17/1106687717.db2.gz VWPUNASNOHMZJE-ZIAGYGMSSA-N 2 2 302.466 3.040 20 0 DGADLP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258182460 1106689661 /nfs/dbraw/zinc/68/96/61/1106689661.db2.gz ZWAFEJXIFGSTCW-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CCSC ZINC001258213577 1106697914 /nfs/dbraw/zinc/69/79/14/1106697914.db2.gz SKPHMXWXBGTFSC-RYQLBKOJSA-N 2 2 322.518 3.007 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CCSC ZINC001258213577 1106697918 /nfs/dbraw/zinc/69/79/18/1106697918.db2.gz SKPHMXWXBGTFSC-RYQLBKOJSA-N 2 2 322.518 3.007 20 0 DGADLP c1cn(Cc2noc3c2C[N@@H+](C2CCCCCCC2)CC3)c[nH+]1 ZINC001258237093 1106703322 /nfs/dbraw/zinc/70/33/22/1106703322.db2.gz FSOPFURNRAUIOP-UHFFFAOYSA-N 2 2 314.433 3.390 20 0 DGADLP CC1(C)CCC[C@@H]([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C1 ZINC001258286222 1106709926 /nfs/dbraw/zinc/70/99/26/1106709926.db2.gz IYGLGZCVVSXICI-QGZVFWFLSA-N 2 2 316.493 3.263 20 0 DGADLP CC1(C)CCC[C@@H]([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C1 ZINC001258286222 1106709930 /nfs/dbraw/zinc/70/99/30/1106709930.db2.gz IYGLGZCVVSXICI-QGZVFWFLSA-N 2 2 316.493 3.263 20 0 DGADLP CSC(C)(C)C[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001258324056 1106716229 /nfs/dbraw/zinc/71/62/29/1106716229.db2.gz LXNRFUVCQXNPSV-NSHDSACASA-N 2 2 301.525 3.476 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001258405308 1106731209 /nfs/dbraw/zinc/73/12/09/1106731209.db2.gz CZBYWDHGDMKXQR-KVSKMBFKSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001258405308 1106731213 /nfs/dbraw/zinc/73/12/13/1106731213.db2.gz CZBYWDHGDMKXQR-KVSKMBFKSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001258405308 1106731219 /nfs/dbraw/zinc/73/12/19/1106731219.db2.gz CZBYWDHGDMKXQR-KVSKMBFKSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001258405308 1106731225 /nfs/dbraw/zinc/73/12/25/1106731225.db2.gz CZBYWDHGDMKXQR-KVSKMBFKSA-N 2 2 302.462 3.042 20 0 DGADLP Fc1cccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)c1 ZINC001258411907 1106734925 /nfs/dbraw/zinc/73/49/25/1106734925.db2.gz PGQFTKIQLOHIID-UHFFFAOYSA-N 2 2 319.468 3.260 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258660895 1106887778 /nfs/dbraw/zinc/88/77/78/1106887778.db2.gz LQSIYFVUNDCBKN-VQTJNVASSA-N 2 2 316.489 3.194 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258660895 1106887788 /nfs/dbraw/zinc/88/77/88/1106887788.db2.gz LQSIYFVUNDCBKN-VQTJNVASSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001258689613 1106908186 /nfs/dbraw/zinc/90/81/86/1106908186.db2.gz HVLAWUSKZMSONB-NQYYFHDYSA-N 2 2 315.505 3.003 20 0 DGADLP COc1ccccc1C[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001258880215 1107034016 /nfs/dbraw/zinc/03/40/16/1107034016.db2.gz AEFHURIBIFURKE-CYBMUJFWSA-N 2 2 319.474 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001321095977 1107249050 /nfs/dbraw/zinc/24/90/50/1107249050.db2.gz WESVRXYHWWGOQR-INIZCTEOSA-N 2 2 309.457 3.090 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001321095977 1107249055 /nfs/dbraw/zinc/24/90/55/1107249055.db2.gz WESVRXYHWWGOQR-INIZCTEOSA-N 2 2 309.457 3.090 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001317398698 1107316197 /nfs/dbraw/zinc/31/61/97/1107316197.db2.gz BEPGWAVOYAOYKH-CQSZACIVSA-N 2 2 317.477 3.295 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)n1cc[nH+]c1 ZINC001261503951 1107454403 /nfs/dbraw/zinc/45/44/03/1107454403.db2.gz QZYOBWYATKCUEK-HNNXBMFYSA-N 2 2 312.417 3.069 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001317612354 1107563782 /nfs/dbraw/zinc/56/37/82/1107563782.db2.gz XHZXQWLZPRKXGJ-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001262569513 1107726039 /nfs/dbraw/zinc/72/60/39/1107726039.db2.gz ADZGDGIIIOJBFP-LPHOPBHVSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001262569513 1107726054 /nfs/dbraw/zinc/72/60/54/1107726054.db2.gz ADZGDGIIIOJBFP-LPHOPBHVSA-N 2 2 312.457 3.336 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccccc1Cl ZINC001318541200 1108085828 /nfs/dbraw/zinc/08/58/28/1108085828.db2.gz JXAKTGTUJDOKBB-UHFFFAOYSA-N 2 2 312.760 3.481 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001324424351 1108282787 /nfs/dbraw/zinc/28/27/87/1108282787.db2.gz JATXKQWKWLQJAT-GXTWGEPZSA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001324424351 1108282795 /nfs/dbraw/zinc/28/27/95/1108282795.db2.gz JATXKQWKWLQJAT-GXTWGEPZSA-N 2 2 316.276 3.259 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842779 1108483077 /nfs/dbraw/zinc/48/30/77/1108483077.db2.gz JFUXOPNPKKUHHZ-KXBFYZLASA-N 2 2 316.489 3.479 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842779 1108483082 /nfs/dbraw/zinc/48/30/82/1108483082.db2.gz JFUXOPNPKKUHHZ-KXBFYZLASA-N 2 2 316.489 3.479 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC2CCC1CC2 ZINC001324963900 1108539331 /nfs/dbraw/zinc/53/93/31/1108539331.db2.gz DFFIZQFBZJMTIJ-NRXISQOPSA-N 2 2 310.401 3.341 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccncc2F)[nH+]1 ZINC001324992249 1108553044 /nfs/dbraw/zinc/55/30/44/1108553044.db2.gz JZEYFPDJWILOPY-OAHLLOKOSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccncc2F)[nH+]1 ZINC001324992249 1108553058 /nfs/dbraw/zinc/55/30/58/1108553058.db2.gz JZEYFPDJWILOPY-OAHLLOKOSA-N 2 2 300.381 3.001 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000390475132 1108673838 /nfs/dbraw/zinc/67/38/38/1108673838.db2.gz ISYSPWRFMWFRRQ-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000390475132 1108673845 /nfs/dbraw/zinc/67/38/45/1108673845.db2.gz ISYSPWRFMWFRRQ-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP COCc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000393419782 1109009427 /nfs/dbraw/zinc/00/94/27/1109009427.db2.gz MFEXWWGDYHVCEG-QGZVFWFLSA-N 2 2 301.434 3.234 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901756 1111353397 /nfs/dbraw/zinc/35/33/97/1111353397.db2.gz QCBGSPNZMSOKKH-WMLDXEAASA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901756 1111353391 /nfs/dbraw/zinc/35/33/91/1111353391.db2.gz QCBGSPNZMSOKKH-WMLDXEAASA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901756 1111353394 /nfs/dbraw/zinc/35/33/94/1111353394.db2.gz QCBGSPNZMSOKKH-WMLDXEAASA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901756 1111353395 /nfs/dbraw/zinc/35/33/95/1111353395.db2.gz QCBGSPNZMSOKKH-WMLDXEAASA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC001308165661 1111387785 /nfs/dbraw/zinc/38/77/85/1111387785.db2.gz PZNYDVVSSRASIQ-QGZVFWFLSA-N 2 2 312.461 3.455 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC001308165661 1111387789 /nfs/dbraw/zinc/38/77/89/1111387789.db2.gz PZNYDVVSSRASIQ-QGZVFWFLSA-N 2 2 312.461 3.455 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001308167514 1111388891 /nfs/dbraw/zinc/38/88/91/1111388891.db2.gz SYUUUXSFWOPRMY-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC001308218111 1111399970 /nfs/dbraw/zinc/39/99/70/1111399970.db2.gz SMYIAXPRJGOELK-MRXNPFEDSA-N 2 2 305.397 3.235 20 0 DGADLP Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001308358994 1111421196 /nfs/dbraw/zinc/42/11/96/1111421196.db2.gz AGZOPHDFCGCSFT-CQSZACIVSA-N 2 2 308.385 3.132 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]CC3(C[NH+](C)C)CCCC3)sc2C1 ZINC001308367099 1111422167 /nfs/dbraw/zinc/42/21/67/1111422167.db2.gz WRCPYRVBSNLXKC-CQSZACIVSA-N 2 2 321.534 3.480 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001308598928 1111449362 /nfs/dbraw/zinc/44/93/62/1111449362.db2.gz CCWDTRBWSUXEFA-QGZVFWFLSA-N 2 2 307.457 3.198 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001308598928 1111449366 /nfs/dbraw/zinc/44/93/66/1111449366.db2.gz CCWDTRBWSUXEFA-QGZVFWFLSA-N 2 2 307.457 3.198 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001308598928 1111449368 /nfs/dbraw/zinc/44/93/68/1111449368.db2.gz CCWDTRBWSUXEFA-QGZVFWFLSA-N 2 2 307.457 3.198 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001308598928 1111449371 /nfs/dbraw/zinc/44/93/71/1111449371.db2.gz CCWDTRBWSUXEFA-QGZVFWFLSA-N 2 2 307.457 3.198 20 0 DGADLP CC1(C)CC[N@H+](Cc2ccnn2CC2CCC2)CC(C)(C)[NH2+]1 ZINC001308983288 1111504588 /nfs/dbraw/zinc/50/45/88/1111504588.db2.gz CFVNFBYNRKHAHM-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP CC1(C)CC[N@@H+](Cc2ccnn2CC2CCC2)CC(C)(C)[NH2+]1 ZINC001308983288 1111504590 /nfs/dbraw/zinc/50/45/90/1111504590.db2.gz CFVNFBYNRKHAHM-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC001308982234 1111504640 /nfs/dbraw/zinc/50/46/40/1111504640.db2.gz AZHIYCLYUBAGFG-UHFFFAOYSA-N 2 2 314.364 3.080 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000129209866 432002590 /nfs/dbraw/zinc/00/25/90/432002590.db2.gz LFKSSFMTTBLCCA-LJISPDSOSA-N 2 2 322.415 3.196 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000129209866 432002593 /nfs/dbraw/zinc/00/25/93/432002593.db2.gz LFKSSFMTTBLCCA-LJISPDSOSA-N 2 2 322.415 3.196 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1F ZINC000278481921 214181229 /nfs/dbraw/zinc/18/12/29/214181229.db2.gz KOCSLJRHPDBPPK-UONOGXRCSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1F ZINC000278481921 214181232 /nfs/dbraw/zinc/18/12/32/214181232.db2.gz KOCSLJRHPDBPPK-UONOGXRCSA-N 2 2 312.404 3.116 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cnn(C(C)(C)C)c1)Cc1ccccc1 ZINC000079065555 185152381 /nfs/dbraw/zinc/15/23/81/185152381.db2.gz SZROLWAVCTWMQE-UHFFFAOYSA-N 2 2 314.477 3.250 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cnn(C(C)(C)C)c1)Cc1ccccc1 ZINC000079065555 185152382 /nfs/dbraw/zinc/15/23/82/185152382.db2.gz SZROLWAVCTWMQE-UHFFFAOYSA-N 2 2 314.477 3.250 20 0 DGADLP COc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278689644 214328546 /nfs/dbraw/zinc/32/85/46/214328546.db2.gz MSIPHHWPBAHYLU-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(F)ccc(Br)c1F)C[NH+](C)C ZINC000310728220 231115008 /nfs/dbraw/zinc/11/50/08/231115008.db2.gz CSJQNCAQELCSQE-VIFPVBQESA-N 2 2 321.209 3.015 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430585988 529429773 /nfs/dbraw/zinc/42/97/73/529429773.db2.gz UQKPVNUYQYAEQL-RDTXWAMCSA-N 2 2 305.466 3.102 20 0 DGADLP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328639076 231274135 /nfs/dbraw/zinc/27/41/35/231274135.db2.gz PKKALKMQTGNLAZ-AYBZRNKSSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328639076 231274138 /nfs/dbraw/zinc/27/41/38/231274138.db2.gz PKKALKMQTGNLAZ-AYBZRNKSSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328639076 231274142 /nfs/dbraw/zinc/27/41/42/231274142.db2.gz PKKALKMQTGNLAZ-AYBZRNKSSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328639076 231274146 /nfs/dbraw/zinc/27/41/46/231274146.db2.gz PKKALKMQTGNLAZ-AYBZRNKSSA-N 2 2 310.445 3.162 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccsc1)C[C@H]1CC[NH2+]C1 ZINC000328655449 231292270 /nfs/dbraw/zinc/29/22/70/231292270.db2.gz YKZWYYJAXFBEDF-ZDUSSCGKSA-N 2 2 307.488 3.125 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccsc1)C[C@H]1CC[NH2+]C1 ZINC000328655449 231292272 /nfs/dbraw/zinc/29/22/72/231292272.db2.gz YKZWYYJAXFBEDF-ZDUSSCGKSA-N 2 2 307.488 3.125 20 0 DGADLP CCc1cc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000302054928 529557641 /nfs/dbraw/zinc/55/76/41/529557641.db2.gz QCQZNISNDLZMSP-AWEZNQCLSA-N 2 2 310.445 3.206 20 0 DGADLP CCc1cc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000302054928 529557642 /nfs/dbraw/zinc/55/76/42/529557642.db2.gz QCQZNISNDLZMSP-AWEZNQCLSA-N 2 2 310.445 3.206 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000342861043 282205658 /nfs/dbraw/zinc/20/56/58/282205658.db2.gz VILGIRRVZZJLBR-LBPRGKRZSA-N 2 2 305.372 3.479 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000342861043 282205661 /nfs/dbraw/zinc/20/56/61/282205661.db2.gz VILGIRRVZZJLBR-LBPRGKRZSA-N 2 2 305.372 3.479 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423229826 529613647 /nfs/dbraw/zinc/61/36/47/529613647.db2.gz CENYBHNEWYFUJM-JSGCOSHPSA-N 2 2 302.340 3.378 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cn(C(C)C)nc1C ZINC000415063016 529616935 /nfs/dbraw/zinc/61/69/35/529616935.db2.gz GOOJUCYJHLVKKG-GOSISDBHSA-N 2 2 300.450 3.124 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[nH]n1 ZINC000090530958 185300993 /nfs/dbraw/zinc/30/09/93/185300993.db2.gz INKLABCWRCXJKS-ZFWWWQNUSA-N 2 2 309.417 3.186 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000090530958 185300994 /nfs/dbraw/zinc/30/09/94/185300994.db2.gz INKLABCWRCXJKS-ZFWWWQNUSA-N 2 2 309.417 3.186 20 0 DGADLP C[N@H+](C[C@@H]1CC=CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645166 185330756 /nfs/dbraw/zinc/33/07/56/185330756.db2.gz KBZCDJNKUFYUKG-GOSISDBHSA-N 2 2 313.489 3.377 20 0 DGADLP C[N@@H+](C[C@@H]1CC=CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645166 185330757 /nfs/dbraw/zinc/33/07/57/185330757.db2.gz KBZCDJNKUFYUKG-GOSISDBHSA-N 2 2 313.489 3.377 20 0 DGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccccc1Br ZINC000181515114 199309705 /nfs/dbraw/zinc/30/97/05/199309705.db2.gz QTVCFUFKOFMVLG-UHFFFAOYSA-N 2 2 308.223 3.171 20 0 DGADLP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000183078101 199532366 /nfs/dbraw/zinc/53/23/66/199532366.db2.gz BRCYDJRQXQRUDD-VBQJREDUSA-N 2 2 312.404 3.115 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000425372687 282318355 /nfs/dbraw/zinc/31/83/55/282318355.db2.gz UCHARJLGHYJNCD-MSOLQXFVSA-N 2 2 312.461 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000425372687 282318357 /nfs/dbraw/zinc/31/83/57/282318357.db2.gz UCHARJLGHYJNCD-MSOLQXFVSA-N 2 2 312.461 3.254 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430973539 529956044 /nfs/dbraw/zinc/95/60/44/529956044.db2.gz XVWFSWDFXGDWGI-UHFFFAOYSA-N 2 2 323.440 3.123 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000430946974 529993201 /nfs/dbraw/zinc/99/32/01/529993201.db2.gz YQLAPAOPVVWFEY-ZDUSSCGKSA-N 2 2 319.836 3.345 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000430946974 529993202 /nfs/dbraw/zinc/99/32/02/529993202.db2.gz YQLAPAOPVVWFEY-ZDUSSCGKSA-N 2 2 319.836 3.345 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036551 530059960 /nfs/dbraw/zinc/05/99/60/530059960.db2.gz RWUDMHIDIVZOLF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036551 530059961 /nfs/dbraw/zinc/05/99/61/530059961.db2.gz RWUDMHIDIVZOLF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036551 530059962 /nfs/dbraw/zinc/05/99/62/530059962.db2.gz RWUDMHIDIVZOLF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036551 530059963 /nfs/dbraw/zinc/05/99/63/530059963.db2.gz RWUDMHIDIVZOLF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000104096147 432014500 /nfs/dbraw/zinc/01/45/00/432014500.db2.gz GSUJREQIHUPNSY-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP C[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000104096147 432014502 /nfs/dbraw/zinc/01/45/02/432014502.db2.gz GSUJREQIHUPNSY-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1ccc(Br)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000104096147 432014503 /nfs/dbraw/zinc/01/45/03/432014503.db2.gz GSUJREQIHUPNSY-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1ccc(Br)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104096147 432014506 /nfs/dbraw/zinc/01/45/06/432014506.db2.gz GSUJREQIHUPNSY-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP COC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000286889452 219211317 /nfs/dbraw/zinc/21/13/17/219211317.db2.gz IVINRKBOGSOTAV-AWEZNQCLSA-N 2 2 311.788 3.043 20 0 DGADLP COCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000272629376 210030899 /nfs/dbraw/zinc/03/08/99/210030899.db2.gz XRSDVZJMCBBVGU-QGZVFWFLSA-N 2 2 311.385 3.333 20 0 DGADLP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130262810 432019585 /nfs/dbraw/zinc/01/95/85/432019585.db2.gz RTZXFGOYGNXTMA-LPHOPBHVSA-N 2 2 321.424 3.127 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1OC ZINC000279793923 215153833 /nfs/dbraw/zinc/15/38/33/215153833.db2.gz DAPLQSLJFQXJCB-UONOGXRCSA-N 2 2 308.466 3.126 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000279959126 215271273 /nfs/dbraw/zinc/27/12/73/215271273.db2.gz PBGNLZGRZRXHBL-CABCVRRESA-N 2 2 317.433 3.072 20 0 DGADLP Fc1ccc2[nH]cc(C3CC[NH+](CCn4cc[nH+]c4)CC3)c2c1 ZINC000287109380 219318895 /nfs/dbraw/zinc/31/88/95/219318895.db2.gz YISRCWQAACZVJV-UHFFFAOYSA-N 2 2 312.392 3.383 20 0 DGADLP Cc1ccncc1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000280003521 215305159 /nfs/dbraw/zinc/30/51/59/215305159.db2.gz RYRRTNWKNMWLAB-MRXNPFEDSA-N 2 2 301.459 3.378 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150797565 186066588 /nfs/dbraw/zinc/06/65/88/186066588.db2.gz CCVBDCDETQGYOX-OAHLLOKOSA-N 2 2 323.278 3.367 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150797565 186066589 /nfs/dbraw/zinc/06/65/89/186066589.db2.gz CCVBDCDETQGYOX-OAHLLOKOSA-N 2 2 323.278 3.367 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152432837 186072243 /nfs/dbraw/zinc/07/22/43/186072243.db2.gz CQIBVCCSSVICNV-RDJZCZTQSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152432837 186072245 /nfs/dbraw/zinc/07/22/45/186072245.db2.gz CQIBVCCSSVICNV-RDJZCZTQSA-N 3 2 324.472 3.316 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152440986 186073102 /nfs/dbraw/zinc/07/31/02/186073102.db2.gz CTCGQJIZOBDWIS-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152440986 186073104 /nfs/dbraw/zinc/07/31/04/186073104.db2.gz CTCGQJIZOBDWIS-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152440986 186073106 /nfs/dbraw/zinc/07/31/06/186073106.db2.gz CTCGQJIZOBDWIS-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152440986 186073108 /nfs/dbraw/zinc/07/31/08/186073108.db2.gz CTCGQJIZOBDWIS-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP c1cn(CC[NH+]2CCC(c3nc4ccccc4s3)CC2)c[nH+]1 ZINC000152646598 186093084 /nfs/dbraw/zinc/09/30/84/186093084.db2.gz XTXUSDOMVKJTBF-UHFFFAOYSA-N 2 2 312.442 3.372 20 0 DGADLP CCCCc1nc(C[N@H+](C)CCCc2[nH+]ccn2CCC)no1 ZINC000277156017 213334309 /nfs/dbraw/zinc/33/43/09/213334309.db2.gz WLJLFRFDBVPTEE-UHFFFAOYSA-N 2 2 319.453 3.083 20 0 DGADLP CCCCc1nc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)no1 ZINC000277156017 213334312 /nfs/dbraw/zinc/33/43/12/213334312.db2.gz WLJLFRFDBVPTEE-UHFFFAOYSA-N 2 2 319.453 3.083 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000107286062 432030197 /nfs/dbraw/zinc/03/01/97/432030197.db2.gz LKOTXAXYPUDFLZ-QGZVFWFLSA-N 2 2 309.413 3.241 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000107286062 432030200 /nfs/dbraw/zinc/03/02/00/432030200.db2.gz LKOTXAXYPUDFLZ-QGZVFWFLSA-N 2 2 309.413 3.241 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C ZINC000173619824 198233081 /nfs/dbraw/zinc/23/30/81/198233081.db2.gz NXGNJYHGSJZMOE-INIZCTEOSA-N 2 2 317.477 3.093 20 0 DGADLP COc1ccc(OC)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173869685 198261871 /nfs/dbraw/zinc/26/18/71/198261871.db2.gz ZPWFHFCFTCGFCE-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173869685 198261873 /nfs/dbraw/zinc/26/18/73/198261873.db2.gz ZPWFHFCFTCGFCE-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000173875520 198263288 /nfs/dbraw/zinc/26/32/88/198263288.db2.gz HJEGLAKRMJQOFP-MRXNPFEDSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000173875520 198263289 /nfs/dbraw/zinc/26/32/89/198263289.db2.gz HJEGLAKRMJQOFP-MRXNPFEDSA-N 2 2 306.425 3.142 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000163638550 432037477 /nfs/dbraw/zinc/03/74/77/432037477.db2.gz LOWKABWGNWRFJD-FPOVZHCZSA-N 2 2 321.468 3.439 20 0 DGADLP Fc1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066979 283015034 /nfs/dbraw/zinc/01/50/34/283015034.db2.gz ZTPWWUJSTURRIT-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066979 283015039 /nfs/dbraw/zinc/01/50/39/283015039.db2.gz ZTPWWUJSTURRIT-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066979 283015041 /nfs/dbraw/zinc/01/50/41/283015041.db2.gz ZTPWWUJSTURRIT-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066979 283015044 /nfs/dbraw/zinc/01/50/44/283015044.db2.gz ZTPWWUJSTURRIT-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000423207567 283027940 /nfs/dbraw/zinc/02/79/40/283027940.db2.gz RWEXZZWXAKQGSR-RISCZKNCSA-N 2 2 317.433 3.278 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(OC)c1 ZINC000163847437 432042893 /nfs/dbraw/zinc/04/28/93/432042893.db2.gz PINIHNWTNXHYOI-AWEZNQCLSA-N 2 2 315.417 3.252 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000132363923 432048540 /nfs/dbraw/zinc/04/85/40/432048540.db2.gz GGXNAFWSOXLMPK-HCXYKTFWSA-N 3 2 309.542 3.205 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000132363923 432048544 /nfs/dbraw/zinc/04/85/44/432048544.db2.gz GGXNAFWSOXLMPK-HCXYKTFWSA-N 3 2 309.542 3.205 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179195500 432049584 /nfs/dbraw/zinc/04/95/84/432049584.db2.gz BOZOAHVNCMVNPN-JTQLQIEISA-N 2 2 318.284 3.042 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)N2CCCC2)o1 ZINC000179422283 432057496 /nfs/dbraw/zinc/05/74/96/432057496.db2.gz WCIMIKRTIBPWNI-QGZVFWFLSA-N 2 2 324.428 3.162 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166257924 432059497 /nfs/dbraw/zinc/05/94/97/432059497.db2.gz IAYFBTLYWLOJFL-DAYGRLMNSA-N 2 2 300.446 3.424 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166257924 432059498 /nfs/dbraw/zinc/05/94/98/432059498.db2.gz IAYFBTLYWLOJFL-DAYGRLMNSA-N 2 2 300.446 3.424 20 0 DGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000237017733 202124189 /nfs/dbraw/zinc/12/41/89/202124189.db2.gz OUKJRSYHDPBVDH-IAQYHMDHSA-N 2 2 316.449 3.183 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000166899172 432063378 /nfs/dbraw/zinc/06/33/78/432063378.db2.gz MMNWLXQYZJPUOL-QWHCGFSZSA-N 2 2 312.417 3.286 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000133508333 432065214 /nfs/dbraw/zinc/06/52/14/432065214.db2.gz CFXKDRAQUFGPPF-PKOBYXMFSA-N 2 2 324.472 3.227 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000133508333 432065216 /nfs/dbraw/zinc/06/52/16/432065216.db2.gz CFXKDRAQUFGPPF-PKOBYXMFSA-N 2 2 324.472 3.227 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000179636224 432065368 /nfs/dbraw/zinc/06/53/68/432065368.db2.gz VOFONAYAXBYMLU-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000179636224 432065370 /nfs/dbraw/zinc/06/53/70/432065370.db2.gz VOFONAYAXBYMLU-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000167858486 432066975 /nfs/dbraw/zinc/06/69/75/432066975.db2.gz PKMQKLOPNZQMCQ-BQFCYCMXSA-N 3 2 303.494 3.046 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000167858486 432066976 /nfs/dbraw/zinc/06/69/76/432066976.db2.gz PKMQKLOPNZQMCQ-BQFCYCMXSA-N 3 2 303.494 3.046 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000280514744 215685225 /nfs/dbraw/zinc/68/52/25/215685225.db2.gz QRBDCFQCUQGJGR-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000134121177 432073705 /nfs/dbraw/zinc/07/37/05/432073705.db2.gz YPWADZTZVIKSCK-LPHOPBHVSA-N 2 2 302.462 3.228 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000179834637 199085690 /nfs/dbraw/zinc/08/56/90/199085690.db2.gz NIOCPTJDYXPJLW-UHFFFAOYSA-N 2 2 316.424 3.178 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)[nH+]1 ZINC000180488906 199165842 /nfs/dbraw/zinc/16/58/42/199165842.db2.gz TYHQKFAASWFCSM-KRWDZBQOSA-N 2 2 306.413 3.411 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H](Nc3ccccc3)C2)[nH+]1 ZINC000180488906 199165844 /nfs/dbraw/zinc/16/58/44/199165844.db2.gz TYHQKFAASWFCSM-KRWDZBQOSA-N 2 2 306.413 3.411 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237377622 202248541 /nfs/dbraw/zinc/24/85/41/202248541.db2.gz ZJVHAXLXCSDKCA-ZFWWWQNUSA-N 2 2 312.417 3.041 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC(C)C ZINC000237352499 202241920 /nfs/dbraw/zinc/24/19/20/202241920.db2.gz BVRUDERVMBBXHP-SJORKVTESA-N 2 2 318.461 3.199 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC(C)C ZINC000237352499 202241923 /nfs/dbraw/zinc/24/19/23/202241923.db2.gz BVRUDERVMBBXHP-SJORKVTESA-N 2 2 318.461 3.199 20 0 DGADLP C[C@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CCSCC1 ZINC000474800216 299282120 /nfs/dbraw/zinc/28/21/20/299282120.db2.gz LBERDDUOZINVSC-HNNXBMFYSA-N 2 2 318.530 3.207 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)cc1 ZINC000415055390 237036076 /nfs/dbraw/zinc/03/60/76/237036076.db2.gz ORTAOCLSNVQESD-OAHLLOKOSA-N 2 2 319.474 3.282 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)s1 ZINC000415054419 237037512 /nfs/dbraw/zinc/03/75/12/237037512.db2.gz LXKLRTKXAQFEQL-NSHDSACASA-N 2 2 305.285 3.282 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415052740 237037685 /nfs/dbraw/zinc/03/76/85/237037685.db2.gz NOZRJRXTKRLSBT-DLBZAZTESA-N 2 2 318.367 3.133 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415052243 237038966 /nfs/dbraw/zinc/03/89/66/237038966.db2.gz MWMCJAAKMXKEBJ-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415052243 237038974 /nfs/dbraw/zinc/03/89/74/237038974.db2.gz MWMCJAAKMXKEBJ-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)c[nH+]c12 ZINC000415061865 237044424 /nfs/dbraw/zinc/04/44/24/237044424.db2.gz YXGWQMOWKZMGON-SFHVURJKSA-N 3 2 308.429 3.213 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)sc1Br ZINC000415065999 237049592 /nfs/dbraw/zinc/04/95/92/237049592.db2.gz IHCLUSCDLDKEJY-JTQLQIEISA-N 2 2 303.269 3.051 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1Oc1cccnc1 ZINC000415030062 237019311 /nfs/dbraw/zinc/01/93/11/237019311.db2.gz BRNYFDDKBMGKIM-SFHVURJKSA-N 2 2 311.429 3.412 20 0 DGADLP Cc1cccc2c1C[NH2+]CCN2Cc1ccc(N(C)C(C)C)[nH+]c1 ZINC000415098247 237075211 /nfs/dbraw/zinc/07/52/11/237075211.db2.gz IEKBEGGSNUHPOQ-UHFFFAOYSA-N 2 2 324.472 3.344 20 0 DGADLP Cc1cccc2c1C[NH2+]CCN2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000415096994 237078100 /nfs/dbraw/zinc/07/81/00/237078100.db2.gz FHPHBQDYZJBSAW-UHFFFAOYSA-N 2 2 318.424 3.291 20 0 DGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)CC[NH3+] ZINC000415106525 237081393 /nfs/dbraw/zinc/08/13/93/237081393.db2.gz JPPGEPDAFSEKEP-UHFFFAOYSA-N 2 2 320.440 3.238 20 0 DGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)CC[NH3+] ZINC000415106525 237081401 /nfs/dbraw/zinc/08/14/01/237081401.db2.gz JPPGEPDAFSEKEP-UHFFFAOYSA-N 2 2 320.440 3.238 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2cccs2)s1)C1CCCC1 ZINC000415072403 237055555 /nfs/dbraw/zinc/05/55/55/237055555.db2.gz YDMGSJLOKYZNLJ-ZDUSSCGKSA-N 2 2 307.488 3.479 20 0 DGADLP Fc1ccccc1OC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415086877 237067089 /nfs/dbraw/zinc/06/70/89/237067089.db2.gz VFGKQCBXSGMNPC-SJLPKXTDSA-N 2 2 314.404 3.287 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC000415132408 237105979 /nfs/dbraw/zinc/10/59/79/237105979.db2.gz UDMURGYTRGQHOJ-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC000415132408 237105988 /nfs/dbraw/zinc/10/59/88/237105988.db2.gz UDMURGYTRGQHOJ-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP Fc1ccc([C@H](NCCC[NH+]2CCCCC2)c2[nH]cc[nH+]2)cc1 ZINC000187709960 200147382 /nfs/dbraw/zinc/14/73/82/200147382.db2.gz BRONZHVVPRIHQL-KRWDZBQOSA-N 2 2 316.424 3.104 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420365028 237698374 /nfs/dbraw/zinc/69/83/74/237698374.db2.gz PTSNEHNQNPMCMO-AWEZNQCLSA-N 2 2 305.447 3.189 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000281148610 216112066 /nfs/dbraw/zinc/11/20/66/216112066.db2.gz AXJYLTUYBJSWQJ-UHFFFAOYSA-N 2 2 301.438 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000422937955 237812214 /nfs/dbraw/zinc/81/22/14/237812214.db2.gz KEDBONMYLDTDIB-OXQOHEQNSA-N 2 2 310.441 3.496 20 0 DGADLP COc1cc(Cl)ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422887868 237807593 /nfs/dbraw/zinc/80/75/93/237807593.db2.gz LPAMUKBXNIMKBM-SUMWQHHRSA-N 2 2 318.848 3.397 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000134886768 432088123 /nfs/dbraw/zinc/08/81/23/432088123.db2.gz TYBIRAAKECIRNQ-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000134886768 432088126 /nfs/dbraw/zinc/08/81/26/432088126.db2.gz TYBIRAAKECIRNQ-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134886768 432088127 /nfs/dbraw/zinc/08/81/27/432088127.db2.gz TYBIRAAKECIRNQ-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134886768 432088129 /nfs/dbraw/zinc/08/81/29/432088129.db2.gz TYBIRAAKECIRNQ-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000134886768 432088132 /nfs/dbraw/zinc/08/81/32/432088132.db2.gz TYBIRAAKECIRNQ-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000134886768 432088133 /nfs/dbraw/zinc/08/81/33/432088133.db2.gz TYBIRAAKECIRNQ-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP c1ccc2oc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134900373 432088954 /nfs/dbraw/zinc/08/89/54/432088954.db2.gz IREDHNUPHRVICC-RHSMWYFYSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134900373 432088956 /nfs/dbraw/zinc/08/89/56/432088956.db2.gz IREDHNUPHRVICC-RHSMWYFYSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000134900373 432088958 /nfs/dbraw/zinc/08/89/58/432088958.db2.gz IREDHNUPHRVICC-RHSMWYFYSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134900373 432088961 /nfs/dbraw/zinc/08/89/61/432088961.db2.gz IREDHNUPHRVICC-RHSMWYFYSA-N 2 2 311.429 3.277 20 0 DGADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996681 238037359 /nfs/dbraw/zinc/03/73/59/238037359.db2.gz BMUXEIMYWHKIRY-HLIPFELVSA-N 2 2 324.472 3.034 20 0 DGADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996681 238037360 /nfs/dbraw/zinc/03/73/60/238037360.db2.gz BMUXEIMYWHKIRY-HLIPFELVSA-N 2 2 324.472 3.034 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000430572282 238080280 /nfs/dbraw/zinc/08/02/80/238080280.db2.gz FFRUJWZCOSAENF-GOEBONIOSA-N 2 2 316.449 3.411 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000430572282 238080282 /nfs/dbraw/zinc/08/02/82/238080282.db2.gz FFRUJWZCOSAENF-GOEBONIOSA-N 2 2 316.449 3.411 20 0 DGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430576459 238080496 /nfs/dbraw/zinc/08/04/96/238080496.db2.gz XIWVNIDVDYHHQO-UONOGXRCSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430576459 238080497 /nfs/dbraw/zinc/08/04/97/238080497.db2.gz XIWVNIDVDYHHQO-UONOGXRCSA-N 2 2 323.506 3.041 20 0 DGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccccc3F)n2)CC[C@H]1[NH3+] ZINC000430957779 238091095 /nfs/dbraw/zinc/09/10/95/238091095.db2.gz UMKYSDPKOUWOIP-IAQYHMDHSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@H]1[NH3+] ZINC000430957779 238091096 /nfs/dbraw/zinc/09/10/96/238091096.db2.gz UMKYSDPKOUWOIP-IAQYHMDHSA-N 2 2 305.422 3.118 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430967270 238091453 /nfs/dbraw/zinc/09/14/53/238091453.db2.gz RHVPNZDHYCPEBU-IHRRRGAJSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430967270 238091454 /nfs/dbraw/zinc/09/14/54/238091454.db2.gz RHVPNZDHYCPEBU-IHRRRGAJSA-N 2 2 323.868 3.035 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432240059 238122836 /nfs/dbraw/zinc/12/28/36/238122836.db2.gz IUKJBUHVUPONPL-UHFFFAOYSA-N 2 2 323.289 3.255 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000281282531 216208834 /nfs/dbraw/zinc/20/88/34/216208834.db2.gz IBNWASBIFJSTPG-UHFFFAOYSA-N 2 2 309.417 3.248 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433333154 238156129 /nfs/dbraw/zinc/15/61/29/238156129.db2.gz FOYYFNNSUHSTGY-HUUCEWRRSA-N 2 2 316.449 3.127 20 0 DGADLP Clc1ccc2c(NCC3([NH+]4CCOCC4)CC3)cc[nH+]c2c1 ZINC000433790747 238167895 /nfs/dbraw/zinc/16/78/95/238167895.db2.gz DXSLACHHDOKBCM-UHFFFAOYSA-N 2 2 317.820 3.165 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@@H](CC(C)C)C3)n2c1 ZINC000271989256 209363171 /nfs/dbraw/zinc/36/31/71/209363171.db2.gz LKKSLOZDFRXZGR-WBVHZDCISA-N 2 2 301.434 3.326 20 0 DGADLP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000271904087 209311935 /nfs/dbraw/zinc/31/19/35/209311935.db2.gz WGQRYKHUTHFUIV-CRAIPNDOSA-N 2 2 313.445 3.320 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000134121599 299316841 /nfs/dbraw/zinc/31/68/41/299316841.db2.gz YPWADZTZVIKSCK-QFBILLFUSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422970244 296026566 /nfs/dbraw/zinc/02/65/66/296026566.db2.gz WAMPUSSOAOIGFP-XWIAVFTESA-N 2 2 314.404 3.197 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435449194 238308489 /nfs/dbraw/zinc/30/84/89/238308489.db2.gz OXQGPBHGZPIIBP-MRXNPFEDSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435449194 238308494 /nfs/dbraw/zinc/30/84/94/238308494.db2.gz OXQGPBHGZPIIBP-MRXNPFEDSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccn1 ZINC000436050475 238388895 /nfs/dbraw/zinc/38/88/95/238388895.db2.gz IQGKAFCLTYEELZ-HUUCEWRRSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccn1 ZINC000436050475 238388900 /nfs/dbraw/zinc/38/89/00/238388900.db2.gz IQGKAFCLTYEELZ-HUUCEWRRSA-N 2 2 316.474 3.019 20 0 DGADLP C[C@](O)(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000189839687 432095282 /nfs/dbraw/zinc/09/52/82/432095282.db2.gz KCJIFMDSBHRXIO-FQEVSTJZSA-N 2 2 321.424 3.260 20 0 DGADLP O[C@@H](C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889770 209299247 /nfs/dbraw/zinc/29/92/47/209299247.db2.gz DOJUHHHDYBFILB-ROUUACIJSA-N 2 2 317.408 3.000 20 0 DGADLP O[C@@H](C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889770 209299250 /nfs/dbraw/zinc/29/92/50/209299250.db2.gz DOJUHHHDYBFILB-ROUUACIJSA-N 2 2 317.408 3.000 20 0 DGADLP O[C@H](C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889768 209298917 /nfs/dbraw/zinc/29/89/17/209298917.db2.gz DOJUHHHDYBFILB-QZTJIDSGSA-N 2 2 317.408 3.000 20 0 DGADLP O[C@H](C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889768 209298919 /nfs/dbraw/zinc/29/89/19/209298919.db2.gz DOJUHHHDYBFILB-QZTJIDSGSA-N 2 2 317.408 3.000 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CC2([NH+](C)C)CCC2)cc1F ZINC000438336583 238749439 /nfs/dbraw/zinc/74/94/39/238749439.db2.gz LQOFBWPWUGDXSR-CQSZACIVSA-N 2 2 308.441 3.087 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193932008 201148178 /nfs/dbraw/zinc/14/81/78/201148178.db2.gz AWSXZDVUMCLTJH-XLIONFOSSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193932008 201148181 /nfs/dbraw/zinc/14/81/81/201148181.db2.gz AWSXZDVUMCLTJH-XLIONFOSSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193932008 201148185 /nfs/dbraw/zinc/14/81/85/201148185.db2.gz AWSXZDVUMCLTJH-XLIONFOSSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193932008 201148188 /nfs/dbraw/zinc/14/81/88/201148188.db2.gz AWSXZDVUMCLTJH-XLIONFOSSA-N 2 2 324.472 3.469 20 0 DGADLP COC[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978941 201156056 /nfs/dbraw/zinc/15/60/56/201156056.db2.gz BGCAPIPDAKTLEO-GVDBMIGSSA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978941 201156059 /nfs/dbraw/zinc/15/60/59/201156059.db2.gz BGCAPIPDAKTLEO-GVDBMIGSSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000281500531 216345065 /nfs/dbraw/zinc/34/50/65/216345065.db2.gz XZYZHCNPFZANFL-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000281500531 216345067 /nfs/dbraw/zinc/34/50/67/216345067.db2.gz XZYZHCNPFZANFL-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000180698501 432097712 /nfs/dbraw/zinc/09/77/12/432097712.db2.gz RWLLCGMTNLWUCU-IMBTUZDBSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000180698501 432097717 /nfs/dbraw/zinc/09/77/17/432097717.db2.gz RWLLCGMTNLWUCU-IMBTUZDBSA-N 2 2 301.478 3.460 20 0 DGADLP COCCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000442626184 239102829 /nfs/dbraw/zinc/10/28/29/239102829.db2.gz HOGZDPVAAOPTOM-KRWDZBQOSA-N 2 2 305.397 3.170 20 0 DGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000443009164 239163766 /nfs/dbraw/zinc/16/37/66/239163766.db2.gz JDMYAPYWKJEMHE-CQSZACIVSA-N 2 2 309.335 3.315 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443987799 239246778 /nfs/dbraw/zinc/24/67/78/239246778.db2.gz KKBGRNGZIWXONL-ZJUUUORDSA-N 2 2 307.385 3.124 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](Nc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444079463 239255350 /nfs/dbraw/zinc/25/53/50/239255350.db2.gz QFMGULGPJBRKST-QGZVFWFLSA-N 2 2 318.424 3.128 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](Nc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444079463 239255355 /nfs/dbraw/zinc/25/53/55/239255355.db2.gz QFMGULGPJBRKST-QGZVFWFLSA-N 2 2 318.424 3.128 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3ccccc3n2C)C1 ZINC000246170253 432102664 /nfs/dbraw/zinc/10/26/64/432102664.db2.gz VHFVYLFXPHSVQF-HZPDHXFCSA-N 2 2 314.477 3.344 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3ccccc3n2C)C1 ZINC000246170253 432102671 /nfs/dbraw/zinc/10/26/71/432102671.db2.gz VHFVYLFXPHSVQF-HZPDHXFCSA-N 2 2 314.477 3.344 20 0 DGADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000449103702 240018019 /nfs/dbraw/zinc/01/80/19/240018019.db2.gz RSGLNDBUPYSHOS-HNNXBMFYSA-N 2 2 309.413 3.471 20 0 DGADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000449103704 240018476 /nfs/dbraw/zinc/01/84/76/240018476.db2.gz RSGLNDBUPYSHOS-OAHLLOKOSA-N 2 2 309.413 3.471 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449107186 240020144 /nfs/dbraw/zinc/02/01/44/240020144.db2.gz LLTBDJCGXGNFEP-OAHLLOKOSA-N 2 2 317.502 3.358 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000449109911 240020989 /nfs/dbraw/zinc/02/09/89/240020989.db2.gz ZMFRASLMNCJLIP-QGZVFWFLSA-N 3 2 318.509 3.008 20 0 DGADLP COCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC000449153598 240040101 /nfs/dbraw/zinc/04/01/01/240040101.db2.gz KHWZHXVJSMKNDT-LJQANCHMSA-N 2 2 324.468 3.472 20 0 DGADLP COCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC000449153598 240040108 /nfs/dbraw/zinc/04/01/08/240040108.db2.gz KHWZHXVJSMKNDT-LJQANCHMSA-N 2 2 324.468 3.472 20 0 DGADLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1F ZINC000449086045 240010230 /nfs/dbraw/zinc/01/02/30/240010230.db2.gz BKKRDAMABCPWIH-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccncc2F)CC1 ZINC000449091395 240012243 /nfs/dbraw/zinc/01/22/43/240012243.db2.gz QHUYYSUTUJSJPR-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccnn1C1CCCC1)CCC2 ZINC000449172274 240051625 /nfs/dbraw/zinc/05/16/25/240051625.db2.gz VOBSVCCZUPNTDM-HNNXBMFYSA-N 2 2 313.449 3.170 20 0 DGADLP Cn1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449206247 240068264 /nfs/dbraw/zinc/06/82/64/240068264.db2.gz MYLMMXXAZVHOQJ-UHFFFAOYSA-N 2 2 306.498 3.189 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1F ZINC000449232957 240082213 /nfs/dbraw/zinc/08/22/13/240082213.db2.gz WQGHYGNMACUXOD-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1F ZINC000449232957 240082215 /nfs/dbraw/zinc/08/22/15/240082215.db2.gz WQGHYGNMACUXOD-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc2ccccc21 ZINC000449258905 240096985 /nfs/dbraw/zinc/09/69/85/240096985.db2.gz OWNBOZSEVRJAIJ-MRXNPFEDSA-N 2 2 307.397 3.150 20 0 DGADLP CC[N@H+](CCO)CC[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449253773 240092079 /nfs/dbraw/zinc/09/20/79/240092079.db2.gz ZYOIRPAOLZRDHS-SFHVURJKSA-N 2 2 322.880 3.180 20 0 DGADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449253773 240092081 /nfs/dbraw/zinc/09/20/81/240092081.db2.gz ZYOIRPAOLZRDHS-SFHVURJKSA-N 2 2 322.880 3.180 20 0 DGADLP CC[C@H](COCC(F)(F)F)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449380204 240166161 /nfs/dbraw/zinc/16/61/61/240166161.db2.gz MDISPEQASPYMOE-GFCCVEGCSA-N 2 2 315.339 3.090 20 0 DGADLP Cc1ccc(CCC[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c[nH+]1 ZINC000449408828 240182022 /nfs/dbraw/zinc/18/20/22/240182022.db2.gz LMCGXKIEAVTDTQ-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP Cc1ccc(CCC[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c[nH+]1 ZINC000449408828 240182025 /nfs/dbraw/zinc/18/20/25/240182025.db2.gz LMCGXKIEAVTDTQ-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP CO[C@@](C)(C[NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccccc1 ZINC000449485323 240238214 /nfs/dbraw/zinc/23/82/14/240238214.db2.gz PVFDKGLBNWPDCD-IBGZPJMESA-N 2 2 309.413 3.294 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)n2c1 ZINC000449515493 240262513 /nfs/dbraw/zinc/26/25/13/240262513.db2.gz ZRAQFOLCSNEEDX-FUHWJXTLSA-N 2 2 303.450 3.021 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@@H+]1C1CC1 ZINC000449621538 240323708 /nfs/dbraw/zinc/32/37/08/240323708.db2.gz HTFSOKHTOGCQCZ-HGTKMLMNSA-N 2 2 306.475 3.183 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@H+]1C1CC1 ZINC000449621538 240323714 /nfs/dbraw/zinc/32/37/14/240323714.db2.gz HTFSOKHTOGCQCZ-HGTKMLMNSA-N 2 2 306.475 3.183 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000449708740 240377044 /nfs/dbraw/zinc/37/70/44/240377044.db2.gz WHSPFXIPXKNWIT-UHFFFAOYSA-N 2 2 317.355 3.058 20 0 DGADLP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449710767 240377270 /nfs/dbraw/zinc/37/72/70/240377270.db2.gz NFXBJZJTGNYXPX-YJBOKZPZSA-N 2 2 322.880 3.055 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C(C)C)cc1 ZINC000091339297 193043421 /nfs/dbraw/zinc/04/34/21/193043421.db2.gz FVJVLKWOOFLVKU-GOSISDBHSA-N 2 2 320.477 3.093 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043136 193145188 /nfs/dbraw/zinc/14/51/88/193145188.db2.gz ZCECIVRBKGFDSU-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043136 193145189 /nfs/dbraw/zinc/14/51/89/193145189.db2.gz ZCECIVRBKGFDSU-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043136 193145190 /nfs/dbraw/zinc/14/51/90/193145190.db2.gz ZCECIVRBKGFDSU-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043136 193145191 /nfs/dbraw/zinc/14/51/91/193145191.db2.gz ZCECIVRBKGFDSU-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043335 193145461 /nfs/dbraw/zinc/14/54/61/193145461.db2.gz VTENVOIZIJGESL-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043335 193145463 /nfs/dbraw/zinc/14/54/63/193145463.db2.gz VTENVOIZIJGESL-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043335 193145465 /nfs/dbraw/zinc/14/54/65/193145465.db2.gz VTENVOIZIJGESL-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043335 193145466 /nfs/dbraw/zinc/14/54/66/193145466.db2.gz VTENVOIZIJGESL-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP CCC1([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCCC1 ZINC000451273361 241066068 /nfs/dbraw/zinc/06/60/68/241066068.db2.gz HTNWZIFUBMJEDU-INIZCTEOSA-N 2 2 315.461 3.326 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452111637 241320735 /nfs/dbraw/zinc/32/07/35/241320735.db2.gz CVXVTQWIBLWICN-IBGZPJMESA-N 2 2 312.461 3.095 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452111637 241320739 /nfs/dbraw/zinc/32/07/39/241320739.db2.gz CVXVTQWIBLWICN-IBGZPJMESA-N 2 2 312.461 3.095 20 0 DGADLP C[N@H+](CC1CC(F)(F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114018 241321047 /nfs/dbraw/zinc/32/10/47/241321047.db2.gz IWOOQNDTEYIPGV-UHFFFAOYSA-N 2 2 314.342 3.380 20 0 DGADLP C[N@@H+](CC1CC(F)(F)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114018 241321050 /nfs/dbraw/zinc/32/10/50/241321050.db2.gz IWOOQNDTEYIPGV-UHFFFAOYSA-N 2 2 314.342 3.380 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CCO1 ZINC000246229919 432110997 /nfs/dbraw/zinc/11/09/97/432110997.db2.gz GNMAJPFITFBCDQ-JXFKEZNVSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CCO1 ZINC000246229919 432111001 /nfs/dbraw/zinc/11/10/01/432111001.db2.gz GNMAJPFITFBCDQ-JXFKEZNVSA-N 2 2 314.473 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC(C)C)c(C)[nH+]1 ZINC000455479372 242211780 /nfs/dbraw/zinc/21/17/80/242211780.db2.gz GNZLOCFEGXKOPB-UHFFFAOYSA-N 2 2 306.454 3.058 20 0 DGADLP Cc1cc(C)c(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)[nH+]1 ZINC000455491611 242217191 /nfs/dbraw/zinc/21/71/91/242217191.db2.gz YRNQPQHGMMRACG-UHFFFAOYSA-N 2 2 318.465 3.438 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000455498129 242218399 /nfs/dbraw/zinc/21/83/99/242218399.db2.gz RAZQAJFJJRIWIZ-OAHLLOKOSA-N 2 2 318.465 3.201 20 0 DGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455518609 242224727 /nfs/dbraw/zinc/22/47/27/242224727.db2.gz LNLKLHHPABWANG-UHFFFAOYSA-N 2 2 306.454 3.202 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(C)[nH+]1 ZINC000455526800 242225469 /nfs/dbraw/zinc/22/54/69/242225469.db2.gz QCAKWZLLFGWHNK-HNNXBMFYSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c(C)[nH+]1 ZINC000455526800 242225473 /nfs/dbraw/zinc/22/54/73/242225473.db2.gz QCAKWZLLFGWHNK-HNNXBMFYSA-N 2 2 318.465 3.249 20 0 DGADLP C[N@@H+](Cc1c(F)cccc1N1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000092253933 193181599 /nfs/dbraw/zinc/18/15/99/193181599.db2.gz RGBIKQCYHPZDBA-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP C[N@H+](Cc1c(F)cccc1N1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000092253933 193181601 /nfs/dbraw/zinc/18/16/01/193181601.db2.gz RGBIKQCYHPZDBA-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP C[NH+](Cc1c(F)cccc1N1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253933 193181602 /nfs/dbraw/zinc/18/16/02/193181602.db2.gz RGBIKQCYHPZDBA-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP C[NH+](Cc1c(F)cccc1N1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253933 193181604 /nfs/dbraw/zinc/18/16/04/193181604.db2.gz RGBIKQCYHPZDBA-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000177359228 296119168 /nfs/dbraw/zinc/11/91/68/296119168.db2.gz NZAPVKWRUMXQKZ-CVEARBPZSA-N 2 2 302.462 3.275 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1N(C)C ZINC000268792327 299387605 /nfs/dbraw/zinc/38/76/05/299387605.db2.gz VJFJFQNWFJPBSJ-IAOVAPTHSA-N 2 2 305.441 3.169 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1N(C)C ZINC000268792327 299387608 /nfs/dbraw/zinc/38/76/08/299387608.db2.gz VJFJFQNWFJPBSJ-IAOVAPTHSA-N 2 2 305.441 3.169 20 0 DGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000459334802 243340661 /nfs/dbraw/zinc/34/06/61/243340661.db2.gz FBIWRKBAGXAAPS-ZWKOTPCHSA-N 2 2 319.493 3.412 20 0 DGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000459334802 243340665 /nfs/dbraw/zinc/34/06/65/243340665.db2.gz FBIWRKBAGXAAPS-ZWKOTPCHSA-N 2 2 319.493 3.412 20 0 DGADLP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459422345 243364453 /nfs/dbraw/zinc/36/44/53/243364453.db2.gz XUXRBXUZIQRIML-INIZCTEOSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753758 296128493 /nfs/dbraw/zinc/12/84/93/296128493.db2.gz GJJHRGPCPOIECN-COXVUDFISA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H](NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753758 296128492 /nfs/dbraw/zinc/12/84/92/296128492.db2.gz GJJHRGPCPOIECN-COXVUDFISA-N 2 2 309.885 3.063 20 0 DGADLP Oc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016778 193195128 /nfs/dbraw/zinc/19/51/28/193195128.db2.gz UFQRGHMMYNAHCK-SFHVURJKSA-N 2 2 302.462 3.480 20 0 DGADLP Oc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016778 193195130 /nfs/dbraw/zinc/19/51/30/193195130.db2.gz UFQRGHMMYNAHCK-SFHVURJKSA-N 2 2 302.462 3.480 20 0 DGADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000261690925 203094737 /nfs/dbraw/zinc/09/47/37/203094737.db2.gz HOZYJBDFQZAVGN-CXAGYDPISA-N 2 2 311.385 3.187 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085932 244083404 /nfs/dbraw/zinc/08/34/04/244083404.db2.gz QIYBYOMRKQXWDN-RLLQIKCJSA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085932 244083408 /nfs/dbraw/zinc/08/34/08/244083408.db2.gz QIYBYOMRKQXWDN-RLLQIKCJSA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085932 244083411 /nfs/dbraw/zinc/08/34/11/244083411.db2.gz QIYBYOMRKQXWDN-RLLQIKCJSA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085932 244083412 /nfs/dbraw/zinc/08/34/12/244083412.db2.gz QIYBYOMRKQXWDN-RLLQIKCJSA-N 3 2 321.553 3.351 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000473992827 244359722 /nfs/dbraw/zinc/35/97/22/244359722.db2.gz FSBBLFFRGKCUBQ-WBVHZDCISA-N 2 2 302.462 3.499 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000473992827 244359725 /nfs/dbraw/zinc/35/97/25/244359725.db2.gz FSBBLFFRGKCUBQ-WBVHZDCISA-N 2 2 302.462 3.499 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000474091380 244369307 /nfs/dbraw/zinc/36/93/07/244369307.db2.gz WTHRPMBTYPSAIZ-BEFAXECRSA-N 2 2 302.462 3.356 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000474091380 244369311 /nfs/dbraw/zinc/36/93/11/244369311.db2.gz WTHRPMBTYPSAIZ-BEFAXECRSA-N 2 2 302.462 3.356 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1nccs1 ZINC000093372786 193240350 /nfs/dbraw/zinc/24/03/50/193240350.db2.gz RNWBPVCIHAQKBS-AWEZNQCLSA-N 2 2 312.442 3.281 20 0 DGADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000262662617 203370562 /nfs/dbraw/zinc/37/05/62/203370562.db2.gz ZJOLRXIYAMOLOQ-CQSZACIVSA-N 2 2 300.406 3.142 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)n1-c1ccccc1 ZINC000093506227 193262363 /nfs/dbraw/zinc/26/23/63/193262363.db2.gz VOTQRNMCYJWTKS-APWZRJJASA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)n1-c1ccccc1 ZINC000093506227 193262364 /nfs/dbraw/zinc/26/23/64/193262364.db2.gz VOTQRNMCYJWTKS-APWZRJJASA-N 2 2 311.429 3.182 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1OC ZINC000093770485 193303561 /nfs/dbraw/zinc/30/35/61/193303561.db2.gz IVZXFQJBOCQCTM-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1OC ZINC000093770485 193303563 /nfs/dbraw/zinc/30/35/63/193303563.db2.gz IVZXFQJBOCQCTM-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1OC ZINC000093770485 193303565 /nfs/dbraw/zinc/30/35/65/193303565.db2.gz IVZXFQJBOCQCTM-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1OC ZINC000093770485 193303566 /nfs/dbraw/zinc/30/35/66/193303566.db2.gz IVZXFQJBOCQCTM-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000121298759 284193798 /nfs/dbraw/zinc/19/37/98/284193798.db2.gz ZRYGWGSUCLEIJC-IFXJQAMLSA-N 2 2 302.462 3.089 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000121298759 284193803 /nfs/dbraw/zinc/19/38/03/284193803.db2.gz ZRYGWGSUCLEIJC-IFXJQAMLSA-N 2 2 302.462 3.089 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000486201626 244959931 /nfs/dbraw/zinc/95/99/31/244959931.db2.gz VXXNVJFRRDBZPR-SFTDATJTSA-N 2 2 324.468 3.131 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000486980361 245006868 /nfs/dbraw/zinc/00/68/68/245006868.db2.gz MRILHHYLUNULDV-DJWKRKHSSA-N 2 2 304.397 3.129 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246357498 432123651 /nfs/dbraw/zinc/12/36/51/432123651.db2.gz KNEQWARSTZZKLW-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246357498 432123654 /nfs/dbraw/zinc/12/36/54/432123654.db2.gz KNEQWARSTZZKLW-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246357498 432123657 /nfs/dbraw/zinc/12/36/57/432123657.db2.gz KNEQWARSTZZKLW-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246357498 432123659 /nfs/dbraw/zinc/12/36/59/432123659.db2.gz KNEQWARSTZZKLW-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000268705062 432124006 /nfs/dbraw/zinc/12/40/06/432124006.db2.gz BMJJTEXHYVBEDC-CQSZACIVSA-N 2 2 302.418 3.194 20 0 DGADLP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000295359267 299424480 /nfs/dbraw/zinc/42/44/80/299424480.db2.gz JAPOLFSOHIGYFK-SZMVWBNQSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000271734189 209167980 /nfs/dbraw/zinc/16/79/80/209167980.db2.gz UTJFZFYJJFAKPY-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000271734189 209167984 /nfs/dbraw/zinc/16/79/84/209167984.db2.gz UTJFZFYJJFAKPY-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Brc1sccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000282491710 217036325 /nfs/dbraw/zinc/03/63/25/217036325.db2.gz RCHANHDXNZZWHE-NEPJUHHUSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1sccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282491710 217036328 /nfs/dbraw/zinc/03/63/28/217036328.db2.gz RCHANHDXNZZWHE-NEPJUHHUSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1sccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000282491713 217036703 /nfs/dbraw/zinc/03/67/03/217036703.db2.gz RCHANHDXNZZWHE-NWDGAFQWSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1sccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282491713 217036706 /nfs/dbraw/zinc/03/67/06/217036706.db2.gz RCHANHDXNZZWHE-NWDGAFQWSA-N 2 2 315.280 3.227 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000282613642 217125960 /nfs/dbraw/zinc/12/59/60/217125960.db2.gz LCDMOCDSIKRKNW-ABAIWWIYSA-N 2 2 320.234 3.311 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000282659004 217158064 /nfs/dbraw/zinc/15/80/64/217158064.db2.gz IJUDAZKRBNVIGC-INIZCTEOSA-N 2 2 313.445 3.341 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266006004 205021090 /nfs/dbraw/zinc/02/10/90/205021090.db2.gz KVCZNJXVCHJWFT-LSDHHAIUSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266006004 205021097 /nfs/dbraw/zinc/02/10/97/205021097.db2.gz KVCZNJXVCHJWFT-LSDHHAIUSA-N 2 2 308.853 3.055 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCCOC)c1cccc(OC)c1 ZINC000268734534 432129188 /nfs/dbraw/zinc/12/91/88/432129188.db2.gz CXHOQHYFWPXPIY-QFBILLFUSA-N 2 2 322.493 3.483 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000288533687 220209284 /nfs/dbraw/zinc/20/92/84/220209284.db2.gz VYYGFZZJVVYMNJ-QFBILLFUSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000288533687 220209288 /nfs/dbraw/zinc/20/92/88/220209288.db2.gz VYYGFZZJVVYMNJ-QFBILLFUSA-N 2 2 320.440 3.087 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000268782934 432132090 /nfs/dbraw/zinc/13/20/90/432132090.db2.gz AADRYUFEXHYQTJ-VXGBXAGGSA-N 2 2 323.824 3.293 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000020189020 182195443 /nfs/dbraw/zinc/19/54/43/182195443.db2.gz NIZKVDYPJJPGRI-UHFFFAOYSA-N 2 2 301.228 3.005 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Br ZINC000020506271 182225572 /nfs/dbraw/zinc/22/55/72/182225572.db2.gz HHGCXZDMVNJKKB-LBPRGKRZSA-N 2 2 308.223 3.387 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000020506305 182225968 /nfs/dbraw/zinc/22/59/68/182225968.db2.gz CEZCOXGBLHMDQV-LBPRGKRZSA-N 2 2 308.223 3.387 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781988 432133170 /nfs/dbraw/zinc/13/31/70/432133170.db2.gz PZPDGBSZDZFEHO-BHYGNILZSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781988 432133173 /nfs/dbraw/zinc/13/31/73/432133173.db2.gz PZPDGBSZDZFEHO-BHYGNILZSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H](C)[NH3+] ZINC000493769399 246062732 /nfs/dbraw/zinc/06/27/32/246062732.db2.gz RKWNEFHIUXGKHV-MNOVXSKESA-N 2 2 319.792 3.449 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)CC2 ZINC000494438775 246148756 /nfs/dbraw/zinc/14/87/56/246148756.db2.gz XZRDULRCQUTUKI-MRXNPFEDSA-N 2 2 311.429 3.309 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000494322613 246134448 /nfs/dbraw/zinc/13/44/48/246134448.db2.gz KLRZUIRWXOFECV-IBGZPJMESA-N 2 2 318.505 3.332 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000494322613 246134450 /nfs/dbraw/zinc/13/44/50/246134450.db2.gz KLRZUIRWXOFECV-IBGZPJMESA-N 2 2 318.505 3.332 20 0 DGADLP Cc1ccc([C@H](C[NH2+]Cc2cncc(F)c2)[NH+]2CCCC2)cc1 ZINC000494572665 246165631 /nfs/dbraw/zinc/16/56/31/246165631.db2.gz BOQDKMNGOWGXKD-IBGZPJMESA-N 2 2 313.420 3.456 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)cs1 ZINC000494939697 246214084 /nfs/dbraw/zinc/21/40/84/246214084.db2.gz REKJOGIQPUACHK-SNPRPXQTSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)cs1 ZINC000494939697 246214089 /nfs/dbraw/zinc/21/40/89/246214089.db2.gz REKJOGIQPUACHK-SNPRPXQTSA-N 2 2 314.882 3.085 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495125729 246238011 /nfs/dbraw/zinc/23/80/11/246238011.db2.gz CBSGFXVZPLPIJX-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495125729 246238014 /nfs/dbraw/zinc/23/80/14/246238014.db2.gz CBSGFXVZPLPIJX-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495125729 246238018 /nfs/dbraw/zinc/23/80/18/246238018.db2.gz CBSGFXVZPLPIJX-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495125729 246238021 /nfs/dbraw/zinc/23/80/21/246238021.db2.gz CBSGFXVZPLPIJX-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495222533 246248639 /nfs/dbraw/zinc/24/86/39/246248639.db2.gz XCDAPTPQHYDCDY-IEBWSBKVSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495222533 246248642 /nfs/dbraw/zinc/24/86/42/246248642.db2.gz XCDAPTPQHYDCDY-IEBWSBKVSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495222533 246248645 /nfs/dbraw/zinc/24/86/45/246248645.db2.gz XCDAPTPQHYDCDY-IEBWSBKVSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495222533 246248648 /nfs/dbraw/zinc/24/86/48/246248648.db2.gz XCDAPTPQHYDCDY-IEBWSBKVSA-N 2 2 302.462 3.392 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Br ZINC000042419249 183268156 /nfs/dbraw/zinc/26/81/56/183268156.db2.gz YSDQVJZGGWYQPL-LALPHHSUSA-N 2 2 311.267 3.267 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Br ZINC000042419249 183268157 /nfs/dbraw/zinc/26/81/57/183268157.db2.gz YSDQVJZGGWYQPL-LALPHHSUSA-N 2 2 311.267 3.267 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000273878870 211136590 /nfs/dbraw/zinc/13/65/90/211136590.db2.gz QMIZTYRTJRXMOS-UHFFFAOYSA-N 2 2 312.379 3.160 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000273853621 211113735 /nfs/dbraw/zinc/11/37/35/211113735.db2.gz SSGQELODMXPKKU-DGZYCVBISA-N 2 2 314.473 3.032 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000273853621 211113741 /nfs/dbraw/zinc/11/37/41/211113741.db2.gz SSGQELODMXPKKU-DGZYCVBISA-N 2 2 314.473 3.032 20 0 DGADLP CC(C)c1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc[nH+]1 ZINC000106462407 194218085 /nfs/dbraw/zinc/21/80/85/194218085.db2.gz LOSVGCFFEATBGC-AWEZNQCLSA-N 2 2 300.406 3.442 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285239723 218346692 /nfs/dbraw/zinc/34/66/92/218346692.db2.gz PNWBIPGUSGGNOF-YJBOKZPZSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285239723 218346694 /nfs/dbraw/zinc/34/66/94/218346694.db2.gz PNWBIPGUSGGNOF-YJBOKZPZSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)o1 ZINC000268826622 206991665 /nfs/dbraw/zinc/99/16/65/206991665.db2.gz JCVBSBRMVVAMPU-WBVHZDCISA-N 2 2 314.429 3.054 20 0 DGADLP CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268859751 207026544 /nfs/dbraw/zinc/02/65/44/207026544.db2.gz FTFQRNQEQMINEK-KRWDZBQOSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422880788 296314405 /nfs/dbraw/zinc/31/44/05/296314405.db2.gz MURKIPRRVAWYRN-AYOQOUSVSA-N 3 2 301.478 3.030 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422880788 296314406 /nfs/dbraw/zinc/31/44/06/296314406.db2.gz MURKIPRRVAWYRN-AYOQOUSVSA-N 3 2 301.478 3.030 20 0 DGADLP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268863700 207033541 /nfs/dbraw/zinc/03/35/41/207033541.db2.gz GUOBLQSAJDFOAH-GOSISDBHSA-N 2 2 324.896 3.445 20 0 DGADLP CC(C)(CCO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268909777 207077842 /nfs/dbraw/zinc/07/78/42/207077842.db2.gz HKWHXCSLFLVXBF-UHFFFAOYSA-N 2 2 324.896 3.303 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC000269048781 207198407 /nfs/dbraw/zinc/19/84/07/207198407.db2.gz VNQUEBLVQOHXGQ-NEPJUHHUSA-N 2 2 314.857 3.348 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014406 184201046 /nfs/dbraw/zinc/20/10/46/184201046.db2.gz ZRWLULACASIVQK-SNVBAGLBSA-N 2 2 308.813 3.110 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014406 184201048 /nfs/dbraw/zinc/20/10/48/184201048.db2.gz ZRWLULACASIVQK-SNVBAGLBSA-N 2 2 308.813 3.110 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000269132958 207264392 /nfs/dbraw/zinc/26/43/92/207264392.db2.gz NHWXFNSMAJDCEF-UHFFFAOYSA-N 2 2 304.463 3.049 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000269132958 207264397 /nfs/dbraw/zinc/26/43/97/207264397.db2.gz NHWXFNSMAJDCEF-UHFFFAOYSA-N 2 2 304.463 3.049 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000248737686 285021662 /nfs/dbraw/zinc/02/16/62/285021662.db2.gz XRKHKLSWXRZGLS-IPYPFGDCSA-N 2 2 304.482 3.222 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000248737686 285021669 /nfs/dbraw/zinc/02/16/69/285021669.db2.gz XRKHKLSWXRZGLS-IPYPFGDCSA-N 2 2 304.482 3.222 20 0 DGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430575142 533026880 /nfs/dbraw/zinc/02/68/80/533026880.db2.gz KCPVERGDPWHMDO-BBRMVZONSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430575142 533026884 /nfs/dbraw/zinc/02/68/84/533026884.db2.gz KCPVERGDPWHMDO-BBRMVZONSA-N 2 2 323.506 3.041 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000336855009 253008976 /nfs/dbraw/zinc/00/89/76/253008976.db2.gz TZFCVGSYTCLYDD-ZIAGYGMSSA-N 2 2 324.852 3.074 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000336855009 253008977 /nfs/dbraw/zinc/00/89/77/253008977.db2.gz TZFCVGSYTCLYDD-ZIAGYGMSSA-N 2 2 324.852 3.074 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000336855008 253009006 /nfs/dbraw/zinc/00/90/06/253009006.db2.gz TZFCVGSYTCLYDD-UONOGXRCSA-N 2 2 324.852 3.074 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000336855008 253009007 /nfs/dbraw/zinc/00/90/07/253009007.db2.gz TZFCVGSYTCLYDD-UONOGXRCSA-N 2 2 324.852 3.074 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000270117874 208176428 /nfs/dbraw/zinc/17/64/28/208176428.db2.gz FDXIYAUVYDOAPB-OAHLLOKOSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000270117874 208176430 /nfs/dbraw/zinc/17/64/30/208176430.db2.gz FDXIYAUVYDOAPB-OAHLLOKOSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000270117870 208177291 /nfs/dbraw/zinc/17/72/91/208177291.db2.gz FDXIYAUVYDOAPB-HNNXBMFYSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000270117870 208177296 /nfs/dbraw/zinc/17/72/96/208177296.db2.gz FDXIYAUVYDOAPB-HNNXBMFYSA-N 2 2 310.401 3.306 20 0 DGADLP CCc1nnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000273143890 210521744 /nfs/dbraw/zinc/52/17/44/210521744.db2.gz KRPPNWWLCGUSDJ-GFCCVEGCSA-N 2 2 313.430 3.137 20 0 DGADLP CCCC[N@H+](Cc1noc(C[NH3+])n1)[C@H](CC)c1ccccc1 ZINC000337078675 253044167 /nfs/dbraw/zinc/04/41/67/253044167.db2.gz SWBBNFLCNVPSEN-OAHLLOKOSA-N 2 2 302.422 3.282 20 0 DGADLP CCCC[N@@H+](Cc1noc(C[NH3+])n1)[C@H](CC)c1ccccc1 ZINC000337078675 253044170 /nfs/dbraw/zinc/04/41/70/253044170.db2.gz SWBBNFLCNVPSEN-OAHLLOKOSA-N 2 2 302.422 3.282 20 0 DGADLP FC(F)O[C@H]1CCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000337311889 253083912 /nfs/dbraw/zinc/08/39/12/253083912.db2.gz VLJHCTBJFJWILD-OLZOCXBDSA-N 2 2 313.373 3.184 20 0 DGADLP FC(F)O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337322786 253086856 /nfs/dbraw/zinc/08/68/56/253086856.db2.gz ZZNWRRGMKSSEST-LSDHHAIUSA-N 2 2 307.344 3.122 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120160775 195108894 /nfs/dbraw/zinc/10/88/94/195108894.db2.gz LJWWQQYLDLDMDC-INIZCTEOSA-N 3 2 300.450 3.255 20 0 DGADLP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000337385430 253102748 /nfs/dbraw/zinc/10/27/48/253102748.db2.gz KVXMHDBZPUEEQO-HNNXBMFYSA-N 2 2 323.431 3.461 20 0 DGADLP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000337409566 253110507 /nfs/dbraw/zinc/11/05/07/253110507.db2.gz WFKZDMMPARJPGQ-INIZCTEOSA-N 2 2 323.431 3.461 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000337503182 253128862 /nfs/dbraw/zinc/12/88/62/253128862.db2.gz CLIYLRUWRIJVGP-GJZGRUSLSA-N 2 2 301.434 3.290 20 0 DGADLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000338030156 253213254 /nfs/dbraw/zinc/21/32/54/253213254.db2.gz RKNHIWNQJQTIAG-GOSISDBHSA-N 2 2 319.493 3.087 20 0 DGADLP C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338003746 253208101 /nfs/dbraw/zinc/20/81/01/253208101.db2.gz NNBPBECIWPORDY-RBSFLKMASA-N 2 2 312.417 3.072 20 0 DGADLP Cc1cc(N2CC[NH+](CC3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000338585291 253316294 /nfs/dbraw/zinc/31/62/94/253316294.db2.gz PQAJNVCGKGJKHB-UHFFFAOYSA-N 2 2 302.466 3.221 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](CC)COC)ccc2n1C1CC1 ZINC000338784420 253351742 /nfs/dbraw/zinc/35/17/42/253351742.db2.gz YUKSLHNPUBUCHV-CQSZACIVSA-N 2 2 301.434 3.448 20 0 DGADLP Clc1cc2c(c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c1)OCC2 ZINC000272949938 210335981 /nfs/dbraw/zinc/33/59/81/210335981.db2.gz KGMRSRKUWGWSMG-CYBMUJFWSA-N 2 2 317.820 3.378 20 0 DGADLP Clc1cc2c(c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c1)OCC2 ZINC000272949938 210335982 /nfs/dbraw/zinc/33/59/82/210335982.db2.gz KGMRSRKUWGWSMG-CYBMUJFWSA-N 2 2 317.820 3.378 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158719043 197296498 /nfs/dbraw/zinc/29/64/98/197296498.db2.gz LYXZAXWHVDQXFH-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158719043 197296500 /nfs/dbraw/zinc/29/65/00/197296500.db2.gz LYXZAXWHVDQXFH-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158719043 197296502 /nfs/dbraw/zinc/29/65/02/197296502.db2.gz LYXZAXWHVDQXFH-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158719043 197296503 /nfs/dbraw/zinc/29/65/03/197296503.db2.gz LYXZAXWHVDQXFH-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP CCc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000272914389 210301149 /nfs/dbraw/zinc/30/11/49/210301149.db2.gz JVSUFTUTVDYTNT-CQSZACIVSA-N 2 2 323.444 3.163 20 0 DGADLP CCc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000272914389 210301151 /nfs/dbraw/zinc/30/11/51/210301151.db2.gz JVSUFTUTVDYTNT-CQSZACIVSA-N 2 2 323.444 3.163 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337375367 285150671 /nfs/dbraw/zinc/15/06/71/285150671.db2.gz AWYZMTCVHHIJNA-RBUKOAKNSA-N 2 2 313.445 3.226 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)[nH]1 ZINC000271216052 208731727 /nfs/dbraw/zinc/73/17/27/208731727.db2.gz XNWOHFDYPBWZAU-CQSZACIVSA-N 2 2 318.446 3.097 20 0 DGADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342595714 254016166 /nfs/dbraw/zinc/01/61/66/254016166.db2.gz MSAAWPKNSYQCAW-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342595714 254016167 /nfs/dbraw/zinc/01/61/67/254016167.db2.gz MSAAWPKNSYQCAW-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000342672877 254029598 /nfs/dbraw/zinc/02/95/98/254029598.db2.gz FMECNAKQHBFMBO-JZXOWHBKSA-N 2 2 312.461 3.172 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000342672877 254029601 /nfs/dbraw/zinc/02/96/01/254029601.db2.gz FMECNAKQHBFMBO-JZXOWHBKSA-N 2 2 312.461 3.172 20 0 DGADLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc(C)n1 ZINC000342814290 254057040 /nfs/dbraw/zinc/05/70/40/254057040.db2.gz MFWSSTOVAJWHIA-CQSZACIVSA-N 2 2 307.401 3.130 20 0 DGADLP CCc1nc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000342825884 254059841 /nfs/dbraw/zinc/05/98/41/254059841.db2.gz RBPGAEYNXIWTSZ-QGZVFWFLSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000342825884 254059844 /nfs/dbraw/zinc/05/98/44/254059844.db2.gz RBPGAEYNXIWTSZ-QGZVFWFLSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000343105396 254099880 /nfs/dbraw/zinc/09/98/80/254099880.db2.gz YIHAEJKNACYDFF-PXNSSMCTSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000343105396 254099881 /nfs/dbraw/zinc/09/98/81/254099881.db2.gz YIHAEJKNACYDFF-PXNSSMCTSA-N 2 2 316.489 3.086 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000343460232 254147115 /nfs/dbraw/zinc/14/71/15/254147115.db2.gz SPLUQIHXCUKVDJ-IKGGRYGDSA-N 2 2 310.445 3.217 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000343532068 254156971 /nfs/dbraw/zinc/15/69/71/254156971.db2.gz FJXQUMMYWCYASK-CQSZACIVSA-N 2 2 302.447 3.190 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000343532068 254156973 /nfs/dbraw/zinc/15/69/73/254156973.db2.gz FJXQUMMYWCYASK-CQSZACIVSA-N 2 2 302.447 3.190 20 0 DGADLP CC[N@@H+]1CCO[C@@H](CNc2cc(C)cc[nH+]2)[C@H]1c1ccccc1 ZINC000343320040 254126775 /nfs/dbraw/zinc/12/67/75/254126775.db2.gz OJVFQDYYWXZIBC-PKOBYXMFSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@@H](CNc2cc(C)cc[nH+]2)[C@H]1c1ccccc1 ZINC000343320040 254126776 /nfs/dbraw/zinc/12/67/76/254126776.db2.gz OJVFQDYYWXZIBC-PKOBYXMFSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@@H+]1CCO[C@H](CNc2cc(C)cc[nH+]2)[C@H]1c1ccccc1 ZINC000343320038 254127008 /nfs/dbraw/zinc/12/70/08/254127008.db2.gz OJVFQDYYWXZIBC-IEBWSBKVSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@H](CNc2cc(C)cc[nH+]2)[C@H]1c1ccccc1 ZINC000343320038 254127009 /nfs/dbraw/zinc/12/70/09/254127009.db2.gz OJVFQDYYWXZIBC-IEBWSBKVSA-N 2 2 311.429 3.264 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000343326355 254127571 /nfs/dbraw/zinc/12/75/71/254127571.db2.gz PZETZRVQVOEONU-GOSISDBHSA-N 2 2 310.376 3.187 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000343441072 254143459 /nfs/dbraw/zinc/14/34/59/254143459.db2.gz IPFXYTGVBQZBCN-ZJPYXAASSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000343441072 254143460 /nfs/dbraw/zinc/14/34/60/254143460.db2.gz IPFXYTGVBQZBCN-ZJPYXAASSA-N 2 2 301.478 3.489 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000343456782 254146311 /nfs/dbraw/zinc/14/63/11/254146311.db2.gz OGCWGJRRBHSKPG-DOMZBBRYSA-N 2 2 323.362 3.438 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000343462007 254147045 /nfs/dbraw/zinc/14/70/45/254147045.db2.gz JYPAGFSJGSMKPO-DOMZBBRYSA-N 2 2 315.442 3.033 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343602405 254166998 /nfs/dbraw/zinc/16/69/98/254166998.db2.gz LBEQHTKJJOFNTR-UHFFFAOYSA-N 2 2 306.498 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343602405 254166999 /nfs/dbraw/zinc/16/69/99/254166999.db2.gz LBEQHTKJJOFNTR-UHFFFAOYSA-N 2 2 306.498 3.173 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343608760 254167595 /nfs/dbraw/zinc/16/75/95/254167595.db2.gz VFDUVPIVGFPWOP-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343608760 254167596 /nfs/dbraw/zinc/16/75/96/254167596.db2.gz VFDUVPIVGFPWOP-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(-c2ccncc2)c1)Cn1cc[nH+]c1 ZINC000343794722 254189789 /nfs/dbraw/zinc/18/97/89/254189789.db2.gz PMRYQJKLGDOUGF-INIZCTEOSA-N 2 2 306.413 3.371 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846549 254195451 /nfs/dbraw/zinc/19/54/51/254195451.db2.gz ZOZVDZOQFGCGKX-NXEZZACHSA-N 2 2 307.385 3.154 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846549 254195452 /nfs/dbraw/zinc/19/54/52/254195452.db2.gz ZOZVDZOQFGCGKX-NXEZZACHSA-N 2 2 307.385 3.154 20 0 DGADLP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000157340950 197181284 /nfs/dbraw/zinc/18/12/84/197181284.db2.gz BYLQEIUJMFUWIJ-CABCVRRESA-N 2 2 320.433 3.078 20 0 DGADLP COC(=O)c1ccc([C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000157340950 197181285 /nfs/dbraw/zinc/18/12/85/197181285.db2.gz BYLQEIUJMFUWIJ-CABCVRRESA-N 2 2 320.433 3.078 20 0 DGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000343928898 254203712 /nfs/dbraw/zinc/20/37/12/254203712.db2.gz KSNSNRCUKMFRDG-ZLPCBKJTSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000343928898 254203713 /nfs/dbraw/zinc/20/37/13/254203713.db2.gz KSNSNRCUKMFRDG-ZLPCBKJTSA-N 2 2 304.478 3.443 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000343951008 254205149 /nfs/dbraw/zinc/20/51/49/254205149.db2.gz ZNRBWLKMTACBEC-KRWDZBQOSA-N 2 2 310.869 3.490 20 0 DGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000344023578 254214452 /nfs/dbraw/zinc/21/44/52/254214452.db2.gz OOCVLIYZNNHEGV-GJZGRUSLSA-N 2 2 316.445 3.103 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC000344099443 254225543 /nfs/dbraw/zinc/22/55/43/254225543.db2.gz KQWDXNJKGCMKFG-ROUUACIJSA-N 2 2 311.429 3.310 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC000344099442 254225661 /nfs/dbraw/zinc/22/56/61/254225661.db2.gz KQWDXNJKGCMKFG-QZTJIDSGSA-N 2 2 311.429 3.310 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@@H+]1C ZINC000344615360 254288847 /nfs/dbraw/zinc/28/88/47/254288847.db2.gz FYMCQPLYJXSPJP-ZWNOBZJWSA-N 2 2 304.331 3.417 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@H+]1C ZINC000344615360 254288849 /nfs/dbraw/zinc/28/88/49/254288849.db2.gz FYMCQPLYJXSPJP-ZWNOBZJWSA-N 2 2 304.331 3.417 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@@H+]1C ZINC000344615357 254289173 /nfs/dbraw/zinc/28/91/73/254289173.db2.gz FYMCQPLYJXSPJP-GXFFZTMASA-N 2 2 304.331 3.417 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@H+]1C ZINC000344615357 254289174 /nfs/dbraw/zinc/28/91/74/254289174.db2.gz FYMCQPLYJXSPJP-GXFFZTMASA-N 2 2 304.331 3.417 20 0 DGADLP COC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccc(F)cc1 ZINC000344592625 254286166 /nfs/dbraw/zinc/28/61/66/254286166.db2.gz AQVVXPFMYBQWKX-QGZVFWFLSA-N 2 2 313.376 3.259 20 0 DGADLP COc1cccc2c(N[C@@H]3CCn4cc[nH+]c4C3)c(C)c[nH+]c12 ZINC000344987978 254321506 /nfs/dbraw/zinc/32/15/06/254321506.db2.gz VAOWHVUSGVXBKS-CYBMUJFWSA-N 2 2 308.385 3.175 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000286282138 285236574 /nfs/dbraw/zinc/23/65/74/285236574.db2.gz WBKRBHXEWHOHKH-CTWPCTMYSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000286282138 285236576 /nfs/dbraw/zinc/23/65/76/285236576.db2.gz WBKRBHXEWHOHKH-CTWPCTMYSA-N 2 2 304.478 3.036 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400706 285268651 /nfs/dbraw/zinc/26/86/51/285268651.db2.gz QWSKFDGCEHKSRZ-WBVHZDCISA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400706 285268653 /nfs/dbraw/zinc/26/86/53/285268653.db2.gz QWSKFDGCEHKSRZ-WBVHZDCISA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc2[nH+]c(C)nc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC000301940726 285275323 /nfs/dbraw/zinc/27/53/23/285275323.db2.gz VZPABBMFJMLZJR-KGLIPLIRSA-N 2 2 314.433 3.232 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC000120740244 195228248 /nfs/dbraw/zinc/22/82/48/195228248.db2.gz CDYAODQGDTZBKK-DOTOQJQBSA-N 2 2 322.493 3.201 20 0 DGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000289791522 221227679 /nfs/dbraw/zinc/22/76/79/221227679.db2.gz LXYPETQFPKOZRS-BBRMVZONSA-N 2 2 318.852 3.046 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1 ZINC000294897239 224293997 /nfs/dbraw/zinc/29/39/97/224293997.db2.gz WZNQUTBFLRTDRS-ZDUSSCGKSA-N 2 2 324.432 3.273 20 0 DGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1[C@H]1CCCO1 ZINC000289989076 221362959 /nfs/dbraw/zinc/36/29/59/221362959.db2.gz YIASLRUESREGCN-MSOLQXFVSA-N 2 2 311.429 3.262 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1[C@H]1CCCO1 ZINC000289989076 221362960 /nfs/dbraw/zinc/36/29/60/221362960.db2.gz YIASLRUESREGCN-MSOLQXFVSA-N 2 2 311.429 3.262 20 0 DGADLP c1cc(C[NH+]2CCC(Nc3cc(C4CC4)cc[nH+]3)CC2)ccn1 ZINC000353536320 285360885 /nfs/dbraw/zinc/36/08/85/285360885.db2.gz ACSZTQGVCACCQH-UHFFFAOYSA-N 2 2 308.429 3.431 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121722774 195335023 /nfs/dbraw/zinc/33/50/23/195335023.db2.gz HDVUBMGZTARDFK-DOTOQJQBSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121722774 195335025 /nfs/dbraw/zinc/33/50/25/195335025.db2.gz HDVUBMGZTARDFK-DOTOQJQBSA-N 2 2 324.428 3.175 20 0 DGADLP c1c[nH+]c([C@H](NC2CC[NH+](C3CCCC3)CC2)c2ccccc2)[nH]1 ZINC000127519677 195884432 /nfs/dbraw/zinc/88/44/32/195884432.db2.gz JALDALSXQITBKZ-LJQANCHMSA-N 2 2 324.472 3.496 20 0 DGADLP Oc1cccc2c1CCC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534970 285394515 /nfs/dbraw/zinc/39/45/15/285394515.db2.gz WWGZBCGMULMVCS-IPMKNSEASA-N 2 2 308.425 3.115 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422801041 533456932 /nfs/dbraw/zinc/45/69/32/533456932.db2.gz DLHAKDFWUYRBGU-KDOFPFPSSA-N 2 2 315.461 3.045 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138549 533626799 /nfs/dbraw/zinc/62/67/99/533626799.db2.gz IFCPMAKVHLOLNN-GOSISDBHSA-N 2 2 324.415 3.432 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138549 533626810 /nfs/dbraw/zinc/62/68/10/533626810.db2.gz IFCPMAKVHLOLNN-GOSISDBHSA-N 2 2 324.415 3.432 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138549 533626822 /nfs/dbraw/zinc/62/68/22/533626822.db2.gz IFCPMAKVHLOLNN-GOSISDBHSA-N 2 2 324.415 3.432 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138549 533626832 /nfs/dbraw/zinc/62/68/32/533626832.db2.gz IFCPMAKVHLOLNN-GOSISDBHSA-N 2 2 324.415 3.432 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000163831131 132124927 /nfs/dbraw/zinc/12/49/27/132124927.db2.gz TZGYUIVSLKXQDF-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000163831131 132124928 /nfs/dbraw/zinc/12/49/28/132124928.db2.gz TZGYUIVSLKXQDF-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000422749895 296576850 /nfs/dbraw/zinc/57/68/50/296576850.db2.gz BKBLJMRFTXAHHW-QZTJIDSGSA-N 3 2 307.526 3.153 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000584760114 400099069 /nfs/dbraw/zinc/09/90/69/400099069.db2.gz DYPKDWRCVFRMRO-INIZCTEOSA-N 2 2 304.478 3.269 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](CNc1[nH+]ccc3cc(F)ccc31)CCC2 ZINC000584777258 400102172 /nfs/dbraw/zinc/10/21/72/400102172.db2.gz MLIJTMRXOWHWRJ-AWEZNQCLSA-N 2 2 310.376 3.290 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000584782557 400103277 /nfs/dbraw/zinc/10/32/77/400103277.db2.gz QDTLNVDVDRDKSQ-IRXDYDNUSA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000584782557 400103284 /nfs/dbraw/zinc/10/32/84/400103284.db2.gz QDTLNVDVDRDKSQ-IRXDYDNUSA-N 2 2 324.415 3.437 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091265317 400109220 /nfs/dbraw/zinc/10/92/20/400109220.db2.gz JGNQDTGXNSTPIX-LBPRGKRZSA-N 2 2 320.868 3.362 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000304290242 400122065 /nfs/dbraw/zinc/12/20/65/400122065.db2.gz MGJUUWQPWAQNHS-IBGZPJMESA-N 2 2 321.424 3.043 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000304290242 400122069 /nfs/dbraw/zinc/12/20/69/400122069.db2.gz MGJUUWQPWAQNHS-IBGZPJMESA-N 2 2 321.424 3.043 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072999 400153765 /nfs/dbraw/zinc/15/37/65/400153765.db2.gz KLXDWFWCXBKOEZ-CQSZACIVSA-N 2 2 315.417 3.115 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072999 400153768 /nfs/dbraw/zinc/15/37/68/400153768.db2.gz KLXDWFWCXBKOEZ-CQSZACIVSA-N 2 2 315.417 3.115 20 0 DGADLP CCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687492 400224103 /nfs/dbraw/zinc/22/41/03/400224103.db2.gz FTBKRNBOCKPGEB-QGZVFWFLSA-N 2 2 323.440 3.092 20 0 DGADLP CCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687492 400224105 /nfs/dbraw/zinc/22/41/05/400224105.db2.gz FTBKRNBOCKPGEB-QGZVFWFLSA-N 2 2 323.440 3.092 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(C)[nH+]c(C)n2)cc1F ZINC000067904925 400215451 /nfs/dbraw/zinc/21/54/51/400215451.db2.gz JPKPSCBOQNQBIR-UHFFFAOYSA-N 2 2 311.364 3.339 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390550810 400272081 /nfs/dbraw/zinc/27/20/81/400272081.db2.gz CBJQANDUZSAQAK-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390550810 400272087 /nfs/dbraw/zinc/27/20/87/400272087.db2.gz CBJQANDUZSAQAK-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390550811 400272430 /nfs/dbraw/zinc/27/24/30/400272430.db2.gz CBJQANDUZSAQAK-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390550811 400272435 /nfs/dbraw/zinc/27/24/35/400272435.db2.gz CBJQANDUZSAQAK-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404454908 400295135 /nfs/dbraw/zinc/29/51/35/400295135.db2.gz IUNPVLGKOFJNGB-RHSMWYFYSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404454908 400295139 /nfs/dbraw/zinc/29/51/39/400295139.db2.gz IUNPVLGKOFJNGB-RHSMWYFYSA-N 2 2 301.459 3.143 20 0 DGADLP COc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c(F)c1 ZINC000404609404 400296448 /nfs/dbraw/zinc/29/64/48/400296448.db2.gz DXABSBSUSULXMU-UHFFFAOYSA-N 2 2 313.376 3.282 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCCCC1 ZINC000589731108 400324167 /nfs/dbraw/zinc/32/41/67/400324167.db2.gz QYBHGOZGOSDVMW-SFHVURJKSA-N 2 2 324.509 3.353 20 0 DGADLP c1ccc([C@H](C[NH2+]Cc2[nH]nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000589634215 400311169 /nfs/dbraw/zinc/31/11/69/400311169.db2.gz RRVNLHVFIWGTKT-FQEVSTJZSA-N 2 2 320.440 3.490 20 0 DGADLP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866018 400258812 /nfs/dbraw/zinc/25/88/12/400258812.db2.gz SQSONDHBLAWHEX-JXTAAOLFSA-N 2 2 310.397 3.257 20 0 DGADLP COc1ccccc1/C=C/C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866018 400258819 /nfs/dbraw/zinc/25/88/19/400258819.db2.gz SQSONDHBLAWHEX-JXTAAOLFSA-N 2 2 310.397 3.257 20 0 DGADLP Clc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000069747639 400341921 /nfs/dbraw/zinc/34/19/21/400341921.db2.gz FNAFXXUTGHEMPT-UHFFFAOYSA-N 2 2 320.820 3.055 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOC[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000072895130 400413026 /nfs/dbraw/zinc/41/30/26/400413026.db2.gz MEKJEUWIQKCBIN-FQEVSTJZSA-N 2 2 319.408 3.446 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOC[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000072895130 400413030 /nfs/dbraw/zinc/41/30/30/400413030.db2.gz MEKJEUWIQKCBIN-FQEVSTJZSA-N 2 2 319.408 3.446 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CCO)c1ccccc1 ZINC000072772535 400402853 /nfs/dbraw/zinc/40/28/53/400402853.db2.gz ILANJKFCWJFCIH-FQEVSTJZSA-N 2 2 321.424 3.428 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CCO)c1ccccc1 ZINC000072772535 400402860 /nfs/dbraw/zinc/40/28/60/400402860.db2.gz ILANJKFCWJFCIH-FQEVSTJZSA-N 2 2 321.424 3.428 20 0 DGADLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)no1 ZINC000073500736 400453878 /nfs/dbraw/zinc/45/38/78/400453878.db2.gz VUADGVNOKHDHLQ-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000596644635 400469807 /nfs/dbraw/zinc/46/98/07/400469807.db2.gz JETXHLNYSDJQQH-NSHDSACASA-N 2 2 304.768 3.125 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000596644635 400469812 /nfs/dbraw/zinc/46/98/12/400469812.db2.gz JETXHLNYSDJQQH-NSHDSACASA-N 2 2 304.768 3.125 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612070194 400485975 /nfs/dbraw/zinc/48/59/75/400485975.db2.gz MXBMQCOPRLGRJQ-HNNXBMFYSA-N 2 2 307.438 3.032 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612070194 400485979 /nfs/dbraw/zinc/48/59/79/400485979.db2.gz MXBMQCOPRLGRJQ-HNNXBMFYSA-N 2 2 307.438 3.032 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129017817 400520529 /nfs/dbraw/zinc/52/05/29/400520529.db2.gz AARMQDCQEZKXSL-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129017817 400520532 /nfs/dbraw/zinc/52/05/32/400520532.db2.gz AARMQDCQEZKXSL-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915372 400578502 /nfs/dbraw/zinc/57/85/02/400578502.db2.gz FGWBXQWKBRDVQW-GOEBONIOSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915372 400578505 /nfs/dbraw/zinc/57/85/05/400578505.db2.gz FGWBXQWKBRDVQW-GOEBONIOSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708507 400551103 /nfs/dbraw/zinc/55/11/03/400551103.db2.gz BLFPNWOAIBDWBB-RDJZCZTQSA-N 2 2 320.440 3.488 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708507 400551106 /nfs/dbraw/zinc/55/11/06/400551106.db2.gz BLFPNWOAIBDWBB-RDJZCZTQSA-N 2 2 320.440 3.488 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000076003577 400626956 /nfs/dbraw/zinc/62/69/56/400626956.db2.gz MPTFZNHQOWYNMI-ZDUSSCGKSA-N 2 2 324.852 3.232 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000076003577 400626961 /nfs/dbraw/zinc/62/69/61/400626961.db2.gz MPTFZNHQOWYNMI-ZDUSSCGKSA-N 2 2 324.852 3.232 20 0 DGADLP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358085113 285966487 /nfs/dbraw/zinc/96/64/87/285966487.db2.gz STARGCFBWGYITQ-HNNXBMFYSA-N 2 2 315.486 3.328 20 0 DGADLP Fc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000076871253 400677881 /nfs/dbraw/zinc/67/78/81/400677881.db2.gz OWIJYWZEGUTOLQ-UHFFFAOYSA-N 2 2 303.356 3.436 20 0 DGADLP c1ccc2c(c1)C[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000165191884 400752791 /nfs/dbraw/zinc/75/27/91/400752791.db2.gz WOZQIZZJUIYTFU-UHFFFAOYSA-N 2 2 308.425 3.035 20 0 DGADLP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157262738 400716045 /nfs/dbraw/zinc/71/60/45/400716045.db2.gz GYIUCVHITBRMHY-HNNXBMFYSA-N 2 2 303.450 3.004 20 0 DGADLP C(c1noc2c1CCCC2)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157262738 400716053 /nfs/dbraw/zinc/71/60/53/400716053.db2.gz GYIUCVHITBRMHY-HNNXBMFYSA-N 2 2 303.450 3.004 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@](C)(CO)C3CCCCC3)c[nH+]c12 ZINC000174420461 400856293 /nfs/dbraw/zinc/85/62/93/400856293.db2.gz LMAJYQZPJHZTKE-SFHVURJKSA-N 2 2 301.434 3.064 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000237437707 400989572 /nfs/dbraw/zinc/98/95/72/400989572.db2.gz RGCRAMQZWBELHG-UKRRQHHQSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000237437707 400989579 /nfs/dbraw/zinc/98/95/79/400989579.db2.gz RGCRAMQZWBELHG-UKRRQHHQSA-N 2 2 323.868 3.049 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317626 401019495 /nfs/dbraw/zinc/01/94/95/401019495.db2.gz TWKWFRSQMZOBPQ-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317626 401019508 /nfs/dbraw/zinc/01/95/08/401019508.db2.gz TWKWFRSQMZOBPQ-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317626 401019520 /nfs/dbraw/zinc/01/95/20/401019520.db2.gz TWKWFRSQMZOBPQ-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317626 401019528 /nfs/dbraw/zinc/01/95/28/401019528.db2.gz TWKWFRSQMZOBPQ-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960305 401008513 /nfs/dbraw/zinc/00/85/13/401008513.db2.gz SEGNIXIYOWYUMM-STQMWFEESA-N 2 2 303.410 3.076 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960305 401008517 /nfs/dbraw/zinc/00/85/17/401008517.db2.gz SEGNIXIYOWYUMM-STQMWFEESA-N 2 2 303.410 3.076 20 0 DGADLP Cc1cccc(N2CCC(Nc3[nH+]c(C)nc4[nH]ccc43)CC2)[nH+]1 ZINC000081000544 401015147 /nfs/dbraw/zinc/01/51/47/401015147.db2.gz KHOGTUVZUVGUPR-UHFFFAOYSA-N 2 2 322.416 3.051 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)CCC2 ZINC000629556560 400973968 /nfs/dbraw/zinc/97/39/68/400973968.db2.gz SHBUBFDQCIFDHW-SQNIBIBYSA-N 2 2 320.864 3.074 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629560789 400974666 /nfs/dbraw/zinc/97/46/66/400974666.db2.gz PEFATIQXCXVNJW-CHWSQXEVSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629560789 400974672 /nfs/dbraw/zinc/97/46/72/400974672.db2.gz PEFATIQXCXVNJW-CHWSQXEVSA-N 2 2 304.331 3.093 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559802 400975118 /nfs/dbraw/zinc/97/51/18/400975118.db2.gz CMZYWYOSWAIANS-JLLWLGSASA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559802 400975125 /nfs/dbraw/zinc/97/51/25/400975125.db2.gz CMZYWYOSWAIANS-JLLWLGSASA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566455 400979389 /nfs/dbraw/zinc/97/93/89/400979389.db2.gz ZJCLQLIUNRPOOP-JQWIXIFHSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566455 400979392 /nfs/dbraw/zinc/97/93/92/400979392.db2.gz ZJCLQLIUNRPOOP-JQWIXIFHSA-N 2 2 324.749 3.438 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564844 400979446 /nfs/dbraw/zinc/97/94/46/400979446.db2.gz UYMDBKACKBOQIK-GMTAPVOTSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564844 400979448 /nfs/dbraw/zinc/97/94/48/400979448.db2.gz UYMDBKACKBOQIK-GMTAPVOTSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566453 400979572 /nfs/dbraw/zinc/97/95/72/400979572.db2.gz ZJCLQLIUNRPOOP-CMPLNLGQSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566453 400979576 /nfs/dbraw/zinc/97/95/76/400979576.db2.gz ZJCLQLIUNRPOOP-CMPLNLGQSA-N 2 2 324.749 3.438 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599329362 401022818 /nfs/dbraw/zinc/02/28/18/401022818.db2.gz HMSVVZGOVGEINS-GJZGRUSLSA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599329362 401022828 /nfs/dbraw/zinc/02/28/28/401022828.db2.gz HMSVVZGOVGEINS-GJZGRUSLSA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599329364 401023250 /nfs/dbraw/zinc/02/32/50/401023250.db2.gz HMSVVZGOVGEINS-LSDHHAIUSA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599329364 401023254 /nfs/dbraw/zinc/02/32/54/401023254.db2.gz HMSVVZGOVGEINS-LSDHHAIUSA-N 2 2 321.465 3.346 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000599659747 401106077 /nfs/dbraw/zinc/10/60/77/401106077.db2.gz IESYYEVGZSTDNG-HNNXBMFYSA-N 2 2 320.477 3.300 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000599659747 401106083 /nfs/dbraw/zinc/10/60/83/401106083.db2.gz IESYYEVGZSTDNG-HNNXBMFYSA-N 2 2 320.477 3.300 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000620439862 401094788 /nfs/dbraw/zinc/09/47/88/401094788.db2.gz LHWKGKGOFRHDCV-LJQANCHMSA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000620439862 401094790 /nfs/dbraw/zinc/09/47/90/401094790.db2.gz LHWKGKGOFRHDCV-LJQANCHMSA-N 2 2 304.478 3.256 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@@H](C)C1 ZINC000358267021 286016077 /nfs/dbraw/zinc/01/60/77/286016077.db2.gz OGMZKIOHTOUKMR-HOCLYGCPSA-N 2 2 305.466 3.079 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@@H](C)C1 ZINC000358267021 286016079 /nfs/dbraw/zinc/01/60/79/286016079.db2.gz OGMZKIOHTOUKMR-HOCLYGCPSA-N 2 2 305.466 3.079 20 0 DGADLP C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000630060562 401173856 /nfs/dbraw/zinc/17/38/56/401173856.db2.gz MIDPNYUEVAIQMX-ICSRJNTNSA-N 3 2 313.489 3.038 20 0 DGADLP C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000630060562 401173861 /nfs/dbraw/zinc/17/38/61/401173861.db2.gz MIDPNYUEVAIQMX-ICSRJNTNSA-N 3 2 313.489 3.038 20 0 DGADLP C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000630060561 401173988 /nfs/dbraw/zinc/17/39/88/401173988.db2.gz MIDPNYUEVAIQMX-AZUAARDMSA-N 3 2 313.489 3.038 20 0 DGADLP C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000630060561 401173991 /nfs/dbraw/zinc/17/39/91/401173991.db2.gz MIDPNYUEVAIQMX-AZUAARDMSA-N 3 2 313.489 3.038 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000358341944 286036815 /nfs/dbraw/zinc/03/68/15/286036815.db2.gz DQBUFYLOFOMBBJ-VQIMIIECSA-N 2 2 319.493 3.258 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@H](C)C1 ZINC000090177298 401262057 /nfs/dbraw/zinc/26/20/57/401262057.db2.gz OGZQCXFBVBLNEC-BXUZGUMPSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@H](C)C1 ZINC000090177298 401262062 /nfs/dbraw/zinc/26/20/62/401262062.db2.gz OGZQCXFBVBLNEC-BXUZGUMPSA-N 2 2 316.367 3.247 20 0 DGADLP CC(C)CC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000090234389 401264180 /nfs/dbraw/zinc/26/41/80/401264180.db2.gz CAIQRLGQHUSLTA-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)CC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000621659151 401271389 /nfs/dbraw/zinc/27/13/89/401271389.db2.gz ARYKGXJPTOUUSQ-CQSZACIVSA-N 2 2 312.417 3.103 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621661964 401272533 /nfs/dbraw/zinc/27/25/33/401272533.db2.gz GPZBGNVECQPSGU-CQSZACIVSA-N 2 2 312.417 3.103 20 0 DGADLP [NH3+]C[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000630525071 401282768 /nfs/dbraw/zinc/28/27/68/401282768.db2.gz AODHLRSHXKDFOR-OCCSQVGLSA-N 2 2 309.335 3.198 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000089736033 401237181 /nfs/dbraw/zinc/23/71/81/401237181.db2.gz UEKWSTKUZGGNCO-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000090048154 401250537 /nfs/dbraw/zinc/25/05/37/401250537.db2.gz CZLUFLXGMADJOJ-CJNGLKHVSA-N 2 2 324.465 3.063 20 0 DGADLP CCC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000090047500 401251389 /nfs/dbraw/zinc/25/13/89/401251389.db2.gz BMGHHJDQGSILFV-APWZRJJASA-N 2 2 320.477 3.237 20 0 DGADLP COCCN(C)c1ccc(CNc2[nH+]cccc2C(C)C)c[nH+]1 ZINC000358380676 286046153 /nfs/dbraw/zinc/04/61/53/286046153.db2.gz IETWDEMZIKHZLN-UHFFFAOYSA-N 2 2 314.433 3.295 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000634732490 401340792 /nfs/dbraw/zinc/34/07/92/401340792.db2.gz HPYXGLWEVLBPQV-LJQANCHMSA-N 3 2 315.505 3.019 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1noc(C)n1 ZINC000626062930 401292301 /nfs/dbraw/zinc/29/23/01/401292301.db2.gz LTJPRDGNKSYDEI-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1noc(C)n1 ZINC000626062930 401292304 /nfs/dbraw/zinc/29/23/04/401292304.db2.gz LTJPRDGNKSYDEI-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000631044040 401377111 /nfs/dbraw/zinc/37/71/11/401377111.db2.gz CUCSCBSGHGSIGS-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[NH+]2CCCC2)cc1 ZINC000631057539 401380235 /nfs/dbraw/zinc/38/02/35/401380235.db2.gz XXUXMIGRENTGKG-GOSISDBHSA-N 2 2 311.429 3.022 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195064 401422722 /nfs/dbraw/zinc/42/27/22/401422722.db2.gz AZOGGQIXQYVQAI-WBVHZDCISA-N 2 2 313.445 3.095 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195064 401422726 /nfs/dbraw/zinc/42/27/26/401422726.db2.gz AZOGGQIXQYVQAI-WBVHZDCISA-N 2 2 313.445 3.095 20 0 DGADLP Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000631258936 401439910 /nfs/dbraw/zinc/43/99/10/401439910.db2.gz FUBWZCTWRGUPHW-SFHVURJKSA-N 2 2 320.440 3.007 20 0 DGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000631620532 401515981 /nfs/dbraw/zinc/51/59/81/401515981.db2.gz GGRPBTWMEHSLIE-HOCLYGCPSA-N 2 2 308.429 3.290 20 0 DGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000631642660 401521872 /nfs/dbraw/zinc/52/18/72/401521872.db2.gz QFPYRHQBCVZOLT-IBGZPJMESA-N 2 2 321.424 3.471 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000623283996 401486598 /nfs/dbraw/zinc/48/65/98/401486598.db2.gz UNRVNSBGIVVAHJ-QGZVFWFLSA-N 2 2 312.461 3.347 20 0 DGADLP CN(C)c1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc(F)c1F ZINC000628157686 401537710 /nfs/dbraw/zinc/53/77/10/401537710.db2.gz QVJGWRWBIRJRJX-UHFFFAOYSA-N 2 2 320.387 3.134 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000623657019 401562934 /nfs/dbraw/zinc/56/29/34/401562934.db2.gz HZQOVYZRQSWAQE-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000623657019 401562935 /nfs/dbraw/zinc/56/29/35/401562935.db2.gz HZQOVYZRQSWAQE-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP Cc1ncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000628273151 401565207 /nfs/dbraw/zinc/56/52/07/401565207.db2.gz KHEWTHZMXHYDOZ-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000628273151 401565209 /nfs/dbraw/zinc/56/52/09/401565209.db2.gz KHEWTHZMXHYDOZ-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000628273151 401565210 /nfs/dbraw/zinc/56/52/10/401565210.db2.gz KHEWTHZMXHYDOZ-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000628273151 401565212 /nfs/dbraw/zinc/56/52/12/401565212.db2.gz KHEWTHZMXHYDOZ-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP CC[N@H+](Cc1nc(C)c(C)[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000628278625 401565721 /nfs/dbraw/zinc/56/57/21/401565721.db2.gz ZOOLXJONFVJLDO-UHFFFAOYSA-N 2 2 300.450 3.110 20 0 DGADLP CC[N@@H+](Cc1nc(C)c(C)[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000628278625 401565724 /nfs/dbraw/zinc/56/57/24/401565724.db2.gz ZOOLXJONFVJLDO-UHFFFAOYSA-N 2 2 300.450 3.110 20 0 DGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000628278625 401565726 /nfs/dbraw/zinc/56/57/26/401565726.db2.gz ZOOLXJONFVJLDO-UHFFFAOYSA-N 2 2 300.450 3.110 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358469204 286070632 /nfs/dbraw/zinc/07/06/32/286070632.db2.gz OQXJYGQZFPZJCM-MRXNPFEDSA-N 2 2 318.852 3.332 20 0 DGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628239018 401557729 /nfs/dbraw/zinc/55/77/29/401557729.db2.gz ZIWHPRQCOHODMN-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628239018 401557733 /nfs/dbraw/zinc/55/77/33/401557733.db2.gz ZIWHPRQCOHODMN-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624169901 401634348 /nfs/dbraw/zinc/63/43/48/401634348.db2.gz AOEUZTDTWUPIBL-FUHWJXTLSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624227668 401641698 /nfs/dbraw/zinc/64/16/98/401641698.db2.gz XDLKBPQGSZUAHF-RHSMWYFYSA-N 2 2 316.470 3.132 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624227668 401641701 /nfs/dbraw/zinc/64/17/01/401641701.db2.gz XDLKBPQGSZUAHF-RHSMWYFYSA-N 2 2 316.470 3.132 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000624256569 401644257 /nfs/dbraw/zinc/64/42/57/401644257.db2.gz ZQHRZWRQXFENNV-MRXNPFEDSA-N 2 2 322.518 3.256 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccsc2C)CC1 ZINC000628476098 401603762 /nfs/dbraw/zinc/60/37/62/401603762.db2.gz CZLPEKMKNBPDLM-UHFFFAOYSA-N 2 2 308.491 3.133 20 0 DGADLP COCC(C)(C)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000430216495 292198676 /nfs/dbraw/zinc/19/86/76/292198676.db2.gz IRGHSIVMXAUMOY-FUHWJXTLSA-N 2 2 304.478 3.159 20 0 DGADLP COCC(C)(C)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000430216495 292198678 /nfs/dbraw/zinc/19/86/78/292198678.db2.gz IRGHSIVMXAUMOY-FUHWJXTLSA-N 2 2 304.478 3.159 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000359004462 286212334 /nfs/dbraw/zinc/21/23/34/286212334.db2.gz PQKUZSRJSVKKMF-YJLNNSPDSA-N 2 2 312.461 3.079 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H](C)C(F)(F)F)sc2C1 ZINC000359111458 286239803 /nfs/dbraw/zinc/23/98/03/286239803.db2.gz BMHUOBLYXJSMGL-SNVBAGLBSA-N 2 2 321.412 3.198 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H](C)C(F)(F)F)sc2C1 ZINC000359111458 286239805 /nfs/dbraw/zinc/23/98/05/286239805.db2.gz BMHUOBLYXJSMGL-SNVBAGLBSA-N 2 2 321.412 3.198 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccnc1 ZINC000359291875 286276787 /nfs/dbraw/zinc/27/67/87/286276787.db2.gz RIGCPBBYKFSGAW-FQEVSTJZSA-N 2 2 324.472 3.428 20 0 DGADLP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000359332153 286286164 /nfs/dbraw/zinc/28/61/64/286286164.db2.gz NWUGEKUHNQQBSE-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2cc3c(c[nH+]2)CCCC3)s1 ZINC000359470250 286315156 /nfs/dbraw/zinc/31/51/56/286315156.db2.gz VCUCRJGQTBJODS-UHFFFAOYSA-N 2 2 302.447 3.091 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)CCCOC)[N@@H+]1CCc2ccccc2C1 ZINC000359660997 286356002 /nfs/dbraw/zinc/35/60/02/286356002.db2.gz DYDITIHDPBMXQG-APWZRJJASA-N 2 2 304.478 3.228 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)CCCOC)[N@H+]1CCc2ccccc2C1 ZINC000359660997 286356004 /nfs/dbraw/zinc/35/60/04/286356004.db2.gz DYDITIHDPBMXQG-APWZRJJASA-N 2 2 304.478 3.228 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000359679872 286359707 /nfs/dbraw/zinc/35/97/07/286359707.db2.gz PTRSJIPGTRNHOY-MDZRGWNJSA-N 2 2 302.462 3.153 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000474036674 286386349 /nfs/dbraw/zinc/38/63/49/286386349.db2.gz UHWZSDUNPVTXSJ-SFHVURJKSA-N 2 2 302.462 3.493 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3c(O)cccc31)CCC2 ZINC000360984845 286569467 /nfs/dbraw/zinc/56/94/67/286569467.db2.gz FPSYZPKDLSMHOQ-WMLDXEAASA-N 2 2 311.429 3.442 20 0 DGADLP CCc1nnc([C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000361073525 286590835 /nfs/dbraw/zinc/59/08/35/286590835.db2.gz PCIAKGZUOYSXBA-AWEZNQCLSA-N 2 2 317.437 3.082 20 0 DGADLP CC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000361112999 286599315 /nfs/dbraw/zinc/59/93/15/286599315.db2.gz KCTPEXFFCDARKS-IAGOWNOFSA-N 2 2 320.477 3.475 20 0 DGADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCC2 ZINC000361967412 286752054 /nfs/dbraw/zinc/75/20/54/286752054.db2.gz TVZINEDBLFSXNU-KBXCAEBGSA-N 2 2 304.503 3.263 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CCSC1 ZINC000361972755 286753237 /nfs/dbraw/zinc/75/32/37/286753237.db2.gz UCWFBAKXCQJGHJ-HOTGVXAUSA-N 2 2 310.894 3.354 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423064829 286912042 /nfs/dbraw/zinc/91/20/42/286912042.db2.gz SDKVWCMGYOWJKD-KFWWJZLASA-N 2 2 300.368 3.453 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(F)cn2)[nH+]1 ZINC000364278266 287006468 /nfs/dbraw/zinc/00/64/68/287006468.db2.gz CKPCMFXVHRXQBJ-INIZCTEOSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(F)cn2)[nH+]1 ZINC000364278266 287006470 /nfs/dbraw/zinc/00/64/70/287006470.db2.gz CKPCMFXVHRXQBJ-INIZCTEOSA-N 2 2 300.381 3.001 20 0 DGADLP OCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000186529823 165048475 /nfs/dbraw/zinc/04/84/75/165048475.db2.gz TZRHDOZQXDOXPF-KRWDZBQOSA-N 2 2 306.450 3.090 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@@H+]1C1CC1 ZINC000191301265 165242329 /nfs/dbraw/zinc/24/23/29/165242329.db2.gz GQJKCFQQMSKCCT-PBHICJAKSA-N 2 2 300.446 3.190 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@H+]1C1CC1 ZINC000191301265 165242330 /nfs/dbraw/zinc/24/23/30/165242330.db2.gz GQJKCFQQMSKCCT-PBHICJAKSA-N 2 2 300.446 3.190 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191952772 165277495 /nfs/dbraw/zinc/27/74/95/165277495.db2.gz UAOYLAIWWNMQGR-KRWDZBQOSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191952772 165277498 /nfs/dbraw/zinc/27/74/98/165277498.db2.gz UAOYLAIWWNMQGR-KRWDZBQOSA-N 2 2 321.428 3.283 20 0 DGADLP CCC(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000192647718 165299775 /nfs/dbraw/zinc/29/97/75/165299775.db2.gz ALXJPWLBGXYTLM-XVLXNVKGSA-N 3 2 307.526 3.102 20 0 DGADLP CCC(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000192647718 165299778 /nfs/dbraw/zinc/29/97/78/165299778.db2.gz ALXJPWLBGXYTLM-XVLXNVKGSA-N 3 2 307.526 3.102 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344060 165385195 /nfs/dbraw/zinc/38/51/95/165385195.db2.gz GPIOUOXBOFKITB-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344060 165385199 /nfs/dbraw/zinc/38/51/99/165385199.db2.gz GPIOUOXBOFKITB-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344060 165385200 /nfs/dbraw/zinc/38/52/00/165385200.db2.gz GPIOUOXBOFKITB-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344060 165385204 /nfs/dbraw/zinc/38/52/04/165385204.db2.gz GPIOUOXBOFKITB-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343950 165385778 /nfs/dbraw/zinc/38/57/78/165385778.db2.gz HQOYXRGCXXMPSQ-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343950 165385779 /nfs/dbraw/zinc/38/57/79/165385779.db2.gz HQOYXRGCXXMPSQ-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343950 165385780 /nfs/dbraw/zinc/38/57/80/165385780.db2.gz HQOYXRGCXXMPSQ-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343950 165385781 /nfs/dbraw/zinc/38/57/81/165385781.db2.gz HQOYXRGCXXMPSQ-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP Clc1ccc(Br)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228407823 165390067 /nfs/dbraw/zinc/39/00/67/165390067.db2.gz OWQZYRLPADOTFZ-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632320 287156253 /nfs/dbraw/zinc/15/62/53/287156253.db2.gz BRDHMLAWXREIST-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632320 287156256 /nfs/dbraw/zinc/15/62/56/287156256.db2.gz BRDHMLAWXREIST-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000365650837 287158132 /nfs/dbraw/zinc/15/81/32/287158132.db2.gz TXYGXWLQCBETOR-OAHLLOKOSA-N 2 2 315.392 3.012 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000365650836 287158152 /nfs/dbraw/zinc/15/81/52/287158152.db2.gz TXYGXWLQCBETOR-HNNXBMFYSA-N 2 2 315.392 3.012 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000365650407 287158161 /nfs/dbraw/zinc/15/81/61/287158161.db2.gz RKJQMOPNTDSYDA-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000365650407 287158162 /nfs/dbraw/zinc/15/81/62/287158162.db2.gz RKJQMOPNTDSYDA-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000129427420 196047258 /nfs/dbraw/zinc/04/72/58/196047258.db2.gz UIGYIZBJTVVLFC-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672350 432153378 /nfs/dbraw/zinc/15/33/78/432153378.db2.gz UIZYOLMGOWDOFV-PKOBYXMFSA-N 2 2 302.462 3.182 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672350 432153381 /nfs/dbraw/zinc/15/33/81/432153381.db2.gz UIZYOLMGOWDOFV-PKOBYXMFSA-N 2 2 302.462 3.182 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000136382851 432154091 /nfs/dbraw/zinc/15/40/91/432154091.db2.gz SYLYIINPHGSUFT-KRWDZBQOSA-N 2 2 319.836 3.309 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000136382851 432154094 /nfs/dbraw/zinc/15/40/94/432154094.db2.gz SYLYIINPHGSUFT-KRWDZBQOSA-N 2 2 319.836 3.309 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000182090454 432158904 /nfs/dbraw/zinc/15/89/04/432158904.db2.gz PPPIACIOGPDPBQ-INIZCTEOSA-N 2 2 323.440 3.151 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000182090454 432158906 /nfs/dbraw/zinc/15/89/06/432158906.db2.gz PPPIACIOGPDPBQ-INIZCTEOSA-N 2 2 323.440 3.151 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129571944 196058642 /nfs/dbraw/zinc/05/86/42/196058642.db2.gz DEUBEXOTDPSIAF-WFASDCNBSA-N 2 2 314.364 3.247 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129571944 196058643 /nfs/dbraw/zinc/05/86/43/196058643.db2.gz DEUBEXOTDPSIAF-WFASDCNBSA-N 2 2 314.364 3.247 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246896159 432178230 /nfs/dbraw/zinc/17/82/30/432178230.db2.gz BWVVDCHHGHRBBI-LPHOPBHVSA-N 2 2 320.452 3.321 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246896159 432178233 /nfs/dbraw/zinc/17/82/33/432178233.db2.gz BWVVDCHHGHRBBI-LPHOPBHVSA-N 2 2 320.452 3.321 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000246911353 432180467 /nfs/dbraw/zinc/18/04/67/432180467.db2.gz GGXNAFWSOXLMPK-MANSERQUSA-N 3 2 309.542 3.205 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000246911353 432180471 /nfs/dbraw/zinc/18/04/71/432180471.db2.gz GGXNAFWSOXLMPK-MANSERQUSA-N 3 2 309.542 3.205 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246928352 432180978 /nfs/dbraw/zinc/18/09/78/432180978.db2.gz GZYVFWJTQKGGMV-WBVHZDCISA-N 3 2 312.461 3.173 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246928352 432180981 /nfs/dbraw/zinc/18/09/81/432180981.db2.gz GZYVFWJTQKGGMV-WBVHZDCISA-N 3 2 312.461 3.173 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246964375 432185113 /nfs/dbraw/zinc/18/51/13/432185113.db2.gz IAYFBTLYWLOJFL-VKJFTORMSA-N 2 2 300.446 3.424 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246964375 432185115 /nfs/dbraw/zinc/18/51/15/432185115.db2.gz IAYFBTLYWLOJFL-VKJFTORMSA-N 2 2 300.446 3.424 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1sccc1Br ZINC000147960607 432186290 /nfs/dbraw/zinc/18/62/90/432186290.db2.gz UHADLUATXQWSFW-FOGDFJRCSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1sccc1Br ZINC000147960607 432186294 /nfs/dbraw/zinc/18/62/94/432186294.db2.gz UHADLUATXQWSFW-FOGDFJRCSA-N 2 2 317.296 3.329 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000269665203 432195131 /nfs/dbraw/zinc/19/51/31/432195131.db2.gz YPGVVVSRUAAWLZ-UHFFFAOYSA-N 2 2 301.438 3.278 20 0 DGADLP c1c(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)[nH+]c2ccccn12 ZINC000130557239 196090556 /nfs/dbraw/zinc/09/05/56/196090556.db2.gz RLFQAWKOJIYIRT-IBGZPJMESA-N 2 2 305.425 3.488 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000130561389 196091602 /nfs/dbraw/zinc/09/16/02/196091602.db2.gz PQBQTPCZYQZWMH-CQSZACIVSA-N 2 2 322.412 3.186 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271630339 209075612 /nfs/dbraw/zinc/07/56/12/209075612.db2.gz GPRMKLGJXZRQNF-INIZCTEOSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271630339 209075616 /nfs/dbraw/zinc/07/56/16/209075616.db2.gz GPRMKLGJXZRQNF-INIZCTEOSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271630339 209075620 /nfs/dbraw/zinc/07/56/20/209075620.db2.gz GPRMKLGJXZRQNF-INIZCTEOSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271630339 209075623 /nfs/dbraw/zinc/07/56/23/209075623.db2.gz GPRMKLGJXZRQNF-INIZCTEOSA-N 2 2 323.444 3.256 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000182649180 432213362 /nfs/dbraw/zinc/21/33/62/432213362.db2.gz ZZOPDWBZEMUTGW-AEFFLSMTSA-N 2 2 313.445 3.407 20 0 DGADLP COc1ccccc1CCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000182649180 432213366 /nfs/dbraw/zinc/21/33/66/432213366.db2.gz ZZOPDWBZEMUTGW-AEFFLSMTSA-N 2 2 313.445 3.407 20 0 DGADLP Cc1cnn(-c2cc[nH+]cc2NCc2c[nH+]c3c(C)cccn23)c1 ZINC000182670689 432214629 /nfs/dbraw/zinc/21/46/29/432214629.db2.gz UDGLGCRWCLUOHS-UHFFFAOYSA-N 2 2 318.384 3.144 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247282593 432218113 /nfs/dbraw/zinc/21/81/13/432218113.db2.gz YRLZSHWAWOINMU-YOEHRIQHSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247282593 432218115 /nfs/dbraw/zinc/21/81/15/432218115.db2.gz YRLZSHWAWOINMU-YOEHRIQHSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247282593 432218119 /nfs/dbraw/zinc/21/81/19/432218119.db2.gz YRLZSHWAWOINMU-YOEHRIQHSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247282593 432218121 /nfs/dbraw/zinc/21/81/21/432218121.db2.gz YRLZSHWAWOINMU-YOEHRIQHSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[NH+](C)C ZINC000131573328 196180956 /nfs/dbraw/zinc/18/09/56/196180956.db2.gz UFAFLAHHJFABPO-HNNXBMFYSA-N 2 2 320.824 3.050 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191126719 432224212 /nfs/dbraw/zinc/22/42/12/432224212.db2.gz MNMNSWVUPJJJCD-JSGCOSHPSA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191126719 432224215 /nfs/dbraw/zinc/22/42/15/432224215.db2.gz MNMNSWVUPJJJCD-JSGCOSHPSA-N 2 2 316.898 3.409 20 0 DGADLP COc1ccc(OC)c(C[N@H+](CCn2cc[nH+]c2)C(C)(C)C)c1 ZINC000131729037 196194513 /nfs/dbraw/zinc/19/45/13/196194513.db2.gz DPSBQEZKBXCUOB-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP COc1ccc(OC)c(C[N@@H+](CCn2cc[nH+]c2)C(C)(C)C)c1 ZINC000131729037 196194515 /nfs/dbraw/zinc/19/45/15/196194515.db2.gz DPSBQEZKBXCUOB-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000132790986 196284535 /nfs/dbraw/zinc/28/45/35/196284535.db2.gz QVJWLBGVAFGZPC-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000132790986 196284536 /nfs/dbraw/zinc/28/45/36/196284536.db2.gz QVJWLBGVAFGZPC-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000132805224 196284971 /nfs/dbraw/zinc/28/49/71/196284971.db2.gz LNDLUEWZSNHDLF-APWZRJJASA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000132805224 196284973 /nfs/dbraw/zinc/28/49/73/196284973.db2.gz LNDLUEWZSNHDLF-APWZRJJASA-N 2 2 312.461 3.218 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132806891 196286407 /nfs/dbraw/zinc/28/64/07/196286407.db2.gz FIQLMOIVBGQLPZ-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132806891 196286409 /nfs/dbraw/zinc/28/64/09/196286409.db2.gz FIQLMOIVBGQLPZ-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000682567322 549339335 /nfs/dbraw/zinc/33/93/35/549339335.db2.gz WLDAFUTXNKMWSR-UHFFFAOYSA-N 2 2 314.433 3.144 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000291164711 222186637 /nfs/dbraw/zinc/18/66/37/222186637.db2.gz MNKIDZGWWLLDNI-RDTXWAMCSA-N 2 2 322.880 3.462 20 0 DGADLP Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000302177994 230144916 /nfs/dbraw/zinc/14/49/16/230144916.db2.gz PCUJIOXXYKLLLC-FZKQIMNGSA-N 2 2 310.445 3.334 20 0 DGADLP Cc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000302177994 230144918 /nfs/dbraw/zinc/14/49/18/230144918.db2.gz PCUJIOXXYKLLLC-FZKQIMNGSA-N 2 2 310.445 3.334 20 0 DGADLP Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000302177993 230145353 /nfs/dbraw/zinc/14/53/53/230145353.db2.gz PCUJIOXXYKLLLC-ACJLOTCBSA-N 2 2 310.445 3.334 20 0 DGADLP Cc1nc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000302177993 230145357 /nfs/dbraw/zinc/14/53/57/230145357.db2.gz PCUJIOXXYKLLLC-ACJLOTCBSA-N 2 2 310.445 3.334 20 0 DGADLP Cc1ccn2c(CN(CCC[NH3+])c3ccccc3F)c[nH+]c2c1 ZINC000346398087 264025682 /nfs/dbraw/zinc/02/56/82/264025682.db2.gz WMOZMTZIOVNIIU-UHFFFAOYSA-N 2 2 312.392 3.137 20 0 DGADLP Cc1cc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)ccc1F ZINC000346449130 264034093 /nfs/dbraw/zinc/03/40/93/264034093.db2.gz CVPKNBUOPGELGP-SFHVURJKSA-N 2 2 310.376 3.105 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000346797548 264099506 /nfs/dbraw/zinc/09/95/06/264099506.db2.gz OETJNSUSRYSTHU-DOXZYTNZSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000346797548 264099509 /nfs/dbraw/zinc/09/95/09/264099509.db2.gz OETJNSUSRYSTHU-DOXZYTNZSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820268 264103211 /nfs/dbraw/zinc/10/32/11/264103211.db2.gz HGGBDSLQXNRFGU-RDTXWAMCSA-N 2 2 313.445 3.087 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820268 264103212 /nfs/dbraw/zinc/10/32/12/264103212.db2.gz HGGBDSLQXNRFGU-RDTXWAMCSA-N 2 2 313.445 3.087 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OCC ZINC000347032951 264143992 /nfs/dbraw/zinc/14/39/92/264143992.db2.gz AMCGEZCYNFZXCP-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OCC ZINC000347032951 264143995 /nfs/dbraw/zinc/14/39/95/264143995.db2.gz AMCGEZCYNFZXCP-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347036999 264145197 /nfs/dbraw/zinc/14/51/97/264145197.db2.gz FKEPUUGZHZBMIU-NEPJUHHUSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347036999 264145200 /nfs/dbraw/zinc/14/52/00/264145200.db2.gz FKEPUUGZHZBMIU-NEPJUHHUSA-N 2 2 307.488 3.431 20 0 DGADLP CC[N@H+](CCOC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000347049697 264147730 /nfs/dbraw/zinc/14/77/30/264147730.db2.gz IMIVHKAFVKINJT-UHFFFAOYSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+](CCOC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000347049697 264147732 /nfs/dbraw/zinc/14/77/32/264147732.db2.gz IMIVHKAFVKINJT-UHFFFAOYSA-N 2 2 317.477 3.189 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000347055720 264149220 /nfs/dbraw/zinc/14/92/20/264149220.db2.gz UCBKPKCEUDTFDB-LBPRGKRZSA-N 2 2 302.340 3.001 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000347055720 264149223 /nfs/dbraw/zinc/14/92/23/264149223.db2.gz UCBKPKCEUDTFDB-LBPRGKRZSA-N 2 2 302.340 3.001 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000347097329 264155540 /nfs/dbraw/zinc/15/55/40/264155540.db2.gz IFBSEQYJJSAGAI-CABZTGNLSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000347097329 264155541 /nfs/dbraw/zinc/15/55/41/264155541.db2.gz IFBSEQYJJSAGAI-CABZTGNLSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105264 264157663 /nfs/dbraw/zinc/15/76/63/264157663.db2.gz MWHDTHQVCAYUHB-IUODEOHRSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105264 264157666 /nfs/dbraw/zinc/15/76/66/264157666.db2.gz MWHDTHQVCAYUHB-IUODEOHRSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145882 264164483 /nfs/dbraw/zinc/16/44/83/264164483.db2.gz YNGYEZFXGQEZJI-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145882 264164485 /nfs/dbraw/zinc/16/44/85/264164485.db2.gz YNGYEZFXGQEZJI-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195966 264174139 /nfs/dbraw/zinc/17/41/39/264174139.db2.gz HOBSBYJKSUPJEO-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195966 264174141 /nfs/dbraw/zinc/17/41/41/264174141.db2.gz HOBSBYJKSUPJEO-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP CCc1ccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347577030 264245693 /nfs/dbraw/zinc/24/56/93/264245693.db2.gz BOACOBIPYDYFIR-UHFFFAOYSA-N 2 2 303.475 3.399 20 0 DGADLP CCc1ccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347577030 264245694 /nfs/dbraw/zinc/24/56/94/264245694.db2.gz BOACOBIPYDYFIR-UHFFFAOYSA-N 2 2 303.475 3.399 20 0 DGADLP CC(C)COC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000347609868 264251438 /nfs/dbraw/zinc/25/14/38/264251438.db2.gz DJSBSATXCRINSR-IAGOWNOFSA-N 2 2 308.466 3.457 20 0 DGADLP CC(C)COC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000347609868 264251439 /nfs/dbraw/zinc/25/14/39/264251439.db2.gz DJSBSATXCRINSR-IAGOWNOFSA-N 2 2 308.466 3.457 20 0 DGADLP COc1ccc([C@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657534 264261413 /nfs/dbraw/zinc/26/14/13/264261413.db2.gz UIEQDHMVEUMKNT-ZDUSSCGKSA-N 2 2 319.474 3.406 20 0 DGADLP COc1ccc([C@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657534 264261414 /nfs/dbraw/zinc/26/14/14/264261414.db2.gz UIEQDHMVEUMKNT-ZDUSSCGKSA-N 2 2 319.474 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)cc2)c[nH+]1 ZINC000347679444 264266371 /nfs/dbraw/zinc/26/63/71/264266371.db2.gz NTEOXJVPTAMTNI-LJQANCHMSA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3C3CCOCC3)cc2)c[nH+]1 ZINC000347679444 264266372 /nfs/dbraw/zinc/26/63/72/264266372.db2.gz NTEOXJVPTAMTNI-LJQANCHMSA-N 2 2 311.429 3.263 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cccn1 ZINC000347726816 264274236 /nfs/dbraw/zinc/27/42/36/264274236.db2.gz BTNMXLOYKXJKTA-HKUYNNGSSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cccn1 ZINC000347726816 264274238 /nfs/dbraw/zinc/27/42/38/264274238.db2.gz BTNMXLOYKXJKTA-HKUYNNGSSA-N 2 2 314.477 3.018 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000347783855 264284030 /nfs/dbraw/zinc/28/40/30/264284030.db2.gz OHYNRVDETLQHQY-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000347783855 264284032 /nfs/dbraw/zinc/28/40/32/264284032.db2.gz OHYNRVDETLQHQY-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CSCCc2ccccc21)[NH+]1CCCC1 ZINC000347926910 264307153 /nfs/dbraw/zinc/30/71/53/264307153.db2.gz TVYJHHPMAYMEKZ-SJLPKXTDSA-N 2 2 304.503 3.481 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(F)cn1 ZINC000348083071 264336348 /nfs/dbraw/zinc/33/63/48/264336348.db2.gz KHWDPIRQAQBDCE-ZNMIVQPWSA-N 2 2 323.456 3.248 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(F)cn1 ZINC000348083071 264336350 /nfs/dbraw/zinc/33/63/50/264336350.db2.gz KHWDPIRQAQBDCE-ZNMIVQPWSA-N 2 2 323.456 3.248 20 0 DGADLP COC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000348089506 264337568 /nfs/dbraw/zinc/33/75/68/264337568.db2.gz UZDVAHGIYAOXCN-GOSISDBHSA-N 2 2 302.393 3.439 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1F ZINC000348099624 264340596 /nfs/dbraw/zinc/34/05/96/264340596.db2.gz CCGJGAKTOGEIIU-JMSVASOKSA-N 2 2 314.832 3.239 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1F ZINC000348099624 264340598 /nfs/dbraw/zinc/34/05/98/264340598.db2.gz CCGJGAKTOGEIIU-JMSVASOKSA-N 2 2 314.832 3.239 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(F)cn1 ZINC000348106997 264342034 /nfs/dbraw/zinc/34/20/34/264342034.db2.gz QBUBSJBSXBDTLO-UONOGXRCSA-N 2 2 309.429 3.002 20 0 DGADLP COc1ccc([C@@H](CCO)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348141387 264350538 /nfs/dbraw/zinc/35/05/38/264350538.db2.gz XVFDKHRKGMXRPL-LJQANCHMSA-N 2 2 314.429 3.045 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348227686 264369609 /nfs/dbraw/zinc/36/96/09/264369609.db2.gz FAVZTJQQTDZRPF-BEFAXECRSA-N 2 2 311.429 3.180 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348227686 264369611 /nfs/dbraw/zinc/36/96/11/264369611.db2.gz FAVZTJQQTDZRPF-BEFAXECRSA-N 2 2 311.429 3.180 20 0 DGADLP CCc1cccc(OCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000348254833 264375497 /nfs/dbraw/zinc/37/54/97/264375497.db2.gz GEVPTPSDWNAJDK-LPHOPBHVSA-N 2 2 313.445 3.407 20 0 DGADLP CCc1cccc(OCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000348254833 264375499 /nfs/dbraw/zinc/37/54/99/264375499.db2.gz GEVPTPSDWNAJDK-LPHOPBHVSA-N 2 2 313.445 3.407 20 0 DGADLP CCC1(CC)C[N@H+](Cc2ncc(C[NH+](C)C)s2)CCS1 ZINC000348262535 264377859 /nfs/dbraw/zinc/37/78/59/264377859.db2.gz PGLHHMLRKDRHSX-UHFFFAOYSA-N 2 2 313.536 3.312 20 0 DGADLP CCC1(CC)C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CCS1 ZINC000348262535 264377860 /nfs/dbraw/zinc/37/78/60/264377860.db2.gz PGLHHMLRKDRHSX-UHFFFAOYSA-N 2 2 313.536 3.312 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302646 264385258 /nfs/dbraw/zinc/38/52/58/264385258.db2.gz CPVPXNGVXAPBAF-SZMVWBNQSA-N 2 2 311.429 3.108 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000349405456 264519349 /nfs/dbraw/zinc/51/93/49/264519349.db2.gz IWCKPTCTXUQXGU-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000349405456 264519350 /nfs/dbraw/zinc/51/93/50/264519350.db2.gz IWCKPTCTXUQXGU-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000349959248 264567488 /nfs/dbraw/zinc/56/74/88/264567488.db2.gz CZLZVQLGAHKGLN-NUJGCVRESA-N 2 2 305.466 3.219 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000349959248 264567490 /nfs/dbraw/zinc/56/74/90/264567490.db2.gz CZLZVQLGAHKGLN-NUJGCVRESA-N 2 2 305.466 3.219 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnn(Cc4ccccc4)c3)C2)[nH]1 ZINC000270178263 432228835 /nfs/dbraw/zinc/22/88/35/432228835.db2.gz ACHHZPKQUWJNFK-GOSISDBHSA-N 2 2 321.428 3.034 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)[nH]1 ZINC000270178263 432228842 /nfs/dbraw/zinc/22/88/42/432228842.db2.gz ACHHZPKQUWJNFK-GOSISDBHSA-N 2 2 321.428 3.034 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352425025 265044980 /nfs/dbraw/zinc/04/49/80/265044980.db2.gz WMLPVBZKZIGWAZ-UHFFFAOYSA-N 2 2 302.462 3.274 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352425025 265044981 /nfs/dbraw/zinc/04/49/81/265044981.db2.gz WMLPVBZKZIGWAZ-UHFFFAOYSA-N 2 2 302.462 3.274 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000352467074 265059080 /nfs/dbraw/zinc/05/90/80/265059080.db2.gz IFFZZYPQQFONIF-UVQBRAAOSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000352467074 265059081 /nfs/dbraw/zinc/05/90/81/265059081.db2.gz IFFZZYPQQFONIF-UVQBRAAOSA-N 2 2 302.462 3.309 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534439 265081994 /nfs/dbraw/zinc/08/19/94/265081994.db2.gz GPHYOFVREZYDSV-LJQANCHMSA-N 2 2 317.452 3.001 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534439 265081998 /nfs/dbraw/zinc/08/19/98/265081998.db2.gz GPHYOFVREZYDSV-LJQANCHMSA-N 2 2 317.452 3.001 20 0 DGADLP Clc1ccc2cccnc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541339 265083280 /nfs/dbraw/zinc/08/32/80/265083280.db2.gz WSRXBIJWJSYUIN-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1ccc2cccnc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541339 265083282 /nfs/dbraw/zinc/08/32/82/265083282.db2.gz WSRXBIJWJSYUIN-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1OCc1ccccc1 ZINC000352685793 265129176 /nfs/dbraw/zinc/12/91/76/265129176.db2.gz WJHACJSNDCIVNO-MSOLQXFVSA-N 2 2 313.445 3.247 20 0 DGADLP CCOCc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352781235 265164259 /nfs/dbraw/zinc/16/42/59/265164259.db2.gz SKERNGAALWGRJV-UHFFFAOYSA-N 2 2 319.474 3.031 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000352830551 265185025 /nfs/dbraw/zinc/18/50/25/265185025.db2.gz BCXGUNIMNMURSO-NRMKIYEFSA-N 2 2 310.388 3.375 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000352830551 265185030 /nfs/dbraw/zinc/18/50/30/265185030.db2.gz BCXGUNIMNMURSO-NRMKIYEFSA-N 2 2 310.388 3.375 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000352838327 265191548 /nfs/dbraw/zinc/19/15/48/265191548.db2.gz MGYHOFKAJBSSIW-ZWNOBZJWSA-N 2 2 314.351 3.126 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000352838327 265191552 /nfs/dbraw/zinc/19/15/52/265191552.db2.gz MGYHOFKAJBSSIW-ZWNOBZJWSA-N 2 2 314.351 3.126 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930467 265234808 /nfs/dbraw/zinc/23/48/08/265234808.db2.gz KRLIATBIOZVDAP-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930467 265234811 /nfs/dbraw/zinc/23/48/11/265234811.db2.gz KRLIATBIOZVDAP-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930467 265234815 /nfs/dbraw/zinc/23/48/15/265234815.db2.gz KRLIATBIOZVDAP-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930467 265234818 /nfs/dbraw/zinc/23/48/18/265234818.db2.gz KRLIATBIOZVDAP-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP Cc1cccc(CCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000352939651 265238766 /nfs/dbraw/zinc/23/87/66/265238766.db2.gz ARIMAOOVNKBVSF-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000352939651 265238767 /nfs/dbraw/zinc/23/87/67/265238767.db2.gz ARIMAOOVNKBVSF-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000353004814 265262509 /nfs/dbraw/zinc/26/25/09/265262509.db2.gz NOOBMKMZAVVUOE-AWEZNQCLSA-N 2 2 314.433 3.219 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cnn3ccccc23)n1-c1ccccc1 ZINC000353016913 265266650 /nfs/dbraw/zinc/26/66/50/265266650.db2.gz JOALNUMPINZLNZ-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP COCC1(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CCCCC1 ZINC000353076194 265289715 /nfs/dbraw/zinc/28/97/15/265289715.db2.gz AELZDQDUIWEPTQ-UHFFFAOYSA-N 2 2 301.434 3.329 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000353128563 265308812 /nfs/dbraw/zinc/30/88/12/265308812.db2.gz ROXKDAFVYQMFHF-YSIASYRMSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000353128563 265308823 /nfs/dbraw/zinc/30/88/23/265308823.db2.gz ROXKDAFVYQMFHF-YSIASYRMSA-N 2 2 315.505 3.113 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000353228301 265353444 /nfs/dbraw/zinc/35/34/44/265353444.db2.gz CTQNBPJJKIKGPM-GZBFAFLISA-N 2 2 302.418 3.260 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000353228301 265353449 /nfs/dbraw/zinc/35/34/49/265353449.db2.gz CTQNBPJJKIKGPM-GZBFAFLISA-N 2 2 302.418 3.260 20 0 DGADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCC(F)(F)CC1 ZINC000353280642 265373832 /nfs/dbraw/zinc/37/38/32/265373832.db2.gz WDFMPIQXZHJNRB-GXTWGEPZSA-N 2 2 306.466 3.227 20 0 DGADLP OCCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353306173 265383128 /nfs/dbraw/zinc/38/31/28/265383128.db2.gz GCQBZQLDMSGZLA-UHFFFAOYSA-N 2 2 321.424 3.257 20 0 DGADLP OCCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353306173 265383131 /nfs/dbraw/zinc/38/31/31/265383131.db2.gz GCQBZQLDMSGZLA-UHFFFAOYSA-N 2 2 321.424 3.257 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)CCC2 ZINC000353315490 265385540 /nfs/dbraw/zinc/38/55/40/265385540.db2.gz CVUIIAONZMLEFD-BSDSXHPESA-N 2 2 317.477 3.254 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2OC)[C@H](C)C1 ZINC000353319976 265387276 /nfs/dbraw/zinc/38/72/76/265387276.db2.gz HIYAYPLCFOXJEZ-HIFRSBDPSA-N 2 2 302.418 3.261 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2OC)[C@H](C)C1 ZINC000353319976 265387277 /nfs/dbraw/zinc/38/72/77/265387277.db2.gz HIYAYPLCFOXJEZ-HIFRSBDPSA-N 2 2 302.418 3.261 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353321319 265388592 /nfs/dbraw/zinc/38/85/92/265388592.db2.gz IDCYMEJEINERMF-UONOGXRCSA-N 2 2 300.402 3.158 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353321319 265388594 /nfs/dbraw/zinc/38/85/94/265388594.db2.gz IDCYMEJEINERMF-UONOGXRCSA-N 2 2 300.402 3.158 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)s1 ZINC000354126302 265674261 /nfs/dbraw/zinc/67/42/61/265674261.db2.gz JDMJUBMYHPMBGO-ZDUSSCGKSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](c3ccccc3F)C2)s1 ZINC000354126302 265674265 /nfs/dbraw/zinc/67/42/65/265674265.db2.gz JDMJUBMYHPMBGO-ZDUSSCGKSA-N 2 2 319.449 3.333 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422710955 533686838 /nfs/dbraw/zinc/68/68/38/533686838.db2.gz LZOPPXMDZAFFJU-YOEHRIQHSA-N 2 2 318.461 3.247 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215249 266002330 /nfs/dbraw/zinc/00/23/30/266002330.db2.gz CALOSNKPQOIRDM-DZGCQCFKSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215249 266002331 /nfs/dbraw/zinc/00/23/31/266002331.db2.gz CALOSNKPQOIRDM-DZGCQCFKSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215249 266002333 /nfs/dbraw/zinc/00/23/33/266002333.db2.gz CALOSNKPQOIRDM-DZGCQCFKSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215249 266002334 /nfs/dbraw/zinc/00/23/34/266002334.db2.gz CALOSNKPQOIRDM-DZGCQCFKSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238745 266012287 /nfs/dbraw/zinc/01/22/87/266012287.db2.gz NWOUFZJYDWLSML-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238745 266012288 /nfs/dbraw/zinc/01/22/88/266012288.db2.gz NWOUFZJYDWLSML-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238745 266012291 /nfs/dbraw/zinc/01/22/91/266012291.db2.gz NWOUFZJYDWLSML-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238745 266012293 /nfs/dbraw/zinc/01/22/93/266012293.db2.gz NWOUFZJYDWLSML-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP CC(C)(C)CC[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000355729524 266167754 /nfs/dbraw/zinc/16/77/54/266167754.db2.gz LZRQFWMZASJDAK-ZDUSSCGKSA-N 2 2 307.463 3.211 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000356105718 266284389 /nfs/dbraw/zinc/28/43/89/266284389.db2.gz JLZFZWGXWRAHKU-HNNXBMFYSA-N 2 2 321.384 3.098 20 0 DGADLP c1cn2c(cccc2CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)[nH+]1 ZINC000356301793 266347273 /nfs/dbraw/zinc/34/72/73/266347273.db2.gz LBFJCTSGMYMBSL-KRWDZBQOSA-N 2 2 318.424 3.319 20 0 DGADLP c1cn2c(cccc2CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)[nH+]1 ZINC000356301793 266347274 /nfs/dbraw/zinc/34/72/74/266347274.db2.gz LBFJCTSGMYMBSL-KRWDZBQOSA-N 2 2 318.424 3.319 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182861921 432236512 /nfs/dbraw/zinc/23/65/12/432236512.db2.gz SKFCMQQVGUZTGF-SFHVURJKSA-N 3 2 318.509 3.250 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182861921 432236517 /nfs/dbraw/zinc/23/65/17/432236517.db2.gz SKFCMQQVGUZTGF-SFHVURJKSA-N 3 2 318.509 3.250 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(CO)c1 ZINC000270420696 432244526 /nfs/dbraw/zinc/24/45/26/432244526.db2.gz FIERPPUCNJKGBA-INIZCTEOSA-N 2 2 321.424 3.275 20 0 DGADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000359870739 271004569 /nfs/dbraw/zinc/00/45/69/271004569.db2.gz JGNLQCZTLBNFIO-KRWDZBQOSA-N 2 2 315.465 3.449 20 0 DGADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000359870739 271004571 /nfs/dbraw/zinc/00/45/71/271004571.db2.gz JGNLQCZTLBNFIO-KRWDZBQOSA-N 2 2 315.465 3.449 20 0 DGADLP COc1ccc2oc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000367708637 271068691 /nfs/dbraw/zinc/06/86/91/271068691.db2.gz VJDSIXWKUKNORV-ZDUSSCGKSA-N 2 2 311.385 3.164 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000367887399 271092548 /nfs/dbraw/zinc/09/25/48/271092548.db2.gz RVHDQPVDHNQPDR-MNEFBYGVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000367887399 271092553 /nfs/dbraw/zinc/09/25/53/271092553.db2.gz RVHDQPVDHNQPDR-MNEFBYGVSA-N 2 2 324.472 3.050 20 0 DGADLP Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000369081198 271238266 /nfs/dbraw/zinc/23/82/66/271238266.db2.gz AURAOMMOOVMPPO-SFHVURJKSA-N 2 2 322.412 3.216 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000369682295 271310703 /nfs/dbraw/zinc/31/07/03/271310703.db2.gz CYZKWAZROAJZQZ-LLVKDONJSA-N 2 2 309.335 3.217 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000369682295 271310704 /nfs/dbraw/zinc/31/07/04/271310704.db2.gz CYZKWAZROAJZQZ-LLVKDONJSA-N 2 2 309.335 3.217 20 0 DGADLP Cn1c(Cl)cnc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000370638180 271377197 /nfs/dbraw/zinc/37/71/97/271377197.db2.gz ULHIHYFPXABTLO-UHFFFAOYSA-N 2 2 324.900 3.208 20 0 DGADLP CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062791 432254741 /nfs/dbraw/zinc/25/47/41/432254741.db2.gz AHPJPAJVHFFNFS-AEFFLSMTSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062791 432254746 /nfs/dbraw/zinc/25/47/46/432254746.db2.gz AHPJPAJVHFFNFS-AEFFLSMTSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422783477 273751816 /nfs/dbraw/zinc/75/18/16/273751816.db2.gz HOHWOQQGBYGUIZ-OALUTQOASA-N 3 2 303.494 3.149 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986419 432258621 /nfs/dbraw/zinc/25/86/21/432258621.db2.gz ILFNEEYOFYBLLC-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986419 432258626 /nfs/dbraw/zinc/25/86/26/432258626.db2.gz ILFNEEYOFYBLLC-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986419 432258630 /nfs/dbraw/zinc/25/86/30/432258630.db2.gz ILFNEEYOFYBLLC-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986419 432258631 /nfs/dbraw/zinc/25/86/31/432258631.db2.gz ILFNEEYOFYBLLC-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CCC[NH2+]1 ZINC000423431271 274047183 /nfs/dbraw/zinc/04/71/83/274047183.db2.gz QHSFHJVARPDIDZ-LNSITVRQSA-N 2 2 312.504 3.032 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000166247660 274138248 /nfs/dbraw/zinc/13/82/48/274138248.db2.gz IVLULAINQXZIGN-HBUWYVDXSA-N 2 2 316.445 3.124 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000166247660 274138249 /nfs/dbraw/zinc/13/82/49/274138249.db2.gz IVLULAINQXZIGN-HBUWYVDXSA-N 2 2 316.445 3.124 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446977291 274153342 /nfs/dbraw/zinc/15/33/42/274153342.db2.gz MSCNGMAZDQZCQW-FUHWJXTLSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446977291 274153343 /nfs/dbraw/zinc/15/33/43/274153343.db2.gz MSCNGMAZDQZCQW-FUHWJXTLSA-N 2 2 314.473 3.159 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000089555426 274356194 /nfs/dbraw/zinc/35/61/94/274356194.db2.gz JEDNJCZGPNRRGP-AEFFLSMTSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000089555426 274356195 /nfs/dbraw/zinc/35/61/95/274356195.db2.gz JEDNJCZGPNRRGP-AEFFLSMTSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1C[NH3+] ZINC000422640945 274399328 /nfs/dbraw/zinc/39/93/28/274399328.db2.gz WPQKTQYQKBESNC-FRRDWIJNSA-N 2 2 322.403 3.237 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1C[NH3+] ZINC000422640945 274399333 /nfs/dbraw/zinc/39/93/33/274399333.db2.gz WPQKTQYQKBESNC-FRRDWIJNSA-N 2 2 322.403 3.237 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711663 533689258 /nfs/dbraw/zinc/68/92/58/533689258.db2.gz QMLMNVZZRHASDN-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711663 533689263 /nfs/dbraw/zinc/68/92/63/533689263.db2.gz QMLMNVZZRHASDN-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711663 533689272 /nfs/dbraw/zinc/68/92/72/533689272.db2.gz QMLMNVZZRHASDN-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711663 533689279 /nfs/dbraw/zinc/68/92/79/533689279.db2.gz QMLMNVZZRHASDN-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422725694 275561257 /nfs/dbraw/zinc/56/12/57/275561257.db2.gz YODHSGTZDJESML-YJBOKZPZSA-N 2 2 317.477 3.291 20 0 DGADLP CC[N@H+](CCNc1cc[nH+]c(C(C)C)n1)CCC(F)(F)F ZINC000491800846 429412377 /nfs/dbraw/zinc/41/23/77/429412377.db2.gz CLNOWBOQONUHFR-UHFFFAOYSA-N 2 2 304.360 3.286 20 0 DGADLP CC[N@@H+](CCNc1cc[nH+]c(C(C)C)n1)CCC(F)(F)F ZINC000491800846 429412382 /nfs/dbraw/zinc/41/23/82/429412382.db2.gz CLNOWBOQONUHFR-UHFFFAOYSA-N 2 2 304.360 3.286 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000468546847 276293514 /nfs/dbraw/zinc/29/35/14/276293514.db2.gz FMRAOZMUNHWICY-CGTJXYLNSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000468546847 276293516 /nfs/dbraw/zinc/29/35/16/276293516.db2.gz FMRAOZMUNHWICY-CGTJXYLNSA-N 2 2 322.493 3.057 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C12CCC2 ZINC000344089679 276345424 /nfs/dbraw/zinc/34/54/24/276345424.db2.gz BCVDWSHJOQDGRA-BZUAXINKSA-N 2 2 303.450 3.006 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427594901 277064548 /nfs/dbraw/zinc/06/45/48/277064548.db2.gz BBQJKMRTTLTVLH-DOMZBBRYSA-N 2 2 313.367 3.162 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427594901 277064550 /nfs/dbraw/zinc/06/45/50/277064550.db2.gz BBQJKMRTTLTVLH-DOMZBBRYSA-N 2 2 313.367 3.162 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599157 277145933 /nfs/dbraw/zinc/14/59/33/277145933.db2.gz IUIGBLUGKRHGRC-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599157 277145934 /nfs/dbraw/zinc/14/59/34/277145934.db2.gz IUIGBLUGKRHGRC-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599157 277145935 /nfs/dbraw/zinc/14/59/35/277145935.db2.gz IUIGBLUGKRHGRC-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599157 277145936 /nfs/dbraw/zinc/14/59/36/277145936.db2.gz IUIGBLUGKRHGRC-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP CO[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000283652600 277328899 /nfs/dbraw/zinc/32/88/99/277328899.db2.gz DBEOHMFKXPMWNV-LJQANCHMSA-N 2 2 302.462 3.324 20 0 DGADLP CSC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423234154 277514613 /nfs/dbraw/zinc/51/46/13/277514613.db2.gz LDNHLMGHZJFUFD-KBPBESRZSA-N 2 2 318.408 3.451 20 0 DGADLP COc1ccc2nc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)sc2c1 ZINC000429536687 278003441 /nfs/dbraw/zinc/00/34/41/278003441.db2.gz FWRWSEKXLMWTGV-ZDUSSCGKSA-N 2 2 319.474 3.221 20 0 DGADLP COc1ccc2nc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)sc2c1 ZINC000429536687 278003444 /nfs/dbraw/zinc/00/34/44/278003444.db2.gz FWRWSEKXLMWTGV-ZDUSSCGKSA-N 2 2 319.474 3.221 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000286687786 278067974 /nfs/dbraw/zinc/06/79/74/278067974.db2.gz BIJVVHBJFWBFTP-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000286687786 278067975 /nfs/dbraw/zinc/06/79/75/278067975.db2.gz BIJVVHBJFWBFTP-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP CS[C@H]1CN(c2cc(C)[nH+]c3c(F)cccc23)C[C@@H]1[NH+](C)C ZINC000340753086 278167721 /nfs/dbraw/zinc/16/77/21/278167721.db2.gz KUIRDHVRFHDXGQ-HOTGVXAUSA-N 2 2 319.449 3.164 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280161174 278383794 /nfs/dbraw/zinc/38/37/94/278383794.db2.gz QQWJDEYQSUDWNG-KDOFPFPSSA-N 2 2 321.428 3.334 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CCC[N@@H+]1Cc1ccccc1 ZINC000340363558 279126038 /nfs/dbraw/zinc/12/60/38/279126038.db2.gz GITGYTBMICUMFX-RUGGUXRKSA-N 2 2 314.473 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CCC[N@H+]1Cc1ccccc1 ZINC000340363558 279126041 /nfs/dbraw/zinc/12/60/41/279126041.db2.gz GITGYTBMICUMFX-RUGGUXRKSA-N 2 2 314.473 3.197 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000247010724 279129390 /nfs/dbraw/zinc/12/93/90/279129390.db2.gz TXONVHFRIKBBTI-ZTFGCOKTSA-N 2 2 313.445 3.138 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000422775290 279373378 /nfs/dbraw/zinc/37/33/78/279373378.db2.gz AYQOQMJMQRPUPE-AYOQOUSVSA-N 2 2 302.462 3.275 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000423067211 279402597 /nfs/dbraw/zinc/40/25/97/279402597.db2.gz YWQUAKXCDWADJV-MORSLUCNSA-N 2 2 314.404 3.197 20 0 DGADLP CC(C)(C)c1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000111243224 431200077 /nfs/dbraw/zinc/20/00/77/431200077.db2.gz UDDAPQYZZSNENA-UHFFFAOYSA-N 2 2 304.463 3.474 20 0 DGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803028 431223859 /nfs/dbraw/zinc/22/38/59/431223859.db2.gz ZGNVEVAYNPSQBO-GOSISDBHSA-N 2 2 324.468 3.384 20 0 DGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803028 431223869 /nfs/dbraw/zinc/22/38/69/431223869.db2.gz ZGNVEVAYNPSQBO-GOSISDBHSA-N 2 2 324.468 3.384 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173788 431241573 /nfs/dbraw/zinc/24/15/73/431241573.db2.gz RIRUARFTRCKMFD-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173788 431241577 /nfs/dbraw/zinc/24/15/77/431241577.db2.gz RIRUARFTRCKMFD-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000113515175 431351732 /nfs/dbraw/zinc/35/17/32/431351732.db2.gz SHLUJNKTJQXQIW-CYBMUJFWSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000113515175 431351752 /nfs/dbraw/zinc/35/17/52/431351752.db2.gz SHLUJNKTJQXQIW-CYBMUJFWSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)Cc1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000072971749 431359088 /nfs/dbraw/zinc/35/90/88/431359088.db2.gz XBKWRONLDWZIBD-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000073843107 431384111 /nfs/dbraw/zinc/38/41/11/431384111.db2.gz DYZWBVOVSSOVFJ-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000074198701 431404425 /nfs/dbraw/zinc/40/44/25/431404425.db2.gz RXTZOSJBXOGSNK-UHFFFAOYSA-N 2 2 323.400 3.221 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000453298634 280032906 /nfs/dbraw/zinc/03/29/06/280032906.db2.gz WKAPCBKCMGEXTF-VDGAXYAQSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000453298634 280032908 /nfs/dbraw/zinc/03/29/08/280032908.db2.gz WKAPCBKCMGEXTF-VDGAXYAQSA-N 2 2 316.489 3.307 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000123137974 280145939 /nfs/dbraw/zinc/14/59/39/280145939.db2.gz AAJMJBWMDFJCTR-UZLBHIALSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000123137974 280145942 /nfs/dbraw/zinc/14/59/42/280145942.db2.gz AAJMJBWMDFJCTR-UZLBHIALSA-N 2 2 316.489 3.228 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000118960468 431628961 /nfs/dbraw/zinc/62/89/61/431628961.db2.gz GYJHBBPQQFSTBG-CYBMUJFWSA-N 2 2 322.250 3.380 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000192838133 280482904 /nfs/dbraw/zinc/48/29/04/280482904.db2.gz RZGGAWKDIMSBSA-HXUWFJFHSA-N 2 2 307.441 3.387 20 0 DGADLP Cc1cc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc[nH+]1 ZINC000119556574 431706686 /nfs/dbraw/zinc/70/66/86/431706686.db2.gz QRJBOHMRTAJVLI-UHFFFAOYSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1cc(NC(=O)NCCC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000119556574 431706695 /nfs/dbraw/zinc/70/66/95/431706695.db2.gz QRJBOHMRTAJVLI-UHFFFAOYSA-N 2 2 304.438 3.166 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000119686621 431714764 /nfs/dbraw/zinc/71/47/64/431714764.db2.gz IIJMJDACPKWYLR-CQSZACIVSA-N 2 2 305.491 3.299 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)[nH]c2c1 ZINC000121482766 431792377 /nfs/dbraw/zinc/79/23/77/431792377.db2.gz CELQHGNZGIJWTM-VHSSKADRSA-N 2 2 311.429 3.043 20 0 DGADLP Clc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000036932207 431843272 /nfs/dbraw/zinc/84/32/72/431843272.db2.gz XUNIFRWNQFTVKS-UHFFFAOYSA-N 2 2 301.821 3.494 20 0 DGADLP C[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000038087765 431854705 /nfs/dbraw/zinc/85/47/05/431854705.db2.gz NUKBSVQYIIXPNQ-ZOODHJKOSA-N 2 2 311.267 3.235 20 0 DGADLP Brc1csc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000035054394 431823597 /nfs/dbraw/zinc/82/35/97/431823597.db2.gz CVFQASJYWXQRHD-UHFFFAOYSA-N 2 2 315.280 3.227 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000122328341 431827193 /nfs/dbraw/zinc/82/71/93/431827193.db2.gz UPLOSGWDOMQOEH-KOLCDFICSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000122328341 431827196 /nfs/dbraw/zinc/82/71/96/431827196.db2.gz UPLOSGWDOMQOEH-KOLCDFICSA-N 2 2 303.269 3.070 20 0 DGADLP C[NH+](C)Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000047538241 431911613 /nfs/dbraw/zinc/91/16/13/431911613.db2.gz BYAAKTCPOVVXIS-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCC(C)C ZINC000125451980 431925424 /nfs/dbraw/zinc/92/54/24/431925424.db2.gz ONOYVRLZBRSPMT-KRWDZBQOSA-N 2 2 320.477 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCC(C)C ZINC000125451980 431925427 /nfs/dbraw/zinc/92/54/27/431925427.db2.gz ONOYVRLZBRSPMT-KRWDZBQOSA-N 2 2 320.477 3.114 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2n1C(F)F ZINC000124284589 431888600 /nfs/dbraw/zinc/88/86/00/431888600.db2.gz ROQBNIYRCFOKDT-UHFFFAOYSA-N 2 2 319.359 3.150 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2n1C(F)F ZINC000124284589 431888602 /nfs/dbraw/zinc/88/86/02/431888602.db2.gz ROQBNIYRCFOKDT-UHFFFAOYSA-N 2 2 319.359 3.150 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003928 431888844 /nfs/dbraw/zinc/88/88/44/431888844.db2.gz IEINAPUDXXMUAE-CQSZACIVSA-N 2 2 318.490 3.284 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003928 431888846 /nfs/dbraw/zinc/88/88/46/431888846.db2.gz IEINAPUDXXMUAE-CQSZACIVSA-N 2 2 318.490 3.284 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCC(C)C ZINC000125451739 431925682 /nfs/dbraw/zinc/92/56/82/431925682.db2.gz ONOYVRLZBRSPMT-QGZVFWFLSA-N 2 2 320.477 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCC(C)C ZINC000125451739 431925684 /nfs/dbraw/zinc/92/56/84/431925684.db2.gz ONOYVRLZBRSPMT-QGZVFWFLSA-N 2 2 320.477 3.114 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1Cl ZINC000098143739 431979159 /nfs/dbraw/zinc/97/91/59/431979159.db2.gz QJPZIRHBUOODGZ-GJZGRUSLSA-N 2 2 310.869 3.083 20 0 DGADLP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000127740286 431979425 /nfs/dbraw/zinc/97/94/25/431979425.db2.gz GIVGCTOBNKJDDG-RTBURBONSA-N 3 2 319.537 3.392 20 0 DGADLP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000127740286 431979428 /nfs/dbraw/zinc/97/94/28/431979428.db2.gz GIVGCTOBNKJDDG-RTBURBONSA-N 3 2 319.537 3.392 20 0 DGADLP CCc1ccc([C@H]2COCC[N@@H+]2CCCCn2cc[nH+]c2C)o1 ZINC000125521552 431928116 /nfs/dbraw/zinc/92/81/16/431928116.db2.gz YBWTWELDIZDFAV-QGZVFWFLSA-N 2 2 317.433 3.201 20 0 DGADLP CCc1ccc([C@H]2COCC[N@H+]2CCCCn2cc[nH+]c2C)o1 ZINC000125521552 431928119 /nfs/dbraw/zinc/92/81/19/431928119.db2.gz YBWTWELDIZDFAV-QGZVFWFLSA-N 2 2 317.433 3.201 20 0 DGADLP CC(C)C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125780752 431935408 /nfs/dbraw/zinc/93/54/08/431935408.db2.gz ZAIOHYFFPQLBFF-DLBZAZTESA-N 2 2 300.450 3.065 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1Br ZINC000049557707 431941525 /nfs/dbraw/zinc/94/15/25/431941525.db2.gz MBPSYZQCXWGUJV-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP C[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000126135111 431943057 /nfs/dbraw/zinc/94/30/57/431943057.db2.gz FAXPWNQQLYKQBJ-LJQANCHMSA-N 2 2 320.440 3.221 20 0 DGADLP C[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000126135111 431943060 /nfs/dbraw/zinc/94/30/60/431943060.db2.gz FAXPWNQQLYKQBJ-LJQANCHMSA-N 2 2 320.440 3.221 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000173298743 432270463 /nfs/dbraw/zinc/27/04/63/432270463.db2.gz GJWRPWJSOLQKJK-RDJZCZTQSA-N 2 2 322.518 3.416 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(Cl)s1 ZINC000191507907 432272840 /nfs/dbraw/zinc/27/28/40/432272840.db2.gz BPKIWTDZJZMWOU-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(Cl)s1 ZINC000191507907 432272843 /nfs/dbraw/zinc/27/28/43/432272843.db2.gz BPKIWTDZJZMWOU-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151775904 432274761 /nfs/dbraw/zinc/27/47/61/432274761.db2.gz WQAQMUJSFFSLIG-LEWJYISDSA-N 2 2 324.468 3.147 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151775904 432274764 /nfs/dbraw/zinc/27/47/64/432274764.db2.gz WQAQMUJSFFSLIG-LEWJYISDSA-N 2 2 324.468 3.147 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183321262 432282424 /nfs/dbraw/zinc/28/24/24/432282424.db2.gz DLOYQNLCIFPIPE-SJORKVTESA-N 2 2 312.457 3.350 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183321262 432282429 /nfs/dbraw/zinc/28/24/29/432282429.db2.gz DLOYQNLCIFPIPE-SJORKVTESA-N 2 2 312.457 3.350 20 0 DGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618058 432289554 /nfs/dbraw/zinc/28/95/54/432289554.db2.gz OOQDLMCLJBQJGM-OAHLLOKOSA-N 2 2 317.477 3.038 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248490087 432295755 /nfs/dbraw/zinc/29/57/55/432295755.db2.gz NHPXSXYYBPJCGJ-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248490087 432295756 /nfs/dbraw/zinc/29/57/56/432295756.db2.gz NHPXSXYYBPJCGJ-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000248014634 432261237 /nfs/dbraw/zinc/26/12/37/432261237.db2.gz LQFXQAKFGBGNHE-MPGHIAIKSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248014634 432261241 /nfs/dbraw/zinc/26/12/41/432261241.db2.gz LQFXQAKFGBGNHE-MPGHIAIKSA-N 3 2 312.461 3.314 20 0 DGADLP CCCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248036726 432263194 /nfs/dbraw/zinc/26/31/94/432263194.db2.gz RUJCCLFHJZJJIU-IEBWSBKVSA-N 2 2 319.493 3.088 20 0 DGADLP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248036726 432263200 /nfs/dbraw/zinc/26/32/00/432263200.db2.gz RUJCCLFHJZJJIU-IEBWSBKVSA-N 2 2 319.493 3.088 20 0 DGADLP CC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248062729 432265266 /nfs/dbraw/zinc/26/52/66/432265266.db2.gz YYQOJHXCLNUBOT-OKZBNKHCSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248062729 432265269 /nfs/dbraw/zinc/26/52/69/432265269.db2.gz YYQOJHXCLNUBOT-OKZBNKHCSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000248062729 432265274 /nfs/dbraw/zinc/26/52/74/432265274.db2.gz YYQOJHXCLNUBOT-OKZBNKHCSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000248062729 432265276 /nfs/dbraw/zinc/26/52/76/432265276.db2.gz YYQOJHXCLNUBOT-OKZBNKHCSA-N 2 2 319.493 3.127 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000152301205 432322984 /nfs/dbraw/zinc/32/29/84/432322984.db2.gz HQCNPHBOQYCDHM-UHFFFAOYSA-N 2 2 318.465 3.332 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000248890204 432327170 /nfs/dbraw/zinc/32/71/70/432327170.db2.gz RWDFEYWZZTXYLP-IEBWSBKVSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000248890204 432327175 /nfs/dbraw/zinc/32/71/75/432327175.db2.gz RWDFEYWZZTXYLP-IEBWSBKVSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192036379 432327931 /nfs/dbraw/zinc/32/79/31/432327931.db2.gz KRSKZUOPPSJHMM-GOSISDBHSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000192036379 432327936 /nfs/dbraw/zinc/32/79/36/432327936.db2.gz KRSKZUOPPSJHMM-GOSISDBHSA-N 3 2 324.472 3.098 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000249265230 432343303 /nfs/dbraw/zinc/34/33/03/432343303.db2.gz IDWAGJMXYWHVFY-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000249265230 432343306 /nfs/dbraw/zinc/34/33/06/432343306.db2.gz IDWAGJMXYWHVFY-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000249265230 432343310 /nfs/dbraw/zinc/34/33/10/432343310.db2.gz IDWAGJMXYWHVFY-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000249265230 432343312 /nfs/dbraw/zinc/34/33/12/432343312.db2.gz IDWAGJMXYWHVFY-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000271174227 432344620 /nfs/dbraw/zinc/34/46/20/432344620.db2.gz GIXAPUMQLJPKMM-CQSZACIVSA-N 2 2 320.868 3.151 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000271174227 432344625 /nfs/dbraw/zinc/34/46/25/432344625.db2.gz GIXAPUMQLJPKMM-CQSZACIVSA-N 2 2 320.868 3.151 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000271185256 432348209 /nfs/dbraw/zinc/34/82/09/432348209.db2.gz FIWIBVZYVKAYQF-QRQLOZEOSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000271185256 432348210 /nfs/dbraw/zinc/34/82/10/432348210.db2.gz FIWIBVZYVKAYQF-QRQLOZEOSA-N 2 2 314.473 3.341 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000152757777 432354026 /nfs/dbraw/zinc/35/40/26/432354026.db2.gz VOEJFBYRCXNQCL-GOSISDBHSA-N 2 2 311.429 3.048 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000248715442 432312226 /nfs/dbraw/zinc/31/22/26/432312226.db2.gz RINLKUQUHWLWFP-GJZGRUSLSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1Br ZINC000248715442 432312229 /nfs/dbraw/zinc/31/22/29/432312229.db2.gz RINLKUQUHWLWFP-GJZGRUSLSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000152216679 432315414 /nfs/dbraw/zinc/31/54/14/432315414.db2.gz BIEDNNBVNCJROR-UHFFFAOYSA-N 2 2 318.465 3.476 20 0 DGADLP c1ccc2c(c1)C=C(C[NH+]1CCC([NH+]3CCCCC3)CC1)CO2 ZINC000271019703 432315932 /nfs/dbraw/zinc/31/59/32/432315932.db2.gz AAGHVBFVFOYZFL-UHFFFAOYSA-N 2 2 312.457 3.413 20 0 DGADLP Cc1cncc([C@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000184277028 432375481 /nfs/dbraw/zinc/37/54/81/432375481.db2.gz WLKCWCGAYKWBAY-INIZCTEOSA-N 2 2 319.518 3.402 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc(C)c1F ZINC000153352614 432402215 /nfs/dbraw/zinc/40/22/15/432402215.db2.gz DBDTZGLUGWFYLR-XJKSGUPXSA-N 2 2 308.441 3.061 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356218 432362841 /nfs/dbraw/zinc/36/28/41/432362841.db2.gz UUOIQCNLCDTRFT-NRFANRHFSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356218 432362845 /nfs/dbraw/zinc/36/28/45/432362845.db2.gz UUOIQCNLCDTRFT-NRFANRHFSA-N 2 2 324.468 3.376 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000251525115 432369557 /nfs/dbraw/zinc/36/95/57/432369557.db2.gz LSBRFJNLXYGHCW-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000251525115 432369560 /nfs/dbraw/zinc/36/95/60/432369560.db2.gz LSBRFJNLXYGHCW-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000271494392 432406945 /nfs/dbraw/zinc/40/69/45/432406945.db2.gz LGYNNSXYQAHWOZ-RGFKIIKPSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000271494392 432406947 /nfs/dbraw/zinc/40/69/47/432406947.db2.gz LGYNNSXYQAHWOZ-RGFKIIKPSA-N 2 2 306.425 3.117 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261571721 432429594 /nfs/dbraw/zinc/42/95/94/432429594.db2.gz LELPBTHIWURJAT-OSAQELSMSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261571721 432429598 /nfs/dbraw/zinc/42/95/98/432429598.db2.gz LELPBTHIWURJAT-OSAQELSMSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000261567486 432430698 /nfs/dbraw/zinc/43/06/98/432430698.db2.gz ZUVFEAFYBBCTNM-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000261567486 432430703 /nfs/dbraw/zinc/43/07/03/432430703.db2.gz ZUVFEAFYBBCTNM-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261594338 432432359 /nfs/dbraw/zinc/43/23/59/432432359.db2.gz NMCRSAOEAXPXND-OFQRWUPVSA-N 2 2 323.278 3.442 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261594338 432432361 /nfs/dbraw/zinc/43/23/61/432432361.db2.gz NMCRSAOEAXPXND-OFQRWUPVSA-N 2 2 323.278 3.442 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261628120 432435566 /nfs/dbraw/zinc/43/55/66/432435566.db2.gz CUKDGRVIAMHPLG-FUHWJXTLSA-N 3 2 306.413 3.079 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261672068 432441113 /nfs/dbraw/zinc/44/11/13/432441113.db2.gz LLFRAFQYKHRPEO-MFKMUULPSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261672068 432441116 /nfs/dbraw/zinc/44/11/16/432441116.db2.gz LLFRAFQYKHRPEO-MFKMUULPSA-N 2 2 316.779 3.125 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000261789881 432450012 /nfs/dbraw/zinc/45/00/12/432450012.db2.gz UXBXRVJOZRXTGZ-AWEZNQCLSA-N 2 2 303.233 3.173 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000261789881 432450014 /nfs/dbraw/zinc/45/00/14/432450014.db2.gz UXBXRVJOZRXTGZ-AWEZNQCLSA-N 2 2 303.233 3.173 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000261831632 432454260 /nfs/dbraw/zinc/45/42/60/432454260.db2.gz JDGFDPDOTGWBDL-WBMJQRKESA-N 2 2 308.853 3.298 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000261831632 432454264 /nfs/dbraw/zinc/45/42/64/432454264.db2.gz JDGFDPDOTGWBDL-WBMJQRKESA-N 2 2 308.853 3.298 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@H]1[NH3+] ZINC000262068652 432472312 /nfs/dbraw/zinc/47/23/12/432472312.db2.gz RUTHWZCBYBKECB-IAQYHMDHSA-N 2 2 306.356 3.220 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@H]1[NH3+] ZINC000262068652 432472323 /nfs/dbraw/zinc/47/23/23/432472323.db2.gz RUTHWZCBYBKECB-IAQYHMDHSA-N 2 2 306.356 3.220 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000262158070 432477022 /nfs/dbraw/zinc/47/70/22/432477022.db2.gz SDWWXIYUSQWSMZ-HNNXBMFYSA-N 2 2 319.449 3.202 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000262158070 432477026 /nfs/dbraw/zinc/47/70/26/432477026.db2.gz SDWWXIYUSQWSMZ-HNNXBMFYSA-N 2 2 319.449 3.202 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272346000 432485907 /nfs/dbraw/zinc/48/59/07/432485907.db2.gz PVAIRZLYOJEFOF-RYRKJORJSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346000 432485911 /nfs/dbraw/zinc/48/59/11/432485911.db2.gz PVAIRZLYOJEFOF-RYRKJORJSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2F)s1 ZINC000154284948 432488301 /nfs/dbraw/zinc/48/83/01/432488301.db2.gz GRFBMYAWDYOTHK-OLZOCXBDSA-N 2 2 322.449 3.127 20 0 DGADLP C[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000262524069 432489969 /nfs/dbraw/zinc/48/99/69/432489969.db2.gz OQEQVRQBKKQINF-INIZCTEOSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000262524069 432489972 /nfs/dbraw/zinc/48/99/72/432489972.db2.gz OQEQVRQBKKQINF-INIZCTEOSA-N 2 2 303.381 3.055 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635530 432511794 /nfs/dbraw/zinc/51/17/94/432511794.db2.gz YRDAVNBTDGVMAN-ZYHUDNBSSA-N 2 2 302.340 3.172 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261929943 432462423 /nfs/dbraw/zinc/46/24/23/432462423.db2.gz STFSOALQIYRBHJ-VQIMIIECSA-N 2 2 310.441 3.133 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261954906 432463672 /nfs/dbraw/zinc/46/36/72/432463672.db2.gz GOQSHHAFLSQDCO-HNNXBMFYSA-N 2 2 316.779 3.127 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261954906 432463677 /nfs/dbraw/zinc/46/36/77/432463677.db2.gz GOQSHHAFLSQDCO-HNNXBMFYSA-N 2 2 316.779 3.127 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000154010332 432465403 /nfs/dbraw/zinc/46/54/03/432465403.db2.gz NOILMIKCPNHQAU-GOSISDBHSA-N 2 2 319.493 3.189 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420710 432549915 /nfs/dbraw/zinc/54/99/15/432549915.db2.gz SUFNOGPALKKLIP-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420710 432549920 /nfs/dbraw/zinc/54/99/20/432549920.db2.gz SUFNOGPALKKLIP-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420710 432549923 /nfs/dbraw/zinc/54/99/23/432549923.db2.gz SUFNOGPALKKLIP-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420710 432549929 /nfs/dbraw/zinc/54/99/29/432549929.db2.gz SUFNOGPALKKLIP-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccnc1 ZINC000176815044 432555587 /nfs/dbraw/zinc/55/55/87/432555587.db2.gz QURPKPWYKFDMDO-KRWDZBQOSA-N 2 2 317.477 3.015 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000273154107 432558860 /nfs/dbraw/zinc/55/88/60/432558860.db2.gz ADWOIUVXNSJBMA-LBPRGKRZSA-N 2 2 318.396 3.117 20 0 DGADLP CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000176706665 432545344 /nfs/dbraw/zinc/54/53/44/432545344.db2.gz BVYAYZUFYQBWQT-UHFFFAOYSA-N 2 2 304.438 3.037 20 0 DGADLP CC[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1nccs1 ZINC000177267711 432605822 /nfs/dbraw/zinc/60/58/22/432605822.db2.gz CJHOARFGCQQXRJ-INIZCTEOSA-N 2 2 313.430 3.139 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000156750093 432606259 /nfs/dbraw/zinc/60/62/59/432606259.db2.gz YMZZJZZLFLTGMV-AIANPOQGSA-N 2 2 302.462 3.402 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000156750093 432606264 /nfs/dbraw/zinc/60/62/64/432606264.db2.gz YMZZJZZLFLTGMV-AIANPOQGSA-N 2 2 302.462 3.402 20 0 DGADLP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155686637 432568037 /nfs/dbraw/zinc/56/80/37/432568037.db2.gz XJBXDCGMMRFDPO-REMYHPOOSA-N 2 2 313.445 3.449 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186221087 432571063 /nfs/dbraw/zinc/57/10/63/432571063.db2.gz LQPKMQGFUBXSLD-HNNXBMFYSA-N 2 2 303.381 3.127 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186221087 432571067 /nfs/dbraw/zinc/57/10/67/432571067.db2.gz LQPKMQGFUBXSLD-HNNXBMFYSA-N 2 2 303.381 3.127 20 0 DGADLP CCO[C@@H](CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000155754313 432571265 /nfs/dbraw/zinc/57/12/65/432571265.db2.gz IAZVKCJMVNCNEW-IBGZPJMESA-N 2 2 319.493 3.087 20 0 DGADLP CCSc1cccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000186227658 432571637 /nfs/dbraw/zinc/57/16/37/432571637.db2.gz HRPKLVKFHHJASU-UHFFFAOYSA-N 2 2 322.518 3.077 20 0 DGADLP CCSc1cccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000186227658 432571640 /nfs/dbraw/zinc/57/16/40/432571640.db2.gz HRPKLVKFHHJASU-UHFFFAOYSA-N 2 2 322.518 3.077 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000155966682 432584122 /nfs/dbraw/zinc/58/41/22/432584122.db2.gz USQLCOARJHFGQG-ROUUACIJSA-N 2 2 315.505 3.365 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000155966682 432584126 /nfs/dbraw/zinc/58/41/26/432584126.db2.gz USQLCOARJHFGQG-ROUUACIJSA-N 2 2 315.505 3.365 20 0 DGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1nc(C(F)(F)F)cs1 ZINC000273356687 432589295 /nfs/dbraw/zinc/58/92/95/432589295.db2.gz ZLWGFXCIOFTGOF-SNVBAGLBSA-N 2 2 318.368 3.408 20 0 DGADLP CC[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273428915 432596432 /nfs/dbraw/zinc/59/64/32/432596432.db2.gz KSSLVTQVSBUHFD-NSHDSACASA-N 2 2 310.239 3.336 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000156557787 432599672 /nfs/dbraw/zinc/59/96/72/432599672.db2.gz IMSQBBPIAAQTOE-DZGCQCFKSA-N 2 2 315.461 3.051 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000156557787 432599676 /nfs/dbraw/zinc/59/96/76/432599676.db2.gz IMSQBBPIAAQTOE-DZGCQCFKSA-N 2 2 315.461 3.051 20 0 DGADLP C[N@H+](CCC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261120 432603561 /nfs/dbraw/zinc/60/35/61/432603561.db2.gz MXFRVEJGLOGATG-UHFFFAOYSA-N 2 2 303.494 3.457 20 0 DGADLP C[N@@H+](CCC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261120 432603565 /nfs/dbraw/zinc/60/35/65/432603565.db2.gz MXFRVEJGLOGATG-UHFFFAOYSA-N 2 2 303.494 3.457 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000157413218 432620369 /nfs/dbraw/zinc/62/03/69/432620369.db2.gz RZBYUZFNGJOAQM-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000157413218 432620371 /nfs/dbraw/zinc/62/03/71/432620371.db2.gz RZBYUZFNGJOAQM-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C2CC2)cc1 ZINC000195600403 432629055 /nfs/dbraw/zinc/62/90/55/432629055.db2.gz KOTZLNKOKVLKOJ-IBGZPJMESA-N 2 2 302.462 3.468 20 0 DGADLP c1ccc(CCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187024788 432642794 /nfs/dbraw/zinc/64/27/94/432642794.db2.gz JESJBIPJNRWTNV-HXUWFJFHSA-N 2 2 316.489 3.054 20 0 DGADLP c1ccc(CCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187024788 432642797 /nfs/dbraw/zinc/64/27/97/432642797.db2.gz JESJBIPJNRWTNV-HXUWFJFHSA-N 2 2 316.489 3.054 20 0 DGADLP C[NH+](C)C1(CN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000275587118 282043701 /nfs/dbraw/zinc/04/37/01/282043701.db2.gz CVMXBOPNDPLOMC-QGZVFWFLSA-N 2 2 312.461 3.353 20 0 DGADLP CCc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000159049219 432669241 /nfs/dbraw/zinc/66/92/41/432669241.db2.gz VZCGIQYJZKKAEJ-HNNXBMFYSA-N 2 2 320.481 3.109 20 0 DGADLP CCc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000159049219 432669246 /nfs/dbraw/zinc/66/92/46/432669246.db2.gz VZCGIQYJZKKAEJ-HNNXBMFYSA-N 2 2 320.481 3.109 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577400 432663861 /nfs/dbraw/zinc/66/38/61/432663861.db2.gz WUDHVXHFEGYXDD-RISCZKNCSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577400 432663866 /nfs/dbraw/zinc/66/38/66/432663866.db2.gz WUDHVXHFEGYXDD-RISCZKNCSA-N 2 2 302.340 3.287 20 0 DGADLP CCc1c[nH+]ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000265166096 432669956 /nfs/dbraw/zinc/66/99/56/432669956.db2.gz CSDHXTBVDKQNNY-SFHVURJKSA-N 2 2 323.440 3.495 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccoc1 ZINC000178353755 432726264 /nfs/dbraw/zinc/72/62/64/432726264.db2.gz YYZFVOKMOCFSHN-INIZCTEOSA-N 2 2 306.450 3.213 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000188146834 432707235 /nfs/dbraw/zinc/70/72/35/432707235.db2.gz DOSISSGXSRUBIV-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000188146834 432707237 /nfs/dbraw/zinc/70/72/37/432707237.db2.gz DOSISSGXSRUBIV-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccsc1 ZINC000178207131 432707778 /nfs/dbraw/zinc/70/77/78/432707778.db2.gz PZHBKNUVHDRMCN-OAHLLOKOSA-N 2 2 316.470 3.431 20 0 DGADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274817050 432712281 /nfs/dbraw/zinc/71/22/81/432712281.db2.gz WWEUCAMZZRNNSE-MSOLQXFVSA-N 2 2 317.477 3.234 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@@H+]1C ZINC000178298104 432716701 /nfs/dbraw/zinc/71/67/01/432716701.db2.gz ATXFOVLUTGGONV-DOTOQJQBSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@H+]1C ZINC000178298104 432716702 /nfs/dbraw/zinc/71/67/02/432716702.db2.gz ATXFOVLUTGGONV-DOTOQJQBSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912970 432716801 /nfs/dbraw/zinc/71/68/01/432716801.db2.gz PXVHSBXMGQUACD-JGVFFNPUSA-N 2 2 323.687 3.333 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912970 432716804 /nfs/dbraw/zinc/71/68/04/432716804.db2.gz PXVHSBXMGQUACD-JGVFFNPUSA-N 2 2 323.687 3.333 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912964 432717167 /nfs/dbraw/zinc/71/71/67/432717167.db2.gz PXVHSBXMGQUACD-HTQZYQBOSA-N 2 2 323.687 3.333 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912964 432717170 /nfs/dbraw/zinc/71/71/70/432717170.db2.gz PXVHSBXMGQUACD-HTQZYQBOSA-N 2 2 323.687 3.333 20 0 DGADLP Brc1cccc(C2([NH2+]CCn3cc[nH+]c3)CCC2)c1 ZINC000131849614 292664723 /nfs/dbraw/zinc/66/47/23/292664723.db2.gz GZPMUACBTBPPOV-UHFFFAOYSA-N 2 2 320.234 3.315 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000236589326 432750025 /nfs/dbraw/zinc/75/00/25/432750025.db2.gz MPNJKIFKPZCSIO-GOSISDBHSA-N 2 2 324.424 3.170 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000236589326 432750028 /nfs/dbraw/zinc/75/00/28/432750028.db2.gz MPNJKIFKPZCSIO-GOSISDBHSA-N 2 2 324.424 3.170 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCS2 ZINC000276168926 432778873 /nfs/dbraw/zinc/77/88/73/432778873.db2.gz SDAROMPSLPBCHP-IUODEOHRSA-N 2 2 303.431 3.107 20 0 DGADLP Clc1ccc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cn2c1 ZINC000266707017 432780859 /nfs/dbraw/zinc/78/08/59/432780859.db2.gz DTNPQJFMEYTJSY-UHFFFAOYSA-N 2 2 315.808 3.090 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3ccc(OCC)cc32)CC1 ZINC000178393548 432730845 /nfs/dbraw/zinc/73/08/45/432730845.db2.gz RINHYMKCUYSACN-SFHVURJKSA-N 2 2 318.461 3.373 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(Br)c2)CC1 ZINC000277075725 432828913 /nfs/dbraw/zinc/82/89/13/432828913.db2.gz DZPZRKXZXINANO-HNNXBMFYSA-N 2 2 311.267 3.365 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC000277075725 432828916 /nfs/dbraw/zinc/82/89/16/432828916.db2.gz DZPZRKXZXINANO-HNNXBMFYSA-N 2 2 311.267 3.365 20 0 DGADLP Clc1c[nH+]ccc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000267292218 432829348 /nfs/dbraw/zinc/82/93/48/432829348.db2.gz ROJUCKDYDDQDIQ-UHFFFAOYSA-N 2 2 317.820 3.179 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277283234 432834063 /nfs/dbraw/zinc/83/40/63/432834063.db2.gz SLNYHZKHHHQJGF-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277283234 432834065 /nfs/dbraw/zinc/83/40/65/432834065.db2.gz SLNYHZKHHHQJGF-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP FC(F)Oc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266787446 432788544 /nfs/dbraw/zinc/78/85/44/432788544.db2.gz WFWNQCOPAPLHEG-UHFFFAOYSA-N 2 2 307.344 3.391 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000237573599 432792801 /nfs/dbraw/zinc/79/28/01/432792801.db2.gz JGOGVMALYDFMRC-TZMCWYRMSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Br ZINC000237573599 432792804 /nfs/dbraw/zinc/79/28/04/432792804.db2.gz JGOGVMALYDFMRC-TZMCWYRMSA-N 2 2 323.278 3.472 20 0 DGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161863179 432801998 /nfs/dbraw/zinc/80/19/98/432801998.db2.gz SIDKYKITGPGWGP-IBGZPJMESA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161863179 432802010 /nfs/dbraw/zinc/80/20/10/432802010.db2.gz SIDKYKITGPGWGP-IBGZPJMESA-N 3 2 315.505 3.067 20 0 DGADLP Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000162952458 432838885 /nfs/dbraw/zinc/83/88/85/432838885.db2.gz CYOXGDWKGXAYDC-UHFFFAOYSA-N 2 2 316.368 3.131 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238128084 432813677 /nfs/dbraw/zinc/81/36/77/432813677.db2.gz GFXWMJLENSVHRA-AWEZNQCLSA-N 2 2 324.428 3.159 20 0 DGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245738763 432859753 /nfs/dbraw/zinc/85/97/53/432859753.db2.gz FYTMBWBNOHMKQR-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245738763 432859756 /nfs/dbraw/zinc/85/97/56/432859756.db2.gz FYTMBWBNOHMKQR-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000245738763 432859758 /nfs/dbraw/zinc/85/97/58/432859758.db2.gz FYTMBWBNOHMKQR-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000245738763 432859760 /nfs/dbraw/zinc/85/97/60/432859760.db2.gz FYTMBWBNOHMKQR-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Clc1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268302407 432862483 /nfs/dbraw/zinc/86/24/83/432862483.db2.gz HLANCVBRUNTMQO-CYBMUJFWSA-N 2 2 305.809 3.322 20 0 DGADLP Clc1cccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268302407 432862485 /nfs/dbraw/zinc/86/24/85/432862485.db2.gz HLANCVBRUNTMQO-CYBMUJFWSA-N 2 2 305.809 3.322 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000296200129 432882313 /nfs/dbraw/zinc/88/23/13/432882313.db2.gz YYBAXIKBNLKZSP-NUEKZKHPSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000296200129 432882316 /nfs/dbraw/zinc/88/23/16/432882316.db2.gz YYBAXIKBNLKZSP-NUEKZKHPSA-N 2 2 305.853 3.329 20 0 DGADLP C[NH+]1CCC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000278412970 432894445 /nfs/dbraw/zinc/89/44/45/432894445.db2.gz HUUOHHVIQWKYSK-UHFFFAOYSA-N 2 2 310.445 3.393 20 0 DGADLP O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330145038 432894608 /nfs/dbraw/zinc/89/46/08/432894608.db2.gz ZZGAQERJYVQFCX-AEFFLSMTSA-N 2 2 323.396 3.138 20 0 DGADLP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330145038 432894609 /nfs/dbraw/zinc/89/46/09/432894609.db2.gz ZZGAQERJYVQFCX-AEFFLSMTSA-N 2 2 323.396 3.138 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)CC[N@@H+]1C ZINC000245569269 432846296 /nfs/dbraw/zinc/84/62/96/432846296.db2.gz ALNZXPODBGRDTB-LSBZLQRGSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)CC[N@H+]1C ZINC000245569269 432846297 /nfs/dbraw/zinc/84/62/97/432846297.db2.gz ALNZXPODBGRDTB-LSBZLQRGSA-N 2 2 313.420 3.382 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000289152667 432927727 /nfs/dbraw/zinc/92/77/27/432927727.db2.gz QKBVEIOZLJPPSB-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000289152667 432927729 /nfs/dbraw/zinc/92/77/29/432927729.db2.gz QKBVEIOZLJPPSB-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP Cc1[nH+]cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1-c1ccccc1 ZINC000289186205 432931013 /nfs/dbraw/zinc/93/10/13/432931013.db2.gz ANYURTLWVBGRIY-APWZRJJASA-N 2 2 324.472 3.239 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)Nc1[nH+]cnc2[nH]ccc21)[NH+](C)C ZINC000343755565 292688951 /nfs/dbraw/zinc/68/89/51/292688951.db2.gz DSWAGQZCZMSNPT-BBRMVZONSA-N 2 2 309.417 3.370 20 0 DGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1OC ZINC000289235736 432936676 /nfs/dbraw/zinc/93/66/76/432936676.db2.gz KPMFNJRPIOMNDI-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000289265361 432939249 /nfs/dbraw/zinc/93/92/49/432939249.db2.gz MZJPUNRVYJJPIA-QGZVFWFLSA-N 2 2 303.475 3.277 20 0 DGADLP Cc1cnc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000289305340 432942734 /nfs/dbraw/zinc/94/27/34/432942734.db2.gz APOXXAOFIVTKSV-UHFFFAOYSA-N 2 2 303.431 3.198 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440391 432907845 /nfs/dbraw/zinc/90/78/45/432907845.db2.gz MPJYRVCSSDBDRW-MNEFBYGVSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440391 432907846 /nfs/dbraw/zinc/90/78/46/432907846.db2.gz MPJYRVCSSDBDRW-MNEFBYGVSA-N 2 2 324.472 3.389 20 0 DGADLP Clc1nccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000278859547 432909673 /nfs/dbraw/zinc/90/96/73/432909673.db2.gz FMUHYLHSTNFNEM-UHFFFAOYSA-N 2 2 311.216 3.422 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)cc2[nH+]1 ZINC000332095747 432973526 /nfs/dbraw/zinc/97/35/26/432973526.db2.gz NZEQCLSQCFCCHR-SRVKXCTJSA-N 2 2 300.406 3.071 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349599866 432980338 /nfs/dbraw/zinc/98/03/38/432980338.db2.gz PIVKTPUYRRRREH-GFCCVEGCSA-N 2 2 301.887 3.254 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349599866 432980342 /nfs/dbraw/zinc/98/03/42/432980342.db2.gz PIVKTPUYRRRREH-GFCCVEGCSA-N 2 2 301.887 3.254 20 0 DGADLP Fc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297354522 432993959 /nfs/dbraw/zinc/99/39/59/432993959.db2.gz FJBIVSXDCOWIGT-QGZVFWFLSA-N 2 2 304.409 3.256 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000290112399 432994994 /nfs/dbraw/zinc/99/49/94/432994994.db2.gz YNZCGVBZEFUGSR-IRXDYDNUSA-N 2 2 311.385 3.201 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000290136921 432998075 /nfs/dbraw/zinc/99/80/75/432998075.db2.gz ZUGVEUZDCRRXJP-MAUKXSAKSA-N 2 2 315.461 3.216 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000290136921 432998077 /nfs/dbraw/zinc/99/80/77/432998077.db2.gz ZUGVEUZDCRRXJP-MAUKXSAKSA-N 2 2 315.461 3.216 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H](C)C1 ZINC000349972900 433044746 /nfs/dbraw/zinc/04/47/46/433044746.db2.gz UNPDZIIFMTYSHC-GPMSIDNRSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@H]1C ZINC000349756931 433003185 /nfs/dbraw/zinc/00/31/85/433003185.db2.gz JDUCSCHBWRTTFY-GPMSIDNRSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccon1 ZINC000349829160 433017483 /nfs/dbraw/zinc/01/74/83/433017483.db2.gz BYVMJQVJEWZJQS-UONOGXRCSA-N 2 2 303.406 3.027 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@@H+]1Cc1ccccc1 ZINC000280276142 433026612 /nfs/dbraw/zinc/02/66/12/433026612.db2.gz YFEMLCYQLJGKKU-AYBZRNKSSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@H+]1Cc1ccccc1 ZINC000280276142 433026619 /nfs/dbraw/zinc/02/66/19/433026619.db2.gz YFEMLCYQLJGKKU-AYBZRNKSSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@@H+]1Cc1ccccc1 ZINC000280276143 433026896 /nfs/dbraw/zinc/02/68/96/433026896.db2.gz YFEMLCYQLJGKKU-HHXXYDBFSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@H+]1Cc1ccccc1 ZINC000280276143 433026901 /nfs/dbraw/zinc/02/69/01/433026901.db2.gz YFEMLCYQLJGKKU-HHXXYDBFSA-N 2 2 324.472 3.050 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000341342701 433034318 /nfs/dbraw/zinc/03/43/18/433034318.db2.gz MGJYTLKJVBEKLT-TZMCWYRMSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000341342701 433034320 /nfs/dbraw/zinc/03/43/20/433034320.db2.gz MGJYTLKJVBEKLT-TZMCWYRMSA-N 2 2 308.853 3.454 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000349959246 433041000 /nfs/dbraw/zinc/04/10/00/433041000.db2.gz CZLZVQLGAHKGLN-JFIYKMOQSA-N 2 2 305.466 3.219 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000349959246 433041004 /nfs/dbraw/zinc/04/10/04/433041004.db2.gz CZLZVQLGAHKGLN-JFIYKMOQSA-N 2 2 305.466 3.219 20 0 DGADLP Cc1cc(Br)c(C[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000419743798 433067363 /nfs/dbraw/zinc/06/73/63/433067363.db2.gz HNSNLVXMYVTKPW-SECBINFHSA-N 2 2 305.285 3.106 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453294902 433069601 /nfs/dbraw/zinc/06/96/01/433069601.db2.gz RHIIXCUFYTWMGE-HKUYNNGSSA-N 2 2 316.489 3.117 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453294902 433069608 /nfs/dbraw/zinc/06/96/08/433069608.db2.gz RHIIXCUFYTWMGE-HKUYNNGSSA-N 2 2 316.489 3.117 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299266 433072161 /nfs/dbraw/zinc/07/21/61/433072161.db2.gz XBIHYYFBSJHHKF-UXHICEINSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299266 433072168 /nfs/dbraw/zinc/07/21/68/433072168.db2.gz XBIHYYFBSJHHKF-UXHICEINSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1cc(N2CC[NH+](CC3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000341464568 433075612 /nfs/dbraw/zinc/07/56/12/433075612.db2.gz RLXVTOJXVPMTTP-UHFFFAOYSA-N 2 2 314.477 3.365 20 0 DGADLP Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000341483962 433086849 /nfs/dbraw/zinc/08/68/49/433086849.db2.gz KEDBJZYXNDGJNP-OAHLLOKOSA-N 2 2 302.466 3.729 20 0 DGADLP Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000341483962 433086858 /nfs/dbraw/zinc/08/68/58/433086858.db2.gz KEDBJZYXNDGJNP-OAHLLOKOSA-N 2 2 302.466 3.729 20 0 DGADLP C[NH+](C)C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000350124560 433087101 /nfs/dbraw/zinc/08/71/01/433087101.db2.gz BDARNCNTYSQNLI-FQEVSTJZSA-N 2 2 324.468 3.081 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000373107216 433091468 /nfs/dbraw/zinc/09/14/68/433091468.db2.gz QQSWGYWXMZLVEW-SFHVURJKSA-N 2 2 313.445 3.206 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000373107216 433091478 /nfs/dbraw/zinc/09/14/78/433091478.db2.gz QQSWGYWXMZLVEW-SFHVURJKSA-N 2 2 313.445 3.206 20 0 DGADLP FC(F)(F)c1cncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000361312541 433096814 /nfs/dbraw/zinc/09/68/14/433096814.db2.gz GMYAJYWEFXYLKR-OAHLLOKOSA-N 2 2 323.318 3.149 20 0 DGADLP FC(F)(F)c1cncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000361312541 433096825 /nfs/dbraw/zinc/09/68/25/433096825.db2.gz GMYAJYWEFXYLKR-OAHLLOKOSA-N 2 2 323.318 3.149 20 0 DGADLP COc1ccc(O[C@H](C)C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000290562767 433096920 /nfs/dbraw/zinc/09/69/20/433096920.db2.gz ZTRJAZAOTORBFP-MRXNPFEDSA-N 2 2 314.429 3.388 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000290655730 433128784 /nfs/dbraw/zinc/12/87/84/433128784.db2.gz KJSCEGDYVLHNHR-YSIASYRMSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000290655730 433128794 /nfs/dbraw/zinc/12/87/94/433128794.db2.gz KJSCEGDYVLHNHR-YSIASYRMSA-N 2 2 324.472 3.108 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@@]3(CC[NH2+]C3)C2)nc(C(C)(C)C)[nH+]1 ZINC000420226390 433130654 /nfs/dbraw/zinc/13/06/54/433130654.db2.gz GPRJUIVEYPVYTN-LJQANCHMSA-N 2 2 316.493 3.261 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388652 433142815 /nfs/dbraw/zinc/14/28/15/433142815.db2.gz BVKPZIMKIRJJPP-PKOBYXMFSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388652 433142823 /nfs/dbraw/zinc/14/28/23/433142823.db2.gz BVKPZIMKIRJJPP-PKOBYXMFSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453388652 433142830 /nfs/dbraw/zinc/14/28/30/433142830.db2.gz BVKPZIMKIRJJPP-PKOBYXMFSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388652 433142834 /nfs/dbraw/zinc/14/28/34/433142834.db2.gz BVKPZIMKIRJJPP-PKOBYXMFSA-N 3 2 315.505 3.286 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000361382999 433143441 /nfs/dbraw/zinc/14/34/41/433143441.db2.gz YVKQXYKAEPETOV-NVXWUHKLSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000361382999 433143447 /nfs/dbraw/zinc/14/34/47/433143447.db2.gz YVKQXYKAEPETOV-NVXWUHKLSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000361390432 433146020 /nfs/dbraw/zinc/14/60/20/433146020.db2.gz MCJODTSRZVBRCN-OALUTQOASA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000361390432 433146028 /nfs/dbraw/zinc/14/60/28/433146028.db2.gz MCJODTSRZVBRCN-OALUTQOASA-N 2 2 315.461 3.360 20 0 DGADLP CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000420296858 433150875 /nfs/dbraw/zinc/15/08/75/433150875.db2.gz CEYFKWWXVGAHMP-OAHLLOKOSA-N 2 2 302.462 3.127 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420291290 433150939 /nfs/dbraw/zinc/15/09/39/433150939.db2.gz JZXSCVBYZZJOFT-LLVKDONJSA-N 2 2 323.412 3.130 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420291290 433150944 /nfs/dbraw/zinc/15/09/44/433150944.db2.gz JZXSCVBYZZJOFT-LLVKDONJSA-N 2 2 323.412 3.130 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000420306573 433153377 /nfs/dbraw/zinc/15/33/77/433153377.db2.gz LFWLCJDSSOTPDC-KRWDZBQOSA-N 2 2 308.853 3.313 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000420306573 433153388 /nfs/dbraw/zinc/15/33/88/433153388.db2.gz LFWLCJDSSOTPDC-KRWDZBQOSA-N 2 2 308.853 3.313 20 0 DGADLP CO[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)cc1 ZINC000354473261 433102235 /nfs/dbraw/zinc/10/22/35/433102235.db2.gz XNYJCOIFTSABOT-SFHVURJKSA-N 2 2 302.393 3.439 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)c[nH+]1 ZINC000354473897 433103787 /nfs/dbraw/zinc/10/37/87/433103787.db2.gz ZALOEUOQTBIIPY-PXNSSMCTSA-N 2 2 312.457 3.467 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(CSC(F)F)o1 ZINC000290579138 433105009 /nfs/dbraw/zinc/10/50/09/433105009.db2.gz UKGWXAQBJWXTTA-UHFFFAOYSA-N 2 2 315.389 3.454 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(CSC(F)F)o1 ZINC000290579138 433105023 /nfs/dbraw/zinc/10/50/23/433105023.db2.gz UKGWXAQBJWXTTA-UHFFFAOYSA-N 2 2 315.389 3.454 20 0 DGADLP CC(C)c1nc(N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420179157 433119607 /nfs/dbraw/zinc/11/96/07/433119607.db2.gz BPTQQAKMBHHJBE-KGLIPLIRSA-N 2 2 304.482 3.461 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446853252 433119920 /nfs/dbraw/zinc/11/99/20/433119920.db2.gz OOWLUJFZWWHOFP-INIZCTEOSA-N 2 2 304.478 3.425 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446853252 433119923 /nfs/dbraw/zinc/11/99/23/433119923.db2.gz OOWLUJFZWWHOFP-INIZCTEOSA-N 2 2 304.478 3.425 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000354568032 433155807 /nfs/dbraw/zinc/15/58/07/433155807.db2.gz KDDMATCQTIQUPC-KURKYZTESA-N 2 2 300.446 3.260 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000420316886 433161193 /nfs/dbraw/zinc/16/11/93/433161193.db2.gz NZAGTMTYENKCMC-CABCVRRESA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000420316886 433161199 /nfs/dbraw/zinc/16/11/99/433161199.db2.gz NZAGTMTYENKCMC-CABCVRRESA-N 2 2 308.853 3.169 20 0 DGADLP CC1(C)CCC[N@@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000453406671 433164346 /nfs/dbraw/zinc/16/43/46/433164346.db2.gz UCDXJECCMWACJT-MRXNPFEDSA-N 2 2 316.424 3.102 20 0 DGADLP CC1(C)CCC[N@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000453406671 433164352 /nfs/dbraw/zinc/16/43/52/433164352.db2.gz UCDXJECCMWACJT-MRXNPFEDSA-N 2 2 316.424 3.102 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000354582560 433164630 /nfs/dbraw/zinc/16/46/30/433164630.db2.gz HPAFULXFTWHQFM-HUUCEWRRSA-N 2 2 308.466 3.127 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000420329414 433164978 /nfs/dbraw/zinc/16/49/78/433164978.db2.gz GSAWYPRWJSQNSN-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000420329414 433164982 /nfs/dbraw/zinc/16/49/82/433164982.db2.gz GSAWYPRWJSQNSN-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP Cc1cscc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000447131917 433165228 /nfs/dbraw/zinc/16/52/28/433165228.db2.gz ILDJZGDLKPBQEC-UHFFFAOYSA-N 2 2 322.397 3.193 20 0 DGADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425327629 433165888 /nfs/dbraw/zinc/16/58/88/433165888.db2.gz PTLPRPKZPGNYDW-CYBMUJFWSA-N 2 2 312.417 3.425 20 0 DGADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425327629 433165895 /nfs/dbraw/zinc/16/58/95/433165895.db2.gz PTLPRPKZPGNYDW-CYBMUJFWSA-N 2 2 312.417 3.425 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@@H+]1C1CC1 ZINC000453412418 433166886 /nfs/dbraw/zinc/16/68/86/433166886.db2.gz HTFSOKHTOGCQCZ-IXYNUQLISA-N 2 2 306.475 3.183 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@H+]1C1CC1 ZINC000453412418 433166893 /nfs/dbraw/zinc/16/68/93/433166893.db2.gz HTFSOKHTOGCQCZ-IXYNUQLISA-N 2 2 306.475 3.183 20 0 DGADLP Cc1ccc([C@@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)c(C)c1 ZINC000425330949 433168624 /nfs/dbraw/zinc/16/86/24/433168624.db2.gz BHQKIPHUDINSSK-MRXNPFEDSA-N 2 2 312.461 3.092 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1c1ccccc1 ZINC000425340309 433179319 /nfs/dbraw/zinc/17/93/19/433179319.db2.gz VKVPTBNNSLAKIH-CRAIPNDOSA-N 2 2 312.461 3.112 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1c1ccccc1 ZINC000425340309 433179328 /nfs/dbraw/zinc/17/93/28/433179328.db2.gz VKVPTBNNSLAKIH-CRAIPNDOSA-N 2 2 312.461 3.112 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453430103 433179864 /nfs/dbraw/zinc/17/98/64/433179864.db2.gz QZHPKLBNRZBANY-NZSAHSFTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453430103 433179875 /nfs/dbraw/zinc/17/98/75/433179875.db2.gz QZHPKLBNRZBANY-NZSAHSFTSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000420364544 433180980 /nfs/dbraw/zinc/18/09/80/433180980.db2.gz REFWJMHYYOOHHP-HNNXBMFYSA-N 2 2 320.412 3.232 20 0 DGADLP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000420364544 433180991 /nfs/dbraw/zinc/18/09/91/433180991.db2.gz REFWJMHYYOOHHP-HNNXBMFYSA-N 2 2 320.412 3.232 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420363949 433181817 /nfs/dbraw/zinc/18/18/17/433181817.db2.gz OMDJPVJEMQLPHO-HNNXBMFYSA-N 2 2 307.825 3.458 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363375 433183676 /nfs/dbraw/zinc/18/36/76/433183676.db2.gz HYFGTQHKSHWVDS-BEFAXECRSA-N 2 2 311.429 3.478 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363375 433183680 /nfs/dbraw/zinc/18/36/80/433183680.db2.gz HYFGTQHKSHWVDS-BEFAXECRSA-N 2 2 311.429 3.478 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719364 433185920 /nfs/dbraw/zinc/18/59/20/433185920.db2.gz RYQJKAJFFWLJBJ-NRSFXHEJSA-N 2 2 302.462 3.053 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719364 433185927 /nfs/dbraw/zinc/18/59/27/433185927.db2.gz RYQJKAJFFWLJBJ-NRSFXHEJSA-N 2 2 302.462 3.053 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)C1CCCCC1 ZINC000420371793 433185933 /nfs/dbraw/zinc/18/59/33/433185933.db2.gz PRIHVSTWSAFZFR-CQSZACIVSA-N 2 2 322.403 3.429 20 0 DGADLP CC1(C)C[C@@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000453439684 433188104 /nfs/dbraw/zinc/18/81/04/433188104.db2.gz VWYCJSDJPAYSSC-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000453439684 433188110 /nfs/dbraw/zinc/18/81/10/433188110.db2.gz VWYCJSDJPAYSSC-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cc(F)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC000425349272 433189910 /nfs/dbraw/zinc/18/99/10/433189910.db2.gz KXFWCWGTBNXGCW-AWEZNQCLSA-N 2 2 319.399 3.461 20 0 DGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC000425349272 433189914 /nfs/dbraw/zinc/18/99/14/433189914.db2.gz KXFWCWGTBNXGCW-AWEZNQCLSA-N 2 2 319.399 3.461 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640796 433190774 /nfs/dbraw/zinc/19/07/74/433190774.db2.gz XSFQGKXYVIXMGV-OXQOHEQNSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640796 433190783 /nfs/dbraw/zinc/19/07/83/433190783.db2.gz XSFQGKXYVIXMGV-OXQOHEQNSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c[nH+]1 ZINC000354635424 433192169 /nfs/dbraw/zinc/19/21/69/433192169.db2.gz QWZRNQXDKHDMFG-PGRDOPGGSA-N 2 2 316.470 3.032 20 0 DGADLP c1csc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420383781 433193819 /nfs/dbraw/zinc/19/38/19/433193819.db2.gz DOUOZCBAVURVBO-HIFRSBDPSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420383781 433193825 /nfs/dbraw/zinc/19/38/25/433193825.db2.gz DOUOZCBAVURVBO-HIFRSBDPSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000420382752 433194048 /nfs/dbraw/zinc/19/40/48/433194048.db2.gz ZZGOZLNIBSGNKK-XHBSWPGZSA-N 2 2 303.837 3.364 20 0 DGADLP c1ccc2sc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)nc2c1 ZINC000420399796 433195277 /nfs/dbraw/zinc/19/52/77/433195277.db2.gz OJJPBXPXIPSXMP-DZGCQCFKSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2sc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)nc2c1 ZINC000420399796 433195286 /nfs/dbraw/zinc/19/52/86/433195286.db2.gz OJJPBXPXIPSXMP-DZGCQCFKSA-N 2 2 301.459 3.260 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290876883 433197539 /nfs/dbraw/zinc/19/75/39/433197539.db2.gz KNYXNXZVUAPPFW-ROUUACIJSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290876883 433197547 /nfs/dbraw/zinc/19/75/47/433197547.db2.gz KNYXNXZVUAPPFW-ROUUACIJSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c[nH+]1 ZINC000354645983 433198294 /nfs/dbraw/zinc/19/82/94/433198294.db2.gz JVUJWLWABHITTO-GOSISDBHSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c[nH+]1 ZINC000354645983 433198303 /nfs/dbraw/zinc/19/83/03/433198303.db2.gz JVUJWLWABHITTO-GOSISDBHSA-N 2 2 318.461 3.376 20 0 DGADLP CCC[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(F)cc1F ZINC000420413927 433200868 /nfs/dbraw/zinc/20/08/68/433200868.db2.gz UCNIITLQFBULMJ-ZDUSSCGKSA-N 2 2 324.375 3.173 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000453589284 433217453 /nfs/dbraw/zinc/21/74/53/433217453.db2.gz MQPYVRAZYGMZJA-VIFPVBQESA-N 2 2 305.285 3.249 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3C[C@]4(CCCO4)[C@H]3C3CC3)c2)c[nH+]1 ZINC000354710719 433225860 /nfs/dbraw/zinc/22/58/60/433225860.db2.gz HJAXRTLAPFWEME-IAGOWNOFSA-N 2 2 315.442 3.077 20 0 DGADLP c1cn(-c2csc(C[N@H+]3C[C@]4(CCCO4)[C@H]3C3CC3)c2)c[nH+]1 ZINC000354710719 433225871 /nfs/dbraw/zinc/22/58/71/433225871.db2.gz HJAXRTLAPFWEME-IAGOWNOFSA-N 2 2 315.442 3.077 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccsc1Cl ZINC000361543142 433233074 /nfs/dbraw/zinc/23/30/74/433233074.db2.gz KWQWILJDYHILJA-HZSPNIEDSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccsc1Cl ZINC000361543142 433233084 /nfs/dbraw/zinc/23/30/84/433233084.db2.gz KWQWILJDYHILJA-HZSPNIEDSA-N 2 2 314.882 3.085 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](C(C)C)C3(CO)CCCC3)c[nH+]c12 ZINC000453610408 433233375 /nfs/dbraw/zinc/23/33/75/433233375.db2.gz HEGVRIWVILOVQJ-KRWDZBQOSA-N 2 2 315.461 3.310 20 0 DGADLP CC[N@H+](C[C@H](OC)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000425424520 433236072 /nfs/dbraw/zinc/23/60/72/433236072.db2.gz WTTYRELBNYOEKK-SFHVURJKSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](C[C@H](OC)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000425424520 433236084 /nfs/dbraw/zinc/23/60/84/433236084.db2.gz WTTYRELBNYOEKK-SFHVURJKSA-N 2 2 317.477 3.045 20 0 DGADLP C[C@@H]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000337502168 433237113 /nfs/dbraw/zinc/23/71/13/433237113.db2.gz BTJJPECIVIGROU-ZIAGYGMSSA-N 2 2 322.416 3.449 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447599634 433240354 /nfs/dbraw/zinc/24/03/54/433240354.db2.gz KFUOJUXMNZBLHW-QAPCUYQASA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447599634 433240358 /nfs/dbraw/zinc/24/03/58/433240358.db2.gz KFUOJUXMNZBLHW-QAPCUYQASA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447600511 433244625 /nfs/dbraw/zinc/24/46/25/433244625.db2.gz MMXRVLDGEYUPKC-QFBILLFUSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447600511 433244632 /nfs/dbraw/zinc/24/46/32/433244632.db2.gz MMXRVLDGEYUPKC-QFBILLFUSA-N 2 2 300.446 3.289 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1(CO)CCCC1 ZINC000453626106 433251761 /nfs/dbraw/zinc/25/17/61/433251761.db2.gz ZZPFOGHWGGEBHP-QGZVFWFLSA-N 2 2 301.434 3.001 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914608 433314534 /nfs/dbraw/zinc/31/45/34/433314534.db2.gz CKZUIIKZUUFAJA-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914608 433314542 /nfs/dbraw/zinc/31/45/42/433314542.db2.gz CKZUIIKZUUFAJA-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000291693900 433318482 /nfs/dbraw/zinc/31/84/82/433318482.db2.gz AAXGWMXOUMSROT-AWEZNQCLSA-N 2 2 311.385 3.345 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000350892846 433319704 /nfs/dbraw/zinc/31/97/04/433319704.db2.gz FBIRZIOTSJVNMV-GSEOLPGOSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000350892846 433319707 /nfs/dbraw/zinc/31/97/07/433319707.db2.gz FBIRZIOTSJVNMV-GSEOLPGOSA-N 2 2 316.489 3.038 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000374962077 433320981 /nfs/dbraw/zinc/32/09/81/433320981.db2.gz JOKGYGTVEOFISV-ZGXWSNOMSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000374962077 433320991 /nfs/dbraw/zinc/32/09/91/433320991.db2.gz JOKGYGTVEOFISV-ZGXWSNOMSA-N 2 2 321.553 3.161 20 0 DGADLP c1[nH]c(C[NH2+]C2CC[NH+](C3CCC3)CC2)nc1-c1ccccc1 ZINC000447831458 433294246 /nfs/dbraw/zinc/29/42/46/433294246.db2.gz NGSCMUUWMAZRIQ-UHFFFAOYSA-N 2 2 310.445 3.183 20 0 DGADLP C[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837936 433308324 /nfs/dbraw/zinc/30/83/24/433308324.db2.gz XWHUKNFUAKNHOA-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837936 433308333 /nfs/dbraw/zinc/30/83/33/433308333.db2.gz XWHUKNFUAKNHOA-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837936 433308339 /nfs/dbraw/zinc/30/83/39/433308339.db2.gz XWHUKNFUAKNHOA-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837936 433308346 /nfs/dbraw/zinc/30/83/46/433308346.db2.gz XWHUKNFUAKNHOA-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1 ZINC000420917924 433310984 /nfs/dbraw/zinc/31/09/84/433310984.db2.gz UQMRXTMULJCQJA-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1 ZINC000420917924 433310994 /nfs/dbraw/zinc/31/09/94/433310994.db2.gz UQMRXTMULJCQJA-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H](C[NH2+]Cc1csc(-c2ccc(F)cc2)n1)C[NH+](C)C ZINC000291781060 433349688 /nfs/dbraw/zinc/34/96/88/433349688.db2.gz UWBDYPHIXPSVBH-LBPRGKRZSA-N 2 2 307.438 3.237 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000299414441 433369924 /nfs/dbraw/zinc/36/99/24/433369924.db2.gz WHLDQUHEVGUIIK-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000299414441 433369934 /nfs/dbraw/zinc/36/99/34/433369934.db2.gz WHLDQUHEVGUIIK-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414441 433369944 /nfs/dbraw/zinc/36/99/44/433369944.db2.gz WHLDQUHEVGUIIK-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414441 433369954 /nfs/dbraw/zinc/36/99/54/433369954.db2.gz WHLDQUHEVGUIIK-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP CC[C@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883268 433334744 /nfs/dbraw/zinc/33/47/44/433334744.db2.gz NTTMMIRQLLUNRV-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883268 433334756 /nfs/dbraw/zinc/33/47/56/433334756.db2.gz NTTMMIRQLLUNRV-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883268 433334768 /nfs/dbraw/zinc/33/47/68/433334768.db2.gz NTTMMIRQLLUNRV-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883268 433334780 /nfs/dbraw/zinc/33/47/80/433334780.db2.gz NTTMMIRQLLUNRV-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159153 433428465 /nfs/dbraw/zinc/42/84/65/433428465.db2.gz YCSNTLYPDSEPFV-FUHWJXTLSA-N 2 2 324.472 3.002 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159153 433428472 /nfs/dbraw/zinc/42/84/72/433428472.db2.gz YCSNTLYPDSEPFV-FUHWJXTLSA-N 2 2 324.472 3.002 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ncc(Cl)n1C)[N@H+](C)Cc1ccccc1 ZINC000281810647 433388602 /nfs/dbraw/zinc/38/86/02/433388602.db2.gz WBGFFQOFJFWMBO-AWEZNQCLSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ncc(Cl)n1C)[N@@H+](C)Cc1ccccc1 ZINC000281810647 433388613 /nfs/dbraw/zinc/38/86/13/433388613.db2.gz WBGFFQOFJFWMBO-AWEZNQCLSA-N 2 2 320.868 3.074 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@H]1C[C@H]1C ZINC000414095111 433392539 /nfs/dbraw/zinc/39/25/39/433392539.db2.gz JKUHHVWXVAGEFU-IWCQGFGOSA-N 2 2 302.466 3.068 20 0 DGADLP CC(C)CO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000375266412 433403711 /nfs/dbraw/zinc/40/37/11/433403711.db2.gz FSMSPDZEPZUSFQ-HOTGVXAUSA-N 2 2 305.466 3.149 20 0 DGADLP CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000375266414 433403953 /nfs/dbraw/zinc/40/39/53/433403953.db2.gz FSMSPDZEPZUSFQ-JKSUJKDBSA-N 2 2 305.466 3.149 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000375281602 433405984 /nfs/dbraw/zinc/40/59/84/433405984.db2.gz NVRNTQDHILMLHO-KRWDZBQOSA-N 2 2 323.362 3.431 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000375281602 433405991 /nfs/dbraw/zinc/40/59/91/433405991.db2.gz NVRNTQDHILMLHO-KRWDZBQOSA-N 2 2 323.362 3.431 20 0 DGADLP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000351200279 433411557 /nfs/dbraw/zinc/41/15/57/433411557.db2.gz JEQYLXYEFIBFRH-CZUORRHYSA-N 2 2 307.825 3.292 20 0 DGADLP c1onc(Cc2ccccc2)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000339168890 433412776 /nfs/dbraw/zinc/41/27/76/433412776.db2.gz FTWOMAAHTOABNZ-UHFFFAOYSA-N 2 2 313.445 3.231 20 0 DGADLP CSCc1cnc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000339171624 433414159 /nfs/dbraw/zinc/41/41/59/433414159.db2.gz SGGWLXXGQUREII-CYBMUJFWSA-N 2 2 313.536 3.360 20 0 DGADLP CSCc1cnc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000339171624 433414168 /nfs/dbraw/zinc/41/41/68/433414168.db2.gz SGGWLXXGQUREII-CYBMUJFWSA-N 2 2 313.536 3.360 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1nc2ccccc2n1C ZINC000271631953 289938989 /nfs/dbraw/zinc/93/89/89/289938989.db2.gz CVRJXNMRCRAMAS-AWEZNQCLSA-N 2 2 312.461 3.241 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccn1 ZINC000158588197 292772115 /nfs/dbraw/zinc/77/21/15/292772115.db2.gz VZFXYBOAOZQXFM-MRXNPFEDSA-N 2 2 306.413 3.220 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877431 433435341 /nfs/dbraw/zinc/43/53/41/433435341.db2.gz MZHKALANUBCBIT-YJBOKZPZSA-N 2 2 316.470 3.036 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877431 433435348 /nfs/dbraw/zinc/43/53/48/433435348.db2.gz MZHKALANUBCBIT-YJBOKZPZSA-N 2 2 316.470 3.036 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170126 433436061 /nfs/dbraw/zinc/43/60/61/433436061.db2.gz BRHPLMWFELDSNN-OWYHZJEWSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170126 433436070 /nfs/dbraw/zinc/43/60/70/433436070.db2.gz BRHPLMWFELDSNN-OWYHZJEWSA-N 2 2 324.472 3.266 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@H](OC(C)C)C3(C)C)c[nH+]c12 ZINC000361916770 433450411 /nfs/dbraw/zinc/45/04/11/433450411.db2.gz OJOSFBZJYNGDSJ-CVEARBPZSA-N 2 2 301.434 3.324 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)c[nH+]c12 ZINC000361916772 433450641 /nfs/dbraw/zinc/45/06/41/433450641.db2.gz OJOSFBZJYNGDSJ-HOTGVXAUSA-N 2 2 301.434 3.324 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078765 433453489 /nfs/dbraw/zinc/45/34/89/433453489.db2.gz FLIZVVPXJVDAQO-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078765 433453502 /nfs/dbraw/zinc/45/35/02/433453502.db2.gz FLIZVVPXJVDAQO-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078765 433453515 /nfs/dbraw/zinc/45/35/15/433453515.db2.gz FLIZVVPXJVDAQO-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078765 433453522 /nfs/dbraw/zinc/45/35/22/433453522.db2.gz FLIZVVPXJVDAQO-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCCc3ccccc32)CCSC1 ZINC000361969336 433473350 /nfs/dbraw/zinc/47/33/50/433473350.db2.gz BAUAGQASUXPMIA-QZTJIDSGSA-N 2 2 304.503 3.481 20 0 DGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361968360 433474531 /nfs/dbraw/zinc/47/45/31/433474531.db2.gz PAQLXLVCEWQUNZ-JLZZUVOBSA-N 2 2 308.466 3.086 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CCSC1 ZINC000361972754 433475029 /nfs/dbraw/zinc/47/50/29/433475029.db2.gz UCWFBAKXCQJGHJ-CVEARBPZSA-N 2 2 310.894 3.354 20 0 DGADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)[nH]1 ZINC000355123179 433475263 /nfs/dbraw/zinc/47/52/63/433475263.db2.gz MZHKPGBKUSPHLN-GXTWGEPZSA-N 2 2 301.438 3.305 20 0 DGADLP CCc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000301353463 433517346 /nfs/dbraw/zinc/51/73/46/433517346.db2.gz NRWZPJUGUUKCGN-HNNXBMFYSA-N 2 2 300.406 3.189 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000339325838 433518429 /nfs/dbraw/zinc/51/84/29/433518429.db2.gz OYLJTYLNEDTKRJ-SJLPKXTDSA-N 2 2 318.461 3.424 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414325840 433541193 /nfs/dbraw/zinc/54/11/93/433541193.db2.gz MUFYNMZCPMJNLD-ZDUSSCGKSA-N 2 2 318.490 3.449 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@@H]12 ZINC000351480145 433520641 /nfs/dbraw/zinc/52/06/41/433520641.db2.gz TYTHRFLRMXOZFO-RAIGVLPGSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@@H]12 ZINC000351480145 433520653 /nfs/dbraw/zinc/52/06/53/433520653.db2.gz TYTHRFLRMXOZFO-RAIGVLPGSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]12 ZINC000351476478 433522170 /nfs/dbraw/zinc/52/21/70/433522170.db2.gz KNYJCXFSFBAUND-DJSGYFEHSA-N 2 2 317.433 3.118 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]12 ZINC000351476478 433522175 /nfs/dbraw/zinc/52/21/75/433522175.db2.gz KNYJCXFSFBAUND-DJSGYFEHSA-N 2 2 317.433 3.118 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488788 433527542 /nfs/dbraw/zinc/52/75/42/433527542.db2.gz GOCKVKKKMSOKTI-BBRMVZONSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488788 433527549 /nfs/dbraw/zinc/52/75/49/433527549.db2.gz GOCKVKKKMSOKTI-BBRMVZONSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351488788 433527563 /nfs/dbraw/zinc/52/75/63/433527563.db2.gz GOCKVKKKMSOKTI-BBRMVZONSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)sc2C1 ZINC000355209033 433535702 /nfs/dbraw/zinc/53/57/02/433535702.db2.gz QCLNSXJYHZWSGZ-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)sc2C1 ZINC000355209033 433535712 /nfs/dbraw/zinc/53/57/12/433535712.db2.gz QCLNSXJYHZWSGZ-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)sc2C1 ZINC000355209033 433535722 /nfs/dbraw/zinc/53/57/22/433535722.db2.gz QCLNSXJYHZWSGZ-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)sc2C1 ZINC000355209033 433535726 /nfs/dbraw/zinc/53/57/26/433535726.db2.gz QCLNSXJYHZWSGZ-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000421390507 433538178 /nfs/dbraw/zinc/53/81/78/433538178.db2.gz SKYMFVMXZRAJDY-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421390507 433538188 /nfs/dbraw/zinc/53/81/88/433538188.db2.gz SKYMFVMXZRAJDY-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133752 433489362 /nfs/dbraw/zinc/48/93/62/433489362.db2.gz QSQCSGZLCVNAIM-ZWKOTPCHSA-N 2 2 302.462 3.008 20 0 DGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133752 433489370 /nfs/dbraw/zinc/48/93/70/433489370.db2.gz QSQCSGZLCVNAIM-ZWKOTPCHSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133752 433489381 /nfs/dbraw/zinc/48/93/81/433489381.db2.gz QSQCSGZLCVNAIM-ZWKOTPCHSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133752 433489389 /nfs/dbraw/zinc/48/93/89/433489389.db2.gz QSQCSGZLCVNAIM-ZWKOTPCHSA-N 2 2 302.462 3.008 20 0 DGADLP Cc1cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)nc(C)[nH+]1 ZINC000301310610 433500299 /nfs/dbraw/zinc/50/02/99/433500299.db2.gz ZYXPXRYNTDEWCO-CQSZACIVSA-N 2 2 306.360 3.086 20 0 DGADLP Cc1sccc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000339291530 433500876 /nfs/dbraw/zinc/50/08/76/433500876.db2.gz DGURMJUUGTYTOG-UHFFFAOYSA-N 2 2 322.518 3.429 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000339292865 433503526 /nfs/dbraw/zinc/50/35/26/433503526.db2.gz BGVMFCSELCSTTD-LTIDMASMSA-N 2 2 322.493 3.103 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000339292865 433503541 /nfs/dbraw/zinc/50/35/41/433503541.db2.gz BGVMFCSELCSTTD-LTIDMASMSA-N 2 2 322.493 3.103 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293790 433505146 /nfs/dbraw/zinc/50/51/46/433505146.db2.gz PPKCPFYUCBWOMH-MAUKXSAKSA-N 2 2 313.445 3.380 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293790 433505150 /nfs/dbraw/zinc/50/51/50/433505150.db2.gz PPKCPFYUCBWOMH-MAUKXSAKSA-N 2 2 313.445 3.380 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000339391260 433553278 /nfs/dbraw/zinc/55/32/78/433553278.db2.gz ACJMTAKDJFTABF-ZIAGYGMSSA-N 2 2 322.840 3.420 20 0 DGADLP Cc1cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301433158 433553446 /nfs/dbraw/zinc/55/34/46/433553446.db2.gz KYIATVLCGAQRMX-SFHVURJKSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1cncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375767262 433561571 /nfs/dbraw/zinc/56/15/71/433561571.db2.gz CGPYPDPCTNKGBD-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375767262 433561580 /nfs/dbraw/zinc/56/15/80/433561580.db2.gz CGPYPDPCTNKGBD-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000375767262 433561592 /nfs/dbraw/zinc/56/15/92/433561592.db2.gz CGPYPDPCTNKGBD-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000375767262 433561605 /nfs/dbraw/zinc/56/16/05/433561605.db2.gz CGPYPDPCTNKGBD-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP CC[N@@H+](Cc1ccc(C)nn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414394239 433593768 /nfs/dbraw/zinc/59/37/68/433593768.db2.gz FIKCILZENYAHQC-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP CC[N@H+](Cc1ccc(C)nn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414394239 433593774 /nfs/dbraw/zinc/59/37/74/433593774.db2.gz FIKCILZENYAHQC-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP CC[NH+](Cc1ccc(C)nn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414394239 433593780 /nfs/dbraw/zinc/59/37/80/433593780.db2.gz FIKCILZENYAHQC-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP CC[NH+](Cc1ccc(C)nn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414394239 433593787 /nfs/dbraw/zinc/59/37/87/433593787.db2.gz FIKCILZENYAHQC-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP CCCn1nc(C)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1C ZINC000351550291 433567573 /nfs/dbraw/zinc/56/75/73/433567573.db2.gz JJOVDVMRSDITHH-UHFFFAOYSA-N 2 2 324.432 3.162 20 0 DGADLP Cc1ccc2[nH+]c(CNc3[nH+]ccn3Cc3ccccc3)cn2c1 ZINC000351551090 433568876 /nfs/dbraw/zinc/56/88/76/433568876.db2.gz SCNXVBDEDFKDIY-UHFFFAOYSA-N 2 2 317.396 3.500 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3[nH+]ccn3Cc3ccccc3)n2c1 ZINC000351564665 433580101 /nfs/dbraw/zinc/58/01/01/433580101.db2.gz GYIQKBGVLFAAKL-UHFFFAOYSA-N 2 2 317.396 3.500 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000282373392 433583175 /nfs/dbraw/zinc/58/31/75/433583175.db2.gz IOJJCTAEXBGLQF-INIZCTEOSA-N 2 2 307.388 3.438 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000339448395 433593232 /nfs/dbraw/zinc/59/32/32/433593232.db2.gz PRXIYKALDLMLIV-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000339448395 433593243 /nfs/dbraw/zinc/59/32/43/433593243.db2.gz PRXIYKALDLMLIV-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000414326324 433542733 /nfs/dbraw/zinc/54/27/33/433542733.db2.gz NLDZCIQNXUFQJI-IBGZPJMESA-N 2 2 316.445 3.387 20 0 DGADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000414326324 433542741 /nfs/dbraw/zinc/54/27/41/433542741.db2.gz NLDZCIQNXUFQJI-IBGZPJMESA-N 2 2 316.445 3.387 20 0 DGADLP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nc(C(C)C)[nH+]1 ZINC000301414500 433542721 /nfs/dbraw/zinc/54/27/21/433542721.db2.gz DMCXVSLEJZTMLQ-CVEARBPZSA-N 2 2 302.466 3.360 20 0 DGADLP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)nc(C(C)C)[nH+]1 ZINC000301414500 433542728 /nfs/dbraw/zinc/54/27/28/433542728.db2.gz DMCXVSLEJZTMLQ-CVEARBPZSA-N 2 2 302.466 3.360 20 0 DGADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000339528528 433640005 /nfs/dbraw/zinc/64/00/05/433640005.db2.gz WDAOYMWMQBUGQN-GOSISDBHSA-N 2 2 322.880 3.319 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000356672718 433645418 /nfs/dbraw/zinc/64/54/18/433645418.db2.gz HWPZPBNZDHWWIY-PMACEKPBSA-N 2 2 316.489 3.228 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000356672718 433645428 /nfs/dbraw/zinc/64/54/28/433645428.db2.gz HWPZPBNZDHWWIY-PMACEKPBSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ncc[nH]1 ZINC000375896591 433607435 /nfs/dbraw/zinc/60/74/35/433607435.db2.gz YGPGSEQGTQEHHC-WZGPROSRSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ncc[nH]1 ZINC000375896591 433607445 /nfs/dbraw/zinc/60/74/45/433607445.db2.gz YGPGSEQGTQEHHC-WZGPROSRSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc[nH+]cc1Cl ZINC000301558513 433611207 /nfs/dbraw/zinc/61/12/07/433611207.db2.gz TUTPKSCCRKNMTI-CQSZACIVSA-N 2 2 301.821 3.446 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc[nH+]cc1Cl ZINC000301558513 433611216 /nfs/dbraw/zinc/61/12/16/433611216.db2.gz TUTPKSCCRKNMTI-CQSZACIVSA-N 2 2 301.821 3.446 20 0 DGADLP c1cc(Sc2ccccn2)oc1C[NH2+]CCC[NH+]1CCCC1 ZINC000293110030 433617246 /nfs/dbraw/zinc/61/72/46/433617246.db2.gz XFTLKPATLDZSIU-UHFFFAOYSA-N 2 2 317.458 3.401 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366208443 292923916 /nfs/dbraw/zinc/92/39/16/292923916.db2.gz HQYNHLMUXRUNIQ-CRAIPNDOSA-N 2 2 311.429 3.355 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427117518 433655675 /nfs/dbraw/zinc/65/56/75/433655675.db2.gz MPOUDJHDJMVZSR-IEBWSBKVSA-N 2 2 311.404 3.072 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427117518 433655682 /nfs/dbraw/zinc/65/56/82/433655682.db2.gz MPOUDJHDJMVZSR-IEBWSBKVSA-N 2 2 311.404 3.072 20 0 DGADLP Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301654472 433658169 /nfs/dbraw/zinc/65/81/69/433658169.db2.gz KUQCJOFDEPVZPL-MRXNPFEDSA-N 2 2 302.466 3.221 20 0 DGADLP Cc1csc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000376152415 433679934 /nfs/dbraw/zinc/67/99/34/433679934.db2.gz ZESCIEFIYDMEMC-SFHVURJKSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1csc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000376152415 433679941 /nfs/dbraw/zinc/67/99/41/433679941.db2.gz ZESCIEFIYDMEMC-SFHVURJKSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1nc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000351714310 433683948 /nfs/dbraw/zinc/68/39/48/433683948.db2.gz CGTUTDASOUWSKY-AWEZNQCLSA-N 2 2 306.454 3.027 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301716782 433691466 /nfs/dbraw/zinc/69/14/66/433691466.db2.gz NMNAVLMUHMSSFY-LBPRGKRZSA-N 2 2 324.350 3.293 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381387 433651606 /nfs/dbraw/zinc/65/16/06/433651606.db2.gz XLRKHYWZJADVBA-GXTWGEPZSA-N 2 2 305.397 3.272 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381387 433651611 /nfs/dbraw/zinc/65/16/11/433651611.db2.gz XLRKHYWZJADVBA-GXTWGEPZSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381387 433651613 /nfs/dbraw/zinc/65/16/13/433651613.db2.gz XLRKHYWZJADVBA-GXTWGEPZSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381387 433651615 /nfs/dbraw/zinc/65/16/15/433651615.db2.gz XLRKHYWZJADVBA-GXTWGEPZSA-N 2 2 305.397 3.272 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367057700 293018516 /nfs/dbraw/zinc/01/85/16/293018516.db2.gz MCCMMARHORZOPD-IEBWSBKVSA-N 2 2 301.478 3.429 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367079343 293022395 /nfs/dbraw/zinc/02/23/95/293022395.db2.gz GAGVXKWEGIYHIR-QZTJIDSGSA-N 2 2 302.462 3.147 20 0 DGADLP CC(C)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000367129316 293028401 /nfs/dbraw/zinc/02/84/01/293028401.db2.gz PSTPHRJQHHOTPN-HNNXBMFYSA-N 2 2 302.466 3.398 20 0 DGADLP CC(C)c1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000367129316 293028404 /nfs/dbraw/zinc/02/84/04/293028404.db2.gz PSTPHRJQHHOTPN-HNNXBMFYSA-N 2 2 302.466 3.398 20 0 DGADLP COC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936733 293034408 /nfs/dbraw/zinc/03/44/08/293034408.db2.gz JLAVALAPDWOAFH-DETPVDSQSA-N 2 2 314.832 3.096 20 0 DGADLP COC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936733 293034413 /nfs/dbraw/zinc/03/44/13/293034413.db2.gz JLAVALAPDWOAFH-DETPVDSQSA-N 2 2 314.832 3.096 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000367369986 293063080 /nfs/dbraw/zinc/06/30/80/293063080.db2.gz JPIVQNXTPMEHRE-HXUWFJFHSA-N 2 2 308.425 3.454 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000367369986 293063081 /nfs/dbraw/zinc/06/30/81/293063081.db2.gz JPIVQNXTPMEHRE-HXUWFJFHSA-N 2 2 308.425 3.454 20 0 DGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435381 293071802 /nfs/dbraw/zinc/07/18/02/293071802.db2.gz BRJGAWITZHPCPS-AWEZNQCLSA-N 2 2 301.409 3.469 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367435734 293071842 /nfs/dbraw/zinc/07/18/42/293071842.db2.gz CSZLVJREYFTTQB-OAHLLOKOSA-N 2 2 313.445 3.339 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)n1-c1ccccc1 ZINC000367682887 293089720 /nfs/dbraw/zinc/08/97/20/293089720.db2.gz HMLIZWNKOPGTHH-OXQOHEQNSA-N 2 2 324.472 3.239 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000368131578 293097076 /nfs/dbraw/zinc/09/70/76/293097076.db2.gz ATIDCMCTTGPVKT-HNNXBMFYSA-N 2 2 311.429 3.123 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000368131578 293097079 /nfs/dbraw/zinc/09/70/79/293097079.db2.gz ATIDCMCTTGPVKT-HNNXBMFYSA-N 2 2 311.429 3.123 20 0 DGADLP Fc1ccc(O[C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000368164451 293098305 /nfs/dbraw/zinc/09/83/05/293098305.db2.gz UQRIZSIBBOEHRL-KRWDZBQOSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000368164451 293098308 /nfs/dbraw/zinc/09/83/08/293098308.db2.gz UQRIZSIBBOEHRL-KRWDZBQOSA-N 2 2 311.360 3.127 20 0 DGADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000368507190 293129132 /nfs/dbraw/zinc/12/91/32/293129132.db2.gz ITPYYWNYFFLVRZ-KRFUXDQASA-N 2 2 323.440 3.036 20 0 DGADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000368507190 293129136 /nfs/dbraw/zinc/12/91/36/293129136.db2.gz ITPYYWNYFFLVRZ-KRFUXDQASA-N 2 2 323.440 3.036 20 0 DGADLP Cc1ncsc1CC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369900151 293145468 /nfs/dbraw/zinc/14/54/68/293145468.db2.gz MOHGRCQARIXNBC-HNNXBMFYSA-N 2 2 316.474 3.274 20 0 DGADLP Cc1ncsc1CC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369900151 293145469 /nfs/dbraw/zinc/14/54/69/293145469.db2.gz MOHGRCQARIXNBC-HNNXBMFYSA-N 2 2 316.474 3.274 20 0 DGADLP COC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000481048343 293153843 /nfs/dbraw/zinc/15/38/43/293153843.db2.gz LQHBGXYGRIHLNL-VQTJNVASSA-N 2 2 316.489 3.474 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373389805 293268722 /nfs/dbraw/zinc/26/87/22/293268722.db2.gz AIRRBHXEHZNQGG-CEXWTWQISA-N 2 2 309.542 3.161 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373389805 293268725 /nfs/dbraw/zinc/26/87/25/293268725.db2.gz AIRRBHXEHZNQGG-CEXWTWQISA-N 2 2 309.542 3.161 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000373639887 293300828 /nfs/dbraw/zinc/30/08/28/293300828.db2.gz OTBWSHUPKKJDPJ-AWEZNQCLSA-N 2 2 322.412 3.279 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000449255658 433733336 /nfs/dbraw/zinc/73/33/36/433733336.db2.gz FWQLWJOASBIGST-LVFSCSRESA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000449255658 433733343 /nfs/dbraw/zinc/73/33/43/433733343.db2.gz FWQLWJOASBIGST-LVFSCSRESA-N 2 2 302.462 3.053 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000427600840 433735294 /nfs/dbraw/zinc/73/52/94/433735294.db2.gz VWTHBUFQWQSAEE-AWEZNQCLSA-N 2 2 313.367 3.163 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000421803091 433736952 /nfs/dbraw/zinc/73/69/52/433736952.db2.gz PPOBCYSCWUTAKP-QGZVFWFLSA-N 2 2 303.381 3.162 20 0 DGADLP c1nc(NC2CC[NH+](C3CCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000301822982 433740251 /nfs/dbraw/zinc/74/02/51/433740251.db2.gz KZOJONVZYCFCDQ-UHFFFAOYSA-N 2 2 315.465 3.117 20 0 DGADLP c1nc(NCC2CC2)cc(NC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000301822982 433740265 /nfs/dbraw/zinc/74/02/65/433740265.db2.gz KZOJONVZYCFCDQ-UHFFFAOYSA-N 2 2 315.465 3.117 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000356871683 433740712 /nfs/dbraw/zinc/74/07/12/433740712.db2.gz OUIOVBHVVHWDHS-GJZGRUSLSA-N 2 2 322.415 3.196 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421828878 433752885 /nfs/dbraw/zinc/75/28/85/433752885.db2.gz FTNDIPBJBHFGLN-ZWKOTPCHSA-N 2 2 301.478 3.183 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421828878 433752890 /nfs/dbraw/zinc/75/28/90/433752890.db2.gz FTNDIPBJBHFGLN-ZWKOTPCHSA-N 2 2 301.478 3.183 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000428463973 433756444 /nfs/dbraw/zinc/75/64/44/433756444.db2.gz WPVOXZKQIZFAKV-GJYPPUQNSA-N 2 2 317.477 3.154 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000356901497 433757038 /nfs/dbraw/zinc/75/70/38/433757038.db2.gz PSNAVNVILUUESO-NSISKUIASA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000356901497 433757046 /nfs/dbraw/zinc/75/70/46/433757046.db2.gz PSNAVNVILUUESO-NSISKUIASA-N 2 2 316.489 3.228 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857406 433757699 /nfs/dbraw/zinc/75/76/99/433757699.db2.gz XRHBGWMVZVGVLN-QJPTWQEYSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857406 433757707 /nfs/dbraw/zinc/75/77/07/433757707.db2.gz XRHBGWMVZVGVLN-QJPTWQEYSA-N 2 2 308.376 3.162 20 0 DGADLP Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877459 433767147 /nfs/dbraw/zinc/76/71/47/433767147.db2.gz PMWXDGFXZOYFRO-OXQOHEQNSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877459 433767156 /nfs/dbraw/zinc/76/71/56/433767156.db2.gz PMWXDGFXZOYFRO-OXQOHEQNSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877459 433767161 /nfs/dbraw/zinc/76/71/61/433767161.db2.gz PMWXDGFXZOYFRO-OXQOHEQNSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877459 433767170 /nfs/dbraw/zinc/76/71/70/433767170.db2.gz PMWXDGFXZOYFRO-OXQOHEQNSA-N 2 2 324.472 3.270 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549190 433773102 /nfs/dbraw/zinc/77/31/02/433773102.db2.gz VGKZCBQQPKZIQV-FUHWJXTLSA-N 2 2 304.478 3.210 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549190 433773110 /nfs/dbraw/zinc/77/31/10/433773110.db2.gz VGKZCBQQPKZIQV-FUHWJXTLSA-N 2 2 304.478 3.210 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+](C)[C@H](C)C[NH3+])cc2)cc1 ZINC000414656599 433775428 /nfs/dbraw/zinc/77/54/28/433775428.db2.gz ITGJTVQPFASLNR-CQSZACIVSA-N 2 2 300.402 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc2)cc1 ZINC000414656599 433775434 /nfs/dbraw/zinc/77/54/34/433775434.db2.gz ITGJTVQPFASLNR-CQSZACIVSA-N 2 2 300.402 3.267 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](COc3ccccc3)C2)[nH+]1 ZINC000356951781 433779486 /nfs/dbraw/zinc/77/94/86/433779486.db2.gz ZXNFCBOLVIMKFW-MRXNPFEDSA-N 2 2 307.397 3.235 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](COc3ccccc3)C2)[nH+]1 ZINC000356951781 433779496 /nfs/dbraw/zinc/77/94/96/433779496.db2.gz ZXNFCBOLVIMKFW-MRXNPFEDSA-N 2 2 307.397 3.235 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000376602324 433786174 /nfs/dbraw/zinc/78/61/74/433786174.db2.gz NUTNNELIUYHDTK-SWLSCSKDSA-N 2 2 313.405 3.010 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000414772957 433824616 /nfs/dbraw/zinc/82/46/16/433824616.db2.gz VYDWIQSTJFFOFA-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP CN(CC1CCN(c2cc[nH+]cc2)CC1)c1[nH]c2ccccc2[nH+]1 ZINC000301916377 433790475 /nfs/dbraw/zinc/79/04/75/433790475.db2.gz IZKIEIBCGVPFEB-UHFFFAOYSA-N 2 2 321.428 3.311 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000414772957 433824620 /nfs/dbraw/zinc/82/46/20/433824620.db2.gz VYDWIQSTJFFOFA-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000449779840 433794566 /nfs/dbraw/zinc/79/45/66/433794566.db2.gz UWUQZSNAIJVWDE-INIZCTEOSA-N 2 2 318.461 3.063 20 0 DGADLP C[C@H]1CCC[N@H+](CCCCNc2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431045136 433801788 /nfs/dbraw/zinc/80/17/88/433801788.db2.gz NAYXXNQWTGULFG-AWEZNQCLSA-N 2 2 318.440 3.058 20 0 DGADLP C[C@H]1CCC[N@@H+](CCCCNc2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431045136 433801795 /nfs/dbraw/zinc/80/17/95/433801795.db2.gz NAYXXNQWTGULFG-AWEZNQCLSA-N 2 2 318.440 3.058 20 0 DGADLP FC(F)Oc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376726001 433805333 /nfs/dbraw/zinc/80/53/33/433805333.db2.gz MIANILUOJJGSHN-UHFFFAOYSA-N 2 2 307.344 3.111 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000343482181 433810429 /nfs/dbraw/zinc/81/04/29/433810429.db2.gz VGFKMBPVDTUXQM-YKTARERQSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)(CCC[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000293656584 433818964 /nfs/dbraw/zinc/81/89/64/433818964.db2.gz LGXFEVBVBUUTRZ-UHFFFAOYSA-N 2 2 313.401 3.121 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000414763523 433819278 /nfs/dbraw/zinc/81/92/78/433819278.db2.gz CRKCMLGINHFBDX-JQWIXIFHSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000414763523 433819285 /nfs/dbraw/zinc/81/92/85/433819285.db2.gz CRKCMLGINHFBDX-JQWIXIFHSA-N 2 2 315.280 3.003 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000414764132 433820492 /nfs/dbraw/zinc/82/04/92/433820492.db2.gz OAHDZIBFYWGOKC-BEFAXECRSA-N 2 2 310.441 3.450 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000414764132 433820501 /nfs/dbraw/zinc/82/05/01/433820501.db2.gz OAHDZIBFYWGOKC-BEFAXECRSA-N 2 2 310.441 3.450 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@H](C[NH3+])C1 ZINC000414762739 433820864 /nfs/dbraw/zinc/82/08/64/433820864.db2.gz AYPOWRFTTPGRJZ-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@H](C[NH3+])C1 ZINC000414762739 433820870 /nfs/dbraw/zinc/82/08/70/433820870.db2.gz AYPOWRFTTPGRJZ-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000414765894 433821057 /nfs/dbraw/zinc/82/10/57/433821057.db2.gz GVDPHSDXTWISTH-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000414765894 433821065 /nfs/dbraw/zinc/82/10/65/433821065.db2.gz GVDPHSDXTWISTH-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414836675 433874955 /nfs/dbraw/zinc/87/49/55/433874955.db2.gz ITJYRTTUJYTKQT-CQSZACIVSA-N 2 2 307.438 3.412 20 0 DGADLP Fc1ccc(COc2cccc(C[NH2+]C[C@H]3CCC[NH2+]3)c2)cc1 ZINC000414846058 433876114 /nfs/dbraw/zinc/87/61/14/433876114.db2.gz MXHSQFMISVPXKA-GOSISDBHSA-N 2 2 314.404 3.246 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866730 433829665 /nfs/dbraw/zinc/82/96/65/433829665.db2.gz LIPBKLILJFBXPV-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866730 433829679 /nfs/dbraw/zinc/82/96/79/433829679.db2.gz LIPBKLILJFBXPV-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866730 433829691 /nfs/dbraw/zinc/82/96/91/433829691.db2.gz LIPBKLILJFBXPV-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866730 433829699 /nfs/dbraw/zinc/82/96/99/433829699.db2.gz LIPBKLILJFBXPV-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)C3CCC3)c2cc1C ZINC000357033074 433837517 /nfs/dbraw/zinc/83/75/17/433837517.db2.gz DTELBPJLYZGJCL-RDJZCZTQSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)C3CCC3)c2cc1C ZINC000357033074 433837526 /nfs/dbraw/zinc/83/75/26/433837526.db2.gz DTELBPJLYZGJCL-RDJZCZTQSA-N 2 2 315.461 3.134 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414796912 433843452 /nfs/dbraw/zinc/84/34/52/433843452.db2.gz YBIFOEWNFYXLRC-UHFFFAOYSA-N 2 2 312.841 3.061 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414796912 433843461 /nfs/dbraw/zinc/84/34/61/433843461.db2.gz YBIFOEWNFYXLRC-UHFFFAOYSA-N 2 2 312.841 3.061 20 0 DGADLP CC(=O)Nc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414802674 433845374 /nfs/dbraw/zinc/84/53/74/433845374.db2.gz ISBCCZRDXOMASI-UHFFFAOYSA-N 2 2 303.450 3.047 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1Br ZINC000414801398 433846393 /nfs/dbraw/zinc/84/63/93/433846393.db2.gz UBSPXQBCCVBXLP-GFCCVEGCSA-N 2 2 305.647 3.175 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)C[NH+](C)C ZINC000293753102 433856011 /nfs/dbraw/zinc/85/60/11/433856011.db2.gz ROIUZYFVNQFUTA-NEPJUHHUSA-N 2 2 308.857 3.075 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1OC ZINC000414819789 433860381 /nfs/dbraw/zinc/86/03/81/433860381.db2.gz ZRCNFERDXGMSEQ-ZDUSSCGKSA-N 2 2 315.255 3.065 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000414833048 433867350 /nfs/dbraw/zinc/86/73/50/433867350.db2.gz OZWMZINBDDRRDB-MRXNPFEDSA-N 2 2 302.805 3.065 20 0 DGADLP C[NH2+]CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414829379 433867485 /nfs/dbraw/zinc/86/74/85/433867485.db2.gz MMUKVGDJWKNGMP-UHFFFAOYSA-N 2 2 320.868 3.268 20 0 DGADLP C[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000414830332 433868412 /nfs/dbraw/zinc/86/84/12/433868412.db2.gz NVWOWQMBYDKVJD-UHFFFAOYSA-N 2 2 320.440 3.157 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)C1CCCCC1 ZINC000414835150 433872167 /nfs/dbraw/zinc/87/21/67/433872167.db2.gz HEBZPEBVDRQGSD-CQSZACIVSA-N 2 2 307.438 3.433 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2C)cc1 ZINC000414883155 433898194 /nfs/dbraw/zinc/89/81/94/433898194.db2.gz MVZZNQILVPKNBW-PMACEKPBSA-N 2 2 310.441 3.239 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2F)cc1 ZINC000414894597 433906337 /nfs/dbraw/zinc/90/63/37/433906337.db2.gz ZPJZZESKRONHIX-MJGOQNOKSA-N 2 2 314.404 3.070 20 0 DGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091673 433908488 /nfs/dbraw/zinc/90/84/88/433908488.db2.gz GWDNRICETFKHQE-QGZVFWFLSA-N 2 2 322.880 3.007 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091673 433908506 /nfs/dbraw/zinc/90/85/06/433908506.db2.gz GWDNRICETFKHQE-QGZVFWFLSA-N 2 2 322.880 3.007 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091673 433908513 /nfs/dbraw/zinc/90/85/13/433908513.db2.gz GWDNRICETFKHQE-QGZVFWFLSA-N 2 2 322.880 3.007 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@@H]1C[NH3+] ZINC000422565139 433923833 /nfs/dbraw/zinc/92/38/33/433923833.db2.gz XSEYMZUYPNCSCS-UPJWGTAASA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@@H]1C[NH3+] ZINC000422565139 433923845 /nfs/dbraw/zinc/92/38/45/433923845.db2.gz XSEYMZUYPNCSCS-UPJWGTAASA-N 2 2 320.868 3.032 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]Cc1cccc2cccnc21 ZINC000414942845 433928802 /nfs/dbraw/zinc/92/88/02/433928802.db2.gz CGTLZQHFCOUOFH-LJQANCHMSA-N 2 2 303.409 3.211 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000414942417 433931047 /nfs/dbraw/zinc/93/10/47/433931047.db2.gz DJLIKCRIRIYBOB-GXSJLCMTSA-N 2 2 303.233 3.232 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414948985 433931984 /nfs/dbraw/zinc/93/19/84/433931984.db2.gz ZDYGPJKYZCWACS-QGZVFWFLSA-N 2 2 314.429 3.019 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000414943618 433932222 /nfs/dbraw/zinc/93/22/22/433932222.db2.gz FPIUKPYRJUPACA-BXUZGUMPSA-N 2 2 305.422 3.179 20 0 DGADLP CC1([NH2+]Cc2cc(Cl)ccc2Br)CC[NH2+]CC1 ZINC000414943907 433932328 /nfs/dbraw/zinc/93/23/28/433932328.db2.gz ONNQHAVNBYFEKM-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2[nH+]1 ZINC000340120157 433934105 /nfs/dbraw/zinc/93/41/05/433934105.db2.gz HIYUBAUHKTXIOK-TZMCWYRMSA-N 2 2 314.433 3.219 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414861997 433891049 /nfs/dbraw/zinc/89/10/49/433891049.db2.gz XCSYKIIRCADVRQ-HIFRSBDPSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)sc1Br ZINC000414964119 433944716 /nfs/dbraw/zinc/94/47/16/433944716.db2.gz YDYLYRGZVUZVQY-ONGXEEELSA-N 2 2 303.269 3.049 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414967261 433945055 /nfs/dbraw/zinc/94/50/55/433945055.db2.gz HGEXRTPWPPBTDW-HNNXBMFYSA-N 2 2 301.459 3.288 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1c[nH+]ccc1N ZINC000422726939 433951623 /nfs/dbraw/zinc/95/16/23/433951623.db2.gz AWVXVDXDGUHCMN-XJKSGUPXSA-N 2 2 316.474 3.043 20 0 DGADLP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422726939 433951628 /nfs/dbraw/zinc/95/16/28/433951628.db2.gz AWVXVDXDGUHCMN-XJKSGUPXSA-N 2 2 316.474 3.043 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414981202 433952427 /nfs/dbraw/zinc/95/24/27/433952427.db2.gz QOUSNHUFXQVAOX-KRWDZBQOSA-N 2 2 314.477 3.056 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000414979688 433954619 /nfs/dbraw/zinc/95/46/19/433954619.db2.gz OHFHQXKIXFRLEI-MRXNPFEDSA-N 2 2 314.477 3.305 20 0 DGADLP C[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000414988518 433957426 /nfs/dbraw/zinc/95/74/26/433957426.db2.gz KYMFDDJSUSLGOL-SKDRFNHKSA-N 2 2 321.209 3.125 20 0 DGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000422740797 433966332 /nfs/dbraw/zinc/96/63/32/433966332.db2.gz NFJYGZOZLALGAI-YGRLFVJLSA-N 2 2 305.422 3.270 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1nnc2ccccn21 ZINC000422743067 433968986 /nfs/dbraw/zinc/96/89/86/433968986.db2.gz QWCGZARQJNPIAC-IXDOHACOSA-N 2 2 321.428 3.305 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415073582 433977139 /nfs/dbraw/zinc/97/71/39/433977139.db2.gz ZNMPSOGMEOCBJM-MNEFBYGVSA-N 3 2 307.526 3.137 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCOC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422754118 433980264 /nfs/dbraw/zinc/98/02/64/433980264.db2.gz DSYQDJCCVONOHR-RBUKOAKNSA-N 2 2 318.461 3.037 20 0 DGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)CC1 ZINC000340214729 433989478 /nfs/dbraw/zinc/98/94/78/433989478.db2.gz OUTXAFSWSFYHPW-LJQANCHMSA-N 3 2 319.537 3.248 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000352230472 433991766 /nfs/dbraw/zinc/99/17/66/433991766.db2.gz KNCAMGUFKUFINF-OAHLLOKOSA-N 2 2 306.450 3.058 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000352230472 433991771 /nfs/dbraw/zinc/99/17/71/433991771.db2.gz KNCAMGUFKUFINF-OAHLLOKOSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C[NH3+] ZINC000422641622 433936223 /nfs/dbraw/zinc/93/62/23/433936223.db2.gz YCOAFXVYCZWGSX-MGPQQGTHSA-N 2 2 317.408 3.286 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C[NH3+] ZINC000422641622 433936258 /nfs/dbraw/zinc/93/62/58/433936258.db2.gz YCOAFXVYCZWGSX-MGPQQGTHSA-N 2 2 317.408 3.286 20 0 DGADLP Clc1ccc(-c2cc(C[NH+]3CCC4(CC[NH2+]4)CC3)on2)cc1 ZINC000422634598 433936356 /nfs/dbraw/zinc/93/63/56/433936356.db2.gz KBHOYVSHESKJTN-UHFFFAOYSA-N 2 2 317.820 3.323 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCC[NH2+]1 ZINC000422688444 433937376 /nfs/dbraw/zinc/93/73/76/433937376.db2.gz CYYLFVYGYTZPRA-OALUTQOASA-N 3 2 303.494 3.149 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422704382 433941429 /nfs/dbraw/zinc/94/14/29/433941429.db2.gz PODLXYUBXUTUMA-HNAYVOBHSA-N 3 2 322.456 3.044 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340235746 434003441 /nfs/dbraw/zinc/00/34/41/434003441.db2.gz LVTMQLHMRMSMKG-NEPXVJNWSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340235746 434003455 /nfs/dbraw/zinc/00/34/55/434003455.db2.gz LVTMQLHMRMSMKG-NEPXVJNWSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340236796 434006091 /nfs/dbraw/zinc/00/60/91/434006091.db2.gz QQIXJLZKFSOYQE-RDJZCZTQSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340236796 434006099 /nfs/dbraw/zinc/00/60/99/434006099.db2.gz QQIXJLZKFSOYQE-RDJZCZTQSA-N 2 2 301.459 3.377 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422799503 434009446 /nfs/dbraw/zinc/00/94/46/434009446.db2.gz XBDXEXPZZZSUSO-YPMHNXCESA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnn(-c3ccccc3)c1)CCC2 ZINC000377831170 434011833 /nfs/dbraw/zinc/01/18/33/434011833.db2.gz KJJCIPVYZKUROH-QGZVFWFLSA-N 2 2 321.428 3.044 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246956 434012894 /nfs/dbraw/zinc/01/28/94/434012894.db2.gz ZGCWLPHYEDSKME-XUVXKRRUSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246956 434012898 /nfs/dbraw/zinc/01/28/98/434012898.db2.gz ZGCWLPHYEDSKME-XUVXKRRUSA-N 2 2 310.441 3.145 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CCC[N@@H+]1Cc1ccccc1 ZINC000340252033 434017045 /nfs/dbraw/zinc/01/70/45/434017045.db2.gz RWGIHQQUUWAFQG-AFYVEPGGSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CCC[N@H+]1Cc1ccccc1 ZINC000340252033 434017054 /nfs/dbraw/zinc/01/70/54/434017054.db2.gz RWGIHQQUUWAFQG-AFYVEPGGSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000393649539 293832500 /nfs/dbraw/zinc/83/25/00/293832500.db2.gz BLYGCGVWVAXKKZ-CQSZACIVSA-N 2 2 301.434 3.320 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422808799 434019266 /nfs/dbraw/zinc/01/92/66/434019266.db2.gz QWPIXGHLKUUSMM-GJZGRUSLSA-N 2 2 316.367 3.248 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422816800 434023198 /nfs/dbraw/zinc/02/31/98/434023198.db2.gz BLVFKAGAVIFQQJ-NZSAHSFTSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816800 434023210 /nfs/dbraw/zinc/02/32/10/434023210.db2.gz BLVFKAGAVIFQQJ-NZSAHSFTSA-N 3 2 303.494 3.147 20 0 DGADLP c1ccc(C2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422813405 434025234 /nfs/dbraw/zinc/02/52/34/434025234.db2.gz YCNXDOSHERBKND-QUDVFMAMSA-N 2 2 314.473 3.069 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422827163 434032017 /nfs/dbraw/zinc/03/20/17/434032017.db2.gz MQQTTYPSQKEBBA-RLCCDNCMSA-N 2 2 310.388 3.253 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000422824055 434032313 /nfs/dbraw/zinc/03/23/13/434032313.db2.gz GCIFRFZAFLKURQ-MJGOQNOKSA-N 3 2 303.494 3.239 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C(C)(C)C)c1 ZINC000422829339 434033819 /nfs/dbraw/zinc/03/38/19/434033819.db2.gz BUSIOTRAQALUGV-NJAFHUGGSA-N 2 2 304.478 3.439 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000422828965 434035314 /nfs/dbraw/zinc/03/53/14/434035314.db2.gz PAJBZMNIJOOMHE-VNQPRFMTSA-N 2 2 301.459 3.210 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000422828961 434037804 /nfs/dbraw/zinc/03/78/04/434037804.db2.gz PAJBZMNIJOOMHE-BMFZPTHFSA-N 2 2 301.459 3.210 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305105769 434042870 /nfs/dbraw/zinc/04/28/70/434042870.db2.gz CWZWFMKFFZWRDN-RLFYNMQTSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422843610 434046235 /nfs/dbraw/zinc/04/62/35/434046235.db2.gz IYIUADAHMCAEIM-MAUKXSAKSA-N 2 2 311.429 3.494 20 0 DGADLP CCc1ccc([C@H](O)C[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000285568046 433999984 /nfs/dbraw/zinc/99/99/84/433999984.db2.gz SEOCIHLWKQNMMF-GOSISDBHSA-N 2 2 309.413 3.028 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422869193 434065341 /nfs/dbraw/zinc/06/53/41/434065341.db2.gz WWSLIRPTVOPJPT-HOCLYGCPSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422868756 434065523 /nfs/dbraw/zinc/06/55/23/434065523.db2.gz VVQVGUVUICAPMR-IEWDOMPSSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868756 434065528 /nfs/dbraw/zinc/06/55/28/434065528.db2.gz VVQVGUVUICAPMR-IEWDOMPSSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422868755 434066229 /nfs/dbraw/zinc/06/62/29/434066229.db2.gz VVQVGUVUICAPMR-FVVUREQNSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868755 434066240 /nfs/dbraw/zinc/06/62/40/434066240.db2.gz VVQVGUVUICAPMR-FVVUREQNSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422870609 434068370 /nfs/dbraw/zinc/06/83/70/434068370.db2.gz ZATFBCMNAFHMBX-DYESRHJHSA-N 2 2 324.468 3.491 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422869191 434068687 /nfs/dbraw/zinc/06/86/87/434068687.db2.gz WWSLIRPTVOPJPT-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000340362351 434086678 /nfs/dbraw/zinc/08/66/78/434086678.db2.gz WBEJIFOHSHSBNQ-RCCFBDPRSA-N 2 2 316.470 3.207 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000340362351 434086686 /nfs/dbraw/zinc/08/66/86/434086686.db2.gz WBEJIFOHSHSBNQ-RCCFBDPRSA-N 2 2 316.470 3.207 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc21 ZINC000422902228 434096562 /nfs/dbraw/zinc/09/65/62/434096562.db2.gz UGTNARNYICSABH-MOPGFXCFSA-N 2 2 322.456 3.306 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(C2CC2)c1 ZINC000340303823 434052359 /nfs/dbraw/zinc/05/23/59/434052359.db2.gz WHOLADLHQNDNJH-JKSUJKDBSA-N 2 2 302.462 3.325 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852770 434054223 /nfs/dbraw/zinc/05/42/23/434054223.db2.gz BHHAEZAHFQKGBN-FUHIMQAGSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852770 434054234 /nfs/dbraw/zinc/05/42/34/434054234.db2.gz BHHAEZAHFQKGBN-FUHIMQAGSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422854915 434058286 /nfs/dbraw/zinc/05/82/86/434058286.db2.gz URUZOJWEGPIMJH-ZIAGYGMSSA-N 2 2 303.475 3.144 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)on1 ZINC000340389003 434102746 /nfs/dbraw/zinc/10/27/46/434102746.db2.gz BJHADNRWNZBGDF-APWZRJJASA-N 2 2 313.445 3.168 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)on1 ZINC000340389003 434102751 /nfs/dbraw/zinc/10/27/51/434102751.db2.gz BJHADNRWNZBGDF-APWZRJJASA-N 2 2 313.445 3.168 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340387028 434103541 /nfs/dbraw/zinc/10/35/41/434103541.db2.gz AIGDNFAKIADRNN-OTWHNJEPSA-N 2 2 324.472 3.296 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340387028 434103551 /nfs/dbraw/zinc/10/35/51/434103551.db2.gz AIGDNFAKIADRNN-OTWHNJEPSA-N 2 2 324.472 3.296 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184158 434103826 /nfs/dbraw/zinc/10/38/26/434103826.db2.gz OGAIOFSZRIISFG-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184158 434103856 /nfs/dbraw/zinc/10/38/56/434103856.db2.gz OGAIOFSZRIISFG-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184158 434103868 /nfs/dbraw/zinc/10/38/68/434103868.db2.gz OGAIOFSZRIISFG-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184158 434103878 /nfs/dbraw/zinc/10/38/78/434103878.db2.gz OGAIOFSZRIISFG-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1Br)C[NH+](C)C ZINC000310227434 434105905 /nfs/dbraw/zinc/10/59/05/434105905.db2.gz IRBFKWCATGRCNK-SNVBAGLBSA-N 2 2 319.674 3.390 20 0 DGADLP CN(C)c1cccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397816 434106292 /nfs/dbraw/zinc/10/62/92/434106292.db2.gz VYNXEMOSPPHEKC-PXNSSMCTSA-N 2 2 324.472 3.073 20 0 DGADLP c1cc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[nH+]cc1N1CCCCC1 ZINC000422919028 434109765 /nfs/dbraw/zinc/10/97/65/434109765.db2.gz IVNHRVMFQAQKFS-KZNAEPCWSA-N 2 2 314.477 3.405 20 0 DGADLP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1C1CC1 ZINC000422932976 434118309 /nfs/dbraw/zinc/11/83/09/434118309.db2.gz CWOITPIHRUYKIY-SOUVJXGZSA-N 2 2 305.491 3.421 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000422935875 434121866 /nfs/dbraw/zinc/12/18/66/434121866.db2.gz AYFIJFLCNNHCCV-RKVPGOIHSA-N 2 2 302.462 3.156 20 0 DGADLP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCCC[NH2+]1 ZINC000422911782 434101461 /nfs/dbraw/zinc/10/14/61/434101461.db2.gz LMJMGKOJPICBMH-QWHCGFSZSA-N 2 2 322.403 3.094 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422907731 434101753 /nfs/dbraw/zinc/10/17/53/434101753.db2.gz CGLZPVUNXPLBNH-MOPGFXCFSA-N 3 2 303.494 3.147 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422907731 434101762 /nfs/dbraw/zinc/10/17/62/434101762.db2.gz CGLZPVUNXPLBNH-MOPGFXCFSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000422941966 434124966 /nfs/dbraw/zinc/12/49/66/434124966.db2.gz PBCHZBUDSFKNBN-IUODEOHRSA-N 2 2 301.459 3.069 20 0 DGADLP Clc1ccc(C[C@]2([NH2+]CC[NH+]3CCCCC3)CCOC2)cc1 ZINC000502590111 294169828 /nfs/dbraw/zinc/16/98/28/294169828.db2.gz BWUBHIKUPNINTH-GOSISDBHSA-N 2 2 322.880 3.117 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506562739 294272831 /nfs/dbraw/zinc/27/28/31/294272831.db2.gz NRQQHRLFMASNLY-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506562739 294272835 /nfs/dbraw/zinc/27/28/35/294272835.db2.gz NRQQHRLFMASNLY-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506562739 294272836 /nfs/dbraw/zinc/27/28/36/294272836.db2.gz NRQQHRLFMASNLY-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506562739 294272840 /nfs/dbraw/zinc/27/28/40/294272840.db2.gz NRQQHRLFMASNLY-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CO[C@H](CC(C)C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000419268718 294367811 /nfs/dbraw/zinc/36/78/11/294367811.db2.gz KXCMZGSDXUXDFT-OTWHNJEPSA-N 2 2 319.493 3.067 20 0 DGADLP CO[C@H](CC(C)C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000419268718 294367813 /nfs/dbraw/zinc/36/78/13/294367813.db2.gz KXCMZGSDXUXDFT-OTWHNJEPSA-N 2 2 319.493 3.067 20 0 DGADLP CO[C@H](CC(C)C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000419268718 294367816 /nfs/dbraw/zinc/36/78/16/294367816.db2.gz KXCMZGSDXUXDFT-OTWHNJEPSA-N 2 2 319.493 3.067 20 0 DGADLP CO[C@H](CC(C)C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000419268718 294367817 /nfs/dbraw/zinc/36/78/17/294367817.db2.gz KXCMZGSDXUXDFT-OTWHNJEPSA-N 2 2 319.493 3.067 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447663 434133632 /nfs/dbraw/zinc/13/36/32/434133632.db2.gz XLFCUXMNOWAQHA-YJBOKZPZSA-N 2 2 311.429 3.102 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447663 434133644 /nfs/dbraw/zinc/13/36/44/434133644.db2.gz XLFCUXMNOWAQHA-YJBOKZPZSA-N 2 2 311.429 3.102 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000363758111 434134279 /nfs/dbraw/zinc/13/42/79/434134279.db2.gz OOQJJDAQAHMOJB-YOEHRIQHSA-N 2 2 313.445 3.298 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000363758109 434135514 /nfs/dbraw/zinc/13/55/14/434135514.db2.gz OOQJJDAQAHMOJB-RHSMWYFYSA-N 2 2 313.445 3.298 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)c(C)n2)n1-c1ccccc1 ZINC000314336469 434141515 /nfs/dbraw/zinc/14/15/15/434141515.db2.gz UOTWARLRUBQVMF-UHFFFAOYSA-N 2 2 306.413 3.482 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)c2ccccc21 ZINC000422970039 434141899 /nfs/dbraw/zinc/14/18/99/434141899.db2.gz FAXBRQKAJQOOIZ-QZTJIDSGSA-N 2 2 309.413 3.105 20 0 DGADLP CCOc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422968763 434142532 /nfs/dbraw/zinc/14/25/32/434142532.db2.gz XNHBVBOMHOHQAT-QZTJIDSGSA-N 2 2 311.429 3.063 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286043850 434145936 /nfs/dbraw/zinc/14/59/36/434145936.db2.gz KRCKFYHJAVJWTQ-SNPRPXQTSA-N 2 2 318.461 3.288 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286043850 434145941 /nfs/dbraw/zinc/14/59/41/434145941.db2.gz KRCKFYHJAVJWTQ-SNPRPXQTSA-N 2 2 318.461 3.288 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000314637533 434146446 /nfs/dbraw/zinc/14/64/46/434146446.db2.gz FZZPPNAXIWLYBF-LJQANCHMSA-N 2 2 314.477 3.025 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422976816 434147515 /nfs/dbraw/zinc/14/75/15/434147515.db2.gz DXBKMWAQFRRRBM-IAOVAPTHSA-N 2 2 310.869 3.018 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccncc1F ZINC000340468853 434148983 /nfs/dbraw/zinc/14/89/83/434148983.db2.gz UXKDTNVWKSPQRX-OAHLLOKOSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccncc1F ZINC000340468853 434148993 /nfs/dbraw/zinc/14/89/93/434148993.db2.gz UXKDTNVWKSPQRX-OAHLLOKOSA-N 2 2 313.420 3.320 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccncc3F)CC2)[nH+]c1 ZINC000340475977 434151561 /nfs/dbraw/zinc/15/15/61/434151561.db2.gz DKRZSJMJSRNACA-CQSZACIVSA-N 2 2 314.408 3.244 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340474424 434152693 /nfs/dbraw/zinc/15/26/93/434152693.db2.gz ISKHRPWJEWTGBB-WDSOQIARSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340474424 434152701 /nfs/dbraw/zinc/15/27/01/434152701.db2.gz ISKHRPWJEWTGBB-WDSOQIARSA-N 2 2 302.462 3.198 20 0 DGADLP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000286069322 434154669 /nfs/dbraw/zinc/15/46/69/434154669.db2.gz LURXKPXMZMJUOQ-GFCCVEGCSA-N 2 2 310.463 3.058 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCO2 ZINC000363836251 434163301 /nfs/dbraw/zinc/16/33/01/434163301.db2.gz VFNQGGARRZKNSR-CQSZACIVSA-N 2 2 311.429 3.048 20 0 DGADLP CN1Cc2ccccc2[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000378399074 434168191 /nfs/dbraw/zinc/16/81/91/434168191.db2.gz DXARSAIBZKSHLU-GOSISDBHSA-N 2 2 301.478 3.026 20 0 DGADLP c1c[nH+]c([C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)[nH]1 ZINC000363861711 434169332 /nfs/dbraw/zinc/16/93/32/434169332.db2.gz GKWKFTWLVPGHIL-AEFFLSMTSA-N 2 2 310.445 3.106 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000423015028 434169341 /nfs/dbraw/zinc/16/93/41/434169341.db2.gz QELGHGUMBFECJQ-SJORKVTESA-N 2 2 303.450 3.023 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000315661893 434172499 /nfs/dbraw/zinc/17/24/99/434172499.db2.gz OUDITSZMRGGTNC-IPMKNSEASA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000315661893 434172509 /nfs/dbraw/zinc/17/25/09/434172509.db2.gz OUDITSZMRGGTNC-IPMKNSEASA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423038077 434182347 /nfs/dbraw/zinc/18/23/47/434182347.db2.gz CJXPOZYCJYGAOQ-MDASCCDHSA-N 2 2 318.436 3.118 20 0 DGADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439688 434182551 /nfs/dbraw/zinc/18/25/51/434182551.db2.gz SZHOXCGOMVETLG-AZUAARDMSA-N 2 2 321.424 3.422 20 0 DGADLP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439688 434182558 /nfs/dbraw/zinc/18/25/58/434182558.db2.gz SZHOXCGOMVETLG-AZUAARDMSA-N 2 2 321.424 3.422 20 0 DGADLP CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)[C@@H]1CCCC[NH2+]1 ZINC000423037723 434184415 /nfs/dbraw/zinc/18/44/15/434184415.db2.gz WYNRRSRYCHLORX-OALUTQOASA-N 2 2 312.461 3.191 20 0 DGADLP COc1ccccc1[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC(C)C ZINC000423046365 434186332 /nfs/dbraw/zinc/18/63/32/434186332.db2.gz DJXFCQXYZZGRMX-SUMDDJOVSA-N 2 2 320.477 3.282 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423049245 434187588 /nfs/dbraw/zinc/18/75/88/434187588.db2.gz JSHMVTFFSCYMDZ-ULQDDVLXSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)[C@H]1CCC[NH2+]1 ZINC000423048363 434188634 /nfs/dbraw/zinc/18/86/34/434188634.db2.gz IQAZKCAVNKOWKG-QMTHXVAHSA-N 2 2 322.250 3.161 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CO2 ZINC000423054594 434193550 /nfs/dbraw/zinc/19/35/50/434193550.db2.gz VBNJPXUVGCCYGI-RYQLBKOJSA-N 2 2 312.388 3.342 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1cc(Cl)ccc1Cl ZINC000423060162 434195846 /nfs/dbraw/zinc/19/58/46/434195846.db2.gz HJHALEALYRLAFJ-DMDPSCGWSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423065438 434195878 /nfs/dbraw/zinc/19/58/78/434195878.db2.gz UKUSFMKALVXFOD-VHDGCEQUSA-N 2 2 300.368 3.453 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000423068764 434201191 /nfs/dbraw/zinc/20/11/91/434201191.db2.gz CNQZNEGMSPLFPF-QXCFHYIPSA-N 2 2 302.462 3.069 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccoc1 ZINC000353530439 434201375 /nfs/dbraw/zinc/20/13/75/434201375.db2.gz MLLQYQYBJDRTIQ-WMZOPIPTSA-N 2 2 308.466 3.315 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423066656 434204378 /nfs/dbraw/zinc/20/43/78/434204378.db2.gz FCYOQZIXURYSDE-SLEUVZQESA-N 2 2 316.367 3.123 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)sc2C1 ZINC000346215092 434207738 /nfs/dbraw/zinc/20/77/38/434207738.db2.gz PJRSRXLXMXUWGG-ZIAGYGMSSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)sc2C1 ZINC000346215092 434207750 /nfs/dbraw/zinc/20/77/50/434207750.db2.gz PJRSRXLXMXUWGG-ZIAGYGMSSA-N 2 2 307.507 3.388 20 0 DGADLP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)noc1-c1ccccc1 ZINC000514667653 294507699 /nfs/dbraw/zinc/50/76/99/294507699.db2.gz HBCDBRKYWGYLMZ-RCCFBDPRSA-N 2 2 311.429 3.352 20 0 DGADLP Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000353540723 434209323 /nfs/dbraw/zinc/20/93/23/434209323.db2.gz FFOXRXDPVJFELP-KRWDZBQOSA-N 2 2 323.400 3.209 20 0 DGADLP Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000353540723 434209337 /nfs/dbraw/zinc/20/93/37/434209337.db2.gz FFOXRXDPVJFELP-KRWDZBQOSA-N 2 2 323.400 3.209 20 0 DGADLP Cc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1Br ZINC000423076635 434209709 /nfs/dbraw/zinc/20/97/09/434209709.db2.gz ZNNDAYCGTCFEOR-LLVKDONJSA-N 2 2 320.234 3.416 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000318696672 434211634 /nfs/dbraw/zinc/21/16/34/434211634.db2.gz CWRGPRAOSPVROE-CEXWTWQISA-N 2 2 304.478 3.474 20 0 DGADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000450476403 434211714 /nfs/dbraw/zinc/21/17/14/434211714.db2.gz PLEOGSZWIMUWCR-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](CC)CC)[C@H]1CCOC1 ZINC000318696674 434213169 /nfs/dbraw/zinc/21/31/69/434213169.db2.gz CWRGPRAOSPVROE-GBESFXJTSA-N 2 2 304.478 3.474 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000437090564 434215305 /nfs/dbraw/zinc/21/53/05/434215305.db2.gz IXMQJVURYGSLPD-NVXWUHKLSA-N 2 2 301.478 3.246 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000437090564 434215314 /nfs/dbraw/zinc/21/53/14/434215314.db2.gz IXMQJVURYGSLPD-NVXWUHKLSA-N 2 2 301.478 3.246 20 0 DGADLP c1n[nH]c2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc12 ZINC000423098190 434216544 /nfs/dbraw/zinc/21/65/44/434216544.db2.gz CMJSNMFFGYJELS-KZNAEPCWSA-N 2 2 312.461 3.006 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423100377 434217435 /nfs/dbraw/zinc/21/74/35/434217435.db2.gz BOGMHNPSWJYDMS-ZTFGCOKTSA-N 2 2 324.896 3.436 20 0 DGADLP CC[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000423015025 434166388 /nfs/dbraw/zinc/16/63/88/434166388.db2.gz QELGHGUMBFECJQ-DLBZAZTESA-N 2 2 303.450 3.023 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423132295 434239972 /nfs/dbraw/zinc/23/99/72/434239972.db2.gz IXUPALSXXNGDIL-GTNSWQLSSA-N 2 2 308.347 3.152 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2nccn21 ZINC000295177078 434241130 /nfs/dbraw/zinc/24/11/30/434241130.db2.gz GYKYJYWZKXYZPM-VQIMIIECSA-N 2 2 324.472 3.186 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148676 434246491 /nfs/dbraw/zinc/24/64/91/434246491.db2.gz GJTUCOJQDANDDV-HKUYNNGSSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148676 434246504 /nfs/dbraw/zinc/24/65/04/434246504.db2.gz GJTUCOJQDANDDV-HKUYNNGSSA-N 3 2 315.505 3.019 20 0 DGADLP CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000321396348 434249301 /nfs/dbraw/zinc/24/93/01/434249301.db2.gz PGTXGEAMSOLTJX-OALUTQOASA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000321396348 434249308 /nfs/dbraw/zinc/24/93/08/434249308.db2.gz PGTXGEAMSOLTJX-OALUTQOASA-N 2 2 318.461 3.071 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)CCC2 ZINC000364154524 434249641 /nfs/dbraw/zinc/24/96/41/434249641.db2.gz FNZYQJQOWRXBMB-IRXDYDNUSA-N 2 2 321.428 3.171 20 0 DGADLP C[C@@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000423153767 434251659 /nfs/dbraw/zinc/25/16/59/434251659.db2.gz GXQDCKBGBTZKOY-YGRLFVJLSA-N 2 2 303.233 3.102 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423156777 434252016 /nfs/dbraw/zinc/25/20/16/434252016.db2.gz LMINEJGUOYWPBF-RDYIKARRSA-N 2 2 309.251 3.050 20 0 DGADLP Cc1ccccc1C[NH+]1CCC(Nc2cc[nH+]c(C(C)C)n2)CC1 ZINC000346724244 434258348 /nfs/dbraw/zinc/25/83/48/434258348.db2.gz KQAYXZIAODJGSO-UHFFFAOYSA-N 2 2 324.472 3.985 20 0 DGADLP c1c[nH+]c(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[nH]1 ZINC000515503471 294564493 /nfs/dbraw/zinc/56/44/93/294564493.db2.gz HKWVPXBRJZJTGC-UHFFFAOYSA-N 2 2 316.408 3.302 20 0 DGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423178814 434267737 /nfs/dbraw/zinc/26/77/37/434267737.db2.gz GSKMRUZFAZTYAT-NSHDSACASA-N 2 2 305.422 3.352 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000423189095 434271586 /nfs/dbraw/zinc/27/15/86/434271586.db2.gz MFXXSVMRALYTDN-ZIAGYGMSSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423111307 434221651 /nfs/dbraw/zinc/22/16/51/434221651.db2.gz ISHBJZWGTMKUQW-BQFCYCMXSA-N 2 2 303.494 3.003 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111307 434221658 /nfs/dbraw/zinc/22/16/58/434221658.db2.gz ISHBJZWGTMKUQW-BQFCYCMXSA-N 2 2 303.494 3.003 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295135487 434225051 /nfs/dbraw/zinc/22/50/51/434225051.db2.gz YZNQSSQKSWFJNM-RHSMWYFYSA-N 2 2 315.486 3.104 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295135487 434225061 /nfs/dbraw/zinc/22/50/61/434225061.db2.gz YZNQSSQKSWFJNM-RHSMWYFYSA-N 2 2 315.486 3.104 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000295142577 434225384 /nfs/dbraw/zinc/22/53/84/434225384.db2.gz IXPJPMWXAIPESG-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000295142577 434225393 /nfs/dbraw/zinc/22/53/93/434225393.db2.gz IXPJPMWXAIPESG-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000353554892 434226224 /nfs/dbraw/zinc/22/62/24/434226224.db2.gz MNHUHLNICJARIY-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000353554892 434226230 /nfs/dbraw/zinc/22/62/30/434226230.db2.gz MNHUHLNICJARIY-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)ccc2n1C1CC1 ZINC000423116275 434227476 /nfs/dbraw/zinc/22/74/76/434227476.db2.gz PDDSREHKJNLXLH-SUMWQHHRSA-N 2 2 312.461 3.021 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423132293 434236627 /nfs/dbraw/zinc/23/66/27/434236627.db2.gz IXUPALSXXNGDIL-DIFFPNOSSA-N 2 2 308.347 3.152 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(C)c1 ZINC000353622989 434279897 /nfs/dbraw/zinc/27/98/97/434279897.db2.gz DPXSYGYMGHQTFX-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c[nH+]1 ZINC000353624755 434280481 /nfs/dbraw/zinc/28/04/81/434280481.db2.gz OBHQRHUORHAYBH-INIZCTEOSA-N 2 2 304.434 3.129 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c[nH+]1 ZINC000353624755 434280491 /nfs/dbraw/zinc/28/04/91/434280491.db2.gz OBHQRHUORHAYBH-INIZCTEOSA-N 2 2 304.434 3.129 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000423217977 434290338 /nfs/dbraw/zinc/29/03/38/434290338.db2.gz TVLJECBJZUDAMV-FZMZJTMJSA-N 2 2 309.251 3.123 20 0 DGADLP Cc1cc([C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2cccnc2)ccc1F ZINC000423277378 434333518 /nfs/dbraw/zinc/33/35/18/434333518.db2.gz PLLQHVOKMVBSQS-QZTJIDSGSA-N 2 2 301.409 3.191 20 0 DGADLP Brc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423231335 434298011 /nfs/dbraw/zinc/29/80/11/434298011.db2.gz GITGQMONLKLJRB-XHDPSFHLSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423231802 434300185 /nfs/dbraw/zinc/30/01/85/434300185.db2.gz LYQKCPWNSOLJNS-IBGZPJMESA-N 2 2 310.445 3.300 20 0 DGADLP Cc1ccc(C)c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423230799 434300421 /nfs/dbraw/zinc/30/04/21/434300421.db2.gz KDHARFMPYANWSM-INIZCTEOSA-N 2 2 310.445 3.281 20 0 DGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)c1cnn(C)c1 ZINC000423232373 434300749 /nfs/dbraw/zinc/30/07/49/434300749.db2.gz CACDHGZXZDUXRE-ROUUACIJSA-N 2 2 300.450 3.284 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Cl)s1 ZINC000423230802 434300890 /nfs/dbraw/zinc/30/08/90/434300890.db2.gz KDKFSBCXPKPZQX-NSHDSACASA-N 2 2 322.865 3.379 20 0 DGADLP C[NH2+]CC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423236449 434302615 /nfs/dbraw/zinc/30/26/15/434302615.db2.gz COCITWLMNSTYBW-LJQANCHMSA-N 3 2 321.484 3.188 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Cl)cc1 ZINC000423240864 434303541 /nfs/dbraw/zinc/30/35/41/434303541.db2.gz XPBXCRYTDDLRGC-ZDUSSCGKSA-N 2 2 316.836 3.318 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)s1 ZINC000348401048 434304287 /nfs/dbraw/zinc/30/42/87/434304287.db2.gz CXOLZOZKYNXMJZ-UHFFFAOYSA-N 2 2 323.506 3.128 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)s1 ZINC000348401048 434304300 /nfs/dbraw/zinc/30/43/00/434304300.db2.gz CXOLZOZKYNXMJZ-UHFFFAOYSA-N 2 2 323.506 3.128 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000423240477 434304976 /nfs/dbraw/zinc/30/49/76/434304976.db2.gz HCAJLRQMSOVXGL-GFCCVEGCSA-N 2 2 319.474 3.387 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC3=CCCCC3)c12 ZINC000516957647 294644182 /nfs/dbraw/zinc/64/41/82/294644182.db2.gz YDODWIZPAKOUNR-UHFFFAOYSA-N 2 2 306.373 3.123 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000423235578 434306032 /nfs/dbraw/zinc/30/60/32/434306032.db2.gz GOMGDAQAFIDVQC-DYVFJYSZSA-N 2 2 300.402 3.054 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423239786 434306537 /nfs/dbraw/zinc/30/65/37/434306537.db2.gz SMECHSPGSUWTAT-CQSZACIVSA-N 2 2 302.340 3.235 20 0 DGADLP c1ccc([C@@H]2CC[C@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)cc1 ZINC000423238046 434306734 /nfs/dbraw/zinc/30/67/34/434306734.db2.gz UYXLUTTYVHTXIB-MSOLQXFVSA-N 2 2 322.456 3.239 20 0 DGADLP Clc1ccc([C@H](Cc2cccnc2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423245921 434308770 /nfs/dbraw/zinc/30/87/70/434308770.db2.gz YYDCTJGGMIZSIB-MSOLQXFVSA-N 2 2 315.848 3.360 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000423245156 434310171 /nfs/dbraw/zinc/31/01/71/434310171.db2.gz YEYOLOSKOZLWPK-KGLIPLIRSA-N 2 2 315.230 3.381 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423247175 434310550 /nfs/dbraw/zinc/31/05/50/434310550.db2.gz QEXMYEFQDXXGQS-ZWKOTPCHSA-N 2 2 312.413 3.199 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423245388 434311265 /nfs/dbraw/zinc/31/12/65/434311265.db2.gz OWGOKYMAUQMLKA-UZLBHIALSA-N 2 2 320.440 3.282 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000423250033 434312631 /nfs/dbraw/zinc/31/26/31/434312631.db2.gz PWOJJYHMFUMBTR-XHDPSFHLSA-N 2 2 305.809 3.094 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423249817 434314384 /nfs/dbraw/zinc/31/43/84/434314384.db2.gz UFKRVCLVKIKLNN-KXBFYZLASA-N 2 2 314.429 3.062 20 0 DGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C(=O)OC)cc1 ZINC000423252831 434315427 /nfs/dbraw/zinc/31/54/27/434315427.db2.gz UVGHJUMNMFYPDJ-ROUUACIJSA-N 2 2 312.413 3.214 20 0 DGADLP COC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423252714 434315567 /nfs/dbraw/zinc/31/55/67/434315567.db2.gz UJSXEXLXMVAXCM-IRXDYDNUSA-N 2 2 304.821 3.317 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCO1 ZINC000386947072 434316315 /nfs/dbraw/zinc/31/63/15/434316315.db2.gz WSUAYIQZWAUPIK-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCO1 ZINC000386947072 434316324 /nfs/dbraw/zinc/31/63/24/434316324.db2.gz WSUAYIQZWAUPIK-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCO1 ZINC000386947073 434317560 /nfs/dbraw/zinc/31/75/60/434317560.db2.gz WSUAYIQZWAUPIK-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCO1 ZINC000386947073 434317570 /nfs/dbraw/zinc/31/75/70/434317570.db2.gz WSUAYIQZWAUPIK-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340713811 434317594 /nfs/dbraw/zinc/31/75/94/434317594.db2.gz ORBWORIIJYTEOI-INIZCTEOSA-N 2 2 318.852 3.347 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058835 434318243 /nfs/dbraw/zinc/31/82/43/434318243.db2.gz RGJFYCDKOGRTTG-WCQYABFASA-N 2 2 314.351 3.473 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058835 434318251 /nfs/dbraw/zinc/31/82/51/434318251.db2.gz RGJFYCDKOGRTTG-WCQYABFASA-N 2 2 314.351 3.473 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423260251 434319691 /nfs/dbraw/zinc/31/96/91/434319691.db2.gz HCZXMULHPTVBIB-IUODEOHRSA-N 2 2 315.383 3.441 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423266730 434321937 /nfs/dbraw/zinc/32/19/37/434321937.db2.gz CDESBBNEBNCAFK-QPUJVOFHSA-N 2 2 304.768 3.329 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423274020 434328940 /nfs/dbraw/zinc/32/89/40/434328940.db2.gz LJVRTDXXQSKOIJ-NXEZZACHSA-N 2 2 303.269 3.071 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346035 434332222 /nfs/dbraw/zinc/33/22/22/434332222.db2.gz MDRGRUZODVIXCQ-PDWMJMLSSA-N 2 2 302.462 3.053 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346035 434332231 /nfs/dbraw/zinc/33/22/31/434332231.db2.gz MDRGRUZODVIXCQ-PDWMJMLSSA-N 2 2 302.462 3.053 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423275199 434333111 /nfs/dbraw/zinc/33/31/11/434333111.db2.gz MVLQJTKUZLBRNC-KUHUBIRLSA-N 2 2 309.413 3.362 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CC(C(C)C)C2)cc1 ZINC000423327857 434363092 /nfs/dbraw/zinc/36/30/92/434363092.db2.gz KLOVYPQYUBNXSV-VHZYLWGESA-N 2 2 302.462 3.165 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000390582528 434363455 /nfs/dbraw/zinc/36/34/55/434363455.db2.gz JMVHQXBXDAVJRS-DOTOQJQBSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390582528 434363462 /nfs/dbraw/zinc/36/34/62/434363462.db2.gz JMVHQXBXDAVJRS-DOTOQJQBSA-N 2 2 304.478 3.443 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)s1 ZINC000366219597 434363622 /nfs/dbraw/zinc/36/36/22/434363622.db2.gz RSEQYNWBNQQJSP-AVGNSLFASA-N 2 2 314.882 3.305 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)s1 ZINC000366219597 434363626 /nfs/dbraw/zinc/36/36/26/434363626.db2.gz RSEQYNWBNQQJSP-AVGNSLFASA-N 2 2 314.882 3.305 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358171560 434366706 /nfs/dbraw/zinc/36/67/06/434366706.db2.gz RRKOREAHLRQQGJ-DLBZAZTESA-N 2 2 320.477 3.237 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000423341502 434368443 /nfs/dbraw/zinc/36/84/43/434368443.db2.gz XYGBPWKMDCUJJX-JMCQJSRRSA-N 2 2 303.631 3.027 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423339459 434368493 /nfs/dbraw/zinc/36/84/93/434368493.db2.gz VCTMJUYOMIQSLT-BEFAXECRSA-N 3 2 312.461 3.221 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358180048 434370509 /nfs/dbraw/zinc/37/05/09/434370509.db2.gz SEEBZMBUGCEINO-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358180048 434370519 /nfs/dbraw/zinc/37/05/19/434370519.db2.gz SEEBZMBUGCEINO-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@]1(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CCC[NH2+]C1 ZINC000423343103 434375549 /nfs/dbraw/zinc/37/55/49/434375549.db2.gz NNQQQBNQNXLOLP-MOPGFXCFSA-N 2 2 313.420 3.289 20 0 DGADLP C[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CCC[NH2+]C1 ZINC000423343106 434375728 /nfs/dbraw/zinc/37/57/28/434375728.db2.gz NNQQQBNQNXLOLP-RTBURBONSA-N 2 2 313.420 3.289 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1 ZINC000353733578 434375963 /nfs/dbraw/zinc/37/59/63/434375963.db2.gz ADOHNIICGFPWFO-OLZOCXBDSA-N 2 2 317.458 3.021 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1 ZINC000353733578 434375975 /nfs/dbraw/zinc/37/59/75/434375975.db2.gz ADOHNIICGFPWFO-OLZOCXBDSA-N 2 2 317.458 3.021 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1nc2ccc(Cl)cc2n1C ZINC000423377429 434391724 /nfs/dbraw/zinc/39/17/24/434391724.db2.gz YSEVKXNRBAPNSB-WCQYABFASA-N 2 2 306.841 3.019 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423368566 434383207 /nfs/dbraw/zinc/38/32/07/434383207.db2.gz NIVRORVODXXEIK-GWCFXTLKSA-N 2 2 305.422 3.263 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccnc(O[C@H](C)CC(C)C)c2)n1C ZINC000518397589 294718141 /nfs/dbraw/zinc/71/81/41/294718141.db2.gz IXQHGMCWEFYZJG-CQSZACIVSA-N 2 2 316.449 3.227 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000450753228 434386268 /nfs/dbraw/zinc/38/62/68/434386268.db2.gz BINRYVUZBIHTHN-KURKYZTESA-N 2 2 304.482 3.219 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000450753228 434386273 /nfs/dbraw/zinc/38/62/73/434386273.db2.gz BINRYVUZBIHTHN-KURKYZTESA-N 2 2 304.482 3.219 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Br ZINC000423376842 434390257 /nfs/dbraw/zinc/39/02/57/434390257.db2.gz LILIOKSAFHCDTN-SCVCMEIPSA-N 2 2 315.230 3.379 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1O ZINC000423275623 434334761 /nfs/dbraw/zinc/33/47/61/434334761.db2.gz LZYKVMPCVSXFBI-AWEZNQCLSA-N 2 2 306.450 3.364 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146160 434344829 /nfs/dbraw/zinc/34/48/29/434344829.db2.gz FEQQUIIQDLRYMH-RTBURBONSA-N 2 2 302.462 3.108 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146160 434344840 /nfs/dbraw/zinc/34/48/40/434344840.db2.gz FEQQUIIQDLRYMH-RTBURBONSA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146160 434344845 /nfs/dbraw/zinc/34/48/45/434344845.db2.gz FEQQUIIQDLRYMH-RTBURBONSA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146160 434344856 /nfs/dbraw/zinc/34/48/56/434344856.db2.gz FEQQUIIQDLRYMH-RTBURBONSA-N 2 2 302.462 3.108 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000389237743 434346490 /nfs/dbraw/zinc/34/64/90/434346490.db2.gz KBVAVWKOGHDPJT-ZFWWWQNUSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000389237743 434346499 /nfs/dbraw/zinc/34/64/99/434346499.db2.gz KBVAVWKOGHDPJT-ZFWWWQNUSA-N 2 2 309.251 3.120 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000340768785 434350662 /nfs/dbraw/zinc/35/06/62/434350662.db2.gz BNVOECYCFFOAQK-MAUKXSAKSA-N 2 2 322.456 3.737 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000340768785 434350667 /nfs/dbraw/zinc/35/06/67/434350667.db2.gz BNVOECYCFFOAQK-MAUKXSAKSA-N 2 2 322.456 3.737 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423300586 434351385 /nfs/dbraw/zinc/35/13/85/434351385.db2.gz RYRQFPNCLLDDGM-CJNGLKHVSA-N 2 2 318.440 3.488 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348497825 434354220 /nfs/dbraw/zinc/35/42/20/434354220.db2.gz SGNGKJQRLSEGFG-UHFFFAOYSA-N 2 2 318.368 3.192 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423314426 434354401 /nfs/dbraw/zinc/35/44/01/434354401.db2.gz HCTRHGFQHHYGNH-PIGZYNQJSA-N 2 2 318.852 3.222 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000287423278 434355977 /nfs/dbraw/zinc/35/59/77/434355977.db2.gz SLGHQJUQYRUWDL-BXWFABGCSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000287423278 434355988 /nfs/dbraw/zinc/35/59/88/434355988.db2.gz SLGHQJUQYRUWDL-BXWFABGCSA-N 2 2 312.461 3.217 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423318724 434359824 /nfs/dbraw/zinc/35/98/24/434359824.db2.gz DMNIRZFSJGFTTJ-QMTHXVAHSA-N 2 2 315.255 3.092 20 0 DGADLP Cn1c(CCC[NH2+][C@H]2CCOC3(CCC3)C2)[nH+]c2ccccc21 ZINC000295428554 434359686 /nfs/dbraw/zinc/35/96/86/434359686.db2.gz OKSHXPJCCJBXND-HNNXBMFYSA-N 2 2 313.445 3.197 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000348504892 434360391 /nfs/dbraw/zinc/36/03/91/434360391.db2.gz CZZIJVYWSVWOOX-INIZCTEOSA-N 2 2 320.440 3.457 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423482043 434446927 /nfs/dbraw/zinc/44/69/27/434446927.db2.gz XNVQFOWIDGTXGV-RSPOEFSDSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423482043 434446930 /nfs/dbraw/zinc/44/69/30/434446930.db2.gz XNVQFOWIDGTXGV-RSPOEFSDSA-N 3 2 315.505 3.147 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000423387188 434395212 /nfs/dbraw/zinc/39/52/12/434395212.db2.gz JRVOZGYXTUBOFX-ABAIWWIYSA-N 2 2 311.267 3.414 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Cc1ccccc1 ZINC000450763453 434395827 /nfs/dbraw/zinc/39/58/27/434395827.db2.gz PDMSBPGDPKBZIV-RTBURBONSA-N 2 2 312.461 3.088 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Cc1ccccc1 ZINC000450763453 434395835 /nfs/dbraw/zinc/39/58/35/434395835.db2.gz PDMSBPGDPKBZIV-RTBURBONSA-N 2 2 312.461 3.088 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423388160 434397004 /nfs/dbraw/zinc/39/70/04/434397004.db2.gz TZOLRZQTEJREIC-MFKMUULPSA-N 2 2 301.356 3.065 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000423390089 434397606 /nfs/dbraw/zinc/39/76/06/434397606.db2.gz VRVIWIKOJPIZPM-BXUZGUMPSA-N 2 2 311.267 3.332 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000423399771 434400192 /nfs/dbraw/zinc/40/01/92/434400192.db2.gz UZXFXHPQMBPOPW-IERDGZPVSA-N 3 2 321.468 3.042 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000423399771 434400204 /nfs/dbraw/zinc/40/02/04/434400204.db2.gz UZXFXHPQMBPOPW-IERDGZPVSA-N 3 2 321.468 3.042 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423395422 434401678 /nfs/dbraw/zinc/40/16/78/434401678.db2.gz SODBJNVLVOFLDX-ZBFHGGJFSA-N 2 2 306.425 3.189 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423402812 434405768 /nfs/dbraw/zinc/40/57/68/434405768.db2.gz XDZBRCNOVMJLDN-GUYCJALGSA-N 2 2 303.837 3.216 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423402807 434406343 /nfs/dbraw/zinc/40/63/43/434406343.db2.gz XDZBRCNOVMJLDN-CXAGYDPISA-N 2 2 303.837 3.216 20 0 DGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000519772426 294794859 /nfs/dbraw/zinc/79/48/59/294794859.db2.gz UHRGIDXRASAOFB-HNAYVOBHSA-N 2 2 323.440 3.250 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)C[C@@H]1C[NH3+] ZINC000394819884 434407788 /nfs/dbraw/zinc/40/77/88/434407788.db2.gz XDDSYXVIUOOFCW-MNOVXSKESA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Br)C[C@@H]1C[NH3+] ZINC000394819884 434407793 /nfs/dbraw/zinc/40/77/93/434407793.db2.gz XDDSYXVIUOOFCW-MNOVXSKESA-N 2 2 315.230 3.005 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@@H]1[NH3+] ZINC000394712041 434407854 /nfs/dbraw/zinc/40/78/54/434407854.db2.gz QPECEASNVULHPQ-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1[NH3+] ZINC000394712041 434407860 /nfs/dbraw/zinc/40/78/60/434407860.db2.gz QPECEASNVULHPQ-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CC[N@H+](CC[C@@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438109543 434408148 /nfs/dbraw/zinc/40/81/48/434408148.db2.gz KXWRPDILUODHDY-GOSISDBHSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+](CC[C@@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438109543 434408153 /nfs/dbraw/zinc/40/81/53/434408153.db2.gz KXWRPDILUODHDY-GOSISDBHSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CCC2 ZINC000423414636 434409283 /nfs/dbraw/zinc/40/92/83/434409283.db2.gz CLBHIMPCTYXYJR-NVXWUHKLSA-N 2 2 313.470 3.306 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000423413816 434410991 /nfs/dbraw/zinc/41/09/91/434410991.db2.gz BASOKRINKFFMJT-XHDPSFHLSA-N 2 2 317.260 3.413 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CCC[NH2+]1 ZINC000423415612 434412578 /nfs/dbraw/zinc/41/25/78/434412578.db2.gz DWBWICBHPXIFMF-DNVCBOLYSA-N 2 2 314.429 3.366 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423415958 434412603 /nfs/dbraw/zinc/41/26/03/434412603.db2.gz FJRMLCHZZIAGDR-SOAMZJECSA-N 2 2 314.473 3.058 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438111919 434412832 /nfs/dbraw/zinc/41/28/32/434412832.db2.gz CQNUROJUEVFMJO-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438111919 434412841 /nfs/dbraw/zinc/41/28/41/434412841.db2.gz CQNUROJUEVFMJO-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](c2cc3ccccc3o2)C(C)C)CCC[NH2+]1 ZINC000423417540 434415419 /nfs/dbraw/zinc/41/54/19/434415419.db2.gz SOXVGVZYYSAOFY-OALUTQOASA-N 2 2 316.445 3.488 20 0 DGADLP COCCC[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000395399826 434417122 /nfs/dbraw/zinc/41/71/22/434417122.db2.gz DNLNVORGGWPNMU-KRWDZBQOSA-N 2 2 304.478 3.446 20 0 DGADLP COCCC[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000395399826 434417126 /nfs/dbraw/zinc/41/71/26/434417126.db2.gz DNLNVORGGWPNMU-KRWDZBQOSA-N 2 2 304.478 3.446 20 0 DGADLP COCCC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000395399827 434418178 /nfs/dbraw/zinc/41/81/78/434418178.db2.gz DNLNVORGGWPNMU-QGZVFWFLSA-N 2 2 304.478 3.446 20 0 DGADLP COCCC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000395399827 434418186 /nfs/dbraw/zinc/41/81/86/434418186.db2.gz DNLNVORGGWPNMU-QGZVFWFLSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000423430150 434418860 /nfs/dbraw/zinc/41/88/60/434418860.db2.gz PNWUPDNPIBNSAA-CXAGYDPISA-N 2 2 311.385 3.201 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)CCC[NH2+]1 ZINC000423431405 434420775 /nfs/dbraw/zinc/42/07/75/434420775.db2.gz QMKOFRFTEORQDG-HNAYVOBHSA-N 2 2 316.445 3.469 20 0 DGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423438537 434423889 /nfs/dbraw/zinc/42/38/89/434423889.db2.gz UYXPKBDWZRIGMC-SMDDNHRTSA-N 2 2 302.871 3.211 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423455858 434432160 /nfs/dbraw/zinc/43/21/60/434432160.db2.gz DBUSVCNQGBWATC-DTWKUNHWSA-N 2 2 324.318 3.277 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397298439 434433177 /nfs/dbraw/zinc/43/31/77/434433177.db2.gz CMDMBKWUSWQARK-DEYYWGMASA-N 2 2 318.461 3.093 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397298439 434433189 /nfs/dbraw/zinc/43/31/89/434433189.db2.gz CMDMBKWUSWQARK-DEYYWGMASA-N 2 2 318.461 3.093 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190594 434433471 /nfs/dbraw/zinc/43/34/71/434433471.db2.gz OJVWPPPXGZKFIH-VQIMIIECSA-N 2 2 302.462 3.308 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190594 434433481 /nfs/dbraw/zinc/43/34/81/434433481.db2.gz OJVWPPPXGZKFIH-VQIMIIECSA-N 2 2 302.462 3.308 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000397318589 434437503 /nfs/dbraw/zinc/43/75/03/434437503.db2.gz RVTQYUAQDWFZBH-GMTAPVOTSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000397318589 434437513 /nfs/dbraw/zinc/43/75/13/434437513.db2.gz RVTQYUAQDWFZBH-GMTAPVOTSA-N 2 2 317.296 3.316 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397379619 434438031 /nfs/dbraw/zinc/43/80/31/434438031.db2.gz FLZYBPCDMDBOLF-XHSDSOJGSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397379619 434438037 /nfs/dbraw/zinc/43/80/37/434438037.db2.gz FLZYBPCDMDBOLF-XHSDSOJGSA-N 2 2 317.477 3.054 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423477397 434441383 /nfs/dbraw/zinc/44/13/83/434441383.db2.gz TYQJPQMEWLYCIW-FZMZJTMJSA-N 2 2 306.841 3.222 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423498980 434461591 /nfs/dbraw/zinc/46/15/91/434461591.db2.gz IWINDMCBHXSYEJ-KBXCAEBGSA-N 2 2 300.450 3.377 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423498995 434461750 /nfs/dbraw/zinc/46/17/50/434461750.db2.gz IWVXNPVZLTVPDV-LIRRHRJNSA-N 3 2 312.461 3.349 20 0 DGADLP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@H](C[NH3+])C1CC1 ZINC000359982947 434462265 /nfs/dbraw/zinc/46/22/65/434462265.db2.gz FXFMLPBTCITMTF-QGZVFWFLSA-N 2 2 320.440 3.170 20 0 DGADLP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@H](C[NH3+])C1CC1 ZINC000359982947 434462278 /nfs/dbraw/zinc/46/22/78/434462278.db2.gz FXFMLPBTCITMTF-QGZVFWFLSA-N 2 2 320.440 3.170 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCN(c4ccccc4F)C3)c[nH+]c12 ZINC000366612738 434463962 /nfs/dbraw/zinc/46/39/62/434463962.db2.gz YUEJHHNPCXXTJX-OAHLLOKOSA-N 2 2 324.403 3.150 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423509492 434465301 /nfs/dbraw/zinc/46/53/01/434465301.db2.gz JUDMTKCBOCVUEC-PNHOKKKMSA-N 2 2 323.440 3.051 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000423509616 434467700 /nfs/dbraw/zinc/46/77/00/434467700.db2.gz RRTNPRLUDRRJFL-OALUTQOASA-N 2 2 320.440 3.351 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423515547 434469023 /nfs/dbraw/zinc/46/90/23/434469023.db2.gz AEMHOSLAMOWJQL-QGZVFWFLSA-N 3 2 317.521 3.394 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423521853 434471951 /nfs/dbraw/zinc/47/19/51/434471951.db2.gz LMFWINLZSNNZFT-HUUCEWRRSA-N 2 2 316.367 3.125 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)sc1Cl ZINC000423518485 434472069 /nfs/dbraw/zinc/47/20/69/434472069.db2.gz OSJPSKWFKWMOPC-IUCAKERBSA-N 2 2 309.262 3.084 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423522191 434476498 /nfs/dbraw/zinc/47/64/98/434476498.db2.gz RJNCDYKNIHDHCM-ZYHUDNBSSA-N 2 2 303.233 3.023 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423527297 434477933 /nfs/dbraw/zinc/47/79/33/434477933.db2.gz MGARFSAGXRDZKE-VBNZEHGJSA-N 2 2 301.459 3.166 20 0 DGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423526159 434477990 /nfs/dbraw/zinc/47/79/90/434477990.db2.gz UYGNXVCJAUKDJL-YJBOKZPZSA-N 2 2 315.461 3.013 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423522487 434478125 /nfs/dbraw/zinc/47/81/25/434478125.db2.gz MIOPZZBIXLDUBI-SWLSCSKDSA-N 2 2 320.433 3.193 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000341006092 434481608 /nfs/dbraw/zinc/48/16/08/434481608.db2.gz JTOIARKLSMDTBE-QWRGUYRKSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@H+]1C ZINC000341006092 434481617 /nfs/dbraw/zinc/48/16/17/434481617.db2.gz JTOIARKLSMDTBE-QWRGUYRKSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423549560 434485501 /nfs/dbraw/zinc/48/55/01/434485501.db2.gz HSGUAWVSRNALDF-YPMHNXCESA-N 2 2 302.340 3.378 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000360035961 434487303 /nfs/dbraw/zinc/48/73/03/434487303.db2.gz DDPRJOBXNPONCV-KFKAGJAMSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000360035961 434487315 /nfs/dbraw/zinc/48/73/15/434487315.db2.gz DDPRJOBXNPONCV-KFKAGJAMSA-N 2 2 302.462 3.054 20 0 DGADLP Clc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CC2)cc1Cl ZINC000423560837 434489194 /nfs/dbraw/zinc/48/91/94/434489194.db2.gz JOZAOTAVNSJIJI-WFASDCNBSA-N 2 2 315.244 3.023 20 0 DGADLP COc1cccc(C(F)(F)C[NH2+]CCCc2c[nH+]ccc2C)n1 ZINC000348781335 434491755 /nfs/dbraw/zinc/49/17/55/434491755.db2.gz CNWJAXOVLDJGJM-UHFFFAOYSA-N 2 2 321.371 3.108 20 0 DGADLP Clc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423579720 434493485 /nfs/dbraw/zinc/49/34/85/434493485.db2.gz WQAYYJNUVORBBX-QZTJIDSGSA-N 2 2 316.832 3.007 20 0 DGADLP COc1cccc(C(F)(F)C[NH2+]CCCc2ccc(C)[nH+]c2)n1 ZINC000348786224 434495323 /nfs/dbraw/zinc/49/53/23/434495323.db2.gz TYGITDRNDXRVSC-UHFFFAOYSA-N 2 2 321.371 3.108 20 0 DGADLP CCc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000348818315 434509069 /nfs/dbraw/zinc/50/90/69/434509069.db2.gz RZGZOYGPZRTCRG-UHFFFAOYSA-N 2 2 301.434 3.191 20 0 DGADLP CCc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000348818315 434509075 /nfs/dbraw/zinc/50/90/75/434509075.db2.gz RZGZOYGPZRTCRG-UHFFFAOYSA-N 2 2 301.434 3.191 20 0 DGADLP CCc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000348818315 434509079 /nfs/dbraw/zinc/50/90/79/434509079.db2.gz RZGZOYGPZRTCRG-UHFFFAOYSA-N 2 2 301.434 3.191 20 0 DGADLP CCc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000348818315 434509087 /nfs/dbraw/zinc/50/90/87/434509087.db2.gz RZGZOYGPZRTCRG-UHFFFAOYSA-N 2 2 301.434 3.191 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000353927502 434527178 /nfs/dbraw/zinc/52/71/78/434527178.db2.gz JLJMGDZIXAZXEJ-QGZVFWFLSA-N 3 2 303.494 3.424 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000353927502 434527182 /nfs/dbraw/zinc/52/71/82/434527182.db2.gz JLJMGDZIXAZXEJ-QGZVFWFLSA-N 3 2 303.494 3.424 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000353924625 434528623 /nfs/dbraw/zinc/52/86/23/434528623.db2.gz TWSUPEZVAHXQKF-UHFFFAOYSA-N 2 2 312.461 3.025 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000353931497 434532784 /nfs/dbraw/zinc/53/27/84/434532784.db2.gz QPPGTLOWGXZQTO-XNYRCJLNSA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000353931497 434532790 /nfs/dbraw/zinc/53/27/90/434532790.db2.gz QPPGTLOWGXZQTO-XNYRCJLNSA-N 2 2 324.509 3.208 20 0 DGADLP CCN(CC)c1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cn1 ZINC000353932008 434533525 /nfs/dbraw/zinc/53/35/25/434533525.db2.gz RVYAULQLUWUTKS-UHFFFAOYSA-N 2 2 312.461 3.354 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@@H](C)[NH3+] ZINC000423805273 434544125 /nfs/dbraw/zinc/54/41/25/434544125.db2.gz CTBTUALFNKCPIY-BZNIZROVSA-N 2 2 314.433 3.009 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000525990843 295048873 /nfs/dbraw/zinc/04/88/73/295048873.db2.gz XSWKCMPSJSPISC-UHFFFAOYSA-N 2 2 320.477 3.076 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000525990843 295048875 /nfs/dbraw/zinc/04/88/75/295048875.db2.gz XSWKCMPSJSPISC-UHFFFAOYSA-N 2 2 320.477 3.076 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527514523 295100373 /nfs/dbraw/zinc/10/03/73/295100373.db2.gz HQYKOBVEZOTNJN-INIZCTEOSA-N 2 2 312.404 3.071 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527514523 295100376 /nfs/dbraw/zinc/10/03/76/295100376.db2.gz HQYKOBVEZOTNJN-INIZCTEOSA-N 2 2 312.404 3.071 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527635298 295107622 /nfs/dbraw/zinc/10/76/22/295107622.db2.gz ARTXHKODFQLDQO-SNRMKQJTSA-N 2 2 309.457 3.498 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000527637106 295107642 /nfs/dbraw/zinc/10/76/42/295107642.db2.gz ICQVBHQNRPHHGV-NSHDSACASA-N 2 2 313.323 3.089 20 0 DGADLP c1cc2ccc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)cc2[nH]1 ZINC000527639427 295108022 /nfs/dbraw/zinc/10/80/22/295108022.db2.gz CSSRTQBIWDEXIR-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000527893709 295146491 /nfs/dbraw/zinc/14/64/91/295146491.db2.gz FIAPOUCITUOIER-HOTGVXAUSA-N 2 2 303.450 3.181 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000527893709 295146492 /nfs/dbraw/zinc/14/64/92/295146492.db2.gz FIAPOUCITUOIER-HOTGVXAUSA-N 2 2 303.450 3.181 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)c2C1 ZINC000354004622 434569166 /nfs/dbraw/zinc/56/91/66/434569166.db2.gz ZKVLVMQNKHNLLL-KRWDZBQOSA-N 2 2 324.428 3.125 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)c2C1 ZINC000354004622 434569171 /nfs/dbraw/zinc/56/91/71/434569171.db2.gz ZKVLVMQNKHNLLL-KRWDZBQOSA-N 2 2 324.428 3.125 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)ccc1Oc1cc[nH+]cc1 ZINC000423912501 434575710 /nfs/dbraw/zinc/57/57/10/434575710.db2.gz TYKYYIRCMVGENC-QFBILLFUSA-N 2 2 323.396 3.120 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncccc1Cl ZINC000528473264 295217179 /nfs/dbraw/zinc/21/71/79/295217179.db2.gz FYASVYDYZQTHKA-UHFFFAOYSA-N 2 2 306.841 3.406 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncccc1Cl ZINC000528473264 295217180 /nfs/dbraw/zinc/21/71/80/295217180.db2.gz FYASVYDYZQTHKA-UHFFFAOYSA-N 2 2 306.841 3.406 20 0 DGADLP Cc1ccc2sc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)nc2c1 ZINC000528512272 295221336 /nfs/dbraw/zinc/22/13/36/295221336.db2.gz KCAYJRDXPSPOSG-QGZVFWFLSA-N 2 2 301.459 3.132 20 0 DGADLP Cc1ccc2sc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)nc2c1 ZINC000528512272 295221338 /nfs/dbraw/zinc/22/13/38/295221338.db2.gz KCAYJRDXPSPOSG-QGZVFWFLSA-N 2 2 301.459 3.132 20 0 DGADLP Cc1ccc2sc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)nc2c1 ZINC000528512272 295221340 /nfs/dbraw/zinc/22/13/40/295221340.db2.gz KCAYJRDXPSPOSG-QGZVFWFLSA-N 2 2 301.459 3.132 20 0 DGADLP Cc1ccc2sc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)nc2c1 ZINC000528512272 295221342 /nfs/dbraw/zinc/22/13/42/295221342.db2.gz KCAYJRDXPSPOSG-QGZVFWFLSA-N 2 2 301.459 3.132 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011962 434574654 /nfs/dbraw/zinc/57/46/54/434574654.db2.gz YHWQQEDEHJIGQV-GOEBONIOSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011962 434574661 /nfs/dbraw/zinc/57/46/61/434574661.db2.gz YHWQQEDEHJIGQV-GOEBONIOSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011962 434574668 /nfs/dbraw/zinc/57/46/68/434574668.db2.gz YHWQQEDEHJIGQV-GOEBONIOSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011962 434574675 /nfs/dbraw/zinc/57/46/75/434574675.db2.gz YHWQQEDEHJIGQV-GOEBONIOSA-N 2 2 323.506 3.158 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000414057856 295236496 /nfs/dbraw/zinc/23/64/96/295236496.db2.gz GJYYADRGOMSRTE-ZACQAIPSSA-N 2 2 320.477 3.154 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414057855 295236504 /nfs/dbraw/zinc/23/65/04/295236504.db2.gz GJYYADRGOMSRTE-ULQDDVLXSA-N 2 2 320.477 3.154 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000354034426 434587986 /nfs/dbraw/zinc/58/79/86/434587986.db2.gz QYWZKOWWYWABML-INIZCTEOSA-N 2 2 320.339 3.336 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673775 295249551 /nfs/dbraw/zinc/24/95/51/295249551.db2.gz CRDKVOGSSUSZBR-RHSMWYFYSA-N 2 2 306.450 3.214 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673775 295249552 /nfs/dbraw/zinc/24/95/52/295249552.db2.gz CRDKVOGSSUSZBR-RHSMWYFYSA-N 2 2 306.450 3.214 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)[C@H]1SC ZINC000459530379 434596391 /nfs/dbraw/zinc/59/63/91/434596391.db2.gz MFNTVFNCZBVWEJ-REEYDVFISA-N 2 2 322.518 3.176 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)c2ccccc21 ZINC000423134650 295325717 /nfs/dbraw/zinc/32/57/17/295325717.db2.gz XHVCJIWDIASUBV-KURKYZTESA-N 2 2 316.832 3.498 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000354095251 434615029 /nfs/dbraw/zinc/61/50/29/434615029.db2.gz ZHCXJHGHBSFRJF-DUXKGJEZSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000354095251 434615034 /nfs/dbraw/zinc/61/50/34/434615034.db2.gz ZHCXJHGHBSFRJF-DUXKGJEZSA-N 2 2 324.468 3.363 20 0 DGADLP CC(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354099959 434617093 /nfs/dbraw/zinc/61/70/93/434617093.db2.gz INKKMCAZFHTCFH-HNNXBMFYSA-N 2 2 307.507 3.430 20 0 DGADLP CC(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354099959 434617098 /nfs/dbraw/zinc/61/70/98/434617098.db2.gz INKKMCAZFHTCFH-HNNXBMFYSA-N 2 2 307.507 3.430 20 0 DGADLP CC(C)c1ncc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354099959 434617107 /nfs/dbraw/zinc/61/71/07/434617107.db2.gz INKKMCAZFHTCFH-HNNXBMFYSA-N 2 2 307.507 3.430 20 0 DGADLP CC(C)c1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354099959 434617109 /nfs/dbraw/zinc/61/71/09/434617109.db2.gz INKKMCAZFHTCFH-HNNXBMFYSA-N 2 2 307.507 3.430 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc2cccnc12 ZINC000349153782 434620446 /nfs/dbraw/zinc/62/04/46/434620446.db2.gz SPMFNOSWZRUDCF-QGZVFWFLSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc2cccnc12 ZINC000349153782 434620452 /nfs/dbraw/zinc/62/04/52/434620452.db2.gz SPMFNOSWZRUDCF-QGZVFWFLSA-N 2 2 306.413 3.266 20 0 DGADLP CC(C)[C@@H](CNCc1c[nH+]cn1C(C)C)[NH+]1CCCCCC1 ZINC000424134878 434632740 /nfs/dbraw/zinc/63/27/40/434632740.db2.gz OGFGYUNDSFSSNP-GOSISDBHSA-N 2 2 306.498 3.454 20 0 DGADLP CC(C)n1c[nH+]cc1C[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000424156857 434639948 /nfs/dbraw/zinc/63/99/48/434639948.db2.gz MKBJMYJYXPXUBS-UHFFFAOYSA-N 2 2 302.422 3.326 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c[nH+]1 ZINC000354145727 434640681 /nfs/dbraw/zinc/64/06/81/434640681.db2.gz GHDCPRPDEIWEQY-LJQANCHMSA-N 2 2 315.436 3.354 20 0 DGADLP CC(C)n1c[nH+]cc1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000424172770 434643930 /nfs/dbraw/zinc/64/39/30/434643930.db2.gz DMMBVCNMOSALKI-LLVKDONJSA-N 2 2 323.238 3.472 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[N@H+](Cc2ccccc2)C1 ZINC000439781390 434644718 /nfs/dbraw/zinc/64/47/18/434644718.db2.gz JOVMXDSXVYEYLQ-JUSBFGHESA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[N@@H+](Cc2ccccc2)C1 ZINC000439781390 434644723 /nfs/dbraw/zinc/64/47/23/434644723.db2.gz JOVMXDSXVYEYLQ-JUSBFGHESA-N 2 2 314.473 3.054 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(N2CCCC2)nc1 ZINC000349366611 434693935 /nfs/dbraw/zinc/69/39/35/434693935.db2.gz JYAYVBBRRAPSBX-UHFFFAOYSA-N 2 2 318.509 3.236 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(N2CCCC2)nc1 ZINC000349366611 434693938 /nfs/dbraw/zinc/69/39/38/434693938.db2.gz JYAYVBBRRAPSBX-UHFFFAOYSA-N 2 2 318.509 3.236 20 0 DGADLP Cc1ccc2c(CC[NH2+]Cc3cccc4[nH+]ccn43)c[nH]c2c1 ZINC000354271811 434696944 /nfs/dbraw/zinc/69/69/44/434696944.db2.gz MLWDCTMDRWFVBY-UHFFFAOYSA-N 2 2 304.397 3.456 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354165776 434649274 /nfs/dbraw/zinc/64/92/74/434649274.db2.gz HRVQOFGLXXLWKG-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354165776 434649283 /nfs/dbraw/zinc/64/92/83/434649283.db2.gz HRVQOFGLXXLWKG-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354165776 434649288 /nfs/dbraw/zinc/64/92/88/434649288.db2.gz HRVQOFGLXXLWKG-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354165776 434649292 /nfs/dbraw/zinc/64/92/92/434649292.db2.gz HRVQOFGLXXLWKG-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164455 434649730 /nfs/dbraw/zinc/64/97/30/434649730.db2.gz ARGHIMVYZMJKPE-KRWDZBQOSA-N 2 2 307.507 3.358 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164455 434649739 /nfs/dbraw/zinc/64/97/39/434649739.db2.gz ARGHIMVYZMJKPE-KRWDZBQOSA-N 2 2 307.507 3.358 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164455 434649748 /nfs/dbraw/zinc/64/97/48/434649748.db2.gz ARGHIMVYZMJKPE-KRWDZBQOSA-N 2 2 307.507 3.358 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164455 434649753 /nfs/dbraw/zinc/64/97/53/434649753.db2.gz ARGHIMVYZMJKPE-KRWDZBQOSA-N 2 2 307.507 3.358 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccn(C)n1 ZINC000459753594 434699067 /nfs/dbraw/zinc/69/90/67/434699067.db2.gz NLHPZUUPNUAQMX-BFYDXBDKSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354177370 434657541 /nfs/dbraw/zinc/65/75/41/434657541.db2.gz PJWXGAFBXPFSRF-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354177370 434657547 /nfs/dbraw/zinc/65/75/47/434657547.db2.gz PJWXGAFBXPFSRF-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354177370 434657558 /nfs/dbraw/zinc/65/75/58/434657558.db2.gz PJWXGAFBXPFSRF-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354177370 434657564 /nfs/dbraw/zinc/65/75/64/434657564.db2.gz PJWXGAFBXPFSRF-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000349313225 434667211 /nfs/dbraw/zinc/66/72/11/434667211.db2.gz NZRGPHDQCRMTMF-VDZJLULYSA-N 2 2 320.477 3.091 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000349313225 434667217 /nfs/dbraw/zinc/66/72/17/434667217.db2.gz NZRGPHDQCRMTMF-VDZJLULYSA-N 2 2 320.477 3.091 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)C1 ZINC000349313223 434667801 /nfs/dbraw/zinc/66/78/01/434667801.db2.gz NZRGPHDQCRMTMF-KVSKMBFKSA-N 2 2 320.477 3.091 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](OC(C)C)c2ccccc2OC)C1 ZINC000349313223 434667807 /nfs/dbraw/zinc/66/78/07/434667807.db2.gz NZRGPHDQCRMTMF-KVSKMBFKSA-N 2 2 320.477 3.091 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000349311433 434667964 /nfs/dbraw/zinc/66/79/64/434667964.db2.gz JHHCGEJZCZRCDJ-IZIZEDOESA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000349311433 434667969 /nfs/dbraw/zinc/66/79/69/434667969.db2.gz JHHCGEJZCZRCDJ-IZIZEDOESA-N 2 2 302.462 3.195 20 0 DGADLP c1csc([C@H](Cc2ccncc2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000424267772 434669267 /nfs/dbraw/zinc/66/92/67/434669267.db2.gz YTILYFOLHBUURR-INIZCTEOSA-N 2 2 312.442 3.303 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226055 434677246 /nfs/dbraw/zinc/67/72/46/434677246.db2.gz UYPCEFQUDFXYCJ-HOCLYGCPSA-N 2 2 312.461 3.243 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226055 434677249 /nfs/dbraw/zinc/67/72/49/434677249.db2.gz UYPCEFQUDFXYCJ-HOCLYGCPSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226055 434677257 /nfs/dbraw/zinc/67/72/57/434677257.db2.gz UYPCEFQUDFXYCJ-HOCLYGCPSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226055 434677261 /nfs/dbraw/zinc/67/72/61/434677261.db2.gz UYPCEFQUDFXYCJ-HOCLYGCPSA-N 2 2 312.461 3.243 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000360964920 434747447 /nfs/dbraw/zinc/74/74/47/434747447.db2.gz YUKCXFXJNVTZPL-HNNXBMFYSA-N 2 2 310.445 3.051 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000360964920 434747455 /nfs/dbraw/zinc/74/74/55/434747455.db2.gz YUKCXFXJNVTZPL-HNNXBMFYSA-N 2 2 310.445 3.051 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000360969181 434749827 /nfs/dbraw/zinc/74/98/27/434749827.db2.gz PZBKWKRRUBFIHI-UHFFFAOYSA-N 2 2 324.852 3.089 20 0 DGADLP CC[C@H](C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231913 434754042 /nfs/dbraw/zinc/75/40/42/434754042.db2.gz DKNSSQWMHSHQLJ-JKSUJKDBSA-N 2 2 301.434 3.234 20 0 DGADLP CC[C@H](C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231913 434754047 /nfs/dbraw/zinc/75/40/47/434754047.db2.gz DKNSSQWMHSHQLJ-JKSUJKDBSA-N 2 2 301.434 3.234 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnn(-c2ccccc2)c1 ZINC000349406036 434705716 /nfs/dbraw/zinc/70/57/16/434705716.db2.gz JMHSXSCPAYEXCL-UHFFFAOYSA-N 2 2 314.477 3.426 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnn(-c2ccccc2)c1 ZINC000349406036 434705723 /nfs/dbraw/zinc/70/57/23/434705723.db2.gz JMHSXSCPAYEXCL-UHFFFAOYSA-N 2 2 314.477 3.426 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349408821 434707477 /nfs/dbraw/zinc/70/74/77/434707477.db2.gz QFVXCXJFQGSPKS-HNNXBMFYSA-N 2 2 311.495 3.158 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349408821 434707483 /nfs/dbraw/zinc/70/74/83/434707483.db2.gz QFVXCXJFQGSPKS-HNNXBMFYSA-N 2 2 311.495 3.158 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccn(C)n1 ZINC000459767373 434707628 /nfs/dbraw/zinc/70/76/28/434707628.db2.gz WUAULCFCQTZFLR-SOLBZPMBSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccn(C)n1 ZINC000459767373 434707632 /nfs/dbraw/zinc/70/76/32/434707632.db2.gz WUAULCFCQTZFLR-SOLBZPMBSA-N 2 2 312.461 3.124 20 0 DGADLP Cc1cc(NCC[NH+]2CCSCC2)c2cccc(F)c2[nH+]1 ZINC000360884834 434718549 /nfs/dbraw/zinc/71/85/49/434718549.db2.gz UBSCUUYEYVVCCN-UHFFFAOYSA-N 2 2 305.422 3.143 20 0 DGADLP Cc1nc(N2CCC(C[NH+]3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000354385083 434744119 /nfs/dbraw/zinc/74/41/19/434744119.db2.gz LIZDOGRFRDNIIR-UHFFFAOYSA-N 2 2 302.466 3.104 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000411342253 434765964 /nfs/dbraw/zinc/76/59/64/434765964.db2.gz FIAOCTDOEPFVHV-HUUCEWRRSA-N 2 2 319.497 3.151 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000411342253 434765968 /nfs/dbraw/zinc/76/59/68/434765968.db2.gz FIAOCTDOEPFVHV-HUUCEWRRSA-N 2 2 319.497 3.151 20 0 DGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1c(C)[nH+]c2ccccn21 ZINC000460678082 434766366 /nfs/dbraw/zinc/76/63/66/434766366.db2.gz ZSQJKVNGIXJATE-UHFFFAOYSA-N 2 2 319.412 3.933 20 0 DGADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1F ZINC000371980302 434780115 /nfs/dbraw/zinc/78/01/15/434780115.db2.gz XLCUECTZTOONQM-WBVHZDCISA-N 2 2 317.408 3.347 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000411408380 434776127 /nfs/dbraw/zinc/77/61/27/434776127.db2.gz PEOQGFBSTAZXQW-INIZCTEOSA-N 2 2 313.445 3.114 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCC1(O)CCC1 ZINC000411408380 434776131 /nfs/dbraw/zinc/77/61/31/434776131.db2.gz PEOQGFBSTAZXQW-INIZCTEOSA-N 2 2 313.445 3.114 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000453053323 434784724 /nfs/dbraw/zinc/78/47/24/434784724.db2.gz FZIJJMGVNGOQQO-ZTFGCOKTSA-N 2 2 311.429 3.481 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453063601 434788327 /nfs/dbraw/zinc/78/83/27/434788327.db2.gz FAZPTDPYHUBNFL-BPQIPLTHSA-N 2 2 322.880 3.114 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453063601 434788334 /nfs/dbraw/zinc/78/83/34/434788334.db2.gz FAZPTDPYHUBNFL-BPQIPLTHSA-N 2 2 322.880 3.114 20 0 DGADLP C[N@H+](CCC[NH+]1CCCCC1)C[C@H]1OCCc2ccccc21 ZINC000444595086 434788887 /nfs/dbraw/zinc/78/88/87/434788887.db2.gz VJPQZLGRSGRXDS-LJQANCHMSA-N 2 2 302.462 3.108 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1OCCc2ccccc21 ZINC000444595086 434788890 /nfs/dbraw/zinc/78/88/90/434788890.db2.gz VJPQZLGRSGRXDS-LJQANCHMSA-N 2 2 302.462 3.108 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453063605 434789193 /nfs/dbraw/zinc/78/91/93/434789193.db2.gz FAZPTDPYHUBNFL-KBAYOESNSA-N 2 2 322.880 3.114 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453063605 434789198 /nfs/dbraw/zinc/78/91/98/434789198.db2.gz FAZPTDPYHUBNFL-KBAYOESNSA-N 2 2 322.880 3.114 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076949 434789556 /nfs/dbraw/zinc/78/95/56/434789556.db2.gz WVZBQKDWIWDKTE-LZQZEXGQSA-N 2 2 312.461 3.296 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076949 434789558 /nfs/dbraw/zinc/78/95/58/434789558.db2.gz WVZBQKDWIWDKTE-LZQZEXGQSA-N 2 2 312.461 3.296 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411641107 434812451 /nfs/dbraw/zinc/81/24/51/434812451.db2.gz WUBWGLILMIHTLB-INIZCTEOSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411641107 434812456 /nfs/dbraw/zinc/81/24/56/434812456.db2.gz WUBWGLILMIHTLB-INIZCTEOSA-N 2 2 317.408 3.397 20 0 DGADLP Cc1cccc2ncc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n21 ZINC000372405090 434821406 /nfs/dbraw/zinc/82/14/06/434821406.db2.gz RKQJQEKWKVVVBD-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccc2ncc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n21 ZINC000372405090 434821410 /nfs/dbraw/zinc/82/14/10/434821410.db2.gz RKQJQEKWKVVVBD-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP c1cc(C[N@H+](C2CC2)C2COC2)cc(C[NH+]2CCCCC2)c1 ZINC000411765885 434825822 /nfs/dbraw/zinc/82/58/22/434825822.db2.gz ANRMBLYQWMMPND-UHFFFAOYSA-N 2 2 300.446 3.036 20 0 DGADLP c1cc(C[N@@H+](C2CC2)C2COC2)cc(C[NH+]2CCCCC2)c1 ZINC000411765885 434825826 /nfs/dbraw/zinc/82/58/26/434825826.db2.gz ANRMBLYQWMMPND-UHFFFAOYSA-N 2 2 300.446 3.036 20 0 DGADLP CC[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCOC1 ZINC000453241083 434839495 /nfs/dbraw/zinc/83/94/95/434839495.db2.gz VFFKUHTWQVAXIL-CZUORRHYSA-N 2 2 319.836 3.430 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265841 434845500 /nfs/dbraw/zinc/84/55/00/434845500.db2.gz WWEUSBQKQFBKCV-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265841 434845502 /nfs/dbraw/zinc/84/55/02/434845502.db2.gz WWEUSBQKQFBKCV-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000453270207 434846160 /nfs/dbraw/zinc/84/61/60/434846160.db2.gz SBTJJYCXMYKCCP-OALUTQOASA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000453270207 434846163 /nfs/dbraw/zinc/84/61/63/434846163.db2.gz SBTJJYCXMYKCCP-OALUTQOASA-N 2 2 304.478 3.137 20 0 DGADLP OCC1([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC000412005409 434853226 /nfs/dbraw/zinc/85/32/26/434853226.db2.gz FEHNTRPPMYEWBN-GOSISDBHSA-N 2 2 313.445 3.157 20 0 DGADLP c1cn(CCC[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c[nH+]1 ZINC000412007266 434853799 /nfs/dbraw/zinc/85/37/99/434853799.db2.gz DASLZZFJKVWKRC-SFHVURJKSA-N 2 2 311.429 3.127 20 0 DGADLP c1cn(CCC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c[nH+]1 ZINC000412007266 434853801 /nfs/dbraw/zinc/85/38/01/434853801.db2.gz DASLZZFJKVWKRC-SFHVURJKSA-N 2 2 311.429 3.127 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)Nc1cc[nH+]c2ccncc12)[NH+](C)C ZINC000573195143 434880049 /nfs/dbraw/zinc/88/00/49/434880049.db2.gz XLXKTKXWTIAHCU-MGPUTAFESA-N 2 2 320.440 3.463 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000521822848 434896615 /nfs/dbraw/zinc/89/66/15/434896615.db2.gz XKFNZILOEOXXRF-FQEVSTJZSA-N 2 2 320.436 3.327 20 0 DGADLP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000554116636 434913862 /nfs/dbraw/zinc/91/38/62/434913862.db2.gz UUBZSTCREOWNDD-HWOWSKLDSA-N 2 2 312.379 3.234 20 0 DGADLP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000554116636 434913867 /nfs/dbraw/zinc/91/38/67/434913867.db2.gz UUBZSTCREOWNDD-HWOWSKLDSA-N 2 2 312.379 3.234 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119452 434870640 /nfs/dbraw/zinc/87/06/40/434870640.db2.gz FLSHFQHQAUSSGA-WOJBJXKFSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119452 434870643 /nfs/dbraw/zinc/87/06/43/434870643.db2.gz FLSHFQHQAUSSGA-WOJBJXKFSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000521119452 434870647 /nfs/dbraw/zinc/87/06/47/434870647.db2.gz FLSHFQHQAUSSGA-WOJBJXKFSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119452 434870651 /nfs/dbraw/zinc/87/06/51/434870651.db2.gz FLSHFQHQAUSSGA-WOJBJXKFSA-N 2 2 316.489 3.402 20 0 DGADLP O=C(/C=C/c1cccc(F)c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491859428 434871866 /nfs/dbraw/zinc/87/18/66/434871866.db2.gz NCRPREYOXZDZPV-SNAWJCMRSA-N 2 2 308.316 3.058 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638126944 434959498 /nfs/dbraw/zinc/95/94/98/434959498.db2.gz CQQRDUCUJFYOAS-MRXNPFEDSA-N 2 2 324.428 3.336 20 0 DGADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000523732330 434960432 /nfs/dbraw/zinc/96/04/32/434960432.db2.gz HQXOTBJPYOKZSW-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000523732330 434960439 /nfs/dbraw/zinc/96/04/39/434960439.db2.gz HQXOTBJPYOKZSW-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000463568166 434966376 /nfs/dbraw/zinc/96/63/76/434966376.db2.gz OETPADRBEMRJRO-GMBSWORKSA-N 2 2 302.462 3.045 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000463568166 434966382 /nfs/dbraw/zinc/96/63/82/434966382.db2.gz OETPADRBEMRJRO-GMBSWORKSA-N 2 2 302.462 3.045 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000638172000 434970174 /nfs/dbraw/zinc/97/01/74/434970174.db2.gz MZLRCZFFYAAQGS-DOMZBBRYSA-N 2 2 306.360 3.299 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000638172000 434970176 /nfs/dbraw/zinc/97/01/76/434970176.db2.gz MZLRCZFFYAAQGS-DOMZBBRYSA-N 2 2 306.360 3.299 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3n2C)C[C@@H]1n1cc[nH+]c1 ZINC000638171937 434971841 /nfs/dbraw/zinc/97/18/41/434971841.db2.gz MRDVSMHYUZUAFH-BEFAXECRSA-N 2 2 308.429 3.458 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C[C@@H]1n1cc[nH+]c1 ZINC000638171937 434971843 /nfs/dbraw/zinc/97/18/43/434971843.db2.gz MRDVSMHYUZUAFH-BEFAXECRSA-N 2 2 308.429 3.458 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638186493 434974340 /nfs/dbraw/zinc/97/43/40/434974340.db2.gz VFDUAYNECHBOOU-HIFRSBDPSA-N 2 2 309.404 3.202 20 0 DGADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)cc1O ZINC000637982362 434922329 /nfs/dbraw/zinc/92/23/29/434922329.db2.gz CUYNQBDBXHKBFM-UHFFFAOYSA-N 2 2 321.808 3.088 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)[nH]1 ZINC000637985531 434923638 /nfs/dbraw/zinc/92/36/38/434923638.db2.gz GVIJXBLQDLHVFC-INIZCTEOSA-N 2 2 310.445 3.116 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nccn1-c1ccccc1 ZINC000554374375 434924842 /nfs/dbraw/zinc/92/48/42/434924842.db2.gz RIDDXCRIVCFIKM-MRXNPFEDSA-N 2 2 324.472 3.397 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCCC2 ZINC000556610071 435014352 /nfs/dbraw/zinc/01/43/52/435014352.db2.gz XTOPYDALVAOWOQ-IAGOWNOFSA-N 2 2 317.477 3.437 20 0 DGADLP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000556610570 435015551 /nfs/dbraw/zinc/01/55/51/435015551.db2.gz XFICYHBRNGBWBR-HZPDHXFCSA-N 2 2 305.466 3.293 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C12CCC2 ZINC000638404339 435022889 /nfs/dbraw/zinc/02/28/89/435022889.db2.gz AMVRVVFJWKSBHZ-HOTGVXAUSA-N 2 2 305.466 3.379 20 0 DGADLP Nc1c(Cl)cc(Cl)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000638405360 435023355 /nfs/dbraw/zinc/02/33/55/435023355.db2.gz YKUIQMLDPNJVFI-UHFFFAOYSA-N 2 2 313.232 3.342 20 0 DGADLP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408423 435023912 /nfs/dbraw/zinc/02/39/12/435023912.db2.gz HGOSZNDIYYYZQG-WSTZPKSXSA-N 2 2 313.489 3.038 20 0 DGADLP CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408423 435023914 /nfs/dbraw/zinc/02/39/14/435023914.db2.gz HGOSZNDIYYYZQG-WSTZPKSXSA-N 2 2 313.489 3.038 20 0 DGADLP CO[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000638441358 435031171 /nfs/dbraw/zinc/03/11/71/435031171.db2.gz FVNAGTXRULXKPK-QGZVFWFLSA-N 2 2 301.434 3.290 20 0 DGADLP Cc1[nH]c(CNc2cccc(C[NH+]3CCSCC3)c2)[nH+]c1C ZINC000574466273 434980949 /nfs/dbraw/zinc/98/09/49/434980949.db2.gz WNBCJRBADYHSBL-UHFFFAOYSA-N 2 2 316.474 3.187 20 0 DGADLP OCc1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000638285604 434996606 /nfs/dbraw/zinc/99/66/06/434996606.db2.gz ILKRBHQPIMGQKC-QGZVFWFLSA-N 2 2 316.470 3.167 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCO3)CC2)cc1 ZINC000638310681 435002112 /nfs/dbraw/zinc/00/21/12/435002112.db2.gz RJAVBXXKENYZGN-SFHVURJKSA-N 2 2 322.880 3.463 20 0 DGADLP CC(C)(C[NH2+]CCC1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000638326140 435005827 /nfs/dbraw/zinc/00/58/27/435005827.db2.gz NDOZXUAWLNHHAW-UHFFFAOYSA-N 2 2 316.489 3.230 20 0 DGADLP CC(C)(C[NH2+]CCC1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000638326140 435005831 /nfs/dbraw/zinc/00/58/31/435005831.db2.gz NDOZXUAWLNHHAW-UHFFFAOYSA-N 2 2 316.489 3.230 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@H](C3CCCCC3)[NH+](C)C)cn2c1 ZINC000556403708 435006774 /nfs/dbraw/zinc/00/67/74/435006774.db2.gz FNGFXGIIYLFQRM-GOSISDBHSA-N 2 2 314.477 3.243 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000638701592 435073968 /nfs/dbraw/zinc/07/39/68/435073968.db2.gz WLEBYXTZDLJSSL-QGZVFWFLSA-N 2 2 322.412 3.359 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000638701591 435075109 /nfs/dbraw/zinc/07/51/09/435075109.db2.gz WLEBYXTZDLJSSL-KRWDZBQOSA-N 2 2 322.412 3.359 20 0 DGADLP CC(C)O[C@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000638723255 435078695 /nfs/dbraw/zinc/07/86/95/435078695.db2.gz ZEZZMVGVLNECBF-QZTJIDSGSA-N 2 2 322.518 3.180 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@@H+]1C1CC1 ZINC000638759966 435084299 /nfs/dbraw/zinc/08/42/99/435084299.db2.gz OLARZOKRAMKSCH-SKDRFNHKSA-N 2 2 314.260 3.290 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@H+]1C1CC1 ZINC000638759966 435084301 /nfs/dbraw/zinc/08/43/01/435084301.db2.gz OLARZOKRAMKSCH-SKDRFNHKSA-N 2 2 314.260 3.290 20 0 DGADLP c1nc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2[nH]1 ZINC000531335338 435086315 /nfs/dbraw/zinc/08/63/15/435086315.db2.gz TTWHSSSLHRXGDF-UHFFFAOYSA-N 2 2 312.461 3.450 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814543 435095046 /nfs/dbraw/zinc/09/50/46/435095046.db2.gz DJVALGZZCKPZAW-FNHZYXHNSA-N 2 2 310.445 3.428 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814543 435095048 /nfs/dbraw/zinc/09/50/48/435095048.db2.gz DJVALGZZCKPZAW-FNHZYXHNSA-N 2 2 310.445 3.428 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@@H](C)C2 ZINC000493054937 435100186 /nfs/dbraw/zinc/10/01/86/435100186.db2.gz IQZOELPECFNJLI-QGTPRVQTSA-N 2 2 304.503 3.255 20 0 DGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000578653325 435100975 /nfs/dbraw/zinc/10/09/75/435100975.db2.gz DDXHBWKIUQWHHI-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000578653325 435100979 /nfs/dbraw/zinc/10/09/79/435100979.db2.gz DDXHBWKIUQWHHI-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]4C[C@H]43)[nH+]c2)CC1 ZINC000558699652 435106536 /nfs/dbraw/zinc/10/65/36/435106536.db2.gz BCXHOJWMSBWENM-BMGDILEWSA-N 2 2 314.477 3.213 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000531676705 435108668 /nfs/dbraw/zinc/10/86/68/435108668.db2.gz QECWCDYHUIBFRR-IAGOWNOFSA-N 2 2 320.477 3.011 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531676705 435108673 /nfs/dbraw/zinc/10/86/73/435108673.db2.gz QECWCDYHUIBFRR-IAGOWNOFSA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000531684630 435109534 /nfs/dbraw/zinc/10/95/34/435109534.db2.gz SSYWIDUFKYABNP-CVEARBPZSA-N 2 2 301.434 3.454 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732032 435114875 /nfs/dbraw/zinc/11/48/75/435114875.db2.gz NGGDBZJOYSCCOF-YWZLYKJASA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732032 435114880 /nfs/dbraw/zinc/11/48/80/435114880.db2.gz NGGDBZJOYSCCOF-YWZLYKJASA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCC1 ZINC000467306498 435117218 /nfs/dbraw/zinc/11/72/18/435117218.db2.gz GYQWRDYRIPFULR-CYBMUJFWSA-N 2 2 300.368 3.322 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCOc2cccc(C(C)(C)C)c2)n1C ZINC000579007292 435124549 /nfs/dbraw/zinc/12/45/49/435124549.db2.gz ZCWSBACYLRBSHR-UHFFFAOYSA-N 2 2 301.434 3.195 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000468963220 435129042 /nfs/dbraw/zinc/12/90/42/435129042.db2.gz MHNHILZUCWVTSP-GBESFXJTSA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000468963220 435129046 /nfs/dbraw/zinc/12/90/46/435129046.db2.gz MHNHILZUCWVTSP-GBESFXJTSA-N 3 2 309.542 3.063 20 0 DGADLP Clc1oc2ccccc2c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494408246 435196121 /nfs/dbraw/zinc/19/61/21/435196121.db2.gz WQYWBFQUAZVLAB-LLVKDONJSA-N 2 2 301.777 3.387 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000475682162 435207804 /nfs/dbraw/zinc/20/78/04/435207804.db2.gz OGBJGKQHSVVASS-BHIYHBOVSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000475682162 435207807 /nfs/dbraw/zinc/20/78/07/435207807.db2.gz OGBJGKQHSVVASS-BHIYHBOVSA-N 2 2 318.505 3.426 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968405 435203053 /nfs/dbraw/zinc/20/30/53/435203053.db2.gz BNGGPNHJBARDIM-LJQANCHMSA-N 2 2 324.472 3.450 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968405 435203058 /nfs/dbraw/zinc/20/30/58/435203058.db2.gz BNGGPNHJBARDIM-LJQANCHMSA-N 2 2 324.472 3.450 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968405 435203063 /nfs/dbraw/zinc/20/30/63/435203063.db2.gz BNGGPNHJBARDIM-LJQANCHMSA-N 2 2 324.472 3.450 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968405 435203065 /nfs/dbraw/zinc/20/30/65/435203065.db2.gz BNGGPNHJBARDIM-LJQANCHMSA-N 2 2 324.472 3.450 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240588 435152476 /nfs/dbraw/zinc/15/24/76/435152476.db2.gz DIBVWGLCUZPKFK-RDJZCZTQSA-N 2 2 300.446 3.364 20 0 DGADLP CC[C@@](C)(C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)OC ZINC000639121020 435163466 /nfs/dbraw/zinc/16/34/66/435163466.db2.gz LYTSDADUUOBEBE-NRXISQOPSA-N 2 2 322.415 3.196 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCOCC1 ZINC000532465194 435167701 /nfs/dbraw/zinc/16/77/01/435167701.db2.gz JEYBRTJRQKKAGF-QGZVFWFLSA-N 2 2 317.408 3.306 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532516788 435174093 /nfs/dbraw/zinc/17/40/93/435174093.db2.gz SBHPTXHPYSRVNO-YSIASYRMSA-N 2 2 318.505 3.284 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532516788 435174098 /nfs/dbraw/zinc/17/40/98/435174098.db2.gz SBHPTXHPYSRVNO-YSIASYRMSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@@](C)(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157161 435176904 /nfs/dbraw/zinc/17/69/04/435176904.db2.gz SACUCGLALKCBBS-YJBOKZPZSA-N 2 2 305.466 3.214 20 0 DGADLP CC[C@@](C)(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157161 435176906 /nfs/dbraw/zinc/17/69/06/435176906.db2.gz SACUCGLALKCBBS-YJBOKZPZSA-N 2 2 305.466 3.214 20 0 DGADLP Cn1c2ccc(NC(=O)CCC(C)(C)[NH3+])cc2[nH+]c1C(C)(C)C ZINC000648160198 435215355 /nfs/dbraw/zinc/21/53/55/435215355.db2.gz ILQFCALOQKLYRP-UHFFFAOYSA-N 2 2 316.449 3.327 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295826 435233353 /nfs/dbraw/zinc/23/33/53/435233353.db2.gz NUHXDNKISWMZAL-JXFKEZNVSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295826 435233354 /nfs/dbraw/zinc/23/33/54/435233354.db2.gz NUHXDNKISWMZAL-JXFKEZNVSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1[nH]c(CN[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)[nH+]c1C ZINC000583883262 435251809 /nfs/dbraw/zinc/25/18/09/435251809.db2.gz LMYDAOLCJZHOLP-GOSISDBHSA-N 2 2 314.477 3.273 20 0 DGADLP Cc1[nH]c(CN[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[nH+]c1C ZINC000583883262 435251814 /nfs/dbraw/zinc/25/18/14/435251814.db2.gz LMYDAOLCJZHOLP-GOSISDBHSA-N 2 2 314.477 3.273 20 0 DGADLP COc1ncc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000533558692 435246399 /nfs/dbraw/zinc/24/63/99/435246399.db2.gz NAFGFUXUWHNYHA-UHFFFAOYSA-N 2 2 311.857 3.048 20 0 DGADLP COc1ncc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000533558692 435246401 /nfs/dbraw/zinc/24/64/01/435246401.db2.gz NAFGFUXUWHNYHA-UHFFFAOYSA-N 2 2 311.857 3.048 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031696 435268069 /nfs/dbraw/zinc/26/80/69/435268069.db2.gz BUUJRDXUWGMUMB-BBRMVZONSA-N 2 2 316.848 3.078 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031696 435268075 /nfs/dbraw/zinc/26/80/75/435268075.db2.gz BUUJRDXUWGMUMB-BBRMVZONSA-N 2 2 316.848 3.078 20 0 DGADLP COc1cccc(C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374842 435270896 /nfs/dbraw/zinc/27/08/96/435270896.db2.gz LNZYLMNCCXRDAR-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000534237285 435271972 /nfs/dbraw/zinc/27/19/72/435271972.db2.gz GHKBMQPKOPNLTI-KDOFPFPSSA-N 2 2 322.880 3.275 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000639375854 435272393 /nfs/dbraw/zinc/27/23/93/435272393.db2.gz HVGMLUBJOUGZMN-UHFFFAOYSA-N 2 2 324.472 3.470 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000639380436 435276054 /nfs/dbraw/zinc/27/60/54/435276054.db2.gz YSXPSBVCPBXFAB-UHFFFAOYSA-N 2 2 312.461 3.383 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000639380534 435276395 /nfs/dbraw/zinc/27/63/95/435276395.db2.gz ZXQXGLVBGATAFQ-UHFFFAOYSA-N 3 2 318.490 3.240 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991230 435279816 /nfs/dbraw/zinc/27/98/16/435279816.db2.gz RJYHAAADZCIWBA-GDBMZVCRSA-N 2 2 319.449 3.009 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991230 435279823 /nfs/dbraw/zinc/27/98/23/435279823.db2.gz RJYHAAADZCIWBA-GDBMZVCRSA-N 2 2 319.449 3.009 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)CCO1 ZINC000648385184 435282091 /nfs/dbraw/zinc/28/20/91/435282091.db2.gz HSMITPAMUPUSHP-SJLPKXTDSA-N 2 2 317.477 3.116 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000643295488 435293163 /nfs/dbraw/zinc/29/31/63/435293163.db2.gz NZZWLVPRYFIAJW-SFHVURJKSA-N 2 2 316.489 3.324 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000643295488 435293168 /nfs/dbraw/zinc/29/31/68/435293168.db2.gz NZZWLVPRYFIAJW-SFHVURJKSA-N 2 2 316.489 3.324 20 0 DGADLP Clc1cnc2oc(C[NH2+]CCCCn3cc[nH+]c3)cc2c1 ZINC000648431621 435297476 /nfs/dbraw/zinc/29/74/76/435297476.db2.gz LITJWXHFTIQVAG-UHFFFAOYSA-N 2 2 304.781 3.248 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320245 435302777 /nfs/dbraw/zinc/30/27/77/435302777.db2.gz RMWOGWXIWOCYNG-AZUAARDMSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320245 435302784 /nfs/dbraw/zinc/30/27/84/435302784.db2.gz RMWOGWXIWOCYNG-AZUAARDMSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000643032343 435263138 /nfs/dbraw/zinc/26/31/38/435263138.db2.gz AZFHCVKVHXBVTO-KGLIPLIRSA-N 2 2 316.493 3.260 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000639496243 435320632 /nfs/dbraw/zinc/32/06/32/435320632.db2.gz VVBXEKZTIDLCQS-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000639496243 435320637 /nfs/dbraw/zinc/32/06/37/435320637.db2.gz VVBXEKZTIDLCQS-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000639496243 435320640 /nfs/dbraw/zinc/32/06/40/435320640.db2.gz VVBXEKZTIDLCQS-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639496243 435320643 /nfs/dbraw/zinc/32/06/43/435320643.db2.gz VVBXEKZTIDLCQS-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1cc(C)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)[nH+]1 ZINC000639508447 435324966 /nfs/dbraw/zinc/32/49/66/435324966.db2.gz LZNXHFIDKNSCGS-MSOLQXFVSA-N 2 2 301.478 3.454 20 0 DGADLP Cc1cc(C)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)[nH+]1 ZINC000639508447 435324975 /nfs/dbraw/zinc/32/49/75/435324975.db2.gz LZNXHFIDKNSCGS-MSOLQXFVSA-N 2 2 301.478 3.454 20 0 DGADLP Cc1cc(C)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000639511063 435326758 /nfs/dbraw/zinc/32/67/58/435326758.db2.gz IILAILKDGBSYCC-HXUWFJFHSA-N 2 2 310.441 3.489 20 0 DGADLP Cc1cc(C)c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000639511063 435326762 /nfs/dbraw/zinc/32/67/62/435326762.db2.gz IILAILKDGBSYCC-HXUWFJFHSA-N 2 2 310.441 3.489 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457564 435329147 /nfs/dbraw/zinc/32/91/47/435329147.db2.gz MIRFCIURLKIXKB-UFYCRDLUSA-N 3 2 315.505 3.019 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457564 435329150 /nfs/dbraw/zinc/32/91/50/435329150.db2.gz MIRFCIURLKIXKB-UFYCRDLUSA-N 3 2 315.505 3.019 20 0 DGADLP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000643465985 435329816 /nfs/dbraw/zinc/32/98/16/435329816.db2.gz HGHKDKLTAQNSEJ-BIGNPOOSSA-N 2 2 316.342 3.253 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000648528999 435333907 /nfs/dbraw/zinc/33/39/07/435333907.db2.gz XSCLXRJAIIOKFL-AQNXPRMDSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000648528999 435333911 /nfs/dbraw/zinc/33/39/11/435333911.db2.gz XSCLXRJAIIOKFL-AQNXPRMDSA-N 2 2 316.489 3.444 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)CCO2 ZINC000643482452 435334663 /nfs/dbraw/zinc/33/46/63/435334663.db2.gz OOERNMQZFOIKSS-BBWFWOEESA-N 2 2 304.434 3.029 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643506978 435338359 /nfs/dbraw/zinc/33/83/59/435338359.db2.gz OMHFCIZFDLITMU-OAHLLOKOSA-N 2 2 309.251 3.168 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000643521769 435342321 /nfs/dbraw/zinc/34/23/21/435342321.db2.gz BKNGZZVSJQAIPG-CRAIPNDOSA-N 2 2 317.383 3.181 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OCC ZINC000643537281 435345604 /nfs/dbraw/zinc/34/56/04/435345604.db2.gz CMCUZVRCTDPQQU-JYJNAYRXSA-N 2 2 324.440 3.225 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(Br)c1 ZINC000643537195 435346439 /nfs/dbraw/zinc/34/64/39/435346439.db2.gz AOECSHGRPLTRSF-MELADBBJSA-N 2 2 315.230 3.190 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCCO2 ZINC000643537220 435347372 /nfs/dbraw/zinc/34/73/72/435347372.db2.gz BHTAVRRKXYSKCW-YQQAZPJKSA-N 2 2 306.425 3.313 20 0 DGADLP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000512254341 435350850 /nfs/dbraw/zinc/35/08/50/435350850.db2.gz VCUFCHQYRJKRCB-CURBQSOFSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000512254341 435350854 /nfs/dbraw/zinc/35/08/54/435350854.db2.gz VCUFCHQYRJKRCB-CURBQSOFSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000512254341 435350857 /nfs/dbraw/zinc/35/08/57/435350857.db2.gz VCUFCHQYRJKRCB-CURBQSOFSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000512254341 435350862 /nfs/dbraw/zinc/35/08/62/435350862.db2.gz VCUFCHQYRJKRCB-CURBQSOFSA-N 2 2 314.473 3.262 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)CCCC[NH3+])cc3)[nH+]c12 ZINC000567779716 435355022 /nfs/dbraw/zinc/35/50/22/435355022.db2.gz VIWJLUCPIMDRQS-UHFFFAOYSA-N 2 2 322.412 3.377 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000479848156 435356770 /nfs/dbraw/zinc/35/67/70/435356770.db2.gz FGLOJIHYPBLFGY-RTBURBONSA-N 2 2 304.478 3.474 20 0 DGADLP CC(C)(C)[N@@H+]1CCCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000535822342 435356923 /nfs/dbraw/zinc/35/69/23/435356923.db2.gz NBHVHGLJLLBSOF-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP CC(C)(C)[N@H+]1CCCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000535822342 435356929 /nfs/dbraw/zinc/35/69/29/435356929.db2.gz NBHVHGLJLLBSOF-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000512496727 435361543 /nfs/dbraw/zinc/36/15/43/435361543.db2.gz NEOXATYIYYEPAO-IUODEOHRSA-N 2 2 324.415 3.337 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000512496727 435361545 /nfs/dbraw/zinc/36/15/45/435361545.db2.gz NEOXATYIYYEPAO-IUODEOHRSA-N 2 2 324.415 3.337 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C1 ZINC000512567959 435362169 /nfs/dbraw/zinc/36/21/69/435362169.db2.gz DSZARQSFPUOTMB-XJKSGUPXSA-N 2 2 305.853 3.225 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C1 ZINC000512567959 435362172 /nfs/dbraw/zinc/36/21/72/435362172.db2.gz DSZARQSFPUOTMB-XJKSGUPXSA-N 2 2 305.853 3.225 20 0 DGADLP CC1=Nc2ccccc2C12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000639715679 435399948 /nfs/dbraw/zinc/39/99/48/435399948.db2.gz RKARXCNATMJBLF-UHFFFAOYSA-N 2 2 308.429 3.413 20 0 DGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000648725550 435400499 /nfs/dbraw/zinc/40/04/99/435400499.db2.gz RILOODALCRZLCE-CQSZACIVSA-N 2 2 323.400 3.221 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637242799 435410693 /nfs/dbraw/zinc/41/06/93/435410693.db2.gz NITZDNHDDYOVDD-QGZVFWFLSA-N 2 2 309.413 3.159 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637242799 435410697 /nfs/dbraw/zinc/41/06/97/435410697.db2.gz NITZDNHDDYOVDD-QGZVFWFLSA-N 2 2 309.413 3.159 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000481310768 435418588 /nfs/dbraw/zinc/41/85/88/435418588.db2.gz UHSLIKGWZUIYQZ-LJQANCHMSA-N 2 2 322.468 3.441 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000537015588 435421700 /nfs/dbraw/zinc/42/17/00/435421700.db2.gz FGPGVIXDQAOIMU-WBMJQRKESA-N 2 2 323.278 3.368 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000537015588 435421705 /nfs/dbraw/zinc/42/17/05/435421705.db2.gz FGPGVIXDQAOIMU-WBMJQRKESA-N 2 2 323.278 3.368 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639619141 435366400 /nfs/dbraw/zinc/36/64/00/435366400.db2.gz JYFIKQWSNBGTJB-ZBFHGGJFSA-N 2 2 313.445 3.407 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000536066330 435369134 /nfs/dbraw/zinc/36/91/34/435369134.db2.gz CQNRLYUBVQLBMO-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000536066330 435369139 /nfs/dbraw/zinc/36/91/39/435369139.db2.gz CQNRLYUBVQLBMO-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066678 435370639 /nfs/dbraw/zinc/37/06/39/435370639.db2.gz HOLGITVHVNPKOB-UKRRQHHQSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066678 435370653 /nfs/dbraw/zinc/37/06/53/435370653.db2.gz HOLGITVHVNPKOB-UKRRQHHQSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000480224589 435372384 /nfs/dbraw/zinc/37/23/84/435372384.db2.gz JPKXCGKURCHFDI-FGTMMUONSA-N 2 2 318.505 3.442 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000480224589 435372389 /nfs/dbraw/zinc/37/23/89/435372389.db2.gz JPKXCGKURCHFDI-FGTMMUONSA-N 2 2 318.505 3.442 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000480224594 435372396 /nfs/dbraw/zinc/37/23/96/435372396.db2.gz JPKXCGKURCHFDI-KZNAEPCWSA-N 2 2 318.505 3.442 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000568051681 435383965 /nfs/dbraw/zinc/38/39/65/435383965.db2.gz YBOSLDJPILLXTB-VXGBXAGGSA-N 2 2 319.193 3.087 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000639796498 435423567 /nfs/dbraw/zinc/42/35/67/435423567.db2.gz TYQIJLUUNLUNBX-GUYCJALGSA-N 2 2 318.465 3.283 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]CC2(OC)CCCC2)[NH+](C)C)cc1 ZINC000480661610 435388135 /nfs/dbraw/zinc/38/81/35/435388135.db2.gz KPWIBPJOOYCORE-GOSISDBHSA-N 2 2 304.478 3.401 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000480754305 435393827 /nfs/dbraw/zinc/39/38/27/435393827.db2.gz DHJIRVOLIMMTDS-AABGKKOBSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000480754305 435393829 /nfs/dbraw/zinc/39/38/29/435393829.db2.gz DHJIRVOLIMMTDS-AABGKKOBSA-N 2 2 316.489 3.302 20 0 DGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000648721933 435397586 /nfs/dbraw/zinc/39/75/86/435397586.db2.gz SQWIWVDOYOPNFH-LLVKDONJSA-N 2 2 311.389 3.220 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C)[nH+]1 ZINC000639879404 435445001 /nfs/dbraw/zinc/44/50/01/435445001.db2.gz WNKHJEFDHUVAIP-UHFFFAOYSA-N 2 2 312.461 3.325 20 0 DGADLP Cc1cc(C)c(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c(C)[nH+]1 ZINC000639879404 435445002 /nfs/dbraw/zinc/44/50/02/435445002.db2.gz WNKHJEFDHUVAIP-UHFFFAOYSA-N 2 2 312.461 3.325 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)Nc3cc(C)cc(C[NH+](C)C)c3)ccn12 ZINC000514950328 435452002 /nfs/dbraw/zinc/45/20/02/435452002.db2.gz NXMHLZDRPMOHDB-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000568643065 435457268 /nfs/dbraw/zinc/45/72/68/435457268.db2.gz ANQBTKRZCVPHNK-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000568643065 435457277 /nfs/dbraw/zinc/45/72/77/435457277.db2.gz ANQBTKRZCVPHNK-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000515094080 435464269 /nfs/dbraw/zinc/46/42/69/435464269.db2.gz ZTJSCABUPURQNT-XYVMCAHJSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000515094080 435464273 /nfs/dbraw/zinc/46/42/73/435464273.db2.gz ZTJSCABUPURQNT-XYVMCAHJSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000568837670 435475438 /nfs/dbraw/zinc/47/54/38/435475438.db2.gz RLVNHUKHFXVRSO-KCITZHQASA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000568837670 435475441 /nfs/dbraw/zinc/47/54/41/435475441.db2.gz RLVNHUKHFXVRSO-KCITZHQASA-N 2 2 302.462 3.197 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCC[C@@H]3C)c2cc1C ZINC000568873101 435478701 /nfs/dbraw/zinc/47/87/01/435478701.db2.gz KNBZLLWIOXPOMR-RRQGHBQHSA-N 2 2 315.461 3.040 20 0 DGADLP c1ccc2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccnc2c1 ZINC000569188507 435510738 /nfs/dbraw/zinc/51/07/38/435510738.db2.gz ARWHFKJFGJPOFF-QGZVFWFLSA-N 2 2 305.381 3.283 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000538723893 435518026 /nfs/dbraw/zinc/51/80/26/435518026.db2.gz FTEWHXORAVGMQX-GUDVDZBRSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000538723893 435518031 /nfs/dbraw/zinc/51/80/31/435518031.db2.gz FTEWHXORAVGMQX-GUDVDZBRSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000539057623 435536714 /nfs/dbraw/zinc/53/67/14/435536714.db2.gz CVCALZSBXFIOHB-JLSDUUJJSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000539057623 435536718 /nfs/dbraw/zinc/53/67/18/435536718.db2.gz CVCALZSBXFIOHB-JLSDUUJJSA-N 2 2 316.493 3.420 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000515464112 435485620 /nfs/dbraw/zinc/48/56/20/435485620.db2.gz IYXGUDKLKQAPQR-KXBFYZLASA-N 2 2 313.445 3.026 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000515464112 435485629 /nfs/dbraw/zinc/48/56/29/435485629.db2.gz IYXGUDKLKQAPQR-KXBFYZLASA-N 2 2 313.445 3.026 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964792 435488439 /nfs/dbraw/zinc/48/84/39/435488439.db2.gz SZOCYTBOVKKKQJ-GPMSIDNRSA-N 2 2 318.505 3.472 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964792 435488442 /nfs/dbraw/zinc/48/84/42/435488442.db2.gz SZOCYTBOVKKKQJ-GPMSIDNRSA-N 2 2 318.505 3.472 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(C(C)C)CC3)c2cc1C ZINC000568976082 435488849 /nfs/dbraw/zinc/48/88/49/435488849.db2.gz ROYKRFRBVWNQTD-INIZCTEOSA-N 2 2 315.461 3.040 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000515500147 435489671 /nfs/dbraw/zinc/48/96/71/435489671.db2.gz QFNWDCDEHCMEHR-CVEARBPZSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000515500147 435489675 /nfs/dbraw/zinc/48/96/75/435489675.db2.gz QFNWDCDEHCMEHR-CVEARBPZSA-N 2 2 312.461 3.346 20 0 DGADLP CCOc1ccccc1OCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017751 435490558 /nfs/dbraw/zinc/49/05/58/435490558.db2.gz LGEJYKXXABBZGZ-UHFFFAOYSA-N 2 2 320.477 3.270 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)s1 ZINC000515615169 435495896 /nfs/dbraw/zinc/49/58/96/435495896.db2.gz WMALXPCJOVYDIC-DOTOQJQBSA-N 2 2 304.434 3.376 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)s1 ZINC000515615169 435495898 /nfs/dbraw/zinc/49/58/98/435495898.db2.gz WMALXPCJOVYDIC-DOTOQJQBSA-N 2 2 304.434 3.376 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000538392167 435496623 /nfs/dbraw/zinc/49/66/23/435496623.db2.gz NHEOGZZPJWVYNW-YJBOKZPZSA-N 2 2 317.477 3.428 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949552 435575580 /nfs/dbraw/zinc/57/55/80/435575580.db2.gz BMFVVTBTNRQOLA-PXAZEXFGSA-N 2 2 324.415 3.195 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949552 435575583 /nfs/dbraw/zinc/57/55/83/435575583.db2.gz BMFVVTBTNRQOLA-PXAZEXFGSA-N 2 2 324.415 3.195 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000485724658 435577472 /nfs/dbraw/zinc/57/74/72/435577472.db2.gz ADMUHFFETHDIPE-QEJZJMRPSA-N 2 2 300.368 3.262 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000485724658 435577474 /nfs/dbraw/zinc/57/74/74/435577474.db2.gz ADMUHFFETHDIPE-QEJZJMRPSA-N 2 2 300.368 3.262 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000649408905 435581266 /nfs/dbraw/zinc/58/12/66/435581266.db2.gz GCLSOKHCPCXFOY-UHFFFAOYSA-N 2 2 317.458 3.428 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000649408905 435581268 /nfs/dbraw/zinc/58/12/68/435581268.db2.gz GCLSOKHCPCXFOY-UHFFFAOYSA-N 2 2 317.458 3.428 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000570030224 435581497 /nfs/dbraw/zinc/58/14/97/435581497.db2.gz VQXPXZMLHNRRPN-UZLBHIALSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000570030224 435581502 /nfs/dbraw/zinc/58/15/02/435581502.db2.gz VQXPXZMLHNRRPN-UZLBHIALSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@@H]1C[NH+](CCC[N@@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000517205439 435582366 /nfs/dbraw/zinc/58/23/66/435582366.db2.gz ZNEAVDKOXIFWSE-CHWSQXEVSA-N 2 2 310.379 3.331 20 0 DGADLP C[C@@H]1C[NH+](CCC[N@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000517205439 435582370 /nfs/dbraw/zinc/58/23/70/435582370.db2.gz ZNEAVDKOXIFWSE-CHWSQXEVSA-N 2 2 310.379 3.331 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000649415264 435583785 /nfs/dbraw/zinc/58/37/85/435583785.db2.gz SJIWFUVSOLSRTR-GDBMZVCRSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000649415264 435583791 /nfs/dbraw/zinc/58/37/91/435583791.db2.gz SJIWFUVSOLSRTR-GDBMZVCRSA-N 2 2 307.507 3.450 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1F ZINC000570051474 435585543 /nfs/dbraw/zinc/58/55/43/435585543.db2.gz YYEFWRKZBGBDEE-GOSISDBHSA-N 2 2 302.393 3.186 20 0 DGADLP Cc1[nH+]c2cc(-c3cccc(OCC[NH+](C)C)c3)ccc2n1C ZINC000649431112 435587170 /nfs/dbraw/zinc/58/71/70/435587170.db2.gz GIQRQWDMRBBISR-UHFFFAOYSA-N 2 2 309.413 3.489 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000569495682 435538181 /nfs/dbraw/zinc/53/81/81/435538181.db2.gz KGFAEJCPZAECIR-QGZVFWFLSA-N 2 2 301.459 3.143 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000569495682 435538190 /nfs/dbraw/zinc/53/81/90/435538190.db2.gz KGFAEJCPZAECIR-QGZVFWFLSA-N 2 2 301.459 3.143 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC000484135087 435540028 /nfs/dbraw/zinc/54/00/28/435540028.db2.gz BOIIJXXOBTTYGF-KBXCAEBGSA-N 2 2 304.478 3.231 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000484130051 435540183 /nfs/dbraw/zinc/54/01/83/435540183.db2.gz DHUUUMILWKRMDI-AZUAARDMSA-N 2 2 318.505 3.202 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@H](C)CO1 ZINC000517755359 435609580 /nfs/dbraw/zinc/60/95/80/435609580.db2.gz VJTZBEXJYCWMIW-APWZRJJASA-N 2 2 313.445 3.123 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)CO1 ZINC000517755359 435609584 /nfs/dbraw/zinc/60/95/84/435609584.db2.gz VJTZBEXJYCWMIW-APWZRJJASA-N 2 2 313.445 3.123 20 0 DGADLP C[C@@H](C[NH2+]C/C=C/c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000486925683 435621955 /nfs/dbraw/zinc/62/19/55/435621955.db2.gz MOJZRTGZKMURJX-BDUNBXCCSA-N 2 2 307.441 3.131 20 0 DGADLP C[C@@H](C[NH2+]C/C=C/c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000486925683 435621959 /nfs/dbraw/zinc/62/19/59/435621959.db2.gz MOJZRTGZKMURJX-BDUNBXCCSA-N 2 2 307.441 3.131 20 0 DGADLP C[C@@H](C[NH2+]C/C=C\c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000486925684 435622420 /nfs/dbraw/zinc/62/24/20/435622420.db2.gz MOJZRTGZKMURJX-CHYADLBTSA-N 2 2 307.441 3.131 20 0 DGADLP C[C@@H](C[NH2+]C/C=C\c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000486925684 435622424 /nfs/dbraw/zinc/62/24/24/435622424.db2.gz MOJZRTGZKMURJX-CHYADLBTSA-N 2 2 307.441 3.131 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000570520836 435626617 /nfs/dbraw/zinc/62/66/17/435626617.db2.gz RUVGTDJVEJOAEE-GOSISDBHSA-N 2 2 321.534 3.129 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000570520836 435626618 /nfs/dbraw/zinc/62/66/18/435626618.db2.gz RUVGTDJVEJOAEE-GOSISDBHSA-N 2 2 321.534 3.129 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000649574564 435629021 /nfs/dbraw/zinc/62/90/21/435629021.db2.gz OFLNVBPCHQOFSE-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000649574564 435629024 /nfs/dbraw/zinc/62/90/24/435629024.db2.gz OFLNVBPCHQOFSE-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570607598 435634976 /nfs/dbraw/zinc/63/49/76/435634976.db2.gz FDGRJFIYFMKRRI-RYUDHWBXSA-N 2 2 305.372 3.156 20 0 DGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570607598 435634979 /nfs/dbraw/zinc/63/49/79/435634979.db2.gz FDGRJFIYFMKRRI-RYUDHWBXSA-N 2 2 305.372 3.156 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C(C)C)cc1 ZINC000540317758 435594662 /nfs/dbraw/zinc/59/46/62/435594662.db2.gz FILZKINEWWSKGO-QZTJIDSGSA-N 2 2 322.518 3.419 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000570279586 435605313 /nfs/dbraw/zinc/60/53/13/435605313.db2.gz IVINNOUAHPYDHR-QWHCGFSZSA-N 2 2 314.389 3.121 20 0 DGADLP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000570804887 435651256 /nfs/dbraw/zinc/65/12/56/435651256.db2.gz FYQJYJZRPHICFC-PHIMTYICSA-N 2 2 317.776 3.203 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC34CCCC4)CC2)cc1 ZINC000649658588 435658728 /nfs/dbraw/zinc/65/87/28/435658728.db2.gz QNRZOSCCTOECFQ-UHFFFAOYSA-N 2 2 313.489 3.217 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC34CCCC4)CC2)cc1 ZINC000649658588 435658731 /nfs/dbraw/zinc/65/87/31/435658731.db2.gz QNRZOSCCTOECFQ-UHFFFAOYSA-N 2 2 313.489 3.217 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000548068399 435664701 /nfs/dbraw/zinc/66/47/01/435664701.db2.gz GIWYXROAAQPQDM-UHFFFAOYSA-N 2 2 303.356 3.436 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)cc2)c1C ZINC000519178642 435672549 /nfs/dbraw/zinc/67/25/49/435672549.db2.gz MNHMCDGWGYGNCL-LBPRGKRZSA-N 2 2 323.400 3.030 20 0 DGADLP Cc1ccccc1C[N@@H+]1CCCN(CCc2cc[nH+]cc2C)CC1 ZINC000645771895 435685300 /nfs/dbraw/zinc/68/53/00/435685300.db2.gz NPRKROQXZJDUAD-UHFFFAOYSA-N 2 2 323.484 3.449 20 0 DGADLP Cc1ccccc1C[N@H+]1CCCN(CCc2cc[nH+]cc2C)CC1 ZINC000645771895 435685303 /nfs/dbraw/zinc/68/53/03/435685303.db2.gz NPRKROQXZJDUAD-UHFFFAOYSA-N 2 2 323.484 3.449 20 0 DGADLP Fc1cccc(F)c1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000645807226 435694080 /nfs/dbraw/zinc/69/40/80/435694080.db2.gz NRCLMGSEKSRIIY-OAHLLOKOSA-N 2 2 308.416 3.458 20 0 DGADLP Fc1cccc(F)c1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000645807226 435694083 /nfs/dbraw/zinc/69/40/83/435694083.db2.gz NRCLMGSEKSRIIY-OAHLLOKOSA-N 2 2 308.416 3.458 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709192 435700738 /nfs/dbraw/zinc/70/07/38/435700738.db2.gz VJVVKNMGYYRGQK-LJQANCHMSA-N 2 2 324.468 3.242 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709192 435700741 /nfs/dbraw/zinc/70/07/41/435700741.db2.gz VJVVKNMGYYRGQK-LJQANCHMSA-N 2 2 324.468 3.242 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709192 435700749 /nfs/dbraw/zinc/70/07/49/435700749.db2.gz VJVVKNMGYYRGQK-LJQANCHMSA-N 2 2 324.468 3.242 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709192 435700756 /nfs/dbraw/zinc/70/07/56/435700756.db2.gz VJVVKNMGYYRGQK-LJQANCHMSA-N 2 2 324.468 3.242 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000520230723 435730887 /nfs/dbraw/zinc/73/08/87/435730887.db2.gz ZYRPWPGLZQSCHF-UYAOXDASSA-N 2 2 322.452 3.404 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000520230723 435730891 /nfs/dbraw/zinc/73/08/91/435730891.db2.gz ZYRPWPGLZQSCHF-UYAOXDASSA-N 2 2 322.452 3.404 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655698097 435731734 /nfs/dbraw/zinc/73/17/34/435731734.db2.gz WHQPYRSXMDMHBU-AEFFLSMTSA-N 2 2 302.462 3.207 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655698100 435733628 /nfs/dbraw/zinc/73/36/28/435733628.db2.gz WHQPYRSXMDMHBU-WMZOPIPTSA-N 2 2 302.462 3.207 20 0 DGADLP CC1(C)COC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463713 435738163 /nfs/dbraw/zinc/73/81/63/435738163.db2.gz KHFQZIAWYUPSOV-SJORKVTESA-N 2 2 302.462 3.054 20 0 DGADLP CC1(C)COC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463713 435738170 /nfs/dbraw/zinc/73/81/70/435738170.db2.gz KHFQZIAWYUPSOV-SJORKVTESA-N 2 2 302.462 3.054 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCC3)CCSC1 ZINC000491373617 435738588 /nfs/dbraw/zinc/73/85/88/435738588.db2.gz JSQACWUINZHJIS-GOSISDBHSA-N 2 2 304.503 3.092 20 0 DGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655705060 435738800 /nfs/dbraw/zinc/73/88/00/435738800.db2.gz VBGXUNPDXGUOCA-QUCCMNQESA-N 2 2 314.473 3.297 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655705217 435739337 /nfs/dbraw/zinc/73/93/37/435739337.db2.gz ZYSBSMPRXDSNRJ-UHFFFAOYSA-N 2 2 323.234 3.379 20 0 DGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708636 435739829 /nfs/dbraw/zinc/73/98/29/435739829.db2.gz RLSSLGHXYMWYBQ-WDSOQIARSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000655708975 435739877 /nfs/dbraw/zinc/73/98/77/435739877.db2.gz QVCUZMJBEWJTBW-UHFFFAOYSA-N 2 2 314.477 3.309 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000655708975 435739884 /nfs/dbraw/zinc/73/98/84/435739884.db2.gz QVCUZMJBEWJTBW-UHFFFAOYSA-N 2 2 314.477 3.309 20 0 DGADLP CSc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000660435076 435743626 /nfs/dbraw/zinc/74/36/26/435743626.db2.gz KFBUSHWSHKVVQX-MRXNPFEDSA-N 2 2 300.427 3.457 20 0 DGADLP CSc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000660435076 435743636 /nfs/dbraw/zinc/74/36/36/435743636.db2.gz KFBUSHWSHKVVQX-MRXNPFEDSA-N 2 2 300.427 3.457 20 0 DGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716727 435747659 /nfs/dbraw/zinc/74/76/59/435747659.db2.gz YITWQHSKWYKHGC-NXWXRZEISA-N 2 2 308.510 3.290 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H](C)C1CCCCC1 ZINC000655719059 435748296 /nfs/dbraw/zinc/74/82/96/435748296.db2.gz OWJPNGCZDGGZAG-GJYPPUQNSA-N 2 2 308.510 3.434 20 0 DGADLP c1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655723578 435750532 /nfs/dbraw/zinc/75/05/32/435750532.db2.gz LVGRMHNDNXUZOS-HOJAQTOUSA-N 2 2 314.473 3.166 20 0 DGADLP c1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)onc1C1CC1 ZINC000660448064 435752345 /nfs/dbraw/zinc/75/23/45/435752345.db2.gz MGPXQDZWAUVFJG-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP c1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)onc1C1CC1 ZINC000660448064 435752351 /nfs/dbraw/zinc/75/23/51/435752351.db2.gz MGPXQDZWAUVFJG-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP c1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)onc1C1CC1 ZINC000660448064 435752359 /nfs/dbraw/zinc/75/23/59/435752359.db2.gz MGPXQDZWAUVFJG-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP c1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)onc1C1CC1 ZINC000660448064 435752366 /nfs/dbraw/zinc/75/23/66/435752366.db2.gz MGPXQDZWAUVFJG-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1F ZINC000655729488 435755181 /nfs/dbraw/zinc/75/51/81/435755181.db2.gz AYAYDGYZCXLODA-YOEHRIQHSA-N 2 2 306.425 3.038 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655734443 435758081 /nfs/dbraw/zinc/75/80/81/435758081.db2.gz IMIBIRUNIQLICX-APWZRJJASA-N 2 2 314.473 3.252 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H](C)C2 ZINC000491258399 435721304 /nfs/dbraw/zinc/72/13/04/435721304.db2.gz DASKUIHYNQXJMV-NHAYFPRASA-N 2 2 316.489 3.317 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000550095780 435789725 /nfs/dbraw/zinc/78/97/25/435789725.db2.gz DOYCBAAEIUFEMC-BZSNNMDCSA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000550095780 435789732 /nfs/dbraw/zinc/78/97/32/435789732.db2.gz DOYCBAAEIUFEMC-BZSNNMDCSA-N 2 2 324.509 3.210 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000550631222 435806406 /nfs/dbraw/zinc/80/64/06/435806406.db2.gz LHGFBPLIFNXGRJ-CVEARBPZSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000550631222 435806409 /nfs/dbraw/zinc/80/64/09/435806409.db2.gz LHGFBPLIFNXGRJ-CVEARBPZSA-N 2 2 303.450 3.091 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000660590825 435817050 /nfs/dbraw/zinc/81/70/50/435817050.db2.gz QTPRSDPKCBKTQE-KRWDZBQOSA-N 2 2 316.489 3.495 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000660590825 435817056 /nfs/dbraw/zinc/81/70/56/435817056.db2.gz QTPRSDPKCBKTQE-KRWDZBQOSA-N 2 2 316.489 3.495 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)CCC(C)C)n1-c1ccccc1 ZINC000641776316 435818018 /nfs/dbraw/zinc/81/80/18/435818018.db2.gz YGAPUFCOSWZBCR-INIZCTEOSA-N 2 2 301.434 3.067 20 0 DGADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474957 435766984 /nfs/dbraw/zinc/76/69/84/435766984.db2.gz SEVFQDBHRWQFGC-ZWKOTPCHSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474957 435766993 /nfs/dbraw/zinc/76/69/93/435766993.db2.gz SEVFQDBHRWQFGC-ZWKOTPCHSA-N 2 2 302.462 3.243 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481598 435770649 /nfs/dbraw/zinc/77/06/49/435770649.db2.gz RXRSLUVARGBWOU-WMZOPIPTSA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481598 435770653 /nfs/dbraw/zinc/77/06/53/435770653.db2.gz RXRSLUVARGBWOU-WMZOPIPTSA-N 2 2 317.477 3.214 20 0 DGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000520839590 435776982 /nfs/dbraw/zinc/77/69/82/435776982.db2.gz KTXTZVXERPTRAG-SFHVURJKSA-N 2 2 322.880 3.335 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655760908 435781392 /nfs/dbraw/zinc/78/13/92/435781392.db2.gz AOBYYXSDGICACE-UHFFFAOYSA-N 2 2 318.509 3.354 20 0 DGADLP COc1ccc(C[NH+](C)C)cc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000551243043 435828055 /nfs/dbraw/zinc/82/80/55/435828055.db2.gz GHIVFAAYBCLGON-UHFFFAOYSA-N 2 2 324.428 3.325 20 0 DGADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273210 435828538 /nfs/dbraw/zinc/82/85/38/435828538.db2.gz VCRWJFYWOHZQFX-NSISKUIASA-N 2 2 318.505 3.210 20 0 DGADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273210 435828543 /nfs/dbraw/zinc/82/85/43/435828543.db2.gz VCRWJFYWOHZQFX-NSISKUIASA-N 2 2 318.505 3.210 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2csc(-c3ccccc3F)n2)C[C@@H]1[NH3+] ZINC000641804367 435828644 /nfs/dbraw/zinc/82/86/44/435828644.db2.gz YZWOPPUHICQDOC-UONOGXRCSA-N 2 2 305.422 3.165 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655838113 435830947 /nfs/dbraw/zinc/83/09/47/435830947.db2.gz IRUZWQFOULSBLI-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655838113 435830954 /nfs/dbraw/zinc/83/09/54/435830954.db2.gz IRUZWQFOULSBLI-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cc2cnccc2o1 ZINC000651806574 435832216 /nfs/dbraw/zinc/83/22/16/435832216.db2.gz OPCPOLTUZINYFV-UHFFFAOYSA-N 2 2 313.401 3.375 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cc2cnccc2o1 ZINC000651806574 435832221 /nfs/dbraw/zinc/83/22/21/435832221.db2.gz OPCPOLTUZINYFV-UHFFFAOYSA-N 2 2 313.401 3.375 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cc2cnccc2o1)Cc1ccco1 ZINC000651806574 435832225 /nfs/dbraw/zinc/83/22/25/435832225.db2.gz OPCPOLTUZINYFV-UHFFFAOYSA-N 2 2 313.401 3.375 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cc2cnccc2o1)Cc1ccco1 ZINC000651806574 435832233 /nfs/dbraw/zinc/83/22/33/435832233.db2.gz OPCPOLTUZINYFV-UHFFFAOYSA-N 2 2 313.401 3.375 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000655847583 435837916 /nfs/dbraw/zinc/83/79/16/435837916.db2.gz BZZGNTPRQOQUJP-UAGQMJEPSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000655847583 435837922 /nfs/dbraw/zinc/83/79/22/435837922.db2.gz BZZGNTPRQOQUJP-UAGQMJEPSA-N 2 2 316.445 3.125 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655849188 435839125 /nfs/dbraw/zinc/83/91/25/435839125.db2.gz PWPXPAJZQBJEAM-HOJAQTOUSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655849188 435839128 /nfs/dbraw/zinc/83/91/28/435839128.db2.gz PWPXPAJZQBJEAM-HOJAQTOUSA-N 2 2 314.473 3.159 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848673 435839926 /nfs/dbraw/zinc/83/99/26/435839926.db2.gz JVLSUXCLMSEVQK-GDIGMMSISA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848673 435839927 /nfs/dbraw/zinc/83/99/27/435839927.db2.gz JVLSUXCLMSEVQK-GDIGMMSISA-N 2 2 315.461 3.313 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@@H](c3cccnc3)C1)CCCC2 ZINC000551569325 435841606 /nfs/dbraw/zinc/84/16/06/435841606.db2.gz OUZBTBIRTCZFRY-WBVHZDCISA-N 2 2 310.445 3.430 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCC4(CCCC4)O3)CC2)[nH+]c1 ZINC000655852782 435842487 /nfs/dbraw/zinc/84/24/87/435842487.db2.gz PUUGUMKJABBPGS-QGZVFWFLSA-N 2 2 315.461 3.132 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850471 435843170 /nfs/dbraw/zinc/84/31/70/435843170.db2.gz VUBSTTMEFRCYTR-JQHSSLGASA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850471 435843175 /nfs/dbraw/zinc/84/31/75/435843175.db2.gz VUBSTTMEFRCYTR-JQHSSLGASA-N 2 2 302.462 3.233 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000651865311 435847116 /nfs/dbraw/zinc/84/71/16/435847116.db2.gz UEEGNJDZRNAVGG-UHFFFAOYSA-N 2 2 315.461 3.333 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000651865311 435847120 /nfs/dbraw/zinc/84/71/20/435847120.db2.gz UEEGNJDZRNAVGG-UHFFFAOYSA-N 2 2 315.461 3.333 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655857744 435848138 /nfs/dbraw/zinc/84/81/38/435848138.db2.gz VEXQFDCONYATSU-IAGOWNOFSA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655857744 435848147 /nfs/dbraw/zinc/84/81/47/435848147.db2.gz VEXQFDCONYATSU-IAGOWNOFSA-N 2 2 324.415 3.437 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699605 435848410 /nfs/dbraw/zinc/84/84/10/435848410.db2.gz IYJTZFBQCOLUKB-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699605 435848415 /nfs/dbraw/zinc/84/84/15/435848415.db2.gz IYJTZFBQCOLUKB-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@@H](C)[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699605 435848419 /nfs/dbraw/zinc/84/84/19/435848419.db2.gz IYJTZFBQCOLUKB-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@@H](C)[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699605 435848427 /nfs/dbraw/zinc/84/84/27/435848427.db2.gz IYJTZFBQCOLUKB-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000651865729 435851084 /nfs/dbraw/zinc/85/10/84/435851084.db2.gz GBLWEKGUZSQTLH-UHFFFAOYSA-N 2 2 322.884 3.294 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000651865729 435851089 /nfs/dbraw/zinc/85/10/89/435851089.db2.gz GBLWEKGUZSQTLH-UHFFFAOYSA-N 2 2 322.884 3.294 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1nsc3ccccc31)C2 ZINC000660665709 435851707 /nfs/dbraw/zinc/85/17/07/435851707.db2.gz XIXBOKYXBBNULN-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1nsc3ccccc31)C2 ZINC000660665709 435851713 /nfs/dbraw/zinc/85/17/13/435851713.db2.gz XIXBOKYXBBNULN-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1nsc3ccccc31)C2 ZINC000660665709 435851718 /nfs/dbraw/zinc/85/17/18/435851718.db2.gz XIXBOKYXBBNULN-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1nsc3ccccc31)C2 ZINC000660665709 435851722 /nfs/dbraw/zinc/85/17/22/435851722.db2.gz XIXBOKYXBBNULN-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000551816720 435856425 /nfs/dbraw/zinc/85/64/25/435856425.db2.gz QCAPTYUAEYFOQR-KRWDZBQOSA-N 2 2 321.424 3.442 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000551816720 435856428 /nfs/dbraw/zinc/85/64/28/435856428.db2.gz QCAPTYUAEYFOQR-KRWDZBQOSA-N 2 2 321.424 3.442 20 0 DGADLP CCc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)nc1 ZINC000660680251 435858360 /nfs/dbraw/zinc/85/83/60/435858360.db2.gz SYONGYNOUMISHS-UHFFFAOYSA-N 2 2 309.457 3.398 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000660693168 435860669 /nfs/dbraw/zinc/86/06/69/435860669.db2.gz BTSOYGCGYWLFIA-HNNXBMFYSA-N 2 2 324.896 3.474 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H]1CC[NH+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910053 435860832 /nfs/dbraw/zinc/86/08/32/435860832.db2.gz FQVRGIWAVGOKOG-IEBWSBKVSA-N 3 2 309.542 3.351 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910053 435860839 /nfs/dbraw/zinc/86/08/39/435860839.db2.gz FQVRGIWAVGOKOG-IEBWSBKVSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910053 435860844 /nfs/dbraw/zinc/86/08/44/435860844.db2.gz FQVRGIWAVGOKOG-IEBWSBKVSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910053 435860849 /nfs/dbraw/zinc/86/08/49/435860849.db2.gz FQVRGIWAVGOKOG-IEBWSBKVSA-N 3 2 309.542 3.351 20 0 DGADLP CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651912187 435865610 /nfs/dbraw/zinc/86/56/10/435865610.db2.gz OPTLZYQNGNRNRV-CYBMUJFWSA-N 2 2 305.447 3.323 20 0 DGADLP CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651912187 435865613 /nfs/dbraw/zinc/86/56/13/435865613.db2.gz OPTLZYQNGNRNRV-CYBMUJFWSA-N 2 2 305.447 3.323 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801100 435868839 /nfs/dbraw/zinc/86/88/39/435868839.db2.gz OAOQJPKFOAVWEB-ZFWWWQNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801100 435868842 /nfs/dbraw/zinc/86/88/42/435868842.db2.gz OAOQJPKFOAVWEB-ZFWWWQNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801100 435868846 /nfs/dbraw/zinc/86/88/46/435868846.db2.gz OAOQJPKFOAVWEB-ZFWWWQNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801100 435868850 /nfs/dbraw/zinc/86/88/50/435868850.db2.gz OAOQJPKFOAVWEB-ZFWWWQNUSA-N 2 2 310.869 3.178 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000572868809 435876824 /nfs/dbraw/zinc/87/68/24/435876824.db2.gz ICVRURFXXXWCMJ-YOEHRIQHSA-N 2 2 303.450 3.023 20 0 DGADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000651767750 435823562 /nfs/dbraw/zinc/82/35/62/435823562.db2.gz KGRVNPJSNANFIP-YPMHNXCESA-N 2 2 305.784 3.268 20 0 DGADLP Cc1ccnc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000650349756 435897641 /nfs/dbraw/zinc/89/76/41/435897641.db2.gz DDHBZLPJIXZYOV-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1ccnc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000650349756 435897645 /nfs/dbraw/zinc/89/76/45/435897645.db2.gz DDHBZLPJIXZYOV-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)no1 ZINC000660853509 435910228 /nfs/dbraw/zinc/91/02/28/435910228.db2.gz ZWBYGNSYZGCLJU-UHFFFAOYSA-N 2 2 310.401 3.314 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000660900675 435917723 /nfs/dbraw/zinc/91/77/23/435917723.db2.gz BQUJDTVTTUYIRN-INIZCTEOSA-N 2 2 310.869 3.010 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000660900675 435917729 /nfs/dbraw/zinc/91/77/29/435917729.db2.gz BQUJDTVTTUYIRN-INIZCTEOSA-N 2 2 310.869 3.010 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000665240920 435926915 /nfs/dbraw/zinc/92/69/15/435926915.db2.gz VXEMTDVVSCXSEN-QYZOEREBSA-N 2 2 312.413 3.117 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cscn1 ZINC000665240839 435927215 /nfs/dbraw/zinc/92/72/15/435927215.db2.gz UAMWSASKNFNEPZ-JDFRZJQESA-N 2 2 315.442 3.050 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932157 435927335 /nfs/dbraw/zinc/92/73/35/435927335.db2.gz UWONEEPGYBINCH-XUWXXGDYSA-N 2 2 324.428 3.278 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932157 435927338 /nfs/dbraw/zinc/92/73/38/435927338.db2.gz UWONEEPGYBINCH-XUWXXGDYSA-N 2 2 324.428 3.278 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000665254723 435931340 /nfs/dbraw/zinc/93/13/40/435931340.db2.gz XZCQOPXPTDODHR-NIKGAXFTSA-N 2 2 313.420 3.325 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259341 435932834 /nfs/dbraw/zinc/93/28/34/435932834.db2.gz CIHLSKGEFKRFIO-ODVANORSSA-N 2 2 306.425 3.058 20 0 DGADLP CCCC[C@@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257243 435933143 /nfs/dbraw/zinc/93/31/43/435933143.db2.gz CZVRHLCYIHONOC-RCCFBDPRSA-N 2 2 308.441 3.066 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+]CC23CC(C2)C[NH2+]3)cc1OCC ZINC000665277395 435935374 /nfs/dbraw/zinc/93/53/74/435935374.db2.gz AKPOHUXDOCNRJQ-NLGTXKQRSA-N 2 2 318.461 3.277 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000572879520 435879139 /nfs/dbraw/zinc/87/91/39/435879139.db2.gz LFQDJFXMOOQNTH-ICSRJNTNSA-N 2 2 322.452 3.404 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000572879520 435879142 /nfs/dbraw/zinc/87/91/42/435879142.db2.gz LFQDJFXMOOQNTH-ICSRJNTNSA-N 2 2 322.452 3.404 20 0 DGADLP COc1cc(F)cc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647263080 435994535 /nfs/dbraw/zinc/99/45/35/435994535.db2.gz FRFBPLAAWKQDTN-UHFFFAOYSA-N 2 2 313.376 3.123 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647184708 435965723 /nfs/dbraw/zinc/96/57/23/435965723.db2.gz YVJSAYSZSPHBMS-LJQANCHMSA-N 2 2 324.472 3.190 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647184708 435965724 /nfs/dbraw/zinc/96/57/24/435965724.db2.gz YVJSAYSZSPHBMS-LJQANCHMSA-N 2 2 324.472 3.190 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@H]3CCOc4ccccc43)cn21 ZINC000647262510 435995199 /nfs/dbraw/zinc/99/51/99/435995199.db2.gz BEHLZUBGGYCRAU-MRXNPFEDSA-N 2 2 321.424 3.341 20 0 DGADLP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000656280978 435937068 /nfs/dbraw/zinc/93/70/68/435937068.db2.gz GYPXHOCIJPQHSC-LJQANCHMSA-N 2 2 314.473 3.251 20 0 DGADLP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000656280978 435937074 /nfs/dbraw/zinc/93/70/74/435937074.db2.gz GYPXHOCIJPQHSC-LJQANCHMSA-N 2 2 314.473 3.251 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665278765 435938789 /nfs/dbraw/zinc/93/87/89/435938789.db2.gz ODRVDGNIGYPUCZ-YHDJDMAPSA-N 2 2 308.425 3.126 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCc2ccco2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665283385 435941295 /nfs/dbraw/zinc/94/12/95/435941295.db2.gz MXHDBWMDZUISCE-OALUTQOASA-N 2 2 314.429 3.304 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000665296721 435942917 /nfs/dbraw/zinc/94/29/17/435942917.db2.gz XAYAOCOURYSVHF-TVQRCGJNSA-N 2 2 303.219 3.237 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)c2ccccc21 ZINC000665300120 435944775 /nfs/dbraw/zinc/94/47/75/435944775.db2.gz YRORCSUYPNDAJC-CABCVRRESA-N 2 2 307.319 3.335 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)CO1 ZINC000647166783 435956525 /nfs/dbraw/zinc/95/65/25/435956525.db2.gz CZCXTAWGEKTGJK-ARFHVFGLSA-N 2 2 308.491 3.288 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691086 436010091 /nfs/dbraw/zinc/01/00/91/436010091.db2.gz CIMPMPPMVNDUKV-IUODEOHRSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691086 436010093 /nfs/dbraw/zinc/01/00/93/436010093.db2.gz CIMPMPPMVNDUKV-IUODEOHRSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700640 436012073 /nfs/dbraw/zinc/01/20/73/436012073.db2.gz QUEBPWSBDUALDS-RTBURBONSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700640 436012078 /nfs/dbraw/zinc/01/20/78/436012078.db2.gz QUEBPWSBDUALDS-RTBURBONSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700640 436012081 /nfs/dbraw/zinc/01/20/81/436012081.db2.gz QUEBPWSBDUALDS-RTBURBONSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700640 436012085 /nfs/dbraw/zinc/01/20/85/436012085.db2.gz QUEBPWSBDUALDS-RTBURBONSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693619 436013339 /nfs/dbraw/zinc/01/33/39/436013339.db2.gz BVKCASZIHLAFSR-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693619 436013343 /nfs/dbraw/zinc/01/33/43/436013343.db2.gz BVKCASZIHLAFSR-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693619 436013349 /nfs/dbraw/zinc/01/33/49/436013349.db2.gz BVKCASZIHLAFSR-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693619 436013352 /nfs/dbraw/zinc/01/33/52/436013352.db2.gz BVKCASZIHLAFSR-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000647336288 436019026 /nfs/dbraw/zinc/01/90/26/436019026.db2.gz UFKWPHPHCKAORM-UXLLHSPISA-N 2 2 301.434 3.320 20 0 DGADLP [NH3+]Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(F)F)c(F)c1 ZINC000650753952 436019120 /nfs/dbraw/zinc/01/91/20/436019120.db2.gz YWUVRLBHIAXPIV-MRXNPFEDSA-N 2 2 308.347 3.250 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365021 436031739 /nfs/dbraw/zinc/03/17/39/436031739.db2.gz WVZCEFHFKRSLOF-OAHLLOKOSA-N 2 2 323.440 3.415 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656785704 436045139 /nfs/dbraw/zinc/04/51/39/436045139.db2.gz INUARMJSEJRWDQ-NRFANRHFSA-N 3 2 323.484 3.245 20 0 DGADLP CCOc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1OC(F)F ZINC000656788162 436046807 /nfs/dbraw/zinc/04/68/07/436046807.db2.gz FUAVAFDDEKZZJU-UHFFFAOYSA-N 2 2 314.376 3.048 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000656790230 436047379 /nfs/dbraw/zinc/04/73/79/436047379.db2.gz LBSWZGLDOZMRHZ-QZTJIDSGSA-N 2 2 302.368 3.200 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788401 436047427 /nfs/dbraw/zinc/04/74/27/436047427.db2.gz NJHUORAFVLHQMB-UHFFFAOYSA-N 2 2 318.852 3.195 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1 ZINC000656790332 436048106 /nfs/dbraw/zinc/04/81/06/436048106.db2.gz OXHYCPFAADKEJQ-HZPDHXFCSA-N 2 2 319.449 3.080 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCc4ccccc4C3)cn21 ZINC000647262524 435996077 /nfs/dbraw/zinc/99/60/77/435996077.db2.gz BOCVOSVMLDLDMP-SFHVURJKSA-N 2 2 305.425 3.332 20 0 DGADLP CCCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](CC)c1ccccc1 ZINC000653089424 436107610 /nfs/dbraw/zinc/10/76/10/436107610.db2.gz HHCBDKNEJPVINV-QZTJIDSGSA-N 2 2 319.493 3.045 20 0 DGADLP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(Br)c1 ZINC000647482513 436062625 /nfs/dbraw/zinc/06/26/25/436062625.db2.gz LGNXKFDJOUELRA-UHFFFAOYSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Br)c1 ZINC000647482513 436062631 /nfs/dbraw/zinc/06/26/31/436062631.db2.gz LGNXKFDJOUELRA-UHFFFAOYSA-N 2 2 323.278 3.474 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647498538 436066179 /nfs/dbraw/zinc/06/61/79/436066179.db2.gz JUQJGTLAMHDOMZ-HUUCEWRRSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647498538 436066182 /nfs/dbraw/zinc/06/61/82/436066182.db2.gz JUQJGTLAMHDOMZ-HUUCEWRRSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647498536 436066338 /nfs/dbraw/zinc/06/63/38/436066338.db2.gz JUQJGTLAMHDOMZ-CABCVRRESA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647498536 436066347 /nfs/dbraw/zinc/06/63/47/436066347.db2.gz JUQJGTLAMHDOMZ-CABCVRRESA-N 2 2 300.450 3.006 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1[NH3+] ZINC000647498127 436066916 /nfs/dbraw/zinc/06/69/16/436066916.db2.gz AYAOJRWHSONFHL-AAEUAGOBSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1[NH3+] ZINC000647498127 436066921 /nfs/dbraw/zinc/06/69/21/436066921.db2.gz AYAOJRWHSONFHL-AAEUAGOBSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508301 436067981 /nfs/dbraw/zinc/06/79/81/436067981.db2.gz JZEMLTVNPQLSPK-WBMJQRKESA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508301 436067988 /nfs/dbraw/zinc/06/79/88/436067988.db2.gz JZEMLTVNPQLSPK-WBMJQRKESA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508299 436068725 /nfs/dbraw/zinc/06/87/25/436068725.db2.gz JZEMLTVNPQLSPK-MLGOLLRUSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508299 436068731 /nfs/dbraw/zinc/06/87/31/436068731.db2.gz JZEMLTVNPQLSPK-MLGOLLRUSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509919 436069266 /nfs/dbraw/zinc/06/92/66/436069266.db2.gz WFDIGYFAGOLZSY-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509919 436069268 /nfs/dbraw/zinc/06/92/68/436069268.db2.gz WFDIGYFAGOLZSY-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000647508621 436069454 /nfs/dbraw/zinc/06/94/54/436069454.db2.gz VAFXFVSJXDJIOE-UZLBHIALSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000647508621 436069460 /nfs/dbraw/zinc/06/94/60/436069460.db2.gz VAFXFVSJXDJIOE-UZLBHIALSA-N 2 2 310.441 3.210 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509918 436069639 /nfs/dbraw/zinc/06/96/39/436069639.db2.gz WFDIGYFAGOLZSY-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509918 436069643 /nfs/dbraw/zinc/06/96/43/436069643.db2.gz WFDIGYFAGOLZSY-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508559 436069742 /nfs/dbraw/zinc/06/97/42/436069742.db2.gz RLXAFPMKWQYLNS-LRDDRELGSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508559 436069746 /nfs/dbraw/zinc/06/97/46/436069746.db2.gz RLXAFPMKWQYLNS-LRDDRELGSA-N 2 2 320.433 3.102 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000647530818 436074221 /nfs/dbraw/zinc/07/42/21/436074221.db2.gz IEGTYODVHWVWRD-UHFFFAOYSA-N 2 2 307.869 3.253 20 0 DGADLP Brc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000647553508 436082158 /nfs/dbraw/zinc/08/21/58/436082158.db2.gz BODZEOOUQGBPLF-NSHDSACASA-N 2 2 315.280 3.275 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(Cl)c1OC ZINC000647553684 436082380 /nfs/dbraw/zinc/08/23/80/436082380.db2.gz HDNMNDKYESEUNL-OAHLLOKOSA-N 2 2 324.852 3.122 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554146 436083063 /nfs/dbraw/zinc/08/30/63/436083063.db2.gz SBALWAIVQSXPEV-AWEZNQCLSA-N 2 2 314.351 3.350 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814212 436128532 /nfs/dbraw/zinc/12/85/32/436128532.db2.gz CUBMPLKJJJMVMD-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814212 436128539 /nfs/dbraw/zinc/12/85/39/436128539.db2.gz CUBMPLKJJJMVMD-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP CCCCOc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657314617 436133224 /nfs/dbraw/zinc/13/32/24/436133224.db2.gz XXVIOVNTDROQAJ-UHFFFAOYSA-N 2 2 313.445 3.341 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1F ZINC000661658181 436138201 /nfs/dbraw/zinc/13/82/01/436138201.db2.gz AVKYFELBEOCHBQ-MRXNPFEDSA-N 2 2 303.381 3.176 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1F ZINC000661658181 436138207 /nfs/dbraw/zinc/13/82/07/436138207.db2.gz AVKYFELBEOCHBQ-MRXNPFEDSA-N 2 2 303.381 3.176 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]Cc2cnn3c2CCC3)[NH+]2CCCC2)cc1 ZINC000657337865 436144837 /nfs/dbraw/zinc/14/48/37/436144837.db2.gz DJKCKXMQTLZTKW-HXUWFJFHSA-N 2 2 324.472 3.064 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CO1 ZINC000657338705 436146044 /nfs/dbraw/zinc/14/60/44/436146044.db2.gz SIYFPTJPDJZBAJ-QRVBRYPASA-N 2 2 302.462 3.289 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000647911694 436146837 /nfs/dbraw/zinc/14/68/37/436146837.db2.gz HBMXWDPSRUBXRY-MAUKXSAKSA-N 2 2 319.518 3.482 20 0 DGADLP Clc1ccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000657345027 436148936 /nfs/dbraw/zinc/14/89/36/436148936.db2.gz IBFGSZCDWZIVJJ-UHFFFAOYSA-N 2 2 301.821 3.304 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000657285972 436114259 /nfs/dbraw/zinc/11/42/59/436114259.db2.gz JSIXQBDUMBPXLT-UHFFFAOYSA-N 2 2 312.442 3.495 20 0 DGADLP CC(C)n1ccnc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657285464 436114921 /nfs/dbraw/zinc/11/49/21/436114921.db2.gz GKSZVTROHYCDOO-UHFFFAOYSA-N 2 2 312.461 3.218 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(CC2CC2)n1 ZINC000657285308 436114969 /nfs/dbraw/zinc/11/49/69/436114969.db2.gz BZBHJSUROZZVPB-UHFFFAOYSA-N 2 2 324.472 3.047 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000657296915 436118780 /nfs/dbraw/zinc/11/87/80/436118780.db2.gz XYESETAWCWJLDS-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000657296915 436118784 /nfs/dbraw/zinc/11/87/84/436118784.db2.gz XYESETAWCWJLDS-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP CC(C)n1cc[nH+]c1CNCCC[N@H+](C)Cc1ccccc1 ZINC000657296915 436118789 /nfs/dbraw/zinc/11/87/89/436118789.db2.gz XYESETAWCWJLDS-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP CC(C)n1cc[nH+]c1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000657296915 436118794 /nfs/dbraw/zinc/11/87/94/436118794.db2.gz XYESETAWCWJLDS-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000657297350 436122034 /nfs/dbraw/zinc/12/20/34/436122034.db2.gz MAETVENJZJBCOC-ZWKOTPCHSA-N 2 2 322.880 3.462 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CO1 ZINC000657298153 436123066 /nfs/dbraw/zinc/12/30/66/436123066.db2.gz TVDIXRYFUFLERA-SCTDSRPQSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000657358164 436158136 /nfs/dbraw/zinc/15/81/36/436158136.db2.gz CGMPFEKZRFVZFI-UHFFFAOYSA-N 2 2 312.461 3.384 20 0 DGADLP Cc1csc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCCC2)n1 ZINC000657358816 436158827 /nfs/dbraw/zinc/15/88/27/436158827.db2.gz MQZGRLBDZZEHQT-UHFFFAOYSA-N 2 2 302.447 3.153 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)n1C ZINC000657375477 436166295 /nfs/dbraw/zinc/16/62/95/436166295.db2.gz ZVRPVSAJVDUJOP-AWEZNQCLSA-N 2 2 318.852 3.141 20 0 DGADLP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382798 436170919 /nfs/dbraw/zinc/17/09/19/436170919.db2.gz LLKYKDIOHFGYKP-PKOBYXMFSA-N 2 2 311.429 3.148 20 0 DGADLP Brc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)s1 ZINC000647991263 436171077 /nfs/dbraw/zinc/17/10/77/436171077.db2.gz RVJLSBKNDVURLO-WDEREUQCSA-N 2 2 315.280 3.257 20 0 DGADLP Brc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)s1 ZINC000647991263 436171083 /nfs/dbraw/zinc/17/10/83/436171083.db2.gz RVJLSBKNDVURLO-WDEREUQCSA-N 2 2 315.280 3.257 20 0 DGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccc(Cl)cc1 ZINC000657380699 436167993 /nfs/dbraw/zinc/16/79/93/436167993.db2.gz LPJBNVCFPWDQPD-LBPRGKRZSA-N 2 2 305.809 3.040 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000648008859 436177914 /nfs/dbraw/zinc/17/79/14/436177914.db2.gz BKQUQWIUBAKYRV-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)O1 ZINC000666218501 436178333 /nfs/dbraw/zinc/17/83/33/436178333.db2.gz PHIDWPYTKNFSFG-UKBAYJJMSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)O1 ZINC000666218501 436178335 /nfs/dbraw/zinc/17/83/35/436178335.db2.gz PHIDWPYTKNFSFG-UKBAYJJMSA-N 2 2 316.489 3.443 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000648009957 436178989 /nfs/dbraw/zinc/17/89/89/436178989.db2.gz DYDBLPQOIUTIAR-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000648009957 436179001 /nfs/dbraw/zinc/17/90/01/436179001.db2.gz DYDBLPQOIUTIAR-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387137 436173931 /nfs/dbraw/zinc/17/39/31/436173931.db2.gz RNWUAUACXJMBRG-DGCLKSJQSA-N 2 2 301.356 3.288 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2cccs2)n1 ZINC000657524838 436233756 /nfs/dbraw/zinc/23/37/56/436233756.db2.gz MGXOANOGAVEERB-CQSZACIVSA-N 2 2 318.490 3.111 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2cccs2)n1 ZINC000657524838 436233760 /nfs/dbraw/zinc/23/37/60/436233760.db2.gz MGXOANOGAVEERB-CQSZACIVSA-N 2 2 318.490 3.111 20 0 DGADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526652 436235743 /nfs/dbraw/zinc/23/57/43/436235743.db2.gz KDYNVNZHMQKDFX-INIZCTEOSA-N 2 2 312.461 3.050 20 0 DGADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526652 436235748 /nfs/dbraw/zinc/23/57/48/436235748.db2.gz KDYNVNZHMQKDFX-INIZCTEOSA-N 2 2 312.461 3.050 20 0 DGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCC1 ZINC000657559594 436243514 /nfs/dbraw/zinc/24/35/14/436243514.db2.gz OPEOKAUOHYVYFJ-GOSISDBHSA-N 2 2 322.880 3.055 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CO1 ZINC000657530481 436236896 /nfs/dbraw/zinc/23/68/96/436236896.db2.gz ISEICSGGNJPZRS-INIZCTEOSA-N 2 2 322.880 3.462 20 0 DGADLP Fc1ccc(Oc2ccc(C[NH2+]CCC[NH+]3CCC3)cn2)cc1 ZINC000657423490 436193968 /nfs/dbraw/zinc/19/39/68/436193968.db2.gz IOVLBUJCNBMZQQ-UHFFFAOYSA-N 2 2 315.392 3.198 20 0 DGADLP COc1ccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CCC2)cc1 ZINC000657432569 436197388 /nfs/dbraw/zinc/19/73/88/436197388.db2.gz HMERAQMVRVGSGO-UHFFFAOYSA-N 2 2 311.429 3.049 20 0 DGADLP Fc1ccc(CCCCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657440866 436202371 /nfs/dbraw/zinc/20/23/71/436202371.db2.gz JGFDQUKECCLCJH-UHFFFAOYSA-N 2 2 301.409 3.471 20 0 DGADLP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657446860 436205868 /nfs/dbraw/zinc/20/58/68/436205868.db2.gz TWSOJABCFVWRKB-GOSISDBHSA-N 2 2 320.396 3.189 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CS[C@H](C(C)C)C3)cn21 ZINC000648078849 436206812 /nfs/dbraw/zinc/20/68/12/436206812.db2.gz QZCGLXNBZUCFBC-HOTGVXAUSA-N 2 2 303.475 3.305 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2cn3c(cccc3C)n2)c[nH+]1 ZINC000648078873 436207382 /nfs/dbraw/zinc/20/73/82/436207382.db2.gz SWLHHJVLUBASOP-UHFFFAOYSA-N 2 2 308.429 3.111 20 0 DGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1cc(F)cc(F)c1 ZINC000657460796 436212993 /nfs/dbraw/zinc/21/29/93/436212993.db2.gz MDWFVGGFQDCDPS-UHFFFAOYSA-N 2 2 321.371 3.055 20 0 DGADLP C[C@@H]1CC[N@H+](CCc2noc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000653586565 436216603 /nfs/dbraw/zinc/21/66/03/436216603.db2.gz UYYBCKIGSPYXFQ-PBHICJAKSA-N 2 2 310.401 3.150 20 0 DGADLP C[C@@H]1CC[N@@H+](CCc2noc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000653586565 436216608 /nfs/dbraw/zinc/21/66/08/436216608.db2.gz UYYBCKIGSPYXFQ-PBHICJAKSA-N 2 2 310.401 3.150 20 0 DGADLP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657478532 436221847 /nfs/dbraw/zinc/22/18/47/436221847.db2.gz LNMOAWNVEAUTSG-AAEUAGOBSA-N 2 2 301.356 3.430 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000657506673 436231885 /nfs/dbraw/zinc/23/18/85/436231885.db2.gz PRNWTCCTYFKRRT-CVEARBPZSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000657506673 436231889 /nfs/dbraw/zinc/23/18/89/436231889.db2.gz PRNWTCCTYFKRRT-CVEARBPZSA-N 2 2 301.459 3.403 20 0 DGADLP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657561358 436246865 /nfs/dbraw/zinc/24/68/65/436246865.db2.gz IHHOBZUCPXQSHX-CQSZACIVSA-N 2 2 322.415 3.198 20 0 DGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000666702013 436268775 /nfs/dbraw/zinc/26/87/75/436268775.db2.gz YPGZTKKKGONMKK-INIZCTEOSA-N 2 2 308.441 3.180 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000657657068 436269754 /nfs/dbraw/zinc/26/97/54/436269754.db2.gz NVXDPDBHMFYTJD-IPYPFGDCSA-N 2 2 304.400 3.429 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667442 436273541 /nfs/dbraw/zinc/27/35/41/436273541.db2.gz RCMSRISQCBUKJJ-UKBAYJJMSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667442 436273543 /nfs/dbraw/zinc/27/35/43/436273543.db2.gz RCMSRISQCBUKJJ-UKBAYJJMSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662097164 436275005 /nfs/dbraw/zinc/27/50/05/436275005.db2.gz XRIDUPHNKUQYGX-HNNXBMFYSA-N 2 2 320.234 3.401 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662097164 436275008 /nfs/dbraw/zinc/27/50/08/436275008.db2.gz XRIDUPHNKUQYGX-HNNXBMFYSA-N 2 2 320.234 3.401 20 0 DGADLP CCCOc1c(C[NH2+]C[C@H]2CCCC[NH2+]2)cccc1OCC ZINC000666766905 436277055 /nfs/dbraw/zinc/27/70/55/436277055.db2.gz IQOCNRPNWLJYFQ-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP CCCCOc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000666767114 436278392 /nfs/dbraw/zinc/27/83/92/436278392.db2.gz VMZODAACJNYOIS-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666769905 436279589 /nfs/dbraw/zinc/27/95/89/436279589.db2.gz GVKCVGXJXZSHOW-YJBOKZPZSA-N 2 2 317.477 3.259 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCCn3nccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000657980201 436350390 /nfs/dbraw/zinc/35/03/90/436350390.db2.gz LPMKWVRCOLTANC-UYAOXDASSA-N 2 2 324.472 3.362 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCCn3nccc32)CCC[N@H+]1Cc1ccccc1 ZINC000657980201 436350391 /nfs/dbraw/zinc/35/03/91/436350391.db2.gz LPMKWVRCOLTANC-UYAOXDASSA-N 2 2 324.472 3.362 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946776 436312648 /nfs/dbraw/zinc/31/26/48/436312648.db2.gz PYDDORABUSIBDT-ROUUACIJSA-N 2 2 314.404 3.152 20 0 DGADLP Fc1cccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)s2)c1 ZINC000666945584 436313423 /nfs/dbraw/zinc/31/34/23/436313423.db2.gz YWECRDJZQCKRIF-KBPBESRZSA-N 2 2 308.397 3.344 20 0 DGADLP CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254313 436315133 /nfs/dbraw/zinc/31/51/33/436315133.db2.gz HBSZSJMFIJEXNU-SWLSCSKDSA-N 2 2 316.367 3.077 20 0 DGADLP CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254313 436315138 /nfs/dbraw/zinc/31/51/38/436315138.db2.gz HBSZSJMFIJEXNU-SWLSCSKDSA-N 2 2 316.367 3.077 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000657817452 436315498 /nfs/dbraw/zinc/31/54/98/436315498.db2.gz OIPJGELLNVJKES-AEFFLSMTSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1OC ZINC000666992506 436320026 /nfs/dbraw/zinc/32/00/26/436320026.db2.gz PJSKHTTWEJOIOP-ZBFHGGJFSA-N 2 2 306.450 3.104 20 0 DGADLP FCC1(CF)CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000657836529 436321465 /nfs/dbraw/zinc/32/14/65/436321465.db2.gz VZJGBTMDDDLEKJ-MRXNPFEDSA-N 2 2 308.416 3.328 20 0 DGADLP FCC1(CF)CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000657836529 436321466 /nfs/dbraw/zinc/32/14/66/436321466.db2.gz VZJGBTMDDDLEKJ-MRXNPFEDSA-N 2 2 308.416 3.328 20 0 DGADLP C([NH2+][C@@H]1CCCSCC1)C1([NH+]2CCSCC2)CCCC1 ZINC000657835616 436321901 /nfs/dbraw/zinc/32/19/01/436321901.db2.gz VBNPAYCKSAQKAJ-OAHLLOKOSA-N 2 2 314.564 3.223 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1OC ZINC000666998451 436322014 /nfs/dbraw/zinc/32/20/14/436322014.db2.gz UVSYUGXAEHMOEA-CYBMUJFWSA-N 2 2 324.852 3.122 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000662275823 436322502 /nfs/dbraw/zinc/32/25/02/436322502.db2.gz DZUSAPKYLXHIPY-JRPNMDOOSA-N 2 2 300.418 3.033 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)cc2)c[nH+]1 ZINC000662313160 436329280 /nfs/dbraw/zinc/32/92/80/436329280.db2.gz KHCYHKVUDMVPCO-BGYRXZFFSA-N 2 2 323.440 3.265 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3C[C@]45COC[C@@]4(C3)CCCC5)cc2)c[nH+]1 ZINC000662313160 436329281 /nfs/dbraw/zinc/32/92/81/436329281.db2.gz KHCYHKVUDMVPCO-BGYRXZFFSA-N 2 2 323.440 3.265 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657870972 436330569 /nfs/dbraw/zinc/33/05/69/436330569.db2.gz HLHBHGRWVZCIAY-KBAYOESNSA-N 2 2 310.445 3.143 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@H]1c1cccc(F)c1 ZINC000667052292 436331804 /nfs/dbraw/zinc/33/18/04/436331804.db2.gz IKUSPVSMVPXFDC-VQTJNVASSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@H]1c1cccc(F)c1 ZINC000667052292 436331807 /nfs/dbraw/zinc/33/18/07/436331807.db2.gz IKUSPVSMVPXFDC-VQTJNVASSA-N 2 2 321.399 3.301 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000658056239 436360296 /nfs/dbraw/zinc/36/02/96/436360296.db2.gz ACJOTYUVLZXUJA-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000658056239 436360298 /nfs/dbraw/zinc/36/02/98/436360298.db2.gz ACJOTYUVLZXUJA-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2COC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000658056237 436360444 /nfs/dbraw/zinc/36/04/44/436360444.db2.gz ACJOTYUVLZXUJA-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2COC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000658056237 436360447 /nfs/dbraw/zinc/36/04/47/436360447.db2.gz ACJOTYUVLZXUJA-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059172 436361473 /nfs/dbraw/zinc/36/14/73/436361473.db2.gz VNPVHTWMJDFTAO-CZUORRHYSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059172 436361476 /nfs/dbraw/zinc/36/14/76/436361476.db2.gz VNPVHTWMJDFTAO-CZUORRHYSA-N 2 2 315.461 3.095 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057173 436361675 /nfs/dbraw/zinc/36/16/75/436361675.db2.gz NTGCZOLCADUPJL-CVEARBPZSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057173 436361676 /nfs/dbraw/zinc/36/16/76/436361676.db2.gz NTGCZOLCADUPJL-CVEARBPZSA-N 2 2 317.477 3.175 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059228 436361967 /nfs/dbraw/zinc/36/19/67/436361967.db2.gz WIWQNLIXHJHIJQ-CRAIPNDOSA-N 2 2 312.461 3.396 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059228 436361971 /nfs/dbraw/zinc/36/19/71/436361971.db2.gz WIWQNLIXHJHIJQ-CRAIPNDOSA-N 2 2 312.461 3.396 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091009 436372525 /nfs/dbraw/zinc/37/25/25/436372525.db2.gz KBEYHYLKFISBCR-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091009 436372528 /nfs/dbraw/zinc/37/25/28/436372528.db2.gz KBEYHYLKFISBCR-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094376 436373248 /nfs/dbraw/zinc/37/32/48/436373248.db2.gz YQVOYZFMJUWPNA-MSOLQXFVSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094376 436373251 /nfs/dbraw/zinc/37/32/51/436373251.db2.gz YQVOYZFMJUWPNA-MSOLQXFVSA-N 2 2 322.468 3.236 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC000658096272 436373478 /nfs/dbraw/zinc/37/34/78/436373478.db2.gz PECGSJZNTYBQOC-HOTGVXAUSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC000658096272 436373482 /nfs/dbraw/zinc/37/34/82/436373482.db2.gz PECGSJZNTYBQOC-HOTGVXAUSA-N 2 2 302.462 3.015 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1F ZINC000658164895 436392735 /nfs/dbraw/zinc/39/27/35/436392735.db2.gz ARRFLXLYGHGPAH-QFBILLFUSA-N 2 2 320.452 3.366 20 0 DGADLP CCn1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)nn1 ZINC000658177733 436395643 /nfs/dbraw/zinc/39/56/43/436395643.db2.gz VHPKNTZVYMEBQQ-UHFFFAOYSA-N 2 2 321.513 3.067 20 0 DGADLP c1c[nH+]c([C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229900 436407427 /nfs/dbraw/zinc/40/74/27/436407427.db2.gz ULXDIUNVUSGGPV-IEBWSBKVSA-N 2 2 324.472 3.496 20 0 DGADLP c1c[nH+]c([C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229900 436407431 /nfs/dbraw/zinc/40/74/31/436407431.db2.gz ULXDIUNVUSGGPV-IEBWSBKVSA-N 2 2 324.472 3.496 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1Cc1ccccc1 ZINC000658014518 436354623 /nfs/dbraw/zinc/35/46/23/436354623.db2.gz WOZXNCNTQRHJKH-YOEHRIQHSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1Cc1ccccc1 ZINC000658014518 436354627 /nfs/dbraw/zinc/35/46/27/436354627.db2.gz WOZXNCNTQRHJKH-YOEHRIQHSA-N 2 2 308.416 3.327 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056034 436359178 /nfs/dbraw/zinc/35/91/78/436359178.db2.gz KGKVXVPHSIXIHI-NVXWUHKLSA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056034 436359181 /nfs/dbraw/zinc/35/91/81/436359181.db2.gz KGKVXVPHSIXIHI-NVXWUHKLSA-N 2 2 304.478 3.479 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658053912 436359646 /nfs/dbraw/zinc/35/96/46/436359646.db2.gz BXCPQUUKYYXITQ-RDJZCZTQSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658053912 436359650 /nfs/dbraw/zinc/35/96/50/436359650.db2.gz BXCPQUUKYYXITQ-RDJZCZTQSA-N 2 2 317.477 3.175 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055389 436359845 /nfs/dbraw/zinc/35/98/45/436359845.db2.gz IFINOQFFGQTLOA-DZGCQCFKSA-N 2 2 307.457 3.415 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000658360568 436438744 /nfs/dbraw/zinc/43/87/44/436438744.db2.gz KROWXOYHXMEVDO-PZBISTMVSA-N 2 2 324.468 3.219 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000658360568 436438747 /nfs/dbraw/zinc/43/87/47/436438747.db2.gz KROWXOYHXMEVDO-PZBISTMVSA-N 2 2 324.468 3.219 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1cc(CO)cc(C)[nH+]1)c1ccccc1 ZINC000663332365 436439980 /nfs/dbraw/zinc/43/99/80/436439980.db2.gz WEQFDZXJHGFSNT-SFHVURJKSA-N 2 2 313.445 3.377 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NCc1ccc(N2CCCC2)[nH+]c1 ZINC000663382820 436449936 /nfs/dbraw/zinc/44/99/36/436449936.db2.gz XKBPJRYGBBQENJ-UHFFFAOYSA-N 2 2 319.412 3.424 20 0 DGADLP c1ccc(Nc2cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000663398365 436453855 /nfs/dbraw/zinc/45/38/55/436453855.db2.gz UKKAEBGUFKNRTP-HOTGVXAUSA-N 2 2 309.417 3.259 20 0 DGADLP c1ccc(Nc2cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000663398365 436453860 /nfs/dbraw/zinc/45/38/60/436453860.db2.gz UKKAEBGUFKNRTP-HOTGVXAUSA-N 2 2 309.417 3.259 20 0 DGADLP Cc1cc(CO)cc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416331 436456738 /nfs/dbraw/zinc/45/67/38/436456738.db2.gz MYTXGFAUJYBTHZ-QAPCUYQASA-N 2 2 311.429 3.130 20 0 DGADLP Cc1cc(CO)cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416331 436456741 /nfs/dbraw/zinc/45/67/41/436456741.db2.gz MYTXGFAUJYBTHZ-QAPCUYQASA-N 2 2 311.429 3.130 20 0 DGADLP CCn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000663467884 436465062 /nfs/dbraw/zinc/46/50/62/436465062.db2.gz PHZBRBQAESFSRK-MAUKXSAKSA-N 2 2 304.482 3.036 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286155 436417231 /nfs/dbraw/zinc/41/72/31/436417231.db2.gz PMAHKSPATVNHEE-IRXDYDNUSA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286155 436417232 /nfs/dbraw/zinc/41/72/32/436417232.db2.gz PMAHKSPATVNHEE-IRXDYDNUSA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283012 436417405 /nfs/dbraw/zinc/41/74/05/436417405.db2.gz ACLJRUTUIYZEFF-MSOLQXFVSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283012 436417408 /nfs/dbraw/zinc/41/74/08/436417408.db2.gz ACLJRUTUIYZEFF-MSOLQXFVSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288784 436419290 /nfs/dbraw/zinc/41/92/90/436419290.db2.gz ZOIOKKCWJJLEOK-MAUKXSAKSA-N 3 2 312.461 3.316 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288784 436419295 /nfs/dbraw/zinc/41/92/95/436419295.db2.gz ZOIOKKCWJJLEOK-MAUKXSAKSA-N 3 2 312.461 3.316 20 0 DGADLP CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288784 436419299 /nfs/dbraw/zinc/41/92/99/436419299.db2.gz ZOIOKKCWJJLEOK-MAUKXSAKSA-N 2 2 312.461 3.316 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288704 436419320 /nfs/dbraw/zinc/41/93/20/436419320.db2.gz YBVMGYOJVXZQGA-XJKSGUPXSA-N 2 2 323.868 3.131 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288704 436419323 /nfs/dbraw/zinc/41/93/23/436419323.db2.gz YBVMGYOJVXZQGA-XJKSGUPXSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658297247 436421866 /nfs/dbraw/zinc/42/18/66/436421866.db2.gz ZORMRYOLBOOCGP-TTYHFUOFSA-N 2 2 314.473 3.022 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+][C@@H](C)C[NH2+]C)cc1OCC ZINC000663509169 436472367 /nfs/dbraw/zinc/47/23/67/436472367.db2.gz HPZKECHTYHLXDU-LBPRGKRZSA-N 2 2 314.857 3.225 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000663508760 436472447 /nfs/dbraw/zinc/47/24/47/436472447.db2.gz DAWVBPVFJBZODU-CQSZACIVSA-N 2 2 324.428 3.138 20 0 DGADLP Cc1cc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc(C)[nH+]1 ZINC000659325333 436494920 /nfs/dbraw/zinc/49/49/20/436494920.db2.gz ONZQFAHDJGCXFF-GOSISDBHSA-N 2 2 323.440 3.007 20 0 DGADLP Cc1cn2c([nH+]1)CN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000663751606 436501394 /nfs/dbraw/zinc/50/13/94/436501394.db2.gz JDADBNAVLAGLMG-UHFFFAOYSA-N 2 2 324.472 3.193 20 0 DGADLP C[NH+](C)CC1CN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)C1 ZINC000663950759 436532474 /nfs/dbraw/zinc/53/24/74/436532474.db2.gz LPYIVKQYEUIPOM-UHFFFAOYSA-N 2 2 304.482 3.069 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000659883452 436554558 /nfs/dbraw/zinc/55/45/58/436554558.db2.gz TVJAFBLCHZEACH-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000659883452 436554561 /nfs/dbraw/zinc/55/45/61/436554561.db2.gz TVJAFBLCHZEACH-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655684377 436574477 /nfs/dbraw/zinc/57/44/77/436574477.db2.gz QJVPCVNVMABYNR-GUYCJALGSA-N 2 2 308.853 3.244 20 0 DGADLP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655685653 436574534 /nfs/dbraw/zinc/57/45/34/436574534.db2.gz KDYQTIDMXNNCMN-KSZLIROESA-N 2 2 308.510 3.434 20 0 DGADLP COc1cccc(SCC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000660064544 436583796 /nfs/dbraw/zinc/58/37/96/436583796.db2.gz QRQKTYVZIMGXJV-UHFFFAOYSA-N 2 2 308.491 3.250 20 0 DGADLP c1[nH]cc(C2CC[NH+](CCc3nsc4ccccc34)CC2)[nH+]1 ZINC000660093737 436588243 /nfs/dbraw/zinc/58/82/43/436588243.db2.gz FKXTXMGYRLIVNA-UHFFFAOYSA-N 2 2 312.442 3.442 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1OC(F)F ZINC000660148355 436595188 /nfs/dbraw/zinc/59/51/88/436595188.db2.gz UMWJDTWKIIJQOP-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1OC(F)F ZINC000660148355 436595190 /nfs/dbraw/zinc/59/51/90/436595190.db2.gz UMWJDTWKIIJQOP-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)Cc1ncc[nH]1 ZINC000660141044 436595306 /nfs/dbraw/zinc/59/53/06/436595306.db2.gz DUYQAWZRJKXVFM-UHFFFAOYSA-N 2 2 311.433 3.370 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)Cc1ncc[nH]1 ZINC000660141044 436595310 /nfs/dbraw/zinc/59/53/10/436595310.db2.gz DUYQAWZRJKXVFM-UHFFFAOYSA-N 2 2 311.433 3.370 20 0 DGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422707846 302182921 /nfs/dbraw/zinc/18/29/21/302182921.db2.gz IBTPYVMXUVIJOI-LNLFQRSKSA-N 2 2 304.478 3.439 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1F ZINC000309756871 303378353 /nfs/dbraw/zinc/37/83/53/303378353.db2.gz YRVQGMFPOSOQIS-UHFFFAOYSA-N 2 2 308.347 3.455 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1F ZINC000309756871 303378357 /nfs/dbraw/zinc/37/83/57/303378357.db2.gz YRVQGMFPOSOQIS-UHFFFAOYSA-N 2 2 308.347 3.455 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000376818484 312989095 /nfs/dbraw/zinc/98/90/95/312989095.db2.gz KEOWIQSTURJLKU-UHFFFAOYSA-N 2 2 304.463 3.101 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528730239 313068197 /nfs/dbraw/zinc/06/81/97/313068197.db2.gz XSYGDGLKACZXRK-KRWDZBQOSA-N 2 2 302.462 3.243 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000528730184 313068383 /nfs/dbraw/zinc/06/83/83/313068383.db2.gz XAGSZMQQDOVEFR-UHFFFAOYSA-N 2 2 322.880 3.069 20 0 DGADLP c1cc2ccc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2[nH]1 ZINC000529527102 313216784 /nfs/dbraw/zinc/21/67/84/313216784.db2.gz BBJLVIRNOUUQJE-MRXNPFEDSA-N 2 2 306.413 3.497 20 0 DGADLP c1cc2ccc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2[nH]1 ZINC000529527102 313216786 /nfs/dbraw/zinc/21/67/86/313216786.db2.gz BBJLVIRNOUUQJE-MRXNPFEDSA-N 2 2 306.413 3.497 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529530345 313217351 /nfs/dbraw/zinc/21/73/51/313217351.db2.gz DMQKJLXZWCBEOI-CQSZACIVSA-N 2 2 319.399 3.497 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(C(F)(F)F)c1 ZINC000529532038 313219607 /nfs/dbraw/zinc/21/96/07/313219607.db2.gz HIXDLHYZXXCYTE-GFCCVEGCSA-N 2 2 316.367 3.098 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(C(F)(F)F)c1 ZINC000529532038 313219610 /nfs/dbraw/zinc/21/96/10/313219610.db2.gz HIXDLHYZXXCYTE-GFCCVEGCSA-N 2 2 316.367 3.098 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cn2)[C@H]1c1cccs1 ZINC000529546885 313224132 /nfs/dbraw/zinc/22/41/32/313224132.db2.gz GZPBZGNQFKQNGK-DYVFJYSZSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cn2)[C@H]1c1cccs1 ZINC000529546885 313224134 /nfs/dbraw/zinc/22/41/34/313224134.db2.gz GZPBZGNQFKQNGK-DYVFJYSZSA-N 2 2 319.449 3.455 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[NH2+]C34CCC4)s2)cc1 ZINC000530179263 313334845 /nfs/dbraw/zinc/33/48/45/313334845.db2.gz RZFDSOVQTWTMNO-INIZCTEOSA-N 2 2 313.470 3.493 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2[nH]c(=O)oc2c1 ZINC000530219270 313341276 /nfs/dbraw/zinc/34/12/76/313341276.db2.gz ZNSTWGRQKQSFTK-JKSUJKDBSA-N 2 2 315.417 3.105 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1C(C)(C)C ZINC000530330077 313358395 /nfs/dbraw/zinc/35/83/95/313358395.db2.gz NJIZPYUVUDIKLV-AWEZNQCLSA-N 2 2 303.454 3.274 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+](CC)CC ZINC000531051727 313427750 /nfs/dbraw/zinc/42/77/50/313427750.db2.gz RPMSXYCDEBBLPV-INIZCTEOSA-N 2 2 300.406 3.136 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000531191467 313439274 /nfs/dbraw/zinc/43/92/74/313439274.db2.gz XLVMKFPPWOBSAL-SJLPKXTDSA-N 2 2 314.477 3.325 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000531684631 313480589 /nfs/dbraw/zinc/48/05/89/313480589.db2.gz SSYWIDUFKYABNP-HOTGVXAUSA-N 2 2 301.434 3.454 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCOCC1 ZINC000532465188 313552112 /nfs/dbraw/zinc/55/21/12/313552112.db2.gz JEYBRTJRQKKAGF-KRWDZBQOSA-N 2 2 317.408 3.306 20 0 DGADLP CCc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)nc(C)[nH+]1 ZINC000542007536 314052832 /nfs/dbraw/zinc/05/28/32/314052832.db2.gz JLMSLHDZKGUICE-YFHOEESVSA-N 2 2 322.456 3.183 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000542663104 314089729 /nfs/dbraw/zinc/08/97/29/314089729.db2.gz QHIMSICJWLZVKY-OTWHNJEPSA-N 2 2 310.445 3.028 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cncnc1)C[NH+]1CCCCC1 ZINC000542670524 314090261 /nfs/dbraw/zinc/09/02/61/314090261.db2.gz GUXRLFINMVEIRJ-PXNSSMCTSA-N 2 2 324.472 3.278 20 0 DGADLP c1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)c2cncnc2)cc1 ZINC000542671447 314090618 /nfs/dbraw/zinc/09/06/18/314090618.db2.gz SGASJXWYPCLTNA-IBGZPJMESA-N 2 2 310.445 3.032 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000544578623 314200435 /nfs/dbraw/zinc/20/04/35/314200435.db2.gz DXYKQAYNNJKOCE-FQEVSTJZSA-N 2 2 324.472 3.276 20 0 DGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000545150677 314228408 /nfs/dbraw/zinc/22/84/08/314228408.db2.gz OQBHNUAUQSZAAA-UHFFFAOYSA-N 2 2 314.351 3.327 20 0 DGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000545150677 314228409 /nfs/dbraw/zinc/22/84/09/314228409.db2.gz OQBHNUAUQSZAAA-UHFFFAOYSA-N 2 2 314.351 3.327 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000546655648 314318664 /nfs/dbraw/zinc/31/86/64/314318664.db2.gz APVNKNLQDZFZFQ-BMFZPTHFSA-N 2 2 324.428 3.136 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000546655648 314318665 /nfs/dbraw/zinc/31/86/65/314318665.db2.gz APVNKNLQDZFZFQ-BMFZPTHFSA-N 2 2 324.428 3.136 20 0 DGADLP CC1=CC[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CC1 ZINC000556253597 314750567 /nfs/dbraw/zinc/75/05/67/314750567.db2.gz LPYAQGQYXFKJTR-DOTOQJQBSA-N 2 2 300.450 3.133 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]CC2Cc3ccccc3C2)c[nH+]1 ZINC000558567214 314849836 /nfs/dbraw/zinc/84/98/36/314849836.db2.gz ZTFJVRJEUXVAHJ-UHFFFAOYSA-N 2 2 303.409 3.377 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)ccn1 ZINC000559914634 314894972 /nfs/dbraw/zinc/89/49/72/314894972.db2.gz GPOHAUZIUMSVMJ-CYBMUJFWSA-N 2 2 310.401 3.099 20 0 DGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000562297727 315007658 /nfs/dbraw/zinc/00/76/58/315007658.db2.gz SGIJEVGSFGVXEP-UHFFFAOYSA-N 2 2 323.400 3.425 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000562518054 315026239 /nfs/dbraw/zinc/02/62/39/315026239.db2.gz FDKGZANUKCRPFW-GIYDNNGJSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000562518054 315026242 /nfs/dbraw/zinc/02/62/42/315026242.db2.gz FDKGZANUKCRPFW-GIYDNNGJSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)(CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C1CC1 ZINC000562737441 315049451 /nfs/dbraw/zinc/04/94/51/315049451.db2.gz ZJFLWECZEDYECO-UHFFFAOYSA-N 2 2 322.416 3.449 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000563153339 315083398 /nfs/dbraw/zinc/08/33/98/315083398.db2.gz SXGHCZNENFADMP-LLVKDONJSA-N 2 2 323.412 3.259 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000563153339 315083401 /nfs/dbraw/zinc/08/34/01/315083401.db2.gz SXGHCZNENFADMP-LLVKDONJSA-N 2 2 323.412 3.259 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@@H]2C ZINC000563354662 315105398 /nfs/dbraw/zinc/10/53/98/315105398.db2.gz NMNFKYYOZHEQJW-LSDHHAIUSA-N 2 2 313.445 3.369 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@@H]2C ZINC000563354662 315105401 /nfs/dbraw/zinc/10/54/01/315105401.db2.gz NMNFKYYOZHEQJW-LSDHHAIUSA-N 2 2 313.445 3.369 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC3(C)C)CC2)c1 ZINC000563738023 315135502 /nfs/dbraw/zinc/13/55/02/315135502.db2.gz IVKUZNWOYGCQPF-LJQANCHMSA-N 2 2 315.505 3.285 20 0 DGADLP c1cc(-c2ncc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)cs1 ZINC000564418559 315174926 /nfs/dbraw/zinc/17/49/26/315174926.db2.gz DUHRHJPDVIEXGM-LLVKDONJSA-N 2 2 316.455 3.242 20 0 DGADLP c1cc(-c2ncc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)s2)cs1 ZINC000564418559 315174927 /nfs/dbraw/zinc/17/49/27/315174927.db2.gz DUHRHJPDVIEXGM-LLVKDONJSA-N 2 2 316.455 3.242 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000564701914 315192923 /nfs/dbraw/zinc/19/29/23/315192923.db2.gz LJJFXBLJOFFPSM-CABCVRRESA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000564701914 315192926 /nfs/dbraw/zinc/19/29/26/315192926.db2.gz LJJFXBLJOFFPSM-CABCVRRESA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000565298562 315250798 /nfs/dbraw/zinc/25/07/98/315250798.db2.gz FDURYTSIRWRHCY-DNVCBOLYSA-N 2 2 314.429 3.084 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCc3c[nH+]cn3C)nc2c1 ZINC000566018037 315305330 /nfs/dbraw/zinc/30/53/30/315305330.db2.gz SLAGWBWQOLMZBQ-GOSISDBHSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCc3c[nH+]cn3C)nc2c1 ZINC000566018037 315305331 /nfs/dbraw/zinc/30/53/31/315305331.db2.gz SLAGWBWQOLMZBQ-GOSISDBHSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@H+]3CCCc3c[nH+]cn3C)[nH]c2c1 ZINC000566018037 315305333 /nfs/dbraw/zinc/30/53/33/315305333.db2.gz SLAGWBWQOLMZBQ-GOSISDBHSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCc3c[nH+]cn3C)[nH]c2c1 ZINC000566018037 315305335 /nfs/dbraw/zinc/30/53/35/315305335.db2.gz SLAGWBWQOLMZBQ-GOSISDBHSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1Br ZINC000566059963 315308186 /nfs/dbraw/zinc/30/81/86/315308186.db2.gz KIRHMZBFPBTWGH-LRDDRELGSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1Br ZINC000566059963 315308187 /nfs/dbraw/zinc/30/81/87/315308187.db2.gz KIRHMZBFPBTWGH-LRDDRELGSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566170928 315319950 /nfs/dbraw/zinc/31/99/50/315319950.db2.gz WCJOXJANHBYVQQ-SJLPKXTDSA-N 3 2 301.478 3.175 20 0 DGADLP CC(C)c1nc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c2ccccn21 ZINC000566338538 315336087 /nfs/dbraw/zinc/33/60/87/315336087.db2.gz OXDMBECIDWWGJT-UHFFFAOYSA-N 2 2 319.412 3.395 20 0 DGADLP C[C@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000566424256 315344237 /nfs/dbraw/zinc/34/42/37/315344237.db2.gz JVHKKHJDBXCXSO-QZTJIDSGSA-N 2 2 316.489 3.193 20 0 DGADLP C[C@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000566424256 315344239 /nfs/dbraw/zinc/34/42/39/315344239.db2.gz JVHKKHJDBXCXSO-QZTJIDSGSA-N 2 2 316.489 3.193 20 0 DGADLP O=C(Nc1c[nH+]c2n1CCCC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000566660673 315365573 /nfs/dbraw/zinc/36/55/73/315365573.db2.gz VYYVGWZOFUGIOK-UHFFFAOYSA-N 2 2 324.428 3.068 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)nc2c1 ZINC000566961442 315386454 /nfs/dbraw/zinc/38/64/54/315386454.db2.gz QLNWNIFCUJRGDI-HUUCEWRRSA-N 2 2 300.450 3.272 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)[nH]c2c1 ZINC000566961442 315386455 /nfs/dbraw/zinc/38/64/55/315386455.db2.gz QLNWNIFCUJRGDI-HUUCEWRRSA-N 2 2 300.450 3.272 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](CO)c2ccccc2Cl)c[nH+]1 ZINC000567651415 315438593 /nfs/dbraw/zinc/43/85/93/315438593.db2.gz VGPRNEFZHGGFEQ-MRXNPFEDSA-N 2 2 318.848 3.342 20 0 DGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000570708631 315668869 /nfs/dbraw/zinc/66/88/69/315668869.db2.gz HYDZCBHWLBEFCC-OKZBNKHCSA-N 2 2 311.429 3.352 20 0 DGADLP CC1CCC(O)(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000571993700 315759082 /nfs/dbraw/zinc/75/90/82/315759082.db2.gz GRGYVKSFIMTPAJ-UHFFFAOYSA-N 2 2 301.434 3.026 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000572354998 315786688 /nfs/dbraw/zinc/78/66/88/315786688.db2.gz HKXVWKOTIKUWBU-YWZLYKJASA-N 2 2 323.440 3.099 20 0 DGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000574987220 316021890 /nfs/dbraw/zinc/02/18/90/316021890.db2.gz NFWMZCXGNOIVFG-OAHLLOKOSA-N 2 2 314.433 3.348 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000575115303 316034649 /nfs/dbraw/zinc/03/46/49/316034649.db2.gz URQVOMCPRMYGRA-FHWLQOOXSA-N 2 2 321.424 3.219 20 0 DGADLP Cc1ccc([C@H](C[NH2+]CC2(O)CCCC2)[NH+]2CCCC2)cc1 ZINC000576508521 316137625 /nfs/dbraw/zinc/13/76/25/316137625.db2.gz GHCREXYVZKOZPG-SFHVURJKSA-N 2 2 302.462 3.027 20 0 DGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000577038345 316195382 /nfs/dbraw/zinc/19/53/82/316195382.db2.gz BZGLLJGHOATXNV-NVXWUHKLSA-N 2 2 324.428 3.017 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000578009805 316293866 /nfs/dbraw/zinc/29/38/66/316293866.db2.gz GFIHYAWUIUFJAS-MOPGFXCFSA-N 3 2 303.494 3.423 20 0 DGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCCN(c2ccccc2)C1 ZINC000180322732 323226941 /nfs/dbraw/zinc/22/69/41/323226941.db2.gz FWMNTJITCWWROO-GOSISDBHSA-N 2 2 320.440 3.435 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H](c1[nH+]ccn1C)C1CC1)CC(C)C ZINC000183243303 323330841 /nfs/dbraw/zinc/33/08/41/323330841.db2.gz GGFGQVTVLXQINE-SJORKVTESA-N 2 2 306.498 3.217 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(C)ccc2Br)n1C ZINC000578248723 323709138 /nfs/dbraw/zinc/70/91/38/323709138.db2.gz QIZPKZWHHWMCSL-UHFFFAOYSA-N 2 2 308.223 3.089 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000579194547 323835202 /nfs/dbraw/zinc/83/52/02/323835202.db2.gz UWGULVXVVNBDMA-FZKCQIBNSA-N 2 2 308.491 3.431 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Br)cc(F)c1F ZINC000579722708 323910271 /nfs/dbraw/zinc/91/02/71/323910271.db2.gz OZKCEKZSIPCIBL-LLVKDONJSA-N 2 2 321.209 3.190 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@]3(C)C(C)C)c2cc1C ZINC000580185770 323968645 /nfs/dbraw/zinc/96/86/45/323968645.db2.gz VWLURRMHZQSJNV-ATZDWAIDSA-N 2 2 315.461 3.038 20 0 DGADLP CO[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000580461708 324001183 /nfs/dbraw/zinc/00/11/83/324001183.db2.gz DBVPOVHBEHFTPC-BBWFWOEESA-N 2 2 308.853 3.196 20 0 DGADLP CO[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000580461708 324001187 /nfs/dbraw/zinc/00/11/87/324001187.db2.gz DBVPOVHBEHFTPC-BBWFWOEESA-N 2 2 308.853 3.196 20 0 DGADLP CO[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000580461708 324001192 /nfs/dbraw/zinc/00/11/92/324001192.db2.gz DBVPOVHBEHFTPC-BBWFWOEESA-N 2 2 308.853 3.196 20 0 DGADLP CO[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000580461708 324001194 /nfs/dbraw/zinc/00/11/94/324001194.db2.gz DBVPOVHBEHFTPC-BBWFWOEESA-N 2 2 308.853 3.196 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580647775 324022094 /nfs/dbraw/zinc/02/20/94/324022094.db2.gz WDZALOXKSVOACJ-OAHLLOKOSA-N 2 2 314.351 3.161 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580647775 324022099 /nfs/dbraw/zinc/02/20/99/324022099.db2.gz WDZALOXKSVOACJ-OAHLLOKOSA-N 2 2 314.351 3.161 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000581110165 324074957 /nfs/dbraw/zinc/07/49/57/324074957.db2.gz WHLBWNFXIYWDKA-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000581110165 324074960 /nfs/dbraw/zinc/07/49/60/324074960.db2.gz WHLBWNFXIYWDKA-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP CC(C)C(C[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(C)C ZINC000581145604 324080737 /nfs/dbraw/zinc/08/07/37/324080737.db2.gz GYJBIZUFBXTNLF-MOPGFXCFSA-N 2 2 318.505 3.140 20 0 DGADLP CC(C)C(C[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(C)C ZINC000581145604 324080741 /nfs/dbraw/zinc/08/07/41/324080741.db2.gz GYJBIZUFBXTNLF-MOPGFXCFSA-N 2 2 318.505 3.140 20 0 DGADLP CC[N@@H+]1CCC[C@@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000581314865 324103870 /nfs/dbraw/zinc/10/38/70/324103870.db2.gz HWRDBYKRQXSLDV-OAHLLOKOSA-N 2 2 300.450 3.032 20 0 DGADLP CC[N@H+]1CCC[C@@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000581314865 324103874 /nfs/dbraw/zinc/10/38/74/324103874.db2.gz HWRDBYKRQXSLDV-OAHLLOKOSA-N 2 2 300.450 3.032 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000581364033 324109795 /nfs/dbraw/zinc/10/97/95/324109795.db2.gz KMOMODYHJNVUBR-MJVIPROJSA-N 2 2 317.260 3.005 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000581409489 324114531 /nfs/dbraw/zinc/11/45/31/324114531.db2.gz UTQZOGPUFCVYFD-HKUYNNGSSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000581409489 324114533 /nfs/dbraw/zinc/11/45/33/324114533.db2.gz UTQZOGPUFCVYFD-HKUYNNGSSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)[nH]1 ZINC000581601926 324134608 /nfs/dbraw/zinc/13/46/08/324134608.db2.gz AKJMBGGOKJGTHJ-BPUTZDHNSA-N 2 2 313.449 3.072 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041643 324181254 /nfs/dbraw/zinc/18/12/54/324181254.db2.gz QXTUKURGNXNKEW-QAPCUYQASA-N 2 2 308.441 3.225 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041643 324181257 /nfs/dbraw/zinc/18/12/57/324181257.db2.gz QXTUKURGNXNKEW-QAPCUYQASA-N 2 2 308.441 3.225 20 0 DGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000582368757 324222051 /nfs/dbraw/zinc/22/20/51/324222051.db2.gz QOSOQTOYNONJJT-HUUCEWRRSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]CC2(C)CC2)CCOCC1)c1ccccc1 ZINC000583298520 324336353 /nfs/dbraw/zinc/33/63/53/324336353.db2.gz CIJUUZPAVWYKFD-MRXNPFEDSA-N 2 2 302.462 3.276 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675598 324382986 /nfs/dbraw/zinc/38/29/86/324382986.db2.gz DCFZKLMDMRZCIS-FUHWJXTLSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675598 324382987 /nfs/dbraw/zinc/38/29/87/324382987.db2.gz DCFZKLMDMRZCIS-FUHWJXTLSA-N 2 2 322.880 3.154 20 0 DGADLP CC(C)c1nnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000583674468 324383026 /nfs/dbraw/zinc/38/30/26/324383026.db2.gz CQJPBEBSRHKOIA-UHFFFAOYSA-N 2 2 310.511 3.214 20 0 DGADLP CC(C)c1nnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000583674468 324383029 /nfs/dbraw/zinc/38/30/29/324383029.db2.gz CQJPBEBSRHKOIA-UHFFFAOYSA-N 2 2 310.511 3.214 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431084139 533712111 /nfs/dbraw/zinc/71/21/11/533712111.db2.gz NTQBAZFODIHHCD-CYBMUJFWSA-N 2 2 302.422 3.073 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431084139 533712120 /nfs/dbraw/zinc/71/21/20/533712120.db2.gz NTQBAZFODIHHCD-CYBMUJFWSA-N 2 2 302.422 3.073 20 0 DGADLP c1ccc(COc2ccc[nH+]c2N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000584400955 337318757 /nfs/dbraw/zinc/31/87/57/337318757.db2.gz MJEFOJXTYJICEU-FQEVSTJZSA-N 2 2 323.440 3.241 20 0 DGADLP Cn1ncc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC000584563533 337362867 /nfs/dbraw/zinc/36/28/67/337362867.db2.gz KELSEPNXZHUESF-UHFFFAOYSA-N 2 2 317.396 3.049 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)sc2C1 ZINC000432783867 533784254 /nfs/dbraw/zinc/78/42/54/533784254.db2.gz DHLHGMYONHLDNJ-UONOGXRCSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)sc2C1 ZINC000432783867 533784262 /nfs/dbraw/zinc/78/42/62/533784262.db2.gz DHLHGMYONHLDNJ-UONOGXRCSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000415027084 533868084 /nfs/dbraw/zinc/86/80/84/533868084.db2.gz VYEZEZCUPRCJKH-CQSZACIVSA-N 3 2 309.885 3.021 20 0 DGADLP Cc1ccc(C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CC2)cc1C ZINC000431070778 533905014 /nfs/dbraw/zinc/90/50/14/533905014.db2.gz ZBBIVCKJLQJQMC-UHFFFAOYSA-N 2 2 314.433 3.045 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CC2)cc1C ZINC000431070778 533905034 /nfs/dbraw/zinc/90/50/34/533905034.db2.gz ZBBIVCKJLQJQMC-UHFFFAOYSA-N 2 2 314.433 3.045 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)oc1C ZINC000432829031 533926380 /nfs/dbraw/zinc/92/63/80/533926380.db2.gz LSMFNAGYWPQBQB-ZFWWWQNUSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)oc1C ZINC000432829031 533926388 /nfs/dbraw/zinc/92/63/88/533926388.db2.gz LSMFNAGYWPQBQB-ZFWWWQNUSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)oc1C ZINC000432829031 533926395 /nfs/dbraw/zinc/92/63/95/533926395.db2.gz LSMFNAGYWPQBQB-ZFWWWQNUSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)oc1C ZINC000432829031 533926406 /nfs/dbraw/zinc/92/64/06/533926406.db2.gz LSMFNAGYWPQBQB-ZFWWWQNUSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)oc1C ZINC000432779612 533927183 /nfs/dbraw/zinc/92/71/83/533927183.db2.gz DSQKVZOBJPQGFD-NSHDSACASA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1cc([C@H](C)[NH+]2CCC(c3c[nH+]c[nH]3)CC2)oc1C ZINC000432779612 533927190 /nfs/dbraw/zinc/92/71/90/533927190.db2.gz DSQKVZOBJPQGFD-NSHDSACASA-N 2 2 317.389 3.038 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)C[NH+](C)C ZINC000292817782 534062225 /nfs/dbraw/zinc/06/22/25/534062225.db2.gz WTONVEGANOXMJQ-ZDUSSCGKSA-N 2 2 305.447 3.113 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553348 534086575 /nfs/dbraw/zinc/08/65/75/534086575.db2.gz WXHKEGMSVURSAW-IPYPFGDCSA-N 2 2 308.853 3.322 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553348 534086585 /nfs/dbraw/zinc/08/65/85/534086585.db2.gz WXHKEGMSVURSAW-IPYPFGDCSA-N 2 2 308.853 3.322 20 0 DGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)ccc2n1 ZINC000415060136 534471115 /nfs/dbraw/zinc/47/11/15/534471115.db2.gz YAUJSPDHNAZECX-PZJWPPBQSA-N 2 2 317.436 3.388 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cs2)c1 ZINC000415077534 534514189 /nfs/dbraw/zinc/51/41/89/534514189.db2.gz FJWDRHDUQDBRKV-SOUVJXGZSA-N 2 2 317.458 3.413 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCn1cccn1)c1ccccc1 ZINC000157461803 520839860 /nfs/dbraw/zinc/83/98/60/520839860.db2.gz CZEUCIALOMDZFA-MJGOQNOKSA-N 2 2 314.477 3.334 20 0 DGADLP [NH3+]C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)cs2)CC1 ZINC000434664882 534567840 /nfs/dbraw/zinc/56/78/40/534567840.db2.gz XSRRSKAPVGPKAM-UHFFFAOYSA-N 2 2 307.850 3.387 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)c(Br)c2)C1 ZINC000157051860 522045970 /nfs/dbraw/zinc/04/59/70/522045970.db2.gz FDGXAXUOCNCURB-AWEZNQCLSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(Br)c2)C1 ZINC000157051860 522045977 /nfs/dbraw/zinc/04/59/77/522045977.db2.gz FDGXAXUOCNCURB-AWEZNQCLSA-N 2 2 311.267 3.189 20 0 DGADLP Clc1cccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431142397 534646958 /nfs/dbraw/zinc/64/69/58/534646958.db2.gz FJCWJUWBCXXWGV-KRWDZBQOSA-N 2 2 318.804 3.267 20 0 DGADLP Clc1cccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431142397 534646961 /nfs/dbraw/zinc/64/69/61/534646961.db2.gz FJCWJUWBCXXWGV-KRWDZBQOSA-N 2 2 318.804 3.267 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000305632564 534690946 /nfs/dbraw/zinc/69/09/46/534690946.db2.gz GIRPKBMZWARRIL-CQSZACIVSA-N 2 2 309.413 3.188 20 0 DGADLP Cc1nc(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc[nH+]1 ZINC000440309767 534757484 /nfs/dbraw/zinc/75/74/84/534757484.db2.gz ZJTWSBRFYLLBRR-UHFFFAOYSA-N 2 2 302.466 3.122 20 0 DGADLP Cc1cccc2[nH+]c(CCc3nc([C@@H]([NH3+])CC(C)C)no3)[nH]c21 ZINC000339395565 524974824 /nfs/dbraw/zinc/97/48/24/524974824.db2.gz TYZDETPRWRSUGQ-LBPRGKRZSA-N 2 2 313.405 3.085 20 0 DGADLP Cc1cccc2[nH]c(CCc3nc([C@@H]([NH3+])CC(C)C)no3)[nH+]c21 ZINC000339395565 524974835 /nfs/dbraw/zinc/97/48/35/524974835.db2.gz TYZDETPRWRSUGQ-LBPRGKRZSA-N 2 2 313.405 3.085 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccncc1 ZINC000156434671 525468477 /nfs/dbraw/zinc/46/84/77/525468477.db2.gz QZCDPHXEHKABQZ-MRXNPFEDSA-N 2 2 306.413 3.220 20 0 DGADLP c1[nH+]c2ccccn2c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000157526992 526610155 /nfs/dbraw/zinc/61/01/55/526610155.db2.gz OLDHBKGFURCRNV-UHFFFAOYSA-N 2 2 320.440 3.042 20 0 DGADLP c1[nH+]c2ccccn2c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000157526992 526610157 /nfs/dbraw/zinc/61/01/57/526610157.db2.gz OLDHBKGFURCRNV-UHFFFAOYSA-N 2 2 320.440 3.042 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420363952 526621049 /nfs/dbraw/zinc/62/10/49/526621049.db2.gz OMDJPVJEMQLPHO-OAHLLOKOSA-N 2 2 307.825 3.458 20 0 DGADLP Brc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000415082074 526644676 /nfs/dbraw/zinc/64/46/76/526644676.db2.gz LRAIIEFTYQHYKF-CABCVRRESA-N 2 2 309.251 3.242 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000163357327 527399669 /nfs/dbraw/zinc/39/96/69/527399669.db2.gz HCTMNKLODCDUDJ-UHFFFAOYSA-N 2 2 305.372 3.308 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000163357327 527399675 /nfs/dbraw/zinc/39/96/75/527399675.db2.gz HCTMNKLODCDUDJ-UHFFFAOYSA-N 2 2 305.372 3.308 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435612355 527922429 /nfs/dbraw/zinc/92/24/29/527922429.db2.gz FXVFQZFUKOYECS-HNNXBMFYSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435612355 527922432 /nfs/dbraw/zinc/92/24/32/527922432.db2.gz FXVFQZFUKOYECS-HNNXBMFYSA-N 2 2 323.868 3.051 20 0 DGADLP CCC[NH+](CCC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429727209 528060174 /nfs/dbraw/zinc/06/01/74/528060174.db2.gz UUTVIXUERIJHAP-IBGZPJMESA-N 2 2 304.478 3.400 20 0 DGADLP CCC[NH+](CCC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429727209 528060176 /nfs/dbraw/zinc/06/01/76/528060176.db2.gz UUTVIXUERIJHAP-IBGZPJMESA-N 2 2 304.478 3.400 20 0 DGADLP CCC[N@H+](Cc1nc2ccccc2n1C(F)F)C1CC[NH2+]CC1 ZINC000431095309 528154678 /nfs/dbraw/zinc/15/46/78/528154678.db2.gz FEKKASXDLFCRHA-UHFFFAOYSA-N 2 2 322.403 3.395 20 0 DGADLP CCC[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CC[NH2+]CC1 ZINC000431095309 528154687 /nfs/dbraw/zinc/15/46/87/528154687.db2.gz FEKKASXDLFCRHA-UHFFFAOYSA-N 2 2 322.403 3.395 20 0 DGADLP CC(C)Oc1cccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000320889804 528243082 /nfs/dbraw/zinc/24/30/82/528243082.db2.gz UJQCAWOYHHRHTK-AWEZNQCLSA-N 2 2 316.449 3.124 20 0 DGADLP CC(C)c1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000428303595 528247800 /nfs/dbraw/zinc/24/78/00/528247800.db2.gz SVZSXUTZJRMEJT-UHFFFAOYSA-N 2 2 319.497 3.016 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423370382 528423654 /nfs/dbraw/zinc/42/36/54/528423654.db2.gz CZYIYEZFDZMRMK-YGRLFVJLSA-N 2 2 302.340 3.160 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(OC)cc1OC ZINC000444570174 528450444 /nfs/dbraw/zinc/45/04/44/528450444.db2.gz HDJHTDXEVXGBPG-UHFFFAOYSA-N 2 2 320.477 3.402 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(OC)cc1OC ZINC000444570174 528450449 /nfs/dbraw/zinc/45/04/49/528450449.db2.gz HDJHTDXEVXGBPG-UHFFFAOYSA-N 2 2 320.477 3.402 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423387001 528948475 /nfs/dbraw/zinc/94/84/75/528948475.db2.gz LVNZNQOYJMHOOQ-RTBURBONSA-N 2 2 324.472 3.128 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2[nH+]1 ZINC000430691809 529045397 /nfs/dbraw/zinc/04/53/97/529045397.db2.gz OVCZVYGKWVQNDE-UHFFFAOYSA-N 2 2 314.433 3.363 20 0 DGADLP CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000429273168 529128957 /nfs/dbraw/zinc/12/89/57/529128957.db2.gz FRSCDFHGGTZKHG-UHFFFAOYSA-N 2 2 318.852 3.137 20 0 DGADLP CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000429273168 529128958 /nfs/dbraw/zinc/12/89/58/529128958.db2.gz FRSCDFHGGTZKHG-UHFFFAOYSA-N 2 2 318.852 3.137 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC([NH2+]C)CC1 ZINC000469998855 535494347 /nfs/dbraw/zinc/49/43/47/535494347.db2.gz ISWXHVSZOJFING-OAHLLOKOSA-N 2 2 321.484 3.492 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H]1SC ZINC000459384472 535503097 /nfs/dbraw/zinc/50/30/97/535503097.db2.gz CXQGJUVDNLYLMT-WNRNVDISSA-N 2 2 322.518 3.096 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)c1 ZINC000449618876 536910542 /nfs/dbraw/zinc/91/05/42/536910542.db2.gz MGJZCAVOKJSLTC-QBWPOKONSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)c1 ZINC000449618876 536910548 /nfs/dbraw/zinc/91/05/48/536910548.db2.gz MGJZCAVOKJSLTC-QBWPOKONSA-N 2 2 300.446 3.014 20 0 DGADLP CC(C)(CCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188095 545824508 /nfs/dbraw/zinc/82/45/08/545824508.db2.gz YFZFCIBLDOFYLN-QGZVFWFLSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(CCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188095 545824513 /nfs/dbraw/zinc/82/45/13/545824513.db2.gz YFZFCIBLDOFYLN-QGZVFWFLSA-N 2 2 304.478 3.038 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H](C)C1 ZINC000090228445 545824989 /nfs/dbraw/zinc/82/49/89/545824989.db2.gz BCIHGORUXACMBB-RNCFNFMXSA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H](C)C1 ZINC000090228445 545824994 /nfs/dbraw/zinc/82/49/94/545824994.db2.gz BCIHGORUXACMBB-RNCFNFMXSA-N 2 2 304.331 3.063 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000090717822 545831429 /nfs/dbraw/zinc/83/14/29/545831429.db2.gz DRKSFSJYIWTXNJ-MSOLQXFVSA-N 2 2 302.462 3.054 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000090717822 545831431 /nfs/dbraw/zinc/83/14/31/545831431.db2.gz DRKSFSJYIWTXNJ-MSOLQXFVSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123417439 545906392 /nfs/dbraw/zinc/90/63/92/545906392.db2.gz MMXPKVNYTYGUFY-MOPGFXCFSA-N 2 2 316.489 3.269 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000151056692 545991110 /nfs/dbraw/zinc/99/11/10/545991110.db2.gz JRIHTFWHLRWBPO-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166161550 546095082 /nfs/dbraw/zinc/09/50/82/546095082.db2.gz ITOBCSXKTWRNBV-QUCCMNQESA-N 2 2 316.489 3.476 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000223038361 546266331 /nfs/dbraw/zinc/26/63/31/546266331.db2.gz SREQLBVTELDDDG-XHDPSFHLSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000223038361 546266336 /nfs/dbraw/zinc/26/63/36/546266336.db2.gz SREQLBVTELDDDG-XHDPSFHLSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000223038295 546266725 /nfs/dbraw/zinc/26/67/25/546266725.db2.gz SREQLBVTELDDDG-IAQYHMDHSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000223038295 546266729 /nfs/dbraw/zinc/26/67/29/546266729.db2.gz SREQLBVTELDDDG-IAQYHMDHSA-N 2 2 309.251 3.120 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000228178636 546268467 /nfs/dbraw/zinc/26/84/67/546268467.db2.gz XNSLOGYSQLEFBN-HIFRSBDPSA-N 2 2 301.459 3.430 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000228178636 546268470 /nfs/dbraw/zinc/26/84/70/546268470.db2.gz XNSLOGYSQLEFBN-HIFRSBDPSA-N 2 2 301.459 3.430 20 0 DGADLP CC[C@@H](C[NH2+]Cc1ccc(O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000236988518 546284022 /nfs/dbraw/zinc/28/40/22/546284022.db2.gz UATLWCDNSMPTHX-IBGZPJMESA-N 2 2 310.441 3.319 20 0 DGADLP CC[C@@H](C[NH2+]Cc1ccc(O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000236988518 546284026 /nfs/dbraw/zinc/28/40/26/546284026.db2.gz UATLWCDNSMPTHX-IBGZPJMESA-N 2 2 310.441 3.319 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000270089510 546354063 /nfs/dbraw/zinc/35/40/63/546354063.db2.gz WWIYGKSIQNADNQ-MRXNPFEDSA-N 2 2 321.428 3.421 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ncc[nH]1 ZINC000285653995 546398897 /nfs/dbraw/zinc/39/88/97/546398897.db2.gz MKECQYYSVMBUAA-JKSUJKDBSA-N 2 2 312.461 3.492 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ncc[nH]1 ZINC000285653995 546398901 /nfs/dbraw/zinc/39/89/01/546398901.db2.gz MKECQYYSVMBUAA-JKSUJKDBSA-N 2 2 312.461 3.492 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000312592658 546453146 /nfs/dbraw/zinc/45/31/46/546453146.db2.gz RAFZXQOLTKSCGV-YPMHNXCESA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000312592658 546453148 /nfs/dbraw/zinc/45/31/48/546453148.db2.gz RAFZXQOLTKSCGV-YPMHNXCESA-N 2 2 319.276 3.345 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000319317342 546464693 /nfs/dbraw/zinc/46/46/93/546464693.db2.gz MJAXDLKCAPOLBY-GUYCJALGSA-N 2 2 317.458 3.272 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000319317342 546464696 /nfs/dbraw/zinc/46/46/96/546464696.db2.gz MJAXDLKCAPOLBY-GUYCJALGSA-N 2 2 317.458 3.272 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)C1 ZINC000343444066 546564276 /nfs/dbraw/zinc/56/42/76/546564276.db2.gz PBOUNPBSCDKDAB-PASDCYSWSA-N 2 2 316.493 3.114 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)C1 ZINC000343444066 546564283 /nfs/dbraw/zinc/56/42/83/546564283.db2.gz PBOUNPBSCDKDAB-PASDCYSWSA-N 2 2 316.493 3.114 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000379677998 546734935 /nfs/dbraw/zinc/73/49/35/546734935.db2.gz DRRCKKCVOFOPFA-MSOLQXFVSA-N 2 2 304.478 3.038 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000379677998 546734938 /nfs/dbraw/zinc/73/49/38/546734938.db2.gz DRRCKKCVOFOPFA-MSOLQXFVSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000381105868 546737151 /nfs/dbraw/zinc/73/71/51/546737151.db2.gz BAHKTNZFPYFUPO-DKKFBQAASA-N 2 2 304.478 3.300 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000381105868 546737156 /nfs/dbraw/zinc/73/71/56/546737156.db2.gz BAHKTNZFPYFUPO-DKKFBQAASA-N 2 2 304.478 3.300 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000381116747 546737383 /nfs/dbraw/zinc/73/73/83/546737383.db2.gz DDMSHOFBWLIPPJ-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000381116747 546737389 /nfs/dbraw/zinc/73/73/89/546737389.db2.gz DDMSHOFBWLIPPJ-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1OC(F)(F)F)C2 ZINC000390026563 546752627 /nfs/dbraw/zinc/75/26/27/546752627.db2.gz XSNLTPOSFGRLKH-ZFWWWQNUSA-N 2 2 314.351 3.146 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1OC(F)(F)F)C2 ZINC000390026563 546752632 /nfs/dbraw/zinc/75/26/32/546752632.db2.gz XSNLTPOSFGRLKH-ZFWWWQNUSA-N 2 2 314.351 3.146 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389850205 546753204 /nfs/dbraw/zinc/75/32/04/546753204.db2.gz USMPIVCXQNNGOX-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389850205 546753210 /nfs/dbraw/zinc/75/32/10/546753210.db2.gz USMPIVCXQNNGOX-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@H](c3ccccc3)C1)C2 ZINC000453378989 546859715 /nfs/dbraw/zinc/85/97/15/546859715.db2.gz ZWZOSNQYJZWRLE-BGVWBIDGSA-N 3 2 313.489 3.037 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@H](c3ccccc3)C1)C2 ZINC000453378989 546859723 /nfs/dbraw/zinc/85/97/23/546859723.db2.gz ZWZOSNQYJZWRLE-BGVWBIDGSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453378989 546859728 /nfs/dbraw/zinc/85/97/28/546859728.db2.gz ZWZOSNQYJZWRLE-BGVWBIDGSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453378989 546859732 /nfs/dbraw/zinc/85/97/32/546859732.db2.gz ZWZOSNQYJZWRLE-BGVWBIDGSA-N 3 2 313.489 3.037 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2nccn21 ZINC000453344669 546860047 /nfs/dbraw/zinc/86/00/47/546860047.db2.gz JBRZRJQXUOCFSQ-NRSFXHEJSA-N 2 2 310.445 3.314 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2nccn21 ZINC000453344669 546860048 /nfs/dbraw/zinc/86/00/48/546860048.db2.gz JBRZRJQXUOCFSQ-NRSFXHEJSA-N 2 2 310.445 3.314 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486815313 546914930 /nfs/dbraw/zinc/91/49/30/546914930.db2.gz NMPLBNRGNPEHKU-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000486815313 546914933 /nfs/dbraw/zinc/91/49/33/546914933.db2.gz NMPLBNRGNPEHKU-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000667119264 547096783 /nfs/dbraw/zinc/09/67/83/547096783.db2.gz NFCWUUJNSCKGJN-UHFFFAOYSA-N 2 2 306.454 3.249 20 0 DGADLP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000667119264 547096786 /nfs/dbraw/zinc/09/67/86/547096786.db2.gz NFCWUUJNSCKGJN-UHFFFAOYSA-N 2 2 306.454 3.249 20 0 DGADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(C3CCCC3)c2)CC1 ZINC000667464320 547190624 /nfs/dbraw/zinc/19/06/24/547190624.db2.gz NVWJFSGEZKDTJJ-UHFFFAOYSA-N 2 2 316.489 3.233 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1C ZINC000667571266 547231576 /nfs/dbraw/zinc/23/15/76/547231576.db2.gz REVNAYCKTUAZBT-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1C ZINC000667571266 547231578 /nfs/dbraw/zinc/23/15/78/547231578.db2.gz REVNAYCKTUAZBT-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)n1C ZINC000667599045 547240595 /nfs/dbraw/zinc/24/05/95/547240595.db2.gz JUHDPVVGMCUOOH-UHFFFAOYSA-N 2 2 305.372 3.386 20 0 DGADLP C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667603611 547240852 /nfs/dbraw/zinc/24/08/52/547240852.db2.gz NMSUDJHFGLNYHR-OAHLLOKOSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667603611 547240857 /nfs/dbraw/zinc/24/08/57/547240857.db2.gz NMSUDJHFGLNYHR-OAHLLOKOSA-N 2 2 304.397 3.387 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664244 547264940 /nfs/dbraw/zinc/26/49/40/547264940.db2.gz GOFKVKHHPYBWGA-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664244 547264934 /nfs/dbraw/zinc/26/49/34/547264934.db2.gz GOFKVKHHPYBWGA-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664244 547264946 /nfs/dbraw/zinc/26/49/46/547264946.db2.gz GOFKVKHHPYBWGA-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664244 547264951 /nfs/dbraw/zinc/26/49/51/547264951.db2.gz GOFKVKHHPYBWGA-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CCO[C@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668348 547267709 /nfs/dbraw/zinc/26/77/09/547267709.db2.gz KLAAETJFZWTBOR-SJORKVTESA-N 2 2 305.466 3.288 20 0 DGADLP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668348 547267710 /nfs/dbraw/zinc/26/77/10/547267710.db2.gz KLAAETJFZWTBOR-SJORKVTESA-N 2 2 305.466 3.288 20 0 DGADLP COCc1csc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000667698649 547279354 /nfs/dbraw/zinc/27/93/54/547279354.db2.gz IVYXVMMRIPJBJS-CZUORRHYSA-N 2 2 305.447 3.174 20 0 DGADLP COCc1csc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000667698649 547279356 /nfs/dbraw/zinc/27/93/56/547279356.db2.gz IVYXVMMRIPJBJS-CZUORRHYSA-N 2 2 305.447 3.174 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000667698451 547279391 /nfs/dbraw/zinc/27/93/91/547279391.db2.gz CVEVIWVYURUEQP-BXUZGUMPSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000667698451 547279395 /nfs/dbraw/zinc/27/93/95/547279395.db2.gz CVEVIWVYURUEQP-BXUZGUMPSA-N 2 2 309.335 3.384 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000667762497 547295552 /nfs/dbraw/zinc/29/55/52/547295552.db2.gz ZABVUBBUYWMAMV-FHWLQOOXSA-N 2 2 302.462 3.009 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1C ZINC000667983863 547354445 /nfs/dbraw/zinc/35/44/45/547354445.db2.gz CJQOOCUXNUQJGB-AEFFLSMTSA-N 2 2 317.408 3.220 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1C ZINC000667983863 547354451 /nfs/dbraw/zinc/35/44/51/547354451.db2.gz CJQOOCUXNUQJGB-AEFFLSMTSA-N 2 2 317.408 3.220 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000668011398 547361082 /nfs/dbraw/zinc/36/10/82/547361082.db2.gz AATJSNUGTBJONN-VAMGGRTRSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000668011398 547361087 /nfs/dbraw/zinc/36/10/87/547361087.db2.gz AATJSNUGTBJONN-VAMGGRTRSA-N 2 2 314.473 3.198 20 0 DGADLP C[NH+](C)Cc1ccc(NCc2c[nH+]c3n2CCC3)cc1Cl ZINC000668095595 547380923 /nfs/dbraw/zinc/38/09/23/547380923.db2.gz LGJFXSBEMNOKCH-UHFFFAOYSA-N 2 2 304.825 3.156 20 0 DGADLP CCCn1nccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000668164842 547399118 /nfs/dbraw/zinc/39/91/18/547399118.db2.gz HRAPMLPXCQYEEH-UHFFFAOYSA-N 2 2 315.465 3.182 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1)CC(C)C ZINC000668168459 547399589 /nfs/dbraw/zinc/39/95/89/547399589.db2.gz YHNLNQINDMFCGJ-UHFFFAOYSA-N 3 2 320.525 3.309 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1)CC(C)C ZINC000668168459 547399596 /nfs/dbraw/zinc/39/95/96/547399596.db2.gz YHNLNQINDMFCGJ-UHFFFAOYSA-N 3 2 320.525 3.309 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000668169635 547401411 /nfs/dbraw/zinc/40/14/11/547401411.db2.gz WPADZORIKCUHLF-AWEZNQCLSA-N 2 2 315.392 3.090 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000668169635 547401414 /nfs/dbraw/zinc/40/14/14/547401414.db2.gz WPADZORIKCUHLF-AWEZNQCLSA-N 2 2 315.392 3.090 20 0 DGADLP C[N@H+](Cc1cc(Br)c(Cl)s1)CC1C[NH+](C)C1 ZINC000668540185 547474880 /nfs/dbraw/zinc/47/48/80/547474880.db2.gz YYQMYDXLXXIQNF-UHFFFAOYSA-N 2 2 323.687 3.157 20 0 DGADLP CCCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCc2ncsc2C1 ZINC000668279075 547434842 /nfs/dbraw/zinc/43/48/42/547434842.db2.gz UPIZMUNBERFYEA-AWEZNQCLSA-N 2 2 318.490 3.345 20 0 DGADLP COC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1cccc(OC)c1 ZINC000668511943 547470050 /nfs/dbraw/zinc/47/00/50/547470050.db2.gz NKWSHCUXKSDSDD-LJQANCHMSA-N 2 2 314.429 3.309 20 0 DGADLP C[N@@H+](Cc1cc(Br)c(Cl)s1)CC1C[NH+](C)C1 ZINC000668540185 547474877 /nfs/dbraw/zinc/47/48/77/547474877.db2.gz YYQMYDXLXXIQNF-UHFFFAOYSA-N 2 2 323.687 3.157 20 0 DGADLP c1cn(-c2csc(C[NH+]3CCC(c4ccon4)CC3)c2)c[nH+]1 ZINC000668714154 547517479 /nfs/dbraw/zinc/51/74/79/547517479.db2.gz LUCJKTWBWNYEJG-UHFFFAOYSA-N 2 2 314.414 3.301 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CCO1 ZINC000668785874 547541188 /nfs/dbraw/zinc/54/11/88/547541188.db2.gz ZZPQVZNFPSWSCC-RCFWFJCLSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CCO1 ZINC000668785874 547541192 /nfs/dbraw/zinc/54/11/92/547541192.db2.gz ZZPQVZNFPSWSCC-RCFWFJCLSA-N 2 2 324.415 3.021 20 0 DGADLP COCCC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614728 547660982 /nfs/dbraw/zinc/66/09/82/547660982.db2.gz LTBUUPIPJMZCFX-MOPGFXCFSA-N 2 2 320.452 3.367 20 0 DGADLP COCCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614728 547660985 /nfs/dbraw/zinc/66/09/85/547660985.db2.gz LTBUUPIPJMZCFX-MOPGFXCFSA-N 2 2 320.452 3.367 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985181 547766924 /nfs/dbraw/zinc/76/69/24/547766924.db2.gz CQEKHTUDILCAJZ-RTBURBONSA-N 2 2 302.462 3.324 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985181 547766928 /nfs/dbraw/zinc/76/69/28/547766928.db2.gz CQEKHTUDILCAJZ-RTBURBONSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986938 547767273 /nfs/dbraw/zinc/76/72/73/547767273.db2.gz ZTCYFQVEHVHBBJ-QAPCUYQASA-N 2 2 306.425 3.073 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986938 547767276 /nfs/dbraw/zinc/76/72/76/547767276.db2.gz ZTCYFQVEHVHBBJ-QAPCUYQASA-N 2 2 306.425 3.073 20 0 DGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986789 547768104 /nfs/dbraw/zinc/76/81/04/547768104.db2.gz IKNLYQLCFVERFS-FQEVSTJZSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1ccccc1CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986789 547768109 /nfs/dbraw/zinc/76/81/09/547768109.db2.gz IKNLYQLCFVERFS-FQEVSTJZSA-N 2 2 316.489 3.114 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)[N@@H+]1CCc2ccccc2C1 ZINC000671098898 547769359 /nfs/dbraw/zinc/76/93/59/547769359.db2.gz ZDUJTEIFPWWNCB-CRAIPNDOSA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)[N@H+]1CCc2ccccc2C1 ZINC000671098898 547769363 /nfs/dbraw/zinc/76/93/63/547769363.db2.gz ZDUJTEIFPWWNCB-CRAIPNDOSA-N 2 2 304.478 3.226 20 0 DGADLP Fc1ccc(/C=C\C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000671719539 547815772 /nfs/dbraw/zinc/81/57/72/547815772.db2.gz RQNPIXHFWSYNAE-ARJAWSKDSA-N 2 2 303.356 3.301 20 0 DGADLP CCc1nc(N2CCC[N@H+](Cc3ccccc3C)CC2)cc(C)[nH+]1 ZINC000672162946 547858996 /nfs/dbraw/zinc/85/89/96/547858996.db2.gz YKCBQNHUXKBWAA-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP CCc1nc(N2CCC[N@@H+](Cc3ccccc3C)CC2)cc(C)[nH+]1 ZINC000672162946 547858999 /nfs/dbraw/zinc/85/89/99/547858999.db2.gz YKCBQNHUXKBWAA-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)c2ccncc2)n1-c1ccccc1 ZINC000674490658 548084331 /nfs/dbraw/zinc/08/43/31/548084331.db2.gz WEPBBYJGYWGSMQ-OAHLLOKOSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000674880473 548129239 /nfs/dbraw/zinc/12/92/39/548129239.db2.gz JXXDIJSWJIOKFC-MBOZVWFJSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000674880473 548129243 /nfs/dbraw/zinc/12/92/43/548129243.db2.gz JXXDIJSWJIOKFC-MBOZVWFJSA-N 2 2 309.457 3.295 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000675733807 548261330 /nfs/dbraw/zinc/26/13/30/548261330.db2.gz MYQZZLYEXCTNCA-CYBMUJFWSA-N 2 2 324.440 3.368 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765571 548266525 /nfs/dbraw/zinc/26/65/25/548266525.db2.gz LLUDCCIFUPMBSC-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765571 548266529 /nfs/dbraw/zinc/26/65/29/548266529.db2.gz LLUDCCIFUPMBSC-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920350 548292047 /nfs/dbraw/zinc/29/20/47/548292047.db2.gz KDMFYORNZNLHHH-KDOFPFPSSA-N 2 2 323.444 3.097 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923097 548292425 /nfs/dbraw/zinc/29/24/25/548292425.db2.gz RNTVKFHMNJKSPF-ROUUACIJSA-N 2 2 315.461 3.355 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923095 548292584 /nfs/dbraw/zinc/29/25/84/548292584.db2.gz RNTVKFHMNJKSPF-QZTJIDSGSA-N 2 2 315.461 3.355 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(C)s1 ZINC000676491009 548368659 /nfs/dbraw/zinc/36/86/59/548368659.db2.gz VKGWLMDUHSAURO-LLVKDONJSA-N 2 2 300.431 3.301 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2(C)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749105 548549273 /nfs/dbraw/zinc/54/92/73/548549273.db2.gz FPLGZTVUNNPGEF-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2(C)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000677749105 548549278 /nfs/dbraw/zinc/54/92/78/548549278.db2.gz FPLGZTVUNNPGEF-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748997 548549396 /nfs/dbraw/zinc/54/93/96/548549396.db2.gz GABBYANIOYFXOC-HQRMLTQVSA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748997 548549397 /nfs/dbraw/zinc/54/93/97/548549397.db2.gz GABBYANIOYFXOC-HQRMLTQVSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCOC1 ZINC000677806790 548559263 /nfs/dbraw/zinc/55/92/63/548559263.db2.gz ODNKXGRHIMHITP-CGTJXYLNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCOC1 ZINC000677806790 548559265 /nfs/dbraw/zinc/55/92/65/548559265.db2.gz ODNKXGRHIMHITP-CGTJXYLNSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000678234700 548649311 /nfs/dbraw/zinc/64/93/11/548649311.db2.gz JXGKVCZDOOXSSQ-SFHVURJKSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000678234700 548649314 /nfs/dbraw/zinc/64/93/14/548649314.db2.gz JXGKVCZDOOXSSQ-SFHVURJKSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678234429 548649321 /nfs/dbraw/zinc/64/93/21/548649321.db2.gz DPBRULTWWOXGHK-OAHLLOKOSA-N 2 2 311.389 3.012 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678234429 548649323 /nfs/dbraw/zinc/64/93/23/548649323.db2.gz DPBRULTWWOXGHK-OAHLLOKOSA-N 2 2 311.389 3.012 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678234479 548649534 /nfs/dbraw/zinc/64/95/34/548649534.db2.gz GDLKDKHHOYIICO-INIZCTEOSA-N 2 2 315.417 3.128 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678234479 548649538 /nfs/dbraw/zinc/64/95/38/548649538.db2.gz GDLKDKHHOYIICO-INIZCTEOSA-N 2 2 315.417 3.128 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464117 548709977 /nfs/dbraw/zinc/70/99/77/548709977.db2.gz YNZPRSSNIYPOEZ-GJZGRUSLSA-N 2 2 300.406 3.181 20 0 DGADLP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464117 548709979 /nfs/dbraw/zinc/70/99/79/548709979.db2.gz YNZPRSSNIYPOEZ-GJZGRUSLSA-N 2 2 300.406 3.181 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000678497728 548716747 /nfs/dbraw/zinc/71/67/47/548716747.db2.gz JFKTWQOHYWYICN-IHJVYAAUSA-N 2 2 316.489 3.180 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000678497728 548716752 /nfs/dbraw/zinc/71/67/52/548716752.db2.gz JFKTWQOHYWYICN-IHJVYAAUSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000678929807 548795114 /nfs/dbraw/zinc/79/51/14/548795114.db2.gz NZVBICQEKKVKAR-YZGWKJHDSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000678929807 548795119 /nfs/dbraw/zinc/79/51/19/548795119.db2.gz NZVBICQEKKVKAR-YZGWKJHDSA-N 2 2 316.489 3.182 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992382 548807401 /nfs/dbraw/zinc/80/74/01/548807401.db2.gz HATMSJSDLPLTQX-OAHLLOKOSA-N 2 2 319.518 3.186 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992382 548807408 /nfs/dbraw/zinc/80/74/08/548807408.db2.gz HATMSJSDLPLTQX-OAHLLOKOSA-N 2 2 319.518 3.186 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992382 548807412 /nfs/dbraw/zinc/80/74/12/548807412.db2.gz HATMSJSDLPLTQX-OAHLLOKOSA-N 2 2 319.518 3.186 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992382 548807416 /nfs/dbraw/zinc/80/74/16/548807416.db2.gz HATMSJSDLPLTQX-OAHLLOKOSA-N 2 2 319.518 3.186 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991874 548808121 /nfs/dbraw/zinc/80/81/21/548808121.db2.gz DGPMXEFEBLEQNL-ZIAGYGMSSA-N 2 2 307.507 3.327 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991874 548808125 /nfs/dbraw/zinc/80/81/25/548808125.db2.gz DGPMXEFEBLEQNL-ZIAGYGMSSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991874 548808130 /nfs/dbraw/zinc/80/81/30/548808130.db2.gz DGPMXEFEBLEQNL-ZIAGYGMSSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991874 548808134 /nfs/dbraw/zinc/80/81/34/548808134.db2.gz DGPMXEFEBLEQNL-ZIAGYGMSSA-N 2 2 307.507 3.327 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000679937975 548966399 /nfs/dbraw/zinc/96/63/99/548966399.db2.gz LMDSYLLHJDBPGB-LJQANCHMSA-N 2 2 312.461 3.008 20 0 DGADLP Cc1[nH+]ccn1CCN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679937975 548966401 /nfs/dbraw/zinc/96/64/01/548966401.db2.gz LMDSYLLHJDBPGB-LJQANCHMSA-N 2 2 312.461 3.008 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCOc4ccccc4C3)c2)c[nH+]1 ZINC000680326737 549028223 /nfs/dbraw/zinc/02/82/23/549028223.db2.gz HYGNNZHUWFVVTO-UHFFFAOYSA-N 2 2 311.410 3.328 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CCOc4ccccc4C3)c2)c[nH+]1 ZINC000680326737 549028228 /nfs/dbraw/zinc/02/82/28/549028228.db2.gz HYGNNZHUWFVVTO-UHFFFAOYSA-N 2 2 311.410 3.328 20 0 DGADLP c1cc([C@@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n[nH]1 ZINC000680327863 549028575 /nfs/dbraw/zinc/02/85/75/549028575.db2.gz YSOADSGCRHGIGM-CYBMUJFWSA-N 2 2 313.430 3.037 20 0 DGADLP c1cc([C@@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n[nH]1 ZINC000680327863 549028579 /nfs/dbraw/zinc/02/85/79/549028579.db2.gz YSOADSGCRHGIGM-CYBMUJFWSA-N 2 2 313.430 3.037 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081747 549157009 /nfs/dbraw/zinc/15/70/09/549157009.db2.gz FNCGUIAVFPZSSO-XLIONFOSSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081747 549157013 /nfs/dbraw/zinc/15/70/13/549157013.db2.gz FNCGUIAVFPZSSO-XLIONFOSSA-N 2 2 309.457 3.439 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000681976861 549270836 /nfs/dbraw/zinc/27/08/36/549270836.db2.gz NBEYRERHFINXAQ-RTBURBONSA-N 2 2 316.489 3.098 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682072039 549282643 /nfs/dbraw/zinc/28/26/43/549282643.db2.gz QVFMKOUCNWEAIA-HOCLYGCPSA-N 2 2 313.449 3.250 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682072039 549282647 /nfs/dbraw/zinc/28/26/47/549282647.db2.gz QVFMKOUCNWEAIA-HOCLYGCPSA-N 2 2 313.449 3.250 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682134315 549294777 /nfs/dbraw/zinc/29/47/77/549294777.db2.gz HPQIURZQIZYXQL-RDJZCZTQSA-N 2 2 321.428 3.153 20 0 DGADLP Cc1ccnc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000683011022 549415311 /nfs/dbraw/zinc/41/53/11/549415311.db2.gz CVSOSUMMOPLREZ-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccnc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000683011022 549415313 /nfs/dbraw/zinc/41/53/13/549415313.db2.gz CVSOSUMMOPLREZ-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccnc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000683011022 549415315 /nfs/dbraw/zinc/41/53/15/549415315.db2.gz CVSOSUMMOPLREZ-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccnc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000683011022 549415317 /nfs/dbraw/zinc/41/53/17/549415317.db2.gz CVSOSUMMOPLREZ-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000683019320 549415674 /nfs/dbraw/zinc/41/56/74/549415674.db2.gz PZPOHRFWTJNAGT-UHFFFAOYSA-N 2 2 303.356 3.412 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000683693774 549520540 /nfs/dbraw/zinc/52/05/40/549520540.db2.gz DANNNUBOSFWIFF-AEFFLSMTSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000683693774 549520543 /nfs/dbraw/zinc/52/05/43/549520543.db2.gz DANNNUBOSFWIFF-AEFFLSMTSA-N 2 2 304.865 3.414 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000683897756 549552617 /nfs/dbraw/zinc/55/26/17/549552617.db2.gz HLJRGSPGJDOHRL-KRWDZBQOSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000683897756 549552622 /nfs/dbraw/zinc/55/26/22/549552622.db2.gz HLJRGSPGJDOHRL-KRWDZBQOSA-N 2 2 305.466 3.379 20 0 DGADLP C[NH+](C)[C@H]1CCOc2c(NCc3c[nH+]c4ccccn34)cccc21 ZINC000683933555 549559765 /nfs/dbraw/zinc/55/97/65/549559765.db2.gz VKTDZECEMRKDLC-KRWDZBQOSA-N 2 2 322.412 3.332 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)[NH+](C)C)cc1 ZINC000684368410 549620192 /nfs/dbraw/zinc/62/01/92/549620192.db2.gz HVGPTOPJMJBSDB-OTWHNJEPSA-N 2 2 304.478 3.399 20 0 DGADLP Cc1ccncc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684381017 549623540 /nfs/dbraw/zinc/62/35/40/549623540.db2.gz AZAQDFHXBNZRJC-GOSISDBHSA-N 2 2 306.413 3.197 20 0 DGADLP Oc1cccc2c(NCCc3cn4c([nH+]3)CCCC4)cc[nH+]c12 ZINC000684567396 549661402 /nfs/dbraw/zinc/66/14/02/549661402.db2.gz IWKOSVPBYIDUDM-UHFFFAOYSA-N 2 2 308.385 3.128 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613798 549669096 /nfs/dbraw/zinc/66/90/96/549669096.db2.gz MIYUXIAVRYNRBP-XHDPSFHLSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613798 549669098 /nfs/dbraw/zinc/66/90/98/549669098.db2.gz MIYUXIAVRYNRBP-XHDPSFHLSA-N 2 2 301.261 3.466 20 0 DGADLP C[NH+](C)Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1Cl ZINC000684996360 549731888 /nfs/dbraw/zinc/73/18/88/549731888.db2.gz SSHVMLCSWHQVOQ-UHFFFAOYSA-N 2 2 320.824 3.017 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000685421689 549756679 /nfs/dbraw/zinc/75/66/79/549756679.db2.gz AEJNKBOQSQIVLU-XYJFISCASA-N 3 2 303.494 3.279 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2C)C[N@H+](Cc2ccccc2)C1 ZINC000685443853 549761507 /nfs/dbraw/zinc/76/15/07/549761507.db2.gz DSXLJXWWWXJLPL-UMGGQSCQSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2C)C[N@@H+](Cc2ccccc2)C1 ZINC000685443853 549761508 /nfs/dbraw/zinc/76/15/08/549761508.db2.gz DSXLJXWWWXJLPL-UMGGQSCQSA-N 2 2 316.489 3.159 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3[nH]nc4ccccc43)CC2)c[nH+]1 ZINC000685459630 549764623 /nfs/dbraw/zinc/76/46/23/549764623.db2.gz UHGAISIJIAKWBR-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3n[nH]c4ccccc43)CC2)c[nH+]1 ZINC000685459630 549764625 /nfs/dbraw/zinc/76/46/25/549764625.db2.gz UHGAISIJIAKWBR-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP C[NH+]1CCC(N(Cc2ccco2)Cc2c[nH+]c3ccccn23)CC1 ZINC000685467058 549766285 /nfs/dbraw/zinc/76/62/85/549766285.db2.gz VTWDGLGSBMOLRC-UHFFFAOYSA-N 2 2 324.428 3.024 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC000685464835 549766846 /nfs/dbraw/zinc/76/68/46/549766846.db2.gz PPQUJXWONZVACG-OALUTQOASA-N 2 2 302.462 3.461 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC000685464835 549766848 /nfs/dbraw/zinc/76/68/48/549766848.db2.gz PPQUJXWONZVACG-OALUTQOASA-N 2 2 302.462 3.461 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000685613818 549780832 /nfs/dbraw/zinc/78/08/32/549780832.db2.gz BILDCXLNQVRQNZ-VOMSXAGXSA-N 2 2 310.388 3.375 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000685613818 549780836 /nfs/dbraw/zinc/78/08/36/549780836.db2.gz BILDCXLNQVRQNZ-VOMSXAGXSA-N 2 2 310.388 3.375 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000685852329 549800221 /nfs/dbraw/zinc/80/02/21/549800221.db2.gz VWYXIGRTMGDQGR-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000685852329 549800224 /nfs/dbraw/zinc/80/02/24/549800224.db2.gz VWYXIGRTMGDQGR-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP COCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000730816913 574536569 /nfs/dbraw/zinc/53/65/69/574536569.db2.gz DAYUKANEYLYMIK-LJQANCHMSA-N 2 2 310.441 3.164 20 0 DGADLP COCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000730816913 574536571 /nfs/dbraw/zinc/53/65/71/574536571.db2.gz DAYUKANEYLYMIK-LJQANCHMSA-N 2 2 310.441 3.164 20 0 DGADLP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453317 575453400 /nfs/dbraw/zinc/45/34/00/575453400.db2.gz GZUWLBJMHPXHDV-CVEARBPZSA-N 2 2 320.481 3.064 20 0 DGADLP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453317 575453402 /nfs/dbraw/zinc/45/34/02/575453402.db2.gz GZUWLBJMHPXHDV-CVEARBPZSA-N 2 2 320.481 3.064 20 0 DGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746461267 575454037 /nfs/dbraw/zinc/45/40/37/575454037.db2.gz XHWVAGBIYMBTKW-CYBMUJFWSA-N 2 2 321.465 3.386 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000746631604 575465248 /nfs/dbraw/zinc/46/52/48/575465248.db2.gz LHPWGGDAQWHFCO-UHFFFAOYSA-N 2 2 321.494 3.164 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000746631604 575465251 /nfs/dbraw/zinc/46/52/51/575465251.db2.gz LHPWGGDAQWHFCO-UHFFFAOYSA-N 2 2 321.494 3.164 20 0 DGADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000746662502 575467838 /nfs/dbraw/zinc/46/78/38/575467838.db2.gz BIHJLVQDYYFVMP-LJQANCHMSA-N 2 2 320.452 3.118 20 0 DGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)s1 ZINC000750824905 575754069 /nfs/dbraw/zinc/75/40/69/575754069.db2.gz DDEYLBONOQLDIQ-BLLLJJGKSA-N 2 2 323.506 3.054 20 0 DGADLP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000726606855 576032596 /nfs/dbraw/zinc/03/25/96/576032596.db2.gz DGRSDXFVKACTBR-LFIBNONCSA-N 2 2 304.397 3.460 20 0 DGADLP [NH3+]CCCCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852755325 620646147 /nfs/dbraw/zinc/64/61/47/620646147.db2.gz MTJRYZAJJHQYTD-LBPRGKRZSA-N 2 2 316.371 3.151 20 0 DGADLP [NH3+]CCCCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852755325 620646148 /nfs/dbraw/zinc/64/61/48/620646148.db2.gz MTJRYZAJJHQYTD-LBPRGKRZSA-N 2 2 316.371 3.151 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2nccc3c2CCCC3)CC1 ZINC000891560546 617835645 /nfs/dbraw/zinc/83/56/45/617835645.db2.gz CLBNBNHHAQLINT-UHFFFAOYSA-N 2 2 301.478 3.265 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2nccc3c2CCCC3)CC1 ZINC000891560546 617835649 /nfs/dbraw/zinc/83/56/49/617835649.db2.gz CLBNBNHHAQLINT-UHFFFAOYSA-N 2 2 301.478 3.265 20 0 DGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926215957 617885269 /nfs/dbraw/zinc/88/52/69/617885269.db2.gz DHFMZTFECZAMCK-GPMSIDNRSA-N 2 2 316.489 3.158 20 0 DGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926215957 617885271 /nfs/dbraw/zinc/88/52/71/617885271.db2.gz DHFMZTFECZAMCK-GPMSIDNRSA-N 2 2 316.489 3.158 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892121607 617966936 /nfs/dbraw/zinc/96/69/36/617966936.db2.gz TWFGDDYTJCQQLN-SFHVURJKSA-N 2 2 303.494 3.444 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892121607 617966937 /nfs/dbraw/zinc/96/69/37/617966937.db2.gz TWFGDDYTJCQQLN-SFHVURJKSA-N 2 2 303.494 3.444 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892237468 617992647 /nfs/dbraw/zinc/99/26/47/617992647.db2.gz ZOAOPTYZAQYGAS-WBMJQRKESA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892237468 617992650 /nfs/dbraw/zinc/99/26/50/617992650.db2.gz ZOAOPTYZAQYGAS-WBMJQRKESA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000892237468 617992654 /nfs/dbraw/zinc/99/26/54/617992654.db2.gz ZOAOPTYZAQYGAS-WBMJQRKESA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000892237468 617992658 /nfs/dbraw/zinc/99/26/58/617992658.db2.gz ZOAOPTYZAQYGAS-WBMJQRKESA-N 2 2 322.884 3.074 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)n1 ZINC000926539715 618043006 /nfs/dbraw/zinc/04/30/06/618043006.db2.gz HBZLWGUNIKYFBK-WODVXLOZSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Br)n1 ZINC000926539715 618043009 /nfs/dbraw/zinc/04/30/09/618043009.db2.gz HBZLWGUNIKYFBK-WODVXLOZSA-N 2 2 324.266 3.120 20 0 DGADLP Oc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000894472477 618342015 /nfs/dbraw/zinc/34/20/15/618342015.db2.gz RXMAKLIIWHPOMG-UHFFFAOYSA-N 2 2 317.408 3.420 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(CC(F)(F)F)s1 ZINC000894479937 618350214 /nfs/dbraw/zinc/35/02/14/618350214.db2.gz DYFYLFLDPKGXSL-UHFFFAOYSA-N 2 2 323.428 3.412 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(CC(F)(F)F)s1 ZINC000894479937 618350219 /nfs/dbraw/zinc/35/02/19/618350219.db2.gz DYFYLFLDPKGXSL-UHFFFAOYSA-N 2 2 323.428 3.412 20 0 DGADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cnc1F ZINC000893080971 618416903 /nfs/dbraw/zinc/41/69/03/618416903.db2.gz VMNYFEREPLVPBN-QGZVFWFLSA-N 2 2 324.403 3.336 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000893098514 618424077 /nfs/dbraw/zinc/42/40/77/618424077.db2.gz PTPVAMQEXOBIQS-NVXWUHKLSA-N 2 2 314.429 3.431 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000893098514 618424079 /nfs/dbraw/zinc/42/40/79/618424079.db2.gz PTPVAMQEXOBIQS-NVXWUHKLSA-N 2 2 314.429 3.431 20 0 DGADLP CCc1cc(N2CCC(C)([NH+]3CCCC3)CC2)nc(CC)[nH+]1 ZINC000894901624 618494120 /nfs/dbraw/zinc/49/41/20/618494120.db2.gz AKFXCERNNAUOPC-UHFFFAOYSA-N 2 2 302.466 3.056 20 0 DGADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)s1 ZINC000893326186 618515703 /nfs/dbraw/zinc/51/57/03/618515703.db2.gz CKTPPDRQDJDLLH-UHFFFAOYSA-N 2 2 318.490 3.231 20 0 DGADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000893326186 618515705 /nfs/dbraw/zinc/51/57/05/618515705.db2.gz CKTPPDRQDJDLLH-UHFFFAOYSA-N 2 2 318.490 3.231 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000925640790 618517403 /nfs/dbraw/zinc/51/74/03/618517403.db2.gz UUIGIRUGZIWHHC-YGRLFVJLSA-N 2 2 322.250 3.161 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676584 618526726 /nfs/dbraw/zinc/52/67/26/618526726.db2.gz KGRVCLLZKCWWPZ-WBMJQRKESA-N 2 2 323.362 3.321 20 0 DGADLP CC(C)[C@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110310 618539374 /nfs/dbraw/zinc/53/93/74/618539374.db2.gz IBVUAJLEMNDRAM-XLAORIBOSA-N 2 2 317.477 3.362 20 0 DGADLP CC[C@H]1C[C@@H](CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110407 618539455 /nfs/dbraw/zinc/53/94/55/618539455.db2.gz KXXVTOXNNLSDLY-XSLAGTTESA-N 2 2 317.477 3.363 20 0 DGADLP CC1(C)C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895114282 618541191 /nfs/dbraw/zinc/54/11/91/618541191.db2.gz KJLJUCGBAJKFHI-JYJNAYRXSA-N 2 2 303.450 3.116 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(C[C@@H]2CC2(Cl)Cl)c2cccc[nH+]2)CC1 ZINC000895116872 618541654 /nfs/dbraw/zinc/54/16/54/618541654.db2.gz VXJVEROENUVEHA-AVGNSLFASA-N 2 2 314.260 3.352 20 0 DGADLP CO[C@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C12CCC2 ZINC000895132697 618546636 /nfs/dbraw/zinc/54/66/36/618546636.db2.gz YOUQLJWIGPITBO-VQHPVUNQSA-N 2 2 315.461 3.116 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc3c2OCC3)c2cccc[nH+]2)CC1 ZINC000895132213 618546694 /nfs/dbraw/zinc/54/66/94/618546694.db2.gz QKTBDAGTMQKDSG-IYARVYRRSA-N 2 2 323.440 3.293 20 0 DGADLP Cc1cc(N2CCC(C)([NH+]3CCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000895161771 618559217 /nfs/dbraw/zinc/55/92/17/618559217.db2.gz ZSTOHGMSLUFYMU-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2)n1 ZINC000925784120 618619445 /nfs/dbraw/zinc/61/94/45/618619445.db2.gz GNUHPVOQJBVBCR-IPYPFGDCSA-N 2 2 301.459 3.316 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1C ZINC000925793586 618621146 /nfs/dbraw/zinc/62/11/46/618621146.db2.gz FWBOOTRKVGBIIV-IAGOWNOFSA-N 2 2 302.462 3.113 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1C ZINC000925793588 618621219 /nfs/dbraw/zinc/62/12/19/618621219.db2.gz FWBOOTRKVGBIIV-SJORKVTESA-N 2 2 302.462 3.113 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc(C)c1F ZINC000925796500 618621696 /nfs/dbraw/zinc/62/16/96/618621696.db2.gz MJFHPSDWWAKMQE-NVXWUHKLSA-N 2 2 320.452 3.252 20 0 DGADLP COc1cc(C)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1OC ZINC000893980797 618687193 /nfs/dbraw/zinc/68/71/93/618687193.db2.gz NTLCDZAMMWFWSG-UHFFFAOYSA-N 2 2 315.417 3.046 20 0 DGADLP Cc1ccnc(N)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000893998613 618691649 /nfs/dbraw/zinc/69/16/49/618691649.db2.gz KVEUNYWWWDCPEQ-QGZVFWFLSA-N 2 2 316.493 3.060 20 0 DGADLP Cc1ccnc(N)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000893998613 618691651 /nfs/dbraw/zinc/69/16/51/618691651.db2.gz KVEUNYWWWDCPEQ-QGZVFWFLSA-N 2 2 316.493 3.060 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000894079762 618707175 /nfs/dbraw/zinc/70/71/75/618707175.db2.gz GUFIGHWRFFLEGV-UHFFFAOYSA-N 2 2 324.424 3.368 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873393 618715047 /nfs/dbraw/zinc/71/50/47/618715047.db2.gz KUKOBMJBWVKNAJ-LSDHHAIUSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873393 618715050 /nfs/dbraw/zinc/71/50/50/618715050.db2.gz KUKOBMJBWVKNAJ-LSDHHAIUSA-N 2 2 318.490 3.044 20 0 DGADLP O=C(Nc1cccc2[nH+]ccn21)c1ccc(C[NH+]2CCCCC2)o1 ZINC000895507271 618792498 /nfs/dbraw/zinc/79/24/98/618792498.db2.gz NVOPDFYNRPMXJD-UHFFFAOYSA-N 2 2 324.384 3.166 20 0 DGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000895657836 618812913 /nfs/dbraw/zinc/81/29/13/618812913.db2.gz FCXZAMOIYCOODP-IBGZPJMESA-N 2 2 321.424 3.474 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000895671988 618816286 /nfs/dbraw/zinc/81/62/86/618816286.db2.gz SGHVBWXSXBOCBR-UHFFFAOYSA-N 2 2 316.474 3.198 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000895694606 618818054 /nfs/dbraw/zinc/81/80/54/618818054.db2.gz WNDLTDJNQBDWTQ-NVXWUHKLSA-N 2 2 314.429 3.146 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000895694606 618818057 /nfs/dbraw/zinc/81/80/57/618818057.db2.gz WNDLTDJNQBDWTQ-NVXWUHKLSA-N 2 2 314.429 3.146 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000896002270 618859574 /nfs/dbraw/zinc/85/95/74/618859574.db2.gz LWUGUTRGZYEYDT-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000896002270 618859575 /nfs/dbraw/zinc/85/95/75/618859575.db2.gz LWUGUTRGZYEYDT-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP C[C@H](CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1 ZINC000897227186 619032338 /nfs/dbraw/zinc/03/23/38/619032338.db2.gz BYPJAUMKPSGKTJ-VQIMIIECSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@H](CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1ccccc1 ZINC000897227186 619032341 /nfs/dbraw/zinc/03/23/41/619032341.db2.gz BYPJAUMKPSGKTJ-VQIMIIECSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178180 619067089 /nfs/dbraw/zinc/06/70/89/619067089.db2.gz HWPNYQUOQHHVHI-QFBILLFUSA-N 2 2 320.440 3.320 20 0 DGADLP COC(=O)C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000897888817 619192278 /nfs/dbraw/zinc/19/22/78/619192278.db2.gz IAZDLCKWUJNLLL-AWEZNQCLSA-N 2 2 321.446 3.001 20 0 DGADLP COC(=O)C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000897888818 619192412 /nfs/dbraw/zinc/19/24/12/619192412.db2.gz IAZDLCKWUJNLLL-CQSZACIVSA-N 2 2 321.446 3.001 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034951 619208407 /nfs/dbraw/zinc/20/84/07/619208407.db2.gz DLPJLSGRJBRVEJ-INIZCTEOSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034951 619208411 /nfs/dbraw/zinc/20/84/11/619208411.db2.gz DLPJLSGRJBRVEJ-INIZCTEOSA-N 2 2 317.477 3.034 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000923886382 619250289 /nfs/dbraw/zinc/25/02/89/619250289.db2.gz NCWWHVBGELQDPL-INIZCTEOSA-N 2 2 323.400 3.468 20 0 DGADLP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000923886382 619250291 /nfs/dbraw/zinc/25/02/91/619250291.db2.gz NCWWHVBGELQDPL-INIZCTEOSA-N 2 2 323.400 3.468 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651178 619253568 /nfs/dbraw/zinc/25/35/68/619253568.db2.gz WLYNXOYRXACLIG-LSDHHAIUSA-N 2 2 311.429 3.477 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651178 619253570 /nfs/dbraw/zinc/25/35/70/619253570.db2.gz WLYNXOYRXACLIG-LSDHHAIUSA-N 2 2 311.429 3.477 20 0 DGADLP [NH3+][C@@H]1CCc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc2C1 ZINC000899322750 619325860 /nfs/dbraw/zinc/32/58/60/619325860.db2.gz JSDULOWLAACTPA-HXUWFJFHSA-N 2 2 303.409 3.414 20 0 DGADLP CC(C)COC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000902364217 619627522 /nfs/dbraw/zinc/62/75/22/619627522.db2.gz PXURGFNAIAZEEP-JKSUJKDBSA-N 2 2 308.466 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)OCCCO2 ZINC000902440796 619636777 /nfs/dbraw/zinc/63/67/77/619636777.db2.gz ACZJJMBLMDPSLD-WSXQUGQNSA-N 2 2 324.424 3.123 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc2)c1 ZINC000902471386 619642574 /nfs/dbraw/zinc/64/25/74/619642574.db2.gz OMDVVRRVICECQV-FYZZASKESA-N 2 2 322.452 3.462 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cnn(CC2CCC2)c1 ZINC000902506632 619644668 /nfs/dbraw/zinc/64/46/68/619644668.db2.gz YZPYYDXGRPXCPI-MJXNMMHHSA-N 2 2 310.445 3.479 20 0 DGADLP Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902740543 619665594 /nfs/dbraw/zinc/66/55/94/619665594.db2.gz WRVFTAAYHAJOJW-AWEZNQCLSA-N 2 2 309.417 3.187 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761128 619671842 /nfs/dbraw/zinc/67/18/42/619671842.db2.gz KPYPLOPIJFCHJB-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761128 619671843 /nfs/dbraw/zinc/67/18/43/619671843.db2.gz KPYPLOPIJFCHJB-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902808280 619676321 /nfs/dbraw/zinc/67/63/21/619676321.db2.gz HOYMUKNEALGUKV-PBHICJAKSA-N 2 2 301.434 3.320 20 0 DGADLP Cc1ccc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000902799223 619678625 /nfs/dbraw/zinc/67/86/25/619678625.db2.gz BIGNRMMYZNXEHL-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP c1ccc(NCCC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)[nH+]c1 ZINC000902835298 619682237 /nfs/dbraw/zinc/68/22/37/619682237.db2.gz DDZNZUOLCXGIMM-ROUUACIJSA-N 2 2 317.477 3.459 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CSCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902840100 619682861 /nfs/dbraw/zinc/68/28/61/619682861.db2.gz YECLYWPMFIAKRE-BBRMVZONSA-N 2 2 319.499 3.372 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000902881362 619687800 /nfs/dbraw/zinc/68/78/00/619687800.db2.gz OZECTOLDZNJYTA-HIFRSBDPSA-N 2 2 309.417 3.186 20 0 DGADLP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902897187 619690078 /nfs/dbraw/zinc/69/00/78/619690078.db2.gz OMINPKQNZFIVOS-CRAIPNDOSA-N 2 2 313.445 3.320 20 0 DGADLP C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902956472 619697251 /nfs/dbraw/zinc/69/72/51/619697251.db2.gz ISXNTKGDJJRGLG-RHSMWYFYSA-N 2 2 311.385 3.240 20 0 DGADLP CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038112 619705590 /nfs/dbraw/zinc/70/55/90/619705590.db2.gz HGFUMRCXVUVOSE-MPGHIAIKSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085717 619713483 /nfs/dbraw/zinc/71/34/83/619713483.db2.gz YWVDUJXFKNOYTM-BEFAXECRSA-N 2 2 313.445 3.464 20 0 DGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903118484 619721343 /nfs/dbraw/zinc/72/13/43/619721343.db2.gz VRQFCVYDWJGLOT-SOXMVSPVSA-N 2 2 312.457 3.484 20 0 DGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903118484 619721347 /nfs/dbraw/zinc/72/13/47/619721347.db2.gz VRQFCVYDWJGLOT-SOXMVSPVSA-N 2 2 312.457 3.484 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162442 619727823 /nfs/dbraw/zinc/72/78/23/619727823.db2.gz GKTNPXFAYSFJOP-LCLWPZTBSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162442 619727825 /nfs/dbraw/zinc/72/78/25/619727825.db2.gz GKTNPXFAYSFJOP-LCLWPZTBSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903295913 619752668 /nfs/dbraw/zinc/75/26/68/619752668.db2.gz DRDDVSZGZULEFQ-BEFAXECRSA-N 2 2 313.445 3.464 20 0 DGADLP CO[C@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCSC1 ZINC000903309225 619757027 /nfs/dbraw/zinc/75/70/27/619757027.db2.gz DSGAOWDTPGQURI-PBHICJAKSA-N 2 2 317.458 3.045 20 0 DGADLP CO[C@@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCSC1 ZINC000903309227 619757153 /nfs/dbraw/zinc/75/71/53/619757153.db2.gz DSGAOWDTPGQURI-WMLDXEAASA-N 2 2 317.458 3.045 20 0 DGADLP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376865 619767779 /nfs/dbraw/zinc/76/77/79/619767779.db2.gz HYRBORXQIHEQBQ-KURKYZTESA-N 2 2 305.466 3.012 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1cccnc1 ZINC000903376592 619767841 /nfs/dbraw/zinc/76/78/41/619767841.db2.gz FWTKQOAHKGFLRA-IPMKNSEASA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382178 619769088 /nfs/dbraw/zinc/76/90/88/619769088.db2.gz DGDPHSNRIHWXPS-DNVCBOLYSA-N 2 2 315.436 3.434 20 0 DGADLP Cc1ncccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903416025 619772665 /nfs/dbraw/zinc/77/26/65/619772665.db2.gz OQIOFPFLXVTXBP-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000903732612 619805835 /nfs/dbraw/zinc/80/58/35/619805835.db2.gz GXUMWCTZGLTVNK-AOIWGVFYSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000903732612 619805837 /nfs/dbraw/zinc/80/58/37/619805837.db2.gz GXUMWCTZGLTVNK-AOIWGVFYSA-N 2 2 302.462 3.147 20 0 DGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805652 619816901 /nfs/dbraw/zinc/81/69/01/619816901.db2.gz QOLGQMWIGNEARX-VQHPVUNQSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805652 619816902 /nfs/dbraw/zinc/81/69/02/619816902.db2.gz QOLGQMWIGNEARX-VQHPVUNQSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000903821264 619819452 /nfs/dbraw/zinc/81/94/52/619819452.db2.gz INNNUFBSZLRARP-HZPDHXFCSA-N 2 2 304.340 3.002 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccccc3F)n1)C2 ZINC000903843472 619822872 /nfs/dbraw/zinc/82/28/72/619822872.db2.gz LNTDOGALKOMNTL-SCRDCRAPSA-N 2 2 317.433 3.261 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccccc3F)n1)C2 ZINC000903843472 619822873 /nfs/dbraw/zinc/82/28/73/619822873.db2.gz LNTDOGALKOMNTL-SCRDCRAPSA-N 2 2 317.433 3.261 20 0 DGADLP COc1ccc2cc(C[N@H+](C)C[C@H]([NH3+])CC(F)F)ccc2c1 ZINC000903878147 619828119 /nfs/dbraw/zinc/82/81/19/619828119.db2.gz RONYFNNGZJYWNW-OAHLLOKOSA-N 2 2 308.372 3.263 20 0 DGADLP COc1ccc2cc(C[N@@H+](C)C[C@H]([NH3+])CC(F)F)ccc2c1 ZINC000903878147 619828122 /nfs/dbraw/zinc/82/81/22/619828122.db2.gz RONYFNNGZJYWNW-OAHLLOKOSA-N 2 2 308.372 3.263 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000903899394 619830463 /nfs/dbraw/zinc/83/04/63/619830463.db2.gz UEXBQPSKQATOBB-STQMWFEESA-N 2 2 300.418 3.083 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000903899394 619830466 /nfs/dbraw/zinc/83/04/66/619830466.db2.gz UEXBQPSKQATOBB-STQMWFEESA-N 2 2 300.418 3.083 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1OC(F)F ZINC000903923315 619835113 /nfs/dbraw/zinc/83/51/13/619835113.db2.gz QGZRLFNWSXLBBC-ONGXEEELSA-N 2 2 308.319 3.311 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000903955125 619846326 /nfs/dbraw/zinc/84/63/26/619846326.db2.gz KYNQQKWDWQZZLU-LBPRGKRZSA-N 2 2 315.433 3.135 20 0 DGADLP c1sc2ccccc2c1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973224 619847654 /nfs/dbraw/zinc/84/76/54/619847654.db2.gz BOUFJTIUXMAFQX-OAHLLOKOSA-N 2 2 316.470 3.150 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@]1(C)CCC[NH2+]C1 ZINC000904337282 619912442 /nfs/dbraw/zinc/91/24/42/619912442.db2.gz SZYRYTJJGLVVMO-LJQANCHMSA-N 2 2 317.477 3.035 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@]1(C)CCC[NH2+]C1 ZINC000904337282 619912444 /nfs/dbraw/zinc/91/24/44/619912444.db2.gz SZYRYTJJGLVVMO-LJQANCHMSA-N 2 2 317.477 3.035 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000924800293 619940147 /nfs/dbraw/zinc/94/01/47/619940147.db2.gz YTJFXOSHTAQLKN-QZTJIDSGSA-N 2 2 312.461 3.102 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000924800293 619940150 /nfs/dbraw/zinc/94/01/50/619940150.db2.gz YTJFXOSHTAQLKN-QZTJIDSGSA-N 2 2 312.461 3.102 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000924800295 619940405 /nfs/dbraw/zinc/94/04/05/619940405.db2.gz YTJFXOSHTAQLKN-ROUUACIJSA-N 2 2 312.461 3.102 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000924800295 619940406 /nfs/dbraw/zinc/94/04/06/619940406.db2.gz YTJFXOSHTAQLKN-ROUUACIJSA-N 2 2 312.461 3.102 20 0 DGADLP OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924807620 620106976 /nfs/dbraw/zinc/10/69/76/620106976.db2.gz NLRZFWGXQNLRAM-MJGOQNOKSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccn1 ZINC000152382581 620503203 /nfs/dbraw/zinc/50/32/03/620503203.db2.gz SCUZUPKGHQKIIC-MRXNPFEDSA-N 2 2 324.472 3.467 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCCC2)CCOCC1)c1ccccc1 ZINC000152386193 620503561 /nfs/dbraw/zinc/50/35/61/620503561.db2.gz BYLSZIURDPZFLR-MRXNPFEDSA-N 2 2 302.462 3.419 20 0 DGADLP c1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n(C2CCC2)n1 ZINC000921516893 620895402 /nfs/dbraw/zinc/89/54/02/620895402.db2.gz GDLSLPPFBDUWDL-UHFFFAOYSA-N 2 2 321.428 3.143 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000921526459 620898572 /nfs/dbraw/zinc/89/85/72/620898572.db2.gz DPSNOUNQYDFDFJ-ZDUSSCGKSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000921526459 620898575 /nfs/dbraw/zinc/89/85/75/620898575.db2.gz DPSNOUNQYDFDFJ-ZDUSSCGKSA-N 2 2 323.278 3.331 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000921561339 620909527 /nfs/dbraw/zinc/90/95/27/620909527.db2.gz CXTXQDAKKVQPAA-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921616993 620914307 /nfs/dbraw/zinc/91/43/07/620914307.db2.gz FYFRSEPLOIHGHY-UHFFFAOYSA-N 2 2 301.478 3.315 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](SC)C2)CC1 ZINC000921713189 620939346 /nfs/dbraw/zinc/93/93/46/620939346.db2.gz MCCIZXZHCJCFII-ZBFHGGJFSA-N 2 2 314.539 3.140 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](SC)C2)CC1 ZINC000921713185 620939432 /nfs/dbraw/zinc/93/94/32/620939432.db2.gz MCCIZXZHCJCFII-GOEBONIOSA-N 2 2 314.539 3.140 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000922140575 620994594 /nfs/dbraw/zinc/99/45/94/620994594.db2.gz VQJIMBICJJHGTR-GFCCVEGCSA-N 2 2 320.234 3.128 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(SC(F)F)cc1)C[NH+](C)C ZINC000922757730 621095385 /nfs/dbraw/zinc/09/53/85/621095385.db2.gz LEQGUHVDYCCXRH-ZDUSSCGKSA-N 2 2 318.433 3.058 20 0 DGADLP CCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858126635 621155929 /nfs/dbraw/zinc/15/59/29/621155929.db2.gz DRRVCQAOAZXWTF-CQSZACIVSA-N 2 2 300.450 3.019 20 0 DGADLP CCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858126635 621155932 /nfs/dbraw/zinc/15/59/32/621155932.db2.gz DRRVCQAOAZXWTF-CQSZACIVSA-N 2 2 300.450 3.019 20 0 DGADLP COC(=O)CC1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000858355759 621180400 /nfs/dbraw/zinc/18/04/00/621180400.db2.gz WNZWYHYXLOAIIZ-UYSNPLJNSA-N 2 2 321.465 3.009 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)n1 ZINC000923536906 621192513 /nfs/dbraw/zinc/19/25/13/621192513.db2.gz ROMPCOBXWPDAOF-HXUWFJFHSA-N 2 2 324.472 3.207 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)n1 ZINC000923536906 621192516 /nfs/dbraw/zinc/19/25/16/621192516.db2.gz ROMPCOBXWPDAOF-HXUWFJFHSA-N 2 2 324.472 3.207 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc(Cl)s2)cc1 ZINC000859215211 621261071 /nfs/dbraw/zinc/26/10/71/621261071.db2.gz YQQLOSZFZSAQKC-UHFFFAOYSA-N 2 2 309.866 3.490 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)cc1 ZINC000859215211 621261075 /nfs/dbraw/zinc/26/10/75/621261075.db2.gz YQQLOSZFZSAQKC-UHFFFAOYSA-N 2 2 309.866 3.490 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000859294130 621268150 /nfs/dbraw/zinc/26/81/50/621268150.db2.gz IUMDZCHGIYEVAO-HNNXBMFYSA-N 2 2 314.408 3.133 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000859294130 621268151 /nfs/dbraw/zinc/26/81/51/621268151.db2.gz IUMDZCHGIYEVAO-HNNXBMFYSA-N 2 2 314.408 3.133 20 0 DGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753653554 621458063 /nfs/dbraw/zinc/45/80/63/621458063.db2.gz JCOQPSRJFYCAED-IRXDYDNUSA-N 2 2 320.477 3.073 20 0 DGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753653554 621458065 /nfs/dbraw/zinc/45/80/65/621458065.db2.gz JCOQPSRJFYCAED-IRXDYDNUSA-N 2 2 320.477 3.073 20 0 DGADLP COc1ccc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000753820053 621466774 /nfs/dbraw/zinc/46/67/74/621466774.db2.gz IODOZPRMSMDSJO-CQSZACIVSA-N 2 2 320.396 3.329 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000754120567 621489400 /nfs/dbraw/zinc/48/94/00/621489400.db2.gz IMHYTUHENAZKDY-DOTOQJQBSA-N 2 2 301.459 3.492 20 0 DGADLP c1cn(Cc2cccc(-c3cccc([C@H]4C[NH2+]CCO4)c3)c2)c[nH+]1 ZINC000863690113 621701247 /nfs/dbraw/zinc/70/12/47/621701247.db2.gz KTXZMUTYDXCVAC-HXUWFJFHSA-N 2 2 319.408 3.259 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000120085274 621779230 /nfs/dbraw/zinc/77/92/30/621779230.db2.gz IRJJBJHQSDLXNG-YUELXQCFSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC[N@H+]1C ZINC000120085274 621779233 /nfs/dbraw/zinc/77/92/33/621779233.db2.gz IRJJBJHQSDLXNG-YUELXQCFSA-N 2 2 304.459 3.007 20 0 DGADLP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1C(C)(C)C ZINC000865398927 621909784 /nfs/dbraw/zinc/90/97/84/621909784.db2.gz DFFWJTMSLYAPAR-UHFFFAOYSA-N 2 2 301.434 3.369 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(OC(C)(C)C)c1)Cn1cc[nH+]c1 ZINC000865433979 621920217 /nfs/dbraw/zinc/92/02/17/621920217.db2.gz RPYSSCJXYDKUPV-HNNXBMFYSA-N 2 2 301.434 3.486 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@@H+]1C ZINC000865474714 621929654 /nfs/dbraw/zinc/92/96/54/621929654.db2.gz BOJJZYXTMOLMTR-JQWIXIFHSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000865474714 621929655 /nfs/dbraw/zinc/92/96/55/621929655.db2.gz BOJJZYXTMOLMTR-JQWIXIFHSA-N 2 2 320.330 3.297 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@@H](C)C1 ZINC000865478860 621931079 /nfs/dbraw/zinc/93/10/79/621931079.db2.gz QLKLVKCEYLWBSD-NHYWBVRUSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@@H](C)C1 ZINC000865478860 621931082 /nfs/dbraw/zinc/93/10/82/621931082.db2.gz QLKLVKCEYLWBSD-NHYWBVRUSA-N 2 2 316.367 3.247 20 0 DGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2occc2Br)CC1 ZINC000789559020 625526479 /nfs/dbraw/zinc/52/64/79/625526479.db2.gz IQDJEMDAXMMIHV-UHFFFAOYSA-N 2 2 313.239 3.102 20 0 DGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2occc2Br)CC1 ZINC000789559020 625526483 /nfs/dbraw/zinc/52/64/83/625526483.db2.gz IQDJEMDAXMMIHV-UHFFFAOYSA-N 2 2 313.239 3.102 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000865652091 621971640 /nfs/dbraw/zinc/97/16/40/621971640.db2.gz OPTNWBPVUISKDS-GFCCVEGCSA-N 2 2 310.429 3.136 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3C[C@H]3C3CCOCC3)cc2)c[nH+]1 ZINC000865787338 621996245 /nfs/dbraw/zinc/99/62/45/621996245.db2.gz MIATYMSUCDKINB-HKUYNNGSSA-N 2 2 311.429 3.025 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccccn2)C(C)C)cn1 ZINC000866237521 622072899 /nfs/dbraw/zinc/07/28/99/622072899.db2.gz DNZYGECWEWRVSS-IBGZPJMESA-N 2 2 321.428 3.458 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccccn2)C(C)C)cn1 ZINC000866237523 622073063 /nfs/dbraw/zinc/07/30/63/622073063.db2.gz DNZYGECWEWRVSS-LJQANCHMSA-N 2 2 321.428 3.458 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866238492 622073604 /nfs/dbraw/zinc/07/36/04/622073604.db2.gz PCAKBYGOJYPVFD-WBVHZDCISA-N 2 2 300.450 3.304 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)[nH+]c1 ZINC000866256729 622077252 /nfs/dbraw/zinc/07/72/52/622077252.db2.gz PHLJGWPKHRZWIF-AEFFLSMTSA-N 2 2 303.450 3.211 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000762477152 622078369 /nfs/dbraw/zinc/07/83/69/622078369.db2.gz UORIUJDIKZPWRN-SOLBZPMBSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000762477152 622078371 /nfs/dbraw/zinc/07/83/71/622078371.db2.gz UORIUJDIKZPWRN-SOLBZPMBSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc2ccccc21 ZINC000866411315 622113770 /nfs/dbraw/zinc/11/37/70/622113770.db2.gz JDIIYMXBCDRTQH-RDJZCZTQSA-N 2 2 312.457 3.336 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc2ccccc21 ZINC000866411315 622113771 /nfs/dbraw/zinc/11/37/71/622113771.db2.gz JDIIYMXBCDRTQH-RDJZCZTQSA-N 2 2 312.457 3.336 20 0 DGADLP C[NH+](C)C1(C)CCC([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000866518349 622131470 /nfs/dbraw/zinc/13/14/70/622131470.db2.gz XVWBLYMJFLIERM-PQUAAJSLSA-N 2 2 319.497 3.279 20 0 DGADLP CC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000866543318 622136042 /nfs/dbraw/zinc/13/60/42/622136042.db2.gz URCJOVIMPJYYGO-UHFFFAOYSA-N 2 2 311.420 3.317 20 0 DGADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121622011 622166936 /nfs/dbraw/zinc/16/69/36/622166936.db2.gz JNOLCGNQZVTZLE-APWZRJJASA-N 2 2 321.428 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121622011 622166939 /nfs/dbraw/zinc/16/69/39/622166939.db2.gz JNOLCGNQZVTZLE-APWZRJJASA-N 2 2 321.428 3.287 20 0 DGADLP FC(F)(F)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000764406407 622191931 /nfs/dbraw/zinc/19/19/31/622191931.db2.gz IGSLPYLNGHFSNS-GHMZBOCLSA-N 2 2 318.305 3.145 20 0 DGADLP FC(F)(F)[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000764406407 622191932 /nfs/dbraw/zinc/19/19/32/622191932.db2.gz IGSLPYLNGHFSNS-GHMZBOCLSA-N 2 2 318.305 3.145 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccnc1 ZINC000764615530 622207810 /nfs/dbraw/zinc/20/78/10/622207810.db2.gz JYZYDAKSJBGJEF-INIZCTEOSA-N 2 2 324.472 3.467 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000764950486 622235273 /nfs/dbraw/zinc/23/52/73/622235273.db2.gz QYGBRQIUVXSEIP-IRXDYDNUSA-N 2 2 304.478 3.338 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000764950486 622235274 /nfs/dbraw/zinc/23/52/74/622235274.db2.gz QYGBRQIUVXSEIP-IRXDYDNUSA-N 2 2 304.478 3.338 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000765249302 622253898 /nfs/dbraw/zinc/25/38/98/622253898.db2.gz GIZOVSLBFCMQTC-WMZOPIPTSA-N 2 2 312.461 3.166 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000765255175 622254381 /nfs/dbraw/zinc/25/43/81/622254381.db2.gz PTVUSUHZXDZMRL-HOCLYGCPSA-N 2 2 303.454 3.426 20 0 DGADLP Cc1occc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765397007 622263117 /nfs/dbraw/zinc/26/31/17/622263117.db2.gz PFPAYAVDIDZTRL-UHFFFAOYSA-N 2 2 313.445 3.413 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000766515887 622335939 /nfs/dbraw/zinc/33/59/39/622335939.db2.gz TUIZZRYETGMUMH-MRXNPFEDSA-N 2 2 321.428 3.420 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000872019780 622755331 /nfs/dbraw/zinc/75/53/31/622755331.db2.gz ABJLVUYZTKBTDI-MOPGFXCFSA-N 2 2 313.445 3.226 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)ccc1F ZINC000872023298 622757417 /nfs/dbraw/zinc/75/74/17/622757417.db2.gz FFJFEIBRPFREJU-WBMJQRKESA-N 2 2 305.397 3.493 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC000872031863 622762614 /nfs/dbraw/zinc/76/26/14/622762614.db2.gz NIBFLYPSROMKBQ-CVEARBPZSA-N 2 2 305.466 3.457 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087370 622798376 /nfs/dbraw/zinc/79/83/76/622798376.db2.gz IPJXMRRTDGNGRX-ZFWWWQNUSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087370 622798378 /nfs/dbraw/zinc/79/83/78/622798378.db2.gz IPJXMRRTDGNGRX-ZFWWWQNUSA-N 2 2 306.425 3.304 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000872132241 622824656 /nfs/dbraw/zinc/82/46/56/622824656.db2.gz DCOKPPLPWPVFIQ-QILLFSRXSA-N 2 2 316.493 3.479 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150647 622834708 /nfs/dbraw/zinc/83/47/08/622834708.db2.gz YLPBCAUIRYXKJZ-KGLIPLIRSA-N 2 2 315.383 3.082 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150647 622834713 /nfs/dbraw/zinc/83/47/13/622834713.db2.gz YLPBCAUIRYXKJZ-KGLIPLIRSA-N 2 2 315.383 3.082 20 0 DGADLP c1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3C3CC3)CC2)cs1 ZINC000872440869 622915826 /nfs/dbraw/zinc/91/58/26/622915826.db2.gz AKBDEHOLZZKBHM-UHFFFAOYSA-N 2 2 314.458 3.128 20 0 DGADLP c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3C3CC3)CC2)cs1 ZINC000872440869 622915830 /nfs/dbraw/zinc/91/58/30/622915830.db2.gz AKBDEHOLZZKBHM-UHFFFAOYSA-N 2 2 314.458 3.128 20 0 DGADLP Cc1nc(N2CCC(C)([NH+]3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000872665981 622949934 /nfs/dbraw/zinc/94/99/34/622949934.db2.gz VAMHXZRBNHKFOA-UHFFFAOYSA-N 2 2 302.466 3.247 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089475 622982214 /nfs/dbraw/zinc/98/22/14/622982214.db2.gz QYTBUWJNXHZXMD-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089475 622982219 /nfs/dbraw/zinc/98/22/19/622982219.db2.gz QYTBUWJNXHZXMD-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP FC[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(F)cc1 ZINC000873223155 623080678 /nfs/dbraw/zinc/08/06/78/623080678.db2.gz KYMLDMLSGQJUNT-HNNXBMFYSA-N 2 2 308.397 3.333 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCSC2)[C@H]2CCC[NH2+]2)cc1 ZINC000873234116 623085866 /nfs/dbraw/zinc/08/58/66/623085866.db2.gz AIFNRHDEEDUHQQ-OLMNPRSZSA-N 2 2 320.502 3.221 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000873258601 623094682 /nfs/dbraw/zinc/09/46/82/623094682.db2.gz SPHDWDBIINRTMG-XYVMCAHJSA-N 3 2 310.445 3.054 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000775027799 623218127 /nfs/dbraw/zinc/21/81/27/623218127.db2.gz JFMKBCNYDWZROV-QGZVFWFLSA-N 2 2 313.426 3.065 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000775371113 623261462 /nfs/dbraw/zinc/26/14/62/623261462.db2.gz UBGXJLKHUMLBCJ-SUJAAXHWSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000775371113 623261466 /nfs/dbraw/zinc/26/14/66/623261466.db2.gz UBGXJLKHUMLBCJ-SUJAAXHWSA-N 2 2 314.564 3.076 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775390841 623265718 /nfs/dbraw/zinc/26/57/18/623265718.db2.gz QFFJRRKCLUWHRE-KLHDSHLOSA-N 2 2 314.564 3.220 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775390841 623265724 /nfs/dbraw/zinc/26/57/24/623265724.db2.gz QFFJRRKCLUWHRE-KLHDSHLOSA-N 2 2 314.564 3.220 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775390839 623266042 /nfs/dbraw/zinc/26/60/42/623266042.db2.gz QFFJRRKCLUWHRE-FPCVCCKLSA-N 2 2 314.564 3.220 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775390839 623266047 /nfs/dbraw/zinc/26/60/47/623266047.db2.gz QFFJRRKCLUWHRE-FPCVCCKLSA-N 2 2 314.564 3.220 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@@H]1OC ZINC000776156950 623384356 /nfs/dbraw/zinc/38/43/56/623384356.db2.gz OMLWXYHNNJJVSN-PMPSAXMXSA-N 2 2 307.482 3.481 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@H]1OC ZINC000776156942 623384461 /nfs/dbraw/zinc/38/44/61/623384461.db2.gz OMLWXYHNNJJVSN-BZUAXINKSA-N 2 2 307.482 3.481 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)C1CCC1 ZINC000777096601 623496189 /nfs/dbraw/zinc/49/61/89/623496189.db2.gz PPIBNFPQWVLJKD-HNNXBMFYSA-N 2 2 317.477 3.438 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([NH+](C)C)cc2)[C@@H](C)C1 ZINC000777602587 623547197 /nfs/dbraw/zinc/54/71/97/623547197.db2.gz SJSSHFMVURMAMK-QFBILLFUSA-N 2 2 319.493 3.302 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2ccc([NH+](C)C)cc2)[C@@H](C)C1 ZINC000777602587 623547198 /nfs/dbraw/zinc/54/71/98/623547198.db2.gz SJSSHFMVURMAMK-QFBILLFUSA-N 2 2 319.493 3.302 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(F)nc1)c1ccccc1 ZINC000778172415 623619528 /nfs/dbraw/zinc/61/95/28/623619528.db2.gz JURBXYBIDPHDJY-INIZCTEOSA-N 2 2 310.376 3.028 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)cn2c1 ZINC000790530135 625665805 /nfs/dbraw/zinc/66/58/05/625665805.db2.gz IATFBEVYPVSWRO-MRXNPFEDSA-N 2 2 311.433 3.044 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620974 623662091 /nfs/dbraw/zinc/66/20/91/623662091.db2.gz UPYPTHAZOFRLFY-CQSZACIVSA-N 2 2 303.381 3.327 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620974 623662094 /nfs/dbraw/zinc/66/20/94/623662094.db2.gz UPYPTHAZOFRLFY-CQSZACIVSA-N 2 2 303.381 3.327 20 0 DGADLP C[N@@H+](Cc1c(Cl)cncc1Cl)CC1CC[NH+](C)CC1 ZINC000876690675 623683117 /nfs/dbraw/zinc/68/31/17/623683117.db2.gz PDSDYSSYAGIVNN-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP C[N@H+](Cc1c(Cl)cncc1Cl)CC1CC[NH+](C)CC1 ZINC000876690675 623683119 /nfs/dbraw/zinc/68/31/19/623683119.db2.gz PDSDYSSYAGIVNN-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)c2)[nH+]c1C ZINC000876735609 623692125 /nfs/dbraw/zinc/69/21/25/623692125.db2.gz GSSBRNISDDMTDU-CABCVRRESA-N 2 2 312.417 3.005 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810957 623712557 /nfs/dbraw/zinc/71/25/57/623712557.db2.gz AOUGZWMATTUTJH-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810957 623712565 /nfs/dbraw/zinc/71/25/65/623712565.db2.gz AOUGZWMATTUTJH-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810957 623712570 /nfs/dbraw/zinc/71/25/70/623712570.db2.gz AOUGZWMATTUTJH-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810957 623712577 /nfs/dbraw/zinc/71/25/77/623712577.db2.gz AOUGZWMATTUTJH-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876928931 623746386 /nfs/dbraw/zinc/74/63/86/623746386.db2.gz DOQDDNGRMHAYBF-SNVBAGLBSA-N 2 2 306.822 3.325 20 0 DGADLP COc1c(C)cnc(C[NH2+]CCCCNc2cccc[nH+]2)c1C ZINC000877006362 623764219 /nfs/dbraw/zinc/76/42/19/623764219.db2.gz IXWCRVZMYHBURI-UHFFFAOYSA-N 2 2 314.433 3.084 20 0 DGADLP CSC(C)(C)CCNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000877117178 623795050 /nfs/dbraw/zinc/79/50/50/623795050.db2.gz MLMCYGMWHZELNT-HNNXBMFYSA-N 2 2 322.522 3.166 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000877479523 623902462 /nfs/dbraw/zinc/90/24/62/623902462.db2.gz WSXPNYGMCNHEEM-HTZUNMPGSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000877479523 623902464 /nfs/dbraw/zinc/90/24/64/623902464.db2.gz WSXPNYGMCNHEEM-HTZUNMPGSA-N 2 2 316.426 3.316 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877528852 623926222 /nfs/dbraw/zinc/92/62/22/623926222.db2.gz MKWCVAHOZQAYJO-LLVKDONJSA-N 2 2 316.792 3.204 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877528852 623926225 /nfs/dbraw/zinc/92/62/25/623926225.db2.gz MKWCVAHOZQAYJO-LLVKDONJSA-N 2 2 316.792 3.204 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743547 624017528 /nfs/dbraw/zinc/01/75/28/624017528.db2.gz LAIXQOPUGHOKNL-RDJZCZTQSA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743547 624017529 /nfs/dbraw/zinc/01/75/29/624017529.db2.gz LAIXQOPUGHOKNL-RDJZCZTQSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743547 624017534 /nfs/dbraw/zinc/01/75/34/624017534.db2.gz LAIXQOPUGHOKNL-RDJZCZTQSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743547 624017535 /nfs/dbraw/zinc/01/75/35/624017535.db2.gz LAIXQOPUGHOKNL-RDJZCZTQSA-N 2 2 313.470 3.336 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccnn1C ZINC000877761315 624025799 /nfs/dbraw/zinc/02/57/99/624025799.db2.gz FGMPQYYCZTVZSW-KNBMTAEXSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccnn1C ZINC000877761315 624025801 /nfs/dbraw/zinc/02/58/01/624025801.db2.gz FGMPQYYCZTVZSW-KNBMTAEXSA-N 2 2 324.472 3.439 20 0 DGADLP CC1([NH+]2CCCCC2)CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000877794715 624036363 /nfs/dbraw/zinc/03/63/63/624036363.db2.gz RAQPYMQEOSQTKE-UHFFFAOYSA-N 2 2 312.461 3.175 20 0 DGADLP Cc1nc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393915 624064992 /nfs/dbraw/zinc/06/49/92/624064992.db2.gz JAYXMHYCIMCJCO-ZBFHGGJFSA-N 2 2 302.466 3.467 20 0 DGADLP Cc1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393915 624064996 /nfs/dbraw/zinc/06/49/96/624064996.db2.gz JAYXMHYCIMCJCO-ZBFHGGJFSA-N 2 2 302.466 3.467 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@H]3CCC4(CCC4)O3)CC2)[nH+]c1 ZINC000878321696 624244690 /nfs/dbraw/zinc/24/46/90/624244690.db2.gz SYWALWWEWXLEMD-MRXNPFEDSA-N 2 2 301.434 3.060 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397764 624266196 /nfs/dbraw/zinc/26/61/96/624266196.db2.gz SMBYTXRKXCZWSZ-OYSPMZIOSA-N 2 2 311.429 3.481 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3CCC4(CCC4)O3)CC2)c[nH+]1 ZINC000878402043 624268184 /nfs/dbraw/zinc/26/81/84/624268184.db2.gz BPWGOPIOWHSHTN-SFHVURJKSA-N 2 2 317.477 3.477 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000782759328 624281035 /nfs/dbraw/zinc/28/10/35/624281035.db2.gz HSQSNLWBIUNKOB-DNVCBOLYSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000782759328 624281037 /nfs/dbraw/zinc/28/10/37/624281037.db2.gz HSQSNLWBIUNKOB-DNVCBOLYSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878523072 624297925 /nfs/dbraw/zinc/29/79/25/624297925.db2.gz WNEYWWUZBINCCS-KRWDZBQOSA-N 2 2 316.445 3.335 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000879062820 624418295 /nfs/dbraw/zinc/41/82/95/624418295.db2.gz XESNVBCQYSTOKI-UHFFFAOYSA-N 2 2 306.494 3.144 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CCCOC(F)(F)F)CC1 ZINC000879209938 624452313 /nfs/dbraw/zinc/45/23/13/624452313.db2.gz PQNNJMCGZRHHBF-UHFFFAOYSA-N 2 2 308.388 3.253 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580286 624598258 /nfs/dbraw/zinc/59/82/58/624598258.db2.gz SGGROWDIOSESPB-DOMZBBRYSA-N 2 2 312.429 3.083 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580286 624598261 /nfs/dbraw/zinc/59/82/61/624598261.db2.gz SGGROWDIOSESPB-DOMZBBRYSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580286 624598263 /nfs/dbraw/zinc/59/82/63/624598263.db2.gz SGGROWDIOSESPB-DOMZBBRYSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580286 624598267 /nfs/dbraw/zinc/59/82/67/624598267.db2.gz SGGROWDIOSESPB-DOMZBBRYSA-N 2 2 312.429 3.083 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000879733071 624656154 /nfs/dbraw/zinc/65/61/54/624656154.db2.gz YMBYDBNGXSSPHP-MRXNPFEDSA-N 2 2 313.445 3.241 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000879733071 624656156 /nfs/dbraw/zinc/65/61/56/624656156.db2.gz YMBYDBNGXSSPHP-MRXNPFEDSA-N 2 2 313.445 3.241 20 0 DGADLP Cc1nc(F)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000785436069 624666275 /nfs/dbraw/zinc/66/62/75/624666275.db2.gz WLXMFXIGSALKOA-UHFFFAOYSA-N 2 2 314.339 3.144 20 0 DGADLP Clc1csc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000785466438 624671017 /nfs/dbraw/zinc/67/10/17/624671017.db2.gz NOOKVWGYDRWXPZ-CQSZACIVSA-N 2 2 314.882 3.135 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000879947125 624728386 /nfs/dbraw/zinc/72/83/86/624728386.db2.gz ASCWECMZXGZVQA-GOSISDBHSA-N 2 2 320.452 3.200 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140220 624803845 /nfs/dbraw/zinc/80/38/45/624803845.db2.gz GGLZODGANVQWTF-HAGHYFMRSA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140220 624803853 /nfs/dbraw/zinc/80/38/53/624803853.db2.gz GGLZODGANVQWTF-HAGHYFMRSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140220 624803860 /nfs/dbraw/zinc/80/38/60/624803860.db2.gz GGLZODGANVQWTF-HAGHYFMRSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140220 624803867 /nfs/dbraw/zinc/80/38/67/624803867.db2.gz GGLZODGANVQWTF-HAGHYFMRSA-N 2 2 314.473 3.465 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141371 624804298 /nfs/dbraw/zinc/80/42/98/624804298.db2.gz ICMZSZIVQDQWPT-GBESFXJTSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141371 624804300 /nfs/dbraw/zinc/80/43/00/624804300.db2.gz ICMZSZIVQDQWPT-GBESFXJTSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000880141371 624804304 /nfs/dbraw/zinc/80/43/04/624804304.db2.gz ICMZSZIVQDQWPT-GBESFXJTSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C)c1ccccc1 ZINC000880141371 624804308 /nfs/dbraw/zinc/80/43/08/624804308.db2.gz ICMZSZIVQDQWPT-GBESFXJTSA-N 2 2 302.462 3.321 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208457 624842508 /nfs/dbraw/zinc/84/25/08/624842508.db2.gz SDMZVCLHTKIHSM-RBUKOAKNSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208457 624842514 /nfs/dbraw/zinc/84/25/14/624842514.db2.gz SDMZVCLHTKIHSM-RBUKOAKNSA-N 2 2 302.462 3.371 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209004 624842954 /nfs/dbraw/zinc/84/29/54/624842954.db2.gz XQRYOMUPBYJGEG-AEFFLSMTSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209004 624842957 /nfs/dbraw/zinc/84/29/57/624842957.db2.gz XQRYOMUPBYJGEG-AEFFLSMTSA-N 2 2 302.462 3.289 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000880255517 624871167 /nfs/dbraw/zinc/87/11/67/624871167.db2.gz NLHZVUCUEHQNJN-GOSISDBHSA-N 2 2 324.509 3.260 20 0 DGADLP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc(Cl)n1 ZINC000880258939 624874710 /nfs/dbraw/zinc/87/47/10/624874710.db2.gz KZYLQEADLHSXHL-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc(Cl)n1 ZINC000880258939 624874712 /nfs/dbraw/zinc/87/47/12/624874712.db2.gz KZYLQEADLHSXHL-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP C[C@H]1C[N@H+](Cc2nc3ccccc3s2)CCN1c1cc[nH+]cc1 ZINC000880259419 624875066 /nfs/dbraw/zinc/87/50/66/624875066.db2.gz SHPMBLLHTHPUCR-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CCN1c1cc[nH+]cc1 ZINC000880259419 624875071 /nfs/dbraw/zinc/87/50/71/624875071.db2.gz SHPMBLLHTHPUCR-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP COc1cccc([C@@H]2CC[N@H+](CCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880286082 624891414 /nfs/dbraw/zinc/89/14/14/624891414.db2.gz RRTVJHHETABVPS-SFHVURJKSA-N 2 2 313.445 3.239 20 0 DGADLP COc1cccc([C@@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880286082 624891415 /nfs/dbraw/zinc/89/14/15/624891415.db2.gz RRTVJHHETABVPS-SFHVURJKSA-N 2 2 313.445 3.239 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCOC1 ZINC000880469303 624963342 /nfs/dbraw/zinc/96/33/42/624963342.db2.gz JOZFVLIBWUWLBY-IEBWSBKVSA-N 2 2 313.445 3.476 20 0 DGADLP CCOc1ccccc1OCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472927 624964407 /nfs/dbraw/zinc/96/44/07/624964407.db2.gz JDJTUZQZPLNGHF-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000880568613 624979305 /nfs/dbraw/zinc/97/93/05/624979305.db2.gz BJKYTRLMHWAYMS-MOPGFXCFSA-N 2 2 313.445 3.419 20 0 DGADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000880568616 624979488 /nfs/dbraw/zinc/97/94/88/624979488.db2.gz BJKYTRLMHWAYMS-RTBURBONSA-N 2 2 313.445 3.419 20 0 DGADLP COc1ccc(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880571658 624980162 /nfs/dbraw/zinc/98/01/62/624980162.db2.gz SIFVQPNZZLYFMQ-FQEVSTJZSA-N 2 2 321.424 3.465 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571452 624980201 /nfs/dbraw/zinc/98/02/01/624980201.db2.gz PSSCPCBPKQUFIE-INIZCTEOSA-N 2 2 312.442 3.222 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccsc2S1 ZINC000130549506 625868404 /nfs/dbraw/zinc/86/84/04/625868404.db2.gz OHGHWVIBSJVNOR-XFMPKHEZSA-N 2 2 324.515 3.126 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccsc2S1 ZINC000130549506 625868411 /nfs/dbraw/zinc/86/84/11/625868411.db2.gz OHGHWVIBSJVNOR-XFMPKHEZSA-N 2 2 324.515 3.126 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC(C)([NH+]3CCC3)CC2)[nH+]1 ZINC000882962129 625878360 /nfs/dbraw/zinc/87/83/60/625878360.db2.gz IBTALNGHSTXPGH-UHFFFAOYSA-N 2 2 313.367 3.473 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000883084782 625921373 /nfs/dbraw/zinc/92/13/73/625921373.db2.gz BONCBECNRPIELV-LSDHHAIUSA-N 2 2 304.482 3.276 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000883084782 625921378 /nfs/dbraw/zinc/92/13/78/625921378.db2.gz BONCBECNRPIELV-LSDHHAIUSA-N 2 2 304.482 3.276 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000883084779 625921849 /nfs/dbraw/zinc/92/18/49/625921849.db2.gz BONCBECNRPIELV-CABCVRRESA-N 2 2 304.482 3.276 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000883084779 625921854 /nfs/dbraw/zinc/92/18/54/625921854.db2.gz BONCBECNRPIELV-CABCVRRESA-N 2 2 304.482 3.276 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797064761 626109835 /nfs/dbraw/zinc/10/98/35/626109835.db2.gz JMZHOODFZRQLBU-KSSFIOAISA-N 2 2 319.518 3.063 20 0 DGADLP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000800896209 626383447 /nfs/dbraw/zinc/38/34/47/626383447.db2.gz COMGBCWRBFWUII-FQEVSTJZSA-N 2 2 321.424 3.312 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800971908 626387172 /nfs/dbraw/zinc/38/71/72/626387172.db2.gz YHCNRCAGJZCFRF-CWFSZBLJSA-N 2 2 313.489 3.500 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCOC1 ZINC000883353520 626657192 /nfs/dbraw/zinc/65/71/92/626657192.db2.gz WMYCOKKUJCGVSL-XJKSGUPXSA-N 2 2 305.447 3.229 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000883387756 626669262 /nfs/dbraw/zinc/66/92/62/626669262.db2.gz DTYFMEDBVYQMOF-YJBOKZPZSA-N 2 2 322.412 3.379 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCC23CCOCC3)c2ccccc2)c[nH+]1 ZINC000883388272 626669344 /nfs/dbraw/zinc/66/93/44/626669344.db2.gz QSNRCPQXKHKQDX-QZTJIDSGSA-N 2 2 311.429 3.173 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883398493 626673065 /nfs/dbraw/zinc/67/30/65/626673065.db2.gz OBBLTMBRQUNVAN-SFHVURJKSA-N 2 2 309.417 3.192 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883450779 626684403 /nfs/dbraw/zinc/68/44/03/626684403.db2.gz XPCGSLPIULLKME-GUDVDZBRSA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883450779 626684405 /nfs/dbraw/zinc/68/44/05/626684405.db2.gz XPCGSLPIULLKME-GUDVDZBRSA-N 2 2 302.462 3.371 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)C2CCC(F)(F)CC2)s1 ZINC000809782336 626952463 /nfs/dbraw/zinc/95/24/63/626952463.db2.gz PKCVODFBLYYJIK-UHFFFAOYSA-N 2 2 303.422 3.214 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)C2CCC(F)(F)CC2)s1 ZINC000809782336 626952464 /nfs/dbraw/zinc/95/24/64/626952464.db2.gz PKCVODFBLYYJIK-UHFFFAOYSA-N 2 2 303.422 3.214 20 0 DGADLP COc1cc(C)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1OC ZINC000885952063 627067810 /nfs/dbraw/zinc/06/78/10/627067810.db2.gz VNKODPMMICWIKL-UHFFFAOYSA-N 2 2 318.461 3.119 20 0 DGADLP Cc1n[nH]c(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000886005979 627081796 /nfs/dbraw/zinc/08/17/96/627081796.db2.gz LXAGQLTXJLCXPI-AWEZNQCLSA-N 2 2 300.450 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000886005979 627081797 /nfs/dbraw/zinc/08/17/97/627081797.db2.gz LXAGQLTXJLCXPI-AWEZNQCLSA-N 2 2 300.450 3.027 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000886315559 627135528 /nfs/dbraw/zinc/13/55/28/627135528.db2.gz RXPXDQSKKCKLLR-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000886315559 627135529 /nfs/dbraw/zinc/13/55/29/627135529.db2.gz RXPXDQSKKCKLLR-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000886315559 627135531 /nfs/dbraw/zinc/13/55/31/627135531.db2.gz RXPXDQSKKCKLLR-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000886315559 627135532 /nfs/dbraw/zinc/13/55/32/627135532.db2.gz RXPXDQSKKCKLLR-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000886498757 627153230 /nfs/dbraw/zinc/15/32/30/627153230.db2.gz OSWPCLUDUJJANL-LJQANCHMSA-N 2 2 323.444 3.152 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625664 627176169 /nfs/dbraw/zinc/17/61/69/627176169.db2.gz WVOIJPZFWZSBCL-WNHJNPCNSA-N 2 2 324.472 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625664 627176171 /nfs/dbraw/zinc/17/61/71/627176171.db2.gz WVOIJPZFWZSBCL-WNHJNPCNSA-N 2 2 324.472 3.124 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625663 627176194 /nfs/dbraw/zinc/17/61/94/627176194.db2.gz WVOIJPZFWZSBCL-LULLPPNCSA-N 2 2 324.472 3.124 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625663 627176197 /nfs/dbraw/zinc/17/61/97/627176197.db2.gz WVOIJPZFWZSBCL-LULLPPNCSA-N 2 2 324.472 3.124 20 0 DGADLP Cc1[nH]c(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)[nH+]c1C ZINC000886662366 627183733 /nfs/dbraw/zinc/18/37/33/627183733.db2.gz CGFCPUVVTAYOGB-UHFFFAOYSA-N 3 2 304.482 3.082 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC000886714323 627196460 /nfs/dbraw/zinc/19/64/60/627196460.db2.gz IDDKHUSUVZKLHM-UHFFFAOYSA-N 2 2 316.445 3.062 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000886717470 627196914 /nfs/dbraw/zinc/19/69/14/627196914.db2.gz ARQZBNMLIACWJU-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CC(C)C1([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000815151845 627638289 /nfs/dbraw/zinc/63/82/89/627638289.db2.gz VFBNJFLCBPTIGS-UHFFFAOYSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cn2c([nH+]1)CCCC2 ZINC000924584412 627652671 /nfs/dbraw/zinc/65/26/71/627652671.db2.gz JOAVTIXJOVHSSA-QAPCUYQASA-N 2 2 312.461 3.173 20 0 DGADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924624569 627659590 /nfs/dbraw/zinc/65/95/90/627659590.db2.gz LXZCGPRKWBACLP-MOPGFXCFSA-N 2 2 313.445 3.082 20 0 DGADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](CC(C)C)[NH+](C)C)n(C)n1 ZINC000924628846 627659795 /nfs/dbraw/zinc/65/97/95/627659795.db2.gz LWWQHZUVBATEFL-WDSOQIARSA-N 2 2 320.525 3.006 20 0 DGADLP CCOCc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924639917 627661423 /nfs/dbraw/zinc/66/14/23/627661423.db2.gz UBSGMQSZZZJWQC-RBUKOAKNSA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924639917 627661426 /nfs/dbraw/zinc/66/14/26/627661426.db2.gz UBSGMQSZZZJWQC-RBUKOAKNSA-N 2 2 302.462 3.330 20 0 DGADLP c1c(CC[NH2+][C@H](c2ccccn2)C2CCC2)[nH+]c2n1CCCC2 ZINC000924646153 627662292 /nfs/dbraw/zinc/66/22/92/627662292.db2.gz QSWZWNZYTZGNLD-IBGZPJMESA-N 2 2 310.445 3.288 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000924684342 627666416 /nfs/dbraw/zinc/66/64/16/627666416.db2.gz DZRMMGRLDHCXGV-CEXWTWQISA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000924684342 627666418 /nfs/dbraw/zinc/66/64/18/627666418.db2.gz DZRMMGRLDHCXGV-CEXWTWQISA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000924684342 627666421 /nfs/dbraw/zinc/66/64/21/627666421.db2.gz DZRMMGRLDHCXGV-CEXWTWQISA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000924684342 627666424 /nfs/dbraw/zinc/66/64/24/627666424.db2.gz DZRMMGRLDHCXGV-CEXWTWQISA-N 3 2 307.526 3.105 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000924751559 627676733 /nfs/dbraw/zinc/67/67/33/627676733.db2.gz KTHOWTHVAFKMSJ-CZUORRHYSA-N 2 2 308.853 3.233 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000924751559 627676735 /nfs/dbraw/zinc/67/67/35/627676735.db2.gz KTHOWTHVAFKMSJ-CZUORRHYSA-N 2 2 308.853 3.233 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCOC34CCCCC4)cc2)c[nH+]1 ZINC000924806235 627681953 /nfs/dbraw/zinc/68/19/53/627681953.db2.gz AUBSGTCJARUEPB-GOSISDBHSA-N 2 2 311.429 3.454 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)[nH+]c1 ZINC000924928517 627695006 /nfs/dbraw/zinc/69/50/06/627695006.db2.gz XKXYPQMQHRONJQ-FUHWJXTLSA-N 2 2 303.450 3.069 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925011458 627701145 /nfs/dbraw/zinc/70/11/45/627701145.db2.gz QGXGHWCLAYFQLA-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011458 627701148 /nfs/dbraw/zinc/70/11/48/627701148.db2.gz QGXGHWCLAYFQLA-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1Cc1ccccc1 ZINC000925172062 627715727 /nfs/dbraw/zinc/71/57/27/627715727.db2.gz QZMVEYGYGAVVOS-NZSAHSFTSA-N 2 2 324.472 3.013 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc21 ZINC000925184378 627716436 /nfs/dbraw/zinc/71/64/36/627716436.db2.gz BUBAXSAMAACHQE-HZPDHXFCSA-N 2 2 313.445 3.285 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)nc21 ZINC000925184378 627716438 /nfs/dbraw/zinc/71/64/38/627716438.db2.gz BUBAXSAMAACHQE-HZPDHXFCSA-N 2 2 313.445 3.285 20 0 DGADLP CSC1CC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000925181583 627716502 /nfs/dbraw/zinc/71/65/02/627716502.db2.gz VXEGUOJUGNQDPF-UYSNPLJNSA-N 2 2 301.459 3.188 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc2c1OCO2 ZINC000925221380 627720541 /nfs/dbraw/zinc/72/05/41/627720541.db2.gz MMLLEOILBLZCPH-CQSZACIVSA-N 2 2 316.445 3.473 20 0 DGADLP CCCOCc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925479153 627741234 /nfs/dbraw/zinc/74/12/34/627741234.db2.gz XUQORSJCCSWLBM-SFHVURJKSA-N 2 2 302.462 3.378 20 0 DGADLP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925496392 627742395 /nfs/dbraw/zinc/74/23/95/627742395.db2.gz YQWDWVKNUQLZGG-HKUYNNGSSA-N 3 2 315.505 3.147 20 0 DGADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925496393 627742599 /nfs/dbraw/zinc/74/25/99/627742599.db2.gz YQWDWVKNUQLZGG-IEBWSBKVSA-N 3 2 315.505 3.147 20 0 DGADLP Cc1nc2ccccc2n1CCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925509085 627744134 /nfs/dbraw/zinc/74/41/34/627744134.db2.gz LDHUOKHDSZHQEL-YWZLYKJASA-N 2 2 322.456 3.413 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1 ZINC000925511448 627745063 /nfs/dbraw/zinc/74/50/63/627745063.db2.gz NGADRJMGFLEWSH-BEFAXECRSA-N 2 2 308.429 3.105 20 0 DGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000925515557 627745367 /nfs/dbraw/zinc/74/53/67/627745367.db2.gz UKIGCVKLBCCELU-RLFYNMQTSA-N 2 2 304.478 3.293 20 0 DGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000925515557 627745370 /nfs/dbraw/zinc/74/53/70/627745370.db2.gz UKIGCVKLBCCELU-RLFYNMQTSA-N 2 2 304.478 3.293 20 0 DGADLP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc(C[NH+]2CCCC2)c1 ZINC000925526527 627747720 /nfs/dbraw/zinc/74/77/20/627747720.db2.gz JVOISJKVUGVVCP-IBGZPJMESA-N 3 2 313.489 3.047 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)nc2c1 ZINC000925527571 627747832 /nfs/dbraw/zinc/74/78/32/627747832.db2.gz OKXOLBNYBSJKOR-JKSUJKDBSA-N 2 2 312.461 3.129 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)[nH]c2c1 ZINC000925527571 627747833 /nfs/dbraw/zinc/74/78/33/627747833.db2.gz OKXOLBNYBSJKOR-JKSUJKDBSA-N 2 2 312.461 3.129 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000925548481 627751838 /nfs/dbraw/zinc/75/18/38/627751838.db2.gz CFRVSLJJDHTKDL-OXQOHEQNSA-N 2 2 320.440 3.093 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000925548479 627751854 /nfs/dbraw/zinc/75/18/54/627751854.db2.gz CFRVSLJJDHTKDL-JXFKEZNVSA-N 2 2 320.440 3.093 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925569550 627756368 /nfs/dbraw/zinc/75/63/68/627756368.db2.gz SWGNAGOEVQQOTB-CABCVRRESA-N 3 2 316.424 3.007 20 0 DGADLP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccc2ccccc2c1 ZINC000925569198 627756445 /nfs/dbraw/zinc/75/64/45/627756445.db2.gz ZLSVQYMLOVKZRU-MOPGFXCFSA-N 2 2 310.441 3.138 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c2ccccn2)c1 ZINC000925625448 627764540 /nfs/dbraw/zinc/76/45/40/627764540.db2.gz FLAAOQBRWMOEQZ-QYZOEREBSA-N 2 2 307.441 3.339 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925637929 627767092 /nfs/dbraw/zinc/76/70/92/627767092.db2.gz VHXKFNNEUXVIJM-PIGZYNQJSA-N 2 2 308.347 3.325 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccccc1 ZINC000925639701 627767604 /nfs/dbraw/zinc/76/76/04/627767604.db2.gz MRVAIJLBHXVSAW-KKXDTOCCSA-N 2 2 318.848 3.226 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000925640842 627767778 /nfs/dbraw/zinc/76/77/78/627767778.db2.gz VCUSMMVCXZBHJD-CQSZACIVSA-N 2 2 322.250 3.161 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925648305 627769627 /nfs/dbraw/zinc/76/96/27/627769627.db2.gz SSBFFKBKYNUUBV-XOHBWPTMSA-N 2 2 320.864 3.002 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c2ccccn2)cc1 ZINC000925662953 627772720 /nfs/dbraw/zinc/77/27/20/627772720.db2.gz MOCNGYURDZRODA-QYZOEREBSA-N 2 2 307.441 3.339 20 0 DGADLP COCCCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925664596 627773051 /nfs/dbraw/zinc/77/30/51/627773051.db2.gz ZLJPPYKGLSZGOY-ROUUACIJSA-N 2 2 302.462 3.419 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925689189 627777679 /nfs/dbraw/zinc/77/76/79/627777679.db2.gz BOMUGAPZNQYMAA-CVEARBPZSA-N 2 2 310.482 3.105 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925689189 627777682 /nfs/dbraw/zinc/77/76/82/627777682.db2.gz BOMUGAPZNQYMAA-CVEARBPZSA-N 2 2 310.482 3.105 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CCCC2 ZINC000925770881 627791783 /nfs/dbraw/zinc/79/17/83/627791783.db2.gz XHKSENMUAWYGDA-RRQGHBQHSA-N 2 2 318.461 3.201 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2n1 ZINC000925780351 627794778 /nfs/dbraw/zinc/79/47/78/627794778.db2.gz DXPSCBRMZZMIJA-OCCSQVGLSA-N 2 2 305.372 3.130 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925795880 627796952 /nfs/dbraw/zinc/79/69/52/627796952.db2.gz QRUKZXMZABOHTB-XJKSGUPXSA-N 2 2 308.853 3.149 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ncccc1Cl ZINC000925814758 627799328 /nfs/dbraw/zinc/79/93/28/627799328.db2.gz PNQDHWFKYZTLSJ-OCCSQVGLSA-N 2 2 304.825 3.377 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1 ZINC000925831766 627801610 /nfs/dbraw/zinc/80/16/10/627801610.db2.gz URPVMGWERBWBBL-MXAVVETBSA-N 2 2 316.367 3.165 20 0 DGADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1nc2c(s1)CCCC2 ZINC000925839887 627803961 /nfs/dbraw/zinc/80/39/61/627803961.db2.gz FRELEBHNADHMKM-SRCQZFHVSA-N 2 2 305.491 3.205 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@H]1CCCC[NH2+]1 ZINC000925876953 627810481 /nfs/dbraw/zinc/81/04/81/627810481.db2.gz KAXQFCVGWNZPAR-HZPDHXFCSA-N 2 2 306.450 3.023 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000925879590 627811083 /nfs/dbraw/zinc/81/10/83/627811083.db2.gz ACWDBCKCKNFKBE-BEVDRBHNSA-N 2 2 310.441 3.369 20 0 DGADLP Cn1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2ccccc2)n1 ZINC000926130372 627848574 /nfs/dbraw/zinc/84/85/74/627848574.db2.gz OPTUKKYOSLONBH-RBUKOAKNSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(-c2ccccc2)n1 ZINC000926130372 627848577 /nfs/dbraw/zinc/84/85/77/627848577.db2.gz OPTUKKYOSLONBH-RBUKOAKNSA-N 2 2 324.472 3.194 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368859 627884910 /nfs/dbraw/zinc/88/49/10/627884910.db2.gz GLAOHDCYKYLQRO-APWZRJJASA-N 2 2 324.472 3.428 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368859 627884912 /nfs/dbraw/zinc/88/49/12/627884912.db2.gz GLAOHDCYKYLQRO-APWZRJJASA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1OCCc2sccc21 ZINC000926475827 627901434 /nfs/dbraw/zinc/90/14/34/627901434.db2.gz GECDZSCALREILC-JXSMBQFASA-N 2 2 320.502 3.357 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1OCCc2sccc21 ZINC000926475827 627901437 /nfs/dbraw/zinc/90/14/37/627901437.db2.gz GECDZSCALREILC-JXSMBQFASA-N 2 2 320.502 3.357 20 0 DGADLP CC[C@@H]1COC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496735 627904544 /nfs/dbraw/zinc/90/45/44/627904544.db2.gz LHKKKPIAAKZDQR-DOMZBBRYSA-N 2 2 305.809 3.040 20 0 DGADLP c1ccc2c(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000926690713 627933483 /nfs/dbraw/zinc/93/34/83/627933483.db2.gz UIDLPPHIAMETEM-UXHICEINSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2c(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000926690713 627933489 /nfs/dbraw/zinc/93/34/89/627933489.db2.gz UIDLPPHIAMETEM-UXHICEINSA-N 2 2 309.457 3.384 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926811816 627959361 /nfs/dbraw/zinc/95/93/61/627959361.db2.gz IDHYTYIVGUSJJA-APIJFGDWSA-N 2 2 302.384 3.490 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926811816 627959367 /nfs/dbraw/zinc/95/93/67/627959367.db2.gz IDHYTYIVGUSJJA-APIJFGDWSA-N 2 2 302.384 3.490 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)ccc1SC(F)F ZINC000817951239 627972564 /nfs/dbraw/zinc/97/25/64/627972564.db2.gz CEXREYLNONTNNX-ZYHUDNBSSA-N 2 2 316.417 3.413 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000817955219 627974080 /nfs/dbraw/zinc/97/40/80/627974080.db2.gz SUEMPKFJKBOJFJ-KXBFYZLASA-N 2 2 323.440 3.164 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817983843 627983552 /nfs/dbraw/zinc/98/35/52/627983552.db2.gz JTARVMKQDHOLLR-KOLCDFICSA-N 2 2 302.249 3.368 20 0 DGADLP C[C@@H](CC1CC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958823 627989768 /nfs/dbraw/zinc/98/97/68/627989768.db2.gz PYXSWWNUYZMVQL-KRWDZBQOSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](CC1CC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958823 627989774 /nfs/dbraw/zinc/98/97/74/627989774.db2.gz PYXSWWNUYZMVQL-KRWDZBQOSA-N 2 2 316.489 3.446 20 0 DGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@H]2C1 ZINC000818329920 628013977 /nfs/dbraw/zinc/01/39/77/628013977.db2.gz ILDBVGPNBSFBNL-JSRQGNBESA-N 2 2 305.466 3.091 20 0 DGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000927108361 628016022 /nfs/dbraw/zinc/01/60/22/628016022.db2.gz IRLBARCYLARLER-YLJYHZDGSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000927108361 628016024 /nfs/dbraw/zinc/01/60/24/628016024.db2.gz IRLBARCYLARLER-YLJYHZDGSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000819014455 628078012 /nfs/dbraw/zinc/07/80/12/628078012.db2.gz PWMLYHKWHKRRCF-QFBILLFUSA-N 2 2 312.457 3.439 20 0 DGADLP Fc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(F)cn1 ZINC000823399443 628556696 /nfs/dbraw/zinc/55/66/96/628556696.db2.gz DHYPJUBRZZPSLZ-UHFFFAOYSA-N 2 2 323.431 3.448 20 0 DGADLP Fc1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccnc1Cl ZINC000823654116 628583679 /nfs/dbraw/zinc/58/36/79/628583679.db2.gz NEPZGHLLOXJVIQ-UHFFFAOYSA-N 2 2 320.799 3.028 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000823943895 628612237 /nfs/dbraw/zinc/61/22/37/628612237.db2.gz QGBQMWLFBVFBQO-BMFZPTHFSA-N 2 2 301.459 3.045 20 0 DGADLP Cn1nc(C2CC2)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000823966145 628614643 /nfs/dbraw/zinc/61/46/43/628614643.db2.gz FUAGOSZRWGEZLI-UHFFFAOYSA-N 2 2 316.493 3.184 20 0 DGADLP CC[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824783307 628693477 /nfs/dbraw/zinc/69/34/77/628693477.db2.gz IWEGIIQNYVUHLX-CVEARBPZSA-N 2 2 301.478 3.357 20 0 DGADLP CCc1nc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)co1 ZINC000834900037 629802965 /nfs/dbraw/zinc/80/29/65/629802965.db2.gz LYDAKYAVWQRKHX-CQSZACIVSA-N 2 2 317.433 3.028 20 0 DGADLP Cc1cc([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1OC1CCOCC1 ZINC000841092791 630406771 /nfs/dbraw/zinc/40/67/71/630406771.db2.gz GUXYYHAEPHYNQU-CVEARBPZSA-N 2 2 318.461 3.353 20 0 DGADLP [NH3+]CCCCCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000842472452 630538628 /nfs/dbraw/zinc/53/86/28/630538628.db2.gz YJQIHLOHOUEZTR-HNNXBMFYSA-N 2 2 306.454 3.383 20 0 DGADLP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000842472452 630538630 /nfs/dbraw/zinc/53/86/30/630538630.db2.gz YJQIHLOHOUEZTR-HNNXBMFYSA-N 2 2 306.454 3.383 20 0 DGADLP [NH3+]CCCCCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000842472454 630539069 /nfs/dbraw/zinc/53/90/69/630539069.db2.gz YJQIHLOHOUEZTR-OAHLLOKOSA-N 2 2 306.454 3.383 20 0 DGADLP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000842472454 630539073 /nfs/dbraw/zinc/53/90/73/630539073.db2.gz YJQIHLOHOUEZTR-OAHLLOKOSA-N 2 2 306.454 3.383 20 0 DGADLP CCc1cc2oc(=O)cc(C[N@H+](C)CCC[NH2+]C)c2cc1Cl ZINC000842478292 630540024 /nfs/dbraw/zinc/54/00/24/630540024.db2.gz GTPRXZXMQDEBTG-UHFFFAOYSA-N 2 2 322.836 3.050 20 0 DGADLP CCc1cc2oc(=O)cc(C[N@@H+](C)CCC[NH2+]C)c2cc1Cl ZINC000842478292 630540025 /nfs/dbraw/zinc/54/00/25/630540025.db2.gz GTPRXZXMQDEBTG-UHFFFAOYSA-N 2 2 322.836 3.050 20 0 DGADLP CC(C)[C@H]([NH3+])c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000843151629 630621314 /nfs/dbraw/zinc/62/13/14/630621314.db2.gz APCUYLCHNVTJNR-GJZGRUSLSA-N 2 2 300.406 3.063 20 0 DGADLP CC(C)[C@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000843151629 630621317 /nfs/dbraw/zinc/62/13/17/630621317.db2.gz APCUYLCHNVTJNR-GJZGRUSLSA-N 2 2 300.406 3.063 20 0 DGADLP CCC[NH2+][C@@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000843178620 630627743 /nfs/dbraw/zinc/62/77/43/630627743.db2.gz WBMCRYXLVNHEEH-ZDUSSCGKSA-N 2 2 311.389 3.042 20 0 DGADLP CSc1ccc2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)c(Cl)nc2c1 ZINC000843348638 630648109 /nfs/dbraw/zinc/64/81/09/630648109.db2.gz UVCPDNUBRRZOLO-LLVKDONJSA-N 2 2 321.877 3.391 20 0 DGADLP CSc1ccc2cc(C[N@H+]3CC[C@H](C[NH3+])C3)c(Cl)nc2c1 ZINC000843348638 630648112 /nfs/dbraw/zinc/64/81/12/630648112.db2.gz UVCPDNUBRRZOLO-LLVKDONJSA-N 2 2 321.877 3.391 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@](C)(O)c1ccccc1 ZINC000846041199 631207785 /nfs/dbraw/zinc/20/77/85/631207785.db2.gz YSRYDDLXRUGTJU-JXFKEZNVSA-N 2 2 321.424 3.258 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC[NH2+]CC3)c2)[nH+]c1C ZINC000846674478 631284011 /nfs/dbraw/zinc/28/40/11/631284011.db2.gz YZVZJYILNYFZQZ-AWEZNQCLSA-N 2 2 312.417 3.022 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccn1 ZINC000848527496 631678725 /nfs/dbraw/zinc/67/87/25/631678725.db2.gz CAFVFMAUVRCSKE-HKUYNNGSSA-N 2 2 317.477 3.012 20 0 DGADLP CC(C)CNC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054286 631821334 /nfs/dbraw/zinc/82/13/34/631821334.db2.gz BIKTUSFJNPTLEQ-MRXNPFEDSA-N 2 2 322.884 3.247 20 0 DGADLP COc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000849064108 631824502 /nfs/dbraw/zinc/82/45/02/631824502.db2.gz YTCDOVFTNSKOGE-UHFFFAOYSA-N 2 2 321.384 3.017 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486497 632006845 /nfs/dbraw/zinc/00/68/45/632006845.db2.gz HSNQQJVWBDYUKX-IEBWSBKVSA-N 3 2 303.494 3.321 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000850173542 632072134 /nfs/dbraw/zinc/07/21/34/632072134.db2.gz LNZYPHOSGYNBKI-QWHCGFSZSA-N 2 2 316.367 3.390 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000850533091 632183525 /nfs/dbraw/zinc/18/35/25/632183525.db2.gz ZCQAPBLFGDFIMJ-SOLBZPMBSA-N 2 2 313.445 3.109 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000850542723 632188069 /nfs/dbraw/zinc/18/80/69/632188069.db2.gz AKHIGNAJRHTWCM-FZKCQIBNSA-N 2 2 314.564 3.076 20 0 DGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850554602 632191053 /nfs/dbraw/zinc/19/10/53/632191053.db2.gz DSLWEGBYHJRKOV-WMLDXEAASA-N 2 2 306.425 3.038 20 0 DGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850555885 632191750 /nfs/dbraw/zinc/19/17/50/632191750.db2.gz CVHBZIRUVXYPFU-WOJBJXKFSA-N 2 2 316.489 3.097 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC001034696458 660783811 /nfs/dbraw/zinc/78/38/11/660783811.db2.gz PLMYWOSQGAWHBS-WKILWMFISA-N 2 2 303.450 3.046 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000708522372 660923988 /nfs/dbraw/zinc/92/39/88/660923988.db2.gz VXZFJFFTVXXDLM-WMLDXEAASA-N 2 2 315.486 3.309 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000708522372 660923992 /nfs/dbraw/zinc/92/39/92/660923992.db2.gz VXZFJFFTVXXDLM-WMLDXEAASA-N 2 2 315.486 3.309 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794834493 661108468 /nfs/dbraw/zinc/10/84/68/661108468.db2.gz JGCOFIOXVRAATF-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794834493 661108469 /nfs/dbraw/zinc/10/84/69/661108469.db2.gz JGCOFIOXVRAATF-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1F ZINC000794836612 661108702 /nfs/dbraw/zinc/10/87/02/661108702.db2.gz RKZLFBOCQWMUND-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1F ZINC000794836612 661108703 /nfs/dbraw/zinc/10/87/03/661108703.db2.gz RKZLFBOCQWMUND-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000248827269 655555981 /nfs/dbraw/zinc/55/59/81/655555981.db2.gz GOQQRAKUANKNOM-MOPGFXCFSA-N 2 2 300.446 3.179 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000248827269 655555983 /nfs/dbraw/zinc/55/59/83/655555983.db2.gz GOQQRAKUANKNOM-MOPGFXCFSA-N 2 2 300.446 3.179 20 0 DGADLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000187687385 655632592 /nfs/dbraw/zinc/63/25/92/655632592.db2.gz HXRIIUMHHMGCME-UHFFFAOYSA-N 2 2 323.824 3.212 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000090721104 655691055 /nfs/dbraw/zinc/69/10/55/655691055.db2.gz BTGZAEZQJUVIQH-GHMZBOCLSA-N 2 2 304.406 3.308 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000090721104 655691056 /nfs/dbraw/zinc/69/10/56/655691056.db2.gz BTGZAEZQJUVIQH-GHMZBOCLSA-N 2 2 304.406 3.308 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)cc2c1OCC2 ZINC000933270241 655693666 /nfs/dbraw/zinc/69/36/66/655693666.db2.gz ACYQUTFWZIUPEK-LBPRGKRZSA-N 2 2 305.809 3.212 20 0 DGADLP Cc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000161301019 655780476 /nfs/dbraw/zinc/78/04/76/655780476.db2.gz HFVAWOQFAICUIH-UHFFFAOYSA-N 2 2 324.472 3.215 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([N@@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001027501080 656320364 /nfs/dbraw/zinc/32/03/64/656320364.db2.gz RENTVBVVMARDOU-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([N@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001027501080 656320366 /nfs/dbraw/zinc/32/03/66/656320366.db2.gz RENTVBVVMARDOU-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251597063 657524676 /nfs/dbraw/zinc/52/46/76/657524676.db2.gz CXJZTEOCBFVYJJ-SWLSCSKDSA-N 2 2 303.837 3.447 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251597063 657524679 /nfs/dbraw/zinc/52/46/79/657524679.db2.gz CXJZTEOCBFVYJJ-SWLSCSKDSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305718920 657927799 /nfs/dbraw/zinc/92/77/99/657927799.db2.gz HUNFUCCOTDFSPQ-WMLDXEAASA-N 2 2 311.385 3.067 20 0 DGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305718918 657927977 /nfs/dbraw/zinc/92/79/77/657927977.db2.gz HUNFUCCOTDFSPQ-PBHICJAKSA-N 2 2 311.385 3.067 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000168695852 659149609 /nfs/dbraw/zinc/14/96/09/659149609.db2.gz XYCHCFSAZQOCIM-GOSISDBHSA-N 2 2 319.518 3.207 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000062254313 659311990 /nfs/dbraw/zinc/31/19/90/659311990.db2.gz BRBZHSGHXWRFBV-HNNXBMFYSA-N 2 2 317.433 3.106 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000929533702 661316062 /nfs/dbraw/zinc/31/60/62/661316062.db2.gz VVTOBWCVJCFWRD-MRXNPFEDSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000929533702 661316065 /nfs/dbraw/zinc/31/60/65/661316065.db2.gz VVTOBWCVJCFWRD-MRXNPFEDSA-N 2 2 308.385 3.375 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)C[C@H]1C ZINC000929782507 661337712 /nfs/dbraw/zinc/33/77/12/661337712.db2.gz VVKXMVRINGDLCB-UXLLHSPISA-N 2 2 318.461 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)C[C@H]1C ZINC000929782507 661337713 /nfs/dbraw/zinc/33/77/13/661337713.db2.gz VVKXMVRINGDLCB-UXLLHSPISA-N 2 2 318.461 3.016 20 0 DGADLP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000930318670 661388257 /nfs/dbraw/zinc/38/82/57/661388257.db2.gz AXNLITGSWFDIJZ-SFHVURJKSA-N 2 2 306.494 3.144 20 0 DGADLP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000930318670 661388259 /nfs/dbraw/zinc/38/82/59/661388259.db2.gz AXNLITGSWFDIJZ-SFHVURJKSA-N 2 2 306.494 3.144 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000930585855 661413323 /nfs/dbraw/zinc/41/33/23/661413323.db2.gz CIFZBLFVMZXERF-HNNXBMFYSA-N 2 2 305.809 3.333 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000930585855 661413324 /nfs/dbraw/zinc/41/33/24/661413324.db2.gz CIFZBLFVMZXERF-HNNXBMFYSA-N 2 2 305.809 3.333 20 0 DGADLP CSc1ccc(OCC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931312859 661466155 /nfs/dbraw/zinc/46/61/55/661466155.db2.gz ZFEUSTALMQEIAR-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP CSc1ccc(OCC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931312859 661466157 /nfs/dbraw/zinc/46/61/57/661466157.db2.gz ZFEUSTALMQEIAR-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP CSc1ccc(OCC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000931312859 661466158 /nfs/dbraw/zinc/46/61/58/661466158.db2.gz ZFEUSTALMQEIAR-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP CSc1ccc(OCC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000931312859 661466159 /nfs/dbraw/zinc/46/61/59/661466159.db2.gz ZFEUSTALMQEIAR-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000931470065 661480303 /nfs/dbraw/zinc/48/03/03/661480303.db2.gz AQOYTEGDQJVNOA-OAHLLOKOSA-N 2 2 318.461 3.017 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000931510146 661483823 /nfs/dbraw/zinc/48/38/23/661483823.db2.gz UAPBQNJDETUXFD-UHFFFAOYSA-N 2 2 307.319 3.241 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000931510146 661483824 /nfs/dbraw/zinc/48/38/24/661483824.db2.gz UAPBQNJDETUXFD-UHFFFAOYSA-N 2 2 307.319 3.241 20 0 DGADLP CO[C@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)c1ccc(Cl)cc1 ZINC000931518750 661484767 /nfs/dbraw/zinc/48/47/67/661484767.db2.gz RSDIQJQMPVDXHT-QGZVFWFLSA-N 2 2 317.820 3.063 20 0 DGADLP CO[C@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)c1ccc(Cl)cc1 ZINC000931518750 661484768 /nfs/dbraw/zinc/48/47/68/661484768.db2.gz RSDIQJQMPVDXHT-QGZVFWFLSA-N 2 2 317.820 3.063 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000931706236 661500381 /nfs/dbraw/zinc/50/03/81/661500381.db2.gz BBVQAUYQYCBPSR-WOJBJXKFSA-N 2 2 321.424 3.256 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932265196 661554845 /nfs/dbraw/zinc/55/48/45/661554845.db2.gz NZEBGWDKFBQZQL-LJQANCHMSA-N 2 2 321.428 3.251 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932265196 661554846 /nfs/dbraw/zinc/55/48/46/661554846.db2.gz NZEBGWDKFBQZQL-LJQANCHMSA-N 2 2 321.428 3.251 20 0 DGADLP CCC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000190282046 662026049 /nfs/dbraw/zinc/02/60/49/662026049.db2.gz SGUZESSWGLWVFD-QUCCMNQESA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000190282046 662026050 /nfs/dbraw/zinc/02/60/50/662026050.db2.gz SGUZESSWGLWVFD-QUCCMNQESA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190282046 662026052 /nfs/dbraw/zinc/02/60/52/662026052.db2.gz SGUZESSWGLWVFD-QUCCMNQESA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190282046 662026053 /nfs/dbraw/zinc/02/60/53/662026053.db2.gz SGUZESSWGLWVFD-QUCCMNQESA-N 2 2 314.473 3.342 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000194724316 662172114 /nfs/dbraw/zinc/17/21/14/662172114.db2.gz GOQQRAKUANKNOM-OALUTQOASA-N 2 2 300.446 3.179 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000194724316 662172115 /nfs/dbraw/zinc/17/21/15/662172115.db2.gz GOQQRAKUANKNOM-OALUTQOASA-N 2 2 300.446 3.179 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911005 662291125 /nfs/dbraw/zinc/29/11/25/662291125.db2.gz GGNAMNVBMIVRGG-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911005 662291127 /nfs/dbraw/zinc/29/11/27/662291127.db2.gz GGNAMNVBMIVRGG-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911005 662291130 /nfs/dbraw/zinc/29/11/30/662291130.db2.gz GGNAMNVBMIVRGG-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911005 662291133 /nfs/dbraw/zinc/29/11/33/662291133.db2.gz GGNAMNVBMIVRGG-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCC=CO2)CCC1 ZINC000386942791 685180598 /nfs/dbraw/zinc/18/05/98/685180598.db2.gz VZMNOAMHQKZQEO-SFHVURJKSA-N 2 2 300.446 3.323 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCC=CO2)CCC1 ZINC000386942791 685180602 /nfs/dbraw/zinc/18/06/02/685180602.db2.gz VZMNOAMHQKZQEO-SFHVURJKSA-N 2 2 300.446 3.323 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000391980207 685213618 /nfs/dbraw/zinc/21/36/18/685213618.db2.gz PHGWULIEGMKWAN-KRWDZBQOSA-N 2 2 315.461 3.315 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394415 685230635 /nfs/dbraw/zinc/23/06/35/685230635.db2.gz KVPROQVNFIYBQA-NTZNESFSSA-N 2 2 311.813 3.053 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394415 685230640 /nfs/dbraw/zinc/23/06/40/685230640.db2.gz KVPROQVNFIYBQA-NTZNESFSSA-N 2 2 311.813 3.053 20 0 DGADLP C[C@@H]1CCC[C@@H]([N@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001576678308 1191861997 /nfs/dbraw/zinc/86/19/97/1191861997.db2.gz MUULJMYHHULFEO-IJEWVQPXSA-N 2 2 304.434 3.001 20 0 DGADLP C[C@@H]1CCC[C@@H]([N@@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001576678308 1191862013 /nfs/dbraw/zinc/86/20/13/1191862013.db2.gz MUULJMYHHULFEO-IJEWVQPXSA-N 2 2 304.434 3.001 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC001620780902 1191867051 /nfs/dbraw/zinc/86/70/51/1191867051.db2.gz FZBAJWZBQFGFNI-KGETVQGISA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC001620780902 1191867052 /nfs/dbraw/zinc/86/70/52/1191867052.db2.gz FZBAJWZBQFGFNI-KGETVQGISA-N 2 2 314.473 3.078 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747737 1191867562 /nfs/dbraw/zinc/86/75/62/1191867562.db2.gz CZZYNZHRUDXJLR-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001576983503 1191878531 /nfs/dbraw/zinc/87/85/31/1191878531.db2.gz QSIXOSRYDRGRCY-WBMJQRKESA-N 2 2 314.433 3.003 20 0 DGADLP C[N@H+](Cc1cc2cc(Br)ccc2o1)CC(C)(C)[NH3+] ZINC001578485443 1191946110 /nfs/dbraw/zinc/94/61/10/1191946110.db2.gz FZOSGEFTJFDWIC-UHFFFAOYSA-N 2 2 311.223 3.364 20 0 DGADLP C[N@@H+](Cc1cc2cc(Br)ccc2o1)CC(C)(C)[NH3+] ZINC001578485443 1191946111 /nfs/dbraw/zinc/94/61/11/1191946111.db2.gz FZOSGEFTJFDWIC-UHFFFAOYSA-N 2 2 311.223 3.364 20 0 DGADLP COCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC001579005455 1191964243 /nfs/dbraw/zinc/96/42/43/1191964243.db2.gz PFUDOAQQIFOXLZ-HUUCEWRRSA-N 2 2 316.367 3.125 20 0 DGADLP Cc1cccc2c1C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccccc1)CO2 ZINC001579775886 1191992502 /nfs/dbraw/zinc/99/25/02/1191992502.db2.gz HPHFSWNPTJIINN-CMKODMSKSA-N 2 2 322.452 3.034 20 0 DGADLP FC(F)(F)c1cccc([C@@]2(F)CC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001580022015 1192002909 /nfs/dbraw/zinc/00/29/09/1192002909.db2.gz YNTBLIOOJNBXAK-SWLSCSKDSA-N 2 2 316.342 3.185 20 0 DGADLP FC(F)(F)c1cccc([C@@]2(F)CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001580022015 1192002912 /nfs/dbraw/zinc/00/29/12/1192002912.db2.gz YNTBLIOOJNBXAK-SWLSCSKDSA-N 2 2 316.342 3.185 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158647 1192010805 /nfs/dbraw/zinc/01/08/05/1192010805.db2.gz VJULNEYDTBYXMM-CXAGYDPISA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158647 1192010808 /nfs/dbraw/zinc/01/08/08/1192010808.db2.gz VJULNEYDTBYXMM-CXAGYDPISA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158649 1192010841 /nfs/dbraw/zinc/01/08/41/1192010841.db2.gz VJULNEYDTBYXMM-GUYCJALGSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158649 1192010843 /nfs/dbraw/zinc/01/08/43/1192010843.db2.gz VJULNEYDTBYXMM-GUYCJALGSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+]C[C@@H](CSc1[nH+]cc2ccccn21)c1ccc(F)cc1 ZINC001580216038 1192013998 /nfs/dbraw/zinc/01/39/98/1192013998.db2.gz SRMAJQIABFYOGY-ZDUSSCGKSA-N 2 2 301.390 3.308 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC000228077746 1176797510 /nfs/dbraw/zinc/79/75/10/1176797510.db2.gz DRIPMUFJKZYJRH-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC000228077746 1176797523 /nfs/dbraw/zinc/79/75/23/1176797523.db2.gz DRIPMUFJKZYJRH-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691512124 1177046897 /nfs/dbraw/zinc/04/68/97/1177046897.db2.gz RFPJOMGTUCJMGC-ZLIFDBKOSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1CCC2(CC2)CC1 ZINC001330901502 1178088421 /nfs/dbraw/zinc/08/84/21/1178088421.db2.gz LRTLIYQJGDBXHZ-UHFFFAOYSA-N 2 2 310.401 3.485 20 0 DGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001330981576 1178105422 /nfs/dbraw/zinc/10/54/22/1178105422.db2.gz IOVMPJDWEWRVFI-HZPDHXFCSA-N 2 2 312.417 3.020 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC001331092113 1178133971 /nfs/dbraw/zinc/13/39/71/1178133971.db2.gz UBZZYQGCZCKZCB-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001331092113 1178133975 /nfs/dbraw/zinc/13/39/75/1178133975.db2.gz UBZZYQGCZCKZCB-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP CC[C@]1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CC[NH2+]C1 ZINC001331419200 1178209409 /nfs/dbraw/zinc/20/94/09/1178209409.db2.gz MDOGHGARXDNGJP-SFHVURJKSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001331518746 1178233399 /nfs/dbraw/zinc/23/33/99/1178233399.db2.gz URTWYXJDGBWPGF-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP CC[C@]1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCC[NH2+]1 ZINC001332077704 1178352543 /nfs/dbraw/zinc/35/25/43/1178352543.db2.gz UBQYULXTGRWSGH-GOSISDBHSA-N 2 2 312.417 3.164 20 0 DGADLP CC[N@@H+](Cc1ocnc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC001332692281 1178475051 /nfs/dbraw/zinc/47/50/51/1178475051.db2.gz SMNWNPPVDKUANM-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC[N@H+](Cc1ocnc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC001332692281 1178475056 /nfs/dbraw/zinc/47/50/56/1178475056.db2.gz SMNWNPPVDKUANM-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001333320525 1178587915 /nfs/dbraw/zinc/58/79/15/1178587915.db2.gz OPTHOLGGJXMPCA-QZTJIDSGSA-N 2 2 323.484 3.480 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001333320525 1178587922 /nfs/dbraw/zinc/58/79/22/1178587922.db2.gz OPTHOLGGJXMPCA-QZTJIDSGSA-N 2 2 323.484 3.480 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC001334742871 1178789286 /nfs/dbraw/zinc/78/92/86/1178789286.db2.gz LKRMLYNGJSERAM-KBRIMQKVSA-N 2 2 306.425 3.235 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC001342506052 1179147205 /nfs/dbraw/zinc/14/72/05/1179147205.db2.gz ZUIOWFNXQXJQKA-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001342506052 1179147207 /nfs/dbraw/zinc/14/72/07/1179147207.db2.gz ZUIOWFNXQXJQKA-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP COc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001621046242 1192957360 /nfs/dbraw/zinc/95/73/60/1192957360.db2.gz ZFNVVECGCMMHIV-GOSISDBHSA-N 2 2 307.397 3.423 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC001348659359 1179844879 /nfs/dbraw/zinc/84/48/79/1179844879.db2.gz QHJOZLKMIMGLMA-CYBMUJFWSA-N 2 2 318.469 3.114 20 0 DGADLP [NH3+][C@@H](c1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298290 1179888543 /nfs/dbraw/zinc/88/85/43/1179888543.db2.gz CUYUKVGXLOMOIB-HZPDHXFCSA-N 2 2 312.417 3.197 20 0 DGADLP [NH3+][C@@H](c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298290 1179888557 /nfs/dbraw/zinc/88/85/57/1179888557.db2.gz CUYUKVGXLOMOIB-HZPDHXFCSA-N 2 2 312.417 3.197 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001200411380 1180622518 /nfs/dbraw/zinc/62/25/18/1180622518.db2.gz GKASBCBYNRBCJD-MISYRCLQSA-N 2 2 315.505 3.286 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001200411380 1180622524 /nfs/dbraw/zinc/62/25/24/1180622524.db2.gz GKASBCBYNRBCJD-MISYRCLQSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001200411380 1180622530 /nfs/dbraw/zinc/62/25/30/1180622530.db2.gz GKASBCBYNRBCJD-MISYRCLQSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001200411380 1180622534 /nfs/dbraw/zinc/62/25/34/1180622534.db2.gz GKASBCBYNRBCJD-MISYRCLQSA-N 2 2 315.505 3.286 20 0 DGADLP Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(C2CCC2)[nH+]1 ZINC001458250961 1182508652 /nfs/dbraw/zinc/50/86/52/1182508652.db2.gz CTSLCMTVGLUTTB-HNNXBMFYSA-N 2 2 302.466 3.442 20 0 DGADLP Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc(C2CCC2)[nH+]1 ZINC001458250961 1182508657 /nfs/dbraw/zinc/50/86/57/1182508657.db2.gz CTSLCMTVGLUTTB-HNNXBMFYSA-N 2 2 302.466 3.442 20 0 DGADLP Cc1cc(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)nc(C)[nH+]1 ZINC001458559726 1182539935 /nfs/dbraw/zinc/53/99/35/1182539935.db2.gz WZDVKFNUCSAKQJ-GOSISDBHSA-N 2 2 323.444 3.121 20 0 DGADLP Cc1cc(Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)nc(C)[nH+]1 ZINC001458559726 1182539941 /nfs/dbraw/zinc/53/99/41/1182539941.db2.gz WZDVKFNUCSAKQJ-GOSISDBHSA-N 2 2 323.444 3.121 20 0 DGADLP CCC[C@H](C)CCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001460709848 1182711702 /nfs/dbraw/zinc/71/17/02/1182711702.db2.gz YHBDPHVGBHBKRY-KRWDZBQOSA-N 2 2 323.525 3.009 20 0 DGADLP CC(C)[C@H](O)CC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975593 1182748781 /nfs/dbraw/zinc/74/87/81/1182748781.db2.gz RGKFBNHNUOWIPT-NVXWUHKLSA-N 2 2 307.482 3.225 20 0 DGADLP CC(C)[C@H](O)CC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975593 1182748786 /nfs/dbraw/zinc/74/87/86/1182748786.db2.gz RGKFBNHNUOWIPT-NVXWUHKLSA-N 2 2 307.482 3.225 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N(C)C)CC1 ZINC001461006251 1182754588 /nfs/dbraw/zinc/75/45/88/1182754588.db2.gz XDMDTMHWDGZAOS-UHFFFAOYSA-N 2 2 309.885 3.370 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(C2CC2)s1 ZINC001461085279 1182765245 /nfs/dbraw/zinc/76/52/45/1182765245.db2.gz FJFWAEIYBXWECK-CQSZACIVSA-N 2 2 304.463 3.422 20 0 DGADLP COc1ccc(C[NH+](C)C)cc1NCc1c[nH+]c2ccc(C)cn12 ZINC001461331931 1182795971 /nfs/dbraw/zinc/79/59/71/1182795971.db2.gz MOFWBZUNXSPRPX-UHFFFAOYSA-N 2 2 324.428 3.325 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001461372581 1182801459 /nfs/dbraw/zinc/80/14/59/1182801459.db2.gz HUNYOXBPFJZWLG-OAHLLOKOSA-N 2 2 321.534 3.480 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001461372581 1182801467 /nfs/dbraw/zinc/80/14/67/1182801467.db2.gz HUNYOXBPFJZWLG-OAHLLOKOSA-N 2 2 321.534 3.480 20 0 DGADLP COc1cccc(C2CC([NH2+]CC[N@@H+]3CCC(C)(C)C3)C2)c1 ZINC001462653349 1182980703 /nfs/dbraw/zinc/98/07/03/1182980703.db2.gz LKSZMUOGSPQGKX-UHFFFAOYSA-N 2 2 302.462 3.263 20 0 DGADLP COc1cccc(C2CC([NH2+]CC[N@H+]3CCC(C)(C)C3)C2)c1 ZINC001462653349 1182980710 /nfs/dbraw/zinc/98/07/10/1182980710.db2.gz LKSZMUOGSPQGKX-UHFFFAOYSA-N 2 2 302.462 3.263 20 0 DGADLP Cc1cccnc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473777975 1183801526 /nfs/dbraw/zinc/80/15/26/1183801526.db2.gz LRKRIKKRAIWJSB-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccnc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473777975 1183801528 /nfs/dbraw/zinc/80/15/28/1183801528.db2.gz LRKRIKKRAIWJSB-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccnc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473777975 1183801530 /nfs/dbraw/zinc/80/15/30/1183801530.db2.gz LRKRIKKRAIWJSB-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccnc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473777975 1183801532 /nfs/dbraw/zinc/80/15/32/1183801532.db2.gz LRKRIKKRAIWJSB-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1nc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)nc2ccccc12 ZINC001473894729 1183820079 /nfs/dbraw/zinc/82/00/79/1183820079.db2.gz OZDACTIJDRVLIU-UHFFFAOYSA-N 2 2 321.428 3.051 20 0 DGADLP CCO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001473927043 1183830306 /nfs/dbraw/zinc/83/03/06/1183830306.db2.gz VDVRSKFXLPGOCP-OALUTQOASA-N 2 2 313.445 3.369 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)CC2 ZINC001473934412 1183833733 /nfs/dbraw/zinc/83/37/33/1183833733.db2.gz YQYUBXLWTSHLCM-TXPKVOOTSA-N 2 2 316.489 3.405 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)CC2 ZINC001473934412 1183833737 /nfs/dbraw/zinc/83/37/37/1183833737.db2.gz YQYUBXLWTSHLCM-TXPKVOOTSA-N 2 2 316.489 3.405 20 0 DGADLP c1cc(CNc2ccc(-n3cc[nH+]c3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001473945997 1183834745 /nfs/dbraw/zinc/83/47/45/1183834745.db2.gz ABVYIGNEKGWQOF-UHFFFAOYSA-N 2 2 316.368 3.065 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC001473950658 1183836177 /nfs/dbraw/zinc/83/61/77/1183836177.db2.gz RCUMQTNJJBGZDL-HNNXBMFYSA-N 2 2 318.490 3.423 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC001473966808 1183840028 /nfs/dbraw/zinc/84/00/28/1183840028.db2.gz ZVEAQNAEEKGTMV-UHFFFAOYSA-N 2 2 315.751 3.236 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC001474010747 1183850278 /nfs/dbraw/zinc/85/02/78/1183850278.db2.gz WHGDYZYCWSIYFF-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC001474010747 1183850281 /nfs/dbraw/zinc/85/02/81/1183850281.db2.gz WHGDYZYCWSIYFF-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP Clc1cscc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001474270083 1183892555 /nfs/dbraw/zinc/89/25/55/1183892555.db2.gz SBYQJDWTIGGQEP-UHFFFAOYSA-N 2 2 304.806 3.272 20 0 DGADLP COCC1(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCC1 ZINC001474473619 1183928520 /nfs/dbraw/zinc/92/85/20/1183928520.db2.gz XLDGHGJJVMRNSX-UHFFFAOYSA-N 2 2 308.510 3.439 20 0 DGADLP CC/C=C\CC[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496748476 1185240324 /nfs/dbraw/zinc/24/03/24/1185240324.db2.gz GVTARKCEADGXCM-HJWRWDBZSA-N 2 2 317.477 3.367 20 0 DGADLP CC/C=C\CC[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496748476 1185240327 /nfs/dbraw/zinc/24/03/27/1185240327.db2.gz GVTARKCEADGXCM-HJWRWDBZSA-N 2 2 317.477 3.367 20 0 DGADLP CCCCC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001505509432 1186095831 /nfs/dbraw/zinc/09/58/31/1186095831.db2.gz VLPTZZVPFRHKRQ-UHFFFAOYSA-N 2 2 317.477 3.295 20 0 DGADLP CCNc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC001617103059 1193557724 /nfs/dbraw/zinc/55/77/24/1193557724.db2.gz JBCYSKRLCMDAAI-ZIAGYGMSSA-N 2 2 322.522 3.318 20 0 DGADLP CCNc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC001617103059 1193557726 /nfs/dbraw/zinc/55/77/26/1193557726.db2.gz JBCYSKRLCMDAAI-ZIAGYGMSSA-N 2 2 322.522 3.318 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222443 1188507732 /nfs/dbraw/zinc/50/77/32/1188507732.db2.gz MLWKRRCMCJMPGE-FUHWJXTLSA-N 2 2 305.466 3.195 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222443 1188507737 /nfs/dbraw/zinc/50/77/37/1188507737.db2.gz MLWKRRCMCJMPGE-FUHWJXTLSA-N 2 2 305.466 3.195 20 0 DGADLP COC1C[C@@H]2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550750 1188526817 /nfs/dbraw/zinc/52/68/17/1188526817.db2.gz BDQZQMMUWBGHMB-NOOZDMMASA-N 2 2 306.494 3.187 20 0 DGADLP COC1C[C@@H]2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550750 1188526824 /nfs/dbraw/zinc/52/68/24/1188526824.db2.gz BDQZQMMUWBGHMB-NOOZDMMASA-N 2 2 306.494 3.187 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001549582810 1188528065 /nfs/dbraw/zinc/52/80/65/1188528065.db2.gz BUPIXGIQHPRQCL-GFCCVEGCSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001549582810 1188528069 /nfs/dbraw/zinc/52/80/69/1188528069.db2.gz BUPIXGIQHPRQCL-GFCCVEGCSA-N 2 2 324.350 3.214 20 0 DGADLP C[NH+](C)Cc1nc(C[NH2+][C@H]2[C@H](c3ccccc3)C2(C)C)cs1 ZINC001550128200 1188583197 /nfs/dbraw/zinc/58/31/97/1188583197.db2.gz IDQUZSXJHANULW-IRXDYDNUSA-N 2 2 315.486 3.487 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)cs2)o1 ZINC001550541191 1188622633 /nfs/dbraw/zinc/62/26/33/1188622633.db2.gz RYKVBYFPWAYMLI-UONOGXRCSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)cs2)o1 ZINC001550541191 1188622634 /nfs/dbraw/zinc/62/26/34/1188622634.db2.gz RYKVBYFPWAYMLI-UONOGXRCSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cs2)o1 ZINC001550541191 1188622636 /nfs/dbraw/zinc/62/26/36/1188622636.db2.gz RYKVBYFPWAYMLI-UONOGXRCSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cs2)o1 ZINC001550541191 1188622637 /nfs/dbraw/zinc/62/26/37/1188622637.db2.gz RYKVBYFPWAYMLI-UONOGXRCSA-N 2 2 317.458 3.095 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540129 1188622666 /nfs/dbraw/zinc/62/26/66/1188622666.db2.gz XRVCCYQXLKOHCY-QWHCGFSZSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540129 1188622668 /nfs/dbraw/zinc/62/26/68/1188622668.db2.gz XRVCCYQXLKOHCY-QWHCGFSZSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540129 1188622670 /nfs/dbraw/zinc/62/26/70/1188622670.db2.gz XRVCCYQXLKOHCY-QWHCGFSZSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540129 1188622672 /nfs/dbraw/zinc/62/26/72/1188622672.db2.gz XRVCCYQXLKOHCY-QWHCGFSZSA-N 2 2 319.499 3.255 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001550617446 1188632426 /nfs/dbraw/zinc/63/24/26/1188632426.db2.gz DQLVZIJRIOYALI-ZDUSSCGKSA-N 2 2 305.809 3.159 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001550617446 1188632429 /nfs/dbraw/zinc/63/24/29/1188632429.db2.gz DQLVZIJRIOYALI-ZDUSSCGKSA-N 2 2 305.809 3.159 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551377988 1188732298 /nfs/dbraw/zinc/73/22/98/1188732298.db2.gz LHPJRTUUSKVMNL-BXWFABGCSA-N 2 2 312.388 3.036 20 0 DGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc2c(c1)OCCCO2 ZINC001551376558 1188732313 /nfs/dbraw/zinc/73/23/13/1188732313.db2.gz ACZJJMBLMDPSLD-ZLXGRDSLSA-N 2 2 324.424 3.123 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001553024350 1188890426 /nfs/dbraw/zinc/89/04/26/1188890426.db2.gz YLCAQYXAGDHLRY-FSPWUOQZSA-N 2 2 314.429 3.308 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001553023673 1188890743 /nfs/dbraw/zinc/89/07/43/1188890743.db2.gz OLHHDUWOOZESLM-QRVBRYPASA-N 3 2 319.537 3.150 20 0 DGADLP CCC(CC)[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC001559062287 1189166921 /nfs/dbraw/zinc/16/69/21/1189166921.db2.gz RKGQXHIRVDTXLV-QGZVFWFLSA-N 2 2 304.482 3.442 20 0 DGADLP CCc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001559074761 1189168574 /nfs/dbraw/zinc/16/85/74/1189168574.db2.gz DVOMJISEGQYHNM-MRXNPFEDSA-N 2 2 316.424 3.455 20 0 DGADLP c1csc(-c2n[nH]cc2C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001560365203 1189319388 /nfs/dbraw/zinc/31/93/88/1189319388.db2.gz PPOHRMFLCFSREE-UHFFFAOYSA-N 2 2 313.430 3.125 20 0 DGADLP Cc1cc(C)cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001560404085 1189323849 /nfs/dbraw/zinc/32/38/49/1189323849.db2.gz IITGDEKBENBQAU-LJQANCHMSA-N 2 2 324.472 3.451 20 0 DGADLP Cc1cc(C)cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001560404084 1189324074 /nfs/dbraw/zinc/32/40/74/1189324074.db2.gz IITGDEKBENBQAU-IBGZPJMESA-N 2 2 324.472 3.451 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@@H]2C1 ZINC001560623190 1189350164 /nfs/dbraw/zinc/35/01/64/1189350164.db2.gz RAHSMUXCUKZYKB-YUTCNCBUSA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@@H]2C1 ZINC001560623190 1189350169 /nfs/dbraw/zinc/35/01/69/1189350169.db2.gz RAHSMUXCUKZYKB-YUTCNCBUSA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@]1(C)CCCCO1)C1CC1 ZINC001560776790 1189380673 /nfs/dbraw/zinc/38/06/73/1189380673.db2.gz ABIVZTWLGLQWGG-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@]1(C)CCCCO1)C1CC1 ZINC001560776790 1189380683 /nfs/dbraw/zinc/38/06/83/1189380683.db2.gz ABIVZTWLGLQWGG-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@]1(C)CCCCO1)C1CC1 ZINC001560776789 1189380806 /nfs/dbraw/zinc/38/08/06/1189380806.db2.gz ABIVZTWLGLQWGG-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@]1(C)CCCCO1)C1CC1 ZINC001560776789 1189380815 /nfs/dbraw/zinc/38/08/15/1189380815.db2.gz ABIVZTWLGLQWGG-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C2 ZINC001560806639 1189384245 /nfs/dbraw/zinc/38/42/45/1189384245.db2.gz XRXWBNXFLQYWCR-LPHOPBHVSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C2 ZINC001560806639 1189384249 /nfs/dbraw/zinc/38/42/49/1189384249.db2.gz XRXWBNXFLQYWCR-LPHOPBHVSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)ccn1 ZINC001560934536 1189407364 /nfs/dbraw/zinc/40/73/64/1189407364.db2.gz TWCQIDUAJAHGIF-CRAIPNDOSA-N 2 2 317.477 3.018 20 0 DGADLP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)ccn1 ZINC001560934536 1189407369 /nfs/dbraw/zinc/40/73/69/1189407369.db2.gz TWCQIDUAJAHGIF-CRAIPNDOSA-N 2 2 317.477 3.018 20 0 DGADLP CCCCC[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001566475313 1189777986 /nfs/dbraw/zinc/77/79/86/1189777986.db2.gz KKVFFRFHDVXWGJ-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCCC[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001566475313 1189777989 /nfs/dbraw/zinc/77/79/89/1189777989.db2.gz KKVFFRFHDVXWGJ-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001570536837 1190878750 /nfs/dbraw/zinc/87/87/50/1190878750.db2.gz UAJNUKYVUYDKQQ-KRWDZBQOSA-N 2 2 317.477 3.343 20 0 DGADLP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001570536837 1190878754 /nfs/dbraw/zinc/87/87/54/1190878754.db2.gz UAJNUKYVUYDKQQ-KRWDZBQOSA-N 2 2 317.477 3.343 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[C@H]([NH2+]CCF)C(C)C)c(C)[nH+]1 ZINC001570777406 1190948503 /nfs/dbraw/zinc/94/85/03/1190948503.db2.gz OXNVTSYMCWBMAE-INIZCTEOSA-N 2 2 323.456 3.053 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001574448080 1191444612 /nfs/dbraw/zinc/44/46/12/1191444612.db2.gz LGRRGBQLXBMQMX-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001574448080 1191444613 /nfs/dbraw/zinc/44/46/13/1191444613.db2.gz LGRRGBQLXBMQMX-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001574448081 1191444839 /nfs/dbraw/zinc/44/48/39/1191444839.db2.gz LGRRGBQLXBMQMX-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001574448081 1191444841 /nfs/dbraw/zinc/44/48/41/1191444841.db2.gz LGRRGBQLXBMQMX-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP CC(C)Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC001575648446 1191499525 /nfs/dbraw/zinc/49/95/25/1191499525.db2.gz LFAWYELDKUWZAX-OALUTQOASA-N 2 2 304.478 3.160 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C2CCCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001576253444 1191550302 /nfs/dbraw/zinc/55/03/02/1191550302.db2.gz WJPTUSBVCTUOQN-KXBFYZLASA-N 2 2 302.462 3.201 20 0 DGADLP CC1(C)CC[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccccc2)OC1 ZINC001576410289 1191600327 /nfs/dbraw/zinc/60/03/27/1191600327.db2.gz YVHTTWIQKXJTER-QYZOEREBSA-N 2 2 316.489 3.317 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001621100947 1193759369 /nfs/dbraw/zinc/75/93/69/1193759369.db2.gz ZGULOADZTLGCGZ-MRXNPFEDSA-N 2 2 304.478 3.338 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1 ZINC001621100947 1193759371 /nfs/dbraw/zinc/75/93/71/1193759371.db2.gz ZGULOADZTLGCGZ-MRXNPFEDSA-N 2 2 304.478 3.338 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001620678989 1193790227 /nfs/dbraw/zinc/79/02/27/1193790227.db2.gz PKBTXNIAUAOVBT-UHFFFAOYSA-N 2 2 319.836 3.462 20 0 DGADLP CC(C)[C@H](CNCc1cccc2[nH+]ccn21)[NH+]1CCCCCC1 ZINC001620713108 1193793797 /nfs/dbraw/zinc/79/37/97/1193793797.db2.gz SXBRXWBXBQCBDK-SFHVURJKSA-N 2 2 314.477 3.325 20 0 DGADLP COCc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001620714946 1193794394 /nfs/dbraw/zinc/79/43/94/1193794394.db2.gz APVOQAUFSIGZOM-UHFFFAOYSA-N 2 2 321.424 3.368 20 0 DGADLP CC(C)c1[nH+]c(CNC[C@@H]2CCCC[N@@H+]2C)c2ccccn21 ZINC001621094963 1193801340 /nfs/dbraw/zinc/80/13/40/1193801340.db2.gz UAFLUTADAPIOBL-HNNXBMFYSA-N 2 2 300.450 3.032 20 0 DGADLP CC(C)c1[nH+]c(CNC[C@@H]2CCCC[N@H+]2C)c2ccccn21 ZINC001621094963 1193801342 /nfs/dbraw/zinc/80/13/42/1193801342.db2.gz UAFLUTADAPIOBL-HNNXBMFYSA-N 2 2 300.450 3.032 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH+]2CC3(CCC3)C2)c2c1OC(F)(F)O2 ZINC001621381096 1193835927 /nfs/dbraw/zinc/83/59/27/1193835927.db2.gz QMBDLCZAXPYLLG-UHFFFAOYSA-N 2 2 324.371 3.056 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001621474817 1193847446 /nfs/dbraw/zinc/84/74/46/1193847446.db2.gz JEXINESHLSRFIU-WMZOPIPTSA-N 2 2 318.505 3.178 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001621474817 1193847449 /nfs/dbraw/zinc/84/74/49/1193847449.db2.gz JEXINESHLSRFIU-WMZOPIPTSA-N 2 2 318.505 3.178 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001621487432 1193849793 /nfs/dbraw/zinc/84/97/93/1193849793.db2.gz XSHWZKJZTBLYFV-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001621487432 1193849796 /nfs/dbraw/zinc/84/97/96/1193849796.db2.gz XSHWZKJZTBLYFV-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP CCCCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001621544856 1193855985 /nfs/dbraw/zinc/85/59/85/1193855985.db2.gz DHHKNJCJGXJBTA-MJGOQNOKSA-N 2 2 302.462 3.249 20 0 DGADLP CCCCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001621544856 1193855993 /nfs/dbraw/zinc/85/59/93/1193855993.db2.gz DHHKNJCJGXJBTA-MJGOQNOKSA-N 2 2 302.462 3.249 20 0 DGADLP CCCCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001621544856 1193855995 /nfs/dbraw/zinc/85/59/95/1193855995.db2.gz DHHKNJCJGXJBTA-MJGOQNOKSA-N 2 2 302.462 3.249 20 0 DGADLP CCCCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001621544856 1193855998 /nfs/dbraw/zinc/85/59/98/1193855998.db2.gz DHHKNJCJGXJBTA-MJGOQNOKSA-N 2 2 302.462 3.249 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC001621569236 1193860271 /nfs/dbraw/zinc/86/02/71/1193860271.db2.gz MRPRLVIATXQGBF-INIZCTEOSA-N 2 2 309.457 3.405 20 0 DGADLP CC[N@H+](Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000037538123 1193934893 /nfs/dbraw/zinc/93/48/93/1193934893.db2.gz PCVSFPWDTROOBQ-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CC[N@@H+](Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000037538123 1193934902 /nfs/dbraw/zinc/93/49/02/1193934902.db2.gz PCVSFPWDTROOBQ-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)nc(C)[nH+]1 ZINC001639920210 1194787432 /nfs/dbraw/zinc/78/74/32/1194787432.db2.gz UPMLVLYHWCPUES-INIZCTEOSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)nc(C)[nH+]1 ZINC001639920210 1194787434 /nfs/dbraw/zinc/78/74/34/1194787434.db2.gz UPMLVLYHWCPUES-INIZCTEOSA-N 2 2 324.472 3.306 20 0 DGADLP Cc1nc(NCCC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001640224861 1194802544 /nfs/dbraw/zinc/80/25/44/1194802544.db2.gz VZGWUQYMKAENPK-UHFFFAOYSA-N 2 2 310.445 3.499 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3cc(CC)[nH+]c(C)n3)CC2)cc1 ZINC001640335636 1194807288 /nfs/dbraw/zinc/80/72/88/1194807288.db2.gz DMEAZWAPLZASOO-UHFFFAOYSA-N 2 2 324.472 3.232 20 0 DGADLP Fc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC001642120093 1194888618 /nfs/dbraw/zinc/88/86/18/1194888618.db2.gz FHUJPXOAQXNSRF-LBPRGKRZSA-N 2 2 323.799 3.461 20 0 DGADLP Fc1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC001642120093 1194888622 /nfs/dbraw/zinc/88/86/22/1194888622.db2.gz FHUJPXOAQXNSRF-LBPRGKRZSA-N 2 2 323.799 3.461 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC001642811431 1194941709 /nfs/dbraw/zinc/94/17/09/1194941709.db2.gz CZOQCCBGBFEWEH-MBOZVWFJSA-N 2 2 316.489 3.433 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](Nc3nc(C)[nH+]c(C)c3C)C2)cc1 ZINC001643087855 1194978693 /nfs/dbraw/zinc/97/86/93/1194978693.db2.gz LHNABBHMUOAFDX-SFHVURJKSA-N 2 2 310.445 3.397 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](Nc3nc(C)[nH+]c(C)c3C)C2)cc1 ZINC001643087855 1194978739 /nfs/dbraw/zinc/97/87/39/1194978739.db2.gz LHNABBHMUOAFDX-SFHVURJKSA-N 2 2 310.445 3.397 20 0 DGADLP FCCCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001644662202 1195123886 /nfs/dbraw/zinc/12/38/86/1195123886.db2.gz PWANWYHIEPQULE-UHFFFAOYSA-N 2 2 322.468 3.351 20 0 DGADLP FCCCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001644662202 1195123890 /nfs/dbraw/zinc/12/38/90/1195123890.db2.gz PWANWYHIEPQULE-UHFFFAOYSA-N 2 2 322.468 3.351 20 0 DGADLP FCCCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001644662202 1195123892 /nfs/dbraw/zinc/12/38/92/1195123892.db2.gz PWANWYHIEPQULE-UHFFFAOYSA-N 2 2 322.468 3.351 20 0 DGADLP FCCCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001644662202 1195123893 /nfs/dbraw/zinc/12/38/93/1195123893.db2.gz PWANWYHIEPQULE-UHFFFAOYSA-N 2 2 322.468 3.351 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001647929667 1195265944 /nfs/dbraw/zinc/26/59/44/1195265944.db2.gz LEAYHUONCZJZRH-RTBURBONSA-N 2 2 302.462 3.247 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC001648026538 1195271819 /nfs/dbraw/zinc/27/18/19/1195271819.db2.gz DRFNFOKTRXSLKM-RTBURBONSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC001648026538 1195271822 /nfs/dbraw/zinc/27/18/22/1195271822.db2.gz DRFNFOKTRXSLKM-RTBURBONSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001648026538 1195271826 /nfs/dbraw/zinc/27/18/26/1195271826.db2.gz DRFNFOKTRXSLKM-RTBURBONSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)CC1 ZINC001648026538 1195271828 /nfs/dbraw/zinc/27/18/28/1195271828.db2.gz DRFNFOKTRXSLKM-RTBURBONSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[NH+](Cc1ccncc1)C2 ZINC001648035636 1195272601 /nfs/dbraw/zinc/27/26/01/1195272601.db2.gz NYMUYTHXURPPBD-SFTDATJTSA-N 2 2 321.468 3.426 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001648648295 1195317692 /nfs/dbraw/zinc/31/76/92/1195317692.db2.gz ZSSNNPNQFGDYAH-JKSUJKDBSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001648648295 1195317696 /nfs/dbraw/zinc/31/76/96/1195317696.db2.gz ZSSNNPNQFGDYAH-JKSUJKDBSA-N 2 2 305.466 3.244 20 0 DGADLP COc1ccc([C@@H](C)C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001648646026 1195317740 /nfs/dbraw/zinc/31/77/40/1195317740.db2.gz XGJKVUWPYOLGMA-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP C[C@H](CC[NH2+]Cc1cccc(F)c1OC(F)(F)F)[NH+](C)C ZINC001651380301 1195452385 /nfs/dbraw/zinc/45/23/85/1195452385.db2.gz QVNNBDCKDGTLFP-SNVBAGLBSA-N 2 2 308.319 3.154 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C1 ZINC000066973305 1195579625 /nfs/dbraw/zinc/57/96/25/1195579625.db2.gz MKMXGZFARMKZFS-HZPDHXFCSA-N 2 2 312.461 3.177 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cn(C4CC4)cn3)CC2)c[nH+]1 ZINC001652391588 1195590436 /nfs/dbraw/zinc/59/04/36/1195590436.db2.gz NXZZKLBLYPRQNM-UHFFFAOYSA-N 2 2 313.449 3.107 20 0 DGADLP CO[C@@H](C)C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001652391394 1195590544 /nfs/dbraw/zinc/59/05/44/1195590544.db2.gz GYSMGYDNCINZFC-AWEZNQCLSA-N 2 2 307.825 3.074 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncccc1F ZINC001652945816 1195673775 /nfs/dbraw/zinc/67/37/75/1195673775.db2.gz AINKXPHWARFQDK-DOTOQJQBSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncccc1F ZINC001652945816 1195673779 /nfs/dbraw/zinc/67/37/79/1195673779.db2.gz AINKXPHWARFQDK-DOTOQJQBSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653201760 1195697588 /nfs/dbraw/zinc/69/75/88/1195697588.db2.gz OWTSZANDKWXAOS-QUCCMNQESA-N 2 2 315.505 3.367 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001654512145 1195810955 /nfs/dbraw/zinc/81/09/55/1195810955.db2.gz IMZIPTJWGQLWMJ-IAGOWNOFSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001654512145 1195810958 /nfs/dbraw/zinc/81/09/58/1195810958.db2.gz IMZIPTJWGQLWMJ-IAGOWNOFSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1Br ZINC000070181550 1195851501 /nfs/dbraw/zinc/85/15/01/1195851501.db2.gz MVPZEARDDWWUKK-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1Br ZINC000070181550 1195851505 /nfs/dbraw/zinc/85/15/05/1195851505.db2.gz MVPZEARDDWWUKK-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001655049363 1195869469 /nfs/dbraw/zinc/86/94/69/1195869469.db2.gz LCGYPSJELCABJQ-OAHLLOKOSA-N 2 2 323.444 3.415 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001655049363 1195869472 /nfs/dbraw/zinc/86/94/72/1195869472.db2.gz LCGYPSJELCABJQ-OAHLLOKOSA-N 2 2 323.444 3.415 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001655049362 1195869884 /nfs/dbraw/zinc/86/98/84/1195869884.db2.gz LCGYPSJELCABJQ-HNNXBMFYSA-N 2 2 323.444 3.415 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001655049362 1195869890 /nfs/dbraw/zinc/86/98/90/1195869890.db2.gz LCGYPSJELCABJQ-HNNXBMFYSA-N 2 2 323.444 3.415 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001655168383 1195885894 /nfs/dbraw/zinc/88/58/94/1195885894.db2.gz AHGIQDNPMCYFLN-HXUWFJFHSA-N 2 2 316.489 3.401 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001655168383 1195885899 /nfs/dbraw/zinc/88/58/99/1195885899.db2.gz AHGIQDNPMCYFLN-HXUWFJFHSA-N 2 2 316.489 3.401 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)ccc1Cl ZINC001655168965 1195886057 /nfs/dbraw/zinc/88/60/57/1195886057.db2.gz MFDFWFRMYSFERH-INIZCTEOSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1Cl ZINC001655168965 1195886061 /nfs/dbraw/zinc/88/60/61/1195886061.db2.gz MFDFWFRMYSFERH-INIZCTEOSA-N 2 2 310.869 3.095 20 0 DGADLP CSCc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001655226353 1195893824 /nfs/dbraw/zinc/89/38/24/1195893824.db2.gz KCAFLGUUEUHXGG-IYBDPMFKSA-N 2 2 322.518 3.139 20 0 DGADLP CSCc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001655226353 1195893829 /nfs/dbraw/zinc/89/38/29/1195893829.db2.gz KCAFLGUUEUHXGG-IYBDPMFKSA-N 2 2 322.518 3.139 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC001655606236 1195939336 /nfs/dbraw/zinc/93/93/36/1195939336.db2.gz JSUSQZMVVMGZLO-ZDUSSCGKSA-N 2 2 300.878 3.012 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001655724565 1195956700 /nfs/dbraw/zinc/95/67/00/1195956700.db2.gz BGXQFINIQMOJFF-UONOGXRCSA-N 2 2 309.885 3.368 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC001656046734 1195990780 /nfs/dbraw/zinc/99/07/80/1195990780.db2.gz JEECFGKRARNKPE-RTBURBONSA-N 2 2 308.510 3.293 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cn1 ZINC001656104613 1196002315 /nfs/dbraw/zinc/00/23/15/1196002315.db2.gz HSAAFEBCAREPHE-UHFFFAOYSA-N 2 2 318.424 3.354 20 0 DGADLP COCCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC001656706321 1196064201 /nfs/dbraw/zinc/06/42/01/1196064201.db2.gz YQFZLAFTSQYILQ-UHFFFAOYSA-N 2 2 305.447 3.230 20 0 DGADLP C[NH+](C)CCCOc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC001656738742 1196067298 /nfs/dbraw/zinc/06/72/98/1196067298.db2.gz QDCPTBLWOPKGDA-UHFFFAOYSA-N 2 2 324.428 3.277 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CCCOC2)c(C)c1 ZINC001656983119 1196089014 /nfs/dbraw/zinc/08/90/14/1196089014.db2.gz XAQJOLISHRVDRI-MJGOQNOKSA-N 2 2 313.445 3.257 20 0 DGADLP CC(C)c1nc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c2ccccn21 ZINC001657100893 1196105711 /nfs/dbraw/zinc/10/57/11/1196105711.db2.gz HMLSMJLHLQEMCM-OAHLLOKOSA-N 2 2 311.433 3.080 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001657321849 1196129526 /nfs/dbraw/zinc/12/95/26/1196129526.db2.gz ACQWDXXTWSQBJZ-CVEARBPZSA-N 2 2 319.468 3.388 20 0 DGADLP Clc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC001657393385 1196136289 /nfs/dbraw/zinc/13/62/89/1196136289.db2.gz GTJQJKYGTOXLGE-UHFFFAOYSA-N 2 2 318.833 3.315 20 0 DGADLP Cc1noc(C)c1CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001657538996 1196153141 /nfs/dbraw/zinc/15/31/41/1196153141.db2.gz JZDPYZSQJXBWQB-UHFFFAOYSA-N 2 2 316.430 3.261 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC001657818838 1196180676 /nfs/dbraw/zinc/18/06/76/1196180676.db2.gz ZAGHSOUDTAUKJZ-GJZGRUSLSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC001657818838 1196180677 /nfs/dbraw/zinc/18/06/77/1196180677.db2.gz ZAGHSOUDTAUKJZ-GJZGRUSLSA-N 2 2 312.461 3.121 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCCOC(F)F)C[N@@H+]1Cc1ccccc1 ZINC001657894571 1196191572 /nfs/dbraw/zinc/19/15/72/1196191572.db2.gz XOQLMOHNTRWMMZ-ZBFHGGJFSA-N 2 2 312.404 3.258 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCCOC(F)F)C[N@H+]1Cc1ccccc1 ZINC001657894571 1196191573 /nfs/dbraw/zinc/19/15/73/1196191573.db2.gz XOQLMOHNTRWMMZ-ZBFHGGJFSA-N 2 2 312.404 3.258 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C2 ZINC001657917881 1196193430 /nfs/dbraw/zinc/19/34/30/1196193430.db2.gz JBHYVJGDSBOPBV-QGZVFWFLSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C2 ZINC001657917881 1196193433 /nfs/dbraw/zinc/19/34/33/1196193433.db2.gz JBHYVJGDSBOPBV-QGZVFWFLSA-N 2 2 316.489 3.264 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001658274547 1196233639 /nfs/dbraw/zinc/23/36/39/1196233639.db2.gz KXIUFVONRRGTGN-OAHLLOKOSA-N 2 2 315.417 3.458 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348536 1196245568 /nfs/dbraw/zinc/24/55/68/1196245568.db2.gz ZDRNOXJANMOPEP-AEFFLSMTSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348536 1196245573 /nfs/dbraw/zinc/24/55/73/1196245573.db2.gz ZDRNOXJANMOPEP-AEFFLSMTSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348536 1196245579 /nfs/dbraw/zinc/24/55/79/1196245579.db2.gz ZDRNOXJANMOPEP-AEFFLSMTSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348536 1196245582 /nfs/dbraw/zinc/24/55/82/1196245582.db2.gz ZDRNOXJANMOPEP-AEFFLSMTSA-N 2 2 318.509 3.298 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001658440911 1196256508 /nfs/dbraw/zinc/25/65/08/1196256508.db2.gz NFFJXPXQIVOLLL-QRVBRYPASA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001658440911 1196256512 /nfs/dbraw/zinc/25/65/12/1196256512.db2.gz NFFJXPXQIVOLLL-QRVBRYPASA-N 2 2 308.510 3.390 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1ccc(OC)cn1)C1CCCCC1 ZINC001658499105 1196266386 /nfs/dbraw/zinc/26/63/86/1196266386.db2.gz CYSODZRSPRYKFE-UHFFFAOYSA-N 2 2 305.466 3.225 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1ccc(OC)cn1)C1CCCCC1 ZINC001658499105 1196266391 /nfs/dbraw/zinc/26/63/91/1196266391.db2.gz CYSODZRSPRYKFE-UHFFFAOYSA-N 2 2 305.466 3.225 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)c1 ZINC001658932003 1196321367 /nfs/dbraw/zinc/32/13/67/1196321367.db2.gz UUGJELUFCCWCHC-MRXNPFEDSA-N 2 2 317.477 3.429 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC001658931270 1196321460 /nfs/dbraw/zinc/32/14/60/1196321460.db2.gz BZSHSCWFRSKRKX-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC001658931270 1196321467 /nfs/dbraw/zinc/32/14/67/1196321467.db2.gz BZSHSCWFRSKRKX-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c1Cl ZINC001659027567 1196334478 /nfs/dbraw/zinc/33/44/78/1196334478.db2.gz DBXPVSIQBYVGFC-LLVKDONJSA-N 2 2 300.780 3.050 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC)c(O)cc1Cl ZINC001659131953 1196349152 /nfs/dbraw/zinc/34/91/52/1196349152.db2.gz RKWLOFQTJUBUSR-LBPRGKRZSA-N 2 2 314.857 3.264 20 0 DGADLP COC1(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCC1 ZINC001659135708 1196349857 /nfs/dbraw/zinc/34/98/57/1196349857.db2.gz YFVLPSFGZUDXSI-ROUUACIJSA-N 2 2 311.429 3.270 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001659418829 1196381527 /nfs/dbraw/zinc/38/15/27/1196381527.db2.gz OEXAXYLRWUWIAU-LMCOJAPRSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001659418829 1196381531 /nfs/dbraw/zinc/38/15/31/1196381531.db2.gz OEXAXYLRWUWIAU-LMCOJAPRSA-N 2 2 316.489 3.443 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000075734663 1196415439 /nfs/dbraw/zinc/41/54/39/1196415439.db2.gz BUVLXIUOMLLQCB-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CCN1c1cc[nH+]cc1 ZINC001659974591 1196433740 /nfs/dbraw/zinc/43/37/40/1196433740.db2.gz APBGHZSUGJKAML-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CCN1c1cc[nH+]cc1 ZINC001659974591 1196433741 /nfs/dbraw/zinc/43/37/41/1196433741.db2.gz APBGHZSUGJKAML-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP Clc1ccnc(Cl)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001659990761 1196435536 /nfs/dbraw/zinc/43/55/36/1196435536.db2.gz ADKSSXRQUUIVRG-UHFFFAOYSA-N 2 2 307.184 3.326 20 0 DGADLP CCC[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001660494906 1196490875 /nfs/dbraw/zinc/49/08/75/1196490875.db2.gz KQJKCIMJUNZJDY-LJQANCHMSA-N 2 2 302.462 3.283 20 0 DGADLP CCC[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001660494906 1196490886 /nfs/dbraw/zinc/49/08/86/1196490886.db2.gz KQJKCIMJUNZJDY-LJQANCHMSA-N 2 2 302.462 3.283 20 0 DGADLP Cc1ccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001660838899 1196533100 /nfs/dbraw/zinc/53/31/00/1196533100.db2.gz WSXUJNMFTQTLIA-UHFFFAOYSA-N 2 2 313.426 3.411 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001660880213 1196537871 /nfs/dbraw/zinc/53/78/71/1196537871.db2.gz UWKVOSGDQIDYTK-RTBURBONSA-N 2 2 313.445 3.225 20 0 DGADLP OCC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000077451484 1196597193 /nfs/dbraw/zinc/59/71/93/1196597193.db2.gz NYYSCYRXWPSMJH-IBGZPJMESA-N 2 2 321.424 3.128 20 0 DGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(OC)c1 ZINC000079000443 1196846877 /nfs/dbraw/zinc/84/68/77/1196846877.db2.gz FQOLGYIPURYNLW-QGZVFWFLSA-N 2 2 317.433 3.105 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H](C)CC ZINC001663672313 1196925045 /nfs/dbraw/zinc/92/50/45/1196925045.db2.gz NBDOCHMGXAVCCA-AWEZNQCLSA-N 2 2 319.493 3.495 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H](C)CC ZINC001663672313 1196925047 /nfs/dbraw/zinc/92/50/47/1196925047.db2.gz NBDOCHMGXAVCCA-AWEZNQCLSA-N 2 2 319.493 3.495 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CC1 ZINC001663940186 1196959411 /nfs/dbraw/zinc/95/94/11/1196959411.db2.gz NDBWHGQWPINKLI-INIZCTEOSA-N 2 2 318.465 3.206 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CC1 ZINC001663940186 1196959413 /nfs/dbraw/zinc/95/94/13/1196959413.db2.gz NDBWHGQWPINKLI-INIZCTEOSA-N 2 2 318.465 3.206 20 0 DGADLP CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102168 1197098290 /nfs/dbraw/zinc/09/82/90/1197098290.db2.gz NPNPUKHADNBLFG-QZTJIDSGSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102168 1197098294 /nfs/dbraw/zinc/09/82/94/1197098294.db2.gz NPNPUKHADNBLFG-QZTJIDSGSA-N 2 2 308.510 3.390 20 0 DGADLP CC/C=C\CC[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810490 1197200859 /nfs/dbraw/zinc/20/08/59/1197200859.db2.gz WYPPXYKOIRSXJF-YVACAVLKSA-N 2 2 314.433 3.017 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC001665832659 1197204101 /nfs/dbraw/zinc/20/41/01/1197204101.db2.gz YRBLZEMSGOEJBO-WMLDXEAASA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)c(C)c1OC ZINC001665832659 1197204102 /nfs/dbraw/zinc/20/41/02/1197204102.db2.gz YRBLZEMSGOEJBO-WMLDXEAASA-N 2 2 320.477 3.017 20 0 DGADLP CCc1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000084017529 1197457704 /nfs/dbraw/zinc/45/77/04/1197457704.db2.gz KJTFCHDEKFAFIR-UHFFFAOYSA-N 2 2 316.405 3.320 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194842 1197692812 /nfs/dbraw/zinc/69/28/12/1197692812.db2.gz RTJQOKHUSQXVPE-KDOFPFPSSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194842 1197692815 /nfs/dbraw/zinc/69/28/15/1197692815.db2.gz RTJQOKHUSQXVPE-KDOFPFPSSA-N 2 2 315.392 3.042 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000390353978 1197712481 /nfs/dbraw/zinc/71/24/81/1197712481.db2.gz DETUKBGAWZAPMC-HKUYNNGSSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000390353978 1197712483 /nfs/dbraw/zinc/71/24/83/1197712483.db2.gz DETUKBGAWZAPMC-HKUYNNGSSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394404172 1197721038 /nfs/dbraw/zinc/72/10/38/1197721038.db2.gz AVXCMVJXUZQRCG-QGZVFWFLSA-N 2 2 310.441 3.307 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394404172 1197721042 /nfs/dbraw/zinc/72/10/42/1197721042.db2.gz AVXCMVJXUZQRCG-QGZVFWFLSA-N 2 2 310.441 3.307 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000091060663 1198338583 /nfs/dbraw/zinc/33/85/83/1198338583.db2.gz BBABEQYBSSGCMI-GOSISDBHSA-N 2 2 314.477 3.328 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000108427897 1199604555 /nfs/dbraw/zinc/60/45/55/1199604555.db2.gz XHUNTFAVMCOLKL-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000108427897 1199604558 /nfs/dbraw/zinc/60/45/58/1199604558.db2.gz XHUNTFAVMCOLKL-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000304059908 1199611087 /nfs/dbraw/zinc/61/10/87/1199611087.db2.gz OCYTWFMBTPFGOW-IBGZPJMESA-N 2 2 307.397 3.004 20 0 DGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000305176530 1199675683 /nfs/dbraw/zinc/67/56/83/1199675683.db2.gz VJQWEIQISAISCE-QZTJIDSGSA-N 2 2 322.880 3.198 20 0 DGADLP CCn1nccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000119249594 1200048122 /nfs/dbraw/zinc/04/81/22/1200048122.db2.gz VMOHAKBRVZBZPS-MRXNPFEDSA-N 2 2 312.461 3.218 20 0 DGADLP CCn1nccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000119249471 1200049181 /nfs/dbraw/zinc/04/91/81/1200049181.db2.gz VMOHAKBRVZBZPS-INIZCTEOSA-N 2 2 312.461 3.218 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000120065668 1200131120 /nfs/dbraw/zinc/13/11/20/1200131120.db2.gz CFRWXJNLOAGVFX-FXAWDEMLSA-N 2 2 315.505 3.112 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001754318153 1200204250 /nfs/dbraw/zinc/20/42/50/1200204250.db2.gz KGKRLCCDOIIGBJ-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001754318153 1200204254 /nfs/dbraw/zinc/20/42/54/1200204254.db2.gz KGKRLCCDOIIGBJ-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001689817090 1200293496 /nfs/dbraw/zinc/29/34/96/1200293496.db2.gz AZCFZHAUNSAGQG-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001689817090 1200293503 /nfs/dbraw/zinc/29/35/03/1200293503.db2.gz AZCFZHAUNSAGQG-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2OC(C)C)CC1 ZINC000125241749 1200371323 /nfs/dbraw/zinc/37/13/23/1200371323.db2.gz CCCQNRJACJQVQX-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2OC(C)C)CC1 ZINC000125241749 1200371330 /nfs/dbraw/zinc/37/13/30/1200371330.db2.gz CCCQNRJACJQVQX-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001698839068 1201492123 /nfs/dbraw/zinc/49/21/23/1201492123.db2.gz NCYJSRGROVIFEK-HNNXBMFYSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC001752883882 1201993351 /nfs/dbraw/zinc/99/33/51/1201993351.db2.gz MOOABIZUEQOFSS-ZIAGYGMSSA-N 2 2 322.412 3.032 20 0 DGADLP CCC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H](C)CC ZINC001753145497 1202162475 /nfs/dbraw/zinc/16/24/75/1202162475.db2.gz JOJUNWZRCVPBSZ-AWEZNQCLSA-N 2 2 316.449 3.051 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H](C)CC ZINC001753145497 1202162480 /nfs/dbraw/zinc/16/24/80/1202162480.db2.gz JOJUNWZRCVPBSZ-AWEZNQCLSA-N 2 2 316.449 3.051 20 0 DGADLP CC(C)[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001753299921 1202200028 /nfs/dbraw/zinc/20/00/28/1202200028.db2.gz JSVSDHADIGAKPF-GOSISDBHSA-N 2 2 322.412 3.032 20 0 DGADLP Fc1cc(F)cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000159944903 1202606711 /nfs/dbraw/zinc/60/67/11/1202606711.db2.gz HDODDHCJABMBMD-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000236848804 1202629317 /nfs/dbraw/zinc/62/93/17/1202629317.db2.gz BMIHSBHVNHUXNG-UYAOXDASSA-N 2 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000236848804 1202629318 /nfs/dbraw/zinc/62/93/18/1202629318.db2.gz BMIHSBHVNHUXNG-UYAOXDASSA-N 2 2 315.505 3.143 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001725391520 1204144691 /nfs/dbraw/zinc/14/46/91/1204144691.db2.gz AMHQGOATNLNTHU-CQSZACIVSA-N 2 2 317.477 3.295 20 0 DGADLP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731605138 1204479959 /nfs/dbraw/zinc/47/99/59/1204479959.db2.gz AJJKCBPKSBPBDX-KIUWMYQTSA-N 2 2 303.450 3.071 20 0 DGADLP CC/C=C/CC[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731779847 1204551676 /nfs/dbraw/zinc/55/16/76/1204551676.db2.gz MBLVQTRUOAGMPF-BQYQJAHWSA-N 2 2 303.450 3.025 20 0 DGADLP CC/C=C/CC[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731779847 1204551678 /nfs/dbraw/zinc/55/16/78/1204551678.db2.gz MBLVQTRUOAGMPF-BQYQJAHWSA-N 2 2 303.450 3.025 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164619614 719055886 /nfs/dbraw/zinc/05/58/86/719055886.db2.gz CYLDKDFMVKZKMP-IEBWSBKVSA-N 2 2 323.440 3.191 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164619614 719055896 /nfs/dbraw/zinc/05/58/96/719055896.db2.gz CYLDKDFMVKZKMP-IEBWSBKVSA-N 2 2 323.440 3.191 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206771001 1081629129 /nfs/dbraw/zinc/62/91/29/1081629129.db2.gz VONIEGPDCRQEJV-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206771001 1081629131 /nfs/dbraw/zinc/62/91/31/1081629131.db2.gz VONIEGPDCRQEJV-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP CCC/C=C/CC[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266301478 1081647165 /nfs/dbraw/zinc/64/71/65/1081647165.db2.gz RLRJWWYIEICALS-CMDGGOBGSA-N 2 2 317.477 3.415 20 0 DGADLP CCC/C=C/CC[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266301478 1081647167 /nfs/dbraw/zinc/64/71/67/1081647167.db2.gz RLRJWWYIEICALS-CMDGGOBGSA-N 2 2 317.477 3.415 20 0 DGADLP COc1cc(N2CCC(n3cc[nH+]c3)CC2)[nH+]c2ccccc21 ZINC001167125670 1081732475 /nfs/dbraw/zinc/73/24/75/1081732475.db2.gz DHLCNKRRDLRLGF-UHFFFAOYSA-N 2 2 308.385 3.281 20 0 DGADLP CC1(C)CC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC(C)(C)N1O ZINC001169984747 1081782722 /nfs/dbraw/zinc/78/27/22/1081782722.db2.gz SFMGDDYAPQWYJN-INIZCTEOSA-N 2 2 323.525 3.251 20 0 DGADLP CC1(C)CC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC(C)(C)N1O ZINC001169984747 1081782726 /nfs/dbraw/zinc/78/27/26/1081782726.db2.gz SFMGDDYAPQWYJN-INIZCTEOSA-N 2 2 323.525 3.251 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170010662 1081859017 /nfs/dbraw/zinc/85/90/17/1081859017.db2.gz HHRIPDPOQLEQJI-UHFFFAOYSA-N 2 2 311.514 3.202 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170010662 1081859020 /nfs/dbraw/zinc/85/90/20/1081859020.db2.gz HHRIPDPOQLEQJI-UHFFFAOYSA-N 2 2 311.514 3.202 20 0 DGADLP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001266540823 1081974459 /nfs/dbraw/zinc/97/44/59/1081974459.db2.gz LGBXPSORPXMWPD-LXXRFIIISA-N 2 2 315.461 3.167 20 0 DGADLP Fc1c[nH+]ccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170331105 1082347263 /nfs/dbraw/zinc/34/72/63/1082347263.db2.gz LQRHCCFZFVFXJG-OSYLJGHBSA-N 2 2 311.404 3.250 20 0 DGADLP Fc1c[nH+]ccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170331105 1082347270 /nfs/dbraw/zinc/34/72/70/1082347270.db2.gz LQRHCCFZFVFXJG-OSYLJGHBSA-N 2 2 311.404 3.250 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC001167508583 1082465600 /nfs/dbraw/zinc/46/56/00/1082465600.db2.gz HFDXKCBICIHOGB-JZXOWHBKSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC001167508583 1082465602 /nfs/dbraw/zinc/46/56/02/1082465602.db2.gz HFDXKCBICIHOGB-JZXOWHBKSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC001167508583 1082465605 /nfs/dbraw/zinc/46/56/05/1082465605.db2.gz HFDXKCBICIHOGB-JZXOWHBKSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC001167508583 1082465609 /nfs/dbraw/zinc/46/56/09/1082465609.db2.gz HFDXKCBICIHOGB-JZXOWHBKSA-N 2 2 322.493 3.316 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001131560192 1082687658 /nfs/dbraw/zinc/68/76/58/1082687658.db2.gz BDMWASQVKYLKBW-GOSISDBHSA-N 2 2 323.440 3.014 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001131560356 1082688092 /nfs/dbraw/zinc/68/80/92/1082688092.db2.gz KAMHVMCWYSVZTG-CYBMUJFWSA-N 2 2 305.466 3.008 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC001143470752 1083100946 /nfs/dbraw/zinc/10/09/46/1083100946.db2.gz CJTICNZNSFURNZ-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC001143470752 1083100948 /nfs/dbraw/zinc/10/09/48/1083100948.db2.gz CJTICNZNSFURNZ-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001170706241 1083189721 /nfs/dbraw/zinc/18/97/21/1083189721.db2.gz ACPARSBMJCIQTG-HIFRSBDPSA-N 2 2 317.383 3.358 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170707487 1083196335 /nfs/dbraw/zinc/19/63/35/1083196335.db2.gz VIODJMHHGGJKEG-KRWDZBQOSA-N 2 2 320.427 3.381 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170707487 1083196337 /nfs/dbraw/zinc/19/63/37/1083196337.db2.gz VIODJMHHGGJKEG-KRWDZBQOSA-N 2 2 320.427 3.381 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170707488 1083196367 /nfs/dbraw/zinc/19/63/67/1083196367.db2.gz VIODJMHHGGJKEG-QGZVFWFLSA-N 2 2 320.427 3.381 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170707488 1083196368 /nfs/dbraw/zinc/19/63/68/1083196368.db2.gz VIODJMHHGGJKEG-QGZVFWFLSA-N 2 2 320.427 3.381 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000689869279 1083319151 /nfs/dbraw/zinc/31/91/51/1083319151.db2.gz LRVXCTKCQKSAAG-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000689869279 1083319155 /nfs/dbraw/zinc/31/91/55/1083319155.db2.gz LRVXCTKCQKSAAG-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC001180954061 1083376346 /nfs/dbraw/zinc/37/63/46/1083376346.db2.gz TXHXTKUTPPUEMQ-OAHLLOKOSA-N 2 2 312.498 3.208 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167751842 1083627137 /nfs/dbraw/zinc/62/71/37/1083627137.db2.gz OGJICTFEXPIFHD-MRXNPFEDSA-N 2 2 313.449 3.003 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167751842 1083627143 /nfs/dbraw/zinc/62/71/43/1083627143.db2.gz OGJICTFEXPIFHD-MRXNPFEDSA-N 2 2 313.449 3.003 20 0 DGADLP COCC1(CC[NH2+][C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001182533405 1083747808 /nfs/dbraw/zinc/74/78/08/1083747808.db2.gz PJSDZPQBMOWOAJ-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001182533405 1083747815 /nfs/dbraw/zinc/74/78/15/1083747815.db2.gz PJSDZPQBMOWOAJ-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001182917925 1083840681 /nfs/dbraw/zinc/84/06/81/1083840681.db2.gz FJMMARHLIXFVHE-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001182917925 1083840685 /nfs/dbraw/zinc/84/06/85/1083840685.db2.gz FJMMARHLIXFVHE-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167836199 1084162093 /nfs/dbraw/zinc/16/20/93/1084162093.db2.gz XIDYRSFLVMNYSR-HNNXBMFYSA-N 2 2 313.486 3.007 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167836199 1084162100 /nfs/dbraw/zinc/16/21/00/1084162100.db2.gz XIDYRSFLVMNYSR-HNNXBMFYSA-N 2 2 313.486 3.007 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCC2CSC2)C[N@@H+]1Cc1ccccc1 ZINC001184389564 1084169891 /nfs/dbraw/zinc/16/98/91/1084169891.db2.gz YBFJHKNDCZZCQR-YJBOKZPZSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCC2CSC2)C[N@H+]1Cc1ccccc1 ZINC001184389564 1084169896 /nfs/dbraw/zinc/16/98/96/1084169896.db2.gz YBFJHKNDCZZCQR-YJBOKZPZSA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205296663 1084177988 /nfs/dbraw/zinc/17/79/88/1084177988.db2.gz SGTMTPVEOXGTFN-QGZVFWFLSA-N 2 2 312.404 3.455 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205296663 1084177993 /nfs/dbraw/zinc/17/79/93/1084177993.db2.gz SGTMTPVEOXGTFN-QGZVFWFLSA-N 2 2 312.404 3.455 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C2)c(C)[nH+]1 ZINC001184453677 1084187250 /nfs/dbraw/zinc/18/72/50/1084187250.db2.gz MHVVIYXJGCRTME-MRXNPFEDSA-N 2 2 317.477 3.247 20 0 DGADLP CCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184851793 1084269144 /nfs/dbraw/zinc/26/91/44/1084269144.db2.gz QCRVBUPKLSZTOL-YOEHRIQHSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001270460804 1085822969 /nfs/dbraw/zinc/82/29/69/1085822969.db2.gz PKGZGDHZOKHDML-CYBMUJFWSA-N 2 2 317.477 3.153 20 0 DGADLP CCC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC001168014442 1086270292 /nfs/dbraw/zinc/27/02/92/1086270292.db2.gz LGGKGZLLFTZYCY-ALXJQNPVSA-N 2 2 302.462 3.197 20 0 DGADLP CCC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC001168014442 1086270297 /nfs/dbraw/zinc/27/02/97/1086270297.db2.gz LGGKGZLLFTZYCY-ALXJQNPVSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015492 1086296086 /nfs/dbraw/zinc/29/60/86/1086296086.db2.gz QWKGNWGRDKHPAS-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015492 1086296091 /nfs/dbraw/zinc/29/60/91/1086296091.db2.gz QWKGNWGRDKHPAS-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143591805 1086353630 /nfs/dbraw/zinc/35/36/30/1086353630.db2.gz KJCHJHAYYMHVSC-QGZVFWFLSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143591805 1086353644 /nfs/dbraw/zinc/35/36/44/1086353644.db2.gz KJCHJHAYYMHVSC-QGZVFWFLSA-N 2 2 300.377 3.491 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001648961095 1086423213 /nfs/dbraw/zinc/42/32/13/1086423213.db2.gz XMIWXQDDFSTNCC-INIZCTEOSA-N 2 2 314.477 3.439 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001648961095 1086423216 /nfs/dbraw/zinc/42/32/16/1086423216.db2.gz XMIWXQDDFSTNCC-INIZCTEOSA-N 2 2 314.477 3.439 20 0 DGADLP C[C@@H]1CC(N2CCn3c[nH+]cc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064732 1086657368 /nfs/dbraw/zinc/65/73/68/1086657368.db2.gz RQRZEWUDDWCBFA-IAGOWNOFSA-N 2 2 324.472 3.140 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001648986328 1087068962 /nfs/dbraw/zinc/06/89/62/1087068962.db2.gz RSSBGYCTLLRUKR-AWEZNQCLSA-N 2 2 301.409 3.318 20 0 DGADLP COc1ccc2c(c1)C[C@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)C2 ZINC001168258651 1087076195 /nfs/dbraw/zinc/07/61/95/1087076195.db2.gz CCSQIFOUKUAZHJ-GOSISDBHSA-N 2 2 319.408 3.357 20 0 DGADLP FC(F)(F)c1cncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168363012 1087373730 /nfs/dbraw/zinc/37/37/30/1087373730.db2.gz PTDQIJYDZADPIN-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP CSc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158259718 1087747383 /nfs/dbraw/zinc/74/73/83/1087747383.db2.gz ROLIDWJSHZAVCL-BLLLJJGKSA-N 2 2 308.495 3.463 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168447592 1087780437 /nfs/dbraw/zinc/78/04/37/1087780437.db2.gz FHIQMKQODDDEOL-IBGZPJMESA-N 2 2 304.453 3.488 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168447592 1087780449 /nfs/dbraw/zinc/78/04/49/1087780449.db2.gz FHIQMKQODDDEOL-IBGZPJMESA-N 2 2 304.453 3.488 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1cccc(N(C)C)[nH+]1 ZINC001158524193 1087894455 /nfs/dbraw/zinc/89/44/55/1087894455.db2.gz UIOXNWVQCBVICS-IAGOWNOFSA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cccc(N(C)C)[nH+]1 ZINC001158524193 1087894475 /nfs/dbraw/zinc/89/44/75/1087894475.db2.gz UIOXNWVQCBVICS-IAGOWNOFSA-N 2 2 324.472 3.247 20 0 DGADLP Cc1c(F)cc[nH+]c1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159020043 1088143309 /nfs/dbraw/zinc/14/33/09/1088143309.db2.gz PCVLIGVAUOGSLQ-UHFFFAOYSA-N 2 2 311.404 3.171 20 0 DGADLP CC(C)n1c[nH+]c2cc(Nc3cnc4c(c3)C[NH2+]CC4)ccc21 ZINC001159139613 1088201085 /nfs/dbraw/zinc/20/10/85/1088201085.db2.gz XQJAKUBEELJVGK-UHFFFAOYSA-N 2 2 307.401 3.402 20 0 DGADLP CCc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc(C)[nH+]1 ZINC001159546343 1088387725 /nfs/dbraw/zinc/38/77/25/1088387725.db2.gz LOCDAPZYPXPPKI-UHFFFAOYSA-N 2 2 314.477 3.081 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159637639 1088430379 /nfs/dbraw/zinc/43/03/79/1088430379.db2.gz RQULLPIBQVELAL-UHFFFAOYSA-N 2 2 322.456 3.416 20 0 DGADLP Cc1cc[nH+]c2cc(Nc3ccc(N4CC[NH2+]CC4)nc3)ccc12 ZINC001159737213 1088467969 /nfs/dbraw/zinc/46/79/69/1088467969.db2.gz YDVMPQJLGBWZKE-UHFFFAOYSA-N 2 2 319.412 3.091 20 0 DGADLP Cc1c[nH+]cc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c1C ZINC001160183986 1088690318 /nfs/dbraw/zinc/69/03/18/1088690318.db2.gz AMBWYPOBCZVECL-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP CCCc1cc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])nc(C)[nH+]1 ZINC001160666540 1088910703 /nfs/dbraw/zinc/91/07/03/1088910703.db2.gz ZQPWDKNDXSLVSR-HNNXBMFYSA-N 2 2 312.461 3.339 20 0 DGADLP Cc1c(Cl)nc(C(C)C)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063350 1088927642 /nfs/dbraw/zinc/92/76/42/1088927642.db2.gz QDGYUTIJVYPVBL-UHFFFAOYSA-N 2 2 319.840 3.215 20 0 DGADLP Cc1cc2ccccc2c(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)[nH+]1 ZINC001160723366 1088932153 /nfs/dbraw/zinc/93/21/53/1088932153.db2.gz FZDIIHJHNWCISS-ZWKOTPCHSA-N 2 2 311.429 3.208 20 0 DGADLP c1ccc2cc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)[nH+]cc2c1 ZINC001155377679 1089086450 /nfs/dbraw/zinc/08/64/50/1089086450.db2.gz HQFYAUGRRZYPSG-KRWDZBQOSA-N 2 2 311.429 3.196 20 0 DGADLP CCC(CC)[NH+]1CCC(Nc2nc(NC3CC3)c(C)c[nH+]2)CC1 ZINC001161095448 1089112549 /nfs/dbraw/zinc/11/25/49/1089112549.db2.gz XHBKITQAGBYZFC-UHFFFAOYSA-N 2 2 317.481 3.424 20 0 DGADLP c1cc2n(c1)C[C@@H](CCNc1cc3ccccc3c[nH+]1)C[NH2+]C2 ZINC001155453900 1089119221 /nfs/dbraw/zinc/11/92/21/1089119221.db2.gz QKGCQPUBDHBEFY-HNNXBMFYSA-N 2 2 306.413 3.258 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592150 1089177514 /nfs/dbraw/zinc/17/75/14/1089177514.db2.gz MLARBIMICWSPLJ-BEFAXECRSA-N 2 2 311.429 3.114 20 0 DGADLP Cc1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]c2ccccc12 ZINC001155599243 1089181326 /nfs/dbraw/zinc/18/13/26/1089181326.db2.gz SBGAXBFLFNMFLR-KXBFYZLASA-N 2 2 311.429 3.114 20 0 DGADLP Cc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]c2ccccc12 ZINC001155826209 1089260201 /nfs/dbraw/zinc/26/02/01/1089260201.db2.gz CQUUJEIBKWLPCL-PKOBYXMFSA-N 2 2 311.429 3.256 20 0 DGADLP COCCC1(CNc2[nH+]c3ccccc3cc2C)CC[NH2+]CC1 ZINC001161497423 1089264192 /nfs/dbraw/zinc/26/41/92/1089264192.db2.gz OYOPBSHVXJHFHS-UHFFFAOYSA-N 2 2 313.445 3.361 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(CO)cc2)C2CCCC2)CC1 ZINC001203195717 1089458647 /nfs/dbraw/zinc/45/86/47/1089458647.db2.gz LHWQHSQNTNNFCS-UHFFFAOYSA-N 2 2 302.462 3.018 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(CO)cc2)C2CCCC2)CC1 ZINC001203195717 1089458653 /nfs/dbraw/zinc/45/86/53/1089458653.db2.gz LHWQHSQNTNNFCS-UHFFFAOYSA-N 2 2 302.462 3.018 20 0 DGADLP C[NH+]1CCN(c2cccc(NCC(C)(C)CC3CC3)[nH+]2)CC1 ZINC001162125738 1089558097 /nfs/dbraw/zinc/55/80/97/1089558097.db2.gz SVLZKMOJKFJFKR-UHFFFAOYSA-N 2 2 302.466 3.072 20 0 DGADLP Cc1c(F)cc[nH+]c1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162197637 1089603108 /nfs/dbraw/zinc/60/31/08/1089603108.db2.gz RUWBFVAOYKGBGX-WKILWMFISA-N 2 2 314.408 3.201 20 0 DGADLP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)nc1NC(C)C ZINC001156928987 1089754333 /nfs/dbraw/zinc/75/43/33/1089754333.db2.gz RESDZGOARICRDM-HNNXBMFYSA-N 2 2 305.470 3.282 20 0 DGADLP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)nc1NC(C)C ZINC001156928987 1089754343 /nfs/dbraw/zinc/75/43/43/1089754343.db2.gz RESDZGOARICRDM-HNNXBMFYSA-N 2 2 305.470 3.282 20 0 DGADLP C[NH+]1CCN(c2ccc([NH2+]C[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC001162649552 1089856805 /nfs/dbraw/zinc/85/68/05/1089856805.db2.gz JLUKWHJICMQLSA-AWEZNQCLSA-N 2 2 309.404 3.286 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC[C@@H]3CCC(F)(F)C3)c2)C1 ZINC001162655036 1089861375 /nfs/dbraw/zinc/86/13/75/1089861375.db2.gz HEAPSXMCLZJACX-HUUCEWRRSA-N 2 2 309.404 3.067 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC[C@@H]3CCC(F)(F)C3)c2)C1 ZINC001162655036 1089861386 /nfs/dbraw/zinc/86/13/86/1089861386.db2.gz HEAPSXMCLZJACX-HUUCEWRRSA-N 2 2 309.404 3.067 20 0 DGADLP CC(C)COc1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc[nH+]1 ZINC001162814683 1089970177 /nfs/dbraw/zinc/97/01/77/1089970177.db2.gz BFXJITSRKIJDFN-UHFFFAOYSA-N 2 2 311.429 3.374 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001157700346 1090082201 /nfs/dbraw/zinc/08/22/01/1090082201.db2.gz QALSYJZKAREJDM-KBPBESRZSA-N 2 2 307.869 3.244 20 0 DGADLP COc1cc2ccc(NCC(C)(C)C[NH+](C)C)[nH+]c2cc1OC ZINC001157944756 1090154970 /nfs/dbraw/zinc/15/49/70/1090154970.db2.gz QOZHUAKPWRQPPV-UHFFFAOYSA-N 2 2 317.433 3.252 20 0 DGADLP Cc1ccc(C(C)(C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001157979865 1090162775 /nfs/dbraw/zinc/16/27/75/1090162775.db2.gz PSZHSDSCSOXDLC-UHFFFAOYSA-N 2 2 310.445 3.147 20 0 DGADLP Cc1nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])cc(C2CCCCC2)[nH+]1 ZINC001164072720 1090333967 /nfs/dbraw/zinc/33/39/67/1090333967.db2.gz BTTUOJMQZODTBE-XJKSGUPXSA-N 2 2 302.466 3.396 20 0 DGADLP Cc1nc2c(cccc2NCC2([NH+](C)C)CC[NH+](C)CC2)s1 ZINC001164213369 1090373633 /nfs/dbraw/zinc/37/36/33/1090373633.db2.gz UAETWFXGINDKKP-UHFFFAOYSA-N 2 2 318.490 3.043 20 0 DGADLP Cc1c[nH+]c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC001165083104 1090461839 /nfs/dbraw/zinc/46/18/39/1090461839.db2.gz VQOUZRXWNULXAN-RTBURBONSA-N 2 2 307.441 3.409 20 0 DGADLP Cc1c[nH+]c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC001165083104 1090461842 /nfs/dbraw/zinc/46/18/42/1090461842.db2.gz VQOUZRXWNULXAN-RTBURBONSA-N 2 2 307.441 3.409 20 0 DGADLP CCc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc(C)[nH+]1 ZINC001165091304 1090464458 /nfs/dbraw/zinc/46/44/58/1090464458.db2.gz ZQBGCTUKXUEXPX-MSOLQXFVSA-N 2 2 322.456 3.058 20 0 DGADLP CCc1nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc(C)[nH+]1 ZINC001165091304 1090464462 /nfs/dbraw/zinc/46/44/62/1090464462.db2.gz ZQBGCTUKXUEXPX-MSOLQXFVSA-N 2 2 322.456 3.058 20 0 DGADLP Cc1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC001165323386 1090504093 /nfs/dbraw/zinc/50/40/93/1090504093.db2.gz PRCVKPNNUQXGPD-MRXNPFEDSA-N 2 2 300.450 3.021 20 0 DGADLP COc1ccc2cc[nH+]c(N3CCCCC34CC[NH2+]CC4)c2c1 ZINC001165338643 1090508457 /nfs/dbraw/zinc/50/84/57/1090508457.db2.gz GGZKDVIZPAFGMV-UHFFFAOYSA-N 2 2 311.429 3.356 20 0 DGADLP Cc1[nH+]c2c(n1-c1ccc3ccc(Cl)cc3n1)CC[NH2+]CC2 ZINC001165355823 1090509896 /nfs/dbraw/zinc/50/98/96/1090509896.db2.gz ZWPTVYHTPUMPAV-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP Cc1cccc2c(C)cc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)[nH+]c12 ZINC001165427224 1090520774 /nfs/dbraw/zinc/52/07/74/1090520774.db2.gz MODWJSHAFCAFSX-GOEBONIOSA-N 2 2 313.420 3.365 20 0 DGADLP Cc1cccc2c(C)cc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)[nH+]c12 ZINC001165427225 1090520826 /nfs/dbraw/zinc/52/08/26/1090520826.db2.gz MODWJSHAFCAFSX-HOCLYGCPSA-N 2 2 313.420 3.365 20 0 DGADLP [NH3+]C1([C@H]2CN(c3[nH+]ccc4cc(Cl)ccc43)C[C@H]2CF)CC1 ZINC001165434539 1090521534 /nfs/dbraw/zinc/52/15/34/1090521534.db2.gz ZSQORQVIKWYZII-DOMZBBRYSA-N 2 2 319.811 3.401 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531841 1090627367 /nfs/dbraw/zinc/62/73/67/1090627367.db2.gz JWQJJQKBHDIDLC-UXHICEINSA-N 3 2 315.505 3.113 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@H]3CCNc4ccccc43)c2)C1 ZINC001168649232 1090667996 /nfs/dbraw/zinc/66/79/96/1090667996.db2.gz MSWWLNBIBURACV-UZLBHIALSA-N 2 2 322.456 3.188 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCNc4ccccc43)c2)C1 ZINC001168649232 1090668001 /nfs/dbraw/zinc/66/80/01/1090668001.db2.gz MSWWLNBIBURACV-UZLBHIALSA-N 2 2 322.456 3.188 20 0 DGADLP CC[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272919880 1090684871 /nfs/dbraw/zinc/68/48/71/1090684871.db2.gz DKDPSFLYVDLXSV-OCCSQVGLSA-N 2 2 305.466 3.151 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CC3(C)COC3)C2)C1 ZINC001276415341 1090775575 /nfs/dbraw/zinc/77/55/75/1090775575.db2.gz IGKTXVZOKWTDSS-QGZVFWFLSA-N 2 2 308.510 3.247 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CC3(C)COC3)C2)C1 ZINC001276415341 1090775581 /nfs/dbraw/zinc/77/55/81/1090775581.db2.gz IGKTXVZOKWTDSS-QGZVFWFLSA-N 2 2 308.510 3.247 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(C)c1 ZINC001203731776 1090791547 /nfs/dbraw/zinc/79/15/47/1090791547.db2.gz MLPJCWCEEWFUTO-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP CC(C)C[C@@H](C(=O)N(CC[N@H+](C)C(C)C)C(C)C)n1cc[nH+]c1 ZINC001486368812 1090810394 /nfs/dbraw/zinc/81/03/94/1090810394.db2.gz CRBRTVRSCPADAU-KRWDZBQOSA-N 2 2 322.497 3.048 20 0 DGADLP CC(C)C[C@@H](C(=O)N(CC[N@@H+](C)C(C)C)C(C)C)n1cc[nH+]c1 ZINC001486368812 1090810401 /nfs/dbraw/zinc/81/04/01/1090810401.db2.gz CRBRTVRSCPADAU-KRWDZBQOSA-N 2 2 322.497 3.048 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c2ccccc12 ZINC001203996906 1090862926 /nfs/dbraw/zinc/86/29/26/1090862926.db2.gz JVMVLJINGFLJDQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c2ccccc12 ZINC001203996906 1090862932 /nfs/dbraw/zinc/86/29/32/1090862932.db2.gz JVMVLJINGFLJDQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c2ccccc12 ZINC001203996906 1090862939 /nfs/dbraw/zinc/86/29/39/1090862939.db2.gz JVMVLJINGFLJDQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c2ccccc12 ZINC001203996906 1090862942 /nfs/dbraw/zinc/86/29/42/1090862942.db2.gz JVMVLJINGFLJDQ-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204061809 1090887310 /nfs/dbraw/zinc/88/73/10/1090887310.db2.gz AHWFZHISKLXYFQ-MOPGFXCFSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204061809 1090887317 /nfs/dbraw/zinc/88/73/17/1090887317.db2.gz AHWFZHISKLXYFQ-MOPGFXCFSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204061809 1090887323 /nfs/dbraw/zinc/88/73/23/1090887323.db2.gz AHWFZHISKLXYFQ-MOPGFXCFSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)CC[C@@H]3C2)cc1 ZINC001204061809 1090887335 /nfs/dbraw/zinc/88/73/35/1090887335.db2.gz AHWFZHISKLXYFQ-MOPGFXCFSA-N 2 2 307.441 3.036 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204175762 1090913871 /nfs/dbraw/zinc/91/38/71/1090913871.db2.gz JLXOKYHIARKYNM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204175762 1090913876 /nfs/dbraw/zinc/91/38/76/1090913876.db2.gz JLXOKYHIARKYNM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204175762 1090913879 /nfs/dbraw/zinc/91/38/79/1090913879.db2.gz JLXOKYHIARKYNM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204175762 1090913883 /nfs/dbraw/zinc/91/38/83/1090913883.db2.gz JLXOKYHIARKYNM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC001204230836 1090929095 /nfs/dbraw/zinc/92/90/95/1090929095.db2.gz ZQLZXEFFYLZDNI-UHFFFAOYSA-N 2 2 317.383 3.407 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001204354910 1090954956 /nfs/dbraw/zinc/95/49/56/1090954956.db2.gz SAKFRYOXJFQZTA-FQEVSTJZSA-N 2 2 316.489 3.379 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001204354910 1090954959 /nfs/dbraw/zinc/95/49/59/1090954959.db2.gz SAKFRYOXJFQZTA-FQEVSTJZSA-N 2 2 316.489 3.379 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001168707338 1090965083 /nfs/dbraw/zinc/96/50/83/1090965083.db2.gz LJXFALSKVNTHCF-HOTGVXAUSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001168707338 1090965085 /nfs/dbraw/zinc/96/50/85/1090965085.db2.gz LJXFALSKVNTHCF-HOTGVXAUSA-N 2 2 304.865 3.271 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001204475659 1090978310 /nfs/dbraw/zinc/97/83/10/1090978310.db2.gz ILFNWSZHJNZZGY-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001204475659 1090978313 /nfs/dbraw/zinc/97/83/13/1090978313.db2.gz ILFNWSZHJNZZGY-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)ccc21 ZINC001204904736 1091060104 /nfs/dbraw/zinc/06/01/04/1091060104.db2.gz YKFRXYMJBLAFQI-LJQANCHMSA-N 2 2 305.425 3.255 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)ccc21 ZINC001204904736 1091060111 /nfs/dbraw/zinc/06/01/11/1091060111.db2.gz YKFRXYMJBLAFQI-LJQANCHMSA-N 2 2 305.425 3.255 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001204925288 1091063712 /nfs/dbraw/zinc/06/37/12/1091063712.db2.gz OYZIFXQRFLFZGS-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001204925288 1091063719 /nfs/dbraw/zinc/06/37/19/1091063719.db2.gz OYZIFXQRFLFZGS-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c2c(OC)cccc12 ZINC001204938479 1091067638 /nfs/dbraw/zinc/06/76/38/1091067638.db2.gz LTGLLEOZAHRVOP-IBGZPJMESA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c2c(OC)cccc12 ZINC001204938479 1091067645 /nfs/dbraw/zinc/06/76/45/1091067645.db2.gz LTGLLEOZAHRVOP-IBGZPJMESA-N 2 2 314.429 3.170 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205076142 1091095274 /nfs/dbraw/zinc/09/52/74/1091095274.db2.gz PJWOKYRKOYUSTK-AAEUAGOBSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205076142 1091095278 /nfs/dbraw/zinc/09/52/78/1091095278.db2.gz PJWOKYRKOYUSTK-AAEUAGOBSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1C ZINC001205076908 1091096634 /nfs/dbraw/zinc/09/66/34/1091096634.db2.gz ZYDZHWYIDCSYQQ-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001205124215 1091108183 /nfs/dbraw/zinc/10/81/83/1091108183.db2.gz LPTLGCGCAUNFBD-CQSZACIVSA-N 2 2 305.422 3.262 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001205124215 1091108186 /nfs/dbraw/zinc/10/81/86/1091108186.db2.gz LPTLGCGCAUNFBD-CQSZACIVSA-N 2 2 305.422 3.262 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc3occ(Br)c3c2)C[C@H]1C[NH3+] ZINC001205156179 1091114850 /nfs/dbraw/zinc/11/48/50/1091114850.db2.gz PZVZJQSKPVIBKO-CMPLNLGQSA-N 2 2 323.234 3.222 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc3occ(Br)c3c2)C[C@H]1C[NH3+] ZINC001205156179 1091114852 /nfs/dbraw/zinc/11/48/52/1091114852.db2.gz PZVZJQSKPVIBKO-CMPLNLGQSA-N 2 2 323.234 3.222 20 0 DGADLP CC[N@H+](Cc1cccc(OC(C)(C)C)n1)C1CC[NH+](C)CC1 ZINC001138282143 1091130642 /nfs/dbraw/zinc/13/06/42/1091130642.db2.gz CUVXRQDNYGGQEC-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C1CC[NH+](C)CC1 ZINC001138282143 1091130645 /nfs/dbraw/zinc/13/06/45/1091130645.db2.gz CUVXRQDNYGGQEC-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138375397 1091157196 /nfs/dbraw/zinc/15/71/96/1091157196.db2.gz LAAABVORYPDNST-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138375397 1091157203 /nfs/dbraw/zinc/15/72/03/1091157203.db2.gz LAAABVORYPDNST-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)no2)cc1 ZINC001205266678 1091157429 /nfs/dbraw/zinc/15/74/29/1091157429.db2.gz VZIDZXBCMUAYGK-GOSISDBHSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)no2)cc1 ZINC001205266678 1091157437 /nfs/dbraw/zinc/15/74/37/1091157437.db2.gz VZIDZXBCMUAYGK-GOSISDBHSA-N 2 2 315.417 3.054 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC001205325122 1091185106 /nfs/dbraw/zinc/18/51/06/1091185106.db2.gz JMAYLPIBZXNWTJ-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC001205325122 1091185112 /nfs/dbraw/zinc/18/51/12/1091185112.db2.gz JMAYLPIBZXNWTJ-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001205324855 1091185561 /nfs/dbraw/zinc/18/55/61/1091185561.db2.gz HEQXLJXXSGLKFD-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001205324855 1091185563 /nfs/dbraw/zinc/18/55/63/1091185563.db2.gz HEQXLJXXSGLKFD-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205324769 1091185659 /nfs/dbraw/zinc/18/56/59/1091185659.db2.gz GLYPWSUSIKTANP-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205324769 1091185661 /nfs/dbraw/zinc/18/56/61/1091185661.db2.gz GLYPWSUSIKTANP-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001138489119 1091201699 /nfs/dbraw/zinc/20/16/99/1091201699.db2.gz NPXNYLVEJWOORV-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3cccnc3C2)cc1 ZINC001138548516 1091225404 /nfs/dbraw/zinc/22/54/04/1091225404.db2.gz GINCAMVHMRSGEF-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3cccnc3C2)cc1 ZINC001138548516 1091225414 /nfs/dbraw/zinc/22/54/14/1091225414.db2.gz GINCAMVHMRSGEF-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001138570953 1091236106 /nfs/dbraw/zinc/23/61/06/1091236106.db2.gz QAIAWPWRLQUHOK-SFHVURJKSA-N 2 2 322.518 3.440 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001138570953 1091236116 /nfs/dbraw/zinc/23/61/16/1091236116.db2.gz QAIAWPWRLQUHOK-SFHVURJKSA-N 2 2 322.518 3.440 20 0 DGADLP Cc1cn2cc(-c3ccc(CC[NH+]4CCOCC4)cc3)ccc2[nH+]1 ZINC001205655136 1091298249 /nfs/dbraw/zinc/29/82/49/1091298249.db2.gz RKNXSOLIZFMIDT-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnc(Br)c1 ZINC001138735897 1091309002 /nfs/dbraw/zinc/30/90/02/1091309002.db2.gz ZECBDCCTFHODCD-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc(Br)c1 ZINC001138735897 1091309011 /nfs/dbraw/zinc/30/90/11/1091309011.db2.gz ZECBDCCTFHODCD-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccsc3)nc2)CCC1(F)F ZINC001205771815 1091340998 /nfs/dbraw/zinc/34/09/98/1091340998.db2.gz WLDTUTNSRQTRJM-AWEZNQCLSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)nc2)CCC1(F)F ZINC001205771815 1091341009 /nfs/dbraw/zinc/34/10/09/1091341009.db2.gz WLDTUTNSRQTRJM-AWEZNQCLSA-N 2 2 323.412 3.226 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001138836984 1091352386 /nfs/dbraw/zinc/35/23/86/1091352386.db2.gz VLNNUZQPEJJJFB-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001138836984 1091352399 /nfs/dbraw/zinc/35/23/99/1091352399.db2.gz VLNNUZQPEJJJFB-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912919 1091408114 /nfs/dbraw/zinc/40/81/14/1091408114.db2.gz DXGZYILCOJYEGU-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912919 1091408116 /nfs/dbraw/zinc/40/81/16/1091408116.db2.gz DXGZYILCOJYEGU-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001139103128 1091450172 /nfs/dbraw/zinc/45/01/72/1091450172.db2.gz XFFSDZZDIPRABZ-UHFFFAOYSA-N 2 2 304.482 3.255 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001139103128 1091450178 /nfs/dbraw/zinc/45/01/78/1091450178.db2.gz XFFSDZZDIPRABZ-UHFFFAOYSA-N 2 2 304.482 3.255 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@H]1F ZINC001206163653 1091516895 /nfs/dbraw/zinc/51/68/95/1091516895.db2.gz DMKZCYVPBYJCCV-DGCLKSJQSA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@H]1F ZINC001206163653 1091516902 /nfs/dbraw/zinc/51/69/02/1091516902.db2.gz DMKZCYVPBYJCCV-DGCLKSJQSA-N 2 2 308.294 3.106 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206167517 1091518168 /nfs/dbraw/zinc/51/81/68/1091518168.db2.gz ZQUBJTGYGOPCMM-LSDHHAIUSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206167517 1091518173 /nfs/dbraw/zinc/51/81/73/1091518173.db2.gz ZQUBJTGYGOPCMM-LSDHHAIUSA-N 2 2 321.827 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)CC[C@@H]1F ZINC001206201313 1091533074 /nfs/dbraw/zinc/53/30/74/1091533074.db2.gz WURPWJLSFMISJN-UONOGXRCSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)CC[C@@H]1F ZINC001206201313 1091533080 /nfs/dbraw/zinc/53/30/80/1091533080.db2.gz WURPWJLSFMISJN-UONOGXRCSA-N 2 2 307.800 3.149 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](COCC4CC4)C3)cc2)c[nH+]1 ZINC001139360636 1091533658 /nfs/dbraw/zinc/53/36/58/1091533658.db2.gz AHTLJPZJLBEKSB-GOSISDBHSA-N 2 2 311.429 3.121 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](COCC4CC4)C3)cc2)c[nH+]1 ZINC001139360636 1091533661 /nfs/dbraw/zinc/53/36/61/1091533661.db2.gz AHTLJPZJLBEKSB-GOSISDBHSA-N 2 2 311.429 3.121 20 0 DGADLP COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358833 1091534229 /nfs/dbraw/zinc/53/42/29/1091534229.db2.gz UBRINYOWAJCTBO-MJGOQNOKSA-N 2 2 311.429 3.121 20 0 DGADLP COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358833 1091534235 /nfs/dbraw/zinc/53/42/35/1091534235.db2.gz UBRINYOWAJCTBO-MJGOQNOKSA-N 2 2 311.429 3.121 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001206326136 1091581632 /nfs/dbraw/zinc/58/16/32/1091581632.db2.gz KOAIHBVXLPGFBI-HNNXBMFYSA-N 2 2 300.805 3.136 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001206326136 1091581634 /nfs/dbraw/zinc/58/16/34/1091581634.db2.gz KOAIHBVXLPGFBI-HNNXBMFYSA-N 2 2 300.805 3.136 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001206351792 1091590864 /nfs/dbraw/zinc/59/08/64/1091590864.db2.gz IHISPSNXHUPBLA-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001206351792 1091590873 /nfs/dbraw/zinc/59/08/73/1091590873.db2.gz IHISPSNXHUPBLA-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206372193 1091602876 /nfs/dbraw/zinc/60/28/76/1091602876.db2.gz XMEHLNDXRGBJCA-SFHVURJKSA-N 2 2 302.393 3.198 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206372193 1091602883 /nfs/dbraw/zinc/60/28/83/1091602883.db2.gz XMEHLNDXRGBJCA-SFHVURJKSA-N 2 2 302.393 3.198 20 0 DGADLP CCOc1ccncc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001139628787 1091628678 /nfs/dbraw/zinc/62/86/78/1091628678.db2.gz HHEYXYOPRFHBJT-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccncc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001139628787 1091628686 /nfs/dbraw/zinc/62/86/86/1091628686.db2.gz HHEYXYOPRFHBJT-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccncc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001139628787 1091628692 /nfs/dbraw/zinc/62/86/92/1091628692.db2.gz HHEYXYOPRFHBJT-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccncc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001139628787 1091628698 /nfs/dbraw/zinc/62/86/98/1091628698.db2.gz HHEYXYOPRFHBJT-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c(C)cc(O)cc2C)C1 ZINC001139716999 1091651203 /nfs/dbraw/zinc/65/12/03/1091651203.db2.gz NWPIYLHCXWCIPD-KRWDZBQOSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c(C)cc(O)cc2C)C1 ZINC001139716999 1091651206 /nfs/dbraw/zinc/65/12/06/1091651206.db2.gz NWPIYLHCXWCIPD-KRWDZBQOSA-N 2 2 312.413 3.366 20 0 DGADLP CC(C)Oc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)cn1 ZINC001206606391 1091687200 /nfs/dbraw/zinc/68/72/00/1091687200.db2.gz MOLLGSLYEKXNLV-INIZCTEOSA-N 2 2 323.456 3.360 20 0 DGADLP CC(C)Oc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)cn1 ZINC001206606391 1091687204 /nfs/dbraw/zinc/68/72/04/1091687204.db2.gz MOLLGSLYEKXNLV-INIZCTEOSA-N 2 2 323.456 3.360 20 0 DGADLP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640965 1091696448 /nfs/dbraw/zinc/69/64/48/1091696448.db2.gz QEGARPYMWQBDQG-ZDUSSCGKSA-N 2 2 324.852 3.078 20 0 DGADLP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640965 1091696456 /nfs/dbraw/zinc/69/64/56/1091696456.db2.gz QEGARPYMWQBDQG-ZDUSSCGKSA-N 2 2 324.852 3.078 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001139931293 1091715577 /nfs/dbraw/zinc/71/55/77/1091715577.db2.gz PJPYZIWQPDZHBA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001139931293 1091715585 /nfs/dbraw/zinc/71/55/85/1091715585.db2.gz PJPYZIWQPDZHBA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001139931293 1091715592 /nfs/dbraw/zinc/71/55/92/1091715592.db2.gz PJPYZIWQPDZHBA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001139931293 1091715600 /nfs/dbraw/zinc/71/56/00/1091715600.db2.gz PJPYZIWQPDZHBA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140021543 1091740489 /nfs/dbraw/zinc/74/04/89/1091740489.db2.gz NSYNIQCGYGMHMM-VQIMIIECSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140021543 1091740496 /nfs/dbraw/zinc/74/04/96/1091740496.db2.gz NSYNIQCGYGMHMM-VQIMIIECSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001140021960 1091740643 /nfs/dbraw/zinc/74/06/43/1091740643.db2.gz VMWWAOIIIPEFNY-CABCVRRESA-N 2 2 303.356 3.268 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001140021960 1091740651 /nfs/dbraw/zinc/74/06/51/1091740651.db2.gz VMWWAOIIIPEFNY-CABCVRRESA-N 2 2 303.356 3.268 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC001140023571 1091742460 /nfs/dbraw/zinc/74/24/60/1091742460.db2.gz RFTOKXVZIQPDTL-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC001140023571 1091742467 /nfs/dbraw/zinc/74/24/67/1091742467.db2.gz RFTOKXVZIQPDTL-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ccncc2C1 ZINC001140028532 1091744410 /nfs/dbraw/zinc/74/44/10/1091744410.db2.gz WBCXFOIVOPHHCO-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ccncc2C1 ZINC001140028532 1091744415 /nfs/dbraw/zinc/74/44/15/1091744415.db2.gz WBCXFOIVOPHHCO-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC(c2cccnc2)C1 ZINC001140026452 1091744429 /nfs/dbraw/zinc/74/44/29/1091744429.db2.gz LIQHIKIZGGHLJR-UHFFFAOYSA-N 2 2 304.397 3.175 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173637 1091790538 /nfs/dbraw/zinc/79/05/38/1091790538.db2.gz DXHDIGDVZJLVQW-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173637 1091790545 /nfs/dbraw/zinc/79/05/45/1091790545.db2.gz DXHDIGDVZJLVQW-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173637 1091790555 /nfs/dbraw/zinc/79/05/55/1091790555.db2.gz DXHDIGDVZJLVQW-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173637 1091790563 /nfs/dbraw/zinc/79/05/63/1091790563.db2.gz DXHDIGDVZJLVQW-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319314 1091823737 /nfs/dbraw/zinc/82/37/37/1091823737.db2.gz WSPJKIGTZJOLIL-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319314 1091823739 /nfs/dbraw/zinc/82/37/39/1091823739.db2.gz WSPJKIGTZJOLIL-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319314 1091823743 /nfs/dbraw/zinc/82/37/43/1091823743.db2.gz WSPJKIGTZJOLIL-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319314 1091823747 /nfs/dbraw/zinc/82/37/47/1091823747.db2.gz WSPJKIGTZJOLIL-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP Cc1ccc2n[nH]c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)c2c1 ZINC001140331331 1091828456 /nfs/dbraw/zinc/82/84/56/1091828456.db2.gz FIEMROOFYCJIMO-HNNXBMFYSA-N 2 2 322.412 3.228 20 0 DGADLP Cc1ccc2n[nH]c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)c2c1 ZINC001140331331 1091828465 /nfs/dbraw/zinc/82/84/65/1091828465.db2.gz FIEMROOFYCJIMO-HNNXBMFYSA-N 2 2 322.412 3.228 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140336483 1091831294 /nfs/dbraw/zinc/83/12/94/1091831294.db2.gz GNIDAWMDROCWLY-SJLPKXTDSA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140336483 1091831303 /nfs/dbraw/zinc/83/13/03/1091831303.db2.gz GNIDAWMDROCWLY-SJLPKXTDSA-N 2 2 313.470 3.194 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001276513659 1091877126 /nfs/dbraw/zinc/87/71/26/1091877126.db2.gz PDNBPZHGUTXSHR-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001276513659 1091877133 /nfs/dbraw/zinc/87/71/33/1091877133.db2.gz PDNBPZHGUTXSHR-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001276513659 1091877146 /nfs/dbraw/zinc/87/71/46/1091877146.db2.gz PDNBPZHGUTXSHR-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001276513659 1091877158 /nfs/dbraw/zinc/87/71/58/1091877158.db2.gz PDNBPZHGUTXSHR-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1OCC1CC1 ZINC001140487286 1091883454 /nfs/dbraw/zinc/88/34/54/1091883454.db2.gz MSDYWEZDKJBTIH-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1OCC1CC1 ZINC001140487286 1091883461 /nfs/dbraw/zinc/88/34/61/1091883461.db2.gz MSDYWEZDKJBTIH-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196987 1091885012 /nfs/dbraw/zinc/88/50/12/1091885012.db2.gz NWYKQHRYPNVIJA-CYGHRXIMSA-N 2 2 304.865 3.470 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196987 1091885017 /nfs/dbraw/zinc/88/50/17/1091885017.db2.gz NWYKQHRYPNVIJA-CYGHRXIMSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196987 1091885024 /nfs/dbraw/zinc/88/50/24/1091885024.db2.gz NWYKQHRYPNVIJA-CYGHRXIMSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196987 1091885028 /nfs/dbraw/zinc/88/50/28/1091885028.db2.gz NWYKQHRYPNVIJA-CYGHRXIMSA-N 2 2 304.865 3.470 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](CCC4CCCCC4)C[C@@H]3C2)nc1 ZINC001207259691 1091903155 /nfs/dbraw/zinc/90/31/55/1091903155.db2.gz OKKFHBLRJALAEE-RTBURBONSA-N 2 2 313.489 3.416 20 0 DGADLP COc1cccc(CC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001207431869 1091966875 /nfs/dbraw/zinc/96/68/75/1091966875.db2.gz WGMHUYMOZODCCF-UHFFFAOYSA-N 2 2 320.452 3.136 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc[nH]c2)Cc2ccc(F)cc2)CC1 ZINC001140710394 1091968663 /nfs/dbraw/zinc/96/86/63/1091968663.db2.gz HLXWASKGNMYJMP-UHFFFAOYSA-N 2 2 301.409 3.250 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc[nH]c2)Cc2ccc(F)cc2)CC1 ZINC001140710394 1091968669 /nfs/dbraw/zinc/96/86/69/1091968669.db2.gz HLXWASKGNMYJMP-UHFFFAOYSA-N 2 2 301.409 3.250 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140720679 1091973604 /nfs/dbraw/zinc/97/36/04/1091973604.db2.gz XMKPNCQDTTUQDI-OAHLLOKOSA-N 2 2 317.820 3.279 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140720679 1091973609 /nfs/dbraw/zinc/97/36/09/1091973609.db2.gz XMKPNCQDTTUQDI-OAHLLOKOSA-N 2 2 317.820 3.279 20 0 DGADLP C[NH+]1CCC(CC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001207487868 1091984065 /nfs/dbraw/zinc/98/40/65/1091984065.db2.gz WEHPPVCVOJTMSG-GOSISDBHSA-N 2 2 324.415 3.070 20 0 DGADLP C[NH+]1CCC(CC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001207487868 1091984068 /nfs/dbraw/zinc/98/40/68/1091984068.db2.gz WEHPPVCVOJTMSG-GOSISDBHSA-N 2 2 324.415 3.070 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001140806312 1092010902 /nfs/dbraw/zinc/01/09/02/1092010902.db2.gz FHTOLROFRJECQT-UHFFFAOYSA-N 2 2 318.424 3.023 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001140806312 1092010913 /nfs/dbraw/zinc/01/09/13/1092010913.db2.gz FHTOLROFRJECQT-UHFFFAOYSA-N 2 2 318.424 3.023 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140882088 1092047560 /nfs/dbraw/zinc/04/75/60/1092047560.db2.gz PHPHZMQIMUOJTB-UHFFFAOYSA-N 2 2 308.319 3.108 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140882088 1092047569 /nfs/dbraw/zinc/04/75/69/1092047569.db2.gz PHPHZMQIMUOJTB-UHFFFAOYSA-N 2 2 308.319 3.108 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083449825 1092094724 /nfs/dbraw/zinc/09/47/24/1092094724.db2.gz AHSDTJCUXILDAC-NSHDSACASA-N 2 2 304.444 3.246 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC001207825088 1092109729 /nfs/dbraw/zinc/10/97/29/1092109729.db2.gz UDBPWIWFGKMNMD-HOTGVXAUSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1 ZINC001207825088 1092109732 /nfs/dbraw/zinc/10/97/32/1092109732.db2.gz UDBPWIWFGKMNMD-HOTGVXAUSA-N 2 2 305.466 3.387 20 0 DGADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001141033591 1092113386 /nfs/dbraw/zinc/11/33/86/1092113386.db2.gz XDGLONCUHDESMZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001141033591 1092113392 /nfs/dbraw/zinc/11/33/92/1092113392.db2.gz XDGLONCUHDESMZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccncc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001141033591 1092113396 /nfs/dbraw/zinc/11/33/96/1092113396.db2.gz XDGLONCUHDESMZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccncc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001141033591 1092113402 /nfs/dbraw/zinc/11/34/02/1092113402.db2.gz XDGLONCUHDESMZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CCCCc1[nH]c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c[nH+]1 ZINC001141071352 1092128715 /nfs/dbraw/zinc/12/87/15/1092128715.db2.gz LCQVPVILHYDBDG-UHFFFAOYSA-N 3 2 304.482 3.060 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141185158 1092164570 /nfs/dbraw/zinc/16/45/70/1092164570.db2.gz YTMSRULYBQAJFG-YLJYHZDGSA-N 2 2 314.473 3.174 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141185158 1092164573 /nfs/dbraw/zinc/16/45/73/1092164573.db2.gz YTMSRULYBQAJFG-YLJYHZDGSA-N 2 2 314.473 3.174 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141204989 1092175650 /nfs/dbraw/zinc/17/56/50/1092175650.db2.gz QXUBZJXDPZHULG-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141204989 1092175656 /nfs/dbraw/zinc/17/56/56/1092175656.db2.gz QXUBZJXDPZHULG-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP C[N@H+](CCOc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141241028 1092190396 /nfs/dbraw/zinc/19/03/96/1092190396.db2.gz BEENSPFECUFGPZ-UHFFFAOYSA-N 2 2 307.397 3.383 20 0 DGADLP C[N@@H+](CCOc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141241028 1092190401 /nfs/dbraw/zinc/19/04/01/1092190401.db2.gz BEENSPFECUFGPZ-UHFFFAOYSA-N 2 2 307.397 3.383 20 0 DGADLP COCC[N@H+](Cc1ccc(Cl)c(C)c1)C1CC[NH+](C)CC1 ZINC001141238558 1092190416 /nfs/dbraw/zinc/19/04/16/1092190416.db2.gz ZOZVFKDRNSOZBR-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP COCC[N@@H+](Cc1ccc(Cl)c(C)c1)C1CC[NH+](C)CC1 ZINC001141238558 1092190419 /nfs/dbraw/zinc/19/04/19/1092190419.db2.gz ZOZVFKDRNSOZBR-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP CS[C@H](C)CC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001208141477 1092215654 /nfs/dbraw/zinc/21/56/54/1092215654.db2.gz JVMHSRHDFWZYRL-CQSZACIVSA-N 2 2 324.538 3.025 20 0 DGADLP CS[C@H](C)CC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001208141477 1092215668 /nfs/dbraw/zinc/21/56/68/1092215668.db2.gz JVMHSRHDFWZYRL-CQSZACIVSA-N 2 2 324.538 3.025 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC(C)=C[C@H]3C)CC2)c1 ZINC001208166873 1092233120 /nfs/dbraw/zinc/23/31/20/1092233120.db2.gz CRDKDWYTPSDTFH-SJORKVTESA-N 2 2 315.461 3.205 20 0 DGADLP C[NH+](C)CC1(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)CCCC1 ZINC001208188476 1092252607 /nfs/dbraw/zinc/25/26/07/1092252607.db2.gz ZKLSUPXXEWZFGS-LJQANCHMSA-N 2 2 316.489 3.052 20 0 DGADLP C[NH+](C)CC1(C[N@H+]2CCOC[C@H]2Cc2ccccc2)CCCC1 ZINC001208188476 1092252616 /nfs/dbraw/zinc/25/26/16/1092252616.db2.gz ZKLSUPXXEWZFGS-LJQANCHMSA-N 2 2 316.489 3.052 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590628 1092286113 /nfs/dbraw/zinc/28/61/13/1092286113.db2.gz HQJHPMGXNGRCEL-SJCJKPOMSA-N 2 2 303.837 3.347 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590628 1092286122 /nfs/dbraw/zinc/28/61/22/1092286122.db2.gz HQJHPMGXNGRCEL-SJCJKPOMSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590628 1092286134 /nfs/dbraw/zinc/28/61/34/1092286134.db2.gz HQJHPMGXNGRCEL-SJCJKPOMSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590628 1092286149 /nfs/dbraw/zinc/28/61/49/1092286149.db2.gz HQJHPMGXNGRCEL-SJCJKPOMSA-N 2 2 303.837 3.347 20 0 DGADLP [NH3+]Cc1ccc2ncn(-c3cc4c5c(c3)CCC[NH+]5CCC4)c2c1 ZINC001168848249 1092408230 /nfs/dbraw/zinc/40/82/30/1092408230.db2.gz RWGQGTFUZSZLCO-UHFFFAOYSA-N 2 2 318.424 3.183 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001208602130 1092422433 /nfs/dbraw/zinc/42/24/33/1092422433.db2.gz YPQCMXGFKHRWCK-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001208602130 1092422439 /nfs/dbraw/zinc/42/24/39/1092422439.db2.gz YPQCMXGFKHRWCK-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613169 1092428373 /nfs/dbraw/zinc/42/83/73/1092428373.db2.gz QRBFWNFMEXQZGJ-RHSMWYFYSA-N 2 2 308.466 3.257 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613169 1092428382 /nfs/dbraw/zinc/42/83/82/1092428382.db2.gz QRBFWNFMEXQZGJ-RHSMWYFYSA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613169 1092428396 /nfs/dbraw/zinc/42/83/96/1092428396.db2.gz QRBFWNFMEXQZGJ-RHSMWYFYSA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613169 1092428406 /nfs/dbraw/zinc/42/84/06/1092428406.db2.gz QRBFWNFMEXQZGJ-RHSMWYFYSA-N 2 2 308.466 3.257 20 0 DGADLP CCCc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001142364029 1092471589 /nfs/dbraw/zinc/47/15/89/1092471589.db2.gz AYFUNVINTBRZRG-UHFFFAOYSA-N 2 2 304.478 3.182 20 0 DGADLP CCCc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001142364029 1092471598 /nfs/dbraw/zinc/47/15/98/1092471598.db2.gz AYFUNVINTBRZRG-UHFFFAOYSA-N 2 2 304.478 3.182 20 0 DGADLP Cc1[nH+]ccc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c1F ZINC001168999282 1092480638 /nfs/dbraw/zinc/48/06/38/1092480638.db2.gz IYRYIQHVQHJOQW-UHFFFAOYSA-N 2 2 318.783 3.413 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001169102173 1092533667 /nfs/dbraw/zinc/53/36/67/1092533667.db2.gz XWRGNVYEIYDNND-CNDDSTCGSA-N 2 2 300.233 3.103 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001169102173 1092533678 /nfs/dbraw/zinc/53/36/78/1092533678.db2.gz XWRGNVYEIYDNND-CNDDSTCGSA-N 2 2 300.233 3.103 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccccc3)CC1)C2 ZINC001169125605 1092544167 /nfs/dbraw/zinc/54/41/67/1092544167.db2.gz JSMMBFXRMZWLHA-BWTSREIZSA-N 2 2 312.457 3.207 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccccc3)CC1)C2 ZINC001169125605 1092544173 /nfs/dbraw/zinc/54/41/73/1092544173.db2.gz JSMMBFXRMZWLHA-BWTSREIZSA-N 2 2 312.457 3.207 20 0 DGADLP CC1(C)C[C@@H](Nc2[nH+]cnc3[nH]cc(F)c32)C[C@](C)(C[NH3+])C1 ZINC001169135644 1092548691 /nfs/dbraw/zinc/54/86/91/1092548691.db2.gz CHOPOFMCRUXIFZ-HWPZZCPQSA-N 2 2 305.401 3.053 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cn1 ZINC001169108948 1092554312 /nfs/dbraw/zinc/55/43/12/1092554312.db2.gz WVMYYVFEKZBZOF-ZRJCITRHSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC001169108948 1092554323 /nfs/dbraw/zinc/55/43/23/1092554323.db2.gz WVMYYVFEKZBZOF-ZRJCITRHSA-N 2 2 324.266 3.120 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596771 1092566335 /nfs/dbraw/zinc/56/63/35/1092566335.db2.gz AHJMFQKEFAAKOP-IBGZPJMESA-N 2 2 301.478 3.297 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596771 1092566342 /nfs/dbraw/zinc/56/63/42/1092566342.db2.gz AHJMFQKEFAAKOP-IBGZPJMESA-N 2 2 301.478 3.297 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596771 1092566351 /nfs/dbraw/zinc/56/63/51/1092566351.db2.gz AHJMFQKEFAAKOP-IBGZPJMESA-N 2 2 301.478 3.297 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596771 1092566363 /nfs/dbraw/zinc/56/63/63/1092566363.db2.gz AHJMFQKEFAAKOP-IBGZPJMESA-N 2 2 301.478 3.297 20 0 DGADLP C[C@H]([NH3+])c1ccn(-c2cc[nH+]c3ccc(C(F)(F)F)cc32)n1 ZINC001169233049 1092604283 /nfs/dbraw/zinc/60/42/83/1092604283.db2.gz MYSUZUNNTOWTBR-VIFPVBQESA-N 2 2 306.291 3.459 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945605 1092606743 /nfs/dbraw/zinc/60/67/43/1092606743.db2.gz RXCOQYFNLAOEAT-ICSRJNTNSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945605 1092606747 /nfs/dbraw/zinc/60/67/47/1092606747.db2.gz RXCOQYFNLAOEAT-ICSRJNTNSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945605 1092606749 /nfs/dbraw/zinc/60/67/49/1092606749.db2.gz RXCOQYFNLAOEAT-ICSRJNTNSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945605 1092606753 /nfs/dbraw/zinc/60/67/53/1092606753.db2.gz RXCOQYFNLAOEAT-ICSRJNTNSA-N 2 2 314.473 3.009 20 0 DGADLP c1cn2cc(CN3CCC[N@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001143028712 1092607819 /nfs/dbraw/zinc/60/78/19/1092607819.db2.gz HUHSLKXKNKERPI-UHFFFAOYSA-N 2 2 320.440 3.042 20 0 DGADLP c1cn2cc(CN3CCC[N@@H+](Cc4ccccc4)CC3)ccc2[nH+]1 ZINC001143028712 1092607823 /nfs/dbraw/zinc/60/78/23/1092607823.db2.gz HUHSLKXKNKERPI-UHFFFAOYSA-N 2 2 320.440 3.042 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119811 1092660329 /nfs/dbraw/zinc/66/03/29/1092660329.db2.gz VPGJPTOAENVGBT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119811 1092660336 /nfs/dbraw/zinc/66/03/36/1092660336.db2.gz VPGJPTOAENVGBT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119811 1092660345 /nfs/dbraw/zinc/66/03/45/1092660345.db2.gz VPGJPTOAENVGBT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119811 1092660352 /nfs/dbraw/zinc/66/03/52/1092660352.db2.gz VPGJPTOAENVGBT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206633084 1092766521 /nfs/dbraw/zinc/76/65/21/1092766521.db2.gz SPDYQNUSPPYOMW-LBPRGKRZSA-N 2 2 314.832 3.439 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206633084 1092766525 /nfs/dbraw/zinc/76/65/25/1092766525.db2.gz SPDYQNUSPPYOMW-LBPRGKRZSA-N 2 2 314.832 3.439 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276661529 1092865496 /nfs/dbraw/zinc/86/54/96/1092865496.db2.gz VWSMOUGZZPVFDX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276661529 1092865498 /nfs/dbraw/zinc/86/54/98/1092865498.db2.gz VWSMOUGZZPVFDX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(OC)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276661529 1092865500 /nfs/dbraw/zinc/86/55/00/1092865500.db2.gz VWSMOUGZZPVFDX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(OC)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276661529 1092865503 /nfs/dbraw/zinc/86/55/03/1092865503.db2.gz VWSMOUGZZPVFDX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP C[NH+]1CCN(c2ncccc2Nc2cccc3cc[nH+]cc32)CC1 ZINC001210224239 1093083933 /nfs/dbraw/zinc/08/39/33/1093083933.db2.gz UPLFNVFOKFPTKP-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc3cc[nH+]cc32)CC1 ZINC001210225819 1093084993 /nfs/dbraw/zinc/08/49/93/1093084993.db2.gz KNZNOFSPNVTAMV-UHFFFAOYSA-N 3 2 319.412 3.125 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)CCO1 ZINC001210401458 1093156442 /nfs/dbraw/zinc/15/64/42/1093156442.db2.gz ZCBCAELVNOYYKN-AWEZNQCLSA-N 2 2 312.438 3.214 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c4ccccc4sc32)CCO1 ZINC001210401458 1093156447 /nfs/dbraw/zinc/15/64/47/1093156447.db2.gz ZCBCAELVNOYYKN-AWEZNQCLSA-N 2 2 312.438 3.214 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC[NH2+]1 ZINC001210518665 1093195754 /nfs/dbraw/zinc/19/57/54/1093195754.db2.gz HTTGDVBLJSQKOG-OAHLLOKOSA-N 2 2 312.413 3.368 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC[NH2+]1 ZINC001210518665 1093195759 /nfs/dbraw/zinc/19/57/59/1093195759.db2.gz HTTGDVBLJSQKOG-OAHLLOKOSA-N 2 2 312.413 3.368 20 0 DGADLP CCn1c2ccccc2c2cc(C[NH+]3CC(C[NH2+]C)C3)ccc21 ZINC001210561814 1093211054 /nfs/dbraw/zinc/21/10/54/1093211054.db2.gz UMIPJRJPTHASEG-UHFFFAOYSA-N 2 2 307.441 3.466 20 0 DGADLP Cc1[nH]c2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2[nH+]1 ZINC001213074114 1093509414 /nfs/dbraw/zinc/50/94/14/1093509414.db2.gz DJRLADAXHACKAQ-UHFFFAOYSA-N 2 2 322.412 3.447 20 0 DGADLP CCCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215189562 1093935924 /nfs/dbraw/zinc/93/59/24/1093935924.db2.gz ACXAUMWWOJAULH-RHSMWYFYSA-N 2 2 317.477 3.247 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190276 1093935947 /nfs/dbraw/zinc/93/59/47/1093935947.db2.gz UBSUMKAIKSGGRY-SUYBPPKGSA-N 2 2 317.477 3.103 20 0 DGADLP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001120031199 1094356092 /nfs/dbraw/zinc/35/60/92/1094356092.db2.gz ODVDJLSHULRTQZ-FHERZECASA-N 2 2 310.482 3.103 20 0 DGADLP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043618 1094372599 /nfs/dbraw/zinc/37/25/99/1094372599.db2.gz KLUGUPWFUDCIEP-UKRRQHHQSA-N 2 2 305.466 3.293 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044252 1094377869 /nfs/dbraw/zinc/37/78/69/1094377869.db2.gz REJQNHQDXSSFPJ-GDBMZVCRSA-N 2 2 317.477 3.460 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001086764155 1094664621 /nfs/dbraw/zinc/66/46/21/1094664621.db2.gz YBEGMRZASKSTPO-DLBZAZTESA-N 2 2 317.477 3.151 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)F)cc1F ZINC001276790057 1094834658 /nfs/dbraw/zinc/83/46/58/1094834658.db2.gz VWRKJICHNWWHAK-YHWZYXNKSA-N 2 2 314.351 3.142 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)cc1F ZINC001276790057 1094834668 /nfs/dbraw/zinc/83/46/68/1094834668.db2.gz VWRKJICHNWWHAK-YHWZYXNKSA-N 2 2 314.351 3.142 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(NCC[C@@H](C)[NH3+])ccc21 ZINC001170894062 1094895657 /nfs/dbraw/zinc/89/56/57/1094895657.db2.gz GNIXTRWECDFUHU-CYBMUJFWSA-N 2 2 310.401 3.183 20 0 DGADLP CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC001219009807 1094926909 /nfs/dbraw/zinc/92/69/09/1094926909.db2.gz ORXXOAGZXFGAGN-MRXNPFEDSA-N 2 2 318.465 3.202 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000310828992 1094943117 /nfs/dbraw/zinc/94/31/17/1094943117.db2.gz FRPZYJAGYCYZIS-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000310828992 1094943110 /nfs/dbraw/zinc/94/31/10/1094943110.db2.gz FRPZYJAGYCYZIS-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171031858 1095163039 /nfs/dbraw/zinc/16/30/39/1095163039.db2.gz YLHKUYAPUMGLBG-CABCVRRESA-N 2 2 304.865 3.414 20 0 DGADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171031858 1095163049 /nfs/dbraw/zinc/16/30/49/1095163049.db2.gz YLHKUYAPUMGLBG-CABCVRRESA-N 2 2 304.865 3.414 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cn3ccccc3n2)C2CCCC2)CC1 ZINC001136884088 1095217648 /nfs/dbraw/zinc/21/76/48/1095217648.db2.gz UIDQAQKYJFFGAP-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cn3ccccc3n2)C2CCCC2)CC1 ZINC001136884088 1095217658 /nfs/dbraw/zinc/21/76/58/1095217658.db2.gz UIDQAQKYJFFGAP-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1cccn2c(CN(C)CC[N@H+](C)Cc3ccccc3)c[nH+]c12 ZINC001136966013 1095257245 /nfs/dbraw/zinc/25/72/45/1095257245.db2.gz JONNXSJGSWQFGH-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Cc1cccn2c(CN(C)CC[N@@H+](C)Cc3ccccc3)c[nH+]c12 ZINC001136966013 1095257256 /nfs/dbraw/zinc/25/72/56/1095257256.db2.gz JONNXSJGSWQFGH-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141734 1095453881 /nfs/dbraw/zinc/45/38/81/1095453881.db2.gz RMIODRWRJYEVMT-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141734 1095453886 /nfs/dbraw/zinc/45/38/86/1095453886.db2.gz RMIODRWRJYEVMT-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150600 1095470086 /nfs/dbraw/zinc/47/00/86/1095470086.db2.gz SUVZMJVKRXGFQA-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150600 1095470092 /nfs/dbraw/zinc/47/00/92/1095470092.db2.gz SUVZMJVKRXGFQA-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP Cc1cnc(F)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172708 1095478948 /nfs/dbraw/zinc/47/89/48/1095478948.db2.gz NDUFYQNKNPOUHT-SFHVURJKSA-N 2 2 305.441 3.275 20 0 DGADLP Cc1cnc(F)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172708 1095478953 /nfs/dbraw/zinc/47/89/53/1095478953.db2.gz NDUFYQNKNPOUHT-SFHVURJKSA-N 2 2 305.441 3.275 20 0 DGADLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138868 1095508881 /nfs/dbraw/zinc/50/88/81/1095508881.db2.gz GCZIGZLMVLHSSU-GFCCVEGCSA-N 2 2 310.228 3.421 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272063 1095523189 /nfs/dbraw/zinc/52/31/89/1095523189.db2.gz MPBKPORPSZSIAD-FQEVSTJZSA-N 2 2 324.472 3.053 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272063 1095523198 /nfs/dbraw/zinc/52/31/98/1095523198.db2.gz MPBKPORPSZSIAD-FQEVSTJZSA-N 2 2 324.472 3.053 20 0 DGADLP Fc1cc2ncccc2cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271238 1095523262 /nfs/dbraw/zinc/52/32/62/1095523262.db2.gz DJFMGUFCWLOJSG-IBGZPJMESA-N 2 2 313.420 3.340 20 0 DGADLP Fc1cc2ncccc2cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271238 1095523267 /nfs/dbraw/zinc/52/32/67/1095523267.db2.gz DJFMGUFCWLOJSG-IBGZPJMESA-N 2 2 313.420 3.340 20 0 DGADLP COc1c(F)c(C)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001222317272 1095548456 /nfs/dbraw/zinc/54/84/56/1095548456.db2.gz ZTXQIHBYEAQXKQ-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP COc1c(F)c(C)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001222317272 1095548465 /nfs/dbraw/zinc/54/84/65/1095548465.db2.gz ZTXQIHBYEAQXKQ-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP CCOc1ncc(Cl)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321489 1095550316 /nfs/dbraw/zinc/55/03/16/1095550316.db2.gz XMKMCGHRKFWXHR-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1ncc(Cl)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321489 1095550325 /nfs/dbraw/zinc/55/03/25/1095550325.db2.gz XMKMCGHRKFWXHR-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH]1 ZINC001116440345 1095551856 /nfs/dbraw/zinc/55/18/56/1095551856.db2.gz QTNMKCVCKGROOR-QGZVFWFLSA-N 2 2 310.445 3.390 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH]1 ZINC001116440345 1095551865 /nfs/dbraw/zinc/55/18/65/1095551865.db2.gz QTNMKCVCKGROOR-QGZVFWFLSA-N 2 2 310.445 3.390 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)cn1 ZINC001222325891 1095552726 /nfs/dbraw/zinc/55/27/26/1095552726.db2.gz KRSOLESZWGTBJD-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(Cl)cn1 ZINC001222325891 1095552734 /nfs/dbraw/zinc/55/27/34/1095552734.db2.gz KRSOLESZWGTBJD-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1N(C)C)Cn1cc[nH+]c1 ZINC001116453290 1095558909 /nfs/dbraw/zinc/55/89/09/1095558909.db2.gz YMSISXFKHYMYGY-CYBMUJFWSA-N 2 2 306.841 3.028 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222369659 1095577581 /nfs/dbraw/zinc/57/75/81/1095577581.db2.gz ZWBSSIIVHMIWRJ-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222369659 1095577590 /nfs/dbraw/zinc/57/75/90/1095577590.db2.gz ZWBSSIIVHMIWRJ-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP c1nc2cccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2s1 ZINC001222394748 1095591336 /nfs/dbraw/zinc/59/13/36/1095591336.db2.gz AFQFQWPKZQOMIK-KRWDZBQOSA-N 2 2 301.459 3.404 20 0 DGADLP c1nc2cccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2s1 ZINC001222394748 1095591346 /nfs/dbraw/zinc/59/13/46/1095591346.db2.gz AFQFQWPKZQOMIK-KRWDZBQOSA-N 2 2 301.459 3.404 20 0 DGADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccn4cc[nH+]c34)c2c1 ZINC001171163964 1095616071 /nfs/dbraw/zinc/61/60/71/1095616071.db2.gz FFSSYVDRERZBLP-AWEZNQCLSA-N 2 2 304.397 3.476 20 0 DGADLP CC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001144386207 1095638029 /nfs/dbraw/zinc/63/80/29/1095638029.db2.gz VJVYFBRGDSGVSL-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001144386207 1095638035 /nfs/dbraw/zinc/63/80/35/1095638035.db2.gz VJVYFBRGDSGVSL-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP Fc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222596504 1095681868 /nfs/dbraw/zinc/68/18/68/1095681868.db2.gz XRTKCTCCBYXLTC-INIZCTEOSA-N 2 2 314.379 3.154 20 0 DGADLP Fc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222596504 1095681873 /nfs/dbraw/zinc/68/18/73/1095681873.db2.gz XRTKCTCCBYXLTC-INIZCTEOSA-N 2 2 314.379 3.154 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620676 1095698427 /nfs/dbraw/zinc/69/84/27/1095698427.db2.gz XFSBBLYLBSRJGY-XJKSGUPXSA-N 2 2 308.853 3.311 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620676 1095698433 /nfs/dbraw/zinc/69/84/33/1095698433.db2.gz XFSBBLYLBSRJGY-XJKSGUPXSA-N 2 2 308.853 3.311 20 0 DGADLP CC[C@@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]1 ZINC001118057697 1095927697 /nfs/dbraw/zinc/92/76/97/1095927697.db2.gz GHNNBRBMYCCVIH-CVEARBPZSA-N 2 2 301.459 3.430 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001118308017 1095980771 /nfs/dbraw/zinc/98/07/71/1095980771.db2.gz RTXYTUCNNHYLDS-INIZCTEOSA-N 2 2 309.457 3.364 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001118308017 1095980780 /nfs/dbraw/zinc/98/07/80/1095980780.db2.gz RTXYTUCNNHYLDS-INIZCTEOSA-N 2 2 309.457 3.364 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001118308018 1095980984 /nfs/dbraw/zinc/98/09/84/1095980984.db2.gz RTXYTUCNNHYLDS-MRXNPFEDSA-N 2 2 309.457 3.364 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001118308018 1095980992 /nfs/dbraw/zinc/98/09/92/1095980992.db2.gz RTXYTUCNNHYLDS-MRXNPFEDSA-N 2 2 309.457 3.364 20 0 DGADLP CC[NH+](CC)c1ccc(-n2c(N)[nH+]c3ccc(OC)cc32)cc1 ZINC000321164696 1096077783 /nfs/dbraw/zinc/07/77/83/1096077783.db2.gz OAFZCJVBSBAANH-UHFFFAOYSA-N 2 2 310.401 3.463 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171285565 1096106551 /nfs/dbraw/zinc/10/65/51/1096106551.db2.gz SUBBUGBOJCAPAK-CYBMUJFWSA-N 2 2 310.869 3.137 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171285567 1096106719 /nfs/dbraw/zinc/10/67/19/1096106719.db2.gz SUBBUGBOJCAPAK-ZDUSSCGKSA-N 2 2 310.869 3.137 20 0 DGADLP CCCc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)s1 ZINC001119517244 1096218289 /nfs/dbraw/zinc/21/82/89/1096218289.db2.gz PXBJEMGQVWTEOE-UHFFFAOYSA-N 2 2 322.518 3.434 20 0 DGADLP COc1ccc2[nH+]ccc(-n3c(CC[NH3+])cc4ccccc43)c2n1 ZINC001171304727 1096224430 /nfs/dbraw/zinc/22/44/30/1096224430.db2.gz LVUOCNANSIYHDB-UHFFFAOYSA-N 2 2 318.380 3.084 20 0 DGADLP [NH3+]CCc1cc2ccccc2n1-c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001171304694 1096224465 /nfs/dbraw/zinc/22/44/65/1096224465.db2.gz VYROKQZPNPTVCR-UHFFFAOYSA-N 2 2 320.371 3.457 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277122666 1096672110 /nfs/dbraw/zinc/67/21/10/1096672110.db2.gz QJFKLWNLVHLMFQ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277122666 1096672111 /nfs/dbraw/zinc/67/21/11/1096672111.db2.gz QJFKLWNLVHLMFQ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(OC)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277122666 1096672114 /nfs/dbraw/zinc/67/21/14/1096672114.db2.gz QJFKLWNLVHLMFQ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(OC)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277122666 1096672117 /nfs/dbraw/zinc/67/21/17/1096672117.db2.gz QJFKLWNLVHLMFQ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226786056 1096777583 /nfs/dbraw/zinc/77/75/83/1096777583.db2.gz UYSYKKWRXZLSCM-UHFFFAOYSA-N 2 2 314.351 3.303 20 0 DGADLP CCOc1cc(C)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277165338 1096811708 /nfs/dbraw/zinc/81/17/08/1096811708.db2.gz WVKKKAYPVLFCSM-LJQANCHMSA-N 2 2 302.462 3.311 20 0 DGADLP CCOc1cc(C)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277165338 1096811717 /nfs/dbraw/zinc/81/17/17/1096811717.db2.gz WVKKKAYPVLFCSM-LJQANCHMSA-N 2 2 302.462 3.311 20 0 DGADLP CCOc1cc(C)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277165338 1096811725 /nfs/dbraw/zinc/81/17/25/1096811725.db2.gz WVKKKAYPVLFCSM-LJQANCHMSA-N 2 2 302.462 3.311 20 0 DGADLP CCOc1cc(C)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277165338 1096811731 /nfs/dbraw/zinc/81/17/31/1096811731.db2.gz WVKKKAYPVLFCSM-LJQANCHMSA-N 2 2 302.462 3.311 20 0 DGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505907 1096913323 /nfs/dbraw/zinc/91/33/23/1096913323.db2.gz OEZOSEJTSGOCSM-YPMHNXCESA-N 2 2 312.379 3.035 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1(C)C ZINC001171628633 1096930225 /nfs/dbraw/zinc/93/02/25/1096930225.db2.gz DOLZZPPJQITSEK-JKSUJKDBSA-N 2 2 306.494 3.471 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1(C)C ZINC001171628633 1096930229 /nfs/dbraw/zinc/93/02/29/1096930229.db2.gz DOLZZPPJQITSEK-JKSUJKDBSA-N 2 2 306.494 3.471 20 0 DGADLP CC1(C)C[C@@H](n2c[nH+]cc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171964758 1097006176 /nfs/dbraw/zinc/00/61/76/1097006176.db2.gz MXYSBVOAHWKBQL-KRWDZBQOSA-N 3 2 312.461 3.000 20 0 DGADLP CC1(C)C[C@@H](n2c[nH+]cc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171964758 1097006181 /nfs/dbraw/zinc/00/61/81/1097006181.db2.gz MXYSBVOAHWKBQL-KRWDZBQOSA-N 3 2 312.461 3.000 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171964099 1097006221 /nfs/dbraw/zinc/00/62/21/1097006221.db2.gz KNBVHXUOPQSUHZ-SFHVURJKSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171964099 1097006226 /nfs/dbraw/zinc/00/62/26/1097006226.db2.gz KNBVHXUOPQSUHZ-SFHVURJKSA-N 2 2 324.472 3.318 20 0 DGADLP C[N@H+](Cc1ccncn1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991526 1097016501 /nfs/dbraw/zinc/01/65/01/1097016501.db2.gz ZNHFZBPOMOSBSS-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP C[N@@H+](Cc1ccncn1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991526 1097016506 /nfs/dbraw/zinc/01/65/06/1097016506.db2.gz ZNHFZBPOMOSBSS-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1ccncn1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991526 1097016513 /nfs/dbraw/zinc/01/65/13/1097016513.db2.gz ZNHFZBPOMOSBSS-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1ccncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991526 1097016517 /nfs/dbraw/zinc/01/65/17/1097016517.db2.gz ZNHFZBPOMOSBSS-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001171969444 1097018681 /nfs/dbraw/zinc/01/86/81/1097018681.db2.gz JYERUVVJMLLXSS-GFCCVEGCSA-N 2 2 311.351 3.202 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccncn2)CC[N@@H+]1Cc1ccccc1 ZINC001171970553 1097020478 /nfs/dbraw/zinc/02/04/78/1097020478.db2.gz CZPKANAOZUHCAJ-KRWDZBQOSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC001171970553 1097020482 /nfs/dbraw/zinc/02/04/82/1097020482.db2.gz CZPKANAOZUHCAJ-KRWDZBQOSA-N 2 2 310.445 3.009 20 0 DGADLP CC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987580 1097030495 /nfs/dbraw/zinc/03/04/95/1097030495.db2.gz XWPNKVGCKSYOGN-RTBURBONSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987580 1097030501 /nfs/dbraw/zinc/03/05/01/1097030501.db2.gz XWPNKVGCKSYOGN-RTBURBONSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987580 1097030508 /nfs/dbraw/zinc/03/05/08/1097030508.db2.gz XWPNKVGCKSYOGN-RTBURBONSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987580 1097030515 /nfs/dbraw/zinc/03/05/15/1097030515.db2.gz XWPNKVGCKSYOGN-RTBURBONSA-N 2 2 314.473 3.341 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126667 1097048004 /nfs/dbraw/zinc/04/80/04/1097048004.db2.gz XWZFDIMKHOFSSD-YYIAUSFCSA-N 2 2 322.493 3.198 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126667 1097048009 /nfs/dbraw/zinc/04/80/09/1097048009.db2.gz XWZFDIMKHOFSSD-YYIAUSFCSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126667 1097048015 /nfs/dbraw/zinc/04/80/15/1097048015.db2.gz XWZFDIMKHOFSSD-YYIAUSFCSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126667 1097048021 /nfs/dbraw/zinc/04/80/21/1097048021.db2.gz XWZFDIMKHOFSSD-YYIAUSFCSA-N 2 2 322.493 3.198 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC001172104581 1097052512 /nfs/dbraw/zinc/05/25/12/1097052512.db2.gz DBVZLKHLRZFMMI-XGWQRUHWSA-N 2 2 311.429 3.447 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC001172104581 1097052518 /nfs/dbraw/zinc/05/25/18/1097052518.db2.gz DBVZLKHLRZFMMI-XGWQRUHWSA-N 2 2 311.429 3.447 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172113723 1097061713 /nfs/dbraw/zinc/06/17/13/1097061713.db2.gz JLXVDUQPIYTYMX-BCDXTJNWSA-N 3 2 307.526 3.102 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172113723 1097061719 /nfs/dbraw/zinc/06/17/19/1097061719.db2.gz JLXVDUQPIYTYMX-BCDXTJNWSA-N 3 2 307.526 3.102 20 0 DGADLP Cc1[nH]c2ccc(OC3CCN(c4cc[nH+]cc4)CC3)cc2[nH+]1 ZINC001228325557 1097098362 /nfs/dbraw/zinc/09/83/62/1097098362.db2.gz ATPAXGIUXXRPNN-UHFFFAOYSA-N 2 2 308.385 3.314 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172290124 1097105528 /nfs/dbraw/zinc/10/55/28/1097105528.db2.gz AJKPRNWPVCUQJB-QGZVFWFLSA-N 2 2 320.452 3.289 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172290124 1097105533 /nfs/dbraw/zinc/10/55/33/1097105533.db2.gz AJKPRNWPVCUQJB-QGZVFWFLSA-N 2 2 320.452 3.289 20 0 DGADLP CC[C@@H](C)OCC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172344322 1097119513 /nfs/dbraw/zinc/11/95/13/1097119513.db2.gz ANAKPBWFWODATR-JKSUJKDBSA-N 2 2 305.466 3.234 20 0 DGADLP CCCCCC[C@@H](CCC)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172390228 1097142853 /nfs/dbraw/zinc/14/28/53/1097142853.db2.gz KDTOVGNBSRALDE-MRXNPFEDSA-N 2 2 322.497 3.202 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172402542 1097145282 /nfs/dbraw/zinc/14/52/82/1097145282.db2.gz NWYFRHZURKHHPW-GBESFXJTSA-N 2 2 301.478 3.270 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206166116 1097181614 /nfs/dbraw/zinc/18/16/14/1097181614.db2.gz QWFJSVCFRISRHN-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206166116 1097181618 /nfs/dbraw/zinc/18/16/18/1097181618.db2.gz QWFJSVCFRISRHN-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539447 1097186847 /nfs/dbraw/zinc/18/68/47/1097186847.db2.gz HDEBFRYJNOPXTP-UXHICEINSA-N 3 2 317.521 3.315 20 0 DGADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539447 1097186851 /nfs/dbraw/zinc/18/68/51/1097186851.db2.gz HDEBFRYJNOPXTP-UXHICEINSA-N 3 2 317.521 3.315 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](C)C[NH+](C)C ZINC001172577591 1097196950 /nfs/dbraw/zinc/19/69/50/1097196950.db2.gz VNMQVMLTWUSYRF-MNOVXSKESA-N 2 2 304.812 3.479 20 0 DGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228835918 1097200046 /nfs/dbraw/zinc/20/00/46/1097200046.db2.gz KMHRYXZCDSTLBE-GVDBMIGSSA-N 2 2 320.481 3.041 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172854989 1097262618 /nfs/dbraw/zinc/26/26/18/1097262618.db2.gz BAKRGYXKKLVVLA-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172854989 1097262623 /nfs/dbraw/zinc/26/26/23/1097262623.db2.gz BAKRGYXKKLVVLA-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172854989 1097262628 /nfs/dbraw/zinc/26/26/28/1097262628.db2.gz BAKRGYXKKLVVLA-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172854989 1097262632 /nfs/dbraw/zinc/26/26/32/1097262632.db2.gz BAKRGYXKKLVVLA-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1F ZINC001206185444 1097307333 /nfs/dbraw/zinc/30/73/33/1097307333.db2.gz NUYJDJKUJNDCQV-ZIAGYGMSSA-N 2 2 305.422 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1F ZINC001206185444 1097307339 /nfs/dbraw/zinc/30/73/39/1097307339.db2.gz NUYJDJKUJNDCQV-ZIAGYGMSSA-N 2 2 305.422 3.071 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC001173073170 1097322893 /nfs/dbraw/zinc/32/28/93/1097322893.db2.gz LIHCKMMYWOWLLR-ZDUSSCGKSA-N 2 2 316.367 3.202 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173082304 1097326230 /nfs/dbraw/zinc/32/62/30/1097326230.db2.gz LKARCBMVXHTDMY-TZMCWYRMSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173082304 1097326236 /nfs/dbraw/zinc/32/62/36/1097326236.db2.gz LKARCBMVXHTDMY-TZMCWYRMSA-N 2 2 316.367 3.200 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001173107522 1097331740 /nfs/dbraw/zinc/33/17/40/1097331740.db2.gz VQRRNOXCCADXOF-ADKAHSJRSA-N 3 2 309.542 3.349 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001173107522 1097331742 /nfs/dbraw/zinc/33/17/42/1097331742.db2.gz VQRRNOXCCADXOF-ADKAHSJRSA-N 3 2 309.542 3.349 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173201918 1097361525 /nfs/dbraw/zinc/36/15/25/1097361525.db2.gz LONCRCJCVKKCQE-UHFFFAOYSA-N 2 2 311.429 3.397 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173201918 1097361529 /nfs/dbraw/zinc/36/15/29/1097361529.db2.gz LONCRCJCVKKCQE-UHFFFAOYSA-N 2 2 311.429 3.397 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001173170698 1097365714 /nfs/dbraw/zinc/36/57/14/1097365714.db2.gz HYHJQTQYWRMLOM-DQGUZYCYSA-N 2 2 320.521 3.290 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206641 1097379068 /nfs/dbraw/zinc/37/90/68/1097379068.db2.gz UCJDJVDLUBKONQ-KTLDDFEXSA-N 2 2 314.473 3.403 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206641 1097379076 /nfs/dbraw/zinc/37/90/76/1097379076.db2.gz UCJDJVDLUBKONQ-KTLDDFEXSA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206641 1097379085 /nfs/dbraw/zinc/37/90/85/1097379085.db2.gz UCJDJVDLUBKONQ-KTLDDFEXSA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@@H]21 ZINC001173206641 1097379092 /nfs/dbraw/zinc/37/90/92/1097379092.db2.gz UCJDJVDLUBKONQ-KTLDDFEXSA-N 2 2 314.473 3.403 20 0 DGADLP CCCC[N@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001277417549 1097379529 /nfs/dbraw/zinc/37/95/29/1097379529.db2.gz OBMJXNLMAKOISX-UHFFFAOYSA-N 2 2 317.477 3.343 20 0 DGADLP CCCC[N@@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001277417549 1097379535 /nfs/dbraw/zinc/37/95/35/1097379535.db2.gz OBMJXNLMAKOISX-UHFFFAOYSA-N 2 2 317.477 3.343 20 0 DGADLP CCc1ccc(C[C@@H](C)[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001173242651 1097397258 /nfs/dbraw/zinc/39/72/58/1097397258.db2.gz HLYVAYMLKQAZQH-QGZVFWFLSA-N 2 2 318.505 3.223 20 0 DGADLP CCc1ccc(C[C@@H](C)[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001173242651 1097397262 /nfs/dbraw/zinc/39/72/62/1097397262.db2.gz HLYVAYMLKQAZQH-QGZVFWFLSA-N 2 2 318.505 3.223 20 0 DGADLP CCSC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173302022 1097403565 /nfs/dbraw/zinc/40/35/65/1097403565.db2.gz NFNFAGPETRSYIK-CQSZACIVSA-N 2 2 324.538 3.025 20 0 DGADLP CCSC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173302022 1097403570 /nfs/dbraw/zinc/40/35/70/1097403570.db2.gz NFNFAGPETRSYIK-CQSZACIVSA-N 2 2 324.538 3.025 20 0 DGADLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001173300832 1097403660 /nfs/dbraw/zinc/40/36/60/1097403660.db2.gz YQZMPZRMZVVAFQ-OAHLLOKOSA-N 2 2 322.518 3.391 20 0 DGADLP CC[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277371 1097409667 /nfs/dbraw/zinc/40/96/67/1097409667.db2.gz KGCYWISBJJLEFW-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277371 1097409669 /nfs/dbraw/zinc/40/96/69/1097409669.db2.gz KGCYWISBJJLEFW-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277371 1097409672 /nfs/dbraw/zinc/40/96/72/1097409672.db2.gz KGCYWISBJJLEFW-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277371 1097409674 /nfs/dbraw/zinc/40/96/74/1097409674.db2.gz KGCYWISBJJLEFW-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP Cc1cc(Nc2cc[nH+]c3ccccc23)n(-c2cc[nH+]cc2)n1 ZINC001174038684 1097596711 /nfs/dbraw/zinc/59/67/11/1097596711.db2.gz WYCMKTYLWLYBLF-UHFFFAOYSA-N 2 2 301.353 3.289 20 0 DGADLP c1ccc2c(Nc3ccc(C[NH+]4CCOCC4)cc3)cc[nH+]c2c1 ZINC001174039201 1097596937 /nfs/dbraw/zinc/59/69/37/1097596937.db2.gz YOYURKBAITVNIN-UHFFFAOYSA-N 2 2 319.408 3.233 20 0 DGADLP Cc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1Cl ZINC001231421304 1097746219 /nfs/dbraw/zinc/74/62/19/1097746219.db2.gz GFSMYPHFFRRTEK-UHFFFAOYSA-N 2 2 321.852 3.278 20 0 DGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3cc[nH+]c(C)c3)c2c1 ZINC001174653485 1097804201 /nfs/dbraw/zinc/80/42/01/1097804201.db2.gz QEKPFWUBISBUBP-UHFFFAOYSA-N 2 2 307.353 3.280 20 0 DGADLP CC[N@H+](Cc1cnc(-c2ccccc2)nc1C)C1CC[NH+](C)CC1 ZINC001231798380 1097848342 /nfs/dbraw/zinc/84/83/42/1097848342.db2.gz VEDXULDUIANIQW-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP CC[N@@H+](Cc1cnc(-c2ccccc2)nc1C)C1CC[NH+](C)CC1 ZINC001231798380 1097848348 /nfs/dbraw/zinc/84/83/48/1097848348.db2.gz VEDXULDUIANIQW-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP C[N@H+](Cc1ccc2ccnc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001231974544 1097905099 /nfs/dbraw/zinc/90/50/99/1097905099.db2.gz HVFJNFNVGWIDEW-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP C[N@@H+](Cc1ccc2ccnc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001231974544 1097905102 /nfs/dbraw/zinc/90/51/02/1097905102.db2.gz HVFJNFNVGWIDEW-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP c1[nH]nc2c1cccc2C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001231973580 1097905284 /nfs/dbraw/zinc/90/52/84/1097905284.db2.gz YQEWXNVIXCEHER-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016549 1097918755 /nfs/dbraw/zinc/91/87/55/1097918755.db2.gz YUUUABDKXZFLLH-ZWKOTPCHSA-N 3 2 312.461 3.402 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016549 1097918758 /nfs/dbraw/zinc/91/87/58/1097918758.db2.gz YUUUABDKXZFLLH-ZWKOTPCHSA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016549 1097918761 /nfs/dbraw/zinc/91/87/61/1097918761.db2.gz YUUUABDKXZFLLH-ZWKOTPCHSA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016549 1097918766 /nfs/dbraw/zinc/91/87/66/1097918766.db2.gz YUUUABDKXZFLLH-ZWKOTPCHSA-N 3 2 312.461 3.402 20 0 DGADLP CC[N@H+](Cc1c[nH]c2cccc(OC)c12)C1CC[NH+](C)CC1 ZINC001232034924 1097922727 /nfs/dbraw/zinc/92/27/27/1097922727.db2.gz AYXGDGTYCKGQFG-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2cccc(OC)c12)C1CC[NH+](C)CC1 ZINC001232034924 1097922729 /nfs/dbraw/zinc/92/27/29/1097922729.db2.gz AYXGDGTYCKGQFG-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001232145347 1097948971 /nfs/dbraw/zinc/94/89/71/1097948971.db2.gz QJBOMXRHKNFZTC-MSOLQXFVSA-N 2 2 318.436 3.221 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001232145347 1097948979 /nfs/dbraw/zinc/94/89/79/1097948979.db2.gz QJBOMXRHKNFZTC-MSOLQXFVSA-N 2 2 318.436 3.221 20 0 DGADLP Nc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232511202 1098065101 /nfs/dbraw/zinc/06/51/01/1098065101.db2.gz YDYMFFIHGJKYTK-QGZVFWFLSA-N 2 2 305.441 3.248 20 0 DGADLP Nc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232511202 1098065104 /nfs/dbraw/zinc/06/51/04/1098065104.db2.gz YDYMFFIHGJKYTK-QGZVFWFLSA-N 2 2 305.441 3.248 20 0 DGADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(C)cc[nH+]1 ZINC001277680803 1098075760 /nfs/dbraw/zinc/07/57/60/1098075760.db2.gz PQZMEIAIFJCXDX-GJZGRUSLSA-N 2 2 314.458 3.008 20 0 DGADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(C)cc[nH+]1 ZINC001277680803 1098075764 /nfs/dbraw/zinc/07/57/64/1098075764.db2.gz PQZMEIAIFJCXDX-GJZGRUSLSA-N 2 2 314.458 3.008 20 0 DGADLP COc1cccc(C)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001232624641 1098100066 /nfs/dbraw/zinc/10/00/66/1098100066.db2.gz QUAJOARDXJAXIA-INIZCTEOSA-N 2 2 312.413 3.360 20 0 DGADLP C[N@H+](Cc1ccc(-c2cccc(F)c2)nc1)C1CC[NH+](C)CC1 ZINC001232883529 1098161822 /nfs/dbraw/zinc/16/18/22/1098161822.db2.gz PFNHTRYMYFKBFW-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP C[N@@H+](Cc1ccc(-c2cccc(F)c2)nc1)C1CC[NH+](C)CC1 ZINC001232883529 1098161825 /nfs/dbraw/zinc/16/18/25/1098161825.db2.gz PFNHTRYMYFKBFW-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP Cc1ncc(F)cc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232989690 1098194824 /nfs/dbraw/zinc/19/48/24/1098194824.db2.gz UWJJIXJOFCDYGW-GOSISDBHSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1ncc(F)cc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232989690 1098194827 /nfs/dbraw/zinc/19/48/27/1098194827.db2.gz UWJJIXJOFCDYGW-GOSISDBHSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1ccc(Nc2ccc(OCCC[NH+](C)C)nc2)c(C)[nH+]1 ZINC001176352196 1098329286 /nfs/dbraw/zinc/32/92/86/1098329286.db2.gz NQHYIMRLAVHVOQ-UHFFFAOYSA-N 2 2 300.406 3.168 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000066970260 1098425842 /nfs/dbraw/zinc/42/58/42/1098425842.db2.gz WPOPEVNALZPVEP-UHFFFAOYSA-N 2 2 301.459 3.384 20 0 DGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810256 1098439096 /nfs/dbraw/zinc/43/90/96/1098439096.db2.gz ITNMLLDKRVHUDR-KRWDZBQOSA-N 2 2 322.497 3.118 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001177061294 1098469431 /nfs/dbraw/zinc/46/94/31/1098469431.db2.gz KQGNZDCYDKDCQB-QUCCMNQESA-N 2 2 318.505 3.202 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001177061294 1098469434 /nfs/dbraw/zinc/46/94/34/1098469434.db2.gz KQGNZDCYDKDCQB-QUCCMNQESA-N 2 2 318.505 3.202 20 0 DGADLP Cc1nc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)sc1C ZINC001177217280 1098495993 /nfs/dbraw/zinc/49/59/93/1098495993.db2.gz IXAPCKUFBZGRJZ-UHFFFAOYSA-N 2 2 312.442 3.295 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC001177507316 1098544259 /nfs/dbraw/zinc/54/42/59/1098544259.db2.gz ZWXFQJFVZMFFIN-INIZCTEOSA-N 2 2 323.506 3.349 20 0 DGADLP CN(C)c1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177566430 1098555935 /nfs/dbraw/zinc/55/59/35/1098555935.db2.gz XUBPRLAMTYEYTJ-UHFFFAOYSA-N 2 2 306.413 3.228 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995025 1098739220 /nfs/dbraw/zinc/73/92/20/1098739220.db2.gz WISVSJRDCUNZOX-INIZCTEOSA-N 2 2 312.379 3.323 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995025 1098739225 /nfs/dbraw/zinc/73/92/25/1098739225.db2.gz WISVSJRDCUNZOX-INIZCTEOSA-N 2 2 312.379 3.323 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(OC(C)C)c1 ZINC001235001081 1098745854 /nfs/dbraw/zinc/74/58/54/1098745854.db2.gz SFDGDDVTWVDRFK-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(OC(C)C)c1 ZINC001235001081 1098745862 /nfs/dbraw/zinc/74/58/62/1098745862.db2.gz SFDGDDVTWVDRFK-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP Clc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)o2)cc1 ZINC001235026837 1098757152 /nfs/dbraw/zinc/75/71/52/1098757152.db2.gz UMNBPWXDNOZXLS-XJKSGUPXSA-N 2 2 302.805 3.394 20 0 DGADLP Clc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)o2)cc1 ZINC001235026837 1098757163 /nfs/dbraw/zinc/75/71/63/1098757163.db2.gz UMNBPWXDNOZXLS-XJKSGUPXSA-N 2 2 302.805 3.394 20 0 DGADLP Clc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)o1 ZINC001235027157 1098758198 /nfs/dbraw/zinc/75/81/98/1098758198.db2.gz VIVWRDCARYUWQS-BLLLJJGKSA-N 2 2 302.805 3.394 20 0 DGADLP Clc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)o1 ZINC001235027157 1098758208 /nfs/dbraw/zinc/75/82/08/1098758208.db2.gz VIVWRDCARYUWQS-BLLLJJGKSA-N 2 2 302.805 3.394 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)cn1 ZINC001235039610 1098766663 /nfs/dbraw/zinc/76/66/63/1098766663.db2.gz WEPCRFPYIBAJOI-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)cn1 ZINC001235039610 1098766672 /nfs/dbraw/zinc/76/66/72/1098766672.db2.gz WEPCRFPYIBAJOI-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037096 1098767301 /nfs/dbraw/zinc/76/73/01/1098767301.db2.gz DNXGVDJJSVMZPY-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037096 1098767313 /nfs/dbraw/zinc/76/73/13/1098767313.db2.gz DNXGVDJJSVMZPY-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345760 1098787595 /nfs/dbraw/zinc/78/75/95/1098787595.db2.gz KZMTURNVNAXQAW-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)ccc1Cl ZINC001235089724 1098793999 /nfs/dbraw/zinc/79/39/99/1098793999.db2.gz QXFGVJIPMUHNSP-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)ccc1Cl ZINC001235089724 1098794009 /nfs/dbraw/zinc/79/40/09/1098794009.db2.gz QXFGVJIPMUHNSP-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP CC[N@H+](Cc1cccc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001235092772 1098794914 /nfs/dbraw/zinc/79/49/14/1098794914.db2.gz OEWHRDMLAMSXMC-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CC[N@@H+](Cc1cccc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001235092772 1098794924 /nfs/dbraw/zinc/79/49/24/1098794924.db2.gz OEWHRDMLAMSXMC-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP Cc1sc2ccccc2c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235117218 1098819433 /nfs/dbraw/zinc/81/94/33/1098819433.db2.gz KUIDVIHPSOOSJH-SFHVURJKSA-N 2 2 316.470 3.164 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c(C)c1C ZINC001235119196 1098821404 /nfs/dbraw/zinc/82/14/04/1098821404.db2.gz YFVGUUVCFJUUEW-IBGZPJMESA-N 2 2 302.462 3.338 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c(C)c1C ZINC001235119196 1098821420 /nfs/dbraw/zinc/82/14/20/1098821420.db2.gz YFVGUUVCFJUUEW-IBGZPJMESA-N 2 2 302.462 3.338 20 0 DGADLP C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409465 1098826678 /nfs/dbraw/zinc/82/66/78/1098826678.db2.gz URKBFNHYGYJLRL-AWEZNQCLSA-N 2 2 321.428 3.334 20 0 DGADLP CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166679 1098848319 /nfs/dbraw/zinc/84/83/19/1098848319.db2.gz VKJGUVUBJYRJER-JENIJYKNSA-N 2 2 306.494 3.077 20 0 DGADLP CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166679 1098848326 /nfs/dbraw/zinc/84/83/26/1098848326.db2.gz VKJGUVUBJYRJER-JENIJYKNSA-N 2 2 306.494 3.077 20 0 DGADLP COc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235168299 1098850977 /nfs/dbraw/zinc/85/09/77/1098850977.db2.gz QMYGZNCLSIQUPK-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP COc1ccc2[nH]cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235168299 1098850985 /nfs/dbraw/zinc/85/09/85/1098850985.db2.gz QMYGZNCLSIQUPK-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@]13CCC[NH2+]C3)CCCO2 ZINC001235169167 1098851257 /nfs/dbraw/zinc/85/12/57/1098851257.db2.gz WFUFOKRNUGASLF-LJQANCHMSA-N 2 2 300.446 3.120 20 0 DGADLP c1cc2c(cc1C[N@H+]1CCCC[C@]13CCC[NH2+]C3)CCCO2 ZINC001235169167 1098851263 /nfs/dbraw/zinc/85/12/63/1098851263.db2.gz WFUFOKRNUGASLF-LJQANCHMSA-N 2 2 300.446 3.120 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235168711 1098851321 /nfs/dbraw/zinc/85/13/21/1098851321.db2.gz SMBWDKFMOVJEHT-FQEVSTJZSA-N 2 2 324.472 3.493 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235168711 1098851330 /nfs/dbraw/zinc/85/13/30/1098851330.db2.gz SMBWDKFMOVJEHT-FQEVSTJZSA-N 2 2 324.472 3.493 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235175691 1098856932 /nfs/dbraw/zinc/85/69/32/1098856932.db2.gz SNKHSCYZTKKUNT-LEWJYISDSA-N 2 2 306.453 3.395 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235175691 1098856945 /nfs/dbraw/zinc/85/69/45/1098856945.db2.gz SNKHSCYZTKKUNT-LEWJYISDSA-N 2 2 306.453 3.395 20 0 DGADLP COc1cccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235178943 1098860956 /nfs/dbraw/zinc/86/09/56/1098860956.db2.gz PYHQHJHXTPENHK-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP COc1cccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235178943 1098860961 /nfs/dbraw/zinc/86/09/61/1098860961.db2.gz PYHQHJHXTPENHK-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP COc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)ccc1Cl ZINC001235188975 1098865092 /nfs/dbraw/zinc/86/50/92/1098865092.db2.gz DAAUCIOLWYHXTL-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1Cl ZINC001235188975 1098865098 /nfs/dbraw/zinc/86/50/98/1098865098.db2.gz DAAUCIOLWYHXTL-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP Cc1c(Br)ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC001235197111 1098872660 /nfs/dbraw/zinc/87/26/60/1098872660.db2.gz AQNLBNASPCCXKD-UKRRQHHQSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1c(Br)ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC001235197111 1098872673 /nfs/dbraw/zinc/87/26/73/1098872673.db2.gz AQNLBNASPCCXKD-UKRRQHHQSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235214225 1098885200 /nfs/dbraw/zinc/88/52/00/1098885200.db2.gz ACOHVPYQZATLCV-APWZRJJASA-N 2 2 302.462 3.274 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235214225 1098885213 /nfs/dbraw/zinc/88/52/13/1098885213.db2.gz ACOHVPYQZATLCV-APWZRJJASA-N 2 2 302.462 3.274 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cc2c(cccc2Br)[nH]1 ZINC001235218899 1098889838 /nfs/dbraw/zinc/88/98/38/1098889838.db2.gz TUCSPOYXCSBBPV-UHFFFAOYSA-N 2 2 324.266 3.314 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2c(cccc2Br)[nH]1 ZINC001235218899 1098889848 /nfs/dbraw/zinc/88/98/48/1098889848.db2.gz TUCSPOYXCSBBPV-UHFFFAOYSA-N 2 2 324.266 3.314 20 0 DGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649472 1098897835 /nfs/dbraw/zinc/89/78/35/1098897835.db2.gz KXGCELUZKSRSCV-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649472 1098897848 /nfs/dbraw/zinc/89/78/48/1098897848.db2.gz KXGCELUZKSRSCV-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCCCOCc2ccccc2)C1 ZINC001206338308 1098897994 /nfs/dbraw/zinc/89/79/94/1098897994.db2.gz ZBVKSTPSKFYLTH-SFHVURJKSA-N 2 2 308.441 3.136 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206338308 1098898013 /nfs/dbraw/zinc/89/80/13/1098898013.db2.gz ZBVKSTPSKFYLTH-SFHVURJKSA-N 2 2 308.441 3.136 20 0 DGADLP Fc1ccc(Cl)nc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235242085 1098916702 /nfs/dbraw/zinc/91/67/02/1098916702.db2.gz QTSKDBAULQQVBL-CQSZACIVSA-N 2 2 311.832 3.228 20 0 DGADLP Oc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249490 1098922117 /nfs/dbraw/zinc/92/21/17/1098922117.db2.gz QBXMMNNUQXGTLR-WOJBJXKFSA-N 2 2 308.425 3.114 20 0 DGADLP Oc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249490 1098922127 /nfs/dbraw/zinc/92/21/27/1098922127.db2.gz QBXMMNNUQXGTLR-WOJBJXKFSA-N 2 2 308.425 3.114 20 0 DGADLP c1ccc(OCc2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235255205 1098927350 /nfs/dbraw/zinc/92/73/50/1098927350.db2.gz DCGDUTFNEPQQCV-QUCCMNQESA-N 2 2 308.425 3.059 20 0 DGADLP c1ccc(OCc2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235255205 1098927359 /nfs/dbraw/zinc/92/73/59/1098927359.db2.gz DCGDUTFNEPQQCV-QUCCMNQESA-N 2 2 308.425 3.059 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)s2)cc1 ZINC001235255296 1098928157 /nfs/dbraw/zinc/92/81/57/1098928157.db2.gz DFAJTRVCKSEEGF-RHSMWYFYSA-N 2 2 314.454 3.217 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)s2)cc1 ZINC001235255296 1098928166 /nfs/dbraw/zinc/92/81/66/1098928166.db2.gz DFAJTRVCKSEEGF-RHSMWYFYSA-N 2 2 314.454 3.217 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(Br)c1 ZINC001235257714 1098929687 /nfs/dbraw/zinc/92/96/87/1098929687.db2.gz ZYWFLOSMDNRXGL-DZKIICNBSA-N 2 2 323.278 3.494 20 0 DGADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c(Br)c1 ZINC001235257714 1098929690 /nfs/dbraw/zinc/92/96/90/1098929690.db2.gz ZYWFLOSMDNRXGL-DZKIICNBSA-N 2 2 323.278 3.494 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235276514 1098942484 /nfs/dbraw/zinc/94/24/84/1098942484.db2.gz ZEEAOXOLNWPMIZ-OCCSQVGLSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235276514 1098942492 /nfs/dbraw/zinc/94/24/92/1098942492.db2.gz ZEEAOXOLNWPMIZ-OCCSQVGLSA-N 2 2 316.392 3.482 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399363 1098994745 /nfs/dbraw/zinc/99/47/45/1098994745.db2.gz ANEUAKGUTRZAFP-WBVHZDCISA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399363 1098994753 /nfs/dbraw/zinc/99/47/53/1098994753.db2.gz ANEUAKGUTRZAFP-WBVHZDCISA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407674 1099004841 /nfs/dbraw/zinc/00/48/41/1099004841.db2.gz SRUJDOLHDNGHAH-HUUCEWRRSA-N 2 2 316.342 3.229 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407674 1099004854 /nfs/dbraw/zinc/00/48/54/1099004854.db2.gz SRUJDOLHDNGHAH-HUUCEWRRSA-N 2 2 316.342 3.229 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409808 1099006653 /nfs/dbraw/zinc/00/66/53/1099006653.db2.gz WXGXLWCFWCVYOZ-DOTOQJQBSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409808 1099006664 /nfs/dbraw/zinc/00/66/64/1099006664.db2.gz WXGXLWCFWCVYOZ-DOTOQJQBSA-N 2 2 321.827 3.345 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2O1 ZINC001179314800 1099067817 /nfs/dbraw/zinc/06/78/17/1099067817.db2.gz DYEDCPLTBGEVPV-CQSZACIVSA-N 2 2 324.371 3.115 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2O1 ZINC001179314800 1099067829 /nfs/dbraw/zinc/06/78/29/1099067829.db2.gz DYEDCPLTBGEVPV-CQSZACIVSA-N 2 2 324.371 3.115 20 0 DGADLP CCC[C@@H](CCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358926 1099067864 /nfs/dbraw/zinc/06/78/64/1099067864.db2.gz LUTJUINPNCOCDT-ZWKOTPCHSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@@H](CCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358926 1099067877 /nfs/dbraw/zinc/06/78/77/1099067877.db2.gz LUTJUINPNCOCDT-ZWKOTPCHSA-N 2 2 304.478 3.180 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc2)c[nH+]1 ZINC001179437449 1099093565 /nfs/dbraw/zinc/09/35/65/1099093565.db2.gz HGOMCUXXYQGYRJ-QGZVFWFLSA-N 2 2 321.380 3.143 20 0 DGADLP CC[C@H]([NH3+])C[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001235670505 1099114648 /nfs/dbraw/zinc/11/46/48/1099114648.db2.gz TVVUTKZKFVOMEG-LBPRGKRZSA-N 2 2 300.805 3.060 20 0 DGADLP Fc1ccc(-c2cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)ccn2)cc1 ZINC001235711921 1099139341 /nfs/dbraw/zinc/13/93/41/1099139341.db2.gz VIZPYDSDNSLUOX-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP Fc1ccc(-c2cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)ccn2)cc1 ZINC001235711921 1099139347 /nfs/dbraw/zinc/13/93/47/1099139347.db2.gz VIZPYDSDNSLUOX-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP COc1ccc([C@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235726148 1099148918 /nfs/dbraw/zinc/14/89/18/1099148918.db2.gz NCZWZPFUMRAKET-SJLPKXTDSA-N 2 2 320.502 3.317 20 0 DGADLP COc1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235726148 1099148926 /nfs/dbraw/zinc/14/89/26/1099148926.db2.gz NCZWZPFUMRAKET-SJLPKXTDSA-N 2 2 320.502 3.317 20 0 DGADLP CC(C)c1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC001235751448 1099164888 /nfs/dbraw/zinc/16/48/88/1099164888.db2.gz ZPZWWABBOIZTPT-GFCCVEGCSA-N 2 2 311.267 3.353 20 0 DGADLP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC001235751448 1099164894 /nfs/dbraw/zinc/16/48/94/1099164894.db2.gz ZPZWWABBOIZTPT-GFCCVEGCSA-N 2 2 311.267 3.353 20 0 DGADLP COCCC[N@H+](Cc1ccc(Cl)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235805207 1099187602 /nfs/dbraw/zinc/18/76/02/1099187602.db2.gz HKTOZVYJZDYLFT-QGZVFWFLSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1ccc(Cl)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235805207 1099187605 /nfs/dbraw/zinc/18/76/05/1099187605.db2.gz HKTOZVYJZDYLFT-QGZVFWFLSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@H+](Cc1cccc(C(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC001235806002 1099187896 /nfs/dbraw/zinc/18/78/96/1099187896.db2.gz IACSWJUJNBMSEI-INIZCTEOSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@@H+](Cc1cccc(C(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC001235806002 1099187901 /nfs/dbraw/zinc/18/79/01/1099187901.db2.gz IACSWJUJNBMSEI-INIZCTEOSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235808433 1099189206 /nfs/dbraw/zinc/18/92/06/1099189206.db2.gz SQRSYAGMDOPNQU-GOSISDBHSA-N 2 2 320.477 3.064 20 0 DGADLP COCCC[N@@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235808433 1099189213 /nfs/dbraw/zinc/18/92/13/1099189213.db2.gz SQRSYAGMDOPNQU-GOSISDBHSA-N 2 2 320.477 3.064 20 0 DGADLP COCCC[N@H+](Cc1ccccc1C1CC1)[C@H]1CCC[NH2+]C1 ZINC001235807119 1099189622 /nfs/dbraw/zinc/18/96/22/1099189622.db2.gz LHFOVHNPBICJTG-SFHVURJKSA-N 2 2 302.462 3.155 20 0 DGADLP COCCC[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCC[NH2+]C1 ZINC001235807119 1099189627 /nfs/dbraw/zinc/18/96/27/1099189627.db2.gz LHFOVHNPBICJTG-SFHVURJKSA-N 2 2 302.462 3.155 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1Cl ZINC001179816537 1099212520 /nfs/dbraw/zinc/21/25/20/1099212520.db2.gz MEDNWOUQLBOJRV-VNQPRFMTSA-N 2 2 324.900 3.075 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1Cl ZINC001179816537 1099212529 /nfs/dbraw/zinc/21/25/29/1099212529.db2.gz MEDNWOUQLBOJRV-VNQPRFMTSA-N 2 2 324.900 3.075 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c2c(OC)cccc12 ZINC001235902940 1099246458 /nfs/dbraw/zinc/24/64/58/1099246458.db2.gz HAZUZIBQIBDSIK-HIFRSBDPSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c2c(OC)cccc12 ZINC001235902940 1099246468 /nfs/dbraw/zinc/24/64/68/1099246468.db2.gz HAZUZIBQIBDSIK-HIFRSBDPSA-N 2 2 314.429 3.169 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235907734 1099251084 /nfs/dbraw/zinc/25/10/84/1099251084.db2.gz STHGYTFMNGSMRI-YPMHNXCESA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235907734 1099251093 /nfs/dbraw/zinc/25/10/93/1099251093.db2.gz STHGYTFMNGSMRI-YPMHNXCESA-N 2 2 302.340 3.205 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1C(F)(F)F ZINC001235925185 1099261707 /nfs/dbraw/zinc/26/17/07/1099261707.db2.gz DMQFRGSGXOKSQD-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1C(F)(F)F ZINC001235925185 1099261714 /nfs/dbraw/zinc/26/17/14/1099261714.db2.gz DMQFRGSGXOKSQD-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CO1 ZINC001235949737 1099282803 /nfs/dbraw/zinc/28/28/03/1099282803.db2.gz HARRMCVFBHXRJD-ZBFHGGJFSA-N 2 2 308.853 3.244 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CO1 ZINC001235949737 1099282810 /nfs/dbraw/zinc/28/28/10/1099282810.db2.gz HARRMCVFBHXRJD-ZBFHGGJFSA-N 2 2 308.853 3.244 20 0 DGADLP C[N@H+](Cc1c[nH+]c(N)[nH]1)Cc1ccc(Oc2ccccc2)cc1 ZINC001235950011 1099283557 /nfs/dbraw/zinc/28/35/57/1099283557.db2.gz MNPXVDWLMRJCNW-UHFFFAOYSA-N 2 2 308.385 3.416 20 0 DGADLP C[N@@H+](Cc1c[nH+]c(N)[nH]1)Cc1ccc(Oc2ccccc2)cc1 ZINC001235950011 1099283564 /nfs/dbraw/zinc/28/35/64/1099283564.db2.gz MNPXVDWLMRJCNW-UHFFFAOYSA-N 2 2 308.385 3.416 20 0 DGADLP CC(C)[N@@H+](CC(=O)c1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961561 1099294750 /nfs/dbraw/zinc/29/47/50/1099294750.db2.gz CCUGTHULTOZPIE-ZBFHGGJFSA-N 2 2 324.415 3.071 20 0 DGADLP CC(C)[N@H+](CC(=O)c1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961561 1099294757 /nfs/dbraw/zinc/29/47/57/1099294757.db2.gz CCUGTHULTOZPIE-ZBFHGGJFSA-N 2 2 324.415 3.071 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998267 1099320006 /nfs/dbraw/zinc/32/00/06/1099320006.db2.gz XSIHKYVIHMNFIG-UYAOXDASSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998267 1099320017 /nfs/dbraw/zinc/32/00/17/1099320017.db2.gz XSIHKYVIHMNFIG-UYAOXDASSA-N 2 2 308.425 3.189 20 0 DGADLP CC[N@H+](Cc1cc2cc(OC)ccc2s1)[C@H]1CCC[NH2+]C1 ZINC001236008154 1099330687 /nfs/dbraw/zinc/33/06/87/1099330687.db2.gz DWNKLWNOADKOAP-AWEZNQCLSA-N 2 2 304.459 3.484 20 0 DGADLP CC[N@@H+](Cc1cc2cc(OC)ccc2s1)[C@H]1CCC[NH2+]C1 ZINC001236008154 1099330699 /nfs/dbraw/zinc/33/06/99/1099330699.db2.gz DWNKLWNOADKOAP-AWEZNQCLSA-N 2 2 304.459 3.484 20 0 DGADLP Cn1c2ccccc2c(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1-c1ccccc1 ZINC001236030055 1099340615 /nfs/dbraw/zinc/34/06/15/1099340615.db2.gz PMVVCGLWXCZBAF-IIBYNOLFSA-N 2 2 317.436 3.378 20 0 DGADLP Cn1c2ccccc2c(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1-c1ccccc1 ZINC001236030055 1099340628 /nfs/dbraw/zinc/34/06/28/1099340628.db2.gz PMVVCGLWXCZBAF-IIBYNOLFSA-N 2 2 317.436 3.378 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H]([NH3+])C[C@H](C)C3)c2c1 ZINC001236052308 1099354503 /nfs/dbraw/zinc/35/45/03/1099354503.db2.gz QCNKDFXGKPGQFT-DZGCQCFKSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H]([NH3+])C[C@H](C)C3)c2c1 ZINC001236052308 1099354515 /nfs/dbraw/zinc/35/45/15/1099354515.db2.gz QCNKDFXGKPGQFT-DZGCQCFKSA-N 2 2 314.429 3.026 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001236065691 1099364563 /nfs/dbraw/zinc/36/45/63/1099364563.db2.gz CNIQBGMYEONSJR-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001236065691 1099364570 /nfs/dbraw/zinc/36/45/70/1099364570.db2.gz CNIQBGMYEONSJR-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP CCCCc1[nH]c(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)c[nH+]1 ZINC001236124004 1099410764 /nfs/dbraw/zinc/41/07/64/1099410764.db2.gz DILYXWDXJWKYOO-KRWDZBQOSA-N 2 2 316.424 3.038 20 0 DGADLP CCCCc1[nH]cc(CN2CC[NH2+]C[C@H]2c2ccc(F)cc2)[nH+]1 ZINC001236124004 1099410774 /nfs/dbraw/zinc/41/07/74/1099410774.db2.gz DILYXWDXJWKYOO-KRWDZBQOSA-N 2 2 316.424 3.038 20 0 DGADLP CCC[C@@H]1C[NH2+]CCN1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236132169 1099418706 /nfs/dbraw/zinc/41/87/06/1099418706.db2.gz FWSYJHYPILNOEO-MRXNPFEDSA-N 2 2 318.852 3.100 20 0 DGADLP CCC[N@H+](Cc1cc2c(cc1Cl)OCO2)C1CC[NH2+]CC1 ZINC001236181717 1099452608 /nfs/dbraw/zinc/45/26/08/1099452608.db2.gz BTRPZVSHMXBYPF-UHFFFAOYSA-N 2 2 310.825 3.033 20 0 DGADLP CCC[N@@H+](Cc1cc2c(cc1Cl)OCO2)C1CC[NH2+]CC1 ZINC001236181717 1099452621 /nfs/dbraw/zinc/45/26/21/1099452621.db2.gz BTRPZVSHMXBYPF-UHFFFAOYSA-N 2 2 310.825 3.033 20 0 DGADLP COc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc(C)c1F ZINC001236191283 1099456909 /nfs/dbraw/zinc/45/69/09/1099456909.db2.gz UEGXSVOBUNIQNV-UHFFFAOYSA-N 2 2 311.360 3.144 20 0 DGADLP C[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206197 1099462921 /nfs/dbraw/zinc/46/29/21/1099462921.db2.gz JCQLYZPNNZUSQL-KRWDZBQOSA-N 2 2 318.852 3.100 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206197 1099462926 /nfs/dbraw/zinc/46/29/26/1099462926.db2.gz JCQLYZPNNZUSQL-KRWDZBQOSA-N 2 2 318.852 3.100 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1Br ZINC001236209349 1099466818 /nfs/dbraw/zinc/46/68/18/1099466818.db2.gz WLSFFQGZMWMUJO-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1Br ZINC001236209349 1099466820 /nfs/dbraw/zinc/46/68/20/1099466820.db2.gz WLSFFQGZMWMUJO-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214148 1099470450 /nfs/dbraw/zinc/47/04/50/1099470450.db2.gz CKYDNANNXCGWOO-HUUCEWRRSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214148 1099470453 /nfs/dbraw/zinc/47/04/53/1099470453.db2.gz CKYDNANNXCGWOO-HUUCEWRRSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215817 1099471733 /nfs/dbraw/zinc/47/17/33/1099471733.db2.gz YFGDCIZBARVURW-KGLIPLIRSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215817 1099471739 /nfs/dbraw/zinc/47/17/39/1099471739.db2.gz YFGDCIZBARVURW-KGLIPLIRSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@H+](Cc1ccc(O)cc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217337 1099473340 /nfs/dbraw/zinc/47/33/40/1099473340.db2.gz OBJZGTSVQJUNIP-UONOGXRCSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217337 1099473348 /nfs/dbraw/zinc/47/33/48/1099473348.db2.gz OBJZGTSVQJUNIP-UONOGXRCSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217706 1099474674 /nfs/dbraw/zinc/47/46/74/1099474674.db2.gz PVXZCCLOSQZRIR-KBPBESRZSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217706 1099474679 /nfs/dbraw/zinc/47/46/79/1099474679.db2.gz PVXZCCLOSQZRIR-KBPBESRZSA-N 2 2 315.230 3.290 20 0 DGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1C(F)(F)F ZINC001236219119 1099475244 /nfs/dbraw/zinc/47/52/44/1099475244.db2.gz UPSYUSZTOJDSTO-KBPBESRZSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1C(F)(F)F ZINC001236219119 1099475249 /nfs/dbraw/zinc/47/52/49/1099475249.db2.gz UPSYUSZTOJDSTO-KBPBESRZSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219471 1099478301 /nfs/dbraw/zinc/47/83/01/1099478301.db2.gz WQEMGTIAZGDBOC-QWHCGFSZSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219471 1099478305 /nfs/dbraw/zinc/47/83/05/1099478305.db2.gz WQEMGTIAZGDBOC-QWHCGFSZSA-N 2 2 320.330 3.426 20 0 DGADLP CCc1cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236238435 1099491931 /nfs/dbraw/zinc/49/19/31/1099491931.db2.gz FEYKOQVAMNFAJX-SFHVURJKSA-N 2 2 302.462 3.233 20 0 DGADLP CCc1cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236238435 1099491934 /nfs/dbraw/zinc/49/19/34/1099491934.db2.gz FEYKOQVAMNFAJX-SFHVURJKSA-N 2 2 302.462 3.233 20 0 DGADLP COc1cc(C)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001236239389 1099492812 /nfs/dbraw/zinc/49/28/12/1099492812.db2.gz KKYPHZFWWSCCCO-QGZVFWFLSA-N 2 2 302.462 3.337 20 0 DGADLP COc1cc(C)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001236239389 1099492820 /nfs/dbraw/zinc/49/28/20/1099492820.db2.gz KKYPHZFWWSCCCO-QGZVFWFLSA-N 2 2 302.462 3.337 20 0 DGADLP c1cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(-c2ccncc2)c1 ZINC001236241108 1099495833 /nfs/dbraw/zinc/49/58/33/1099495833.db2.gz RLQMUJFTZYJIEC-HXUWFJFHSA-N 2 2 307.441 3.465 20 0 DGADLP c1cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(-c2ccncc2)c1 ZINC001236241108 1099495841 /nfs/dbraw/zinc/49/58/41/1099495841.db2.gz RLQMUJFTZYJIEC-HXUWFJFHSA-N 2 2 307.441 3.465 20 0 DGADLP c1[nH]nc2cccc(C[N@@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)c12 ZINC001236271137 1099512841 /nfs/dbraw/zinc/51/28/41/1099512841.db2.gz RMYXIGXBBVNNQA-GOSISDBHSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cccc(C[N@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)c12 ZINC001236271137 1099512853 /nfs/dbraw/zinc/51/28/53/1099512853.db2.gz RMYXIGXBBVNNQA-GOSISDBHSA-N 2 2 320.440 3.317 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001236308612 1099526869 /nfs/dbraw/zinc/52/68/69/1099526869.db2.gz USGBYZDQMHXUGC-LJQANCHMSA-N 2 2 310.441 3.142 20 0 DGADLP Nc1ccc(-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)c[nH+]1 ZINC001236313312 1099528482 /nfs/dbraw/zinc/52/84/82/1099528482.db2.gz NCPFGIDSWXCXQW-UHFFFAOYSA-N 2 2 306.413 3.450 20 0 DGADLP COc1cccc([C@H]2CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236332767 1099542352 /nfs/dbraw/zinc/54/23/52/1099542352.db2.gz BGCGWJCSRLRNIT-VQTJNVASSA-N 2 2 324.468 3.445 20 0 DGADLP COc1cccc([C@H]2CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236332767 1099542368 /nfs/dbraw/zinc/54/23/68/1099542368.db2.gz BGCGWJCSRLRNIT-VQTJNVASSA-N 2 2 324.468 3.445 20 0 DGADLP Cc1cccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1OCc1ccccc1 ZINC001236412263 1099585268 /nfs/dbraw/zinc/58/52/68/1099585268.db2.gz JPYBMMIQXGUPJI-PMOLBWCYSA-N 2 2 322.452 3.224 20 0 DGADLP Cc1cccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1OCc1ccccc1 ZINC001236412263 1099585277 /nfs/dbraw/zinc/58/52/77/1099585277.db2.gz JPYBMMIQXGUPJI-PMOLBWCYSA-N 2 2 322.452 3.224 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410883 1099585941 /nfs/dbraw/zinc/58/59/41/1099585941.db2.gz LBUSEUHBGSGQLJ-JTQLQIEISA-N 2 2 322.321 3.415 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410883 1099585947 /nfs/dbraw/zinc/58/59/47/1099585947.db2.gz LBUSEUHBGSGQLJ-JTQLQIEISA-N 2 2 322.321 3.415 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236432609 1099607823 /nfs/dbraw/zinc/60/78/23/1099607823.db2.gz AOCBTWFEXNYLFZ-LJQANCHMSA-N 2 2 316.420 3.500 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236432609 1099607825 /nfs/dbraw/zinc/60/78/25/1099607825.db2.gz AOCBTWFEXNYLFZ-LJQANCHMSA-N 2 2 316.420 3.500 20 0 DGADLP Clc1ccccc1C[N@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236451446 1099617846 /nfs/dbraw/zinc/61/78/46/1099617846.db2.gz RAFHEPCJGCDABR-KRWDZBQOSA-N 2 2 322.880 3.463 20 0 DGADLP Clc1ccccc1C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236451446 1099617849 /nfs/dbraw/zinc/61/78/49/1099617849.db2.gz RAFHEPCJGCDABR-KRWDZBQOSA-N 2 2 322.880 3.463 20 0 DGADLP Cc1ccc2[nH]nc(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)c2c1 ZINC001236458631 1099623031 /nfs/dbraw/zinc/62/30/31/1099623031.db2.gz ZUMUKUXTJKVPOH-UHFFFAOYSA-N 2 2 314.477 3.471 20 0 DGADLP Cc1ccc2[nH]nc(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)c2c1 ZINC001236458631 1099623039 /nfs/dbraw/zinc/62/30/39/1099623039.db2.gz ZUMUKUXTJKVPOH-UHFFFAOYSA-N 2 2 314.477 3.471 20 0 DGADLP CCOc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236478022 1099637085 /nfs/dbraw/zinc/63/70/85/1099637085.db2.gz AGPCIUZMSIVSPQ-MRXNPFEDSA-N 2 2 308.441 3.434 20 0 DGADLP CCOc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236478022 1099637089 /nfs/dbraw/zinc/63/70/89/1099637089.db2.gz AGPCIUZMSIVSPQ-MRXNPFEDSA-N 2 2 308.441 3.434 20 0 DGADLP CC(C)C[N@H+](Cc1cc(F)cc(N(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236478382 1099637250 /nfs/dbraw/zinc/63/72/50/1099637250.db2.gz GQSMGKLBKBZADY-QGZVFWFLSA-N 2 2 307.457 3.102 20 0 DGADLP CC(C)C[N@@H+](Cc1cc(F)cc(N(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236478382 1099637254 /nfs/dbraw/zinc/63/72/54/1099637254.db2.gz GQSMGKLBKBZADY-QGZVFWFLSA-N 2 2 307.457 3.102 20 0 DGADLP [NH3+]CC[N@H+](CCc1ccc(F)cc1Cl)Cc1ccccc1 ZINC001236522067 1099659439 /nfs/dbraw/zinc/65/94/39/1099659439.db2.gz KSMZQQCILKRCNW-UHFFFAOYSA-N 2 2 306.812 3.483 20 0 DGADLP [NH3+]CC[N@@H+](CCc1ccc(F)cc1Cl)Cc1ccccc1 ZINC001236522067 1099659443 /nfs/dbraw/zinc/65/94/43/1099659443.db2.gz KSMZQQCILKRCNW-UHFFFAOYSA-N 2 2 306.812 3.483 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236525712 1099660647 /nfs/dbraw/zinc/66/06/47/1099660647.db2.gz BMECISLYICTQRS-HNNXBMFYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236525712 1099660649 /nfs/dbraw/zinc/66/06/49/1099660649.db2.gz BMECISLYICTQRS-HNNXBMFYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236530039 1099664698 /nfs/dbraw/zinc/66/46/98/1099664698.db2.gz OLBJPOAIIZEFEO-HNNXBMFYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236530039 1099664703 /nfs/dbraw/zinc/66/47/03/1099664703.db2.gz OLBJPOAIIZEFEO-HNNXBMFYSA-N 2 2 311.267 3.330 20 0 DGADLP COc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1Cl ZINC001236599737 1099694814 /nfs/dbraw/zinc/69/48/14/1099694814.db2.gz CMQRCVQGSVKLIP-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1Cl ZINC001236599737 1099694819 /nfs/dbraw/zinc/69/48/19/1099694819.db2.gz CMQRCVQGSVKLIP-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236604850 1099699138 /nfs/dbraw/zinc/69/91/38/1099699138.db2.gz PUVRVDCSUGRHFL-ZDUSSCGKSA-N 2 2 322.758 3.409 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236604850 1099699140 /nfs/dbraw/zinc/69/91/40/1099699140.db2.gz PUVRVDCSUGRHFL-ZDUSSCGKSA-N 2 2 322.758 3.409 20 0 DGADLP CCC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902529 1099864830 /nfs/dbraw/zinc/86/48/30/1099864830.db2.gz GLCIPXHLLRBQAG-UHFFFAOYSA-N 2 2 307.825 3.384 20 0 DGADLP CCC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902529 1099864836 /nfs/dbraw/zinc/86/48/36/1099864836.db2.gz GLCIPXHLLRBQAG-UHFFFAOYSA-N 2 2 307.825 3.384 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCCO1 ZINC001236913054 1099874059 /nfs/dbraw/zinc/87/40/59/1099874059.db2.gz IADQBLALBLQHRH-CYBMUJFWSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCCO1 ZINC001236913054 1099874068 /nfs/dbraw/zinc/87/40/68/1099874068.db2.gz IADQBLALBLQHRH-CYBMUJFWSA-N 2 2 305.809 3.137 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001236917372 1099876381 /nfs/dbraw/zinc/87/63/81/1099876381.db2.gz SXILUGRZPHFWML-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001236917372 1099876397 /nfs/dbraw/zinc/87/63/97/1099876397.db2.gz SXILUGRZPHFWML-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP COCCC[N@H+](Cc1sc2ccccc2c1C)[C@@H]1CC[NH2+]C1 ZINC001236946272 1099886909 /nfs/dbraw/zinc/88/69/09/1099886909.db2.gz KLWOMJWBZWJJSG-OAHLLOKOSA-N 2 2 318.486 3.410 20 0 DGADLP COCCC[N@@H+](Cc1sc2ccccc2c1C)[C@@H]1CC[NH2+]C1 ZINC001236946272 1099886917 /nfs/dbraw/zinc/88/69/17/1099886917.db2.gz KLWOMJWBZWJJSG-OAHLLOKOSA-N 2 2 318.486 3.410 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001237058566 1099950540 /nfs/dbraw/zinc/95/05/40/1099950540.db2.gz QJQGCCCBHRPZEQ-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001237058566 1099950545 /nfs/dbraw/zinc/95/05/45/1099950545.db2.gz QJQGCCCBHRPZEQ-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C[C@H]3C)s2)cc1 ZINC001237203186 1100029778 /nfs/dbraw/zinc/02/97/78/1100029778.db2.gz ATPWYYJXCNIAQT-OCCSQVGLSA-N 2 2 302.443 3.345 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])C[C@H]3C)s2)cc1 ZINC001237203186 1100029784 /nfs/dbraw/zinc/02/97/84/1100029784.db2.gz ATPWYYJXCNIAQT-OCCSQVGLSA-N 2 2 302.443 3.345 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC001237205350 1100031522 /nfs/dbraw/zinc/03/15/22/1100031522.db2.gz SRXAFCFOLOXRSL-OAHLLOKOSA-N 2 2 309.251 3.276 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC001237205350 1100031516 /nfs/dbraw/zinc/03/15/16/1100031516.db2.gz SRXAFCFOLOXRSL-OAHLLOKOSA-N 2 2 309.251 3.276 20 0 DGADLP FC(F)(F)CCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274389 1100053748 /nfs/dbraw/zinc/05/37/48/1100053748.db2.gz BLXUVNBDGOEEMB-UHFFFAOYSA-N 2 2 312.379 3.466 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273587 1100054901 /nfs/dbraw/zinc/05/49/01/1100054901.db2.gz UHBVXXUEKBZJLA-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273587 1100054911 /nfs/dbraw/zinc/05/49/11/1100054911.db2.gz UHBVXXUEKBZJLA-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273587 1100054921 /nfs/dbraw/zinc/05/49/21/1100054921.db2.gz UHBVXXUEKBZJLA-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273587 1100054927 /nfs/dbraw/zinc/05/49/27/1100054927.db2.gz UHBVXXUEKBZJLA-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP Cc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)n1 ZINC001237274899 1100055428 /nfs/dbraw/zinc/05/54/28/1100055428.db2.gz HAMOAJOJBBOLFC-UHFFFAOYSA-N 2 2 307.441 3.027 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@H]2C1 ZINC001237282116 1100058067 /nfs/dbraw/zinc/05/80/67/1100058067.db2.gz LEIORGOOFWNXAU-HUUCEWRRSA-N 2 2 324.415 3.406 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2cccc3c2CCN3)CC1 ZINC001237376716 1100099178 /nfs/dbraw/zinc/09/91/78/1100099178.db2.gz SCYDPYRYPCBOTH-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP C[N@H+](Cc1ccccc1NC(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC001237397049 1100108532 /nfs/dbraw/zinc/10/85/32/1100108532.db2.gz PHZIYPGWILJJKH-UHFFFAOYSA-N 2 2 317.477 3.197 20 0 DGADLP C[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC001237397049 1100108535 /nfs/dbraw/zinc/10/85/35/1100108535.db2.gz PHZIYPGWILJJKH-UHFFFAOYSA-N 2 2 317.477 3.197 20 0 DGADLP Clc1nccc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237418542 1100120994 /nfs/dbraw/zinc/12/09/94/1100120994.db2.gz XNIAQWFUDNOVIP-RDJZCZTQSA-N 2 2 315.848 3.462 20 0 DGADLP Clc1nccc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237418542 1100121001 /nfs/dbraw/zinc/12/10/01/1100121001.db2.gz XNIAQWFUDNOVIP-RDJZCZTQSA-N 2 2 315.848 3.462 20 0 DGADLP C[N@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C1CC[NH+](C)CC1 ZINC001237503436 1100149267 /nfs/dbraw/zinc/14/92/67/1100149267.db2.gz ILCYLAJKJGNCOQ-UHFFFAOYSA-N 2 2 319.836 3.120 20 0 DGADLP C[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C1CC[NH+](C)CC1 ZINC001237503436 1100149269 /nfs/dbraw/zinc/14/92/69/1100149269.db2.gz ILCYLAJKJGNCOQ-UHFFFAOYSA-N 2 2 319.836 3.120 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237505975 1100152031 /nfs/dbraw/zinc/15/20/31/1100152031.db2.gz PUHXWIARINSRML-UHFFFAOYSA-N 2 2 321.852 3.367 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237505975 1100152036 /nfs/dbraw/zinc/15/20/36/1100152036.db2.gz PUHXWIARINSRML-UHFFFAOYSA-N 2 2 321.852 3.367 20 0 DGADLP COc1ccc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001237706704 1100219669 /nfs/dbraw/zinc/21/96/69/1100219669.db2.gz FAOFOYWIRNAHOO-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c3ccoc3ccc1F)C2 ZINC001278166866 1100300258 /nfs/dbraw/zinc/30/02/58/1100300258.db2.gz CHBABRDRGLIFJY-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c3ccoc3ccc1F)C2 ZINC001278166866 1100300267 /nfs/dbraw/zinc/30/02/67/1100300267.db2.gz CHBABRDRGLIFJY-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c3ccoc3ccc1F)C2 ZINC001278166866 1100300275 /nfs/dbraw/zinc/30/02/75/1100300275.db2.gz CHBABRDRGLIFJY-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c3ccoc3ccc1F)C2 ZINC001278166866 1100300284 /nfs/dbraw/zinc/30/02/84/1100300284.db2.gz CHBABRDRGLIFJY-GOSISDBHSA-N 2 2 302.393 3.490 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3ccsc3C)CC2)CC1 ZINC001237973296 1100309989 /nfs/dbraw/zinc/30/99/89/1100309989.db2.gz CNSRDEZIRDIXOZ-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CCC3=CCCCC3)CC2)c1 ZINC001190872703 1100354745 /nfs/dbraw/zinc/35/47/45/1100354745.db2.gz MKHHRTLOSUAQLF-UHFFFAOYSA-N 2 2 301.434 3.103 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](Cc1cccc3c[nH+]cn31)CCC2 ZINC001238112275 1100365214 /nfs/dbraw/zinc/36/52/14/1100365214.db2.gz CPYLGGDKHIRISX-UHFFFAOYSA-N 2 2 307.397 3.291 20 0 DGADLP COc1ccc2c(c1)C[N@H+](Cc1cccc3c[nH+]cn31)CCC2 ZINC001238112275 1100365218 /nfs/dbraw/zinc/36/52/18/1100365218.db2.gz CPYLGGDKHIRISX-UHFFFAOYSA-N 2 2 307.397 3.291 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)[C@@H](c2ccccc2)CO1 ZINC001238115594 1100367370 /nfs/dbraw/zinc/36/73/70/1100367370.db2.gz KBYUSJIXKJVCMP-HNAYVOBHSA-N 2 2 307.397 3.296 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)[C@@H](c2ccccc2)CO1 ZINC001238115594 1100367379 /nfs/dbraw/zinc/36/73/79/1100367379.db2.gz KBYUSJIXKJVCMP-HNAYVOBHSA-N 2 2 307.397 3.296 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238210490 1100391826 /nfs/dbraw/zinc/39/18/26/1100391826.db2.gz QCEPOOSDAGMAHH-UHFFFAOYSA-N 2 2 312.461 3.383 20 0 DGADLP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449124 1100459844 /nfs/dbraw/zinc/45/98/44/1100459844.db2.gz FKOFDHAPJNYBMK-QGZVFWFLSA-N 2 2 317.477 3.343 20 0 DGADLP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449124 1100459845 /nfs/dbraw/zinc/45/98/45/1100459845.db2.gz FKOFDHAPJNYBMK-QGZVFWFLSA-N 2 2 317.477 3.343 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cnc4ccccc4c3)cc2)C1 ZINC001239796398 1100757892 /nfs/dbraw/zinc/75/78/92/1100757892.db2.gz MWCZTVVNKYQURR-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cnc4ccccc4c3)cc2)C1 ZINC001239796398 1100757896 /nfs/dbraw/zinc/75/78/96/1100757896.db2.gz MWCZTVVNKYQURR-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4c(c3)CCCO4)c2)C1 ZINC001240774919 1101132854 /nfs/dbraw/zinc/13/28/54/1101132854.db2.gz NMYBYNAAMBXHKL-LJQANCHMSA-N 2 2 308.425 3.212 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(c3)CCCO4)c2)C1 ZINC001240774919 1101132859 /nfs/dbraw/zinc/13/28/59/1101132859.db2.gz NMYBYNAAMBXHKL-LJQANCHMSA-N 2 2 308.425 3.212 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441081 1101133905 /nfs/dbraw/zinc/13/39/05/1101133905.db2.gz SOUYZTONXRYBOM-ROUUACIJSA-N 2 2 308.510 3.192 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441081 1101133910 /nfs/dbraw/zinc/13/39/10/1101133910.db2.gz SOUYZTONXRYBOM-ROUUACIJSA-N 2 2 308.510 3.192 20 0 DGADLP FC(F)(F)c1cncc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001240791951 1101140862 /nfs/dbraw/zinc/14/08/62/1101140862.db2.gz IGVRDIWSNGOLNE-UHFFFAOYSA-N 2 2 318.302 3.102 20 0 DGADLP CC(C)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001240810634 1101145909 /nfs/dbraw/zinc/14/59/09/1101145909.db2.gz CRVMMADIZATHCJ-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001240810634 1101145913 /nfs/dbraw/zinc/14/59/13/1101145913.db2.gz CRVMMADIZATHCJ-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)OC(=O)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001195603819 1101159812 /nfs/dbraw/zinc/15/98/12/1101159812.db2.gz DBVKLZZSXQQIPN-IAGOWNOFSA-N 2 2 312.498 3.205 20 0 DGADLP CC(C)OC(=O)C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001195603819 1101159817 /nfs/dbraw/zinc/15/98/17/1101159817.db2.gz DBVKLZZSXQQIPN-IAGOWNOFSA-N 2 2 312.498 3.205 20 0 DGADLP CCOc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241028167 1101226409 /nfs/dbraw/zinc/22/64/09/1101226409.db2.gz MCTSKAWVNBRHHR-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241028167 1101226410 /nfs/dbraw/zinc/22/64/10/1101226410.db2.gz MCTSKAWVNBRHHR-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)CCC1(F)F ZINC001205781692 1101352096 /nfs/dbraw/zinc/35/20/96/1101352096.db2.gz XTMRBLNBLDYSTI-AWEZNQCLSA-N 2 2 306.356 3.363 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCC1(F)F ZINC001205781692 1101352109 /nfs/dbraw/zinc/35/21/09/1101352109.db2.gz XTMRBLNBLDYSTI-AWEZNQCLSA-N 2 2 306.356 3.363 20 0 DGADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc(C)c1Cl ZINC001205796695 1101458560 /nfs/dbraw/zinc/45/85/60/1101458560.db2.gz SOLREFGIYXDPAV-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc(C)c1Cl ZINC001205796695 1101458570 /nfs/dbraw/zinc/45/85/70/1101458570.db2.gz SOLREFGIYXDPAV-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241476084 1101493076 /nfs/dbraw/zinc/49/30/76/1101493076.db2.gz BZXLATXZFLEHKX-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241476084 1101493082 /nfs/dbraw/zinc/49/30/82/1101493082.db2.gz BZXLATXZFLEHKX-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2cc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)ccc12 ZINC001241641430 1101603339 /nfs/dbraw/zinc/60/33/39/1101603339.db2.gz QIHIZQVFJBZAKO-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2cc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)ccc12 ZINC001241641430 1101603344 /nfs/dbraw/zinc/60/33/44/1101603344.db2.gz QIHIZQVFJBZAKO-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3ccc4[nH+]ccn4c3C)cc2)CC1 ZINC001241746293 1101677265 /nfs/dbraw/zinc/67/72/65/1101677265.db2.gz UWCSSGHUUJYFRZ-UHFFFAOYSA-N 2 2 320.440 3.452 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4scnc4c3)cc2)C1 ZINC001241869850 1101757245 /nfs/dbraw/zinc/75/72/45/1101757245.db2.gz ULZVBNKNUCJWIC-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4scnc4c3)cc2)C1 ZINC001241869850 1101757252 /nfs/dbraw/zinc/75/72/52/1101757252.db2.gz ULZVBNKNUCJWIC-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(O)(C(C)C)CC1 ZINC001198675937 1101954424 /nfs/dbraw/zinc/95/44/24/1101954424.db2.gz AQEHRAXHUFJVQB-UHFFFAOYSA-N 2 2 313.445 3.164 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cnc3sccc3c2)C1 ZINC001242679846 1102283138 /nfs/dbraw/zinc/28/31/38/1102283138.db2.gz IRKWFEAKPJJBQU-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cnc3sccc3c2)C1 ZINC001242679846 1102283146 /nfs/dbraw/zinc/28/31/46/1102283146.db2.gz IRKWFEAKPJJBQU-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903576 1102453030 /nfs/dbraw/zinc/45/30/30/1102453030.db2.gz QDDWEMJTSJDTOI-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903576 1102453032 /nfs/dbraw/zinc/45/30/32/1102453032.db2.gz QDDWEMJTSJDTOI-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411849 1102580957 /nfs/dbraw/zinc/58/09/57/1102580957.db2.gz SVMGYHCDPKRCJA-RLLQIKCJSA-N 2 2 311.473 3.192 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411849 1102580963 /nfs/dbraw/zinc/58/09/63/1102580963.db2.gz SVMGYHCDPKRCJA-RLLQIKCJSA-N 2 2 311.473 3.192 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411849 1102580970 /nfs/dbraw/zinc/58/09/70/1102580970.db2.gz SVMGYHCDPKRCJA-RLLQIKCJSA-N 2 2 311.473 3.192 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411849 1102580974 /nfs/dbraw/zinc/58/09/74/1102580974.db2.gz SVMGYHCDPKRCJA-RLLQIKCJSA-N 2 2 311.473 3.192 20 0 DGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527757 1102647605 /nfs/dbraw/zinc/64/76/05/1102647605.db2.gz DGLCJAJWQQSVSB-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527757 1102647608 /nfs/dbraw/zinc/64/76/08/1102647608.db2.gz DGLCJAJWQQSVSB-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201527757 1102647610 /nfs/dbraw/zinc/64/76/10/1102647610.db2.gz DGLCJAJWQQSVSB-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201527757 1102647615 /nfs/dbraw/zinc/64/76/15/1102647615.db2.gz DGLCJAJWQQSVSB-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243486970 1102751565 /nfs/dbraw/zinc/75/15/65/1102751565.db2.gz PQHGCANYPGHILQ-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243486970 1102751576 /nfs/dbraw/zinc/75/15/76/1102751576.db2.gz PQHGCANYPGHILQ-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167078 1102866670 /nfs/dbraw/zinc/86/66/70/1102866670.db2.gz KEMCLBFTVUNTLF-CVEARBPZSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167078 1102866685 /nfs/dbraw/zinc/86/66/85/1102866685.db2.gz KEMCLBFTVUNTLF-CVEARBPZSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167078 1102866700 /nfs/dbraw/zinc/86/67/00/1102866700.db2.gz KEMCLBFTVUNTLF-CVEARBPZSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167078 1102866709 /nfs/dbraw/zinc/86/67/09/1102866709.db2.gz KEMCLBFTVUNTLF-CVEARBPZSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167191 1102868429 /nfs/dbraw/zinc/86/84/29/1102868429.db2.gz KEMCLBFTVUNTLF-JKSUJKDBSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167191 1102868446 /nfs/dbraw/zinc/86/84/46/1102868446.db2.gz KEMCLBFTVUNTLF-JKSUJKDBSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167191 1102868461 /nfs/dbraw/zinc/86/84/61/1102868461.db2.gz KEMCLBFTVUNTLF-JKSUJKDBSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167191 1102868478 /nfs/dbraw/zinc/86/84/78/1102868478.db2.gz KEMCLBFTVUNTLF-JKSUJKDBSA-N 2 2 305.491 3.230 20 0 DGADLP FC(F)(F)CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001202320246 1102940764 /nfs/dbraw/zinc/94/07/64/1102940764.db2.gz YVHNOQWTBLVXFZ-VXGBXAGGSA-N 2 2 304.381 3.064 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001325657786 1103094664 /nfs/dbraw/zinc/09/46/64/1103094664.db2.gz DGMBBRFWDUJECJ-KGLIPLIRSA-N 2 2 307.507 3.088 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001325657786 1103094681 /nfs/dbraw/zinc/09/46/81/1103094681.db2.gz DGMBBRFWDUJECJ-KGLIPLIRSA-N 2 2 307.507 3.088 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC001326035635 1103189047 /nfs/dbraw/zinc/18/90/47/1103189047.db2.gz LBPHRGDILCWNKK-ZJUUUORDSA-N 2 2 303.219 3.237 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244145538 1103234497 /nfs/dbraw/zinc/23/44/97/1103234497.db2.gz XOLDQIMIMDWWDM-LJQANCHMSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244145538 1103234508 /nfs/dbraw/zinc/23/45/08/1103234508.db2.gz XOLDQIMIMDWWDM-LJQANCHMSA-N 2 2 307.441 3.467 20 0 DGADLP C[C@@H](c1nc([C@H]([NH3+])c2ccccc2)no1)[NH+]1CCCCCC1 ZINC001326487071 1103335354 /nfs/dbraw/zinc/33/53/54/1103335354.db2.gz RSCAMGOQUZFHOI-DZGCQCFKSA-N 2 2 300.406 3.055 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnc(C3CC3)nc2)[nH+]1 ZINC001326785830 1103443628 /nfs/dbraw/zinc/44/36/28/1103443628.db2.gz FZDBFJQKGOYICZ-QGZVFWFLSA-N 2 2 323.444 3.134 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnc(C3CC3)nc2)[nH+]1 ZINC001326785830 1103443633 /nfs/dbraw/zinc/44/36/33/1103443633.db2.gz FZDBFJQKGOYICZ-QGZVFWFLSA-N 2 2 323.444 3.134 20 0 DGADLP Nc1c(Cl)cccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245180467 1103893642 /nfs/dbraw/zinc/89/36/42/1103893642.db2.gz HDSGHWZOQJOACU-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1c(Cl)cccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245180467 1103893652 /nfs/dbraw/zinc/89/36/52/1103893652.db2.gz HDSGHWZOQJOACU-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP c1[nH+]cn(Cc2ccccc2)c1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001245198197 1103902045 /nfs/dbraw/zinc/90/20/45/1103902045.db2.gz UMHNIRUMWUXNAW-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP CCOc1cccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001328321550 1103911944 /nfs/dbraw/zinc/91/19/44/1103911944.db2.gz AOUQMTZHWMGRCF-UHFFFAOYSA-N 2 2 322.368 3.227 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cncc(OCC4CC4)c3)cc2)C1 ZINC001245247073 1103935433 /nfs/dbraw/zinc/93/54/33/1103935433.db2.gz NDRKNIWTJRWQJF-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cncc(OCC4CC4)c3)cc2)C1 ZINC001245247073 1103935446 /nfs/dbraw/zinc/93/54/46/1103935446.db2.gz NDRKNIWTJRWQJF-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP CC(C)[N@H+](Cc1ccc(N2CCCC2)o1)C1CC[NH+](C)CC1 ZINC001137071749 1103953898 /nfs/dbraw/zinc/95/38/98/1103953898.db2.gz AETLTACTHKKNRP-UHFFFAOYSA-N 2 2 305.466 3.184 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(N2CCCC2)o1)C1CC[NH+](C)CC1 ZINC001137071749 1103953903 /nfs/dbraw/zinc/95/39/03/1103953903.db2.gz AETLTACTHKKNRP-UHFFFAOYSA-N 2 2 305.466 3.184 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(C)c1 ZINC001137617383 1103983934 /nfs/dbraw/zinc/98/39/34/1103983934.db2.gz FTCLJPVKYUMFTI-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(C)c1 ZINC001137617383 1103983938 /nfs/dbraw/zinc/98/39/38/1103983938.db2.gz FTCLJPVKYUMFTI-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001137154580 1104019314 /nfs/dbraw/zinc/01/93/14/1104019314.db2.gz MKPDJEFGJQWGGX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001137154580 1104019324 /nfs/dbraw/zinc/01/93/24/1104019324.db2.gz MKPDJEFGJQWGGX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001137154580 1104019336 /nfs/dbraw/zinc/01/93/36/1104019336.db2.gz MKPDJEFGJQWGGX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001137154580 1104019350 /nfs/dbraw/zinc/01/93/50/1104019350.db2.gz MKPDJEFGJQWGGX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CN(C)c1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001245409989 1104034371 /nfs/dbraw/zinc/03/43/71/1104034371.db2.gz KYLMRQIRWPJUPG-UHFFFAOYSA-N 2 2 311.429 3.083 20 0 DGADLP FC1(F)[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001329548319 1104313147 /nfs/dbraw/zinc/31/31/47/1104313147.db2.gz LCRWUUYKYFSUMG-BMFZPTHFSA-N 2 2 303.356 3.396 20 0 DGADLP Fc1ccc(OC(F)(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246076766 1104371559 /nfs/dbraw/zinc/37/15/59/1104371559.db2.gz PDFFTIAUMHSVDL-FUNVUKJBSA-N 2 2 318.314 3.097 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246092089 1104381068 /nfs/dbraw/zinc/38/10/68/1104381068.db2.gz HXZVCZLRDSUCSD-GLQYFDAESA-N 2 2 317.235 3.140 20 0 DGADLP Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)C2 ZINC001246142346 1104404833 /nfs/dbraw/zinc/40/48/33/1104404833.db2.gz NJEUAVCPXPVYDF-AHRSYUTCSA-N 2 2 310.416 3.376 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246146156 1104405960 /nfs/dbraw/zinc/40/59/60/1104405960.db2.gz ZAPYNZWDRJMRSH-ZTNFWEORSA-N 2 2 310.441 3.319 20 0 DGADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@@H]2CSc3ccccc3C2)cc1 ZINC001246146343 1104406228 /nfs/dbraw/zinc/40/62/28/1104406228.db2.gz ZZDWGSVFHYAXFQ-SCTDSRPQSA-N 2 2 310.466 3.396 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246160606 1104411412 /nfs/dbraw/zinc/41/14/12/1104411412.db2.gz UYMGGGVHERRTKX-MSOLQXFVSA-N 2 2 316.395 3.418 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246184883 1104428465 /nfs/dbraw/zinc/42/84/65/1104428465.db2.gz VVNQTFSFPJFFTL-NHYWBVRUSA-N 2 2 302.796 3.091 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)CC[NH2+]1 ZINC001246213694 1104438480 /nfs/dbraw/zinc/43/84/80/1104438480.db2.gz ZHHOJDHDNXQDTE-CHWSQXEVSA-N 2 2 315.230 3.208 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)C[C@H](C)[NH2+]1 ZINC001246222914 1104445070 /nfs/dbraw/zinc/44/50/70/1104445070.db2.gz OUVBSDLRFBFRMK-PEGIJTEDSA-N 2 2 320.330 3.343 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2ccc(C(F)(F)F)cc2F)C[C@@H](C)[NH2+]1 ZINC001246228927 1104447940 /nfs/dbraw/zinc/44/79/40/1104447940.db2.gz YXEVMAQHNMWREA-NXEZZACHSA-N 2 2 304.331 3.463 20 0 DGADLP COc1cc(F)ccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246261399 1104464078 /nfs/dbraw/zinc/46/40/78/1104464078.db2.gz DGIUITXUPSZNFF-ROUUACIJSA-N 2 2 314.404 3.417 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C[NH2+]1 ZINC001246264356 1104465963 /nfs/dbraw/zinc/46/59/63/1104465963.db2.gz KKOGOZPFVJWMLE-RIEGTJTDSA-N 2 2 309.251 3.167 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246269324 1104467274 /nfs/dbraw/zinc/46/72/74/1104467274.db2.gz QNNWTLVWUMININ-XHDPSFHLSA-N 2 2 302.796 3.484 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246277685 1104470741 /nfs/dbraw/zinc/47/07/41/1104470741.db2.gz AJQHZJJSPAJDQP-YJBOKZPZSA-N 2 2 302.368 3.112 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001246279180 1104470925 /nfs/dbraw/zinc/47/09/25/1104470925.db2.gz KVPXWLLGIIDINX-DLBZAZTESA-N 2 2 312.413 3.026 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)C[NH2+]1 ZINC001246284972 1104473974 /nfs/dbraw/zinc/47/39/74/1104473974.db2.gz DBIXIUZUKGPJCI-XWIAVFTESA-N 2 2 306.425 3.024 20 0 DGADLP Fc1c(Cl)cc(C(F)(F)F)cc1C[NH2+]C1CC[NH2+]CC1 ZINC001246345180 1104500279 /nfs/dbraw/zinc/50/02/79/1104500279.db2.gz CWZMXOZLCDEYEA-UHFFFAOYSA-N 2 2 310.722 3.340 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC[NH2+]1 ZINC001246390129 1104521175 /nfs/dbraw/zinc/52/11/75/1104521175.db2.gz WRNBUZXVTORNKX-QZTJIDSGSA-N 3 2 307.526 3.281 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246401291 1104527106 /nfs/dbraw/zinc/52/71/06/1104527106.db2.gz BUTWPWHKAOUHHD-OAHLLOKOSA-N 2 2 324.415 3.441 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535104 1104581722 /nfs/dbraw/zinc/58/17/22/1104581722.db2.gz VVARZNZMPCKLAQ-SWLSCSKDSA-N 2 2 323.278 3.193 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535104 1104581728 /nfs/dbraw/zinc/58/17/28/1104581728.db2.gz VVARZNZMPCKLAQ-SWLSCSKDSA-N 2 2 323.278 3.193 20 0 DGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509900 1104570889 /nfs/dbraw/zinc/57/08/89/1104570889.db2.gz KKPFNRSLSLTGGZ-FOIQADDNSA-N 2 2 312.457 3.478 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001246513114 1104571923 /nfs/dbraw/zinc/57/19/23/1104571923.db2.gz VQCKIWSWUUCTCN-AEFFLSMTSA-N 2 2 316.832 3.105 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2CCc3c(C)cccc3C2)c1 ZINC001246511797 1104572872 /nfs/dbraw/zinc/57/28/72/1104572872.db2.gz RWRMITCHCBJPRD-FXAWDEMLSA-N 2 2 310.441 3.151 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246517758 1104574563 /nfs/dbraw/zinc/57/45/63/1104574563.db2.gz BIDNJRWNLAYIQH-XKQJLSEDSA-N 2 2 306.450 3.277 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551039 1104589745 /nfs/dbraw/zinc/58/97/45/1104589745.db2.gz KAPHXLJOCKOYLZ-NEWSRXKRSA-N 3 2 319.468 3.131 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551039 1104589752 /nfs/dbraw/zinc/58/97/52/1104589752.db2.gz KAPHXLJOCKOYLZ-NEWSRXKRSA-N 3 2 319.468 3.131 20 0 DGADLP CC[C@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062306 1104600566 /nfs/dbraw/zinc/60/05/66/1104600566.db2.gz VJGZUSCJMCZBJT-LPHOPBHVSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062306 1104600570 /nfs/dbraw/zinc/60/05/70/1104600570.db2.gz VJGZUSCJMCZBJT-LPHOPBHVSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062306 1104600572 /nfs/dbraw/zinc/60/05/72/1104600572.db2.gz VJGZUSCJMCZBJT-LPHOPBHVSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062306 1104600576 /nfs/dbraw/zinc/60/05/76/1104600576.db2.gz VJGZUSCJMCZBJT-LPHOPBHVSA-N 2 2 317.477 3.121 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572678 1104601779 /nfs/dbraw/zinc/60/17/79/1104601779.db2.gz ASVSPUCHZRNJQQ-PBHICJAKSA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572678 1104601782 /nfs/dbraw/zinc/60/17/82/1104601782.db2.gz ASVSPUCHZRNJQQ-PBHICJAKSA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582389 1104605476 /nfs/dbraw/zinc/60/54/76/1104605476.db2.gz RWWXVKWRBZBNDR-SJORKVTESA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582389 1104605482 /nfs/dbraw/zinc/60/54/82/1104605482.db2.gz RWWXVKWRBZBNDR-SJORKVTESA-N 2 2 310.844 3.350 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246601386 1104617834 /nfs/dbraw/zinc/61/78/34/1104617834.db2.gz IFEUOOCBHTZSTK-CZUORRHYSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246601386 1104617837 /nfs/dbraw/zinc/61/78/37/1104617837.db2.gz IFEUOOCBHTZSTK-CZUORRHYSA-N 2 2 312.379 3.464 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246606259 1104622228 /nfs/dbraw/zinc/62/22/28/1104622228.db2.gz DJGXDZOPYOWIRK-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246606259 1104622234 /nfs/dbraw/zinc/62/22/34/1104622234.db2.gz DJGXDZOPYOWIRK-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246611096 1104627012 /nfs/dbraw/zinc/62/70/12/1104627012.db2.gz RRWBZSZKKDBXLL-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246611096 1104627016 /nfs/dbraw/zinc/62/70/16/1104627016.db2.gz RRWBZSZKKDBXLL-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613480 1104627661 /nfs/dbraw/zinc/62/76/61/1104627661.db2.gz JKXCQAGXHAYFSK-BBRMVZONSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613480 1104627668 /nfs/dbraw/zinc/62/76/68/1104627668.db2.gz JKXCQAGXHAYFSK-BBRMVZONSA-N 2 2 323.278 3.208 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615268 1104630045 /nfs/dbraw/zinc/63/00/45/1104630045.db2.gz RONQPEBMBBFQGG-SJLPKXTDSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615268 1104630047 /nfs/dbraw/zinc/63/00/47/1104630047.db2.gz RONQPEBMBBFQGG-SJLPKXTDSA-N 2 2 310.482 3.107 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001246616399 1104630217 /nfs/dbraw/zinc/63/02/17/1104630217.db2.gz BLDMVSJAWCDHSV-COPCDDAFSA-N 2 2 318.464 3.424 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001246616399 1104630219 /nfs/dbraw/zinc/63/02/19/1104630219.db2.gz BLDMVSJAWCDHSV-COPCDDAFSA-N 2 2 318.464 3.424 20 0 DGADLP CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3nccn3CC)(C1)CCC2 ZINC001275117540 1104631637 /nfs/dbraw/zinc/63/16/37/1104631637.db2.gz IYMUWGIEHYKAHA-ZWKOTPCHSA-N 2 2 304.482 3.228 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CC[C@H]3[NH2+]C[C@H]3C1)CC2 ZINC001246628193 1104634071 /nfs/dbraw/zinc/63/40/71/1104634071.db2.gz BFRFDWRVDUGIOA-HEHGZKQESA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CC[C@H]3[NH2+]C[C@H]3C1)CC2 ZINC001246628193 1104634078 /nfs/dbraw/zinc/63/40/78/1104634078.db2.gz BFRFDWRVDUGIOA-HEHGZKQESA-N 2 2 311.256 3.144 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650459 1104647866 /nfs/dbraw/zinc/64/78/66/1104647866.db2.gz IJGKQKGSMXTGQT-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650459 1104647870 /nfs/dbraw/zinc/64/78/70/1104647870.db2.gz IJGKQKGSMXTGQT-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@@H]31)C2 ZINC001246662577 1104652490 /nfs/dbraw/zinc/65/24/90/1104652490.db2.gz IHXUUAPGEOGBEA-WQVCFCJDSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@@H]31)C2 ZINC001246662577 1104652497 /nfs/dbraw/zinc/65/24/97/1104652497.db2.gz IHXUUAPGEOGBEA-WQVCFCJDSA-N 2 2 311.256 3.287 20 0 DGADLP CC1(C)CC([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC(C)(C)O1 ZINC001246660106 1104653184 /nfs/dbraw/zinc/65/31/84/1104653184.db2.gz ARLLHOGTQGMNLK-ZWKOTPCHSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)CC([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC(C)(C)O1 ZINC001246660106 1104653190 /nfs/dbraw/zinc/65/31/90/1104653190.db2.gz ARLLHOGTQGMNLK-ZWKOTPCHSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1CC([N@@H+]2CCc3cccc(Br)c3C2)C[C@H](C)[NH2+]1 ZINC001246667525 1104655966 /nfs/dbraw/zinc/65/59/66/1104655966.db2.gz GUZNYLIJGONRDN-RYUDHWBXSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@H]1CC([N@H+]2CCc3cccc(Br)c3C2)C[C@H](C)[NH2+]1 ZINC001246667525 1104655971 /nfs/dbraw/zinc/65/59/71/1104655971.db2.gz GUZNYLIJGONRDN-RYUDHWBXSA-N 2 2 323.278 3.336 20 0 DGADLP FC(F)(F)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275163755 1104659362 /nfs/dbraw/zinc/65/93/62/1104659362.db2.gz XGDSGZWLVACLRY-HNNXBMFYSA-N 2 2 315.383 3.255 20 0 DGADLP FC(F)(F)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275163755 1104659366 /nfs/dbraw/zinc/65/93/66/1104659366.db2.gz XGDSGZWLVACLRY-HNNXBMFYSA-N 2 2 315.383 3.255 20 0 DGADLP FC(F)(F)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275163755 1104659370 /nfs/dbraw/zinc/65/93/70/1104659370.db2.gz XGDSGZWLVACLRY-HNNXBMFYSA-N 2 2 315.383 3.255 20 0 DGADLP FC(F)(F)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275163755 1104659374 /nfs/dbraw/zinc/65/93/74/1104659374.db2.gz XGDSGZWLVACLRY-HNNXBMFYSA-N 2 2 315.383 3.255 20 0 DGADLP FC(F)(F)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275163757 1104660293 /nfs/dbraw/zinc/66/02/93/1104660293.db2.gz XGDSGZWLVACLRY-OAHLLOKOSA-N 2 2 315.383 3.255 20 0 DGADLP FC(F)(F)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275163757 1104660298 /nfs/dbraw/zinc/66/02/98/1104660298.db2.gz XGDSGZWLVACLRY-OAHLLOKOSA-N 2 2 315.383 3.255 20 0 DGADLP FC(F)(F)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275163757 1104660302 /nfs/dbraw/zinc/66/03/02/1104660302.db2.gz XGDSGZWLVACLRY-OAHLLOKOSA-N 2 2 315.383 3.255 20 0 DGADLP FC(F)(F)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275163757 1104660307 /nfs/dbraw/zinc/66/03/07/1104660307.db2.gz XGDSGZWLVACLRY-OAHLLOKOSA-N 2 2 315.383 3.255 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCN(C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774416 1104669084 /nfs/dbraw/zinc/66/90/84/1104669084.db2.gz FARGNRQHPIZNRZ-NMLBUPMWSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCN(C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774416 1104669088 /nfs/dbraw/zinc/66/90/88/1104669088.db2.gz FARGNRQHPIZNRZ-NMLBUPMWSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774417 1104669239 /nfs/dbraw/zinc/66/92/39/1104669239.db2.gz FARGNRQHPIZNRZ-QWFCFKBJSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246774417 1104669243 /nfs/dbraw/zinc/66/92/43/1104669243.db2.gz FARGNRQHPIZNRZ-QWFCFKBJSA-N 2 2 315.505 3.284 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@@H+](CC4CCC4)C3)C2)c1 ZINC001275182504 1104670107 /nfs/dbraw/zinc/67/01/07/1104670107.db2.gz YHDAZWUDJFCTNA-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@H+](CC4CCC4)C3)C2)c1 ZINC001275182504 1104670111 /nfs/dbraw/zinc/67/01/11/1104670111.db2.gz YHDAZWUDJFCTNA-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@@]3(CCC[NH+](CC4CCC4)C3)C2)c1 ZINC001275182504 1104670115 /nfs/dbraw/zinc/67/01/15/1104670115.db2.gz YHDAZWUDJFCTNA-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC[NH+](CC4CCC4)C3)C2)c1 ZINC001275182504 1104670119 /nfs/dbraw/zinc/67/01/19/1104670119.db2.gz YHDAZWUDJFCTNA-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP Cc1ccc2n[nH]c(C[NH+]3CCC[C@]4(CCC[N@@H+](C)C4)C3)c2c1 ZINC001275204827 1104676979 /nfs/dbraw/zinc/67/69/79/1104676979.db2.gz IHLUMFODJCNQMK-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc2n[nH]c(C[NH+]3CCC[C@]4(CCC[N@H+](C)C4)C3)c2c1 ZINC001275204827 1104676982 /nfs/dbraw/zinc/67/69/82/1104676982.db2.gz IHLUMFODJCNQMK-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc2n[nH]c(C[N@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)c2c1 ZINC001275204827 1104676983 /nfs/dbraw/zinc/67/69/83/1104676983.db2.gz IHLUMFODJCNQMK-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc2n[nH]c(C[N@@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)c2c1 ZINC001275204827 1104676986 /nfs/dbraw/zinc/67/69/86/1104676986.db2.gz IHLUMFODJCNQMK-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP CC[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246795916 1104678961 /nfs/dbraw/zinc/67/89/61/1104678961.db2.gz JRUFVSSKMCMWEA-PKOBYXMFSA-N 3 2 319.468 3.001 20 0 DGADLP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246795916 1104678965 /nfs/dbraw/zinc/67/89/65/1104678965.db2.gz JRUFVSSKMCMWEA-PKOBYXMFSA-N 3 2 319.468 3.001 20 0 DGADLP CC[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246795914 1104679757 /nfs/dbraw/zinc/67/97/57/1104679757.db2.gz JRUFVSSKMCMWEA-IEBWSBKVSA-N 3 2 319.468 3.001 20 0 DGADLP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246795914 1104679762 /nfs/dbraw/zinc/67/97/62/1104679762.db2.gz JRUFVSSKMCMWEA-IEBWSBKVSA-N 3 2 319.468 3.001 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CCc2ccc(Br)cc2)C1 ZINC001246815217 1104688760 /nfs/dbraw/zinc/68/87/60/1104688760.db2.gz VNZBEXOSUGVHCM-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)CCc2ccc(Br)cc2)C1 ZINC001246815217 1104688765 /nfs/dbraw/zinc/68/87/65/1104688765.db2.gz VNZBEXOSUGVHCM-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840611 1104701747 /nfs/dbraw/zinc/70/17/47/1104701747.db2.gz OLYLATXFAOXZIJ-GUDVDZBRSA-N 2 2 302.462 3.073 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840611 1104701754 /nfs/dbraw/zinc/70/17/54/1104701754.db2.gz OLYLATXFAOXZIJ-GUDVDZBRSA-N 2 2 302.462 3.073 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)C[C@H](C)[NH2+]1 ZINC001246843439 1104702653 /nfs/dbraw/zinc/70/26/53/1104702653.db2.gz JWJLOZFETRVCQM-LTCOOKNTSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)C[C@H](C)[NH2+]1 ZINC001246843439 1104702660 /nfs/dbraw/zinc/70/26/60/1104702660.db2.gz JWJLOZFETRVCQM-LTCOOKNTSA-N 2 2 322.880 3.416 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1)[C@@H]1CCCC[NH2+]C1 ZINC001246842664 1104703638 /nfs/dbraw/zinc/70/36/38/1104703638.db2.gz ZLPKMMWQWRSEJJ-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCCC[NH2+]C1 ZINC001246842664 1104703647 /nfs/dbraw/zinc/70/36/47/1104703647.db2.gz ZLPKMMWQWRSEJJ-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH+]2CC3(C2)CC(F)(F)CS3)CC[NH2+]1 ZINC001246857473 1104710971 /nfs/dbraw/zinc/71/09/71/1104710971.db2.gz ZSGUNUPMXCSTRC-CHWSQXEVSA-N 2 2 304.450 3.124 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874209 1104717178 /nfs/dbraw/zinc/71/71/78/1104717178.db2.gz WCSGCSRPUAHOBW-IAGOWNOFSA-N 2 2 320.477 3.446 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874209 1104717186 /nfs/dbraw/zinc/71/71/86/1104717186.db2.gz WCSGCSRPUAHOBW-IAGOWNOFSA-N 2 2 320.477 3.446 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCOC[C@H]2Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246913343 1104735029 /nfs/dbraw/zinc/73/50/29/1104735029.db2.gz IIGNJOFIGVGCSM-QWFCFKBJSA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCOC[C@H]2Cc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246913343 1104735038 /nfs/dbraw/zinc/73/50/38/1104735038.db2.gz IIGNJOFIGVGCSM-QWFCFKBJSA-N 2 2 316.489 3.239 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920103 1104739252 /nfs/dbraw/zinc/73/92/52/1104739252.db2.gz JEWSCXJOBVTHSM-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920103 1104739257 /nfs/dbraw/zinc/73/92/57/1104739257.db2.gz JEWSCXJOBVTHSM-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP CC1(C)C[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246938728 1104744779 /nfs/dbraw/zinc/74/47/79/1104744779.db2.gz SUVKXXAUGOEJMO-MSOLQXFVSA-N 2 2 320.452 3.337 20 0 DGADLP CC1(C)C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246938728 1104744783 /nfs/dbraw/zinc/74/47/83/1104744783.db2.gz SUVKXXAUGOEJMO-MSOLQXFVSA-N 2 2 320.452 3.337 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246949385 1104749585 /nfs/dbraw/zinc/74/95/85/1104749585.db2.gz OWOSZNQNQOGXKJ-IEBWSBKVSA-N 2 2 319.468 3.259 20 0 DGADLP CC[C@@H]1C[C@H]([NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000620 1104771096 /nfs/dbraw/zinc/77/10/96/1104771096.db2.gz FWBOTQWCSSXHBS-ATZDWAIDSA-N 2 2 319.468 3.035 20 0 DGADLP CC[C@@H]1C[C@H]([NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000622 1104771850 /nfs/dbraw/zinc/77/18/50/1104771850.db2.gz FWBOTQWCSSXHBS-KFKAGJAMSA-N 2 2 319.468 3.035 20 0 DGADLP c1c2[nH]c(CC[NH2+]C3CCCCC3)[nH+]c2cc2c1OCCCO2 ZINC001247009419 1104775937 /nfs/dbraw/zinc/77/59/37/1104775937.db2.gz BYEFDVHBWISHOI-UHFFFAOYSA-N 2 2 315.417 3.189 20 0 DGADLP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606848 1104831238 /nfs/dbraw/zinc/83/12/38/1104831238.db2.gz HXBSUWNWGIPNEB-QWGSZXSUSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606848 1104831247 /nfs/dbraw/zinc/83/12/47/1104831247.db2.gz HXBSUWNWGIPNEB-QWGSZXSUSA-N 2 2 317.477 3.413 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247369627 1104882331 /nfs/dbraw/zinc/88/23/31/1104882331.db2.gz ZZJZICFAXWTWIN-INIZCTEOSA-N 2 2 323.400 3.468 20 0 DGADLP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247369627 1104882340 /nfs/dbraw/zinc/88/23/40/1104882340.db2.gz ZZJZICFAXWTWIN-INIZCTEOSA-N 2 2 323.400 3.468 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823073 1104922761 /nfs/dbraw/zinc/92/27/61/1104922761.db2.gz WHGANTNESPKWMM-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823073 1104922764 /nfs/dbraw/zinc/92/27/64/1104922764.db2.gz WHGANTNESPKWMM-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823073 1104922766 /nfs/dbraw/zinc/92/27/66/1104922766.db2.gz WHGANTNESPKWMM-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823073 1104922770 /nfs/dbraw/zinc/92/27/70/1104922770.db2.gz WHGANTNESPKWMM-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275887044 1104945318 /nfs/dbraw/zinc/94/53/18/1104945318.db2.gz JSKGOIOIUDXZJY-HNNXBMFYSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275887044 1104945322 /nfs/dbraw/zinc/94/53/22/1104945322.db2.gz JSKGOIOIUDXZJY-HNNXBMFYSA-N 2 2 305.466 3.103 20 0 DGADLP Oc1ccc(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001275893766 1104946486 /nfs/dbraw/zinc/94/64/86/1104946486.db2.gz CZCPGLGERYOYOC-UHFFFAOYSA-N 2 2 300.446 3.233 20 0 DGADLP Oc1ccc(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001275893766 1104946489 /nfs/dbraw/zinc/94/64/89/1104946489.db2.gz CZCPGLGERYOYOC-UHFFFAOYSA-N 2 2 300.446 3.233 20 0 DGADLP CC1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CCC([NH3+])CC1 ZINC001247639109 1104947435 /nfs/dbraw/zinc/94/74/35/1104947435.db2.gz PHDAUIWKBHTJTN-UHFFFAOYSA-N 2 2 323.400 3.081 20 0 DGADLP COc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276083850 1105010913 /nfs/dbraw/zinc/01/09/13/1105010913.db2.gz OVXHUBWAZPBKCJ-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276083850 1105010919 /nfs/dbraw/zinc/01/09/19/1105010919.db2.gz OVXHUBWAZPBKCJ-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)ccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276083850 1105010925 /nfs/dbraw/zinc/01/09/25/1105010925.db2.gz OVXHUBWAZPBKCJ-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)ccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276083850 1105010931 /nfs/dbraw/zinc/01/09/31/1105010931.db2.gz OVXHUBWAZPBKCJ-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)cc1OC(C)C ZINC001276125551 1105024306 /nfs/dbraw/zinc/02/43/06/1105024306.db2.gz JNELXGNIGFCMAT-ALOPSCKCSA-N 2 2 318.461 3.197 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)cc1OC(C)C ZINC001276125551 1105024309 /nfs/dbraw/zinc/02/43/09/1105024309.db2.gz JNELXGNIGFCMAT-ALOPSCKCSA-N 2 2 318.461 3.197 20 0 DGADLP Clc1c(C[N@H+]2CCc3[nH+]ccn3CC2)cnc2ccccc12 ZINC001248813836 1105168448 /nfs/dbraw/zinc/16/84/48/1105168448.db2.gz NGVRKTLPMGMWMP-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP Clc1c(C[N@@H+]2CCc3[nH+]ccn3CC2)cnc2ccccc12 ZINC001248813836 1105168451 /nfs/dbraw/zinc/16/84/51/1105168451.db2.gz NGVRKTLPMGMWMP-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP CC(C)C[C@H](C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249253616 1105257528 /nfs/dbraw/zinc/25/75/28/1105257528.db2.gz INTLCQLGJCNETP-CQSZACIVSA-N 2 2 311.389 3.011 20 0 DGADLP c1cn(-c2cccc(NC3=CC[C@@H]([NH+]4CCOCC4)CC3)c2)c[nH+]1 ZINC001249554346 1105311425 /nfs/dbraw/zinc/31/14/25/1105311425.db2.gz AXVROFBEGWKRJS-GOSISDBHSA-N 2 2 324.428 3.053 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccn1 ZINC001250009840 1105426736 /nfs/dbraw/zinc/42/67/36/1105426736.db2.gz OKGDEIBUYDVNQO-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccn1 ZINC001250009840 1105426739 /nfs/dbraw/zinc/42/67/39/1105426739.db2.gz OKGDEIBUYDVNQO-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)c1cccs1 ZINC001252011791 1105724671 /nfs/dbraw/zinc/72/46/71/1105724671.db2.gz XMXQHVZPVALUMW-LLVKDONJSA-N 2 2 312.398 3.379 20 0 DGADLP CCCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001252096088 1105737862 /nfs/dbraw/zinc/73/78/62/1105737862.db2.gz IRYCGUQXVUVZKF-LJQANCHMSA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001252096088 1105737869 /nfs/dbraw/zinc/73/78/69/1105737869.db2.gz IRYCGUQXVUVZKF-LJQANCHMSA-N 2 2 322.468 3.273 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001252859157 1105845197 /nfs/dbraw/zinc/84/51/97/1105845197.db2.gz BCYSVWKZLHTYIE-RTBURBONSA-N 2 2 316.420 3.142 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC001253208804 1105903297 /nfs/dbraw/zinc/90/32/97/1105903297.db2.gz SYGOXGYGBLHUDI-IAQYHMDHSA-N 2 2 319.276 3.347 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC001253208806 1105903978 /nfs/dbraw/zinc/90/39/78/1105903978.db2.gz SYGOXGYGBLHUDI-NHYWBVRUSA-N 2 2 319.276 3.347 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC001253747918 1105979338 /nfs/dbraw/zinc/97/93/38/1105979338.db2.gz YGHKBLIYPGBFKR-GOSISDBHSA-N 2 2 322.468 3.095 20 0 DGADLP FC1(F)CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001254221351 1106038613 /nfs/dbraw/zinc/03/86/13/1106038613.db2.gz YTFCCEGMBKSGIU-GASCZTMLSA-N 2 2 321.415 3.023 20 0 DGADLP FC1(F)CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001254221351 1106038620 /nfs/dbraw/zinc/03/86/20/1106038620.db2.gz YTFCCEGMBKSGIU-GASCZTMLSA-N 2 2 321.415 3.023 20 0 DGADLP FC1(F)CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001254221351 1106038626 /nfs/dbraw/zinc/03/86/26/1106038626.db2.gz YTFCCEGMBKSGIU-GASCZTMLSA-N 2 2 321.415 3.023 20 0 DGADLP FC1(F)CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001254221351 1106038633 /nfs/dbraw/zinc/03/86/33/1106038633.db2.gz YTFCCEGMBKSGIU-GASCZTMLSA-N 2 2 321.415 3.023 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516294 1106091491 /nfs/dbraw/zinc/09/14/91/1106091491.db2.gz LRCWKPVBONUXPD-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516294 1106091499 /nfs/dbraw/zinc/09/14/99/1106091499.db2.gz LRCWKPVBONUXPD-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516294 1106091505 /nfs/dbraw/zinc/09/15/05/1106091505.db2.gz LRCWKPVBONUXPD-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516294 1106091512 /nfs/dbraw/zinc/09/15/12/1106091512.db2.gz LRCWKPVBONUXPD-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523607 1106091773 /nfs/dbraw/zinc/09/17/73/1106091773.db2.gz QAEMAIWHARZSOV-CYBMUJFWSA-N 2 2 309.251 3.249 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523607 1106091779 /nfs/dbraw/zinc/09/17/79/1106091779.db2.gz QAEMAIWHARZSOV-CYBMUJFWSA-N 2 2 309.251 3.249 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523607 1106091786 /nfs/dbraw/zinc/09/17/86/1106091786.db2.gz QAEMAIWHARZSOV-CYBMUJFWSA-N 2 2 309.251 3.249 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001254523607 1106091790 /nfs/dbraw/zinc/09/17/90/1106091790.db2.gz QAEMAIWHARZSOV-CYBMUJFWSA-N 2 2 309.251 3.249 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)c2ccccc12 ZINC001254842174 1106146758 /nfs/dbraw/zinc/14/67/58/1106146758.db2.gz DDGUDTNWUHEJEM-KRWDZBQOSA-N 2 2 310.441 3.422 20 0 DGADLP CC1(C)C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001255137962 1106188477 /nfs/dbraw/zinc/18/84/77/1106188477.db2.gz ZFLBSYYPIPXPCN-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001255137962 1106188478 /nfs/dbraw/zinc/18/84/78/1106188478.db2.gz ZFLBSYYPIPXPCN-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001255137962 1106188479 /nfs/dbraw/zinc/18/84/79/1106188479.db2.gz ZFLBSYYPIPXPCN-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001255137962 1106188480 /nfs/dbraw/zinc/18/84/80/1106188480.db2.gz ZFLBSYYPIPXPCN-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255143338 1106189428 /nfs/dbraw/zinc/18/94/28/1106189428.db2.gz KFEUBZFYNUYDCX-HNULKUCHSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255143338 1106189430 /nfs/dbraw/zinc/18/94/30/1106189430.db2.gz KFEUBZFYNUYDCX-HNULKUCHSA-N 2 2 314.473 3.291 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147134 1106190318 /nfs/dbraw/zinc/19/03/18/1106190318.db2.gz MMNDEOXCDHFMHC-ZRNYENFQSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147134 1106190322 /nfs/dbraw/zinc/19/03/22/1106190322.db2.gz MMNDEOXCDHFMHC-ZRNYENFQSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255147134 1106190323 /nfs/dbraw/zinc/19/03/23/1106190323.db2.gz MMNDEOXCDHFMHC-ZRNYENFQSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255147134 1106190326 /nfs/dbraw/zinc/19/03/26/1106190326.db2.gz MMNDEOXCDHFMHC-ZRNYENFQSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@H+](Cc1ccncn1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150724 1106190818 /nfs/dbraw/zinc/19/08/18/1106190818.db2.gz YBEMRBAVJSRBJC-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP C[N@@H+](Cc1ccncn1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150724 1106190821 /nfs/dbraw/zinc/19/08/21/1106190821.db2.gz YBEMRBAVJSRBJC-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1ccncn1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150724 1106190824 /nfs/dbraw/zinc/19/08/24/1106190824.db2.gz YBEMRBAVJSRBJC-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1ccncn1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150724 1106190826 /nfs/dbraw/zinc/19/08/26/1106190826.db2.gz YBEMRBAVJSRBJC-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147133 1106191092 /nfs/dbraw/zinc/19/10/92/1106191092.db2.gz MMNDEOXCDHFMHC-YSTOQKLRSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147133 1106191095 /nfs/dbraw/zinc/19/10/95/1106191095.db2.gz MMNDEOXCDHFMHC-YSTOQKLRSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255147133 1106191097 /nfs/dbraw/zinc/19/10/97/1106191097.db2.gz MMNDEOXCDHFMHC-YSTOQKLRSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255147133 1106191101 /nfs/dbraw/zinc/19/11/01/1106191101.db2.gz MMNDEOXCDHFMHC-YSTOQKLRSA-N 2 2 314.473 3.293 20 0 DGADLP Fc1cccnc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255376974 1106235550 /nfs/dbraw/zinc/23/55/50/1106235550.db2.gz DGMWCAZIRKTJBI-QGZVFWFLSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cccnc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376974 1106235552 /nfs/dbraw/zinc/23/55/52/1106235552.db2.gz DGMWCAZIRKTJBI-QGZVFWFLSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccnc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255388802 1106239719 /nfs/dbraw/zinc/23/97/19/1106239719.db2.gz HYJIDRPXZUDGGK-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccnc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255388802 1106239721 /nfs/dbraw/zinc/23/97/21/1106239721.db2.gz HYJIDRPXZUDGGK-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP COc1ccc(F)c(F)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255668054 1106290313 /nfs/dbraw/zinc/29/03/13/1106290313.db2.gz XFCMTGFMGZCWCT-YHWZYXNKSA-N 2 2 310.388 3.078 20 0 DGADLP COc1ccc(F)c(F)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668054 1106290316 /nfs/dbraw/zinc/29/03/16/1106290316.db2.gz XFCMTGFMGZCWCT-YHWZYXNKSA-N 2 2 310.388 3.078 20 0 DGADLP Cc1ccc(C[C@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001255793682 1106317711 /nfs/dbraw/zinc/31/77/11/1106317711.db2.gz OVLNVRRDHOVFOO-KRWDZBQOSA-N 2 2 324.472 3.155 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Br)o1 ZINC001255951060 1106348119 /nfs/dbraw/zinc/34/81/19/1106348119.db2.gz MOLNHBRXCXHJEB-LLVKDONJSA-N 2 2 303.244 3.252 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC001255967126 1106351840 /nfs/dbraw/zinc/35/18/40/1106351840.db2.gz OLGONJOKEVSNQG-HNNXBMFYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC001255967126 1106351845 /nfs/dbraw/zinc/35/18/45/1106351845.db2.gz OLGONJOKEVSNQG-HNNXBMFYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001255971350 1106353152 /nfs/dbraw/zinc/35/31/52/1106353152.db2.gz JHXNATJGETUFLC-QGZVFWFLSA-N 3 2 318.509 3.069 20 0 DGADLP Clc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(Cl)n1 ZINC001256068004 1106363629 /nfs/dbraw/zinc/36/36/29/1106363629.db2.gz RUVYCEZVZMFSGN-UHFFFAOYSA-N 2 2 300.233 3.105 20 0 DGADLP CC(C)(C)C[N@@H+](C1CC[NH+](C2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256072696 1106365100 /nfs/dbraw/zinc/36/51/00/1106365100.db2.gz UQLNZZHURAMXKC-JCNLHEQBSA-N 3 2 307.526 3.231 20 0 DGADLP CC(C)(C)C[N@H+](C1CC[NH+](C2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256072696 1106365101 /nfs/dbraw/zinc/36/51/01/1106365101.db2.gz UQLNZZHURAMXKC-JCNLHEQBSA-N 3 2 307.526 3.231 20 0 DGADLP Clc1ccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256073563 1106365255 /nfs/dbraw/zinc/36/52/55/1106365255.db2.gz WIDQNLQXXHZJAD-UHFFFAOYSA-N 2 2 319.880 3.089 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)c1 ZINC001256153058 1106379355 /nfs/dbraw/zinc/37/93/55/1106379355.db2.gz RZMBOZUWXNIBDI-WBVHZDCISA-N 2 2 304.478 3.336 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)c1 ZINC001256153058 1106379358 /nfs/dbraw/zinc/37/93/58/1106379358.db2.gz RZMBOZUWXNIBDI-WBVHZDCISA-N 2 2 304.478 3.336 20 0 DGADLP Cc1ccc(C[N@@H+](C2CC[NH+](C)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256202091 1106389732 /nfs/dbraw/zinc/38/97/32/1106389732.db2.gz XHSGKRYWRVBMPE-WGSAOQKQSA-N 3 2 315.505 3.161 20 0 DGADLP Cc1ccc(C[N@H+](C2CC[NH+](C)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256202091 1106389736 /nfs/dbraw/zinc/38/97/36/1106389736.db2.gz XHSGKRYWRVBMPE-WGSAOQKQSA-N 3 2 315.505 3.161 20 0 DGADLP C[NH+]1CCC([NH+]2CCC(Oc3cccc(Cl)c3)CC2)CC1 ZINC001256207189 1106390517 /nfs/dbraw/zinc/39/05/17/1106390517.db2.gz BONQDVPRVDZCQU-UHFFFAOYSA-N 2 2 308.853 3.277 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001256213204 1106391585 /nfs/dbraw/zinc/39/15/85/1106391585.db2.gz QGXTWDNCNHKKTR-QWHCGFSZSA-N 2 2 313.283 3.310 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001256213205 1106392164 /nfs/dbraw/zinc/39/21/64/1106392164.db2.gz QGXTWDNCNHKKTR-STQMWFEESA-N 2 2 313.283 3.310 20 0 DGADLP C[N@H+](C1CCN(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001256306902 1106402425 /nfs/dbraw/zinc/40/24/25/1106402425.db2.gz FBEOAWFGKSMDPW-UHFFFAOYSA-N 2 2 321.896 3.335 20 0 DGADLP C[N@@H+](C1CCN(c2ccc(Cl)cc2)CC1)C1CC[NH+](C)CC1 ZINC001256306902 1106402428 /nfs/dbraw/zinc/40/24/28/1106402428.db2.gz FBEOAWFGKSMDPW-UHFFFAOYSA-N 2 2 321.896 3.335 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(OC3CCC3)ccn2)CC1 ZINC001256565261 1106445722 /nfs/dbraw/zinc/44/57/22/1106445722.db2.gz BVAINNCWQMZPRX-UHFFFAOYSA-N 2 2 317.477 3.365 20 0 DGADLP COc1cccnc1[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001256567203 1106446724 /nfs/dbraw/zinc/44/67/24/1106446724.db2.gz UOENGPOLMGWJNO-QGZVFWFLSA-N 2 2 317.477 3.394 20 0 DGADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001256606547 1106453070 /nfs/dbraw/zinc/45/30/70/1106453070.db2.gz XPIXVUVRFXFXJR-QUCCMNQESA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001256606547 1106453071 /nfs/dbraw/zinc/45/30/71/1106453071.db2.gz XPIXVUVRFXFXJR-QUCCMNQESA-N 2 2 314.473 3.152 20 0 DGADLP CCO[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610259 1106453468 /nfs/dbraw/zinc/45/34/68/1106453468.db2.gz AMPGZABKNCUPBA-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CCO[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610259 1106453472 /nfs/dbraw/zinc/45/34/72/1106453472.db2.gz AMPGZABKNCUPBA-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP COc1cccc2c1CC[C@@H]([N@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001256632667 1106457981 /nfs/dbraw/zinc/45/79/81/1106457981.db2.gz KDQWQDIRILBRKZ-GOSISDBHSA-N 2 2 310.441 3.013 20 0 DGADLP COc1cccc2c1CC[C@@H]([N@@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001256632667 1106457984 /nfs/dbraw/zinc/45/79/84/1106457984.db2.gz KDQWQDIRILBRKZ-GOSISDBHSA-N 2 2 310.441 3.013 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256783115 1106481682 /nfs/dbraw/zinc/48/16/82/1106481682.db2.gz XUPLNSDBWLOECG-MOPGFXCFSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1[nH+]cn([C@H](C)Cc2ccccc2Br)c1CC[NH3+] ZINC001256825649 1106491731 /nfs/dbraw/zinc/49/17/31/1106491731.db2.gz BMYOLNWOGLTLNM-LLVKDONJSA-N 2 2 322.250 3.259 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1ncccc1F ZINC001256905336 1106507885 /nfs/dbraw/zinc/50/78/85/1106507885.db2.gz OOEMEZKMXNWYKG-HNNXBMFYSA-N 2 2 319.468 3.495 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)c1ncccc1F ZINC001256905336 1106507889 /nfs/dbraw/zinc/50/78/89/1106507889.db2.gz OOEMEZKMXNWYKG-HNNXBMFYSA-N 2 2 319.468 3.495 20 0 DGADLP Cc1ccnc(C2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256907837 1106509161 /nfs/dbraw/zinc/50/91/61/1106509161.db2.gz FXLURWQSMAIJOB-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1ccnc(C2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256907837 1106509165 /nfs/dbraw/zinc/50/91/65/1106509165.db2.gz FXLURWQSMAIJOB-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001257218661 1106553438 /nfs/dbraw/zinc/55/34/38/1106553438.db2.gz VRFOJOBMOIVGSL-IBGZPJMESA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001257218661 1106553440 /nfs/dbraw/zinc/55/34/40/1106553440.db2.gz VRFOJOBMOIVGSL-IBGZPJMESA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001257224170 1106554366 /nfs/dbraw/zinc/55/43/66/1106554366.db2.gz QUUZVLJMVDDPLG-KRWDZBQOSA-N 2 2 300.446 3.064 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001257224170 1106554367 /nfs/dbraw/zinc/55/43/67/1106554367.db2.gz QUUZVLJMVDDPLG-KRWDZBQOSA-N 2 2 300.446 3.064 20 0 DGADLP CCC[C@@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001257307352 1106565202 /nfs/dbraw/zinc/56/52/02/1106565202.db2.gz KABQDXRDPJWWPF-GFCCVEGCSA-N 2 2 301.525 3.216 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001257381000 1106577437 /nfs/dbraw/zinc/57/74/37/1106577437.db2.gz GJELCAGFKRVKIV-DLBZAZTESA-N 2 2 312.498 3.208 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001257380776 1106577476 /nfs/dbraw/zinc/57/74/76/1106577476.db2.gz DUZXPAUUJSZRRA-CVEARBPZSA-N 2 2 312.498 3.208 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001257380776 1106577478 /nfs/dbraw/zinc/57/74/78/1106577478.db2.gz DUZXPAUUJSZRRA-CVEARBPZSA-N 2 2 312.498 3.208 20 0 DGADLP CCCCOC(=O)CC[C@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001257397687 1106581201 /nfs/dbraw/zinc/58/12/01/1106581201.db2.gz ACYGKXSTROXMTK-LSDHHAIUSA-N 2 2 307.438 3.035 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001257396137 1106581261 /nfs/dbraw/zinc/58/12/61/1106581261.db2.gz BRNHEOGPXVASCF-MRXNPFEDSA-N 2 2 312.498 3.305 20 0 DGADLP CCCCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514574 1106601184 /nfs/dbraw/zinc/60/11/84/1106601184.db2.gz JZFKRKWBZIBCGJ-QXAKKESOSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514574 1106601186 /nfs/dbraw/zinc/60/11/86/1106601186.db2.gz JZFKRKWBZIBCGJ-QXAKKESOSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514574 1106601188 /nfs/dbraw/zinc/60/11/88/1106601188.db2.gz JZFKRKWBZIBCGJ-QXAKKESOSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514574 1106601190 /nfs/dbraw/zinc/60/11/90/1106601190.db2.gz JZFKRKWBZIBCGJ-QXAKKESOSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257513591 1106601363 /nfs/dbraw/zinc/60/13/63/1106601363.db2.gz USYGQBYSYLJFRN-AWEZNQCLSA-N 2 2 302.422 3.246 20 0 DGADLP CCCCC[C@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257513591 1106601366 /nfs/dbraw/zinc/60/13/66/1106601366.db2.gz USYGQBYSYLJFRN-AWEZNQCLSA-N 2 2 302.422 3.246 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC001257657978 1106615678 /nfs/dbraw/zinc/61/56/78/1106615678.db2.gz SYGAXDCILODYMA-KRWDZBQOSA-N 2 2 320.502 3.145 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822143 1106631485 /nfs/dbraw/zinc/63/14/85/1106631485.db2.gz SYKBKBJCDXRUQJ-JLAWEPINSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822143 1106631488 /nfs/dbraw/zinc/63/14/88/1106631488.db2.gz SYKBKBJCDXRUQJ-JLAWEPINSA-N 2 2 302.462 3.198 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257964076 1106651926 /nfs/dbraw/zinc/65/19/26/1106651926.db2.gz OQMRFRVQQUXIOW-INIZCTEOSA-N 2 2 308.853 3.060 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257964076 1106651928 /nfs/dbraw/zinc/65/19/28/1106651928.db2.gz OQMRFRVQQUXIOW-INIZCTEOSA-N 2 2 308.853 3.060 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cc(F)cc32)CC1 ZINC001258009469 1106657456 /nfs/dbraw/zinc/65/74/56/1106657456.db2.gz YUDUGBCSYUWKRB-KRWDZBQOSA-N 2 2 324.415 3.498 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258017543 1106659016 /nfs/dbraw/zinc/65/90/16/1106659016.db2.gz LGXODFFCANRUDE-VQTJNVASSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258017543 1106659017 /nfs/dbraw/zinc/65/90/17/1106659017.db2.gz LGXODFFCANRUDE-VQTJNVASSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001258017543 1106659018 /nfs/dbraw/zinc/65/90/18/1106659018.db2.gz LGXODFFCANRUDE-VQTJNVASSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258017543 1106659019 /nfs/dbraw/zinc/65/90/19/1106659019.db2.gz LGXODFFCANRUDE-VQTJNVASSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258056527 1106665411 /nfs/dbraw/zinc/66/54/11/1106665411.db2.gz AIVIWSUZHXUKPT-ZULIPRJHSA-N 2 2 317.521 3.249 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C3CCCCCCC3)CC2)c1 ZINC001258243943 1106703999 /nfs/dbraw/zinc/70/39/99/1106703999.db2.gz JLRPEWVGBJOTSJ-UHFFFAOYSA-N 2 2 303.450 3.325 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)cc1 ZINC001258395397 1106729599 /nfs/dbraw/zinc/72/95/99/1106729599.db2.gz GIYQKGZZZTUZBR-HNNXBMFYSA-N 2 2 309.413 3.454 20 0 DGADLP CC[N@H+](C1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001258512477 1106788442 /nfs/dbraw/zinc/78/84/42/1106788442.db2.gz YQIBPRNAJCJSJT-UHFFFAOYSA-N 2 2 301.478 3.072 20 0 DGADLP CC[N@@H+](C1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001258512477 1106788453 /nfs/dbraw/zinc/78/84/53/1106788453.db2.gz YQIBPRNAJCJSJT-UHFFFAOYSA-N 2 2 301.478 3.072 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001320025451 1106793514 /nfs/dbraw/zinc/79/35/14/1106793514.db2.gz HUKIBNNIYBNKJP-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001320025451 1106793524 /nfs/dbraw/zinc/79/35/24/1106793524.db2.gz HUKIBNNIYBNKJP-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP C[C@@H](Cc1cccnc1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001258617171 1106855721 /nfs/dbraw/zinc/85/57/21/1106855721.db2.gz PVMGTOCAUYHONP-RXVVDRJESA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H](Cc1cccnc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258632557 1106871670 /nfs/dbraw/zinc/87/16/70/1106871670.db2.gz IPQBEPBREHTLOM-MRXNPFEDSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@H](Cc1cccnc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258632557 1106871681 /nfs/dbraw/zinc/87/16/81/1106871681.db2.gz IPQBEPBREHTLOM-MRXNPFEDSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001258689614 1106907367 /nfs/dbraw/zinc/90/73/67/1106907367.db2.gz HVLAWUSKZMSONB-WNHJNPCNSA-N 2 2 315.505 3.003 20 0 DGADLP Cc1cc(N2CC[NH+]([C@H]3C[C@@H](C)CC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001258700738 1106914588 /nfs/dbraw/zinc/91/45/88/1106914588.db2.gz OMQKPEWQINEXIF-PBHICJAKSA-N 2 2 316.493 3.430 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](c2ncccc2OC)C2CC2)CC1 ZINC001258771017 1106965692 /nfs/dbraw/zinc/96/56/92/1106965692.db2.gz XEEFTPUQJQQHTF-KRWDZBQOSA-N 2 2 303.450 3.005 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001258776037 1106971500 /nfs/dbraw/zinc/97/15/00/1106971500.db2.gz QCWPNKITVBGPCD-RBUKOAKNSA-N 3 2 307.526 3.200 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258776037 1106971484 /nfs/dbraw/zinc/97/14/84/1106971484.db2.gz QCWPNKITVBGPCD-RBUKOAKNSA-N 3 2 307.526 3.200 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258776037 1106971492 /nfs/dbraw/zinc/97/14/92/1106971492.db2.gz QCWPNKITVBGPCD-RBUKOAKNSA-N 3 2 307.526 3.200 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258776037 1106971507 /nfs/dbraw/zinc/97/15/07/1106971507.db2.gz QCWPNKITVBGPCD-RBUKOAKNSA-N 3 2 307.526 3.200 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC001258830668 1107012760 /nfs/dbraw/zinc/01/27/60/1107012760.db2.gz RCQXKAFEAWXFNE-HOCLYGCPSA-N 2 2 303.450 3.227 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001321282839 1107311867 /nfs/dbraw/zinc/31/18/67/1107311867.db2.gz UDHGKKBBUMHUBK-LBPRGKRZSA-N 2 2 320.343 3.340 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC001322305829 1107622415 /nfs/dbraw/zinc/62/24/15/1107622415.db2.gz XNZRYULDQWUTPD-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC001322305829 1107622419 /nfs/dbraw/zinc/62/24/19/1107622419.db2.gz XNZRYULDQWUTPD-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001262365347 1107696482 /nfs/dbraw/zinc/69/64/82/1107696482.db2.gz ZHZJSCCXYLCUCN-ZDUSSCGKSA-N 2 2 319.836 3.234 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001262365347 1107696489 /nfs/dbraw/zinc/69/64/89/1107696489.db2.gz ZHZJSCCXYLCUCN-ZDUSSCGKSA-N 2 2 319.836 3.234 20 0 DGADLP COCCC[NH+]1CCC(Nc2cc(C)c3ccccc3[nH+]2)CC1 ZINC001318364935 1107960320 /nfs/dbraw/zinc/96/03/20/1107960320.db2.gz SRVPDRSHXWIGKA-UHFFFAOYSA-N 2 2 313.445 3.456 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2ccsc2[nH]1 ZINC001318491213 1108050599 /nfs/dbraw/zinc/05/05/99/1108050599.db2.gz MOMLQWDAQBBBTO-UHFFFAOYSA-N 2 2 323.381 3.371 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001325130576 1108580848 /nfs/dbraw/zinc/58/08/48/1108580848.db2.gz AIWUQOULVQUNCL-AGUYFDCRSA-N 2 2 307.869 3.121 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001325130576 1108580854 /nfs/dbraw/zinc/58/08/54/1108580854.db2.gz AIWUQOULVQUNCL-AGUYFDCRSA-N 2 2 307.869 3.121 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]C/C=C/Cl)c(C)[nH+]1 ZINC001283205070 1109603200 /nfs/dbraw/zinc/60/32/00/1109603200.db2.gz NWFFMBLGCYSRJM-STMXVASLSA-N 2 2 323.868 3.247 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc([Si](C)(C)C)cc1)CC2 ZINC001307609850 1111319023 /nfs/dbraw/zinc/31/90/23/1111319023.db2.gz SXKCWJKXZIWWDP-UHFFFAOYSA-N 2 2 316.565 3.292 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc([Si](C)(C)C)cc1)CC2 ZINC001307609850 1111319025 /nfs/dbraw/zinc/31/90/25/1111319025.db2.gz SXKCWJKXZIWWDP-UHFFFAOYSA-N 2 2 316.565 3.292 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901754 1111352748 /nfs/dbraw/zinc/35/27/48/1111352748.db2.gz QCBGSPNZMSOKKH-RHSMWYFYSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901754 1111352752 /nfs/dbraw/zinc/35/27/52/1111352752.db2.gz QCBGSPNZMSOKKH-RHSMWYFYSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901754 1111352756 /nfs/dbraw/zinc/35/27/56/1111352756.db2.gz QCBGSPNZMSOKKH-RHSMWYFYSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901754 1111352759 /nfs/dbraw/zinc/35/27/59/1111352759.db2.gz QCBGSPNZMSOKKH-RHSMWYFYSA-N 2 2 324.896 3.003 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC001308194395 1111394431 /nfs/dbraw/zinc/39/44/31/1111394431.db2.gz CDUUNNLUROOUJH-RBUKOAKNSA-N 2 2 318.505 3.487 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2)C[NH+]1CCCCC1 ZINC001308216150 1111399089 /nfs/dbraw/zinc/39/90/89/1111399089.db2.gz MMOYGIAICOLQHB-CABCVRRESA-N 2 2 321.534 3.480 20 0 DGADLP FC1(F)[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@H]1c1ccccc1 ZINC001308511905 1111436944 /nfs/dbraw/zinc/43/69/44/1111436944.db2.gz GCEMKQVPIUZMKO-NVXWUHKLSA-N 2 2 313.351 3.473 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)C[NH+](C)C ZINC001308517258 1111437184 /nfs/dbraw/zinc/43/71/84/1111437184.db2.gz BCFVITGTHAXSCW-INIZCTEOSA-N 2 2 318.486 3.471 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1 ZINC001308552249 1111442170 /nfs/dbraw/zinc/44/21/70/1111442170.db2.gz IWENITFKZRUCRE-SFHVURJKSA-N 2 2 313.445 3.350 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001308858263 1111485671 /nfs/dbraw/zinc/48/56/71/1111485671.db2.gz DMSGPNCBIZMXTC-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001308858263 1111485674 /nfs/dbraw/zinc/48/56/74/1111485674.db2.gz DMSGPNCBIZMXTC-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC001308984302 1111505409 /nfs/dbraw/zinc/50/54/09/1111505409.db2.gz YLFNKBOLQFWVTC-UHFFFAOYSA-N 2 2 306.360 3.132 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCC[NH2+]C1 ZINC000234328926 546278158 /nfs/dbraw/zinc/27/81/58/546278158.db2.gz NTXGACGSFLJMEM-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCC[NH2+]C1 ZINC000234328926 546278162 /nfs/dbraw/zinc/27/81/62/546278162.db2.gz NTXGACGSFLJMEM-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CCSC1)c1cccc(OC)c1 ZINC000278282910 214065157 /nfs/dbraw/zinc/06/51/57/214065157.db2.gz BFBOSKGYFXWFEJ-QAPCUYQASA-N 2 2 322.518 3.421 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000278487616 214187381 /nfs/dbraw/zinc/18/73/81/214187381.db2.gz SUFGJSMMXCVOOO-AWEZNQCLSA-N 2 2 303.381 3.327 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000278487616 214187383 /nfs/dbraw/zinc/18/73/83/214187383.db2.gz SUFGJSMMXCVOOO-AWEZNQCLSA-N 2 2 303.381 3.327 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Cl ZINC000278514416 214204542 /nfs/dbraw/zinc/20/45/42/214204542.db2.gz MJJXIQSFWACOPR-LSDHHAIUSA-N 2 2 310.869 3.492 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1Cl ZINC000278514416 214204544 /nfs/dbraw/zinc/20/45/44/214204544.db2.gz MJJXIQSFWACOPR-LSDHHAIUSA-N 2 2 310.869 3.492 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)[nH+]c1 ZINC000278529143 214215663 /nfs/dbraw/zinc/21/56/63/214215663.db2.gz UAXJXSIWKGAESR-UHFFFAOYSA-N 2 2 322.456 3.114 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305890344 231082668 /nfs/dbraw/zinc/08/26/68/231082668.db2.gz LUBZCRCDRADBLK-UHFFFAOYSA-N 3 2 320.440 3.223 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305890344 231082666 /nfs/dbraw/zinc/08/26/66/231082666.db2.gz LUBZCRCDRADBLK-UHFFFAOYSA-N 3 2 320.440 3.223 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000309707200 231102850 /nfs/dbraw/zinc/10/28/50/231102850.db2.gz IDMTYEQFEFGXIK-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000309707200 231102853 /nfs/dbraw/zinc/10/28/53/231102853.db2.gz IDMTYEQFEFGXIK-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP COCc1ccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000309911501 231106870 /nfs/dbraw/zinc/10/68/70/231106870.db2.gz SAVFXYHYPKHRRH-QGZVFWFLSA-N 2 2 312.457 3.443 20 0 DGADLP COCc1ccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000309911501 231106874 /nfs/dbraw/zinc/10/68/74/231106874.db2.gz SAVFXYHYPKHRRH-QGZVFWFLSA-N 2 2 312.457 3.443 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310099343 231109024 /nfs/dbraw/zinc/10/90/24/231109024.db2.gz WSWVLBYBIDEZQT-YLJYHZDGSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310099343 231109027 /nfs/dbraw/zinc/10/90/27/231109027.db2.gz WSWVLBYBIDEZQT-YLJYHZDGSA-N 2 2 324.472 3.348 20 0 DGADLP [NH3+]CCC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000310030690 231110841 /nfs/dbraw/zinc/11/08/41/231110841.db2.gz KTZXIVLLDUCJBF-UHFFFAOYSA-N 2 2 320.440 3.223 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000310030690 231110844 /nfs/dbraw/zinc/11/08/44/231110844.db2.gz KTZXIVLLDUCJBF-UHFFFAOYSA-N 2 2 320.440 3.223 20 0 DGADLP CCc1cc(NCCc2[nH+]c3ccc(F)cc3n2C)nc(C)[nH+]1 ZINC000302037589 529555791 /nfs/dbraw/zinc/55/57/91/529555791.db2.gz GGPJBNFXJXLGID-UHFFFAOYSA-N 2 2 313.380 3.028 20 0 DGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430961322 529577717 /nfs/dbraw/zinc/57/77/17/529577717.db2.gz NFKIFXUBYKGDES-AWEZNQCLSA-N 2 2 301.459 3.153 20 0 DGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430961322 529577721 /nfs/dbraw/zinc/57/77/21/529577721.db2.gz NFKIFXUBYKGDES-AWEZNQCLSA-N 2 2 301.459 3.153 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000415061518 529610455 /nfs/dbraw/zinc/61/04/55/529610455.db2.gz CVNGYDIGWLBYHN-SFHVURJKSA-N 2 2 313.445 3.059 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C(=O)OC)cc1 ZINC000423252829 529611133 /nfs/dbraw/zinc/61/11/33/529611133.db2.gz UVGHJUMNMFYPDJ-MSOLQXFVSA-N 2 2 312.413 3.214 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229696 432005623 /nfs/dbraw/zinc/00/56/23/432005623.db2.gz SERPAKVYRPKXSU-QGZVFWFLSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229696 432005626 /nfs/dbraw/zinc/00/56/26/432005626.db2.gz SERPAKVYRPKXSU-QGZVFWFLSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000090015034 185277946 /nfs/dbraw/zinc/27/79/46/185277946.db2.gz DZDUKSIRGQGVNF-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000090015034 185277947 /nfs/dbraw/zinc/27/79/47/185277947.db2.gz DZDUKSIRGQGVNF-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000090403282 185294553 /nfs/dbraw/zinc/29/45/53/185294553.db2.gz OPTPZRLOGIMHAS-ZDUSSCGKSA-N 2 2 316.474 3.162 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724316 185311377 /nfs/dbraw/zinc/31/13/77/185311377.db2.gz JLMQZLXWZDGKEY-LPHOPBHVSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724316 185311378 /nfs/dbraw/zinc/31/13/78/185311378.db2.gz JLMQZLXWZDGKEY-LPHOPBHVSA-N 2 2 313.489 3.462 20 0 DGADLP CCc1ccc([C@H](CNCc2[nH]cc[nH+]2)[NH+](CC)CC)cc1 ZINC000292600375 529723826 /nfs/dbraw/zinc/72/38/26/529723826.db2.gz HGPZMOWETONABD-KRWDZBQOSA-N 2 2 300.450 3.145 20 0 DGADLP Cc1ncsc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000103348479 432007529 /nfs/dbraw/zinc/00/75/29/432007529.db2.gz DQPLGQYNBYSGSQ-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP C[N@H+](CCCCNc1[nH+]cnc2[nH]c3ccccc3c21)C1CC1 ZINC000413346137 529884167 /nfs/dbraw/zinc/88/41/67/529884167.db2.gz HJCUOOSLIRRRSL-UHFFFAOYSA-N 2 2 309.417 3.397 20 0 DGADLP C[N@@H+](CCCCNc1[nH+]cnc2[nH]c3ccccc3c21)C1CC1 ZINC000413346137 529884168 /nfs/dbraw/zinc/88/41/68/529884168.db2.gz HJCUOOSLIRRRSL-UHFFFAOYSA-N 2 2 309.417 3.397 20 0 DGADLP C[NH2+]CCCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000430907441 529962354 /nfs/dbraw/zinc/96/23/54/529962354.db2.gz RGTAEZMGYYFCGU-UHFFFAOYSA-N 2 2 319.792 3.465 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435435900 529976899 /nfs/dbraw/zinc/97/68/99/529976899.db2.gz CTYIOTCYOWHGNE-CYBMUJFWSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435435900 529976901 /nfs/dbraw/zinc/97/69/01/529976901.db2.gz CTYIOTCYOWHGNE-CYBMUJFWSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]2CCC[C@H]21 ZINC000430882138 529999114 /nfs/dbraw/zinc/99/91/14/529999114.db2.gz IAIHXNLMVQNWFM-MOPGFXCFSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]2CCC[C@H]21 ZINC000430882138 529999116 /nfs/dbraw/zinc/99/91/16/529999116.db2.gz IAIHXNLMVQNWFM-MOPGFXCFSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430882138 529999118 /nfs/dbraw/zinc/99/91/18/529999118.db2.gz IAIHXNLMVQNWFM-MOPGFXCFSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000430882138 529999119 /nfs/dbraw/zinc/99/91/19/529999119.db2.gz IAIHXNLMVQNWFM-MOPGFXCFSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc2ccccc2c1 ZINC000430566611 530021794 /nfs/dbraw/zinc/02/17/94/530021794.db2.gz CQDYDOLUJFSBLS-UHFFFAOYSA-N 2 2 310.401 3.049 20 0 DGADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc2ccccc2c1 ZINC000430566611 530021795 /nfs/dbraw/zinc/02/17/95/530021795.db2.gz CQDYDOLUJFSBLS-UHFFFAOYSA-N 2 2 310.401 3.049 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000272661843 210066398 /nfs/dbraw/zinc/06/63/98/210066398.db2.gz RNHNHFZEULHGSJ-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000272661843 210066402 /nfs/dbraw/zinc/06/64/02/210066402.db2.gz RNHNHFZEULHGSJ-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000272661843 210066405 /nfs/dbraw/zinc/06/64/05/210066405.db2.gz RNHNHFZEULHGSJ-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OC ZINC000272661843 210066408 /nfs/dbraw/zinc/06/64/08/210066408.db2.gz RNHNHFZEULHGSJ-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cn1 ZINC000279673902 215050976 /nfs/dbraw/zinc/05/09/76/215050976.db2.gz IBQLEPDPCAPQRA-UBHSHLNASA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cn1 ZINC000279673902 215050979 /nfs/dbraw/zinc/05/09/79/215050979.db2.gz IBQLEPDPCAPQRA-UBHSHLNASA-N 2 2 324.266 3.122 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C[C@@H](C)O1 ZINC000069674079 190804423 /nfs/dbraw/zinc/80/44/23/190804423.db2.gz JSQBXTQXZLQRNL-HZPDHXFCSA-N 2 2 314.429 3.179 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644830 210047381 /nfs/dbraw/zinc/04/73/81/210047381.db2.gz OSTGTQRNNFEMBM-WMLDXEAASA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644830 210047386 /nfs/dbraw/zinc/04/73/86/210047386.db2.gz OSTGTQRNNFEMBM-WMLDXEAASA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644830 210047390 /nfs/dbraw/zinc/04/73/90/210047390.db2.gz OSTGTQRNNFEMBM-WMLDXEAASA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644830 210047392 /nfs/dbraw/zinc/04/73/92/210047392.db2.gz OSTGTQRNNFEMBM-WMLDXEAASA-N 2 2 313.470 3.336 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619188 210022287 /nfs/dbraw/zinc/02/22/87/210022287.db2.gz LRDKPVVKDZXOMV-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619188 210022288 /nfs/dbraw/zinc/02/22/88/210022288.db2.gz LRDKPVVKDZXOMV-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619188 210022292 /nfs/dbraw/zinc/02/22/92/210022292.db2.gz LRDKPVVKDZXOMV-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619188 210022294 /nfs/dbraw/zinc/02/22/94/210022294.db2.gz LRDKPVVKDZXOMV-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1nccn1-c1ccccc1 ZINC000287000852 219263251 /nfs/dbraw/zinc/26/32/51/219263251.db2.gz KCTPOFAQEAACNA-NBOOPKSLSA-N 2 2 312.461 3.252 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1nccn1-c1ccccc1 ZINC000287000852 219263254 /nfs/dbraw/zinc/26/32/54/219263254.db2.gz KCTPOFAQEAACNA-NBOOPKSLSA-N 2 2 312.461 3.252 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000279943584 215258584 /nfs/dbraw/zinc/25/85/84/215258584.db2.gz HSASCDTWEPNFGH-UHFFFAOYSA-N 2 2 312.417 3.056 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000140337674 186025885 /nfs/dbraw/zinc/02/58/85/186025885.db2.gz GZFRLPHICKMQED-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000140337674 186025887 /nfs/dbraw/zinc/02/58/87/186025887.db2.gz GZFRLPHICKMQED-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152432961 186072652 /nfs/dbraw/zinc/07/26/52/186072652.db2.gz CQIBVCCSSVICNV-NVXWUHKLSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152432961 186072653 /nfs/dbraw/zinc/07/26/53/186072653.db2.gz CQIBVCCSSVICNV-NVXWUHKLSA-N 3 2 324.472 3.316 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155693792 186103579 /nfs/dbraw/zinc/10/35/79/186103579.db2.gz YYDBUOJUNCNBRM-OLZOCXBDSA-N 2 2 300.431 3.275 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1 ZINC000155856918 186118362 /nfs/dbraw/zinc/11/83/62/186118362.db2.gz VXBQQJVQRCPGCM-NVXWUHKLSA-N 3 2 314.477 3.055 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1 ZINC000155856918 186118363 /nfs/dbraw/zinc/11/83/63/186118363.db2.gz VXBQQJVQRCPGCM-NVXWUHKLSA-N 3 2 314.477 3.055 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000155861179 186118660 /nfs/dbraw/zinc/11/86/60/186118660.db2.gz LZEXKMMXIKQKBJ-CYBMUJFWSA-N 2 2 323.444 3.492 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000173331699 186177045 /nfs/dbraw/zinc/17/70/45/186177045.db2.gz WGJXBNCHAWJRMB-KRWDZBQOSA-N 2 2 310.441 3.370 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179685189 186205096 /nfs/dbraw/zinc/20/50/96/186205096.db2.gz GQZAANQTVWFJAU-UHFFFAOYSA-N 3 2 314.477 3.278 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179685189 186205098 /nfs/dbraw/zinc/20/50/98/186205098.db2.gz GQZAANQTVWFJAU-UHFFFAOYSA-N 3 2 314.477 3.278 20 0 DGADLP Cc1cc(C[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000189946964 186253326 /nfs/dbraw/zinc/25/33/26/186253326.db2.gz FGESUMYZCGVAAY-RTHVDDQRSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cc(C[NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000189946964 186253328 /nfs/dbraw/zinc/25/33/28/186253328.db2.gz FGESUMYZCGVAAY-RTHVDDQRSA-N 2 2 313.445 3.229 20 0 DGADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1C ZINC000194240862 186272273 /nfs/dbraw/zinc/27/22/73/186272273.db2.gz NMTOKBAWEJEEAZ-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000106933866 432025903 /nfs/dbraw/zinc/02/59/03/432025903.db2.gz VFVGFQMEEVSWOO-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000106933866 432025897 /nfs/dbraw/zinc/02/58/97/432025897.db2.gz VFVGFQMEEVSWOO-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000106933866 432025900 /nfs/dbraw/zinc/02/59/00/432025900.db2.gz VFVGFQMEEVSWOO-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750677 186378178 /nfs/dbraw/zinc/37/81/78/186378178.db2.gz JKVPDYZIYPTDGT-MKBNYLNASA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750677 186378180 /nfs/dbraw/zinc/37/81/80/186378180.db2.gz JKVPDYZIYPTDGT-MKBNYLNASA-N 2 2 310.388 3.421 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccnc1Cl ZINC000268762754 186382753 /nfs/dbraw/zinc/38/27/53/186382753.db2.gz MHERUDTZAFAXDQ-GFCCVEGCSA-N 2 2 300.793 3.276 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2C(C)=O)CC1 ZINC000171940430 198011202 /nfs/dbraw/zinc/01/12/02/198011202.db2.gz OVMUQQFSKKMGEK-UHFFFAOYSA-N 2 2 318.461 3.074 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2C(C)=O)CC1 ZINC000171940430 198011203 /nfs/dbraw/zinc/01/12/03/198011203.db2.gz OVMUQQFSKKMGEK-UHFFFAOYSA-N 2 2 318.461 3.074 20 0 DGADLP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2O1 ZINC000172627114 198127808 /nfs/dbraw/zinc/12/78/08/198127808.db2.gz QCENYMZNWRWCBK-UHFFFAOYSA-N 2 2 314.473 3.364 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000067500554 432032217 /nfs/dbraw/zinc/03/22/17/432032217.db2.gz QXKQGKRWCVMFKQ-SNVBAGLBSA-N 2 2 314.252 3.133 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000174514103 198345100 /nfs/dbraw/zinc/34/51/00/198345100.db2.gz VFPRMDVAEMGNAF-JSGCOSHPSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@H+]1C ZINC000174514103 198345101 /nfs/dbraw/zinc/34/51/01/198345101.db2.gz VFPRMDVAEMGNAF-JSGCOSHPSA-N 2 2 316.367 3.200 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000182111174 199388511 /nfs/dbraw/zinc/38/85/11/199388511.db2.gz RSEZVUZCKXRCLB-AWEZNQCLSA-N 2 2 312.417 3.193 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000277065943 213274083 /nfs/dbraw/zinc/27/40/83/213274083.db2.gz DKJYRKFWXJLTCC-CQSZACIVSA-N 2 2 314.832 3.274 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000277065943 213274085 /nfs/dbraw/zinc/27/40/85/213274085.db2.gz DKJYRKFWXJLTCC-CQSZACIVSA-N 2 2 314.832 3.274 20 0 DGADLP c1ccc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000131798834 432037903 /nfs/dbraw/zinc/03/79/03/432037903.db2.gz GTRRYPRYJKMSKT-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP c1ccc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000131798834 432037901 /nfs/dbraw/zinc/03/79/01/432037901.db2.gz GTRRYPRYJKMSKT-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CO2 ZINC000423054591 283006768 /nfs/dbraw/zinc/00/67/68/283006768.db2.gz VBNJPXUVGCCYGI-KBAYOESNSA-N 2 2 312.388 3.342 20 0 DGADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)o1 ZINC000080238322 192015106 /nfs/dbraw/zinc/01/51/06/192015106.db2.gz DZPICZCFTLLGOE-QGZVFWFLSA-N 2 2 311.385 3.251 20 0 DGADLP Cc1cccc2c(CC[NH2+]Cc3cccc4[nH+]ccn43)c[nH]c21 ZINC000179427817 432058484 /nfs/dbraw/zinc/05/84/84/432058484.db2.gz GOTJJBUCKVWCFQ-UHFFFAOYSA-N 2 2 304.397 3.456 20 0 DGADLP Clc1ccccc1O[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000133356782 432062316 /nfs/dbraw/zinc/06/23/16/432062316.db2.gz BKJBIPDXFYVUOG-CQSZACIVSA-N 2 2 305.809 3.080 20 0 DGADLP Clc1ccccc1O[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000133356782 432062318 /nfs/dbraw/zinc/06/23/18/432062318.db2.gz BKJBIPDXFYVUOG-CQSZACIVSA-N 2 2 305.809 3.080 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000133364989 432062426 /nfs/dbraw/zinc/06/24/26/432062426.db2.gz WSUBQJMOETYDIW-NTZNESFSSA-N 2 2 317.260 3.411 20 0 DGADLP CC[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000166805578 432062985 /nfs/dbraw/zinc/06/29/85/432062985.db2.gz XWGFJNMDDHQSAW-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCCO1 ZINC000167043815 432063966 /nfs/dbraw/zinc/06/39/66/432063966.db2.gz LLTNSWHLTWSUEK-GOSISDBHSA-N 2 2 322.880 3.463 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000178228072 198835182 /nfs/dbraw/zinc/83/51/82/198835182.db2.gz MQJXWFZOASQPBR-CYBMUJFWSA-N 2 2 311.433 3.128 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@@H+]1C1CC1 ZINC000168510859 432068803 /nfs/dbraw/zinc/06/88/03/432068803.db2.gz MPEBTKTZHXTTAQ-JQWIXIFHSA-N 2 2 314.351 3.142 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@H+]1C1CC1 ZINC000168510859 432068806 /nfs/dbraw/zinc/06/88/06/432068806.db2.gz MPEBTKTZHXTTAQ-JQWIXIFHSA-N 2 2 314.351 3.142 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@@H+]1C1CC1 ZINC000168511055 432068613 /nfs/dbraw/zinc/06/86/13/432068613.db2.gz MPEBTKTZHXTTAQ-CMPLNLGQSA-N 2 2 314.351 3.142 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@H+]1C1CC1 ZINC000168511055 432068615 /nfs/dbraw/zinc/06/86/15/432068615.db2.gz MPEBTKTZHXTTAQ-CMPLNLGQSA-N 2 2 314.351 3.142 20 0 DGADLP Cc1cccn2c(CN3CCC[N@@H+](C4CCCC4)CC3)c[nH+]c12 ZINC000179770977 432070378 /nfs/dbraw/zinc/07/03/78/432070378.db2.gz VHTOPTZCXRDLON-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2c(CN3CCC[N@H+](C4CCCC4)CC3)c[nH+]c12 ZINC000179770977 432070379 /nfs/dbraw/zinc/07/03/79/432070379.db2.gz VHTOPTZCXRDLON-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CC(C)COC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000179422179 199032815 /nfs/dbraw/zinc/03/28/15/199032815.db2.gz UKJPKKSUEIVDNA-INIZCTEOSA-N 2 2 313.401 3.431 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@@H+]1C ZINC000179552200 199053768 /nfs/dbraw/zinc/05/37/68/199053768.db2.gz ALNZXPODBGRDTB-FNHZYXHNSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@H+]1C ZINC000179552200 199053769 /nfs/dbraw/zinc/05/37/69/199053769.db2.gz ALNZXPODBGRDTB-FNHZYXHNSA-N 2 2 313.420 3.382 20 0 DGADLP CCOCc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1OC ZINC000179831907 199085655 /nfs/dbraw/zinc/08/56/55/199085655.db2.gz DJUHUKWCDBTRGV-UHFFFAOYSA-N 2 2 320.477 3.194 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000179833831 199085873 /nfs/dbraw/zinc/08/58/73/199085873.db2.gz RNIVROPLPLKLDL-UHFFFAOYSA-N 2 2 302.462 3.363 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237377592 202249053 /nfs/dbraw/zinc/24/90/53/202249053.db2.gz ZJVHAXLXCSDKCA-DZGCQCFKSA-N 2 2 312.417 3.041 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000180225888 432081568 /nfs/dbraw/zinc/08/15/68/432081568.db2.gz QTHHAXWBWWWQRC-OCCSQVGLSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000180225888 432081571 /nfs/dbraw/zinc/08/15/71/432081571.db2.gz QTHHAXWBWWWQRC-OCCSQVGLSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000415123882 237096681 /nfs/dbraw/zinc/09/66/81/237096681.db2.gz JVOAFGHOLWPLDW-TZMCWYRMSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000415123882 237096689 /nfs/dbraw/zinc/09/66/89/237096689.db2.gz JVOAFGHOLWPLDW-TZMCWYRMSA-N 2 2 319.449 3.366 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1c1ccccc1F ZINC000415127106 237097043 /nfs/dbraw/zinc/09/70/43/237097043.db2.gz RPHGPLXNXTVZCT-FUHWJXTLSA-N 2 2 310.372 3.499 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1c1ccccc1F ZINC000415127106 237097050 /nfs/dbraw/zinc/09/70/50/237097050.db2.gz RPHGPLXNXTVZCT-FUHWJXTLSA-N 2 2 310.372 3.499 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415139487 237109326 /nfs/dbraw/zinc/10/93/26/237109326.db2.gz XCHAKNGZXYGBLQ-MJGOQNOKSA-N 3 2 315.505 3.148 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000187505930 200121330 /nfs/dbraw/zinc/12/13/30/200121330.db2.gz FLHSQMVTRFYTSD-UHFFFAOYSA-N 2 2 321.424 3.390 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCCO3)CC2)cc1 ZINC000237672026 202325504 /nfs/dbraw/zinc/32/55/04/202325504.db2.gz GYVZDFGVKKDSTI-SFHVURJKSA-N 2 2 322.880 3.463 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)CC3 ZINC000180469458 432087047 /nfs/dbraw/zinc/08/70/47/432087047.db2.gz HDHHHSKIBSSVGJ-CABCVRRESA-N 2 2 311.473 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)CC3 ZINC000180469458 432087050 /nfs/dbraw/zinc/08/70/50/432087050.db2.gz HDHHHSKIBSSVGJ-CABCVRRESA-N 2 2 311.473 3.406 20 0 DGADLP CC(C)OCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000180457118 432087372 /nfs/dbraw/zinc/08/73/72/432087372.db2.gz KOKUVSACCCZIBU-MJGOQNOKSA-N 2 2 319.493 3.087 20 0 DGADLP CC(C)OCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000180457118 432087374 /nfs/dbraw/zinc/08/73/74/432087374.db2.gz KOKUVSACCCZIBU-MJGOQNOKSA-N 2 2 319.493 3.087 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(OC)c1 ZINC000423375945 237845320 /nfs/dbraw/zinc/84/53/20/237845320.db2.gz DLIZEKBLJQSFNF-GUYCJALGSA-N 2 2 306.450 3.133 20 0 DGADLP Cc1cccc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000428667738 238028497 /nfs/dbraw/zinc/02/84/97/238028497.db2.gz OMSGWTLFCQHPAV-KRWDZBQOSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1cccc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000428667738 238028498 /nfs/dbraw/zinc/02/84/98/238028498.db2.gz OMSGWTLFCQHPAV-KRWDZBQOSA-N 2 2 313.470 3.420 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000430092748 238066507 /nfs/dbraw/zinc/06/65/07/238066507.db2.gz BBVHYQWHRNGMNE-BPQIPLTHSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092748 238066508 /nfs/dbraw/zinc/06/65/08/238066508.db2.gz BBVHYQWHRNGMNE-BPQIPLTHSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554600 238079749 /nfs/dbraw/zinc/07/97/49/238079749.db2.gz GKHYLXGDIWEGFU-ZBFHGGJFSA-N 2 2 315.486 3.293 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554600 238079750 /nfs/dbraw/zinc/07/97/50/238079750.db2.gz GKHYLXGDIWEGFU-ZBFHGGJFSA-N 2 2 315.486 3.293 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430587456 238080650 /nfs/dbraw/zinc/08/06/50/238080650.db2.gz WARKZCDVETYZRV-AWEZNQCLSA-N 2 2 306.429 3.001 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430587456 238080651 /nfs/dbraw/zinc/08/06/51/238080651.db2.gz WARKZCDVETYZRV-AWEZNQCLSA-N 2 2 306.429 3.001 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430599011 238081393 /nfs/dbraw/zinc/08/13/93/238081393.db2.gz PHVZUBZVGNQOEF-LLVKDONJSA-N 2 2 322.840 3.368 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430599011 238081395 /nfs/dbraw/zinc/08/13/95/238081395.db2.gz PHVZUBZVGNQOEF-LLVKDONJSA-N 2 2 322.840 3.368 20 0 DGADLP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000430765260 238085592 /nfs/dbraw/zinc/08/55/92/238085592.db2.gz VIHKJGCDWFVDKQ-OAHLLOKOSA-N 2 2 309.404 3.071 20 0 DGADLP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000281262016 216194772 /nfs/dbraw/zinc/19/47/72/216194772.db2.gz YBTLABRZBFDTHN-AWEZNQCLSA-N 2 2 309.404 3.071 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000431647358 238107603 /nfs/dbraw/zinc/10/76/03/238107603.db2.gz CSFZUIRLWCJGGA-QRQLOZEOSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000431647358 238107604 /nfs/dbraw/zinc/10/76/04/238107604.db2.gz CSFZUIRLWCJGGA-QRQLOZEOSA-N 2 2 314.473 3.056 20 0 DGADLP Clc1cnccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134927874 432091642 /nfs/dbraw/zinc/09/16/42/432091642.db2.gz NHBMEYFYWDJMJD-PBHICJAKSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134927874 432091649 /nfs/dbraw/zinc/09/16/49/432091649.db2.gz NHBMEYFYWDJMJD-PBHICJAKSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134927874 432091653 /nfs/dbraw/zinc/09/16/53/432091653.db2.gz NHBMEYFYWDJMJD-PBHICJAKSA-N 2 2 305.853 3.184 20 0 DGADLP c1cc(-c2ccc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)o2)n[nH]1 ZINC000433326339 238155719 /nfs/dbraw/zinc/15/57/19/238155719.db2.gz KTMOKAJYGCZWNT-UHFFFAOYSA-N 2 2 319.368 3.145 20 0 DGADLP C[NH+](C)Cc1ccccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000433319554 238155957 /nfs/dbraw/zinc/15/59/57/238155957.db2.gz OYHWKIMLXDNHHE-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000272027938 209398364 /nfs/dbraw/zinc/39/83/64/209398364.db2.gz WEWDKKHDTHTZRM-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000272027938 209398365 /nfs/dbraw/zinc/39/83/65/209398365.db2.gz WEWDKKHDTHTZRM-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP Oc1cc(F)cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000433750011 238165590 /nfs/dbraw/zinc/16/55/90/238165590.db2.gz RLKHCYNZWQMOGR-OAHLLOKOSA-N 2 2 315.392 3.054 20 0 DGADLP Fc1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1F ZINC000271990037 209363305 /nfs/dbraw/zinc/36/33/05/209363305.db2.gz PXAIGXHTJYTAKI-UHFFFAOYSA-N 2 2 305.372 3.431 20 0 DGADLP Cc1cc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)c(F)cc1F ZINC000434663155 238225584 /nfs/dbraw/zinc/22/55/84/238225584.db2.gz ODQLWLVMIAHEGT-UHFFFAOYSA-N 2 2 323.412 3.320 20 0 DGADLP CSC1(C[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000434989658 238262317 /nfs/dbraw/zinc/26/23/17/238262317.db2.gz BSWLLILBEJIPBG-DOTOQJQBSA-N 2 2 304.503 3.382 20 0 DGADLP CSC1(C[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434989658 238262319 /nfs/dbraw/zinc/26/23/19/238262319.db2.gz BSWLLILBEJIPBG-DOTOQJQBSA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000271904091 209312385 /nfs/dbraw/zinc/31/23/85/209312385.db2.gz WGQRYKHUTHFUIV-QAPCUYQASA-N 2 2 313.445 3.320 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000246087609 432093477 /nfs/dbraw/zinc/09/34/77/432093477.db2.gz NKOQKJKGYKXXGC-ABAIWWIYSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000246087609 432093480 /nfs/dbraw/zinc/09/34/80/432093480.db2.gz NKOQKJKGYKXXGC-ABAIWWIYSA-N 2 2 309.251 3.120 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000435375923 238295840 /nfs/dbraw/zinc/29/58/40/238295840.db2.gz OXQANFNUVAFFDC-OAHLLOKOSA-N 2 2 314.429 3.053 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000435375923 238295846 /nfs/dbraw/zinc/29/58/46/238295846.db2.gz OXQANFNUVAFFDC-OAHLLOKOSA-N 2 2 314.429 3.053 20 0 DGADLP Fc1ccccc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435388281 238298000 /nfs/dbraw/zinc/29/80/00/238298000.db2.gz DQBXILRZGUUBJD-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccccc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435388281 238298003 /nfs/dbraw/zinc/29/80/03/238298003.db2.gz DQBXILRZGUUBJD-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271891551 209301099 /nfs/dbraw/zinc/30/10/99/209301099.db2.gz XECUFLUZZPHNPI-JQHSSLGASA-N 2 2 313.445 3.360 20 0 DGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271891551 209301102 /nfs/dbraw/zinc/30/11/02/209301102.db2.gz XECUFLUZZPHNPI-JQHSSLGASA-N 2 2 313.445 3.360 20 0 DGADLP COc1cccc(C=C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000271891027 209301110 /nfs/dbraw/zinc/30/11/10/209301110.db2.gz DUINKUPBEPPSCY-UHFFFAOYSA-N 2 2 311.429 3.461 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000193992236 201158443 /nfs/dbraw/zinc/15/84/43/201158443.db2.gz CPXMLRVSJLDFGV-BHIYHBOVSA-N 2 2 323.440 3.310 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442755026 239117730 /nfs/dbraw/zinc/11/77/30/239117730.db2.gz JGGVHQPJRPAGGA-UONOGXRCSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442755026 239117737 /nfs/dbraw/zinc/11/77/37/239117737.db2.gz JGGVHQPJRPAGGA-UONOGXRCSA-N 2 2 316.474 3.364 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443987795 239246268 /nfs/dbraw/zinc/24/62/68/239246268.db2.gz KKBGRNGZIWXONL-NXEZZACHSA-N 2 2 307.385 3.124 20 0 DGADLP Cc1cnc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000135165334 432102644 /nfs/dbraw/zinc/10/26/44/432102644.db2.gz ANAXXDMEQUBDEO-ZDUSSCGKSA-N 2 2 302.447 3.166 20 0 DGADLP COc1ccccc1[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271821163 209243999 /nfs/dbraw/zinc/24/39/99/209243999.db2.gz NGKXVVKEZVWJAN-HNNXBMFYSA-N 2 2 307.397 3.332 20 0 DGADLP COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271821163 209244001 /nfs/dbraw/zinc/24/40/01/209244001.db2.gz NGKXVVKEZVWJAN-HNNXBMFYSA-N 2 2 307.397 3.332 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000275512200 212384659 /nfs/dbraw/zinc/38/46/59/212384659.db2.gz NMBILTMVCPACSP-UHFFFAOYSA-N 2 2 324.403 3.106 20 0 DGADLP COc1cccc2c(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cccc12 ZINC000449102043 240018228 /nfs/dbraw/zinc/01/82/28/240018228.db2.gz IEJKWTQILXFQBA-OAHLLOKOSA-N 2 2 309.413 3.471 20 0 DGADLP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000449091067 240013138 /nfs/dbraw/zinc/01/31/38/240013138.db2.gz PCBYOCPTKILBLV-INIZCTEOSA-N 2 2 304.478 3.433 20 0 DGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000449176381 240052663 /nfs/dbraw/zinc/05/26/63/240052663.db2.gz MUIYRYILJYUHHM-KBXCAEBGSA-N 2 2 318.486 3.391 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000449187021 240057910 /nfs/dbraw/zinc/05/79/10/240057910.db2.gz DCDCIQQLODLMJY-CMTQZCSUSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449187021 240057913 /nfs/dbraw/zinc/05/79/13/240057913.db2.gz DCDCIQQLODLMJY-CMTQZCSUSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)sc1Cl ZINC000449220580 240075769 /nfs/dbraw/zinc/07/57/69/240075769.db2.gz CZZCHWAAYQFTHD-SNVBAGLBSA-N 2 2 323.289 3.255 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccon1 ZINC000449234265 240081752 /nfs/dbraw/zinc/08/17/52/240081752.db2.gz BAAROKUKFFPREI-JKSUJKDBSA-N 2 2 313.445 3.421 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449259555 240096679 /nfs/dbraw/zinc/09/66/79/240096679.db2.gz RMSMYXLTTYYSIT-KRWDZBQOSA-N 2 2 307.397 3.150 20 0 DGADLP C[N@H+](Cc1ccnn1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449318789 240128005 /nfs/dbraw/zinc/12/80/05/240128005.db2.gz FCJRRSCWUSZCDT-BYICEURKSA-N 2 2 302.466 3.055 20 0 DGADLP C[N@@H+](Cc1ccnn1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000449318789 240128007 /nfs/dbraw/zinc/12/80/07/240128007.db2.gz FCJRRSCWUSZCDT-BYICEURKSA-N 2 2 302.466 3.055 20 0 DGADLP C[NH+](Cc1ccnn1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449318789 240128010 /nfs/dbraw/zinc/12/80/10/240128010.db2.gz FCJRRSCWUSZCDT-BYICEURKSA-N 2 2 302.466 3.055 20 0 DGADLP C[NH+](Cc1ccnn1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449318789 240128014 /nfs/dbraw/zinc/12/80/14/240128014.db2.gz FCJRRSCWUSZCDT-BYICEURKSA-N 2 2 302.466 3.055 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCOC1 ZINC000449351749 240149895 /nfs/dbraw/zinc/14/98/95/240149895.db2.gz QWMFAELSQURRPB-CHWSQXEVSA-N 2 2 305.809 3.040 20 0 DGADLP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449380906 240165771 /nfs/dbraw/zinc/16/57/71/240165771.db2.gz XHZWZRBUVTXOIH-MRXNPFEDSA-N 2 2 323.431 3.461 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000449386464 240169419 /nfs/dbraw/zinc/16/94/19/240169419.db2.gz IMFDZEGXVWBMBW-VMWRSERWSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000449386464 240169420 /nfs/dbraw/zinc/16/94/20/240169420.db2.gz IMFDZEGXVWBMBW-VMWRSERWSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449393437 240171232 /nfs/dbraw/zinc/17/12/32/240171232.db2.gz CBLABMBHOLOFBZ-HKUYNNGSSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449393437 240171237 /nfs/dbraw/zinc/17/12/37/240171237.db2.gz CBLABMBHOLOFBZ-HKUYNNGSSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000449399292 240174390 /nfs/dbraw/zinc/17/43/90/240174390.db2.gz ZLEPCZGFFJGSBT-VKJFTORMSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000449399292 240174395 /nfs/dbraw/zinc/17/43/95/240174395.db2.gz ZLEPCZGFFJGSBT-VKJFTORMSA-N 2 2 324.896 3.268 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398486 240174805 /nfs/dbraw/zinc/17/48/05/240174805.db2.gz VEYZXGYLAFGKQP-WOJBJXKFSA-N 2 2 318.505 3.224 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398486 240174814 /nfs/dbraw/zinc/17/48/14/240174814.db2.gz VEYZXGYLAFGKQP-WOJBJXKFSA-N 2 2 318.505 3.224 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCOC1 ZINC000449471414 240228557 /nfs/dbraw/zinc/22/85/57/240228557.db2.gz CQYPTCIUOWLBNT-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCOC1 ZINC000449471414 240228562 /nfs/dbraw/zinc/22/85/62/240228562.db2.gz CQYPTCIUOWLBNT-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)cc2)c[nH+]1 ZINC000449479878 240233278 /nfs/dbraw/zinc/23/32/78/240233278.db2.gz WNRROGJGGNFBRZ-KRWDZBQOSA-N 2 2 311.429 3.311 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000449484166 240235792 /nfs/dbraw/zinc/23/57/92/240235792.db2.gz LJSZKNIFHFWLBI-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449484166 240235797 /nfs/dbraw/zinc/23/57/97/240235797.db2.gz LJSZKNIFHFWLBI-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CO)CC(C)(C)C ZINC000449582627 240304397 /nfs/dbraw/zinc/30/43/97/240304397.db2.gz GPUZCVUAMWAXPW-KRWDZBQOSA-N 2 2 301.434 3.101 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CO)CC(C)(C)C ZINC000449582627 240304402 /nfs/dbraw/zinc/30/44/02/240304402.db2.gz GPUZCVUAMWAXPW-KRWDZBQOSA-N 2 2 301.434 3.101 20 0 DGADLP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449502293 240251654 /nfs/dbraw/zinc/25/16/54/240251654.db2.gz WRZLHFUIJQWEKP-HNNXBMFYSA-N 2 2 309.404 3.071 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](C)O ZINC000449543032 240275407 /nfs/dbraw/zinc/27/54/07/240275407.db2.gz NQAMYTHFNHKOMK-CXAGYDPISA-N 2 2 310.869 3.053 20 0 DGADLP CCC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)COC1 ZINC000449597349 240312244 /nfs/dbraw/zinc/31/22/44/240312244.db2.gz DTQGYPXCFRQYGD-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091669966 193088137 /nfs/dbraw/zinc/08/81/37/193088137.db2.gz MWZOXCDLTYHJLI-UHFFFAOYSA-N 2 2 312.461 3.015 20 0 DGADLP C[C@@H]1Cc2[nH+]cn(Cc3[nH+]ccn3-c3ccccc3)c2C[C@H]1C ZINC000451335195 241086510 /nfs/dbraw/zinc/08/65/10/241086510.db2.gz BLBHYTTXCHUBSB-HUUCEWRRSA-N 2 2 306.413 3.488 20 0 DGADLP c1cc(C[NH2+][C@H](C2CC2)C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000453061653 241607004 /nfs/dbraw/zinc/60/70/04/241607004.db2.gz LFKQTCSLRIYJJD-FQEVSTJZSA-N 2 2 314.473 3.187 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000453072665 241613382 /nfs/dbraw/zinc/61/33/82/241613382.db2.gz FOEODBSFIXUEMU-INIZCTEOSA-N 2 2 312.461 3.158 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(C)cn2)n1-c1ccccc1 ZINC000453606197 241835183 /nfs/dbraw/zinc/83/51/83/241835183.db2.gz VFJRQJXHBUKLDX-UHFFFAOYSA-N 2 2 306.413 3.216 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)[nH+]1 ZINC000455493893 242216307 /nfs/dbraw/zinc/21/63/07/242216307.db2.gz DFRITYSWWYVOLJ-CVEARBPZSA-N 2 2 316.449 3.097 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1nc2ccccc2n1C ZINC000276943478 296116345 /nfs/dbraw/zinc/11/63/45/296116345.db2.gz UKEPVTACRJMBNP-OAHLLOKOSA-N 2 2 314.477 3.346 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000459391107 243355596 /nfs/dbraw/zinc/35/55/96/243355596.db2.gz BVYHZCMVRGSKLI-OAHLLOKOSA-N 2 2 301.409 3.371 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000459391107 243355600 /nfs/dbraw/zinc/35/56/00/243355600.db2.gz BVYHZCMVRGSKLI-OAHLLOKOSA-N 2 2 301.409 3.371 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459408295 243360819 /nfs/dbraw/zinc/36/08/19/243360819.db2.gz LNWZXTOUEOYATM-CQSZACIVSA-N 2 2 323.362 3.471 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459408295 243360822 /nfs/dbraw/zinc/36/08/22/243360822.db2.gz LNWZXTOUEOYATM-CQSZACIVSA-N 2 2 323.362 3.471 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000459423411 243363482 /nfs/dbraw/zinc/36/34/82/243363482.db2.gz JPQJJGWBKUJFDL-DGCLKSJQSA-N 2 2 312.841 3.017 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000459423411 243363484 /nfs/dbraw/zinc/36/34/84/243363484.db2.gz JPQJJGWBKUJFDL-DGCLKSJQSA-N 2 2 312.841 3.017 20 0 DGADLP Oc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016776 193195263 /nfs/dbraw/zinc/19/52/63/193195263.db2.gz UFQRGHMMYNAHCK-GOSISDBHSA-N 2 2 302.462 3.480 20 0 DGADLP Oc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016776 193195264 /nfs/dbraw/zinc/19/52/64/193195264.db2.gz UFQRGHMMYNAHCK-GOSISDBHSA-N 2 2 302.462 3.480 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468368481 244037989 /nfs/dbraw/zinc/03/79/89/244037989.db2.gz UIHMEUNQSQYYAS-XLIONFOSSA-N 2 2 324.468 3.435 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000468368481 244037995 /nfs/dbraw/zinc/03/79/95/244037995.db2.gz UIHMEUNQSQYYAS-XLIONFOSSA-N 2 2 324.468 3.435 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3coc4ccccc34)CC2)c1 ZINC000093078954 193200402 /nfs/dbraw/zinc/20/04/02/193200402.db2.gz HVDSVTSCCDZVLK-UHFFFAOYSA-N 2 2 323.396 3.159 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000470009311 244138579 /nfs/dbraw/zinc/13/85/79/244138579.db2.gz QVADJMXIVSFMEQ-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000470009311 244138585 /nfs/dbraw/zinc/13/85/85/244138585.db2.gz QVADJMXIVSFMEQ-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(Br)s2)C1 ZINC000470017630 244140741 /nfs/dbraw/zinc/14/07/41/244140741.db2.gz KRSJUCOBGZDHDI-LLVKDONJSA-N 2 2 317.296 3.250 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(Br)s2)C1 ZINC000470017630 244140747 /nfs/dbraw/zinc/14/07/47/244140747.db2.gz KRSJUCOBGZDHDI-LLVKDONJSA-N 2 2 317.296 3.250 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc(Cl)c1 ZINC000470196327 244155340 /nfs/dbraw/zinc/15/53/40/244155340.db2.gz TYOODHYUYHUKFO-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc(Cl)c1 ZINC000470196327 244155344 /nfs/dbraw/zinc/15/53/44/244155344.db2.gz TYOODHYUYHUKFO-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(Cl)c1 ZINC000470196327 244155346 /nfs/dbraw/zinc/15/53/46/244155346.db2.gz TYOODHYUYHUKFO-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc(Cl)c1 ZINC000470196327 244155349 /nfs/dbraw/zinc/15/53/49/244155349.db2.gz TYOODHYUYHUKFO-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000093174132 193210700 /nfs/dbraw/zinc/21/07/00/193210700.db2.gz KFIWUWXIYBWRGX-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000093174132 193210702 /nfs/dbraw/zinc/21/07/02/193210702.db2.gz KFIWUWXIYBWRGX-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccnc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000093174132 193210703 /nfs/dbraw/zinc/21/07/03/193210703.db2.gz KFIWUWXIYBWRGX-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccnc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000093174132 193210705 /nfs/dbraw/zinc/21/07/05/193210705.db2.gz KFIWUWXIYBWRGX-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000473992824 244358849 /nfs/dbraw/zinc/35/88/49/244358849.db2.gz FSBBLFFRGKCUBQ-DOTOQJQBSA-N 2 2 302.462 3.499 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000473992824 244358860 /nfs/dbraw/zinc/35/88/60/244358860.db2.gz FSBBLFFRGKCUBQ-DOTOQJQBSA-N 2 2 302.462 3.499 20 0 DGADLP [NH3+]CC1(CC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCCCC1 ZINC000262661706 203370929 /nfs/dbraw/zinc/37/09/29/203370929.db2.gz LWFGJAJMXPQCCO-UHFFFAOYSA-N 2 2 312.417 3.315 20 0 DGADLP Cc1cccn2c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc12 ZINC000093563967 193269583 /nfs/dbraw/zinc/26/95/83/193269583.db2.gz CPLBFQVATCUNFA-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc12 ZINC000093563967 193269584 /nfs/dbraw/zinc/26/95/84/193269584.db2.gz CPLBFQVATCUNFA-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2c(CN3CCC[C@@H]([NH+]4CCCC4)CC3)c[nH+]c12 ZINC000093563967 193269585 /nfs/dbraw/zinc/26/95/85/193269585.db2.gz CPLBFQVATCUNFA-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000093597955 193272292 /nfs/dbraw/zinc/27/22/92/193272292.db2.gz VXIRUQKNCMWLLE-CQSZACIVSA-N 2 2 307.507 3.358 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000093597955 193272294 /nfs/dbraw/zinc/27/22/94/193272294.db2.gz VXIRUQKNCMWLLE-CQSZACIVSA-N 2 2 307.507 3.358 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741889 193297990 /nfs/dbraw/zinc/29/79/90/193297990.db2.gz BRNPHSQTBVUBNL-HNNXBMFYSA-N 2 2 324.538 3.153 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741889 193297991 /nfs/dbraw/zinc/29/79/91/193297991.db2.gz BRNPHSQTBVUBNL-HNNXBMFYSA-N 2 2 324.538 3.153 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741889 193297993 /nfs/dbraw/zinc/29/79/93/193297993.db2.gz BRNPHSQTBVUBNL-HNNXBMFYSA-N 2 2 324.538 3.153 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741889 193297995 /nfs/dbraw/zinc/29/79/95/193297995.db2.gz BRNPHSQTBVUBNL-HNNXBMFYSA-N 2 2 324.538 3.153 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741996 193298665 /nfs/dbraw/zinc/29/86/65/193298665.db2.gz SZKDIGDHVFMTFQ-OAHLLOKOSA-N 2 2 316.449 3.142 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741996 193298667 /nfs/dbraw/zinc/29/86/67/193298667.db2.gz SZKDIGDHVFMTFQ-OAHLLOKOSA-N 2 2 316.449 3.142 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741996 193298668 /nfs/dbraw/zinc/29/86/68/193298668.db2.gz SZKDIGDHVFMTFQ-OAHLLOKOSA-N 2 2 316.449 3.142 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741996 193298670 /nfs/dbraw/zinc/29/86/70/193298670.db2.gz SZKDIGDHVFMTFQ-OAHLLOKOSA-N 2 2 316.449 3.142 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742153 193298679 /nfs/dbraw/zinc/29/86/79/193298679.db2.gz WSAGFPQZDULMKA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742153 193298681 /nfs/dbraw/zinc/29/86/81/193298681.db2.gz WSAGFPQZDULMKA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742153 193298683 /nfs/dbraw/zinc/29/86/83/193298683.db2.gz WSAGFPQZDULMKA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742153 193298685 /nfs/dbraw/zinc/29/86/85/193298685.db2.gz WSAGFPQZDULMKA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CC[N@@H+](Cc1cncs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818730 193313938 /nfs/dbraw/zinc/31/39/38/193313938.db2.gz CEVGVMCVMOYADI-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[N@H+](Cc1cncs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818730 193313939 /nfs/dbraw/zinc/31/39/39/193313939.db2.gz CEVGVMCVMOYADI-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1cncs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818730 193313941 /nfs/dbraw/zinc/31/39/41/193313941.db2.gz CEVGVMCVMOYADI-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1cncs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818730 193313943 /nfs/dbraw/zinc/31/39/43/193313943.db2.gz CEVGVMCVMOYADI-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1N(C)C ZINC000093942080 193331430 /nfs/dbraw/zinc/33/14/30/193331430.db2.gz KKPYFBNWYKFISG-HNNXBMFYSA-N 2 2 308.429 3.294 20 0 DGADLP C[C@@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000094341502 193362444 /nfs/dbraw/zinc/36/24/44/193362444.db2.gz XGMNFPXMDBGDNL-ABAIWWIYSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000094341502 193362446 /nfs/dbraw/zinc/36/24/46/193362446.db2.gz XGMNFPXMDBGDNL-ABAIWWIYSA-N 2 2 305.809 3.164 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000120952961 284182768 /nfs/dbraw/zinc/18/27/68/284182768.db2.gz YHNSQWZLSIUCTI-MJGOQNOKSA-N 2 2 302.462 3.090 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000120952961 284182769 /nfs/dbraw/zinc/18/27/69/284182769.db2.gz YHNSQWZLSIUCTI-MJGOQNOKSA-N 2 2 302.462 3.090 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1)C1CC1 ZINC000121235358 284191645 /nfs/dbraw/zinc/19/16/45/284191645.db2.gz HJMWVEWFWWSWEJ-IBGZPJMESA-N 2 2 302.462 3.090 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1)C1CC1 ZINC000121235358 284191651 /nfs/dbraw/zinc/19/16/51/284191651.db2.gz HJMWVEWFWWSWEJ-IBGZPJMESA-N 2 2 302.462 3.090 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331578 284217612 /nfs/dbraw/zinc/21/76/12/284217612.db2.gz MHXZRMMLDCLNMG-BXUZGUMPSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331578 284217613 /nfs/dbraw/zinc/21/76/13/284217613.db2.gz MHXZRMMLDCLNMG-BXUZGUMPSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487579445 245078926 /nfs/dbraw/zinc/07/89/26/245078926.db2.gz WERAGMSQPCNEIZ-IFKDRHBRSA-N 2 2 307.441 3.205 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487579445 245078928 /nfs/dbraw/zinc/07/89/28/245078928.db2.gz WERAGMSQPCNEIZ-IFKDRHBRSA-N 2 2 307.441 3.205 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@@H]2CCC[N@H+]2C)C3)cc1 ZINC000487959450 245129565 /nfs/dbraw/zinc/12/95/65/245129565.db2.gz CBZJFGRLZGLODK-KRWDZBQOSA-N 2 2 324.472 3.023 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@@H]2CCC[N@@H+]2C)C3)cc1 ZINC000487959450 245129568 /nfs/dbraw/zinc/12/95/68/245129568.db2.gz CBZJFGRLZGLODK-KRWDZBQOSA-N 2 2 324.472 3.023 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314523 245176721 /nfs/dbraw/zinc/17/67/21/245176721.db2.gz OFDCHSAKZUCBSO-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314523 245176723 /nfs/dbraw/zinc/17/67/23/245176723.db2.gz OFDCHSAKZUCBSO-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314523 245176727 /nfs/dbraw/zinc/17/67/27/245176727.db2.gz OFDCHSAKZUCBSO-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314523 245176731 /nfs/dbraw/zinc/17/67/31/245176731.db2.gz OFDCHSAKZUCBSO-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2C[C@H]2C)CCOCC1)c1ccccc1 ZINC000488457644 245196687 /nfs/dbraw/zinc/19/66/87/245196687.db2.gz LYIZRIJHDAPYSP-RYRKJORJSA-N 2 2 302.462 3.132 20 0 DGADLP Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488713086 245221041 /nfs/dbraw/zinc/22/10/41/245221041.db2.gz LCCSGYDHWZXJKB-CQSZACIVSA-N 2 2 302.466 3.219 20 0 DGADLP Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488713086 245221043 /nfs/dbraw/zinc/22/10/43/245221043.db2.gz LCCSGYDHWZXJKB-CQSZACIVSA-N 2 2 302.466 3.219 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000282469913 217020186 /nfs/dbraw/zinc/02/01/86/217020186.db2.gz PGWJVRLMVLBOAG-CMPLNLGQSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000282469913 217020188 /nfs/dbraw/zinc/02/01/88/217020188.db2.gz PGWJVRLMVLBOAG-CMPLNLGQSA-N 2 2 317.296 3.331 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000282613649 217126668 /nfs/dbraw/zinc/12/66/68/217126668.db2.gz LCDMOCDSIKRKNW-NHYWBVRUSA-N 2 2 320.234 3.311 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135563350 432126503 /nfs/dbraw/zinc/12/65/03/432126503.db2.gz TWBIHABCFUVCFS-GOSISDBHSA-N 2 2 321.428 3.115 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000282659006 217157976 /nfs/dbraw/zinc/15/79/76/217157976.db2.gz IJUDAZKRBNVIGC-MRXNPFEDSA-N 2 2 313.445 3.341 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCCOC)c1cccc(OC)c1 ZINC000268734531 432128138 /nfs/dbraw/zinc/12/81/38/432128138.db2.gz CXHOQHYFWPXPIY-APWZRJJASA-N 2 2 322.493 3.483 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000246412836 432128989 /nfs/dbraw/zinc/12/89/89/432128989.db2.gz QVARUAVTIPTXRN-HOCLYGCPSA-N 2 2 300.450 3.053 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000246412836 432128991 /nfs/dbraw/zinc/12/89/91/432128991.db2.gz QVARUAVTIPTXRN-HOCLYGCPSA-N 2 2 300.450 3.053 20 0 DGADLP CCOCC(C)(C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000288530972 220206984 /nfs/dbraw/zinc/20/69/84/220206984.db2.gz KFOOTOMCCRSHIF-UHFFFAOYSA-N 2 2 301.434 3.333 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000019983755 182173511 /nfs/dbraw/zinc/17/35/11/182173511.db2.gz WTIJZMNNMRTYAJ-GFCCVEGCSA-N 2 2 302.340 3.332 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000020189603 182195460 /nfs/dbraw/zinc/19/54/60/182195460.db2.gz WRPKUQJVWANXPI-UHFFFAOYSA-N 2 2 301.228 3.006 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000268782929 432133059 /nfs/dbraw/zinc/13/30/59/432133059.db2.gz AADRYUFEXHYQTJ-RYUDHWBXSA-N 2 2 323.824 3.293 20 0 DGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000493632611 246027858 /nfs/dbraw/zinc/02/78/58/246027858.db2.gz PNDXDGRYNRZNTE-OAGJVSPASA-N 2 2 324.428 3.104 20 0 DGADLP O=C(/C=C/c1[nH]cc[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493699926 246044950 /nfs/dbraw/zinc/04/49/50/246044950.db2.gz WPUDTQIYOYXEGJ-CMDGGOBGSA-N 2 2 324.428 3.090 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000493892381 246093649 /nfs/dbraw/zinc/09/36/49/246093649.db2.gz VQMWWOANKLNFIB-OAHLLOKOSA-N 2 2 323.278 3.430 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494428424 246146726 /nfs/dbraw/zinc/14/67/26/246146726.db2.gz ICTWWAXMINSJLR-OAHLLOKOSA-N 2 2 324.453 3.420 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000494412199 246144995 /nfs/dbraw/zinc/14/49/95/246144995.db2.gz PPLXVWHEDAFTNT-ZDUSSCGKSA-N 2 2 320.234 3.059 20 0 DGADLP Fc1ccccc1-c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC000494410965 246145057 /nfs/dbraw/zinc/14/50/57/246145057.db2.gz MLQZMXPOOPOJDZ-ZDUSSCGKSA-N 2 2 311.360 3.387 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)cs1 ZINC000494939696 246213894 /nfs/dbraw/zinc/21/38/94/246213894.db2.gz REKJOGIQPUACHK-BPLDGKMQSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)cs1 ZINC000494939696 246213899 /nfs/dbraw/zinc/21/38/99/246213899.db2.gz REKJOGIQPUACHK-BPLDGKMQSA-N 2 2 314.882 3.085 20 0 DGADLP CC[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)NC(=O)OC(C)(C)C ZINC000495916691 246327339 /nfs/dbraw/zinc/32/73/39/246327339.db2.gz YPQYIKRWDFOQSI-MRXNPFEDSA-N 2 2 321.465 3.216 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268815471 432140959 /nfs/dbraw/zinc/14/09/59/432140959.db2.gz MCFFJJQRXJYRCI-MNOVXSKESA-N 2 2 313.323 3.363 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000246544619 432142099 /nfs/dbraw/zinc/14/20/99/432142099.db2.gz WEOQUZKAVCRAAS-JCGIZDLHSA-N 2 2 320.477 3.261 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccco2)CCOCC1)c1ccccc1 ZINC000152373392 284617214 /nfs/dbraw/zinc/61/72/14/284617214.db2.gz HSIRKZXMUPUHJW-INIZCTEOSA-N 2 2 314.429 3.269 20 0 DGADLP COCCC[NH+]1CCC(Nc2[nH+]c3ccccc3cc2C)CC1 ZINC000301725479 229855381 /nfs/dbraw/zinc/85/53/81/229855381.db2.gz PQSXGSVLTNRIRE-UHFFFAOYSA-N 2 2 313.445 3.456 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(Br)c1 ZINC000041119697 183166716 /nfs/dbraw/zinc/16/67/16/183166716.db2.gz HNDGDDSBUAJTKL-JTQLQIEISA-N 2 2 312.186 3.136 20 0 DGADLP Brc1ccc(C2CC([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000041119526 183166861 /nfs/dbraw/zinc/16/68/61/183166861.db2.gz PFGUUNWALIAQJJ-UHFFFAOYSA-N 2 2 320.234 3.181 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1Br ZINC000042427249 183269347 /nfs/dbraw/zinc/26/93/47/183269347.db2.gz LSUSVSVYVXAQSI-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1Br ZINC000042427249 183269350 /nfs/dbraw/zinc/26/93/50/183269350.db2.gz LSUSVSVYVXAQSI-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP CCCc1csc(C[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000494306985 535450158 /nfs/dbraw/zinc/45/01/58/535450158.db2.gz DXGTTYSMLFYHEQ-UHFFFAOYSA-N 2 2 304.463 3.473 20 0 DGADLP CCCc1csc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000494146624 535451704 /nfs/dbraw/zinc/45/17/04/535451704.db2.gz ULQHCYNJQQWFIB-ZDUSSCGKSA-N 2 2 304.463 3.268 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)[nH]1 ZINC000285166521 218317008 /nfs/dbraw/zinc/31/70/08/218317008.db2.gz UVJZQYKFQBWNIT-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)[nH]1 ZINC000285166521 218317011 /nfs/dbraw/zinc/31/70/11/218317011.db2.gz UVJZQYKFQBWNIT-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285237349 218345572 /nfs/dbraw/zinc/34/55/72/218345572.db2.gz PNWBIPGUSGGNOF-QAPCUYQASA-N 2 2 312.461 3.361 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285237349 218345574 /nfs/dbraw/zinc/34/55/74/218345574.db2.gz PNWBIPGUSGGNOF-QAPCUYQASA-N 2 2 312.461 3.361 20 0 DGADLP c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000285290274 218367198 /nfs/dbraw/zinc/36/71/98/218367198.db2.gz GIKRDYXJNPQARZ-SFHVURJKSA-N 2 2 307.401 3.323 20 0 DGADLP c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000285290274 218367200 /nfs/dbraw/zinc/36/72/00/218367200.db2.gz GIKRDYXJNPQARZ-SFHVURJKSA-N 2 2 307.401 3.323 20 0 DGADLP CC(C)c1nc(NC2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1 ZINC000110228390 194316680 /nfs/dbraw/zinc/31/66/80/194316680.db2.gz RVNUXEKWUYVKGG-UHFFFAOYSA-N 2 2 311.433 3.072 20 0 DGADLP CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268859754 207027274 /nfs/dbraw/zinc/02/72/74/207027274.db2.gz FTFQRNQEQMINEK-QGZVFWFLSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906796 207076280 /nfs/dbraw/zinc/07/62/80/207076280.db2.gz MCPWNNRKJURGSC-LAUBAEHRSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906796 207076285 /nfs/dbraw/zinc/07/62/85/207076285.db2.gz MCPWNNRKJURGSC-LAUBAEHRSA-N 2 2 323.484 3.250 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000268925273 207091982 /nfs/dbraw/zinc/09/19/82/207091982.db2.gz VYAADKMSHZUHBV-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000268925273 207091986 /nfs/dbraw/zinc/09/19/86/207091986.db2.gz VYAADKMSHZUHBV-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP CCCCC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000268950726 207113754 /nfs/dbraw/zinc/11/37/54/207113754.db2.gz VCQDLSVOMQVBJF-MOPGFXCFSA-N 2 2 303.494 3.143 20 0 DGADLP CCCCC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000268950726 207113757 /nfs/dbraw/zinc/11/37/57/207113757.db2.gz VCQDLSVOMQVBJF-MOPGFXCFSA-N 2 2 303.494 3.143 20 0 DGADLP CCCCC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000268950732 207114350 /nfs/dbraw/zinc/11/43/50/207114350.db2.gz VCQDLSVOMQVBJF-RBUKOAKNSA-N 2 2 303.494 3.143 20 0 DGADLP CCCCC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000268950732 207114355 /nfs/dbraw/zinc/11/43/55/207114355.db2.gz VCQDLSVOMQVBJF-RBUKOAKNSA-N 2 2 303.494 3.143 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000268951429 207116256 /nfs/dbraw/zinc/11/62/56/207116256.db2.gz CKECVVMAVIVADK-WMLDXEAASA-N 2 2 311.385 3.158 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984106 207142420 /nfs/dbraw/zinc/14/24/20/207142420.db2.gz DQQPGHMWTCXLKQ-BEFAXECRSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984106 207142422 /nfs/dbraw/zinc/14/24/22/207142422.db2.gz DQQPGHMWTCXLKQ-BEFAXECRSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269001135 207156943 /nfs/dbraw/zinc/15/69/43/207156943.db2.gz LNGUDGUAAJBUMX-OAHLLOKOSA-N 3 2 323.912 3.234 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC000269048785 207198814 /nfs/dbraw/zinc/19/88/14/207198814.db2.gz VNQUEBLVQOHXGQ-RYUDHWBXSA-N 2 2 314.857 3.348 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191693 184277011 /nfs/dbraw/zinc/27/70/11/184277011.db2.gz MZXJMUARFXWURX-RISCZKNCSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191693 184277013 /nfs/dbraw/zinc/27/70/13/184277013.db2.gz MZXJMUARFXWURX-RISCZKNCSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191694 184277142 /nfs/dbraw/zinc/27/71/42/184277142.db2.gz MZXJMUARFXWURX-SMDDNHRTSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191694 184277144 /nfs/dbraw/zinc/27/71/44/184277144.db2.gz MZXJMUARFXWURX-SMDDNHRTSA-N 2 2 302.340 3.287 20 0 DGADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1SC ZINC000063917103 184290295 /nfs/dbraw/zinc/29/02/95/184290295.db2.gz KAXJSQXHSSMGMF-ZDUSSCGKSA-N 2 2 305.447 3.040 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119687873 195017726 /nfs/dbraw/zinc/01/77/26/195017726.db2.gz COBUUABFMBPYIT-OAHLLOKOSA-N 3 2 324.472 3.458 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000120047005 195088027 /nfs/dbraw/zinc/08/80/27/195088027.db2.gz GTYLVVICVAYPOD-URLQWDBASA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000120047005 195088029 /nfs/dbraw/zinc/08/80/29/195088029.db2.gz GTYLVVICVAYPOD-URLQWDBASA-N 2 2 324.472 3.407 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000120053687 195089214 /nfs/dbraw/zinc/08/92/14/195089214.db2.gz AVLURJLXDOYNHV-BXWFABGCSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000120053687 195089216 /nfs/dbraw/zinc/08/92/16/195089216.db2.gz AVLURJLXDOYNHV-BXWFABGCSA-N 2 2 312.461 3.217 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249168935 285060920 /nfs/dbraw/zinc/06/09/20/285060920.db2.gz AJVSBKJXHAPAER-ZWKOTPCHSA-N 2 2 312.461 3.353 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249168935 285060922 /nfs/dbraw/zinc/06/09/22/285060922.db2.gz AJVSBKJXHAPAER-ZWKOTPCHSA-N 2 2 312.461 3.353 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249410892 285072908 /nfs/dbraw/zinc/07/29/08/285072908.db2.gz XWWVGLQHAFOIBM-SOUVJXGZSA-N 2 2 322.415 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249410892 285072909 /nfs/dbraw/zinc/07/29/09/285072909.db2.gz XWWVGLQHAFOIBM-SOUVJXGZSA-N 2 2 322.415 3.054 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000336853830 253008052 /nfs/dbraw/zinc/00/80/52/253008052.db2.gz KKUHIKUCYKAIDD-AWEZNQCLSA-N 2 2 322.840 3.195 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000336853830 253008054 /nfs/dbraw/zinc/00/80/54/253008054.db2.gz KKUHIKUCYKAIDD-AWEZNQCLSA-N 2 2 322.840 3.195 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000337195672 253059960 /nfs/dbraw/zinc/05/99/60/253059960.db2.gz WYWSVKHAQPDQIN-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP CC(C)n1nccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000337266953 253073883 /nfs/dbraw/zinc/07/38/83/253073883.db2.gz ZPYGEQYQRAGLOP-OALUTQOASA-N 2 2 324.472 3.028 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337273479 253075424 /nfs/dbraw/zinc/07/54/24/253075424.db2.gz PCGQHKWIWBBJKN-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337273479 253075427 /nfs/dbraw/zinc/07/54/27/253075427.db2.gz PCGQHKWIWBBJKN-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337275505 253075995 /nfs/dbraw/zinc/07/59/95/253075995.db2.gz QKXZJVFHGGNRHS-CQSZACIVSA-N 2 2 323.868 3.085 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337275505 253075997 /nfs/dbraw/zinc/07/59/97/253075997.db2.gz QKXZJVFHGGNRHS-CQSZACIVSA-N 2 2 323.868 3.085 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCC[C@@H]3OC(F)F)n2c1 ZINC000337281528 253077810 /nfs/dbraw/zinc/07/78/10/253077810.db2.gz HWEXYZKEQGWLSV-KBPBESRZSA-N 2 2 309.360 3.283 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000337780132 253173630 /nfs/dbraw/zinc/17/36/30/253173630.db2.gz AOMCBARAYGKAQX-UXPWSPDFSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000337780132 253173632 /nfs/dbraw/zinc/17/36/32/253173632.db2.gz AOMCBARAYGKAQX-UXPWSPDFSA-N 2 2 316.489 3.180 20 0 DGADLP COCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000338012693 253210131 /nfs/dbraw/zinc/21/01/31/253210131.db2.gz MGRGXZDZQSMCCF-MRXNPFEDSA-N 2 2 305.466 3.091 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)[C@@H]3CCOC3)ccc2n1C1CC1 ZINC000338783191 253350972 /nfs/dbraw/zinc/35/09/72/253350972.db2.gz UDMLVQHAGRVPQC-UKRRQHHQSA-N 2 2 313.445 3.448 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000338991291 253384555 /nfs/dbraw/zinc/38/45/55/253384555.db2.gz MSBUCQCRLCANQD-VQIMIIECSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000338991291 253384558 /nfs/dbraw/zinc/38/45/58/253384558.db2.gz MSBUCQCRLCANQD-VQIMIIECSA-N 2 2 302.462 3.323 20 0 DGADLP CCc1noc(C)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000340445029 253623771 /nfs/dbraw/zinc/62/37/71/253623771.db2.gz UMTASNUINAETOT-UHFFFAOYSA-N 2 2 305.466 3.432 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000341145180 253752896 /nfs/dbraw/zinc/75/28/96/253752896.db2.gz YNBJGWFUPBBKOK-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP COCCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000158273684 197258780 /nfs/dbraw/zinc/25/87/80/197258780.db2.gz OSDVITMOPMEWEI-UHFFFAOYSA-N 2 2 310.869 3.321 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342675072 254030112 /nfs/dbraw/zinc/03/01/12/254030112.db2.gz JRSPHLDLXXSGOK-LJQANCHMSA-N 2 2 324.403 3.184 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000342739732 254040268 /nfs/dbraw/zinc/04/02/68/254040268.db2.gz QHOHVFZZJGYACC-FGTMMUONSA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000342739732 254040270 /nfs/dbraw/zinc/04/02/70/254040270.db2.gz QHOHVFZZJGYACC-FGTMMUONSA-N 2 2 301.478 3.490 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000343456806 254146482 /nfs/dbraw/zinc/14/64/82/254146482.db2.gz OGCWGJRRBHSKPG-WFASDCNBSA-N 2 2 323.362 3.438 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)CCS2 ZINC000343461925 254146811 /nfs/dbraw/zinc/14/68/11/254146811.db2.gz JLVGUGACLSYJTJ-VBNZEHGJSA-N 2 2 306.475 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)CCS2 ZINC000343461925 254146812 /nfs/dbraw/zinc/14/68/12/254146812.db2.gz JLVGUGACLSYJTJ-VBNZEHGJSA-N 2 2 306.475 3.304 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703133 254179340 /nfs/dbraw/zinc/17/93/40/254179340.db2.gz ZKADMDYCSWUXFQ-SJLPKXTDSA-N 2 2 304.482 3.091 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703133 254179341 /nfs/dbraw/zinc/17/93/41/254179341.db2.gz ZKADMDYCSWUXFQ-SJLPKXTDSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@H](C[N@H+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703133 254179342 /nfs/dbraw/zinc/17/93/42/254179342.db2.gz ZKADMDYCSWUXFQ-SJLPKXTDSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703133 254179344 /nfs/dbraw/zinc/17/93/44/254179344.db2.gz ZKADMDYCSWUXFQ-SJLPKXTDSA-N 2 2 304.482 3.091 20 0 DGADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1Cl ZINC000343753713 254184662 /nfs/dbraw/zinc/18/46/62/254184662.db2.gz UHKMGZAKYYGNOG-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1Cl ZINC000343753713 254184664 /nfs/dbraw/zinc/18/46/64/254184664.db2.gz UHKMGZAKYYGNOG-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343830462 254193646 /nfs/dbraw/zinc/19/36/46/254193646.db2.gz BMDVUPJFEWNREG-VIFPVBQESA-N 2 2 309.401 3.400 20 0 DGADLP CCCN(CCCn1cc[nH+]c1C)CC[NH+]1CCCCCC1 ZINC000344043253 254217243 /nfs/dbraw/zinc/21/72/43/254217243.db2.gz XBCCMLQMPPZTKP-UHFFFAOYSA-N 2 2 306.498 3.170 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)C12CCC2 ZINC000344157074 254232704 /nfs/dbraw/zinc/23/27/04/254232704.db2.gz ZUSNVYMNPRHWHS-CEXWTWQISA-N 2 2 316.489 3.097 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174366 254235281 /nfs/dbraw/zinc/23/52/81/254235281.db2.gz QQNJJZHENROSDV-QZTJIDSGSA-N 2 2 321.484 3.138 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174366 254235283 /nfs/dbraw/zinc/23/52/83/254235283.db2.gz QQNJJZHENROSDV-QZTJIDSGSA-N 2 2 321.484 3.138 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@@H+]1C ZINC000344356149 254261542 /nfs/dbraw/zinc/26/15/42/254261542.db2.gz MATKEXZQRGQKNL-SWLSCSKDSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@H+]1C ZINC000344356149 254261544 /nfs/dbraw/zinc/26/15/44/254261544.db2.gz MATKEXZQRGQKNL-SWLSCSKDSA-N 2 2 316.367 3.200 20 0 DGADLP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344587120 254285462 /nfs/dbraw/zinc/28/54/62/254285462.db2.gz RXWFXHABWUEXQV-BZSNNMDCSA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344587120 254285463 /nfs/dbraw/zinc/28/54/63/254285463.db2.gz RXWFXHABWUEXQV-BZSNNMDCSA-N 2 2 324.509 3.447 20 0 DGADLP CO[C@@]1(C)C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000344740477 254301722 /nfs/dbraw/zinc/30/17/22/254301722.db2.gz MDTGBJNUUHUJKT-HKUYNNGSSA-N 2 2 313.445 3.474 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000345379812 254358262 /nfs/dbraw/zinc/35/82/62/254358262.db2.gz XKQJXLDVXJUHOP-HNNXBMFYSA-N 2 2 322.468 3.408 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000120343300 195147507 /nfs/dbraw/zinc/14/75/07/195147507.db2.gz UWEDIAIKYJCTBR-KRWDZBQOSA-N 2 2 318.465 3.268 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000156101443 197086865 /nfs/dbraw/zinc/08/68/65/197086865.db2.gz GFNAMHLLGGSAJW-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@H+]1C ZINC000156101443 197086867 /nfs/dbraw/zinc/08/68/67/197086867.db2.gz GFNAMHLLGGSAJW-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP COC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000155432266 197053889 /nfs/dbraw/zinc/05/38/89/197053889.db2.gz UPUOMMGUYPTFSY-CQSZACIVSA-N 2 2 310.869 3.177 20 0 DGADLP C[N@H+](Cc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527373 285235964 /nfs/dbraw/zinc/23/59/64/285235964.db2.gz OTCBAQNHNCTOEE-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP C[N@@H+](Cc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527373 285235967 /nfs/dbraw/zinc/23/59/67/285235967.db2.gz OTCBAQNHNCTOEE-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285527373 285235970 /nfs/dbraw/zinc/23/59/70/285235970.db2.gz OTCBAQNHNCTOEE-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285527373 285235973 /nfs/dbraw/zinc/23/59/73/285235973.db2.gz OTCBAQNHNCTOEE-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000415078287 533189347 /nfs/dbraw/zinc/18/93/47/533189347.db2.gz GKKTWFVOGNTXOV-HKUYNNGSSA-N 2 2 314.404 3.070 20 0 DGADLP COc1ccc2[nH+]c(C)nc(N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC000301940728 285275425 /nfs/dbraw/zinc/27/54/25/285275425.db2.gz VZPABBMFJMLZJR-ZIAGYGMSSA-N 2 2 314.433 3.232 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198809 285282043 /nfs/dbraw/zinc/28/20/43/285282043.db2.gz OCPBEUSVWVQFFZ-ROUUACIJSA-N 2 2 324.509 3.162 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198809 285282045 /nfs/dbraw/zinc/28/20/45/285282045.db2.gz OCPBEUSVWVQFFZ-ROUUACIJSA-N 2 2 324.509 3.162 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616804 221105554 /nfs/dbraw/zinc/10/55/54/221105554.db2.gz URUUMKFPTTUONR-GWCFXTLKSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616804 221105555 /nfs/dbraw/zinc/10/55/55/221105555.db2.gz URUUMKFPTTUONR-GWCFXTLKSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632779 221115730 /nfs/dbraw/zinc/11/57/30/221115730.db2.gz VZFIITFKUUSISK-CMPLNLGQSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632779 221115733 /nfs/dbraw/zinc/11/57/33/221115733.db2.gz VZFIITFKUUSISK-CMPLNLGQSA-N 2 2 317.260 3.099 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000289885621 221292501 /nfs/dbraw/zinc/29/25/01/221292501.db2.gz MQLLCDCLVCTLAO-UHFFFAOYSA-N 2 2 312.461 3.384 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000289895365 221299796 /nfs/dbraw/zinc/29/97/96/221299796.db2.gz SVBODURFZGFSGL-OAHLLOKOSA-N 2 2 321.428 3.184 20 0 DGADLP CC(C)C(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290021328 221384467 /nfs/dbraw/zinc/38/44/67/221384467.db2.gz SUYQFFIFAMMOKF-UHFFFAOYSA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)C(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290021328 221384468 /nfs/dbraw/zinc/38/44/68/221384468.db2.gz SUYQFFIFAMMOKF-UHFFFAOYSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cnn(C)c1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000290012498 221378786 /nfs/dbraw/zinc/37/87/86/221378786.db2.gz MAFUGJUYGXEPIM-INIZCTEOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1cnn(C)c1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000290012498 221378788 /nfs/dbraw/zinc/37/87/88/221378788.db2.gz MAFUGJUYGXEPIM-INIZCTEOSA-N 2 2 323.444 3.051 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000290130639 221437257 /nfs/dbraw/zinc/43/72/57/221437257.db2.gz LRJLWCQXLZEZKP-FQEVSTJZSA-N 2 2 321.424 3.465 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@@H](c4cccnc4)C3)n2c1 ZINC000294976283 224352424 /nfs/dbraw/zinc/35/24/24/224352424.db2.gz JJNINHHFFKWDPP-SJLPKXTDSA-N 2 2 322.412 3.048 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC=C(c3ccco3)C2)s1 ZINC000348676183 285342066 /nfs/dbraw/zinc/34/20/66/285342066.db2.gz SEMYWLBSVMBMKV-UHFFFAOYSA-N 2 2 303.431 3.087 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC=C(c3ccco3)C2)s1 ZINC000348676183 285342067 /nfs/dbraw/zinc/34/20/67/285342067.db2.gz SEMYWLBSVMBMKV-UHFFFAOYSA-N 2 2 303.431 3.087 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000352535048 285353180 /nfs/dbraw/zinc/35/31/80/285353180.db2.gz LUFSYZAMFIWWLV-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000352535048 285353184 /nfs/dbraw/zinc/35/31/84/285353184.db2.gz LUFSYZAMFIWWLV-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540486 285355411 /nfs/dbraw/zinc/35/54/11/285355411.db2.gz LSNZULXUCNCKKH-KRWDZBQOSA-N 2 2 305.491 3.376 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540486 285355413 /nfs/dbraw/zinc/35/54/13/285355413.db2.gz LSNZULXUCNCKKH-KRWDZBQOSA-N 2 2 305.491 3.376 20 0 DGADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc[nH+]cc2C)c1 ZINC000121803748 195350057 /nfs/dbraw/zinc/35/00/57/195350057.db2.gz BTEJPHBRESPEST-UHFFFAOYSA-N 2 2 312.417 3.163 20 0 DGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc[nH+]cc2C)c1 ZINC000121803748 195350060 /nfs/dbraw/zinc/35/00/60/195350060.db2.gz BTEJPHBRESPEST-UHFFFAOYSA-N 2 2 312.417 3.163 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Br ZINC000428999474 533625429 /nfs/dbraw/zinc/62/54/29/533625429.db2.gz HLTPCXUVFDIWND-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000428999474 533625436 /nfs/dbraw/zinc/62/54/36/533625436.db2.gz HLTPCXUVFDIWND-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000428999474 533625442 /nfs/dbraw/zinc/62/54/42/533625442.db2.gz HLTPCXUVFDIWND-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000428999474 533625447 /nfs/dbraw/zinc/62/54/47/533625447.db2.gz HLTPCXUVFDIWND-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)sc1Br ZINC000415120918 533624426 /nfs/dbraw/zinc/62/44/26/533624426.db2.gz GPZNYVGYXWXRBL-KOLCDFICSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)sc1Br ZINC000415120918 533624434 /nfs/dbraw/zinc/62/44/34/533624434.db2.gz GPZNYVGYXWXRBL-KOLCDFICSA-N 2 2 317.296 3.236 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000323427728 533666789 /nfs/dbraw/zinc/66/67/89/533666789.db2.gz PXNDUGHFYZQEPV-SFHVURJKSA-N 2 2 311.429 3.017 20 0 DGADLP Cc1nc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000356892489 285545155 /nfs/dbraw/zinc/54/51/55/285545155.db2.gz HYSNNYFDQGGUEM-UHFFFAOYSA-N 2 2 321.412 3.000 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751075 400097691 /nfs/dbraw/zinc/09/76/91/400097691.db2.gz UENNFNDQIBBYMU-NLWGTHIKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751075 400097698 /nfs/dbraw/zinc/09/76/98/400097698.db2.gz UENNFNDQIBBYMU-NLWGTHIKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751075 400097702 /nfs/dbraw/zinc/09/77/02/400097702.db2.gz UENNFNDQIBBYMU-NLWGTHIKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751075 400097707 /nfs/dbraw/zinc/09/77/07/400097707.db2.gz UENNFNDQIBBYMU-NLWGTHIKSA-N 3 2 317.521 3.215 20 0 DGADLP C[C@]1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCOC1 ZINC000357845805 285892047 /nfs/dbraw/zinc/89/20/47/285892047.db2.gz BJWPRFBDPMBWIH-SFHVURJKSA-N 2 2 322.880 3.463 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C2CC2)cc1 ZINC000091375351 400115316 /nfs/dbraw/zinc/11/53/16/400115316.db2.gz LPAGONNWZBLYFO-APWZRJJASA-N 2 2 302.462 3.147 20 0 DGADLP COCCc1nc(C)c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000090847578 400079895 /nfs/dbraw/zinc/07/98/95/400079895.db2.gz ZLELJMPXAXOWHD-CYBMUJFWSA-N 2 2 319.474 3.237 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cc[nH+]cc1C)CCCO2 ZINC000090847405 400080104 /nfs/dbraw/zinc/08/01/04/400080104.db2.gz GNWKNVQWVOROHW-GOSISDBHSA-N 2 2 312.413 3.445 20 0 DGADLP CCOc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321698331 400171667 /nfs/dbraw/zinc/17/16/67/400171667.db2.gz SVFUAESTACIXOI-IAGOWNOFSA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321698331 400171670 /nfs/dbraw/zinc/17/16/70/400171670.db2.gz SVFUAESTACIXOI-IAGOWNOFSA-N 2 2 318.461 3.071 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)c1sccc1Br ZINC000309653092 400132078 /nfs/dbraw/zinc/13/20/78/400132078.db2.gz YJKBJZXLHYAJFS-MRVPVSSYSA-N 2 2 300.225 3.095 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071862 400151696 /nfs/dbraw/zinc/15/16/96/400151696.db2.gz DTHGNVYXHLKQQG-GFCCVEGCSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071862 400151702 /nfs/dbraw/zinc/15/17/02/400151702.db2.gz DTHGNVYXHLKQQG-GFCCVEGCSA-N 2 2 305.809 3.451 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000092195052 400158476 /nfs/dbraw/zinc/15/84/76/400158476.db2.gz ISAOZLFRRPUZDC-HNNXBMFYSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000092195052 400158485 /nfs/dbraw/zinc/15/84/85/400158485.db2.gz ISAOZLFRRPUZDC-HNNXBMFYSA-N 2 2 301.409 3.393 20 0 DGADLP CC(C)c1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000588778984 400228707 /nfs/dbraw/zinc/22/87/07/400228707.db2.gz OROGMBHCRLSNJN-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390550809 400272458 /nfs/dbraw/zinc/27/24/58/400272458.db2.gz CBJQANDUZSAQAK-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390550809 400272461 /nfs/dbraw/zinc/27/24/61/400272461.db2.gz CBJQANDUZSAQAK-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CCc1cc(NCC[N@@H+](C)[C@@H](C)CC)nc(-c2ccncc2)[nH+]1 ZINC000068699064 400280461 /nfs/dbraw/zinc/28/04/61/400280461.db2.gz PKLGQOHYKWBYTK-AWEZNQCLSA-N 2 2 313.449 3.243 20 0 DGADLP CCc1cc(NCC[N@H+](C)[C@@H](C)CC)nc(-c2ccncc2)[nH+]1 ZINC000068699064 400280467 /nfs/dbraw/zinc/28/04/67/400280467.db2.gz PKLGQOHYKWBYTK-AWEZNQCLSA-N 2 2 313.449 3.243 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2[nH]nc3ccccc32)c[nH+]1 ZINC000589644464 400316723 /nfs/dbraw/zinc/31/67/23/400316723.db2.gz QQJYZANVCCFSSR-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CO2 ZINC000093866004 400259636 /nfs/dbraw/zinc/25/96/36/400259636.db2.gz MDDJMSSXBJEAAE-SFHVURJKSA-N 2 2 308.381 3.011 20 0 DGADLP c1ccc2c(c1)C=C(C[N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CO2 ZINC000093866004 400259641 /nfs/dbraw/zinc/25/96/41/400259641.db2.gz MDDJMSSXBJEAAE-SFHVURJKSA-N 2 2 308.381 3.011 20 0 DGADLP CC(C)c1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865740 400259784 /nfs/dbraw/zinc/25/97/84/400259784.db2.gz BPTFVLLTXYRMJG-CQSZACIVSA-N 2 2 303.431 3.315 20 0 DGADLP CC(C)c1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865740 400259788 /nfs/dbraw/zinc/25/97/88/400259788.db2.gz BPTFVLLTXYRMJG-CQSZACIVSA-N 2 2 303.431 3.315 20 0 DGADLP CSCc1cnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000590349674 400380889 /nfs/dbraw/zinc/38/08/89/400380889.db2.gz ZISHSZPUGUAIKV-LBPRGKRZSA-N 2 2 308.476 3.040 20 0 DGADLP CSCc1cnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000590349674 400380897 /nfs/dbraw/zinc/38/08/97/400380897.db2.gz ZISHSZPUGUAIKV-LBPRGKRZSA-N 2 2 308.476 3.040 20 0 DGADLP CC[N@@H+](Cc1nc(C2CC2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999354 400346528 /nfs/dbraw/zinc/34/65/28/400346528.db2.gz BMJZXDGTEHWFDW-UHFFFAOYSA-N 2 2 314.433 3.031 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858429 400409079 /nfs/dbraw/zinc/40/90/79/400409079.db2.gz ULKBGIJGFMUOTH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858429 400409085 /nfs/dbraw/zinc/40/90/85/400409085.db2.gz ULKBGIJGFMUOTH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858429 400409088 /nfs/dbraw/zinc/40/90/88/400409088.db2.gz ULKBGIJGFMUOTH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858429 400409093 /nfs/dbraw/zinc/40/90/93/400409093.db2.gz ULKBGIJGFMUOTH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858430 400409222 /nfs/dbraw/zinc/40/92/22/400409222.db2.gz ULKBGIJGFMUOTH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858430 400409227 /nfs/dbraw/zinc/40/92/27/400409227.db2.gz ULKBGIJGFMUOTH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858430 400409232 /nfs/dbraw/zinc/40/92/32/400409232.db2.gz ULKBGIJGFMUOTH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000072858430 400409236 /nfs/dbraw/zinc/40/92/36/400409236.db2.gz ULKBGIJGFMUOTH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1([NH3+])CCCC1)CCC2 ZINC000596648542 400470462 /nfs/dbraw/zinc/47/04/62/400470462.db2.gz REMXEIVSHCYUCZ-CYBMUJFWSA-N 2 2 320.433 3.003 20 0 DGADLP Brc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083255 400483926 /nfs/dbraw/zinc/48/39/26/400483926.db2.gz STTRFYWMBNHFAB-CQSZACIVSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083255 400483928 /nfs/dbraw/zinc/48/39/28/400483928.db2.gz STTRFYWMBNHFAB-CQSZACIVSA-N 2 2 320.234 3.483 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915373 400578106 /nfs/dbraw/zinc/57/81/06/400578106.db2.gz FGWBXQWKBRDVQW-HOCLYGCPSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915373 400578115 /nfs/dbraw/zinc/57/81/15/400578115.db2.gz FGWBXQWKBRDVQW-HOCLYGCPSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708506 400551595 /nfs/dbraw/zinc/55/15/95/400551595.db2.gz BLFPNWOAIBDWBB-NVXWUHKLSA-N 2 2 320.440 3.488 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708506 400551602 /nfs/dbraw/zinc/55/16/02/400551602.db2.gz BLFPNWOAIBDWBB-NVXWUHKLSA-N 2 2 320.440 3.488 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834982 400613739 /nfs/dbraw/zinc/61/37/39/400613739.db2.gz WXKQSNLKYFUNOC-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834982 400613741 /nfs/dbraw/zinc/61/37/41/400613741.db2.gz WXKQSNLKYFUNOC-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP C[NH+](C)[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1 ZINC000134821145 400582514 /nfs/dbraw/zinc/58/25/14/400582514.db2.gz RVTZABIIMVFMHY-QGZVFWFLSA-N 2 2 320.396 3.318 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000076668265 400666519 /nfs/dbraw/zinc/66/65/19/400666519.db2.gz SNIAJRLNFWWENN-MRXNPFEDSA-N 2 2 300.450 3.139 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337984663 292169468 /nfs/dbraw/zinc/16/94/68/292169468.db2.gz BUZPGVLYTBTUIE-RDJZCZTQSA-N 2 2 314.489 3.384 20 0 DGADLP C[C@@H]1C[N@@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@H](C)O1 ZINC000080767698 400989036 /nfs/dbraw/zinc/98/90/36/400989036.db2.gz LGQVEIMSUOHCFX-TXEJJXNPSA-N 2 2 317.355 3.012 20 0 DGADLP C[C@@H]1C[N@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@H](C)O1 ZINC000080767698 400989037 /nfs/dbraw/zinc/98/90/37/400989037.db2.gz LGQVEIMSUOHCFX-TXEJJXNPSA-N 2 2 317.355 3.012 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288016 401012294 /nfs/dbraw/zinc/01/22/94/401012294.db2.gz OCDRBSOUTUHGBD-CVEARBPZSA-N 2 2 321.465 3.276 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288016 401012297 /nfs/dbraw/zinc/01/22/97/401012297.db2.gz OCDRBSOUTUHGBD-CVEARBPZSA-N 2 2 321.465 3.276 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000599307756 401017271 /nfs/dbraw/zinc/01/72/71/401017271.db2.gz YJPPYHQFDJSWPX-INIZCTEOSA-N 2 2 321.465 3.276 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000629541189 400966732 /nfs/dbraw/zinc/96/67/32/400966732.db2.gz WWXVINFGMDCAGR-DGCLKSJQSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000629541189 400966738 /nfs/dbraw/zinc/96/67/38/400966738.db2.gz WWXVINFGMDCAGR-DGCLKSJQSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563507 400978192 /nfs/dbraw/zinc/97/81/92/400978192.db2.gz RDQYXQWEUXJZKG-GBIKHYSHSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563507 400978197 /nfs/dbraw/zinc/97/81/97/400978197.db2.gz RDQYXQWEUXJZKG-GBIKHYSHSA-N 2 2 322.321 3.485 20 0 DGADLP c1cc([C@H]2C[NH2+]CCO2)ccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000629709919 401053939 /nfs/dbraw/zinc/05/39/39/401053939.db2.gz MOLSADZMXUYAKZ-GOSISDBHSA-N 2 2 309.413 3.010 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[NH+](CCC(C)(C)C)CC3)cn2c1 ZINC000615459694 401085751 /nfs/dbraw/zinc/08/57/51/401085751.db2.gz TVFZCGUPJCACON-UHFFFAOYSA-N 2 2 314.477 3.197 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656969 401022674 /nfs/dbraw/zinc/02/26/74/401022674.db2.gz SFPUOVWNLLWFBG-UONOGXRCSA-N 2 2 316.367 3.044 20 0 DGADLP CCOc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656969 401022679 /nfs/dbraw/zinc/02/26/79/401022679.db2.gz SFPUOVWNLLWFBG-UONOGXRCSA-N 2 2 316.367 3.044 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2noc(C3CCC3)n2)CC1 ZINC000625090441 401028438 /nfs/dbraw/zinc/02/84/38/401028438.db2.gz VMDJDMUWPWAUJL-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2noc(C3CCC3)n2)CC1 ZINC000625090441 401028441 /nfs/dbraw/zinc/02/84/41/401028441.db2.gz VMDJDMUWPWAUJL-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP C[C@H]1C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000251933178 401093347 /nfs/dbraw/zinc/09/33/47/401093347.db2.gz YXHVTBZDCIOEMY-SMDDNHRTSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000251933178 401093355 /nfs/dbraw/zinc/09/33/55/401093355.db2.gz YXHVTBZDCIOEMY-SMDDNHRTSA-N 2 2 305.809 3.164 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625544242 401153537 /nfs/dbraw/zinc/15/35/37/401153537.db2.gz KEBZHMHFBIKBLP-UHFFFAOYSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239353 286008031 /nfs/dbraw/zinc/00/80/31/286008031.db2.gz ORIHMGBVOXEVFO-IIAWOOMASA-N 2 2 305.466 3.077 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239353 286008032 /nfs/dbraw/zinc/00/80/32/286008032.db2.gz ORIHMGBVOXEVFO-IIAWOOMASA-N 2 2 305.466 3.077 20 0 DGADLP CCOc1cncc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000621337272 401172649 /nfs/dbraw/zinc/17/26/49/401172649.db2.gz SEIKKKOCYMKDAK-UHFFFAOYSA-N 2 2 324.428 3.089 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000358305529 286026581 /nfs/dbraw/zinc/02/65/81/286026581.db2.gz VFNSTRNJUJHIJD-ATZDWAIDSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000358305529 286026583 /nfs/dbraw/zinc/02/65/83/286026583.db2.gz VFNSTRNJUJHIJD-ATZDWAIDSA-N 2 2 324.472 3.430 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](C)CC3)c2cc1C ZINC000063302161 401188495 /nfs/dbraw/zinc/18/84/95/401188495.db2.gz WIZDIUZIJGWQEB-PBHICJAKSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](C)CC3)c2cc1C ZINC000063302161 401188497 /nfs/dbraw/zinc/18/84/97/401188497.db2.gz WIZDIUZIJGWQEB-PBHICJAKSA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1CCOC1 ZINC000358342682 286036838 /nfs/dbraw/zinc/03/68/38/286036838.db2.gz QKJUJAZTLAGOAK-AYBZRNKSSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090588516 401269382 /nfs/dbraw/zinc/26/93/82/401269382.db2.gz UWKLQHUJCXXTTH-HOCLYGCPSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090588518 401269415 /nfs/dbraw/zinc/26/94/15/401269415.db2.gz UWKLQHUJCXXTTH-GOEBONIOSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000090046886 401249427 /nfs/dbraw/zinc/24/94/27/401249427.db2.gz QUEPWNNQCBUHFY-GUYCJALGSA-N 2 2 308.853 3.028 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090047863 401251121 /nfs/dbraw/zinc/25/11/21/401251121.db2.gz MGYZRBNTODNYMA-RYRKJORJSA-N 2 2 302.462 3.244 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090177282 401261470 /nfs/dbraw/zinc/26/14/70/401261470.db2.gz HPIGKXFKOGNAOH-NWDGAFQWSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090177282 401261475 /nfs/dbraw/zinc/26/14/75/401261475.db2.gz HPIGKXFKOGNAOH-NWDGAFQWSA-N 2 2 314.351 3.144 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000634678159 401330807 /nfs/dbraw/zinc/33/08/07/401330807.db2.gz KTQUWZQWLYDPRY-OALUTQOASA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000634678159 401330811 /nfs/dbraw/zinc/33/08/11/401330811.db2.gz KTQUWZQWLYDPRY-OALUTQOASA-N 2 2 316.489 3.371 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000634679378 401331593 /nfs/dbraw/zinc/33/15/93/401331593.db2.gz SMVYAFJIINDIAN-SFHVURJKSA-N 2 2 316.489 3.371 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCOC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000634679378 401331595 /nfs/dbraw/zinc/33/15/95/401331595.db2.gz SMVYAFJIINDIAN-SFHVURJKSA-N 2 2 316.489 3.371 20 0 DGADLP CC(C)n1c[nH+]cc1CNc1[nH]c2cc(Cl)c(F)cc2[nH+]1 ZINC000622003097 401334226 /nfs/dbraw/zinc/33/42/26/401334226.db2.gz KXTZAYLMCQKSLR-UHFFFAOYSA-N 2 2 307.760 3.167 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003533 401334935 /nfs/dbraw/zinc/33/49/35/401334935.db2.gz AZBPPBLXAQWLOP-XLIONFOSSA-N 2 2 323.440 3.496 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003533 401334938 /nfs/dbraw/zinc/33/49/38/401334938.db2.gz AZBPPBLXAQWLOP-XLIONFOSSA-N 2 2 323.440 3.496 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004943 401335011 /nfs/dbraw/zinc/33/50/11/401335011.db2.gz WNGVREKPOHLOTN-IEBWSBKVSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004943 401335014 /nfs/dbraw/zinc/33/50/14/401335014.db2.gz WNGVREKPOHLOTN-IEBWSBKVSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004911 401335440 /nfs/dbraw/zinc/33/54/40/401335440.db2.gz WGZITHCWBRZXDG-YOEHRIQHSA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004911 401335441 /nfs/dbraw/zinc/33/54/41/401335441.db2.gz WGZITHCWBRZXDG-YOEHRIQHSA-N 2 2 316.836 3.043 20 0 DGADLP CCCc1noc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626061373 401291228 /nfs/dbraw/zinc/29/12/28/401291228.db2.gz INRZYIKQZKTNNZ-UHFFFAOYSA-N 2 2 316.449 3.106 20 0 DGADLP CCCc1noc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626061373 401291231 /nfs/dbraw/zinc/29/12/31/401291231.db2.gz INRZYIKQZKTNNZ-UHFFFAOYSA-N 2 2 316.449 3.106 20 0 DGADLP FC1(F)CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000358387872 286048345 /nfs/dbraw/zinc/04/83/45/286048345.db2.gz VFNNZIIUSKSLGK-UHFFFAOYSA-N 2 2 309.404 3.214 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102207 401300455 /nfs/dbraw/zinc/30/04/55/401300455.db2.gz YEQWYVDSYTWRCH-GJZGRUSLSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102207 401300459 /nfs/dbraw/zinc/30/04/59/401300459.db2.gz YEQWYVDSYTWRCH-GJZGRUSLSA-N 2 2 317.260 3.101 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000631029401 401373244 /nfs/dbraw/zinc/37/32/44/401373244.db2.gz BWEPMBMQORZBDD-UHFFFAOYSA-N 2 2 314.857 3.035 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634952682 401387396 /nfs/dbraw/zinc/38/73/96/401387396.db2.gz GFUJLUUAXDTVRF-HZPDHXFCSA-N 2 2 313.445 3.442 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)c(Br)c2)n1C ZINC000634990647 401396664 /nfs/dbraw/zinc/39/66/64/401396664.db2.gz WBEGVERKSCKBCH-UHFFFAOYSA-N 2 2 308.223 3.089 20 0 DGADLP [NH3+]C1CCC([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000635020899 401404953 /nfs/dbraw/zinc/40/49/53/401404953.db2.gz NMXGDGOGGMSJDX-MHJFOBGBSA-N 3 2 315.505 3.291 20 0 DGADLP [NH3+]C1CCC([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000635020899 401404954 /nfs/dbraw/zinc/40/49/54/401404954.db2.gz NMXGDGOGGMSJDX-MHJFOBGBSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635712588 401475685 /nfs/dbraw/zinc/47/56/85/401475685.db2.gz SSYGYBMZAINGDF-HZPDHXFCSA-N 2 2 324.428 3.056 20 0 DGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635712588 401475688 /nfs/dbraw/zinc/47/56/88/401475688.db2.gz SSYGYBMZAINGDF-HZPDHXFCSA-N 2 2 324.428 3.056 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195063 401423029 /nfs/dbraw/zinc/42/30/29/401423029.db2.gz AZOGGQIXQYVQAI-RDJZCZTQSA-N 2 2 313.445 3.095 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195063 401423031 /nfs/dbraw/zinc/42/30/31/401423031.db2.gz AZOGGQIXQYVQAI-RDJZCZTQSA-N 2 2 313.445 3.095 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631195081 401423132 /nfs/dbraw/zinc/42/31/32/401423132.db2.gz BBGCIMBPCXIRDW-WMLDXEAASA-N 2 2 315.486 3.309 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631195081 401423133 /nfs/dbraw/zinc/42/31/33/401423133.db2.gz BBGCIMBPCXIRDW-WMLDXEAASA-N 2 2 315.486 3.309 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccs1 ZINC000631195986 401423699 /nfs/dbraw/zinc/42/36/99/401423699.db2.gz MBBJOOMEFACHQY-GDBMZVCRSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccs1 ZINC000631195986 401423700 /nfs/dbraw/zinc/42/37/00/401423700.db2.gz MBBJOOMEFACHQY-GDBMZVCRSA-N 2 2 301.459 3.001 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)c2C1 ZINC000635718182 401476904 /nfs/dbraw/zinc/47/69/04/401476904.db2.gz YMOUTDCGMFNNCP-HUUCEWRRSA-N 2 2 324.428 3.124 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)c2C1 ZINC000635718182 401476908 /nfs/dbraw/zinc/47/69/08/401476908.db2.gz YMOUTDCGMFNNCP-HUUCEWRRSA-N 2 2 324.428 3.124 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)c2C1 ZINC000635718182 401476912 /nfs/dbraw/zinc/47/69/12/401476912.db2.gz YMOUTDCGMFNNCP-HUUCEWRRSA-N 2 2 324.428 3.124 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)c2C1 ZINC000635718182 401476915 /nfs/dbraw/zinc/47/69/15/401476915.db2.gz YMOUTDCGMFNNCP-HUUCEWRRSA-N 2 2 324.428 3.124 20 0 DGADLP CC(C)C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)n1cc[nH+]c1 ZINC000635458568 401445039 /nfs/dbraw/zinc/44/50/39/401445039.db2.gz GGBQWDNKKHUUFO-INIZCTEOSA-N 2 2 323.400 3.499 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635458856 401445314 /nfs/dbraw/zinc/44/53/14/401445314.db2.gz JCHRRVHQTKAVRI-INIZCTEOSA-N 2 2 310.401 3.032 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635458856 401445315 /nfs/dbraw/zinc/44/53/15/401445315.db2.gz JCHRRVHQTKAVRI-INIZCTEOSA-N 2 2 310.401 3.032 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000623089398 401463696 /nfs/dbraw/zinc/46/36/96/401463696.db2.gz GCFAXZYPQMYTKN-UHFFFAOYSA-N 2 2 315.433 3.087 20 0 DGADLP c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000631570973 401501281 /nfs/dbraw/zinc/50/12/81/401501281.db2.gz ZNZXPBOBULIDNC-FQEVSTJZSA-N 2 2 322.456 3.108 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC)c1OC ZINC000631570538 401501522 /nfs/dbraw/zinc/50/15/22/401501522.db2.gz RHKUNVZXHSKSKB-YESZJQIVSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(OC)c1OC ZINC000631570538 401501524 /nfs/dbraw/zinc/50/15/24/401501524.db2.gz RHKUNVZXHSKSKB-YESZJQIVSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588140 401507367 /nfs/dbraw/zinc/50/73/67/401507367.db2.gz ZKWBIEDOBHBATL-VBQJREDUSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588140 401507369 /nfs/dbraw/zinc/50/73/69/401507369.db2.gz ZKWBIEDOBHBATL-VBQJREDUSA-N 2 2 318.461 3.370 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)CC1(C)C ZINC000623520915 401538746 /nfs/dbraw/zinc/53/87/46/401538746.db2.gz AKDCBVVOPQQMFE-OAHLLOKOSA-N 2 2 319.468 3.388 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)CC1(C)C ZINC000623520915 401538748 /nfs/dbraw/zinc/53/87/48/401538748.db2.gz AKDCBVVOPQQMFE-OAHLLOKOSA-N 2 2 319.468 3.388 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc(C4CC4)o3)C2)CC1 ZINC000628156397 401537292 /nfs/dbraw/zinc/53/72/92/401537292.db2.gz NFEWKOCYIVTFOW-MRXNPFEDSA-N 2 2 317.477 3.496 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc(C4CC4)o3)C2)CC1 ZINC000628156397 401537295 /nfs/dbraw/zinc/53/72/95/401537295.db2.gz NFEWKOCYIVTFOW-MRXNPFEDSA-N 2 2 317.477 3.496 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868185 401562322 /nfs/dbraw/zinc/56/23/22/401562322.db2.gz ZSQZERZNEYZUMZ-DYVFJYSZSA-N 2 2 301.821 3.120 20 0 DGADLP Cc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628264547 401563670 /nfs/dbraw/zinc/56/36/70/401563670.db2.gz RYGYPQIHFHLQEW-RBUKOAKNSA-N 2 2 316.489 3.143 20 0 DGADLP Cc1ccc([C@@H](C)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628264547 401563674 /nfs/dbraw/zinc/56/36/74/401563674.db2.gz RYGYPQIHFHLQEW-RBUKOAKNSA-N 2 2 316.489 3.143 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)[nH+]1 ZINC000628323906 401576478 /nfs/dbraw/zinc/57/64/78/401576478.db2.gz TVTDNUHIVYFALJ-YESZJQIVSA-N 2 2 312.461 3.201 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)[nH+]1 ZINC000628323906 401576479 /nfs/dbraw/zinc/57/64/79/401576479.db2.gz TVTDNUHIVYFALJ-YESZJQIVSA-N 2 2 312.461 3.201 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623923095 401599924 /nfs/dbraw/zinc/59/99/24/401599924.db2.gz SMSCALPBQURGMA-GJZGRUSLSA-N 2 2 307.507 3.478 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623923095 401599927 /nfs/dbraw/zinc/59/99/27/401599927.db2.gz SMSCALPBQURGMA-GJZGRUSLSA-N 2 2 307.507 3.478 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623864808 401590021 /nfs/dbraw/zinc/59/00/21/401590021.db2.gz ZPHCZXYDXYZBMS-ZNMIVQPWSA-N 2 2 307.507 3.478 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623864808 401590023 /nfs/dbraw/zinc/59/00/23/401590023.db2.gz ZPHCZXYDXYZBMS-ZNMIVQPWSA-N 2 2 307.507 3.478 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCc3scnc32)c[nH+]1 ZINC000623872560 401591358 /nfs/dbraw/zinc/59/13/58/401591358.db2.gz IGEYGJSPNHASCD-AWEZNQCLSA-N 2 2 310.426 3.496 20 0 DGADLP Cc1c[nH]c(CN2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)[nH+]1 ZINC000628422296 401594247 /nfs/dbraw/zinc/59/42/47/401594247.db2.gz WCYOWSMQXCUUGC-SFHVURJKSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1c[nH]c(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)[nH+]1 ZINC000628422296 401594251 /nfs/dbraw/zinc/59/42/51/401594251.db2.gz WCYOWSMQXCUUGC-SFHVURJKSA-N 2 2 312.461 3.061 20 0 DGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623561501 401547264 /nfs/dbraw/zinc/54/72/64/401547264.db2.gz PBKUMSDZDRBKBR-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623561501 401547266 /nfs/dbraw/zinc/54/72/66/401547266.db2.gz PBKUMSDZDRBKBR-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP CCC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000628199061 401548276 /nfs/dbraw/zinc/54/82/76/401548276.db2.gz ZUNRIFWYXHWDDB-SFHVURJKSA-N 2 2 312.461 3.205 20 0 DGADLP CCC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000628199061 401548279 /nfs/dbraw/zinc/54/82/79/401548279.db2.gz ZUNRIFWYXHWDDB-SFHVURJKSA-N 2 2 312.461 3.205 20 0 DGADLP COc1cccc(-c2nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)co2)c1 ZINC000631822275 401558893 /nfs/dbraw/zinc/55/88/93/401558893.db2.gz YNFUDQNNLHVNRK-KRWDZBQOSA-N 2 2 317.433 3.155 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)co2)c1 ZINC000631822275 401558896 /nfs/dbraw/zinc/55/88/96/401558896.db2.gz YNFUDQNNLHVNRK-KRWDZBQOSA-N 2 2 317.433 3.155 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267434 401645305 /nfs/dbraw/zinc/64/53/05/401645305.db2.gz MYOTZVYWNSGCRM-MGPUTAFESA-N 2 2 307.441 3.321 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267434 401645307 /nfs/dbraw/zinc/64/53/07/401645307.db2.gz MYOTZVYWNSGCRM-MGPUTAFESA-N 2 2 307.441 3.321 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H]1C ZINC000358564877 286094919 /nfs/dbraw/zinc/09/49/19/286094919.db2.gz XUAWAUDQTVOVEP-GJYPPUQNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000358722714 286133243 /nfs/dbraw/zinc/13/32/43/286133243.db2.gz ZEEDKPZXUPMGBV-SFHVURJKSA-N 2 2 322.880 3.055 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358817403 286160929 /nfs/dbraw/zinc/16/09/29/286160929.db2.gz BZCJASZVHMEZDD-ICSRJNTNSA-N 3 2 317.521 3.361 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358817403 286160932 /nfs/dbraw/zinc/16/09/32/286160932.db2.gz BZCJASZVHMEZDD-ICSRJNTNSA-N 3 2 317.521 3.361 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000358836877 286165326 /nfs/dbraw/zinc/16/53/26/286165326.db2.gz WKIRMQYPCJMJJF-KSSFIOAISA-N 2 2 305.441 3.353 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000359014645 286215526 /nfs/dbraw/zinc/21/55/26/286215526.db2.gz BMKBALJNCYNTEQ-POAQFYNOSA-N 2 2 316.489 3.097 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000359014645 286215527 /nfs/dbraw/zinc/21/55/27/286215527.db2.gz BMKBALJNCYNTEQ-POAQFYNOSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000359102344 286237384 /nfs/dbraw/zinc/23/73/84/286237384.db2.gz FUQSDJMOWSTAFR-QUCCMNQESA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000359102344 286237385 /nfs/dbraw/zinc/23/73/85/286237385.db2.gz FUQSDJMOWSTAFR-QUCCMNQESA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102344 286237386 /nfs/dbraw/zinc/23/73/86/286237386.db2.gz FUQSDJMOWSTAFR-QUCCMNQESA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102344 286237387 /nfs/dbraw/zinc/23/73/87/286237387.db2.gz FUQSDJMOWSTAFR-QUCCMNQESA-N 3 2 317.521 3.359 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325897 286284525 /nfs/dbraw/zinc/28/45/25/286284525.db2.gz UHDRIHOODYDABM-SGMGOOAPSA-N 2 2 320.868 3.360 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325897 286284527 /nfs/dbraw/zinc/28/45/27/286284527.db2.gz UHDRIHOODYDABM-SGMGOOAPSA-N 2 2 320.868 3.360 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCSc3ccccc3)CC2)c1 ZINC000359448885 286310947 /nfs/dbraw/zinc/31/09/47/286310947.db2.gz FUIVRGYPCLQVFU-UHFFFAOYSA-N 2 2 313.470 3.304 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)CCC2 ZINC000359626607 286349978 /nfs/dbraw/zinc/34/99/78/286349978.db2.gz AGIXYJPAXXKOFT-QWHCGFSZSA-N 2 2 304.825 3.468 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cn1)CCC2 ZINC000359626608 286350044 /nfs/dbraw/zinc/35/00/44/286350044.db2.gz AGIXYJPAXXKOFT-STQMWFEESA-N 2 2 304.825 3.468 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000359656869 286355006 /nfs/dbraw/zinc/35/50/06/286355006.db2.gz ITILWRSWZAZIOR-HNNXBMFYSA-N 2 2 317.477 3.211 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)CCCOC)[N@@H+]1CCc2ccccc2C1 ZINC000359660998 286356061 /nfs/dbraw/zinc/35/60/61/286356061.db2.gz DYDITIHDPBMXQG-LPHOPBHVSA-N 2 2 304.478 3.228 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)CCCOC)[N@H+]1CCc2ccccc2C1 ZINC000359660998 286356064 /nfs/dbraw/zinc/35/60/64/286356064.db2.gz DYDITIHDPBMXQG-LPHOPBHVSA-N 2 2 304.478 3.228 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000423322279 286362853 /nfs/dbraw/zinc/36/28/53/286362853.db2.gz GKCQPHYBCKVBKN-OKZBNKHCSA-N 2 2 300.446 3.063 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000359709953 286365784 /nfs/dbraw/zinc/36/57/84/286365784.db2.gz HGLQRYAXJGQXIX-KBPBESRZSA-N 2 2 310.404 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000359709953 286365785 /nfs/dbraw/zinc/36/57/85/286365785.db2.gz HGLQRYAXJGQXIX-KBPBESRZSA-N 2 2 310.404 3.054 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000359709956 286365836 /nfs/dbraw/zinc/36/58/36/286365836.db2.gz HGLQRYAXJGQXIX-UONOGXRCSA-N 2 2 310.404 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000359709956 286365837 /nfs/dbraw/zinc/36/58/37/286365837.db2.gz HGLQRYAXJGQXIX-UONOGXRCSA-N 2 2 310.404 3.054 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713816 286366492 /nfs/dbraw/zinc/36/64/92/286366492.db2.gz BYOSKNUPFOCJRN-IFXJQAMLSA-N 2 2 300.446 3.048 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713816 286366494 /nfs/dbraw/zinc/36/64/94/286366494.db2.gz BYOSKNUPFOCJRN-IFXJQAMLSA-N 2 2 300.446 3.048 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](Cc2ccccn2)c2ccccc2)[C@@H](C)C1 ZINC000359969318 286399169 /nfs/dbraw/zinc/39/91/69/286399169.db2.gz HAZQNZQUYFMJRD-VDGAXYAQSA-N 2 2 309.457 3.295 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](Cc2ccccn2)c2ccccc2)[C@@H](C)C1 ZINC000359969318 286399173 /nfs/dbraw/zinc/39/91/73/286399173.db2.gz HAZQNZQUYFMJRD-VDGAXYAQSA-N 2 2 309.457 3.295 20 0 DGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCC3)oc2cc1C ZINC000360244024 286449131 /nfs/dbraw/zinc/44/91/31/286449131.db2.gz YQOMAIWKCMWYIT-NVXWUHKLSA-N 2 2 316.445 3.157 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000361009123 286575811 /nfs/dbraw/zinc/57/58/11/286575811.db2.gz OUNCQIIACMUGRK-HUUCEWRRSA-N 2 2 324.852 3.089 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000361085661 286593704 /nfs/dbraw/zinc/59/37/04/286593704.db2.gz FEFOOKYFEPHRSL-HNNXBMFYSA-N 2 2 302.422 3.433 20 0 DGADLP CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000361112998 286599370 /nfs/dbraw/zinc/59/93/70/286599370.db2.gz KCTPEXFFCDARKS-DLBZAZTESA-N 2 2 320.477 3.475 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000361458643 286675683 /nfs/dbraw/zinc/67/56/83/286675683.db2.gz HXZPFLLUXORXOC-OAHLLOKOSA-N 2 2 322.415 3.342 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000134121396 287032511 /nfs/dbraw/zinc/03/25/11/287032511.db2.gz YPWADZTZVIKSCK-APWZRJJASA-N 2 2 302.462 3.228 20 0 DGADLP c1ccc(CC2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000186578336 165049993 /nfs/dbraw/zinc/04/99/93/165049993.db2.gz FKAMBNIOBGFKRH-UHFFFAOYSA-N 2 2 321.468 3.411 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187013620 165073118 /nfs/dbraw/zinc/07/31/18/165073118.db2.gz CNEAXIUEQADYPV-AWEZNQCLSA-N 2 2 322.503 3.218 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187013620 165073120 /nfs/dbraw/zinc/07/31/20/165073120.db2.gz CNEAXIUEQADYPV-AWEZNQCLSA-N 2 2 322.503 3.218 20 0 DGADLP CCOC1CC(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000189244192 165153968 /nfs/dbraw/zinc/15/39/68/165153968.db2.gz VNBZLGQMOIDGJW-UHFFFAOYSA-N 2 2 322.415 3.198 20 0 DGADLP Cc1cncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000189908673 165182954 /nfs/dbraw/zinc/18/29/54/165182954.db2.gz LPQSOEZRTXAQQC-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000189908673 165182956 /nfs/dbraw/zinc/18/29/56/165182956.db2.gz LPQSOEZRTXAQQC-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000189908673 165182959 /nfs/dbraw/zinc/18/29/59/165182959.db2.gz LPQSOEZRTXAQQC-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000189908673 165182963 /nfs/dbraw/zinc/18/29/63/165182963.db2.gz LPQSOEZRTXAQQC-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCCC1 ZINC000192647930 165300946 /nfs/dbraw/zinc/30/09/46/165300946.db2.gz KEZQNAYPBUFDIA-IPQPSQTFSA-N 3 2 307.526 3.102 20 0 DGADLP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCCC1 ZINC000192647930 165300948 /nfs/dbraw/zinc/30/09/48/165300948.db2.gz KEZQNAYPBUFDIA-IPQPSQTFSA-N 3 2 307.526 3.102 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192931851 165310155 /nfs/dbraw/zinc/31/01/55/165310155.db2.gz BXZDDNYRFYXORH-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192931851 165310158 /nfs/dbraw/zinc/31/01/58/165310158.db2.gz BXZDDNYRFYXORH-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP CC[C@@H](C)[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000193560024 165328120 /nfs/dbraw/zinc/32/81/20/165328120.db2.gz WWWNHSUXSKEKQC-KCXAZCMYSA-N 2 2 303.450 3.038 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000216064470 165376361 /nfs/dbraw/zinc/37/63/61/165376361.db2.gz PTIFTTKALLENFL-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Br ZINC000216064470 165376364 /nfs/dbraw/zinc/37/63/64/165376364.db2.gz PTIFTTKALLENFL-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Br)cc1F ZINC000221787557 165379676 /nfs/dbraw/zinc/37/96/76/165379676.db2.gz FAGFUJZKTFVHOL-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cc1F ZINC000221787557 165379677 /nfs/dbraw/zinc/37/96/77/165379677.db2.gz FAGFUJZKTFVHOL-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)cs1 ZINC000230729674 165399099 /nfs/dbraw/zinc/39/90/99/165399099.db2.gz ZHIXWBCTKXJJGV-UHFFFAOYSA-N 2 2 305.285 3.284 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)cs1 ZINC000230729674 165399101 /nfs/dbraw/zinc/39/91/01/165399101.db2.gz ZHIXWBCTKXJJGV-UHFFFAOYSA-N 2 2 305.285 3.284 20 0 DGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(Br)o2)CC1 ZINC000365264642 287115711 /nfs/dbraw/zinc/11/57/11/287115711.db2.gz VZPIWYOWRXIQOU-UHFFFAOYSA-N 2 2 313.239 3.102 20 0 DGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(Br)o2)CC1 ZINC000365264642 287115713 /nfs/dbraw/zinc/11/57/13/287115713.db2.gz VZPIWYOWRXIQOU-UHFFFAOYSA-N 2 2 313.239 3.102 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000365505212 287139526 /nfs/dbraw/zinc/13/95/26/287139526.db2.gz OPQQMVUPTAOVBP-FGTMMUONSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000365505212 287139527 /nfs/dbraw/zinc/13/95/27/287139527.db2.gz OPQQMVUPTAOVBP-FGTMMUONSA-N 2 2 313.489 3.118 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261594337 165720358 /nfs/dbraw/zinc/72/03/58/165720358.db2.gz NMCRSAOEAXPXND-IJEWVQPXSA-N 2 2 323.278 3.442 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261594337 165720361 /nfs/dbraw/zinc/72/03/61/165720361.db2.gz NMCRSAOEAXPXND-IJEWVQPXSA-N 2 2 323.278 3.442 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262181436 165791680 /nfs/dbraw/zinc/79/16/80/165791680.db2.gz ITCSWSMZOWAXDQ-MRXNPFEDSA-N 2 2 318.852 3.264 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC000344676247 165905436 /nfs/dbraw/zinc/90/54/36/165905436.db2.gz KQMURSHPNOZGOF-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC000344676247 165905439 /nfs/dbraw/zinc/90/54/39/165905439.db2.gz KQMURSHPNOZGOF-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCSC1 ZINC000365951971 287191491 /nfs/dbraw/zinc/19/14/91/287191491.db2.gz AOOQZJSXWJKVSU-OAHLLOKOSA-N 2 2 314.564 3.081 20 0 DGADLP COC1CC[NH+](CCNc2cc(C)[nH+]c3c(F)cccc23)CC1 ZINC000129083426 196018238 /nfs/dbraw/zinc/01/82/38/196018238.db2.gz FCNXGWCNHYFLJY-UHFFFAOYSA-N 2 2 317.408 3.205 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000137200237 432174140 /nfs/dbraw/zinc/17/41/40/432174140.db2.gz BINHTTLDWBSTFI-NSHDSACASA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000137200237 432174143 /nfs/dbraw/zinc/17/41/43/432174143.db2.gz BINHTTLDWBSTFI-NSHDSACASA-N 2 2 317.658 3.273 20 0 DGADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cs1 ZINC000269451844 432174545 /nfs/dbraw/zinc/17/45/45/432174545.db2.gz WCVJNMHIXWPZMJ-NSHDSACASA-N 2 2 313.430 3.191 20 0 DGADLP FC(F)(F)c1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000269774656 432208344 /nfs/dbraw/zinc/20/83/44/432208344.db2.gz MPPPHQOUFOPWTH-UHFFFAOYSA-N 2 2 316.352 3.265 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000191055187 432216031 /nfs/dbraw/zinc/21/60/31/432216031.db2.gz ALNFAFHMVUIRCB-YQVWRLOYSA-N 2 2 306.494 3.164 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191055187 432216035 /nfs/dbraw/zinc/21/60/35/432216035.db2.gz ALNFAFHMVUIRCB-YQVWRLOYSA-N 2 2 306.494 3.164 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000151082499 432218236 /nfs/dbraw/zinc/21/82/36/432218236.db2.gz YJHANHGPYKVNCG-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692246 432218611 /nfs/dbraw/zinc/21/86/11/432218611.db2.gz ASKMXHGOROODBB-GJZGRUSLSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692246 432218614 /nfs/dbraw/zinc/21/86/14/432218614.db2.gz ASKMXHGOROODBB-GJZGRUSLSA-N 2 2 318.490 3.044 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1SC ZINC000151145751 432223261 /nfs/dbraw/zinc/22/32/61/432223261.db2.gz SKLZCTHKWGQGMR-ZDUSSCGKSA-N 2 2 305.447 3.355 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000131736808 196195358 /nfs/dbraw/zinc/19/53/58/196195358.db2.gz HMOVSAVVHFJLIB-UONOGXRCSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000131736808 196195360 /nfs/dbraw/zinc/19/53/60/196195360.db2.gz HMOVSAVVHFJLIB-UONOGXRCSA-N 2 2 301.459 3.288 20 0 DGADLP CC(C)C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000131870550 196205424 /nfs/dbraw/zinc/20/54/24/196205424.db2.gz VZCXUZOVEOSROW-LJQANCHMSA-N 2 2 303.494 3.221 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1OC ZINC000132016413 196219147 /nfs/dbraw/zinc/21/91/47/196219147.db2.gz GVPRCHGXAGDEGT-MRXNPFEDSA-N 2 2 320.477 3.100 20 0 DGADLP C[C@H]([NH2+]CCN1CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132017743 196219937 /nfs/dbraw/zinc/21/99/37/196219937.db2.gz ZPKYJWXDNWRETQ-KRWDZBQOSA-N 2 2 312.461 3.399 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878509 287269022 /nfs/dbraw/zinc/26/90/22/287269022.db2.gz LSXFEEGBLVKECW-WBVHZDCISA-N 2 2 319.497 3.280 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878509 287269025 /nfs/dbraw/zinc/26/90/25/287269025.db2.gz LSXFEEGBLVKECW-WBVHZDCISA-N 2 2 319.497 3.280 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000132791185 196283768 /nfs/dbraw/zinc/28/37/68/196283768.db2.gz QVJWLBGVAFGZPC-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000132791185 196283770 /nfs/dbraw/zinc/28/37/70/196283770.db2.gz QVJWLBGVAFGZPC-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000132798470 196285361 /nfs/dbraw/zinc/28/53/61/196285361.db2.gz MOCGMJWHUMRLMB-UONOGXRCSA-N 2 2 324.415 3.116 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000133900786 196344702 /nfs/dbraw/zinc/34/47/02/196344702.db2.gz BQGVUIYQXVSQHG-RTBURBONSA-N 2 2 322.456 3.276 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000133900786 196344706 /nfs/dbraw/zinc/34/47/06/196344706.db2.gz BQGVUIYQXVSQHG-RTBURBONSA-N 2 2 322.456 3.276 20 0 DGADLP C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1n1cc[nH+]c1 ZINC000134134029 196364746 /nfs/dbraw/zinc/36/47/46/196364746.db2.gz NKAWCCXDACBXCD-AAEUAGOBSA-N 2 2 310.323 3.384 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000295686294 225123809 /nfs/dbraw/zinc/12/38/09/225123809.db2.gz LGXKISODHQDCGI-LEAZDLGRSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000295686294 225123812 /nfs/dbraw/zinc/12/38/12/225123812.db2.gz LGXKISODHQDCGI-LEAZDLGRSA-N 2 2 316.489 3.038 20 0 DGADLP Clc1nccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Cl ZINC000290906805 222010851 /nfs/dbraw/zinc/01/08/51/222010851.db2.gz OQFCFTKNPWTATK-UHFFFAOYSA-N 2 2 300.233 3.105 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000291081570 222122856 /nfs/dbraw/zinc/12/28/56/222122856.db2.gz NQVMZQREASIDNL-IRXDYDNUSA-N 2 2 303.450 3.089 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000291081570 222122859 /nfs/dbraw/zinc/12/28/59/222122859.db2.gz NQVMZQREASIDNL-IRXDYDNUSA-N 2 2 303.450 3.089 20 0 DGADLP c1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(NC3CC3)[nH+]cn2)cc1 ZINC000413042598 230117522 /nfs/dbraw/zinc/11/75/22/230117522.db2.gz IJOPGSCIYPXSEK-QGZVFWFLSA-N 2 2 323.444 3.300 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413067574 230125212 /nfs/dbraw/zinc/12/52/12/230125212.db2.gz WSRCLJHEXQADEU-AWEZNQCLSA-N 2 2 303.454 3.117 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413067574 230125216 /nfs/dbraw/zinc/12/52/16/230125216.db2.gz WSRCLJHEXQADEU-AWEZNQCLSA-N 2 2 303.454 3.117 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413067574 230125220 /nfs/dbraw/zinc/12/52/20/230125220.db2.gz WSRCLJHEXQADEU-AWEZNQCLSA-N 2 2 303.454 3.117 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413067574 230125223 /nfs/dbraw/zinc/12/52/23/230125223.db2.gz WSRCLJHEXQADEU-AWEZNQCLSA-N 2 2 303.454 3.117 20 0 DGADLP Cc1cccc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000302235259 230192120 /nfs/dbraw/zinc/19/21/20/230192120.db2.gz IBLQMABNLWKBLS-KRWDZBQOSA-N 2 2 310.445 3.013 20 0 DGADLP CCCc1nc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)no1 ZINC000182793067 432228687 /nfs/dbraw/zinc/22/86/87/432228687.db2.gz ZDTVXQCECZQVNM-UHFFFAOYSA-N 2 2 322.497 3.356 20 0 DGADLP Clc1ccc([C@H]2OCC[C@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000192043837 263770443 /nfs/dbraw/zinc/77/04/43/263770443.db2.gz CWCLVWGKQSPZPP-IAGOWNOFSA-N 2 2 308.853 3.246 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000346314372 264008544 /nfs/dbraw/zinc/00/85/44/264008544.db2.gz GFERZHKYGOFBGN-BARLLCKDSA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000346314372 264008545 /nfs/dbraw/zinc/00/85/45/264008545.db2.gz GFERZHKYGOFBGN-BARLLCKDSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000346317208 264009957 /nfs/dbraw/zinc/00/99/57/264009957.db2.gz VMOCYGZRLNYWAL-UHFFFAOYSA-N 2 2 314.820 3.385 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000346317208 264009958 /nfs/dbraw/zinc/00/99/58/264009958.db2.gz VMOCYGZRLNYWAL-UHFFFAOYSA-N 2 2 314.820 3.385 20 0 DGADLP CS[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)(C)C ZINC000346334787 264013051 /nfs/dbraw/zinc/01/30/51/264013051.db2.gz OEAUBLWDLZKEEW-QGZVFWFLSA-N 2 2 321.534 3.413 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000346374075 264020918 /nfs/dbraw/zinc/02/09/18/264020918.db2.gz XAQZQOWCBJCDNK-INIZCTEOSA-N 2 2 322.880 3.321 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(OC)c1 ZINC000346449940 264033878 /nfs/dbraw/zinc/03/38/78/264033878.db2.gz DLLXKZRQFPEUKW-KFKAGJAMSA-N 2 2 320.477 3.235 20 0 DGADLP Fc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000346514616 264045211 /nfs/dbraw/zinc/04/52/11/264045211.db2.gz BRPPYDLASKXVEJ-UHFFFAOYSA-N 2 2 302.397 3.110 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CCO)c2ccco2)CC1 ZINC000346530201 264047524 /nfs/dbraw/zinc/04/75/24/264047524.db2.gz RCKKTHUJXTVPPA-NJAFHUGGSA-N 2 2 320.477 3.336 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346584388 264059636 /nfs/dbraw/zinc/05/96/36/264059636.db2.gz XHUAGHHXBKFEEO-YTQUADARSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346584388 264059639 /nfs/dbraw/zinc/05/96/39/264059639.db2.gz XHUAGHHXBKFEEO-YTQUADARSA-N 2 2 304.478 3.300 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC([NH3+])CC1 ZINC000346646799 264071854 /nfs/dbraw/zinc/07/18/54/264071854.db2.gz MPYSJXUEXFEGJP-AWEZNQCLSA-N 2 2 307.457 3.231 20 0 DGADLP COc1ccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)cc1 ZINC000346687115 264079949 /nfs/dbraw/zinc/07/99/49/264079949.db2.gz VMAMSDXPNGACHC-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)cc1 ZINC000346687115 264079951 /nfs/dbraw/zinc/07/99/51/264079951.db2.gz VMAMSDXPNGACHC-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784458 264095830 /nfs/dbraw/zinc/09/58/30/264095830.db2.gz BOOMXFDYWQZOOS-XEZPLFJOSA-N 2 2 315.461 3.050 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784458 264095833 /nfs/dbraw/zinc/09/58/33/264095833.db2.gz BOOMXFDYWQZOOS-XEZPLFJOSA-N 2 2 315.461 3.050 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346823048 264103584 /nfs/dbraw/zinc/10/35/84/264103584.db2.gz JYCRDLJAEDLCRX-HZPDHXFCSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346823048 264103586 /nfs/dbraw/zinc/10/35/86/264103586.db2.gz JYCRDLJAEDLCRX-HZPDHXFCSA-N 2 2 321.896 3.018 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346843576 264107372 /nfs/dbraw/zinc/10/73/72/264107372.db2.gz KHTYCCKTYULQLA-DUFXMDAXSA-N 2 2 315.244 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346843576 264107374 /nfs/dbraw/zinc/10/73/74/264107374.db2.gz KHTYCCKTYULQLA-DUFXMDAXSA-N 2 2 315.244 3.171 20 0 DGADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000347026409 264142824 /nfs/dbraw/zinc/14/28/24/264142824.db2.gz TVKRLEZBEWXPQX-CYBMUJFWSA-N 2 2 308.853 3.442 20 0 DGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000347026409 264142826 /nfs/dbraw/zinc/14/28/26/264142826.db2.gz TVKRLEZBEWXPQX-CYBMUJFWSA-N 2 2 308.853 3.442 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OC(C)C ZINC000347034866 264144691 /nfs/dbraw/zinc/14/46/91/264144691.db2.gz DESJUZBLURKPKL-GDBMZVCRSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OC(C)C ZINC000347034866 264144694 /nfs/dbraw/zinc/14/46/94/264144694.db2.gz DESJUZBLURKPKL-GDBMZVCRSA-N 2 2 306.450 3.042 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000347065476 264150870 /nfs/dbraw/zinc/15/08/70/264150870.db2.gz LMGYIOMCXZHHCP-WFASDCNBSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000347065476 264150871 /nfs/dbraw/zinc/15/08/71/264150871.db2.gz LMGYIOMCXZHHCP-WFASDCNBSA-N 2 2 316.367 3.187 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347116700 264160228 /nfs/dbraw/zinc/16/02/28/264160228.db2.gz WYEXAOGBUAHSIW-MRXNPFEDSA-N 2 2 300.427 3.457 20 0 DGADLP CSc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347122284 264160890 /nfs/dbraw/zinc/16/08/90/264160890.db2.gz MIHUZFKJVNJJQC-INIZCTEOSA-N 2 2 300.427 3.457 20 0 DGADLP CSc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347122284 264160892 /nfs/dbraw/zinc/16/08/92/264160892.db2.gz MIHUZFKJVNJJQC-INIZCTEOSA-N 2 2 300.427 3.457 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@@H]1C[NH3+] ZINC000347123303 264161087 /nfs/dbraw/zinc/16/10/87/264161087.db2.gz XBJNRWPBIALJDR-BXUZGUMPSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@@H]1C[NH3+] ZINC000347123303 264161089 /nfs/dbraw/zinc/16/10/89/264161089.db2.gz XBJNRWPBIALJDR-BXUZGUMPSA-N 2 2 307.488 3.431 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347123590 264161675 /nfs/dbraw/zinc/16/16/75/264161675.db2.gz OXTFZOZJLKOBCK-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347123590 264161678 /nfs/dbraw/zinc/16/16/78/264161678.db2.gz OXTFZOZJLKOBCK-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347142620 264164714 /nfs/dbraw/zinc/16/47/14/264164714.db2.gz WVAQHJZSBUSEFB-QGZVFWFLSA-N 2 2 311.429 3.496 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347142620 264164716 /nfs/dbraw/zinc/16/47/16/264164716.db2.gz WVAQHJZSBUSEFB-QGZVFWFLSA-N 2 2 311.429 3.496 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OC ZINC000347159935 264166978 /nfs/dbraw/zinc/16/69/78/264166978.db2.gz GLHSGNRAYQIQON-HOCLYGCPSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OC ZINC000347159935 264166979 /nfs/dbraw/zinc/16/69/79/264166979.db2.gz GLHSGNRAYQIQON-HOCLYGCPSA-N 2 2 306.450 3.186 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000347172020 264169481 /nfs/dbraw/zinc/16/94/81/264169481.db2.gz OBICTKTWLTZATB-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000347172020 264169483 /nfs/dbraw/zinc/16/94/83/264169483.db2.gz OBICTKTWLTZATB-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000347172015 264169521 /nfs/dbraw/zinc/16/95/21/264169521.db2.gz OBICTKTWLTZATB-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000347172015 264169522 /nfs/dbraw/zinc/16/95/22/264169522.db2.gz OBICTKTWLTZATB-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP COC1CC([NH2+]C[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000347239584 264181710 /nfs/dbraw/zinc/18/17/10/264181710.db2.gz SIMBFCGYJZYBES-GPANFISMSA-N 2 2 308.491 3.288 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347304062 264193776 /nfs/dbraw/zinc/19/37/76/264193776.db2.gz IADCEXSCFVIBER-XLIONFOSSA-N 2 2 324.472 3.239 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)Cc2cccc(Cl)c2)s1 ZINC000347656570 264261037 /nfs/dbraw/zinc/26/10/37/264261037.db2.gz SMFIXDLUPDLVGB-UHFFFAOYSA-N 2 2 309.866 3.490 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)Cc2cccc(Cl)c2)s1 ZINC000347656570 264261040 /nfs/dbraw/zinc/26/10/40/264261040.db2.gz SMFIXDLUPDLVGB-UHFFFAOYSA-N 2 2 309.866 3.490 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347704512 264269940 /nfs/dbraw/zinc/26/99/40/264269940.db2.gz OICDDEDXGZJQQV-UHFFFAOYSA-N 2 2 314.424 3.222 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347704512 264269942 /nfs/dbraw/zinc/26/99/42/264269942.db2.gz OICDDEDXGZJQQV-UHFFFAOYSA-N 2 2 314.424 3.222 20 0 DGADLP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347866098 264298334 /nfs/dbraw/zinc/29/83/34/264298334.db2.gz CATKMBHNBPEBOJ-CYBMUJFWSA-N 2 2 301.459 3.152 20 0 DGADLP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347866098 264298337 /nfs/dbraw/zinc/29/83/37/264298337.db2.gz CATKMBHNBPEBOJ-CYBMUJFWSA-N 2 2 301.459 3.152 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000347998382 264321272 /nfs/dbraw/zinc/32/12/72/264321272.db2.gz IOCXVOKPXPSAFU-FUHWJXTLSA-N 2 2 304.503 3.481 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000347998382 264321274 /nfs/dbraw/zinc/32/12/74/264321274.db2.gz IOCXVOKPXPSAFU-FUHWJXTLSA-N 2 2 304.503 3.481 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000348076963 264334609 /nfs/dbraw/zinc/33/46/09/264334609.db2.gz KPHSNWVLCNROBG-GOSISDBHSA-N 2 2 312.461 3.247 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000348129399 264347125 /nfs/dbraw/zinc/34/71/25/264347125.db2.gz FNPLLRISIRHEQR-PGRDOPGGSA-N 2 2 316.470 3.032 20 0 DGADLP CCCCn1cc(C[NH2+]CCCc2c[nH+]ccc2C)c(C)n1 ZINC000348138606 264349761 /nfs/dbraw/zinc/34/97/61/264349761.db2.gz FYULIMYNGOGSTD-UHFFFAOYSA-N 2 2 300.450 3.417 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348194743 264361763 /nfs/dbraw/zinc/36/17/63/264361763.db2.gz ULWIENRTMICNTM-ARJAWSKDSA-N 2 2 304.397 3.129 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348260688 264377287 /nfs/dbraw/zinc/37/72/87/264377287.db2.gz DUIFNYQNIBOPGV-IEBWSBKVSA-N 2 2 316.489 3.269 20 0 DGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348323069 264389849 /nfs/dbraw/zinc/38/98/49/264389849.db2.gz CWJVCQIBTXPTJN-QWRGUYRKSA-N 2 2 317.246 3.059 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330625 264391565 /nfs/dbraw/zinc/39/15/65/264391565.db2.gz TUNJBKQAVZQGHB-XPTSAGLGSA-N 2 2 322.321 3.413 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330625 264391567 /nfs/dbraw/zinc/39/15/67/264391567.db2.gz TUNJBKQAVZQGHB-XPTSAGLGSA-N 2 2 322.321 3.413 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348522711 264420276 /nfs/dbraw/zinc/42/02/76/264420276.db2.gz ZDSBVJFKHVNCRM-JKSUJKDBSA-N 2 2 321.371 3.431 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000351955706 264874807 /nfs/dbraw/zinc/87/48/07/264874807.db2.gz KUDVBGPHCBPNKJ-UHFFFAOYSA-N 2 2 304.438 3.084 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)c1 ZINC000352344253 265009258 /nfs/dbraw/zinc/00/92/58/265009258.db2.gz DFUMAYCTKIEDIJ-DOTOQJQBSA-N 2 2 311.429 3.429 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000352347733 265010394 /nfs/dbraw/zinc/01/03/94/265010394.db2.gz XPPRDEKDJCZHHP-QWHCGFSZSA-N 2 2 316.474 3.371 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000352347733 265010397 /nfs/dbraw/zinc/01/03/97/265010397.db2.gz XPPRDEKDJCZHHP-QWHCGFSZSA-N 2 2 316.474 3.371 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352375901 265023857 /nfs/dbraw/zinc/02/38/57/265023857.db2.gz HBTOXHIZQZQONP-UYSNPLJNSA-N 2 2 322.880 3.286 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352375901 265023858 /nfs/dbraw/zinc/02/38/58/265023858.db2.gz HBTOXHIZQZQONP-UYSNPLJNSA-N 2 2 322.880 3.286 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000352451399 265053550 /nfs/dbraw/zinc/05/35/50/265053550.db2.gz WOBLBCIKVQKNNH-RXBGNRNISA-N 2 2 300.446 3.063 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000352451399 265053553 /nfs/dbraw/zinc/05/35/53/265053553.db2.gz WOBLBCIKVQKNNH-RXBGNRNISA-N 2 2 300.446 3.063 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494360 265068336 /nfs/dbraw/zinc/06/83/36/265068336.db2.gz ASIKPUUIKDSHRN-VCBZYWHSSA-N 2 2 311.429 3.475 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494360 265068339 /nfs/dbraw/zinc/06/83/39/265068339.db2.gz ASIKPUUIKDSHRN-VCBZYWHSSA-N 2 2 311.429 3.475 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1noc(-c2ccccc2)n1)CC1CCCC1 ZINC000352507747 265073216 /nfs/dbraw/zinc/07/32/16/265073216.db2.gz CZZKQOORRVGQMW-UHFFFAOYSA-N 2 2 314.433 3.078 20 0 DGADLP [NH3+]CCC[N@H+](Cc1noc(-c2ccccc2)n1)CC1CCCC1 ZINC000352507747 265073218 /nfs/dbraw/zinc/07/32/18/265073218.db2.gz CZZKQOORRVGQMW-UHFFFAOYSA-N 2 2 314.433 3.078 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCCOC1 ZINC000352518420 265077099 /nfs/dbraw/zinc/07/70/99/265077099.db2.gz IBAZPIWZXUHASL-PBWTXFEYSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCCOC1 ZINC000352518420 265077101 /nfs/dbraw/zinc/07/71/01/265077101.db2.gz IBAZPIWZXUHASL-PBWTXFEYSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606118 265102531 /nfs/dbraw/zinc/10/25/31/265102531.db2.gz UYCKPCQPAFGFAH-WBVHZDCISA-N 2 2 319.493 3.326 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606118 265102534 /nfs/dbraw/zinc/10/25/34/265102534.db2.gz UYCKPCQPAFGFAH-WBVHZDCISA-N 2 2 319.493 3.326 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720652 265140095 /nfs/dbraw/zinc/14/00/95/265140095.db2.gz MJGAIVNWSTZQPZ-CRAIPNDOSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720652 265140097 /nfs/dbraw/zinc/14/00/97/265140097.db2.gz MJGAIVNWSTZQPZ-CRAIPNDOSA-N 2 2 308.441 3.223 20 0 DGADLP CSCc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352737999 265146630 /nfs/dbraw/zinc/14/66/30/265146630.db2.gz LFVBEZIFNKYDEN-UHFFFAOYSA-N 2 2 321.515 3.358 20 0 DGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749670 265150469 /nfs/dbraw/zinc/15/04/69/265150469.db2.gz NQXWNEJSMVWFHP-SJKOYZFVSA-N 2 2 301.459 3.228 20 0 DGADLP Cc1[nH+]ccc(N2CCC[N@H+](Cc3cscn3)CC2)c1Cl ZINC000352747882 265151027 /nfs/dbraw/zinc/15/10/27/265151027.db2.gz YDJNRHAXARTYKM-UHFFFAOYSA-N 2 2 322.865 3.212 20 0 DGADLP Cc1[nH+]ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c1Cl ZINC000352747882 265151030 /nfs/dbraw/zinc/15/10/30/265151030.db2.gz YDJNRHAXARTYKM-UHFFFAOYSA-N 2 2 322.865 3.212 20 0 DGADLP Cc1cnc([C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)s1 ZINC000352759861 265155722 /nfs/dbraw/zinc/15/57/22/265155722.db2.gz MLFUIPDRRQNLQE-CQSZACIVSA-N 2 2 322.503 3.211 20 0 DGADLP CC(C)c1nc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cs1 ZINC000352777713 265162534 /nfs/dbraw/zinc/16/25/34/265162534.db2.gz CKGCEGWAHZOKCD-UHFFFAOYSA-N 2 2 324.519 3.117 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352778019 265162771 /nfs/dbraw/zinc/16/27/71/265162771.db2.gz DXSRISOKSCEIRG-LBPRGKRZSA-N 2 2 305.447 3.064 20 0 DGADLP C[C@H]1CCc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc2C1 ZINC000352855469 265200250 /nfs/dbraw/zinc/20/02/50/265200250.db2.gz YDTPZAFHGCDRPG-LBPRGKRZSA-N 2 2 316.474 3.371 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928421 265232963 /nfs/dbraw/zinc/23/29/63/265232963.db2.gz CEHUTGUYQYGUJG-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928421 265232966 /nfs/dbraw/zinc/23/29/66/265232966.db2.gz CEHUTGUYQYGUJG-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928421 265232968 /nfs/dbraw/zinc/23/29/68/265232968.db2.gz CEHUTGUYQYGUJG-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928421 265232971 /nfs/dbraw/zinc/23/29/71/265232971.db2.gz CEHUTGUYQYGUJG-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000353273082 265370436 /nfs/dbraw/zinc/37/04/36/265370436.db2.gz GUYOKDQEFPRZLK-KFWWJZLASA-N 2 2 318.452 3.289 20 0 DGADLP COc1ccc([C@H](CCO)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354581852 265816094 /nfs/dbraw/zinc/81/60/94/265816094.db2.gz XPSXSGVHKADLSU-IBGZPJMESA-N 2 2 314.429 3.045 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCC[C@H](C)O)CC1 ZINC000355237819 266011056 /nfs/dbraw/zinc/01/10/56/266011056.db2.gz JEWRFDVRMZENLS-HNNXBMFYSA-N 2 2 315.461 3.397 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238746 266012455 /nfs/dbraw/zinc/01/24/55/266012455.db2.gz NWOUFZJYDWLSML-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238746 266012458 /nfs/dbraw/zinc/01/24/58/266012458.db2.gz NWOUFZJYDWLSML-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238746 266012459 /nfs/dbraw/zinc/01/24/59/266012459.db2.gz NWOUFZJYDWLSML-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238746 266012463 /nfs/dbraw/zinc/01/24/63/266012463.db2.gz NWOUFZJYDWLSML-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP Cc1cc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000355437881 266074948 /nfs/dbraw/zinc/07/49/48/266074948.db2.gz YNDAQDLFHKDCNA-INIZCTEOSA-N 2 2 314.433 3.092 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000355478999 266087970 /nfs/dbraw/zinc/08/79/70/266087970.db2.gz YTCXLLMQCXBWFN-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000355478999 266087973 /nfs/dbraw/zinc/08/79/73/266087973.db2.gz YTCXLLMQCXBWFN-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000355478997 266088176 /nfs/dbraw/zinc/08/81/76/266088176.db2.gz YTCXLLMQCXBWFN-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000355478997 266088178 /nfs/dbraw/zinc/08/81/78/266088178.db2.gz YTCXLLMQCXBWFN-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000355517489 266100836 /nfs/dbraw/zinc/10/08/36/266100836.db2.gz RLXHBPHJCAQFGJ-MRXNPFEDSA-N 2 2 313.445 3.408 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000355773510 266178896 /nfs/dbraw/zinc/17/88/96/266178896.db2.gz NFBRKDXPDCRQHM-KCITZHQASA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000355773510 266178899 /nfs/dbraw/zinc/17/88/99/266178899.db2.gz NFBRKDXPDCRQHM-KCITZHQASA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000355918998 266228897 /nfs/dbraw/zinc/22/88/97/266228897.db2.gz VZEVBGYOKSWBST-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000355918998 266228899 /nfs/dbraw/zinc/22/88/99/266228899.db2.gz VZEVBGYOKSWBST-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000356250642 266332455 /nfs/dbraw/zinc/33/24/55/266332455.db2.gz HECOIMWJRHTWJB-SFHVURJKSA-N 2 2 312.413 3.176 20 0 DGADLP COc1ccccc1CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000356250642 266332460 /nfs/dbraw/zinc/33/24/60/266332460.db2.gz HECOIMWJRHTWJB-SFHVURJKSA-N 2 2 312.413 3.176 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182861902 432236408 /nfs/dbraw/zinc/23/64/08/432236408.db2.gz SKFCMQQVGUZTGF-GOSISDBHSA-N 3 2 318.509 3.250 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182861902 432236410 /nfs/dbraw/zinc/23/64/10/432236410.db2.gz SKFCMQQVGUZTGF-GOSISDBHSA-N 3 2 318.509 3.250 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)no1 ZINC000270354413 432235822 /nfs/dbraw/zinc/23/58/22/432235822.db2.gz QLQKRQHSZSOXCO-MRXNPFEDSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)no1 ZINC000270354413 432235825 /nfs/dbraw/zinc/23/58/25/432235825.db2.gz QLQKRQHSZSOXCO-MRXNPFEDSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000270376537 432238936 /nfs/dbraw/zinc/23/89/36/432238936.db2.gz VFECTRYCBMZHPH-SFHVURJKSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000270376537 432238941 /nfs/dbraw/zinc/23/89/41/432238941.db2.gz VFECTRYCBMZHPH-SFHVURJKSA-N 2 2 320.440 3.447 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191262255 432241283 /nfs/dbraw/zinc/24/12/83/432241283.db2.gz TWXFTRGVEJOEJF-UHFFFAOYSA-N 2 2 318.509 3.232 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191262255 432241288 /nfs/dbraw/zinc/24/12/88/432241288.db2.gz TWXFTRGVEJOEJF-UHFFFAOYSA-N 2 2 318.509 3.232 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182970341 432247600 /nfs/dbraw/zinc/24/76/00/432247600.db2.gz OHFUXTWYCKPYFJ-KRWDZBQOSA-N 2 2 315.436 3.447 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182970341 432247605 /nfs/dbraw/zinc/24/76/05/432247605.db2.gz OHFUXTWYCKPYFJ-KRWDZBQOSA-N 2 2 315.436 3.447 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nccn1-c1ccccc1 ZINC000367568081 271043672 /nfs/dbraw/zinc/04/36/72/271043672.db2.gz VWSZEKSPTMCZAT-DUZACMNTSA-N 2 2 310.445 3.148 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccn1-c1ccccc1 ZINC000367568081 271043678 /nfs/dbraw/zinc/04/36/78/271043678.db2.gz VWSZEKSPTMCZAT-DUZACMNTSA-N 2 2 310.445 3.148 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccoc1 ZINC000367590534 271046969 /nfs/dbraw/zinc/04/69/69/271046969.db2.gz UQAVQYGTOYYFFL-KURKYZTESA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccoc1 ZINC000367590534 271046973 /nfs/dbraw/zinc/04/69/73/271046973.db2.gz UQAVQYGTOYYFFL-KURKYZTESA-N 2 2 306.450 3.210 20 0 DGADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367697237 271065630 /nfs/dbraw/zinc/06/56/30/271065630.db2.gz CBKWEFAGWRWVFY-HOCLYGCPSA-N 2 2 301.409 3.370 20 0 DGADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367697237 271065633 /nfs/dbraw/zinc/06/56/33/271065633.db2.gz CBKWEFAGWRWVFY-HOCLYGCPSA-N 2 2 301.409 3.370 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3ccc(O)cc31)CCC2 ZINC000367759704 271074025 /nfs/dbraw/zinc/07/40/25/271074025.db2.gz VOUIVUDUQILQED-CRAIPNDOSA-N 2 2 311.429 3.442 20 0 DGADLP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367996553 271108470 /nfs/dbraw/zinc/10/84/70/271108470.db2.gz HWCJSMZQDAQRHD-DLBZAZTESA-N 3 2 309.542 3.349 20 0 DGADLP Clc1cnn(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000367996612 271108577 /nfs/dbraw/zinc/10/85/77/271108577.db2.gz COSROSCXILPVQE-UHFFFAOYSA-N 2 2 315.808 3.021 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000368045756 271122815 /nfs/dbraw/zinc/12/28/15/271122815.db2.gz WKCIOZJYALWJFL-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000368045756 271122817 /nfs/dbraw/zinc/12/28/17/271122817.db2.gz WKCIOZJYALWJFL-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368142178 271142857 /nfs/dbraw/zinc/14/28/57/271142857.db2.gz IXSRRIKTGSSANE-QRWLVFNGSA-N 2 2 323.440 3.158 20 0 DGADLP Cc1ccc(NC(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)cc1C ZINC000369027747 271233099 /nfs/dbraw/zinc/23/30/99/271233099.db2.gz PZGQGYRGTGRODT-UHFFFAOYSA-N 2 2 311.433 3.015 20 0 DGADLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000369024985 271233806 /nfs/dbraw/zinc/23/38/06/271233806.db2.gz BBUXNWNVMNJZOV-OAHLLOKOSA-N 2 2 319.497 3.091 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000369186685 271249627 /nfs/dbraw/zinc/24/96/27/271249627.db2.gz FATFQIMHEIOWGX-GOSISDBHSA-N 2 2 304.482 3.223 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000369186685 271249629 /nfs/dbraw/zinc/24/96/29/271249629.db2.gz FATFQIMHEIOWGX-GOSISDBHSA-N 2 2 304.482 3.223 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000183043690 432251816 /nfs/dbraw/zinc/25/18/16/432251816.db2.gz OOPNJVVFLUGPPA-UHFFFAOYSA-N 2 2 307.397 3.349 20 0 DGADLP Cc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247892984 432252702 /nfs/dbraw/zinc/25/27/02/432252702.db2.gz FXADTODANNARIC-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247892984 432252704 /nfs/dbraw/zinc/25/27/04/432252704.db2.gz FXADTODANNARIC-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000183090219 432257665 /nfs/dbraw/zinc/25/76/65/432257665.db2.gz YEXIQTVACVLXBN-SJORKVTESA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000183090219 432257669 /nfs/dbraw/zinc/25/76/69/432257669.db2.gz YEXIQTVACVLXBN-SJORKVTESA-N 2 2 320.477 3.011 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000247981432 432258083 /nfs/dbraw/zinc/25/80/83/432258083.db2.gz MRMITBNPDNEVMI-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000247981432 432258088 /nfs/dbraw/zinc/25/80/88/432258088.db2.gz MRMITBNPDNEVMI-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423416279 274078355 /nfs/dbraw/zinc/07/83/55/274078355.db2.gz FQWARLQPNLVWRE-BEVDRBHNSA-N 2 2 310.441 3.239 20 0 DGADLP COc1ccc(F)c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000339282810 274112609 /nfs/dbraw/zinc/11/26/09/274112609.db2.gz BUAPYDTYDLJAFL-CYBMUJFWSA-N 2 2 303.381 3.006 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502336 274122668 /nfs/dbraw/zinc/12/26/68/274122668.db2.gz FESHUJKFNOOFRR-PWRODBHTSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)C[NH+](C)C ZINC000491597168 274224784 /nfs/dbraw/zinc/22/47/84/274224784.db2.gz RWOOLLUOAOXRTE-NSHDSACASA-N 2 2 318.292 3.347 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000305741759 274301987 /nfs/dbraw/zinc/30/19/87/274301987.db2.gz SCUMXDPDPSRAIX-XOKHGSTOSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000305741759 274301988 /nfs/dbraw/zinc/30/19/88/274301988.db2.gz SCUMXDPDPSRAIX-XOKHGSTOSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430742729 274356506 /nfs/dbraw/zinc/35/65/06/274356506.db2.gz MXXAIJPMIIMCGV-VYDXJSESSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430742729 274356507 /nfs/dbraw/zinc/35/65/07/274356507.db2.gz MXXAIJPMIIMCGV-VYDXJSESSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[C@@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000419723271 274397666 /nfs/dbraw/zinc/39/76/66/274397666.db2.gz FQMMAIFUJSGGKE-PXAZEXFGSA-N 2 2 318.852 3.164 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000422641610 274399409 /nfs/dbraw/zinc/39/94/09/274399409.db2.gz YAZBTQGGSASZEE-OUAUKWLOSA-N 2 2 302.249 3.194 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000422641610 274399411 /nfs/dbraw/zinc/39/94/11/274399411.db2.gz YAZBTQGGSASZEE-OUAUKWLOSA-N 2 2 302.249 3.194 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CO2 ZINC000423054589 274913650 /nfs/dbraw/zinc/91/36/50/274913650.db2.gz VBNJPXUVGCCYGI-CGTJXYLNSA-N 2 2 312.388 3.342 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261835526 275064456 /nfs/dbraw/zinc/06/44/56/275064456.db2.gz YATLTGCFYQDMMD-OKZBNKHCSA-N 2 2 314.477 3.405 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000450252046 275071328 /nfs/dbraw/zinc/07/13/28/275071328.db2.gz FXTUURLSKNXQLB-CHWSQXEVSA-N 2 2 307.401 3.150 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000450252046 275071330 /nfs/dbraw/zinc/07/13/30/275071330.db2.gz FXTUURLSKNXQLB-CHWSQXEVSA-N 2 2 307.401 3.150 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000450252048 275071370 /nfs/dbraw/zinc/07/13/70/275071370.db2.gz FXTUURLSKNXQLB-OLZOCXBDSA-N 2 2 307.401 3.150 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000450252048 275071371 /nfs/dbraw/zinc/07/13/71/275071371.db2.gz FXTUURLSKNXQLB-OLZOCXBDSA-N 2 2 307.401 3.150 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCCC2 ZINC000423209527 275372182 /nfs/dbraw/zinc/37/21/82/275372182.db2.gz GICUIFWBEYPACE-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)[C@H](C)[C@@H]1OC ZINC000344102429 275962741 /nfs/dbraw/zinc/96/27/41/275962741.db2.gz NMVHWUWWOINNOF-NXOAAHMSSA-N 2 2 319.493 3.498 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000462966558 276217461 /nfs/dbraw/zinc/21/74/61/276217461.db2.gz QBKYXPIFAKCPEH-NILFDRSVSA-N 2 2 310.388 3.108 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000462966558 276217463 /nfs/dbraw/zinc/21/74/63/276217463.db2.gz QBKYXPIFAKCPEH-NILFDRSVSA-N 2 2 310.388 3.108 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000423390090 276270766 /nfs/dbraw/zinc/27/07/66/276270766.db2.gz VRVIWIKOJPIZPM-RISCZKNCSA-N 2 2 311.267 3.332 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422729715 276586944 /nfs/dbraw/zinc/58/69/44/276586944.db2.gz ILCKJJTXFBINSE-KBPBESRZSA-N 2 2 316.367 3.248 20 0 DGADLP C[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423222335 277272740 /nfs/dbraw/zinc/27/27/40/277272740.db2.gz APHVGYAGPNXKKP-CYBMUJFWSA-N 2 2 305.422 3.136 20 0 DGADLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000435370769 277376221 /nfs/dbraw/zinc/37/62/21/277376221.db2.gz JSURHCAZLWQOFK-CQSZACIVSA-N 2 2 314.429 3.150 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000435370769 277376222 /nfs/dbraw/zinc/37/62/22/277376222.db2.gz JSURHCAZLWQOFK-CQSZACIVSA-N 2 2 314.429 3.150 20 0 DGADLP CSc1cc(Br)ccc1C[NH2+]CC1([NH3+])CCC1 ZINC000414880511 278169283 /nfs/dbraw/zinc/16/92/83/278169283.db2.gz QVWRVNINYCHPCU-UHFFFAOYSA-N 2 2 315.280 3.142 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000338194396 278232267 /nfs/dbraw/zinc/23/22/67/278232267.db2.gz WYFWFTTUZUEWAG-LBPRGKRZSA-N 2 2 317.260 3.194 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cn1 ZINC000279673905 278274553 /nfs/dbraw/zinc/27/45/53/278274553.db2.gz IBQLEPDPCAPQRA-YUTCNCBUSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cn1 ZINC000279673905 278274555 /nfs/dbraw/zinc/27/45/55/278274555.db2.gz IBQLEPDPCAPQRA-YUTCNCBUSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1nc2ccccc2n1C ZINC000180145871 278345964 /nfs/dbraw/zinc/34/59/64/278345964.db2.gz GFGIDILGACGVMU-CQSZACIVSA-N 2 2 309.417 3.121 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000344730175 278389315 /nfs/dbraw/zinc/38/93/15/278389315.db2.gz NKFDFWKGVZGXPS-LFGUQSLTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000344730175 278389317 /nfs/dbraw/zinc/38/93/17/278389317.db2.gz NKFDFWKGVZGXPS-LFGUQSLTSA-N 2 2 316.489 3.302 20 0 DGADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422962774 278548829 /nfs/dbraw/zinc/54/88/29/278548829.db2.gz DETSPJJSBRACLJ-YLJYHZDGSA-N 3 2 315.505 3.006 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000301697003 278762007 /nfs/dbraw/zinc/76/20/07/278762007.db2.gz BSNRCYQIGFPDNW-QGZVFWFLSA-N 2 2 313.445 3.048 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000155718340 278989034 /nfs/dbraw/zinc/98/90/34/278989034.db2.gz FTZSGJDFOZCHGC-RISCZKNCSA-N 2 2 320.234 3.484 20 0 DGADLP CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613056 279056626 /nfs/dbraw/zinc/05/66/26/279056626.db2.gz IQKQRNGZLARNOK-QGZVFWFLSA-N 2 2 317.477 3.014 20 0 DGADLP CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613056 279056628 /nfs/dbraw/zinc/05/66/28/279056628.db2.gz IQKQRNGZLARNOK-QGZVFWFLSA-N 2 2 317.477 3.014 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000422779666 279369597 /nfs/dbraw/zinc/36/95/97/279369597.db2.gz IPDHQDIVMYNCEI-ZMYBRWDISA-N 2 2 320.452 3.414 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000069710621 431217079 /nfs/dbraw/zinc/21/70/79/431217079.db2.gz DBSGVVNEEORJKJ-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000070143193 431243692 /nfs/dbraw/zinc/24/36/92/431243692.db2.gz CXXRIWYQNLQSKL-HNNXBMFYSA-N 2 2 306.841 3.380 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000070149880 431243911 /nfs/dbraw/zinc/24/39/11/431243911.db2.gz JUTIIMSJHXKFJC-ZDUSSCGKSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1Br ZINC000070149880 431243917 /nfs/dbraw/zinc/24/39/17/431243917.db2.gz JUTIIMSJHXKFJC-ZDUSSCGKSA-N 2 2 315.230 3.292 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000112198767 431256082 /nfs/dbraw/zinc/25/60/82/431256082.db2.gz NZZWKAAVVLAYHY-KRWDZBQOSA-N 2 2 313.401 3.399 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000071146021 431271519 /nfs/dbraw/zinc/27/15/19/431271519.db2.gz KCCUAULMWIZFBK-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000071146021 431271524 /nfs/dbraw/zinc/27/15/24/431271524.db2.gz KCCUAULMWIZFBK-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000073852567 431386812 /nfs/dbraw/zinc/38/68/12/431386812.db2.gz BGUSDBIZLCHQJN-GFCCVEGCSA-N 2 2 308.223 3.132 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H]1SC ZINC000459384461 279871515 /nfs/dbraw/zinc/87/15/15/279871515.db2.gz CXQGJUVDNLYLMT-BSDSXHPESA-N 2 2 322.518 3.096 20 0 DGADLP CC[N@H+](CCCSC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108616 431527003 /nfs/dbraw/zinc/52/70/03/431527003.db2.gz XTIIIBAVFVOPDD-UHFFFAOYSA-N 2 2 307.507 3.373 20 0 DGADLP CC[N@@H+](CCCSC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108616 431527009 /nfs/dbraw/zinc/52/70/09/431527009.db2.gz XTIIIBAVFVOPDD-UHFFFAOYSA-N 2 2 307.507 3.373 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000119111951 431647420 /nfs/dbraw/zinc/64/74/20/431647420.db2.gz YVPFTUHZUWCDKG-BEFAXECRSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000119111951 431647421 /nfs/dbraw/zinc/64/74/21/431647421.db2.gz YVPFTUHZUWCDKG-BEFAXECRSA-N 2 2 324.472 3.409 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100754 431648122 /nfs/dbraw/zinc/64/81/22/431648122.db2.gz KJRAEQNMLYSPKD-RBUKOAKNSA-N 2 2 312.461 3.125 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100754 431648125 /nfs/dbraw/zinc/64/81/25/431648125.db2.gz KJRAEQNMLYSPKD-RBUKOAKNSA-N 2 2 312.461 3.125 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000119280840 431671065 /nfs/dbraw/zinc/67/10/65/431671065.db2.gz VJAYFWMZRGDZCQ-OAHLLOKOSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000119280840 431671073 /nfs/dbraw/zinc/67/10/73/431671073.db2.gz VJAYFWMZRGDZCQ-OAHLLOKOSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc[nH+]1 ZINC000119304670 431673920 /nfs/dbraw/zinc/67/39/20/431673920.db2.gz FDMDWYLSIGDCKL-UHFFFAOYSA-N 2 2 316.449 3.166 20 0 DGADLP CC(C)COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000078543358 431680010 /nfs/dbraw/zinc/68/00/10/431680010.db2.gz FKWXPNXDQNVUGT-INIZCTEOSA-N 2 2 301.434 3.344 20 0 DGADLP Cc1cc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119378007 431685044 /nfs/dbraw/zinc/68/50/44/431685044.db2.gz QVIKGZSUYQXMEH-HNNXBMFYSA-N 2 2 312.417 3.032 20 0 DGADLP Cc1cc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119378007 431685048 /nfs/dbraw/zinc/68/50/48/431685048.db2.gz QVIKGZSUYQXMEH-HNNXBMFYSA-N 2 2 312.417 3.032 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000078913609 431710695 /nfs/dbraw/zinc/71/06/95/431710695.db2.gz NBNOBMLGMCUXQT-UHFFFAOYSA-N 2 2 320.408 3.144 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000078913609 431710703 /nfs/dbraw/zinc/71/07/03/431710703.db2.gz NBNOBMLGMCUXQT-UHFFFAOYSA-N 2 2 320.408 3.144 20 0 DGADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423210461 280728794 /nfs/dbraw/zinc/72/87/94/280728794.db2.gz WRUCSVQETONODV-GJZGRUSLSA-N 2 2 313.470 3.447 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031993369 431772651 /nfs/dbraw/zinc/77/26/51/431772651.db2.gz KVKOHZKKLBBOSA-OAHLLOKOSA-N 2 2 315.244 3.058 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031993369 431772656 /nfs/dbraw/zinc/77/26/56/431772656.db2.gz KVKOHZKKLBBOSA-OAHLLOKOSA-N 2 2 315.244 3.058 20 0 DGADLP Brc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996444 431842428 /nfs/dbraw/zinc/84/24/28/431842428.db2.gz SICAMEMQZYAOAI-LSDHHAIUSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996444 431842430 /nfs/dbraw/zinc/84/24/30/431842430.db2.gz SICAMEMQZYAOAI-LSDHHAIUSA-N 2 2 309.251 3.166 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3cccs3)oc2C)CC[C@@H]1[NH3+] ZINC000122742743 431843845 /nfs/dbraw/zinc/84/38/45/431843845.db2.gz QCEYVHQMAYZCCJ-OLZOCXBDSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)oc2C)CC[C@@H]1[NH3+] ZINC000122742743 431843847 /nfs/dbraw/zinc/84/38/47/431843847.db2.gz QCEYVHQMAYZCCJ-OLZOCXBDSA-N 2 2 305.447 3.271 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000122877117 431847407 /nfs/dbraw/zinc/84/74/07/431847407.db2.gz YQBIMOLIBVNKBR-INIZCTEOSA-N 2 2 309.417 3.159 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000122877117 431847408 /nfs/dbraw/zinc/84/74/08/431847408.db2.gz YQBIMOLIBVNKBR-INIZCTEOSA-N 2 2 309.417 3.159 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000037859803 431851616 /nfs/dbraw/zinc/85/16/16/431851616.db2.gz HJUNWAXMXUPVCD-WCQYABFASA-N 2 2 317.260 3.101 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000037976760 431852516 /nfs/dbraw/zinc/85/25/16/431852516.db2.gz YEKDWTBYFITSIT-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(Br)o1)C[NH+]1CCCCC1 ZINC000038041660 431854494 /nfs/dbraw/zinc/85/44/94/431854494.db2.gz XRSKPNAFDAJFIB-LBPRGKRZSA-N 2 2 315.255 3.254 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000088728704 431859619 /nfs/dbraw/zinc/85/96/19/431859619.db2.gz PFXVOPDZFKGCGB-RDJZCZTQSA-N 2 2 318.461 3.143 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000088728704 431859621 /nfs/dbraw/zinc/85/96/21/431859621.db2.gz PFXVOPDZFKGCGB-RDJZCZTQSA-N 2 2 318.461 3.143 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)[NH+]2CCCC2)cc1 ZINC000125004592 431910615 /nfs/dbraw/zinc/91/06/15/431910615.db2.gz BSHCYSXQEAZKPI-QFBILLFUSA-N 2 2 312.461 3.216 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000125111120 431914733 /nfs/dbraw/zinc/91/47/33/431914733.db2.gz VQYVBHRMEFVDPJ-JKSUJKDBSA-N 2 2 310.445 3.353 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000124102320 431882819 /nfs/dbraw/zinc/88/28/19/431882819.db2.gz HYFPKDCLOQCKPN-UHFFFAOYSA-N 2 2 311.433 3.086 20 0 DGADLP COCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124110426 431883418 /nfs/dbraw/zinc/88/34/18/431883418.db2.gz KPQZQKIDIMDTLE-AWEZNQCLSA-N 2 2 310.869 3.319 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000090720574 431894665 /nfs/dbraw/zinc/89/46/65/431894665.db2.gz HEIWRLNYWYDEFW-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000090720574 431894667 /nfs/dbraw/zinc/89/46/67/431894667.db2.gz HEIWRLNYWYDEFW-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000090720575 431894973 /nfs/dbraw/zinc/89/49/73/431894973.db2.gz HEIWRLNYWYDEFW-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000090720575 431894974 /nfs/dbraw/zinc/89/49/74/431894974.db2.gz HEIWRLNYWYDEFW-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936734 431897322 /nfs/dbraw/zinc/89/73/22/431897322.db2.gz JLAVALAPDWOAFH-PVXIVEMSSA-N 2 2 314.832 3.096 20 0 DGADLP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936734 431897324 /nfs/dbraw/zinc/89/73/24/431897324.db2.gz JLAVALAPDWOAFH-PVXIVEMSSA-N 2 2 314.832 3.096 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1C ZINC000092078560 431907145 /nfs/dbraw/zinc/90/71/45/431907145.db2.gz YRMCDSXFBVJYKF-GOSISDBHSA-N 2 2 316.489 3.297 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1C ZINC000092078560 431907146 /nfs/dbraw/zinc/90/71/46/431907146.db2.gz YRMCDSXFBVJYKF-GOSISDBHSA-N 2 2 316.489 3.297 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066796 431907487 /nfs/dbraw/zinc/90/74/87/431907487.db2.gz YRLZSHWAWOINMU-PBHICJAKSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066796 431907490 /nfs/dbraw/zinc/90/74/90/431907490.db2.gz YRLZSHWAWOINMU-PBHICJAKSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066796 431907491 /nfs/dbraw/zinc/90/74/91/431907491.db2.gz YRLZSHWAWOINMU-PBHICJAKSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066796 431907494 /nfs/dbraw/zinc/90/74/94/431907494.db2.gz YRLZSHWAWOINMU-PBHICJAKSA-N 2 2 316.493 3.156 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000098092958 431978138 /nfs/dbraw/zinc/97/81/38/431978138.db2.gz WUARWMHLFHINQS-KRWDZBQOSA-N 2 2 309.413 3.241 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000098092958 431978141 /nfs/dbraw/zinc/97/81/41/431978141.db2.gz WUARWMHLFHINQS-KRWDZBQOSA-N 2 2 309.413 3.241 20 0 DGADLP CCc1ccc([C@@H]2COCC[N@@H+]2CCCCn2cc[nH+]c2C)o1 ZINC000125521347 431927989 /nfs/dbraw/zinc/92/79/89/431927989.db2.gz YBWTWELDIZDFAV-KRWDZBQOSA-N 2 2 317.433 3.201 20 0 DGADLP CCc1ccc([C@@H]2COCC[N@H+]2CCCCn2cc[nH+]c2C)o1 ZINC000125521347 431927991 /nfs/dbraw/zinc/92/79/91/431927991.db2.gz YBWTWELDIZDFAV-KRWDZBQOSA-N 2 2 317.433 3.201 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000126279883 431946147 /nfs/dbraw/zinc/94/61/47/431946147.db2.gz BUQUQCXGJALGEW-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126462658 431950560 /nfs/dbraw/zinc/95/05/60/431950560.db2.gz PILIDLYECIBUKB-AWEZNQCLSA-N 2 2 322.412 3.435 20 0 DGADLP CC(C)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419004 431956002 /nfs/dbraw/zinc/95/60/02/431956002.db2.gz PJLMDCHUCMZJTQ-UHFFFAOYSA-N 2 2 309.885 3.098 20 0 DGADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000127870184 431983229 /nfs/dbraw/zinc/98/32/29/431983229.db2.gz DMHAKWGYBQDRGL-GFCCVEGCSA-N 2 2 308.223 3.132 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000127805316 431981515 /nfs/dbraw/zinc/98/15/15/431981515.db2.gz GIYOIYHFKTWXRK-SWLSCSKDSA-N 2 2 301.409 3.064 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000127805316 431981517 /nfs/dbraw/zinc/98/15/17/431981517.db2.gz GIYOIYHFKTWXRK-SWLSCSKDSA-N 2 2 301.409 3.064 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000483203902 281146503 /nfs/dbraw/zinc/14/65/03/281146503.db2.gz WLZSYWKQNBWWOY-SFHVURJKSA-N 2 2 324.468 3.302 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000483203902 281146505 /nfs/dbraw/zinc/14/65/05/281146505.db2.gz WLZSYWKQNBWWOY-SFHVURJKSA-N 2 2 324.468 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151775824 432275653 /nfs/dbraw/zinc/27/56/53/432275653.db2.gz WQAQMUJSFFSLIG-SFTDATJTSA-N 2 2 324.468 3.147 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151775824 432275658 /nfs/dbraw/zinc/27/56/58/432275658.db2.gz WQAQMUJSFFSLIG-SFTDATJTSA-N 2 2 324.468 3.147 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000151793068 432276975 /nfs/dbraw/zinc/27/69/75/432276975.db2.gz TXONVHFRIKBBTI-OLMNPRSZSA-N 2 2 313.445 3.138 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000248390534 432282850 /nfs/dbraw/zinc/28/28/50/432282850.db2.gz CBROETYYTCJBKR-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000248390534 432282854 /nfs/dbraw/zinc/28/28/54/432282854.db2.gz CBROETYYTCJBKR-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102420230 431993605 /nfs/dbraw/zinc/99/36/05/431993605.db2.gz FDTVKUOZZCRCJN-UHFFFAOYSA-N 2 2 319.408 3.410 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nccn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000191443238 432265380 /nfs/dbraw/zinc/26/53/80/432265380.db2.gz YKKWTSYKIIWHEN-WMZOPIPTSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000191443238 432265385 /nfs/dbraw/zinc/26/53/85/432265385.db2.gz YKKWTSYKIIWHEN-WMZOPIPTSA-N 2 2 321.428 3.152 20 0 DGADLP c1cc2n(c1)CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]2c1ccccc1 ZINC000183187551 432266193 /nfs/dbraw/zinc/26/61/93/432266193.db2.gz RWJKTGBHPYNGOI-LJQANCHMSA-N 2 2 306.413 3.180 20 0 DGADLP c1cc2n(c1)CC[N@H+](CCCn1cc[nH+]c1)[C@@H]2c1ccccc1 ZINC000183187551 432266200 /nfs/dbraw/zinc/26/62/00/432266200.db2.gz RWJKTGBHPYNGOI-LJQANCHMSA-N 2 2 306.413 3.180 20 0 DGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000183188791 432266763 /nfs/dbraw/zinc/26/67/63/432266763.db2.gz GUJGRALVHQSPDB-INIZCTEOSA-N 2 2 314.433 3.012 20 0 DGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000183188791 432266768 /nfs/dbraw/zinc/26/67/68/432266768.db2.gz GUJGRALVHQSPDB-INIZCTEOSA-N 2 2 314.433 3.012 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248057258 432267217 /nfs/dbraw/zinc/26/72/17/432267217.db2.gz XNLIIOWUOZMXQW-BRSBDYLESA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248057258 432267222 /nfs/dbraw/zinc/26/72/22/432267222.db2.gz XNLIIOWUOZMXQW-BRSBDYLESA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000248057258 432267226 /nfs/dbraw/zinc/26/72/26/432267226.db2.gz XNLIIOWUOZMXQW-BRSBDYLESA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000248057258 432267230 /nfs/dbraw/zinc/26/72/30/432267230.db2.gz XNLIIOWUOZMXQW-BRSBDYLESA-N 2 2 319.493 3.125 20 0 DGADLP Fc1cccc(O[C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000183208906 432268208 /nfs/dbraw/zinc/26/82/08/432268208.db2.gz JSIJOUDOMJFPBN-QGZVFWFLSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000183208906 432268211 /nfs/dbraw/zinc/26/82/11/432268211.db2.gz JSIJOUDOMJFPBN-QGZVFWFLSA-N 2 2 311.360 3.127 20 0 DGADLP CC(=O)Nc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000271041979 432321279 /nfs/dbraw/zinc/32/12/79/432321279.db2.gz NKZOJZVJFRVZAJ-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@H]([NH2+]C1(CNCc2c[nH+]cn2C)CCCC1)c1ccccc1 ZINC000152355213 432327349 /nfs/dbraw/zinc/32/73/49/432327349.db2.gz DHZXBCFFXUJPBH-INIZCTEOSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nccn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248911966 432328684 /nfs/dbraw/zinc/32/86/84/432328684.db2.gz YKKWTSYKIIWHEN-SJLPKXTDSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248911966 432328690 /nfs/dbraw/zinc/32/86/90/432328690.db2.gz YKKWTSYKIIWHEN-SJLPKXTDSA-N 2 2 321.428 3.152 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000248997808 432333411 /nfs/dbraw/zinc/33/34/11/432333411.db2.gz PLCHKGJMCAVSKY-WBVHZDCISA-N 2 2 316.474 3.218 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000248997808 432333414 /nfs/dbraw/zinc/33/34/14/432333414.db2.gz PLCHKGJMCAVSKY-WBVHZDCISA-N 2 2 316.474 3.218 20 0 DGADLP Fc1cc([C@@H]2OCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC000192100756 432333664 /nfs/dbraw/zinc/33/36/64/432333664.db2.gz YRMDTCBUOIXEOE-HOTGVXAUSA-N 2 2 323.799 3.186 20 0 DGADLP c1cn(C2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c[nH+]1 ZINC000271187852 432347468 /nfs/dbraw/zinc/34/74/68/432347468.db2.gz KXASDPWEFGVJLP-HNNXBMFYSA-N 2 2 318.446 3.028 20 0 DGADLP CCn1nccc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271189671 432349218 /nfs/dbraw/zinc/34/92/18/432349218.db2.gz OWCGBQBPYNHCLN-MRXNPFEDSA-N 2 2 323.444 3.226 20 0 DGADLP CCn1nccc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271189671 432349224 /nfs/dbraw/zinc/34/92/24/432349224.db2.gz OWCGBQBPYNHCLN-MRXNPFEDSA-N 2 2 323.444 3.226 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000174514458 432353681 /nfs/dbraw/zinc/35/36/81/432353681.db2.gz OAHYERJVPHYDEK-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000174514458 432353686 /nfs/dbraw/zinc/35/36/86/432353686.db2.gz OAHYERJVPHYDEK-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839691 432308583 /nfs/dbraw/zinc/30/85/83/432308583.db2.gz WGCXBCRWSSLGEH-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839691 432308586 /nfs/dbraw/zinc/30/85/86/432308586.db2.gz WGCXBCRWSSLGEH-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP CCC[C@@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838115 432308817 /nfs/dbraw/zinc/30/88/17/432308817.db2.gz OQLMBHYGOMAENF-MOPGFXCFSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838115 432308820 /nfs/dbraw/zinc/30/88/20/432308820.db2.gz OQLMBHYGOMAENF-MOPGFXCFSA-N 2 2 304.478 3.446 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000270965988 432309091 /nfs/dbraw/zinc/30/90/91/432309091.db2.gz BTTPOKVRXPBQTM-MAUKXSAKSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000270965988 432309095 /nfs/dbraw/zinc/30/90/95/432309095.db2.gz BTTPOKVRXPBQTM-MAUKXSAKSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000270965988 432309098 /nfs/dbraw/zinc/30/90/98/432309098.db2.gz BTTPOKVRXPBQTM-MAUKXSAKSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000270965988 432309101 /nfs/dbraw/zinc/30/91/01/432309101.db2.gz BTTPOKVRXPBQTM-MAUKXSAKSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000270965996 432309134 /nfs/dbraw/zinc/30/91/34/432309134.db2.gz BTTPOKVRXPBQTM-YJBOKZPZSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000270965996 432309136 /nfs/dbraw/zinc/30/91/36/432309136.db2.gz BTTPOKVRXPBQTM-YJBOKZPZSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000270965996 432309138 /nfs/dbraw/zinc/30/91/38/432309138.db2.gz BTTPOKVRXPBQTM-YJBOKZPZSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000270965996 432309139 /nfs/dbraw/zinc/30/91/39/432309139.db2.gz BTTPOKVRXPBQTM-YJBOKZPZSA-N 2 2 312.461 3.195 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248720346 432313866 /nfs/dbraw/zinc/31/38/66/432313866.db2.gz CGLBTVPEFQKVOR-CRAIPNDOSA-N 2 2 324.428 3.032 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248720346 432313870 /nfs/dbraw/zinc/31/38/70/432313870.db2.gz CGLBTVPEFQKVOR-CRAIPNDOSA-N 2 2 324.428 3.032 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346918 432379135 /nfs/dbraw/zinc/37/91/35/432379135.db2.gz XXFGHBXSFQZWCK-CABCVRRESA-N 2 2 306.475 3.270 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346918 432379137 /nfs/dbraw/zinc/37/91/37/432379137.db2.gz XXFGHBXSFQZWCK-CABCVRRESA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346918 432379140 /nfs/dbraw/zinc/37/91/40/432379140.db2.gz XXFGHBXSFQZWCK-CABCVRRESA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346918 432379143 /nfs/dbraw/zinc/37/91/43/432379143.db2.gz XXFGHBXSFQZWCK-CABCVRRESA-N 2 2 306.475 3.270 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000192519624 432383602 /nfs/dbraw/zinc/38/36/02/432383602.db2.gz NOEMHRCMXDVWOW-UHOSZYNNSA-N 2 2 302.462 3.147 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000153134664 432386587 /nfs/dbraw/zinc/38/65/87/432386587.db2.gz XIQNKWLZXYLDTH-APWZRJJASA-N 2 2 320.477 3.094 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000261567484 432429527 /nfs/dbraw/zinc/42/95/27/432429527.db2.gz ZUVFEAFYBBCTNM-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000261567484 432429529 /nfs/dbraw/zinc/42/95/29/432429529.db2.gz ZUVFEAFYBBCTNM-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000261549543 432430674 /nfs/dbraw/zinc/43/06/74/432430674.db2.gz KOOXKGSFJRCQPM-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000261549543 432430678 /nfs/dbraw/zinc/43/06/78/432430678.db2.gz KOOXKGSFJRCQPM-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571428 432431405 /nfs/dbraw/zinc/43/14/05/432431405.db2.gz LBAZGUUMSOQRIE-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571428 432431410 /nfs/dbraw/zinc/43/14/10/432431410.db2.gz LBAZGUUMSOQRIE-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]12 ZINC000261601799 432432141 /nfs/dbraw/zinc/43/21/41/432432141.db2.gz BTXZTKUVWQTRIB-JTNHKYCSSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]12 ZINC000261601799 432432147 /nfs/dbraw/zinc/43/21/47/432432147.db2.gz BTXZTKUVWQTRIB-JTNHKYCSSA-N 2 2 302.315 3.014 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261585026 432433506 /nfs/dbraw/zinc/43/35/06/432433506.db2.gz SUDGKNBFPHYHJU-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261585026 432433509 /nfs/dbraw/zinc/43/35/09/432433509.db2.gz SUDGKNBFPHYHJU-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2C[NH2+]1 ZINC000261634549 432436809 /nfs/dbraw/zinc/43/68/09/432436809.db2.gz HQVSERRRBGOJGR-INIZCTEOSA-N 2 2 318.424 3.371 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261764210 432447698 /nfs/dbraw/zinc/44/76/98/432447698.db2.gz OEUYWYSHGKWFMQ-VQTJNVASSA-N 2 2 310.441 3.401 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261764210 432447702 /nfs/dbraw/zinc/44/77/02/432447702.db2.gz OEUYWYSHGKWFMQ-VQTJNVASSA-N 2 2 310.441 3.401 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1c1ccccc1 ZINC000261765349 432449008 /nfs/dbraw/zinc/44/90/08/432449008.db2.gz ROLZNQZGVILCEM-ZWKOTPCHSA-N 2 2 310.372 3.499 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1c1ccccc1 ZINC000261765349 432449014 /nfs/dbraw/zinc/44/90/14/432449014.db2.gz ROLZNQZGVILCEM-ZWKOTPCHSA-N 2 2 310.372 3.499 20 0 DGADLP c1cc(OCC2CC2)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261783885 432450065 /nfs/dbraw/zinc/45/00/65/432450065.db2.gz FPETVZRUBXMSSI-UHFFFAOYSA-N 2 2 314.473 3.439 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153885110 432452383 /nfs/dbraw/zinc/45/23/83/432452383.db2.gz UYXCSDLFSZGBDD-RVKKMQEKSA-N 2 2 317.477 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153885110 432452387 /nfs/dbraw/zinc/45/23/87/432452387.db2.gz UYXCSDLFSZGBDD-RVKKMQEKSA-N 2 2 317.477 3.221 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000261814066 432452473 /nfs/dbraw/zinc/45/24/73/432452473.db2.gz SSJOPIHNACQTGM-CQSZACIVSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000261814066 432452476 /nfs/dbraw/zinc/45/24/76/432452476.db2.gz SSJOPIHNACQTGM-CQSZACIVSA-N 2 2 304.768 3.112 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261835524 432454906 /nfs/dbraw/zinc/45/49/06/432454906.db2.gz YATLTGCFYQDMMD-KZNAEPCWSA-N 2 2 314.477 3.405 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000272178163 432457946 /nfs/dbraw/zinc/45/79/46/432457946.db2.gz FGQJPTPLLXPQCE-UKRRQHHQSA-N 2 2 316.474 3.457 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@H]1[NH3+] ZINC000262068656 432472056 /nfs/dbraw/zinc/47/20/56/432472056.db2.gz RUTHWZCBYBKECB-XHDPSFHLSA-N 2 2 306.356 3.220 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@H]1[NH3+] ZINC000262068656 432472060 /nfs/dbraw/zinc/47/20/60/432472060.db2.gz RUTHWZCBYBKECB-XHDPSFHLSA-N 2 2 306.356 3.220 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272259817 432472198 /nfs/dbraw/zinc/47/21/98/432472198.db2.gz ZWKMNPRFGAFIEN-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259817 432472201 /nfs/dbraw/zinc/47/22/01/432472201.db2.gz ZWKMNPRFGAFIEN-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272259819 432472408 /nfs/dbraw/zinc/47/24/08/432472408.db2.gz ZWKMNPRFGAFIEN-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259819 432472412 /nfs/dbraw/zinc/47/24/12/432472412.db2.gz ZWKMNPRFGAFIEN-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185158746 432472997 /nfs/dbraw/zinc/47/29/97/432472997.db2.gz FHQGOEXVIPLUJQ-UHFFFAOYSA-N 3 2 314.477 3.469 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cn2ccccc2n1 ZINC000185159626 432473328 /nfs/dbraw/zinc/47/33/28/432473328.db2.gz FTNCVCHQABWDRR-UHFFFAOYSA-N 2 2 314.477 3.469 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCO[C@H]3CC(C)C)n2c1 ZINC000185195033 432475857 /nfs/dbraw/zinc/47/58/57/432475857.db2.gz BKBGVVBKFXXTHA-IRXDYDNUSA-N 2 2 301.434 3.326 20 0 DGADLP c1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508519 432477574 /nfs/dbraw/zinc/47/75/74/432477574.db2.gz FFSXTXGWUZNTPE-OXJNMPFZSA-N 2 2 307.441 3.245 20 0 DGADLP c1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508519 432477579 /nfs/dbraw/zinc/47/75/79/432477579.db2.gz FFSXTXGWUZNTPE-OXJNMPFZSA-N 2 2 307.441 3.245 20 0 DGADLP Clc1ccc2[nH+]c(CN3CC[NH2+]CC34CCCCC4)cn2c1 ZINC000262311146 432481711 /nfs/dbraw/zinc/48/17/11/432481711.db2.gz PUVJQTSJLQUGPC-UHFFFAOYSA-N 2 2 318.852 3.096 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C2CCCCC2)cc1 ZINC000154317054 432488930 /nfs/dbraw/zinc/48/89/30/432488930.db2.gz AKXWJPJZHJDKFY-HNAYVOBHSA-N 2 2 304.478 3.307 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315506 432489721 /nfs/dbraw/zinc/48/97/21/432489721.db2.gz XLGXKHASMONYAY-BXWFABGCSA-N 2 2 312.461 3.074 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315506 432489723 /nfs/dbraw/zinc/48/97/23/432489723.db2.gz XLGXKHASMONYAY-BXWFABGCSA-N 2 2 312.461 3.074 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000262522403 432490368 /nfs/dbraw/zinc/49/03/68/432490368.db2.gz OHZLHRLYKLRYAQ-KGLIPLIRSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000262522403 432490370 /nfs/dbraw/zinc/49/03/70/432490370.db2.gz OHZLHRLYKLRYAQ-KGLIPLIRSA-N 2 2 315.848 3.238 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)c3coc(C[NH3+])c3)cc2[nH+]1 ZINC000262817479 432504034 /nfs/dbraw/zinc/50/40/34/432504034.db2.gz XGEVZFWPOSQSRA-UHFFFAOYSA-N 2 2 312.373 3.210 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000261936190 432462484 /nfs/dbraw/zinc/46/24/84/432462484.db2.gz KLMHPBNFCXFPIS-CQSZACIVSA-N 2 2 320.824 3.093 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000261936190 432462488 /nfs/dbraw/zinc/46/24/88/432462488.db2.gz KLMHPBNFCXFPIS-CQSZACIVSA-N 2 2 320.824 3.093 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000261958823 432462959 /nfs/dbraw/zinc/46/29/59/432462959.db2.gz MGUNBOUZAJNCJN-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000261958823 432462963 /nfs/dbraw/zinc/46/29/63/432462963.db2.gz MGUNBOUZAJNCJN-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP CC[N@H+](Cc1cc(C(=O)OC)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000262029303 432469353 /nfs/dbraw/zinc/46/93/53/432469353.db2.gz WXVCSISMGWGNRJ-HNNXBMFYSA-N 2 2 324.852 3.091 20 0 DGADLP CC[N@@H+](Cc1cc(C(=O)OC)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000262029303 432469356 /nfs/dbraw/zinc/46/93/56/432469356.db2.gz WXVCSISMGWGNRJ-HNNXBMFYSA-N 2 2 324.852 3.091 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CCCC1 ZINC000194417000 432549319 /nfs/dbraw/zinc/54/93/19/432549319.db2.gz GAFIGYRFCNERCD-UHFFFAOYSA-N 2 2 312.461 3.288 20 0 DGADLP Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)[nH+]1 ZINC000176778354 432552234 /nfs/dbraw/zinc/55/22/34/432552234.db2.gz MXQZNULCVVHALX-UHFFFAOYSA-N 2 2 304.438 3.129 20 0 DGADLP CCc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000273143893 432557167 /nfs/dbraw/zinc/55/71/67/432557167.db2.gz KRPPNWWLCGUSDJ-LBPRGKRZSA-N 2 2 313.430 3.137 20 0 DGADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422962772 281826653 /nfs/dbraw/zinc/82/66/53/281826653.db2.gz DETSPJJSBRACLJ-PXNSSMCTSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCC(C)CC1 ZINC000194008706 432517323 /nfs/dbraw/zinc/51/73/23/432517323.db2.gz HSWZMNRWPCTEJS-BSDSXHPESA-N 2 2 306.494 3.044 20 0 DGADLP COC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000155100506 432539183 /nfs/dbraw/zinc/53/91/83/432539183.db2.gz UYCRNHNVJIJOAC-HJZRJOMTSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000155100506 432539186 /nfs/dbraw/zinc/53/91/86/432539186.db2.gz UYCRNHNVJIJOAC-HJZRJOMTSA-N 2 2 302.462 3.054 20 0 DGADLP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000194356012 432544448 /nfs/dbraw/zinc/54/44/48/432544448.db2.gz VCAARDSZXSTZBZ-VQIMIIECSA-N 2 2 310.445 3.126 20 0 DGADLP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000194356012 432544453 /nfs/dbraw/zinc/54/44/53/432544453.db2.gz VCAARDSZXSTZBZ-VQIMIIECSA-N 2 2 310.445 3.126 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000186573572 432609036 /nfs/dbraw/zinc/60/90/36/432609036.db2.gz KHEUYPWTERRJMO-SXLOBPIMSA-N 2 2 317.521 3.215 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000186573572 432609037 /nfs/dbraw/zinc/60/90/37/432609037.db2.gz KHEUYPWTERRJMO-SXLOBPIMSA-N 2 2 317.521 3.215 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273569468 432613123 /nfs/dbraw/zinc/61/31/23/432613123.db2.gz XWKKQOYKRMKCPM-ZWKOTPCHSA-N 2 2 317.408 3.264 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273569468 432613126 /nfs/dbraw/zinc/61/31/26/432613126.db2.gz XWKKQOYKRMKCPM-ZWKOTPCHSA-N 2 2 317.408 3.264 20 0 DGADLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1Cl ZINC000194677824 432567953 /nfs/dbraw/zinc/56/79/53/432567953.db2.gz BTJQMMLRMSEYTC-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP CCCOc1cccc2c(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc[nH+]c12 ZINC000194749189 432573172 /nfs/dbraw/zinc/57/31/72/432573172.db2.gz KNNIJIVHKUHCGG-GASCZTMLSA-N 2 2 311.429 3.021 20 0 DGADLP CCCOc1cccc2c(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc[nH+]c12 ZINC000194749189 432573177 /nfs/dbraw/zinc/57/31/77/432573177.db2.gz KNNIJIVHKUHCGG-GASCZTMLSA-N 2 2 311.429 3.021 20 0 DGADLP c1coc([C@@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCCC2)c1 ZINC000263757344 432575013 /nfs/dbraw/zinc/57/50/13/432575013.db2.gz HQGAFTLSGFZTTD-CQSZACIVSA-N 2 2 311.389 3.190 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccc(F)c(F)c1 ZINC000177014290 432575493 /nfs/dbraw/zinc/57/54/93/432575493.db2.gz IDLKQIINTFYYJA-UHFFFAOYSA-N 2 2 314.339 3.178 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccc(F)c(F)c1 ZINC000177014290 432575495 /nfs/dbraw/zinc/57/54/95/432575495.db2.gz IDLKQIINTFYYJA-UHFFFAOYSA-N 2 2 314.339 3.178 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396901 432590640 /nfs/dbraw/zinc/59/06/40/432590640.db2.gz UMQONUUTYKARMM-CJNGLKHVSA-N 2 2 316.445 3.047 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396901 432590643 /nfs/dbraw/zinc/59/06/43/432590643.db2.gz UMQONUUTYKARMM-CJNGLKHVSA-N 2 2 316.445 3.047 20 0 DGADLP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177149197 432590884 /nfs/dbraw/zinc/59/08/84/432590884.db2.gz JTZMQHVKKDDNQZ-OAHLLOKOSA-N 2 2 304.397 3.387 20 0 DGADLP Cc1ccccc1OCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177238014 432603281 /nfs/dbraw/zinc/60/32/81/432603281.db2.gz FVGDXGYWMIEWJW-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1ccccc1OCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177238014 432603282 /nfs/dbraw/zinc/60/32/82/432603282.db2.gz FVGDXGYWMIEWJW-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1C ZINC000264360015 432638338 /nfs/dbraw/zinc/63/83/38/432638338.db2.gz HPYRESKRABXIKE-UHFFFAOYSA-N 2 2 323.444 3.054 20 0 DGADLP COc1cc[nH+]c(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000274222702 432640053 /nfs/dbraw/zinc/64/00/53/432640053.db2.gz ZGQCYZQOSVZQFP-AWEZNQCLSA-N 2 2 317.458 3.031 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000274233349 432641212 /nfs/dbraw/zinc/64/12/12/432641212.db2.gz PROJZVMWRQARRU-NEPJUHHUSA-N 2 2 313.430 3.444 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158609760 432651087 /nfs/dbraw/zinc/65/10/87/432651087.db2.gz PHULWXNSTOOVNI-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158609760 432651090 /nfs/dbraw/zinc/65/10/90/432651090.db2.gz PHULWXNSTOOVNI-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158609760 432651093 /nfs/dbraw/zinc/65/10/93/432651093.db2.gz PHULWXNSTOOVNI-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158609760 432651096 /nfs/dbraw/zinc/65/10/96/432651096.db2.gz PHULWXNSTOOVNI-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000218069340 432658446 /nfs/dbraw/zinc/65/84/46/432658446.db2.gz LSBRFJNLXYGHCW-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000218069340 432658450 /nfs/dbraw/zinc/65/84/50/432658450.db2.gz LSBRFJNLXYGHCW-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP CCCCc1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158985136 432665065 /nfs/dbraw/zinc/66/50/65/432665065.db2.gz AVNXWFWOLCZAIG-GDBMZVCRSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158985136 432665066 /nfs/dbraw/zinc/66/50/66/432665066.db2.gz AVNXWFWOLCZAIG-GDBMZVCRSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000158985136 432665067 /nfs/dbraw/zinc/66/50/67/432665067.db2.gz AVNXWFWOLCZAIG-GDBMZVCRSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000158985136 432665070 /nfs/dbraw/zinc/66/50/70/432665070.db2.gz AVNXWFWOLCZAIG-GDBMZVCRSA-N 2 2 307.507 3.402 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](CC)CC ZINC000265479913 432704771 /nfs/dbraw/zinc/70/47/71/432704771.db2.gz UUDAMNCLFXUQLM-HNNXBMFYSA-N 2 2 318.396 3.070 20 0 DGADLP c1ccc(CC2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000274774025 432706129 /nfs/dbraw/zinc/70/61/29/432706129.db2.gz NMKUHZNXGIEURE-UHFFFAOYSA-N 2 2 307.441 3.415 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226418940 432706633 /nfs/dbraw/zinc/70/66/33/432706633.db2.gz SIKXMKSDAAJGJI-JTQLQIEISA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226418940 432706637 /nfs/dbraw/zinc/70/66/37/432706637.db2.gz SIKXMKSDAAJGJI-JTQLQIEISA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000188146780 432707466 /nfs/dbraw/zinc/70/74/66/432707466.db2.gz DOSISSGXSRUBIV-WFASDCNBSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000188146780 432707469 /nfs/dbraw/zinc/70/74/69/432707469.db2.gz DOSISSGXSRUBIV-WFASDCNBSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccsc1 ZINC000178234825 432710795 /nfs/dbraw/zinc/71/07/95/432710795.db2.gz YEWWCDXXLKLQHG-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912981 432716579 /nfs/dbraw/zinc/71/65/79/432716579.db2.gz PXVHSBXMGQUACD-YUMQZZPRSA-N 2 2 323.687 3.333 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912981 432716583 /nfs/dbraw/zinc/71/65/83/432716583.db2.gz PXVHSBXMGQUACD-YUMQZZPRSA-N 2 2 323.687 3.333 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)cn1 ZINC000274871368 432718030 /nfs/dbraw/zinc/71/80/30/432718030.db2.gz FRXQWZRCGNJAJP-GFCCVEGCSA-N 2 2 300.793 3.276 20 0 DGADLP CCn1nc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000274465497 432670527 /nfs/dbraw/zinc/67/05/27/432670527.db2.gz UGHOTPPNAXWBKO-UHFFFAOYSA-N 2 2 314.477 3.455 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000236711065 432759444 /nfs/dbraw/zinc/75/94/44/432759444.db2.gz NLUBMVTXBZZFGR-IBGZPJMESA-N 2 2 313.489 3.145 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cccc2c1OCCO2)C1CCCCC1 ZINC000237083922 432778231 /nfs/dbraw/zinc/77/82/31/432778231.db2.gz NXPQQSOCAJGRSI-UHFFFAOYSA-N 2 2 318.461 3.202 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cccc2c1OCCO2)C1CCCCC1 ZINC000237083922 432778237 /nfs/dbraw/zinc/77/82/37/432778237.db2.gz NXPQQSOCAJGRSI-UHFFFAOYSA-N 2 2 318.461 3.202 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCS2 ZINC000276168932 432778623 /nfs/dbraw/zinc/77/86/23/432778623.db2.gz SDAROMPSLPBCHP-WFASDCNBSA-N 2 2 303.431 3.107 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237184604 432779352 /nfs/dbraw/zinc/77/93/52/432779352.db2.gz JRWLVMYHLPTBMV-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237184604 432779356 /nfs/dbraw/zinc/77/93/56/432779356.db2.gz JRWLVMYHLPTBMV-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+](Cc1csc(-c2ccsc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231461055 432733336 /nfs/dbraw/zinc/73/33/36/432733336.db2.gz OBDKBUDRAQJXGQ-CQSZACIVSA-N 2 2 307.488 3.446 20 0 DGADLP C[N@@H+](Cc1csc(-c2ccsc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231461055 432733339 /nfs/dbraw/zinc/73/33/39/432733339.db2.gz OBDKBUDRAQJXGQ-CQSZACIVSA-N 2 2 307.488 3.446 20 0 DGADLP COc1cccc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+](C)C)c1 ZINC000267166841 432819604 /nfs/dbraw/zinc/81/96/04/432819604.db2.gz BEKRCXDWOWEYFE-LJQANCHMSA-N 2 2 322.412 3.353 20 0 DGADLP CN(CC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH+]c(C2CC2)n1 ZINC000162301673 432820469 /nfs/dbraw/zinc/82/04/69/432820469.db2.gz VUJHALDZYYEAAK-UHFFFAOYSA-N 2 2 323.444 3.102 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000276802102 432826150 /nfs/dbraw/zinc/82/61/50/432826150.db2.gz MKXUFLVKUBSQGT-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000276802102 432826152 /nfs/dbraw/zinc/82/61/52/432826152.db2.gz MKXUFLVKUBSQGT-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267282143 432828730 /nfs/dbraw/zinc/82/87/30/432828730.db2.gz OZPLMJFQOCVSBK-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267282143 432828734 /nfs/dbraw/zinc/82/87/34/432828734.db2.gz OZPLMJFQOCVSBK-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cncc(F)c1 ZINC000162753804 432833703 /nfs/dbraw/zinc/83/37/03/432833703.db2.gz BHTRVKKXOLHJBD-HNNXBMFYSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cncc(F)c1 ZINC000162753804 432833707 /nfs/dbraw/zinc/83/37/07/432833707.db2.gz BHTRVKKXOLHJBD-HNNXBMFYSA-N 2 2 301.409 3.393 20 0 DGADLP C[N@H+](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)Cc1ccccc1 ZINC000162854647 432836432 /nfs/dbraw/zinc/83/64/32/432836432.db2.gz IQLHENAVXISMEW-UHFFFAOYSA-N 2 2 320.396 3.147 20 0 DGADLP C[N@@H+](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)Cc1ccccc1 ZINC000162854647 432836433 /nfs/dbraw/zinc/83/64/33/432836433.db2.gz IQLHENAVXISMEW-UHFFFAOYSA-N 2 2 320.396 3.147 20 0 DGADLP CCCCc1noc([C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000266766651 432784835 /nfs/dbraw/zinc/78/48/35/432784835.db2.gz RKSSNBMVKNYEET-LBPRGKRZSA-N 2 2 303.410 3.076 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)[nH]1 ZINC000266753613 432785528 /nfs/dbraw/zinc/78/55/28/432785528.db2.gz OOLMIUBDJQHIKF-UHFFFAOYSA-N 2 2 308.385 3.444 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276268468 432790239 /nfs/dbraw/zinc/79/02/39/432790239.db2.gz CHTRJXQYKLQCMR-IBGZPJMESA-N 2 2 311.429 3.244 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276268468 432790243 /nfs/dbraw/zinc/79/02/43/432790243.db2.gz CHTRJXQYKLQCMR-IBGZPJMESA-N 2 2 311.429 3.244 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000268025715 432838418 /nfs/dbraw/zinc/83/84/18/432838418.db2.gz JCPIYUPOHHEWDV-UKRRQHHQSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000268025715 432838420 /nfs/dbraw/zinc/83/84/20/432838420.db2.gz JCPIYUPOHHEWDV-UKRRQHHQSA-N 2 2 300.368 3.439 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161863643 432801780 /nfs/dbraw/zinc/80/17/80/432801780.db2.gz CHZZJILFUBHPIS-UHFFFAOYSA-N 3 2 315.505 3.069 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC000276377342 432802619 /nfs/dbraw/zinc/80/26/19/432802619.db2.gz POBQKDHIUSPHRL-MRXNPFEDSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC000276377342 432802623 /nfs/dbraw/zinc/80/26/23/432802623.db2.gz POBQKDHIUSPHRL-MRXNPFEDSA-N 2 2 305.441 3.165 20 0 DGADLP [NH3+][C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccccc1 ZINC000237866960 432802697 /nfs/dbraw/zinc/80/26/97/432802697.db2.gz FQNYSABMFBECRK-QGZVFWFLSA-N 2 2 320.396 3.469 20 0 DGADLP [NH3+]C1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCCC1 ZINC000237971070 432807458 /nfs/dbraw/zinc/80/74/58/432807458.db2.gz JUXMCCFUYMGBDF-UHFFFAOYSA-N 2 2 311.385 3.474 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000276505078 432813621 /nfs/dbraw/zinc/81/36/21/432813621.db2.gz YNRYGTHHJVNLGI-JTQLQIEISA-N 2 2 310.195 3.145 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000276505078 432813626 /nfs/dbraw/zinc/81/36/26/432813626.db2.gz YNRYGTHHJVNLGI-JTQLQIEISA-N 2 2 310.195 3.145 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277577850 432862289 /nfs/dbraw/zinc/86/22/89/432862289.db2.gz SZSDTKFXWBLXAW-INIZCTEOSA-N 2 2 314.477 3.362 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277577850 432862292 /nfs/dbraw/zinc/86/22/92/432862292.db2.gz SZSDTKFXWBLXAW-INIZCTEOSA-N 2 2 314.477 3.362 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000245900410 432868115 /nfs/dbraw/zinc/86/81/15/432868115.db2.gz NUIBNDWITWHCLR-NXWXRZEISA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000245900410 432868118 /nfs/dbraw/zinc/86/81/18/432868118.db2.gz NUIBNDWITWHCLR-NXWXRZEISA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245983053 432874270 /nfs/dbraw/zinc/87/42/70/432874270.db2.gz PQPSQWSJFJZXSV-IXDOHACOSA-N 2 2 306.498 3.008 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245983053 432874271 /nfs/dbraw/zinc/87/42/71/432874271.db2.gz PQPSQWSJFJZXSV-IXDOHACOSA-N 2 2 306.498 3.008 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000245578569 432846024 /nfs/dbraw/zinc/84/60/24/432846024.db2.gz BRFNGFIETLRBCP-WMLDXEAASA-N 2 2 319.474 3.495 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000245578569 432846027 /nfs/dbraw/zinc/84/60/27/432846027.db2.gz BRFNGFIETLRBCP-WMLDXEAASA-N 2 2 319.474 3.495 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000163207825 432846949 /nfs/dbraw/zinc/84/69/49/432846949.db2.gz WHGSVIFSAZFEAP-UHFFFAOYSA-N 2 2 318.368 3.189 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000163207825 432846951 /nfs/dbraw/zinc/84/69/51/432846951.db2.gz WHGSVIFSAZFEAP-UHFFFAOYSA-N 2 2 318.368 3.189 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000163266070 432848572 /nfs/dbraw/zinc/84/85/72/432848572.db2.gz GZYVFWJTQKGGMV-DOTOQJQBSA-N 3 2 312.461 3.173 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000163266070 432848575 /nfs/dbraw/zinc/84/85/75/432848575.db2.gz GZYVFWJTQKGGMV-DOTOQJQBSA-N 3 2 312.461 3.173 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597943 432848834 /nfs/dbraw/zinc/84/88/34/432848834.db2.gz HYOXQDVLBRLHCR-CABCVRRESA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597943 432848837 /nfs/dbraw/zinc/84/88/37/432848837.db2.gz HYOXQDVLBRLHCR-CABCVRRESA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597943 432848838 /nfs/dbraw/zinc/84/88/38/432848838.db2.gz HYOXQDVLBRLHCR-CABCVRRESA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597943 432848841 /nfs/dbraw/zinc/84/88/41/432848841.db2.gz HYOXQDVLBRLHCR-CABCVRRESA-N 2 2 322.449 3.099 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000245610886 432849749 /nfs/dbraw/zinc/84/97/49/432849749.db2.gz VHSZFNQLRNWSGX-OXJNMPFZSA-N 2 2 324.472 3.470 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000245610886 432849751 /nfs/dbraw/zinc/84/97/51/432849751.db2.gz VHSZFNQLRNWSGX-OXJNMPFZSA-N 2 2 324.472 3.470 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000245726262 432858973 /nfs/dbraw/zinc/85/89/73/432858973.db2.gz ADZPJUZMEXEOBS-KBAYOESNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000245726262 432858975 /nfs/dbraw/zinc/85/89/75/432858975.db2.gz ADZPJUZMEXEOBS-KBAYOESNSA-N 2 2 302.462 3.054 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000277535801 432859152 /nfs/dbraw/zinc/85/91/52/432859152.db2.gz QBCDNKKHRNERBG-CYBMUJFWSA-N 2 2 316.367 3.343 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000277535801 432859154 /nfs/dbraw/zinc/85/91/54/432859154.db2.gz QBCDNKKHRNERBG-CYBMUJFWSA-N 2 2 316.367 3.343 20 0 DGADLP C[C@H](O)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000279148179 432939518 /nfs/dbraw/zinc/93/95/18/432939518.db2.gz SNRFTZQKQIYOLB-AWEZNQCLSA-N 2 2 310.869 3.055 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000289338206 432945723 /nfs/dbraw/zinc/94/57/23/432945723.db2.gz VUVDZKBVYCMZTC-UHFFFAOYSA-N 3 2 321.428 3.002 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000296487936 432914095 /nfs/dbraw/zinc/91/40/95/432914095.db2.gz PMSJKNDUFSSHCZ-QZTJIDSGSA-N 2 2 324.472 3.218 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000296487936 432914098 /nfs/dbraw/zinc/91/40/98/432914098.db2.gz PMSJKNDUFSSHCZ-QZTJIDSGSA-N 2 2 324.472 3.218 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000296487933 432914380 /nfs/dbraw/zinc/91/43/80/432914380.db2.gz PMSJKNDUFSSHCZ-MSOLQXFVSA-N 2 2 324.472 3.218 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000296487933 432914382 /nfs/dbraw/zinc/91/43/82/432914382.db2.gz PMSJKNDUFSSHCZ-MSOLQXFVSA-N 2 2 324.472 3.218 20 0 DGADLP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000278967353 432922010 /nfs/dbraw/zinc/92/20/10/432922010.db2.gz PSDYLTMVQXPAPK-INIZCTEOSA-N 2 2 307.825 3.246 20 0 DGADLP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000278967353 432922013 /nfs/dbraw/zinc/92/20/13/432922013.db2.gz PSDYLTMVQXPAPK-INIZCTEOSA-N 2 2 307.825 3.246 20 0 DGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1C ZINC000341142030 432973741 /nfs/dbraw/zinc/97/37/41/432973741.db2.gz WEHCOBYFFADSMR-UHFFFAOYSA-N 2 2 312.461 3.004 20 0 DGADLP Cc1c[nH+]c(CNCc2ccccc2C[NH+]2CCCCC2)n1C ZINC000341142030 432973744 /nfs/dbraw/zinc/97/37/44/432973744.db2.gz WEHCOBYFFADSMR-UHFFFAOYSA-N 2 2 312.461 3.004 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000289726343 432973856 /nfs/dbraw/zinc/97/38/56/432973856.db2.gz XLUPCPWQFDMOEY-MOPGFXCFSA-N 2 2 323.440 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000289726343 432973860 /nfs/dbraw/zinc/97/38/60/432973860.db2.gz XLUPCPWQFDMOEY-MOPGFXCFSA-N 2 2 323.440 3.406 20 0 DGADLP Cc1c[nH+]c(CNCc2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000341138314 432974252 /nfs/dbraw/zinc/97/42/52/432974252.db2.gz SCZVQEVEVDYZKN-UHFFFAOYSA-N 2 2 312.461 3.004 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000289873860 432976444 /nfs/dbraw/zinc/97/64/44/432976444.db2.gz WJINXUZJGVLTLZ-SFHVURJKSA-N 2 2 318.848 3.473 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000279544552 432981153 /nfs/dbraw/zinc/98/11/53/432981153.db2.gz ATCJZPVMMIJUIP-UHFFFAOYSA-N 2 2 312.461 3.143 20 0 DGADLP COCC(C)(C)CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000290135488 432997555 /nfs/dbraw/zinc/99/75/55/432997555.db2.gz NHUJWFXDMOXDDW-UHFFFAOYSA-N 2 2 301.434 3.415 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000332345265 433000134 /nfs/dbraw/zinc/00/01/34/433000134.db2.gz RPJJVMRNGPETRA-AWEZNQCLSA-N 2 2 314.433 3.362 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000332345265 433000137 /nfs/dbraw/zinc/00/01/37/433000137.db2.gz RPJJVMRNGPETRA-AWEZNQCLSA-N 2 2 314.433 3.362 20 0 DGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000297681397 433006835 /nfs/dbraw/zinc/00/68/35/433006835.db2.gz PGNPPGKXUNMFAY-CRAIPNDOSA-N 2 2 313.445 3.444 20 0 DGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000297681397 433006840 /nfs/dbraw/zinc/00/68/40/433006840.db2.gz PGNPPGKXUNMFAY-CRAIPNDOSA-N 2 2 313.445 3.444 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718639 433009871 /nfs/dbraw/zinc/00/98/71/433009871.db2.gz RQYWHRNDACDCSA-WCQYABFASA-N 2 2 324.852 3.159 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718639 433009874 /nfs/dbraw/zinc/00/98/74/433009874.db2.gz RQYWHRNDACDCSA-WCQYABFASA-N 2 2 324.852 3.159 20 0 DGADLP CC[N@H+](CCC(=O)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000290215318 433015020 /nfs/dbraw/zinc/01/50/20/433015020.db2.gz HPHDSKVSRMVXFZ-UHFFFAOYSA-N 2 2 317.477 3.235 20 0 DGADLP CC[N@@H+](CCC(=O)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000290215318 433015023 /nfs/dbraw/zinc/01/50/23/433015023.db2.gz HPHDSKVSRMVXFZ-UHFFFAOYSA-N 2 2 317.477 3.235 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250254 433019872 /nfs/dbraw/zinc/01/98/72/433019872.db2.gz UENNFNDQIBBYMU-QWFCFKBJSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250254 433019877 /nfs/dbraw/zinc/01/98/77/433019877.db2.gz UENNFNDQIBBYMU-QWFCFKBJSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250254 433019882 /nfs/dbraw/zinc/01/98/82/433019882.db2.gz UENNFNDQIBBYMU-QWFCFKBJSA-N 3 2 317.521 3.215 20 0 DGADLP CSC1(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCC1 ZINC000290325865 433032086 /nfs/dbraw/zinc/03/20/86/433032086.db2.gz ALDBHKQYXXMLNO-UHFFFAOYSA-N 2 2 301.459 3.307 20 0 DGADLP Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(C2CCCCC2)n1 ZINC000290331622 433035115 /nfs/dbraw/zinc/03/51/15/433035115.db2.gz DUPBRYGTTZLVAH-UHFFFAOYSA-N 2 2 315.465 3.186 20 0 DGADLP Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C2CCCCC2)n1 ZINC000290331622 433035120 /nfs/dbraw/zinc/03/51/20/433035120.db2.gz DUPBRYGTTZLVAH-UHFFFAOYSA-N 2 2 315.465 3.186 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC000290353476 433035942 /nfs/dbraw/zinc/03/59/42/433035942.db2.gz QHSPJRCZWPSHSI-GOSISDBHSA-N 2 2 322.880 3.492 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2cc3ccccc3s2)n1C ZINC000419745878 433068775 /nfs/dbraw/zinc/06/87/75/433068775.db2.gz KWIQVPULWGQWFF-UHFFFAOYSA-N 2 2 314.458 3.033 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297678 433070739 /nfs/dbraw/zinc/07/07/39/433070739.db2.gz VHFIXUUBTUDYFG-KBXCAEBGSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297678 433070745 /nfs/dbraw/zinc/07/07/45/433070745.db2.gz VHFIXUUBTUDYFG-KBXCAEBGSA-N 2 2 322.880 3.154 20 0 DGADLP COC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000446745652 433099256 /nfs/dbraw/zinc/09/92/56/433099256.db2.gz SPEKQXXFSWQKRO-LJQANCHMSA-N 2 2 313.445 3.226 20 0 DGADLP COc1cccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000290523487 433081244 /nfs/dbraw/zinc/08/12/44/433081244.db2.gz QFMNPLKDJSCDNN-UHFFFAOYSA-N 2 2 314.429 3.385 20 0 DGADLP COc1cccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000290523487 433081257 /nfs/dbraw/zinc/08/12/57/433081257.db2.gz QFMNPLKDJSCDNN-UHFFFAOYSA-N 2 2 314.429 3.385 20 0 DGADLP Cc1cc(N2CC[NH+](CCC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000341474991 433083611 /nfs/dbraw/zinc/08/36/11/433083611.db2.gz FAGPRUOGZDECRK-UHFFFAOYSA-N 2 2 302.466 3.221 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000290544667 433087565 /nfs/dbraw/zinc/08/75/65/433087565.db2.gz YUZTYAIGRVVSEO-YLJYHZDGSA-N 2 2 312.457 3.467 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+]CCCc2ccc(C)[nH+]c2)cs1 ZINC000354457907 433096803 /nfs/dbraw/zinc/09/68/03/433096803.db2.gz IFLMOSKESNIMJC-CYBMUJFWSA-N 2 2 305.447 3.276 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000290655727 433130535 /nfs/dbraw/zinc/13/05/35/433130535.db2.gz KJSCEGDYVLHNHR-MISYRCLQSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000290655727 433130545 /nfs/dbraw/zinc/13/05/45/433130545.db2.gz KJSCEGDYVLHNHR-MISYRCLQSA-N 2 2 324.472 3.108 20 0 DGADLP CC[C@H](O)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000361366038 433135673 /nfs/dbraw/zinc/13/56/73/433135673.db2.gz NPJBVOMMYBPBFL-SFHVURJKSA-N 2 2 324.896 3.445 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388649 433145538 /nfs/dbraw/zinc/14/55/38/433145538.db2.gz BVKPZIMKIRJJPP-HKUYNNGSSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388649 433145549 /nfs/dbraw/zinc/14/55/49/433145549.db2.gz BVKPZIMKIRJJPP-HKUYNNGSSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453388649 433145555 /nfs/dbraw/zinc/14/55/55/433145555.db2.gz BVKPZIMKIRJJPP-HKUYNNGSSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388649 433145564 /nfs/dbraw/zinc/14/55/64/433145564.db2.gz BVKPZIMKIRJJPP-HKUYNNGSSA-N 3 2 315.505 3.286 20 0 DGADLP CCOC(=O)c1oc2ccccc2c1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420296385 433149386 /nfs/dbraw/zinc/14/93/86/433149386.db2.gz BSEVKJSTXINLPD-GOSISDBHSA-N 2 2 318.417 3.073 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2nc(-c3ccccc3Cl)cs2)CCC1 ZINC000420307401 433151999 /nfs/dbraw/zinc/15/19/99/433151999.db2.gz MDUPNYFXMJIUDZ-UHFFFAOYSA-N 2 2 307.850 3.435 20 0 DGADLP Cc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000341507680 433103916 /nfs/dbraw/zinc/10/39/16/433103916.db2.gz VNYYPKSKIXZMLP-GOSISDBHSA-N 2 2 322.456 3.911 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583803 433105250 /nfs/dbraw/zinc/10/52/50/433105250.db2.gz UTFUIUANGDFGBW-WBMJQRKESA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583803 433105260 /nfs/dbraw/zinc/10/52/60/433105260.db2.gz UTFUIUANGDFGBW-WBMJQRKESA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583803 433105265 /nfs/dbraw/zinc/10/52/65/433105265.db2.gz UTFUIUANGDFGBW-WBMJQRKESA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583803 433105275 /nfs/dbraw/zinc/10/52/75/433105275.db2.gz UTFUIUANGDFGBW-WBMJQRKESA-N 2 2 308.853 3.047 20 0 DGADLP Cc1cc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341525556 433112118 /nfs/dbraw/zinc/11/21/18/433112118.db2.gz YROINZKKKUCKBM-UGSOOPFHSA-N 2 2 302.466 3.585 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000290605202 433112371 /nfs/dbraw/zinc/11/23/71/433112371.db2.gz WEQNJCOQVQRPSH-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290605202 433112382 /nfs/dbraw/zinc/11/23/82/433112382.db2.gz WEQNJCOQVQRPSH-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000290605202 433112394 /nfs/dbraw/zinc/11/23/94/433112394.db2.gz WEQNJCOQVQRPSH-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000290605202 433112405 /nfs/dbraw/zinc/11/24/05/433112405.db2.gz WEQNJCOQVQRPSH-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000361340180 433116657 /nfs/dbraw/zinc/11/66/57/433116657.db2.gz ASBMVGHXZUWLSV-UHFFFAOYSA-N 2 2 321.428 3.280 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1 ZINC000420316861 433161089 /nfs/dbraw/zinc/16/10/89/433161089.db2.gz NWIFERCMEKNGIZ-WBVHZDCISA-N 2 2 313.445 3.146 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1 ZINC000420316861 433161099 /nfs/dbraw/zinc/16/10/99/433161099.db2.gz NWIFERCMEKNGIZ-WBVHZDCISA-N 2 2 313.445 3.146 20 0 DGADLP Cc1ccccc1C[NH+]1CCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000425321401 433161804 /nfs/dbraw/zinc/16/18/04/433161804.db2.gz HCFQBTCWRXADOY-UHFFFAOYSA-N 2 2 312.461 3.090 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000361425384 433165742 /nfs/dbraw/zinc/16/57/42/433165742.db2.gz FLUARMYAUWOZEC-LLVKDONJSA-N 2 2 314.342 3.428 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335610 433171527 /nfs/dbraw/zinc/17/15/27/433171527.db2.gz IYBLQNLYWJOKPZ-CXAGYDPISA-N 2 2 316.424 3.208 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335610 433171534 /nfs/dbraw/zinc/17/15/34/433171534.db2.gz IYBLQNLYWJOKPZ-CXAGYDPISA-N 2 2 316.424 3.208 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000336659920 433173221 /nfs/dbraw/zinc/17/32/21/433173221.db2.gz QLNGMUCBRFKJGC-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000336659920 433173229 /nfs/dbraw/zinc/17/32/29/433173229.db2.gz QLNGMUCBRFKJGC-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420359168 433174977 /nfs/dbraw/zinc/17/49/77/433174977.db2.gz GCTIYQXMPIOGSQ-ZRGWGRIASA-N 2 2 311.429 3.350 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1C ZINC000425339691 433178202 /nfs/dbraw/zinc/17/82/02/433178202.db2.gz TVZBLBHGRYWADI-SFHVURJKSA-N 2 2 312.461 3.440 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1C ZINC000425339691 433178212 /nfs/dbraw/zinc/17/82/12/433178212.db2.gz TVZBLBHGRYWADI-SFHVURJKSA-N 2 2 312.461 3.440 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000420361579 433181926 /nfs/dbraw/zinc/18/19/26/433181926.db2.gz HZUJBHZQZGBIBW-ISTVAULSSA-N 2 2 315.230 3.064 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420365032 433182607 /nfs/dbraw/zinc/18/26/07/433182607.db2.gz PTSNEHNQNPMCMO-CQSZACIVSA-N 2 2 305.447 3.189 20 0 DGADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000420365840 433182952 /nfs/dbraw/zinc/18/29/52/433182952.db2.gz STPTUOXWCCVHEZ-HNNXBMFYSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000420365840 433182959 /nfs/dbraw/zinc/18/29/59/433182959.db2.gz STPTUOXWCCVHEZ-HNNXBMFYSA-N 2 2 314.433 3.217 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363378 433184000 /nfs/dbraw/zinc/18/40/00/433184000.db2.gz HYFGTQHKSHWVDS-KXBFYZLASA-N 2 2 311.429 3.478 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363378 433184004 /nfs/dbraw/zinc/18/40/04/433184004.db2.gz HYFGTQHKSHWVDS-KXBFYZLASA-N 2 2 311.429 3.478 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000420369204 433184044 /nfs/dbraw/zinc/18/40/44/433184044.db2.gz OEICTCSVGJCZCX-JTQLQIEISA-N 2 2 307.385 3.159 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000336716919 433185156 /nfs/dbraw/zinc/18/51/56/433185156.db2.gz QJWOGFIHUFUTOY-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000336716919 433185165 /nfs/dbraw/zinc/18/51/65/433185165.db2.gz QJWOGFIHUFUTOY-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)C1CCCCC1 ZINC000420371790 433186768 /nfs/dbraw/zinc/18/67/68/433186768.db2.gz PRIHVSTWSAFZFR-AWEZNQCLSA-N 2 2 322.403 3.429 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000354630828 433187891 /nfs/dbraw/zinc/18/78/91/433187891.db2.gz KZVZKXNUAQTXND-FFZOFVMBSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000354630828 433187901 /nfs/dbraw/zinc/18/79/01/433187901.db2.gz KZVZKXNUAQTXND-FFZOFVMBSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713299 433187993 /nfs/dbraw/zinc/18/79/93/433187993.db2.gz MREZZPQXPKMWIN-ATZDWAIDSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713299 433187999 /nfs/dbraw/zinc/18/79/99/433187999.db2.gz MREZZPQXPKMWIN-ATZDWAIDSA-N 2 2 302.462 3.054 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000336716795 433188735 /nfs/dbraw/zinc/18/87/35/433188735.db2.gz PNFCDSJOGUNTIH-UHFFFAOYSA-N 2 2 308.347 3.455 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000336716795 433188749 /nfs/dbraw/zinc/18/87/49/433188749.db2.gz PNFCDSJOGUNTIH-UHFFFAOYSA-N 2 2 308.347 3.455 20 0 DGADLP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420372463 433189195 /nfs/dbraw/zinc/18/91/95/433189195.db2.gz MJBLTIDTNVLUQC-SFHVURJKSA-N 2 2 315.392 3.056 20 0 DGADLP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420372463 433189209 /nfs/dbraw/zinc/18/92/09/433189209.db2.gz MJBLTIDTNVLUQC-SFHVURJKSA-N 2 2 315.392 3.056 20 0 DGADLP CC1(C)C[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000453443462 433190020 /nfs/dbraw/zinc/19/00/20/433190020.db2.gz XRIYVPVGBABGHR-CYBMUJFWSA-N 2 2 322.415 3.198 20 0 DGADLP c1csc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420384362 433190390 /nfs/dbraw/zinc/19/03/90/433190390.db2.gz DOUOZCBAVURVBO-ZFWWWQNUSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420384362 433190397 /nfs/dbraw/zinc/19/03/97/433190397.db2.gz DOUOZCBAVURVBO-ZFWWWQNUSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420385752 433191453 /nfs/dbraw/zinc/19/14/53/433191453.db2.gz FGSBZOIREYQRNP-ZIAGYGMSSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420385752 433191459 /nfs/dbraw/zinc/19/14/59/433191459.db2.gz FGSBZOIREYQRNP-ZIAGYGMSSA-N 2 2 317.458 3.367 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CCCO1 ZINC000420380791 433192706 /nfs/dbraw/zinc/19/27/06/433192706.db2.gz CHLLSFZWOZJDNG-GOSISDBHSA-N 2 2 312.413 3.029 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CCCO1 ZINC000420380791 433192719 /nfs/dbraw/zinc/19/27/19/433192719.db2.gz CHLLSFZWOZJDNG-GOSISDBHSA-N 2 2 312.413 3.029 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)o1 ZINC000420414165 433202591 /nfs/dbraw/zinc/20/25/91/433202591.db2.gz UKQCCLFLWGGLCL-AAEUAGOBSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)o1 ZINC000420414165 433202598 /nfs/dbraw/zinc/20/25/98/433202598.db2.gz UKQCCLFLWGGLCL-AAEUAGOBSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000453582285 433214931 /nfs/dbraw/zinc/21/49/31/433214931.db2.gz MAFKLWAFZPLHBQ-SECBINFHSA-N 2 2 314.252 3.194 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280908819 433222365 /nfs/dbraw/zinc/22/23/65/433222365.db2.gz RTPCQNNLDSKIBO-KUHUBIRLSA-N 2 2 323.396 3.202 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCSC1 ZINC000341700071 433224035 /nfs/dbraw/zinc/22/40/35/433224035.db2.gz STDGNRIYVZVDSC-IAGOWNOFSA-N 2 2 308.466 3.230 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604324 433246009 /nfs/dbraw/zinc/24/60/09/433246009.db2.gz ZXTVGLIDSPSHPJ-NVXWUHKLSA-N 2 2 301.478 3.420 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604324 433246017 /nfs/dbraw/zinc/24/60/17/433246017.db2.gz ZXTVGLIDSPSHPJ-NVXWUHKLSA-N 2 2 301.478 3.420 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354735219 433247652 /nfs/dbraw/zinc/24/76/52/433247652.db2.gz PJBRPKDRQLJDDO-INIZCTEOSA-N 2 2 307.482 3.270 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354735219 433247662 /nfs/dbraw/zinc/24/76/62/433247662.db2.gz PJBRPKDRQLJDDO-INIZCTEOSA-N 2 2 307.482 3.270 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1(CO)CCCC1 ZINC000453626104 433251210 /nfs/dbraw/zinc/25/12/10/433251210.db2.gz ZZPFOGHWGGEBHP-KRWDZBQOSA-N 2 2 301.434 3.001 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726569 433265777 /nfs/dbraw/zinc/26/57/77/433265777.db2.gz GGJXPKGVXKJWPX-ZYHUDNBSSA-N 2 2 321.412 3.324 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726569 433265786 /nfs/dbraw/zinc/26/57/86/433265786.db2.gz GGJXPKGVXKJWPX-ZYHUDNBSSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726569 433265795 /nfs/dbraw/zinc/26/57/95/433265795.db2.gz GGJXPKGVXKJWPX-ZYHUDNBSSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726569 433265801 /nfs/dbraw/zinc/26/58/01/433265801.db2.gz GGJXPKGVXKJWPX-ZYHUDNBSSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000420921909 433317554 /nfs/dbraw/zinc/31/75/54/433317554.db2.gz MVDVJSQBRJKVEQ-ZFWWWQNUSA-N 2 2 312.889 3.064 20 0 DGADLP Fc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000354813976 433288667 /nfs/dbraw/zinc/28/86/67/433288667.db2.gz PWTZIGWWHIKOAS-UHFFFAOYSA-N 2 2 323.799 3.461 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000299005852 433295786 /nfs/dbraw/zinc/29/57/86/433295786.db2.gz DNXGHRPTPNMFEB-UHFFFAOYSA-N 2 2 313.323 3.222 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000299005852 433295794 /nfs/dbraw/zinc/29/57/94/433295794.db2.gz DNXGHRPTPNMFEB-UHFFFAOYSA-N 2 2 313.323 3.222 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000287540949 292763152 /nfs/dbraw/zinc/76/31/52/292763152.db2.gz OEYMWSWUZCLTSD-CYBMUJFWSA-N 2 2 318.446 3.184 20 0 DGADLP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)CCn1cc[nH+]c1 ZINC000425554789 433298730 /nfs/dbraw/zinc/29/87/30/433298730.db2.gz XLROBNXWZVUYKX-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CCn1cc[nH+]c1 ZINC000425554789 433298738 /nfs/dbraw/zinc/29/87/38/433298738.db2.gz XLROBNXWZVUYKX-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[NH+](C)C ZINC000291650330 433300965 /nfs/dbraw/zinc/30/09/65/433300965.db2.gz CRFPIRZOSFFIQM-HNNXBMFYSA-N 3 2 323.912 3.092 20 0 DGADLP CCc1nc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822012 433301055 /nfs/dbraw/zinc/30/10/55/433301055.db2.gz KONDIVXLAXKWAX-RDJZCZTQSA-N 2 2 310.445 3.595 20 0 DGADLP CCc1nc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822012 433301064 /nfs/dbraw/zinc/30/10/64/433301064.db2.gz KONDIVXLAXKWAX-RDJZCZTQSA-N 2 2 310.445 3.595 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000420902985 433304564 /nfs/dbraw/zinc/30/45/64/433304564.db2.gz AJXCLJIRIBITDA-WOJBJXKFSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000420902985 433304570 /nfs/dbraw/zinc/30/45/70/433304570.db2.gz AJXCLJIRIBITDA-WOJBJXKFSA-N 2 2 314.473 3.283 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000448020659 433346634 /nfs/dbraw/zinc/34/66/34/433346634.db2.gz DCBSDXXTZIXPDJ-NUJGCVRESA-N 2 2 318.509 3.156 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000448020659 433346640 /nfs/dbraw/zinc/34/66/40/433346640.db2.gz DCBSDXXTZIXPDJ-NUJGCVRESA-N 2 2 318.509 3.156 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000423067212 289789606 /nfs/dbraw/zinc/78/96/06/289789606.db2.gz YWQUAKXCDWADJV-VHSSKADRSA-N 2 2 314.404 3.197 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448028431 433352828 /nfs/dbraw/zinc/35/28/28/433352828.db2.gz OOJOFDCFDVILST-MWDXBVQZSA-N 2 2 324.509 3.064 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448028431 433352836 /nfs/dbraw/zinc/35/28/36/433352836.db2.gz OOJOFDCFDVILST-MWDXBVQZSA-N 2 2 324.509 3.064 20 0 DGADLP c1cn(C2CCCC2)nc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000375084017 433355948 /nfs/dbraw/zinc/35/59/48/433355948.db2.gz JSELKBRVEOCVBU-GOSISDBHSA-N 2 2 312.417 3.047 20 0 DGADLP c1cn(C2CCCC2)nc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000375084017 433355959 /nfs/dbraw/zinc/35/59/59/433355959.db2.gz JSELKBRVEOCVBU-GOSISDBHSA-N 2 2 312.417 3.047 20 0 DGADLP CC1=C(C)C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420970192 433359951 /nfs/dbraw/zinc/35/99/51/433359951.db2.gz ZKVTVYZZUKFZPT-UHFFFAOYSA-N 2 2 300.446 3.061 20 0 DGADLP CC1=C(C)C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420970192 433359959 /nfs/dbraw/zinc/35/99/59/433359959.db2.gz ZKVTVYZZUKFZPT-UHFFFAOYSA-N 2 2 300.446 3.061 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)CC(F)(F)F)sc2C1 ZINC000361743677 433368830 /nfs/dbraw/zinc/36/88/30/433368830.db2.gz NBMIVWHRXGWWRD-JTQLQIEISA-N 2 2 321.412 3.340 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)CC(F)(F)F)sc2C1 ZINC000361743677 433368837 /nfs/dbraw/zinc/36/88/37/433368837.db2.gz NBMIVWHRXGWWRD-JTQLQIEISA-N 2 2 321.412 3.340 20 0 DGADLP c1ccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420937939 433332870 /nfs/dbraw/zinc/33/28/70/433332870.db2.gz LYJNKOKUIIYQSP-UHFFFAOYSA-N 2 2 322.452 3.298 20 0 DGADLP CCOc1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)ccc1O ZINC000299160265 433339511 /nfs/dbraw/zinc/33/95/11/433339511.db2.gz KUPZBWAQRYUOJD-UHFFFAOYSA-N 2 2 314.429 3.013 20 0 DGADLP CCOc1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)ccc1O ZINC000299160265 433339516 /nfs/dbraw/zinc/33/95/16/433339516.db2.gz KUPZBWAQRYUOJD-UHFFFAOYSA-N 2 2 314.429 3.013 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339074486 433341828 /nfs/dbraw/zinc/34/18/28/433341828.db2.gz LXZYUWMREJJQLP-LPWQTFTOSA-N 2 2 314.473 3.227 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339074486 433341836 /nfs/dbraw/zinc/34/18/36/433341836.db2.gz LXZYUWMREJJQLP-LPWQTFTOSA-N 2 2 314.473 3.227 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000351224218 433426078 /nfs/dbraw/zinc/42/60/78/433426078.db2.gz CODLHZLYOUZDOG-INIZCTEOSA-N 2 2 312.417 3.443 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000351224218 433426088 /nfs/dbraw/zinc/42/60/88/433426088.db2.gz CODLHZLYOUZDOG-INIZCTEOSA-N 2 2 312.417 3.443 20 0 DGADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1C[C@@H]1C ZINC000414099447 433397445 /nfs/dbraw/zinc/39/74/45/433397445.db2.gz QIXPSJIENXIXIO-WBAXXEDZSA-N 2 2 316.493 3.459 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341993217 433402400 /nfs/dbraw/zinc/40/24/00/433402400.db2.gz OVXSGUNBANMQNV-MRXNPFEDSA-N 2 2 309.335 3.040 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341993217 433402410 /nfs/dbraw/zinc/40/24/10/433402410.db2.gz OVXSGUNBANMQNV-MRXNPFEDSA-N 2 2 309.335 3.040 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000361838853 433411067 /nfs/dbraw/zinc/41/10/67/433411067.db2.gz DXIZVYCBTQOWGT-GMBSWORKSA-N 2 2 313.445 3.162 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000361838853 433411076 /nfs/dbraw/zinc/41/10/76/433411076.db2.gz DXIZVYCBTQOWGT-GMBSWORKSA-N 2 2 313.445 3.162 20 0 DGADLP CC[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301124668 433423838 /nfs/dbraw/zinc/42/38/38/433423838.db2.gz NVFUFHFFBQXGHT-UHFFFAOYSA-N 2 2 320.234 3.139 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000361877531 433435553 /nfs/dbraw/zinc/43/55/53/433435553.db2.gz ONVUQEMKKNNIDF-APWZRJJASA-N 2 2 304.478 3.258 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCC1 ZINC000355069444 433447214 /nfs/dbraw/zinc/44/72/14/433447214.db2.gz ZJUCCTLYCGKKBM-MAUKXSAKSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CCC1 ZINC000355069444 433447223 /nfs/dbraw/zinc/44/72/23/433447223.db2.gz ZJUCCTLYCGKKBM-MAUKXSAKSA-N 2 2 314.473 3.189 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@@H]21 ZINC000342083784 433458714 /nfs/dbraw/zinc/45/87/14/433458714.db2.gz KUTGPRJPESGPSF-VNQPRFMTSA-N 2 2 305.491 3.360 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@@H]21 ZINC000342083784 433458723 /nfs/dbraw/zinc/45/87/23/433458723.db2.gz KUTGPRJPESGPSF-VNQPRFMTSA-N 2 2 305.491 3.360 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@H](c1ccccc1)[NH+](C)C ZINC000248647843 290050704 /nfs/dbraw/zinc/05/07/04/290050704.db2.gz UCOJQVAXXFJKNY-UCLAIMLFSA-N 2 2 312.461 3.079 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@H]21 ZINC000342098754 433470368 /nfs/dbraw/zinc/47/03/68/433470368.db2.gz IWUJUWZQLGXQCK-IACUBPJLSA-N 2 2 319.499 3.431 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@H]21 ZINC000342098754 433470374 /nfs/dbraw/zinc/47/03/74/433470374.db2.gz IWUJUWZQLGXQCK-IACUBPJLSA-N 2 2 319.499 3.431 20 0 DGADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453347760 290217710 /nfs/dbraw/zinc/21/77/10/290217710.db2.gz FWTCRQKORNYULP-APWZRJJASA-N 2 2 311.429 3.436 20 0 DGADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453347760 290217714 /nfs/dbraw/zinc/21/77/14/290217714.db2.gz FWTCRQKORNYULP-APWZRJJASA-N 2 2 311.429 3.436 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cnn1C(C)C ZINC000375502865 433479614 /nfs/dbraw/zinc/47/96/14/433479614.db2.gz XEUKOHIBDBVBTQ-AWEZNQCLSA-N 2 2 315.465 3.199 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000361980156 433479958 /nfs/dbraw/zinc/47/99/58/433479958.db2.gz HRDRTLLOXFLPRV-WBAXXEDZSA-N 2 2 300.446 3.281 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000361980156 433479969 /nfs/dbraw/zinc/47/99/69/433479969.db2.gz HRDRTLLOXFLPRV-WBAXXEDZSA-N 2 2 300.446 3.281 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000414246296 433484228 /nfs/dbraw/zinc/48/42/28/433484228.db2.gz BIMQIOJBUBRSCW-HUUCEWRRSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414246296 433484237 /nfs/dbraw/zinc/48/42/37/433484237.db2.gz BIMQIOJBUBRSCW-HUUCEWRRSA-N 2 2 323.278 3.474 20 0 DGADLP C[C@@H](CNc1cc[nH+]c2ccc(Cl)cc12)C[NH+]1CCOCC1 ZINC000301343387 433514268 /nfs/dbraw/zinc/51/42/68/433514268.db2.gz FVROWOMCPJWWOG-ZDUSSCGKSA-N 2 2 319.836 3.268 20 0 DGADLP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000292233720 433516269 /nfs/dbraw/zinc/51/62/69/433516269.db2.gz IYOVYAHNENTVSQ-QGZVFWFLSA-N 2 2 301.821 3.420 20 0 DGADLP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000292233720 433516274 /nfs/dbraw/zinc/51/62/74/433516274.db2.gz IYOVYAHNENTVSQ-QGZVFWFLSA-N 2 2 301.821 3.420 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]12 ZINC000351476480 433524075 /nfs/dbraw/zinc/52/40/75/433524075.db2.gz KNYJCXFSFBAUND-SGIREYDYSA-N 2 2 317.433 3.118 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]12 ZINC000351476480 433524085 /nfs/dbraw/zinc/52/40/85/433524085.db2.gz KNYJCXFSFBAUND-SGIREYDYSA-N 2 2 317.433 3.118 20 0 DGADLP CCc1cc(NCCc2[nH+]ccn2Cc2ccccc2)nc(C)[nH+]1 ZINC000301371858 433526172 /nfs/dbraw/zinc/52/61/72/433526172.db2.gz VPXJLCFRWSNPGY-UHFFFAOYSA-N 2 2 321.428 3.247 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000414303725 433527904 /nfs/dbraw/zinc/52/79/04/433527904.db2.gz LXPRSBAESPSYDD-XYJFISCASA-N 2 2 302.462 3.197 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414303725 433527913 /nfs/dbraw/zinc/52/79/13/433527913.db2.gz LXPRSBAESPSYDD-XYJFISCASA-N 2 2 302.462 3.197 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000355208390 433536931 /nfs/dbraw/zinc/53/69/31/433536931.db2.gz HTDLWIMIDWVYHE-RHSMWYFYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000355208390 433536939 /nfs/dbraw/zinc/53/69/39/433536939.db2.gz HTDLWIMIDWVYHE-RHSMWYFYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000355208390 433536947 /nfs/dbraw/zinc/53/69/47/433536947.db2.gz HTDLWIMIDWVYHE-RHSMWYFYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000355208390 433536953 /nfs/dbraw/zinc/53/69/53/433536953.db2.gz HTDLWIMIDWVYHE-RHSMWYFYSA-N 2 2 308.853 3.265 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000414246299 433486186 /nfs/dbraw/zinc/48/61/86/433486186.db2.gz BIMQIOJBUBRSCW-LSDHHAIUSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000414246299 433486196 /nfs/dbraw/zinc/48/61/96/433486196.db2.gz BIMQIOJBUBRSCW-LSDHHAIUSA-N 2 2 323.278 3.474 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1O ZINC000426418937 433490972 /nfs/dbraw/zinc/49/09/72/433490972.db2.gz YYMQJIYDPDZSLK-RDJZCZTQSA-N 2 2 322.493 3.288 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2Br)CCC1 ZINC000342137196 433491248 /nfs/dbraw/zinc/49/12/48/433491248.db2.gz ICQAFQSSPXMPPZ-UHFFFAOYSA-N 2 2 303.631 3.074 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000414270867 433502339 /nfs/dbraw/zinc/50/23/39/433502339.db2.gz WQEKMHQTZABNSY-IUODEOHRSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000414270867 433502348 /nfs/dbraw/zinc/50/23/48/433502348.db2.gz WQEKMHQTZABNSY-IUODEOHRSA-N 2 2 311.267 3.187 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)C[NH+](C)C ZINC000342217293 433540827 /nfs/dbraw/zinc/54/08/27/433540827.db2.gz QQRVGGCUQWCKCD-MNOVXSKESA-N 2 2 317.246 3.059 20 0 DGADLP C[C@H]1CC[N@H+](CCCCC2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000375615388 433506450 /nfs/dbraw/zinc/50/64/50/433506450.db2.gz WPKXRXKBCQYWRJ-WMZOPIPTSA-N 2 2 305.466 3.363 20 0 DGADLP C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000375615388 433506457 /nfs/dbraw/zinc/50/64/57/433506457.db2.gz WPKXRXKBCQYWRJ-WMZOPIPTSA-N 2 2 305.466 3.363 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293792 433507255 /nfs/dbraw/zinc/50/72/55/433507255.db2.gz PPKCPFYUCBWOMH-YJBOKZPZSA-N 2 2 313.445 3.380 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293792 433507265 /nfs/dbraw/zinc/50/72/65/433507265.db2.gz PPKCPFYUCBWOMH-YJBOKZPZSA-N 2 2 313.445 3.380 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375618670 433507284 /nfs/dbraw/zinc/50/72/84/433507284.db2.gz AFVVQDQIRPERRA-QFBILLFUSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375618670 433507289 /nfs/dbraw/zinc/50/72/89/433507289.db2.gz AFVVQDQIRPERRA-QFBILLFUSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375618670 433507304 /nfs/dbraw/zinc/50/73/04/433507304.db2.gz AFVVQDQIRPERRA-QFBILLFUSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCCC1 ZINC000292205965 433508257 /nfs/dbraw/zinc/50/82/57/433508257.db2.gz PTKVNKCHIGBGTG-ICSRJNTNSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCCC1 ZINC000292205965 433508264 /nfs/dbraw/zinc/50/82/64/433508264.db2.gz PTKVNKCHIGBGTG-ICSRJNTNSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000301427612 433551129 /nfs/dbraw/zinc/55/11/29/433551129.db2.gz PLZJCFJQWKEIHB-BBRMVZONSA-N 2 2 302.447 3.342 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000301427612 433551134 /nfs/dbraw/zinc/55/11/34/433551134.db2.gz PLZJCFJQWKEIHB-BBRMVZONSA-N 2 2 302.447 3.342 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000339391257 433552564 /nfs/dbraw/zinc/55/25/64/433552564.db2.gz ACJMTAKDJFTABF-UONOGXRCSA-N 2 2 322.840 3.420 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344075 433553733 /nfs/dbraw/zinc/55/37/33/433553733.db2.gz YWYJWRKWXLPSBD-FXAWDEMLSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344075 433553739 /nfs/dbraw/zinc/55/37/39/433553739.db2.gz YWYJWRKWXLPSBD-FXAWDEMLSA-N 2 2 323.484 3.469 20 0 DGADLP COc1ccc(F)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000339401881 433556949 /nfs/dbraw/zinc/55/69/49/433556949.db2.gz YQCPBUDSMHYEGX-UHFFFAOYSA-N 2 2 312.348 3.086 20 0 DGADLP Clc1cccc(S[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000292331120 433557091 /nfs/dbraw/zinc/55/70/91/433557091.db2.gz GARYNQASITVNDT-HNNXBMFYSA-N 2 2 307.850 3.403 20 0 DGADLP Clc1cccc(S[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000292331120 433557100 /nfs/dbraw/zinc/55/71/00/433557100.db2.gz GARYNQASITVNDT-HNNXBMFYSA-N 2 2 307.850 3.403 20 0 DGADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)[nH+]cn1 ZINC000301443051 433558483 /nfs/dbraw/zinc/55/84/83/433558483.db2.gz NCMFBQNMFOROPO-SFHVURJKSA-N 2 2 310.445 3.133 20 0 DGADLP Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1Cl ZINC000351547695 433564492 /nfs/dbraw/zinc/56/44/92/433564492.db2.gz ZWPCGVNMFFLXDW-UHFFFAOYSA-N 2 2 312.804 3.900 20 0 DGADLP COc1ccc2nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)sc2c1 ZINC000339405968 433564663 /nfs/dbraw/zinc/56/46/63/433564663.db2.gz FALQYPKQHVJJEC-ZDUSSCGKSA-N 2 2 307.463 3.110 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)sc2c1 ZINC000339405968 433564669 /nfs/dbraw/zinc/56/46/69/433564669.db2.gz FALQYPKQHVJJEC-ZDUSSCGKSA-N 2 2 307.463 3.110 20 0 DGADLP CC(C)Oc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351546948 433565178 /nfs/dbraw/zinc/56/51/78/433565178.db2.gz UIWCQTRDZZRTNX-UHFFFAOYSA-N 2 2 322.412 3.726 20 0 DGADLP CCCOc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351546471 433566086 /nfs/dbraw/zinc/56/60/86/433566086.db2.gz RNBOXYDYHAIWLL-UHFFFAOYSA-N 2 2 322.412 3.727 20 0 DGADLP CN(C)c1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351569548 433583976 /nfs/dbraw/zinc/58/39/76/433583976.db2.gz QXYLYDBXRDXEJR-UHFFFAOYSA-N 2 2 307.401 3.005 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Cl)c1 ZINC000339440974 433584758 /nfs/dbraw/zinc/58/47/58/433584758.db2.gz LQXAWMWDNIQTNJ-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Cl)c1 ZINC000339440974 433584765 /nfs/dbraw/zinc/58/47/65/433584765.db2.gz LQXAWMWDNIQTNJ-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Cl)c1 ZINC000339440974 433584773 /nfs/dbraw/zinc/58/47/73/433584773.db2.gz LQXAWMWDNIQTNJ-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Cl)c1 ZINC000339440974 433584781 /nfs/dbraw/zinc/58/47/81/433584781.db2.gz LQXAWMWDNIQTNJ-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COC1(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339443740 433589530 /nfs/dbraw/zinc/58/95/30/433589530.db2.gz DGFPJDLRMBFOBV-SJLPKXTDSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339443740 433589537 /nfs/dbraw/zinc/58/95/37/433589537.db2.gz DGFPJDLRMBFOBV-SJLPKXTDSA-N 2 2 302.462 3.371 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000282383795 433590246 /nfs/dbraw/zinc/59/02/46/433590246.db2.gz XDNVBGZVCGICQN-VQIMIIECSA-N 2 2 313.445 3.226 20 0 DGADLP CCc1ncc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1 ZINC000414390547 433590489 /nfs/dbraw/zinc/59/04/89/433590489.db2.gz JEAFQTZIDAKMCL-OAHLLOKOSA-N 2 2 312.461 3.258 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414325839 433542242 /nfs/dbraw/zinc/54/22/42/433542242.db2.gz MUFYNMZCPMJNLD-CYBMUJFWSA-N 2 2 318.490 3.449 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc2O1 ZINC000292313793 433547730 /nfs/dbraw/zinc/54/77/30/433547730.db2.gz DXJIPVYVCGNEBB-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc2O1 ZINC000292313793 433547739 /nfs/dbraw/zinc/54/77/39/433547739.db2.gz DXJIPVYVCGNEBB-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000375985546 433633485 /nfs/dbraw/zinc/63/34/85/433633485.db2.gz MZBJRSPBXPWZEL-LMCLKVLCSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000375985546 433633492 /nfs/dbraw/zinc/63/34/92/433633492.db2.gz MZBJRSPBXPWZEL-LMCLKVLCSA-N 2 2 302.462 3.195 20 0 DGADLP COc1cccc([C@H](C)[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000301617348 433642678 /nfs/dbraw/zinc/64/26/78/433642678.db2.gz CLKMILMPIUREDL-INIZCTEOSA-N 2 2 311.429 3.282 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342305229 433603272 /nfs/dbraw/zinc/60/32/72/433603272.db2.gz HIUJZKCJIKZINC-UZLBHIALSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342305229 433603279 /nfs/dbraw/zinc/60/32/79/433603279.db2.gz HIUJZKCJIKZINC-UZLBHIALSA-N 2 2 309.457 3.397 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000282439494 433609724 /nfs/dbraw/zinc/60/97/24/433609724.db2.gz ZJHBGPYRQUOUKW-NZSAHSFTSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000282439494 433609734 /nfs/dbraw/zinc/60/97/34/433609734.db2.gz ZJHBGPYRQUOUKW-NZSAHSFTSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000351604164 433613638 /nfs/dbraw/zinc/61/36/38/433613638.db2.gz VJFRCXJJHKPBGU-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000351604164 433613644 /nfs/dbraw/zinc/61/36/44/433613644.db2.gz VJFRCXJJHKPBGU-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000351604164 433613649 /nfs/dbraw/zinc/61/36/49/433613649.db2.gz VJFRCXJJHKPBGU-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351604164 433613653 /nfs/dbraw/zinc/61/36/53/433613653.db2.gz VJFRCXJJHKPBGU-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427120217 433654468 /nfs/dbraw/zinc/65/44/68/433654468.db2.gz AOQKPDHVOSAMIY-CJNGLKHVSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427120217 433654477 /nfs/dbraw/zinc/65/44/77/433654477.db2.gz AOQKPDHVOSAMIY-CJNGLKHVSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427120216 433655836 /nfs/dbraw/zinc/65/58/36/433655836.db2.gz AOQKPDHVOSAMIY-BBRMVZONSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427120216 433655842 /nfs/dbraw/zinc/65/58/42/433655842.db2.gz AOQKPDHVOSAMIY-BBRMVZONSA-N 2 2 301.821 3.072 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427124555 433657587 /nfs/dbraw/zinc/65/75/87/433657587.db2.gz STGINCOCUQMIDU-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427124555 433657592 /nfs/dbraw/zinc/65/75/92/433657592.db2.gz STGINCOCUQMIDU-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650562 433658638 /nfs/dbraw/zinc/65/86/38/433658638.db2.gz GHMVKSMEMJLZAA-ACJLOTCBSA-N 2 2 310.445 3.477 20 0 DGADLP Cc1nc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650562 433658645 /nfs/dbraw/zinc/65/86/45/433658645.db2.gz GHMVKSMEMJLZAA-ACJLOTCBSA-N 2 2 310.445 3.477 20 0 DGADLP Cc1nc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650571 433658967 /nfs/dbraw/zinc/65/89/67/433658967.db2.gz GHMVKSMEMJLZAA-UGSOOPFHSA-N 2 2 310.445 3.477 20 0 DGADLP Cc1nc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650571 433658977 /nfs/dbraw/zinc/65/89/77/433658977.db2.gz GHMVKSMEMJLZAA-UGSOOPFHSA-N 2 2 310.445 3.477 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376080308 433659703 /nfs/dbraw/zinc/65/97/03/433659703.db2.gz IUUFDOWYOLEAOD-RCCFBDPRSA-N 2 2 318.509 3.300 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376080308 433659712 /nfs/dbraw/zinc/65/97/12/433659712.db2.gz IUUFDOWYOLEAOD-RCCFBDPRSA-N 2 2 318.509 3.300 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000301658997 433662271 /nfs/dbraw/zinc/66/22/71/433662271.db2.gz SWQBFXXFRAZVGJ-KRWDZBQOSA-N 2 2 310.445 3.013 20 0 DGADLP Cc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c(C)[nH+]1 ZINC000301675219 433670519 /nfs/dbraw/zinc/67/05/19/433670519.db2.gz HFVCUTYHGBFGQL-UHFFFAOYSA-N 2 2 311.364 3.339 20 0 DGADLP Cc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301702123 433687994 /nfs/dbraw/zinc/68/79/94/433687994.db2.gz UAZCDJYDOGREKI-SFHVURJKSA-N 2 2 310.445 3.478 20 0 DGADLP Cc1nc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301702123 433687999 /nfs/dbraw/zinc/68/79/99/433687999.db2.gz UAZCDJYDOGREKI-SFHVURJKSA-N 2 2 310.445 3.478 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381388 433651131 /nfs/dbraw/zinc/65/11/31/433651131.db2.gz XLRKHYWZJADVBA-JSGCOSHPSA-N 2 2 305.397 3.272 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381388 433651141 /nfs/dbraw/zinc/65/11/41/433651141.db2.gz XLRKHYWZJADVBA-JSGCOSHPSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381388 433651152 /nfs/dbraw/zinc/65/11/52/433651152.db2.gz XLRKHYWZJADVBA-JSGCOSHPSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342381388 433651161 /nfs/dbraw/zinc/65/11/61/433651161.db2.gz XLRKHYWZJADVBA-JSGCOSHPSA-N 2 2 305.397 3.272 20 0 DGADLP c1ccc([C@@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000367259596 293044927 /nfs/dbraw/zinc/04/49/27/293044927.db2.gz IXVKMZFIFVDUOH-RTBURBONSA-N 2 2 314.473 3.372 20 0 DGADLP c1nc2n(c1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CCCC2 ZINC000367436217 293071533 /nfs/dbraw/zinc/07/15/33/293071533.db2.gz DXFWFNXTACYKLG-UHFFFAOYSA-N 2 2 316.493 3.106 20 0 DGADLP c1[nH+]c2n(c1CNC1CC[NH+](C3CCCCC3)CC1)CCCC2 ZINC000367436217 293071536 /nfs/dbraw/zinc/07/15/36/293071536.db2.gz DXFWFNXTACYKLG-UHFFFAOYSA-N 2 2 316.493 3.106 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(OC)c1 ZINC000367434995 293071695 /nfs/dbraw/zinc/07/16/95/293071695.db2.gz APSKJIDLFBEODX-CYBMUJFWSA-N 2 2 315.417 3.087 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000367438948 293072727 /nfs/dbraw/zinc/07/27/27/293072727.db2.gz QMVJFQDFLHYGAO-QGZVFWFLSA-N 2 2 316.493 3.224 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000367438948 293072728 /nfs/dbraw/zinc/07/27/28/293072728.db2.gz QMVJFQDFLHYGAO-QGZVFWFLSA-N 2 2 316.493 3.224 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC000367464937 293076714 /nfs/dbraw/zinc/07/67/14/293076714.db2.gz WQDPUZNQNIAGSN-SOAGJPPSSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC000367464937 293076715 /nfs/dbraw/zinc/07/67/15/293076715.db2.gz WQDPUZNQNIAGSN-SOAGJPPSSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC000367464937 293076716 /nfs/dbraw/zinc/07/67/16/293076716.db2.gz WQDPUZNQNIAGSN-SOAGJPPSSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC000367464937 293076717 /nfs/dbraw/zinc/07/67/17/293076717.db2.gz WQDPUZNQNIAGSN-SOAGJPPSSA-N 2 2 314.473 3.152 20 0 DGADLP c1coc(C2=CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000367523241 293083428 /nfs/dbraw/zinc/08/34/28/293083428.db2.gz NWAYHEAMQFEHDL-UHFFFAOYSA-N 2 2 306.369 3.150 20 0 DGADLP c1coc(C2=CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000367523241 293083432 /nfs/dbraw/zinc/08/34/32/293083432.db2.gz NWAYHEAMQFEHDL-UHFFFAOYSA-N 2 2 306.369 3.150 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC000368365096 293119599 /nfs/dbraw/zinc/11/95/99/293119599.db2.gz YXWMCICBCIQZKF-ODIFPOPNSA-N 2 2 320.481 3.114 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000368452584 293123838 /nfs/dbraw/zinc/12/38/38/293123838.db2.gz CEYSDGRSMHJLKF-LJQANCHMSA-N 2 2 314.473 3.456 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000368452584 293123839 /nfs/dbraw/zinc/12/38/39/293123839.db2.gz CEYSDGRSMHJLKF-LJQANCHMSA-N 2 2 314.473 3.456 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(OCC3CC3)cc1)CCCC2 ZINC000368493191 293127755 /nfs/dbraw/zinc/12/77/55/293127755.db2.gz AONJGDPBJFKGPE-UHFFFAOYSA-N 2 2 311.429 3.298 20 0 DGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccncc1 ZINC000369755936 293138796 /nfs/dbraw/zinc/13/87/96/293138796.db2.gz BYANLLNJOPJCKL-HNNXBMFYSA-N 2 2 305.491 3.094 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000370063894 293153082 /nfs/dbraw/zinc/15/30/82/293153082.db2.gz SUEROHRKMWCXHT-OAHLLOKOSA-N 2 2 322.412 3.054 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000370063894 293153085 /nfs/dbraw/zinc/15/30/85/293153085.db2.gz SUEROHRKMWCXHT-OAHLLOKOSA-N 2 2 322.412 3.054 20 0 DGADLP COc1cccc2c(N3CC[C@@H](c4[nH+]ccn4C)C3)cc(C)[nH+]c12 ZINC000374348302 293387648 /nfs/dbraw/zinc/38/76/48/293387648.db2.gz FQODGOUUCFEWMN-CQSZACIVSA-N 2 2 322.412 3.279 20 0 DGADLP Cc1cccc(NCC2(C[NH+]3CCOCC3)CCCCC2)[nH+]1 ZINC000301776181 433720483 /nfs/dbraw/zinc/72/04/83/433720483.db2.gz OHPMXGQKXJYECO-UHFFFAOYSA-N 2 2 303.450 3.085 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000356840555 433726022 /nfs/dbraw/zinc/72/60/22/433726022.db2.gz FQCBXDSEICWDCQ-XHSDSOJGSA-N 2 2 308.491 3.290 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549189 433772458 /nfs/dbraw/zinc/77/24/58/433772458.db2.gz VGKZCBQQPKZIQV-AEFFLSMTSA-N 2 2 304.478 3.210 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549189 433772465 /nfs/dbraw/zinc/77/24/65/433772465.db2.gz VGKZCBQQPKZIQV-AEFFLSMTSA-N 2 2 304.478 3.210 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000449186635 433729713 /nfs/dbraw/zinc/72/97/13/433729713.db2.gz KWSLEXCODCIKKC-HITAIPBASA-N 2 2 306.494 3.472 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000449186635 433729719 /nfs/dbraw/zinc/72/97/19/433729719.db2.gz KWSLEXCODCIKKC-HITAIPBASA-N 2 2 306.494 3.472 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)C[C@H](C)O1 ZINC000362528260 433739106 /nfs/dbraw/zinc/73/91/06/433739106.db2.gz KTQNXRNAADNNLG-STQMWFEESA-N 2 2 314.832 3.068 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414595493 433739240 /nfs/dbraw/zinc/73/92/40/433739240.db2.gz SZKATJFQLHIWIP-SFHVURJKSA-N 2 2 313.420 3.330 20 0 DGADLP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000421824977 433749903 /nfs/dbraw/zinc/74/99/03/433749903.db2.gz LFFFBBFCDQZZFN-AWEZNQCLSA-N 2 2 317.408 3.449 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000342709160 433750477 /nfs/dbraw/zinc/75/04/77/433750477.db2.gz JVOCFLWZUAMBSN-UHFFFAOYSA-N 2 2 320.440 3.781 20 0 DGADLP CC[NH+](CC)CCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421833154 433757907 /nfs/dbraw/zinc/75/79/07/433757907.db2.gz IIFJGAMJQXKNCA-UHFFFAOYSA-N 2 2 322.518 3.094 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000421836082 433759551 /nfs/dbraw/zinc/75/95/51/433759551.db2.gz GMAVUWVOGPHPIF-FZMZJTMJSA-N 2 2 307.800 3.211 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301858814 433762935 /nfs/dbraw/zinc/76/29/35/433762935.db2.gz DUGWSBUYSQLZLF-CQSZACIVSA-N 2 2 313.449 3.136 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301858814 433762953 /nfs/dbraw/zinc/76/29/53/433762953.db2.gz DUGWSBUYSQLZLF-CQSZACIVSA-N 2 2 313.449 3.136 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)c(F)c1 ZINC000421840635 433764047 /nfs/dbraw/zinc/76/40/47/433764047.db2.gz HFMCLPGNYNWKLA-YXKWSERDSA-N 2 2 318.436 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)c(F)c1 ZINC000421840635 433764055 /nfs/dbraw/zinc/76/40/55/433764055.db2.gz HFMCLPGNYNWKLA-YXKWSERDSA-N 2 2 318.436 3.358 20 0 DGADLP Cc1ccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000449761880 433771085 /nfs/dbraw/zinc/77/10/85/433771085.db2.gz BTTASGURQJUSQZ-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP Cc1ccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000449761880 433771094 /nfs/dbraw/zinc/77/10/94/433771094.db2.gz BTTASGURQJUSQZ-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP C[C@H]([N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1)C1(C)CC1 ZINC000351886125 433772865 /nfs/dbraw/zinc/77/28/65/433772865.db2.gz BTTUNYUIGVNEPT-SFHVURJKSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H]([N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1)C1(C)CC1 ZINC000351886125 433772869 /nfs/dbraw/zinc/77/28/69/433772869.db2.gz BTTUNYUIGVNEPT-SFHVURJKSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414660936 433776190 /nfs/dbraw/zinc/77/61/90/433776190.db2.gz OZNKEKCOFVZSRY-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414660936 433776201 /nfs/dbraw/zinc/77/62/01/433776201.db2.gz OZNKEKCOFVZSRY-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669086 433778344 /nfs/dbraw/zinc/77/83/44/433778344.db2.gz JMODMSRMBUPXAB-DOMZBBRYSA-N 2 2 300.368 3.493 20 0 DGADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669086 433778357 /nfs/dbraw/zinc/77/83/57/433778357.db2.gz JMODMSRMBUPXAB-DOMZBBRYSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714737 433781868 /nfs/dbraw/zinc/78/18/68/433781868.db2.gz HGKBSYWVNLFMBC-QWFCFKBJSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714737 433781876 /nfs/dbraw/zinc/78/18/76/433781876.db2.gz HGKBSYWVNLFMBC-QWFCFKBJSA-N 2 2 316.489 3.255 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000301906512 433785938 /nfs/dbraw/zinc/78/59/38/433785938.db2.gz AEVCPSMQCYCDBG-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP CCC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000414679732 433786270 /nfs/dbraw/zinc/78/62/70/433786270.db2.gz XCZQAWWFDWVSAP-HOCLYGCPSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000414679732 433786278 /nfs/dbraw/zinc/78/62/78/433786278.db2.gz XCZQAWWFDWVSAP-HOCLYGCPSA-N 2 2 308.441 3.087 20 0 DGADLP CC[C@@H](C)[NH2+][C@H](CNc1cc[nH+]c(C(C)C)n1)c1ccco1 ZINC000343264488 433790899 /nfs/dbraw/zinc/79/08/99/433790899.db2.gz LDIIREWTYGKRME-ZIAGYGMSSA-N 2 2 302.422 3.734 20 0 DGADLP COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000449783220 433791327 /nfs/dbraw/zinc/79/13/27/433791327.db2.gz NKSCFQWVKHQNCL-CYBMUJFWSA-N 2 2 313.376 3.203 20 0 DGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000283877878 433793122 /nfs/dbraw/zinc/79/31/22/433793122.db2.gz IYJZIQMSVHNKNL-UHFFFAOYSA-N 2 2 317.286 3.101 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000430581921 433793336 /nfs/dbraw/zinc/79/33/36/433793336.db2.gz VHFIWDYHOMLUFM-FQEVSTJZSA-N 2 2 324.468 3.476 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000430581921 433793349 /nfs/dbraw/zinc/79/33/49/433793349.db2.gz VHFIWDYHOMLUFM-FQEVSTJZSA-N 2 2 324.468 3.476 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@@H]1C ZINC000351943141 433809511 /nfs/dbraw/zinc/80/95/11/433809511.db2.gz JTUYFLRVJUJASR-ZFWWWQNUSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@@H]1C ZINC000351943141 433809519 /nfs/dbraw/zinc/80/95/19/433809519.db2.gz JTUYFLRVJUJASR-ZFWWWQNUSA-N 2 2 304.438 3.035 20 0 DGADLP C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCn1cc[nH+]c1 ZINC000351946098 433810460 /nfs/dbraw/zinc/81/04/60/433810460.db2.gz XQVKAHPAWXWUAO-GFCCVEGCSA-N 2 2 320.234 3.265 20 0 DGADLP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000351946098 433810468 /nfs/dbraw/zinc/81/04/68/433810468.db2.gz XQVKAHPAWXWUAO-GFCCVEGCSA-N 2 2 320.234 3.265 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000414764133 433821292 /nfs/dbraw/zinc/82/12/92/433821292.db2.gz OAHDZIBFYWGOKC-DNVCBOLYSA-N 2 2 310.441 3.450 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000414764133 433821298 /nfs/dbraw/zinc/82/12/98/433821298.db2.gz OAHDZIBFYWGOKC-DNVCBOLYSA-N 2 2 310.441 3.450 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1OC ZINC000414837667 433874273 /nfs/dbraw/zinc/87/42/73/433874273.db2.gz UUXFOGNKYHEYQE-KRWDZBQOSA-N 2 2 314.429 3.274 20 0 DGADLP CSc1cc(Br)ccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414801760 433845519 /nfs/dbraw/zinc/84/55/19/433845519.db2.gz USBWMBVRSCDADY-LBPRGKRZSA-N 2 2 317.296 3.244 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH+]3Cc4ccccc4C3)CC2)cc1 ZINC000352002128 433847761 /nfs/dbraw/zinc/84/77/61/433847761.db2.gz FDPNJGUFFXNMHK-UHFFFAOYSA-N 2 2 321.468 3.215 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414807331 433848362 /nfs/dbraw/zinc/84/83/62/433848362.db2.gz CPZSFJGDXITGQL-ZDUSSCGKSA-N 2 2 312.841 3.108 20 0 DGADLP Cc1nnsc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000293738054 433849590 /nfs/dbraw/zinc/84/95/90/433849590.db2.gz QOZWEHVZLJOAHW-LLVKDONJSA-N 2 2 313.430 3.191 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344291586 433856797 /nfs/dbraw/zinc/85/67/97/433856797.db2.gz NCPUXWZPJYDJQQ-NEWSRXKRSA-N 2 2 316.489 3.209 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344291586 433856803 /nfs/dbraw/zinc/85/68/03/433856803.db2.gz NCPUXWZPJYDJQQ-NEWSRXKRSA-N 2 2 316.489 3.209 20 0 DGADLP Cc1ccn2c(CNCC[NH2+]C3CCCCCC3)c[nH+]c2c1 ZINC000414816161 433857349 /nfs/dbraw/zinc/85/73/49/433857349.db2.gz WKDYDPJLSORDKW-UHFFFAOYSA-N 2 2 300.450 3.045 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344291592 433859447 /nfs/dbraw/zinc/85/94/47/433859447.db2.gz NCPUXWZPJYDJQQ-WDSOQIARSA-N 2 2 316.489 3.209 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344291592 433859453 /nfs/dbraw/zinc/85/94/53/433859453.db2.gz NCPUXWZPJYDJQQ-WDSOQIARSA-N 2 2 316.489 3.209 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000293799812 433872072 /nfs/dbraw/zinc/87/20/72/433872072.db2.gz BWCDLLFXZYDEAP-INIZCTEOSA-N 2 2 321.424 3.358 20 0 DGADLP CCCCCOc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414875222 433896305 /nfs/dbraw/zinc/89/63/05/433896305.db2.gz ZWNDXIDWCDKMON-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)cc2)cc1 ZINC000414876643 433899522 /nfs/dbraw/zinc/89/95/22/433899522.db2.gz DRHAYBDYNLFZLA-UXHICEINSA-N 2 2 310.441 3.239 20 0 DGADLP Oc1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000302907339 433902362 /nfs/dbraw/zinc/90/23/62/433902362.db2.gz PNERSUPRKCFVPX-IBGZPJMESA-N 2 2 310.441 3.189 20 0 DGADLP Oc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000302907339 433902369 /nfs/dbraw/zinc/90/23/69/433902369.db2.gz PNERSUPRKCFVPX-IBGZPJMESA-N 2 2 310.441 3.189 20 0 DGADLP CC(C)c1nc(N2CC[C@H]([NH+]3CC=CC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000302899369 433902461 /nfs/dbraw/zinc/90/24/61/433902461.db2.gz QEDBELRIXDILFU-HNNXBMFYSA-N 2 2 314.477 3.348 20 0 DGADLP Clc1ccc(Br)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414912014 433912713 /nfs/dbraw/zinc/91/27/13/433912713.db2.gz XNFWDBNJJCPDJB-GFCCVEGCSA-N 2 2 317.658 3.334 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293896384 433913654 /nfs/dbraw/zinc/91/36/54/433913654.db2.gz ZJVRSVRDQXQLNU-LSDHHAIUSA-N 3 2 300.450 3.029 20 0 DGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)C[NH3+] ZINC000414930937 433919013 /nfs/dbraw/zinc/91/90/13/433919013.db2.gz PLZMMXVNXRFHLC-MRXNPFEDSA-N 2 2 320.440 3.285 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414923625 433921531 /nfs/dbraw/zinc/92/15/31/433921531.db2.gz ITFYPRZXEFPHIQ-SJLPKXTDSA-N 3 2 321.896 3.164 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414932328 433921812 /nfs/dbraw/zinc/92/18/12/433921812.db2.gz QVXCASQSFCHHCS-HNAYVOBHSA-N 2 2 320.440 3.113 20 0 DGADLP CCc1ccc([C@H](C[NH2+]Cc2ccc(OC)nc2)[NH+](C)C)cc1 ZINC000436275414 433926835 /nfs/dbraw/zinc/92/68/35/433926835.db2.gz OTVAQPPUGNPBJH-SFHVURJKSA-N 2 2 313.445 3.045 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414942172 433928828 /nfs/dbraw/zinc/92/88/28/433928828.db2.gz BJQSDROAIBZNCF-DNVCBOLYSA-N 2 2 310.441 3.103 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000414955043 433936059 /nfs/dbraw/zinc/93/60/59/433936059.db2.gz TXWYVYIZBBQMJZ-SKDRFNHKSA-N 2 2 317.658 3.333 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2)cc1F ZINC000414946984 433931265 /nfs/dbraw/zinc/93/12/65/433931265.db2.gz KEDIVAXCDUGBDP-YJBOKZPZSA-N 2 2 302.368 3.200 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955459 433934517 /nfs/dbraw/zinc/93/45/17/433934517.db2.gz UHTCHDHVTCNJCY-YJBOKZPZSA-N 2 2 320.358 3.339 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C[NH3+] ZINC000422641620 433934572 /nfs/dbraw/zinc/93/45/72/433934572.db2.gz YCOAFXVYCZWGSX-HZSPNIEDSA-N 2 2 317.408 3.286 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@H]1C[NH3+] ZINC000422641620 433934580 /nfs/dbraw/zinc/93/45/80/433934580.db2.gz YCOAFXVYCZWGSX-HZSPNIEDSA-N 2 2 317.408 3.286 20 0 DGADLP CCc1nc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc(C)[nH+]1 ZINC000339978818 433881146 /nfs/dbraw/zinc/88/11/46/433881146.db2.gz UTPMXIPHOBTTCH-QGZVFWFLSA-N 2 2 310.445 3.596 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414850914 433883445 /nfs/dbraw/zinc/88/34/45/433883445.db2.gz ITPQCUUSYCUVKI-JSGCOSHPSA-N 2 2 319.449 3.427 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1O ZINC000414853422 433884592 /nfs/dbraw/zinc/88/45/92/433884592.db2.gz XVVBLVZKPMYAGW-KRWDZBQOSA-N 2 2 314.429 3.314 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC1CCCC1 ZINC000422710407 433945367 /nfs/dbraw/zinc/94/53/67/433945367.db2.gz LEWSUNCEPZLKIL-PBHICJAKSA-N 2 2 318.461 3.104 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)cn2c1 ZINC000422720818 433950374 /nfs/dbraw/zinc/95/03/74/433950374.db2.gz TYGKJOFPVLGPMI-HOTGVXAUSA-N 2 2 300.450 3.043 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(Br)c1 ZINC000414980875 433951917 /nfs/dbraw/zinc/95/19/17/433951917.db2.gz XBCDFRDTZYUAOX-AWEZNQCLSA-N 2 2 311.267 3.235 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)s1 ZINC000422731705 433955140 /nfs/dbraw/zinc/95/51/40/433955140.db2.gz OAUIOFYXSUHBEE-UTUOFQBUSA-N 2 2 302.871 3.209 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)s1 ZINC000422731706 433955849 /nfs/dbraw/zinc/95/58/49/433955849.db2.gz OAUIOFYXSUHBEE-WOPDTQHZSA-N 2 2 302.871 3.209 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)n1 ZINC000415003992 433967320 /nfs/dbraw/zinc/96/73/20/433967320.db2.gz NORKVWLRRVBRKF-GOEBONIOSA-N 2 2 319.449 3.074 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340186931 433969150 /nfs/dbraw/zinc/96/91/50/433969150.db2.gz YQBNEDGNTWLQPT-WOJBJXKFSA-N 3 2 315.505 3.286 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340186931 433969158 /nfs/dbraw/zinc/96/91/58/433969158.db2.gz YQBNEDGNTWLQPT-WOJBJXKFSA-N 3 2 315.505 3.286 20 0 DGADLP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000285500986 433972796 /nfs/dbraw/zinc/97/27/96/433972796.db2.gz CQMLNMSJWVKRJD-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415108804 433973796 /nfs/dbraw/zinc/97/37/96/433973796.db2.gz PCKNLQCGGWPAOX-PWRODBHTSA-N 2 2 323.484 3.372 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C1CCCC1 ZINC000415064976 433974042 /nfs/dbraw/zinc/97/40/42/433974042.db2.gz LWWYABIJASUQFO-CQSZACIVSA-N 2 2 304.331 3.452 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000415067827 433975985 /nfs/dbraw/zinc/97/59/85/433975985.db2.gz PYHLANZSZOCYKZ-AHRSYUTCSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067827 433976012 /nfs/dbraw/zinc/97/60/12/433976012.db2.gz PYHLANZSZOCYKZ-AHRSYUTCSA-N 3 2 315.505 3.147 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422764493 433983093 /nfs/dbraw/zinc/98/30/93/433983093.db2.gz VAIBOTJWUOYBFW-HKUYNNGSSA-N 3 2 320.440 3.469 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772926 433988628 /nfs/dbraw/zinc/98/86/28/433988628.db2.gz ZHRBOYPDIZSOKC-ZJPYXAASSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772926 433988641 /nfs/dbraw/zinc/98/86/41/433988641.db2.gz ZHRBOYPDIZSOKC-ZJPYXAASSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422775219 433989917 /nfs/dbraw/zinc/98/99/17/433989917.db2.gz ARRGIOGEXQUIRI-FCGDIQPGSA-N 3 2 307.526 3.007 20 0 DGADLP CCCC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(OC)cc1 ZINC000422701430 433939994 /nfs/dbraw/zinc/93/99/94/433939994.db2.gz BXYJIRPYLGFAFM-IEZWGBDMSA-N 2 2 320.477 3.283 20 0 DGADLP CCc1ccc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)cn1 ZINC000352256933 434011289 /nfs/dbraw/zinc/01/12/89/434011289.db2.gz NCTBCVSWFVPPGW-UHFFFAOYSA-N 2 2 308.429 3.482 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000352260925 434011495 /nfs/dbraw/zinc/01/14/95/434011495.db2.gz GMUWPUMFHBWRLG-RNIVLKNTSA-N 2 2 313.445 3.359 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833883 434012191 /nfs/dbraw/zinc/01/21/91/434012191.db2.gz HLUCULHMYUAUQY-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833883 434012202 /nfs/dbraw/zinc/01/22/02/434012202.db2.gz HLUCULHMYUAUQY-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833883 434012207 /nfs/dbraw/zinc/01/22/07/434012207.db2.gz HLUCULHMYUAUQY-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833883 434012214 /nfs/dbraw/zinc/01/22/14/434012214.db2.gz HLUCULHMYUAUQY-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841090 434016460 /nfs/dbraw/zinc/01/64/60/434016460.db2.gz YPMZCUVRDQSURY-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841090 434016470 /nfs/dbraw/zinc/01/64/70/434016470.db2.gz YPMZCUVRDQSURY-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841090 434016478 /nfs/dbraw/zinc/01/64/78/434016478.db2.gz YPMZCUVRDQSURY-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841090 434016484 /nfs/dbraw/zinc/01/64/84/434016484.db2.gz YPMZCUVRDQSURY-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806843 434020667 /nfs/dbraw/zinc/02/06/67/434020667.db2.gz NXMYZFFEHMHBSK-YESZJQIVSA-N 2 2 301.459 3.085 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000377890693 434030237 /nfs/dbraw/zinc/03/02/37/434030237.db2.gz XUTUWJDUHWVSPI-CQSZACIVSA-N 2 2 321.371 3.054 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000377890693 434030245 /nfs/dbraw/zinc/03/02/45/434030245.db2.gz XUTUWJDUHWVSPI-CQSZACIVSA-N 2 2 321.371 3.054 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000422837049 434039691 /nfs/dbraw/zinc/03/96/91/434039691.db2.gz LCVHPNYBDNWABO-XOKHGSTOSA-N 2 2 308.441 3.270 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000422837050 434043151 /nfs/dbraw/zinc/04/31/51/434043151.db2.gz LCVHPNYBDNWABO-XYPHTWIQSA-N 2 2 308.441 3.270 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000422836947 434043898 /nfs/dbraw/zinc/04/38/98/434043898.db2.gz LCVHPNYBDNWABO-COXVUDFISA-N 2 2 308.441 3.270 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422862086 434061810 /nfs/dbraw/zinc/06/18/10/434061810.db2.gz NJQLSAZPCUEISP-HNNXBMFYSA-N 3 2 312.461 3.185 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422862086 434061819 /nfs/dbraw/zinc/06/18/19/434061819.db2.gz NJQLSAZPCUEISP-HNNXBMFYSA-N 3 2 312.461 3.185 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422859976 434061983 /nfs/dbraw/zinc/06/19/83/434061983.db2.gz KUQDJJNNILQYMN-DYESRHJHSA-N 2 2 324.468 3.491 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422863751 434063267 /nfs/dbraw/zinc/06/32/67/434063267.db2.gz LULHOOJPHZLJKF-BXEVVDMOSA-N 3 2 310.445 3.114 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422865721 434065083 /nfs/dbraw/zinc/06/50/83/434065083.db2.gz PLRJXIONJJIPAP-CABCVRRESA-N 2 2 316.474 3.244 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000422872420 434070008 /nfs/dbraw/zinc/07/00/08/434070008.db2.gz HBHIXALWVJJBPE-SIXWZSSISA-N 2 2 320.452 3.414 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000422878358 434074990 /nfs/dbraw/zinc/07/49/90/434074990.db2.gz STHPGTQQLAWIKZ-MDASCCDHSA-N 2 2 320.452 3.414 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccnc2)ccc1F ZINC000423205638 293915959 /nfs/dbraw/zinc/91/59/59/293915959.db2.gz FHOZXNOBYRLPFN-BEFAXECRSA-N 2 2 313.420 3.208 20 0 DGADLP Cc1cc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccnc2)ccc1F ZINC000423205640 293915967 /nfs/dbraw/zinc/91/59/67/293915967.db2.gz FHOZXNOBYRLPFN-HNAYVOBHSA-N 2 2 313.420 3.208 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422879659 434079085 /nfs/dbraw/zinc/07/90/85/434079085.db2.gz VVWDDGWVXXSTLV-SUYBPPKGSA-N 2 2 312.404 3.019 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422886547 434080179 /nfs/dbraw/zinc/08/01/79/434080179.db2.gz WWVOIRNTIOBKLL-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886547 434080191 /nfs/dbraw/zinc/08/01/91/434080191.db2.gz WWVOIRNTIOBKLL-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000422886408 434083460 /nfs/dbraw/zinc/08/34/60/434083460.db2.gz WROQBDGRXPFATB-SJORKVTESA-N 2 2 303.450 3.045 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000422891333 434086399 /nfs/dbraw/zinc/08/63/99/434086399.db2.gz VERHMPAMPKTZEA-KTLDDFEXSA-N 2 2 316.489 3.317 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422892326 434088325 /nfs/dbraw/zinc/08/83/25/434088325.db2.gz MTACCUIRZQKCFN-INDMIFKZSA-N 3 2 307.526 3.007 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422904979 434095181 /nfs/dbraw/zinc/09/51/81/434095181.db2.gz REOLKJYBSPEHHY-FCLVOEFKSA-N 2 2 318.461 3.036 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCCOC)[C@@H]1CCC[NH2+]1 ZINC000422851303 434049756 /nfs/dbraw/zinc/04/97/56/434049756.db2.gz FEOMJKZOAKQPRH-MSOLQXFVSA-N 2 2 320.477 3.031 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422859979 434060673 /nfs/dbraw/zinc/06/06/73/434060673.db2.gz KUQDJJNNILQYMN-LAUBAEHRSA-N 2 2 324.468 3.491 20 0 DGADLP Cn1nc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000309907708 434104529 /nfs/dbraw/zinc/10/45/29/434104529.db2.gz DGNGWKLVJXONPC-UHFFFAOYSA-N 2 2 322.456 3.185 20 0 DGADLP Cn1nc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000309907708 434104538 /nfs/dbraw/zinc/10/45/38/434104538.db2.gz DGNGWKLVJXONPC-UHFFFAOYSA-N 2 2 322.456 3.185 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(Br)cc1Cl)C[NH+](C)C ZINC000310172900 434108853 /nfs/dbraw/zinc/10/88/53/434108853.db2.gz UMZVROYTSVCJSZ-JTQLQIEISA-N 2 2 319.674 3.390 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652266 434112804 /nfs/dbraw/zinc/11/28/04/434112804.db2.gz UADYPJRYTZUWIN-QGZVFWFLSA-N 2 2 310.869 3.180 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652266 434112811 /nfs/dbraw/zinc/11/28/11/434112811.db2.gz UADYPJRYTZUWIN-QGZVFWFLSA-N 2 2 310.869 3.180 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422930035 434117005 /nfs/dbraw/zinc/11/70/05/434117005.db2.gz AUBKFTRVJOSSMJ-RLFYNMQTSA-N 2 2 317.477 3.291 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(C)C ZINC000340419818 434119082 /nfs/dbraw/zinc/11/90/82/434119082.db2.gz XHMKJENZDHIGLU-DLBZAZTESA-N 2 2 318.461 3.199 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(C)C ZINC000340419818 434119089 /nfs/dbraw/zinc/11/90/89/434119089.db2.gz XHMKJENZDHIGLU-DLBZAZTESA-N 2 2 318.461 3.199 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000493667785 294002433 /nfs/dbraw/zinc/00/24/33/294002433.db2.gz ADCQJIFDEQVHKW-JVPBZIDWSA-N 2 2 304.453 3.465 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000493667785 294002434 /nfs/dbraw/zinc/00/24/34/294002434.db2.gz ADCQJIFDEQVHKW-JVPBZIDWSA-N 2 2 304.453 3.465 20 0 DGADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936491 434121895 /nfs/dbraw/zinc/12/18/95/434121895.db2.gz IJEAJBISNRXVJS-RHSMWYFYSA-N 2 2 318.461 3.247 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309957036 434101772 /nfs/dbraw/zinc/10/17/72/434101772.db2.gz SXLHCLGWZMAYPB-QYZOEREBSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309957036 434101778 /nfs/dbraw/zinc/10/17/78/434101778.db2.gz SXLHCLGWZMAYPB-QYZOEREBSA-N 2 2 302.462 3.056 20 0 DGADLP CCn1c[nH+]cc1CNc1[nH+]c2ccccc2n1C1CCCC1 ZINC000416429708 434124761 /nfs/dbraw/zinc/12/47/61/434124761.db2.gz ZRTVRSFOHQWYKJ-UHFFFAOYSA-N 2 2 309.417 3.980 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940772 434123804 /nfs/dbraw/zinc/12/38/04/434123804.db2.gz IZUMZYNEHBMWOA-KBMXLJTQSA-N 2 2 304.434 3.029 20 0 DGADLP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503107695 294185610 /nfs/dbraw/zinc/18/56/10/294185610.db2.gz GXHIJSHXTHDZQT-CEXWTWQISA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503107695 294185615 /nfs/dbraw/zinc/18/56/15/294185615.db2.gz GXHIJSHXTHDZQT-CEXWTWQISA-N 2 2 306.494 3.023 20 0 DGADLP C[C@H]([NH2+]Cc1sccc1Br)c1c[nH+]ccc1N ZINC000422943862 434127572 /nfs/dbraw/zinc/12/75/72/434127572.db2.gz LCHHQYTYYOSMDD-QMMMGPOBSA-N 2 2 312.236 3.169 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000507484704 294300590 /nfs/dbraw/zinc/30/05/90/294300590.db2.gz JYRRLXPUNRBEQO-SNRMKQJTSA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509265420 294345101 /nfs/dbraw/zinc/34/51/01/294345101.db2.gz VOACKSQFXIMKDR-FQEVSTJZSA-N 2 2 315.505 3.319 20 0 DGADLP CC(C)[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509265420 294345104 /nfs/dbraw/zinc/34/51/04/294345104.db2.gz VOACKSQFXIMKDR-FQEVSTJZSA-N 2 2 315.505 3.319 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000510503148 294385137 /nfs/dbraw/zinc/38/51/37/294385137.db2.gz RUSLEMIRKCQCIO-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP COCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000510990820 294398522 /nfs/dbraw/zinc/39/85/22/294398522.db2.gz FAAUVKQTVWBPST-AWEZNQCLSA-N 2 2 324.431 3.444 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]1 ZINC000422960370 434136370 /nfs/dbraw/zinc/13/63/70/434136370.db2.gz WBUJHYIGCGZWIO-LKTVYLICSA-N 2 2 309.251 3.167 20 0 DGADLP CCc1noc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340443615 434136747 /nfs/dbraw/zinc/13/67/47/434136747.db2.gz YNZXMYCAXXDFKQ-LPHOPBHVSA-N 2 2 313.445 3.471 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000457385776 434137964 /nfs/dbraw/zinc/13/79/64/434137964.db2.gz VZWYPOIWNQUOLK-UHFFFAOYSA-N 2 2 322.412 3.005 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCC(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000422969120 434142426 /nfs/dbraw/zinc/14/24/26/434142426.db2.gz TUOQFKZINDAICK-HUUCEWRRSA-N 2 2 316.367 3.420 20 0 DGADLP CCOc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422968762 434142785 /nfs/dbraw/zinc/14/27/85/434142785.db2.gz XNHBVBOMHOHQAT-MSOLQXFVSA-N 2 2 311.429 3.063 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccncc2F)[C@@H](C)C1 ZINC000340475992 434152237 /nfs/dbraw/zinc/15/22/37/434152237.db2.gz DSOOYSYTGGDIPU-MPGHIAIKSA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccncc2F)[C@@H](C)C1 ZINC000340475992 434152243 /nfs/dbraw/zinc/15/22/43/434152243.db2.gz DSOOYSYTGGDIPU-MPGHIAIKSA-N 2 2 323.456 3.008 20 0 DGADLP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422997610 434158286 /nfs/dbraw/zinc/15/82/86/434158286.db2.gz ONXRSRCUDZPKHU-YDZRNGNQSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422997610 434158296 /nfs/dbraw/zinc/15/82/96/434158296.db2.gz ONXRSRCUDZPKHU-YDZRNGNQSA-N 3 2 307.526 3.007 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCCO3)c2ccccc21 ZINC000422993898 434158419 /nfs/dbraw/zinc/15/84/19/434158419.db2.gz UGDCVDMONPKPAZ-DLBZAZTESA-N 2 2 310.397 3.082 20 0 DGADLP CCc1ccc([C@H](COC)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000423003025 434163434 /nfs/dbraw/zinc/16/34/34/434163434.db2.gz GSCSKZHOEQVOGW-ZOBUZTSGSA-N 2 2 308.466 3.430 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063839 434172171 /nfs/dbraw/zinc/17/21/71/434172171.db2.gz YZYHEMLXTYRSGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063839 434172184 /nfs/dbraw/zinc/17/21/84/434172184.db2.gz YZYHEMLXTYRSGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000295063839 434172191 /nfs/dbraw/zinc/17/21/91/434172191.db2.gz YZYHEMLXTYRSGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCCS2)[C@H]2CCC[NH2+]2)cc1 ZINC000423027340 434172177 /nfs/dbraw/zinc/17/21/77/434172177.db2.gz DBLLAWUBHRNFOE-KURKYZTESA-N 2 2 320.502 3.364 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000295063839 434172200 /nfs/dbraw/zinc/17/22/00/434172200.db2.gz YZYHEMLXTYRSGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP CCOC(=O)CC(C)(C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346178827 434175636 /nfs/dbraw/zinc/17/56/36/434175636.db2.gz SWPHQFSGIMTOGU-UHFFFAOYSA-N 2 2 321.446 3.097 20 0 DGADLP CCOC(=O)CC(C)(C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346178827 434175646 /nfs/dbraw/zinc/17/56/46/434175646.db2.gz SWPHQFSGIMTOGU-UHFFFAOYSA-N 2 2 321.446 3.097 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C12CCCCC2 ZINC000315867195 434177586 /nfs/dbraw/zinc/17/75/86/434177586.db2.gz IFNGXTTYJHXEAV-IRXDYDNUSA-N 2 2 305.466 3.381 20 0 DGADLP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000295065534 434178880 /nfs/dbraw/zinc/17/88/80/434178880.db2.gz GWHFJDIDQVBPHF-OAHLLOKOSA-N 2 2 323.431 3.461 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000378439808 434179358 /nfs/dbraw/zinc/17/93/58/434179358.db2.gz VHIZHDAFBNYONA-SFHVURJKSA-N 2 2 320.440 3.041 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000378439808 434179369 /nfs/dbraw/zinc/17/93/69/434179369.db2.gz VHIZHDAFBNYONA-SFHVURJKSA-N 2 2 320.440 3.041 20 0 DGADLP COCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C)o1 ZINC000423049900 434186979 /nfs/dbraw/zinc/18/69/79/434186979.db2.gz YIWHNCJHEWHTGM-ULQDDVLXSA-N 2 2 300.402 3.400 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423052806 434190858 /nfs/dbraw/zinc/19/08/58/434190858.db2.gz RFOFGUDWGJNQTQ-BMIGLBTASA-N 2 2 322.250 3.018 20 0 DGADLP c1ccc(-c2cnc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000423054867 434191662 /nfs/dbraw/zinc/19/16/62/434191662.db2.gz VKWZNEYKHCVVIM-GBESFXJTSA-N 2 2 322.456 3.154 20 0 DGADLP CC(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccoc1 ZINC000353518648 434194416 /nfs/dbraw/zinc/19/44/16/434194416.db2.gz LHVMLXSIODZQQB-RBUKOAKNSA-N 2 2 322.493 3.439 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cn[nH]c2)c(C)c1 ZINC000340541174 434195086 /nfs/dbraw/zinc/19/50/86/434195086.db2.gz JHAYCQRQZGMDAM-CRAIPNDOSA-N 2 2 309.417 3.315 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423060105 434197329 /nfs/dbraw/zinc/19/73/29/434197329.db2.gz NOZBWLKMQRHBQH-OPRDCNLKSA-N 2 2 303.269 3.302 20 0 DGADLP Cc1cc(C)cc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000317153424 434199470 /nfs/dbraw/zinc/19/94/70/434199470.db2.gz LQRJJKCEBFQVDN-UHFFFAOYSA-N 2 2 302.462 3.146 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423068762 434204461 /nfs/dbraw/zinc/20/44/61/434204461.db2.gz CNQZNEGMSPLFPF-NXWXRZEISA-N 2 2 302.462 3.069 20 0 DGADLP CC[C@H](COCC(F)(F)F)[NH2+]CCCc1c[nH+]ccc1C ZINC000295110250 434205129 /nfs/dbraw/zinc/20/51/29/434205129.db2.gz LMYMGPAWDZNKKU-CQSZACIVSA-N 2 2 304.356 3.270 20 0 DGADLP C[C@H](CCCCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295124325 434212216 /nfs/dbraw/zinc/21/22/16/434212216.db2.gz XCJVQGPKNGSTMK-OAHLLOKOSA-N 2 2 324.896 3.445 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000437090560 434216783 /nfs/dbraw/zinc/21/67/83/434216783.db2.gz IXMQJVURYGSLPD-DOTOQJQBSA-N 2 2 301.478 3.246 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000437090560 434216795 /nfs/dbraw/zinc/21/67/95/434216795.db2.gz IXMQJVURYGSLPD-DOTOQJQBSA-N 2 2 301.478 3.246 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353544871 434217320 /nfs/dbraw/zinc/21/73/20/434217320.db2.gz RGSIFXDKRMKJCN-DAYGRLMNSA-N 2 2 323.456 3.007 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353544871 434217323 /nfs/dbraw/zinc/21/73/23/434217323.db2.gz RGSIFXDKRMKJCN-DAYGRLMNSA-N 2 2 323.456 3.007 20 0 DGADLP c1ccc(COc2cnccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423101088 434219410 /nfs/dbraw/zinc/21/94/10/434219410.db2.gz HYTMZCIOUHTRJO-DFNIBXOVSA-N 2 2 323.440 3.033 20 0 DGADLP CC1(C)CCC(O)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000321050404 434246065 /nfs/dbraw/zinc/24/60/65/434246065.db2.gz XNXASBGBSISWEJ-UHFFFAOYSA-N 2 2 313.445 3.293 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000320941386 434247452 /nfs/dbraw/zinc/24/74/52/434247452.db2.gz ZDCKHACEFXYNAI-PMACEKPBSA-N 2 2 315.505 3.143 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000320941386 434247457 /nfs/dbraw/zinc/24/74/57/434247457.db2.gz ZDCKHACEFXYNAI-PMACEKPBSA-N 2 2 315.505 3.143 20 0 DGADLP C[C@@H]([NH2+]C/C=C\c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423158016 434252952 /nfs/dbraw/zinc/25/29/52/434252952.db2.gz NOFGNEWOXAMEJE-GFEROUPYSA-N 2 2 309.251 3.192 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423152820 434254226 /nfs/dbraw/zinc/25/42/26/434254226.db2.gz MNCCVEVKLKVZDX-OALUTQOASA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000353594842 434256147 /nfs/dbraw/zinc/25/61/47/434256147.db2.gz HVRRRVATVBKJDY-HNNXBMFYSA-N 2 2 307.397 3.488 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379636740 434256867 /nfs/dbraw/zinc/25/68/67/434256867.db2.gz XUQHBMATIUYVFQ-VBSBHUPXSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636740 434256876 /nfs/dbraw/zinc/25/68/76/434256876.db2.gz XUQHBMATIUYVFQ-VBSBHUPXSA-N 3 2 315.505 3.147 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CCSC1 ZINC000286398576 434257148 /nfs/dbraw/zinc/25/71/48/434257148.db2.gz HFQXPHXRBLHTCI-QDLOVBKTSA-N 2 2 312.429 3.005 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000423160893 434258295 /nfs/dbraw/zinc/25/82/95/434258295.db2.gz RELHASVLEMGAAE-LVFSCSRESA-N 2 2 310.441 3.447 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000423167466 434261466 /nfs/dbraw/zinc/26/14/66/434261466.db2.gz WSEISJJSWUJENA-MDNKFWRPSA-N 2 2 316.489 3.317 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000423177591 434268236 /nfs/dbraw/zinc/26/82/36/434268236.db2.gz AXVLGWSLXKDVOA-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP FC(F)(F)Oc1cccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423187605 434270493 /nfs/dbraw/zinc/27/04/93/434270493.db2.gz KXNOWNUOGXGDOC-DZGCQCFKSA-N 2 2 314.351 3.378 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423111309 434225730 /nfs/dbraw/zinc/22/57/30/434225730.db2.gz ISHBJZWGTMKUQW-LZLYRXPVSA-N 2 2 303.494 3.003 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111309 434225740 /nfs/dbraw/zinc/22/57/40/434225740.db2.gz ISHBJZWGTMKUQW-LZLYRXPVSA-N 2 2 303.494 3.003 20 0 DGADLP O=C(CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000450500816 434229144 /nfs/dbraw/zinc/22/91/44/434229144.db2.gz OJNBXPPQFMTJOV-SFHVURJKSA-N 2 2 310.397 3.198 20 0 DGADLP O=C(CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000450500816 434229156 /nfs/dbraw/zinc/22/91/56/434229156.db2.gz OJNBXPPQFMTJOV-SFHVURJKSA-N 2 2 310.397 3.198 20 0 DGADLP C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000423113878 434230044 /nfs/dbraw/zinc/23/00/44/434230044.db2.gz UVMPOZNNJADGCU-WKPIXPDZSA-N 2 2 317.260 3.147 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423114039 434230357 /nfs/dbraw/zinc/23/03/57/434230357.db2.gz ZUBARICSIZLEAY-SJORKVTESA-N 2 2 305.441 3.176 20 0 DGADLP c1ccc(OC2CC2)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000450500819 434230394 /nfs/dbraw/zinc/23/03/94/434230394.db2.gz OKEWTGUHPHMNBM-SFHVURJKSA-N 2 2 310.397 3.276 20 0 DGADLP c1ccc(OC2CC2)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000450500819 434230407 /nfs/dbraw/zinc/23/04/07/434230407.db2.gz OKEWTGUHPHMNBM-SFHVURJKSA-N 2 2 310.397 3.276 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000423123352 434231970 /nfs/dbraw/zinc/23/19/70/434231970.db2.gz LGIBHCINHPHJQY-RBSFLKMASA-N 2 2 316.420 3.397 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)c2ccccc21 ZINC000423134652 434239246 /nfs/dbraw/zinc/23/92/46/434239246.db2.gz XHVCJIWDIASUBV-SQNIBIBYSA-N 2 2 316.832 3.498 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358004837 434281790 /nfs/dbraw/zinc/28/17/90/434281790.db2.gz LCKPIUJDHBPQEQ-AHRSYUTCSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358004837 434281797 /nfs/dbraw/zinc/28/17/97/434281797.db2.gz LCKPIUJDHBPQEQ-AHRSYUTCSA-N 2 2 316.489 3.084 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423210947 434284364 /nfs/dbraw/zinc/28/43/64/434284364.db2.gz KHWPAUVHENFMCS-KGLIPLIRSA-N 2 2 301.459 3.460 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCCC2 ZINC000423209526 434284571 /nfs/dbraw/zinc/28/45/71/434284571.db2.gz GICUIFWBEYPACE-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009255 434284579 /nfs/dbraw/zinc/28/45/79/434284579.db2.gz VEIKWJBLHGREBF-QFBILLFUSA-N 2 2 304.478 3.084 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009255 434284589 /nfs/dbraw/zinc/28/45/89/434284589.db2.gz VEIKWJBLHGREBF-QFBILLFUSA-N 2 2 304.478 3.084 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000358010420 434287751 /nfs/dbraw/zinc/28/77/51/434287751.db2.gz XFZPNYWKPDBSTO-GOEBONIOSA-N 2 2 318.461 3.371 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000358010420 434287758 /nfs/dbraw/zinc/28/77/58/434287758.db2.gz XFZPNYWKPDBSTO-GOEBONIOSA-N 2 2 318.461 3.371 20 0 DGADLP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2Nc1ccc2c(c1)CC[NH2+]2 ZINC000423221504 434294882 /nfs/dbraw/zinc/29/48/82/434294882.db2.gz WWFHYCUYEWPKQE-ICSRJNTNSA-N 2 2 321.424 3.322 20 0 DGADLP C[NH+]1CCC([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000358028664 434296403 /nfs/dbraw/zinc/29/64/03/434296403.db2.gz XOFAGLXXUHLMHH-IBGZPJMESA-N 2 2 323.440 3.050 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423229825 434298648 /nfs/dbraw/zinc/29/86/48/434298648.db2.gz CENYBHNEWYFUJM-GXTWGEPZSA-N 2 2 302.340 3.378 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423232421 434301386 /nfs/dbraw/zinc/30/13/86/434301386.db2.gz CEQKJPONVQOPOS-GUYCJALGSA-N 2 2 323.440 3.267 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000423235577 434303050 /nfs/dbraw/zinc/30/30/50/434303050.db2.gz GOMGDAQAFIDVQC-CXAGYDPISA-N 2 2 300.402 3.054 20 0 DGADLP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)s1 ZINC000423239096 434303253 /nfs/dbraw/zinc/30/32/53/434303253.db2.gz RUTFUCNNLNWZOF-ZWNOBZJWSA-N 2 2 315.280 3.303 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccccc1 ZINC000423237281 434305940 /nfs/dbraw/zinc/30/59/40/434305940.db2.gz IAXXJZTWRCIYGR-IRXDYDNUSA-N 2 2 300.377 3.329 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1 ZINC000423234230 434306922 /nfs/dbraw/zinc/30/69/22/434306922.db2.gz PFBWLSZCXIBPLR-KRWDZBQOSA-N 2 2 314.408 3.194 20 0 DGADLP c1ccc([C@H]2CC[C@@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)cc1 ZINC000423238049 434306972 /nfs/dbraw/zinc/30/69/72/434306972.db2.gz UYXLUTTYVHTXIB-ZWKOTPCHSA-N 2 2 322.456 3.239 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)n1C ZINC000516982208 294646759 /nfs/dbraw/zinc/64/67/59/294646759.db2.gz XJNNPEVEPODPMU-UHFFFAOYSA-N 2 2 311.351 3.470 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000423241337 434308896 /nfs/dbraw/zinc/30/88/96/434308896.db2.gz HSUMILGAUZLOAP-ZDUSSCGKSA-N 2 2 303.219 3.238 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000348425414 434318353 /nfs/dbraw/zinc/31/83/53/434318353.db2.gz RYSNQAVEFZFKPD-OAQYLSRUSA-N 2 2 324.468 3.392 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000348425414 434318358 /nfs/dbraw/zinc/31/83/58/434318358.db2.gz RYSNQAVEFZFKPD-OAQYLSRUSA-N 2 2 324.468 3.392 20 0 DGADLP C[N@H+](CC[NH+]1CCC2(CCOCC2)CC1)Cc1ccccc1 ZINC000295346293 434319475 /nfs/dbraw/zinc/31/94/75/434319475.db2.gz NLEKXZFTKKBDQH-UHFFFAOYSA-N 2 2 302.462 3.011 20 0 DGADLP C[N@@H+](CC[NH+]1CCC2(CCOCC2)CC1)Cc1ccccc1 ZINC000295346293 434319484 /nfs/dbraw/zinc/31/94/84/434319484.db2.gz NLEKXZFTKKBDQH-UHFFFAOYSA-N 2 2 302.462 3.011 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1nc2ccccc2n1C ZINC000423257836 434320834 /nfs/dbraw/zinc/32/08/34/434320834.db2.gz AHOKCORCDTUKHU-CZUORRHYSA-N 2 2 300.450 3.132 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423262218 434322040 /nfs/dbraw/zinc/32/20/40/434322040.db2.gz MAPBOTQTSAAXKC-YSTOQKLRSA-N 3 2 315.505 3.145 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262218 434322047 /nfs/dbraw/zinc/32/20/47/434322047.db2.gz MAPBOTQTSAAXKC-YSTOQKLRSA-N 3 2 315.505 3.145 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000387488844 434322409 /nfs/dbraw/zinc/32/24/09/434322409.db2.gz WMBDFRXNLQKRFA-QRVBRYPASA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423266728 434323837 /nfs/dbraw/zinc/32/38/37/434323837.db2.gz CDESBBNEBNCAFK-PELKAZGASA-N 2 2 304.768 3.329 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000423268091 434325512 /nfs/dbraw/zinc/32/55/12/434325512.db2.gz FXZWXXXUADFMGD-IINYFYTJSA-N 2 2 315.255 3.092 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC000423262432 434325737 /nfs/dbraw/zinc/32/57/37/434325737.db2.gz MMOZCCHJTWDZJC-AHRSYUTCSA-N 2 2 315.505 3.147 20 0 DGADLP COC(=O)c1csc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423271874 434327326 /nfs/dbraw/zinc/32/73/26/434327326.db2.gz YGTRKIRXVIBKME-SMDDNHRTSA-N 2 2 310.463 3.093 20 0 DGADLP c1cc2c(nc[nH+]c2Nc2ccc(CC[NH+]3CCCC3)cc2)[nH]1 ZINC000517456494 294675530 /nfs/dbraw/zinc/67/55/30/294675530.db2.gz RAYIDOSPEKSUOE-UHFFFAOYSA-N 2 2 307.401 3.340 20 0 DGADLP CSc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358169545 434362659 /nfs/dbraw/zinc/36/26/59/434362659.db2.gz PNHBGUNCVIIBPY-CABCVRRESA-N 2 2 308.491 3.170 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423332339 434364257 /nfs/dbraw/zinc/36/42/57/434364257.db2.gz UZGKUCVWPIMPHM-ZDUSSCGKSA-N 2 2 322.449 3.441 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423330797 434365777 /nfs/dbraw/zinc/36/57/77/434365777.db2.gz GIGWGHILHVEXOV-SJCJKPOMSA-N 2 2 320.868 3.267 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000366230189 434366740 /nfs/dbraw/zinc/36/67/40/434366740.db2.gz CAYBSUFPCQGNKM-NWANDNLSSA-N 2 2 324.465 3.061 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1Br ZINC000423336557 434369503 /nfs/dbraw/zinc/36/95/03/434369503.db2.gz URMXOVWHWKOCRJ-VIFPVBQESA-N 2 2 301.203 3.120 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000287482161 434371568 /nfs/dbraw/zinc/37/15/68/434371568.db2.gz KETVKIVZLNFVGA-CQSZACIVSA-N 2 2 304.438 3.084 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295465138 434373670 /nfs/dbraw/zinc/37/36/70/434373670.db2.gz RCLKYMYBGJRTHQ-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295465138 434373673 /nfs/dbraw/zinc/37/36/73/434373673.db2.gz RCLKYMYBGJRTHQ-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000450734843 434375180 /nfs/dbraw/zinc/37/51/80/434375180.db2.gz DJDDHNWLWIGENO-XYJFISCASA-N 2 2 302.462 3.404 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000450734843 434375185 /nfs/dbraw/zinc/37/51/85/434375185.db2.gz DJDDHNWLWIGENO-XYJFISCASA-N 2 2 302.462 3.404 20 0 DGADLP COC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423347921 434376648 /nfs/dbraw/zinc/37/66/48/434376648.db2.gz SFLUFZOPMHBANV-GOEBONIOSA-N 2 2 314.832 3.146 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000358191360 434378058 /nfs/dbraw/zinc/37/80/58/434378058.db2.gz OYRBFCLXDNWPKC-QGZVFWFLSA-N 2 2 308.441 3.366 20 0 DGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423357790 434381582 /nfs/dbraw/zinc/38/15/82/434381582.db2.gz ASRCNTZLUHOWHP-HNJNHCNJSA-N 2 2 320.383 3.224 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1OC(F)F ZINC000423369635 434385737 /nfs/dbraw/zinc/38/57/37/434385737.db2.gz GBNXUPPBTBRNCW-KWBADKCTSA-N 2 2 302.340 3.218 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423280358 434337684 /nfs/dbraw/zinc/33/76/84/434337684.db2.gz TYADEZUGOGCGAF-ZANVPECISA-N 2 2 303.219 3.222 20 0 DGADLP CS[C@@H]1CN(c2cc(C)[nH+]c3c(F)cccc23)C[C@@H]1[NH+](C)C ZINC000340753089 434343046 /nfs/dbraw/zinc/34/30/46/434343046.db2.gz KUIRDHVRFHDXGQ-JKSUJKDBSA-N 2 2 319.449 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000450689407 434344482 /nfs/dbraw/zinc/34/44/82/434344482.db2.gz XWWWOLCANJKRLL-NEPJUHHUSA-N 2 2 313.430 3.444 20 0 DGADLP Cc1nc(N2CCC(CCCn3cc[nH+]c3)CC2)c(C)c(C)[nH+]1 ZINC000340768330 434345814 /nfs/dbraw/zinc/34/58/14/434345814.db2.gz BNAKUVNAZRXNRW-UHFFFAOYSA-N 2 2 313.449 3.295 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150415 434346457 /nfs/dbraw/zinc/34/64/57/434346457.db2.gz DGIVFVRKEJQOHB-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150415 434346463 /nfs/dbraw/zinc/34/64/63/434346463.db2.gz DGIVFVRKEJQOHB-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150415 434346470 /nfs/dbraw/zinc/34/64/70/434346470.db2.gz DGIVFVRKEJQOHB-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150415 434346476 /nfs/dbraw/zinc/34/64/76/434346476.db2.gz DGIVFVRKEJQOHB-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000423304384 434348255 /nfs/dbraw/zinc/34/82/55/434348255.db2.gz YNQUJPHUWFUYIP-QZTJIDSGSA-N 2 2 301.409 3.417 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000423296996 434349785 /nfs/dbraw/zinc/34/97/85/434349785.db2.gz IHTUINUBLBNCMN-YSTOQKLRSA-N 3 2 315.505 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000423296996 434349795 /nfs/dbraw/zinc/34/97/95/434349795.db2.gz IHTUINUBLBNCMN-YSTOQKLRSA-N 3 2 315.505 3.004 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000340773549 434350268 /nfs/dbraw/zinc/35/02/68/434350268.db2.gz IQHVQNYGHPEGIV-CRAIPNDOSA-N 2 2 310.445 3.477 20 0 DGADLP O=C(Nc1ccccc1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000519138217 294753941 /nfs/dbraw/zinc/75/39/41/294753941.db2.gz FGVZQCQNEYXZLP-RBUKOAKNSA-N 2 2 323.440 3.098 20 0 DGADLP CSC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423311947 434354883 /nfs/dbraw/zinc/35/48/83/434354883.db2.gz CGWGNSAWVMPUNO-KBPBESRZSA-N 2 2 318.408 3.436 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)CCC2 ZINC000366207514 434355873 /nfs/dbraw/zinc/35/58/73/434355873.db2.gz CDGLMXMWQAOIFV-XJKSGUPXSA-N 2 2 301.409 3.429 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000450711472 434356348 /nfs/dbraw/zinc/35/63/48/434356348.db2.gz FDVGEKSAVWFYDL-CQSZACIVSA-N 2 2 310.511 3.433 20 0 DGADLP [NH3+][C@@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000423323881 434360182 /nfs/dbraw/zinc/36/01/82/434360182.db2.gz PCAFOEBUBQUMKE-KRWDZBQOSA-N 2 2 302.368 3.381 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423322116 434360794 /nfs/dbraw/zinc/36/07/94/434360794.db2.gz NOTJFEILIMUVJI-RDTXWAMCSA-N 2 2 312.461 3.185 20 0 DGADLP Cc1cc([C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)c2cccnc2)ccc1F ZINC000423394065 434400512 /nfs/dbraw/zinc/40/05/12/434400512.db2.gz ZKNKZOUXCRKBPW-BJZITVGISA-N 2 2 313.420 3.349 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752283 434401357 /nfs/dbraw/zinc/40/13/57/434401357.db2.gz RWDKNXGFSDZOJE-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752283 434401367 /nfs/dbraw/zinc/40/13/67/434401367.db2.gz RWDKNXGFSDZOJE-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752283 434401379 /nfs/dbraw/zinc/40/13/79/434401379.db2.gz RWDKNXGFSDZOJE-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752283 434401388 /nfs/dbraw/zinc/40/13/88/434401388.db2.gz RWDKNXGFSDZOJE-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000358659516 434401989 /nfs/dbraw/zinc/40/19/89/434401989.db2.gz FMGUCVYYEYDKOK-NEPXVJNWSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000358659516 434401996 /nfs/dbraw/zinc/40/19/96/434401996.db2.gz FMGUCVYYEYDKOK-NEPXVJNWSA-N 3 2 307.526 3.102 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092243 434403559 /nfs/dbraw/zinc/40/35/59/434403559.db2.gz JBQNQMKFKRKDHV-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092243 434403572 /nfs/dbraw/zinc/40/35/72/434403572.db2.gz JBQNQMKFKRKDHV-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092243 434403584 /nfs/dbraw/zinc/40/35/84/434403584.db2.gz JBQNQMKFKRKDHV-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092243 434403597 /nfs/dbraw/zinc/40/35/97/434403597.db2.gz JBQNQMKFKRKDHV-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000423399773 434403670 /nfs/dbraw/zinc/40/36/70/434403670.db2.gz UZXFXHPQMBPOPW-KKSFZXQISA-N 3 2 321.468 3.042 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000423399773 434403680 /nfs/dbraw/zinc/40/36/80/434403680.db2.gz UZXFXHPQMBPOPW-KKSFZXQISA-N 3 2 321.468 3.042 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423401448 434406799 /nfs/dbraw/zinc/40/67/99/434406799.db2.gz XQEHHLBHDMVOOR-QAPCUYQASA-N 2 2 320.477 3.141 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@H]1[NH3+] ZINC000394712039 434407648 /nfs/dbraw/zinc/40/76/48/434407648.db2.gz QPECEASNVULHPQ-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1[NH3+] ZINC000394712039 434407657 /nfs/dbraw/zinc/40/76/57/434407657.db2.gz QPECEASNVULHPQ-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cnn(C2CCCC2)c1 ZINC000423402036 434408121 /nfs/dbraw/zinc/40/81/21/434408121.db2.gz YBVVYIXMLPBMTN-PBHICJAKSA-N 2 2 304.482 3.427 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423430643 434420899 /nfs/dbraw/zinc/42/08/99/434420899.db2.gz PWIKLGDBYMFNOU-PMACEKPBSA-N 2 2 308.425 3.159 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423442523 434423741 /nfs/dbraw/zinc/42/37/41/434423741.db2.gz WTHZFXNJJXWBRG-UXHICEINSA-N 2 2 307.441 3.399 20 0 DGADLP Cc1cnc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000295604120 434424376 /nfs/dbraw/zinc/42/43/76/434424376.db2.gz FVGYETQRSLOANF-AWEZNQCLSA-N 2 2 303.475 3.452 20 0 DGADLP Cc1cnc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000295604120 434424387 /nfs/dbraw/zinc/42/43/87/434424387.db2.gz FVGYETQRSLOANF-AWEZNQCLSA-N 2 2 303.475 3.452 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)CCC[NH2+]1 ZINC000423442511 434425586 /nfs/dbraw/zinc/42/55/86/434425586.db2.gz WRWXZDLHNZIOAQ-IAQYHMDHSA-N 2 2 317.260 3.413 20 0 DGADLP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C(C)C)[nH+]1 ZINC000450828299 434428878 /nfs/dbraw/zinc/42/88/78/434428878.db2.gz MMMDCBBDKLLCLF-GOOCMWNKSA-N 2 2 302.466 3.182 20 0 DGADLP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C(C)C)[nH+]1 ZINC000450828299 434428888 /nfs/dbraw/zinc/42/88/88/434428888.db2.gz MMMDCBBDKLLCLF-GOOCMWNKSA-N 2 2 302.466 3.182 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cnc(C)cc2C)n1-c1ccccc1 ZINC000397104071 434429765 /nfs/dbraw/zinc/42/97/65/434429765.db2.gz QNUHWXPDWIPRGE-UHFFFAOYSA-N 2 2 306.413 3.482 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000438191080 434434525 /nfs/dbraw/zinc/43/45/25/434434525.db2.gz PRXSNHIFCSKRFH-HNNXBMFYSA-N 2 2 322.468 3.236 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423474577 434441833 /nfs/dbraw/zinc/44/18/33/434441833.db2.gz RIMCXXVUUXEKJC-FUMNGEBKSA-N 3 2 315.505 3.004 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423474577 434441841 /nfs/dbraw/zinc/44/18/41/434441841.db2.gz RIMCXXVUUXEKJC-FUMNGEBKSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535004 434441907 /nfs/dbraw/zinc/44/19/07/434441907.db2.gz MAKOJJSHNJIUNC-OAHLLOKOSA-N 2 2 316.417 3.263 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535004 434441913 /nfs/dbraw/zinc/44/19/13/434441913.db2.gz MAKOJJSHNJIUNC-OAHLLOKOSA-N 2 2 316.417 3.263 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535004 434441917 /nfs/dbraw/zinc/44/19/17/434441917.db2.gz MAKOJJSHNJIUNC-OAHLLOKOSA-N 2 2 316.417 3.263 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535004 434441922 /nfs/dbraw/zinc/44/19/22/434441922.db2.gz MAKOJJSHNJIUNC-OAHLLOKOSA-N 2 2 316.417 3.263 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423498993 434460255 /nfs/dbraw/zinc/46/02/55/434460255.db2.gz IWVXNPVZLTVPDV-KUHUBIRLSA-N 3 2 312.461 3.349 20 0 DGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)oc2cc1C ZINC000423521453 434468738 /nfs/dbraw/zinc/46/87/38/434468738.db2.gz QSLQXQWYBJZTNC-ZBFHGGJFSA-N 2 2 302.418 3.079 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)sc1Cl ZINC000423518460 434470882 /nfs/dbraw/zinc/47/08/82/434470882.db2.gz OSJPSKWFKWMOPC-BDAKNGLRSA-N 2 2 309.262 3.084 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000423518492 434472370 /nfs/dbraw/zinc/47/23/70/434472370.db2.gz ZHROEXHBUIZDEF-UGSOOPFHSA-N 2 2 314.477 3.433 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000348750897 434472629 /nfs/dbraw/zinc/47/26/29/434472629.db2.gz QEOSDVBNAVSBJK-JTQLQIEISA-N 2 2 309.401 3.276 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000348750897 434472640 /nfs/dbraw/zinc/47/26/40/434472640.db2.gz QEOSDVBNAVSBJK-JTQLQIEISA-N 2 2 309.401 3.276 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(SC2CCCC2)cc1 ZINC000423516194 434473142 /nfs/dbraw/zinc/47/31/42/434473142.db2.gz GHPPFGOWDIIRHZ-HOCLYGCPSA-N 2 2 320.502 3.360 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423526437 434473844 /nfs/dbraw/zinc/47/38/44/434473844.db2.gz QMAUWYVDQOYYAE-RISCZKNCSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423522489 434474240 /nfs/dbraw/zinc/47/42/40/434474240.db2.gz MIOPZZBIXLDUBI-WFASDCNBSA-N 2 2 320.433 3.193 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2F)s1 ZINC000423527527 434474318 /nfs/dbraw/zinc/47/43/18/434474318.db2.gz RQRWWYIXISHNGF-QWHCGFSZSA-N 2 2 320.433 3.193 20 0 DGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423526147 434478105 /nfs/dbraw/zinc/47/81/05/434478105.db2.gz UYGNXVCJAUKDJL-CRAIPNDOSA-N 2 2 315.461 3.013 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1F ZINC000423527346 434478223 /nfs/dbraw/zinc/47/82/23/434478223.db2.gz MJOAWOOHBLKDGI-QANKJYHBSA-N 2 2 314.404 3.241 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000366665770 434479074 /nfs/dbraw/zinc/47/90/74/434479074.db2.gz KGIMUUATEVATNJ-SCTFDZSOSA-N 2 2 306.400 3.426 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000366665770 434479082 /nfs/dbraw/zinc/47/90/82/434479082.db2.gz KGIMUUATEVATNJ-SCTFDZSOSA-N 2 2 306.400 3.426 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000360030373 434484447 /nfs/dbraw/zinc/48/44/47/434484447.db2.gz WGUTUEAQIKPORW-RBUKOAKNSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000360030373 434484454 /nfs/dbraw/zinc/48/44/54/434484454.db2.gz WGUTUEAQIKPORW-RBUKOAKNSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423554371 434487525 /nfs/dbraw/zinc/48/75/25/434487525.db2.gz HDMCWZRHCWUMNS-IAGOWNOFSA-N 3 2 303.494 3.004 20 0 DGADLP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc2ccccc2o1 ZINC000423578652 434489310 /nfs/dbraw/zinc/48/93/10/434489310.db2.gz USGNCPWCADXDCL-WMLDXEAASA-N 2 2 302.418 3.098 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736804 434489699 /nfs/dbraw/zinc/48/96/99/434489699.db2.gz RWIFHQJSPSCLRX-IHPCNDPISA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736804 434489717 /nfs/dbraw/zinc/48/97/17/434489717.db2.gz RWIFHQJSPSCLRX-IHPCNDPISA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000423579149 434495450 /nfs/dbraw/zinc/49/54/50/434495450.db2.gz VUGKOQDZJNLEOY-SFHVURJKSA-N 3 2 323.484 3.331 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062002 434497252 /nfs/dbraw/zinc/49/72/52/434497252.db2.gz UOWWKZWICJKIQN-IHRRRGAJSA-N 2 2 305.491 3.299 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062002 434497261 /nfs/dbraw/zinc/49/72/61/434497261.db2.gz UOWWKZWICJKIQN-IHRRRGAJSA-N 2 2 305.491 3.299 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366734765 434497377 /nfs/dbraw/zinc/49/73/77/434497377.db2.gz LFMHGYLAXJUFCT-STQMWFEESA-N 2 2 305.447 3.490 20 0 DGADLP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353819894 434454438 /nfs/dbraw/zinc/45/44/38/434454438.db2.gz QDOIEVZCYVYQHJ-KSSFIOAISA-N 2 2 321.428 3.408 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cnn1C(C)C ZINC000423502295 434457814 /nfs/dbraw/zinc/45/78/14/434457814.db2.gz DYXGLMNLIZWESJ-MDASCCDHSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404356810 434510638 /nfs/dbraw/zinc/51/06/38/434510638.db2.gz LWTPFZCAPSNNJD-CZUORRHYSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404356810 434510644 /nfs/dbraw/zinc/51/06/44/434510644.db2.gz LWTPFZCAPSNNJD-CZUORRHYSA-N 2 2 323.868 3.036 20 0 DGADLP CC(C)[C@@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CS1 ZINC000348838101 434522142 /nfs/dbraw/zinc/52/21/42/434522142.db2.gz MFPTVLVATBMRQP-CABCVRRESA-N 2 2 302.447 3.268 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360140516 434527931 /nfs/dbraw/zinc/52/79/31/434527931.db2.gz OXQHJMSPELJAAO-UZLBHIALSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360140516 434527938 /nfs/dbraw/zinc/52/79/38/434527938.db2.gz OXQHJMSPELJAAO-UZLBHIALSA-N 2 2 309.457 3.390 20 0 DGADLP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353926979 434529176 /nfs/dbraw/zinc/52/91/76/434529176.db2.gz IDZPCPMCRZXUNL-RTBURBONSA-N 2 2 313.445 3.226 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCn3ccnc32)C1 ZINC000296173609 434530965 /nfs/dbraw/zinc/53/09/65/434530965.db2.gz XUTGLPJHUFGRIH-LPHOPBHVSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCn3ccnc32)C1 ZINC000296173609 434530973 /nfs/dbraw/zinc/53/09/73/434530973.db2.gz XUTGLPJHUFGRIH-LPHOPBHVSA-N 2 2 324.472 3.350 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@@H]2CCC[NH2+]CC2)[nH+]1 ZINC000423782323 434532070 /nfs/dbraw/zinc/53/20/70/434532070.db2.gz ZAUCMNUIWXYXIT-CQSZACIVSA-N 2 2 312.417 3.103 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000353933157 434533567 /nfs/dbraw/zinc/53/35/67/434533567.db2.gz OQPDMYGKAJQAJW-YQQAZPJKSA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000353933157 434533573 /nfs/dbraw/zinc/53/35/73/434533573.db2.gz OQPDMYGKAJQAJW-YQQAZPJKSA-N 2 2 320.477 3.270 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1COC(C)(C)C1)c1cccc(OC)c1 ZINC000417856811 434538139 /nfs/dbraw/zinc/53/81/39/434538139.db2.gz NGMNUXCPGXVVBS-FUHWJXTLSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1cccc(C[NH+](CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000348896895 434545933 /nfs/dbraw/zinc/54/59/33/434545933.db2.gz UWXPZWLQALGSKJ-UHFFFAOYSA-N 3 2 305.510 3.009 20 0 DGADLP CC(C)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000353962227 434546566 /nfs/dbraw/zinc/54/65/66/434546566.db2.gz WJBCCMPQHOLJFD-KRWDZBQOSA-N 2 2 301.459 3.446 20 0 DGADLP CC(C)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000353962227 434546573 /nfs/dbraw/zinc/54/65/73/434546573.db2.gz WJBCCMPQHOLJFD-KRWDZBQOSA-N 2 2 301.459 3.446 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c2cccc(C)n12 ZINC000360204780 434547995 /nfs/dbraw/zinc/54/79/95/434547995.db2.gz OAQJIJHUWPBVSR-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[C@H](C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000360080334 434505952 /nfs/dbraw/zinc/50/59/52/434505952.db2.gz YUPSHEAORLUNHF-SJORKVTESA-N 2 2 318.461 3.373 20 0 DGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000439074094 434562879 /nfs/dbraw/zinc/56/28/79/434562879.db2.gz DLVDFRANPDYCSI-AWEZNQCLSA-N 2 2 321.465 3.035 20 0 DGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000439074094 434562888 /nfs/dbraw/zinc/56/28/88/434562888.db2.gz DLVDFRANPDYCSI-AWEZNQCLSA-N 2 2 321.465 3.035 20 0 DGADLP c1ccc(C2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)nc1 ZINC000353999089 434564769 /nfs/dbraw/zinc/56/47/69/434564769.db2.gz YDYWEMXCPHTELY-UHFFFAOYSA-N 2 2 322.456 3.157 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000439137380 434571232 /nfs/dbraw/zinc/57/12/32/434571232.db2.gz SNHLXSXUFYHBIP-LRDDRELGSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000439137380 434571238 /nfs/dbraw/zinc/57/12/38/434571238.db2.gz SNHLXSXUFYHBIP-LRDDRELGSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1cc(NC(=O)[C@H](C)[NH2+]C2CC2)ccc1Oc1cc[nH+]cc1 ZINC000423900225 434571734 /nfs/dbraw/zinc/57/17/34/434571734.db2.gz HNZZKDHKFJEJSJ-ZDUSSCGKSA-N 2 2 311.385 3.261 20 0 DGADLP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000527860302 295141921 /nfs/dbraw/zinc/14/19/21/295141921.db2.gz JOBULXCHKQIPDC-UXHICEINSA-N 2 2 317.521 3.172 20 0 DGADLP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527860302 295141923 /nfs/dbraw/zinc/14/19/23/295141923.db2.gz JOBULXCHKQIPDC-UXHICEINSA-N 2 2 317.521 3.172 20 0 DGADLP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952054 295156160 /nfs/dbraw/zinc/15/61/60/295156160.db2.gz STNNCHVLIBWFIT-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952054 295156162 /nfs/dbraw/zinc/15/61/62/295156162.db2.gz STNNCHVLIBWFIT-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000527990792 295161241 /nfs/dbraw/zinc/16/12/41/295161241.db2.gz AOEUZTDTWUPIBL-AEFFLSMTSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@@H](C)O1 ZINC000459396076 434576273 /nfs/dbraw/zinc/57/62/73/434576273.db2.gz VOOPIZHZPBZGFU-HZPDHXFCSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000528007946 295165515 /nfs/dbraw/zinc/16/55/15/295165515.db2.gz DKKNRALHBCGCBG-GJZGRUSLSA-N 2 2 305.491 3.435 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000528007946 295165516 /nfs/dbraw/zinc/16/55/16/295165516.db2.gz DKKNRALHBCGCBG-GJZGRUSLSA-N 2 2 305.491 3.435 20 0 DGADLP CCn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418061922 434578118 /nfs/dbraw/zinc/57/81/18/434578118.db2.gz YGEWMKSTMXHSQR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418061922 434578126 /nfs/dbraw/zinc/57/81/26/434578126.db2.gz YGEWMKSTMXHSQR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000418061922 434578135 /nfs/dbraw/zinc/57/81/35/434578135.db2.gz YGEWMKSTMXHSQR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000418061922 434578139 /nfs/dbraw/zinc/57/81/39/434578139.db2.gz YGEWMKSTMXHSQR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418061922 434578145 /nfs/dbraw/zinc/57/81/45/434578145.db2.gz YGEWMKSTMXHSQR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418061922 434578150 /nfs/dbraw/zinc/57/81/50/434578150.db2.gz YGEWMKSTMXHSQR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000418080501 434581400 /nfs/dbraw/zinc/58/14/00/434581400.db2.gz RXVKSQTVVOTAGE-INIZCTEOSA-N 2 2 305.809 3.210 20 0 DGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000418080501 434581408 /nfs/dbraw/zinc/58/14/08/434581408.db2.gz RXVKSQTVVOTAGE-INIZCTEOSA-N 2 2 305.809 3.210 20 0 DGADLP Clc1cccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424168 295212207 /nfs/dbraw/zinc/21/22/07/295212207.db2.gz KYCDAMASSBIMCJ-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424168 295212209 /nfs/dbraw/zinc/21/22/09/295212209.db2.gz KYCDAMASSBIMCJ-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424168 295212210 /nfs/dbraw/zinc/21/22/10/295212210.db2.gz KYCDAMASSBIMCJ-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528424168 295212212 /nfs/dbraw/zinc/21/22/12/295212212.db2.gz KYCDAMASSBIMCJ-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)C[C@@H]2COc3ccccc3O2)c[nH+]1 ZINC000349062687 434595500 /nfs/dbraw/zinc/59/55/00/434595500.db2.gz NKHYZXZOYJPMHE-QGZVFWFLSA-N 2 2 312.413 3.094 20 0 DGADLP Cc1ccc(CCC[N@H+](C)C[C@@H]2COc3ccccc3O2)c[nH+]1 ZINC000349062687 434595505 /nfs/dbraw/zinc/59/55/05/434595505.db2.gz NKHYZXZOYJPMHE-QGZVFWFLSA-N 2 2 312.413 3.094 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000354095252 434615203 /nfs/dbraw/zinc/61/52/03/434615203.db2.gz ZHCXJHGHBSFRJF-JRGCBEDISA-N 2 2 324.468 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000354095252 434615207 /nfs/dbraw/zinc/61/52/07/434615207.db2.gz ZHCXJHGHBSFRJF-JRGCBEDISA-N 2 2 324.468 3.363 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000349145925 434620684 /nfs/dbraw/zinc/62/06/84/434620684.db2.gz FUACQXZHQPNBIB-JTQLQIEISA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000349145925 434620691 /nfs/dbraw/zinc/62/06/91/434620691.db2.gz FUACQXZHQPNBIB-JTQLQIEISA-N 2 2 315.364 3.490 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148307 434640860 /nfs/dbraw/zinc/64/08/60/434640860.db2.gz XLHCYJHBHYJTFT-GJZGRUSLSA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148307 434640867 /nfs/dbraw/zinc/64/08/67/434640867.db2.gz XLHCYJHBHYJTFT-GJZGRUSLSA-N 2 2 320.477 3.270 20 0 DGADLP CC[C@H](C)C[N@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447820 434601266 /nfs/dbraw/zinc/60/12/66/434601266.db2.gz AHKPMUDWWALIPK-WMLDXEAASA-N 2 2 317.477 3.382 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447820 434601273 /nfs/dbraw/zinc/60/12/73/434601273.db2.gz AHKPMUDWWALIPK-WMLDXEAASA-N 2 2 317.477 3.382 20 0 DGADLP c1cn2c(cccc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000349370270 434694330 /nfs/dbraw/zinc/69/43/30/434694330.db2.gz QSJKOTTYRFCGAO-UHFFFAOYSA-N 2 2 323.444 3.223 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000459755550 434698514 /nfs/dbraw/zinc/69/85/14/434698514.db2.gz OZOHCTNPFWIGFF-KBPBESRZSA-N 2 2 309.417 3.326 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641326 434646039 /nfs/dbraw/zinc/64/60/39/434646039.db2.gz MJPIOPGYDSPHLA-MLGOLLRUSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641326 434646044 /nfs/dbraw/zinc/64/60/44/434646044.db2.gz MJPIOPGYDSPHLA-MLGOLLRUSA-N 2 2 323.278 3.064 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164457 434648555 /nfs/dbraw/zinc/64/85/55/434648555.db2.gz ARGHIMVYZMJKPE-QGZVFWFLSA-N 2 2 307.507 3.358 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164457 434648560 /nfs/dbraw/zinc/64/85/60/434648560.db2.gz ARGHIMVYZMJKPE-QGZVFWFLSA-N 2 2 307.507 3.358 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164457 434648565 /nfs/dbraw/zinc/64/85/65/434648565.db2.gz ARGHIMVYZMJKPE-QGZVFWFLSA-N 2 2 307.507 3.358 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)C1 ZINC000354164457 434648573 /nfs/dbraw/zinc/64/85/73/434648573.db2.gz ARGHIMVYZMJKPE-QGZVFWFLSA-N 2 2 307.507 3.358 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178467 434657000 /nfs/dbraw/zinc/65/70/00/434657000.db2.gz WZBVXBPKQMDKBZ-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178467 434657005 /nfs/dbraw/zinc/65/70/05/434657005.db2.gz WZBVXBPKQMDKBZ-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178467 434657011 /nfs/dbraw/zinc/65/70/11/434657011.db2.gz WZBVXBPKQMDKBZ-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178467 434657018 /nfs/dbraw/zinc/65/70/18/434657018.db2.gz WZBVXBPKQMDKBZ-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP Cc1cc(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc(C)[nH+]1 ZINC000424207097 434659092 /nfs/dbraw/zinc/65/90/92/434659092.db2.gz WXHVWZHWFKVGIY-SFHVURJKSA-N 2 2 317.477 3.393 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205796 434667330 /nfs/dbraw/zinc/66/73/30/434667330.db2.gz JCLRSPJTTRUDMF-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205796 434667338 /nfs/dbraw/zinc/66/73/38/434667338.db2.gz JCLRSPJTTRUDMF-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205796 434667344 /nfs/dbraw/zinc/66/73/44/434667344.db2.gz JCLRSPJTTRUDMF-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205796 434667349 /nfs/dbraw/zinc/66/73/49/434667349.db2.gz JCLRSPJTTRUDMF-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000349346145 434683895 /nfs/dbraw/zinc/68/38/95/434683895.db2.gz XGDIBQWCFCHXJN-FLODPWGTSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000349346145 434683902 /nfs/dbraw/zinc/68/39/02/434683902.db2.gz XGDIBQWCFCHXJN-FLODPWGTSA-N 2 2 302.462 3.368 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1csc(Br)c1 ZINC000349379185 434700014 /nfs/dbraw/zinc/70/00/14/434700014.db2.gz AUDCHMRTDNDVES-UHFFFAOYSA-N 2 2 305.285 3.284 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1csc(Br)c1 ZINC000349379185 434700020 /nfs/dbraw/zinc/70/00/20/434700020.db2.gz AUDCHMRTDNDVES-UHFFFAOYSA-N 2 2 305.285 3.284 20 0 DGADLP COC(=O)CC1CC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000424310063 434688636 /nfs/dbraw/zinc/68/86/36/434688636.db2.gz JDWUJTLYSMAPTO-UQPPLGOBSA-N 2 2 318.461 3.047 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000360967273 434747121 /nfs/dbraw/zinc/74/71/21/434747121.db2.gz WYKUTPGJDLCINH-HNNXBMFYSA-N 2 2 310.445 3.193 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000360967273 434747127 /nfs/dbraw/zinc/74/71/27/434747127.db2.gz WYKUTPGJDLCINH-HNNXBMFYSA-N 2 2 310.445 3.193 20 0 DGADLP CCCn1nc(C)c(C[N@H+](CC)CCC[NH+]2CCCC2)c1C ZINC000349404133 434704582 /nfs/dbraw/zinc/70/45/82/434704582.db2.gz FEWQOEWMSURLMJ-UHFFFAOYSA-N 2 2 306.498 3.218 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](CC)CCC[NH+]2CCCC2)c1C ZINC000349404133 434704591 /nfs/dbraw/zinc/70/45/91/434704591.db2.gz FEWQOEWMSURLMJ-UHFFFAOYSA-N 2 2 306.498 3.218 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000349413876 434710003 /nfs/dbraw/zinc/71/00/03/434710003.db2.gz FSRGZRKMRJPBRO-UHFFFAOYSA-N 2 2 304.356 3.201 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000349413876 434710009 /nfs/dbraw/zinc/71/00/09/434710009.db2.gz FSRGZRKMRJPBRO-UHFFFAOYSA-N 2 2 304.356 3.201 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424375313 434713790 /nfs/dbraw/zinc/71/37/90/434713790.db2.gz JKJSSOPMTKREQA-CHWSQXEVSA-N 2 2 303.233 3.362 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCC2 ZINC000424381326 434717099 /nfs/dbraw/zinc/71/70/99/434717099.db2.gz YLASFLNVDWPDKN-MGPQQGTHSA-N 2 2 320.433 3.002 20 0 DGADLP C[C@H]1C[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000371485117 434719146 /nfs/dbraw/zinc/71/91/46/434719146.db2.gz KPVRYIIWYLBUPY-DOTOQJQBSA-N 2 2 322.456 3.496 20 0 DGADLP C[C@H]1C[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000371485117 434719151 /nfs/dbraw/zinc/71/91/51/434719151.db2.gz KPVRYIIWYLBUPY-DOTOQJQBSA-N 2 2 322.456 3.496 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc(C)c3)CC2)c1 ZINC000441507335 434768129 /nfs/dbraw/zinc/76/81/29/434768129.db2.gz VEQYYKPBDNVUBK-MRXNPFEDSA-N 2 2 311.429 3.282 20 0 DGADLP CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411365329 434768435 /nfs/dbraw/zinc/76/84/35/434768435.db2.gz COIGKSXPHFFGGL-INIZCTEOSA-N 2 2 318.461 3.056 20 0 DGADLP CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411365329 434768441 /nfs/dbraw/zinc/76/84/41/434768441.db2.gz COIGKSXPHFFGGL-INIZCTEOSA-N 2 2 318.461 3.056 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442665554 434770943 /nfs/dbraw/zinc/77/09/43/434770943.db2.gz PIHVBTOVZXWWHI-HUUCEWRRSA-N 2 2 300.450 3.144 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442665554 434770948 /nfs/dbraw/zinc/77/09/48/434770948.db2.gz PIHVBTOVZXWWHI-HUUCEWRRSA-N 2 2 300.450 3.144 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000360994282 434757263 /nfs/dbraw/zinc/75/72/63/434757263.db2.gz COHGDFDSKFPIDY-SFHVURJKSA-N 2 2 302.462 3.018 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000360994282 434757265 /nfs/dbraw/zinc/75/72/65/434757265.db2.gz COHGDFDSKFPIDY-SFHVURJKSA-N 2 2 302.462 3.018 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000411330642 434763280 /nfs/dbraw/zinc/76/32/80/434763280.db2.gz SQDFGYQDOVTTNN-ZWKOTPCHSA-N 2 2 311.404 3.207 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000361081190 434789891 /nfs/dbraw/zinc/78/98/91/434789891.db2.gz XBGORECHKOIZDI-FCEWJHQRSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000361081190 434789897 /nfs/dbraw/zinc/78/98/97/434789897.db2.gz XBGORECHKOIZDI-FCEWJHQRSA-N 2 2 312.461 3.389 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCCc2c(O)cccc21)Cc1ccccc1 ZINC000361105476 434797091 /nfs/dbraw/zinc/79/70/91/434797091.db2.gz GQXHJFVUFICNJA-LJQANCHMSA-N 2 2 310.441 3.491 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCCc2c(O)cccc21)Cc1ccccc1 ZINC000361105476 434797096 /nfs/dbraw/zinc/79/70/96/434797096.db2.gz GQXHJFVUFICNJA-LJQANCHMSA-N 2 2 310.441 3.491 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCCc1cccnc1)CCC2 ZINC000453127883 434809537 /nfs/dbraw/zinc/80/95/37/434809537.db2.gz WQAPKPFNVWFCOG-QAPCUYQASA-N 2 2 312.461 3.465 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411674045 434816117 /nfs/dbraw/zinc/81/61/17/434816117.db2.gz UKYSEGHLDORYJS-ZWKOTPCHSA-N 2 2 311.404 3.207 20 0 DGADLP Fc1cccc(F)c1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000372471943 434833221 /nfs/dbraw/zinc/83/32/21/434833221.db2.gz GTQPVSTZLXODFH-UHFFFAOYSA-N 2 2 305.372 3.431 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453257526 434841628 /nfs/dbraw/zinc/84/16/28/434841628.db2.gz HCKZGWFDPSVTLH-PMACEKPBSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453257526 434841631 /nfs/dbraw/zinc/84/16/31/434841631.db2.gz HCKZGWFDPSVTLH-PMACEKPBSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453257527 434842456 /nfs/dbraw/zinc/84/24/56/434842456.db2.gz HCKZGWFDPSVTLH-UXHICEINSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453257527 434842459 /nfs/dbraw/zinc/84/24/59/434842459.db2.gz HCKZGWFDPSVTLH-UXHICEINSA-N 2 2 318.505 3.080 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc2ccccc21 ZINC000453260213 434842748 /nfs/dbraw/zinc/84/27/48/434842748.db2.gz QWRIZZCPVZPEET-FUHWJXTLSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc2ccccc21 ZINC000453260213 434842750 /nfs/dbraw/zinc/84/27/50/434842750.db2.gz QWRIZZCPVZPEET-FUHWJXTLSA-N 2 2 312.457 3.337 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1c1ccccc1 ZINC000453258086 434843281 /nfs/dbraw/zinc/84/32/81/434843281.db2.gz HPZMVYVPVWXOOR-GBESFXJTSA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1c1ccccc1 ZINC000453258086 434843284 /nfs/dbraw/zinc/84/32/84/434843284.db2.gz HPZMVYVPVWXOOR-GBESFXJTSA-N 2 2 316.489 3.005 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453264143 434844636 /nfs/dbraw/zinc/84/46/36/434844636.db2.gz UXAYLOCYFLCJIA-VQIMIIECSA-N 2 2 304.478 3.137 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453264143 434844638 /nfs/dbraw/zinc/84/46/38/434844638.db2.gz UXAYLOCYFLCJIA-VQIMIIECSA-N 2 2 304.478 3.137 20 0 DGADLP C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000453282846 434849453 /nfs/dbraw/zinc/84/94/53/434849453.db2.gz HYLMFAOXRIJJFW-STQMWFEESA-N 2 2 300.393 3.321 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)(F)F ZINC000453282844 434849738 /nfs/dbraw/zinc/84/97/38/434849738.db2.gz HYLMFAOXRIJJFW-QWHCGFSZSA-N 2 2 300.393 3.321 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(C)(C)C[C@H]3C)c2cc1C ZINC000412037582 434857581 /nfs/dbraw/zinc/85/75/81/434857581.db2.gz IBAYYWHVMQTBAM-HZPDHXFCSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(C)(C)C[C@H]3C)c2cc1C ZINC000412037582 434857584 /nfs/dbraw/zinc/85/75/84/434857584.db2.gz IBAYYWHVMQTBAM-HZPDHXFCSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(C)(C)C[C@@H]3C)c2cc1C ZINC000412037580 434858488 /nfs/dbraw/zinc/85/84/88/434858488.db2.gz IBAYYWHVMQTBAM-HOTGVXAUSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(C)(C)C[C@@H]3C)c2cc1C ZINC000412037580 434858489 /nfs/dbraw/zinc/85/84/89/434858489.db2.gz IBAYYWHVMQTBAM-HOTGVXAUSA-N 2 2 315.461 3.134 20 0 DGADLP CC(C)c1[nH+]c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c2ccccn21 ZINC000573096659 434873784 /nfs/dbraw/zinc/87/37/84/434873784.db2.gz DUUFLITYQKXNCK-WBVHZDCISA-N 2 2 313.445 3.459 20 0 DGADLP CC(C)c1[nH+]c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c2ccccn21 ZINC000573096659 434873789 /nfs/dbraw/zinc/87/37/89/434873789.db2.gz DUUFLITYQKXNCK-WBVHZDCISA-N 2 2 313.445 3.459 20 0 DGADLP C[N@H+](Cc1ccns1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638029984 434938696 /nfs/dbraw/zinc/93/86/96/434938696.db2.gz AWOIYZIQLSGMNC-UHFFFAOYSA-N 2 2 301.459 3.240 20 0 DGADLP C[N@@H+](Cc1ccns1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638029984 434938700 /nfs/dbraw/zinc/93/87/00/434938700.db2.gz AWOIYZIQLSGMNC-UHFFFAOYSA-N 2 2 301.459 3.240 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C[C@H](C)O1 ZINC000574010145 434942458 /nfs/dbraw/zinc/94/24/58/434942458.db2.gz NWJVPFCMSICBMS-VQFNDLOPSA-N 2 2 313.445 3.020 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000554724690 434945317 /nfs/dbraw/zinc/94/53/17/434945317.db2.gz SFQPWZJLLWWHSR-MLGOLLRUSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000554724690 434945320 /nfs/dbraw/zinc/94/53/20/434945320.db2.gz SFQPWZJLLWWHSR-MLGOLLRUSA-N 2 2 323.278 3.368 20 0 DGADLP [NH3+]C[C@H](C[N@@H+]1CCc2ccc(F)c(F)c2C1)c1ccc(F)cc1 ZINC000574047035 434945460 /nfs/dbraw/zinc/94/54/60/434945460.db2.gz TYUOBWCRSAYJJS-CQSZACIVSA-N 2 2 320.358 3.205 20 0 DGADLP [NH3+]C[C@H](C[N@H+]1CCc2ccc(F)c(F)c2C1)c1ccc(F)cc1 ZINC000574047035 434945462 /nfs/dbraw/zinc/94/54/62/434945462.db2.gz TYUOBWCRSAYJJS-CQSZACIVSA-N 2 2 320.358 3.205 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(CC2CCC2)n1 ZINC000638105354 434951994 /nfs/dbraw/zinc/95/19/94/434951994.db2.gz RGQJBRBOQFSSNR-SFHVURJKSA-N 2 2 316.493 3.134 20 0 DGADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(CC2CCC2)n1 ZINC000638105354 434951997 /nfs/dbraw/zinc/95/19/97/434951997.db2.gz RGQJBRBOQFSSNR-SFHVURJKSA-N 2 2 316.493 3.134 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116443 434957384 /nfs/dbraw/zinc/95/73/84/434957384.db2.gz XYWMRPNESUPZOF-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116443 434957387 /nfs/dbraw/zinc/95/73/87/434957387.db2.gz XYWMRPNESUPZOF-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116443 434957390 /nfs/dbraw/zinc/95/73/90/434957390.db2.gz XYWMRPNESUPZOF-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116443 434957392 /nfs/dbraw/zinc/95/73/92/434957392.db2.gz XYWMRPNESUPZOF-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574410446 434976425 /nfs/dbraw/zinc/97/64/25/434976425.db2.gz LAACFFWQBMNYTR-OAHLLOKOSA-N 2 2 306.413 3.446 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976278 434921586 /nfs/dbraw/zinc/92/15/86/434921586.db2.gz BBLSIBPVMPMBFX-CVEARBPZSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976278 434921588 /nfs/dbraw/zinc/92/15/88/434921588.db2.gz BBLSIBPVMPMBFX-CVEARBPZSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000637976278 434921591 /nfs/dbraw/zinc/92/15/91/434921591.db2.gz BBLSIBPVMPMBFX-CVEARBPZSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000637976278 434921594 /nfs/dbraw/zinc/92/15/94/434921594.db2.gz BBLSIBPVMPMBFX-CVEARBPZSA-N 2 2 319.468 3.494 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017877 434933444 /nfs/dbraw/zinc/93/34/44/434933444.db2.gz JFOUXHQLUQLJKN-PKOBYXMFSA-N 2 2 310.445 3.047 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017877 434933447 /nfs/dbraw/zinc/93/34/47/434933447.db2.gz JFOUXHQLUQLJKN-PKOBYXMFSA-N 2 2 310.445 3.047 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462831936 434934059 /nfs/dbraw/zinc/93/40/59/434934059.db2.gz FAKCFQLHFNVFNK-GUTXKFCHSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462831936 434934061 /nfs/dbraw/zinc/93/40/61/434934061.db2.gz FAKCFQLHFNVFNK-GUTXKFCHSA-N 2 2 300.368 3.437 20 0 DGADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638448478 435033544 /nfs/dbraw/zinc/03/35/44/435033544.db2.gz CZZLCGXNHPKJTN-MOPGFXCFSA-N 2 2 302.462 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638448478 435033546 /nfs/dbraw/zinc/03/35/46/435033546.db2.gz CZZLCGXNHPKJTN-MOPGFXCFSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CS1 ZINC000638385987 435018907 /nfs/dbraw/zinc/01/89/07/435018907.db2.gz NFFIHADTVYYQNO-DYVFJYSZSA-N 2 2 308.466 3.274 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC1(F)F ZINC000638384254 435019786 /nfs/dbraw/zinc/01/97/86/435019786.db2.gz BWEOKIZIJVDOJU-MLGOLLRUSA-N 2 2 312.379 3.423 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C12CCC2 ZINC000638404341 435024111 /nfs/dbraw/zinc/02/41/11/435024111.db2.gz AMVRVVFJWKSBHZ-JKSUJKDBSA-N 2 2 305.466 3.379 20 0 DGADLP COc1cc(C[C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccn1 ZINC000638442031 435031243 /nfs/dbraw/zinc/03/12/43/435031243.db2.gz NDWMJRWVGROWQH-AWEZNQCLSA-N 2 2 324.428 3.120 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000556088045 434994294 /nfs/dbraw/zinc/99/42/94/434994294.db2.gz FGHWFTIWKIPNNC-IBGZPJMESA-N 2 2 316.489 3.299 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000556088045 434994299 /nfs/dbraw/zinc/99/42/99/434994299.db2.gz FGHWFTIWKIPNNC-IBGZPJMESA-N 2 2 316.489 3.299 20 0 DGADLP CCOC1CC(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638324608 435005370 /nfs/dbraw/zinc/00/53/70/435005370.db2.gz BPTUPTIVVGZYFY-UHFFFAOYSA-N 2 2 316.489 3.228 20 0 DGADLP CCOC1CC(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000638324608 435005376 /nfs/dbraw/zinc/00/53/76/435005376.db2.gz BPTUPTIVVGZYFY-UHFFFAOYSA-N 2 2 316.489 3.228 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000638636398 435062845 /nfs/dbraw/zinc/06/28/45/435062845.db2.gz BEFXASNYBHLNCO-QGZVFWFLSA-N 2 2 313.420 3.162 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000638636398 435062848 /nfs/dbraw/zinc/06/28/48/435062848.db2.gz BEFXASNYBHLNCO-QGZVFWFLSA-N 2 2 313.420 3.162 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]CC1CCSCC1)c1ccccc1 ZINC000638698224 435072522 /nfs/dbraw/zinc/07/25/22/435072522.db2.gz ITOKQVHVHBTJDZ-KRWDZBQOSA-N 2 2 315.486 3.437 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000558259839 435083660 /nfs/dbraw/zinc/08/36/60/435083660.db2.gz XRNQGHNLBWRYSC-IOMROCGXSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000558259839 435083665 /nfs/dbraw/zinc/08/36/65/435083665.db2.gz XRNQGHNLBWRYSC-IOMROCGXSA-N 2 2 324.468 3.015 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638456833 435035626 /nfs/dbraw/zinc/03/56/26/435035626.db2.gz GNQOOCGEGDBUMN-QUCCMNQESA-N 3 2 324.472 3.149 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638456833 435035631 /nfs/dbraw/zinc/03/56/31/435035631.db2.gz GNQOOCGEGDBUMN-QUCCMNQESA-N 3 2 324.472 3.149 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638466264 435037011 /nfs/dbraw/zinc/03/70/11/435037011.db2.gz IITNVXAOUPZMOK-KPFFTGBYSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638466264 435037014 /nfs/dbraw/zinc/03/70/14/435037014.db2.gz IITNVXAOUPZMOK-KPFFTGBYSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638787917 435090029 /nfs/dbraw/zinc/09/00/29/435090029.db2.gz PJGYCTVNFWKSIQ-OAHLLOKOSA-N 2 2 301.434 3.285 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638787917 435090033 /nfs/dbraw/zinc/09/00/33/435090033.db2.gz PJGYCTVNFWKSIQ-OAHLLOKOSA-N 2 2 301.434 3.285 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000558471943 435092815 /nfs/dbraw/zinc/09/28/15/435092815.db2.gz AMTYLDADLQQTHP-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000558471943 435092820 /nfs/dbraw/zinc/09/28/20/435092820.db2.gz AMTYLDADLQQTHP-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664727 435102919 /nfs/dbraw/zinc/10/29/19/435102919.db2.gz VYNONJZGJWXZCT-UONOGXRCSA-N 2 2 320.864 3.456 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664727 435102922 /nfs/dbraw/zinc/10/29/22/435102922.db2.gz VYNONJZGJWXZCT-UONOGXRCSA-N 2 2 320.864 3.456 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC[C@H](C)C3)c2cc1C ZINC000558752572 435109920 /nfs/dbraw/zinc/10/99/20/435109920.db2.gz WWJYUWZSKYOLKF-RRQGHBQHSA-N 2 2 315.461 3.182 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732031 435115656 /nfs/dbraw/zinc/11/56/56/435115656.db2.gz NGGDBZJOYSCCOF-QRWLVFNGSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732031 435115661 /nfs/dbraw/zinc/11/56/61/435115661.db2.gz NGGDBZJOYSCCOF-QRWLVFNGSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969554 435123344 /nfs/dbraw/zinc/12/33/44/435123344.db2.gz ICOXGVNBVSJCFN-LESCRADOSA-N 2 2 316.493 3.114 20 0 DGADLP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969554 435123347 /nfs/dbraw/zinc/12/33/47/435123347.db2.gz ICOXGVNBVSJCFN-LESCRADOSA-N 2 2 316.493 3.114 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000531938913 435128934 /nfs/dbraw/zinc/12/89/34/435128934.db2.gz SIEZSVVJIPNTAJ-CYBMUJFWSA-N 2 2 304.463 3.349 20 0 DGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCC[C@H]3F)CC2)cc1 ZINC000559360117 435129071 /nfs/dbraw/zinc/12/90/71/435129071.db2.gz PQSUQJYANRRTOB-MSOLQXFVSA-N 2 2 308.416 3.313 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128592 435133397 /nfs/dbraw/zinc/13/33/97/435133397.db2.gz BUZXQXUOZYIDCY-COPLHBTASA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128592 435133400 /nfs/dbraw/zinc/13/34/00/435133400.db2.gz BUZXQXUOZYIDCY-COPLHBTASA-N 2 2 324.266 3.120 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000579267164 435141996 /nfs/dbraw/zinc/14/19/96/435141996.db2.gz XMSITDINEQRGHD-LRDDRELGSA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000579267164 435142000 /nfs/dbraw/zinc/14/20/00/435142000.db2.gz XMSITDINEQRGHD-LRDDRELGSA-N 2 2 308.853 3.311 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000532197197 435145622 /nfs/dbraw/zinc/14/56/22/435145622.db2.gz AIJPZYYGWZXFJH-QLFBSQMISA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000532197197 435145625 /nfs/dbraw/zinc/14/56/25/435145625.db2.gz AIJPZYYGWZXFJH-QLFBSQMISA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000493692292 435189970 /nfs/dbraw/zinc/18/99/70/435189970.db2.gz VBNRSVXRJFVOMJ-DHMWGJHJSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000493692292 435189972 /nfs/dbraw/zinc/18/99/72/435189972.db2.gz VBNRSVXRJFVOMJ-DHMWGJHJSA-N 2 2 304.400 3.427 20 0 DGADLP Cc1[nH+]cn(-c2ccc([NH2+]CCCc3cnn(C)c3)cc2)c1C ZINC000639199708 435196092 /nfs/dbraw/zinc/19/60/92/435196092.db2.gz YRPQXRLVTBZUFD-UHFFFAOYSA-N 2 2 309.417 3.267 20 0 DGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000639226646 435204751 /nfs/dbraw/zinc/20/47/51/435204751.db2.gz GUGQAGCOCDFFQQ-OAHLLOKOSA-N 2 2 313.445 3.168 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000532248836 435152324 /nfs/dbraw/zinc/15/23/24/435152324.db2.gz DVTQXDQZUKTULB-UIFIKXQLSA-N 2 2 324.468 3.139 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000532248836 435152329 /nfs/dbraw/zinc/15/23/29/435152329.db2.gz DVTQXDQZUKTULB-UIFIKXQLSA-N 2 2 324.468 3.139 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000474593511 435153227 /nfs/dbraw/zinc/15/32/27/435153227.db2.gz BVDOCYWHTJLYFH-OTWHNJEPSA-N 2 2 304.478 3.393 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000474705247 435157257 /nfs/dbraw/zinc/15/72/57/435157257.db2.gz DTGUDPDJUJIJJE-HNNXBMFYSA-N 2 2 320.477 3.295 20 0 DGADLP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)cc1 ZINC000639114765 435160620 /nfs/dbraw/zinc/16/06/20/435160620.db2.gz OFFRQLCZCRQALJ-YLJYHZDGSA-N 2 2 323.440 3.061 20 0 DGADLP c1ccc(N2CC[C@H](C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)cc1 ZINC000639114765 435160621 /nfs/dbraw/zinc/16/06/21/435160621.db2.gz OFFRQLCZCRQALJ-YLJYHZDGSA-N 2 2 323.440 3.061 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000639163037 435179838 /nfs/dbraw/zinc/17/98/38/435179838.db2.gz WLRHQOCKGHWKFT-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000639163037 435179840 /nfs/dbraw/zinc/17/98/40/435179840.db2.gz WLRHQOCKGHWKFT-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000639163037 435179843 /nfs/dbraw/zinc/17/98/43/435179843.db2.gz WLRHQOCKGHWKFT-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sn1 ZINC000639163037 435179845 /nfs/dbraw/zinc/17/98/45/435179845.db2.gz WLRHQOCKGHWKFT-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000533281288 435223910 /nfs/dbraw/zinc/22/39/10/435223910.db2.gz PIHPRHKZIJYMFY-QGZVFWFLSA-N 2 2 312.461 3.214 20 0 DGADLP Cc1nnc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000580413877 435230596 /nfs/dbraw/zinc/23/05/96/435230596.db2.gz AXPCUFMGWVDIOT-CQSZACIVSA-N 2 2 314.433 3.215 20 0 DGADLP C1CC(=C2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)C1 ZINC000639328367 435246141 /nfs/dbraw/zinc/24/61/41/435246141.db2.gz PYZROHKYGPVFHI-LJQANCHMSA-N 2 2 304.478 3.252 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643061705 435264289 /nfs/dbraw/zinc/26/42/89/435264289.db2.gz JZPCFINCOUBKAV-QZTJIDSGSA-N 2 2 320.502 3.394 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643061705 435264293 /nfs/dbraw/zinc/26/42/93/435264293.db2.gz JZPCFINCOUBKAV-QZTJIDSGSA-N 2 2 320.502 3.394 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000534064238 435266585 /nfs/dbraw/zinc/26/65/85/435266585.db2.gz SXYBIJXQFLVKQC-ZKXLYKBJSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[N@H+]1CCCC[C@H]1C ZINC000534064238 435266590 /nfs/dbraw/zinc/26/65/90/435266590.db2.gz SXYBIJXQFLVKQC-ZKXLYKBJSA-N 2 2 306.494 3.187 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031699 435267144 /nfs/dbraw/zinc/26/71/44/435267144.db2.gz BUUJRDXUWGMUMB-XJKSGUPXSA-N 2 2 316.848 3.078 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031699 435267147 /nfs/dbraw/zinc/26/71/47/435267147.db2.gz BUUJRDXUWGMUMB-XJKSGUPXSA-N 2 2 316.848 3.078 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000534127465 435268706 /nfs/dbraw/zinc/26/87/06/435268706.db2.gz CDROXWSTRPDCKX-UHFFFAOYSA-N 2 2 314.433 3.444 20 0 DGADLP COCc1csc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639375010 435270858 /nfs/dbraw/zinc/27/08/58/435270858.db2.gz NPTPFOJIWNDEDZ-UHFFFAOYSA-N 2 2 308.491 3.345 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000639375709 435271695 /nfs/dbraw/zinc/27/16/95/435271695.db2.gz AOTLMELFNNVNCV-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP CC(=O)Nc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374676 435271730 /nfs/dbraw/zinc/27/17/30/435271730.db2.gz IUPOMYXWDGYXMT-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000534237288 435272740 /nfs/dbraw/zinc/27/27/40/435272740.db2.gz GHKBMQPKOPNLTI-RDTXWAMCSA-N 2 2 322.880 3.275 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000639376265 435274386 /nfs/dbraw/zinc/27/43/86/435274386.db2.gz ANLHUURVALWRRG-UHFFFAOYSA-N 2 2 318.461 3.241 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)[nH+]c1 ZINC000584125605 435276648 /nfs/dbraw/zinc/27/66/48/435276648.db2.gz PLZGSKYCGUDWKF-QGZVFWFLSA-N 2 2 315.461 3.450 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000648404885 435288796 /nfs/dbraw/zinc/28/87/96/435288796.db2.gz YKHRFFYQYVLJDU-HOTGVXAUSA-N 2 2 301.434 3.282 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000648404886 435289353 /nfs/dbraw/zinc/28/93/53/435289353.db2.gz YKHRFFYQYVLJDU-HZPDHXFCSA-N 2 2 301.434 3.282 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648410648 435291536 /nfs/dbraw/zinc/29/15/36/435291536.db2.gz WEUJYDDLSHISQH-RBUKOAKNSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648410648 435291539 /nfs/dbraw/zinc/29/15/39/435291539.db2.gz WEUJYDDLSHISQH-RBUKOAKNSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](CC)CC)CCO1 ZINC000648417400 435292212 /nfs/dbraw/zinc/29/22/12/435292212.db2.gz FIXZBFZKZBBAPG-XUVXKRRUSA-N 2 2 318.505 3.487 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCCc3ccccc3C2)[nH+]c2n1CCCC2 ZINC000648417887 435293268 /nfs/dbraw/zinc/29/32/68/435293268.db2.gz OUFDKEOYSNMWPU-GOSISDBHSA-N 2 2 309.457 3.299 20 0 DGADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000567171454 435293745 /nfs/dbraw/zinc/29/37/45/435293745.db2.gz CKWFYUNUPWMHOK-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000567171454 435293748 /nfs/dbraw/zinc/29/37/48/435293748.db2.gz CKWFYUNUPWMHOK-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP Cn1c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc2ccccc21 ZINC000534861096 435303205 /nfs/dbraw/zinc/30/32/05/435303205.db2.gz PSEPJCMSBUUSOJ-UHFFFAOYSA-N 2 2 321.428 3.045 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](Cn2cccn2)c2ccccc2)c2ccccc21 ZINC000643457315 435327248 /nfs/dbraw/zinc/32/72/48/435327248.db2.gz WZRLBTZYAOPPMF-AQNXPRMDSA-N 2 2 318.424 3.359 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457524 435330847 /nfs/dbraw/zinc/33/08/47/435330847.db2.gz IOWQDXREONGORS-AQNXPRMDSA-N 3 2 315.505 3.148 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457524 435330850 /nfs/dbraw/zinc/33/08/50/435330850.db2.gz IOWQDXREONGORS-AQNXPRMDSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(N2CCCC2)n1 ZINC000643471289 435332823 /nfs/dbraw/zinc/33/28/23/435332823.db2.gz OVCBZRLFPCVNBF-OALUTQOASA-N 2 2 322.456 3.225 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000643505880 435339346 /nfs/dbraw/zinc/33/93/46/435339346.db2.gz CFOXIJJCIPGIDW-YGRLFVJLSA-N 2 2 309.251 3.339 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643501510 435339887 /nfs/dbraw/zinc/33/98/87/435339887.db2.gz JHXHITCFCWSXGY-IUODEOHRSA-N 2 2 314.351 3.304 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000643521772 435342169 /nfs/dbraw/zinc/34/21/69/435342169.db2.gz BKNGZZVSJQAIPG-YJBOKZPZSA-N 2 2 317.383 3.181 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000643525010 435343383 /nfs/dbraw/zinc/34/33/83/435343383.db2.gz IVSGQHQXZFOCDN-YWZLYKJASA-N 3 2 311.473 3.160 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000643537801 435347030 /nfs/dbraw/zinc/34/70/30/435347030.db2.gz RAGONFFLFACZEN-KWBADKCTSA-N 2 2 300.830 3.167 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643537740 435347610 /nfs/dbraw/zinc/34/76/10/435347610.db2.gz PJIKWEXVAGAXQF-MPGHIAIKSA-N 2 2 306.425 3.216 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1OC(F)F ZINC000643537663 435347754 /nfs/dbraw/zinc/34/77/54/435347754.db2.gz NUQIJCRPOLRJEE-GVXVVHGQSA-N 2 2 302.340 3.029 20 0 DGADLP Fc1ccc(C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)cc1 ZINC000643538709 435350073 /nfs/dbraw/zinc/35/00/73/435350073.db2.gz SHMMKTYQOZZPDN-FHWLQOOXSA-N 2 2 316.395 3.399 20 0 DGADLP c1c[nH]c([C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C2CCCCC2)n1 ZINC000643548753 435352483 /nfs/dbraw/zinc/35/24/83/435352483.db2.gz URQQZLYHUKBXHI-CVEARBPZSA-N 2 2 302.466 3.295 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648586838 435352780 /nfs/dbraw/zinc/35/27/80/435352780.db2.gz MIESNHYESGYDHC-LLVKDONJSA-N 2 2 316.792 3.204 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648586838 435352785 /nfs/dbraw/zinc/35/27/85/435352785.db2.gz MIESNHYESGYDHC-LLVKDONJSA-N 2 2 316.792 3.204 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000480023888 435363811 /nfs/dbraw/zinc/36/38/11/435363811.db2.gz YKPWSWOIAULYKL-MJGOQNOKSA-N 2 2 304.478 3.311 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000512576037 435364082 /nfs/dbraw/zinc/36/40/82/435364082.db2.gz AKRDLIGHHFTMCM-RRQGHBQHSA-N 2 2 310.869 3.490 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000512576037 435364088 /nfs/dbraw/zinc/36/40/88/435364088.db2.gz AKRDLIGHHFTMCM-RRQGHBQHSA-N 2 2 310.869 3.490 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637242796 435410547 /nfs/dbraw/zinc/41/05/47/435410547.db2.gz NITZDNHDDYOVDD-KRWDZBQOSA-N 2 2 309.413 3.159 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637242796 435410554 /nfs/dbraw/zinc/41/05/54/435410554.db2.gz NITZDNHDDYOVDD-KRWDZBQOSA-N 2 2 309.413 3.159 20 0 DGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000648757879 435412523 /nfs/dbraw/zinc/41/25/23/435412523.db2.gz OSFDAAYTGXSOQR-ZDUSSCGKSA-N 2 2 323.400 3.425 20 0 DGADLP C[NH+](C)C1(CN[C@H](c2[nH]cc[nH+]2)C2CCCCC2)CCCC1 ZINC000514081224 435412625 /nfs/dbraw/zinc/41/26/25/435412625.db2.gz BASGKWFRGKKJFZ-INIZCTEOSA-N 2 2 304.482 3.495 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000481310766 435418780 /nfs/dbraw/zinc/41/87/80/435418780.db2.gz UHSLIKGWZUIYQZ-IBGZPJMESA-N 2 2 322.468 3.441 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622972 435365969 /nfs/dbraw/zinc/36/59/69/435365969.db2.gz ZIJFZAIWJZOWKY-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622972 435365973 /nfs/dbraw/zinc/36/59/73/435365973.db2.gz ZIJFZAIWJZOWKY-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000567911320 435370265 /nfs/dbraw/zinc/37/02/65/435370265.db2.gz QEBCIQMNBGEUOT-UHFFFAOYSA-N 2 2 305.372 3.296 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000567911320 435370271 /nfs/dbraw/zinc/37/02/71/435370271.db2.gz QEBCIQMNBGEUOT-UHFFFAOYSA-N 2 2 305.372 3.296 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000480246323 435372310 /nfs/dbraw/zinc/37/23/10/435372310.db2.gz YPUHOJYZNIIMFM-KURKYZTESA-N 2 2 304.478 3.453 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536371725 435378210 /nfs/dbraw/zinc/37/82/10/435378210.db2.gz SJSVYFYUGUXFNH-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP C[C@H](CCCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674334 435379731 /nfs/dbraw/zinc/37/97/31/435379731.db2.gz QOMNVBZMLTZBCO-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674334 435379737 /nfs/dbraw/zinc/37/97/37/435379737.db2.gz QOMNVBZMLTZBCO-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000513361822 435384690 /nfs/dbraw/zinc/38/46/90/435384690.db2.gz PNXFWRONKOSEFB-JZIMQPMSSA-N 2 2 322.880 3.130 20 0 DGADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000513361822 435384693 /nfs/dbraw/zinc/38/46/93/435384693.db2.gz PNXFWRONKOSEFB-JZIMQPMSSA-N 2 2 322.880 3.130 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)cc1OC ZINC000480743076 435394123 /nfs/dbraw/zinc/39/41/23/435394123.db2.gz YLPLWFHGTBXXKJ-VYDXJSESSA-N 2 2 320.477 3.475 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)cc1OC ZINC000480743076 435394127 /nfs/dbraw/zinc/39/41/27/435394127.db2.gz YLPLWFHGTBXXKJ-VYDXJSESSA-N 2 2 320.477 3.475 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000480793396 435395235 /nfs/dbraw/zinc/39/52/35/435395235.db2.gz DUWSZRINUQPZBS-APWZRJJASA-N 2 2 322.468 3.237 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000644529911 435447923 /nfs/dbraw/zinc/44/79/23/435447923.db2.gz JKKXTSNHPKVNSI-OXQOHEQNSA-N 2 2 321.424 3.127 20 0 DGADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988733 435481179 /nfs/dbraw/zinc/48/11/79/435481179.db2.gz XPIGMXCJZBKEAM-MRXNPFEDSA-N 2 2 323.525 3.020 20 0 DGADLP CN(c1ccccc1)c1cc(NCC[C@@H]2CCC[NH2+]C2)[nH+]cn1 ZINC000568404720 435434744 /nfs/dbraw/zinc/43/47/44/435434744.db2.gz JARALHZUBWENRG-HNNXBMFYSA-N 2 2 311.433 3.046 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2ccc(Br)cc2)n1C ZINC000569260982 435518904 /nfs/dbraw/zinc/51/89/04/435518904.db2.gz XTHUECOGIBJGAQ-LLVKDONJSA-N 2 2 322.250 3.212 20 0 DGADLP CC(C)[N@H+](C)CC1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000516386941 435529865 /nfs/dbraw/zinc/52/98/65/435529865.db2.gz GYEOWDYVCXPOPU-UHFFFAOYSA-N 2 2 318.440 3.269 20 0 DGADLP CC(C)[N@@H+](C)CC1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000516386941 435529869 /nfs/dbraw/zinc/52/98/69/435529869.db2.gz GYEOWDYVCXPOPU-UHFFFAOYSA-N 2 2 318.440 3.269 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644885245 435534014 /nfs/dbraw/zinc/53/40/14/435534014.db2.gz KXLLNIKBMFUYFW-VZEGMYIASA-N 2 2 314.473 3.310 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644885245 435534017 /nfs/dbraw/zinc/53/40/17/435534017.db2.gz KXLLNIKBMFUYFW-VZEGMYIASA-N 2 2 314.473 3.310 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccc2c(n1)CCC2)C1CCCCC1 ZINC000568958630 435487946 /nfs/dbraw/zinc/48/79/46/435487946.db2.gz CICWXZRBDMTWTM-UHFFFAOYSA-N 2 2 301.478 3.315 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccc2c(n1)CCC2)C1CCCCC1 ZINC000568958630 435487952 /nfs/dbraw/zinc/48/79/52/435487952.db2.gz CICWXZRBDMTWTM-UHFFFAOYSA-N 2 2 301.478 3.315 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000569073999 435499721 /nfs/dbraw/zinc/49/97/21/435499721.db2.gz SUEPMFNWFZXGFF-LVFSCSRESA-N 2 2 304.478 3.397 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000569603221 435547099 /nfs/dbraw/zinc/54/70/99/435547099.db2.gz YAYNVLALRZKTGW-KSSFIOAISA-N 2 2 312.417 3.231 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484565107 435547647 /nfs/dbraw/zinc/54/76/47/435547647.db2.gz BQCRDHKWZGWHJI-HOTGVXAUSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484565107 435547652 /nfs/dbraw/zinc/54/76/52/435547652.db2.gz BQCRDHKWZGWHJI-HOTGVXAUSA-N 2 2 322.880 3.445 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000569706641 435555804 /nfs/dbraw/zinc/55/58/04/435555804.db2.gz QZJXZMGIQOGKOI-AWEZNQCLSA-N 2 2 319.836 3.332 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000649287325 435557230 /nfs/dbraw/zinc/55/72/30/435557230.db2.gz PGYSINHIQZRAIO-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000649287325 435557233 /nfs/dbraw/zinc/55/72/33/435557233.db2.gz PGYSINHIQZRAIO-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP Cc1ccc2[nH+]ccc(NCCc3[nH]c4ccccc4[nH+]3)c2c1 ZINC000645032428 435559188 /nfs/dbraw/zinc/55/91/88/435559188.db2.gz CWDCGAPZYQUJDQ-UHFFFAOYSA-N 2 2 302.381 3.496 20 0 DGADLP CC[N@@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C1 ZINC000539738497 435566122 /nfs/dbraw/zinc/56/61/22/435566122.db2.gz YCWBNDIHYARXII-DOTOQJQBSA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C1 ZINC000539738497 435566125 /nfs/dbraw/zinc/56/61/25/435566125.db2.gz YCWBNDIHYARXII-DOTOQJQBSA-N 2 2 302.466 3.214 20 0 DGADLP c1cc2c(nc[nH+]c2N[C@@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)[nH]1 ZINC000649367195 435570298 /nfs/dbraw/zinc/57/02/98/435570298.db2.gz BVYYBKBHSFYMNW-JOCQHMNTSA-N 2 2 308.389 3.188 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CC3 ZINC000539812668 435571339 /nfs/dbraw/zinc/57/13/39/435571339.db2.gz ASSQTNVACKEOPX-JKSUJKDBSA-N 2 2 311.473 3.265 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CC3 ZINC000539812668 435571342 /nfs/dbraw/zinc/57/13/42/435571342.db2.gz ASSQTNVACKEOPX-JKSUJKDBSA-N 2 2 311.473 3.265 20 0 DGADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000569985741 435577768 /nfs/dbraw/zinc/57/77/68/435577768.db2.gz RNBHWCQXDKLCRS-KGLIPLIRSA-N 2 2 301.409 3.500 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000422917079 298895212 /nfs/dbraw/zinc/89/52/12/298895212.db2.gz FMBJJBIKHZZVII-AGIUHOORSA-N 2 2 316.367 3.123 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414926 435582149 /nfs/dbraw/zinc/58/21/49/435582149.db2.gz AECOAFMRXACKRK-BBRMVZONSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414926 435582156 /nfs/dbraw/zinc/58/21/56/435582156.db2.gz AECOAFMRXACKRK-BBRMVZONSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@@H]1C[NH+](CCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000517205438 435582500 /nfs/dbraw/zinc/58/25/00/435582500.db2.gz ZNEAVDKOXIFWSE-BETUJISGSA-N 2 2 310.379 3.331 20 0 DGADLP C[C@@H]1C[NH+](CCC[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000517205438 435582504 /nfs/dbraw/zinc/58/25/04/435582504.db2.gz ZNEAVDKOXIFWSE-BETUJISGSA-N 2 2 310.379 3.331 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000517205438 435582509 /nfs/dbraw/zinc/58/25/09/435582509.db2.gz ZNEAVDKOXIFWSE-BETUJISGSA-N 2 2 310.379 3.331 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000517205438 435582514 /nfs/dbraw/zinc/58/25/14/435582514.db2.gz ZNEAVDKOXIFWSE-BETUJISGSA-N 2 2 310.379 3.331 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000649416110 435584008 /nfs/dbraw/zinc/58/40/08/435584008.db2.gz OUZNTQVFLWBRAN-UHFFFAOYSA-N 2 2 305.422 3.262 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C12CCCCC2 ZINC000539124298 435540681 /nfs/dbraw/zinc/54/06/81/435540681.db2.gz OZZDUARGPXTSGR-LAVFITLUSA-N 2 2 306.494 3.187 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C12CCCCC2 ZINC000539124298 435540682 /nfs/dbraw/zinc/54/06/82/435540682.db2.gz OZZDUARGPXTSGR-LAVFITLUSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516659696 435545127 /nfs/dbraw/zinc/54/51/27/435545127.db2.gz BHWCGSWLKYZFRH-LLVKDONJSA-N 2 2 308.788 3.085 20 0 DGADLP C[C@H]1CCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000540618664 435609314 /nfs/dbraw/zinc/60/93/14/435609314.db2.gz SBYXJLZYADETAQ-STQMWFEESA-N 2 2 308.389 3.059 20 0 DGADLP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000518363638 435636625 /nfs/dbraw/zinc/63/66/25/435636625.db2.gz BGAYXOUCRYWUAG-TXLGJMDYSA-N 2 2 304.478 3.209 20 0 DGADLP Fc1cc(C[NH2+]C/C=C/c2ccncc2)ccc1-n1cc[nH+]c1 ZINC000486933679 435621711 /nfs/dbraw/zinc/62/17/11/435621711.db2.gz ACDUCXYYHJKGNJ-OWOJBTEDSA-N 2 2 308.360 3.209 20 0 DGADLP C[C@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000570538446 435627883 /nfs/dbraw/zinc/62/78/83/435627883.db2.gz REGGVAMRVGFSFD-CGTJXYLNSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000570538446 435627886 /nfs/dbraw/zinc/62/78/86/435627886.db2.gz REGGVAMRVGFSFD-CGTJXYLNSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143889 435593600 /nfs/dbraw/zinc/59/36/00/435593600.db2.gz WQSMJSOLBBKTKZ-MDZRGWNJSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143889 435593603 /nfs/dbraw/zinc/59/36/03/435593603.db2.gz WQSMJSOLBBKTKZ-MDZRGWNJSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285846 435596582 /nfs/dbraw/zinc/59/65/82/435596582.db2.gz QNPRKBQCKFJBSE-GOEBONIOSA-N 2 2 306.413 3.232 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285846 435596586 /nfs/dbraw/zinc/59/65/86/435596586.db2.gz QNPRKBQCKFJBSE-GOEBONIOSA-N 2 2 306.413 3.232 20 0 DGADLP CC(C)c1nnc(C[N@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640533408 435598064 /nfs/dbraw/zinc/59/80/64/435598064.db2.gz HZMAMKAOQAUUIZ-UHFFFAOYSA-N 2 2 310.511 3.359 20 0 DGADLP CC(C)c1nnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640533408 435598069 /nfs/dbraw/zinc/59/80/69/435598069.db2.gz HZMAMKAOQAUUIZ-UHFFFAOYSA-N 2 2 310.511 3.359 20 0 DGADLP C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488725635 435642845 /nfs/dbraw/zinc/64/28/45/435642845.db2.gz UWKUNXKVZIGJJP-DVOMOZLQSA-N 2 2 301.459 3.463 20 0 DGADLP C[C@H]1C[C@H]1[N@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488725635 435642851 /nfs/dbraw/zinc/64/28/51/435642851.db2.gz UWKUNXKVZIGJJP-DVOMOZLQSA-N 2 2 301.459 3.463 20 0 DGADLP Cc1nc(C2([NH2+]CCc3cc[nH+]cc3C)CCCCC2)no1 ZINC000570798105 435651966 /nfs/dbraw/zinc/65/19/66/435651966.db2.gz RZVDAWQUDHJYNL-UHFFFAOYSA-N 2 2 300.406 3.073 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC000518768122 435653836 /nfs/dbraw/zinc/65/38/36/435653836.db2.gz HZSQWHGPACOONZ-IBGZPJMESA-N 2 2 304.478 3.058 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000518768122 435653839 /nfs/dbraw/zinc/65/38/39/435653839.db2.gz HZSQWHGPACOONZ-IBGZPJMESA-N 2 2 304.478 3.058 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000571135169 435681012 /nfs/dbraw/zinc/68/10/12/435681012.db2.gz RTTUSPYMNHAXMG-SMYFESCOSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000571135169 435681014 /nfs/dbraw/zinc/68/10/14/435681014.db2.gz RTTUSPYMNHAXMG-SMYFESCOSA-N 2 2 302.462 3.195 20 0 DGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000641113060 435694373 /nfs/dbraw/zinc/69/43/73/435694373.db2.gz VNDOIGNSCSSKFQ-KRWDZBQOSA-N 2 2 301.438 3.063 20 0 DGADLP FC1(F)CC12CC[NH+](CC[NH+]1CCC3(CC3(F)F)CC1)CC2 ZINC000649774397 435700481 /nfs/dbraw/zinc/70/04/81/435700481.db2.gz DGYUMZCGXISVDI-UHFFFAOYSA-N 2 2 320.374 3.229 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000641273101 435724181 /nfs/dbraw/zinc/72/41/81/435724181.db2.gz INXWGJMIHGRKQF-UHFFFAOYSA-N 2 2 310.445 3.096 20 0 DGADLP COc1cccc([C@H](C)[NH+]2CCN(c3cc[nH+]cc3F)CC2)c1 ZINC000641343840 435732353 /nfs/dbraw/zinc/73/23/53/435732353.db2.gz GXTOQMPXUUVQOV-AWEZNQCLSA-N 2 2 315.392 3.113 20 0 DGADLP c1csc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655695397 435732700 /nfs/dbraw/zinc/73/27/00/435732700.db2.gz LKZBHIFACBJRJS-DOTOQJQBSA-N 2 2 306.475 3.042 20 0 DGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000655704977 435735603 /nfs/dbraw/zinc/73/56/03/435735603.db2.gz SAVRNZXJMHMLQO-UHFFFAOYSA-N 2 2 318.852 3.018 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000655701393 435737899 /nfs/dbraw/zinc/73/78/99/435737899.db2.gz VQIDBIAEVLVKHR-MGPUTAFESA-N 2 2 314.473 3.079 20 0 DGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708634 435739904 /nfs/dbraw/zinc/73/99/04/435739904.db2.gz RLSSLGHXYMWYBQ-QXAKKESOSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1ccoc1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000491401480 435742787 /nfs/dbraw/zinc/74/27/87/435742787.db2.gz PNQTUCQWXBVSFT-UHFFFAOYSA-N 2 2 305.447 3.101 20 0 DGADLP Cc1ccoc1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000491401480 435742794 /nfs/dbraw/zinc/74/27/94/435742794.db2.gz PNQTUCQWXBVSFT-UHFFFAOYSA-N 2 2 305.447 3.101 20 0 DGADLP CC[C@@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549165013 435745251 /nfs/dbraw/zinc/74/52/51/435745251.db2.gz HEFSJUWGQKAVDB-QHAWAJNXSA-N 2 2 324.468 3.015 20 0 DGADLP CC[C@@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549165013 435745258 /nfs/dbraw/zinc/74/52/58/435745258.db2.gz HEFSJUWGQKAVDB-QHAWAJNXSA-N 2 2 324.468 3.015 20 0 DGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716728 435746502 /nfs/dbraw/zinc/74/65/02/435746502.db2.gz YITWQHSKWYKHGC-OWYHZJEWSA-N 2 2 308.510 3.290 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499430 435748386 /nfs/dbraw/zinc/74/83/86/435748386.db2.gz NQXKHLRRQBDDKQ-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499430 435748391 /nfs/dbraw/zinc/74/83/91/435748391.db2.gz NQXKHLRRQBDDKQ-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655723582 435749743 /nfs/dbraw/zinc/74/97/43/435749743.db2.gz LVGRMHNDNXUZOS-RLLQIKCJSA-N 2 2 314.473 3.166 20 0 DGADLP Cc1nc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)co1 ZINC000660451957 435750665 /nfs/dbraw/zinc/75/06/65/435750665.db2.gz MTCWQWWPYPYZIP-UHFFFAOYSA-N 2 2 310.401 3.478 20 0 DGADLP Clc1cccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000655741608 435763223 /nfs/dbraw/zinc/76/32/23/435763223.db2.gz ABEBDICUGSPSMY-QGZVFWFLSA-N 2 2 320.864 3.172 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917635 435755144 /nfs/dbraw/zinc/75/51/44/435755144.db2.gz VXRBNPUKOIVBDE-FHWLQOOXSA-N 2 2 311.429 3.186 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917635 435755149 /nfs/dbraw/zinc/75/51/49/435755149.db2.gz VXRBNPUKOIVBDE-FHWLQOOXSA-N 2 2 311.429 3.186 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811465 435714048 /nfs/dbraw/zinc/71/40/48/435714048.db2.gz SRAVUZGKYCZUES-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811465 435714051 /nfs/dbraw/zinc/71/40/51/435714051.db2.gz SRAVUZGKYCZUES-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H](C)C2 ZINC000491258401 435721847 /nfs/dbraw/zinc/72/18/47/435721847.db2.gz DASKUIHYNQXJMV-OGNFBWPZSA-N 2 2 316.489 3.317 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860517 435723406 /nfs/dbraw/zinc/72/34/06/435723406.db2.gz WTPXTIMFGPYODO-RTBURBONSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860517 435723410 /nfs/dbraw/zinc/72/34/10/435723410.db2.gz WTPXTIMFGPYODO-RTBURBONSA-N 2 2 314.473 3.200 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C2CC2)c1 ZINC000655771587 435788201 /nfs/dbraw/zinc/78/82/01/435788201.db2.gz NEXCWFOXYQNWDY-FOIQADDNSA-N 2 2 314.473 3.468 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000550143631 435793531 /nfs/dbraw/zinc/79/35/31/435793531.db2.gz ARDYDVKCIXVCMF-FGTMMUONSA-N 2 2 324.509 3.353 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000550143631 435793540 /nfs/dbraw/zinc/79/35/40/435793540.db2.gz ARDYDVKCIXVCMF-FGTMMUONSA-N 2 2 324.509 3.353 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000550199807 435794551 /nfs/dbraw/zinc/79/45/51/435794551.db2.gz NJVNDEXDDWQQHS-MSOLQXFVSA-N 2 2 322.493 3.130 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000550199807 435794556 /nfs/dbraw/zinc/79/45/56/435794556.db2.gz NJVNDEXDDWQQHS-MSOLQXFVSA-N 2 2 322.493 3.130 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000550143633 435795974 /nfs/dbraw/zinc/79/59/74/435795974.db2.gz ARDYDVKCIXVCMF-OKZBNKHCSA-N 2 2 324.509 3.353 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000550143633 435795980 /nfs/dbraw/zinc/79/59/80/435795980.db2.gz ARDYDVKCIXVCMF-OKZBNKHCSA-N 2 2 324.509 3.353 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1OC ZINC000655792460 435798614 /nfs/dbraw/zinc/79/86/14/435798614.db2.gz YYLLUUXLTAQWEJ-IUDNXUCKSA-N 2 2 306.450 3.055 20 0 DGADLP COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1Cl ZINC000660542477 435799802 /nfs/dbraw/zinc/79/98/02/435799802.db2.gz RGENLMPLMWFHOL-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1Cl ZINC000660542477 435799809 /nfs/dbraw/zinc/79/98/09/435799809.db2.gz RGENLMPLMWFHOL-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Cl ZINC000660542477 435799813 /nfs/dbraw/zinc/79/98/13/435799813.db2.gz RGENLMPLMWFHOL-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000660542477 435799816 /nfs/dbraw/zinc/79/98/16/435799816.db2.gz RGENLMPLMWFHOL-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP CSc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000641728197 435801836 /nfs/dbraw/zinc/80/18/36/435801836.db2.gz MGNOLPBTOJRZCA-UHFFFAOYSA-N 2 2 308.422 3.492 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)n1cc[nH+]c1 ZINC000650064466 435804226 /nfs/dbraw/zinc/80/42/26/435804226.db2.gz ATZFSUHVBVPLHN-ZDUSSCGKSA-N 2 2 323.400 3.087 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651725384 435804720 /nfs/dbraw/zinc/80/47/20/435804720.db2.gz BNXGHSUKTQMEPW-MAUKXSAKSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000651725384 435804729 /nfs/dbraw/zinc/80/47/29/435804729.db2.gz BNXGHSUKTQMEPW-MAUKXSAKSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000651725386 435805690 /nfs/dbraw/zinc/80/56/90/435805690.db2.gz BNXGHSUKTQMEPW-YJBOKZPZSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000651725386 435805694 /nfs/dbraw/zinc/80/56/94/435805694.db2.gz BNXGHSUKTQMEPW-YJBOKZPZSA-N 2 2 312.461 3.061 20 0 DGADLP Clc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000550659661 435808372 /nfs/dbraw/zinc/80/83/72/435808372.db2.gz BKCLRKXKSNDZSI-QGZVFWFLSA-N 2 2 308.853 3.027 20 0 DGADLP Clc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000550659661 435808378 /nfs/dbraw/zinc/80/83/78/435808378.db2.gz BKCLRKXKSNDZSI-QGZVFWFLSA-N 2 2 308.853 3.027 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000551006708 435816534 /nfs/dbraw/zinc/81/65/34/435816534.db2.gz IKMHEYLKSDUFQJ-RBUKOAKNSA-N 3 2 312.461 3.088 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000551006708 435816539 /nfs/dbraw/zinc/81/65/39/435816539.db2.gz IKMHEYLKSDUFQJ-RBUKOAKNSA-N 3 2 312.461 3.088 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1 ZINC000571994397 435766864 /nfs/dbraw/zinc/76/68/64/435766864.db2.gz PTVZUPOZESFDQQ-TZMCWYRMSA-N 2 2 318.383 3.019 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472863 435768006 /nfs/dbraw/zinc/76/80/06/435768006.db2.gz AAYOOEWEEHNIAJ-FQEVSTJZSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472863 435768016 /nfs/dbraw/zinc/76/80/16/435768016.db2.gz AAYOOEWEEHNIAJ-FQEVSTJZSA-N 2 2 316.489 3.114 20 0 DGADLP Brc1c2ccccc2oc1C[NH2+]CCC[NH+]1CCC1 ZINC000655753645 435772966 /nfs/dbraw/zinc/77/29/66/435772966.db2.gz AVNTVHUYJGILDU-UHFFFAOYSA-N 2 2 323.234 3.381 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1(CO)CC=CC1 ZINC000646083279 435774070 /nfs/dbraw/zinc/77/40/70/435774070.db2.gz UCBHSLVGDQGANA-IBGZPJMESA-N 2 2 316.489 3.061 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1(CO)CC=CC1 ZINC000646083279 435774075 /nfs/dbraw/zinc/77/40/75/435774075.db2.gz UCBHSLVGDQGANA-IBGZPJMESA-N 2 2 316.489 3.061 20 0 DGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655756427 435776579 /nfs/dbraw/zinc/77/65/79/435776579.db2.gz FMKRSUBABKFHBW-ZHALLVOQSA-N 2 2 308.510 3.434 20 0 DGADLP CC[N@H+](CCNc1cc(C)[nH+]c(C(C)C)n1)CCC(F)(F)F ZINC000491589852 435778441 /nfs/dbraw/zinc/77/84/41/435778441.db2.gz UWVDMANELWPEEG-UHFFFAOYSA-N 2 2 318.387 3.017 20 0 DGADLP CC[N@@H+](CCNc1cc(C)[nH+]c(C(C)C)n1)CCC(F)(F)F ZINC000491589852 435778450 /nfs/dbraw/zinc/77/84/50/435778450.db2.gz UWVDMANELWPEEG-UHFFFAOYSA-N 2 2 318.387 3.017 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1nc2ccccc2n1C(F)F ZINC000641801379 435828015 /nfs/dbraw/zinc/82/80/15/435828015.db2.gz BWGNBLLQHXVABD-BIMULSAOSA-N 2 2 308.376 3.208 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1nc2ccccc2n1C(F)F ZINC000641801392 435828632 /nfs/dbraw/zinc/82/86/32/435828632.db2.gz BWGNBLLQHXVABD-ZWKOPEQDSA-N 2 2 308.376 3.208 20 0 DGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000641804995 435829174 /nfs/dbraw/zinc/82/91/74/435829174.db2.gz LHMCMIYPQJLWGY-KBPBESRZSA-N 2 2 305.809 3.210 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000651808961 435831365 /nfs/dbraw/zinc/83/13/65/435831365.db2.gz JUVDWARJFKJFSA-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000651808961 435831371 /nfs/dbraw/zinc/83/13/71/435831371.db2.gz JUVDWARJFKJFSA-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cn2)[C@@H]1C ZINC000641809259 435831558 /nfs/dbraw/zinc/83/15/58/435831558.db2.gz QFNGLARZGKCKQO-JTNHKYCSSA-N 2 2 301.356 3.048 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@@H]1C ZINC000641809259 435831565 /nfs/dbraw/zinc/83/15/65/435831565.db2.gz QFNGLARZGKCKQO-JTNHKYCSSA-N 2 2 301.356 3.048 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000655839648 435833363 /nfs/dbraw/zinc/83/33/63/435833363.db2.gz VXRZDJIZXPCXRY-HDJSIYSDSA-N 2 2 322.415 3.339 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000655849184 435838764 /nfs/dbraw/zinc/83/87/64/435838764.db2.gz PWHWBVPPDJCSMB-BPQIPLTHSA-N 2 2 304.482 3.002 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000655849184 435838771 /nfs/dbraw/zinc/83/87/71/435838771.db2.gz PWHWBVPPDJCSMB-BPQIPLTHSA-N 2 2 304.482 3.002 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572542761 435839222 /nfs/dbraw/zinc/83/92/22/435839222.db2.gz MDWLRCHQPCUYAL-FHWLQOOXSA-N 2 2 306.494 3.166 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572542761 435839228 /nfs/dbraw/zinc/83/92/28/435839228.db2.gz MDWLRCHQPCUYAL-FHWLQOOXSA-N 2 2 306.494 3.166 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1C(C)C ZINC000655848534 435840188 /nfs/dbraw/zinc/84/01/88/435840188.db2.gz HINXQAJQFMZOKO-WBAXXEDZSA-N 2 2 304.482 3.440 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1C(C)C ZINC000655848534 435840194 /nfs/dbraw/zinc/84/01/94/435840194.db2.gz HINXQAJQFMZOKO-WBAXXEDZSA-N 2 2 304.482 3.440 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657119 435840758 /nfs/dbraw/zinc/84/07/58/435840758.db2.gz VUJRCNWMWRNHAM-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657119 435840764 /nfs/dbraw/zinc/84/07/64/435840764.db2.gz VUJRCNWMWRNHAM-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657119 435840770 /nfs/dbraw/zinc/84/07/70/435840770.db2.gz VUJRCNWMWRNHAM-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657119 435840773 /nfs/dbraw/zinc/84/07/73/435840773.db2.gz VUJRCNWMWRNHAM-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655849079 435840910 /nfs/dbraw/zinc/84/09/10/435840910.db2.gz MNGSXGVMKIPWOC-KYNGSXCRSA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655849079 435840922 /nfs/dbraw/zinc/84/09/22/435840922.db2.gz MNGSXGVMKIPWOC-KYNGSXCRSA-N 2 2 315.461 3.313 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850396 435841884 /nfs/dbraw/zinc/84/18/84/435841884.db2.gz IAFRUCJDFLQGKG-QRQLOZEOSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850396 435841891 /nfs/dbraw/zinc/84/18/91/435841891.db2.gz IAFRUCJDFLQGKG-QRQLOZEOSA-N 2 2 301.478 3.399 20 0 DGADLP CC(C)c1cc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000551589731 435843891 /nfs/dbraw/zinc/84/38/91/435843891.db2.gz FNOYSWXXBLMFSO-CJNGLKHVSA-N 2 2 302.466 3.040 20 0 DGADLP CC(C)c1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000551589731 435843897 /nfs/dbraw/zinc/84/38/97/435843897.db2.gz FNOYSWXXBLMFSO-CJNGLKHVSA-N 2 2 302.466 3.040 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656143 435844165 /nfs/dbraw/zinc/84/41/65/435844165.db2.gz QDJMGUWBPTVZII-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656143 435844171 /nfs/dbraw/zinc/84/41/71/435844171.db2.gz QDJMGUWBPTVZII-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656143 435844175 /nfs/dbraw/zinc/84/41/75/435844175.db2.gz QDJMGUWBPTVZII-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656143 435844179 /nfs/dbraw/zinc/84/41/79/435844179.db2.gz QDJMGUWBPTVZII-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000655855944 435844902 /nfs/dbraw/zinc/84/49/02/435844902.db2.gz JGPLLSYHRXHBLE-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000655855944 435844909 /nfs/dbraw/zinc/84/49/09/435844909.db2.gz JGPLLSYHRXHBLE-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000655855947 435846533 /nfs/dbraw/zinc/84/65/33/435846533.db2.gz JGPLLSYHRXHBLE-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000655855947 435846538 /nfs/dbraw/zinc/84/65/38/435846538.db2.gz JGPLLSYHRXHBLE-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662679 435847813 /nfs/dbraw/zinc/84/78/13/435847813.db2.gz KZMOOOFMABXWFW-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662679 435847822 /nfs/dbraw/zinc/84/78/22/435847822.db2.gz KZMOOOFMABXWFW-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662679 435847829 /nfs/dbraw/zinc/84/78/29/435847829.db2.gz KZMOOOFMABXWFW-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662679 435847834 /nfs/dbraw/zinc/84/78/34/435847834.db2.gz KZMOOOFMABXWFW-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP Cc1ccccc1C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000551789865 435851418 /nfs/dbraw/zinc/85/14/18/435851418.db2.gz UAFCLXMYNLZIQS-MOPGFXCFSA-N 2 2 318.530 3.343 20 0 DGADLP c1ccc(C[NH2+]C2CC[NH+](CCOCC3CCCC3)CC2)cc1 ZINC000660676755 435855076 /nfs/dbraw/zinc/85/50/76/435855076.db2.gz APLFTSBBFWPKES-UHFFFAOYSA-N 2 2 316.489 3.447 20 0 DGADLP CCn1cc(C[N@H+](CCCc2ccc(C)[nH+]c2)C(C)C)cn1 ZINC000651960066 435878452 /nfs/dbraw/zinc/87/84/52/435878452.db2.gz OUDGKQRFVMKQHC-UHFFFAOYSA-N 2 2 300.450 3.450 20 0 DGADLP CCn1cc(C[N@@H+](CCCc2ccc(C)[nH+]c2)C(C)C)cn1 ZINC000651960066 435878455 /nfs/dbraw/zinc/87/84/55/435878455.db2.gz OUDGKQRFVMKQHC-UHFFFAOYSA-N 2 2 300.450 3.450 20 0 DGADLP c1ccc(C[NH2+]C2CC[NH+](CCOCc3ccccc3)CC2)cc1 ZINC000660679453 435857016 /nfs/dbraw/zinc/85/70/16/435857016.db2.gz KSRJNCMIJZOJIW-UHFFFAOYSA-N 2 2 324.468 3.457 20 0 DGADLP CC(C)n1c[nH+]cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000651900320 435858643 /nfs/dbraw/zinc/85/86/43/435858643.db2.gz MXYFQFIVZGWFAH-UHFFFAOYSA-N 2 2 305.319 3.330 20 0 DGADLP Cc1cccc(Cl)c1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660699055 435863496 /nfs/dbraw/zinc/86/34/96/435863496.db2.gz VHNQJSGIWRFHAN-UHFFFAOYSA-N 2 2 324.896 3.221 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660707971 435865177 /nfs/dbraw/zinc/86/51/77/435865177.db2.gz KKKSQVBYXJIASK-NSHDSACASA-N 2 2 317.824 3.414 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660707971 435865184 /nfs/dbraw/zinc/86/51/84/435865184.db2.gz KKKSQVBYXJIASK-NSHDSACASA-N 2 2 317.824 3.414 20 0 DGADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000651911643 435865552 /nfs/dbraw/zinc/86/55/52/435865552.db2.gz NYSBIMTZMUIGID-FUHWJXTLSA-N 2 2 301.478 3.460 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000552009571 435869181 /nfs/dbraw/zinc/86/91/81/435869181.db2.gz OJRQWRVVYWPEBH-QRYYFKOISA-N 2 2 302.462 3.168 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000552009571 435869189 /nfs/dbraw/zinc/86/91/89/435869189.db2.gz OJRQWRVVYWPEBH-QRYYFKOISA-N 2 2 302.462 3.168 20 0 DGADLP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@@H+]1C ZINC000642194104 435869507 /nfs/dbraw/zinc/86/95/07/435869507.db2.gz VALXCSMMQZKGDL-ZYHUDNBSSA-N 2 2 313.380 3.145 20 0 DGADLP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@H+]1C ZINC000642194104 435869509 /nfs/dbraw/zinc/86/95/09/435869509.db2.gz VALXCSMMQZKGDL-ZYHUDNBSSA-N 2 2 313.380 3.145 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722440 435870465 /nfs/dbraw/zinc/87/04/65/435870465.db2.gz IFZNFMHSIKGSAV-HCXYKTFWSA-N 2 2 320.521 3.245 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722440 435870471 /nfs/dbraw/zinc/87/04/71/435870471.db2.gz IFZNFMHSIKGSAV-HCXYKTFWSA-N 2 2 320.521 3.245 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722440 435870476 /nfs/dbraw/zinc/87/04/76/435870476.db2.gz IFZNFMHSIKGSAV-HCXYKTFWSA-N 2 2 320.521 3.245 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722440 435870480 /nfs/dbraw/zinc/87/04/80/435870480.db2.gz IFZNFMHSIKGSAV-HCXYKTFWSA-N 2 2 320.521 3.245 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000641803413 435826905 /nfs/dbraw/zinc/82/69/05/435826905.db2.gz FNJPXUMDLQZVAI-BIMULSAOSA-N 2 2 320.824 3.166 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000641802505 435827345 /nfs/dbraw/zinc/82/73/45/435827345.db2.gz MACQBHDXCYVWJB-KGLIPLIRSA-N 2 2 305.422 3.165 20 0 DGADLP COc1c(C)[nH+]cnc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000656108005 435891601 /nfs/dbraw/zinc/89/16/01/435891601.db2.gz IYRXDFQDJQJARV-UHFFFAOYSA-N 2 2 312.417 3.002 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](CCOCC4CC4)CC3)[nH]c2c1 ZINC000660855308 435908912 /nfs/dbraw/zinc/90/89/12/435908912.db2.gz NWMQOSFJEWBZFL-UHFFFAOYSA-N 2 2 313.445 3.244 20 0 DGADLP Cc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)on1 ZINC000660852000 435909764 /nfs/dbraw/zinc/90/97/64/435909764.db2.gz CNEROQWQGRVDKX-UHFFFAOYSA-N 2 2 310.401 3.314 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656229180 435919482 /nfs/dbraw/zinc/91/94/82/435919482.db2.gz ZOENQXNBYWGEIG-DZGCQCFKSA-N 2 2 302.397 3.141 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656229180 435919485 /nfs/dbraw/zinc/91/94/85/435919485.db2.gz ZOENQXNBYWGEIG-DZGCQCFKSA-N 2 2 302.397 3.141 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000660911273 435920879 /nfs/dbraw/zinc/92/08/79/435920879.db2.gz RVUKNRXYRVUHMA-AWEZNQCLSA-N 2 2 310.869 3.010 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000660911273 435920883 /nfs/dbraw/zinc/92/08/83/435920883.db2.gz RVUKNRXYRVUHMA-AWEZNQCLSA-N 2 2 310.869 3.010 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665238231 435924207 /nfs/dbraw/zinc/92/42/07/435924207.db2.gz UIBZPMWRCJIEJZ-RDBSUJKOSA-N 2 2 308.388 3.126 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656254548 435925415 /nfs/dbraw/zinc/92/54/15/435925415.db2.gz BDWWSHLKWFUVSA-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000656254548 435925420 /nfs/dbraw/zinc/92/54/20/435925420.db2.gz BDWWSHLKWFUVSA-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656254548 435925424 /nfs/dbraw/zinc/92/54/24/435925424.db2.gz BDWWSHLKWFUVSA-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656254548 435925428 /nfs/dbraw/zinc/92/54/28/435925428.db2.gz BDWWSHLKWFUVSA-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1c[nH+]ccc1N ZINC000665238400 435925483 /nfs/dbraw/zinc/92/54/83/435925483.db2.gz XTEOQPSASGDJIF-IINYFYTJSA-N 2 2 317.355 3.035 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000652222050 435925996 /nfs/dbraw/zinc/92/59/96/435925996.db2.gz DKMOXYHRURHXBZ-HNNXBMFYSA-N 2 2 302.466 3.202 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000652222050 435926000 /nfs/dbraw/zinc/92/60/00/435926000.db2.gz DKMOXYHRURHXBZ-HNNXBMFYSA-N 2 2 302.466 3.202 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)[C@H]1CCCC[NH2+]1 ZINC000665244558 435926329 /nfs/dbraw/zinc/92/63/29/435926329.db2.gz QLZFTOHYECPSTQ-JKSUJKDBSA-N 2 2 306.425 3.377 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C12CCC2 ZINC000665251519 435928075 /nfs/dbraw/zinc/92/80/75/435928075.db2.gz RLCJSYTUOCUWRE-MKXGPGLRSA-N 2 2 314.473 3.069 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000665254566 435930519 /nfs/dbraw/zinc/93/05/19/435930519.db2.gz TYLUYFVWNBAZGQ-NCXUSEDFSA-N 2 2 320.452 3.064 20 0 DGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000665254722 435930882 /nfs/dbraw/zinc/93/08/82/435930882.db2.gz XZCQOPXPTDODHR-GDIGMMSISA-N 2 2 313.420 3.325 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259342 435932354 /nfs/dbraw/zinc/93/23/54/435932354.db2.gz CIHLSKGEFKRFIO-QIJZBDPFSA-N 2 2 306.425 3.058 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257134 435933125 /nfs/dbraw/zinc/93/31/25/435933125.db2.gz AUKMLUFAKDJDPH-LSBZLQRGSA-N 2 2 313.420 3.325 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2cccc(Br)c21 ZINC000665276818 435937047 /nfs/dbraw/zinc/93/70/47/435937047.db2.gz NJIIRHZSQBPGND-KCWXYAFFSA-N 2 2 321.262 3.339 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652355820 435959317 /nfs/dbraw/zinc/95/93/17/435959317.db2.gz IXZUFGFJRGLGNA-YGRLFVJLSA-N 2 2 302.249 3.338 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652355820 435959320 /nfs/dbraw/zinc/95/93/20/435959320.db2.gz IXZUFGFJRGLGNA-YGRLFVJLSA-N 2 2 302.249 3.338 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652356184 435959447 /nfs/dbraw/zinc/95/94/47/435959447.db2.gz VQFPQCJFSRZDTH-UKRRQHHQSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652356184 435959450 /nfs/dbraw/zinc/95/94/50/435959450.db2.gz VQFPQCJFSRZDTH-UKRRQHHQSA-N 2 2 318.440 3.145 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355791 435959820 /nfs/dbraw/zinc/95/98/20/435959820.db2.gz HWZXUDAMOZNIJA-GUTXKFCHSA-N 2 2 311.495 3.190 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355791 435959823 /nfs/dbraw/zinc/95/98/23/435959823.db2.gz HWZXUDAMOZNIJA-GUTXKFCHSA-N 2 2 311.495 3.190 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355793 435960039 /nfs/dbraw/zinc/96/00/39/435960039.db2.gz HWZXUDAMOZNIJA-NFAWXSAZSA-N 2 2 311.495 3.190 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355793 435960044 /nfs/dbraw/zinc/96/00/44/435960044.db2.gz HWZXUDAMOZNIJA-NFAWXSAZSA-N 2 2 311.495 3.190 20 0 DGADLP CC[C@@H](C)[N@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109248 435967922 /nfs/dbraw/zinc/96/79/22/435967922.db2.gz QHWRCUGINIWUOV-HZPDHXFCSA-N 2 2 303.450 3.134 20 0 DGADLP CC[C@@H](C)[N@@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109248 435967931 /nfs/dbraw/zinc/96/79/31/435967931.db2.gz QHWRCUGINIWUOV-HZPDHXFCSA-N 2 2 303.450 3.134 20 0 DGADLP CC1(C)C[C@H]([N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CO1 ZINC000661198547 435993505 /nfs/dbraw/zinc/99/35/05/435993505.db2.gz LFIBTAVAENFVAW-SFHVURJKSA-N 2 2 313.445 3.343 20 0 DGADLP CC1(C)C[C@H]([N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CO1 ZINC000661198547 435993509 /nfs/dbraw/zinc/99/35/09/435993509.db2.gz LFIBTAVAENFVAW-SFHVURJKSA-N 2 2 313.445 3.343 20 0 DGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277474 435937148 /nfs/dbraw/zinc/93/71/48/435937148.db2.gz CBKYWZUXVKHSOI-LTCLLZNKSA-N 2 2 300.446 3.365 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000665276773 435937168 /nfs/dbraw/zinc/93/71/68/435937168.db2.gz MFPUZOQLMIEEOC-XVTSOASTSA-N 2 2 318.461 3.277 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283930 435940922 /nfs/dbraw/zinc/94/09/22/435940922.db2.gz XLPTVTCCWHXRFP-STQMWFEESA-N 2 2 302.340 3.177 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000665296508 435941936 /nfs/dbraw/zinc/94/19/36/435941936.db2.gz UAGXRAFBIKNWNV-NEPJUHHUSA-N 2 2 306.841 3.093 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000665296186 435942481 /nfs/dbraw/zinc/94/24/81/435942481.db2.gz OFULBKCYWZDXEU-HBNTYKKESA-N 2 2 305.249 3.347 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000665296893 435942634 /nfs/dbraw/zinc/94/26/34/435942634.db2.gz ZHXOZNXZDIDYKU-OFQRWUPVSA-N 2 2 324.440 3.032 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000665296336 435942673 /nfs/dbraw/zinc/94/26/73/435942673.db2.gz QYXWSAAZPCTLQE-LIRRHRJNSA-N 2 2 316.420 3.316 20 0 DGADLP COc1cccc(C[N@H+](CCc2c[nH+]cn2C)CC(C)C)c1 ZINC000656425256 435944942 /nfs/dbraw/zinc/94/49/42/435944942.db2.gz ACODXDAZUHNRGS-UHFFFAOYSA-N 2 2 301.434 3.129 20 0 DGADLP COc1cccc(C[N@@H+](CCc2c[nH+]cn2C)CC(C)C)c1 ZINC000656425256 435944948 /nfs/dbraw/zinc/94/49/48/435944948.db2.gz ACODXDAZUHNRGS-UHFFFAOYSA-N 2 2 301.434 3.129 20 0 DGADLP Cc1[nH+]c2ccccc2c(C)c1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647156653 435954701 /nfs/dbraw/zinc/95/47/01/435954701.db2.gz KFLBWSQYMQVBDK-MRXNPFEDSA-N 2 2 308.385 3.250 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccncc1 ZINC000647290985 436003627 /nfs/dbraw/zinc/00/36/27/436003627.db2.gz AQDGGMDWLDONFO-IAGOWNOFSA-N 2 2 307.507 3.196 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693628 436013765 /nfs/dbraw/zinc/01/37/65/436013765.db2.gz BYOCCMWEOMFDOA-GDBMZVCRSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693628 436013769 /nfs/dbraw/zinc/01/37/69/436013769.db2.gz BYOCCMWEOMFDOA-GDBMZVCRSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693628 436013772 /nfs/dbraw/zinc/01/37/72/436013772.db2.gz BYOCCMWEOMFDOA-GDBMZVCRSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693628 436013774 /nfs/dbraw/zinc/01/37/74/436013774.db2.gz BYOCCMWEOMFDOA-GDBMZVCRSA-N 2 2 304.434 3.127 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c(cccc3C)[nH+]1)CC2 ZINC000647364868 436031257 /nfs/dbraw/zinc/03/12/57/436031257.db2.gz PNKTVRQCLJVDSU-IBGZPJMESA-N 2 2 321.424 3.471 20 0 DGADLP Cn1cc(C[N@H+](C)CC(C)(C)[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000656783005 436042831 /nfs/dbraw/zinc/04/28/31/436042831.db2.gz LNNRZSKTJBSZDL-UHFFFAOYSA-N 2 2 312.417 3.002 20 0 DGADLP Cn1cc(C[N@@H+](C)CC(C)(C)[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000656783005 436042835 /nfs/dbraw/zinc/04/28/35/436042835.db2.gz LNNRZSKTJBSZDL-UHFFFAOYSA-N 2 2 312.417 3.002 20 0 DGADLP C[C@@]1(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]C1 ZINC000656788071 436047343 /nfs/dbraw/zinc/04/73/43/436047343.db2.gz AAHBJIJPXYLFSY-GOSISDBHSA-N 2 2 313.470 3.168 20 0 DGADLP C[C@@]1(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]C1 ZINC000656788071 436047349 /nfs/dbraw/zinc/04/73/49/436047349.db2.gz AAHBJIJPXYLFSY-GOSISDBHSA-N 2 2 313.470 3.168 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1F ZINC000656789338 436047553 /nfs/dbraw/zinc/04/75/53/436047553.db2.gz VZNXPEHQMPOBTF-SJLPKXTDSA-N 2 2 314.404 3.070 20 0 DGADLP CCOc1cccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647262634 435995581 /nfs/dbraw/zinc/99/55/81/435995581.db2.gz HRJCCQYRVOTFJM-UHFFFAOYSA-N 2 2 309.413 3.374 20 0 DGADLP COC1(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)CCCCC1 ZINC000647262698 435996144 /nfs/dbraw/zinc/99/61/44/435996144.db2.gz KYMVXEQOEFLJKH-UHFFFAOYSA-N 2 2 301.434 3.124 20 0 DGADLP c1[nH+]c2ccccn2c1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000647493776 436065749 /nfs/dbraw/zinc/06/57/49/436065749.db2.gz LQRGWWWZMYEEDO-GOSISDBHSA-N 2 2 320.440 3.089 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647542464 436077672 /nfs/dbraw/zinc/07/76/72/436077672.db2.gz RADXJBLTZWUHCI-ZWNOBZJWSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647542464 436077677 /nfs/dbraw/zinc/07/76/77/436077677.db2.gz RADXJBLTZWUHCI-ZWNOBZJWSA-N 2 2 316.779 3.125 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661465750 436078122 /nfs/dbraw/zinc/07/81/22/436078122.db2.gz GOZZHCJKMGGZQJ-MRXNPFEDSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661465750 436078127 /nfs/dbraw/zinc/07/81/27/436078127.db2.gz GOZZHCJKMGGZQJ-MRXNPFEDSA-N 2 2 311.429 3.324 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647542462 436079081 /nfs/dbraw/zinc/07/90/81/436079081.db2.gz RADXJBLTZWUHCI-GXFFZTMASA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647542462 436079086 /nfs/dbraw/zinc/07/90/86/436079086.db2.gz RADXJBLTZWUHCI-GXFFZTMASA-N 2 2 316.779 3.125 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000647549431 436081270 /nfs/dbraw/zinc/08/12/70/436081270.db2.gz ZKKWXSJEOFIFDP-UWJYYQICSA-N 2 2 324.468 3.491 20 0 DGADLP Clc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)c1)OCC2 ZINC000647553520 436082501 /nfs/dbraw/zinc/08/25/01/436082501.db2.gz BVOLZQVKGKDKKE-OAHLLOKOSA-N 2 2 306.837 3.039 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1nc2ccccc2[nH]1 ZINC000657308926 436128721 /nfs/dbraw/zinc/12/87/21/436128721.db2.gz YTRZNDWJQLREJR-QGZVFWFLSA-N 2 2 309.417 3.193 20 0 DGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000657317968 436134955 /nfs/dbraw/zinc/13/49/55/436134955.db2.gz GPGLDPBCCYFQSW-GUYCJALGSA-N 2 2 308.385 3.274 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CO1 ZINC000657338703 436145372 /nfs/dbraw/zinc/14/53/72/436145372.db2.gz SIYFPTJPDJZBAJ-IPMKNSEASA-N 2 2 302.462 3.289 20 0 DGADLP CO[C@](C)(C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000647911733 436148384 /nfs/dbraw/zinc/14/83/84/436148384.db2.gz ILJIRIROPZHMLO-HNAYVOBHSA-N 2 2 317.477 3.012 20 0 DGADLP Cc1[nH+]cc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)n1C ZINC000657345392 436148742 /nfs/dbraw/zinc/14/87/42/436148742.db2.gz OQRSGEZSPGBLNG-IBGZPJMESA-N 2 2 312.461 3.045 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000647924314 436149418 /nfs/dbraw/zinc/14/94/18/436149418.db2.gz XKDKMVDOGMVNTQ-UHFFFAOYSA-N 2 2 323.412 3.402 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657348184 436152232 /nfs/dbraw/zinc/15/22/32/436152232.db2.gz NDWMSYJGGDZFTI-GFCCVEGCSA-N 2 2 300.368 3.314 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657348184 436152237 /nfs/dbraw/zinc/15/22/37/436152237.db2.gz NDWMSYJGGDZFTI-GFCCVEGCSA-N 2 2 300.368 3.314 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647927083 436152848 /nfs/dbraw/zinc/15/28/48/436152848.db2.gz YJMWSHODPWZNDA-HNNXBMFYSA-N 2 2 317.477 3.259 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647965555 436160500 /nfs/dbraw/zinc/16/05/00/436160500.db2.gz AEQPCHVJGYZXII-UAGQMJEPSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965555 436160505 /nfs/dbraw/zinc/16/05/05/436160505.db2.gz AEQPCHVJGYZXII-UAGQMJEPSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647965555 436160512 /nfs/dbraw/zinc/16/05/12/436160512.db2.gz AEQPCHVJGYZXII-UAGQMJEPSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647965555 436160519 /nfs/dbraw/zinc/16/05/19/436160519.db2.gz AEQPCHVJGYZXII-UAGQMJEPSA-N 2 2 308.466 3.062 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000647970251 436165934 /nfs/dbraw/zinc/16/59/34/436165934.db2.gz IOJBHKQFOFRELG-VXGBXAGGSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000647970251 436165941 /nfs/dbraw/zinc/16/59/41/436165941.db2.gz IOJBHKQFOFRELG-VXGBXAGGSA-N 2 2 319.276 3.345 20 0 DGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1cccc(Cl)c1 ZINC000657376437 436166374 /nfs/dbraw/zinc/16/63/74/436166374.db2.gz GLRJDNLNTZIHRZ-LBPRGKRZSA-N 2 2 305.809 3.040 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000647970249 436163930 /nfs/dbraw/zinc/16/39/30/436163930.db2.gz IOJBHKQFOFRELG-NWDGAFQWSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000647970249 436163938 /nfs/dbraw/zinc/16/39/38/436163938.db2.gz IOJBHKQFOFRELG-NWDGAFQWSA-N 2 2 319.276 3.345 20 0 DGADLP CCCn1nccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000657380054 436168280 /nfs/dbraw/zinc/16/82/80/436168280.db2.gz GBNIAMATDPGAJX-SFHVURJKSA-N 2 2 323.444 3.100 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)s1 ZINC000647991262 436171440 /nfs/dbraw/zinc/17/14/40/436171440.db2.gz RVJLSBKNDVURLO-QWRGUYRKSA-N 2 2 315.280 3.257 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)s1 ZINC000647991262 436171444 /nfs/dbraw/zinc/17/14/44/436171444.db2.gz RVJLSBKNDVURLO-QWRGUYRKSA-N 2 2 315.280 3.257 20 0 DGADLP Clc1cccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccn2)c1 ZINC000647991915 436172147 /nfs/dbraw/zinc/17/21/47/436172147.db2.gz FQLFKLKVTBVOAB-DYVFJYSZSA-N 2 2 301.821 3.024 20 0 DGADLP Cc1[nH]c(CNC[C@H](c2ccc(Cl)cc2)[NH+](C)C)[nH+]c1C ZINC000657381730 436167609 /nfs/dbraw/zinc/16/76/09/436167609.db2.gz CAEONSBWXJIKOG-OAHLLOKOSA-N 2 2 306.841 3.072 20 0 DGADLP c1ccc2c(CC[NH+]3CCC([NH+]4CCCCC4)CC3)noc2c1 ZINC000653498154 436182667 /nfs/dbraw/zinc/18/26/67/436182667.db2.gz JWBQRUKDWQFRST-UHFFFAOYSA-N 2 2 313.445 3.321 20 0 DGADLP CC(C)n1cc[nH+]c1CNc1cccc(OCCC[NH+](C)C)c1 ZINC000657408284 436183322 /nfs/dbraw/zinc/18/33/22/436183322.db2.gz CXNDTZDAEZVJQL-UHFFFAOYSA-N 2 2 316.449 3.407 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000657523707 436234378 /nfs/dbraw/zinc/23/43/78/436234378.db2.gz HYRRJFKQNVNTHE-MRXNPFEDSA-N 2 2 301.409 3.336 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000657523707 436234384 /nfs/dbraw/zinc/23/43/84/436234384.db2.gz HYRRJFKQNVNTHE-MRXNPFEDSA-N 2 2 301.409 3.336 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1OC ZINC000657523462 436235045 /nfs/dbraw/zinc/23/50/45/436235045.db2.gz JHFZYEFTVCTISX-MRXNPFEDSA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1OC ZINC000657523462 436235046 /nfs/dbraw/zinc/23/50/46/436235046.db2.gz JHFZYEFTVCTISX-MRXNPFEDSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657527767 436235129 /nfs/dbraw/zinc/23/51/29/436235129.db2.gz YOICAUUHHNIMFT-LBPRGKRZSA-N 2 2 316.367 3.390 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657527767 436235130 /nfs/dbraw/zinc/23/51/30/436235130.db2.gz YOICAUUHHNIMFT-LBPRGKRZSA-N 2 2 316.367 3.390 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CCC2 ZINC000657415171 436188686 /nfs/dbraw/zinc/18/86/86/436188686.db2.gz APYQVTARUMTXMP-YJBOKZPZSA-N 2 2 311.429 3.087 20 0 DGADLP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2O1 ZINC000666304693 436197465 /nfs/dbraw/zinc/19/74/65/436197465.db2.gz FIUGPWRLKCOCOH-CYBMUJFWSA-N 2 2 321.327 3.042 20 0 DGADLP FC1(F)Oc2cccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2O1 ZINC000666304693 436197472 /nfs/dbraw/zinc/19/74/72/436197472.db2.gz FIUGPWRLKCOCOH-CYBMUJFWSA-N 2 2 321.327 3.042 20 0 DGADLP COC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)cc1 ZINC000657481281 436220912 /nfs/dbraw/zinc/22/09/12/436220912.db2.gz MNJVWWJSZZAYOK-CQSZACIVSA-N 2 2 319.836 3.003 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000666847716 436294077 /nfs/dbraw/zinc/29/40/77/436294077.db2.gz JQQOBUYRPSKINK-SNVBAGLBSA-N 2 2 304.768 3.173 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](c3ccccc3)[C@H](O)C(C)C)n2c1 ZINC000657744477 436294108 /nfs/dbraw/zinc/29/41/08/436294108.db2.gz FQHIEAXWMNBBBO-WOJBJXKFSA-N 2 2 323.440 3.491 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653903345 436294415 /nfs/dbraw/zinc/29/44/15/436294415.db2.gz GYPGZTJDDCPZGH-OAHLLOKOSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C[C@@H](C)O)C1CC1 ZINC000653903345 436294417 /nfs/dbraw/zinc/29/44/17/436294417.db2.gz GYPGZTJDDCPZGH-OAHLLOKOSA-N 2 2 315.461 3.360 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855347 436294996 /nfs/dbraw/zinc/29/49/96/436294996.db2.gz NQRQEWCOQREBPW-JTQLQIEISA-N 2 2 304.768 3.173 20 0 DGADLP CC(C)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000657750653 436295844 /nfs/dbraw/zinc/29/58/44/436295844.db2.gz KZHJMWYYDPGKLW-KANFNMMFSA-N 2 2 308.510 3.290 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657588186 436254540 /nfs/dbraw/zinc/25/45/40/436254540.db2.gz PCJNAORVPDMXQZ-PXNSSMCTSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657588186 436254543 /nfs/dbraw/zinc/25/45/43/436254543.db2.gz PCJNAORVPDMXQZ-PXNSSMCTSA-N 2 2 309.457 3.185 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000666617828 436254738 /nfs/dbraw/zinc/25/47/38/436254738.db2.gz NJAVVXIEUNEISJ-AWEZNQCLSA-N 2 2 301.434 3.395 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000666617828 436254741 /nfs/dbraw/zinc/25/47/41/436254741.db2.gz NJAVVXIEUNEISJ-AWEZNQCLSA-N 2 2 301.434 3.395 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662051809 436259645 /nfs/dbraw/zinc/25/96/45/436259645.db2.gz NVIQXJNJSGIAEO-BXUZGUMPSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662051809 436259646 /nfs/dbraw/zinc/25/96/46/436259646.db2.gz NVIQXJNJSGIAEO-BXUZGUMPSA-N 2 2 317.260 3.101 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1Oc1cccnc1 ZINC000666768783 436278033 /nfs/dbraw/zinc/27/80/33/436278033.db2.gz MQVHFGMEFOCRCW-KRWDZBQOSA-N 2 2 311.429 3.414 20 0 DGADLP FC(F)(F)Oc1cccc(C2([NH2+]CCn3cc[nH+]c3)CC2)c1 ZINC000653848265 436278542 /nfs/dbraw/zinc/27/85/42/436278542.db2.gz ZZMLCZYJSSTOKJ-UHFFFAOYSA-N 2 2 311.307 3.061 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976770 436348613 /nfs/dbraw/zinc/34/86/13/436348613.db2.gz FDDWTXKAYQQLSO-YOEHRIQHSA-N 2 2 308.416 3.184 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976770 436348617 /nfs/dbraw/zinc/34/86/17/436348617.db2.gz FDDWTXKAYQQLSO-YOEHRIQHSA-N 2 2 308.416 3.184 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)C[N@@H+]1C1CC1 ZINC000657770942 436301817 /nfs/dbraw/zinc/30/18/17/436301817.db2.gz VANFCOKEOFPSGO-OLZOCXBDSA-N 2 2 301.459 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)C[N@H+]1C1CC1 ZINC000657770942 436301819 /nfs/dbraw/zinc/30/18/19/436301819.db2.gz VANFCOKEOFPSGO-OLZOCXBDSA-N 2 2 301.459 3.054 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000666945294 436312258 /nfs/dbraw/zinc/31/22/58/436312258.db2.gz IXYWHZRXJWJTED-ROUUACIJSA-N 2 2 314.404 3.055 20 0 DGADLP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666946756 436313188 /nfs/dbraw/zinc/31/31/88/436313188.db2.gz PFBXEUGYNXUYQK-DKKFBQAASA-N 2 2 320.452 3.400 20 0 DGADLP C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662253357 436315107 /nfs/dbraw/zinc/31/51/07/436315107.db2.gz SYIWXZZVHYMPOL-NVXWUHKLSA-N 2 2 316.470 3.300 20 0 DGADLP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662253357 436315113 /nfs/dbraw/zinc/31/51/13/436315113.db2.gz SYIWXZZVHYMPOL-NVXWUHKLSA-N 2 2 316.470 3.300 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ncccc1C(F)(F)F ZINC000666972486 436318626 /nfs/dbraw/zinc/31/86/26/436318626.db2.gz PTQLXVSVTMUYOB-OAHLLOKOSA-N 2 2 323.362 3.452 20 0 DGADLP CCOC1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000657831380 436319690 /nfs/dbraw/zinc/31/96/90/436319690.db2.gz WTGCRCFQTVILQH-UHFFFAOYSA-N 2 2 313.445 3.369 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000662273912 436322575 /nfs/dbraw/zinc/32/25/75/436322575.db2.gz BGMKEJWMKXHPNO-ROUUACIJSA-N 2 2 320.502 3.394 20 0 DGADLP COc1cccc(SCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000662273912 436322577 /nfs/dbraw/zinc/32/25/77/436322577.db2.gz BGMKEJWMKXHPNO-ROUUACIJSA-N 2 2 320.502 3.394 20 0 DGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000662305007 436327051 /nfs/dbraw/zinc/32/70/51/436327051.db2.gz WEZOWGFPPLREJJ-UHFFFAOYSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000662305007 436327053 /nfs/dbraw/zinc/32/70/53/436327053.db2.gz WEZOWGFPPLREJJ-UHFFFAOYSA-N 2 2 308.425 3.189 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCn2nccc21)c1ccccc1 ZINC000657881372 436331333 /nfs/dbraw/zinc/33/13/33/436331333.db2.gz NJZAUFYRIQMRDX-WBVHZDCISA-N 2 2 312.461 3.437 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320470 436331380 /nfs/dbraw/zinc/33/13/80/436331380.db2.gz BTDXHQIPWLPQIF-PBHICJAKSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320470 436331383 /nfs/dbraw/zinc/33/13/83/436331383.db2.gz BTDXHQIPWLPQIF-PBHICJAKSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321346 436331518 /nfs/dbraw/zinc/33/15/18/436331518.db2.gz HLGLWBTTYIAPCG-KBPBESRZSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321346 436331522 /nfs/dbraw/zinc/33/15/22/436331522.db2.gz HLGLWBTTYIAPCG-KBPBESRZSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321355 436331780 /nfs/dbraw/zinc/33/17/80/436331780.db2.gz HLGLWBTTYIAPCG-ZIAGYGMSSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321355 436331784 /nfs/dbraw/zinc/33/17/84/436331784.db2.gz HLGLWBTTYIAPCG-ZIAGYGMSSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657882599 436332068 /nfs/dbraw/zinc/33/20/68/436332068.db2.gz TUNQZYRNCFQEKJ-DOTOQJQBSA-N 2 2 302.462 3.417 20 0 DGADLP Cn1c(CCC[NH2+][C@@H]2CCCSCC2)[nH+]c2ccccc21 ZINC000657919777 436340803 /nfs/dbraw/zinc/34/08/03/436340803.db2.gz QKLDULNIZUBBJN-CQSZACIVSA-N 2 2 303.475 3.381 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)[nH+]1 ZINC000654087743 436341508 /nfs/dbraw/zinc/34/15/08/436341508.db2.gz LTNVHZDAIIAPKO-CVEARBPZSA-N 2 2 316.449 3.145 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057174 436361773 /nfs/dbraw/zinc/36/17/73/436361773.db2.gz NTGCZOLCADUPJL-HOTGVXAUSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057174 436361775 /nfs/dbraw/zinc/36/17/75/436361775.db2.gz NTGCZOLCADUPJL-HOTGVXAUSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000658101982 436375556 /nfs/dbraw/zinc/37/55/56/436375556.db2.gz NZWJHUNGQPOUTD-IGCXYCKISA-N 2 2 322.416 3.129 20 0 DGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658167354 436393311 /nfs/dbraw/zinc/39/33/11/436393311.db2.gz SPNKOOVSCSOZKR-HNAYVOBHSA-N 2 2 307.441 3.368 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c2nccn21 ZINC000658195496 436398567 /nfs/dbraw/zinc/39/85/67/436398567.db2.gz VFLKFFXIRGJUSP-HYVNUMGLSA-N 2 2 321.428 3.196 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220450 436403667 /nfs/dbraw/zinc/40/36/67/436403667.db2.gz HFNDSFGFJOMLOX-LPHOPBHVSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220450 436403669 /nfs/dbraw/zinc/40/36/69/436403669.db2.gz HFNDSFGFJOMLOX-LPHOPBHVSA-N 2 2 301.478 3.462 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000658026108 436355672 /nfs/dbraw/zinc/35/56/72/436355672.db2.gz QOKVFYZDPGXLBF-ZWKOTPCHSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000658026108 436355675 /nfs/dbraw/zinc/35/56/75/436355675.db2.gz QOKVFYZDPGXLBF-ZWKOTPCHSA-N 2 2 324.896 3.098 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CCCO2 ZINC000658054739 436359502 /nfs/dbraw/zinc/35/95/02/436359502.db2.gz GJYXVBKRTVUKGV-RHSMWYFYSA-N 2 2 318.461 3.371 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054331 436359776 /nfs/dbraw/zinc/35/97/76/436359776.db2.gz DLLJYKZODWJTCV-ZWKOTPCHSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054331 436359779 /nfs/dbraw/zinc/35/97/79/436359779.db2.gz DLLJYKZODWJTCV-ZWKOTPCHSA-N 2 2 322.468 3.236 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccco1 ZINC000658326552 436431721 /nfs/dbraw/zinc/43/17/21/436431721.db2.gz HCOGKOJKXAMIEK-QFBILLFUSA-N 2 2 313.445 3.107 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccco1 ZINC000658326552 436431725 /nfs/dbraw/zinc/43/17/25/436431725.db2.gz HCOGKOJKXAMIEK-QFBILLFUSA-N 2 2 313.445 3.107 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1nccn1C ZINC000658335522 436432626 /nfs/dbraw/zinc/43/26/26/436432626.db2.gz ASZCNNSDNJTJOV-ZOBUZTSGSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCOC2(C)C)[NH+]2CCCC2)cc1 ZINC000340219664 301718295 /nfs/dbraw/zinc/71/82/95/301718295.db2.gz XWOBBLIVRZEECL-MSOLQXFVSA-N 2 2 302.462 3.289 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286261 436417117 /nfs/dbraw/zinc/41/71/17/436417117.db2.gz QUFRPULYZQUBNF-WMLDXEAASA-N 2 2 320.477 3.017 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286261 436417121 /nfs/dbraw/zinc/41/71/21/436417121.db2.gz QUFRPULYZQUBNF-WMLDXEAASA-N 2 2 320.477 3.017 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292703 436420806 /nfs/dbraw/zinc/42/08/06/436420806.db2.gz AAKIFAFMNFRPGJ-AYBZRNKSSA-N 2 2 314.473 3.386 20 0 DGADLP Cc1cccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000658296257 436421198 /nfs/dbraw/zinc/42/11/98/436421198.db2.gz YHESLZWEGXQDLW-FXAWDEMLSA-N 2 2 316.489 3.159 20 0 DGADLP Fc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1-c1cccs1 ZINC000663501672 436470634 /nfs/dbraw/zinc/47/06/34/436470634.db2.gz LBMHLLPWGWHLIV-UHFFFAOYSA-N 2 2 302.418 3.396 20 0 DGADLP CCCCOc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1OCC ZINC000663497740 436470902 /nfs/dbraw/zinc/47/09/02/436470902.db2.gz JRACJQFGSHHJGE-UHFFFAOYSA-N 2 2 318.461 3.106 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000663504320 436471957 /nfs/dbraw/zinc/47/19/57/436471957.db2.gz ZOTKGUZPLFSTQP-GFCCVEGCSA-N 2 2 321.209 3.190 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000663510085 436473382 /nfs/dbraw/zinc/47/33/82/436473382.db2.gz OYQUBFSVWNBLTR-INIZCTEOSA-N 2 2 320.440 3.237 20 0 DGADLP c1ccc(COCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000659844339 436540505 /nfs/dbraw/zinc/54/05/05/436540505.db2.gz BIIQLXMLDRZICH-UHFFFAOYSA-N 2 2 302.462 3.154 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000659946553 436565506 /nfs/dbraw/zinc/56/55/06/436565506.db2.gz HIUOOGKECDQNMB-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@H+](Cc1cccc(F)c1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000659946553 436565510 /nfs/dbraw/zinc/56/55/10/436565510.db2.gz HIUOOGKECDQNMB-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cccc(F)c1OC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000659946553 436565514 /nfs/dbraw/zinc/56/55/14/436565514.db2.gz HIUOOGKECDQNMB-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cccc(F)c1OC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000659946553 436565517 /nfs/dbraw/zinc/56/55/17/436565517.db2.gz HIUOOGKECDQNMB-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000659946552 436565800 /nfs/dbraw/zinc/56/58/00/436565800.db2.gz HIUOOGKECDQNMB-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@H+](Cc1cccc(F)c1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000659946552 436565805 /nfs/dbraw/zinc/56/58/05/436565805.db2.gz HIUOOGKECDQNMB-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cccc(F)c1OC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000659946552 436565810 /nfs/dbraw/zinc/56/58/10/436565810.db2.gz HIUOOGKECDQNMB-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cccc(F)c1OC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659946552 436565813 /nfs/dbraw/zinc/56/58/13/436565813.db2.gz HIUOOGKECDQNMB-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659977437 436571239 /nfs/dbraw/zinc/57/12/39/436571239.db2.gz ZFJHSCLMWDTNSY-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659977437 436571243 /nfs/dbraw/zinc/57/12/43/436571243.db2.gz ZFJHSCLMWDTNSY-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655678876 436572921 /nfs/dbraw/zinc/57/29/21/436572921.db2.gz LTTQPQRVVIKXLV-HIFRSBDPSA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000655693331 436575772 /nfs/dbraw/zinc/57/57/72/436575772.db2.gz XJGSTOVMSYYKDA-RBUKOAKNSA-N 2 2 302.462 3.289 20 0 DGADLP CCc1cc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364320 436590403 /nfs/dbraw/zinc/59/04/03/436590403.db2.gz PECWDJUKDZDPOA-LJQANCHMSA-N 2 2 324.472 3.101 20 0 DGADLP CCc1cc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364320 436590405 /nfs/dbraw/zinc/59/04/05/436590405.db2.gz PECWDJUKDZDPOA-LJQANCHMSA-N 2 2 324.472 3.101 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)co1 ZINC000660127494 436593382 /nfs/dbraw/zinc/59/33/82/436593382.db2.gz NUTHXRVTDRGOEC-INIZCTEOSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)co1 ZINC000660127494 436593383 /nfs/dbraw/zinc/59/33/83/436593383.db2.gz NUTHXRVTDRGOEC-INIZCTEOSA-N 2 2 310.401 3.306 20 0 DGADLP CO[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CCC1 ZINC000660246306 436613285 /nfs/dbraw/zinc/61/32/85/436613285.db2.gz ZTFKXLJFRYENAA-GOSISDBHSA-N 2 2 305.466 3.190 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250615 436613652 /nfs/dbraw/zinc/61/36/52/436613652.db2.gz IXKVDALSKSHCIG-RYUDHWBXSA-N 2 2 304.887 3.143 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250615 436613655 /nfs/dbraw/zinc/61/36/55/436613655.db2.gz IXKVDALSKSHCIG-RYUDHWBXSA-N 2 2 304.887 3.143 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250611 436614198 /nfs/dbraw/zinc/61/41/98/436614198.db2.gz IXKVDALSKSHCIG-NEPJUHHUSA-N 2 2 304.887 3.143 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250611 436614201 /nfs/dbraw/zinc/61/42/01/436614201.db2.gz IXKVDALSKSHCIG-NEPJUHHUSA-N 2 2 304.887 3.143 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660263708 436616152 /nfs/dbraw/zinc/61/61/52/436616152.db2.gz MAFLOVXRJKDWCB-GJZGRUSLSA-N 2 2 304.434 3.093 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660263708 436616155 /nfs/dbraw/zinc/61/61/55/436616155.db2.gz MAFLOVXRJKDWCB-GJZGRUSLSA-N 2 2 304.434 3.093 20 0 DGADLP Cc1nc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)co1 ZINC000660271111 436617258 /nfs/dbraw/zinc/61/72/58/436617258.db2.gz XIAQCHOHWKZNLP-GJZGRUSLSA-N 2 2 313.445 3.229 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000660303328 436621193 /nfs/dbraw/zinc/62/11/93/436621193.db2.gz RZDYWOOHTUDYBK-LBPRGKRZSA-N 2 2 316.848 3.005 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000660303328 436621196 /nfs/dbraw/zinc/62/11/96/436621196.db2.gz RZDYWOOHTUDYBK-LBPRGKRZSA-N 2 2 316.848 3.005 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCCC1 ZINC000292205969 302198516 /nfs/dbraw/zinc/19/85/16/302198516.db2.gz PTKVNKCHIGBGTG-UYAOXDASSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCCC1 ZINC000292205969 302198519 /nfs/dbraw/zinc/19/85/19/302198519.db2.gz PTKVNKCHIGBGTG-UYAOXDASSA-N 2 2 315.505 3.062 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000377291371 313036586 /nfs/dbraw/zinc/03/65/86/313036586.db2.gz KYNHJAGMBCXQBG-UHFFFAOYSA-N 2 2 308.470 3.104 20 0 DGADLP C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000528772194 313079792 /nfs/dbraw/zinc/07/97/92/313079792.db2.gz LBCMRWOTLKVGKB-HNNXBMFYSA-N 2 2 324.415 3.138 20 0 DGADLP C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000528772194 313079797 /nfs/dbraw/zinc/07/97/97/313079797.db2.gz LBCMRWOTLKVGKB-HNNXBMFYSA-N 2 2 324.415 3.138 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1C ZINC000529664537 313250073 /nfs/dbraw/zinc/25/00/73/313250073.db2.gz QIUBPWHMXIRIBD-LJQANCHMSA-N 2 2 311.429 3.088 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)n1C ZINC000529664537 313250076 /nfs/dbraw/zinc/25/00/76/313250076.db2.gz QIUBPWHMXIRIBD-LJQANCHMSA-N 2 2 311.429 3.088 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCc3nc(C4CC4)ncc3C2)c[nH+]1 ZINC000529664993 313250356 /nfs/dbraw/zinc/25/03/56/313250356.db2.gz HTYWHBKHWGUHTC-UHFFFAOYSA-N 2 2 308.429 3.048 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCc3nc(C4CC4)ncc3C2)c[nH+]1 ZINC000529664993 313250359 /nfs/dbraw/zinc/25/03/59/313250359.db2.gz HTYWHBKHWGUHTC-UHFFFAOYSA-N 2 2 308.429 3.048 20 0 DGADLP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c2ncccc12 ZINC000530179430 313334473 /nfs/dbraw/zinc/33/44/73/313334473.db2.gz VAPNMHVZRIZDJP-HNNXBMFYSA-N 2 2 301.821 3.262 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530178414 313334863 /nfs/dbraw/zinc/33/48/63/313334863.db2.gz LAXFXIGKZQUIQV-AWEZNQCLSA-N 2 2 309.251 3.132 20 0 DGADLP Cc1ccccc1C[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000534978323 313688490 /nfs/dbraw/zinc/68/84/90/313688490.db2.gz QCURIHCFDUBBDH-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP CC(C)c1cc(NCCCCn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000539291854 313906138 /nfs/dbraw/zinc/90/61/38/313906138.db2.gz IHEJVVXEVLHZMY-UHFFFAOYSA-N 2 2 301.438 3.234 20 0 DGADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000540595252 313967499 /nfs/dbraw/zinc/96/74/99/313967499.db2.gz XQXZVOXYDQMWLA-IAGOWNOFSA-N 2 2 315.461 3.306 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@H](CC(C)C)C3)c[nH+]c12 ZINC000540734394 313974101 /nfs/dbraw/zinc/97/41/01/313974101.db2.gz KTFCQIDFXJNOLD-NVXWUHKLSA-N 2 2 301.434 3.326 20 0 DGADLP Cc1nc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000542936516 314107369 /nfs/dbraw/zinc/10/73/69/314107369.db2.gz NHGBCYMRAKCFDH-IBGZPJMESA-N 2 2 322.456 3.157 20 0 DGADLP Cc1nc(N2CC[N@H+](C)C[C@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000542936516 314107373 /nfs/dbraw/zinc/10/73/73/314107373.db2.gz NHGBCYMRAKCFDH-IBGZPJMESA-N 2 2 322.456 3.157 20 0 DGADLP CCC(CC)(CC)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000542949707 314108227 /nfs/dbraw/zinc/10/82/27/314108227.db2.gz QQECWQJSMQQOSP-UHFFFAOYSA-N 2 2 320.525 3.496 20 0 DGADLP CCC(CC)(CC)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000542949707 314108230 /nfs/dbraw/zinc/10/82/30/314108230.db2.gz QQECWQJSMQQOSP-UHFFFAOYSA-N 2 2 320.525 3.496 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000545001866 314221025 /nfs/dbraw/zinc/22/10/25/314221025.db2.gz SGVHZNNSXSNUDJ-IYOUNJFTSA-N 2 2 320.452 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000545001866 314221029 /nfs/dbraw/zinc/22/10/29/314221029.db2.gz SGVHZNNSXSNUDJ-IYOUNJFTSA-N 2 2 320.452 3.085 20 0 DGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545204767 314232791 /nfs/dbraw/zinc/23/27/91/314232791.db2.gz WCAPHGOUAQVKHA-AEFFLSMTSA-N 2 2 324.509 3.353 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000545276698 314240437 /nfs/dbraw/zinc/24/04/37/314240437.db2.gz YDIHJSDNMDCUMN-JQHSSLGASA-N 2 2 301.478 3.348 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000545276698 314240439 /nfs/dbraw/zinc/24/04/39/314240439.db2.gz YDIHJSDNMDCUMN-JQHSSLGASA-N 2 2 301.478 3.348 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]C2CCOCC2)[NH+](CC)CC)cc1 ZINC000559871326 314893944 /nfs/dbraw/zinc/89/39/44/314893944.db2.gz LSSGSEDJKLRSPD-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP C[C@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000562960040 315065072 /nfs/dbraw/zinc/06/50/72/315065072.db2.gz JIIZAQKTSLNWLQ-JQWIXIFHSA-N 2 2 303.233 3.102 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)sc1Br ZINC000563350290 315105075 /nfs/dbraw/zinc/10/50/75/315105075.db2.gz MGRQQOONUJNALJ-VHSXEESVSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)sc1Br ZINC000563350290 315105077 /nfs/dbraw/zinc/10/50/77/315105077.db2.gz MGRQQOONUJNALJ-VHSXEESVSA-N 2 2 303.269 3.131 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429385 315114720 /nfs/dbraw/zinc/11/47/20/315114720.db2.gz XTIQOWJXRZSGRQ-KRWDZBQOSA-N 2 2 324.415 3.311 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429385 315114722 /nfs/dbraw/zinc/11/47/22/315114722.db2.gz XTIQOWJXRZSGRQ-KRWDZBQOSA-N 2 2 324.415 3.311 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000563780898 315137241 /nfs/dbraw/zinc/13/72/41/315137241.db2.gz QUXXMMKCNBFWPW-UHFFFAOYSA-N 2 2 306.784 3.325 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000563780898 315137242 /nfs/dbraw/zinc/13/72/42/315137242.db2.gz QUXXMMKCNBFWPW-UHFFFAOYSA-N 2 2 306.784 3.325 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000564318871 315168739 /nfs/dbraw/zinc/16/87/39/315168739.db2.gz KFQSMXKJVWVDDU-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000564318871 315168743 /nfs/dbraw/zinc/16/87/43/315168743.db2.gz KFQSMXKJVWVDDU-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000564701915 315192748 /nfs/dbraw/zinc/19/27/48/315192748.db2.gz LJJFXBLJOFFPSM-GJZGRUSLSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000564701915 315192751 /nfs/dbraw/zinc/19/27/51/315192751.db2.gz LJJFXBLJOFFPSM-GJZGRUSLSA-N 2 2 306.425 3.072 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000565159763 315235154 /nfs/dbraw/zinc/23/51/54/315235154.db2.gz AGRNMTIQWRHMCA-KRWDZBQOSA-N 2 2 305.372 3.063 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000565159763 315235158 /nfs/dbraw/zinc/23/51/58/315235158.db2.gz AGRNMTIQWRHMCA-KRWDZBQOSA-N 2 2 305.372 3.063 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230946 315245443 /nfs/dbraw/zinc/24/54/43/315245443.db2.gz XTBAZNINIFXFJR-NUJGCVRESA-N 2 2 318.461 3.090 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230946 315245447 /nfs/dbraw/zinc/24/54/47/315245447.db2.gz XTBAZNINIFXFJR-NUJGCVRESA-N 2 2 318.461 3.090 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237761 315245657 /nfs/dbraw/zinc/24/56/57/315245657.db2.gz KZJZCKOBIPNWRG-AEFFLSMTSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237761 315245659 /nfs/dbraw/zinc/24/56/59/315245659.db2.gz KZJZCKOBIPNWRG-AEFFLSMTSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237761 315245661 /nfs/dbraw/zinc/24/56/61/315245661.db2.gz KZJZCKOBIPNWRG-AEFFLSMTSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237761 315245663 /nfs/dbraw/zinc/24/56/63/315245663.db2.gz KZJZCKOBIPNWRG-AEFFLSMTSA-N 2 2 312.461 3.027 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000565894104 315295203 /nfs/dbraw/zinc/29/52/03/315295203.db2.gz DUVZFDNJYPCALN-VXGBXAGGSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000565894104 315295206 /nfs/dbraw/zinc/29/52/06/315295206.db2.gz DUVZFDNJYPCALN-VXGBXAGGSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000566111445 315313621 /nfs/dbraw/zinc/31/36/21/315313621.db2.gz GHUKHNIGUWRVHZ-OXQOHEQNSA-N 2 2 321.424 3.127 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230091 315324538 /nfs/dbraw/zinc/32/45/38/315324538.db2.gz GNEDOXGNGGOYOJ-JXFKEZNVSA-N 3 2 309.457 3.070 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230091 315324539 /nfs/dbraw/zinc/32/45/39/315324539.db2.gz GNEDOXGNGGOYOJ-JXFKEZNVSA-N 3 2 309.457 3.070 20 0 DGADLP Cc1[nH]c(CN[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[nH+]c1C ZINC000566497273 315353437 /nfs/dbraw/zinc/35/34/37/315353437.db2.gz VEFPJRUWIMKGFO-CRAIPNDOSA-N 2 2 300.450 3.116 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1C ZINC000566499572 315354234 /nfs/dbraw/zinc/35/42/34/315354234.db2.gz YNLFTPCAZMSIKH-UHFFFAOYSA-N 2 2 319.277 3.315 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000566659534 315365329 /nfs/dbraw/zinc/36/53/29/315365329.db2.gz BBOWRKQUXZYALR-UHFFFAOYSA-N 2 2 317.502 3.312 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000566659534 315365333 /nfs/dbraw/zinc/36/53/33/315365333.db2.gz BBOWRKQUXZYALR-UHFFFAOYSA-N 2 2 317.502 3.312 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000567147697 315399901 /nfs/dbraw/zinc/39/99/01/315399901.db2.gz XCKOKCMCDLGJCS-LBPRGKRZSA-N 2 2 307.800 3.245 20 0 DGADLP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)c2[nH+]ccn21 ZINC000567604324 315434721 /nfs/dbraw/zinc/43/47/21/315434721.db2.gz RAAOICZUGHRJQZ-FSPWUOQZSA-N 2 2 306.413 3.332 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)ccc1OC(C)C ZINC000568273148 315498816 /nfs/dbraw/zinc/49/88/16/315498816.db2.gz LDKJGIKXCCVVHM-CYBMUJFWSA-N 2 2 317.433 3.375 20 0 DGADLP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000568703583 315530357 /nfs/dbraw/zinc/53/03/57/315530357.db2.gz LPUDJLLHCPNVOJ-RDTXWAMCSA-N 2 2 308.429 3.099 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)ccn1 ZINC000571461379 315722828 /nfs/dbraw/zinc/72/28/28/315722828.db2.gz JGULMXKKCJJSSZ-AWEZNQCLSA-N 2 2 324.428 3.489 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)ccn1 ZINC000571461380 315722866 /nfs/dbraw/zinc/72/28/66/315722866.db2.gz JGULMXKKCJJSSZ-CQSZACIVSA-N 2 2 324.428 3.489 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(-n2cccn2)cc1 ZINC000573152113 315843744 /nfs/dbraw/zinc/84/37/44/315843744.db2.gz JUXJKJHRCHQPSJ-OAHLLOKOSA-N 2 2 321.428 3.256 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCOc2ccc3ccccc3c2)n1C ZINC000573936288 315916537 /nfs/dbraw/zinc/91/65/37/315916537.db2.gz YOSGXOPBBZOSMM-UHFFFAOYSA-N 2 2 309.413 3.440 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000575003283 316024058 /nfs/dbraw/zinc/02/40/58/316024058.db2.gz JJUOFFGWRMROGK-GFCCVEGCSA-N 2 2 320.234 3.441 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000575359787 316050153 /nfs/dbraw/zinc/05/01/53/316050153.db2.gz IGQKANFBDHNIFO-HKUYNNGSSA-N 2 2 310.445 3.045 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000575359787 316050157 /nfs/dbraw/zinc/05/01/57/316050157.db2.gz IGQKANFBDHNIFO-HKUYNNGSSA-N 2 2 310.445 3.045 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000575736539 316056883 /nfs/dbraw/zinc/05/68/83/316056883.db2.gz RNDPCNBQYQGKTN-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000575736539 316056889 /nfs/dbraw/zinc/05/68/89/316056889.db2.gz RNDPCNBQYQGKTN-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000575927566 316076440 /nfs/dbraw/zinc/07/64/40/316076440.db2.gz HFEHMTZUNABHHP-ZWKOTPCHSA-N 2 2 322.880 3.116 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000576237818 316109198 /nfs/dbraw/zinc/10/91/98/316109198.db2.gz KQXOPILPRYFSKD-UHFFFAOYSA-N 2 2 318.505 3.309 20 0 DGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)CCO1 ZINC000576430716 316128779 /nfs/dbraw/zinc/12/87/79/316128779.db2.gz MMEWXBXYGZJJHH-DOTOQJQBSA-N 2 2 311.385 3.176 20 0 DGADLP Cc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C)c[nH+]1 ZINC000576833951 316173329 /nfs/dbraw/zinc/17/33/29/316173329.db2.gz GXARIUCNHXSEEA-INIZCTEOSA-N 2 2 317.820 3.015 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)cc[nH+]1 ZINC000577882407 316281713 /nfs/dbraw/zinc/28/17/13/316281713.db2.gz XFIHPBCCTOCIEE-IAGOWNOFSA-N 2 2 302.418 3.027 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922746 323217169 /nfs/dbraw/zinc/21/71/69/323217169.db2.gz OIBPCDIENOXPHM-VYDXJSESSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922746 323217172 /nfs/dbraw/zinc/21/71/72/323217172.db2.gz OIBPCDIENOXPHM-VYDXJSESSA-N 2 2 302.466 3.213 20 0 DGADLP Clc1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179929826 323217780 /nfs/dbraw/zinc/21/77/80/323217780.db2.gz KUOQVJBXMPYWRA-IMLGJKEDSA-N 2 2 320.864 3.007 20 0 DGADLP Clc1ccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179929826 323217781 /nfs/dbraw/zinc/21/77/81/323217781.db2.gz KUOQVJBXMPYWRA-IMLGJKEDSA-N 2 2 320.864 3.007 20 0 DGADLP CC[NH+](CC)[C@@H](CNCc1cn2cc(C)ccc2[nH+]1)CC(C)C ZINC000578891109 323797348 /nfs/dbraw/zinc/79/73/48/323797348.db2.gz IMLNWYLDLOURCS-GOSISDBHSA-N 2 2 316.493 3.489 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]CC[C@@H]2CCOC2)c[nH+]1 ZINC000579041233 323815206 /nfs/dbraw/zinc/81/52/06/323815206.db2.gz IZPNJQCNLFCOHG-MNEFBYGVSA-N 2 2 311.429 3.128 20 0 DGADLP Cc1noc(C2CCC([NH2+]CC[N@@H+]3CCCC(C)(C)C3)CC2)n1 ZINC000580507532 324004380 /nfs/dbraw/zinc/00/43/80/324004380.db2.gz LSCYEIFNPKJGLI-UHFFFAOYSA-N 2 2 320.481 3.116 20 0 DGADLP Cc1noc(C2CCC([NH2+]CC[N@H+]3CCCC(C)(C)C3)CC2)n1 ZINC000580507532 324004384 /nfs/dbraw/zinc/00/43/84/324004384.db2.gz LSCYEIFNPKJGLI-UHFFFAOYSA-N 2 2 320.481 3.116 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000580551320 324010910 /nfs/dbraw/zinc/01/09/10/324010910.db2.gz JGVBJCBDGSNPHG-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000580551320 324010912 /nfs/dbraw/zinc/01/09/12/324010912.db2.gz JGVBJCBDGSNPHG-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000580897543 324051967 /nfs/dbraw/zinc/05/19/67/324051967.db2.gz BBXQFEFUJGCGJJ-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000580897543 324051970 /nfs/dbraw/zinc/05/19/70/324051970.db2.gz BBXQFEFUJGCGJJ-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCOC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000581085898 324073424 /nfs/dbraw/zinc/07/34/24/324073424.db2.gz YDDLYSGVAHJEOS-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000581085898 324073428 /nfs/dbraw/zinc/07/34/28/324073428.db2.gz YDDLYSGVAHJEOS-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000581217031 324089306 /nfs/dbraw/zinc/08/93/06/324089306.db2.gz BUNCXJXIBCCVRP-UHFFFAOYSA-N 2 2 311.429 3.461 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000581364034 324109764 /nfs/dbraw/zinc/10/97/64/324109764.db2.gz KMOMODYHJNVUBR-WDMOLILDSA-N 2 2 317.260 3.005 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)c[nH+]1 ZINC000581404166 324113984 /nfs/dbraw/zinc/11/39/84/324113984.db2.gz GFHGZVYRWXDLIH-UHFFFAOYSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@H](CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496494 324123764 /nfs/dbraw/zinc/12/37/64/324123764.db2.gz KCJFCJFRQWPTQW-SJLPKXTDSA-N 2 2 313.445 3.205 20 0 DGADLP C[C@H](CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496494 324123769 /nfs/dbraw/zinc/12/37/69/324123769.db2.gz KCJFCJFRQWPTQW-SJLPKXTDSA-N 2 2 313.445 3.205 20 0 DGADLP CC(C)COc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000582281748 324211385 /nfs/dbraw/zinc/21/13/85/324211385.db2.gz CZJLYMOJJXOPIG-UHFFFAOYSA-N 2 2 301.434 3.488 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3CC(C)(C)C3)c2cc1C ZINC000582482766 324235434 /nfs/dbraw/zinc/23/54/34/324235434.db2.gz UOODSVXTOZPZOR-MRXNPFEDSA-N 2 2 315.461 3.040 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000583019029 324303476 /nfs/dbraw/zinc/30/34/76/324303476.db2.gz YMWRNXBVXLUYKC-CVEARBPZSA-N 2 2 304.482 3.399 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000583745278 324392006 /nfs/dbraw/zinc/39/20/06/324392006.db2.gz LVXFPNRZMPEUSR-SFHVURJKSA-N 2 2 301.434 3.082 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758604 533845051 /nfs/dbraw/zinc/84/50/51/533845051.db2.gz PDYSKWKUDHSPOL-GDBMZVCRSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758604 533845058 /nfs/dbraw/zinc/84/50/58/533845058.db2.gz PDYSKWKUDHSPOL-GDBMZVCRSA-N 2 2 315.486 3.097 20 0 DGADLP COc1cccc2c(NCCc3cn4c([nH+]3)CCCC4)cc[nH+]c12 ZINC000302515915 533845245 /nfs/dbraw/zinc/84/52/45/533845245.db2.gz ADNKXYWTBHDMQO-UHFFFAOYSA-N 2 2 322.412 3.431 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)ccc1F ZINC000149328806 533876130 /nfs/dbraw/zinc/87/61/30/533876130.db2.gz VCYFNAMHQNQNJD-JTQLQIEISA-N 2 2 312.186 3.136 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)oc1C ZINC000432829030 533925181 /nfs/dbraw/zinc/92/51/81/533925181.db2.gz LSMFNAGYWPQBQB-UKRRQHHQSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)oc1C ZINC000432829030 533925191 /nfs/dbraw/zinc/92/51/91/533925191.db2.gz LSMFNAGYWPQBQB-UKRRQHHQSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)oc1C ZINC000432829030 533925196 /nfs/dbraw/zinc/92/51/96/533925196.db2.gz LSMFNAGYWPQBQB-UKRRQHHQSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)oc1C ZINC000432829030 533925201 /nfs/dbraw/zinc/92/52/01/533925201.db2.gz LSMFNAGYWPQBQB-UKRRQHHQSA-N 2 2 322.449 3.242 20 0 DGADLP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331875187 534134888 /nfs/dbraw/zinc/13/48/88/534134888.db2.gz FKUIGNGXJALSDB-NSHDSACASA-N 2 2 303.410 3.031 20 0 DGADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)cc1Br ZINC000415102255 534209034 /nfs/dbraw/zinc/20/90/34/534209034.db2.gz IMZWEUHHYUFVTL-GXFFZTMASA-N 2 2 315.230 3.208 20 0 DGADLP Brc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000157355437 518219647 /nfs/dbraw/zinc/21/96/47/518219647.db2.gz SQUDVECWBVTHSD-HNNXBMFYSA-N 2 2 323.278 3.367 20 0 DGADLP Brc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000157355437 518219652 /nfs/dbraw/zinc/21/96/52/518219652.db2.gz SQUDVECWBVTHSD-HNNXBMFYSA-N 2 2 323.278 3.367 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430947641 534363752 /nfs/dbraw/zinc/36/37/52/534363752.db2.gz BRBUAENOGIOKLY-GFCCVEGCSA-N 2 2 305.809 3.084 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430947641 534363760 /nfs/dbraw/zinc/36/37/60/534363760.db2.gz BRBUAENOGIOKLY-GFCCVEGCSA-N 2 2 305.809 3.084 20 0 DGADLP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000292754955 534426224 /nfs/dbraw/zinc/42/62/24/534426224.db2.gz IJPOMDPVRISXCY-OAHLLOKOSA-N 2 2 311.385 3.069 20 0 DGADLP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000292819944 534488671 /nfs/dbraw/zinc/48/86/71/534488671.db2.gz AWRCDXYZMFEMSF-QFBILLFUSA-N 2 2 320.452 3.369 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](CNc1cc(C)[nH+]c3ccccc13)CCC2 ZINC000443884153 534511596 /nfs/dbraw/zinc/51/15/96/534511596.db2.gz MYJWGXSOSNJKRZ-HNNXBMFYSA-N 2 2 306.413 3.460 20 0 DGADLP c1csc(C[N@H+](Cc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435433174 534520725 /nfs/dbraw/zinc/52/07/25/534520725.db2.gz QPTATWXVTYTRCK-INIZCTEOSA-N 2 2 313.470 3.287 20 0 DGADLP c1csc(C[N@@H+](Cc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435433174 534520735 /nfs/dbraw/zinc/52/07/35/534520735.db2.gz QPTATWXVTYTRCK-INIZCTEOSA-N 2 2 313.470 3.287 20 0 DGADLP Fc1cccc(Cl)c1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430551773 534521215 /nfs/dbraw/zinc/52/12/15/534521215.db2.gz IOVVLIWDMKKFFQ-UHFFFAOYSA-N 2 2 310.844 3.486 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430573674 534526769 /nfs/dbraw/zinc/52/67/69/534526769.db2.gz HHXKSZQEUONTQF-MRXNPFEDSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430573674 534526773 /nfs/dbraw/zinc/52/67/73/534526773.db2.gz HHXKSZQEUONTQF-MRXNPFEDSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604844 534643866 /nfs/dbraw/zinc/64/38/66/534643866.db2.gz OMFYXRMXNNOKAE-JKSUJKDBSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604844 534643871 /nfs/dbraw/zinc/64/38/71/534643871.db2.gz OMFYXRMXNNOKAE-JKSUJKDBSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604842 534643050 /nfs/dbraw/zinc/64/30/50/534643050.db2.gz OMFYXRMXNNOKAE-HOTGVXAUSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604842 534643052 /nfs/dbraw/zinc/64/30/52/534643052.db2.gz OMFYXRMXNNOKAE-HOTGVXAUSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294682557 534685154 /nfs/dbraw/zinc/68/51/54/534685154.db2.gz FFFPPSKTLVGBHG-INIZCTEOSA-N 2 2 313.445 3.426 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295849721 534691408 /nfs/dbraw/zinc/69/14/08/534691408.db2.gz BYSIDNZRJYFBIT-UHFFFAOYSA-N 2 2 323.440 3.362 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000420355907 526697182 /nfs/dbraw/zinc/69/71/82/526697182.db2.gz FNQIMZYNUKXGFS-AWEZNQCLSA-N 2 2 307.825 3.458 20 0 DGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000157419405 526947716 /nfs/dbraw/zinc/94/77/16/526947716.db2.gz MQILPYDVJVQAAF-CYBMUJFWSA-N 2 2 301.821 3.215 20 0 DGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000157419405 526947725 /nfs/dbraw/zinc/94/77/25/526947725.db2.gz MQILPYDVJVQAAF-CYBMUJFWSA-N 2 2 301.821 3.215 20 0 DGADLP CC(C)(CO)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000294800655 527202304 /nfs/dbraw/zinc/20/23/04/527202304.db2.gz MVKSQYFSCYWLNP-UHFFFAOYSA-N 2 2 324.896 3.303 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000428090261 527883010 /nfs/dbraw/zinc/88/30/10/527883010.db2.gz JCEZXJFAUCIUFR-JLAWEPINSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000428090261 527883015 /nfs/dbraw/zinc/88/30/15/527883015.db2.gz JCEZXJFAUCIUFR-JLAWEPINSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000309905239 527883583 /nfs/dbraw/zinc/88/35/83/527883583.db2.gz QEFISNYHAPZJES-BHIYHBOVSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000309905239 527883586 /nfs/dbraw/zinc/88/35/86/527883586.db2.gz QEFISNYHAPZJES-BHIYHBOVSA-N 2 2 304.478 3.300 20 0 DGADLP CCC[N@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000430962105 528149588 /nfs/dbraw/zinc/14/95/88/528149588.db2.gz PLWVFFMFDRHSRI-QGZVFWFLSA-N 2 2 311.429 3.448 20 0 DGADLP CCC[N@@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CC[NH2+]C1 ZINC000430962105 528149589 /nfs/dbraw/zinc/14/95/89/528149589.db2.gz PLWVFFMFDRHSRI-QGZVFWFLSA-N 2 2 311.429 3.448 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000432787926 528181628 /nfs/dbraw/zinc/18/16/28/528181628.db2.gz IUIKXPCFQJRBFE-HUUCEWRRSA-N 2 2 321.513 3.092 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079107 528264780 /nfs/dbraw/zinc/26/47/80/528264780.db2.gz AWWMQTHUHBVZRS-KBPBESRZSA-N 2 2 304.482 3.214 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079107 528264786 /nfs/dbraw/zinc/26/47/86/528264786.db2.gz AWWMQTHUHBVZRS-KBPBESRZSA-N 2 2 304.482 3.214 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423239784 528335162 /nfs/dbraw/zinc/33/51/62/528335162.db2.gz SMECHSPGSUWTAT-AWEZNQCLSA-N 2 2 302.340 3.235 20 0 DGADLP CC[NH2+]Cc1cccc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000414868037 528348785 /nfs/dbraw/zinc/34/87/85/528348785.db2.gz OLNBTQRYLVEBHM-UHFFFAOYSA-N 2 2 310.445 3.403 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423377160 528421701 /nfs/dbraw/zinc/42/17/01/528421701.db2.gz JYHLICMBBZJZRF-HUUCEWRRSA-N 2 2 320.481 3.209 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422865722 528444941 /nfs/dbraw/zinc/44/49/41/528444941.db2.gz PLRJXIONJJIPAP-GJZGRUSLSA-N 2 2 316.474 3.244 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000430590692 528508725 /nfs/dbraw/zinc/50/87/25/528508725.db2.gz LSWSGFJAYYDJSJ-HIFRSBDPSA-N 2 2 302.422 3.103 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000430590692 528508734 /nfs/dbraw/zinc/50/87/34/528508734.db2.gz LSWSGFJAYYDJSJ-HIFRSBDPSA-N 2 2 302.422 3.103 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292683947 528624600 /nfs/dbraw/zinc/62/46/00/528624600.db2.gz AVWHSHIZYROMKU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292683947 528624606 /nfs/dbraw/zinc/62/46/06/528624606.db2.gz AVWHSHIZYROMKU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000292683947 528624610 /nfs/dbraw/zinc/62/46/10/528624610.db2.gz AVWHSHIZYROMKU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000292683947 528624616 /nfs/dbraw/zinc/62/46/16/528624616.db2.gz AVWHSHIZYROMKU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000430561504 528860432 /nfs/dbraw/zinc/86/04/32/528860432.db2.gz MDNSIQALHAWJMO-MRXNPFEDSA-N 2 2 309.360 3.083 20 0 DGADLP CCC[C@@H](CC)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415123843 528923241 /nfs/dbraw/zinc/92/32/41/528923241.db2.gz BIVZNWLITNEEER-GOSISDBHSA-N 3 2 303.494 3.148 20 0 DGADLP CC1(C)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420899934 529010721 /nfs/dbraw/zinc/01/07/21/529010721.db2.gz GYPGMEUFMQBEMW-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2[nH+]1 ZINC000435073535 529046278 /nfs/dbraw/zinc/04/62/78/529046278.db2.gz NIQLRUTZUKXSJV-SFHVURJKSA-N 2 2 314.433 3.234 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000430597427 529046636 /nfs/dbraw/zinc/04/66/36/529046636.db2.gz LWVVPOOVPLCUQE-GFCCVEGCSA-N 2 2 310.392 3.237 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000430597427 529046641 /nfs/dbraw/zinc/04/66/41/529046641.db2.gz LWVVPOOVPLCUQE-GFCCVEGCSA-N 2 2 310.392 3.237 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428867108 529085967 /nfs/dbraw/zinc/08/59/67/529085967.db2.gz IYVHKCNAMXRWIG-GFCCVEGCSA-N 2 2 307.438 3.257 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428867108 529085971 /nfs/dbraw/zinc/08/59/71/529085971.db2.gz IYVHKCNAMXRWIG-GFCCVEGCSA-N 2 2 307.438 3.257 20 0 DGADLP CC(C)(C[NH2+]Cc1cncc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000494550429 535149296 /nfs/dbraw/zinc/14/92/96/535149296.db2.gz VOOGZBRXONFYTG-UHFFFAOYSA-N 2 2 313.420 3.147 20 0 DGADLP CC(C)(C[NH2+]Cc1cncc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000494550429 535149299 /nfs/dbraw/zinc/14/92/99/535149299.db2.gz VOOGZBRXONFYTG-UHFFFAOYSA-N 2 2 313.420 3.147 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471798455 535215492 /nfs/dbraw/zinc/21/54/92/535215492.db2.gz KJOVYPXUHKLVMV-SJLPKXTDSA-N 2 2 304.478 3.180 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471798455 535215495 /nfs/dbraw/zinc/21/54/95/535215495.db2.gz KJOVYPXUHKLVMV-SJLPKXTDSA-N 2 2 304.478 3.180 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107529 535525864 /nfs/dbraw/zinc/52/58/64/535525864.db2.gz QEOJEBSYQUHWMI-SMDDNHRTSA-N 2 2 312.379 3.413 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107529 535525870 /nfs/dbraw/zinc/52/58/70/535525870.db2.gz QEOJEBSYQUHWMI-SMDDNHRTSA-N 2 2 312.379 3.413 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000450751818 535579253 /nfs/dbraw/zinc/57/92/53/535579253.db2.gz FFRYVQAZXQDBPI-GJZGRUSLSA-N 2 2 322.522 3.406 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2F)[C@@H]1c1cccs1 ZINC000449160009 536364431 /nfs/dbraw/zinc/36/44/31/536364431.db2.gz KFTTZFMLYXVGGL-WMLDXEAASA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2F)[C@@H]1c1cccs1 ZINC000449160009 536364434 /nfs/dbraw/zinc/36/44/34/536364434.db2.gz KFTTZFMLYXVGGL-WMLDXEAASA-N 2 2 319.449 3.455 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000233456485 546277606 /nfs/dbraw/zinc/27/76/06/546277606.db2.gz KJDRCRCALNTVIM-ZDUSSCGKSA-N 2 2 313.283 3.312 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000090167776 545823296 /nfs/dbraw/zinc/82/32/96/545823296.db2.gz ZYWIPZZVTXVWMS-IBGZPJMESA-N 2 2 309.457 3.267 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000090167776 545823299 /nfs/dbraw/zinc/82/32/99/545823299.db2.gz ZYWIPZZVTXVWMS-IBGZPJMESA-N 2 2 309.457 3.267 20 0 DGADLP CC(C)(CO)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187308 545825336 /nfs/dbraw/zinc/82/53/36/545825336.db2.gz FMGLODIZIQABDO-GOSISDBHSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(CO)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187308 545825344 /nfs/dbraw/zinc/82/53/44/545825344.db2.gz FMGLODIZIQABDO-GOSISDBHSA-N 2 2 318.505 3.428 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000092720225 545849037 /nfs/dbraw/zinc/84/90/37/545849037.db2.gz NQWJGNLJFRXWOF-HNNXBMFYSA-N 2 2 320.234 3.313 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000121520170 545897497 /nfs/dbraw/zinc/89/74/97/545897497.db2.gz BPECVMJNQIVFPV-INIZCTEOSA-N 2 2 303.356 3.439 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000123796690 545908470 /nfs/dbraw/zinc/90/84/70/545908470.db2.gz LKOCWKXYZGPERM-OAHLLOKOSA-N 2 2 301.409 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000123796690 545908475 /nfs/dbraw/zinc/90/84/75/545908475.db2.gz LKOCWKXYZGPERM-OAHLLOKOSA-N 2 2 301.409 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000150911306 545990179 /nfs/dbraw/zinc/99/01/79/545990179.db2.gz NCKFFJFVQWHBMX-DOTOQJQBSA-N 3 2 321.534 3.205 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000157094046 546038264 /nfs/dbraw/zinc/03/82/64/546038264.db2.gz UZITZDYGYWREPU-ZFWWWQNUSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000157094046 546038268 /nfs/dbraw/zinc/03/82/68/546038268.db2.gz UZITZDYGYWREPU-ZFWWWQNUSA-N 2 2 311.267 3.317 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH+]c2ccccn12 ZINC000162051171 546075809 /nfs/dbraw/zinc/07/58/09/546075809.db2.gz OUWNNSMENQYRJF-UHFFFAOYSA-N 2 2 309.348 3.455 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163767734 546085156 /nfs/dbraw/zinc/08/51/56/546085156.db2.gz ASBYYGQYGNVDAP-RISCZKNCSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163767734 546085160 /nfs/dbraw/zinc/08/51/60/546085160.db2.gz ASBYYGQYGNVDAP-RISCZKNCSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000179134427 546134132 /nfs/dbraw/zinc/13/41/32/546134132.db2.gz FYJIOCBMZRWNCR-ZDUSSCGKSA-N 2 2 316.474 3.162 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)[NH+](C)C)cc1 ZINC000179960247 546139746 /nfs/dbraw/zinc/13/97/46/546139746.db2.gz KUIOHGHGQMEPKD-FZKQIMNGSA-N 2 2 300.450 3.234 20 0 DGADLP CC(C)(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180031736 546141812 /nfs/dbraw/zinc/14/18/12/546141812.db2.gz HDZNWQWHQADWBW-SFHVURJKSA-N 2 2 316.489 3.008 20 0 DGADLP CC(C)(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180031736 546141814 /nfs/dbraw/zinc/14/18/14/546141814.db2.gz HDZNWQWHQADWBW-SFHVURJKSA-N 2 2 316.489 3.008 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3)CC2)c1 ZINC000237723917 546287406 /nfs/dbraw/zinc/28/74/06/546287406.db2.gz SDKVEPHHOKDCOL-UHFFFAOYSA-N 2 2 323.484 3.297 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251683780 546329774 /nfs/dbraw/zinc/32/97/74/546329774.db2.gz IBERGZXKEZDOOR-IINYFYTJSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251683780 546329776 /nfs/dbraw/zinc/32/97/76/546329776.db2.gz IBERGZXKEZDOOR-IINYFYTJSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@H]1[NH3+] ZINC000251775734 546329868 /nfs/dbraw/zinc/32/98/68/546329868.db2.gz MSWPKJJJAQWLHO-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1[NH3+] ZINC000251775734 546329870 /nfs/dbraw/zinc/32/98/70/546329870.db2.gz MSWPKJJJAQWLHO-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000285473180 546397005 /nfs/dbraw/zinc/39/70/05/546397005.db2.gz NXDCIAMQBYOVRN-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ncc[nH]1 ZINC000285943735 546399754 /nfs/dbraw/zinc/39/97/54/546399754.db2.gz FVAMPJZYDSKFCY-UIBIWLFHSA-N 2 2 312.461 3.217 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ncc[nH]1 ZINC000285943735 546399758 /nfs/dbraw/zinc/39/97/58/546399758.db2.gz FVAMPJZYDSKFCY-UIBIWLFHSA-N 2 2 312.461 3.217 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220110 546402108 /nfs/dbraw/zinc/40/21/08/546402108.db2.gz SJYBRMXWRWLJOW-UONOGXRCSA-N 2 2 304.463 3.034 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220110 546402113 /nfs/dbraw/zinc/40/21/13/546402113.db2.gz SJYBRMXWRWLJOW-UONOGXRCSA-N 2 2 304.463 3.034 20 0 DGADLP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000321190557 546470038 /nfs/dbraw/zinc/47/00/38/546470038.db2.gz UTNUQSVFSFCYRS-INIZCTEOSA-N 3 2 312.461 3.255 20 0 DGADLP CCc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)nc(C)[nH+]1 ZINC000340769423 546547479 /nfs/dbraw/zinc/54/74/79/546547479.db2.gz CDVGDAJCHHFVJH-UHFFFAOYSA-N 2 2 313.449 3.241 20 0 DGADLP CCc1cc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)nc(C)[nH+]1 ZINC000359712114 546711821 /nfs/dbraw/zinc/71/18/21/546711821.db2.gz CAPWZNXBWPQQCM-CPUCHLNUSA-N 2 2 302.466 3.189 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000391406468 546758426 /nfs/dbraw/zinc/75/84/26/546758426.db2.gz WPLRUIHNYYXZNG-OAHLLOKOSA-N 2 2 307.397 3.215 20 0 DGADLP Cc1ccc(SC[C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419683801 546804152 /nfs/dbraw/zinc/80/41/52/546804152.db2.gz KXCPKFSJZUYLNX-CQSZACIVSA-N 2 2 318.490 3.065 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453339046 546859950 /nfs/dbraw/zinc/85/99/50/546859950.db2.gz GEGPPSWXROHHND-SZMVWBNQSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453339046 546859951 /nfs/dbraw/zinc/85/99/51/546859951.db2.gz GEGPPSWXROHHND-SZMVWBNQSA-N 2 2 312.461 3.389 20 0 DGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000459660881 546893725 /nfs/dbraw/zinc/89/37/25/546893725.db2.gz LUPQZUGDOOEQES-PNESKVBLSA-N 2 2 303.372 3.309 20 0 DGADLP c1cn(-c2cccc(C[NH2+]Cc3scnc3C3CC3)c2)c[nH+]1 ZINC000487278150 546917855 /nfs/dbraw/zinc/91/78/55/546917855.db2.gz LOHBJTPUWOGWQJ-UHFFFAOYSA-N 2 2 310.426 3.496 20 0 DGADLP CCc1ccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667474625 547195250 /nfs/dbraw/zinc/19/52/50/547195250.db2.gz QAVRVDKTDGQOMA-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP CCc1ccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667474625 547195254 /nfs/dbraw/zinc/19/52/54/547195254.db2.gz QAVRVDKTDGQOMA-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP FC(F)(F)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667495755 547202939 /nfs/dbraw/zinc/20/29/39/547202939.db2.gz XXBXWITXWCIAGM-UHFFFAOYSA-N 2 2 310.323 3.042 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1C ZINC000667533366 547214454 /nfs/dbraw/zinc/21/44/54/547214454.db2.gz OZFXFMJZDMCOLJ-UHFFFAOYSA-N 2 2 323.444 3.183 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1C ZINC000667533366 547214462 /nfs/dbraw/zinc/21/44/62/547214462.db2.gz OZFXFMJZDMCOLJ-UHFFFAOYSA-N 2 2 323.444 3.183 20 0 DGADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000667643081 547254728 /nfs/dbraw/zinc/25/47/28/547254728.db2.gz TVQJGXJCSBFITR-LJQANCHMSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000667643081 547254731 /nfs/dbraw/zinc/25/47/31/547254731.db2.gz TVQJGXJCSBFITR-LJQANCHMSA-N 2 2 319.412 3.308 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666621 547266231 /nfs/dbraw/zinc/26/62/31/547266231.db2.gz SLKSEJYSSFDEDW-FZMZJTMJSA-N 2 2 300.368 3.266 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666621 547266232 /nfs/dbraw/zinc/26/62/32/547266232.db2.gz SLKSEJYSSFDEDW-FZMZJTMJSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666621 547266235 /nfs/dbraw/zinc/26/62/35/547266235.db2.gz SLKSEJYSSFDEDW-FZMZJTMJSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666621 547266239 /nfs/dbraw/zinc/26/62/39/547266239.db2.gz SLKSEJYSSFDEDW-FZMZJTMJSA-N 2 2 300.368 3.266 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666623 547266267 /nfs/dbraw/zinc/26/62/67/547266267.db2.gz SLKSEJYSSFDEDW-SMDDNHRTSA-N 2 2 300.368 3.266 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666623 547266270 /nfs/dbraw/zinc/26/62/70/547266270.db2.gz SLKSEJYSSFDEDW-SMDDNHRTSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666623 547266273 /nfs/dbraw/zinc/26/62/73/547266273.db2.gz SLKSEJYSSFDEDW-SMDDNHRTSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000667666623 547266276 /nfs/dbraw/zinc/26/62/76/547266276.db2.gz SLKSEJYSSFDEDW-SMDDNHRTSA-N 2 2 300.368 3.266 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)n1C ZINC000667670696 547269193 /nfs/dbraw/zinc/26/91/93/547269193.db2.gz XSRNXNRPAAKSOU-DNVCBOLYSA-N 2 2 313.445 3.307 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)n1C ZINC000667670696 547269196 /nfs/dbraw/zinc/26/91/96/547269196.db2.gz XSRNXNRPAAKSOU-DNVCBOLYSA-N 2 2 313.445 3.307 20 0 DGADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667687710 547273990 /nfs/dbraw/zinc/27/39/90/547273990.db2.gz VFPYGCMOKIBMOB-MRXNPFEDSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667687710 547273996 /nfs/dbraw/zinc/27/39/96/547273996.db2.gz VFPYGCMOKIBMOB-MRXNPFEDSA-N 2 2 323.444 3.051 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000667698454 547279008 /nfs/dbraw/zinc/27/90/08/547279008.db2.gz CVEVIWVYURUEQP-SMDDNHRTSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000667698454 547279010 /nfs/dbraw/zinc/27/90/10/547279010.db2.gz CVEVIWVYURUEQP-SMDDNHRTSA-N 2 2 309.335 3.384 20 0 DGADLP c1csc([C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)[NH+]2CCCC2)c1 ZINC000667761789 547295048 /nfs/dbraw/zinc/29/50/48/547295048.db2.gz CNIAGYHWNHUHJU-PMPSAXMXSA-N 2 2 306.475 3.042 20 0 DGADLP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668170312 547401858 /nfs/dbraw/zinc/40/18/58/547401858.db2.gz KOERDBGRWXDXBE-INIZCTEOSA-N 2 2 301.438 3.186 20 0 DGADLP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668170312 547401861 /nfs/dbraw/zinc/40/18/61/547401861.db2.gz KOERDBGRWXDXBE-INIZCTEOSA-N 2 2 301.438 3.186 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172241 547402697 /nfs/dbraw/zinc/40/26/97/547402697.db2.gz ILNJUSZGNZZFPV-BBRMVZONSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172241 547402698 /nfs/dbraw/zinc/40/26/98/547402698.db2.gz ILNJUSZGNZZFPV-BBRMVZONSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172241 547402702 /nfs/dbraw/zinc/40/27/02/547402702.db2.gz ILNJUSZGNZZFPV-BBRMVZONSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172241 547402704 /nfs/dbraw/zinc/40/27/04/547402704.db2.gz ILNJUSZGNZZFPV-BBRMVZONSA-N 2 2 306.425 3.139 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)n1C ZINC000668287067 547436598 /nfs/dbraw/zinc/43/65/98/547436598.db2.gz WDRWYROHLORABD-INIZCTEOSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)n1C ZINC000668287067 547436601 /nfs/dbraw/zinc/43/66/01/547436601.db2.gz WDRWYROHLORABD-INIZCTEOSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c[nH+]1 ZINC000668581110 547485010 /nfs/dbraw/zinc/48/50/10/547485010.db2.gz VZAYLPMPPQPBSG-PMACEKPBSA-N 2 2 310.441 3.485 20 0 DGADLP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)[C@H]21 ZINC000668743119 547527971 /nfs/dbraw/zinc/52/79/71/547527971.db2.gz FKEWBFYATRCRPW-SXLOBPIMSA-N 2 2 323.415 3.117 20 0 DGADLP CSc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000668785415 547541389 /nfs/dbraw/zinc/54/13/89/547541389.db2.gz PUKDYPHPCALAGC-CYBMUJFWSA-N 2 2 314.520 3.013 20 0 DGADLP CSc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000668785415 547541393 /nfs/dbraw/zinc/54/13/93/547541393.db2.gz PUKDYPHPCALAGC-CYBMUJFWSA-N 2 2 314.520 3.013 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c[nH+]1 ZINC000668819376 547549332 /nfs/dbraw/zinc/54/93/32/547549332.db2.gz OLKYPKXBZQZBBC-LJQANCHMSA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c[nH+]1 ZINC000668819376 547549336 /nfs/dbraw/zinc/54/93/36/547549336.db2.gz OLKYPKXBZQZBBC-LJQANCHMSA-N 3 2 301.478 3.034 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669614747 547660994 /nfs/dbraw/zinc/66/09/94/547660994.db2.gz QICYPPCHRIXYCE-QAPCUYQASA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669614747 547660997 /nfs/dbraw/zinc/66/09/97/547660997.db2.gz QICYPPCHRIXYCE-QAPCUYQASA-N 2 2 300.446 3.147 20 0 DGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671763166 547829704 /nfs/dbraw/zinc/82/97/04/547829704.db2.gz GFTSVWWFRRKCBG-GRTSSRMGSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnc3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000673701380 547983956 /nfs/dbraw/zinc/98/39/56/547983956.db2.gz DXKCUUQNQXDLFH-APWZRJJASA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnc3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000673701380 547983962 /nfs/dbraw/zinc/98/39/62/547983962.db2.gz DXKCUUQNQXDLFH-APWZRJJASA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[NH+](C)C ZINC000674288190 548057976 /nfs/dbraw/zinc/05/79/76/548057976.db2.gz PSARQCYQIZGWMX-NSHDSACASA-N 2 2 319.792 3.416 20 0 DGADLP Fc1ccc2oc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)nc2c1 ZINC000674911123 548136466 /nfs/dbraw/zinc/13/64/66/548136466.db2.gz XQRHFSBYDWQLCG-UHFFFAOYSA-N 2 2 300.337 3.070 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCCS1 ZINC000675155319 548161833 /nfs/dbraw/zinc/16/18/33/548161833.db2.gz LOIZSYNFALBOFH-MRXNPFEDSA-N 2 2 305.422 3.387 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000675766322 548267417 /nfs/dbraw/zinc/26/74/17/548267417.db2.gz JBFLCGCZBLMDMC-YPMHNXCESA-N 2 2 314.376 3.041 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000675766322 548267419 /nfs/dbraw/zinc/26/74/19/548267419.db2.gz JBFLCGCZBLMDMC-YPMHNXCESA-N 2 2 314.376 3.041 20 0 DGADLP COCCC[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917730 548291875 /nfs/dbraw/zinc/29/18/75/548291875.db2.gz CFZKJAFQBIPZKX-NVXWUHKLSA-N 2 2 301.434 3.109 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1 ZINC000675919757 548291947 /nfs/dbraw/zinc/29/19/47/548291947.db2.gz ITUXWOMSQPHRPQ-HXUWFJFHSA-N 2 2 317.436 3.461 20 0 DGADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1CCOC1 ZINC000675917524 548292041 /nfs/dbraw/zinc/29/20/41/548292041.db2.gz CMVVDOOGMMYQQP-OKZBNKHCSA-N 2 2 313.445 3.109 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000675928276 548293491 /nfs/dbraw/zinc/29/34/91/548293491.db2.gz MYDQSROHNNBFGF-UWVAXJGDSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000675928276 548293496 /nfs/dbraw/zinc/29/34/96/548293496.db2.gz MYDQSROHNNBFGF-UWVAXJGDSA-N 2 2 324.472 3.080 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000675929500 548294564 /nfs/dbraw/zinc/29/45/64/548294564.db2.gz JJYFZBJQNOWOFT-GOSISDBHSA-N 2 2 302.462 3.109 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076852 548318275 /nfs/dbraw/zinc/31/82/75/548318275.db2.gz GHBMPGWWBAAHGX-PKOBYXMFSA-N 2 2 314.473 3.463 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076852 548318278 /nfs/dbraw/zinc/31/82/78/548318278.db2.gz GHBMPGWWBAAHGX-PKOBYXMFSA-N 2 2 314.473 3.463 20 0 DGADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000676883694 548427061 /nfs/dbraw/zinc/42/70/61/548427061.db2.gz OCGWAQFNDOLHQH-MRVWCRGKSA-N 2 2 317.820 3.207 20 0 DGADLP CC(C)(C)OCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749486 548549459 /nfs/dbraw/zinc/54/94/59/548549459.db2.gz LLZAYEPYXBNEPH-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)(C)OCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749486 548549460 /nfs/dbraw/zinc/54/94/60/548549460.db2.gz LLZAYEPYXBNEPH-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2(O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749569 548550205 /nfs/dbraw/zinc/55/02/05/548550205.db2.gz NYDSKYUWAOEPIH-SFHVURJKSA-N 2 2 316.489 3.324 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2(O)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000677749569 548550212 /nfs/dbraw/zinc/55/02/12/548550212.db2.gz NYDSKYUWAOEPIH-SFHVURJKSA-N 2 2 316.489 3.324 20 0 DGADLP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804345 548557907 /nfs/dbraw/zinc/55/79/07/548557907.db2.gz FJTINVAFUQXOMA-SZMVWBNQSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804345 548557913 /nfs/dbraw/zinc/55/79/13/548557913.db2.gz FJTINVAFUQXOMA-SZMVWBNQSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806779 548559006 /nfs/dbraw/zinc/55/90/06/548559006.db2.gz NUCTZESXITZKBC-UHOSZYNNSA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806779 548559008 /nfs/dbraw/zinc/55/90/08/548559008.db2.gz NUCTZESXITZKBC-UHOSZYNNSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccn1 ZINC000678029847 548596925 /nfs/dbraw/zinc/59/69/25/548596925.db2.gz DCCRMIGDNCAEDB-MAUKXSAKSA-N 2 2 306.413 3.450 20 0 DGADLP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678077955 548608347 /nfs/dbraw/zinc/60/83/47/548608347.db2.gz CJXYAYFKIRLMNQ-MJGOQNOKSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678077955 548608351 /nfs/dbraw/zinc/60/83/51/548608351.db2.gz CJXYAYFKIRLMNQ-MJGOQNOKSA-N 2 2 313.445 3.462 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)c[nH+]1 ZINC000678235207 548649643 /nfs/dbraw/zinc/64/96/43/548649643.db2.gz PKDYXGVHLCCWOH-KRWDZBQOSA-N 2 2 307.401 3.110 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)c[nH+]1 ZINC000678235207 548649647 /nfs/dbraw/zinc/64/96/47/548649647.db2.gz PKDYXGVHLCCWOH-KRWDZBQOSA-N 2 2 307.401 3.110 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cscc3Cl)CC2)c1 ZINC000678237257 548650768 /nfs/dbraw/zinc/65/07/68/548650768.db2.gz QLQXEEFTDBVZMY-UHFFFAOYSA-N 2 2 323.849 3.127 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000678497766 548716874 /nfs/dbraw/zinc/71/68/74/548716874.db2.gz KUCLLXUYZBLZRN-OXHPOLQJSA-N 2 2 316.489 3.495 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000678497766 548716881 /nfs/dbraw/zinc/71/68/81/548716881.db2.gz KUCLLXUYZBLZRN-OXHPOLQJSA-N 2 2 316.489 3.495 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H](C)C1 ZINC000678594354 548735568 /nfs/dbraw/zinc/73/55/68/548735568.db2.gz BCIHGORUXACMBB-ZANVPECISA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H](C)C1 ZINC000678594354 548735573 /nfs/dbraw/zinc/73/55/73/548735573.db2.gz BCIHGORUXACMBB-ZANVPECISA-N 2 2 304.331 3.063 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678770280 548760012 /nfs/dbraw/zinc/76/00/12/548760012.db2.gz BQZXLDYIGAOCBK-DNVCBOLYSA-N 2 2 302.462 3.010 20 0 DGADLP CC1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3F)cc2)CC1 ZINC000678788643 548764064 /nfs/dbraw/zinc/76/40/64/548764064.db2.gz LWKIQWLDZOTETH-UHFFFAOYSA-N 2 2 313.420 3.487 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCCO[C@H](c3ccccc3)C2)[nH+]1 ZINC000678825017 548772366 /nfs/dbraw/zinc/77/23/66/548772366.db2.gz IWNGJXYHECUSKH-SFHVURJKSA-N 2 2 307.397 3.298 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCCO[C@H](c3ccccc3)C2)[nH+]1 ZINC000678825017 548772370 /nfs/dbraw/zinc/77/23/70/548772370.db2.gz IWNGJXYHECUSKH-SFHVURJKSA-N 2 2 307.397 3.298 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000678883827 548787627 /nfs/dbraw/zinc/78/76/27/548787627.db2.gz WCBRDBPCWZRBIV-RTBURBONSA-N 2 2 313.445 3.373 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000678883827 548787630 /nfs/dbraw/zinc/78/76/30/548787630.db2.gz WCBRDBPCWZRBIV-RTBURBONSA-N 2 2 313.445 3.373 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992445 548808075 /nfs/dbraw/zinc/80/80/75/548808075.db2.gz JPWPBLRABCLIOB-CQSZACIVSA-N 2 2 307.507 3.186 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992445 548808080 /nfs/dbraw/zinc/80/80/80/548808080.db2.gz JPWPBLRABCLIOB-CQSZACIVSA-N 2 2 307.507 3.186 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992445 548808085 /nfs/dbraw/zinc/80/80/85/548808085.db2.gz JPWPBLRABCLIOB-CQSZACIVSA-N 2 2 307.507 3.186 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992445 548808088 /nfs/dbraw/zinc/80/80/88/548808088.db2.gz JPWPBLRABCLIOB-CQSZACIVSA-N 2 2 307.507 3.186 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994023 548808877 /nfs/dbraw/zinc/80/88/77/548808877.db2.gz ZTLPGFYAIJOTLU-ZFWWWQNUSA-N 2 2 307.507 3.184 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994023 548808881 /nfs/dbraw/zinc/80/88/81/548808881.db2.gz ZTLPGFYAIJOTLU-ZFWWWQNUSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994023 548808886 /nfs/dbraw/zinc/80/88/86/548808886.db2.gz ZTLPGFYAIJOTLU-ZFWWWQNUSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994023 548808890 /nfs/dbraw/zinc/80/88/90/548808890.db2.gz ZTLPGFYAIJOTLU-ZFWWWQNUSA-N 2 2 307.507 3.184 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045982 548822442 /nfs/dbraw/zinc/82/24/42/548822442.db2.gz YPVKINDJIBBQOG-YQVWRLOYSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045982 548822445 /nfs/dbraw/zinc/82/24/45/548822445.db2.gz YPVKINDJIBBQOG-YQVWRLOYSA-N 2 2 304.478 3.038 20 0 DGADLP COc1ccc(N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH+]c1 ZINC000679068814 548825319 /nfs/dbraw/zinc/82/53/19/548825319.db2.gz PUUHVVMNFXOSEY-CQSZACIVSA-N 2 2 315.417 3.204 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679072664 548826790 /nfs/dbraw/zinc/82/67/90/548826790.db2.gz BVDOVNNWUHLDMC-IIAWOOMASA-N 2 2 309.404 3.069 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679072664 548826792 /nfs/dbraw/zinc/82/67/92/548826792.db2.gz BVDOVNNWUHLDMC-IIAWOOMASA-N 2 2 309.404 3.069 20 0 DGADLP Cc1ccc(CNc2[nH+]c(C)nc3[nH]ccc32)c(N2CCCC2)[nH+]1 ZINC000679705888 548942141 /nfs/dbraw/zinc/94/21/41/548942141.db2.gz BWFQCWDOZLWKSE-UHFFFAOYSA-N 2 2 322.416 3.182 20 0 DGADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000679723481 548944895 /nfs/dbraw/zinc/94/48/95/548944895.db2.gz LQQKMYWSXLUMGK-UHOSZYNNSA-N 2 2 311.429 3.065 20 0 DGADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000679723481 548944898 /nfs/dbraw/zinc/94/48/98/548944898.db2.gz LQQKMYWSXLUMGK-UHOSZYNNSA-N 2 2 311.429 3.065 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1cn2cccc(C)c2[nH+]1 ZINC000680866475 549118454 /nfs/dbraw/zinc/11/84/54/549118454.db2.gz ZYAWADAEGWZVCV-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)CCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000682075503 549285950 /nfs/dbraw/zinc/28/59/50/549285950.db2.gz HNQRXEQZANGRQY-PXNSSMCTSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)CCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000682075503 549285951 /nfs/dbraw/zinc/28/59/51/549285951.db2.gz HNQRXEQZANGRQY-PXNSSMCTSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075503 549285952 /nfs/dbraw/zinc/28/59/52/549285952.db2.gz HNQRXEQZANGRQY-PXNSSMCTSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075503 549285953 /nfs/dbraw/zinc/28/59/53/549285953.db2.gz HNQRXEQZANGRQY-PXNSSMCTSA-N 2 2 324.472 3.004 20 0 DGADLP c1c[nH+]c([C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2ccccc2)[nH]1 ZINC000682139376 549295610 /nfs/dbraw/zinc/29/56/10/549295610.db2.gz SWRXSJNPYFLPPD-KRWDZBQOSA-N 2 2 316.368 3.192 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000682378691 549312582 /nfs/dbraw/zinc/31/25/82/549312582.db2.gz WCMOYMREWHGITO-ZWOKBUDYSA-N 3 2 317.521 3.306 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000682779805 549373175 /nfs/dbraw/zinc/37/31/75/549373175.db2.gz NAPRFPQEYXDXQK-SJORKVTESA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000682779805 549373178 /nfs/dbraw/zinc/37/31/78/549373178.db2.gz NAPRFPQEYXDXQK-SJORKVTESA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000682779805 549373183 /nfs/dbraw/zinc/37/31/83/549373183.db2.gz NAPRFPQEYXDXQK-SJORKVTESA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000682779805 549373186 /nfs/dbraw/zinc/37/31/86/549373186.db2.gz NAPRFPQEYXDXQK-SJORKVTESA-N 2 2 319.468 3.211 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000682913320 549393987 /nfs/dbraw/zinc/39/39/87/549393987.db2.gz ULJGDOMZCUDOJK-MSOLQXFVSA-N 2 2 318.505 3.425 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000682913320 549393989 /nfs/dbraw/zinc/39/39/89/549393989.db2.gz ULJGDOMZCUDOJK-MSOLQXFVSA-N 2 2 318.505 3.425 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683436109 549484672 /nfs/dbraw/zinc/48/46/72/549484672.db2.gz LTJFOPKTMPXBRD-WBVHZDCISA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683436109 549484674 /nfs/dbraw/zinc/48/46/74/549484674.db2.gz LTJFOPKTMPXBRD-WBVHZDCISA-N 2 2 300.446 3.159 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000683898690 549552652 /nfs/dbraw/zinc/55/26/52/549552652.db2.gz SGRRKNURMJBUQP-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000683898690 549552655 /nfs/dbraw/zinc/55/26/55/549552655.db2.gz SGRRKNURMJBUQP-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000683898690 549552660 /nfs/dbraw/zinc/55/26/60/549552660.db2.gz SGRRKNURMJBUQP-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000683898690 549552662 /nfs/dbraw/zinc/55/26/62/549552662.db2.gz SGRRKNURMJBUQP-RHSMWYFYSA-N 2 2 305.466 3.378 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000684367928 549620061 /nfs/dbraw/zinc/62/00/61/549620061.db2.gz ISCROAUSGWTMRM-MOPGFXCFSA-N 2 2 316.489 3.371 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000684367928 549620063 /nfs/dbraw/zinc/62/00/63/549620063.db2.gz ISCROAUSGWTMRM-MOPGFXCFSA-N 2 2 316.489 3.371 20 0 DGADLP FC(F)(F)c1cccnc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684425799 549635819 /nfs/dbraw/zinc/63/58/19/549635819.db2.gz RVHFZYXSNJYXHC-UHFFFAOYSA-N 2 2 313.367 3.207 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)c[nH+]1 ZINC000684612717 549668478 /nfs/dbraw/zinc/66/84/78/549668478.db2.gz JCXWEYKKAHLDER-GOSISDBHSA-N 2 2 311.429 3.088 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)c[nH+]1 ZINC000684612717 549668482 /nfs/dbraw/zinc/66/84/82/549668482.db2.gz JCXWEYKKAHLDER-GOSISDBHSA-N 2 2 311.429 3.088 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCc3cccnc32)c[nH+]1 ZINC000684955728 549724828 /nfs/dbraw/zinc/72/48/28/549724828.db2.gz LRDCZHAYEQEBRI-QGZVFWFLSA-N 2 2 304.397 3.435 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000685438144 549759554 /nfs/dbraw/zinc/75/95/54/549759554.db2.gz QLIDMWAOIVIOIV-SFHVURJKSA-N 2 2 322.416 3.026 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000685438144 549759558 /nfs/dbraw/zinc/75/95/58/549759558.db2.gz QLIDMWAOIVIOIV-SFHVURJKSA-N 2 2 322.416 3.026 20 0 DGADLP COc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1F ZINC000685447764 549761975 /nfs/dbraw/zinc/76/19/75/549761975.db2.gz ONXCPEAJXCRPTO-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1F ZINC000685447764 549761978 /nfs/dbraw/zinc/76/19/78/549761978.db2.gz ONXCPEAJXCRPTO-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1F ZINC000685447764 549761981 /nfs/dbraw/zinc/76/19/81/549761981.db2.gz ONXCPEAJXCRPTO-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000685573591 549776649 /nfs/dbraw/zinc/77/66/49/549776649.db2.gz WOMQBAZWJKAZRO-RDTXWAMCSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000685573591 549776654 /nfs/dbraw/zinc/77/66/54/549776654.db2.gz WOMQBAZWJKAZRO-RDTXWAMCSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)no1 ZINC000685648452 549784884 /nfs/dbraw/zinc/78/48/84/549784884.db2.gz KZTRMOCPULYFDQ-WMLDXEAASA-N 2 2 310.401 3.351 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Cl ZINC000742374852 574993582 /nfs/dbraw/zinc/99/35/82/574993582.db2.gz IEEARJLDTNDRFR-GXTWGEPZSA-N 2 2 312.889 3.217 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1Cl ZINC000742374852 574993585 /nfs/dbraw/zinc/99/35/85/574993585.db2.gz IEEARJLDTNDRFR-GXTWGEPZSA-N 2 2 312.889 3.217 20 0 DGADLP Cc1c(C[NH2+]CC[N@H+]2CCC[C@H]2C)sc2nc(C)nc(C)c12 ZINC000742386360 574995268 /nfs/dbraw/zinc/99/52/68/574995268.db2.gz BPLLNWQZZWOXGX-LLVKDONJSA-N 2 2 318.490 3.190 20 0 DGADLP Cc1c(C[NH2+]CC[N@@H+]2CCC[C@H]2C)sc2nc(C)nc(C)c12 ZINC000742386360 574995269 /nfs/dbraw/zinc/99/52/69/574995269.db2.gz BPLLNWQZZWOXGX-LLVKDONJSA-N 2 2 318.490 3.190 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000742942646 575025720 /nfs/dbraw/zinc/02/57/20/575025720.db2.gz RJYWXPHNHHKBGJ-UHFFFAOYSA-N 2 2 316.449 3.332 20 0 DGADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000742942646 575025722 /nfs/dbraw/zinc/02/57/22/575025722.db2.gz RJYWXPHNHHKBGJ-UHFFFAOYSA-N 2 2 316.449 3.332 20 0 DGADLP CCC(C)(C)CC[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000744399310 575340159 /nfs/dbraw/zinc/34/01/59/575340159.db2.gz IWNGYURIFOIFTR-FQEVSTJZSA-N 2 2 318.505 3.429 20 0 DGADLP CCC(C)(C)CC[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000744399310 575340161 /nfs/dbraw/zinc/34/01/61/575340161.db2.gz IWNGYURIFOIFTR-FQEVSTJZSA-N 2 2 318.505 3.429 20 0 DGADLP COc1cccc2cc(C[NH2+]CCCNc3cccc[nH+]3)oc21 ZINC000751504594 575787636 /nfs/dbraw/zinc/78/76/36/575787636.db2.gz AGSOSGOXGHGPIQ-UHFFFAOYSA-N 2 2 311.385 3.428 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000398042641 575960266 /nfs/dbraw/zinc/96/02/66/575960266.db2.gz TXZCSIPCXDTWLG-DSLXNQLJSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000398042641 575960269 /nfs/dbraw/zinc/96/02/69/575960269.db2.gz TXZCSIPCXDTWLG-DSLXNQLJSA-N 2 2 302.462 3.197 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000726606856 576032311 /nfs/dbraw/zinc/03/23/11/576032311.db2.gz DGRSDXFVKACTBR-WJDWOHSUSA-N 2 2 304.397 3.460 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC1=Cc2ccccc2OC1 ZINC000727645519 576136232 /nfs/dbraw/zinc/13/62/32/576136232.db2.gz OVADGZGXNWUTFR-GOSISDBHSA-N 2 2 311.429 3.363 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)c2)[nH+]c1C ZINC000852862840 620653149 /nfs/dbraw/zinc/65/31/49/620653149.db2.gz KZGGTKCODUPMRQ-OAHLLOKOSA-N 2 2 312.417 3.020 20 0 DGADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000806162832 617635828 /nfs/dbraw/zinc/63/58/28/617635828.db2.gz HBFIEBSAKFBTQD-PIMMBPRGSA-N 2 2 305.853 3.329 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000891726164 617883423 /nfs/dbraw/zinc/88/34/23/617883423.db2.gz XEZSPUTXTZUJCZ-HNNXBMFYSA-N 2 2 301.438 3.184 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000891726164 617883430 /nfs/dbraw/zinc/88/34/30/617883430.db2.gz XEZSPUTXTZUJCZ-HNNXBMFYSA-N 2 2 301.438 3.184 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2c(n1)CCCC2 ZINC000891724664 617883898 /nfs/dbraw/zinc/88/38/98/617883898.db2.gz IDSGRITVRMXGMZ-OAHLLOKOSA-N 2 2 310.445 3.372 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2c(n1)CCCC2 ZINC000891724664 617883904 /nfs/dbraw/zinc/88/39/04/617883904.db2.gz IDSGRITVRMXGMZ-OAHLLOKOSA-N 2 2 310.445 3.372 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000926229655 617896842 /nfs/dbraw/zinc/89/68/42/617896842.db2.gz PBFGUYORSPUAAV-FXAWDEMLSA-N 2 2 318.424 3.281 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101727 617961877 /nfs/dbraw/zinc/96/18/77/617961877.db2.gz BSTMZWAAEJCRBY-QAPCUYQASA-N 2 2 318.509 3.382 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101727 617961881 /nfs/dbraw/zinc/96/18/81/617961881.db2.gz BSTMZWAAEJCRBY-QAPCUYQASA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101727 617961882 /nfs/dbraw/zinc/96/18/82/617961882.db2.gz BSTMZWAAEJCRBY-QAPCUYQASA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101727 617961884 /nfs/dbraw/zinc/96/18/84/617961884.db2.gz BSTMZWAAEJCRBY-QAPCUYQASA-N 2 2 318.509 3.382 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105902 617963447 /nfs/dbraw/zinc/96/34/47/617963447.db2.gz QOVXNDMEOAXFNP-QAPCUYQASA-N 2 2 318.509 3.240 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105902 617963451 /nfs/dbraw/zinc/96/34/51/617963451.db2.gz QOVXNDMEOAXFNP-QAPCUYQASA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105902 617963454 /nfs/dbraw/zinc/96/34/54/617963454.db2.gz QOVXNDMEOAXFNP-QAPCUYQASA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105902 617963456 /nfs/dbraw/zinc/96/34/56/617963456.db2.gz QOVXNDMEOAXFNP-QAPCUYQASA-N 2 2 318.509 3.240 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892237466 617992561 /nfs/dbraw/zinc/99/25/61/617992561.db2.gz ZOAOPTYZAQYGAS-LRDDRELGSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892237466 617992563 /nfs/dbraw/zinc/99/25/63/617992563.db2.gz ZOAOPTYZAQYGAS-LRDDRELGSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000892237466 617992567 /nfs/dbraw/zinc/99/25/67/617992567.db2.gz ZOAOPTYZAQYGAS-LRDDRELGSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000892237466 617992573 /nfs/dbraw/zinc/99/25/73/617992573.db2.gz ZOAOPTYZAQYGAS-LRDDRELGSA-N 2 2 322.884 3.074 20 0 DGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926556573 618047676 /nfs/dbraw/zinc/04/76/76/618047676.db2.gz YGWWGRARZZDGBP-AEFFLSMTSA-N 2 2 301.478 3.257 20 0 DGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926556573 618047679 /nfs/dbraw/zinc/04/76/79/618047679.db2.gz YGWWGRARZZDGBP-AEFFLSMTSA-N 2 2 301.478 3.257 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924580051 618121257 /nfs/dbraw/zinc/12/12/57/618121257.db2.gz SNSAQSISTDOKBO-MRXNPFEDSA-N 2 2 307.869 3.434 20 0 DGADLP FC(F)(F)Cc1ncc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000892657549 618128785 /nfs/dbraw/zinc/12/87/85/618128785.db2.gz AXLFCGJXRXDKHZ-UHFFFAOYSA-N 2 2 318.368 3.014 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)[nH+]c1 ZINC000925477049 620782898 /nfs/dbraw/zinc/78/28/98/620782898.db2.gz KVWAIJPPPNPRIY-ROUUACIJSA-N 3 2 316.493 3.032 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(C(C)(C)C)oc2C)CC1 ZINC000892801163 618314184 /nfs/dbraw/zinc/31/41/84/618314184.db2.gz KVYZZEVALBBNGO-UHFFFAOYSA-N 2 2 322.493 3.476 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccn2c[nH+]cc12 ZINC000892820055 618317670 /nfs/dbraw/zinc/31/76/70/618317670.db2.gz PNOGPSIHRIEQKS-NVXWUHKLSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccn2c[nH+]cc12 ZINC000892820055 618317678 /nfs/dbraw/zinc/31/76/78/618317678.db2.gz PNOGPSIHRIEQKS-NVXWUHKLSA-N 2 2 321.428 3.052 20 0 DGADLP CCn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)n1 ZINC000894472131 618341637 /nfs/dbraw/zinc/34/16/37/618341637.db2.gz PHJVTRVOZYCAGW-UHFFFAOYSA-N 2 2 315.465 3.100 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000894476971 618348335 /nfs/dbraw/zinc/34/83/35/618348335.db2.gz UXCFSULJZLQCBK-UHFFFAOYSA-N 2 2 318.368 3.189 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000894476971 618348339 /nfs/dbraw/zinc/34/83/39/618348339.db2.gz UXCFSULJZLQCBK-UHFFFAOYSA-N 2 2 318.368 3.189 20 0 DGADLP Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc(C2CCC2)[nH+]1 ZINC000892984414 618377247 /nfs/dbraw/zinc/37/72/47/618377247.db2.gz SBQBHQCFWGVERA-KRWDZBQOSA-N 2 2 314.477 3.221 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925502351 618419814 /nfs/dbraw/zinc/41/98/14/618419814.db2.gz KWPIZGSJLVMUQI-ATZDWAIDSA-N 3 2 313.489 3.072 20 0 DGADLP Cc1ncoc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747134 618443065 /nfs/dbraw/zinc/44/30/65/618443065.db2.gz CGBPXSYVWLULLX-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncoc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747134 618443071 /nfs/dbraw/zinc/44/30/71/618443071.db2.gz CGBPXSYVWLULLX-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncoc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894747134 618443078 /nfs/dbraw/zinc/44/30/78/618443078.db2.gz CGBPXSYVWLULLX-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncoc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894747134 618443086 /nfs/dbraw/zinc/44/30/86/618443086.db2.gz CGBPXSYVWLULLX-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895301697 618591612 /nfs/dbraw/zinc/59/16/12/618591612.db2.gz KGJZOJBCRZRQBX-NEWSRXKRSA-N 2 2 313.445 3.109 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895301697 618591615 /nfs/dbraw/zinc/59/16/15/618591615.db2.gz KGJZOJBCRZRQBX-NEWSRXKRSA-N 2 2 313.445 3.109 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925776568 618616168 /nfs/dbraw/zinc/61/61/68/618616168.db2.gz MAVPBJUVMXHENA-ABAIWWIYSA-N 2 2 318.358 3.496 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000893977272 618686543 /nfs/dbraw/zinc/68/65/43/618686543.db2.gz DBFHVDVFBLMCLB-IAGOWNOFSA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000893977272 618686545 /nfs/dbraw/zinc/68/65/45/618686545.db2.gz DBFHVDVFBLMCLB-IAGOWNOFSA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893977272 618686547 /nfs/dbraw/zinc/68/65/47/618686547.db2.gz DBFHVDVFBLMCLB-IAGOWNOFSA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893977272 618686548 /nfs/dbraw/zinc/68/65/48/618686548.db2.gz DBFHVDVFBLMCLB-IAGOWNOFSA-N 2 2 316.493 3.059 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000894135676 618717864 /nfs/dbraw/zinc/71/78/64/618717864.db2.gz ZECLNZKGQAQQEY-QGZVFWFLSA-N 2 2 314.429 3.290 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000894135676 618717866 /nfs/dbraw/zinc/71/78/66/618717866.db2.gz ZECLNZKGQAQQEY-QGZVFWFLSA-N 2 2 314.429 3.290 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894173030 618724262 /nfs/dbraw/zinc/72/42/62/618724262.db2.gz DXALPUWWLGFIJF-JTQLQIEISA-N 2 2 306.822 3.325 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH]cn3)cc2)C1 ZINC000894184362 618725458 /nfs/dbraw/zinc/72/54/58/618725458.db2.gz YCWUGSSMOSXBCR-IYBDPMFKSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3c[nH]cn3)cc2)C1 ZINC000894184362 618725459 /nfs/dbraw/zinc/72/54/59/618725459.db2.gz YCWUGSSMOSXBCR-IYBDPMFKSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3c[nH]cn3)cc2)C1 ZINC000894184361 618725636 /nfs/dbraw/zinc/72/56/36/618725636.db2.gz YCWUGSSMOSXBCR-HZPDHXFCSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc2c1OCO2 ZINC000924926644 618740335 /nfs/dbraw/zinc/74/03/35/618740335.db2.gz LYWKYXUEWJJSIJ-AWEZNQCLSA-N 2 2 313.401 3.353 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2COCC2(C)C)c(C)c1 ZINC000894356481 618771077 /nfs/dbraw/zinc/77/10/77/618771077.db2.gz KGNPQDWYGXUYSB-ROUUACIJSA-N 2 2 313.445 3.256 20 0 DGADLP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnc1Cl ZINC000895556525 618798824 /nfs/dbraw/zinc/79/88/24/618798824.db2.gz JKLZEGCLRXTPBZ-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnc1Cl ZINC000895556525 618798827 /nfs/dbraw/zinc/79/88/27/618798827.db2.gz JKLZEGCLRXTPBZ-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP CCOCOc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671001 618816155 /nfs/dbraw/zinc/81/61/55/618816155.db2.gz KUFOYVKCGZPJIP-UHFFFAOYSA-N 2 2 318.461 3.120 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895708148 618822246 /nfs/dbraw/zinc/82/22/46/618822246.db2.gz ZNJYHUZTEDCHET-JQHSSLGASA-N 2 2 301.434 3.275 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000895752479 618827126 /nfs/dbraw/zinc/82/71/26/618827126.db2.gz BZXQAAHRZQLRII-UHFFFAOYSA-N 2 2 318.461 3.088 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000895754007 618827747 /nfs/dbraw/zinc/82/77/47/618827747.db2.gz LYXWBVWFCQJQKF-OAHLLOKOSA-N 2 2 302.462 3.316 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846189 618841445 /nfs/dbraw/zinc/84/14/45/618841445.db2.gz ZJBBIQSFAXMHMJ-IEBWSBKVSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846189 618841447 /nfs/dbraw/zinc/84/14/47/618841447.db2.gz ZJBBIQSFAXMHMJ-IEBWSBKVSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846189 618841449 /nfs/dbraw/zinc/84/14/49/618841449.db2.gz ZJBBIQSFAXMHMJ-IEBWSBKVSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846189 618841456 /nfs/dbraw/zinc/84/14/56/618841456.db2.gz ZJBBIQSFAXMHMJ-IEBWSBKVSA-N 2 2 323.440 3.400 20 0 DGADLP CCn1c[nH+]c2c1CCN(c1cc(C)[nH+]c3ccc(F)cc31)C2 ZINC000896659389 618940197 /nfs/dbraw/zinc/94/01/97/618940197.db2.gz DLBLCMDXVZXDDM-UHFFFAOYSA-N 2 2 310.376 3.461 20 0 DGADLP Oc1cncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000897304370 619049705 /nfs/dbraw/zinc/04/97/05/619049705.db2.gz CWHFCYVFQXGUCL-FXAWDEMLSA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000897304370 619049708 /nfs/dbraw/zinc/04/97/08/619049708.db2.gz CWHFCYVFQXGUCL-FXAWDEMLSA-N 2 2 323.440 3.245 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccc(C[NH+](C)C)c1 ZINC000925170251 619064825 /nfs/dbraw/zinc/06/48/25/619064825.db2.gz LJLXJUBXDBJKFZ-MAUKXSAKSA-N 3 2 312.461 3.173 20 0 DGADLP Clc1ccnc2c1CC[C@@H]2[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925172547 619065908 /nfs/dbraw/zinc/06/59/08/619065908.db2.gz UBMJTZDSONDVNE-RISCZKNCSA-N 2 2 302.809 3.086 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925292758 619144830 /nfs/dbraw/zinc/14/48/30/619144830.db2.gz NQILRFUXDLVTRL-BVBHFADKSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925292758 619144831 /nfs/dbraw/zinc/14/48/31/619144831.db2.gz NQILRFUXDLVTRL-BVBHFADKSA-N 2 2 302.462 3.105 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985827 619203392 /nfs/dbraw/zinc/20/33/92/619203392.db2.gz RRHCMLCPHQSXER-UHFFFAOYSA-N 2 2 324.472 3.492 20 0 DGADLP CC1(C)CCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)O1 ZINC000898048417 619204734 /nfs/dbraw/zinc/20/47/34/619204734.db2.gz KTAKLXDEVZHPNZ-CQSZACIVSA-N 2 2 305.447 3.371 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000923886385 619250266 /nfs/dbraw/zinc/25/02/66/619250266.db2.gz NCWWHVBGELQDPL-MRXNPFEDSA-N 2 2 323.400 3.468 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000923886385 619250270 /nfs/dbraw/zinc/25/02/70/619250270.db2.gz NCWWHVBGELQDPL-MRXNPFEDSA-N 2 2 323.400 3.468 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704317 619260729 /nfs/dbraw/zinc/26/07/29/619260729.db2.gz DISAXJMBQCPAKC-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704317 619260732 /nfs/dbraw/zinc/26/07/32/619260732.db2.gz DISAXJMBQCPAKC-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)[NH+]1CCCCC1 ZINC000924727344 619268386 /nfs/dbraw/zinc/26/83/86/619268386.db2.gz UMBKOWWWFQBDIG-ZIFCJYIRSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cn2c([nH+]1)CCCC2 ZINC000924739449 619292592 /nfs/dbraw/zinc/29/25/92/619292592.db2.gz PDUHMCIILNDXDW-GPMSIDNRSA-N 2 2 318.509 3.381 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000924771445 619401088 /nfs/dbraw/zinc/40/10/88/619401088.db2.gz YGARDJZFVGKSBS-IBGZPJMESA-N 2 2 311.429 3.167 20 0 DGADLP [NH3+]CCCC[C@@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1F ZINC000902363966 619627582 /nfs/dbraw/zinc/62/75/82/619627582.db2.gz XJHRAAUCWINNNA-MRXNPFEDSA-N 2 2 323.362 3.459 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902433511 619635300 /nfs/dbraw/zinc/63/53/00/619635300.db2.gz LHPJRTUUSKVMNL-GPMSIDNRSA-N 2 2 312.388 3.036 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000902439624 619636619 /nfs/dbraw/zinc/63/66/19/619636619.db2.gz SGUGCLJBGKWLTJ-JWOSDPRPSA-N 2 2 322.452 3.369 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000902439626 619636672 /nfs/dbraw/zinc/63/66/72/619636672.db2.gz SGUGCLJBGKWLTJ-NMSZZDKCSA-N 2 2 322.452 3.369 20 0 DGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000902439952 619636743 /nfs/dbraw/zinc/63/67/43/619636743.db2.gz VOBZXZCGRFLFTN-SQGPQFPESA-N 2 2 324.424 3.123 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H](C)c1nc2ccccc2s1 ZINC000902475328 619638469 /nfs/dbraw/zinc/63/84/69/619638469.db2.gz IJCANDOGRKUPEC-XLFUENPSSA-N 2 2 301.459 3.271 20 0 DGADLP COc1cccc(-c2cc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])on2)c1 ZINC000902455695 619640306 /nfs/dbraw/zinc/64/03/06/619640306.db2.gz YENFXZDZEKVAFH-IRXDYDNUSA-N 2 2 315.417 3.100 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000902465324 619641620 /nfs/dbraw/zinc/64/16/20/619641620.db2.gz FOAOQPLUUAUYOY-BYNSBNAKSA-N 2 2 309.251 3.383 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902468918 619642298 /nfs/dbraw/zinc/64/22/98/619642298.db2.gz YFZHAHDQTPGJKO-BVOGOJNSSA-N 2 2 322.452 3.462 20 0 DGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902485280 619646135 /nfs/dbraw/zinc/64/61/35/619646135.db2.gz ZEFSLLGDARHBEE-SNRMKQJTSA-N 2 2 320.452 3.415 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c(C)c1 ZINC000902486252 619646141 /nfs/dbraw/zinc/64/61/41/619646141.db2.gz CKFCLXBZOPYASW-SJORKVTESA-N 2 2 317.477 3.142 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cn1 ZINC000902759174 619671561 /nfs/dbraw/zinc/67/15/61/619671561.db2.gz QOQNODVEHFSUNR-GFCCVEGCSA-N 2 2 312.339 3.428 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761127 619671868 /nfs/dbraw/zinc/67/18/68/619671868.db2.gz KPYPLOPIJFCHJB-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761127 619671871 /nfs/dbraw/zinc/67/18/71/619671871.db2.gz KPYPLOPIJFCHJB-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902808282 619676194 /nfs/dbraw/zinc/67/61/94/619676194.db2.gz HOYMUKNEALGUKV-WMLDXEAASA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902840102 619682876 /nfs/dbraw/zinc/68/28/76/619682876.db2.gz YECLYWPMFIAKRE-CZUORRHYSA-N 2 2 319.499 3.372 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902897189 619689895 /nfs/dbraw/zinc/68/98/95/619689895.db2.gz OMINPKQNZFIVOS-QAPCUYQASA-N 2 2 313.445 3.320 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903014604 619704930 /nfs/dbraw/zinc/70/49/30/619704930.db2.gz XXEOMOSUZJDEBU-CQSZACIVSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(CC2CCC2)c1 ZINC000903084481 619713331 /nfs/dbraw/zinc/71/33/31/619713331.db2.gz YUDMJXCLIDKFPD-HNNXBMFYSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(CC2CCC2)c1 ZINC000903105805 619717626 /nfs/dbraw/zinc/71/76/26/619717626.db2.gz DXQSZVDVALXTGR-HNNXBMFYSA-N 2 2 313.449 3.231 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903093644 619719036 /nfs/dbraw/zinc/71/90/36/619719036.db2.gz KMZWARFSFFUWKR-IPJCAIGPSA-N 2 2 323.440 3.028 20 0 DGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1nc2c(s1)CCCC2 ZINC000903224378 619742319 /nfs/dbraw/zinc/74/23/19/619742319.db2.gz VHSJEDDXHCCMTM-LQDVMPOASA-N 2 2 317.502 3.269 20 0 DGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1nc2c(s1)CCCC2 ZINC000903224378 619742321 /nfs/dbraw/zinc/74/23/21/619742321.db2.gz VHSJEDDXHCCMTM-LQDVMPOASA-N 2 2 317.502 3.269 20 0 DGADLP COC1([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000903376986 619767801 /nfs/dbraw/zinc/76/78/01/619767801.db2.gz IDZLHZPBUBEOQL-AEFFLSMTSA-N 2 2 319.493 3.402 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]C1CC(OC(C)(C)C)C1)c1cccnc1 ZINC000903379911 619768681 /nfs/dbraw/zinc/76/86/81/619768681.db2.gz IYYVBLNJRRUFHE-JCYILVPMSA-N 2 2 305.466 3.010 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381106 619768748 /nfs/dbraw/zinc/76/87/48/619768748.db2.gz QZYPBJZSDLIQIV-HNAYVOBHSA-N 2 2 315.436 3.434 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379827 619768753 /nfs/dbraw/zinc/76/87/53/619768753.db2.gz ZDDMGEZSHPKOOV-VQIMIIECSA-N 2 2 312.461 3.080 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C[C@@H]1OC ZINC000903381266 619768897 /nfs/dbraw/zinc/76/88/97/619768897.db2.gz UMIRAKHFTZVGAJ-KURKYZTESA-N 2 2 319.493 3.258 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903398380 619773504 /nfs/dbraw/zinc/77/35/04/619773504.db2.gz WEZYETHIVATHLR-MRXNPFEDSA-N 2 2 321.424 3.258 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903402882 619773939 /nfs/dbraw/zinc/77/39/39/619773939.db2.gz HOYVJAFIMNQDGI-INIZCTEOSA-N 2 2 321.424 3.258 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000903732615 619805840 /nfs/dbraw/zinc/80/58/40/619805840.db2.gz GXUMWCTZGLTVNK-SCTDSRPQSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000903732615 619805842 /nfs/dbraw/zinc/80/58/42/619805842.db2.gz GXUMWCTZGLTVNK-SCTDSRPQSA-N 2 2 302.462 3.147 20 0 DGADLP CC(C)(C[NH3+])C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000903790402 619810961 /nfs/dbraw/zinc/81/09/61/619810961.db2.gz HBZJUYKTTDDLCQ-UHFFFAOYSA-N 3 2 312.461 3.069 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903782857 619812892 /nfs/dbraw/zinc/81/28/92/619812892.db2.gz SPFFAFALDSKHOU-SFHVURJKSA-N 3 2 307.526 3.107 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903804470 619816748 /nfs/dbraw/zinc/81/67/48/619816748.db2.gz HEGDFWCBRTWFIL-APWZRJJASA-N 2 2 311.429 3.353 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903804470 619816752 /nfs/dbraw/zinc/81/67/52/619816752.db2.gz HEGDFWCBRTWFIL-APWZRJJASA-N 2 2 311.429 3.353 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(Nc3ccccc3)n1)C2 ZINC000903842147 619822368 /nfs/dbraw/zinc/82/23/68/619822368.db2.gz KLHZEEHLUSUJHW-XEZPLFJOSA-N 2 2 314.458 3.198 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(Nc3ccccc3)n1)C2 ZINC000903842147 619822371 /nfs/dbraw/zinc/82/23/71/619822371.db2.gz KLHZEEHLUSUJHW-XEZPLFJOSA-N 2 2 314.458 3.198 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000903890273 619826184 /nfs/dbraw/zinc/82/61/84/619826184.db2.gz AWMZVUXMNHPSKZ-HUUCEWRRSA-N 2 2 300.368 3.205 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000903890273 619826187 /nfs/dbraw/zinc/82/61/87/619826187.db2.gz AWMZVUXMNHPSKZ-HUUCEWRRSA-N 2 2 300.368 3.205 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000903945752 619843105 /nfs/dbraw/zinc/84/31/05/619843105.db2.gz YCDQQMINBXZTMP-VHSXEESVSA-N 2 2 319.396 3.081 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000903945752 619843108 /nfs/dbraw/zinc/84/31/08/619843108.db2.gz YCDQQMINBXZTMP-VHSXEESVSA-N 2 2 319.396 3.081 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(-c2ccnn2C)c1 ZINC000904429309 619921360 /nfs/dbraw/zinc/92/13/60/619921360.db2.gz CZMFWSYVGJZDLK-HXUWFJFHSA-N 2 2 324.472 3.114 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(-c2ccnn2C)c1 ZINC000904429309 619921361 /nfs/dbraw/zinc/92/13/61/619921361.db2.gz CZMFWSYVGJZDLK-HXUWFJFHSA-N 2 2 324.472 3.114 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C1CCCCC1 ZINC000842476773 620457267 /nfs/dbraw/zinc/45/72/67/620457267.db2.gz VHIJLGCPCMYFFH-LBPRGKRZSA-N 2 2 302.249 3.386 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000753670529 620458727 /nfs/dbraw/zinc/45/87/27/620458727.db2.gz AKUZLCRTNSUZHI-QAPCUYQASA-N 2 2 322.518 3.400 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C)cc2)[nH+]c1C ZINC000921662042 620929158 /nfs/dbraw/zinc/92/91/58/620929158.db2.gz SKGDFPXQMFDTEP-INIZCTEOSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)[nH+]c1C ZINC000921662042 620929159 /nfs/dbraw/zinc/92/91/59/620929159.db2.gz SKGDFPXQMFDTEP-INIZCTEOSA-N 2 2 312.417 3.116 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000921667036 620930011 /nfs/dbraw/zinc/93/00/11/620930011.db2.gz KSYWEJKIKGPIJC-UHFFFAOYSA-N 2 2 307.829 3.002 20 0 DGADLP c1cn(-c2csc(C[NH2+]Cc3nccc4c3CCCC4)c2)c[nH+]1 ZINC000922467308 621041953 /nfs/dbraw/zinc/04/19/53/621041953.db2.gz SPBMKSGQDNIANF-UHFFFAOYSA-N 2 2 324.453 3.497 20 0 DGADLP C[C@@H]1CCC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747294 621092848 /nfs/dbraw/zinc/09/28/48/621092848.db2.gz XTIMJSPXOAKYMC-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CCC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747294 621092850 /nfs/dbraw/zinc/09/28/50/621092850.db2.gz XTIMJSPXOAKYMC-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000857851085 621122277 /nfs/dbraw/zinc/12/22/77/621122277.db2.gz GRVPABKUCSJNOR-MJGOQNOKSA-N 2 2 324.472 3.289 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000857851085 621122279 /nfs/dbraw/zinc/12/22/79/621122279.db2.gz GRVPABKUCSJNOR-MJGOQNOKSA-N 2 2 324.472 3.289 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CC[C@H]3CCC4(CCC4)O3)cc2)c[nH+]1 ZINC000922969951 621141533 /nfs/dbraw/zinc/14/15/33/621141533.db2.gz XQYNYYROBCVALG-GOSISDBHSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000858148604 621158953 /nfs/dbraw/zinc/15/89/53/621158953.db2.gz DNHZTZVEQNYACJ-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000858148604 621158955 /nfs/dbraw/zinc/15/89/55/621158955.db2.gz DNHZTZVEQNYACJ-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP O[C@@H](C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129721 621338238 /nfs/dbraw/zinc/33/82/38/621338238.db2.gz OGVWDJSGMZOLFP-MOPGFXCFSA-N 2 2 314.473 3.060 20 0 DGADLP O[C@@H](C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129721 621338242 /nfs/dbraw/zinc/33/82/42/621338242.db2.gz OGVWDJSGMZOLFP-MOPGFXCFSA-N 2 2 314.473 3.060 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000753664407 621458545 /nfs/dbraw/zinc/45/85/45/621458545.db2.gz JYAQZHNNGBEAHF-WBVHZDCISA-N 2 2 302.462 3.447 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000753664407 621458546 /nfs/dbraw/zinc/45/85/46/621458546.db2.gz JYAQZHNNGBEAHF-WBVHZDCISA-N 2 2 302.462 3.447 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000754120569 621489368 /nfs/dbraw/zinc/48/93/68/621489368.db2.gz IMHYTUHENAZKDY-RDJZCZTQSA-N 2 2 301.459 3.492 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000863653491 621694348 /nfs/dbraw/zinc/69/43/48/621694348.db2.gz LMVMAYKRLMHWGO-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000863653491 621694349 /nfs/dbraw/zinc/69/43/49/621694349.db2.gz LMVMAYKRLMHWGO-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP CCOc1cc(F)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000865548853 621949198 /nfs/dbraw/zinc/94/91/98/621949198.db2.gz INWPECLMJFEHMM-UHFFFAOYSA-N 2 2 306.425 3.331 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)c2)c[nH+]1 ZINC000865762036 621990491 /nfs/dbraw/zinc/99/04/91/621990491.db2.gz KIQZPRSYXVLVTR-PBHICJAKSA-N 2 2 317.458 3.229 20 0 DGADLP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000865765974 621992000 /nfs/dbraw/zinc/99/20/00/621992000.db2.gz VJGJIIJHNSVHBN-UHFFFAOYSA-N 3 2 312.461 3.225 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCC34CCOCC4)cc2)c[nH+]1 ZINC000865778439 621993796 /nfs/dbraw/zinc/99/37/96/621993796.db2.gz KFEURYIOUABPHK-QGZVFWFLSA-N 2 2 311.429 3.169 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866360664 622102427 /nfs/dbraw/zinc/10/24/27/622102427.db2.gz FZAARDVJERNMDU-UWVGGRQHSA-N 2 2 316.792 3.412 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866360663 622102524 /nfs/dbraw/zinc/10/25/24/622102524.db2.gz FZAARDVJERNMDU-NXEZZACHSA-N 2 2 316.792 3.412 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc2ccccc21 ZINC000866411316 622113704 /nfs/dbraw/zinc/11/37/04/622113704.db2.gz JDIIYMXBCDRTQH-WBVHZDCISA-N 2 2 312.457 3.336 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc2ccccc21 ZINC000866411316 622113707 /nfs/dbraw/zinc/11/37/07/622113707.db2.gz JDIIYMXBCDRTQH-WBVHZDCISA-N 2 2 312.457 3.336 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000866479674 622124883 /nfs/dbraw/zinc/12/48/83/622124883.db2.gz XNECFPFBFIPWID-KBAYOESNSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000866479674 622124885 /nfs/dbraw/zinc/12/48/85/622124885.db2.gz XNECFPFBFIPWID-KBAYOESNSA-N 2 2 319.518 3.167 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866705067 622158647 /nfs/dbraw/zinc/15/86/47/622158647.db2.gz SGSHFCAFNAHZSE-QGZVFWFLSA-N 2 2 303.406 3.132 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866705067 622158650 /nfs/dbraw/zinc/15/86/50/622158650.db2.gz SGSHFCAFNAHZSE-QGZVFWFLSA-N 2 2 303.406 3.132 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccnc1 ZINC000764615535 622207723 /nfs/dbraw/zinc/20/77/23/622207723.db2.gz JYZYDAKSJBGJEF-MRXNPFEDSA-N 2 2 324.472 3.467 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccnc1Cl ZINC000764884005 622229753 /nfs/dbraw/zinc/22/97/53/622229753.db2.gz HVEJEJIJAXWYFM-GFCCVEGCSA-N 2 2 304.825 3.161 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000765908086 622293715 /nfs/dbraw/zinc/29/37/15/622293715.db2.gz XLBXEENZMIXJAB-WMZOPIPTSA-N 2 2 304.478 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000765908086 622293717 /nfs/dbraw/zinc/29/37/17/622293717.db2.gz XLBXEENZMIXJAB-WMZOPIPTSA-N 2 2 304.478 3.480 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000765973161 622297434 /nfs/dbraw/zinc/29/74/34/622297434.db2.gz DEYQDMAZHNCJSW-ACJLOTCBSA-N 2 2 324.415 3.259 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000765977066 622298046 /nfs/dbraw/zinc/29/80/46/622298046.db2.gz PQZCNGVCWONITL-YOEHRIQHSA-N 2 2 306.450 3.136 20 0 DGADLP Cc1c(C[NH+]2CCC([NH+](C)C)CC2)sc2nc(C)nc(C)c12 ZINC000768530255 622462348 /nfs/dbraw/zinc/46/23/48/622462348.db2.gz ADGPCZWTAHPXTC-UHFFFAOYSA-N 2 2 318.490 3.143 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[NH2+]CC3CC3)c2)[nH+]c1C ZINC000870872266 622520825 /nfs/dbraw/zinc/52/08/25/622520825.db2.gz NYUMGIWOSSWCDS-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1F ZINC000872024315 622758297 /nfs/dbraw/zinc/75/82/97/622758297.db2.gz QBASVROYINYKOD-SWLSCSKDSA-N 2 2 305.397 3.493 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872108912 622810972 /nfs/dbraw/zinc/81/09/72/622810972.db2.gz DUPLZRDZPVFQDG-QNDJGXFYSA-N 2 2 311.429 3.481 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000872121981 622819377 /nfs/dbraw/zinc/81/93/77/622819377.db2.gz INONGVGSXSZNKR-DZGCQCFKSA-N 2 2 316.474 3.025 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000872121981 622819387 /nfs/dbraw/zinc/81/93/87/622819387.db2.gz INONGVGSXSZNKR-DZGCQCFKSA-N 2 2 316.474 3.025 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000872121983 622820104 /nfs/dbraw/zinc/82/01/04/622820104.db2.gz INONGVGSXSZNKR-HIFRSBDPSA-N 2 2 316.474 3.025 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000872121983 622820112 /nfs/dbraw/zinc/82/01/12/622820112.db2.gz INONGVGSXSZNKR-HIFRSBDPSA-N 2 2 316.474 3.025 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000872132243 622824887 /nfs/dbraw/zinc/82/48/87/622824887.db2.gz DCOKPPLPWPVFIQ-UWWQBHOKSA-N 2 2 316.493 3.479 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000872132245 622825491 /nfs/dbraw/zinc/82/54/91/622825491.db2.gz DCOKPPLPWPVFIQ-ZVZYQTTQSA-N 2 2 316.493 3.479 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc3ncccc23)s1 ZINC000873172579 623059907 /nfs/dbraw/zinc/05/99/07/623059907.db2.gz AUHAOSOHSPXLTC-UHFFFAOYSA-N 2 2 312.442 3.043 20 0 DGADLP Clc1cc2cccnc2c(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230925 623083503 /nfs/dbraw/zinc/08/35/03/623083503.db2.gz ZWJPYBVBSVDMDJ-RDJZCZTQSA-N 2 2 301.821 3.262 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccc(F)cc12 ZINC000873248601 623090131 /nfs/dbraw/zinc/09/01/31/623090131.db2.gz GZPCIJWMULNJBN-TZMCWYRMSA-N 2 2 305.397 3.367 20 0 DGADLP FC(F)(F)c1cc(Cl)nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873282642 623102767 /nfs/dbraw/zinc/10/27/67/623102767.db2.gz JZYNPDDLBPGTHS-ZACCUICWSA-N 2 2 319.758 3.126 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439784 623275180 /nfs/dbraw/zinc/27/51/80/623275180.db2.gz WTXDDESZZJIQLU-VQIMIIECSA-N 2 2 302.462 3.086 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439784 623275184 /nfs/dbraw/zinc/27/51/84/623275184.db2.gz WTXDDESZZJIQLU-VQIMIIECSA-N 2 2 302.462 3.086 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc3c(F)cccc3c2)CC1 ZINC000876560596 623644570 /nfs/dbraw/zinc/64/45/70/623644570.db2.gz HPSRAPSQQNQGNJ-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc3c(F)cccc3c2)CC1 ZINC000876560596 623644571 /nfs/dbraw/zinc/64/45/71/623644571.db2.gz HPSRAPSQQNQGNJ-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812263 623713342 /nfs/dbraw/zinc/71/33/42/623713342.db2.gz KIGALYXLBTZGLV-NHYWBVRUSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812263 623713344 /nfs/dbraw/zinc/71/33/44/623713344.db2.gz KIGALYXLBTZGLV-NHYWBVRUSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812263 623713348 /nfs/dbraw/zinc/71/33/48/623713348.db2.gz KIGALYXLBTZGLV-NHYWBVRUSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812263 623713352 /nfs/dbraw/zinc/71/33/52/623713352.db2.gz KIGALYXLBTZGLV-NHYWBVRUSA-N 2 2 314.260 3.305 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000876934134 623748306 /nfs/dbraw/zinc/74/83/06/623748306.db2.gz BRBWASMVSAVKOX-GUDVDZBRSA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000876934134 623748313 /nfs/dbraw/zinc/74/83/13/623748313.db2.gz BRBWASMVSAVKOX-GUDVDZBRSA-N 2 2 302.462 3.369 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ncc(C)c(OC)c2C)CC1 ZINC000876977312 623758888 /nfs/dbraw/zinc/75/88/88/623758888.db2.gz XWULBSMRFSZQJV-UHFFFAOYSA-N 2 2 305.466 3.061 20 0 DGADLP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000779508817 623776007 /nfs/dbraw/zinc/77/60/07/623776007.db2.gz BOGVLCHJYQJHBV-ZLPCBKJTSA-N 3 2 312.461 3.396 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](CCC(C)(C)SC)CC1 ZINC000877657777 623980539 /nfs/dbraw/zinc/98/05/39/623980539.db2.gz IHQOQKAKLLELCG-UHFFFAOYSA-N 2 2 314.539 3.095 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741339 624013443 /nfs/dbraw/zinc/01/34/43/624013443.db2.gz APNQTVSARLIKLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741339 624013445 /nfs/dbraw/zinc/01/34/45/624013445.db2.gz APNQTVSARLIKLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741339 624013448 /nfs/dbraw/zinc/01/34/48/624013448.db2.gz APNQTVSARLIKLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741339 624013451 /nfs/dbraw/zinc/01/34/51/624013451.db2.gz APNQTVSARLIKLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000877794733 624036435 /nfs/dbraw/zinc/03/64/35/624036435.db2.gz RRTFEWNHYPNCLV-UHFFFAOYSA-N 2 2 302.462 3.019 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1Br ZINC000878319187 624244436 /nfs/dbraw/zinc/24/44/36/624244436.db2.gz MDDAYJGCJDFOTG-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1Br ZINC000878319187 624244437 /nfs/dbraw/zinc/24/44/37/624244437.db2.gz MDDAYJGCJDFOTG-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878522234 624297972 /nfs/dbraw/zinc/29/79/72/624297972.db2.gz LIOOJFWOLTYPEF-KRWDZBQOSA-N 2 2 316.445 3.192 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@@H]1C ZINC000783278005 624334664 /nfs/dbraw/zinc/33/46/64/624334664.db2.gz WDHRGGAPYNEFSE-HOCLYGCPSA-N 2 2 303.450 3.048 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@H]1C ZINC000783278006 624334677 /nfs/dbraw/zinc/33/46/77/624334677.db2.gz WDHRGGAPYNEFSE-ZBFHGGJFSA-N 2 2 303.450 3.048 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CC2(Br)CC2)CC1 ZINC000879208628 624451641 /nfs/dbraw/zinc/45/16/41/624451641.db2.gz BZERUUGJNDPZGV-UHFFFAOYSA-N 2 2 315.299 3.254 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1C ZINC000880130199 624799859 /nfs/dbraw/zinc/79/98/59/624799859.db2.gz DVKXSAKEWXMYBC-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1C ZINC000880130199 624799861 /nfs/dbraw/zinc/79/98/61/624799861.db2.gz DVKXSAKEWXMYBC-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1C ZINC000880130199 624799864 /nfs/dbraw/zinc/79/98/64/624799864.db2.gz DVKXSAKEWXMYBC-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1C ZINC000880130199 624799866 /nfs/dbraw/zinc/79/98/66/624799866.db2.gz DVKXSAKEWXMYBC-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880133407 624802592 /nfs/dbraw/zinc/80/25/92/624802592.db2.gz TXSDSLLHMHKFCX-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880133407 624802595 /nfs/dbraw/zinc/80/25/95/624802595.db2.gz TXSDSLLHMHKFCX-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133407 624802599 /nfs/dbraw/zinc/80/25/99/624802599.db2.gz TXSDSLLHMHKFCX-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133407 624802601 /nfs/dbraw/zinc/80/26/01/624802601.db2.gz TXSDSLLHMHKFCX-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209005 624842365 /nfs/dbraw/zinc/84/23/65/624842365.db2.gz XQRYOMUPBYJGEG-FUHWJXTLSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209005 624842371 /nfs/dbraw/zinc/84/23/71/624842371.db2.gz XQRYOMUPBYJGEG-FUHWJXTLSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208402 624842540 /nfs/dbraw/zinc/84/25/40/624842540.db2.gz RMXOKPBTFHSVLV-HXUWFJFHSA-N 2 2 316.489 3.161 20 0 DGADLP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208402 624842547 /nfs/dbraw/zinc/84/25/47/624842547.db2.gz RMXOKPBTFHSVLV-HXUWFJFHSA-N 2 2 316.489 3.161 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208517 624842733 /nfs/dbraw/zinc/84/27/33/624842733.db2.gz IDWTZBPQVSKBBU-LPHOPBHVSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208517 624842738 /nfs/dbraw/zinc/84/27/38/624842738.db2.gz IDWTZBPQVSKBBU-LPHOPBHVSA-N 2 2 302.462 3.023 20 0 DGADLP CC(C)(C)n1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000880568799 624979372 /nfs/dbraw/zinc/97/93/72/624979372.db2.gz CZTCAQCHMGIADU-SFHVURJKSA-N 2 2 323.444 3.366 20 0 DGADLP Clc1ccc2c(n1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000788429939 625168920 /nfs/dbraw/zinc/16/89/20/625168920.db2.gz LVNLEFUUXKEHST-AWEZNQCLSA-N 2 2 316.836 3.087 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612745 625229538 /nfs/dbraw/zinc/22/95/38/625229538.db2.gz VGJFCJRYXHVXBA-YJBOKZPZSA-N 2 2 311.429 3.102 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612745 625229540 /nfs/dbraw/zinc/22/95/40/625229540.db2.gz VGJFCJRYXHVXBA-YJBOKZPZSA-N 2 2 311.429 3.102 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000788613196 625229711 /nfs/dbraw/zinc/22/97/11/625229711.db2.gz OKLITSJMOXEQKD-OAHLLOKOSA-N 2 2 319.493 3.125 20 0 DGADLP CSc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000882905865 625852516 /nfs/dbraw/zinc/85/25/16/625852516.db2.gz WWJCBMDMXNPGIR-UHFFFAOYSA-N 2 2 314.414 3.180 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1CCOC2 ZINC000882910343 625854793 /nfs/dbraw/zinc/85/47/93/625854793.db2.gz QIEVGBPVLTWBEY-GOSISDBHSA-N 2 2 313.445 3.160 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000882934915 625865336 /nfs/dbraw/zinc/86/53/36/625865336.db2.gz YAVNBXUXKUDVIS-CQSZACIVSA-N 2 2 315.461 3.381 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2ccc([NH+]3CCCC3)cc2)s1 ZINC000796272169 626034373 /nfs/dbraw/zinc/03/43/73/626034373.db2.gz CUIKVMNKONTLHM-UHFFFAOYSA-N 2 2 316.474 3.417 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000796287381 626035544 /nfs/dbraw/zinc/03/55/44/626035544.db2.gz JUVASIYLUFBWRI-INIZCTEOSA-N 2 2 301.459 3.290 20 0 DGADLP Cc1ccccc1[C@@H](O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000796430267 626049352 /nfs/dbraw/zinc/04/93/52/626049352.db2.gz MTOQSGAXKXMUCD-IBGZPJMESA-N 2 2 313.445 3.027 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000796780373 626081702 /nfs/dbraw/zinc/08/17/02/626081702.db2.gz IOTRTROALVFXPZ-AEFFLSMTSA-N 2 2 321.428 3.094 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592721 626157051 /nfs/dbraw/zinc/15/70/51/626157051.db2.gz AJQZLVUIYBRXGL-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592721 626157053 /nfs/dbraw/zinc/15/70/53/626157053.db2.gz AJQZLVUIYBRXGL-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592721 626157056 /nfs/dbraw/zinc/15/70/56/626157056.db2.gz AJQZLVUIYBRXGL-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592721 626157060 /nfs/dbraw/zinc/15/70/60/626157060.db2.gz AJQZLVUIYBRXGL-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000798928443 626260246 /nfs/dbraw/zinc/26/02/46/626260246.db2.gz AOQJFJOYDUDSMJ-KZNAEPCWSA-N 2 2 301.478 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000798928443 626260249 /nfs/dbraw/zinc/26/02/49/626260249.db2.gz AOQJFJOYDUDSMJ-KZNAEPCWSA-N 2 2 301.478 3.490 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000800243834 626344506 /nfs/dbraw/zinc/34/45/06/626344506.db2.gz BFBAONKCAOMTLM-WBVHZDCISA-N 2 2 301.434 3.107 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000883261319 626627578 /nfs/dbraw/zinc/62/75/78/626627578.db2.gz YJSIOKLXZZLZRG-SUMDDJOVSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000883261319 626627580 /nfs/dbraw/zinc/62/75/80/626627580.db2.gz YJSIOKLXZZLZRG-SUMDDJOVSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387251 626668625 /nfs/dbraw/zinc/66/86/25/626668625.db2.gz UPMPMZMZYDKWGX-APWZRJJASA-N 2 2 313.445 3.419 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386756 626668868 /nfs/dbraw/zinc/66/88/68/626668868.db2.gz MINCYXNLKIHMHL-QAPCUYQASA-N 2 2 309.417 3.192 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C12CCC2 ZINC000883388612 626670047 /nfs/dbraw/zinc/67/00/47/626670047.db2.gz YTDRYEGIIZXIIN-KZNAEPCWSA-N 2 2 311.429 3.172 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883397772 626672619 /nfs/dbraw/zinc/67/26/19/626672619.db2.gz VILABXNXNMAVGY-QRQLOZEOSA-N 2 2 313.445 3.419 20 0 DGADLP Cc1ccncc1CCC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000809608152 626925265 /nfs/dbraw/zinc/92/52/65/626925265.db2.gz IVJIIXHJZXJXQV-KRWDZBQOSA-N 2 2 300.450 3.224 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886668471 627184857 /nfs/dbraw/zinc/18/48/57/627184857.db2.gz UCXSXFBTLNYBAY-UHFFFAOYSA-N 2 2 321.856 3.101 20 0 DGADLP C[C@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000886693450 627192275 /nfs/dbraw/zinc/19/22/75/627192275.db2.gz BCKOROQOFKUMFU-MCHXDPIISA-N 2 2 313.489 3.174 20 0 DGADLP C[C@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000886693450 627192278 /nfs/dbraw/zinc/19/22/78/627192278.db2.gz BCKOROQOFKUMFU-MCHXDPIISA-N 2 2 313.489 3.174 20 0 DGADLP C[C@@H]1C[C@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000886693451 627192336 /nfs/dbraw/zinc/19/23/36/627192336.db2.gz BCKOROQOFKUMFU-URTLRTLISA-N 2 2 313.489 3.174 20 0 DGADLP C[C@@H]1C[C@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000886693451 627192337 /nfs/dbraw/zinc/19/23/37/627192337.db2.gz BCKOROQOFKUMFU-URTLRTLISA-N 2 2 313.489 3.174 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000886716305 627197042 /nfs/dbraw/zinc/19/70/42/627197042.db2.gz UWSMJZNCVINBSR-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000886872144 627211685 /nfs/dbraw/zinc/21/16/85/627211685.db2.gz KJWYXLALZTUOIP-IBGZPJMESA-N 2 2 311.429 3.307 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000886872144 627211686 /nfs/dbraw/zinc/21/16/86/627211686.db2.gz KJWYXLALZTUOIP-IBGZPJMESA-N 2 2 311.429 3.307 20 0 DGADLP OC1(C[C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)CCCCC1 ZINC000887035630 627218889 /nfs/dbraw/zinc/21/88/89/627218889.db2.gz SVYKIYVIDPEWDR-KRWDZBQOSA-N 2 2 305.466 3.213 20 0 DGADLP OC1(C[C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)CCCCC1 ZINC000887035630 627218891 /nfs/dbraw/zinc/21/88/91/627218891.db2.gz SVYKIYVIDPEWDR-KRWDZBQOSA-N 2 2 305.466 3.213 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000813858427 627516936 /nfs/dbraw/zinc/51/69/36/627516936.db2.gz ZNGWCCQJZCUXMQ-JTDSTZFVSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000813858427 627516941 /nfs/dbraw/zinc/51/69/41/627516941.db2.gz ZNGWCCQJZCUXMQ-JTDSTZFVSA-N 2 2 320.452 3.367 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000815069332 627622279 /nfs/dbraw/zinc/62/22/79/627622279.db2.gz FAWSUGFFLIKHIU-LPHOPBHVSA-N 2 2 321.424 3.476 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000815069332 627622281 /nfs/dbraw/zinc/62/22/81/627622281.db2.gz FAWSUGFFLIKHIU-LPHOPBHVSA-N 2 2 321.424 3.476 20 0 DGADLP Cc1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)c1 ZINC000924532098 627645969 /nfs/dbraw/zinc/64/59/69/627645969.db2.gz ANHBGLQVGRREBB-IBGZPJMESA-N 2 2 306.413 3.356 20 0 DGADLP Clc1ccnc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924644849 627662003 /nfs/dbraw/zinc/66/20/03/627662003.db2.gz AKZRHWUWTZFUKY-HNNXBMFYSA-N 2 2 316.836 3.087 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576795 627686370 /nfs/dbraw/zinc/68/63/70/627686370.db2.gz YOLRWMTZDUUVPG-ZOCIIQOWSA-N 2 2 300.446 3.078 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576795 627686373 /nfs/dbraw/zinc/68/63/73/627686373.db2.gz YOLRWMTZDUUVPG-ZOCIIQOWSA-N 2 2 300.446 3.078 20 0 DGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)[N@H+](C)C1CC1 ZINC000924968504 627698927 /nfs/dbraw/zinc/69/89/27/627698927.db2.gz ZMSLWCQNHCNPMC-FXAWDEMLSA-N 2 2 323.484 3.308 20 0 DGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)[N@@H+](C)C1CC1 ZINC000924968504 627698929 /nfs/dbraw/zinc/69/89/29/627698929.db2.gz ZMSLWCQNHCNPMC-FXAWDEMLSA-N 2 2 323.484 3.308 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nc21 ZINC000925184375 627716288 /nfs/dbraw/zinc/71/62/88/627716288.db2.gz BUBAXSAMAACHQE-CVEARBPZSA-N 2 2 313.445 3.285 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)nc21 ZINC000925184375 627716291 /nfs/dbraw/zinc/71/62/91/627716291.db2.gz BUBAXSAMAACHQE-CVEARBPZSA-N 2 2 313.445 3.285 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccnn2CC2CCC2)CC1 ZINC000925303638 627729065 /nfs/dbraw/zinc/72/90/65/627729065.db2.gz PDQHJSXEKNYTJV-OAHLLOKOSA-N 2 2 304.482 3.207 20 0 DGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925516867 627745714 /nfs/dbraw/zinc/74/57/14/627745714.db2.gz TVBVCYVAZWQGPT-KRWDZBQOSA-N 2 2 315.461 3.045 20 0 DGADLP Cc1nc2ccccc2n1CC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925521791 627746149 /nfs/dbraw/zinc/74/61/49/627746149.db2.gz WNPIBNAUAQIEFE-KUHUBIRLSA-N 2 2 308.429 3.023 20 0 DGADLP COc1ccc(O[C@H](C)C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000925524755 627747109 /nfs/dbraw/zinc/74/71/09/627747109.db2.gz ZCMJLIHHQTZEKH-SPYBWZPUSA-N 2 2 314.429 3.141 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551589 627752869 /nfs/dbraw/zinc/75/28/69/627752869.db2.gz BWKKHELANWMHJK-ZIFCJYIRSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551589 627752872 /nfs/dbraw/zinc/75/28/72/627752872.db2.gz BWKKHELANWMHJK-ZIFCJYIRSA-N 3 2 303.494 3.177 20 0 DGADLP Cc1ccc(-c2nc(CC[NH2+][C@H]3CC[NH2+]C34CCC4)co2)cc1 ZINC000925558884 627754330 /nfs/dbraw/zinc/75/43/30/627754330.db2.gz SCCUSWVKEHWYRJ-KRWDZBQOSA-N 2 2 311.429 3.067 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925579210 627757962 /nfs/dbraw/zinc/75/79/62/627757962.db2.gz DCHIYYCRDCWTHO-CMPLNLGQSA-N 2 2 309.866 3.222 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccco1 ZINC000925615660 627762709 /nfs/dbraw/zinc/76/27/09/627762709.db2.gz HJIFQQRMIAWKIC-FZCLSBEQSA-N 2 2 319.493 3.029 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000925632115 627765693 /nfs/dbraw/zinc/76/56/93/627765693.db2.gz ZZOFOBHIVGOAQC-YMRXKLBXSA-N 2 2 322.811 3.191 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925640552 627767706 /nfs/dbraw/zinc/76/77/06/627767706.db2.gz SFEMJNRYZLWKFX-RYGJVYDSSA-N 2 2 310.441 3.117 20 0 DGADLP CC1(C)[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642684 627768278 /nfs/dbraw/zinc/76/82/78/627768278.db2.gz AUNHJEWYHYYOPE-QCPWZWHMSA-N 2 2 304.409 3.016 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925648306 627769648 /nfs/dbraw/zinc/76/96/48/627769648.db2.gz SSBFFKBKYNUUBV-YAGHHFDGSA-N 2 2 320.864 3.002 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nccn1-c1ccccc1 ZINC000925673308 627774558 /nfs/dbraw/zinc/77/45/58/627774558.db2.gz MVSXWXNAOWSCEK-XOYOTBSWSA-N 2 2 324.472 3.300 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000925703688 627778805 /nfs/dbraw/zinc/77/88/05/627778805.db2.gz DUCRPNUURNYHIF-HXUWFJFHSA-N 2 2 323.440 3.031 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000925703688 627778810 /nfs/dbraw/zinc/77/88/10/627778810.db2.gz DUCRPNUURNYHIF-HXUWFJFHSA-N 2 2 323.440 3.031 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1 ZINC000925710661 627779609 /nfs/dbraw/zinc/77/96/09/627779609.db2.gz QLVVCYNZEAEIOY-TTYHFUOFSA-N 2 2 310.441 3.237 20 0 DGADLP CC(C)([NH3+])CC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000925736844 627785044 /nfs/dbraw/zinc/78/50/44/627785044.db2.gz DAKBVJWHPXYRRD-MRXNPFEDSA-N 2 2 305.372 3.166 20 0 DGADLP [NH3+][C@@H]1C[C@H](N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000925770284 627791968 /nfs/dbraw/zinc/79/19/68/627791968.db2.gz IUAFNNHDCOHNPQ-AABGKKOBSA-N 2 2 318.424 3.359 20 0 DGADLP CCC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccsc1 ZINC000925790495 627795697 /nfs/dbraw/zinc/79/56/97/627795697.db2.gz HDFWCWDWCJVQQW-CVEARBPZSA-N 2 2 308.491 3.338 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2sccc21 ZINC000925794909 627796249 /nfs/dbraw/zinc/79/62/49/627796249.db2.gz WFVBIEZNJYAWCN-FMKPAKJESA-N 2 2 320.502 3.435 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792640 627796283 /nfs/dbraw/zinc/79/62/83/627796283.db2.gz GQGFJOMJDQRDMN-QZTJIDSGSA-N 2 2 316.489 3.421 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C)c1 ZINC000925792728 627796548 /nfs/dbraw/zinc/79/65/48/627796548.db2.gz PRCFLBHJJSXYHD-ZWKOTPCHSA-N 2 2 302.462 3.194 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794665 627796658 /nfs/dbraw/zinc/79/66/58/627796658.db2.gz HSOLGZKIDXRGRK-YJBOKZPZSA-N 2 2 314.473 3.157 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925794724 627796814 /nfs/dbraw/zinc/79/68/14/627796814.db2.gz IOVJRHATDKNFJV-MSOLQXFVSA-N 2 2 318.436 3.025 20 0 DGADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925814823 627798872 /nfs/dbraw/zinc/79/88/72/627798872.db2.gz QRWYYUYYJRXYHE-ZBFHGGJFSA-N 2 2 313.470 3.215 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1 ZINC000925831765 627801477 /nfs/dbraw/zinc/80/14/77/627801477.db2.gz URPVMGWERBWBBL-MHEUCROKSA-N 2 2 316.367 3.165 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224489 627865093 /nfs/dbraw/zinc/86/50/93/627865093.db2.gz QKPKWEFFFKJQKB-APWZRJJASA-N 2 2 310.445 3.182 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224489 627865095 /nfs/dbraw/zinc/86/50/95/627865095.db2.gz QKPKWEFFFKJQKB-APWZRJJASA-N 2 2 310.445 3.182 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926228326 627866660 /nfs/dbraw/zinc/86/66/60/627866660.db2.gz GQGFLMBRTZPYJE-QUCCMNQESA-N 2 2 318.424 3.281 20 0 DGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(C2CCC2)c1 ZINC000926338007 627881514 /nfs/dbraw/zinc/88/15/14/627881514.db2.gz VDWFCGZOPSUOSI-MXWWQKGMSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(-c2ccccc2)no1 ZINC000926450773 627897775 /nfs/dbraw/zinc/89/77/75/627897775.db2.gz QVOQVIZHISXTIP-JSGCOSHPSA-N 2 2 308.385 3.273 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926451254 627898368 /nfs/dbraw/zinc/89/83/68/627898368.db2.gz YUIMMPCKVBTGCN-PXNSSMCTSA-N 2 2 318.424 3.350 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000926450489 627898398 /nfs/dbraw/zinc/89/83/98/627898398.db2.gz NLDYLLAGNPAZJD-OXJNMPFZSA-N 2 2 318.424 3.350 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000926581987 627917937 /nfs/dbraw/zinc/91/79/37/627917937.db2.gz UTICSMQQSVZPLC-IWEFOYFVSA-N 2 2 314.433 3.030 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000926581987 627917938 /nfs/dbraw/zinc/91/79/38/627917938.db2.gz UTICSMQQSVZPLC-IWEFOYFVSA-N 2 2 314.433 3.030 20 0 DGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746749 627945846 /nfs/dbraw/zinc/94/58/46/627945846.db2.gz UAIHDUYMOKGHST-WDSOQIARSA-N 2 2 308.510 3.314 20 0 DGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746749 627945847 /nfs/dbraw/zinc/94/58/47/627945847.db2.gz UAIHDUYMOKGHST-WDSOQIARSA-N 2 2 308.510 3.314 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817892986 627953628 /nfs/dbraw/zinc/95/36/28/627953628.db2.gz XGFVGSNHTZPOLE-KBPBESRZSA-N 2 2 315.230 3.338 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000817893261 627954453 /nfs/dbraw/zinc/95/44/53/627954453.db2.gz FUDBSBWLYNDKKK-COLVAYQJSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000817893284 627954593 /nfs/dbraw/zinc/95/45/93/627954593.db2.gz FUDBSBWLYNDKKK-VQISRLSMSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000817955217 627974203 /nfs/dbraw/zinc/97/42/03/627974203.db2.gz SUEMPKFJKBOJFJ-DNVCBOLYSA-N 2 2 323.440 3.164 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000817962701 627976998 /nfs/dbraw/zinc/97/69/98/627976998.db2.gz NLCJTQYBXRWYHS-JQWIXIFHSA-N 2 2 300.244 3.012 20 0 DGADLP CC[C@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959248 627989871 /nfs/dbraw/zinc/98/98/71/627989871.db2.gz QVNCHALJELOYRR-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959248 627989875 /nfs/dbraw/zinc/98/98/75/627989875.db2.gz QVNCHALJELOYRR-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927103989 628015725 /nfs/dbraw/zinc/01/57/25/628015725.db2.gz IETHHACORHAUTC-TVPLGVNVSA-N 2 2 314.473 3.084 20 0 DGADLP Cc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927103989 628015726 /nfs/dbraw/zinc/01/57/26/628015726.db2.gz IETHHACORHAUTC-TVPLGVNVSA-N 2 2 314.473 3.084 20 0 DGADLP Cc1ccccc1[C@@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000818952139 628066016 /nfs/dbraw/zinc/06/60/16/628066016.db2.gz FOOIAGOAZFINDJ-FQEVSTJZSA-N 2 2 321.424 3.063 20 0 DGADLP OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000820809169 628299231 /nfs/dbraw/zinc/29/92/31/628299231.db2.gz VVAJKOAODYYSKD-AEFFLSMTSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000823943896 628612397 /nfs/dbraw/zinc/61/23/97/628612397.db2.gz QGBQMWLFBVFBQO-FVQBIDKESA-N 2 2 301.459 3.045 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000824028167 628619925 /nfs/dbraw/zinc/61/99/25/628619925.db2.gz ZNLAWUHZPJHILM-CYBMUJFWSA-N 2 2 313.848 3.332 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000824028167 628619928 /nfs/dbraw/zinc/61/99/28/628619928.db2.gz ZNLAWUHZPJHILM-CYBMUJFWSA-N 2 2 313.848 3.332 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000826795837 628888367 /nfs/dbraw/zinc/88/83/67/628888367.db2.gz DWUNMGMNKUEPBF-OTBHMBEGSA-N 2 2 316.489 3.302 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000826795837 628888372 /nfs/dbraw/zinc/88/83/72/628888372.db2.gz DWUNMGMNKUEPBF-OTBHMBEGSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]([NH3+])CC(C)C)c2)[nH+]c1C ZINC000827599137 628975311 /nfs/dbraw/zinc/97/53/11/628975311.db2.gz FKFOIECXSRNTQZ-OAHLLOKOSA-N 2 2 300.406 3.005 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[NH2+]C(C)(C)C)cc2)[nH+]c1C ZINC000829386529 629154913 /nfs/dbraw/zinc/15/49/13/629154913.db2.gz BZNHSXPJKFUMLE-UHFFFAOYSA-N 2 2 314.433 3.410 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000831982071 629433544 /nfs/dbraw/zinc/43/35/44/629433544.db2.gz RWPWPFZXIOBEAM-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000831982071 629433548 /nfs/dbraw/zinc/43/35/48/629433548.db2.gz RWPWPFZXIOBEAM-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP CCc1nc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)co1 ZINC000834900032 629802834 /nfs/dbraw/zinc/80/28/34/629802834.db2.gz LYDAKYAVWQRKHX-AWEZNQCLSA-N 2 2 317.433 3.028 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000842476914 630540082 /nfs/dbraw/zinc/54/00/82/630540082.db2.gz WTYJDGHVHIZPIM-OAHLLOKOSA-N 2 2 303.837 3.366 20 0 DGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000843355549 630649257 /nfs/dbraw/zinc/64/92/57/630649257.db2.gz GMRLPBGGCVWJIC-HXUWFJFHSA-N 2 2 323.440 3.009 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@H](C)CC[NH2+]3)c2)[nH+]c1C ZINC000844176525 630711532 /nfs/dbraw/zinc/71/15/32/630711532.db2.gz SVBLXYZZCIXYBH-BDJLRTHQSA-N 2 2 312.417 3.020 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1Cl ZINC000844903472 630972728 /nfs/dbraw/zinc/97/27/28/630972728.db2.gz ZZTSINHMRMRUEG-YOEHRIQHSA-N 2 2 324.900 3.206 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1Cl ZINC000844903472 630972730 /nfs/dbraw/zinc/97/27/30/630972730.db2.gz ZZTSINHMRMRUEG-YOEHRIQHSA-N 2 2 324.900 3.206 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccn1 ZINC000848520738 631675265 /nfs/dbraw/zinc/67/52/65/631675265.db2.gz KEXSPYVRZJBIHD-UKRRQHHQSA-N 2 2 302.422 3.052 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000848526448 631678020 /nfs/dbraw/zinc/67/80/20/631678020.db2.gz XRLGCOGBWFBDPQ-SFHVURJKSA-N 2 2 316.493 3.352 20 0 DGADLP Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[NH+](C)C ZINC000848542543 631686156 /nfs/dbraw/zinc/68/61/56/631686156.db2.gz KRLVFXDKBWVKQE-SFHVURJKSA-N 2 2 317.477 3.116 20 0 DGADLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCC1)c1ccc(Cl)cc1 ZINC000849091542 631832282 /nfs/dbraw/zinc/83/22/82/631832282.db2.gz OHUIORVEMQMJAU-MRXNPFEDSA-N 2 2 322.884 3.389 20 0 DGADLP CSc1ccc([C@@H](CNC(=[NH2+])NC2CCCC2)[NH+](C)C)cc1 ZINC000849110396 631837945 /nfs/dbraw/zinc/83/79/45/631837945.db2.gz WCBNDTJEZDWEPB-MRXNPFEDSA-N 2 2 320.506 3.068 20 0 DGADLP Cc1[nH]c(CNc2ccc(OCC[NH+](C)C)c(Cl)c2)[nH+]c1C ZINC000850208047 632080529 /nfs/dbraw/zinc/08/05/29/632080529.db2.gz DAKUJYQRCZLNAG-UHFFFAOYSA-N 2 2 322.840 3.232 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851865410 632511640 /nfs/dbraw/zinc/51/16/40/632511640.db2.gz DAYGONVZPBDWEI-QGZVFWFLSA-N 2 2 320.477 3.028 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000851865410 632511643 /nfs/dbraw/zinc/51/16/43/632511643.db2.gz DAYGONVZPBDWEI-QGZVFWFLSA-N 2 2 320.477 3.028 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355459 660720715 /nfs/dbraw/zinc/72/07/15/660720715.db2.gz BPMIXRUXWURQNP-RDJZCZTQSA-N 2 2 322.880 3.027 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355459 660720717 /nfs/dbraw/zinc/72/07/17/660720717.db2.gz BPMIXRUXWURQNP-RDJZCZTQSA-N 2 2 322.880 3.027 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccc(Cl)cn1)Cc1ccccc1 ZINC000703879499 660794835 /nfs/dbraw/zinc/79/48/35/660794835.db2.gz QDZJFBMNPZSSAS-UHFFFAOYSA-N 2 2 303.837 3.347 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccc(Cl)cn1)Cc1ccccc1 ZINC000703879499 660794836 /nfs/dbraw/zinc/79/48/36/660794836.db2.gz QDZJFBMNPZSSAS-UHFFFAOYSA-N 2 2 303.837 3.347 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000708522375 660924081 /nfs/dbraw/zinc/92/40/81/660924081.db2.gz VXZFJFFTVXXDLM-YOEHRIQHSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000708522375 660924082 /nfs/dbraw/zinc/92/40/82/660924082.db2.gz VXZFJFFTVXXDLM-YOEHRIQHSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1ccc(CCC[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000792860557 660989366 /nfs/dbraw/zinc/98/93/66/660989366.db2.gz XFHKFVVLSIRALM-UHFFFAOYSA-N 2 2 324.472 3.187 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2F)CC[N@@H+]1Cc1ccccc1 ZINC000793289229 661021684 /nfs/dbraw/zinc/02/16/84/661021684.db2.gz LJRANYNHTYKUKI-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2F)CC[N@H+]1Cc1ccccc1 ZINC000793289229 661021686 /nfs/dbraw/zinc/02/16/86/661021686.db2.gz LJRANYNHTYKUKI-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000793530484 661042067 /nfs/dbraw/zinc/04/20/67/661042067.db2.gz ATPXJNDJHHFFOR-OSGQAZFXSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000793530484 661042070 /nfs/dbraw/zinc/04/20/70/661042070.db2.gz ATPXJNDJHHFFOR-OSGQAZFXSA-N 2 2 302.462 3.261 20 0 DGADLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CCCC1)c1ccsc1 ZINC000066243001 655543933 /nfs/dbraw/zinc/54/39/33/655543933.db2.gz BBMJGBLSXAFGHA-OAHLLOKOSA-N 2 2 308.495 3.188 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000248827274 655555954 /nfs/dbraw/zinc/55/59/54/655555954.db2.gz GOQQRAKUANKNOM-RTBURBONSA-N 2 2 300.446 3.179 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000248827274 655555956 /nfs/dbraw/zinc/55/59/56/655555956.db2.gz GOQQRAKUANKNOM-RTBURBONSA-N 2 2 300.446 3.179 20 0 DGADLP Cc1cc(C)cc(NC(=[NH2+])NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000083052807 655575387 /nfs/dbraw/zinc/57/53/87/655575387.db2.gz MDDQJPFESCHFCD-UHFFFAOYSA-N 2 2 321.428 3.229 20 0 DGADLP Cc1cc(C)c(C(=O)NC2CCC([NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC001026531579 656166195 /nfs/dbraw/zinc/16/61/95/656166195.db2.gz PLMYWOSQGAWHBS-UHFFFAOYSA-N 2 2 303.450 3.046 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000931470997 656291781 /nfs/dbraw/zinc/29/17/81/656291781.db2.gz JFDWVTYIFDAWOU-ZIAGYGMSSA-N 2 2 322.415 3.293 20 0 DGADLP CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237331 656657297 /nfs/dbraw/zinc/65/72/97/656657297.db2.gz YOVBYFVVYOZFIR-JKSUJKDBSA-N 2 2 303.450 3.047 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000261841317 657130524 /nfs/dbraw/zinc/13/05/24/657130524.db2.gz ISGDIOLLYDKCAN-GESALYCCSA-N 2 2 309.413 3.440 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC001050347480 657291526 /nfs/dbraw/zinc/29/15/26/657291526.db2.gz KVCVNVXOSXLDRY-QAQDUYKDSA-N 2 2 317.477 3.293 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228288 658101789 /nfs/dbraw/zinc/10/17/89/658101789.db2.gz RLYQLXCZARWYPM-KFKAGJAMSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228288 658101796 /nfs/dbraw/zinc/10/17/96/658101796.db2.gz RLYQLXCZARWYPM-KFKAGJAMSA-N 2 2 316.489 3.498 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157671829 659082024 /nfs/dbraw/zinc/08/20/24/659082024.db2.gz ZAWWTMLVISXWTA-MSOLQXFVSA-N 2 2 300.446 3.147 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157671829 659082029 /nfs/dbraw/zinc/08/20/29/659082029.db2.gz ZAWWTMLVISXWTA-MSOLQXFVSA-N 2 2 300.446 3.147 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000089516418 659696167 /nfs/dbraw/zinc/69/61/67/659696167.db2.gz IUCCZAZVHIDOMI-WBVHZDCISA-N 2 2 321.534 3.413 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000089516418 659696171 /nfs/dbraw/zinc/69/61/71/659696171.db2.gz IUCCZAZVHIDOMI-WBVHZDCISA-N 2 2 321.534 3.413 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccsc2S1 ZINC000250902367 660002149 /nfs/dbraw/zinc/00/21/49/660002149.db2.gz OHGHWVIBSJVNOR-ABHRYQDASA-N 2 2 324.515 3.126 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccsc2S1 ZINC000250902367 660002152 /nfs/dbraw/zinc/00/21/52/660002152.db2.gz OHGHWVIBSJVNOR-ABHRYQDASA-N 2 2 324.515 3.126 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074700 660036530 /nfs/dbraw/zinc/03/65/30/660036530.db2.gz QAOOPCCXGIHUNG-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074700 660036534 /nfs/dbraw/zinc/03/65/34/660036534.db2.gz QAOOPCCXGIHUNG-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP [NH3+]CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000324967057 660168207 /nfs/dbraw/zinc/16/82/07/660168207.db2.gz MGTWBQHCBSPWRM-QGZVFWFLSA-N 2 2 318.424 3.325 20 0 DGADLP c1cc(SCC[NH+]2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000929285789 661294419 /nfs/dbraw/zinc/29/44/19/661294419.db2.gz GHLVWRSXIWHGMO-UHFFFAOYSA-N 2 2 305.491 3.124 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)nn1 ZINC000929421176 661305710 /nfs/dbraw/zinc/30/57/10/661305710.db2.gz GVVYFGMFICIIGV-GOSISDBHSA-N 2 2 316.493 3.037 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)nn1 ZINC000929421176 661305713 /nfs/dbraw/zinc/30/57/13/661305713.db2.gz GVVYFGMFICIIGV-GOSISDBHSA-N 2 2 316.493 3.037 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000929803119 661340151 /nfs/dbraw/zinc/34/01/51/661340151.db2.gz BXMVBRRRMOMIQU-CHWSQXEVSA-N 2 2 317.355 3.089 20 0 DGADLP COC/C(C)=C\C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929980467 661354975 /nfs/dbraw/zinc/35/49/75/661354975.db2.gz FNKAGUCPVJUVCR-MFOYZWKCSA-N 2 2 302.462 3.176 20 0 DGADLP COC/C(C)=C\C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929980467 661354978 /nfs/dbraw/zinc/35/49/78/661354978.db2.gz FNKAGUCPVJUVCR-MFOYZWKCSA-N 2 2 302.462 3.176 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991636 661356107 /nfs/dbraw/zinc/35/61/07/661356107.db2.gz INKGMBNLBRDTBF-AVGNSLFASA-N 2 2 317.355 3.089 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991636 661356109 /nfs/dbraw/zinc/35/61/09/661356109.db2.gz INKGMBNLBRDTBF-AVGNSLFASA-N 2 2 317.355 3.089 20 0 DGADLP C[C@@H]1C[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000930129997 661369108 /nfs/dbraw/zinc/36/91/08/661369108.db2.gz WBMHKDKHOBAWHU-ZSHCYNCHSA-N 2 2 303.450 3.162 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577610 661412465 /nfs/dbraw/zinc/41/24/65/661412465.db2.gz URIWWLHOYNHGCF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577610 661412468 /nfs/dbraw/zinc/41/24/68/661412468.db2.gz URIWWLHOYNHGCF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577610 661412469 /nfs/dbraw/zinc/41/24/69/661412469.db2.gz URIWWLHOYNHGCF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577610 661412472 /nfs/dbraw/zinc/41/24/72/661412472.db2.gz URIWWLHOYNHGCF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](CCSc3ccc(F)cc3)C[C@]2(C)C1 ZINC000931305749 661465804 /nfs/dbraw/zinc/46/58/04/661465804.db2.gz CKNOMQOZHJHTII-IRXDYDNUSA-N 2 2 308.466 3.191 20 0 DGADLP COc1cccc(SCC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000931319192 661466919 /nfs/dbraw/zinc/46/69/19/661466919.db2.gz XMOZRYINFWFTBY-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP COc1cccc(SCC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000931319192 661466921 /nfs/dbraw/zinc/46/69/21/661466921.db2.gz XMOZRYINFWFTBY-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP COc1cccc(SCC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000931319192 661466924 /nfs/dbraw/zinc/46/69/24/661466924.db2.gz XMOZRYINFWFTBY-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP COc1cccc(SCC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000931319192 661466926 /nfs/dbraw/zinc/46/69/26/661466926.db2.gz XMOZRYINFWFTBY-HDICACEKSA-N 2 2 320.502 3.061 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC000931434737 661476321 /nfs/dbraw/zinc/47/63/21/661476321.db2.gz ZQDOMJVBEPWJJD-CABCVRRESA-N 2 2 305.491 3.184 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC000931434737 661476323 /nfs/dbraw/zinc/47/63/23/661476323.db2.gz ZQDOMJVBEPWJJD-CABCVRRESA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC000931434737 661476324 /nfs/dbraw/zinc/47/63/24/661476324.db2.gz ZQDOMJVBEPWJJD-CABCVRRESA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC000931434737 661476326 /nfs/dbraw/zinc/47/63/26/661476326.db2.gz ZQDOMJVBEPWJJD-CABCVRRESA-N 2 2 305.491 3.184 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719692 661502355 /nfs/dbraw/zinc/50/23/55/661502355.db2.gz LUVBLIBJKFCPTM-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719692 661502357 /nfs/dbraw/zinc/50/23/57/661502357.db2.gz LUVBLIBJKFCPTM-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719692 661502359 /nfs/dbraw/zinc/50/23/59/661502359.db2.gz LUVBLIBJKFCPTM-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719692 661502361 /nfs/dbraw/zinc/50/23/61/661502361.db2.gz LUVBLIBJKFCPTM-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP Cc1[nH]c(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)c(C)[nH+]1 ZINC000933926654 661666809 /nfs/dbraw/zinc/66/68/09/661666809.db2.gz GQSOBAHHXOIOIH-HNNXBMFYSA-N 2 2 303.381 3.209 20 0 DGADLP CCC[N@H+](C[C@@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185425 661685188 /nfs/dbraw/zinc/68/51/88/661685188.db2.gz MGFHQZBFFSDCTK-HXUWFJFHSA-N 2 2 316.489 3.134 20 0 DGADLP CCC[N@@H+](C[C@@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185425 661685191 /nfs/dbraw/zinc/68/51/91/661685191.db2.gz MGFHQZBFFSDCTK-HXUWFJFHSA-N 2 2 316.489 3.134 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000188569491 661935118 /nfs/dbraw/zinc/93/51/18/661935118.db2.gz CLLBXXOWQBTRQO-IBGZPJMESA-N 2 2 315.461 3.004 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000079757352 662121274 /nfs/dbraw/zinc/12/12/74/662121274.db2.gz DCXMANDXCBOTIS-UHFFFAOYSA-N 2 2 320.396 3.121 20 0 DGADLP Clc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000083449010 662194996 /nfs/dbraw/zinc/19/49/96/662194996.db2.gz LIJUAEZUSBJAGM-UHFFFAOYSA-N 2 2 312.804 3.270 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118885 685234775 /nfs/dbraw/zinc/23/47/75/685234775.db2.gz GPGRYOGXQBPSDU-KBXCAEBGSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118885 685234780 /nfs/dbraw/zinc/23/47/80/685234780.db2.gz GPGRYOGXQBPSDU-KBXCAEBGSA-N 2 2 315.486 3.452 20 0 DGADLP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597303 1191850901 /nfs/dbraw/zinc/85/09/01/1191850901.db2.gz FIGKWJHJAZAVSE-BRWVUGGUSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597303 1191850909 /nfs/dbraw/zinc/85/09/09/1191850909.db2.gz FIGKWJHJAZAVSE-BRWVUGGUSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccc(Br)cc2)C[NH2+]1 ZINC001576669916 1191860592 /nfs/dbraw/zinc/86/05/92/1191860592.db2.gz CFSASKPFTYJWQF-FKZRYSJHSA-N 2 2 309.251 3.192 20 0 DGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2O1 ZINC001576863697 1191872605 /nfs/dbraw/zinc/87/26/05/1191872605.db2.gz XLKVEHBZWFMIMK-FHLIZLRMSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2O1 ZINC001576863697 1191872606 /nfs/dbraw/zinc/87/26/06/1191872606.db2.gz XLKVEHBZWFMIMK-FHLIZLRMSA-N 2 2 300.446 3.117 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC1([NH3+])CCC1 ZINC001576983680 1191878573 /nfs/dbraw/zinc/87/85/73/1191878573.db2.gz DIFOXCASCFYMOV-CQSZACIVSA-N 2 2 307.457 3.279 20 0 DGADLP CC[N@H+](C[C@@H](C[NH3+])C(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710815 1191913559 /nfs/dbraw/zinc/91/35/59/1191913559.db2.gz BXNBHBYCHFRYNN-VQTJNVASSA-N 3 2 317.521 3.061 20 0 DGADLP CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710815 1191913561 /nfs/dbraw/zinc/91/35/61/1191913561.db2.gz BXNBHBYCHFRYNN-VQTJNVASSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@@H](C[NH3+])C(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577710815 1191913564 /nfs/dbraw/zinc/91/35/64/1191913564.db2.gz BXNBHBYCHFRYNN-VQTJNVASSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@@H](C[NH3+])C(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710815 1191913568 /nfs/dbraw/zinc/91/35/68/1191913568.db2.gz BXNBHBYCHFRYNN-VQTJNVASSA-N 3 2 317.521 3.061 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC001578275336 1191936525 /nfs/dbraw/zinc/93/65/25/1191936525.db2.gz JBDFPQSGEATOEQ-FGTMMUONSA-N 2 2 304.478 3.432 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001578663565 1191950471 /nfs/dbraw/zinc/95/04/71/1191950471.db2.gz FWRHXPSPXWVJPE-NSHDSACASA-N 2 2 323.412 3.130 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001578663565 1191950473 /nfs/dbraw/zinc/95/04/73/1191950473.db2.gz FWRHXPSPXWVJPE-NSHDSACASA-N 2 2 323.412 3.130 20 0 DGADLP CO[C@@H](C[N@@H+]1CCCC[C@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909061 1191960982 /nfs/dbraw/zinc/96/09/82/1191960982.db2.gz PCJHPLWALUOKQD-ZWKOTPCHSA-N 2 2 306.425 3.121 20 0 DGADLP CO[C@@H](C[N@H+]1CCCC[C@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909061 1191960983 /nfs/dbraw/zinc/96/09/83/1191960983.db2.gz PCJHPLWALUOKQD-ZWKOTPCHSA-N 2 2 306.425 3.121 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1(C[NH3+])CCCCC1 ZINC001579655499 1191984579 /nfs/dbraw/zinc/98/45/79/1191984579.db2.gz DECAYMOKCAIAIL-UHFFFAOYSA-N 2 2 312.461 3.240 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157697 1192010682 /nfs/dbraw/zinc/01/06/82/1192010682.db2.gz KIBGBOASTKLHCM-LPHOPBHVSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157697 1192010685 /nfs/dbraw/zinc/01/06/85/1192010685.db2.gz KIBGBOASTKLHCM-LPHOPBHVSA-N 2 2 309.413 3.187 20 0 DGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)CCCO2 ZINC001580890127 1192044088 /nfs/dbraw/zinc/04/40/88/1192044088.db2.gz IEHZDNMTIZENNS-ROUUACIJSA-N 2 2 300.446 3.118 20 0 DGADLP c1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)CCCO2 ZINC001580890127 1192044090 /nfs/dbraw/zinc/04/40/90/1192044090.db2.gz IEHZDNMTIZENNS-ROUUACIJSA-N 2 2 300.446 3.118 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001583786663 1192160621 /nfs/dbraw/zinc/16/06/21/1192160621.db2.gz FFQJRNVHPVTJLG-HOCLYGCPSA-N 2 2 312.417 3.136 20 0 DGADLP C/C(=C\C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)c1ccco1 ZINC001586300356 1192320025 /nfs/dbraw/zinc/32/00/25/1192320025.db2.gz JOKWBQQYGWEEIF-ZRDIBKRKSA-N 2 2 308.341 3.211 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(C)[nH+]1 ZINC001588147247 1192435512 /nfs/dbraw/zinc/43/55/12/1192435512.db2.gz ZYYLKVVYVQNORL-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP OCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000077459710 1176234489 /nfs/dbraw/zinc/23/44/89/1176234489.db2.gz SUTSWFHFAUFCNC-INIZCTEOSA-N 2 2 313.426 3.147 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)[nH+]c1C ZINC001333257205 1178577909 /nfs/dbraw/zinc/57/79/09/1178577909.db2.gz LBWMNQVMNDPDBP-IAGOWNOFSA-N 2 2 324.428 3.163 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001333320529 1178587775 /nfs/dbraw/zinc/58/77/75/1178587775.db2.gz OPTHOLGGJXMPCA-ZWKOTPCHSA-N 2 2 323.484 3.480 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001333320529 1178587777 /nfs/dbraw/zinc/58/77/77/1178587777.db2.gz OPTHOLGGJXMPCA-ZWKOTPCHSA-N 2 2 323.484 3.480 20 0 DGADLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001333681133 1178652551 /nfs/dbraw/zinc/65/25/51/1178652551.db2.gz HETKCAURWSDDPJ-KRWDZBQOSA-N 2 2 314.429 3.242 20 0 DGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001333681133 1178652554 /nfs/dbraw/zinc/65/25/54/1178652554.db2.gz HETKCAURWSDDPJ-KRWDZBQOSA-N 2 2 314.429 3.242 20 0 DGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001333681133 1178652558 /nfs/dbraw/zinc/65/25/58/1178652558.db2.gz HETKCAURWSDDPJ-KRWDZBQOSA-N 2 2 314.429 3.242 20 0 DGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001333681133 1178652563 /nfs/dbraw/zinc/65/25/63/1178652563.db2.gz HETKCAURWSDDPJ-KRWDZBQOSA-N 2 2 314.429 3.242 20 0 DGADLP FC(F)(F)Oc1cccc(CC[NH2+]CCCn2cc[nH+]c2)c1 ZINC001335434617 1178910399 /nfs/dbraw/zinc/91/03/99/1178910399.db2.gz ZSPLKEUBXSKOPI-UHFFFAOYSA-N 2 2 313.323 3.004 20 0 DGADLP Cc1c[nH+]c2ccccc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001335587561 1178933664 /nfs/dbraw/zinc/93/36/64/1178933664.db2.gz CWTZOSYRVINBSW-OAHLLOKOSA-N 2 2 304.397 3.051 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001345077448 1179523259 /nfs/dbraw/zinc/52/32/59/1179523259.db2.gz QNMRVUPSHYXNPY-YJBOKZPZSA-N 2 2 314.429 3.288 20 0 DGADLP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001349886559 1179972693 /nfs/dbraw/zinc/97/26/93/1179972693.db2.gz UMZSBTLURKTHHS-ZDUSSCGKSA-N 2 2 300.406 3.020 20 0 DGADLP [NH3+][C@H](c1noc([C@@H]([NH3+])C2CCCCCC2)n1)c1ccccc1 ZINC001352141076 1180301268 /nfs/dbraw/zinc/30/12/68/1180301268.db2.gz GVFJDTGLLBDCQY-GJZGRUSLSA-N 2 2 300.406 3.088 20 0 DGADLP CCCCC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522081 1180759007 /nfs/dbraw/zinc/75/90/07/1180759007.db2.gz AQDKEROQXWFYPM-UHFFFAOYSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH+](C)C)CCCCCC2)c(C)[nH+]1 ZINC001440613308 1182043743 /nfs/dbraw/zinc/04/37/43/1182043743.db2.gz PZSSIYZXBUEVRO-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1nc(N(C)CC[N@H+](C)C2CCCCC2)c2c([nH+]1)CCCC2 ZINC001458131444 1182499548 /nfs/dbraw/zinc/49/95/48/1182499548.db2.gz IEOHAOSKGKVVLQ-UHFFFAOYSA-N 2 2 316.493 3.365 20 0 DGADLP Cc1nc(N(C)CC[N@@H+](C)C2CCCCC2)c2c([nH+]1)CCCC2 ZINC001458131444 1182499549 /nfs/dbraw/zinc/49/95/49/1182499549.db2.gz IEOHAOSKGKVVLQ-UHFFFAOYSA-N 2 2 316.493 3.365 20 0 DGADLP C[NH+](C)CC1(CNc2nc3ccccc3n3c[nH+]cc23)CCCC1 ZINC001458305889 1182512749 /nfs/dbraw/zinc/51/27/49/1182512749.db2.gz IYWXWXATULTKFN-UHFFFAOYSA-N 2 2 323.444 3.416 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965290 1182635572 /nfs/dbraw/zinc/63/55/72/1182635572.db2.gz HWCPJAJCQBSEMW-AQNXPRMDSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965290 1182635576 /nfs/dbraw/zinc/63/55/76/1182635576.db2.gz HWCPJAJCQBSEMW-AQNXPRMDSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459965290 1182635587 /nfs/dbraw/zinc/63/55/87/1182635587.db2.gz HWCPJAJCQBSEMW-AQNXPRMDSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459965290 1182635596 /nfs/dbraw/zinc/63/55/96/1182635596.db2.gz HWCPJAJCQBSEMW-AQNXPRMDSA-N 2 2 318.505 3.380 20 0 DGADLP Cc1ccc2ncc(C[NH+]3C[C@@]4(C)C[N@@H+](C)C[C@@]4(C)C3)cc2c1 ZINC001460557374 1182696432 /nfs/dbraw/zinc/69/64/32/1182696432.db2.gz CTWHKHFVPLWZRU-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1ccc2ncc(C[NH+]3C[C@@]4(C)C[N@H+](C)C[C@@]4(C)C3)cc2c1 ZINC001460557374 1182696434 /nfs/dbraw/zinc/69/64/34/1182696434.db2.gz CTWHKHFVPLWZRU-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3C[C@@]4(C)C[NH+](C)C[C@@]4(C)C3)cc2c1 ZINC001460557374 1182696435 /nfs/dbraw/zinc/69/64/35/1182696435.db2.gz CTWHKHFVPLWZRU-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3C[C@@]4(C)C[NH+](C)C[C@@]4(C)C3)cc2c1 ZINC001460557374 1182696439 /nfs/dbraw/zinc/69/64/39/1182696439.db2.gz CTWHKHFVPLWZRU-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001460689334 1182707376 /nfs/dbraw/zinc/70/73/76/1182707376.db2.gz HTWHRLXMKLAHAT-IBGZPJMESA-N 2 2 307.397 3.423 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC001461013047 1182756202 /nfs/dbraw/zinc/75/62/02/1182756202.db2.gz NEHWSQPVBGTERB-HNNXBMFYSA-N 2 2 321.534 3.480 20 0 DGADLP Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)cc2C)cc(C)[nH+]1 ZINC001461084596 1182765309 /nfs/dbraw/zinc/76/53/09/1182765309.db2.gz HUBVDIUANMHMIO-UHFFFAOYSA-N 2 2 324.472 3.371 20 0 DGADLP CCc1cnc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001461259305 1182788159 /nfs/dbraw/zinc/78/81/59/1182788159.db2.gz MFUJEQYLRPPGRF-UHFFFAOYSA-N 2 2 318.471 3.285 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccncc1F)c1ccccc1 ZINC001462451577 1182955377 /nfs/dbraw/zinc/95/53/77/1182955377.db2.gz CYXQQOZMKPKVBS-KRWDZBQOSA-N 2 2 310.376 3.028 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC2CSC2)C[N@@H+]1Cc1ccccc1 ZINC001462670168 1182982622 /nfs/dbraw/zinc/98/26/22/1182982622.db2.gz PQTICAJPERMIJB-QGZVFWFLSA-N 2 2 304.503 3.382 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC2CSC2)C[N@H+]1Cc1ccccc1 ZINC001462670168 1182982627 /nfs/dbraw/zinc/98/26/27/1182982627.db2.gz PQTICAJPERMIJB-QGZVFWFLSA-N 2 2 304.503 3.382 20 0 DGADLP CCc1nc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001472719915 1183672177 /nfs/dbraw/zinc/67/21/77/1183672177.db2.gz ARLNPYLQOALBTH-SFHVURJKSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001472719915 1183672181 /nfs/dbraw/zinc/67/21/81/1183672181.db2.gz ARLNPYLQOALBTH-SFHVURJKSA-N 2 2 324.472 3.448 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3([C@@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245961 1183735081 /nfs/dbraw/zinc/73/50/81/1183735081.db2.gz ZEULANDMKCYLNQ-CVEARBPZSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3([C@@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245961 1183735082 /nfs/dbraw/zinc/73/50/82/1183735082.db2.gz ZEULANDMKCYLNQ-CVEARBPZSA-N 2 2 303.450 3.329 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1[C@H](c3ccccc3)C1(F)F)CC2 ZINC001473731796 1183795094 /nfs/dbraw/zinc/79/50/94/1183795094.db2.gz GYHSMFVZXWTQOX-YOEHRIQHSA-N 2 2 315.367 3.071 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1[C@H](c3ccccc3)C1(F)F)CC2 ZINC001473731796 1183795097 /nfs/dbraw/zinc/79/50/97/1183795097.db2.gz GYHSMFVZXWTQOX-YOEHRIQHSA-N 2 2 315.367 3.071 20 0 DGADLP CC[C@H](C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909293 1183825717 /nfs/dbraw/zinc/82/57/17/1183825717.db2.gz MPEWTEFZSMVVOZ-IEBWSBKVSA-N 2 2 304.478 3.127 20 0 DGADLP CC[C@H](C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909293 1183825718 /nfs/dbraw/zinc/82/57/18/1183825718.db2.gz MPEWTEFZSMVVOZ-IEBWSBKVSA-N 2 2 304.478 3.127 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+]CCC[NH+]1CCCC1 ZINC001473917708 1183827025 /nfs/dbraw/zinc/82/70/25/1183827025.db2.gz MONZPFRKPIEYFV-UHFFFAOYSA-N 2 2 303.837 3.464 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001473920338 1183827747 /nfs/dbraw/zinc/82/77/47/1183827747.db2.gz QCQJOWVPNCFEPN-HDICACEKSA-N 2 2 318.505 3.474 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001473920338 1183827754 /nfs/dbraw/zinc/82/77/54/1183827754.db2.gz QCQJOWVPNCFEPN-HDICACEKSA-N 2 2 318.505 3.474 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC001473927869 1183830406 /nfs/dbraw/zinc/83/04/06/1183830406.db2.gz JKTXFTXYYYAYJS-LBPRGKRZSA-N 2 2 313.323 3.003 20 0 DGADLP Cc1nn2c(C[NH2+]CCC[N@@H+](C)C(C)C)c(C(C)C)nc2s1 ZINC001473928497 1183830478 /nfs/dbraw/zinc/83/04/78/1183830478.db2.gz PZPSKNMNRHMXOH-UHFFFAOYSA-N 2 2 323.510 3.043 20 0 DGADLP Cc1nn2c(C[NH2+]CCC[N@H+](C)C(C)C)c(C(C)C)nc2s1 ZINC001473928497 1183830483 /nfs/dbraw/zinc/83/04/83/1183830483.db2.gz PZPSKNMNRHMXOH-UHFFFAOYSA-N 2 2 323.510 3.043 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nccn1C ZINC001473932226 1183831563 /nfs/dbraw/zinc/83/15/63/1183831563.db2.gz WPFFNUMPODVNMU-INIZCTEOSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nccn1C ZINC001473932226 1183831568 /nfs/dbraw/zinc/83/15/68/1183831568.db2.gz WPFFNUMPODVNMU-INIZCTEOSA-N 2 2 312.461 3.084 20 0 DGADLP COc1ccc(OC)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001474108847 1183869054 /nfs/dbraw/zinc/86/90/54/1183869054.db2.gz IABWXVWSJLGCRY-OAHLLOKOSA-N 2 2 306.450 3.058 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)CC2 ZINC001474127789 1183871814 /nfs/dbraw/zinc/87/18/14/1183871814.db2.gz GGKYROVZNFMHOH-SFHVURJKSA-N 2 2 316.489 3.264 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)CC2 ZINC001474127789 1183871819 /nfs/dbraw/zinc/87/18/19/1183871819.db2.gz GGKYROVZNFMHOH-SFHVURJKSA-N 2 2 316.489 3.264 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2O1 ZINC001474195360 1183881536 /nfs/dbraw/zinc/88/15/36/1183881536.db2.gz SSORQXFYWQVZSR-UONOGXRCSA-N 2 2 324.371 3.115 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2O1 ZINC001474195360 1183881541 /nfs/dbraw/zinc/88/15/41/1183881541.db2.gz SSORQXFYWQVZSR-UONOGXRCSA-N 2 2 324.371 3.115 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001474221055 1183885654 /nfs/dbraw/zinc/88/56/54/1183885654.db2.gz YJNBRPVDDYWJSQ-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001474221055 1183885655 /nfs/dbraw/zinc/88/56/55/1183885655.db2.gz YJNBRPVDDYWJSQ-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC(C)(C)C ZINC001480485929 1184536052 /nfs/dbraw/zinc/53/60/52/1184536052.db2.gz GPJNBSSELIMRDJ-ZDUSSCGKSA-N 2 2 316.449 3.097 20 0 DGADLP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496115425 1185136578 /nfs/dbraw/zinc/13/65/78/1185136578.db2.gz GAMDCVPLYVFYRN-OAHLLOKOSA-N 2 2 305.466 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001496749117 1185241053 /nfs/dbraw/zinc/24/10/53/1185241053.db2.gz NFUHKNPGMXZPAG-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001496749117 1185241056 /nfs/dbraw/zinc/24/10/56/1185241056.db2.gz NFUHKNPGMXZPAG-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP Cc1cc(F)cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC001548515394 1186061767 /nfs/dbraw/zinc/06/17/67/1186061767.db2.gz GEXFAQBUUPHTJO-CQSZACIVSA-N 2 2 314.408 3.446 20 0 DGADLP COc1cc(Cl)ccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001655646913 1195944715 /nfs/dbraw/zinc/94/47/15/1195944715.db2.gz CULMZIVUHMLCKI-UHFFFAOYSA-N 2 2 305.809 3.099 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC001515237051 1186749411 /nfs/dbraw/zinc/74/94/11/1186749411.db2.gz BKPGFAFRJHIYHV-OAHLLOKOSA-N 2 2 306.413 3.427 20 0 DGADLP C/C(=C\c1ccccn1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001543797123 1188363417 /nfs/dbraw/zinc/36/34/17/1188363417.db2.gz ODQBFRXOIJVYNR-ACCUITESSA-N 2 2 319.368 3.013 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)c1cccc(O)c1 ZINC001543797112 1188363634 /nfs/dbraw/zinc/36/36/34/1188363634.db2.gz NLCNLKXKRPTRFK-GFCCVEGCSA-N 2 2 322.368 3.024 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)o1 ZINC001549118167 1188496473 /nfs/dbraw/zinc/49/64/73/1188496473.db2.gz WZXGDJUCEUDDML-HNAYVOBHSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)o1 ZINC001549118167 1188496475 /nfs/dbraw/zinc/49/64/75/1188496475.db2.gz WZXGDJUCEUDDML-HNAYVOBHSA-N 2 2 311.429 3.211 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001549586596 1188528918 /nfs/dbraw/zinc/52/89/18/1188528918.db2.gz RNZJIWDRVQHLNI-CYBMUJFWSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001549586596 1188528922 /nfs/dbraw/zinc/52/89/22/1188528922.db2.gz RNZJIWDRVQHLNI-CYBMUJFWSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001550058633 1188576251 /nfs/dbraw/zinc/57/62/51/1188576251.db2.gz NHQXGRBQAYTJOF-APWZRJJASA-N 2 2 309.457 3.405 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001550058633 1188576254 /nfs/dbraw/zinc/57/62/54/1188576254.db2.gz NHQXGRBQAYTJOF-APWZRJJASA-N 2 2 309.457 3.405 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130520 1188584215 /nfs/dbraw/zinc/58/42/15/1188584215.db2.gz XZINDUHWVGMYPW-LSDHHAIUSA-N 2 2 305.466 3.193 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130520 1188584218 /nfs/dbraw/zinc/58/42/18/1188584218.db2.gz XZINDUHWVGMYPW-LSDHHAIUSA-N 2 2 305.466 3.193 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)cc2)[nH+]c1C ZINC001550218059 1188594990 /nfs/dbraw/zinc/59/49/90/1188594990.db2.gz JUBPUBBOQOIQFT-BBRMVZONSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c2c(n1)CCCC2 ZINC001550618243 1188632396 /nfs/dbraw/zinc/63/23/96/1188632396.db2.gz GXRXBHBKQLOXPP-INIZCTEOSA-N 2 2 324.472 3.382 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c2c(n1)CCCC2 ZINC001550618243 1188632399 /nfs/dbraw/zinc/63/23/99/1188632399.db2.gz GXRXBHBKQLOXPP-INIZCTEOSA-N 2 2 324.472 3.382 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]2COc2ccc(F)cc2)c(C)[nH+]1 ZINC001551010542 1188682826 /nfs/dbraw/zinc/68/28/26/1188682826.db2.gz GQSOBAHHXOIOIH-OAHLLOKOSA-N 2 2 303.381 3.209 20 0 DGADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]2COc2ccc(F)cc2)c(C)[nH+]1 ZINC001551010542 1188682828 /nfs/dbraw/zinc/68/28/28/1188682828.db2.gz GQSOBAHHXOIOIH-OAHLLOKOSA-N 2 2 303.381 3.209 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])ccc1F ZINC001551378309 1188732329 /nfs/dbraw/zinc/73/23/29/1188732329.db2.gz OGHQUSLAKFQKIJ-SDDDUWNISA-N 2 2 300.377 3.110 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC001551378588 1188732389 /nfs/dbraw/zinc/73/23/89/1188732389.db2.gz QZVWGBWEKXHFOH-YHZLUUAOSA-N 2 2 314.473 3.471 20 0 DGADLP Cc1cc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(C)[nH+]1 ZINC001552307158 1188834929 /nfs/dbraw/zinc/83/49/29/1188834929.db2.gz XOCWHHLTJCXUDG-RBUKOAKNSA-N 2 2 323.440 3.008 20 0 DGADLP Cc1cc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(C)[nH+]1 ZINC001552307158 1188834934 /nfs/dbraw/zinc/83/49/34/1188834934.db2.gz XOCWHHLTJCXUDG-RBUKOAKNSA-N 2 2 323.440 3.008 20 0 DGADLP CC(C)C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001559576158 1189219690 /nfs/dbraw/zinc/21/96/90/1189219690.db2.gz UFKJKORLLRPSHW-FQEVSTJZSA-N 2 2 316.489 3.387 20 0 DGADLP CC(C)C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001559576158 1189219692 /nfs/dbraw/zinc/21/96/92/1189219692.db2.gz UFKJKORLLRPSHW-FQEVSTJZSA-N 2 2 316.489 3.387 20 0 DGADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001559847650 1189249768 /nfs/dbraw/zinc/24/97/68/1189249768.db2.gz YOEGWJXUTADLSQ-ZTFGCOKTSA-N 2 2 313.445 3.330 20 0 DGADLP COc1cccc(CCC[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001560234270 1189295826 /nfs/dbraw/zinc/29/58/26/1189295826.db2.gz YUYZBNUNDFJTHH-UHFFFAOYSA-N 2 2 313.445 3.241 20 0 DGADLP Fc1cccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001560253037 1189299433 /nfs/dbraw/zinc/29/94/33/1189299433.db2.gz VOLLPPNIDJGMQG-UHFFFAOYSA-N 2 2 301.390 3.405 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCCC3)C[C@H](C)O1 ZINC001560255277 1189300211 /nfs/dbraw/zinc/30/02/11/1189300211.db2.gz IUFQCYXMKLVREG-CALCHBBNSA-N 2 2 316.489 3.154 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCCC3)C[C@H](C)O1 ZINC001560255277 1189300214 /nfs/dbraw/zinc/30/02/14/1189300214.db2.gz IUFQCYXMKLVREG-CALCHBBNSA-N 2 2 316.489 3.154 20 0 DGADLP Fc1ccc(OCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001560264363 1189302193 /nfs/dbraw/zinc/30/21/93/1189302193.db2.gz XUYLKPDHYBUZHK-UHFFFAOYSA-N 2 2 311.360 3.180 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1 ZINC001560321159 1189311173 /nfs/dbraw/zinc/31/11/73/1189311173.db2.gz DCGQDUIMRASREF-XLTMVAFESA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C)c1 ZINC001560321159 1189311178 /nfs/dbraw/zinc/31/11/78/1189311178.db2.gz DCGQDUIMRASREF-XLTMVAFESA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1 ZINC001560321157 1189311404 /nfs/dbraw/zinc/31/14/04/1189311404.db2.gz DCGQDUIMRASREF-BBDZXRDTSA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C)c1 ZINC001560321157 1189311408 /nfs/dbraw/zinc/31/14/08/1189311408.db2.gz DCGQDUIMRASREF-BBDZXRDTSA-N 2 2 314.473 3.078 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001560329253 1189311680 /nfs/dbraw/zinc/31/16/80/1189311680.db2.gz ABQYPJQCOQMSDM-ROUUACIJSA-N 2 2 316.489 3.407 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001560329253 1189311685 /nfs/dbraw/zinc/31/16/85/1189311685.db2.gz ABQYPJQCOQMSDM-ROUUACIJSA-N 2 2 316.489 3.407 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560345923 1189315215 /nfs/dbraw/zinc/31/52/15/1189315215.db2.gz CAFINKSZFMCDNY-SNVBAGLBSA-N 2 2 302.403 3.389 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001560460279 1189330281 /nfs/dbraw/zinc/33/02/81/1189330281.db2.gz VJVDBBWFUDCHNX-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC001560530308 1189336768 /nfs/dbraw/zinc/33/67/68/1189336768.db2.gz HNDWEPVKQJJKEL-IRXDYDNUSA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC001560530308 1189336770 /nfs/dbraw/zinc/33/67/70/1189336770.db2.gz HNDWEPVKQJJKEL-IRXDYDNUSA-N 2 2 316.489 3.405 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1C ZINC001560555636 1189341157 /nfs/dbraw/zinc/34/11/57/1189341157.db2.gz YIJLYYNKKUPMGP-GHOSXJJBSA-N 2 2 316.489 3.060 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1C ZINC001560555636 1189341186 /nfs/dbraw/zinc/34/11/86/1189341186.db2.gz YIJLYYNKKUPMGP-GHOSXJJBSA-N 2 2 316.489 3.060 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(F)c2ccccc12)C[NH+](C)C ZINC001560585629 1189345121 /nfs/dbraw/zinc/34/51/21/1189345121.db2.gz DDFDSAPBGOXAKP-OAHLLOKOSA-N 2 2 304.409 3.035 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC001560652463 1189355010 /nfs/dbraw/zinc/35/50/10/1189355010.db2.gz AJCYTSDTGWYQSS-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC001560652463 1189355014 /nfs/dbraw/zinc/35/50/14/1189355014.db2.gz AJCYTSDTGWYQSS-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1ccc(OC(F)F)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC001560652463 1189355020 /nfs/dbraw/zinc/35/50/20/1189355020.db2.gz AJCYTSDTGWYQSS-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1ccc(OC(F)F)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001560652463 1189355024 /nfs/dbraw/zinc/35/50/24/1189355024.db2.gz AJCYTSDTGWYQSS-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@@H+](Cc1ccccc1OCC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC001560653563 1189355233 /nfs/dbraw/zinc/35/52/33/1189355233.db2.gz WKPCKWCZJLKJKY-AWEZNQCLSA-N 2 2 312.404 3.104 20 0 DGADLP C[N@H+](Cc1ccccc1OCC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC001560653563 1189355237 /nfs/dbraw/zinc/35/52/37/1189355237.db2.gz WKPCKWCZJLKJKY-AWEZNQCLSA-N 2 2 312.404 3.104 20 0 DGADLP C[NH+](Cc1ccccc1OCC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC001560653563 1189355243 /nfs/dbraw/zinc/35/52/43/1189355243.db2.gz WKPCKWCZJLKJKY-AWEZNQCLSA-N 2 2 312.404 3.104 20 0 DGADLP C[NH+](Cc1ccccc1OCC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC001560653563 1189355247 /nfs/dbraw/zinc/35/52/47/1189355247.db2.gz WKPCKWCZJLKJKY-AWEZNQCLSA-N 2 2 312.404 3.104 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001560704742 1189362900 /nfs/dbraw/zinc/36/29/00/1189362900.db2.gz RGPANUGMTWXDAG-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001560704742 1189362905 /nfs/dbraw/zinc/36/29/05/1189362905.db2.gz RGPANUGMTWXDAG-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001560704744 1189363431 /nfs/dbraw/zinc/36/34/31/1189363431.db2.gz RGPANUGMTWXDAG-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001560704744 1189363442 /nfs/dbraw/zinc/36/34/42/1189363442.db2.gz RGPANUGMTWXDAG-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@]1(C)CCCCO1)C1CC1 ZINC001560776792 1189379680 /nfs/dbraw/zinc/37/96/80/1189379680.db2.gz ABIVZTWLGLQWGG-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@]1(C)CCCCO1)C1CC1 ZINC001560776792 1189379690 /nfs/dbraw/zinc/37/96/90/1189379690.db2.gz ABIVZTWLGLQWGG-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001560973348 1189413479 /nfs/dbraw/zinc/41/34/79/1189413479.db2.gz RCRAQKJFUZWZIR-SXLOBPIMSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001560973348 1189413480 /nfs/dbraw/zinc/41/34/80/1189413480.db2.gz RCRAQKJFUZWZIR-SXLOBPIMSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CSCCF)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001560973047 1189413803 /nfs/dbraw/zinc/41/38/03/1189413803.db2.gz HPIVLVUXSNKCMF-ZBFHGGJFSA-N 2 2 302.503 3.464 20 0 DGADLP C[C@H](CSCCF)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001560973047 1189413809 /nfs/dbraw/zinc/41/38/09/1189413809.db2.gz HPIVLVUXSNKCMF-ZBFHGGJFSA-N 2 2 302.503 3.464 20 0 DGADLP Cc1cc(F)c(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(F)c1 ZINC001561050732 1189426800 /nfs/dbraw/zinc/42/68/00/1189426800.db2.gz FMUOEISBHXMPCI-UHFFFAOYSA-N 2 2 305.372 3.386 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001567039501 1190003827 /nfs/dbraw/zinc/00/38/27/1190003827.db2.gz HVLDTPDBTKQJDQ-HNNXBMFYSA-N 2 2 315.461 3.215 20 0 DGADLP CCN(CC[NH2+]CC1CC(C)C1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568761251 1190586119 /nfs/dbraw/zinc/58/61/19/1190586119.db2.gz AKGAPWLCTICSLZ-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP CCCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001570622379 1190903994 /nfs/dbraw/zinc/90/39/94/1190903994.db2.gz WSTFAPDVZVVZLX-HUUCEWRRSA-N 2 2 316.449 3.011 20 0 DGADLP CCCCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001570622377 1190904200 /nfs/dbraw/zinc/90/42/00/1190904200.db2.gz WSTFAPDVZVVZLX-CABCVRRESA-N 2 2 316.449 3.011 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(Br)c1F ZINC001575107412 1191466604 /nfs/dbraw/zinc/46/66/04/1191466604.db2.gz ANFSSVCKAZDDRD-LLVKDONJSA-N 2 2 303.219 3.051 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001621100946 1193759597 /nfs/dbraw/zinc/75/95/97/1193759597.db2.gz ZGULOADZTLGCGZ-INIZCTEOSA-N 2 2 304.478 3.338 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1 ZINC001621100946 1193759601 /nfs/dbraw/zinc/75/96/01/1193759601.db2.gz ZGULOADZTLGCGZ-INIZCTEOSA-N 2 2 304.478 3.338 20 0 DGADLP CC(C)n1c(C[NH2+]CC(C)(C)C[NH+](C)C)nc2ccccc21 ZINC001620696140 1193792314 /nfs/dbraw/zinc/79/23/14/1193792314.db2.gz JTLZTLYJKMVRGQ-UHFFFAOYSA-N 2 2 302.466 3.295 20 0 DGADLP CC1CC[NH+](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)CC1 ZINC001620720479 1193794325 /nfs/dbraw/zinc/79/43/25/1193794325.db2.gz LBBUKWGCQSQVCI-UHFFFAOYSA-N 2 2 308.510 3.436 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3cnccc3o2)cn1 ZINC001620732068 1193795972 /nfs/dbraw/zinc/79/59/72/1193795972.db2.gz UKDRRWXZKMJQQS-UHFFFAOYSA-N 2 2 319.368 3.007 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)C[NH+](C)C ZINC001621064205 1193798543 /nfs/dbraw/zinc/79/85/43/1193798543.db2.gz SRMZODAXIYSKSF-KRWDZBQOSA-N 2 2 318.486 3.471 20 0 DGADLP COc1ccc(SCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001621113810 1193804781 /nfs/dbraw/zinc/80/47/81/1193804781.db2.gz SGTIUWZKAHGRBD-CQSZACIVSA-N 2 2 317.458 3.390 20 0 DGADLP COc1ccc(SCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001621113810 1193804784 /nfs/dbraw/zinc/80/47/84/1193804784.db2.gz SGTIUWZKAHGRBD-CQSZACIVSA-N 2 2 317.458 3.390 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC001621472627 1193847163 /nfs/dbraw/zinc/84/71/63/1193847163.db2.gz OCIFVWFOGRLUQQ-UHFFFAOYSA-N 2 2 314.473 3.462 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001621487429 1193848968 /nfs/dbraw/zinc/84/89/68/1193848968.db2.gz XSHWZKJZTBLYFV-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001621487429 1193848970 /nfs/dbraw/zinc/84/89/70/1193848970.db2.gz XSHWZKJZTBLYFV-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)nc(C)[nH+]1 ZINC001640307775 1194806083 /nfs/dbraw/zinc/80/60/83/1194806083.db2.gz PVUUUQQZQVOXRX-SFHVURJKSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)nc(C)[nH+]1 ZINC001640307775 1194806086 /nfs/dbraw/zinc/80/60/86/1194806086.db2.gz PVUUUQQZQVOXRX-SFHVURJKSA-N 2 2 310.445 3.342 20 0 DGADLP Cc1nc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC001642078286 1194887308 /nfs/dbraw/zinc/88/73/08/1194887308.db2.gz RIYYSTPBOKNOGX-GJZGRUSLSA-N 2 2 316.493 3.444 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC4(CO3)CCCCC4)CC2)[nH]1 ZINC001644741638 1195131114 /nfs/dbraw/zinc/13/11/14/1195131114.db2.gz SNSPEFYFWDKBEB-INIZCTEOSA-N 2 2 303.450 3.329 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC001648646771 1195317802 /nfs/dbraw/zinc/31/78/02/1195317802.db2.gz CLYSFLYCCKCQNV-RYRKJORJSA-N 2 2 319.493 3.369 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC001648646771 1195317807 /nfs/dbraw/zinc/31/78/07/1195317807.db2.gz CLYSFLYCCKCQNV-RYRKJORJSA-N 2 2 319.493 3.369 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001648648289 1195318302 /nfs/dbraw/zinc/31/83/02/1195318302.db2.gz ZSSNNPNQFGDYAH-CVEARBPZSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001648648289 1195318306 /nfs/dbraw/zinc/31/83/06/1195318306.db2.gz ZSSNNPNQFGDYAH-CVEARBPZSA-N 2 2 305.466 3.244 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC001648702813 1195324320 /nfs/dbraw/zinc/32/43/20/1195324320.db2.gz IHNUUGKDZUHOIK-UHFFFAOYSA-N 2 2 304.265 3.397 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000063917710 1195325059 /nfs/dbraw/zinc/32/50/59/1195325059.db2.gz JWNHGMHVDIGINS-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000063917710 1195325063 /nfs/dbraw/zinc/32/50/63/1195325063.db2.gz JWNHGMHVDIGINS-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP FC(F)(F)c1cccnc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001648725238 1195325851 /nfs/dbraw/zinc/32/58/51/1195325851.db2.gz JCPYRNPKBBGCEO-UHFFFAOYSA-N 2 2 301.356 3.066 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C2 ZINC001648775293 1195330882 /nfs/dbraw/zinc/33/08/82/1195330882.db2.gz HVOKPRYJCGEJRQ-WMZOPIPTSA-N 2 2 316.489 3.407 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccco2)nc(C2CCC2)[nH+]1 ZINC001651617288 1195486373 /nfs/dbraw/zinc/48/63/73/1195486373.db2.gz ZAFKSKBQOYEOAL-UHFFFAOYSA-N 2 2 314.433 3.214 20 0 DGADLP Cc1nc(N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC001652318475 1195581651 /nfs/dbraw/zinc/58/16/51/1195581651.db2.gz VMTPEOYDTWYCDT-QYZOEREBSA-N 2 2 322.456 3.498 20 0 DGADLP Cc1nc(N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC001652318475 1195581655 /nfs/dbraw/zinc/58/16/55/1195581655.db2.gz VMTPEOYDTWYCDT-QYZOEREBSA-N 2 2 322.456 3.498 20 0 DGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001652361985 1195588643 /nfs/dbraw/zinc/58/86/43/1195588643.db2.gz UBSLBTWZTWDFMS-GGPKGHCWSA-N 2 2 317.521 3.217 20 0 DGADLP c1c[nH+]c(C2CC[NH+](CC3([C@H]4CCCCO4)CCC3)CC2)[nH]1 ZINC001652637428 1195630735 /nfs/dbraw/zinc/63/07/35/1195630735.db2.gz SZVOOEYLMLGEMG-MRXNPFEDSA-N 2 2 303.450 3.329 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000067439078 1195632415 /nfs/dbraw/zinc/63/24/15/1195632415.db2.gz SFDHBFWLRRSKNI-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000067439078 1195632420 /nfs/dbraw/zinc/63/24/20/1195632420.db2.gz SFDHBFWLRRSKNI-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CCCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000067693875 1195658400 /nfs/dbraw/zinc/65/84/00/1195658400.db2.gz BOUCEQAZWSOCME-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000067693875 1195658402 /nfs/dbraw/zinc/65/84/02/1195658402.db2.gz BOUCEQAZWSOCME-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)CC(C)(C)C)CC2)c1 ZINC001653329500 1195711161 /nfs/dbraw/zinc/71/11/61/1195711161.db2.gz LBYBDMOQUHYIQX-HNNXBMFYSA-N 2 2 305.466 3.285 20 0 DGADLP C[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001653532073 1195731283 /nfs/dbraw/zinc/73/12/83/1195731283.db2.gz BZTUMUSBKPVZQX-INIZCTEOSA-N 2 2 321.896 3.194 20 0 DGADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001653532073 1195731286 /nfs/dbraw/zinc/73/12/86/1195731286.db2.gz BZTUMUSBKPVZQX-INIZCTEOSA-N 2 2 321.896 3.194 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001654512146 1195811255 /nfs/dbraw/zinc/81/12/55/1195811255.db2.gz IMZIPTJWGQLWMJ-IRXDYDNUSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001654512146 1195811258 /nfs/dbraw/zinc/81/12/58/1195811258.db2.gz IMZIPTJWGQLWMJ-IRXDYDNUSA-N 2 2 302.466 3.124 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000069676953 1195811333 /nfs/dbraw/zinc/81/13/33/1195811333.db2.gz KMFMVLBFARQNTF-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001654512147 1195811866 /nfs/dbraw/zinc/81/18/66/1195811866.db2.gz IMZIPTJWGQLWMJ-SJORKVTESA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001654512147 1195811871 /nfs/dbraw/zinc/81/18/71/1195811871.db2.gz IMZIPTJWGQLWMJ-SJORKVTESA-N 2 2 302.466 3.124 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@H](O)C[N@@H+](C)CC ZINC001654866240 1195848548 /nfs/dbraw/zinc/84/85/48/1195848548.db2.gz JUPCBYRQTCRNKV-QGZVFWFLSA-N 2 2 310.482 3.120 20 0 DGADLP CCCC[N@@H+](Cc1c(C)oc(C)c1C)C[C@H](O)C[NH+](C)CC ZINC001654866240 1195848537 /nfs/dbraw/zinc/84/85/37/1195848537.db2.gz JUPCBYRQTCRNKV-QGZVFWFLSA-N 2 2 310.482 3.120 20 0 DGADLP CCCC[N@H+](Cc1c(C)oc(C)c1C)C[C@H](O)C[NH+](C)CC ZINC001654866240 1195848541 /nfs/dbraw/zinc/84/85/41/1195848541.db2.gz JUPCBYRQTCRNKV-QGZVFWFLSA-N 2 2 310.482 3.120 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@H](O)C[N@H+](C)CC ZINC001654866240 1195848544 /nfs/dbraw/zinc/84/85/44/1195848544.db2.gz JUPCBYRQTCRNKV-QGZVFWFLSA-N 2 2 310.482 3.120 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001655130133 1195880398 /nfs/dbraw/zinc/88/03/98/1195880398.db2.gz AGHJWQZWURWRGN-CVEARBPZSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001655130133 1195880401 /nfs/dbraw/zinc/88/04/01/1195880401.db2.gz AGHJWQZWURWRGN-CVEARBPZSA-N 2 2 305.466 3.387 20 0 DGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C[C@H]1CC1(C)C ZINC001655184478 1195887676 /nfs/dbraw/zinc/88/76/76/1195887676.db2.gz QEPWJWZPISNHFT-GOSISDBHSA-N 2 2 315.505 3.177 20 0 DGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C[C@H]1CC1(C)C ZINC001655184478 1195887680 /nfs/dbraw/zinc/88/76/80/1195887680.db2.gz QEPWJWZPISNHFT-GOSISDBHSA-N 2 2 315.505 3.177 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001655259565 1195896931 /nfs/dbraw/zinc/89/69/31/1195896931.db2.gz OLFKBYDSQQXJFO-NZSAHSFTSA-N 2 2 308.510 3.436 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001655396979 1195911799 /nfs/dbraw/zinc/91/17/99/1195911799.db2.gz ODLHGKHCITWJIG-DLBZAZTESA-N 2 2 321.465 3.155 20 0 DGADLP CN(C)c1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001655423671 1195915271 /nfs/dbraw/zinc/91/52/71/1195915271.db2.gz BWJVCECGNHSUIH-UHFFFAOYSA-N 2 2 306.413 3.228 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC001655564429 1195933509 /nfs/dbraw/zinc/93/35/09/1195933509.db2.gz JDQRLBYZPNBKEM-MRXNPFEDSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC001655564429 1195933512 /nfs/dbraw/zinc/93/35/12/1195933512.db2.gz JDQRLBYZPNBKEM-MRXNPFEDSA-N 2 2 310.445 3.058 20 0 DGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001655653728 1195945785 /nfs/dbraw/zinc/94/57/85/1195945785.db2.gz FNOGLKMJPCVVCU-LJQANCHMSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001655653728 1195945789 /nfs/dbraw/zinc/94/57/89/1195945789.db2.gz FNOGLKMJPCVVCU-LJQANCHMSA-N 2 2 320.440 3.317 20 0 DGADLP CN(CCC[NH+]1CCC(c2c[nH+]cn2C)CC1)c1ccccc1 ZINC001655908499 1195976398 /nfs/dbraw/zinc/97/63/98/1195976398.db2.gz YVCATDRWIZJNSY-UHFFFAOYSA-N 2 2 312.461 3.126 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001656148307 1196009923 /nfs/dbraw/zinc/00/99/23/1196009923.db2.gz CQXSJCVXPIEQHE-OAHLLOKOSA-N 2 2 308.441 3.436 20 0 DGADLP C[C@H](CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159544 1196011932 /nfs/dbraw/zinc/01/19/32/1196011932.db2.gz MWHTVLIFUUBAJE-WSTZPKSXSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159544 1196011935 /nfs/dbraw/zinc/01/19/35/1196011935.db2.gz MWHTVLIFUUBAJE-WSTZPKSXSA-N 2 2 315.505 3.286 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081494 1196102832 /nfs/dbraw/zinc/10/28/32/1196102832.db2.gz CLXWNEIQJBPIIJ-RBUKOAKNSA-N 2 2 315.505 3.113 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081494 1196102834 /nfs/dbraw/zinc/10/28/34/1196102834.db2.gz CLXWNEIQJBPIIJ-RBUKOAKNSA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@@H]1CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081494 1196102837 /nfs/dbraw/zinc/10/28/37/1196102837.db2.gz CLXWNEIQJBPIIJ-RBUKOAKNSA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@@H]1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081494 1196102839 /nfs/dbraw/zinc/10/28/39/1196102839.db2.gz CLXWNEIQJBPIIJ-RBUKOAKNSA-N 2 2 315.505 3.113 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@H]3OCc4ccccc43)c2)c[nH+]1 ZINC001657140327 1196109988 /nfs/dbraw/zinc/10/99/88/1196109988.db2.gz POYQRDXQWVUISL-QGZVFWFLSA-N 2 2 311.410 3.295 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226808 1196120681 /nfs/dbraw/zinc/12/06/81/1196120681.db2.gz GVVGJGDHHAPQME-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226808 1196120684 /nfs/dbraw/zinc/12/06/84/1196120684.db2.gz GVVGJGDHHAPQME-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226808 1196120687 /nfs/dbraw/zinc/12/06/87/1196120687.db2.gz GVVGJGDHHAPQME-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226808 1196120688 /nfs/dbraw/zinc/12/06/88/1196120688.db2.gz GVVGJGDHHAPQME-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP CCO[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001657286290 1196126526 /nfs/dbraw/zinc/12/65/26/1196126526.db2.gz NZWUVQFSFDHQRL-OALUTQOASA-N 2 2 316.489 3.023 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C2 ZINC001657807617 1196179867 /nfs/dbraw/zinc/17/98/67/1196179867.db2.gz URZNYYAKZFPACK-INIZCTEOSA-N 2 2 302.462 3.017 20 0 DGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1O ZINC001657876676 1196189882 /nfs/dbraw/zinc/18/98/82/1196189882.db2.gz JDFCXXNVMOIJMC-KRWDZBQOSA-N 2 2 323.396 3.128 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1Br ZINC001657942927 1196195718 /nfs/dbraw/zinc/19/57/18/1196195718.db2.gz KOAZUPNCVNSPAA-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1Br ZINC001657942927 1196195720 /nfs/dbraw/zinc/19/57/20/1196195720.db2.gz KOAZUPNCVNSPAA-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1Br ZINC001657942927 1196195721 /nfs/dbraw/zinc/19/57/21/1196195721.db2.gz KOAZUPNCVNSPAA-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1Br ZINC001657942927 1196195722 /nfs/dbraw/zinc/19/57/22/1196195722.db2.gz KOAZUPNCVNSPAA-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP CCn1nc(C[NH2+][C@@H](C)CC[NH+](CC)CC)c2ccccc21 ZINC001658185818 1196222454 /nfs/dbraw/zinc/22/24/54/1196222454.db2.gz IBSWBSVRCQDBEE-HNNXBMFYSA-N 2 2 302.466 3.266 20 0 DGADLP Cc1cc(C)c(/C=C/C[N@@H+](CCO)C2CC[NH+](C)CC2)c(C)c1 ZINC001658201946 1196225240 /nfs/dbraw/zinc/22/52/40/1196225240.db2.gz KUEGYXQQIPDXQU-AATRIKPKSA-N 2 2 316.489 3.014 20 0 DGADLP Cc1cc(C)c(/C=C/C[N@H+](CCO)C2CC[NH+](C)CC2)c(C)c1 ZINC001658201946 1196225243 /nfs/dbraw/zinc/22/52/43/1196225243.db2.gz KUEGYXQQIPDXQU-AATRIKPKSA-N 2 2 316.489 3.014 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2cnc3ccccn23)c2ccccc2)c[nH+]1 ZINC001658487599 1196263765 /nfs/dbraw/zinc/26/37/65/1196263765.db2.gz IWNZQWFTGVDNPD-SFHVURJKSA-N 2 2 317.396 3.062 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1COc2ccccc2C1 ZINC001658550645 1196273896 /nfs/dbraw/zinc/27/38/96/1196273896.db2.gz VHNXXOQTGVRNTL-SCTDSRPQSA-N 2 2 316.489 3.336 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc2c1OCCCO2 ZINC001658785939 1196301022 /nfs/dbraw/zinc/30/10/22/1196301022.db2.gz FFFWOXPGILBJHH-HNNXBMFYSA-N 2 2 306.450 3.058 20 0 DGADLP CC[C@@H]1CCC[C@H](C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC001658932149 1196321297 /nfs/dbraw/zinc/32/12/97/1196321297.db2.gz WCVPPXMDSBHQCV-SJORKVTESA-N 2 2 317.477 3.429 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001659652483 1196402783 /nfs/dbraw/zinc/40/27/83/1196402783.db2.gz GWKNZFBEPRRYOZ-QGZVFWFLSA-N 2 2 316.489 3.264 20 0 DGADLP CCCC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCC1 ZINC001659711372 1196407804 /nfs/dbraw/zinc/40/78/04/1196407804.db2.gz SMGGADDOXSBVEI-GOSISDBHSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000075784201 1196420833 /nfs/dbraw/zinc/42/08/33/1196420833.db2.gz RHRKBOQUNOEMGY-MRXNPFEDSA-N 2 2 322.412 3.035 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659854903 1196422159 /nfs/dbraw/zinc/42/21/59/1196422159.db2.gz KHXKEJOVPFOQPG-YQVWRLOYSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659854903 1196422165 /nfs/dbraw/zinc/42/21/65/1196422165.db2.gz KHXKEJOVPFOQPG-YQVWRLOYSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001660160353 1196452760 /nfs/dbraw/zinc/45/27/60/1196452760.db2.gz FSGLQSQXWKUSDA-CQSZACIVSA-N 2 2 321.428 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001660160353 1196452762 /nfs/dbraw/zinc/45/27/62/1196452762.db2.gz FSGLQSQXWKUSDA-CQSZACIVSA-N 2 2 321.428 3.098 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[NH+]1CCCCC1 ZINC001661070650 1196561990 /nfs/dbraw/zinc/56/19/90/1196561990.db2.gz OSXHKQIROCWLAC-NEWSRXKRSA-N 2 2 308.510 3.436 20 0 DGADLP Cc1nn2c(C[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)nc2s1 ZINC001661656968 1196628717 /nfs/dbraw/zinc/62/87/17/1196628717.db2.gz NYAUFPILLGRFNM-UHFFFAOYSA-N 2 2 323.510 3.006 20 0 DGADLP CCc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC001661975516 1196667891 /nfs/dbraw/zinc/66/78/91/1196667891.db2.gz NXQMZFYAAKTJON-IBGZPJMESA-N 2 2 324.472 3.396 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001662867096 1196764358 /nfs/dbraw/zinc/76/43/58/1196764358.db2.gz FUUVNSKAKFTBHY-QFBILLFUSA-N 2 2 316.489 3.263 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001663718624 1196933308 /nfs/dbraw/zinc/93/33/08/1196933308.db2.gz ZVLKRNLYSIJUQD-ZWKOTPCHSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001663718624 1196933312 /nfs/dbraw/zinc/93/33/12/1196933312.db2.gz ZVLKRNLYSIJUQD-ZWKOTPCHSA-N 2 2 318.509 3.380 20 0 DGADLP CC[NH+]1CCC(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC001664600684 1197019689 /nfs/dbraw/zinc/01/96/89/1197019689.db2.gz MQGLIYWOWPLZJM-UHFFFAOYSA-N 3 2 318.509 3.107 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC001665926266 1197217236 /nfs/dbraw/zinc/21/72/36/1197217236.db2.gz OXXBTCHAPYSOEZ-UHFFFAOYSA-N 2 2 312.442 3.409 20 0 DGADLP CCC[NH+]1CCC(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001666371416 1197256234 /nfs/dbraw/zinc/25/62/34/1197256234.db2.gz WPXTZGVUHSMDOC-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CCN(CC[NH2+]CCC(C)(C)C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001668502091 1197416896 /nfs/dbraw/zinc/41/68/96/1197416896.db2.gz CYVZDNDQBLIZHL-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)co2)cc1 ZINC000324007045 1197692719 /nfs/dbraw/zinc/69/27/19/1197692719.db2.gz NFBSHKLNWUIIPS-QFBILLFUSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)co2)cc1 ZINC000324007045 1197692722 /nfs/dbraw/zinc/69/27/22/1197692722.db2.gz NFBSHKLNWUIIPS-QFBILLFUSA-N 2 2 311.429 3.211 20 0 DGADLP COc1c(C)c[nH+]c(CN2C[C@@H](C)[NH2+]Cc3ccccc32)c1C ZINC000391280377 1197714760 /nfs/dbraw/zinc/71/47/60/1197714760.db2.gz HOCDKXSZUQRZEJ-CQSZACIVSA-N 2 2 311.429 3.205 20 0 DGADLP c1nc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)sc1-c1ccccc1 ZINC000092369185 1198564540 /nfs/dbraw/zinc/56/45/40/1198564540.db2.gz HLJBDQWXFQAFPI-CQSZACIVSA-N 2 2 313.470 3.384 20 0 DGADLP c1nc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)sc1-c1ccccc1 ZINC000092369185 1198564544 /nfs/dbraw/zinc/56/45/44/1198564544.db2.gz HLJBDQWXFQAFPI-CQSZACIVSA-N 2 2 313.470 3.384 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112709783 1199121243 /nfs/dbraw/zinc/12/12/43/1199121243.db2.gz ZRJZYOIISSMPBF-NSHDSACASA-N 2 2 318.795 3.373 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112709783 1199121250 /nfs/dbraw/zinc/12/12/50/1199121250.db2.gz ZRJZYOIISSMPBF-NSHDSACASA-N 2 2 318.795 3.373 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000111925634 1199638153 /nfs/dbraw/zinc/63/81/53/1199638153.db2.gz JOPVRESZRLSDDU-QGZVFWFLSA-N 2 2 310.441 3.307 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000111925634 1199638159 /nfs/dbraw/zinc/63/81/59/1199638159.db2.gz JOPVRESZRLSDDU-QGZVFWFLSA-N 2 2 310.441 3.307 20 0 DGADLP C([NH2+]C1CCSCC1)C1([NH+]2CCSCC2)CCCCC1 ZINC000112203935 1199645890 /nfs/dbraw/zinc/64/58/90/1199645890.db2.gz ODURCENJXUHNND-UHFFFAOYSA-N 2 2 314.564 3.223 20 0 DGADLP COCc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000125120510 1200361360 /nfs/dbraw/zinc/36/13/60/1200361360.db2.gz JUNRCXUKWSJBIQ-CQSZACIVSA-N 2 2 311.385 3.463 20 0 DGADLP CC(C)CCC[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001690848427 1200749057 /nfs/dbraw/zinc/74/90/57/1200749057.db2.gz BVCLBFNWOBOFGX-CQSZACIVSA-N 2 2 316.449 3.097 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755597306 1200977096 /nfs/dbraw/zinc/97/70/96/1200977096.db2.gz UWCHYVPLWDPECV-OAHLLOKOSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000131027623 1201095260 /nfs/dbraw/zinc/09/52/60/1201095260.db2.gz YOVOEKXALIWTFM-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001699583197 1201958024 /nfs/dbraw/zinc/95/80/24/1201958024.db2.gz IOKFSNZCJKBWBK-YVEFUNNKSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001700409352 1202264966 /nfs/dbraw/zinc/26/49/66/1202264966.db2.gz OOFTXNLKXMHFOK-CABCVRRESA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001700904238 1202368282 /nfs/dbraw/zinc/36/82/82/1202368282.db2.gz YQAJSFYPRNUBIU-DLBZAZTESA-N 2 2 317.477 3.151 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)sc2C1 ZINC000152901895 1202595400 /nfs/dbraw/zinc/59/54/00/1202595400.db2.gz MOPZLFSPBRWPJL-RDBSUJKOSA-N 2 2 307.507 3.230 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152901607 1202595468 /nfs/dbraw/zinc/59/54/68/1202595468.db2.gz OJZOYRYJXIJZLJ-NEPJUHHUSA-N 2 2 301.356 3.063 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000156424900 1202600625 /nfs/dbraw/zinc/60/06/25/1202600625.db2.gz NAJSFOUHCQLLHJ-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP CC(C)CC[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236725163 1202622227 /nfs/dbraw/zinc/62/22/27/1202622227.db2.gz FAFWLGXWLLHSMT-UHFFFAOYSA-N 2 2 317.521 3.220 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000236963751 1202638541 /nfs/dbraw/zinc/63/85/41/1202638541.db2.gz MCSAJWMFEBSJCY-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000236963751 1202638542 /nfs/dbraw/zinc/63/85/42/1202638542.db2.gz MCSAJWMFEBSJCY-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000237749227 1202694863 /nfs/dbraw/zinc/69/48/63/1202694863.db2.gz RJWKKWMLXYDZOK-GJZGRUSLSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237749227 1202694864 /nfs/dbraw/zinc/69/48/64/1202694864.db2.gz RJWKKWMLXYDZOK-GJZGRUSLSA-N 2 2 314.351 3.302 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]([NH2+]C(C)C)C(C)C)c(C)[nH+]1 ZINC001717720722 1203704296 /nfs/dbraw/zinc/70/42/96/1203704296.db2.gz XPJGXKQCUQSZEH-MRXNPFEDSA-N 2 2 305.466 3.149 20 0 DGADLP CC/C=C\CC[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732350969 1204801444 /nfs/dbraw/zinc/80/14/44/1204801444.db2.gz DMRPKNBWEGMVCJ-DANTVBBOSA-N 2 2 317.477 3.319 20 0 DGADLP CCCCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001733176885 1205034163 /nfs/dbraw/zinc/03/41/63/1205034163.db2.gz FHFQUDDASSJDDM-QGZVFWFLSA-N 2 2 317.477 3.295 20 0 DGADLP CCC(CC)C[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266301509 1081647364 /nfs/dbraw/zinc/64/73/64/1081647364.db2.gz SWQMGHTVPUEXDH-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CCC(CC)C[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266301509 1081647366 /nfs/dbraw/zinc/64/73/66/1081647366.db2.gz SWQMGHTVPUEXDH-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC001648902968 1081958032 /nfs/dbraw/zinc/95/80/32/1081958032.db2.gz DOIGIWUBQZHJLY-UHFFFAOYSA-N 2 2 315.348 3.211 20 0 DGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001170064453 1081980318 /nfs/dbraw/zinc/98/03/18/1081980318.db2.gz OQXLFOIKQWPAIT-NEWSRXKRSA-N 2 2 303.494 3.003 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C)C3)CC2)c1 ZINC001170111831 1082111940 /nfs/dbraw/zinc/11/19/40/1082111940.db2.gz FJGPNVPHSKBRNF-YJBOKZPZSA-N 2 2 302.462 3.438 20 0 DGADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001170206676 1082311502 /nfs/dbraw/zinc/31/15/02/1082311502.db2.gz ABCAGPHXLCDCMT-QZTJIDSGSA-N 2 2 306.494 3.284 20 0 DGADLP CC[C@@H]1C[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCO1 ZINC001170206676 1082311507 /nfs/dbraw/zinc/31/15/07/1082311507.db2.gz ABCAGPHXLCDCMT-QZTJIDSGSA-N 2 2 306.494 3.284 20 0 DGADLP Cc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)c2c([nH+]1)CCCC2 ZINC001167624776 1082618145 /nfs/dbraw/zinc/61/81/45/1082618145.db2.gz AZIUFYBEKQEJFH-UHFFFAOYSA-N 2 2 302.466 3.149 20 0 DGADLP Cc1nc(N2CCC[C@](C)(C[NH3+])C2)cc(C2CCCCC2)[nH+]1 ZINC001158679424 1082963416 /nfs/dbraw/zinc/96/34/16/1082963416.db2.gz WKKHJJSTVNNCBX-GOSISDBHSA-N 2 2 302.466 3.398 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001170676964 1083086610 /nfs/dbraw/zinc/08/66/10/1083086610.db2.gz KEUOBKFYJOKPAV-SJORKVTESA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001170676964 1083086613 /nfs/dbraw/zinc/08/66/13/1083086613.db2.gz KEUOBKFYJOKPAV-SJORKVTESA-N 2 2 320.427 3.286 20 0 DGADLP Cc1nc(N2CCC3(C[NH2+]C3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001159043408 1083228350 /nfs/dbraw/zinc/22/83/50/1083228350.db2.gz YTJDSKKPOAIIIM-UHFFFAOYSA-N 2 2 300.450 3.023 20 0 DGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC1CCCC1 ZINC001267813448 1083363697 /nfs/dbraw/zinc/36/36/97/1083363697.db2.gz STMIMXVUZDEQNG-QGZVFWFLSA-N 2 2 317.477 3.295 20 0 DGADLP CSc1c[nH]c2nc[nH+]c(NCCC[N@@H+]3CCCC[C@H]3C)c12 ZINC001167751063 1083618883 /nfs/dbraw/zinc/61/88/83/1083618883.db2.gz HDXSSZFQNJRTFA-GFCCVEGCSA-N 2 2 319.478 3.308 20 0 DGADLP CSc1c[nH]c2nc[nH+]c(NCCC[N@H+]3CCCC[C@H]3C)c12 ZINC001167751063 1083618890 /nfs/dbraw/zinc/61/88/90/1083618890.db2.gz HDXSSZFQNJRTFA-GFCCVEGCSA-N 2 2 319.478 3.308 20 0 DGADLP CCCCC[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267995091 1083709030 /nfs/dbraw/zinc/70/90/30/1083709030.db2.gz BUUMVNVUBJZKIJ-ZDUSSCGKSA-N 2 2 305.466 3.153 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC001182545983 1083750783 /nfs/dbraw/zinc/75/07/83/1083750783.db2.gz YSLNSCOZBUYWCH-CABCVRRESA-N 2 2 306.475 3.004 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC001182545983 1083750795 /nfs/dbraw/zinc/75/07/95/1083750795.db2.gz YSLNSCOZBUYWCH-CABCVRRESA-N 2 2 306.475 3.004 20 0 DGADLP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183378842 1083942114 /nfs/dbraw/zinc/94/21/14/1083942114.db2.gz GFZCOPDYELUALP-QGZVFWFLSA-N 2 2 324.509 3.353 20 0 DGADLP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183378842 1083942122 /nfs/dbraw/zinc/94/21/22/1083942122.db2.gz GFZCOPDYELUALP-QGZVFWFLSA-N 2 2 324.509 3.353 20 0 DGADLP CCc1cc(NCC2([NH+](C)C)Cc3ccccc3C2)nc(CC)[nH+]1 ZINC001185488299 1084454730 /nfs/dbraw/zinc/45/47/30/1084454730.db2.gz JCICFYFWVQAEGA-UHFFFAOYSA-N 2 2 324.472 3.113 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268650973 1084916565 /nfs/dbraw/zinc/91/65/65/1084916565.db2.gz GGKSGPTYEILJOQ-KGLIPLIRSA-N 2 2 322.412 3.032 20 0 DGADLP Clc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167972892 1085911881 /nfs/dbraw/zinc/91/18/81/1085911881.db2.gz DMLDWBIULIUECS-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP Clc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972892 1085911892 /nfs/dbraw/zinc/91/18/92/1085911892.db2.gz DMLDWBIULIUECS-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP CCN1CC[C@@H]([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033424 1086472830 /nfs/dbraw/zinc/47/28/30/1086472830.db2.gz LMBMFXASXARFNB-JENIJYKNSA-N 2 2 315.505 3.112 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001205009424 1086529468 /nfs/dbraw/zinc/52/94/68/1086529468.db2.gz SCLVPMDLYPOGPR-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001205009424 1086529475 /nfs/dbraw/zinc/52/94/75/1086529475.db2.gz SCLVPMDLYPOGPR-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[C@H]1CC([N@@H+]2CCCC23COC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055929 1086622322 /nfs/dbraw/zinc/62/23/22/1086622322.db2.gz YMHIQFMKZDCCJY-IRXDYDNUSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1CC([N@H+]2CCCC23COC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055929 1086622323 /nfs/dbraw/zinc/62/23/23/1086622323.db2.gz YMHIQFMKZDCCJY-IRXDYDNUSA-N 2 2 314.473 3.293 20 0 DGADLP CC(=O)[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168056609 1086626326 /nfs/dbraw/zinc/62/63/26/1086626326.db2.gz GQVYCQSWIZJFIY-GPMSIDNRSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168056609 1086626330 /nfs/dbraw/zinc/62/63/30/1086626330.db2.gz GQVYCQSWIZJFIY-GPMSIDNRSA-N 2 2 314.473 3.339 20 0 DGADLP C[C@H]1CC([N@H+](C)Cc2cncnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064072 1086651110 /nfs/dbraw/zinc/65/11/10/1086651110.db2.gz IMFISHXGARPXMU-IRXDYDNUSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@H]1CC([N@@H+](C)Cc2cncnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064072 1086651115 /nfs/dbraw/zinc/65/11/15/1086651115.db2.gz IMFISHXGARPXMU-IRXDYDNUSA-N 2 2 324.472 3.350 20 0 DGADLP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001088350808 1086847320 /nfs/dbraw/zinc/84/73/20/1086847320.db2.gz IWFWDQLYWOQZFH-QGZVFWFLSA-N 2 2 317.477 3.391 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143102 1086982812 /nfs/dbraw/zinc/98/28/12/1086982812.db2.gz HBMGSHDQJXGDSU-BEFAXECRSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143102 1086982817 /nfs/dbraw/zinc/98/28/17/1086982817.db2.gz HBMGSHDQJXGDSU-BEFAXECRSA-N 2 2 320.452 3.289 20 0 DGADLP CCCCC[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001272067789 1087053702 /nfs/dbraw/zinc/05/37/02/1087053702.db2.gz NGOCLFNFCONNIY-UHFFFAOYSA-N 2 2 305.466 3.201 20 0 DGADLP CCCCC[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001272067789 1087053705 /nfs/dbraw/zinc/05/37/05/1087053705.db2.gz NGOCLFNFCONNIY-UHFFFAOYSA-N 2 2 305.466 3.201 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)C2CCC(C)CC2)cc[nH+]1 ZINC001168224391 1087062523 /nfs/dbraw/zinc/06/25/23/1087062523.db2.gz NNIGOMQLRUXKLB-UHFFFAOYSA-N 2 2 303.450 3.227 20 0 DGADLP C[C@H]1C(=O)CC[N@H+](C2CC[NH+](CC3CC3)CC2)C12CCCC2 ZINC001168395387 1087552118 /nfs/dbraw/zinc/55/21/18/1087552118.db2.gz YIRGCXJNZIRVAT-HNNXBMFYSA-N 2 2 304.478 3.085 20 0 DGADLP C[C@H]1C(=O)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C12CCCC2 ZINC001168395387 1087552121 /nfs/dbraw/zinc/55/21/21/1087552121.db2.gz YIRGCXJNZIRVAT-HNNXBMFYSA-N 2 2 304.478 3.085 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168421810 1087609148 /nfs/dbraw/zinc/60/91/48/1087609148.db2.gz TWCOVFIVDFNQLE-WOJBJXKFSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168421810 1087609151 /nfs/dbraw/zinc/60/91/51/1087609151.db2.gz TWCOVFIVDFNQLE-WOJBJXKFSA-N 2 2 310.416 3.069 20 0 DGADLP Cc1cccc2c(C)cc(NCc3ncn4c3C[NH2+]CCC4)[nH+]c12 ZINC001158356625 1087792226 /nfs/dbraw/zinc/79/22/26/1087792226.db2.gz XFOFKOVADLDVOJ-UHFFFAOYSA-N 2 2 321.428 3.154 20 0 DGADLP Cc1nc(N(C2CCCC2)C2CC[NH+](C)CC2)c2c([nH+]1)CCC2 ZINC001158487730 1087860471 /nfs/dbraw/zinc/86/04/71/1087860471.db2.gz OQLIUCHIEYDCJW-UHFFFAOYSA-N 2 2 314.477 3.117 20 0 DGADLP Clc1ccc2[nH]c3nc[nH+]c(NCC[C@H]4CCC[NH2+]4)c3c2c1 ZINC001158627861 1087951431 /nfs/dbraw/zinc/95/14/31/1087951431.db2.gz XSMCQRIIEIAGQQ-LLVKDONJSA-N 2 2 315.808 3.319 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001205117509 1088008038 /nfs/dbraw/zinc/00/80/38/1088008038.db2.gz PRUNWJKTJHNMES-AWEZNQCLSA-N 2 2 305.422 3.262 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001205117509 1088008057 /nfs/dbraw/zinc/00/80/57/1088008057.db2.gz PRUNWJKTJHNMES-AWEZNQCLSA-N 2 2 305.422 3.262 20 0 DGADLP CC(C)[NH2+]c1ccc(Nc2cccnc2N2CC[NH2+]CC2)cc1 ZINC001159186832 1088224118 /nfs/dbraw/zinc/22/41/18/1088224118.db2.gz MSVNXUPSSVKEMV-UHFFFAOYSA-N 2 2 311.433 3.055 20 0 DGADLP Cc1c(F)ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1F ZINC001159262352 1088259863 /nfs/dbraw/zinc/25/98/63/1088259863.db2.gz VIPJPTVKPVJWFV-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP Cc1cc(C)c(Nc2cccnc2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001159295756 1088276516 /nfs/dbraw/zinc/27/65/16/1088276516.db2.gz NYSWOSFTJHVTNP-UHFFFAOYSA-N 2 2 312.417 3.215 20 0 DGADLP Cc1cc(Nc2cccc(C3CCC3)[nH+]2)cnc1N1CC[NH2+]CC1 ZINC001159365875 1088321033 /nfs/dbraw/zinc/32/10/33/1088321033.db2.gz OXXRYQWSGNQGTN-UHFFFAOYSA-N 2 2 323.444 3.206 20 0 DGADLP COc1cc[nH+]cc1Nc1cnccc1[C@@H]1C[C@@H](C)C[C@@H]([NH3+])C1 ZINC001159387169 1088329865 /nfs/dbraw/zinc/32/98/65/1088329865.db2.gz AKMJZFFLQSLSTI-MGPQQGTHSA-N 2 2 312.417 3.460 20 0 DGADLP Cc1c[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1NC1CC1 ZINC001159392029 1088332239 /nfs/dbraw/zinc/33/22/39/1088332239.db2.gz WIPPJTWZLOSAAG-UHFFFAOYSA-N 2 2 317.481 3.423 20 0 DGADLP Cc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c2c([nH+]1)CCC2 ZINC001159395402 1088332781 /nfs/dbraw/zinc/33/27/81/1088332781.db2.gz GYOKFDGYJARNSK-UHFFFAOYSA-N 2 2 302.466 3.337 20 0 DGADLP COc1ccc2c(Nc3cc[nH+]c(NC(C)=O)c3)cc[nH+]c2c1 ZINC001203523534 1088432867 /nfs/dbraw/zinc/43/28/67/1088432867.db2.gz RINHKIVBLKLRMP-UHFFFAOYSA-N 2 2 308.341 3.340 20 0 DGADLP c1ccc(N2CC[NH2+]CC2)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001159813062 1088501426 /nfs/dbraw/zinc/50/14/26/1088501426.db2.gz PXWUIZLFENPJSZ-UHFFFAOYSA-N 2 2 304.397 3.388 20 0 DGADLP c1c[nH+]c(-c2ccc(Nc3ccccc3N3CC[NH2+]CC3)cc2)[nH]1 ZINC001159814465 1088502608 /nfs/dbraw/zinc/50/26/08/1088502608.db2.gz PLGMRJYQHFOLRD-UHFFFAOYSA-N 2 2 319.412 3.230 20 0 DGADLP Cc1c[nH+]cc(N(CC2CC[NH2+]CC2)c2ccccc2N)c1C ZINC001159896362 1088537997 /nfs/dbraw/zinc/53/79/97/1088537997.db2.gz XIDOGVCAXFKYNY-UHFFFAOYSA-N 2 2 310.445 3.418 20 0 DGADLP c1cc(O[C@@H]2CC[NH2+]C2)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001159920163 1088551248 /nfs/dbraw/zinc/55/12/48/1088551248.db2.gz WSZJHOXRKXLHJO-GOSISDBHSA-N 2 2 324.428 3.166 20 0 DGADLP Cc1c[nH+]cc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1C ZINC001160141635 1088667019 /nfs/dbraw/zinc/66/70/19/1088667019.db2.gz JMWICJMKGYEQHE-CQSZACIVSA-N 2 2 301.365 3.322 20 0 DGADLP [NH3+][C@H]1CCC[C@H](Nc2cc(-c3ccnc(Cl)c3)cc[nH+]2)C1 ZINC001154975065 1088862503 /nfs/dbraw/zinc/86/25/03/1088862503.db2.gz GTYCKYJVLNQJAE-KBPBESRZSA-N 2 2 302.809 3.479 20 0 DGADLP CCCN(CCC)c1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]cn1 ZINC001155030369 1088907008 /nfs/dbraw/zinc/90/70/08/1088907008.db2.gz JOPWGZVZDZGHLX-HOTGVXAUSA-N 2 2 319.497 3.151 20 0 DGADLP CCCN(CCC)c1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc[nH+]1 ZINC001155030369 1088907033 /nfs/dbraw/zinc/90/70/33/1088907033.db2.gz JOPWGZVZDZGHLX-HOTGVXAUSA-N 2 2 319.497 3.151 20 0 DGADLP C[C@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001160990088 1089061563 /nfs/dbraw/zinc/06/15/63/1089061563.db2.gz DDMDJVFZOTUAIV-AWEZNQCLSA-N 2 2 322.412 3.034 20 0 DGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522538 1089144027 /nfs/dbraw/zinc/14/40/27/1089144027.db2.gz XFKHEEOOKXFHJN-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522538 1089144039 /nfs/dbraw/zinc/14/40/39/1089144039.db2.gz XFKHEEOOKXFHJN-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC001156387357 1089499862 /nfs/dbraw/zinc/49/98/62/1089499862.db2.gz DVGALCSENMTVDO-MRXNPFEDSA-N 2 2 319.497 3.247 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC001156387357 1089499869 /nfs/dbraw/zinc/49/98/69/1089499869.db2.gz DVGALCSENMTVDO-MRXNPFEDSA-N 2 2 319.497 3.247 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC001156387357 1089499875 /nfs/dbraw/zinc/49/98/75/1089499875.db2.gz DVGALCSENMTVDO-MRXNPFEDSA-N 2 2 319.497 3.247 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC001156387357 1089499880 /nfs/dbraw/zinc/49/98/80/1089499880.db2.gz DVGALCSENMTVDO-MRXNPFEDSA-N 2 2 319.497 3.247 20 0 DGADLP CCC[NH2+]C1(CC)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001484814874 1089691257 /nfs/dbraw/zinc/69/12/57/1089691257.db2.gz UTICOCZMAZCYDB-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP COc1ccc2c(C)cc(NCc3ccc(N)[nH+]c3C)[nH+]c2c1 ZINC001156981319 1089776594 /nfs/dbraw/zinc/77/65/94/1089776594.db2.gz ZQRAQLWJRCZKTQ-UHFFFAOYSA-N 2 2 308.385 3.450 20 0 DGADLP Cc1nc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c2c([nH+]1)CCC2 ZINC001157436358 1089966374 /nfs/dbraw/zinc/96/63/74/1089966374.db2.gz XBEBFEPCMCYBPP-KRWDZBQOSA-N 2 2 322.456 3.032 20 0 DGADLP [NH3+][C@H]1Cc2ccccc2N(c2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001162853301 1089993198 /nfs/dbraw/zinc/99/31/98/1089993198.db2.gz GWCJVCPQXCVWQM-AWEZNQCLSA-N 2 2 308.360 3.033 20 0 DGADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1ccc2c([nH+]1)CCCC2 ZINC001162876965 1090002154 /nfs/dbraw/zinc/00/21/54/1090002154.db2.gz XMRMQBUJJJUKRR-KRWDZBQOSA-N 2 2 317.477 3.119 20 0 DGADLP CCC/C=C/CC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910844 1090021514 /nfs/dbraw/zinc/02/15/14/1090021514.db2.gz ZQQMKJAKKOELSE-BQYQJAHWSA-N 2 2 317.477 3.463 20 0 DGADLP Cc1ccc2cc[nH+]c(Nc3ccc([C@@H](C[NH3+])CO)cc3)c2c1 ZINC001163053689 1090064052 /nfs/dbraw/zinc/06/40/52/1090064052.db2.gz UAPUEOBMKDYATC-INIZCTEOSA-N 2 2 307.397 3.321 20 0 DGADLP Cc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1[NH+](C)C ZINC001163063736 1090067866 /nfs/dbraw/zinc/06/78/66/1090067866.db2.gz KYAJRBNRURHTJD-MRXNPFEDSA-N 2 2 312.461 3.084 20 0 DGADLP COc1cccc([C@@H](C[NH3+])Nc2cc(C)[nH+]c(C(C)C)n2)c1 ZINC001163309669 1090146379 /nfs/dbraw/zinc/14/63/79/1090146379.db2.gz OPJWEIPCFYYUHE-OAHLLOKOSA-N 2 2 300.406 3.029 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2ccc(Br)cc12 ZINC001236865795 1090156617 /nfs/dbraw/zinc/15/66/17/1090156617.db2.gz PTUMQAFENIGBMK-LBPRGKRZSA-N 2 2 310.239 3.100 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2ccc(Br)cc12 ZINC001236865795 1090156623 /nfs/dbraw/zinc/15/66/23/1090156623.db2.gz PTUMQAFENIGBMK-LBPRGKRZSA-N 2 2 310.239 3.100 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001163361064 1090161551 /nfs/dbraw/zinc/16/15/51/1090161551.db2.gz GPTVCSIVHAYLBF-UKRRQHHQSA-N 2 2 319.449 3.016 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163361064 1090161557 /nfs/dbraw/zinc/16/15/57/1090161557.db2.gz GPTVCSIVHAYLBF-UKRRQHHQSA-N 2 2 319.449 3.016 20 0 DGADLP CCCN(CC[NH+]1CCCCCC1)c1cc(CC)[nH+]c(C)n1 ZINC001163437747 1090186528 /nfs/dbraw/zinc/18/65/28/1090186528.db2.gz WEJYAVCLDHFVGM-UHFFFAOYSA-N 2 2 304.482 3.440 20 0 DGADLP CCOc1cc[nH+]c(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC001163844833 1090271717 /nfs/dbraw/zinc/27/17/17/1090271717.db2.gz DMBLCSZBQLEWAA-RMKNXTFCSA-N 2 2 323.440 3.316 20 0 DGADLP Cc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001164443521 1090423313 /nfs/dbraw/zinc/42/33/13/1090423313.db2.gz QUQLVWIISNPZLN-UHFFFAOYSA-N 2 2 324.472 3.405 20 0 DGADLP Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001165083593 1090461905 /nfs/dbraw/zinc/46/19/05/1090461905.db2.gz YQUFSWAGTJZGOH-MOPGFXCFSA-N 2 2 322.456 3.113 20 0 DGADLP Cc1nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001165083593 1090461907 /nfs/dbraw/zinc/46/19/07/1090461907.db2.gz YQUFSWAGTJZGOH-MOPGFXCFSA-N 2 2 322.456 3.113 20 0 DGADLP CC[C@H](c1ccccc1)N(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165160931 1090473061 /nfs/dbraw/zinc/47/30/61/1090473061.db2.gz XYLDIXRBACLLFJ-GOSISDBHSA-N 2 2 324.472 3.421 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168587011 1090589096 /nfs/dbraw/zinc/58/90/96/1090589096.db2.gz UTOIYNBFVITVRS-IEBWSBKVSA-N 2 2 320.477 3.237 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168587011 1090589098 /nfs/dbraw/zinc/58/90/98/1090589098.db2.gz UTOIYNBFVITVRS-IEBWSBKVSA-N 2 2 320.477 3.237 20 0 DGADLP CCCCSCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116114639 1090627579 /nfs/dbraw/zinc/62/75/79/1090627579.db2.gz YEIOZFHKEUUAQG-UHFFFAOYSA-N 2 2 318.446 3.438 20 0 DGADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001203743199 1090794305 /nfs/dbraw/zinc/79/43/05/1090794305.db2.gz NMSDOOUEBGNTIX-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001203743199 1090794311 /nfs/dbraw/zinc/79/43/11/1090794311.db2.gz NMSDOOUEBGNTIX-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001203743199 1090794317 /nfs/dbraw/zinc/79/43/17/1090794317.db2.gz NMSDOOUEBGNTIX-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001203743199 1090794321 /nfs/dbraw/zinc/79/43/21/1090794321.db2.gz NMSDOOUEBGNTIX-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1[nH+]cn([C@H]2Cc3cccc(Cl)c3C2)c1CSCC[NH3+] ZINC001168690191 1090804361 /nfs/dbraw/zinc/80/43/61/1090804361.db2.gz JHGCCMZMPTVINJ-ZDUSSCGKSA-N 2 2 321.877 3.377 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1O ZINC001203869340 1090824425 /nfs/dbraw/zinc/82/44/25/1090824425.db2.gz WPUHLONBQCMULP-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1O ZINC001203869340 1090824427 /nfs/dbraw/zinc/82/44/27/1090824427.db2.gz WPUHLONBQCMULP-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1O ZINC001203869339 1090824520 /nfs/dbraw/zinc/82/45/20/1090824520.db2.gz WPUHLONBQCMULP-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1O ZINC001203869339 1090824522 /nfs/dbraw/zinc/82/45/22/1090824522.db2.gz WPUHLONBQCMULP-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(C)s3)CC2)CC1 ZINC001204035744 1090878104 /nfs/dbraw/zinc/87/81/04/1090878104.db2.gz SFACODWDOXBGPF-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc[nH]c1C(C)C ZINC001117137752 1090927056 /nfs/dbraw/zinc/92/70/56/1090927056.db2.gz NYKPEYWTKCKVKS-UHFFFAOYSA-N 2 2 309.373 3.280 20 0 DGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)c1C ZINC001204267499 1090937381 /nfs/dbraw/zinc/93/73/81/1090937381.db2.gz TWIZYBJLHJPBFQ-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)c1C ZINC001204267499 1090937387 /nfs/dbraw/zinc/93/73/87/1090937387.db2.gz TWIZYBJLHJPBFQ-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1C ZINC001204351214 1090954140 /nfs/dbraw/zinc/95/41/40/1090954140.db2.gz IABFDIICAPUSQI-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001204522104 1090990724 /nfs/dbraw/zinc/99/07/24/1090990724.db2.gz QMIYWJMWFXSGBL-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1F ZINC001204562775 1090999938 /nfs/dbraw/zinc/99/99/38/1090999938.db2.gz SSBIBNABJBLNRZ-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1F ZINC001204562775 1090999940 /nfs/dbraw/zinc/99/99/40/1090999940.db2.gz SSBIBNABJBLNRZ-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP CN(c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1)c1ccccc1F ZINC001204675531 1091015415 /nfs/dbraw/zinc/01/54/15/1091015415.db2.gz RFODHZAWFQVHOI-UHFFFAOYSA-N 2 2 313.420 3.389 20 0 DGADLP CN(c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1)c1ccccc1F ZINC001204675531 1091015426 /nfs/dbraw/zinc/01/54/26/1091015426.db2.gz RFODHZAWFQVHOI-UHFFFAOYSA-N 2 2 313.420 3.389 20 0 DGADLP COc1ccccc1[C@H]1CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204864472 1091051104 /nfs/dbraw/zinc/05/11/04/1091051104.db2.gz UWMYNFSVJUSMDM-ZWKOTPCHSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccccc1[C@H]1CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204864472 1091051110 /nfs/dbraw/zinc/05/11/10/1091051110.db2.gz UWMYNFSVJUSMDM-ZWKOTPCHSA-N 2 2 310.441 3.055 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204893494 1091056335 /nfs/dbraw/zinc/05/63/35/1091056335.db2.gz HJTVLPROPSLOAP-BETUJISGSA-N 2 2 316.342 3.228 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204893494 1091056343 /nfs/dbraw/zinc/05/63/43/1091056343.db2.gz HJTVLPROPSLOAP-BETUJISGSA-N 2 2 316.342 3.228 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204893494 1091056351 /nfs/dbraw/zinc/05/63/51/1091056351.db2.gz HJTVLPROPSLOAP-BETUJISGSA-N 2 2 316.342 3.228 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204893494 1091056358 /nfs/dbraw/zinc/05/63/58/1091056358.db2.gz HJTVLPROPSLOAP-BETUJISGSA-N 2 2 316.342 3.228 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001205009486 1091083321 /nfs/dbraw/zinc/08/33/21/1091083321.db2.gz UPZCXQCKXVQDAI-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001205009486 1091083325 /nfs/dbraw/zinc/08/33/25/1091083325.db2.gz UPZCXQCKXVQDAI-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2cc(Br)sc2Cl)CC1 ZINC001205058480 1091092507 /nfs/dbraw/zinc/09/25/07/1091092507.db2.gz NPAUAAQBSIOYCO-UHFFFAOYSA-N 2 2 323.687 3.335 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2F)CC1 ZINC001205058850 1091092702 /nfs/dbraw/zinc/09/27/02/1091092702.db2.gz WBIAEBGQNKCGIF-UHFFFAOYSA-N 2 2 308.294 3.154 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(Br)cc1F ZINC001205124409 1091107941 /nfs/dbraw/zinc/10/79/41/1091107941.db2.gz QJYHULZAZXUHEC-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(Br)cc1F ZINC001205124409 1091107938 /nfs/dbraw/zinc/10/79/38/1091107938.db2.gz QJYHULZAZXUHEC-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205140944 1091110665 /nfs/dbraw/zinc/11/06/65/1091110665.db2.gz UCTPGGTYTRPEPB-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205140944 1091110667 /nfs/dbraw/zinc/11/06/67/1091110667.db2.gz UCTPGGTYTRPEPB-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[N@@H+](Cc1c(F)c(F)cc(F)c1F)CC1CC[NH+](C)CC1 ZINC001138234124 1091121407 /nfs/dbraw/zinc/12/14/07/1091121407.db2.gz IXEMFTJOODKVIB-UHFFFAOYSA-N 2 2 304.331 3.017 20 0 DGADLP C[N@H+](Cc1c(F)c(F)cc(F)c1F)CC1CC[NH+](C)CC1 ZINC001138234124 1091121412 /nfs/dbraw/zinc/12/14/12/1091121412.db2.gz IXEMFTJOODKVIB-UHFFFAOYSA-N 2 2 304.331 3.017 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001205251580 1091149240 /nfs/dbraw/zinc/14/92/40/1091149240.db2.gz NQZKDZMNDFLDBU-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001205251580 1091149244 /nfs/dbraw/zinc/14/92/44/1091149244.db2.gz NQZKDZMNDFLDBU-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC001205317159 1091182370 /nfs/dbraw/zinc/18/23/70/1091182370.db2.gz MWLSWIFTVPIZMH-JSGCOSHPSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC001205317159 1091182375 /nfs/dbraw/zinc/18/23/75/1091182375.db2.gz MWLSWIFTVPIZMH-JSGCOSHPSA-N 2 2 319.449 3.366 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317786 1091182438 /nfs/dbraw/zinc/18/24/38/1091182438.db2.gz QGDHWIKGYKAXMD-MWLCHTKSSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205317786 1091182441 /nfs/dbraw/zinc/18/24/41/1091182441.db2.gz QGDHWIKGYKAXMD-MWLCHTKSSA-N 2 2 317.296 3.236 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)c1 ZINC001138437675 1091184596 /nfs/dbraw/zinc/18/45/96/1091184596.db2.gz XKQZVYBSNSLPIQ-UHFFFAOYSA-N 2 2 302.462 3.452 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)c1 ZINC001138437675 1091184602 /nfs/dbraw/zinc/18/46/02/1091184602.db2.gz XKQZVYBSNSLPIQ-UHFFFAOYSA-N 2 2 302.462 3.452 20 0 DGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205375858 1091204764 /nfs/dbraw/zinc/20/47/64/1091204764.db2.gz ABMMZXYRTUNXFC-QFBILLFUSA-N 2 2 318.505 3.083 20 0 DGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205375858 1091204770 /nfs/dbraw/zinc/20/47/70/1091204770.db2.gz ABMMZXYRTUNXFC-QFBILLFUSA-N 2 2 318.505 3.083 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550174 1091225672 /nfs/dbraw/zinc/22/56/72/1091225672.db2.gz MNLZLGOGTMNMCQ-UHFFFAOYSA-N 3 2 314.477 3.344 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550174 1091225682 /nfs/dbraw/zinc/22/56/82/1091225682.db2.gz MNLZLGOGTMNMCQ-UHFFFAOYSA-N 3 2 314.477 3.344 20 0 DGADLP CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)C1CC[NH+](C)CC1 ZINC001138573581 1091238322 /nfs/dbraw/zinc/23/83/22/1091238322.db2.gz MPAWNCVIBHFABH-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C1CC[NH+](C)CC1 ZINC001138573581 1091238331 /nfs/dbraw/zinc/23/83/31/1091238331.db2.gz MPAWNCVIBHFABH-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP COc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c2c1 ZINC001138589395 1091245100 /nfs/dbraw/zinc/24/51/00/1091245100.db2.gz BQODEFLNTXOJID-UHFFFAOYSA-N 2 2 310.401 3.210 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632788 1091265530 /nfs/dbraw/zinc/26/55/30/1091265530.db2.gz HDFJSKWXLMTJFB-IBGZPJMESA-N 2 2 313.420 3.144 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632788 1091265538 /nfs/dbraw/zinc/26/55/38/1091265538.db2.gz HDFJSKWXLMTJFB-IBGZPJMESA-N 2 2 313.420 3.144 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632788 1091265546 /nfs/dbraw/zinc/26/55/46/1091265546.db2.gz HDFJSKWXLMTJFB-IBGZPJMESA-N 2 2 313.420 3.144 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632788 1091265557 /nfs/dbraw/zinc/26/55/57/1091265557.db2.gz HDFJSKWXLMTJFB-IBGZPJMESA-N 2 2 313.420 3.144 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]CC(C)C)CC2)c(C)[nH+]1 ZINC001205728607 1091323232 /nfs/dbraw/zinc/32/32/32/1091323232.db2.gz PTKRFCAOYZBFDS-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)nc2)CCC1(F)F ZINC001205770260 1091339941 /nfs/dbraw/zinc/33/99/41/1091339941.db2.gz MKOVHUIMOTXAKA-INIZCTEOSA-N 2 2 317.383 3.165 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)nc2)CCC1(F)F ZINC001205770260 1091339954 /nfs/dbraw/zinc/33/99/54/1091339954.db2.gz MKOVHUIMOTXAKA-INIZCTEOSA-N 2 2 317.383 3.165 20 0 DGADLP CC1(C)CCc2cc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2O1 ZINC001205779916 1091342941 /nfs/dbraw/zinc/34/29/41/1091342941.db2.gz NGXDEBCUILDZSO-OAHLLOKOSA-N 2 2 324.415 3.206 20 0 DGADLP CC1(C)CCc2cc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2O1 ZINC001205779916 1091342953 /nfs/dbraw/zinc/34/29/53/1091342953.db2.gz NGXDEBCUILDZSO-OAHLLOKOSA-N 2 2 324.415 3.206 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4c3cccc4Cl)C[C@@H]2C1 ZINC001138837028 1091350918 /nfs/dbraw/zinc/35/09/18/1091350918.db2.gz IUFNINBQIKNYHE-KBPBESRZSA-N 2 2 303.837 3.205 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001205821740 1091365808 /nfs/dbraw/zinc/36/58/08/1091365808.db2.gz GBLPFQDXPSKVOH-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001205821740 1091365814 /nfs/dbraw/zinc/36/58/14/1091365814.db2.gz GBLPFQDXPSKVOH-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828389 1091369306 /nfs/dbraw/zinc/36/93/06/1091369306.db2.gz KWCOGIBBLSTFCA-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828389 1091369317 /nfs/dbraw/zinc/36/93/17/1091369317.db2.gz KWCOGIBBLSTFCA-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001205844592 1091377215 /nfs/dbraw/zinc/37/72/15/1091377215.db2.gz XOBLTDWNOTVZSM-DZGCQCFKSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845336 1091378400 /nfs/dbraw/zinc/37/84/00/1091378400.db2.gz ZPZYIRDKZCYOQB-HIFRSBDPSA-N 2 2 301.409 3.380 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845336 1091378413 /nfs/dbraw/zinc/37/84/13/1091378413.db2.gz ZPZYIRDKZCYOQB-HIFRSBDPSA-N 2 2 301.409 3.380 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205873243 1091388492 /nfs/dbraw/zinc/38/84/92/1091388492.db2.gz ZRQXZNHSKWDZTQ-YGRLFVJLSA-N 2 2 302.340 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205873243 1091388504 /nfs/dbraw/zinc/38/85/04/1091388504.db2.gz ZRQXZNHSKWDZTQ-YGRLFVJLSA-N 2 2 302.340 3.063 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Br ZINC001205903517 1091402286 /nfs/dbraw/zinc/40/22/86/1091402286.db2.gz PVHHGXGGRDWHRX-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Br ZINC001205903517 1091402288 /nfs/dbraw/zinc/40/22/88/1091402288.db2.gz PVHHGXGGRDWHRX-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905265 1091403403 /nfs/dbraw/zinc/40/34/03/1091403403.db2.gz ZUDHLDZUEPDIMX-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905265 1091403414 /nfs/dbraw/zinc/40/34/14/1091403414.db2.gz ZUDHLDZUEPDIMX-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OCC)c1 ZINC001138979688 1091406218 /nfs/dbraw/zinc/40/62/18/1091406218.db2.gz HSSKUNXCKYXIKG-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OCC)c1 ZINC001138979688 1091406225 /nfs/dbraw/zinc/40/62/25/1091406225.db2.gz HSSKUNXCKYXIKG-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(OCC)c1 ZINC001138979688 1091406228 /nfs/dbraw/zinc/40/62/28/1091406228.db2.gz HSSKUNXCKYXIKG-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OCC)c1 ZINC001138979688 1091406235 /nfs/dbraw/zinc/40/62/35/1091406235.db2.gz HSSKUNXCKYXIKG-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912861 1091407670 /nfs/dbraw/zinc/40/76/70/1091407670.db2.gz DFLYYJQDFVKPLB-RYUDHWBXSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912861 1091407679 /nfs/dbraw/zinc/40/76/79/1091407679.db2.gz DFLYYJQDFVKPLB-RYUDHWBXSA-N 2 2 316.367 3.273 20 0 DGADLP CCCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001138998813 1091411367 /nfs/dbraw/zinc/41/13/67/1091411367.db2.gz QINSZDYKVVQROO-HDICACEKSA-N 2 2 302.462 3.249 20 0 DGADLP CCCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001138998813 1091411371 /nfs/dbraw/zinc/41/13/71/1091411371.db2.gz QINSZDYKVVQROO-HDICACEKSA-N 2 2 302.462 3.249 20 0 DGADLP CCCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001138998813 1091411374 /nfs/dbraw/zinc/41/13/74/1091411374.db2.gz QINSZDYKVVQROO-HDICACEKSA-N 2 2 302.462 3.249 20 0 DGADLP CCCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001138998813 1091411380 /nfs/dbraw/zinc/41/13/80/1091411380.db2.gz QINSZDYKVVQROO-HDICACEKSA-N 2 2 302.462 3.249 20 0 DGADLP c1cn(Cc2ccccc2-c2cccc(N3CC[NH2+]CC3)c2)c[nH+]1 ZINC001205922275 1091413498 /nfs/dbraw/zinc/41/34/98/1091413498.db2.gz HQTRDHVZVUCQHW-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP CCCn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001139040720 1091426772 /nfs/dbraw/zinc/42/67/72/1091426772.db2.gz OXBPRYUDPTXQFB-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CCCn1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001139040720 1091426781 /nfs/dbraw/zinc/42/67/81/1091426781.db2.gz OXBPRYUDPTXQFB-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP c1cc(C[NH+]2CC3(C2)CCCCC3)cc(C[NH+]2CCOCC2)c1 ZINC001139059258 1091431879 /nfs/dbraw/zinc/43/18/79/1091431879.db2.gz RVDJBBZKDWBNKX-UHFFFAOYSA-N 2 2 314.473 3.285 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1[NH3+] ZINC001206037504 1091463643 /nfs/dbraw/zinc/46/36/43/1091463643.db2.gz VVTUJJPPSLNNCA-CRAIPNDOSA-N 2 2 320.440 3.195 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@H]1[NH3+] ZINC001206037504 1091463653 /nfs/dbraw/zinc/46/36/53/1091463653.db2.gz VVTUJJPPSLNNCA-CRAIPNDOSA-N 2 2 320.440 3.195 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C[C@H]1[NH3+] ZINC001206071066 1091477916 /nfs/dbraw/zinc/47/79/16/1091477916.db2.gz ZBWKZVXKWYVSBG-BDJLRTHQSA-N 2 2 319.811 3.320 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C[C@H]1[NH3+] ZINC001206071066 1091477926 /nfs/dbraw/zinc/47/79/26/1091477926.db2.gz ZBWKZVXKWYVSBG-BDJLRTHQSA-N 2 2 319.811 3.320 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@H]1F ZINC001206167302 1091515515 /nfs/dbraw/zinc/51/55/15/1091515515.db2.gz YGEAVQOMLPACOR-CABCVRRESA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@H]1F ZINC001206167302 1091515525 /nfs/dbraw/zinc/51/55/25/1091515525.db2.gz YGEAVQOMLPACOR-CABCVRRESA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)CC[C@H]1F ZINC001206172590 1091519642 /nfs/dbraw/zinc/51/96/42/1091519642.db2.gz AWDZFFHMGQNPSF-HUUCEWRRSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)CC[C@H]1F ZINC001206172590 1091519648 /nfs/dbraw/zinc/51/96/48/1091519648.db2.gz AWDZFFHMGQNPSF-HUUCEWRRSA-N 2 2 307.800 3.149 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206186007 1091527579 /nfs/dbraw/zinc/52/75/79/1091527579.db2.gz PRQXYKWGZDLJDZ-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206186007 1091527589 /nfs/dbraw/zinc/52/75/89/1091527589.db2.gz PRQXYKWGZDLJDZ-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@@H]1F ZINC001206190196 1091528581 /nfs/dbraw/zinc/52/85/81/1091528581.db2.gz ZLAWLPYLMHJRGS-DLBZAZTESA-N 2 2 321.440 3.054 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@@H]1F ZINC001206190196 1091528586 /nfs/dbraw/zinc/52/85/86/1091528586.db2.gz ZLAWLPYLMHJRGS-DLBZAZTESA-N 2 2 321.440 3.054 20 0 DGADLP O=C1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCCC[C@H]12 ZINC001139358376 1091534093 /nfs/dbraw/zinc/53/40/93/1091534093.db2.gz QHYZJQWVXWYXNG-ROUUACIJSA-N 2 2 309.413 3.206 20 0 DGADLP O=C1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCCC[C@H]12 ZINC001139358376 1091534105 /nfs/dbraw/zinc/53/41/05/1091534105.db2.gz QHYZJQWVXWYXNG-ROUUACIJSA-N 2 2 309.413 3.206 20 0 DGADLP c1cn(-c2ccc(CN3CC[NH+](CC4CCCC4)CC3)cc2)c[nH+]1 ZINC001139360589 1091534144 /nfs/dbraw/zinc/53/41/44/1091534144.db2.gz XTUGZSWHRYQBMZ-UHFFFAOYSA-N 2 2 324.472 3.180 20 0 DGADLP O=C1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCC[C@@H]12 ZINC001139358375 1091534895 /nfs/dbraw/zinc/53/48/95/1091534895.db2.gz QHYZJQWVXWYXNG-QZTJIDSGSA-N 2 2 309.413 3.206 20 0 DGADLP O=C1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCC[C@@H]12 ZINC001139358375 1091534903 /nfs/dbraw/zinc/53/49/03/1091534903.db2.gz QHYZJQWVXWYXNG-QZTJIDSGSA-N 2 2 309.413 3.206 20 0 DGADLP C[N@H+](Cc1ccc(-c2ccsc2)nc1)C1CC[NH+](C)CC1 ZINC001139497402 1091574263 /nfs/dbraw/zinc/57/42/63/1091574263.db2.gz POVBNBTYKLFBRC-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ccsc2)nc1)C1CC[NH+](C)CC1 ZINC001139497402 1091574269 /nfs/dbraw/zinc/57/42/69/1091574269.db2.gz POVBNBTYKLFBRC-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)cc2c1 ZINC001206344185 1091586416 /nfs/dbraw/zinc/58/64/16/1091586416.db2.gz OIJKVDRHTAKBPD-KRWDZBQOSA-N 2 2 306.381 3.094 20 0 DGADLP COc1ccc2oc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)cc2c1 ZINC001206344185 1091586423 /nfs/dbraw/zinc/58/64/23/1091586423.db2.gz OIJKVDRHTAKBPD-KRWDZBQOSA-N 2 2 306.381 3.094 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001206352131 1091591666 /nfs/dbraw/zinc/59/16/66/1091591666.db2.gz OYASNJAXNHNJNA-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001206352131 1091591673 /nfs/dbraw/zinc/59/16/73/1091591673.db2.gz OYASNJAXNHNJNA-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP CCOc1ccncc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001139628786 1091628427 /nfs/dbraw/zinc/62/84/27/1091628427.db2.gz HHEYXYOPRFHBJT-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccncc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001139628786 1091628430 /nfs/dbraw/zinc/62/84/30/1091628430.db2.gz HHEYXYOPRFHBJT-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccncc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001139628786 1091628435 /nfs/dbraw/zinc/62/84/35/1091628435.db2.gz HHEYXYOPRFHBJT-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccncc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001139628786 1091628444 /nfs/dbraw/zinc/62/84/44/1091628444.db2.gz HHEYXYOPRFHBJT-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001206580551 1091676010 /nfs/dbraw/zinc/67/60/10/1091676010.db2.gz DRXYGYABELOXAQ-GOSISDBHSA-N 2 2 317.408 3.432 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001206580551 1091676019 /nfs/dbraw/zinc/67/60/19/1091676019.db2.gz DRXYGYABELOXAQ-GOSISDBHSA-N 2 2 317.408 3.432 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(C)cn4)C[C@@H]3C2)cc1 ZINC001139837070 1091686316 /nfs/dbraw/zinc/68/63/16/1091686316.db2.gz IZYMPUFQEBDCAW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C)cn4)C[C@@H]3C2)cc1 ZINC001139837070 1091686320 /nfs/dbraw/zinc/68/63/20/1091686320.db2.gz IZYMPUFQEBDCAW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C)cn4)C[C@@H]3C2)cc1 ZINC001139837070 1091686326 /nfs/dbraw/zinc/68/63/26/1091686326.db2.gz IZYMPUFQEBDCAW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(C)cn4)C[C@@H]3C2)cc1 ZINC001139837070 1091686328 /nfs/dbraw/zinc/68/63/28/1091686328.db2.gz IZYMPUFQEBDCAW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001206615154 1091689659 /nfs/dbraw/zinc/68/96/59/1091689659.db2.gz DGTIUGPUHJUZCJ-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001206615154 1091689660 /nfs/dbraw/zinc/68/96/60/1091689660.db2.gz DGTIUGPUHJUZCJ-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001206616430 1091690513 /nfs/dbraw/zinc/69/05/13/1091690513.db2.gz OEBNQLWWJFNIMC-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001206616430 1091690520 /nfs/dbraw/zinc/69/05/20/1091690520.db2.gz OEBNQLWWJFNIMC-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001206624495 1091693333 /nfs/dbraw/zinc/69/33/33/1091693333.db2.gz VQRCGLGYBXEUAE-JTQLQIEISA-N 2 2 321.774 3.315 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001206624495 1091693337 /nfs/dbraw/zinc/69/33/37/1091693337.db2.gz VQRCGLGYBXEUAE-JTQLQIEISA-N 2 2 321.774 3.315 20 0 DGADLP CC(C)Oc1c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccc(F)c1F ZINC001206647157 1091696689 /nfs/dbraw/zinc/69/66/89/1091696689.db2.gz FXDPQLCPDVVKNB-CYBMUJFWSA-N 2 2 312.404 3.313 20 0 DGADLP CC(C)Oc1c(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc(F)c1F ZINC001206647157 1091696693 /nfs/dbraw/zinc/69/66/93/1091696693.db2.gz FXDPQLCPDVVKNB-CYBMUJFWSA-N 2 2 312.404 3.313 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC12CN(Cc1cccc(N)[nH+]1)C2 ZINC001276491649 1091710264 /nfs/dbraw/zinc/71/02/64/1091710264.db2.gz HFQVUUSBFKCDRP-INIZCTEOSA-N 2 2 316.493 3.140 20 0 DGADLP C[C@H]([NH3+])c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1 ZINC001206712587 1091711166 /nfs/dbraw/zinc/71/11/66/1091711166.db2.gz VILUVNBXQWAZGI-AWEZNQCLSA-N 2 2 314.404 3.345 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)nc4)C[C@@H]3C2)cc1 ZINC001139930854 1091715551 /nfs/dbraw/zinc/71/55/51/1091715551.db2.gz GIQWZDBJUYWBOC-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ncsc2C1 ZINC001140025484 1091742351 /nfs/dbraw/zinc/74/23/51/1091742351.db2.gz BDPQBFCSXCJTBZ-UHFFFAOYSA-N 2 2 310.426 3.196 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ncsc2C1 ZINC001140025484 1091742357 /nfs/dbraw/zinc/74/23/57/1091742357.db2.gz BDPQBFCSXCJTBZ-UHFFFAOYSA-N 2 2 310.426 3.196 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001140028597 1091743456 /nfs/dbraw/zinc/74/34/56/1091743456.db2.gz YBQZGGNSUSJZAD-UHFFFAOYSA-N 2 2 311.429 3.183 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001140028597 1091743464 /nfs/dbraw/zinc/74/34/64/1091743464.db2.gz YBQZGGNSUSJZAD-UHFFFAOYSA-N 2 2 311.429 3.183 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)cn2c1 ZINC001206800738 1091745967 /nfs/dbraw/zinc/74/59/67/1091745967.db2.gz MDBHXCLMWUIIAE-FUHWJXTLSA-N 2 2 314.477 3.195 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)cn2c1 ZINC001206800738 1091745969 /nfs/dbraw/zinc/74/59/69/1091745969.db2.gz MDBHXCLMWUIIAE-FUHWJXTLSA-N 2 2 314.477 3.195 20 0 DGADLP CSc1nccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001140038721 1091746280 /nfs/dbraw/zinc/74/62/80/1091746280.db2.gz FZZOKDBCLZWLOD-UHFFFAOYSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1nccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001140038721 1091746288 /nfs/dbraw/zinc/74/62/88/1091746288.db2.gz FZZOKDBCLZWLOD-UHFFFAOYSA-N 2 2 320.506 3.037 20 0 DGADLP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001168769654 1091746976 /nfs/dbraw/zinc/74/69/76/1091746976.db2.gz VDWKMGZQCFQUPW-UHFFFAOYSA-N 2 2 314.433 3.055 20 0 DGADLP CCOc1ccc2[nH]cc(C[NH+]3CCC([N@H+](C)CC)CC3)c2c1 ZINC001140274486 1091812871 /nfs/dbraw/zinc/81/28/71/1091812871.db2.gz OAQRRMCKIUIZPD-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP CCOc1ccc2[nH]cc(C[NH+]3CCC([N@@H+](C)CC)CC3)c2c1 ZINC001140274486 1091812874 /nfs/dbraw/zinc/81/28/74/1091812874.db2.gz OAQRRMCKIUIZPD-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccncn3)C[C@@H]21 ZINC001140344945 1091836129 /nfs/dbraw/zinc/83/61/29/1091836129.db2.gz CWYCPALLCMRKPF-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccncn3)C[C@@H]21 ZINC001140344945 1091836132 /nfs/dbraw/zinc/83/61/32/1091836132.db2.gz CWYCPALLCMRKPF-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccncn3)C[C@@H]21 ZINC001140344945 1091836136 /nfs/dbraw/zinc/83/61/36/1091836136.db2.gz CWYCPALLCMRKPF-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccncn3)C[C@@H]21 ZINC001140344945 1091836140 /nfs/dbraw/zinc/83/61/40/1091836140.db2.gz CWYCPALLCMRKPF-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP Cc1c(F)cc(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC001140555311 1091908976 /nfs/dbraw/zinc/90/89/76/1091908976.db2.gz CPJUSGDREUZVFG-UHFFFAOYSA-N 2 2 317.246 3.280 20 0 DGADLP Cc1c(F)cc(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC001140555311 1091908985 /nfs/dbraw/zinc/90/89/85/1091908985.db2.gz CPJUSGDREUZVFG-UHFFFAOYSA-N 2 2 317.246 3.280 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc(C)c1O ZINC001140658903 1091948255 /nfs/dbraw/zinc/94/82/55/1091948255.db2.gz DIWOIYQRCIBYMF-UHFFFAOYSA-N 2 2 320.452 3.407 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1ccc(Br)cc1)C2 ZINC001207382305 1091948525 /nfs/dbraw/zinc/94/85/25/1091948525.db2.gz ZPTCVPVWIZZUPA-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1ccc(Br)cc1)C2 ZINC001207382305 1091948533 /nfs/dbraw/zinc/94/85/33/1091948533.db2.gz ZPTCVPVWIZZUPA-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383809 1091950276 /nfs/dbraw/zinc/95/02/76/1091950276.db2.gz HKYWLNMIQOZIME-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383809 1091950284 /nfs/dbraw/zinc/95/02/84/1091950284.db2.gz HKYWLNMIQOZIME-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383809 1091950294 /nfs/dbraw/zinc/95/02/94/1091950294.db2.gz HKYWLNMIQOZIME-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383809 1091950302 /nfs/dbraw/zinc/95/03/02/1091950302.db2.gz HKYWLNMIQOZIME-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP COc1cccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001207428505 1091967140 /nfs/dbraw/zinc/96/71/40/1091967140.db2.gz GAPYAUNUQZVRST-UHFFFAOYSA-N 2 2 312.413 3.176 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207470577 1091979339 /nfs/dbraw/zinc/97/93/39/1091979339.db2.gz STFABDUEIQFAPP-INIZCTEOSA-N 2 2 320.452 3.149 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207470577 1091979344 /nfs/dbraw/zinc/97/93/44/1091979344.db2.gz STFABDUEIQFAPP-INIZCTEOSA-N 2 2 320.452 3.149 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc(O)cc(Cl)c3)CC2)cc[nH+]1 ZINC001140793942 1092001518 /nfs/dbraw/zinc/00/15/18/1092001518.db2.gz QFOJVOXBIPBWFE-UHFFFAOYSA-N 2 2 317.820 3.071 20 0 DGADLP CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805617 1092010461 /nfs/dbraw/zinc/01/04/61/1092010461.db2.gz KWKRWBVDTWIXNB-CYBMUJFWSA-N 2 2 315.417 3.117 20 0 DGADLP CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805617 1092010470 /nfs/dbraw/zinc/01/04/70/1092010470.db2.gz KWKRWBVDTWIXNB-CYBMUJFWSA-N 2 2 315.417 3.117 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805008 1092012073 /nfs/dbraw/zinc/01/20/73/1092012073.db2.gz OEFFFXDLMBTNJT-IRXDYDNUSA-N 3 2 312.461 3.402 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805008 1092012083 /nfs/dbraw/zinc/01/20/83/1092012083.db2.gz OEFFFXDLMBTNJT-IRXDYDNUSA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805008 1092012093 /nfs/dbraw/zinc/01/20/93/1092012093.db2.gz OEFFFXDLMBTNJT-IRXDYDNUSA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805008 1092012109 /nfs/dbraw/zinc/01/21/09/1092012109.db2.gz OEFFFXDLMBTNJT-IRXDYDNUSA-N 3 2 312.461 3.402 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC001207825797 1092109866 /nfs/dbraw/zinc/10/98/66/1092109866.db2.gz ZVRMTDHWJBFLIW-UHFFFAOYSA-N 2 2 302.447 3.134 20 0 DGADLP c1cnc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)nc1 ZINC001141185526 1092166487 /nfs/dbraw/zinc/16/64/87/1092166487.db2.gz QLQSFBUJPTVLJE-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP C[N@H+](Cc1cccc(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1 ZINC001141204458 1092175625 /nfs/dbraw/zinc/17/56/25/1092175625.db2.gz DYAHGDIVQPWSHG-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP C[N@@H+](Cc1cccc(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1 ZINC001141204458 1092175629 /nfs/dbraw/zinc/17/56/29/1092175629.db2.gz DYAHGDIVQPWSHG-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)nc1 ZINC001208088490 1092192779 /nfs/dbraw/zinc/19/27/79/1092192779.db2.gz HARNYFIAPYSZSI-OALUTQOASA-N 2 2 313.489 3.416 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC(C)=C[C@@H]3C)CC2)c1 ZINC001208166871 1092233218 /nfs/dbraw/zinc/23/32/18/1092233218.db2.gz CRDKDWYTPSDTFH-IRXDYDNUSA-N 2 2 315.461 3.205 20 0 DGADLP CC[N@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218585 1092274776 /nfs/dbraw/zinc/27/47/76/1092274776.db2.gz SBDIZOQVQYVMIB-OAHLLOKOSA-N 2 2 318.461 3.010 20 0 DGADLP CC[N@@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218585 1092274791 /nfs/dbraw/zinc/27/47/91/1092274791.db2.gz SBDIZOQVQYVMIB-OAHLLOKOSA-N 2 2 318.461 3.010 20 0 DGADLP CC[N@H+](Cc1ccc([Si](C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001141732307 1092326442 /nfs/dbraw/zinc/32/64/42/1092326442.db2.gz HOVRROFFZLJSCE-UHFFFAOYSA-N 2 2 304.554 3.148 20 0 DGADLP CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001141732307 1092326455 /nfs/dbraw/zinc/32/64/55/1092326455.db2.gz HOVRROFFZLJSCE-UHFFFAOYSA-N 2 2 304.554 3.148 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3c2OCO3)CC1 ZINC001141962251 1092370552 /nfs/dbraw/zinc/37/05/52/1092370552.db2.gz UDDGYBXHEFEYMU-UHFFFAOYSA-N 2 2 304.434 3.112 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2OCO3)CC1 ZINC001141962251 1092370561 /nfs/dbraw/zinc/37/05/61/1092370561.db2.gz UDDGYBXHEFEYMU-UHFFFAOYSA-N 2 2 304.434 3.112 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604618 1092422236 /nfs/dbraw/zinc/42/22/36/1092422236.db2.gz RBDYTQRYLSMUOX-YLJYHZDGSA-N 2 2 309.457 3.235 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604618 1092422245 /nfs/dbraw/zinc/42/22/45/1092422245.db2.gz RBDYTQRYLSMUOX-YLJYHZDGSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604618 1092422253 /nfs/dbraw/zinc/42/22/53/1092422253.db2.gz RBDYTQRYLSMUOX-YLJYHZDGSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604618 1092422257 /nfs/dbraw/zinc/42/22/57/1092422257.db2.gz RBDYTQRYLSMUOX-YLJYHZDGSA-N 2 2 309.457 3.235 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@@H]2C1 ZINC001142185331 1092430025 /nfs/dbraw/zinc/43/00/25/1092430025.db2.gz VMULFLSCUKXTKP-IRXDYDNUSA-N 2 2 318.509 3.029 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCC1CCCC1)CC2 ZINC001208693402 1092460266 /nfs/dbraw/zinc/46/02/66/1092460266.db2.gz PBGOKHBXBAKXJP-UHFFFAOYSA-N 2 2 318.509 3.464 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCC1CCCC1)CC2 ZINC001208693402 1092460277 /nfs/dbraw/zinc/46/02/77/1092460277.db2.gz PBGOKHBXBAKXJP-UHFFFAOYSA-N 2 2 318.509 3.464 20 0 DGADLP CC[C@H](CCC(=O)OC)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208787232 1092507708 /nfs/dbraw/zinc/50/77/08/1092507708.db2.gz BCQJGUOLWZEVJM-MRXNPFEDSA-N 2 2 324.509 3.305 20 0 DGADLP CC[C@H](CCC(=O)OC)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208787232 1092507720 /nfs/dbraw/zinc/50/77/20/1092507720.db2.gz BCQJGUOLWZEVJM-MRXNPFEDSA-N 2 2 324.509 3.305 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117305 1092539768 /nfs/dbraw/zinc/53/97/68/1092539768.db2.gz XWDADKYMNBWQOE-VWPFQQQWSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117305 1092539778 /nfs/dbraw/zinc/53/97/78/1092539778.db2.gz XWDADKYMNBWQOE-VWPFQQQWSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118540 1092541793 /nfs/dbraw/zinc/54/17/93/1092541793.db2.gz JVGDHQZEXNNHAM-ZWUHOBOKSA-N 2 2 308.372 3.003 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118540 1092541802 /nfs/dbraw/zinc/54/18/02/1092541802.db2.gz JVGDHQZEXNNHAM-ZWUHOBOKSA-N 2 2 308.372 3.003 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001169122861 1092546542 /nfs/dbraw/zinc/54/65/42/1092546542.db2.gz FMGVVKVTWRJASR-ZSOGYDGISA-N 2 2 315.392 3.196 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001169122861 1092546549 /nfs/dbraw/zinc/54/65/49/1092546549.db2.gz FMGVVKVTWRJASR-ZSOGYDGISA-N 2 2 315.392 3.196 20 0 DGADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c(C)cc[nH+]c1C ZINC001169179240 1092588547 /nfs/dbraw/zinc/58/85/47/1092588547.db2.gz GKGGCSLWWHJZPA-UHFFFAOYSA-N 2 2 309.413 3.461 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCCC(F)(F)C3)c2)C1 ZINC001169217463 1092595577 /nfs/dbraw/zinc/59/55/77/1092595577.db2.gz GGOZDVUEFOINLS-GDBMZVCRSA-N 2 2 309.404 3.209 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCCC(F)(F)C3)c2)C1 ZINC001169217463 1092595587 /nfs/dbraw/zinc/59/55/87/1092595587.db2.gz GGOZDVUEFOINLS-GDBMZVCRSA-N 2 2 309.404 3.209 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945604 1092606701 /nfs/dbraw/zinc/60/67/01/1092606701.db2.gz RXCOQYFNLAOEAT-AZUAARDMSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945604 1092606704 /nfs/dbraw/zinc/60/67/04/1092606704.db2.gz RXCOQYFNLAOEAT-AZUAARDMSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945604 1092606709 /nfs/dbraw/zinc/60/67/09/1092606709.db2.gz RXCOQYFNLAOEAT-AZUAARDMSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945604 1092606710 /nfs/dbraw/zinc/60/67/10/1092606710.db2.gz RXCOQYFNLAOEAT-AZUAARDMSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950851 1092608247 /nfs/dbraw/zinc/60/82/47/1092608247.db2.gz WVAQOIMIBBMZTF-QUCCMNQESA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950851 1092608250 /nfs/dbraw/zinc/60/82/50/1092608250.db2.gz WVAQOIMIBBMZTF-QUCCMNQESA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950851 1092608254 /nfs/dbraw/zinc/60/82/54/1092608254.db2.gz WVAQOIMIBBMZTF-QUCCMNQESA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950851 1092608256 /nfs/dbraw/zinc/60/82/56/1092608256.db2.gz WVAQOIMIBBMZTF-QUCCMNQESA-N 2 2 322.456 3.136 20 0 DGADLP CC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001169274023 1092622647 /nfs/dbraw/zinc/62/26/47/1092622647.db2.gz WAWSLKBNTYKSKH-AZUAARDMSA-N 2 2 315.505 3.367 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127503 1092666032 /nfs/dbraw/zinc/66/60/32/1092666032.db2.gz VVHBDGMBDJJYQH-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127503 1092666037 /nfs/dbraw/zinc/66/60/37/1092666037.db2.gz VVHBDGMBDJJYQH-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127503 1092666043 /nfs/dbraw/zinc/66/60/43/1092666043.db2.gz VVHBDGMBDJJYQH-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127503 1092666047 /nfs/dbraw/zinc/66/60/47/1092666047.db2.gz VVHBDGMBDJJYQH-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[C@@H]1C[C@H]1C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209420178 1092767381 /nfs/dbraw/zinc/76/73/81/1092767381.db2.gz CLVQQLPWRCCMOW-MNOVXSKESA-N 2 2 320.234 3.152 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453731 1092780859 /nfs/dbraw/zinc/78/08/59/1092780859.db2.gz LECKKIJTTUUJNG-SFHVURJKSA-N 2 2 300.446 3.067 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209453731 1092780869 /nfs/dbraw/zinc/78/08/69/1092780869.db2.gz LECKKIJTTUUJNG-SFHVURJKSA-N 2 2 300.446 3.067 20 0 DGADLP c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551462 1092821582 /nfs/dbraw/zinc/82/15/82/1092821582.db2.gz XMFBVGBNMOLWMP-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551462 1092821593 /nfs/dbraw/zinc/82/15/93/1092821593.db2.gz XMFBVGBNMOLWMP-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551462 1092821603 /nfs/dbraw/zinc/82/16/03/1092821603.db2.gz XMFBVGBNMOLWMP-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551462 1092821612 /nfs/dbraw/zinc/82/16/12/1092821612.db2.gz XMFBVGBNMOLWMP-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637518 1092858768 /nfs/dbraw/zinc/85/87/68/1092858768.db2.gz GZIGONVQOGUWMM-OAHLLOKOSA-N 2 2 317.820 3.400 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637518 1092858777 /nfs/dbraw/zinc/85/87/77/1092858777.db2.gz GZIGONVQOGUWMM-OAHLLOKOSA-N 2 2 317.820 3.400 20 0 DGADLP Nc1cc[nH+]cc1C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001209737554 1092897752 /nfs/dbraw/zinc/89/77/52/1092897752.db2.gz OHYDEHRUELZYLD-UHFFFAOYSA-N 2 2 307.319 3.071 20 0 DGADLP Nc1cc[nH+]cc1C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001209737554 1092897758 /nfs/dbraw/zinc/89/77/58/1092897758.db2.gz OHYDEHRUELZYLD-UHFFFAOYSA-N 2 2 307.319 3.071 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673950 1092936966 /nfs/dbraw/zinc/93/69/66/1092936966.db2.gz NJAQHRXOGHDLJV-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673950 1092936977 /nfs/dbraw/zinc/93/69/77/1092936977.db2.gz NJAQHRXOGHDLJV-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673950 1092936988 /nfs/dbraw/zinc/93/69/88/1092936988.db2.gz NJAQHRXOGHDLJV-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673950 1092936998 /nfs/dbraw/zinc/93/69/98/1092936998.db2.gz NJAQHRXOGHDLJV-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP Cc1cc[nH+]c(C(C)C)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210264771 1093100260 /nfs/dbraw/zinc/10/02/60/1093100260.db2.gz WCDFLRSOPRIQSG-UHFFFAOYSA-N 3 2 311.433 3.062 20 0 DGADLP Cc1[nH+]cc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1N ZINC001210289323 1093110661 /nfs/dbraw/zinc/11/06/61/1093110661.db2.gz GJBZGGAHLUEABV-UHFFFAOYSA-N 2 2 312.417 3.189 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[NH2+]1 ZINC001210499727 1093188750 /nfs/dbraw/zinc/18/87/50/1093188750.db2.gz WJZVGLVLMKJPQG-CYBMUJFWSA-N 2 2 317.383 3.211 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[NH2+]1 ZINC001210499727 1093188755 /nfs/dbraw/zinc/18/87/55/1093188755.db2.gz WJZVGLVLMKJPQG-CYBMUJFWSA-N 2 2 317.383 3.211 20 0 DGADLP CCN(C)c1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC001210708322 1093255533 /nfs/dbraw/zinc/25/55/33/1093255533.db2.gz LLIMIGQDDFGJRS-KRWDZBQOSA-N 2 2 300.450 3.482 20 0 DGADLP CNc1cc(Nc2cc(Br)c3[nH+]ccn3c2)cc[nH+]1 ZINC001216333629 1094176896 /nfs/dbraw/zinc/17/68/96/1094176896.db2.gz CBKJXLGFCHZXBB-UHFFFAOYSA-N 2 2 318.178 3.277 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276740986 1094202223 /nfs/dbraw/zinc/20/22/23/1094202223.db2.gz NQNXQRUESXGTIK-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276740986 1094202229 /nfs/dbraw/zinc/20/22/29/1094202229.db2.gz NQNXQRUESXGTIK-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1F ZINC001276740986 1094202233 /nfs/dbraw/zinc/20/22/33/1094202233.db2.gz NQNXQRUESXGTIK-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001276740986 1094202238 /nfs/dbraw/zinc/20/22/38/1094202238.db2.gz NQNXQRUESXGTIK-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000186315286 1094285922 /nfs/dbraw/zinc/28/59/22/1094285922.db2.gz NLCOQVKLIIVZHU-QGZVFWFLSA-N 2 2 308.429 3.055 20 0 DGADLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000186315286 1094285927 /nfs/dbraw/zinc/28/59/27/1094285927.db2.gz NLCOQVKLIIVZHU-QGZVFWFLSA-N 2 2 308.429 3.055 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C)c(C)[nH+]1 ZINC001135042672 1094373644 /nfs/dbraw/zinc/37/36/44/1094373644.db2.gz CAEUWILQBCOZMZ-DZGCQCFKSA-N 2 2 305.466 3.149 20 0 DGADLP C[NH+](C)C[C@@H]([NH2+][C@H]1CCCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC001170800442 1094433956 /nfs/dbraw/zinc/43/39/56/1094433956.db2.gz BFFIDBCZDVCDCP-UFRYGVRYSA-N 2 2 320.521 3.292 20 0 DGADLP C(CC1CCCCC1)c1nnc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001217706888 1094477239 /nfs/dbraw/zinc/47/72/39/1094477239.db2.gz WSGFILAOCBAJCE-OAHLLOKOSA-N 2 2 318.465 3.129 20 0 DGADLP CCCC[NH+](CCCC)CCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217857620 1094504726 /nfs/dbraw/zinc/50/47/26/1094504726.db2.gz YKEVHKRDNVYCJG-OAHLLOKOSA-N 2 2 306.441 3.293 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001336261735 1094607685 /nfs/dbraw/zinc/60/76/85/1094607685.db2.gz HAJFMNRZLSSDCI-WMLDXEAASA-N 2 2 306.425 3.092 20 0 DGADLP COc1ccc2[nH+]ccc(N3CCC(c4c[nH]c[nH+]4)CC3)c2c1 ZINC001336535127 1094667131 /nfs/dbraw/zinc/66/71/31/1094667131.db2.gz PVZJHQAIJJWLHR-UHFFFAOYSA-N 2 2 308.385 3.351 20 0 DGADLP COCc1csc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001336842201 1094756124 /nfs/dbraw/zinc/75/61/24/1094756124.db2.gz IRTWQWIGVGBTNM-UHFFFAOYSA-N 2 2 317.458 3.366 20 0 DGADLP CCc1cccc(CC)c1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218949376 1094911697 /nfs/dbraw/zinc/91/16/97/1094911697.db2.gz TWRFVJVZUXSPGO-KRWDZBQOSA-N 2 2 311.429 3.022 20 0 DGADLP CN(C)c1[nH+]ccc2c1CN(c1cc[nH+]c3ccccc31)CC2 ZINC001337374403 1094950399 /nfs/dbraw/zinc/95/03/99/1094950399.db2.gz DKWPFCWPFJYZBN-UHFFFAOYSA-N 2 2 304.397 3.259 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170956272 1095017658 /nfs/dbraw/zinc/01/76/58/1095017658.db2.gz VFMPCBQBOLEXMP-RDJZCZTQSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170971119 1095054193 /nfs/dbraw/zinc/05/41/93/1095054193.db2.gz NZUIUDVZQJZLLF-HOTGVXAUSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170971119 1095054207 /nfs/dbraw/zinc/05/42/07/1095054207.db2.gz NZUIUDVZQJZLLF-HOTGVXAUSA-N 2 2 304.453 3.393 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170978045 1095070389 /nfs/dbraw/zinc/07/03/89/1095070389.db2.gz RZHRJZLEWCLCRQ-MSOLQXFVSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170978045 1095070399 /nfs/dbraw/zinc/07/03/99/1095070399.db2.gz RZHRJZLEWCLCRQ-MSOLQXFVSA-N 2 2 310.416 3.069 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3c(C)cccn23)CC1 ZINC001136967783 1095258062 /nfs/dbraw/zinc/25/80/62/1095258062.db2.gz RPKPQYYWMJRPLE-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3c(C)cccn23)CC1 ZINC001136967783 1095258071 /nfs/dbraw/zinc/25/80/71/1095258071.db2.gz RPKPQYYWMJRPLE-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001143683533 1095344853 /nfs/dbraw/zinc/34/48/53/1095344853.db2.gz KVXHAASSRWVKRY-GJZGRUSLSA-N 2 2 312.379 3.397 20 0 DGADLP Cc1ccc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001115828639 1095403886 /nfs/dbraw/zinc/40/38/86/1095403886.db2.gz KXQHEMAQCXFBOG-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP Cc1ccc(C[N@H+]2CCCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001115828639 1095403891 /nfs/dbraw/zinc/40/38/91/1095403891.db2.gz KXQHEMAQCXFBOG-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP [NH3+][C@H](C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1)c1ccccc1 ZINC001222109547 1095435957 /nfs/dbraw/zinc/43/59/57/1095435957.db2.gz KLIHCQMCXSDHSU-LJQANCHMSA-N 3 2 315.505 3.322 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001143939821 1095441606 /nfs/dbraw/zinc/44/16/06/1095441606.db2.gz NQSKAAGOZCESGS-CQSZACIVSA-N 2 2 314.433 3.286 20 0 DGADLP Clc1cccc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)nc12 ZINC001222142073 1095453943 /nfs/dbraw/zinc/45/39/43/1095453943.db2.gz VWWYFZMVUHUFDL-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cccc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)nc12 ZINC001222142073 1095453948 /nfs/dbraw/zinc/45/39/48/1095453948.db2.gz VWWYFZMVUHUFDL-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1F ZINC001222154215 1095460340 /nfs/dbraw/zinc/46/03/40/1095460340.db2.gz INJWWASETNJGSI-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1F ZINC001222154215 1095460344 /nfs/dbraw/zinc/46/03/44/1095460344.db2.gz INJWWASETNJGSI-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1F ZINC001222154293 1095460901 /nfs/dbraw/zinc/46/09/01/1095460901.db2.gz JOHLRHFODPMOFX-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1F ZINC001222154293 1095460910 /nfs/dbraw/zinc/46/09/10/1095460910.db2.gz JOHLRHFODPMOFX-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1F ZINC001222154216 1095461529 /nfs/dbraw/zinc/46/15/29/1095461529.db2.gz INJWWASETNJGSI-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1F ZINC001222154216 1095461530 /nfs/dbraw/zinc/46/15/30/1095461530.db2.gz INJWWASETNJGSI-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP Clc1ncccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160872 1095466944 /nfs/dbraw/zinc/46/69/44/1095466944.db2.gz JNTFKRCDKOWJAT-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ncccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160872 1095466946 /nfs/dbraw/zinc/46/69/46/1095466946.db2.gz JNTFKRCDKOWJAT-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Cc1cnc(F)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172707 1095477822 /nfs/dbraw/zinc/47/78/22/1095477822.db2.gz NDUFYQNKNPOUHT-GOSISDBHSA-N 2 2 305.441 3.275 20 0 DGADLP Cc1cnc(F)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222172707 1095477825 /nfs/dbraw/zinc/47/78/25/1095477825.db2.gz NDUFYQNKNPOUHT-GOSISDBHSA-N 2 2 305.441 3.275 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222192021 1095484064 /nfs/dbraw/zinc/48/40/64/1095484064.db2.gz RTRNFIYYVKKHCE-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1cccc(CCC[N@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222192021 1095484070 /nfs/dbraw/zinc/48/40/70/1095484070.db2.gz RTRNFIYYVKKHCE-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1CC ZINC001222243781 1095506965 /nfs/dbraw/zinc/50/69/65/1095506965.db2.gz OEUORHAEDZKAQF-IBGZPJMESA-N 2 2 302.462 3.366 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1CC ZINC001222243781 1095506983 /nfs/dbraw/zinc/50/69/83/1095506983.db2.gz OEUORHAEDZKAQF-IBGZPJMESA-N 2 2 302.462 3.366 20 0 DGADLP Fc1cc(F)c(CC[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1F ZINC001222264505 1095519180 /nfs/dbraw/zinc/51/91/80/1095519180.db2.gz CJJMEHIBARYRHZ-KRWDZBQOSA-N 2 2 312.379 3.112 20 0 DGADLP Fc1cc(F)c(CC[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1F ZINC001222264505 1095519188 /nfs/dbraw/zinc/51/91/88/1095519188.db2.gz CJJMEHIBARYRHZ-KRWDZBQOSA-N 2 2 312.379 3.112 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222277203 1095526300 /nfs/dbraw/zinc/52/63/00/1095526300.db2.gz LLGOVVKZUCHSSU-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222277203 1095526311 /nfs/dbraw/zinc/52/63/11/1095526311.db2.gz LLGOVVKZUCHSSU-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP Clc1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278003 1095526479 /nfs/dbraw/zinc/52/64/79/1095526479.db2.gz VLAXTLZRSCQMGR-QGZVFWFLSA-N 2 2 318.852 3.182 20 0 DGADLP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278003 1095526488 /nfs/dbraw/zinc/52/64/88/1095526488.db2.gz VLAXTLZRSCQMGR-QGZVFWFLSA-N 2 2 318.852 3.182 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222288035 1095531278 /nfs/dbraw/zinc/53/12/78/1095531278.db2.gz VBFGZQILIOKDDY-IBGZPJMESA-N 2 2 302.462 3.419 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222288035 1095531290 /nfs/dbraw/zinc/53/12/90/1095531290.db2.gz VBFGZQILIOKDDY-IBGZPJMESA-N 2 2 302.462 3.419 20 0 DGADLP CC(C)[N@H+](Cc1[nH]nc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC001144200689 1095551729 /nfs/dbraw/zinc/55/17/29/1095551729.db2.gz IWVMSHGOHYLHSL-UHFFFAOYSA-N 2 2 304.413 3.007 20 0 DGADLP CC(C)[N@@H+](Cc1[nH]nc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC001144200689 1095551738 /nfs/dbraw/zinc/55/17/38/1095551738.db2.gz IWVMSHGOHYLHSL-UHFFFAOYSA-N 2 2 304.413 3.007 20 0 DGADLP CCOc1nccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222326301 1095553387 /nfs/dbraw/zinc/55/33/87/1095553387.db2.gz UEVIZKGRQDKLSZ-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1nccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1Cl ZINC001222326301 1095553400 /nfs/dbraw/zinc/55/34/00/1095553400.db2.gz UEVIZKGRQDKLSZ-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2n1 ZINC001222390057 1095587848 /nfs/dbraw/zinc/58/78/48/1095587848.db2.gz KXOSSDPENVFDHI-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2n1 ZINC001222390057 1095587857 /nfs/dbraw/zinc/58/78/57/1095587857.db2.gz KXOSSDPENVFDHI-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2)n1 ZINC001222401134 1095595962 /nfs/dbraw/zinc/59/59/62/1095595962.db2.gz RQJYVNDAKFYIPB-HXUWFJFHSA-N 2 2 324.472 3.195 20 0 DGADLP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2)n1 ZINC001222401134 1095595972 /nfs/dbraw/zinc/59/59/72/1095595972.db2.gz RQJYVNDAKFYIPB-HXUWFJFHSA-N 2 2 324.472 3.195 20 0 DGADLP Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2)n1 ZINC001222401133 1095596508 /nfs/dbraw/zinc/59/65/08/1095596508.db2.gz RQJYVNDAKFYIPB-FQEVSTJZSA-N 2 2 324.472 3.195 20 0 DGADLP Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2)n1 ZINC001222401133 1095596520 /nfs/dbraw/zinc/59/65/20/1095596520.db2.gz RQJYVNDAKFYIPB-FQEVSTJZSA-N 2 2 324.472 3.195 20 0 DGADLP CCc1cccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)c1 ZINC001144324202 1095606503 /nfs/dbraw/zinc/60/65/03/1095606503.db2.gz ZWJVSKACRFLVEK-HXUWFJFHSA-N 2 2 316.489 3.324 20 0 DGADLP CCc1cccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)c1 ZINC001144324202 1095606508 /nfs/dbraw/zinc/60/65/08/1095606508.db2.gz ZWJVSKACRFLVEK-HXUWFJFHSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222477593 1095634758 /nfs/dbraw/zinc/63/47/58/1095634758.db2.gz NNTQKJSMSGMCML-LJQANCHMSA-N 2 2 302.462 3.419 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222477593 1095634764 /nfs/dbraw/zinc/63/47/64/1095634764.db2.gz NNTQKJSMSGMCML-LJQANCHMSA-N 2 2 302.462 3.419 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncoc1C(C)C ZINC001116765453 1095652867 /nfs/dbraw/zinc/65/28/67/1095652867.db2.gz KMEKFPXMDRPYAF-UHFFFAOYSA-N 2 2 304.438 3.469 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncoc1C(C)C ZINC001116765453 1095652870 /nfs/dbraw/zinc/65/28/70/1095652870.db2.gz KMEKFPXMDRPYAF-UHFFFAOYSA-N 2 2 304.438 3.469 20 0 DGADLP CC[N@H+](Cc1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC001137645857 1095698916 /nfs/dbraw/zinc/69/89/16/1095698916.db2.gz NJRJMFMVZLIICW-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC001137645857 1095698925 /nfs/dbraw/zinc/69/89/25/1095698925.db2.gz NJRJMFMVZLIICW-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP C[C@@H](C[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1)c1cccc2ccccc21 ZINC001222697093 1095724548 /nfs/dbraw/zinc/72/45/48/1095724548.db2.gz TVTJASMNODIGGZ-YSSFQJQWSA-N 2 2 310.441 3.006 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1)c1cccc2ccccc21 ZINC001222697093 1095724562 /nfs/dbraw/zinc/72/45/62/1095724562.db2.gz TVTJASMNODIGGZ-YSSFQJQWSA-N 2 2 310.441 3.006 20 0 DGADLP [NH3+][C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CCCCCC1 ZINC001340171606 1095893261 /nfs/dbraw/zinc/89/32/61/1095893261.db2.gz DERBKZVTDVDIHG-QGZVFWFLSA-N 2 2 312.417 3.109 20 0 DGADLP Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCC[NH2+]C2)c1 ZINC001118494404 1096020786 /nfs/dbraw/zinc/02/07/86/1096020786.db2.gz GJDKZXJOBLVUIR-IBGZPJMESA-N 2 2 309.457 3.392 20 0 DGADLP Cc1cccc(C[N@H+](Cc2ccccn2)C[C@H]2CCC[NH2+]C2)c1 ZINC001118494404 1096020798 /nfs/dbraw/zinc/02/07/98/1096020798.db2.gz GJDKZXJOBLVUIR-IBGZPJMESA-N 2 2 309.457 3.392 20 0 DGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001119316424 1096164483 /nfs/dbraw/zinc/16/44/83/1096164483.db2.gz NJVVRIKRSFMZSD-QGZVFWFLSA-N 2 2 300.406 3.150 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541734 1096224116 /nfs/dbraw/zinc/22/41/16/1096224116.db2.gz RYNPXNNNAHRIBF-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541734 1096224123 /nfs/dbraw/zinc/22/41/23/1096224123.db2.gz RYNPXNNNAHRIBF-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277122665 1096672059 /nfs/dbraw/zinc/67/20/59/1096672059.db2.gz QJFKLWNLVHLMFQ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277122665 1096672061 /nfs/dbraw/zinc/67/20/61/1096672061.db2.gz QJFKLWNLVHLMFQ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(OC)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277122665 1096672063 /nfs/dbraw/zinc/67/20/63/1096672063.db2.gz QJFKLWNLVHLMFQ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(OC)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277122665 1096672067 /nfs/dbraw/zinc/67/20/67/1096672067.db2.gz QJFKLWNLVHLMFQ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CC(C)C[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)n1cc[nH+]c1 ZINC001171409543 1096694411 /nfs/dbraw/zinc/69/44/11/1096694411.db2.gz OPLLRKNVHCFEMI-DLBZAZTESA-N 2 2 322.497 3.143 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001171475433 1096905278 /nfs/dbraw/zinc/90/52/78/1096905278.db2.gz CMUKQNZKQDNRII-KRWDZBQOSA-N 2 2 320.427 3.382 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506440 1096913306 /nfs/dbraw/zinc/91/33/06/1096913306.db2.gz XPVIWKRSDVTCBB-CHWSQXEVSA-N 2 2 312.379 3.034 20 0 DGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506440 1096913309 /nfs/dbraw/zinc/91/33/09/1096913309.db2.gz XPVIWKRSDVTCBB-CHWSQXEVSA-N 2 2 312.379 3.034 20 0 DGADLP C[N@H+](Cc1cnc2ccccn12)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631326 1096931235 /nfs/dbraw/zinc/93/12/35/1096931235.db2.gz GRBJEEZDYIKXRN-UHFFFAOYSA-N 2 2 314.477 3.418 20 0 DGADLP C[N@@H+](Cc1cnc2ccccn12)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631326 1096931238 /nfs/dbraw/zinc/93/12/38/1096931238.db2.gz GRBJEEZDYIKXRN-UHFFFAOYSA-N 2 2 314.477 3.418 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)C/C=C\Cl)cc2)C[C@H](C)O1 ZINC001171635700 1096948003 /nfs/dbraw/zinc/94/80/03/1096948003.db2.gz GJQMJJOVNFFBOO-KDLGDOBMSA-N 2 2 322.880 3.480 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)C/C=C\Cl)cc2)C[C@H](C)O1 ZINC001171635700 1096948006 /nfs/dbraw/zinc/94/80/06/1096948006.db2.gz GJQMJJOVNFFBOO-KDLGDOBMSA-N 2 2 322.880 3.480 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)C/C=C\Cl)cc2)C[C@H](C)O1 ZINC001171635700 1096948009 /nfs/dbraw/zinc/94/80/09/1096948009.db2.gz GJQMJJOVNFFBOO-KDLGDOBMSA-N 2 2 322.880 3.480 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171637417 1096948381 /nfs/dbraw/zinc/94/83/81/1096948381.db2.gz MTLOYUMUURABQY-UHFFFAOYSA-N 3 2 309.542 3.444 20 0 DGADLP C[C@H]1C[C@@H](NCc2[nH+]cn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001171739975 1096972908 /nfs/dbraw/zinc/97/29/08/1096972908.db2.gz RFSLWODBHSSCTR-FUHWJXTLSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1C[C@@H](NCc2[nH+]cn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC001171739975 1096972915 /nfs/dbraw/zinc/97/29/15/1096972915.db2.gz RFSLWODBHSSCTR-FUHWJXTLSA-N 2 2 320.440 3.087 20 0 DGADLP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784014 1096977833 /nfs/dbraw/zinc/97/78/33/1096977833.db2.gz HPNKTPJGIFLVEB-OAHLLOKOSA-N 2 2 316.449 3.013 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001171790240 1096979310 /nfs/dbraw/zinc/97/93/10/1096979310.db2.gz HBINUCRHUNKIPG-KRWDZBQOSA-N 2 2 302.437 3.243 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001171973523 1097021065 /nfs/dbraw/zinc/02/10/65/1097021065.db2.gz KAYWGGYFVHUOFW-ZDUSSCGKSA-N 2 2 312.379 3.416 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001171973523 1097021070 /nfs/dbraw/zinc/02/10/70/1097021070.db2.gz KAYWGGYFVHUOFW-ZDUSSCGKSA-N 2 2 312.379 3.416 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cccnn2)CC[N@@H+]1Cc1ccccc1 ZINC001171972049 1097021366 /nfs/dbraw/zinc/02/13/66/1097021366.db2.gz MHUOOYVHNUMPKS-QGZVFWFLSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cccnn2)CC[N@H+]1Cc1ccccc1 ZINC001171972049 1097021369 /nfs/dbraw/zinc/02/13/69/1097021369.db2.gz MHUOOYVHNUMPKS-QGZVFWFLSA-N 2 2 310.445 3.009 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977545 1097025377 /nfs/dbraw/zinc/02/53/77/1097025377.db2.gz FXELENKHDOGWEA-GOSISDBHSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977545 1097025382 /nfs/dbraw/zinc/02/53/82/1097025382.db2.gz FXELENKHDOGWEA-GOSISDBHSA-N 2 2 324.472 3.318 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCCC23COC3)CC[N@@H+]1Cc1ccccc1 ZINC001171985712 1097030272 /nfs/dbraw/zinc/03/02/72/1097030272.db2.gz ZEDILYXIDMGAOM-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCCC23COC3)CC[N@H+]1Cc1ccccc1 ZINC001171985712 1097030278 /nfs/dbraw/zinc/03/02/78/1097030278.db2.gz ZEDILYXIDMGAOM-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001171985712 1097030282 /nfs/dbraw/zinc/03/02/82/1097030282.db2.gz ZEDILYXIDMGAOM-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001171985712 1097030289 /nfs/dbraw/zinc/03/02/89/1097030289.db2.gz ZEDILYXIDMGAOM-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP Cn1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172065594 1097043984 /nfs/dbraw/zinc/04/39/84/1097043984.db2.gz OTFPBHNAEKELSJ-ACDBMABISA-N 2 2 324.472 3.095 20 0 DGADLP Cn1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172065594 1097043990 /nfs/dbraw/zinc/04/39/90/1097043990.db2.gz OTFPBHNAEKELSJ-ACDBMABISA-N 2 2 324.472 3.095 20 0 DGADLP NC1=C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC=C1 ZINC001172069088 1097045274 /nfs/dbraw/zinc/04/52/74/1097045274.db2.gz YSBDVBTXDXQMCO-PMOLBWCYSA-N 2 2 309.457 3.244 20 0 DGADLP NC1=C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC=C1 ZINC001172069088 1097045280 /nfs/dbraw/zinc/04/52/80/1097045280.db2.gz YSBDVBTXDXQMCO-PMOLBWCYSA-N 2 2 309.457 3.244 20 0 DGADLP NC1=C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC=C1 ZINC001172069088 1097045286 /nfs/dbraw/zinc/04/52/86/1097045286.db2.gz YSBDVBTXDXQMCO-PMOLBWCYSA-N 2 2 309.457 3.244 20 0 DGADLP NC1=C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC=C1 ZINC001172069088 1097045292 /nfs/dbraw/zinc/04/52/92/1097045292.db2.gz YSBDVBTXDXQMCO-PMOLBWCYSA-N 2 2 309.457 3.244 20 0 DGADLP c1cn(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001172069542 1097046385 /nfs/dbraw/zinc/04/63/85/1097046385.db2.gz UYIZMQGZLNEAOG-OWZKRDHZSA-N 3 2 324.472 3.058 20 0 DGADLP c1cn(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001172069542 1097046391 /nfs/dbraw/zinc/04/63/91/1097046391.db2.gz UYIZMQGZLNEAOG-OWZKRDHZSA-N 3 2 324.472 3.058 20 0 DGADLP C[C@H]1C(=O)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129878 1097049181 /nfs/dbraw/zinc/04/91/81/1097049181.db2.gz DTCOBVGBWDXXNM-MWDXBVQZSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129878 1097049187 /nfs/dbraw/zinc/04/91/87/1097049187.db2.gz DTCOBVGBWDXXNM-MWDXBVQZSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC001172129878 1097049189 /nfs/dbraw/zinc/04/91/89/1097049189.db2.gz DTCOBVGBWDXXNM-MWDXBVQZSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C12CCCC2 ZINC001172129878 1097049195 /nfs/dbraw/zinc/04/91/95/1097049195.db2.gz DTCOBVGBWDXXNM-MWDXBVQZSA-N 2 2 304.478 3.225 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131119 1097049635 /nfs/dbraw/zinc/04/96/35/1097049635.db2.gz VGZKENFSFYHVGX-INDMIFKZSA-N 2 2 312.457 3.207 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131119 1097049640 /nfs/dbraw/zinc/04/96/40/1097049640.db2.gz VGZKENFSFYHVGX-INDMIFKZSA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131119 1097049642 /nfs/dbraw/zinc/04/96/42/1097049642.db2.gz VGZKENFSFYHVGX-INDMIFKZSA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131119 1097049646 /nfs/dbraw/zinc/04/96/46/1097049646.db2.gz VGZKENFSFYHVGX-INDMIFKZSA-N 2 2 312.457 3.207 20 0 DGADLP COc1cc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC001172106170 1097055321 /nfs/dbraw/zinc/05/53/21/1097055321.db2.gz NBYNHRZPKULLLK-XYYAHUGASA-N 2 2 310.388 3.078 20 0 DGADLP COc1cc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC001172106170 1097055327 /nfs/dbraw/zinc/05/53/27/1097055327.db2.gz NBYNHRZPKULLLK-XYYAHUGASA-N 2 2 310.388 3.078 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120873 1097063650 /nfs/dbraw/zinc/06/36/50/1097063650.db2.gz GRMQLXUOAPQJHK-HAGHYFMRSA-N 3 2 319.537 3.342 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120873 1097063653 /nfs/dbraw/zinc/06/36/53/1097063653.db2.gz GRMQLXUOAPQJHK-HAGHYFMRSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120873 1097063658 /nfs/dbraw/zinc/06/36/58/1097063658.db2.gz GRMQLXUOAPQJHK-HAGHYFMRSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120873 1097063661 /nfs/dbraw/zinc/06/36/61/1097063661.db2.gz GRMQLXUOAPQJHK-HAGHYFMRSA-N 3 2 319.537 3.342 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119338 1097064630 /nfs/dbraw/zinc/06/46/30/1097064630.db2.gz YRVZPFMAMMAINL-AYDFFVQHSA-N 2 2 322.399 3.393 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119338 1097064635 /nfs/dbraw/zinc/06/46/35/1097064635.db2.gz YRVZPFMAMMAINL-AYDFFVQHSA-N 2 2 322.399 3.393 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123488 1097066564 /nfs/dbraw/zinc/06/65/64/1097066564.db2.gz DKUDRTDYHPQTKY-CENDIDJXSA-N 3 2 319.537 3.341 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123488 1097066569 /nfs/dbraw/zinc/06/65/69/1097066569.db2.gz DKUDRTDYHPQTKY-CENDIDJXSA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123488 1097066575 /nfs/dbraw/zinc/06/65/75/1097066575.db2.gz DKUDRTDYHPQTKY-CENDIDJXSA-N 3 2 319.537 3.341 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001172402544 1097145337 /nfs/dbraw/zinc/14/53/37/1097145337.db2.gz NWYFRHZURKHHPW-GUDVDZBRSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)OCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172436933 1097153024 /nfs/dbraw/zinc/15/30/24/1097153024.db2.gz XPTJRBIMUYMTAE-INIZCTEOSA-N 2 2 305.466 3.091 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206165868 1097176643 /nfs/dbraw/zinc/17/66/43/1097176643.db2.gz PMQMIRYJYOEXST-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206165868 1097176645 /nfs/dbraw/zinc/17/66/45/1097176645.db2.gz PMQMIRYJYOEXST-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)CC2 ZINC001172728048 1097219398 /nfs/dbraw/zinc/21/93/98/1097219398.db2.gz WCBVMBMYUOQBSG-KRWDZBQOSA-N 2 2 306.494 3.332 20 0 DGADLP C1CCC2(C1)CCC([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)CC2 ZINC001172728048 1097219402 /nfs/dbraw/zinc/21/94/02/1097219402.db2.gz WCBVMBMYUOQBSG-KRWDZBQOSA-N 2 2 306.494 3.332 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001172838340 1097256097 /nfs/dbraw/zinc/25/60/97/1097256097.db2.gz NZEOOSXLEYBSBK-RTWAWAEBSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001172838340 1097256100 /nfs/dbraw/zinc/25/61/00/1097256100.db2.gz NZEOOSXLEYBSBK-RTWAWAEBSA-N 2 2 306.453 3.238 20 0 DGADLP CC[NH+](CC)C1CCC([N@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001173114030 1097333323 /nfs/dbraw/zinc/33/33/23/1097333323.db2.gz SVYKRQTVIXVLHQ-UHFFFAOYSA-N 3 2 309.542 3.444 20 0 DGADLP CC[NH+](CC)C1CCC([N@@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001173114030 1097333328 /nfs/dbraw/zinc/33/33/28/1097333328.db2.gz SVYKRQTVIXVLHQ-UHFFFAOYSA-N 3 2 309.542 3.444 20 0 DGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3ncsc3C2)c1 ZINC001173131269 1097338596 /nfs/dbraw/zinc/33/85/96/1097338596.db2.gz JKQVTICCGUAQKK-AWEZNQCLSA-N 2 2 310.426 3.195 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197151 1097359699 /nfs/dbraw/zinc/35/96/99/1097359699.db2.gz CQICBLHQGHIOIO-TVRKMHQQSA-N 2 2 302.462 3.449 20 0 DGADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197151 1097359706 /nfs/dbraw/zinc/35/97/06/1097359706.db2.gz CQICBLHQGHIOIO-TVRKMHQQSA-N 2 2 302.462 3.449 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001173263215 1097389167 /nfs/dbraw/zinc/38/91/67/1097389167.db2.gz GYPNHMRSVCFOKJ-APWZRJJASA-N 2 2 302.462 3.187 20 0 DGADLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001173293029 1097398680 /nfs/dbraw/zinc/39/86/80/1097398680.db2.gz VKLVOQOIOXVRQH-HNNXBMFYSA-N 2 2 322.518 3.391 20 0 DGADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001173302053 1097403737 /nfs/dbraw/zinc/40/37/37/1097403737.db2.gz NUYMZYJWUYEJMR-RYQLBKOJSA-N 2 2 322.518 3.007 20 0 DGADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001173302053 1097403740 /nfs/dbraw/zinc/40/37/40/1097403740.db2.gz NUYMZYJWUYEJMR-RYQLBKOJSA-N 2 2 322.518 3.007 20 0 DGADLP COC(=O)CCCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001173447250 1097449381 /nfs/dbraw/zinc/44/93/81/1097449381.db2.gz CGUPWMXIGQDELH-OAHLLOKOSA-N 2 2 320.433 3.047 20 0 DGADLP Cn1cc[nH+]c1CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173686247 1097495867 /nfs/dbraw/zinc/49/58/67/1097495867.db2.gz MCDWLSYLYLUBCW-UHFFFAOYSA-N 2 2 309.457 3.379 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001231084150 1097665127 /nfs/dbraw/zinc/66/51/27/1097665127.db2.gz YRARNPWBADVHNA-HGKCTWBKSA-N 2 2 311.429 3.196 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001231084150 1097665131 /nfs/dbraw/zinc/66/51/31/1097665131.db2.gz YRARNPWBADVHNA-HGKCTWBKSA-N 2 2 311.429 3.196 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3c[nH]nc3c2)C2CCCC2)CC1 ZINC001231908791 1097887730 /nfs/dbraw/zinc/88/77/30/1097887730.db2.gz JFMLFNZJZCENKJ-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3c[nH]nc3c2)C2CCCC2)CC1 ZINC001231908791 1097887736 /nfs/dbraw/zinc/88/77/36/1097887736.db2.gz JFMLFNZJZCENKJ-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CN(CC[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232016800 1097917981 /nfs/dbraw/zinc/91/79/81/1097917981.db2.gz HXJLUKIKKTWRFS-UHFFFAOYSA-N 2 2 308.429 3.127 20 0 DGADLP CN(CC[N@@H+](C)Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232016800 1097917982 /nfs/dbraw/zinc/91/79/82/1097917982.db2.gz HXJLUKIKKTWRFS-UHFFFAOYSA-N 2 2 308.429 3.127 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)c1 ZINC001232187198 1097959269 /nfs/dbraw/zinc/95/92/69/1097959269.db2.gz FEOIZXRHXIDYMJ-UHFFFAOYSA-N 2 2 315.461 3.012 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)c1 ZINC001232187198 1097959274 /nfs/dbraw/zinc/95/92/74/1097959274.db2.gz FEOIZXRHXIDYMJ-UHFFFAOYSA-N 2 2 315.461 3.012 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001232354095 1098013135 /nfs/dbraw/zinc/01/31/35/1098013135.db2.gz DRAWTHQFVWRALE-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001232354095 1098013139 /nfs/dbraw/zinc/01/31/39/1098013139.db2.gz DRAWTHQFVWRALE-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP CC(C)OCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277657811 1098018430 /nfs/dbraw/zinc/01/84/30/1098018430.db2.gz NEJOFUTYHSFQEX-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP CC(C)OCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277657811 1098018435 /nfs/dbraw/zinc/01/84/35/1098018435.db2.gz NEJOFUTYHSFQEX-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP CC(C)OCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277657811 1098018441 /nfs/dbraw/zinc/01/84/41/1098018441.db2.gz NEJOFUTYHSFQEX-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP CC(C)OCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277657811 1098018447 /nfs/dbraw/zinc/01/84/47/1098018447.db2.gz NEJOFUTYHSFQEX-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](CCOc1cccc3ccccc31)CC2 ZINC001175522940 1098081649 /nfs/dbraw/zinc/08/16/49/1098081649.db2.gz NGMVHALDWHPSJD-UHFFFAOYSA-N 2 2 319.408 3.254 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](CCOc1cccc3ccccc31)CC2 ZINC001175522940 1098081654 /nfs/dbraw/zinc/08/16/54/1098081654.db2.gz NGMVHALDWHPSJD-UHFFFAOYSA-N 2 2 319.408 3.254 20 0 DGADLP COc1cccc(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001232619905 1098095958 /nfs/dbraw/zinc/09/59/58/1098095958.db2.gz IKYYMZINHHEEBX-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP CN(CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001175668564 1098131735 /nfs/dbraw/zinc/13/17/35/1098131735.db2.gz CIIORVRYLWFOEW-FQEVSTJZSA-N 2 2 320.440 3.350 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cccc(O)c3Cl)CC2)cc[nH+]1 ZINC001232789763 1098136649 /nfs/dbraw/zinc/13/66/49/1098136649.db2.gz RSGYACLWGROZCJ-UHFFFAOYSA-N 2 2 317.820 3.071 20 0 DGADLP Oc1ccc2[nH]cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c2c1 ZINC001232865282 1098157179 /nfs/dbraw/zinc/15/71/79/1098157179.db2.gz TVFKRFTZLHNLKB-UHFFFAOYSA-N 2 2 323.396 3.312 20 0 DGADLP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881126 1098186185 /nfs/dbraw/zinc/18/61/85/1098186185.db2.gz JVIZGVSQSZDYHB-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP C[NH+]1CCC(C2CC[NH+](Cc3cc(O)c(F)c(F)c3)CC2)CC1 ZINC001232972149 1098188103 /nfs/dbraw/zinc/18/81/03/1098188103.db2.gz URVXRVHSPQKQPD-UHFFFAOYSA-N 2 2 324.415 3.224 20 0 DGADLP Cc1cc(Nc2cc(Br)cn3cc[nH+]c23)cc(C)[nH+]1 ZINC001176051241 1098250583 /nfs/dbraw/zinc/25/05/83/1098250583.db2.gz CFMVYOOLUQXQCS-UHFFFAOYSA-N 2 2 317.190 3.274 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3nccn32)C2CCCC2)CC1 ZINC001233364348 1098301960 /nfs/dbraw/zinc/30/19/60/1098301960.db2.gz FUYOSAGFMPOGOH-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3nccn32)C2CCCC2)CC1 ZINC001233364348 1098301966 /nfs/dbraw/zinc/30/19/66/1098301966.db2.gz FUYOSAGFMPOGOH-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC001233363199 1098302112 /nfs/dbraw/zinc/30/21/12/1098302112.db2.gz MVEYIYGBOVWELA-QGZVFWFLSA-N 2 2 320.440 3.213 20 0 DGADLP CC(C)[N@H+](Cc1cnc2cccc(Cl)n12)C1CC[NH+](C)CC1 ZINC001233360325 1098302422 /nfs/dbraw/zinc/30/24/22/1098302422.db2.gz IPYNVFWHMQJOJH-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP CC(C)[N@@H+](Cc1cnc2cccc(Cl)n12)C1CC[NH+](C)CC1 ZINC001233360325 1098302427 /nfs/dbraw/zinc/30/24/27/1098302427.db2.gz IPYNVFWHMQJOJH-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP CC[C@H](C)[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001277807646 1098431526 /nfs/dbraw/zinc/43/15/26/1098431526.db2.gz OXRFXXSHORFMBO-HNNXBMFYSA-N 2 2 312.461 3.259 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)OC)CC2 ZINC001277815875 1098449881 /nfs/dbraw/zinc/44/98/81/1098449881.db2.gz IKJGJTCJMOMHTI-KRWDZBQOSA-N 2 2 324.509 3.164 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CC(=O)OC)CC2 ZINC001277815875 1098449884 /nfs/dbraw/zinc/44/98/84/1098449884.db2.gz IKJGJTCJMOMHTI-KRWDZBQOSA-N 2 2 324.509 3.164 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001177061793 1098469654 /nfs/dbraw/zinc/46/96/54/1098469654.db2.gz VMHIVHDIMDGSIE-LJQANCHMSA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001177061793 1098469656 /nfs/dbraw/zinc/46/96/56/1098469656.db2.gz VMHIVHDIMDGSIE-LJQANCHMSA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC001177199800 1098487902 /nfs/dbraw/zinc/48/79/02/1098487902.db2.gz NVGMYAXKTPBNDJ-MRXNPFEDSA-N 2 2 323.506 3.205 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](CF)C2)ccc1-n1cc[nH+]c1 ZINC001234066230 1098488876 /nfs/dbraw/zinc/48/88/76/1098488876.db2.gz JSLHIHIVMRHYFQ-OAHLLOKOSA-N 2 2 303.381 3.062 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](CF)C2)ccc1-n1cc[nH+]c1 ZINC001234066230 1098488881 /nfs/dbraw/zinc/48/88/81/1098488881.db2.gz JSLHIHIVMRHYFQ-OAHLLOKOSA-N 2 2 303.381 3.062 20 0 DGADLP COc1cc(C[NH+]2CCC(SC)CC2)ccc1-n1cc[nH+]c1 ZINC001234067389 1098489335 /nfs/dbraw/zinc/48/93/35/1098489335.db2.gz SUADUTXXNYITRX-UHFFFAOYSA-N 2 2 317.458 3.208 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(C)[nH+]1 ZINC001234645905 1098628767 /nfs/dbraw/zinc/62/87/67/1098628767.db2.gz UYLRMTJOJCWDHE-UHFFFAOYSA-N 3 2 324.472 3.125 20 0 DGADLP CCN(Cc1[nH]c(C)[nH+]c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001234644566 1098628847 /nfs/dbraw/zinc/62/88/47/1098628847.db2.gz GCYQMKIMCUSSIO-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP CCN(Cc1[nH]c(C)[nH+]c1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001234644566 1098628853 /nfs/dbraw/zinc/62/88/53/1098628853.db2.gz GCYQMKIMCUSSIO-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC001234992314 1098736571 /nfs/dbraw/zinc/73/65/71/1098736571.db2.gz IFYGLFAOCVVPLL-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC001234992314 1098736581 /nfs/dbraw/zinc/73/65/81/1098736581.db2.gz IFYGLFAOCVVPLL-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992578 1098736625 /nfs/dbraw/zinc/73/66/25/1098736625.db2.gz KTXWAOXUCUJKPP-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992578 1098736634 /nfs/dbraw/zinc/73/66/34/1098736634.db2.gz KTXWAOXUCUJKPP-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1N1CCCC1 ZINC001234998341 1098741140 /nfs/dbraw/zinc/74/11/40/1098741140.db2.gz HTOPUFRTWZHNIU-LJQANCHMSA-N 2 2 317.452 3.001 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1N1CCCC1 ZINC001234998341 1098741144 /nfs/dbraw/zinc/74/11/44/1098741144.db2.gz HTOPUFRTWZHNIU-LJQANCHMSA-N 2 2 317.452 3.001 20 0 DGADLP Clc1cccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)o2)c1 ZINC001235024098 1098754748 /nfs/dbraw/zinc/75/47/48/1098754748.db2.gz KXZGJIIUZROQOY-UHFFFAOYSA-N 2 2 302.805 3.395 20 0 DGADLP Clc1cccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)o2)c1 ZINC001235024098 1098754759 /nfs/dbraw/zinc/75/47/59/1098754759.db2.gz KXZGJIIUZROQOY-UHFFFAOYSA-N 2 2 302.805 3.395 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031290 1098759008 /nfs/dbraw/zinc/75/90/08/1098759008.db2.gz FMDIGBSTMXWRKG-INIZCTEOSA-N 2 2 323.278 3.197 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031290 1098759016 /nfs/dbraw/zinc/75/90/16/1098759016.db2.gz FMDIGBSTMXWRKG-INIZCTEOSA-N 2 2 323.278 3.197 20 0 DGADLP COc1ccc(Oc2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235027271 1098759163 /nfs/dbraw/zinc/75/91/63/1098759163.db2.gz ZTEODJGEGODFKK-OXJNMPFZSA-N 2 2 324.424 3.281 20 0 DGADLP COc1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235027271 1098759174 /nfs/dbraw/zinc/75/91/74/1098759174.db2.gz ZTEODJGEGODFKK-OXJNMPFZSA-N 2 2 324.424 3.281 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235046243 1098774252 /nfs/dbraw/zinc/77/42/52/1098774252.db2.gz OARKCGLNMVSDIW-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235046243 1098774260 /nfs/dbraw/zinc/77/42/60/1098774260.db2.gz OARKCGLNMVSDIW-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3CCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001235114325 1098815880 /nfs/dbraw/zinc/81/58/80/1098815880.db2.gz LBRJQKFIXKOZPI-HXUWFJFHSA-N 2 2 308.425 3.387 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3CCC[C@]34CC[NH2+]C4)cc2)cc1 ZINC001235114325 1098815894 /nfs/dbraw/zinc/81/58/94/1098815894.db2.gz LBRJQKFIXKOZPI-HXUWFJFHSA-N 2 2 308.425 3.387 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c(C)c1C ZINC001235119198 1098821585 /nfs/dbraw/zinc/82/15/85/1098821585.db2.gz YFVGUUVCFJUUEW-LJQANCHMSA-N 2 2 302.462 3.338 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c(C)c1C ZINC001235119198 1098821600 /nfs/dbraw/zinc/82/16/00/1098821600.db2.gz YFVGUUVCFJUUEW-LJQANCHMSA-N 2 2 302.462 3.338 20 0 DGADLP Cc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(Br)c1 ZINC001235140860 1098832780 /nfs/dbraw/zinc/83/27/80/1098832780.db2.gz OEABTCNTCYDWNB-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(Br)c1 ZINC001235140860 1098832787 /nfs/dbraw/zinc/83/27/87/1098832787.db2.gz OEABTCNTCYDWNB-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1c3ccccc3[nH]c1-c1ccccc1)C2 ZINC001235146036 1098835358 /nfs/dbraw/zinc/83/53/58/1098835358.db2.gz GQKKOYAOAGWCSJ-YWZLYKJASA-N 2 2 303.409 3.368 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1c3ccccc3[nH]c1-c1ccccc1)C2 ZINC001235146036 1098835364 /nfs/dbraw/zinc/83/53/64/1098835364.db2.gz GQKKOYAOAGWCSJ-YWZLYKJASA-N 2 2 303.409 3.368 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001235193056 1098871021 /nfs/dbraw/zinc/87/10/21/1098871021.db2.gz KKGPVWYRTRPWEG-VXGBXAGGSA-N 2 2 318.770 3.400 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001235193056 1098871024 /nfs/dbraw/zinc/87/10/24/1098871024.db2.gz KKGPVWYRTRPWEG-VXGBXAGGSA-N 2 2 318.770 3.400 20 0 DGADLP Fc1ccc2[nH]nc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235237834 1098911370 /nfs/dbraw/zinc/91/13/70/1098911370.db2.gz DEBKJFIJDIKDFF-MRXNPFEDSA-N 2 2 316.424 3.056 20 0 DGADLP Oc1cc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235243705 1098915620 /nfs/dbraw/zinc/91/56/20/1098915620.db2.gz XLZUHLNLVJUCFQ-KRWDZBQOSA-N 2 2 310.388 3.025 20 0 DGADLP Cc1ccc(-c2cncc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)c2)cc1 ZINC001235247296 1098920926 /nfs/dbraw/zinc/92/09/26/1098920926.db2.gz FGLSPLRTLTWVEE-WOJBJXKFSA-N 2 2 307.441 3.370 20 0 DGADLP Cc1ccc(-c2cncc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)c2)cc1 ZINC001235247296 1098920930 /nfs/dbraw/zinc/92/09/30/1098920930.db2.gz FGLSPLRTLTWVEE-WOJBJXKFSA-N 2 2 307.441 3.370 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cnc1-c1ccccc1 ZINC001235248699 1098922403 /nfs/dbraw/zinc/92/24/03/1098922403.db2.gz YWQGJHZWAMHJNT-UYAOXDASSA-N 2 2 307.441 3.370 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cnc1-c1ccccc1 ZINC001235248699 1098922411 /nfs/dbraw/zinc/92/24/11/1098922411.db2.gz YWQGJHZWAMHJNT-UYAOXDASSA-N 2 2 307.441 3.370 20 0 DGADLP Clc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)nc1 ZINC001235255470 1098927931 /nfs/dbraw/zinc/92/79/31/1098927931.db2.gz IVBYKTOCSGWTOM-MAUKXSAKSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)nc1 ZINC001235255470 1098927936 /nfs/dbraw/zinc/92/79/36/1098927936.db2.gz IVBYKTOCSGWTOM-MAUKXSAKSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC001235259276 1098931567 /nfs/dbraw/zinc/93/15/67/1098931567.db2.gz UVNKFZDPMSMTFF-MAUKXSAKSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC001235259276 1098931575 /nfs/dbraw/zinc/93/15/75/1098931575.db2.gz UVNKFZDPMSMTFF-MAUKXSAKSA-N 2 2 313.832 3.196 20 0 DGADLP Cc1cnc(F)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001235337781 1098962810 /nfs/dbraw/zinc/96/28/10/1098962810.db2.gz GFIMJQZGSKCKFK-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cnc(F)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001235337781 1098962818 /nfs/dbraw/zinc/96/28/18/1098962818.db2.gz GFIMJQZGSKCKFK-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cnc(F)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001235337781 1098962826 /nfs/dbraw/zinc/96/28/26/1098962826.db2.gz GFIMJQZGSKCKFK-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cnc(F)c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001235337781 1098962833 /nfs/dbraw/zinc/96/28/33/1098962833.db2.gz GFIMJQZGSKCKFK-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001179067234 1099010020 /nfs/dbraw/zinc/01/00/20/1099010020.db2.gz OHGJIZKZEHOEQE-HNNXBMFYSA-N 2 2 319.276 3.176 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679892 1099124382 /nfs/dbraw/zinc/12/43/82/1099124382.db2.gz SAHXYOXNCRRQPF-QUCCMNQESA-N 2 2 310.441 3.402 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679892 1099124385 /nfs/dbraw/zinc/12/43/85/1099124385.db2.gz SAHXYOXNCRRQPF-QUCCMNQESA-N 2 2 310.441 3.402 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)cc2)c[nH+]1 ZINC001235701048 1099133835 /nfs/dbraw/zinc/13/38/35/1099133835.db2.gz DNCPTNJOKSQWGX-UHFFFAOYSA-N 3 2 324.472 3.084 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](CC(C)(C)CO)C2)C1 ZINC001277963794 1099138216 /nfs/dbraw/zinc/13/82/16/1099138216.db2.gz UOYAATHZRQXZQZ-KRWDZBQOSA-N 2 2 310.526 3.229 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](CC(C)(C)CO)C2)C1 ZINC001277963794 1099138219 /nfs/dbraw/zinc/13/82/19/1099138219.db2.gz UOYAATHZRQXZQZ-KRWDZBQOSA-N 2 2 310.526 3.229 20 0 DGADLP CC[NH2+]C1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC001235726905 1099149563 /nfs/dbraw/zinc/14/95/63/1099149563.db2.gz QCQZUYLGNPLFJQ-UHFFFAOYSA-N 2 2 302.462 3.364 20 0 DGADLP COCCC[N@H+](Cc1csc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001235806391 1099187978 /nfs/dbraw/zinc/18/79/78/1099187978.db2.gz NOSMUXDWZVEVMC-MRXNPFEDSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@@H+](Cc1csc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001235806391 1099187982 /nfs/dbraw/zinc/18/79/82/1099187982.db2.gz NOSMUXDWZVEVMC-MRXNPFEDSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC001235805886 1099188024 /nfs/dbraw/zinc/18/80/24/1099188024.db2.gz GWCRFJCZXORSSS-MRXNPFEDSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC001235805886 1099188028 /nfs/dbraw/zinc/18/80/28/1099188028.db2.gz GWCRFJCZXORSSS-MRXNPFEDSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001235807774 1099188759 /nfs/dbraw/zinc/18/87/59/1099188759.db2.gz WIKNSMGMTJPLIM-MRXNPFEDSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001235807774 1099188763 /nfs/dbraw/zinc/18/87/63/1099188763.db2.gz WIKNSMGMTJPLIM-MRXNPFEDSA-N 2 2 302.418 3.023 20 0 DGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909084 1099250766 /nfs/dbraw/zinc/25/07/66/1099250766.db2.gz YYIJUZWKIPRMHH-DOTOQJQBSA-N 2 2 320.440 3.337 20 0 DGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909084 1099250771 /nfs/dbraw/zinc/25/07/71/1099250771.db2.gz YYIJUZWKIPRMHH-DOTOQJQBSA-N 2 2 320.440 3.337 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235950479 1099282524 /nfs/dbraw/zinc/28/25/24/1099282524.db2.gz HWVLUQRKIXSKSO-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235950479 1099282530 /nfs/dbraw/zinc/28/25/30/1099282530.db2.gz HWVLUQRKIXSKSO-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1F)C[C@@H]1CCC[NH2+]C1 ZINC001235951370 1099286058 /nfs/dbraw/zinc/28/60/58/1099286058.db2.gz RMDPYJODYLAYKX-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1F)C[C@@H]1CCC[NH2+]C1 ZINC001235951370 1099286067 /nfs/dbraw/zinc/28/60/67/1099286067.db2.gz RMDPYJODYLAYKX-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cs2)cc1 ZINC001235959686 1099291359 /nfs/dbraw/zinc/29/13/59/1099291359.db2.gz ZROZBIXXUPVWHC-SCAQPMJSSA-N 2 2 313.470 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cs2)cc1 ZINC001235959686 1099291362 /nfs/dbraw/zinc/29/13/62/1099291362.db2.gz ZROZBIXXUPVWHC-SCAQPMJSSA-N 2 2 313.470 3.288 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985695 1099310491 /nfs/dbraw/zinc/31/04/91/1099310491.db2.gz CTLSAWZEMXIIPH-FPOVZHCZSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985695 1099310506 /nfs/dbraw/zinc/31/05/06/1099310506.db2.gz CTLSAWZEMXIIPH-FPOVZHCZSA-N 2 2 322.452 3.497 20 0 DGADLP CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH]1 ZINC001236012506 1099336775 /nfs/dbraw/zinc/33/67/75/1099336775.db2.gz NAUXCXRNVBNWMN-UTKZUKDTSA-N 2 2 323.484 3.285 20 0 DGADLP CC(C)(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH]1 ZINC001236012506 1099336787 /nfs/dbraw/zinc/33/67/87/1099336787.db2.gz NAUXCXRNVBNWMN-UTKZUKDTSA-N 2 2 323.484 3.285 20 0 DGADLP CCCCCC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180158417 1099336838 /nfs/dbraw/zinc/33/68/38/1099336838.db2.gz KJQXIEVKRXJVDQ-UHFFFAOYSA-N 2 2 322.497 3.107 20 0 DGADLP CC[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236011251 1099336907 /nfs/dbraw/zinc/33/69/07/1099336907.db2.gz WGAODHSGWPGHSQ-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236011251 1099336921 /nfs/dbraw/zinc/33/69/21/1099336921.db2.gz WGAODHSGWPGHSQ-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051295 1099353971 /nfs/dbraw/zinc/35/39/71/1099353971.db2.gz LTOIIJUAQLFWMB-LPHOPBHVSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051295 1099353989 /nfs/dbraw/zinc/35/39/89/1099353989.db2.gz LTOIIJUAQLFWMB-LPHOPBHVSA-N 2 2 310.441 3.435 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236066885 1099365499 /nfs/dbraw/zinc/36/54/99/1099365499.db2.gz KGVVKLADGPJQPV-LBPRGKRZSA-N 2 2 311.267 3.053 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236066885 1099365508 /nfs/dbraw/zinc/36/55/08/1099365508.db2.gz KGVVKLADGPJQPV-LBPRGKRZSA-N 2 2 311.267 3.053 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001236066060 1099366120 /nfs/dbraw/zinc/36/61/20/1099366120.db2.gz DQOIKBZUROGWQZ-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001236066060 1099366122 /nfs/dbraw/zinc/36/61/22/1099366122.db2.gz DQOIKBZUROGWQZ-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236066882 1099366598 /nfs/dbraw/zinc/36/65/98/1099366598.db2.gz KGVVKLADGPJQPV-GFCCVEGCSA-N 2 2 311.267 3.053 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236066882 1099366610 /nfs/dbraw/zinc/36/66/10/1099366610.db2.gz KGVVKLADGPJQPV-GFCCVEGCSA-N 2 2 311.267 3.053 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072771 1099369350 /nfs/dbraw/zinc/36/93/50/1099369350.db2.gz WWKJCMYYDDWGBR-YGRLFVJLSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072771 1099369361 /nfs/dbraw/zinc/36/93/61/1099369361.db2.gz WWKJCMYYDDWGBR-YGRLFVJLSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001236086770 1099378826 /nfs/dbraw/zinc/37/88/26/1099378826.db2.gz SQBBDFHZKZBVAN-DOMZBBRYSA-N 2 2 320.383 3.282 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001236086770 1099378837 /nfs/dbraw/zinc/37/88/37/1099378837.db2.gz SQBBDFHZKZBVAN-DOMZBBRYSA-N 2 2 320.383 3.282 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001236093196 1099382011 /nfs/dbraw/zinc/38/20/11/1099382011.db2.gz GWYPJPKIZQDOGL-ACJLOTCBSA-N 2 2 314.404 3.280 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001236093196 1099382023 /nfs/dbraw/zinc/38/20/23/1099382023.db2.gz GWYPJPKIZQDOGL-ACJLOTCBSA-N 2 2 314.404 3.280 20 0 DGADLP c1csc([C@@H]2C[NH2+]CCN2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001236112402 1099399784 /nfs/dbraw/zinc/39/97/84/1099399784.db2.gz FBJURAKXTTYYFR-KRWDZBQOSA-N 2 2 324.453 3.080 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228737 1099484526 /nfs/dbraw/zinc/48/45/26/1099484526.db2.gz YTGSTCQEKCCPTI-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cccc(Br)c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228737 1099484532 /nfs/dbraw/zinc/48/45/32/1099484532.db2.gz YTGSTCQEKCCPTI-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207482 1099464330 /nfs/dbraw/zinc/46/43/30/1099464330.db2.gz QSOFZZZYDVQSFL-SFHVURJKSA-N 2 2 301.409 3.395 20 0 DGADLP C[N@@H+](Cc1c[nH]c(-c2ccccc2F)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207482 1099464340 /nfs/dbraw/zinc/46/43/40/1099464340.db2.gz QSOFZZZYDVQSFL-SFHVURJKSA-N 2 2 301.409 3.395 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216734 1099473293 /nfs/dbraw/zinc/47/32/93/1099473293.db2.gz MCHFKMFHUVSWJG-IRXDYDNUSA-N 2 2 318.852 3.227 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217275 1099473652 /nfs/dbraw/zinc/47/36/52/1099473652.db2.gz OULRDOHPDUMPPR-GJZGRUSLSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217275 1099473661 /nfs/dbraw/zinc/47/36/61/1099473661.db2.gz OULRDOHPDUMPPR-GJZGRUSLSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217715 1099473752 /nfs/dbraw/zinc/47/37/52/1099473752.db2.gz PVXZCCLOSQZRIR-UONOGXRCSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217715 1099473762 /nfs/dbraw/zinc/47/37/62/1099473762.db2.gz PVXZCCLOSQZRIR-UONOGXRCSA-N 2 2 315.230 3.290 20 0 DGADLP COc1c(F)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217578 1099474553 /nfs/dbraw/zinc/47/45/53/1099474553.db2.gz PFQBLMVSWUHZHP-UONOGXRCSA-N 2 2 300.805 3.189 20 0 DGADLP COc1c(F)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217578 1099474559 /nfs/dbraw/zinc/47/45/59/1099474559.db2.gz PFQBLMVSWUHZHP-UONOGXRCSA-N 2 2 300.805 3.189 20 0 DGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219442 1099478420 /nfs/dbraw/zinc/47/84/20/1099478420.db2.gz WHODJXXYWGWJLP-HOTGVXAUSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219442 1099478425 /nfs/dbraw/zinc/47/84/25/1099478425.db2.gz WHODJXXYWGWJLP-HOTGVXAUSA-N 2 2 306.450 3.184 20 0 DGADLP c1cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(-c2ccncc2)c1 ZINC001236241107 1099495500 /nfs/dbraw/zinc/49/55/00/1099495500.db2.gz RLQMUJFTZYJIEC-FQEVSTJZSA-N 2 2 307.441 3.465 20 0 DGADLP c1cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(-c2ccncc2)c1 ZINC001236241107 1099495506 /nfs/dbraw/zinc/49/55/06/1099495506.db2.gz RLQMUJFTZYJIEC-FQEVSTJZSA-N 2 2 307.441 3.465 20 0 DGADLP CCC(=O)C(C)(C)C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270481 1099512339 /nfs/dbraw/zinc/51/23/39/1099512339.db2.gz UTOOHRMLAUHJIK-QGZVFWFLSA-N 2 2 302.462 3.246 20 0 DGADLP CCC(=O)C(C)(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270481 1099512350 /nfs/dbraw/zinc/51/23/50/1099512350.db2.gz UTOOHRMLAUHJIK-QGZVFWFLSA-N 2 2 302.462 3.246 20 0 DGADLP C[C@@H](C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[NH+](C)C ZINC001180861490 1099518058 /nfs/dbraw/zinc/51/80/58/1099518058.db2.gz CCQJARTWYGPWGB-HNNXBMFYSA-N 2 2 323.440 3.091 20 0 DGADLP C[C@@H](C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[NH+](C)C ZINC001180861490 1099518071 /nfs/dbraw/zinc/51/80/71/1099518071.db2.gz CCQJARTWYGPWGB-HNNXBMFYSA-N 2 2 323.440 3.091 20 0 DGADLP OCCCCCC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001236313899 1099529125 /nfs/dbraw/zinc/52/91/25/1099529125.db2.gz DEHBZQLZXLECME-LJQANCHMSA-N 2 2 304.478 3.183 20 0 DGADLP OCCCCCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001236313899 1099529136 /nfs/dbraw/zinc/52/91/36/1099529136.db2.gz DEHBZQLZXLECME-LJQANCHMSA-N 2 2 304.478 3.183 20 0 DGADLP CCC[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236323602 1099537746 /nfs/dbraw/zinc/53/77/46/1099537746.db2.gz HJNIAEGPJWBFBY-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236323602 1099537758 /nfs/dbraw/zinc/53/77/58/1099537758.db2.gz HJNIAEGPJWBFBY-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@H+](Cc1cc(C)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC001236323316 1099538147 /nfs/dbraw/zinc/53/81/47/1099538147.db2.gz DLNUOFNPBHMECU-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1cc(C)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC001236323316 1099538155 /nfs/dbraw/zinc/53/81/55/1099538155.db2.gz DLNUOFNPBHMECU-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CCCN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC001236324366 1099539113 /nfs/dbraw/zinc/53/91/13/1099539113.db2.gz PJPPENUQOGZOEL-MRXNPFEDSA-N 2 2 318.852 3.100 20 0 DGADLP Fc1cccc(C[N@H+](CCC2CCOCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236391020 1099569467 /nfs/dbraw/zinc/56/94/67/1099569467.db2.gz GBVYOQKXSDKLGB-IBGZPJMESA-N 2 2 320.452 3.196 20 0 DGADLP Fc1cccc(C[N@@H+](CCC2CCOCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236391020 1099569477 /nfs/dbraw/zinc/56/94/77/1099569477.db2.gz GBVYOQKXSDKLGB-IBGZPJMESA-N 2 2 320.452 3.196 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236407404 1099581404 /nfs/dbraw/zinc/58/14/04/1099581404.db2.gz DZNCISNENBJNON-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236407404 1099581417 /nfs/dbraw/zinc/58/14/17/1099581417.db2.gz DZNCISNENBJNON-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236414008 1099587457 /nfs/dbraw/zinc/58/74/57/1099587457.db2.gz PVZJLZBHALNQAY-HALDLXJZSA-N 2 2 302.805 3.250 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236414008 1099587468 /nfs/dbraw/zinc/58/74/68/1099587468.db2.gz PVZJLZBHALNQAY-HALDLXJZSA-N 2 2 302.805 3.250 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236420522 1099595032 /nfs/dbraw/zinc/59/50/32/1099595032.db2.gz NCXOEKZNMSTBDK-SMDDNHRTSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236420522 1099595043 /nfs/dbraw/zinc/59/50/43/1099595043.db2.gz NCXOEKZNMSTBDK-SMDDNHRTSA-N 2 2 302.340 3.205 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001236421660 1099596763 /nfs/dbraw/zinc/59/67/63/1099596763.db2.gz RSCYMOWDCRSXPF-BBRMVZONSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001236421660 1099596773 /nfs/dbraw/zinc/59/67/73/1099596773.db2.gz RSCYMOWDCRSXPF-BBRMVZONSA-N 2 2 314.429 3.169 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@](F)(C[NH3+])C3)ccc21 ZINC001236434694 1099610684 /nfs/dbraw/zinc/61/06/84/1099610684.db2.gz OQYRBAXZBIAIRO-IBGZPJMESA-N 2 2 311.404 3.204 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@](F)(C[NH3+])C3)ccc21 ZINC001236434694 1099610690 /nfs/dbraw/zinc/61/06/90/1099610690.db2.gz OQYRBAXZBIAIRO-IBGZPJMESA-N 2 2 311.404 3.204 20 0 DGADLP c1ccc2c(c1)CC(C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001236435610 1099611014 /nfs/dbraw/zinc/61/10/14/1099611014.db2.gz DHMRPKKCKZCLAQ-OAQYLSRUSA-N 2 2 321.468 3.051 20 0 DGADLP c1ccc2c(c1)CC(C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)C2 ZINC001236435610 1099611017 /nfs/dbraw/zinc/61/10/17/1099611017.db2.gz DHMRPKKCKZCLAQ-OAQYLSRUSA-N 2 2 321.468 3.051 20 0 DGADLP COc1cccc(F)c1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458051 1099623210 /nfs/dbraw/zinc/62/32/10/1099623210.db2.gz PZBYVXYLBFRSRT-UHFFFAOYSA-N 2 2 308.441 3.434 20 0 DGADLP COc1cccc(F)c1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458051 1099623215 /nfs/dbraw/zinc/62/32/15/1099623215.db2.gz PZBYVXYLBFRSRT-UHFFFAOYSA-N 2 2 308.441 3.434 20 0 DGADLP COc1ccc2nccc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236468761 1099627830 /nfs/dbraw/zinc/62/78/30/1099627830.db2.gz QHVYHIMLINDSEZ-MRXNPFEDSA-N 2 2 313.445 3.206 20 0 DGADLP COc1ccc2nccc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236468761 1099627840 /nfs/dbraw/zinc/62/78/40/1099627840.db2.gz QHVYHIMLINDSEZ-MRXNPFEDSA-N 2 2 313.445 3.206 20 0 DGADLP COc1cccc2[nH]cc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)c21 ZINC001236468724 1099628405 /nfs/dbraw/zinc/62/84/05/1099628405.db2.gz PVGBSDWPSCFALO-OAHLLOKOSA-N 2 2 301.434 3.139 20 0 DGADLP COc1cccc2[nH]cc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)c21 ZINC001236468724 1099628411 /nfs/dbraw/zinc/62/84/11/1099628411.db2.gz PVGBSDWPSCFALO-OAHLLOKOSA-N 2 2 301.434 3.139 20 0 DGADLP CC(C)[N@H+](Cc1ccc(O)c(OCC2CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470238 1099629729 /nfs/dbraw/zinc/62/97/29/1099629729.db2.gz DBPYOPCZDGABON-QGZVFWFLSA-N 2 2 318.461 3.143 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(O)c(OCC2CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470238 1099629732 /nfs/dbraw/zinc/62/97/32/1099629732.db2.gz DBPYOPCZDGABON-QGZVFWFLSA-N 2 2 318.461 3.143 20 0 DGADLP COc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1SC ZINC001236471036 1099631947 /nfs/dbraw/zinc/63/19/47/1099631947.db2.gz ODTSPVPFTBRTQY-OAHLLOKOSA-N 2 2 308.491 3.380 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1SC ZINC001236471036 1099631948 /nfs/dbraw/zinc/63/19/48/1099631948.db2.gz ODTSPVPFTBRTQY-OAHLLOKOSA-N 2 2 308.491 3.380 20 0 DGADLP CCOc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236475732 1099633160 /nfs/dbraw/zinc/63/31/60/1099633160.db2.gz XWXQXGSOHDELOF-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP CCOc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236475732 1099633162 /nfs/dbraw/zinc/63/31/62/1099633162.db2.gz XWXQXGSOHDELOF-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c2c[nH]nc21 ZINC001236503545 1099649564 /nfs/dbraw/zinc/64/95/64/1099649564.db2.gz SBURMPSSFHXDCK-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c2c[nH]nc21 ZINC001236503545 1099649569 /nfs/dbraw/zinc/64/95/69/1099649569.db2.gz SBURMPSSFHXDCK-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(F)ccc1C[N@H+](Cc1ccco1)C1CC[NH2+]CC1 ZINC001236515949 1099654802 /nfs/dbraw/zinc/65/48/02/1099654802.db2.gz DNYSRYXCAYBYIZ-UHFFFAOYSA-N 2 2 302.393 3.481 20 0 DGADLP Cc1cc(F)ccc1C[N@@H+](Cc1ccco1)C1CC[NH2+]CC1 ZINC001236515949 1099654807 /nfs/dbraw/zinc/65/48/07/1099654807.db2.gz DNYSRYXCAYBYIZ-UHFFFAOYSA-N 2 2 302.393 3.481 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236606862 1099700409 /nfs/dbraw/zinc/70/04/09/1099700409.db2.gz WZGHUFMBBKKBMR-AEFFLSMTSA-N 2 2 320.502 3.317 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)c1 ZINC001236606862 1099700414 /nfs/dbraw/zinc/70/04/14/1099700414.db2.gz WZGHUFMBBKKBMR-AEFFLSMTSA-N 2 2 320.502 3.317 20 0 DGADLP COc1c(C)ccc(F)c1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236649460 1099721858 /nfs/dbraw/zinc/72/18/58/1099721858.db2.gz YDDJNFMIDGLYRD-UHFFFAOYSA-N 2 2 306.425 3.249 20 0 DGADLP COc1c(C)ccc(F)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236649460 1099721871 /nfs/dbraw/zinc/72/18/71/1099721871.db2.gz YDDJNFMIDGLYRD-UHFFFAOYSA-N 2 2 306.425 3.249 20 0 DGADLP COc1ccc2sc(C[NH+]3CCC([NH+](C)C)CC3)cc2c1 ZINC001236652664 1099723240 /nfs/dbraw/zinc/72/32/40/1099723240.db2.gz ANCVFJGUJOWDCJ-UHFFFAOYSA-N 2 2 304.459 3.436 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001236679675 1099739051 /nfs/dbraw/zinc/73/90/51/1099739051.db2.gz LSDZQSOKZUIIDL-UHFFFAOYSA-N 2 2 307.397 3.103 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001236679675 1099739059 /nfs/dbraw/zinc/73/90/59/1099739059.db2.gz LSDZQSOKZUIIDL-UHFFFAOYSA-N 2 2 307.397 3.103 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)F)cc1F)C1CC[NH+](C)CC1 ZINC001236721193 1099757033 /nfs/dbraw/zinc/75/70/33/1099757033.db2.gz XAPLVLXLYRTLLF-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)F)cc1F)C1CC[NH+](C)CC1 ZINC001236721193 1099757040 /nfs/dbraw/zinc/75/70/40/1099757040.db2.gz XAPLVLXLYRTLLF-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc4occc43)CC2)c1 ZINC001236746072 1099769436 /nfs/dbraw/zinc/76/94/36/1099769436.db2.gz NJUZJTHNRFDNLO-UHFFFAOYSA-N 2 2 323.396 3.159 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001236828345 1099808777 /nfs/dbraw/zinc/80/87/77/1099808777.db2.gz GJTSBALHXJAQII-UHFFFAOYSA-N 2 2 317.296 3.345 20 0 DGADLP Cc1cc(Br)sc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001236828345 1099808785 /nfs/dbraw/zinc/80/87/85/1099808785.db2.gz GJTSBALHXJAQII-UHFFFAOYSA-N 2 2 317.296 3.345 20 0 DGADLP CCC[N@@H+](Cc1ccccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236836246 1099823770 /nfs/dbraw/zinc/82/37/70/1099823770.db2.gz TYSXCPJKXDDAJW-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP CCC[N@H+](Cc1ccccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236836246 1099823782 /nfs/dbraw/zinc/82/37/82/1099823782.db2.gz TYSXCPJKXDDAJW-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC001236868727 1099842754 /nfs/dbraw/zinc/84/27/54/1099842754.db2.gz HGDSKLSTKZYNDP-LBPRGKRZSA-N 2 2 322.250 3.166 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC001236868727 1099842764 /nfs/dbraw/zinc/84/27/64/1099842764.db2.gz HGDSKLSTKZYNDP-LBPRGKRZSA-N 2 2 322.250 3.166 20 0 DGADLP C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902882 1099864527 /nfs/dbraw/zinc/86/45/27/1099864527.db2.gz JPSSRXXTZLBQJG-UKRRQHHQSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902882 1099864536 /nfs/dbraw/zinc/86/45/36/1099864536.db2.gz JPSSRXXTZLBQJG-UKRRQHHQSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H]1CO ZINC001236902464 1099864943 /nfs/dbraw/zinc/86/49/43/1099864943.db2.gz FEZJKDXCVIRKTA-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H]1CO ZINC001236902464 1099864953 /nfs/dbraw/zinc/86/49/53/1099864953.db2.gz FEZJKDXCVIRKTA-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP CO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236904781 1099865413 /nfs/dbraw/zinc/86/54/13/1099865413.db2.gz VSJCCBMQOHRFHS-AWEZNQCLSA-N 2 2 305.809 3.137 20 0 DGADLP CO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236904781 1099865421 /nfs/dbraw/zinc/86/54/21/1099865421.db2.gz VSJCCBMQOHRFHS-AWEZNQCLSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1CO ZINC001236902473 1099866082 /nfs/dbraw/zinc/86/60/82/1099866082.db2.gz FEZJKDXCVIRKTA-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1CO ZINC001236902473 1099866091 /nfs/dbraw/zinc/86/60/91/1099866091.db2.gz FEZJKDXCVIRKTA-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912341 1099870989 /nfs/dbraw/zinc/87/09/89/1099870989.db2.gz PUBNVDJLYTWGIG-RHSMWYFYSA-N 2 2 317.820 3.137 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912341 1099870997 /nfs/dbraw/zinc/87/09/97/1099870997.db2.gz PUBNVDJLYTWGIG-RHSMWYFYSA-N 2 2 317.820 3.137 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912351 1099874128 /nfs/dbraw/zinc/87/41/28/1099874128.db2.gz PUBNVDJLYTWGIG-YOEHRIQHSA-N 2 2 317.820 3.137 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912351 1099874137 /nfs/dbraw/zinc/87/41/37/1099874137.db2.gz PUBNVDJLYTWGIG-YOEHRIQHSA-N 2 2 317.820 3.137 20 0 DGADLP C[C@@]1(O)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236912672 1099874290 /nfs/dbraw/zinc/87/42/90/1099874290.db2.gz DKEUBRVAZBWMIO-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236912672 1099874295 /nfs/dbraw/zinc/87/42/95/1099874295.db2.gz DKEUBRVAZBWMIO-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001236918102 1099877932 /nfs/dbraw/zinc/87/79/32/1099877932.db2.gz XJZKJPFABUAOAK-PBHICJAKSA-N 2 2 317.820 3.137 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CCCCOCc1ccccc1 ZINC001237019691 1099930127 /nfs/dbraw/zinc/93/01/27/1099930127.db2.gz JXRIKHUUWCIGPS-NRFANRHFSA-N 2 2 324.468 3.369 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CCCCOCc1ccccc1 ZINC001237019691 1099930136 /nfs/dbraw/zinc/93/01/36/1099930136.db2.gz JXRIKHUUWCIGPS-NRFANRHFSA-N 2 2 324.468 3.369 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001237060150 1099953471 /nfs/dbraw/zinc/95/34/71/1099953471.db2.gz XWQYQKRUAXAOOI-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001237060150 1099953477 /nfs/dbraw/zinc/95/34/77/1099953477.db2.gz XWQYQKRUAXAOOI-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1Br ZINC001237060263 1099953563 /nfs/dbraw/zinc/95/35/63/1099953563.db2.gz ZCWDZTKJEHRDRV-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1Br ZINC001237060263 1099953571 /nfs/dbraw/zinc/95/35/71/1099953571.db2.gz ZCWDZTKJEHRDRV-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141618 1099992257 /nfs/dbraw/zinc/99/22/57/1099992257.db2.gz IZSXWTHWUQYDTC-OXQOHEQNSA-N 2 2 310.441 3.008 20 0 DGADLP C[C@H](C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141618 1099992271 /nfs/dbraw/zinc/99/22/71/1099992271.db2.gz IZSXWTHWUQYDTC-OXQOHEQNSA-N 2 2 310.441 3.008 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(c3ccc(F)cc3F)CC2)CO1 ZINC001237203154 1100030847 /nfs/dbraw/zinc/03/08/47/1100030847.db2.gz BCZHJXVQUJZAFE-HNNXBMFYSA-N 2 2 324.415 3.259 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC001237205008 1100032156 /nfs/dbraw/zinc/03/21/56/1100032156.db2.gz RNLZWIQGAXMYQC-DYVFJYSZSA-N 2 2 314.404 3.423 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC001237205008 1100032164 /nfs/dbraw/zinc/03/21/64/1100032164.db2.gz RNLZWIQGAXMYQC-DYVFJYSZSA-N 2 2 314.404 3.423 20 0 DGADLP Oc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237275097 1100055307 /nfs/dbraw/zinc/05/53/07/1100055307.db2.gz KFJOVVSPEFSVFR-UHFFFAOYSA-N 2 2 308.425 3.029 20 0 DGADLP COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1C(F)F ZINC001237283665 1100059077 /nfs/dbraw/zinc/05/90/77/1100059077.db2.gz USBUWCMESGXOEI-CXAGYDPISA-N 2 2 310.388 3.016 20 0 DGADLP COc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1C(F)F ZINC001237283665 1100059081 /nfs/dbraw/zinc/05/90/81/1100059081.db2.gz USBUWCMESGXOEI-CXAGYDPISA-N 2 2 310.388 3.016 20 0 DGADLP Cc1cc(O)cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237288882 1100063231 /nfs/dbraw/zinc/06/32/31/1100063231.db2.gz KBASPJXQWRPWJZ-UHFFFAOYSA-N 2 2 322.452 3.338 20 0 DGADLP Cc1cnc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c(C)c1 ZINC001237300488 1100069510 /nfs/dbraw/zinc/06/95/10/1100069510.db2.gz MOSBYBGQPRTMNU-UHFFFAOYSA-N 2 2 321.468 3.335 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237412658 1100117534 /nfs/dbraw/zinc/11/75/34/1100117534.db2.gz HEDKATRTGYMFSN-GDBMZVCRSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237412658 1100117535 /nfs/dbraw/zinc/11/75/35/1100117535.db2.gz HEDKATRTGYMFSN-GDBMZVCRSA-N 2 2 323.278 3.331 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(F)F ZINC001237415696 1100119603 /nfs/dbraw/zinc/11/96/03/1100119603.db2.gz QTJBJHOEPGWGQI-OCCSQVGLSA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(F)F ZINC001237415696 1100119607 /nfs/dbraw/zinc/11/96/07/1100119607.db2.gz QTJBJHOEPGWGQI-OCCSQVGLSA-N 2 2 314.351 3.001 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccn3nccc3c2)C2CCCC2)CC1 ZINC001237546564 1100167391 /nfs/dbraw/zinc/16/73/91/1100167391.db2.gz NFZVZNZDGRDOAJ-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccn3nccc3c2)C2CCCC2)CC1 ZINC001237546564 1100167395 /nfs/dbraw/zinc/16/73/95/1100167395.db2.gz NFZVZNZDGRDOAJ-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP CCc1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001237828281 1100260033 /nfs/dbraw/zinc/26/00/33/1100260033.db2.gz FDZDXFZAKVRHON-ZDUSSCGKSA-N 2 2 303.431 3.062 20 0 DGADLP CCc1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001237828281 1100260041 /nfs/dbraw/zinc/26/00/41/1100260041.db2.gz FDZDXFZAKVRHON-ZDUSSCGKSA-N 2 2 303.431 3.062 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC(=O)C(C)(C)C3)cc21 ZINC001237884313 1100283190 /nfs/dbraw/zinc/28/31/90/1100283190.db2.gz ARAGXUQMLAVXJK-UHFFFAOYSA-N 2 2 312.457 3.489 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC(=O)C(C)(C)C3)cc21 ZINC001237884313 1100283193 /nfs/dbraw/zinc/28/31/93/1100283193.db2.gz ARAGXUQMLAVXJK-UHFFFAOYSA-N 2 2 312.457 3.489 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1C1CCOCC1 ZINC001237913513 1100290770 /nfs/dbraw/zinc/29/07/70/1100290770.db2.gz MNXWQJAHSCBXGP-UHFFFAOYSA-N 2 2 313.445 3.299 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1C1CCOCC1 ZINC001237913513 1100290773 /nfs/dbraw/zinc/29/07/73/1100290773.db2.gz MNXWQJAHSCBXGP-UHFFFAOYSA-N 2 2 313.445 3.299 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccsc2C)CC1 ZINC001237970581 1100308317 /nfs/dbraw/zinc/30/83/17/1100308317.db2.gz HNCCFGHUSXEQSU-KRWDZBQOSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccsc2C)CC1 ZINC001237970581 1100308323 /nfs/dbraw/zinc/30/83/23/1100308323.db2.gz HNCCFGHUSXEQSU-KRWDZBQOSA-N 2 2 308.491 3.132 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC001190873727 1100355787 /nfs/dbraw/zinc/35/57/87/1100355787.db2.gz YACAADATTFXADL-JKSUJKDBSA-N 2 2 303.450 3.039 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cccc1Br ZINC001278186937 1100358418 /nfs/dbraw/zinc/35/84/18/1100358418.db2.gz QYLLVZBNMPXWES-AGUYFDCRSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cccc1Br ZINC001278186937 1100358427 /nfs/dbraw/zinc/35/84/27/1100358427.db2.gz QYLLVZBNMPXWES-AGUYFDCRSA-N 2 2 323.278 3.472 20 0 DGADLP C[N@H+](Cc1cccc2c[nH+]cn21)Cc1ncccc1C(F)(F)F ZINC001238108999 1100364765 /nfs/dbraw/zinc/36/47/65/1100364765.db2.gz XMGXGRSFLMRFBE-UHFFFAOYSA-N 2 2 320.318 3.380 20 0 DGADLP C[N@@H+](Cc1cccc2c[nH+]cn21)Cc1ncccc1C(F)(F)F ZINC001238108999 1100364778 /nfs/dbraw/zinc/36/47/78/1100364778.db2.gz XMGXGRSFLMRFBE-UHFFFAOYSA-N 2 2 320.318 3.380 20 0 DGADLP Cc1ncncc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001238171573 1100378491 /nfs/dbraw/zinc/37/84/91/1100378491.db2.gz AXLIWOMZHFXGSV-UHFFFAOYSA-N 2 2 302.466 3.014 20 0 DGADLP Cc1ncncc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001238171573 1100378500 /nfs/dbraw/zinc/37/85/00/1100378500.db2.gz AXLIWOMZHFXGSV-UHFFFAOYSA-N 2 2 302.466 3.014 20 0 DGADLP FCCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205418 1100400732 /nfs/dbraw/zinc/40/07/32/1100400732.db2.gz LHVWUUYPVHOLQJ-SFHVURJKSA-N 2 2 307.457 3.442 20 0 DGADLP FCCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205418 1100400734 /nfs/dbraw/zinc/40/07/34/1100400734.db2.gz LHVWUUYPVHOLQJ-SFHVURJKSA-N 2 2 307.457 3.442 20 0 DGADLP FCCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205418 1100400736 /nfs/dbraw/zinc/40/07/36/1100400736.db2.gz LHVWUUYPVHOLQJ-SFHVURJKSA-N 2 2 307.457 3.442 20 0 DGADLP FCCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205418 1100400737 /nfs/dbraw/zinc/40/07/37/1100400737.db2.gz LHVWUUYPVHOLQJ-SFHVURJKSA-N 2 2 307.457 3.442 20 0 DGADLP CCCCOc1ncc(C[N@H+](C)CCC[NH+]2CCCC2)cc1C ZINC001238488700 1100456238 /nfs/dbraw/zinc/45/62/38/1100456238.db2.gz KFNUFEKMXKWWGO-UHFFFAOYSA-N 2 2 319.493 3.487 20 0 DGADLP CCCCOc1ncc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC001238488700 1100456240 /nfs/dbraw/zinc/45/62/40/1100456240.db2.gz KFNUFEKMXKWWGO-UHFFFAOYSA-N 2 2 319.493 3.487 20 0 DGADLP CCCCOc1ncc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1C ZINC001238490002 1100457838 /nfs/dbraw/zinc/45/78/38/1100457838.db2.gz WFTLUENNHCUIHI-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP CCCCOc1ncc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1C ZINC001238490002 1100457839 /nfs/dbraw/zinc/45/78/39/1100457839.db2.gz WFTLUENNHCUIHI-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@H]2C1 ZINC001238515687 1100463321 /nfs/dbraw/zinc/46/33/21/1100463321.db2.gz KQEYDSNCVGMFJQ-IAGOWNOFSA-N 2 2 302.437 3.477 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001238701376 1100505759 /nfs/dbraw/zinc/50/57/59/1100505759.db2.gz GHEGBRWUQXZABC-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001238701376 1100505767 /nfs/dbraw/zinc/50/57/67/1100505767.db2.gz GHEGBRWUQXZABC-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238713016 1100510334 /nfs/dbraw/zinc/51/03/34/1100510334.db2.gz HFNQKJRJNDVDIF-UHFFFAOYSA-N 2 2 316.424 3.145 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238713016 1100510341 /nfs/dbraw/zinc/51/03/41/1100510341.db2.gz HFNQKJRJNDVDIF-UHFFFAOYSA-N 2 2 316.424 3.145 20 0 DGADLP Cc1ccc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001203749463 1100562775 /nfs/dbraw/zinc/56/27/75/1100562775.db2.gz IIZWTZXPHMXYTO-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP CC[C@@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC001193209417 1100717606 /nfs/dbraw/zinc/71/76/06/1100717606.db2.gz GTXDVWBBMPHRNH-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP CC[C@@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC001193209417 1100717610 /nfs/dbraw/zinc/71/76/10/1100717610.db2.gz GTXDVWBBMPHRNH-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP CC(=O)Nc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000079000523 1100755318 /nfs/dbraw/zinc/75/53/18/1100755318.db2.gz HVVCQWTYMQDNFF-KRWDZBQOSA-N 2 2 314.433 3.046 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4cnccc43)c2)C1 ZINC001240010642 1100831327 /nfs/dbraw/zinc/83/13/27/1100831327.db2.gz SDYZOBZTTMUAHP-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4cnccc43)c2)C1 ZINC001240010642 1100831335 /nfs/dbraw/zinc/83/13/35/1100831335.db2.gz SDYZOBZTTMUAHP-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP FC(F)(F)c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cn1 ZINC001240267834 1100916123 /nfs/dbraw/zinc/91/61/23/1100916123.db2.gz NVXICTGQINUIHI-UHFFFAOYSA-N 2 2 318.302 3.102 20 0 DGADLP Cc1cc(-c2cccc(CC[NH+]3CCOCC3)c2)cn2cc[nH+]c12 ZINC001240270427 1100917631 /nfs/dbraw/zinc/91/76/31/1100917631.db2.gz HNWRPULDYFSWHC-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc(F)c1F ZINC001240663179 1101086662 /nfs/dbraw/zinc/08/66/62/1101086662.db2.gz HXPFXHIVFSCMOW-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc(F)c1F ZINC001240663179 1101086669 /nfs/dbraw/zinc/08/66/69/1101086669.db2.gz HXPFXHIVFSCMOW-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4ncccc43)cc2)C1 ZINC001240938893 1101188263 /nfs/dbraw/zinc/18/82/63/1101188263.db2.gz HJZQECOZPBKRBI-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4ncccc43)cc2)C1 ZINC001240938893 1101188266 /nfs/dbraw/zinc/18/82/66/1101188266.db2.gz HJZQECOZPBKRBI-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP COc1cccc(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241014748 1101220997 /nfs/dbraw/zinc/22/09/97/1101220997.db2.gz IOSNDMSBHUHONO-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cccc(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241014748 1101221004 /nfs/dbraw/zinc/22/10/04/1101221004.db2.gz IOSNDMSBHUHONO-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241030219 1101227050 /nfs/dbraw/zinc/22/70/50/1101227050.db2.gz KLDHBIGZTNUYSQ-QGZVFWFLSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241030219 1101227055 /nfs/dbraw/zinc/22/70/55/1101227055.db2.gz KLDHBIGZTNUYSQ-QGZVFWFLSA-N 2 2 300.377 3.034 20 0 DGADLP CCOc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001241086651 1101247908 /nfs/dbraw/zinc/24/79/08/1101247908.db2.gz GCUQWWGMLOAYBQ-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001241086651 1101247914 /nfs/dbraw/zinc/24/79/14/1101247914.db2.gz GCUQWWGMLOAYBQ-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205761062 1101256457 /nfs/dbraw/zinc/25/64/57/1101256457.db2.gz FXCGWFPSLKSPEQ-OAHLLOKOSA-N 2 2 312.404 3.281 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205761062 1101256462 /nfs/dbraw/zinc/25/64/62/1101256462.db2.gz FXCGWFPSLKSPEQ-OAHLLOKOSA-N 2 2 312.404 3.281 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3Cl)CCC1(F)F ZINC001205772173 1101287252 /nfs/dbraw/zinc/28/72/52/1101287252.db2.gz YWVFIVVBXCFHSS-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3Cl)CCC1(F)F ZINC001205772173 1101287260 /nfs/dbraw/zinc/28/72/60/1101287260.db2.gz YWVFIVVBXCFHSS-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001241250504 1101321159 /nfs/dbraw/zinc/32/11/59/1101321159.db2.gz MIWWAHYLSMRDNM-UHFFFAOYSA-N 3 2 324.472 3.046 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4ncccc4c3)cc2)C1 ZINC001241400198 1101433959 /nfs/dbraw/zinc/43/39/59/1101433959.db2.gz IDILTXAPBUUJJA-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4ncccc4c3)cc2)C1 ZINC001241400198 1101433965 /nfs/dbraw/zinc/43/39/65/1101433965.db2.gz IDILTXAPBUUJJA-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241476083 1101493104 /nfs/dbraw/zinc/49/31/04/1101493104.db2.gz BZXLATXZFLEHKX-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241476083 1101493107 /nfs/dbraw/zinc/49/31/07/1101493107.db2.gz BZXLATXZFLEHKX-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241522879 1101533180 /nfs/dbraw/zinc/53/31/80/1101533180.db2.gz BWAISRSLRODHSU-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241522879 1101533189 /nfs/dbraw/zinc/53/31/89/1101533189.db2.gz BWAISRSLRODHSU-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241524114 1101534026 /nfs/dbraw/zinc/53/40/26/1101534026.db2.gz SRZVARUSTUVNPS-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241524114 1101534034 /nfs/dbraw/zinc/53/40/34/1101534034.db2.gz SRZVARUSTUVNPS-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP CC(C)Oc1cncc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001278332546 1101574118 /nfs/dbraw/zinc/57/41/18/1101574118.db2.gz QEQXUOYDLDQKPO-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cncc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001278332546 1101574128 /nfs/dbraw/zinc/57/41/28/1101574128.db2.gz QEQXUOYDLDQKPO-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cncc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001278332546 1101574141 /nfs/dbraw/zinc/57/41/41/1101574141.db2.gz QEQXUOYDLDQKPO-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cncc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001278332546 1101574152 /nfs/dbraw/zinc/57/41/52/1101574152.db2.gz QEQXUOYDLDQKPO-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807107 1101586342 /nfs/dbraw/zinc/58/63/42/1101586342.db2.gz XUNUNPYAMLFZQA-WCQYABFASA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807107 1101586347 /nfs/dbraw/zinc/58/63/47/1101586347.db2.gz XUNUNPYAMLFZQA-WCQYABFASA-N 2 2 302.340 3.144 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cnn(-c4ccccc4)c3)cc2)C1 ZINC001241757242 1101688341 /nfs/dbraw/zinc/68/83/41/1101688341.db2.gz IQGFMLWAKMMDKY-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cnn(-c4ccccc4)c3)cc2)C1 ZINC001241757242 1101688348 /nfs/dbraw/zinc/68/83/48/1101688348.db2.gz IQGFMLWAKMMDKY-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001197929172 1101703235 /nfs/dbraw/zinc/70/32/35/1101703235.db2.gz DSRBFBANLAUPPC-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc(O)ccc1Cl ZINC001197929172 1101703249 /nfs/dbraw/zinc/70/32/49/1101703249.db2.gz DSRBFBANLAUPPC-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(-c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001241815454 1101719358 /nfs/dbraw/zinc/71/93/58/1101719358.db2.gz LGHHXOLLWQQSMQ-UHFFFAOYSA-N 2 2 323.440 3.181 20 0 DGADLP COc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1Cl ZINC001241857254 1101752211 /nfs/dbraw/zinc/75/22/11/1101752211.db2.gz GSFXNMYNFHMXJL-UHFFFAOYSA-N 2 2 313.788 3.350 20 0 DGADLP Cc1cc(-c2ccc3c(c2)COC2(CC[NH2+]CC2)O3)cc(C)[nH+]1 ZINC001241991976 1101840744 /nfs/dbraw/zinc/84/07/44/1101840744.db2.gz AFPNWXMOCRXMDB-UHFFFAOYSA-N 2 2 310.397 3.354 20 0 DGADLP Cc1cc(-c2cccc3cc([C@H]4C[NH2+]CCO4)cn32)cc(C)[nH+]1 ZINC001241994483 1101842700 /nfs/dbraw/zinc/84/27/00/1101842700.db2.gz UXWJYGDOKRMULV-LJQANCHMSA-N 2 2 307.397 3.279 20 0 DGADLP COc1cccc2[nH]c(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc21 ZINC001241998640 1101847531 /nfs/dbraw/zinc/84/75/31/1101847531.db2.gz CQJGXSCVLZCUJZ-INIZCTEOSA-N 2 2 321.424 3.377 20 0 DGADLP COc1cccc2[nH]c(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc21 ZINC001241998640 1101847545 /nfs/dbraw/zinc/84/75/45/1101847545.db2.gz CQJGXSCVLZCUJZ-INIZCTEOSA-N 2 2 321.424 3.377 20 0 DGADLP Cc1cc(N)[nH+]cc1-c1ccc(-c2nc3c(o2)CC[N@@H+](C)C3)cc1 ZINC001242096177 1101907834 /nfs/dbraw/zinc/90/78/34/1101907834.db2.gz BSDBTRZRDDWYBJ-UHFFFAOYSA-N 2 2 320.396 3.282 20 0 DGADLP Cc1cc(N)[nH+]cc1-c1ccc(-c2nc3c(o2)CC[N@H+](C)C3)cc1 ZINC001242096177 1101907840 /nfs/dbraw/zinc/90/78/40/1101907840.db2.gz BSDBTRZRDDWYBJ-UHFFFAOYSA-N 2 2 320.396 3.282 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCC4=O)cc2)C1 ZINC001242158096 1101948689 /nfs/dbraw/zinc/94/86/89/1101948689.db2.gz XWAXMHOSQQTLFZ-GOSISDBHSA-N 2 2 306.409 3.016 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCC4=O)cc2)C1 ZINC001242158096 1101948693 /nfs/dbraw/zinc/94/86/93/1101948693.db2.gz XWAXMHOSQQTLFZ-GOSISDBHSA-N 2 2 306.409 3.016 20 0 DGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001198751741 1101977551 /nfs/dbraw/zinc/97/75/51/1101977551.db2.gz FRLOFDFLHSDLMK-ZDUSSCGKSA-N 2 2 318.490 3.066 20 0 DGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001198751741 1101977560 /nfs/dbraw/zinc/97/75/60/1101977560.db2.gz FRLOFDFLHSDLMK-ZDUSSCGKSA-N 2 2 318.490 3.066 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3cnccc3c2)C1 ZINC001242247073 1102006414 /nfs/dbraw/zinc/00/64/14/1102006414.db2.gz QILXCWSTAZTAMC-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cnccc3c2)C1 ZINC001242247073 1102006426 /nfs/dbraw/zinc/00/64/26/1102006426.db2.gz QILXCWSTAZTAMC-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC001198890538 1102025281 /nfs/dbraw/zinc/02/52/81/1102025281.db2.gz FZEPXNSJXXAPCM-UHFFFAOYSA-N 2 2 323.510 3.009 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC001198943329 1102028302 /nfs/dbraw/zinc/02/83/02/1102028302.db2.gz XAIVUCVQAUCQED-UHFFFAOYSA-N 2 2 304.482 3.042 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242307257 1102042860 /nfs/dbraw/zinc/04/28/60/1102042860.db2.gz HRJHTVLDZWJVLE-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242307257 1102042876 /nfs/dbraw/zinc/04/28/76/1102042876.db2.gz HRJHTVLDZWJVLE-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP CC(C)(O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001242625566 1102248466 /nfs/dbraw/zinc/24/84/66/1102248466.db2.gz ILFHLMYEQSKXCX-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001242625566 1102248474 /nfs/dbraw/zinc/24/84/74/1102248474.db2.gz ILFHLMYEQSKXCX-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP CCOC(=[NH2+])c1cccc(-c2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC001242729731 1102312889 /nfs/dbraw/zinc/31/28/89/1102312889.db2.gz PHNBIYMWNGAATA-UHFFFAOYSA-N 2 2 312.417 3.179 20 0 DGADLP COc1c(F)cc(F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242810067 1102358377 /nfs/dbraw/zinc/35/83/77/1102358377.db2.gz CTUAKURUQWVSOZ-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242810067 1102358390 /nfs/dbraw/zinc/35/83/90/1102358390.db2.gz CTUAKURUQWVSOZ-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001200872565 1102429253 /nfs/dbraw/zinc/42/92/53/1102429253.db2.gz ROFRJWYPIRLQSA-SFHVURJKSA-N 2 2 306.519 3.412 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccsc1Br ZINC001205912755 1102497456 /nfs/dbraw/zinc/49/74/56/1102497456.db2.gz CANXUOHMNWBVTC-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccsc1Br ZINC001205912755 1102497458 /nfs/dbraw/zinc/49/74/58/1102497458.db2.gz CANXUOHMNWBVTC-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP CC(C)Oc1cccc(F)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243263006 1102620386 /nfs/dbraw/zinc/62/03/86/1102620386.db2.gz OOZMWRYGDAQPNE-UHFFFAOYSA-N 2 2 315.392 3.085 20 0 DGADLP CCCCC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201711714 1102697622 /nfs/dbraw/zinc/69/76/22/1102697622.db2.gz HVPIEYYJCFOXJE-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP CSc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(C)n1 ZINC001243593767 1102836721 /nfs/dbraw/zinc/83/67/21/1102836721.db2.gz LRLNNHLHYRGPNH-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(C)n1 ZINC001243593767 1102836729 /nfs/dbraw/zinc/83/67/29/1102836729.db2.gz LRLNNHLHYRGPNH-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167190 1102866507 /nfs/dbraw/zinc/86/65/07/1102866507.db2.gz KEMCLBFTVUNTLF-HZPDHXFCSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167190 1102866518 /nfs/dbraw/zinc/86/65/18/1102866518.db2.gz KEMCLBFTVUNTLF-HZPDHXFCSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167190 1102866525 /nfs/dbraw/zinc/86/65/25/1102866525.db2.gz KEMCLBFTVUNTLF-HZPDHXFCSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCCC4)CC[C@H]32)n1 ZINC001202167190 1102866543 /nfs/dbraw/zinc/86/65/43/1102866543.db2.gz KEMCLBFTVUNTLF-HZPDHXFCSA-N 2 2 305.491 3.230 20 0 DGADLP C[NH+](C)CCOc1cccc(-c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001243747271 1102955639 /nfs/dbraw/zinc/95/56/39/1102955639.db2.gz HQMXJOAADUPLNP-UHFFFAOYSA-N 2 2 307.397 3.480 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258017978 1103116159 /nfs/dbraw/zinc/11/61/59/1103116159.db2.gz JCDWWRYBPZBSER-UHFFFAOYSA-N 3 2 309.542 3.303 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258017978 1103116165 /nfs/dbraw/zinc/11/61/65/1103116165.db2.gz JCDWWRYBPZBSER-UHFFFAOYSA-N 3 2 309.542 3.303 20 0 DGADLP COc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)c1C ZINC001243997465 1103118792 /nfs/dbraw/zinc/11/87/92/1103118792.db2.gz FIQWSNOQGSUEMZ-UHFFFAOYSA-N 2 2 307.397 3.314 20 0 DGADLP CCOC(=O)c1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244025206 1103147601 /nfs/dbraw/zinc/14/76/01/1103147601.db2.gz FNKAMHUVZFEQLZ-QGZVFWFLSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244025206 1103147605 /nfs/dbraw/zinc/14/76/05/1103147605.db2.gz FNKAMHUVZFEQLZ-QGZVFWFLSA-N 2 2 324.424 3.063 20 0 DGADLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)no1 ZINC001276310449 1103461002 /nfs/dbraw/zinc/46/10/02/1103461002.db2.gz CYGWCKJNXBTXTM-MSOLQXFVSA-N 2 2 314.433 3.036 20 0 DGADLP c1cnc(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001276335427 1103504594 /nfs/dbraw/zinc/50/45/94/1103504594.db2.gz SOECMMVCKBKXDA-UHFFFAOYSA-N 2 2 314.477 3.097 20 0 DGADLP c1cnc(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001276335427 1103504604 /nfs/dbraw/zinc/50/46/04/1103504604.db2.gz SOECMMVCKBKXDA-UHFFFAOYSA-N 2 2 314.477 3.097 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1Br ZINC001276349798 1103523063 /nfs/dbraw/zinc/52/30/63/1103523063.db2.gz XPJOMLNOSINRIG-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1Br ZINC001276349798 1103523068 /nfs/dbraw/zinc/52/30/68/1103523068.db2.gz XPJOMLNOSINRIG-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538315 1103677579 /nfs/dbraw/zinc/67/75/79/1103677579.db2.gz QASFPGPBLRNYOU-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538315 1103677582 /nfs/dbraw/zinc/67/75/82/1103677582.db2.gz QASFPGPBLRNYOU-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538315 1103677589 /nfs/dbraw/zinc/67/75/89/1103677589.db2.gz QASFPGPBLRNYOU-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538315 1103677595 /nfs/dbraw/zinc/67/75/95/1103677595.db2.gz QASFPGPBLRNYOU-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1cccs1 ZINC001327787406 1103725539 /nfs/dbraw/zinc/72/55/39/1103725539.db2.gz MKGDCOFNMMACAW-PLNGDYQASA-N 2 2 310.382 3.289 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001327839624 1103739782 /nfs/dbraw/zinc/73/97/82/1103739782.db2.gz JIVGFYDBHDOJPH-RDTXWAMCSA-N 2 2 301.409 3.206 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cc(Cl)cc(CO)c2)C1 ZINC001245093926 1103858448 /nfs/dbraw/zinc/85/84/48/1103858448.db2.gz NIHPPJHQHVUQKQ-KRWDZBQOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cc(Cl)cc(CO)c2)C1 ZINC001245093926 1103858459 /nfs/dbraw/zinc/85/84/59/1103858459.db2.gz NIHPPJHQHVUQKQ-KRWDZBQOSA-N 2 2 316.832 3.032 20 0 DGADLP Nc1c(Cl)cccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245181484 1103895356 /nfs/dbraw/zinc/89/53/56/1103895356.db2.gz QGQPRMDICZRCNJ-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1c(Cl)cccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245181484 1103895369 /nfs/dbraw/zinc/89/53/69/1103895369.db2.gz QGQPRMDICZRCNJ-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP CCn1ncc2cc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)ccc21 ZINC001245237512 1103927691 /nfs/dbraw/zinc/92/76/91/1103927691.db2.gz UIVXYQNFKYMMLN-LJQANCHMSA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)ccc21 ZINC001245237512 1103927695 /nfs/dbraw/zinc/92/76/95/1103927695.db2.gz UIVXYQNFKYMMLN-LJQANCHMSA-N 2 2 320.440 3.256 20 0 DGADLP c1cnc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)ccc2n1 ZINC001137084290 1103967615 /nfs/dbraw/zinc/96/76/15/1103967615.db2.gz GEBCFYTXNCNTMY-UHFFFAOYSA-N 2 2 320.396 3.068 20 0 DGADLP Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c[nH+]c1N1CCOCC1 ZINC001245351623 1103998887 /nfs/dbraw/zinc/99/88/87/1103998887.db2.gz UYNIZUJONMVHNL-LJQANCHMSA-N 2 2 323.440 3.318 20 0 DGADLP Cc1csc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001137154364 1104018908 /nfs/dbraw/zinc/01/89/08/1104018908.db2.gz FNZBMOJPRDTAJE-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1csc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001137154364 1104018918 /nfs/dbraw/zinc/01/89/18/1104018918.db2.gz FNZBMOJPRDTAJE-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1csc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001137154364 1104018931 /nfs/dbraw/zinc/01/89/31/1104018931.db2.gz FNZBMOJPRDTAJE-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1csc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001137154364 1104018942 /nfs/dbraw/zinc/01/89/42/1104018942.db2.gz FNZBMOJPRDTAJE-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1cc2c[nH+]c(-c3ccc(COC4CC[NH2+]CC4)cc3)nc2[nH]1 ZINC001245402910 1104029933 /nfs/dbraw/zinc/02/99/33/1104029933.db2.gz RUQXNYACLVIVNV-UHFFFAOYSA-N 2 2 322.412 3.154 20 0 DGADLP c1cn2cccc(-c3ccc(COC4CC[NH2+]CC4)cc3)c2[nH+]1 ZINC001245410426 1104034765 /nfs/dbraw/zinc/03/47/65/1104034765.db2.gz NFUUCUYZCNJUQE-UHFFFAOYSA-N 2 2 307.397 3.270 20 0 DGADLP Nc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1Cl ZINC001245468138 1104074767 /nfs/dbraw/zinc/07/47/67/1104074767.db2.gz HSLSAQGHKOEACQ-CQSZACIVSA-N 2 2 319.811 3.261 20 0 DGADLP Nc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1Cl ZINC001245468138 1104074780 /nfs/dbraw/zinc/07/47/80/1104074780.db2.gz HSLSAQGHKOEACQ-CQSZACIVSA-N 2 2 319.811 3.261 20 0 DGADLP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(Cl)c1 ZINC001245510382 1104094799 /nfs/dbraw/zinc/09/47/99/1104094799.db2.gz VNLFVXYKRDSQEQ-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(Cl)c1 ZINC001245510382 1104094810 /nfs/dbraw/zinc/09/48/10/1104094810.db2.gz VNLFVXYKRDSQEQ-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Cc1cc(-c2ccc3ncn([C@@H]4CCC[NH2+]CC4)c3c2)c[nH+]c1N ZINC001245537641 1104110109 /nfs/dbraw/zinc/11/01/09/1104110109.db2.gz TUAKROHOKFCNTN-MRXNPFEDSA-N 2 2 321.428 3.304 20 0 DGADLP CC[N@H+]1CC=C(c2cnc(-c3c[nH+]c(N)c(C)c3)c(C)c2)CC1 ZINC001245538324 1104110901 /nfs/dbraw/zinc/11/09/01/1104110901.db2.gz MLNGTTZPRHXYJH-UHFFFAOYSA-N 2 2 308.429 3.452 20 0 DGADLP CC[N@@H+]1CC=C(c2cnc(-c3c[nH+]c(N)c(C)c3)c(C)c2)CC1 ZINC001245538324 1104110907 /nfs/dbraw/zinc/11/09/07/1104110907.db2.gz MLNGTTZPRHXYJH-UHFFFAOYSA-N 2 2 308.429 3.452 20 0 DGADLP CCOc1cc(Nc2cccc(OCC[NH+](C)C)c2)cc(C)[nH+]1 ZINC001212805128 1104170424 /nfs/dbraw/zinc/17/04/24/1104170424.db2.gz OCOZKLWIKUZHHR-UHFFFAOYSA-N 2 2 315.417 3.473 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)sc2C1 ZINC001329161555 1104174471 /nfs/dbraw/zinc/17/44/71/1104174471.db2.gz NRRQELHOSSCCAU-KBPBESRZSA-N 2 2 307.507 3.089 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161555 1104174477 /nfs/dbraw/zinc/17/44/77/1104174477.db2.gz NRRQELHOSSCCAU-KBPBESRZSA-N 2 2 307.507 3.089 20 0 DGADLP CC(C)c1ocnc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001329221848 1104192156 /nfs/dbraw/zinc/19/21/56/1104192156.db2.gz CLIJTUOJAAZWGU-UHFFFAOYSA-N 2 2 301.434 3.492 20 0 DGADLP CC(C)c1ocnc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001329221848 1104192163 /nfs/dbraw/zinc/19/21/63/1104192163.db2.gz CLIJTUOJAAZWGU-UHFFFAOYSA-N 2 2 301.434 3.492 20 0 DGADLP c1coc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4cccs4)C3)C2)c1 ZINC001204014407 1104206189 /nfs/dbraw/zinc/20/61/89/1104206189.db2.gz STUHLYTZVFBIGX-GASCZTMLSA-N 2 2 302.443 3.295 20 0 DGADLP c1coc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4cccs4)C3)C2)c1 ZINC001204014407 1104206196 /nfs/dbraw/zinc/20/61/96/1104206196.db2.gz STUHLYTZVFBIGX-GASCZTMLSA-N 2 2 302.443 3.295 20 0 DGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2cccs2)C3)c1 ZINC001204014407 1104206201 /nfs/dbraw/zinc/20/62/01/1104206201.db2.gz STUHLYTZVFBIGX-GASCZTMLSA-N 2 2 302.443 3.295 20 0 DGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2cccs2)C3)c1 ZINC001204014407 1104206208 /nfs/dbraw/zinc/20/62/08/1104206208.db2.gz STUHLYTZVFBIGX-GASCZTMLSA-N 2 2 302.443 3.295 20 0 DGADLP CCCCC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246062208 1104361686 /nfs/dbraw/zinc/36/16/86/1104361686.db2.gz ZGUFCFMZZFICHI-QGZVFWFLSA-N 2 2 302.462 3.022 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001329666111 1104362814 /nfs/dbraw/zinc/36/28/14/1104362814.db2.gz NEGCPUMVLOQQJD-DZGCQCFKSA-N 2 2 322.522 3.014 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001329666111 1104362825 /nfs/dbraw/zinc/36/28/25/1104362825.db2.gz NEGCPUMVLOQQJD-DZGCQCFKSA-N 2 2 322.522 3.014 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246079408 1104373412 /nfs/dbraw/zinc/37/34/12/1104373412.db2.gz YUMUPOIBLBQIPC-QAPCUYQASA-N 2 2 300.833 3.487 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246079406 1104374013 /nfs/dbraw/zinc/37/40/13/1104374013.db2.gz YUMUPOIBLBQIPC-MAUKXSAKSA-N 2 2 300.833 3.487 20 0 DGADLP CC[C@H]1CC[C@H](C2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC001246089640 1104378249 /nfs/dbraw/zinc/37/82/49/1104378249.db2.gz RANCATADKDPEQE-XBBDAYDNSA-N 2 2 308.510 3.340 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2F)CC[NH2+]1 ZINC001246163002 1104411697 /nfs/dbraw/zinc/41/16/97/1104411697.db2.gz UQKDFDSYAYWHBX-IAQYHMDHSA-N 2 2 300.368 3.360 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+]CC[NH2+]Cc1ccccc1)CC2 ZINC001246172647 1104418866 /nfs/dbraw/zinc/41/88/66/1104418866.db2.gz VXCGOVUBLYVQHA-QGZVFWFLSA-N 2 2 316.395 3.202 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246180173 1104424327 /nfs/dbraw/zinc/42/43/27/1104424327.db2.gz QFVBVLFKWCBNMA-ABAIWWIYSA-N 2 2 302.796 3.091 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246180180 1104424941 /nfs/dbraw/zinc/42/49/41/1104424941.db2.gz QFVBVLFKWCBNMA-XHDPSFHLSA-N 2 2 302.796 3.091 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246183094 1104425849 /nfs/dbraw/zinc/42/58/49/1104425849.db2.gz DCTOBWCNRWOZJE-OALUTQOASA-N 3 2 303.494 3.191 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246183094 1104425856 /nfs/dbraw/zinc/42/58/56/1104425856.db2.gz DCTOBWCNRWOZJE-OALUTQOASA-N 3 2 303.494 3.191 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246186572 1104428151 /nfs/dbraw/zinc/42/81/51/1104428151.db2.gz IYFNLWVQRFQUDT-CQSZACIVSA-N 2 2 306.425 3.379 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246197936 1104433730 /nfs/dbraw/zinc/43/37/30/1104433730.db2.gz RPVRAWLOYUVOSJ-GFCCVEGCSA-N 2 2 304.331 3.465 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246221244 1104443346 /nfs/dbraw/zinc/44/33/46/1104443346.db2.gz JSJQDXVCMFZSFL-RYUDHWBXSA-N 2 2 320.330 3.345 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246224807 1104446203 /nfs/dbraw/zinc/44/62/03/1104446203.db2.gz JDKYFEKMSWEWCJ-YPMHNXCESA-N 2 2 302.796 3.484 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229265 1104447933 /nfs/dbraw/zinc/44/79/33/1104447933.db2.gz KRSBSQLXKXLATQ-GHMZBOCLSA-N 2 2 304.331 3.465 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[NH2+][C@@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246405189 1104528634 /nfs/dbraw/zinc/52/86/34/1104528634.db2.gz LEUMKQXHYJCBCH-ZFWWWQNUSA-N 2 2 324.415 3.440 20 0 DGADLP COc1ccc(C2([NH2+][C@H]3C[NH2+][C@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246460628 1104547385 /nfs/dbraw/zinc/54/73/85/1104547385.db2.gz WAPUQXDHCLUSDH-UKRRQHHQSA-N 2 2 324.415 3.440 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957474 1104561431 /nfs/dbraw/zinc/56/14/31/1104561431.db2.gz LHANSSKHIPFRTR-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957474 1104561436 /nfs/dbraw/zinc/56/14/36/1104561436.db2.gz LHANSSKHIPFRTR-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957474 1104561443 /nfs/dbraw/zinc/56/14/43/1104561443.db2.gz LHANSSKHIPFRTR-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957474 1104561448 /nfs/dbraw/zinc/56/14/48/1104561448.db2.gz LHANSSKHIPFRTR-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP CCC1CCC([NH2+]C[C@@H]([NH3+])c2ccc(C(=O)OC)cc2)CC1 ZINC001246518809 1104573946 /nfs/dbraw/zinc/57/39/46/1104573946.db2.gz JKQDFWNQUTUPBG-QWFMPGPPSA-N 2 2 304.434 3.031 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc(F)c2N)[nH+]1 ZINC001330593514 1104587180 /nfs/dbraw/zinc/58/71/80/1104587180.db2.gz QKEZYVLCHHCOJB-OAHLLOKOSA-N 2 2 314.408 3.188 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc(F)c2N)[nH+]1 ZINC001330593514 1104587187 /nfs/dbraw/zinc/58/71/87/1104587187.db2.gz QKEZYVLCHHCOJB-OAHLLOKOSA-N 2 2 314.408 3.188 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CCCC[C@H]([NH3+])C1)CC2 ZINC001246558712 1104595415 /nfs/dbraw/zinc/59/54/15/1104595415.db2.gz MKNKITSNHSQNJD-QWHCGFSZSA-N 2 2 308.853 3.019 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCCC[C@H]([NH3+])C1)CC2 ZINC001246558712 1104595424 /nfs/dbraw/zinc/59/54/24/1104595424.db2.gz MKNKITSNHSQNJD-QWHCGFSZSA-N 2 2 308.853 3.019 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246575237 1104601616 /nfs/dbraw/zinc/60/16/16/1104601616.db2.gz ZXUBIKCBDPEWHD-VCTAVGKDSA-N 2 2 302.796 3.171 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246575237 1104601621 /nfs/dbraw/zinc/60/16/21/1104601621.db2.gz ZXUBIKCBDPEWHD-VCTAVGKDSA-N 2 2 302.796 3.171 20 0 DGADLP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066498 1104605107 /nfs/dbraw/zinc/60/51/07/1104605107.db2.gz XCCWCIHCQSPFHM-QFBILLFUSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066498 1104605110 /nfs/dbraw/zinc/60/51/10/1104605110.db2.gz XCCWCIHCQSPFHM-QFBILLFUSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066498 1104605112 /nfs/dbraw/zinc/60/51/12/1104605112.db2.gz XCCWCIHCQSPFHM-QFBILLFUSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066498 1104605116 /nfs/dbraw/zinc/60/51/16/1104605116.db2.gz XCCWCIHCQSPFHM-QFBILLFUSA-N 2 2 318.509 3.063 20 0 DGADLP CCC[C@@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074307 1104609971 /nfs/dbraw/zinc/60/99/71/1104609971.db2.gz QKBVXZLUWJBQFJ-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074307 1104609978 /nfs/dbraw/zinc/60/99/78/1104609978.db2.gz QKBVXZLUWJBQFJ-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074307 1104609984 /nfs/dbraw/zinc/60/99/84/1104609984.db2.gz QKBVXZLUWJBQFJ-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074307 1104609992 /nfs/dbraw/zinc/60/99/92/1104609992.db2.gz QKBVXZLUWJBQFJ-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246608679 1104624360 /nfs/dbraw/zinc/62/43/60/1104624360.db2.gz IPOQVYHNKOHNKX-BBRMVZONSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246608679 1104624365 /nfs/dbraw/zinc/62/43/65/1104624365.db2.gz IPOQVYHNKOHNKX-BBRMVZONSA-N 2 2 312.379 3.464 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610565 1104625782 /nfs/dbraw/zinc/62/57/82/1104625782.db2.gz PIIFTTHQMOVJGJ-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610565 1104625786 /nfs/dbraw/zinc/62/57/86/1104625786.db2.gz PIIFTTHQMOVJGJ-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246612099 1104626512 /nfs/dbraw/zinc/62/65/12/1104626512.db2.gz HHZUIXKDZPTYLU-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246612099 1104626515 /nfs/dbraw/zinc/62/65/15/1104626515.db2.gz HHZUIXKDZPTYLU-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP COc1ccccc1C[C@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612299 1104628681 /nfs/dbraw/zinc/62/86/81/1104628681.db2.gz IGWILOIBDACAHJ-LPHOPBHVSA-N 2 2 302.462 3.234 20 0 DGADLP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612299 1104628684 /nfs/dbraw/zinc/62/86/84/1104628684.db2.gz IGWILOIBDACAHJ-LPHOPBHVSA-N 2 2 302.462 3.234 20 0 DGADLP Fc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246614214 1104628802 /nfs/dbraw/zinc/62/88/02/1104628802.db2.gz MZOYQBKXCPNHFE-LPHOPBHVSA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246614214 1104628803 /nfs/dbraw/zinc/62/88/03/1104628803.db2.gz MZOYQBKXCPNHFE-LPHOPBHVSA-N 2 2 302.437 3.291 20 0 DGADLP CSCCC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001275110174 1104630337 /nfs/dbraw/zinc/63/03/37/1104630337.db2.gz YVHCADVMJPMFLS-UHFFFAOYSA-N 2 2 310.429 3.090 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615270 1104629874 /nfs/dbraw/zinc/62/98/74/1104629874.db2.gz RONQPEBMBBFQGG-WMZOPIPTSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615270 1104629876 /nfs/dbraw/zinc/62/98/76/1104629876.db2.gz RONQPEBMBBFQGG-WMZOPIPTSA-N 2 2 310.482 3.107 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615928 1104630267 /nfs/dbraw/zinc/63/02/67/1104630267.db2.gz XSMLOBZZSYHCTK-CJNGLKHVSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615928 1104630272 /nfs/dbraw/zinc/63/02/72/1104630272.db2.gz XSMLOBZZSYHCTK-CJNGLKHVSA-N 2 2 323.278 3.208 20 0 DGADLP CSCCC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001275110174 1104630340 /nfs/dbraw/zinc/63/03/40/1104630340.db2.gz YVHCADVMJPMFLS-UHFFFAOYSA-N 2 2 310.429 3.090 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246619298 1104631373 /nfs/dbraw/zinc/63/13/73/1104631373.db2.gz MYLKVTYHAKFMGU-BVSLBCMMSA-N 2 2 318.464 3.424 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246619298 1104631375 /nfs/dbraw/zinc/63/13/75/1104631375.db2.gz MYLKVTYHAKFMGU-BVSLBCMMSA-N 2 2 318.464 3.424 20 0 DGADLP CCCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275121032 1104634833 /nfs/dbraw/zinc/63/48/33/1104634833.db2.gz RZKLQOLCWTZBIS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275121032 1104634836 /nfs/dbraw/zinc/63/48/36/1104634836.db2.gz RZKLQOLCWTZBIS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275121032 1104634838 /nfs/dbraw/zinc/63/48/38/1104634838.db2.gz RZKLQOLCWTZBIS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275121032 1104634841 /nfs/dbraw/zinc/63/48/41/1104634841.db2.gz RZKLQOLCWTZBIS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641465 1104642575 /nfs/dbraw/zinc/64/25/75/1104642575.db2.gz IHXUUAPGEOGBEA-VBNZEHGJSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641465 1104642580 /nfs/dbraw/zinc/64/25/80/1104642580.db2.gz IHXUUAPGEOGBEA-VBNZEHGJSA-N 2 2 311.256 3.287 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1(C)C ZINC001246651527 1104647687 /nfs/dbraw/zinc/64/76/87/1104647687.db2.gz MFGZABLCZRJSKJ-LJQANCHMSA-N 3 2 307.526 3.246 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCCC[C@]23CCC[NH2+]C3)CC1(C)C ZINC001246651527 1104647685 /nfs/dbraw/zinc/64/76/85/1104647685.db2.gz MFGZABLCZRJSKJ-LJQANCHMSA-N 3 2 307.526 3.246 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246652412 1104648766 /nfs/dbraw/zinc/64/87/66/1104648766.db2.gz OOSROCIAOAHTNL-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246652412 1104648770 /nfs/dbraw/zinc/64/87/70/1104648770.db2.gz OOSROCIAOAHTNL-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP CC(C)(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275151925 1104655351 /nfs/dbraw/zinc/65/53/51/1104655351.db2.gz VTFMQLFXKWSPMF-RBUKOAKNSA-N 3 2 318.509 3.344 20 0 DGADLP COc1ccccc1CC1CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246697417 1104664231 /nfs/dbraw/zinc/66/42/31/1104664231.db2.gz NCBLYMCJRJJJIP-YJBOKZPZSA-N 2 2 302.462 3.090 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246768800 1104667806 /nfs/dbraw/zinc/66/78/06/1104667806.db2.gz VFPOORNSXXCRRN-QRFRQXIXSA-N 2 2 313.489 3.073 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246768800 1104667809 /nfs/dbraw/zinc/66/78/09/1104667809.db2.gz VFPOORNSXXCRRN-QRFRQXIXSA-N 2 2 313.489 3.073 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782058 1104671590 /nfs/dbraw/zinc/67/15/90/1104671590.db2.gz WZOYMTCYOJXNND-CRAIPNDOSA-N 2 2 319.468 3.114 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785633 1104674048 /nfs/dbraw/zinc/67/40/48/1104674048.db2.gz BXDJMMDJLJAJEU-IAGOWNOFSA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785633 1104674053 /nfs/dbraw/zinc/67/40/53/1104674053.db2.gz BXDJMMDJLJAJEU-IAGOWNOFSA-N 2 2 308.853 3.073 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC001246807724 1104683516 /nfs/dbraw/zinc/68/35/16/1104683516.db2.gz QMNSVKGIQKIROV-SCTDSRPQSA-N 2 2 320.452 3.428 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC001246807724 1104683519 /nfs/dbraw/zinc/68/35/19/1104683519.db2.gz QMNSVKGIQKIROV-SCTDSRPQSA-N 2 2 320.452 3.428 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CCc2ccc3cc(OC)ccc3c2)C1 ZINC001246812177 1104687101 /nfs/dbraw/zinc/68/71/01/1104687101.db2.gz HKHKLZOEYJBPNK-DNVCBOLYSA-N 2 2 312.457 3.463 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CCc2ccc3cc(OC)ccc3c2)C1 ZINC001246812177 1104687109 /nfs/dbraw/zinc/68/71/09/1104687109.db2.gz HKHKLZOEYJBPNK-DNVCBOLYSA-N 2 2 312.457 3.463 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822037 1104691713 /nfs/dbraw/zinc/69/17/13/1104691713.db2.gz LONSBRRSSVOHRZ-INWMFGNUSA-N 2 2 323.278 3.379 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822037 1104691715 /nfs/dbraw/zinc/69/17/15/1104691715.db2.gz LONSBRRSSVOHRZ-INWMFGNUSA-N 2 2 323.278 3.379 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246836225 1104697473 /nfs/dbraw/zinc/69/74/73/1104697473.db2.gz NGCKGCIWNUCOCN-NZSAHSFTSA-N 2 2 320.452 3.284 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246836225 1104697478 /nfs/dbraw/zinc/69/74/78/1104697478.db2.gz NGCKGCIWNUCOCN-NZSAHSFTSA-N 2 2 320.452 3.284 20 0 DGADLP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001246853561 1104708765 /nfs/dbraw/zinc/70/87/65/1104708765.db2.gz WRJUXSNTLINGBH-GFCCVEGCSA-N 2 2 316.276 3.113 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)C[NH2+]1 ZINC001246916967 1104735279 /nfs/dbraw/zinc/73/52/79/1104735279.db2.gz NCCFFIITXPKBHQ-XAJHFOFHSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)C[NH2+]1 ZINC001246916967 1104735285 /nfs/dbraw/zinc/73/52/85/1104735285.db2.gz NCCFFIITXPKBHQ-XAJHFOFHSA-N 2 2 322.493 3.102 20 0 DGADLP CO[C@@H]1CCC[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933041 1104741104 /nfs/dbraw/zinc/74/11/04/1104741104.db2.gz FZXKNDOTNIGXGS-GUDVDZBRSA-N 2 2 320.452 3.337 20 0 DGADLP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933041 1104741106 /nfs/dbraw/zinc/74/11/06/1104741106.db2.gz FZXKNDOTNIGXGS-GUDVDZBRSA-N 2 2 320.452 3.337 20 0 DGADLP C[C@@H]1CC([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246933605 1104743360 /nfs/dbraw/zinc/74/33/60/1104743360.db2.gz HJJCIZOIFMKLIL-RKVPGOIHSA-N 2 2 320.452 3.336 20 0 DGADLP C[C@@H]1CC([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246933605 1104743367 /nfs/dbraw/zinc/74/33/67/1104743367.db2.gz HJJCIZOIFMKLIL-RKVPGOIHSA-N 2 2 320.452 3.336 20 0 DGADLP CC1(C)C[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246938729 1104744306 /nfs/dbraw/zinc/74/43/06/1104744306.db2.gz SUVKXXAUGOEJMO-QZTJIDSGSA-N 2 2 320.452 3.337 20 0 DGADLP CC1(C)C[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246938729 1104744313 /nfs/dbraw/zinc/74/43/13/1104744313.db2.gz SUVKXXAUGOEJMO-QZTJIDSGSA-N 2 2 320.452 3.337 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401277 1104747232 /nfs/dbraw/zinc/74/72/32/1104747232.db2.gz KOOGDEMXIGEBDB-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401277 1104747237 /nfs/dbraw/zinc/74/72/37/1104747237.db2.gz KOOGDEMXIGEBDB-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401277 1104747241 /nfs/dbraw/zinc/74/72/41/1104747241.db2.gz KOOGDEMXIGEBDB-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401277 1104747245 /nfs/dbraw/zinc/74/72/45/1104747245.db2.gz KOOGDEMXIGEBDB-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP CCOC(=O)C[N@H+](C1CCCC1)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246950521 1104750256 /nfs/dbraw/zinc/75/02/56/1104750256.db2.gz WDDCHYDAAFYSOM-GJZGRUSLSA-N 2 2 310.482 3.103 20 0 DGADLP CCOC(=O)C[N@@H+](C1CCCC1)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246950521 1104750258 /nfs/dbraw/zinc/75/02/58/1104750258.db2.gz WDDCHYDAAFYSOM-GJZGRUSLSA-N 2 2 310.482 3.103 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246949701 1104750311 /nfs/dbraw/zinc/75/03/11/1104750311.db2.gz PPAFMADXEUKJAB-UKRRQHHQSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246949701 1104750318 /nfs/dbraw/zinc/75/03/18/1104750318.db2.gz PPAFMADXEUKJAB-UKRRQHHQSA-N 2 2 314.351 3.474 20 0 DGADLP C[C@H]1CC([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001246958193 1104752653 /nfs/dbraw/zinc/75/26/53/1104752653.db2.gz CBGUDGOCGQVING-NUJGCVRESA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001246958193 1104752655 /nfs/dbraw/zinc/75/26/55/1104752655.db2.gz CBGUDGOCGQVING-NUJGCVRESA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246958055 1104753020 /nfs/dbraw/zinc/75/30/20/1104753020.db2.gz BSJDXYKFYXGENZ-JFRXWTBNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246958055 1104753025 /nfs/dbraw/zinc/75/30/25/1104753025.db2.gz BSJDXYKFYXGENZ-JFRXWTBNSA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975495 1104758229 /nfs/dbraw/zinc/75/82/29/1104758229.db2.gz UHTUAUZMERMLCO-VSZNYVQBSA-N 3 2 317.477 3.152 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975495 1104758233 /nfs/dbraw/zinc/75/82/33/1104758233.db2.gz UHTUAUZMERMLCO-VSZNYVQBSA-N 3 2 317.477 3.152 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246994678 1104767423 /nfs/dbraw/zinc/76/74/23/1104767423.db2.gz CPCXUZGTKNKVNO-TZMCWYRMSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246994678 1104767425 /nfs/dbraw/zinc/76/74/25/1104767425.db2.gz CPCXUZGTKNKVNO-TZMCWYRMSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3c(Br)cccc3C[C@H]2C)CC[NH2+]1 ZINC001247001426 1104771186 /nfs/dbraw/zinc/77/11/86/1104771186.db2.gz IPNSPWYXRLMQQB-BZPMIXESSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2Cc3c(Br)cccc3C[C@H]2C)CC[NH2+]1 ZINC001247001426 1104771194 /nfs/dbraw/zinc/77/11/94/1104771194.db2.gz IPNSPWYXRLMQQB-BZPMIXESSA-N 2 2 323.278 3.336 20 0 DGADLP C[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[NH2+]C1 ZINC001247002992 1104773375 /nfs/dbraw/zinc/77/33/75/1104773375.db2.gz UXQCUGLQONDLFJ-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[NH2+]C1 ZINC001247002992 1104773379 /nfs/dbraw/zinc/77/33/79/1104773379.db2.gz UXQCUGLQONDLFJ-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012210 1104777002 /nfs/dbraw/zinc/77/70/02/1104777002.db2.gz CWQKAYUTJHTHDD-IGCXYCKISA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012210 1104777004 /nfs/dbraw/zinc/77/70/04/1104777004.db2.gz CWQKAYUTJHTHDD-IGCXYCKISA-N 2 2 310.844 3.484 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275606825 1104830671 /nfs/dbraw/zinc/83/06/71/1104830671.db2.gz HREYGTNSMUSGKQ-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275606825 1104830680 /nfs/dbraw/zinc/83/06/80/1104830680.db2.gz HREYGTNSMUSGKQ-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)nn1C ZINC001275660230 1104850767 /nfs/dbraw/zinc/85/07/67/1104850767.db2.gz OTVCAIBFSUAAFT-RBUKOAKNSA-N 2 2 316.493 3.196 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)n1 ZINC001275688148 1104863419 /nfs/dbraw/zinc/86/34/19/1104863419.db2.gz MOHXRWOEBFHGED-ZWKOTPCHSA-N 2 2 302.466 3.185 20 0 DGADLP c1cn(-c2ccccc2-c2noc([C@H]3[NH2+]C4CCC3CC4)n2)c[nH+]1 ZINC001247635329 1104945360 /nfs/dbraw/zinc/94/53/60/1104945360.db2.gz YPSBCMWXXXPLKE-ZUEPYMLJSA-N 2 2 321.384 3.125 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@]3(CCC[NH+](Cc4ccncc4)C3)C2)c1 ZINC001275889169 1104945958 /nfs/dbraw/zinc/94/59/58/1104945958.db2.gz OTZIGCPEOZKRBF-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@]3(CCC[NH+](Cc4ccncc4)C3)C2)c1 ZINC001275889169 1104945963 /nfs/dbraw/zinc/94/59/63/1104945963.db2.gz OTZIGCPEOZKRBF-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@H+](Cc4ccncc4)C3)C2)c1 ZINC001275889169 1104945966 /nfs/dbraw/zinc/94/59/66/1104945966.db2.gz OTZIGCPEOZKRBF-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)c1 ZINC001275889169 1104945971 /nfs/dbraw/zinc/94/59/71/1104945971.db2.gz OTZIGCPEOZKRBF-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP CC[NH+]1CCC(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC001247715303 1104963634 /nfs/dbraw/zinc/96/36/34/1104963634.db2.gz NBZSYSYCNSOPIU-UHFFFAOYSA-N 2 2 323.400 3.122 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC001275967427 1104970942 /nfs/dbraw/zinc/97/09/42/1104970942.db2.gz PQHSKVJWONVIFZ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC001275967427 1104970944 /nfs/dbraw/zinc/97/09/44/1104970944.db2.gz PQHSKVJWONVIFZ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001275967427 1104970949 /nfs/dbraw/zinc/97/09/49/1104970949.db2.gz PQHSKVJWONVIFZ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001275967427 1104970953 /nfs/dbraw/zinc/97/09/53/1104970953.db2.gz PQHSKVJWONVIFZ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CC1(C)C[NH2+][C@@](C)(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001247787175 1104982444 /nfs/dbraw/zinc/98/24/44/1104982444.db2.gz YWVHJZOGSMHWRM-GOSISDBHSA-N 2 2 323.400 3.157 20 0 DGADLP C[C@@H]1CC(C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)C[C@@H](C)O1 ZINC001276017640 1104988719 /nfs/dbraw/zinc/98/87/19/1104988719.db2.gz CVDHUSJDKJOYHX-IIHSZXCVSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1CC(C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)C[C@@H](C)O1 ZINC001276017640 1104988725 /nfs/dbraw/zinc/98/87/25/1104988725.db2.gz CVDHUSJDKJOYHX-IIHSZXCVSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1CC(C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)C[C@@H](C)O1 ZINC001276017640 1104988731 /nfs/dbraw/zinc/98/87/31/1104988731.db2.gz CVDHUSJDKJOYHX-IIHSZXCVSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1CC(C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)C[C@@H](C)O1 ZINC001276017640 1104988734 /nfs/dbraw/zinc/98/87/34/1104988734.db2.gz CVDHUSJDKJOYHX-IIHSZXCVSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032877 1104991973 /nfs/dbraw/zinc/99/19/73/1104991973.db2.gz PZVXHEPLIFAYFR-ZHALLVOQSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032877 1104991976 /nfs/dbraw/zinc/99/19/76/1104991976.db2.gz PZVXHEPLIFAYFR-ZHALLVOQSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032877 1104991979 /nfs/dbraw/zinc/99/19/79/1104991979.db2.gz PZVXHEPLIFAYFR-ZHALLVOQSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032877 1104991982 /nfs/dbraw/zinc/99/19/82/1104991982.db2.gz PZVXHEPLIFAYFR-ZHALLVOQSA-N 2 2 301.478 3.349 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276068538 1105008088 /nfs/dbraw/zinc/00/80/88/1105008088.db2.gz XMDCWTGNQIYCCJ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276068538 1105008093 /nfs/dbraw/zinc/00/80/93/1105008093.db2.gz XMDCWTGNQIYCCJ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276068538 1105008101 /nfs/dbraw/zinc/00/81/01/1105008101.db2.gz XMDCWTGNQIYCCJ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276068538 1105008107 /nfs/dbraw/zinc/00/81/07/1105008107.db2.gz XMDCWTGNQIYCCJ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106667 1105017742 /nfs/dbraw/zinc/01/77/42/1105017742.db2.gz NQEKAPWFQGPFMA-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106667 1105017747 /nfs/dbraw/zinc/01/77/47/1105017747.db2.gz NQEKAPWFQGPFMA-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106667 1105017753 /nfs/dbraw/zinc/01/77/53/1105017753.db2.gz NQEKAPWFQGPFMA-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3N)C2)C1 ZINC001276106667 1105017757 /nfs/dbraw/zinc/01/77/57/1105017757.db2.gz NQEKAPWFQGPFMA-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1[nH]c[nH+]c1C)C2 ZINC001276208107 1105047781 /nfs/dbraw/zinc/04/77/81/1105047781.db2.gz ZYTLGUGHCVXYMQ-KURKYZTESA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1[nH]c[nH+]c1C)C2 ZINC001276208107 1105047787 /nfs/dbraw/zinc/04/77/87/1105047787.db2.gz ZYTLGUGHCVXYMQ-KURKYZTESA-N 2 2 318.509 3.441 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001256825836 1105075680 /nfs/dbraw/zinc/07/56/80/1105075680.db2.gz CNDNRZGKDBQJOS-TZMCWYRMSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001256825836 1105075687 /nfs/dbraw/zinc/07/56/87/1105075687.db2.gz CNDNRZGKDBQJOS-TZMCWYRMSA-N 2 2 311.267 3.064 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Br)C[C@H]2C1 ZINC001248624189 1105138344 /nfs/dbraw/zinc/13/83/44/1105138344.db2.gz MFXIFNZUIIWMJH-ZIAGYGMSSA-N 2 2 323.278 3.141 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2[nH]ccc21 ZINC001248814587 1105169457 /nfs/dbraw/zinc/16/94/57/1105169457.db2.gz SYHVQFVLPQCJRQ-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP [NH3+]C[C@H]1CC[C@@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC1 ZINC001249160256 1105235608 /nfs/dbraw/zinc/23/56/08/1105235608.db2.gz CAHPNLKFHMLFOR-OKILXGFUSA-N 2 2 323.400 3.155 20 0 DGADLP CC(C)[C@H](c1nc(-c2ccccc2-n2cc[nH+]c2)no1)[NH+](C)C ZINC001249200373 1105246194 /nfs/dbraw/zinc/24/61/94/1105246194.db2.gz GWWSAZCLSUJZNS-OAHLLOKOSA-N 2 2 311.389 3.181 20 0 DGADLP CC(C)C[C@@H](C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249260837 1105259410 /nfs/dbraw/zinc/25/94/10/1105259410.db2.gz INTLCQLGJCNETP-AWEZNQCLSA-N 2 2 311.389 3.011 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249525441 1105306205 /nfs/dbraw/zinc/30/62/05/1105306205.db2.gz NXDUAMFNFRUMIT-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249525441 1105306211 /nfs/dbraw/zinc/30/62/11/1105306211.db2.gz NXDUAMFNFRUMIT-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccnc(OCC)c2)CC1 ZINC001250018552 1105428464 /nfs/dbraw/zinc/42/84/64/1105428464.db2.gz DPQGUYNNHDVJMG-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccnc(OCC)c2)CC1 ZINC001250018552 1105428467 /nfs/dbraw/zinc/42/84/67/1105428467.db2.gz DPQGUYNNHDVJMG-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP C[NH+]1CCN(c2cccc3[nH+]c(Cc4cccc(F)c4)[nH]c32)CC1 ZINC001250567466 1105538089 /nfs/dbraw/zinc/53/80/89/1105538089.db2.gz KFVAREJGIDMOTL-UHFFFAOYSA-N 2 2 324.403 3.045 20 0 DGADLP CC[C@@H](O)C[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001251806350 1105698172 /nfs/dbraw/zinc/69/81/72/1105698172.db2.gz XNKNKTLORLBQKJ-HXUWFJFHSA-N 2 2 324.468 3.068 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)ccc1F ZINC001251861490 1105702610 /nfs/dbraw/zinc/70/26/10/1105702610.db2.gz CARJDMIMHVZAEX-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001255968090 1105738559 /nfs/dbraw/zinc/73/85/59/1105738559.db2.gz VQOUIZKWUDONTF-DZGCQCFKSA-N 2 2 324.431 3.132 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC001253211900 1105903842 /nfs/dbraw/zinc/90/38/42/1105903842.db2.gz ZQDMOMZWYJWLDB-GOSISDBHSA-N 2 2 318.486 3.207 20 0 DGADLP CCCCC[C@@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253536399 1105952319 /nfs/dbraw/zinc/95/23/19/1105952319.db2.gz GGPZCUMLYKYYEN-GOSISDBHSA-N 2 2 301.434 3.245 20 0 DGADLP CCCCC[C@@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253536399 1105952321 /nfs/dbraw/zinc/95/23/21/1105952321.db2.gz GGPZCUMLYKYYEN-GOSISDBHSA-N 2 2 301.434 3.245 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253731725 1105976302 /nfs/dbraw/zinc/97/63/02/1105976302.db2.gz UTJRNDBXMIDZGA-SFHVURJKSA-N 2 2 322.468 3.129 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC001253731725 1105976304 /nfs/dbraw/zinc/97/63/04/1105976304.db2.gz UTJRNDBXMIDZGA-SFHVURJKSA-N 2 2 322.468 3.129 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254389101 1106064339 /nfs/dbraw/zinc/06/43/39/1106064339.db2.gz NOYVJGJYDJVXDR-GOSISDBHSA-N 2 2 322.880 3.415 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254389101 1106064346 /nfs/dbraw/zinc/06/43/46/1106064346.db2.gz NOYVJGJYDJVXDR-GOSISDBHSA-N 2 2 322.880 3.415 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](C4CCC5(CC5)CC4)C[C@H]3C2)nc1 ZINC001254442183 1106071022 /nfs/dbraw/zinc/07/10/22/1106071022.db2.gz BZAGNBAWNCSBKF-IAGOWNOFSA-N 2 2 311.473 3.168 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC001254509279 1106087218 /nfs/dbraw/zinc/08/72/18/1106087218.db2.gz XZUARVMRYWYFBK-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC001254509279 1106087226 /nfs/dbraw/zinc/08/72/26/1106087226.db2.gz XZUARVMRYWYFBK-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001254514745 1106089071 /nfs/dbraw/zinc/08/90/71/1106089071.db2.gz ONELUYBPYQZAPR-ZDUSSCGKSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001254514745 1106089075 /nfs/dbraw/zinc/08/90/75/1106089075.db2.gz ONELUYBPYQZAPR-ZDUSSCGKSA-N 2 2 303.381 3.055 20 0 DGADLP OCC[C@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254840889 1106146776 /nfs/dbraw/zinc/14/67/76/1106146776.db2.gz PTSJYNZPWIPIGG-NQIIRXRSSA-N 2 2 324.468 3.337 20 0 DGADLP COCCC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254848964 1106149059 /nfs/dbraw/zinc/14/90/59/1106149059.db2.gz ZPUHGQYHMHNSKT-HNNXBMFYSA-N 2 2 316.436 3.045 20 0 DGADLP C[N@H+](C1CCSCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001255088531 1106176065 /nfs/dbraw/zinc/17/60/65/1106176065.db2.gz XEPGCBKHYYYXGG-UHFFFAOYSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@@H+](C1CCSCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001255088531 1106176067 /nfs/dbraw/zinc/17/60/67/1106176067.db2.gz XEPGCBKHYYYXGG-UHFFFAOYSA-N 2 2 304.503 3.478 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC001255273935 1106213503 /nfs/dbraw/zinc/21/35/03/1106213503.db2.gz IEQZMYROLZPXDW-MRXNPFEDSA-N 2 2 308.466 3.194 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001255321049 1106221481 /nfs/dbraw/zinc/22/14/81/1106221481.db2.gz XCSQCTRWPJXOOM-QXAKKESOSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001255321049 1106221483 /nfs/dbraw/zinc/22/14/83/1106221483.db2.gz XCSQCTRWPJXOOM-QXAKKESOSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394338 1106240967 /nfs/dbraw/zinc/24/09/67/1106240967.db2.gz VPFWBXRCMXMHJR-SJLPKXTDSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394338 1106240970 /nfs/dbraw/zinc/24/09/70/1106240970.db2.gz VPFWBXRCMXMHJR-SJLPKXTDSA-N 2 2 310.445 3.182 20 0 DGADLP CC1(C)C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255404489 1106244929 /nfs/dbraw/zinc/24/49/29/1106244929.db2.gz JPBIWIYKPCIHIH-GOSISDBHSA-N 2 2 314.473 3.342 20 0 DGADLP CC1(C)C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255404489 1106244933 /nfs/dbraw/zinc/24/49/33/1106244933.db2.gz JPBIWIYKPCIHIH-GOSISDBHSA-N 2 2 314.473 3.342 20 0 DGADLP CC1(C)C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255404489 1106244935 /nfs/dbraw/zinc/24/49/35/1106244935.db2.gz JPBIWIYKPCIHIH-GOSISDBHSA-N 2 2 314.473 3.342 20 0 DGADLP CC1(C)C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255404489 1106244938 /nfs/dbraw/zinc/24/49/38/1106244938.db2.gz JPBIWIYKPCIHIH-GOSISDBHSA-N 2 2 314.473 3.342 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410448 1106247743 /nfs/dbraw/zinc/24/77/43/1106247743.db2.gz XCXJPECMBYHDRA-FQEVSTJZSA-N 3 2 317.521 3.315 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410448 1106247747 /nfs/dbraw/zinc/24/77/47/1106247747.db2.gz XCXJPECMBYHDRA-FQEVSTJZSA-N 3 2 317.521 3.315 20 0 DGADLP CC[NH+](CCC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410448 1106247751 /nfs/dbraw/zinc/24/77/51/1106247751.db2.gz XCXJPECMBYHDRA-FQEVSTJZSA-N 3 2 317.521 3.315 20 0 DGADLP CC[NH+](CCC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410448 1106247754 /nfs/dbraw/zinc/24/77/54/1106247754.db2.gz XCXJPECMBYHDRA-FQEVSTJZSA-N 3 2 317.521 3.315 20 0 DGADLP C[C@H](CC(F)(F)F)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001255654094 1106286355 /nfs/dbraw/zinc/28/63/55/1106286355.db2.gz YYZYAHOJTDJUPA-AGIUHOORSA-N 2 2 318.408 3.453 20 0 DGADLP Cc1[nH+]cn([C@H](C)Cc2ccc(C)cc2)c1CSCC[NH3+] ZINC001255778085 1106314308 /nfs/dbraw/zinc/31/43/08/1106314308.db2.gz QNCOMJGZOVQYKH-CQSZACIVSA-N 2 2 303.475 3.496 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001255861714 1106331589 /nfs/dbraw/zinc/33/15/89/1106331589.db2.gz HCWCUDHKXDGJOM-HNNXBMFYSA-N 2 2 313.420 3.102 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC001255941364 1106345268 /nfs/dbraw/zinc/34/52/68/1106345268.db2.gz PCGQERQFAGFGGQ-GFCCVEGCSA-N 2 2 314.271 3.054 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001255946467 1106346108 /nfs/dbraw/zinc/34/61/08/1106346108.db2.gz AEYGGKCSEOTKRO-QGZVFWFLSA-N 3 2 318.509 3.008 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(Br)ccn1 ZINC001255945005 1106346322 /nfs/dbraw/zinc/34/63/22/1106346322.db2.gz ISPHMSJPCATFTD-GFCCVEGCSA-N 2 2 314.271 3.054 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOc2c(F)cc(F)cc21 ZINC001255953962 1106348793 /nfs/dbraw/zinc/34/87/93/1106348793.db2.gz XLZWZZYWQXINNJ-BLLLJJGKSA-N 2 2 312.404 3.498 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001255960009 1106350250 /nfs/dbraw/zinc/35/02/50/1106350250.db2.gz CJACYLKZPWKQFH-OALUTQOASA-N 3 2 309.542 3.447 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001255960009 1106350253 /nfs/dbraw/zinc/35/02/53/1106350253.db2.gz CJACYLKZPWKQFH-OALUTQOASA-N 3 2 309.542 3.447 20 0 DGADLP Clc1ncccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071742 1106364065 /nfs/dbraw/zinc/36/40/65/1106364065.db2.gz MZGVJFOLMBZRLT-MRXNPFEDSA-N 2 2 305.853 3.403 20 0 DGADLP Clc1cccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256075411 1106365433 /nfs/dbraw/zinc/36/54/33/1106365433.db2.gz JCGAFGPDFIJNON-UHFFFAOYSA-N 2 2 319.880 3.089 20 0 DGADLP Cc1ccc(O[C@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078092 1106366116 /nfs/dbraw/zinc/36/61/16/1106366116.db2.gz URZKRCGLYSCMDR-FQEVSTJZSA-N 2 2 314.473 3.465 20 0 DGADLP Cc1ccc(O[C@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078092 1106366118 /nfs/dbraw/zinc/36/61/18/1106366118.db2.gz URZKRCGLYSCMDR-FQEVSTJZSA-N 2 2 314.473 3.465 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078543 1106366167 /nfs/dbraw/zinc/36/61/67/1106366167.db2.gz YXYOMPQRPAYMAV-LJQANCHMSA-N 2 2 314.473 3.465 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078543 1106366170 /nfs/dbraw/zinc/36/61/70/1106366170.db2.gz YXYOMPQRPAYMAV-LJQANCHMSA-N 2 2 314.473 3.465 20 0 DGADLP c1ccc(O[C@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078031 1106366505 /nfs/dbraw/zinc/36/65/05/1106366505.db2.gz SSQAFFWIARRGMS-IBGZPJMESA-N 2 2 300.446 3.157 20 0 DGADLP c1ccc(O[C@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078031 1106366507 /nfs/dbraw/zinc/36/65/07/1106366507.db2.gz SSQAFFWIARRGMS-IBGZPJMESA-N 2 2 300.446 3.157 20 0 DGADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108261 1106369001 /nfs/dbraw/zinc/36/90/01/1106369001.db2.gz HDEBFRYJNOPXTP-VQTJNVASSA-N 3 2 317.521 3.315 20 0 DGADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108261 1106369004 /nfs/dbraw/zinc/36/90/04/1106369004.db2.gz HDEBFRYJNOPXTP-VQTJNVASSA-N 3 2 317.521 3.315 20 0 DGADLP COc1cccc(C[C@@H](C)[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001256161496 1106381043 /nfs/dbraw/zinc/38/10/43/1106381043.db2.gz OADFPZHMCRNPRX-MRXNPFEDSA-N 2 2 314.473 3.044 20 0 DGADLP COc1cccc(C[C@@H](C)[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001256161496 1106381047 /nfs/dbraw/zinc/38/10/47/1106381047.db2.gz OADFPZHMCRNPRX-MRXNPFEDSA-N 2 2 314.473 3.044 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001256194831 1106389059 /nfs/dbraw/zinc/38/90/59/1106389059.db2.gz PVIZIHFISYBPBQ-UHFFFAOYSA-N 2 2 319.449 3.217 20 0 DGADLP C[C@@H]1OC2(CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC001256214509 1106392119 /nfs/dbraw/zinc/39/21/19/1106392119.db2.gz KOQOJYGFYWQAPI-HNNXBMFYSA-N 2 2 300.446 3.163 20 0 DGADLP COc1cc(N([C@H](C)CCC(C)C)C2CC[NH2+]CC2)cc[nH+]1 ZINC001256374020 1106412676 /nfs/dbraw/zinc/41/26/76/1106412676.db2.gz FDXZOKUGOVBEER-OAHLLOKOSA-N 2 2 305.466 3.473 20 0 DGADLP COc1cc(N([C@@H](C)CCC(C)C)C2CC[NH2+]CC2)cc[nH+]1 ZINC001256374019 1106412699 /nfs/dbraw/zinc/41/26/99/1106412699.db2.gz FDXZOKUGOVBEER-HNNXBMFYSA-N 2 2 305.466 3.473 20 0 DGADLP C[C@H](Cc1ccccn1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256424927 1106420043 /nfs/dbraw/zinc/42/00/43/1106420043.db2.gz OVCXGNIJMOQWTI-MRXNPFEDSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@H](Cc1ccccn1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256424927 1106420048 /nfs/dbraw/zinc/42/00/48/1106420048.db2.gz OVCXGNIJMOQWTI-MRXNPFEDSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256427107 1106421084 /nfs/dbraw/zinc/42/10/84/1106421084.db2.gz VAGPUAZCDWRFPV-INIZCTEOSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256427107 1106421086 /nfs/dbraw/zinc/42/10/86/1106421086.db2.gz VAGPUAZCDWRFPV-INIZCTEOSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cncnc1 ZINC001256527290 1106434698 /nfs/dbraw/zinc/43/46/98/1106434698.db2.gz RGAYQGIEGHZXCI-GJYPPUQNSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cncnc1 ZINC001256527290 1106434699 /nfs/dbraw/zinc/43/46/99/1106434699.db2.gz RGAYQGIEGHZXCI-GJYPPUQNSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535868 1106436409 /nfs/dbraw/zinc/43/64/09/1106436409.db2.gz BDKPCHZNFAAGAU-OJAHFUOMSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256535868 1106436411 /nfs/dbraw/zinc/43/64/11/1106436411.db2.gz BDKPCHZNFAAGAU-OJAHFUOMSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535868 1106436413 /nfs/dbraw/zinc/43/64/13/1106436413.db2.gz BDKPCHZNFAAGAU-OJAHFUOMSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535868 1106436417 /nfs/dbraw/zinc/43/64/17/1106436417.db2.gz BDKPCHZNFAAGAU-OJAHFUOMSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537419 1106436762 /nfs/dbraw/zinc/43/67/62/1106436762.db2.gz NXYNOUFHXDBWFE-FUHWJXTLSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537419 1106436764 /nfs/dbraw/zinc/43/67/64/1106436764.db2.gz NXYNOUFHXDBWFE-FUHWJXTLSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552833 1106440871 /nfs/dbraw/zinc/44/08/71/1106440871.db2.gz DZINTWQACFYLHO-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552833 1106440874 /nfs/dbraw/zinc/44/08/74/1106440874.db2.gz DZINTWQACFYLHO-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552833 1106440878 /nfs/dbraw/zinc/44/08/78/1106440878.db2.gz DZINTWQACFYLHO-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552833 1106440880 /nfs/dbraw/zinc/44/08/80/1106440880.db2.gz DZINTWQACFYLHO-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001256566558 1106446942 /nfs/dbraw/zinc/44/69/42/1106446942.db2.gz VSQNZQLZXSTHPZ-UHFFFAOYSA-N 3 2 307.526 3.103 20 0 DGADLP Cc1ccccc1N1CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256568881 1106447832 /nfs/dbraw/zinc/44/78/32/1106447832.db2.gz JCRLTVHLXVEPOL-UHFFFAOYSA-N 2 2 315.505 3.380 20 0 DGADLP CCC1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001256873535 1106501657 /nfs/dbraw/zinc/50/16/57/1106501657.db2.gz VRWLLBMVYDNFRR-OYBTXZFASA-N 2 2 313.489 3.414 20 0 DGADLP CCC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001256873535 1106501661 /nfs/dbraw/zinc/50/16/61/1106501661.db2.gz VRWLLBMVYDNFRR-OYBTXZFASA-N 2 2 313.489 3.414 20 0 DGADLP CCC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001256873535 1106501663 /nfs/dbraw/zinc/50/16/63/1106501663.db2.gz VRWLLBMVYDNFRR-OYBTXZFASA-N 2 2 313.489 3.414 20 0 DGADLP CCC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001256873535 1106501666 /nfs/dbraw/zinc/50/16/66/1106501666.db2.gz VRWLLBMVYDNFRR-OYBTXZFASA-N 2 2 313.489 3.414 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257146494 1106544416 /nfs/dbraw/zinc/54/44/16/1106544416.db2.gz NZSUBVZIYXAUKJ-MRXNPFEDSA-N 2 2 320.477 3.116 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257146494 1106544421 /nfs/dbraw/zinc/54/44/21/1106544421.db2.gz NZSUBVZIYXAUKJ-MRXNPFEDSA-N 2 2 320.477 3.116 20 0 DGADLP COc1ncccc1[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257212017 1106552364 /nfs/dbraw/zinc/55/23/64/1106552364.db2.gz MPIAZOWZIQLJDQ-KRWDZBQOSA-N 2 2 303.450 3.004 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001257219444 1106553303 /nfs/dbraw/zinc/55/33/03/1106553303.db2.gz DKALRVQUUADJGE-MRXNPFEDSA-N 2 2 324.415 3.291 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001257219444 1106553306 /nfs/dbraw/zinc/55/33/06/1106553306.db2.gz DKALRVQUUADJGE-MRXNPFEDSA-N 2 2 324.415 3.291 20 0 DGADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC001257453790 1106592111 /nfs/dbraw/zinc/59/21/11/1106592111.db2.gz IOBLOMBDCIZKCI-OALUTQOASA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC001257453790 1106592114 /nfs/dbraw/zinc/59/21/14/1106592114.db2.gz IOBLOMBDCIZKCI-OALUTQOASA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCCCC1)[C@H]2C ZINC001257457419 1106592759 /nfs/dbraw/zinc/59/27/59/1106592759.db2.gz FQZBWERMSBKSPY-HNNXBMFYSA-N 2 2 304.482 3.433 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCCCC1)[C@H]2C ZINC001257457419 1106592761 /nfs/dbraw/zinc/59/27/61/1106592761.db2.gz FQZBWERMSBKSPY-HNNXBMFYSA-N 2 2 304.482 3.433 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCCCC1)[C@H]2C ZINC001257457419 1106592766 /nfs/dbraw/zinc/59/27/66/1106592766.db2.gz FQZBWERMSBKSPY-HNNXBMFYSA-N 2 2 304.482 3.433 20 0 DGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCSC1 ZINC001257670105 1106617584 /nfs/dbraw/zinc/61/75/84/1106617584.db2.gz COBWQYXYGMAVKM-SFHVURJKSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCSC1 ZINC001257670105 1106617587 /nfs/dbraw/zinc/61/75/87/1106617587.db2.gz COBWQYXYGMAVKM-SFHVURJKSA-N 2 2 304.503 3.478 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC001258017240 1106659507 /nfs/dbraw/zinc/65/95/07/1106659507.db2.gz XUARKYUKQVNAGR-UHFFFAOYSA-N 2 2 302.462 3.312 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC001258017240 1106659510 /nfs/dbraw/zinc/65/95/10/1106659510.db2.gz XUARKYUKQVNAGR-UHFFFAOYSA-N 2 2 302.462 3.312 20 0 DGADLP CCOC(=O)CC1CCC([N@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001258038119 1106662766 /nfs/dbraw/zinc/66/27/66/1106662766.db2.gz JFEWFRKOCXJCJY-UHFFFAOYSA-N 2 2 324.509 3.303 20 0 DGADLP CCOC(=O)CC1CCC([N@@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001258038119 1106662768 /nfs/dbraw/zinc/66/27/68/1106662768.db2.gz JFEWFRKOCXJCJY-UHFFFAOYSA-N 2 2 324.509 3.303 20 0 DGADLP C[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1F ZINC001258141007 1106680228 /nfs/dbraw/zinc/68/02/28/1106680228.db2.gz RDPFFOHAGXWMSW-VQIMIIECSA-N 2 2 304.453 3.373 20 0 DGADLP C[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1F ZINC001258141007 1106680229 /nfs/dbraw/zinc/68/02/29/1106680229.db2.gz RDPFFOHAGXWMSW-VQIMIIECSA-N 2 2 304.453 3.373 20 0 DGADLP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258182461 1106689955 /nfs/dbraw/zinc/68/99/55/1106689955.db2.gz ZWAFEJXIFGSTCW-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP C[C@H](CC1CC1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464614 1106761148 /nfs/dbraw/zinc/76/11/48/1106761148.db2.gz HGXMUQKQFWUWFY-VNQPRFMTSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464614 1106761163 /nfs/dbraw/zinc/76/11/63/1106761163.db2.gz HGXMUQKQFWUWFY-VNQPRFMTSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258464614 1106761176 /nfs/dbraw/zinc/76/11/76/1106761176.db2.gz HGXMUQKQFWUWFY-VNQPRFMTSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258464614 1106761190 /nfs/dbraw/zinc/76/11/90/1106761190.db2.gz HGXMUQKQFWUWFY-VNQPRFMTSA-N 2 2 305.491 3.228 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258599436 1106839186 /nfs/dbraw/zinc/83/91/86/1106839186.db2.gz AVQQFVMNXIZVMA-CEXWTWQISA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258599436 1106839195 /nfs/dbraw/zinc/83/91/95/1106839195.db2.gz AVQQFVMNXIZVMA-CEXWTWQISA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC001258599437 1106839501 /nfs/dbraw/zinc/83/95/01/1106839501.db2.gz AVQQFVMNXIZVMA-GBESFXJTSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC001258599437 1106839510 /nfs/dbraw/zinc/83/95/10/1106839510.db2.gz AVQQFVMNXIZVMA-GBESFXJTSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604078 1106843631 /nfs/dbraw/zinc/84/36/31/1106843631.db2.gz VONVLXHEJXYHOM-QYZOEREBSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604078 1106843640 /nfs/dbraw/zinc/84/36/40/1106843640.db2.gz VONVLXHEJXYHOM-QYZOEREBSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604078 1106843651 /nfs/dbraw/zinc/84/36/51/1106843651.db2.gz VONVLXHEJXYHOM-QYZOEREBSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604078 1106843663 /nfs/dbraw/zinc/84/36/63/1106843663.db2.gz VONVLXHEJXYHOM-QYZOEREBSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H](Cc1cccnc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619449 1106856777 /nfs/dbraw/zinc/85/67/77/1106856777.db2.gz PYZHOYZGHCSBDW-KBAYOESNSA-N 2 2 310.445 3.184 20 0 DGADLP Cc1cc(N2CC[NH+]([C@H]3C[C@H](C)CC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001258700744 1106915686 /nfs/dbraw/zinc/91/56/86/1106915686.db2.gz OMQKPEWQINEXIF-YOEHRIQHSA-N 2 2 316.493 3.430 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001258777440 1106971750 /nfs/dbraw/zinc/97/17/50/1106971750.db2.gz WDCNBWLUFNBDIN-KRWDZBQOSA-N 2 2 300.446 3.066 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001258777440 1106971762 /nfs/dbraw/zinc/97/17/62/1106971762.db2.gz WDCNBWLUFNBDIN-KRWDZBQOSA-N 2 2 300.446 3.066 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258884813 1107037209 /nfs/dbraw/zinc/03/72/09/1107037209.db2.gz QHAMVIWZKIWFBY-DNVCBOLYSA-N 2 2 310.441 3.012 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258884813 1107037224 /nfs/dbraw/zinc/03/72/24/1107037224.db2.gz QHAMVIWZKIWFBY-DNVCBOLYSA-N 2 2 310.441 3.012 20 0 DGADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@H]3C[C@@H]4COC[C@@H]43)C2)cc1 ZINC001474662957 1107255195 /nfs/dbraw/zinc/25/51/95/1107255195.db2.gz CQWIIZZIWHVNQX-FYQPLNBISA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@H]3C[C@@H]4COC[C@@H]43)C2)cc1 ZINC001474662957 1107255203 /nfs/dbraw/zinc/25/52/03/1107255203.db2.gz CQWIIZZIWHVNQX-FYQPLNBISA-N 2 2 314.473 3.056 20 0 DGADLP CO[C@@H]1CC[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508539 1107456274 /nfs/dbraw/zinc/45/62/74/1107456274.db2.gz NOYFDRQOEUXBSK-KZNAEPCWSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508539 1107456278 /nfs/dbraw/zinc/45/62/78/1107456278.db2.gz NOYFDRQOEUXBSK-KZNAEPCWSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc(F)n2)[nH+]1 ZINC001261637793 1107488135 /nfs/dbraw/zinc/48/81/35/1107488135.db2.gz GONCWRFJVWFPNN-HNNXBMFYSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc(F)n2)[nH+]1 ZINC001261637793 1107488142 /nfs/dbraw/zinc/48/81/42/1107488142.db2.gz GONCWRFJVWFPNN-HNNXBMFYSA-N 2 2 300.381 3.001 20 0 DGADLP S=c1ccn(C[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)c2ccccc12 ZINC001318433324 1108002419 /nfs/dbraw/zinc/00/24/19/1108002419.db2.gz JTWSMEVDVKOYGM-OAHLLOKOSA-N 2 2 313.470 3.498 20 0 DGADLP S=c1ccn(C[N@H+]2CCC[NH+]3CCC[C@@H]3C2)c2ccccc12 ZINC001318433324 1108002434 /nfs/dbraw/zinc/00/24/34/1108002434.db2.gz JTWSMEVDVKOYGM-OAHLLOKOSA-N 2 2 313.470 3.498 20 0 DGADLP S=c1ccn(C[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC001318433324 1108002451 /nfs/dbraw/zinc/00/24/51/1108002451.db2.gz JTWSMEVDVKOYGM-OAHLLOKOSA-N 2 2 313.470 3.498 20 0 DGADLP S=c1ccn(C[NH+]2CCC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC001318433324 1108002465 /nfs/dbraw/zinc/00/24/65/1108002465.db2.gz JTWSMEVDVKOYGM-OAHLLOKOSA-N 2 2 313.470 3.498 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)c1ccccc1 ZINC001323756301 1108074885 /nfs/dbraw/zinc/07/48/85/1108074885.db2.gz PEJLBLODUUOMCB-ZDUSSCGKSA-N 2 2 306.369 3.318 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001323758550 1108076691 /nfs/dbraw/zinc/07/66/91/1108076691.db2.gz CSKQLPPPWUJFSF-UHFFFAOYSA-N 2 2 306.841 3.125 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001323758550 1108076707 /nfs/dbraw/zinc/07/67/07/1108076707.db2.gz CSKQLPPPWUJFSF-UHFFFAOYSA-N 2 2 306.841 3.125 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)c1ccccc1F ZINC001318604994 1108121229 /nfs/dbraw/zinc/12/12/29/1108121229.db2.gz ROFLGCOGCAGQTO-LBPRGKRZSA-N 2 2 324.359 3.457 20 0 DGADLP CNc1ncccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382857884 1108166334 /nfs/dbraw/zinc/16/63/34/1108166334.db2.gz UZPDKFMCLZEWKQ-SFHVURJKSA-N 2 2 324.472 3.077 20 0 DGADLP CNc1ncccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382857884 1108166338 /nfs/dbraw/zinc/16/63/38/1108166338.db2.gz UZPDKFMCLZEWKQ-SFHVURJKSA-N 2 2 324.472 3.077 20 0 DGADLP CNc1ncccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382857884 1108166341 /nfs/dbraw/zinc/16/63/41/1108166341.db2.gz UZPDKFMCLZEWKQ-SFHVURJKSA-N 2 2 324.472 3.077 20 0 DGADLP CNc1ncccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382857884 1108166347 /nfs/dbraw/zinc/16/63/47/1108166347.db2.gz UZPDKFMCLZEWKQ-SFHVURJKSA-N 2 2 324.472 3.077 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC001324358336 1108264188 /nfs/dbraw/zinc/26/41/88/1108264188.db2.gz PLPNOVZRMRKXRC-CQSZACIVSA-N 2 2 322.412 3.133 20 0 DGADLP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n[nH]1 ZINC001319716047 1108607853 /nfs/dbraw/zinc/60/78/53/1108607853.db2.gz SJHWTPTUNDCQCL-INIZCTEOSA-N 2 2 304.482 3.195 20 0 DGADLP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n[nH]1 ZINC001319716047 1108607858 /nfs/dbraw/zinc/60/78/58/1108607858.db2.gz SJHWTPTUNDCQCL-INIZCTEOSA-N 2 2 304.482 3.195 20 0 DGADLP CC(C)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CCC(C)(C)C ZINC001319948113 1108708501 /nfs/dbraw/zinc/70/85/01/1108708501.db2.gz SUQBDFZOGPRFMZ-HZPDHXFCSA-N 2 2 322.497 3.001 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948247 1108708879 /nfs/dbraw/zinc/70/88/79/1108708879.db2.gz LJYWXMWWFBDHEA-FUHWJXTLSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948247 1108708888 /nfs/dbraw/zinc/70/88/88/1108708888.db2.gz LJYWXMWWFBDHEA-FUHWJXTLSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948247 1108708895 /nfs/dbraw/zinc/70/88/95/1108708895.db2.gz LJYWXMWWFBDHEA-FUHWJXTLSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948247 1108708899 /nfs/dbraw/zinc/70/88/99/1108708899.db2.gz LJYWXMWWFBDHEA-FUHWJXTLSA-N 2 2 301.478 3.201 20 0 DGADLP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H](C)F ZINC001265124806 1108742280 /nfs/dbraw/zinc/74/22/80/1108742280.db2.gz RWDMFMWCZCNTBE-CQSZACIVSA-N 2 2 323.456 3.197 20 0 DGADLP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H](C)F ZINC001265124806 1108742290 /nfs/dbraw/zinc/74/22/90/1108742290.db2.gz RWDMFMWCZCNTBE-CQSZACIVSA-N 2 2 323.456 3.197 20 0 DGADLP CCCC[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001283449429 1109636358 /nfs/dbraw/zinc/63/63/58/1109636358.db2.gz IFQBISBNBUQBNY-OAHLLOKOSA-N 2 2 316.449 3.097 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547109 1111313449 /nfs/dbraw/zinc/31/34/49/1111313449.db2.gz PZLMBSKBPGMHCK-JKSUJKDBSA-N 2 2 303.450 3.186 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547109 1111313451 /nfs/dbraw/zinc/31/34/51/1111313451.db2.gz PZLMBSKBPGMHCK-JKSUJKDBSA-N 2 2 303.450 3.186 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1 ZINC001307593036 1111317180 /nfs/dbraw/zinc/31/71/80/1111317180.db2.gz UPJTXVKECWDTRA-GOSISDBHSA-N 2 2 322.468 3.273 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1 ZINC001307593036 1111317184 /nfs/dbraw/zinc/31/71/84/1111317184.db2.gz UPJTXVKECWDTRA-GOSISDBHSA-N 2 2 322.468 3.273 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC001307593036 1111317188 /nfs/dbraw/zinc/31/71/88/1111317188.db2.gz UPJTXVKECWDTRA-GOSISDBHSA-N 2 2 322.468 3.273 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC001307593036 1111317193 /nfs/dbraw/zinc/31/71/93/1111317193.db2.gz UPJTXVKECWDTRA-GOSISDBHSA-N 2 2 322.468 3.273 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001307834055 1111344327 /nfs/dbraw/zinc/34/43/27/1111344327.db2.gz BUUYZBBRMWYIJX-ZWKOTPCHSA-N 2 2 311.429 3.038 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001307834055 1111344332 /nfs/dbraw/zinc/34/43/32/1111344332.db2.gz BUUYZBBRMWYIJX-ZWKOTPCHSA-N 2 2 311.429 3.038 20 0 DGADLP Cc1conc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308166929 1111389446 /nfs/dbraw/zinc/38/94/46/1111389446.db2.gz ZMWIGDFUMUCDQW-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1conc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308166929 1111389450 /nfs/dbraw/zinc/38/94/50/1111389450.db2.gz ZMWIGDFUMUCDQW-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001308189505 1111393674 /nfs/dbraw/zinc/39/36/74/1111393674.db2.gz ZCIJKEFOPLWIGG-GASCZTMLSA-N 2 2 310.507 3.290 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001308189505 1111393677 /nfs/dbraw/zinc/39/36/77/1111393677.db2.gz ZCIJKEFOPLWIGG-GASCZTMLSA-N 2 2 310.507 3.290 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCCC[C@H]1C ZINC001308202107 1111396639 /nfs/dbraw/zinc/39/66/39/1111396639.db2.gz FORCCCJOGBLZEI-HUUCEWRRSA-N 2 2 318.490 3.286 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCCOC3CCCC3)c2)c[nH+]1 ZINC001308231501 1111401375 /nfs/dbraw/zinc/40/13/75/1111401375.db2.gz XWGPORJHYWOJAY-UHFFFAOYSA-N 2 2 305.447 3.373 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001308298169 1111412891 /nfs/dbraw/zinc/41/28/91/1111412891.db2.gz OISQOSZLKWZLJU-UHFFFAOYSA-N 2 2 321.428 3.372 20 0 DGADLP C[N@@H+]1Cc2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2C1 ZINC001308320764 1111416220 /nfs/dbraw/zinc/41/62/20/1111416220.db2.gz ZRAAOPWGJBJUOF-UHFFFAOYSA-N 2 2 310.426 3.491 20 0 DGADLP C[N@H+]1Cc2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2C1 ZINC001308320764 1111416222 /nfs/dbraw/zinc/41/62/22/1111416222.db2.gz ZRAAOPWGJBJUOF-UHFFFAOYSA-N 2 2 310.426 3.491 20 0 DGADLP Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001308358992 1111420985 /nfs/dbraw/zinc/42/09/85/1111420985.db2.gz AGZOPHDFCGCSFT-AWEZNQCLSA-N 2 2 308.385 3.132 20 0 DGADLP C[C@@H](O)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001308477821 1111432683 /nfs/dbraw/zinc/43/26/83/1111432683.db2.gz NJDVNFMYHWCPSU-CXAGYDPISA-N 2 2 313.426 3.146 20 0 DGADLP CO[C@@](C)(C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC001308714596 1111465349 /nfs/dbraw/zinc/46/53/49/1111465349.db2.gz CXKVRMLCUNHPFQ-SFHVURJKSA-N 2 2 308.510 3.437 20 0 DGADLP CC[C@H](C)[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC001308744197 1111469449 /nfs/dbraw/zinc/46/94/49/1111469449.db2.gz FAMCCTYAUMDDON-WMZOPIPTSA-N 2 2 307.482 3.436 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(C)c(Br)c2)CC[C@H]1[NH3+] ZINC000252982156 546332427 /nfs/dbraw/zinc/33/24/27/546332427.db2.gz UZITZDYGYWREPU-DZGCQCFKSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(C)c(Br)c2)CC[C@H]1[NH3+] ZINC000252982156 546332433 /nfs/dbraw/zinc/33/24/33/546332433.db2.gz UZITZDYGYWREPU-DZGCQCFKSA-N 2 2 311.267 3.317 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000076898809 185052519 /nfs/dbraw/zinc/05/25/19/185052519.db2.gz LLYHYNZNCNECGE-GFCCVEGCSA-N 2 2 317.260 3.194 20 0 DGADLP COc1ccc([C@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278389347 214136863 /nfs/dbraw/zinc/13/68/63/214136863.db2.gz MKDVCJWFMILTER-QAPCUYQASA-N 2 2 320.502 3.175 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000278566079 214241581 /nfs/dbraw/zinc/24/15/81/214241581.db2.gz IWKRTJWKFRBXIE-UHFFFAOYSA-N 2 2 317.820 3.482 20 0 DGADLP Clc1cnc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309639836 231101378 /nfs/dbraw/zinc/10/13/78/231101378.db2.gz BLMWRUXZDPTAQC-CQSZACIVSA-N 2 2 321.877 3.408 20 0 DGADLP Clc1cnc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309639836 231101381 /nfs/dbraw/zinc/10/13/81/231101381.db2.gz BLMWRUXZDPTAQC-CQSZACIVSA-N 2 2 321.877 3.408 20 0 DGADLP COCc1cccc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000309891466 231106243 /nfs/dbraw/zinc/10/62/43/231106243.db2.gz MLXZUPFKZAZQJO-KRWDZBQOSA-N 2 2 312.457 3.443 20 0 DGADLP COCc1cccc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000309891466 231106247 /nfs/dbraw/zinc/10/62/47/231106247.db2.gz MLXZUPFKZAZQJO-KRWDZBQOSA-N 2 2 312.457 3.443 20 0 DGADLP Cc1nc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000310009574 231109728 /nfs/dbraw/zinc/10/97/28/231109728.db2.gz JPLLHSHEVRSXAS-GOSISDBHSA-N 2 2 310.445 3.499 20 0 DGADLP Cc1nc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000310009574 231109730 /nfs/dbraw/zinc/10/97/30/231109730.db2.gz JPLLHSHEVRSXAS-GOSISDBHSA-N 2 2 310.445 3.499 20 0 DGADLP C[C@@H](O)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000278779009 214396231 /nfs/dbraw/zinc/39/62/31/214396231.db2.gz LMZICGHBJBDQCC-CQSZACIVSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@@H](C[NH2+]Cc1csc(-c2cccs2)n1)Cn1cc[nH+]c1 ZINC000103170573 432004808 /nfs/dbraw/zinc/00/48/08/432004808.db2.gz GKKNPIPMBIRUGP-LBPRGKRZSA-N 2 2 318.471 3.494 20 0 DGADLP CCc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C)[nH+]1 ZINC000302073357 529532900 /nfs/dbraw/zinc/53/29/00/529532900.db2.gz ZWJGJMIMNGARRS-QGZVFWFLSA-N 2 2 316.493 3.440 20 0 DGADLP CCc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)nc(C)[nH+]1 ZINC000302102423 529558367 /nfs/dbraw/zinc/55/83/67/529558367.db2.gz QJICYXXFFZFBPC-UHFFFAOYSA-N 2 2 302.397 3.160 20 0 DGADLP CCc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)cs2)cc1 ZINC000430637802 529576838 /nfs/dbraw/zinc/57/68/38/529576838.db2.gz MESUEEHXLGLNOU-UHFFFAOYSA-N 2 2 301.459 3.296 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C)[C@@H]1CCOC1 ZINC000443202108 529666270 /nfs/dbraw/zinc/66/62/70/529666270.db2.gz IYTYOBDPFFKURA-ZAWLATJESA-N 2 2 304.478 3.391 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000090048546 185279695 /nfs/dbraw/zinc/27/96/95/185279695.db2.gz CPXXBRVLIITRDK-ZDUSSCGKSA-N 2 2 311.495 3.028 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n[nH]1 ZINC000090530644 185300698 /nfs/dbraw/zinc/30/06/98/185300698.db2.gz CSRHDSQFPKBPRR-ZFWWWQNUSA-N 2 2 323.444 3.494 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[nH]n1 ZINC000090530961 185301114 /nfs/dbraw/zinc/30/11/14/185301114.db2.gz INKLABCWRCXJKS-UKRRQHHQSA-N 2 2 309.417 3.186 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000090530961 185301115 /nfs/dbraw/zinc/30/11/15/185301115.db2.gz INKLABCWRCXJKS-UKRRQHHQSA-N 2 2 309.417 3.186 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000092587793 185327735 /nfs/dbraw/zinc/32/77/35/185327735.db2.gz BURDRAMTGNAPLS-SFHVURJKSA-N 2 2 302.462 3.336 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CC1 ZINC000092587793 185327736 /nfs/dbraw/zinc/32/77/36/185327736.db2.gz BURDRAMTGNAPLS-SFHVURJKSA-N 2 2 302.462 3.336 20 0 DGADLP C[C@H]1CCc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)sc2C1 ZINC000092648677 185331548 /nfs/dbraw/zinc/33/15/48/185331548.db2.gz MMMUJGDJIWEZNE-ZDUSSCGKSA-N 2 2 316.474 3.302 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)n1C ZINC000419694239 529810415 /nfs/dbraw/zinc/81/04/15/529810415.db2.gz JXYBZSGPFSKBSW-IAGOWNOFSA-N 2 2 312.461 3.302 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430944922 529955934 /nfs/dbraw/zinc/95/59/34/529955934.db2.gz ORDNCSCWLRPIDT-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[N@H+](Cc1csc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435447658 530019175 /nfs/dbraw/zinc/01/91/75/530019175.db2.gz QLJLLWNYCCPMBR-CYBMUJFWSA-N 2 2 307.488 3.446 20 0 DGADLP C[N@@H+](Cc1csc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435447658 530019176 /nfs/dbraw/zinc/01/91/76/530019176.db2.gz QLJLLWNYCCPMBR-CYBMUJFWSA-N 2 2 307.488 3.446 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cn1 ZINC000279673899 215051739 /nfs/dbraw/zinc/05/17/39/215051739.db2.gz IBQLEPDPCAPQRA-IACUBPJLSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cn1 ZINC000279673899 215051741 /nfs/dbraw/zinc/05/17/41/215051741.db2.gz IBQLEPDPCAPQRA-IACUBPJLSA-N 2 2 324.266 3.122 20 0 DGADLP COC(=O)[C@H](c1ccsc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000279707034 215079694 /nfs/dbraw/zinc/07/96/94/215079694.db2.gz JVXBYMVLDFZSHC-INIZCTEOSA-N 2 2 324.490 3.016 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCC(F)(F)CC1 ZINC000287077274 219299296 /nfs/dbraw/zinc/29/92/96/219299296.db2.gz WDKJOHXVFNGERA-UHFFFAOYSA-N 2 2 306.360 3.277 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCC(F)(F)CC1 ZINC000287077274 219299298 /nfs/dbraw/zinc/29/92/98/219299298.db2.gz WDKJOHXVFNGERA-UHFFFAOYSA-N 2 2 306.360 3.277 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152433072 186072670 /nfs/dbraw/zinc/07/26/70/186072670.db2.gz CQIBVCCSSVICNV-DOTOQJQBSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152433072 186072672 /nfs/dbraw/zinc/07/26/72/186072672.db2.gz CQIBVCCSSVICNV-DOTOQJQBSA-N 3 2 324.472 3.316 20 0 DGADLP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2)s1)Cn1cc[nH+]c1 ZINC000066990494 432025087 /nfs/dbraw/zinc/02/50/87/432025087.db2.gz OAMZRPKQPZRRHM-CQSZACIVSA-N 2 2 312.442 3.433 20 0 DGADLP C[C@H](CC1CC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838293 186261962 /nfs/dbraw/zinc/26/19/62/186261962.db2.gz WOGDPYOWUNABNR-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](CC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838293 186261963 /nfs/dbraw/zinc/26/19/63/186261963.db2.gz WOGDPYOWUNABNR-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749421 186377419 /nfs/dbraw/zinc/37/74/19/186377419.db2.gz UBVJJARZFAWXQI-MJGOQNOKSA-N 3 2 317.521 3.074 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749421 186377421 /nfs/dbraw/zinc/37/74/21/186377421.db2.gz UBVJJARZFAWXQI-MJGOQNOKSA-N 3 2 317.521 3.074 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000268763160 186382858 /nfs/dbraw/zinc/38/28/58/186382858.db2.gz IGEGPWDLNKDAKU-YESZJQIVSA-N 2 2 316.445 3.125 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000268763160 186382859 /nfs/dbraw/zinc/38/28/59/186382859.db2.gz IGEGPWDLNKDAKU-YESZJQIVSA-N 2 2 316.445 3.125 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)cc2)C1 ZINC000072857737 191240807 /nfs/dbraw/zinc/24/08/07/191240807.db2.gz RYCCGTDNQVCDLQ-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)cc2)C1 ZINC000072857737 191240810 /nfs/dbraw/zinc/24/08/10/191240810.db2.gz RYCCGTDNQVCDLQ-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000072857737 191240813 /nfs/dbraw/zinc/24/08/13/191240813.db2.gz RYCCGTDNQVCDLQ-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000072857737 191240816 /nfs/dbraw/zinc/24/08/16/191240816.db2.gz RYCCGTDNQVCDLQ-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@H](C)C1 ZINC000173363157 198207261 /nfs/dbraw/zinc/20/72/61/198207261.db2.gz FAGNUHIPZCZXTO-TZMCWYRMSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@H](C)C1 ZINC000173363157 198207263 /nfs/dbraw/zinc/20/72/63/198207263.db2.gz FAGNUHIPZCZXTO-TZMCWYRMSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+](CCc1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971772 198275470 /nfs/dbraw/zinc/27/54/70/198275470.db2.gz NFAAQRMLHAZTMR-UHFFFAOYSA-N 2 2 324.472 3.258 20 0 DGADLP CC[N@@H+](CCc1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971772 198275472 /nfs/dbraw/zinc/27/54/72/198275472.db2.gz NFAAQRMLHAZTMR-UHFFFAOYSA-N 2 2 324.472 3.258 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174517434 198344680 /nfs/dbraw/zinc/34/46/80/198344680.db2.gz JSOPRPVNGORROI-PBHICJAKSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174517434 198344681 /nfs/dbraw/zinc/34/46/81/198344681.db2.gz JSOPRPVNGORROI-PBHICJAKSA-N 2 2 312.461 3.061 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)Cn1cc[nH+]c1 ZINC000067695347 432035967 /nfs/dbraw/zinc/03/59/67/432035967.db2.gz IHKITTYYJWTFIC-AWEZNQCLSA-N 2 2 312.442 3.433 20 0 DGADLP COC(=O)CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422955405 291051780 /nfs/dbraw/zinc/05/17/80/291051780.db2.gz JENHJSYKOFNNHN-QYZOEREBSA-N 2 2 324.424 3.415 20 0 DGADLP COC(=O)CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422955403 291051852 /nfs/dbraw/zinc/05/18/52/291051852.db2.gz JENHJSYKOFNNHN-FHWLQOOXSA-N 2 2 324.424 3.415 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)o2)cs1 ZINC000164408219 432047917 /nfs/dbraw/zinc/04/79/17/432047917.db2.gz PODWMYUOCADOQH-YPMHNXCESA-N 2 2 305.447 3.284 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)o2)cs1 ZINC000164408219 432047914 /nfs/dbraw/zinc/04/79/14/432047914.db2.gz PODWMYUOCADOQH-YPMHNXCESA-N 2 2 305.447 3.284 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000165384757 432055191 /nfs/dbraw/zinc/05/51/91/432055191.db2.gz GLDKLPKLRHGEJY-QFBILLFUSA-N 2 2 320.452 3.195 20 0 DGADLP Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179422671 432057407 /nfs/dbraw/zinc/05/74/07/432057407.db2.gz RQYDQLRDQPVRJT-UHFFFAOYSA-N 2 2 304.397 3.456 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000081569357 192293112 /nfs/dbraw/zinc/29/31/12/192293112.db2.gz IJBBPYBEQRLPCI-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000081569357 192293114 /nfs/dbraw/zinc/29/31/14/192293114.db2.gz IJBBPYBEQRLPCI-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000081569357 192293115 /nfs/dbraw/zinc/29/31/15/192293115.db2.gz IJBBPYBEQRLPCI-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000081569357 192293117 /nfs/dbraw/zinc/29/31/17/192293117.db2.gz IJBBPYBEQRLPCI-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000166090695 432059038 /nfs/dbraw/zinc/05/90/38/432059038.db2.gz ZKICPMIYUOODGN-IEBWSBKVSA-N 2 2 302.462 3.230 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2[nH+]1 ZINC000236944364 202084963 /nfs/dbraw/zinc/08/49/63/202084963.db2.gz KFQNKRWNXQFFMQ-UHFFFAOYSA-N 2 2 314.433 3.234 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395849 432061222 /nfs/dbraw/zinc/06/12/22/432061222.db2.gz JCFDWRDAYQBYBE-GJYPPUQNSA-N 2 2 312.461 3.065 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395849 432061225 /nfs/dbraw/zinc/06/12/25/432061225.db2.gz JCFDWRDAYQBYBE-GJYPPUQNSA-N 2 2 312.461 3.065 20 0 DGADLP C[NH+](C)Cc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237075160 202144933 /nfs/dbraw/zinc/14/49/33/202144933.db2.gz MQEMUKFKETYZBB-UHFFFAOYSA-N 2 2 310.445 3.224 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000167858368 432066928 /nfs/dbraw/zinc/06/69/28/432066928.db2.gz PKMQKLOPNZQMCQ-RYRKJORJSA-N 3 2 303.494 3.046 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167858368 432066930 /nfs/dbraw/zinc/06/69/30/432066930.db2.gz PKMQKLOPNZQMCQ-RYRKJORJSA-N 3 2 303.494 3.046 20 0 DGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CCOC1 ZINC000179841799 432072076 /nfs/dbraw/zinc/07/20/76/432072076.db2.gz AEERTFSSZMRKCY-HOTGVXAUSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000276766498 213094788 /nfs/dbraw/zinc/09/47/88/213094788.db2.gz NXAHDKVLWYYGGY-UHFFFAOYSA-N 2 2 318.509 3.231 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000276766498 213094790 /nfs/dbraw/zinc/09/47/90/213094790.db2.gz NXAHDKVLWYYGGY-UHFFFAOYSA-N 2 2 318.509 3.231 20 0 DGADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000179992445 199104109 /nfs/dbraw/zinc/10/41/09/199104109.db2.gz BYAANMVMVDMNPM-JKSUJKDBSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237328779 202232732 /nfs/dbraw/zinc/23/27/32/202232732.db2.gz CZUBNYKEYREZDR-HNNXBMFYSA-N 2 2 313.420 3.410 20 0 DGADLP CC(C)(C)Oc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cn1 ZINC000180889476 199224446 /nfs/dbraw/zinc/22/44/46/199224446.db2.gz SVUXMAXNZCEZNP-UHFFFAOYSA-N 2 2 310.401 3.196 20 0 DGADLP COC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000180189779 432081376 /nfs/dbraw/zinc/08/13/76/432081376.db2.gz OHNUMZJVMILEEY-UHFFFAOYSA-N 2 2 322.880 3.463 20 0 DGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000415058320 237042372 /nfs/dbraw/zinc/04/23/72/237042372.db2.gz VKFOGFLUUKSYMU-LEWJYISDSA-N 2 2 322.452 3.321 20 0 DGADLP Clc1ccc(CN2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415069011 237049021 /nfs/dbraw/zinc/04/90/21/237049021.db2.gz OCVYRMVDUYTADP-GOSISDBHSA-N 2 2 321.896 3.036 20 0 DGADLP Cc1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(C)[nH+]1 ZINC000415288550 237167089 /nfs/dbraw/zinc/16/70/89/237167089.db2.gz XFIHFLQADGKGPD-KRWDZBQOSA-N 2 2 312.417 3.300 20 0 DGADLP C[C@H](SCCn1cc[nH+]c1)[C@H](C)SCCn1cc[nH+]c1 ZINC000188195381 200207161 /nfs/dbraw/zinc/20/71/61/200207161.db2.gz UZUSZKFUJWPZEO-KBPBESRZSA-N 2 2 310.492 3.023 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)CC3 ZINC000180469505 432086998 /nfs/dbraw/zinc/08/69/98/432086998.db2.gz HDHHHSKIBSSVGJ-LSDHHAIUSA-N 2 2 311.473 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)CC3 ZINC000180469505 432086999 /nfs/dbraw/zinc/08/69/99/432086999.db2.gz HDHHHSKIBSSVGJ-LSDHHAIUSA-N 2 2 311.473 3.406 20 0 DGADLP CC(C)OCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180457262 432087213 /nfs/dbraw/zinc/08/72/13/432087213.db2.gz KOKUVSACCCZIBU-HKUYNNGSSA-N 2 2 319.493 3.087 20 0 DGADLP CC(C)OCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000180457262 432087214 /nfs/dbraw/zinc/08/72/14/432087214.db2.gz KOKUVSACCCZIBU-HKUYNNGSSA-N 2 2 319.493 3.087 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422639435 237789146 /nfs/dbraw/zinc/78/91/46/237789146.db2.gz STTYZJXSKQPJHY-UHFFFAOYSA-N 2 2 309.413 3.202 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422727559 237791711 /nfs/dbraw/zinc/79/17/11/237791711.db2.gz CZCAJKVXWHMSSJ-GXTWGEPZSA-N 2 2 316.367 3.248 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1C ZINC000281208843 216154325 /nfs/dbraw/zinc/15/43/25/216154325.db2.gz CZCUEHAMEGYMJO-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC000281208843 216154327 /nfs/dbraw/zinc/15/43/27/216154327.db2.gz CZCUEHAMEGYMJO-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427882876 238004654 /nfs/dbraw/zinc/00/46/54/238004654.db2.gz CIGPXGGHTDNLPH-AAEUAGOBSA-N 2 2 307.344 3.150 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000427889940 238004798 /nfs/dbraw/zinc/00/47/98/238004798.db2.gz IAPHFJLXQBWQIW-FUHWJXTLSA-N 2 2 323.440 3.190 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000427889944 238004864 /nfs/dbraw/zinc/00/48/64/238004864.db2.gz IAPHFJLXQBWQIW-WMZOPIPTSA-N 2 2 323.440 3.190 20 0 DGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906543 432089535 /nfs/dbraw/zinc/08/95/35/432089535.db2.gz URYHPRQXEDUUFI-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906543 432089537 /nfs/dbraw/zinc/08/95/37/432089537.db2.gz URYHPRQXEDUUFI-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134906543 432089539 /nfs/dbraw/zinc/08/95/39/432089539.db2.gz URYHPRQXEDUUFI-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134906543 432089540 /nfs/dbraw/zinc/08/95/40/432089540.db2.gz URYHPRQXEDUUFI-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428048502 238007522 /nfs/dbraw/zinc/00/75/22/238007522.db2.gz JDVUDMLHWVSYKF-SMDDNHRTSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428048502 238007523 /nfs/dbraw/zinc/00/75/23/238007523.db2.gz JDVUDMLHWVSYKF-SMDDNHRTSA-N 2 2 315.244 3.056 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)Cn1cc[nH+]c1 ZINC000428858592 238032824 /nfs/dbraw/zinc/03/28/24/238032824.db2.gz XDKOTDLXNOPJKP-JTQLQIEISA-N 2 2 303.353 3.389 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428863993 238033358 /nfs/dbraw/zinc/03/33/58/238033358.db2.gz ABJVXMNKMKBRPC-STQMWFEESA-N 2 2 307.438 3.398 20 0 DGADLP Fc1ccc2nc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)sc2c1 ZINC000428879578 238033701 /nfs/dbraw/zinc/03/37/01/238033701.db2.gz HMWDTKFNUKQIOV-LLVKDONJSA-N 2 2 305.422 3.009 20 0 DGADLP Fc1ccc2nc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)sc2c1 ZINC000428879578 238033702 /nfs/dbraw/zinc/03/37/02/238033702.db2.gz HMWDTKFNUKQIOV-LLVKDONJSA-N 2 2 305.422 3.009 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428876920 238033797 /nfs/dbraw/zinc/03/37/97/238033797.db2.gz QGWBXQDDKFJJAZ-UHFFFAOYSA-N 2 2 301.390 3.471 20 0 DGADLP C[C@H]([N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691121 238057550 /nfs/dbraw/zinc/05/75/50/238057550.db2.gz VIWVKYUOXZIUOO-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]([N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691121 238057551 /nfs/dbraw/zinc/05/75/51/238057551.db2.gz VIWVKYUOXZIUOO-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]([NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691121 238057553 /nfs/dbraw/zinc/05/75/53/238057553.db2.gz VIWVKYUOXZIUOO-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]([NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691121 238057554 /nfs/dbraw/zinc/05/75/54/238057554.db2.gz VIWVKYUOXZIUOO-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1C ZINC000431090894 238093841 /nfs/dbraw/zinc/09/38/41/238093841.db2.gz MTYXHUPQYDEKNO-HNNXBMFYSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1C ZINC000431090894 238093842 /nfs/dbraw/zinc/09/38/42/238093842.db2.gz MTYXHUPQYDEKNO-HNNXBMFYSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000430550731 238079461 /nfs/dbraw/zinc/07/94/61/238079461.db2.gz ZODCJLDFPIFJEF-KKUMJFAQSA-N 2 2 314.433 3.165 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000430550731 238079462 /nfs/dbraw/zinc/07/94/62/238079462.db2.gz ZODCJLDFPIFJEF-KKUMJFAQSA-N 2 2 314.433 3.165 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1csc(-c2ccccc2F)n1)C1CC1 ZINC000430577598 238079936 /nfs/dbraw/zinc/07/99/36/238079936.db2.gz CPHCWVVRBIPPDF-MRXNPFEDSA-N 2 2 305.422 3.166 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1ccc(Cl)cc1Br)C1CC1 ZINC000430579990 238081047 /nfs/dbraw/zinc/08/10/47/238081047.db2.gz GZMVCBYLURKMCW-ZDUSSCGKSA-N 2 2 317.658 3.320 20 0 DGADLP Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc[nH+]1 ZINC000431508078 238104372 /nfs/dbraw/zinc/10/43/72/238104372.db2.gz PYQITKOYWIBJMH-UHFFFAOYSA-N 2 2 322.456 3.278 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433496025 238159660 /nfs/dbraw/zinc/15/96/60/238159660.db2.gz CUFPUVHTWMDMDG-QGZVFWFLSA-N 2 2 320.440 3.315 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433496025 238159662 /nfs/dbraw/zinc/15/96/62/238159662.db2.gz CUFPUVHTWMDMDG-QGZVFWFLSA-N 2 2 320.440 3.315 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449686647 240368768 /nfs/dbraw/zinc/36/87/68/240368768.db2.gz XQKQWEALGIJZGX-AOIWGVFYSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449686647 240368774 /nfs/dbraw/zinc/36/87/74/240368774.db2.gz XQKQWEALGIJZGX-AOIWGVFYSA-N 2 2 302.462 3.228 20 0 DGADLP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000281344686 216238079 /nfs/dbraw/zinc/23/80/79/216238079.db2.gz SXQLPMGZCKQFBA-IBGZPJMESA-N 2 2 321.428 3.333 20 0 DGADLP Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000281344686 216238081 /nfs/dbraw/zinc/23/80/81/216238081.db2.gz SXQLPMGZCKQFBA-IBGZPJMESA-N 2 2 321.428 3.333 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000292778040 223241714 /nfs/dbraw/zinc/24/17/14/223241714.db2.gz KHIFUNZNSJABKD-HKUYNNGSSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000292778040 223241718 /nfs/dbraw/zinc/24/17/18/223241718.db2.gz KHIFUNZNSJABKD-HKUYNNGSSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000292778040 223241720 /nfs/dbraw/zinc/24/17/20/223241720.db2.gz KHIFUNZNSJABKD-HKUYNNGSSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000292778040 223241723 /nfs/dbraw/zinc/24/17/23/223241723.db2.gz KHIFUNZNSJABKD-HKUYNNGSSA-N 2 2 301.478 3.430 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000271877982 209289282 /nfs/dbraw/zinc/28/92/82/209289282.db2.gz OPVNJZUTXKTTCY-SWLSCSKDSA-N 2 2 322.836 3.194 20 0 DGADLP C[N@H+](C[C@H]1CCC=CO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193883488 201138589 /nfs/dbraw/zinc/13/85/89/201138589.db2.gz YNDBEAZAHPVLNB-LJQANCHMSA-N 2 2 300.446 3.276 20 0 DGADLP C[N@@H+](C[C@H]1CCC=CO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193883488 201138592 /nfs/dbraw/zinc/13/85/92/201138592.db2.gz YNDBEAZAHPVLNB-LJQANCHMSA-N 2 2 300.446 3.276 20 0 DGADLP COC[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978912 201156545 /nfs/dbraw/zinc/15/65/45/201156545.db2.gz BGCAPIPDAKTLEO-BRWVUGGUSA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978912 201156548 /nfs/dbraw/zinc/15/65/48/201156548.db2.gz BGCAPIPDAKTLEO-BRWVUGGUSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441360438 239042562 /nfs/dbraw/zinc/04/25/62/239042562.db2.gz SRRRHEVVQZTZIU-WMZOPIPTSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441360438 239042566 /nfs/dbraw/zinc/04/25/66/239042566.db2.gz SRRRHEVVQZTZIU-WMZOPIPTSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441360438 239042569 /nfs/dbraw/zinc/04/25/69/239042569.db2.gz SRRRHEVVQZTZIU-WMZOPIPTSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441360438 239042574 /nfs/dbraw/zinc/04/25/74/239042574.db2.gz SRRRHEVVQZTZIU-WMZOPIPTSA-N 2 2 317.477 3.128 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759139 239121495 /nfs/dbraw/zinc/12/14/95/239121495.db2.gz KISMGJLJGZBIAT-IJLUTSLNSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759139 239121498 /nfs/dbraw/zinc/12/14/98/239121498.db2.gz KISMGJLJGZBIAT-IJLUTSLNSA-N 2 2 308.376 3.162 20 0 DGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000443009163 239165029 /nfs/dbraw/zinc/16/50/29/239165029.db2.gz JDMYAPYWKJEMHE-AWEZNQCLSA-N 2 2 309.335 3.315 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000189890427 432101396 /nfs/dbraw/zinc/10/13/96/432101396.db2.gz JKTUPWWGPJPRHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000189890427 432101399 /nfs/dbraw/zinc/10/13/99/432101399.db2.gz JKTUPWWGPJPRHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000189890427 432101401 /nfs/dbraw/zinc/10/14/01/432101401.db2.gz JKTUPWWGPJPRHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000189890427 432101403 /nfs/dbraw/zinc/10/14/03/432101403.db2.gz JKTUPWWGPJPRHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000246168493 432102971 /nfs/dbraw/zinc/10/29/71/432102971.db2.gz VENBTFQHIOCENT-SOUVJXGZSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccncc1F)[N@H+](C)Cc1ccccc1 ZINC000449175038 240052281 /nfs/dbraw/zinc/05/22/81/240052281.db2.gz JMBUTFMKPBTYRJ-OAHLLOKOSA-N 2 2 301.409 3.221 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccncc1F)[N@@H+](C)Cc1ccccc1 ZINC000449175038 240052286 /nfs/dbraw/zinc/05/22/86/240052286.db2.gz JMBUTFMKPBTYRJ-OAHLLOKOSA-N 2 2 301.409 3.221 20 0 DGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000449176482 240053075 /nfs/dbraw/zinc/05/30/75/240053075.db2.gz MUIYRYILJYUHHM-KDOFPFPSSA-N 2 2 318.486 3.391 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000449207941 240068288 /nfs/dbraw/zinc/06/82/88/240068288.db2.gz OMIZPGOSORJOAO-NXHRZFHOSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000449207941 240068290 /nfs/dbraw/zinc/06/82/90/240068290.db2.gz OMIZPGOSORJOAO-NXHRZFHOSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000449352001 240148464 /nfs/dbraw/zinc/14/84/64/240148464.db2.gz SZYNZDHPVQETOI-CYBMUJFWSA-N 2 2 319.836 3.430 20 0 DGADLP CCC[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000449387399 240167410 /nfs/dbraw/zinc/16/74/10/240167410.db2.gz LKEYLNIYDSOFOX-RTBURBONSA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000449387399 240167417 /nfs/dbraw/zinc/16/74/17/240167417.db2.gz LKEYLNIYDSOFOX-RTBURBONSA-N 2 2 304.478 3.007 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000449386463 240167431 /nfs/dbraw/zinc/16/74/31/240167431.db2.gz IMFDZEGXVWBMBW-VJFUWPCTSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000449386463 240167436 /nfs/dbraw/zinc/16/74/36/240167436.db2.gz IMFDZEGXVWBMBW-VJFUWPCTSA-N 2 2 322.880 3.022 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449386971 240167502 /nfs/dbraw/zinc/16/75/02/240167502.db2.gz KFEKWMZJXGOVGX-AABGKKOBSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000449386971 240167508 /nfs/dbraw/zinc/16/75/08/240167508.db2.gz KFEKWMZJXGOVGX-AABGKKOBSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449401869 240176492 /nfs/dbraw/zinc/17/64/92/240176492.db2.gz IXTASUKNEVOQEO-OXJNMPFZSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)ccn1 ZINC000449401869 240176497 /nfs/dbraw/zinc/17/64/97/240176497.db2.gz IXTASUKNEVOQEO-OXJNMPFZSA-N 2 2 309.457 3.390 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325066 240132023 /nfs/dbraw/zinc/13/20/23/240132023.db2.gz JOOLCXQWAGOHOF-QWHCGFSZSA-N 2 2 305.372 3.291 20 0 DGADLP COCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000449328600 240133445 /nfs/dbraw/zinc/13/34/45/240133445.db2.gz JVZHFDASJLOPAI-ACAXCVFMSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000449328600 240133450 /nfs/dbraw/zinc/13/34/50/240133450.db2.gz JVZHFDASJLOPAI-ACAXCVFMSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449519071 240264533 /nfs/dbraw/zinc/26/45/33/240264533.db2.gz CDTYWFPKIGLDSO-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449519071 240264536 /nfs/dbraw/zinc/26/45/36/240264536.db2.gz CDTYWFPKIGLDSO-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000449736530 240389472 /nfs/dbraw/zinc/38/94/72/240389472.db2.gz VNDMLGDOXJDLSQ-UZLBHIALSA-N 2 2 309.457 3.309 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000449736530 240389478 /nfs/dbraw/zinc/38/94/78/240389478.db2.gz VNDMLGDOXJDLSQ-UZLBHIALSA-N 2 2 309.457 3.309 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000091287727 193030915 /nfs/dbraw/zinc/03/09/15/193030915.db2.gz CLDWHCLQUSTHOY-QWHCGFSZSA-N 2 2 320.868 3.219 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000091287727 193030918 /nfs/dbraw/zinc/03/09/18/193030918.db2.gz CLDWHCLQUSTHOY-QWHCGFSZSA-N 2 2 320.868 3.219 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000171131931 432106355 /nfs/dbraw/zinc/10/63/55/432106355.db2.gz KUSYCKFAXQZMRN-ZDUSSCGKSA-N 2 2 303.406 3.448 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1(C)C ZINC000451557529 241175309 /nfs/dbraw/zinc/17/53/09/241175309.db2.gz PTCMRHRUVQPDQR-GOSISDBHSA-N 2 2 313.445 3.428 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1(C)C ZINC000451557529 241175312 /nfs/dbraw/zinc/17/53/12/241175312.db2.gz PTCMRHRUVQPDQR-GOSISDBHSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCC[NH+]2CCCCCC2)c(C)[nH+]1 ZINC000455481763 242213782 /nfs/dbraw/zinc/21/37/82/242213782.db2.gz PCDOUXBLADZREW-UHFFFAOYSA-N 2 2 318.465 3.394 20 0 DGADLP Cc1cc(C)c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)[nH+]1 ZINC000455522164 242224704 /nfs/dbraw/zinc/22/47/04/242224704.db2.gz NEWZCCPYSBNZHK-GDBMZVCRSA-N 2 2 316.449 3.097 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564124 284012816 /nfs/dbraw/zinc/01/28/16/284012816.db2.gz PHUJYYNNRDGQSC-HNNXBMFYSA-N 2 2 305.491 3.471 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564124 284012822 /nfs/dbraw/zinc/01/28/22/284012822.db2.gz PHUJYYNNRDGQSC-HNNXBMFYSA-N 2 2 305.491 3.471 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000423375463 299388428 /nfs/dbraw/zinc/38/84/28/299388428.db2.gz KOVSGXMOOVTRHM-NTZNESFSSA-N 2 2 306.841 3.018 20 0 DGADLP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000459335172 243340357 /nfs/dbraw/zinc/34/03/57/243340357.db2.gz HGXFZDVLKZLUHR-GOSISDBHSA-N 2 2 314.473 3.108 20 0 DGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000459335172 243340360 /nfs/dbraw/zinc/34/03/60/243340360.db2.gz HGXFZDVLKZLUHR-GOSISDBHSA-N 2 2 314.473 3.108 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000480259593 296124003 /nfs/dbraw/zinc/12/40/03/296124003.db2.gz OEKZZBSKJCLPME-QLFBSQMISA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000480259593 296124006 /nfs/dbraw/zinc/12/40/06/296124006.db2.gz OEKZZBSKJCLPME-QLFBSQMISA-N 2 2 310.869 3.490 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423410 243363974 /nfs/dbraw/zinc/36/39/74/243363974.db2.gz JPQJJGWBKUJFDL-AAEUAGOBSA-N 2 2 312.841 3.017 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423410 243363978 /nfs/dbraw/zinc/36/39/78/243363978.db2.gz JPQJJGWBKUJFDL-AAEUAGOBSA-N 2 2 312.841 3.017 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246309990 432118149 /nfs/dbraw/zinc/11/81/49/432118149.db2.gz DEQGLRQXKSYCOD-HOTGVXAUSA-N 2 2 317.477 3.021 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246309990 432118151 /nfs/dbraw/zinc/11/81/51/432118151.db2.gz DEQGLRQXKSYCOD-HOTGVXAUSA-N 2 2 317.477 3.021 20 0 DGADLP CC1CC([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000467728419 244005363 /nfs/dbraw/zinc/00/53/63/244005363.db2.gz RBSXMUKUDRUYGB-UHFFFAOYSA-N 2 2 321.896 3.240 20 0 DGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000468515901 244048345 /nfs/dbraw/zinc/04/83/45/244048345.db2.gz HLHWJEZARFZIRY-AEFFLSMTSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000468515901 244048348 /nfs/dbraw/zinc/04/83/48/244048348.db2.gz HLHWJEZARFZIRY-AEFFLSMTSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000468515901 244048352 /nfs/dbraw/zinc/04/83/52/244048352.db2.gz HLHWJEZARFZIRY-AEFFLSMTSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000468515901 244048354 /nfs/dbraw/zinc/04/83/54/244048354.db2.gz HLHWJEZARFZIRY-AEFFLSMTSA-N 2 2 302.462 3.392 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000468963055 244076491 /nfs/dbraw/zinc/07/64/91/244076491.db2.gz MHNHILZUCWVTSP-FHWLQOOXSA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000468963055 244076492 /nfs/dbraw/zinc/07/64/92/244076492.db2.gz MHNHILZUCWVTSP-FHWLQOOXSA-N 3 2 309.542 3.063 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000470359650 244168847 /nfs/dbraw/zinc/16/88/47/244168847.db2.gz RJOHGRCGWFDUDN-GJZGRUSLSA-N 2 2 310.869 3.144 20 0 DGADLP C[C@H]1C[C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000262322339 203260484 /nfs/dbraw/zinc/26/04/84/203260484.db2.gz CRMDZUHWWCARAB-KBPBESRZSA-N 2 2 311.385 3.201 20 0 DGADLP c1ccc(CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC000119491159 284144139 /nfs/dbraw/zinc/14/41/39/284144139.db2.gz NWPYNFXQZAETOU-FQEVSTJZSA-N 2 2 316.489 3.196 20 0 DGADLP c1ccc(CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC000119491159 284144141 /nfs/dbraw/zinc/14/41/41/284144141.db2.gz NWPYNFXQZAETOU-FQEVSTJZSA-N 2 2 316.489 3.196 20 0 DGADLP C[N@@H+](Cc1cncs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336773 193232732 /nfs/dbraw/zinc/23/27/32/193232732.db2.gz AWCKPVUKYGRLQV-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[N@H+](Cc1cncs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336773 193232733 /nfs/dbraw/zinc/23/27/33/193232733.db2.gz AWCKPVUKYGRLQV-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1cncs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336773 193232734 /nfs/dbraw/zinc/23/27/34/193232734.db2.gz AWCKPVUKYGRLQV-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1cncs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336773 193232735 /nfs/dbraw/zinc/23/27/35/193232735.db2.gz AWCKPVUKYGRLQV-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397054 193243747 /nfs/dbraw/zinc/24/37/47/193243747.db2.gz COSYDOVTXKAOFP-STQMWFEESA-N 2 2 305.491 3.157 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397054 193243748 /nfs/dbraw/zinc/24/37/48/193243748.db2.gz COSYDOVTXKAOFP-STQMWFEESA-N 2 2 305.491 3.157 20 0 DGADLP c1nc(C2CCC2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604531 193272628 /nfs/dbraw/zinc/27/26/28/193272628.db2.gz SKDPLLJTIGYZMB-CQSZACIVSA-N 2 2 305.491 3.328 20 0 DGADLP c1nc(C2CCC2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604531 193272630 /nfs/dbraw/zinc/27/26/30/193272630.db2.gz SKDPLLJTIGYZMB-CQSZACIVSA-N 2 2 305.491 3.328 20 0 DGADLP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000338777880 296153344 /nfs/dbraw/zinc/15/33/44/296153344.db2.gz IDNDWWUSPFCHHT-DOMZBBRYSA-N 2 2 306.841 3.027 20 0 DGADLP COc1ccc([C@H]([NH2+]CCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000121319489 284194489 /nfs/dbraw/zinc/19/44/89/284194489.db2.gz MADPFSIZLKRHOS-LJQANCHMSA-N 2 2 316.420 3.465 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331742 284217597 /nfs/dbraw/zinc/21/75/97/284217597.db2.gz MHXZRMMLDCLNMG-SMDDNHRTSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331742 284217598 /nfs/dbraw/zinc/21/75/98/284217598.db2.gz MHXZRMMLDCLNMG-SMDDNHRTSA-N 2 2 309.251 3.164 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000486946895 245002653 /nfs/dbraw/zinc/00/26/53/245002653.db2.gz BBBVMJMAFWMPEI-GJZGRUSLSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000486946895 245002655 /nfs/dbraw/zinc/00/26/55/245002655.db2.gz BBBVMJMAFWMPEI-GJZGRUSLSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487924754 245123200 /nfs/dbraw/zinc/12/32/00/245123200.db2.gz YYBIOQSAPLAADA-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487924754 245123204 /nfs/dbraw/zinc/12/32/04/245123204.db2.gz YYBIOQSAPLAADA-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000487924754 245123209 /nfs/dbraw/zinc/12/32/09/245123209.db2.gz YYBIOQSAPLAADA-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000487924754 245123210 /nfs/dbraw/zinc/12/32/10/245123210.db2.gz YYBIOQSAPLAADA-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cs1 ZINC000264675970 204070491 /nfs/dbraw/zinc/07/04/91/204070491.db2.gz VOVSZLOCTPSOBN-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCCc3cccc(F)c3)CC2)c1 ZINC000490016195 245372459 /nfs/dbraw/zinc/37/24/59/245372459.db2.gz XHGJDQDVCJGCQH-UHFFFAOYSA-N 2 2 313.420 3.284 20 0 DGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H](C)[N@H+](C)C2CC2)c1C ZINC000264957025 204303649 /nfs/dbraw/zinc/30/36/49/204303649.db2.gz MLZKIWCFAKAQEZ-GFCCVEGCSA-N 2 2 311.433 3.050 20 0 DGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H](C)[N@@H+](C)C2CC2)c1C ZINC000264957025 204303654 /nfs/dbraw/zinc/30/36/54/204303654.db2.gz MLZKIWCFAKAQEZ-GFCCVEGCSA-N 2 2 311.433 3.050 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000246373263 432125626 /nfs/dbraw/zinc/12/56/26/432125626.db2.gz JLMQZLXWZDGKEY-VQIMIIECSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000246373263 432125627 /nfs/dbraw/zinc/12/56/27/432125627.db2.gz JLMQZLXWZDGKEY-VQIMIIECSA-N 2 2 313.489 3.462 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000271704864 209140962 /nfs/dbraw/zinc/14/09/62/209140962.db2.gz NGOSQJLLRDLARW-KBPBESRZSA-N 2 2 324.440 3.368 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000271704864 209140965 /nfs/dbraw/zinc/14/09/65/209140965.db2.gz NGOSQJLLRDLARW-KBPBESRZSA-N 2 2 324.440 3.368 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268732193 432127347 /nfs/dbraw/zinc/12/73/47/432127347.db2.gz MNRXCYJNZGTTEX-ZIAGYGMSSA-N 2 2 310.869 3.317 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCOC)c1cccc(OC)c1 ZINC000268773462 432130451 /nfs/dbraw/zinc/13/04/51/432130451.db2.gz USHWCKZDAKMINQ-YJBOKZPZSA-N 2 2 308.466 3.093 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCOC)c1cccc(OC)c1 ZINC000268773459 432130933 /nfs/dbraw/zinc/13/09/33/432130933.db2.gz USHWCKZDAKMINQ-CRAIPNDOSA-N 2 2 308.466 3.093 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2sccc2Br)[C@@H](C)C1 ZINC000246442376 432132219 /nfs/dbraw/zinc/13/22/19/432132219.db2.gz OQRZUYZJABINSP-JQWIXIFHSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2sccc2Br)[C@@H](C)C1 ZINC000246442376 432132223 /nfs/dbraw/zinc/13/22/23/432132223.db2.gz OQRZUYZJABINSP-JQWIXIFHSA-N 2 2 317.296 3.331 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)c[nH+]1 ZINC000493896043 246093331 /nfs/dbraw/zinc/09/33/31/246093331.db2.gz CLKYXPUWUNNCFN-CEXWTWQISA-N 2 2 323.440 3.310 20 0 DGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000493898018 246093578 /nfs/dbraw/zinc/09/35/78/246093578.db2.gz SXYBIJXQFLVKQC-MDMSPXHWSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCCC[C@H]1C ZINC000493898018 246093584 /nfs/dbraw/zinc/09/35/84/246093584.db2.gz SXYBIJXQFLVKQC-MDMSPXHWSA-N 2 2 306.494 3.187 20 0 DGADLP Fc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000494431822 246146297 /nfs/dbraw/zinc/14/62/97/246146297.db2.gz RBSBLSNGDIOJJJ-ZDUSSCGKSA-N 2 2 313.298 3.146 20 0 DGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494431800 246146844 /nfs/dbraw/zinc/14/68/44/246146844.db2.gz QWWQYAWLPBJXLA-LBPRGKRZSA-N 2 2 313.298 3.146 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000494495990 246155879 /nfs/dbraw/zinc/15/58/79/246155879.db2.gz NVMDGLPKSZTETJ-CRAIPNDOSA-N 2 2 302.462 3.145 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000494495990 246155880 /nfs/dbraw/zinc/15/58/80/246155880.db2.gz NVMDGLPKSZTETJ-CRAIPNDOSA-N 2 2 302.462 3.145 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)cs1 ZINC000494939699 246214979 /nfs/dbraw/zinc/21/49/79/246214979.db2.gz REKJOGIQPUACHK-YUELXQCFSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)cs1 ZINC000494939699 246214984 /nfs/dbraw/zinc/21/49/84/246214984.db2.gz REKJOGIQPUACHK-YUELXQCFSA-N 2 2 314.882 3.085 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000494961429 246215931 /nfs/dbraw/zinc/21/59/31/246215931.db2.gz ZPRZZMVMDPZCLV-QGZVFWFLSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000494961429 246215933 /nfs/dbraw/zinc/21/59/33/246215933.db2.gz ZPRZZMVMDPZCLV-QGZVFWFLSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000494961429 246215937 /nfs/dbraw/zinc/21/59/37/246215937.db2.gz ZPRZZMVMDPZCLV-QGZVFWFLSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000494961429 246215939 /nfs/dbraw/zinc/21/59/39/246215939.db2.gz ZPRZZMVMDPZCLV-QGZVFWFLSA-N 2 2 320.452 3.388 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246491125 432137894 /nfs/dbraw/zinc/13/78/94/432137894.db2.gz RWLLCGMTNLWUCU-LSTDLKDCSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246491125 432137896 /nfs/dbraw/zinc/13/78/96/432137896.db2.gz RWLLCGMTNLWUCU-LSTDLKDCSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261568533 296232292 /nfs/dbraw/zinc/23/22/92/296232292.db2.gz JHKLZXIOZRCHNL-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261568533 296232293 /nfs/dbraw/zinc/23/22/93/296232293.db2.gz JHKLZXIOZRCHNL-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000137414079 296232341 /nfs/dbraw/zinc/23/23/41/296232341.db2.gz HHHLZBFYFFLBTI-QWHCGFSZSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000137414079 296232343 /nfs/dbraw/zinc/23/23/43/296232343.db2.gz HHHLZBFYFFLBTI-QWHCGFSZSA-N 2 2 311.267 3.394 20 0 DGADLP CCC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190270235 432138698 /nfs/dbraw/zinc/13/86/98/432138698.db2.gz WGTJZNZPYCMJDF-AEFFLSMTSA-N 2 2 302.462 3.341 20 0 DGADLP CCC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190270235 432138701 /nfs/dbraw/zinc/13/87/01/432138701.db2.gz WGTJZNZPYCMJDF-AEFFLSMTSA-N 2 2 302.462 3.341 20 0 DGADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190270235 432138707 /nfs/dbraw/zinc/13/87/07/432138707.db2.gz WGTJZNZPYCMJDF-AEFFLSMTSA-N 2 2 302.462 3.341 20 0 DGADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190270235 432138711 /nfs/dbraw/zinc/13/87/11/432138711.db2.gz WGTJZNZPYCMJDF-AEFFLSMTSA-N 2 2 302.462 3.341 20 0 DGADLP c1ccc2oc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246519283 432139990 /nfs/dbraw/zinc/13/99/90/432139990.db2.gz IREDHNUPHRVICC-YOEHRIQHSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246519283 432139992 /nfs/dbraw/zinc/13/99/92/432139992.db2.gz IREDHNUPHRVICC-YOEHRIQHSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000246519283 432139995 /nfs/dbraw/zinc/13/99/95/432139995.db2.gz IREDHNUPHRVICC-YOEHRIQHSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000246519283 432139999 /nfs/dbraw/zinc/13/99/99/432139999.db2.gz IREDHNUPHRVICC-YOEHRIQHSA-N 2 2 311.429 3.277 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000136095449 432144787 /nfs/dbraw/zinc/14/47/87/432144787.db2.gz DNXHWTQUKRTMIT-ZBFHGGJFSA-N 2 2 323.400 3.016 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000136095449 432144792 /nfs/dbraw/zinc/14/47/92/432144792.db2.gz DNXHWTQUKRTMIT-ZBFHGGJFSA-N 2 2 323.400 3.016 20 0 DGADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578972 432145532 /nfs/dbraw/zinc/14/55/32/432145532.db2.gz COXKSEXTCLDUEA-SJLPKXTDSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578972 432145537 /nfs/dbraw/zinc/14/55/37/432145537.db2.gz COXKSEXTCLDUEA-SJLPKXTDSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578972 432145539 /nfs/dbraw/zinc/14/55/39/432145539.db2.gz COXKSEXTCLDUEA-SJLPKXTDSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578972 432145542 /nfs/dbraw/zinc/14/55/42/432145542.db2.gz COXKSEXTCLDUEA-SJLPKXTDSA-N 2 2 317.477 3.210 20 0 DGADLP OC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000268885940 432146199 /nfs/dbraw/zinc/14/61/99/432146199.db2.gz MRSMIORVWRHFAT-UHFFFAOYSA-N 2 2 322.880 3.199 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527646717 295109147 /nfs/dbraw/zinc/10/91/47/295109147.db2.gz XFWGJGZTYPEWFJ-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414097109 284691764 /nfs/dbraw/zinc/69/17/64/284691764.db2.gz IBFIYWMOIOGBAA-XYJFISCASA-N 2 2 318.509 3.381 20 0 DGADLP CCCCc1noc([C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000109796306 194286491 /nfs/dbraw/zinc/28/64/91/194286491.db2.gz XSWUECOWDXORFS-CYBMUJFWSA-N 2 2 303.410 3.007 20 0 DGADLP Clc1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109795633 194287150 /nfs/dbraw/zinc/28/71/50/194287150.db2.gz PGLSMGCFPKPTCA-UHFFFAOYSA-N 2 2 305.809 3.252 20 0 DGADLP CO[C@@H](C)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268848905 207015440 /nfs/dbraw/zinc/01/54/40/207015440.db2.gz OPENEGISWHVKMW-AWEZNQCLSA-N 2 2 310.869 3.319 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000268903008 207070850 /nfs/dbraw/zinc/07/08/50/207070850.db2.gz PEWHYGOHRVDLGR-JTDSTZFVSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000268903008 207070853 /nfs/dbraw/zinc/07/08/53/207070853.db2.gz PEWHYGOHRVDLGR-JTDSTZFVSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000268903005 207070936 /nfs/dbraw/zinc/07/09/36/207070936.db2.gz PEWHYGOHRVDLGR-BXWFABGCSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000268903005 207070940 /nfs/dbraw/zinc/07/09/40/207070940.db2.gz PEWHYGOHRVDLGR-BXWFABGCSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268974279 207136696 /nfs/dbraw/zinc/13/66/96/207136696.db2.gz OHYHOIBYTYHJPT-NZSAHSFTSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268974279 207136700 /nfs/dbraw/zinc/13/67/00/207136700.db2.gz OHYHOIBYTYHJPT-NZSAHSFTSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)s1)Cn1cc[nH+]c1 ZINC000066990493 184444640 /nfs/dbraw/zinc/44/46/40/184444640.db2.gz OAMZRPKQPZRRHM-AWEZNQCLSA-N 2 2 312.442 3.433 20 0 DGADLP Cc1cc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000119651350 195010311 /nfs/dbraw/zinc/01/03/11/195010311.db2.gz KWLXTLBSCANDAD-CYBMUJFWSA-N 2 2 304.438 3.022 20 0 DGADLP Cc1cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000119651350 195010313 /nfs/dbraw/zinc/01/03/13/195010313.db2.gz KWLXTLBSCANDAD-CYBMUJFWSA-N 2 2 304.438 3.022 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838754 195046075 /nfs/dbraw/zinc/04/60/75/195046075.db2.gz FCNPNKOEYSTCRY-CRAIPNDOSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838754 195046078 /nfs/dbraw/zinc/04/60/78/195046078.db2.gz FCNPNKOEYSTCRY-CRAIPNDOSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000120032490 195083588 /nfs/dbraw/zinc/08/35/88/195083588.db2.gz MWSLYARUVXPBPN-QGZVFWFLSA-N 2 2 312.417 3.123 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000249096982 285054811 /nfs/dbraw/zinc/05/48/11/285054811.db2.gz OSQXXPISLDFAOB-QRQLOZEOSA-N 2 2 304.478 3.473 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000249096982 285054814 /nfs/dbraw/zinc/05/48/14/285054814.db2.gz OSQXXPISLDFAOB-QRQLOZEOSA-N 2 2 304.478 3.473 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423343872 533027142 /nfs/dbraw/zinc/02/71/42/533027142.db2.gz WICWUXGGUHMEFD-KRWDZBQOSA-N 2 2 312.457 3.033 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000337050501 253040640 /nfs/dbraw/zinc/04/06/40/253040640.db2.gz JEQHDKIHBQTGFT-VQTJNVASSA-N 2 2 310.441 3.272 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000337050501 253040643 /nfs/dbraw/zinc/04/06/43/253040643.db2.gz JEQHDKIHBQTGFT-VQTJNVASSA-N 2 2 310.441 3.272 20 0 DGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269394 253074775 /nfs/dbraw/zinc/07/47/75/253074775.db2.gz LQKRLUDPMKLERU-CQSZACIVSA-N 2 2 323.868 3.085 20 0 DGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269394 253074776 /nfs/dbraw/zinc/07/47/76/253074776.db2.gz LQKRLUDPMKLERU-CQSZACIVSA-N 2 2 323.868 3.085 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000337276270 253076010 /nfs/dbraw/zinc/07/60/10/253076010.db2.gz FCVYPOZWCDNPHT-XLNGHYISSA-N 2 2 324.415 3.399 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000337276270 253076013 /nfs/dbraw/zinc/07/60/13/253076013.db2.gz FCVYPOZWCDNPHT-XLNGHYISSA-N 2 2 324.415 3.399 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000337281045 253077868 /nfs/dbraw/zinc/07/78/68/253077868.db2.gz VWIOYKGEUFVCQL-UHFFFAOYSA-N 2 2 317.408 3.398 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000337281045 253077869 /nfs/dbraw/zinc/07/78/69/253077869.db2.gz VWIOYKGEUFVCQL-UHFFFAOYSA-N 2 2 317.408 3.398 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337323328 253086972 /nfs/dbraw/zinc/08/69/72/253086972.db2.gz AJBSLDMAFDPDBI-ZIFCJYIRSA-N 2 2 301.478 3.429 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337323328 253086974 /nfs/dbraw/zinc/08/69/74/253086974.db2.gz AJBSLDMAFDPDBI-ZIFCJYIRSA-N 2 2 301.478 3.429 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166431 195109995 /nfs/dbraw/zinc/10/99/95/195109995.db2.gz OQSPCCZQMSPKDF-HOTGVXAUSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166431 195109999 /nfs/dbraw/zinc/10/99/99/195109999.db2.gz OQSPCCZQMSPKDF-HOTGVXAUSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000337405451 253107997 /nfs/dbraw/zinc/10/79/97/253107997.db2.gz JFIMKLDXPPTHEO-LZLYRXPVSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000337405451 253107999 /nfs/dbraw/zinc/10/79/99/253107999.db2.gz JFIMKLDXPPTHEO-LZLYRXPVSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000337405451 253108001 /nfs/dbraw/zinc/10/80/01/253108001.db2.gz JFIMKLDXPPTHEO-LZLYRXPVSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000337405451 253108003 /nfs/dbraw/zinc/10/80/03/253108003.db2.gz JFIMKLDXPPTHEO-LZLYRXPVSA-N 2 2 306.498 3.314 20 0 DGADLP CC1CCC(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000337519923 253132098 /nfs/dbraw/zinc/13/20/98/253132098.db2.gz ORSOYAHSCCQIKC-UHFFFAOYSA-N 2 2 322.416 3.449 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000338290086 253258453 /nfs/dbraw/zinc/25/84/53/253258453.db2.gz TWHFAMCHZLVIPC-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000338290086 253258455 /nfs/dbraw/zinc/25/84/55/253258455.db2.gz TWHFAMCHZLVIPC-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP CC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H](COC)Cc1ccccc1 ZINC000342929903 285106742 /nfs/dbraw/zinc/10/67/42/285106742.db2.gz SFSLKXJYERAVPE-LJQANCHMSA-N 2 2 323.440 3.414 20 0 DGADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H](COC)Cc1ccccc1 ZINC000342929903 285106744 /nfs/dbraw/zinc/10/67/44/285106744.db2.gz SFSLKXJYERAVPE-LJQANCHMSA-N 2 2 323.440 3.414 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000159287869 197343465 /nfs/dbraw/zinc/34/34/65/197343465.db2.gz QIFHMXRLYQVAHH-LBPRGKRZSA-N 2 2 308.223 3.132 20 0 DGADLP CCC[C@@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000338334170 253267265 /nfs/dbraw/zinc/26/72/65/253267265.db2.gz ZOMLLXXJOURGDE-HZPDHXFCSA-N 2 2 303.450 3.134 20 0 DGADLP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000338334170 253267267 /nfs/dbraw/zinc/26/72/67/253267267.db2.gz ZOMLLXXJOURGDE-HZPDHXFCSA-N 2 2 303.450 3.134 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)n1-c1ccccc1 ZINC000273015542 210396411 /nfs/dbraw/zinc/39/64/11/210396411.db2.gz CSUAHDIPZHXJJV-DOTOQJQBSA-N 2 2 313.445 3.476 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444773 253289176 /nfs/dbraw/zinc/28/91/76/253289176.db2.gz IXHBWGSTCDZGDW-WBVHZDCISA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444773 253289178 /nfs/dbraw/zinc/28/91/78/253289178.db2.gz IXHBWGSTCDZGDW-WBVHZDCISA-N 2 2 324.472 3.110 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCOC(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000338963605 253380497 /nfs/dbraw/zinc/38/04/97/253380497.db2.gz FBPFUISXZSSLKC-HOCLYGCPSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCOC(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000338963605 253380499 /nfs/dbraw/zinc/38/04/99/253380499.db2.gz FBPFUISXZSSLKC-HOCLYGCPSA-N 2 2 312.404 3.116 20 0 DGADLP COc1cc(C)[nH+]c(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000271302160 208794873 /nfs/dbraw/zinc/79/48/73/208794873.db2.gz CGIJGJWXWUPKHX-UHFFFAOYSA-N 2 2 322.290 3.210 20 0 DGADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342595712 254016031 /nfs/dbraw/zinc/01/60/31/254016031.db2.gz MSAAWPKNSYQCAW-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342595712 254016034 /nfs/dbraw/zinc/01/60/34/254016034.db2.gz MSAAWPKNSYQCAW-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccnc(OC(F)F)c2)c[nH+]1 ZINC000342839343 254062273 /nfs/dbraw/zinc/06/22/73/254062273.db2.gz QLYNWZOWKNOOBK-UHFFFAOYSA-N 2 2 307.344 3.109 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034131 254088915 /nfs/dbraw/zinc/08/89/15/254088915.db2.gz MHRQJTOMJCPNBY-YLJYHZDGSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034131 254088917 /nfs/dbraw/zinc/08/89/17/254088917.db2.gz MHRQJTOMJCPNBY-YLJYHZDGSA-N 3 2 315.505 3.102 20 0 DGADLP CCN(CCC[NH+]1CCCC1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000343205149 254114229 /nfs/dbraw/zinc/11/42/29/254114229.db2.gz LNDHYHBACULKKA-UHFFFAOYSA-N 2 2 301.356 3.413 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCS2 ZINC000343467417 254148325 /nfs/dbraw/zinc/14/83/25/254148325.db2.gz MHPVPTDDYPXTAY-JCURWCKSSA-N 2 2 318.486 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CCS2 ZINC000343467417 254148326 /nfs/dbraw/zinc/14/83/26/254148326.db2.gz MHPVPTDDYPXTAY-JCURWCKSSA-N 2 2 318.486 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCS2 ZINC000343467420 254148589 /nfs/dbraw/zinc/14/85/89/254148589.db2.gz MHPVPTDDYPXTAY-VUCTXSBTSA-N 2 2 318.486 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@@H]1C)CCS2 ZINC000343467420 254148591 /nfs/dbraw/zinc/14/85/91/254148591.db2.gz MHPVPTDDYPXTAY-VUCTXSBTSA-N 2 2 318.486 3.304 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000343441069 254143806 /nfs/dbraw/zinc/14/38/06/254143806.db2.gz IPFXYTGVBQZBCN-MHORFTMASA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000343441069 254143807 /nfs/dbraw/zinc/14/38/07/254143807.db2.gz IPFXYTGVBQZBCN-MHORFTMASA-N 2 2 301.478 3.489 20 0 DGADLP Cc1ccc(CCC[NH2+]C2CCN(c3nccs3)CC2)c[nH+]1 ZINC000343653122 254173759 /nfs/dbraw/zinc/17/37/59/254173759.db2.gz DZHKERYRVQESJH-UHFFFAOYSA-N 2 2 316.474 3.038 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000343873572 254198328 /nfs/dbraw/zinc/19/83/28/254198328.db2.gz QDSLIAUJPQUNLR-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000343873572 254198330 /nfs/dbraw/zinc/19/83/30/254198330.db2.gz QDSLIAUJPQUNLR-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000343873572 254198332 /nfs/dbraw/zinc/19/83/32/254198332.db2.gz QDSLIAUJPQUNLR-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000343873572 254198333 /nfs/dbraw/zinc/19/83/33/254198333.db2.gz QDSLIAUJPQUNLR-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CCSC1 ZINC000344073614 254221138 /nfs/dbraw/zinc/22/11/38/254221138.db2.gz MCSGGCMIHVZYPF-SJORKVTESA-N 2 2 308.466 3.230 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc2c(ccc3ccccc23)o1 ZINC000344093855 254224068 /nfs/dbraw/zinc/22/40/68/254224068.db2.gz FLIRJPUGOHLKNZ-ZFWWWQNUSA-N 2 2 312.413 3.159 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)CCC2 ZINC000344100620 254225641 /nfs/dbraw/zinc/22/56/41/254225641.db2.gz LBVRGLSXUBUNAN-MWDXBVQZSA-N 2 2 315.461 3.006 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC000344099441 254225668 /nfs/dbraw/zinc/22/56/68/254225668.db2.gz KQWDXNJKGCMKFG-MSOLQXFVSA-N 2 2 311.429 3.310 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174369 254235730 /nfs/dbraw/zinc/23/57/30/254235730.db2.gz QQNJJZHENROSDV-ZWKOTPCHSA-N 2 2 321.484 3.138 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174369 254235732 /nfs/dbraw/zinc/23/57/32/254235732.db2.gz QQNJJZHENROSDV-ZWKOTPCHSA-N 2 2 321.484 3.138 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@@H+]1C ZINC000344634217 254291439 /nfs/dbraw/zinc/29/14/39/254291439.db2.gz RRBPIYRHRUITGB-RYUDHWBXSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@H+]1C ZINC000344634217 254291441 /nfs/dbraw/zinc/29/14/41/254291441.db2.gz RRBPIYRHRUITGB-RYUDHWBXSA-N 2 2 307.488 3.444 20 0 DGADLP Fc1ccc(CC[NH2+]Cc2cccc3[nH+]ccn32)c(F)c1F ZINC000344308034 254254612 /nfs/dbraw/zinc/25/46/12/254254612.db2.gz RVEZTIFSHXEGSA-UHFFFAOYSA-N 2 2 305.303 3.084 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344671564 254294859 /nfs/dbraw/zinc/29/48/59/254294859.db2.gz AAQGRHJMCOTPHJ-XFWGSAIBSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344671564 254294860 /nfs/dbraw/zinc/29/48/60/254294860.db2.gz AAQGRHJMCOTPHJ-XFWGSAIBSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332160 254257844 /nfs/dbraw/zinc/25/78/44/254257844.db2.gz YFOIQCSZJZXUSM-FZMZJTMJSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332160 254257845 /nfs/dbraw/zinc/25/78/45/254257845.db2.gz YFOIQCSZJZXUSM-FZMZJTMJSA-N 2 2 302.340 3.158 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(C)C ZINC000344737246 254300806 /nfs/dbraw/zinc/30/08/06/254300806.db2.gz BHRRBYGLVPOEBJ-NZSAHSFTSA-N 2 2 304.478 3.158 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000344737246 254300807 /nfs/dbraw/zinc/30/08/07/254300807.db2.gz BHRRBYGLVPOEBJ-NZSAHSFTSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344738806 254301012 /nfs/dbraw/zinc/30/10/12/254301012.db2.gz HSRGHMSLOMFPMW-UHFFFAOYSA-N 2 2 315.417 3.084 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000255954487 285189227 /nfs/dbraw/zinc/18/92/27/285189227.db2.gz NIJRPMYYINXSDF-OALUTQOASA-N 2 2 304.478 3.330 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000255954487 285189229 /nfs/dbraw/zinc/18/92/29/285189229.db2.gz NIJRPMYYINXSDF-OALUTQOASA-N 2 2 304.478 3.330 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCc3c[nH]c4ncccc34)cc2)c[nH+]1 ZINC000344846418 254310313 /nfs/dbraw/zinc/31/03/13/254310313.db2.gz MEZFKPFRGVLOHQ-UHFFFAOYSA-N 2 2 317.396 3.081 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000345282127 254349007 /nfs/dbraw/zinc/34/90/07/254349007.db2.gz YNOJWOGZOSQBGD-RYUDHWBXSA-N 2 2 302.871 3.163 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297297 254350894 /nfs/dbraw/zinc/35/08/94/254350894.db2.gz UCNKVDNZDVGMTK-ZWKOTPCHSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297297 254350895 /nfs/dbraw/zinc/35/08/95/254350895.db2.gz UCNKVDNZDVGMTK-ZWKOTPCHSA-N 2 2 321.896 3.017 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000309776984 533141948 /nfs/dbraw/zinc/14/19/48/533141948.db2.gz JLEGRVILPGZOJJ-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309776984 533141950 /nfs/dbraw/zinc/14/19/50/533141950.db2.gz JLEGRVILPGZOJJ-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP COc1cc2[nH+]ccc(NCCc3ccc(C)c[nH+]3)c2cc1OC ZINC000413349870 533145375 /nfs/dbraw/zinc/14/53/75/533145375.db2.gz UJDCUBKUDQHKOX-UHFFFAOYSA-N 2 2 323.396 3.032 20 0 DGADLP COc1cc2[nH+]ccc(NCc3c[nH+]c(C)cc3C)c2cc1OC ZINC000413310157 533145577 /nfs/dbraw/zinc/14/55/77/533145577.db2.gz BUUSVCRZXFHXKR-UHFFFAOYSA-N 2 2 323.396 3.298 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000156403486 197110147 /nfs/dbraw/zinc/11/01/47/197110147.db2.gz JUYGQJXKCSBISK-QGZVFWFLSA-N 2 2 322.880 3.463 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296324 197041530 /nfs/dbraw/zinc/04/15/30/197041530.db2.gz FWUYBBOSUYZKJX-HDMKZQKVSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296324 197041532 /nfs/dbraw/zinc/04/15/32/197041532.db2.gz FWUYBBOSUYZKJX-HDMKZQKVSA-N 2 2 313.445 3.468 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000154871433 197000272 /nfs/dbraw/zinc/00/02/72/197000272.db2.gz JGCXNEUTUFDVND-CYBMUJFWSA-N 2 2 319.474 3.058 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)C[NH+]1CCOCC1 ZINC000120366231 195152492 /nfs/dbraw/zinc/15/24/92/195152492.db2.gz MCXPCNQYKQLZFO-MRXNPFEDSA-N 2 2 314.429 3.005 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000120707964 195220820 /nfs/dbraw/zinc/22/08/20/195220820.db2.gz KGRSMCFRSYWZPM-GASCZTMLSA-N 2 2 318.465 3.270 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000120707964 195220823 /nfs/dbraw/zinc/22/08/23/195220823.db2.gz KGRSMCFRSYWZPM-GASCZTMLSA-N 2 2 318.465 3.270 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000289493176 221014911 /nfs/dbraw/zinc/01/49/11/221014911.db2.gz ZHCAEMRENSZVCV-LBPRGKRZSA-N 2 2 318.446 3.154 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1O ZINC000289605516 221097947 /nfs/dbraw/zinc/09/79/47/221097947.db2.gz GCVXIGPXYBHLNP-AWEZNQCLSA-N 2 2 315.417 3.339 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000289726351 221181341 /nfs/dbraw/zinc/18/13/41/221181341.db2.gz XLUPCPWQFDMOEY-RBUKOAKNSA-N 2 2 323.440 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000289726351 221181343 /nfs/dbraw/zinc/18/13/43/221181343.db2.gz XLUPCPWQFDMOEY-RBUKOAKNSA-N 2 2 323.440 3.406 20 0 DGADLP CCn1nc(C)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1C ZINC000289930431 221323656 /nfs/dbraw/zinc/32/36/56/221323656.db2.gz WKNTXZDSUSYDLU-UHFFFAOYSA-N 2 2 318.465 3.067 20 0 DGADLP CCn1nc(C)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1C ZINC000289930431 221323658 /nfs/dbraw/zinc/32/36/58/221323658.db2.gz WKNTXZDSUSYDLU-UHFFFAOYSA-N 2 2 318.465 3.067 20 0 DGADLP CCn1nc(C)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1C ZINC000289930431 221323660 /nfs/dbraw/zinc/32/36/60/221323660.db2.gz WKNTXZDSUSYDLU-UHFFFAOYSA-N 2 2 318.465 3.067 20 0 DGADLP CCn1nc(C)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1C ZINC000289930431 221323662 /nfs/dbraw/zinc/32/36/62/221323662.db2.gz WKNTXZDSUSYDLU-UHFFFAOYSA-N 2 2 318.465 3.067 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000289955185 221339015 /nfs/dbraw/zinc/33/90/15/221339015.db2.gz QIILHEHZTCYSHN-HNNXBMFYSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000289955185 221339018 /nfs/dbraw/zinc/33/90/18/221339018.db2.gz QIILHEHZTCYSHN-HNNXBMFYSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000289955185 221339020 /nfs/dbraw/zinc/33/90/20/221339020.db2.gz QIILHEHZTCYSHN-HNNXBMFYSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000289955185 221339024 /nfs/dbraw/zinc/33/90/24/221339024.db2.gz QIILHEHZTCYSHN-HNNXBMFYSA-N 2 2 312.461 3.240 20 0 DGADLP OC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000295107087 224441541 /nfs/dbraw/zinc/44/15/41/224441541.db2.gz ULZFLMUAAIRIFT-PBHICJAKSA-N 2 2 322.880 3.055 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534594 285353217 /nfs/dbraw/zinc/35/32/17/285353217.db2.gz IIGHPYKEEDIDRX-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534594 285353222 /nfs/dbraw/zinc/35/32/22/285353222.db2.gz IIGHPYKEEDIDRX-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000121719072 195334012 /nfs/dbraw/zinc/33/40/12/195334012.db2.gz NYWUYCGKGKXJPL-UHFFFAOYSA-N 2 2 318.446 3.047 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117098 533512444 /nfs/dbraw/zinc/51/24/44/533512444.db2.gz GBIFIYQYTOSNPU-UCLAIMLFSA-N 2 2 320.452 3.005 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117098 533512447 /nfs/dbraw/zinc/51/24/47/533512447.db2.gz GBIFIYQYTOSNPU-UCLAIMLFSA-N 2 2 320.452 3.005 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415116049 533513295 /nfs/dbraw/zinc/51/32/95/533513295.db2.gz AXXHBINJNMYAIJ-ZOCIIQOWSA-N 2 2 320.452 3.005 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415116049 533513298 /nfs/dbraw/zinc/51/32/98/533513298.db2.gz AXXHBINJNMYAIJ-ZOCIIQOWSA-N 2 2 320.452 3.005 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423260611 533536559 /nfs/dbraw/zinc/53/65/59/533536559.db2.gz HRFJKLMBTGDXPG-DNVCBOLYSA-N 3 2 312.461 3.431 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423551626 533540820 /nfs/dbraw/zinc/54/08/20/533540820.db2.gz JENBQKIKCBNEIJ-PWSUYJOCSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000297598837 533609027 /nfs/dbraw/zinc/60/90/27/533609027.db2.gz JUISQCCWOJEOFO-KRWDZBQOSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000297598837 533609038 /nfs/dbraw/zinc/60/90/38/533609038.db2.gz JUISQCCWOJEOFO-KRWDZBQOSA-N 3 2 315.505 3.113 20 0 DGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1OC ZINC000294687980 533657464 /nfs/dbraw/zinc/65/74/64/533657464.db2.gz AKZBMEQRBAZXQN-AGUYFDCRSA-N 2 2 324.852 3.072 20 0 DGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1OC ZINC000294687980 533657471 /nfs/dbraw/zinc/65/74/71/533657471.db2.gz AKZBMEQRBAZXQN-AGUYFDCRSA-N 2 2 324.852 3.072 20 0 DGADLP CC[C@@H](CCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188793 545823919 /nfs/dbraw/zinc/82/39/19/545823919.db2.gz LJTVFZSJXUNQRB-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@@H](CCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188793 545823924 /nfs/dbraw/zinc/82/39/24/545823924.db2.gz LJTVFZSJXUNQRB-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)Nc1nc[nH+]c(N)c1Cl)[NH+](C)C ZINC000357537427 285778536 /nfs/dbraw/zinc/77/85/36/285778536.db2.gz SJTSUEOZBXWLJP-SMDDNHRTSA-N 2 2 319.840 3.124 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837456 400096156 /nfs/dbraw/zinc/09/61/56/400096156.db2.gz FBHJFXISQLFRIO-DGCLKSJQSA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837456 400096161 /nfs/dbraw/zinc/09/61/61/400096161.db2.gz FBHJFXISQLFRIO-DGCLKSJQSA-N 2 2 317.389 3.038 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)Cc1c[nH+]c2ccc(C)cn12 ZINC000584772884 400101209 /nfs/dbraw/zinc/10/12/09/400101209.db2.gz KNIBBGCDVBTIGY-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C2CC2)cc1 ZINC000091375349 400115378 /nfs/dbraw/zinc/11/53/78/400115378.db2.gz LPAGONNWZBLYFO-LPHOPBHVSA-N 2 2 302.462 3.147 20 0 DGADLP COCc1cc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)ccc1OC ZINC000090847244 400079314 /nfs/dbraw/zinc/07/93/14/400079314.db2.gz GVCSNFFXQLVVTF-HNNXBMFYSA-N 2 2 314.429 3.438 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c(OC)c1 ZINC000090846832 400079379 /nfs/dbraw/zinc/07/93/79/400079379.db2.gz YFYXWEPAFFZJAL-AWEZNQCLSA-N 2 2 300.402 3.301 20 0 DGADLP CC[N@H+](C)Cc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000091457209 400121077 /nfs/dbraw/zinc/12/10/77/400121077.db2.gz NWPAWDFXLKMNLX-UHFFFAOYSA-N 2 2 321.428 3.276 20 0 DGADLP CC[N@@H+](C)Cc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000091457209 400121084 /nfs/dbraw/zinc/12/10/84/400121084.db2.gz NWPAWDFXLKMNLX-UHFFFAOYSA-N 2 2 321.428 3.276 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(OC)c(OC)cc1C ZINC000091892731 400140765 /nfs/dbraw/zinc/14/07/65/400140765.db2.gz RDNDZRYWMDDFED-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(OC)c(OC)cc1C ZINC000091892731 400140772 /nfs/dbraw/zinc/14/07/72/400140772.db2.gz RDNDZRYWMDDFED-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)c(OC)cc1C ZINC000091892731 400140775 /nfs/dbraw/zinc/14/07/75/400140775.db2.gz RDNDZRYWMDDFED-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)c(OC)cc1C ZINC000091892731 400140780 /nfs/dbraw/zinc/14/07/80/400140780.db2.gz RDNDZRYWMDDFED-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091960982 400142491 /nfs/dbraw/zinc/14/24/91/400142491.db2.gz YOHSXODRVMVZRN-DOMZBBRYSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091960982 400142498 /nfs/dbraw/zinc/14/24/98/400142498.db2.gz YOHSXODRVMVZRN-DOMZBBRYSA-N 2 2 302.447 3.300 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071372 400152639 /nfs/dbraw/zinc/15/26/39/400152639.db2.gz VTXCCSDXRFJESQ-INIZCTEOSA-N 2 2 321.428 3.488 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071372 400152643 /nfs/dbraw/zinc/15/26/43/400152643.db2.gz VTXCCSDXRFJESQ-INIZCTEOSA-N 2 2 321.428 3.488 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073813 400154015 /nfs/dbraw/zinc/15/40/15/400154015.db2.gz QEEDKBLLRYOPQL-HNNXBMFYSA-N 2 2 315.417 3.197 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073813 400154019 /nfs/dbraw/zinc/15/40/19/400154019.db2.gz QEEDKBLLRYOPQL-HNNXBMFYSA-N 2 2 315.417 3.197 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000317822628 400155792 /nfs/dbraw/zinc/15/57/92/400155792.db2.gz VEAHAGOFBSBYRB-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000317822628 400155803 /nfs/dbraw/zinc/15/58/03/400155803.db2.gz VEAHAGOFBSBYRB-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770666 400255736 /nfs/dbraw/zinc/25/57/36/400255736.db2.gz OLDGUMBXUFNSNN-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770666 400255739 /nfs/dbraw/zinc/25/57/39/400255739.db2.gz OLDGUMBXUFNSNN-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770666 400255740 /nfs/dbraw/zinc/25/57/40/400255740.db2.gz OLDGUMBXUFNSNN-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770666 400255743 /nfs/dbraw/zinc/25/57/43/400255743.db2.gz OLDGUMBXUFNSNN-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000092738731 400199788 /nfs/dbraw/zinc/19/97/88/400199788.db2.gz QEYLZMIQIAICHE-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cn1 ZINC000092738368 400200049 /nfs/dbraw/zinc/20/00/49/400200049.db2.gz FKUZBUJEFKAPGS-HNNXBMFYSA-N 2 2 324.403 3.359 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770185 400255100 /nfs/dbraw/zinc/25/51/00/400255100.db2.gz HFUDHKNIRORSJZ-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770185 400255109 /nfs/dbraw/zinc/25/51/09/400255109.db2.gz HFUDHKNIRORSJZ-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770185 400255116 /nfs/dbraw/zinc/25/51/16/400255116.db2.gz HFUDHKNIRORSJZ-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770185 400255121 /nfs/dbraw/zinc/25/51/21/400255121.db2.gz HFUDHKNIRORSJZ-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866338 400259117 /nfs/dbraw/zinc/25/91/17/400259117.db2.gz VAZPYTUDUCAAOL-HNNXBMFYSA-N 2 2 317.458 3.390 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866338 400259125 /nfs/dbraw/zinc/25/91/25/400259125.db2.gz VAZPYTUDUCAAOL-HNNXBMFYSA-N 2 2 317.458 3.390 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865806 400259745 /nfs/dbraw/zinc/25/97/45/400259745.db2.gz VXMJYCMFEXBVJU-AWEZNQCLSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865806 400259747 /nfs/dbraw/zinc/25/97/47/400259747.db2.gz VXMJYCMFEXBVJU-AWEZNQCLSA-N 2 2 318.804 3.397 20 0 DGADLP COC1([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)CCCC1 ZINC000421821817 292146399 /nfs/dbraw/zinc/14/63/99/292146399.db2.gz UJDBDNUIJPCYHY-AWEZNQCLSA-N 2 2 301.434 3.282 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000073381246 400447739 /nfs/dbraw/zinc/44/77/39/400447739.db2.gz XGSSEAFMXRLLFB-UHFFFAOYSA-N 2 2 314.351 3.302 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000596654706 400473242 /nfs/dbraw/zinc/47/32/42/400473242.db2.gz MGCHWRZSYSYPBD-MFKMUULPSA-N 2 2 306.397 3.307 20 0 DGADLP Fc1ccc(OCCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081910 400484827 /nfs/dbraw/zinc/48/48/27/400484827.db2.gz BLNWHRJWMCEZJW-MRXNPFEDSA-N 2 2 303.381 3.128 20 0 DGADLP Brc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353186 400490233 /nfs/dbraw/zinc/49/02/33/400490233.db2.gz CQGVRVWFTCDANU-UHFFFAOYSA-N 2 2 308.223 3.216 20 0 DGADLP COC(=O)c1csc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000602567228 400498768 /nfs/dbraw/zinc/49/87/68/400498768.db2.gz IXERTMDMRMMSJZ-UHFFFAOYSA-N 2 2 322.474 3.031 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129018006 400520150 /nfs/dbraw/zinc/52/01/50/400520150.db2.gz AARMQDCQEZKXSL-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129018006 400520155 /nfs/dbraw/zinc/52/01/55/400520155.db2.gz AARMQDCQEZKXSL-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000597188039 400581536 /nfs/dbraw/zinc/58/15/36/400581536.db2.gz JWLVNEGFHAYJGV-FVQHAEBGSA-N 2 2 324.509 3.066 20 0 DGADLP COC(=O)c1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1Cl ZINC000597066615 400551070 /nfs/dbraw/zinc/55/10/70/400551070.db2.gz OZMVBUCSPHXBPH-UHFFFAOYSA-N 2 2 318.804 3.162 20 0 DGADLP Clc1ccc2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cn2c1 ZINC000591867231 400567510 /nfs/dbraw/zinc/56/75/10/400567510.db2.gz MOWNOHMJRLIBCZ-OAHLLOKOSA-N 2 2 315.808 3.021 20 0 DGADLP Clc1ccc2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cn2c1 ZINC000591867231 400567513 /nfs/dbraw/zinc/56/75/13/400567513.db2.gz MOWNOHMJRLIBCZ-OAHLLOKOSA-N 2 2 315.808 3.021 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)c[nH+]1 ZINC000591869465 400568178 /nfs/dbraw/zinc/56/81/78/400568178.db2.gz XRWDBUAKAYSSMH-SFHVURJKSA-N 2 2 319.412 3.177 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)c[nH+]1 ZINC000591869465 400568182 /nfs/dbraw/zinc/56/81/82/400568182.db2.gz XRWDBUAKAYSSMH-SFHVURJKSA-N 2 2 319.412 3.177 20 0 DGADLP COc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000075758027 400609975 /nfs/dbraw/zinc/60/99/75/400609975.db2.gz VCMXXECICWGGHA-UHFFFAOYSA-N 2 2 307.397 3.230 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000146627728 400649649 /nfs/dbraw/zinc/64/96/49/400649649.db2.gz CKEFHBDNGHHVST-UHFFFAOYSA-N 2 2 306.425 3.251 20 0 DGADLP CCC[N@H+](CC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000603938518 400735652 /nfs/dbraw/zinc/73/56/52/400735652.db2.gz PLUOIDGJESNSAY-UHFFFAOYSA-N 2 2 312.408 3.039 20 0 DGADLP CCC[N@@H+](CC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000603938518 400735653 /nfs/dbraw/zinc/73/56/53/400735653.db2.gz PLUOIDGJESNSAY-UHFFFAOYSA-N 2 2 312.408 3.039 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1SC ZINC000597977456 400708870 /nfs/dbraw/zinc/70/88/70/400708870.db2.gz OIBSQKFABNORDP-OAHLLOKOSA-N 2 2 317.458 3.451 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1SC ZINC000597977456 400708872 /nfs/dbraw/zinc/70/88/72/400708872.db2.gz OIBSQKFABNORDP-OAHLLOKOSA-N 2 2 317.458 3.451 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2ncccc12 ZINC000051953327 400710841 /nfs/dbraw/zinc/71/08/41/400710841.db2.gz XPLWMGMHXBGGAL-UHFFFAOYSA-N 2 2 313.420 3.434 20 0 DGADLP Fc1cccc(F)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000078887950 400831309 /nfs/dbraw/zinc/83/13/09/400831309.db2.gz KAPBRUPXKLEBKO-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP CCOC(=O)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000599067034 400947120 /nfs/dbraw/zinc/94/71/20/400947120.db2.gz ZRMYDWXSAVGTQL-LEOMRAHMSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000599067034 400947125 /nfs/dbraw/zinc/94/71/25/400947125.db2.gz ZRMYDWXSAVGTQL-LEOMRAHMSA-N 2 2 322.493 3.105 20 0 DGADLP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000218945517 400952053 /nfs/dbraw/zinc/95/20/53/400952053.db2.gz RVGMSKBHXRLZEA-UHFFFAOYSA-N 2 2 300.446 3.210 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598959892 400912856 /nfs/dbraw/zinc/91/28/56/400912856.db2.gz MHLKCSQLOWPYNF-LBPRGKRZSA-N 2 2 312.479 3.133 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000598963285 400913754 /nfs/dbraw/zinc/91/37/54/400913754.db2.gz CELAYCVQYWJNRL-OLZOCXBDSA-N 2 2 324.490 3.276 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000598963285 400913758 /nfs/dbraw/zinc/91/37/58/400913758.db2.gz CELAYCVQYWJNRL-OLZOCXBDSA-N 2 2 324.490 3.276 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000358155637 285985304 /nfs/dbraw/zinc/98/53/04/285985304.db2.gz MGYZRBNTODNYMA-JFIYKMOQSA-N 2 2 302.462 3.244 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000236788094 400981518 /nfs/dbraw/zinc/98/15/18/400981518.db2.gz FSBHDQRCPIWOGP-JKSUJKDBSA-N 2 2 317.477 3.211 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000236788094 400981524 /nfs/dbraw/zinc/98/15/24/400981524.db2.gz FSBHDQRCPIWOGP-JKSUJKDBSA-N 2 2 317.477 3.211 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317627 401020335 /nfs/dbraw/zinc/02/03/35/401020335.db2.gz TWKWFRSQMZOBPQ-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317627 401020342 /nfs/dbraw/zinc/02/03/42/401020342.db2.gz TWKWFRSQMZOBPQ-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317627 401020351 /nfs/dbraw/zinc/02/03/51/401020351.db2.gz TWKWFRSQMZOBPQ-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317627 401020357 /nfs/dbraw/zinc/02/03/57/401020357.db2.gz TWKWFRSQMZOBPQ-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP COc1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080985116 401012657 /nfs/dbraw/zinc/01/26/57/401012657.db2.gz HRNNARSIMMACAD-HNNXBMFYSA-N 2 2 315.417 3.067 20 0 DGADLP COc1ccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080985116 401012664 /nfs/dbraw/zinc/01/26/64/401012664.db2.gz HRNNARSIMMACAD-HNNXBMFYSA-N 2 2 315.417 3.067 20 0 DGADLP CCC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000245871216 401015659 /nfs/dbraw/zinc/01/56/59/401015659.db2.gz RNWSQMPODMURML-AZUAARDMSA-N 2 2 316.489 3.224 20 0 DGADLP CCC[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000245871216 401015670 /nfs/dbraw/zinc/01/56/70/401015670.db2.gz RNWSQMPODMURML-AZUAARDMSA-N 2 2 316.489 3.224 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000599306385 401017262 /nfs/dbraw/zinc/01/72/62/401017262.db2.gz GUYZZPWPLBYYHB-OAHLLOKOSA-N 2 2 321.465 3.346 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C[NH2+]1 ZINC000629536675 400965561 /nfs/dbraw/zinc/96/55/61/400965561.db2.gz IKTYQFCVDHBBEC-WDBKCZKBSA-N 2 2 309.251 3.167 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000629651391 401018133 /nfs/dbraw/zinc/01/81/33/401018133.db2.gz PZYUJQVHTYJLOT-UHFFFAOYSA-N 2 2 314.429 3.151 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000629651391 401018135 /nfs/dbraw/zinc/01/81/35/401018135.db2.gz PZYUJQVHTYJLOT-UHFFFAOYSA-N 2 2 314.429 3.151 20 0 DGADLP Cc1nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000080686025 400979499 /nfs/dbraw/zinc/97/94/99/400979499.db2.gz YPLMKIANSMAOTH-FQEVSTJZSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000080686025 400979503 /nfs/dbraw/zinc/97/95/03/400979503.db2.gz YPLMKIANSMAOTH-FQEVSTJZSA-N 2 2 322.456 3.278 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccsc2Cl)CC[C@H]1C(F)(F)F ZINC000629566132 400980495 /nfs/dbraw/zinc/98/04/95/400980495.db2.gz YMBAJSXLNCYJFZ-VHSXEESVSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@H]1C(F)(F)F ZINC000629566132 400980502 /nfs/dbraw/zinc/98/05/02/400980502.db2.gz YMBAJSXLNCYJFZ-VHSXEESVSA-N 2 2 312.788 3.361 20 0 DGADLP COCCN(C)c1ccc(-c2ccc(F)c(C[NH+](C)C)c2)c[nH+]1 ZINC000629738931 401068929 /nfs/dbraw/zinc/06/89/29/401068929.db2.gz TZKZWPUJEJPQCH-UHFFFAOYSA-N 2 2 317.408 3.032 20 0 DGADLP CC[C@H](CO)Nc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)c[nH+]1 ZINC000629738020 401070125 /nfs/dbraw/zinc/07/01/25/401070125.db2.gz FJJWVXCINDAHNU-MRXNPFEDSA-N 2 2 317.408 3.132 20 0 DGADLP COC(=O)[C@]1([NH2+]CCCCn2cc[nH+]c2C)CCCC(C)(C)C1 ZINC000599559780 401077331 /nfs/dbraw/zinc/07/73/31/401077331.db2.gz VXSPNJPJCGXQTC-SFHVURJKSA-N 2 2 321.465 3.073 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081658261 401087965 /nfs/dbraw/zinc/08/79/65/401087965.db2.gz PCTYHPSYSRYENA-IBGZPJMESA-N 3 2 324.472 3.036 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081658261 401087971 /nfs/dbraw/zinc/08/79/71/401087971.db2.gz PCTYHPSYSRYENA-IBGZPJMESA-N 3 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081658261 401087980 /nfs/dbraw/zinc/08/79/80/401087980.db2.gz PCTYHPSYSRYENA-IBGZPJMESA-N 3 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081658261 401087987 /nfs/dbraw/zinc/08/79/87/401087987.db2.gz PCTYHPSYSRYENA-IBGZPJMESA-N 3 2 324.472 3.036 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)[NH+](C)C ZINC000599973088 401166299 /nfs/dbraw/zinc/16/62/99/401166299.db2.gz OLKKPOMPYQGWNE-OAHLLOKOSA-N 2 2 316.449 3.385 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)c[nH+]1 ZINC000594732926 401162646 /nfs/dbraw/zinc/16/26/46/401162646.db2.gz UBWZDOXUYZTAHI-HNNXBMFYSA-N 2 2 314.414 3.437 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)c[nH+]1 ZINC000594732926 401162654 /nfs/dbraw/zinc/16/26/54/401162654.db2.gz UBWZDOXUYZTAHI-HNNXBMFYSA-N 2 2 314.414 3.437 20 0 DGADLP Cc1cn2ccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000620650867 401165118 /nfs/dbraw/zinc/16/51/18/401165118.db2.gz FXBYBDBSUOOIRN-KRWDZBQOSA-N 2 2 322.412 3.274 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@@H](C)C1 ZINC000358267020 286015996 /nfs/dbraw/zinc/01/59/96/286015996.db2.gz OGMZKIOHTOUKMR-GOEBONIOSA-N 2 2 305.466 3.079 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@@H](C)C1 ZINC000358267020 286015999 /nfs/dbraw/zinc/01/59/99/286015999.db2.gz OGMZKIOHTOUKMR-GOEBONIOSA-N 2 2 305.466 3.079 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000494479620 286023509 /nfs/dbraw/zinc/02/35/09/286023509.db2.gz WHFXDWYCBZKANW-MNEFBYGVSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000494479620 286023514 /nfs/dbraw/zinc/02/35/14/286023514.db2.gz WHFXDWYCBZKANW-MNEFBYGVSA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000594957890 401207029 /nfs/dbraw/zinc/20/70/29/401207029.db2.gz WJQCXBZGFKXZMX-UYSNPLJNSA-N 2 2 324.509 3.349 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000594957890 401207035 /nfs/dbraw/zinc/20/70/35/401207035.db2.gz WJQCXBZGFKXZMX-UYSNPLJNSA-N 2 2 324.509 3.349 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000621719342 401284104 /nfs/dbraw/zinc/28/41/04/401284104.db2.gz JWTDHUAPXJVRPR-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nccnc1C ZINC000621719342 401284107 /nfs/dbraw/zinc/28/41/07/401284107.db2.gz JWTDHUAPXJVRPR-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCc2ccccc21 ZINC000090046611 401249853 /nfs/dbraw/zinc/24/98/53/401249853.db2.gz XTIFEFYGDPUOQI-APWZRJJASA-N 2 2 302.462 3.155 20 0 DGADLP CCC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000090047499 401251155 /nfs/dbraw/zinc/25/11/55/401251155.db2.gz BMGHHJDQGSILFV-QFBILLFUSA-N 2 2 320.477 3.237 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004944 401335376 /nfs/dbraw/zinc/33/53/76/401335376.db2.gz WNGVREKPOHLOTN-MJGOQNOKSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004944 401335378 /nfs/dbraw/zinc/33/53/78/401335378.db2.gz WNGVREKPOHLOTN-MJGOQNOKSA-N 2 2 311.404 3.201 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000634732489 401340802 /nfs/dbraw/zinc/34/08/02/401340802.db2.gz HPYXGLWEVLBPQV-IBGZPJMESA-N 3 2 315.505 3.019 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000626088660 401297249 /nfs/dbraw/zinc/29/72/49/401297249.db2.gz IJSWGFSAZUZBLI-RBUKOAKNSA-N 2 2 314.473 3.119 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780107 401299152 /nfs/dbraw/zinc/29/91/52/401299152.db2.gz NNMKEVKWBBWLOK-CXAGYDPISA-N 2 2 317.820 3.308 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780107 401299155 /nfs/dbraw/zinc/29/91/55/401299155.db2.gz NNMKEVKWBBWLOK-CXAGYDPISA-N 2 2 317.820 3.308 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1C ZINC000621777465 401299202 /nfs/dbraw/zinc/29/92/02/401299202.db2.gz CQWVIZKTWXKRAO-APWZRJJASA-N 2 2 300.446 3.128 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1C ZINC000621777465 401299203 /nfs/dbraw/zinc/29/92/03/401299203.db2.gz CQWVIZKTWXKRAO-APWZRJJASA-N 2 2 300.446 3.128 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccc3nccnc3c2)[NH+](C)C)cc1 ZINC000634957545 401388829 /nfs/dbraw/zinc/38/88/29/401388829.db2.gz QFRKZWQGMZUNSC-HXUWFJFHSA-N 2 2 320.440 3.331 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2nccnc2c1 ZINC000634982135 401395087 /nfs/dbraw/zinc/39/50/87/401395087.db2.gz CUNQBWWVNRBIJM-KRWDZBQOSA-N 2 2 312.461 3.230 20 0 DGADLP CC(C)C[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)n1cc[nH+]c1 ZINC000635494649 401448572 /nfs/dbraw/zinc/44/85/72/401448572.db2.gz KDRJDCKUFBSDMA-INIZCTEOSA-N 2 2 323.400 3.499 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@H](c1ccccc1)[NH+](C)C ZINC000623015255 401454112 /nfs/dbraw/zinc/45/41/12/401454112.db2.gz SBKNSZMEFGFICX-SCLBCKFNSA-N 2 2 301.409 3.189 20 0 DGADLP CCOc1ccccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088388 401462750 /nfs/dbraw/zinc/46/27/50/401462750.db2.gz JVPRYJIMPBGWHJ-UHFFFAOYSA-N 2 2 312.404 3.152 20 0 DGADLP Fc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1F ZINC000623088852 401463164 /nfs/dbraw/zinc/46/31/64/401463164.db2.gz HTVBCKIJSXYRIS-UHFFFAOYSA-N 2 2 304.331 3.032 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCc3ncccc32)c[nH+]1 ZINC000631567535 401499803 /nfs/dbraw/zinc/49/98/03/401499803.db2.gz YEVODLCJRSQRLY-FQEVSTJZSA-N 2 2 318.424 3.494 20 0 DGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000631642661 401522128 /nfs/dbraw/zinc/52/21/28/401522128.db2.gz QFPYRHQBCVZOLT-LJQANCHMSA-N 2 2 321.424 3.471 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000623654521 401562143 /nfs/dbraw/zinc/56/21/43/401562143.db2.gz BISLKCLHYMELQI-MRXNPFEDSA-N 2 2 319.468 3.247 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000623654521 401562146 /nfs/dbraw/zinc/56/21/46/401562146.db2.gz BISLKCLHYMELQI-MRXNPFEDSA-N 2 2 319.468 3.247 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000623655181 401562294 /nfs/dbraw/zinc/56/22/94/401562294.db2.gz QLRCDROOONCFAF-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000623655181 401562297 /nfs/dbraw/zinc/56/22/97/401562297.db2.gz QLRCDROOONCFAF-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP Clc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c2ncccc12 ZINC000631867473 401562392 /nfs/dbraw/zinc/56/23/92/401562392.db2.gz AYDHWKQYEAMZKQ-DYVFJYSZSA-N 2 2 301.821 3.120 20 0 DGADLP Cc1[nH]c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH+]c1C ZINC000628272877 401565374 /nfs/dbraw/zinc/56/53/74/401565374.db2.gz ATDMZLHHNJVWPF-HXUWFJFHSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1[nH]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH+]c1C ZINC000628272877 401565378 /nfs/dbraw/zinc/56/53/78/401565378.db2.gz ATDMZLHHNJVWPF-HXUWFJFHSA-N 2 2 324.472 3.125 20 0 DGADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC000628277196 401565928 /nfs/dbraw/zinc/56/59/28/401565928.db2.gz HFDVCHWSAWMKDS-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC000628277196 401565931 /nfs/dbraw/zinc/56/59/31/401565931.db2.gz HFDVCHWSAWMKDS-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000628285683 401567530 /nfs/dbraw/zinc/56/75/30/401567530.db2.gz CMSUVLZMCQLYHO-CYBMUJFWSA-N 2 2 309.335 3.118 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000628285683 401567531 /nfs/dbraw/zinc/56/75/31/401567531.db2.gz CMSUVLZMCQLYHO-CYBMUJFWSA-N 2 2 309.335 3.118 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCc3scnc32)c[nH+]1 ZINC000623872561 401591343 /nfs/dbraw/zinc/59/13/43/401591343.db2.gz IGEYGJSPNHASCD-CQSZACIVSA-N 2 2 310.426 3.496 20 0 DGADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1cc(C)ccc1C ZINC000623894356 401595603 /nfs/dbraw/zinc/59/56/03/401595603.db2.gz PUXZRWNPMGVXIQ-SFHVURJKSA-N 2 2 304.478 3.455 20 0 DGADLP Cc1c[nH]c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000628170383 401541350 /nfs/dbraw/zinc/54/13/50/401541350.db2.gz YAMOKDNRVRODPD-WMZOPIPTSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1c[nH]c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000628170383 401541351 /nfs/dbraw/zinc/54/13/51/401541351.db2.gz YAMOKDNRVRODPD-WMZOPIPTSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000628181529 401543247 /nfs/dbraw/zinc/54/32/47/401543247.db2.gz GRHHJBQUQMSCQX-HUUCEWRRSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000628181529 401543248 /nfs/dbraw/zinc/54/32/48/401543248.db2.gz GRHHJBQUQMSCQX-HUUCEWRRSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000631748651 401549374 /nfs/dbraw/zinc/54/93/74/401549374.db2.gz IJGKKEZPJMAVLL-PXNSSMCTSA-N 2 2 316.489 3.364 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000631748651 401549375 /nfs/dbraw/zinc/54/93/75/401549375.db2.gz IJGKKEZPJMAVLL-PXNSSMCTSA-N 2 2 316.489 3.364 20 0 DGADLP c1ccc(NCCCC[NH2+]Cc2cnc3ccccc3n2)[nH+]c1 ZINC000628211610 401551131 /nfs/dbraw/zinc/55/11/31/401551131.db2.gz OMRLCQHECGICEY-UHFFFAOYSA-N 2 2 307.401 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121994 401629401 /nfs/dbraw/zinc/62/94/01/401629401.db2.gz HKTOVLPXVIUENC-UONOGXRCSA-N 2 2 307.507 3.404 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121994 401629403 /nfs/dbraw/zinc/62/94/03/401629403.db2.gz HKTOVLPXVIUENC-UONOGXRCSA-N 2 2 307.507 3.404 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624339747 401653093 /nfs/dbraw/zinc/65/30/93/401653093.db2.gz UDQGATIWKGCDLN-JQHSSLGASA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624339747 401653096 /nfs/dbraw/zinc/65/30/96/401653096.db2.gz UDQGATIWKGCDLN-JQHSSLGASA-N 2 2 322.880 3.022 20 0 DGADLP CC(C)CCOCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358679388 286122478 /nfs/dbraw/zinc/12/24/78/286122478.db2.gz MPSPHMVLUPMDRY-UHFFFAOYSA-N 2 2 310.404 3.056 20 0 DGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000358708087 286129169 /nfs/dbraw/zinc/12/91/69/286129169.db2.gz AMDLHDHRHDLMRX-GOSISDBHSA-N 2 2 322.880 3.321 20 0 DGADLP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000414224684 286149072 /nfs/dbraw/zinc/14/90/72/286149072.db2.gz AVDCWDUSGUTYCE-IUODEOHRSA-N 2 2 322.415 3.196 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@@H+]1C ZINC000358979043 286204600 /nfs/dbraw/zinc/20/46/00/286204600.db2.gz FZQJEJPSHAUTGL-ATZDWAIDSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@H+]1C ZINC000358979043 286204602 /nfs/dbraw/zinc/20/46/02/286204602.db2.gz FZQJEJPSHAUTGL-ATZDWAIDSA-N 2 2 324.472 3.322 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000359087914 286234010 /nfs/dbraw/zinc/23/40/10/286234010.db2.gz XJJCOJZHOGHCNR-SJLPKXTDSA-N 2 2 308.510 3.458 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000359117810 286240999 /nfs/dbraw/zinc/24/09/99/286240999.db2.gz SXIIQXNYKVXFHZ-BTHPGYMESA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000359117810 286241001 /nfs/dbraw/zinc/24/10/01/286241001.db2.gz SXIIQXNYKVXFHZ-BTHPGYMESA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359117271 286241091 /nfs/dbraw/zinc/24/10/91/286241091.db2.gz SHBDEQFVVBZTPE-LMCOJAPRSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359117271 286241093 /nfs/dbraw/zinc/24/10/93/286241093.db2.gz SHBDEQFVVBZTPE-LMCOJAPRSA-N 3 2 319.537 3.246 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359272872 286273107 /nfs/dbraw/zinc/27/31/07/286273107.db2.gz MRQMERWRXYAMGH-QGZVFWFLSA-N 2 2 317.433 3.306 20 0 DGADLP c1cn(-c2ccc(CNc3cc4c(c[nH+]3)CCCC4)cc2)c[nH+]1 ZINC000359470341 286315176 /nfs/dbraw/zinc/31/51/76/286315176.db2.gz VIZBESLXIZVSRP-UHFFFAOYSA-N 2 2 304.397 3.180 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000359519543 286325286 /nfs/dbraw/zinc/32/52/86/286325286.db2.gz BAAZXTMGOANOJB-HOCLYGCPSA-N 2 2 308.491 3.072 20 0 DGADLP CC[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCOC1 ZINC000359661553 286356092 /nfs/dbraw/zinc/35/60/92/286356092.db2.gz NWAQFVIWHXYSOM-CEXWTWQISA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000359682795 286360079 /nfs/dbraw/zinc/36/00/79/286360079.db2.gz WUNIJAVZOPNJIP-LZWOXQAQSA-N 2 2 308.491 3.214 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000359682795 286360081 /nfs/dbraw/zinc/36/00/81/286360081.db2.gz WUNIJAVZOPNJIP-LZWOXQAQSA-N 2 2 308.491 3.214 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359738409 286371515 /nfs/dbraw/zinc/37/15/15/286371515.db2.gz XZDKUIMPVSDSGW-DOTOQJQBSA-N 2 2 321.513 3.023 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@]2(C)CCCS2)[C@H]2CCC[NH2+]2)cc1 ZINC000422874658 286375941 /nfs/dbraw/zinc/37/59/41/286375941.db2.gz OBEYOJQBUVKXQD-FGTMMUONSA-N 2 2 320.502 3.364 20 0 DGADLP C[N@H+](CCOc1cc(Cl)ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000359911801 286386703 /nfs/dbraw/zinc/38/67/03/286386703.db2.gz MPSMANBUDPKGFE-CYBMUJFWSA-N 2 2 303.233 3.041 20 0 DGADLP C[N@@H+](CCOc1cc(Cl)ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000359911801 286386704 /nfs/dbraw/zinc/38/67/04/286386704.db2.gz MPSMANBUDPKGFE-CYBMUJFWSA-N 2 2 303.233 3.041 20 0 DGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCC3)oc2cc1C ZINC000360244023 286449186 /nfs/dbraw/zinc/44/91/86/286449186.db2.gz YQOMAIWKCMWYIT-DOTOQJQBSA-N 2 2 316.445 3.157 20 0 DGADLP Cc1nc(NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc[nH+]1 ZINC000361025151 286579660 /nfs/dbraw/zinc/57/96/60/286579660.db2.gz JRRFVYFBWKZPJS-MAUKXSAKSA-N 2 2 312.461 3.384 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000361554945 286689125 /nfs/dbraw/zinc/68/91/25/286689125.db2.gz WHMCBHYFDZVFKH-UHFFFAOYSA-N 2 2 304.463 3.101 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CCSC1 ZINC000361972756 286753329 /nfs/dbraw/zinc/75/33/29/286753329.db2.gz UCWFBAKXCQJGHJ-HZPDHXFCSA-N 2 2 310.894 3.354 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423044669 286914046 /nfs/dbraw/zinc/91/40/46/286914046.db2.gz RDNIIBTVOMAFMH-MSOLQXFVSA-N 2 2 301.478 3.297 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423060099 287050000 /nfs/dbraw/zinc/05/00/00/287050000.db2.gz NOZBWLKMQRHBQH-AEJSXWLSSA-N 2 2 303.269 3.302 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185636997 165011165 /nfs/dbraw/zinc/01/11/65/165011165.db2.gz KGFGUYXBQZFCBD-RPVQJOFSSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185636997 165011166 /nfs/dbraw/zinc/01/11/66/165011166.db2.gz KGFGUYXBQZFCBD-RPVQJOFSSA-N 2 2 315.461 3.134 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000188813739 165138548 /nfs/dbraw/zinc/13/85/48/165138548.db2.gz CJQFMOONKUZURG-ZWKOTPCHSA-N 2 2 322.880 3.462 20 0 DGADLP CCOC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000189343463 165158668 /nfs/dbraw/zinc/15/86/68/165158668.db2.gz UUVGCTPYUIQPMJ-CQSZACIVSA-N 2 2 310.404 3.054 20 0 DGADLP Brc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000190742277 165213377 /nfs/dbraw/zinc/21/33/77/165213377.db2.gz KAXVMLJIEDERIT-UHFFFAOYSA-N 2 2 320.190 3.022 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CCO)C(C)(C)C ZINC000192164152 165284739 /nfs/dbraw/zinc/28/47/39/165284739.db2.gz SWBHQPNPUCTLCH-QGZVFWFLSA-N 2 2 301.434 3.067 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192931835 165309916 /nfs/dbraw/zinc/30/99/16/165309916.db2.gz BXZDDNYRFYXORH-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192931835 165309918 /nfs/dbraw/zinc/30/99/18/165309918.db2.gz BXZDDNYRFYXORH-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000219884676 165379769 /nfs/dbraw/zinc/37/97/69/165379769.db2.gz HJSQJRWOBHGZDN-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000219884676 165379771 /nfs/dbraw/zinc/37/97/71/165379771.db2.gz HJSQJRWOBHGZDN-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343836 165385435 /nfs/dbraw/zinc/38/54/35/165385435.db2.gz LBZVGLGHZFSVPM-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343836 165385439 /nfs/dbraw/zinc/38/54/39/165385439.db2.gz LBZVGLGHZFSVPM-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343836 165385445 /nfs/dbraw/zinc/38/54/45/165385445.db2.gz LBZVGLGHZFSVPM-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343836 165385448 /nfs/dbraw/zinc/38/54/48/165385448.db2.gz LBZVGLGHZFSVPM-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP Clc1cc(Br)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228410059 165390146 /nfs/dbraw/zinc/39/01/46/165390146.db2.gz XJIFUPFCGDQWTC-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000365272232 287116707 /nfs/dbraw/zinc/11/67/07/287116707.db2.gz IIHMDKABZBATSC-MSOLQXFVSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000365272232 287116709 /nfs/dbraw/zinc/11/67/09/287116709.db2.gz IIHMDKABZBATSC-MSOLQXFVSA-N 2 2 311.429 3.039 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000262292094 165796034 /nfs/dbraw/zinc/79/60/34/165796034.db2.gz NKSXTUDWTVGIGM-KZNAEPCWSA-N 3 2 307.526 3.151 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000365629535 287155927 /nfs/dbraw/zinc/15/59/27/287155927.db2.gz MYXNUNSYAHWLQP-OAHLLOKOSA-N 2 2 301.459 3.392 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000365629535 287155931 /nfs/dbraw/zinc/15/59/31/287155931.db2.gz MYXNUNSYAHWLQP-OAHLLOKOSA-N 2 2 301.459 3.392 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000365634185 287156660 /nfs/dbraw/zinc/15/66/60/287156660.db2.gz XMQUUMCCEKFWJI-HNNXBMFYSA-N 2 2 324.403 3.487 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000365634185 287156662 /nfs/dbraw/zinc/15/66/62/287156662.db2.gz XMQUUMCCEKFWJI-HNNXBMFYSA-N 2 2 324.403 3.487 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000365665076 287160119 /nfs/dbraw/zinc/16/01/19/287160119.db2.gz OKNXXRDPEYTOPQ-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000365665076 287160123 /nfs/dbraw/zinc/16/01/23/287160123.db2.gz OKNXXRDPEYTOPQ-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cc1cscc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000365874555 287183209 /nfs/dbraw/zinc/18/32/09/287183209.db2.gz DXKKHJLUQRWAQE-KDOFPFPSSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cscc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000365874555 287183212 /nfs/dbraw/zinc/18/32/12/287183212.db2.gz DXKKHJLUQRWAQE-KDOFPFPSSA-N 2 2 315.486 3.452 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc2c1 ZINC000365986574 287195677 /nfs/dbraw/zinc/19/56/77/287195677.db2.gz ZKOSFEYZGVCVDQ-NSHDSACASA-N 2 2 300.337 3.070 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc2c1 ZINC000365986574 287195678 /nfs/dbraw/zinc/19/56/78/287195678.db2.gz ZKOSFEYZGVCVDQ-NSHDSACASA-N 2 2 300.337 3.070 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc2c1 ZINC000365986573 287195770 /nfs/dbraw/zinc/19/57/70/287195770.db2.gz ZKOSFEYZGVCVDQ-LLVKDONJSA-N 2 2 300.337 3.070 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc2c1 ZINC000365986573 287195771 /nfs/dbraw/zinc/19/57/71/287195771.db2.gz ZKOSFEYZGVCVDQ-LLVKDONJSA-N 2 2 300.337 3.070 20 0 DGADLP COc1ccc(F)cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366006323 287198731 /nfs/dbraw/zinc/19/87/31/287198731.db2.gz RQAZEDMDVQWKOK-CYBMUJFWSA-N 2 2 303.381 3.006 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cc2)c[nH+]1 ZINC000136710765 432160987 /nfs/dbraw/zinc/16/09/87/432160987.db2.gz LTUVYRJGTPOTCA-KRWDZBQOSA-N 2 2 311.429 3.454 20 0 DGADLP Clc1cc2c(c(C[NH2+]CCCCn3cc[nH+]c3)c1)OCC2 ZINC000136392472 432154042 /nfs/dbraw/zinc/15/40/42/432154042.db2.gz LKSWPYKVCCUZGJ-UHFFFAOYSA-N 2 2 305.809 3.041 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000136501225 432156569 /nfs/dbraw/zinc/15/65/69/432156569.db2.gz LMXJOWCOFLUSDN-SWLSCSKDSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000136501225 432156575 /nfs/dbraw/zinc/15/65/75/432156575.db2.gz LMXJOWCOFLUSDN-SWLSCSKDSA-N 2 2 323.278 3.206 20 0 DGADLP Clc1cnccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246809986 432168585 /nfs/dbraw/zinc/16/85/85/432168585.db2.gz NHBMEYFYWDJMJD-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246809986 432168590 /nfs/dbraw/zinc/16/85/90/432168590.db2.gz NHBMEYFYWDJMJD-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246809986 432168594 /nfs/dbraw/zinc/16/85/94/432168594.db2.gz NHBMEYFYWDJMJD-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246809986 432168600 /nfs/dbraw/zinc/16/86/00/432168600.db2.gz NHBMEYFYWDJMJD-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000269631376 432189949 /nfs/dbraw/zinc/18/99/49/432189949.db2.gz PXVHQYUBWHFLGY-UHFFFAOYSA-N 2 2 301.438 3.347 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000150898853 432199424 /nfs/dbraw/zinc/19/94/24/432199424.db2.gz IRMKXPBKRSSQSU-JYJNAYRXSA-N 2 2 308.491 3.290 20 0 DGADLP Brc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000130721496 196104166 /nfs/dbraw/zinc/10/41/66/196104166.db2.gz ZCOMSMXAXRRKSX-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000130721496 196104168 /nfs/dbraw/zinc/10/41/68/196104168.db2.gz ZCOMSMXAXRRKSX-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000130781566 196109232 /nfs/dbraw/zinc/10/92/32/196109232.db2.gz RDIKNTFJQJIBFJ-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000130781566 196109233 /nfs/dbraw/zinc/10/92/33/196109233.db2.gz RDIKNTFJQJIBFJ-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000247152425 432207897 /nfs/dbraw/zinc/20/78/97/432207897.db2.gz XDMXATIRGGEMQR-IDCNUPLLSA-N 2 2 319.493 3.043 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000247152425 432207899 /nfs/dbraw/zinc/20/78/99/432207899.db2.gz XDMXATIRGGEMQR-IDCNUPLLSA-N 2 2 319.493 3.043 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000247125098 432204224 /nfs/dbraw/zinc/20/42/24/432204224.db2.gz UYYJIBIUNAESQS-IFIJOSMWSA-N 2 2 304.409 3.254 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000247125098 432204226 /nfs/dbraw/zinc/20/42/26/432204226.db2.gz UYYJIBIUNAESQS-IFIJOSMWSA-N 2 2 304.409 3.254 20 0 DGADLP COc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000151156092 432224682 /nfs/dbraw/zinc/22/46/82/432224682.db2.gz JJGHBZFHYGULRR-KRWDZBQOSA-N 2 2 301.434 3.139 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OCC ZINC000151158052 432224817 /nfs/dbraw/zinc/22/48/17/432224817.db2.gz UMTUUPJVYVEDMB-OAHLLOKOSA-N 2 2 317.433 3.421 20 0 DGADLP C[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247368544 432226086 /nfs/dbraw/zinc/22/60/86/432226086.db2.gz HPIWEYDRDLQRBJ-MAUKXSAKSA-N 2 2 317.408 3.374 20 0 DGADLP C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247368544 432226088 /nfs/dbraw/zinc/22/60/88/432226088.db2.gz HPIWEYDRDLQRBJ-MAUKXSAKSA-N 2 2 317.408 3.374 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471335 196171477 /nfs/dbraw/zinc/17/14/77/196171477.db2.gz IKUBPFKMNSJEHE-NWDGAFQWSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471335 196171479 /nfs/dbraw/zinc/17/14/79/196171479.db2.gz IKUBPFKMNSJEHE-NWDGAFQWSA-N 2 2 305.809 3.164 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000172553570 432220266 /nfs/dbraw/zinc/22/02/66/432220266.db2.gz RBQYPJZNYFJJNO-IRXDYDNUSA-N 2 2 301.434 3.138 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247299938 432220419 /nfs/dbraw/zinc/22/04/19/432220419.db2.gz ZQDRKCTZDJWXFH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247299938 432220424 /nfs/dbraw/zinc/22/04/24/432220424.db2.gz ZQDRKCTZDJWXFH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247299938 432220425 /nfs/dbraw/zinc/22/04/25/432220425.db2.gz ZQDRKCTZDJWXFH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247299938 432220429 /nfs/dbraw/zinc/22/04/29/432220429.db2.gz ZQDRKCTZDJWXFH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172584032 432220862 /nfs/dbraw/zinc/22/08/62/432220862.db2.gz ICMNUDBEXUAAGZ-MRXNPFEDSA-N 2 2 318.461 3.062 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172584032 432220866 /nfs/dbraw/zinc/22/08/66/432220866.db2.gz ICMNUDBEXUAAGZ-MRXNPFEDSA-N 2 2 318.461 3.062 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172584032 432220868 /nfs/dbraw/zinc/22/08/68/432220868.db2.gz ICMNUDBEXUAAGZ-MRXNPFEDSA-N 2 2 318.461 3.062 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC[C@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000151149301 432223956 /nfs/dbraw/zinc/22/39/56/432223956.db2.gz KEMQEXUBQXHBFC-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000151149301 432223959 /nfs/dbraw/zinc/22/39/59/432223959.db2.gz KEMQEXUBQXHBFC-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000151149301 432223962 /nfs/dbraw/zinc/22/39/62/432223962.db2.gz KEMQEXUBQXHBFC-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Br ZINC000131705767 196192513 /nfs/dbraw/zinc/19/25/13/196192513.db2.gz YQHHJEYHDPDHQG-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Br ZINC000131705767 196192515 /nfs/dbraw/zinc/19/25/15/196192515.db2.gz YQHHJEYHDPDHQG-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP Cc1cc(NCc2[nH+]ccn2CCc2ccccc2)nc(C)[nH+]1 ZINC000133184427 196319099 /nfs/dbraw/zinc/31/90/99/196319099.db2.gz KPFZNUQTFMPZRW-UHFFFAOYSA-N 2 2 307.401 3.145 20 0 DGADLP C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1n1cc[nH+]c1 ZINC000134133848 196364373 /nfs/dbraw/zinc/36/43/73/196364373.db2.gz NKAWCCXDACBXCD-YPMHNXCESA-N 2 2 310.323 3.384 20 0 DGADLP Brc1ccsc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000135410024 196471558 /nfs/dbraw/zinc/47/15/58/196471558.db2.gz WKDLFPPEPSXLBE-UHFFFAOYSA-N 2 2 317.296 3.476 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000295812070 225266802 /nfs/dbraw/zinc/26/68/02/225266802.db2.gz CTNPIJUCNVKBTG-INIZCTEOSA-N 2 2 312.461 3.002 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000295812070 225266808 /nfs/dbraw/zinc/26/68/08/225266808.db2.gz CTNPIJUCNVKBTG-INIZCTEOSA-N 2 2 312.461 3.002 20 0 DGADLP Cc1ccc(CNc2nc(C)[nH+]c(C)c2C)c(N2CCCC2)[nH+]1 ZINC000302061202 230072345 /nfs/dbraw/zinc/07/23/45/230072345.db2.gz SZRGVDKFWZMZAS-UHFFFAOYSA-N 2 2 311.433 3.318 20 0 DGADLP c1ccc(N2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)[nH+]c1 ZINC000236747333 263848039 /nfs/dbraw/zinc/84/80/39/263848039.db2.gz WBUCGZMQKQBLJI-UHFFFAOYSA-N 2 2 311.473 3.465 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000346294107 264004281 /nfs/dbraw/zinc/00/42/81/264004281.db2.gz JXTGPFSQDXNYEF-CYBMUJFWSA-N 2 2 310.429 3.279 20 0 DGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000346371879 264020149 /nfs/dbraw/zinc/02/01/49/264020149.db2.gz LVPKPVRZMNCFAB-WSTZPKSXSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000346371879 264020153 /nfs/dbraw/zinc/02/01/53/264020153.db2.gz LVPKPVRZMNCFAB-WSTZPKSXSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346494150 264041183 /nfs/dbraw/zinc/04/11/83/264041183.db2.gz REGGVAMRVGFSFD-NXHRZFHOSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346494150 264041184 /nfs/dbraw/zinc/04/11/84/264041184.db2.gz REGGVAMRVGFSFD-NXHRZFHOSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000346603300 264063481 /nfs/dbraw/zinc/06/34/81/264063481.db2.gz AOAKBWGJRYYIHM-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000346603300 264063483 /nfs/dbraw/zinc/06/34/83/264063483.db2.gz AOAKBWGJRYYIHM-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000346603300 264063484 /nfs/dbraw/zinc/06/34/84/264063484.db2.gz AOAKBWGJRYYIHM-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000346603300 264063486 /nfs/dbraw/zinc/06/34/86/264063486.db2.gz AOAKBWGJRYYIHM-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000346603301 264063658 /nfs/dbraw/zinc/06/36/58/264063658.db2.gz AOAKBWGJRYYIHM-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000346603301 264063661 /nfs/dbraw/zinc/06/36/61/264063661.db2.gz AOAKBWGJRYYIHM-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000346603301 264063663 /nfs/dbraw/zinc/06/36/63/264063663.db2.gz AOAKBWGJRYYIHM-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000346603301 264063665 /nfs/dbraw/zinc/06/36/65/264063665.db2.gz AOAKBWGJRYYIHM-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000346789968 264097833 /nfs/dbraw/zinc/09/78/33/264097833.db2.gz FYIBMOIMYPGFGB-MNZLEMJZSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820266 264102706 /nfs/dbraw/zinc/10/27/06/264102706.db2.gz HGGBDSLQXNRFGU-KSSFIOAISA-N 2 2 313.445 3.087 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820266 264102707 /nfs/dbraw/zinc/10/27/07/264102707.db2.gz HGGBDSLQXNRFGU-KSSFIOAISA-N 2 2 313.445 3.087 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820260 264102809 /nfs/dbraw/zinc/10/28/09/264102809.db2.gz HGGBDSLQXNRFGU-KBXCAEBGSA-N 2 2 313.445 3.087 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820260 264102812 /nfs/dbraw/zinc/10/28/12/264102812.db2.gz HGGBDSLQXNRFGU-KBXCAEBGSA-N 2 2 313.445 3.087 20 0 DGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346853507 264109276 /nfs/dbraw/zinc/10/92/76/264109276.db2.gz SSRXPXHNXVLRME-MJGOQNOKSA-N 2 2 320.477 3.194 20 0 DGADLP CCCCCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346853507 264109278 /nfs/dbraw/zinc/10/92/78/264109278.db2.gz SSRXPXHNXVLRME-MJGOQNOKSA-N 2 2 320.477 3.194 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(OCCC(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000346857702 264110388 /nfs/dbraw/zinc/11/03/88/264110388.db2.gz XNUQVMWBLSRTDI-IEBWSBKVSA-N 2 2 320.477 3.050 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(OCCC(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000346857702 264110389 /nfs/dbraw/zinc/11/03/89/264110389.db2.gz XNUQVMWBLSRTDI-IEBWSBKVSA-N 2 2 320.477 3.050 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OC(C)C ZINC000347014193 264139846 /nfs/dbraw/zinc/13/98/46/264139846.db2.gz IHEAHGFNHDDLLU-GOEBONIOSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OC(C)C ZINC000347014193 264139848 /nfs/dbraw/zinc/13/98/48/264139848.db2.gz IHEAHGFNHDDLLU-GOEBONIOSA-N 2 2 306.450 3.184 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000347011195 264140222 /nfs/dbraw/zinc/14/02/22/264140222.db2.gz UEYGGRAMGAVLQK-CJNGLKHVSA-N 2 2 307.869 3.109 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000347011195 264140225 /nfs/dbraw/zinc/14/02/25/264140225.db2.gz UEYGGRAMGAVLQK-CJNGLKHVSA-N 2 2 307.869 3.109 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000347011196 264140456 /nfs/dbraw/zinc/14/04/56/264140456.db2.gz UEYGGRAMGAVLQK-CZUORRHYSA-N 2 2 307.869 3.109 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000347011196 264140458 /nfs/dbraw/zinc/14/04/58/264140458.db2.gz UEYGGRAMGAVLQK-CZUORRHYSA-N 2 2 307.869 3.109 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000347018847 264141352 /nfs/dbraw/zinc/14/13/52/264141352.db2.gz LHTAXCCFEJLGLI-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000347018847 264141355 /nfs/dbraw/zinc/14/13/55/264141355.db2.gz LHTAXCCFEJLGLI-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000347019885 264141448 /nfs/dbraw/zinc/14/14/48/264141448.db2.gz LXOHUUVZSKTTSV-KRWDZBQOSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000347019885 264141449 /nfs/dbraw/zinc/14/14/49/264141449.db2.gz LXOHUUVZSKTTSV-KRWDZBQOSA-N 2 2 314.404 3.328 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347035413 264144502 /nfs/dbraw/zinc/14/45/02/264144502.db2.gz GRNCGDQMLRKEEJ-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347035413 264144503 /nfs/dbraw/zinc/14/45/03/264144503.db2.gz GRNCGDQMLRKEEJ-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036645 264145385 /nfs/dbraw/zinc/14/53/85/264145385.db2.gz HDXOHXCHXGLMJC-DYVFJYSZSA-N 2 2 318.852 3.227 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036645 264145386 /nfs/dbraw/zinc/14/53/86/264145386.db2.gz HDXOHXCHXGLMJC-DYVFJYSZSA-N 2 2 318.852 3.227 20 0 DGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000347058284 264149096 /nfs/dbraw/zinc/14/90/96/264149096.db2.gz WGBREGUPESAUSW-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000347058284 264149099 /nfs/dbraw/zinc/14/90/99/264149099.db2.gz WGBREGUPESAUSW-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000347091815 264154739 /nfs/dbraw/zinc/15/47/39/264154739.db2.gz GPYGCASOIMQBDK-SFHVURJKSA-N 2 2 312.461 3.309 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000347091815 264154740 /nfs/dbraw/zinc/15/47/40/264154740.db2.gz GPYGCASOIMQBDK-SFHVURJKSA-N 2 2 312.461 3.309 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(SC)cc1OC ZINC000347093239 264155691 /nfs/dbraw/zinc/15/56/91/264155691.db2.gz GTPGIKLYHSWHOP-GXTWGEPZSA-N 2 2 324.490 3.127 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(SC)cc1OC ZINC000347093239 264155693 /nfs/dbraw/zinc/15/56/93/264155693.db2.gz GTPGIKLYHSWHOP-GXTWGEPZSA-N 2 2 324.490 3.127 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347127266 264161404 /nfs/dbraw/zinc/16/14/04/264161404.db2.gz UYOJKTFZNLSGDT-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347127266 264161406 /nfs/dbraw/zinc/16/14/06/264161406.db2.gz UYOJKTFZNLSGDT-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347187664 264171990 /nfs/dbraw/zinc/17/19/90/264171990.db2.gz PSQIXHFFQLBEFZ-MRXNPFEDSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000347187664 264171991 /nfs/dbraw/zinc/17/19/91/264171991.db2.gz PSQIXHFFQLBEFZ-MRXNPFEDSA-N 2 2 313.445 3.306 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195973 264173921 /nfs/dbraw/zinc/17/39/21/264173921.db2.gz HOBSBYJKSUPJEO-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195973 264173923 /nfs/dbraw/zinc/17/39/23/264173923.db2.gz HOBSBYJKSUPJEO-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)s1 ZINC000347660630 264262225 /nfs/dbraw/zinc/26/22/25/264262225.db2.gz XQWCHMJHUFBCBI-OAHLLOKOSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](c3ccccc3)C2)s1 ZINC000347660630 264262228 /nfs/dbraw/zinc/26/22/28/264262228.db2.gz XQWCHMJHUFBCBI-OAHLLOKOSA-N 2 2 301.459 3.194 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cn1cccn1 ZINC000347726817 264274156 /nfs/dbraw/zinc/27/41/56/264274156.db2.gz BTNMXLOYKXJKTA-IEBWSBKVSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cn1cccn1 ZINC000347726817 264274157 /nfs/dbraw/zinc/27/41/57/264274157.db2.gz BTNMXLOYKXJKTA-IEBWSBKVSA-N 2 2 314.477 3.018 20 0 DGADLP C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347766083 264279992 /nfs/dbraw/zinc/27/99/92/264279992.db2.gz DOYXXOYSHAMYDD-LBPRGKRZSA-N 2 2 305.447 3.103 20 0 DGADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347766083 264279994 /nfs/dbraw/zinc/27/99/94/264279994.db2.gz DOYXXOYSHAMYDD-LBPRGKRZSA-N 2 2 305.447 3.103 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000347823691 264290396 /nfs/dbraw/zinc/29/03/96/264290396.db2.gz VMFIRRLZDPKBSB-CQSZACIVSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000347823691 264290397 /nfs/dbraw/zinc/29/03/97/264290397.db2.gz VMFIRRLZDPKBSB-CQSZACIVSA-N 2 2 319.449 3.333 20 0 DGADLP CC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)[C@@H](CC)CN1C(C)=O ZINC000347857527 264296724 /nfs/dbraw/zinc/29/67/24/264296724.db2.gz OXXJQXWANYAPLL-RBUKOAKNSA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)[C@@H](CC)CN1C(C)=O ZINC000347857527 264296725 /nfs/dbraw/zinc/29/67/25/264296725.db2.gz OXXJQXWANYAPLL-RBUKOAKNSA-N 2 2 317.477 3.044 20 0 DGADLP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347866102 264297976 /nfs/dbraw/zinc/29/79/76/264297976.db2.gz CATKMBHNBPEBOJ-ZDUSSCGKSA-N 2 2 301.459 3.152 20 0 DGADLP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347866102 264297979 /nfs/dbraw/zinc/29/79/79/264297979.db2.gz CATKMBHNBPEBOJ-ZDUSSCGKSA-N 2 2 301.459 3.152 20 0 DGADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000348087888 264337225 /nfs/dbraw/zinc/33/72/25/264337225.db2.gz WSQAUPAQAOKCNG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000348087888 264337227 /nfs/dbraw/zinc/33/72/27/264337227.db2.gz WSQAUPAQAOKCNG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1OC ZINC000348087888 264337229 /nfs/dbraw/zinc/33/72/29/264337229.db2.gz WSQAUPAQAOKCNG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1OC ZINC000348087888 264337230 /nfs/dbraw/zinc/33/72/30/264337230.db2.gz WSQAUPAQAOKCNG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000348092166 264338434 /nfs/dbraw/zinc/33/84/34/264338434.db2.gz NHXYIEUAKMGBEU-ZWKOTPCHSA-N 2 2 320.502 3.100 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000348137723 264349993 /nfs/dbraw/zinc/34/99/93/264349993.db2.gz CRCMDLONGQFOEI-INIZCTEOSA-N 2 2 321.428 3.254 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000348208755 264365727 /nfs/dbraw/zinc/36/57/27/264365727.db2.gz UULOXKHLPYVMMC-LBPRGKRZSA-N 2 2 310.429 3.136 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348243102 264373068 /nfs/dbraw/zinc/37/30/68/264373068.db2.gz LEZQXYLQFIANKG-NUJGCVRESA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348243102 264373070 /nfs/dbraw/zinc/37/30/70/264373070.db2.gz LEZQXYLQFIANKG-NUJGCVRESA-N 2 2 319.518 3.025 20 0 DGADLP C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253699 264375370 /nfs/dbraw/zinc/37/53/70/264375370.db2.gz LGBXGSUCLLPBTB-XJKSGUPXSA-N 2 2 316.474 3.183 20 0 DGADLP C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253699 264375372 /nfs/dbraw/zinc/37/53/72/264375372.db2.gz LGBXGSUCLLPBTB-XJKSGUPXSA-N 2 2 316.474 3.183 20 0 DGADLP Cc1cnc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302645 264385694 /nfs/dbraw/zinc/38/56/94/264385694.db2.gz CPVPXNGVXAPBAF-RYQLBKOJSA-N 2 2 311.429 3.108 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302645 264385696 /nfs/dbraw/zinc/38/56/96/264385696.db2.gz CPVPXNGVXAPBAF-RYQLBKOJSA-N 2 2 311.429 3.108 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302645 264385699 /nfs/dbraw/zinc/38/56/99/264385699.db2.gz CPVPXNGVXAPBAF-RYQLBKOJSA-N 2 2 311.429 3.108 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302645 264385701 /nfs/dbraw/zinc/38/57/01/264385701.db2.gz CPVPXNGVXAPBAF-RYQLBKOJSA-N 2 2 311.429 3.108 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000348306645 264386099 /nfs/dbraw/zinc/38/60/99/264386099.db2.gz ZCJSAGLMKMMESX-KGLIPLIRSA-N 2 2 314.424 3.268 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000348355085 264395635 /nfs/dbraw/zinc/39/56/35/264395635.db2.gz JXKQIXRURMXXHB-PMACEKPBSA-N 2 2 321.468 3.208 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)c1 ZINC000352319807 265001068 /nfs/dbraw/zinc/00/10/68/265001068.db2.gz LPQCOTYYMZDOAK-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)c1 ZINC000352344255 265009152 /nfs/dbraw/zinc/00/91/52/265009152.db2.gz DFUMAYCTKIEDIJ-RDJZCZTQSA-N 2 2 311.429 3.429 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352451400 265053561 /nfs/dbraw/zinc/05/35/61/265053561.db2.gz WOBLBCIKVQKNNH-VHUCWBOISA-N 2 2 300.446 3.063 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000352451400 265053564 /nfs/dbraw/zinc/05/35/64/265053564.db2.gz WOBLBCIKVQKNNH-VHUCWBOISA-N 2 2 300.446 3.063 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494361 265068578 /nfs/dbraw/zinc/06/85/78/265068578.db2.gz ASIKPUUIKDSHRN-YZVOILCLSA-N 2 2 311.429 3.475 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494361 265068582 /nfs/dbraw/zinc/06/85/82/265068582.db2.gz ASIKPUUIKDSHRN-YZVOILCLSA-N 2 2 311.429 3.475 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000352517378 265075937 /nfs/dbraw/zinc/07/59/37/265075937.db2.gz CRHVMQYSRZONKX-AWEZNQCLSA-N 2 2 321.371 3.323 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000352517378 265075942 /nfs/dbraw/zinc/07/59/42/265075942.db2.gz CRHVMQYSRZONKX-AWEZNQCLSA-N 2 2 321.371 3.323 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(Cc2ccccc2)n1 ZINC000352518102 265077393 /nfs/dbraw/zinc/07/73/93/265077393.db2.gz GVPVEOWAWLHPCT-KRWDZBQOSA-N 2 2 315.486 3.437 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(Cc2ccccc2)n1 ZINC000352518102 265077395 /nfs/dbraw/zinc/07/73/95/265077395.db2.gz GVPVEOWAWLHPCT-KRWDZBQOSA-N 2 2 315.486 3.437 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)sc2c1 ZINC000352526784 265079748 /nfs/dbraw/zinc/07/97/48/265079748.db2.gz RRTOTUURGUIZOB-INIZCTEOSA-N 2 2 305.422 3.011 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)sc2c1 ZINC000352526784 265079749 /nfs/dbraw/zinc/07/97/49/265079749.db2.gz RRTOTUURGUIZOB-INIZCTEOSA-N 2 2 305.422 3.011 20 0 DGADLP c1nc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000352534342 265081977 /nfs/dbraw/zinc/08/19/77/265081977.db2.gz FPHGVFJYLAEIHM-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP c1nc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000352534342 265081980 /nfs/dbraw/zinc/08/19/80/265081980.db2.gz FPHGVFJYLAEIHM-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606117 265102717 /nfs/dbraw/zinc/10/27/17/265102717.db2.gz UYCKPCQPAFGFAH-RDJZCZTQSA-N 2 2 319.493 3.326 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606117 265102722 /nfs/dbraw/zinc/10/27/22/265102722.db2.gz UYCKPCQPAFGFAH-RDJZCZTQSA-N 2 2 319.493 3.326 20 0 DGADLP C[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000352633335 265110880 /nfs/dbraw/zinc/11/08/80/265110880.db2.gz MSFGEYSPKSQXGL-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@H]1COCC[N@H+]1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000352633335 265110882 /nfs/dbraw/zinc/11/08/82/265110882.db2.gz MSFGEYSPKSQXGL-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720654 265140439 /nfs/dbraw/zinc/14/04/39/265140439.db2.gz MJGAIVNWSTZQPZ-QAPCUYQASA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720654 265140440 /nfs/dbraw/zinc/14/04/40/265140440.db2.gz MJGAIVNWSTZQPZ-QAPCUYQASA-N 2 2 308.441 3.223 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3sccc32)s1 ZINC000352742586 265149342 /nfs/dbraw/zinc/14/93/42/265149342.db2.gz OOLSZQKDLCJEBA-ZDUSSCGKSA-N 2 2 307.488 3.433 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccccc3F)CC2)s1 ZINC000352748447 265150400 /nfs/dbraw/zinc/15/04/00/265150400.db2.gz INMVTUFIWWONLZ-UHFFFAOYSA-N 2 2 305.422 3.123 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352762348 265155870 /nfs/dbraw/zinc/15/58/70/265155870.db2.gz FMRYXBPLQRIUFW-HXUWFJFHSA-N 2 2 309.457 3.398 20 0 DGADLP Cc1cccc(O[C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352762174 265156261 /nfs/dbraw/zinc/15/62/61/265156261.db2.gz DDHSIXKDQSWDAS-AWEZNQCLSA-N 2 2 319.474 3.070 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812082 265176848 /nfs/dbraw/zinc/17/68/48/265176848.db2.gz YOHUJEGKGWKSFF-VCBZYWHSSA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812082 265176852 /nfs/dbraw/zinc/17/68/52/265176852.db2.gz YOHUJEGKGWKSFF-VCBZYWHSSA-N 2 2 310.445 3.006 20 0 DGADLP CCCOc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352821512 265180885 /nfs/dbraw/zinc/18/08/85/265180885.db2.gz PVTANUGWPLPLIP-UHFFFAOYSA-N 2 2 319.474 3.283 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000352857122 265200966 /nfs/dbraw/zinc/20/09/66/265200966.db2.gz IHPYXVDRWRNAER-MWPJJREVSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000352857122 265200968 /nfs/dbraw/zinc/20/09/68/265200968.db2.gz IHPYXVDRWRNAER-MWPJJREVSA-N 2 2 302.462 3.309 20 0 DGADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000352855441 265200980 /nfs/dbraw/zinc/20/09/80/265200980.db2.gz XMHFTTJHLQNWTD-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000352930517 265235463 /nfs/dbraw/zinc/23/54/63/265235463.db2.gz SGXLPIZTJMRPQI-LJQANCHMSA-N 2 2 324.403 3.184 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931196 265235721 /nfs/dbraw/zinc/23/57/21/265235721.db2.gz NCGIPODRFCYKEA-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931196 265235722 /nfs/dbraw/zinc/23/57/22/265235722.db2.gz NCGIPODRFCYKEA-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931196 265235725 /nfs/dbraw/zinc/23/57/25/265235725.db2.gz NCGIPODRFCYKEA-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931196 265235727 /nfs/dbraw/zinc/23/57/27/265235727.db2.gz NCGIPODRFCYKEA-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353023979 265269417 /nfs/dbraw/zinc/26/94/17/265269417.db2.gz GSFVZVRSIUUYGJ-AWEZNQCLSA-N 2 2 321.371 3.242 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353023979 265269418 /nfs/dbraw/zinc/26/94/18/265269418.db2.gz GSFVZVRSIUUYGJ-AWEZNQCLSA-N 2 2 321.371 3.242 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353237234 265356611 /nfs/dbraw/zinc/35/66/11/265356611.db2.gz SIDPPPJHWMAJJN-ACJLOTCBSA-N 2 2 300.446 3.244 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000353237234 265356612 /nfs/dbraw/zinc/35/66/12/265356612.db2.gz SIDPPPJHWMAJJN-ACJLOTCBSA-N 2 2 300.446 3.244 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)o1 ZINC000353239027 265358592 /nfs/dbraw/zinc/35/85/92/265358592.db2.gz HOJLFPLUINWHCS-LLVKDONJSA-N 2 2 314.414 3.082 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)s2)o1 ZINC000353239027 265358593 /nfs/dbraw/zinc/35/85/93/265358593.db2.gz HOJLFPLUINWHCS-LLVKDONJSA-N 2 2 314.414 3.082 20 0 DGADLP c1cn2c(cccc2C[NH2+]C[C@H]2SCCc3ccccc32)[nH+]1 ZINC000354271214 265724177 /nfs/dbraw/zinc/72/41/77/265724177.db2.gz KRWILBNGCZRSIJ-QGZVFWFLSA-N 2 2 309.438 3.455 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000355372935 266054702 /nfs/dbraw/zinc/05/47/02/266054702.db2.gz RBEKSHNWNSIRIX-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000355372935 266054704 /nfs/dbraw/zinc/05/47/04/266054704.db2.gz RBEKSHNWNSIRIX-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747034 266171931 /nfs/dbraw/zinc/17/19/31/266171931.db2.gz HAOFYEKNUWJGFU-ZBFHGGJFSA-N 2 2 308.441 3.087 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747034 266171933 /nfs/dbraw/zinc/17/19/33/266171933.db2.gz HAOFYEKNUWJGFU-ZBFHGGJFSA-N 2 2 308.441 3.087 20 0 DGADLP C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000356087775 266279857 /nfs/dbraw/zinc/27/98/57/266279857.db2.gz BMMBJNOZCAIMKD-GFCCVEGCSA-N 2 2 316.367 3.185 20 0 DGADLP C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000356087775 266279862 /nfs/dbraw/zinc/27/98/62/266279862.db2.gz BMMBJNOZCAIMKD-GFCCVEGCSA-N 2 2 316.367 3.185 20 0 DGADLP C[NH+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000356087775 266279864 /nfs/dbraw/zinc/27/98/64/266279864.db2.gz BMMBJNOZCAIMKD-GFCCVEGCSA-N 2 2 316.367 3.185 20 0 DGADLP C[NH+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000356087775 266279868 /nfs/dbraw/zinc/27/98/68/266279868.db2.gz BMMBJNOZCAIMKD-GFCCVEGCSA-N 2 2 316.367 3.185 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000356250641 266331483 /nfs/dbraw/zinc/33/14/83/266331483.db2.gz HECOIMWJRHTWJB-GOSISDBHSA-N 2 2 312.413 3.176 20 0 DGADLP COc1ccccc1CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000356250641 266331490 /nfs/dbraw/zinc/33/14/90/266331490.db2.gz HECOIMWJRHTWJB-GOSISDBHSA-N 2 2 312.413 3.176 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c[nH+]1 ZINC000356376271 266372415 /nfs/dbraw/zinc/37/24/15/266372415.db2.gz ZPAQQDNIPNBSNY-HXUWFJFHSA-N 2 2 321.468 3.460 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c[nH+]1 ZINC000356376271 266372419 /nfs/dbraw/zinc/37/24/19/266372419.db2.gz ZPAQQDNIPNBSNY-HXUWFJFHSA-N 2 2 321.468 3.460 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c[nH+]1 ZINC000356373962 266372630 /nfs/dbraw/zinc/37/26/30/266372630.db2.gz WGACHCVGPQENAU-VQTJNVASSA-N 2 2 310.441 3.078 20 0 DGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000172767806 432236167 /nfs/dbraw/zinc/23/61/67/432236167.db2.gz AHBBNOVMBPJBLI-UHFFFAOYSA-N 2 2 323.400 3.425 20 0 DGADLP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC000182967736 432246944 /nfs/dbraw/zinc/24/69/44/432246944.db2.gz NGCHTBADTIUOOW-INIZCTEOSA-N 2 2 322.840 3.159 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479338 271026555 /nfs/dbraw/zinc/02/65/55/271026555.db2.gz KZZMYKABIVXCCK-IUODEOHRSA-N 2 2 324.490 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479338 271026558 /nfs/dbraw/zinc/02/65/58/271026558.db2.gz KZZMYKABIVXCCK-IUODEOHRSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479338 271026563 /nfs/dbraw/zinc/02/65/63/271026563.db2.gz KZZMYKABIVXCCK-IUODEOHRSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479338 271026565 /nfs/dbraw/zinc/02/65/65/271026565.db2.gz KZZMYKABIVXCCK-IUODEOHRSA-N 2 2 324.490 3.148 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(NCc2c[nH+]c3c(C)cccn23)cn1 ZINC000367610939 271051089 /nfs/dbraw/zinc/05/10/89/271051089.db2.gz XXDLLDLJPDAGKL-UHFFFAOYSA-N 2 2 318.384 3.144 20 0 DGADLP Cc1noc(C2(C)CC[NH+](CCCc3c[nH+]ccc3C)CC2)n1 ZINC000368022377 271115969 /nfs/dbraw/zinc/11/59/69/271115969.db2.gz NSHGYTVWAMSSDV-UHFFFAOYSA-N 2 2 314.433 3.068 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC000368036654 271119868 /nfs/dbraw/zinc/11/98/68/271119868.db2.gz ASPHEJUAFOEHOE-GPANFISMSA-N 2 2 320.481 3.114 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC000368036654 271119871 /nfs/dbraw/zinc/11/98/71/271119871.db2.gz ASPHEJUAFOEHOE-GPANFISMSA-N 2 2 320.481 3.114 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000369035083 271233989 /nfs/dbraw/zinc/23/39/89/271233989.db2.gz CSWHMAHBWJNCDU-QFBILLFUSA-N 2 2 320.440 3.259 20 0 DGADLP Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000369081197 271238360 /nfs/dbraw/zinc/23/83/60/271238360.db2.gz AURAOMMOOVMPPO-GOSISDBHSA-N 2 2 322.412 3.216 20 0 DGADLP Cc1csc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000373237141 271615150 /nfs/dbraw/zinc/61/51/50/271615150.db2.gz OBEQMHSZYNPRQJ-UHFFFAOYSA-N 2 2 303.431 3.198 20 0 DGADLP C[NH2+]CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423222949 273962811 /nfs/dbraw/zinc/96/28/11/273962811.db2.gz DHQGPWSXPGTVKW-TVQRCGJNSA-N 2 2 315.280 3.041 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423274025 273555115 /nfs/dbraw/zinc/55/51/15/273555115.db2.gz LJVRTDXXQSKOIJ-ZJUUUORDSA-N 2 2 303.269 3.071 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nccn1C ZINC000183084414 432256926 /nfs/dbraw/zinc/25/69/26/432256926.db2.gz BSBLFQLSYIOBSF-RYRKJORJSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nccn1C ZINC000183084414 432256929 /nfs/dbraw/zinc/25/69/29/432256929.db2.gz BSBLFQLSYIOBSF-RYRKJORJSA-N 2 2 312.461 3.124 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422883078 274110810 /nfs/dbraw/zinc/11/08/10/274110810.db2.gz ULSMVUXWEMGEGM-ABAIWWIYSA-N 2 2 316.367 3.334 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247991428 432259593 /nfs/dbraw/zinc/25/95/93/432259593.db2.gz JLSMCRQYLJJSNR-KFWWJZLASA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247991428 432259596 /nfs/dbraw/zinc/25/95/96/432259596.db2.gz JLSMCRQYLJJSNR-KFWWJZLASA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247991428 432259602 /nfs/dbraw/zinc/25/96/02/432259602.db2.gz JLSMCRQYLJJSNR-KFWWJZLASA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247991428 432259607 /nfs/dbraw/zinc/25/96/07/432259607.db2.gz JLSMCRQYLJJSNR-KFWWJZLASA-N 2 2 305.466 3.449 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCCCO3)c2ccccc21 ZINC000422993904 274960438 /nfs/dbraw/zinc/96/04/38/274960438.db2.gz UGDCVDMONPKPAZ-SJORKVTESA-N 2 2 310.397 3.082 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000340506235 275061196 /nfs/dbraw/zinc/06/11/96/275061196.db2.gz DNDCJLFRNRNQIE-VQIMIIECSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000340506235 275061197 /nfs/dbraw/zinc/06/11/97/275061197.db2.gz DNDCJLFRNRNQIE-VQIMIIECSA-N 2 2 300.446 3.376 20 0 DGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423563890 275371267 /nfs/dbraw/zinc/37/12/67/275371267.db2.gz RRBSMXICZHOOCC-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883321 276073192 /nfs/dbraw/zinc/07/31/92/276073192.db2.gz JTHGLLUORNCPRE-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883321 276073193 /nfs/dbraw/zinc/07/31/93/276073193.db2.gz JTHGLLUORNCPRE-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883321 276073194 /nfs/dbraw/zinc/07/31/94/276073194.db2.gz JTHGLLUORNCPRE-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883321 276073195 /nfs/dbraw/zinc/07/31/95/276073195.db2.gz JTHGLLUORNCPRE-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP CC[N@@H+]1CCO[C@H](CNc2cccc(C)[nH+]2)[C@@H]1c1ccccc1 ZINC000343319813 276212018 /nfs/dbraw/zinc/21/20/18/276212018.db2.gz JZYRVQLQZIBBFK-MJGOQNOKSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@H](CNc2cccc(C)[nH+]2)[C@@H]1c1ccccc1 ZINC000343319813 276212020 /nfs/dbraw/zinc/21/20/20/276212020.db2.gz JZYRVQLQZIBBFK-MJGOQNOKSA-N 2 2 311.429 3.264 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C[C@H]1OC ZINC000344118077 276218006 /nfs/dbraw/zinc/21/80/06/276218006.db2.gz YJPHIYIENJAGKP-BZUAXINKSA-N 2 2 305.466 3.252 20 0 DGADLP C[C@H](C[NH+]1CCCCCC1)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000475743420 429716152 /nfs/dbraw/zinc/71/61/52/429716152.db2.gz YMMONSNRLUXCNG-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP CC(C)c1nc2[nH]ccc2c(N[C@@H](C)C2CC[NH+](C)CC2)[nH+]1 ZINC000631117903 429974289 /nfs/dbraw/zinc/97/42/89/429974289.db2.gz UATDMJFAIHGVHN-LBPRGKRZSA-N 2 2 301.438 3.224 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449583627 276892247 /nfs/dbraw/zinc/89/22/47/276892247.db2.gz ILPZXMPCVFGIHP-CYBMUJFWSA-N 2 2 321.346 3.342 20 0 DGADLP CC(C)(C[NH2+]C[C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000278407239 277302621 /nfs/dbraw/zinc/30/26/21/277302621.db2.gz OPAHQCJPNYGRGI-OAHLLOKOSA-N 2 2 304.503 3.166 20 0 DGADLP CC(C)(C[NH2+]C[C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000278407239 277302622 /nfs/dbraw/zinc/30/26/22/277302622.db2.gz OPAHQCJPNYGRGI-OAHLLOKOSA-N 2 2 304.503 3.166 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000236600802 277584991 /nfs/dbraw/zinc/58/49/91/277584991.db2.gz ASGNLMPBOSTWCY-UHFFFAOYSA-N 2 2 319.468 3.388 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000422939941 277592537 /nfs/dbraw/zinc/59/25/37/277592537.db2.gz MMOWMFIFNWOPFQ-BBRMVZONSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]C1 ZINC000423085253 277627111 /nfs/dbraw/zinc/62/71/11/277627111.db2.gz JOCHVGLNALGDOB-UTLUCORTSA-N 2 2 307.385 3.201 20 0 DGADLP CCc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000603386266 430548512 /nfs/dbraw/zinc/54/85/12/430548512.db2.gz OANIHFBMZHFQOZ-AWEZNQCLSA-N 2 2 316.474 3.425 20 0 DGADLP CCc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000603386266 430548517 /nfs/dbraw/zinc/54/85/17/430548517.db2.gz OANIHFBMZHFQOZ-AWEZNQCLSA-N 2 2 316.474 3.425 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)CC2 ZINC000162592069 277966357 /nfs/dbraw/zinc/96/63/57/277966357.db2.gz VWOCEUUZOPWXEI-MAUKXSAKSA-N 2 2 302.462 3.017 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000185295700 278047397 /nfs/dbraw/zinc/04/73/97/278047397.db2.gz QYIIHURDPJQCLR-CVEARBPZSA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000185295700 278047399 /nfs/dbraw/zinc/04/73/99/278047399.db2.gz QYIIHURDPJQCLR-CVEARBPZSA-N 2 2 314.473 3.332 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422970242 278226831 /nfs/dbraw/zinc/22/68/31/278226831.db2.gz WAMPUSSOAOIGFP-MORSLUCNSA-N 2 2 314.404 3.197 20 0 DGADLP C[C@@H](C[NH3+])[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000414937103 278250458 /nfs/dbraw/zinc/25/04/58/278250458.db2.gz CWEDKHURGCXCCH-LBPRGKRZSA-N 2 2 320.868 3.260 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423060163 278294453 /nfs/dbraw/zinc/29/44/53/278294453.db2.gz HJHALEALYRLAFJ-GMXVVIOVSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccnn1C ZINC000192862984 278339575 /nfs/dbraw/zinc/33/95/75/278339575.db2.gz YFHBYNJOOQCSBJ-LSDHHAIUSA-N 2 2 300.450 3.200 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340235749 278385119 /nfs/dbraw/zinc/38/51/19/278385119.db2.gz LVTMQLHMRMSMKG-ZAWLATJESA-N 2 2 302.462 3.369 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340235749 278385120 /nfs/dbraw/zinc/38/51/20/278385120.db2.gz LVTMQLHMRMSMKG-ZAWLATJESA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091283085 278870057 /nfs/dbraw/zinc/87/00/57/278870057.db2.gz FUSKILVRSMFZTC-OAHLLOKOSA-N 2 2 314.477 3.344 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000248024764 279001713 /nfs/dbraw/zinc/00/17/13/279001713.db2.gz ORACYNUGETYXLB-ZIFCJYIRSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000248024764 279001714 /nfs/dbraw/zinc/00/17/14/279001714.db2.gz ORACYNUGETYXLB-ZIFCJYIRSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423333167 279297938 /nfs/dbraw/zinc/29/79/38/279297938.db2.gz RDJMVPUIDGIIIP-RWEMILLDSA-N 2 2 315.280 3.169 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000422917081 279369611 /nfs/dbraw/zinc/36/96/11/279369611.db2.gz FMBJJBIKHZZVII-JHJVBQTASA-N 2 2 316.367 3.123 20 0 DGADLP CC(C)n1ncc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cnc21 ZINC000111244526 431198848 /nfs/dbraw/zinc/19/88/48/431198848.db2.gz GJIXYQJGYQOIMQ-UHFFFAOYSA-N 2 2 324.432 3.046 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423065432 279474781 /nfs/dbraw/zinc/47/47/81/279474781.db2.gz UKUSFMKALVXFOD-AEGPPILISA-N 2 2 300.368 3.453 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1sccc1Br ZINC000069720987 431215219 /nfs/dbraw/zinc/21/52/19/431215219.db2.gz ZSZSOBNEEFBQFH-JTQLQIEISA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1sccc1Br ZINC000069720987 431215223 /nfs/dbraw/zinc/21/52/23/431215223.db2.gz ZSZSOBNEEFBQFH-JTQLQIEISA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Br ZINC000070149617 431243789 /nfs/dbraw/zinc/24/37/89/431243789.db2.gz PFAVHNAALQZGER-CYBMUJFWSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1Br ZINC000070149617 431243794 /nfs/dbraw/zinc/24/37/94/431243794.db2.gz PFAVHNAALQZGER-CYBMUJFWSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533495 431252993 /nfs/dbraw/zinc/25/29/93/431252993.db2.gz KOWLZMUIXQSQHF-JQWIXIFHSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533495 431252996 /nfs/dbraw/zinc/25/29/96/431252996.db2.gz KOWLZMUIXQSQHF-JQWIXIFHSA-N 2 2 315.230 3.147 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000072726265 431347610 /nfs/dbraw/zinc/34/76/10/431347610.db2.gz MVFQRAQMODDACA-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+](C[C@@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480738 431390821 /nfs/dbraw/zinc/39/08/21/431390821.db2.gz ULSUYKKCLQJFOZ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480738 431390830 /nfs/dbraw/zinc/39/08/30/431390830.db2.gz ULSUYKKCLQJFOZ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414360074 279768298 /nfs/dbraw/zinc/76/82/98/279768298.db2.gz FXRVUJHWGZCGKZ-SJCJKPOMSA-N 2 2 316.424 3.038 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C12CCC2 ZINC000315811151 279816427 /nfs/dbraw/zinc/81/64/27/279816427.db2.gz DLJHPUITJYRYBN-RCCFBDPRSA-N 2 2 302.462 3.227 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(SC)c(OC)c2)CC1 ZINC000077248595 431575793 /nfs/dbraw/zinc/57/57/93/431575793.db2.gz BVSPRMUWWFZRKO-UHFFFAOYSA-N 2 2 308.491 3.333 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(SC)c(OC)c2)CC1 ZINC000077248595 431575800 /nfs/dbraw/zinc/57/58/00/431575800.db2.gz BVSPRMUWWFZRKO-UHFFFAOYSA-N 2 2 308.491 3.333 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000423232898 280308587 /nfs/dbraw/zinc/30/85/87/280308587.db2.gz JAAYYMIDNFQYTN-ZIAGYGMSSA-N 2 2 309.251 3.086 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccco2)N(CC)CC)CC1 ZINC000119068269 431642566 /nfs/dbraw/zinc/64/25/66/431642566.db2.gz FFSRJGCOEKMMTK-KRWDZBQOSA-N 2 2 307.482 3.127 20 0 DGADLP C[N@H+](Cc1cccc(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119326711 431675994 /nfs/dbraw/zinc/67/59/94/431675994.db2.gz BZSZXQYXNXYOHV-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP C[N@@H+](Cc1cccc(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119326711 431676000 /nfs/dbraw/zinc/67/60/00/431676000.db2.gz BZSZXQYXNXYOHV-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119364105 431681524 /nfs/dbraw/zinc/68/15/24/431681524.db2.gz GQNGEPRWIBNOQV-KSSFIOAISA-N 2 2 324.428 3.032 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119364105 431681529 /nfs/dbraw/zinc/68/15/29/431681529.db2.gz GQNGEPRWIBNOQV-KSSFIOAISA-N 2 2 324.428 3.032 20 0 DGADLP CCC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCC1 ZINC000119422383 431689003 /nfs/dbraw/zinc/68/90/03/431689003.db2.gz YPXMBZZOANJVPR-UHFFFAOYSA-N 2 2 308.389 3.203 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC ZINC000119962688 431718634 /nfs/dbraw/zinc/71/86/34/431718634.db2.gz STCORCIJWQWHGF-NUJGCVRESA-N 2 2 320.477 3.235 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838439 431719403 /nfs/dbraw/zinc/71/94/03/431719403.db2.gz FCNPNKOEYSTCRY-MAUKXSAKSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838439 431719406 /nfs/dbraw/zinc/71/94/06/431719406.db2.gz FCNPNKOEYSTCRY-MAUKXSAKSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(CO)c2)[NH+](C)C)cc1 ZINC000121513779 431798227 /nfs/dbraw/zinc/79/82/27/431798227.db2.gz ZEMOUJGMHLJKKH-OXQOHEQNSA-N 2 2 312.457 3.441 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000121964550 431807225 /nfs/dbraw/zinc/80/72/25/431807225.db2.gz DXDGBXOXJUVYJI-ZIAGYGMSSA-N 2 2 318.465 3.268 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031993370 431772172 /nfs/dbraw/zinc/77/21/72/431772172.db2.gz KVKOHZKKLBBOSA-HNNXBMFYSA-N 2 2 315.244 3.058 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031993370 431772178 /nfs/dbraw/zinc/77/21/78/431772178.db2.gz KVKOHZKKLBBOSA-HNNXBMFYSA-N 2 2 315.244 3.058 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000037228714 431844549 /nfs/dbraw/zinc/84/45/49/431844549.db2.gz BGCMEZRFLPDJHA-NSHDSACASA-N 2 2 315.230 3.335 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000037320210 431845966 /nfs/dbraw/zinc/84/59/66/431845966.db2.gz OSWNIQFYZWFCEO-JTQLQIEISA-N 2 2 301.362 3.110 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000037320211 431846194 /nfs/dbraw/zinc/84/61/94/431846194.db2.gz OSWNIQFYZWFCEO-SNVBAGLBSA-N 2 2 301.362 3.110 20 0 DGADLP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000123646385 431871060 /nfs/dbraw/zinc/87/10/60/431871060.db2.gz CUUFZDLVHMRXKR-SFHVURJKSA-N 2 2 324.896 3.301 20 0 DGADLP CC1CC[NH+](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092561277 431909670 /nfs/dbraw/zinc/90/96/70/431909670.db2.gz YFCSRJTZSSWYMA-UHFFFAOYSA-N 2 2 324.509 3.208 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cnn(C)c2)[NH+]2CCCC2)cc1 ZINC000125005130 431911316 /nfs/dbraw/zinc/91/13/16/431911316.db2.gz BSHCYSXQEAZKPI-VQIMIIECSA-N 2 2 312.461 3.216 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CC1 ZINC000125047219 431912064 /nfs/dbraw/zinc/91/20/64/431912064.db2.gz NTQNOGXIGTXEHG-MOPGFXCFSA-N 2 2 302.462 3.147 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044529802 431875544 /nfs/dbraw/zinc/87/55/44/431875544.db2.gz HIRVXNJSJJIUKX-JTQLQIEISA-N 2 2 304.768 3.112 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044529802 431875546 /nfs/dbraw/zinc/87/55/46/431875546.db2.gz HIRVXNJSJJIUKX-JTQLQIEISA-N 2 2 304.768 3.112 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000124297269 431889154 /nfs/dbraw/zinc/88/91/54/431889154.db2.gz SICRZAGRWBXGAX-INIZCTEOSA-N 2 2 314.429 3.147 20 0 DGADLP Cc1noc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000045807063 431890134 /nfs/dbraw/zinc/89/01/34/431890134.db2.gz CEKRTNSMUYTLBE-AWEZNQCLSA-N 2 2 306.454 3.027 20 0 DGADLP C(c1nc(C2CC2)no1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048565082 431927812 /nfs/dbraw/zinc/92/78/12/431927812.db2.gz WLEVCALVGAIOSI-UHFFFAOYSA-N 2 2 318.465 3.035 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)s2)o1 ZINC000125552642 431929173 /nfs/dbraw/zinc/92/91/73/431929173.db2.gz AXSZPMRAQDUHQZ-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)s2)o1 ZINC000125552642 431929175 /nfs/dbraw/zinc/92/91/75/431929175.db2.gz AXSZPMRAQDUHQZ-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP C[C@@H](Cc1ccsc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000049156336 431937258 /nfs/dbraw/zinc/93/72/58/431937258.db2.gz SMPXYUUSUUHIHH-AWEZNQCLSA-N 2 2 301.459 3.333 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1Cl ZINC000423381856 280949400 /nfs/dbraw/zinc/94/94/00/280949400.db2.gz ZWGNTFYGOUOSFR-UFBFGSQYSA-N 2 2 305.647 3.490 20 0 DGADLP CC[C@H]1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000051350081 431950792 /nfs/dbraw/zinc/95/07/92/431950792.db2.gz IICNKQAJPCNZME-IRXDYDNUSA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@H]1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000051350081 431950795 /nfs/dbraw/zinc/95/07/95/431950795.db2.gz IICNKQAJPCNZME-IRXDYDNUSA-N 2 2 315.461 3.136 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861681 431959581 /nfs/dbraw/zinc/95/95/81/431959581.db2.gz HAHXWWKYOWHZEH-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861681 431959584 /nfs/dbraw/zinc/95/95/84/431959584.db2.gz HAHXWWKYOWHZEH-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1F ZINC000127025381 431962854 /nfs/dbraw/zinc/96/28/54/431962854.db2.gz WZDUOVKYHYPPSA-JTQLQIEISA-N 2 2 312.186 3.136 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000127804649 431981673 /nfs/dbraw/zinc/98/16/73/431981673.db2.gz GIYOIYHFKTWXRK-DOMZBBRYSA-N 2 2 301.409 3.064 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000127804649 431981675 /nfs/dbraw/zinc/98/16/75/431981675.db2.gz GIYOIYHFKTWXRK-DOMZBBRYSA-N 2 2 301.409 3.064 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)C1CCOCC1)[NH+](C)C ZINC000475091561 281390055 /nfs/dbraw/zinc/39/00/55/281390055.db2.gz JDQDWDDCHTVMQV-BXWFABGCSA-N 2 2 304.478 3.391 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(F)c1F ZINC000183267402 432275662 /nfs/dbraw/zinc/27/56/62/432275662.db2.gz JZEMLXLLBVNXKT-KBPBESRZSA-N 2 2 324.415 3.116 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000151792906 432277651 /nfs/dbraw/zinc/27/76/51/432277651.db2.gz TXONVHFRIKBBTI-QGTPRVQTSA-N 2 2 313.445 3.138 20 0 DGADLP Cc1cccn2c(C[NH2+]C[C@@](C)(O)C3CCCCC3)c[nH+]c12 ZINC000191671764 432289928 /nfs/dbraw/zinc/28/99/28/432289928.db2.gz WASCXYRKZANBCQ-GOSISDBHSA-N 2 2 301.434 3.064 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cncc(F)c1 ZINC000248447805 432292549 /nfs/dbraw/zinc/29/25/49/432292549.db2.gz NQSJSZVSROVZEN-ZRGWGRIASA-N 2 2 313.420 3.392 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cncc(F)c1 ZINC000248447805 432292552 /nfs/dbraw/zinc/29/25/52/432292552.db2.gz NQSJSZVSROVZEN-ZRGWGRIASA-N 2 2 313.420 3.392 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545761 432301618 /nfs/dbraw/zinc/30/16/18/432301618.db2.gz KQDKEJJDPGOEAL-CABCVRRESA-N 2 2 316.449 3.165 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545761 432301624 /nfs/dbraw/zinc/30/16/24/432301624.db2.gz KQDKEJJDPGOEAL-CABCVRRESA-N 2 2 316.449 3.165 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248880841 432324818 /nfs/dbraw/zinc/32/48/18/432324818.db2.gz PGMQPDDVZBDXMI-OIISXLGYSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248880841 432324821 /nfs/dbraw/zinc/32/48/21/432324821.db2.gz PGMQPDDVZBDXMI-OIISXLGYSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248880841 432324825 /nfs/dbraw/zinc/32/48/25/432324825.db2.gz PGMQPDDVZBDXMI-OIISXLGYSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248880841 432324829 /nfs/dbraw/zinc/32/48/29/432324829.db2.gz PGMQPDDVZBDXMI-OIISXLGYSA-N 2 2 322.493 3.055 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000192055554 432329546 /nfs/dbraw/zinc/32/95/46/432329546.db2.gz HWBPRYLZYGTWAT-HOTGVXAUSA-N 2 2 305.809 3.046 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000270942886 432305856 /nfs/dbraw/zinc/30/58/56/432305856.db2.gz YUYBYUYYCOKKJK-GFCCVEGCSA-N 2 2 300.431 3.494 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000270942886 432305859 /nfs/dbraw/zinc/30/58/59/432305859.db2.gz YUYBYUYYCOKKJK-GFCCVEGCSA-N 2 2 300.431 3.494 20 0 DGADLP Cc1oncc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616110 432306118 /nfs/dbraw/zinc/30/61/18/432306118.db2.gz YZESTRLECLHSGL-KXBFYZLASA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616110 432306122 /nfs/dbraw/zinc/30/61/22/432306122.db2.gz YZESTRLECLHSGL-KXBFYZLASA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616110 432306123 /nfs/dbraw/zinc/30/61/23/432306123.db2.gz YZESTRLECLHSGL-KXBFYZLASA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616110 432306128 /nfs/dbraw/zinc/30/61/28/432306128.db2.gz YZESTRLECLHSGL-KXBFYZLASA-N 2 2 313.445 3.468 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900336 432306883 /nfs/dbraw/zinc/30/68/83/432306883.db2.gz RSQTYRCUWPATSP-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900336 432306888 /nfs/dbraw/zinc/30/68/88/432306888.db2.gz RSQTYRCUWPATSP-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900336 432306893 /nfs/dbraw/zinc/30/68/93/432306893.db2.gz RSQTYRCUWPATSP-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900336 432306898 /nfs/dbraw/zinc/30/68/98/432306898.db2.gz RSQTYRCUWPATSP-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000270965985 432309250 /nfs/dbraw/zinc/30/92/50/432309250.db2.gz BTTPOKVRXPBQTM-CRAIPNDOSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000270965985 432309253 /nfs/dbraw/zinc/30/92/53/432309253.db2.gz BTTPOKVRXPBQTM-CRAIPNDOSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000270965985 432309256 /nfs/dbraw/zinc/30/92/56/432309256.db2.gz BTTPOKVRXPBQTM-CRAIPNDOSA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000270965985 432309258 /nfs/dbraw/zinc/30/92/58/432309258.db2.gz BTTPOKVRXPBQTM-CRAIPNDOSA-N 2 2 312.461 3.195 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)c1 ZINC000152178288 432311618 /nfs/dbraw/zinc/31/16/18/432311618.db2.gz MVXJVEUBJGPLOP-UHFFFAOYSA-N 2 2 317.383 3.033 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183650305 432312807 /nfs/dbraw/zinc/31/28/07/432312807.db2.gz WDIWHMUFUJEWTQ-LSDHHAIUSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183650305 432312812 /nfs/dbraw/zinc/31/28/12/432312812.db2.gz WDIWHMUFUJEWTQ-LSDHHAIUSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)n1 ZINC000152233752 432315364 /nfs/dbraw/zinc/31/53/64/432315364.db2.gz HUVDKNCTUZXMEB-CYBMUJFWSA-N 2 2 307.401 3.130 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)n1 ZINC000152233833 432315751 /nfs/dbraw/zinc/31/57/51/432315751.db2.gz HUVDKNCTUZXMEB-ZDUSSCGKSA-N 2 2 307.401 3.130 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3[nH+]c4cc(F)ccc4n3C)n2c1 ZINC000184256219 432372318 /nfs/dbraw/zinc/37/23/18/432372318.db2.gz OUFBUGYGMMLEOM-UHFFFAOYSA-N 2 2 309.348 3.281 20 0 DGADLP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271339447 432377979 /nfs/dbraw/zinc/37/79/79/432377979.db2.gz GJZFUIASGWZMCE-SCLBCKFNSA-N 2 2 313.376 3.339 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192482588 432379909 /nfs/dbraw/zinc/37/99/09/432379909.db2.gz QGZOYNKVAXJDOX-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192482588 432379913 /nfs/dbraw/zinc/37/99/13/432379913.db2.gz QGZOYNKVAXJDOX-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000153083888 432381710 /nfs/dbraw/zinc/38/17/10/432381710.db2.gz AZHCWPITAYOETL-MRXNPFEDSA-N 2 2 308.853 3.073 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000153134967 432387392 /nfs/dbraw/zinc/38/73/92/432387392.db2.gz XIQNKWLZXYLDTH-QFBILLFUSA-N 2 2 320.477 3.094 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000253191227 432387423 /nfs/dbraw/zinc/38/74/23/432387423.db2.gz LXFVNTQNKWUYGP-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000253191227 432387428 /nfs/dbraw/zinc/38/74/28/432387428.db2.gz LXFVNTQNKWUYGP-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000252889215 432387915 /nfs/dbraw/zinc/38/79/15/432387915.db2.gz CQLWVVZCYOJQKG-IINYFYTJSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000252889215 432387918 /nfs/dbraw/zinc/38/79/18/432387918.db2.gz CQLWVVZCYOJQKG-IINYFYTJSA-N 2 2 315.230 3.018 20 0 DGADLP CC[NH+](CC)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000192589880 432389849 /nfs/dbraw/zinc/38/98/49/432389849.db2.gz PTUPBTPUTQSJKS-UHFFFAOYSA-N 2 2 313.401 3.463 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184510519 432399411 /nfs/dbraw/zinc/39/94/11/432399411.db2.gz KCIKREGONTWJQX-DLBZAZTESA-N 2 2 302.466 3.126 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184510519 432399415 /nfs/dbraw/zinc/39/94/15/432399415.db2.gz KCIKREGONTWJQX-DLBZAZTESA-N 2 2 302.466 3.126 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000153337485 432401565 /nfs/dbraw/zinc/40/15/65/432401565.db2.gz AMTPLIVJBZBXNM-GJZGRUSLSA-N 2 2 302.418 3.052 20 0 DGADLP OCCCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000192935201 432429768 /nfs/dbraw/zinc/42/97/68/432429768.db2.gz YOTKTMWVGCQFOO-UHFFFAOYSA-N 2 2 310.869 3.057 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000261556758 432431199 /nfs/dbraw/zinc/43/11/99/432431199.db2.gz QZNHOZLCSLQAHE-CYBMUJFWSA-N 2 2 303.219 3.051 20 0 DGADLP CCC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)C1CC[NH2+]CC1 ZINC000261640825 432436407 /nfs/dbraw/zinc/43/64/07/432436407.db2.gz DCJIPBTZGWFKFY-UHFFFAOYSA-N 2 2 317.477 3.014 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)C1CC[NH2+]CC1 ZINC000261640825 432436411 /nfs/dbraw/zinc/43/64/11/432436411.db2.gz DCJIPBTZGWFKFY-UHFFFAOYSA-N 2 2 317.477 3.014 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@H]1c1ccccc1 ZINC000261709163 432442022 /nfs/dbraw/zinc/44/20/22/432442022.db2.gz MGWVFSIJAVRPGA-CABCVRRESA-N 2 2 320.358 3.278 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@H]1c1ccccc1 ZINC000261709163 432442025 /nfs/dbraw/zinc/44/20/25/432442025.db2.gz MGWVFSIJAVRPGA-CABCVRRESA-N 2 2 320.358 3.278 20 0 DGADLP C[C@@H](C[NH2+]Cc1cnc(-c2ccco2)s1)Cn1cc[nH+]c1 ZINC000193065272 432445814 /nfs/dbraw/zinc/44/58/14/432445814.db2.gz OHILXCZQQBAVLM-LBPRGKRZSA-N 2 2 302.403 3.026 20 0 DGADLP CCC[N@H+](CC(=O)Nc1cccc(Cl)c1C)C1CC[NH2+]CC1 ZINC000261763693 432448602 /nfs/dbraw/zinc/44/86/02/432448602.db2.gz VEUOUCORQQZKKP-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)C1CC[NH2+]CC1 ZINC000261763693 432448606 /nfs/dbraw/zinc/44/86/06/432448606.db2.gz VEUOUCORQQZKKP-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153881864 432451662 /nfs/dbraw/zinc/45/16/62/432451662.db2.gz PPOXCVBSUWFWKV-QAPCUYQASA-N 2 2 317.477 3.223 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153881864 432451664 /nfs/dbraw/zinc/45/16/64/432451664.db2.gz PPOXCVBSUWFWKV-QAPCUYQASA-N 2 2 317.477 3.223 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153881955 432451785 /nfs/dbraw/zinc/45/17/85/432451785.db2.gz PPOXCVBSUWFWKV-CRAIPNDOSA-N 2 2 317.477 3.223 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@H](C)C1 ZINC000153881955 432451787 /nfs/dbraw/zinc/45/17/87/432451787.db2.gz PPOXCVBSUWFWKV-CRAIPNDOSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@H]([NH2+]Cc1cscn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272148384 432452296 /nfs/dbraw/zinc/45/22/96/432452296.db2.gz CVDBGGDUFSXSNE-GOEBONIOSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@H]([NH2+]Cc1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148384 432452299 /nfs/dbraw/zinc/45/22/99/432452299.db2.gz CVDBGGDUFSXSNE-GOEBONIOSA-N 2 2 301.459 3.143 20 0 DGADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000261919535 432459758 /nfs/dbraw/zinc/45/97/58/432459758.db2.gz KFEXXOSIGGXKDM-LLVKDONJSA-N 2 2 303.233 3.184 20 0 DGADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000261919535 432459761 /nfs/dbraw/zinc/45/97/61/432459761.db2.gz KFEXXOSIGGXKDM-LLVKDONJSA-N 2 2 303.233 3.184 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261847104 432455256 /nfs/dbraw/zinc/45/52/56/432455256.db2.gz WHTBKFIDDRLMJF-BXUZGUMPSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261847104 432455261 /nfs/dbraw/zinc/45/52/61/432455261.db2.gz WHTBKFIDDRLMJF-BXUZGUMPSA-N 2 2 315.244 3.056 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000262057402 432471502 /nfs/dbraw/zinc/47/15/02/432471502.db2.gz DQSBYHYPGJYEDY-KBRIMQKVSA-N 2 2 308.441 3.270 20 0 DGADLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000154163407 432479021 /nfs/dbraw/zinc/47/90/21/432479021.db2.gz YLZHWRSXGKENKV-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000154163407 432479024 /nfs/dbraw/zinc/47/90/24/432479024.db2.gz YLZHWRSXGKENKV-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000154163407 432479028 /nfs/dbraw/zinc/47/90/28/432479028.db2.gz YLZHWRSXGKENKV-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000154163407 432479030 /nfs/dbraw/zinc/47/90/30/432479030.db2.gz YLZHWRSXGKENKV-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000262391917 432484789 /nfs/dbraw/zinc/48/47/89/432484789.db2.gz BIMJYXQQLIDKBW-JKSUJKDBSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000262391917 432484790 /nfs/dbraw/zinc/48/47/90/432484790.db2.gz BIMJYXQQLIDKBW-JKSUJKDBSA-N 2 2 313.470 3.160 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000262449780 432485582 /nfs/dbraw/zinc/48/55/82/432485582.db2.gz HQGPBLUAXRWSAX-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000262449780 432485586 /nfs/dbraw/zinc/48/55/86/432485586.db2.gz HQGPBLUAXRWSAX-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C2CCCCC2)cc1 ZINC000154316937 432489411 /nfs/dbraw/zinc/48/94/11/432489411.db2.gz AKXWJPJZHJDKFY-BEFAXECRSA-N 2 2 304.478 3.307 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272409580 432497224 /nfs/dbraw/zinc/49/72/24/432497224.db2.gz FNFQRYNHALVZOI-RDJZCZTQSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272409580 432497225 /nfs/dbraw/zinc/49/72/25/432497225.db2.gz FNFQRYNHALVZOI-RDJZCZTQSA-N 2 2 315.486 3.452 20 0 DGADLP CC[N@H+](CC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000262896368 432506884 /nfs/dbraw/zinc/50/68/84/432506884.db2.gz DBRQQGCQCRQFSA-GFCCVEGCSA-N 2 2 315.280 3.267 20 0 DGADLP CC[N@@H+](CC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000262896368 432506889 /nfs/dbraw/zinc/50/68/89/432506889.db2.gz DBRQQGCQCRQFSA-GFCCVEGCSA-N 2 2 315.280 3.267 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226118 432466029 /nfs/dbraw/zinc/46/60/29/432466029.db2.gz GUSFQOYOZKQJKM-INMHGKMJSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226118 432466031 /nfs/dbraw/zinc/46/60/31/432466031.db2.gz GUSFQOYOZKQJKM-INMHGKMJSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@]1(C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028479 432469227 /nfs/dbraw/zinc/46/92/27/432469227.db2.gz NVHMYQCNDVUPHD-YOEHRIQHSA-N 2 2 308.853 3.183 20 0 DGADLP C[C@]1(C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028479 432469230 /nfs/dbraw/zinc/46/92/30/432469230.db2.gz NVHMYQCNDVUPHD-YOEHRIQHSA-N 2 2 308.853 3.183 20 0 DGADLP C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272251796 432470178 /nfs/dbraw/zinc/47/01/78/432470178.db2.gz YNTBUABLEMJAOD-GDBMZVCRSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272251796 432470182 /nfs/dbraw/zinc/47/01/82/432470182.db2.gz YNTBUABLEMJAOD-GDBMZVCRSA-N 2 2 301.459 3.143 20 0 DGADLP Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185642429 432518588 /nfs/dbraw/zinc/51/85/88/432518588.db2.gz BSCOEAGDTSGULI-UHFFFAOYSA-N 2 2 319.412 3.246 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000154748570 432518657 /nfs/dbraw/zinc/51/86/57/432518657.db2.gz DGQWHRIHFPUXQS-ZOBUZTSGSA-N 2 2 305.466 3.079 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000154748570 432518662 /nfs/dbraw/zinc/51/86/62/432518662.db2.gz DGQWHRIHFPUXQS-ZOBUZTSGSA-N 2 2 305.466 3.079 20 0 DGADLP CCCCC[N@H+](CCCOC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000272603340 432531514 /nfs/dbraw/zinc/53/15/14/432531514.db2.gz RDPVCOJHPVWHCA-UHFFFAOYSA-N 2 2 316.449 3.296 20 0 DGADLP CCCCC[N@@H+](CCCOC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000272603340 432531517 /nfs/dbraw/zinc/53/15/17/432531517.db2.gz RDPVCOJHPVWHCA-UHFFFAOYSA-N 2 2 316.449 3.296 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000177281034 432606959 /nfs/dbraw/zinc/60/69/59/432606959.db2.gz JQOQSKCJCJGWRS-AWEZNQCLSA-N 2 2 310.869 3.492 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000155639999 432565865 /nfs/dbraw/zinc/56/58/65/432565865.db2.gz IYSUUQJAKPQKCV-MRXNPFEDSA-N 2 2 323.444 3.345 20 0 DGADLP CCCO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177153050 432590316 /nfs/dbraw/zinc/59/03/16/432590316.db2.gz SJNKZTGQBXGGJB-KRWDZBQOSA-N 2 2 314.433 3.048 20 0 DGADLP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177149212 432591654 /nfs/dbraw/zinc/59/16/54/432591654.db2.gz JTZMQHVKKDDNQZ-HNNXBMFYSA-N 2 2 304.397 3.387 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000177244967 432603189 /nfs/dbraw/zinc/60/31/89/432603189.db2.gz DVBMKEGOGSTEJZ-LJQANCHMSA-N 2 2 318.424 3.474 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000177244967 432603193 /nfs/dbraw/zinc/60/31/93/432603193.db2.gz DVBMKEGOGSTEJZ-LJQANCHMSA-N 2 2 318.424 3.474 20 0 DGADLP C[N@H+](CCCOc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177253588 432604026 /nfs/dbraw/zinc/60/40/26/432604026.db2.gz BWBXLKPWQUAYTK-UHFFFAOYSA-N 2 2 322.412 3.168 20 0 DGADLP C[N@@H+](CCCOc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177253588 432604032 /nfs/dbraw/zinc/60/40/32/432604032.db2.gz BWBXLKPWQUAYTK-UHFFFAOYSA-N 2 2 322.412 3.168 20 0 DGADLP Cc1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc(C)[nH+]1 ZINC000264516287 432653479 /nfs/dbraw/zinc/65/34/79/432653479.db2.gz LENBWGSKKOULRT-UHFFFAOYSA-N 2 2 311.433 3.481 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275476453 432726065 /nfs/dbraw/zinc/72/60/65/432726065.db2.gz DIEBMSUVNSVDCE-DYVFJYSZSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275476453 432726069 /nfs/dbraw/zinc/72/60/69/432726069.db2.gz DIEBMSUVNSVDCE-DYVFJYSZSA-N 2 2 319.836 3.307 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000178187337 432703693 /nfs/dbraw/zinc/70/36/93/432703693.db2.gz MBIALGWDVIZPFX-QFBILLFUSA-N 2 2 320.477 3.237 20 0 DGADLP COc1ccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265483102 432704224 /nfs/dbraw/zinc/70/42/24/432704224.db2.gz LJIYRQFMANUUNN-UHFFFAOYSA-N 2 2 315.417 3.067 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000226449275 432707303 /nfs/dbraw/zinc/70/73/03/432707303.db2.gz BDLMZZBXMXAPDC-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000226449275 432707305 /nfs/dbraw/zinc/70/73/05/432707305.db2.gz BDLMZZBXMXAPDC-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178309656 432719086 /nfs/dbraw/zinc/71/90/86/432719086.db2.gz YWANYZKYANEHAP-UONOGXRCSA-N 2 2 303.475 3.474 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000178309648 432719209 /nfs/dbraw/zinc/71/92/09/432719209.db2.gz YWANYZKYANEHAP-ZIAGYGMSSA-N 2 2 303.475 3.474 20 0 DGADLP CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000265166095 432670216 /nfs/dbraw/zinc/67/02/16/432670216.db2.gz CSDHXTBVDKQNNY-GOSISDBHSA-N 2 2 323.440 3.495 20 0 DGADLP CC(C)C[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+](C)C ZINC000187745032 432681970 /nfs/dbraw/zinc/68/19/70/432681970.db2.gz NZQVCHZIFZOEMR-IRXDYDNUSA-N 2 2 318.440 3.204 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c2ccccc21 ZINC000274629656 432691743 /nfs/dbraw/zinc/69/17/43/432691743.db2.gz YOPACURQZGRLLG-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c2ccccc21 ZINC000274629656 432691748 /nfs/dbraw/zinc/69/17/48/432691748.db2.gz YOPACURQZGRLLG-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)c1C ZINC000275753533 432747423 /nfs/dbraw/zinc/74/74/23/432747423.db2.gz RZNLNEMTPSTWHE-HNNXBMFYSA-N 2 2 317.477 3.094 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](NCC[NH+]3CCCCCC3)C2)cc1 ZINC000236585948 432749617 /nfs/dbraw/zinc/74/96/17/432749617.db2.gz HOSSXUQMBPIWBP-FQEVSTJZSA-N 2 2 315.505 3.117 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](NCC[NH+]3CCCCCC3)C2)cc1 ZINC000236585948 432749620 /nfs/dbraw/zinc/74/96/20/432749620.db2.gz HOSSXUQMBPIWBP-FQEVSTJZSA-N 2 2 315.505 3.117 20 0 DGADLP c1ccc(CN2CCC[C@H]([NH2+]CC[NH+]3CCCCCC3)C2)cc1 ZINC000236585948 432749623 /nfs/dbraw/zinc/74/96/23/432749623.db2.gz HOSSXUQMBPIWBP-FQEVSTJZSA-N 2 2 315.505 3.117 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000236597280 432749643 /nfs/dbraw/zinc/74/96/43/432749643.db2.gz MPNJKIFKPZCSIO-SFHVURJKSA-N 2 2 324.424 3.170 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000236597280 432749646 /nfs/dbraw/zinc/74/96/46/432749646.db2.gz MPNJKIFKPZCSIO-SFHVURJKSA-N 2 2 324.424 3.170 20 0 DGADLP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000296343366 288565968 /nfs/dbraw/zinc/56/59/68/288565968.db2.gz HCTDAVNPKRCENR-WQVCFCJDSA-N 2 2 318.852 3.435 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(-c2ccccn2)c1)Cn1cc[nH+]c1 ZINC000178742173 432772489 /nfs/dbraw/zinc/77/24/89/432772489.db2.gz LCUPULDIUXMCKB-INIZCTEOSA-N 2 2 306.413 3.371 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)[NH+](C)C ZINC000178372528 432727515 /nfs/dbraw/zinc/72/75/15/432727515.db2.gz DXTHQBUQSUEFOH-AWEZNQCLSA-N 2 2 302.422 3.139 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000231463535 432732567 /nfs/dbraw/zinc/73/25/67/432732567.db2.gz BJEHCGNOEZSFTR-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000231463535 432732571 /nfs/dbraw/zinc/73/25/71/432732571.db2.gz BJEHCGNOEZSFTR-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231457232 432733153 /nfs/dbraw/zinc/73/31/53/432733153.db2.gz AHWGJAWEFLOKQO-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231457232 432733156 /nfs/dbraw/zinc/73/31/56/432733156.db2.gz AHWGJAWEFLOKQO-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178433984 432734955 /nfs/dbraw/zinc/73/49/55/432734955.db2.gz OTZYUXMSLANIMS-WMLDXEAASA-N 2 2 301.434 3.320 20 0 DGADLP Cc1ccc2cc(C[NH2+]C[C@]3([NH+](C)C)CCSC3)ccc2n1 ZINC000275628791 432735731 /nfs/dbraw/zinc/73/57/31/432735731.db2.gz PWRCNIDTUHHLHG-GOSISDBHSA-N 2 2 315.486 3.070 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000161517023 432783208 /nfs/dbraw/zinc/78/32/08/432783208.db2.gz TUTKUTVUURJIAN-JTQLQIEISA-N 2 2 302.340 3.172 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000189509810 432794269 /nfs/dbraw/zinc/79/42/69/432794269.db2.gz SLKRZGZRUKILKW-GPANFISMSA-N 2 2 308.491 3.431 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000162144954 432813352 /nfs/dbraw/zinc/81/33/52/432813352.db2.gz BFDNKJLYSQNLGH-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000276523632 432813945 /nfs/dbraw/zinc/81/39/45/432813945.db2.gz GPSNVPVKDHPZSF-AWEZNQCLSA-N 2 2 323.400 3.331 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000245559509 432844594 /nfs/dbraw/zinc/84/45/94/432844594.db2.gz IFWJWEXBOOPNGG-RDJZCZTQSA-N 2 2 320.502 3.170 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000245559509 432844599 /nfs/dbraw/zinc/84/45/99/432844599.db2.gz IFWJWEXBOOPNGG-RDJZCZTQSA-N 2 2 320.502 3.170 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000277394615 432845473 /nfs/dbraw/zinc/84/54/73/432845473.db2.gz ZAMKOOOQGWMKKB-CQSZACIVSA-N 2 2 324.852 3.027 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000277394615 432845476 /nfs/dbraw/zinc/84/54/76/432845476.db2.gz ZAMKOOOQGWMKKB-CQSZACIVSA-N 2 2 324.852 3.027 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245577578 432846566 /nfs/dbraw/zinc/84/65/66/432846566.db2.gz FQZZMCGHPOUMQU-YSIASYRMSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245577578 432846569 /nfs/dbraw/zinc/84/65/69/432846569.db2.gz FQZZMCGHPOUMQU-YSIASYRMSA-N 2 2 324.468 3.281 20 0 DGADLP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120484 432847109 /nfs/dbraw/zinc/84/71/09/432847109.db2.gz NOPKZMOQUTWNCZ-NEWSRXKRSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120484 432847112 /nfs/dbraw/zinc/84/71/12/432847112.db2.gz NOPKZMOQUTWNCZ-NEWSRXKRSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120484 432847114 /nfs/dbraw/zinc/84/71/14/432847114.db2.gz NOPKZMOQUTWNCZ-NEWSRXKRSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120484 432847116 /nfs/dbraw/zinc/84/71/16/432847116.db2.gz NOPKZMOQUTWNCZ-NEWSRXKRSA-N 2 2 302.462 3.323 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000163249363 432847794 /nfs/dbraw/zinc/84/77/94/432847794.db2.gz YGVDQPVACOYOGN-UHFFFAOYSA-N 2 2 305.372 3.308 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000163249363 432847797 /nfs/dbraw/zinc/84/77/97/432847797.db2.gz YGVDQPVACOYOGN-UHFFFAOYSA-N 2 2 305.372 3.308 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163398026 432850282 /nfs/dbraw/zinc/85/02/82/432850282.db2.gz MEHDYDDLWCWLQK-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163398026 432850285 /nfs/dbraw/zinc/85/02/85/432850285.db2.gz MEHDYDDLWCWLQK-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)C[C@@H]1C[NH3+] ZINC000163404919 432851988 /nfs/dbraw/zinc/85/19/88/432851988.db2.gz OVGOJUHQTQSXTD-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C[C@@H]1C[NH3+] ZINC000163404919 432851992 /nfs/dbraw/zinc/85/19/92/432851992.db2.gz OVGOJUHQTQSXTD-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP CCOC(=O)N[C@H](C[NH2+]CCCc1c[nH+]ccc1C)CC(C)C ZINC000289373604 432950721 /nfs/dbraw/zinc/95/07/21/432950721.db2.gz AQBTUIFUIQQUKJ-KRWDZBQOSA-N 2 2 321.465 3.073 20 0 DGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)c(OC)c1 ZINC000289315065 432943506 /nfs/dbraw/zinc/94/35/06/432943506.db2.gz SMMZQZFRWIEYOR-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000289328507 432944634 /nfs/dbraw/zinc/94/46/34/432944634.db2.gz UPMCPHQZKCMXHE-UHFFFAOYSA-N 3 2 323.484 3.361 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000289328507 432944640 /nfs/dbraw/zinc/94/46/40/432944640.db2.gz UPMCPHQZKCMXHE-UHFFFAOYSA-N 3 2 323.484 3.361 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000289353083 432949140 /nfs/dbraw/zinc/94/91/40/432949140.db2.gz XSOFUEFIXRSOLX-SFHVURJKSA-N 2 2 313.445 3.342 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440377 432907765 /nfs/dbraw/zinc/90/77/65/432907765.db2.gz MPJYRVCSSDBDRW-ATZDWAIDSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440377 432907768 /nfs/dbraw/zinc/90/77/68/432907768.db2.gz MPJYRVCSSDBDRW-ATZDWAIDSA-N 2 2 324.472 3.389 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000289060755 432918359 /nfs/dbraw/zinc/91/83/59/432918359.db2.gz BVZHLPXTXQOKTO-KRWDZBQOSA-N 2 2 304.821 3.299 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000289061541 432918422 /nfs/dbraw/zinc/91/84/22/432918422.db2.gz AOHCTEOSLOJLRB-KRWDZBQOSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000289061541 432918425 /nfs/dbraw/zinc/91/84/25/432918425.db2.gz AOHCTEOSLOJLRB-KRWDZBQOSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC000155005934 292696616 /nfs/dbraw/zinc/69/66/16/292696616.db2.gz YOMXFJYKQLPYAW-UHFFFAOYSA-N 2 2 314.433 3.132 20 0 DGADLP CCn1nccc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279857581 432998371 /nfs/dbraw/zinc/99/83/71/432998371.db2.gz SGOMGVFEJJAYPW-UHFFFAOYSA-N 2 2 323.444 3.398 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000297032605 432951250 /nfs/dbraw/zinc/95/12/50/432951250.db2.gz MBHPDRSEOPWHEK-ZDUSSCGKSA-N 2 2 316.449 3.037 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000297032605 432951255 /nfs/dbraw/zinc/95/12/55/432951255.db2.gz MBHPDRSEOPWHEK-ZDUSSCGKSA-N 2 2 316.449 3.037 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000349424139 432959450 /nfs/dbraw/zinc/95/94/50/432959450.db2.gz ZHLJNHXBUOYGMM-UHFFFAOYSA-N 2 2 300.450 3.240 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000349424139 432959452 /nfs/dbraw/zinc/95/94/52/432959452.db2.gz ZHLJNHXBUOYGMM-UHFFFAOYSA-N 2 2 300.450 3.240 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000349424139 432959455 /nfs/dbraw/zinc/95/94/55/432959455.db2.gz ZHLJNHXBUOYGMM-UHFFFAOYSA-N 2 2 300.450 3.240 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000349424139 432959458 /nfs/dbraw/zinc/95/94/58/432959458.db2.gz ZHLJNHXBUOYGMM-UHFFFAOYSA-N 2 2 300.450 3.240 20 0 DGADLP CC(C)c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258517 433007987 /nfs/dbraw/zinc/00/79/87/433007987.db2.gz LLWHKTZZYSUSID-LSDHHAIUSA-N 2 2 302.466 3.762 20 0 DGADLP CC(C)c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258517 433007988 /nfs/dbraw/zinc/00/79/88/433007988.db2.gz LLWHKTZZYSUSID-LSDHHAIUSA-N 2 2 302.466 3.762 20 0 DGADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280394701 433045464 /nfs/dbraw/zinc/04/54/64/433045464.db2.gz KNYYPPXRHFBCPC-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280394701 433045466 /nfs/dbraw/zinc/04/54/66/433045466.db2.gz KNYYPPXRHFBCPC-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280394701 433045469 /nfs/dbraw/zinc/04/54/69/433045469.db2.gz KNYYPPXRHFBCPC-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000280394701 433045473 /nfs/dbraw/zinc/04/54/73/433045473.db2.gz KNYYPPXRHFBCPC-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]C[C@H]2CCSC2)c[nH+]1 ZINC000290294914 433027472 /nfs/dbraw/zinc/02/74/72/433027472.db2.gz AQTCZOSTZMKIMV-FHLIZLRMSA-N 2 2 313.470 3.454 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CC2 ZINC000297936167 433034525 /nfs/dbraw/zinc/03/45/25/433034525.db2.gz XVUQIVVKAPDGNO-LJQANCHMSA-N 2 2 324.472 3.494 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000290362728 433039255 /nfs/dbraw/zinc/03/92/55/433039255.db2.gz QUVZVUMXVBQDNE-INIZCTEOSA-N 2 2 300.377 3.357 20 0 DGADLP Fc1ccccc1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000280402510 433046101 /nfs/dbraw/zinc/04/61/01/433046101.db2.gz XXBNFUPGZOZOCL-UHFFFAOYSA-N 2 2 313.420 3.412 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000341370594 433040215 /nfs/dbraw/zinc/04/02/15/433040215.db2.gz KISBQPMWSXWBHN-UHFFFAOYSA-N 2 2 305.466 3.221 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290378928 433042252 /nfs/dbraw/zinc/04/22/52/433042252.db2.gz AYXLCEGKSZUKQG-INIZCTEOSA-N 2 2 304.825 3.120 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290378928 433042255 /nfs/dbraw/zinc/04/22/55/433042255.db2.gz AYXLCEGKSZUKQG-INIZCTEOSA-N 2 2 304.825 3.120 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000290432445 433051059 /nfs/dbraw/zinc/05/10/59/433051059.db2.gz LJURRCXXLUAEOP-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000290432445 433051062 /nfs/dbraw/zinc/05/10/62/433051062.db2.gz LJURRCXXLUAEOP-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP COc1cccc(O[C@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354392861 433054772 /nfs/dbraw/zinc/05/47/72/433054772.db2.gz CDLCVOAIYVVETM-MRXNPFEDSA-N 2 2 314.429 3.388 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)CO1 ZINC000361268731 433071902 /nfs/dbraw/zinc/07/19/02/433071902.db2.gz WYTJKIBMQVWADI-IEBWSBKVSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)CO1 ZINC000361268731 433071910 /nfs/dbraw/zinc/07/19/10/433071910.db2.gz WYTJKIBMQVWADI-IEBWSBKVSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299267 433071956 /nfs/dbraw/zinc/07/19/56/433071956.db2.gz XBIHYYFBSJHHKF-VQTJNVASSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299267 433071963 /nfs/dbraw/zinc/07/19/63/433071963.db2.gz XBIHYYFBSJHHKF-VQTJNVASSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccnc(OC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000341503115 433098753 /nfs/dbraw/zinc/09/87/53/433098753.db2.gz PKPWBILWQRYNMX-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420228567 433130208 /nfs/dbraw/zinc/13/02/08/433130208.db2.gz LSMGTQBFTGWQRZ-SOUVJXGZSA-N 2 2 316.493 3.461 20 0 DGADLP CC(C)c1nc(N2CC[C@@]3(CC[NH2+]C3)C2)cc(C(C)(C)C)[nH+]1 ZINC000420231330 433130332 /nfs/dbraw/zinc/13/03/32/433130332.db2.gz RPUBYOSAQYKTNV-GOSISDBHSA-N 2 2 302.466 3.087 20 0 DGADLP c1cncc(C[NH+]2CCC(Nc3cc4c(c[nH+]3)CCC4)CC2)c1 ZINC000354534944 433134555 /nfs/dbraw/zinc/13/45/55/433134555.db2.gz GTYCCDLVEAVDIJ-UHFFFAOYSA-N 2 2 308.429 3.042 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420263946 433140107 /nfs/dbraw/zinc/14/01/07/433140107.db2.gz UGKHRIVVLCOHGW-KBPBESRZSA-N 2 2 302.466 3.086 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO2)cc1 ZINC000298444798 433141991 /nfs/dbraw/zinc/14/19/91/433141991.db2.gz NSLPOQBZQMZPHR-RBUKOAKNSA-N 2 2 300.446 3.123 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000354565740 433150076 /nfs/dbraw/zinc/15/00/76/433150076.db2.gz HUXRJAKRHHGJQT-FQEVSTJZSA-N 2 2 310.441 3.266 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000354565740 433150081 /nfs/dbraw/zinc/15/00/81/433150081.db2.gz HUXRJAKRHHGJQT-FQEVSTJZSA-N 2 2 310.441 3.266 20 0 DGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420294249 433151063 /nfs/dbraw/zinc/15/10/63/433151063.db2.gz OFZAZOFHQVWRJG-NSHDSACASA-N 2 2 307.850 3.244 20 0 DGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420294249 433151071 /nfs/dbraw/zinc/15/10/71/433151071.db2.gz OFZAZOFHQVWRJG-NSHDSACASA-N 2 2 307.850 3.244 20 0 DGADLP COCC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304180 433151937 /nfs/dbraw/zinc/15/19/37/433151937.db2.gz LEBQUUZBJWTDJG-RYUDHWBXSA-N 2 2 304.356 3.062 20 0 DGADLP COCC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304180 433151941 /nfs/dbraw/zinc/15/19/41/433151941.db2.gz LEBQUUZBJWTDJG-RYUDHWBXSA-N 2 2 304.356 3.062 20 0 DGADLP CCC[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000446753344 433101165 /nfs/dbraw/zinc/10/11/65/433101165.db2.gz SFLYTXDHSFZZNR-QGZVFWFLSA-N 2 2 316.424 3.102 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c[nH+]1 ZINC000354473984 433103717 /nfs/dbraw/zinc/10/37/17/433103717.db2.gz ZALOEUOQTBIIPY-YLJYHZDGSA-N 2 2 312.457 3.467 20 0 DGADLP COc1ccc(O[C@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354475763 433104835 /nfs/dbraw/zinc/10/48/35/433104835.db2.gz LFTSFDCTKVXXDV-MRXNPFEDSA-N 2 2 314.429 3.388 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583792 433106658 /nfs/dbraw/zinc/10/66/58/433106658.db2.gz UTFUIUANGDFGBW-BLLLJJGKSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583792 433106664 /nfs/dbraw/zinc/10/66/64/433106664.db2.gz UTFUIUANGDFGBW-BLLLJJGKSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583792 433106666 /nfs/dbraw/zinc/10/66/66/433106666.db2.gz UTFUIUANGDFGBW-BLLLJJGKSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583792 433106673 /nfs/dbraw/zinc/10/66/73/433106673.db2.gz UTFUIUANGDFGBW-BLLLJJGKSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453347770 433106890 /nfs/dbraw/zinc/10/68/90/433106890.db2.gz FWTCRQKORNYULP-QFBILLFUSA-N 2 2 311.429 3.436 20 0 DGADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453347770 433106897 /nfs/dbraw/zinc/10/68/97/433106897.db2.gz FWTCRQKORNYULP-QFBILLFUSA-N 2 2 311.429 3.436 20 0 DGADLP CC(C)CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000361349944 433119841 /nfs/dbraw/zinc/11/98/41/433119841.db2.gz AFJWDEXXWPBLJA-WOJBJXKFSA-N 2 2 317.521 3.389 20 0 DGADLP CC(C)CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000361349944 433119852 /nfs/dbraw/zinc/11/98/52/433119852.db2.gz AFJWDEXXWPBLJA-WOJBJXKFSA-N 2 2 317.521 3.389 20 0 DGADLP CC(C)c1nc(N2CCC[C@H]([C@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420179155 433120061 /nfs/dbraw/zinc/12/00/61/433120061.db2.gz BPTQQAKMBHHJBE-KBPBESRZSA-N 2 2 304.482 3.461 20 0 DGADLP CC(C)c1nc(N2CCC[C@@H]([C@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420179160 433120392 /nfs/dbraw/zinc/12/03/92/433120392.db2.gz BPTQQAKMBHHJBE-UONOGXRCSA-N 2 2 304.482 3.461 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420308315 433155777 /nfs/dbraw/zinc/15/57/77/433155777.db2.gz CXEZNHBEVWDMME-MRXNPFEDSA-N 2 2 318.852 3.229 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420308315 433155782 /nfs/dbraw/zinc/15/57/82/433155782.db2.gz CXEZNHBEVWDMME-MRXNPFEDSA-N 2 2 318.852 3.229 20 0 DGADLP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361430844 433169703 /nfs/dbraw/zinc/16/97/03/433169703.db2.gz BCMFQEZHFBMKKK-AWEZNQCLSA-N 2 2 324.431 3.180 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000420338010 433171784 /nfs/dbraw/zinc/17/17/84/433171784.db2.gz NIHUHKZKFGHPIH-IFXJQAMLSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000420338010 433171790 /nfs/dbraw/zinc/17/17/90/433171790.db2.gz NIHUHKZKFGHPIH-IFXJQAMLSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1ccccc1C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425336570 433172783 /nfs/dbraw/zinc/17/27/83/433172783.db2.gz LWOQAHYLVWNUJE-UHFFFAOYSA-N 2 2 312.461 3.174 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C[NH3+])C1 ZINC000420347661 433174751 /nfs/dbraw/zinc/17/47/51/433174751.db2.gz ZAHGNJMUMXSHHR-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C[NH3+])C1 ZINC000420347661 433174760 /nfs/dbraw/zinc/17/47/60/433174760.db2.gz ZAHGNJMUMXSHHR-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cs2)o1 ZINC000420352579 433176984 /nfs/dbraw/zinc/17/69/84/433176984.db2.gz ASMMKSFEHCZMMA-CQSZACIVSA-N 2 2 305.447 3.189 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)c1 ZINC000420352921 433177126 /nfs/dbraw/zinc/17/71/26/433177126.db2.gz BCARVURBIFWXNX-HNNXBMFYSA-N 2 2 319.474 3.282 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCOC1 ZINC000336708193 433179420 /nfs/dbraw/zinc/17/94/20/433179420.db2.gz JPJFZDKAFIMEDW-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCOC1 ZINC000336708193 433179427 /nfs/dbraw/zinc/17/94/27/433179427.db2.gz JPJFZDKAFIMEDW-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP FC1(F)CC(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000453431339 433179452 /nfs/dbraw/zinc/17/94/52/433179452.db2.gz RNHZFBRXUZPOBZ-UHFFFAOYSA-N 2 2 309.404 3.071 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000420363934 433180080 /nfs/dbraw/zinc/18/00/80/433180080.db2.gz OLAIOOWISMBNLK-HNNXBMFYSA-N 2 2 319.449 3.427 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000420371081 433180299 /nfs/dbraw/zinc/18/02/99/433180299.db2.gz KEBWABCNBOOHKG-CQSZACIVSA-N 2 2 315.230 3.335 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000420371081 433180311 /nfs/dbraw/zinc/18/03/11/433180311.db2.gz KEBWABCNBOOHKG-CQSZACIVSA-N 2 2 315.230 3.335 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C[C@@H]1[NH3+] ZINC000420362790 433183180 /nfs/dbraw/zinc/18/31/80/433183180.db2.gz HUNOBAMLKJQWMA-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C[C@@H]1[NH3+] ZINC000420362790 433183191 /nfs/dbraw/zinc/18/31/91/433183191.db2.gz HUNOBAMLKJQWMA-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP CC[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(Cl)cc1 ZINC000420371131 433183462 /nfs/dbraw/zinc/18/34/62/433183462.db2.gz KHIRHKJDZSUQIF-GFCCVEGCSA-N 2 2 308.813 3.158 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000336713662 433183966 /nfs/dbraw/zinc/18/39/66/433183966.db2.gz NIONRTVRVKHRMP-QGZVFWFLSA-N 2 2 310.445 3.017 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000336713662 433183976 /nfs/dbraw/zinc/18/39/76/433183976.db2.gz NIONRTVRVKHRMP-QGZVFWFLSA-N 2 2 310.445 3.017 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420372634 433185263 /nfs/dbraw/zinc/18/52/63/433185263.db2.gz QHNFBWWKLUBYCH-ISTVAULSSA-N 2 2 315.230 3.064 20 0 DGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000420377693 433185352 /nfs/dbraw/zinc/18/53/52/433185352.db2.gz QAWVMJNRHWXFMQ-SFHVURJKSA-N 2 2 315.392 3.056 20 0 DGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000420377693 433185364 /nfs/dbraw/zinc/18/53/64/433185364.db2.gz QAWVMJNRHWXFMQ-SFHVURJKSA-N 2 2 315.392 3.056 20 0 DGADLP Brc1cc2c(s1)CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000336730327 433187007 /nfs/dbraw/zinc/18/70/07/433187007.db2.gz XXLGBZBIMRAVRI-LLVKDONJSA-N 2 2 315.280 3.183 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376036 433187982 /nfs/dbraw/zinc/18/79/82/433187982.db2.gz AERHPJPRENRKHJ-FUHWJXTLSA-N 2 2 311.429 3.306 20 0 DGADLP c1c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376036 433187995 /nfs/dbraw/zinc/18/79/95/433187995.db2.gz AERHPJPRENRKHJ-FUHWJXTLSA-N 2 2 311.429 3.306 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425351881 433189984 /nfs/dbraw/zinc/18/99/84/433189984.db2.gz NZNBNLZWMQEDQU-AZUAARDMSA-N 2 2 324.472 3.170 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425351881 433189988 /nfs/dbraw/zinc/18/99/88/433189988.db2.gz NZNBNLZWMQEDQU-AZUAARDMSA-N 2 2 324.472 3.170 20 0 DGADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000453451714 433193874 /nfs/dbraw/zinc/19/38/74/433193874.db2.gz RRRMVNCCPNOVCP-RTBURBONSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290876863 433195292 /nfs/dbraw/zinc/19/52/92/433195292.db2.gz KNYXNXZVUAPPFW-MSOLQXFVSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290876863 433195302 /nfs/dbraw/zinc/19/53/02/433195302.db2.gz KNYXNXZVUAPPFW-MSOLQXFVSA-N 2 2 300.446 3.356 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420399459 433197385 /nfs/dbraw/zinc/19/73/85/433197385.db2.gz HWEUPCSTHYDTJE-PMPSAXMXSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420399459 433197393 /nfs/dbraw/zinc/19/73/93/433197393.db2.gz HWEUPCSTHYDTJE-PMPSAXMXSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420405467 433197748 /nfs/dbraw/zinc/19/77/48/433197748.db2.gz MYALIVLQAFNYEA-JHJVBQTASA-N 2 2 322.403 3.409 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420405467 433197753 /nfs/dbraw/zinc/19/77/53/433197753.db2.gz MYALIVLQAFNYEA-JHJVBQTASA-N 2 2 322.403 3.409 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cncn1C(C)C ZINC000425384677 433217469 /nfs/dbraw/zinc/21/74/69/433217469.db2.gz QSKKDTHXNXGWBI-UHFFFAOYSA-N 2 2 303.454 3.135 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cncn1C(C)C ZINC000425384677 433217478 /nfs/dbraw/zinc/21/74/78/433217478.db2.gz QSKKDTHXNXGWBI-UHFFFAOYSA-N 2 2 303.454 3.135 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566366 433248624 /nfs/dbraw/zinc/24/86/24/433248624.db2.gz PZGYRISMNYNHHA-SJLPKXTDSA-N 2 2 318.509 3.231 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566366 433248633 /nfs/dbraw/zinc/24/86/33/433248633.db2.gz PZGYRISMNYNHHA-SJLPKXTDSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566366 433248641 /nfs/dbraw/zinc/24/86/41/433248641.db2.gz PZGYRISMNYNHHA-SJLPKXTDSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566366 433248646 /nfs/dbraw/zinc/24/86/46/433248646.db2.gz PZGYRISMNYNHHA-SJLPKXTDSA-N 2 2 318.509 3.231 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000291513167 433257820 /nfs/dbraw/zinc/25/78/20/433257820.db2.gz IMXDQVWAPJAARD-PMACEKPBSA-N 2 2 310.441 3.078 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000447902230 433316455 /nfs/dbraw/zinc/31/64/55/433316455.db2.gz JGJVUDRXTZOIGL-NVXWUHKLSA-N 2 2 317.477 3.114 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447902230 433316470 /nfs/dbraw/zinc/31/64/70/433316470.db2.gz JGJVUDRXTZOIGL-NVXWUHKLSA-N 2 2 317.477 3.114 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@@H](C)O1 ZINC000338201344 433282805 /nfs/dbraw/zinc/28/28/05/433282805.db2.gz ZOKDBEWKOXUVAJ-PBFPGSCMSA-N 2 2 324.415 3.041 20 0 DGADLP c1cn(C2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c[nH+]1 ZINC000350804717 433293264 /nfs/dbraw/zinc/29/32/64/433293264.db2.gz ZVONQYDAFLRIRD-UHFFFAOYSA-N 2 2 322.412 3.299 20 0 DGADLP Cc1csc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374895253 433301272 /nfs/dbraw/zinc/30/12/72/433301272.db2.gz MRQJJDNDJMMCSW-NVXWUHKLSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895253 433301284 /nfs/dbraw/zinc/30/12/84/433301284.db2.gz MRQJJDNDJMMCSW-NVXWUHKLSA-N 2 2 315.486 3.452 20 0 DGADLP c1ccc2[nH+]c(NCc3ccccc3C[NH+]3CCOCC3)[nH]c2c1 ZINC000299079044 433313151 /nfs/dbraw/zinc/31/31/51/433313151.db2.gz YBYHZCGUOYCLHA-UHFFFAOYSA-N 2 2 322.412 3.007 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000420957412 433347990 /nfs/dbraw/zinc/34/79/90/433347990.db2.gz CORMUTZKYOXVFN-UHFFFAOYSA-N 2 2 314.473 3.285 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000420957412 433348000 /nfs/dbraw/zinc/34/80/00/433348000.db2.gz CORMUTZKYOXVFN-UHFFFAOYSA-N 2 2 314.473 3.285 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000425917472 433375068 /nfs/dbraw/zinc/37/50/68/433375068.db2.gz MDWWNYCTPFZWQL-HNNXBMFYSA-N 2 2 304.434 3.360 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000425917472 433375075 /nfs/dbraw/zinc/37/50/75/433375075.db2.gz MDWWNYCTPFZWQL-HNNXBMFYSA-N 2 2 304.434 3.360 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@H]1C ZINC000414070109 433375913 /nfs/dbraw/zinc/37/59/13/433375913.db2.gz KXDAUAFQPSGKHW-MNEFBYGVSA-N 2 2 302.462 3.043 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420929950 433327161 /nfs/dbraw/zinc/32/71/61/433327161.db2.gz RESJVSLHIUGZLF-SFHVURJKSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420929950 433327171 /nfs/dbraw/zinc/32/71/71/433327171.db2.gz RESJVSLHIUGZLF-SFHVURJKSA-N 2 2 301.409 3.199 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000339065981 433335985 /nfs/dbraw/zinc/33/59/85/433335985.db2.gz DATQESGBGCWBQO-ZCNNSNEGSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000339065981 433335991 /nfs/dbraw/zinc/33/59/91/433335991.db2.gz DATQESGBGCWBQO-ZCNNSNEGSA-N 2 2 307.441 3.387 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC1(C)C ZINC000414076906 433379555 /nfs/dbraw/zinc/37/95/55/433379555.db2.gz QRMUDZFTJFRPTC-ROUUACIJSA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@H](CC(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000354978406 433387956 /nfs/dbraw/zinc/38/79/56/433387956.db2.gz XSSCYZXQCLOUGY-GFCCVEGCSA-N 2 2 301.356 3.371 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000339141322 433389220 /nfs/dbraw/zinc/38/92/20/433389220.db2.gz SCEFBEMOQLNIQM-WOJBJXKFSA-N 2 2 321.468 3.208 20 0 DGADLP CCSCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361803051 433393842 /nfs/dbraw/zinc/39/38/42/433393842.db2.gz DCZKAHCBJBALLU-OAHLLOKOSA-N 2 2 307.507 3.167 20 0 DGADLP Cc1ccccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987465 433393789 /nfs/dbraw/zinc/39/37/89/433393789.db2.gz ZRRPTTSROCZHML-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987465 433393794 /nfs/dbraw/zinc/39/37/94/433393794.db2.gz ZRRPTTSROCZHML-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425987465 433393799 /nfs/dbraw/zinc/39/37/99/433393799.db2.gz ZRRPTTSROCZHML-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425987465 433393801 /nfs/dbraw/zinc/39/38/01/433393801.db2.gz ZRRPTTSROCZHML-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1C[C@H]1C ZINC000414099441 433396131 /nfs/dbraw/zinc/39/61/31/433396131.db2.gz QIXPSJIENXIXIO-JLSDUUJJSA-N 2 2 316.493 3.459 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccn(C)n1 ZINC000414112082 433404249 /nfs/dbraw/zinc/40/42/49/433404249.db2.gz JQUPQEGTPWTOFE-HOTGVXAUSA-N 2 2 312.461 3.296 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccn(C)n1 ZINC000414112079 433405294 /nfs/dbraw/zinc/40/52/94/433405294.db2.gz JQUPQEGTPWTOFE-CVEARBPZSA-N 2 2 312.461 3.296 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000414121406 433407759 /nfs/dbraw/zinc/40/77/59/433407759.db2.gz ZLPZWZBKCZVVJH-RHSMWYFYSA-N 2 2 308.491 3.092 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCCO)CC(C)(C)C ZINC000361837808 433411903 /nfs/dbraw/zinc/41/19/03/433411903.db2.gz NKYLHLZHSPXROR-UHFFFAOYSA-N 2 2 315.461 3.411 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCCO)CC(C)(C)C ZINC000361837808 433411911 /nfs/dbraw/zinc/41/19/11/433411911.db2.gz NKYLHLZHSPXROR-UHFFFAOYSA-N 2 2 315.461 3.411 20 0 DGADLP Cc1nocc1C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000339178061 433415735 /nfs/dbraw/zinc/41/57/35/433415735.db2.gz JMHPZUNQXFHEPK-IBGZPJMESA-N 2 2 313.445 3.156 20 0 DGADLP Cc1nocc1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000339178061 433415742 /nfs/dbraw/zinc/41/57/42/433415742.db2.gz JMHPZUNQXFHEPK-IBGZPJMESA-N 2 2 313.445 3.156 20 0 DGADLP CC[C@@]1(CO)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361850908 433423357 /nfs/dbraw/zinc/42/33/57/433423357.db2.gz UBHZBRKEIPOGAC-LJQANCHMSA-N 2 2 313.445 3.165 20 0 DGADLP CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361850908 433423368 /nfs/dbraw/zinc/42/33/68/433423368.db2.gz UBHZBRKEIPOGAC-LJQANCHMSA-N 2 2 313.445 3.165 20 0 DGADLP C[C@H]([NH2+]CCNc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361892699 433438117 /nfs/dbraw/zinc/43/81/17/433438117.db2.gz WVOCVFKTHBNDRQ-HNNXBMFYSA-N 2 2 307.401 3.030 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc1C ZINC000414172909 433438546 /nfs/dbraw/zinc/43/85/46/433438546.db2.gz WJFAERFRINKSKA-OXQOHEQNSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc1C ZINC000414172909 433438561 /nfs/dbraw/zinc/43/85/61/433438561.db2.gz WJFAERFRINKSKA-OXQOHEQNSA-N 2 2 324.472 3.094 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000339213515 433442363 /nfs/dbraw/zinc/44/23/63/433442363.db2.gz JIBYMJDLXYGAMZ-AWEZNQCLSA-N 2 2 319.474 3.300 20 0 DGADLP C[C@@H](CC(C)(C)C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000414183392 433444927 /nfs/dbraw/zinc/44/49/27/433444927.db2.gz MSYUOHRDXZUBJA-LBPRGKRZSA-N 2 2 310.405 3.447 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000414182506 433445426 /nfs/dbraw/zinc/44/54/26/433445426.db2.gz NDRUHFJWYJPZRA-BCDXTJNWSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000414182506 433445435 /nfs/dbraw/zinc/44/54/35/433445435.db2.gz NDRUHFJWYJPZRA-BCDXTJNWSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)nn1C ZINC000281959425 433446733 /nfs/dbraw/zinc/44/67/33/433446733.db2.gz AXUMEKAMMYRHTF-RDJZCZTQSA-N 2 2 314.477 3.290 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)nn1C ZINC000281959425 433446745 /nfs/dbraw/zinc/44/67/45/433446745.db2.gz AXUMEKAMMYRHTF-RDJZCZTQSA-N 2 2 314.477 3.290 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]3C3CC3)CC2)c1 ZINC000414192692 433455345 /nfs/dbraw/zinc/45/53/45/433455345.db2.gz MEOAFBCWZXWARO-AZUAARDMSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423106110 289998594 /nfs/dbraw/zinc/99/85/94/289998594.db2.gz OHVQJVLBZAROGK-COLVAYQJSA-N 2 2 324.266 3.025 20 0 DGADLP Cc1cc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc[nH+]1 ZINC000301237552 433465383 /nfs/dbraw/zinc/46/53/83/433465383.db2.gz IFPKWFMQQIZHIB-UHFFFAOYSA-N 2 2 310.445 3.133 20 0 DGADLP Cc1cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc[nH+]1 ZINC000301237552 433465393 /nfs/dbraw/zinc/46/53/93/433465393.db2.gz IFPKWFMQQIZHIB-UHFFFAOYSA-N 2 2 310.445 3.133 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)[nH]1 ZINC000355123193 433477931 /nfs/dbraw/zinc/47/79/31/433477931.db2.gz MZHKPGBKUSPHLN-JSGCOSHPSA-N 2 2 301.438 3.305 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286915 433512518 /nfs/dbraw/zinc/51/25/18/433512518.db2.gz NSQUAQFSCPBLAQ-VDHUWJSZSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286915 433512525 /nfs/dbraw/zinc/51/25/25/433512525.db2.gz NSQUAQFSCPBLAQ-VDHUWJSZSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171580 433515884 /nfs/dbraw/zinc/51/58/84/433515884.db2.gz QWMVVBZVBOXHFC-HOJAQTOUSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171580 433515896 /nfs/dbraw/zinc/51/58/96/433515896.db2.gz QWMVVBZVBOXHFC-HOJAQTOUSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@H]([NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171580 433515906 /nfs/dbraw/zinc/51/59/06/433515906.db2.gz QWMVVBZVBOXHFC-HOJAQTOUSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@H]([NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171580 433515915 /nfs/dbraw/zinc/51/59/15/433515915.db2.gz QWMVVBZVBOXHFC-HOJAQTOUSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)CC(F)(F)F ZINC000414291176 433516919 /nfs/dbraw/zinc/51/69/19/433516919.db2.gz XNOKXSJWDIIUBI-CYBMUJFWSA-N 2 2 315.383 3.224 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000421375189 433518522 /nfs/dbraw/zinc/51/85/22/433518522.db2.gz PWXBKDGRYGLPIF-INIZCTEOSA-N 2 2 312.404 3.083 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1conc1Cc1ccccc1 ZINC000339325052 433519561 /nfs/dbraw/zinc/51/95/61/433519561.db2.gz DSCIEOGQWBWWSX-UHFFFAOYSA-N 2 2 307.397 3.301 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc(C)n1 ZINC000421373460 433520599 /nfs/dbraw/zinc/52/05/99/433520599.db2.gz GMTMQEHROSZCDN-UHFFFAOYSA-N 2 2 315.383 3.205 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304489 433529396 /nfs/dbraw/zinc/52/93/96/433529396.db2.gz WGMCUAYSNSDVET-NQYYFHDYSA-N 2 2 304.478 3.035 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304489 433529404 /nfs/dbraw/zinc/52/94/04/433529404.db2.gz WGMCUAYSNSDVET-NQYYFHDYSA-N 2 2 304.478 3.035 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)n1C ZINC000414318284 433537101 /nfs/dbraw/zinc/53/71/01/433537101.db2.gz LUTDKZMYCNGXEY-UHFFFAOYSA-N 2 2 318.852 3.309 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC(C)(C)COC ZINC000426413572 433492667 /nfs/dbraw/zinc/49/26/67/433492667.db2.gz XRAGZXDQWGXGRN-UHFFFAOYSA-N 2 2 319.493 3.293 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC(C)(C)COC ZINC000426413572 433492676 /nfs/dbraw/zinc/49/26/76/433492676.db2.gz XRAGZXDQWGXGRN-UHFFFAOYSA-N 2 2 319.493 3.293 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000339287535 433500661 /nfs/dbraw/zinc/50/06/61/433500661.db2.gz PPFNFSARFZDVQI-LBPRGKRZSA-N 2 2 322.503 3.178 20 0 DGADLP CCn1cc[nH+]c1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375740780 433552632 /nfs/dbraw/zinc/55/26/32/433552632.db2.gz GNQCPZNHOFYPNJ-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc[nH+]c1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375740780 433552641 /nfs/dbraw/zinc/55/26/41/433552641.db2.gz GNQCPZNHOFYPNJ-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP Cc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC000301433715 433553115 /nfs/dbraw/zinc/55/31/15/433553115.db2.gz IEBMFWUEZYZHAK-HNNXBMFYSA-N 2 2 300.406 3.244 20 0 DGADLP CCc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(C)[nH+]1 ZINC000342233546 433554035 /nfs/dbraw/zinc/55/40/35/433554035.db2.gz QHZKNIUDZXXLNY-SJORKVTESA-N 2 2 316.493 3.438 20 0 DGADLP CCc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc(C)[nH+]1 ZINC000342233546 433554044 /nfs/dbraw/zinc/55/40/44/433554044.db2.gz QHZKNIUDZXXLNY-SJORKVTESA-N 2 2 316.493 3.438 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000414342273 433555633 /nfs/dbraw/zinc/55/56/33/433555633.db2.gz MHJMIONHDLOMHK-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000414342273 433555645 /nfs/dbraw/zinc/55/56/45/433555645.db2.gz MHJMIONHDLOMHK-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532450 433556320 /nfs/dbraw/zinc/55/63/20/433556320.db2.gz GXNUYODJLLMXQM-SFTDATJTSA-N 2 2 324.468 3.129 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532450 433556327 /nfs/dbraw/zinc/55/63/27/433556327.db2.gz GXNUYODJLLMXQM-SFTDATJTSA-N 2 2 324.468 3.129 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2coc3ccccc23)s1 ZINC000339407448 433561474 /nfs/dbraw/zinc/56/14/74/433561474.db2.gz MNSIJGVGJLNLOL-UHFFFAOYSA-N 2 2 301.415 3.241 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC000339409482 433561696 /nfs/dbraw/zinc/56/16/96/433561696.db2.gz ZGQLSSQAWLDLIT-UHFFFAOYSA-N 2 2 320.440 3.223 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC000339409482 433561704 /nfs/dbraw/zinc/56/17/04/433561704.db2.gz ZGQLSSQAWLDLIT-UHFFFAOYSA-N 2 2 320.440 3.223 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414365298 433571345 /nfs/dbraw/zinc/57/13/45/433571345.db2.gz OJJFSBWOWAQQOJ-APWZRJJASA-N 2 2 324.472 3.182 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414365298 433571354 /nfs/dbraw/zinc/57/13/54/433571354.db2.gz OJJFSBWOWAQQOJ-APWZRJJASA-N 2 2 324.472 3.182 20 0 DGADLP CCc1nocc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351569526 433583865 /nfs/dbraw/zinc/58/38/65/433583865.db2.gz USRVIXLYWBNOIA-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1nocc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351569526 433583880 /nfs/dbraw/zinc/58/38/80/433583880.db2.gz USRVIXLYWBNOIA-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1nocc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351569526 433583893 /nfs/dbraw/zinc/58/38/93/433583893.db2.gz USRVIXLYWBNOIA-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1nocc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351569526 433583901 /nfs/dbraw/zinc/58/39/01/433583901.db2.gz USRVIXLYWBNOIA-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000282376236 433585293 /nfs/dbraw/zinc/58/52/93/433585293.db2.gz WVVKFQHTZROKKV-HOTGVXAUSA-N 2 2 301.434 3.140 20 0 DGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384134 433586413 /nfs/dbraw/zinc/58/64/13/433586413.db2.gz BLRVPIBVMDHJOR-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384134 433586422 /nfs/dbraw/zinc/58/64/22/433586422.db2.gz BLRVPIBVMDHJOR-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384134 433586425 /nfs/dbraw/zinc/58/64/25/433586425.db2.gz BLRVPIBVMDHJOR-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384134 433586427 /nfs/dbraw/zinc/58/64/27/433586427.db2.gz BLRVPIBVMDHJOR-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000414388963 433589993 /nfs/dbraw/zinc/58/99/93/433589993.db2.gz DQFIZGAMOCOHEE-IBGZPJMESA-N 2 2 320.452 3.246 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351515904 433546267 /nfs/dbraw/zinc/54/62/67/433546267.db2.gz DLKXPWIWCOQSCJ-AEFFLSMTSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351515904 433546272 /nfs/dbraw/zinc/54/62/72/433546272.db2.gz DLKXPWIWCOQSCJ-AEFFLSMTSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000351515904 433546281 /nfs/dbraw/zinc/54/62/81/433546281.db2.gz DLKXPWIWCOQSCJ-AEFFLSMTSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351515904 433546291 /nfs/dbraw/zinc/54/62/91/433546291.db2.gz DLKXPWIWCOQSCJ-AEFFLSMTSA-N 2 2 320.477 3.214 20 0 DGADLP Fc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000339514182 433632297 /nfs/dbraw/zinc/63/22/97/433632297.db2.gz IUCFROJXUCWVIZ-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCSC3(CCC3)CC2)s1 ZINC000414473203 433639778 /nfs/dbraw/zinc/63/97/78/433639778.db2.gz AEPODORIWXKOTP-UHFFFAOYSA-N 2 2 311.520 3.066 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCSC3(CCC3)CC2)s1 ZINC000414473203 433639786 /nfs/dbraw/zinc/63/97/86/433639786.db2.gz AEPODORIWXKOTP-UHFFFAOYSA-N 2 2 311.520 3.066 20 0 DGADLP Cc1cc[nH+]c(NCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000301621054 433641333 /nfs/dbraw/zinc/64/13/33/433641333.db2.gz CXVHKPLJCXFJFS-UHFFFAOYSA-N 2 2 324.472 3.010 20 0 DGADLP Cc1cc[nH+]c(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000301621054 433641349 /nfs/dbraw/zinc/64/13/49/433641349.db2.gz CXVHKPLJCXFJFS-UHFFFAOYSA-N 2 2 324.472 3.010 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000351617140 433616845 /nfs/dbraw/zinc/61/68/45/433616845.db2.gz XBNMUUIXQCLFQO-MRXNPFEDSA-N 2 2 310.507 3.461 20 0 DGADLP CC[NH+](CC)CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000351617140 433616851 /nfs/dbraw/zinc/61/68/51/433616851.db2.gz XBNMUUIXQCLFQO-MRXNPFEDSA-N 2 2 310.507 3.461 20 0 DGADLP CC(C)n1nccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000366351363 292938673 /nfs/dbraw/zinc/93/86/73/292938673.db2.gz XRTCSTXQTWHFTN-UHFFFAOYSA-N 2 2 304.482 3.351 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccncc3F)C2)CC1 ZINC000449018054 433664122 /nfs/dbraw/zinc/66/41/22/433664122.db2.gz IYQPXJUKKPKSHA-MRXNPFEDSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccncc3F)C2)CC1 ZINC000449018054 433664130 /nfs/dbraw/zinc/66/41/30/433664130.db2.gz IYQPXJUKKPKSHA-MRXNPFEDSA-N 2 2 305.441 3.165 20 0 DGADLP Cc1ccc2[nH+]c(CNc3ccc(C[NH+](C)C)cc3F)cn2c1 ZINC000414504988 433669601 /nfs/dbraw/zinc/66/96/01/433669601.db2.gz ZCUOOCFYAMEEHC-UHFFFAOYSA-N 2 2 312.392 3.456 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)[C@H](O)C(C)C ZINC000414519393 433682207 /nfs/dbraw/zinc/68/22/07/433682207.db2.gz CFWQMISWRKIUIG-ZWKOTPCHSA-N 2 2 301.434 3.066 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000351730717 433691247 /nfs/dbraw/zinc/69/12/47/433691247.db2.gz RBNMJCQKYRFTIL-CQSZACIVSA-N 2 2 304.777 3.094 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000351730717 433691257 /nfs/dbraw/zinc/69/12/57/433691257.db2.gz RBNMJCQKYRFTIL-CQSZACIVSA-N 2 2 304.777 3.094 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356773462 433691587 /nfs/dbraw/zinc/69/15/87/433691587.db2.gz CPUCFQMAMZLRPT-OGWHTMIXSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356773462 433691598 /nfs/dbraw/zinc/69/15/98/433691598.db2.gz CPUCFQMAMZLRPT-OGWHTMIXSA-N 2 2 302.462 3.227 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000366925700 293005350 /nfs/dbraw/zinc/00/53/50/293005350.db2.gz XAAFWNYBSDHPPQ-CYBMUJFWSA-N 2 2 307.344 3.011 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000366925700 293005353 /nfs/dbraw/zinc/00/53/53/293005353.db2.gz XAAFWNYBSDHPPQ-CYBMUJFWSA-N 2 2 307.344 3.011 20 0 DGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000366983765 293010991 /nfs/dbraw/zinc/01/09/91/293010991.db2.gz SNWMOSSPINNLJY-INIZCTEOSA-N 2 2 307.800 3.497 20 0 DGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000366983765 293010992 /nfs/dbraw/zinc/01/09/92/293010992.db2.gz SNWMOSSPINNLJY-INIZCTEOSA-N 2 2 307.800 3.497 20 0 DGADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000367402695 293068080 /nfs/dbraw/zinc/06/80/80/293068080.db2.gz SVMORWBVBOGERP-LIRRHRJNSA-N 2 2 305.381 3.484 20 0 DGADLP C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000367436630 293071649 /nfs/dbraw/zinc/07/16/49/293071649.db2.gz GQSKLXLZGMIAFQ-HNNXBMFYSA-N 2 2 321.428 3.256 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000367437159 293072389 /nfs/dbraw/zinc/07/23/89/293072389.db2.gz IDXNZEBGGXEPGC-ZDUSSCGKSA-N 2 2 302.447 3.152 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)c(F)c(F)c1 ZINC000367439940 293073354 /nfs/dbraw/zinc/07/33/54/293073354.db2.gz YJZAGXCXHZWISY-SNVBAGLBSA-N 2 2 309.335 3.488 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463885 293075818 /nfs/dbraw/zinc/07/58/18/293075818.db2.gz OUVKMFZSDKIDIG-XUVXKRRUSA-N 2 2 312.457 3.070 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463885 293075819 /nfs/dbraw/zinc/07/58/19/293075819.db2.gz OUVKMFZSDKIDIG-XUVXKRRUSA-N 2 2 312.457 3.070 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463885 293075820 /nfs/dbraw/zinc/07/58/20/293075820.db2.gz OUVKMFZSDKIDIG-XUVXKRRUSA-N 2 2 312.457 3.070 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463885 293075821 /nfs/dbraw/zinc/07/58/21/293075821.db2.gz OUVKMFZSDKIDIG-XUVXKRRUSA-N 2 2 312.457 3.070 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000368365115 293120131 /nfs/dbraw/zinc/12/01/31/293120131.db2.gz ZEPCQWKNXBAUNE-JCYILVPMSA-N 2 2 320.481 3.258 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000368365115 293120133 /nfs/dbraw/zinc/12/01/33/293120133.db2.gz ZEPCQWKNXBAUNE-JCYILVPMSA-N 2 2 320.481 3.258 20 0 DGADLP Cc1cccc(OC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000368371161 293120886 /nfs/dbraw/zinc/12/08/86/293120886.db2.gz OTHPUJODFBTJOX-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000368455824 293124854 /nfs/dbraw/zinc/12/48/54/293124854.db2.gz UGOPOBRJRGGIDP-KZNAEPCWSA-N 2 2 318.509 3.156 20 0 DGADLP Fc1cncc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)c1 ZINC000369750860 293137938 /nfs/dbraw/zinc/13/79/38/293137938.db2.gz RLRAMSOCDVNGEN-SFHVURJKSA-N 2 2 323.375 3.042 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)[nH+]1 ZINC000369900381 293145593 /nfs/dbraw/zinc/14/55/93/293145593.db2.gz NMEUGZIBPQLQQI-KRWDZBQOSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cn3ccccc3n2)[nH+]1 ZINC000369900381 293145595 /nfs/dbraw/zinc/14/55/95/293145595.db2.gz NMEUGZIBPQLQQI-KRWDZBQOSA-N 2 2 321.428 3.114 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)C[N@@H+]1Cc1ccccc1 ZINC000370431256 293174182 /nfs/dbraw/zinc/17/41/82/293174182.db2.gz SKDXEHJEOVBRDO-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)C[N@H+]1Cc1ccccc1 ZINC000370431256 293174185 /nfs/dbraw/zinc/17/41/85/293174185.db2.gz SKDXEHJEOVBRDO-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP FC1(F)CCC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000374375729 293391371 /nfs/dbraw/zinc/39/13/71/293391371.db2.gz UBIUTOUAOYHUDQ-UHFFFAOYSA-N 2 2 323.431 3.461 20 0 DGADLP Fc1ccc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000301784499 433725776 /nfs/dbraw/zinc/72/57/76/433725776.db2.gz VEDQRVPYWNBHAB-AWEZNQCLSA-N 2 2 308.360 3.460 20 0 DGADLP C[C@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cc(F)cc(F)c1 ZINC000449178989 433729472 /nfs/dbraw/zinc/72/94/72/433729472.db2.gz USWNUWSTPXOMEZ-WBMJQRKESA-N 2 2 314.445 3.095 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356852264 433729956 /nfs/dbraw/zinc/72/99/56/433729956.db2.gz RHWPZFPLBHBQGJ-APWZRJJASA-N 2 2 316.489 3.228 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356852264 433729963 /nfs/dbraw/zinc/72/99/63/433729963.db2.gz RHWPZFPLBHBQGJ-APWZRJJASA-N 2 2 316.489 3.228 20 0 DGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000356849563 433730014 /nfs/dbraw/zinc/73/00/14/433730014.db2.gz PVTZVOKUBAKVHB-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1(C)C ZINC000414578105 433732129 /nfs/dbraw/zinc/73/21/29/433732129.db2.gz PIMOJXJVAGXPHG-LSDHHAIUSA-N 2 2 301.434 3.406 20 0 DGADLP OCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCCC1 ZINC000362529793 433738472 /nfs/dbraw/zinc/73/84/72/433738472.db2.gz TWEGKARBGBGSNB-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP OCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCCC1 ZINC000362529793 433738473 /nfs/dbraw/zinc/73/84/73/433738473.db2.gz TWEGKARBGBGSNB-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP COC1([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCC1 ZINC000421825509 433749819 /nfs/dbraw/zinc/74/98/19/433749819.db2.gz NYJRKRNFLCUPKD-CQSZACIVSA-N 2 2 301.434 3.433 20 0 DGADLP Cc1ccc([C@@H](CNc2[nH+]c3ccccc3n2C)[NH+]2CCCC2)o1 ZINC000342704786 433749925 /nfs/dbraw/zinc/74/99/25/433749925.db2.gz OASUCWXSKCPQKD-QGZVFWFLSA-N 2 2 324.428 3.724 20 0 DGADLP COC1([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCC1 ZINC000421825508 433750798 /nfs/dbraw/zinc/75/07/98/433750798.db2.gz NYJRKRNFLCUPKD-AWEZNQCLSA-N 2 2 301.434 3.433 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862685 433757308 /nfs/dbraw/zinc/75/73/08/433757308.db2.gz PUNNYKRUAVBXEN-DGCLKSJQSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862685 433757318 /nfs/dbraw/zinc/75/73/18/433757318.db2.gz PUNNYKRUAVBXEN-DGCLKSJQSA-N 2 2 305.422 3.118 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)c(F)c1 ZINC000421840633 433760714 /nfs/dbraw/zinc/76/07/14/433760714.db2.gz HFMCLPGNYNWKLA-QQGDVQBRSA-N 2 2 318.436 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)c(F)c1 ZINC000421840633 433760725 /nfs/dbraw/zinc/76/07/25/433760725.db2.gz HFMCLPGNYNWKLA-QQGDVQBRSA-N 2 2 318.436 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)c(F)c1 ZINC000421840915 433760843 /nfs/dbraw/zinc/76/08/43/433760843.db2.gz JFNQTGZVGHQNOO-FZKQIMNGSA-N 2 2 315.392 3.087 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@H+](C)Cc1ccccc1 ZINC000421837870 433760948 /nfs/dbraw/zinc/76/09/48/433760948.db2.gz UEZLPMKDZMIQCY-XLIONFOSSA-N 2 2 323.484 3.439 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421837870 433760957 /nfs/dbraw/zinc/76/09/57/433760957.db2.gz UEZLPMKDZMIQCY-XLIONFOSSA-N 2 2 323.484 3.439 20 0 DGADLP CC1CC[NH+](CCCCNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301861906 433761595 /nfs/dbraw/zinc/76/15/95/433761595.db2.gz GBNFPAQXXGJIQN-UHFFFAOYSA-N 2 2 313.449 3.136 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449079084 433723850 /nfs/dbraw/zinc/72/38/50/433723850.db2.gz ZORZJZBNGQQYDF-CYBMUJFWSA-N 2 2 300.368 3.411 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449079084 433723858 /nfs/dbraw/zinc/72/38/58/433723858.db2.gz ZORZJZBNGQQYDF-CYBMUJFWSA-N 2 2 300.368 3.411 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000449105330 433724132 /nfs/dbraw/zinc/72/41/32/433724132.db2.gz CZZGQAJCSHANOT-HLIPFELVSA-N 3 2 321.553 3.349 20 0 DGADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1cc[nH+]c2ccsc21 ZINC000301786769 433724684 /nfs/dbraw/zinc/72/46/84/433724684.db2.gz WLPVXIMVSKEXMK-UHFFFAOYSA-N 2 2 319.474 3.091 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656912 433774121 /nfs/dbraw/zinc/77/41/21/433774121.db2.gz NVAAPYRQGPJWAU-OAHLLOKOSA-N 2 2 304.340 3.290 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656912 433774129 /nfs/dbraw/zinc/77/41/29/433774129.db2.gz NVAAPYRQGPJWAU-OAHLLOKOSA-N 2 2 304.340 3.290 20 0 DGADLP C[N@H+](CC[NH2+][C@H](CCO)C1CCCCC1)Cc1ccccc1 ZINC000429699511 433780354 /nfs/dbraw/zinc/78/03/54/433780354.db2.gz QHQMFQBVZITNDQ-LJQANCHMSA-N 2 2 304.478 3.039 20 0 DGADLP C[N@@H+](CC[NH2+][C@H](CCO)C1CCCCC1)Cc1ccccc1 ZINC000429699511 433780367 /nfs/dbraw/zinc/78/03/67/433780367.db2.gz QHQMFQBVZITNDQ-LJQANCHMSA-N 2 2 304.478 3.039 20 0 DGADLP c1cn(Cc2ccccc2)c(CCNc2[nH]c3ccccc3[nH+]2)[nH+]1 ZINC000301897779 433783210 /nfs/dbraw/zinc/78/32/10/433783210.db2.gz WDOOAVRKADUYSY-UHFFFAOYSA-N 2 2 317.396 3.462 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000376602322 433786803 /nfs/dbraw/zinc/78/68/03/433786803.db2.gz NUTNNELIUYHDTK-DOMZBBRYSA-N 2 2 313.405 3.010 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)no1 ZINC000283877721 433790944 /nfs/dbraw/zinc/79/09/44/433790944.db2.gz CBZKEZLHILRHEM-AEFFLSMTSA-N 2 2 313.445 3.198 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877721 433790954 /nfs/dbraw/zinc/79/09/54/433790954.db2.gz CBZKEZLHILRHEM-AEFFLSMTSA-N 2 2 313.445 3.198 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000351923357 433791393 /nfs/dbraw/zinc/79/13/93/433791393.db2.gz UOHTXBUIROLTAR-UHFFFAOYSA-N 2 2 318.465 3.428 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)n1 ZINC000431070818 433805129 /nfs/dbraw/zinc/80/51/29/433805129.db2.gz RPFVFEBYYMZYPK-OAHLLOKOSA-N 2 2 314.433 3.381 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)n1 ZINC000431070818 433805140 /nfs/dbraw/zinc/80/51/40/433805140.db2.gz RPFVFEBYYMZYPK-OAHLLOKOSA-N 2 2 314.433 3.381 20 0 DGADLP FC(F)Oc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376728473 433806310 /nfs/dbraw/zinc/80/63/10/433806310.db2.gz KRAVYWSBQADIAF-UHFFFAOYSA-N 2 2 307.344 3.111 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000343549030 433815497 /nfs/dbraw/zinc/81/54/97/433815497.db2.gz KZFNTWLDBQAFDO-SFNKJDCFSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000343549030 433815505 /nfs/dbraw/zinc/81/55/05/433815505.db2.gz KZFNTWLDBQAFDO-SFNKJDCFSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@@H](C[NH3+])C1 ZINC000414765848 433820287 /nfs/dbraw/zinc/82/02/87/433820287.db2.gz GMLXJDVZOZEJGX-DGCLKSJQSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@@H](C[NH3+])C1 ZINC000414765848 433820296 /nfs/dbraw/zinc/82/02/96/433820296.db2.gz GMLXJDVZOZEJGX-DGCLKSJQSA-N 2 2 307.488 3.431 20 0 DGADLP Oc1ccc(F)c(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1F ZINC000351965305 433822322 /nfs/dbraw/zinc/82/23/22/433822322.db2.gz RTPZCCBWZVIVKW-UHFFFAOYSA-N 2 2 315.323 3.146 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000435370768 433873657 /nfs/dbraw/zinc/87/36/57/433873657.db2.gz JSURHCAZLWQOFK-AWEZNQCLSA-N 2 2 314.429 3.150 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000435370768 433873663 /nfs/dbraw/zinc/87/36/63/433873663.db2.gz JSURHCAZLWQOFK-AWEZNQCLSA-N 2 2 314.429 3.150 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)C3CCC3)c2cc1C ZINC000357033044 433833473 /nfs/dbraw/zinc/83/34/73/433833473.db2.gz DTELBPJLYZGJCL-DOTOQJQBSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)C3CCC3)c2cc1C ZINC000357033044 433833480 /nfs/dbraw/zinc/83/34/80/433833480.db2.gz DTELBPJLYZGJCL-DOTOQJQBSA-N 2 2 315.461 3.134 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000339866827 433833570 /nfs/dbraw/zinc/83/35/70/433833570.db2.gz MTTHGDZTLLMDOH-SFHVURJKSA-N 2 2 317.477 3.178 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000339866827 433833580 /nfs/dbraw/zinc/83/35/80/433833580.db2.gz MTTHGDZTLLMDOH-SFHVURJKSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414788219 433834859 /nfs/dbraw/zinc/83/48/59/433834859.db2.gz CZTJTWUNFSQAOO-KRWDZBQOSA-N 2 2 320.868 3.215 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1Cl ZINC000414788619 433836000 /nfs/dbraw/zinc/83/60/00/433836000.db2.gz DQNOXYZSCFNPHX-LBPRGKRZSA-N 2 2 305.647 3.175 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)C3CCC3)c2cc1C ZINC000357033077 433837228 /nfs/dbraw/zinc/83/72/28/433837228.db2.gz DTELBPJLYZGJCL-WBVHZDCISA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)C3CCC3)c2cc1C ZINC000357033077 433837235 /nfs/dbraw/zinc/83/72/35/433837235.db2.gz DTELBPJLYZGJCL-WBVHZDCISA-N 2 2 315.461 3.134 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000351993676 433842128 /nfs/dbraw/zinc/84/21/28/433842128.db2.gz BKHLWAWJQRJXRG-MRXNPFEDSA-N 2 2 322.412 3.105 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000351993676 433842135 /nfs/dbraw/zinc/84/21/35/433842135.db2.gz BKHLWAWJQRJXRG-MRXNPFEDSA-N 2 2 322.412 3.105 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000351993675 433842430 /nfs/dbraw/zinc/84/24/30/433842430.db2.gz BKHLWAWJQRJXRG-INIZCTEOSA-N 2 2 322.412 3.105 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000351993675 433842439 /nfs/dbraw/zinc/84/24/39/433842439.db2.gz BKHLWAWJQRJXRG-INIZCTEOSA-N 2 2 322.412 3.105 20 0 DGADLP Clc1ccc2[nH+]c(CNCC[NH2+]C3CCCCCC3)cn2c1 ZINC000414802187 433842906 /nfs/dbraw/zinc/84/29/06/433842906.db2.gz IASMMHQBJOHVAA-UHFFFAOYSA-N 2 2 320.868 3.390 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000414800425 433845537 /nfs/dbraw/zinc/84/55/37/433845537.db2.gz IAPLKMQLTPHCNR-UHFFFAOYSA-N 2 2 313.445 3.268 20 0 DGADLP C[NH2+][C@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000339900939 433845708 /nfs/dbraw/zinc/84/57/08/433845708.db2.gz PFUVPKNQXUTPNM-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+][C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000339900939 433845716 /nfs/dbraw/zinc/84/57/16/433845716.db2.gz PFUVPKNQXUTPNM-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1Br ZINC000414801403 433845740 /nfs/dbraw/zinc/84/57/40/433845740.db2.gz UBSPXQBCCVBXLP-LBPRGKRZSA-N 2 2 305.647 3.175 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000362754588 433846332 /nfs/dbraw/zinc/84/63/32/433846332.db2.gz YBWAKGGZVKWFHM-PKOBYXMFSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000362754588 433846342 /nfs/dbraw/zinc/84/63/42/433846342.db2.gz YBWAKGGZVKWFHM-PKOBYXMFSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754588 433846345 /nfs/dbraw/zinc/84/63/45/433846345.db2.gz YBWAKGGZVKWFHM-PKOBYXMFSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754588 433846352 /nfs/dbraw/zinc/84/63/52/433846352.db2.gz YBWAKGGZVKWFHM-PKOBYXMFSA-N 3 2 318.509 3.168 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C12CCC2 ZINC000344089677 433846930 /nfs/dbraw/zinc/84/69/30/433846930.db2.gz BCVDWSHJOQDGRA-ARFHVFGLSA-N 2 2 303.450 3.006 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000414808647 433847788 /nfs/dbraw/zinc/84/77/88/433847788.db2.gz FOQAGMVHDKCMKT-CYBMUJFWSA-N 2 2 312.479 3.033 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414804087 433847835 /nfs/dbraw/zinc/84/78/35/433847835.db2.gz KNEFUODOCWYXIM-LJQANCHMSA-N 2 2 310.441 3.498 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1O ZINC000414842744 433877983 /nfs/dbraw/zinc/87/79/83/433877983.db2.gz ZBVCDUPPDJZGKV-WMLDXEAASA-N 2 2 314.429 3.012 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013899 433855809 /nfs/dbraw/zinc/85/58/09/433855809.db2.gz KRQYQVNFIUKSMN-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013899 433855815 /nfs/dbraw/zinc/85/58/15/433855815.db2.gz KRQYQVNFIUKSMN-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013899 433855820 /nfs/dbraw/zinc/85/58/20/433855820.db2.gz KRQYQVNFIUKSMN-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013899 433855827 /nfs/dbraw/zinc/85/58/27/433855827.db2.gz KRQYQVNFIUKSMN-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000414819251 433856723 /nfs/dbraw/zinc/85/67/23/433856723.db2.gz YFZPXVZWXRPONC-ZDUSSCGKSA-N 2 2 314.857 3.354 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013896 433857760 /nfs/dbraw/zinc/85/77/60/433857760.db2.gz KRQYQVNFIUKSMN-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013896 433857765 /nfs/dbraw/zinc/85/77/65/433857765.db2.gz KRQYQVNFIUKSMN-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013896 433857778 /nfs/dbraw/zinc/85/77/78/433857778.db2.gz KRQYQVNFIUKSMN-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013896 433857789 /nfs/dbraw/zinc/85/77/89/433857789.db2.gz KRQYQVNFIUKSMN-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013897 433859372 /nfs/dbraw/zinc/85/93/72/433859372.db2.gz KRQYQVNFIUKSMN-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013897 433859376 /nfs/dbraw/zinc/85/93/76/433859376.db2.gz KRQYQVNFIUKSMN-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013897 433859384 /nfs/dbraw/zinc/85/93/84/433859384.db2.gz KRQYQVNFIUKSMN-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@H]1C ZINC000352013897 433859391 /nfs/dbraw/zinc/85/93/91/433859391.db2.gz KRQYQVNFIUKSMN-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414817533 433860809 /nfs/dbraw/zinc/86/08/09/433860809.db2.gz SKCQWZMFBQJHAE-QGZVFWFLSA-N 2 2 312.461 3.457 20 0 DGADLP COC(=O)C1CCC([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414825499 433861940 /nfs/dbraw/zinc/86/19/40/433861940.db2.gz CIIHXGBQZYGESC-DAWZGUTISA-N 2 2 318.461 3.131 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000414831347 433866984 /nfs/dbraw/zinc/86/69/84/433866984.db2.gz NEEMGSATGIBHPP-OAHLLOKOSA-N 2 2 310.319 3.375 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284246909 433867724 /nfs/dbraw/zinc/86/77/24/433867724.db2.gz WANSWXVSMZLRLK-DZGCQCFKSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284246909 433867735 /nfs/dbraw/zinc/86/77/35/433867735.db2.gz WANSWXVSMZLRLK-DZGCQCFKSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302814059 433867755 /nfs/dbraw/zinc/86/77/55/433867755.db2.gz ZWKRWWYIXNZTNP-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302814059 433867764 /nfs/dbraw/zinc/86/77/64/433867764.db2.gz ZWKRWWYIXNZTNP-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302814059 433867775 /nfs/dbraw/zinc/86/77/75/433867775.db2.gz ZWKRWWYIXNZTNP-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302814059 433867784 /nfs/dbraw/zinc/86/77/84/433867784.db2.gz ZWKRWWYIXNZTNP-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000414835105 433871192 /nfs/dbraw/zinc/87/11/92/433871192.db2.gz UWXFNCDSBINQIJ-UHFFFAOYSA-N 2 2 324.428 3.140 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000414836655 433871601 /nfs/dbraw/zinc/87/16/01/433871601.db2.gz IRYSCVGJVADKSV-SNVBAGLBSA-N 2 2 305.285 3.282 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3c4ccc(F)cc4O[C@@H]3C)n2c1 ZINC000377394705 293654145 /nfs/dbraw/zinc/65/41/45/293654145.db2.gz ABFSNQIWNDFMRL-KZULUSFZSA-N 2 2 311.360 3.394 20 0 DGADLP CCC[NH2+]CC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000414869807 433897425 /nfs/dbraw/zinc/89/74/25/433897425.db2.gz LRQMSKGTDMQPQR-UHFFFAOYSA-N 2 2 320.868 3.232 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2sccc2C)cc1 ZINC000414884331 433898740 /nfs/dbraw/zinc/89/87/40/433898740.db2.gz NROJDMPJLLIIPH-SJORKVTESA-N 2 2 316.470 3.300 20 0 DGADLP Fc1cc(F)cc(Oc2ccc(C[NH2+][C@H]3CC[NH2+]C3)cc2)c1 ZINC000414882865 433899609 /nfs/dbraw/zinc/89/96/09/433899609.db2.gz MYUPUVLGGQBIPI-HNNXBMFYSA-N 2 2 304.340 3.209 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccccc2C)cc1 ZINC000414883172 433900583 /nfs/dbraw/zinc/90/05/83/433900583.db2.gz MVZZNQILVPKNBW-WOJBJXKFSA-N 2 2 310.441 3.239 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000293862605 433902430 /nfs/dbraw/zinc/90/24/30/433902430.db2.gz DLGHOYQMMBYGSR-QAPCUYQASA-N 2 2 310.445 3.143 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)C1CC1 ZINC000414899130 433905072 /nfs/dbraw/zinc/90/50/72/433905072.db2.gz UFRHRPWAZOCPRN-INIZCTEOSA-N 2 2 308.853 3.488 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000293877143 433905396 /nfs/dbraw/zinc/90/53/96/433905396.db2.gz YMTRRRUXDTYVEF-NWDGAFQWSA-N 2 2 314.857 3.206 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2F)cc1 ZINC000414891294 433906375 /nfs/dbraw/zinc/90/63/75/433906375.db2.gz IANPDKMHXUVHHE-WMZOPIPTSA-N 2 2 302.368 3.200 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)s2)cc1 ZINC000414891117 433906618 /nfs/dbraw/zinc/90/66/18/433906618.db2.gz VBGNCTHESHLLLV-ROUUACIJSA-N 2 2 316.470 3.300 20 0 DGADLP C[C@]1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCC[NH2+]C1 ZINC000414905821 433910368 /nfs/dbraw/zinc/91/03/68/433910368.db2.gz OZBWPIUWTCWHLL-KRWDZBQOSA-N 2 2 301.459 3.289 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCc4cc(N)ccc43)c[nH+]c12 ZINC000414923433 433916583 /nfs/dbraw/zinc/91/65/83/433916583.db2.gz HDEQHMOGCQRGRH-GOSISDBHSA-N 2 2 306.413 3.392 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303363085 433935674 /nfs/dbraw/zinc/93/56/74/433935674.db2.gz DRHABAUKJKDMDW-KXBFYZLASA-N 2 2 307.397 3.257 20 0 DGADLP c1cc(-c2ncc(C[NH+]3CCC4(CC[NH2+]4)CC3)s2)cs1 ZINC000422560608 433919827 /nfs/dbraw/zinc/91/98/27/433919827.db2.gz GZDZQTJDCQJVPI-UHFFFAOYSA-N 2 2 305.472 3.200 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414928860 433921202 /nfs/dbraw/zinc/92/12/02/433921202.db2.gz NPDRWWFKEMBKRV-AWEZNQCLSA-N 2 2 318.490 3.141 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000303233553 433925297 /nfs/dbraw/zinc/92/52/97/433925297.db2.gz XRNQGHNLBWRYSC-QMMLZNLJSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000303233553 433925306 /nfs/dbraw/zinc/92/53/06/433925306.db2.gz XRNQGHNLBWRYSC-QMMLZNLJSA-N 2 2 324.468 3.015 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@H]3CCC[C@@H]3[NH3+])cc2[nH+]1 ZINC000340118078 433927458 /nfs/dbraw/zinc/92/74/58/433927458.db2.gz ASHJQNURTTZWDL-OCCSQVGLSA-N 2 2 314.433 3.362 20 0 DGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296041 433931144 /nfs/dbraw/zinc/93/11/44/433931144.db2.gz QRORFDPPPDYUSY-FUHWJXTLSA-N 2 2 323.525 3.020 20 0 DGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436296041 433931152 /nfs/dbraw/zinc/93/11/52/433931152.db2.gz QRORFDPPPDYUSY-FUHWJXTLSA-N 2 2 323.525 3.020 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414954957 433933704 /nfs/dbraw/zinc/93/37/04/433933704.db2.gz MCAFGAHRUSYUJC-HXUWFJFHSA-N 2 2 322.452 3.031 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000414957757 433934471 /nfs/dbraw/zinc/93/44/71/433934471.db2.gz OMZXHJKLLVDQCZ-OAHLLOKOSA-N 2 2 300.450 3.083 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853499 433881206 /nfs/dbraw/zinc/88/12/06/433881206.db2.gz SQOARQBCDXOVHW-OAHLLOKOSA-N 2 2 320.868 3.224 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccnc1 ZINC000436044804 433882503 /nfs/dbraw/zinc/88/25/03/433882503.db2.gz CJGPTSRRROLOHE-GJZGRUSLSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccnc1 ZINC000436044804 433882509 /nfs/dbraw/zinc/88/25/09/433882509.db2.gz CJGPTSRRROLOHE-GJZGRUSLSA-N 2 2 316.474 3.019 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OCC ZINC000414852051 433883281 /nfs/dbraw/zinc/88/32/81/433883281.db2.gz VHMYPZGIMZGYDE-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1O ZINC000414853424 433883860 /nfs/dbraw/zinc/88/38/60/433883860.db2.gz XVVBLVZKPMYAGW-QGZVFWFLSA-N 2 2 314.429 3.314 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414851349 433884428 /nfs/dbraw/zinc/88/44/28/433884428.db2.gz JBCYIUNSVNOIHK-NEPJUHHUSA-N 2 2 307.488 3.349 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-n3cccn3)cc1)CCC2 ZINC000377831829 293718325 /nfs/dbraw/zinc/71/83/25/293718325.db2.gz ORJJVTVFUDIJGN-QGZVFWFLSA-N 2 2 321.428 3.044 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]CC2(C)COC2)c2ccccc2)CC1 ZINC000285416990 433942493 /nfs/dbraw/zinc/94/24/93/433942493.db2.gz JMCCPMKKCZOSJL-SFHVURJKSA-N 2 2 302.462 3.086 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422713474 433943546 /nfs/dbraw/zinc/94/35/46/433943546.db2.gz JTNQHXDNGQYWLA-IJEWVQPXSA-N 2 2 308.491 3.216 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000422715663 433945678 /nfs/dbraw/zinc/94/56/78/433945678.db2.gz SNNVRSGHYXOSKR-AFYVEPGGSA-N 2 2 316.489 3.145 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422711535 433946780 /nfs/dbraw/zinc/94/67/80/433946780.db2.gz HBWJEPRUBFEXOT-NEPJUHHUSA-N 2 2 303.631 3.072 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)nc2c1 ZINC000422711443 433946837 /nfs/dbraw/zinc/94/68/37/433946837.db2.gz GZSXXZCDLKNZGZ-HKUYNNGSSA-N 2 2 320.440 3.226 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422710716 433947262 /nfs/dbraw/zinc/94/72/62/433947262.db2.gz MBCKQELOINQXSC-GBESFXJTSA-N 2 2 313.420 3.163 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(COc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422726744 433951169 /nfs/dbraw/zinc/95/11/69/433951169.db2.gz AHOICOCBWXHAAG-UZLBHIALSA-N 2 2 310.441 3.496 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1)[NH+]1CCCC1 ZINC000340172240 433953135 /nfs/dbraw/zinc/95/31/35/433953135.db2.gz GNAMHKRUAASEIC-ROUUACIJSA-N 2 2 318.461 3.388 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422728384 433956660 /nfs/dbraw/zinc/95/66/60/433956660.db2.gz GBTGNTGDRATZDO-DNVCBOLYSA-N 2 2 312.461 3.228 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414984610 433958949 /nfs/dbraw/zinc/95/89/49/433958949.db2.gz VGEACTFKPWWEIA-LLVKDONJSA-N 2 2 301.415 3.383 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000422746596 433972582 /nfs/dbraw/zinc/97/25/82/433972582.db2.gz NXAHCGSUFUXVOV-IXDOHACOSA-N 2 2 309.885 3.192 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422746435 433972925 /nfs/dbraw/zinc/97/29/25/433972925.db2.gz WLMKCTWEGVFMRN-XLIONFOSSA-N 3 2 315.505 3.149 20 0 DGADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000422745408 433973042 /nfs/dbraw/zinc/97/30/42/433973042.db2.gz VAVIAUDWQZFMJN-FXAWDEMLSA-N 3 2 315.505 3.006 20 0 DGADLP Cc1cn[nH]c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000377717431 433974373 /nfs/dbraw/zinc/97/43/73/433974373.db2.gz CAMOIBZSFZZBFY-SFHVURJKSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1cn[nH]c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000377717431 433974377 /nfs/dbraw/zinc/97/43/77/433974377.db2.gz CAMOIBZSFZZBFY-SFHVURJKSA-N 2 2 312.461 3.108 20 0 DGADLP COc1ccc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422764918 433983399 /nfs/dbraw/zinc/98/33/99/433983399.db2.gz OVAIBUAAYQRWKI-GUYCJALGSA-N 2 2 318.848 3.397 20 0 DGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000340212741 433991139 /nfs/dbraw/zinc/99/11/39/433991139.db2.gz KLQSHCQTBUFQKS-NQIIRXRSSA-N 2 2 321.468 3.439 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422779226 433991540 /nfs/dbraw/zinc/99/15/40/433991540.db2.gz FLLBUYMEVBMJSG-HNNXBMFYSA-N 3 2 312.461 3.187 20 0 DGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)CC1 ZINC000340214722 433992119 /nfs/dbraw/zinc/99/21/19/433992119.db2.gz OUTXAFSWSFYHPW-IBGZPJMESA-N 3 2 319.537 3.248 20 0 DGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422707844 433940259 /nfs/dbraw/zinc/94/02/59/433940259.db2.gz IBTPYVMXUVIJOI-AOIWGVFYSA-N 2 2 304.478 3.439 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422700786 433940771 /nfs/dbraw/zinc/94/07/71/433940771.db2.gz ARPRYNXSIXALLU-KDOFPFPSSA-N 2 2 314.404 3.417 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCOCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422789268 434004740 /nfs/dbraw/zinc/00/47/40/434004740.db2.gz RYOIWPVEKHSGCU-OALUTQOASA-N 2 2 320.477 3.141 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000377826512 434011299 /nfs/dbraw/zinc/01/12/99/434011299.db2.gz NFMPGAYKIXEHAN-IBGZPJMESA-N 2 2 318.424 3.472 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000377826512 434011313 /nfs/dbraw/zinc/01/13/13/434011313.db2.gz NFMPGAYKIXEHAN-IBGZPJMESA-N 2 2 318.424 3.472 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422820646 434025205 /nfs/dbraw/zinc/02/52/05/434025205.db2.gz RPKIEPDRGKGEFD-UXHICEINSA-N 3 2 315.505 3.190 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422819494 434026280 /nfs/dbraw/zinc/02/62/80/434026280.db2.gz IMYIHOMZHMWTDI-JZXOWHBKSA-N 2 2 320.477 3.139 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833843 434034967 /nfs/dbraw/zinc/03/49/67/434034967.db2.gz WRLJMPRBULYJNR-MOPGFXCFSA-N 3 2 301.478 3.032 20 0 DGADLP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833375 434036922 /nfs/dbraw/zinc/03/69/22/434036922.db2.gz GPWMQGHDDJOIRK-JLJPHGGASA-N 2 2 307.869 3.039 20 0 DGADLP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833378 434037261 /nfs/dbraw/zinc/03/72/61/434037261.db2.gz GPWMQGHDDJOIRK-QRTARXTBSA-N 2 2 307.869 3.039 20 0 DGADLP CC(C)[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305104467 434039782 /nfs/dbraw/zinc/03/97/82/434039782.db2.gz AWZPLNIGBUDXPO-SFHVURJKSA-N 2 2 324.896 3.301 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC(C)C ZINC000422835820 434042655 /nfs/dbraw/zinc/04/26/55/434042655.db2.gz ZBWXYYHDPDTQFN-WJFTUGDTSA-N 3 2 309.542 3.253 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422781485 433994866 /nfs/dbraw/zinc/99/48/66/433994866.db2.gz KTEAAUIGYQPXJJ-VQTJNVASSA-N 3 2 315.505 3.191 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340233035 434002085 /nfs/dbraw/zinc/00/20/85/434002085.db2.gz ZMFHAFKUWNLYED-FNHZYXHNSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340233035 434002093 /nfs/dbraw/zinc/00/20/93/434002093.db2.gz ZMFHAFKUWNLYED-FNHZYXHNSA-N 2 2 312.461 3.215 20 0 DGADLP C/C(=C/c1ccccc1)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353122211 434066599 /nfs/dbraw/zinc/06/65/99/434066599.db2.gz FXNNTJOAAINVFO-WJDWOHSUSA-N 2 2 304.397 3.842 20 0 DGADLP CCc1noc(C)c1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285782227 434068026 /nfs/dbraw/zinc/06/80/26/434068026.db2.gz UFJXLOVOOGMLON-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP CCc1noc(C)c1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285782227 434068032 /nfs/dbraw/zinc/06/80/32/434068032.db2.gz UFJXLOVOOGMLON-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP CCc1noc(C)c1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285782227 434068043 /nfs/dbraw/zinc/06/80/43/434068043.db2.gz UFJXLOVOOGMLON-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP CCc1noc(C)c1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285782227 434068051 /nfs/dbraw/zinc/06/80/51/434068051.db2.gz UFJXLOVOOGMLON-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302597 434074980 /nfs/dbraw/zinc/07/49/80/434074980.db2.gz PZKWPTBAVYCLMY-BBRMVZONSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302597 434074992 /nfs/dbraw/zinc/07/49/92/434074992.db2.gz PZKWPTBAVYCLMY-BBRMVZONSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000294302597 434074999 /nfs/dbraw/zinc/07/49/99/434074999.db2.gz PZKWPTBAVYCLMY-BBRMVZONSA-N 2 2 320.864 3.494 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422872219 293914361 /nfs/dbraw/zinc/91/43/61/293914361.db2.gz GENSZYCTZQEXBF-UONOGXRCSA-N 2 2 314.376 3.046 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423204662 293915317 /nfs/dbraw/zinc/91/53/17/293915317.db2.gz OIXCJMJGLQCONG-NHCYSSNCSA-N 2 2 303.233 3.101 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422883081 434080543 /nfs/dbraw/zinc/08/05/43/434080543.db2.gz ULSMVUXWEMGEGM-XHDPSFHLSA-N 2 2 316.367 3.334 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422886545 434084256 /nfs/dbraw/zinc/08/42/56/434084256.db2.gz WWVOIRNTIOBKLL-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886545 434084266 /nfs/dbraw/zinc/08/42/66/434084266.db2.gz WWVOIRNTIOBKLL-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP Clc1ccccc1C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000340357469 434085198 /nfs/dbraw/zinc/08/51/98/434085198.db2.gz XXBGDNPXXSIFTM-NVXWUHKLSA-N 2 2 315.848 3.462 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422898130 434090940 /nfs/dbraw/zinc/09/09/40/434090940.db2.gz LHPOYYFUSGMDBH-UXHICEINSA-N 3 2 315.505 3.080 20 0 DGADLP COc1cc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)ccc1O ZINC000353376105 434092114 /nfs/dbraw/zinc/09/21/14/434092114.db2.gz AVPAMKDYNPJNJR-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP COc1cc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)ccc1O ZINC000353376105 434092126 /nfs/dbraw/zinc/09/21/26/434092126.db2.gz AVPAMKDYNPJNJR-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000422903051 434095251 /nfs/dbraw/zinc/09/52/51/434095251.db2.gz NXBOQGDJBXMUEQ-LALPHHSUSA-N 2 2 316.367 3.419 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161554 434099468 /nfs/dbraw/zinc/09/94/68/434099468.db2.gz RDDSDNPPAPRTQL-AABGKKOBSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161554 434099473 /nfs/dbraw/zinc/09/94/73/434099473.db2.gz RDDSDNPPAPRTQL-AABGKKOBSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161554 434099478 /nfs/dbraw/zinc/09/94/78/434099478.db2.gz RDDSDNPPAPRTQL-AABGKKOBSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161554 434099485 /nfs/dbraw/zinc/09/94/85/434099485.db2.gz RDDSDNPPAPRTQL-AABGKKOBSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842238 434047405 /nfs/dbraw/zinc/04/74/05/434047405.db2.gz FMCVVFWUXGEAEL-CXAGYDPISA-N 2 2 315.392 3.101 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840446 434047607 /nfs/dbraw/zinc/04/76/07/434047607.db2.gz SYGXCIPQWXEEDU-LZLYRXPVSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840446 434047610 /nfs/dbraw/zinc/04/76/10/434047610.db2.gz SYGXCIPQWXEEDU-LZLYRXPVSA-N 3 2 321.534 3.080 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840158 434048792 /nfs/dbraw/zinc/04/87/92/434048792.db2.gz SCXQZBPNHAVDCV-JQHSSLGASA-N 3 2 321.534 3.210 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840158 434048801 /nfs/dbraw/zinc/04/88/01/434048801.db2.gz SCXQZBPNHAVDCV-JQHSSLGASA-N 3 2 321.534 3.210 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(C)cc1OCCCOC)[C@@H]1CCC[NH2+]1 ZINC000422851304 434052040 /nfs/dbraw/zinc/05/20/40/434052040.db2.gz FEOMJKZOAKQPRH-ROUUACIJSA-N 2 2 320.477 3.031 20 0 DGADLP C[C@H]1[C@H]([NH2+]CC2(CCO)CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340305175 434052625 /nfs/dbraw/zinc/05/26/25/434052625.db2.gz JFHKTQFZYOOYQM-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1[C@H]([NH2+]CC2(CCO)CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340305175 434052634 /nfs/dbraw/zinc/05/26/34/434052634.db2.gz JFHKTQFZYOOYQM-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000422856590 434054488 /nfs/dbraw/zinc/05/44/88/434054488.db2.gz WZVJAUNQCFGBSE-MCIONIFRSA-N 2 2 311.495 3.251 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397430 434105358 /nfs/dbraw/zinc/10/53/58/434105358.db2.gz ZWUVFHCTSUGXGP-ICSRJNTNSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397430 434105366 /nfs/dbraw/zinc/10/53/66/434105366.db2.gz ZWUVFHCTSUGXGP-ICSRJNTNSA-N 2 2 320.440 3.259 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422914602 434107031 /nfs/dbraw/zinc/10/70/31/434107031.db2.gz UXRUNVGMGGLVEK-QFBILLFUSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422914602 434107041 /nfs/dbraw/zinc/10/70/41/434107041.db2.gz UXRUNVGMGGLVEK-QFBILLFUSA-N 3 2 303.494 3.147 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397960 434107100 /nfs/dbraw/zinc/10/71/00/434107100.db2.gz WFKHKRYTEBJFJT-QZTJIDSGSA-N 2 2 318.461 3.388 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397960 434107107 /nfs/dbraw/zinc/10/71/07/434107107.db2.gz WFKHKRYTEBJFJT-QZTJIDSGSA-N 2 2 318.461 3.388 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000422939945 434122770 /nfs/dbraw/zinc/12/27/70/434122770.db2.gz MMOWMFIFNWOPFQ-CZUORRHYSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(Cl)cc1Br)C[NH+](C)C ZINC000310140575 434108960 /nfs/dbraw/zinc/10/89/60/434108960.db2.gz MYBOEVYVBDAFAS-SNVBAGLBSA-N 2 2 319.674 3.390 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000422927690 434112515 /nfs/dbraw/zinc/11/25/15/434112515.db2.gz ZRCGTTWBXPVPGZ-ICTVWZTPSA-N 2 2 322.880 3.394 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000346100604 434114351 /nfs/dbraw/zinc/11/43/51/434114351.db2.gz SWRLPJLKESYSNN-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000346100604 434114359 /nfs/dbraw/zinc/11/43/59/434114359.db2.gz SWRLPJLKESYSNN-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(C)C ZINC000340419819 434119319 /nfs/dbraw/zinc/11/93/19/434119319.db2.gz XHMKJENZDHIGLU-IAGOWNOFSA-N 2 2 318.461 3.199 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(C)C ZINC000340419819 434119326 /nfs/dbraw/zinc/11/93/26/434119326.db2.gz XHMKJENZDHIGLU-IAGOWNOFSA-N 2 2 318.461 3.199 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@@H](C)C1 ZINC000500567553 294117709 /nfs/dbraw/zinc/11/77/09/294117709.db2.gz DYBKOGRQOYRVDU-QEWYBTABSA-N 2 2 306.425 3.010 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@@H](C)C1 ZINC000500567553 294117711 /nfs/dbraw/zinc/11/77/11/294117711.db2.gz DYBKOGRQOYRVDU-QEWYBTABSA-N 2 2 306.425 3.010 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000501483714 294141908 /nfs/dbraw/zinc/14/19/08/294141908.db2.gz WTBSEAMRLVDWEU-MRXNPFEDSA-N 2 2 314.539 3.141 20 0 DGADLP CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000501974971 294155384 /nfs/dbraw/zinc/15/53/84/294155384.db2.gz JFIMKLDXPPTHEO-SOLBZPMBSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000501974971 294155385 /nfs/dbraw/zinc/15/53/85/294155385.db2.gz JFIMKLDXPPTHEO-SOLBZPMBSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000501974971 294155389 /nfs/dbraw/zinc/15/53/89/294155389.db2.gz JFIMKLDXPPTHEO-SOLBZPMBSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000501974971 294155393 /nfs/dbraw/zinc/15/53/93/294155393.db2.gz JFIMKLDXPPTHEO-SOLBZPMBSA-N 2 2 306.498 3.314 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)cc1F ZINC000503877253 294203505 /nfs/dbraw/zinc/20/35/05/294203505.db2.gz WPOHWVPFRJFMBO-DRRHNWJESA-N 2 2 318.436 3.153 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)C2)cc1F ZINC000503877253 294203509 /nfs/dbraw/zinc/20/35/09/294203509.db2.gz WPOHWVPFRJFMBO-DRRHNWJESA-N 2 2 318.436 3.153 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857792 294334346 /nfs/dbraw/zinc/33/43/46/294334346.db2.gz FWMHKUPGPLVUEB-MRXNPFEDSA-N 2 2 319.493 3.423 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857792 294334349 /nfs/dbraw/zinc/33/43/49/294334349.db2.gz FWMHKUPGPLVUEB-MRXNPFEDSA-N 2 2 319.493 3.423 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857792 294334351 /nfs/dbraw/zinc/33/43/51/294334351.db2.gz FWMHKUPGPLVUEB-MRXNPFEDSA-N 2 2 319.493 3.423 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857792 294334354 /nfs/dbraw/zinc/33/43/54/294334354.db2.gz FWMHKUPGPLVUEB-MRXNPFEDSA-N 2 2 319.493 3.423 20 0 DGADLP COCCCC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509134254 294341043 /nfs/dbraw/zinc/34/10/43/294341043.db2.gz CWDOYSWEBGAYQN-LJQANCHMSA-N 2 2 318.505 3.476 20 0 DGADLP COCCCC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509134254 294341046 /nfs/dbraw/zinc/34/10/46/294341046.db2.gz CWDOYSWEBGAYQN-LJQANCHMSA-N 2 2 318.505 3.476 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000509181812 294342420 /nfs/dbraw/zinc/34/24/20/294342420.db2.gz SIKIMRGTPGMQRI-ICSRJNTNSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000509181812 294342424 /nfs/dbraw/zinc/34/24/24/294342424.db2.gz SIKIMRGTPGMQRI-ICSRJNTNSA-N 2 2 313.489 3.073 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437279 434131582 /nfs/dbraw/zinc/13/15/82/434131582.db2.gz DSUCBAZARKPMHN-RBUKOAKNSA-N 2 2 304.478 3.393 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437279 434131596 /nfs/dbraw/zinc/13/15/96/434131596.db2.gz DSUCBAZARKPMHN-RBUKOAKNSA-N 2 2 304.478 3.393 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)C1 ZINC000509680151 294361719 /nfs/dbraw/zinc/36/17/19/294361719.db2.gz JZKIWJLKFRDMCO-SFHVURJKSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)C1 ZINC000509680151 294361720 /nfs/dbraw/zinc/36/17/20/294361720.db2.gz JZKIWJLKFRDMCO-SFHVURJKSA-N 2 2 315.505 3.319 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC000313749739 434132608 /nfs/dbraw/zinc/13/26/08/434132608.db2.gz LZPDOCLBNZIAQO-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1Br ZINC000313749739 434132619 /nfs/dbraw/zinc/13/26/19/434132619.db2.gz LZPDOCLBNZIAQO-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Br ZINC000313749739 434132626 /nfs/dbraw/zinc/13/26/26/434132626.db2.gz LZPDOCLBNZIAQO-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Br ZINC000313749739 434132634 /nfs/dbraw/zinc/13/26/34/434132634.db2.gz LZPDOCLBNZIAQO-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP c1cn(-c2ccc(CN3CC[NH2+]C[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000313364303 434132962 /nfs/dbraw/zinc/13/29/62/434132962.db2.gz NFTDQRFXTWNZPZ-HXUWFJFHSA-N 2 2 318.424 3.019 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1c[nH+]ccc1N ZINC000422964228 434143128 /nfs/dbraw/zinc/14/31/28/434143128.db2.gz KUTDJHCASLQECX-CYBMUJFWSA-N 2 2 312.417 3.061 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@]1(C)CCCO1 ZINC000340470855 434146185 /nfs/dbraw/zinc/14/61/85/434146185.db2.gz RANZERKOISDMBM-HNAYVOBHSA-N 2 2 320.452 3.337 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342291 434146861 /nfs/dbraw/zinc/14/68/61/434146861.db2.gz NYOCJNCSCYNKSA-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342291 434146872 /nfs/dbraw/zinc/14/68/72/434146872.db2.gz NYOCJNCSCYNKSA-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP COc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423012118 434165897 /nfs/dbraw/zinc/16/58/97/434165897.db2.gz CLZJBFUBAVVGGL-HKUYNNGSSA-N 2 2 314.404 3.417 20 0 DGADLP C[N@H+](CC[NH2+][C@@H](CCCO)c1ccccc1)Cc1ccccc1 ZINC000295012746 434157315 /nfs/dbraw/zinc/15/73/15/434157315.db2.gz PMVGUKZDIVAQHP-FQEVSTJZSA-N 2 2 312.457 3.222 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H](CCCO)c1ccccc1)Cc1ccccc1 ZINC000295012746 434157324 /nfs/dbraw/zinc/15/73/24/434157324.db2.gz PMVGUKZDIVAQHP-FQEVSTJZSA-N 2 2 312.457 3.222 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000340496053 434160768 /nfs/dbraw/zinc/16/07/68/434160768.db2.gz DWMKIIPPPSEMNY-QAPCUYQASA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000340496053 434160775 /nfs/dbraw/zinc/16/07/75/434160775.db2.gz DWMKIIPPPSEMNY-QAPCUYQASA-N 2 2 300.446 3.376 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2ccccc21 ZINC000423014225 434168650 /nfs/dbraw/zinc/16/86/50/434168650.db2.gz OLGCLXFGBJWRFY-ZWKOTPCHSA-N 2 2 309.413 3.247 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423034090 434175783 /nfs/dbraw/zinc/17/57/83/434175783.db2.gz XFWFMHWVWZLERH-IAQYHMDHSA-N 2 2 317.260 3.098 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[NH+](C)C)cc1 ZINC000340515924 434175919 /nfs/dbraw/zinc/17/59/19/434175919.db2.gz HFZQAILUGMBTEJ-HCXYKTFWSA-N 2 2 314.473 3.145 20 0 DGADLP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000340517084 434176095 /nfs/dbraw/zinc/17/60/95/434176095.db2.gz CLKYTZGVOTZQCA-QGZVFWFLSA-N 2 2 301.478 3.462 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C12CCCCC2 ZINC000315867194 434176574 /nfs/dbraw/zinc/17/65/74/434176574.db2.gz IFNGXTTYJHXEAV-IAGOWNOFSA-N 2 2 305.466 3.381 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C)[C@@H](C)C3)sc2C1 ZINC000346183506 434177075 /nfs/dbraw/zinc/17/70/75/434177075.db2.gz WIGPWXNHYLXSHF-KBPBESRZSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](C)[C@@H](C)C3)sc2C1 ZINC000346183506 434177083 /nfs/dbraw/zinc/17/70/83/434177083.db2.gz WIGPWXNHYLXSHF-KBPBESRZSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)sc2C1 ZINC000346183506 434177093 /nfs/dbraw/zinc/17/70/93/434177093.db2.gz WIGPWXNHYLXSHF-KBPBESRZSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C)[C@@H](C)C3)sc2C1 ZINC000346183506 434177102 /nfs/dbraw/zinc/17/71/02/434177102.db2.gz WIGPWXNHYLXSHF-KBPBESRZSA-N 2 2 307.507 3.388 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340521960 434179962 /nfs/dbraw/zinc/17/99/62/434179962.db2.gz YOBYVMDPPQYFOY-ZAWLATJESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340521960 434179972 /nfs/dbraw/zinc/17/99/72/434179972.db2.gz YOBYVMDPPQYFOY-ZAWLATJESA-N 2 2 302.462 3.197 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000340523497 434180779 /nfs/dbraw/zinc/18/07/79/434180779.db2.gz DYPHHGXAJSAACI-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@H]2CCCCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000423043135 434181941 /nfs/dbraw/zinc/18/19/41/434181941.db2.gz NJEDIBHASVZEMD-QRVBRYPASA-N 2 2 318.461 3.037 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000316206733 434184250 /nfs/dbraw/zinc/18/42/50/434184250.db2.gz MZNZOCXINGHTNN-ZWKOTPCHSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](OC(C)C)c1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423053172 434190954 /nfs/dbraw/zinc/19/09/54/434190954.db2.gz RFDOXANREJIEGI-JENIJYKNSA-N 2 2 320.477 3.282 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2(SC)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080623 434206966 /nfs/dbraw/zinc/20/69/66/434206966.db2.gz BXWJEJWQIUKTMU-IRXDYDNUSA-N 2 2 320.502 3.364 20 0 DGADLP O=C(CCC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000450474363 434207951 /nfs/dbraw/zinc/20/79/51/434207951.db2.gz KDULXVUGNLVAHE-UHFFFAOYSA-N 2 2 315.392 3.322 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000437076794 434210554 /nfs/dbraw/zinc/21/05/54/434210554.db2.gz POHUPZKEIODCQW-MAUKXSAKSA-N 2 2 301.478 3.104 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000437076794 434210563 /nfs/dbraw/zinc/21/05/63/434210563.db2.gz POHUPZKEIODCQW-MAUKXSAKSA-N 2 2 301.478 3.104 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000437090568 434216410 /nfs/dbraw/zinc/21/64/10/434216410.db2.gz IXMQJVURYGSLPD-WBVHZDCISA-N 2 2 301.478 3.246 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000437090568 434216414 /nfs/dbraw/zinc/21/64/14/434216414.db2.gz IXMQJVURYGSLPD-WBVHZDCISA-N 2 2 301.478 3.246 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423016165 434166164 /nfs/dbraw/zinc/16/61/64/434166164.db2.gz MBTWDVQOSPAKQK-KSZLIROESA-N 2 2 318.367 3.387 20 0 DGADLP Cc1cccn2c(CN3CC[N@@H+](C)Cc4ccccc43)c[nH+]c12 ZINC000353588865 434250930 /nfs/dbraw/zinc/25/09/30/434250930.db2.gz NYEGRWIMSIUZJV-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP Cc1cccn2c(CN3CC[N@H+](C)Cc4ccccc43)c[nH+]c12 ZINC000353588865 434250941 /nfs/dbraw/zinc/25/09/41/434250941.db2.gz NYEGRWIMSIUZJV-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP C[C@@H]([NH2+]C/C=C\c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423158023 434253088 /nfs/dbraw/zinc/25/30/88/434253088.db2.gz NOFGNEWOXAMEJE-XCIQGZDESA-N 2 2 309.251 3.192 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000423155695 434253495 /nfs/dbraw/zinc/25/34/95/434253495.db2.gz JXEWAEBEYNYJLB-KGLIPLIRSA-N 2 2 307.319 3.335 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C[NH3+])CC2)CCC1 ZINC000423154371 434254418 /nfs/dbraw/zinc/25/44/18/434254418.db2.gz OVWWQQNCRYOTIB-UHFFFAOYSA-N 3 2 315.505 3.148 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C[NH3+])CC2)CCC1 ZINC000423154371 434254425 /nfs/dbraw/zinc/25/44/25/434254425.db2.gz OVWWQQNCRYOTIB-UHFFFAOYSA-N 3 2 315.505 3.148 20 0 DGADLP CCC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000295211924 434259902 /nfs/dbraw/zinc/25/99/02/434259902.db2.gz AOEVGQOHCPEPCY-ZDUSSCGKSA-N 2 2 314.433 3.089 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423190375 434276434 /nfs/dbraw/zinc/27/64/34/434276434.db2.gz NUKMESFPFSFIOD-ICSRJNTNSA-N 2 2 310.441 3.321 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000450558396 434264222 /nfs/dbraw/zinc/26/42/22/434264222.db2.gz CFHDZLWNCBXVDP-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000450558396 434264232 /nfs/dbraw/zinc/26/42/32/434264232.db2.gz CFHDZLWNCBXVDP-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000423177595 434265451 /nfs/dbraw/zinc/26/54/51/434265451.db2.gz AXVLGWSLXKDVOA-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000423188058 434270548 /nfs/dbraw/zinc/27/05/48/434270548.db2.gz QCKGUVHVCSQUJQ-NXHKRRBXSA-N 2 2 316.489 3.315 20 0 DGADLP C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423106113 434224408 /nfs/dbraw/zinc/22/44/08/434224408.db2.gz OHVQJVLBZAROGK-LKTVYLICSA-N 2 2 324.266 3.025 20 0 DGADLP COc1ccc(F)cc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353554037 434226529 /nfs/dbraw/zinc/22/65/29/434226529.db2.gz HSXSGAQUSXHWDT-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(F)cc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353554037 434226535 /nfs/dbraw/zinc/22/65/35/434226535.db2.gz HSXSGAQUSXHWDT-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(F)cc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353554037 434226539 /nfs/dbraw/zinc/22/65/39/434226539.db2.gz HSXSGAQUSXHWDT-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(F)cc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353554037 434226549 /nfs/dbraw/zinc/22/65/49/434226549.db2.gz HSXSGAQUSXHWDT-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423116624 434227896 /nfs/dbraw/zinc/22/78/96/434227896.db2.gz QPZDTEZXNBYOHV-CJNGLKHVSA-N 2 2 312.461 3.164 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792386 434228129 /nfs/dbraw/zinc/22/81/29/434228129.db2.gz ZTWZJNLXFNLPKX-GUDVDZBRSA-N 3 2 321.553 3.494 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792386 434228139 /nfs/dbraw/zinc/22/81/39/434228139.db2.gz ZTWZJNLXFNLPKX-GUDVDZBRSA-N 3 2 321.553 3.494 20 0 DGADLP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc[nH+]1 ZINC000353560543 434230207 /nfs/dbraw/zinc/23/02/07/434230207.db2.gz YKGPGRIANXMVPT-HXUWFJFHSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc[nH+]1 ZINC000353560543 434230216 /nfs/dbraw/zinc/23/02/16/434230216.db2.gz YKGPGRIANXMVPT-HXUWFJFHSA-N 2 2 322.456 3.278 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423117081 434230472 /nfs/dbraw/zinc/23/04/72/434230472.db2.gz SWBXCQUCTSZCKZ-BHIYHBOVSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423117081 434230482 /nfs/dbraw/zinc/23/04/82/434230482.db2.gz SWBXCQUCTSZCKZ-BHIYHBOVSA-N 3 2 315.505 3.017 20 0 DGADLP COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353620243 434279189 /nfs/dbraw/zinc/27/91/89/434279189.db2.gz XGUQUFZVEISMRQ-SFHVURJKSA-N 2 2 312.413 3.169 20 0 DGADLP COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353620243 434279199 /nfs/dbraw/zinc/27/91/99/434279199.db2.gz XGUQUFZVEISMRQ-SFHVURJKSA-N 2 2 312.413 3.169 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000358001137 434280141 /nfs/dbraw/zinc/28/01/41/434280141.db2.gz DIRLUBCWICZRFN-OXJNMPFZSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000358001137 434280149 /nfs/dbraw/zinc/28/01/49/434280149.db2.gz DIRLUBCWICZRFN-OXJNMPFZSA-N 2 2 324.472 3.210 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358004160 434281950 /nfs/dbraw/zinc/28/19/50/434281950.db2.gz KRYCIDJEAHFWSO-XLIONFOSSA-N 2 2 318.505 3.474 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358004160 434281961 /nfs/dbraw/zinc/28/19/61/434281961.db2.gz KRYCIDJEAHFWSO-XLIONFOSSA-N 2 2 318.505 3.474 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)C1 ZINC000423206226 434285329 /nfs/dbraw/zinc/28/53/29/434285329.db2.gz BOEWFTZSELMZBO-YJBOKZPZSA-N 2 2 317.477 3.204 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)C1 ZINC000423206226 434285337 /nfs/dbraw/zinc/28/53/37/434285337.db2.gz BOEWFTZSELMZBO-YJBOKZPZSA-N 2 2 317.477 3.204 20 0 DGADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423210462 434287532 /nfs/dbraw/zinc/28/75/32/434287532.db2.gz WRUCSVQETONODV-HUUCEWRRSA-N 2 2 313.470 3.447 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)o2)cs1 ZINC000358023289 434289640 /nfs/dbraw/zinc/28/96/40/434289640.db2.gz PODWMYUOCADOQH-AAEUAGOBSA-N 2 2 305.447 3.284 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cs1 ZINC000358023289 434289650 /nfs/dbraw/zinc/28/96/50/434289650.db2.gz PODWMYUOCADOQH-AAEUAGOBSA-N 2 2 305.447 3.284 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000353631048 434289733 /nfs/dbraw/zinc/28/97/33/434289733.db2.gz ZIAFKSLJMMHEGB-IBGZPJMESA-N 3 2 301.478 3.130 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000353631048 434289741 /nfs/dbraw/zinc/28/97/41/434289741.db2.gz ZIAFKSLJMMHEGB-IBGZPJMESA-N 3 2 301.478 3.130 20 0 DGADLP C[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423223956 434295756 /nfs/dbraw/zinc/29/57/56/434295756.db2.gz IBPNWGCDVKBWQP-CQSZACIVSA-N 2 2 317.458 3.005 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423232423 434298161 /nfs/dbraw/zinc/29/81/61/434298161.db2.gz CEQKJPONVQOPOS-SUMWQHHRSA-N 2 2 323.440 3.267 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423229263 434298261 /nfs/dbraw/zinc/29/82/61/434298261.db2.gz ANPVDQRXXWSFIX-AZUAARDMSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(Cl)c1 ZINC000423233388 434298921 /nfs/dbraw/zinc/29/89/21/434298921.db2.gz OGWVJFBKEWQUGV-ZDUSSCGKSA-N 2 2 316.836 3.318 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000423232255 434301213 /nfs/dbraw/zinc/30/12/13/434301213.db2.gz HZBFUKYOBGBZIZ-RDJZCZTQSA-N 2 2 312.461 3.200 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231731 434301737 /nfs/dbraw/zinc/30/17/37/434301737.db2.gz LMKCWDVDBBXGFD-CRAIPNDOSA-N 2 2 322.456 3.460 20 0 DGADLP C[C@H](c1ccccc1)[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423228814 434301800 /nfs/dbraw/zinc/30/18/00/434301800.db2.gz FGIGPSLCQAPQGJ-HOTGVXAUSA-N 2 2 310.445 3.095 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000423236535 434304299 /nfs/dbraw/zinc/30/42/99/434304299.db2.gz HNLRQGQOEFMUPJ-QZTJIDSGSA-N 2 2 312.461 3.284 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000423235580 434304398 /nfs/dbraw/zinc/30/43/98/434304398.db2.gz GOMGDAQAFIDVQC-SUMWQHHRSA-N 2 2 300.402 3.054 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000423244849 434309780 /nfs/dbraw/zinc/30/97/80/434309780.db2.gz ODJPTAMQIYNMFF-DLBZAZTESA-N 2 2 314.429 3.445 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000423248399 434311713 /nfs/dbraw/zinc/31/17/13/434311713.db2.gz RRFMFPUPHBNWOA-MSOLQXFVSA-N 2 2 312.461 3.211 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423249009 434314283 /nfs/dbraw/zinc/31/42/83/434314283.db2.gz SMVIUQSAOGUIKT-CJNGLKHVSA-N 2 2 300.402 3.054 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423259402 434320276 /nfs/dbraw/zinc/32/02/76/434320276.db2.gz DQOURTZOROZDTA-YOEHRIQHSA-N 3 2 300.450 3.205 20 0 DGADLP CCn1c[nH+]cc1CNCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000387344669 434321343 /nfs/dbraw/zinc/32/13/43/434321343.db2.gz FPUPPYKWQUSIHT-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP CCn1c[nH+]cc1CNCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000387344669 434321352 /nfs/dbraw/zinc/32/13/52/434321352.db2.gz FPUPPYKWQUSIHT-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000423269496 434327048 /nfs/dbraw/zinc/32/70/48/434327048.db2.gz GZFLNUQAMXJWCG-ACJLOTCBSA-N 2 2 301.409 3.064 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000388065738 434328139 /nfs/dbraw/zinc/32/81/39/434328139.db2.gz QTVCTJSMUIQWPM-MKXGPGLRSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423271459 434330537 /nfs/dbraw/zinc/33/05/37/434330537.db2.gz HNVYSJINCOZEQD-IINYFYTJSA-N 2 2 305.422 3.337 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cnn1-c1cc(C)ccc1C ZINC000423279475 434332449 /nfs/dbraw/zinc/33/24/49/434332449.db2.gz RZOPUCISRVEBJP-QAPCUYQASA-N 2 2 314.477 3.431 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600937 434363219 /nfs/dbraw/zinc/36/32/19/434363219.db2.gz UNPOYFJBSMNJBH-LPHOPBHVSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600937 434363226 /nfs/dbraw/zinc/36/32/26/434363226.db2.gz UNPOYFJBSMNJBH-LPHOPBHVSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417355604 434366984 /nfs/dbraw/zinc/36/69/84/434366984.db2.gz OFJCLIYRVKHHKD-LBPRGKRZSA-N 2 2 300.368 3.320 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000390627169 434367173 /nfs/dbraw/zinc/36/71/73/434367173.db2.gz PSHLUVJLRVHOFE-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000390627169 434367179 /nfs/dbraw/zinc/36/71/79/434367179.db2.gz PSHLUVJLRVHOFE-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295465174 434376600 /nfs/dbraw/zinc/37/66/00/434376600.db2.gz RCLKYMYBGJRTHQ-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295465174 434376608 /nfs/dbraw/zinc/37/66/08/434376608.db2.gz RCLKYMYBGJRTHQ-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000423370549 434385640 /nfs/dbraw/zinc/38/56/40/434385640.db2.gz PPSCVUITMGAHJL-XLWVJDPXSA-N 2 2 317.383 3.156 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747629 434386055 /nfs/dbraw/zinc/38/60/55/434386055.db2.gz PNUBANJPSOOLFZ-QFBILLFUSA-N 2 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747629 434386067 /nfs/dbraw/zinc/38/60/67/434386067.db2.gz PNUBANJPSOOLFZ-QFBILLFUSA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747629 434386075 /nfs/dbraw/zinc/38/60/75/434386075.db2.gz PNUBANJPSOOLFZ-QFBILLFUSA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747629 434386087 /nfs/dbraw/zinc/38/60/87/434386087.db2.gz PNUBANJPSOOLFZ-QFBILLFUSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423363427 434387822 /nfs/dbraw/zinc/38/78/22/434387822.db2.gz IXOHWBDFDZYTGG-BLLLJJGKSA-N 2 2 319.246 3.475 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000450753232 434388060 /nfs/dbraw/zinc/38/80/60/434388060.db2.gz BINRYVUZBIHTHN-SQNIBIBYSA-N 2 2 304.482 3.219 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000450753232 434388067 /nfs/dbraw/zinc/38/80/67/434388067.db2.gz BINRYVUZBIHTHN-SQNIBIBYSA-N 2 2 304.482 3.219 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747627 434390757 /nfs/dbraw/zinc/39/07/57/434390757.db2.gz PNUBANJPSOOLFZ-APWZRJJASA-N 2 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747627 434390766 /nfs/dbraw/zinc/39/07/66/434390766.db2.gz PNUBANJPSOOLFZ-APWZRJJASA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747627 434390777 /nfs/dbraw/zinc/39/07/77/434390777.db2.gz PNUBANJPSOOLFZ-APWZRJJASA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747627 434390789 /nfs/dbraw/zinc/39/07/89/434390789.db2.gz PNUBANJPSOOLFZ-APWZRJJASA-N 2 2 312.461 3.177 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423283907 434339594 /nfs/dbraw/zinc/33/95/94/434339594.db2.gz FVNOUMHQDMDELG-NSHDSACASA-N 2 2 308.857 3.395 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000423286982 434339979 /nfs/dbraw/zinc/33/99/79/434339979.db2.gz JTZFJPQRAHBCOA-VIFPVBQESA-N 2 2 318.234 3.151 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC(F)F)cc1OC(F)F ZINC000423281389 434340179 /nfs/dbraw/zinc/34/01/79/434340179.db2.gz BFTITHJVHBGUFM-QMMMGPOBSA-N 2 2 324.318 3.277 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423297919 434350357 /nfs/dbraw/zinc/35/03/57/434350357.db2.gz MLTGNZRHCSVRDS-DGCLKSJQSA-N 2 2 308.857 3.395 20 0 DGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000340773554 434350510 /nfs/dbraw/zinc/35/05/10/434350510.db2.gz IQHVQNYGHPEGIV-QAPCUYQASA-N 2 2 310.445 3.477 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423314073 434354558 /nfs/dbraw/zinc/35/45/58/434354558.db2.gz GLXJNRNCCZTSDO-YGRLFVJLSA-N 2 2 305.422 3.337 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417315570 434354605 /nfs/dbraw/zinc/35/46/05/434354605.db2.gz SJHAOOPMYQYPGJ-CTASWTNQSA-N 2 2 310.532 3.267 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625696 434359370 /nfs/dbraw/zinc/35/93/70/434359370.db2.gz HWONYWKDVJBGIE-OALUTQOASA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625696 434359379 /nfs/dbraw/zinc/35/93/79/434359379.db2.gz HWONYWKDVJBGIE-OALUTQOASA-N 2 2 302.462 3.056 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000390423970 434359807 /nfs/dbraw/zinc/35/98/07/434359807.db2.gz UAHXXKUDRDIKHW-WOJBJXKFSA-N 2 2 318.424 3.166 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCO[C@@H]2C)[NH+](C)C)cc1 ZINC000348683908 434442550 /nfs/dbraw/zinc/44/25/50/434442550.db2.gz AZMXAZNAEKQADP-LZQZEXGQSA-N 2 2 304.478 3.255 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748981 434394406 /nfs/dbraw/zinc/39/44/06/434394406.db2.gz QWBVGDDSFMOPMF-XJKSGUPXSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748981 434394417 /nfs/dbraw/zinc/39/44/17/434394417.db2.gz QWBVGDDSFMOPMF-XJKSGUPXSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748981 434394427 /nfs/dbraw/zinc/39/44/27/434394427.db2.gz QWBVGDDSFMOPMF-XJKSGUPXSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748981 434394434 /nfs/dbraw/zinc/39/44/34/434394434.db2.gz QWBVGDDSFMOPMF-XJKSGUPXSA-N 2 2 320.868 3.292 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423386468 434397584 /nfs/dbraw/zinc/39/75/84/434397584.db2.gz LFZVONVGCBHZDZ-JSGCOSHPSA-N 2 2 307.507 3.451 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748480 434397816 /nfs/dbraw/zinc/39/78/16/434397816.db2.gz PTOISGHOOIXXLL-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748480 434397821 /nfs/dbraw/zinc/39/78/21/434397821.db2.gz PTOISGHOOIXXLL-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748480 434397831 /nfs/dbraw/zinc/39/78/31/434397831.db2.gz PTOISGHOOIXXLL-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748480 434397837 /nfs/dbraw/zinc/39/78/37/434397837.db2.gz PTOISGHOOIXXLL-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]1 ZINC000423385920 434398725 /nfs/dbraw/zinc/39/87/25/434398725.db2.gz RKOVRJYCRSUKNQ-MRAWALMUSA-N 2 2 317.383 3.179 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000438100296 434403094 /nfs/dbraw/zinc/40/30/94/434403094.db2.gz CDRLKDHUVBWMHC-SJORKVTESA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCOC1 ZINC000438100296 434403105 /nfs/dbraw/zinc/40/31/05/434403105.db2.gz CDRLKDHUVBWMHC-SJORKVTESA-N 2 2 313.445 3.236 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423405668 434407194 /nfs/dbraw/zinc/40/71/94/434407194.db2.gz YGENVFDMQPTNRV-RVKKMQEKSA-N 2 2 317.383 3.309 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)CC[N@@H+]1C ZINC000394955204 434409782 /nfs/dbraw/zinc/40/97/82/434409782.db2.gz FZIRBSGYBBVEFB-JQWIXIFHSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)CC[N@H+]1C ZINC000394955204 434409793 /nfs/dbraw/zinc/40/97/93/434409793.db2.gz FZIRBSGYBBVEFB-JQWIXIFHSA-N 2 2 315.230 3.161 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423412856 434410970 /nfs/dbraw/zinc/41/09/70/434410970.db2.gz IWVVVKZVIHKQNF-YOEHRIQHSA-N 2 2 308.491 3.218 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395141103 434415946 /nfs/dbraw/zinc/41/59/46/434415946.db2.gz HKYXVCPMKUNVJP-YSIASYRMSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395141103 434415955 /nfs/dbraw/zinc/41/59/55/434415955.db2.gz HKYXVCPMKUNVJP-YSIASYRMSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423416974 434416717 /nfs/dbraw/zinc/41/67/17/434416717.db2.gz DTUVJQZFTSTVSX-CGBFIWBNSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423416974 434416726 /nfs/dbraw/zinc/41/67/26/434416726.db2.gz DTUVJQZFTSTVSX-CGBFIWBNSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000423430153 434418296 /nfs/dbraw/zinc/41/82/96/434418296.db2.gz PNWUPDNPIBNSAA-GUYCJALGSA-N 2 2 311.385 3.201 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)CCC[NH2+]1 ZINC000423431407 434419867 /nfs/dbraw/zinc/41/98/67/434419867.db2.gz QMKOFRFTEORQDG-KXBFYZLASA-N 2 2 316.445 3.469 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H](C)[NH3+] ZINC000423432115 434421073 /nfs/dbraw/zinc/42/10/73/434421073.db2.gz QQRRCTJZTWRASI-CXAGYDPISA-N 2 2 313.401 3.432 20 0 DGADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2cc(Br)ccc2o1 ZINC000423433560 434421967 /nfs/dbraw/zinc/42/19/67/434421967.db2.gz NEMCTIZMAFBADR-NJQDOHAQSA-N 2 2 321.218 3.064 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(OCCC)c1 ZINC000423441130 434423298 /nfs/dbraw/zinc/42/32/98/434423298.db2.gz UHRNIGMUPLTCDS-WKCGWZECSA-N 2 2 318.461 3.133 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000329563639 434432774 /nfs/dbraw/zinc/43/27/74/434432774.db2.gz NOVAZDYILNOWBX-RBSFLKMASA-N 2 2 312.417 3.072 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494506 434434768 /nfs/dbraw/zinc/43/47/68/434434768.db2.gz CXWZJNXVBFHYSF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494506 434434773 /nfs/dbraw/zinc/43/47/73/434434773.db2.gz CXWZJNXVBFHYSF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494506 434434780 /nfs/dbraw/zinc/43/47/80/434434780.db2.gz CXWZJNXVBFHYSF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494506 434434783 /nfs/dbraw/zinc/43/47/83/434434783.db2.gz CXWZJNXVBFHYSF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423474580 434439358 /nfs/dbraw/zinc/43/93/58/434439358.db2.gz RIMCXXVUUXEKJC-VNTMZGSJSA-N 3 2 315.505 3.004 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423474580 434439364 /nfs/dbraw/zinc/43/93/64/434439364.db2.gz RIMCXXVUUXEKJC-VNTMZGSJSA-N 3 2 315.505 3.004 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423474579 434441462 /nfs/dbraw/zinc/44/14/62/434441462.db2.gz RIMCXXVUUXEKJC-LWYYNNOASA-N 3 2 315.505 3.004 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423474579 434441466 /nfs/dbraw/zinc/44/14/66/434441466.db2.gz RIMCXXVUUXEKJC-LWYYNNOASA-N 3 2 315.505 3.004 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423508259 434463904 /nfs/dbraw/zinc/46/39/04/434463904.db2.gz HWTNXEYHHZGRER-SWLSCSKDSA-N 2 2 317.260 3.413 20 0 DGADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423515618 434469212 /nfs/dbraw/zinc/46/92/12/434469212.db2.gz FUYIBVUSIUVNHH-PSASIEDQSA-N 2 2 321.273 3.010 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423514897 434469822 /nfs/dbraw/zinc/46/98/22/434469822.db2.gz XBYMRRXHEBNYGF-NCXUSEDFSA-N 2 2 314.473 3.186 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423521851 434471893 /nfs/dbraw/zinc/47/18/93/434471893.db2.gz LMFWINLZSNNZFT-CABCVRRESA-N 2 2 316.367 3.125 20 0 DGADLP COC(=O)c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000450904021 434472618 /nfs/dbraw/zinc/47/26/18/434472618.db2.gz MENBBTKMEAPBSS-UHFFFAOYSA-N 2 2 324.852 3.044 20 0 DGADLP COC(=O)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000450904021 434472627 /nfs/dbraw/zinc/47/26/27/434472627.db2.gz MENBBTKMEAPBSS-UHFFFAOYSA-N 2 2 324.852 3.044 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423528674 434475527 /nfs/dbraw/zinc/47/55/27/434475527.db2.gz NPPRFRCTCHRARL-UIAACRFSSA-N 2 2 310.441 3.492 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296014301 434476150 /nfs/dbraw/zinc/47/61/50/434476150.db2.gz LVBFZFOPBBYXPE-DOMZBBRYSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000423523242 434477356 /nfs/dbraw/zinc/47/73/56/434477356.db2.gz MZGATGQGBJKDSH-RKDXNWHRSA-N 2 2 323.651 3.286 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Cc1ccccc1 ZINC000450925272 434486875 /nfs/dbraw/zinc/48/68/75/434486875.db2.gz XRNWCPKLTMRMLE-HZPDHXFCSA-N 2 2 312.404 3.258 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F)Cc1ccccc1 ZINC000450925272 434486884 /nfs/dbraw/zinc/48/68/84/434486884.db2.gz XRNWCPKLTMRMLE-HZPDHXFCSA-N 2 2 312.404 3.258 20 0 DGADLP Cc1noc(C)c1CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000329818152 434486941 /nfs/dbraw/zinc/48/69/41/434486941.db2.gz GDPZUVNKCZLLIN-UHFFFAOYSA-N 2 2 315.417 3.081 20 0 DGADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1nc2ccc(Cl)cc2n1C ZINC000423567920 434489745 /nfs/dbraw/zinc/48/97/45/434489745.db2.gz VJIZHKLGLMQJFB-LLVKDONJSA-N 2 2 306.841 3.019 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)c(F)c1 ZINC000423566360 434490565 /nfs/dbraw/zinc/49/05/65/434490565.db2.gz UGOOQQZENCDAAP-GOSISDBHSA-N 2 2 317.383 3.181 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000401040947 434491308 /nfs/dbraw/zinc/49/13/08/434491308.db2.gz TZCUKZBBKMHKQF-MTQWCTHYSA-N 3 2 315.505 3.047 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366734763 434495561 /nfs/dbraw/zinc/49/55/61/434495561.db2.gz LFMHGYLAXJUFCT-OLZOCXBDSA-N 2 2 305.447 3.490 20 0 DGADLP Cc1[nH]c(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[nH+]c1C ZINC000522013829 294899703 /nfs/dbraw/zinc/89/97/03/294899703.db2.gz JPDGQAAVZUIVJT-OAHLLOKOSA-N 2 2 306.841 3.072 20 0 DGADLP CC(C)(CO)[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000296081744 434500461 /nfs/dbraw/zinc/50/04/61/434500461.db2.gz RWOITGUFBWAJFM-INIZCTEOSA-N 2 2 315.442 3.245 20 0 DGADLP Cc1ccc(C(=O)CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000360072719 434503762 /nfs/dbraw/zinc/50/37/62/434503762.db2.gz RIGWIYJEGNCJJI-UHFFFAOYSA-N 2 2 302.462 3.372 20 0 DGADLP Cc1ccc(C(=O)CC[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000360072719 434503769 /nfs/dbraw/zinc/50/37/69/434503769.db2.gz RIGWIYJEGNCJJI-UHFFFAOYSA-N 2 2 302.462 3.372 20 0 DGADLP CC(C)Cc1ccc([C@@H](C[NH2+]C2CCC(O)CC2)[NH+](C)C)cc1 ZINC000348702293 434451656 /nfs/dbraw/zinc/45/16/56/434451656.db2.gz QMGGIKAVXCKBOR-SOAGJPPSSA-N 2 2 318.505 3.381 20 0 DGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423492194 434453015 /nfs/dbraw/zinc/45/30/15/434453015.db2.gz MAYLBPJBOIRUDP-FPOVZHCZSA-N 2 2 324.468 3.361 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000398137453 434453605 /nfs/dbraw/zinc/45/36/05/434453605.db2.gz LJSVTYGQZWCJBR-BQFCYCMXSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000398137453 434453616 /nfs/dbraw/zinc/45/36/16/434453616.db2.gz LJSVTYGQZWCJBR-BQFCYCMXSA-N 2 2 310.445 3.038 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000360080333 434508361 /nfs/dbraw/zinc/50/83/61/434508361.db2.gz YUPSHEAORLUNHF-IRXDYDNUSA-N 2 2 318.461 3.373 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)[C@@H]1CC[NH3+] ZINC000404382357 434510118 /nfs/dbraw/zinc/51/01/18/434510118.db2.gz UTNWHMGEPSJNLE-GXTWGEPZSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)[C@@H]1CC[NH3+] ZINC000404382357 434510124 /nfs/dbraw/zinc/51/01/24/434510124.db2.gz UTNWHMGEPSJNLE-GXTWGEPZSA-N 2 2 305.447 3.352 20 0 DGADLP CCC(CC)n1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000438614060 434519680 /nfs/dbraw/zinc/51/96/80/434519680.db2.gz UPROMWKCMJNIBH-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000438614060 434519690 /nfs/dbraw/zinc/51/96/90/434519690.db2.gz UPROMWKCMJNIBH-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000438614060 434519696 /nfs/dbraw/zinc/51/96/96/434519696.db2.gz UPROMWKCMJNIBH-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000438614060 434519700 /nfs/dbraw/zinc/51/97/00/434519700.db2.gz UPROMWKCMJNIBH-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP CC(C)CN(CC[NH+](C)C)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000348938766 434560507 /nfs/dbraw/zinc/56/05/07/434560507.db2.gz ZXUXCKRZMMFJEO-UHFFFAOYSA-N 2 2 308.857 3.007 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])[nH+]1 ZINC000423771873 434529757 /nfs/dbraw/zinc/52/97/57/434529757.db2.gz KCDGJUZTTIGIFL-HIFRSBDPSA-N 2 2 312.417 3.231 20 0 DGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1OC ZINC000353926966 434530344 /nfs/dbraw/zinc/53/03/44/434530344.db2.gz ICOXESSVQUVWFS-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000353928878 434531075 /nfs/dbraw/zinc/53/10/75/434531075.db2.gz MCAXUSCUVUBQEV-IRXDYDNUSA-N 3 2 303.494 3.280 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCn2cnc3ccccc32)c[nH+]1 ZINC000353933032 434531376 /nfs/dbraw/zinc/53/13/76/434531376.db2.gz UNXFMJXCJVFMRV-UHFFFAOYSA-N 2 2 308.429 3.352 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1COC(C)(C)C1)c1cccc(OC)c1 ZINC000417856812 434538772 /nfs/dbraw/zinc/53/87/72/434538772.db2.gz NGMNUXCPGXVVBS-SJLPKXTDSA-N 2 2 320.477 3.235 20 0 DGADLP C[N@H+](Cc1nc2ccc(F)cc2s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348876431 434541612 /nfs/dbraw/zinc/54/16/12/434541612.db2.gz MJOAJSKDSONKER-PBWFPOADSA-N 2 2 319.449 3.492 20 0 DGADLP C[N@@H+](Cc1nc2ccc(F)cc2s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348876431 434541620 /nfs/dbraw/zinc/54/16/20/434541620.db2.gz MJOAJSKDSONKER-PBWFPOADSA-N 2 2 319.449 3.492 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348876431 434541624 /nfs/dbraw/zinc/54/16/24/434541624.db2.gz MJOAJSKDSONKER-PBWFPOADSA-N 2 2 319.449 3.492 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348876431 434541631 /nfs/dbraw/zinc/54/16/31/434541631.db2.gz MJOAJSKDSONKER-PBWFPOADSA-N 2 2 319.449 3.492 20 0 DGADLP CC(C)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000353962228 434547257 /nfs/dbraw/zinc/54/72/57/434547257.db2.gz WJBCCMPQHOLJFD-QGZVFWFLSA-N 2 2 301.459 3.446 20 0 DGADLP CC(C)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000353962228 434547262 /nfs/dbraw/zinc/54/72/62/434547262.db2.gz WJBCCMPQHOLJFD-QGZVFWFLSA-N 2 2 301.459 3.446 20 0 DGADLP CC(C)CN(CC[NH+](C)C)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000348923038 434556601 /nfs/dbraw/zinc/55/66/01/434556601.db2.gz RKEKAHLCCAZUNG-UHFFFAOYSA-N 2 2 308.857 3.007 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000353995914 434565513 /nfs/dbraw/zinc/56/55/13/434565513.db2.gz MDXZHRHIAXTYJC-AEFFLSMTSA-N 2 2 304.503 3.481 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000353995914 434565518 /nfs/dbraw/zinc/56/55/18/434565518.db2.gz MDXZHRHIAXTYJC-AEFFLSMTSA-N 2 2 304.503 3.481 20 0 DGADLP Cc1cc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000439129215 434569665 /nfs/dbraw/zinc/56/96/65/434569665.db2.gz QCKWPLQPYHJJHC-KDOFPFPSSA-N 2 2 310.445 3.188 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535282 295102175 /nfs/dbraw/zinc/10/21/75/295102175.db2.gz REWUBSXJEDJMIT-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535282 295102177 /nfs/dbraw/zinc/10/21/77/295102177.db2.gz REWUBSXJEDJMIT-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535282 295102178 /nfs/dbraw/zinc/10/21/78/295102178.db2.gz REWUBSXJEDJMIT-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535282 295102181 /nfs/dbraw/zinc/10/21/81/295102181.db2.gz REWUBSXJEDJMIT-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527646717 295109144 /nfs/dbraw/zinc/10/91/44/295109144.db2.gz XFWGJGZTYPEWFJ-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP OCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527655867 295110929 /nfs/dbraw/zinc/11/09/29/295110929.db2.gz SXRCYVXZMLOYFA-UFYCRDLUSA-N 2 2 316.489 3.149 20 0 DGADLP OCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527655867 295110930 /nfs/dbraw/zinc/11/09/30/295110930.db2.gz SXRCYVXZMLOYFA-UFYCRDLUSA-N 2 2 316.489 3.149 20 0 DGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000527695343 295116785 /nfs/dbraw/zinc/11/67/85/295116785.db2.gz NIUIUQSUXZZUJR-OCCSQVGLSA-N 2 2 315.408 3.301 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)cs1 ZINC000459378457 434572566 /nfs/dbraw/zinc/57/25/66/434572566.db2.gz OHINREWHJOTQAA-UHFFFAOYSA-N 2 2 317.458 3.428 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000527798636 295132100 /nfs/dbraw/zinc/13/21/00/295132100.db2.gz GTSXMXRAUSQUTP-SWLSCSKDSA-N 2 2 315.436 3.373 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000527798636 295132103 /nfs/dbraw/zinc/13/21/03/295132103.db2.gz GTSXMXRAUSQUTP-SWLSCSKDSA-N 2 2 315.436 3.373 20 0 DGADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC(C)C)ccc1Oc1cc[nH+]cc1 ZINC000423906622 434573543 /nfs/dbraw/zinc/57/35/43/434573543.db2.gz NJQNFBBELLBKEM-INIZCTEOSA-N 2 2 313.401 3.494 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc(C)ccc1C ZINC000527819592 295135867 /nfs/dbraw/zinc/13/58/67/295135867.db2.gz JWGMBPLYKUFXTM-KRWDZBQOSA-N 2 2 300.450 3.344 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CC12CC2 ZINC000527872281 295143565 /nfs/dbraw/zinc/14/35/65/295143565.db2.gz SMLKSGDYFMNTOY-SJORKVTESA-N 2 2 306.494 3.047 20 0 DGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)OCC ZINC000527928756 295152005 /nfs/dbraw/zinc/15/20/05/295152005.db2.gz GQBAKARKRUNCGU-QXAKKESOSA-N 2 2 319.493 3.087 20 0 DGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)OCC ZINC000527928756 295152006 /nfs/dbraw/zinc/15/20/06/295152006.db2.gz GQBAKARKRUNCGU-QXAKKESOSA-N 2 2 319.493 3.087 20 0 DGADLP COCCC1CC[NH+](C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000527932221 295152796 /nfs/dbraw/zinc/15/27/96/295152796.db2.gz FLPRZJCUYAPDBG-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP CC[NH+](CC)CCCC1CCN(c2[nH+]cccc2OC)CC1 ZINC000527959997 295157255 /nfs/dbraw/zinc/15/72/55/295157255.db2.gz QFWJBYJFDDPKAO-UHFFFAOYSA-N 2 2 305.466 3.429 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000459402219 434580536 /nfs/dbraw/zinc/58/05/36/434580536.db2.gz FLHQZYVSXIOMKC-UHFFFAOYSA-N 2 2 303.356 3.030 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000459402219 434580541 /nfs/dbraw/zinc/58/05/41/434580541.db2.gz FLHQZYVSXIOMKC-UHFFFAOYSA-N 2 2 303.356 3.030 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(C)c1OC ZINC000423399651 295208571 /nfs/dbraw/zinc/20/85/71/295208571.db2.gz WMOPUPFKQJHUJB-RHSMWYFYSA-N 2 2 320.477 3.441 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407514 295209752 /nfs/dbraw/zinc/20/97/52/295209752.db2.gz QCQPJEALXQQLNJ-OCCSQVGLSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407514 295209753 /nfs/dbraw/zinc/20/97/53/295209753.db2.gz QCQPJEALXQQLNJ-OCCSQVGLSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407514 295209755 /nfs/dbraw/zinc/20/97/55/295209755.db2.gz QCQPJEALXQQLNJ-OCCSQVGLSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407514 295209756 /nfs/dbraw/zinc/20/97/56/295209756.db2.gz QCQPJEALXQQLNJ-OCCSQVGLSA-N 2 2 313.367 3.017 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528443024 295214509 /nfs/dbraw/zinc/21/45/09/295214509.db2.gz ZWUFPJHPYZTRAC-KBPBESRZSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528443024 295214510 /nfs/dbraw/zinc/21/45/10/295214510.db2.gz ZWUFPJHPYZTRAC-KBPBESRZSA-N 2 2 307.869 3.478 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423382615 295216981 /nfs/dbraw/zinc/21/69/81/295216981.db2.gz DMNIRZFSJGFTTJ-HZMBPMFUSA-N 2 2 315.255 3.092 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286043842 295238010 /nfs/dbraw/zinc/23/80/10/295238010.db2.gz KRCKFYHJAVJWTQ-AEGPPILISA-N 2 2 318.461 3.288 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286043842 295238011 /nfs/dbraw/zinc/23/80/11/295238011.db2.gz KRCKFYHJAVJWTQ-AEGPPILISA-N 2 2 318.461 3.288 20 0 DGADLP CC1(C)Cc2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000354025995 434583901 /nfs/dbraw/zinc/58/39/01/434583901.db2.gz LSPQHSUWCBQZAB-SFHVURJKSA-N 2 2 324.424 3.448 20 0 DGADLP CC1(C)Cc2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000354025995 434583909 /nfs/dbraw/zinc/58/39/09/434583909.db2.gz LSPQHSUWCBQZAB-SFHVURJKSA-N 2 2 324.424 3.448 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000459480492 434586897 /nfs/dbraw/zinc/58/68/97/434586897.db2.gz ODLICWREUOJOQE-ROUUACIJSA-N 2 2 313.445 3.141 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000459480492 434586901 /nfs/dbraw/zinc/58/69/01/434586901.db2.gz ODLICWREUOJOQE-ROUUACIJSA-N 2 2 313.445 3.141 20 0 DGADLP Cc1ccc(CN(CCCc2c[nH+]ccc2C)CC[NH+](C)C)o1 ZINC000349063029 434594258 /nfs/dbraw/zinc/59/42/58/434594258.db2.gz OPRQEHLGBBRUQU-UHFFFAOYSA-N 2 2 315.461 3.288 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)[C@@H]1SC ZINC000459530357 434596199 /nfs/dbraw/zinc/59/61/99/434596199.db2.gz MFNTVFNCZBVWEJ-DEORAPPZSA-N 2 2 322.518 3.176 20 0 DGADLP Cn1c2c(cccc2F)[nH+]c1N1CCC(CCC[NH+](C)C)CC1 ZINC000409734632 434619151 /nfs/dbraw/zinc/61/91/51/434619151.db2.gz XNRTZYUYZKJKNB-UHFFFAOYSA-N 2 2 318.440 3.271 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105864 434620778 /nfs/dbraw/zinc/62/07/78/434620778.db2.gz FNCBOAJPISWJDB-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105864 434620787 /nfs/dbraw/zinc/62/07/87/434620787.db2.gz FNCBOAJPISWJDB-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105864 434620792 /nfs/dbraw/zinc/62/07/92/434620792.db2.gz FNCBOAJPISWJDB-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105864 434620799 /nfs/dbraw/zinc/62/07/99/434620799.db2.gz FNCBOAJPISWJDB-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354109050 434624086 /nfs/dbraw/zinc/62/40/86/434624086.db2.gz IIXSXJQRJNEXBG-GDBMZVCRSA-N 2 2 323.506 3.158 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354109050 434624092 /nfs/dbraw/zinc/62/40/92/434624092.db2.gz IIXSXJQRJNEXBG-GDBMZVCRSA-N 2 2 323.506 3.158 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000349199024 434634088 /nfs/dbraw/zinc/63/40/88/434634088.db2.gz XMSNBGIJOLFLMW-QGZVFWFLSA-N 2 2 313.445 3.444 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000349199024 434634092 /nfs/dbraw/zinc/63/40/92/434634092.db2.gz XMSNBGIJOLFLMW-QGZVFWFLSA-N 2 2 313.445 3.444 20 0 DGADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c(C)n1 ZINC000439688586 434635924 /nfs/dbraw/zinc/63/59/24/434635924.db2.gz HOLIQZHBBBSKNJ-SFHVURJKSA-N 2 2 310.445 3.133 20 0 DGADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c(C)n1 ZINC000439688586 434635929 /nfs/dbraw/zinc/63/59/29/434635929.db2.gz HOLIQZHBBBSKNJ-SFHVURJKSA-N 2 2 310.445 3.133 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000360561544 434637007 /nfs/dbraw/zinc/63/70/07/434637007.db2.gz JEBNZPGEPSEOJR-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000360561544 434637016 /nfs/dbraw/zinc/63/70/16/434637016.db2.gz JEBNZPGEPSEOJR-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Cc1cccc2oc(CC[NH2+]Cc3c[nH+]c4c(C)cccn34)nc21 ZINC000410318874 434638873 /nfs/dbraw/zinc/63/88/73/434638873.db2.gz RKWLPRCQGSFNFC-UHFFFAOYSA-N 2 2 320.396 3.425 20 0 DGADLP COc1cc[nH+]cc1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424156229 434639647 /nfs/dbraw/zinc/63/96/47/434639647.db2.gz OEGNQBIYPWSYAM-CQSZACIVSA-N 2 2 305.422 3.107 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cncc(F)c2)CC1 ZINC000349237285 434644113 /nfs/dbraw/zinc/64/41/13/434644113.db2.gz FGDLAVGMDBIZPK-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cncc(F)c2)CC1 ZINC000349237285 434644120 /nfs/dbraw/zinc/64/41/20/434644120.db2.gz FGDLAVGMDBIZPK-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP Cc1cc(NC2CC[NH+](CC(F)F)CC2)ccc1C[NH+](C)C ZINC000459748900 434693552 /nfs/dbraw/zinc/69/35/52/434693552.db2.gz GVPVMJJPBSGXFJ-UHFFFAOYSA-N 2 2 311.420 3.198 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000349382655 434698578 /nfs/dbraw/zinc/69/85/78/434698578.db2.gz KJSIYMSYUMCOER-UHFFFAOYSA-N 2 2 314.477 3.263 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000349382655 434698585 /nfs/dbraw/zinc/69/85/85/434698585.db2.gz KJSIYMSYUMCOER-UHFFFAOYSA-N 2 2 314.477 3.263 20 0 DGADLP c1csc([C@H](Cc2ccncc2)[NH2+]CC[NH+]2CCCC2)c1 ZINC000424254773 434666437 /nfs/dbraw/zinc/66/64/37/434666437.db2.gz HBGFPVIGZAVMSB-INIZCTEOSA-N 2 2 301.459 3.112 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c[nH+]1 ZINC000354214856 434672455 /nfs/dbraw/zinc/67/24/55/434672455.db2.gz FGNTYUHSIIBIFF-UHFFFAOYSA-N 2 2 323.440 3.005 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000424328670 434699739 /nfs/dbraw/zinc/69/97/39/434699739.db2.gz FKSZDSVEYGQZQJ-GUDVDZBRSA-N 2 2 323.440 3.226 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226473 434678500 /nfs/dbraw/zinc/67/85/00/434678500.db2.gz WIGWXWLYDYRADW-DZGCQCFKSA-N 2 2 303.406 3.239 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226473 434678507 /nfs/dbraw/zinc/67/85/07/434678507.db2.gz WIGWXWLYDYRADW-DZGCQCFKSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226473 434678513 /nfs/dbraw/zinc/67/85/13/434678513.db2.gz WIGWXWLYDYRADW-DZGCQCFKSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226473 434678520 /nfs/dbraw/zinc/67/85/20/434678520.db2.gz WIGWXWLYDYRADW-DZGCQCFKSA-N 2 2 303.406 3.239 20 0 DGADLP Cc1nc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000354384960 434745095 /nfs/dbraw/zinc/74/50/95/434745095.db2.gz HRUGUTPIGMEJSB-AHIWAGSCSA-N 2 2 302.466 3.243 20 0 DGADLP Cc1nc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000354384960 434745099 /nfs/dbraw/zinc/74/50/99/434745099.db2.gz HRUGUTPIGMEJSB-AHIWAGSCSA-N 2 2 302.466 3.243 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCCc3ccsc3)CC2)c1 ZINC000360974823 434749239 /nfs/dbraw/zinc/74/92/39/434749239.db2.gz JOEBCKNQMDDMMQ-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419212358 434752296 /nfs/dbraw/zinc/75/22/96/434752296.db2.gz ZUVRLLWIARUKER-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419212358 434752305 /nfs/dbraw/zinc/75/23/05/434752305.db2.gz ZUVRLLWIARUKER-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP Cc1nc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc[nH+]1 ZINC000360975642 434752595 /nfs/dbraw/zinc/75/25/95/434752595.db2.gz VVIXDLZWMPPBRN-HNNXBMFYSA-N 2 2 310.445 3.193 20 0 DGADLP Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc[nH+]1 ZINC000360975642 434752598 /nfs/dbraw/zinc/75/25/98/434752598.db2.gz VVIXDLZWMPPBRN-HNNXBMFYSA-N 2 2 310.445 3.193 20 0 DGADLP CO[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000354274537 434700558 /nfs/dbraw/zinc/70/05/58/434700558.db2.gz YAVLVCIGKZFBJE-INIZCTEOSA-N 2 2 315.804 3.465 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(Cl)c1 ZINC000424340912 434702975 /nfs/dbraw/zinc/70/29/75/434702975.db2.gz ZGCJMKMAAHKJPS-NWANDNLSSA-N 2 2 323.868 3.143 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3[nH+]ccn31)CCCO2 ZINC000354284502 434704560 /nfs/dbraw/zinc/70/45/60/434704560.db2.gz XGAZQZCRUHXFST-MRXNPFEDSA-N 2 2 311.360 3.477 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1C1CCCCC1 ZINC000349408332 434705921 /nfs/dbraw/zinc/70/59/21/434705921.db2.gz PIHBZIHRWNHUSK-UHFFFAOYSA-N 2 2 306.498 3.241 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1C1CCCCC1 ZINC000349408332 434705928 /nfs/dbraw/zinc/70/59/28/434705928.db2.gz PIHBZIHRWNHUSK-UHFFFAOYSA-N 2 2 306.498 3.241 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424365721 434711306 /nfs/dbraw/zinc/71/13/06/434711306.db2.gz HSECSTQXIOAXJV-QZTJIDSGSA-N 2 2 311.429 3.117 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCC2 ZINC000424381325 434716535 /nfs/dbraw/zinc/71/65/35/434716535.db2.gz YLASFLNVDWPDKN-MCIONIFRSA-N 2 2 320.433 3.002 20 0 DGADLP CC(=O)Nc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354349254 434730982 /nfs/dbraw/zinc/73/09/82/434730982.db2.gz RVUJYGBSJZSKHE-UHFFFAOYSA-N 2 2 311.429 3.113 20 0 DGADLP Cc1cc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc[nH+]1 ZINC000411197204 434742043 /nfs/dbraw/zinc/74/20/43/434742043.db2.gz GOYVZOKTRXCEPT-UHFFFAOYSA-N 2 2 309.413 3.050 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000411330640 434764079 /nfs/dbraw/zinc/76/40/79/434764079.db2.gz SQDFGYQDOVTTNN-ROUUACIJSA-N 2 2 311.404 3.207 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000361009122 434765135 /nfs/dbraw/zinc/76/51/35/434765135.db2.gz OUNCQIIACMUGRK-GJZGRUSLSA-N 2 2 324.852 3.089 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)N[C@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000443195647 434775314 /nfs/dbraw/zinc/77/53/14/434775314.db2.gz JCTNJMWEESNICP-UXLLHSPISA-N 2 2 300.450 3.071 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ncco2)cc1F ZINC000411421515 434779774 /nfs/dbraw/zinc/77/97/74/434779774.db2.gz KUBVAQUGKCXVQP-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ncco2)cc1F ZINC000411421515 434779777 /nfs/dbraw/zinc/77/97/77/434779777.db2.gz KUBVAQUGKCXVQP-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361056944 434781026 /nfs/dbraw/zinc/78/10/26/434781026.db2.gz JQCGQAWUQAOIEQ-LJQANCHMSA-N 3 2 318.509 3.250 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361056944 434781033 /nfs/dbraw/zinc/78/10/33/434781033.db2.gz JQCGQAWUQAOIEQ-LJQANCHMSA-N 3 2 318.509 3.250 20 0 DGADLP Cc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000361055960 434781774 /nfs/dbraw/zinc/78/17/74/434781774.db2.gz GEBRNRDMQWHFIQ-UHFFFAOYSA-N 2 2 304.463 3.340 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361059564 434781834 /nfs/dbraw/zinc/78/18/34/434781834.db2.gz GSTVSYOFPCVBQS-QGZVFWFLSA-N 2 2 321.465 3.107 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](CCOc1cccc(Cl)c1)CC2 ZINC000411441423 434782559 /nfs/dbraw/zinc/78/25/59/434782559.db2.gz JEQUZYQIVRNBCW-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](CCOc1cccc(Cl)c1)CC2 ZINC000411441423 434782562 /nfs/dbraw/zinc/78/25/62/434782562.db2.gz JEQUZYQIVRNBCW-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000453076506 434793154 /nfs/dbraw/zinc/79/31/54/434793154.db2.gz HXRNYDJLFNNOLC-QGZVFWFLSA-N 2 2 316.493 3.186 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108082 434797910 /nfs/dbraw/zinc/79/79/10/434797910.db2.gz RJPGJHWOAOYDHH-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108082 434797911 /nfs/dbraw/zinc/79/79/11/434797911.db2.gz RJPGJHWOAOYDHH-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108082 434797912 /nfs/dbraw/zinc/79/79/12/434797912.db2.gz RJPGJHWOAOYDHH-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108082 434797913 /nfs/dbraw/zinc/79/79/13/434797913.db2.gz RJPGJHWOAOYDHH-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250446 434840365 /nfs/dbraw/zinc/84/03/65/434840365.db2.gz AGQRDZXRRAGIEQ-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250446 434840369 /nfs/dbraw/zinc/84/03/69/434840369.db2.gz AGQRDZXRRAGIEQ-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453252063 434840587 /nfs/dbraw/zinc/84/05/87/434840587.db2.gz BONRJPHKRKKQJJ-MOPGFXCFSA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453252063 434840590 /nfs/dbraw/zinc/84/05/90/434840590.db2.gz BONRJPHKRKKQJJ-MOPGFXCFSA-N 2 2 304.478 3.210 20 0 DGADLP CC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(F)F ZINC000453251402 434840894 /nfs/dbraw/zinc/84/08/94/434840894.db2.gz TVKBICSTLYHXLS-DOMZBBRYSA-N 2 2 300.393 3.321 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C2CCC2)cc1 ZINC000453254195 434842439 /nfs/dbraw/zinc/84/24/39/434842439.db2.gz DGYYKKHQMFQGPZ-VQTJNVASSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C2CCC2)cc1 ZINC000453254195 434842441 /nfs/dbraw/zinc/84/24/41/434842441.db2.gz DGYYKKHQMFQGPZ-VQTJNVASSA-N 2 2 316.489 3.273 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261585 434843740 /nfs/dbraw/zinc/84/37/40/434843740.db2.gz RYGXFRSHMBUKBZ-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261585 434843743 /nfs/dbraw/zinc/84/37/43/434843743.db2.gz RYGXFRSHMBUKBZ-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453264138 434844424 /nfs/dbraw/zinc/84/44/24/434844424.db2.gz UXAYLOCYFLCJIA-APWZRJJASA-N 2 2 304.478 3.137 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453264138 434844427 /nfs/dbraw/zinc/84/44/27/434844427.db2.gz UXAYLOCYFLCJIA-APWZRJJASA-N 2 2 304.478 3.137 20 0 DGADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453268637 434845394 /nfs/dbraw/zinc/84/53/94/434845394.db2.gz QLCFFQULBPSMAT-OALUTQOASA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453268637 434845399 /nfs/dbraw/zinc/84/53/99/434845399.db2.gz QLCFFQULBPSMAT-OALUTQOASA-N 2 2 304.478 3.354 20 0 DGADLP Cc1cc(C)c(/C=C\C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1C ZINC000637813761 434884951 /nfs/dbraw/zinc/88/49/51/434884951.db2.gz CPMKXXAEOPVSAW-WAYWQWQTSA-N 2 2 316.489 3.014 20 0 DGADLP Cc1cc(C)c(/C=C\C[N@H+](CCO)C2CC[NH+](C)CC2)cc1C ZINC000637813761 434884956 /nfs/dbraw/zinc/88/49/56/434884956.db2.gz CPMKXXAEOPVSAW-WAYWQWQTSA-N 2 2 316.489 3.014 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000573410220 434896999 /nfs/dbraw/zinc/89/69/99/434896999.db2.gz TXXWUDLEBUBGPZ-QAPCUYQASA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000573410220 434897003 /nfs/dbraw/zinc/89/70/03/434897003.db2.gz TXXWUDLEBUBGPZ-QAPCUYQASA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000573536660 434906811 /nfs/dbraw/zinc/90/68/11/434906811.db2.gz PFBPYIAHHBKLRT-OAHLLOKOSA-N 2 2 319.424 3.279 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000573664325 434915454 /nfs/dbraw/zinc/91/54/54/434915454.db2.gz SIUBHPUGDRVBML-GJZGRUSLSA-N 2 2 305.466 3.291 20 0 DGADLP CC(C)c1[nH+]c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c2ccccn21 ZINC000573096657 434874434 /nfs/dbraw/zinc/87/44/34/434874434.db2.gz DUUFLITYQKXNCK-NVXWUHKLSA-N 2 2 313.445 3.459 20 0 DGADLP CC(C)c1[nH+]c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c2ccccn21 ZINC000573096657 434874437 /nfs/dbraw/zinc/87/44/37/434874437.db2.gz DUUFLITYQKXNCK-NVXWUHKLSA-N 2 2 313.445 3.459 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000554557452 434936596 /nfs/dbraw/zinc/93/65/96/434936596.db2.gz OIBNAUVMZCFHIB-BHIYHBOVSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000554557452 434936600 /nfs/dbraw/zinc/93/66/00/434936600.db2.gz OIBNAUVMZCFHIB-BHIYHBOVSA-N 2 2 314.473 3.056 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000638066493 434944903 /nfs/dbraw/zinc/94/49/03/434944903.db2.gz IJQDVTMPFRBYMR-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000638066493 434944905 /nfs/dbraw/zinc/94/49/05/434944905.db2.gz IJQDVTMPFRBYMR-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000638066493 434944910 /nfs/dbraw/zinc/94/49/10/434944910.db2.gz IJQDVTMPFRBYMR-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000638066493 434944912 /nfs/dbraw/zinc/94/49/12/434944912.db2.gz IJQDVTMPFRBYMR-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000492272169 434948912 /nfs/dbraw/zinc/94/89/12/434948912.db2.gz ASFVPLHKDNMQKS-OAHLLOKOSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1ccc(CCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000492272169 434948915 /nfs/dbraw/zinc/94/89/15/434948915.db2.gz ASFVPLHKDNMQKS-OAHLLOKOSA-N 2 2 321.465 3.168 20 0 DGADLP CCC[N@H+](CCCc1c[nH+]ccc1C)CC(=O)OC(C)(C)C ZINC000554862000 434949769 /nfs/dbraw/zinc/94/97/69/434949769.db2.gz ZUGKNJZDSPBFOT-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP CCC[N@@H+](CCCc1c[nH+]ccc1C)CC(=O)OC(C)(C)C ZINC000554862000 434949772 /nfs/dbraw/zinc/94/97/72/434949772.db2.gz ZUGKNJZDSPBFOT-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109807 434955812 /nfs/dbraw/zinc/95/58/12/434955812.db2.gz HKFMWIWHHUDYHN-HUUCEWRRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109807 434955816 /nfs/dbraw/zinc/95/58/16/434955816.db2.gz HKFMWIWHHUDYHN-HUUCEWRRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109807 434955820 /nfs/dbraw/zinc/95/58/20/434955820.db2.gz HKFMWIWHHUDYHN-HUUCEWRRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109807 434955823 /nfs/dbraw/zinc/95/58/23/434955823.db2.gz HKFMWIWHHUDYHN-HUUCEWRRSA-N 2 2 306.450 3.008 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(Cl)c1OC ZINC000574216761 434960980 /nfs/dbraw/zinc/96/09/80/434960980.db2.gz FVFPKIGEVPAEHD-AAEUAGOBSA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(Cl)c1OC ZINC000574216761 434960985 /nfs/dbraw/zinc/96/09/85/434960985.db2.gz FVFPKIGEVPAEHD-AAEUAGOBSA-N 2 2 312.841 3.059 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638186495 434974688 /nfs/dbraw/zinc/97/46/88/434974688.db2.gz VFDUAYNECHBOOU-ZFWWWQNUSA-N 2 2 309.404 3.202 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017875 434933255 /nfs/dbraw/zinc/93/32/55/434933255.db2.gz JFOUXHQLUQLJKN-IEBWSBKVSA-N 2 2 310.445 3.047 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017875 434933259 /nfs/dbraw/zinc/93/32/59/434933259.db2.gz JFOUXHQLUQLJKN-IEBWSBKVSA-N 2 2 310.445 3.047 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638018885 434934020 /nfs/dbraw/zinc/93/40/20/434934020.db2.gz VSABZKADYTVWTN-ZDUSSCGKSA-N 2 2 321.808 3.088 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638018885 434934024 /nfs/dbraw/zinc/93/40/24/434934024.db2.gz VSABZKADYTVWTN-ZDUSSCGKSA-N 2 2 321.808 3.088 20 0 DGADLP Cc1cc(C[NH3+])oc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000638294561 434999257 /nfs/dbraw/zinc/99/92/57/434999257.db2.gz SRACPLXPWGTXPB-UHFFFAOYSA-N 2 2 324.384 3.063 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cc(C2CC2)no1 ZINC000638298867 434999751 /nfs/dbraw/zinc/99/97/51/434999751.db2.gz VQPSNYQNQJSSEP-UHFFFAOYSA-N 2 2 310.401 3.390 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638326730 435004752 /nfs/dbraw/zinc/00/47/52/435004752.db2.gz UAZPBVPNYYCDPR-CZUORRHYSA-N 2 2 308.416 3.457 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638326730 435004755 /nfs/dbraw/zinc/00/47/55/435004755.db2.gz UAZPBVPNYYCDPR-CZUORRHYSA-N 2 2 308.416 3.457 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000578140456 435063865 /nfs/dbraw/zinc/06/38/65/435063865.db2.gz JOGXWKKKGOFKBO-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000578140456 435063868 /nfs/dbraw/zinc/06/38/68/435063868.db2.gz JOGXWKKKGOFKBO-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638688588 435070041 /nfs/dbraw/zinc/07/00/41/435070041.db2.gz HBZDEEREOXMOMJ-RDTXWAMCSA-N 2 2 321.428 3.408 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638708140 435073832 /nfs/dbraw/zinc/07/38/32/435073832.db2.gz ZGLWNXPZAMGSHG-JLAWEPINSA-N 2 2 302.462 3.056 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638708140 435073837 /nfs/dbraw/zinc/07/38/37/435073837.db2.gz ZGLWNXPZAMGSHG-JLAWEPINSA-N 2 2 302.462 3.056 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000558151929 435078242 /nfs/dbraw/zinc/07/82/42/435078242.db2.gz FWEGHPGSNLSDAX-KRWDZBQOSA-N 2 2 304.478 3.055 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000558151929 435078247 /nfs/dbraw/zinc/07/82/47/435078247.db2.gz FWEGHPGSNLSDAX-KRWDZBQOSA-N 2 2 304.478 3.055 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000638758909 435083283 /nfs/dbraw/zinc/08/32/83/435083283.db2.gz DBWORQLQHFFKLY-WEOZKBJRSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000638758909 435083289 /nfs/dbraw/zinc/08/32/89/435083289.db2.gz DBWORQLQHFFKLY-WEOZKBJRSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000578494424 435087504 /nfs/dbraw/zinc/08/75/04/435087504.db2.gz SCJJGSDXPQNZPB-JYPHPWERSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000578494424 435087508 /nfs/dbraw/zinc/08/75/08/435087508.db2.gz SCJJGSDXPQNZPB-JYPHPWERSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638788466 435089303 /nfs/dbraw/zinc/08/93/03/435089303.db2.gz KLRXEGHCEUBFAQ-CPUCHLNUSA-N 2 2 305.491 3.091 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]CCC[C@@H]2CCO2)[NH+]2CCCC2)cc1 ZINC000638455985 435035837 /nfs/dbraw/zinc/03/58/37/435035837.db2.gz ZNHLMFBSRUJTMA-RTBURBONSA-N 2 2 302.462 3.291 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000532198238 435147177 /nfs/dbraw/zinc/14/71/77/435147177.db2.gz GUSUTHLNFDWMAN-ZACQAIPSSA-N 2 2 320.477 3.154 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000638848252 435102608 /nfs/dbraw/zinc/10/26/08/435102608.db2.gz WKWVWKJYTQKWDW-NQIIRXRSSA-N 2 2 323.484 3.405 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638849520 435103594 /nfs/dbraw/zinc/10/35/94/435103594.db2.gz VRCRNOMSTMODSS-UHFFFAOYSA-N 2 2 319.399 3.477 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000638865977 435107416 /nfs/dbraw/zinc/10/74/16/435107416.db2.gz NGIMNRTYWPMVAA-QFBILLFUSA-N 2 2 311.429 3.441 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000638865977 435107419 /nfs/dbraw/zinc/10/74/19/435107419.db2.gz NGIMNRTYWPMVAA-QFBILLFUSA-N 2 2 311.429 3.441 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683411 435109302 /nfs/dbraw/zinc/10/93/02/435109302.db2.gz KLXLZMQDUHHBPZ-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683411 435109308 /nfs/dbraw/zinc/10/93/08/435109308.db2.gz KLXLZMQDUHHBPZ-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP Cn1c(CCC[NH2+]Cc2nc3ccccc3o2)[nH+]c2ccccc21 ZINC000638872485 435110985 /nfs/dbraw/zinc/11/09/85/435110985.db2.gz VCIFANWKTYUXTB-UHFFFAOYSA-N 2 2 320.396 3.437 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+]1C ZINC000531737228 435114768 /nfs/dbraw/zinc/11/47/68/435114768.db2.gz WWWKTBWGFSSYMU-XOKHGSTOSA-N 2 2 309.885 3.015 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)CC[N@H+]1C ZINC000531737228 435114773 /nfs/dbraw/zinc/11/47/73/435114773.db2.gz WWWKTBWGFSSYMU-XOKHGSTOSA-N 2 2 309.885 3.015 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917174 435117484 /nfs/dbraw/zinc/11/74/84/435117484.db2.gz AXGKBZPUMILNDS-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917174 435117488 /nfs/dbraw/zinc/11/74/88/435117488.db2.gz AXGKBZPUMILNDS-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917174 435117489 /nfs/dbraw/zinc/11/74/89/435117489.db2.gz AXGKBZPUMILNDS-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917174 435117492 /nfs/dbraw/zinc/11/74/92/435117492.db2.gz AXGKBZPUMILNDS-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000578979040 435122721 /nfs/dbraw/zinc/12/27/21/435122721.db2.gz LCRWCGFADSUXOP-XUVXKRRUSA-N 2 2 322.452 3.418 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C2(C[NH+](C)C)CCC2)cc1F ZINC000467539006 435124772 /nfs/dbraw/zinc/12/47/72/435124772.db2.gz CEMMJRWXJABQFB-CQSZACIVSA-N 2 2 308.441 3.087 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CCOCC1 ZINC000531962589 435131120 /nfs/dbraw/zinc/13/11/20/435131120.db2.gz SBZHYGYOTOCNOU-MOPGFXCFSA-N 2 2 304.478 3.393 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CC(OC(C)(C)C)C2)Cc2ccccc2C1 ZINC000493245849 435133441 /nfs/dbraw/zinc/13/34/41/435133441.db2.gz FXWCKEBRIYEUAP-UHFFFAOYSA-N 2 2 316.489 3.021 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052839 435136586 /nfs/dbraw/zinc/13/65/86/435136586.db2.gz ZQKGNRVSTZOYOY-KDOFPFPSSA-N 2 2 313.420 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052839 435136590 /nfs/dbraw/zinc/13/65/90/435136590.db2.gz ZQKGNRVSTZOYOY-KDOFPFPSSA-N 2 2 313.420 3.018 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000559636987 435137190 /nfs/dbraw/zinc/13/71/90/435137190.db2.gz SERVGPGVKJQTPB-CQSZACIVSA-N 2 2 318.852 3.056 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000559636987 435137194 /nfs/dbraw/zinc/13/71/94/435137194.db2.gz SERVGPGVKJQTPB-CQSZACIVSA-N 2 2 318.852 3.056 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000559892769 435141185 /nfs/dbraw/zinc/14/11/85/435141185.db2.gz HNVFMVKRRMXDAW-NSISKUIASA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000559892769 435141188 /nfs/dbraw/zinc/14/11/88/435141188.db2.gz HNVFMVKRRMXDAW-NSISKUIASA-N 2 2 316.489 3.371 20 0 DGADLP CC1=CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902008 435143118 /nfs/dbraw/zinc/14/31/18/435143118.db2.gz OXTWCTZQVVZILJ-VQTJNVASSA-N 2 2 314.473 3.366 20 0 DGADLP CC1=CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902008 435143120 /nfs/dbraw/zinc/14/31/20/435143120.db2.gz OXTWCTZQVVZILJ-VQTJNVASSA-N 2 2 314.473 3.366 20 0 DGADLP C[NH+](C)CCCC(C)(C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000639231963 435207424 /nfs/dbraw/zinc/20/74/24/435207424.db2.gz XNZVGNWICZIDLR-OAHLLOKOSA-N 2 2 307.486 3.136 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2N)CC[N@@H+]1Cc1ccccc1 ZINC000639188121 435191671 /nfs/dbraw/zinc/19/16/71/435191671.db2.gz QNJKPWPWPVGYRG-RDTXWAMCSA-N 2 2 313.420 3.161 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2N)CC[N@H+]1Cc1ccccc1 ZINC000639188121 435191675 /nfs/dbraw/zinc/19/16/75/435191675.db2.gz QNJKPWPWPVGYRG-RDTXWAMCSA-N 2 2 313.420 3.161 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779162 435191676 /nfs/dbraw/zinc/19/16/76/435191676.db2.gz LOCYOWDNSYXVOS-OCCSQVGLSA-N 2 2 311.857 3.048 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779162 435191679 /nfs/dbraw/zinc/19/16/79/435191679.db2.gz LOCYOWDNSYXVOS-OCCSQVGLSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779162 435191683 /nfs/dbraw/zinc/19/16/83/435191683.db2.gz LOCYOWDNSYXVOS-OCCSQVGLSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779162 435191685 /nfs/dbraw/zinc/19/16/85/435191685.db2.gz LOCYOWDNSYXVOS-OCCSQVGLSA-N 2 2 311.857 3.048 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CC(n3cccn3)C2)CCC1 ZINC000639228073 435204037 /nfs/dbraw/zinc/20/40/37/435204037.db2.gz UBLIXKNYEUWQPB-UHFFFAOYSA-N 2 2 324.472 3.231 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CC(n3cccn3)C2)CCC1 ZINC000639228073 435204039 /nfs/dbraw/zinc/20/40/39/435204039.db2.gz UBLIXKNYEUWQPB-UHFFFAOYSA-N 2 2 324.472 3.231 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474801827 435162452 /nfs/dbraw/zinc/16/24/52/435162452.db2.gz ZOROYBTZZNZHDQ-LSDHHAIUSA-N 2 2 312.885 3.390 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474801827 435162456 /nfs/dbraw/zinc/16/24/56/435162456.db2.gz ZOROYBTZZNZHDQ-LSDHHAIUSA-N 2 2 312.885 3.390 20 0 DGADLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(Cl)cc1O ZINC000639125429 435164164 /nfs/dbraw/zinc/16/41/64/435164164.db2.gz VDBAQJMHHNRKNO-UHFFFAOYSA-N 2 2 324.852 3.161 20 0 DGADLP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000532448294 435166038 /nfs/dbraw/zinc/16/60/38/435166038.db2.gz QQSLZUSYENVFPS-LMRVLLHPSA-N 2 2 322.415 3.075 20 0 DGADLP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCCC[C@H]1C ZINC000532448294 435166040 /nfs/dbraw/zinc/16/60/40/435166040.db2.gz QQSLZUSYENVFPS-LMRVLLHPSA-N 2 2 322.415 3.075 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507082 435172067 /nfs/dbraw/zinc/17/20/67/435172067.db2.gz VOBXZKPRVAYGCZ-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507082 435172070 /nfs/dbraw/zinc/17/20/70/435172070.db2.gz VOBXZKPRVAYGCZ-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCC2 ZINC000639149865 435174913 /nfs/dbraw/zinc/17/49/13/435174913.db2.gz VMKFXFRSCPCMIU-CVEARBPZSA-N 2 2 317.477 3.435 20 0 DGADLP c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000639163038 435178496 /nfs/dbraw/zinc/17/84/96/435178496.db2.gz WLRHQOCKGHWKFT-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000639163038 435178500 /nfs/dbraw/zinc/17/85/00/435178500.db2.gz WLRHQOCKGHWKFT-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000639163038 435178504 /nfs/dbraw/zinc/17/85/04/435178504.db2.gz WLRHQOCKGHWKFT-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sn1 ZINC000639163038 435178508 /nfs/dbraw/zinc/17/85/08/435178508.db2.gz WLRHQOCKGHWKFT-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000580302247 435221091 /nfs/dbraw/zinc/22/10/91/435221091.db2.gz CDUWDCURUKNQEZ-DNVCBOLYSA-N 2 2 323.440 3.027 20 0 DGADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2nc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC000639285056 435226879 /nfs/dbraw/zinc/22/68/79/435226879.db2.gz AVHWDRXSUDUTGJ-SJORKVTESA-N 2 2 321.424 3.263 20 0 DGADLP C[N@H+]1C[C@@H](C[NH2+]Cc2nc3ccccc3o2)[C@H](c2ccccc2)C1 ZINC000639285056 435226884 /nfs/dbraw/zinc/22/68/84/435226884.db2.gz AVHWDRXSUDUTGJ-SJORKVTESA-N 2 2 321.424 3.263 20 0 DGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000475698262 435208526 /nfs/dbraw/zinc/20/85/26/435208526.db2.gz NVUDLPLXDOTSNW-OAHLLOKOSA-N 2 2 322.880 3.057 20 0 DGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000475698262 435208529 /nfs/dbraw/zinc/20/85/29/435208529.db2.gz NVUDLPLXDOTSNW-OAHLLOKOSA-N 2 2 322.880 3.057 20 0 DGADLP CC[C@H](C)[C@@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241015 435211569 /nfs/dbraw/zinc/21/15/69/435211569.db2.gz AHUQXDCNDUOTDV-DZGCQCFKSA-N 2 2 324.431 3.396 20 0 DGADLP CC[C@H](C)[C@@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241015 435211570 /nfs/dbraw/zinc/21/15/70/435211570.db2.gz AHUQXDCNDUOTDV-DZGCQCFKSA-N 2 2 324.431 3.396 20 0 DGADLP CCn1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1C ZINC000580421316 435232267 /nfs/dbraw/zinc/23/22/67/435232267.db2.gz IHHJANMAFKPZLH-HKUYNNGSSA-N 2 2 312.461 3.103 20 0 DGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000639311219 435237755 /nfs/dbraw/zinc/23/77/55/435237755.db2.gz VOENADWYKMRQST-MJGOQNOKSA-N 2 2 324.472 3.254 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000639330063 435246433 /nfs/dbraw/zinc/24/64/33/435246433.db2.gz QLZUQLYXASDOFL-JTNHKYCSSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330063 435246440 /nfs/dbraw/zinc/24/64/40/435246440.db2.gz QLZUQLYXASDOFL-JTNHKYCSSA-N 2 2 317.260 3.099 20 0 DGADLP COCCCCc1ccc[nH+]c1NCc1c[nH+]c2ccccn12 ZINC000642944613 435257217 /nfs/dbraw/zinc/25/72/17/435257217.db2.gz NACQIGSJMMSODO-UHFFFAOYSA-N 2 2 310.401 3.311 20 0 DGADLP [NH3+]C1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000642998779 435258382 /nfs/dbraw/zinc/25/83/82/435258382.db2.gz DYZUSMBXVQPEHE-UHFFFAOYSA-N 2 2 320.234 3.679 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065368 435264794 /nfs/dbraw/zinc/26/47/94/435264794.db2.gz AOJJOXCHHBETCS-KYOSRNDESA-N 2 2 314.351 3.330 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065368 435264798 /nfs/dbraw/zinc/26/47/98/435264798.db2.gz AOJJOXCHHBETCS-KYOSRNDESA-N 2 2 314.351 3.330 20 0 DGADLP O[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@H](c2ccccc2)C1 ZINC000639365746 435268400 /nfs/dbraw/zinc/26/84/00/435268400.db2.gz GBAFXSMCSCEKSB-ROUUACIJSA-N 2 2 307.397 3.032 20 0 DGADLP O[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@H](c2ccccc2)C1 ZINC000639365746 435268407 /nfs/dbraw/zinc/26/84/07/435268407.db2.gz GBAFXSMCSCEKSB-ROUUACIJSA-N 2 2 307.397 3.032 20 0 DGADLP O[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@H](c2ccccc2)C1 ZINC000639365744 435268495 /nfs/dbraw/zinc/26/84/95/435268495.db2.gz GBAFXSMCSCEKSB-MSOLQXFVSA-N 2 2 307.397 3.032 20 0 DGADLP O[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@H](c2ccccc2)C1 ZINC000639365744 435268500 /nfs/dbraw/zinc/26/85/00/435268500.db2.gz GBAFXSMCSCEKSB-MSOLQXFVSA-N 2 2 307.397 3.032 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000639375417 435270949 /nfs/dbraw/zinc/27/09/49/435270949.db2.gz VIVSBSUSRRSFDO-UHFFFAOYSA-N 2 2 305.491 3.471 20 0 DGADLP Cn1ncc(C2CCC2)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374938 435271118 /nfs/dbraw/zinc/27/11/18/435271118.db2.gz MVQAZKQDTHIVMC-UHFFFAOYSA-N 2 2 316.493 3.138 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000639378122 435274198 /nfs/dbraw/zinc/27/41/98/435274198.db2.gz BGZMXRGCUIQBTO-UHFFFAOYSA-N 2 2 318.490 3.444 20 0 DGADLP CCC1([NH+](C)C)CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000639379486 435274562 /nfs/dbraw/zinc/27/45/62/435274562.db2.gz PCYRTRMMOOJBMQ-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000639378091 435274814 /nfs/dbraw/zinc/27/48/14/435274814.db2.gz ABNBQJQOAYXSLA-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)nc1 ZINC000639376295 435275007 /nfs/dbraw/zinc/27/50/07/435275007.db2.gz BRENEIULTQQZQM-UHFFFAOYSA-N 2 2 317.477 3.321 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000639380105 435276668 /nfs/dbraw/zinc/27/66/68/435276668.db2.gz VULCYSGRJCNAQS-UHFFFAOYSA-N 2 2 318.509 3.232 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000584180368 435281343 /nfs/dbraw/zinc/28/13/43/435281343.db2.gz KUQBFTIUFCMEKU-ZDUSSCGKSA-N 2 2 305.422 3.141 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000584180368 435281345 /nfs/dbraw/zinc/28/13/45/435281345.db2.gz KUQBFTIUFCMEKU-ZDUSSCGKSA-N 2 2 305.422 3.141 20 0 DGADLP C[N@H+](Cc1ccc(CC(F)(F)F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639393226 435285309 /nfs/dbraw/zinc/28/53/09/435285309.db2.gz UQQMDXOJYVYDKJ-INIZCTEOSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@@H+](Cc1ccc(CC(F)(F)F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639393226 435285314 /nfs/dbraw/zinc/28/53/14/435285314.db2.gz UQQMDXOJYVYDKJ-INIZCTEOSA-N 2 2 312.379 3.317 20 0 DGADLP Cc1ccc(CCC[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)c[nH+]1 ZINC000639398324 435286272 /nfs/dbraw/zinc/28/62/72/435286272.db2.gz OVWPFWXWFYKTNC-OAHLLOKOSA-N 2 2 309.413 3.165 20 0 DGADLP Cc1ccc(CCC[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)c[nH+]1 ZINC000639398324 435286275 /nfs/dbraw/zinc/28/62/75/435286275.db2.gz OVWPFWXWFYKTNC-OAHLLOKOSA-N 2 2 309.413 3.165 20 0 DGADLP CC[C@H](C[NH2+]Cc1ccncc1C)[N@@H+]1CCc2ccccc2C1 ZINC000648412692 435290604 /nfs/dbraw/zinc/29/06/04/435290604.db2.gz OHLAREPXAKEISU-HXUWFJFHSA-N 2 2 309.457 3.317 20 0 DGADLP CC[C@H](C[NH2+]Cc1ccncc1C)[N@H+]1CCc2ccccc2C1 ZINC000648412692 435290606 /nfs/dbraw/zinc/29/06/06/435290606.db2.gz OHLAREPXAKEISU-HXUWFJFHSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000534755299 435298325 /nfs/dbraw/zinc/29/83/25/435298325.db2.gz ZEIVTIWCAQRXOA-QGZVFWFLSA-N 2 2 321.896 3.255 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000534755299 435298330 /nfs/dbraw/zinc/29/83/30/435298330.db2.gz ZEIVTIWCAQRXOA-QGZVFWFLSA-N 2 2 321.896 3.255 20 0 DGADLP CC(C)c1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000643025408 435260989 /nfs/dbraw/zinc/26/09/89/435260989.db2.gz LFAAIECDHLMQGI-ZNMIVQPWSA-N 2 2 302.466 3.287 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065560 435263973 /nfs/dbraw/zinc/26/39/73/435263973.db2.gz CQTPIKDFMAFQNX-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065560 435263979 /nfs/dbraw/zinc/26/39/79/435263979.db2.gz CQTPIKDFMAFQNX-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648495942 435321355 /nfs/dbraw/zinc/32/13/55/435321355.db2.gz YSIFBUJYDLQDBF-UHFFFAOYSA-N 2 2 307.825 3.445 20 0 DGADLP CC[N@H+](C[C@H]1CCO[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504044 435324262 /nfs/dbraw/zinc/32/42/62/435324262.db2.gz PKMQUPRRZOFKDW-SJLPKXTDSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](C[C@H]1CCO[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504044 435324265 /nfs/dbraw/zinc/32/42/65/435324265.db2.gz PKMQUPRRZOFKDW-SJLPKXTDSA-N 2 2 317.477 3.045 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240767 435325525 /nfs/dbraw/zinc/32/55/25/435325525.db2.gz GMVXUADWZNDPRA-WMZOPIPTSA-N 2 2 322.880 3.274 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240767 435325530 /nfs/dbraw/zinc/32/55/30/435325530.db2.gz GMVXUADWZNDPRA-WMZOPIPTSA-N 2 2 322.880 3.274 20 0 DGADLP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456298 435327846 /nfs/dbraw/zinc/32/78/46/435327846.db2.gz BGFGKRGMQRXUFC-UGFHNGPFSA-N 2 2 316.367 3.123 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](Cn2cccn2)c2ccccc2)c2ccccc21 ZINC000643457314 435328614 /nfs/dbraw/zinc/32/86/14/435328614.db2.gz WZRLBTZYAOPPMF-AABGKKOBSA-N 2 2 318.424 3.359 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CCO2 ZINC000643482516 435333663 /nfs/dbraw/zinc/33/36/63/435333663.db2.gz VVTASEXZSBFPFJ-RRQGHBQHSA-N 2 2 304.434 3.029 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000643501160 435336967 /nfs/dbraw/zinc/33/69/67/435336967.db2.gz YMJJKWZHULQATH-AAEUAGOBSA-N 2 2 314.376 3.089 20 0 DGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643502994 435338179 /nfs/dbraw/zinc/33/81/79/435338179.db2.gz XUCLDNNAJDCLCH-OLMNPRSZSA-N 2 2 306.425 3.025 20 0 DGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643501875 435338676 /nfs/dbraw/zinc/33/86/76/435338676.db2.gz RMYAFKPKWGAZSJ-PBHICJAKSA-N 2 2 318.465 3.009 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643502511 435339436 /nfs/dbraw/zinc/33/94/36/435339436.db2.gz IXBPQIXHRHXNJT-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Br)c(F)c1 ZINC000643501551 435339839 /nfs/dbraw/zinc/33/98/39/435339839.db2.gz KIFHPKBLWUQKHE-PWSUYJOCSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000643526641 435343880 /nfs/dbraw/zinc/34/38/80/435343880.db2.gz CVHLFHHCFIOIPF-VQIMIIECSA-N 3 2 321.484 3.316 20 0 DGADLP CC(C)[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000643544651 435348943 /nfs/dbraw/zinc/34/89/43/435348943.db2.gz QCDRCKBWEYRKJD-IBGZPJMESA-N 3 2 315.505 3.004 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548800 435351070 /nfs/dbraw/zinc/35/10/70/435351070.db2.gz VJIOKAMTXDIDPW-YPMHNXCESA-N 2 2 310.363 3.356 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cscn1 ZINC000535777531 435351117 /nfs/dbraw/zinc/35/11/17/435351117.db2.gz GGEUEXKEGADIAX-CQSZACIVSA-N 2 2 312.442 3.281 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548797 435351175 /nfs/dbraw/zinc/35/11/75/435351175.db2.gz VJIOKAMTXDIDPW-AAEUAGOBSA-N 2 2 310.363 3.356 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCO[C@H]1C ZINC000639590801 435358735 /nfs/dbraw/zinc/35/87/35/435358735.db2.gz KDOQPYRISQITOL-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCO[C@H]1C ZINC000639590801 435358739 /nfs/dbraw/zinc/35/87/39/435358739.db2.gz KDOQPYRISQITOL-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000512496728 435359797 /nfs/dbraw/zinc/35/97/97/435359797.db2.gz NEOXATYIYYEPAO-SWLSCSKDSA-N 2 2 324.415 3.337 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000512496728 435359801 /nfs/dbraw/zinc/35/98/01/435359801.db2.gz NEOXATYIYYEPAO-SWLSCSKDSA-N 2 2 324.415 3.337 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c(C)[nH+]1 ZINC000639596661 435360125 /nfs/dbraw/zinc/36/01/25/435360125.db2.gz XABRBKURVXMHEM-FQEVSTJZSA-N 2 2 321.424 3.103 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c(C)[nH+]1 ZINC000639596661 435360131 /nfs/dbraw/zinc/36/01/31/435360131.db2.gz XABRBKURVXMHEM-FQEVSTJZSA-N 2 2 321.424 3.103 20 0 DGADLP c1nn(-c2cc[nH+]cc2)cc1N[C@H]1CCc2ccc[nH+]c2CC1 ZINC000643348483 435313586 /nfs/dbraw/zinc/31/35/86/435313586.db2.gz VMRNMNROKGWCOH-HNNXBMFYSA-N 2 2 305.385 3.022 20 0 DGADLP c1[nH]c(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c[nH+]1 ZINC000639725170 435401575 /nfs/dbraw/zinc/40/15/75/435401575.db2.gz IFDORECGUYUWTH-UHFFFAOYSA-N 3 2 324.472 3.288 20 0 DGADLP Cc1[nH+]cc(CNCC2([NH+]3CCCCC3)CCCCC2)n1C ZINC000568272984 435418429 /nfs/dbraw/zinc/41/84/29/435418429.db2.gz FWGSVAOWNFWBBE-UHFFFAOYSA-N 2 2 304.482 3.007 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000639619140 435366543 /nfs/dbraw/zinc/36/65/43/435366543.db2.gz JYFIKQWSNBGTJB-HOCLYGCPSA-N 2 2 313.445 3.407 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067724 435369665 /nfs/dbraw/zinc/36/96/65/435369665.db2.gz XHFLIGIIBTWVAV-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067724 435369672 /nfs/dbraw/zinc/36/96/72/435369672.db2.gz XHFLIGIIBTWVAV-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000480224398 435371052 /nfs/dbraw/zinc/37/10/52/435371052.db2.gz FANPKPCYFFWAON-NUJGCVRESA-N 2 2 304.478 3.453 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480277257 435374083 /nfs/dbraw/zinc/37/40/83/435374083.db2.gz KKSZHFMUAVUMEC-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480277257 435374087 /nfs/dbraw/zinc/37/40/87/435374087.db2.gz KKSZHFMUAVUMEC-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000536307502 435376238 /nfs/dbraw/zinc/37/62/38/435376238.db2.gz NEBGUBITBFEASM-IGKNDFSCSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000536307502 435376240 /nfs/dbraw/zinc/37/62/40/435376240.db2.gz NEBGUBITBFEASM-IGKNDFSCSA-N 2 2 306.494 3.187 20 0 DGADLP FC(F)c1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000568053469 435383945 /nfs/dbraw/zinc/38/39/45/435383945.db2.gz GCCWROMPBDZOGL-DLBZAZTESA-N 2 2 302.368 3.469 20 0 DGADLP c1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)sn1 ZINC000639674857 435388258 /nfs/dbraw/zinc/38/82/58/435388258.db2.gz BBWTZJAUKAFWIS-UHFFFAOYSA-N 2 2 312.442 3.474 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701420 435391841 /nfs/dbraw/zinc/39/18/41/435391841.db2.gz ZNNCRBNPFXZPIA-AEFFLSMTSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701420 435391845 /nfs/dbraw/zinc/39/18/45/435391845.db2.gz ZNNCRBNPFXZPIA-AEFFLSMTSA-N 2 2 304.478 3.180 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000480754306 435392446 /nfs/dbraw/zinc/39/24/46/435392446.db2.gz DHJIRVOLIMMTDS-HSALFYBXSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000480754306 435392453 /nfs/dbraw/zinc/39/24/53/435392453.db2.gz DHJIRVOLIMMTDS-HSALFYBXSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000568164830 435396988 /nfs/dbraw/zinc/39/69/88/435396988.db2.gz BEFLFSFJSFRSTR-MRXNPFEDSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000568164830 435396993 /nfs/dbraw/zinc/39/69/93/435396993.db2.gz BEFLFSFJSFRSTR-MRXNPFEDSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)n1C ZINC000568653778 435458040 /nfs/dbraw/zinc/45/80/40/435458040.db2.gz HRFBNRNQLGUKDR-CQSZACIVSA-N 2 2 308.429 3.165 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC000568890448 435481161 /nfs/dbraw/zinc/48/11/61/435481161.db2.gz VUYSGOASTWZMNB-HNNXBMFYSA-N 2 2 310.869 3.239 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC000568890448 435481166 /nfs/dbraw/zinc/48/11/66/435481166.db2.gz VUYSGOASTWZMNB-HNNXBMFYSA-N 2 2 310.869 3.239 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000516063373 435511669 /nfs/dbraw/zinc/51/16/69/435511669.db2.gz PDSKMSMMBBVJEZ-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000516063373 435511674 /nfs/dbraw/zinc/51/16/74/435511674.db2.gz PDSKMSMMBBVJEZ-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCO[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000483532431 435525567 /nfs/dbraw/zinc/52/55/67/435525567.db2.gz OKTIBAOTVQYVKN-MSOLQXFVSA-N 2 2 317.477 3.107 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cncnc2C)CC1 ZINC000569378720 435528478 /nfs/dbraw/zinc/52/84/78/435528478.db2.gz ZSSJTFSTQKKZEA-QGZVFWFLSA-N 2 2 324.472 3.409 20 0 DGADLP CCN(CCC[NH+](C)C)c1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000644876098 435533885 /nfs/dbraw/zinc/53/38/85/435533885.db2.gz OUYADZLJJZOUGY-UHFFFAOYSA-N 2 2 315.396 3.028 20 0 DGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988519 435482625 /nfs/dbraw/zinc/48/26/25/435482625.db2.gz UGPOKUOTVQDFSV-INIZCTEOSA-N 2 2 323.525 3.020 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000640018189 435490425 /nfs/dbraw/zinc/49/04/25/435490425.db2.gz VJZUADJDOGSPRH-UHFFFAOYSA-N 2 2 306.425 3.205 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000483155545 435498538 /nfs/dbraw/zinc/49/85/38/435498538.db2.gz WRYYGUUHSQCNTB-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000483155545 435498541 /nfs/dbraw/zinc/49/85/41/435498541.db2.gz WRYYGUUHSQCNTB-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CCC(C)(C)[NH3+])cc2[nH+]1 ZINC000649297605 435560755 /nfs/dbraw/zinc/56/07/55/435560755.db2.gz GSEHBGCNVVWKQS-UHFFFAOYSA-N 2 2 302.422 3.362 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000649304587 435561290 /nfs/dbraw/zinc/56/12/90/435561290.db2.gz LBVAKERVLZDXAK-HWPZZCPQSA-N 2 2 323.799 3.158 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000649304587 435561294 /nfs/dbraw/zinc/56/12/94/435561294.db2.gz LBVAKERVLZDXAK-HWPZZCPQSA-N 2 2 323.799 3.158 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@H]1C[N@H+](C)CCO1 ZINC000649304590 435561401 /nfs/dbraw/zinc/56/14/01/435561401.db2.gz LBVAKERVLZDXAK-QLJPJBMISA-N 2 2 323.799 3.158 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@H]1C[N@@H+](C)CCO1 ZINC000649304590 435561404 /nfs/dbraw/zinc/56/14/04/435561404.db2.gz LBVAKERVLZDXAK-QLJPJBMISA-N 2 2 323.799 3.158 20 0 DGADLP CC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000649343908 435566715 /nfs/dbraw/zinc/56/67/15/435566715.db2.gz CBSULTVYZADQEJ-CYBMUJFWSA-N 2 2 300.406 3.286 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949555 435574687 /nfs/dbraw/zinc/57/46/87/435574687.db2.gz BMFVVTBTNRQOLA-YVEFUNNKSA-N 2 2 324.415 3.195 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949555 435574691 /nfs/dbraw/zinc/57/46/91/435574691.db2.gz BMFVVTBTNRQOLA-YVEFUNNKSA-N 2 2 324.415 3.195 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949554 435576148 /nfs/dbraw/zinc/57/61/48/435576148.db2.gz BMFVVTBTNRQOLA-SJKOYZFVSA-N 2 2 324.415 3.195 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949554 435576153 /nfs/dbraw/zinc/57/61/53/435576153.db2.gz BMFVVTBTNRQOLA-SJKOYZFVSA-N 2 2 324.415 3.195 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569972364 435578148 /nfs/dbraw/zinc/57/81/48/435578148.db2.gz ZOZZPODQGLOFLS-CHWSQXEVSA-N 2 2 313.272 3.467 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569972364 435578153 /nfs/dbraw/zinc/57/81/53/435578153.db2.gz ZOZZPODQGLOFLS-CHWSQXEVSA-N 2 2 313.272 3.467 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000649415266 435583276 /nfs/dbraw/zinc/58/32/76/435583276.db2.gz SJIWFUVSOLSRTR-HOCLYGCPSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000649415266 435583281 /nfs/dbraw/zinc/58/32/81/435583281.db2.gz SJIWFUVSOLSRTR-HOCLYGCPSA-N 2 2 307.507 3.450 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCN(C)c1ccccc1 ZINC000570086352 435588278 /nfs/dbraw/zinc/58/82/78/435588278.db2.gz JKWZCMCALAONLB-MOPGFXCFSA-N 2 2 301.478 3.072 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCN(C)c1ccccc1 ZINC000570086352 435588283 /nfs/dbraw/zinc/58/82/83/435588283.db2.gz JKWZCMCALAONLB-MOPGFXCFSA-N 2 2 301.478 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C)c1ccccc1 ZINC000570086352 435588286 /nfs/dbraw/zinc/58/82/86/435588286.db2.gz JKWZCMCALAONLB-MOPGFXCFSA-N 2 2 301.478 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C)c1ccccc1 ZINC000570086352 435588291 /nfs/dbraw/zinc/58/82/91/435588291.db2.gz JKWZCMCALAONLB-MOPGFXCFSA-N 2 2 301.478 3.072 20 0 DGADLP C[NH+](C)CCOc1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000649438218 435590183 /nfs/dbraw/zinc/59/01/83/435590183.db2.gz ZFZXGQXFEGHVSR-UHFFFAOYSA-N 2 2 311.429 3.289 20 0 DGADLP Cc1ccc(C[C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000484139462 435539433 /nfs/dbraw/zinc/53/94/33/435539433.db2.gz FKVZQXFOAOULCP-ICSRJNTNSA-N 2 2 318.505 3.120 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)[nH]1 ZINC000644927663 435543668 /nfs/dbraw/zinc/54/36/68/435543668.db2.gz ZOWASOBCPZZMNK-MRXNPFEDSA-N 2 2 319.412 3.246 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)[nH]1 ZINC000644927663 435543672 /nfs/dbraw/zinc/54/36/72/435543672.db2.gz ZOWASOBCPZZMNK-MRXNPFEDSA-N 2 2 319.412 3.246 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCSC1 ZINC000484476712 435545728 /nfs/dbraw/zinc/54/57/28/435545728.db2.gz WHVNKOAVQMFSNW-MSOLQXFVSA-N 2 2 304.503 3.035 20 0 DGADLP Cc1ccc(C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000484479371 435546038 /nfs/dbraw/zinc/54/60/38/435546038.db2.gz WQFJHNNEZADJRS-RBUKOAKNSA-N 2 2 318.530 3.343 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000484518676 435546100 /nfs/dbraw/zinc/54/61/00/435546100.db2.gz OCPJITWCYOTKGP-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000484518676 435546103 /nfs/dbraw/zinc/54/61/03/435546103.db2.gz OCPJITWCYOTKGP-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516659697 435546454 /nfs/dbraw/zinc/54/64/54/435546454.db2.gz BHWCGSWLKYZFRH-NSHDSACASA-N 2 2 308.788 3.085 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000486812109 435615430 /nfs/dbraw/zinc/61/54/30/435615430.db2.gz OEQHUAOJGRACKG-NVXWUHKLSA-N 2 2 302.462 3.287 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000486812109 435615435 /nfs/dbraw/zinc/61/54/35/435615435.db2.gz OEQHUAOJGRACKG-NVXWUHKLSA-N 2 2 302.462 3.287 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000486812111 435616133 /nfs/dbraw/zinc/61/61/33/435616133.db2.gz OEQHUAOJGRACKG-WBVHZDCISA-N 2 2 302.462 3.287 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000486812111 435616136 /nfs/dbraw/zinc/61/61/36/435616136.db2.gz OEQHUAOJGRACKG-WBVHZDCISA-N 2 2 302.462 3.287 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000540802646 435617850 /nfs/dbraw/zinc/61/78/50/435617850.db2.gz LBWNMBCOHFBLCT-KLHKWILBSA-N 2 2 302.462 3.350 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000540802646 435617851 /nfs/dbraw/zinc/61/78/51/435617851.db2.gz LBWNMBCOHFBLCT-KLHKWILBSA-N 2 2 302.462 3.350 20 0 DGADLP C[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000570485035 435625262 /nfs/dbraw/zinc/62/52/62/435625262.db2.gz QJBVJRHTAYKXPR-IVMMDQJWSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000570485035 435625264 /nfs/dbraw/zinc/62/52/64/435625264.db2.gz QJBVJRHTAYKXPR-IVMMDQJWSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000518156176 435627525 /nfs/dbraw/zinc/62/75/25/435627525.db2.gz ILZWPLYKVMYDCM-WSTZPKSXSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000518156176 435627529 /nfs/dbraw/zinc/62/75/29/435627529.db2.gz ILZWPLYKVMYDCM-WSTZPKSXSA-N 2 2 315.505 3.286 20 0 DGADLP CC[C@@H](OCC[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000649570741 435627751 /nfs/dbraw/zinc/62/77/51/435627751.db2.gz MMVMGUBWSBNBIX-GOSISDBHSA-N 2 2 301.434 3.373 20 0 DGADLP CC[C@@H](OCC[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000649570741 435627753 /nfs/dbraw/zinc/62/77/53/435627753.db2.gz MMVMGUBWSBNBIX-GOSISDBHSA-N 2 2 301.434 3.373 20 0 DGADLP Fc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1F ZINC000518230029 435629624 /nfs/dbraw/zinc/62/96/24/435629624.db2.gz KWLPTSFJPMLIDX-UHFFFAOYSA-N 2 2 300.312 3.217 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000540302662 435596239 /nfs/dbraw/zinc/59/62/39/435596239.db2.gz RHKWQFHULOQAAO-SFHVURJKSA-N 2 2 308.441 3.225 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(C2CCCC2)no1 ZINC000640533407 435598083 /nfs/dbraw/zinc/59/80/83/435598083.db2.gz QPLTZKWBUFDORY-UHFFFAOYSA-N 2 2 320.481 3.425 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(C2CCCC2)no1 ZINC000640533407 435598089 /nfs/dbraw/zinc/59/80/89/435598089.db2.gz QPLTZKWBUFDORY-UHFFFAOYSA-N 2 2 320.481 3.425 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000645434365 435644661 /nfs/dbraw/zinc/64/46/61/435644661.db2.gz UGZWYWVAXZZVMB-KDOFPFPSSA-N 2 2 301.434 3.146 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2nc1OC ZINC000570858482 435656192 /nfs/dbraw/zinc/65/61/92/435656192.db2.gz XZLSSWLBWVLYKX-UHFFFAOYSA-N 2 2 301.434 3.017 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2nc1OC ZINC000570858482 435656197 /nfs/dbraw/zinc/65/61/97/435656197.db2.gz XZLSSWLBWVLYKX-UHFFFAOYSA-N 2 2 301.434 3.017 20 0 DGADLP O=C(Nc1ccccc1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000519138218 435672253 /nfs/dbraw/zinc/67/22/53/435672253.db2.gz FGVZQCQNEYXZLP-RTBURBONSA-N 2 2 323.440 3.098 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000571135170 435680930 /nfs/dbraw/zinc/68/09/30/435680930.db2.gz RTTUSPYMNHAXMG-VYDRJQSISA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000571135170 435680935 /nfs/dbraw/zinc/68/09/35/435680935.db2.gz RTTUSPYMNHAXMG-VYDRJQSISA-N 2 2 302.462 3.195 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000519410074 435682062 /nfs/dbraw/zinc/68/20/62/435682062.db2.gz AEPJXFYJZUZWNH-OAHLLOKOSA-N 2 2 322.880 3.239 20 0 DGADLP Cc1[nH]c(CNC(C)(C)C[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC000519708814 435701449 /nfs/dbraw/zinc/70/14/49/435701449.db2.gz MBDLRGRPWDIRTL-UHFFFAOYSA-N 2 2 300.450 3.027 20 0 DGADLP Cc1[nH]c(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC000519708814 435701454 /nfs/dbraw/zinc/70/14/54/435701454.db2.gz MBDLRGRPWDIRTL-UHFFFAOYSA-N 2 2 300.450 3.027 20 0 DGADLP COc1ccccc1C[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000571345462 435698342 /nfs/dbraw/zinc/69/83/42/435698342.db2.gz OYSHCYHWSZZBHF-QGZVFWFLSA-N 2 2 301.434 3.094 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000655699648 435733584 /nfs/dbraw/zinc/73/35/84/435733584.db2.gz HFSIQDOSTJHLDK-GXTWGEPZSA-N 2 2 305.422 3.385 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641379082 435733878 /nfs/dbraw/zinc/73/38/78/435733878.db2.gz OGSSUMUXSUJPNP-OAHLLOKOSA-N 2 2 311.429 3.211 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000655701395 435738094 /nfs/dbraw/zinc/73/80/94/435738094.db2.gz VQIDBIAEVLVKHR-YWZLYKJASA-N 2 2 314.473 3.079 20 0 DGADLP Fc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655712860 435743386 /nfs/dbraw/zinc/74/33/86/435743386.db2.gz XCSCKYGINYNGCI-RBUKOAKNSA-N 2 2 318.436 3.120 20 0 DGADLP C[C@@H]([C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655719061 435748309 /nfs/dbraw/zinc/74/83/09/435748309.db2.gz OWJPNGCZDGGZAG-TXPKVOOTSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452749 435750528 /nfs/dbraw/zinc/75/05/28/435750528.db2.gz YEZHXPZYSSHWJV-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452749 435750535 /nfs/dbraw/zinc/75/05/35/435750535.db2.gz YEZHXPZYSSHWJV-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452749 435750544 /nfs/dbraw/zinc/75/05/44/435750544.db2.gz YEZHXPZYSSHWJV-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452749 435750553 /nfs/dbraw/zinc/75/05/53/435750553.db2.gz YEZHXPZYSSHWJV-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655729350 435755440 /nfs/dbraw/zinc/75/54/40/435755440.db2.gz KDXMKBAOZCYCHW-YLJYHZDGSA-N 2 2 316.489 3.077 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1F ZINC000655729486 435755635 /nfs/dbraw/zinc/75/56/35/435755635.db2.gz AYAYDGYZCXLODA-WMLDXEAASA-N 2 2 306.425 3.038 20 0 DGADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccn1 ZINC000655732430 435757804 /nfs/dbraw/zinc/75/78/04/435757804.db2.gz BETANBKEYCWTMK-PKOBYXMFSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655732161 435759294 /nfs/dbraw/zinc/75/92/94/435759294.db2.gz ZGGJRXJSUYLAGS-XJKSGUPXSA-N 2 2 324.415 3.259 20 0 DGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660468572 435762208 /nfs/dbraw/zinc/76/22/08/435762208.db2.gz LZROQHGDCGDQJG-QAPCUYQASA-N 2 2 306.425 3.073 20 0 DGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660468572 435762215 /nfs/dbraw/zinc/76/22/15/435762215.db2.gz LZROQHGDCGDQJG-QAPCUYQASA-N 2 2 306.425 3.073 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655792594 435799883 /nfs/dbraw/zinc/79/98/83/435799883.db2.gz MFPLLLPPPSAFSV-QGZVFWFLSA-N 2 2 304.482 3.352 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655792594 435799889 /nfs/dbraw/zinc/79/98/89/435799889.db2.gz MFPLLLPPPSAFSV-QGZVFWFLSA-N 2 2 304.482 3.352 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cn4ccccc4n3)cn21 ZINC000655792644 435800645 /nfs/dbraw/zinc/80/06/45/435800645.db2.gz NOFQWSXHVNTEEE-HNNXBMFYSA-N 2 2 319.412 3.184 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550907442 435813857 /nfs/dbraw/zinc/81/38/57/435813857.db2.gz MCPQIZQLUYRVJL-PWIZWCRZSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550907442 435813862 /nfs/dbraw/zinc/81/38/62/435813862.db2.gz MCPQIZQLUYRVJL-PWIZWCRZSA-N 2 2 316.489 3.444 20 0 DGADLP Cn1c(CCC[NH2+]Cc2cc3cnccc3o2)[nH+]c2ccccc21 ZINC000651752841 435814759 /nfs/dbraw/zinc/81/47/59/435814759.db2.gz WMSVFNPIWPYWRZ-UHFFFAOYSA-N 2 2 320.396 3.437 20 0 DGADLP Fc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000641556994 435764811 /nfs/dbraw/zinc/76/48/11/435764811.db2.gz YKXXYATZSIHQJV-CYBMUJFWSA-N 2 2 300.381 3.138 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1 ZINC000571994395 435765223 /nfs/dbraw/zinc/76/52/23/435765223.db2.gz PTVZUPOZESFDQQ-JSGCOSHPSA-N 2 2 318.383 3.019 20 0 DGADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474956 435767176 /nfs/dbraw/zinc/76/71/76/435767176.db2.gz SEVFQDBHRWQFGC-ROUUACIJSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474956 435767185 /nfs/dbraw/zinc/76/71/85/435767185.db2.gz SEVFQDBHRWQFGC-ROUUACIJSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3cc(C)[nH+]cn3)C2)s1 ZINC000641646649 435775113 /nfs/dbraw/zinc/77/51/13/435775113.db2.gz LAAOTEKMLXZXJN-OAHLLOKOSA-N 2 2 316.474 3.113 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644222 435778448 /nfs/dbraw/zinc/77/84/48/435778448.db2.gz JDQBSBDSRGPCTA-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644222 435778456 /nfs/dbraw/zinc/77/84/56/435778456.db2.gz JDQBSBDSRGPCTA-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644222 435778463 /nfs/dbraw/zinc/77/84/63/435778463.db2.gz JDQBSBDSRGPCTA-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644222 435778469 /nfs/dbraw/zinc/77/84/69/435778469.db2.gz JDQBSBDSRGPCTA-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676964 435786206 /nfs/dbraw/zinc/78/62/06/435786206.db2.gz STWGPFFYQQVYTK-AWEZNQCLSA-N 2 2 314.832 3.024 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676964 435786208 /nfs/dbraw/zinc/78/62/08/435786208.db2.gz STWGPFFYQQVYTK-AWEZNQCLSA-N 2 2 314.832 3.024 20 0 DGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000641802748 435828129 /nfs/dbraw/zinc/82/81/29/435828129.db2.gz OJOYITMHFVLFHZ-KBPBESRZSA-N 2 2 305.809 3.210 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000641804924 435829722 /nfs/dbraw/zinc/82/97/22/435829722.db2.gz MFUKIZMEYSBLPG-KURKYZTESA-N 2 2 323.440 3.082 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848256 435840558 /nfs/dbraw/zinc/84/05/58/435840558.db2.gz CGFUJXLHUBCPTO-YESZJQIVSA-N 2 2 318.436 3.428 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848256 435840567 /nfs/dbraw/zinc/84/05/67/435840567.db2.gz CGFUJXLHUBCPTO-YESZJQIVSA-N 2 2 318.436 3.428 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655848466 435840601 /nfs/dbraw/zinc/84/06/01/435840601.db2.gz FPCJFFCGCNXION-APHBMKBZSA-N 2 2 323.868 3.411 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000655848466 435840607 /nfs/dbraw/zinc/84/06/07/435840607.db2.gz FPCJFFCGCNXION-APHBMKBZSA-N 2 2 323.868 3.411 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1SC ZINC000660659065 435840870 /nfs/dbraw/zinc/84/08/70/435840870.db2.gz MIPXYKAUTVVERE-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1SC ZINC000660659065 435840877 /nfs/dbraw/zinc/84/08/77/435840877.db2.gz MIPXYKAUTVVERE-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1SC ZINC000660659065 435840882 /nfs/dbraw/zinc/84/08/82/435840882.db2.gz MIPXYKAUTVVERE-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1SC ZINC000660659065 435840891 /nfs/dbraw/zinc/84/08/91/435840891.db2.gz MIPXYKAUTVVERE-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850393 435842687 /nfs/dbraw/zinc/84/26/87/435842687.db2.gz IAFRUCJDFLQGKG-BHIYHBOVSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850393 435842689 /nfs/dbraw/zinc/84/26/89/435842689.db2.gz IAFRUCJDFLQGKG-BHIYHBOVSA-N 2 2 301.478 3.399 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696712 435845273 /nfs/dbraw/zinc/84/52/73/435845273.db2.gz IDHKZEGZHUTONN-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696712 435845276 /nfs/dbraw/zinc/84/52/76/435845276.db2.gz IDHKZEGZHUTONN-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551696712 435845281 /nfs/dbraw/zinc/84/52/81/435845281.db2.gz IDHKZEGZHUTONN-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551696712 435845284 /nfs/dbraw/zinc/84/52/84/435845284.db2.gz IDHKZEGZHUTONN-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)n1cc[nH+]c1 ZINC000572608741 435846393 /nfs/dbraw/zinc/84/63/93/435846393.db2.gz QVPSAQUUXSIIRX-LBPRGKRZSA-N 2 2 320.824 3.188 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OC1CC1)C2 ZINC000660662706 435846730 /nfs/dbraw/zinc/84/67/30/435846730.db2.gz LPXCMTMRKFIZJB-LJQANCHMSA-N 2 2 300.446 3.146 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OC1CC1)C2 ZINC000660662706 435846737 /nfs/dbraw/zinc/84/67/37/435846737.db2.gz LPXCMTMRKFIZJB-LJQANCHMSA-N 2 2 300.446 3.146 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1OC1CC1)C2 ZINC000660662706 435846742 /nfs/dbraw/zinc/84/67/42/435846742.db2.gz LPXCMTMRKFIZJB-LJQANCHMSA-N 2 2 300.446 3.146 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1OC1CC1)C2 ZINC000660662706 435846750 /nfs/dbraw/zinc/84/67/50/435846750.db2.gz LPXCMTMRKFIZJB-LJQANCHMSA-N 2 2 300.446 3.146 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCCO1 ZINC000655857857 435848121 /nfs/dbraw/zinc/84/81/21/435848121.db2.gz XCJYAZJEJMVUNL-HZPDHXFCSA-N 2 2 305.447 3.371 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000651866010 435848941 /nfs/dbraw/zinc/84/89/41/435848941.db2.gz QILCKUIZRRTBAQ-UHFFFAOYSA-N 2 2 322.884 3.294 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000651866010 435848945 /nfs/dbraw/zinc/84/89/45/435848945.db2.gz QILCKUIZRRTBAQ-UHFFFAOYSA-N 2 2 322.884 3.294 20 0 DGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699947 435849577 /nfs/dbraw/zinc/84/95/77/435849577.db2.gz PEBIGZGPUPIIHH-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699947 435849580 /nfs/dbraw/zinc/84/95/80/435849580.db2.gz PEBIGZGPUPIIHH-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699947 435849585 /nfs/dbraw/zinc/84/95/85/435849585.db2.gz PEBIGZGPUPIIHH-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699947 435849588 /nfs/dbraw/zinc/84/95/88/435849588.db2.gz PEBIGZGPUPIIHH-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP COc1ccc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)nc1 ZINC000651870121 435851552 /nfs/dbraw/zinc/85/15/52/435851552.db2.gz SFBLPLKLXVTDOR-UHFFFAOYSA-N 2 2 322.412 3.118 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000572735313 435859589 /nfs/dbraw/zinc/85/95/89/435859589.db2.gz WHZXYRRHNJLTAN-QGZVFWFLSA-N 2 2 313.445 3.087 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000572735313 435859591 /nfs/dbraw/zinc/85/95/91/435859591.db2.gz WHZXYRRHNJLTAN-QGZVFWFLSA-N 2 2 313.445 3.087 20 0 DGADLP Cc1ccc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c(Cl)c1 ZINC000660695467 435862192 /nfs/dbraw/zinc/86/21/92/435862192.db2.gz ILNZMSSEDYKCPS-UHFFFAOYSA-N 2 2 324.896 3.221 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)cc2)c[nH+]1 ZINC000651927534 435868271 /nfs/dbraw/zinc/86/82/71/435868271.db2.gz WTFZUUJVIKCASP-LJQANCHMSA-N 2 2 311.429 3.167 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000552009573 435869780 /nfs/dbraw/zinc/86/97/80/435869780.db2.gz OJRQWRVVYWPEBH-WLSWZUKCSA-N 2 2 302.462 3.168 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000552009573 435869785 /nfs/dbraw/zinc/86/97/85/435869785.db2.gz OJRQWRVVYWPEBH-WLSWZUKCSA-N 2 2 302.462 3.168 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000651982987 435884184 /nfs/dbraw/zinc/88/41/84/435884184.db2.gz MUEXITGQMQPSFE-GJYPPUQNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000651982987 435884191 /nfs/dbraw/zinc/88/41/91/435884191.db2.gz MUEXITGQMQPSFE-GJYPPUQNSA-N 2 2 302.462 3.054 20 0 DGADLP C[NH2+]Cc1cccc(NC(=O)CCn2c(C)[nH+]c3ccccc32)c1 ZINC000646626736 435906861 /nfs/dbraw/zinc/90/68/61/435906861.db2.gz BRYHFSCAIOMNBP-UHFFFAOYSA-N 2 2 322.412 3.093 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656195755 435908972 /nfs/dbraw/zinc/90/89/72/435908972.db2.gz GIFGEOLZYCGELJ-AYBZRNKSSA-N 3 2 301.478 3.072 20 0 DGADLP C[C@@H]([NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000656200982 435911836 /nfs/dbraw/zinc/91/18/36/435911836.db2.gz HEZJSRFELHUIGE-RISCZKNCSA-N 2 2 314.351 3.304 20 0 DGADLP C[C@@H]1CC[C@H](C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)O1 ZINC000660857854 435911822 /nfs/dbraw/zinc/91/18/22/435911822.db2.gz XDKWOKKKIBAENL-GDBMZVCRSA-N 2 2 313.445 3.385 20 0 DGADLP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]cccc2OCc2ccccc2)C1 ZINC000656211373 435914726 /nfs/dbraw/zinc/91/47/26/435914726.db2.gz BEQCRBAQKYUDRQ-CALCHBBNSA-N 2 2 311.429 3.413 20 0 DGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(SCC(F)F)cc1 ZINC000665277416 435936560 /nfs/dbraw/zinc/93/65/60/435936560.db2.gz BAVVDSISMZKUQY-FZWSLVFFSA-N 2 2 312.429 3.446 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203089 435922257 /nfs/dbraw/zinc/92/22/57/435922257.db2.gz AFVVECVJJFEZDX-RBUKOAKNSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203089 435922259 /nfs/dbraw/zinc/92/22/59/435922259.db2.gz AFVVECVJJFEZDX-RBUKOAKNSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[N@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000652222430 435926245 /nfs/dbraw/zinc/92/62/45/435926245.db2.gz OMKFGDSSSLURKX-QGZVFWFLSA-N 2 2 300.450 3.067 20 0 DGADLP CC(C)C[N@@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000652222430 435926249 /nfs/dbraw/zinc/92/62/49/435926249.db2.gz OMKFGDSSSLURKX-QGZVFWFLSA-N 2 2 300.450 3.067 20 0 DGADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cn1 ZINC000665250427 435927729 /nfs/dbraw/zinc/92/77/29/435927729.db2.gz QUDMRYJDFDGBQR-ATZDWAIDSA-N 2 2 312.461 3.260 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1Cl ZINC000665248764 435927961 /nfs/dbraw/zinc/92/79/61/435927961.db2.gz BXBUBGTYSFKQMX-LLVKDONJSA-N 2 2 312.841 3.279 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000665250517 435928810 /nfs/dbraw/zinc/92/88/10/435928810.db2.gz UEQZJQGJMJYITM-HLAWJBBLSA-N 2 2 322.452 3.418 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccco2)cc1 ZINC000665254289 435931078 /nfs/dbraw/zinc/93/10/78/435931078.db2.gz LYEWYPPZCPYBFQ-WBAXXEDZSA-N 2 2 314.429 3.475 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCC3)cc1F ZINC000665259536 435933380 /nfs/dbraw/zinc/93/33/80/435933380.db2.gz ILIVZFBMGUKDKE-ZVZYQTTQSA-N 2 2 318.436 3.202 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656276858 435934504 /nfs/dbraw/zinc/93/45/04/435934504.db2.gz IYSMKIUSHALMGV-MNEFBYGVSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656276858 435934508 /nfs/dbraw/zinc/93/45/08/435934508.db2.gz IYSMKIUSHALMGV-MNEFBYGVSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)CO1 ZINC000647166785 435958318 /nfs/dbraw/zinc/95/83/18/435958318.db2.gz CZCXTAWGEKTGJK-HRCADAONSA-N 2 2 308.491 3.288 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652355817 435958922 /nfs/dbraw/zinc/95/89/22/435958922.db2.gz IXZUFGFJRGLGNA-HZMBPMFUSA-N 2 2 302.249 3.338 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652355817 435958924 /nfs/dbraw/zinc/95/89/24/435958924.db2.gz IXZUFGFJRGLGNA-HZMBPMFUSA-N 2 2 302.249 3.338 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647263104 435994936 /nfs/dbraw/zinc/99/49/36/435994936.db2.gz IHWYQPBZOZGSQN-UHFFFAOYSA-N 2 2 311.433 3.061 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](CO)C1CCC1 ZINC000661153049 435981412 /nfs/dbraw/zinc/98/14/12/435981412.db2.gz HVOQUOUONBGIDL-GOSISDBHSA-N 2 2 315.461 3.266 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(CO)cc2)C[N@@H+]1Cc1ccccc1 ZINC000647229555 435982624 /nfs/dbraw/zinc/98/26/24/435982624.db2.gz YYDUFCFXBYNKRR-FQEVSTJZSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(CO)cc2)C[N@H+]1Cc1ccccc1 ZINC000647229555 435982629 /nfs/dbraw/zinc/98/26/29/435982629.db2.gz YYDUFCFXBYNKRR-FQEVSTJZSA-N 2 2 324.468 3.322 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ncc(Cl)s3)cn21 ZINC000647262528 435994984 /nfs/dbraw/zinc/99/49/84/435994984.db2.gz BUIFNCFEDLZYQQ-UHFFFAOYSA-N 2 2 306.822 3.085 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280958 435937269 /nfs/dbraw/zinc/93/72/69/435937269.db2.gz GBUPWWYVDHXFMQ-YTQUADARSA-N 2 2 306.494 3.166 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280958 435937274 /nfs/dbraw/zinc/93/72/74/435937274.db2.gz GBUPWWYVDHXFMQ-YTQUADARSA-N 2 2 306.494 3.166 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000665281747 435938077 /nfs/dbraw/zinc/93/80/77/435938077.db2.gz KFMHDIOVBDRXJP-FXAWDEMLSA-N 3 2 317.521 3.045 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCc2ccco2)[C@H]2CCC[NH2+]2)cc1 ZINC000665283384 435940894 /nfs/dbraw/zinc/94/08/94/435940894.db2.gz MXHDBWMDZUISCE-MOPGFXCFSA-N 2 2 314.429 3.304 20 0 DGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])on1 ZINC000665299892 435944750 /nfs/dbraw/zinc/94/47/50/435944750.db2.gz VCVJCRKOQMKUFD-CVEARBPZSA-N 2 2 315.417 3.100 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299173 435944944 /nfs/dbraw/zinc/94/49/44/435944944.db2.gz HYCAUBNILWGHMY-LRDDRELGSA-N 2 2 323.362 3.149 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280787 435998464 /nfs/dbraw/zinc/99/84/64/435998464.db2.gz BCSVADXZCSZGGE-OALUTQOASA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280787 435998469 /nfs/dbraw/zinc/99/84/69/435998469.db2.gz BCSVADXZCSZGGE-OALUTQOASA-N 2 2 319.493 3.115 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647287517 435999503 /nfs/dbraw/zinc/99/95/03/435999503.db2.gz JFQJXKQTTXBLEN-MRXNPFEDSA-N 2 2 306.498 3.382 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2n(n1)CCCC2 ZINC000647284253 435999915 /nfs/dbraw/zinc/99/99/15/435999915.db2.gz JDLHFBFRTJHWSV-OAHLLOKOSA-N 2 2 321.428 3.256 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3cc4n(n3)CCCC4)[nH+]c12 ZINC000647290530 436002070 /nfs/dbraw/zinc/00/20/70/436002070.db2.gz JNCDXQKIMVRDRS-OAHLLOKOSA-N 2 2 323.444 3.069 20 0 DGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000647289385 436002975 /nfs/dbraw/zinc/00/29/75/436002975.db2.gz RPHKXJIJXLBDRG-YOEHRIQHSA-N 2 2 306.498 3.236 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CNc3ccccc3C2)n1-c1ccccc1 ZINC000650716814 436003145 /nfs/dbraw/zinc/00/31/45/436003145.db2.gz KHIKSSNSSZWCCU-KRWDZBQOSA-N 2 2 318.424 3.307 20 0 DGADLP COc1ccc([C@@H](CC(C)C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000647306927 436009952 /nfs/dbraw/zinc/00/99/52/436009952.db2.gz MQYKSPJINOAZJK-GOSISDBHSA-N 2 2 301.434 3.348 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700638 436013966 /nfs/dbraw/zinc/01/39/66/436013966.db2.gz QUEBPWSBDUALDS-OALUTQOASA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700638 436013970 /nfs/dbraw/zinc/01/39/70/436013970.db2.gz QUEBPWSBDUALDS-OALUTQOASA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700638 436013974 /nfs/dbraw/zinc/01/39/74/436013974.db2.gz QUEBPWSBDUALDS-OALUTQOASA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700638 436013978 /nfs/dbraw/zinc/01/39/78/436013978.db2.gz QUEBPWSBDUALDS-OALUTQOASA-N 2 2 314.473 3.081 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1nc2ccccc2n1C ZINC000650753881 436018612 /nfs/dbraw/zinc/01/86/12/436018612.db2.gz XGNMVPPSOVALSQ-GFCCVEGCSA-N 2 2 312.392 3.022 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1nc2ccccc2n1C ZINC000650753882 436019918 /nfs/dbraw/zinc/01/99/18/436019918.db2.gz XGNMVPPSOVALSQ-LBPRGKRZSA-N 2 2 312.392 3.022 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3C[C@@H](OC(C)C)C3(C)C)cn21 ZINC000647363536 436031115 /nfs/dbraw/zinc/03/11/15/436031115.db2.gz CLPUNCBLSYIXRG-DLBZAZTESA-N 2 2 315.461 3.367 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC(C)(C)OC3(C)C)cn21 ZINC000647364529 436031535 /nfs/dbraw/zinc/03/15/35/436031535.db2.gz CLEASXXIFPMMPE-OAHLLOKOSA-N 2 2 301.434 3.121 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647364471 436032184 /nfs/dbraw/zinc/03/21/84/436032184.db2.gz ARZYCSUCWNTULM-OAHLLOKOSA-N 2 2 323.440 3.415 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCCC1 ZINC000656788595 436047597 /nfs/dbraw/zinc/04/75/97/436047597.db2.gz UXTGSAHJMRWZRG-UHFFFAOYSA-N 2 2 304.768 3.303 20 0 DGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc2n(n1)CCCC2 ZINC000647281011 435997220 /nfs/dbraw/zinc/99/72/20/435997220.db2.gz SIQJYEMMQIZAEG-CYBMUJFWSA-N 2 2 304.482 3.179 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480189 436058941 /nfs/dbraw/zinc/05/89/41/436058941.db2.gz GLPNDIZMTWKGQY-HOTGVXAUSA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480189 436058948 /nfs/dbraw/zinc/05/89/48/436058948.db2.gz GLPNDIZMTWKGQY-HOTGVXAUSA-N 2 2 312.461 3.020 20 0 DGADLP CC[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498951 436064951 /nfs/dbraw/zinc/06/49/51/436064951.db2.gz UPYASDIFSFTEKC-RTBURBONSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498951 436064957 /nfs/dbraw/zinc/06/49/57/436064957.db2.gz UPYASDIFSFTEKC-RTBURBONSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498951 436064959 /nfs/dbraw/zinc/06/49/59/436064959.db2.gz UPYASDIFSFTEKC-RTBURBONSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498951 436064966 /nfs/dbraw/zinc/06/49/66/436064966.db2.gz UPYASDIFSFTEKC-RTBURBONSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509006 436069401 /nfs/dbraw/zinc/06/94/01/436069401.db2.gz FMPZZGWXFOIKQO-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509006 436069406 /nfs/dbraw/zinc/06/94/06/436069406.db2.gz FMPZZGWXFOIKQO-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534392 436074476 /nfs/dbraw/zinc/07/44/76/436074476.db2.gz MMNGXWFQSGKHSH-IVMMDQJWSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534392 436074479 /nfs/dbraw/zinc/07/44/79/436074479.db2.gz MMNGXWFQSGKHSH-IVMMDQJWSA-N 2 2 312.379 3.493 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(C)c1OC(F)F ZINC000647533733 436076168 /nfs/dbraw/zinc/07/61/68/436076168.db2.gz XPYREFYRPRPETC-LSDHHAIUSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(C)c1OC(F)F ZINC000647533733 436076172 /nfs/dbraw/zinc/07/61/72/436076172.db2.gz XPYREFYRPRPETC-LSDHHAIUSA-N 2 2 310.388 3.089 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548615 436081081 /nfs/dbraw/zinc/08/10/81/436081081.db2.gz KWEWOTBFULZZDE-QKLQHJQFSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548615 436081087 /nfs/dbraw/zinc/08/10/87/436081087.db2.gz KWEWOTBFULZZDE-QKLQHJQFSA-N 3 2 315.505 3.149 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553733 436083364 /nfs/dbraw/zinc/08/33/64/436083364.db2.gz IIJQOPKZVHSZKB-INIZCTEOSA-N 2 2 304.482 3.019 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 ZINC000647801433 436125157 /nfs/dbraw/zinc/12/51/57/436125157.db2.gz VOMJBAMARIJCKY-UONOGXRCSA-N 2 2 318.323 3.243 20 0 DGADLP COCc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000657310708 436127912 /nfs/dbraw/zinc/12/79/12/436127912.db2.gz RNCSJPPBYKVCFS-UHFFFAOYSA-N 2 2 317.458 3.048 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000657307367 436128538 /nfs/dbraw/zinc/12/85/38/436128538.db2.gz OGKRCUWSYQOQQS-NSHDSACASA-N 2 2 314.351 3.001 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000657307367 436128541 /nfs/dbraw/zinc/12/85/41/436128541.db2.gz OGKRCUWSYQOQQS-NSHDSACASA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000657314607 436130814 /nfs/dbraw/zinc/13/08/14/436130814.db2.gz XPQMBLZFDPQOJA-QWHCGFSZSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000657314607 436130819 /nfs/dbraw/zinc/13/08/19/436130819.db2.gz XPQMBLZFDPQOJA-QWHCGFSZSA-N 2 2 314.351 3.144 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000657317964 436135028 /nfs/dbraw/zinc/13/50/28/436135028.db2.gz GPGLDPBCCYFQSW-CXAGYDPISA-N 2 2 308.385 3.274 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000657323366 436137894 /nfs/dbraw/zinc/13/78/94/436137894.db2.gz DBWOEYIWUJQHFU-UHFFFAOYSA-N 2 2 313.323 3.194 20 0 DGADLP CCc1cccc2cc(C[NH2+]C3CC[NH+](CCOC)CC3)oc21 ZINC000657330850 436139364 /nfs/dbraw/zinc/13/93/64/436139364.db2.gz CUIFQBMURZXJAN-UHFFFAOYSA-N 2 2 316.445 3.196 20 0 DGADLP Clc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657327949 436139818 /nfs/dbraw/zinc/13/98/18/436139818.db2.gz NSVPQVCAMJAOEK-CQSZACIVSA-N 2 2 303.793 3.096 20 0 DGADLP Brc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881199 436141251 /nfs/dbraw/zinc/14/12/51/436141251.db2.gz RSYFYJACKAWBQX-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP Brc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881199 436141256 /nfs/dbraw/zinc/14/12/56/436141256.db2.gz RSYFYJACKAWBQX-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP c1[nH+]c2n(c1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1)CCC2 ZINC000657345242 436148661 /nfs/dbraw/zinc/14/86/61/436148661.db2.gz LHXUZNBXZUMOEE-IBGZPJMESA-N 2 2 324.472 3.146 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000651130762 436117172 /nfs/dbraw/zinc/11/71/72/436117172.db2.gz KIAZYUZUTOSUHF-UXPWSPDFSA-N 2 2 312.457 3.044 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647786064 436118151 /nfs/dbraw/zinc/11/81/51/436118151.db2.gz HHQBFKOTSSWYEL-JCHJZTRSSA-N 3 2 315.505 3.094 20 0 DGADLP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)nn2c1CCC2 ZINC000657298572 436122087 /nfs/dbraw/zinc/12/20/87/436122087.db2.gz VLZHTDMFPRRTCW-UHFFFAOYSA-N 2 2 324.472 3.105 20 0 DGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796522 436122371 /nfs/dbraw/zinc/12/23/71/436122371.db2.gz CMSBALIHLUVACH-GUDVDZBRSA-N 3 2 319.537 3.010 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647965553 436162358 /nfs/dbraw/zinc/16/23/58/436162358.db2.gz AEQPCHVJGYZXII-OIISXLGYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965553 436162363 /nfs/dbraw/zinc/16/23/63/436162363.db2.gz AEQPCHVJGYZXII-OIISXLGYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647965553 436162367 /nfs/dbraw/zinc/16/23/67/436162367.db2.gz AEQPCHVJGYZXII-OIISXLGYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647965553 436162369 /nfs/dbraw/zinc/16/23/69/436162369.db2.gz AEQPCHVJGYZXII-OIISXLGYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382793 436169737 /nfs/dbraw/zinc/16/97/37/436169737.db2.gz LLKYKDIOHFGYKP-HKUYNNGSSA-N 2 2 311.429 3.148 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n(CC2CC2)n1 ZINC000657385759 436169829 /nfs/dbraw/zinc/16/98/29/436169829.db2.gz ZCZPVXYNWBLQHH-UHFFFAOYSA-N 2 2 316.493 3.180 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)O1 ZINC000666218497 436178449 /nfs/dbraw/zinc/17/84/49/436178449.db2.gz PHIDWPYTKNFSFG-JFRXWTBNSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)O1 ZINC000666218497 436178455 /nfs/dbraw/zinc/17/84/55/436178455.db2.gz PHIDWPYTKNFSFG-JFRXWTBNSA-N 2 2 316.489 3.443 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657396077 436179173 /nfs/dbraw/zinc/17/91/73/436179173.db2.gz FZBINBFCBFIWGA-CQSZACIVSA-N 3 2 321.428 3.174 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000648003139 436175317 /nfs/dbraw/zinc/17/53/17/436175317.db2.gz KNXVKLGKASNBGT-KRWDZBQOSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000648003139 436175319 /nfs/dbraw/zinc/17/53/19/436175319.db2.gz KNXVKLGKASNBGT-KRWDZBQOSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cncc(Br)c1C ZINC000657417722 436187864 /nfs/dbraw/zinc/18/78/64/436187864.db2.gz VGTHSBWFVNBMQG-UHFFFAOYSA-N 2 2 320.234 3.188 20 0 DGADLP Cc1c[nH]c(CNc2cc(C[NH+]3CCSCC3)ccc2C)[nH+]1 ZINC000657407152 436183467 /nfs/dbraw/zinc/18/34/67/436183467.db2.gz JMZYEQREKMBOLB-UHFFFAOYSA-N 2 2 316.474 3.187 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccn1 ZINC000657536621 436238363 /nfs/dbraw/zinc/23/83/63/436238363.db2.gz YNUPRVUUUMEDHN-CYBMUJFWSA-N 2 2 315.383 3.192 20 0 DGADLP Fc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)c(F)c1 ZINC000657420013 436191805 /nfs/dbraw/zinc/19/18/05/436191805.db2.gz IKOVBJSOPVFUNZ-UHFFFAOYSA-N 2 2 303.356 3.277 20 0 DGADLP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2O1 ZINC000666304694 436196156 /nfs/dbraw/zinc/19/61/56/436196156.db2.gz FIUGPWRLKCOCOH-ZDUSSCGKSA-N 2 2 321.327 3.042 20 0 DGADLP FC1(F)Oc2cccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2O1 ZINC000666304694 436196160 /nfs/dbraw/zinc/19/61/60/436196160.db2.gz FIUGPWRLKCOCOH-ZDUSSCGKSA-N 2 2 321.327 3.042 20 0 DGADLP C[C@H]1CC2(C[N@@H+]1Cc1cc(-n3cc[nH+]c3)cs1)CCOCC2 ZINC000648071331 436201624 /nfs/dbraw/zinc/20/16/24/436201624.db2.gz YNELGLISLLTNAS-AWEZNQCLSA-N 2 2 317.458 3.325 20 0 DGADLP C[C@H]1CC2(C[N@H+]1Cc1cc(-n3cc[nH+]c3)cs1)CCOCC2 ZINC000648071331 436201625 /nfs/dbraw/zinc/20/16/25/436201625.db2.gz YNELGLISLLTNAS-AWEZNQCLSA-N 2 2 317.458 3.325 20 0 DGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452255 436207804 /nfs/dbraw/zinc/20/78/04/436207804.db2.gz CQYMENDDKSLPTF-SFHVURJKSA-N 2 2 312.461 3.076 20 0 DGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452255 436207808 /nfs/dbraw/zinc/20/78/08/436207808.db2.gz CQYMENDDKSLPTF-SFHVURJKSA-N 2 2 312.461 3.076 20 0 DGADLP c1c2ccncc2sc1C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000657450818 436208563 /nfs/dbraw/zinc/20/85/63/436208563.db2.gz WVDYAMCOCDJEGF-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2ccncc2sc1C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000657450818 436208567 /nfs/dbraw/zinc/20/85/67/436208567.db2.gz WVDYAMCOCDJEGF-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1c3ccccc3CC13CCOCC3)CCC2 ZINC000657470922 436217251 /nfs/dbraw/zinc/21/72/51/436217251.db2.gz WIQKNXXPSPBANQ-LJQANCHMSA-N 2 2 323.440 3.013 20 0 DGADLP Cc1c(Br)cccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657505787 436230340 /nfs/dbraw/zinc/23/03/40/436230340.db2.gz UEGIJYODSLRQST-UHFFFAOYSA-N 2 2 320.234 3.190 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000657500413 436230741 /nfs/dbraw/zinc/23/07/41/436230741.db2.gz NOVUPVIXYNZYJB-UHFFFAOYSA-N 2 2 301.459 3.301 20 0 DGADLP CC1(C)[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(F)F ZINC000657739820 436292061 /nfs/dbraw/zinc/29/20/61/436292061.db2.gz WKBPSPDJSNGDAN-NSHDSACASA-N 2 2 314.342 3.284 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752200 436295153 /nfs/dbraw/zinc/29/51/53/436295153.db2.gz NHJRHQCKTYIFLA-RDTXWAMCSA-N 2 2 322.880 3.114 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000666857619 436295182 /nfs/dbraw/zinc/29/51/82/436295182.db2.gz BFVWIDORWCAFCU-INIZCTEOSA-N 3 2 321.896 3.036 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653910157 436296234 /nfs/dbraw/zinc/29/62/34/436296234.db2.gz UTADVCUBYAYCFV-MSOLQXFVSA-N 2 2 313.445 3.422 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653910157 436296237 /nfs/dbraw/zinc/29/62/37/436296237.db2.gz UTADVCUBYAYCFV-MSOLQXFVSA-N 2 2 313.445 3.422 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653688917 436243855 /nfs/dbraw/zinc/24/38/55/436243855.db2.gz QYSIPPVCTAPJHZ-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653688917 436243856 /nfs/dbraw/zinc/24/38/56/436243856.db2.gz QYSIPPVCTAPJHZ-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657588380 436255577 /nfs/dbraw/zinc/25/55/77/436255577.db2.gz PMHAUEPANJPXDK-FXAWDEMLSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657588380 436255581 /nfs/dbraw/zinc/25/55/81/436255581.db2.gz PMHAUEPANJPXDK-FXAWDEMLSA-N 2 2 309.457 3.358 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000666617837 436255730 /nfs/dbraw/zinc/25/57/30/436255730.db2.gz PZQIWZDISRLUGJ-GJZGRUSLSA-N 2 2 301.434 3.381 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000666617837 436255733 /nfs/dbraw/zinc/25/57/33/436255733.db2.gz PZQIWZDISRLUGJ-GJZGRUSLSA-N 2 2 301.434 3.381 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657609892 436258575 /nfs/dbraw/zinc/25/85/75/436258575.db2.gz LPYQTLRNOFAPOR-IYARVYRRSA-N 2 2 322.880 3.462 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662051813 436259235 /nfs/dbraw/zinc/25/92/35/436259235.db2.gz NVIQXJNJSGIAEO-RISCZKNCSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662051813 436259237 /nfs/dbraw/zinc/25/92/37/436259237.db2.gz NVIQXJNJSGIAEO-RISCZKNCSA-N 2 2 317.260 3.101 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657638781 436266831 /nfs/dbraw/zinc/26/68/31/436266831.db2.gz WSHYKNCDXYQHKI-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657638781 436266833 /nfs/dbraw/zinc/26/68/33/436266833.db2.gz WSHYKNCDXYQHKI-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3cn(C)c4ccccc34)n2c1 ZINC000657660476 436270889 /nfs/dbraw/zinc/27/08/89/436270889.db2.gz BJXSVJAGZZLOLB-UHFFFAOYSA-N 2 2 318.424 3.467 20 0 DGADLP COCc1csc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000657659029 436271047 /nfs/dbraw/zinc/27/10/47/436271047.db2.gz AJVJXOPNKKRLDP-UHFFFAOYSA-N 2 2 319.455 3.432 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662091330 436271797 /nfs/dbraw/zinc/27/17/97/436271797.db2.gz FAFNPRRCKIZHIR-OAHLLOKOSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662091330 436271799 /nfs/dbraw/zinc/27/17/99/436271799.db2.gz FAFNPRRCKIZHIR-OAHLLOKOSA-N 2 2 320.234 3.172 20 0 DGADLP Cc1cccn2c(CN[C@@H]3CC[N@@H+](C4CCCCC4)C3)c[nH+]c12 ZINC000657678453 436275780 /nfs/dbraw/zinc/27/57/80/436275780.db2.gz QRPKDTYBKDBXGZ-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1cccn2c(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)c[nH+]c12 ZINC000657678453 436275785 /nfs/dbraw/zinc/27/57/85/436275785.db2.gz QRPKDTYBKDBXGZ-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP CCn1c[nH+]cc1C[NH2+]Cc1sc(C)cc1Br ZINC000657674571 436276401 /nfs/dbraw/zinc/27/64/01/436276401.db2.gz ZMZUMYDEVXJEPF-UHFFFAOYSA-N 2 2 314.252 3.325 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666769903 436279423 /nfs/dbraw/zinc/27/94/23/436279423.db2.gz GVKCVGXJXZSHOW-MAUKXSAKSA-N 2 2 317.477 3.259 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657932682 436342337 /nfs/dbraw/zinc/34/23/37/436342337.db2.gz QNJUSFQZQGADGS-AWEZNQCLSA-N 2 2 323.431 3.284 20 0 DGADLP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000662389547 436342911 /nfs/dbraw/zinc/34/29/11/436342911.db2.gz CJTNMKWWYWXEEU-MRXNPFEDSA-N 2 2 322.412 3.246 20 0 DGADLP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC000666945207 436312518 /nfs/dbraw/zinc/31/25/18/436312518.db2.gz DDHLMYASLWFMMI-RYUDHWBXSA-N 2 2 308.397 3.344 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000666946806 436312530 /nfs/dbraw/zinc/31/25/30/436312530.db2.gz RFHHNHCTVVUWNR-ICSRJNTNSA-N 2 2 312.432 3.130 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1OC(F)F ZINC000662272629 436320928 /nfs/dbraw/zinc/32/09/28/436320928.db2.gz HARYYIFEFMVYJQ-GFCCVEGCSA-N 2 2 302.340 3.130 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1OC(F)F ZINC000662272629 436320933 /nfs/dbraw/zinc/32/09/33/436320933.db2.gz HARYYIFEFMVYJQ-GFCCVEGCSA-N 2 2 302.340 3.130 20 0 DGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)C ZINC000662282609 436323647 /nfs/dbraw/zinc/32/36/47/436323647.db2.gz PCLFSJDXLWHASQ-PBHICJAKSA-N 2 2 302.418 3.016 20 0 DGADLP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657851954 436326897 /nfs/dbraw/zinc/32/68/97/436326897.db2.gz IJOSZEKXGKQIDY-AWEZNQCLSA-N 2 2 308.416 3.111 20 0 DGADLP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)[N@H+]1CCc2ccccc2C1 ZINC000657851954 436326899 /nfs/dbraw/zinc/32/68/99/436326899.db2.gz IJOSZEKXGKQIDY-AWEZNQCLSA-N 2 2 308.416 3.111 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657882603 436332837 /nfs/dbraw/zinc/33/28/37/436332837.db2.gz TUNQZYRNCFQEKJ-RDJZCZTQSA-N 2 2 302.462 3.417 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nccc32)CC[N@@H+]1Cc1ccccc1 ZINC000657901667 436336746 /nfs/dbraw/zinc/33/67/46/436336746.db2.gz RXEZTTMLXUVAJS-NEWSRXKRSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nccc32)CC[N@H+]1Cc1ccccc1 ZINC000657901667 436336749 /nfs/dbraw/zinc/33/67/49/436336749.db2.gz RXEZTTMLXUVAJS-NEWSRXKRSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057649 436360787 /nfs/dbraw/zinc/36/07/87/436360787.db2.gz PQSKXQHUUGPFFA-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057649 436360791 /nfs/dbraw/zinc/36/07/91/436360791.db2.gz PQSKXQHUUGPFFA-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062261 436363842 /nfs/dbraw/zinc/36/38/42/436363842.db2.gz DYZLCPZDPHTLCS-HKUYNNGSSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062261 436363844 /nfs/dbraw/zinc/36/38/44/436363844.db2.gz DYZLCPZDPHTLCS-HKUYNNGSSA-N 2 2 309.457 3.439 20 0 DGADLP c1c[nH+]c([C@@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229899 436407374 /nfs/dbraw/zinc/40/73/74/436407374.db2.gz ULXDIUNVUSGGPV-HKUYNNGSSA-N 2 2 324.472 3.496 20 0 DGADLP c1c[nH+]c([C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229899 436407377 /nfs/dbraw/zinc/40/73/77/436407377.db2.gz ULXDIUNVUSGGPV-HKUYNNGSSA-N 2 2 324.472 3.496 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238030 436408698 /nfs/dbraw/zinc/40/86/98/436408698.db2.gz PMOCTWQJBRXBFC-LPTQZCDUSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238030 436408702 /nfs/dbraw/zinc/40/87/02/436408702.db2.gz PMOCTWQJBRXBFC-LPTQZCDUSA-N 2 2 322.452 3.490 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054326 436359437 /nfs/dbraw/zinc/35/94/37/436359437.db2.gz DLLJYKZODWJTCV-QZTJIDSGSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054326 436359439 /nfs/dbraw/zinc/35/94/39/436359439.db2.gz DLLJYKZODWJTCV-QZTJIDSGSA-N 2 2 322.468 3.236 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccco1 ZINC000658326551 436430693 /nfs/dbraw/zinc/43/06/93/436430693.db2.gz HCOGKOJKXAMIEK-LPHOPBHVSA-N 2 2 313.445 3.107 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccco1 ZINC000658326551 436430695 /nfs/dbraw/zinc/43/06/95/436430695.db2.gz HCOGKOJKXAMIEK-LPHOPBHVSA-N 2 2 313.445 3.107 20 0 DGADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1F ZINC000663344905 436443739 /nfs/dbraw/zinc/44/37/39/436443739.db2.gz YSYTUCQAWHEZOG-CYBMUJFWSA-N 2 2 312.379 3.316 20 0 DGADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1F ZINC000663344905 436443742 /nfs/dbraw/zinc/44/37/42/436443742.db2.gz YSYTUCQAWHEZOG-CYBMUJFWSA-N 2 2 312.379 3.316 20 0 DGADLP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416329 436457176 /nfs/dbraw/zinc/45/71/76/436457176.db2.gz MYTXGFAUJYBTHZ-CRAIPNDOSA-N 2 2 311.429 3.130 20 0 DGADLP Cc1cc(CO)cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416329 436457180 /nfs/dbraw/zinc/45/71/80/436457180.db2.gz MYTXGFAUJYBTHZ-CRAIPNDOSA-N 2 2 311.429 3.130 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000658286436 436419564 /nfs/dbraw/zinc/41/95/64/436419564.db2.gz SVMDWTXUXZYKBK-KURKYZTESA-N 2 2 301.478 3.490 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000658286436 436419566 /nfs/dbraw/zinc/41/95/66/436419566.db2.gz SVMDWTXUXZYKBK-KURKYZTESA-N 2 2 301.478 3.490 20 0 DGADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccncc1 ZINC000658293434 436420471 /nfs/dbraw/zinc/42/04/71/436420471.db2.gz AEQJKJFIUTYHPX-RTBURBONSA-N 2 2 317.477 3.012 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658294974 436420852 /nfs/dbraw/zinc/42/08/52/436420852.db2.gz QIIFJXHXVIYSCF-SJLPKXTDSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658297246 436422337 /nfs/dbraw/zinc/42/23/37/436422337.db2.gz ZORMRYOLBOOCGP-LDTOTXGLSA-N 2 2 314.473 3.022 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]ccc2c(N)cccc21 ZINC000663845655 436517834 /nfs/dbraw/zinc/51/78/34/436517834.db2.gz ZYNAIVONUGGHQV-UHFFFAOYSA-N 2 2 323.444 3.493 20 0 DGADLP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000663870864 436521711 /nfs/dbraw/zinc/52/17/11/436521711.db2.gz MDTFWSDSTQVVPZ-KRWDZBQOSA-N 2 2 303.450 3.091 20 0 DGADLP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)[nH+]1 ZINC000663870864 436521715 /nfs/dbraw/zinc/52/17/15/436521715.db2.gz MDTFWSDSTQVVPZ-KRWDZBQOSA-N 2 2 303.450 3.091 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497909 436470805 /nfs/dbraw/zinc/47/08/05/436470805.db2.gz LMLUWOUDYVAWBA-UHFFFAOYSA-N 2 2 308.425 3.204 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000663508461 436472248 /nfs/dbraw/zinc/47/22/48/436472248.db2.gz AIUXKVMKDAHHIS-CYBMUJFWSA-N 2 2 320.458 3.033 20 0 DGADLP Cc1ccc([C@@H](CNc2cc(CO)cc(C)[nH+]2)[NH+]2CCCC2)o1 ZINC000663522705 436474656 /nfs/dbraw/zinc/47/46/56/436474656.db2.gz CENCHMIOHYLORU-MRXNPFEDSA-N 2 2 315.417 3.033 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)[nH+]1 ZINC000663940294 436530642 /nfs/dbraw/zinc/53/06/42/436530642.db2.gz XAIWLDMPGQBWMM-OAHLLOKOSA-N 2 2 313.367 3.331 20 0 DGADLP c1ccc2nc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cnc2c1 ZINC000659847126 436541373 /nfs/dbraw/zinc/54/13/73/436541373.db2.gz UEKCLJQOXBVWJU-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C)n1 ZINC000659879237 436553595 /nfs/dbraw/zinc/55/35/95/436553595.db2.gz VAAWBYFPCSMRGT-GOSISDBHSA-N 2 2 316.493 3.181 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C)n1 ZINC000659879237 436553600 /nfs/dbraw/zinc/55/36/00/436553600.db2.gz VAAWBYFPCSMRGT-GOSISDBHSA-N 2 2 316.493 3.181 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655683944 436574670 /nfs/dbraw/zinc/57/46/70/436574670.db2.gz JQQDQTFQAMGNHV-FUHWJXTLSA-N 2 2 302.462 3.207 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000655687921 436574690 /nfs/dbraw/zinc/57/46/90/436574690.db2.gz AADYMZGSBXWROV-IBGZPJMESA-N 2 2 324.472 3.015 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)s1 ZINC000655692043 436575491 /nfs/dbraw/zinc/57/54/91/436575491.db2.gz COQQQDJAUKXPOY-CZUORRHYSA-N 2 2 308.491 3.269 20 0 DGADLP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655689987 436576053 /nfs/dbraw/zinc/57/60/53/436576053.db2.gz QKODIFYYRWDGET-NVXWUHKLSA-N 2 2 318.486 3.066 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000660307330 436621981 /nfs/dbraw/zinc/62/19/81/436621981.db2.gz WIIACWSIAKRLJP-KXBFYZLASA-N 2 2 313.445 3.237 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000660307330 436621983 /nfs/dbraw/zinc/62/19/83/436621983.db2.gz WIIACWSIAKRLJP-KXBFYZLASA-N 2 2 313.445 3.237 20 0 DGADLP c1ccc2[nH+]c(NCC3CC[NH+](Cc4ccncc4)CC3)[nH]c2c1 ZINC000664287624 436582573 /nfs/dbraw/zinc/58/25/73/436582573.db2.gz RLKNQBRQFIWUSH-UHFFFAOYSA-N 2 2 321.428 3.282 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000660077313 436586509 /nfs/dbraw/zinc/58/65/09/436586509.db2.gz NMWHZXWETYBJMW-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000660077313 436586512 /nfs/dbraw/zinc/58/65/12/436586512.db2.gz NMWHZXWETYBJMW-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP CCc1ccc(C2=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)cc1 ZINC000660169811 436599728 /nfs/dbraw/zinc/59/97/28/436599728.db2.gz QBCZGROYQWYRLN-HXUWFJFHSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1ccc(C2=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)cc1 ZINC000660169811 436599730 /nfs/dbraw/zinc/59/97/30/436599730.db2.gz QBCZGROYQWYRLN-HXUWFJFHSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1ccc(C2=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000660169811 436599732 /nfs/dbraw/zinc/59/97/32/436599732.db2.gz QBCZGROYQWYRLN-HXUWFJFHSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1ccc(C2=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000660169811 436599734 /nfs/dbraw/zinc/59/97/34/436599734.db2.gz QBCZGROYQWYRLN-HXUWFJFHSA-N 2 2 316.489 3.039 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660199738 436604676 /nfs/dbraw/zinc/60/46/76/436604676.db2.gz CMFILKXXHXVHKM-WMZOPIPTSA-N 2 2 322.493 3.073 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660199738 436604678 /nfs/dbraw/zinc/60/46/78/436604678.db2.gz CMFILKXXHXVHKM-WMZOPIPTSA-N 2 2 322.493 3.073 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000287488256 302267944 /nfs/dbraw/zinc/26/79/44/302267944.db2.gz KQALSMIYBIRWLE-ZDUSSCGKSA-N 2 2 318.465 3.330 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000287488256 302267947 /nfs/dbraw/zinc/26/79/47/302267947.db2.gz KQALSMIYBIRWLE-ZDUSSCGKSA-N 2 2 318.465 3.330 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000134040199 312681835 /nfs/dbraw/zinc/68/18/35/312681835.db2.gz CWRGPRAOSPVROE-QYZOEREBSA-N 2 2 304.478 3.474 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(-c2cccnc2)c1)Cn1cc[nH+]c1 ZINC000178854217 312792796 /nfs/dbraw/zinc/79/27/96/312792796.db2.gz QAPBIMIHCHPSTI-INIZCTEOSA-N 2 2 306.413 3.371 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726426 313066416 /nfs/dbraw/zinc/06/64/16/313066416.db2.gz AQLGTXUBKGEEFT-SFHVURJKSA-N 2 2 320.452 3.464 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccsc1C(F)(F)F ZINC000529567645 313229185 /nfs/dbraw/zinc/22/91/85/313229185.db2.gz MKBUDVRYYZHDIF-UHFFFAOYSA-N 2 2 303.353 3.486 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583488 313232852 /nfs/dbraw/zinc/23/28/52/313232852.db2.gz OPZIORLANDWQTL-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583488 313232856 /nfs/dbraw/zinc/23/28/56/313232856.db2.gz OPZIORLANDWQTL-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583488 313232858 /nfs/dbraw/zinc/23/28/58/313232858.db2.gz OPZIORLANDWQTL-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583488 313232860 /nfs/dbraw/zinc/23/28/60/313232860.db2.gz OPZIORLANDWQTL-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)ccc1Cl ZINC000529663889 313249450 /nfs/dbraw/zinc/24/94/50/313249450.db2.gz MFJAFOAZTMISSG-UHFFFAOYSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216979 313341232 /nfs/dbraw/zinc/34/12/32/313341232.db2.gz DVLPRNGKIGZBIR-KDOFPFPSSA-N 3 2 310.445 3.116 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(-c2ccccc2)nn1C ZINC000530216560 313341564 /nfs/dbraw/zinc/34/15/64/313341564.db2.gz QLYHJEHQDMOJGW-KDOFPFPSSA-N 2 2 310.445 3.022 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530243964 313347046 /nfs/dbraw/zinc/34/70/46/313347046.db2.gz JNEQZGQXYKYDPT-LJQANCHMSA-N 2 2 323.440 3.131 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C[C@@H]1n1cc[nH+]c1 ZINC000530516749 313379604 /nfs/dbraw/zinc/37/96/04/313379604.db2.gz LCGUTEOOTKHLRP-ZACQAIPSSA-N 2 2 303.450 3.258 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@@H]1n1cc[nH+]c1 ZINC000530516749 313379606 /nfs/dbraw/zinc/37/96/06/313379606.db2.gz LCGUTEOOTKHLRP-ZACQAIPSSA-N 2 2 303.450 3.258 20 0 DGADLP CCc1cc(NCc2cn3ccccc3[nH+]2)c2ccccc2[nH+]1 ZINC000533555318 313627703 /nfs/dbraw/zinc/62/77/03/313627703.db2.gz GSCGLHQBTVFSGQ-UHFFFAOYSA-N 2 2 302.381 3.479 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3nc4ccccc4o3)CC2)[nH+]c1 ZINC000534127713 313650130 /nfs/dbraw/zinc/65/01/30/313650130.db2.gz AYNCEMJOXDKSIQ-UHFFFAOYSA-N 2 2 308.385 3.299 20 0 DGADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000540989408 313992020 /nfs/dbraw/zinc/99/20/20/313992020.db2.gz ZDBHQWMSPGLRSM-INIZCTEOSA-N 2 2 303.381 3.306 20 0 DGADLP CCC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545204770 314232973 /nfs/dbraw/zinc/23/29/73/314232973.db2.gz WCAPHGOUAQVKHA-WMZOPIPTSA-N 2 2 324.509 3.353 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC000551012955 314547536 /nfs/dbraw/zinc/54/75/36/314547536.db2.gz DFOUFQXQSLUPPO-MOPGFXCFSA-N 2 2 310.441 3.191 20 0 DGADLP FC(F)c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000551965451 314584049 /nfs/dbraw/zinc/58/40/49/314584049.db2.gz URNFGJSDJXHUAW-UHFFFAOYSA-N 2 2 314.339 3.298 20 0 DGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000560258289 314909872 /nfs/dbraw/zinc/90/98/72/314909872.db2.gz VNJUKBXAKFQRNQ-CABCVRRESA-N 2 2 300.368 3.493 20 0 DGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000563438465 315116019 /nfs/dbraw/zinc/11/60/19/315116019.db2.gz DLHSHWWBXRODMI-CYBMUJFWSA-N 2 2 314.433 3.003 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C2(c3cccc(Br)c3)CC2)n1C ZINC000563550784 315123631 /nfs/dbraw/zinc/12/36/31/315123631.db2.gz USQHIILYUFGJOR-UHFFFAOYSA-N 2 2 320.234 3.270 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)C[C@H]1c1ccccc1 ZINC000563948278 315149235 /nfs/dbraw/zinc/14/92/35/315149235.db2.gz MUWZODVZHAJXNM-HKUYNNGSSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)C[C@H]1c1ccccc1 ZINC000563948278 315149236 /nfs/dbraw/zinc/14/92/36/315149236.db2.gz MUWZODVZHAJXNM-HKUYNNGSSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322900 315169450 /nfs/dbraw/zinc/16/94/50/315169450.db2.gz COBNFIODWWWWHF-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322900 315169453 /nfs/dbraw/zinc/16/94/53/315169453.db2.gz COBNFIODWWWWHF-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322900 315169456 /nfs/dbraw/zinc/16/94/56/315169456.db2.gz COBNFIODWWWWHF-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322900 315169459 /nfs/dbraw/zinc/16/94/59/315169459.db2.gz COBNFIODWWWWHF-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000564446802 315176685 /nfs/dbraw/zinc/17/66/85/315176685.db2.gz OGLFLFYDOQWKMP-UHFFFAOYSA-N 2 2 318.848 3.471 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000564446802 315176688 /nfs/dbraw/zinc/17/66/88/315176688.db2.gz OGLFLFYDOQWKMP-UHFFFAOYSA-N 2 2 318.848 3.471 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000564631582 315187401 /nfs/dbraw/zinc/18/74/01/315187401.db2.gz MZBJRSPBXPWZEL-NZKYLMMGSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000564631582 315187403 /nfs/dbraw/zinc/18/74/03/315187403.db2.gz MZBJRSPBXPWZEL-NZKYLMMGSA-N 2 2 302.462 3.195 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000565161595 315236118 /nfs/dbraw/zinc/23/61/18/315236118.db2.gz GSYJRTSVZYLLHY-QGZVFWFLSA-N 2 2 319.836 3.080 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000565161595 315236120 /nfs/dbraw/zinc/23/61/20/315236120.db2.gz GSYJRTSVZYLLHY-QGZVFWFLSA-N 2 2 319.836 3.080 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000565161594 315236225 /nfs/dbraw/zinc/23/62/25/315236225.db2.gz GSYJRTSVZYLLHY-KRWDZBQOSA-N 2 2 319.836 3.080 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000565161594 315236227 /nfs/dbraw/zinc/23/62/27/315236227.db2.gz GSYJRTSVZYLLHY-KRWDZBQOSA-N 2 2 319.836 3.080 20 0 DGADLP Cc1[nH+]c2cc(CNc3cc(C)[nH+]c(C)n3)ccc2n1C1CC1 ZINC000565226920 315244706 /nfs/dbraw/zinc/24/47/06/315244706.db2.gz PDYNXMZJSQHZAD-UHFFFAOYSA-N 2 2 307.401 3.120 20 0 DGADLP CCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)C(C)C ZINC000565233384 315245419 /nfs/dbraw/zinc/24/54/19/315245419.db2.gz IKVOMGGYFJMLIV-OAHLLOKOSA-N 2 2 303.450 3.080 20 0 DGADLP CCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)C(C)C ZINC000565233384 315245421 /nfs/dbraw/zinc/24/54/21/315245421.db2.gz IKVOMGGYFJMLIV-OAHLLOKOSA-N 2 2 303.450 3.080 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000565246530 315246875 /nfs/dbraw/zinc/24/68/75/315246875.db2.gz OQWNDSFEUHHLEP-VSZNYVQBSA-N 2 2 324.509 3.064 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000565298563 315250698 /nfs/dbraw/zinc/25/06/98/315250698.db2.gz FDURYTSIRWRHCY-HNAYVOBHSA-N 2 2 314.429 3.084 20 0 DGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565844350 315292013 /nfs/dbraw/zinc/29/20/13/315292013.db2.gz ZPXSGQRLNJSXDJ-HXUWFJFHSA-N 2 2 314.473 3.251 20 0 DGADLP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565844350 315292014 /nfs/dbraw/zinc/29/20/14/315292014.db2.gz ZPXSGQRLNJSXDJ-HXUWFJFHSA-N 2 2 314.473 3.251 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)nc2c1 ZINC000566961440 315386474 /nfs/dbraw/zinc/38/64/74/315386474.db2.gz QLNWNIFCUJRGDI-CABCVRRESA-N 2 2 300.450 3.272 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)[nH]c2c1 ZINC000566961440 315386475 /nfs/dbraw/zinc/38/64/75/315386475.db2.gz QLNWNIFCUJRGDI-CABCVRRESA-N 2 2 300.450 3.272 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000569817081 315605776 /nfs/dbraw/zinc/60/57/76/315605776.db2.gz TXGMUKDWEQOIGN-LLVKDONJSA-N 2 2 309.866 3.409 20 0 DGADLP Cc1[nH]c(CNC2CC[NH+](Cc3ccccc3C)CC2)[nH+]c1C ZINC000570345196 315643117 /nfs/dbraw/zinc/64/31/17/315643117.db2.gz HBGSERQCVMZRPH-UHFFFAOYSA-N 2 2 312.461 3.089 20 0 DGADLP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000570947686 315686605 /nfs/dbraw/zinc/68/66/05/315686605.db2.gz OSUFWNZYDCVGGU-UHFFFAOYSA-N 3 2 307.526 3.249 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000576368578 316123762 /nfs/dbraw/zinc/12/37/62/316123762.db2.gz BXCPKMJNSIDZGR-IBGZPJMESA-N 2 2 318.424 3.053 20 0 DGADLP Brc1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000576943268 316185289 /nfs/dbraw/zinc/18/52/89/316185289.db2.gz DGLPERHZFRYKTR-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1csc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000576943268 316185291 /nfs/dbraw/zinc/18/52/91/316185291.db2.gz DGLPERHZFRYKTR-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000576963428 316187466 /nfs/dbraw/zinc/18/74/66/316187466.db2.gz KNKNBPSZYURTPV-AWEZNQCLSA-N 2 2 319.836 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000576963428 316187470 /nfs/dbraw/zinc/18/74/70/316187470.db2.gz KNKNBPSZYURTPV-AWEZNQCLSA-N 2 2 319.836 3.332 20 0 DGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000577038347 316195076 /nfs/dbraw/zinc/19/50/76/316195076.db2.gz BZGLLJGHOATXNV-WBVHZDCISA-N 2 2 324.428 3.017 20 0 DGADLP c1[nH]nc2cc(C[N@@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)ccc12 ZINC000577633818 316255619 /nfs/dbraw/zinc/25/56/19/316255619.db2.gz ZWKDWWNFQUMBFL-LJQANCHMSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cc(C[N@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)ccc12 ZINC000577633818 316255623 /nfs/dbraw/zinc/25/56/23/316255623.db2.gz ZWKDWWNFQUMBFL-LJQANCHMSA-N 2 2 320.440 3.317 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3COc4c(C)cccc4C3)c[nH+]c12 ZINC000577684205 316259181 /nfs/dbraw/zinc/25/91/81/316259181.db2.gz YSIJRTGNQLOVBY-INIZCTEOSA-N 2 2 307.397 3.044 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3CCCCCC3)c2cc1C ZINC000577709489 316262035 /nfs/dbraw/zinc/26/20/35/316262035.db2.gz ZFWUMQGRIRZMDO-KRWDZBQOSA-N 2 2 315.461 3.326 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000577729716 316264860 /nfs/dbraw/zinc/26/48/60/316264860.db2.gz YMLSKZZSHROQBV-CXAGYDPISA-N 2 2 308.853 3.071 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000180153806 323222377 /nfs/dbraw/zinc/22/23/77/323222377.db2.gz WYIURLKADYUCJE-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000180153806 323222380 /nfs/dbraw/zinc/22/23/80/323222380.db2.gz WYIURLKADYUCJE-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000181479746 323255630 /nfs/dbraw/zinc/25/56/30/323255630.db2.gz QWKDMEXKRXRLPA-QZTJIDSGSA-N 2 2 313.445 3.225 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1[nH+]ccn1C)Cc1ccccc1 ZINC000182358941 323295186 /nfs/dbraw/zinc/29/51/86/323295186.db2.gz OEWNFNQFNLGREH-WMZOPIPTSA-N 2 2 314.477 3.024 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682193 323393124 /nfs/dbraw/zinc/39/31/24/323393124.db2.gz ZVOSHAOYHHCWRH-DZGCQCFKSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682193 323393128 /nfs/dbraw/zinc/39/31/28/323393128.db2.gz ZVOSHAOYHHCWRH-DZGCQCFKSA-N 2 2 307.869 3.478 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CCCC[NH3+])c1 ZINC000579471092 323873094 /nfs/dbraw/zinc/87/30/94/323873094.db2.gz FMUBBUZZHGNYCP-UHFFFAOYSA-N 2 2 314.433 3.418 20 0 DGADLP CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1c[nH+]c(C)n1C ZINC000580581298 324015791 /nfs/dbraw/zinc/01/57/91/324015791.db2.gz IJLATUDJXXCWKO-INIZCTEOSA-N 2 2 322.840 3.114 20 0 DGADLP Clc1ccsc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000580860034 324047172 /nfs/dbraw/zinc/04/71/72/324047172.db2.gz KYGMTKMUZATGDS-CYBMUJFWSA-N 2 2 314.882 3.088 20 0 DGADLP c1[nH+]c2n(c1CNc1[nH+]cnc3[nH]c4ccccc4c31)CCCC2 ZINC000580933518 324054823 /nfs/dbraw/zinc/05/48/23/324054823.db2.gz XTFHOUFJFKUEAJ-UHFFFAOYSA-N 2 2 318.384 3.256 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000581110164 324075255 /nfs/dbraw/zinc/07/52/55/324075255.db2.gz WHLBWNFXIYWDKA-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000581110164 324075257 /nfs/dbraw/zinc/07/52/57/324075257.db2.gz WHLBWNFXIYWDKA-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CC1 ZINC000581541868 324128319 /nfs/dbraw/zinc/12/83/19/324128319.db2.gz RJACSHFFCIBEHP-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP CC(C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CC1 ZINC000581541868 324128322 /nfs/dbraw/zinc/12/83/22/324128322.db2.gz RJACSHFFCIBEHP-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C/C=C\c2ccc(Br)cc2)n1C ZINC000581677550 324144059 /nfs/dbraw/zinc/14/40/59/324144059.db2.gz FTQANVVIAZXQIN-ARJAWSKDSA-N 2 2 320.234 3.294 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000581736154 324151664 /nfs/dbraw/zinc/15/16/64/324151664.db2.gz MZSIBRAIDFYVMK-HNNXBMFYSA-N 2 2 324.472 3.273 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000581736154 324151666 /nfs/dbraw/zinc/15/16/66/324151666.db2.gz MZSIBRAIDFYVMK-HNNXBMFYSA-N 2 2 324.472 3.273 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc2ccccc2o1 ZINC000581878647 324162780 /nfs/dbraw/zinc/16/27/80/324162780.db2.gz WCVUDONXGRYSEW-AWEZNQCLSA-N 2 2 322.412 3.411 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070744 324186470 /nfs/dbraw/zinc/18/64/70/324186470.db2.gz WLQQWFJWLRLSNG-WBVHZDCISA-N 2 2 323.440 3.104 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070744 324186472 /nfs/dbraw/zinc/18/64/72/324186472.db2.gz WLQQWFJWLRLSNG-WBVHZDCISA-N 2 2 323.440 3.104 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554533 324245478 /nfs/dbraw/zinc/24/54/78/324245478.db2.gz OWIUTIUJYKNQNO-WDEREUQCSA-N 2 2 323.412 3.400 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554533 324245484 /nfs/dbraw/zinc/24/54/84/324245484.db2.gz OWIUTIUJYKNQNO-WDEREUQCSA-N 2 2 323.412 3.400 20 0 DGADLP [NH3+]C1(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CCC1 ZINC000582660159 324258704 /nfs/dbraw/zinc/25/87/04/324258704.db2.gz MQBKXDKGFLUHEM-SFHVURJKSA-N 2 2 307.397 3.388 20 0 DGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000582864237 324285380 /nfs/dbraw/zinc/28/53/80/324285380.db2.gz WTCFEVYIVMHEAC-CQSZACIVSA-N 2 2 314.433 3.215 20 0 DGADLP COc1ccc2nc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)sc2c1 ZINC000583268789 324333906 /nfs/dbraw/zinc/33/39/06/324333906.db2.gz VGFRNIJEPGYJET-SWLSCSKDSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)sc2c1 ZINC000583268789 324333909 /nfs/dbraw/zinc/33/39/09/324333909.db2.gz VGFRNIJEPGYJET-SWLSCSKDSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)sc2c1 ZINC000583268789 324333912 /nfs/dbraw/zinc/33/39/12/324333912.db2.gz VGFRNIJEPGYJET-SWLSCSKDSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)sc2c1 ZINC000583268789 324333915 /nfs/dbraw/zinc/33/39/15/324333915.db2.gz VGFRNIJEPGYJET-SWLSCSKDSA-N 2 2 319.474 3.077 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(-c2ccnn2C)c1 ZINC000583612275 324375698 /nfs/dbraw/zinc/37/56/98/324375698.db2.gz PPMJHOUTYZRACF-IBGZPJMESA-N 2 2 320.440 3.185 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000583641442 324380224 /nfs/dbraw/zinc/38/02/24/324380224.db2.gz PYMPVFOFEVRPQG-IYOUNJFTSA-N 2 2 300.402 3.237 20 0 DGADLP c1c[nH+]c([C@H]2CCCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)[nH]1 ZINC000583912604 324413639 /nfs/dbraw/zinc/41/36/39/324413639.db2.gz HRYWLBPTWPBYKC-LBPRGKRZSA-N 2 2 318.384 3.218 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1sccc1Br ZINC000037256254 337362332 /nfs/dbraw/zinc/36/23/32/337362332.db2.gz XEAARNJYFGPNJW-SECBINFHSA-N 2 2 303.269 3.255 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1F ZINC000414841181 533751148 /nfs/dbraw/zinc/75/11/48/533751148.db2.gz XZUVCTSCCDOQCB-KDOFPFPSSA-N 2 2 316.420 3.303 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1OCc1cccs1 ZINC000435381081 533790490 /nfs/dbraw/zinc/79/04/90/533790490.db2.gz VDEBVVYJXVJQHJ-ZDUSSCGKSA-N 2 2 320.458 3.115 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1OCc1cccs1 ZINC000435381081 533790495 /nfs/dbraw/zinc/79/04/95/533790495.db2.gz VDEBVVYJXVJQHJ-ZDUSSCGKSA-N 2 2 320.458 3.115 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc[nH+]c3ccncc23)C1 ZINC000444117275 533794590 /nfs/dbraw/zinc/79/45/90/533794590.db2.gz IXCLASFAOKZQJD-IYBDPMFKSA-N 2 2 312.461 3.222 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc[nH+]c3ccncc23)C1 ZINC000444117275 533794602 /nfs/dbraw/zinc/79/46/02/533794602.db2.gz IXCLASFAOKZQJD-IYBDPMFKSA-N 2 2 312.461 3.222 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000323491783 533882121 /nfs/dbraw/zinc/88/21/21/533882121.db2.gz SKNFQFABBDZDPD-GVDBMIGSSA-N 2 2 313.445 3.322 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415056118 533932632 /nfs/dbraw/zinc/93/26/32/533932632.db2.gz PZLGUFQJIMVWNW-CYBMUJFWSA-N 2 2 305.249 3.465 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414862973 533946207 /nfs/dbraw/zinc/94/62/07/533946207.db2.gz XTEHRGNVRZGUQY-DZGCQCFKSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)co2)cc1 ZINC000317311298 534213457 /nfs/dbraw/zinc/21/34/57/534213457.db2.gz VEDGTAJHEZDBDC-QGZVFWFLSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)co2)cc1 ZINC000317311298 534213460 /nfs/dbraw/zinc/21/34/60/534213460.db2.gz VEDGTAJHEZDBDC-QGZVFWFLSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925527 534362733 /nfs/dbraw/zinc/36/27/33/534362733.db2.gz DCEQQJJQOPYWLG-XHDPSFHLSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925527 534362738 /nfs/dbraw/zinc/36/27/38/534362738.db2.gz DCEQQJJQOPYWLG-XHDPSFHLSA-N 2 2 319.836 3.473 20 0 DGADLP FC(F)(F)CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697204 534383859 /nfs/dbraw/zinc/38/38/59/534383859.db2.gz XIESQNUNVFMCEN-NSHDSACASA-N 2 2 319.396 3.040 20 0 DGADLP FC(F)(F)CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697204 534383864 /nfs/dbraw/zinc/38/38/64/534383864.db2.gz XIESQNUNVFMCEN-NSHDSACASA-N 2 2 319.396 3.040 20 0 DGADLP C[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000430933999 534471266 /nfs/dbraw/zinc/47/12/66/534471266.db2.gz KPRDSQSGKIFLTJ-MFKMUULPSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000430933999 534471273 /nfs/dbraw/zinc/47/12/73/534471273.db2.gz KPRDSQSGKIFLTJ-MFKMUULPSA-N 2 2 303.233 3.041 20 0 DGADLP c1coc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415033695 534513527 /nfs/dbraw/zinc/51/35/27/534513527.db2.gz BWDKXMXFJBMGPM-DZGCQCFKSA-N 2 2 317.458 3.367 20 0 DGADLP c1coc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415033695 534513536 /nfs/dbraw/zinc/51/35/36/534513536.db2.gz BWDKXMXFJBMGPM-DZGCQCFKSA-N 2 2 317.458 3.367 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297334699 534524029 /nfs/dbraw/zinc/52/40/29/534524029.db2.gz DBEOJYKNZJUIND-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP Cc1nc(NCCCCNc2cccc[nH+]2)c2c([nH+]1)CCCC2 ZINC000302047880 534622220 /nfs/dbraw/zinc/62/22/20/534622220.db2.gz LVIHOYZARDQJGB-UHFFFAOYSA-N 2 2 311.433 3.363 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420354311 534639243 /nfs/dbraw/zinc/63/92/43/534639243.db2.gz CQOZTIBBQDJSGC-HNNXBMFYSA-N 2 2 305.466 3.020 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430545473 534639762 /nfs/dbraw/zinc/63/97/62/534639762.db2.gz QSOQPBIAPXEKTK-QGZVFWFLSA-N 2 2 319.493 3.362 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430545473 534639769 /nfs/dbraw/zinc/63/97/69/534639769.db2.gz QSOQPBIAPXEKTK-QGZVFWFLSA-N 2 2 319.493 3.362 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000434670119 534644070 /nfs/dbraw/zinc/64/40/70/534644070.db2.gz OXIBTJLGFCJWFS-AWEZNQCLSA-N 2 2 314.433 3.456 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccncc1 ZINC000163647677 522564192 /nfs/dbraw/zinc/56/41/92/522564192.db2.gz JLNXYRLMMDWPAA-IBGZPJMESA-N 2 2 310.445 3.182 20 0 DGADLP Clc1ccccc1OCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000415079995 534653533 /nfs/dbraw/zinc/65/35/33/534653533.db2.gz KTRAZKRWNKJMAD-MRXNPFEDSA-N 2 2 316.832 3.371 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000296664813 534711784 /nfs/dbraw/zinc/71/17/84/534711784.db2.gz FPCCIHDNJMWPAQ-UHFFFAOYSA-N 2 2 319.355 3.107 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@H]1C[N@H+](C)CCO1 ZINC000154823234 525722737 /nfs/dbraw/zinc/72/27/37/525722737.db2.gz KGRVHRUVWROWCY-BDJLRTHQSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@H]1C[N@@H+](C)CCO1 ZINC000154823234 525722743 /nfs/dbraw/zinc/72/27/43/525722743.db2.gz KGRVHRUVWROWCY-BDJLRTHQSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154823011 525723408 /nfs/dbraw/zinc/72/34/08/525723408.db2.gz KGRVHRUVWROWCY-BZNIZROVSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154823011 525723416 /nfs/dbraw/zinc/72/34/16/525723416.db2.gz KGRVHRUVWROWCY-BZNIZROVSA-N 2 2 305.809 3.019 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F ZINC000163437469 526341298 /nfs/dbraw/zinc/34/12/98/526341298.db2.gz PWHRBBPFGQZTGM-NSHDSACASA-N 2 2 302.315 3.171 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000163437469 526341302 /nfs/dbraw/zinc/34/13/02/526341302.db2.gz PWHRBBPFGQZTGM-NSHDSACASA-N 2 2 302.315 3.171 20 0 DGADLP CC(C)(C)OC1CC(CC[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000432250004 526539945 /nfs/dbraw/zinc/53/99/45/526539945.db2.gz IJBSTEXODAEYII-UHFFFAOYSA-N 2 2 301.434 3.408 20 0 DGADLP c1sc(C2CC2)nc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000163277057 526630394 /nfs/dbraw/zinc/63/03/94/526630394.db2.gz NWMREBLEMZTXQZ-OAHLLOKOSA-N 2 2 301.415 3.069 20 0 DGADLP c1sc(C2CC2)nc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000163277057 526630401 /nfs/dbraw/zinc/63/04/01/526630401.db2.gz NWMREBLEMZTXQZ-OAHLLOKOSA-N 2 2 301.415 3.069 20 0 DGADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000157419558 526949603 /nfs/dbraw/zinc/94/96/03/526949603.db2.gz MQILPYDVJVQAAF-ZDUSSCGKSA-N 2 2 301.821 3.215 20 0 DGADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000157419558 526949608 /nfs/dbraw/zinc/94/96/08/526949608.db2.gz MQILPYDVJVQAAF-ZDUSSCGKSA-N 2 2 301.821 3.215 20 0 DGADLP CC(C)([NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430792278 527240552 /nfs/dbraw/zinc/24/05/52/527240552.db2.gz HPLWCAXLNHSMAK-UHFFFAOYSA-N 2 2 300.406 3.286 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000295027875 527274485 /nfs/dbraw/zinc/27/44/85/527274485.db2.gz MSBNLJHWSOCTCE-LJQANCHMSA-N 2 2 300.446 3.340 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000295027875 527274493 /nfs/dbraw/zinc/27/44/93/527274493.db2.gz MSBNLJHWSOCTCE-LJQANCHMSA-N 2 2 300.446 3.340 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912708 527275910 /nfs/dbraw/zinc/27/59/10/527275910.db2.gz ILFDPGDSGHUCGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912708 527275917 /nfs/dbraw/zinc/27/59/17/527275917.db2.gz ILFDPGDSGHUCGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000294912708 527275924 /nfs/dbraw/zinc/27/59/24/527275924.db2.gz ILFDPGDSGHUCGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000294912708 527275930 /nfs/dbraw/zinc/27/59/30/527275930.db2.gz ILFDPGDSGHUCGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000163387977 527426664 /nfs/dbraw/zinc/42/66/64/527426664.db2.gz QZJZMQOWVQYPGT-UHFFFAOYSA-N 2 2 316.474 3.209 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000309905243 527874477 /nfs/dbraw/zinc/87/44/77/527874477.db2.gz QEFISNYHAPZJES-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000309905243 527874488 /nfs/dbraw/zinc/87/44/88/527874488.db2.gz QEFISNYHAPZJES-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435623006 527922782 /nfs/dbraw/zinc/92/27/82/527922782.db2.gz BADNSZKKFPJBEO-HNNXBMFYSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435623006 527922787 /nfs/dbraw/zinc/92/27/87/527922787.db2.gz BADNSZKKFPJBEO-HNNXBMFYSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435623038 527923002 /nfs/dbraw/zinc/92/30/02/527923002.db2.gz BLGPMPKMEFZCOT-CQSZACIVSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435623038 527923008 /nfs/dbraw/zinc/92/30/08/527923008.db2.gz BLGPMPKMEFZCOT-CQSZACIVSA-N 2 2 323.868 3.051 20 0 DGADLP CC[NH+](CC)CC1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431026326 528094801 /nfs/dbraw/zinc/09/48/01/528094801.db2.gz ARWCPOLJFRLWET-UHFFFAOYSA-N 2 2 318.440 3.271 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430590132 528197616 /nfs/dbraw/zinc/19/76/16/528197616.db2.gz GZAHQTZALKQXNA-NVXWUHKLSA-N 2 2 319.493 3.442 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430590132 528197622 /nfs/dbraw/zinc/19/76/22/528197622.db2.gz GZAHQTZALKQXNA-NVXWUHKLSA-N 2 2 319.493 3.442 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078009 528265161 /nfs/dbraw/zinc/26/51/61/528265161.db2.gz AINZGAIHWWQDII-GJZGRUSLSA-N 2 2 316.493 3.358 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078009 528265166 /nfs/dbraw/zinc/26/51/66/528265166.db2.gz AINZGAIHWWQDII-GJZGRUSLSA-N 2 2 316.493 3.358 20 0 DGADLP CC(C)c1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000433770363 528292314 /nfs/dbraw/zinc/29/23/14/528292314.db2.gz DRPLWTMXJMRBQD-UONOGXRCSA-N 2 2 304.482 3.284 20 0 DGADLP CC(C)c1nc(NC2CCC([NH+]3CCC(C)CC3)CC2)cc[nH+]1 ZINC000443700425 528362989 /nfs/dbraw/zinc/36/29/89/528362989.db2.gz UOOVANRGNPZKLY-UHFFFAOYSA-N 2 2 316.493 3.477 20 0 DGADLP CCOC(CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000299271452 528435710 /nfs/dbraw/zinc/43/57/10/528435710.db2.gz UGPNFRSJGSVPDN-UHFFFAOYSA-N 2 2 317.433 3.141 20 0 DGADLP CCCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1F ZINC000431072781 528446775 /nfs/dbraw/zinc/44/67/75/528446775.db2.gz ZZICAIAYITYVBC-UHFFFAOYSA-N 2 2 320.412 3.205 20 0 DGADLP CCCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1F ZINC000431072781 528446780 /nfs/dbraw/zinc/44/67/80/528446780.db2.gz ZZICAIAYITYVBC-UHFFFAOYSA-N 2 2 320.412 3.205 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000428372568 528722554 /nfs/dbraw/zinc/72/25/54/528722554.db2.gz JHWPTDSYJVSDPL-UKRRQHHQSA-N 2 2 302.422 3.215 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000428372568 528722556 /nfs/dbraw/zinc/72/25/56/528722556.db2.gz JHWPTDSYJVSDPL-UKRRQHHQSA-N 2 2 302.422 3.215 20 0 DGADLP CCCOc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415058250 528757144 /nfs/dbraw/zinc/75/71/44/528757144.db2.gz VHLXGOWPVVMFNP-VQTJNVASSA-N 2 2 310.441 3.321 20 0 DGADLP CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435622646 528880472 /nfs/dbraw/zinc/88/04/72/528880472.db2.gz FDFZBSJWYGBDQI-QGZVFWFLSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435622646 528880474 /nfs/dbraw/zinc/88/04/74/528880474.db2.gz FDFZBSJWYGBDQI-QGZVFWFLSA-N 2 2 317.408 3.445 20 0 DGADLP CC1(C)CCCN(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000444007124 528936300 /nfs/dbraw/zinc/93/63/00/528936300.db2.gz ADAUMQSONCXRFE-UHFFFAOYSA-N 2 2 312.461 3.084 20 0 DGADLP CC1(C)CCC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415139017 528993209 /nfs/dbraw/zinc/99/32/09/528993209.db2.gz WJJCJEQOEAWDJE-GOSISDBHSA-N 3 2 315.505 3.148 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443979933 529025154 /nfs/dbraw/zinc/02/51/54/529025154.db2.gz QAMMEPKMVUOKMZ-LLVKDONJSA-N 2 2 321.412 3.372 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443979933 529025159 /nfs/dbraw/zinc/02/51/59/529025159.db2.gz QAMMEPKMVUOKMZ-LLVKDONJSA-N 2 2 321.412 3.372 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000430573510 529046173 /nfs/dbraw/zinc/04/61/73/529046173.db2.gz RJVHYFMGUHZHBN-VXGBXAGGSA-N 2 2 308.451 3.164 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000430573510 529046178 /nfs/dbraw/zinc/04/61/78/529046178.db2.gz RJVHYFMGUHZHBN-VXGBXAGGSA-N 2 2 308.451 3.164 20 0 DGADLP CC(C)[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000415082519 529121088 /nfs/dbraw/zinc/12/10/88/529121088.db2.gz OMXZQPOZKGZSLY-KRWDZBQOSA-N 2 2 306.450 3.133 20 0 DGADLP CCc1cccc(CC)c1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430562202 529164245 /nfs/dbraw/zinc/16/42/45/529164245.db2.gz PYLBGNNNHITNFZ-QGZVFWFLSA-N 2 2 319.493 3.055 20 0 DGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430562202 529164249 /nfs/dbraw/zinc/16/42/49/529164249.db2.gz PYLBGNNNHITNFZ-QGZVFWFLSA-N 2 2 319.493 3.055 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430585985 529273650 /nfs/dbraw/zinc/27/36/50/529273650.db2.gz UQKPVNUYQYAEQL-KBXCAEBGSA-N 2 2 305.466 3.102 20 0 DGADLP CC[C@H](C[NH2+]C1CC(OC(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000428269249 529360665 /nfs/dbraw/zinc/36/06/65/529360665.db2.gz UNFVIFZHTMKMTH-IOJLRTSASA-N 2 2 316.489 3.369 20 0 DGADLP CC[C@H](C[NH2+]C1CC(OC(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000428269249 529360670 /nfs/dbraw/zinc/36/06/70/529360670.db2.gz UNFVIFZHTMKMTH-IOJLRTSASA-N 2 2 316.489 3.369 20 0 DGADLP CCCC[NH+]1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455472081 535267733 /nfs/dbraw/zinc/26/77/33/535267733.db2.gz BRUYSMUHYWTEBJ-UHFFFAOYSA-N 2 2 318.465 3.393 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398483 535340592 /nfs/dbraw/zinc/34/05/92/535340592.db2.gz VEYZXGYLAFGKQP-PMACEKPBSA-N 2 2 318.505 3.224 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398483 535340597 /nfs/dbraw/zinc/34/05/97/535340597.db2.gz VEYZXGYLAFGKQP-PMACEKPBSA-N 2 2 318.505 3.224 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000469293659 535769082 /nfs/dbraw/zinc/76/90/82/535769082.db2.gz IKTSVCKUCMPZFI-OALUTQOASA-N 3 2 321.553 3.495 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000469293659 535769084 /nfs/dbraw/zinc/76/90/84/535769084.db2.gz IKTSVCKUCMPZFI-OALUTQOASA-N 3 2 321.553 3.495 20 0 DGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000453452936 535892665 /nfs/dbraw/zinc/89/26/65/535892665.db2.gz SOCJAPAUBCWHNP-RBUKOAKNSA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449635314 536011538 /nfs/dbraw/zinc/01/15/38/536011538.db2.gz BODPVWJHRVZMJY-YSHGAJCASA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449635314 536011539 /nfs/dbraw/zinc/01/15/39/536011539.db2.gz BODPVWJHRVZMJY-YSHGAJCASA-N 2 2 304.478 3.036 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000449105408 536894695 /nfs/dbraw/zinc/89/46/95/536894695.db2.gz YSFNSRVLFXVHCW-HNNXBMFYSA-N 2 2 309.413 3.471 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)c1 ZINC000449618874 536910523 /nfs/dbraw/zinc/91/05/23/536910523.db2.gz MGJZCAVOKJSLTC-FJXLLPKBSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)c1 ZINC000449618874 536910526 /nfs/dbraw/zinc/91/05/26/536910526.db2.gz MGJZCAVOKJSLTC-FJXLLPKBSA-N 2 2 300.446 3.014 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](CCCc1c[nH+]ccc1C)CCO2 ZINC000449526928 536983302 /nfs/dbraw/zinc/98/33/02/536983302.db2.gz FZDOOVKTHRRKDI-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP COc1ccc2c(c1)C[N@H+](CCCc1c[nH+]ccc1C)CCO2 ZINC000449526928 536983304 /nfs/dbraw/zinc/98/33/04/536983304.db2.gz FZDOOVKTHRRKDI-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP COc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000089512886 545816496 /nfs/dbraw/zinc/81/64/96/545816496.db2.gz KTXDLYBJNHUMNZ-MRXNPFEDSA-N 2 2 318.461 3.371 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000119495767 545879758 /nfs/dbraw/zinc/87/97/58/545879758.db2.gz XJWMPEXOHNGJFO-AEFFLSMTSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000119495767 545879762 /nfs/dbraw/zinc/87/97/62/545879762.db2.gz XJWMPEXOHNGJFO-AEFFLSMTSA-N 2 2 312.461 3.046 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000121325223 545894945 /nfs/dbraw/zinc/89/49/45/545894945.db2.gz NBTWYNZBFVMRLL-AZUAARDMSA-N 2 2 314.473 3.090 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000121325223 545894949 /nfs/dbraw/zinc/89/49/49/545894949.db2.gz NBTWYNZBFVMRLL-AZUAARDMSA-N 2 2 314.473 3.090 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134257080 545971604 /nfs/dbraw/zinc/97/16/04/545971604.db2.gz QAGUFGDJDBGKIE-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134257080 545971606 /nfs/dbraw/zinc/97/16/06/545971606.db2.gz QAGUFGDJDBGKIE-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000154158133 546015145 /nfs/dbraw/zinc/01/51/45/546015145.db2.gz KAVRRRWXBMDCPO-MAUKXSAKSA-N 2 2 302.462 3.244 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000157924320 546044954 /nfs/dbraw/zinc/04/49/54/546044954.db2.gz SMDXTVQODLOLNF-AWEZNQCLSA-N 2 2 314.433 3.239 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000163710554 546084269 /nfs/dbraw/zinc/08/42/69/546084269.db2.gz OTVMSOABKOANKQ-INIZCTEOSA-N 2 2 320.477 3.235 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000163710452 546084395 /nfs/dbraw/zinc/08/43/95/546084395.db2.gz OTVMSOABKOANKQ-MRXNPFEDSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000167882532 546097325 /nfs/dbraw/zinc/09/73/25/546097325.db2.gz QKXZJRHESULOFC-IRXDYDNUSA-N 3 2 317.521 3.436 20 0 DGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000179884885 546139204 /nfs/dbraw/zinc/13/92/04/546139204.db2.gz LITKKHRVIGGIIR-DLBZAZTESA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000179884885 546139207 /nfs/dbraw/zinc/13/92/07/546139207.db2.gz LITKKHRVIGGIIR-DLBZAZTESA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000179884885 546139209 /nfs/dbraw/zinc/13/92/09/546139209.db2.gz LITKKHRVIGGIIR-DLBZAZTESA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000179884885 546139211 /nfs/dbraw/zinc/13/92/11/546139211.db2.gz LITKKHRVIGGIIR-DLBZAZTESA-N 2 2 318.509 3.069 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000180232574 546144176 /nfs/dbraw/zinc/14/41/76/546144176.db2.gz BVIIBTRXSSICGA-NSHDSACASA-N 2 2 313.380 3.202 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000233425815 546277448 /nfs/dbraw/zinc/27/74/48/546277448.db2.gz KJDRCRCALNTVIM-CYBMUJFWSA-N 2 2 313.283 3.312 20 0 DGADLP C(c1noc2c1CCCC2)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246803589 546306414 /nfs/dbraw/zinc/30/64/14/546306414.db2.gz MYMFAYSQFHBTRF-KBXCAEBGSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246803589 546306418 /nfs/dbraw/zinc/30/64/18/546306418.db2.gz MYMFAYSQFHBTRF-KBXCAEBGSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246803589 546306423 /nfs/dbraw/zinc/30/64/23/546306423.db2.gz MYMFAYSQFHBTRF-KBXCAEBGSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246803589 546306428 /nfs/dbraw/zinc/30/64/28/546306428.db2.gz MYMFAYSQFHBTRF-KBXCAEBGSA-N 2 2 315.461 3.002 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000246856833 546306760 /nfs/dbraw/zinc/30/67/60/546306760.db2.gz QRZPXBCBTNAZSE-IKGGRYGDSA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000246856833 546306762 /nfs/dbraw/zinc/30/67/62/546306762.db2.gz QRZPXBCBTNAZSE-IKGGRYGDSA-N 2 2 306.450 3.210 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(Br)c2)CC[C@H]1[NH3+] ZINC000251655908 546329851 /nfs/dbraw/zinc/32/98/51/546329851.db2.gz GSECWGZSZRGULQ-GHMZBOCLSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(Br)c2)CC[C@H]1[NH3+] ZINC000251655908 546329853 /nfs/dbraw/zinc/32/98/53/546329853.db2.gz GSECWGZSZRGULQ-GHMZBOCLSA-N 2 2 303.269 3.070 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1[nH]cc[nH+]1)c1cccc(OC)c1 ZINC000285712571 546398615 /nfs/dbraw/zinc/39/86/15/546398615.db2.gz PPWVMSNSXIGLNO-YOEHRIQHSA-N 2 2 316.449 3.152 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220104 546401674 /nfs/dbraw/zinc/40/16/74/546401674.db2.gz SJYBRMXWRWLJOW-KBPBESRZSA-N 2 2 304.463 3.034 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220104 546401680 /nfs/dbraw/zinc/40/16/80/546401680.db2.gz SJYBRMXWRWLJOW-KBPBESRZSA-N 2 2 304.463 3.034 20 0 DGADLP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1[nH]cc[nH+]1 ZINC000286359302 546402929 /nfs/dbraw/zinc/40/29/29/546402929.db2.gz ZPLDNVZAJVRFTO-ZDUSSCGKSA-N 2 2 302.447 3.132 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218111 546415631 /nfs/dbraw/zinc/41/56/31/546415631.db2.gz QPZSBQKMDOYAKO-WMZOPIPTSA-N 2 2 312.461 3.363 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218111 546415632 /nfs/dbraw/zinc/41/56/32/546415632.db2.gz QPZSBQKMDOYAKO-WMZOPIPTSA-N 2 2 312.461 3.363 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000290537002 546416619 /nfs/dbraw/zinc/41/66/19/546416619.db2.gz YMUCTYCYQWVQKC-OYHNWAKOSA-N 2 2 316.470 3.411 20 0 DGADLP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000321190559 546470135 /nfs/dbraw/zinc/47/01/35/546470135.db2.gz UTNUQSVFSFCYRS-MRXNPFEDSA-N 3 2 312.461 3.255 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339068225 546531769 /nfs/dbraw/zinc/53/17/69/546531769.db2.gz MZOUMGDCGAALJL-IHRRRGAJSA-N 2 2 322.424 3.120 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339068225 546531774 /nfs/dbraw/zinc/53/17/74/546531774.db2.gz MZOUMGDCGAALJL-IHRRRGAJSA-N 2 2 322.424 3.120 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000339068226 546532236 /nfs/dbraw/zinc/53/22/36/546532236.db2.gz MZOUMGDCGAALJL-MJBXVCDLSA-N 2 2 322.424 3.120 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339068226 546532237 /nfs/dbraw/zinc/53/22/37/546532237.db2.gz MZOUMGDCGAALJL-MJBXVCDLSA-N 2 2 322.424 3.120 20 0 DGADLP CCCn1nccc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379641514 546735376 /nfs/dbraw/zinc/73/53/76/546735376.db2.gz YIQVEJXAEQQVFB-KRWDZBQOSA-N 2 2 314.477 3.293 20 0 DGADLP CCCn1nccc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379641514 546735382 /nfs/dbraw/zinc/73/53/82/546735382.db2.gz YIQVEJXAEQQVFB-KRWDZBQOSA-N 2 2 314.477 3.293 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052132 546765253 /nfs/dbraw/zinc/76/52/53/546765253.db2.gz WYZGRGIHTGFVDI-QUCCMNQESA-N 2 2 323.484 3.494 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052132 546765257 /nfs/dbraw/zinc/76/52/57/546765257.db2.gz WYZGRGIHTGFVDI-QUCCMNQESA-N 2 2 323.484 3.494 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@H]1c1ccccc1 ZINC000414193008 546781482 /nfs/dbraw/zinc/78/14/82/546781482.db2.gz UFKWFCWJCIUIMV-QUCCMNQESA-N 3 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@H]1c1ccccc1 ZINC000414193008 546781486 /nfs/dbraw/zinc/78/14/86/546781486.db2.gz UFKWFCWJCIUIMV-QUCCMNQESA-N 3 2 320.440 3.259 20 0 DGADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856402 546812246 /nfs/dbraw/zinc/81/22/46/546812246.db2.gz WCZLCBNAQVMVOW-FZMZJTMJSA-N 2 2 303.406 3.164 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000494501056 546935174 /nfs/dbraw/zinc/93/51/74/546935174.db2.gz GSODZYDDWPBNMX-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000494501056 546935175 /nfs/dbraw/zinc/93/51/75/546935175.db2.gz GSODZYDDWPBNMX-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000551063714 546996863 /nfs/dbraw/zinc/99/68/63/546996863.db2.gz ZGCWLPHYEDSKME-HSALFYBXSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000551063714 546996867 /nfs/dbraw/zinc/99/68/67/546996867.db2.gz ZGCWLPHYEDSKME-HSALFYBXSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559767682 547001107 /nfs/dbraw/zinc/00/11/07/547001107.db2.gz ZGCWLPHYEDSKME-AQNXPRMDSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000559767682 547001109 /nfs/dbraw/zinc/00/11/09/547001109.db2.gz ZGCWLPHYEDSKME-AQNXPRMDSA-N 2 2 310.441 3.145 20 0 DGADLP C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667488453 547200075 /nfs/dbraw/zinc/20/00/75/547200075.db2.gz FYYZJURSHLKWHJ-CYBMUJFWSA-N 2 2 310.426 3.448 20 0 DGADLP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667488453 547200080 /nfs/dbraw/zinc/20/00/80/547200080.db2.gz FYYZJURSHLKWHJ-CYBMUJFWSA-N 2 2 310.426 3.448 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1OC ZINC000667493094 547200935 /nfs/dbraw/zinc/20/09/35/547200935.db2.gz ICCMRNRZDWVTST-INIZCTEOSA-N 2 2 315.417 3.083 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1OC ZINC000667493094 547200937 /nfs/dbraw/zinc/20/09/37/547200937.db2.gz ICCMRNRZDWVTST-INIZCTEOSA-N 2 2 315.417 3.083 20 0 DGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)Cc1ccccc1C(F)(F)F ZINC000667493732 547201169 /nfs/dbraw/zinc/20/11/69/547201169.db2.gz APPWRLZTXVGVIR-UHFFFAOYSA-N 2 2 309.335 3.480 20 0 DGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)Cc1ccccc1C(F)(F)F ZINC000667493732 547201172 /nfs/dbraw/zinc/20/11/72/547201172.db2.gz APPWRLZTXVGVIR-UHFFFAOYSA-N 2 2 309.335 3.480 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000667561222 547226770 /nfs/dbraw/zinc/22/67/70/547226770.db2.gz PCWWJHVUZPVKIJ-GOSISDBHSA-N 2 2 318.509 3.237 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000667561222 547226774 /nfs/dbraw/zinc/22/67/74/547226774.db2.gz PCWWJHVUZPVKIJ-GOSISDBHSA-N 2 2 318.509 3.237 20 0 DGADLP Fc1c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cccc1OC1CC1 ZINC000667587391 547236214 /nfs/dbraw/zinc/23/62/14/547236214.db2.gz QCEXZWWDTPYVSB-OAHLLOKOSA-N 2 2 315.392 3.401 20 0 DGADLP Fc1c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cccc1OC1CC1 ZINC000667587391 547236215 /nfs/dbraw/zinc/23/62/15/547236215.db2.gz QCEXZWWDTPYVSB-OAHLLOKOSA-N 2 2 315.392 3.401 20 0 DGADLP O=C(C[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000667670537 547269053 /nfs/dbraw/zinc/26/90/53/547269053.db2.gz RVUZIVZVGGKBBP-MRXNPFEDSA-N 2 2 309.413 3.067 20 0 DGADLP O=C(C[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000667670537 547269055 /nfs/dbraw/zinc/26/90/55/547269055.db2.gz RVUZIVZVGGKBBP-MRXNPFEDSA-N 2 2 309.413 3.067 20 0 DGADLP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667680401 547271969 /nfs/dbraw/zinc/27/19/69/547271969.db2.gz GMZDFEDUXQQKHT-AWEZNQCLSA-N 2 2 304.463 3.257 20 0 DGADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667680401 547271970 /nfs/dbraw/zinc/27/19/70/547271970.db2.gz GMZDFEDUXQQKHT-AWEZNQCLSA-N 2 2 304.463 3.257 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000667689811 547274617 /nfs/dbraw/zinc/27/46/17/547274617.db2.gz IULWZBZWONSRHQ-HNAYVOBHSA-N 2 2 304.397 3.460 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000667689811 547274620 /nfs/dbraw/zinc/27/46/20/547274620.db2.gz IULWZBZWONSRHQ-HNAYVOBHSA-N 2 2 304.397 3.460 20 0 DGADLP c1csc([C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[NH+]2CCCC2)c1 ZINC000667761787 547295179 /nfs/dbraw/zinc/29/51/79/547295179.db2.gz CNIAGYHWNHUHJU-JYJNAYRXSA-N 2 2 306.475 3.042 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000667779224 547299425 /nfs/dbraw/zinc/29/94/25/547299425.db2.gz AURZXERCAQEQCE-JKSUJKDBSA-N 2 2 314.477 3.348 20 0 DGADLP c1cc(C[NH+]2CCC(c3ccncc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668156465 547397445 /nfs/dbraw/zinc/39/74/45/547397445.db2.gz QSYQZGLJYMQUTP-UHFFFAOYSA-N 2 2 319.412 3.042 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)n1C ZINC000668280845 547435021 /nfs/dbraw/zinc/43/50/21/547435021.db2.gz FKIJCBBTEOPKRL-UHFFFAOYSA-N 2 2 309.457 3.500 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000668287202 547436704 /nfs/dbraw/zinc/43/67/04/547436704.db2.gz YZAUBESBICROTK-KRWDZBQOSA-N 2 2 313.445 3.334 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000668287202 547436706 /nfs/dbraw/zinc/43/67/06/547436706.db2.gz YZAUBESBICROTK-KRWDZBQOSA-N 2 2 313.445 3.334 20 0 DGADLP CCn1c[nH+]cc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669535417 547650739 /nfs/dbraw/zinc/65/07/39/547650739.db2.gz OGYWKSVGUNKYLS-LJQANCHMSA-N 2 2 312.461 3.220 20 0 DGADLP COCCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614731 547661244 /nfs/dbraw/zinc/66/12/44/547661244.db2.gz LTBUUPIPJMZCFX-RTBURBONSA-N 2 2 320.452 3.367 20 0 DGADLP COCCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614731 547661249 /nfs/dbraw/zinc/66/12/49/547661249.db2.gz LTBUUPIPJMZCFX-RTBURBONSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986937 547767048 /nfs/dbraw/zinc/76/70/48/547767048.db2.gz ZTCYFQVEHVHBBJ-MAUKXSAKSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986937 547767051 /nfs/dbraw/zinc/76/70/51/547767051.db2.gz ZTCYFQVEHVHBBJ-MAUKXSAKSA-N 2 2 306.425 3.073 20 0 DGADLP CC(C)CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240102 547779120 /nfs/dbraw/zinc/77/91/20/547779120.db2.gz KDJDPHFIJYMYFQ-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240102 547779123 /nfs/dbraw/zinc/77/91/23/547779123.db2.gz KDJDPHFIJYMYFQ-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671240102 547779125 /nfs/dbraw/zinc/77/91/25/547779125.db2.gz KDJDPHFIJYMYFQ-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671240102 547779127 /nfs/dbraw/zinc/77/91/27/547779127.db2.gz KDJDPHFIJYMYFQ-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP CCOc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)nc1 ZINC000671739531 547821205 /nfs/dbraw/zinc/82/12/05/547821205.db2.gz VBMIGNYJEJZDCI-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)nc1 ZINC000671739531 547821208 /nfs/dbraw/zinc/82/12/08/547821208.db2.gz VBMIGNYJEJZDCI-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)nc1 ZINC000671739531 547821211 /nfs/dbraw/zinc/82/12/11/547821211.db2.gz VBMIGNYJEJZDCI-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)nc1 ZINC000671739531 547821213 /nfs/dbraw/zinc/82/12/13/547821213.db2.gz VBMIGNYJEJZDCI-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767804 547830829 /nfs/dbraw/zinc/83/08/29/547830829.db2.gz NEVUBVJSXJKTLS-HYVNUMGLSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767804 547830832 /nfs/dbraw/zinc/83/08/32/547830832.db2.gz NEVUBVJSXJKTLS-HYVNUMGLSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000672201311 547862916 /nfs/dbraw/zinc/86/29/16/547862916.db2.gz WZTYDRJYKVHDFI-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000672201311 547862919 /nfs/dbraw/zinc/86/29/19/547862919.db2.gz WZTYDRJYKVHDFI-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP CCc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc[nH+]1 ZINC000673817298 547999983 /nfs/dbraw/zinc/99/99/83/547999983.db2.gz QJMGYOJKBPSJRY-HNNXBMFYSA-N 2 2 304.825 3.407 20 0 DGADLP Cc1cccn2cc(CN3CC[N@@H+](C)CC34CCCCC4)[nH+]c12 ZINC000674231566 548047995 /nfs/dbraw/zinc/04/79/95/548047995.db2.gz GOQNNZAGMVJPOV-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2cc(CN3CC[N@H+](C)CC34CCCCC4)[nH+]c12 ZINC000674231566 548047999 /nfs/dbraw/zinc/04/79/99/548047999.db2.gz GOQNNZAGMVJPOV-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548988 548232257 /nfs/dbraw/zinc/23/22/57/548232257.db2.gz DBSIVQYZVANRQW-GOSISDBHSA-N 2 2 310.445 3.113 20 0 DGADLP Cc1nc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548988 548232260 /nfs/dbraw/zinc/23/22/60/548232260.db2.gz DBSIVQYZVANRQW-GOSISDBHSA-N 2 2 310.445 3.113 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000675767243 548267360 /nfs/dbraw/zinc/26/73/60/548267360.db2.gz RVUZNFILEQPXNL-IHRRRGAJSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000675767243 548267361 /nfs/dbraw/zinc/26/73/61/548267361.db2.gz RVUZNFILEQPXNL-IHRRRGAJSA-N 2 2 303.475 3.472 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000675901507 548288479 /nfs/dbraw/zinc/28/84/79/548288479.db2.gz HPFGLABKAMBRLW-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000675928273 548293517 /nfs/dbraw/zinc/29/35/17/548293517.db2.gz MYDQSROHNNBFGF-FUHIMQAGSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000675928273 548293524 /nfs/dbraw/zinc/29/35/24/548293524.db2.gz MYDQSROHNNBFGF-FUHIMQAGSA-N 2 2 324.472 3.080 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000675929528 548294914 /nfs/dbraw/zinc/29/49/14/548294914.db2.gz LMYGDCUERFJSAR-KRWDZBQOSA-N 2 2 308.853 3.028 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235790 548335640 /nfs/dbraw/zinc/33/56/40/548335640.db2.gz OCAWGVJLZYRFDG-SJLPKXTDSA-N 2 2 300.446 3.073 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235790 548335644 /nfs/dbraw/zinc/33/56/44/548335644.db2.gz OCAWGVJLZYRFDG-SJLPKXTDSA-N 2 2 300.446 3.073 20 0 DGADLP Cc1nc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)cs1 ZINC000676488499 548368534 /nfs/dbraw/zinc/36/85/34/548368534.db2.gz BWLBKXJTSWRIOD-LBPRGKRZSA-N 2 2 300.431 3.301 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000676572235 548382125 /nfs/dbraw/zinc/38/21/25/548382125.db2.gz RPOCWEGZSWFTTA-CABCVRRESA-N 2 2 303.381 3.059 20 0 DGADLP CCc1cc(NC2CCC([NH+]3CCC(C)CC3)CC2)nc[nH+]1 ZINC000676882237 548427600 /nfs/dbraw/zinc/42/76/00/548427600.db2.gz IHLYREYJPHITDR-UHFFFAOYSA-N 2 2 302.466 3.494 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677748981 548549428 /nfs/dbraw/zinc/54/94/28/548549428.db2.gz FKCWESGXOYSLHH-IEBWSBKVSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677748981 548549430 /nfs/dbraw/zinc/54/94/30/548549430.db2.gz FKCWESGXOYSLHH-IEBWSBKVSA-N 2 2 302.462 3.056 20 0 DGADLP CCC(O)(CC)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749554 548549453 /nfs/dbraw/zinc/54/94/53/548549453.db2.gz NEEBWDXJDTWJAY-QGZVFWFLSA-N 2 2 304.478 3.180 20 0 DGADLP CCC(O)(CC)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749554 548549455 /nfs/dbraw/zinc/54/94/55/548549455.db2.gz NEEBWDXJDTWJAY-QGZVFWFLSA-N 2 2 304.478 3.180 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000677806587 548558614 /nfs/dbraw/zinc/55/86/14/548558614.db2.gz GAUANQSAKKROMZ-SFHVURJKSA-N 2 2 322.880 3.418 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000678073258 548606975 /nfs/dbraw/zinc/60/69/75/548606975.db2.gz OWVUZPMTIBVTGY-SWLSCSKDSA-N 2 2 311.267 3.236 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000678073258 548606979 /nfs/dbraw/zinc/60/69/79/548606979.db2.gz OWVUZPMTIBVTGY-SWLSCSKDSA-N 2 2 311.267 3.236 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000678265151 548660782 /nfs/dbraw/zinc/66/07/82/548660782.db2.gz YHPOOZPCIWLQFY-RDJZCZTQSA-N 2 2 320.477 3.256 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000678265151 548660786 /nfs/dbraw/zinc/66/07/86/548660786.db2.gz YHPOOZPCIWLQFY-RDJZCZTQSA-N 2 2 320.477 3.256 20 0 DGADLP Cn1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340603 548682995 /nfs/dbraw/zinc/68/29/95/548682995.db2.gz XIUDVCDTEIFETF-HNAYVOBHSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340603 548682998 /nfs/dbraw/zinc/68/29/98/548682998.db2.gz XIUDVCDTEIFETF-HNAYVOBHSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000678340603 548683002 /nfs/dbraw/zinc/68/30/02/548683002.db2.gz XIUDVCDTEIFETF-HNAYVOBHSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccccc21 ZINC000678340603 548683005 /nfs/dbraw/zinc/68/30/05/548683005.db2.gz XIUDVCDTEIFETF-HNAYVOBHSA-N 2 2 324.472 3.022 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678500472 548717784 /nfs/dbraw/zinc/71/77/84/548717784.db2.gz RQPMEDRCICOTBJ-SFHVURJKSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678500472 548717789 /nfs/dbraw/zinc/71/77/89/548717789.db2.gz RQPMEDRCICOTBJ-SFHVURJKSA-N 2 2 318.505 3.428 20 0 DGADLP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000678605311 548738245 /nfs/dbraw/zinc/73/82/45/548738245.db2.gz CLGMORQODNEOPB-GOSISDBHSA-N 2 2 322.880 3.055 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000678883824 548787347 /nfs/dbraw/zinc/78/73/47/548787347.db2.gz WCBRDBPCWZRBIV-MOPGFXCFSA-N 2 2 313.445 3.373 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000678883824 548787348 /nfs/dbraw/zinc/78/73/48/548787348.db2.gz WCBRDBPCWZRBIV-MOPGFXCFSA-N 2 2 313.445 3.373 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000678922106 548792208 /nfs/dbraw/zinc/79/22/08/548792208.db2.gz JPDDERHVUCMJEG-INIZCTEOSA-N 2 2 315.486 3.328 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000678922106 548792210 /nfs/dbraw/zinc/79/22/10/548792210.db2.gz JPDDERHVUCMJEG-INIZCTEOSA-N 2 2 315.486 3.328 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C(C)(C)O ZINC000679014884 548812821 /nfs/dbraw/zinc/81/28/21/548812821.db2.gz BRKNRIBKZXRVEL-CYBMUJFWSA-N 2 2 310.869 3.053 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000679336281 548880409 /nfs/dbraw/zinc/88/04/09/548880409.db2.gz KWIGPRCFGWCEQN-HKUYNNGSSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000679336281 548880413 /nfs/dbraw/zinc/88/04/13/548880413.db2.gz KWIGPRCFGWCEQN-HKUYNNGSSA-N 2 2 304.478 3.182 20 0 DGADLP CC(C)c1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)on1 ZINC000679574146 548919054 /nfs/dbraw/zinc/91/90/54/548919054.db2.gz FUAIWYUNELBCAR-UHFFFAOYSA-N 2 2 319.371 3.304 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679721740 548944982 /nfs/dbraw/zinc/94/49/82/548944982.db2.gz QPMBUSXNGJWVHK-YTQUADARSA-N 2 2 311.429 3.065 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679721740 548944984 /nfs/dbraw/zinc/94/49/84/548944984.db2.gz QPMBUSXNGJWVHK-YTQUADARSA-N 2 2 311.429 3.065 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000680067060 548992148 /nfs/dbraw/zinc/99/21/48/548992148.db2.gz AXMYPIVAGDXYOM-GUDVDZBRSA-N 2 2 322.456 3.498 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000680067060 548992152 /nfs/dbraw/zinc/99/21/52/548992152.db2.gz AXMYPIVAGDXYOM-GUDVDZBRSA-N 2 2 322.456 3.498 20 0 DGADLP COC1CC[NH+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000681008140 549143742 /nfs/dbraw/zinc/14/37/42/549143742.db2.gz JEARRTRULQLFLT-UHFFFAOYSA-N 2 2 322.415 3.056 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081745 549156965 /nfs/dbraw/zinc/15/69/65/549156965.db2.gz FNCGUIAVFPZSSO-PXNSSMCTSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081745 549156969 /nfs/dbraw/zinc/15/69/69/549156969.db2.gz FNCGUIAVFPZSSO-PXNSSMCTSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000681082137 549157157 /nfs/dbraw/zinc/15/71/57/549157157.db2.gz IPWZFAZCMJJXLD-KBPBESRZSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000681082137 549157162 /nfs/dbraw/zinc/15/71/62/549157162.db2.gz IPWZFAZCMJJXLD-KBPBESRZSA-N 2 2 312.417 3.136 20 0 DGADLP COC1CC[NH+](CC[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000681119557 549164472 /nfs/dbraw/zinc/16/44/72/549164472.db2.gz BFZASTZQYZIKEG-UHFFFAOYSA-N 2 2 304.478 3.053 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000681976448 549270698 /nfs/dbraw/zinc/27/06/98/549270698.db2.gz GZBPHJLGJGXSIV-MSOLQXFVSA-N 2 2 302.462 3.023 20 0 DGADLP Fc1cc(Cl)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000682029649 549278394 /nfs/dbraw/zinc/27/83/94/549278394.db2.gz VVFKASPNPZZXKC-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134231 549294192 /nfs/dbraw/zinc/29/41/92/549294192.db2.gz WYPUFRCBNUKZLK-XLIONFOSSA-N 2 2 311.473 3.126 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134231 549294195 /nfs/dbraw/zinc/29/41/95/549294195.db2.gz WYPUFRCBNUKZLK-XLIONFOSSA-N 2 2 311.473 3.126 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000682378685 549312586 /nfs/dbraw/zinc/31/25/86/549312586.db2.gz WCMOYMREWHGITO-HLIPFELVSA-N 3 2 317.521 3.306 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000682765545 549368152 /nfs/dbraw/zinc/36/81/52/549368152.db2.gz DMOGWQILHJORPI-HKUYNNGSSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000682765545 549368156 /nfs/dbraw/zinc/36/81/56/549368156.db2.gz DMOGWQILHJORPI-HKUYNNGSSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000682765548 549369052 /nfs/dbraw/zinc/36/90/52/549369052.db2.gz DMOGWQILHJORPI-PKOBYXMFSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000682765548 549369055 /nfs/dbraw/zinc/36/90/55/549369055.db2.gz DMOGWQILHJORPI-PKOBYXMFSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000682913321 549394393 /nfs/dbraw/zinc/39/43/93/549394393.db2.gz ULJGDOMZCUDOJK-ROUUACIJSA-N 2 2 318.505 3.425 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000682913321 549394396 /nfs/dbraw/zinc/39/43/96/549394396.db2.gz ULJGDOMZCUDOJK-ROUUACIJSA-N 2 2 318.505 3.425 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000682995994 549410193 /nfs/dbraw/zinc/41/01/93/549410193.db2.gz HOINRAGAJCNTFR-LLVKDONJSA-N 2 2 310.195 3.076 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000682995994 549410194 /nfs/dbraw/zinc/41/01/94/549410194.db2.gz HOINRAGAJCNTFR-LLVKDONJSA-N 2 2 310.195 3.076 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000683019911 549416262 /nfs/dbraw/zinc/41/62/62/549416262.db2.gz XGWDAZLILCQSTB-UHFFFAOYSA-N 2 2 311.429 3.183 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000683228057 549454147 /nfs/dbraw/zinc/45/41/47/549454147.db2.gz QJZITOYNXDHEQZ-SFHVURJKSA-N 2 2 310.445 3.060 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000683228057 549454149 /nfs/dbraw/zinc/45/41/49/549454149.db2.gz QJZITOYNXDHEQZ-SFHVURJKSA-N 2 2 310.445 3.060 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000684020706 549568294 /nfs/dbraw/zinc/56/82/94/549568294.db2.gz NQUGOMHWRADOOD-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP c1cc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2cn1 ZINC000684025415 549568875 /nfs/dbraw/zinc/56/88/75/549568875.db2.gz GGBDJWAFJPMHOE-LJQANCHMSA-N 2 2 305.381 3.283 20 0 DGADLP c1cc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2cn1 ZINC000684025415 549568877 /nfs/dbraw/zinc/56/88/77/549568877.db2.gz GGBDJWAFJPMHOE-LJQANCHMSA-N 2 2 305.381 3.283 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000684371983 549621570 /nfs/dbraw/zinc/62/15/70/549621570.db2.gz UDBPCQLMQOOHED-OALUTQOASA-N 2 2 320.452 3.337 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000684391380 549627368 /nfs/dbraw/zinc/62/73/68/549627368.db2.gz SVMKVBUCMGSDQD-HUUCEWRRSA-N 2 2 301.434 3.053 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000684611353 549668251 /nfs/dbraw/zinc/66/82/51/549668251.db2.gz FXAIHXIOZIWLOB-IBGZPJMESA-N 2 2 316.489 3.500 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000684611242 549668265 /nfs/dbraw/zinc/66/82/65/549668265.db2.gz CZPDMGWSJMFRDU-GXTWGEPZSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000684611242 549668267 /nfs/dbraw/zinc/66/82/67/549668267.db2.gz CZPDMGWSJMFRDU-GXTWGEPZSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000684952973 549723956 /nfs/dbraw/zinc/72/39/56/549723956.db2.gz BKSXRWSFVLWWEL-DOMZBBRYSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000684952973 549723958 /nfs/dbraw/zinc/72/39/58/549723958.db2.gz BKSXRWSFVLWWEL-DOMZBBRYSA-N 2 2 300.368 3.320 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000685438143 549759964 /nfs/dbraw/zinc/75/99/64/549759964.db2.gz QLIDMWAOIVIOIV-GOSISDBHSA-N 2 2 322.416 3.026 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000685438143 549759967 /nfs/dbraw/zinc/75/99/67/549759967.db2.gz QLIDMWAOIVIOIV-GOSISDBHSA-N 2 2 322.416 3.026 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c[nH+]1 ZINC000685464836 549766254 /nfs/dbraw/zinc/76/62/54/549766254.db2.gz PPQUJXWONZVACG-RBUKOAKNSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c[nH+]1 ZINC000685464836 549766258 /nfs/dbraw/zinc/76/62/58/549766258.db2.gz PPQUJXWONZVACG-RBUKOAKNSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1nc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)no1 ZINC000685561336 549773748 /nfs/dbraw/zinc/77/37/48/549773748.db2.gz VVJGQWIYASBZBA-AWEZNQCLSA-N 2 2 306.454 3.027 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000685572307 549776039 /nfs/dbraw/zinc/77/60/39/549776039.db2.gz NQPJDRUGUUZNOH-UHFFFAOYSA-N 2 2 302.422 3.180 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629494 549783022 /nfs/dbraw/zinc/78/30/22/549783022.db2.gz OTXUSOAOPHDPPX-LBPRGKRZSA-N 2 2 312.804 3.258 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000685629494 549783024 /nfs/dbraw/zinc/78/30/24/549783024.db2.gz OTXUSOAOPHDPPX-LBPRGKRZSA-N 2 2 312.804 3.258 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000685852332 549800091 /nfs/dbraw/zinc/80/00/91/549800091.db2.gz VWYXIGRTMGDQGR-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000685852332 549800095 /nfs/dbraw/zinc/80/00/95/549800095.db2.gz VWYXIGRTMGDQGR-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2occc2Br)C1 ZINC000735323130 574697885 /nfs/dbraw/zinc/69/78/85/574697885.db2.gz RMGFEUVLWGXQMV-LBPRGKRZSA-N 2 2 315.255 3.252 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2occc2Br)C1 ZINC000735323130 574697888 /nfs/dbraw/zinc/69/78/88/574697888.db2.gz RMGFEUVLWGXQMV-LBPRGKRZSA-N 2 2 315.255 3.252 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cn3ccc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000738159228 574859935 /nfs/dbraw/zinc/85/99/35/574859935.db2.gz REDIFGQUOOVMDT-QGZVFWFLSA-N 2 2 307.401 3.041 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cn3ccc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000738159228 574859938 /nfs/dbraw/zinc/85/99/38/574859938.db2.gz REDIFGQUOOVMDT-QGZVFWFLSA-N 2 2 307.401 3.041 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743387418 575048242 /nfs/dbraw/zinc/04/82/42/575048242.db2.gz IVIJKUNBVZFPDD-OAHLLOKOSA-N 2 2 318.490 3.233 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743387418 575048244 /nfs/dbraw/zinc/04/82/44/575048244.db2.gz IVIJKUNBVZFPDD-OAHLLOKOSA-N 2 2 318.490 3.233 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000729681410 575260101 /nfs/dbraw/zinc/26/01/01/575260101.db2.gz ANHSFVIQPWIJRN-IBGZPJMESA-N 2 2 319.452 3.483 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000729681410 575260102 /nfs/dbraw/zinc/26/01/02/575260102.db2.gz ANHSFVIQPWIJRN-IBGZPJMESA-N 2 2 319.452 3.483 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515523 575661966 /nfs/dbraw/zinc/66/19/66/575661966.db2.gz TUSDSFRETDPWME-GDBMZVCRSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515523 575661968 /nfs/dbraw/zinc/66/19/68/575661968.db2.gz TUSDSFRETDPWME-GDBMZVCRSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000749515523 575661972 /nfs/dbraw/zinc/66/19/72/575661972.db2.gz TUSDSFRETDPWME-GDBMZVCRSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000749515523 575661976 /nfs/dbraw/zinc/66/19/76/575661976.db2.gz TUSDSFRETDPWME-GDBMZVCRSA-N 2 2 303.450 3.247 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398136408 575960700 /nfs/dbraw/zinc/96/07/00/575960700.db2.gz LDTSEFGNYDSJFJ-YLJYHZDGSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398136408 575960704 /nfs/dbraw/zinc/96/07/04/575960704.db2.gz LDTSEFGNYDSJFJ-YLJYHZDGSA-N 2 2 309.457 3.390 20 0 DGADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000806162833 617635947 /nfs/dbraw/zinc/63/59/47/617635947.db2.gz HBFIEBSAKFBTQD-SSDMNJCBSA-N 2 2 305.853 3.329 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000891568131 617838206 /nfs/dbraw/zinc/83/82/06/617838206.db2.gz NBCZYXIJMRCLFY-HIFRSBDPSA-N 2 2 315.299 3.110 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2nccc3c2CCCC3)CC1 ZINC000891743451 617887467 /nfs/dbraw/zinc/88/74/67/617887467.db2.gz QZVGEUSPJUNTSS-UHFFFAOYSA-N 2 2 301.478 3.267 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2nccc3c2CCCC3)CC1 ZINC000891743451 617887468 /nfs/dbraw/zinc/88/74/68/617887468.db2.gz QZVGEUSPJUNTSS-UHFFFAOYSA-N 2 2 301.478 3.267 20 0 DGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc2c1OCO2 ZINC000926336974 617947266 /nfs/dbraw/zinc/94/72/66/617947266.db2.gz JPMOZPVVSFKQSP-WLYUNCDWSA-N 2 2 302.418 3.083 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000892103596 617961921 /nfs/dbraw/zinc/96/19/21/617961921.db2.gz ZOYSYXGIEJORQB-SFHVURJKSA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000892103596 617961924 /nfs/dbraw/zinc/96/19/24/617961924.db2.gz ZOYSYXGIEJORQB-SFHVURJKSA-N 2 2 301.478 3.198 20 0 DGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ncccc1Cl ZINC000926451368 618023482 /nfs/dbraw/zinc/02/34/82/618023482.db2.gz ZBQNAVSRJULVDL-SMDDNHRTSA-N 2 2 304.825 3.446 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ncccc1Cl ZINC000926451367 618023667 /nfs/dbraw/zinc/02/36/67/618023667.db2.gz ZBQNAVSRJULVDL-RISCZKNCSA-N 2 2 304.825 3.446 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892516535 618095795 /nfs/dbraw/zinc/09/57/95/618095795.db2.gz DLVQOPIMSSTXGY-UHFFFAOYSA-N 2 2 309.401 3.068 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892516535 618095798 /nfs/dbraw/zinc/09/57/98/618095798.db2.gz DLVQOPIMSSTXGY-UHFFFAOYSA-N 2 2 309.401 3.068 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000926753546 618109566 /nfs/dbraw/zinc/10/95/66/618109566.db2.gz NSWGNBRVXDPRFC-IAGOWNOFSA-N 2 2 301.478 3.274 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000926753546 618109567 /nfs/dbraw/zinc/10/95/67/618109567.db2.gz NSWGNBRVXDPRFC-IAGOWNOFSA-N 2 2 301.478 3.274 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000926753548 618109632 /nfs/dbraw/zinc/10/96/32/618109632.db2.gz NSWGNBRVXDPRFC-IRXDYDNUSA-N 2 2 301.478 3.274 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000926753548 618109633 /nfs/dbraw/zinc/10/96/33/618109633.db2.gz NSWGNBRVXDPRFC-IRXDYDNUSA-N 2 2 301.478 3.274 20 0 DGADLP CCc1nnc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000892696819 618141573 /nfs/dbraw/zinc/14/15/73/618141573.db2.gz MXZOOMABNOUSML-UHFFFAOYSA-N 2 2 318.490 3.231 20 0 DGADLP CCc1nnc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000892696819 618141578 /nfs/dbraw/zinc/14/15/78/618141578.db2.gz MXZOOMABNOUSML-UHFFFAOYSA-N 2 2 318.490 3.231 20 0 DGADLP O[C@H](C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C[NH+]1CCCC1 ZINC000920094831 620782678 /nfs/dbraw/zinc/78/26/78/620782678.db2.gz ICFKXBKZXAJUFI-NRFANRHFSA-N 2 2 324.468 3.261 20 0 DGADLP O[C@H](C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C[NH+]1CCCC1 ZINC000920094831 620782681 /nfs/dbraw/zinc/78/26/81/620782681.db2.gz ICFKXBKZXAJUFI-NRFANRHFSA-N 2 2 324.468 3.261 20 0 DGADLP C[C@@]1(Br)C[C@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000892870165 618333548 /nfs/dbraw/zinc/33/35/48/618333548.db2.gz DHONCPFJSIZFSV-GXTWGEPZSA-N 2 2 312.255 3.037 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2c(cccc2O)s1 ZINC000894776208 618448409 /nfs/dbraw/zinc/44/84/09/618448409.db2.gz DBYSYAUJTBWEFM-UHFFFAOYSA-N 2 2 301.415 3.326 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2c(cccc2O)s1 ZINC000894776208 618448411 /nfs/dbraw/zinc/44/84/11/618448411.db2.gz DBYSYAUJTBWEFM-UHFFFAOYSA-N 2 2 301.415 3.326 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC(F)F ZINC000894776287 618450578 /nfs/dbraw/zinc/45/05/78/618450578.db2.gz GAYOMSPUMZYJEQ-UHFFFAOYSA-N 2 2 309.360 3.049 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1(Cl)CC1 ZINC000925591545 618502619 /nfs/dbraw/zinc/50/26/19/618502619.db2.gz QWSPBNXLEZWZNI-UONOGXRCSA-N 2 2 307.869 3.357 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893324016 618513765 /nfs/dbraw/zinc/51/37/65/618513765.db2.gz MTKSDYCQMWXABQ-UHFFFAOYSA-N 2 2 321.412 3.212 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676580 618527039 /nfs/dbraw/zinc/52/70/39/618527039.db2.gz KGRVCLLZKCWWPZ-LRDDRELGSA-N 2 2 323.362 3.321 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)sc1C ZINC000895115628 618541729 /nfs/dbraw/zinc/54/17/29/618541729.db2.gz OSRKBMXJAASEKL-SJORKVTESA-N 2 2 315.486 3.195 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sc1C ZINC000895115628 618541731 /nfs/dbraw/zinc/54/17/31/618541731.db2.gz OSRKBMXJAASEKL-SJORKVTESA-N 2 2 315.486 3.195 20 0 DGADLP Cc1cc(F)ncc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895132373 618546679 /nfs/dbraw/zinc/54/66/79/618546679.db2.gz RLISQJCFLIODQI-WKILWMFISA-N 2 2 314.408 3.201 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000893412734 618551484 /nfs/dbraw/zinc/55/14/84/618551484.db2.gz PJOZBVVIGFZGJX-NVXWUHKLSA-N 2 2 314.429 3.288 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000893412734 618551487 /nfs/dbraw/zinc/55/14/87/618551487.db2.gz PJOZBVVIGFZGJX-NVXWUHKLSA-N 2 2 314.429 3.288 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccccc1OCc1cccnc1)[NH+](C)C ZINC000895299305 618589798 /nfs/dbraw/zinc/58/97/98/618589798.db2.gz IXKWZBZQULUPJV-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP Cc1ccc([C@@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925750544 618594130 /nfs/dbraw/zinc/59/41/30/618594130.db2.gz IZPMSJSOBQARRJ-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1ccc([C@@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925750544 618594136 /nfs/dbraw/zinc/59/41/36/618594136.db2.gz IZPMSJSOBQARRJ-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925793535 618621254 /nfs/dbraw/zinc/62/12/54/618621254.db2.gz DTOCORKYIGXCOY-RDJZCZTQSA-N 2 2 320.864 3.076 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccns1 ZINC000924888558 618722804 /nfs/dbraw/zinc/72/28/04/618722804.db2.gz JUBNMYFRRUFXMU-NWDGAFQWSA-N 2 2 304.463 3.303 20 0 DGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924903169 618734006 /nfs/dbraw/zinc/73/40/06/618734006.db2.gz HFVARKQFNOTOFL-FQEVSTJZSA-N 2 2 311.473 3.165 20 0 DGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924903169 618734008 /nfs/dbraw/zinc/73/40/08/618734008.db2.gz HFVARKQFNOTOFL-FQEVSTJZSA-N 2 2 311.473 3.165 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000895827482 618834554 /nfs/dbraw/zinc/83/45/54/618834554.db2.gz LISITYPUGRCCOU-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP CO[C@@H](C[NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CCCCC1 ZINC000896716596 618949997 /nfs/dbraw/zinc/94/99/97/618949997.db2.gz KBKIRGNXFHEYOA-MOPGFXCFSA-N 2 2 319.493 3.259 20 0 DGADLP Oc1cncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000897304373 619049637 /nfs/dbraw/zinc/04/96/37/619049637.db2.gz CWHFCYVFQXGUCL-YLJYHZDGSA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000897304373 619049639 /nfs/dbraw/zinc/04/96/39/619049639.db2.gz CWHFCYVFQXGUCL-YLJYHZDGSA-N 2 2 323.440 3.245 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccnn1CC1CCC1 ZINC000925167315 619063812 /nfs/dbraw/zinc/06/38/12/619063812.db2.gz BSKBNHJUQIORRZ-HOCLYGCPSA-N 2 2 313.449 3.108 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccc(C[NH+](C)C)c1 ZINC000925170249 619064923 /nfs/dbraw/zinc/06/49/23/619064923.db2.gz LJLXJUBXDBJKFZ-CRAIPNDOSA-N 3 2 312.461 3.173 20 0 DGADLP FC(F)SCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000035054457 619104477 /nfs/dbraw/zinc/10/44/77/619104477.db2.gz PYHDSCUCBNADNR-UHFFFAOYSA-N 2 2 316.417 3.452 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000897417401 619108667 /nfs/dbraw/zinc/10/86/67/619108667.db2.gz OEIOZIVVWKLXTI-CYBMUJFWSA-N 2 2 319.474 3.373 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000898033780 619208398 /nfs/dbraw/zinc/20/83/98/619208398.db2.gz CAKBFIDYHMKPPG-FUHWJXTLSA-N 2 2 301.478 3.429 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000898033780 619208401 /nfs/dbraw/zinc/20/84/01/619208401.db2.gz CAKBFIDYHMKPPG-FUHWJXTLSA-N 2 2 301.478 3.429 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2CCOC23CCCC3)ccc1-n1cc[nH+]c1 ZINC000898113148 619215354 /nfs/dbraw/zinc/21/53/54/619215354.db2.gz UZXZAKVKSHYCGI-QGZVFWFLSA-N 2 2 315.392 3.203 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000898307512 619236031 /nfs/dbraw/zinc/23/60/31/619236031.db2.gz CXKQFFSZCZSBEJ-UHFFFAOYSA-N 2 2 318.490 3.225 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000898307512 619236033 /nfs/dbraw/zinc/23/60/33/619236033.db2.gz CXKQFFSZCZSBEJ-UHFFFAOYSA-N 2 2 318.490 3.225 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)O1 ZINC000926917766 619248867 /nfs/dbraw/zinc/24/88/67/619248867.db2.gz XKOYSXPBIBHLKP-QPSCCSFWSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)O1 ZINC000926917766 619248870 /nfs/dbraw/zinc/24/88/70/619248870.db2.gz XKOYSXPBIBHLKP-QPSCCSFWSA-N 2 2 320.399 3.093 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000841062409 619249715 /nfs/dbraw/zinc/24/97/15/619249715.db2.gz WHJSJIXPVRJBJS-JSGCOSHPSA-N 2 2 318.852 3.064 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1sc(C(C)C)nc1C)C[NH+](C)C ZINC000926966197 619253788 /nfs/dbraw/zinc/25/37/88/619253788.db2.gz VXBMJJMTYJPHCE-TZMCWYRMSA-N 2 2 313.511 3.192 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc2c1OCO2 ZINC000924731359 619270906 /nfs/dbraw/zinc/27/09/06/619270906.db2.gz UUKJAKDHHGBALJ-CZUORRHYSA-N 2 2 315.417 3.377 20 0 DGADLP [NH3+][C@H]1CCc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc2C1 ZINC000899322748 619325808 /nfs/dbraw/zinc/32/58/08/619325808.db2.gz JSDULOWLAACTPA-FQEVSTJZSA-N 2 2 303.409 3.414 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000902315519 619617940 /nfs/dbraw/zinc/61/79/40/619617940.db2.gz MLZUZEWKGWUHLX-GFCCVEGCSA-N 2 2 305.447 3.271 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2cc(Br)ccc2o1 ZINC000902412484 619628887 /nfs/dbraw/zinc/62/88/87/619628887.db2.gz AQEPODXFUDDEMJ-SECBINFHSA-N 2 2 309.207 3.337 20 0 DGADLP CCc1nc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)co1 ZINC000902389358 619630083 /nfs/dbraw/zinc/63/00/83/619630083.db2.gz WHFFRZHVOYOFRW-MRXNPFEDSA-N 2 2 323.387 3.475 20 0 DGADLP CCn1ccc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)n1 ZINC000902390364 619630213 /nfs/dbraw/zinc/63/02/13/619630213.db2.gz LAHZYIXDSSAELV-QGZVFWFLSA-N 2 2 322.403 3.141 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902437031 619635826 /nfs/dbraw/zinc/63/58/26/619635826.db2.gz GQPWDPDDZYGZEL-RYMBOPBQSA-N 2 2 310.441 3.402 20 0 DGADLP Brc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902479087 619639285 /nfs/dbraw/zinc/63/92/85/619639285.db2.gz ZZDPHHDSVKSEIZ-QXSJWSMHSA-N 2 2 321.262 3.383 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc2c(c1)OCCCO2 ZINC000902483890 619645527 /nfs/dbraw/zinc/64/55/27/619645527.db2.gz SLBCEYDOURTLGD-HOCLYGCPSA-N 2 2 304.434 3.031 20 0 DGADLP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000902736585 619667759 /nfs/dbraw/zinc/66/77/59/619667759.db2.gz IKSAAVAJUAMMDT-MOPGFXCFSA-N 2 2 313.445 3.369 20 0 DGADLP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902791085 619676920 /nfs/dbraw/zinc/67/69/20/619676920.db2.gz SYQXYAWDASUPDG-INIZCTEOSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902826175 619679922 /nfs/dbraw/zinc/67/99/22/619679922.db2.gz DBXJAMXOPHVHBF-INIZCTEOSA-N 2 2 313.445 3.466 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902826777 619680032 /nfs/dbraw/zinc/68/00/32/619680032.db2.gz WKAHTPAGOGODJI-HOTGVXAUSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902810507 619680618 /nfs/dbraw/zinc/68/06/18/619680618.db2.gz VRSXUPLNNZTQCY-RCDICMHDSA-N 2 2 319.474 3.070 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1COc2ccccc2C1 ZINC000902835781 619682270 /nfs/dbraw/zinc/68/22/70/619682270.db2.gz OXPRUNLMYDSVHW-NVXWUHKLSA-N 2 2 311.429 3.113 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902873385 619685138 /nfs/dbraw/zinc/68/51/38/619685138.db2.gz ZNXZQCOJLOFLIP-HUUCEWRRSA-N 2 2 301.434 3.320 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000902992480 619700417 /nfs/dbraw/zinc/70/04/17/619700417.db2.gz KVYZULXQPDPIRM-YEWDVWPNSA-N 2 2 311.429 3.189 20 0 DGADLP Cc1cccnc1CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903008525 619704265 /nfs/dbraw/zinc/70/42/65/619704265.db2.gz QAIFVHWOAMLYKE-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038114 619705460 /nfs/dbraw/zinc/70/54/60/619705460.db2.gz HGFUMRCXVUVOSE-RLFYNMQTSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCOCC1 ZINC000903070865 619715195 /nfs/dbraw/zinc/71/51/95/619715195.db2.gz YKHMKNOZGHPFFI-MOPGFXCFSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCOCC1 ZINC000903070865 619715197 /nfs/dbraw/zinc/71/51/97/619715197.db2.gz YKHMKNOZGHPFFI-MOPGFXCFSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162441 619727544 /nfs/dbraw/zinc/72/75/44/619727544.db2.gz GKTNPXFAYSFJOP-JYBIWHBTSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162441 619727545 /nfs/dbraw/zinc/72/75/45/619727545.db2.gz GKTNPXFAYSFJOP-JYBIWHBTSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243713 619743438 /nfs/dbraw/zinc/74/34/38/619743438.db2.gz IAYJQBGWMKAUCZ-CRAIPNDOSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243713 619743440 /nfs/dbraw/zinc/74/34/40/619743440.db2.gz IAYJQBGWMKAUCZ-CRAIPNDOSA-N 2 2 301.478 3.318 20 0 DGADLP c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]c(C2CC2)c1 ZINC000903266867 619748746 /nfs/dbraw/zinc/74/87/46/619748746.db2.gz BFXCVRHSKJADJX-INIZCTEOSA-N 2 2 301.434 3.014 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000903343691 619760739 /nfs/dbraw/zinc/76/07/39/619760739.db2.gz JNKYDLDKDBAAMF-AEFFLSMTSA-N 2 2 301.478 3.114 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000903343691 619760741 /nfs/dbraw/zinc/76/07/41/619760741.db2.gz JNKYDLDKDBAAMF-AEFFLSMTSA-N 2 2 301.478 3.114 20 0 DGADLP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376864 619767770 /nfs/dbraw/zinc/76/77/70/619767770.db2.gz HYRBORXQIHEQBQ-KSZLIROESA-N 2 2 305.466 3.012 20 0 DGADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903384695 619769592 /nfs/dbraw/zinc/76/95/92/619769592.db2.gz SQTSQDNJVUUGNU-YJBOKZPZSA-N 2 2 301.434 3.278 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1C ZINC000903465557 619781363 /nfs/dbraw/zinc/78/13/63/619781363.db2.gz JZNDSODGIHGBFK-KRWDZBQOSA-N 2 2 300.446 3.189 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000903570289 619784335 /nfs/dbraw/zinc/78/43/35/619784335.db2.gz YRUSVUGCBQMBSJ-OLZOCXBDSA-N 2 2 301.459 3.116 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000903570289 619784337 /nfs/dbraw/zinc/78/43/37/619784337.db2.gz YRUSVUGCBQMBSJ-OLZOCXBDSA-N 2 2 301.459 3.116 20 0 DGADLP c1ccc([C@@H]2CCC[C@@H](C[N@@H+]3CCC[C@@]34CC[NH2+]C4)O2)cc1 ZINC000903870942 619827419 /nfs/dbraw/zinc/82/74/19/619827419.db2.gz PXENYFUODFAWIP-FHWLQOOXSA-N 2 2 300.446 3.125 20 0 DGADLP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCC[C@@]34CC[NH2+]C4)O2)cc1 ZINC000903870942 619827421 /nfs/dbraw/zinc/82/74/21/619827421.db2.gz PXENYFUODFAWIP-FHWLQOOXSA-N 2 2 300.446 3.125 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903191 619832005 /nfs/dbraw/zinc/83/20/05/619832005.db2.gz SJKQSTDDCCKRFX-YPMHNXCESA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903191 619832008 /nfs/dbraw/zinc/83/20/08/619832008.db2.gz SJKQSTDDCCKRFX-YPMHNXCESA-N 2 2 322.321 3.477 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1OC(F)F ZINC000903923312 619835129 /nfs/dbraw/zinc/83/51/29/619835129.db2.gz QGZRLFNWSXLBBC-GXSJLCMTSA-N 2 2 308.319 3.311 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959729 619839608 /nfs/dbraw/zinc/83/96/08/619839608.db2.gz NBHRFNGRUUIQIZ-IBGZPJMESA-N 2 2 312.461 3.022 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959729 619839611 /nfs/dbraw/zinc/83/96/11/619839611.db2.gz NBHRFNGRUUIQIZ-IBGZPJMESA-N 2 2 312.461 3.022 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000903955876 619846490 /nfs/dbraw/zinc/84/64/90/619846490.db2.gz BPEDCWQLJHUSKE-MRVPVSSYSA-N 2 2 315.216 3.389 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000903955124 619846676 /nfs/dbraw/zinc/84/66/76/619846676.db2.gz KYNQQKWDWQZZLU-GFCCVEGCSA-N 2 2 315.433 3.135 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000903954214 619846691 /nfs/dbraw/zinc/84/66/91/619846691.db2.gz ANJJYWYJNWSCGX-SNVBAGLBSA-N 2 2 309.187 3.328 20 0 DGADLP CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCC1 ZINC000905855399 620038108 /nfs/dbraw/zinc/03/81/08/620038108.db2.gz QFQIIEQMTQLENT-UHFFFAOYSA-N 2 2 312.417 3.075 20 0 DGADLP c1ccc(CC[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000914877113 620558880 /nfs/dbraw/zinc/55/88/80/620558880.db2.gz OSJSXJGSXVFSIK-UHFFFAOYSA-N 2 2 323.484 3.031 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)cc2)c[nH+]1 ZINC000921603709 620912888 /nfs/dbraw/zinc/91/28/88/620912888.db2.gz KZKSKAWBBWHVMR-RCCFBDPRSA-N 2 2 311.429 3.167 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2)c[nH+]1 ZINC000921604694 620912962 /nfs/dbraw/zinc/91/29/62/620912962.db2.gz VLHGWMIPLPEKJM-UHFFFAOYSA-N 2 2 307.401 3.084 20 0 DGADLP Clc1n[nH]c(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000922269524 621015453 /nfs/dbraw/zinc/01/54/53/621015453.db2.gz OHPUDHUUUXAKHW-ZDUSSCGKSA-N 2 2 322.884 3.152 20 0 DGADLP Clc1n[nH]c(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000922269524 621015456 /nfs/dbraw/zinc/01/54/56/621015456.db2.gz OHPUDHUUUXAKHW-ZDUSSCGKSA-N 2 2 322.884 3.152 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2cnn(C3CCC3)c2)c2ccccc2)c[nH+]1 ZINC000922334628 621026317 /nfs/dbraw/zinc/02/63/17/621026317.db2.gz DMUCNEQTOKBFKK-IBGZPJMESA-N 2 2 321.428 3.336 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC(C)(C)C)CCOCC1 ZINC000922746889 621092787 /nfs/dbraw/zinc/09/27/87/621092787.db2.gz VNIRTPXLGQGHQC-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC(C)(C)C)CCOCC1 ZINC000922746889 621092790 /nfs/dbraw/zinc/09/27/90/621092790.db2.gz VNIRTPXLGQGHQC-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP FC1(F)[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@@H]1c1ccccc1 ZINC000922774792 621096993 /nfs/dbraw/zinc/09/69/93/621096993.db2.gz GCEMKQVPIUZMKO-RDJZCZTQSA-N 2 2 313.351 3.473 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)c2)c[nH+]1 ZINC000922894743 621122054 /nfs/dbraw/zinc/12/20/54/621122054.db2.gz AFHGIQWCHHNNDL-RHSMWYFYSA-N 2 2 317.458 3.229 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857872275 621126086 /nfs/dbraw/zinc/12/60/86/621126086.db2.gz JUNYYPPXLDLAAF-KRWDZBQOSA-N 2 2 304.482 3.421 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857872275 621126087 /nfs/dbraw/zinc/12/60/87/621126087.db2.gz JUNYYPPXLDLAAF-KRWDZBQOSA-N 2 2 304.482 3.421 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857872275 621126093 /nfs/dbraw/zinc/12/60/93/621126093.db2.gz JUNYYPPXLDLAAF-KRWDZBQOSA-N 2 2 304.482 3.421 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857872275 621126095 /nfs/dbraw/zinc/12/60/95/621126095.db2.gz JUNYYPPXLDLAAF-KRWDZBQOSA-N 2 2 304.482 3.421 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922955213 621137738 /nfs/dbraw/zinc/13/77/38/621137738.db2.gz YMBHELRPEZYSON-RDTXWAMCSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922955213 621137741 /nfs/dbraw/zinc/13/77/41/621137741.db2.gz YMBHELRPEZYSON-RDTXWAMCSA-N 2 2 322.880 3.114 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051702 621148978 /nfs/dbraw/zinc/14/89/78/621148978.db2.gz MKONNKJNCPQJGN-GOSISDBHSA-N 2 2 317.477 3.144 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051702 621148980 /nfs/dbraw/zinc/14/89/80/621148980.db2.gz MKONNKJNCPQJGN-GOSISDBHSA-N 2 2 317.477 3.144 20 0 DGADLP CC1(C)Cc2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)sc2C(C)(C)C1 ZINC000923280209 621171653 /nfs/dbraw/zinc/17/16/53/621171653.db2.gz FPPUTQKORGILCD-GFCCVEGCSA-N 2 2 307.507 3.174 20 0 DGADLP CC1(C)Cc2nc(C[N@H+]3CC[C@H](C[NH3+])C3)sc2C(C)(C)C1 ZINC000923280209 621171654 /nfs/dbraw/zinc/17/16/54/621171654.db2.gz FPPUTQKORGILCD-GFCCVEGCSA-N 2 2 307.507 3.174 20 0 DGADLP C[N@H+](CCC[NH2+]C1CC1)Cc1ccc(Br)s1 ZINC000923296902 621173058 /nfs/dbraw/zinc/17/30/58/621173058.db2.gz BKZSEELJUZCLGG-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP C[N@@H+](CCC[NH2+]C1CC1)Cc1ccc(Br)s1 ZINC000923296902 621173060 /nfs/dbraw/zinc/17/30/60/621173060.db2.gz BKZSEELJUZCLGG-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP Cc1ccc(C(=O)C2CC[NH+](CCC[NH2+]C3CC3)CC2)c(C)c1 ZINC000923306354 621174398 /nfs/dbraw/zinc/17/43/98/621174398.db2.gz QCYWHFRFOYNEQQ-UHFFFAOYSA-N 2 2 314.473 3.340 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1O ZINC000756099744 621615024 /nfs/dbraw/zinc/61/50/24/621615024.db2.gz TUYXTGXAHADREU-HZPDHXFCSA-N 2 2 320.477 3.186 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925666 621673245 /nfs/dbraw/zinc/67/32/45/621673245.db2.gz FTXUSEZJCCELFR-UAGQMJEPSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925666 621673247 /nfs/dbraw/zinc/67/32/47/621673247.db2.gz FTXUSEZJCCELFR-UAGQMJEPSA-N 2 2 320.502 3.312 20 0 DGADLP C[N@H+](CCO[NH+]=C(N)CCC(F)(F)F)Cc1ccc(F)cc1 ZINC000863490115 621678005 /nfs/dbraw/zinc/67/80/05/621678005.db2.gz FULIWSTWQTWERU-UHFFFAOYSA-N 2 2 321.318 3.098 20 0 DGADLP C[N@@H+](CCO[NH+]=C(N)CCC(F)(F)F)Cc1ccc(F)cc1 ZINC000863490115 621678007 /nfs/dbraw/zinc/67/80/07/621678007.db2.gz FULIWSTWQTWERU-UHFFFAOYSA-N 2 2 321.318 3.098 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000119692918 621716881 /nfs/dbraw/zinc/71/68/81/621716881.db2.gz JNPPOMSYLOAYIQ-UHFFFAOYSA-N 3 2 319.537 3.248 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848276 621896644 /nfs/dbraw/zinc/89/66/44/621896644.db2.gz AKVYEHIGHCEQTN-WFASDCNBSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848276 621896647 /nfs/dbraw/zinc/89/66/47/621896647.db2.gz AKVYEHIGHCEQTN-WFASDCNBSA-N 2 2 323.799 3.115 20 0 DGADLP Fc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OC(F)(F)F ZINC000865399766 621909326 /nfs/dbraw/zinc/90/93/26/621909326.db2.gz WRRMIZYLQGEDNK-UHFFFAOYSA-N 2 2 317.286 3.101 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@@H](C)C1 ZINC000865478861 621930916 /nfs/dbraw/zinc/93/09/16/621930916.db2.gz QLKLVKCEYLWBSD-XHDPSFHLSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@@H](C)C1 ZINC000865478861 621930917 /nfs/dbraw/zinc/93/09/17/621930917.db2.gz QLKLVKCEYLWBSD-XHDPSFHLSA-N 2 2 316.367 3.247 20 0 DGADLP Fc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cnc1Cl ZINC000865483361 621932216 /nfs/dbraw/zinc/93/22/16/621932216.db2.gz IMXKWOMYVUPUNE-UHFFFAOYSA-N 2 2 311.832 3.371 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C(C)(C)C ZINC000865573450 621954674 /nfs/dbraw/zinc/95/46/74/621954674.db2.gz HBHIJZDOLVOAHI-AWEZNQCLSA-N 2 2 313.445 3.363 20 0 DGADLP COC(C)(C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000865755434 621989301 /nfs/dbraw/zinc/98/93/01/621989301.db2.gz VVYHXKWPSPHVFU-UHFFFAOYSA-N 2 2 319.493 3.126 20 0 DGADLP CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000865807214 621999047 /nfs/dbraw/zinc/99/90/47/621999047.db2.gz PJSIZKLTVFPBTJ-FQEVSTJZSA-N 2 2 318.424 3.149 20 0 DGADLP c1cn(CC[NH2+][C@H](CCc2ccccc2)c2ccccn2)c[nH+]1 ZINC000866214976 622067848 /nfs/dbraw/zinc/06/78/48/622067848.db2.gz GMVBXRZFXGWWQR-LJQANCHMSA-N 2 2 306.413 3.242 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866230094 622070798 /nfs/dbraw/zinc/07/07/98/622070798.db2.gz XBEVVJMVDSZJDH-MNOVXSKESA-N 2 2 304.781 3.417 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H](C2CCC2)[C@H]2CCCO2)[nH+]c1 ZINC000866256733 622077551 /nfs/dbraw/zinc/07/75/51/622077551.db2.gz PHLJGWPKHRZWIF-SJLPKXTDSA-N 2 2 303.450 3.211 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866483605 622125230 /nfs/dbraw/zinc/12/52/30/622125230.db2.gz KHHPZQRTTGKMBT-GDBMZVCRSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866483605 622125233 /nfs/dbraw/zinc/12/52/33/622125233.db2.gz KHHPZQRTTGKMBT-GDBMZVCRSA-N 2 2 318.461 3.214 20 0 DGADLP C[NH+](C)C1(C)CCC([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000866518351 622131418 /nfs/dbraw/zinc/13/14/18/622131418.db2.gz XVWBLYMJFLIERM-UPTPFMHGSA-N 2 2 319.497 3.279 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866635719 622151323 /nfs/dbraw/zinc/15/13/23/622151323.db2.gz CXYRFIKGCZKWGY-BEFAXECRSA-N 2 2 313.445 3.464 20 0 DGADLP C[NH2+]CCC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000866660802 622153858 /nfs/dbraw/zinc/15/38/58/622153858.db2.gz MAJUILYAUXIWDM-UHFFFAOYSA-N 2 2 302.249 3.210 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000866706571 622158996 /nfs/dbraw/zinc/15/89/96/622158996.db2.gz IPEBBZPGKXBWCC-OAHLLOKOSA-N 2 2 315.383 3.297 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000866706571 622158997 /nfs/dbraw/zinc/15/89/97/622158997.db2.gz IPEBBZPGKXBWCC-OAHLLOKOSA-N 2 2 315.383 3.297 20 0 DGADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000765255176 622254485 /nfs/dbraw/zinc/25/44/85/622254485.db2.gz PTVUSUHZXDZMRL-ZBFHGGJFSA-N 2 2 303.454 3.426 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000765360952 622260915 /nfs/dbraw/zinc/26/09/15/622260915.db2.gz XHVXKMYYOGOVLI-CYBMUJFWSA-N 2 2 307.401 3.130 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000765908085 622293551 /nfs/dbraw/zinc/29/35/51/622293551.db2.gz XLBXEENZMIXJAB-SJLPKXTDSA-N 2 2 304.478 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000765908085 622293554 /nfs/dbraw/zinc/29/35/54/622293554.db2.gz XLBXEENZMIXJAB-SJLPKXTDSA-N 2 2 304.478 3.480 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000765976855 622297903 /nfs/dbraw/zinc/29/79/03/622297903.db2.gz OIIYWLPXPGJLBF-ZBFHGGJFSA-N 2 2 306.425 3.120 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000765976952 622297996 /nfs/dbraw/zinc/29/79/96/622297996.db2.gz OQCLMBMUTGFKKA-XJKSGUPXSA-N 2 2 323.506 3.054 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1F ZINC000765976847 622298184 /nfs/dbraw/zinc/29/81/84/622298184.db2.gz OIIYWLPXPGJLBF-GDBMZVCRSA-N 2 2 306.425 3.120 20 0 DGADLP Fc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000789769882 625563791 /nfs/dbraw/zinc/56/37/91/625563791.db2.gz SAGFZUGWEBJVAL-UHFFFAOYSA-N 2 2 314.408 3.133 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000123097780 622463485 /nfs/dbraw/zinc/46/34/85/622463485.db2.gz XBWGPKMPGYULEQ-RDJZCZTQSA-N 2 2 322.493 3.201 20 0 DGADLP C[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000768586723 622466205 /nfs/dbraw/zinc/46/62/05/622466205.db2.gz BUGKCCVUORPHAI-KLAILNCOSA-N 2 2 324.509 3.351 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874825 622570700 /nfs/dbraw/zinc/57/07/00/622570700.db2.gz MMXDIFIMADNSDI-DNVCBOLYSA-N 2 2 314.473 3.463 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874825 622570703 /nfs/dbraw/zinc/57/07/03/622570703.db2.gz MMXDIFIMADNSDI-DNVCBOLYSA-N 2 2 314.473 3.463 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086994 622797520 /nfs/dbraw/zinc/79/75/20/622797520.db2.gz DFUNSAJJSIYPAP-ZFWWWQNUSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086994 622797523 /nfs/dbraw/zinc/79/75/23/622797523.db2.gz DFUNSAJJSIYPAP-ZFWWWQNUSA-N 2 2 306.425 3.304 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000872145749 622833551 /nfs/dbraw/zinc/83/35/51/622833551.db2.gz XDACVCVEDOPMPO-IBGZPJMESA-N 2 2 319.493 3.386 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000872145749 622833558 /nfs/dbraw/zinc/83/35/58/622833558.db2.gz XDACVCVEDOPMPO-IBGZPJMESA-N 2 2 319.493 3.386 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089469 622982128 /nfs/dbraw/zinc/98/21/28/622982128.db2.gz QYTBUWJNXHZXMD-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089469 622982132 /nfs/dbraw/zinc/98/21/32/622982132.db2.gz QYTBUWJNXHZXMD-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP FC(F)(F)COc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229730 623082422 /nfs/dbraw/zinc/08/24/22/623082422.db2.gz FFWYOYMAKRANMS-CABCVRRESA-N 2 2 314.351 3.002 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC000873238407 623086911 /nfs/dbraw/zinc/08/69/11/623086911.db2.gz ZNUISSPOEJDLEY-CXAGYDPISA-N 2 2 303.450 3.074 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)o1 ZINC000774184855 623117206 /nfs/dbraw/zinc/11/72/06/623117206.db2.gz DNLRTMNSFVDIAK-PBHICJAKSA-N 2 2 306.450 3.190 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000775189155 623240128 /nfs/dbraw/zinc/24/01/28/623240128.db2.gz CCIABLAMIXDXFF-LLVKDONJSA-N 2 2 324.222 3.155 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000775189155 623240134 /nfs/dbraw/zinc/24/01/34/623240134.db2.gz CCIABLAMIXDXFF-LLVKDONJSA-N 2 2 324.222 3.155 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[N@@H+]1CCCC[C@H]1C ZINC000775370322 623261090 /nfs/dbraw/zinc/26/10/90/623261090.db2.gz LCTQNWLUYOWDFY-SUJAAXHWSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[N@H+]1CCCC[C@H]1C ZINC000775370322 623261094 /nfs/dbraw/zinc/26/10/94/623261094.db2.gz LCTQNWLUYOWDFY-SUJAAXHWSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cn1 ZINC000775503394 623281430 /nfs/dbraw/zinc/28/14/30/623281430.db2.gz HQAWPQUHLOAAAR-CJNGLKHVSA-N 2 2 323.868 3.029 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@H]1OC ZINC000776156949 623384715 /nfs/dbraw/zinc/38/47/15/623384715.db2.gz OMLWXYHNNJJVSN-OWCLPIDISA-N 2 2 307.482 3.481 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([NH+](C)C)cc2)[C@H](C)C1 ZINC000777602588 623547310 /nfs/dbraw/zinc/54/73/10/623547310.db2.gz SJSSHFMVURMAMK-VQIMIIECSA-N 2 2 319.493 3.302 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2ccc([NH+](C)C)cc2)[C@H](C)C1 ZINC000777602588 623547315 /nfs/dbraw/zinc/54/73/15/623547315.db2.gz SJSSHFMVURMAMK-VQIMIIECSA-N 2 2 319.493 3.302 20 0 DGADLP CC(C)(CNc1ccc([NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000876819352 623717186 /nfs/dbraw/zinc/71/71/86/623717186.db2.gz GZXUUBCZGDJUNZ-UHFFFAOYSA-N 2 2 317.477 3.200 20 0 DGADLP CN(c1ccc([NH2+]CCC[C@H]2CCO2)cc1)C1CC[NH+](C)CC1 ZINC000876824717 623719989 /nfs/dbraw/zinc/71/99/89/623719989.db2.gz RLLMMSQMEJVHKG-IBGZPJMESA-N 2 2 317.477 3.198 20 0 DGADLP CN(c1ccc([NH2+]CCC[C@@H]2CCO2)cc1)C1CC[NH+](C)CC1 ZINC000876824718 623720303 /nfs/dbraw/zinc/72/03/03/623720303.db2.gz RLLMMSQMEJVHKG-LJQANCHMSA-N 2 2 317.477 3.198 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000876927343 623745754 /nfs/dbraw/zinc/74/57/54/623745754.db2.gz ZJMQCMPCFFXUTJ-SIFCLUCFSA-N 2 2 304.415 3.173 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877034080 623771331 /nfs/dbraw/zinc/77/13/31/623771331.db2.gz XMKXLMXHVXCAFG-FXAWDEMLSA-N 2 2 324.472 3.430 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877034080 623771335 /nfs/dbraw/zinc/77/13/35/623771335.db2.gz XMKXLMXHVXCAFG-FXAWDEMLSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000877075505 623784871 /nfs/dbraw/zinc/78/48/71/623784871.db2.gz DVSFGAXVZVMMJJ-WMZOPIPTSA-N 2 2 322.518 3.009 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000877619412 623964591 /nfs/dbraw/zinc/96/45/91/623964591.db2.gz YIUKJHCHHXWSLJ-YJXLLHPSSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000877619412 623964599 /nfs/dbraw/zinc/96/45/99/623964599.db2.gz YIUKJHCHHXWSLJ-YJXLLHPSSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000877631112 623970779 /nfs/dbraw/zinc/97/07/79/623970779.db2.gz FGZAZCZHFVPPCI-MRUHUIDDSA-N 2 2 318.442 3.419 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000877673639 623986846 /nfs/dbraw/zinc/98/68/46/623986846.db2.gz IXDXCHKIQOISLL-UHFFFAOYSA-N 2 2 300.446 3.167 20 0 DGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000877684957 623992160 /nfs/dbraw/zinc/99/21/60/623992160.db2.gz FUEJRPICIPGGKJ-UHFFFAOYSA-N 3 2 324.472 3.180 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cc2s1 ZINC000877742403 624015004 /nfs/dbraw/zinc/01/50/04/624015004.db2.gz PBFJHDMZWWNZDA-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)cc2s1 ZINC000877742403 624015006 /nfs/dbraw/zinc/01/50/06/624015006.db2.gz PBFJHDMZWWNZDA-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)cc2s1 ZINC000877742403 624015008 /nfs/dbraw/zinc/01/50/08/624015008.db2.gz PBFJHDMZWWNZDA-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)cc2s1 ZINC000877742403 624015013 /nfs/dbraw/zinc/01/50/13/624015013.db2.gz PBFJHDMZWWNZDA-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000781894211 624165473 /nfs/dbraw/zinc/16/54/73/624165473.db2.gz FLTRWWUXXIUFHJ-PBPGXSGUSA-N 2 2 318.505 3.480 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@H]3CCC4(CCC4)O3)CC2)c[nH+]1 ZINC000878402042 624267881 /nfs/dbraw/zinc/26/78/81/624267881.db2.gz BPWGOPIOWHSHTN-GOSISDBHSA-N 2 2 317.477 3.477 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878512555 624295243 /nfs/dbraw/zinc/29/52/43/624295243.db2.gz PMYBJKFQHZRDEH-UHFFFAOYSA-N 2 2 316.449 3.225 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878512555 624295246 /nfs/dbraw/zinc/29/52/46/624295246.db2.gz PMYBJKFQHZRDEH-UHFFFAOYSA-N 2 2 316.449 3.225 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)nc1Cl ZINC000878518672 624296708 /nfs/dbraw/zinc/29/67/08/624296708.db2.gz OQHARQXXEVZDQV-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)nc1Cl ZINC000878518672 624296709 /nfs/dbraw/zinc/29/67/09/624296709.db2.gz OQHARQXXEVZDQV-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878522987 624297890 /nfs/dbraw/zinc/29/78/90/624297890.db2.gz UZTQSTGFGMCVFC-KRWDZBQOSA-N 2 2 318.461 3.438 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000783517647 624360688 /nfs/dbraw/zinc/36/06/88/624360688.db2.gz HBTYMVOAWUYUJH-PBHICJAKSA-N 2 2 305.491 3.092 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000879208956 624451817 /nfs/dbraw/zinc/45/18/17/624451817.db2.gz FOBDTYGKQYHCTL-UHFFFAOYSA-N 2 2 314.433 3.063 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580287 624597808 /nfs/dbraw/zinc/59/78/08/624597808.db2.gz SGGROWDIOSESPB-IUODEOHRSA-N 2 2 312.429 3.083 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580287 624597814 /nfs/dbraw/zinc/59/78/14/624597814.db2.gz SGGROWDIOSESPB-IUODEOHRSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580287 624597816 /nfs/dbraw/zinc/59/78/16/624597816.db2.gz SGGROWDIOSESPB-IUODEOHRSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580287 624597823 /nfs/dbraw/zinc/59/78/23/624597823.db2.gz SGGROWDIOSESPB-IUODEOHRSA-N 2 2 312.429 3.083 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140222 624804056 /nfs/dbraw/zinc/80/40/56/624804056.db2.gz GGLZODGANVQWTF-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140222 624804064 /nfs/dbraw/zinc/80/40/64/624804064.db2.gz GGLZODGANVQWTF-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140222 624804073 /nfs/dbraw/zinc/80/40/73/624804073.db2.gz GGLZODGANVQWTF-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140222 624804082 /nfs/dbraw/zinc/80/40/82/624804082.db2.gz GGLZODGANVQWTF-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP O[C@H]1C[C@]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)(c2ccccc2)C1 ZINC000880223040 624850893 /nfs/dbraw/zinc/85/08/93/624850893.db2.gz PZLRAEDPVOPBRQ-BGYRXZFFSA-N 2 2 319.408 3.012 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000880254728 624871527 /nfs/dbraw/zinc/87/15/27/624871527.db2.gz MDFPVBHXNYUABE-HNNXBMFYSA-N 2 2 316.436 3.141 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCOC1 ZINC000880469304 624963400 /nfs/dbraw/zinc/96/34/00/624963400.db2.gz JOZFVLIBWUWLBY-MJGOQNOKSA-N 2 2 313.445 3.476 20 0 DGADLP CSc1ccc(OCC[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880472807 624964491 /nfs/dbraw/zinc/96/44/91/624964491.db2.gz DKBXJNHFIFJCDP-UHFFFAOYSA-N 2 2 320.502 3.348 20 0 DGADLP CC(C)(C)n1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000880568798 624978921 /nfs/dbraw/zinc/97/89/21/624978921.db2.gz CZTCAQCHMGIADU-GOSISDBHSA-N 2 2 323.444 3.366 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000787505240 625015472 /nfs/dbraw/zinc/01/54/72/625015472.db2.gz DQFDCBZQRDGAGS-UHFFFAOYSA-N 2 2 322.412 3.428 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nccn1-c1ccccc1 ZINC000790954435 625721651 /nfs/dbraw/zinc/72/16/51/625721651.db2.gz RNAXDCRMIYAKJN-QGZVFWFLSA-N 2 2 323.444 3.273 20 0 DGADLP Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000796486036 626055568 /nfs/dbraw/zinc/05/55/68/626055568.db2.gz PHTWYVQQLWJZJD-OXQOHEQNSA-N 2 2 321.424 3.392 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000798003554 626188696 /nfs/dbraw/zinc/18/86/96/626188696.db2.gz DLXHPJMFFOLFRT-VQTJNVASSA-N 2 2 313.489 3.500 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)oc1C ZINC000800479116 626363680 /nfs/dbraw/zinc/36/36/80/626363680.db2.gz WWBOQZVNKPVHRL-YOEHRIQHSA-N 2 2 306.450 3.190 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322517 626647431 /nfs/dbraw/zinc/64/74/31/626647431.db2.gz JBEAVAXEVKTVHV-XIHRTOKZSA-N 2 2 313.489 3.460 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322517 626647434 /nfs/dbraw/zinc/64/74/34/626647434.db2.gz JBEAVAXEVKTVHV-XIHRTOKZSA-N 2 2 313.489 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000883388018 626669496 /nfs/dbraw/zinc/66/94/96/626669496.db2.gz KJFFGIWPDKBCNJ-OIISXLGYSA-N 2 2 301.459 3.498 20 0 DGADLP CCCn1nccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397670 626672514 /nfs/dbraw/zinc/67/25/14/626672514.db2.gz SAJWFNBGKBUHNL-SFHVURJKSA-N 2 2 309.417 3.021 20 0 DGADLP Cc1ccc2[nH]c(NCc3ncc(C[NH+](C)C)s3)[nH+]c2c1 ZINC000883408413 626676303 /nfs/dbraw/zinc/67/63/03/626676303.db2.gz VWYLLYBTRAFVTA-UHFFFAOYSA-N 2 2 301.419 3.002 20 0 DGADLP CC1(C)C[C@@H](C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883432841 626681359 /nfs/dbraw/zinc/68/13/59/626681359.db2.gz BHZIZYUZMRXQBG-JLJPHGGASA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@@H](C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883432841 626681361 /nfs/dbraw/zinc/68/13/61/626681361.db2.gz BHZIZYUZMRXQBG-JLJPHGGASA-N 2 2 320.452 3.146 20 0 DGADLP C[N@H+](Cc1cccnc1C(F)(F)F)C1(C[NH3+])CCCCC1 ZINC000883454761 626685978 /nfs/dbraw/zinc/68/59/78/626685978.db2.gz KQDZJJLAFXWVMX-UHFFFAOYSA-N 2 2 301.356 3.194 20 0 DGADLP C[N@@H+](Cc1cccnc1C(F)(F)F)C1(C[NH3+])CCCCC1 ZINC000883454761 626685979 /nfs/dbraw/zinc/68/59/79/626685979.db2.gz KQDZJJLAFXWVMX-UHFFFAOYSA-N 2 2 301.356 3.194 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@H]1CC ZINC000806154067 626703128 /nfs/dbraw/zinc/70/31/28/626703128.db2.gz BAPDCJKZJVEMFB-WBVHZDCISA-N 2 2 317.477 3.438 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976091 626965413 /nfs/dbraw/zinc/96/54/13/626965413.db2.gz GGJGRYKWEJDKDD-TZMCWYRMSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976091 626965418 /nfs/dbraw/zinc/96/54/18/626965418.db2.gz GGJGRYKWEJDKDD-TZMCWYRMSA-N 2 2 304.459 3.007 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)ccc2O1 ZINC000810171725 626984182 /nfs/dbraw/zinc/98/41/82/626984182.db2.gz REYNYIDYQKTRAW-OAHLLOKOSA-N 2 2 311.429 3.160 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000885956766 627069350 /nfs/dbraw/zinc/06/93/50/627069350.db2.gz YHJRMYMEDABGRW-OAHLLOKOSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000885956766 627069356 /nfs/dbraw/zinc/06/93/56/627069356.db2.gz YHJRMYMEDABGRW-OAHLLOKOSA-N 2 2 318.490 3.090 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000886070322 627098233 /nfs/dbraw/zinc/09/82/33/627098233.db2.gz QLBPSJQNVWUPOQ-AEFFLSMTSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000886070322 627098234 /nfs/dbraw/zinc/09/82/34/627098234.db2.gz QLBPSJQNVWUPOQ-AEFFLSMTSA-N 2 2 313.445 3.442 20 0 DGADLP COc1cc(C)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1OC ZINC000886102556 627105829 /nfs/dbraw/zinc/10/58/29/627105829.db2.gz JVBUKULJWAJEAZ-UHFFFAOYSA-N 2 2 318.461 3.119 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@H]3CC[C@@H](C4CC4)O3)CC2)c[nH+]1 ZINC000886122501 627108847 /nfs/dbraw/zinc/10/88/47/627108847.db2.gz CFWAPKMSISEVTK-MOPGFXCFSA-N 2 2 317.477 3.333 20 0 DGADLP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000886280561 627130288 /nfs/dbraw/zinc/13/02/88/627130288.db2.gz GYKNPZVZGZEFSG-DHMWGJHJSA-N 2 2 304.400 3.285 20 0 DGADLP FC(F)(F)SCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000886319417 627136336 /nfs/dbraw/zinc/13/63/36/627136336.db2.gz CWDBWVRHGSEPLF-ZDUSSCGKSA-N 2 2 315.364 3.467 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c2ccccc2)c[nH+]1 ZINC000886319664 627136816 /nfs/dbraw/zinc/13/68/16/627136816.db2.gz LFRYOUVGSFAUOB-QYZOEREBSA-N 2 2 311.429 3.172 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000886498756 627153243 /nfs/dbraw/zinc/15/32/43/627153243.db2.gz OSWPCLUDUJJANL-IBGZPJMESA-N 2 2 323.444 3.152 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCOc2ccccc2F)CC1 ZINC000886707642 627195566 /nfs/dbraw/zinc/19/55/66/627195566.db2.gz NKIQXCLKQFGDIO-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000886715990 627196793 /nfs/dbraw/zinc/19/67/93/627196793.db2.gz KZZXECZHFYAOPP-KRWDZBQOSA-N 2 2 322.880 3.324 20 0 DGADLP OC1(C[C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)CCCCC1 ZINC000887035631 627219145 /nfs/dbraw/zinc/21/91/45/627219145.db2.gz SVYKIYVIDPEWDR-QGZVFWFLSA-N 2 2 305.466 3.213 20 0 DGADLP OC1(C[C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)CCCCC1 ZINC000887035631 627219147 /nfs/dbraw/zinc/21/91/47/627219147.db2.gz SVYKIYVIDPEWDR-QGZVFWFLSA-N 2 2 305.466 3.213 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000887130535 627227823 /nfs/dbraw/zinc/22/78/23/627227823.db2.gz GGDROOKAGVCCSO-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1nc2ccccc2s1 ZINC000887130535 627227826 /nfs/dbraw/zinc/22/78/26/627227826.db2.gz GGDROOKAGVCCSO-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000812753317 627416833 /nfs/dbraw/zinc/41/68/33/627416833.db2.gz FSBDPKSNJCDHKD-PMACEKPBSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000812753317 627416835 /nfs/dbraw/zinc/41/68/35/627416835.db2.gz FSBDPKSNJCDHKD-PMACEKPBSA-N 2 2 314.473 3.297 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)c1ccccc1 ZINC000924535033 627646585 /nfs/dbraw/zinc/64/65/85/627646585.db2.gz YZVXFTBXYXHPGG-JFRXWTBNSA-N 2 2 304.478 3.330 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ncc(C(F)(F)F)cc1Cl ZINC000924554346 627648619 /nfs/dbraw/zinc/64/86/19/627648619.db2.gz VWCTYXFPKZHJKB-VIFPVBQESA-N 2 2 318.730 3.301 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924623217 627658630 /nfs/dbraw/zinc/65/86/30/627658630.db2.gz HGRKDKSXTBGUNY-INIZCTEOSA-N 2 2 306.413 3.047 20 0 DGADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](CC(C)C)[NH+](C)C)n(C)n1 ZINC000924628844 627660179 /nfs/dbraw/zinc/66/01/79/627660179.db2.gz LWWQHZUVBATEFL-UHOSZYNNSA-N 2 2 320.525 3.006 20 0 DGADLP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889636 627690716 /nfs/dbraw/zinc/69/07/16/627690716.db2.gz PDZXBRLZZOCZEY-ZRGWGRIASA-N 2 2 321.509 3.415 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924891572 627691295 /nfs/dbraw/zinc/69/12/95/627691295.db2.gz XDTXOCDDRNGISG-PMACEKPBSA-N 2 2 324.472 3.021 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924891572 627691297 /nfs/dbraw/zinc/69/12/97/627691297.db2.gz XDTXOCDDRNGISG-PMACEKPBSA-N 2 2 324.472 3.021 20 0 DGADLP CCC[NH+](CCC)CCCN[C@H](C)c1cn2c([nH+]1)CCCC2 ZINC000924929891 627694865 /nfs/dbraw/zinc/69/48/65/627694865.db2.gz FMODEZKXHOEQKB-MRXNPFEDSA-N 2 2 306.498 3.382 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(C(C)(C)O)cc1 ZINC000925173309 627715525 /nfs/dbraw/zinc/71/55/25/627715525.db2.gz XSHWYQAWRYAZMI-HOCLYGCPSA-N 2 2 313.445 3.339 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(C(C)(C)O)cc1 ZINC000925173458 627715943 /nfs/dbraw/zinc/71/59/43/627715943.db2.gz XSHWYQAWRYAZMI-ZBFHGGJFSA-N 2 2 313.445 3.339 20 0 DGADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(C(C)(C)O)cc1 ZINC000925211130 627719447 /nfs/dbraw/zinc/71/94/47/627719447.db2.gz BPGFLWWCZXHQPG-KBXCAEBGSA-N 2 2 322.518 3.002 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)OCCO2 ZINC000925512142 627744856 /nfs/dbraw/zinc/74/48/56/627744856.db2.gz ZXQRQSNFINDSJH-ROUUACIJSA-N 2 2 316.445 3.029 20 0 DGADLP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925512254 627744882 /nfs/dbraw/zinc/74/48/82/627744882.db2.gz AOPXAQVGFALVGS-LJQANCHMSA-N 3 2 313.489 3.047 20 0 DGADLP COc1cccc(O[C@H](C)C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925513038 627744950 /nfs/dbraw/zinc/74/49/50/627744950.db2.gz HCSUHONRGXWLGO-SPYBWZPUSA-N 2 2 314.429 3.141 20 0 DGADLP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925512252 627745043 /nfs/dbraw/zinc/74/50/43/627745043.db2.gz AOPXAQVGFALVGS-IBGZPJMESA-N 3 2 313.489 3.047 20 0 DGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514506 627745809 /nfs/dbraw/zinc/74/58/09/627745809.db2.gz PNFXCEWMZGAERP-JTDSTZFVSA-N 3 2 303.494 3.128 20 0 DGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514506 627745811 /nfs/dbraw/zinc/74/58/11/627745811.db2.gz PNFXCEWMZGAERP-JTDSTZFVSA-N 3 2 303.494 3.128 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925524788 627746897 /nfs/dbraw/zinc/74/68/97/627746897.db2.gz ZLNUBEBNNZYNFD-CLCXKQKWSA-N 2 2 314.429 3.141 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1OCCc2sccc21)c1ccccc1 ZINC000925522226 627746993 /nfs/dbraw/zinc/74/69/93/627746993.db2.gz GSEKSDPDMDTCTQ-XGWLTEMNSA-N 2 2 302.443 3.040 20 0 DGADLP CN(C)c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c2ccccc2n1 ZINC000925527017 627747548 /nfs/dbraw/zinc/74/75/48/627747548.db2.gz LVAQMCYBRZVSDA-GOSISDBHSA-N 2 2 324.472 3.065 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC(C)C ZINC000925537749 627750094 /nfs/dbraw/zinc/75/00/94/627750094.db2.gz MGFHEORVMWITGW-KDOFPFPSSA-N 2 2 318.461 3.418 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539151 627750154 /nfs/dbraw/zinc/75/01/54/627750154.db2.gz ZCFVSHIQTHHCLZ-QKLQHJQFSA-N 2 2 309.457 3.191 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551588 627752968 /nfs/dbraw/zinc/75/29/68/627752968.db2.gz BWKKHELANWMHJK-ZHALLVOQSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551588 627752971 /nfs/dbraw/zinc/75/29/71/627752971.db2.gz BWKKHELANWMHJK-ZHALLVOQSA-N 3 2 303.494 3.177 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925556641 627753237 /nfs/dbraw/zinc/75/32/37/627753237.db2.gz HZXFEDIAQJALPY-QGZVFWFLSA-N 2 2 315.461 3.190 20 0 DGADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C23CCCC3)n1 ZINC000925556992 627753780 /nfs/dbraw/zinc/75/37/80/627753780.db2.gz NTPDPLHONSPRJY-IBGZPJMESA-N 2 2 324.472 3.253 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000925561967 627754436 /nfs/dbraw/zinc/75/44/36/627754436.db2.gz ULDTVHGFCWCENY-RDTXWAMCSA-N 2 2 318.461 3.419 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925579213 627758031 /nfs/dbraw/zinc/75/80/31/627758031.db2.gz DCHIYYCRDCWTHO-ZYHUDNBSSA-N 2 2 309.866 3.222 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@H](C)[C@H]2C)c(C)c1 ZINC000925592488 627759780 /nfs/dbraw/zinc/75/97/80/627759780.db2.gz IISVUVJKMWRKTJ-ZAWLATJESA-N 2 2 313.445 3.254 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000925598904 627760805 /nfs/dbraw/zinc/76/08/05/627760805.db2.gz NGORGZXUSFHUNH-FZKQIMNGSA-N 2 2 315.486 3.243 20 0 DGADLP CC[C@@H]1COC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000925595997 627760884 /nfs/dbraw/zinc/76/08/84/627760884.db2.gz VZANTGLHRNGPNS-NEWSRXKRSA-N 2 2 313.445 3.256 20 0 DGADLP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925616544 627763451 /nfs/dbraw/zinc/76/34/51/627763451.db2.gz MTZWTCMEJOQMKP-RTBURBONSA-N 2 2 316.493 3.256 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925623264 627764164 /nfs/dbraw/zinc/76/41/64/627764164.db2.gz RZAPAPRGXOUODE-ZYSHUDEJSA-N 2 2 310.441 3.178 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H]3CCC[NH2+][C@@H]3C)ccc2n1C1CC1 ZINC000925663875 627773445 /nfs/dbraw/zinc/77/34/45/627773445.db2.gz AVUCQMCLQZHIIV-CZUORRHYSA-N 2 2 312.461 3.164 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nccn1-c1ccccc1 ZINC000925673307 627774637 /nfs/dbraw/zinc/77/46/37/627774637.db2.gz MVSXWXNAOWSCEK-RANZSIQMSA-N 2 2 324.472 3.300 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925730106 627783768 /nfs/dbraw/zinc/78/37/68/627783768.db2.gz NEGJARIMBAGCML-FDQGKXFDSA-N 2 2 318.848 3.094 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795005 627796239 /nfs/dbraw/zinc/79/62/39/627796239.db2.gz JDEIBGNSAQHCGQ-SOLBZPMBSA-N 2 2 314.473 3.292 20 0 DGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794120 627796499 /nfs/dbraw/zinc/79/64/99/627796499.db2.gz GUIUMDAFWLVTQZ-HKUYNNGSSA-N 2 2 314.473 3.202 20 0 DGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925791814 627796577 /nfs/dbraw/zinc/79/65/77/627796577.db2.gz CHEILBXZUYNDNA-GUYCJALGSA-N 2 2 320.864 3.076 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925793240 627796786 /nfs/dbraw/zinc/79/67/86/627796786.db2.gz HYDOTJDDDMOBAY-DLBZAZTESA-N 2 2 302.462 3.113 20 0 DGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801042 627797266 /nfs/dbraw/zinc/79/72/66/627797266.db2.gz YVPDKFMYHNWUAP-RTBURBONSA-N 2 2 314.473 3.276 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925814822 627799250 /nfs/dbraw/zinc/79/92/50/627799250.db2.gz QRWYYUYYJRXYHE-HOCLYGCPSA-N 2 2 313.470 3.215 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2ccccn2)cc1 ZINC000925815555 627800181 /nfs/dbraw/zinc/80/01/81/627800181.db2.gz XZQVYOFPXLKJPQ-XLIONFOSSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccccc1 ZINC000925831767 627801641 /nfs/dbraw/zinc/80/16/41/627801641.db2.gz URPVMGWERBWBBL-MYPMTAMASA-N 2 2 316.367 3.165 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1(Cl)CC1 ZINC000925905947 627815792 /nfs/dbraw/zinc/81/57/92/627815792.db2.gz LXYOMYQIIVQUBZ-CYBMUJFWSA-N 2 2 322.884 3.184 20 0 DGADLP Cn1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2ccccc2)n1 ZINC000926130373 627848639 /nfs/dbraw/zinc/84/86/39/627848639.db2.gz OPTUKKYOSLONBH-RTBURBONSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(-c2ccccc2)n1 ZINC000926130373 627848642 /nfs/dbraw/zinc/84/86/42/627848642.db2.gz OPTUKKYOSLONBH-RTBURBONSA-N 2 2 324.472 3.194 20 0 DGADLP OC[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926428083 627894077 /nfs/dbraw/zinc/89/40/77/627894077.db2.gz GMFUJFWORPWSQD-CGTJXYLNSA-N 2 2 322.880 3.022 20 0 DGADLP OC[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926428083 627894081 /nfs/dbraw/zinc/89/40/81/627894081.db2.gz GMFUJFWORPWSQD-CGTJXYLNSA-N 2 2 322.880 3.022 20 0 DGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ncccc1Cl ZINC000926451365 627898282 /nfs/dbraw/zinc/89/82/82/627898282.db2.gz ZBQNAVSRJULVDL-BXUZGUMPSA-N 2 2 304.825 3.446 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469865 627900113 /nfs/dbraw/zinc/90/01/13/627900113.db2.gz HGHAFXGHDLJHGN-KPFFTGBYSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469865 627900115 /nfs/dbraw/zinc/90/01/15/627900115.db2.gz HGHAFXGHDLJHGN-KPFFTGBYSA-N 3 2 315.505 3.142 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926753167 627946413 /nfs/dbraw/zinc/94/64/13/627946413.db2.gz FQFBZIIDHJIJIC-CZUORRHYSA-N 2 2 308.853 3.233 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926753167 627946415 /nfs/dbraw/zinc/94/64/15/627946415.db2.gz FQFBZIIDHJIJIC-CZUORRHYSA-N 2 2 308.853 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000817893269 627954286 /nfs/dbraw/zinc/95/42/86/627954286.db2.gz FUDBSBWLYNDKKK-LKTVYLICSA-N 2 2 317.260 3.147 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](SC)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817901190 627956375 /nfs/dbraw/zinc/95/63/75/627956375.db2.gz UUGLRTDHQBXNAU-BGTYHANMSA-N 2 2 320.502 3.362 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817906038 627958264 /nfs/dbraw/zinc/95/82/64/627958264.db2.gz SHNFIQDFBHOMAY-DDTOSNHZSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000817924813 627963004 /nfs/dbraw/zinc/96/30/04/627963004.db2.gz KAJKLDRQTQZXRX-YSGRDPCXSA-N 2 2 310.441 3.117 20 0 DGADLP Cc1cc(F)ccc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000817953490 627973015 /nfs/dbraw/zinc/97/30/15/627973015.db2.gz PSORJQNEBPNJBA-AWEZNQCLSA-N 2 2 314.408 3.112 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccnc1 ZINC000926902430 627975302 /nfs/dbraw/zinc/97/53/02/627975302.db2.gz XPFOGTOCPYIKKE-TVRKMHQQSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1SC(C)(C)C ZINC000817984260 627983671 /nfs/dbraw/zinc/98/36/71/627983671.db2.gz WYMFVCAJYRWTAG-ZIAGYGMSSA-N 2 2 308.491 3.216 20 0 DGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000819079280 628088311 /nfs/dbraw/zinc/08/83/11/628088311.db2.gz UALJQGXFTMENTN-XLIONFOSSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000822728125 628485691 /nfs/dbraw/zinc/48/56/91/628485691.db2.gz HQXKTHMJVANTSH-CJNGLKHVSA-N 2 2 323.400 3.042 20 0 DGADLP Fc1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489613 628567994 /nfs/dbraw/zinc/56/79/94/628567994.db2.gz JMUSJLDQJKZLGQ-WFASDCNBSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489613 628567997 /nfs/dbraw/zinc/56/79/97/628567997.db2.gz JMUSJLDQJKZLGQ-WFASDCNBSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccnc1Cl ZINC000823489613 628567999 /nfs/dbraw/zinc/56/79/99/628567999.db2.gz JMUSJLDQJKZLGQ-WFASDCNBSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489613 628568000 /nfs/dbraw/zinc/56/80/00/628568000.db2.gz JMUSJLDQJKZLGQ-WFASDCNBSA-N 2 2 323.843 3.323 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)ncc2F)cc1 ZINC000824382328 628656802 /nfs/dbraw/zinc/65/68/02/628656802.db2.gz AULMTNSGOCMCKJ-UHFFFAOYSA-N 2 2 305.372 3.053 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)ncc2F)cc1 ZINC000824382328 628656803 /nfs/dbraw/zinc/65/68/03/628656803.db2.gz AULMTNSGOCMCKJ-UHFFFAOYSA-N 2 2 305.372 3.053 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028878 629218505 /nfs/dbraw/zinc/21/85/05/629218505.db2.gz UGJWCBVRXUNFME-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028878 629218510 /nfs/dbraw/zinc/21/85/10/629218510.db2.gz UGJWCBVRXUNFME-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028878 629218514 /nfs/dbraw/zinc/21/85/14/629218514.db2.gz UGJWCBVRXUNFME-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028878 629218519 /nfs/dbraw/zinc/21/85/19/629218519.db2.gz UGJWCBVRXUNFME-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2sccc21 ZINC000834571946 629731260 /nfs/dbraw/zinc/73/12/60/629731260.db2.gz YBOHJCCYWLSTKC-CTASWTNQSA-N 2 2 306.475 3.139 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2sccc21 ZINC000834571946 629731263 /nfs/dbraw/zinc/73/12/63/629731263.db2.gz YBOHJCCYWLSTKC-CTASWTNQSA-N 2 2 306.475 3.139 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CC1(F)F ZINC000840878324 630370814 /nfs/dbraw/zinc/37/08/14/630370814.db2.gz DAHRUOPCJZXRSO-GUYCJALGSA-N 2 2 323.431 3.355 20 0 DGADLP Cc1ccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(N(C)C)[nH+]1 ZINC000841155211 630412256 /nfs/dbraw/zinc/41/22/56/630412256.db2.gz UAIWJSSFPCOWEZ-GFCCVEGCSA-N 2 2 313.405 3.120 20 0 DGADLP CC(C)[C@H](c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@@H](C)[NH3+] ZINC000841826510 630469385 /nfs/dbraw/zinc/46/93/85/630469385.db2.gz DYLGZQSSGHSSSG-DOMZBBRYSA-N 2 2 311.389 3.009 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000842478164 630540171 /nfs/dbraw/zinc/54/01/71/630540171.db2.gz GHHYYARZCJZCAM-UXLLHSPISA-N 2 2 317.477 3.055 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000842478164 630540174 /nfs/dbraw/zinc/54/01/74/630540174.db2.gz GHHYYARZCJZCAM-UXLLHSPISA-N 2 2 317.477 3.055 20 0 DGADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cncc2ccccc21 ZINC000843122739 630615997 /nfs/dbraw/zinc/61/59/97/630615997.db2.gz UBNDWSLDKTXHOU-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cncc2ccccc21 ZINC000843122739 630615998 /nfs/dbraw/zinc/61/59/98/630615998.db2.gz UBNDWSLDKTXHOU-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(C3CCCCC3)CC2)n1 ZINC000843357799 630649122 /nfs/dbraw/zinc/64/91/22/630649122.db2.gz YLSNKXBNCRSNQD-UHFFFAOYSA-N 2 2 306.454 3.056 20 0 DGADLP FC1(F)C[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000844440722 630730182 /nfs/dbraw/zinc/73/01/82/630730182.db2.gz SZLBGXGQXMUPGU-INIZCTEOSA-N 2 2 303.356 3.494 20 0 DGADLP FC1(F)C[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000844440722 630730184 /nfs/dbraw/zinc/73/01/84/630730184.db2.gz SZLBGXGQXMUPGU-INIZCTEOSA-N 2 2 303.356 3.494 20 0 DGADLP CCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000845928039 631202453 /nfs/dbraw/zinc/20/24/53/631202453.db2.gz MINLUXYAZANKSQ-UHFFFAOYSA-N 2 2 306.413 3.428 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000846117415 631210506 /nfs/dbraw/zinc/21/05/06/631210506.db2.gz CVIKXZPTUYMQEK-QGZVFWFLSA-N 2 2 320.477 3.300 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000846117415 631210507 /nfs/dbraw/zinc/21/05/07/631210507.db2.gz CVIKXZPTUYMQEK-QGZVFWFLSA-N 2 2 320.477 3.300 20 0 DGADLP CC[N@H+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000846182637 631213884 /nfs/dbraw/zinc/21/38/84/631213884.db2.gz NTHTWJWKQWGCQL-JLYLLQBASA-N 3 2 307.526 3.246 20 0 DGADLP CC[N@@H+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000846182637 631213885 /nfs/dbraw/zinc/21/38/85/631213885.db2.gz NTHTWJWKQWGCQL-JLYLLQBASA-N 3 2 307.526 3.246 20 0 DGADLP CC[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000846182637 631213887 /nfs/dbraw/zinc/21/38/87/631213887.db2.gz NTHTWJWKQWGCQL-JLYLLQBASA-N 3 2 307.526 3.246 20 0 DGADLP CC[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000846182637 631213889 /nfs/dbraw/zinc/21/38/89/631213889.db2.gz NTHTWJWKQWGCQL-JLYLLQBASA-N 3 2 307.526 3.246 20 0 DGADLP CC[N@H+](CCCCCC[NH3+])CC1CCN(c2cccc[nH+]2)CC1 ZINC000846219482 631215325 /nfs/dbraw/zinc/21/53/25/631215325.db2.gz BQAAHTXLQVALNK-UHFFFAOYSA-N 3 2 318.509 3.139 20 0 DGADLP CC[N@@H+](CCCCCC[NH3+])CC1CCN(c2cccc[nH+]2)CC1 ZINC000846219482 631215326 /nfs/dbraw/zinc/21/53/26/631215326.db2.gz BQAAHTXLQVALNK-UHFFFAOYSA-N 3 2 318.509 3.139 20 0 DGADLP Fc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cnc1Cl ZINC000846774297 631301216 /nfs/dbraw/zinc/30/12/16/631301216.db2.gz QYIVBPTUILMVME-UHFFFAOYSA-N 2 2 311.832 3.182 20 0 DGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000846804455 631310100 /nfs/dbraw/zinc/31/01/00/631310100.db2.gz KSPDKNKGVHGQEN-JTDSTZFVSA-N 2 2 313.445 3.203 20 0 DGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000846804455 631310106 /nfs/dbraw/zinc/31/01/06/631310106.db2.gz KSPDKNKGVHGQEN-JTDSTZFVSA-N 2 2 313.445 3.203 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2ccccc2n1 ZINC000848521402 631675638 /nfs/dbraw/zinc/67/56/38/631675638.db2.gz NWKYGNLUDZGZGK-HOCLYGCPSA-N 2 2 311.433 3.296 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848574999 631699926 /nfs/dbraw/zinc/69/99/26/631699926.db2.gz KOHKBIDXJCTEKA-OALUTQOASA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848574999 631699928 /nfs/dbraw/zinc/69/99/28/631699928.db2.gz KOHKBIDXJCTEKA-OALUTQOASA-N 2 2 318.461 3.166 20 0 DGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])NC1CCCCC1)c1ccco1 ZINC000849026978 631811728 /nfs/dbraw/zinc/81/17/28/631811728.db2.gz PQERTAZWKDBTHJ-ZFWWWQNUSA-N 2 2 306.454 3.155 20 0 DGADLP CCc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000849057631 631822233 /nfs/dbraw/zinc/82/22/33/631822233.db2.gz QAXOKPKUZDWQOI-MAUKXSAKSA-N 2 2 316.493 3.108 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC000851947253 632527859 /nfs/dbraw/zinc/52/78/59/632527859.db2.gz PKNSTVGJIMXCAQ-QWHCGFSZSA-N 2 2 309.281 3.032 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC000851947253 632527860 /nfs/dbraw/zinc/52/78/60/632527860.db2.gz PKNSTVGJIMXCAQ-QWHCGFSZSA-N 2 2 309.281 3.032 20 0 DGADLP CC(C)c1nsc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000929507744 661313802 /nfs/dbraw/zinc/31/38/02/661313802.db2.gz ZYNYLPYREKRPAG-UHFFFAOYSA-N 2 2 310.511 3.214 20 0 DGADLP CC(C)c1nsc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000929507744 661313805 /nfs/dbraw/zinc/31/38/05/661313805.db2.gz ZYNYLPYREKRPAG-UHFFFAOYSA-N 2 2 310.511 3.214 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC000793048180 661001854 /nfs/dbraw/zinc/00/18/54/661001854.db2.gz QJTVYDAKYXVMNL-OAGGEKHMSA-N 2 2 320.477 3.270 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1OC ZINC000793048180 661001857 /nfs/dbraw/zinc/00/18/57/661001857.db2.gz QJTVYDAKYXVMNL-OAGGEKHMSA-N 2 2 320.477 3.270 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261619866 656932130 /nfs/dbraw/zinc/93/21/30/656932130.db2.gz GFTFSTCPRDCACI-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261619866 656932135 /nfs/dbraw/zinc/93/21/35/656932135.db2.gz GFTFSTCPRDCACI-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000261687434 656968134 /nfs/dbraw/zinc/96/81/34/656968134.db2.gz HGVOYGGBLZDUPG-AWEZNQCLSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000261687434 656968140 /nfs/dbraw/zinc/96/81/40/656968140.db2.gz HGVOYGGBLZDUPG-AWEZNQCLSA-N 2 2 304.768 3.112 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000320766684 657398575 /nfs/dbraw/zinc/39/85/75/657398575.db2.gz KJBLHVXTCJMNBQ-DBVUQKKJSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000320766684 657398581 /nfs/dbraw/zinc/39/85/81/657398581.db2.gz KJBLHVXTCJMNBQ-DBVUQKKJSA-N 2 2 316.489 3.399 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000253190302 657662641 /nfs/dbraw/zinc/66/26/41/657662641.db2.gz KWRHTYBTNXMQOJ-WCQYABFASA-N 2 2 307.488 3.288 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000253190302 657662652 /nfs/dbraw/zinc/66/26/52/657662652.db2.gz KWRHTYBTNXMQOJ-WCQYABFASA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253191543 657664272 /nfs/dbraw/zinc/66/42/72/657664272.db2.gz MEHDYDDLWCWLQK-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253191543 657664280 /nfs/dbraw/zinc/66/42/80/657664280.db2.gz MEHDYDDLWCWLQK-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420410205 658095555 /nfs/dbraw/zinc/09/55/55/658095555.db2.gz WMSPFEMTULQOTI-FQEVSTJZSA-N 2 2 310.441 3.437 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420410205 658095564 /nfs/dbraw/zinc/09/55/64/658095564.db2.gz WMSPFEMTULQOTI-FQEVSTJZSA-N 2 2 310.441 3.437 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157672261 659082340 /nfs/dbraw/zinc/08/23/40/659082340.db2.gz ZAWWTMLVISXWTA-ZWKOTPCHSA-N 2 2 300.446 3.147 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157672261 659082347 /nfs/dbraw/zinc/08/23/47/659082347.db2.gz ZAWWTMLVISXWTA-ZWKOTPCHSA-N 2 2 300.446 3.147 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000322369752 659719814 /nfs/dbraw/zinc/71/98/14/659719814.db2.gz DMPLMENGOKGSRA-HNNXBMFYSA-N 2 2 310.445 3.150 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000180158544 659953248 /nfs/dbraw/zinc/95/32/48/659953248.db2.gz BFGZSHDGRIAQLS-UHFFFAOYSA-N 2 2 324.334 3.246 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644549 661323980 /nfs/dbraw/zinc/32/39/80/661323980.db2.gz SRDDYJZAZPVWPI-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644549 661323982 /nfs/dbraw/zinc/32/39/82/661323982.db2.gz SRDDYJZAZPVWPI-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644549 661323984 /nfs/dbraw/zinc/32/39/84/661323984.db2.gz SRDDYJZAZPVWPI-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644549 661323987 /nfs/dbraw/zinc/32/39/87/661323987.db2.gz SRDDYJZAZPVWPI-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644548 661324017 /nfs/dbraw/zinc/32/40/17/661324017.db2.gz SRDDYJZAZPVWPI-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644548 661324020 /nfs/dbraw/zinc/32/40/20/661324020.db2.gz SRDDYJZAZPVWPI-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644548 661324022 /nfs/dbraw/zinc/32/40/22/661324022.db2.gz SRDDYJZAZPVWPI-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644548 661324024 /nfs/dbraw/zinc/32/40/24/661324024.db2.gz SRDDYJZAZPVWPI-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1[nH]c(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000929762969 661335867 /nfs/dbraw/zinc/33/58/67/661335867.db2.gz AINMFCMUGARFEI-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000929762969 661335870 /nfs/dbraw/zinc/33/58/70/661335870.db2.gz AINMFCMUGARFEI-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000929803434 661340055 /nfs/dbraw/zinc/34/00/55/661340055.db2.gz HYNFMCFHHXFYJQ-UONOGXRCSA-N 2 2 317.355 3.020 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C)[nH+]1 ZINC000929806593 661340333 /nfs/dbraw/zinc/34/03/33/661340333.db2.gz LDWPVMBLCUGXHP-GOSISDBHSA-N 2 2 313.445 3.250 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C)[nH+]1 ZINC000929806593 661340334 /nfs/dbraw/zinc/34/03/34/661340334.db2.gz LDWPVMBLCUGXHP-GOSISDBHSA-N 2 2 313.445 3.250 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](CCc3nsc4ccccc43)C[C@]2(C)C1 ZINC000931316548 661466552 /nfs/dbraw/zinc/46/65/52/661466552.db2.gz JDSKHCLWNNTVGE-ROUUACIJSA-N 2 2 315.486 3.112 20 0 DGADLP Cc1ccc(OCCC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1C ZINC000931509339 661483903 /nfs/dbraw/zinc/48/39/03/661483903.db2.gz PBQGQZKITFBKOT-UHFFFAOYSA-N 2 2 311.429 3.108 20 0 DGADLP CC[C@@H](OCC[N@@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931515744 661484627 /nfs/dbraw/zinc/48/46/27/661484627.db2.gz JODUMTNXIBGCHU-LJQANCHMSA-N 2 2 311.429 3.190 20 0 DGADLP CC[C@@H](OCC[N@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931515744 661484630 /nfs/dbraw/zinc/48/46/30/661484630.db2.gz JODUMTNXIBGCHU-LJQANCHMSA-N 2 2 311.429 3.190 20 0 DGADLP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000932685871 661590945 /nfs/dbraw/zinc/59/09/45/661590945.db2.gz VVMLDHMGBKURPH-SFHVURJKSA-N 2 2 321.465 3.107 20 0 DGADLP CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000932685871 661590946 /nfs/dbraw/zinc/59/09/46/661590946.db2.gz VVMLDHMGBKURPH-SFHVURJKSA-N 2 2 321.465 3.107 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000077249210 662018273 /nfs/dbraw/zinc/01/82/73/662018273.db2.gz JOEKDNYOPPWVPV-UHFFFAOYSA-N 2 2 321.852 3.158 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000077249210 662018274 /nfs/dbraw/zinc/01/82/74/662018274.db2.gz JOEKDNYOPPWVPV-UHFFFAOYSA-N 2 2 321.852 3.158 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718075687 662216634 /nfs/dbraw/zinc/21/66/34/662216634.db2.gz WCBGENXZZHRXTK-POAQFYNOSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718075687 662216636 /nfs/dbraw/zinc/21/66/36/662216636.db2.gz WCBGENXZZHRXTK-POAQFYNOSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246537206 662264092 /nfs/dbraw/zinc/26/40/92/662264092.db2.gz JNOLCGNQZVTZLE-QFBILLFUSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246537206 662264093 /nfs/dbraw/zinc/26/40/93/662264093.db2.gz JNOLCGNQZVTZLE-QFBILLFUSA-N 2 2 321.428 3.287 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912298 662361427 /nfs/dbraw/zinc/36/14/27/662361427.db2.gz IWYVBQHUQGTFJX-HIFRSBDPSA-N 2 2 318.852 3.063 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912298 662361429 /nfs/dbraw/zinc/36/14/29/662361429.db2.gz IWYVBQHUQGTFJX-HIFRSBDPSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912298 662361431 /nfs/dbraw/zinc/36/14/31/662361431.db2.gz IWYVBQHUQGTFJX-HIFRSBDPSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912298 662361432 /nfs/dbraw/zinc/36/14/32/662361432.db2.gz IWYVBQHUQGTFJX-HIFRSBDPSA-N 2 2 318.852 3.063 20 0 DGADLP CCC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249085912 662364580 /nfs/dbraw/zinc/36/45/80/662364580.db2.gz SGUZESSWGLWVFD-ICSRJNTNSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249085912 662364582 /nfs/dbraw/zinc/36/45/82/662364582.db2.gz SGUZESSWGLWVFD-ICSRJNTNSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249085912 662364583 /nfs/dbraw/zinc/36/45/83/662364583.db2.gz SGUZESSWGLWVFD-ICSRJNTNSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249085912 662364585 /nfs/dbraw/zinc/36/45/85/662364585.db2.gz SGUZESSWGLWVFD-ICSRJNTNSA-N 2 2 314.473 3.342 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000380917128 685154081 /nfs/dbraw/zinc/15/40/81/685154081.db2.gz UBXVAKNKMVGZPS-HXUWFJFHSA-N 2 2 309.457 3.392 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000380917128 685154086 /nfs/dbraw/zinc/15/40/86/685154086.db2.gz UBXVAKNKMVGZPS-HXUWFJFHSA-N 2 2 309.457 3.392 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000387322441 685183283 /nfs/dbraw/zinc/18/32/83/685183283.db2.gz BTDMQQFWKLPONT-UHFFFAOYSA-N 2 2 311.813 3.211 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccc(C(F)(F)F)c1 ZINC000392938407 685216117 /nfs/dbraw/zinc/21/61/17/685216117.db2.gz YFVNDNRVSYNLSO-FPWZVUCASA-N 2 2 310.363 3.352 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958697 685220276 /nfs/dbraw/zinc/22/02/76/685220276.db2.gz KSVGLBJTXURIAL-YVWKXTFCSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958697 685220279 /nfs/dbraw/zinc/22/02/79/685220279.db2.gz KSVGLBJTXURIAL-YVWKXTFCSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001576669915 1191860307 /nfs/dbraw/zinc/86/03/07/1191860307.db2.gz CAYFDQMDAKNWPM-PKOBYXMFSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001576669915 1191860308 /nfs/dbraw/zinc/86/03/08/1191860308.db2.gz CAYFDQMDAKNWPM-PKOBYXMFSA-N 3 2 303.494 3.148 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001577396701 1191898131 /nfs/dbraw/zinc/89/81/31/1191898131.db2.gz AYVJBDJFMKSPDF-MRXNPFEDSA-N 2 2 306.450 3.249 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[NH2+]CC1([NH3+])CCC1 ZINC001577432911 1191901240 /nfs/dbraw/zinc/90/12/40/1191901240.db2.gz TZXPNWHVWHMDAY-UHFFFAOYSA-N 2 2 307.457 3.423 20 0 DGADLP COCC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC001579005454 1191963665 /nfs/dbraw/zinc/96/36/65/1191963665.db2.gz PFUDOAQQIFOXLZ-CABCVRRESA-N 2 2 316.367 3.125 20 0 DGADLP COc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2[NH3+])cc1 ZINC001579239779 1191969852 /nfs/dbraw/zinc/96/98/52/1191969852.db2.gz DUQRJSJPGWWPJI-BHYGNILZSA-N 2 2 324.415 3.247 20 0 DGADLP COc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)C[C@H]2[NH3+])cc1 ZINC001579239779 1191969854 /nfs/dbraw/zinc/96/98/54/1191969854.db2.gz DUQRJSJPGWWPJI-BHYGNILZSA-N 2 2 324.415 3.247 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)c(C)[nH+]1 ZINC001579577632 1191980309 /nfs/dbraw/zinc/98/03/09/1191980309.db2.gz VBUIDOFTUPPXEH-UHFFFAOYSA-N 2 2 318.465 3.236 20 0 DGADLP Fc1nccc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001580034809 1192004156 /nfs/dbraw/zinc/00/41/56/1192004156.db2.gz QDBKLSANJYCYNP-CYBMUJFWSA-N 2 2 311.832 3.086 20 0 DGADLP Fc1cccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CCCC(F)(F)F)c1 ZINC001580034963 1192004298 /nfs/dbraw/zinc/00/42/98/1192004298.db2.gz RLHHXPWHDPIJDQ-ZIAGYGMSSA-N 2 2 304.331 3.203 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccccc1 ZINC001580131549 1192009613 /nfs/dbraw/zinc/00/96/13/1192009613.db2.gz DWLVTQRYLVRABV-GOSISDBHSA-N 2 2 320.396 3.059 20 0 DGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)CCCO2 ZINC001580890131 1192043913 /nfs/dbraw/zinc/04/39/13/1192043913.db2.gz IEHZDNMTIZENNS-ZWKOTPCHSA-N 2 2 300.446 3.118 20 0 DGADLP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)CCCO2 ZINC001580890131 1192043916 /nfs/dbraw/zinc/04/39/16/1192043916.db2.gz IEHZDNMTIZENNS-ZWKOTPCHSA-N 2 2 300.446 3.118 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC001580895194 1192044788 /nfs/dbraw/zinc/04/47/88/1192044788.db2.gz GKLQYTNQXXRAJQ-IPMKNSEASA-N 2 2 314.473 3.214 20 0 DGADLP Fc1c(Cl)cccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001620820789 1192163545 /nfs/dbraw/zinc/16/35/45/1192163545.db2.gz BKQGBZQJSPJRIC-UHFFFAOYSA-N 2 2 316.767 3.350 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnsc1 ZINC001620832636 1192321097 /nfs/dbraw/zinc/32/10/97/1192321097.db2.gz MEGUZVZPFWCOPZ-HUUCEWRRSA-N 2 2 315.486 3.389 20 0 DGADLP CCO[C@@H](C[NH2+]C/C=C/c1c(C)cc(C)cc1C)C[NH+](C)C ZINC001621064133 1192461824 /nfs/dbraw/zinc/46/18/24/1192461824.db2.gz OHXFNKTXKACBMS-BLGFXRMMSA-N 2 2 304.478 3.181 20 0 DGADLP COc1cc2c(c(C[NH2+]CCC[N@H+](C)CC(C)C)c1)O[C@@H](C)C2 ZINC001620995200 1192778165 /nfs/dbraw/zinc/77/81/65/1192778165.db2.gz WPVGFWHYHVYEJA-HNNXBMFYSA-N 2 2 320.477 3.086 20 0 DGADLP COc1cc2c(c(C[NH2+]CCC[N@@H+](C)CC(C)C)c1)O[C@@H](C)C2 ZINC001620995200 1192778167 /nfs/dbraw/zinc/77/81/67/1192778167.db2.gz WPVGFWHYHVYEJA-HNNXBMFYSA-N 2 2 320.477 3.086 20 0 DGADLP CCc1cc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000670 1177015066 /nfs/dbraw/zinc/01/50/66/1177015066.db2.gz VVBICLCLMIVKMK-KSSFIOAISA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000670 1177015072 /nfs/dbraw/zinc/01/50/72/1177015072.db2.gz VVBICLCLMIVKMK-KSSFIOAISA-N 2 2 310.445 3.422 20 0 DGADLP Fc1cccc(OC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000527938508 1177618435 /nfs/dbraw/zinc/61/84/35/1177618435.db2.gz WUORQHNFUNKLPN-UHFFFAOYSA-N 2 2 318.436 3.296 20 0 DGADLP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331490662 1178225943 /nfs/dbraw/zinc/22/59/43/1178225943.db2.gz QMKQMQNQDSNKNH-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC001334170909 1178731364 /nfs/dbraw/zinc/73/13/64/1178731364.db2.gz JWZYDVDGEMWKDT-INIZCTEOSA-N 3 2 303.494 3.047 20 0 DGADLP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001344554538 1179450372 /nfs/dbraw/zinc/45/03/72/1179450372.db2.gz BFRVEXDDQRLACA-BZNIZROVSA-N 2 2 314.433 3.396 20 0 DGADLP [NH3+][C@@H](c1noc([C@H]([NH3+])C2CCCCCC2)n1)c1ccccc1 ZINC001352141078 1180300860 /nfs/dbraw/zinc/30/08/60/1180300860.db2.gz GVFJDTGLLBDCQY-HUUCEWRRSA-N 2 2 300.406 3.088 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nccn3c[nH+]cc23)CC1 ZINC001355239326 1181017408 /nfs/dbraw/zinc/01/74/08/1181017408.db2.gz SIPVLVWYCRJHLT-HNNXBMFYSA-N 2 2 321.428 3.367 20 0 DGADLP CC(C)C[C@H](C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)n1cc[nH+]c1 ZINC001355600405 1181075121 /nfs/dbraw/zinc/07/51/21/1181075121.db2.gz OYUAOTUDYNBYFC-MRXNPFEDSA-N 2 2 314.433 3.303 20 0 DGADLP CC(C)CC[C@H](O)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001356532472 1181210150 /nfs/dbraw/zinc/21/01/50/1181210150.db2.gz KNXNELCOJMSAEX-ZWKOTPCHSA-N 2 2 315.461 3.091 20 0 DGADLP CO[C@H](C)C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001652391395 1195591151 /nfs/dbraw/zinc/59/11/51/1195591151.db2.gz GYSMGYDNCINZFC-CQSZACIVSA-N 2 2 307.825 3.074 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1Nc1cc[nH+]cc1)n1cc[nH+]c1 ZINC001448781278 1182214437 /nfs/dbraw/zinc/21/44/37/1182214437.db2.gz PIXGTHZOVQOTOF-AWEZNQCLSA-N 2 2 321.384 3.033 20 0 DGADLP CCOP(=O)(CCC[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)OCC ZINC001652806040 1195654674 /nfs/dbraw/zinc/65/46/74/1195654674.db2.gz CDQQIVMYBDXCJC-CQSZACIVSA-N 2 2 320.414 3.105 20 0 DGADLP CCOP(=O)(CCC[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)OCC ZINC001652806040 1195654679 /nfs/dbraw/zinc/65/46/79/1195654679.db2.gz CDQQIVMYBDXCJC-CQSZACIVSA-N 2 2 320.414 3.105 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460312287 1182675778 /nfs/dbraw/zinc/67/57/78/1182675778.db2.gz YGFLNEIBTPYYLI-UHFFFAOYSA-N 2 2 314.376 3.172 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460312287 1182675780 /nfs/dbraw/zinc/67/57/80/1182675780.db2.gz YGFLNEIBTPYYLI-UHFFFAOYSA-N 2 2 314.376 3.172 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001460701210 1182711092 /nfs/dbraw/zinc/71/10/92/1182711092.db2.gz AEXPFGLVRQPORC-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001460701210 1182711096 /nfs/dbraw/zinc/71/10/96/1182711096.db2.gz AEXPFGLVRQPORC-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP c1ccc(C[N@@H+]2CCC[NH+]([C@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836891 1182728673 /nfs/dbraw/zinc/72/86/73/1182728673.db2.gz OTCCMZIWWZCMQN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP c1ccc(C[N@H+]2CCC[NH+]([C@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836891 1182728677 /nfs/dbraw/zinc/72/86/77/1182728677.db2.gz OTCCMZIWWZCMQN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP c1ccc(C[NH+]2CCC[N@@H+]([C@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836891 1182728681 /nfs/dbraw/zinc/72/86/81/1182728681.db2.gz OTCCMZIWWZCMQN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP c1ccc(C[NH+]2CCC[N@H+]([C@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836891 1182728686 /nfs/dbraw/zinc/72/86/86/1182728686.db2.gz OTCCMZIWWZCMQN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC001461013048 1182755936 /nfs/dbraw/zinc/75/59/36/1182755936.db2.gz NEHWSQPVBGTERB-OAHLLOKOSA-N 2 2 321.534 3.480 20 0 DGADLP Cc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc(C)n1 ZINC001461030622 1182758757 /nfs/dbraw/zinc/75/87/57/1182758757.db2.gz OYJPJSVEYABHKB-UHFFFAOYSA-N 2 2 306.413 3.233 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001461154372 1182775559 /nfs/dbraw/zinc/77/55/59/1182775559.db2.gz BCWHGSWZNHJKRH-CYBMUJFWSA-N 2 2 307.825 3.361 20 0 DGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001461426351 1182813303 /nfs/dbraw/zinc/81/33/03/1182813303.db2.gz OQICHDVWBQQALN-JKSUJKDBSA-N 2 2 312.461 3.077 20 0 DGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001461426351 1182813314 /nfs/dbraw/zinc/81/33/14/1182813314.db2.gz OQICHDVWBQQALN-JKSUJKDBSA-N 2 2 312.461 3.077 20 0 DGADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001461675337 1182840973 /nfs/dbraw/zinc/84/09/73/1182840973.db2.gz GYJVKWJWUKRNGZ-IBGZPJMESA-N 2 2 324.468 3.288 20 0 DGADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001461675337 1182840976 /nfs/dbraw/zinc/84/09/76/1182840976.db2.gz GYJVKWJWUKRNGZ-IBGZPJMESA-N 2 2 324.468 3.288 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001462430942 1182951375 /nfs/dbraw/zinc/95/13/75/1182951375.db2.gz VRQABSYTHIWEFR-XDNAFOTISA-N 2 2 306.494 3.044 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC2CSC2)C[N@@H+]1Cc1ccccc1 ZINC001462670156 1182983138 /nfs/dbraw/zinc/98/31/38/1182983138.db2.gz PQTICAJPERMIJB-KRWDZBQOSA-N 2 2 304.503 3.382 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC2CSC2)C[N@H+]1Cc1ccccc1 ZINC001462670156 1182983145 /nfs/dbraw/zinc/98/31/45/1182983145.db2.gz PQTICAJPERMIJB-KRWDZBQOSA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC001473105443 1183715830 /nfs/dbraw/zinc/71/58/30/1183715830.db2.gz NGONKYHJWQZPFU-UHFFFAOYSA-N 2 2 304.478 3.385 20 0 DGADLP CC(C)C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC001473105443 1183715838 /nfs/dbraw/zinc/71/58/38/1183715838.db2.gz NGONKYHJWQZPFU-UHFFFAOYSA-N 2 2 304.478 3.385 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001473343684 1183746478 /nfs/dbraw/zinc/74/64/78/1183746478.db2.gz RWPRIKJEQSRIGT-QGZVFWFLSA-N 2 2 305.466 3.477 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001473343684 1183746481 /nfs/dbraw/zinc/74/64/81/1183746481.db2.gz RWPRIKJEQSRIGT-QGZVFWFLSA-N 2 2 305.466 3.477 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001473928515 1183829613 /nfs/dbraw/zinc/82/96/13/1183829613.db2.gz QPCVMBGJRLXJSW-OAHLLOKOSA-N 2 2 308.385 3.249 20 0 DGADLP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001473927045 1183830490 /nfs/dbraw/zinc/83/04/90/1183830490.db2.gz VDVRSKFXLPGOCP-RTBURBONSA-N 2 2 313.445 3.369 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc(C)n1 ZINC001474078553 1183862687 /nfs/dbraw/zinc/86/26/87/1183862687.db2.gz OUQQWUYWZHONBK-KRWDZBQOSA-N 2 2 324.472 3.409 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCO2 ZINC001474112667 1183870365 /nfs/dbraw/zinc/87/03/65/1183870365.db2.gz APADXOTVIXLQJS-KRWDZBQOSA-N 2 2 324.359 3.020 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC001474194799 1183880415 /nfs/dbraw/zinc/88/04/15/1183880415.db2.gz BJNSUQIWYWAFIN-MOPGFXCFSA-N 2 2 301.478 3.387 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC001474194799 1183880419 /nfs/dbraw/zinc/88/04/19/1183880419.db2.gz BJNSUQIWYWAFIN-MOPGFXCFSA-N 2 2 301.478 3.387 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2O1 ZINC001474195361 1183882080 /nfs/dbraw/zinc/88/20/80/1183882080.db2.gz SSORQXFYWQVZSR-ZIAGYGMSSA-N 2 2 324.371 3.115 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2O1 ZINC001474195361 1183882082 /nfs/dbraw/zinc/88/20/82/1183882082.db2.gz SSORQXFYWQVZSR-ZIAGYGMSSA-N 2 2 324.371 3.115 20 0 DGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc(C)n1 ZINC001474246844 1183889831 /nfs/dbraw/zinc/88/98/31/1183889831.db2.gz IKRUPHDFLFEAOU-IBGZPJMESA-N 2 2 306.413 3.426 20 0 DGADLP Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC001474453766 1183924794 /nfs/dbraw/zinc/92/47/94/1183924794.db2.gz YRWINCXMGYUWPI-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP Cc1cc(C)c2c(c1)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC001474453766 1183924796 /nfs/dbraw/zinc/92/47/96/1183924796.db2.gz YRWINCXMGYUWPI-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP FC(F)(F)c1cnc(C[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC001474571876 1183942131 /nfs/dbraw/zinc/94/21/31/1183942131.db2.gz JYZPIMUVCSJIEK-UHFFFAOYSA-N 2 2 312.320 3.099 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCC2(CO)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001474608626 1183948833 /nfs/dbraw/zinc/94/88/33/1183948833.db2.gz HBAHYXHWPIXIEJ-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCC2(CO)CCC2)C[N@H+]1Cc1ccccc1 ZINC001474608626 1183948834 /nfs/dbraw/zinc/94/88/34/1183948834.db2.gz HBAHYXHWPIXIEJ-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642576 1183955089 /nfs/dbraw/zinc/95/50/89/1183955089.db2.gz PTSXTVDZLPVNFZ-HZPDHXFCSA-N 2 2 311.473 3.408 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642576 1183955091 /nfs/dbraw/zinc/95/50/91/1183955091.db2.gz PTSXTVDZLPVNFZ-HZPDHXFCSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@H+](C)CCC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001496506089 1185203464 /nfs/dbraw/zinc/20/34/64/1185203464.db2.gz MLYYIEWLQFZHGJ-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP CC[N@@H+](C)CCC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001496506089 1185203475 /nfs/dbraw/zinc/20/34/75/1185203475.db2.gz MLYYIEWLQFZHGJ-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP Cc1cn2cc(NC(=O)c3ccc(C[NH+]4CCCC4)o3)ccc2[nH+]1 ZINC001626207013 1193369646 /nfs/dbraw/zinc/36/96/46/1193369646.db2.gz NEXWDOFKWXXDDM-UHFFFAOYSA-N 2 2 324.384 3.084 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001505966879 1186171768 /nfs/dbraw/zinc/17/17/68/1186171768.db2.gz CPSVQNVHVTYKLB-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001505966879 1186171770 /nfs/dbraw/zinc/17/17/70/1186171770.db2.gz CPSVQNVHVTYKLB-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001506930031 1186316074 /nfs/dbraw/zinc/31/60/74/1186316074.db2.gz INKSLEVWKMEIEA-OAHLLOKOSA-N 2 2 317.477 3.461 20 0 DGADLP CCc1cc(N2CCC(C[NH+]3CCCCC3)CC2)nc(CC)[nH+]1 ZINC001611936571 1193443609 /nfs/dbraw/zinc/44/36/09/1193443609.db2.gz FUBVJLXUFQFISW-UHFFFAOYSA-N 2 2 316.493 3.304 20 0 DGADLP Cc1nc(NC2CCC(C)([NH+]3CCC3)CC2)c2c([nH+]1)CCCC2 ZINC001613022563 1193465543 /nfs/dbraw/zinc/46/55/43/1193465543.db2.gz FRGMMHZSCXFZMF-UHFFFAOYSA-N 2 2 314.477 3.483 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001613082466 1193467054 /nfs/dbraw/zinc/46/70/54/1193467054.db2.gz AISWRKFONULKRT-CQSZACIVSA-N 2 2 311.433 3.415 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991072 1193531936 /nfs/dbraw/zinc/53/19/36/1193531936.db2.gz NBDIORCLDRRYMM-HZPDHXFCSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991072 1193531938 /nfs/dbraw/zinc/53/19/38/1193531938.db2.gz NBDIORCLDRRYMM-HZPDHXFCSA-N 2 2 303.450 3.329 20 0 DGADLP Cc1cc(C)cc(C2=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001616395416 1193538124 /nfs/dbraw/zinc/53/81/24/1193538124.db2.gz JGGRIERXCFWMJP-HXUWFJFHSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cc(C)cc(C2=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001616395416 1193538128 /nfs/dbraw/zinc/53/81/28/1193538128.db2.gz JGGRIERXCFWMJP-HXUWFJFHSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cc(C)cc(C2=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC001616395416 1193538132 /nfs/dbraw/zinc/53/81/32/1193538132.db2.gz JGGRIERXCFWMJP-HXUWFJFHSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cc(C)cc(C2=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC001616395416 1193538136 /nfs/dbraw/zinc/53/81/36/1193538136.db2.gz JGGRIERXCFWMJP-HXUWFJFHSA-N 2 2 316.489 3.094 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CCO1 ZINC001549036112 1188488836 /nfs/dbraw/zinc/48/88/36/1188488836.db2.gz GCEZKCQJIACIRY-FCLVOEFKSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CCO1 ZINC001549036112 1188488837 /nfs/dbraw/zinc/48/88/37/1188488837.db2.gz GCEZKCQJIACIRY-FCLVOEFKSA-N 2 2 320.452 3.003 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)c1Cl ZINC001549087776 1188493848 /nfs/dbraw/zinc/49/38/48/1188493848.db2.gz ZZTSINHMRMRUEG-PBHICJAKSA-N 2 2 324.900 3.206 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)c1Cl ZINC001549087776 1188493850 /nfs/dbraw/zinc/49/38/50/1188493850.db2.gz ZZTSINHMRMRUEG-PBHICJAKSA-N 2 2 324.900 3.206 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001549583238 1188528003 /nfs/dbraw/zinc/52/80/03/1188528003.db2.gz DTNDQKYXRMDOMW-GFCCVEGCSA-N 2 2 305.809 3.159 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001549709974 1188534842 /nfs/dbraw/zinc/53/48/42/1188534842.db2.gz GXKGQODGALHMFU-SCLBCKFNSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001549709974 1188534848 /nfs/dbraw/zinc/53/48/48/1188534848.db2.gz GXKGQODGALHMFU-SCLBCKFNSA-N 2 2 315.392 3.042 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC001549922390 1188559697 /nfs/dbraw/zinc/55/96/97/1188559697.db2.gz MVVUZVMKCNRIPG-WBQNTZJQSA-N 2 2 308.853 3.290 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001550058635 1188576611 /nfs/dbraw/zinc/57/66/11/1188576611.db2.gz NHQXGRBQAYTJOF-LPHOPBHVSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001550058635 1188576613 /nfs/dbraw/zinc/57/66/13/1188576613.db2.gz NHQXGRBQAYTJOF-LPHOPBHVSA-N 2 2 309.457 3.405 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)cc2)[nH+]c1C ZINC001550217591 1188594736 /nfs/dbraw/zinc/59/47/36/1188594736.db2.gz DXXSDLZMBDTGNR-QFBILLFUSA-N 2 2 324.428 3.164 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)CC[C@@H]3C2)c1C ZINC001550540106 1188622852 /nfs/dbraw/zinc/62/28/52/1188622852.db2.gz XCKWDKSBVXACKD-QZTJIDSGSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)CC[C@@H]3C2)c1C ZINC001550540106 1188622853 /nfs/dbraw/zinc/62/28/53/1188622853.db2.gz XCKWDKSBVXACKD-QZTJIDSGSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)c1C ZINC001550540106 1188622856 /nfs/dbraw/zinc/62/28/56/1188622856.db2.gz XCKWDKSBVXACKD-QZTJIDSGSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)c1C ZINC001550540106 1188622858 /nfs/dbraw/zinc/62/28/58/1188622858.db2.gz XCKWDKSBVXACKD-QZTJIDSGSA-N 2 2 314.473 3.198 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001551401557 1188738412 /nfs/dbraw/zinc/73/84/12/1188738412.db2.gz INNNUFBSZLRARP-JKSUJKDBSA-N 2 2 304.340 3.002 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001553024349 1188890502 /nfs/dbraw/zinc/89/05/02/1188890502.db2.gz YLCAQYXAGDHLRY-DOPJRALCSA-N 2 2 314.429 3.308 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC001553027014 1188891584 /nfs/dbraw/zinc/89/15/84/1188891584.db2.gz SYECDIBYGONWCZ-JYJNAYRXSA-N 2 2 306.837 3.044 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(C(F)(F)F)s1 ZINC001553291223 1188913698 /nfs/dbraw/zinc/91/36/98/1188913698.db2.gz GSYLTTVDPGZUJS-DBRXJWEESA-N 2 2 316.392 3.414 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001553685209 1188947447 /nfs/dbraw/zinc/94/74/47/1188947447.db2.gz DKAHCZLQRIREFC-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001553685209 1188947448 /nfs/dbraw/zinc/94/74/48/1188947448.db2.gz DKAHCZLQRIREFC-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP CCc1cc(N2CC[NH+](CC3CCCCC3)CC2)nc(C)[nH+]1 ZINC001559085740 1189169246 /nfs/dbraw/zinc/16/92/46/1189169246.db2.gz XSRSHOPWKJLOFB-UHFFFAOYSA-N 2 2 302.466 3.050 20 0 DGADLP CC[NH+](CC)CCSc1nc2ccccc2n2c[nH+]cc12 ZINC001559114065 1189171794 /nfs/dbraw/zinc/17/17/94/1189171794.db2.gz HGJHYXJBFOIVQE-UHFFFAOYSA-N 2 2 300.431 3.316 20 0 DGADLP CC(C)c1cc(NC[C@@H]2C[NH+]3CCC2CC3)nc(C(C)C)[nH+]1 ZINC001559300967 1189194436 /nfs/dbraw/zinc/19/44/36/1189194436.db2.gz JEKAPIVPSBGEQX-OAHLLOKOSA-N 2 2 302.466 3.477 20 0 DGADLP COCc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001560256135 1189299952 /nfs/dbraw/zinc/29/99/52/1189299952.db2.gz BLTAGGXPUYJGFK-UHFFFAOYSA-N 2 2 313.426 3.370 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C2 ZINC001560266656 1189302461 /nfs/dbraw/zinc/30/24/61/1189302461.db2.gz LGKUIUWREGEXOQ-GOSISDBHSA-N 2 2 316.489 3.264 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC001560293094 1189307100 /nfs/dbraw/zinc/30/71/00/1189307100.db2.gz NNXIOUPYTPQKGD-UHFFFAOYSA-N 2 2 316.445 3.250 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCn3cnc4ccccc43)cc2)c[nH+]1 ZINC001560294670 1189307681 /nfs/dbraw/zinc/30/76/81/1189307681.db2.gz OBEGSASXLJKRPR-UHFFFAOYSA-N 2 2 317.396 3.012 20 0 DGADLP Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560343863 1189314673 /nfs/dbraw/zinc/31/46/73/1189314673.db2.gz ABIPEFLVVHEYRW-NSHDSACASA-N 2 2 316.430 3.259 20 0 DGADLP Cc1ccsc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001560404250 1189323662 /nfs/dbraw/zinc/32/36/62/1189323662.db2.gz NRZKWULWSRXLOY-HNNXBMFYSA-N 2 2 316.474 3.204 20 0 DGADLP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)ccn1 ZINC001560934539 1189407806 /nfs/dbraw/zinc/40/78/06/1189407806.db2.gz TWCQIDUAJAHGIF-YJBOKZPZSA-N 2 2 317.477 3.018 20 0 DGADLP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)ccn1 ZINC001560934539 1189407815 /nfs/dbraw/zinc/40/78/15/1189407815.db2.gz TWCQIDUAJAHGIF-YJBOKZPZSA-N 2 2 317.477 3.018 20 0 DGADLP COC1(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CCC1 ZINC001561050765 1189426352 /nfs/dbraw/zinc/42/63/52/1189426352.db2.gz GJVVADRDHBNRIU-HNNXBMFYSA-N 2 2 305.466 3.387 20 0 DGADLP COC1(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CCC1 ZINC001561050765 1189426354 /nfs/dbraw/zinc/42/63/54/1189426354.db2.gz GJVVADRDHBNRIU-HNNXBMFYSA-N 2 2 305.466 3.387 20 0 DGADLP COC1(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CCC1 ZINC001561050766 1189426579 /nfs/dbraw/zinc/42/65/79/1189426579.db2.gz GJVVADRDHBNRIU-OAHLLOKOSA-N 2 2 305.466 3.387 20 0 DGADLP COC1(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CCC1 ZINC001561050766 1189426584 /nfs/dbraw/zinc/42/65/84/1189426584.db2.gz GJVVADRDHBNRIU-OAHLLOKOSA-N 2 2 305.466 3.387 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H](C)c1ccco1 ZINC001565778068 1189669926 /nfs/dbraw/zinc/66/99/26/1189669926.db2.gz JERVNNLKMAFSMW-LBPRGKRZSA-N 2 2 310.357 3.301 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1)C1CC1 ZINC001620762106 1191442885 /nfs/dbraw/zinc/44/28/85/1191442885.db2.gz HENWNYOMTVNBCC-MRXNPFEDSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1)C1CC1 ZINC001620762106 1191442886 /nfs/dbraw/zinc/44/28/86/1191442886.db2.gz HENWNYOMTVNBCC-MRXNPFEDSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(Br)c1F ZINC001575107414 1191466323 /nfs/dbraw/zinc/46/63/23/1191466323.db2.gz ANFSSVCKAZDDRD-NSHDSACASA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)([NH2+]Cc1nc2c(s1)C[NH2+]CC2)c1ccc(F)c(F)c1 ZINC001575379251 1191476952 /nfs/dbraw/zinc/47/69/52/1191476952.db2.gz ZHMNVBCROIVJAN-UHFFFAOYSA-N 2 2 323.412 3.092 20 0 DGADLP CC(C)Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC001575648447 1191498931 /nfs/dbraw/zinc/49/89/31/1191498931.db2.gz LFAWYELDKUWZAX-RBUKOAKNSA-N 2 2 304.478 3.160 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Oc2cccc(Cl)c2)ccn1)C1C[NH2+]C1 ZINC001576243925 1191546258 /nfs/dbraw/zinc/54/62/58/1191546258.db2.gz HBLITHJUSLJSIH-GFCCVEGCSA-N 2 2 317.820 3.225 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001620498037 1193773291 /nfs/dbraw/zinc/77/32/91/1193773291.db2.gz DNHPHRLGXWZKIN-KRWDZBQOSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001620498037 1193773293 /nfs/dbraw/zinc/77/32/93/1193773293.db2.gz DNHPHRLGXWZKIN-KRWDZBQOSA-N 2 2 305.466 3.323 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001620578488 1193780137 /nfs/dbraw/zinc/78/01/37/1193780137.db2.gz REDNIAZTYWRQRN-UHFFFAOYSA-N 2 2 313.449 3.022 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001620578488 1193780141 /nfs/dbraw/zinc/78/01/41/1193780141.db2.gz REDNIAZTYWRQRN-UHFFFAOYSA-N 2 2 313.449 3.022 20 0 DGADLP c1cn(CC[NH2+]Cc2cccc(COc3ccccc3)c2)c[nH+]1 ZINC001620695582 1193792468 /nfs/dbraw/zinc/79/24/68/1193792468.db2.gz ZTYKXYFWOIOFND-UHFFFAOYSA-N 2 2 307.397 3.252 20 0 DGADLP CC[NH+](CC)[C@H](CNCc1c[nH+]c2ccc(C)cn12)CC(C)C ZINC001620713096 1193793810 /nfs/dbraw/zinc/79/38/10/1193793810.db2.gz SOWQLRBLGUVIGG-KRWDZBQOSA-N 2 2 316.493 3.489 20 0 DGADLP CCCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125860 1193805626 /nfs/dbraw/zinc/80/56/26/1193805626.db2.gz GOPOMUNEUMCCTA-QFBILLFUSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125860 1193805629 /nfs/dbraw/zinc/80/56/29/1193805629.db2.gz GOPOMUNEUMCCTA-QFBILLFUSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC001621125860 1193805631 /nfs/dbraw/zinc/80/56/31/1193805631.db2.gz GOPOMUNEUMCCTA-QFBILLFUSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC001621125860 1193805634 /nfs/dbraw/zinc/80/56/34/1193805634.db2.gz GOPOMUNEUMCCTA-QFBILLFUSA-N 2 2 316.493 3.050 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001621433943 1193841961 /nfs/dbraw/zinc/84/19/61/1193841961.db2.gz FNOIYNPNTNOJMD-OXHPOLQJSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001621433943 1193841963 /nfs/dbraw/zinc/84/19/63/1193841963.db2.gz FNOIYNPNTNOJMD-OXHPOLQJSA-N 2 2 316.489 3.444 20 0 DGADLP COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1C ZINC001621457991 1193845089 /nfs/dbraw/zinc/84/50/89/1193845089.db2.gz TVGVANBIOVWLBF-CRAIPNDOSA-N 2 2 319.493 3.259 20 0 DGADLP COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1C ZINC001621457991 1193845090 /nfs/dbraw/zinc/84/50/90/1193845090.db2.gz TVGVANBIOVWLBF-CRAIPNDOSA-N 2 2 319.493 3.259 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1O ZINC001621560308 1193858785 /nfs/dbraw/zinc/85/87/85/1193858785.db2.gz JZWKMKQFNKPECN-HNNXBMFYSA-N 2 2 320.477 3.043 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1O ZINC001621560308 1193858789 /nfs/dbraw/zinc/85/87/89/1193858789.db2.gz JZWKMKQFNKPECN-HNNXBMFYSA-N 2 2 320.477 3.043 20 0 DGADLP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)n1cc[nH+]c1 ZINC000052748756 1194699100 /nfs/dbraw/zinc/69/91/00/1194699100.db2.gz NQOFLYCWMXWXAF-OAHLLOKOSA-N 2 2 312.417 3.069 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1F ZINC001642563621 1194919345 /nfs/dbraw/zinc/91/93/45/1194919345.db2.gz GJVOLCKZKHRRDM-AWEZNQCLSA-N 2 2 319.399 3.461 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1F ZINC001642563621 1194919348 /nfs/dbraw/zinc/91/93/48/1194919348.db2.gz GJVOLCKZKHRRDM-AWEZNQCLSA-N 2 2 319.399 3.461 20 0 DGADLP CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCC1 ZINC001642861621 1194948372 /nfs/dbraw/zinc/94/83/72/1194948372.db2.gz GOJLICPDLXXKDX-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCC1 ZINC001642861621 1194948376 /nfs/dbraw/zinc/94/83/76/1194948376.db2.gz GOJLICPDLXXKDX-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP CC(C)(C)OC(=O)CC1([NH2+]CC[NH+]2CCCC2)CCCCC1 ZINC001643597054 1195037411 /nfs/dbraw/zinc/03/74/11/1195037411.db2.gz RKGTVMDTQKJPMV-UHFFFAOYSA-N 2 2 310.482 3.107 20 0 DGADLP CC(C)Oc1cccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001644042544 1195077034 /nfs/dbraw/zinc/07/70/34/1195077034.db2.gz OQFHMMAHEAIRJC-OALUTQOASA-N 2 2 302.462 3.247 20 0 DGADLP CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000059369170 1195086668 /nfs/dbraw/zinc/08/66/68/1195086668.db2.gz KWWZTCWICYGDTR-UHFFFAOYSA-N 2 2 322.412 3.264 20 0 DGADLP CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001645011203 1195149507 /nfs/dbraw/zinc/14/95/07/1195149507.db2.gz OAKZGLMGFITTBO-IBGZPJMESA-N 2 2 316.489 3.387 20 0 DGADLP CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001645011203 1195149509 /nfs/dbraw/zinc/14/95/09/1195149509.db2.gz OAKZGLMGFITTBO-IBGZPJMESA-N 2 2 316.489 3.387 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC001647035179 1195242176 /nfs/dbraw/zinc/24/21/76/1195242176.db2.gz FZGNREMWUROAFA-OLZOCXBDSA-N 2 2 316.367 3.390 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)sc2C1 ZINC001647037602 1195242918 /nfs/dbraw/zinc/24/29/18/1195242918.db2.gz MOPZLFSPBRWPJL-HZSPNIEDSA-N 2 2 307.507 3.230 20 0 DGADLP Cc1ccc2[nH+]c(NCc3ccc(OCC[NH+](C)C)cc3)[nH]c2c1 ZINC001651475325 1195467544 /nfs/dbraw/zinc/46/75/44/1195467544.db2.gz VZXPGAHLGOAPBA-UHFFFAOYSA-N 2 2 324.428 3.424 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000065981493 1195483622 /nfs/dbraw/zinc/48/36/22/1195483622.db2.gz JQJJTCYNFDYSBM-SNVBAGLBSA-N 2 2 305.249 3.432 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001652117464 1195550120 /nfs/dbraw/zinc/55/01/20/1195550120.db2.gz ZGNRLXCMHQXKMM-GOSISDBHSA-N 2 2 316.493 3.305 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C1 ZINC000066973304 1195579128 /nfs/dbraw/zinc/57/91/28/1195579128.db2.gz MKMXGZFARMKZFS-HOTGVXAUSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@]1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCCO1 ZINC001652391494 1195591165 /nfs/dbraw/zinc/59/11/65/1195591165.db2.gz LJJOCBXYHDZSKB-SFHVURJKSA-N 2 2 305.466 3.335 20 0 DGADLP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000067250249 1195613226 /nfs/dbraw/zinc/61/32/26/1195613226.db2.gz CFOSGRPABYCLSD-UHFFFAOYSA-N 2 2 320.396 3.121 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000067694033 1195660455 /nfs/dbraw/zinc/66/04/55/1195660455.db2.gz MCSAJWMFEBSJCY-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000067694033 1195660457 /nfs/dbraw/zinc/66/04/57/1195660457.db2.gz MCSAJWMFEBSJCY-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC001652868640 1195663451 /nfs/dbraw/zinc/66/34/51/1195663451.db2.gz UUDZWFCMYZOKLH-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC001652868640 1195663458 /nfs/dbraw/zinc/66/34/58/1195663458.db2.gz UUDZWFCMYZOKLH-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ncccc1F ZINC001652945819 1195674336 /nfs/dbraw/zinc/67/43/36/1195674336.db2.gz AINKXPHWARFQDK-WBVHZDCISA-N 2 2 313.420 3.078 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ncccc1F ZINC001652945819 1195674337 /nfs/dbraw/zinc/67/43/37/1195674337.db2.gz AINKXPHWARFQDK-WBVHZDCISA-N 2 2 313.420 3.078 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652987119 1195677934 /nfs/dbraw/zinc/67/79/34/1195677934.db2.gz ZRJKJHIOIUAOAM-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652987119 1195677935 /nfs/dbraw/zinc/67/79/35/1195677935.db2.gz ZRJKJHIOIUAOAM-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC12CCOCC2 ZINC001653546493 1195733611 /nfs/dbraw/zinc/73/36/11/1195733611.db2.gz HUUJNVHUJIBCFH-KURKYZTESA-N 2 2 306.494 3.142 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC12CCOCC2 ZINC001653546493 1195733615 /nfs/dbraw/zinc/73/36/15/1195733615.db2.gz HUUJNVHUJIBCFH-KURKYZTESA-N 2 2 306.494 3.142 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC12CCOCC2 ZINC001653546493 1195733617 /nfs/dbraw/zinc/73/36/17/1195733617.db2.gz HUUJNVHUJIBCFH-KURKYZTESA-N 2 2 306.494 3.142 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC12CCOCC2 ZINC001653546493 1195733618 /nfs/dbraw/zinc/73/36/18/1195733618.db2.gz HUUJNVHUJIBCFH-KURKYZTESA-N 2 2 306.494 3.142 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585006 1195736255 /nfs/dbraw/zinc/73/62/55/1195736255.db2.gz PZDHNMHZXGDYLY-MJGOQNOKSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585006 1195736259 /nfs/dbraw/zinc/73/62/59/1195736259.db2.gz PZDHNMHZXGDYLY-MJGOQNOKSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC001654217958 1195784971 /nfs/dbraw/zinc/78/49/71/1195784971.db2.gz ICSDHRCLEZZIBA-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC001654217958 1195784974 /nfs/dbraw/zinc/78/49/74/1195784974.db2.gz ICSDHRCLEZZIBA-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP CCOC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC001654401844 1195800005 /nfs/dbraw/zinc/80/00/05/1195800005.db2.gz VOLVNVTWDUOPJC-GOSISDBHSA-N 2 2 301.434 3.331 20 0 DGADLP CC(C)(C)n1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000069678503 1195811635 /nfs/dbraw/zinc/81/16/35/1195811635.db2.gz OZLNTTWWUGQTBE-UHFFFAOYSA-N 2 2 323.444 3.173 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[NH+](Cc1ccccn1)C2 ZINC001654521101 1195812954 /nfs/dbraw/zinc/81/29/54/1195812954.db2.gz QFMIREXHZDIOQM-SFTDATJTSA-N 2 2 321.468 3.426 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000069752125 1195817519 /nfs/dbraw/zinc/81/75/19/1195817519.db2.gz XSKTVDBFZTUUQZ-CYBMUJFWSA-N 2 2 312.889 3.018 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC001654909748 1195854039 /nfs/dbraw/zinc/85/40/39/1195854039.db2.gz URYNTHUWGNQVPR-IBGZPJMESA-N 2 2 313.445 3.212 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@H](C)C1 ZINC001655170994 1195886272 /nfs/dbraw/zinc/88/62/72/1195886272.db2.gz MSXZIJWMXFYSOP-CZUORRHYSA-N 2 2 302.466 3.219 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@H](C)C1 ZINC001655170994 1195886274 /nfs/dbraw/zinc/88/62/74/1195886274.db2.gz MSXZIJWMXFYSOP-CZUORRHYSA-N 2 2 302.466 3.219 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc(CC)[nH+]1 ZINC001655198075 1195889738 /nfs/dbraw/zinc/88/97/38/1195889738.db2.gz HCORQFHBDSYOFA-INIZCTEOSA-N 2 2 302.466 3.278 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc(CC)[nH+]1 ZINC001655198075 1195889741 /nfs/dbraw/zinc/88/97/41/1195889741.db2.gz HCORQFHBDSYOFA-INIZCTEOSA-N 2 2 302.466 3.278 20 0 DGADLP CCN(CC[NH2+]Cc1c[nH+]ccc1N(C)C)c1cccc(C)c1 ZINC001655199493 1195890220 /nfs/dbraw/zinc/89/02/20/1195890220.db2.gz YJVROMXECMTVMX-UHFFFAOYSA-N 2 2 312.461 3.072 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC001655264401 1195897191 /nfs/dbraw/zinc/89/71/91/1195897191.db2.gz BYIIOXOLPUCRPE-SNVBAGLBSA-N 2 2 314.216 3.377 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC001655302320 1195900985 /nfs/dbraw/zinc/90/09/85/1195900985.db2.gz VGLBDJFXHDIQGF-STQMWFEESA-N 2 2 313.848 3.332 20 0 DGADLP CC[C@H]1C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001655410799 1195913553 /nfs/dbraw/zinc/91/35/53/1195913553.db2.gz XPXDVNVJOOWSQZ-CVEARBPZSA-N 2 2 317.408 3.306 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001655454888 1195920078 /nfs/dbraw/zinc/92/00/78/1195920078.db2.gz XZQHOPKBVOAGKW-IAGOWNOFSA-N 2 2 317.477 3.114 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4nsnc43)cc2)c[nH+]1 ZINC001655468586 1195921239 /nfs/dbraw/zinc/92/12/39/1195921239.db2.gz UNUVSCRHKXALND-UHFFFAOYSA-N 2 2 321.409 3.167 20 0 DGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001655653727 1195945355 /nfs/dbraw/zinc/94/53/55/1195945355.db2.gz FNOGLKMJPCVVCU-IBGZPJMESA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001655653727 1195945359 /nfs/dbraw/zinc/94/53/59/1195945359.db2.gz FNOGLKMJPCVVCU-IBGZPJMESA-N 2 2 320.440 3.317 20 0 DGADLP CC(C)n1c(C[NH2+]CCC[N@H+](C)C(C)C)nc2ccccc21 ZINC001656031295 1195989356 /nfs/dbraw/zinc/98/93/56/1195989356.db2.gz DTLKMVZRJAGVLD-UHFFFAOYSA-N 2 2 302.466 3.437 20 0 DGADLP CC(C)n1c(C[NH2+]CCC[N@@H+](C)C(C)C)nc2ccccc21 ZINC001656031295 1195989358 /nfs/dbraw/zinc/98/93/58/1195989358.db2.gz DTLKMVZRJAGVLD-UHFFFAOYSA-N 2 2 302.466 3.437 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001656059509 1195993529 /nfs/dbraw/zinc/99/35/29/1195993529.db2.gz IEUQHFRSWJXARX-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001656059509 1195993531 /nfs/dbraw/zinc/99/35/31/1195993531.db2.gz IEUQHFRSWJXARX-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(C)(C)C ZINC001657161601 1196113041 /nfs/dbraw/zinc/11/30/41/1196113041.db2.gz HDDKTHHKKCJXIG-UHFFFAOYSA-N 2 2 303.494 3.177 20 0 DGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(C)(C)C ZINC001657161601 1196113043 /nfs/dbraw/zinc/11/30/43/1196113043.db2.gz HDDKTHHKKCJXIG-UHFFFAOYSA-N 2 2 303.494 3.177 20 0 DGADLP CC[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001657282164 1196126429 /nfs/dbraw/zinc/12/64/29/1196126429.db2.gz BYWWXYKIOLEYDF-SJORKVTESA-N 2 2 317.477 3.429 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001657321850 1196129493 /nfs/dbraw/zinc/12/94/93/1196129493.db2.gz ACQWDXXTWSQBJZ-HOTGVXAUSA-N 2 2 319.468 3.388 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC001657731968 1196173218 /nfs/dbraw/zinc/17/32/18/1196173218.db2.gz WVNWGBJCUQVZLP-HNNXBMFYSA-N 2 2 312.404 3.479 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC001657731968 1196173220 /nfs/dbraw/zinc/17/32/20/1196173220.db2.gz WVNWGBJCUQVZLP-HNNXBMFYSA-N 2 2 312.404 3.479 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C2 ZINC001657807618 1196179667 /nfs/dbraw/zinc/17/96/67/1196179667.db2.gz URZNYYAKZFPACK-MRXNPFEDSA-N 2 2 302.462 3.017 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348538 1196245145 /nfs/dbraw/zinc/24/51/45/1196245145.db2.gz ZDRNOXJANMOPEP-SJLPKXTDSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348538 1196245148 /nfs/dbraw/zinc/24/51/48/1196245148.db2.gz ZDRNOXJANMOPEP-SJLPKXTDSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348538 1196245151 /nfs/dbraw/zinc/24/51/51/1196245151.db2.gz ZDRNOXJANMOPEP-SJLPKXTDSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC001658348538 1196245154 /nfs/dbraw/zinc/24/51/54/1196245154.db2.gz ZDRNOXJANMOPEP-SJLPKXTDSA-N 2 2 318.509 3.298 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001658786707 1196300813 /nfs/dbraw/zinc/30/08/13/1196300813.db2.gz YFDBAGCPEUIGRU-CABCVRRESA-N 2 2 320.477 3.229 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001658945509 1196324125 /nfs/dbraw/zinc/32/41/25/1196324125.db2.gz PNBDNJOGJBYGME-DFQSSKMNSA-N 2 2 317.521 3.012 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001658945509 1196324127 /nfs/dbraw/zinc/32/41/27/1196324127.db2.gz PNBDNJOGJBYGME-DFQSSKMNSA-N 2 2 317.521 3.012 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001659418824 1196381663 /nfs/dbraw/zinc/38/16/63/1196381663.db2.gz OEXAXYLRWUWIAU-AFYVEPGGSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001659418824 1196381666 /nfs/dbraw/zinc/38/16/66/1196381666.db2.gz OEXAXYLRWUWIAU-AFYVEPGGSA-N 2 2 316.489 3.443 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001659655967 1196403838 /nfs/dbraw/zinc/40/38/38/1196403838.db2.gz IDFVFZOBEMBQLS-KDURUIRLSA-N 2 2 301.478 3.287 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001659655967 1196403840 /nfs/dbraw/zinc/40/38/40/1196403840.db2.gz IDFVFZOBEMBQLS-KDURUIRLSA-N 2 2 301.478 3.287 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001659655967 1196403842 /nfs/dbraw/zinc/40/38/42/1196403842.db2.gz IDFVFZOBEMBQLS-KDURUIRLSA-N 2 2 301.478 3.287 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001659655967 1196403845 /nfs/dbraw/zinc/40/38/45/1196403845.db2.gz IDFVFZOBEMBQLS-KDURUIRLSA-N 2 2 301.478 3.287 20 0 DGADLP C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001659784371 1196413821 /nfs/dbraw/zinc/41/38/21/1196413821.db2.gz TVRBFXLZRIGCDG-ZDUSSCGKSA-N 2 2 313.426 3.360 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](CCCc1ccc(Cl)cc1)CC2 ZINC001659860958 1196422775 /nfs/dbraw/zinc/42/27/75/1196422775.db2.gz GGRWFMDSNBHPHL-UHFFFAOYSA-N 2 2 301.821 3.308 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](CCCc1ccc(Cl)cc1)CC2 ZINC001659860958 1196422777 /nfs/dbraw/zinc/42/27/77/1196422777.db2.gz GGRWFMDSNBHPHL-UHFFFAOYSA-N 2 2 301.821 3.308 20 0 DGADLP CCC[C@@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660343104 1196473728 /nfs/dbraw/zinc/47/37/28/1196473728.db2.gz OJJJOAMLVLLXSZ-GOSISDBHSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[C@@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660343104 1196473731 /nfs/dbraw/zinc/47/37/31/1196473731.db2.gz OJJJOAMLVLLXSZ-GOSISDBHSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[C@@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001660343104 1196473732 /nfs/dbraw/zinc/47/37/32/1196473732.db2.gz OJJJOAMLVLLXSZ-GOSISDBHSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[C@@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001660343104 1196473734 /nfs/dbraw/zinc/47/37/34/1196473734.db2.gz OJJJOAMLVLLXSZ-GOSISDBHSA-N 2 2 304.478 3.400 20 0 DGADLP COc1cc(C)[nH+]c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c1 ZINC001660591913 1196501365 /nfs/dbraw/zinc/50/13/65/1196501365.db2.gz MIQHCQFQVBGFOP-PKOBYXMFSA-N 2 2 317.477 3.093 20 0 DGADLP CCOc1ncccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001660880295 1196538186 /nfs/dbraw/zinc/53/81/86/1196538186.db2.gz XPYFLXOEQPNMSZ-UHFFFAOYSA-N 2 2 314.414 3.017 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001660968836 1196547148 /nfs/dbraw/zinc/54/71/48/1196547148.db2.gz UPZUCPMRRPDQPL-OAHLLOKOSA-N 2 2 300.450 3.049 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001660968836 1196547154 /nfs/dbraw/zinc/54/71/54/1196547154.db2.gz UPZUCPMRRPDQPL-OAHLLOKOSA-N 2 2 300.450 3.049 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001660981815 1196550027 /nfs/dbraw/zinc/55/00/27/1196550027.db2.gz VJERFCIPMMCBAN-UHFFFAOYSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccccc1OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001661075905 1196562565 /nfs/dbraw/zinc/56/25/65/1196562565.db2.gz PFVBSGHTBDRZKY-UHFFFAOYSA-N 2 2 313.426 3.411 20 0 DGADLP COc1cc(C)ccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001661136615 1196571581 /nfs/dbraw/zinc/57/15/81/1196571581.db2.gz KARPCRWFLPXUQJ-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001661557780 1196619413 /nfs/dbraw/zinc/61/94/13/1196619413.db2.gz HBUWXZPLOKDUKW-MAUKXSAKSA-N 2 2 300.490 3.500 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cn2cc(Cl)ccc2n1)[NH+]1CCCCC1 ZINC001662194205 1196692932 /nfs/dbraw/zinc/69/29/32/1196692932.db2.gz QEAGSILJJHEEDO-AWEZNQCLSA-N 2 2 320.868 3.342 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(OC)c(C(C)(C)C)c1)C[NH+](C)C ZINC001663246595 1196817348 /nfs/dbraw/zinc/81/73/48/1196817348.db2.gz UBGLJFQYWXTIHT-INIZCTEOSA-N 2 2 322.493 3.049 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000079000540 1196847188 /nfs/dbraw/zinc/84/71/88/1196847188.db2.gz MGILBJHXJDIAHC-GOSISDBHSA-N 2 2 323.444 3.273 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001663718621 1196934047 /nfs/dbraw/zinc/93/40/47/1196934047.db2.gz ZVLKRNLYSIJUQD-MSOLQXFVSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001663718621 1196934049 /nfs/dbraw/zinc/93/40/49/1196934049.db2.gz ZVLKRNLYSIJUQD-MSOLQXFVSA-N 2 2 318.509 3.380 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](CC2CCC2)C2CC2)c(C)[nH+]1 ZINC001663740003 1196936959 /nfs/dbraw/zinc/93/69/59/1196936959.db2.gz SYGOZGNFDQRCCV-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](CC2CCC2)C2CC2)c(C)[nH+]1 ZINC001663740003 1196936962 /nfs/dbraw/zinc/93/69/62/1196936962.db2.gz SYGOZGNFDQRCCV-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C)c(F)c1 ZINC001664035548 1196966299 /nfs/dbraw/zinc/96/62/99/1196966299.db2.gz FULBJDKHGMQURK-HKUYNNGSSA-N 2 2 320.452 3.428 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479506 1197004363 /nfs/dbraw/zinc/00/43/63/1197004363.db2.gz KUAAJOSCKYFQCT-IRXDYDNUSA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479506 1197004368 /nfs/dbraw/zinc/00/43/68/1197004368.db2.gz KUAAJOSCKYFQCT-IRXDYDNUSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378926284 1197702063 /nfs/dbraw/zinc/70/20/63/1197702063.db2.gz TXGOBFAPGISDTB-IEZWGBDMSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378926284 1197702069 /nfs/dbraw/zinc/70/20/69/1197702069.db2.gz TXGOBFAPGISDTB-IEZWGBDMSA-N 3 2 310.445 3.150 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817134 1197715798 /nfs/dbraw/zinc/71/57/98/1197715798.db2.gz FQEZNDNZYULYMK-KDOFPFPSSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817134 1197715805 /nfs/dbraw/zinc/71/58/05/1197715805.db2.gz FQEZNDNZYULYMK-KDOFPFPSSA-N 2 2 315.392 3.042 20 0 DGADLP CN(C)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000105434992 1199540431 /nfs/dbraw/zinc/54/04/31/1199540431.db2.gz NCQUOJMUZREXCI-UHFFFAOYSA-N 2 2 306.413 3.228 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(F)c2F)cn1 ZINC000107711861 1199586648 /nfs/dbraw/zinc/58/66/48/1199586648.db2.gz YMGAUWBOYDRMGJ-UHFFFAOYSA-N 2 2 314.339 3.144 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112710334 1199652241 /nfs/dbraw/zinc/65/22/41/1199652241.db2.gz GYONBYRUSBGWND-LLVKDONJSA-N 2 2 318.795 3.373 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112710334 1199652245 /nfs/dbraw/zinc/65/22/45/1199652245.db2.gz GYONBYRUSBGWND-LLVKDONJSA-N 2 2 318.795 3.373 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000314315551 1199785414 /nfs/dbraw/zinc/78/54/14/1199785414.db2.gz BMCSZXVCPGYRJB-XJKSGUPXSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000314315551 1199785417 /nfs/dbraw/zinc/78/54/17/1199785417.db2.gz BMCSZXVCPGYRJB-XJKSGUPXSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000314315538 1199785514 /nfs/dbraw/zinc/78/55/14/1199785514.db2.gz BMCSZXVCPGYRJB-BBRMVZONSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000314315538 1199785517 /nfs/dbraw/zinc/78/55/17/1199785517.db2.gz BMCSZXVCPGYRJB-BBRMVZONSA-N 2 2 323.278 3.331 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946779 1199797202 /nfs/dbraw/zinc/79/72/02/1199797202.db2.gz SWHRZAIWJAKZOQ-CJNGLKHVSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946779 1199797205 /nfs/dbraw/zinc/79/72/05/1199797205.db2.gz SWHRZAIWJAKZOQ-CJNGLKHVSA-N 2 2 319.499 3.432 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119027761 1200008017 /nfs/dbraw/zinc/00/80/17/1200008017.db2.gz CLWKHTKVGSQGPR-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318805 1200204723 /nfs/dbraw/zinc/20/47/23/1200204723.db2.gz ONAUDUFFCXVSTN-IUODEOHRSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318805 1200204729 /nfs/dbraw/zinc/20/47/29/1200204729.db2.gz ONAUDUFFCXVSTN-IUODEOHRSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318804 1200205388 /nfs/dbraw/zinc/20/53/88/1200205388.db2.gz ONAUDUFFCXVSTN-DOMZBBRYSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318804 1200205390 /nfs/dbraw/zinc/20/53/90/1200205390.db2.gz ONAUDUFFCXVSTN-DOMZBBRYSA-N 2 2 305.466 3.103 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000123662569 1200283855 /nfs/dbraw/zinc/28/38/55/1200283855.db2.gz XYCFTDCOYNIAFM-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)[C@@H]1c1cccs1 ZINC000136212223 1201211678 /nfs/dbraw/zinc/21/16/78/1201211678.db2.gz DEEZVFNWRWXOFH-SWLSCSKDSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)[C@@H]1c1cccs1 ZINC000136212223 1201211684 /nfs/dbraw/zinc/21/16/84/1201211684.db2.gz DEEZVFNWRWXOFH-SWLSCSKDSA-N 2 2 307.488 3.377 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001698992326 1201655776 /nfs/dbraw/zinc/65/57/76/1201655776.db2.gz PNIUOZZPWRIUIH-UHFFFAOYSA-N 2 2 317.477 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001698992326 1201655788 /nfs/dbraw/zinc/65/57/88/1201655788.db2.gz PNIUOZZPWRIUIH-UHFFFAOYSA-N 2 2 317.477 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001700409353 1202265202 /nfs/dbraw/zinc/26/52/02/1202265202.db2.gz OOFTXNLKXMHFOK-GJZGRUSLSA-N 2 2 317.477 3.293 20 0 DGADLP CC/C=C/CC[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753481879 1202270944 /nfs/dbraw/zinc/27/09/44/1202270944.db2.gz AHPSAIMQWHQEIO-IJDCCNJMSA-N 2 2 317.477 3.461 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OC)c2OC(C)C)CC1 ZINC000236858084 1202629482 /nfs/dbraw/zinc/62/94/82/1202629482.db2.gz BUBMXCDBOOZGAI-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001714416251 1202920377 /nfs/dbraw/zinc/92/03/77/1202920377.db2.gz VCHILQAPOOSXDE-AWEZNQCLSA-N 2 2 319.493 3.399 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]C(C)C)CC(C)C)c(C)[nH+]1 ZINC001714921321 1203199634 /nfs/dbraw/zinc/19/96/34/1203199634.db2.gz QOWJVJTUPBRCCW-MRXNPFEDSA-N 2 2 305.466 3.149 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001715348644 1203321420 /nfs/dbraw/zinc/32/14/20/1203321420.db2.gz MENJOULDBMEJQI-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763939 1203590372 /nfs/dbraw/zinc/59/03/72/1203590372.db2.gz NKEMKWOMADNREW-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763939 1203590373 /nfs/dbraw/zinc/59/03/73/1203590373.db2.gz NKEMKWOMADNREW-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP CCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001732488805 1204869416 /nfs/dbraw/zinc/86/94/16/1204869416.db2.gz ODQKWNCTLPUMAU-WMLDXEAASA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001732965763 1204967390 /nfs/dbraw/zinc/96/73/90/1204967390.db2.gz PZEFXRQFVXQWIC-OAHLLOKOSA-N 2 2 315.461 3.215 20 0 DGADLP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733539648 1205158573 /nfs/dbraw/zinc/15/85/73/1205158573.db2.gz YNWWFBVQNZPFNF-RDJZCZTQSA-N 2 2 317.477 3.247 20 0 DGADLP CCCC[C@H](C[NH2+]CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734095415 1205320216 /nfs/dbraw/zinc/32/02/16/1205320216.db2.gz ZMHIDQYEAJMUPR-OAHLLOKOSA-N 2 2 316.449 3.097 20 0 DGADLP Cc1c[nH]c2nc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c12 ZINC001165048823 721964668 /nfs/dbraw/zinc/96/46/68/721964668.db2.gz ZRDLOEOUCATLCB-OAHLLOKOSA-N 2 2 313.449 3.111 20 0 DGADLP Cc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c2c([nH+]1)CCC2 ZINC001165048795 721974192 /nfs/dbraw/zinc/97/41/92/721974192.db2.gz LFYBGBRACAHKNM-INIZCTEOSA-N 2 2 314.477 3.119 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811635 1081697999 /nfs/dbraw/zinc/69/79/99/1081697999.db2.gz WIRQXAUCAMZTBF-WDEREUQCSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811635 1081697998 /nfs/dbraw/zinc/69/79/98/1081697998.db2.gz WIRQXAUCAMZTBF-WDEREUQCSA-N 2 2 317.296 3.378 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccn(C)n1 ZINC001648792101 1081698021 /nfs/dbraw/zinc/69/80/21/1081698021.db2.gz ILQWKKKYXCOXNU-INIZCTEOSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccn(C)n1 ZINC001648792101 1081698025 /nfs/dbraw/zinc/69/80/25/1081698025.db2.gz ILQWKKKYXCOXNU-INIZCTEOSA-N 2 2 312.461 3.084 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468711 1081815407 /nfs/dbraw/zinc/81/54/07/1081815407.db2.gz HSDVNRXQJFNKPQ-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468711 1081815413 /nfs/dbraw/zinc/81/54/13/1081815413.db2.gz HSDVNRXQJFNKPQ-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468711 1081815422 /nfs/dbraw/zinc/81/54/22/1081815422.db2.gz HSDVNRXQJFNKPQ-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468711 1081815431 /nfs/dbraw/zinc/81/54/31/1081815431.db2.gz HSDVNRXQJFNKPQ-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCCC(C)C)CC2)c1 ZINC001170090189 1082066171 /nfs/dbraw/zinc/06/61/71/1082066171.db2.gz IQEZIXGZTOYIBK-INIZCTEOSA-N 2 2 305.466 3.427 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001170403239 1082365101 /nfs/dbraw/zinc/36/51/01/1082365101.db2.gz DDHUJWSIWLXEII-QGZVFWFLSA-N 2 2 318.461 3.058 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000092066967 1082434088 /nfs/dbraw/zinc/43/40/88/1082434088.db2.gz LESBRXODFAQLNC-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000092066967 1082434093 /nfs/dbraw/zinc/43/40/93/1082434093.db2.gz LESBRXODFAQLNC-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000092066967 1082434096 /nfs/dbraw/zinc/43/40/96/1082434096.db2.gz LESBRXODFAQLNC-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000092066967 1082434098 /nfs/dbraw/zinc/43/40/98/1082434098.db2.gz LESBRXODFAQLNC-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001207275068 1082482313 /nfs/dbraw/zinc/48/23/13/1082482313.db2.gz JJUCQXUHLPIDBV-UHFFFAOYSA-N 2 2 303.494 3.013 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001267208094 1082639511 /nfs/dbraw/zinc/63/95/11/1082639511.db2.gz WEFVLSXDDGGESK-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001267208094 1082639515 /nfs/dbraw/zinc/63/95/15/1082639515.db2.gz WEFVLSXDDGGESK-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]C/C=C/c2ccccc2)c(C)[nH+]1 ZINC001131560688 1082687733 /nfs/dbraw/zinc/68/77/33/1082687733.db2.gz ZQNYWDJTVLWZRB-JXMROGBWSA-N 2 2 323.440 3.040 20 0 DGADLP C[C@H](Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)[C@H]1C[NH2+]CCO1 ZINC001170571805 1082690726 /nfs/dbraw/zinc/69/07/26/1082690726.db2.gz FNCPFSKAURJROW-SCLBCKFNSA-N 2 2 322.412 3.019 20 0 DGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(OC(F)(F)F)c1 ZINC001143462258 1082930703 /nfs/dbraw/zinc/93/07/03/1082930703.db2.gz FSYCWOBMIVBMLD-UHFFFAOYSA-N 2 2 316.367 3.420 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(OC(F)(F)F)c1 ZINC001143462258 1082930707 /nfs/dbraw/zinc/93/07/07/1082930707.db2.gz FSYCWOBMIVBMLD-UHFFFAOYSA-N 2 2 316.367 3.420 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CC[C@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001207402310 1082991014 /nfs/dbraw/zinc/99/10/14/1082991014.db2.gz YFKIVPVETZOYHV-QGZVFWFLSA-N 2 2 308.416 3.453 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CC[C@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001207402310 1082991019 /nfs/dbraw/zinc/99/10/19/1082991019.db2.gz YFKIVPVETZOYHV-QGZVFWFLSA-N 2 2 308.416 3.453 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CC[C@@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001207402309 1082991174 /nfs/dbraw/zinc/99/11/74/1082991174.db2.gz YFKIVPVETZOYHV-KRWDZBQOSA-N 2 2 308.416 3.453 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccccc3)C(F)(F)C2)CC1 ZINC001207402309 1082991179 /nfs/dbraw/zinc/99/11/79/1082991179.db2.gz YFKIVPVETZOYHV-KRWDZBQOSA-N 2 2 308.416 3.453 20 0 DGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659668 1083057860 /nfs/dbraw/zinc/05/78/60/1083057860.db2.gz RCCLTTFJWXDIPO-KRWDZBQOSA-N 2 2 316.395 3.283 20 0 DGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659668 1083057867 /nfs/dbraw/zinc/05/78/67/1083057867.db2.gz RCCLTTFJWXDIPO-KRWDZBQOSA-N 2 2 316.395 3.283 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001170678174 1083097413 /nfs/dbraw/zinc/09/74/13/1083097413.db2.gz WLYRZGKUSDQSOI-CABCVRRESA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001170678174 1083097419 /nfs/dbraw/zinc/09/74/19/1083097419.db2.gz WLYRZGKUSDQSOI-CABCVRRESA-N 2 2 306.400 3.039 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000689794097 1083352746 /nfs/dbraw/zinc/35/27/46/1083352746.db2.gz NQNAMMVHURKPCC-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000689794097 1083352748 /nfs/dbraw/zinc/35/27/48/1083352748.db2.gz NQNAMMVHURKPCC-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001182357016 1083700549 /nfs/dbraw/zinc/70/05/49/1083700549.db2.gz QPTGYDRTHJEJPU-OWCLPIDISA-N 2 2 318.461 3.484 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001182917923 1083840430 /nfs/dbraw/zinc/84/04/30/1083840430.db2.gz FJMMARHLIXFVHE-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001182917923 1083840432 /nfs/dbraw/zinc/84/04/32/1083840432.db2.gz FJMMARHLIXFVHE-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001167786410 1083939410 /nfs/dbraw/zinc/93/94/10/1083939410.db2.gz PWBUKCQKRDOMDG-UHFFFAOYSA-N 2 2 321.306 3.479 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(OC)cc1Cl ZINC001205281040 1084024060 /nfs/dbraw/zinc/02/40/60/1084024060.db2.gz OLMNCUOUSXEKFB-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OC)cc1Cl ZINC001205281040 1084024067 /nfs/dbraw/zinc/02/40/67/1084024067.db2.gz OLMNCUOUSXEKFB-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@H]1Cc2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc2O1 ZINC001183865187 1084057228 /nfs/dbraw/zinc/05/72/28/1084057228.db2.gz QBZWXMCPBLSLFW-HNNXBMFYSA-N 2 2 323.440 3.482 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC001204668432 1084136549 /nfs/dbraw/zinc/13/65/49/1084136549.db2.gz XDPLMSYIYVNYBD-UHFFFAOYSA-N 2 2 310.441 3.369 20 0 DGADLP Cc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC001204668432 1084136554 /nfs/dbraw/zinc/13/65/54/1084136554.db2.gz XDPLMSYIYVNYBD-UHFFFAOYSA-N 2 2 310.441 3.369 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167836200 1084162177 /nfs/dbraw/zinc/16/21/77/1084162177.db2.gz XIDYRSFLVMNYSR-OAHLLOKOSA-N 2 2 313.486 3.007 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167836200 1084162181 /nfs/dbraw/zinc/16/21/81/1084162181.db2.gz XIDYRSFLVMNYSR-OAHLLOKOSA-N 2 2 313.486 3.007 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1 ZINC001184337338 1084162617 /nfs/dbraw/zinc/16/26/17/1084162617.db2.gz FUCWZHVRJDTGNO-ROUUACIJSA-N 2 2 320.477 3.201 20 0 DGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001481823327 1084650610 /nfs/dbraw/zinc/65/06/10/1084650610.db2.gz DGNOLXOBLLLSMF-CQSZACIVSA-N 2 2 316.449 3.097 20 0 DGADLP [NH3+]CC[C@@H]1C[N@H+](Cc2sccc2Oc2ccccc2)CCO1 ZINC001204756636 1086166647 /nfs/dbraw/zinc/16/66/47/1086166647.db2.gz RBYIQGMTISTEIO-OAHLLOKOSA-N 2 2 318.442 3.090 20 0 DGADLP [NH3+]CC[C@@H]1C[N@@H+](Cc2sccc2Oc2ccccc2)CCO1 ZINC001204756636 1086166650 /nfs/dbraw/zinc/16/66/50/1086166650.db2.gz RBYIQGMTISTEIO-OAHLLOKOSA-N 2 2 318.442 3.090 20 0 DGADLP CCC1([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)COC1 ZINC001168014443 1086270211 /nfs/dbraw/zinc/27/02/11/1086270211.db2.gz LGGKGZLLFTZYCY-HOTGVXAUSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC([N@H+](C)C2(C)COC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061441 1086641341 /nfs/dbraw/zinc/64/13/41/1086641341.db2.gz ILDWKQPFHVLWTR-HZPDHXFCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1CC([N@@H+](C)C2(C)COC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061441 1086641343 /nfs/dbraw/zinc/64/13/43/1086641343.db2.gz ILDWKQPFHVLWTR-HZPDHXFCSA-N 2 2 302.462 3.149 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CC[C@H](C)F)C(C)C)c(C)[nH+]1 ZINC001482544075 1086838096 /nfs/dbraw/zinc/83/80/96/1086838096.db2.gz XMZZUPSKPYDMCJ-BBRMVZONSA-N 2 2 323.456 3.099 20 0 DGADLP CC[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001088350797 1086846537 /nfs/dbraw/zinc/84/65/37/1086846537.db2.gz IUMBDIONHNQFFU-INIZCTEOSA-N 2 2 303.450 3.001 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001168168377 1087011053 /nfs/dbraw/zinc/01/10/53/1087011053.db2.gz RRWWJZXPMJORHG-PBHICJAKSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001168168377 1087011057 /nfs/dbraw/zinc/01/10/57/1087011057.db2.gz RRWWJZXPMJORHG-PBHICJAKSA-N 2 2 322.880 3.114 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168231151 1087062682 /nfs/dbraw/zinc/06/26/82/1087062682.db2.gz OQJLWPHNHMLFDF-SFHVURJKSA-N 2 2 319.408 3.138 20 0 DGADLP Cc1nc2ccccn2c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001648985789 1087068771 /nfs/dbraw/zinc/06/87/71/1087068771.db2.gz JJQKAEVWPNMSJH-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP [NH3+]Cc1cnn(-c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)c1 ZINC001168259968 1087077356 /nfs/dbraw/zinc/07/73/56/1087077356.db2.gz VXCIPHRLGXYQHI-UHFFFAOYSA-N 2 2 323.787 3.299 20 0 DGADLP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168356426 1087319895 /nfs/dbraw/zinc/31/98/95/1087319895.db2.gz RQJSCQJSCSUDML-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP Fc1ccc2c(c1)OCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363007 1087373709 /nfs/dbraw/zinc/37/37/09/1087373709.db2.gz PEEKUEOIRUHWPS-QGZVFWFLSA-N 2 2 304.409 3.113 20 0 DGADLP Fc1ccc2c(c1)OCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363006 1087373735 /nfs/dbraw/zinc/37/37/35/1087373735.db2.gz PEEKUEOIRUHWPS-KRWDZBQOSA-N 2 2 304.409 3.113 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001483250775 1087450283 /nfs/dbraw/zinc/45/02/83/1087450283.db2.gz WRCCDCYRYGRYBP-AWEZNQCLSA-N 2 2 305.466 3.151 20 0 DGADLP COc1cccc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)c1OC ZINC001168388654 1087548648 /nfs/dbraw/zinc/54/86/48/1087548648.db2.gz DQFXUZQEMPCHNT-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)c1OC ZINC001168388654 1087548650 /nfs/dbraw/zinc/54/86/50/1087548650.db2.gz DQFXUZQEMPCHNT-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168408758 1087570563 /nfs/dbraw/zinc/57/05/63/1087570563.db2.gz XEDKDSXIVCDYKB-DNVCBOLYSA-N 2 2 304.453 3.393 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001168415009 1087589642 /nfs/dbraw/zinc/58/96/42/1087589642.db2.gz LJYXCSWQTRNVPB-ZWKOTPCHSA-N 2 2 302.437 3.290 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001168415009 1087589644 /nfs/dbraw/zinc/58/96/44/1087589644.db2.gz LJYXCSWQTRNVPB-ZWKOTPCHSA-N 2 2 302.437 3.290 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1C(F)(F)F ZINC001205109687 1087935036 /nfs/dbraw/zinc/93/50/36/1087935036.db2.gz JIHYZPBGCKKSSB-GFCCVEGCSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1C(F)(F)F ZINC001205109687 1087935057 /nfs/dbraw/zinc/93/50/57/1087935057.db2.gz JIHYZPBGCKKSSB-GFCCVEGCSA-N 2 2 302.340 3.027 20 0 DGADLP Fc1ccc(COc2ccc[nH+]c2NCC[C@H]2CCC[NH2+]2)cc1 ZINC001158626873 1087947284 /nfs/dbraw/zinc/94/72/84/1087947284.db2.gz GZMQFMWGEMQDHW-MRXNPFEDSA-N 2 2 315.392 3.354 20 0 DGADLP Cc1nc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c(C)c(C)[nH+]1 ZINC001159018170 1088140528 /nfs/dbraw/zinc/14/05/28/1088140528.db2.gz PZCPJOAZDGXYLQ-UHFFFAOYSA-N 2 2 322.456 3.043 20 0 DGADLP c1c[nH+]c(N2CCCCC2)c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159167015 1088215509 /nfs/dbraw/zinc/21/55/09/1088215509.db2.gz GOLHILSVLQWBHR-UHFFFAOYSA-N 2 2 308.429 3.461 20 0 DGADLP Nc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001159282317 1088267861 /nfs/dbraw/zinc/26/78/61/1088267861.db2.gz ROHYDSDAFWNBPT-MSOLQXFVSA-N 2 2 306.413 3.397 20 0 DGADLP Nc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c1 ZINC001159288221 1088272538 /nfs/dbraw/zinc/27/25/38/1088272538.db2.gz OUBWHBNHVBPJMI-NNZMDNLPSA-N 2 2 308.429 3.271 20 0 DGADLP Nc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c1 ZINC001159288221 1088272553 /nfs/dbraw/zinc/27/25/53/1088272553.db2.gz OUBWHBNHVBPJMI-NNZMDNLPSA-N 2 2 308.429 3.271 20 0 DGADLP [NH3+]C1CCN(c2ccc(NC=CCc3ccccc3)c[nH+]2)CC1 ZINC001159321336 1088291521 /nfs/dbraw/zinc/29/15/21/1088291521.db2.gz JEBBQHBEAVOHRL-UUILKARUSA-N 2 2 308.429 3.177 20 0 DGADLP Cc1ccc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)cc1C ZINC001159333362 1088301682 /nfs/dbraw/zinc/30/16/82/1088301682.db2.gz FKSFHOISRNBIIS-UHFFFAOYSA-N 2 2 310.445 3.418 20 0 DGADLP Cc1cc[nH+]c(C(C)C)c1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001159416664 1088343121 /nfs/dbraw/zinc/34/31/21/1088343121.db2.gz FOGZGMBNWCVPDU-UHFFFAOYSA-N 2 2 311.433 3.062 20 0 DGADLP c1cn(-c2cccc(Nc3cccc(N4CC[NH2+]CC4)c3)c2)c[nH+]1 ZINC001159461436 1088357290 /nfs/dbraw/zinc/35/72/90/1088357290.db2.gz USNJZUVCDPFYNF-UHFFFAOYSA-N 2 2 319.412 3.026 20 0 DGADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159922010 1088553583 /nfs/dbraw/zinc/55/35/83/1088553583.db2.gz GETGOSUZEVFKNB-QGZVFWFLSA-N 2 2 324.428 3.166 20 0 DGADLP Fc1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001160141890 1088667549 /nfs/dbraw/zinc/66/75/49/1088667549.db2.gz PXSPDAQDHLPSCP-GFCCVEGCSA-N 2 2 312.348 3.186 20 0 DGADLP c1[nH]c2c(cccc2Nc2ccccc2O[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001160232616 1088712313 /nfs/dbraw/zinc/71/23/13/1088712313.db2.gz BNELNXRBCAJYMS-CYBMUJFWSA-N 2 2 308.385 3.437 20 0 DGADLP c1[nH]c2c(cccc2Nc2ccccc2O[C@H]2CCC[NH2+]C2)[nH+]1 ZINC001160232617 1088713461 /nfs/dbraw/zinc/71/34/61/1088713461.db2.gz BNELNXRBCAJYMS-ZDUSSCGKSA-N 2 2 308.385 3.437 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1NCC1CC1 ZINC001160465259 1088819128 /nfs/dbraw/zinc/81/91/28/1088819128.db2.gz HKTLOSJXOJKKHJ-PHZGNYQRSA-N 2 2 315.465 3.034 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1NCC1CC1 ZINC001160465259 1088819148 /nfs/dbraw/zinc/81/91/48/1088819148.db2.gz HKTLOSJXOJKKHJ-PHZGNYQRSA-N 2 2 315.465 3.034 20 0 DGADLP CCCCCC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160533642 1088857616 /nfs/dbraw/zinc/85/76/16/1088857616.db2.gz ALZYQSKZRLJXPS-QGZVFWFLSA-N 2 2 322.497 3.147 20 0 DGADLP CC[C@H](C)c1nc2[nH]ccc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155063185 1088923978 /nfs/dbraw/zinc/92/39/78/1088923978.db2.gz NMNWNOLQHQADBO-LBPRGKRZSA-N 2 2 324.432 3.124 20 0 DGADLP COc1ccc2c(C)cc(-n3c[nH+]cc3C3CC[NH2+]CC3)nc2c1 ZINC001155057284 1088925053 /nfs/dbraw/zinc/92/50/53/1088925053.db2.gz CCPSANKRJZIKDE-UHFFFAOYSA-N 2 2 322.412 3.205 20 0 DGADLP CCSc1cc[nH+]c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155391151 1089089284 /nfs/dbraw/zinc/08/92/84/1089089284.db2.gz WMISEPQNTVAVOM-CQSZACIVSA-N 2 2 321.490 3.154 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3cccc4[nH+]c[nH]c43)cc2)CC1 ZINC001213030588 1089137538 /nfs/dbraw/zinc/13/75/38/1089137538.db2.gz GVENYDDRVSNFJA-UHFFFAOYSA-N 2 2 321.428 3.448 20 0 DGADLP CSc1cc[nH+]c(NC2CC[NH+](CC3CCOCC3)CC2)c1 ZINC001161214551 1089155251 /nfs/dbraw/zinc/15/52/51/1089155251.db2.gz AXSGLYANGIYBAH-UHFFFAOYSA-N 2 2 321.490 3.106 20 0 DGADLP C[NH+]1CCN(c2cccc(Nc3cccc4[nH+]c[nH]c43)c2)CC1 ZINC001213031493 1089169330 /nfs/dbraw/zinc/16/93/30/1089169330.db2.gz CEFVMZSZRDBZGL-UHFFFAOYSA-N 2 2 307.401 3.058 20 0 DGADLP Clc1ccc2c(cc[nH+]c2N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001155618182 1089188331 /nfs/dbraw/zinc/18/83/31/1089188331.db2.gz LMCBMVYGQCHMJS-PBHICJAKSA-N 2 2 317.820 3.211 20 0 DGADLP Cc1cc(Cl)c(C)c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]1 ZINC001155826773 1089258754 /nfs/dbraw/zinc/25/87/54/1089258754.db2.gz RQOQSRIRPMLAFZ-GOEBONIOSA-N 2 2 309.841 3.065 20 0 DGADLP Cc1cc(N2CC[NH2+]C[C@H]2c2cccs2)nc(C(C)C)[nH+]1 ZINC001156112284 1089391963 /nfs/dbraw/zinc/39/19/63/1089391963.db2.gz YENWBOAXBKMCMT-ZDUSSCGKSA-N 2 2 302.447 3.121 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](CC[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001484533300 1089470240 /nfs/dbraw/zinc/47/02/40/1089470240.db2.gz UDMRIGQMHFLEJU-KRWDZBQOSA-N 2 2 317.477 3.105 20 0 DGADLP CCOC(=O)c1c(C)cc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]c1C ZINC001156389405 1089501799 /nfs/dbraw/zinc/50/17/99/1089501799.db2.gz PGZVMMPPIDXGCC-HNNXBMFYSA-N 2 2 319.449 3.019 20 0 DGADLP CCOC(=O)c1c(C)cc(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]c1C ZINC001156389405 1089501804 /nfs/dbraw/zinc/50/18/04/1089501804.db2.gz PGZVMMPPIDXGCC-HNNXBMFYSA-N 2 2 319.449 3.019 20 0 DGADLP Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]c1C ZINC001156389183 1089501963 /nfs/dbraw/zinc/50/19/63/1089501963.db2.gz MLQYRNQQOFCOIF-UHFFFAOYSA-N 2 2 311.429 3.143 20 0 DGADLP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cccc2OCc2ccccc2F)C1 ZINC001162396443 1089712239 /nfs/dbraw/zinc/71/22/39/1089712239.db2.gz ZXXVHJWRMZHRPD-GJZGRUSLSA-N 2 2 315.392 3.482 20 0 DGADLP COc1cccc2[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)ccc21 ZINC001162578962 1089804074 /nfs/dbraw/zinc/80/40/74/1089804074.db2.gz BCIJQGKGLCQKHZ-KRWDZBQOSA-N 2 2 303.381 3.137 20 0 DGADLP C[C@H]([NH3+])c1nc2ccccc2n1-c1cccc(-c2c[nH+]cn2C)c1 ZINC001162776996 1089950664 /nfs/dbraw/zinc/95/06/64/1089950664.db2.gz IFTMSRXLBFFNIK-ZDUSSCGKSA-N 2 2 317.396 3.446 20 0 DGADLP c1ccn(-c2ccc(NCc3ccc4c(c3)CC[NH2+]C4)[nH+]c2)c1 ZINC001162802770 1089962996 /nfs/dbraw/zinc/96/29/96/1089962996.db2.gz PQFHHPDSIXDLIS-UHFFFAOYSA-N 2 2 304.397 3.130 20 0 DGADLP c1cn(Cc2ccc(NCc3ccc4c(c3)CC[NH2+]C4)cc2)c[nH+]1 ZINC001162810365 1089967182 /nfs/dbraw/zinc/96/71/82/1089967182.db2.gz QBDDXOLVHHIUKK-UHFFFAOYSA-N 2 2 318.424 3.189 20 0 DGADLP COc1ccc2c(cc[nH+]c2NCC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001162809589 1089969301 /nfs/dbraw/zinc/96/93/01/1089969301.db2.gz BJTINEZKVCRODC-CYBMUJFWSA-N 2 2 321.371 3.290 20 0 DGADLP Fc1ccc2c[nH+]c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cc2c1 ZINC001163056924 1090065524 /nfs/dbraw/zinc/06/55/24/1090065524.db2.gz WEPJZQMKNXNDEX-CQSZACIVSA-N 2 2 324.403 3.397 20 0 DGADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001163311662 1090148083 /nfs/dbraw/zinc/14/80/83/1090148083.db2.gz JSHMIQYHMTXFNL-OAHLLOKOSA-N 2 2 324.472 3.360 20 0 DGADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001163311662 1090148086 /nfs/dbraw/zinc/14/80/86/1090148086.db2.gz JSHMIQYHMTXFNL-OAHLLOKOSA-N 2 2 324.472 3.360 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc1NC(C)C ZINC001163358584 1090162583 /nfs/dbraw/zinc/16/25/83/1090162583.db2.gz UYLQTPZFLVJZTL-LSDHHAIUSA-N 2 2 305.470 3.136 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1NC(C)C ZINC001163358584 1090162585 /nfs/dbraw/zinc/16/25/85/1090162585.db2.gz UYLQTPZFLVJZTL-LSDHHAIUSA-N 2 2 305.470 3.136 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C[NH2+]CC(C)C)C2CC2)c(C)[nH+]1 ZINC001485819964 1090357363 /nfs/dbraw/zinc/35/73/63/1090357363.db2.gz NGYIIWFGKBKJES-KRWDZBQOSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc2c(ccnc2NCC2([NH+](C)C)CC[NH+](C)CC2)s1 ZINC001164207491 1090372184 /nfs/dbraw/zinc/37/21/84/1090372184.db2.gz YKIXNQNPIUHNMI-UHFFFAOYSA-N 2 2 318.490 3.043 20 0 DGADLP CCCN(CCC)c1cc(N2CCC[C@@](C)(C[NH3+])CC2)nc[nH+]1 ZINC001164246929 1090385833 /nfs/dbraw/zinc/38/58/33/1090385833.db2.gz DVBUAJJLXZKTOY-GOSISDBHSA-N 2 2 319.497 3.058 20 0 DGADLP CCCN(CCC)c1cc(N2CCC[C@@](C)(C[NH3+])CC2)[nH+]cn1 ZINC001164246929 1090385840 /nfs/dbraw/zinc/38/58/40/1090385840.db2.gz DVBUAJJLXZKTOY-GOSISDBHSA-N 2 2 319.497 3.058 20 0 DGADLP Cc1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164625047 1090449837 /nfs/dbraw/zinc/44/98/37/1090449837.db2.gz GOZRPKNHQUGKSD-QGZVFWFLSA-N 2 2 324.472 3.103 20 0 DGADLP Cc1c[nH+]c(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cc1C ZINC001165083102 1090461916 /nfs/dbraw/zinc/46/19/16/1090461916.db2.gz VQOUZRXWNULXAN-OALUTQOASA-N 2 2 307.441 3.409 20 0 DGADLP Cc1c[nH+]c(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)cc1C ZINC001165083102 1090461920 /nfs/dbraw/zinc/46/19/20/1090461920.db2.gz VQOUZRXWNULXAN-OALUTQOASA-N 2 2 307.441 3.409 20 0 DGADLP CC(C)(C)c1ccc(N2CCC(C)([NH+]3CCOCC3)CC2)[nH+]c1 ZINC001165135273 1090469811 /nfs/dbraw/zinc/46/98/11/1090469811.db2.gz DUFDSYVDBRLEDB-UHFFFAOYSA-N 2 2 317.477 3.070 20 0 DGADLP CC[C@@H](c1ccccc1)N(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165160932 1090473036 /nfs/dbraw/zinc/47/30/36/1090473036.db2.gz XYLDIXRBACLLFJ-SFHVURJKSA-N 2 2 324.472 3.421 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1NCC1CC[NH+](C(C)C)CC1 ZINC001166615820 1090629791 /nfs/dbraw/zinc/62/97/91/1090629791.db2.gz MLHCDIOZZZSPMX-UHFFFAOYSA-N 2 2 318.465 3.203 20 0 DGADLP Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC001203736421 1090792895 /nfs/dbraw/zinc/79/28/95/1090792895.db2.gz PRDUDGZVRZLGPW-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1C ZINC001203894504 1090830799 /nfs/dbraw/zinc/83/07/99/1090830799.db2.gz IQMXRYAVCFNJGB-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c2ccccc12 ZINC001203996904 1090862670 /nfs/dbraw/zinc/86/26/70/1090862670.db2.gz JVMVLJINGFLJDQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c2ccccc12 ZINC001203996904 1090862678 /nfs/dbraw/zinc/86/26/78/1090862678.db2.gz JVMVLJINGFLJDQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c2ccccc12 ZINC001203996904 1090862688 /nfs/dbraw/zinc/86/26/88/1090862688.db2.gz JVMVLJINGFLJDQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c2ccccc12 ZINC001203996904 1090862697 /nfs/dbraw/zinc/86/26/97/1090862697.db2.gz JVMVLJINGFLJDQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001204014782 1090869472 /nfs/dbraw/zinc/86/94/72/1090869472.db2.gz OIYJKQAMVGHZFD-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001204014782 1090869478 /nfs/dbraw/zinc/86/94/78/1090869478.db2.gz OIYJKQAMVGHZFD-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC001204014782 1090869486 /nfs/dbraw/zinc/86/94/86/1090869486.db2.gz OIYJKQAMVGHZFD-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC001204014782 1090869494 /nfs/dbraw/zinc/86/94/94/1090869494.db2.gz OIYJKQAMVGHZFD-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204176004 1090914148 /nfs/dbraw/zinc/91/41/48/1090914148.db2.gz KFVARGHVMXBFIU-SFTDATJTSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204176003 1090914365 /nfs/dbraw/zinc/91/43/65/1090914365.db2.gz KFVARGHVMXBFIU-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204176003 1090914366 /nfs/dbraw/zinc/91/43/66/1090914366.db2.gz KFVARGHVMXBFIU-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204176003 1090914370 /nfs/dbraw/zinc/91/43/70/1090914370.db2.gz KFVARGHVMXBFIU-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204176003 1090914375 /nfs/dbraw/zinc/91/43/75/1090914375.db2.gz KFVARGHVMXBFIU-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP C[N@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001204423871 1090966652 /nfs/dbraw/zinc/96/66/52/1090966652.db2.gz PNIYEDBFKZWNFQ-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001204423871 1090966657 /nfs/dbraw/zinc/96/66/57/1090966657.db2.gz PNIYEDBFKZWNFQ-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)CCO2 ZINC001204491476 1090981823 /nfs/dbraw/zinc/98/18/23/1090981823.db2.gz MUTVZBZIEYPXPV-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)CCO2 ZINC001204491476 1090981825 /nfs/dbraw/zinc/98/18/25/1090981825.db2.gz MUTVZBZIEYPXPV-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001168719376 1090988390 /nfs/dbraw/zinc/98/83/90/1090988390.db2.gz WWQOZMVDYMZPNP-INIZCTEOSA-N 2 2 304.865 3.367 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001204525476 1090991897 /nfs/dbraw/zinc/99/18/97/1090991897.db2.gz DLRAUJOYOASFBJ-HXUWFJFHSA-N 2 2 316.489 3.379 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001204525476 1090991904 /nfs/dbraw/zinc/99/19/04/1090991904.db2.gz DLRAUJOYOASFBJ-HXUWFJFHSA-N 2 2 316.489 3.379 20 0 DGADLP CCCCCCOc1ccccc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756333 1091031563 /nfs/dbraw/zinc/03/15/63/1091031563.db2.gz NLKFROFHSJVUGZ-GOSISDBHSA-N 2 2 320.477 3.195 20 0 DGADLP CCCCCCOc1ccccc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204756333 1091031568 /nfs/dbraw/zinc/03/15/68/1091031568.db2.gz NLKFROFHSJVUGZ-GOSISDBHSA-N 2 2 320.477 3.195 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204792707 1091037474 /nfs/dbraw/zinc/03/74/74/1091037474.db2.gz YYZJKOQIQWGJFR-FQEVSTJZSA-N 2 2 310.441 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204792707 1091037481 /nfs/dbraw/zinc/03/74/81/1091037481.db2.gz YYZJKOQIQWGJFR-FQEVSTJZSA-N 2 2 310.441 3.497 20 0 DGADLP CNc1ccc(Nc2c[nH+]c3ccc(Br)cn23)c[nH+]1 ZINC001203448596 1091041695 /nfs/dbraw/zinc/04/16/95/1091041695.db2.gz BLHUBGVTVFQHMN-UHFFFAOYSA-N 2 2 318.178 3.277 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001204895709 1091057212 /nfs/dbraw/zinc/05/72/12/1091057212.db2.gz BIENZBFKEUHGGQ-KRWDZBQOSA-N 2 2 321.896 3.303 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001204925257 1091063818 /nfs/dbraw/zinc/06/38/18/1091063818.db2.gz OKJRMVJNCWLKAC-ZDUSSCGKSA-N 2 2 322.250 3.244 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001204925257 1091063824 /nfs/dbraw/zinc/06/38/24/1091063824.db2.gz OKJRMVJNCWLKAC-ZDUSSCGKSA-N 2 2 322.250 3.244 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109130 1091104893 /nfs/dbraw/zinc/10/48/93/1091104893.db2.gz BFQXEZBBVCHAHU-CYBMUJFWSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109130 1091104896 /nfs/dbraw/zinc/10/48/96/1091104896.db2.gz BFQXEZBBVCHAHU-CYBMUJFWSA-N 2 2 302.340 3.027 20 0 DGADLP Cc1cn2c(cccc2-c2ccc(OCCC[NH+](C)C)nc2)[nH+]1 ZINC001205225449 1091137410 /nfs/dbraw/zinc/13/74/10/1091137410.db2.gz JMQSLVKIAWJDQQ-UHFFFAOYSA-N 2 2 310.401 3.035 20 0 DGADLP Cc1cc2[nH+]ccn2cc1-c1ccc(OCCC[NH+](C)C)nc1 ZINC001205233571 1091141682 /nfs/dbraw/zinc/14/16/82/1091141682.db2.gz ULXYLDPLJAPJCM-UHFFFAOYSA-N 2 2 310.401 3.035 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2OC(F)(F)F)CC1 ZINC001205265718 1091156778 /nfs/dbraw/zinc/15/67/78/1091156778.db2.gz QWHTXSPIDMWJOI-AWEZNQCLSA-N 2 2 302.340 3.289 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2OC(F)(F)F)CC1 ZINC001205265718 1091156782 /nfs/dbraw/zinc/15/67/82/1091156782.db2.gz QWHTXSPIDMWJOI-AWEZNQCLSA-N 2 2 302.340 3.289 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC001205317161 1091182269 /nfs/dbraw/zinc/18/22/69/1091182269.db2.gz MWLSWIFTVPIZMH-TZMCWYRMSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC001205317161 1091182275 /nfs/dbraw/zinc/18/22/75/1091182275.db2.gz MWLSWIFTVPIZMH-TZMCWYRMSA-N 2 2 319.449 3.366 20 0 DGADLP COc1cc(C)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001138441403 1091186489 /nfs/dbraw/zinc/18/64/89/1091186489.db2.gz OLQICSIWOWXBFW-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP COc1cc(C)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001138441403 1091186496 /nfs/dbraw/zinc/18/64/96/1091186496.db2.gz OLQICSIWOWXBFW-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001138450525 1091189294 /nfs/dbraw/zinc/18/92/94/1091189294.db2.gz ZYOJLSKISQLWDU-UHFFFAOYSA-N 2 2 310.445 3.055 20 0 DGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205375857 1091204512 /nfs/dbraw/zinc/20/45/12/1091204512.db2.gz ABMMZXYRTUNXFC-LPHOPBHVSA-N 2 2 318.505 3.083 20 0 DGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205375857 1091204526 /nfs/dbraw/zinc/20/45/26/1091204526.db2.gz ABMMZXYRTUNXFC-LPHOPBHVSA-N 2 2 318.505 3.083 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001138544695 1091221923 /nfs/dbraw/zinc/22/19/23/1091221923.db2.gz MXXYRYHPQYKUKO-IRXDYDNUSA-N 2 2 305.372 3.453 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1 ZINC001138544695 1091221934 /nfs/dbraw/zinc/22/19/34/1091221934.db2.gz MXXYRYHPQYKUKO-IRXDYDNUSA-N 2 2 305.372 3.453 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC001138543413 1091223058 /nfs/dbraw/zinc/22/30/58/1091223058.db2.gz NZIYUOYAWUCHQI-UHFFFAOYSA-N 2 2 303.356 3.412 20 0 DGADLP c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc(N2CCCCC2)[nH+]1 ZINC001205544266 1091247293 /nfs/dbraw/zinc/24/72/93/1091247293.db2.gz VXVMNDWTAMABTA-UHFFFAOYSA-N 2 2 322.456 3.149 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632789 1091266724 /nfs/dbraw/zinc/26/67/24/1091266724.db2.gz HDFJSKWXLMTJFB-LJQANCHMSA-N 2 2 313.420 3.144 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632789 1091266735 /nfs/dbraw/zinc/26/67/35/1091266735.db2.gz HDFJSKWXLMTJFB-LJQANCHMSA-N 2 2 313.420 3.144 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632789 1091266746 /nfs/dbraw/zinc/26/67/46/1091266746.db2.gz HDFJSKWXLMTJFB-LJQANCHMSA-N 2 2 313.420 3.144 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccn3-c3ccccc3F)C2)C1 ZINC001138632789 1091266753 /nfs/dbraw/zinc/26/67/53/1091266753.db2.gz HDFJSKWXLMTJFB-LJQANCHMSA-N 2 2 313.420 3.144 20 0 DGADLP COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1C ZINC001138727915 1091304344 /nfs/dbraw/zinc/30/43/44/1091304344.db2.gz XCSKWTRPNFBHLT-SJLPKXTDSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1C ZINC001138727915 1091304354 /nfs/dbraw/zinc/30/43/54/1091304354.db2.gz XCSKWTRPNFBHLT-SJLPKXTDSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c(C)c1C ZINC001138727915 1091304365 /nfs/dbraw/zinc/30/43/65/1091304365.db2.gz XCSKWTRPNFBHLT-SJLPKXTDSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)c1C ZINC001138727915 1091304373 /nfs/dbraw/zinc/30/43/73/1091304373.db2.gz XCSKWTRPNFBHLT-SJLPKXTDSA-N 2 2 302.462 3.146 20 0 DGADLP COC(=[NH2+])c1cccc(-c2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001205672064 1091306972 /nfs/dbraw/zinc/30/69/72/1091306972.db2.gz NMIIJVSNGYVUKV-UHFFFAOYSA-N 2 2 324.424 3.200 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)CCC1(F)F ZINC001205787776 1091348695 /nfs/dbraw/zinc/34/86/95/1091348695.db2.gz IWHSJKKTNDGVSU-CYBMUJFWSA-N 2 2 323.362 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)CCC1(F)F ZINC001205787776 1091348706 /nfs/dbraw/zinc/34/87/06/1091348706.db2.gz IWHSJKKTNDGVSU-CYBMUJFWSA-N 2 2 323.362 3.237 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828214 1091370323 /nfs/dbraw/zinc/37/03/23/1091370323.db2.gz KCIGVERCPCJHHB-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828214 1091370336 /nfs/dbraw/zinc/37/03/36/1091370336.db2.gz KCIGVERCPCJHHB-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP Cc1cnccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001205835744 1091374270 /nfs/dbraw/zinc/37/42/70/1091374270.db2.gz YWIJITVRTHALAQ-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cnccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868103 1091385890 /nfs/dbraw/zinc/38/58/90/1091385890.db2.gz UXLJOBGQGHDWOB-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868103 1091385900 /nfs/dbraw/zinc/38/59/00/1091385900.db2.gz UXLJOBGQGHDWOB-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868103 1091385910 /nfs/dbraw/zinc/38/59/10/1091385910.db2.gz UXLJOBGQGHDWOB-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868103 1091385921 /nfs/dbraw/zinc/38/59/21/1091385921.db2.gz UXLJOBGQGHDWOB-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901086 1091400535 /nfs/dbraw/zinc/40/05/35/1091400535.db2.gz BFACVSZYKJPENT-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901086 1091400540 /nfs/dbraw/zinc/40/05/40/1091400540.db2.gz BFACVSZYKJPENT-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OCC)c1 ZINC001138979687 1091406443 /nfs/dbraw/zinc/40/64/43/1091406443.db2.gz HSSKUNXCKYXIKG-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OCC)c1 ZINC001138979687 1091406446 /nfs/dbraw/zinc/40/64/46/1091406446.db2.gz HSSKUNXCKYXIKG-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(OCC)c1 ZINC001138979687 1091406449 /nfs/dbraw/zinc/40/64/49/1091406449.db2.gz HSSKUNXCKYXIKG-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(OCC)c1 ZINC001138979687 1091406452 /nfs/dbraw/zinc/40/64/52/1091406452.db2.gz HSSKUNXCKYXIKG-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001205929886 1091418444 /nfs/dbraw/zinc/41/84/44/1091418444.db2.gz VLCWXYMPZDCGGM-UHFFFAOYSA-N 2 2 318.424 3.164 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)c2c1 ZINC001205937565 1091421802 /nfs/dbraw/zinc/42/18/02/1091421802.db2.gz AAPINCPPCLRDLL-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCCC[C@H]([NH3+])C3)c2c1 ZINC001205937565 1091421805 /nfs/dbraw/zinc/42/18/05/1091421805.db2.gz AAPINCPPCLRDLL-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205981783 1091435987 /nfs/dbraw/zinc/43/59/87/1091435987.db2.gz HDLUYPCLYPOULM-DTWKUNHWSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205981783 1091435989 /nfs/dbraw/zinc/43/59/89/1091435989.db2.gz HDLUYPCLYPOULM-DTWKUNHWSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206036646 1091462836 /nfs/dbraw/zinc/46/28/36/1091462836.db2.gz NFBXRAMHVWUYNW-NXEZZACHSA-N 2 2 318.795 3.131 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206036646 1091462841 /nfs/dbraw/zinc/46/28/41/1091462841.db2.gz NFBXRAMHVWUYNW-NXEZZACHSA-N 2 2 318.795 3.131 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206050028 1091471629 /nfs/dbraw/zinc/47/16/29/1091471629.db2.gz XZROIHPFBGINKV-OXQOHEQNSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206050028 1091471639 /nfs/dbraw/zinc/47/16/39/1091471639.db2.gz XZROIHPFBGINKV-OXQOHEQNSA-N 2 2 310.441 3.435 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139183458 1091478323 /nfs/dbraw/zinc/47/83/23/1091478323.db2.gz LYMUMCJULLTZNN-UHFFFAOYSA-N 2 2 324.266 3.314 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139183458 1091478328 /nfs/dbraw/zinc/47/83/28/1091478328.db2.gz LYMUMCJULLTZNN-UHFFFAOYSA-N 2 2 324.266 3.314 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2nonc2c1 ZINC001139223747 1091494424 /nfs/dbraw/zinc/49/44/24/1091494424.db2.gz YOVAQPNPFQIVRY-UHFFFAOYSA-N 2 2 319.368 3.041 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2nonc2c1 ZINC001139223747 1091494428 /nfs/dbraw/zinc/49/44/28/1091494428.db2.gz YOVAQPNPFQIVRY-UHFFFAOYSA-N 2 2 319.368 3.041 20 0 DGADLP c1cn2c([nH+]1)CC[N@@H+](Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC001139247451 1091500213 /nfs/dbraw/zinc/50/02/13/1091500213.db2.gz FIAIMWCQNIEYBM-UHFFFAOYSA-N 2 2 320.396 3.129 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206175214 1091522887 /nfs/dbraw/zinc/52/28/87/1091522887.db2.gz SLLKRQOGAVBNSC-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206175214 1091522894 /nfs/dbraw/zinc/52/28/94/1091522894.db2.gz SLLKRQOGAVBNSC-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3Cc3ccccn3)cc2)c[nH+]1 ZINC001139360430 1091534280 /nfs/dbraw/zinc/53/42/80/1091534280.db2.gz VGBGSGFRDUNVHH-FQEVSTJZSA-N 2 2 318.424 3.474 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3Cc3ccccn3)cc2)c[nH+]1 ZINC001139360430 1091534287 /nfs/dbraw/zinc/53/42/87/1091534287.db2.gz VGBGSGFRDUNVHH-FQEVSTJZSA-N 2 2 318.424 3.474 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1Cc2ccccc2O1 ZINC001139363818 1091536557 /nfs/dbraw/zinc/53/65/57/1091536557.db2.gz KHGJXKUXVXMNBM-LJQANCHMSA-N 2 2 319.408 3.308 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1Cc2ccccc2O1 ZINC001139363818 1091536563 /nfs/dbraw/zinc/53/65/63/1091536563.db2.gz KHGJXKUXVXMNBM-LJQANCHMSA-N 2 2 319.408 3.308 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c2c(OC)cccc12 ZINC001206257429 1091553280 /nfs/dbraw/zinc/55/32/80/1091553280.db2.gz FAZACKXFNXKFRK-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)c2c(OC)cccc12 ZINC001206257429 1091553289 /nfs/dbraw/zinc/55/32/89/1091553289.db2.gz FAZACKXFNXKFRK-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001206276242 1091560602 /nfs/dbraw/zinc/56/06/02/1091560602.db2.gz CTSLPPBLVIQOCM-CQSZACIVSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001206276242 1091560611 /nfs/dbraw/zinc/56/06/11/1091560611.db2.gz CTSLPPBLVIQOCM-CQSZACIVSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001206286402 1091564076 /nfs/dbraw/zinc/56/40/76/1091564076.db2.gz UJKKRMIZCSCMQD-HNNXBMFYSA-N 2 2 312.413 3.226 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001206286402 1091564086 /nfs/dbraw/zinc/56/40/86/1091564086.db2.gz UJKKRMIZCSCMQD-HNNXBMFYSA-N 2 2 312.413 3.226 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206352354 1091593929 /nfs/dbraw/zinc/59/39/29/1091593929.db2.gz UZZJIHIXPAXAMV-GOSISDBHSA-N 2 2 308.441 3.374 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206352354 1091593936 /nfs/dbraw/zinc/59/39/36/1091593936.db2.gz UZZJIHIXPAXAMV-GOSISDBHSA-N 2 2 308.441 3.374 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)ccc1C(F)F ZINC001206369737 1091601762 /nfs/dbraw/zinc/60/17/62/1091601762.db2.gz HPQFBMRDLNSHFN-INIZCTEOSA-N 2 2 316.367 3.286 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)ccc1C(F)F ZINC001206369737 1091601766 /nfs/dbraw/zinc/60/17/66/1091601766.db2.gz HPQFBMRDLNSHFN-INIZCTEOSA-N 2 2 316.367 3.286 20 0 DGADLP Nc1cc(Nc2cc[nH+]c3ccc(Br)cc23)cc[nH+]1 ZINC001206527825 1091660175 /nfs/dbraw/zinc/66/01/75/1091660175.db2.gz GFGRSARXGMLOHL-UHFFFAOYSA-N 2 2 315.174 3.140 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001206550226 1091665154 /nfs/dbraw/zinc/66/51/54/1091665154.db2.gz XWCSDXYSXABZNK-MRXNPFEDSA-N 2 2 310.825 3.020 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001206550226 1091665161 /nfs/dbraw/zinc/66/51/61/1091665161.db2.gz XWCSDXYSXABZNK-MRXNPFEDSA-N 2 2 310.825 3.020 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206549958 1091665445 /nfs/dbraw/zinc/66/54/45/1091665445.db2.gz RYKSJVIHNVIHTO-SFHVURJKSA-N 2 2 317.408 3.432 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206549958 1091665447 /nfs/dbraw/zinc/66/54/47/1091665447.db2.gz RYKSJVIHNVIHTO-SFHVURJKSA-N 2 2 317.408 3.432 20 0 DGADLP COc1ccc(F)c(F)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589997 1091680702 /nfs/dbraw/zinc/68/07/02/1091680702.db2.gz KDJNOMIGEVIQPG-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP COc1ccc(F)c(F)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589997 1091680706 /nfs/dbraw/zinc/68/07/06/1091680706.db2.gz KDJNOMIGEVIQPG-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccccc3C3CC3)CC2)nc(C)[nH+]1 ZINC001139882786 1091702447 /nfs/dbraw/zinc/70/24/47/1091702447.db2.gz UDFCYDLQMYMRET-UHFFFAOYSA-N 2 2 322.456 3.293 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001206736284 1091718400 /nfs/dbraw/zinc/71/84/00/1091718400.db2.gz AHJGYXRSNOYXKP-UHFFFAOYSA-N 2 2 302.462 3.426 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001140029024 1091744261 /nfs/dbraw/zinc/74/42/61/1091744261.db2.gz GWPZFWUAHODIFS-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001140029024 1091744265 /nfs/dbraw/zinc/74/42/65/1091744265.db2.gz GWPZFWUAHODIFS-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001140028398 1091744614 /nfs/dbraw/zinc/74/46/14/1091744614.db2.gz UZVABRIVBRZDCC-MRXNPFEDSA-N 2 2 303.356 3.412 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001140028398 1091744620 /nfs/dbraw/zinc/74/46/20/1091744620.db2.gz UZVABRIVBRZDCC-MRXNPFEDSA-N 2 2 303.356 3.412 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@H](C)C[NH+](C)C)cn2c1 ZINC001206800739 1091746205 /nfs/dbraw/zinc/74/62/05/1091746205.db2.gz MDBHXCLMWUIIAE-SJLPKXTDSA-N 2 2 314.477 3.195 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@H](C)C[NH+](C)C)cn2c1 ZINC001206800739 1091746209 /nfs/dbraw/zinc/74/62/09/1091746209.db2.gz MDBHXCLMWUIIAE-SJLPKXTDSA-N 2 2 314.477 3.195 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140087350 1091763107 /nfs/dbraw/zinc/76/31/07/1091763107.db2.gz METHHSAZOYCHIK-HNNXBMFYSA-N 2 2 318.804 3.402 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140087350 1091763113 /nfs/dbraw/zinc/76/31/13/1091763113.db2.gz METHHSAZOYCHIK-HNNXBMFYSA-N 2 2 318.804 3.402 20 0 DGADLP COc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)ccc1C ZINC001140160257 1091786975 /nfs/dbraw/zinc/78/69/75/1091786975.db2.gz VCQZHGNRTAVRFL-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319307 1091823954 /nfs/dbraw/zinc/82/39/54/1091823954.db2.gz WSPJKIGTZJOLIL-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319307 1091823960 /nfs/dbraw/zinc/82/39/60/1091823960.db2.gz WSPJKIGTZJOLIL-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319307 1091823967 /nfs/dbraw/zinc/82/39/67/1091823967.db2.gz WSPJKIGTZJOLIL-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319307 1091823975 /nfs/dbraw/zinc/82/39/75/1091823975.db2.gz WSPJKIGTZJOLIL-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1-c1nccs1)C2 ZINC001140452426 1091872264 /nfs/dbraw/zinc/87/22/64/1091872264.db2.gz FFICRKOJQMPKLN-CRAIPNDOSA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1-c1nccs1)C2 ZINC001140452426 1091872271 /nfs/dbraw/zinc/87/22/71/1091872271.db2.gz FFICRKOJQMPKLN-CRAIPNDOSA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207281988 1091910481 /nfs/dbraw/zinc/91/04/81/1091910481.db2.gz BDWGHNZOFJAARP-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207281988 1091910491 /nfs/dbraw/zinc/91/04/91/1091910491.db2.gz BDWGHNZOFJAARP-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207281988 1091910499 /nfs/dbraw/zinc/91/04/99/1091910499.db2.gz BDWGHNZOFJAARP-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207281988 1091910510 /nfs/dbraw/zinc/91/05/10/1091910510.db2.gz BDWGHNZOFJAARP-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP Clc1cc(C[NH2+][C@H]2C=CCC2)ccc1OCCn1cc[nH+]c1 ZINC001203055835 1091948707 /nfs/dbraw/zinc/94/87/07/1091948707.db2.gz UCBLTKAAPHHDBS-HNNXBMFYSA-N 2 2 317.820 3.424 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC001140662572 1091950279 /nfs/dbraw/zinc/95/02/79/1091950279.db2.gz ZDEZDPGDDPEGJF-QGZVFWFLSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC001140662572 1091950286 /nfs/dbraw/zinc/95/02/86/1091950286.db2.gz ZDEZDPGDDPEGJF-QGZVFWFLSA-N 2 2 312.413 3.366 20 0 DGADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c(C)c1 ZINC001140673460 1091952161 /nfs/dbraw/zinc/95/21/61/1091952161.db2.gz OJQPIVIQMPUNLJ-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716290606 1091953227 /nfs/dbraw/zinc/95/32/27/1091953227.db2.gz OKXAADQBELOWKI-INIZCTEOSA-N 2 2 312.432 3.478 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140726682 1091977336 /nfs/dbraw/zinc/97/73/36/1091977336.db2.gz RPNMIFDXEQDENH-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140726682 1091977342 /nfs/dbraw/zinc/97/73/42/1091977342.db2.gz RPNMIFDXEQDENH-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140726682 1091977347 /nfs/dbraw/zinc/97/73/47/1091977347.db2.gz RPNMIFDXEQDENH-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140726682 1091977355 /nfs/dbraw/zinc/97/73/55/1091977355.db2.gz RPNMIFDXEQDENH-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP COc1ccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207478045 1091982386 /nfs/dbraw/zinc/98/23/86/1091982386.db2.gz AFZGFJHKJGAIMK-SFHVURJKSA-N 2 2 312.413 3.094 20 0 DGADLP COc1ccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207478045 1091982391 /nfs/dbraw/zinc/98/23/91/1091982391.db2.gz AFZGFJHKJGAIMK-SFHVURJKSA-N 2 2 312.413 3.094 20 0 DGADLP Cc1ccccc1N1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802557 1092005564 /nfs/dbraw/zinc/00/55/64/1092005564.db2.gz YXNNDGAOHKGFAJ-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP Fc1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140802126 1092006817 /nfs/dbraw/zinc/00/68/17/1092006817.db2.gz OAQHYMCYECGEQD-UHFFFAOYSA-N 2 2 310.376 3.024 20 0 DGADLP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000716319199 1092037136 /nfs/dbraw/zinc/03/71/36/1092037136.db2.gz OBOGCYCXTOVSRS-KDOFPFPSSA-N 2 2 310.445 3.416 20 0 DGADLP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000716319199 1092037147 /nfs/dbraw/zinc/03/71/47/1092037147.db2.gz OBOGCYCXTOVSRS-KDOFPFPSSA-N 2 2 310.445 3.416 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001140881948 1092046052 /nfs/dbraw/zinc/04/60/52/1092046052.db2.gz MQBGELKXYTZNKK-UHFFFAOYSA-N 2 2 320.330 3.250 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001140881948 1092046057 /nfs/dbraw/zinc/04/60/57/1092046057.db2.gz MQBGELKXYTZNKK-UHFFFAOYSA-N 2 2 320.330 3.250 20 0 DGADLP C[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001207621707 1092047372 /nfs/dbraw/zinc/04/73/72/1092047372.db2.gz IOHWIGKGJLJNMJ-BFWZDYSYSA-N 2 2 309.542 3.063 20 0 DGADLP C[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001207621707 1092047377 /nfs/dbraw/zinc/04/73/77/1092047377.db2.gz IOHWIGKGJLJNMJ-BFWZDYSYSA-N 2 2 309.542 3.063 20 0 DGADLP C[NH+]1CCC(C2CC[NH+](Cc3ccc(O)c(F)c3F)CC2)CC1 ZINC001140894114 1092054475 /nfs/dbraw/zinc/05/44/75/1092054475.db2.gz QXJSWBWVJYTRBD-UHFFFAOYSA-N 2 2 324.415 3.224 20 0 DGADLP c1cc(-c2ccc3c(C4C[NH+](Cc5cnco5)C4)[nH+]cn3c2)co1 ZINC001140930549 1092067774 /nfs/dbraw/zinc/06/77/74/1092067774.db2.gz QCBGPJZUPWKIFK-UHFFFAOYSA-N 2 2 320.352 3.182 20 0 DGADLP Cc1ncccc1CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207745473 1092087884 /nfs/dbraw/zinc/08/78/84/1092087884.db2.gz OBXKAWQMUFZCQS-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ncccc1CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207745473 1092087893 /nfs/dbraw/zinc/08/78/93/1092087893.db2.gz OBXKAWQMUFZCQS-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP c1cn2ccc(CN3CC[NH+](CC4CCCCC4)CC3)cc2[nH+]1 ZINC001141042434 1092118579 /nfs/dbraw/zinc/11/85/79/1092118579.db2.gz QQKOGZZKMDMIIK-UHFFFAOYSA-N 2 2 312.461 3.032 20 0 DGADLP CCCCc1[nH]cc(CN2CCCC[C@H]2C[NH+]2CCCC2)[nH+]1 ZINC001141069858 1092125268 /nfs/dbraw/zinc/12/52/68/1092125268.db2.gz HABHNHZHYLFYSX-KRWDZBQOSA-N 2 2 304.482 3.203 20 0 DGADLP CCCCc1[nH]c(CN2CCCC[C@H]2C[NH+]2CCCC2)c[nH+]1 ZINC001141069858 1092125275 /nfs/dbraw/zinc/12/52/75/1092125275.db2.gz HABHNHZHYLFYSX-KRWDZBQOSA-N 2 2 304.482 3.203 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001141197614 1092171867 /nfs/dbraw/zinc/17/18/67/1092171867.db2.gz HVALMPMWDQJZNC-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001141197614 1092171873 /nfs/dbraw/zinc/17/18/73/1092171873.db2.gz HVALMPMWDQJZNC-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccc1OC ZINC001141205011 1092175401 /nfs/dbraw/zinc/17/54/01/1092175401.db2.gz ROFADTYDZLDNFF-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccc1OC ZINC001141205011 1092175403 /nfs/dbraw/zinc/17/54/03/1092175403.db2.gz ROFADTYDZLDNFF-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](CCCC4CCCC4)C[C@H]3C2)c1 ZINC001208089062 1092193174 /nfs/dbraw/zinc/19/31/74/1092193174.db2.gz ZOSBGEBFRSCHKW-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](CCCC4CCCC4)C[C@H]3C2)c1 ZINC001208089062 1092193176 /nfs/dbraw/zinc/19/31/76/1092193176.db2.gz ZOSBGEBFRSCHKW-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)c1 ZINC001208089062 1092193182 /nfs/dbraw/zinc/19/31/82/1092193182.db2.gz ZOSBGEBFRSCHKW-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)c1 ZINC001208089062 1092193185 /nfs/dbraw/zinc/19/31/85/1092193185.db2.gz ZOSBGEBFRSCHKW-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3cccnc3cc2F)CC1 ZINC001141629392 1092299672 /nfs/dbraw/zinc/29/96/72/1092299672.db2.gz ZPMZDGCYFJRBRF-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3cccnc3cc2F)CC1 ZINC001141629392 1092299682 /nfs/dbraw/zinc/29/96/82/1092299682.db2.gz ZPMZDGCYFJRBRF-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[N@H+](Cc1ccc2cc(F)ccc2n1)C1CC[NH+](C)CC1 ZINC001141646226 1092306983 /nfs/dbraw/zinc/30/69/83/1092306983.db2.gz JTKMAZNXIQJWKN-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[N@@H+](Cc1ccc2cc(F)ccc2n1)C1CC[NH+](C)CC1 ZINC001141646226 1092306992 /nfs/dbraw/zinc/30/69/92/1092306992.db2.gz JTKMAZNXIQJWKN-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(COC(C)=O)o2)CC1 ZINC001141795825 1092339783 /nfs/dbraw/zinc/33/97/83/1092339783.db2.gz PZSZMXNTMKBPRI-UHFFFAOYSA-N 2 2 322.449 3.039 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(COC(C)=O)o2)CC1 ZINC001141795825 1092339791 /nfs/dbraw/zinc/33/97/91/1092339791.db2.gz PZSZMXNTMKBPRI-UHFFFAOYSA-N 2 2 322.449 3.039 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613895 1092428865 /nfs/dbraw/zinc/42/88/65/1092428865.db2.gz BSMVCHKJYKUCBB-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613895 1092428875 /nfs/dbraw/zinc/42/88/75/1092428875.db2.gz BSMVCHKJYKUCBB-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613895 1092428884 /nfs/dbraw/zinc/42/88/84/1092428884.db2.gz BSMVCHKJYKUCBB-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613895 1092428896 /nfs/dbraw/zinc/42/88/96/1092428896.db2.gz BSMVCHKJYKUCBB-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617485 1092430367 /nfs/dbraw/zinc/43/03/67/1092430367.db2.gz PIYHIQCBFGWYAU-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617485 1092430381 /nfs/dbraw/zinc/43/03/81/1092430381.db2.gz PIYHIQCBFGWYAU-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617485 1092430394 /nfs/dbraw/zinc/43/03/94/1092430394.db2.gz PIYHIQCBFGWYAU-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617485 1092430406 /nfs/dbraw/zinc/43/04/06/1092430406.db2.gz PIYHIQCBFGWYAU-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208650328 1092440132 /nfs/dbraw/zinc/44/01/32/1092440132.db2.gz YYPOMRWATJGTKK-DYVFJYSZSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nccs1 ZINC001168996251 1092477069 /nfs/dbraw/zinc/47/70/69/1092477069.db2.gz QZZPPNXFORXIND-HWWDLCQESA-N 2 2 315.486 3.389 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nccs1 ZINC001168996251 1092477077 /nfs/dbraw/zinc/47/70/77/1092477077.db2.gz QZZPPNXFORXIND-HWWDLCQESA-N 2 2 315.486 3.389 20 0 DGADLP c1c(CCNc2ccc([C@@H]3CCC[NH2+]3)cc2)[nH+]c2ccccn12 ZINC001169005124 1092482474 /nfs/dbraw/zinc/48/24/74/1092482474.db2.gz XNNUDRVMAUDXEX-SFHVURJKSA-N 2 2 306.413 3.413 20 0 DGADLP C[N@@H+]1CC[C@@H](c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)C1 ZINC001169011191 1092488409 /nfs/dbraw/zinc/48/84/09/1092488409.db2.gz PXLYKAVIRYEBAT-QGZVFWFLSA-N 2 2 320.440 3.408 20 0 DGADLP C[N@H+]1CC[C@@H](c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)C1 ZINC001169011191 1092488419 /nfs/dbraw/zinc/48/84/19/1092488419.db2.gz PXLYKAVIRYEBAT-QGZVFWFLSA-N 2 2 320.440 3.408 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001142604109 1092510603 /nfs/dbraw/zinc/51/06/03/1092510603.db2.gz UQXGSJZDBJYWQR-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001142604109 1092510616 /nfs/dbraw/zinc/51/06/16/1092510616.db2.gz UQXGSJZDBJYWQR-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP CCC(=O)C(C)(C)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208917577 1092584761 /nfs/dbraw/zinc/58/47/61/1092584761.db2.gz GVGCBIXUFZWDTB-GASCZTMLSA-N 2 2 320.502 3.117 20 0 DGADLP CCC(=O)C(C)(C)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208917577 1092584770 /nfs/dbraw/zinc/58/47/70/1092584770.db2.gz GVGCBIXUFZWDTB-GASCZTMLSA-N 2 2 320.502 3.117 20 0 DGADLP CCC(=O)C(C)(C)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208917577 1092584780 /nfs/dbraw/zinc/58/47/80/1092584780.db2.gz GVGCBIXUFZWDTB-GASCZTMLSA-N 2 2 320.502 3.117 20 0 DGADLP CCC(=O)C(C)(C)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208917577 1092584788 /nfs/dbraw/zinc/58/47/88/1092584788.db2.gz GVGCBIXUFZWDTB-GASCZTMLSA-N 2 2 320.502 3.117 20 0 DGADLP CC1(C)COCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937473 1092600026 /nfs/dbraw/zinc/60/00/26/1092600026.db2.gz UAPUMUNHUQOAOZ-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)COCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937473 1092600034 /nfs/dbraw/zinc/60/00/34/1092600034.db2.gz UAPUMUNHUQOAOZ-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)COCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937473 1092600040 /nfs/dbraw/zinc/60/00/40/1092600040.db2.gz UAPUMUNHUQOAOZ-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)COCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937473 1092600044 /nfs/dbraw/zinc/60/00/44/1092600044.db2.gz UAPUMUNHUQOAOZ-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@@H+](Cc1cncs1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941989 1092602598 /nfs/dbraw/zinc/60/25/98/1092602598.db2.gz FJDIGLFWLBTPSD-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP C[N@H+](Cc1cncs1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941989 1092602603 /nfs/dbraw/zinc/60/26/03/1092602603.db2.gz FJDIGLFWLBTPSD-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP C[NH+](Cc1cncs1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941989 1092602611 /nfs/dbraw/zinc/60/26/11/1092602611.db2.gz FJDIGLFWLBTPSD-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP C[NH+](Cc1cncs1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941989 1092602615 /nfs/dbraw/zinc/60/26/15/1092602615.db2.gz FJDIGLFWLBTPSD-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945607 1092605281 /nfs/dbraw/zinc/60/52/81/1092605281.db2.gz RXCOQYFNLAOEAT-UYAOXDASSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945607 1092605285 /nfs/dbraw/zinc/60/52/85/1092605285.db2.gz RXCOQYFNLAOEAT-UYAOXDASSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945607 1092605291 /nfs/dbraw/zinc/60/52/91/1092605291.db2.gz RXCOQYFNLAOEAT-UYAOXDASSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCOC[C@@H]3C3CC3)C2)cc1 ZINC001208945607 1092605297 /nfs/dbraw/zinc/60/52/97/1092605297.db2.gz RXCOQYFNLAOEAT-UYAOXDASSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208953230 1092607649 /nfs/dbraw/zinc/60/76/49/1092607649.db2.gz PENJYIJABGXYIG-SFHVURJKSA-N 2 2 307.441 3.003 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208953230 1092607653 /nfs/dbraw/zinc/60/76/53/1092607653.db2.gz PENJYIJABGXYIG-SFHVURJKSA-N 2 2 307.441 3.003 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950852 1092609861 /nfs/dbraw/zinc/60/98/61/1092609861.db2.gz WVAQOIMIBBMZTF-UYAOXDASSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950852 1092609863 /nfs/dbraw/zinc/60/98/63/1092609863.db2.gz WVAQOIMIBBMZTF-UYAOXDASSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950852 1092609866 /nfs/dbraw/zinc/60/98/66/1092609866.db2.gz WVAQOIMIBBMZTF-UYAOXDASSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950852 1092609873 /nfs/dbraw/zinc/60/98/73/1092609873.db2.gz WVAQOIMIBBMZTF-UYAOXDASSA-N 2 2 322.456 3.136 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001169241348 1092612285 /nfs/dbraw/zinc/61/22/85/1092612285.db2.gz VXOFDRKNJFACEY-UHFFFAOYSA-N 2 2 311.429 3.448 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC001169258421 1092621304 /nfs/dbraw/zinc/62/13/04/1092621304.db2.gz KZQPBXNUZLWPSU-UHFFFAOYSA-N 2 2 324.415 3.292 20 0 DGADLP COc1cc(C)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143163503 1092626435 /nfs/dbraw/zinc/62/64/35/1092626435.db2.gz GOSJYKACFRBINM-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP COc1cc(C)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143163503 1092626440 /nfs/dbraw/zinc/62/64/40/1092626440.db2.gz GOSJYKACFRBINM-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(N)n1 ZINC001143206820 1092633519 /nfs/dbraw/zinc/63/35/19/1092633519.db2.gz LHIFFPMTJQPPQB-UHFFFAOYSA-N 2 2 316.493 3.201 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(N)n1 ZINC001143206820 1092633523 /nfs/dbraw/zinc/63/35/23/1092633523.db2.gz LHIFFPMTJQPPQB-UHFFFAOYSA-N 2 2 316.493 3.201 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@H]2C1 ZINC001209082720 1092645417 /nfs/dbraw/zinc/64/54/17/1092645417.db2.gz BQMXWAGRPOZMDZ-ZIAGYGMSSA-N 2 2 313.272 3.419 20 0 DGADLP CC[N@@H+](CCc1cccc(C(F)(F)F)c1)CCn1cc[nH+]c1 ZINC001209119961 1092660380 /nfs/dbraw/zinc/66/03/80/1092660380.db2.gz YENLJXAUJGVJAY-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP CC[N@H+](CCc1cccc(C(F)(F)F)c1)CCn1cc[nH+]c1 ZINC001209119961 1092660387 /nfs/dbraw/zinc/66/03/87/1092660387.db2.gz YENLJXAUJGVJAY-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209247129 1092713318 /nfs/dbraw/zinc/71/33/18/1092713318.db2.gz IBBNZOHDEIAUPF-OAHLLOKOSA-N 2 2 318.367 3.364 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209247129 1092713327 /nfs/dbraw/zinc/71/33/27/1092713327.db2.gz IBBNZOHDEIAUPF-OAHLLOKOSA-N 2 2 318.367 3.364 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263043 1092718577 /nfs/dbraw/zinc/71/85/77/1092718577.db2.gz KJEDOZRZMWPCNQ-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263043 1092718584 /nfs/dbraw/zinc/71/85/84/1092718584.db2.gz KJEDOZRZMWPCNQ-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263043 1092718591 /nfs/dbraw/zinc/71/85/91/1092718591.db2.gz KJEDOZRZMWPCNQ-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263043 1092718594 /nfs/dbraw/zinc/71/85/94/1092718594.db2.gz KJEDOZRZMWPCNQ-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP c1ccc2c(c1)CC(C[NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001209319410 1092733642 /nfs/dbraw/zinc/73/36/42/1092733642.db2.gz ITGDMRBAWSSALA-UHFFFAOYSA-N 2 2 308.425 3.340 20 0 DGADLP CCOc1ncc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1C ZINC001276638642 1092747318 /nfs/dbraw/zinc/74/73/18/1092747318.db2.gz BFMUKCFQVAXUMX-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ncc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1C ZINC001276638642 1092747324 /nfs/dbraw/zinc/74/73/24/1092747324.db2.gz BFMUKCFQVAXUMX-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ncc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1C ZINC001276638642 1092747330 /nfs/dbraw/zinc/74/73/30/1092747330.db2.gz BFMUKCFQVAXUMX-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ncc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1C ZINC001276638642 1092747334 /nfs/dbraw/zinc/74/73/34/1092747334.db2.gz BFMUKCFQVAXUMX-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP COC1CCC(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209401421 1092758328 /nfs/dbraw/zinc/75/83/28/1092758328.db2.gz PXKYTGKYZVUOIT-OFLPRAFFSA-N 2 2 304.434 3.048 20 0 DGADLP COC1CCC(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209401421 1092758334 /nfs/dbraw/zinc/75/83/34/1092758334.db2.gz PXKYTGKYZVUOIT-OFLPRAFFSA-N 2 2 304.434 3.048 20 0 DGADLP CSc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276653332 1092815157 /nfs/dbraw/zinc/81/51/57/1092815157.db2.gz VDRVZTMAZZRXBV-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276653332 1092815165 /nfs/dbraw/zinc/81/51/65/1092815165.db2.gz VDRVZTMAZZRXBV-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cn1 ZINC001276653332 1092815171 /nfs/dbraw/zinc/81/51/71/1092815171.db2.gz VDRVZTMAZZRXBV-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276653332 1092815177 /nfs/dbraw/zinc/81/51/77/1092815177.db2.gz VDRVZTMAZZRXBV-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP CC1(C)C[C@@H](C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670490 1092895851 /nfs/dbraw/zinc/89/58/51/1092895851.db2.gz DMAMATOKMNUWHP-XYJFISCASA-N 2 2 306.494 3.140 20 0 DGADLP CC1(C)C[C@@H](C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670490 1092895858 /nfs/dbraw/zinc/89/58/58/1092895858.db2.gz DMAMATOKMNUWHP-XYJFISCASA-N 2 2 306.494 3.140 20 0 DGADLP CC1(C)C[C@@H](C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670490 1092895864 /nfs/dbraw/zinc/89/58/64/1092895864.db2.gz DMAMATOKMNUWHP-XYJFISCASA-N 2 2 306.494 3.140 20 0 DGADLP CC1(C)C[C@@H](C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)CCO1 ZINC001276670490 1092895868 /nfs/dbraw/zinc/89/58/68/1092895868.db2.gz DMAMATOKMNUWHP-XYJFISCASA-N 2 2 306.494 3.140 20 0 DGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001209738430 1092897249 /nfs/dbraw/zinc/89/72/49/1092897249.db2.gz ZOARGXWNPSZJFW-MRXNPFEDSA-N 2 2 317.820 3.191 20 0 DGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001209738430 1092897257 /nfs/dbraw/zinc/89/72/57/1092897257.db2.gz ZOARGXWNPSZJFW-MRXNPFEDSA-N 2 2 317.820 3.191 20 0 DGADLP C[NH+]1CCN(c2ncccc2Nc2ccc3c[nH+]ccc3c2)CC1 ZINC001210044953 1093026600 /nfs/dbraw/zinc/02/66/00/1093026600.db2.gz RSADVAYYCPDWBS-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682652 1093131951 /nfs/dbraw/zinc/13/19/51/1093131951.db2.gz UURHQMGOWGBVRH-SCTDSRPQSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682652 1093131955 /nfs/dbraw/zinc/13/19/55/1093131955.db2.gz UURHQMGOWGBVRH-SCTDSRPQSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682652 1093131961 /nfs/dbraw/zinc/13/19/61/1093131961.db2.gz UURHQMGOWGBVRH-SCTDSRPQSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682652 1093131964 /nfs/dbraw/zinc/13/19/64/1093131964.db2.gz UURHQMGOWGBVRH-SCTDSRPQSA-N 2 2 318.509 3.441 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(N(C)c3ccccc3F)cc2)C1 ZINC001210561935 1093211839 /nfs/dbraw/zinc/21/18/39/1093211839.db2.gz YPSWTRJHSPUWDI-UHFFFAOYSA-N 2 2 313.420 3.245 20 0 DGADLP C[NH+]1CCC(n2cc(Nc3ccccc3-n3cc[nH+]c3)cn2)CC1 ZINC001210755738 1093272867 /nfs/dbraw/zinc/27/28/67/1093272867.db2.gz SEIRPZGYOWNYOX-UHFFFAOYSA-N 2 2 322.416 3.079 20 0 DGADLP Cc1cc(C)c(Nc2c(F)cccc2N2CC[NH+](C)CC2)c[nH+]1 ZINC001213520496 1093602911 /nfs/dbraw/zinc/60/29/11/1093602911.db2.gz CDAAZJRVOKJFBT-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC001119954887 1094321047 /nfs/dbraw/zinc/32/10/47/1094321047.db2.gz SJUKEZWIYCQDQT-MRXNPFEDSA-N 2 2 301.409 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001119954887 1094321055 /nfs/dbraw/zinc/32/10/55/1094321055.db2.gz SJUKEZWIYCQDQT-MRXNPFEDSA-N 2 2 301.409 3.056 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770335 1094604630 /nfs/dbraw/zinc/60/46/30/1094604630.db2.gz KIFUCDVZFGQRNB-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770335 1094604638 /nfs/dbraw/zinc/60/46/38/1094604638.db2.gz KIFUCDVZFGQRNB-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770335 1094604646 /nfs/dbraw/zinc/60/46/46/1094604646.db2.gz KIFUCDVZFGQRNB-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770335 1094604653 /nfs/dbraw/zinc/60/46/53/1094604653.db2.gz KIFUCDVZFGQRNB-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000309758105 1094783810 /nfs/dbraw/zinc/78/38/10/1094783810.db2.gz XIVMNJIFMKKETN-GBESFXJTSA-N 2 2 312.457 3.095 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000309758105 1094783822 /nfs/dbraw/zinc/78/38/22/1094783822.db2.gz XIVMNJIFMKKETN-GBESFXJTSA-N 2 2 312.457 3.095 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309758105 1094783833 /nfs/dbraw/zinc/78/38/33/1094783833.db2.gz XIVMNJIFMKKETN-GBESFXJTSA-N 2 2 312.457 3.095 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309758105 1094783847 /nfs/dbraw/zinc/78/38/47/1094783847.db2.gz XIVMNJIFMKKETN-GBESFXJTSA-N 2 2 312.457 3.095 20 0 DGADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc2[nH+]ccn21 ZINC001136208221 1094945279 /nfs/dbraw/zinc/94/52/79/1094945279.db2.gz RTNHNJXPUTVSQW-UHFFFAOYSA-N 2 2 320.396 3.182 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170943715 1094978987 /nfs/dbraw/zinc/97/89/87/1094978987.db2.gz NHKMXIFALDESDT-OAHLLOKOSA-N 2 2 303.837 3.416 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170943715 1094978994 /nfs/dbraw/zinc/97/89/94/1094978994.db2.gz NHKMXIFALDESDT-OAHLLOKOSA-N 2 2 303.837 3.416 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170956270 1095016866 /nfs/dbraw/zinc/01/68/66/1095016866.db2.gz VFMPCBQBOLEXMP-NVXWUHKLSA-N 2 2 304.453 3.393 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)CC2 ZINC001170959422 1095029472 /nfs/dbraw/zinc/02/94/72/1095029472.db2.gz YPZYHDDGZBJCKC-LJQANCHMSA-N 2 2 324.443 3.405 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000315171066 1095093158 /nfs/dbraw/zinc/09/31/58/1095093158.db2.gz HYSVJFLMQYLQFX-OKZBNKHCSA-N 2 2 300.446 3.289 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000315171066 1095093170 /nfs/dbraw/zinc/09/31/70/1095093170.db2.gz HYSVJFLMQYLQFX-OKZBNKHCSA-N 2 2 300.446 3.289 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056012 1095213509 /nfs/dbraw/zinc/21/35/09/1095213509.db2.gz JOSHNGFMCYXRPU-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056012 1095213518 /nfs/dbraw/zinc/21/35/18/1095213518.db2.gz JOSHNGFMCYXRPU-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056012 1095213527 /nfs/dbraw/zinc/21/35/27/1095213527.db2.gz JOSHNGFMCYXRPU-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056012 1095213535 /nfs/dbraw/zinc/21/35/35/1095213535.db2.gz JOSHNGFMCYXRPU-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP Clc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171061645 1095232600 /nfs/dbraw/zinc/23/26/00/1095232600.db2.gz WSTREXRMRXLVLY-MRXNPFEDSA-N 2 2 304.865 3.367 20 0 DGADLP CN(C)c1[nH+]ccc2c1CN(c1cc[nH+]cc1C(F)(F)F)CC2 ZINC001338238765 1095233293 /nfs/dbraw/zinc/23/32/93/1095233293.db2.gz ZZIINUNZUQKXAC-UHFFFAOYSA-N 2 2 322.334 3.124 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cc[nH+]1 ZINC001136957787 1095252005 /nfs/dbraw/zinc/25/20/05/1095252005.db2.gz NYRBIXNNNJHYQX-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640556 1095316099 /nfs/dbraw/zinc/31/60/99/1095316099.db2.gz ABZPRWGFWRUZAO-UHFFFAOYSA-N 2 2 303.450 3.049 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001143898979 1095428515 /nfs/dbraw/zinc/42/85/15/1095428515.db2.gz FYPYOCCUSJZWHS-UHFFFAOYSA-N 2 2 312.816 3.015 20 0 DGADLP Clc1cccc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)nc12 ZINC001222142074 1095453163 /nfs/dbraw/zinc/45/31/63/1095453163.db2.gz VWWYFZMVUHUFDL-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cccc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)nc12 ZINC001222142074 1095453167 /nfs/dbraw/zinc/45/31/67/1095453167.db2.gz VWWYFZMVUHUFDL-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222161589 1095467477 /nfs/dbraw/zinc/46/74/77/1095467477.db2.gz PYJZGWMWXXMCAQ-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222161589 1095467490 /nfs/dbraw/zinc/46/74/90/1095467490.db2.gz PYJZGWMWXXMCAQ-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP CCCn1cnc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166921 1095470890 /nfs/dbraw/zinc/47/08/90/1095470890.db2.gz GBGZRFFKVCEHQS-SFHVURJKSA-N 2 2 304.482 3.039 20 0 DGADLP CCCn1cnc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166921 1095470893 /nfs/dbraw/zinc/47/08/93/1095470893.db2.gz GBGZRFFKVCEHQS-SFHVURJKSA-N 2 2 304.482 3.039 20 0 DGADLP Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)[nH+]c2ccccc12 ZINC001339078307 1095490182 /nfs/dbraw/zinc/49/01/82/1095490182.db2.gz VIBWLYHOQCUIPS-INIZCTEOSA-N 2 2 313.445 3.456 20 0 DGADLP Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)[nH+]c2ccccc12 ZINC001339078307 1095490191 /nfs/dbraw/zinc/49/01/91/1095490191.db2.gz VIBWLYHOQCUIPS-INIZCTEOSA-N 2 2 313.445 3.456 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccc(C)cc2)CC1 ZINC001116293856 1095508047 /nfs/dbraw/zinc/50/80/47/1095508047.db2.gz JQABSZFGNMROJP-QGZVFWFLSA-N 2 2 318.505 3.405 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)n2)cc1 ZINC001222253524 1095512894 /nfs/dbraw/zinc/51/28/94/1095512894.db2.gz PSVDLVPNNTVQSE-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)n2)cc1 ZINC001222253524 1095512903 /nfs/dbraw/zinc/51/29/03/1095512903.db2.gz PSVDLVPNNTVQSE-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCOc2ccccc2)[nH+]1 ZINC001116346726 1095520935 /nfs/dbraw/zinc/52/09/35/1095520935.db2.gz YNAIHOIGOYQNIU-QGZVFWFLSA-N 2 2 311.429 3.345 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCOc2ccccc2)[nH+]1 ZINC001116346726 1095520942 /nfs/dbraw/zinc/52/09/42/1095520942.db2.gz YNAIHOIGOYQNIU-QGZVFWFLSA-N 2 2 311.429 3.345 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282792 1095528472 /nfs/dbraw/zinc/52/84/72/1095528472.db2.gz NUVCEEICWPQCAW-FQEVSTJZSA-N 2 2 309.457 3.234 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282792 1095528483 /nfs/dbraw/zinc/52/84/83/1095528483.db2.gz NUVCEEICWPQCAW-FQEVSTJZSA-N 2 2 309.457 3.234 20 0 DGADLP COc1c(F)c(C)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001222304593 1095539799 /nfs/dbraw/zinc/53/97/99/1095539799.db2.gz FIINXKXXILRXST-UHFFFAOYSA-N 2 2 311.360 3.144 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144205955 1095564318 /nfs/dbraw/zinc/56/43/18/1095564318.db2.gz SAEYFPDMILIXFB-UHFFFAOYSA-N 2 2 318.440 3.398 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144205955 1095564328 /nfs/dbraw/zinc/56/43/28/1095564328.db2.gz SAEYFPDMILIXFB-UHFFFAOYSA-N 2 2 318.440 3.398 20 0 DGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152912 1095574574 /nfs/dbraw/zinc/57/45/74/1095574574.db2.gz USHWVYXYYPJSKX-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152912 1095574581 /nfs/dbraw/zinc/57/45/81/1095574581.db2.gz USHWVYXYYPJSKX-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1C ZINC001222385894 1095584514 /nfs/dbraw/zinc/58/45/14/1095584514.db2.gz ZQGRDKKFPYEDMI-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1C ZINC001222385894 1095584524 /nfs/dbraw/zinc/58/45/24/1095584524.db2.gz ZQGRDKKFPYEDMI-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP c1cc(-c2cccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2)n[nH]1 ZINC001222401498 1095596618 /nfs/dbraw/zinc/59/66/18/1095596618.db2.gz UDGFUFALJMIAEH-IBGZPJMESA-N 2 2 310.445 3.185 20 0 DGADLP c1cc(-c2cccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2)n[nH]1 ZINC001222401498 1095596633 /nfs/dbraw/zinc/59/66/33/1095596633.db2.gz UDGFUFALJMIAEH-IBGZPJMESA-N 2 2 310.445 3.185 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222471649 1095632421 /nfs/dbraw/zinc/63/24/21/1095632421.db2.gz UGAKLQFZCCYABP-HXUWFJFHSA-N 2 2 309.457 3.234 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222471649 1095632427 /nfs/dbraw/zinc/63/24/27/1095632427.db2.gz UGAKLQFZCCYABP-HXUWFJFHSA-N 2 2 309.457 3.234 20 0 DGADLP Clc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c2n1 ZINC001144415848 1095648014 /nfs/dbraw/zinc/64/80/14/1095648014.db2.gz OEGDEPRJGWEKOZ-UHFFFAOYSA-N 2 2 315.808 3.250 20 0 DGADLP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC001222553567 1095663853 /nfs/dbraw/zinc/66/38/53/1095663853.db2.gz XKORADZNWNWLKB-UHFFFAOYSA-N 2 2 309.187 3.395 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1)c1cccc2ccccc21 ZINC001222697092 1095725642 /nfs/dbraw/zinc/72/56/42/1095725642.db2.gz TVTJASMNODIGGZ-XPGWFJOJSA-N 2 2 310.441 3.006 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1)c1cccc2ccccc21 ZINC001222697092 1095725654 /nfs/dbraw/zinc/72/56/54/1095725654.db2.gz TVTJASMNODIGGZ-XPGWFJOJSA-N 2 2 310.441 3.006 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246576059 1095726165 /nfs/dbraw/zinc/72/61/65/1095726165.db2.gz YZBBLQSYYSOCFB-NWDGAFQWSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246576059 1095726172 /nfs/dbraw/zinc/72/61/72/1095726172.db2.gz YZBBLQSYYSOCFB-NWDGAFQWSA-N 2 2 301.261 3.466 20 0 DGADLP CC(C)[N@H+](Cc1cccc(-c2cncnc2)c1)C1CC[NH+](C)CC1 ZINC001137772582 1095738995 /nfs/dbraw/zinc/73/89/95/1095738995.db2.gz HBKFITJCEXGNFK-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(-c2cncnc2)c1)C1CC[NH+](C)CC1 ZINC001137772582 1095739007 /nfs/dbraw/zinc/73/90/07/1095739007.db2.gz HBKFITJCEXGNFK-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001137884083 1095779556 /nfs/dbraw/zinc/77/95/56/1095779556.db2.gz IBZMBEOYDWIKCM-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138176267 1095914238 /nfs/dbraw/zinc/91/42/38/1095914238.db2.gz ZEKORGLVQNIMPF-UHFFFAOYSA-N 2 2 305.466 3.186 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138176267 1095914249 /nfs/dbraw/zinc/91/42/49/1095914249.db2.gz ZEKORGLVQNIMPF-UHFFFAOYSA-N 2 2 305.466 3.186 20 0 DGADLP C[N@@H+](Cc1ccnc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001118874384 1096096882 /nfs/dbraw/zinc/09/68/82/1096096882.db2.gz ZOPRHMCBDGLISM-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccnc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001118874384 1096096893 /nfs/dbraw/zinc/09/68/93/1096096893.db2.gz ZOPRHMCBDGLISM-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccnc(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001118874384 1096096903 /nfs/dbraw/zinc/09/69/03/1096096903.db2.gz ZOPRHMCBDGLISM-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccnc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001118874384 1096096914 /nfs/dbraw/zinc/09/69/14/1096096914.db2.gz ZOPRHMCBDGLISM-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH+]1CCC[NH2+]CCC1 ZINC001246904778 1096150483 /nfs/dbraw/zinc/15/04/83/1096150483.db2.gz IOJNCQLOMZGMAN-CYBMUJFWSA-N 2 2 311.267 3.066 20 0 DGADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001341380206 1096166259 /nfs/dbraw/zinc/16/62/59/1096166259.db2.gz GBXYVFKRDPCQKR-SFHVURJKSA-N 2 2 324.428 3.019 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC001171315437 1096277730 /nfs/dbraw/zinc/27/77/30/1096277730.db2.gz IPMHDNDYXJTJFL-AWEZNQCLSA-N 2 2 322.880 3.232 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC001171315437 1096277737 /nfs/dbraw/zinc/27/77/37/1096277737.db2.gz IPMHDNDYXJTJFL-AWEZNQCLSA-N 2 2 322.880 3.232 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171446711 1096836921 /nfs/dbraw/zinc/83/69/21/1096836921.db2.gz UEYZCKUDJCTTPP-INIZCTEOSA-N 2 2 308.416 3.144 20 0 DGADLP COc1cccc2c1OC[C@H]2[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628536 1096929188 /nfs/dbraw/zinc/92/91/88/1096929188.db2.gz AAPTYJHQIUBXOJ-OAHLLOKOSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277217002 1096945031 /nfs/dbraw/zinc/94/50/31/1096945031.db2.gz HLEFQMIXMCVXQC-UONOGXRCSA-N 2 2 316.449 3.097 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641331 1096949259 /nfs/dbraw/zinc/94/92/59/1096949259.db2.gz OWJZAJKNKAFIEG-UHFFFAOYSA-N 2 2 318.461 3.499 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641331 1096949263 /nfs/dbraw/zinc/94/92/63/1096949263.db2.gz OWJZAJKNKAFIEG-UHFFFAOYSA-N 2 2 318.461 3.499 20 0 DGADLP Cc1noc([C@@H]2CCC[N@H+]2C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171644031 1096950336 /nfs/dbraw/zinc/95/03/36/1096950336.db2.gz ZMUWYOYDXRALIV-AWEZNQCLSA-N 2 2 306.454 3.166 20 0 DGADLP Cc1noc([C@@H]2CCC[N@@H+]2C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171644031 1096950341 /nfs/dbraw/zinc/95/03/41/1096950341.db2.gz ZMUWYOYDXRALIV-AWEZNQCLSA-N 2 2 306.454 3.166 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001171727710 1096955709 /nfs/dbraw/zinc/95/57/09/1096955709.db2.gz GBWLGMJNUZLBJT-LMCOJAPRSA-N 2 2 315.505 3.112 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171811938 1096985185 /nfs/dbraw/zinc/98/51/85/1096985185.db2.gz JIZPWKBMTDSIHK-HOTGVXAUSA-N 2 2 312.388 3.150 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171811938 1096985189 /nfs/dbraw/zinc/98/51/89/1096985189.db2.gz JIZPWKBMTDSIHK-HOTGVXAUSA-N 2 2 312.388 3.150 20 0 DGADLP CC[N@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001171928505 1097009630 /nfs/dbraw/zinc/00/96/30/1097009630.db2.gz JJOCKGFNEVJCFC-UHFFFAOYSA-N 2 2 324.509 3.303 20 0 DGADLP CC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001171928505 1097009636 /nfs/dbraw/zinc/00/96/36/1097009636.db2.gz JJOCKGFNEVJCFC-UHFFFAOYSA-N 2 2 324.509 3.303 20 0 DGADLP CCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC001171970911 1097020460 /nfs/dbraw/zinc/02/04/60/1097020460.db2.gz GKJJRFWMNGIFQO-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP CCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC001171970911 1097020464 /nfs/dbraw/zinc/02/04/64/1097020464.db2.gz GKJJRFWMNGIFQO-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975728 1097023977 /nfs/dbraw/zinc/02/39/77/1097023977.db2.gz DZWMNRVBEXICCD-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975728 1097023981 /nfs/dbraw/zinc/02/39/81/1097023981.db2.gz DZWMNRVBEXICCD-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975728 1097023987 /nfs/dbraw/zinc/02/39/87/1097023987.db2.gz DZWMNRVBEXICCD-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975728 1097023993 /nfs/dbraw/zinc/02/39/93/1097023993.db2.gz DZWMNRVBEXICCD-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975726 1097024156 /nfs/dbraw/zinc/02/41/56/1097024156.db2.gz DZWMNRVBEXICCD-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975726 1097024160 /nfs/dbraw/zinc/02/41/60/1097024160.db2.gz DZWMNRVBEXICCD-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975726 1097024167 /nfs/dbraw/zinc/02/41/67/1097024167.db2.gz DZWMNRVBEXICCD-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975726 1097024177 /nfs/dbraw/zinc/02/41/77/1097024177.db2.gz DZWMNRVBEXICCD-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP CO[C@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978570 1097027683 /nfs/dbraw/zinc/02/76/83/1097027683.db2.gz ZQCPOKMFRAJCDE-SQNIBIBYSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978570 1097027688 /nfs/dbraw/zinc/02/76/88/1097027688.db2.gz ZQCPOKMFRAJCDE-SQNIBIBYSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978570 1097027692 /nfs/dbraw/zinc/02/76/92/1097027692.db2.gz ZQCPOKMFRAJCDE-SQNIBIBYSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978570 1097027696 /nfs/dbraw/zinc/02/76/96/1097027696.db2.gz ZQCPOKMFRAJCDE-SQNIBIBYSA-N 2 2 320.452 3.098 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126665 1097047798 /nfs/dbraw/zinc/04/77/98/1097047798.db2.gz XWZFDIMKHOFSSD-LTIDMASMSA-N 2 2 322.493 3.198 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126665 1097047803 /nfs/dbraw/zinc/04/78/03/1097047803.db2.gz XWZFDIMKHOFSSD-LTIDMASMSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126665 1097047806 /nfs/dbraw/zinc/04/78/06/1097047806.db2.gz XWZFDIMKHOFSSD-LTIDMASMSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C)C2 ZINC001172126665 1097047810 /nfs/dbraw/zinc/04/78/10/1097047810.db2.gz XWZFDIMKHOFSSD-LTIDMASMSA-N 2 2 322.493 3.198 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126666 1097047935 /nfs/dbraw/zinc/04/79/35/1097047935.db2.gz XWZFDIMKHOFSSD-YVSFHVDLSA-N 2 2 322.493 3.198 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126666 1097047942 /nfs/dbraw/zinc/04/79/42/1097047942.db2.gz XWZFDIMKHOFSSD-YVSFHVDLSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126666 1097047948 /nfs/dbraw/zinc/04/79/48/1097047948.db2.gz XWZFDIMKHOFSSD-YVSFHVDLSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126666 1097047952 /nfs/dbraw/zinc/04/79/52/1097047952.db2.gz XWZFDIMKHOFSSD-YVSFHVDLSA-N 2 2 322.493 3.198 20 0 DGADLP C[N@H+](CCC(=O)c1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127738 1097048197 /nfs/dbraw/zinc/04/81/97/1097048197.db2.gz JVPWHGUYFMUUAE-FICVDOATSA-N 2 2 306.475 3.268 20 0 DGADLP C[N@@H+](CCC(=O)c1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127738 1097048202 /nfs/dbraw/zinc/04/82/02/1097048202.db2.gz JVPWHGUYFMUUAE-FICVDOATSA-N 2 2 306.475 3.268 20 0 DGADLP C[NH+](CCC(=O)c1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127738 1097048205 /nfs/dbraw/zinc/04/82/05/1097048205.db2.gz JVPWHGUYFMUUAE-FICVDOATSA-N 2 2 306.475 3.268 20 0 DGADLP C[NH+](CCC(=O)c1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127738 1097048208 /nfs/dbraw/zinc/04/82/08/1097048208.db2.gz JVPWHGUYFMUUAE-FICVDOATSA-N 2 2 306.475 3.268 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nccc(Cl)c1Cl)C2 ZINC001172113735 1097060867 /nfs/dbraw/zinc/06/08/67/1097060867.db2.gz JTUZEWHZNQXLDN-CNDDSTCGSA-N 2 2 314.260 3.493 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nccc(Cl)c1Cl)C2 ZINC001172113735 1097060871 /nfs/dbraw/zinc/06/08/71/1097060871.db2.gz JTUZEWHZNQXLDN-CNDDSTCGSA-N 2 2 314.260 3.493 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115985 1097061837 /nfs/dbraw/zinc/06/18/37/1097061837.db2.gz ANEXYFWKNOLHJJ-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115985 1097061843 /nfs/dbraw/zinc/06/18/43/1097061843.db2.gz ANEXYFWKNOLHJJ-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115985 1097061849 /nfs/dbraw/zinc/06/18/49/1097061849.db2.gz ANEXYFWKNOLHJJ-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115985 1097061855 /nfs/dbraw/zinc/06/18/55/1097061855.db2.gz ANEXYFWKNOLHJJ-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001172200946 1097085943 /nfs/dbraw/zinc/08/59/43/1097085943.db2.gz LSNXXGGBZMBYJV-ZWKOTPCHSA-N 2 2 310.466 3.089 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001172200946 1097085948 /nfs/dbraw/zinc/08/59/48/1097085948.db2.gz LSNXXGGBZMBYJV-ZWKOTPCHSA-N 2 2 310.466 3.089 20 0 DGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001172253325 1097092256 /nfs/dbraw/zinc/09/22/56/1097092256.db2.gz LDTPFOFUHKZWNG-LJQANCHMSA-N 2 2 317.477 3.028 20 0 DGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001172253325 1097092260 /nfs/dbraw/zinc/09/22/60/1097092260.db2.gz LDTPFOFUHKZWNG-LJQANCHMSA-N 2 2 317.477 3.028 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172318977 1097100211 /nfs/dbraw/zinc/10/02/11/1097100211.db2.gz NKUWCNXUBOPGLU-SJORKVTESA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001172372135 1097110401 /nfs/dbraw/zinc/11/04/01/1097110401.db2.gz CKMDMBPZJMLFOT-JKIFEVAISA-N 2 2 302.466 3.040 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@H]1C ZINC001172377897 1097113079 /nfs/dbraw/zinc/11/30/79/1097113079.db2.gz ZPMPYHAIZMQKKJ-CJGGRQNCSA-N 2 2 313.489 3.270 20 0 DGADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001172359971 1097124898 /nfs/dbraw/zinc/12/48/98/1097124898.db2.gz ISFJHPQMWXQJSX-YESZJQIVSA-N 2 2 306.450 3.437 20 0 DGADLP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001172359971 1097124900 /nfs/dbraw/zinc/12/49/00/1097124900.db2.gz ISFJHPQMWXQJSX-YESZJQIVSA-N 2 2 306.450 3.437 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC001172361514 1097126427 /nfs/dbraw/zinc/12/64/27/1097126427.db2.gz YASVVIYSNPRCOL-MBOZVWFJSA-N 2 2 316.489 3.433 20 0 DGADLP CCOCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001172416474 1097133958 /nfs/dbraw/zinc/13/39/58/1097133958.db2.gz NPAMYNWTBILDLP-MRXNPFEDSA-N 2 2 320.477 3.064 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)c1 ZINC001172383320 1097141095 /nfs/dbraw/zinc/14/10/95/1097141095.db2.gz PEGGOCXOYCNLHG-ARFHVFGLSA-N 2 2 303.450 3.037 20 0 DGADLP CCCCCC[C@H](CCC)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172390227 1097142814 /nfs/dbraw/zinc/14/28/14/1097142814.db2.gz KDTOVGNBSRALDE-INIZCTEOSA-N 2 2 322.497 3.202 20 0 DGADLP CC(C)COCC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172458474 1097160814 /nfs/dbraw/zinc/16/08/14/1097160814.db2.gz ZGQREKHFUOZQPP-KRWDZBQOSA-N 2 2 304.478 3.159 20 0 DGADLP CCc1nc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001203251195 1097199958 /nfs/dbraw/zinc/19/99/58/1097199958.db2.gz MQJBZNMRXVLPII-UHFFFAOYSA-N 2 2 304.482 3.119 20 0 DGADLP CCc1nc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001203251195 1097199960 /nfs/dbraw/zinc/19/99/60/1097199960.db2.gz MQJBZNMRXVLPII-UHFFFAOYSA-N 2 2 304.482 3.119 20 0 DGADLP C([C@@H]1C[N@@H+](C2CCC3(CCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001172731423 1097220252 /nfs/dbraw/zinc/22/02/52/1097220252.db2.gz ZJOBFDMGYPCZCL-GOSISDBHSA-N 2 2 306.494 3.286 20 0 DGADLP C([C@@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001172731423 1097220256 /nfs/dbraw/zinc/22/02/56/1097220256.db2.gz ZJOBFDMGYPCZCL-GOSISDBHSA-N 2 2 306.494 3.286 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172844133 1097259947 /nfs/dbraw/zinc/25/99/47/1097259947.db2.gz BRECSXNHOJYVBT-JSGCOSHPSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172844133 1097259952 /nfs/dbraw/zinc/25/99/52/1097259952.db2.gz BRECSXNHOJYVBT-JSGCOSHPSA-N 2 2 310.844 3.484 20 0 DGADLP Cc1cccc2c1[nH+]c(N)n2-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001212692211 1097291441 /nfs/dbraw/zinc/29/14/41/1097291441.db2.gz HNSWWFANNCMOCA-UHFFFAOYSA-N 2 2 303.369 3.161 20 0 DGADLP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001173111218 1097332755 /nfs/dbraw/zinc/33/27/55/1097332755.db2.gz ZZPPMBSEJGRRHN-SOAGJPPSSA-N 3 2 315.505 3.025 20 0 DGADLP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001173111218 1097332759 /nfs/dbraw/zinc/33/27/59/1097332759.db2.gz ZZPPMBSEJGRRHN-SOAGJPPSSA-N 3 2 315.505 3.025 20 0 DGADLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001173296829 1097400939 /nfs/dbraw/zinc/40/09/39/1097400939.db2.gz XAUSGRMKEWCECX-AWEZNQCLSA-N 2 2 308.491 3.088 20 0 DGADLP CCSC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001173305974 1097405866 /nfs/dbraw/zinc/40/58/66/1097405866.db2.gz WWKKQDHTTKVUJU-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001173305974 1097405870 /nfs/dbraw/zinc/40/58/70/1097405870.db2.gz WWKKQDHTTKVUJU-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001173305974 1097405875 /nfs/dbraw/zinc/40/58/75/1097405875.db2.gz WWKKQDHTTKVUJU-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001173305974 1097405878 /nfs/dbraw/zinc/40/58/78/1097405878.db2.gz WWKKQDHTTKVUJU-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174587563 1097769009 /nfs/dbraw/zinc/76/90/09/1097769009.db2.gz FCJLIYMUYDEMLX-KRWDZBQOSA-N 2 2 322.497 3.118 20 0 DGADLP CCc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC001231642536 1097799557 /nfs/dbraw/zinc/79/95/57/1097799557.db2.gz DFUYZGMRKLOVNV-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP CCc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC001231642536 1097799562 /nfs/dbraw/zinc/79/95/62/1097799562.db2.gz DFUYZGMRKLOVNV-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP Cc1cn2c(cccc2Nc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001174812582 1097861383 /nfs/dbraw/zinc/86/13/83/1097861383.db2.gz KYFWEUFQJJTEAH-UHFFFAOYSA-N 2 2 321.428 3.138 20 0 DGADLP COc1cccc2c(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001231897412 1097883053 /nfs/dbraw/zinc/88/30/53/1097883053.db2.gz NBLCTXLEDYNZEK-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP COc1cccc2c(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001231897412 1097883057 /nfs/dbraw/zinc/88/30/57/1097883057.db2.gz NBLCTXLEDYNZEK-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4ccnc(Cl)c4c3)C[C@H]2C1 ZINC001231980987 1097907608 /nfs/dbraw/zinc/90/76/08/1097907608.db2.gz ZWTHBSKDELHNJN-HZPDHXFCSA-N 2 2 315.848 3.272 20 0 DGADLP Cc1cc(F)ncc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001231986132 1097908746 /nfs/dbraw/zinc/90/87/46/1097908746.db2.gz YSSVNUKHLUCBJW-UHFFFAOYSA-N 2 2 310.376 3.347 20 0 DGADLP Cc1cc(F)ncc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001231986132 1097908748 /nfs/dbraw/zinc/90/87/48/1097908748.db2.gz YSSVNUKHLUCBJW-UHFFFAOYSA-N 2 2 310.376 3.347 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccn3Cc3ccccc3)C[C@H]2C1 ZINC001232234681 1097976918 /nfs/dbraw/zinc/97/69/18/1097976918.db2.gz CRXJGBNKFNKRJQ-WOJBJXKFSA-N 2 2 323.484 3.310 20 0 DGADLP CC[N@H+](Cc1c[nH]c2nccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001232456648 1098042350 /nfs/dbraw/zinc/04/23/50/1098042350.db2.gz DMHHDFXTEUIREF-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2nccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001232456648 1098042355 /nfs/dbraw/zinc/04/23/55/1098042355.db2.gz DMHHDFXTEUIREF-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP Cc1[nH]c(CN([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)c[nH+]1 ZINC001232466236 1098046448 /nfs/dbraw/zinc/04/64/48/1098046448.db2.gz WHZJMILCQVGCLD-FOIQADDNSA-N 2 2 324.472 3.376 20 0 DGADLP Cc1[nH]cc(CN([C@H](C)c2ccccc2)[C@@H]2C[NH+]3CCC2CC3)[nH+]1 ZINC001232466236 1098046450 /nfs/dbraw/zinc/04/64/50/1098046450.db2.gz WHZJMILCQVGCLD-FOIQADDNSA-N 2 2 324.472 3.376 20 0 DGADLP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501923 1098074219 /nfs/dbraw/zinc/07/42/19/1098074219.db2.gz HKCPUMJKCDLFQN-DLBZAZTESA-N 2 2 322.497 3.145 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cncc3cnccc32)C2CCCC2)CC1 ZINC001232655765 1098108461 /nfs/dbraw/zinc/10/84/61/1098108461.db2.gz YWQXFOFEGUUSQN-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cncc3cnccc32)C2CCCC2)CC1 ZINC001232655765 1098108469 /nfs/dbraw/zinc/10/84/69/1098108469.db2.gz YWQXFOFEGUUSQN-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP CNc1ccccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001232672248 1098110833 /nfs/dbraw/zinc/11/08/33/1098110833.db2.gz CSSWPGKMOMNJTQ-UHFFFAOYSA-N 2 2 305.441 3.127 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4ncsc4c3)C[C@@H]2C1 ZINC001232744110 1098126068 /nfs/dbraw/zinc/12/60/68/1098126068.db2.gz MJUKHKWJWXCVIL-GJZGRUSLSA-N 2 2 301.459 3.070 20 0 DGADLP CC(C)[N@H+](Cc1cc(Br)co1)C1CC[NH+](C)CC1 ZINC001232858147 1098154267 /nfs/dbraw/zinc/15/42/67/1098154267.db2.gz BVBMEOIBVWNPPN-UHFFFAOYSA-N 2 2 315.255 3.347 20 0 DGADLP CC(C)[N@@H+](Cc1cc(Br)co1)C1CC[NH+](C)CC1 ZINC001232858147 1098154269 /nfs/dbraw/zinc/15/42/69/1098154269.db2.gz BVBMEOIBVWNPPN-UHFFFAOYSA-N 2 2 315.255 3.347 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c(F)c1Cl)CC2 ZINC001232877435 1098159581 /nfs/dbraw/zinc/15/95/81/1098159581.db2.gz JAANCFWWTIFXQD-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3cccn4cc[nH+]c34)cc2)CC1 ZINC001175779372 1098168701 /nfs/dbraw/zinc/16/87/01/1098168701.db2.gz FAANCOWEZCTYLF-UHFFFAOYSA-N 2 2 321.428 3.220 20 0 DGADLP Cc1cn2cc(Nc3cccc(C[NH+]4CCOCC4)c3)ccc2[nH+]1 ZINC001175859051 1098193766 /nfs/dbraw/zinc/19/37/66/1098193766.db2.gz XTWOBODHAGFIAF-UHFFFAOYSA-N 2 2 322.412 3.219 20 0 DGADLP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001233007965 1098200832 /nfs/dbraw/zinc/20/08/32/1098200832.db2.gz XHFAGJDLAJSYIW-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001233007965 1098200836 /nfs/dbraw/zinc/20/08/36/1098200836.db2.gz XHFAGJDLAJSYIW-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001233007965 1098200841 /nfs/dbraw/zinc/20/08/41/1098200841.db2.gz XHFAGJDLAJSYIW-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001233007965 1098200844 /nfs/dbraw/zinc/20/08/44/1098200844.db2.gz XHFAGJDLAJSYIW-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP C[N@H+](Cc1ccc(Br)c(F)c1)C1CC[NH+](C)CC1 ZINC000721955531 1098217626 /nfs/dbraw/zinc/21/76/26/1098217626.db2.gz IFAZSQOMJWSAPX-UHFFFAOYSA-N 2 2 315.230 3.114 20 0 DGADLP C[N@@H+](Cc1ccc(Br)c(F)c1)C1CC[NH+](C)CC1 ZINC000721955531 1098217629 /nfs/dbraw/zinc/21/76/29/1098217629.db2.gz IFAZSQOMJWSAPX-UHFFFAOYSA-N 2 2 315.230 3.114 20 0 DGADLP CCOc1cc(Nc2ccc(OCC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC001176223966 1098287910 /nfs/dbraw/zinc/28/79/10/1098287910.db2.gz MPXGQSOSJPGOMH-UHFFFAOYSA-N 2 2 315.417 3.473 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1csc(Br)c1 ZINC001233415240 1098320863 /nfs/dbraw/zinc/32/08/63/1098320863.db2.gz KWKWQPFOLZLBQZ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1csc(Br)c1 ZINC001233415240 1098320867 /nfs/dbraw/zinc/32/08/67/1098320867.db2.gz KWKWQPFOLZLBQZ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C1=C(C[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176496344 1098361633 /nfs/dbraw/zinc/36/16/33/1098361633.db2.gz QPDSIAZRPMATQQ-UHFFFAOYSA-N 2 2 314.473 3.321 20 0 DGADLP C1=C(C[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176496344 1098361639 /nfs/dbraw/zinc/36/16/39/1098361639.db2.gz QPDSIAZRPMATQQ-UHFFFAOYSA-N 2 2 314.473 3.321 20 0 DGADLP C1=C(C[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176496344 1098361645 /nfs/dbraw/zinc/36/16/45/1098361645.db2.gz QPDSIAZRPMATQQ-UHFFFAOYSA-N 2 2 314.473 3.321 20 0 DGADLP C1=C(C[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)CCC1 ZINC001176496344 1098361651 /nfs/dbraw/zinc/36/16/51/1098361651.db2.gz QPDSIAZRPMATQQ-UHFFFAOYSA-N 2 2 314.473 3.321 20 0 DGADLP COc1cc(C[NH+]2CCC(C(F)F)CC2)ccc1-n1cc[nH+]c1 ZINC001234068196 1098489433 /nfs/dbraw/zinc/48/94/33/1098489433.db2.gz YRUORNOYDWRXNV-UHFFFAOYSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cccc(O[C@@H]2CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)c1 ZINC001234627575 1098624971 /nfs/dbraw/zinc/62/49/71/1098624971.db2.gz PVIJPYZRXLPUPU-QGZVFWFLSA-N 2 2 315.417 3.079 20 0 DGADLP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)c1 ZINC001234627575 1098624975 /nfs/dbraw/zinc/62/49/75/1098624975.db2.gz PVIJPYZRXLPUPU-QGZVFWFLSA-N 2 2 315.417 3.079 20 0 DGADLP CCN(Cc1[nH]c(C)[nH+]c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001234644567 1098629058 /nfs/dbraw/zinc/62/90/58/1098629058.db2.gz GCYQMKIMCUSSIO-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP CCN(Cc1[nH]c(C)[nH+]c1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001234644567 1098629063 /nfs/dbraw/zinc/62/90/63/1098629063.db2.gz GCYQMKIMCUSSIO-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CC[C@]3(CCC[N@@H+]3Cc3ccccc3)C2)c(C)[nH+]1 ZINC001234654204 1098633522 /nfs/dbraw/zinc/63/35/22/1098633522.db2.gz FDDLCECNPYAKIN-HXUWFJFHSA-N 2 2 324.472 3.267 20 0 DGADLP Cc1[nH]c(CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)c(C)[nH+]1 ZINC001234654204 1098633526 /nfs/dbraw/zinc/63/35/26/1098633526.db2.gz FDDLCECNPYAKIN-HXUWFJFHSA-N 2 2 324.472 3.267 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC001177972752 1098679486 /nfs/dbraw/zinc/67/94/86/1098679486.db2.gz WLFYPIMOFDLVQR-UHFFFAOYSA-N 2 2 316.898 3.381 20 0 DGADLP c1cc(Oc2ccccc2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC001234977899 1098732676 /nfs/dbraw/zinc/73/26/76/1098732676.db2.gz CXCDYWFMJQXKJN-OKILXGFUSA-N 2 2 300.427 3.192 20 0 DGADLP c1cc(Oc2ccccc2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC001234977899 1098732684 /nfs/dbraw/zinc/73/26/84/1098732684.db2.gz CXCDYWFMJQXKJN-OKILXGFUSA-N 2 2 300.427 3.192 20 0 DGADLP CCCCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027257 1098757972 /nfs/dbraw/zinc/75/79/72/1098757972.db2.gz ZDHAFMDPQLTIOW-PKOBYXMFSA-N 2 2 302.462 3.439 20 0 DGADLP CCCCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027257 1098757983 /nfs/dbraw/zinc/75/79/83/1098757983.db2.gz ZDHAFMDPQLTIOW-PKOBYXMFSA-N 2 2 302.462 3.439 20 0 DGADLP Clc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCC[NH2+]3)CC1)OCO2 ZINC001235047248 1098775184 /nfs/dbraw/zinc/77/51/84/1098775184.db2.gz UIDNUKDAAAATMQ-QGZVFWFLSA-N 2 2 322.836 3.177 20 0 DGADLP Clc1cc2c(cc1C[N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)OCO2 ZINC001235047248 1098775189 /nfs/dbraw/zinc/77/51/89/1098775189.db2.gz UIDNUKDAAAATMQ-QGZVFWFLSA-N 2 2 322.836 3.177 20 0 DGADLP COc1cc(Cl)c(C[NH+]2CC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001235088663 1098790759 /nfs/dbraw/zinc/79/07/59/1098790759.db2.gz KHCINHZZPBUVEV-UHFFFAOYSA-N 2 2 315.244 3.187 20 0 DGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235124289 1098823056 /nfs/dbraw/zinc/82/30/56/1098823056.db2.gz LUMFAUCUFKVLIH-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235124289 1098823072 /nfs/dbraw/zinc/82/30/72/1098823072.db2.gz LUMFAUCUFKVLIH-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235143271 1098832180 /nfs/dbraw/zinc/83/21/80/1098832180.db2.gz KEYWJSVNIPFTBN-UHFFFAOYSA-N 2 2 306.425 3.331 20 0 DGADLP CC(C)Oc1cc(F)ccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235143271 1098832187 /nfs/dbraw/zinc/83/21/87/1098832187.db2.gz KEYWJSVNIPFTBN-UHFFFAOYSA-N 2 2 306.425 3.331 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC23CC[NH2+]CC3)ccc1Br ZINC001235141738 1098833790 /nfs/dbraw/zinc/83/37/90/1098833790.db2.gz XLPXGWYXVHKNOQ-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP Cc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)ccc1Br ZINC001235141738 1098833798 /nfs/dbraw/zinc/83/37/98/1098833798.db2.gz XLPXGWYXVHKNOQ-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(-c2ccccc2)nc1)[NH+]1CCCCC1 ZINC001178462550 1098839016 /nfs/dbraw/zinc/83/90/16/1098839016.db2.gz GYWVWSXKKITLCW-KRWDZBQOSA-N 2 2 324.472 3.498 20 0 DGADLP COc1ccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235167531 1098849392 /nfs/dbraw/zinc/84/93/92/1098849392.db2.gz KQGKLLGYJHVNDZ-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP COc1ccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235167531 1098849396 /nfs/dbraw/zinc/84/93/96/1098849396.db2.gz KQGKLLGYJHVNDZ-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2n1 ZINC001235179573 1098861701 /nfs/dbraw/zinc/86/17/01/1098861701.db2.gz SCPFESHLVZQDIM-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2n1 ZINC001235179573 1098861709 /nfs/dbraw/zinc/86/17/09/1098861709.db2.gz SCPFESHLVZQDIM-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235185463 1098862870 /nfs/dbraw/zinc/86/28/70/1098862870.db2.gz VQJBCFUTEPQNKH-PWSUYJOCSA-N 2 2 318.770 3.400 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235185463 1098862880 /nfs/dbraw/zinc/86/28/80/1098862880.db2.gz VQJBCFUTEPQNKH-PWSUYJOCSA-N 2 2 318.770 3.400 20 0 DGADLP Oc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc(F)c1F ZINC001235237335 1098910028 /nfs/dbraw/zinc/91/00/28/1098910028.db2.gz AINBOINPVJQWST-HNNXBMFYSA-N 2 2 310.388 3.025 20 0 DGADLP Fc1ncc(Cl)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235238757 1098910720 /nfs/dbraw/zinc/91/07/20/1098910720.db2.gz IHEDTORZJUGGGS-HNNXBMFYSA-N 2 2 311.832 3.228 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3cccc(F)c3)nc1)C2 ZINC001235246208 1098919988 /nfs/dbraw/zinc/91/99/88/1098919988.db2.gz VOLSFRKVQRFOKF-VQIMIIECSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3cccc(F)c3)nc1)C2 ZINC001235246208 1098919994 /nfs/dbraw/zinc/91/99/94/1098919994.db2.gz VOLSFRKVQRFOKF-VQIMIIECSA-N 2 2 311.404 3.201 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235248049 1098920560 /nfs/dbraw/zinc/92/05/60/1098920560.db2.gz LYBGNJUJOKBBCZ-IEBWSBKVSA-N 2 2 302.462 3.404 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235248049 1098920569 /nfs/dbraw/zinc/92/05/69/1098920569.db2.gz LYBGNJUJOKBBCZ-IEBWSBKVSA-N 2 2 302.462 3.404 20 0 DGADLP Brc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235254611 1098927401 /nfs/dbraw/zinc/92/74/01/1098927401.db2.gz KIQXQBHAQLKIHO-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235254611 1098927409 /nfs/dbraw/zinc/92/74/09/1098927409.db2.gz KIQXQBHAQLKIHO-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235254613 1098927492 /nfs/dbraw/zinc/92/74/92/1098927492.db2.gz KIQXQBHAQLKIHO-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235254613 1098927502 /nfs/dbraw/zinc/92/75/02/1098927502.db2.gz KIQXQBHAQLKIHO-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)s2)cc1 ZINC001235255301 1098927885 /nfs/dbraw/zinc/92/78/85/1098927885.db2.gz DFAJTRVCKSEEGF-WMLDXEAASA-N 2 2 314.454 3.217 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)s2)cc1 ZINC001235255301 1098927893 /nfs/dbraw/zinc/92/78/93/1098927893.db2.gz DFAJTRVCKSEEGF-WMLDXEAASA-N 2 2 314.454 3.217 20 0 DGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)c(F)c1 ZINC001235261178 1098932858 /nfs/dbraw/zinc/93/28/58/1098932858.db2.gz PEVIUKPUSOKEDB-DNVCBOLYSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)c(F)c1 ZINC001235261178 1098932867 /nfs/dbraw/zinc/93/28/67/1098932867.db2.gz PEVIUKPUSOKEDB-DNVCBOLYSA-N 2 2 314.379 3.426 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235276517 1098941854 /nfs/dbraw/zinc/94/18/54/1098941854.db2.gz ZEEAOXOLNWPMIZ-TZMCWYRMSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235276517 1098941862 /nfs/dbraw/zinc/94/18/62/1098941862.db2.gz ZEEAOXOLNWPMIZ-TZMCWYRMSA-N 2 2 316.392 3.482 20 0 DGADLP CCCC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179010232 1098996617 /nfs/dbraw/zinc/99/66/17/1098996617.db2.gz WRXKYBMWULRROV-UHFFFAOYSA-N 2 2 316.449 3.014 20 0 DGADLP Cc1csc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235403635 1098998852 /nfs/dbraw/zinc/99/88/52/1098998852.db2.gz LPANSMQDFKZNFV-GXTWGEPZSA-N 2 2 302.846 3.233 20 0 DGADLP Cc1csc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235403635 1098998860 /nfs/dbraw/zinc/99/88/60/1098998860.db2.gz LPANSMQDFKZNFV-GXTWGEPZSA-N 2 2 302.846 3.233 20 0 DGADLP Cc1csc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235403636 1099001264 /nfs/dbraw/zinc/00/12/64/1099001264.db2.gz LPANSMQDFKZNFV-JSGCOSHPSA-N 2 2 302.846 3.233 20 0 DGADLP Cc1csc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235403636 1099001275 /nfs/dbraw/zinc/00/12/75/1099001275.db2.gz LPANSMQDFKZNFV-JSGCOSHPSA-N 2 2 302.846 3.233 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407675 1099003305 /nfs/dbraw/zinc/00/33/05/1099003305.db2.gz SRUJDOLHDNGHAH-LSDHHAIUSA-N 2 2 316.342 3.229 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407675 1099003315 /nfs/dbraw/zinc/00/33/15/1099003315.db2.gz SRUJDOLHDNGHAH-LSDHHAIUSA-N 2 2 316.342 3.229 20 0 DGADLP CCc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235409262 1099006296 /nfs/dbraw/zinc/00/62/96/1099006296.db2.gz VUFBSAGMHZFLSM-IRXDYDNUSA-N 2 2 310.844 3.426 20 0 DGADLP CCc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235409262 1099006309 /nfs/dbraw/zinc/00/63/09/1099006309.db2.gz VUFBSAGMHZFLSM-IRXDYDNUSA-N 2 2 310.844 3.426 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1cc(F)ccc1OCc1ccccc1 ZINC001235435293 1099033266 /nfs/dbraw/zinc/03/32/66/1099033266.db2.gz HOQRFEJSMPXNQR-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1cc(F)ccc1OCc1ccccc1 ZINC001235435293 1099033278 /nfs/dbraw/zinc/03/32/78/1099033278.db2.gz HOQRFEJSMPXNQR-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1ccc(F)c(OCc2ccccc2)c1F ZINC001235443703 1099036050 /nfs/dbraw/zinc/03/60/50/1099036050.db2.gz PJCJBNBXOVDLDY-UHFFFAOYSA-N 2 2 320.383 3.324 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(OCc2ccccc2)c1F ZINC001235443703 1099036064 /nfs/dbraw/zinc/03/60/64/1099036064.db2.gz PJCJBNBXOVDLDY-UHFFFAOYSA-N 2 2 320.383 3.324 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)c(F)c1Br ZINC001235464303 1099051664 /nfs/dbraw/zinc/05/16/64/1099051664.db2.gz CIQDNWQRGQSAKS-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(F)c1Br ZINC001235464303 1099051677 /nfs/dbraw/zinc/05/16/77/1099051677.db2.gz CIQDNWQRGQSAKS-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP COc1cncc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001235472338 1099056601 /nfs/dbraw/zinc/05/66/01/1099056601.db2.gz BECPEJTZCYBEHG-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1cncc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001235472338 1099056614 /nfs/dbraw/zinc/05/66/14/1099056614.db2.gz BECPEJTZCYBEHG-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277948360 1099060999 /nfs/dbraw/zinc/06/09/99/1099060999.db2.gz CMXMZJNJXDGQTD-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277948360 1099061012 /nfs/dbraw/zinc/06/10/12/1099061012.db2.gz CMXMZJNJXDGQTD-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277948360 1099061027 /nfs/dbraw/zinc/06/10/27/1099061027.db2.gz CMXMZJNJXDGQTD-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277948360 1099061038 /nfs/dbraw/zinc/06/10/38/1099061038.db2.gz CMXMZJNJXDGQTD-GOSISDBHSA-N 2 2 319.518 3.420 20 0 DGADLP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H](C)[NH3+])CC3)cc1 ZINC001235533782 1099081425 /nfs/dbraw/zinc/08/14/25/1099081425.db2.gz VRMVJNVPNKGGTI-GOSISDBHSA-N 3 2 315.505 3.020 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235712266 1099141940 /nfs/dbraw/zinc/14/19/40/1099141940.db2.gz ZWYFNJXPYMRDEB-UHFFFAOYSA-N 2 2 322.452 3.451 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235712266 1099141943 /nfs/dbraw/zinc/14/19/43/1099141943.db2.gz ZWYFNJXPYMRDEB-UHFFFAOYSA-N 2 2 322.452 3.451 20 0 DGADLP COCCC[N@H+](Cc1cccc2c1CCCC2)[C@H]1CCC[NH2+]C1 ZINC001235807811 1099189692 /nfs/dbraw/zinc/18/96/92/1099189692.db2.gz XEUIRDWMIVYDBL-IBGZPJMESA-N 2 2 316.489 3.156 20 0 DGADLP COCCC[N@@H+](Cc1cccc2c1CCCC2)[C@H]1CCC[NH2+]C1 ZINC001235807811 1099189696 /nfs/dbraw/zinc/18/96/96/1099189696.db2.gz XEUIRDWMIVYDBL-IBGZPJMESA-N 2 2 316.489 3.156 20 0 DGADLP COCCC[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001235812412 1099192349 /nfs/dbraw/zinc/19/23/49/1099192349.db2.gz ZZIHMHMCYDRKQM-QGZVFWFLSA-N 2 2 320.452 3.294 20 0 DGADLP COCCC[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001235812412 1099192352 /nfs/dbraw/zinc/19/23/52/1099192352.db2.gz ZZIHMHMCYDRKQM-QGZVFWFLSA-N 2 2 320.452 3.294 20 0 DGADLP COCCC[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@H]1CCC[NH2+]C1 ZINC001235812409 1099192609 /nfs/dbraw/zinc/19/26/09/1099192609.db2.gz ZZIHMHMCYDRKQM-KRWDZBQOSA-N 2 2 320.452 3.294 20 0 DGADLP COCCC[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@H]1CCC[NH2+]C1 ZINC001235812409 1099192613 /nfs/dbraw/zinc/19/26/13/1099192613.db2.gz ZZIHMHMCYDRKQM-KRWDZBQOSA-N 2 2 320.452 3.294 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1F ZINC001235926281 1099261251 /nfs/dbraw/zinc/26/12/51/1099261251.db2.gz WIEFKTPIKMSPKT-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@H]2CC[NH3+])cc1F ZINC001235926281 1099261258 /nfs/dbraw/zinc/26/12/58/1099261258.db2.gz WIEFKTPIKMSPKT-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c2c(OC)cccc12 ZINC001235902938 1099245840 /nfs/dbraw/zinc/24/58/40/1099245840.db2.gz HAZUZIBQIBDSIK-DZGCQCFKSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c2c(OC)cccc12 ZINC001235902938 1099245841 /nfs/dbraw/zinc/24/58/41/1099245841.db2.gz HAZUZIBQIBDSIK-DZGCQCFKSA-N 2 2 314.429 3.169 20 0 DGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907933 1099251190 /nfs/dbraw/zinc/25/11/90/1099251190.db2.gz VBTFJZFWOMJMQA-MFKMUULPSA-N 2 2 322.250 3.242 20 0 DGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907933 1099251199 /nfs/dbraw/zinc/25/11/99/1099251199.db2.gz VBTFJZFWOMJMQA-MFKMUULPSA-N 2 2 322.250 3.242 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235925148 1099261034 /nfs/dbraw/zinc/26/10/34/1099261034.db2.gz DENSZFQFBHYMQK-NSHDSACASA-N 2 2 315.230 3.210 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235925148 1099261046 /nfs/dbraw/zinc/26/10/46/1099261046.db2.gz DENSZFQFBHYMQK-NSHDSACASA-N 2 2 315.230 3.210 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927106 1099263765 /nfs/dbraw/zinc/26/37/65/1099263765.db2.gz BWQZIHVNKXWKJX-UHFFFAOYSA-N 2 2 310.441 3.101 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927106 1099263769 /nfs/dbraw/zinc/26/37/69/1099263769.db2.gz BWQZIHVNKXWKJX-UHFFFAOYSA-N 2 2 310.441 3.101 20 0 DGADLP CC(C)Oc1cc(C[N@H+](CC[NH3+])C(C)C)cc(OC(C)C)c1 ZINC001235947975 1099281651 /nfs/dbraw/zinc/28/16/51/1099281651.db2.gz MWNGLZAZICLODT-UHFFFAOYSA-N 2 2 308.466 3.430 20 0 DGADLP CC(C)Oc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(OC(C)C)c1 ZINC001235947975 1099281654 /nfs/dbraw/zinc/28/16/54/1099281654.db2.gz MWNGLZAZICLODT-UHFFFAOYSA-N 2 2 308.466 3.430 20 0 DGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1OCc1ccccc1)C2 ZINC001235960032 1099292481 /nfs/dbraw/zinc/29/24/81/1099292481.db2.gz SUNJGBQWTLVSJF-CEQLMSFQSA-N 2 2 322.452 3.435 20 0 DGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1OCc1ccccc1)C2 ZINC001235960032 1099292491 /nfs/dbraw/zinc/29/24/91/1099292491.db2.gz SUNJGBQWTLVSJF-CEQLMSFQSA-N 2 2 322.452 3.435 20 0 DGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccn1-c1ccc(Cl)cc1)C2 ZINC001235959180 1099292571 /nfs/dbraw/zinc/29/25/71/1099292571.db2.gz GMGPQXSRRNHBSU-ZSBFGKGUSA-N 2 2 315.848 3.300 20 0 DGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccn1-c1ccc(Cl)cc1)C2 ZINC001235959180 1099292575 /nfs/dbraw/zinc/29/25/75/1099292575.db2.gz GMGPQXSRRNHBSU-ZSBFGKGUSA-N 2 2 315.848 3.300 20 0 DGADLP CC[N@H+](Cc1ccccc1-c1nccs1)[C@H]1CCC[NH2+]C1 ZINC001236005191 1099326664 /nfs/dbraw/zinc/32/66/64/1099326664.db2.gz BOYBHDBXJWSRDT-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP CC[N@@H+](Cc1ccccc1-c1nccs1)[C@H]1CCC[NH2+]C1 ZINC001236005191 1099326673 /nfs/dbraw/zinc/32/66/73/1099326673.db2.gz BOYBHDBXJWSRDT-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1Cl ZINC001236008710 1099330335 /nfs/dbraw/zinc/33/03/35/1099330335.db2.gz MCTOGUXIZKWWFK-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050432 1099353237 /nfs/dbraw/zinc/35/32/37/1099353237.db2.gz SAMNJKLWLRNHHU-MFKMUULPSA-N 2 2 322.250 3.100 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050432 1099353245 /nfs/dbraw/zinc/35/32/45/1099353245.db2.gz SAMNJKLWLRNHHU-MFKMUULPSA-N 2 2 322.250 3.100 20 0 DGADLP Brc1ccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059791 1099359915 /nfs/dbraw/zinc/35/99/15/1099359915.db2.gz LAOGCGBBIGNZFY-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059791 1099359929 /nfs/dbraw/zinc/35/99/29/1099359929.db2.gz LAOGCGBBIGNZFY-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236065520 1099363791 /nfs/dbraw/zinc/36/37/91/1099363791.db2.gz AUEABPZKSCFMAH-LLVKDONJSA-N 2 2 322.758 3.280 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236065520 1099363802 /nfs/dbraw/zinc/36/38/02/1099363802.db2.gz AUEABPZKSCFMAH-LLVKDONJSA-N 2 2 322.758 3.280 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072765 1099369480 /nfs/dbraw/zinc/36/94/80/1099369480.db2.gz WWKJCMYYDDWGBR-HZMBPMFUSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072765 1099369490 /nfs/dbraw/zinc/36/94/90/1099369490.db2.gz WWKJCMYYDDWGBR-HZMBPMFUSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(F)cc3)cc2)C[C@@H]1[NH3+] ZINC001236094476 1099385161 /nfs/dbraw/zinc/38/51/61/1099385161.db2.gz XOFIDXWUXJMNSS-KUHUBIRLSA-N 2 2 313.420 3.373 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(F)cc3)cc2)C[C@@H]1[NH3+] ZINC001236094476 1099385175 /nfs/dbraw/zinc/38/51/75/1099385175.db2.gz XOFIDXWUXJMNSS-KUHUBIRLSA-N 2 2 313.420 3.373 20 0 DGADLP C[NH2+]CC[N@H+](Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001236107138 1099393851 /nfs/dbraw/zinc/39/38/51/1099393851.db2.gz OFQHLDLCZCJVMR-QGZVFWFLSA-N 2 2 312.457 3.348 20 0 DGADLP C[NH2+]CC[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001236107138 1099393864 /nfs/dbraw/zinc/39/38/64/1099393864.db2.gz OFQHLDLCZCJVMR-QGZVFWFLSA-N 2 2 312.457 3.348 20 0 DGADLP CCC[N@H+](Cc1cc(F)c(F)cc1OCC)C1CC[NH2+]CC1 ZINC001236184794 1099454583 /nfs/dbraw/zinc/45/45/83/1099454583.db2.gz PRNYHWFVVXKLLO-UHFFFAOYSA-N 2 2 312.404 3.328 20 0 DGADLP CCC[N@@H+](Cc1cc(F)c(F)cc1OCC)C1CC[NH2+]CC1 ZINC001236184794 1099454591 /nfs/dbraw/zinc/45/45/91/1099454591.db2.gz PRNYHWFVVXKLLO-UHFFFAOYSA-N 2 2 312.404 3.328 20 0 DGADLP Fc1cccc(F)c1[C@H]1CCC[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001236189001 1099456260 /nfs/dbraw/zinc/45/62/60/1099456260.db2.gz HLMKVGYDFCIUFZ-QGZVFWFLSA-N 2 2 317.383 3.207 20 0 DGADLP Fc1cccc(F)c1[C@H]1CCC[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001236189001 1099456266 /nfs/dbraw/zinc/45/62/66/1099456266.db2.gz HLMKVGYDFCIUFZ-QGZVFWFLSA-N 2 2 317.383 3.207 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc(C)c1F ZINC001236196219 1099458503 /nfs/dbraw/zinc/45/85/03/1099458503.db2.gz WCUSDOHULWMYRD-KRWDZBQOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc(C)c1F ZINC001236196219 1099458512 /nfs/dbraw/zinc/45/85/12/1099458512.db2.gz WCUSDOHULWMYRD-KRWDZBQOSA-N 2 2 314.404 3.343 20 0 DGADLP C[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213700 1099469797 /nfs/dbraw/zinc/46/97/97/1099469797.db2.gz BCWMDMMCABLBKX-KGLIPLIRSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213700 1099469801 /nfs/dbraw/zinc/46/98/01/1099469801.db2.gz BCWMDMMCABLBKX-KGLIPLIRSA-N 2 2 315.230 3.290 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219123 1099475633 /nfs/dbraw/zinc/47/56/33/1099475633.db2.gz UQUJTGZGFUVEIS-CABCVRRESA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219123 1099475640 /nfs/dbraw/zinc/47/56/40/1099475640.db2.gz UQUJTGZGFUVEIS-CABCVRRESA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1cccn1-c1ccccc1F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219633 1099478251 /nfs/dbraw/zinc/47/82/51/1099478251.db2.gz WZPWYJXHZBLENM-WMZOPIPTSA-N 2 2 301.409 3.318 20 0 DGADLP C[N@@H+](Cc1cccn1-c1ccccc1F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219633 1099478255 /nfs/dbraw/zinc/47/82/55/1099478255.db2.gz WZPWYJXHZBLENM-WMZOPIPTSA-N 2 2 301.409 3.318 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C1(C)CC[NH2+]CC1 ZINC001236226442 1099483986 /nfs/dbraw/zinc/48/39/86/1099483986.db2.gz LQIJBIJORALAOI-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C1(C)CC[NH2+]CC1 ZINC001236226442 1099483989 /nfs/dbraw/zinc/48/39/89/1099483989.db2.gz LQIJBIJORALAOI-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP COCC[N@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236331269 1099542044 /nfs/dbraw/zinc/54/20/44/1099542044.db2.gz BAMCZKNODCJXML-PXNSSMCTSA-N 2 2 318.505 3.299 20 0 DGADLP COCC[N@@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236331269 1099542054 /nfs/dbraw/zinc/54/20/54/1099542054.db2.gz BAMCZKNODCJXML-PXNSSMCTSA-N 2 2 318.505 3.299 20 0 DGADLP CC[N@@H+](Cc1cccc(C(F)(F)F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410354 1099584820 /nfs/dbraw/zinc/58/48/20/1099584820.db2.gz ZCKRCXVPUGOINE-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1cccc(C(F)(F)F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410354 1099584829 /nfs/dbraw/zinc/58/48/29/1099584829.db2.gz ZCKRCXVPUGOINE-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413371 1099587316 /nfs/dbraw/zinc/58/73/16/1099587316.db2.gz OINMGXGNBSJWTQ-YRWFTTLQSA-N 2 2 310.441 3.277 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413371 1099587326 /nfs/dbraw/zinc/58/73/26/1099587326.db2.gz OINMGXGNBSJWTQ-YRWFTTLQSA-N 2 2 310.441 3.277 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]c2nccc(Cl)c12)[C@@H]1CCC[NH2+]C1 ZINC001236470690 1099630453 /nfs/dbraw/zinc/63/04/53/1099630453.db2.gz LNAMCGOUVYQCHP-CYBMUJFWSA-N 2 2 306.841 3.179 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]c2nccc(Cl)c12)[C@@H]1CCC[NH2+]C1 ZINC001236470690 1099630462 /nfs/dbraw/zinc/63/04/62/1099630462.db2.gz LNAMCGOUVYQCHP-CYBMUJFWSA-N 2 2 306.841 3.179 20 0 DGADLP CC(C)[N@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236469797 1099630567 /nfs/dbraw/zinc/63/05/67/1099630567.db2.gz XIDMQLSNMWOBCM-OAHLLOKOSA-N 2 2 311.267 3.412 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236469797 1099630572 /nfs/dbraw/zinc/63/05/72/1099630572.db2.gz XIDMQLSNMWOBCM-OAHLLOKOSA-N 2 2 311.267 3.412 20 0 DGADLP CC(C)Oc1cncc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001236522233 1099658718 /nfs/dbraw/zinc/65/87/18/1099658718.db2.gz YLJZWFDQZBWYCP-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cncc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001236522233 1099658726 /nfs/dbraw/zinc/65/87/26/1099658726.db2.gz YLJZWFDQZBWYCP-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)[N@H+](Cc1cccc(-c2nccs2)c1)[C@@H]1CC[NH2+]C1 ZINC001236528730 1099663689 /nfs/dbraw/zinc/66/36/89/1099663689.db2.gz IDRKGTINTBXWDO-MRXNPFEDSA-N 2 2 301.459 3.382 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(-c2nccs2)c1)[C@@H]1CC[NH2+]C1 ZINC001236528730 1099663694 /nfs/dbraw/zinc/66/36/94/1099663694.db2.gz IDRKGTINTBXWDO-MRXNPFEDSA-N 2 2 301.459 3.382 20 0 DGADLP Cc1c(C)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Br ZINC001236615051 1099705728 /nfs/dbraw/zinc/70/57/28/1099705728.db2.gz DBGBFIOWSWQROO-HNNXBMFYSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1c(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Br ZINC001236615051 1099705738 /nfs/dbraw/zinc/70/57/38/1099705738.db2.gz DBGBFIOWSWQROO-HNNXBMFYSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1ccc2[nH+]cc(CN([C@@H]3CC[NH2+]C3)C3CCCCC3)n2c1 ZINC001236651371 1099721049 /nfs/dbraw/zinc/72/10/49/1099721049.db2.gz HPEIYRKRHRGIPJ-QGZVFWFLSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1cccc2c(C[N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)[nH]nc21 ZINC001236650659 1099721318 /nfs/dbraw/zinc/72/13/18/1099721318.db2.gz CTEBTFYPTCJIEO-MRXNPFEDSA-N 2 2 312.461 3.368 20 0 DGADLP Cc1cccc2c(C[N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)[nH]nc21 ZINC001236650659 1099721330 /nfs/dbraw/zinc/72/13/30/1099721330.db2.gz CTEBTFYPTCJIEO-MRXNPFEDSA-N 2 2 312.461 3.368 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2c1cccc2Br ZINC001236868768 1099842241 /nfs/dbraw/zinc/84/22/41/1099842241.db2.gz HZNGBTFMQRSURB-NSHDSACASA-N 2 2 310.239 3.100 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2c1cccc2Br ZINC001236868768 1099842249 /nfs/dbraw/zinc/84/22/49/1099842249.db2.gz HZNGBTFMQRSURB-NSHDSACASA-N 2 2 310.239 3.100 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(F)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843743 1099829109 /nfs/dbraw/zinc/82/91/09/1099829109.db2.gz QQHTVDXPZCWYGC-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(F)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236843743 1099829116 /nfs/dbraw/zinc/82/91/16/1099829116.db2.gz QQHTVDXPZCWYGC-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP Cc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1Cl ZINC001236854141 1099837119 /nfs/dbraw/zinc/83/71/19/1099837119.db2.gz SHIHUADCYIAFEE-UHFFFAOYSA-N 2 2 321.852 3.278 20 0 DGADLP C[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001236894128 1099856093 /nfs/dbraw/zinc/85/60/93/1099856093.db2.gz DVNXYQKXTTYUPO-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001236894128 1099856100 /nfs/dbraw/zinc/85/61/00/1099856100.db2.gz DVNXYQKXTTYUPO-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP COC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904824 1099868692 /nfs/dbraw/zinc/86/86/92/1099868692.db2.gz WODVKSYYJXGPOR-UHFFFAOYSA-N 2 2 305.809 3.137 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001236909749 1099870270 /nfs/dbraw/zinc/87/02/70/1099870270.db2.gz XIKSPRVMOCZBPI-QGZVFWFLSA-N 2 2 317.820 3.138 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001236909749 1099870278 /nfs/dbraw/zinc/87/02/78/1099870278.db2.gz XIKSPRVMOCZBPI-QGZVFWFLSA-N 2 2 317.820 3.138 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1O ZINC001236908955 1099870458 /nfs/dbraw/zinc/87/04/58/1099870458.db2.gz UMTVLHBYCLGKBG-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1O ZINC001236908955 1099870467 /nfs/dbraw/zinc/87/04/67/1099870467.db2.gz UMTVLHBYCLGKBG-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP CO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914591 1099872961 /nfs/dbraw/zinc/87/29/61/1099872961.db2.gz YPYYGVFWFPPSFL-HNNXBMFYSA-N 2 2 305.809 3.137 20 0 DGADLP CO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914591 1099872965 /nfs/dbraw/zinc/87/29/65/1099872965.db2.gz YPYYGVFWFPPSFL-HNNXBMFYSA-N 2 2 305.809 3.137 20 0 DGADLP CCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236913535 1099873008 /nfs/dbraw/zinc/87/30/08/1099873008.db2.gz HQMBUQBOTSUZSC-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914102 1099873549 /nfs/dbraw/zinc/87/35/49/1099873549.db2.gz QEIODGRLJLNEAA-UONOGXRCSA-N 2 2 319.836 3.119 20 0 DGADLP COCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236914579 1099874447 /nfs/dbraw/zinc/87/44/47/1099874447.db2.gz YJUNWEKXECOFRO-UHFFFAOYSA-N 2 2 319.836 3.384 20 0 DGADLP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236912441 1099874825 /nfs/dbraw/zinc/87/48/25/1099874825.db2.gz TYCMFVPUBYJBOA-YDHLFZDLSA-N 2 2 305.784 3.458 20 0 DGADLP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236912441 1099874833 /nfs/dbraw/zinc/87/48/33/1099874833.db2.gz TYCMFVPUBYJBOA-YDHLFZDLSA-N 2 2 305.784 3.458 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236917228 1099877803 /nfs/dbraw/zinc/87/78/03/1099877803.db2.gz PHDIYJMUPANDNF-DYVFJYSZSA-N 2 2 317.820 3.137 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236917228 1099877815 /nfs/dbraw/zinc/87/78/15/1099877815.db2.gz PHDIYJMUPANDNF-DYVFJYSZSA-N 2 2 317.820 3.137 20 0 DGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C(C)C ZINC001236923088 1099879963 /nfs/dbraw/zinc/87/99/63/1099879963.db2.gz RKZAMWFWRYUVOC-UHFFFAOYSA-N 2 2 307.825 3.383 20 0 DGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C(C)C ZINC001236923088 1099879967 /nfs/dbraw/zinc/87/99/67/1099879967.db2.gz RKZAMWFWRYUVOC-UHFFFAOYSA-N 2 2 307.825 3.383 20 0 DGADLP COCCC[N@H+](Cc1c(C)sc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001236946157 1099887528 /nfs/dbraw/zinc/88/75/28/1099887528.db2.gz MQYMPOKHCJQJGB-HNNXBMFYSA-N 2 2 318.486 3.410 20 0 DGADLP COCCC[N@@H+](Cc1c(C)sc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001236946157 1099887534 /nfs/dbraw/zinc/88/75/34/1099887534.db2.gz MQYMPOKHCJQJGB-HNNXBMFYSA-N 2 2 318.486 3.410 20 0 DGADLP Oc1cc(F)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc1F ZINC001236962346 1099893350 /nfs/dbraw/zinc/89/33/50/1099893350.db2.gz WKSQGRJMRJKZAF-UHFFFAOYSA-N 2 2 324.415 3.272 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237059393 1099951138 /nfs/dbraw/zinc/95/11/38/1099951138.db2.gz UQJHZAFOVFZRPU-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237059393 1099951146 /nfs/dbraw/zinc/95/11/46/1099951146.db2.gz UQJHZAFOVFZRPU-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001237095057 1099966740 /nfs/dbraw/zinc/96/67/40/1099966740.db2.gz HBPYPNOLFPTHET-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001237095057 1099966750 /nfs/dbraw/zinc/96/67/50/1099966750.db2.gz HBPYPNOLFPTHET-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP Clc1cc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2cn1 ZINC001237158494 1100007517 /nfs/dbraw/zinc/00/75/17/1100007517.db2.gz YVRQNKOFOXCWDJ-AWEZNQCLSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1cc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2cn1 ZINC001237158494 1100007524 /nfs/dbraw/zinc/00/75/24/1100007524.db2.gz YVRQNKOFOXCWDJ-AWEZNQCLSA-N 2 2 318.852 3.323 20 0 DGADLP Fc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001237161847 1100010393 /nfs/dbraw/zinc/01/03/93/1100010393.db2.gz RIONSYOYJDVMTH-HNNXBMFYSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001237161847 1100010402 /nfs/dbraw/zinc/01/04/02/1100010402.db2.gz RIONSYOYJDVMTH-HNNXBMFYSA-N 2 2 301.409 3.414 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001237263217 1100049778 /nfs/dbraw/zinc/04/97/78/1100049778.db2.gz AXWILJTVIBGPPN-IRXDYDNUSA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001237263217 1100049785 /nfs/dbraw/zinc/04/97/85/1100049785.db2.gz AXWILJTVIBGPPN-IRXDYDNUSA-N 2 2 302.462 3.405 20 0 DGADLP CCc1cccc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001237328259 1100078824 /nfs/dbraw/zinc/07/88/24/1100078824.db2.gz XQKRPSWRXRHKAN-UHFFFAOYSA-N 2 2 324.472 3.286 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)F)c(F)c1 ZINC001237357709 1100093453 /nfs/dbraw/zinc/09/34/53/1100093453.db2.gz DAMVHMKTYACOKE-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP c1ccc(OCC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237359888 1100094123 /nfs/dbraw/zinc/09/41/23/1100094123.db2.gz RAXCTAVFCSVXDS-UHFFFAOYSA-N 2 2 308.425 3.160 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382697 1100100837 /nfs/dbraw/zinc/10/08/37/1100100837.db2.gz MSSPAHMBTIFSOB-GDBMZVCRSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382697 1100100840 /nfs/dbraw/zinc/10/08/40/1100100840.db2.gz MSSPAHMBTIFSOB-GDBMZVCRSA-N 2 2 312.379 3.322 20 0 DGADLP COc1ccc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001237710803 1100221189 /nfs/dbraw/zinc/22/11/89/1100221189.db2.gz BVUHXLSWHALXNJ-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC001237830534 1100262400 /nfs/dbraw/zinc/26/24/00/1100262400.db2.gz PEDLDHONPJCCCE-CQSZACIVSA-N 2 2 303.431 3.144 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC001237830534 1100262403 /nfs/dbraw/zinc/26/24/03/1100262403.db2.gz PEDLDHONPJCCCE-CQSZACIVSA-N 2 2 303.431 3.144 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237832785 1100263593 /nfs/dbraw/zinc/26/35/93/1100263593.db2.gz GVWPQQVYXYMYHQ-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237832785 1100263597 /nfs/dbraw/zinc/26/35/97/1100263597.db2.gz GVWPQQVYXYMYHQ-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237995814 1100319841 /nfs/dbraw/zinc/31/98/41/1100319841.db2.gz JJPVCSRUGZRQAM-UHFFFAOYSA-N 2 2 306.841 3.134 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237995814 1100319849 /nfs/dbraw/zinc/31/98/49/1100319849.db2.gz JJPVCSRUGZRQAM-UHFFFAOYSA-N 2 2 306.841 3.134 20 0 DGADLP Cc1cccnc1O[C@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112267 1100363503 /nfs/dbraw/zinc/36/35/03/1100363503.db2.gz CMLNOMHLQGZELV-SFHVURJKSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112267 1100363512 /nfs/dbraw/zinc/36/35/12/1100363512.db2.gz CMLNOMHLQGZELV-SFHVURJKSA-N 2 2 322.412 3.081 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c[nH+]cn21 ZINC001238112058 1100365170 /nfs/dbraw/zinc/36/51/70/1100365170.db2.gz AKAYRBAKNSOBEI-IRXDYDNUSA-N 3 2 312.461 3.173 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc2c[nH+]cn21 ZINC001238112058 1100365177 /nfs/dbraw/zinc/36/51/77/1100365177.db2.gz AKAYRBAKNSOBEI-IRXDYDNUSA-N 3 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112058 1100365179 /nfs/dbraw/zinc/36/51/79/1100365179.db2.gz AKAYRBAKNSOBEI-IRXDYDNUSA-N 3 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112058 1100365188 /nfs/dbraw/zinc/36/51/88/1100365188.db2.gz AKAYRBAKNSOBEI-IRXDYDNUSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1cccc(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c1C ZINC001238118190 1100367404 /nfs/dbraw/zinc/36/74/04/1100367404.db2.gz HWBQGKHYHGVFDH-UHFFFAOYSA-N 2 2 320.440 3.273 20 0 DGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(F)ccnc2Cl)CC1 ZINC001238228278 1100400752 /nfs/dbraw/zinc/40/07/52/1100400752.db2.gz AQSRWNHBMGAABY-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(F)ccnc2Cl)CC1 ZINC001238228278 1100400753 /nfs/dbraw/zinc/40/07/53/1100400753.db2.gz AQSRWNHBMGAABY-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)c(OC(C)C)c3)C[C@@H]2C1 ZINC001238465041 1100451727 /nfs/dbraw/zinc/45/17/27/1100451727.db2.gz PUGPVDMERKMOES-IRXDYDNUSA-N 2 2 320.452 3.387 20 0 DGADLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cnc1F ZINC001238465872 1100451887 /nfs/dbraw/zinc/45/18/87/1100451887.db2.gz WWSJHDIHAPTDQQ-UHFFFAOYSA-N 2 2 321.440 3.068 20 0 DGADLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cnc1F ZINC001238465872 1100451888 /nfs/dbraw/zinc/45/18/88/1100451888.db2.gz WWSJHDIHAPTDQQ-UHFFFAOYSA-N 2 2 321.440 3.068 20 0 DGADLP Fc1c(Cl)cccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001238957722 1100562680 /nfs/dbraw/zinc/56/26/80/1100562680.db2.gz XTXZYRLTPOHIQH-UHFFFAOYSA-N 2 2 301.752 3.481 20 0 DGADLP CC[NH+](CC)CCn1cc(-c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001239207964 1100596996 /nfs/dbraw/zinc/59/69/96/1100596996.db2.gz GQDKYSDTKLYRSE-UHFFFAOYSA-N 2 2 309.417 3.078 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(C)C)c1F ZINC001278298601 1100682751 /nfs/dbraw/zinc/68/27/51/1100682751.db2.gz CFAYDJQKBSXJGA-MQVJKMGUSA-N 2 2 306.425 3.328 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(C)C)c1F ZINC001278298601 1100682753 /nfs/dbraw/zinc/68/27/53/1100682753.db2.gz CFAYDJQKBSXJGA-MQVJKMGUSA-N 2 2 306.425 3.328 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001239581170 1100694432 /nfs/dbraw/zinc/69/44/32/1100694432.db2.gz XDPMPPLMPVINGW-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001239581170 1100694436 /nfs/dbraw/zinc/69/44/36/1100694436.db2.gz XDPMPPLMPVINGW-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001239750822 1100742963 /nfs/dbraw/zinc/74/29/63/1100742963.db2.gz VZDNJVKKVVGCTN-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001239750822 1100742964 /nfs/dbraw/zinc/74/29/64/1100742964.db2.gz VZDNJVKKVVGCTN-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP Cn1ccc2cc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)ccc21 ZINC001239941980 1100806345 /nfs/dbraw/zinc/80/63/45/1100806345.db2.gz CCVJFKFCOIVGPN-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2cc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)ccc21 ZINC001239941980 1100806347 /nfs/dbraw/zinc/80/63/47/1100806347.db2.gz CCVJFKFCOIVGPN-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4cnccc43)cc2)C1 ZINC001240010677 1100831469 /nfs/dbraw/zinc/83/14/69/1100831469.db2.gz UPULMFPUJDEADL-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4cnccc43)cc2)C1 ZINC001240010677 1100831476 /nfs/dbraw/zinc/83/14/76/1100831476.db2.gz UPULMFPUJDEADL-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc4[nH+]ccn4c3)c2)CC1 ZINC001240218988 1100900604 /nfs/dbraw/zinc/90/06/04/1100900604.db2.gz SZCALXARXWIJRB-UHFFFAOYSA-N 3 2 320.440 3.172 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccnc(C(F)(F)F)c3)c2)C1 ZINC001240341746 1100949336 /nfs/dbraw/zinc/94/93/36/1100949336.db2.gz QWNGTZBQDZVUFB-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccnc(C(F)(F)F)c3)c2)C1 ZINC001240341746 1100949343 /nfs/dbraw/zinc/94/93/43/1100949343.db2.gz QWNGTZBQDZVUFB-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001240464289 1101008966 /nfs/dbraw/zinc/00/89/66/1101008966.db2.gz WFVOQAGZSJMVAH-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001240464289 1101008970 /nfs/dbraw/zinc/00/89/70/1101008970.db2.gz WFVOQAGZSJMVAH-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000079720882 1101054210 /nfs/dbraw/zinc/05/42/10/1101054210.db2.gz ZWUBJABBVRVKIL-MRXNPFEDSA-N 2 2 305.397 3.235 20 0 DGADLP c1[nH+]cn2cccc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)c12 ZINC001240866017 1101164616 /nfs/dbraw/zinc/16/46/16/1101164616.db2.gz ADSIPVBWUYWSIG-UHFFFAOYSA-N 2 2 319.408 3.323 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4cccnc43)c2)C1 ZINC001240895920 1101172855 /nfs/dbraw/zinc/17/28/55/1101172855.db2.gz LLNHEABHPVOXPP-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4cccnc43)c2)C1 ZINC001240895920 1101172857 /nfs/dbraw/zinc/17/28/57/1101172857.db2.gz LLNHEABHPVOXPP-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4ncccc43)c2)C1 ZINC001240939539 1101188129 /nfs/dbraw/zinc/18/81/29/1101188129.db2.gz YGIUWNUKSGIRBG-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4ncccc43)c2)C1 ZINC001240939539 1101188134 /nfs/dbraw/zinc/18/81/34/1101188134.db2.gz YGIUWNUKSGIRBG-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001240963849 1101199474 /nfs/dbraw/zinc/19/94/74/1101199474.db2.gz WMBAUBISCYNWIM-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001240963849 1101199477 /nfs/dbraw/zinc/19/94/77/1101199477.db2.gz WMBAUBISCYNWIM-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP CCOc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001241069736 1101241801 /nfs/dbraw/zinc/24/18/01/1101241801.db2.gz BBGYIWWKVLYTFY-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001241069736 1101241805 /nfs/dbraw/zinc/24/18/05/1101241805.db2.gz BBGYIWWKVLYTFY-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001241086608 1101248193 /nfs/dbraw/zinc/24/81/93/1101248193.db2.gz DBAVUCKYXKEAHW-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001241086608 1101248196 /nfs/dbraw/zinc/24/81/96/1101248196.db2.gz DBAVUCKYXKEAHW-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(F)c(F)cc3F)cc2)C1 ZINC001241112303 1101259190 /nfs/dbraw/zinc/25/91/90/1101259190.db2.gz OMUCVHDOJUOFNX-CYBMUJFWSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(F)c(F)cc3F)cc2)C1 ZINC001241112303 1101259197 /nfs/dbraw/zinc/25/91/97/1101259197.db2.gz OMUCVHDOJUOFNX-CYBMUJFWSA-N 2 2 306.331 3.304 20 0 DGADLP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001241250056 1101319668 /nfs/dbraw/zinc/31/96/68/1101319668.db2.gz FNSGUKIPGYFZEA-UHFFFAOYSA-N 3 2 324.472 3.046 20 0 DGADLP CCOc1cc(F)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241319155 1101374362 /nfs/dbraw/zinc/37/43/62/1101374362.db2.gz ASFKWZAMNZGFBN-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@H]2CC[NH+]2CCC(C)CC2)[nH+]c1C ZINC001196936126 1101437190 /nfs/dbraw/zinc/43/71/90/1101437190.db2.gz PYRFSHNEGDBCAN-QGZVFWFLSA-N 2 2 304.482 3.113 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](CCSc1ccc(Cl)cc1)CC2 ZINC001197105304 1101479489 /nfs/dbraw/zinc/47/94/89/1101479489.db2.gz SHHSPFIMOHRZFM-UHFFFAOYSA-N 2 2 319.861 3.468 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](CCSc1ccc(Cl)cc1)CC2 ZINC001197105304 1101479490 /nfs/dbraw/zinc/47/94/90/1101479490.db2.gz SHHSPFIMOHRZFM-UHFFFAOYSA-N 2 2 319.861 3.468 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001241524124 1101534450 /nfs/dbraw/zinc/53/44/50/1101534450.db2.gz TUKDQFMMCYQKGZ-OAHLLOKOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001241524124 1101534453 /nfs/dbraw/zinc/53/44/53/1101534453.db2.gz TUKDQFMMCYQKGZ-OAHLLOKOSA-N 2 2 306.413 3.071 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001197739873 1101657982 /nfs/dbraw/zinc/65/79/82/1101657982.db2.gz VWFXJSCIQCTETI-AWEZNQCLSA-N 2 2 306.425 3.120 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3cccc4[nH+]ccn43)cc2)CC1 ZINC001241743292 1101672854 /nfs/dbraw/zinc/67/28/54/1101672854.db2.gz NRYKVZBYOHKLRP-UHFFFAOYSA-N 2 2 306.413 3.143 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(OCC4CC4)nc3)c2)C1 ZINC001242215281 1101987082 /nfs/dbraw/zinc/98/70/82/1101987082.db2.gz PYVAWXNYGKAXFE-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OCC4CC4)nc3)c2)C1 ZINC001242215281 1101987088 /nfs/dbraw/zinc/98/70/88/1101987088.db2.gz PYVAWXNYGKAXFE-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3cnccc3c2)C1 ZINC001242247074 1102005993 /nfs/dbraw/zinc/00/59/93/1102005993.db2.gz QILXCWSTAZTAMC-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cnccc3c2)C1 ZINC001242247074 1102006008 /nfs/dbraw/zinc/00/60/08/1102006008.db2.gz QILXCWSTAZTAMC-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4cnccc4c3)c2)C1 ZINC001242246864 1102006251 /nfs/dbraw/zinc/00/62/51/1102006251.db2.gz LDQPCHNVSQEIIB-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4cnccc4c3)c2)C1 ZINC001242246864 1102006267 /nfs/dbraw/zinc/00/62/67/1102006267.db2.gz LDQPCHNVSQEIIB-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242284329 1102025959 /nfs/dbraw/zinc/02/59/59/1102025959.db2.gz ADHIYVAJFBMSTG-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242284329 1102025970 /nfs/dbraw/zinc/02/59/70/1102025970.db2.gz ADHIYVAJFBMSTG-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)c(COC)c1C ZINC001198907710 1102030791 /nfs/dbraw/zinc/03/07/91/1102030791.db2.gz FKMZCRKAQWIVKW-KRWDZBQOSA-N 2 2 304.478 3.332 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)c(COC)c1C ZINC001198907710 1102030800 /nfs/dbraw/zinc/03/08/00/1102030800.db2.gz FKMZCRKAQWIVKW-KRWDZBQOSA-N 2 2 304.478 3.332 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N(C)C)CC1 ZINC001199067807 1102057478 /nfs/dbraw/zinc/05/74/78/1102057478.db2.gz GIQLVZDQYSDRBR-UHFFFAOYSA-N 2 2 309.885 3.368 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)C1 ZINC001199392489 1102119816 /nfs/dbraw/zinc/11/98/16/1102119816.db2.gz TUAAHFMJPIUAFA-IRXDYDNUSA-N 2 2 316.489 3.433 20 0 DGADLP COCc1csc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC001199752120 1102205440 /nfs/dbraw/zinc/20/54/40/1102205440.db2.gz XMQOMVSJDPKYBD-UHFFFAOYSA-N 2 2 313.426 3.370 20 0 DGADLP c1cc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cnc2s1 ZINC001242682082 1102283885 /nfs/dbraw/zinc/28/38/85/1102283885.db2.gz UZHALJIBQYKTDB-UHFFFAOYSA-N 2 2 306.394 3.298 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc4ccccc4n3)ccn12 ZINC001242774314 1102333362 /nfs/dbraw/zinc/33/33/62/1102333362.db2.gz RMZLKXMEUIUAMM-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cscc1Br ZINC001205904407 1102450008 /nfs/dbraw/zinc/45/00/08/1102450008.db2.gz UWFFFUKFXBFDSG-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cscc1Br ZINC001205904407 1102450014 /nfs/dbraw/zinc/45/00/14/1102450014.db2.gz UWFFFUKFXBFDSG-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)s1 ZINC001205903891 1102456543 /nfs/dbraw/zinc/45/65/43/1102456543.db2.gz RWBBOFISHPZBBK-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)s1 ZINC001205903891 1102456548 /nfs/dbraw/zinc/45/65/48/1102456548.db2.gz RWBBOFISHPZBBK-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP CSc1ncc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1C ZINC001243149444 1102554589 /nfs/dbraw/zinc/55/45/89/1102554589.db2.gz YAROXCUTBSBZIP-UHFFFAOYSA-N 2 2 310.426 3.113 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411850 1102580671 /nfs/dbraw/zinc/58/06/71/1102580671.db2.gz SVMGYHCDPKRCJA-SXLOBPIMSA-N 2 2 311.473 3.192 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411850 1102580679 /nfs/dbraw/zinc/58/06/79/1102580679.db2.gz SVMGYHCDPKRCJA-SXLOBPIMSA-N 2 2 311.473 3.192 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411850 1102580685 /nfs/dbraw/zinc/58/06/85/1102580685.db2.gz SVMGYHCDPKRCJA-SXLOBPIMSA-N 2 2 311.473 3.192 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CC=CCC4)C[C@@H]3C2)ccn1 ZINC001201411850 1102580688 /nfs/dbraw/zinc/58/06/88/1102580688.db2.gz SVMGYHCDPKRCJA-SXLOBPIMSA-N 2 2 311.473 3.192 20 0 DGADLP CCC[C@@H](C)C[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201545694 1102634091 /nfs/dbraw/zinc/63/40/91/1102634091.db2.gz ZJFLCPMAIBCGIV-MRXNPFEDSA-N 2 2 304.482 3.121 20 0 DGADLP CCC[C@@H](C)C[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201545694 1102634094 /nfs/dbraw/zinc/63/40/94/1102634094.db2.gz ZJFLCPMAIBCGIV-MRXNPFEDSA-N 2 2 304.482 3.121 20 0 DGADLP Clc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc(Cl)n1 ZINC001243369687 1102688877 /nfs/dbraw/zinc/68/88/77/1102688877.db2.gz PHESPXBPCLZMFM-UHFFFAOYSA-N 2 2 319.195 3.390 20 0 DGADLP CSc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)n1 ZINC001243582081 1102823820 /nfs/dbraw/zinc/82/38/20/1102823820.db2.gz ISERMBGCULRIDL-UHFFFAOYSA-N 2 2 310.426 3.113 20 0 DGADLP c1cc(-c2ccc([C@H]3CCC[NH2+]C3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001243903055 1103041485 /nfs/dbraw/zinc/04/14/85/1103041485.db2.gz KIVHTCUDEQSLCC-IBGZPJMESA-N 2 2 323.440 3.052 20 0 DGADLP c1ccc(C[N@@H+]2CCc3nc(C4=C[NH2+]CCC4)ccc3C2)cc1 ZINC001243947240 1103076362 /nfs/dbraw/zinc/07/63/62/1103076362.db2.gz FXYQXLVJHSAVIZ-UHFFFAOYSA-N 2 2 305.425 3.364 20 0 DGADLP c1ccc(C[N@H+]2CCc3nc(C4=C[NH2+]CCC4)ccc3C2)cc1 ZINC001243947240 1103076378 /nfs/dbraw/zinc/07/63/78/1103076378.db2.gz FXYQXLVJHSAVIZ-UHFFFAOYSA-N 2 2 305.425 3.364 20 0 DGADLP COCc1ccc(C)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244171813 1103253127 /nfs/dbraw/zinc/25/31/27/1103253127.db2.gz JPLHHZLSPPANJO-LJQANCHMSA-N 2 2 310.441 3.341 20 0 DGADLP COCc1ccc(C)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244171813 1103253134 /nfs/dbraw/zinc/25/31/34/1103253134.db2.gz JPLHHZLSPPANJO-LJQANCHMSA-N 2 2 310.441 3.341 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3[nH]c(=O)ccc3c2)C1 ZINC001244237654 1103303083 /nfs/dbraw/zinc/30/30/83/1103303083.db2.gz OVIGCBVMECCYND-KRWDZBQOSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3[nH]c(=O)ccc3c2)C1 ZINC001244237654 1103303100 /nfs/dbraw/zinc/30/31/00/1103303100.db2.gz OVIGCBVMECCYND-KRWDZBQOSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4[nH]c(=O)ccc4c3)cc2)C1 ZINC001244237376 1103303240 /nfs/dbraw/zinc/30/32/40/1103303240.db2.gz JWKZYJMGTFSUQV-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4[nH]c(=O)ccc4c3)cc2)C1 ZINC001244237376 1103303254 /nfs/dbraw/zinc/30/32/54/1103303254.db2.gz JWKZYJMGTFSUQV-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP C[C@@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)[NH+]1CCCCCC1 ZINC001326487079 1103336415 /nfs/dbraw/zinc/33/64/15/1103336415.db2.gz RSCAMGOQUZFHOI-ZFWWWQNUSA-N 2 2 300.406 3.055 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4[nH]c(=O)ccc43)cc2)C1 ZINC001244320477 1103357712 /nfs/dbraw/zinc/35/77/12/1103357712.db2.gz RBAIHXFDYMHBJR-MRXNPFEDSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4[nH]c(=O)ccc43)cc2)C1 ZINC001244320477 1103357725 /nfs/dbraw/zinc/35/77/25/1103357725.db2.gz RBAIHXFDYMHBJR-MRXNPFEDSA-N 2 2 319.408 3.140 20 0 DGADLP COc1ccc(C)c(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244569293 1103529603 /nfs/dbraw/zinc/52/96/03/1103529603.db2.gz SUEGGHPURYFEFN-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP COc1ccc(C)c(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244569293 1103529611 /nfs/dbraw/zinc/52/96/11/1103529611.db2.gz SUEGGHPURYFEFN-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001490705195 1103699493 /nfs/dbraw/zinc/69/94/93/1103699493.db2.gz JCCNLTDOQKVKIE-SJKOYZFVSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001327781697 1103723693 /nfs/dbraw/zinc/72/36/93/1103723693.db2.gz OAIQXIRBDLGQNX-UHFFFAOYSA-N 2 2 305.385 3.317 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC001327839430 1103738866 /nfs/dbraw/zinc/73/88/66/1103738866.db2.gz HRULIIURGWUURH-QWRGUYRKSA-N 2 2 315.255 3.106 20 0 DGADLP CNc1cc(-c2ccc3ncn([C@H]4CCC[NH2+]CC4)c3c2)cc[nH+]1 ZINC001244973312 1103787949 /nfs/dbraw/zinc/78/79/49/1103787949.db2.gz LYCGKGWLVBLKOR-INIZCTEOSA-N 2 2 321.428 3.455 20 0 DGADLP c1cc(-c2ccc3c(C4C[NH+](C[C@H]5CCOC5)C4)[nH+]cn3c2)co1 ZINC001202497699 1103812592 /nfs/dbraw/zinc/81/25/92/1103812592.db2.gz IWGJMRYFXZUAQK-CQSZACIVSA-N 2 2 323.396 3.030 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1F ZINC001206565038 1103829725 /nfs/dbraw/zinc/82/97/25/1103829725.db2.gz SLRZGEAWFZQIJW-QGZVFWFLSA-N 2 2 312.404 3.314 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1F ZINC001206565038 1103829740 /nfs/dbraw/zinc/82/97/40/1103829740.db2.gz SLRZGEAWFZQIJW-QGZVFWFLSA-N 2 2 312.404 3.314 20 0 DGADLP CCCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001245231579 1103922459 /nfs/dbraw/zinc/92/24/59/1103922459.db2.gz QINQCCITXOGBKN-KRWDZBQOSA-N 2 2 311.429 3.070 20 0 DGADLP CCCOc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001245231579 1103922465 /nfs/dbraw/zinc/92/24/65/1103922465.db2.gz QINQCCITXOGBKN-KRWDZBQOSA-N 2 2 311.429 3.070 20 0 DGADLP CCn1ncc2cc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)ccc21 ZINC001245236789 1103925646 /nfs/dbraw/zinc/92/56/46/1103925646.db2.gz HJTUKSCSGNEYAL-IBGZPJMESA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)ccc21 ZINC001245236789 1103925652 /nfs/dbraw/zinc/92/56/52/1103925652.db2.gz HJTUKSCSGNEYAL-IBGZPJMESA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc21 ZINC001245237527 1103927660 /nfs/dbraw/zinc/92/76/60/1103927660.db2.gz QTTDPPLLNRBUBH-UHFFFAOYSA-N 2 2 317.396 3.058 20 0 DGADLP c1ccc(N2CCCC2)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC001328401099 1103933604 /nfs/dbraw/zinc/93/36/04/1103933604.db2.gz RQGJMCVOUVFAKZ-UHFFFAOYSA-N 2 2 313.489 3.251 20 0 DGADLP CC(C)n1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137079651 1103961717 /nfs/dbraw/zinc/96/17/17/1103961717.db2.gz YFJOZHDPYZAVHM-PMACEKPBSA-N 2 2 324.472 3.028 20 0 DGADLP Cc1noc2ccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001245282381 1103961907 /nfs/dbraw/zinc/96/19/07/1103961907.db2.gz OZMBDNYCMNXASO-MRXNPFEDSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1noc2ccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001245282381 1103961915 /nfs/dbraw/zinc/96/19/15/1103961915.db2.gz OZMBDNYCMNXASO-MRXNPFEDSA-N 2 2 307.397 3.336 20 0 DGADLP COCC[N@H+](Cc1ccccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001137139355 1104005457 /nfs/dbraw/zinc/00/54/57/1104005457.db2.gz RUEXGABBKKIYEB-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP COCC[N@@H+](Cc1ccccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001137139355 1104005466 /nfs/dbraw/zinc/00/54/66/1104005466.db2.gz RUEXGABBKKIYEB-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)ccc1Br ZINC001328677819 1104019080 /nfs/dbraw/zinc/01/90/80/1104019080.db2.gz VMTYPNASPGXTPQ-SECBINFHSA-N 2 2 305.647 3.190 20 0 DGADLP Nc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1Cl ZINC001245467792 1104075115 /nfs/dbraw/zinc/07/51/15/1104075115.db2.gz CDXBDLZFALSGQG-AWEZNQCLSA-N 2 2 319.811 3.261 20 0 DGADLP Nc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1Cl ZINC001245467792 1104075127 /nfs/dbraw/zinc/07/51/27/1104075127.db2.gz CDXBDLZFALSGQG-AWEZNQCLSA-N 2 2 319.811 3.261 20 0 DGADLP Cc1cc(N2CCOCC2)[nH+]cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001245911301 1104302699 /nfs/dbraw/zinc/30/26/99/1104302699.db2.gz FIAGEJACEOLZKZ-UHFFFAOYSA-N 2 2 311.429 3.087 20 0 DGADLP Cc1cc(-c2ccc(C(C)(C)[NH3+])cc2)c[nH+]c1N1CCOCC1 ZINC001245914886 1104306033 /nfs/dbraw/zinc/30/60/33/1104306033.db2.gz WIJRGXRXULLMDY-UHFFFAOYSA-N 2 2 311.429 3.087 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246074961 1104369276 /nfs/dbraw/zinc/36/92/76/1104369276.db2.gz HKWYICKQMOUNLV-QAPCUYQASA-N 2 2 302.368 3.112 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246077692 1104372786 /nfs/dbraw/zinc/37/27/86/1104372786.db2.gz UBJDRCWIRQWRKM-YJBOKZPZSA-N 2 2 302.368 3.112 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246078858 1104375015 /nfs/dbraw/zinc/37/50/15/1104375015.db2.gz XJZKBISQWMFEBV-BBRMVZONSA-N 2 2 320.358 3.251 20 0 DGADLP CCC1CCC(C2CCC([NH2+][C@@H]3C[NH2+]CC[C@H]3O)CC2)CC1 ZINC001246089098 1104377581 /nfs/dbraw/zinc/37/75/81/1104377581.db2.gz YQQIHWLESMGBGH-XRKHFAFPSA-N 2 2 308.510 3.074 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC[NH2+]1 ZINC001246084138 1104378856 /nfs/dbraw/zinc/37/88/56/1104378856.db2.gz OHRZAIMWIMDOFG-LBPRGKRZSA-N 2 2 320.330 3.345 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113983 1104392354 /nfs/dbraw/zinc/39/23/54/1104392354.db2.gz OSDMQIQZNDHQOL-MLGOLLRUSA-N 2 2 316.823 3.482 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)CC[NH2+]1 ZINC001246163004 1104411589 /nfs/dbraw/zinc/41/15/89/1104411589.db2.gz UQKDFDSYAYWHBX-XHDPSFHLSA-N 2 2 300.368 3.360 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cccc(C(F)(F)F)c2F)C[C@H](C)[NH2+]1 ZINC001246161748 1104411649 /nfs/dbraw/zinc/41/16/49/1104411649.db2.gz LHSXHUBNQWEKQI-UWVGGRQHSA-N 2 2 304.331 3.463 20 0 DGADLP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246178123 1104424659 /nfs/dbraw/zinc/42/46/59/1104424659.db2.gz NMNQOHJZBAFNTE-UXHICEINSA-N 3 2 315.505 3.463 20 0 DGADLP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246178123 1104424663 /nfs/dbraw/zinc/42/46/63/1104424663.db2.gz NMNQOHJZBAFNTE-UXHICEINSA-N 3 2 315.505 3.463 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246183093 1104426340 /nfs/dbraw/zinc/42/63/40/1104426340.db2.gz DCTOBWCNRWOZJE-MOPGFXCFSA-N 3 2 303.494 3.191 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246183093 1104426342 /nfs/dbraw/zinc/42/63/42/1104426342.db2.gz DCTOBWCNRWOZJE-MOPGFXCFSA-N 3 2 303.494 3.191 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246183096 1104426460 /nfs/dbraw/zinc/42/64/60/1104426460.db2.gz DCTOBWCNRWOZJE-RTBURBONSA-N 3 2 303.494 3.191 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246183096 1104426463 /nfs/dbraw/zinc/42/64/63/1104426463.db2.gz DCTOBWCNRWOZJE-RTBURBONSA-N 3 2 303.494 3.191 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246184409 1104427963 /nfs/dbraw/zinc/42/79/63/1104427963.db2.gz KQYRVBTXMBTGLB-WOJBJXKFSA-N 3 2 317.521 3.061 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246184409 1104427967 /nfs/dbraw/zinc/42/79/67/1104427967.db2.gz KQYRVBTXMBTGLB-WOJBJXKFSA-N 3 2 317.521 3.061 20 0 DGADLP CC[C@@H]1CC([NH2+]Cc2c(OC)cccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246197032 1104434245 /nfs/dbraw/zinc/43/42/45/1104434245.db2.gz XQLGHJPQANXADJ-ZIAGYGMSSA-N 2 2 306.450 3.103 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246224802 1104446272 /nfs/dbraw/zinc/44/62/72/1104446272.db2.gz JDKYFEKMSWEWCJ-DGCLKSJQSA-N 2 2 302.796 3.484 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1F ZINC001246228575 1104447174 /nfs/dbraw/zinc/44/71/74/1104447174.db2.gz YFLZILUYNMZVOE-DLBZAZTESA-N 2 2 316.395 3.418 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246243603 1104455874 /nfs/dbraw/zinc/45/58/74/1104455874.db2.gz JNQLOSRBZWSFDF-MISYRCLQSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243603 1104455880 /nfs/dbraw/zinc/45/58/80/1104455880.db2.gz JNQLOSRBZWSFDF-MISYRCLQSA-N 3 2 315.505 3.161 20 0 DGADLP c1ccc(-c2ccc(OCC[NH2+][C@@H]3CCCC[NH2+]C3)cc2)cc1 ZINC001246248608 1104458613 /nfs/dbraw/zinc/45/86/13/1104458613.db2.gz GUAUCERVBCHGTG-LJQANCHMSA-N 2 2 310.441 3.464 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC001246249356 1104459084 /nfs/dbraw/zinc/45/90/84/1104459084.db2.gz OYJGKXVELUDLCO-CHWSQXEVSA-N 2 2 315.230 3.208 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246252725 1104460953 /nfs/dbraw/zinc/46/09/53/1104460953.db2.gz BSMREIDXYQYMBE-LMDPOFIKSA-N 3 2 307.526 3.009 20 0 DGADLP COc1cc(F)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246261397 1104463764 /nfs/dbraw/zinc/46/37/64/1104463764.db2.gz DGIUITXUPSZNFF-MSOLQXFVSA-N 2 2 314.404 3.417 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCCCC3)C1)CO2 ZINC001246277485 1104470974 /nfs/dbraw/zinc/47/09/74/1104470974.db2.gz HTFWCGGYDLQNLJ-ZBFHGGJFSA-N 2 2 304.409 3.304 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[NH2+][C@@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246405176 1104528879 /nfs/dbraw/zinc/52/88/79/1104528879.db2.gz LEUMKQXHYJCBCH-DZGCQCFKSA-N 2 2 324.415 3.440 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CCOCC2)c2cccc(F)c2)C[NH2+]1 ZINC001246409984 1104531566 /nfs/dbraw/zinc/53/15/66/1104531566.db2.gz VRMMIIWFDUWLIC-ZMYBRWDISA-N 2 2 320.452 3.414 20 0 DGADLP Fc1cccc([C@H](CC2CCOCC2)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246409959 1104531783 /nfs/dbraw/zinc/53/17/83/1104531783.db2.gz VMDCLVYTGOAPOA-OALUTQOASA-N 2 2 320.452 3.415 20 0 DGADLP Fc1cccc([C@H](CC2CCOCC2)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246409958 1104531810 /nfs/dbraw/zinc/53/18/10/1104531810.db2.gz VMDCLVYTGOAPOA-MOPGFXCFSA-N 2 2 320.452 3.415 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246440775 1104539558 /nfs/dbraw/zinc/53/95/58/1104539558.db2.gz XIZBQXSZUJLKQX-XJKSGUPXSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCOCC2)c2ccccc2)C[NH2+]1 ZINC001246453225 1104544521 /nfs/dbraw/zinc/54/45/21/1104544521.db2.gz AWUHPHQHTRPVRU-MNEFBYGVSA-N 2 2 302.462 3.275 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]C1(Cc2ccccc2)CC[NH2+]CC1 ZINC001246455282 1104546489 /nfs/dbraw/zinc/54/64/89/1104546489.db2.gz HZKWOHWGPOWFBV-SFHVURJKSA-N 3 2 317.521 3.061 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)CO2 ZINC001246463831 1104549562 /nfs/dbraw/zinc/54/95/62/1104549562.db2.gz XFTJZTAFTHXPCI-SJLPKXTDSA-N 2 2 320.864 3.155 20 0 DGADLP COc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274997380 1104570239 /nfs/dbraw/zinc/57/02/39/1104570239.db2.gz UWESELXELGPJKB-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1c(F)cccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274997380 1104570249 /nfs/dbraw/zinc/57/02/49/1104570249.db2.gz UWESELXELGPJKB-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1c(F)cccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001274997380 1104570257 /nfs/dbraw/zinc/57/02/57/1104570257.db2.gz UWESELXELGPJKB-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1c(F)cccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001274997380 1104570266 /nfs/dbraw/zinc/57/02/66/1104570266.db2.gz UWESELXELGPJKB-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC001246511805 1104571042 /nfs/dbraw/zinc/57/10/42/1104571042.db2.gz CVQKZKLFTALWGU-SDJAHQOYSA-N 2 2 309.251 3.035 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2Cc3cccc(Cl)c3C2)c1 ZINC001246513054 1104571764 /nfs/dbraw/zinc/57/17/64/1104571764.db2.gz UWBVLVUYWDEWFO-KSSFIOAISA-N 2 2 316.832 3.105 20 0 DGADLP CCCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522405 1104575578 /nfs/dbraw/zinc/57/55/78/1104575578.db2.gz CNBGHQNYLLRWMQ-RHSMWYFYSA-N 2 2 306.450 3.422 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246535768 1104581039 /nfs/dbraw/zinc/58/10/39/1104581039.db2.gz KQRXJIIXYYAMPQ-QWFCFKBJSA-N 2 2 309.457 3.424 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246535768 1104581046 /nfs/dbraw/zinc/58/10/46/1104581046.db2.gz KQRXJIIXYYAMPQ-QWFCFKBJSA-N 2 2 309.457 3.424 20 0 DGADLP c1cc2n(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@H]2c1ccccc1 ZINC001246537380 1104581606 /nfs/dbraw/zinc/58/16/06/1104581606.db2.gz WDAZINUUWKZIPQ-WMWLNJEOSA-N 2 2 307.441 3.176 20 0 DGADLP c1cc2n(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@H]2c1ccccc1 ZINC001246537380 1104581615 /nfs/dbraw/zinc/58/16/15/1104581615.db2.gz WDAZINUUWKZIPQ-WMWLNJEOSA-N 2 2 307.441 3.176 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536881 1104582019 /nfs/dbraw/zinc/58/20/19/1104582019.db2.gz TZIQRZGDSQCDQB-HKUYNNGSSA-N 2 2 309.457 3.424 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536881 1104582024 /nfs/dbraw/zinc/58/20/24/1104582024.db2.gz TZIQRZGDSQCDQB-HKUYNNGSSA-N 2 2 309.457 3.424 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246535769 1104582545 /nfs/dbraw/zinc/58/25/45/1104582545.db2.gz KQRXJIIXYYAMPQ-WSTZPKSXSA-N 2 2 309.457 3.424 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246535769 1104582553 /nfs/dbraw/zinc/58/25/53/1104582553.db2.gz KQRXJIIXYYAMPQ-WSTZPKSXSA-N 2 2 309.457 3.424 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001275040579 1104585734 /nfs/dbraw/zinc/58/57/34/1104585734.db2.gz NUEWCDVREVBUAK-IEBWSBKVSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001275040579 1104585740 /nfs/dbraw/zinc/58/57/40/1104585740.db2.gz NUEWCDVREVBUAK-IEBWSBKVSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CC=CCC1)C2 ZINC001275040579 1104585748 /nfs/dbraw/zinc/58/57/48/1104585748.db2.gz NUEWCDVREVBUAK-IEBWSBKVSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CC=CCC1)C2 ZINC001275040579 1104585755 /nfs/dbraw/zinc/58/57/55/1104585755.db2.gz NUEWCDVREVBUAK-IEBWSBKVSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001275038591 1104589731 /nfs/dbraw/zinc/58/97/31/1104589731.db2.gz DRJQFYIOWCJREK-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001275038591 1104589738 /nfs/dbraw/zinc/58/97/38/1104589738.db2.gz DRJQFYIOWCJREK-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC001275038591 1104589746 /nfs/dbraw/zinc/58/97/46/1104589746.db2.gz DRJQFYIOWCJREK-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC001275038591 1104589753 /nfs/dbraw/zinc/58/97/53/1104589753.db2.gz DRJQFYIOWCJREK-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246572616 1104601076 /nfs/dbraw/zinc/60/10/76/1104601076.db2.gz OMEZPTRAOYUVMD-NWDGAFQWSA-N 2 2 316.823 3.481 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246572616 1104601084 /nfs/dbraw/zinc/60/10/84/1104601084.db2.gz OMEZPTRAOYUVMD-NWDGAFQWSA-N 2 2 316.823 3.481 20 0 DGADLP CCC(CC)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275068972 1104605819 /nfs/dbraw/zinc/60/58/19/1104605819.db2.gz BXASFJVFVWZLPQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CCC(CC)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275068972 1104605824 /nfs/dbraw/zinc/60/58/24/1104605824.db2.gz BXASFJVFVWZLPQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CCC(CC)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275068972 1104605830 /nfs/dbraw/zinc/60/58/30/1104605830.db2.gz BXASFJVFVWZLPQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CCC(CC)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275068972 1104605835 /nfs/dbraw/zinc/60/58/35/1104605835.db2.gz BXASFJVFVWZLPQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599120 1104616823 /nfs/dbraw/zinc/61/68/23/1104616823.db2.gz QAKUNGNHNZAYCN-IRXDYDNUSA-N 2 2 316.445 3.084 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599120 1104616826 /nfs/dbraw/zinc/61/68/26/1104616826.db2.gz QAKUNGNHNZAYCN-IRXDYDNUSA-N 2 2 316.445 3.084 20 0 DGADLP C[C@H]1CC[C@H]([NH+]2CCC3(CNc4ccc(Cl)cc43)CC2)C[NH2+]1 ZINC001246608996 1104623759 /nfs/dbraw/zinc/62/37/59/1104623759.db2.gz YZWUAYIPLINKAO-ZFWWWQNUSA-N 2 2 319.880 3.240 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CCc2ccc(Br)cc2)C1 ZINC001246815216 1104688735 /nfs/dbraw/zinc/68/87/35/1104688735.db2.gz VNZBEXOSUGVHCM-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CCc2ccc(Br)cc2)C1 ZINC001246815216 1104688738 /nfs/dbraw/zinc/68/87/38/1104688738.db2.gz VNZBEXOSUGVHCM-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(Br)c3C2)C[C@H](C)[NH2+]1 ZINC001246667522 1104656014 /nfs/dbraw/zinc/65/60/14/1104656014.db2.gz GUZNYLIJGONRDN-DABQJJPHSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3cccc(Br)c3C2)C[C@H](C)[NH2+]1 ZINC001246667522 1104656022 /nfs/dbraw/zinc/65/60/22/1104656022.db2.gz GUZNYLIJGONRDN-DABQJJPHSA-N 2 2 323.278 3.336 20 0 DGADLP CC[C@H]1CC([NH+]2CCN(c3ccccc3F)CC2)C[C@H](CC)[NH2+]1 ZINC001246779967 1104670402 /nfs/dbraw/zinc/67/04/02/1104670402.db2.gz RLQFXWRTODBJMA-HOTGVXAUSA-N 2 2 319.468 3.257 20 0 DGADLP c1ccc(C[C@H]2C[C@H]([N@@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780572 1104670687 /nfs/dbraw/zinc/67/06/87/1104670687.db2.gz CQYYPVCTKBLZPI-VQTJNVASSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[C@H]2C[C@H]([N@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780572 1104670692 /nfs/dbraw/zinc/67/06/92/1104670692.db2.gz CQYYPVCTKBLZPI-VQTJNVASSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780574 1104670787 /nfs/dbraw/zinc/67/07/87/1104670787.db2.gz CQYYPVCTKBLZPI-WOJBJXKFSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780574 1104670793 /nfs/dbraw/zinc/67/07/93/1104670793.db2.gz CQYYPVCTKBLZPI-WOJBJXKFSA-N 2 2 322.452 3.244 20 0 DGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784226 1104673353 /nfs/dbraw/zinc/67/33/53/1104673353.db2.gz WFPAYPNHIFKRGL-LSDHHAIUSA-N 2 2 310.869 3.490 20 0 DGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784226 1104673358 /nfs/dbraw/zinc/67/33/58/1104673358.db2.gz WFPAYPNHIFKRGL-LSDHHAIUSA-N 2 2 310.869 3.490 20 0 DGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246800494 1104682879 /nfs/dbraw/zinc/68/28/79/1104682879.db2.gz FCIMYWGTTRXRQL-CVEARBPZSA-N 2 2 322.493 3.247 20 0 DGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246800494 1104682883 /nfs/dbraw/zinc/68/28/83/1104682883.db2.gz FCIMYWGTTRXRQL-CVEARBPZSA-N 2 2 322.493 3.247 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246818887 1104690336 /nfs/dbraw/zinc/69/03/36/1104690336.db2.gz BYVQBEVTHFGZTA-XNJGSVPQSA-N 2 2 308.466 3.445 20 0 DGADLP C[C@@H]1CC([N@H+]2CCSC[C@H]2c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246818887 1104690337 /nfs/dbraw/zinc/69/03/37/1104690337.db2.gz BYVQBEVTHFGZTA-XNJGSVPQSA-N 2 2 308.466 3.445 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822042 1104691834 /nfs/dbraw/zinc/69/18/34/1104691834.db2.gz LONSBRRSSVOHRZ-XNRPHZJLSA-N 2 2 323.278 3.379 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822042 1104691837 /nfs/dbraw/zinc/69/18/37/1104691837.db2.gz LONSBRRSSVOHRZ-XNRPHZJLSA-N 2 2 323.278 3.379 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC001246822535 1104691940 /nfs/dbraw/zinc/69/19/40/1104691940.db2.gz BPYLLRWLNIPOIR-GXTWGEPZSA-N 2 2 310.844 3.484 20 0 DGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246834653 1104695910 /nfs/dbraw/zinc/69/59/10/1104695910.db2.gz FTEUZAWEEZLFER-IXDOHACOSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246834653 1104695914 /nfs/dbraw/zinc/69/59/14/1104695914.db2.gz FTEUZAWEEZLFER-IXDOHACOSA-N 2 2 322.493 3.105 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841662 1104700815 /nfs/dbraw/zinc/70/08/15/1104700815.db2.gz DCVSDTACCXZCJI-AEFFLSMTSA-N 2 2 322.880 3.418 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841662 1104700822 /nfs/dbraw/zinc/70/08/22/1104700822.db2.gz DCVSDTACCXZCJI-AEFFLSMTSA-N 2 2 322.880 3.418 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246840797 1104702033 /nfs/dbraw/zinc/70/20/33/1104702033.db2.gz QBJCXYIAUWPRTM-SWLSCSKDSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246840797 1104702040 /nfs/dbraw/zinc/70/20/40/1104702040.db2.gz QBJCXYIAUWPRTM-SWLSCSKDSA-N 2 2 311.267 3.412 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292310 1104708858 /nfs/dbraw/zinc/70/88/58/1104708858.db2.gz XRXOGPKURZSSFB-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292310 1104708861 /nfs/dbraw/zinc/70/88/61/1104708861.db2.gz XRXOGPKURZSSFB-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292310 1104708867 /nfs/dbraw/zinc/70/88/67/1104708867.db2.gz XRXOGPKURZSSFB-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292310 1104708874 /nfs/dbraw/zinc/70/88/74/1104708874.db2.gz XRXOGPKURZSSFB-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246861131 1104711135 /nfs/dbraw/zinc/71/11/35/1104711135.db2.gz AEPFXSKIRXLROM-NOLJZWGESA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246861131 1104711142 /nfs/dbraw/zinc/71/11/42/1104711142.db2.gz AEPFXSKIRXLROM-NOLJZWGESA-N 2 2 323.278 3.064 20 0 DGADLP CO[C@@H]1CCC[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933039 1104742094 /nfs/dbraw/zinc/74/20/94/1104742094.db2.gz FZXKNDOTNIGXGS-CEXWTWQISA-N 2 2 320.452 3.337 20 0 DGADLP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933039 1104742098 /nfs/dbraw/zinc/74/20/98/1104742098.db2.gz FZXKNDOTNIGXGS-CEXWTWQISA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246935289 1104742562 /nfs/dbraw/zinc/74/25/62/1104742562.db2.gz LREKKKOMDHKBJI-IPMKNSEASA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246935289 1104742565 /nfs/dbraw/zinc/74/25/65/1104742565.db2.gz LREKKKOMDHKBJI-IPMKNSEASA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246935279 1104743608 /nfs/dbraw/zinc/74/36/08/1104743608.db2.gz LREKKKOMDHKBJI-CEXWTWQISA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246935279 1104743610 /nfs/dbraw/zinc/74/36/10/1104743610.db2.gz LREKKKOMDHKBJI-CEXWTWQISA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939411 1104744032 /nfs/dbraw/zinc/74/40/32/1104744032.db2.gz VDEHVEMRDUGSRL-IPMKNSEASA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939411 1104744035 /nfs/dbraw/zinc/74/40/35/1104744035.db2.gz VDEHVEMRDUGSRL-IPMKNSEASA-N 2 2 320.452 3.337 20 0 DGADLP CC1(C)C[C@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CO1 ZINC001246951043 1104749572 /nfs/dbraw/zinc/74/95/72/1104749572.db2.gz HUSBUZZYEUHFKK-INIZCTEOSA-N 2 2 322.880 3.462 20 0 DGADLP CC1(C)C[C@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CO1 ZINC001246951043 1104749573 /nfs/dbraw/zinc/74/95/73/1104749573.db2.gz HUSBUZZYEUHFKK-INIZCTEOSA-N 2 2 322.880 3.462 20 0 DGADLP CC(C)[C@H]1C[C@@H]([N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974863 1104758159 /nfs/dbraw/zinc/75/81/59/1104758159.db2.gz KILPMUXSIIPCKX-GDAAHCPNSA-N 2 2 302.462 3.225 20 0 DGADLP CC(C)[C@H]1C[C@@H]([N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974863 1104758162 /nfs/dbraw/zinc/75/81/62/1104758162.db2.gz KILPMUXSIIPCKX-GDAAHCPNSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007572 1104773735 /nfs/dbraw/zinc/77/37/35/1104773735.db2.gz YJXCJIFVVDRMLF-YJBOKZPZSA-N 2 2 319.468 3.035 20 0 DGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001247006396 1104774501 /nfs/dbraw/zinc/77/45/01/1104774501.db2.gz UFYBMCZWTKDLFF-RCJHGTSTSA-N 2 2 319.468 3.033 20 0 DGADLP CCOc1cc2[nH]c(C3(C)CC[NH2+]CC3)[nH+]c2cc1OCC ZINC001247021590 1104780872 /nfs/dbraw/zinc/78/08/72/1104780872.db2.gz WOISSFCCACOKRC-UHFFFAOYSA-N 2 2 303.406 3.001 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3occc3Br)(C1)CCC2 ZINC001275802995 1104915120 /nfs/dbraw/zinc/91/51/20/1104915120.db2.gz RSBIQVJNCBOKPY-UONOGXRCSA-N 2 2 313.239 3.197 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC001247701914 1104960009 /nfs/dbraw/zinc/96/00/09/1104960009.db2.gz SYCYLEOTESUDJL-AWEZNQCLSA-N 2 2 314.776 3.016 20 0 DGADLP [NH3+]C1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CCCCC1 ZINC001247839651 1104998530 /nfs/dbraw/zinc/99/85/30/1104998530.db2.gz XRCKBMOCXRHJCP-UHFFFAOYSA-N 2 2 309.373 3.040 20 0 DGADLP c1cc2cc(-c3noc([C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)ccc2o1 ZINC001247857677 1105001395 /nfs/dbraw/zinc/00/13/95/1105001395.db2.gz DKLHWBUCUVINAP-AWEZNQCLSA-N 2 2 324.384 3.030 20 0 DGADLP c1cc2cccc(-c3noc([C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)c2o1 ZINC001247868222 1105003202 /nfs/dbraw/zinc/00/32/02/1105003202.db2.gz NNLIAKLLINXUTE-AWEZNQCLSA-N 2 2 324.384 3.030 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071087 1105008582 /nfs/dbraw/zinc/00/85/82/1105008582.db2.gz BUWOCRCDOBKQOR-LJQANCHMSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071087 1105008589 /nfs/dbraw/zinc/00/85/89/1105008589.db2.gz BUWOCRCDOBKQOR-LJQANCHMSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071087 1105008596 /nfs/dbraw/zinc/00/85/96/1105008596.db2.gz BUWOCRCDOBKQOR-LJQANCHMSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071087 1105008601 /nfs/dbraw/zinc/00/86/01/1105008601.db2.gz BUWOCRCDOBKQOR-LJQANCHMSA-N 2 2 312.461 3.139 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276187264 1105043000 /nfs/dbraw/zinc/04/30/00/1105043000.db2.gz AXKUOHIMLZYIDO-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276187264 1105043005 /nfs/dbraw/zinc/04/30/05/1105043005.db2.gz AXKUOHIMLZYIDO-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)ccc1F ZINC001276187264 1105043012 /nfs/dbraw/zinc/04/30/12/1105043012.db2.gz AXKUOHIMLZYIDO-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)ccc1F ZINC001276187264 1105043020 /nfs/dbraw/zinc/04/30/20/1105043020.db2.gz AXKUOHIMLZYIDO-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235894 1105056877 /nfs/dbraw/zinc/05/68/77/1105056877.db2.gz QWXKNYPXYXCSES-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235894 1105056883 /nfs/dbraw/zinc/05/68/83/1105056883.db2.gz QWXKNYPXYXCSES-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235894 1105056890 /nfs/dbraw/zinc/05/68/90/1105056890.db2.gz QWXKNYPXYXCSES-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235894 1105056896 /nfs/dbraw/zinc/05/68/96/1105056896.db2.gz QWXKNYPXYXCSES-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP Cc1cccc(Br)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001248619057 1105138220 /nfs/dbraw/zinc/13/82/20/1105138220.db2.gz TVBPRBVRZBXGPD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(Br)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001248619057 1105138223 /nfs/dbraw/zinc/13/82/23/1105138223.db2.gz TVBPRBVRZBXGPD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001248619057 1105138224 /nfs/dbraw/zinc/13/82/24/1105138224.db2.gz TVBPRBVRZBXGPD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001248619057 1105138230 /nfs/dbraw/zinc/13/82/30/1105138230.db2.gz TVBPRBVRZBXGPD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP CC[N@H+](Cc1ccc(SC)c(OC)c1)C1CC[NH+](C)CC1 ZINC001249377201 1105276691 /nfs/dbraw/zinc/27/66/91/1105276691.db2.gz JBWVBUPWXDKJRF-UHFFFAOYSA-N 2 2 308.491 3.333 20 0 DGADLP CC[N@@H+](Cc1ccc(SC)c(OC)c1)C1CC[NH+](C)CC1 ZINC001249377201 1105276693 /nfs/dbraw/zinc/27/66/93/1105276693.db2.gz JBWVBUPWXDKJRF-UHFFFAOYSA-N 2 2 308.491 3.333 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)nc1C ZINC001249902921 1105403664 /nfs/dbraw/zinc/40/36/64/1105403664.db2.gz RJDXDEMHOQNQKO-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)nc1C ZINC001249902921 1105403666 /nfs/dbraw/zinc/40/36/66/1105403666.db2.gz RJDXDEMHOQNQKO-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491503089 1105836108 /nfs/dbraw/zinc/83/61/08/1105836108.db2.gz DNADURXEQHVATE-VBROQKIQSA-N 2 2 314.433 3.017 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253189078 1105900218 /nfs/dbraw/zinc/90/02/18/1105900218.db2.gz FOQHQGJLNOMWOJ-YOEHRIQHSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253189078 1105900221 /nfs/dbraw/zinc/90/02/21/1105900221.db2.gz FOQHQGJLNOMWOJ-YOEHRIQHSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001253189074 1105900491 /nfs/dbraw/zinc/90/04/91/1105900491.db2.gz FOGACYXGVVUCDV-VQIMIIECSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001253189074 1105900495 /nfs/dbraw/zinc/90/04/95/1105900495.db2.gz FOGACYXGVVUCDV-VQIMIIECSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(c2ccccc2Cl)CC1 ZINC001253193188 1105901578 /nfs/dbraw/zinc/90/15/78/1105901578.db2.gz DZXSZCCNCJSXIN-MRXNPFEDSA-N 2 2 324.896 3.222 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254522228 1106090009 /nfs/dbraw/zinc/09/00/09/1106090009.db2.gz FEKIIBDHVMOZAA-HXUWFJFHSA-N 3 2 315.505 3.067 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254522228 1106090015 /nfs/dbraw/zinc/09/00/15/1106090015.db2.gz FEKIIBDHVMOZAA-HXUWFJFHSA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522228 1106090021 /nfs/dbraw/zinc/09/00/21/1106090021.db2.gz FEKIIBDHVMOZAA-HXUWFJFHSA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522228 1106090027 /nfs/dbraw/zinc/09/00/27/1106090027.db2.gz FEKIIBDHVMOZAA-HXUWFJFHSA-N 3 2 315.505 3.067 20 0 DGADLP Clc1cccc(OCCC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254836550 1106146175 /nfs/dbraw/zinc/14/61/75/1106146175.db2.gz MSGOFNAEDZYBDE-MRXNPFEDSA-N 2 2 308.853 3.183 20 0 DGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255107924 1106181849 /nfs/dbraw/zinc/18/18/49/1106181849.db2.gz KJIQXBCDJHWINR-MOPGFXCFSA-N 2 2 315.505 3.113 20 0 DGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255107924 1106181851 /nfs/dbraw/zinc/18/18/51/1106181851.db2.gz KJIQXBCDJHWINR-MOPGFXCFSA-N 2 2 315.505 3.113 20 0 DGADLP Cc1oncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123119 1106183837 /nfs/dbraw/zinc/18/38/37/1106183837.db2.gz YEVQUJSGXWLUHQ-LDLYASANSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1oncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123119 1106183842 /nfs/dbraw/zinc/18/38/42/1106183842.db2.gz YEVQUJSGXWLUHQ-LDLYASANSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255131342 1106186613 /nfs/dbraw/zinc/18/66/13/1106186613.db2.gz CONKJNPRBBQYGO-REPLKXPHSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255131342 1106186615 /nfs/dbraw/zinc/18/66/15/1106186615.db2.gz CONKJNPRBBQYGO-REPLKXPHSA-N 2 2 322.456 3.070 20 0 DGADLP CC1(C)C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001255137964 1106187576 /nfs/dbraw/zinc/18/75/76/1106187576.db2.gz ZFLBSYYPIPXPCN-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001255137964 1106187579 /nfs/dbraw/zinc/18/75/79/1106187579.db2.gz ZFLBSYYPIPXPCN-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001255137964 1106187582 /nfs/dbraw/zinc/18/75/82/1106187582.db2.gz ZFLBSYYPIPXPCN-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001255137964 1106187584 /nfs/dbraw/zinc/18/75/84/1106187584.db2.gz ZFLBSYYPIPXPCN-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@H+](Cc1cncnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150573 1106191444 /nfs/dbraw/zinc/19/14/44/1106191444.db2.gz WJUODVVQJHECJA-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP C[N@@H+](Cc1cncnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150573 1106191447 /nfs/dbraw/zinc/19/14/47/1106191447.db2.gz WJUODVVQJHECJA-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1cncnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150573 1106191451 /nfs/dbraw/zinc/19/14/51/1106191451.db2.gz WJUODVVQJHECJA-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1cncnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150573 1106191452 /nfs/dbraw/zinc/19/14/52/1106191452.db2.gz WJUODVVQJHECJA-ACDBMABISA-N 2 2 322.456 3.104 20 0 DGADLP CC1(C)CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001255304209 1106219555 /nfs/dbraw/zinc/21/95/55/1106219555.db2.gz IHNGGEZUGLORMG-IAGOWNOFSA-N 2 2 313.489 3.414 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255384770 1106238394 /nfs/dbraw/zinc/23/83/94/1106238394.db2.gz BLLLHKZZADHYRP-KRWDZBQOSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255384770 1106238396 /nfs/dbraw/zinc/23/83/96/1106238396.db2.gz BLLLHKZZADHYRP-KRWDZBQOSA-N 2 2 313.420 3.365 20 0 DGADLP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255394604 1106240420 /nfs/dbraw/zinc/24/04/20/1106240420.db2.gz WIHCOJBGJSFYSA-LJQANCHMSA-N 3 2 317.521 3.361 20 0 DGADLP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255394604 1106240425 /nfs/dbraw/zinc/24/04/25/1106240425.db2.gz WIHCOJBGJSFYSA-LJQANCHMSA-N 3 2 317.521 3.361 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255670908 1106291087 /nfs/dbraw/zinc/29/10/87/1106291087.db2.gz CRHWNZGWZCIEGT-JLYLLQBASA-N 3 2 307.526 3.244 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255670908 1106291090 /nfs/dbraw/zinc/29/10/90/1106291090.db2.gz CRHWNZGWZCIEGT-JLYLLQBASA-N 3 2 307.526 3.244 20 0 DGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711640 1106299591 /nfs/dbraw/zinc/29/95/91/1106299591.db2.gz DIJLPSBPNVSBAC-ZFWWWQNUSA-N 2 2 322.415 3.150 20 0 DGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711640 1106299593 /nfs/dbraw/zinc/29/95/93/1106299593.db2.gz DIJLPSBPNVSBAC-ZFWWWQNUSA-N 2 2 322.415 3.150 20 0 DGADLP Cc1[nH+]cn([C@H](C)Cc2ccccc2F)c1CSCC[NH3+] ZINC001255836122 1106323538 /nfs/dbraw/zinc/32/35/38/1106323538.db2.gz KZENSHWUIAUFAB-GFCCVEGCSA-N 2 2 307.438 3.326 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](C1CCCCCC1)C2 ZINC001255888711 1106339167 /nfs/dbraw/zinc/33/91/67/1106339167.db2.gz RDHPVBROLIMEGH-UHFFFAOYSA-N 2 2 302.466 3.017 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](C1CCCCCC1)C2 ZINC001255888711 1106339171 /nfs/dbraw/zinc/33/91/71/1106339171.db2.gz RDHPVBROLIMEGH-UHFFFAOYSA-N 2 2 302.466 3.017 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001255946466 1106346535 /nfs/dbraw/zinc/34/65/35/1106346535.db2.gz AEYGGKCSEOTKRO-KRWDZBQOSA-N 3 2 318.509 3.008 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001255956439 1106349662 /nfs/dbraw/zinc/34/96/62/1106349662.db2.gz JQBMVIJVROVUHY-INIZCTEOSA-N 2 2 307.457 3.068 20 0 DGADLP Fc1ccc(OC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256076522 1106364905 /nfs/dbraw/zinc/36/49/05/1106364905.db2.gz HGNBQQRMSFVCEZ-UHFFFAOYSA-N 2 2 318.436 3.296 20 0 DGADLP c1ccc(OC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256073260 1106365237 /nfs/dbraw/zinc/36/52/37/1106365237.db2.gz PXBPWQBHPXUHRD-UHFFFAOYSA-N 2 2 300.446 3.157 20 0 DGADLP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256217126 1106392209 /nfs/dbraw/zinc/39/22/09/1106392209.db2.gz YTJWUYXHILHFRM-GOSISDBHSA-N 2 2 316.445 3.094 20 0 DGADLP COC(=O)c1ccc([C@H]2CCCC[N@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256217126 1106392212 /nfs/dbraw/zinc/39/22/12/1106392212.db2.gz YTJWUYXHILHFRM-GOSISDBHSA-N 2 2 316.445 3.094 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522164 1106433129 /nfs/dbraw/zinc/43/31/29/1106433129.db2.gz DZYMHBKFAQDFSB-IEBWSBKVSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522164 1106433130 /nfs/dbraw/zinc/43/31/30/1106433130.db2.gz DZYMHBKFAQDFSB-IEBWSBKVSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522164 1106433134 /nfs/dbraw/zinc/43/31/34/1106433134.db2.gz DZYMHBKFAQDFSB-IEBWSBKVSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522164 1106433137 /nfs/dbraw/zinc/43/31/37/1106433137.db2.gz DZYMHBKFAQDFSB-IEBWSBKVSA-N 3 2 303.494 3.100 20 0 DGADLP C[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256537558 1106438015 /nfs/dbraw/zinc/43/80/15/1106438015.db2.gz ODKFDRBKZZFUBP-AEFFLSMTSA-N 3 2 312.461 3.000 20 0 DGADLP C[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537558 1106438017 /nfs/dbraw/zinc/43/80/17/1106438017.db2.gz ODKFDRBKZZFUBP-AEFFLSMTSA-N 3 2 312.461 3.000 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256551092 1106441219 /nfs/dbraw/zinc/44/12/19/1106441219.db2.gz PMYYFMTVHRIRQG-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256551092 1106441221 /nfs/dbraw/zinc/44/12/21/1106441221.db2.gz PMYYFMTVHRIRQG-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551092 1106441223 /nfs/dbraw/zinc/44/12/23/1106441223.db2.gz PMYYFMTVHRIRQG-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551092 1106441226 /nfs/dbraw/zinc/44/12/26/1106441226.db2.gz PMYYFMTVHRIRQG-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553362 1106442296 /nfs/dbraw/zinc/44/22/96/1106442296.db2.gz FQQGOWZYASEWMN-YWTNHNAXSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553362 1106442299 /nfs/dbraw/zinc/44/22/99/1106442299.db2.gz FQQGOWZYASEWMN-YWTNHNAXSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553362 1106442300 /nfs/dbraw/zinc/44/23/00/1106442300.db2.gz FQQGOWZYASEWMN-YWTNHNAXSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553362 1106442302 /nfs/dbraw/zinc/44/23/02/1106442302.db2.gz FQQGOWZYASEWMN-YWTNHNAXSA-N 2 2 302.462 3.149 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554779 1106442585 /nfs/dbraw/zinc/44/25/85/1106442585.db2.gz QQVZFAYMYKCGSP-QXAKKESOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554779 1106442588 /nfs/dbraw/zinc/44/25/88/1106442588.db2.gz QQVZFAYMYKCGSP-QXAKKESOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554779 1106442590 /nfs/dbraw/zinc/44/25/90/1106442590.db2.gz QQVZFAYMYKCGSP-QXAKKESOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554779 1106442592 /nfs/dbraw/zinc/44/25/92/1106442592.db2.gz QQVZFAYMYKCGSP-QXAKKESOSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCC3(CCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553824 1106442651 /nfs/dbraw/zinc/44/26/51/1106442651.db2.gz KUIPSXAPVTXIHB-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCC3(CCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553824 1106442653 /nfs/dbraw/zinc/44/26/53/1106442653.db2.gz KUIPSXAPVTXIHB-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554777 1106442773 /nfs/dbraw/zinc/44/27/73/1106442773.db2.gz QQVZFAYMYKCGSP-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554777 1106442776 /nfs/dbraw/zinc/44/27/76/1106442776.db2.gz QQVZFAYMYKCGSP-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554777 1106442778 /nfs/dbraw/zinc/44/27/78/1106442778.db2.gz QQVZFAYMYKCGSP-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554777 1106442782 /nfs/dbraw/zinc/44/27/82/1106442782.db2.gz QQVZFAYMYKCGSP-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP COC(=O)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001256555444 1106443634 /nfs/dbraw/zinc/44/36/34/1106443634.db2.gz ZJEQWMZFDBLLMG-KRWDZBQOSA-N 2 2 318.461 3.143 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOC[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559862 1106444692 /nfs/dbraw/zinc/44/46/92/1106444692.db2.gz OACAVPBMOSUUMK-AHRSYUTCSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOC[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559862 1106444694 /nfs/dbraw/zinc/44/46/94/1106444694.db2.gz OACAVPBMOSUUMK-AHRSYUTCSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCOC[C@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559862 1106444695 /nfs/dbraw/zinc/44/46/95/1106444695.db2.gz OACAVPBMOSUUMK-AHRSYUTCSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559862 1106444697 /nfs/dbraw/zinc/44/46/97/1106444697.db2.gz OACAVPBMOSUUMK-AHRSYUTCSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCc3cccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561167 1106444726 /nfs/dbraw/zinc/44/47/26/1106444726.db2.gz VXUALAGDCVQMOR-YLJYHZDGSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCc3cccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256561167 1106444727 /nfs/dbraw/zinc/44/47/27/1106444727.db2.gz VXUALAGDCVQMOR-YLJYHZDGSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561167 1106444728 /nfs/dbraw/zinc/44/47/28/1106444728.db2.gz VXUALAGDCVQMOR-YLJYHZDGSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561167 1106444729 /nfs/dbraw/zinc/44/47/29/1106444729.db2.gz VXUALAGDCVQMOR-YLJYHZDGSA-N 2 2 321.468 3.493 20 0 DGADLP CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559610 1106444755 /nfs/dbraw/zinc/44/47/55/1106444755.db2.gz MGJTXOOMBNQJLP-YSIASYRMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559610 1106444756 /nfs/dbraw/zinc/44/47/56/1106444756.db2.gz MGJTXOOMBNQJLP-YSIASYRMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559610 1106444757 /nfs/dbraw/zinc/44/47/57/1106444757.db2.gz MGJTXOOMBNQJLP-YSIASYRMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559610 1106444758 /nfs/dbraw/zinc/44/47/58/1106444758.db2.gz MGJTXOOMBNQJLP-YSIASYRMSA-N 2 2 316.489 3.396 20 0 DGADLP CCOC(=O)c1csc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256564060 1106446024 /nfs/dbraw/zinc/44/60/24/1106446024.db2.gz PNHQQYPINFCUMG-UHFFFAOYSA-N 2 2 324.490 3.277 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001256566533 1106446930 /nfs/dbraw/zinc/44/69/30/1106446930.db2.gz VDLSBLAWNKWZEQ-UHFFFAOYSA-N 3 2 321.553 3.494 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4nccnc43)CC2)cc1 ZINC001256600375 1106451938 /nfs/dbraw/zinc/45/19/38/1106451938.db2.gz FKGQLQOUASAOGV-IBGZPJMESA-N 2 2 322.456 3.108 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001256637142 1106459003 /nfs/dbraw/zinc/45/90/03/1106459003.db2.gz QHJOPKDUGUEQDT-FUHWJXTLSA-N 2 2 316.489 3.263 20 0 DGADLP Cc1[nH+]cn([C@@H](C)Cc2ccccc2Br)c1CC[NH3+] ZINC001256825650 1106491871 /nfs/dbraw/zinc/49/18/71/1106491871.db2.gz BMYOLNWOGLTLNM-NSHDSACASA-N 2 2 322.250 3.259 20 0 DGADLP c1cn([C@H]2CCO[C@H](c3ccccc3)C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001256824408 1106492062 /nfs/dbraw/zinc/49/20/62/1106492062.db2.gz OLQBBALAKBBSNC-BZSNNMDCSA-N 2 2 311.429 3.443 20 0 DGADLP F[C@@H]1CCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855706 1106498298 /nfs/dbraw/zinc/49/82/98/1106498298.db2.gz SKSWMYWOKWNALP-OAHLLOKOSA-N 2 2 313.367 3.120 20 0 DGADLP F[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855706 1106498303 /nfs/dbraw/zinc/49/83/03/1106498303.db2.gz SKSWMYWOKWNALP-OAHLLOKOSA-N 2 2 313.367 3.120 20 0 DGADLP CC1(C)CC([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC(C)(C)N1O ZINC001256900382 1106505953 /nfs/dbraw/zinc/50/59/53/1106505953.db2.gz NBKGXRJYAJZGCQ-OAHLLOKOSA-N 2 2 323.525 3.394 20 0 DGADLP CC1(C)CC([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC(C)(C)N1O ZINC001256900382 1106505959 /nfs/dbraw/zinc/50/59/59/1106505959.db2.gz NBKGXRJYAJZGCQ-OAHLLOKOSA-N 2 2 323.525 3.394 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001256906963 1106508468 /nfs/dbraw/zinc/50/84/68/1106508468.db2.gz WJZUYDOMBLFIKL-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001256906963 1106508470 /nfs/dbraw/zinc/50/84/70/1106508470.db2.gz WJZUYDOMBLFIKL-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458236 1106594003 /nfs/dbraw/zinc/59/40/03/1106594003.db2.gz YAPXPFFKKGLSCF-GDBMZVCRSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458236 1106594006 /nfs/dbraw/zinc/59/40/06/1106594006.db2.gz YAPXPFFKKGLSCF-GDBMZVCRSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458236 1106594008 /nfs/dbraw/zinc/59/40/08/1106594008.db2.gz YAPXPFFKKGLSCF-GDBMZVCRSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458236 1106594010 /nfs/dbraw/zinc/59/40/10/1106594010.db2.gz YAPXPFFKKGLSCF-GDBMZVCRSA-N 2 2 305.491 3.372 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001258010743 1106658179 /nfs/dbraw/zinc/65/81/79/1106658179.db2.gz FASWFGZXTUKEDP-UHFFFAOYSA-N 2 2 319.468 3.068 20 0 DGADLP CCOC(=O)CCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258118900 1106677299 /nfs/dbraw/zinc/67/72/99/1106677299.db2.gz DJCYCALTTCVPDA-HNNXBMFYSA-N 2 2 320.433 3.047 20 0 DGADLP C[N@H+](Cc1cccnc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140967 1106680281 /nfs/dbraw/zinc/68/02/81/1106680281.db2.gz PXOCUUUDUKDEIA-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[N@@H+](Cc1cccnc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140967 1106680282 /nfs/dbraw/zinc/68/02/82/1106680282.db2.gz PXOCUUUDUKDEIA-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001258394215 1106729393 /nfs/dbraw/zinc/72/93/93/1106729393.db2.gz FGIQUWNQIUXHTF-APWZRJJASA-N 2 2 316.489 3.480 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)cc1 ZINC001258394215 1106729394 /nfs/dbraw/zinc/72/93/94/1106729394.db2.gz FGIQUWNQIUXHTF-APWZRJJASA-N 2 2 316.489 3.480 20 0 DGADLP Cc1[nH+]cn(C2CCN(c3ccccc3Cl)CC2)c1CC[NH3+] ZINC001258535780 1106804399 /nfs/dbraw/zinc/80/43/99/1106804399.db2.gz PONOWMDWVOCIPG-UHFFFAOYSA-N 2 2 318.852 3.188 20 0 DGADLP COc1cc(N([C@@H]2CCC(C)(C)C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001258607056 1106847356 /nfs/dbraw/zinc/84/73/56/1106847356.db2.gz CCSUUXUYKVSOSU-MRXNPFEDSA-N 2 2 303.450 3.227 20 0 DGADLP C[C@H](Cc1cccnc1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001258617169 1106856955 /nfs/dbraw/zinc/85/69/55/1106856955.db2.gz PVMGTOCAUYHONP-NQIIRXRSSA-N 2 2 323.484 3.309 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258652201 1106881046 /nfs/dbraw/zinc/88/10/46/1106881046.db2.gz PTNPBWPHEZZKDS-LJQANCHMSA-N 3 2 305.510 3.000 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258652201 1106881058 /nfs/dbraw/zinc/88/10/58/1106881058.db2.gz PTNPBWPHEZZKDS-LJQANCHMSA-N 3 2 305.510 3.000 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H](C)Cc1cccc(Cl)c1)CC[NH2+]CC2 ZINC001258745559 1106946298 /nfs/dbraw/zinc/94/62/98/1106946298.db2.gz QVFBESAPSGKMAC-LBPRGKRZSA-N 2 2 303.837 3.337 20 0 DGADLP CCC[NH+]1CCC([NH2+]C2(c3ccccc3F)CCOCC2)CC1 ZINC001258769781 1106965553 /nfs/dbraw/zinc/96/55/53/1106965553.db2.gz IHPYQMKNUPQLBN-UHFFFAOYSA-N 2 2 320.452 3.295 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258816319 1106997815 /nfs/dbraw/zinc/99/78/15/1106997815.db2.gz BLRWCUKSVHRNHV-RSPOEFSDSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258816319 1106997827 /nfs/dbraw/zinc/99/78/27/1106997827.db2.gz BLRWCUKSVHRNHV-RSPOEFSDSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320463296 1107013928 /nfs/dbraw/zinc/01/39/28/1107013928.db2.gz GQFOFKQCWNNIOW-AWEZNQCLSA-N 2 2 316.449 3.097 20 0 DGADLP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317364909 1107267223 /nfs/dbraw/zinc/26/72/23/1107267223.db2.gz NDIBMKOMBYBCEE-IAGOWNOFSA-N 2 2 317.477 3.438 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CCC34CC(C3)C[NH2+]4)cc2)[nH+]c1C ZINC001262045564 1107592315 /nfs/dbraw/zinc/59/23/15/1107592315.db2.gz UEJDGKWBIDLLIQ-UHFFFAOYSA-N 2 2 324.428 3.164 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2)[nH+]c1C ZINC001262045388 1107592395 /nfs/dbraw/zinc/59/23/95/1107592395.db2.gz OMRKCAPAXSFWDJ-QFBILLFUSA-N 2 2 324.428 3.022 20 0 DGADLP CCO[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+](C)C ZINC001262207349 1107651752 /nfs/dbraw/zinc/65/17/52/1107651752.db2.gz ZBSYQWLXYDOHGU-RDTXWAMCSA-N 2 2 315.461 3.102 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(C(F)F)c2)s1 ZINC001323650783 1108043424 /nfs/dbraw/zinc/04/34/24/1108043424.db2.gz PKPPDXGTKLXPGJ-UHFFFAOYSA-N 2 2 311.401 3.432 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cc(C)ccc1C ZINC001318515914 1108073735 /nfs/dbraw/zinc/07/37/35/1108073735.db2.gz HJFWSBNIWDFDRB-UHFFFAOYSA-N 2 2 320.396 3.374 20 0 DGADLP CC[NH+](CC)[C@H](C(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001323958111 1108129513 /nfs/dbraw/zinc/12/95/13/1108129513.db2.gz AZJWWXNQOPNZTR-SFHVURJKSA-N 2 2 311.429 3.142 20 0 DGADLP CC(C)n1ncc2c1[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC001324699663 1108431775 /nfs/dbraw/zinc/43/17/75/1108431775.db2.gz DEBIVOPQESDUIO-QGZVFWFLSA-N 2 2 302.466 3.058 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(Cl)nc2c1 ZINC000390438905 1108673153 /nfs/dbraw/zinc/67/31/53/1108673153.db2.gz AKUWOEFEJOKCSJ-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(Cl)nc2c1 ZINC000390438905 1108673158 /nfs/dbraw/zinc/67/31/58/1108673158.db2.gz AKUWOEFEJOKCSJ-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948251 1108710103 /nfs/dbraw/zinc/71/01/03/1108710103.db2.gz LJYWXMWWFBDHEA-WMZOPIPTSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948251 1108710113 /nfs/dbraw/zinc/71/01/13/1108710113.db2.gz LJYWXMWWFBDHEA-WMZOPIPTSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948251 1108710124 /nfs/dbraw/zinc/71/01/24/1108710124.db2.gz LJYWXMWWFBDHEA-WMZOPIPTSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948251 1108710134 /nfs/dbraw/zinc/71/01/34/1108710134.db2.gz LJYWXMWWFBDHEA-WMZOPIPTSA-N 2 2 301.478 3.201 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1F ZINC001308039479 1111369896 /nfs/dbraw/zinc/36/98/96/1111369896.db2.gz FHISQENYOGZURV-AWEZNQCLSA-N 2 2 317.383 3.379 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1F ZINC001308039479 1111369900 /nfs/dbraw/zinc/36/99/00/1111369900.db2.gz FHISQENYOGZURV-AWEZNQCLSA-N 2 2 317.383 3.379 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001308185061 1111392621 /nfs/dbraw/zinc/39/26/21/1111392621.db2.gz WAYUUAPTVZAGMZ-UHFFFAOYSA-N 2 2 312.461 3.288 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC001308194394 1111394767 /nfs/dbraw/zinc/39/47/67/1111394767.db2.gz CDUUNNLUROOUJH-OALUTQOASA-N 2 2 318.505 3.487 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC001308195743 1111395599 /nfs/dbraw/zinc/39/55/99/1111395599.db2.gz WKNIGAPSBWBPOZ-CABCVRRESA-N 2 2 317.433 3.247 20 0 DGADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001308219832 1111399992 /nfs/dbraw/zinc/39/99/92/1111399992.db2.gz RLERVQDUXMIVSC-HKUYNNGSSA-N 2 2 312.461 3.088 20 0 DGADLP Oc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1F ZINC001308282116 1111410111 /nfs/dbraw/zinc/41/01/11/1111410111.db2.gz DZRBSMYXWRJFKX-UHFFFAOYSA-N 2 2 303.362 3.068 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC001308327575 1111417060 /nfs/dbraw/zinc/41/70/60/1111417060.db2.gz MNPWPFLEIRZSTA-OGWHTMIXSA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC001308327575 1111417063 /nfs/dbraw/zinc/41/70/63/1111417063.db2.gz MNPWPFLEIRZSTA-OGWHTMIXSA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC001308327575 1111417065 /nfs/dbraw/zinc/41/70/65/1111417065.db2.gz MNPWPFLEIRZSTA-OGWHTMIXSA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC001308327575 1111417067 /nfs/dbraw/zinc/41/70/67/1111417067.db2.gz MNPWPFLEIRZSTA-OGWHTMIXSA-N 2 2 313.489 3.037 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1F ZINC001308984524 1111505279 /nfs/dbraw/zinc/50/52/79/1111505279.db2.gz JKBDTUBBITZYBN-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1F ZINC001308984524 1111505281 /nfs/dbraw/zinc/50/52/81/1111505281.db2.gz JKBDTUBBITZYBN-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1cccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1F ZINC001308984524 1111505282 /nfs/dbraw/zinc/50/52/82/1111505282.db2.gz JKBDTUBBITZYBN-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1cccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1F ZINC001308984524 1111505283 /nfs/dbraw/zinc/50/52/83/1111505283.db2.gz JKBDTUBBITZYBN-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP CCc1ccc2c(c1)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001308984952 1111505589 /nfs/dbraw/zinc/50/55/89/1111505589.db2.gz QZXCFGSPYRZHTH-UHFFFAOYSA-N 2 2 318.424 3.388 20 0 DGADLP CCc1ccc2c(c1)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC001308984952 1111505592 /nfs/dbraw/zinc/50/55/92/1111505592.db2.gz QZXCFGSPYRZHTH-UHFFFAOYSA-N 2 2 318.424 3.388 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CCSC1)c1cccc(OC)c1 ZINC000278282906 214065474 /nfs/dbraw/zinc/06/54/74/214065474.db2.gz BFBOSKGYFXWFEJ-MAUKXSAKSA-N 2 2 322.518 3.421 20 0 DGADLP CN(c1ccccc1C[N@@H+]1CCC=C(F)C1)C1CC[NH+](C)CC1 ZINC000272872203 210262410 /nfs/dbraw/zinc/26/24/10/210262410.db2.gz WMTGPGRBAJEDMJ-UHFFFAOYSA-N 2 2 317.452 3.276 20 0 DGADLP CN(c1ccccc1C[N@H+]1CCC=C(F)C1)C1CC[NH+](C)CC1 ZINC000272872203 210262412 /nfs/dbraw/zinc/26/24/12/210262412.db2.gz WMTGPGRBAJEDMJ-UHFFFAOYSA-N 2 2 317.452 3.276 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680985 432002570 /nfs/dbraw/zinc/00/25/70/432002570.db2.gz QONRIUMSGIMHOU-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680985 432002572 /nfs/dbraw/zinc/00/25/72/432002572.db2.gz QONRIUMSGIMHOU-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422797716 282122313 /nfs/dbraw/zinc/12/23/13/282122313.db2.gz ODXBREVSXHUIGJ-RBUKOAKNSA-N 2 2 316.489 3.101 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000129308664 432003432 /nfs/dbraw/zinc/00/34/32/432003432.db2.gz RSWQAUIFMWOSCS-UHFFFAOYSA-N 2 2 323.444 3.494 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000129308664 432003433 /nfs/dbraw/zinc/00/34/33/432003433.db2.gz RSWQAUIFMWOSCS-UHFFFAOYSA-N 2 2 323.444 3.494 20 0 DGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000305862131 231077555 /nfs/dbraw/zinc/07/75/55/231077555.db2.gz YKYIXBCTKNQIKZ-YOEHRIQHSA-N 2 2 304.434 3.032 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664454 231101119 /nfs/dbraw/zinc/10/11/19/231101119.db2.gz OIJAAWRCADYUJQ-RDJZCZTQSA-N 2 2 313.420 3.393 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664454 231101122 /nfs/dbraw/zinc/10/11/22/231101122.db2.gz OIJAAWRCADYUJQ-RDJZCZTQSA-N 2 2 313.420 3.393 20 0 DGADLP COC1(C[NH2+]CCn2c(C)[nH+]c3ccccc32)CCCCC1 ZINC000319464899 231183399 /nfs/dbraw/zinc/18/33/99/231183399.db2.gz VPUJJIXMZVYDQW-UHFFFAOYSA-N 2 2 301.434 3.284 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309573077 529430490 /nfs/dbraw/zinc/43/04/90/529430490.db2.gz COUQOAIPNWOGSE-IPMKNSEASA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309573077 529430492 /nfs/dbraw/zinc/43/04/92/529430492.db2.gz COUQOAIPNWOGSE-IPMKNSEASA-N 2 2 302.462 3.198 20 0 DGADLP CCc1cc(NCCCc2[nH+]c3ccccc3n2C)nc(C)[nH+]1 ZINC000302098635 529554776 /nfs/dbraw/zinc/55/47/76/529554776.db2.gz PAXMWPKFLVCCIG-UHFFFAOYSA-N 2 2 309.417 3.279 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270922530 282207674 /nfs/dbraw/zinc/20/76/74/282207674.db2.gz VMQGKYNYUGMIDD-GUYCJALGSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270922530 282207675 /nfs/dbraw/zinc/20/76/75/282207675.db2.gz VMQGKYNYUGMIDD-GUYCJALGSA-N 2 2 319.836 3.307 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000415065555 529616978 /nfs/dbraw/zinc/61/69/78/529616978.db2.gz NAPHYGXKTKMOSK-HNAYVOBHSA-N 2 2 314.477 3.247 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090117705 185282879 /nfs/dbraw/zinc/28/28/79/185282879.db2.gz GKWDSEDGGUHDEY-OWCLPIDISA-N 2 2 312.461 3.334 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090117705 185282880 /nfs/dbraw/zinc/28/28/80/185282880.db2.gz GKWDSEDGGUHDEY-OWCLPIDISA-N 2 2 312.461 3.334 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000247033252 282249123 /nfs/dbraw/zinc/24/91/23/282249123.db2.gz VPTIDSZZJWXJSL-TVFCKZIOSA-N 2 2 302.462 3.083 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)c(Br)c1 ZINC000181392673 199290290 /nfs/dbraw/zinc/29/02/90/199290290.db2.gz GKQDTJDJMSDNAO-LLVKDONJSA-N 2 2 315.255 3.060 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148621 529802287 /nfs/dbraw/zinc/80/22/87/529802287.db2.gz LPNOODGYNBZKOS-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148621 529802288 /nfs/dbraw/zinc/80/22/88/529802288.db2.gz LPNOODGYNBZKOS-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148621 529802290 /nfs/dbraw/zinc/80/22/90/529802290.db2.gz LPNOODGYNBZKOS-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148621 529802291 /nfs/dbraw/zinc/80/22/91/529802291.db2.gz LPNOODGYNBZKOS-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429702981 530000009 /nfs/dbraw/zinc/00/00/09/530000009.db2.gz PLCBXIXLWNPFAK-OAQYLSRUSA-N 2 2 324.468 3.410 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429702981 530000011 /nfs/dbraw/zinc/00/00/11/530000011.db2.gz PLCBXIXLWNPFAK-OAQYLSRUSA-N 2 2 324.468 3.410 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429702981 530000012 /nfs/dbraw/zinc/00/00/12/530000012.db2.gz PLCBXIXLWNPFAK-OAQYLSRUSA-N 2 2 324.468 3.410 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429702981 530000013 /nfs/dbraw/zinc/00/00/13/530000013.db2.gz PLCBXIXLWNPFAK-OAQYLSRUSA-N 2 2 324.468 3.410 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430929614 530005044 /nfs/dbraw/zinc/00/50/44/530005044.db2.gz PWBOSZMWGJFXFY-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430929614 530005045 /nfs/dbraw/zinc/00/50/45/530005045.db2.gz PWBOSZMWGJFXFY-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[N@H+](Cc1csc(-c2ccoc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442763520 530019045 /nfs/dbraw/zinc/01/90/45/530019045.db2.gz SECNRZMETHROQU-NNQSOWQGSA-N 2 2 303.431 3.118 20 0 DGADLP C[N@@H+](Cc1csc(-c2ccoc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442763520 530019046 /nfs/dbraw/zinc/01/90/46/530019046.db2.gz SECNRZMETHROQU-NNQSOWQGSA-N 2 2 303.431 3.118 20 0 DGADLP C[N@@H+](Cc1csc2ccccc12)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430592971 530019719 /nfs/dbraw/zinc/01/97/19/530019719.db2.gz RLGXADYWYDSEPU-UHFFFAOYSA-N 2 2 316.430 3.110 20 0 DGADLP C[N@H+](Cc1csc2ccccc12)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430592971 530019721 /nfs/dbraw/zinc/01/97/21/530019721.db2.gz RLGXADYWYDSEPU-UHFFFAOYSA-N 2 2 316.430 3.110 20 0 DGADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1cccc2ccccc21 ZINC000430595130 530021586 /nfs/dbraw/zinc/02/15/86/530021586.db2.gz LWYGAHDUSUOMGQ-UHFFFAOYSA-N 2 2 310.401 3.049 20 0 DGADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1cccc2ccccc21 ZINC000430595130 530021588 /nfs/dbraw/zinc/02/15/88/530021588.db2.gz LWYGAHDUSUOMGQ-UHFFFAOYSA-N 2 2 310.401 3.049 20 0 DGADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c2c(Br)cccc12 ZINC000428123339 530026545 /nfs/dbraw/zinc/02/65/45/530026545.db2.gz WURDWXIBXVTYLC-UHFFFAOYSA-N 2 2 317.190 3.357 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724355 530059112 /nfs/dbraw/zinc/05/91/12/530059112.db2.gz YNVORBVOQIUNAR-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724355 530059113 /nfs/dbraw/zinc/05/91/13/530059113.db2.gz YNVORBVOQIUNAR-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724355 530059114 /nfs/dbraw/zinc/05/91/14/530059114.db2.gz YNVORBVOQIUNAR-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724355 530059115 /nfs/dbraw/zinc/05/91/15/530059115.db2.gz YNVORBVOQIUNAR-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000123776699 185841202 /nfs/dbraw/zinc/84/12/02/185841202.db2.gz RBBHXOCBFHOWNP-INIZCTEOSA-N 2 2 315.486 3.467 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000123776699 185841204 /nfs/dbraw/zinc/84/12/04/185841204.db2.gz RBBHXOCBFHOWNP-INIZCTEOSA-N 2 2 315.486 3.467 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(-c2cccs2)on1 ZINC000130381677 432022581 /nfs/dbraw/zinc/02/25/81/432022581.db2.gz NSFRITPDAMHQQF-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(-c2cccs2)on1 ZINC000130381677 432022583 /nfs/dbraw/zinc/02/25/83/432022583.db2.gz NSFRITPDAMHQQF-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2cccs2)o1 ZINC000130380241 432022568 /nfs/dbraw/zinc/02/25/68/432022568.db2.gz KBIALQARRKKIGV-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2cccs2)o1 ZINC000130380241 432022570 /nfs/dbraw/zinc/02/25/70/432022570.db2.gz KBIALQARRKKIGV-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287052242 219288189 /nfs/dbraw/zinc/28/81/89/219288189.db2.gz SUHFGIKTIRNHSN-HNNXBMFYSA-N 2 2 314.832 3.241 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000287110848 219321663 /nfs/dbraw/zinc/32/16/63/219321663.db2.gz NVOFZXZLVLNZSS-UHFFFAOYSA-N 2 2 304.438 3.120 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836635 186261322 /nfs/dbraw/zinc/26/13/22/186261322.db2.gz LFHRBJYNJYLGLJ-WMZOPIPTSA-N 2 2 314.429 3.221 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836635 186261324 /nfs/dbraw/zinc/26/13/24/186261324.db2.gz LFHRBJYNJYLGLJ-WMZOPIPTSA-N 2 2 314.429 3.221 20 0 DGADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838284 186262042 /nfs/dbraw/zinc/26/20/42/186262042.db2.gz WOGDPYOWUNABNR-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838284 186262043 /nfs/dbraw/zinc/26/20/43/186262043.db2.gz WOGDPYOWUNABNR-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)Cn1cc[nH+]c1 ZINC000172116616 198041762 /nfs/dbraw/zinc/04/17/62/198041762.db2.gz FHVALEJNXLGPJY-LLVKDONJSA-N 2 2 315.314 3.467 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965962 191258952 /nfs/dbraw/zinc/25/89/52/191258952.db2.gz KNEQWARSTZZKLW-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965962 191258955 /nfs/dbraw/zinc/25/89/55/191258955.db2.gz KNEQWARSTZZKLW-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965962 191258957 /nfs/dbraw/zinc/25/89/57/191258957.db2.gz KNEQWARSTZZKLW-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965962 191258960 /nfs/dbraw/zinc/25/89/60/191258960.db2.gz KNEQWARSTZZKLW-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP C[C@H](C[NH2+]Cc1csc(Br)c1)Cn1cc[nH+]c1 ZINC000067500531 432032086 /nfs/dbraw/zinc/03/20/86/432032086.db2.gz VJUJACJJDIUADP-SNVBAGLBSA-N 2 2 314.252 3.133 20 0 DGADLP C[C@H](C[NH2+]Cc1ccccc1Br)Cn1cc[nH+]c1 ZINC000067500556 432032296 /nfs/dbraw/zinc/03/22/96/432032296.db2.gz JLELZZVIRZUIEL-GFCCVEGCSA-N 2 2 308.223 3.072 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Br)[C@H](C)C1 ZINC000174629315 198361630 /nfs/dbraw/zinc/36/16/30/198361630.db2.gz VSOHQRBKFMHOQL-DOMZBBRYSA-N 2 2 311.267 3.269 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Br)[C@H](C)C1 ZINC000174629315 198361631 /nfs/dbraw/zinc/36/16/31/198361631.db2.gz VSOHQRBKFMHOQL-DOMZBBRYSA-N 2 2 311.267 3.269 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(F)c1 ZINC000163790841 432043620 /nfs/dbraw/zinc/04/36/20/432043620.db2.gz FOYYKRNVMRBWEH-CYBMUJFWSA-N 2 2 303.381 3.382 20 0 DGADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)C ZINC000272295805 209684540 /nfs/dbraw/zinc/68/45/40/209684540.db2.gz QMDVKXOVFVKKEQ-KRWDZBQOSA-N 2 2 304.482 3.459 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000132308283 432047974 /nfs/dbraw/zinc/04/79/74/432047974.db2.gz XWEWNSPZZRZPSM-UHOSZYNNSA-N 3 2 309.542 3.207 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000132308283 432047977 /nfs/dbraw/zinc/04/79/77/432047977.db2.gz XWEWNSPZZRZPSM-UHOSZYNNSA-N 3 2 309.542 3.207 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000165633104 432056392 /nfs/dbraw/zinc/05/63/92/432056392.db2.gz QFTKLSRYUGUTAQ-OAHLLOKOSA-N 3 2 323.444 3.427 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395222 432060621 /nfs/dbraw/zinc/06/06/21/432060621.db2.gz CFBWWXBNBSJCTC-ONCXSQPRSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395222 432060623 /nfs/dbraw/zinc/06/06/23/432060623.db2.gz CFBWWXBNBSJCTC-ONCXSQPRSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000166395222 432060624 /nfs/dbraw/zinc/06/06/24/432060624.db2.gz CFBWWXBNBSJCTC-ONCXSQPRSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000166395222 432060626 /nfs/dbraw/zinc/06/06/26/432060626.db2.gz CFBWWXBNBSJCTC-ONCXSQPRSA-N 3 2 315.505 3.112 20 0 DGADLP Clc1ccccc1O[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000133356991 432061906 /nfs/dbraw/zinc/06/19/06/432061906.db2.gz BKJBIPDXFYVUOG-AWEZNQCLSA-N 2 2 305.809 3.080 20 0 DGADLP Clc1ccccc1O[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000133356991 432061909 /nfs/dbraw/zinc/06/19/09/432061909.db2.gz BKJBIPDXFYVUOG-AWEZNQCLSA-N 2 2 305.809 3.080 20 0 DGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000166900481 432062775 /nfs/dbraw/zinc/06/27/75/432062775.db2.gz LHDFXOGVQDSQOK-BMIGLBTASA-N 2 2 300.406 3.142 20 0 DGADLP COc1ccc(C[C@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000179638111 432065212 /nfs/dbraw/zinc/06/52/12/432065212.db2.gz GNOUPVQSAKNYAV-INIZCTEOSA-N 2 2 301.434 3.092 20 0 DGADLP COc1ccc(C[C@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000179638111 432065213 /nfs/dbraw/zinc/06/52/13/432065213.db2.gz GNOUPVQSAKNYAV-INIZCTEOSA-N 2 2 301.434 3.092 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000179635748 432065458 /nfs/dbraw/zinc/06/54/58/432065458.db2.gz YVJOANRTMCFZLX-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(Br)c1 ZINC000179635748 432065460 /nfs/dbraw/zinc/06/54/60/432065460.db2.gz YVJOANRTMCFZLX-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000168616644 432069547 /nfs/dbraw/zinc/06/95/47/432069547.db2.gz NSKVACBSIPUUNE-HIFRSBDPSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000168616644 432069549 /nfs/dbraw/zinc/06/95/49/432069549.db2.gz NSKVACBSIPUUNE-HIFRSBDPSA-N 2 2 301.459 3.288 20 0 DGADLP CCN(CC)[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000179421459 199032584 /nfs/dbraw/zinc/03/25/84/199032584.db2.gz ROBUKXNKGCTTRG-INIZCTEOSA-N 2 2 312.417 3.100 20 0 DGADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000179666180 199072029 /nfs/dbraw/zinc/07/20/29/199072029.db2.gz DINLMTZNBXYOBM-SFHVURJKSA-N 2 2 315.417 3.031 20 0 DGADLP COCC[C@@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000179782005 199080343 /nfs/dbraw/zinc/08/03/43/199080343.db2.gz UNLVOXPHPCYUNW-CQSZACIVSA-N 2 2 323.456 3.193 20 0 DGADLP CC(C)N(C)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000276700139 213054430 /nfs/dbraw/zinc/05/44/30/213054430.db2.gz AWRZRGSIYJSDMQ-UHFFFAOYSA-N 2 2 313.449 3.029 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180992154 199237789 /nfs/dbraw/zinc/23/77/89/199237789.db2.gz IVURHDQTDYNWAM-KFWWJZLASA-N 2 2 300.450 3.190 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180992154 199237791 /nfs/dbraw/zinc/23/77/91/199237791.db2.gz IVURHDQTDYNWAM-KFWWJZLASA-N 2 2 300.450 3.190 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261939172 291163024 /nfs/dbraw/zinc/16/30/24/291163024.db2.gz MKVQWJPPQWQCQJ-STQMWFEESA-N 2 2 323.278 3.195 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261939172 291163027 /nfs/dbraw/zinc/16/30/27/291163027.db2.gz MKVQWJPPQWQCQJ-STQMWFEESA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)sc2C1 ZINC000415054365 237038377 /nfs/dbraw/zinc/03/83/77/237038377.db2.gz PTEZGFGIAROURO-YCPHGPKFSA-N 2 2 319.518 3.232 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)sc2C1 ZINC000415054365 237038383 /nfs/dbraw/zinc/03/83/83/237038383.db2.gz PTEZGFGIAROURO-YCPHGPKFSA-N 2 2 319.518 3.232 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1csc(Br)c1)C1CCCC1 ZINC000415043066 237030333 /nfs/dbraw/zinc/03/03/33/237030333.db2.gz ABOUXHUCRHDQEC-NSHDSACASA-N 2 2 303.269 3.118 20 0 DGADLP Cc1[nH+]cc(CN2C[C@@H]([NH3+])Cc3ccccc32)n1-c1ccccc1 ZINC000415137918 237108593 /nfs/dbraw/zinc/10/85/93/237108593.db2.gz OCRZWEYPEOAZRA-KRWDZBQOSA-N 2 2 318.424 3.071 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000187787698 200156926 /nfs/dbraw/zinc/15/69/26/200156926.db2.gz RYGLHZGRCSBTBD-KRWDZBQOSA-N 2 2 324.472 3.409 20 0 DGADLP C[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCC1 ZINC000187971885 200184715 /nfs/dbraw/zinc/18/47/15/200184715.db2.gz FMZSCQREOSJQPA-QGZVFWFLSA-N 2 2 316.424 3.102 20 0 DGADLP C[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCC1 ZINC000187971885 200184716 /nfs/dbraw/zinc/18/47/16/200184716.db2.gz FMZSCQREOSJQPA-QGZVFWFLSA-N 2 2 316.424 3.102 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000188112095 200196239 /nfs/dbraw/zinc/19/62/39/200196239.db2.gz CJHNIZKPHXPWEJ-ULQDDVLXSA-N 2 2 316.424 3.101 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237565571 202286477 /nfs/dbraw/zinc/28/64/77/202286477.db2.gz ZJVHAXLXCSDKCA-HIFRSBDPSA-N 2 2 312.417 3.041 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422766190 237795471 /nfs/dbraw/zinc/79/54/71/237795471.db2.gz QXOKLEQGDMLTGP-UONOGXRCSA-N 2 2 315.230 3.338 20 0 DGADLP O[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000189311421 200380263 /nfs/dbraw/zinc/38/02/63/200380263.db2.gz QZFAVYXFWKDKDR-MAUKXSAKSA-N 2 2 322.880 3.055 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423494401 237853980 /nfs/dbraw/zinc/85/39/80/237853980.db2.gz RZAQSXRYXTVOCY-UXHICEINSA-N 2 2 310.441 3.053 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000429239999 238044581 /nfs/dbraw/zinc/04/45/81/238044581.db2.gz SICCZLLYXJXBFR-SJLPKXTDSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000429239999 238044582 /nfs/dbraw/zinc/04/45/82/238044582.db2.gz SICCZLLYXJXBFR-SJLPKXTDSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000429239999 238044584 /nfs/dbraw/zinc/04/45/84/238044584.db2.gz SICCZLLYXJXBFR-SJLPKXTDSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000429239999 238044585 /nfs/dbraw/zinc/04/45/85/238044585.db2.gz SICCZLLYXJXBFR-SJLPKXTDSA-N 2 2 319.468 3.211 20 0 DGADLP Fc1ccc2nc(C[NH2+]C3CC[NH+](C4CC4)CC3)sc2c1 ZINC000428856499 238032626 /nfs/dbraw/zinc/03/26/26/238032626.db2.gz NFHJVUAPDBFYGO-UHFFFAOYSA-N 2 2 305.422 3.152 20 0 DGADLP COC1(C[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000429512759 238053088 /nfs/dbraw/zinc/05/30/88/238053088.db2.gz BUEUFIWQCNVABP-INIZCTEOSA-N 2 2 313.445 3.369 20 0 DGADLP C[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711661 238058185 /nfs/dbraw/zinc/05/81/85/238058185.db2.gz QMLMNVZZRHASDN-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711661 238058186 /nfs/dbraw/zinc/05/81/86/238058186.db2.gz QMLMNVZZRHASDN-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711661 238058187 /nfs/dbraw/zinc/05/81/87/238058187.db2.gz QMLMNVZZRHASDN-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711661 238058189 /nfs/dbraw/zinc/05/81/89/238058189.db2.gz QMLMNVZZRHASDN-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431084140 238093690 /nfs/dbraw/zinc/09/36/90/238093690.db2.gz NTQBAZFODIHHCD-ZDUSSCGKSA-N 2 2 302.422 3.073 20 0 DGADLP Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000431084140 238093691 /nfs/dbraw/zinc/09/36/91/238093691.db2.gz NTQBAZFODIHHCD-ZDUSSCGKSA-N 2 2 302.422 3.073 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430587458 238080837 /nfs/dbraw/zinc/08/08/37/238080837.db2.gz WARKZCDVETYZRV-CQSZACIVSA-N 2 2 306.429 3.001 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430587458 238080838 /nfs/dbraw/zinc/08/08/38/238080838.db2.gz WARKZCDVETYZRV-CQSZACIVSA-N 2 2 306.429 3.001 20 0 DGADLP Cc1cc(-c2noc([C@H](C)[N@H+](C)CC(C)(C)C[NH3+])n2)ccc1F ZINC000430596817 238081240 /nfs/dbraw/zinc/08/12/40/238081240.db2.gz POPSECZRMQITIM-LBPRGKRZSA-N 2 2 320.412 3.162 20 0 DGADLP Cc1cc(-c2noc([C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])n2)ccc1F ZINC000430596817 238081241 /nfs/dbraw/zinc/08/12/41/238081241.db2.gz POPSECZRMQITIM-LBPRGKRZSA-N 2 2 320.412 3.162 20 0 DGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430601533 238081365 /nfs/dbraw/zinc/08/13/65/238081365.db2.gz ZVUFWLDINVMGPN-CJNGLKHVSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430601533 238081366 /nfs/dbraw/zinc/08/13/66/238081366.db2.gz ZVUFWLDINVMGPN-CJNGLKHVSA-N 2 2 323.506 3.041 20 0 DGADLP [NH3+]C[C@H]1CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000430934116 238090211 /nfs/dbraw/zinc/09/02/11/238090211.db2.gz NQMVIWIUFQLIDC-CYBMUJFWSA-N 2 2 321.877 3.168 20 0 DGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000430934116 238090212 /nfs/dbraw/zinc/09/02/12/238090212.db2.gz NQMVIWIUFQLIDC-CYBMUJFWSA-N 2 2 321.877 3.168 20 0 DGADLP Clc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134947098 432090857 /nfs/dbraw/zinc/09/08/57/432090857.db2.gz VXWYAGXRWJHHPA-CZUORRHYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134947098 432090863 /nfs/dbraw/zinc/09/08/63/432090863.db2.gz VXWYAGXRWJHHPA-CZUORRHYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134947098 432090866 /nfs/dbraw/zinc/09/08/66/432090866.db2.gz VXWYAGXRWJHHPA-CZUORRHYSA-N 2 2 305.853 3.184 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960585 209341452 /nfs/dbraw/zinc/34/14/52/209341452.db2.gz LLNRIKMREVYHQT-UZLBHIALSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960585 209341449 /nfs/dbraw/zinc/34/14/49/209341449.db2.gz LLNRIKMREVYHQT-UZLBHIALSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340470942 299316727 /nfs/dbraw/zinc/31/67/27/299316727.db2.gz SIMZRQUWIYIXLA-UHOSZYNNSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@H](NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753766 299316805 /nfs/dbraw/zinc/31/68/05/299316805.db2.gz GJJHRGPCPOIECN-RRQGHBQHSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753766 299316807 /nfs/dbraw/zinc/31/68/07/299316807.db2.gz GJJHRGPCPOIECN-RRQGHBQHSA-N 2 2 309.885 3.063 20 0 DGADLP c1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435370179 238295986 /nfs/dbraw/zinc/29/59/86/238295986.db2.gz HOHSNDZMTSUOAD-KRWDZBQOSA-N 2 2 301.459 3.287 20 0 DGADLP c1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435370179 238295991 /nfs/dbraw/zinc/29/59/91/238295991.db2.gz HOHSNDZMTSUOAD-KRWDZBQOSA-N 2 2 301.459 3.287 20 0 DGADLP c1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435370180 238296515 /nfs/dbraw/zinc/29/65/15/238296515.db2.gz HOHSNDZMTSUOAD-QGZVFWFLSA-N 2 2 301.459 3.287 20 0 DGADLP c1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435370180 238296517 /nfs/dbraw/zinc/29/65/17/238296517.db2.gz HOHSNDZMTSUOAD-QGZVFWFLSA-N 2 2 301.459 3.287 20 0 DGADLP Clc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000435230996 238284133 /nfs/dbraw/zinc/28/41/33/238284133.db2.gz SMEWEAOWQISFKZ-AWEZNQCLSA-N 2 2 301.821 3.215 20 0 DGADLP Clc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000435230996 238284137 /nfs/dbraw/zinc/28/41/37/238284137.db2.gz SMEWEAOWQISFKZ-AWEZNQCLSA-N 2 2 301.821 3.215 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435621296 238328807 /nfs/dbraw/zinc/32/88/07/238328807.db2.gz KKHYTAVBCFLNDL-AWEZNQCLSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435621296 238328812 /nfs/dbraw/zinc/32/88/12/238328812.db2.gz KKHYTAVBCFLNDL-AWEZNQCLSA-N 2 2 305.447 3.285 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000180698447 432096305 /nfs/dbraw/zinc/09/63/05/432096305.db2.gz RWLLCGMTNLWUCU-VXNCWWDNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000180698447 432096301 /nfs/dbraw/zinc/09/63/01/432096301.db2.gz RWLLCGMTNLWUCU-VXNCWWDNSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@@](C)(O)c3ccccc3)n2c1 ZINC000189844697 432096523 /nfs/dbraw/zinc/09/65/23/432096523.db2.gz KZSJUTBOTLGPRK-LJQANCHMSA-N 2 2 309.413 3.030 20 0 DGADLP C[C@@H](C[NH2+]Cc1csc(Br)c1)Cn1cc[nH+]c1 ZINC000062254375 283665703 /nfs/dbraw/zinc/66/57/03/283665703.db2.gz VJUJACJJDIUADP-JTQLQIEISA-N 2 2 314.252 3.133 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193932023 201147875 /nfs/dbraw/zinc/14/78/75/201147875.db2.gz AWSXZDVUMCLTJH-PXNSSMCTSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193932023 201147878 /nfs/dbraw/zinc/14/78/78/201147878.db2.gz AWSXZDVUMCLTJH-PXNSSMCTSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193932023 201147882 /nfs/dbraw/zinc/14/78/82/201147882.db2.gz AWSXZDVUMCLTJH-PXNSSMCTSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193932023 201147884 /nfs/dbraw/zinc/14/78/84/201147884.db2.gz AWSXZDVUMCLTJH-PXNSSMCTSA-N 2 2 324.472 3.469 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193950582 201151173 /nfs/dbraw/zinc/15/11/73/201151173.db2.gz MPVZYBCXVHBGAW-QGZVFWFLSA-N 2 2 310.869 3.492 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000193953976 201153321 /nfs/dbraw/zinc/15/33/21/201153321.db2.gz UPIONBFFWDHKEX-QGZVFWFLSA-N 2 2 308.853 3.244 20 0 DGADLP CN(c1ccc([NH2+]C[C@H]2CCC=CO2)cc1)C1CC[NH+](C)CC1 ZINC000194101057 201178798 /nfs/dbraw/zinc/17/87/98/201178798.db2.gz UXQZKUFPKAHSFO-LJQANCHMSA-N 2 2 315.461 3.322 20 0 DGADLP CCOc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000441075938 239006696 /nfs/dbraw/zinc/00/66/96/239006696.db2.gz CHTWRNZUKYVILL-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000441075938 239006701 /nfs/dbraw/zinc/00/67/01/239006701.db2.gz CHTWRNZUKYVILL-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000441075938 239006706 /nfs/dbraw/zinc/00/67/06/239006706.db2.gz CHTWRNZUKYVILL-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000441075938 239006708 /nfs/dbraw/zinc/00/67/08/239006708.db2.gz CHTWRNZUKYVILL-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441360435 239040477 /nfs/dbraw/zinc/04/04/77/239040477.db2.gz SRRRHEVVQZTZIU-SJLPKXTDSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441360435 239040485 /nfs/dbraw/zinc/04/04/85/239040485.db2.gz SRRRHEVVQZTZIU-SJLPKXTDSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441360435 239040488 /nfs/dbraw/zinc/04/04/88/239040488.db2.gz SRRRHEVVQZTZIU-SJLPKXTDSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441360435 239040494 /nfs/dbraw/zinc/04/04/94/239040494.db2.gz SRRRHEVVQZTZIU-SJLPKXTDSA-N 2 2 317.477 3.128 20 0 DGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000180751791 432098821 /nfs/dbraw/zinc/09/88/21/432098821.db2.gz DEZOWZXMSHSXOB-IEBWSBKVSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000180751791 432098826 /nfs/dbraw/zinc/09/88/26/432098826.db2.gz DEZOWZXMSHSXOB-IEBWSBKVSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000180751791 432098831 /nfs/dbraw/zinc/09/88/31/432098831.db2.gz DEZOWZXMSHSXOB-IEBWSBKVSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000180751791 432098833 /nfs/dbraw/zinc/09/88/33/432098833.db2.gz DEZOWZXMSHSXOB-IEBWSBKVSA-N 2 2 324.472 3.003 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759138 239120097 /nfs/dbraw/zinc/12/00/97/239120097.db2.gz KISMGJLJGZBIAT-GRYCIOLGSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759138 239120101 /nfs/dbraw/zinc/12/01/01/239120101.db2.gz KISMGJLJGZBIAT-GRYCIOLGSA-N 2 2 308.376 3.162 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443987796 239246392 /nfs/dbraw/zinc/24/63/92/239246392.db2.gz KKBGRNGZIWXONL-UWVGGRQHSA-N 2 2 307.385 3.124 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc(OC)c1 ZINC000449069122 240001005 /nfs/dbraw/zinc/00/10/05/240001005.db2.gz WDIKXWHAPVMGJB-OHDICMOHSA-N 2 2 320.477 3.234 20 0 DGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000449098196 240016777 /nfs/dbraw/zinc/01/67/77/240016777.db2.gz OUVAWJGQOVTYKG-OAHLLOKOSA-N 2 2 314.433 3.050 20 0 DGADLP c1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(C2CCCC2)n1 ZINC000449100725 240017910 /nfs/dbraw/zinc/01/79/10/240017910.db2.gz XGEFQOXXYQEFIX-UHFFFAOYSA-N 2 2 321.428 3.474 20 0 DGADLP CC(C)COc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000449101677 240018646 /nfs/dbraw/zinc/01/86/46/240018646.db2.gz GIUCDWAVDRMZHT-INIZCTEOSA-N 2 2 301.434 3.344 20 0 DGADLP COc1cc(F)cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000449104716 240019467 /nfs/dbraw/zinc/01/94/67/240019467.db2.gz WVMNDJNRHCKNLB-UHFFFAOYSA-N 2 2 313.376 3.433 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000135182678 432104107 /nfs/dbraw/zinc/10/41/07/432104107.db2.gz JYJXFUBFAYIVPZ-UHFFFAOYSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000449091068 240012994 /nfs/dbraw/zinc/01/29/94/240012994.db2.gz PCBYOCPTKILBLV-MRXNPFEDSA-N 2 2 304.478 3.433 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000449090751 240013080 /nfs/dbraw/zinc/01/30/80/240013080.db2.gz NVMAZYYJIGENSC-LJQANCHMSA-N 2 2 302.462 3.187 20 0 DGADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449253772 240092444 /nfs/dbraw/zinc/09/24/44/240092444.db2.gz ZYOIRPAOLZRDHS-GOSISDBHSA-N 2 2 322.880 3.180 20 0 DGADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449253772 240092448 /nfs/dbraw/zinc/09/24/48/240092448.db2.gz ZYOIRPAOLZRDHS-GOSISDBHSA-N 2 2 322.880 3.180 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000449255659 240094453 /nfs/dbraw/zinc/09/44/53/240094453.db2.gz FWQLWJOASBIGST-PDWMJMLSSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000449255659 240094461 /nfs/dbraw/zinc/09/44/61/240094461.db2.gz FWQLWJOASBIGST-PDWMJMLSSA-N 2 2 302.462 3.053 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000449350922 240149940 /nfs/dbraw/zinc/14/99/40/240149940.db2.gz MBLKCEPFACTYNP-ZDUSSCGKSA-N 2 2 305.809 3.042 20 0 DGADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449393393 240171796 /nfs/dbraw/zinc/17/17/96/240171796.db2.gz BURMVZMRJBPOKP-GPANFISMSA-N 2 2 322.880 3.022 20 0 DGADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449393393 240171802 /nfs/dbraw/zinc/17/18/02/240171802.db2.gz BURMVZMRJBPOKP-GPANFISMSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@@H](C)c1ccc(Cl)cc1 ZINC000449390240 240172135 /nfs/dbraw/zinc/17/21/35/240172135.db2.gz VLTQFHWJJKAAMM-VKJFTORMSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@@H](C)c1ccc(Cl)cc1 ZINC000449390240 240172138 /nfs/dbraw/zinc/17/21/38/240172138.db2.gz VLTQFHWJJKAAMM-VKJFTORMSA-N 2 2 324.896 3.268 20 0 DGADLP CC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449405940 240181543 /nfs/dbraw/zinc/18/15/43/240181543.db2.gz PUCPDSWXBRUWKF-IRXDYDNUSA-N 2 2 324.509 3.210 20 0 DGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)Cc1cccc2ccoc21 ZINC000449320990 240130196 /nfs/dbraw/zinc/13/01/96/240130196.db2.gz QMCHXXKKJZLCBN-UHFFFAOYSA-N 3 2 317.477 3.138 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H](C)[NH2+]CCC)cc2[nH+]1 ZINC000449323860 240132652 /nfs/dbraw/zinc/13/26/52/240132652.db2.gz BFQDVAXFGUTGBT-GFCCVEGCSA-N 2 2 302.422 3.232 20 0 DGADLP Cc1ncsc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449466107 240222231 /nfs/dbraw/zinc/22/22/31/240222231.db2.gz DKFLLTRVKLNBRP-UHFFFAOYSA-N 2 2 321.412 3.000 20 0 DGADLP Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449489168 240240094 /nfs/dbraw/zinc/24/00/94/240240094.db2.gz OTMASTJOKLMQOP-XLIONFOSSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449489168 240240097 /nfs/dbraw/zinc/24/00/97/240240097.db2.gz OTMASTJOKLMQOP-XLIONFOSSA-N 2 2 323.484 3.433 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449519075 240264584 /nfs/dbraw/zinc/26/45/84/240264584.db2.gz CDTYWFPKIGLDSO-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449519075 240264587 /nfs/dbraw/zinc/26/45/87/240264587.db2.gz CDTYWFPKIGLDSO-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000449527110 240265795 /nfs/dbraw/zinc/26/57/95/240265795.db2.gz ZNLJBYGUNJVIKK-HNNXBMFYSA-N 2 2 317.477 3.244 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c[nH+]1 ZINC000449543102 240276715 /nfs/dbraw/zinc/27/67/15/240276715.db2.gz RZNVZBPPKOJEGW-RTBURBONSA-N 2 2 311.429 3.228 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246198495 432105371 /nfs/dbraw/zinc/10/53/71/432105371.db2.gz LRAMPBUSPXCRDW-PKOBYXMFSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246198495 432105374 /nfs/dbraw/zinc/10/53/74/432105374.db2.gz LRAMPBUSPXCRDW-PKOBYXMFSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246198495 432105377 /nfs/dbraw/zinc/10/53/77/432105377.db2.gz LRAMPBUSPXCRDW-PKOBYXMFSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246198495 432105378 /nfs/dbraw/zinc/10/53/78/432105378.db2.gz LRAMPBUSPXCRDW-PKOBYXMFSA-N 2 2 303.494 3.450 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000449560839 240291107 /nfs/dbraw/zinc/29/11/07/240291107.db2.gz QBKGJNACRDNEIG-PANBIXPWSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560839 240291109 /nfs/dbraw/zinc/29/11/09/240291109.db2.gz QBKGJNACRDNEIG-PANBIXPWSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449686649 240369888 /nfs/dbraw/zinc/36/98/88/240369888.db2.gz XQKQWEALGIJZGX-ZHALLVOQSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449686649 240369891 /nfs/dbraw/zinc/36/98/91/240369891.db2.gz XQKQWEALGIJZGX-ZHALLVOQSA-N 2 2 302.462 3.228 20 0 DGADLP c1cn2c(cccc2C[NH2+]C2(Cc3ccccc3)CCOCC2)[nH+]1 ZINC000449717065 240380627 /nfs/dbraw/zinc/38/06/27/240380627.db2.gz MLJBMPSVCVTATE-UHFFFAOYSA-N 2 2 321.424 3.216 20 0 DGADLP COCC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCCC1 ZINC000449742571 240394824 /nfs/dbraw/zinc/39/48/24/240394824.db2.gz PINXRLWDJGQBJG-UHFFFAOYSA-N 2 2 313.445 3.477 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000091261520 193027651 /nfs/dbraw/zinc/02/76/51/193027651.db2.gz WSCIKJGLGXNJHY-LBPRGKRZSA-N 2 2 322.884 3.465 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)C[NH+]1CCCC1 ZINC000171141694 432106635 /nfs/dbraw/zinc/10/66/35/432106635.db2.gz OIUMHWCSIKTJLL-PXNSSMCTSA-N 2 2 309.457 3.493 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCCC3(C)C)c2cc1C ZINC000180936430 432106932 /nfs/dbraw/zinc/10/69/32/432106932.db2.gz IANOUUBOGAXWKA-MAUKXSAKSA-N 2 2 315.461 3.182 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675913 193088873 /nfs/dbraw/zinc/08/88/73/193088873.db2.gz XBLYPDOBEUHNAO-ZDUSSCGKSA-N 2 2 314.832 3.132 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675913 193088874 /nfs/dbraw/zinc/08/88/74/193088874.db2.gz XBLYPDOBEUHNAO-ZDUSSCGKSA-N 2 2 314.832 3.132 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675913 193088876 /nfs/dbraw/zinc/08/88/76/193088876.db2.gz XBLYPDOBEUHNAO-ZDUSSCGKSA-N 2 2 314.832 3.132 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675913 193088877 /nfs/dbraw/zinc/08/88/77/193088877.db2.gz XBLYPDOBEUHNAO-ZDUSSCGKSA-N 2 2 314.832 3.132 20 0 DGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066144 193150192 /nfs/dbraw/zinc/15/01/92/193150192.db2.gz FYTMBWBNOHMKQR-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066144 193150194 /nfs/dbraw/zinc/15/01/94/193150194.db2.gz FYTMBWBNOHMKQR-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066144 193150196 /nfs/dbraw/zinc/15/01/96/193150196.db2.gz FYTMBWBNOHMKQR-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066144 193150197 /nfs/dbraw/zinc/15/01/97/193150197.db2.gz FYTMBWBNOHMKQR-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1Cc2[nH+]cn(Cc3ccc(-n4cc[nH+]c4)cc3)c2C[C@@H]1C ZINC000451347657 241091537 /nfs/dbraw/zinc/09/15/37/241091537.db2.gz WHHVFVKHTHXNEW-CABCVRRESA-N 2 2 306.413 3.488 20 0 DGADLP C[N@H+](C[C@H]1CCC(C)(C)O1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124565 241323252 /nfs/dbraw/zinc/32/32/52/241323252.db2.gz XOTMPVKICROWDE-CQSZACIVSA-N 2 2 322.415 3.293 20 0 DGADLP C[N@@H+](C[C@H]1CCC(C)(C)O1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124565 241323255 /nfs/dbraw/zinc/32/32/55/241323255.db2.gz XOTMPVKICROWDE-CQSZACIVSA-N 2 2 322.415 3.293 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)[nH+]1 ZINC000455485695 242213369 /nfs/dbraw/zinc/21/33/69/242213369.db2.gz KDVSFGSAWJILCY-MRXNPFEDSA-N 2 2 318.465 3.345 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)[nH+]1 ZINC000455485695 242213373 /nfs/dbraw/zinc/21/33/73/242213373.db2.gz KDVSFGSAWJILCY-MRXNPFEDSA-N 2 2 318.465 3.345 20 0 DGADLP Cc1cc(C)c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(C)[nH+]1 ZINC000455522172 242224197 /nfs/dbraw/zinc/22/41/97/242224197.db2.gz NEWZCCPYSBNZHK-ZBFHGGJFSA-N 2 2 316.449 3.097 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Br)[C@@H](C)C1 ZINC000246283311 432115002 /nfs/dbraw/zinc/11/50/02/432115002.db2.gz VSOHQRBKFMHOQL-SWLSCSKDSA-N 2 2 311.267 3.269 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Br)[C@@H](C)C1 ZINC000246283311 432115006 /nfs/dbraw/zinc/11/50/06/432115006.db2.gz VSOHQRBKFMHOQL-SWLSCSKDSA-N 2 2 311.267 3.269 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340207032 296116572 /nfs/dbraw/zinc/11/65/72/296116572.db2.gz SKKDEISPQTWYDT-OXQOHEQNSA-N 2 2 316.489 3.371 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340207032 296116575 /nfs/dbraw/zinc/11/65/75/296116575.db2.gz SKKDEISPQTWYDT-OXQOHEQNSA-N 2 2 316.489 3.371 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)sc2C1 ZINC000092253658 193180487 /nfs/dbraw/zinc/18/04/87/193180487.db2.gz AGDSXJRPNYNVSY-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000092253658 193180489 /nfs/dbraw/zinc/18/04/89/193180489.db2.gz AGDSXJRPNYNVSY-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC(C)C ZINC000092253788 193180539 /nfs/dbraw/zinc/18/05/39/193180539.db2.gz OVGBGPMKWCXCBY-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC(C)C ZINC000092253788 193180540 /nfs/dbraw/zinc/18/05/40/193180540.db2.gz OVGBGPMKWCXCBY-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1OC(C)C ZINC000092253788 193180542 /nfs/dbraw/zinc/18/05/42/193180542.db2.gz OVGBGPMKWCXCBY-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1OC(C)C ZINC000092253788 193180543 /nfs/dbraw/zinc/18/05/43/193180543.db2.gz OVGBGPMKWCXCBY-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2C1 ZINC000092253658 193180483 /nfs/dbraw/zinc/18/04/83/193180483.db2.gz AGDSXJRPNYNVSY-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2C1 ZINC000092253658 193180485 /nfs/dbraw/zinc/18/04/85/193180485.db2.gz AGDSXJRPNYNVSY-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000459499954 243392961 /nfs/dbraw/zinc/39/29/61/243392961.db2.gz BBMDGHAOMMXCGB-UHFFFAOYSA-N 2 2 319.399 3.196 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]C2CC(C)(c3ccccc3)C2)CCSC1 ZINC000459433714 243368883 /nfs/dbraw/zinc/36/88/83/243368883.db2.gz TVEFMDQFGOAYHH-DAWZGUTISA-N 2 2 304.503 3.134 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246309976 432118370 /nfs/dbraw/zinc/11/83/70/432118370.db2.gz DEQGLRQXKSYCOD-CVEARBPZSA-N 2 2 317.477 3.021 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246309976 432118372 /nfs/dbraw/zinc/11/83/72/432118372.db2.gz DEQGLRQXKSYCOD-CVEARBPZSA-N 2 2 317.477 3.021 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468554230 244052886 /nfs/dbraw/zinc/05/28/86/244052886.db2.gz MTQKWYMJMZOVGO-XEYPJELSSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468554230 244052891 /nfs/dbraw/zinc/05/28/91/244052891.db2.gz MTQKWYMJMZOVGO-XEYPJELSSA-N 2 2 318.505 3.284 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468511874 244047568 /nfs/dbraw/zinc/04/75/68/244047568.db2.gz VOJBBBZOVWCISN-MTFMMBMASA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468511874 244047575 /nfs/dbraw/zinc/04/75/75/244047575.db2.gz VOJBBBZOVWCISN-MTFMMBMASA-N 2 2 316.489 3.302 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000469080657 244083954 /nfs/dbraw/zinc/08/39/54/244083954.db2.gz PZATWEPYTBJLMQ-QYZOEREBSA-N 3 2 309.542 3.207 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000469080657 244083962 /nfs/dbraw/zinc/08/39/62/244083962.db2.gz PZATWEPYTBJLMQ-QYZOEREBSA-N 3 2 309.542 3.207 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC000275106157 212123136 /nfs/dbraw/zinc/12/31/36/212123136.db2.gz FCDWMMHJYHVFSY-MRXNPFEDSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC000275106157 212123138 /nfs/dbraw/zinc/12/31/38/212123138.db2.gz FCDWMMHJYHVFSY-MRXNPFEDSA-N 2 2 305.441 3.165 20 0 DGADLP c1ccc(OCC2CC2)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000470018833 244139696 /nfs/dbraw/zinc/13/96/96/244139696.db2.gz QVCVHYYFKCLGKF-UHFFFAOYSA-N 2 2 314.473 3.439 20 0 DGADLP CCCC[N@H+](CC)Cc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000471749634 244239494 /nfs/dbraw/zinc/23/94/94/244239494.db2.gz RXXFXGBBEQNXHU-UHFFFAOYSA-N 2 2 312.461 3.441 20 0 DGADLP CCCC[N@@H+](CC)Cc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000471749634 244239499 /nfs/dbraw/zinc/23/94/99/244239499.db2.gz RXXFXGBBEQNXHU-UHFFFAOYSA-N 2 2 312.461 3.441 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055178 212097266 /nfs/dbraw/zinc/09/72/66/212097266.db2.gz UPPHCCNKIHEPBG-GXFFZTMASA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055178 212097267 /nfs/dbraw/zinc/09/72/67/212097267.db2.gz UPPHCCNKIHEPBG-GXFFZTMASA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)cs1 ZINC000275055178 212097268 /nfs/dbraw/zinc/09/72/68/212097268.db2.gz UPPHCCNKIHEPBG-GXFFZTMASA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)cs1 ZINC000275055178 212097269 /nfs/dbraw/zinc/09/72/69/212097269.db2.gz UPPHCCNKIHEPBG-GXFFZTMASA-N 2 2 317.296 3.283 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000474352686 244389643 /nfs/dbraw/zinc/38/96/43/244389643.db2.gz UEKSJIGOIWRHOW-UHFFFAOYSA-N 2 2 324.896 3.493 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000474363660 244392247 /nfs/dbraw/zinc/39/22/47/244392247.db2.gz WDJINTOOHAAJMC-INIZCTEOSA-N 2 2 324.896 3.085 20 0 DGADLP C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC[NH2+]1 ZINC000262450438 203296648 /nfs/dbraw/zinc/29/66/48/203296648.db2.gz UPCCRQLEZCHVMC-AAEUAGOBSA-N 2 2 312.417 3.157 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000474593508 244409403 /nfs/dbraw/zinc/40/94/03/244409403.db2.gz BVDOCYWHTJLYFH-FHWLQOOXSA-N 2 2 304.478 3.393 20 0 DGADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000119620976 284147208 /nfs/dbraw/zinc/14/72/08/284147208.db2.gz KBEKUMVBPWSKLD-SFHVURJKSA-N 2 2 324.428 3.176 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1nc2c(s1)CCCC2)C[NH+]1CCCC1 ZINC000093399379 193244671 /nfs/dbraw/zinc/24/46/71/193244671.db2.gz ZNQUWCFXRNPSPV-ZIAGYGMSSA-N 2 2 307.507 3.404 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1C ZINC000093692819 193290591 /nfs/dbraw/zinc/29/05/91/193290591.db2.gz MLQYISNYGPEXQJ-QGZVFWFLSA-N 2 2 306.498 3.074 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c1C ZINC000093692819 193290593 /nfs/dbraw/zinc/29/05/93/193290593.db2.gz MLQYISNYGPEXQJ-QGZVFWFLSA-N 2 2 306.498 3.074 20 0 DGADLP Cc1[nH]ncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000093844609 193317653 /nfs/dbraw/zinc/31/76/53/193317653.db2.gz MQZKGCYOTKYNBI-OAHLLOKOSA-N 2 2 304.482 3.195 20 0 DGADLP Cc1[nH]ncc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000093844609 193317654 /nfs/dbraw/zinc/31/76/54/193317654.db2.gz MQZKGCYOTKYNBI-OAHLLOKOSA-N 2 2 304.482 3.195 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000094341998 193362562 /nfs/dbraw/zinc/36/25/62/193362562.db2.gz YXXXKXZHOXFODU-RISCZKNCSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000094341998 193362564 /nfs/dbraw/zinc/36/25/64/193362564.db2.gz YXXXKXZHOXFODU-RISCZKNCSA-N 2 2 305.809 3.164 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486961040 245005187 /nfs/dbraw/zinc/00/51/87/245005187.db2.gz BFXJJDACCIGHSA-CWWFIGIMSA-N 2 2 307.441 3.349 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486961040 245005193 /nfs/dbraw/zinc/00/51/93/245005193.db2.gz BFXJJDACCIGHSA-CWWFIGIMSA-N 2 2 307.441 3.349 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000486980667 245008935 /nfs/dbraw/zinc/00/89/35/245008935.db2.gz KKJTYJUBQUFBTE-SJLPKXTDSA-N 2 2 324.472 3.344 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000486980667 245008937 /nfs/dbraw/zinc/00/89/37/245008937.db2.gz KKJTYJUBQUFBTE-SJLPKXTDSA-N 2 2 324.472 3.344 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CCSC1)Cc1ccccc1 ZINC000486990407 245011732 /nfs/dbraw/zinc/01/17/32/245011732.db2.gz PMJHCILWVUGDIG-QZTJIDSGSA-N 2 2 306.519 3.282 20 0 DGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)no1 ZINC000282558703 217087882 /nfs/dbraw/zinc/08/78/82/217087882.db2.gz DNMQVIYCSCEMJP-LBPRGKRZSA-N 2 2 300.337 3.159 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268732619 432126925 /nfs/dbraw/zinc/12/69/25/432126925.db2.gz ATUSCAZJJNJNQM-KRWDZBQOSA-N 2 2 307.397 3.163 20 0 DGADLP c1c[nH+]c([C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2ccccc2)[nH]1 ZINC000127455931 284340590 /nfs/dbraw/zinc/34/05/90/284340590.db2.gz BJSVCPQWLXQGNM-RTBURBONSA-N 2 2 324.472 3.353 20 0 DGADLP CC[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[NH+](CC)CC ZINC000266199328 205177715 /nfs/dbraw/zinc/17/77/15/205177715.db2.gz YQUBZNKYIUJQOB-OAHLLOKOSA-N 2 2 300.406 3.136 20 0 DGADLP Cc1[nH+]ccn1CCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000266308137 205254912 /nfs/dbraw/zinc/25/49/12/205254912.db2.gz ZROYTSRTFUVWCX-UHFFFAOYSA-N 2 2 322.416 3.163 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)COC2 ZINC000268771357 432130244 /nfs/dbraw/zinc/13/02/44/432130244.db2.gz PYUUZIMVWNAGPR-AWEZNQCLSA-N 2 2 307.397 3.258 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774919 432131351 /nfs/dbraw/zinc/13/13/51/432131351.db2.gz NGEWZUMWKTXKAY-ZYSHUDEJSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774919 432131354 /nfs/dbraw/zinc/13/13/54/432131354.db2.gz NGEWZUMWKTXKAY-ZYSHUDEJSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774919 432131358 /nfs/dbraw/zinc/13/13/58/432131358.db2.gz NGEWZUMWKTXKAY-ZYSHUDEJSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774919 432131362 /nfs/dbraw/zinc/13/13/62/432131362.db2.gz NGEWZUMWKTXKAY-ZYSHUDEJSA-N 2 2 310.445 3.150 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268780390 432133413 /nfs/dbraw/zinc/13/34/13/432133413.db2.gz SXOJPFLOSDEAGY-UHFFFAOYSA-N 3 2 317.521 3.013 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268780390 432133419 /nfs/dbraw/zinc/13/34/19/432133419.db2.gz SXOJPFLOSDEAGY-UHFFFAOYSA-N 3 2 317.521 3.013 20 0 DGADLP Fc1ccccc1[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267360981 206010399 /nfs/dbraw/zinc/01/03/99/206010399.db2.gz IDXSXAWDSQBJAO-INIZCTEOSA-N 2 2 322.387 3.396 20 0 DGADLP Fc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267360981 206010404 /nfs/dbraw/zinc/01/04/04/206010404.db2.gz IDXSXAWDSQBJAO-INIZCTEOSA-N 2 2 322.387 3.396 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(-c3cccnc3)c1)CC2 ZINC000494423945 246146743 /nfs/dbraw/zinc/14/67/43/246146743.db2.gz GPCVILVJXYWZPA-SFHVURJKSA-N 2 2 304.397 3.050 20 0 DGADLP Clc1cc2cccnc2c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494416356 246145074 /nfs/dbraw/zinc/14/50/74/246145074.db2.gz TZXJEBZMKRGJJO-OAHLLOKOSA-N 2 2 312.804 3.189 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000494495992 246155304 /nfs/dbraw/zinc/15/53/04/246155304.db2.gz NVMDGLPKSZTETJ-QAPCUYQASA-N 2 2 302.462 3.145 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000494495992 246155307 /nfs/dbraw/zinc/15/53/07/246155307.db2.gz NVMDGLPKSZTETJ-QAPCUYQASA-N 2 2 302.462 3.145 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(-c3ccncc3)c1)CC2 ZINC000494462873 246151520 /nfs/dbraw/zinc/15/15/20/246151520.db2.gz DEEKYOKSMAKKLM-GOSISDBHSA-N 2 2 304.397 3.050 20 0 DGADLP C[C@H](CC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000494977804 246218909 /nfs/dbraw/zinc/21/89/09/246218909.db2.gz SACCGPPEXCPTQF-WBVHZDCISA-N 2 2 319.497 3.280 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c[nH+]1 ZINC000495600584 246285243 /nfs/dbraw/zinc/28/52/43/246285243.db2.gz AJELQUNBVIYEID-OAHLLOKOSA-N 2 2 321.465 3.216 20 0 DGADLP C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000495935230 246329617 /nfs/dbraw/zinc/32/96/17/246329617.db2.gz NJJQWIDRZYDLMM-CQSZACIVSA-N 2 2 319.449 3.024 20 0 DGADLP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000495935230 246329619 /nfs/dbraw/zinc/32/96/19/246329619.db2.gz NJJQWIDRZYDLMM-CQSZACIVSA-N 2 2 319.449 3.024 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268800996 432137324 /nfs/dbraw/zinc/13/73/24/432137324.db2.gz YKSMZJSRRPEBRH-RYGJVYDSSA-N 3 2 324.472 3.458 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268800996 432137326 /nfs/dbraw/zinc/13/73/26/432137326.db2.gz YKSMZJSRRPEBRH-RYGJVYDSSA-N 3 2 324.472 3.458 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000135915817 432140030 /nfs/dbraw/zinc/14/00/30/432140030.db2.gz RHMNFZRGLPDKLP-UHFFFAOYSA-N 2 2 300.368 3.456 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002069 206387312 /nfs/dbraw/zinc/38/73/12/206387312.db2.gz BPOKGIAVWMNPLZ-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002069 206387317 /nfs/dbraw/zinc/38/73/17/206387317.db2.gz BPOKGIAVWMNPLZ-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP CCCc1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000136089281 432146026 /nfs/dbraw/zinc/14/60/26/432146026.db2.gz OROUMFYGNIPGOY-DZGCQCFKSA-N 2 2 304.463 3.375 20 0 DGADLP CCCc1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000136089281 432146030 /nfs/dbraw/zinc/14/60/30/432146030.db2.gz OROUMFYGNIPGOY-DZGCQCFKSA-N 2 2 304.463 3.375 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000278712601 284614211 /nfs/dbraw/zinc/61/42/11/284614211.db2.gz LRIKAKNGUKIKSQ-ZDUSSCGKSA-N 2 2 317.389 3.004 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000040599162 183108029 /nfs/dbraw/zinc/10/80/29/183108029.db2.gz DHLBDOLDNWUUBV-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000040599162 183108030 /nfs/dbraw/zinc/10/80/30/183108030.db2.gz DHLBDOLDNWUUBV-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP Fc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)ccc1-n1cc[nH+]c1 ZINC000268982857 432149406 /nfs/dbraw/zinc/14/94/06/432149406.db2.gz RNDXFLJICMTNEI-HNNXBMFYSA-N 2 2 315.392 3.203 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1F ZINC000042427245 183269393 /nfs/dbraw/zinc/26/93/93/183269393.db2.gz ACDKJJFUUYAYGY-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1F ZINC000042427245 183269394 /nfs/dbraw/zinc/26/93/94/183269394.db2.gz ACDKJJFUUYAYGY-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1F ZINC000042427458 183269542 /nfs/dbraw/zinc/26/95/42/183269542.db2.gz RDEUGSUZAZSJQR-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1F ZINC000042427458 183269545 /nfs/dbraw/zinc/26/95/45/183269545.db2.gz RDEUGSUZAZSJQR-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC3(C)C)[nH+]c2)CC1 ZINC000284286090 217963054 /nfs/dbraw/zinc/96/30/54/217963054.db2.gz KBEMSMVOSAYKLL-INIZCTEOSA-N 2 2 302.466 3.213 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000284424914 218021665 /nfs/dbraw/zinc/02/16/65/218021665.db2.gz RNIZRKAIHVRHMN-UHFFFAOYSA-N 2 2 321.428 3.250 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000284513380 218059806 /nfs/dbraw/zinc/05/98/06/218059806.db2.gz WFDYRCPYYIUHAD-LBPRGKRZSA-N 2 2 311.857 3.267 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000106366444 194202002 /nfs/dbraw/zinc/20/20/02/194202002.db2.gz VQNVLMXCJSOVCN-UHFFFAOYSA-N 2 2 314.857 3.179 20 0 DGADLP FC(F)Oc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109794316 194287445 /nfs/dbraw/zinc/28/74/45/194287445.db2.gz XRVQFKOJYOVNFD-UHFFFAOYSA-N 2 2 307.344 3.322 20 0 DGADLP CC[C@H](C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268849651 207017727 /nfs/dbraw/zinc/01/77/27/207017727.db2.gz CNAMDIAIWAPTFG-KBXCAEBGSA-N 2 2 324.896 3.301 20 0 DGADLP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268911017 207079601 /nfs/dbraw/zinc/07/96/01/207079601.db2.gz MVOSOZFDJLBFAM-KSSFIOAISA-N 2 2 301.434 3.320 20 0 DGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000269010506 207162592 /nfs/dbraw/zinc/16/25/92/207162592.db2.gz XFMAWNDJDIIQAH-IRXDYDNUSA-N 2 2 308.491 3.173 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC000269048787 207197649 /nfs/dbraw/zinc/19/76/49/207197649.db2.gz VNQUEBLVQOHXGQ-VXGBXAGGSA-N 2 2 314.857 3.348 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000269070035 207217052 /nfs/dbraw/zinc/21/70/52/207217052.db2.gz ZTGDFBQRXXOXMJ-CQSZACIVSA-N 2 2 318.461 3.371 20 0 DGADLP CC[NH+](CC)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000119717350 195024209 /nfs/dbraw/zinc/02/42/09/195024209.db2.gz CLJDQWWWLLKJAH-UHFFFAOYSA-N 2 2 300.406 3.111 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)[nH]1 ZINC000336864285 253013181 /nfs/dbraw/zinc/01/31/81/253013181.db2.gz QNHVMBVUBKOIBO-INIZCTEOSA-N 2 2 303.450 3.471 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(C)(C)CC3)c2cc1C ZINC000336870988 253014730 /nfs/dbraw/zinc/01/47/30/253014730.db2.gz KYZUCVNBCKIUJY-MRXNPFEDSA-N 2 2 315.461 3.136 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000336855006 253008767 /nfs/dbraw/zinc/00/87/67/253008767.db2.gz TZFCVGSYTCLYDD-KBPBESRZSA-N 2 2 324.852 3.074 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000336855006 253008770 /nfs/dbraw/zinc/00/87/70/253008770.db2.gz TZFCVGSYTCLYDD-KBPBESRZSA-N 2 2 324.852 3.074 20 0 DGADLP C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336862959 253012871 /nfs/dbraw/zinc/01/28/71/253012871.db2.gz CKNSPDACWRTFBT-OAHLLOKOSA-N 2 2 307.397 3.471 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCCCCO ZINC000270134090 208193521 /nfs/dbraw/zinc/19/35/21/208193521.db2.gz HMRKCYIDXJURLZ-KRWDZBQOSA-N 2 2 315.461 3.362 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCCCCCO ZINC000270134090 208193525 /nfs/dbraw/zinc/19/35/25/208193525.db2.gz HMRKCYIDXJURLZ-KRWDZBQOSA-N 2 2 315.461 3.362 20 0 DGADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2ccsc2)CC1 ZINC000337144569 253053696 /nfs/dbraw/zinc/05/36/96/253053696.db2.gz WRJJAVDCIAFDHN-MRXNPFEDSA-N 2 2 324.490 3.016 20 0 DGADLP [NH3+][C@H]1C[N@H+](CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337048681 253040950 /nfs/dbraw/zinc/04/09/50/253040950.db2.gz HWHMJFRDTHJOIE-RTWAWAEBSA-N 2 2 324.468 3.063 20 0 DGADLP [NH3+][C@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337048681 253040952 /nfs/dbraw/zinc/04/09/52/253040952.db2.gz HWHMJFRDTHJOIE-RTWAWAEBSA-N 2 2 324.468 3.063 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)[nH+]c2n1CCCC2 ZINC000337344008 253092796 /nfs/dbraw/zinc/09/27/96/253092796.db2.gz STERKFZHHZROQN-SJLPKXTDSA-N 2 2 324.472 3.473 20 0 DGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000337347884 253093639 /nfs/dbraw/zinc/09/36/39/253093639.db2.gz YCHRXTSUIULFIE-QFBILLFUSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000337690783 253160482 /nfs/dbraw/zinc/16/04/82/253160482.db2.gz ULJWBDKTBPJLGL-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000337690783 253160484 /nfs/dbraw/zinc/16/04/84/253160484.db2.gz ULJWBDKTBPJLGL-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCc4ccccc4OC3)CC2)[nH+]c1 ZINC000338027580 253212454 /nfs/dbraw/zinc/21/24/54/253212454.db2.gz LLMVYIZVRZEZNO-SFHVURJKSA-N 2 2 323.440 3.034 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2[nH+]1 ZINC000338009315 253209187 /nfs/dbraw/zinc/20/91/87/253209187.db2.gz PFDZVQXAWVANTL-UHFFFAOYSA-N 2 2 308.385 3.185 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000338294650 253259162 /nfs/dbraw/zinc/25/91/62/253259162.db2.gz KSSZPFQDLDXDRF-ICSRJNTNSA-N 3 2 317.521 3.219 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000338294650 253259163 /nfs/dbraw/zinc/25/91/63/253259163.db2.gz KSSZPFQDLDXDRF-ICSRJNTNSA-N 3 2 317.521 3.219 20 0 DGADLP Cc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c(-c2ccnn2C)c1 ZINC000338444195 253288830 /nfs/dbraw/zinc/28/88/30/253288830.db2.gz MZMSPNDWUUMMFI-UHFFFAOYSA-N 2 2 324.472 3.137 20 0 DGADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c(-c2ccnn2C)c1 ZINC000338444195 253288832 /nfs/dbraw/zinc/28/88/32/253288832.db2.gz MZMSPNDWUUMMFI-UHFFFAOYSA-N 2 2 324.472 3.137 20 0 DGADLP C[C@@H]1CC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000338781115 253350714 /nfs/dbraw/zinc/35/07/14/253350714.db2.gz AXUKRHYABYRENJ-HZPDHXFCSA-N 2 2 317.477 3.234 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)Cn3cccn3)ccc2n1C1CC1 ZINC000338784415 253351210 /nfs/dbraw/zinc/35/12/10/253351210.db2.gz YRHBTEQOYDQFNV-AWEZNQCLSA-N 2 2 323.444 3.308 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](COC)C3CC3)ccc2n1C1CC1 ZINC000338796208 253353653 /nfs/dbraw/zinc/35/36/53/253353653.db2.gz UVIXJLATDKURDB-KRWDZBQOSA-N 2 2 313.445 3.448 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852726 197306757 /nfs/dbraw/zinc/30/67/57/197306757.db2.gz SJFSBPVRJGNVMW-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852726 197306759 /nfs/dbraw/zinc/30/67/59/197306759.db2.gz SJFSBPVRJGNVMW-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852726 197306761 /nfs/dbraw/zinc/30/67/61/197306761.db2.gz SJFSBPVRJGNVMW-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852726 197306763 /nfs/dbraw/zinc/30/67/63/197306763.db2.gz SJFSBPVRJGNVMW-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000282439492 285145766 /nfs/dbraw/zinc/14/57/66/285145766.db2.gz ZJHBGPYRQUOUKW-NEWSRXKRSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000282439492 285145769 /nfs/dbraw/zinc/14/57/69/285145769.db2.gz ZJHBGPYRQUOUKW-NEWSRXKRSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000288686709 220348414 /nfs/dbraw/zinc/34/84/14/220348414.db2.gz XPIBEGSJSWRZAF-MRXNPFEDSA-N 2 2 322.456 3.183 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000288686709 220348418 /nfs/dbraw/zinc/34/84/18/220348418.db2.gz XPIBEGSJSWRZAF-MRXNPFEDSA-N 2 2 322.456 3.183 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120281390 195134985 /nfs/dbraw/zinc/13/49/85/195134985.db2.gz FGIKBRQTMHEYPO-CRAIPNDOSA-N 2 2 324.428 3.419 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000342619512 254020052 /nfs/dbraw/zinc/02/00/52/254020052.db2.gz RRQHKSKXJWFLSE-JCZGSWPSSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000342619512 254020054 /nfs/dbraw/zinc/02/00/54/254020054.db2.gz RRQHKSKXJWFLSE-JCZGSWPSSA-N 2 2 302.462 3.260 20 0 DGADLP Oc1ccc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000342654038 254026698 /nfs/dbraw/zinc/02/66/98/254026698.db2.gz FDLNXRBEXOEDQD-UHFFFAOYSA-N 2 2 307.397 3.420 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000342672880 254029681 /nfs/dbraw/zinc/02/96/81/254029681.db2.gz FMECNAKQHBFMBO-SOLBZPMBSA-N 2 2 312.461 3.172 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000342672880 254029684 /nfs/dbraw/zinc/02/96/84/254029684.db2.gz FMECNAKQHBFMBO-SOLBZPMBSA-N 2 2 312.461 3.172 20 0 DGADLP C[N@H+](CCOc1cccc(Cl)c1)Cc1cccc2[nH+]ccn21 ZINC000342686478 254032070 /nfs/dbraw/zinc/03/20/70/254032070.db2.gz YDEYDZZMLJWFBM-UHFFFAOYSA-N 2 2 315.804 3.499 20 0 DGADLP C[N@@H+](CCOc1cccc(Cl)c1)Cc1cccc2[nH+]ccn21 ZINC000342686478 254032074 /nfs/dbraw/zinc/03/20/74/254032074.db2.gz YDEYDZZMLJWFBM-UHFFFAOYSA-N 2 2 315.804 3.499 20 0 DGADLP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342930378 254075904 /nfs/dbraw/zinc/07/59/04/254075904.db2.gz UJDYBEBYNAQBRG-HOTGVXAUSA-N 2 2 301.434 3.360 20 0 DGADLP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342930378 254075905 /nfs/dbraw/zinc/07/59/05/254075905.db2.gz UJDYBEBYNAQBRG-HOTGVXAUSA-N 2 2 301.434 3.360 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000342792016 254051668 /nfs/dbraw/zinc/05/16/68/254051668.db2.gz GDCPTDGFPIBVNH-WBVHZDCISA-N 2 2 324.509 3.208 20 0 DGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000342805255 254055216 /nfs/dbraw/zinc/05/52/16/254055216.db2.gz DUEGNSDSYXFKJK-RDTXWAMCSA-N 2 2 322.518 3.419 20 0 DGADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc(C)n1 ZINC000342814287 254057086 /nfs/dbraw/zinc/05/70/86/254057086.db2.gz MFWSSTOVAJWHIA-AWEZNQCLSA-N 2 2 307.401 3.130 20 0 DGADLP CCc1nc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc(C)[nH+]1 ZINC000342834618 254061744 /nfs/dbraw/zinc/06/17/44/254061744.db2.gz JUPKULKTXKWQOY-AWEZNQCLSA-N 2 2 316.474 3.292 20 0 DGADLP CC1(C)COCC[N@@H+]1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000342958541 254080619 /nfs/dbraw/zinc/08/06/19/254080619.db2.gz ZKCKUFUWLOKHNP-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP CC1(C)COCC[N@H+]1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000342958541 254080620 /nfs/dbraw/zinc/08/06/20/254080620.db2.gz ZKCKUFUWLOKHNP-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000157528613 197194472 /nfs/dbraw/zinc/19/44/72/197194472.db2.gz XFJVKGXDDHCAFS-MJGOQNOKSA-N 2 2 312.461 3.088 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](CO)c2cccc(Cl)c2F)c[nH+]1 ZINC000343599002 254166029 /nfs/dbraw/zinc/16/60/29/254166029.db2.gz GLRXNXFVIVXRFN-INIZCTEOSA-N 2 2 322.811 3.438 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000343669674 254175539 /nfs/dbraw/zinc/17/55/39/254175539.db2.gz QXJACGIXGODZPV-GOSISDBHSA-N 2 2 322.456 3.026 20 0 DGADLP Cc1cc(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000343669674 254175541 /nfs/dbraw/zinc/17/55/41/254175541.db2.gz QXJACGIXGODZPV-GOSISDBHSA-N 2 2 322.456 3.026 20 0 DGADLP C[N@H+](CCCOCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000343682623 254177236 /nfs/dbraw/zinc/17/72/36/254177236.db2.gz RPKPARLIJXADAD-UHFFFAOYSA-N 2 2 309.413 3.373 20 0 DGADLP C[N@@H+](CCCOCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000343682623 254177237 /nfs/dbraw/zinc/17/72/37/254177237.db2.gz RPKPARLIJXADAD-UHFFFAOYSA-N 2 2 309.413 3.373 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827227 254193428 /nfs/dbraw/zinc/19/34/28/254193428.db2.gz AFGICYXVSCWWLV-VHSXEESVSA-N 2 2 319.396 3.297 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827227 254193430 /nfs/dbraw/zinc/19/34/30/254193430.db2.gz AFGICYXVSCWWLV-VHSXEESVSA-N 2 2 319.396 3.297 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846550 254195541 /nfs/dbraw/zinc/19/55/41/254195541.db2.gz ZOZVDZOQFGCGKX-UWVGGRQHSA-N 2 2 307.385 3.154 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846550 254195543 /nfs/dbraw/zinc/19/55/43/254195543.db2.gz ZOZVDZOQFGCGKX-UWVGGRQHSA-N 2 2 307.385 3.154 20 0 DGADLP C1=CC[C@@H](C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000343902991 254201426 /nfs/dbraw/zinc/20/14/26/254201426.db2.gz UKDIRACXKNQFMQ-GOSISDBHSA-N 2 2 306.494 3.215 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CCSC1 ZINC000344073613 254221469 /nfs/dbraw/zinc/22/14/69/254221469.db2.gz MCSGGCMIHVZYPF-IRXDYDNUSA-N 2 2 308.466 3.230 20 0 DGADLP CCC1(CC)[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C[C@@H]1OC ZINC000344169667 254235172 /nfs/dbraw/zinc/23/51/72/254235172.db2.gz MCPXCNUNSKAENO-HOTGVXAUSA-N 2 2 305.466 3.457 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332158 254257683 /nfs/dbraw/zinc/25/76/83/254257683.db2.gz YFOIQCSZJZXUSM-BXUZGUMPSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332158 254257685 /nfs/dbraw/zinc/25/76/85/254257685.db2.gz YFOIQCSZJZXUSM-BXUZGUMPSA-N 2 2 302.340 3.158 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1Br ZINC000344350379 254260590 /nfs/dbraw/zinc/26/05/90/254260590.db2.gz IOXGCBSWCXHELF-IUODEOHRSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1Br ZINC000344350379 254260591 /nfs/dbraw/zinc/26/05/91/254260591.db2.gz IOXGCBSWCXHELF-IUODEOHRSA-N 2 2 311.267 3.330 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000344765043 254303420 /nfs/dbraw/zinc/30/34/20/254303420.db2.gz OUXKNQFLBJBIBP-FUHIMQAGSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000344765043 254303421 /nfs/dbraw/zinc/30/34/21/254303421.db2.gz OUXKNQFLBJBIBP-FUHIMQAGSA-N 2 2 309.457 3.438 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000255954609 285189348 /nfs/dbraw/zinc/18/93/48/285189348.db2.gz UYVXXNVWCMTTCB-PBHICJAKSA-N 2 2 310.869 3.347 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000255954609 285189350 /nfs/dbraw/zinc/18/93/50/285189350.db2.gz UYVXXNVWCMTTCB-PBHICJAKSA-N 2 2 310.869 3.347 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCc4cn(C(C)C)nc4C3)n2c1 ZINC000345011734 254323225 /nfs/dbraw/zinc/32/32/25/254323225.db2.gz BULPYUQXROXMMB-INIZCTEOSA-N 2 2 323.444 3.067 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C2CC[NH+](C)CC2)cc1Cl ZINC000156729176 197136815 /nfs/dbraw/zinc/13/68/15/197136815.db2.gz RNKXRKMTHPKJAB-UHFFFAOYSA-N 2 2 303.233 3.186 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C(C)(C)O1 ZINC000156220592 197096620 /nfs/dbraw/zinc/09/66/20/197096620.db2.gz NVLVLNYBESUOGZ-HNNXBMFYSA-N 2 2 301.434 3.431 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2sccc2Br)CC[N@@H+]1C ZINC000156157057 197090960 /nfs/dbraw/zinc/09/09/60/197090960.db2.gz FQWRADDSAQXHDW-VHSXEESVSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2sccc2Br)CC[N@H+]1C ZINC000156157057 197090962 /nfs/dbraw/zinc/09/09/62/197090962.db2.gz FQWRADDSAQXHDW-VHSXEESVSA-N 2 2 303.269 3.083 20 0 DGADLP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435055326 533156918 /nfs/dbraw/zinc/15/69/18/533156918.db2.gz IGMDUBLMSLBVJW-DNVCBOLYSA-N 2 2 312.413 3.347 20 0 DGADLP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435055326 533156920 /nfs/dbraw/zinc/15/69/20/533156920.db2.gz IGMDUBLMSLBVJW-DNVCBOLYSA-N 2 2 312.413 3.347 20 0 DGADLP Cc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)cn2c1 ZINC000283815978 285233176 /nfs/dbraw/zinc/23/31/76/285233176.db2.gz DQXUQOHRAPOKKA-KRWDZBQOSA-N 2 2 314.477 3.100 20 0 DGADLP Cc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)cn2c1 ZINC000283815978 285233177 /nfs/dbraw/zinc/23/31/77/285233177.db2.gz DQXUQOHRAPOKKA-KRWDZBQOSA-N 2 2 314.477 3.100 20 0 DGADLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000294845173 224259761 /nfs/dbraw/zinc/25/97/61/224259761.db2.gz RMNLWVOSRHMMKN-SJORKVTESA-N 2 2 304.434 3.034 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)N(C)C ZINC000120741765 195229061 /nfs/dbraw/zinc/22/90/61/195229061.db2.gz CUILTRAEFWKZFQ-VQIMIIECSA-N 2 2 314.477 3.499 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000289491270 221015333 /nfs/dbraw/zinc/01/53/33/221015333.db2.gz CLUADPJYPVYCKY-UHFFFAOYSA-N 3 2 303.494 3.376 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289681790 221151349 /nfs/dbraw/zinc/15/13/49/221151349.db2.gz CLXDJMOFONHOGD-SFHVURJKSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289681790 221151352 /nfs/dbraw/zinc/15/13/52/221151352.db2.gz CLXDJMOFONHOGD-SFHVURJKSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289681790 221151355 /nfs/dbraw/zinc/15/13/55/221151355.db2.gz CLXDJMOFONHOGD-SFHVURJKSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289681790 221151356 /nfs/dbraw/zinc/15/13/56/221151356.db2.gz CLXDJMOFONHOGD-SFHVURJKSA-N 2 2 312.461 3.110 20 0 DGADLP c1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000289960295 221342126 /nfs/dbraw/zinc/34/21/26/221342126.db2.gz ZBPGWQHIAIXYEJ-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP c1ncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000289960295 221342127 /nfs/dbraw/zinc/34/21/27/221342127.db2.gz ZBPGWQHIAIXYEJ-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP c1ncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000289960295 221342130 /nfs/dbraw/zinc/34/21/30/221342130.db2.gz ZBPGWQHIAIXYEJ-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP c1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000289960295 221342133 /nfs/dbraw/zinc/34/21/33/221342133.db2.gz ZBPGWQHIAIXYEJ-GOSISDBHSA-N 2 2 313.470 3.241 20 0 DGADLP c1ncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000289960302 221342224 /nfs/dbraw/zinc/34/22/24/221342224.db2.gz ZBPGWQHIAIXYEJ-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP c1ncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000289960302 221342226 /nfs/dbraw/zinc/34/22/26/221342226.db2.gz ZBPGWQHIAIXYEJ-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP c1ncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000289960302 221342227 /nfs/dbraw/zinc/34/22/27/221342227.db2.gz ZBPGWQHIAIXYEJ-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP c1ncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000289960302 221342228 /nfs/dbraw/zinc/34/22/28/221342228.db2.gz ZBPGWQHIAIXYEJ-SFHVURJKSA-N 2 2 313.470 3.241 20 0 DGADLP C[N@H+](Cc1cnc2ccc(Cl)cn12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289969614 221350342 /nfs/dbraw/zinc/35/03/42/221350342.db2.gz ZIANTCDJWZTLJZ-YIONKMFJSA-N 2 2 318.852 3.045 20 0 DGADLP C[N@@H+](Cc1cnc2ccc(Cl)cn12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289969614 221350345 /nfs/dbraw/zinc/35/03/45/221350345.db2.gz ZIANTCDJWZTLJZ-YIONKMFJSA-N 2 2 318.852 3.045 20 0 DGADLP C[NH+](Cc1cnc2ccc(Cl)cn12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289969614 221350348 /nfs/dbraw/zinc/35/03/48/221350348.db2.gz ZIANTCDJWZTLJZ-YIONKMFJSA-N 2 2 318.852 3.045 20 0 DGADLP C[NH+](Cc1cnc2ccc(Cl)cn12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289969614 221350350 /nfs/dbraw/zinc/35/03/50/221350350.db2.gz ZIANTCDJWZTLJZ-YIONKMFJSA-N 2 2 318.852 3.045 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000349384432 285342905 /nfs/dbraw/zinc/34/29/05/285342905.db2.gz ODXKDDYJDSNCKM-UHFFFAOYSA-N 2 2 300.393 3.452 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000349384432 285342906 /nfs/dbraw/zinc/34/29/06/285342906.db2.gz ODXKDDYJDSNCKM-UHFFFAOYSA-N 2 2 300.393 3.452 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000120948159 195269566 /nfs/dbraw/zinc/26/95/66/195269566.db2.gz SHHLMDGYPDUORG-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000120948159 195269568 /nfs/dbraw/zinc/26/95/68/195269568.db2.gz SHHLMDGYPDUORG-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1nc2ccccc2n1C)C[NH+]1CCCCC1 ZINC000121580579 195310631 /nfs/dbraw/zinc/31/06/31/195310631.db2.gz FKAKQOUCNNJJPY-HOTGVXAUSA-N 2 2 314.477 3.346 20 0 DGADLP CCC(O)(CC)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000121918404 195374567 /nfs/dbraw/zinc/37/45/67/195374567.db2.gz DGPSOJXPHHLTJV-UHFFFAOYSA-N 2 2 324.896 3.445 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000449480673 285378217 /nfs/dbraw/zinc/37/82/17/285378217.db2.gz PBFKDHZDDBOTTA-DHSIGJKJSA-N 2 2 322.880 3.142 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000449480673 285378219 /nfs/dbraw/zinc/37/82/19/285378219.db2.gz PBFKDHZDDBOTTA-DHSIGJKJSA-N 2 2 322.880 3.142 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@@H]1C[NH3+] ZINC000415123254 533642896 /nfs/dbraw/zinc/64/28/96/533642896.db2.gz JHMKUWWGKMUQKI-ZFWWWQNUSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@@H]1C[NH3+] ZINC000415123254 533642899 /nfs/dbraw/zinc/64/28/99/533642899.db2.gz JHMKUWWGKMUQKI-ZFWWWQNUSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1N(C)C ZINC000163845354 132125168 /nfs/dbraw/zinc/12/51/68/132125168.db2.gz MOBLYYLNTXDTSZ-CQSZACIVSA-N 2 2 316.424 3.440 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC([NH+]4CCCC4)CC3)c21 ZINC000450263415 285525055 /nfs/dbraw/zinc/52/50/55/285525055.db2.gz WQULJLFXMJPKOK-UHFFFAOYSA-N 2 2 321.428 3.176 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000584774219 400101104 /nfs/dbraw/zinc/10/11/04/400101104.db2.gz HHBCBEHWYHYZFP-GOSISDBHSA-N 2 2 319.399 3.427 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090846757 400079328 /nfs/dbraw/zinc/07/93/28/400079328.db2.gz OFSLHWUTUFMLTO-MRXNPFEDSA-N 2 2 323.440 3.410 20 0 DGADLP CC(C)CSCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090882043 400081338 /nfs/dbraw/zinc/08/13/38/400081338.db2.gz CNOOMXLHWQUYEA-UHFFFAOYSA-N 2 2 321.534 3.415 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959834 400143191 /nfs/dbraw/zinc/14/31/91/400143191.db2.gz NFJQYXXDSKFFJK-LPHOPBHVSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959834 400143193 /nfs/dbraw/zinc/14/31/93/400143193.db2.gz NFJQYXXDSKFFJK-LPHOPBHVSA-N 2 2 321.428 3.152 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066958 400151253 /nfs/dbraw/zinc/15/12/53/400151253.db2.gz NXRVNAFTLCQJLY-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066958 400151258 /nfs/dbraw/zinc/15/12/58/400151258.db2.gz NXRVNAFTLCQJLY-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066958 400151261 /nfs/dbraw/zinc/15/12/61/400151261.db2.gz NXRVNAFTLCQJLY-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066958 400151266 /nfs/dbraw/zinc/15/12/66/400151266.db2.gz NXRVNAFTLCQJLY-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]1 ZINC000092071987 400151932 /nfs/dbraw/zinc/15/19/32/400151932.db2.gz SRRFFEIRMXDNDW-OAHLLOKOSA-N 2 2 307.401 3.179 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]1 ZINC000092071987 400151934 /nfs/dbraw/zinc/15/19/34/400151934.db2.gz SRRFFEIRMXDNDW-OAHLLOKOSA-N 2 2 307.401 3.179 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)cc1 ZINC000320159509 400164008 /nfs/dbraw/zinc/16/40/08/400164008.db2.gz QFBYJWFFSRJORZ-UKRRQHHQSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)cc1 ZINC000320159509 400164013 /nfs/dbraw/zinc/16/40/13/400164013.db2.gz QFBYJWFFSRJORZ-UKRRQHHQSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000095696774 400273807 /nfs/dbraw/zinc/27/38/07/400273807.db2.gz RPTJIQGCUKPEET-UHFFFAOYSA-N 2 2 321.896 3.338 20 0 DGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601827395 400360786 /nfs/dbraw/zinc/36/07/86/400360786.db2.gz VXGSZWNMGCDCDF-KRWDZBQOSA-N 2 2 311.385 3.297 20 0 DGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601827395 400360790 /nfs/dbraw/zinc/36/07/90/400360790.db2.gz VXGSZWNMGCDCDF-KRWDZBQOSA-N 2 2 311.385 3.297 20 0 DGADLP Fc1cccc(Cl)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112119247 400370300 /nfs/dbraw/zinc/37/03/00/400370300.db2.gz AGDUVIDIQUPIIE-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP FC(F)Oc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112119255 400370463 /nfs/dbraw/zinc/37/04/63/400370463.db2.gz OXFIBXUNJFPMRZ-UHFFFAOYSA-N 2 2 319.355 3.005 20 0 DGADLP FC(F)(F)c1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112119431 400370630 /nfs/dbraw/zinc/37/06/30/400370630.db2.gz PILIIYWFVXOXLI-UHFFFAOYSA-N 2 2 321.346 3.423 20 0 DGADLP O[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000116238368 400408995 /nfs/dbraw/zinc/40/89/95/400408995.db2.gz UKMSRMAOSWHBKZ-GOSISDBHSA-N 2 2 322.880 3.324 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708707 400420820 /nfs/dbraw/zinc/42/08/20/400420820.db2.gz BIJKCZDDVWQVLS-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708707 400420822 /nfs/dbraw/zinc/42/08/22/400420822.db2.gz BIJKCZDDVWQVLS-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000590708707 400420826 /nfs/dbraw/zinc/42/08/26/400420826.db2.gz BIJKCZDDVWQVLS-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000590708707 400420828 /nfs/dbraw/zinc/42/08/28/400420828.db2.gz BIJKCZDDVWQVLS-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081933 400484420 /nfs/dbraw/zinc/48/44/20/400484420.db2.gz BWJUVTBVLZYPGS-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081933 400484426 /nfs/dbraw/zinc/48/44/26/400484426.db2.gz BWJUVTBVLZYPGS-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000591083571 400485797 /nfs/dbraw/zinc/48/57/97/400485797.db2.gz YIBQTWHSEGXGGH-HNNXBMFYSA-N 2 2 323.400 3.079 20 0 DGADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000591083571 400485806 /nfs/dbraw/zinc/48/58/06/400485806.db2.gz YIBQTWHSEGXGGH-HNNXBMFYSA-N 2 2 323.400 3.079 20 0 DGADLP Brc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353281 400489948 /nfs/dbraw/zinc/48/99/48/400489948.db2.gz DQQGRUZMDZHRJJ-UHFFFAOYSA-N 2 2 308.223 3.216 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000591379525 400516108 /nfs/dbraw/zinc/51/61/08/400516108.db2.gz DPHIXIJCCDNFJR-GOSISDBHSA-N 2 2 311.429 3.364 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000129066232 400521716 /nfs/dbraw/zinc/52/17/16/400521716.db2.gz XNSLOGYSQLEFBN-DZGCQCFKSA-N 2 2 301.459 3.430 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000129066232 400521719 /nfs/dbraw/zinc/52/17/19/400521719.db2.gz XNSLOGYSQLEFBN-DZGCQCFKSA-N 2 2 301.459 3.430 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000075021874 400553151 /nfs/dbraw/zinc/55/31/51/400553151.db2.gz RSTXYWKTTFMHCV-XYPHTWIQSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000075021874 400553157 /nfs/dbraw/zinc/55/31/57/400553157.db2.gz RSTXYWKTTFMHCV-XYPHTWIQSA-N 2 2 315.461 3.134 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)c[nH+]1 ZINC000591868397 400568458 /nfs/dbraw/zinc/56/84/58/400568458.db2.gz ZGFOGVNRQBAFLC-MRXNPFEDSA-N 2 2 308.385 3.375 20 0 DGADLP CC[N@@H+](Cc1ncc(C)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154568 400639362 /nfs/dbraw/zinc/63/93/62/400639362.db2.gz VDTBYHKZCWARDY-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[N@H+](Cc1ncc(C)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154568 400639364 /nfs/dbraw/zinc/63/93/64/400639364.db2.gz VDTBYHKZCWARDY-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ncc(C)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154568 400639366 /nfs/dbraw/zinc/63/93/66/400639366.db2.gz VDTBYHKZCWARDY-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ncc(C)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154568 400639368 /nfs/dbraw/zinc/63/93/68/400639368.db2.gz VDTBYHKZCWARDY-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000597238392 400596395 /nfs/dbraw/zinc/59/63/95/400596395.db2.gz IGDOCKBEDYUNGX-FUHWJXTLSA-N 2 2 304.434 3.034 20 0 DGADLP Clc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000075779745 400610728 /nfs/dbraw/zinc/61/07/28/400610728.db2.gz BVIFWMKFJIQXNL-UHFFFAOYSA-N 2 2 301.777 3.468 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(CC(C)C)no2)CC1 ZINC000052208586 400723242 /nfs/dbraw/zinc/72/32/42/400723242.db2.gz ZNHMQIORRVEWPK-UHFFFAOYSA-N 2 2 322.497 3.212 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(CC(C)C)no2)CC1 ZINC000052208586 400723244 /nfs/dbraw/zinc/72/32/44/400723244.db2.gz ZNHMQIORRVEWPK-UHFFFAOYSA-N 2 2 322.497 3.212 20 0 DGADLP Fc1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052004099 400713071 /nfs/dbraw/zinc/71/30/71/400713071.db2.gz RJBZBZHJOMDFAH-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000619047602 400757376 /nfs/dbraw/zinc/75/73/76/400757376.db2.gz YOQKINHEIDGREY-MRXNPFEDSA-N 2 2 324.490 3.014 20 0 DGADLP COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000619047602 400757380 /nfs/dbraw/zinc/75/73/80/400757380.db2.gz YOQKINHEIDGREY-MRXNPFEDSA-N 2 2 324.490 3.014 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389639 400772828 /nfs/dbraw/zinc/77/28/28/400772828.db2.gz MSYSYQIAPFOBMI-CRAIPNDOSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389639 400772829 /nfs/dbraw/zinc/77/28/29/400772829.db2.gz MSYSYQIAPFOBMI-CRAIPNDOSA-N 2 2 321.896 3.113 20 0 DGADLP C[N@@H+](Cc1sccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000172351249 400822772 /nfs/dbraw/zinc/82/27/72/400822772.db2.gz YMUYHVBTHWASBB-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP C[N@H+](Cc1sccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000172351249 400822774 /nfs/dbraw/zinc/82/27/74/400822774.db2.gz YMUYHVBTHWASBB-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1sccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000172351249 400822775 /nfs/dbraw/zinc/82/27/75/400822775.db2.gz YMUYHVBTHWASBB-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1sccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172351249 400822777 /nfs/dbraw/zinc/82/27/77/400822777.db2.gz YMUYHVBTHWASBB-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP C[C@H]1C[NH+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@H](C)O1 ZINC000080767702 400988945 /nfs/dbraw/zinc/98/89/45/400988945.db2.gz LGQVEIMSUOHCFX-RYUDHWBXSA-N 2 2 317.355 3.012 20 0 DGADLP C[C@@H]1C[NH+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@@H](C)O1 ZINC000080767708 400989138 /nfs/dbraw/zinc/98/91/38/400989138.db2.gz LGQVEIMSUOHCFX-VXGBXAGGSA-N 2 2 317.355 3.012 20 0 DGADLP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974441 401009523 /nfs/dbraw/zinc/00/95/23/401009523.db2.gz JBAHDESPAHXFCJ-HNNXBMFYSA-N 2 2 323.400 3.148 20 0 DGADLP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974441 401009531 /nfs/dbraw/zinc/00/95/31/401009531.db2.gz JBAHDESPAHXFCJ-HNNXBMFYSA-N 2 2 323.400 3.148 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288019 401011918 /nfs/dbraw/zinc/01/19/18/401011918.db2.gz OCDRBSOUTUHGBD-JKSUJKDBSA-N 2 2 321.465 3.276 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288019 401011920 /nfs/dbraw/zinc/01/19/20/401011920.db2.gz OCDRBSOUTUHGBD-JKSUJKDBSA-N 2 2 321.465 3.276 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C[NH2+]1 ZINC000629536674 400965050 /nfs/dbraw/zinc/96/50/50/400965050.db2.gz IKTYQFCVDHBBEC-RIEGTJTDSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C[NH2+]1 ZINC000629536760 400965214 /nfs/dbraw/zinc/96/52/14/400965214.db2.gz HMYVELNQEZXEBW-UEKVPHQBSA-N 2 2 309.251 3.167 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000358191359 285994023 /nfs/dbraw/zinc/99/40/23/285994023.db2.gz OYRBFCLXDNWPKC-KRWDZBQOSA-N 2 2 308.441 3.366 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)s1 ZINC000629540149 400967137 /nfs/dbraw/zinc/96/71/37/400967137.db2.gz UMWFWDUJYVBUHD-BBBLOLIVSA-N 2 2 303.269 3.302 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555761 400972870 /nfs/dbraw/zinc/97/28/70/400972870.db2.gz CIRRHEIIWVEJEL-ISTRZQFTSA-N 2 2 308.853 3.074 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555764 400973804 /nfs/dbraw/zinc/97/38/04/400973804.db2.gz CIRRHEIIWVEJEL-YLQAJVPDSA-N 2 2 308.853 3.074 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCCc4cccc(C[NH3+])c43)cn2c1 ZINC000629558982 400975695 /nfs/dbraw/zinc/97/56/95/400975695.db2.gz BRPUBXRILLNIAI-UHFFFAOYSA-N 2 2 306.413 3.054 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561906 400976981 /nfs/dbraw/zinc/97/69/81/400976981.db2.gz LIQBMPBTAAIMJF-MPKXVKKWSA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561906 400976987 /nfs/dbraw/zinc/97/69/87/400976987.db2.gz LIQBMPBTAAIMJF-MPKXVKKWSA-N 2 2 304.331 3.346 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562685 400978250 /nfs/dbraw/zinc/97/82/50/400978250.db2.gz CHVHOORRSCPAAW-WCQYABFASA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562685 400978257 /nfs/dbraw/zinc/97/82/57/400978257.db2.gz CHVHOORRSCPAAW-WCQYABFASA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629567704 400979925 /nfs/dbraw/zinc/97/99/25/400979925.db2.gz QDOBOEAWWNNMRX-YPMHNXCESA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629567704 400979929 /nfs/dbraw/zinc/97/99/29/400979929.db2.gz QDOBOEAWWNNMRX-YPMHNXCESA-N 2 2 306.759 3.299 20 0 DGADLP C[NH+](C)Cc1cccc(-c2ccc(N3CCSCC3)[nH+]c2)c1 ZINC000629707250 401051832 /nfs/dbraw/zinc/05/18/32/401051832.db2.gz RCKBCLCQXJCWIN-UHFFFAOYSA-N 2 2 313.470 3.363 20 0 DGADLP CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000599499750 401061048 /nfs/dbraw/zinc/06/10/48/401061048.db2.gz LODHAMSFKNGNRU-GOSISDBHSA-N 2 2 310.482 3.059 20 0 DGADLP CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000599499750 401061050 /nfs/dbraw/zinc/06/10/50/401061050.db2.gz LODHAMSFKNGNRU-GOSISDBHSA-N 2 2 310.482 3.059 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000599385804 401040009 /nfs/dbraw/zinc/04/00/09/401040009.db2.gz NQPLXMLLJYQPNY-CVEARBPZSA-N 2 2 312.498 3.159 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000599385804 401040013 /nfs/dbraw/zinc/04/00/13/401040013.db2.gz NQPLXMLLJYQPNY-CVEARBPZSA-N 2 2 312.498 3.159 20 0 DGADLP Clc1cncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268942 401146392 /nfs/dbraw/zinc/14/63/92/401146392.db2.gz DHIRIOZZDKQRAG-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268942 401146400 /nfs/dbraw/zinc/14/64/00/401146400.db2.gz DHIRIOZZDKQRAG-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621268942 401146408 /nfs/dbraw/zinc/14/64/08/401146408.db2.gz DHIRIOZZDKQRAG-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621268942 401146411 /nfs/dbraw/zinc/14/64/11/401146411.db2.gz DHIRIOZZDKQRAG-WMLDXEAASA-N 2 2 305.853 3.184 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279845 286003830 /nfs/dbraw/zinc/00/38/30/286003830.db2.gz XDMJSKJKLPNZIS-RYQLBKOJSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279845 286003832 /nfs/dbraw/zinc/00/38/32/286003832.db2.gz XDMJSKJKLPNZIS-RYQLBKOJSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279845 286003834 /nfs/dbraw/zinc/00/38/34/286003834.db2.gz XDMJSKJKLPNZIS-RYQLBKOJSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279845 286003835 /nfs/dbraw/zinc/00/38/35/286003835.db2.gz XDMJSKJKLPNZIS-RYQLBKOJSA-N 2 2 322.880 3.444 20 0 DGADLP Fc1ccc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1F ZINC000625656858 401177152 /nfs/dbraw/zinc/17/71/52/401177152.db2.gz QGFHZZJSWHIQKK-HNNXBMFYSA-N 2 2 305.372 3.431 20 0 DGADLP Fc1ccc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1F ZINC000625656858 401177158 /nfs/dbraw/zinc/17/71/58/401177158.db2.gz QGFHZZJSWHIQKK-HNNXBMFYSA-N 2 2 305.372 3.431 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[C@@H](C)C1 ZINC000358319149 286030687 /nfs/dbraw/zinc/03/06/87/286030687.db2.gz NPUAXBLRLHULGM-RCBQFDQVSA-N 2 2 306.425 3.358 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)[C@@H](C)C1 ZINC000358319149 286030688 /nfs/dbraw/zinc/03/06/88/286030688.db2.gz NPUAXBLRLHULGM-RCBQFDQVSA-N 2 2 306.425 3.358 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCOC1 ZINC000358342688 286036722 /nfs/dbraw/zinc/03/67/22/286036722.db2.gz QKJUJAZTLAGOAK-WDYCEAGBSA-N 2 2 317.477 3.012 20 0 DGADLP CCC(CC)[C@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)OC ZINC000358342621 286036759 /nfs/dbraw/zinc/03/67/59/286036759.db2.gz FUJVZFDZCFAKEB-SFHVURJKSA-N 2 2 319.493 3.481 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1F ZINC000090525172 401267608 /nfs/dbraw/zinc/26/76/08/401267608.db2.gz METGEKOOVIMOFL-JVPBZIDWSA-N 2 2 320.452 3.244 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000090667185 401271521 /nfs/dbraw/zinc/27/15/21/401271521.db2.gz XFKVWGAJCYOWMX-CVEARBPZSA-N 2 2 317.477 3.012 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000621716028 401282055 /nfs/dbraw/zinc/28/20/55/401282055.db2.gz OZSGKJLMHRPXBN-APWZRJJASA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000621716028 401282057 /nfs/dbraw/zinc/28/20/57/401282057.db2.gz OZSGKJLMHRPXBN-APWZRJJASA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000621716028 401282060 /nfs/dbraw/zinc/28/20/60/401282060.db2.gz OZSGKJLMHRPXBN-APWZRJJASA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000621716028 401282062 /nfs/dbraw/zinc/28/20/62/401282062.db2.gz OZSGKJLMHRPXBN-APWZRJJASA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000089603481 401229831 /nfs/dbraw/zinc/22/98/31/401229831.db2.gz IECVODBIDKLKPZ-KRWDZBQOSA-N 2 2 311.429 3.208 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc(C)c1F ZINC000090047133 401249594 /nfs/dbraw/zinc/24/95/94/401249594.db2.gz XIBLMCLCXAMDKX-CVEARBPZSA-N 2 2 308.441 3.204 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000634679809 401331942 /nfs/dbraw/zinc/33/19/42/401331942.db2.gz DLNIDTGXPHUOIM-IAGOWNOFSA-N 2 2 313.445 3.251 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000634679377 401331975 /nfs/dbraw/zinc/33/19/75/401331975.db2.gz SMVYAFJIINDIAN-GOSISDBHSA-N 2 2 316.489 3.371 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCOC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000634679377 401331978 /nfs/dbraw/zinc/33/19/78/401331978.db2.gz SMVYAFJIINDIAN-GOSISDBHSA-N 2 2 316.489 3.371 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634681079 401332325 /nfs/dbraw/zinc/33/23/25/401332325.db2.gz INAWKNCSPSKLEE-MAUKXSAKSA-N 2 2 317.477 3.154 20 0 DGADLP CCc1nnc([C@H](C)[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000626062440 401291647 /nfs/dbraw/zinc/29/16/47/401291647.db2.gz SGFLFIROQZBSNN-AWEZNQCLSA-N 2 2 316.449 3.277 20 0 DGADLP CCc1nnc([C@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000626062440 401291651 /nfs/dbraw/zinc/29/16/51/401291651.db2.gz SGFLFIROQZBSNN-AWEZNQCLSA-N 2 2 316.449 3.277 20 0 DGADLP CCC(O)(CC)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000626111343 401302905 /nfs/dbraw/zinc/30/29/05/401302905.db2.gz LJSMHYKVTPSGGF-UHFFFAOYSA-N 2 2 301.434 3.164 20 0 DGADLP CCC(O)(CC)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000626111343 401302907 /nfs/dbraw/zinc/30/29/07/401302907.db2.gz LJSMHYKVTPSGGF-UHFFFAOYSA-N 2 2 301.434 3.164 20 0 DGADLP CC[NH+](CC)C[C@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631135508 401404525 /nfs/dbraw/zinc/40/45/25/401404525.db2.gz NIURIUCKJIVYIB-CYBMUJFWSA-N 2 2 313.449 3.003 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631195079 401422467 /nfs/dbraw/zinc/42/24/67/401422467.db2.gz BBGCIMBPCXIRDW-RHSMWYFYSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631195079 401422469 /nfs/dbraw/zinc/42/24/69/401422469.db2.gz BBGCIMBPCXIRDW-RHSMWYFYSA-N 2 2 315.486 3.309 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccncc1F ZINC000631194814 401422707 /nfs/dbraw/zinc/42/27/07/401422707.db2.gz PNMNWUAEUOLAID-YJBOKZPZSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccncc1F ZINC000631194814 401422710 /nfs/dbraw/zinc/42/27/10/401422710.db2.gz PNMNWUAEUOLAID-YJBOKZPZSA-N 2 2 313.420 3.078 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ncccc43)CC2)nc1 ZINC000631568638 401500525 /nfs/dbraw/zinc/50/05/25/401500525.db2.gz BCCRCHOBXJVTGW-HXUWFJFHSA-N 2 2 322.456 3.108 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1OC ZINC000631590531 401508148 /nfs/dbraw/zinc/50/81/48/401508148.db2.gz PNFWPTRTMGNCPK-JQFCIGGWSA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1OC ZINC000631590531 401508149 /nfs/dbraw/zinc/50/81/49/401508149.db2.gz PNFWPTRTMGNCPK-JQFCIGGWSA-N 2 2 318.461 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403296 401509456 /nfs/dbraw/zinc/50/94/56/401509456.db2.gz QYBDCMXTTILZIA-QAPCUYQASA-N 2 2 320.440 3.488 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403296 401509460 /nfs/dbraw/zinc/50/94/60/401509460.db2.gz QYBDCMXTTILZIA-QAPCUYQASA-N 2 2 320.440 3.488 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000631662288 401528420 /nfs/dbraw/zinc/52/84/20/401528420.db2.gz DOUQGBVPPJWLDH-ZVZYQTTQSA-N 2 2 313.445 3.402 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000631662288 401528421 /nfs/dbraw/zinc/52/84/21/401528421.db2.gz DOUQGBVPPJWLDH-ZVZYQTTQSA-N 2 2 313.445 3.402 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000623657817 401564396 /nfs/dbraw/zinc/56/43/96/401564396.db2.gz ZQFUYLRTVASQOD-QGZVFWFLSA-N 2 2 313.445 3.087 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000623657817 401564399 /nfs/dbraw/zinc/56/43/99/401564399.db2.gz ZQFUYLRTVASQOD-QGZVFWFLSA-N 2 2 313.445 3.087 20 0 DGADLP Cc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328738 401577381 /nfs/dbraw/zinc/57/73/81/401577381.db2.gz UKTSFURPUFMGHC-QUCCMNQESA-N 2 2 316.489 3.285 20 0 DGADLP Cc1ccc([C@H](C)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328738 401577383 /nfs/dbraw/zinc/57/73/83/401577383.db2.gz UKTSFURPUFMGHC-QUCCMNQESA-N 2 2 316.489 3.285 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@@H+]1C1CC1 ZINC000623784674 401579212 /nfs/dbraw/zinc/57/92/12/401579212.db2.gz FADDSCHEOPVMPO-CRAIPNDOSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@H+]1C1CC1 ZINC000623784674 401579213 /nfs/dbraw/zinc/57/92/13/401579213.db2.gz FADDSCHEOPVMPO-CRAIPNDOSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(F)c(Br)cc1F ZINC000623849618 401587254 /nfs/dbraw/zinc/58/72/54/401587254.db2.gz KQOPYGHHUMAFRG-VIFPVBQESA-N 2 2 321.209 3.330 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000628182785 401544273 /nfs/dbraw/zinc/54/42/73/401544273.db2.gz IFCBAMVOFMOIQG-OAHLLOKOSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000628182785 401544274 /nfs/dbraw/zinc/54/42/74/401544274.db2.gz IFCBAMVOFMOIQG-OAHLLOKOSA-N 2 2 312.461 3.123 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1cnc2ccccc2n1)C(C)C ZINC000628227480 401553779 /nfs/dbraw/zinc/55/37/79/401553779.db2.gz HZPKVPSOPOTLFX-UHFFFAOYSA-N 2 2 300.450 3.228 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858751 401561478 /nfs/dbraw/zinc/56/14/78/401561478.db2.gz CZHQTNXKOKERRA-RDJZCZTQSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858751 401561481 /nfs/dbraw/zinc/56/14/81/401561481.db2.gz CZHQTNXKOKERRA-RDJZCZTQSA-N 2 2 323.440 3.104 20 0 DGADLP CCCCn1cc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)c(C)n1 ZINC000358513110 286081276 /nfs/dbraw/zinc/08/12/76/286081276.db2.gz VVXDPTIDERSWAA-UHFFFAOYSA-N 2 2 311.433 3.238 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000358994047 286209045 /nfs/dbraw/zinc/20/90/45/286209045.db2.gz BGIHXAUYHATINY-DYVFJYSZSA-N 2 2 305.372 3.463 20 0 DGADLP CCn1c2ccccc2[nH+]c1NCc1c(C)[nH+]c2ccccn21 ZINC000359037836 286220989 /nfs/dbraw/zinc/22/09/89/286220989.db2.gz BRXFOXZGCPGVFG-UHFFFAOYSA-N 2 2 305.385 3.046 20 0 DGADLP FC(F)(F)Cn1cc[nH+]c1CNc1cc2c(c[nH+]1)CCCC2 ZINC000359469323 286314949 /nfs/dbraw/zinc/31/49/49/286314949.db2.gz GOYCPEFURDUAOK-UHFFFAOYSA-N 2 2 310.323 3.331 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000359519542 286325274 /nfs/dbraw/zinc/32/52/74/286325274.db2.gz BAAZXTMGOANOJB-GOEBONIOSA-N 2 2 308.491 3.072 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccs1 ZINC000359582232 286341364 /nfs/dbraw/zinc/34/13/64/286341364.db2.gz DEGWFSJEKWZYMF-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP c1cn(CCCC2CC[NH+](CCCc3ccncc3)CC2)c[nH+]1 ZINC000360623172 286509397 /nfs/dbraw/zinc/50/93/97/286509397.db2.gz VQMZOILQGUYYNU-UHFFFAOYSA-N 2 2 312.461 3.403 20 0 DGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415076359 286516475 /nfs/dbraw/zinc/51/64/75/286516475.db2.gz AWKKLDSDBDTAPH-OXJNMPFZSA-N 2 2 310.441 3.374 20 0 DGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361968359 286752399 /nfs/dbraw/zinc/75/23/99/286752399.db2.gz PAQLXLVCEWQUNZ-DQYPLSBCSA-N 2 2 308.466 3.086 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCC(F)(F)F)cc1 ZINC000268839123 287038225 /nfs/dbraw/zinc/03/82/25/287038225.db2.gz YZPOEIBGRYERJD-TZMCWYRMSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCC(F)(F)F)cc1 ZINC000268839123 287038229 /nfs/dbraw/zinc/03/82/29/287038229.db2.gz YZPOEIBGRYERJD-TZMCWYRMSA-N 2 2 316.367 3.373 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701797 287054076 /nfs/dbraw/zinc/05/40/76/287054076.db2.gz XZLASHQORUAERT-QXAKKESOSA-N 2 2 316.493 3.234 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701797 287054078 /nfs/dbraw/zinc/05/40/78/287054078.db2.gz XZLASHQORUAERT-QXAKKESOSA-N 2 2 316.493 3.234 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701797 287054080 /nfs/dbraw/zinc/05/40/80/287054080.db2.gz XZLASHQORUAERT-QXAKKESOSA-N 2 2 316.493 3.234 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701797 287054082 /nfs/dbraw/zinc/05/40/82/287054082.db2.gz XZLASHQORUAERT-QXAKKESOSA-N 2 2 316.493 3.234 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000091367803 287068257 /nfs/dbraw/zinc/06/82/57/287068257.db2.gz VENBTFQHIOCENT-ILXRZTDVSA-N 2 2 300.450 3.097 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C12CCC2 ZINC000172685873 164664877 /nfs/dbraw/zinc/66/48/77/164664877.db2.gz WQVJIYYWIRLPOB-QZTJIDSGSA-N 2 2 313.445 3.282 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000179965211 164871359 /nfs/dbraw/zinc/87/13/59/164871359.db2.gz PMWTXAVTKWQOPO-UHFFFAOYSA-N 2 2 318.490 3.111 20 0 DGADLP CSCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000186776948 165058222 /nfs/dbraw/zinc/05/82/22/165058222.db2.gz CZNDBHWTMNLHQT-AEFFLSMTSA-N 2 2 321.534 3.415 20 0 DGADLP CSCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000186776948 165058225 /nfs/dbraw/zinc/05/82/25/165058225.db2.gz CZNDBHWTMNLHQT-AEFFLSMTSA-N 2 2 321.534 3.415 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187013598 165072794 /nfs/dbraw/zinc/07/27/94/165072794.db2.gz CNEAXIUEQADYPV-CQSZACIVSA-N 2 2 322.503 3.218 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187013598 165072797 /nfs/dbraw/zinc/07/27/97/165072797.db2.gz CNEAXIUEQADYPV-CQSZACIVSA-N 2 2 322.503 3.218 20 0 DGADLP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000188813835 165138028 /nfs/dbraw/zinc/13/80/28/165138028.db2.gz CVJDWWWRIVUXRH-IRXDYDNUSA-N 2 2 322.880 3.462 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1C ZINC000194590187 165350113 /nfs/dbraw/zinc/35/01/13/165350113.db2.gz VPTKVVCBGKTVHJ-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1C ZINC000194590187 165350117 /nfs/dbraw/zinc/35/01/17/165350117.db2.gz VPTKVVCBGKTVHJ-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1sccc1Cl ZINC000365520353 287141333 /nfs/dbraw/zinc/14/13/33/287141333.db2.gz YPFFCVLIGVNCQD-XBFCOCLRSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1sccc1Cl ZINC000365520353 287141336 /nfs/dbraw/zinc/14/13/36/287141336.db2.gz YPFFCVLIGVNCQD-XBFCOCLRSA-N 2 2 314.882 3.085 20 0 DGADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053720 196015528 /nfs/dbraw/zinc/01/55/28/196015528.db2.gz FMQDNTSJLPJTQG-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053720 196015530 /nfs/dbraw/zinc/01/55/30/196015530.db2.gz FMQDNTSJLPJTQG-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053720 196015532 /nfs/dbraw/zinc/01/55/32/196015532.db2.gz FMQDNTSJLPJTQG-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053720 196015534 /nfs/dbraw/zinc/01/55/34/196015534.db2.gz FMQDNTSJLPJTQG-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000269051050 432151908 /nfs/dbraw/zinc/15/19/08/432151908.db2.gz IJLSEVAUJMQOKU-KMFMINBZSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000269051050 432151912 /nfs/dbraw/zinc/15/19/12/432151912.db2.gz IJLSEVAUJMQOKU-KMFMINBZSA-N 2 2 318.461 3.370 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000136292097 432152296 /nfs/dbraw/zinc/15/22/96/432152296.db2.gz NEIZUGXDBASKDD-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246752524 432160371 /nfs/dbraw/zinc/16/03/71/432160371.db2.gz HHHLZBFYFFLBTI-OLZOCXBDSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246752524 432160373 /nfs/dbraw/zinc/16/03/73/432160373.db2.gz HHHLZBFYFFLBTI-OLZOCXBDSA-N 2 2 311.267 3.394 20 0 DGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182094355 432157731 /nfs/dbraw/zinc/15/77/31/432157731.db2.gz DNRSZJKGSCVBCT-KRWDZBQOSA-N 2 2 313.445 3.274 20 0 DGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182094355 432157737 /nfs/dbraw/zinc/15/77/37/432157737.db2.gz DNRSZJKGSCVBCT-KRWDZBQOSA-N 2 2 313.445 3.274 20 0 DGADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182090119 432159269 /nfs/dbraw/zinc/15/92/69/432159269.db2.gz XRJOHTGXDRHCBS-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182090119 432159270 /nfs/dbraw/zinc/15/92/70/432159270.db2.gz XRJOHTGXDRHCBS-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000129541411 196056092 /nfs/dbraw/zinc/05/60/92/196056092.db2.gz XOEKOGSVSHYQPM-YGRLFVJLSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000129541411 196056094 /nfs/dbraw/zinc/05/60/94/196056094.db2.gz XOEKOGSVSHYQPM-YGRLFVJLSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129558403 196057839 /nfs/dbraw/zinc/05/78/39/196057839.db2.gz FYASEDDCIVJKKG-GUYCJALGSA-N 2 2 305.372 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129558403 196057841 /nfs/dbraw/zinc/05/78/41/196057841.db2.gz FYASEDDCIVJKKG-GUYCJALGSA-N 2 2 305.372 3.287 20 0 DGADLP Clc1cnccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246810017 432167813 /nfs/dbraw/zinc/16/78/13/432167813.db2.gz NHBMEYFYWDJMJD-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246810017 432167814 /nfs/dbraw/zinc/16/78/14/432167814.db2.gz NHBMEYFYWDJMJD-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246810017 432167819 /nfs/dbraw/zinc/16/78/19/432167819.db2.gz NHBMEYFYWDJMJD-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246810017 432167821 /nfs/dbraw/zinc/16/78/21/432167821.db2.gz NHBMEYFYWDJMJD-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1Br ZINC000137090379 432169213 /nfs/dbraw/zinc/16/92/13/432169213.db2.gz YJIKKXAAEOGFHS-UHFFFAOYSA-N 2 2 317.658 3.288 20 0 DGADLP C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246977670 432186894 /nfs/dbraw/zinc/18/68/94/432186894.db2.gz JMIHBRSPBHPYCD-DLBZAZTESA-N 2 2 312.461 3.255 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000172013378 432190540 /nfs/dbraw/zinc/19/05/40/432190540.db2.gz DCNJRAIOYVPNSA-NVXWUHKLSA-N 2 2 300.450 3.154 20 0 DGADLP Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc(C(C)C)[nH+]1 ZINC000150782521 432192090 /nfs/dbraw/zinc/19/20/90/432192090.db2.gz HPDRSJXVUZLWKO-UHFFFAOYSA-N 2 2 313.449 3.101 20 0 DGADLP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000182524706 432198710 /nfs/dbraw/zinc/19/87/10/432198710.db2.gz JXOVQZSCBDEGBR-IAGOWNOFSA-N 2 2 322.880 3.053 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000247073315 432199840 /nfs/dbraw/zinc/19/98/40/432199840.db2.gz OJNUAFKQJBBQLC-WJFTUGDTSA-N 3 2 309.542 3.061 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000247073315 432199843 /nfs/dbraw/zinc/19/98/43/432199843.db2.gz OJNUAFKQJBBQLC-WJFTUGDTSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715857 432201293 /nfs/dbraw/zinc/20/12/93/432201293.db2.gz VYPAQOPSVKLROQ-MBNYWOFBSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715857 432201294 /nfs/dbraw/zinc/20/12/94/432201294.db2.gz VYPAQOPSVKLROQ-MBNYWOFBSA-N 2 2 320.868 3.045 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000130721293 196104055 /nfs/dbraw/zinc/10/40/55/196104055.db2.gz ZCOMSMXAXRRKSX-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000130721293 196104056 /nfs/dbraw/zinc/10/40/56/196104056.db2.gz ZCOMSMXAXRRKSX-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131239844 196152861 /nfs/dbraw/zinc/15/28/61/196152861.db2.gz MHZMMQZENJPUBV-QGZVFWFLSA-N 2 2 313.445 3.274 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131239844 196152862 /nfs/dbraw/zinc/15/28/62/196152862.db2.gz MHZMMQZENJPUBV-QGZVFWFLSA-N 2 2 313.445 3.274 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000269850545 432215375 /nfs/dbraw/zinc/21/53/75/432215375.db2.gz XOGVURSUXVZFCL-TZMCWYRMSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000269850545 432215379 /nfs/dbraw/zinc/21/53/79/432215379.db2.gz XOGVURSUXVZFCL-TZMCWYRMSA-N 2 2 320.868 3.047 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471110 196171980 /nfs/dbraw/zinc/17/19/80/196171980.db2.gz IKUBPFKMNSJEHE-VXGBXAGGSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471110 196171982 /nfs/dbraw/zinc/17/19/82/196171982.db2.gz IKUBPFKMNSJEHE-VXGBXAGGSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1nc2ccccc2n1C ZINC000271631957 209077519 /nfs/dbraw/zinc/07/75/19/209077519.db2.gz CVRJXNMRCRAMAS-CQSZACIVSA-N 2 2 312.461 3.241 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000247315486 432221433 /nfs/dbraw/zinc/22/14/33/432221433.db2.gz FWWRXNIPTLIKCQ-MELADBBJSA-N 2 2 303.410 3.034 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000247315486 432221440 /nfs/dbraw/zinc/22/14/40/432221440.db2.gz FWWRXNIPTLIKCQ-MELADBBJSA-N 2 2 303.410 3.034 20 0 DGADLP COc1ncccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151153331 432222932 /nfs/dbraw/zinc/22/29/32/432222932.db2.gz HBRPAGPNDBWCIE-CQSZACIVSA-N 2 2 322.412 3.435 20 0 DGADLP Brc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131676385 196189918 /nfs/dbraw/zinc/18/99/18/196189918.db2.gz DJEDCJNDHKVTFN-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccccc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131676385 196189920 /nfs/dbraw/zinc/18/99/20/196189920.db2.gz DJEDCJNDHKVTFN-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Fc1ccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131732940 196194836 /nfs/dbraw/zinc/19/48/36/196194836.db2.gz LZMINEXXCPAJSH-OAHLLOKOSA-N 2 2 304.340 3.056 20 0 DGADLP Fc1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131732940 196194837 /nfs/dbraw/zinc/19/48/37/196194837.db2.gz LZMINEXXCPAJSH-OAHLLOKOSA-N 2 2 304.340 3.056 20 0 DGADLP Fc1ccc(SCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131890279 196208215 /nfs/dbraw/zinc/20/82/15/196208215.db2.gz PFWLEWONGBDWLM-INIZCTEOSA-N 2 2 318.417 3.466 20 0 DGADLP Fc1ccc(SCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131890279 196208217 /nfs/dbraw/zinc/20/82/17/196208217.db2.gz PFWLEWONGBDWLM-INIZCTEOSA-N 2 2 318.417 3.466 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000132982891 196302258 /nfs/dbraw/zinc/30/22/58/196302258.db2.gz SSFVAORPEWTHET-SNVBAGLBSA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000132982891 196302259 /nfs/dbraw/zinc/30/22/59/196302259.db2.gz SSFVAORPEWTHET-SNVBAGLBSA-N 2 2 317.658 3.273 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1SC ZINC000150800332 196587322 /nfs/dbraw/zinc/58/73/22/196587322.db2.gz KURULXKSIOWLIH-MRXNPFEDSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1SC ZINC000150800332 196587323 /nfs/dbraw/zinc/58/73/23/196587323.db2.gz KURULXKSIOWLIH-MRXNPFEDSA-N 2 2 320.502 3.335 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295925843 225385714 /nfs/dbraw/zinc/38/57/14/225385714.db2.gz FINUDRALHJXWRM-QRQLOZEOSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000295925843 225385719 /nfs/dbraw/zinc/38/57/19/225385719.db2.gz FINUDRALHJXWRM-QRQLOZEOSA-N 2 2 314.473 3.341 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000291081575 222122904 /nfs/dbraw/zinc/12/29/04/222122904.db2.gz NQVMZQREASIDNL-SJORKVTESA-N 2 2 303.450 3.089 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000291081575 222122905 /nfs/dbraw/zinc/12/29/05/222122905.db2.gz NQVMZQREASIDNL-SJORKVTESA-N 2 2 303.450 3.089 20 0 DGADLP CCC[C@H](C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1)[NH+](C)C ZINC000291300684 222297310 /nfs/dbraw/zinc/29/73/10/222297310.db2.gz WRFIKHGZKOVTLQ-QGZVFWFLSA-N 2 2 314.433 3.158 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000345146547 292624335 /nfs/dbraw/zinc/62/43/35/292624335.db2.gz BFWUFDZCUAGQCG-MJGOQNOKSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1cccn2cc(CC[NH2+]C3CCC4(CCCO4)CC3)[nH+]c12 ZINC000682642106 549348582 /nfs/dbraw/zinc/34/85/82/549348582.db2.gz DSPNXOVHLWYBLF-UHFFFAOYSA-N 2 2 313.445 3.267 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000346304083 264005606 /nfs/dbraw/zinc/00/56/06/264005606.db2.gz GUUSOXPXRDKLOB-UHFFFAOYSA-N 2 2 301.409 3.285 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOCC(F)F ZINC000346479153 264039693 /nfs/dbraw/zinc/03/96/93/264039693.db2.gz GCBTUJWZRLSFDB-CQSZACIVSA-N 2 2 323.387 3.091 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOCC(F)F ZINC000346479153 264039695 /nfs/dbraw/zinc/03/96/95/264039695.db2.gz GCBTUJWZRLSFDB-CQSZACIVSA-N 2 2 323.387 3.091 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346495010 264042290 /nfs/dbraw/zinc/04/22/90/264042290.db2.gz JDVUKUAWJMBVQO-KRWDZBQOSA-N 2 2 318.804 3.267 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346495010 264042293 /nfs/dbraw/zinc/04/22/93/264042293.db2.gz JDVUKUAWJMBVQO-KRWDZBQOSA-N 2 2 318.804 3.267 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000346517077 264045100 /nfs/dbraw/zinc/04/51/00/264045100.db2.gz DFZOYDYVVZJUNJ-YRWFTTLQSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000346517077 264045102 /nfs/dbraw/zinc/04/51/02/264045102.db2.gz DFZOYDYVVZJUNJ-YRWFTTLQSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCOCC1 ZINC000346590336 264060286 /nfs/dbraw/zinc/06/02/86/264060286.db2.gz HJWRKFLYSMBKNN-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCOCC1 ZINC000346590336 264060289 /nfs/dbraw/zinc/06/02/89/264060289.db2.gz HJWRKFLYSMBKNN-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346696460 264081538 /nfs/dbraw/zinc/08/15/38/264081538.db2.gz QCGDTQDMFFSDAK-UWVAXJGDSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346696460 264081540 /nfs/dbraw/zinc/08/15/40/264081540.db2.gz QCGDTQDMFFSDAK-UWVAXJGDSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000346801783 264100637 /nfs/dbraw/zinc/10/06/37/264100637.db2.gz CKOHQQKFYBZVRW-NJAFHUGGSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000346801783 264100639 /nfs/dbraw/zinc/10/06/39/264100639.db2.gz CKOHQQKFYBZVRW-NJAFHUGGSA-N 2 2 319.518 3.167 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000346831784 264105275 /nfs/dbraw/zinc/10/52/75/264105275.db2.gz QTKRFUCRKAIFDU-VQTJNVASSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000346831784 264105277 /nfs/dbraw/zinc/10/52/77/264105277.db2.gz QTKRFUCRKAIFDU-VQTJNVASSA-N 2 2 310.441 3.292 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346843581 264107698 /nfs/dbraw/zinc/10/76/98/264107698.db2.gz KHTYCCKTYULQLA-WFBYXXMGSA-N 2 2 315.244 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346843581 264107699 /nfs/dbraw/zinc/10/76/99/264107699.db2.gz KHTYCCKTYULQLA-WFBYXXMGSA-N 2 2 315.244 3.171 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]21 ZINC000346849963 264109048 /nfs/dbraw/zinc/10/90/48/264109048.db2.gz GWDOKYDQZVMLAD-VZJVUDMVSA-N 2 2 316.342 3.404 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]21 ZINC000346849963 264109051 /nfs/dbraw/zinc/10/90/51/264109051.db2.gz GWDOKYDQZVMLAD-VZJVUDMVSA-N 2 2 316.342 3.404 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CCCC1 ZINC000346948783 264126057 /nfs/dbraw/zinc/12/60/57/264126057.db2.gz ABRIKWPFJHLDHG-WMLDXEAASA-N 2 2 302.466 3.213 20 0 DGADLP Clc1ccc([C@H]2CSCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346962955 264128205 /nfs/dbraw/zinc/12/82/05/264128205.db2.gz AFSMBHMTDNEOQE-XJKSGUPXSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1ccc([C@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346962955 264128207 /nfs/dbraw/zinc/12/82/07/264128207.db2.gz AFSMBHMTDNEOQE-XJKSGUPXSA-N 2 2 310.894 3.430 20 0 DGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000347058279 264148945 /nfs/dbraw/zinc/14/89/45/264148945.db2.gz WGBREGUPESAUSW-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000347058279 264148948 /nfs/dbraw/zinc/14/89/48/264148948.db2.gz WGBREGUPESAUSW-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)o1 ZINC000347064471 264149650 /nfs/dbraw/zinc/14/96/50/264149650.db2.gz KIFLFIARUMSESD-PBWFPOADSA-N 2 2 317.458 3.426 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)o1 ZINC000347064471 264149652 /nfs/dbraw/zinc/14/96/52/264149652.db2.gz KIFLFIARUMSESD-PBWFPOADSA-N 2 2 317.458 3.426 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@H]1C[NH3+] ZINC000347123305 264160379 /nfs/dbraw/zinc/16/03/79/264160379.db2.gz XBJNRWPBIALJDR-RISCZKNCSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@H]1C[NH3+] ZINC000347123305 264160380 /nfs/dbraw/zinc/16/03/80/264160380.db2.gz XBJNRWPBIALJDR-RISCZKNCSA-N 2 2 307.488 3.431 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347123593 264161485 /nfs/dbraw/zinc/16/14/85/264161485.db2.gz OXTFZOZJLKOBCK-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347123593 264161487 /nfs/dbraw/zinc/16/14/87/264161487.db2.gz OXTFZOZJLKOBCK-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145893 264164848 /nfs/dbraw/zinc/16/48/48/264164848.db2.gz YNGYEZFXGQEZJI-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145893 264164849 /nfs/dbraw/zinc/16/48/49/264164849.db2.gz YNGYEZFXGQEZJI-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP c1cn(-c2csc(CN3CC[NH2+]CC34CCCCC4)c2)c[nH+]1 ZINC000347162000 264166889 /nfs/dbraw/zinc/16/68/89/264166889.db2.gz ICCJLFASQXRHEN-UHFFFAOYSA-N 2 2 316.474 3.042 20 0 DGADLP CC(C)COC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000347609870 264251493 /nfs/dbraw/zinc/25/14/93/264251493.db2.gz DJSBSATXCRINSR-SJORKVTESA-N 2 2 308.466 3.457 20 0 DGADLP CC(C)COC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000347609870 264251494 /nfs/dbraw/zinc/25/14/94/264251494.db2.gz DJSBSATXCRINSR-SJORKVTESA-N 2 2 308.466 3.457 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(C)c(O)c(C)c3)CC2)c1 ZINC000347633110 264255922 /nfs/dbraw/zinc/25/59/22/264255922.db2.gz CEQRKPPHQYUVSQ-UHFFFAOYSA-N 2 2 311.429 3.035 20 0 DGADLP Cc1cccc(OCC[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347654104 264261220 /nfs/dbraw/zinc/26/12/20/264261220.db2.gz GBOYATNEVAAGAH-UHFFFAOYSA-N 2 2 319.474 3.024 20 0 DGADLP Cc1cccc(OCC[N@H+](C)Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347654104 264261221 /nfs/dbraw/zinc/26/12/21/264261221.db2.gz GBOYATNEVAAGAH-UHFFFAOYSA-N 2 2 319.474 3.024 20 0 DGADLP Cc1ccccc1OCC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347670583 264264039 /nfs/dbraw/zinc/26/40/39/264264039.db2.gz KVEYRVHCMSOKKG-UHFFFAOYSA-N 2 2 319.474 3.024 20 0 DGADLP Cc1ccccc1OCC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347670583 264264042 /nfs/dbraw/zinc/26/40/42/264264042.db2.gz KVEYRVHCMSOKKG-UHFFFAOYSA-N 2 2 319.474 3.024 20 0 DGADLP CCOc1ccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347690331 264268538 /nfs/dbraw/zinc/26/85/38/264268538.db2.gz YQTRKLNGRXMVMS-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP CCOc1ccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347690331 264268539 /nfs/dbraw/zinc/26/85/39/264268539.db2.gz YQTRKLNGRXMVMS-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP Cc1cc2cc(C[NH2+][C@@H](C)CC[NH+]3CCOCC3)oc2cc1C ZINC000347777297 264283079 /nfs/dbraw/zinc/28/30/79/264283079.db2.gz MDXSSLRMBUNYOE-INIZCTEOSA-N 2 2 316.445 3.250 20 0 DGADLP CS[C@H]1CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@@H]1[NH+](C)C ZINC000347784843 264283989 /nfs/dbraw/zinc/28/39/89/264283989.db2.gz MJDFRRHSLPKHNG-GJZGRUSLSA-N 2 2 322.522 3.205 20 0 DGADLP CCOc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)n1 ZINC000347835026 264292009 /nfs/dbraw/zinc/29/20/09/264292009.db2.gz PVRBUMBUYFLGLA-UHFFFAOYSA-N 2 2 324.428 3.089 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000347944045 264310674 /nfs/dbraw/zinc/31/06/74/264310674.db2.gz PJUGNOMHNDOHGI-UHFFFAOYSA-N 2 2 320.440 3.341 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000348086040 264336243 /nfs/dbraw/zinc/33/62/43/264336243.db2.gz NRZHFVKOOASJPH-IBGZPJMESA-N 3 2 301.478 3.177 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000348086040 264336246 /nfs/dbraw/zinc/33/62/46/264336246.db2.gz NRZHFVKOOASJPH-IBGZPJMESA-N 3 2 301.478 3.177 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(F)cn1 ZINC000348083070 264336725 /nfs/dbraw/zinc/33/67/25/264336725.db2.gz KHWDPIRQAQBDCE-QLFBSQMISA-N 2 2 323.456 3.248 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(F)cn1 ZINC000348083070 264336727 /nfs/dbraw/zinc/33/67/27/264336727.db2.gz KHWDPIRQAQBDCE-QLFBSQMISA-N 2 2 323.456 3.248 20 0 DGADLP c1cnn(-c2cc[nH+]cc2NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000348134205 264349437 /nfs/dbraw/zinc/34/94/37/264349437.db2.gz GNGRQFBGAJOBKB-UHFFFAOYSA-N 2 2 316.368 3.065 20 0 DGADLP CCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173375 264357988 /nfs/dbraw/zinc/35/79/88/264357988.db2.gz IZTILXUKLMSUSS-UYAOXDASSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173375 264357991 /nfs/dbraw/zinc/35/79/91/264357991.db2.gz IZTILXUKLMSUSS-UYAOXDASSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173375 264357996 /nfs/dbraw/zinc/35/79/96/264357996.db2.gz IZTILXUKLMSUSS-UYAOXDASSA-N 2 2 324.472 3.164 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000348188007 264361014 /nfs/dbraw/zinc/36/10/14/264361014.db2.gz QWXITFXVAABVIQ-RTBURBONSA-N 2 2 313.445 3.225 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348260690 264377120 /nfs/dbraw/zinc/37/71/20/264377120.db2.gz DUIFNYQNIBOPGV-PKOBYXMFSA-N 2 2 316.489 3.269 20 0 DGADLP Cc1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000348305761 264386144 /nfs/dbraw/zinc/38/61/44/264386144.db2.gz KNYYPPXRHFBCPC-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](C)C[NH+](C)C ZINC000348323054 264389439 /nfs/dbraw/zinc/38/94/39/264389439.db2.gz CWJVCQIBTXPTJN-GHMZBOCLSA-N 2 2 317.246 3.059 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000348378981 264399431 /nfs/dbraw/zinc/39/94/31/264399431.db2.gz CBPRRVGAAJTMDX-UHFFFAOYSA-N 2 2 308.294 3.167 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000352319086 265000069 /nfs/dbraw/zinc/00/00/69/265000069.db2.gz GHSWHOJYFSAQGU-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000352467072 265059016 /nfs/dbraw/zinc/05/90/16/265059016.db2.gz IFFZZYPQQFONIF-RBFDBLARSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000352467072 265059019 /nfs/dbraw/zinc/05/90/19/265059019.db2.gz IFFZZYPQQFONIF-RBFDBLARSA-N 2 2 302.462 3.309 20 0 DGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3CC[NH3+])o2)cc1 ZINC000352487212 265067295 /nfs/dbraw/zinc/06/72/95/265067295.db2.gz BDQQRDRWSWPIKT-HNNXBMFYSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3CC[NH3+])o2)cc1 ZINC000352487212 265067299 /nfs/dbraw/zinc/06/72/99/265067299.db2.gz BDQQRDRWSWPIKT-HNNXBMFYSA-N 2 2 315.417 3.054 20 0 DGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352517690 265077804 /nfs/dbraw/zinc/07/78/04/265077804.db2.gz FOAROBSTPFKKFT-OAHLLOKOSA-N 2 2 317.477 3.126 20 0 DGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352517690 265077807 /nfs/dbraw/zinc/07/78/07/265077807.db2.gz FOAROBSTPFKKFT-OAHLLOKOSA-N 2 2 317.477 3.126 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541449 265083109 /nfs/dbraw/zinc/08/31/09/265083109.db2.gz YABHOZAXUSJMLK-OAHLLOKOSA-N 2 2 314.351 3.161 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541449 265083112 /nfs/dbraw/zinc/08/31/12/265083112.db2.gz YABHOZAXUSJMLK-OAHLLOKOSA-N 2 2 314.351 3.161 20 0 DGADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000352757115 265154603 /nfs/dbraw/zinc/15/46/03/265154603.db2.gz DOJVHXMHUNPKCC-FQEVSTJZSA-N 2 2 309.457 3.398 20 0 DGADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000352757115 265154605 /nfs/dbraw/zinc/15/46/05/265154605.db2.gz DOJVHXMHUNPKCC-FQEVSTJZSA-N 2 2 309.457 3.398 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CSc3ccccc32)s1 ZINC000352757685 265154744 /nfs/dbraw/zinc/15/47/44/265154744.db2.gz VKPVFQOOBBHDCW-ZDUSSCGKSA-N 2 2 305.472 3.141 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810301 265177240 /nfs/dbraw/zinc/17/72/40/265177240.db2.gz MQUGSHMCEBSOGP-QRWLVFNGSA-N 2 2 307.441 3.321 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810301 265177242 /nfs/dbraw/zinc/17/72/42/265177242.db2.gz MQUGSHMCEBSOGP-QRWLVFNGSA-N 2 2 307.441 3.321 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000352819191 265181668 /nfs/dbraw/zinc/18/16/68/265181668.db2.gz VVZBUKVATVMJRF-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000352819191 265181675 /nfs/dbraw/zinc/18/16/75/265181675.db2.gz VVZBUKVATVMJRF-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000352819191 265181677 /nfs/dbraw/zinc/18/16/77/265181677.db2.gz VVZBUKVATVMJRF-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000352819191 265181682 /nfs/dbraw/zinc/18/16/82/265181682.db2.gz VVZBUKVATVMJRF-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP CSc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000352834384 265187631 /nfs/dbraw/zinc/18/76/31/265187631.db2.gz LUZNYCAVPNCLKY-STQMWFEESA-N 2 2 314.520 3.059 20 0 DGADLP C[C@@H](C[NH2+]Cc1cscc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000352836885 265189226 /nfs/dbraw/zinc/18/92/26/265189226.db2.gz XSCIYHAJWUUUMC-JTQLQIEISA-N 2 2 303.353 3.389 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928420 265233842 /nfs/dbraw/zinc/23/38/42/265233842.db2.gz CEHUTGUYQYGUJG-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928420 265233845 /nfs/dbraw/zinc/23/38/45/265233845.db2.gz CEHUTGUYQYGUJG-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928420 265233849 /nfs/dbraw/zinc/23/38/49/265233849.db2.gz CEHUTGUYQYGUJG-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928420 265233852 /nfs/dbraw/zinc/23/38/52/265233852.db2.gz CEHUTGUYQYGUJG-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1OC(C)C ZINC000352933706 265237885 /nfs/dbraw/zinc/23/78/85/265237885.db2.gz SWCDYZADXGXEBV-NVXWUHKLSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1OC(C)C ZINC000352933706 265237887 /nfs/dbraw/zinc/23/78/87/265237887.db2.gz SWCDYZADXGXEBV-NVXWUHKLSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1OC(C)C ZINC000352933706 265237888 /nfs/dbraw/zinc/23/78/88/265237888.db2.gz SWCDYZADXGXEBV-NVXWUHKLSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1OC(C)C ZINC000352933706 265237889 /nfs/dbraw/zinc/23/78/89/265237889.db2.gz SWCDYZADXGXEBV-NVXWUHKLSA-N 2 2 318.461 3.008 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353074153 265287970 /nfs/dbraw/zinc/28/79/70/265287970.db2.gz SLZQOMQWHBVXPF-MRXNPFEDSA-N 2 2 314.477 3.391 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353074153 265287974 /nfs/dbraw/zinc/28/79/74/265287974.db2.gz SLZQOMQWHBVXPF-MRXNPFEDSA-N 2 2 314.477 3.391 20 0 DGADLP CSCc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000353096019 265296899 /nfs/dbraw/zinc/29/68/99/265296899.db2.gz YMPGFHJGNLKEDT-UHFFFAOYSA-N 2 2 321.515 3.358 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353234547 265355567 /nfs/dbraw/zinc/35/55/67/265355567.db2.gz IDCIALOADDMWQL-ZDUSSCGKSA-N 2 2 319.474 3.126 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353234547 265355569 /nfs/dbraw/zinc/35/55/69/265355569.db2.gz IDCIALOADDMWQL-ZDUSSCGKSA-N 2 2 319.474 3.126 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353273083 265370211 /nfs/dbraw/zinc/37/02/11/265370211.db2.gz GUYOKDQEFPRZLK-QLFBSQMISA-N 2 2 318.452 3.289 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353273083 265370214 /nfs/dbraw/zinc/37/02/14/265370214.db2.gz GUYOKDQEFPRZLK-QLFBSQMISA-N 2 2 318.452 3.289 20 0 DGADLP CC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000353281767 265373179 /nfs/dbraw/zinc/37/31/79/265373179.db2.gz KYYXGEUVDVUTIM-MRXNPFEDSA-N 2 2 321.428 3.059 20 0 DGADLP CC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000353281767 265373183 /nfs/dbraw/zinc/37/31/83/265373183.db2.gz KYYXGEUVDVUTIM-MRXNPFEDSA-N 2 2 321.428 3.059 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCC(F)(F)CC1 ZINC000353280644 265373996 /nfs/dbraw/zinc/37/39/96/265373996.db2.gz WDFMPIQXZHJNRB-OCCSQVGLSA-N 2 2 306.466 3.227 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCC34CCCC4)[nH+]c2)C1 ZINC000353290240 265377002 /nfs/dbraw/zinc/37/70/02/265377002.db2.gz KZMUUFXMDBWGEV-IRXDYDNUSA-N 2 2 314.477 3.357 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000353322693 265388061 /nfs/dbraw/zinc/38/80/61/265388061.db2.gz WJPBNOZNLMYBOB-VBKFSLOCSA-N 2 2 302.462 3.310 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000353326449 265389920 /nfs/dbraw/zinc/38/99/20/265389920.db2.gz JTAJCEPBGACGNZ-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000353332441 265391327 /nfs/dbraw/zinc/39/13/27/265391327.db2.gz QZHYWOMXQDZXES-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP C[NH+](C)CCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353334063 265393312 /nfs/dbraw/zinc/39/33/12/265393312.db2.gz FJLVDOKKXKMQTJ-IBGZPJMESA-N 2 2 309.413 3.459 20 0 DGADLP C[NH+](C)CCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000353334065 265393405 /nfs/dbraw/zinc/39/34/05/265393405.db2.gz FJLVDOKKXKMQTJ-LJQANCHMSA-N 2 2 309.413 3.459 20 0 DGADLP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000247409589 432229022 /nfs/dbraw/zinc/22/90/22/432229022.db2.gz JICKRTSGILICGU-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000247409589 432229020 /nfs/dbraw/zinc/22/90/20/432229020.db2.gz JICKRTSGILICGU-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000355553881 266112615 /nfs/dbraw/zinc/11/26/15/266112615.db2.gz IQIWXLPOEHRYQB-HKUYNNGSSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000355553881 266112618 /nfs/dbraw/zinc/11/26/18/266112618.db2.gz IQIWXLPOEHRYQB-HKUYNNGSSA-N 2 2 302.462 3.010 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1 ZINC000359877080 271007301 /nfs/dbraw/zinc/00/73/01/271007301.db2.gz VUBCOGSECLFQJL-MRXNPFEDSA-N 2 2 306.413 3.236 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc[nH+]1 ZINC000359903414 271015486 /nfs/dbraw/zinc/01/54/86/271015486.db2.gz QTRDWBFYFOCKFO-ROUUACIJSA-N 2 2 322.456 3.168 20 0 DGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000367609940 271051249 /nfs/dbraw/zinc/05/12/49/271051249.db2.gz YRGGJEQQGPDLOI-CEXWTWQISA-N 2 2 313.445 3.214 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000367671839 271061616 /nfs/dbraw/zinc/06/16/16/271061616.db2.gz QSYCCLMBRKVFRP-FFGOWVMKSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000367671839 271061619 /nfs/dbraw/zinc/06/16/19/271061619.db2.gz QSYCCLMBRKVFRP-FFGOWVMKSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000367708334 271069418 /nfs/dbraw/zinc/06/94/18/271069418.db2.gz UQECJJKLBGQWGT-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000367708334 271069421 /nfs/dbraw/zinc/06/94/21/271069421.db2.gz UQECJJKLBGQWGT-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000367780398 271075696 /nfs/dbraw/zinc/07/56/96/271075696.db2.gz QBHVKNSEDHBQEW-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000367780398 271075699 /nfs/dbraw/zinc/07/56/99/271075699.db2.gz QBHVKNSEDHBQEW-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000367780398 271075704 /nfs/dbraw/zinc/07/57/04/271075704.db2.gz QBHVKNSEDHBQEW-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000367780398 271075710 /nfs/dbraw/zinc/07/57/10/271075710.db2.gz QBHVKNSEDHBQEW-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP Clc1nccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000367972577 271106113 /nfs/dbraw/zinc/10/61/13/271106113.db2.gz LDYKWNKUKMGBRH-RYUDHWBXSA-N 2 2 300.233 3.105 20 0 DGADLP Clc1nccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000367972577 271106114 /nfs/dbraw/zinc/10/61/14/271106114.db2.gz LDYKWNKUKMGBRH-RYUDHWBXSA-N 2 2 300.233 3.105 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000369292012 271259996 /nfs/dbraw/zinc/25/99/96/271259996.db2.gz BZVHZDRODQAAHF-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000369292012 271259997 /nfs/dbraw/zinc/25/99/97/271259997.db2.gz BZVHZDRODQAAHF-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000370394471 271358113 /nfs/dbraw/zinc/35/81/13/271358113.db2.gz LDXRKXWBFFYSQV-QFBILLFUSA-N 2 2 310.441 3.360 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000370394471 271358115 /nfs/dbraw/zinc/35/81/15/271358115.db2.gz LDXRKXWBFFYSQV-QFBILLFUSA-N 2 2 310.441 3.360 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000371008596 271406577 /nfs/dbraw/zinc/40/65/77/271406577.db2.gz YQSIGAVUPXOCNS-GJYPPUQNSA-N 2 2 313.445 3.432 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000371008596 271406579 /nfs/dbraw/zinc/40/65/79/271406579.db2.gz YQSIGAVUPXOCNS-GJYPPUQNSA-N 2 2 313.445 3.432 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000247933207 432254515 /nfs/dbraw/zinc/25/45/15/432254515.db2.gz CFBWWXBNBSJCTC-LFGUQSLTSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000247933207 432254521 /nfs/dbraw/zinc/25/45/21/432254521.db2.gz CFBWWXBNBSJCTC-LFGUQSLTSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000247933207 432254524 /nfs/dbraw/zinc/25/45/24/432254524.db2.gz CFBWWXBNBSJCTC-LFGUQSLTSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000247933207 432254528 /nfs/dbraw/zinc/25/45/28/432254528.db2.gz CFBWWXBNBSJCTC-LFGUQSLTSA-N 3 2 315.505 3.112 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000247972845 432256409 /nfs/dbraw/zinc/25/64/09/432256409.db2.gz JUDORNDQTHXFHC-OLZOCXBDSA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000247972845 432256413 /nfs/dbraw/zinc/25/64/13/432256413.db2.gz JUDORNDQTHXFHC-OLZOCXBDSA-N 2 2 316.898 3.409 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247958360 432256703 /nfs/dbraw/zinc/25/67/03/432256703.db2.gz FXMXCFZGKUQRPR-SCTDSRPQSA-N 3 2 317.521 3.436 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247958360 432256707 /nfs/dbraw/zinc/25/67/07/432256707.db2.gz FXMXCFZGKUQRPR-SCTDSRPQSA-N 3 2 317.521 3.436 20 0 DGADLP COC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000183086824 432258446 /nfs/dbraw/zinc/25/84/46/432258446.db2.gz ATOZTKBEWDDWBR-MRXNPFEDSA-N 2 2 321.371 3.139 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000449350517 274025715 /nfs/dbraw/zinc/02/57/15/274025715.db2.gz MDKSKDNUABSYTA-GOSISDBHSA-N 2 2 324.415 3.043 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000424368875 274256370 /nfs/dbraw/zinc/25/63/70/274256370.db2.gz ARJYTEFEJOLAMJ-RAIGVLPGSA-N 2 2 306.841 3.147 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163420562 274302707 /nfs/dbraw/zinc/30/27/07/274302707.db2.gz QMZCEUNPTVRUNT-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163420562 274302709 /nfs/dbraw/zinc/30/27/09/274302709.db2.gz QMZCEUNPTVRUNT-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415127961 274553373 /nfs/dbraw/zinc/55/33/73/274553373.db2.gz JBCCXYSXRVQIFV-HKUYNNGSSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1cnc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)o1 ZINC000280324226 274825636 /nfs/dbraw/zinc/82/56/36/274825636.db2.gz YRUFZLOOUJYFBL-UHFFFAOYSA-N 2 2 310.401 3.478 20 0 DGADLP Cc1nc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)c(C)[nH+]1 ZINC000185484540 274837515 /nfs/dbraw/zinc/83/75/15/274837515.db2.gz DMLJQCHYUSLIII-AWEZNQCLSA-N 2 2 316.474 3.347 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000184132800 275060722 /nfs/dbraw/zinc/06/07/22/275060722.db2.gz CQBPVSFYILYTLY-LJQANCHMSA-N 2 2 314.404 3.458 20 0 DGADLP Cc1nc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647250 429359033 /nfs/dbraw/zinc/35/90/33/429359033.db2.gz XXSOTCWIHOHVQA-CRAIPNDOSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1nc(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647250 429359037 /nfs/dbraw/zinc/35/90/37/429359037.db2.gz XXSOTCWIHOHVQA-CRAIPNDOSA-N 2 2 310.445 3.498 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1F ZINC000414376040 275675059 /nfs/dbraw/zinc/67/50/59/275675059.db2.gz GSZKAPHOGSFGCI-MRXNPFEDSA-N 2 2 322.403 3.251 20 0 DGADLP CC[N@H+](CCNc1cc(C)[nH+]c(C2CC2)n1)CCC(F)(F)F ZINC000491868371 429424353 /nfs/dbraw/zinc/42/43/53/429424353.db2.gz KFOGIHXZVAYLCJ-UHFFFAOYSA-N 2 2 316.371 3.349 20 0 DGADLP CC[N@@H+](CCNc1cc(C)[nH+]c(C2CC2)n1)CCC(F)(F)F ZINC000491868371 429424357 /nfs/dbraw/zinc/42/43/57/429424357.db2.gz KFOGIHXZVAYLCJ-UHFFFAOYSA-N 2 2 316.371 3.349 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000344329433 276252351 /nfs/dbraw/zinc/25/23/51/276252351.db2.gz MZVQTYQTICVWOS-APHBMKBZSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000344329433 276252352 /nfs/dbraw/zinc/25/23/52/276252352.db2.gz MZVQTYQTICVWOS-APHBMKBZSA-N 2 2 308.853 3.484 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000344814212 276331625 /nfs/dbraw/zinc/33/16/25/276331625.db2.gz JGWGLUVVNVHFIC-GOEBONIOSA-N 2 2 322.449 3.056 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068951 276379667 /nfs/dbraw/zinc/37/96/67/276379667.db2.gz WBHPGZFONZQBSL-KSSFIOAISA-N 2 2 302.462 3.492 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068951 276379669 /nfs/dbraw/zinc/37/96/69/276379669.db2.gz WBHPGZFONZQBSL-KSSFIOAISA-N 2 2 302.462 3.492 20 0 DGADLP CC(C)c1cc(NCC[N@@H+]2CCOC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000630343864 429964860 /nfs/dbraw/zinc/96/48/60/429964860.db2.gz XTDNXBUETBQSLH-UHFFFAOYSA-N 2 2 320.481 3.246 20 0 DGADLP CC(C)c1cc(NCC[N@H+]2CCOC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000630343864 429964866 /nfs/dbraw/zinc/96/48/66/429964866.db2.gz XTDNXBUETBQSLH-UHFFFAOYSA-N 2 2 320.481 3.246 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2ccc(Br)cc2C1 ZINC000342122289 277078905 /nfs/dbraw/zinc/07/89/05/277078905.db2.gz NYENKNJCYJICBG-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccc(Br)cc2C1 ZINC000342122289 277078906 /nfs/dbraw/zinc/07/89/06/277078906.db2.gz NYENKNJCYJICBG-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342122289 277078908 /nfs/dbraw/zinc/07/89/08/277078908.db2.gz NYENKNJCYJICBG-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342122289 277078909 /nfs/dbraw/zinc/07/89/09/277078909.db2.gz NYENKNJCYJICBG-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203286 277145898 /nfs/dbraw/zinc/14/58/98/277145898.db2.gz VUKFBOBPKJZDDX-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203286 277145900 /nfs/dbraw/zinc/14/59/00/277145900.db2.gz VUKFBOBPKJZDDX-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203286 277145901 /nfs/dbraw/zinc/14/59/01/277145901.db2.gz VUKFBOBPKJZDDX-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203286 277145902 /nfs/dbraw/zinc/14/59/02/277145902.db2.gz VUKFBOBPKJZDDX-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000421800885 277190936 /nfs/dbraw/zinc/19/09/36/277190936.db2.gz JGNROFOQCSBXDL-WMZOPIPTSA-N 2 2 304.478 3.097 20 0 DGADLP C[NH2+]CCC[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000435873984 277267635 /nfs/dbraw/zinc/26/76/35/277267635.db2.gz YPXQYYQOUGKNRY-HXUWFJFHSA-N 2 2 310.441 3.404 20 0 DGADLP C[NH2+]CCC[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000435873984 277267638 /nfs/dbraw/zinc/26/76/38/277267638.db2.gz YPXQYYQOUGKNRY-HXUWFJFHSA-N 2 2 310.441 3.404 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423255502 277282761 /nfs/dbraw/zinc/28/27/61/277282761.db2.gz AGLZIEKPTCMDBN-TVQRCGJNSA-N 2 2 315.230 3.021 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661888 277377284 /nfs/dbraw/zinc/37/72/84/277377284.db2.gz RNYDFJJJINZRNM-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661888 277377285 /nfs/dbraw/zinc/37/72/85/277377285.db2.gz RNYDFJJJINZRNM-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661888 277377286 /nfs/dbraw/zinc/37/72/86/277377286.db2.gz RNYDFJJJINZRNM-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661888 277377287 /nfs/dbraw/zinc/37/72/87/277377287.db2.gz RNYDFJJJINZRNM-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422997608 277387424 /nfs/dbraw/zinc/38/74/24/277387424.db2.gz ONXRSRCUDZPKHU-FCGDIQPGSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422997608 277387426 /nfs/dbraw/zinc/38/74/26/277387426.db2.gz ONXRSRCUDZPKHU-FCGDIQPGSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000415068212 277724149 /nfs/dbraw/zinc/72/41/49/277724149.db2.gz QRKWTECLDGZUSB-AYOQOUSVSA-N 3 2 307.526 3.137 20 0 DGADLP CCc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000603386269 430548297 /nfs/dbraw/zinc/54/82/97/430548297.db2.gz OANIHFBMZHFQOZ-CQSZACIVSA-N 2 2 316.474 3.425 20 0 DGADLP CCc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000603386269 430548299 /nfs/dbraw/zinc/54/82/99/430548299.db2.gz OANIHFBMZHFQOZ-CQSZACIVSA-N 2 2 316.474 3.425 20 0 DGADLP COc1cccc2c(N3CC[C@@H]([NH+]4CCCC4)C3)cc(C)[nH+]c12 ZINC000124231311 278024106 /nfs/dbraw/zinc/02/41/06/278024106.db2.gz YHANGUSAJBEYBC-OAHLLOKOSA-N 2 2 311.429 3.226 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc[nH+]c12 ZINC000275845668 278024570 /nfs/dbraw/zinc/02/45/70/278024570.db2.gz QRYJPISKOGNAKR-GDBMZVCRSA-N 2 2 311.429 3.164 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc[nH+]c12 ZINC000275845668 278024572 /nfs/dbraw/zinc/02/45/72/278024572.db2.gz QRYJPISKOGNAKR-GDBMZVCRSA-N 2 2 311.429 3.164 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000426074927 278032817 /nfs/dbraw/zinc/03/28/17/278032817.db2.gz VXSDVDARYMVHIE-SJORKVTESA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000426074927 278032818 /nfs/dbraw/zinc/03/28/18/278032818.db2.gz VXSDVDARYMVHIE-SJORKVTESA-N 2 2 314.473 3.159 20 0 DGADLP CSC1(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000449788604 278122194 /nfs/dbraw/zinc/12/21/94/278122194.db2.gz YESJSVSJNBIGIX-UHFFFAOYSA-N 2 2 310.429 3.231 20 0 DGADLP CSC1(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000449788604 278122197 /nfs/dbraw/zinc/12/21/97/278122197.db2.gz YESJSVSJNBIGIX-UHFFFAOYSA-N 2 2 310.429 3.231 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000076898028 278232160 /nfs/dbraw/zinc/23/21/60/278232160.db2.gz CXYOVBNVFNEAKL-LBPRGKRZSA-N 2 2 317.260 3.194 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423393411 278250643 /nfs/dbraw/zinc/25/06/43/278250643.db2.gz MFQPMYDXHYLXQM-LPHOPBHVSA-N 3 2 321.484 3.316 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+]1CCCC[C@H]1C ZINC000421820983 278287237 /nfs/dbraw/zinc/28/72/37/278287237.db2.gz OSHAMZKSUCIGHB-RYRKJORJSA-N 2 2 301.478 3.182 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@H+]1CCCC[C@H]1C ZINC000421820983 278287240 /nfs/dbraw/zinc/28/72/40/278287240.db2.gz OSHAMZKSUCIGHB-RYRKJORJSA-N 2 2 301.478 3.182 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571422 278305846 /nfs/dbraw/zinc/30/58/46/278305846.db2.gz LBAZGUUMSOQRIE-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571422 278305848 /nfs/dbraw/zinc/30/58/48/278305848.db2.gz LBAZGUUMSOQRIE-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000415108235 278370303 /nfs/dbraw/zinc/37/03/03/278370303.db2.gz PTINNCYRMMAARK-KRWDZBQOSA-N 2 2 304.478 3.258 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423114438 278378857 /nfs/dbraw/zinc/37/88/57/278378857.db2.gz VRLYBAKANRLACN-GPCCPHFNSA-N 2 2 315.230 3.379 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423508248 288049990 /nfs/dbraw/zinc/04/99/90/288049990.db2.gz HWTNXEYHHZGRER-DOMZBBRYSA-N 2 2 317.260 3.413 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2COC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000417885656 278856938 /nfs/dbraw/zinc/85/69/38/278856938.db2.gz HDVXSYYPSJRYII-ROUUACIJSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000247045116 278857224 /nfs/dbraw/zinc/85/72/24/278857224.db2.gz OMRTUSFPZTYXRM-WDSOQIARSA-N 2 2 302.462 3.147 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2nccn21 ZINC000449571126 278916853 /nfs/dbraw/zinc/91/68/53/278916853.db2.gz KQDRUILMOTYICG-RHSMWYFYSA-N 2 2 302.466 3.276 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414721952 279178577 /nfs/dbraw/zinc/17/85/77/279178577.db2.gz JXHORCLEKSIJDW-IRXDYDNUSA-N 3 2 321.534 3.066 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414721952 279178581 /nfs/dbraw/zinc/17/85/81/279178581.db2.gz JXHORCLEKSIJDW-IRXDYDNUSA-N 3 2 321.534 3.066 20 0 DGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430958368 279293107 /nfs/dbraw/zinc/29/31/07/279293107.db2.gz XMOSJGVCRBEUAG-MRXNPFEDSA-N 2 2 320.440 3.318 20 0 DGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430958368 279293108 /nfs/dbraw/zinc/29/31/08/279293108.db2.gz XMOSJGVCRBEUAG-MRXNPFEDSA-N 2 2 320.440 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600711 288123077 /nfs/dbraw/zinc/12/30/77/288123077.db2.gz DHXMRBKRJYEEPP-LPXQKFACSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600711 288123079 /nfs/dbraw/zinc/12/30/79/288123079.db2.gz DHXMRBKRJYEEPP-LPXQKFACSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H](C)c2ccccc21)C[NH+]1CCOCC1 ZINC000153271635 279350371 /nfs/dbraw/zinc/35/03/71/279350371.db2.gz UAUZKOXGJDYZCI-JTDSTZFVSA-N 2 2 302.462 3.183 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297883605 288132926 /nfs/dbraw/zinc/13/29/26/288132926.db2.gz VFLAOWCXCLKSGK-DJSGYFEHSA-N 2 2 305.853 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297883605 288132928 /nfs/dbraw/zinc/13/29/28/288132928.db2.gz VFLAOWCXCLKSGK-DJSGYFEHSA-N 2 2 305.853 3.185 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000427883931 279522816 /nfs/dbraw/zinc/52/28/16/279522816.db2.gz GOKNAQLUTIGCSM-NWDGAFQWSA-N 2 2 320.234 3.311 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171721 431243034 /nfs/dbraw/zinc/24/30/34/431243034.db2.gz LYXQGQYNDMMSEJ-NWDGAFQWSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171721 431243041 /nfs/dbraw/zinc/24/30/41/431243041.db2.gz LYXQGQYNDMMSEJ-NWDGAFQWSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174288 431243386 /nfs/dbraw/zinc/24/33/86/431243386.db2.gz UYKAIZPNJJPYDP-NEPJUHHUSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174288 431243391 /nfs/dbraw/zinc/24/33/91/431243391.db2.gz UYKAIZPNJJPYDP-NEPJUHHUSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccnc1 ZINC000112526398 431280094 /nfs/dbraw/zinc/28/00/94/431280094.db2.gz HPWITDFLJUJPIQ-OAHLLOKOSA-N 2 2 305.491 3.094 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113933991 431367847 /nfs/dbraw/zinc/36/78/47/431367847.db2.gz VANQFMGAURRYGK-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113933991 431367853 /nfs/dbraw/zinc/36/78/53/431367853.db2.gz VANQFMGAURRYGK-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000113933991 431367859 /nfs/dbraw/zinc/36/78/59/431367859.db2.gz VANQFMGAURRYGK-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000113933991 431367869 /nfs/dbraw/zinc/36/78/69/431367869.db2.gz VANQFMGAURRYGK-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113933991 431367874 /nfs/dbraw/zinc/36/78/74/431367874.db2.gz VANQFMGAURRYGK-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113933991 431367883 /nfs/dbraw/zinc/36/78/83/431367883.db2.gz VANQFMGAURRYGK-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000072823644 431350201 /nfs/dbraw/zinc/35/02/01/431350201.db2.gz GAJBPFUTEROJHQ-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000072823644 431350210 /nfs/dbraw/zinc/35/02/10/431350210.db2.gz GAJBPFUTEROJHQ-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000113515515 431352490 /nfs/dbraw/zinc/35/24/90/431352490.db2.gz FPIPSJGFPOXCMO-CYBMUJFWSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000113515515 431352496 /nfs/dbraw/zinc/35/24/96/431352496.db2.gz FPIPSJGFPOXCMO-CYBMUJFWSA-N 2 2 303.837 3.272 20 0 DGADLP Cc1noc(C)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322344 431413006 /nfs/dbraw/zinc/41/30/06/431413006.db2.gz XWSVIMHTOFAFBK-UHFFFAOYSA-N 2 2 313.445 3.388 20 0 DGADLP Cc1noc(C)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322344 431413010 /nfs/dbraw/zinc/41/30/10/431413010.db2.gz XWSVIMHTOFAFBK-UHFFFAOYSA-N 2 2 313.445 3.388 20 0 DGADLP C[N@H+](C[C@H](O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480692 431390050 /nfs/dbraw/zinc/39/00/50/431390050.db2.gz WJIUJURHCQFFON-NRFANRHFSA-N 2 2 324.468 3.316 20 0 DGADLP C[N@@H+](C[C@H](O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480692 431390052 /nfs/dbraw/zinc/39/00/52/431390052.db2.gz WJIUJURHCQFFON-NRFANRHFSA-N 2 2 324.468 3.316 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115547265 431460497 /nfs/dbraw/zinc/46/04/97/431460497.db2.gz ABZWKHUYMBCCSC-CQSZACIVSA-N 2 2 310.869 3.180 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115547265 431460505 /nfs/dbraw/zinc/46/05/05/431460505.db2.gz ABZWKHUYMBCCSC-CQSZACIVSA-N 2 2 310.869 3.180 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1ccccn1)[N@@H+]1CCc2ccccc2C1 ZINC000075675305 431491301 /nfs/dbraw/zinc/49/13/01/431491301.db2.gz LYTGYFSBIWYDFJ-FQEVSTJZSA-N 2 2 309.457 3.254 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1ccccn1)[N@H+]1CCc2ccccc2C1 ZINC000075675305 431491306 /nfs/dbraw/zinc/49/13/06/431491306.db2.gz LYTGYFSBIWYDFJ-FQEVSTJZSA-N 2 2 309.457 3.254 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@@H+]1C ZINC000344320423 280119153 /nfs/dbraw/zinc/11/91/53/280119153.db2.gz CJAJMOIRHPHDSI-BLLLJJGKSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@H+]1C ZINC000344320423 280119156 /nfs/dbraw/zinc/11/91/56/280119156.db2.gz CJAJMOIRHPHDSI-BLLLJJGKSA-N 2 2 303.837 3.461 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000423197341 280309024 /nfs/dbraw/zinc/30/90/24/280309024.db2.gz ZAIBIZANZBBPBH-UONOGXRCSA-N 2 2 309.251 3.086 20 0 DGADLP Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000420368965 280392217 /nfs/dbraw/zinc/39/22/17/280392217.db2.gz XEPSTECGBOEUQN-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(Br)cs1 ZINC000119138480 431654207 /nfs/dbraw/zinc/65/42/07/431654207.db2.gz JEZGDJHESQCZNT-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(Br)cs1 ZINC000119138480 431654213 /nfs/dbraw/zinc/65/42/13/431654213.db2.gz JEZGDJHESQCZNT-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cc(Br)cs1 ZINC000119138480 431654217 /nfs/dbraw/zinc/65/42/17/431654217.db2.gz JEZGDJHESQCZNT-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cc(Br)cs1 ZINC000119138480 431654224 /nfs/dbraw/zinc/65/42/24/431654224.db2.gz JEZGDJHESQCZNT-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000118972636 431629377 /nfs/dbraw/zinc/62/93/77/431629377.db2.gz IBWYWMCGHSDIEM-CRAIPNDOSA-N 2 2 300.450 3.165 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119377288 431685264 /nfs/dbraw/zinc/68/52/64/431685264.db2.gz CGLBTVPEFQKVOR-YJBOKZPZSA-N 2 2 324.428 3.032 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119377288 431685270 /nfs/dbraw/zinc/68/52/70/431685270.db2.gz CGLBTVPEFQKVOR-YJBOKZPZSA-N 2 2 324.428 3.032 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)ccc1F ZINC000119416840 431690044 /nfs/dbraw/zinc/69/00/44/431690044.db2.gz NMVHRMSIRYSGLL-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119649238 431714226 /nfs/dbraw/zinc/71/42/26/431714226.db2.gz FUDMXLWFQOOYQF-SFHVURJKSA-N 2 2 316.445 3.125 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081633153 431800235 /nfs/dbraw/zinc/80/02/35/431800235.db2.gz IGQSWHQMMLSTRG-HNNXBMFYSA-N 2 2 324.415 3.452 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081633153 431800242 /nfs/dbraw/zinc/80/02/42/431800242.db2.gz IGQSWHQMMLSTRG-HNNXBMFYSA-N 2 2 324.415 3.452 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000081633153 431800251 /nfs/dbraw/zinc/80/02/51/431800251.db2.gz IGQSWHQMMLSTRG-HNNXBMFYSA-N 2 2 324.415 3.452 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000081633153 431800258 /nfs/dbraw/zinc/80/02/58/431800258.db2.gz IGQSWHQMMLSTRG-HNNXBMFYSA-N 2 2 324.415 3.452 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000121427971 431786517 /nfs/dbraw/zinc/78/65/17/431786517.db2.gz CAPGZUVGIGQHPS-OAHLLOKOSA-N 2 2 304.438 3.166 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000121427971 431786521 /nfs/dbraw/zinc/78/65/21/431786521.db2.gz CAPGZUVGIGQHPS-OAHLLOKOSA-N 2 2 304.438 3.166 20 0 DGADLP CCn1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000122757026 431843692 /nfs/dbraw/zinc/84/36/92/431843692.db2.gz VXZMRMHRRTUWNP-INIZCTEOSA-N 2 2 312.461 3.002 20 0 DGADLP CCn1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000122757026 431843694 /nfs/dbraw/zinc/84/36/94/431843694.db2.gz VXZMRMHRRTUWNP-INIZCTEOSA-N 2 2 312.461 3.002 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cc[nH]c2)CCOCC1)c1ccccc1 ZINC000086254804 431844340 /nfs/dbraw/zinc/84/43/40/431844340.db2.gz JEVJSKRVGFWGAA-MRXNPFEDSA-N 2 2 313.445 3.004 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1Br ZINC000037157926 431845365 /nfs/dbraw/zinc/84/53/65/431845365.db2.gz WBGBLKOTXJLSRT-VXGBXAGGSA-N 2 2 308.223 3.385 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000037977590 431852633 /nfs/dbraw/zinc/85/26/33/431852633.db2.gz OFHCXHNMKMOSBE-UHFFFAOYSA-N 2 2 304.406 3.309 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000035223439 431828019 /nfs/dbraw/zinc/82/80/19/431828019.db2.gz CCRGLAAOSWICFG-UHFFFAOYSA-N 2 2 315.751 3.318 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000036301197 431837449 /nfs/dbraw/zinc/83/74/49/431837449.db2.gz DVXAWCHINDFVPM-UHFFFAOYSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000036301197 431837452 /nfs/dbraw/zinc/83/74/52/431837452.db2.gz DVXAWCHINDFVPM-UHFFFAOYSA-N 2 2 301.459 3.302 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnccn1 ZINC000125111351 431914798 /nfs/dbraw/zinc/91/47/98/431914798.db2.gz VQYVBHRMEFVDPJ-CVEARBPZSA-N 2 2 310.445 3.353 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000093996619 431918566 /nfs/dbraw/zinc/91/85/66/431918566.db2.gz CYTVWMQDNGPSJZ-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Br)c1 ZINC000093996619 431918568 /nfs/dbraw/zinc/91/85/68/431918568.db2.gz CYTVWMQDNGPSJZ-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000044535747 431874789 /nfs/dbraw/zinc/87/47/89/431874789.db2.gz UTIZBLWHDXXTHS-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000044535747 431874791 /nfs/dbraw/zinc/87/47/91/431874791.db2.gz UTIZBLWHDXXTHS-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000044529383 431875300 /nfs/dbraw/zinc/87/53/00/431875300.db2.gz RRWPLQLMYATRSJ-LLVKDONJSA-N 2 2 303.233 3.043 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000044529383 431875302 /nfs/dbraw/zinc/87/53/02/431875302.db2.gz RRWPLQLMYATRSJ-LLVKDONJSA-N 2 2 303.233 3.043 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000124218793 431886398 /nfs/dbraw/zinc/88/63/98/431886398.db2.gz DPDSVJRTHWJLPZ-LBPRGKRZSA-N 2 2 317.260 3.194 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000090721567 431894680 /nfs/dbraw/zinc/89/46/80/431894680.db2.gz HQMKUKKSVBPVCI-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@H+]1C ZINC000090721567 431894681 /nfs/dbraw/zinc/89/46/81/431894681.db2.gz HQMKUKKSVBPVCI-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000090721803 431895266 /nfs/dbraw/zinc/89/52/66/431895266.db2.gz PVXUZGSLJQRWQE-AAEUAGOBSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000090721803 431895267 /nfs/dbraw/zinc/89/52/67/431895267.db2.gz PVXUZGSLJQRWQE-AAEUAGOBSA-N 2 2 302.340 3.158 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913981 431897589 /nfs/dbraw/zinc/89/75/89/431897589.db2.gz DGUUGFNHHMFMLF-PCCBWWKXSA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913981 431897591 /nfs/dbraw/zinc/89/75/91/431897591.db2.gz DGUUGFNHHMFMLF-PCCBWWKXSA-N 2 2 324.468 3.363 20 0 DGADLP Cc1ncsc1CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075307 431900870 /nfs/dbraw/zinc/90/08/70/431900870.db2.gz JCDRKTDPPHTELS-UHFFFAOYSA-N 2 2 317.502 3.494 20 0 DGADLP Cc1ncsc1CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075307 431900872 /nfs/dbraw/zinc/90/08/72/431900872.db2.gz JCDRKTDPPHTELS-UHFFFAOYSA-N 2 2 317.502 3.494 20 0 DGADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000124702520 431901742 /nfs/dbraw/zinc/90/17/42/431901742.db2.gz YICNXKBXIRQWCY-ZACQAIPSSA-N 2 2 324.472 3.284 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)sc1Br ZINC000125505839 431927427 /nfs/dbraw/zinc/92/74/27/431927427.db2.gz CWOUWIORTATHCX-LLVKDONJSA-N 2 2 317.296 3.203 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)sc1Br ZINC000125505839 431927429 /nfs/dbraw/zinc/92/74/29/431927429.db2.gz CWOUWIORTATHCX-LLVKDONJSA-N 2 2 317.296 3.203 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000125562596 431929897 /nfs/dbraw/zinc/92/98/97/431929897.db2.gz NVWYAYODUIRTOE-GFCCVEGCSA-N 2 2 318.795 3.325 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000125562596 431929900 /nfs/dbraw/zinc/92/99/00/431929900.db2.gz NVWYAYODUIRTOE-GFCCVEGCSA-N 2 2 318.795 3.325 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000125580304 431930319 /nfs/dbraw/zinc/93/03/19/431930319.db2.gz JQMOMQMDRWVGIS-AEFFLSMTSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000125580304 431930321 /nfs/dbraw/zinc/93/03/21/431930321.db2.gz JQMOMQMDRWVGIS-AEFFLSMTSA-N 2 2 312.461 3.353 20 0 DGADLP CCC(CC)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125791977 431936582 /nfs/dbraw/zinc/93/65/82/431936582.db2.gz DZMVOOMGBJFCLY-ZWKOTPCHSA-N 2 2 314.477 3.455 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)cc1F ZINC000049553813 431942019 /nfs/dbraw/zinc/94/20/19/431942019.db2.gz LDHYDLOESGCVMW-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126776156 431958200 /nfs/dbraw/zinc/95/82/00/431958200.db2.gz RGWIQZCSVHZQDM-IKGGRYGDSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776156 431958202 /nfs/dbraw/zinc/95/82/02/431958202.db2.gz RGWIQZCSVHZQDM-IKGGRYGDSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776156 431958203 /nfs/dbraw/zinc/95/82/03/431958203.db2.gz RGWIQZCSVHZQDM-IKGGRYGDSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126825240 431958646 /nfs/dbraw/zinc/95/86/46/431958646.db2.gz HEAYZBVFIHAOLS-LSDHHAIUSA-N 2 2 316.474 3.101 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126825240 431958648 /nfs/dbraw/zinc/95/86/48/431958648.db2.gz HEAYZBVFIHAOLS-LSDHHAIUSA-N 2 2 316.474 3.101 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CCC2 ZINC000339068484 281119273 /nfs/dbraw/zinc/11/92/73/281119273.db2.gz QOQJMHRSJYSGAD-MSOLQXFVSA-N 2 2 304.503 3.399 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000178325702 281380520 /nfs/dbraw/zinc/38/05/20/281380520.db2.gz FCYNLIZPXCNIHJ-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000178325702 281380522 /nfs/dbraw/zinc/38/05/22/281380522.db2.gz FCYNLIZPXCNIHJ-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000183227753 432270130 /nfs/dbraw/zinc/27/01/30/432270130.db2.gz RVVIAJAWLSCNMC-LBPRGKRZSA-N 2 2 322.416 3.027 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccnc1Cl ZINC000191514781 432273530 /nfs/dbraw/zinc/27/35/30/432273530.db2.gz LHQQJCVVAACHBC-UHFFFAOYSA-N 2 2 306.841 3.406 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccnc1Cl ZINC000191514781 432273534 /nfs/dbraw/zinc/27/35/34/432273534.db2.gz LHQQJCVVAACHBC-UHFFFAOYSA-N 2 2 306.841 3.406 20 0 DGADLP C[C@H](CC[NH2+]Cc1nccn1-c1ccccc1)[NH+]1CCCCC1 ZINC000191589762 432281324 /nfs/dbraw/zinc/28/13/24/432281324.db2.gz WOPMXGCDDHACAR-QGZVFWFLSA-N 2 2 312.461 3.226 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183370399 432286255 /nfs/dbraw/zinc/28/62/55/432286255.db2.gz NHPXSXYYBPJCGJ-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183370399 432286257 /nfs/dbraw/zinc/28/62/57/432286257.db2.gz NHPXSXYYBPJCGJ-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545694 432302153 /nfs/dbraw/zinc/30/21/53/432302153.db2.gz KQDKEJJDPGOEAL-LSDHHAIUSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545694 432302154 /nfs/dbraw/zinc/30/21/54/432302154.db2.gz KQDKEJJDPGOEAL-LSDHHAIUSA-N 2 2 316.449 3.165 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(OC)c1 ZINC000248038031 432263642 /nfs/dbraw/zinc/26/36/42/432263642.db2.gz SDHHRRDWPWFWJE-VDZJLULYSA-N 2 2 320.477 3.093 20 0 DGADLP CCCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248036731 432264239 /nfs/dbraw/zinc/26/42/39/432264239.db2.gz RUJCCLFHJZJJIU-MJGOQNOKSA-N 2 2 319.493 3.088 20 0 DGADLP CCCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248036731 432264241 /nfs/dbraw/zinc/26/42/41/432264241.db2.gz RUJCCLFHJZJJIU-MJGOQNOKSA-N 2 2 319.493 3.088 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nccn1C(C)C ZINC000191470753 432267590 /nfs/dbraw/zinc/26/75/90/432267590.db2.gz AVPMVGKONJJMNT-UHFFFAOYSA-N 2 2 303.454 3.135 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nccn1C(C)C ZINC000191470753 432267593 /nfs/dbraw/zinc/26/75/93/432267593.db2.gz AVPMVGKONJJMNT-UHFFFAOYSA-N 2 2 303.454 3.135 20 0 DGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000152241508 432316171 /nfs/dbraw/zinc/31/61/71/432316171.db2.gz FBVPJXTZGSKQGU-GOSISDBHSA-N 2 2 311.429 3.306 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccs2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152383369 432328676 /nfs/dbraw/zinc/32/86/76/432328676.db2.gz USYOTFMVXNCVAX-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccs2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152383369 432328680 /nfs/dbraw/zinc/32/86/80/432328680.db2.gz USYOTFMVXNCVAX-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1ncc(-c2cccs2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152383369 432328685 /nfs/dbraw/zinc/32/86/85/432328685.db2.gz USYOTFMVXNCVAX-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1ncc(-c2cccs2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152383369 432328691 /nfs/dbraw/zinc/32/86/91/432328691.db2.gz USYOTFMVXNCVAX-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000249041318 432334696 /nfs/dbraw/zinc/33/46/96/432334696.db2.gz VDKAGOQFLCCNFY-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000249041318 432334698 /nfs/dbraw/zinc/33/46/98/432334698.db2.gz VDKAGOQFLCCNFY-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000152756023 432353138 /nfs/dbraw/zinc/35/31/38/432353138.db2.gz DEWXKHCRCBKZKI-GFCCVEGCSA-N 2 2 305.372 3.391 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000152755924 432353606 /nfs/dbraw/zinc/35/36/06/432353606.db2.gz DEWXKHCRCBKZKI-LBPRGKRZSA-N 2 2 305.372 3.391 20 0 DGADLP CCCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834828 432305639 /nfs/dbraw/zinc/30/56/39/432305639.db2.gz WUYAVQLLXNZXCW-HKUYNNGSSA-N 2 2 304.478 3.446 20 0 DGADLP CCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834828 432305641 /nfs/dbraw/zinc/30/56/41/432305641.db2.gz WUYAVQLLXNZXCW-HKUYNNGSSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838467 432308255 /nfs/dbraw/zinc/30/82/55/432308255.db2.gz AGQMIHKSXWYHBM-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838467 432308258 /nfs/dbraw/zinc/30/82/58/432308258.db2.gz AGQMIHKSXWYHBM-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000251912214 432374215 /nfs/dbraw/zinc/37/42/15/432374215.db2.gz XGMNFPXMDBGDNL-IAQYHMDHSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000251912214 432374217 /nfs/dbraw/zinc/37/42/17/432374217.db2.gz XGMNFPXMDBGDNL-IAQYHMDHSA-N 2 2 305.809 3.164 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000184275639 432375522 /nfs/dbraw/zinc/37/55/22/432375522.db2.gz JEOPYEGUHSMEEC-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cnccc2C)cn1 ZINC000271389525 432385397 /nfs/dbraw/zinc/38/53/97/432385397.db2.gz JPWJXDPDLVBVRG-AWEZNQCLSA-N 2 2 307.401 3.130 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000252675191 432386460 /nfs/dbraw/zinc/38/64/60/432386460.db2.gz XWZMXDHMTHYUFG-NEPJUHHUSA-N 2 2 316.417 3.452 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000252675191 432386463 /nfs/dbraw/zinc/38/64/63/432386463.db2.gz XWZMXDHMTHYUFG-NEPJUHHUSA-N 2 2 316.417 3.452 20 0 DGADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000184419879 432388778 /nfs/dbraw/zinc/38/87/78/432388778.db2.gz CYXYBWSOYCMSEI-UHFFFAOYSA-N 2 2 306.454 3.284 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000253192934 432390065 /nfs/dbraw/zinc/39/00/65/432390065.db2.gz NXLLATUUPYUCPI-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000253192934 432390067 /nfs/dbraw/zinc/39/00/67/432390067.db2.gz NXLLATUUPYUCPI-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc(C)c1F ZINC000153352724 432402141 /nfs/dbraw/zinc/40/21/41/432402141.db2.gz DBDTZGLUGWFYLR-BBRMVZONSA-N 2 2 308.441 3.061 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000152788570 432357112 /nfs/dbraw/zinc/35/71/12/432357112.db2.gz ONQAJQVDLHYFRD-MJBXVCDLSA-N 2 2 312.417 3.277 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000184752933 432428511 /nfs/dbraw/zinc/42/85/11/432428511.db2.gz CBROETYYTCJBKR-RTHVDDQRSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000184752933 432428515 /nfs/dbraw/zinc/42/85/15/432428515.db2.gz CBROETYYTCJBKR-RTHVDDQRSA-N 2 2 313.445 3.229 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000192925092 432429280 /nfs/dbraw/zinc/42/92/80/432429280.db2.gz OCLWZUDHKUQKMG-OAHLLOKOSA-N 2 2 300.450 3.100 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000261555227 432430123 /nfs/dbraw/zinc/43/01/23/432430123.db2.gz PNHYHTKJCNCMKC-ZDUSSCGKSA-N 2 2 303.219 3.051 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261566557 432431394 /nfs/dbraw/zinc/43/13/94/432431394.db2.gz IHOLTHJXJWDIHG-OSAQELSMSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261566557 432431399 /nfs/dbraw/zinc/43/13/99/432431399.db2.gz IHOLTHJXJWDIHG-OSAQELSMSA-N 2 2 309.251 3.194 20 0 DGADLP Cc1ccc2cc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)ccc2n1 ZINC000261648463 432437252 /nfs/dbraw/zinc/43/72/52/432437252.db2.gz AXRRZJVZTTVDJZ-VQTJNVASSA-N 2 2 317.436 3.470 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)ccc2n1 ZINC000261648463 432437256 /nfs/dbraw/zinc/43/72/56/432437256.db2.gz AXRRZJVZTTVDJZ-VQTJNVASSA-N 2 2 317.436 3.470 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1c1ccccc1 ZINC000261633974 432437927 /nfs/dbraw/zinc/43/79/27/432437927.db2.gz DBYFAXNLSGRSES-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1c1ccccc1 ZINC000261633974 432437929 /nfs/dbraw/zinc/43/79/29/432437929.db2.gz DBYFAXNLSGRSES-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)nc2ccccc12 ZINC000261719592 432444028 /nfs/dbraw/zinc/44/40/28/432444028.db2.gz PXNXZTIMVQPNNY-KRWDZBQOSA-N 2 2 303.837 3.367 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)nc2ccccc12 ZINC000261719592 432444032 /nfs/dbraw/zinc/44/40/32/432444032.db2.gz PXNXZTIMVQPNNY-KRWDZBQOSA-N 2 2 303.837 3.367 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1C ZINC000192851926 432421872 /nfs/dbraw/zinc/42/18/72/432421872.db2.gz MNQPTKHDNRKFKD-KGLIPLIRSA-N 2 2 309.417 3.326 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)CC3(C[NH3+])CCCCC3)cc2[nH+]1 ZINC000262298531 432480351 /nfs/dbraw/zinc/48/03/51/432480351.db2.gz OHHKNKGJDYANDQ-UHFFFAOYSA-N 2 2 300.406 3.109 20 0 DGADLP Clc1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000262395774 432484432 /nfs/dbraw/zinc/48/44/32/432484432.db2.gz BVRIIZSKSGIMDU-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000262395774 432484434 /nfs/dbraw/zinc/48/44/34/432484434.db2.gz BVRIIZSKSGIMDU-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000262382418 432484550 /nfs/dbraw/zinc/48/45/50/432484550.db2.gz YXDSHLNTFZHQOE-CVEARBPZSA-N 2 2 302.466 3.405 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000262456612 432485544 /nfs/dbraw/zinc/48/55/44/432485544.db2.gz IEEIBFDHBZHSSP-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000262456612 432485547 /nfs/dbraw/zinc/48/55/47/432485547.db2.gz IEEIBFDHBZHSSP-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000185295750 432487292 /nfs/dbraw/zinc/48/72/92/432487292.db2.gz QYIIHURDPJQCLR-JKSUJKDBSA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000185295750 432487295 /nfs/dbraw/zinc/48/72/95/432487295.db2.gz QYIIHURDPJQCLR-JKSUJKDBSA-N 2 2 314.473 3.332 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000262469776 432488492 /nfs/dbraw/zinc/48/84/92/432488492.db2.gz JDJRBTIRMOVPFE-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000262469776 432488494 /nfs/dbraw/zinc/48/84/94/432488494.db2.gz JDJRBTIRMOVPFE-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000262513339 432490303 /nfs/dbraw/zinc/49/03/03/432490303.db2.gz NCZFRBVBYUKATB-DZGCQCFKSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000262513339 432490306 /nfs/dbraw/zinc/49/03/06/432490306.db2.gz NCZFRBVBYUKATB-DZGCQCFKSA-N 2 2 317.820 3.179 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(SC2CCCC2)cc1 ZINC000154386458 432493905 /nfs/dbraw/zinc/49/39/05/432493905.db2.gz TXGDUIDYVSHSGM-GDBMZVCRSA-N 2 2 322.518 3.294 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(SC2CCCC2)cc1 ZINC000154386345 432495097 /nfs/dbraw/zinc/49/50/97/432495097.db2.gz TXGDUIDYVSHSGM-GOEBONIOSA-N 2 2 322.518 3.294 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635425 432510976 /nfs/dbraw/zinc/51/09/76/432510976.db2.gz YRDAVNBTDGVMAN-CMPLNLGQSA-N 2 2 302.340 3.172 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000272197132 432460717 /nfs/dbraw/zinc/46/07/17/432460717.db2.gz IJEDTWZBSOZVRG-CZUORRHYSA-N 2 2 316.474 3.457 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261949741 432463479 /nfs/dbraw/zinc/46/34/79/432463479.db2.gz NTKBUHDXMRBDGG-CQSZACIVSA-N 2 2 308.853 3.300 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261949741 432463483 /nfs/dbraw/zinc/46/34/83/432463483.db2.gz NTKBUHDXMRBDGG-CQSZACIVSA-N 2 2 308.853 3.300 20 0 DGADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000154059132 432469023 /nfs/dbraw/zinc/46/90/23/432469023.db2.gz ZNHGWEPHQMVEEU-SFHVURJKSA-N 2 2 319.493 3.269 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000262018883 432469186 /nfs/dbraw/zinc/46/91/86/432469186.db2.gz VYAPYBVACIPWFE-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000262018883 432469188 /nfs/dbraw/zinc/46/91/88/432469188.db2.gz VYAPYBVACIPWFE-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272506666 432513723 /nfs/dbraw/zinc/51/37/23/432513723.db2.gz FITDJGOZKLUIHM-MRXNPFEDSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194036084 432519160 /nfs/dbraw/zinc/51/91/60/432519160.db2.gz OERGMPSUGVPIPD-OQIJWPOYSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194036084 432519162 /nfs/dbraw/zinc/51/91/62/432519162.db2.gz OERGMPSUGVPIPD-OQIJWPOYSA-N 2 2 314.473 3.054 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194243777 432534896 /nfs/dbraw/zinc/53/48/96/432534896.db2.gz NKJWCGDAHZFIOL-UHFFFAOYSA-N 2 2 312.461 3.429 20 0 DGADLP CCSCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177360090 432615207 /nfs/dbraw/zinc/61/52/07/432615207.db2.gz DEQAWNPPHGXSQX-CQSZACIVSA-N 2 2 304.463 3.231 20 0 DGADLP CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177360090 432615211 /nfs/dbraw/zinc/61/52/11/432615211.db2.gz DEQAWNPPHGXSQX-CQSZACIVSA-N 2 2 304.463 3.231 20 0 DGADLP C[N@H+](CCCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177028627 432578216 /nfs/dbraw/zinc/57/82/16/432578216.db2.gz RYSBGWMUFQQYAF-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP C[N@@H+](CCCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177028627 432578221 /nfs/dbraw/zinc/57/82/21/432578221.db2.gz RYSBGWMUFQQYAF-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177033583 432578589 /nfs/dbraw/zinc/57/85/89/432578589.db2.gz GWWTXUQFYYGPRK-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000194979049 432591017 /nfs/dbraw/zinc/59/10/17/432591017.db2.gz ACIMAGBNTLFYEO-APWZRJJASA-N 2 2 312.461 3.391 20 0 DGADLP COC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000186512106 432602442 /nfs/dbraw/zinc/60/24/42/432602442.db2.gz PFSJZQGPZDWGGM-UHFFFAOYSA-N 2 2 322.415 3.342 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158182487 432640019 /nfs/dbraw/zinc/64/00/19/432640019.db2.gz VNHSXQSFBORTDQ-NVXWUHKLSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182487 432640021 /nfs/dbraw/zinc/64/00/21/432640021.db2.gz VNHSXQSFBORTDQ-NVXWUHKLSA-N 3 2 312.461 3.173 20 0 DGADLP Clc1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000274297012 432648324 /nfs/dbraw/zinc/64/83/24/432648324.db2.gz IQXBXOOMSPPGKO-JTQLQIEISA-N 2 2 311.216 3.491 20 0 DGADLP Clc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000274297012 432648327 /nfs/dbraw/zinc/64/83/27/432648327.db2.gz IQXBXOOMSPPGKO-JTQLQIEISA-N 2 2 311.216 3.491 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(O)CCCCCC1 ZINC000187319188 432657257 /nfs/dbraw/zinc/65/72/57/432657257.db2.gz RPHGBXQSHUJBCA-UHFFFAOYSA-N 2 2 313.445 3.389 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(O)CCCCCC1 ZINC000187319188 432657263 /nfs/dbraw/zinc/65/72/63/432657263.db2.gz RPHGBXQSHUJBCA-UHFFFAOYSA-N 2 2 313.445 3.389 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000178102128 432694263 /nfs/dbraw/zinc/69/42/63/432694263.db2.gz MWHYLSRLYDSDEV-PBHICJAKSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102128 432694266 /nfs/dbraw/zinc/69/42/66/432694266.db2.gz MWHYLSRLYDSDEV-PBHICJAKSA-N 2 2 318.461 3.214 20 0 DGADLP COCCC[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000178111350 432696646 /nfs/dbraw/zinc/69/66/46/432696646.db2.gz XMZUUWVJSQVKAV-MRXNPFEDSA-N 2 2 314.539 3.143 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000178120235 432697442 /nfs/dbraw/zinc/69/74/42/432697442.db2.gz KPVCNKLCTGGFDR-LSDHHAIUSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000178120235 432697446 /nfs/dbraw/zinc/69/74/46/432697446.db2.gz KPVCNKLCTGGFDR-LSDHHAIUSA-N 2 2 310.482 3.103 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000178187315 432703855 /nfs/dbraw/zinc/70/38/55/432703855.db2.gz MBIALGWDVIZPFX-LPHOPBHVSA-N 2 2 320.477 3.237 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178263677 432713884 /nfs/dbraw/zinc/71/38/84/432713884.db2.gz XSSYQWDEBAKERO-QAPCUYQASA-N 2 2 312.461 3.044 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178263677 432713889 /nfs/dbraw/zinc/71/38/89/432713889.db2.gz XSSYQWDEBAKERO-QAPCUYQASA-N 2 2 312.461 3.044 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000178310149 432718266 /nfs/dbraw/zinc/71/82/66/432718266.db2.gz KPDSKTGYBXKQDB-ZDUSSCGKSA-N 2 2 316.474 3.260 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H](CC)[NH+](C)C)cc2[nH+]1 ZINC000177971393 432679829 /nfs/dbraw/zinc/67/98/29/432679829.db2.gz RCXMXASXSGCBGD-OAHLLOKOSA-N 2 2 302.422 3.184 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319710 432680770 /nfs/dbraw/zinc/68/07/70/432680770.db2.gz JQFDBUFAWSZZIQ-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319710 432680772 /nfs/dbraw/zinc/68/07/72/432680772.db2.gz JQFDBUFAWSZZIQ-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP CCn1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000274623187 432689932 /nfs/dbraw/zinc/68/99/32/432689932.db2.gz XJWIHGWHWWJDLY-UHFFFAOYSA-N 2 2 309.417 3.159 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Br ZINC000275774825 432749113 /nfs/dbraw/zinc/74/91/13/432749113.db2.gz ZEMCVEMNBBUMMO-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Br ZINC000275774825 432749117 /nfs/dbraw/zinc/74/91/17/432749117.db2.gz ZEMCVEMNBBUMMO-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1sccc1Br ZINC000275774825 432749121 /nfs/dbraw/zinc/74/91/21/432749121.db2.gz ZEMCVEMNBBUMMO-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1sccc1Br ZINC000275774825 432749124 /nfs/dbraw/zinc/74/91/24/432749124.db2.gz ZEMCVEMNBBUMMO-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266005993 432750300 /nfs/dbraw/zinc/75/03/00/432750300.db2.gz KVCZNJXVCHJWFT-GJZGRUSLSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266005993 432750306 /nfs/dbraw/zinc/75/03/06/432750306.db2.gz KVCZNJXVCHJWFT-GJZGRUSLSA-N 2 2 308.853 3.055 20 0 DGADLP COCCC1(C[NH2+]CCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000189028713 432758492 /nfs/dbraw/zinc/75/84/92/432758492.db2.gz QHCFNSNOBCBYJF-UHFFFAOYSA-N 2 2 315.461 3.453 20 0 DGADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581799 432767602 /nfs/dbraw/zinc/76/76/02/432767602.db2.gz IEKQODQFONFXCL-QAPCUYQASA-N 2 2 322.880 3.181 20 0 DGADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581799 432767603 /nfs/dbraw/zinc/76/76/03/432767603.db2.gz IEKQODQFONFXCL-QAPCUYQASA-N 2 2 322.880 3.181 20 0 DGADLP CCC[NH2+]CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000161337495 432773371 /nfs/dbraw/zinc/77/33/71/432773371.db2.gz PBVQVBOLOJSGRT-UHFFFAOYSA-N 2 2 305.647 3.192 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000237249764 432781700 /nfs/dbraw/zinc/78/17/00/432781700.db2.gz WTHLJLSJTJOPSD-SJORKVTESA-N 2 2 304.478 3.480 20 0 DGADLP C[N@H+](Cc1csc(-c2ccsc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231461088 432733123 /nfs/dbraw/zinc/73/31/23/432733123.db2.gz OBDKBUDRAQJXGQ-AWEZNQCLSA-N 2 2 307.488 3.446 20 0 DGADLP C[N@@H+](Cc1csc(-c2ccsc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231461088 432733124 /nfs/dbraw/zinc/73/31/24/432733124.db2.gz OBDKBUDRAQJXGQ-AWEZNQCLSA-N 2 2 307.488 3.446 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(C)c2Br)CC1 ZINC000276600072 432821927 /nfs/dbraw/zinc/82/19/27/432821927.db2.gz XTMZARCRGAZIND-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP FC(F)Oc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266754577 432785742 /nfs/dbraw/zinc/78/57/42/432785742.db2.gz ORZGWRQSHXSKNL-UHFFFAOYSA-N 2 2 307.344 3.391 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000237446882 432787724 /nfs/dbraw/zinc/78/77/24/432787724.db2.gz XRNQGHNLBWRYSC-UIFIKXQLSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000237446882 432787728 /nfs/dbraw/zinc/78/77/28/432787728.db2.gz XRNQGHNLBWRYSC-UIFIKXQLSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1)c1ccccc1 ZINC000237611062 432794221 /nfs/dbraw/zinc/79/42/21/432794221.db2.gz AUECHJUMUPCRSA-MRXNPFEDSA-N 2 2 310.445 3.049 20 0 DGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266888454 432794169 /nfs/dbraw/zinc/79/41/69/432794169.db2.gz BXJIUNNOTLLHFY-LBPRGKRZSA-N 2 2 322.815 3.096 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000162132312 432813259 /nfs/dbraw/zinc/81/32/59/432813259.db2.gz BLPBSGBHPNZKCF-YLJYHZDGSA-N 3 2 315.505 3.032 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000162132312 432813261 /nfs/dbraw/zinc/81/32/61/432813261.db2.gz BLPBSGBHPNZKCF-YLJYHZDGSA-N 3 2 315.505 3.032 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755105 432861404 /nfs/dbraw/zinc/86/14/04/432861404.db2.gz ZKFGATZQFQHDSG-HUUCEWRRSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755105 432861406 /nfs/dbraw/zinc/86/14/06/432861406.db2.gz ZKFGATZQFQHDSG-HUUCEWRRSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755105 432861407 /nfs/dbraw/zinc/86/14/07/432861407.db2.gz ZKFGATZQFQHDSG-HUUCEWRRSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755105 432861409 /nfs/dbraw/zinc/86/14/09/432861409.db2.gz ZKFGATZQFQHDSG-HUUCEWRRSA-N 2 2 308.853 3.277 20 0 DGADLP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000245919284 432869732 /nfs/dbraw/zinc/86/97/32/432869732.db2.gz GIVGCTOBNKJDDG-OALUTQOASA-N 3 2 319.537 3.392 20 0 DGADLP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000245919284 432869734 /nfs/dbraw/zinc/86/97/34/432869734.db2.gz GIVGCTOBNKJDDG-OALUTQOASA-N 3 2 319.537 3.392 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000277746890 432874022 /nfs/dbraw/zinc/87/40/22/432874022.db2.gz PHVPNWKACTVDOO-DOMZBBRYSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000277746890 432874024 /nfs/dbraw/zinc/87/40/24/432874024.db2.gz PHVPNWKACTVDOO-DOMZBBRYSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(F)cccc2Cl)CCCO1 ZINC000277888023 432877417 /nfs/dbraw/zinc/87/74/17/432877417.db2.gz OHZJZLGBUYBVLD-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(F)cccc2Cl)CCCO1 ZINC000277888023 432877418 /nfs/dbraw/zinc/87/74/18/432877418.db2.gz OHZJZLGBUYBVLD-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245593341 432848041 /nfs/dbraw/zinc/84/80/41/432848041.db2.gz GXDLVYSTPRTSFT-IUODEOHRSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245593341 432848043 /nfs/dbraw/zinc/84/80/43/432848043.db2.gz GXDLVYSTPRTSFT-IUODEOHRSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245726268 432859460 /nfs/dbraw/zinc/85/94/60/432859460.db2.gz ADZPJUZMEXEOBS-NJAFHUGGSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245726268 432859462 /nfs/dbraw/zinc/85/94/62/432859462.db2.gz ADZPJUZMEXEOBS-NJAFHUGGSA-N 2 2 302.462 3.054 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)o1 ZINC000279029271 432928092 /nfs/dbraw/zinc/92/80/92/432928092.db2.gz VXAMRZLCLIVOFH-DCGLDWPTSA-N 2 2 303.406 3.146 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)o1 ZINC000279029275 432928586 /nfs/dbraw/zinc/92/85/86/432928586.db2.gz VXAMRZLCLIVOFH-GDZNZVCISA-N 2 2 303.406 3.146 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000289296735 432942000 /nfs/dbraw/zinc/94/20/00/432942000.db2.gz RRDPMYONXVVLRD-OZVIIMIRSA-N 2 2 304.409 3.036 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000289296735 432942002 /nfs/dbraw/zinc/94/20/02/432942002.db2.gz RRDPMYONXVVLRD-OZVIIMIRSA-N 2 2 304.409 3.036 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000289314976 432943706 /nfs/dbraw/zinc/94/37/06/432943706.db2.gz SLMQGKOWUBIHOB-UHFFFAOYSA-N 2 2 323.440 3.239 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000289060759 432918702 /nfs/dbraw/zinc/91/87/02/432918702.db2.gz BVZHLPXTXQOKTO-QGZVFWFLSA-N 2 2 304.821 3.299 20 0 DGADLP CCSc1cccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000349633439 432983568 /nfs/dbraw/zinc/98/35/68/432983568.db2.gz RVFNDCBSQPQTTD-IYBDPMFKSA-N 2 2 322.518 3.388 20 0 DGADLP CCSc1cccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000349633439 432983570 /nfs/dbraw/zinc/98/35/70/432983570.db2.gz RVFNDCBSQPQTTD-IYBDPMFKSA-N 2 2 322.518 3.388 20 0 DGADLP Clc1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c1)OCC2 ZINC000341192304 432988362 /nfs/dbraw/zinc/98/83/62/432988362.db2.gz RZRZPERMNTWMBV-AWEZNQCLSA-N 2 2 320.864 3.193 20 0 DGADLP Clc1cc2c(c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c1)OCC2 ZINC000341192304 432988364 /nfs/dbraw/zinc/98/83/64/432988364.db2.gz RZRZPERMNTWMBV-AWEZNQCLSA-N 2 2 320.864 3.193 20 0 DGADLP COc1cccc(O[C@@H](C)C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289373807 432951569 /nfs/dbraw/zinc/95/15/69/432951569.db2.gz AQZBMVVMIXRFTA-INIZCTEOSA-N 2 2 314.429 3.388 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C2CCC2)o1 ZINC000349447169 432961816 /nfs/dbraw/zinc/96/18/16/432961816.db2.gz CBVCIHZWPOLADF-PKOBYXMFSA-N 2 2 320.477 3.112 20 0 DGADLP COc1ccccc1O[C@@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290203351 433012824 /nfs/dbraw/zinc/01/28/24/433012824.db2.gz DFRYIDAHMCOUFX-INIZCTEOSA-N 2 2 314.429 3.388 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccon1)c1cccc(OCC[NH+](C)C)c1 ZINC000349829159 433017239 /nfs/dbraw/zinc/01/72/39/433017239.db2.gz BYVMJQVJEWZJQS-KGLIPLIRSA-N 2 2 303.406 3.027 20 0 DGADLP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000341304409 433021503 /nfs/dbraw/zinc/02/15/03/433021503.db2.gz PNIAOAQEGPBTCN-UONOGXRCSA-N 2 2 310.869 3.053 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cscc1Br ZINC000290313743 433030423 /nfs/dbraw/zinc/03/04/23/433030423.db2.gz CIXWQYSTHHJBME-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cscc1Br ZINC000290313743 433030425 /nfs/dbraw/zinc/03/04/25/433030425.db2.gz CIXWQYSTHHJBME-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000333198619 433039481 /nfs/dbraw/zinc/03/94/81/433039481.db2.gz QHESLQPWAQGJBQ-HNNXBMFYSA-N 2 2 304.438 3.003 20 0 DGADLP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000333198619 433039486 /nfs/dbraw/zinc/03/94/86/433039486.db2.gz QHESLQPWAQGJBQ-HNNXBMFYSA-N 2 2 304.438 3.003 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393945 433043178 /nfs/dbraw/zinc/04/31/78/433043178.db2.gz IYZQEYRTBUMQKU-RISCZKNCSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393945 433043183 /nfs/dbraw/zinc/04/31/83/433043183.db2.gz IYZQEYRTBUMQKU-RISCZKNCSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393945 433043185 /nfs/dbraw/zinc/04/31/85/433043185.db2.gz IYZQEYRTBUMQKU-RISCZKNCSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393945 433043190 /nfs/dbraw/zinc/04/31/90/433043190.db2.gz IYZQEYRTBUMQKU-RISCZKNCSA-N 2 2 316.367 3.199 20 0 DGADLP Cc1ccncc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000280386146 433044179 /nfs/dbraw/zinc/04/41/79/433044179.db2.gz UQZDMPRMKJPPAO-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2csc(Br)c2)CC1 ZINC000350014004 433051433 /nfs/dbraw/zinc/05/14/33/433051433.db2.gz VVNCSUNKDLSRPD-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2csc(Br)c2)CC1 ZINC000350014004 433051438 /nfs/dbraw/zinc/05/14/38/433051438.db2.gz VVNCSUNKDLSRPD-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000290487572 433067932 /nfs/dbraw/zinc/06/79/32/433067932.db2.gz VQVXTZPLOWIGDQ-IBGZPJMESA-N 2 2 310.441 3.426 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000337383631 289363975 /nfs/dbraw/zinc/36/39/75/289363975.db2.gz KCQQYMJLYPPLKB-RBUKOAKNSA-N 2 2 316.489 3.098 20 0 DGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341459438 433071673 /nfs/dbraw/zinc/07/16/73/433071673.db2.gz NUVRWUXOCLESJL-HXUWFJFHSA-N 2 2 307.441 3.323 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361286481 433079874 /nfs/dbraw/zinc/07/98/74/433079874.db2.gz DEADFEDFFSCFSH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361286481 433079879 /nfs/dbraw/zinc/07/98/79/433079879.db2.gz DEADFEDFFSCFSH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361286481 433079884 /nfs/dbraw/zinc/07/98/84/433079884.db2.gz DEADFEDFFSCFSH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361286481 433079888 /nfs/dbraw/zinc/07/98/88/433079888.db2.gz DEADFEDFFSCFSH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000453316329 433087837 /nfs/dbraw/zinc/08/78/37/433087837.db2.gz KFOFIPNNHIITMI-YJBOKZPZSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000453316329 433087846 /nfs/dbraw/zinc/08/78/46/433087846.db2.gz KFOFIPNNHIITMI-YJBOKZPZSA-N 2 2 315.486 3.452 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000280566355 433090338 /nfs/dbraw/zinc/09/03/38/433090338.db2.gz LJGVVTUMRZAWKU-SJLPKXTDSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000280566355 433090347 /nfs/dbraw/zinc/09/03/47/433090347.db2.gz LJGVVTUMRZAWKU-SJLPKXTDSA-N 2 2 313.489 3.118 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420228566 433131077 /nfs/dbraw/zinc/13/10/77/433131077.db2.gz LSMGTQBFTGWQRZ-RRFJBIMHSA-N 2 2 316.493 3.461 20 0 DGADLP CC(C)C[C@@H](CCO)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361368634 433134768 /nfs/dbraw/zinc/13/47/68/433134768.db2.gz RQDNVXMVTWIQRM-CQSZACIVSA-N 2 2 324.431 3.038 20 0 DGADLP CC(C)c1nc(N2CC[NH2+]C[C@](C)(F)C2)cc(C(C)(C)C)[nH+]1 ZINC000420256836 433138335 /nfs/dbraw/zinc/13/83/35/433138335.db2.gz DERYJUYCVOXYKL-KRWDZBQOSA-N 2 2 308.445 3.035 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000361390433 433146143 /nfs/dbraw/zinc/14/61/43/433146143.db2.gz MCJODTSRZVBRCN-RBUKOAKNSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000361390433 433146157 /nfs/dbraw/zinc/14/61/57/433146157.db2.gz MCJODTSRZVBRCN-RBUKOAKNSA-N 2 2 315.461 3.360 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000420297126 433151090 /nfs/dbraw/zinc/15/10/90/433151090.db2.gz FNDIWZFUVSDGBN-SKDRFNHKSA-N 2 2 315.280 3.265 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000420297126 433151098 /nfs/dbraw/zinc/15/10/98/433151098.db2.gz FNDIWZFUVSDGBN-SKDRFNHKSA-N 2 2 315.280 3.265 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc2c(s1)CCCC2 ZINC000453341962 433102980 /nfs/dbraw/zinc/10/29/80/433102980.db2.gz HVDXAVZUGILWFE-FUDCBSFHSA-N 2 2 305.491 3.298 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc2c(s1)CCCC2 ZINC000453341962 433102986 /nfs/dbraw/zinc/10/29/86/433102986.db2.gz HVDXAVZUGILWFE-FUDCBSFHSA-N 2 2 305.491 3.298 20 0 DGADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000446804579 433104619 /nfs/dbraw/zinc/10/46/19/433104619.db2.gz UQOGGRNADDONRF-GFCCVEGCSA-N 2 2 307.800 3.213 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)s1 ZINC000453559038 433209163 /nfs/dbraw/zinc/20/91/63/433209163.db2.gz DSTNIBPAOOMJGR-LLVKDONJSA-N 2 2 317.296 3.203 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)s1 ZINC000453559038 433209173 /nfs/dbraw/zinc/20/91/73/433209173.db2.gz DSTNIBPAOOMJGR-LLVKDONJSA-N 2 2 317.296 3.203 20 0 DGADLP COc1cc(C[N@H+](C)C[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000420318236 433159165 /nfs/dbraw/zinc/15/91/65/433159165.db2.gz ODPMIYALAUHHNK-OAHLLOKOSA-N 2 2 314.429 3.053 20 0 DGADLP COc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000420318236 433159174 /nfs/dbraw/zinc/15/91/74/433159174.db2.gz ODPMIYALAUHHNK-OAHLLOKOSA-N 2 2 314.429 3.053 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000425323279 433161054 /nfs/dbraw/zinc/16/10/54/433161054.db2.gz IVHXOUTUWONMOU-BBWFWOEESA-N 2 2 304.482 3.301 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000425323279 433161066 /nfs/dbraw/zinc/16/10/66/433161066.db2.gz IVHXOUTUWONMOU-BBWFWOEESA-N 2 2 304.482 3.301 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000354582938 433163289 /nfs/dbraw/zinc/16/32/89/433163289.db2.gz ICFDIOSSBNEYRR-HOTGVXAUSA-N 2 2 315.461 3.301 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc1 ZINC000453408695 433163901 /nfs/dbraw/zinc/16/39/01/433163901.db2.gz FQUZKCGKIUCUQB-YLJYHZDGSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc1 ZINC000453408695 433163912 /nfs/dbraw/zinc/16/39/12/433163912.db2.gz FQUZKCGKIUCUQB-YLJYHZDGSA-N 2 2 309.457 3.358 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1(C[NH3+])CCC1 ZINC000420322405 433164576 /nfs/dbraw/zinc/16/45/76/433164576.db2.gz DZZFHECYERTFIO-UHFFFAOYSA-N 2 2 323.440 3.252 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1(C[NH3+])CCC1 ZINC000420322405 433164588 /nfs/dbraw/zinc/16/45/88/433164588.db2.gz DZZFHECYERTFIO-UHFFFAOYSA-N 2 2 323.440 3.252 20 0 DGADLP CCc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)cc1 ZINC000341606732 433164638 /nfs/dbraw/zinc/16/46/38/433164638.db2.gz CBPDXDZTASNTTP-GOSISDBHSA-N 2 2 316.493 3.108 20 0 DGADLP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)O1 ZINC000453411265 433166317 /nfs/dbraw/zinc/16/63/17/433166317.db2.gz QORIIGDCOFUCJJ-KBXCAEBGSA-N 2 2 322.880 3.462 20 0 DGADLP CC[C@@H]1c2ccsc2CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331175 433166812 /nfs/dbraw/zinc/16/68/12/433166812.db2.gz XBZIWQRRUKMAAM-CQSZACIVSA-N 2 2 304.463 3.057 20 0 DGADLP CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331175 433166821 /nfs/dbraw/zinc/16/68/21/433166821.db2.gz XBZIWQRRUKMAAM-CQSZACIVSA-N 2 2 304.463 3.057 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1C ZINC000420334731 433170399 /nfs/dbraw/zinc/17/03/99/433170399.db2.gz LCDUTZZTRDSZIK-SJKOYZFVSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1C ZINC000420334731 433170410 /nfs/dbraw/zinc/17/04/10/433170410.db2.gz LCDUTZZTRDSZIK-SJKOYZFVSA-N 2 2 302.462 3.374 20 0 DGADLP CCC[N@@H+](CCc1cccs1)Cc1c[nH+]c(N(C)C)n1C ZINC000425337046 433172594 /nfs/dbraw/zinc/17/25/94/433172594.db2.gz MJFXIHXQRMOLGI-UHFFFAOYSA-N 2 2 306.479 3.002 20 0 DGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335613 433173248 /nfs/dbraw/zinc/17/32/48/433173248.db2.gz IYBLQNLYWJOKPZ-GUYCJALGSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335613 433173258 /nfs/dbraw/zinc/17/32/58/433173258.db2.gz IYBLQNLYWJOKPZ-GUYCJALGSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335217 433173596 /nfs/dbraw/zinc/17/35/96/433173596.db2.gz IEBPPVPASSSDIF-CXAGYDPISA-N 2 2 316.424 3.208 20 0 DGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335217 433173605 /nfs/dbraw/zinc/17/36/05/433173605.db2.gz IEBPPVPASSSDIF-CXAGYDPISA-N 2 2 316.424 3.208 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420359167 433175531 /nfs/dbraw/zinc/17/55/31/433175531.db2.gz GCTIYQXMPIOGSQ-VCBZYWHSSA-N 2 2 311.429 3.350 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000420353011 433176070 /nfs/dbraw/zinc/17/60/70/433176070.db2.gz ACMFQJFJQGOEFG-XUJVJEKNSA-N 2 2 316.367 3.104 20 0 DGADLP Cc1cccc2nc(NCC[NH+]3CCC([NH+](C)C)CC3)sc21 ZINC000280797982 433177187 /nfs/dbraw/zinc/17/71/87/433177187.db2.gz VLKMZXKKKJPALD-UHFFFAOYSA-N 2 2 318.490 3.043 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)n1C ZINC000425341852 433177782 /nfs/dbraw/zinc/17/77/82/433177782.db2.gz FAOHCTMCHHMRPD-KRWDZBQOSA-N 2 2 312.461 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)n1C ZINC000425341852 433177789 /nfs/dbraw/zinc/17/77/89/433177789.db2.gz FAOHCTMCHHMRPD-KRWDZBQOSA-N 2 2 312.461 3.254 20 0 DGADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425341338 433177839 /nfs/dbraw/zinc/17/78/39/433177839.db2.gz XAEWVNIYVJDYIF-GOSISDBHSA-N 2 2 312.461 3.440 20 0 DGADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425341338 433177846 /nfs/dbraw/zinc/17/78/46/433177846.db2.gz XAEWVNIYVJDYIF-GOSISDBHSA-N 2 2 312.461 3.440 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453430101 433177886 /nfs/dbraw/zinc/17/78/86/433177886.db2.gz QZHPKLBNRZBANY-BHIYHBOVSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453430101 433177894 /nfs/dbraw/zinc/17/78/94/433177894.db2.gz QZHPKLBNRZBANY-BHIYHBOVSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1C ZINC000425339690 433178712 /nfs/dbraw/zinc/17/87/12/433178712.db2.gz TVZBLBHGRYWADI-GOSISDBHSA-N 2 2 312.461 3.440 20 0 DGADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1C ZINC000425339690 433178719 /nfs/dbraw/zinc/17/87/19/433178719.db2.gz TVZBLBHGRYWADI-GOSISDBHSA-N 2 2 312.461 3.440 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000453430097 433178684 /nfs/dbraw/zinc/17/86/84/433178684.db2.gz QXYWJSNZFPAKLY-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000453430097 433178691 /nfs/dbraw/zinc/17/86/91/433178691.db2.gz QXYWJSNZFPAKLY-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000420361580 433181510 /nfs/dbraw/zinc/18/15/10/433181510.db2.gz HZUJBHZQZGBIBW-RULNRJAQSA-N 2 2 315.230 3.064 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000420365072 433182113 /nfs/dbraw/zinc/18/21/13/433182113.db2.gz KSBNKJPJPYKRRQ-ISTVAULSSA-N 2 2 315.230 3.064 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420370669 433182981 /nfs/dbraw/zinc/18/29/81/433182981.db2.gz PABPLZOXCGQRJJ-ZXFNITATSA-N 2 2 317.477 3.113 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000420378188 433187480 /nfs/dbraw/zinc/18/74/80/433187480.db2.gz XAJKXZZOZKKFKS-GYSYKLTISA-N 2 2 302.340 3.061 20 0 DGADLP c1csc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)no2)c1 ZINC000420380540 433189260 /nfs/dbraw/zinc/18/92/60/433189260.db2.gz CDJXDRQLIKMXOZ-UKRRQHHQSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)no2)c1 ZINC000420380540 433189267 /nfs/dbraw/zinc/18/92/67/433189267.db2.gz CDJXDRQLIKMXOZ-UKRRQHHQSA-N 2 2 317.458 3.367 20 0 DGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000420377691 433189410 /nfs/dbraw/zinc/18/94/10/433189410.db2.gz QAWVMJNRHWXFMQ-GOSISDBHSA-N 2 2 315.392 3.056 20 0 DGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000420377691 433189416 /nfs/dbraw/zinc/18/94/16/433189416.db2.gz QAWVMJNRHWXFMQ-GOSISDBHSA-N 2 2 315.392 3.056 20 0 DGADLP CCC[N@H+](CCCc1ccc(C)[nH+]c1)CC(=O)OC(C)(C)C ZINC000354663708 433210412 /nfs/dbraw/zinc/21/04/12/433210412.db2.gz YHUUZXWRTSOEKA-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP CCC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(=O)OC(C)(C)C ZINC000354663708 433210422 /nfs/dbraw/zinc/21/04/22/433210422.db2.gz YHUUZXWRTSOEKA-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640798 433191253 /nfs/dbraw/zinc/19/12/53/433191253.db2.gz XSFQGKXYVIXMGV-UZLBHIALSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640798 433191263 /nfs/dbraw/zinc/19/12/63/433191263.db2.gz XSFQGKXYVIXMGV-UZLBHIALSA-N 2 2 316.489 3.302 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)ccc1OC(C)C ZINC000341653828 433191276 /nfs/dbraw/zinc/19/12/76/433191276.db2.gz FBCHRGIIZLRSEP-CQSZACIVSA-N 2 2 303.406 3.030 20 0 DGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000453451713 433195358 /nfs/dbraw/zinc/19/53/58/433195358.db2.gz RRRMVNCCPNOVCP-RBUKOAKNSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)o1 ZINC000420414169 433200241 /nfs/dbraw/zinc/20/02/41/433200241.db2.gz UKQCCLFLWGGLCL-DGCLKSJQSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)o1 ZINC000420414169 433200250 /nfs/dbraw/zinc/20/02/50/433200250.db2.gz UKQCCLFLWGGLCL-DGCLKSJQSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416275 433201525 /nfs/dbraw/zinc/20/15/25/433201525.db2.gz VRIRGRCMFNAOCH-RISCZKNCSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416275 433201528 /nfs/dbraw/zinc/20/15/28/433201528.db2.gz VRIRGRCMFNAOCH-RISCZKNCSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)C(C)C ZINC000420415299 433202292 /nfs/dbraw/zinc/20/22/92/433202292.db2.gz VCEBWTOVIJYXLK-HNNXBMFYSA-N 2 2 302.422 3.059 20 0 DGADLP c1ccc(N2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)[nH+]c1 ZINC000425370582 433204673 /nfs/dbraw/zinc/20/46/73/433204673.db2.gz OQFCXGUOAJZHGC-UHFFFAOYSA-N 2 2 323.444 3.158 20 0 DGADLP COCC1(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000337270829 433218762 /nfs/dbraw/zinc/21/87/62/433218762.db2.gz ZZYBRSRASYIXNF-AEFFLSMTSA-N 2 2 302.462 3.228 20 0 DGADLP COCC1(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000337270829 433218770 /nfs/dbraw/zinc/21/87/70/433218770.db2.gz ZZYBRSRASYIXNF-AEFFLSMTSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374567349 433225431 /nfs/dbraw/zinc/22/54/31/433225431.db2.gz XQANSPMOTJQXFG-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000374567349 433225442 /nfs/dbraw/zinc/22/54/42/433225442.db2.gz XQANSPMOTJQXFG-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447600510 433243100 /nfs/dbraw/zinc/24/31/00/433243100.db2.gz MMXRVLDGEYUPKC-LPHOPBHVSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447600510 433243110 /nfs/dbraw/zinc/24/31/10/433243110.db2.gz MMXRVLDGEYUPKC-LPHOPBHVSA-N 2 2 300.446 3.289 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569020 433249903 /nfs/dbraw/zinc/24/99/03/433249903.db2.gz ZGWJVEJWOUVSMW-NWDGAFQWSA-N 2 2 315.255 3.347 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569020 433249910 /nfs/dbraw/zinc/24/99/10/433249910.db2.gz ZGWJVEJWOUVSMW-NWDGAFQWSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569020 433249915 /nfs/dbraw/zinc/24/99/15/433249915.db2.gz ZGWJVEJWOUVSMW-NWDGAFQWSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569020 433249923 /nfs/dbraw/zinc/24/99/23/433249923.db2.gz ZGWJVEJWOUVSMW-NWDGAFQWSA-N 2 2 315.255 3.347 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718310 433264888 /nfs/dbraw/zinc/26/48/88/433264888.db2.gz LWHWKALOHJFOPG-MAUKXSAKSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718310 433264895 /nfs/dbraw/zinc/26/48/95/433264895.db2.gz LWHWKALOHJFOPG-MAUKXSAKSA-N 2 2 324.472 3.110 20 0 DGADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915953 433314430 /nfs/dbraw/zinc/31/44/30/433314430.db2.gz NIGIWOMIKXMWBK-DLBZAZTESA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915953 433314438 /nfs/dbraw/zinc/31/44/38/433314438.db2.gz NIGIWOMIKXMWBK-DLBZAZTESA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC000420915956 433315042 /nfs/dbraw/zinc/31/50/42/433315042.db2.gz NIGIWOMIKXMWBK-SJORKVTESA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC000420915956 433315048 /nfs/dbraw/zinc/31/50/48/433315048.db2.gz NIGIWOMIKXMWBK-SJORKVTESA-N 2 2 302.462 3.139 20 0 DGADLP CCc1nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc(C)[nH+]1 ZINC000341854732 433319205 /nfs/dbraw/zinc/31/92/05/433319205.db2.gz TVMXANJIXZACRB-KRWDZBQOSA-N 2 2 316.493 3.296 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999463 433270975 /nfs/dbraw/zinc/27/09/75/433270975.db2.gz OTDNGMCLNRZYHF-AZUAARDMSA-N 2 2 314.473 3.035 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999463 433270981 /nfs/dbraw/zinc/27/09/81/433270981.db2.gz OTDNGMCLNRZYHF-AZUAARDMSA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999463 433270987 /nfs/dbraw/zinc/27/09/87/433270987.db2.gz OTDNGMCLNRZYHF-AZUAARDMSA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999463 433270996 /nfs/dbraw/zinc/27/09/96/433270996.db2.gz OTDNGMCLNRZYHF-AZUAARDMSA-N 2 2 314.473 3.035 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595222 433277369 /nfs/dbraw/zinc/27/73/69/433277369.db2.gz TZYKDAMOEWUWTJ-IEBWSBKVSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595222 433277376 /nfs/dbraw/zinc/27/73/76/433277376.db2.gz TZYKDAMOEWUWTJ-IEBWSBKVSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595222 433277382 /nfs/dbraw/zinc/27/73/82/433277382.db2.gz TZYKDAMOEWUWTJ-IEBWSBKVSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595222 433277388 /nfs/dbraw/zinc/27/73/88/433277388.db2.gz TZYKDAMOEWUWTJ-IEBWSBKVSA-N 2 2 300.446 3.001 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000338231760 433284655 /nfs/dbraw/zinc/28/46/55/433284655.db2.gz FIKJKUZVGYYGKU-IBGZPJMESA-N 3 2 309.542 3.162 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000338231760 433284666 /nfs/dbraw/zinc/28/46/66/433284666.db2.gz FIKJKUZVGYYGKU-IBGZPJMESA-N 3 2 309.542 3.162 20 0 DGADLP [NH3+]CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000361608481 433287452 /nfs/dbraw/zinc/28/74/52/433287452.db2.gz FSTYUOXCSYQJFX-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637292 433292474 /nfs/dbraw/zinc/29/24/74/433292474.db2.gz SUWNABPKBFQDRA-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637292 433292481 /nfs/dbraw/zinc/29/24/81/433292481.db2.gz SUWNABPKBFQDRA-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637292 433292487 /nfs/dbraw/zinc/29/24/87/433292487.db2.gz SUWNABPKBFQDRA-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637292 433292494 /nfs/dbraw/zinc/29/24/94/433292494.db2.gz SUWNABPKBFQDRA-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000447835435 433292663 /nfs/dbraw/zinc/29/26/63/433292663.db2.gz UBBZWZITPLZWDV-FUHWJXTLSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000447835435 433292673 /nfs/dbraw/zinc/29/26/73/433292673.db2.gz UBBZWZITPLZWDV-FUHWJXTLSA-N 2 2 313.445 3.306 20 0 DGADLP C[N@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906846 433302510 /nfs/dbraw/zinc/30/25/10/433302510.db2.gz UGTGEFXUONBPMG-UHFFFAOYSA-N 2 2 310.441 3.151 20 0 DGADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906846 433302522 /nfs/dbraw/zinc/30/25/22/433302522.db2.gz UGTGEFXUONBPMG-UHFFFAOYSA-N 2 2 310.441 3.151 20 0 DGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1c[nH+]c2cccc(C)n12 ZINC000361637743 433304467 /nfs/dbraw/zinc/30/44/67/433304467.db2.gz VAZMRKKYPUSPNK-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP COc1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1C ZINC000447855811 433305966 /nfs/dbraw/zinc/30/59/66/433305966.db2.gz VBMSBSDRPUUMLL-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000414058326 433363877 /nfs/dbraw/zinc/36/38/77/433363877.db2.gz HBBKMKQZNJYLSE-JKSUJKDBSA-N 2 2 315.461 3.449 20 0 DGADLP c1cc(C[NH+](C2CCC2)C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420980425 433365014 /nfs/dbraw/zinc/36/50/14/433365014.db2.gz WREAFHRUAIKPJB-UHFFFAOYSA-N 2 2 314.473 3.426 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000414053625 433366228 /nfs/dbraw/zinc/36/62/28/433366228.db2.gz AXINZVCFZOKIGN-OAHLLOKOSA-N 2 2 313.445 3.430 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414061062 433369188 /nfs/dbraw/zinc/36/91/88/433369188.db2.gz KALAGJJPJWPFDE-INIZCTEOSA-N 2 2 312.461 3.002 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414061062 433369197 /nfs/dbraw/zinc/36/91/97/433369197.db2.gz KALAGJJPJWPFDE-INIZCTEOSA-N 2 2 312.461 3.002 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068788 433371400 /nfs/dbraw/zinc/37/14/00/433371400.db2.gz ISJVSCSGWZWKSL-HUUCEWRRSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068788 433371405 /nfs/dbraw/zinc/37/14/05/433371405.db2.gz ISJVSCSGWZWKSL-HUUCEWRRSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341874905 433332115 /nfs/dbraw/zinc/33/21/15/433332115.db2.gz KXFIAGLDIGWVST-ZHALLVOQSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341874905 433332123 /nfs/dbraw/zinc/33/21/23/433332123.db2.gz KXFIAGLDIGWVST-ZHALLVOQSA-N 2 2 302.462 3.150 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000339065979 433335217 /nfs/dbraw/zinc/33/52/17/433335217.db2.gz DATQESGBGCWBQO-AQNXPRMDSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000339065979 433335224 /nfs/dbraw/zinc/33/52/24/433335224.db2.gz DATQESGBGCWBQO-AQNXPRMDSA-N 2 2 307.441 3.387 20 0 DGADLP CC1(C)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341891530 433341347 /nfs/dbraw/zinc/34/13/47/433341347.db2.gz OALAXSSBHIJGMW-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341891530 433341359 /nfs/dbraw/zinc/34/13/59/433341359.db2.gz OALAXSSBHIJGMW-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341891530 433341374 /nfs/dbraw/zinc/34/13/74/433341374.db2.gz OALAXSSBHIJGMW-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341891530 433341383 /nfs/dbraw/zinc/34/13/83/433341383.db2.gz OALAXSSBHIJGMW-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896548 433344258 /nfs/dbraw/zinc/34/42/58/433344258.db2.gz OKCAOPKSNXFANH-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896548 433344265 /nfs/dbraw/zinc/34/42/65/433344265.db2.gz OKCAOPKSNXFANH-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896548 433344272 /nfs/dbraw/zinc/34/42/72/433344272.db2.gz OKCAOPKSNXFANH-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896548 433344280 /nfs/dbraw/zinc/34/42/80/433344280.db2.gz OKCAOPKSNXFANH-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000339184896 433425868 /nfs/dbraw/zinc/42/58/68/433425868.db2.gz OIDNBROUEJHWPC-CYBMUJFWSA-N 2 2 313.536 3.218 20 0 DGADLP Cc1cc(NCc2ccc(N3CCCCCC3)[nH+]c2)nc(C)[nH+]1 ZINC000301123549 433426217 /nfs/dbraw/zinc/42/62/17/433426217.db2.gz YJELTMSMIRXKNH-UHFFFAOYSA-N 2 2 311.433 3.481 20 0 DGADLP C(=C\c1ccncc1)\C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167760 433432176 /nfs/dbraw/zinc/43/21/76/433432176.db2.gz MYPZQBQVZVMLTC-LIMHQNJXSA-N 2 2 308.429 3.117 20 0 DGADLP C(=C\c1ccncc1)\C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167760 433432185 /nfs/dbraw/zinc/43/21/85/433432185.db2.gz MYPZQBQVZVMLTC-LIMHQNJXSA-N 2 2 308.429 3.117 20 0 DGADLP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000354977819 433387416 /nfs/dbraw/zinc/38/74/16/433387416.db2.gz XJFLFGVGOZKMHL-CQSZACIVSA-N 2 2 315.383 3.367 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1C[C@H]1C ZINC000414095114 433390775 /nfs/dbraw/zinc/39/07/75/433390775.db2.gz JKUHHVWXVAGEFU-XBVQOTNRSA-N 2 2 302.466 3.068 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414103423 433396821 /nfs/dbraw/zinc/39/68/21/433396821.db2.gz DPQOTDOXYDPCEQ-PMPSAXMXSA-N 2 2 316.493 3.133 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414103423 433396833 /nfs/dbraw/zinc/39/68/33/433396833.db2.gz DPQOTDOXYDPCEQ-PMPSAXMXSA-N 2 2 316.493 3.133 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000426002573 433400521 /nfs/dbraw/zinc/40/05/21/433400521.db2.gz PHEPVQHOMBRSFW-NSCUHMNNSA-N 2 2 309.413 3.342 20 0 DGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)oc2c1 ZINC000426018031 433404654 /nfs/dbraw/zinc/40/46/54/433404654.db2.gz FAZPOKVHNQBQKL-CVEARBPZSA-N 2 2 316.445 3.360 20 0 DGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1Br ZINC000414121104 433408227 /nfs/dbraw/zinc/40/82/27/433408227.db2.gz FZWHFBNIIZWPJF-HNNXBMFYSA-N 2 2 322.250 3.466 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000339210096 433436352 /nfs/dbraw/zinc/43/63/52/433436352.db2.gz LVEXDSYVBSXURV-IXDOHACOSA-N 2 2 321.465 3.011 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000342094573 433465434 /nfs/dbraw/zinc/46/54/34/433465434.db2.gz XIGHRUIFJGBMNT-NUEKZKHPSA-N 2 2 307.507 3.291 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000342094573 433465441 /nfs/dbraw/zinc/46/54/41/433465441.db2.gz XIGHRUIFJGBMNT-NUEKZKHPSA-N 2 2 307.507 3.291 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000361943766 433463020 /nfs/dbraw/zinc/46/30/20/433463020.db2.gz LHSTZEOKQMMVRJ-CYBMUJFWSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000361943766 433463036 /nfs/dbraw/zinc/46/30/36/433463036.db2.gz LHSTZEOKQMMVRJ-CYBMUJFWSA-N 2 2 320.234 3.172 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000414229832 433472011 /nfs/dbraw/zinc/47/20/11/433472011.db2.gz FQPXKHPZNWWUGV-FVCZOJIISA-N 2 2 316.489 3.300 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000414229832 433472018 /nfs/dbraw/zinc/47/20/18/433472018.db2.gz FQPXKHPZNWWUGV-FVCZOJIISA-N 2 2 316.489 3.300 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237977 433477343 /nfs/dbraw/zinc/47/73/43/433477343.db2.gz LWUNVMYVPHMONX-FVCZOJIISA-N 2 2 316.489 3.443 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237977 433477351 /nfs/dbraw/zinc/47/73/51/433477351.db2.gz LWUNVMYVPHMONX-FVCZOJIISA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414281607 433510235 /nfs/dbraw/zinc/51/02/35/433510235.db2.gz MSUJNDPPJNTKFU-PSBWJHGTSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414281607 433510239 /nfs/dbraw/zinc/51/02/39/433510239.db2.gz MSUJNDPPJNTKFU-PSBWJHGTSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)C[NH+](C)C ZINC000342217294 433540953 /nfs/dbraw/zinc/54/09/53/433540953.db2.gz QQRVGGCUQWCKCD-QWRGUYRKSA-N 2 2 317.246 3.059 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)cc[nH+]1 ZINC000351473441 433519681 /nfs/dbraw/zinc/51/96/81/433519681.db2.gz UMELYCYGMRIZSS-LJQANCHMSA-N 2 2 324.424 3.102 20 0 DGADLP c1cc(O[C@@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)cc[nH+]1 ZINC000351473441 433519691 /nfs/dbraw/zinc/51/96/91/433519691.db2.gz UMELYCYGMRIZSS-LJQANCHMSA-N 2 2 324.424 3.102 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342215088 433541143 /nfs/dbraw/zinc/54/11/43/433541143.db2.gz JTIXONSQTQPWCZ-MRXNPFEDSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342215088 433541150 /nfs/dbraw/zinc/54/11/50/433541150.db2.gz JTIXONSQTQPWCZ-MRXNPFEDSA-N 2 2 310.445 3.058 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282187808 433522373 /nfs/dbraw/zinc/52/23/73/433522373.db2.gz NFFRUVMWKMEVSC-ROUUACIJSA-N 2 2 302.462 3.228 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474090 433523135 /nfs/dbraw/zinc/52/31/35/433523135.db2.gz YFNGYTGSJPODOG-GOSISDBHSA-N 2 2 324.472 3.105 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474090 433523142 /nfs/dbraw/zinc/52/31/42/433523142.db2.gz YFNGYTGSJPODOG-GOSISDBHSA-N 2 2 324.472 3.105 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474090 433523150 /nfs/dbraw/zinc/52/31/50/433523150.db2.gz YFNGYTGSJPODOG-GOSISDBHSA-N 2 2 324.472 3.105 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474090 433523160 /nfs/dbraw/zinc/52/31/60/433523160.db2.gz YFNGYTGSJPODOG-GOSISDBHSA-N 2 2 324.472 3.105 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H](O)C(C)C ZINC000414304492 433528768 /nfs/dbraw/zinc/52/87/68/433528768.db2.gz WGMCUAYSNSDVET-OQIJWPOYSA-N 2 2 304.478 3.035 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H](O)C(C)C ZINC000414304492 433528772 /nfs/dbraw/zinc/52/87/72/433528772.db2.gz WGMCUAYSNSDVET-OQIJWPOYSA-N 2 2 304.478 3.035 20 0 DGADLP CCc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355206737 433536156 /nfs/dbraw/zinc/53/61/56/433536156.db2.gz MHTBYJYIXVPNLH-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355206737 433536164 /nfs/dbraw/zinc/53/61/64/433536164.db2.gz MHTBYJYIXVPNLH-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000355206737 433536173 /nfs/dbraw/zinc/53/61/73/433536173.db2.gz MHTBYJYIXVPNLH-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000355206737 433536178 /nfs/dbraw/zinc/53/61/78/433536178.db2.gz MHTBYJYIXVPNLH-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]CC(C)(C)COC)c(C)c2)CC1 ZINC000426398858 433485768 /nfs/dbraw/zinc/48/57/68/433485768.db2.gz ZEPHCVBTLOKGGT-UHFFFAOYSA-N 2 2 319.493 3.221 20 0 DGADLP CC(C)(COCc1ccccc1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000282117995 433504652 /nfs/dbraw/zinc/50/46/52/433504652.db2.gz FHMMRYQXKRNVMV-UHFFFAOYSA-N 2 2 309.413 3.419 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000339292873 433505677 /nfs/dbraw/zinc/50/56/77/433505677.db2.gz BGVMFCSELCSTTD-QZWWFDLISA-N 2 2 322.493 3.103 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000339292873 433505682 /nfs/dbraw/zinc/50/56/82/433505682.db2.gz BGVMFCSELCSTTD-QZWWFDLISA-N 2 2 322.493 3.103 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414283677 433509305 /nfs/dbraw/zinc/50/93/05/433509305.db2.gz PKTLZDFITKRUBQ-WCWVYFQPSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414283677 433509307 /nfs/dbraw/zinc/50/93/07/433509307.db2.gz PKTLZDFITKRUBQ-WCWVYFQPSA-N 2 2 302.462 3.053 20 0 DGADLP CCOCC[NH+]1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342230769 433550999 /nfs/dbraw/zinc/55/09/99/433550999.db2.gz UBDMBTAWIPLEKU-UHFFFAOYSA-N 2 2 319.836 3.047 20 0 DGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000414339306 433553780 /nfs/dbraw/zinc/55/37/80/433553780.db2.gz SKSLPIUBNAYQEN-UHFFFAOYSA-N 2 2 310.445 3.013 20 0 DGADLP Cc1cncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375767261 433559275 /nfs/dbraw/zinc/55/92/75/433559275.db2.gz CGPYPDPCTNKGBD-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375767261 433559288 /nfs/dbraw/zinc/55/92/88/433559288.db2.gz CGPYPDPCTNKGBD-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000375767261 433559293 /nfs/dbraw/zinc/55/92/93/433559293.db2.gz CGPYPDPCTNKGBD-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000375767261 433559303 /nfs/dbraw/zinc/55/93/03/433559303.db2.gz CGPYPDPCTNKGBD-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3Cl)C2)C1 ZINC000339426120 433574285 /nfs/dbraw/zinc/57/42/85/433574285.db2.gz KNHVPIRQDCSMII-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3Cl)C2)C1 ZINC000339426120 433574292 /nfs/dbraw/zinc/57/42/92/433574292.db2.gz KNHVPIRQDCSMII-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccccc3Cl)C2)C1 ZINC000339426120 433574298 /nfs/dbraw/zinc/57/42/98/433574298.db2.gz KNHVPIRQDCSMII-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccccc3Cl)C2)C1 ZINC000339426120 433574305 /nfs/dbraw/zinc/57/43/05/433574305.db2.gz KNHVPIRQDCSMII-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433020 433578890 /nfs/dbraw/zinc/57/88/90/433578890.db2.gz HKHMLLURTSEZJX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433020 433578896 /nfs/dbraw/zinc/57/88/96/433578896.db2.gz HKHMLLURTSEZJX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433020 433578905 /nfs/dbraw/zinc/57/89/05/433578905.db2.gz HKHMLLURTSEZJX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433020 433578914 /nfs/dbraw/zinc/57/89/14/433578914.db2.gz HKHMLLURTSEZJX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Br)c3)C2)C1 ZINC000339439094 433584022 /nfs/dbraw/zinc/58/40/22/433584022.db2.gz URHHYUDZTOEJTJ-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Br)c3)C2)C1 ZINC000339439094 433584034 /nfs/dbraw/zinc/58/40/34/433584034.db2.gz URHHYUDZTOEJTJ-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC000339439094 433584041 /nfs/dbraw/zinc/58/40/41/433584041.db2.gz URHHYUDZTOEJTJ-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC000339439094 433584050 /nfs/dbraw/zinc/58/40/50/433584050.db2.gz URHHYUDZTOEJTJ-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339436820 433585923 /nfs/dbraw/zinc/58/59/23/433585923.db2.gz HVEKKEFVWJNMSZ-FQEVSTJZSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339436820 433585932 /nfs/dbraw/zinc/58/59/32/433585932.db2.gz HVEKKEFVWJNMSZ-FQEVSTJZSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436820 433585937 /nfs/dbraw/zinc/58/59/37/433585937.db2.gz HVEKKEFVWJNMSZ-FQEVSTJZSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436820 433585948 /nfs/dbraw/zinc/58/59/48/433585948.db2.gz HVEKKEFVWJNMSZ-FQEVSTJZSA-N 3 2 324.472 3.098 20 0 DGADLP CC[NH+](CC)CCN(Cc1c(C)[nH+]c2ccccn21)CC(C)C ZINC000351641340 433634999 /nfs/dbraw/zinc/63/49/99/433634999.db2.gz NKBKBPOSDUVPOH-UHFFFAOYSA-N 2 2 316.493 3.443 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282422964 433600270 /nfs/dbraw/zinc/60/02/70/433600270.db2.gz BSYIKXQPFWJLHI-GOSISDBHSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282422964 433600278 /nfs/dbraw/zinc/60/02/78/433600278.db2.gz BSYIKXQPFWJLHI-GOSISDBHSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000356530571 433605464 /nfs/dbraw/zinc/60/54/64/433605464.db2.gz QOHTYDQNSCCSPQ-CQSZACIVSA-N 2 2 314.433 3.215 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609733 433612179 /nfs/dbraw/zinc/61/21/79/433612179.db2.gz TUGABBIUBKZKJI-WOJBJXKFSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609733 433612188 /nfs/dbraw/zinc/61/21/88/433612188.db2.gz TUGABBIUBKZKJI-WOJBJXKFSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000351609733 433612197 /nfs/dbraw/zinc/61/21/97/433612197.db2.gz TUGABBIUBKZKJI-WOJBJXKFSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609733 433612201 /nfs/dbraw/zinc/61/22/01/433612201.db2.gz TUGABBIUBKZKJI-WOJBJXKFSA-N 3 2 321.553 3.305 20 0 DGADLP CCc1ncc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000414438099 433613270 /nfs/dbraw/zinc/61/32/70/433613270.db2.gz CUVXXFYHYYJFDA-UHFFFAOYSA-N 2 2 324.472 3.135 20 0 DGADLP CCc1ncc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000414438099 433613278 /nfs/dbraw/zinc/61/32/78/433613278.db2.gz CUVXXFYHYYJFDA-UHFFFAOYSA-N 2 2 324.472 3.135 20 0 DGADLP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427120218 433656190 /nfs/dbraw/zinc/65/61/90/433656190.db2.gz AOQKPDHVOSAMIY-CZUORRHYSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427120218 433656197 /nfs/dbraw/zinc/65/61/97/433656197.db2.gz AOQKPDHVOSAMIY-CZUORRHYSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427136959 433657073 /nfs/dbraw/zinc/65/70/73/433657073.db2.gz NMIGOALTANITJG-PBHICJAKSA-N 2 2 319.880 3.124 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427136959 433657084 /nfs/dbraw/zinc/65/70/84/433657084.db2.gz NMIGOALTANITJG-PBHICJAKSA-N 2 2 319.880 3.124 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)CCO1 ZINC000449013429 433657748 /nfs/dbraw/zinc/65/77/48/433657748.db2.gz CRVUTTBCAWEWJA-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)CCO1 ZINC000449013429 433657755 /nfs/dbraw/zinc/65/77/55/433657755.db2.gz CRVUTTBCAWEWJA-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427138207 433660913 /nfs/dbraw/zinc/66/09/13/433660913.db2.gz VWNADXSMYSYEKB-DOTOQJQBSA-N 2 2 313.470 3.302 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427138207 433660921 /nfs/dbraw/zinc/66/09/21/433660921.db2.gz VWNADXSMYSYEKB-DOTOQJQBSA-N 2 2 313.470 3.302 20 0 DGADLP CC[NH+](CC)[C@H](CNc1nc(C)[nH+]c(C)c1C)c1ccco1 ZINC000301674802 433671378 /nfs/dbraw/zinc/67/13/78/433671378.db2.gz GYCPCLWLCQWXOL-OAHLLOKOSA-N 2 2 302.422 3.490 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000449025881 433677696 /nfs/dbraw/zinc/67/76/96/433677696.db2.gz CURRXLCWGWLEHE-KRWDZBQOSA-N 2 2 306.425 3.285 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000449025881 433677711 /nfs/dbraw/zinc/67/77/11/433677711.db2.gz CURRXLCWGWLEHE-KRWDZBQOSA-N 2 2 306.425 3.285 20 0 DGADLP Cc1nc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301698726 433683224 /nfs/dbraw/zinc/68/32/24/433683224.db2.gz RFNCMBHOJPXHAB-MRXNPFEDSA-N 2 2 302.397 3.256 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381390 433650226 /nfs/dbraw/zinc/65/02/26/433650226.db2.gz XLRKHYWZJADVBA-TZMCWYRMSA-N 2 2 305.397 3.272 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381390 433650237 /nfs/dbraw/zinc/65/02/37/433650237.db2.gz XLRKHYWZJADVBA-TZMCWYRMSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381390 433650253 /nfs/dbraw/zinc/65/02/53/433650253.db2.gz XLRKHYWZJADVBA-TZMCWYRMSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381390 433650265 /nfs/dbraw/zinc/65/02/65/433650265.db2.gz XLRKHYWZJADVBA-TZMCWYRMSA-N 2 2 305.397 3.272 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427101493 433650589 /nfs/dbraw/zinc/65/05/89/433650589.db2.gz QXJDNMQDTZAUQR-PKOBYXMFSA-N 2 2 322.456 3.033 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427101493 433650600 /nfs/dbraw/zinc/65/06/00/433650600.db2.gz QXJDNMQDTZAUQR-PKOBYXMFSA-N 2 2 322.456 3.033 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427101490 433651222 /nfs/dbraw/zinc/65/12/22/433651222.db2.gz QXJDNMQDTZAUQR-HKUYNNGSSA-N 2 2 322.456 3.033 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000366925275 293004995 /nfs/dbraw/zinc/00/49/95/293004995.db2.gz VENDYWVFLZHQML-ZDUSSCGKSA-N 2 2 309.335 3.428 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000366925275 293004997 /nfs/dbraw/zinc/00/49/97/293004997.db2.gz VENDYWVFLZHQML-ZDUSSCGKSA-N 2 2 309.335 3.428 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427101490 433651236 /nfs/dbraw/zinc/65/12/36/433651236.db2.gz QXJDNMQDTZAUQR-HKUYNNGSSA-N 2 2 322.456 3.033 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000367090801 293024769 /nfs/dbraw/zinc/02/47/69/293024769.db2.gz CTDDFQUWPSOYLM-JQHSSLGASA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000367215123 293039405 /nfs/dbraw/zinc/03/94/05/293039405.db2.gz DEUBEXOTDPSIAF-SWLSCSKDSA-N 2 2 314.364 3.247 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000367215123 293039407 /nfs/dbraw/zinc/03/94/07/293039407.db2.gz DEUBEXOTDPSIAF-SWLSCSKDSA-N 2 2 314.364 3.247 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449032729 433693927 /nfs/dbraw/zinc/69/39/27/433693927.db2.gz AXGJBZPJRDGNSW-ZDUSSCGKSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449032729 433693937 /nfs/dbraw/zinc/69/39/37/433693937.db2.gz AXGJBZPJRDGNSW-ZDUSSCGKSA-N 2 2 319.449 3.333 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000367596370 293088421 /nfs/dbraw/zinc/08/84/21/293088421.db2.gz PERXGLINRHRWLJ-RDJZCZTQSA-N 2 2 304.482 3.353 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000368455825 293124585 /nfs/dbraw/zinc/12/45/85/293124585.db2.gz UGOPOBRJRGGIDP-SQNIBIBYSA-N 2 2 318.509 3.156 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000368455823 293124784 /nfs/dbraw/zinc/12/47/84/293124784.db2.gz UGOPOBRJRGGIDP-KURKYZTESA-N 2 2 318.509 3.156 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000449045796 433703405 /nfs/dbraw/zinc/70/34/05/433703405.db2.gz JDQNNCUYNSQTMZ-CRAIPNDOSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000449045796 433703416 /nfs/dbraw/zinc/70/34/16/433703416.db2.gz JDQNNCUYNSQTMZ-CRAIPNDOSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000370165019 293160249 /nfs/dbraw/zinc/16/02/49/293160249.db2.gz ZBWNSOSWTSFHMR-DZGCQCFKSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000370165019 293160251 /nfs/dbraw/zinc/16/02/51/293160251.db2.gz ZBWNSOSWTSFHMR-DZGCQCFKSA-N 2 2 323.400 3.400 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000370207237 293163045 /nfs/dbraw/zinc/16/30/45/293163045.db2.gz IJIPAAHCPJPMGT-GOSISDBHSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000370207237 293163047 /nfs/dbraw/zinc/16/30/47/293163047.db2.gz IJIPAAHCPJPMGT-GOSISDBHSA-N 2 2 312.461 3.170 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[N@@H+]1Cc1ccccc1 ZINC000370431257 293174231 /nfs/dbraw/zinc/17/42/31/293174231.db2.gz SKDXEHJEOVBRDO-GBESFXJTSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[N@H+]1Cc1ccccc1 ZINC000370431257 293174234 /nfs/dbraw/zinc/17/42/34/293174234.db2.gz SKDXEHJEOVBRDO-GBESFXJTSA-N 2 2 316.489 3.180 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)cc2)c[nH+]1 ZINC000371077318 293198631 /nfs/dbraw/zinc/19/86/31/293198631.db2.gz WSESFVVOBAJWHL-SFHVURJKSA-N 2 2 311.429 3.121 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](C4CCOCC4)C3)cc2)c[nH+]1 ZINC000371077318 293198634 /nfs/dbraw/zinc/19/86/34/293198634.db2.gz WSESFVVOBAJWHL-SFHVURJKSA-N 2 2 311.429 3.121 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000372054950 293226793 /nfs/dbraw/zinc/22/67/93/293226793.db2.gz ISWCZDRBBKJMKH-DZGCQCFKSA-N 2 2 315.383 3.224 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000372054950 293226794 /nfs/dbraw/zinc/22/67/94/293226794.db2.gz ISWCZDRBBKJMKH-DZGCQCFKSA-N 2 2 315.383 3.224 20 0 DGADLP CC(C)c1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)nc(C(C)C)[nH+]1 ZINC000372348610 293237680 /nfs/dbraw/zinc/23/76/80/293237680.db2.gz XQUOJSXELXTLJH-CQSZACIVSA-N 2 2 313.449 3.451 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000372992070 293248441 /nfs/dbraw/zinc/24/84/41/293248441.db2.gz IPFHDOJZKVVOMR-MRXNPFEDSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000372992070 293248443 /nfs/dbraw/zinc/24/84/43/293248443.db2.gz IPFHDOJZKVVOMR-MRXNPFEDSA-N 2 2 317.408 3.397 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502512 293283554 /nfs/dbraw/zinc/28/35/54/293283554.db2.gz YSROKDIKVHPXIV-BEFAXECRSA-N 2 2 323.444 3.336 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502512 293283557 /nfs/dbraw/zinc/28/35/57/293283557.db2.gz YSROKDIKVHPXIV-BEFAXECRSA-N 2 2 323.444 3.336 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373562269 293290941 /nfs/dbraw/zinc/29/09/41/293290941.db2.gz TVSSVSIWJDCKJV-HKUYNNGSSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000373562269 293290942 /nfs/dbraw/zinc/29/09/42/293290942.db2.gz TVSSVSIWJDCKJV-HKUYNNGSSA-N 2 2 324.472 3.052 20 0 DGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000374316147 293383633 /nfs/dbraw/zinc/38/36/33/293383633.db2.gz NVFADRPFFQHSPV-OALUTQOASA-N 2 2 314.473 3.372 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCOC1 ZINC000356844275 433727392 /nfs/dbraw/zinc/72/73/92/433727392.db2.gz HPHYSWMNJFPYBD-YTQUADARSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCOC1 ZINC000356844275 433727399 /nfs/dbraw/zinc/72/73/99/433727399.db2.gz HPHYSWMNJFPYBD-YTQUADARSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000283452960 433728726 /nfs/dbraw/zinc/72/87/26/433728726.db2.gz LAFRRWHMWYRSEQ-HVHJFMEUSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000283452960 433728736 /nfs/dbraw/zinc/72/87/36/433728736.db2.gz LAFRRWHMWYRSEQ-HVHJFMEUSA-N 2 2 324.428 3.294 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801675 433735827 /nfs/dbraw/zinc/73/58/27/433735827.db2.gz LKUOTHPZRQETPN-PMACEKPBSA-N 2 2 321.468 3.193 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801675 433735837 /nfs/dbraw/zinc/73/58/37/433735837.db2.gz LKUOTHPZRQETPN-PMACEKPBSA-N 2 2 321.468 3.193 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C(C)C)c(F)c1 ZINC000421797145 433737835 /nfs/dbraw/zinc/73/78/35/433737835.db2.gz AQBQEPYBPPZNHO-KRWDZBQOSA-N 2 2 305.397 3.408 20 0 DGADLP OCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CCCCC1 ZINC000362531265 433739928 /nfs/dbraw/zinc/73/99/28/433739928.db2.gz ZVNCGINUEKDFFV-UHFFFAOYSA-N 2 2 319.474 3.308 20 0 DGADLP OCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CCCCC1 ZINC000362531265 433739939 /nfs/dbraw/zinc/73/99/39/433739939.db2.gz ZVNCGINUEKDFFV-UHFFFAOYSA-N 2 2 319.474 3.308 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCOC1 ZINC000356866055 433740588 /nfs/dbraw/zinc/74/05/88/433740588.db2.gz LNYVEVAPTHBNJR-NVXWUHKLSA-N 2 2 320.452 3.195 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449398538 433741419 /nfs/dbraw/zinc/74/14/19/433741419.db2.gz VIGGDYGJNAGPFT-SLFFLAALSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449398538 433741429 /nfs/dbraw/zinc/74/14/29/433741429.db2.gz VIGGDYGJNAGPFT-SLFFLAALSA-N 2 2 316.489 3.068 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccncc1Cl ZINC000421821634 433742264 /nfs/dbraw/zinc/74/22/64/433742264.db2.gz SKPJCTIYQOTAAQ-LBPRGKRZSA-N 2 2 304.825 3.161 20 0 DGADLP COC1([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000421821124 433742876 /nfs/dbraw/zinc/74/28/76/433742876.db2.gz PNNGTFGWTFWOMF-OAHLLOKOSA-N 2 2 301.434 3.204 20 0 DGADLP CC(C)c1cc(NCC(C)(C)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301829097 433746103 /nfs/dbraw/zinc/74/61/03/433746103.db2.gz QWPOODGPQDQUEY-UHFFFAOYSA-N 2 2 320.481 3.246 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862687 433756652 /nfs/dbraw/zinc/75/66/52/433756652.db2.gz PUNNYKRUAVBXEN-WCQYABFASA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862687 433756656 /nfs/dbraw/zinc/75/66/56/433756656.db2.gz PUNNYKRUAVBXEN-WCQYABFASA-N 2 2 305.422 3.118 20 0 DGADLP FC1(F)Oc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2O1 ZINC000351871856 433762852 /nfs/dbraw/zinc/76/28/52/433762852.db2.gz AJXCQBFOYRTHPX-UHFFFAOYSA-N 2 2 321.327 3.042 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000421843005 433765191 /nfs/dbraw/zinc/76/51/91/433765191.db2.gz PJQKTHDMISMGCV-WCQYABFASA-N 2 2 305.809 3.211 20 0 DGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000421843101 433767096 /nfs/dbraw/zinc/76/70/96/433767096.db2.gz PJQKTHDMISMGCV-YPMHNXCESA-N 2 2 305.809 3.211 20 0 DGADLP C[C@H]1CC[C@H](C)[NH+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878030 433767275 /nfs/dbraw/zinc/76/72/75/433767275.db2.gz QXMNJBXEUCEEGO-ROUUACIJSA-N 2 2 301.478 3.072 20 0 DGADLP CCCCCOc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OC ZINC000414658041 433773258 /nfs/dbraw/zinc/77/32/58/433773258.db2.gz KYEZJALDVOYORY-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCCOc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OC ZINC000414658041 433773266 /nfs/dbraw/zinc/77/32/66/433773266.db2.gz KYEZJALDVOYORY-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449765014 433780442 /nfs/dbraw/zinc/78/04/42/433780442.db2.gz FTSIKWGYGNBMBO-IXDOHACOSA-N 2 2 324.509 3.208 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673776 433781830 /nfs/dbraw/zinc/78/18/30/433781830.db2.gz CRDKVOGSSUSZBR-WMLDXEAASA-N 2 2 306.450 3.214 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673776 433781841 /nfs/dbraw/zinc/78/18/41/433781841.db2.gz CRDKVOGSSUSZBR-WMLDXEAASA-N 2 2 306.450 3.214 20 0 DGADLP C[N@H+](C[C@H]1CCSC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449788618 433804942 /nfs/dbraw/zinc/80/49/42/433804942.db2.gz YFPQCLNUMICHSU-GFCCVEGCSA-N 2 2 310.429 3.088 20 0 DGADLP C[N@@H+](C[C@H]1CCSC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449788618 433804950 /nfs/dbraw/zinc/80/49/50/433804950.db2.gz YFPQCLNUMICHSU-GFCCVEGCSA-N 2 2 310.429 3.088 20 0 DGADLP Cc1cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000421927310 433807977 /nfs/dbraw/zinc/80/79/77/433807977.db2.gz ZMDPJCVSNXPVSH-GOSISDBHSA-N 2 2 311.429 3.008 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293639268 433810473 /nfs/dbraw/zinc/81/04/73/433810473.db2.gz MALMJSFGFSAOBV-SFHVURJKSA-N 2 2 300.446 3.214 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293639268 433810479 /nfs/dbraw/zinc/81/04/79/433810479.db2.gz MALMJSFGFSAOBV-SFHVURJKSA-N 2 2 300.446 3.214 20 0 DGADLP [NH3+]CCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000414744412 433817493 /nfs/dbraw/zinc/81/74/93/433817493.db2.gz IIFATEHTUSKIPP-ZDUSSCGKSA-N 2 2 301.203 3.074 20 0 DGADLP [NH3+]CCC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000414744412 433817500 /nfs/dbraw/zinc/81/75/00/433817500.db2.gz IIFATEHTUSKIPP-ZDUSSCGKSA-N 2 2 301.203 3.074 20 0 DGADLP CCn1nc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c2ccccc21 ZINC000414835151 433872864 /nfs/dbraw/zinc/87/28/64/433872864.db2.gz HEDLGGAWSNWLSC-INIZCTEOSA-N 2 2 300.450 3.053 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000414771424 433826656 /nfs/dbraw/zinc/82/66/56/433826656.db2.gz QWIMYFLUHHYXRR-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000414771424 433826667 /nfs/dbraw/zinc/82/66/67/433826667.db2.gz QWIMYFLUHHYXRR-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP CCOc1cc(C[N@H+](C)C2(C[NH3+])CCC2)cc(Cl)c1OC ZINC000414775999 433828079 /nfs/dbraw/zinc/82/80/79/433828079.db2.gz CSCDDDWFZBYBHB-UHFFFAOYSA-N 2 2 312.841 3.061 20 0 DGADLP CCOc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc(Cl)c1OC ZINC000414775999 433828087 /nfs/dbraw/zinc/82/80/87/433828087.db2.gz CSCDDDWFZBYBHB-UHFFFAOYSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000284087757 433831900 /nfs/dbraw/zinc/83/19/00/433831900.db2.gz BIHFKXFHCCPWMH-NSHDSACASA-N 2 2 309.841 3.021 20 0 DGADLP C[C@H](CO)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719252 433832890 /nfs/dbraw/zinc/83/28/90/433832890.db2.gz HUOATPUPOBNRSC-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CO)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719252 433832897 /nfs/dbraw/zinc/83/28/97/433832897.db2.gz HUOATPUPOBNRSC-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000284090773 433833602 /nfs/dbraw/zinc/83/36/02/433833602.db2.gz BLZLLNKJDPKSHM-LBPRGKRZSA-N 2 2 323.868 3.411 20 0 DGADLP CC(C)Cn1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414848018 433878580 /nfs/dbraw/zinc/87/85/80/433878580.db2.gz PINLZDWQHBCFIT-LJQANCHMSA-N 2 2 314.477 3.452 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000339867586 433835193 /nfs/dbraw/zinc/83/51/93/433835193.db2.gz SOAGIIMJQZBUEK-SFHVURJKSA-N 2 2 317.477 3.034 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000339867586 433835197 /nfs/dbraw/zinc/83/51/97/433835197.db2.gz SOAGIIMJQZBUEK-SFHVURJKSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C3(C[NH3+])CCC3)s2)cc1 ZINC000414785174 433835517 /nfs/dbraw/zinc/83/55/17/433835517.db2.gz JCHMNUCIUMHIRR-UHFFFAOYSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)C3(C[NH3+])CCC3)s2)cc1 ZINC000414785174 433835525 /nfs/dbraw/zinc/83/55/25/433835525.db2.gz JCHMNUCIUMHIRR-UHFFFAOYSA-N 2 2 301.459 3.432 20 0 DGADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C1CC[NH2+]CC1 ZINC000414791415 433840838 /nfs/dbraw/zinc/84/08/38/433840838.db2.gz QVFLIBBEFFWMDB-UHFFFAOYSA-N 2 2 313.426 3.398 20 0 DGADLP C[NH2+][C@@H]1CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000339900940 433846595 /nfs/dbraw/zinc/84/65/95/433846595.db2.gz PFUVPKNQXUTPNM-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+][C@@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000339900940 433846601 /nfs/dbraw/zinc/84/66/01/433846601.db2.gz PFUVPKNQXUTPNM-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2c1 ZINC000414848618 433877897 /nfs/dbraw/zinc/87/78/97/433877897.db2.gz QCSPKMBIJFDQIV-SFHVURJKSA-N 2 2 324.472 3.067 20 0 DGADLP CC(C)([NH3+])C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414809213 433852629 /nfs/dbraw/zinc/85/26/29/433852629.db2.gz VALRRRYRRMCZKD-UHFFFAOYSA-N 2 2 319.836 3.141 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000414810868 433852964 /nfs/dbraw/zinc/85/29/64/433852964.db2.gz OWWQBYZPZAEVLO-CEXWTWQISA-N 3 2 315.505 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414810868 433852973 /nfs/dbraw/zinc/85/29/73/433852973.db2.gz OWWQBYZPZAEVLO-CEXWTWQISA-N 3 2 315.505 3.004 20 0 DGADLP c1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377335022 433857027 /nfs/dbraw/zinc/85/70/27/433857027.db2.gz FCFRFFHBWPTHOW-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377335022 433857037 /nfs/dbraw/zinc/85/70/37/433857037.db2.gz FCFRFFHBWPTHOW-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377335022 433857043 /nfs/dbraw/zinc/85/70/43/433857043.db2.gz FCFRFFHBWPTHOW-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377335022 433857051 /nfs/dbraw/zinc/85/70/51/433857051.db2.gz FCFRFFHBWPTHOW-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013898 433858318 /nfs/dbraw/zinc/85/83/18/433858318.db2.gz KRQYQVNFIUKSMN-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013898 433858329 /nfs/dbraw/zinc/85/83/29/433858329.db2.gz KRQYQVNFIUKSMN-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013898 433858339 /nfs/dbraw/zinc/85/83/39/433858339.db2.gz KRQYQVNFIUKSMN-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(OC)cc2)C[C@@H]1C ZINC000352013898 433858347 /nfs/dbraw/zinc/85/83/47/433858347.db2.gz KRQYQVNFIUKSMN-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP Cc1ccc2[nH+]cc(CNCC[NH2+]C3CCCCCC3)n2c1 ZINC000414816895 433858696 /nfs/dbraw/zinc/85/86/96/433858696.db2.gz YMSLTDODGIHQQY-UHFFFAOYSA-N 2 2 300.450 3.045 20 0 DGADLP Cn1cc(C[NH2+]CC[NH2+]C2CCCCCC2)c(C(C)(C)C)n1 ZINC000414815202 433859369 /nfs/dbraw/zinc/85/93/69/433859369.db2.gz SWJLBGQJAMGUSH-UHFFFAOYSA-N 2 2 306.498 3.120 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414832268 433866052 /nfs/dbraw/zinc/86/60/52/433866052.db2.gz OHAHCDZFQZHSLB-WBVHZDCISA-N 2 2 311.429 3.002 20 0 DGADLP Cc1csc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000362806028 433866681 /nfs/dbraw/zinc/86/66/81/433866681.db2.gz MVWKBDRLFMHLRU-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1csc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000362806028 433866690 /nfs/dbraw/zinc/86/66/90/433866690.db2.gz MVWKBDRLFMHLRU-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000414835845 433871283 /nfs/dbraw/zinc/87/12/83/433871283.db2.gz RXFMKIQAHGYVSW-MRXNPFEDSA-N 2 2 306.356 3.120 20 0 DGADLP CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC000352028516 433872402 /nfs/dbraw/zinc/87/24/02/433872402.db2.gz PXZPIYULQGPYEC-UHFFFAOYSA-N 2 2 301.478 3.073 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC000352028516 433872412 /nfs/dbraw/zinc/87/24/12/433872412.db2.gz PXZPIYULQGPYEC-UHFFFAOYSA-N 2 2 301.478 3.073 20 0 DGADLP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@@H]3CCC[NH2+]C3)cc2c1 ZINC000414867075 433896900 /nfs/dbraw/zinc/89/69/00/433896900.db2.gz NZLRDJDYGSQTMV-GOSISDBHSA-N 2 2 324.472 3.067 20 0 DGADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414882334 433898755 /nfs/dbraw/zinc/89/87/55/433898755.db2.gz MDAOBUSYXNVKKP-BQHGXPCASA-N 2 2 308.425 3.230 20 0 DGADLP CCC[C@@]1(CO)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000377588410 433918834 /nfs/dbraw/zinc/91/88/34/433918834.db2.gz RPLVRJSRNDQYBY-LJQANCHMSA-N 2 2 313.445 3.165 20 0 DGADLP CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000377588410 433918840 /nfs/dbraw/zinc/91/88/40/433918840.db2.gz RPLVRJSRNDQYBY-LJQANCHMSA-N 2 2 313.445 3.165 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000377627611 293686708 /nfs/dbraw/zinc/68/67/08/293686708.db2.gz RDSRJGSPCDSVNK-UHFFFAOYSA-N 2 2 317.820 3.482 20 0 DGADLP CC(C)(CC[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000422556376 433920339 /nfs/dbraw/zinc/92/03/39/433920339.db2.gz DTIYOLRGWFFCDQ-UHFFFAOYSA-N 2 2 314.389 3.123 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414923624 433921238 /nfs/dbraw/zinc/92/12/38/433921238.db2.gz ITFYPRZXEFPHIQ-FUHWJXTLSA-N 3 2 321.896 3.164 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414928031 433922080 /nfs/dbraw/zinc/92/20/80/433922080.db2.gz MYQKMKJITJDIEM-INIZCTEOSA-N 2 2 306.498 3.123 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936626 433927279 /nfs/dbraw/zinc/92/72/79/433927279.db2.gz GWUFULPNJXUEDG-RTBURBONSA-N 2 2 300.446 3.490 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000422641611 433933617 /nfs/dbraw/zinc/93/36/17/433933617.db2.gz YAZBTQGGSASZEE-VWYCJHECSA-N 2 2 302.249 3.194 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000422641611 433933627 /nfs/dbraw/zinc/93/36/27/433933627.db2.gz YAZBTQGGSASZEE-VWYCJHECSA-N 2 2 302.249 3.194 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC000344676254 433880156 /nfs/dbraw/zinc/88/01/56/433880156.db2.gz KQMURSHPNOZGOF-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC000344676254 433880161 /nfs/dbraw/zinc/88/01/61/433880161.db2.gz KQMURSHPNOZGOF-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414854069 433882770 /nfs/dbraw/zinc/88/27/70/433882770.db2.gz UGFUPFXZSLAPPR-IBGZPJMESA-N 2 2 312.461 3.178 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414850913 433884020 /nfs/dbraw/zinc/88/40/20/433884020.db2.gz ITPQCUUSYCUVKI-GXTWGEPZSA-N 2 2 319.449 3.427 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000414855045 433888977 /nfs/dbraw/zinc/88/89/77/433888977.db2.gz VUQNWJIECLSQHJ-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CCOc1c(Cl)cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000414856395 433889303 /nfs/dbraw/zinc/88/93/03/433889303.db2.gz YVWIVFVHVDXJTM-CYBMUJFWSA-N 2 2 314.857 3.210 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000414861251 433892528 /nfs/dbraw/zinc/89/25/28/433892528.db2.gz WIBKDSZSAYZJPC-MNOVXSKESA-N 2 2 315.230 3.066 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)[C@H]1CCC[NH2+]C1 ZINC000414862302 433893017 /nfs/dbraw/zinc/89/30/17/433893017.db2.gz XEIJFCGMLWSCCE-RYUDHWBXSA-N 2 2 307.488 3.349 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000422712271 433944080 /nfs/dbraw/zinc/94/40/80/433944080.db2.gz IDPSGWDPELNLDD-XWIAVFTESA-N 2 2 306.425 3.024 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422713403 433945386 /nfs/dbraw/zinc/94/53/86/433945386.db2.gz JQROOMVJGZCMHF-ZWKOTPCHSA-N 2 2 315.461 3.175 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000422712270 433946179 /nfs/dbraw/zinc/94/61/79/433946179.db2.gz IDPSGWDPELNLDD-JEBQAFNWSA-N 2 2 306.425 3.024 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422710718 433947449 /nfs/dbraw/zinc/94/74/49/433947449.db2.gz MBCKQELOINQXSC-IPMKNSEASA-N 2 2 313.420 3.163 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414975627 433948142 /nfs/dbraw/zinc/94/81/42/433948142.db2.gz OYQIQYICLYZEMB-HNNXBMFYSA-N 2 2 319.449 3.427 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340162133 433948134 /nfs/dbraw/zinc/94/81/34/433948134.db2.gz DULBOJIMXVPUKH-OALUTQOASA-N 3 2 303.494 3.143 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340162133 433948143 /nfs/dbraw/zinc/94/81/43/433948143.db2.gz DULBOJIMXVPUKH-OALUTQOASA-N 3 2 303.494 3.143 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422719121 433950733 /nfs/dbraw/zinc/95/07/33/433950733.db2.gz QTGGHALQNFYFIG-CPUCHLNUSA-N 2 2 308.491 3.216 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)sc2C1 ZINC000345846114 433951734 /nfs/dbraw/zinc/95/17/34/433951734.db2.gz IUBOEIHKZIAWHN-QWHCGFSZSA-N 2 2 316.474 3.132 20 0 DGADLP C[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000414985030 433956792 /nfs/dbraw/zinc/95/67/92/433956792.db2.gz FEYRUQGHSIRGPL-CABZTGNLSA-N 2 2 310.310 3.381 20 0 DGADLP Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000285470524 433963160 /nfs/dbraw/zinc/96/31/60/433963160.db2.gz ATKBYEKWTKEDMI-QGZVFWFLSA-N 2 2 323.400 3.291 20 0 DGADLP Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000285470524 433963168 /nfs/dbraw/zinc/96/31/68/433963168.db2.gz ATKBYEKWTKEDMI-QGZVFWFLSA-N 2 2 323.400 3.291 20 0 DGADLP CCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1nnc2ccccn21 ZINC000422743068 433966077 /nfs/dbraw/zinc/96/60/77/433966077.db2.gz QWCGZARQJNPIAC-ULQDDVLXSA-N 2 2 321.428 3.305 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000294018743 433966446 /nfs/dbraw/zinc/96/64/46/433966446.db2.gz NLAGJPFFVCVUJF-RBUKOAKNSA-N 2 2 309.413 3.016 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000294018743 433966461 /nfs/dbraw/zinc/96/64/61/433966461.db2.gz NLAGJPFFVCVUJF-RBUKOAKNSA-N 2 2 309.413 3.016 20 0 DGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422743568 433967893 /nfs/dbraw/zinc/96/78/93/433967893.db2.gz RTYBENGYLFAZCP-BFHYXJOUSA-N 2 2 307.507 3.451 20 0 DGADLP C[N@H+](Cc1coc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285511120 433976449 /nfs/dbraw/zinc/97/64/49/433976449.db2.gz NLUGQWPCQNOKMN-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP C[N@@H+](Cc1coc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285511120 433976460 /nfs/dbraw/zinc/97/64/60/433976460.db2.gz NLUGQWPCQNOKMN-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1coc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285511120 433976467 /nfs/dbraw/zinc/97/64/67/433976467.db2.gz NLUGQWPCQNOKMN-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1coc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285511120 433976478 /nfs/dbraw/zinc/97/64/78/433976478.db2.gz NLUGQWPCQNOKMN-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000422759325 433978196 /nfs/dbraw/zinc/97/81/96/433978196.db2.gz JQWQESCHSFCOEG-UIFIKXQLSA-N 2 2 324.468 3.327 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000285534523 433983414 /nfs/dbraw/zinc/98/34/14/433983414.db2.gz SQLJEVKYVIZPFV-UHFFFAOYSA-N 2 2 306.450 3.103 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000285551966 433990139 /nfs/dbraw/zinc/99/01/39/433990139.db2.gz MLTHNAKAQAORRE-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000285551966 433990148 /nfs/dbraw/zinc/99/01/48/433990148.db2.gz MLTHNAKAQAORRE-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)cc1 ZINC000285551966 433990155 /nfs/dbraw/zinc/99/01/55/433990155.db2.gz MLTHNAKAQAORRE-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cc1 ZINC000285551966 433990162 /nfs/dbraw/zinc/99/01/62/433990162.db2.gz MLTHNAKAQAORRE-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(NCc2c[nH+]c3cccc(C)n23)cn1 ZINC000378517469 293804011 /nfs/dbraw/zinc/80/40/11/293804011.db2.gz HHEKJSYTHXFGMV-UHFFFAOYSA-N 2 2 318.384 3.144 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[nH+]c1 ZINC000422706390 433939475 /nfs/dbraw/zinc/93/94/75/433939475.db2.gz UHURMRXXYOROFU-RCCFBDPRSA-N 3 2 316.493 3.174 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303392547 433941053 /nfs/dbraw/zinc/94/10/53/433941053.db2.gz AOEVGMMTYBYTSF-HKUYNNGSSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303392547 433941063 /nfs/dbraw/zinc/94/10/63/433941063.db2.gz AOEVGMMTYBYTSF-HKUYNNGSSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000422705438 433941388 /nfs/dbraw/zinc/94/13/88/433941388.db2.gz CAJPVLCEHCUBJS-SNPRPXQTSA-N 2 2 316.367 3.037 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000422791793 434006126 /nfs/dbraw/zinc/00/61/26/434006126.db2.gz DFHMLGJCBXWPLG-WMZOPIPTSA-N 2 2 304.478 3.101 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422803240 434016810 /nfs/dbraw/zinc/01/68/10/434016810.db2.gz IQALELTVGBVXFF-ROUUACIJSA-N 2 2 315.461 3.045 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000397787674 293848345 /nfs/dbraw/zinc/84/83/45/293848345.db2.gz QWEMQCSQDPIZMR-CQSZACIVSA-N 2 2 309.251 3.120 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422823165 434029107 /nfs/dbraw/zinc/02/91/07/434029107.db2.gz LIURXWHGKKCEBX-SCTDSRPQSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422823165 434029113 /nfs/dbraw/zinc/02/91/13/434029113.db2.gz LIURXWHGKKCEBX-SCTDSRPQSA-N 3 2 303.494 3.017 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422826339 434030029 /nfs/dbraw/zinc/03/00/29/434030029.db2.gz QSXKVJRKDTYAQL-KSSFIOAISA-N 2 2 318.461 3.247 20 0 DGADLP Cc1ncsc1CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285672458 434037058 /nfs/dbraw/zinc/03/70/58/434037058.db2.gz NNHQNIFCBSGJML-UHFFFAOYSA-N 2 2 307.463 3.041 20 0 DGADLP Cc1ncsc1CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285672458 434037067 /nfs/dbraw/zinc/03/70/67/434037067.db2.gz NNHQNIFCBSGJML-UHFFFAOYSA-N 2 2 307.463 3.041 20 0 DGADLP Cc1ncsc1CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285672458 434037073 /nfs/dbraw/zinc/03/70/73/434037073.db2.gz NNHQNIFCBSGJML-UHFFFAOYSA-N 2 2 307.463 3.041 20 0 DGADLP Cc1ncsc1CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285672458 434037081 /nfs/dbraw/zinc/03/70/81/434037081.db2.gz NNHQNIFCBSGJML-UHFFFAOYSA-N 2 2 307.463 3.041 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CCC[C@@H]([NH+]4CCCC4)C3)n2c1 ZINC000352318431 434037134 /nfs/dbraw/zinc/03/71/34/434037134.db2.gz AWMXTOOQANMCDB-OAHLLOKOSA-N 2 2 318.852 3.048 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000422836621 434040549 /nfs/dbraw/zinc/04/05/49/434040549.db2.gz KOFXDMZOWLYCDJ-BWPNAZKDSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836621 434040557 /nfs/dbraw/zinc/04/05/57/434040557.db2.gz KOFXDMZOWLYCDJ-BWPNAZKDSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422837795 434043402 /nfs/dbraw/zinc/04/34/02/434043402.db2.gz MVBSMSLTSFIIPS-LMCOJAPRSA-N 3 2 315.505 3.289 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837795 434043408 /nfs/dbraw/zinc/04/34/08/434043408.db2.gz MVBSMSLTSFIIPS-LMCOJAPRSA-N 3 2 315.505 3.289 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840448 434045300 /nfs/dbraw/zinc/04/53/00/434045300.db2.gz SYGXCIPQWXEEDU-RYRKJORJSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840448 434045312 /nfs/dbraw/zinc/04/53/12/434045312.db2.gz SYGXCIPQWXEEDU-RYRKJORJSA-N 3 2 321.534 3.080 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000357408617 433999153 /nfs/dbraw/zinc/99/91/53/433999153.db2.gz GYTWYEGTQGMSQE-INIZCTEOSA-N 2 2 315.461 3.224 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000357408617 433999165 /nfs/dbraw/zinc/99/91/65/433999165.db2.gz GYTWYEGTQGMSQE-INIZCTEOSA-N 2 2 315.461 3.224 20 0 DGADLP CC[C@@H](C)C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000357413157 434002392 /nfs/dbraw/zinc/00/23/92/434002392.db2.gz NMTOMFBDNKWNCL-LJQANCHMSA-N 2 2 317.521 3.220 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340232033 434002399 /nfs/dbraw/zinc/00/23/99/434002399.db2.gz NQRBSCIFJRUOAH-CVEARBPZSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340232033 434002409 /nfs/dbraw/zinc/00/24/09/434002409.db2.gz NQRBSCIFJRUOAH-CVEARBPZSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340233036 434002576 /nfs/dbraw/zinc/00/25/76/434002576.db2.gz ZMFHAFKUWNLYED-POZUXBRTSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340233036 434002583 /nfs/dbraw/zinc/00/25/83/434002583.db2.gz ZMFHAFKUWNLYED-POZUXBRTSA-N 2 2 312.461 3.215 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422790973 434002882 /nfs/dbraw/zinc/00/28/82/434002882.db2.gz CNXVDOKFBYBHCQ-STQMWFEESA-N 2 2 302.340 3.335 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000414955041 293893181 /nfs/dbraw/zinc/89/31/81/293893181.db2.gz TXWYVYIZBBQMJZ-JOYOIKCWSA-N 2 2 317.658 3.333 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414956734 293894114 /nfs/dbraw/zinc/89/41/14/293894114.db2.gz OYHXBWXMUTUWMV-KKSFZXQISA-N 2 2 324.468 3.493 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)sc1Br ZINC000414964112 293897147 /nfs/dbraw/zinc/89/71/47/293897147.db2.gz YDYLYRGZVUZVQY-GXSJLCMTSA-N 2 2 303.269 3.049 20 0 DGADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000285789104 434066440 /nfs/dbraw/zinc/06/64/40/434066440.db2.gz UQNTVCZOGXOIPN-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@H]([NH2+]Cc1csc(Br)c1)c1c[nH+]ccc1N ZINC000422866781 434068123 /nfs/dbraw/zinc/06/81/23/434068123.db2.gz QXLHKUHRAQMGDB-QMMMGPOBSA-N 2 2 312.236 3.169 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874472 434070385 /nfs/dbraw/zinc/07/03/85/434070385.db2.gz DASOZPGIIAUGDR-FUHIMQAGSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874472 434070395 /nfs/dbraw/zinc/07/03/95/434070395.db2.gz DASOZPGIIAUGDR-FUHIMQAGSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OCC2CC2)c(F)c1 ZINC000422878598 434076809 /nfs/dbraw/zinc/07/68/09/434076809.db2.gz TXZJONOSIJSKLH-IGCXYCKISA-N 2 2 306.425 3.406 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302607 434077074 /nfs/dbraw/zinc/07/70/74/434077074.db2.gz PZKWPTBAVYCLMY-CJNGLKHVSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302607 434077084 /nfs/dbraw/zinc/07/70/84/434077084.db2.gz PZKWPTBAVYCLMY-CJNGLKHVSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000294302607 434077091 /nfs/dbraw/zinc/07/70/91/434077091.db2.gz PZKWPTBAVYCLMY-CJNGLKHVSA-N 2 2 320.864 3.494 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OCC2CC2)c(F)c1 ZINC000422878605 434077471 /nfs/dbraw/zinc/07/74/71/434077471.db2.gz TXZJONOSIJSKLH-XNJGSVPQSA-N 2 2 306.425 3.406 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)oc2c1 ZINC000378099506 434082607 /nfs/dbraw/zinc/08/26/07/434082607.db2.gz KCPMEHYWLMNGAB-AWEZNQCLSA-N 2 2 317.408 3.275 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)oc2c1 ZINC000378099506 434082612 /nfs/dbraw/zinc/08/26/12/434082612.db2.gz KCPMEHYWLMNGAB-AWEZNQCLSA-N 2 2 317.408 3.275 20 0 DGADLP CC1=CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360802 434082831 /nfs/dbraw/zinc/08/28/31/434082831.db2.gz UXIIOUWKYBBCMO-UXHICEINSA-N 2 2 313.489 3.064 20 0 DGADLP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360802 434082840 /nfs/dbraw/zinc/08/28/40/434082840.db2.gz UXIIOUWKYBBCMO-UXHICEINSA-N 2 2 313.489 3.064 20 0 DGADLP CC(C)c1csc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422895626 434090446 /nfs/dbraw/zinc/09/04/46/434090446.db2.gz WJTMWVVVDQKIGR-HIFRSBDPSA-N 2 2 303.475 3.315 20 0 DGADLP CCCNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422893231 434090821 /nfs/dbraw/zinc/09/08/21/434090821.db2.gz PNLLYMUIQZYPDD-MOPGFXCFSA-N 2 2 323.440 3.061 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)CCOc2ccc(F)cc2)c[nH+]1 ZINC000353376976 434091791 /nfs/dbraw/zinc/09/17/91/434091791.db2.gz COGIIIXWRYOWMD-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP Cc1ccc(CCC[N@H+](C)CCOc2ccc(F)cc2)c[nH+]1 ZINC000353376976 434091801 /nfs/dbraw/zinc/09/18/01/434091801.db2.gz COGIIIXWRYOWMD-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C[C@H]3COc4ccccc43)C2)cc1 ZINC000305144767 434049942 /nfs/dbraw/zinc/04/99/42/434049942.db2.gz WWDNUOWFKFBADQ-RBUKOAKNSA-N 2 2 322.452 3.417 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@H]3COc4ccccc43)C2)cc1 ZINC000305144767 434049952 /nfs/dbraw/zinc/04/99/52/434049952.db2.gz WWDNUOWFKFBADQ-RBUKOAKNSA-N 2 2 322.452 3.417 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)[C@H]1CCC[NH2+]1 ZINC000422851197 434051835 /nfs/dbraw/zinc/05/18/35/434051835.db2.gz WNXBAIXSWCSPTC-CXAGYDPISA-N 2 2 315.392 3.243 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352808427 434053453 /nfs/dbraw/zinc/05/34/53/434053453.db2.gz CLPUTTQLYAPGIR-RKOGWWSCSA-N 2 2 314.473 3.430 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352808427 434053457 /nfs/dbraw/zinc/05/34/57/434053457.db2.gz CLPUTTQLYAPGIR-RKOGWWSCSA-N 2 2 314.473 3.430 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000309952766 434102586 /nfs/dbraw/zinc/10/25/86/434102586.db2.gz HEJUCAOOZIUGBU-VQTJNVASSA-N 2 2 310.441 3.020 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000309952766 434102598 /nfs/dbraw/zinc/10/25/98/434102598.db2.gz HEJUCAOOZIUGBU-VQTJNVASSA-N 2 2 310.441 3.020 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000357623047 434105177 /nfs/dbraw/zinc/10/51/77/434105177.db2.gz ABFJWRSSFXHNHQ-UHFFFAOYSA-N 2 2 317.408 3.023 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422926237 434112887 /nfs/dbraw/zinc/11/28/87/434112887.db2.gz CIPZBVWUJPDBHZ-FXAWDEMLSA-N 3 2 317.521 3.176 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422926237 434112890 /nfs/dbraw/zinc/11/28/90/434112890.db2.gz CIPZBVWUJPDBHZ-FXAWDEMLSA-N 3 2 317.521 3.176 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2(C3CC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422932501 434117102 /nfs/dbraw/zinc/11/71/02/434117102.db2.gz FZXDXBYJLHZRQR-ROUUACIJSA-N 2 2 300.446 3.268 20 0 DGADLP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1C1CC1 ZINC000422932974 434117830 /nfs/dbraw/zinc/11/78/30/434117830.db2.gz CWOITPIHRUYKIY-RRFJBIMHSA-N 2 2 305.491 3.421 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000346106168 434118705 /nfs/dbraw/zinc/11/87/05/434118705.db2.gz XXALLJRWSGTAAN-UHFFFAOYSA-N 2 2 319.399 3.424 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000497128925 294005173 /nfs/dbraw/zinc/00/51/73/294005173.db2.gz MLMPVTKDTORPFE-LUVWLHFXSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000497128925 294005175 /nfs/dbraw/zinc/00/51/75/294005175.db2.gz MLMPVTKDTORPFE-LUVWLHFXSA-N 2 2 322.880 3.488 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422911094 434101389 /nfs/dbraw/zinc/10/13/89/434101389.db2.gz SEESQNFMZPWRIG-RHSMWYFYSA-N 2 2 322.880 3.118 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000309870925 434101395 /nfs/dbraw/zinc/10/13/95/434101395.db2.gz GQNGBOKEDOPNKO-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000309870925 434101405 /nfs/dbraw/zinc/10/14/05/434101405.db2.gz GQNGBOKEDOPNKO-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1sc(C[NH2+][C@@H](C)C2C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000422937080 294074424 /nfs/dbraw/zinc/07/44/24/294074424.db2.gz CEFRWVFQFSELEH-JTQLQIEISA-N 2 2 321.877 3.469 20 0 DGADLP Clc1ccc(C[C@@]2([NH2+]CC[NH+]3CCCCC3)CCOC2)cc1 ZINC000502590113 294170137 /nfs/dbraw/zinc/17/01/37/294170137.db2.gz BWUBHIKUPNINTH-SFHVURJKSA-N 2 2 322.880 3.117 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503942001 294205942 /nfs/dbraw/zinc/20/59/42/294205942.db2.gz OOPUQKUSSNSRPM-PQEBFOHHSA-N 2 2 324.415 3.257 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503942001 294205945 /nfs/dbraw/zinc/20/59/45/294205945.db2.gz OOPUQKUSSNSRPM-PQEBFOHHSA-N 2 2 324.415 3.257 20 0 DGADLP C[NH+](C)CCOc1ccc([NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000294665180 434128470 /nfs/dbraw/zinc/12/84/70/434128470.db2.gz CHVQLJJQKQNCER-MRXNPFEDSA-N 2 2 304.434 3.141 20 0 DGADLP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709565 294330844 /nfs/dbraw/zinc/33/08/44/294330844.db2.gz HYLUOOQBPWTTCJ-AZUAARDMSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709565 294330845 /nfs/dbraw/zinc/33/08/45/294330845.db2.gz HYLUOOQBPWTTCJ-AZUAARDMSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709565 294330846 /nfs/dbraw/zinc/33/08/46/294330846.db2.gz HYLUOOQBPWTTCJ-AZUAARDMSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709565 294330848 /nfs/dbraw/zinc/33/08/48/294330848.db2.gz HYLUOOQBPWTTCJ-AZUAARDMSA-N 3 2 317.521 3.219 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000509181816 294342183 /nfs/dbraw/zinc/34/21/83/294342183.db2.gz SIKIMRGTPGMQRI-QUCCMNQESA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000509181816 294342186 /nfs/dbraw/zinc/34/21/86/294342186.db2.gz SIKIMRGTPGMQRI-QUCCMNQESA-N 2 2 313.489 3.073 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509293011 294345311 /nfs/dbraw/zinc/34/53/11/294345311.db2.gz FLEMNRJSIBAVCK-KDURUIRLSA-N 2 2 315.505 3.177 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509293011 294345312 /nfs/dbraw/zinc/34/53/12/294345312.db2.gz FLEMNRJSIBAVCK-KDURUIRLSA-N 2 2 315.505 3.177 20 0 DGADLP COC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448487 294352852 /nfs/dbraw/zinc/35/28/52/294352852.db2.gz NQASQMKDFAIRMJ-JRGCBEDISA-N 2 2 324.468 3.279 20 0 DGADLP COC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448487 294352856 /nfs/dbraw/zinc/35/28/56/294352856.db2.gz NQASQMKDFAIRMJ-JRGCBEDISA-N 2 2 324.468 3.279 20 0 DGADLP CC[C@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000510562129 294386483 /nfs/dbraw/zinc/38/64/83/294386483.db2.gz ZRDIHIVCUNGVQV-QZTJIDSGSA-N 2 2 316.489 3.365 20 0 DGADLP CC[C@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000510562129 294386485 /nfs/dbraw/zinc/38/64/85/294386485.db2.gz ZRDIHIVCUNGVQV-QZTJIDSGSA-N 2 2 316.489 3.365 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422951417 434132368 /nfs/dbraw/zinc/13/23/68/434132368.db2.gz YLSUYRIASZIXMV-UONOGXRCSA-N 2 2 315.230 3.338 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422951416 434133615 /nfs/dbraw/zinc/13/36/15/434133615.db2.gz YLSUYRIASZIXMV-KGLIPLIRSA-N 2 2 315.230 3.338 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC000340454959 434138558 /nfs/dbraw/zinc/13/85/58/434138558.db2.gz MQRVNWJTDGGLCU-JJRVBVJISA-N 2 2 316.424 3.002 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC000340454959 434138563 /nfs/dbraw/zinc/13/85/63/434138563.db2.gz MQRVNWJTDGGLCU-JJRVBVJISA-N 2 2 316.424 3.002 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)[C@@H](C)C1 ZINC000340454961 434139032 /nfs/dbraw/zinc/13/90/32/434139032.db2.gz MQRVNWJTDGGLCU-ZQIUZPCESA-N 2 2 316.424 3.002 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)[C@@H](C)C1 ZINC000340454961 434139036 /nfs/dbraw/zinc/13/90/36/434139036.db2.gz MQRVNWJTDGGLCU-ZQIUZPCESA-N 2 2 316.424 3.002 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422967887 434141438 /nfs/dbraw/zinc/14/14/38/434141438.db2.gz UTWCBUDNHCCVPB-YOEHRIQHSA-N 2 2 303.450 3.023 20 0 DGADLP CCc1cc(NCc2[nH+]ccn2CCc2ccccc2)cc[nH+]1 ZINC000450378876 434142018 /nfs/dbraw/zinc/14/20/18/434142018.db2.gz OKCOUBPFVHRQCM-UHFFFAOYSA-N 2 2 306.413 3.117 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422966038 434144104 /nfs/dbraw/zinc/14/41/04/434144104.db2.gz MQMJCZTUCAFSPH-CEXWTWQISA-N 3 2 324.472 3.273 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCC(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000422969116 434145400 /nfs/dbraw/zinc/14/54/00/434145400.db2.gz TUOQFKZINDAICK-CABCVRRESA-N 2 2 316.367 3.420 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)C3C[NH+](C4CCCCC4)C3)cc2[nH+]1 ZINC000457401716 434146466 /nfs/dbraw/zinc/14/64/66/434146466.db2.gz MSMAASWTQCWHSW-UHFFFAOYSA-N 2 2 312.417 3.074 20 0 DGADLP Cc1[nH]c2cc(NC(=O)C3C[NH+](C4CCCCC4)C3)ccc2[nH+]1 ZINC000457401716 434146474 /nfs/dbraw/zinc/14/64/74/434146474.db2.gz MSMAASWTQCWHSW-UHFFFAOYSA-N 2 2 312.417 3.074 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccncc1F ZINC000340471548 434150002 /nfs/dbraw/zinc/15/00/02/434150002.db2.gz YEQGUJFRRDQPRG-OAHLLOKOSA-N 2 2 324.403 3.359 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccncc2F)[C@H](C)C1 ZINC000340475994 434152445 /nfs/dbraw/zinc/15/24/45/434152445.db2.gz DSOOYSYTGGDIPU-VKJFTORMSA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccncc2F)[C@H](C)C1 ZINC000340475994 434152455 /nfs/dbraw/zinc/15/24/55/434152455.db2.gz DSOOYSYTGGDIPU-VKJFTORMSA-N 2 2 323.456 3.008 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000314878935 434152809 /nfs/dbraw/zinc/15/28/09/434152809.db2.gz HIERBSVNDYYCQS-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000314878935 434152818 /nfs/dbraw/zinc/15/28/18/434152818.db2.gz HIERBSVNDYYCQS-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CC[NH2+][C@@H]3CC)cc2[nH+]1 ZINC000353461476 434152908 /nfs/dbraw/zinc/15/29/08/434152908.db2.gz RELGXDHTEWDOEO-UONOGXRCSA-N 2 2 314.433 3.232 20 0 DGADLP C(=C/c1ccccc1)\CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450409906 434158192 /nfs/dbraw/zinc/15/81/92/434158192.db2.gz UZETVTNTPDYAEE-CWFIWJMMSA-N 2 2 314.473 3.134 20 0 DGADLP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450409906 434158204 /nfs/dbraw/zinc/15/82/04/434158204.db2.gz UZETVTNTPDYAEE-CWFIWJMMSA-N 2 2 314.473 3.134 20 0 DGADLP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000295065532 434172026 /nfs/dbraw/zinc/17/20/26/434172026.db2.gz GWHFJDIDQVBPHF-HNNXBMFYSA-N 2 2 323.431 3.461 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063835 434172616 /nfs/dbraw/zinc/17/26/16/434172616.db2.gz YZYHEMLXTYRSGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063835 434172631 /nfs/dbraw/zinc/17/26/31/434172631.db2.gz YZYHEMLXTYRSGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000295063835 434172645 /nfs/dbraw/zinc/17/26/45/434172645.db2.gz YZYHEMLXTYRSGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000295063835 434172656 /nfs/dbraw/zinc/17/26/56/434172656.db2.gz YZYHEMLXTYRSGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000340515927 434175480 /nfs/dbraw/zinc/17/54/80/434175480.db2.gz HFZQAILUGMBTEJ-INDMIFKZSA-N 2 2 314.473 3.145 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C)[C@H](C)C3)sc2C1 ZINC000346183539 434178120 /nfs/dbraw/zinc/17/81/20/434178120.db2.gz WIGPWXNHYLXSHF-UONOGXRCSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](C)[C@H](C)C3)sc2C1 ZINC000346183539 434178133 /nfs/dbraw/zinc/17/81/33/434178133.db2.gz WIGPWXNHYLXSHF-UONOGXRCSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C)[C@H](C)C3)sc2C1 ZINC000346183539 434178144 /nfs/dbraw/zinc/17/81/44/434178144.db2.gz WIGPWXNHYLXSHF-UONOGXRCSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C)[C@H](C)C3)sc2C1 ZINC000346183539 434178150 /nfs/dbraw/zinc/17/81/50/434178150.db2.gz WIGPWXNHYLXSHF-UONOGXRCSA-N 2 2 307.507 3.388 20 0 DGADLP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439689 434180542 /nfs/dbraw/zinc/18/05/42/434180542.db2.gz SZHOXCGOMVETLG-ICSRJNTNSA-N 2 2 321.424 3.422 20 0 DGADLP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439689 434180550 /nfs/dbraw/zinc/18/05/50/434180550.db2.gz SZHOXCGOMVETLG-ICSRJNTNSA-N 2 2 321.424 3.422 20 0 DGADLP COc1ccc([C@H]([NH2+]C2Cc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423040032 434182734 /nfs/dbraw/zinc/18/27/34/434182734.db2.gz SFSLZMWOVPCNON-RTWAWAEBSA-N 2 2 322.452 3.245 20 0 DGADLP COc1ncc(C[NH2+]CCCc2c[nH+]ccc2C)cc1Cl ZINC000295081659 434185495 /nfs/dbraw/zinc/18/54/95/434185495.db2.gz SBZNBMILAMRELS-UHFFFAOYSA-N 2 2 305.809 3.169 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000423044004 434187621 /nfs/dbraw/zinc/18/76/21/434187621.db2.gz QLPQIQWIYLLNKX-IEBWSBKVSA-N 2 2 316.489 3.146 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423052807 434194322 /nfs/dbraw/zinc/19/43/22/434194322.db2.gz RFOFGUDWGJNQTQ-BONVTDFDSA-N 2 2 322.250 3.018 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423060616 434195635 /nfs/dbraw/zinc/19/56/35/434195635.db2.gz IPUIXOKPUKUQKO-YWZLYKJASA-N 2 2 324.472 3.055 20 0 DGADLP COc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423060198 434199278 /nfs/dbraw/zinc/19/92/78/434199278.db2.gz HPIKEKLCYKMNAP-QZTJIDSGSA-N 2 2 314.404 3.417 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000295102607 434200244 /nfs/dbraw/zinc/20/02/44/434200244.db2.gz SZGJGLAYADVIEP-ZHALLVOQSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000295102607 434200256 /nfs/dbraw/zinc/20/02/56/434200256.db2.gz SZGJGLAYADVIEP-ZHALLVOQSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000437076796 434209431 /nfs/dbraw/zinc/20/94/31/434209431.db2.gz POHUPZKEIODCQW-QAPCUYQASA-N 2 2 301.478 3.104 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000437076796 434209439 /nfs/dbraw/zinc/20/94/39/434209439.db2.gz POHUPZKEIODCQW-QAPCUYQASA-N 2 2 301.478 3.104 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423082168 434209520 /nfs/dbraw/zinc/20/95/20/434209520.db2.gz WGEINAACLYXERG-NWANDNLSSA-N 2 2 302.418 3.159 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000423091725 434212719 /nfs/dbraw/zinc/21/27/19/434212719.db2.gz YLNVWYCHAVYEQF-IZJGZUANSA-N 2 2 305.369 3.096 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000423139154 434242704 /nfs/dbraw/zinc/24/27/04/434242704.db2.gz YZURJIPBLVMCFL-WMLDXEAASA-N 2 2 322.880 3.162 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423192908 434276297 /nfs/dbraw/zinc/27/62/97/434276297.db2.gz QEQSZSHETSNXKS-UYAOXDASSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1cc(NC[C@H](C2CCCCC2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000346689019 434258236 /nfs/dbraw/zinc/25/82/36/434258236.db2.gz PNSARCCONWEEJS-MRXNPFEDSA-N 2 2 302.466 3.585 20 0 DGADLP CCn1cncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654261 434259606 /nfs/dbraw/zinc/25/96/06/434259606.db2.gz HWFYMPAGMPMTJB-WMZOPIPTSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654261 434259616 /nfs/dbraw/zinc/25/96/16/434259616.db2.gz HWFYMPAGMPMTJB-WMZOPIPTSA-N 2 2 312.461 3.046 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)[C@@H](C)C1 ZINC000353599666 434261560 /nfs/dbraw/zinc/26/15/60/434261560.db2.gz XFHSDQOCEQZEDH-ZYSHUDEJSA-N 2 2 314.473 3.010 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)[C@@H](C)C1 ZINC000353599666 434261567 /nfs/dbraw/zinc/26/15/67/434261567.db2.gz XFHSDQOCEQZEDH-ZYSHUDEJSA-N 2 2 314.473 3.010 20 0 DGADLP C[C@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423106115 434221783 /nfs/dbraw/zinc/22/17/83/434221783.db2.gz OHVQJVLBZAROGK-NZVBXONLSA-N 2 2 324.266 3.025 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCOc1ccccc1F)Cc1ccco1 ZINC000353554762 434226885 /nfs/dbraw/zinc/22/68/85/434226885.db2.gz LPKRUNJFYBMXPX-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@H+](C)CCOc1ccccc1F)Cc1ccco1 ZINC000353554762 434226895 /nfs/dbraw/zinc/22/68/95/434226895.db2.gz LPKRUNJFYBMXPX-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCOc1ccccc1F ZINC000353554762 434226901 /nfs/dbraw/zinc/22/69/01/434226901.db2.gz LPKRUNJFYBMXPX-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCOc1ccccc1F ZINC000353554762 434226908 /nfs/dbraw/zinc/22/69/08/434226908.db2.gz LPKRUNJFYBMXPX-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(OC(F)F)c1)CCC2 ZINC000364095359 434231269 /nfs/dbraw/zinc/23/12/69/434231269.db2.gz OFBBDVWFTJLKAJ-CQSZACIVSA-N 2 2 321.371 3.460 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)cc1OC ZINC000358005531 434281914 /nfs/dbraw/zinc/28/19/14/434281914.db2.gz NPWMUULFZYHGLQ-OFQRWUPVSA-N 2 2 306.450 3.085 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000358005531 434281921 /nfs/dbraw/zinc/28/19/21/434281921.db2.gz NPWMUULFZYHGLQ-OFQRWUPVSA-N 2 2 306.450 3.085 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000358010451 434287999 /nfs/dbraw/zinc/28/79/99/434287999.db2.gz XPYCTOVBEXUQFN-ROUUACIJSA-N 2 2 304.503 3.164 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000358010451 434288005 /nfs/dbraw/zinc/28/80/05/434288005.db2.gz XPYCTOVBEXUQFN-ROUUACIJSA-N 2 2 304.503 3.164 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423219422 434288638 /nfs/dbraw/zinc/28/86/38/434288638.db2.gz WPNMLTAOZOAGHJ-UONOGXRCSA-N 2 2 301.459 3.460 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000358022626 434290030 /nfs/dbraw/zinc/29/00/30/434290030.db2.gz XASRWYGAOUUYHM-HFBAOOFYSA-N 2 2 306.837 3.236 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000358022626 434290040 /nfs/dbraw/zinc/29/00/40/434290040.db2.gz XASRWYGAOUUYHM-HFBAOOFYSA-N 2 2 306.837 3.236 20 0 DGADLP O=C(CCC[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000384409822 434290312 /nfs/dbraw/zinc/29/03/12/434290312.db2.gz QSSWFOIXPITROJ-UHFFFAOYSA-N 2 2 300.446 3.210 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219374 434290406 /nfs/dbraw/zinc/29/04/06/434290406.db2.gz TYLVJWUTRZRAEK-BEFAXECRSA-N 2 2 322.456 3.372 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219374 434290416 /nfs/dbraw/zinc/29/04/16/434290416.db2.gz TYLVJWUTRZRAEK-BEFAXECRSA-N 2 2 322.456 3.372 20 0 DGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)Cc1scnc1C ZINC000348390686 434297112 /nfs/dbraw/zinc/29/71/12/434297112.db2.gz OPFFKDPCACQJTA-UHFFFAOYSA-N 2 2 319.474 3.236 20 0 DGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1scnc1C ZINC000348390686 434297118 /nfs/dbraw/zinc/29/71/18/434297118.db2.gz OPFFKDPCACQJTA-UHFFFAOYSA-N 2 2 319.474 3.236 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@@H](C)c1ccccc1 ZINC000423228813 434299368 /nfs/dbraw/zinc/29/93/68/434299368.db2.gz FGIGPSLCQAPQGJ-CVEARBPZSA-N 2 2 310.445 3.095 20 0 DGADLP FC(F)(F)Oc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231868 434300152 /nfs/dbraw/zinc/30/01/52/434300152.db2.gz HFYXXPIIJIPENV-DZGCQCFKSA-N 2 2 314.351 3.378 20 0 DGADLP c1ccc([C@@H]2CC[C@@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)cc1 ZINC000423238047 434305111 /nfs/dbraw/zinc/30/51/11/434305111.db2.gz UYXLUTTYVHTXIB-QZTJIDSGSA-N 2 2 322.456 3.239 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000423244475 434307953 /nfs/dbraw/zinc/30/79/53/434307953.db2.gz XQGZQECFKTUJDI-YPMHNXCESA-N 2 2 302.340 3.030 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(F)c1 ZINC000423243290 434310095 /nfs/dbraw/zinc/31/00/95/434310095.db2.gz ZUPJYTSXISZXAM-KRWDZBQOSA-N 2 2 314.408 3.194 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423248673 434310829 /nfs/dbraw/zinc/31/08/29/434310829.db2.gz RXCNDBQCEHBXMY-WBMJQRKESA-N 2 2 318.392 3.194 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423248945 434311061 /nfs/dbraw/zinc/31/10/61/434311061.db2.gz SFNWQLZTDAEJJJ-KBPBESRZSA-N 2 2 301.459 3.373 20 0 DGADLP CC(C)(CO)[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000348413948 434311978 /nfs/dbraw/zinc/31/19/78/434311978.db2.gz WVAJOMFTUGDZJQ-GOSISDBHSA-N 2 2 309.413 3.184 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423251317 434313448 /nfs/dbraw/zinc/31/34/48/434313448.db2.gz VXVRBOBJTZNCLQ-GDBMZVCRSA-N 2 2 324.440 3.034 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000423249049 434315865 /nfs/dbraw/zinc/31/58/65/434315865.db2.gz ODPXMOQOKNDGRC-SZMVWBNQSA-N 2 2 318.461 3.178 20 0 DGADLP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2csnn2)CC1)CC1CC1 ZINC000450657497 434321130 /nfs/dbraw/zinc/32/11/30/434321130.db2.gz ZWQJSISBVTUTNH-AWEZNQCLSA-N 2 2 322.522 3.433 20 0 DGADLP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2csnn2)CC1)CC1CC1 ZINC000450657497 434321137 /nfs/dbraw/zinc/32/11/37/434321137.db2.gz ZWQJSISBVTUTNH-AWEZNQCLSA-N 2 2 322.522 3.433 20 0 DGADLP CCOC(=O)[C@@H](CC)[N@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000348435664 434322002 /nfs/dbraw/zinc/32/20/02/434322002.db2.gz KSWOQUNNSKXEIV-QGZVFWFLSA-N 2 2 304.434 3.129 20 0 DGADLP CCOC(=O)[C@@H](CC)[N@@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000348435664 434322009 /nfs/dbraw/zinc/32/20/09/434322009.db2.gz KSWOQUNNSKXEIV-QGZVFWFLSA-N 2 2 304.434 3.129 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423266729 434323654 /nfs/dbraw/zinc/32/36/54/434323654.db2.gz CDESBBNEBNCAFK-PRHODGIISA-N 2 2 304.768 3.329 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC000423262434 434324473 /nfs/dbraw/zinc/32/44/73/434324473.db2.gz MMOZCCHJTWDZJC-NSISKUIASA-N 2 2 315.505 3.147 20 0 DGADLP COc1ncc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000423262866 434324680 /nfs/dbraw/zinc/32/46/80/434324680.db2.gz NOJDFUGYHVKFEA-ABAIWWIYSA-N 2 2 311.857 3.302 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423273109 434326827 /nfs/dbraw/zinc/32/68/27/434326827.db2.gz ZVMOLLKBTRRZTA-PWSUYJOCSA-N 2 2 304.356 3.451 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)sc1Br ZINC000423191259 434277146 /nfs/dbraw/zinc/27/71/46/434277146.db2.gz OURQBKBDKSCBTB-NXEZZACHSA-N 2 2 303.269 3.222 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423196491 434277409 /nfs/dbraw/zinc/27/74/09/434277409.db2.gz ZVDFSQLPVACHDK-SFNKJDCFSA-N 2 2 312.413 3.227 20 0 DGADLP CSC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423191758 434277917 /nfs/dbraw/zinc/27/79/17/434277917.db2.gz PFDOUYNTKLKBLZ-KBPBESRZSA-N 2 2 318.408 3.451 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000358001895 434278523 /nfs/dbraw/zinc/27/85/23/434278523.db2.gz FQAWSSMMZKSXRK-YOEHRIQHSA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000358001895 434278528 /nfs/dbraw/zinc/27/85/28/434278528.db2.gz FQAWSSMMZKSXRK-YOEHRIQHSA-N 2 2 318.461 3.056 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000390423968 434362399 /nfs/dbraw/zinc/36/23/99/434362399.db2.gz UAHXXKUDRDIKHW-UXHICEINSA-N 2 2 318.424 3.166 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423325514 434363283 /nfs/dbraw/zinc/36/32/83/434363283.db2.gz IWGZZNNILAHJMA-HNNXBMFYSA-N 2 2 317.477 3.050 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358171564 434364578 /nfs/dbraw/zinc/36/45/78/434364578.db2.gz RRKOREAHLRQQGJ-SJORKVTESA-N 2 2 320.477 3.237 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358198701 434380607 /nfs/dbraw/zinc/38/06/07/434380607.db2.gz YURYTKCRLOPJNC-OAUYIBNBSA-N 2 2 308.853 3.100 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358198701 434380613 /nfs/dbraw/zinc/38/06/13/434380613.db2.gz YURYTKCRLOPJNC-OAUYIBNBSA-N 2 2 308.853 3.100 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358198696 434382022 /nfs/dbraw/zinc/38/20/22/434382022.db2.gz YURYTKCRLOPJNC-CSMYWGQOSA-N 2 2 308.853 3.100 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358198696 434382032 /nfs/dbraw/zinc/38/20/32/434382032.db2.gz YURYTKCRLOPJNC-CSMYWGQOSA-N 2 2 308.853 3.100 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423368568 434383339 /nfs/dbraw/zinc/38/33/39/434383339.db2.gz NIVRORVODXXEIK-GXFFZTMASA-N 2 2 305.422 3.263 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423371123 434384331 /nfs/dbraw/zinc/38/43/31/434384331.db2.gz AJWPCGVBFAYYIZ-DOTOQJQBSA-N 2 2 306.425 3.189 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000423371331 434390082 /nfs/dbraw/zinc/39/00/82/434390082.db2.gz QECXYZDOTKIGKN-RISCZKNCSA-N 2 2 312.417 3.157 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423279914 434338100 /nfs/dbraw/zinc/33/81/00/434338100.db2.gz SBTNUJIMTNIBLO-KDOFPFPSSA-N 2 2 312.461 3.185 20 0 DGADLP CSC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423281728 434338827 /nfs/dbraw/zinc/33/88/27/434338827.db2.gz UPPYPFHQINKJRG-KBPBESRZSA-N 2 2 318.408 3.436 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423288783 434344368 /nfs/dbraw/zinc/34/43/68/434344368.db2.gz UZHLUKOPXMQZHO-WMZOPIPTSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288783 434344380 /nfs/dbraw/zinc/34/43/80/434344380.db2.gz UZHLUKOPXMQZHO-WMZOPIPTSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423294825 434345590 /nfs/dbraw/zinc/34/55/90/434345590.db2.gz CVHUQEPMOPBUKX-BHIYHBOVSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423294825 434345603 /nfs/dbraw/zinc/34/56/03/434345603.db2.gz CVHUQEPMOPBUKX-BHIYHBOVSA-N 3 2 303.494 3.004 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289043 434346694 /nfs/dbraw/zinc/34/66/94/434346694.db2.gz VXPYLNCUKQWSAV-GBESFXJTSA-N 3 2 315.505 3.004 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289043 434346701 /nfs/dbraw/zinc/34/67/01/434346701.db2.gz VXPYLNCUKQWSAV-GBESFXJTSA-N 3 2 315.505 3.004 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000389237737 434348421 /nfs/dbraw/zinc/34/84/21/434348421.db2.gz KBVAVWKOGHDPJT-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000389237737 434348430 /nfs/dbraw/zinc/34/84/30/434348430.db2.gz KBVAVWKOGHDPJT-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000423304385 434351209 /nfs/dbraw/zinc/35/12/09/434351209.db2.gz YNQUJPHUWFUYIP-ROUUACIJSA-N 2 2 301.409 3.417 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000358150751 434352441 /nfs/dbraw/zinc/35/24/41/434352441.db2.gz GWRWYAPTGRGQLV-CRAIPNDOSA-N 2 2 302.462 3.109 20 0 DGADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417315569 434353595 /nfs/dbraw/zinc/35/35/95/434353595.db2.gz SJHAOOPMYQYPGJ-AYDFFVQHSA-N 2 2 310.532 3.267 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358154161 434354675 /nfs/dbraw/zinc/35/46/75/434354675.db2.gz NDNYCSCBKYZMFF-IEBWSBKVSA-N 2 2 304.478 3.474 20 0 DGADLP CCN(C)c1ccc(CNc2[nH+]c3cc(C)ccc3n2CC)c[nH+]1 ZINC000358377929 434391215 /nfs/dbraw/zinc/39/12/15/434391215.db2.gz JNXRDQWULNQTFZ-UHFFFAOYSA-N 2 2 323.444 3.828 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCC1 ZINC000423317154 434357863 /nfs/dbraw/zinc/35/78/63/434357863.db2.gz CKVRWKOUNMYMNM-GFCCVEGCSA-N 2 2 313.214 3.047 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cnn(C(C)C)c1)CCC2 ZINC000366210684 434357851 /nfs/dbraw/zinc/35/78/51/434357851.db2.gz PGRPXBUSHCTCQP-HUUCEWRRSA-N 2 2 301.438 3.197 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(C)n1 ZINC000287415059 434358563 /nfs/dbraw/zinc/35/85/63/434358563.db2.gz RSWNWJMSVVQYJN-RZQQEMMASA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(C)n1 ZINC000287415059 434358571 /nfs/dbraw/zinc/35/85/71/434358571.db2.gz RSWNWJMSVVQYJN-RZQQEMMASA-N 2 2 324.472 3.407 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390548428 434360530 /nfs/dbraw/zinc/36/05/30/434360530.db2.gz AGNWIVMNNSWMFN-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390548428 434360535 /nfs/dbraw/zinc/36/05/35/434360535.db2.gz AGNWIVMNNSWMFN-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423384602 434394682 /nfs/dbraw/zinc/39/46/82/434394682.db2.gz KCMJWMXQYOJDMB-RDTXWAMCSA-N 2 2 320.477 3.441 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1cscn1 ZINC000450761362 434395118 /nfs/dbraw/zinc/39/51/18/434395118.db2.gz RFXHPFAHLQANKJ-SFHVURJKSA-N 2 2 317.502 3.432 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1cscn1 ZINC000450761362 434395135 /nfs/dbraw/zinc/39/51/35/434395135.db2.gz RFXHPFAHLQANKJ-SFHVURJKSA-N 2 2 317.502 3.432 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423388908 434396553 /nfs/dbraw/zinc/39/65/53/434396553.db2.gz NDBLHUZOGBHOHZ-DYVFJYSZSA-N 2 2 303.450 3.074 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]CC[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000438082553 434399371 /nfs/dbraw/zinc/39/93/71/434399371.db2.gz UBIDINBZVKJEHZ-QUCCMNQESA-N 2 2 316.489 3.476 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@@H](C)O1 ZINC000519677211 294784892 /nfs/dbraw/zinc/78/48/92/294784892.db2.gz WSRUZYFDMWNQOU-ZIAGYGMSSA-N 2 2 312.404 3.213 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423393421 434400410 /nfs/dbraw/zinc/40/04/10/434400410.db2.gz MFQPMYDXHYLXQM-QFBILLFUSA-N 3 2 321.484 3.316 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@H]1CCOC1 ZINC000438100283 434402622 /nfs/dbraw/zinc/40/26/22/434402622.db2.gz CDRLKDHUVBWMHC-DLBZAZTESA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@H]1CCOC1 ZINC000438100283 434402628 /nfs/dbraw/zinc/40/26/28/434402628.db2.gz CDRLKDHUVBWMHC-DLBZAZTESA-N 2 2 313.445 3.236 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092245 434404250 /nfs/dbraw/zinc/40/42/50/434404250.db2.gz JBQNQMKFKRKDHV-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092245 434404257 /nfs/dbraw/zinc/40/42/57/434404257.db2.gz JBQNQMKFKRKDHV-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092245 434404263 /nfs/dbraw/zinc/40/42/63/434404263.db2.gz JBQNQMKFKRKDHV-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438092245 434404270 /nfs/dbraw/zinc/40/42/70/434404270.db2.gz JBQNQMKFKRKDHV-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750637 434404544 /nfs/dbraw/zinc/40/45/44/434404544.db2.gz WGPOWXFNOFCDLR-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750637 434404551 /nfs/dbraw/zinc/40/45/51/434404551.db2.gz WGPOWXFNOFCDLR-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750637 434404560 /nfs/dbraw/zinc/40/45/60/434404560.db2.gz WGPOWXFNOFCDLR-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750637 434404568 /nfs/dbraw/zinc/40/45/68/434404568.db2.gz WGPOWXFNOFCDLR-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752301 434405731 /nfs/dbraw/zinc/40/57/31/434405731.db2.gz RZROOEOSIRHDQC-DOTOQJQBSA-N 2 2 318.461 3.153 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752301 434405738 /nfs/dbraw/zinc/40/57/38/434405738.db2.gz RZROOEOSIRHDQC-DOTOQJQBSA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752301 434405748 /nfs/dbraw/zinc/40/57/48/434405748.db2.gz RZROOEOSIRHDQC-DOTOQJQBSA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752301 434405756 /nfs/dbraw/zinc/40/57/56/434405756.db2.gz RZROOEOSIRHDQC-DOTOQJQBSA-N 2 2 318.461 3.153 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)cn1 ZINC000287585715 434405771 /nfs/dbraw/zinc/40/57/71/434405771.db2.gz HQSWDXDXIUYSMN-KGLIPLIRSA-N 2 2 309.429 3.000 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(F)cn1 ZINC000287585715 434405778 /nfs/dbraw/zinc/40/57/78/434405778.db2.gz HQSWDXDXIUYSMN-KGLIPLIRSA-N 2 2 309.429 3.000 20 0 DGADLP C[N@H+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450785284 434406860 /nfs/dbraw/zinc/40/68/60/434406860.db2.gz AERQFVPZCKXQOI-XIRDDKMYSA-N 2 2 323.431 3.442 20 0 DGADLP C[N@@H+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450785284 434406867 /nfs/dbraw/zinc/40/68/67/434406867.db2.gz AERQFVPZCKXQOI-XIRDDKMYSA-N 2 2 323.431 3.442 20 0 DGADLP C[NH+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450785284 434406873 /nfs/dbraw/zinc/40/68/73/434406873.db2.gz AERQFVPZCKXQOI-XIRDDKMYSA-N 2 2 323.431 3.442 20 0 DGADLP C[NH+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450785284 434406878 /nfs/dbraw/zinc/40/68/78/434406878.db2.gz AERQFVPZCKXQOI-XIRDDKMYSA-N 2 2 323.431 3.442 20 0 DGADLP COC[C@@]1(C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CCC[NH2+]1 ZINC000423409300 434409601 /nfs/dbraw/zinc/40/96/01/434409601.db2.gz BPJZXMLURFXIHL-WMZOPIPTSA-N 2 2 320.502 3.199 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CCCC[NH2+]1 ZINC000395126896 434409665 /nfs/dbraw/zinc/40/96/65/434409665.db2.gz OJPKRFVLJYQHFS-CABZTGNLSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329443863 434411516 /nfs/dbraw/zinc/41/15/16/434411516.db2.gz CBFZJIRSWWYUTC-OWCLPIDISA-N 2 2 310.445 3.286 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423413826 434411561 /nfs/dbraw/zinc/41/15/61/434411561.db2.gz BBGPPPIAZYHWOI-IJXRJRJASA-N 2 2 314.473 3.058 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329443863 434411526 /nfs/dbraw/zinc/41/15/26/434411526.db2.gz CBFZJIRSWWYUTC-OWCLPIDISA-N 2 2 310.445 3.286 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC000423414804 434411914 /nfs/dbraw/zinc/41/19/14/434411914.db2.gz CNTHYYNYTZLKNJ-LEWJYISDSA-N 2 2 324.468 3.329 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438119243 434413669 /nfs/dbraw/zinc/41/36/69/434413669.db2.gz ZMNQDCLWJYQSNX-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438119243 434413677 /nfs/dbraw/zinc/41/36/77/434413677.db2.gz ZMNQDCLWJYQSNX-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395141102 434414994 /nfs/dbraw/zinc/41/49/94/434414994.db2.gz HKYXVCPMKUNVJP-SXLOBPIMSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395141102 434415008 /nfs/dbraw/zinc/41/50/08/434415008.db2.gz HKYXVCPMKUNVJP-SXLOBPIMSA-N 3 2 315.505 3.019 20 0 DGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423438535 434426220 /nfs/dbraw/zinc/42/62/20/434426220.db2.gz UYXPKBDWZRIGMC-FZMZJTMJSA-N 2 2 302.871 3.211 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348643502 434428529 /nfs/dbraw/zinc/42/85/29/434428529.db2.gz LYDTUOAIUCEJRL-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348643502 434428542 /nfs/dbraw/zinc/42/85/42/434428542.db2.gz LYDTUOAIUCEJRL-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348643502 434428552 /nfs/dbraw/zinc/42/85/52/434428552.db2.gz LYDTUOAIUCEJRL-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348643502 434428565 /nfs/dbraw/zinc/42/85/65/434428565.db2.gz LYDTUOAIUCEJRL-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2ccccc2c1OC(F)F ZINC000423445567 434428694 /nfs/dbraw/zinc/42/86/94/434428694.db2.gz YDATUCIACHLRFU-XGVBPZLHSA-N 2 2 318.367 3.310 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438194185 434431989 /nfs/dbraw/zinc/43/19/89/434431989.db2.gz YUCRACLBXYESIH-RBUKOAKNSA-N 2 2 304.478 3.055 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438194185 434432000 /nfs/dbraw/zinc/43/20/00/434432000.db2.gz YUCRACLBXYESIH-RBUKOAKNSA-N 2 2 304.478 3.055 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000397259204 434432817 /nfs/dbraw/zinc/43/28/17/434432817.db2.gz GPEQJEPWKINBGJ-FOGDFJRCSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000397259204 434432829 /nfs/dbraw/zinc/43/28/29/434432829.db2.gz GPEQJEPWKINBGJ-FOGDFJRCSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1C[NH3+] ZINC000397344987 434436169 /nfs/dbraw/zinc/43/61/69/434436169.db2.gz GCFIIKQHOURVSL-MGPQQGTHSA-N 2 2 316.474 3.010 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1C[NH3+] ZINC000397344987 434436178 /nfs/dbraw/zinc/43/61/78/434436178.db2.gz GCFIIKQHOURVSL-MGPQQGTHSA-N 2 2 316.474 3.010 20 0 DGADLP Cc1ccc([C@H](C[NH2+]CC[C@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000438220582 434438229 /nfs/dbraw/zinc/43/82/29/434438229.db2.gz TWPPZCPKHOQVAW-HKUYNNGSSA-N 2 2 302.462 3.148 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(F)cn1 ZINC000287817585 434459613 /nfs/dbraw/zinc/45/96/13/434459613.db2.gz UZPLRPSAYBSFGW-CABCVRRESA-N 2 2 323.456 3.248 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(F)cn1 ZINC000287817585 434459619 /nfs/dbraw/zinc/45/96/19/434459619.db2.gz UZPLRPSAYBSFGW-CABCVRRESA-N 2 2 323.456 3.248 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C12CCCC2 ZINC000423509301 434467502 /nfs/dbraw/zinc/46/75/02/434467502.db2.gz JKHJHZBHCWSMIH-ZSYWTGECSA-N 2 2 314.473 3.069 20 0 DGADLP CC[N@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1c1ncc[nH]1 ZINC000360004142 434468919 /nfs/dbraw/zinc/46/89/19/434468919.db2.gz BKMFEFWMOOUOJQ-GOSISDBHSA-N 2 2 321.428 3.150 20 0 DGADLP CCN1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000360004142 434468926 /nfs/dbraw/zinc/46/89/26/434468926.db2.gz BKMFEFWMOOUOJQ-GOSISDBHSA-N 2 2 321.428 3.150 20 0 DGADLP CC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H]1C ZINC000423520232 434471032 /nfs/dbraw/zinc/47/10/32/434471032.db2.gz DYMBMHJHAIAAFY-WDSOQIARSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423522485 434473801 /nfs/dbraw/zinc/47/38/01/434473801.db2.gz MIOPZZBIXLDUBI-DOMZBBRYSA-N 2 2 320.433 3.193 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)c1 ZINC000423529184 434474875 /nfs/dbraw/zinc/47/48/75/434474875.db2.gz OCYSFLJDZGCZGI-RYGJVYDSSA-N 2 2 310.441 3.410 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353850376 434477948 /nfs/dbraw/zinc/47/79/48/434477948.db2.gz WKNBFKAROWMRGG-LMMKCTJWSA-N 2 2 312.461 3.087 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353850376 434477957 /nfs/dbraw/zinc/47/79/57/434477957.db2.gz WKNBFKAROWMRGG-LMMKCTJWSA-N 2 2 312.461 3.087 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534969 434479157 /nfs/dbraw/zinc/47/91/57/434479157.db2.gz WWGZBCGMULMVCS-GBESFXJTSA-N 2 2 308.425 3.115 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000400599263 434490108 /nfs/dbraw/zinc/49/01/08/434490108.db2.gz CFHIDQLHNHJLLU-RBUKOAKNSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000400599263 434490115 /nfs/dbraw/zinc/49/01/15/434490115.db2.gz CFHIDQLHNHJLLU-RBUKOAKNSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000400599262 434491807 /nfs/dbraw/zinc/49/18/07/434491807.db2.gz CFHIDQLHNHJLLU-OALUTQOASA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000400599262 434491813 /nfs/dbraw/zinc/49/18/13/434491813.db2.gz CFHIDQLHNHJLLU-OALUTQOASA-N 2 2 304.478 3.159 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000423498794 434457907 /nfs/dbraw/zinc/45/79/07/434457907.db2.gz CELPPVUKCYJKKX-HZMBPMFUSA-N 2 2 303.233 3.023 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)s1 ZINC000353897282 434507169 /nfs/dbraw/zinc/50/71/69/434507169.db2.gz HSBXKGYAKBLMEY-UHFFFAOYSA-N 2 2 318.490 3.087 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404350281 434512880 /nfs/dbraw/zinc/51/28/80/434512880.db2.gz IWGRGCSTFXKZFG-BLLLJJGKSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404350281 434512890 /nfs/dbraw/zinc/51/28/90/434512890.db2.gz IWGRGCSTFXKZFG-BLLLJJGKSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000353909711 434519363 /nfs/dbraw/zinc/51/93/63/434519363.db2.gz BFRNRVYBOOHKKV-IBGZPJMESA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCSCC1 ZINC000348836601 434519566 /nfs/dbraw/zinc/51/95/66/434519566.db2.gz DQRWDPRYAOORTO-ZDUSSCGKSA-N 2 2 302.447 3.270 20 0 DGADLP COCCOc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000353916431 434521042 /nfs/dbraw/zinc/52/10/42/434521042.db2.gz OQFZHSKSLYVBCR-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000417812559 434528018 /nfs/dbraw/zinc/52/80/18/434528018.db2.gz OPUMITPWMOCZPZ-INIZCTEOSA-N 2 2 305.809 3.210 20 0 DGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000417812559 434528029 /nfs/dbraw/zinc/52/80/29/434528029.db2.gz OPUMITPWMOCZPZ-INIZCTEOSA-N 2 2 305.809 3.210 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000353927937 434532934 /nfs/dbraw/zinc/53/29/34/434532934.db2.gz JNBRWHLBATXBJU-VDGAXYAQSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000353927937 434532942 /nfs/dbraw/zinc/53/29/42/434532942.db2.gz JNBRWHLBATXBJU-VDGAXYAQSA-N 2 2 316.489 3.084 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)N2CCc3ccccc32)c[nH+]1 ZINC000353932080 434533835 /nfs/dbraw/zinc/53/38/35/434533835.db2.gz LLOUCDAPKZMRRD-QGZVFWFLSA-N 2 2 309.457 3.363 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000353935478 434534961 /nfs/dbraw/zinc/53/49/61/434534961.db2.gz ZXBIMDSMRYZHAP-UHFFFAOYSA-N 3 2 323.484 3.361 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000353935478 434534969 /nfs/dbraw/zinc/53/49/69/434534969.db2.gz ZXBIMDSMRYZHAP-UHFFFAOYSA-N 3 2 323.484 3.361 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c[nH+]1 ZINC000348864913 434535754 /nfs/dbraw/zinc/53/57/54/434535754.db2.gz CPSCQYYNEGGNRI-OAHLLOKOSA-N 2 2 316.367 3.102 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c[nH+]1 ZINC000348864913 434535762 /nfs/dbraw/zinc/53/57/62/434535762.db2.gz CPSCQYYNEGGNRI-OAHLLOKOSA-N 2 2 316.367 3.102 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(Br)ccc2C)C1 ZINC000438905618 434539624 /nfs/dbraw/zinc/53/96/24/434539624.db2.gz RCLFMGPVEPFZJS-IUODEOHRSA-N 2 2 311.267 3.187 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(Br)ccc2C)C1 ZINC000438905618 434539629 /nfs/dbraw/zinc/53/96/29/434539629.db2.gz RCLFMGPVEPFZJS-IUODEOHRSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000438907118 434540315 /nfs/dbraw/zinc/54/03/15/434540315.db2.gz KLTPMXMGMRLLDS-WFASDCNBSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000438907118 434540323 /nfs/dbraw/zinc/54/03/23/434540323.db2.gz KLTPMXMGMRLLDS-WFASDCNBSA-N 2 2 323.278 3.472 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@H](C)[NH3+] ZINC000423805277 434542956 /nfs/dbraw/zinc/54/29/56/434542956.db2.gz CTBTUALFNKCPIY-ZBEGNZNMSA-N 2 2 314.433 3.009 20 0 DGADLP Cc1[nH+]cc(CN(CC[NH+](C)C)CC(C)C)n1-c1ccccc1 ZINC000348898600 434549249 /nfs/dbraw/zinc/54/92/49/434549249.db2.gz YGULTFRPPYSDTP-UHFFFAOYSA-N 2 2 314.477 3.200 20 0 DGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000360248927 434558569 /nfs/dbraw/zinc/55/85/69/434558569.db2.gz JSVJNBZKWCKTHL-INIZCTEOSA-N 2 2 310.441 3.499 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000360248927 434558573 /nfs/dbraw/zinc/55/85/73/434558573.db2.gz JSVJNBZKWCKTHL-INIZCTEOSA-N 2 2 310.441 3.499 20 0 DGADLP COC[C@H](C)C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111524 295078614 /nfs/dbraw/zinc/07/86/14/295078614.db2.gz WGABZATVZHSUKJ-APWZRJJASA-N 2 2 318.505 3.332 20 0 DGADLP COC[C@H](C)C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111524 295078618 /nfs/dbraw/zinc/07/86/18/295078618.db2.gz WGABZATVZHSUKJ-APWZRJJASA-N 2 2 318.505 3.332 20 0 DGADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000408406504 434571430 /nfs/dbraw/zinc/57/14/30/434571430.db2.gz INWKRTDAMXJZFZ-UHFFFAOYSA-N 2 2 304.438 3.001 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527647327 295109280 /nfs/dbraw/zinc/10/92/80/295109280.db2.gz CGJAFQLFXBIZSQ-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527647327 295109281 /nfs/dbraw/zinc/10/92/81/295109281.db2.gz CGJAFQLFXBIZSQ-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP OCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527655868 295111058 /nfs/dbraw/zinc/11/10/58/295111058.db2.gz SXRCYVXZMLOYFA-ZCNNSNEGSA-N 2 2 316.489 3.149 20 0 DGADLP OCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527655868 295111060 /nfs/dbraw/zinc/11/10/60/295111060.db2.gz SXRCYVXZMLOYFA-ZCNNSNEGSA-N 2 2 316.489 3.149 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672269 295113674 /nfs/dbraw/zinc/11/36/74/295113674.db2.gz GMSHLZOFWQMAAX-CABZTGNLSA-N 2 2 304.381 3.339 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672269 295113676 /nfs/dbraw/zinc/11/36/76/295113676.db2.gz GMSHLZOFWQMAAX-CABZTGNLSA-N 2 2 304.381 3.339 20 0 DGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527753196 295125883 /nfs/dbraw/zinc/12/58/83/295125883.db2.gz QXIZLZJRDGHWQE-QEJZJMRPSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527753196 295125884 /nfs/dbraw/zinc/12/58/84/295125884.db2.gz QXIZLZJRDGHWQE-QEJZJMRPSA-N 2 2 320.399 3.093 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011964 434573507 /nfs/dbraw/zinc/57/35/07/434573507.db2.gz YHWQQEDEHJIGQV-ZBFHGGJFSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011964 434573518 /nfs/dbraw/zinc/57/35/18/434573518.db2.gz YHWQQEDEHJIGQV-ZBFHGGJFSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011964 434573524 /nfs/dbraw/zinc/57/35/24/434573524.db2.gz YHWQQEDEHJIGQV-ZBFHGGJFSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011964 434573531 /nfs/dbraw/zinc/57/35/31/434573531.db2.gz YHWQQEDEHJIGQV-ZBFHGGJFSA-N 2 2 323.506 3.158 20 0 DGADLP COc1ccc[nH+]c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000527863259 295142513 /nfs/dbraw/zinc/14/25/13/295142513.db2.gz HVKJBWBKXIPBSF-CQSZACIVSA-N 2 2 317.458 3.476 20 0 DGADLP COc1ccc[nH+]c1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000527863259 295142515 /nfs/dbraw/zinc/14/25/15/295142515.db2.gz HVKJBWBKXIPBSF-CQSZACIVSA-N 2 2 317.458 3.476 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000527998307 295162631 /nfs/dbraw/zinc/16/26/31/295162631.db2.gz YDYBDVKPEJESPO-HXPMCKFVSA-N 2 2 315.436 3.230 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000527998307 295162632 /nfs/dbraw/zinc/16/26/32/295162632.db2.gz YDYBDVKPEJESPO-HXPMCKFVSA-N 2 2 315.436 3.230 20 0 DGADLP Cc1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)ccc1Oc1cc[nH+]cc1 ZINC000423912493 434577304 /nfs/dbraw/zinc/57/73/04/434577304.db2.gz TYKYYIRCMVGENC-APWZRJJASA-N 2 2 323.396 3.120 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000422949241 295246128 /nfs/dbraw/zinc/24/61/28/295246128.db2.gz UOCDCQZMJDFFTM-BFUOFWGJSA-N 2 2 314.404 3.121 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420832 434584719 /nfs/dbraw/zinc/58/47/19/434584719.db2.gz GMYMTBATJVESIF-VQIMIIECSA-N 3 2 307.526 3.103 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000349130425 434613684 /nfs/dbraw/zinc/61/36/84/434613684.db2.gz OHGHDNPKXRJCEO-BAABZTOOSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000349130425 434613687 /nfs/dbraw/zinc/61/36/87/434613687.db2.gz OHGHDNPKXRJCEO-BAABZTOOSA-N 2 2 303.356 3.201 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459570992 434613839 /nfs/dbraw/zinc/61/38/39/434613839.db2.gz QGRSSPOKVNLDQE-BEFAXECRSA-N 2 2 322.456 3.107 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459570992 434613844 /nfs/dbraw/zinc/61/38/44/434613844.db2.gz QGRSSPOKVNLDQE-BEFAXECRSA-N 2 2 322.456 3.107 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000371008604 434631651 /nfs/dbraw/zinc/63/16/51/434631651.db2.gz YQSIGAVUPXOCNS-GPMSIDNRSA-N 2 2 313.445 3.432 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000371008604 434631655 /nfs/dbraw/zinc/63/16/55/434631655.db2.gz YQSIGAVUPXOCNS-GPMSIDNRSA-N 2 2 313.445 3.432 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c[nH+]1 ZINC000354145726 434640631 /nfs/dbraw/zinc/64/06/31/434640631.db2.gz GHDCPRPDEIWEQY-IBGZPJMESA-N 2 2 315.436 3.354 20 0 DGADLP OC[C@H](CC1CCCCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000418130557 434597828 /nfs/dbraw/zinc/59/78/28/434597828.db2.gz UWNMQTCZDJWPPE-SFHVURJKSA-N 2 2 313.445 3.293 20 0 DGADLP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000360425261 434602238 /nfs/dbraw/zinc/60/22/38/434602238.db2.gz AAOMKBWZKLONKU-RTBURBONSA-N 2 2 302.462 3.187 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccn(C)n1 ZINC000459747220 434695118 /nfs/dbraw/zinc/69/51/18/434695118.db2.gz JEJOMTJMIDYODB-VKJFTORMSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354177371 434657846 /nfs/dbraw/zinc/65/78/46/434657846.db2.gz PJWXGAFBXPFSRF-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354177371 434657852 /nfs/dbraw/zinc/65/78/52/434657852.db2.gz PJWXGAFBXPFSRF-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354177371 434657857 /nfs/dbraw/zinc/65/78/57/434657857.db2.gz PJWXGAFBXPFSRF-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354177371 434657861 /nfs/dbraw/zinc/65/78/61/434657861.db2.gz PJWXGAFBXPFSRF-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c[nH+]1 ZINC000349380929 434699528 /nfs/dbraw/zinc/69/95/28/434699528.db2.gz GISHWXQXEQUXRN-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205794 434666836 /nfs/dbraw/zinc/66/68/36/434666836.db2.gz JCLRSPJTTRUDMF-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205794 434666846 /nfs/dbraw/zinc/66/68/46/434666846.db2.gz JCLRSPJTTRUDMF-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205794 434666855 /nfs/dbraw/zinc/66/68/55/434666855.db2.gz JCLRSPJTTRUDMF-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205794 434666865 /nfs/dbraw/zinc/66/68/65/434666865.db2.gz JCLRSPJTTRUDMF-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)C1 ZINC000349313226 434667676 /nfs/dbraw/zinc/66/76/76/434667676.db2.gz NZRGPHDQCRMTMF-WDYCEAGBSA-N 2 2 320.477 3.091 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)C1 ZINC000349313226 434667682 /nfs/dbraw/zinc/66/76/82/434667682.db2.gz NZRGPHDQCRMTMF-WDYCEAGBSA-N 2 2 320.477 3.091 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnn(-c2ccccc2)c1 ZINC000349343462 434683341 /nfs/dbraw/zinc/68/33/41/434683341.db2.gz GLMCKOCEOKLWDS-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnn(-c2ccccc2)c1 ZINC000349343462 434683348 /nfs/dbraw/zinc/68/33/48/434683348.db2.gz GLMCKOCEOKLWDS-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000360964922 434746074 /nfs/dbraw/zinc/74/60/74/434746074.db2.gz YUKCXFXJNVTZPL-OAHLLOKOSA-N 2 2 310.445 3.051 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000360964922 434746079 /nfs/dbraw/zinc/74/60/79/434746079.db2.gz YUKCXFXJNVTZPL-OAHLLOKOSA-N 2 2 310.445 3.051 20 0 DGADLP Cn1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(C(F)F)n1 ZINC000360973892 434749073 /nfs/dbraw/zinc/74/90/73/434749073.db2.gz GISJLYFYEZUARM-UHFFFAOYSA-N 2 2 314.424 3.102 20 0 DGADLP Cn1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(C(F)F)n1 ZINC000360973892 434749078 /nfs/dbraw/zinc/74/90/78/434749078.db2.gz GISJLYFYEZUARM-UHFFFAOYSA-N 2 2 314.424 3.102 20 0 DGADLP COc1ccc(F)cc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000360976032 434752886 /nfs/dbraw/zinc/75/28/86/434752886.db2.gz XKDHXOSNOJCVGS-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000424336412 434701084 /nfs/dbraw/zinc/70/10/84/434701084.db2.gz QOLWQEHPSDPWGM-HUUCEWRRSA-N 2 2 305.809 3.355 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000424337912 434703303 /nfs/dbraw/zinc/70/33/03/434703303.db2.gz SRHCIBMFZFRGGH-CHWSQXEVSA-N 2 2 317.658 3.462 20 0 DGADLP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[N@H+](C)Cc1ccccc1 ZINC000424341153 434706497 /nfs/dbraw/zinc/70/64/97/434706497.db2.gz INWLVERGOMNUJV-AWEZNQCLSA-N 2 2 314.433 3.381 20 0 DGADLP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[N@@H+](C)Cc1ccccc1 ZINC000424341153 434706503 /nfs/dbraw/zinc/70/65/03/434706503.db2.gz INWLVERGOMNUJV-AWEZNQCLSA-N 2 2 314.433 3.381 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c1OCCCO2 ZINC000349413152 434709860 /nfs/dbraw/zinc/70/98/60/434709860.db2.gz CXUYOFSPQJOXED-UHFFFAOYSA-N 2 2 318.461 3.156 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c1OCCCO2 ZINC000349413152 434709867 /nfs/dbraw/zinc/70/98/67/434709867.db2.gz CXUYOFSPQJOXED-UHFFFAOYSA-N 2 2 318.461 3.156 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379664 434715344 /nfs/dbraw/zinc/71/53/44/434715344.db2.gz OTDNGTYHMSTBBP-QZTJIDSGSA-N 2 2 312.461 3.355 20 0 DGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1c[nH+]c2c(C)cccn12 ZINC000460665909 434765998 /nfs/dbraw/zinc/76/59/98/434765998.db2.gz CJUHEFFTGNGSFL-UHFFFAOYSA-N 2 2 319.412 3.933 20 0 DGADLP CCOC(=O)[C@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411370301 434768759 /nfs/dbraw/zinc/76/87/59/434768759.db2.gz OAFNFSWOQKPJQO-INIZCTEOSA-N 2 2 318.461 3.056 20 0 DGADLP CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411370301 434768763 /nfs/dbraw/zinc/76/87/63/434768763.db2.gz OAFNFSWOQKPJQO-INIZCTEOSA-N 2 2 318.461 3.056 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361028494 434771899 /nfs/dbraw/zinc/77/18/99/434771899.db2.gz CTFOHSDGRHYDDX-HLIPFELVSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361028494 434771904 /nfs/dbraw/zinc/77/19/04/434771904.db2.gz CTFOHSDGRHYDDX-HLIPFELVSA-N 2 2 309.457 3.123 20 0 DGADLP Cn1ccnc1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411406086 434776906 /nfs/dbraw/zinc/77/69/06/434776906.db2.gz BFUOOSSJNREONX-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP Cn1ccnc1C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411406086 434776909 /nfs/dbraw/zinc/77/69/09/434776909.db2.gz BFUOOSSJNREONX-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP Cc1cc(C)cc(OCCC[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000411427123 434779873 /nfs/dbraw/zinc/77/98/73/434779873.db2.gz QFVATWXHJDOJJR-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP Cc1cc(C)cc(OCCC[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000411427123 434779879 /nfs/dbraw/zinc/77/98/79/434779879.db2.gz QFVATWXHJDOJJR-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000361058102 434782057 /nfs/dbraw/zinc/78/20/57/434782057.db2.gz IJMHOFCPHHUSCF-JSGCOSHPSA-N 2 2 306.475 3.304 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1SC ZINC000361058102 434782063 /nfs/dbraw/zinc/78/20/63/434782063.db2.gz IJMHOFCPHHUSCF-JSGCOSHPSA-N 2 2 306.475 3.304 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000453109258 434802296 /nfs/dbraw/zinc/80/22/96/434802296.db2.gz AFESEAGNMGAXDY-CRAIPNDOSA-N 2 2 310.445 3.143 20 0 DGADLP c1cn(CCCC2CC[NH+](CCc3cncs3)CC2)c[nH+]1 ZINC000411502260 434790862 /nfs/dbraw/zinc/79/08/62/434790862.db2.gz IZDUSZJZDFTVBJ-UHFFFAOYSA-N 2 2 304.463 3.075 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000361081192 434791088 /nfs/dbraw/zinc/79/10/88/434791088.db2.gz XBGORECHKOIZDI-TXPKVOOTSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000361081192 434791093 /nfs/dbraw/zinc/79/10/93/434791093.db2.gz XBGORECHKOIZDI-TXPKVOOTSA-N 2 2 312.461 3.389 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077006 434792640 /nfs/dbraw/zinc/79/26/40/434792640.db2.gz AGHYGIVVYVIEDL-CABCVRRESA-N 2 2 316.474 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077006 434792643 /nfs/dbraw/zinc/79/26/43/434792643.db2.gz AGHYGIVVYVIEDL-CABCVRRESA-N 2 2 316.474 3.101 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453121494 434808098 /nfs/dbraw/zinc/80/80/98/434808098.db2.gz XDPCZEXJLHQWDK-GOSISDBHSA-N 2 2 308.510 3.434 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000453143038 434816273 /nfs/dbraw/zinc/81/62/73/434816273.db2.gz UTZGMFSUVQRJTL-SJORKVTESA-N 2 2 314.477 3.464 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453143038 434816274 /nfs/dbraw/zinc/81/62/74/434816274.db2.gz UTZGMFSUVQRJTL-SJORKVTESA-N 2 2 314.477 3.464 20 0 DGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOCC23CC3)c1 ZINC000411689827 434816743 /nfs/dbraw/zinc/81/67/43/434816743.db2.gz GLCLHYVGELMLDV-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOCC23CC3)c1 ZINC000411689827 434816745 /nfs/dbraw/zinc/81/67/45/434816745.db2.gz GLCLHYVGELMLDV-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000372407175 434823054 /nfs/dbraw/zinc/82/30/54/434823054.db2.gz LHZKSVUSXKFERB-QGZVFWFLSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000372407175 434823060 /nfs/dbraw/zinc/82/30/60/434823060.db2.gz LHZKSVUSXKFERB-QGZVFWFLSA-N 2 2 318.509 3.173 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000453230405 434835214 /nfs/dbraw/zinc/83/52/14/434835214.db2.gz XGHBIXMKQBZVAD-QGZVFWFLSA-N 2 2 316.493 3.044 20 0 DGADLP CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000412058552 434863480 /nfs/dbraw/zinc/86/34/80/434863480.db2.gz AVJDWUPTHDHRJM-INIZCTEOSA-N 2 2 321.465 3.107 20 0 DGADLP CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000412058552 434863482 /nfs/dbraw/zinc/86/34/82/434863482.db2.gz AVJDWUPTHDHRJM-INIZCTEOSA-N 2 2 321.465 3.107 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCO1 ZINC000453243061 434838878 /nfs/dbraw/zinc/83/88/78/434838878.db2.gz YFRUOBHJLMOOEB-MLGOLLRUSA-N 2 2 305.809 3.183 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)CCC2 ZINC000361239336 434839146 /nfs/dbraw/zinc/83/91/46/434839146.db2.gz YODDCEZXTDZRJT-XHSDSOJGSA-N 2 2 305.466 3.251 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(F)F ZINC000453251395 434840341 /nfs/dbraw/zinc/84/03/41/434840341.db2.gz TVEFUFCGTSAACH-SWLSCSKDSA-N 2 2 300.393 3.321 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411911205 434843277 /nfs/dbraw/zinc/84/32/77/434843277.db2.gz VTRAHZDUWGWBDL-AWEZNQCLSA-N 2 2 321.465 3.166 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411911205 434843289 /nfs/dbraw/zinc/84/32/89/434843289.db2.gz VTRAHZDUWGWBDL-AWEZNQCLSA-N 2 2 321.465 3.166 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261586 434843880 /nfs/dbraw/zinc/84/38/80/434843880.db2.gz RYGXFRSHMBUKBZ-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261586 434843883 /nfs/dbraw/zinc/84/38/83/434843883.db2.gz RYGXFRSHMBUKBZ-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000453263669 434844414 /nfs/dbraw/zinc/84/44/14/434844414.db2.gz LVAOTLLXFHDZHH-WOJBJXKFSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000453263669 434844417 /nfs/dbraw/zinc/84/44/17/434844417.db2.gz LVAOTLLXFHDZHH-WOJBJXKFSA-N 2 2 316.489 3.354 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000453270208 434846400 /nfs/dbraw/zinc/84/64/00/434846400.db2.gz SBTJJYCXMYKCCP-RBUKOAKNSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000453270208 434846402 /nfs/dbraw/zinc/84/64/02/434846402.db2.gz SBTJJYCXMYKCCP-RBUKOAKNSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000453270209 434846523 /nfs/dbraw/zinc/84/65/23/434846523.db2.gz SBTJJYCXMYKCCP-RTBURBONSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000453270209 434846527 /nfs/dbraw/zinc/84/65/27/434846527.db2.gz SBTJJYCXMYKCCP-RTBURBONSA-N 2 2 304.478 3.137 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000453290475 434849206 /nfs/dbraw/zinc/84/92/06/434849206.db2.gz NGRJXGGJQRJHKA-UXHICEINSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000453290475 434849210 /nfs/dbraw/zinc/84/92/10/434849210.db2.gz NGRJXGGJQRJHKA-UXHICEINSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000453282843 434849376 /nfs/dbraw/zinc/84/93/76/434849376.db2.gz HYLMFAOXRIJJFW-OLZOCXBDSA-N 2 2 300.393 3.321 20 0 DGADLP Cc1[nH]c(CNC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[nH+]c1C ZINC000573459987 434901371 /nfs/dbraw/zinc/90/13/71/434901371.db2.gz RUVBPPDBHVPTTN-SFHVURJKSA-N 2 2 312.461 3.262 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000573016189 434868767 /nfs/dbraw/zinc/86/87/67/434868767.db2.gz JSUTZKPLSARMHZ-OAHLLOKOSA-N 2 2 315.392 3.012 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000573016189 434868768 /nfs/dbraw/zinc/86/87/68/434868768.db2.gz JSUTZKPLSARMHZ-OAHLLOKOSA-N 2 2 315.392 3.012 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000573054736 434870217 /nfs/dbraw/zinc/87/02/17/434870217.db2.gz BYYWIACVNTZAEZ-MAUKXSAKSA-N 2 2 313.445 3.380 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000573054736 434870221 /nfs/dbraw/zinc/87/02/21/434870221.db2.gz BYYWIACVNTZAEZ-MAUKXSAKSA-N 2 2 313.445 3.380 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000554557453 434936354 /nfs/dbraw/zinc/93/63/54/434936354.db2.gz OIBNAUVMZCFHIB-NEWSRXKRSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000554557453 434936361 /nfs/dbraw/zinc/93/63/61/434936361.db2.gz OIBNAUVMZCFHIB-NEWSRXKRSA-N 2 2 314.473 3.056 20 0 DGADLP C[N@H+](CC[NH2+]C1(c2ccccc2)CCOCC1)Cc1ccccc1 ZINC000574030559 434943695 /nfs/dbraw/zinc/94/36/95/434943695.db2.gz JGUZVZUKECPSCH-UHFFFAOYSA-N 2 2 324.468 3.414 20 0 DGADLP C[N@@H+](CC[NH2+]C1(c2ccccc2)CCOCC1)Cc1ccccc1 ZINC000574030559 434943698 /nfs/dbraw/zinc/94/36/98/434943698.db2.gz JGUZVZUKECPSCH-UHFFFAOYSA-N 2 2 324.468 3.414 20 0 DGADLP CC[NH2+][C@@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000638075793 434946563 /nfs/dbraw/zinc/94/65/63/434946563.db2.gz TWHBYCNBYGDZRD-AWEZNQCLSA-N 2 2 322.412 3.246 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CCC2 ZINC000574124807 434951547 /nfs/dbraw/zinc/95/15/47/434951547.db2.gz KGMVUWLPWCLJLT-TZMCWYRMSA-N 2 2 322.449 3.072 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(-c3ccncc3)c1)C2 ZINC000554981545 434956587 /nfs/dbraw/zinc/95/65/87/434956587.db2.gz CQKNULWWHRPTGK-KRWDZBQOSA-N 2 2 304.397 3.119 20 0 DGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(-c3ccncc3)c1)CC2 ZINC000554981545 434956591 /nfs/dbraw/zinc/95/65/91/434956591.db2.gz CQKNULWWHRPTGK-KRWDZBQOSA-N 2 2 304.397 3.119 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CS[C@H](C)C1 ZINC000638186433 434975051 /nfs/dbraw/zinc/97/50/51/434975051.db2.gz TZLKLUHMDAQYOW-HUUCEWRRSA-N 2 2 305.491 3.053 20 0 DGADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554372480 434925739 /nfs/dbraw/zinc/92/57/39/434925739.db2.gz MDCWDSFFVWTWEQ-KZULUSFZSA-N 2 2 304.409 3.112 20 0 DGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccns3)C2)c1 ZINC000638447405 435032782 /nfs/dbraw/zinc/03/27/82/435032782.db2.gz JOKUYZYVIPCQLQ-CYBMUJFWSA-N 2 2 307.488 3.206 20 0 DGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccns3)C2)c1 ZINC000638447405 435032785 /nfs/dbraw/zinc/03/27/85/435032785.db2.gz JOKUYZYVIPCQLQ-CYBMUJFWSA-N 2 2 307.488 3.206 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[nH]1 ZINC000574757778 435001857 /nfs/dbraw/zinc/00/18/57/435001857.db2.gz MUPNVUADLPWBDF-GDBMZVCRSA-N 2 2 319.497 3.061 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(CO)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000638324881 435004520 /nfs/dbraw/zinc/00/45/20/435004520.db2.gz DUXKSOTUULEVOL-UHFFFAOYSA-N 2 2 324.468 3.105 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(CO)cc1)[N@H+]1CCc2ccccc2C1 ZINC000638324881 435004523 /nfs/dbraw/zinc/00/45/23/435004523.db2.gz DUXKSOTUULEVOL-UHFFFAOYSA-N 2 2 324.468 3.105 20 0 DGADLP CC(C)(C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000638324462 435004943 /nfs/dbraw/zinc/00/49/43/435004943.db2.gz ABPMFBFNELZEOQ-UHFFFAOYSA-N 2 2 324.472 3.013 20 0 DGADLP CC(C)(C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCc2ccccc2C1 ZINC000638324462 435004947 /nfs/dbraw/zinc/00/49/47/435004947.db2.gz ABPMFBFNELZEOQ-UHFFFAOYSA-N 2 2 324.472 3.013 20 0 DGADLP CO[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000638340931 435009370 /nfs/dbraw/zinc/00/93/70/435009370.db2.gz GIRKHHCPXVZSCD-LJQANCHMSA-N 2 2 313.445 3.226 20 0 DGADLP CO[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC(C)C ZINC000638344291 435009544 /nfs/dbraw/zinc/00/95/44/435009544.db2.gz TUILHNIHIMIXRB-SFHVURJKSA-N 2 2 301.434 3.082 20 0 DGADLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@H]2C1 ZINC000557644150 435061582 /nfs/dbraw/zinc/06/15/82/435061582.db2.gz QPMHLMHOVWIDLP-LRDDRELGSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@H]2C1 ZINC000557644150 435061583 /nfs/dbraw/zinc/06/15/83/435061583.db2.gz QPMHLMHOVWIDLP-LRDDRELGSA-N 2 2 301.821 3.419 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCc2ccc(C)cc2)CC1 ZINC000638636394 435062698 /nfs/dbraw/zinc/06/26/98/435062698.db2.gz BBHFDZIZKWURCI-UHFFFAOYSA-N 2 2 304.478 3.017 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000638700384 435072875 /nfs/dbraw/zinc/07/28/75/435072875.db2.gz QORONJZMIGVOPZ-FVQBIDKESA-N 2 2 301.459 3.188 20 0 DGADLP CCOC1CC(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000638702315 435074846 /nfs/dbraw/zinc/07/48/46/435074846.db2.gz ZTKVYTITSMXQGQ-VJFUWPCTSA-N 2 2 313.445 3.109 20 0 DGADLP CC(C)[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000578314015 435075416 /nfs/dbraw/zinc/07/54/16/435075416.db2.gz QMXWBUJYEOEZGU-MRXNPFEDSA-N 2 2 320.868 3.141 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCC[C@H]2CCO2)c(C)c1 ZINC000638779654 435088599 /nfs/dbraw/zinc/08/85/99/435088599.db2.gz KUWVBORJJJHEST-HKUYNNGSSA-N 2 2 313.445 3.400 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424218 435091337 /nfs/dbraw/zinc/09/13/37/435091337.db2.gz YACBMOPDKILNAA-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424218 435091338 /nfs/dbraw/zinc/09/13/38/435091338.db2.gz YACBMOPDKILNAA-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424218 435091343 /nfs/dbraw/zinc/09/13/43/435091343.db2.gz YACBMOPDKILNAA-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424218 435091346 /nfs/dbraw/zinc/09/13/46/435091346.db2.gz YACBMOPDKILNAA-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638788459 435089382 /nfs/dbraw/zinc/08/93/82/435089382.db2.gz KBLSSLHCILOZOP-ZENOOKHLSA-N 2 2 309.404 3.240 20 0 DGADLP Cc1ccc([C@H](C[NH2+]CCC[C@H]2CCO2)[NH+]2CCCC2)cc1 ZINC000638455982 435035591 /nfs/dbraw/zinc/03/55/91/435035591.db2.gz ZNHLMFBSRUJTMA-OALUTQOASA-N 2 2 302.462 3.291 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466273 435037428 /nfs/dbraw/zinc/03/74/28/435037428.db2.gz IITNVXAOUPZMOK-YVWKXTFCSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466273 435037430 /nfs/dbraw/zinc/03/74/30/435037430.db2.gz IITNVXAOUPZMOK-YVWKXTFCSA-N 3 2 315.505 3.284 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000556935031 435038507 /nfs/dbraw/zinc/03/85/07/435038507.db2.gz VSPKMCYTIDEDBW-GOSISDBHSA-N 2 2 310.445 3.141 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000556935032 435038997 /nfs/dbraw/zinc/03/89/97/435038997.db2.gz VSPKMCYTIDEDBW-SFHVURJKSA-N 2 2 310.445 3.141 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000578519047 435089910 /nfs/dbraw/zinc/08/99/10/435089910.db2.gz MUMRWHUVKQLXQH-OCCSQVGLSA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000578519047 435089914 /nfs/dbraw/zinc/08/99/14/435089914.db2.gz MUMRWHUVKQLXQH-OCCSQVGLSA-N 2 2 317.458 3.130 20 0 DGADLP CC(C)O[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000638581937 435054240 /nfs/dbraw/zinc/05/42/40/435054240.db2.gz HVSFBGYONNHNLR-MOPGFXCFSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)O[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000638581937 435054244 /nfs/dbraw/zinc/05/42/44/435054244.db2.gz HVSFBGYONNHNLR-MOPGFXCFSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000532197352 435147577 /nfs/dbraw/zinc/14/75/77/435147577.db2.gz LDSVHESUPQJKOF-QWQRMKEZSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000532197352 435147580 /nfs/dbraw/zinc/14/75/80/435147580.db2.gz LDSVHESUPQJKOF-QWQRMKEZSA-N 2 2 322.880 3.416 20 0 DGADLP CCc1ccc([C@H](C[NH2+]CCC(C)(C)C(=O)OC)[NH+](C)C)cc1 ZINC000474468423 435147678 /nfs/dbraw/zinc/14/76/78/435147678.db2.gz AIWWFYSDVSPXKA-KRWDZBQOSA-N 2 2 320.477 3.031 20 0 DGADLP C[NH+](C)[C@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000638848254 435102434 /nfs/dbraw/zinc/10/24/34/435102434.db2.gz WKWVWKJYTQKWDW-WIYYLYMNSA-N 2 2 323.484 3.405 20 0 DGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)/C=C/c3[nH]cc[nH+]3)c2C1 ZINC000493077946 435104146 /nfs/dbraw/zinc/10/41/46/435104146.db2.gz ZJVAXZUJZCWWHN-VOTSOKGWSA-N 2 2 324.428 3.423 20 0 DGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)/C=C/c3[nH]cc[nH+]3)c2C1 ZINC000493077946 435104150 /nfs/dbraw/zinc/10/41/50/435104150.db2.gz ZJVAXZUJZCWWHN-VOTSOKGWSA-N 2 2 324.428 3.423 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469085827 435129115 /nfs/dbraw/zinc/12/91/15/435129115.db2.gz QIYBYOMRKQXWDN-IHPCNDPISA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469085827 435129119 /nfs/dbraw/zinc/12/91/19/435129119.db2.gz QIYBYOMRKQXWDN-IHPCNDPISA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469085827 435129121 /nfs/dbraw/zinc/12/91/21/435129121.db2.gz QIYBYOMRKQXWDN-IHPCNDPISA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469085827 435129126 /nfs/dbraw/zinc/12/91/26/435129126.db2.gz QIYBYOMRKQXWDN-IHPCNDPISA-N 3 2 321.553 3.351 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(CO)cc1)[NH+](C)C ZINC000639091884 435150255 /nfs/dbraw/zinc/15/02/55/435150255.db2.gz SKVSGIGSNPYANB-JXFKEZNVSA-N 2 2 312.457 3.268 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000559542196 435133879 /nfs/dbraw/zinc/13/38/79/435133879.db2.gz WKGSIQZICBEYRE-ZDUSSCGKSA-N 2 2 305.422 3.141 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000559542196 435133881 /nfs/dbraw/zinc/13/38/81/435133881.db2.gz WKGSIQZICBEYRE-ZDUSSCGKSA-N 2 2 305.422 3.141 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC[C@@H]1CCO1 ZINC000639051911 435136629 /nfs/dbraw/zinc/13/66/29/435136629.db2.gz ARQSGKMNPYLTJA-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC[C@@H]1CCO1 ZINC000639051911 435136632 /nfs/dbraw/zinc/13/66/32/435136632.db2.gz ARQSGKMNPYLTJA-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(n2cccn2)C1)C1CC1 ZINC000639061861 435141284 /nfs/dbraw/zinc/14/12/84/435141284.db2.gz TYHKHJRZJZGPSP-SOAGJPPSSA-N 2 2 324.472 3.087 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(n2cccn2)C1)C1CC1 ZINC000639061861 435141287 /nfs/dbraw/zinc/14/12/87/435141287.db2.gz TYHKHJRZJZGPSP-SOAGJPPSSA-N 2 2 324.472 3.087 20 0 DGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060886 435144493 /nfs/dbraw/zinc/14/44/93/435144493.db2.gz SAAUKVASQYCPQA-RWQQGDIJSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@@H]([NH2+][C@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060886 435144496 /nfs/dbraw/zinc/14/44/96/435144496.db2.gz SAAUKVASQYCPQA-RWQQGDIJSA-N 2 2 306.494 3.188 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(Cl)c1N ZINC000639174738 435184486 /nfs/dbraw/zinc/18/44/86/435184486.db2.gz FJYNNRPWXNCRQZ-UHFFFAOYSA-N 2 2 313.232 3.294 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(Cl)c1N ZINC000639174738 435184490 /nfs/dbraw/zinc/18/44/90/435184490.db2.gz FJYNNRPWXNCRQZ-UHFFFAOYSA-N 2 2 313.232 3.294 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cccc(F)c2N)CC1 ZINC000639180364 435187284 /nfs/dbraw/zinc/18/72/84/435187284.db2.gz YBVDLWHKBKUCRK-UHFFFAOYSA-N 2 2 317.408 3.097 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccc(F)c2N)CC1 ZINC000639180364 435187287 /nfs/dbraw/zinc/18/72/87/435187287.db2.gz YBVDLWHKBKUCRK-UHFFFAOYSA-N 2 2 317.408 3.097 20 0 DGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2F)CC1 ZINC000639199375 435195117 /nfs/dbraw/zinc/19/51/17/435195117.db2.gz MJWARBJNGHHPPA-UHFFFAOYSA-N 2 2 320.452 3.028 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1N(C)C ZINC000580024124 435199656 /nfs/dbraw/zinc/19/96/56/435199656.db2.gz GCCNIPWITNNOFR-CQSZACIVSA-N 2 2 304.413 3.219 20 0 DGADLP Cc1ccc([C@@H]2CSCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000580089481 435203837 /nfs/dbraw/zinc/20/38/37/435203837.db2.gz GXJUISHVWDCXJE-SFHVURJKSA-N 2 2 315.486 3.451 20 0 DGADLP Cc1ccc([C@@H]2CSCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000580089481 435203843 /nfs/dbraw/zinc/20/38/43/435203843.db2.gz GXJUISHVWDCXJE-SFHVURJKSA-N 2 2 315.486 3.451 20 0 DGADLP Cc1ccc([C@H]2CSCC[N@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000580089480 435203900 /nfs/dbraw/zinc/20/39/00/435203900.db2.gz GXJUISHVWDCXJE-GOSISDBHSA-N 2 2 315.486 3.451 20 0 DGADLP Cc1ccc([C@H]2CSCC[N@@H+]2CCCc2c[nH+]cn2C)cc1 ZINC000580089480 435203903 /nfs/dbraw/zinc/20/39/03/435203903.db2.gz GXJUISHVWDCXJE-GOSISDBHSA-N 2 2 315.486 3.451 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560268356 435157628 /nfs/dbraw/zinc/15/76/28/435157628.db2.gz VXIIOOIRZOXGBF-QGZVFWFLSA-N 2 2 311.429 3.395 20 0 DGADLP O=C(/C=C\c1[nH]cc[nH+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000493369900 435158267 /nfs/dbraw/zinc/15/82/67/435158267.db2.gz OKSXXCDZRYRLHW-FPLPWBNLSA-N 2 2 310.401 3.048 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000532378285 435162094 /nfs/dbraw/zinc/16/20/94/435162094.db2.gz FIHGAQYITLAGDA-QGZVFWFLSA-N 2 2 321.896 3.336 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000532378285 435162098 /nfs/dbraw/zinc/16/20/98/435162098.db2.gz FIHGAQYITLAGDA-QGZVFWFLSA-N 2 2 321.896 3.336 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000474818410 435163158 /nfs/dbraw/zinc/16/31/58/435163158.db2.gz TUHJXKRJPZXMQN-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000474818410 435163162 /nfs/dbraw/zinc/16/31/62/435163162.db2.gz TUHJXKRJPZXMQN-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000474818413 435163416 /nfs/dbraw/zinc/16/34/16/435163416.db2.gz TUHJXKRJPZXMQN-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000474818413 435163421 /nfs/dbraw/zinc/16/34/21/435163421.db2.gz TUHJXKRJPZXMQN-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000532440692 435165813 /nfs/dbraw/zinc/16/58/13/435165813.db2.gz FKIDZJPZGWCCCI-APWZRJJASA-N 2 2 304.478 3.256 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574780 435180050 /nfs/dbraw/zinc/18/00/50/435180050.db2.gz OYFUQZLXSDXKBA-CXAGYDPISA-N 2 2 317.864 3.367 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574780 435180053 /nfs/dbraw/zinc/18/00/53/435180053.db2.gz OYFUQZLXSDXKBA-CXAGYDPISA-N 2 2 317.864 3.367 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000639177304 435183392 /nfs/dbraw/zinc/18/33/92/435183392.db2.gz RNTZUGTXXKJUMG-KRWDZBQOSA-N 2 2 315.465 3.042 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000639177304 435183397 /nfs/dbraw/zinc/18/33/97/435183397.db2.gz RNTZUGTXXKJUMG-KRWDZBQOSA-N 2 2 315.465 3.042 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639175501 435183465 /nfs/dbraw/zinc/18/34/65/435183465.db2.gz PBYJDONSPBUBHA-UHFFFAOYSA-N 2 2 316.355 3.232 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639175501 435183470 /nfs/dbraw/zinc/18/34/70/435183470.db2.gz PBYJDONSPBUBHA-UHFFFAOYSA-N 2 2 316.355 3.232 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)c1 ZINC000642341760 435223402 /nfs/dbraw/zinc/22/34/02/435223402.db2.gz VVSUQIGBIQYAFW-IRXDYDNUSA-N 2 2 317.477 3.176 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000475682163 435208691 /nfs/dbraw/zinc/20/86/91/435208691.db2.gz OGBJGKQHSVVASS-NEWSRXKRSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000475682163 435208693 /nfs/dbraw/zinc/20/86/93/435208693.db2.gz OGBJGKQHSVVASS-NEWSRXKRSA-N 2 2 318.505 3.426 20 0 DGADLP CCC[C@@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241721 435210735 /nfs/dbraw/zinc/21/07/35/435210735.db2.gz HSCNGYYHZDYBMU-AWEZNQCLSA-N 2 2 310.404 3.150 20 0 DGADLP CCC[C@@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241721 435210738 /nfs/dbraw/zinc/21/07/38/435210738.db2.gz HSCNGYYHZDYBMU-AWEZNQCLSA-N 2 2 310.404 3.150 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820821 435246628 /nfs/dbraw/zinc/24/66/28/435246628.db2.gz QKFRIONGVLCIJW-RTBURBONSA-N 2 2 316.489 3.306 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820821 435246635 /nfs/dbraw/zinc/24/66/35/435246635.db2.gz QKFRIONGVLCIJW-RTBURBONSA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820821 435246644 /nfs/dbraw/zinc/24/66/44/435246644.db2.gz QKFRIONGVLCIJW-RTBURBONSA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820821 435246649 /nfs/dbraw/zinc/24/66/49/435246649.db2.gz QKFRIONGVLCIJW-RTBURBONSA-N 2 2 316.489 3.306 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639336252 435248734 /nfs/dbraw/zinc/24/87/34/435248734.db2.gz AFZBEAHYGDECBI-XLIONFOSSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639336252 435248738 /nfs/dbraw/zinc/24/87/38/435248738.db2.gz AFZBEAHYGDECBI-XLIONFOSSA-N 2 2 324.472 3.361 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065891 435264901 /nfs/dbraw/zinc/26/49/01/435264901.db2.gz HOBSGZJHDRQDSO-XLIONFOSSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065891 435264906 /nfs/dbraw/zinc/26/49/06/435264906.db2.gz HOBSGZJHDRQDSO-XLIONFOSSA-N 2 2 310.441 3.293 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000639374205 435270931 /nfs/dbraw/zinc/27/09/31/435270931.db2.gz DHNWZAXYDDFLOA-UHFFFAOYSA-N 2 2 305.491 3.471 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000639375576 435270940 /nfs/dbraw/zinc/27/09/40/435270940.db2.gz XKUBSWCWCOQSKX-UHFFFAOYSA-N 2 2 304.482 3.088 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000534237287 435272712 /nfs/dbraw/zinc/27/27/12/435272712.db2.gz GHKBMQPKOPNLTI-KSSFIOAISA-N 2 2 322.880 3.275 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648355427 435273767 /nfs/dbraw/zinc/27/37/67/435273767.db2.gz DNEHBLRXWKWFMA-UHFFFAOYSA-N 2 2 307.825 3.397 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648355427 435273773 /nfs/dbraw/zinc/27/37/73/435273773.db2.gz DNEHBLRXWKWFMA-UHFFFAOYSA-N 2 2 307.825 3.397 20 0 DGADLP CCOc1cncc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)c1 ZINC000639376195 435273804 /nfs/dbraw/zinc/27/38/04/435273804.db2.gz XOAPVPDOIIMMHP-UHFFFAOYSA-N 2 2 317.477 3.321 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000639376781 435274051 /nfs/dbraw/zinc/27/40/51/435274051.db2.gz ZOPASOAYCASSJJ-UHFFFAOYSA-N 2 2 312.461 3.403 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000639376010 435274668 /nfs/dbraw/zinc/27/46/68/435274668.db2.gz PCENWOKXBQNJNU-UHFFFAOYSA-N 2 2 324.472 3.470 20 0 DGADLP Cc1nc2ccc(C[N@@H+](C)[C@@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000639396930 435284700 /nfs/dbraw/zinc/28/47/00/435284700.db2.gz MDFQZVVKVFAUAH-MRXNPFEDSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+](C)[C@@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000639396930 435284704 /nfs/dbraw/zinc/28/47/04/435284704.db2.gz MDFQZVVKVFAUAH-MRXNPFEDSA-N 2 2 301.459 3.131 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000639396863 435286233 /nfs/dbraw/zinc/28/62/33/435286233.db2.gz KRIPCMACRZYMAN-KRWDZBQOSA-N 2 2 313.470 3.336 20 0 DGADLP Brc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000584231525 435288474 /nfs/dbraw/zinc/28/84/74/435288474.db2.gz AKIMJFUSHQGYSM-HNNXBMFYSA-N 2 2 309.251 3.025 20 0 DGADLP Brc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000584231525 435288477 /nfs/dbraw/zinc/28/84/77/435288477.db2.gz AKIMJFUSHQGYSM-HNNXBMFYSA-N 2 2 309.251 3.025 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC34CCC(CC3)C4)c12 ZINC000534497555 435292587 /nfs/dbraw/zinc/29/25/87/435292587.db2.gz YYIXGYCHFLLSSJ-UHFFFAOYSA-N 2 2 320.400 3.203 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000643025399 435261108 /nfs/dbraw/zinc/26/11/08/435261108.db2.gz KXIIBAZRTYCJKB-IMJJTQAJSA-N 2 2 311.429 3.115 20 0 DGADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000648495187 435320970 /nfs/dbraw/zinc/32/09/70/435320970.db2.gz OXUCJFUFWCHUGH-QGZVFWFLSA-N 2 2 309.457 3.267 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000511626472 435326591 /nfs/dbraw/zinc/32/65/91/435326591.db2.gz JAUXNUBHVPLQAX-AEDISCFBSA-N 2 2 314.473 3.451 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000511626472 435326598 /nfs/dbraw/zinc/32/65/98/435326598.db2.gz JAUXNUBHVPLQAX-AEDISCFBSA-N 2 2 314.473 3.451 20 0 DGADLP Brc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501221 435337687 /nfs/dbraw/zinc/33/76/87/435337687.db2.gz AJJHXGDKFVXJQR-XHDPSFHLSA-N 2 2 309.251 3.168 20 0 DGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc(F)cc(Br)c1 ZINC000643506621 435338045 /nfs/dbraw/zinc/33/80/45/435338045.db2.gz DFZQHGKQFDNSMQ-CQSZACIVSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000643502175 435338994 /nfs/dbraw/zinc/33/89/94/435338994.db2.gz ZGCBDEWTZLCBHI-GXTWGEPZSA-N 2 2 316.367 3.420 20 0 DGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CCCC[NH2+]1)CCC2 ZINC000643501786 435339516 /nfs/dbraw/zinc/33/95/16/435339516.db2.gz PVCUCHLVILPJHE-WMZOPIPTSA-N 2 2 300.446 3.121 20 0 DGADLP COC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643501935 435339659 /nfs/dbraw/zinc/33/96/59/435339659.db2.gz UBVDRPHIIKJJRR-CABCVRRESA-N 2 2 316.367 3.125 20 0 DGADLP Brc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)s1 ZINC000643507780 435340081 /nfs/dbraw/zinc/34/00/81/435340081.db2.gz PGUGORITXZLLKO-CYBMUJFWSA-N 2 2 315.280 3.303 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000643527585 435342933 /nfs/dbraw/zinc/34/29/33/435342933.db2.gz OUWZVRWTJQWTAJ-BLLLJJGKSA-N 2 2 319.246 3.475 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000643527553 435343096 /nfs/dbraw/zinc/34/30/96/435343096.db2.gz OLDBNGBWFXYBBJ-OQPBUACISA-N 2 2 317.658 3.490 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000643525007 435345012 /nfs/dbraw/zinc/34/50/12/435345012.db2.gz IVSGQHQXZFOCDN-FOIQADDNSA-N 3 2 311.473 3.160 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643538169 435346246 /nfs/dbraw/zinc/34/62/46/435346246.db2.gz AGYSNWRCQNJCKH-UHFZAUJKSA-N 2 2 302.846 3.183 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000643537196 435347163 /nfs/dbraw/zinc/34/71/63/435347163.db2.gz AQILWXYNIQNABN-KKUMJFAQSA-N 2 2 316.342 3.446 20 0 DGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537960 435347243 /nfs/dbraw/zinc/34/72/43/435347243.db2.gz VLMTWXYIGGXWPE-GRDNDAEWSA-N 2 2 306.425 3.313 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548798 435351784 /nfs/dbraw/zinc/35/17/84/435351784.db2.gz VJIOKAMTXDIDPW-DGCLKSJQSA-N 2 2 310.363 3.356 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(C)[nH+]1 ZINC000639596662 435360985 /nfs/dbraw/zinc/36/09/85/435360985.db2.gz XABRBKURVXMHEM-HXUWFJFHSA-N 2 2 321.424 3.103 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c(C)[nH+]1 ZINC000639596662 435360990 /nfs/dbraw/zinc/36/09/90/435360990.db2.gz XABRBKURVXMHEM-HXUWFJFHSA-N 2 2 321.424 3.103 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC000512576346 435363507 /nfs/dbraw/zinc/36/35/07/435363507.db2.gz BRGUYNIDYUWNEU-WBMJQRKESA-N 2 2 312.404 3.052 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC000512576346 435363515 /nfs/dbraw/zinc/36/35/15/435363515.db2.gz BRGUYNIDYUWNEU-WBMJQRKESA-N 2 2 312.404 3.052 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2[nH+]1 ZINC000648753530 435409118 /nfs/dbraw/zinc/40/91/18/435409118.db2.gz YINXRJXPHJZBOT-TZMCWYRMSA-N 2 2 314.433 3.184 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2[nH+]1 ZINC000648753530 435409123 /nfs/dbraw/zinc/40/91/23/435409123.db2.gz YINXRJXPHJZBOT-TZMCWYRMSA-N 2 2 314.433 3.184 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)c1 ZINC000514117971 435412733 /nfs/dbraw/zinc/41/27/33/435412733.db2.gz CXXWYJICFPMPRR-OAHLLOKOSA-N 2 2 309.404 3.338 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841047 435414078 /nfs/dbraw/zinc/41/40/78/435414078.db2.gz SQNKAVVYJLSPGR-DBVUQKKJSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841047 435414083 /nfs/dbraw/zinc/41/40/83/435414083.db2.gz SQNKAVVYJLSPGR-DBVUQKKJSA-N 2 2 316.489 3.180 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2[NH2+]CC2(C)C)ccc1Oc1cc[nH+]cc1 ZINC000644157285 435420932 /nfs/dbraw/zinc/42/09/32/435420932.db2.gz GZTUYHKIGKDEEO-INIZCTEOSA-N 2 2 311.385 3.119 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000639796496 435422238 /nfs/dbraw/zinc/42/22/38/435422238.db2.gz TYQIJLUUNLUNBX-CXAGYDPISA-N 2 2 318.465 3.283 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000639619138 435366557 /nfs/dbraw/zinc/36/65/57/435366557.db2.gz JYFIKQWSNBGTJB-GDBMZVCRSA-N 2 2 313.445 3.407 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480220626 435368670 /nfs/dbraw/zinc/36/86/70/435368670.db2.gz DGCAUUOZLCUQQO-BBWFWOEESA-N 2 2 304.478 3.399 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480220626 435368673 /nfs/dbraw/zinc/36/86/73/435368673.db2.gz DGCAUUOZLCUQQO-BBWFWOEESA-N 2 2 304.478 3.399 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1Cl ZINC000480259592 435371605 /nfs/dbraw/zinc/37/16/05/435371605.db2.gz OEKZZBSKJCLPME-KFWWJZLASA-N 2 2 310.869 3.490 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000480259598 435372266 /nfs/dbraw/zinc/37/22/66/435372266.db2.gz OEKZZBSKJCLPME-ZNMIVQPWSA-N 2 2 310.869 3.490 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccns3)C2)s1 ZINC000639633231 435374144 /nfs/dbraw/zinc/37/41/44/435374144.db2.gz UELJHTIEZOHVBS-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccns3)C2)s1 ZINC000639633231 435374149 /nfs/dbraw/zinc/37/41/49/435374149.db2.gz UELJHTIEZOHVBS-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccns3)C2)s1 ZINC000639633231 435374154 /nfs/dbraw/zinc/37/41/54/435374154.db2.gz UELJHTIEZOHVBS-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccns3)C2)s1 ZINC000639633231 435374157 /nfs/dbraw/zinc/37/41/57/435374157.db2.gz UELJHTIEZOHVBS-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000513095976 435377409 /nfs/dbraw/zinc/37/74/09/435377409.db2.gz ROXKDAFVYQMFHF-SXLOBPIMSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000513095976 435377411 /nfs/dbraw/zinc/37/74/11/435377411.db2.gz ROXKDAFVYQMFHF-SXLOBPIMSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(CO)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674258 435378926 /nfs/dbraw/zinc/37/89/26/435378926.db2.gz WTJRNYIQVKAAMC-KRWDZBQOSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(CO)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674258 435378929 /nfs/dbraw/zinc/37/89/29/435378929.db2.gz WTJRNYIQVKAAMC-KRWDZBQOSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(CO)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674259 435380117 /nfs/dbraw/zinc/38/01/17/435380117.db2.gz WTJRNYIQVKAAMC-QGZVFWFLSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(CO)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674259 435380122 /nfs/dbraw/zinc/38/01/22/435380122.db2.gz WTJRNYIQVKAAMC-QGZVFWFLSA-N 2 2 304.478 3.038 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000568031400 435380467 /nfs/dbraw/zinc/38/04/67/435380467.db2.gz XCQTTZMRKYNCCC-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000568031400 435380472 /nfs/dbraw/zinc/38/04/72/435380472.db2.gz XCQTTZMRKYNCCC-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400636 435387109 /nfs/dbraw/zinc/38/71/09/435387109.db2.gz ZUFMPTSYFGFSHA-QUCCMNQESA-N 2 2 316.489 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400636 435387114 /nfs/dbraw/zinc/38/71/14/435387114.db2.gz ZUFMPTSYFGFSHA-QUCCMNQESA-N 2 2 316.489 3.480 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000536573619 435390765 /nfs/dbraw/zinc/39/07/65/435390765.db2.gz GERZLCRGWHSVBE-SFHVURJKSA-N 2 2 323.444 3.305 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000536573619 435390767 /nfs/dbraw/zinc/39/07/67/435390767.db2.gz GERZLCRGWHSVBE-SFHVURJKSA-N 2 2 323.444 3.305 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000513678068 435397125 /nfs/dbraw/zinc/39/71/25/435397125.db2.gz HSNZDTWLTTWUCT-VEVIJQCQSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000513678068 435397129 /nfs/dbraw/zinc/39/71/29/435397129.db2.gz HSNZDTWLTTWUCT-VEVIJQCQSA-N 2 2 308.416 3.358 20 0 DGADLP CC(C)(C)[N@@H+]1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000536654293 435399272 /nfs/dbraw/zinc/39/92/72/435399272.db2.gz SWKXVHHWWGHOBH-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CC(C)(C)[N@H+]1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000536654293 435399277 /nfs/dbraw/zinc/39/92/77/435399277.db2.gz SWKXVHHWWGHOBH-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CC(C)C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000482164403 435453587 /nfs/dbraw/zinc/45/35/87/435453587.db2.gz OQEAONRIOYSHEB-SFHVURJKSA-N 2 2 304.478 3.120 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482171472 435455997 /nfs/dbraw/zinc/45/59/97/435455997.db2.gz SONWHZQLBWNZFD-MRXNPFEDSA-N 2 2 302.462 3.018 20 0 DGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000648926439 435457841 /nfs/dbraw/zinc/45/78/41/435457841.db2.gz VZTFXRHHXYCXHF-MRXNPFEDSA-N 2 2 312.417 3.070 20 0 DGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000648926439 435457843 /nfs/dbraw/zinc/45/78/43/435457843.db2.gz VZTFXRHHXYCXHF-MRXNPFEDSA-N 2 2 312.417 3.070 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccncc3)C2)s1 ZINC000568696275 435461064 /nfs/dbraw/zinc/46/10/64/435461064.db2.gz WOIBUECYOOBISI-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccncc3)C2)s1 ZINC000568696275 435461069 /nfs/dbraw/zinc/46/10/69/435461069.db2.gz WOIBUECYOOBISI-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccncc3)C2)s1 ZINC000568696275 435461074 /nfs/dbraw/zinc/46/10/74/435461074.db2.gz WOIBUECYOOBISI-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccncc3)C2)s1 ZINC000568696275 435461079 /nfs/dbraw/zinc/46/10/79/435461079.db2.gz WOIBUECYOOBISI-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000515094074 435463858 /nfs/dbraw/zinc/46/38/58/435463858.db2.gz ZTJSCABUPURQNT-FZCLSBEQSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000515094074 435463865 /nfs/dbraw/zinc/46/38/65/435463865.db2.gz ZTJSCABUPURQNT-FZCLSBEQSA-N 2 2 304.503 3.238 20 0 DGADLP CCO[C@@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C12CCC2 ZINC000515344826 435477348 /nfs/dbraw/zinc/47/73/48/435477348.db2.gz RRMHUBJSXPLDKV-JKSUJKDBSA-N 2 2 312.417 3.086 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)C1CCCCC1 ZINC000537982830 435478712 /nfs/dbraw/zinc/47/87/12/435478712.db2.gz NGXVXUCJBLFUHT-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)C1CCCCC1 ZINC000537982830 435478716 /nfs/dbraw/zinc/47/87/16/435478716.db2.gz NGXVXUCJBLFUHT-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP CCCc1nc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000639983904 435479296 /nfs/dbraw/zinc/47/92/96/435479296.db2.gz NVSZOXXQMOZEDF-UHFFFAOYSA-N 2 2 305.466 3.386 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000537293934 435435933 /nfs/dbraw/zinc/43/59/33/435435933.db2.gz MZGZNZTZKWLXDI-XMTFNYHQSA-N 2 2 308.510 3.434 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000537293934 435435938 /nfs/dbraw/zinc/43/59/38/435435938.db2.gz MZGZNZTZKWLXDI-XMTFNYHQSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000568876604 435480273 /nfs/dbraw/zinc/48/02/73/435480273.db2.gz ADLIAOADBDNXFR-UHFFFAOYSA-N 2 2 308.429 3.344 20 0 DGADLP CC(C)[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000538559408 435506399 /nfs/dbraw/zinc/50/63/99/435506399.db2.gz WRCWOIGTXSORHB-WMZOPIPTSA-N 2 2 302.466 3.068 20 0 DGADLP CC1(F)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000640070726 435510155 /nfs/dbraw/zinc/51/01/55/435510155.db2.gz AJORJDKSHGKXCL-UHFFFAOYSA-N 2 2 319.468 3.023 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000640128202 435520991 /nfs/dbraw/zinc/52/09/91/435520991.db2.gz KXUWEXQTBGIENJ-UHFFFAOYSA-N 2 2 316.449 3.181 20 0 DGADLP CC(C)C[C@H](C[NH2+]CC1(O)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000644678102 435487087 /nfs/dbraw/zinc/48/70/87/435487087.db2.gz ZYVGKKJOTDHLHL-SJLPKXTDSA-N 2 2 304.478 3.257 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000515500154 435489654 /nfs/dbraw/zinc/48/96/54/435489654.db2.gz QFNWDCDEHCMEHR-JKSUJKDBSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000515500154 435489659 /nfs/dbraw/zinc/48/96/59/435489659.db2.gz QFNWDCDEHCMEHR-JKSUJKDBSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(C(C)C)CC3)c2cc1C ZINC000568976083 435490732 /nfs/dbraw/zinc/49/07/32/435490732.db2.gz ROYKRFRBVWNQTD-MRXNPFEDSA-N 2 2 315.461 3.040 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCSC1 ZINC000484476715 435546744 /nfs/dbraw/zinc/54/67/44/435546744.db2.gz WHVNKOAVQMFSNW-ZWKOTPCHSA-N 2 2 304.503 3.035 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)o1 ZINC000644972913 435550293 /nfs/dbraw/zinc/55/02/93/435550293.db2.gz YJPBMIZJGORTCF-UHFFFAOYSA-N 2 2 301.390 3.386 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@H]1C[N@H+](C)CCO1 ZINC000649304588 435561601 /nfs/dbraw/zinc/56/16/01/435561601.db2.gz LBVAKERVLZDXAK-MGPLVRAMSA-N 2 2 323.799 3.158 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@H]1C[N@@H+](C)CCO1 ZINC000649304588 435561607 /nfs/dbraw/zinc/56/16/07/435561607.db2.gz LBVAKERVLZDXAK-MGPLVRAMSA-N 2 2 323.799 3.158 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](CC(C)C)CC3)c2c1C ZINC000645111279 435570247 /nfs/dbraw/zinc/57/02/47/435570247.db2.gz WJKQOPCGAUWFIK-UHFFFAOYSA-N 2 2 301.438 3.107 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000649407775 435580550 /nfs/dbraw/zinc/58/05/50/435580550.db2.gz UFWYPIWTAJJXRC-IPMKNSEASA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000649407775 435580554 /nfs/dbraw/zinc/58/05/54/435580554.db2.gz UFWYPIWTAJJXRC-IPMKNSEASA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000649407775 435580558 /nfs/dbraw/zinc/58/05/58/435580558.db2.gz UFWYPIWTAJJXRC-IPMKNSEASA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000649407775 435580560 /nfs/dbraw/zinc/58/05/60/435580560.db2.gz UFWYPIWTAJJXRC-IPMKNSEASA-N 2 2 308.510 3.388 20 0 DGADLP C[NH+](C)CCOc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000649438583 435591166 /nfs/dbraw/zinc/59/11/66/435591166.db2.gz IBMRRFLIOMHZGZ-UHFFFAOYSA-N 2 2 311.429 3.289 20 0 DGADLP Fc1cc(C[NH2+]Cc2ccc3c(n2)CCC3)ccc1-n1cc[nH+]c1 ZINC000570377086 435615358 /nfs/dbraw/zinc/61/53/58/435615358.db2.gz BXWFFKGDJLSMOT-UHFFFAOYSA-N 2 2 322.387 3.185 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000570410436 435619601 /nfs/dbraw/zinc/61/96/01/435619601.db2.gz ODXCSDUITSPGER-SFHVURJKSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000570410436 435619606 /nfs/dbraw/zinc/61/96/06/435619606.db2.gz ODXCSDUITSPGER-SFHVURJKSA-N 2 2 322.880 3.335 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C(C)C)cc1 ZINC000540317757 435596297 /nfs/dbraw/zinc/59/62/97/435596297.db2.gz FILZKINEWWSKGO-MSOLQXFVSA-N 2 2 322.518 3.419 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000519063285 435667451 /nfs/dbraw/zinc/66/74/51/435667451.db2.gz VHFVVZMRUBTWEM-QGZVFWFLSA-N 2 2 313.445 3.160 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000519063285 435667453 /nfs/dbraw/zinc/66/74/53/435667453.db2.gz VHFVVZMRUBTWEM-QGZVFWFLSA-N 2 2 313.445 3.160 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000488417431 435639041 /nfs/dbraw/zinc/63/90/41/435639041.db2.gz DPGQSJCQBBRYMM-KSZLIROESA-N 2 2 306.519 3.279 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000655701392 435737185 /nfs/dbraw/zinc/73/71/85/435737185.db2.gz VQIDBIAEVLVKHR-FOIQADDNSA-N 2 2 314.473 3.079 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655707917 435740458 /nfs/dbraw/zinc/74/04/58/435740458.db2.gz APWFJZNYZGBJFL-PMACEKPBSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000520406622 435743412 /nfs/dbraw/zinc/74/34/12/435743412.db2.gz NOGUQBROFFOXEI-CBZIJGRNSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000520406622 435743420 /nfs/dbraw/zinc/74/34/20/435743420.db2.gz NOGUQBROFFOXEI-CBZIJGRNSA-N 2 2 305.441 3.162 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000655716047 435744244 /nfs/dbraw/zinc/74/42/44/435744244.db2.gz PPFNRVKNUVZBGO-FUHWJXTLSA-N 2 2 302.462 3.207 20 0 DGADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655711343 435744531 /nfs/dbraw/zinc/74/45/31/435744531.db2.gz ICZGPFQKSHYEFI-HSALFYBXSA-N 2 2 314.473 3.166 20 0 DGADLP CO[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000660435514 435744773 /nfs/dbraw/zinc/74/47/73/435744773.db2.gz MIBTYTJVHZCIKE-MSOLQXFVSA-N 2 2 304.434 3.130 20 0 DGADLP CO[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000660435514 435744782 /nfs/dbraw/zinc/74/47/82/435744782.db2.gz MIBTYTJVHZCIKE-MSOLQXFVSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCn2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000655719046 435746883 /nfs/dbraw/zinc/74/68/83/435746883.db2.gz OJTIHPBMKKRAQH-SJLPKXTDSA-N 2 2 312.461 3.218 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCn2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000655719046 435746892 /nfs/dbraw/zinc/74/68/92/435746892.db2.gz OJTIHPBMKKRAQH-SJLPKXTDSA-N 2 2 312.461 3.218 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000655719364 435747090 /nfs/dbraw/zinc/74/70/90/435747090.db2.gz RSVRJISYOZOTCK-KRWDZBQOSA-N 2 2 302.466 3.105 20 0 DGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655717870 435748759 /nfs/dbraw/zinc/74/87/59/435748759.db2.gz FHHBZPCTGPIWBO-BXWFABGCSA-N 2 2 302.462 3.022 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655727478 435754140 /nfs/dbraw/zinc/75/41/40/435754140.db2.gz OAKLNXAIQHKSTD-SIXWZSSISA-N 2 2 300.446 3.078 20 0 DGADLP Cc1ccccc1C1CC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655731163 435754405 /nfs/dbraw/zinc/75/44/05/435754405.db2.gz PUFQZRMODZEWKD-KVZIAJEVSA-N 2 2 314.473 3.084 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1F ZINC000655729485 435754797 /nfs/dbraw/zinc/75/47/97/435754797.db2.gz AYAYDGYZCXLODA-RHSMWYFYSA-N 2 2 306.425 3.038 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664678145 435761098 /nfs/dbraw/zinc/76/10/98/435761098.db2.gz MUUOXBFXKKUKFD-OAHLLOKOSA-N 2 2 310.445 3.351 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678145 435761103 /nfs/dbraw/zinc/76/11/03/435761103.db2.gz MUUOXBFXKKUKFD-OAHLLOKOSA-N 2 2 310.445 3.351 20 0 DGADLP C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000649810650 435710870 /nfs/dbraw/zinc/71/08/70/435710870.db2.gz UBHXYYUEOPIBHI-ZDUSSCGKSA-N 2 2 324.428 3.326 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000571514273 435712354 /nfs/dbraw/zinc/71/23/54/435712354.db2.gz JBCJFAUFXXTDGJ-QRFRQXIXSA-N 2 2 309.457 3.457 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000548792895 435719139 /nfs/dbraw/zinc/71/91/39/435719139.db2.gz JYZZRWWKDWCLPC-BHIYHBOVSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548792895 435719142 /nfs/dbraw/zinc/71/91/42/435719142.db2.gz JYZZRWWKDWCLPC-BHIYHBOVSA-N 2 2 314.473 3.198 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000571582500 435719411 /nfs/dbraw/zinc/71/94/11/435719411.db2.gz SIZSFHALXGCSLY-UHFFFAOYSA-N 2 2 323.234 3.379 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860514 435723114 /nfs/dbraw/zinc/72/31/14/435723114.db2.gz WTPXTIMFGPYODO-MOPGFXCFSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860514 435723118 /nfs/dbraw/zinc/72/31/18/435723118.db2.gz WTPXTIMFGPYODO-MOPGFXCFSA-N 2 2 314.473 3.200 20 0 DGADLP Fc1ccccc1C1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655780426 435793685 /nfs/dbraw/zinc/79/36/85/435793685.db2.gz YSNXBBSVMFOIPT-MRXNPFEDSA-N 2 2 318.436 3.048 20 0 DGADLP Clc1ccccc1C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655780436 435793898 /nfs/dbraw/zinc/79/38/98/435793898.db2.gz YWQRSAGBHZNKTI-HNNXBMFYSA-N 2 2 320.864 3.172 20 0 DGADLP C[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693653 435793934 /nfs/dbraw/zinc/79/39/34/435793934.db2.gz YMVRDCKOKKNHEG-VQIMIIECSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@@H]1CC[N@H+](CCCN(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000572239239 435797123 /nfs/dbraw/zinc/79/71/23/435797123.db2.gz PWMXIIBMWZZDMK-IEBWSBKVSA-N 2 2 312.461 3.293 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000572239239 435797131 /nfs/dbraw/zinc/79/71/31/435797131.db2.gz PWMXIIBMWZZDMK-IEBWSBKVSA-N 2 2 312.461 3.293 20 0 DGADLP COCC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000655816861 435821522 /nfs/dbraw/zinc/82/15/22/435821522.db2.gz FMHFVIFHSFPAMK-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](CC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)n1cc[nH+]c1 ZINC000650064465 435804609 /nfs/dbraw/zinc/80/46/09/435804609.db2.gz ATZFSUHVBVPLHN-CYBMUJFWSA-N 2 2 323.400 3.087 20 0 DGADLP C[C@H](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)n1cc[nH+]c1 ZINC000650074206 435807410 /nfs/dbraw/zinc/80/74/10/435807410.db2.gz KWKFSLWFJKBQCP-CXAGYDPISA-N 2 2 312.417 3.022 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)n1cc[nH+]c1 ZINC000650074208 435808967 /nfs/dbraw/zinc/80/89/67/435808967.db2.gz KWKFSLWFJKBQCP-GUYCJALGSA-N 2 2 312.417 3.022 20 0 DGADLP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000550797010 435810042 /nfs/dbraw/zinc/81/00/42/435810042.db2.gz JGAMCJNWWHPPQF-CVAIRZPRSA-N 2 2 310.441 3.271 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC000551012964 435817594 /nfs/dbraw/zinc/81/75/94/435817594.db2.gz DFOUFQXQSLUPPO-RTBURBONSA-N 2 2 310.441 3.191 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCCO3)cc2)c[nH+]1 ZINC000655811596 435818676 /nfs/dbraw/zinc/81/86/76/435818676.db2.gz VGWAYZAJEUKKNF-MOPGFXCFSA-N 2 2 311.429 3.310 20 0 DGADLP Cc1cccc(CCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478271 435767671 /nfs/dbraw/zinc/76/76/71/435767671.db2.gz LCPYSIZXAQWLHS-FQEVSTJZSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1cccc(CCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478271 435767678 /nfs/dbraw/zinc/76/76/78/435767678.db2.gz LCPYSIZXAQWLHS-FQEVSTJZSA-N 2 2 316.489 3.114 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481596 435770436 /nfs/dbraw/zinc/77/04/36/435770436.db2.gz RXRSLUVARGBWOU-FUHWJXTLSA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481596 435770447 /nfs/dbraw/zinc/77/04/47/435770447.db2.gz RXRSLUVARGBWOU-FUHWJXTLSA-N 2 2 317.477 3.214 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000646089070 435775556 /nfs/dbraw/zinc/77/55/56/435775556.db2.gz GPTRAVDRJBSPBS-JSQNDZKTSA-N 2 2 324.428 3.182 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCC1 ZINC000655754849 435778743 /nfs/dbraw/zinc/77/87/43/435778743.db2.gz KJVQWMQDSSFZTI-UHFFFAOYSA-N 2 2 304.768 3.127 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000651673332 435787139 /nfs/dbraw/zinc/78/71/39/435787139.db2.gz FDXRPEXKAGDKJR-GOSISDBHSA-N 2 2 315.461 3.472 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000655836231 435831042 /nfs/dbraw/zinc/83/10/42/435831042.db2.gz GDMAQONUXLWUAF-QKLQHJQFSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000655836231 435831045 /nfs/dbraw/zinc/83/10/45/435831045.db2.gz GDMAQONUXLWUAF-QKLQHJQFSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385971 435833958 /nfs/dbraw/zinc/83/39/58/435833958.db2.gz VFPPLXPJFJJSFH-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385971 435833965 /nfs/dbraw/zinc/83/39/65/435833965.db2.gz VFPPLXPJFJJSFH-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385971 435833972 /nfs/dbraw/zinc/83/39/72/435833972.db2.gz VFPPLXPJFJJSFH-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385971 435833977 /nfs/dbraw/zinc/83/39/77/435833977.db2.gz VFPPLXPJFJJSFH-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848804 435839373 /nfs/dbraw/zinc/83/93/73/435839373.db2.gz LFMNPGSICBISHT-DFEOGRTESA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848804 435839377 /nfs/dbraw/zinc/83/93/77/435839377.db2.gz LFMNPGSICBISHT-DFEOGRTESA-N 2 2 316.493 3.053 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572542764 435839734 /nfs/dbraw/zinc/83/97/34/435839734.db2.gz MDWLRCHQPCUYAL-OTWHNJEPSA-N 2 2 306.494 3.166 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572542764 435839740 /nfs/dbraw/zinc/83/97/40/435839740.db2.gz MDWLRCHQPCUYAL-OTWHNJEPSA-N 2 2 306.494 3.166 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCO2 ZINC000655848359 435840286 /nfs/dbraw/zinc/84/02/86/435840286.db2.gz ICBATVPXJICFFE-BPUTZDHNSA-N 2 2 302.418 3.083 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCO2 ZINC000655848359 435840292 /nfs/dbraw/zinc/84/02/92/435840292.db2.gz ICBATVPXJICFFE-BPUTZDHNSA-N 2 2 302.418 3.083 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Br)cc1)C2 ZINC000660655256 435841271 /nfs/dbraw/zinc/84/12/71/435841271.db2.gz LIWIESQBEFSLHC-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Br)cc1)C2 ZINC000660655256 435841278 /nfs/dbraw/zinc/84/12/78/435841278.db2.gz LIWIESQBEFSLHC-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1)C2 ZINC000660655256 435841285 /nfs/dbraw/zinc/84/12/85/435841285.db2.gz LIWIESQBEFSLHC-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1)C2 ZINC000660655256 435841292 /nfs/dbraw/zinc/84/12/92/435841292.db2.gz LIWIESQBEFSLHC-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(OC)c1 ZINC000655850368 435843124 /nfs/dbraw/zinc/84/31/24/435843124.db2.gz VGYHUOMQKMBCFY-JCGIZDLHSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(OC)c1 ZINC000655850368 435843130 /nfs/dbraw/zinc/84/31/30/435843130.db2.gz VGYHUOMQKMBCFY-JCGIZDLHSA-N 2 2 318.461 3.371 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657087 435843186 /nfs/dbraw/zinc/84/31/86/435843186.db2.gz VGHNSVZNOMXROK-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657087 435843191 /nfs/dbraw/zinc/84/31/91/435843191.db2.gz VGHNSVZNOMXROK-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657087 435843197 /nfs/dbraw/zinc/84/31/97/435843197.db2.gz VGHNSVZNOMXROK-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657087 435843202 /nfs/dbraw/zinc/84/32/02/435843202.db2.gz VGHNSVZNOMXROK-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856587 435845004 /nfs/dbraw/zinc/84/50/04/435845004.db2.gz PAAFPMUMAHXPCP-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856587 435845009 /nfs/dbraw/zinc/84/50/09/435845009.db2.gz PAAFPMUMAHXPCP-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655856541 435845181 /nfs/dbraw/zinc/84/51/81/435845181.db2.gz NOQUCJCEUZCSOX-SJORKVTESA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655856541 435845186 /nfs/dbraw/zinc/84/51/86/435845186.db2.gz NOQUCJCEUZCSOX-SJORKVTESA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000655855945 435845407 /nfs/dbraw/zinc/84/54/07/435845407.db2.gz JGPLLSYHRXHBLE-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000655855945 435845411 /nfs/dbraw/zinc/84/54/11/435845411.db2.gz JGPLLSYHRXHBLE-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856588 435846041 /nfs/dbraw/zinc/84/60/41/435846041.db2.gz PAAFPMUMAHXPCP-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856588 435846048 /nfs/dbraw/zinc/84/60/48/435846048.db2.gz PAAFPMUMAHXPCP-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP CCC[C@@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696714 435846135 /nfs/dbraw/zinc/84/61/35/435846135.db2.gz IDHKZEGZHUTONN-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696714 435846145 /nfs/dbraw/zinc/84/61/45/435846145.db2.gz IDHKZEGZHUTONN-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551696714 435846154 /nfs/dbraw/zinc/84/61/54/435846154.db2.gz IDHKZEGZHUTONN-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551696714 435846158 /nfs/dbraw/zinc/84/61/58/435846158.db2.gz IDHKZEGZHUTONN-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000572629554 435848638 /nfs/dbraw/zinc/84/86/38/435848638.db2.gz ZCUZUEBNLOIUKP-INIZCTEOSA-N 2 2 324.896 3.159 20 0 DGADLP CC[C@@]1(C)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699991 435849990 /nfs/dbraw/zinc/84/99/90/435849990.db2.gz RGSYXJQIZJTKKT-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@]1(C)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699991 435849998 /nfs/dbraw/zinc/84/99/98/435849998.db2.gz RGSYXJQIZJTKKT-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@]1(C)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699991 435850004 /nfs/dbraw/zinc/85/00/04/435850004.db2.gz RGSYXJQIZJTKKT-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@]1(C)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699991 435850011 /nfs/dbraw/zinc/85/00/11/435850011.db2.gz RGSYXJQIZJTKKT-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1F ZINC000651892332 435855519 /nfs/dbraw/zinc/85/55/19/435855519.db2.gz QFQMZHDHSBAXFH-DYVFJYSZSA-N 2 2 308.441 3.100 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000651909104 435861236 /nfs/dbraw/zinc/86/12/36/435861236.db2.gz XCNNBUOWVGEZEI-IEZWGBDMSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000651909104 435861241 /nfs/dbraw/zinc/86/12/41/435861241.db2.gz XCNNBUOWVGEZEI-IEZWGBDMSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000651908711 435861410 /nfs/dbraw/zinc/86/14/10/435861410.db2.gz LZDSVWMOKQMLFH-IPELMVKDSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000651908711 435861414 /nfs/dbraw/zinc/86/14/14/435861414.db2.gz LZDSVWMOKQMLFH-IPELMVKDSA-N 2 2 302.462 3.227 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1c(Cl)cnn1C)C1CCCCC1 ZINC000651910479 435863658 /nfs/dbraw/zinc/86/36/58/435863658.db2.gz VNLIWTNJVHKMMT-UHFFFAOYSA-N 2 2 312.889 3.208 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1c(Cl)cnn1C)C1CCCCC1 ZINC000651910479 435863661 /nfs/dbraw/zinc/86/36/61/435863661.db2.gz VNLIWTNJVHKMMT-UHFFFAOYSA-N 2 2 312.889 3.208 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H](C3CC3)C3CCOCC3)c2)c[nH+]1 ZINC000651928367 435869136 /nfs/dbraw/zinc/86/91/36/435869136.db2.gz FLGFTWPDQOEWHA-KRWDZBQOSA-N 2 2 317.458 3.229 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651983263 435882986 /nfs/dbraw/zinc/88/29/86/435882986.db2.gz VESARQBDUSMVCL-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651983263 435882991 /nfs/dbraw/zinc/88/29/91/435882991.db2.gz VESARQBDUSMVCL-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281256 435936082 /nfs/dbraw/zinc/93/60/82/435936082.db2.gz VREQHEITAVNFJA-QUCCMNQESA-N 2 2 316.489 3.052 20 0 DGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281256 435936086 /nfs/dbraw/zinc/93/60/86/435936086.db2.gz VREQHEITAVNFJA-QUCCMNQESA-N 2 2 316.489 3.052 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2cccc(Br)c21 ZINC000665276816 435936534 /nfs/dbraw/zinc/93/65/34/435936534.db2.gz NJIIRHZSQBPGND-ASHUDPAUSA-N 2 2 321.262 3.339 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000665240917 435926560 /nfs/dbraw/zinc/92/65/60/435926560.db2.gz VXEMTDVVSCXSEN-FHWLQOOXSA-N 2 2 312.413 3.117 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932159 435927406 /nfs/dbraw/zinc/92/74/06/435927406.db2.gz UWONEEPGYBINCH-YEWWUXTCSA-N 2 2 324.428 3.278 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932159 435927409 /nfs/dbraw/zinc/92/74/09/435927409.db2.gz UWONEEPGYBINCH-YEWWUXTCSA-N 2 2 324.428 3.278 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000665250953 435929316 /nfs/dbraw/zinc/92/93/16/435929316.db2.gz CYIZSLCDVMNLJV-APHBMKBZSA-N 2 2 301.459 3.248 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCSC2)cc1 ZINC000665255431 435929990 /nfs/dbraw/zinc/92/99/90/435929990.db2.gz SDSUSRLPIJBIGT-SZMVWBNQSA-N 2 2 320.502 3.016 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000665253695 435930141 /nfs/dbraw/zinc/93/01/41/435930141.db2.gz ZPMAOGVHAUFGSH-CDHAZOANSA-N 2 2 317.383 3.156 20 0 DGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254377 435930374 /nfs/dbraw/zinc/93/03/74/435930374.db2.gz OXXLTTPKZRKFEX-FSPWUOQZSA-N 2 2 302.393 3.085 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cncc(F)c1 ZINC000665254062 435930740 /nfs/dbraw/zinc/93/07/40/435930740.db2.gz HDNQXLWKCBRCBL-JBBXEZCESA-N 2 2 317.383 3.156 20 0 DGADLP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259339 435931709 /nfs/dbraw/zinc/93/17/09/435931709.db2.gz CIHLSKGEFKRFIO-JSQNDZKTSA-N 2 2 306.425 3.058 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000647175896 435961872 /nfs/dbraw/zinc/96/18/72/435961872.db2.gz LLPWJZXJXLTBFJ-UHFFFAOYSA-N 2 2 311.433 3.138 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ncn1 ZINC000647196789 435969210 /nfs/dbraw/zinc/96/92/10/435969210.db2.gz MPKULZILPJIIGG-GOSISDBHSA-N 2 2 322.456 3.072 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ncn1 ZINC000647196789 435969217 /nfs/dbraw/zinc/96/92/17/435969217.db2.gz MPKULZILPJIIGG-GOSISDBHSA-N 2 2 322.456 3.072 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCN(c4ccccc4)C3)cn21 ZINC000647262553 435994967 /nfs/dbraw/zinc/99/49/67/435994967.db2.gz CQESFTIOURRQFY-QGZVFWFLSA-N 2 2 320.440 3.054 20 0 DGADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2ncc(Cl)s2)[C@H](c2ccccc2)C1 ZINC000647249092 435990749 /nfs/dbraw/zinc/99/07/49/435990749.db2.gz AFRHMDQWVKWNED-KGLIPLIRSA-N 2 2 321.877 3.232 20 0 DGADLP C[N@H+]1C[C@@H](C[NH2+]Cc2ncc(Cl)s2)[C@H](c2ccccc2)C1 ZINC000647249092 435990753 /nfs/dbraw/zinc/99/07/53/435990753.db2.gz AFRHMDQWVKWNED-KGLIPLIRSA-N 2 2 321.877 3.232 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CO1 ZINC000647252925 435993336 /nfs/dbraw/zinc/99/33/36/435993336.db2.gz BXENFGKEXOXEMJ-BBRMVZONSA-N 2 2 308.853 3.071 20 0 DGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281254 435937184 /nfs/dbraw/zinc/93/71/84/435937184.db2.gz VREQHEITAVNFJA-AZUAARDMSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281254 435937191 /nfs/dbraw/zinc/93/71/91/435937191.db2.gz VREQHEITAVNFJA-AZUAARDMSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281257 435937352 /nfs/dbraw/zinc/93/73/52/435937352.db2.gz VREQHEITAVNFJA-UYAOXDASSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281257 435937356 /nfs/dbraw/zinc/93/73/56/435937356.db2.gz VREQHEITAVNFJA-UYAOXDASSA-N 2 2 316.489 3.052 20 0 DGADLP COc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665278764 435938394 /nfs/dbraw/zinc/93/83/94/435938394.db2.gz ODRVDGNIGYPUCZ-KHPNHKCMSA-N 2 2 308.425 3.126 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000665281983 435938451 /nfs/dbraw/zinc/93/84/51/435938451.db2.gz NXOLZAFHHAVVHJ-SJLPKXTDSA-N 2 2 301.409 3.273 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)c2ccccc21 ZINC000665283398 435941604 /nfs/dbraw/zinc/94/16/04/435941604.db2.gz NCPATXGIWWMZRP-KBPBESRZSA-N 2 2 318.323 3.243 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000665296335 435942424 /nfs/dbraw/zinc/94/24/24/435942424.db2.gz QYXWSAAZPCTLQE-KUHUBIRLSA-N 2 2 316.420 3.316 20 0 DGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000647289384 436002383 /nfs/dbraw/zinc/00/23/83/436002383.db2.gz RPHKXJIJXLBDRG-WMLDXEAASA-N 2 2 306.498 3.236 20 0 DGADLP CC[C@@H](C)CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656704373 436016584 /nfs/dbraw/zinc/01/65/84/436016584.db2.gz IPEIHFDHVMMDNL-CZUORRHYSA-N 2 2 303.450 3.040 20 0 DGADLP COC1([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)CCCC1 ZINC000647363438 436031094 /nfs/dbraw/zinc/03/10/94/436031094.db2.gz AGFPBNLEDCFJNW-OAHLLOKOSA-N 2 2 301.434 3.123 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cccc(CO)c3)cn21 ZINC000647363720 436032277 /nfs/dbraw/zinc/03/22/77/436032277.db2.gz IMMNXQIBEYGMEM-HNNXBMFYSA-N 2 2 309.413 3.028 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccs2)cc1F ZINC000656790619 436046839 /nfs/dbraw/zinc/04/68/39/436046839.db2.gz FAFNVFIIRCOEJM-HOCLYGCPSA-N 2 2 320.433 3.131 20 0 DGADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788995 436048076 /nfs/dbraw/zinc/04/80/76/436048076.db2.gz LXUXQQKJWQSAQZ-BMGDILEWSA-N 2 2 300.471 3.414 20 0 DGADLP Cc1ccc(CCCNc2ccc([C@H]3C[NH2+]CCO3)cc2)c[nH+]1 ZINC000656793876 436049747 /nfs/dbraw/zinc/04/97/47/436049747.db2.gz WDQPCMMYQIJDFG-LJQANCHMSA-N 2 2 311.429 3.096 20 0 DGADLP CCOc1ccccc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262345 435995793 /nfs/dbraw/zinc/99/57/93/435995793.db2.gz WNKBYMQSIZQTBC-UHFFFAOYSA-N 2 2 309.413 3.374 20 0 DGADLP CC(C)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C(C)C)c1 ZINC000653069433 436105340 /nfs/dbraw/zinc/10/53/40/436105340.db2.gz NKFZMABWCFWBCL-INIZCTEOSA-N 2 2 305.466 3.151 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480657 436061184 /nfs/dbraw/zinc/06/11/84/436061184.db2.gz WXRKXIHBMJACGY-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480657 436061191 /nfs/dbraw/zinc/06/11/91/436061191.db2.gz WXRKXIHBMJACGY-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480657 436061196 /nfs/dbraw/zinc/06/11/96/436061196.db2.gz WXRKXIHBMJACGY-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480657 436061202 /nfs/dbraw/zinc/06/12/02/436061202.db2.gz WXRKXIHBMJACGY-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000647508620 436068464 /nfs/dbraw/zinc/06/84/64/436068464.db2.gz VAFXFVSJXDJIOE-OXQOHEQNSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000647508620 436068466 /nfs/dbraw/zinc/06/84/66/436068466.db2.gz VAFXFVSJXDJIOE-OXQOHEQNSA-N 2 2 310.441 3.210 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509004 436068682 /nfs/dbraw/zinc/06/86/82/436068682.db2.gz FMPZZGWXFOIKQO-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509004 436068688 /nfs/dbraw/zinc/06/86/88/436068688.db2.gz FMPZZGWXFOIKQO-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661441959 436072932 /nfs/dbraw/zinc/07/29/32/436072932.db2.gz IVZJQOSBMUSELZ-QFBILLFUSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661441959 436072940 /nfs/dbraw/zinc/07/29/40/436072940.db2.gz IVZJQOSBMUSELZ-QFBILLFUSA-N 2 2 313.445 3.164 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647542463 436077306 /nfs/dbraw/zinc/07/73/06/436077306.db2.gz RADXJBLTZWUHCI-MFKMUULPSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647542463 436077310 /nfs/dbraw/zinc/07/73/10/436077310.db2.gz RADXJBLTZWUHCI-MFKMUULPSA-N 2 2 316.779 3.125 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000647542416 436078949 /nfs/dbraw/zinc/07/89/49/436078949.db2.gz FPJYCFWUYJODID-XIRDDKMYSA-N 2 2 318.461 3.056 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000647542416 436078954 /nfs/dbraw/zinc/07/89/54/436078954.db2.gz FPJYCFWUYJODID-XIRDDKMYSA-N 2 2 318.461 3.056 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000657314605 436130934 /nfs/dbraw/zinc/13/09/34/436130934.db2.gz XPQMBLZFDPQOJA-CHWSQXEVSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000657314605 436130941 /nfs/dbraw/zinc/13/09/41/436130941.db2.gz XPQMBLZFDPQOJA-CHWSQXEVSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1OC1CC1 ZINC000657314388 436132267 /nfs/dbraw/zinc/13/22/67/436132267.db2.gz UHYBODYTPFKLIR-CABCVRRESA-N 2 2 304.409 3.083 20 0 DGADLP Fc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1OC1CC1 ZINC000657314388 436132272 /nfs/dbraw/zinc/13/22/72/436132272.db2.gz UHYBODYTPFKLIR-CABCVRRESA-N 2 2 304.409 3.083 20 0 DGADLP C[N@H+](CCC[NH3+])[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000647847359 436134786 /nfs/dbraw/zinc/13/47/86/436134786.db2.gz LNHXGVMEXZVPAK-IBGZPJMESA-N 2 2 321.424 3.373 20 0 DGADLP C[N@@H+](CCC[NH3+])[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000647847359 436134794 /nfs/dbraw/zinc/13/47/94/436134794.db2.gz LNHXGVMEXZVPAK-IBGZPJMESA-N 2 2 321.424 3.373 20 0 DGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903486 436144635 /nfs/dbraw/zinc/14/46/35/436144635.db2.gz KHCWAPZBPGZHNC-CXAGYDPISA-N 2 2 310.844 3.486 20 0 DGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903486 436144638 /nfs/dbraw/zinc/14/46/38/436144638.db2.gz KHCWAPZBPGZHNC-CXAGYDPISA-N 2 2 310.844 3.486 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903497 436144778 /nfs/dbraw/zinc/14/47/78/436144778.db2.gz KLFGQPAGDMVYEH-CXAGYDPISA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903497 436144781 /nfs/dbraw/zinc/14/47/81/436144781.db2.gz KLFGQPAGDMVYEH-CXAGYDPISA-N 2 2 308.853 3.313 20 0 DGADLP CO[C@@](C)(C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000647911731 436147251 /nfs/dbraw/zinc/14/72/51/436147251.db2.gz ILJIRIROPZHMLO-BEFAXECRSA-N 2 2 317.477 3.012 20 0 DGADLP CC1([NH3+])CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000647926633 436151705 /nfs/dbraw/zinc/15/17/05/436151705.db2.gz HKIUNAFLZGRTGT-UHFFFAOYSA-N 2 2 323.440 3.105 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657286186 436114800 /nfs/dbraw/zinc/11/48/00/436114800.db2.gz UDPGLTDWCGWENN-UHFFFAOYSA-N 2 2 304.356 3.105 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Br)cc1 ZINC000657291567 436118413 /nfs/dbraw/zinc/11/84/13/436118413.db2.gz XNUIADKOVMTQRL-LLVKDONJSA-N 2 2 320.234 3.443 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000657295620 436119871 /nfs/dbraw/zinc/11/98/71/436119871.db2.gz FKAAYMFXVBIINC-UHFFFAOYSA-N 2 2 316.367 3.393 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657294261 436121369 /nfs/dbraw/zinc/12/13/69/436121369.db2.gz KMSPXTKMMDCOSJ-UHFFFAOYSA-N 2 2 316.367 3.390 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1OC(F)F ZINC000657297842 436122942 /nfs/dbraw/zinc/12/29/42/436122942.db2.gz GWDOSHFIBKWIPC-LLVKDONJSA-N 2 2 307.344 3.282 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccnn1CC1CC1)C1CCCCC1 ZINC000657299300 436123004 /nfs/dbraw/zinc/12/30/04/436123004.db2.gz VAFMFFMATLYUDL-UHFFFAOYSA-N 2 2 304.482 3.037 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccnn1CC1CC1)C1CCCCC1 ZINC000657299300 436123011 /nfs/dbraw/zinc/12/30/11/436123011.db2.gz VAFMFFMATLYUDL-UHFFFAOYSA-N 2 2 304.482 3.037 20 0 DGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796523 436123566 /nfs/dbraw/zinc/12/35/66/436123566.db2.gz CMSBALIHLUVACH-IPMKNSEASA-N 3 2 319.537 3.010 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647938788 436155164 /nfs/dbraw/zinc/15/51/64/436155164.db2.gz VBPJTMYQIQKNMB-INMHGKMJSA-N 2 2 317.477 3.196 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647938788 436155169 /nfs/dbraw/zinc/15/51/69/436155169.db2.gz VBPJTMYQIQKNMB-INMHGKMJSA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957452 436156488 /nfs/dbraw/zinc/15/64/88/436156488.db2.gz UCAQLRJZCAKFJR-CYBMUJFWSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957452 436156494 /nfs/dbraw/zinc/15/64/94/436156494.db2.gz UCAQLRJZCAKFJR-CYBMUJFWSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957452 436156501 /nfs/dbraw/zinc/15/65/01/436156501.db2.gz UCAQLRJZCAKFJR-CYBMUJFWSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957452 436156506 /nfs/dbraw/zinc/15/65/06/436156506.db2.gz UCAQLRJZCAKFJR-CYBMUJFWSA-N 2 2 319.276 3.126 20 0 DGADLP C[C@@]1(F)C[NH2+]CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647981877 436166992 /nfs/dbraw/zinc/16/69/92/436166992.db2.gz QGDQSWOPWFXAHR-OAHLLOKOSA-N 2 2 318.358 3.271 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647965554 436162705 /nfs/dbraw/zinc/16/27/05/436162705.db2.gz AEQPCHVJGYZXII-PVAVHDDUSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965554 436162710 /nfs/dbraw/zinc/16/27/10/436162710.db2.gz AEQPCHVJGYZXII-PVAVHDDUSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647965554 436162715 /nfs/dbraw/zinc/16/27/15/436162715.db2.gz AEQPCHVJGYZXII-PVAVHDDUSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647965554 436162722 /nfs/dbraw/zinc/16/27/22/436162722.db2.gz AEQPCHVJGYZXII-PVAVHDDUSA-N 2 2 308.466 3.062 20 0 DGADLP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657378188 436164849 /nfs/dbraw/zinc/16/48/49/436164849.db2.gz HRPZUVJIAKCYCO-LBPRGKRZSA-N 2 2 324.211 3.359 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968001 436165549 /nfs/dbraw/zinc/16/55/49/436165549.db2.gz INAVYZDMIVWCHX-APWZRJJASA-N 2 2 315.461 3.008 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968001 436165551 /nfs/dbraw/zinc/16/55/51/436165551.db2.gz INAVYZDMIVWCHX-APWZRJJASA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968001 436165555 /nfs/dbraw/zinc/16/55/55/436165555.db2.gz INAVYZDMIVWCHX-APWZRJJASA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968001 436165559 /nfs/dbraw/zinc/16/55/59/436165559.db2.gz INAVYZDMIVWCHX-APWZRJJASA-N 2 2 315.461 3.008 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCCCC2 ZINC000657380132 436168229 /nfs/dbraw/zinc/16/82/29/436168229.db2.gz HKQJBFVYZATSFU-HOTGVXAUSA-N 2 2 303.450 3.047 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000657383280 436170318 /nfs/dbraw/zinc/17/03/18/436170318.db2.gz KZFFNWQACLZHBZ-KRWDZBQOSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657383280 436170326 /nfs/dbraw/zinc/17/03/26/436170326.db2.gz KZFFNWQACLZHBZ-KRWDZBQOSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1cc[nH+]c1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000657383280 436170333 /nfs/dbraw/zinc/17/03/33/436170333.db2.gz KZFFNWQACLZHBZ-KRWDZBQOSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1cc[nH+]c1CNCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657383280 436170339 /nfs/dbraw/zinc/17/03/39/436170339.db2.gz KZFFNWQACLZHBZ-KRWDZBQOSA-N 2 2 314.477 3.464 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2c(C3CC3)cnn2C)n1-c1ccccc1 ZINC000657383116 436170897 /nfs/dbraw/zinc/17/08/97/436170897.db2.gz MHHMDBVZSHNUFR-UHFFFAOYSA-N 2 2 321.428 3.081 20 0 DGADLP FC(F)(F)[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387139 436172442 /nfs/dbraw/zinc/17/24/42/436172442.db2.gz RNWUAUACXJMBRG-YPMHNXCESA-N 2 2 301.356 3.288 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(N2CCCC2)c1 ZINC000657391262 436176550 /nfs/dbraw/zinc/17/65/50/436176550.db2.gz BDFAXTWHLISBDE-OAHLLOKOSA-N 2 2 310.445 3.280 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)O1 ZINC000666218500 436177797 /nfs/dbraw/zinc/17/77/97/436177797.db2.gz PHIDWPYTKNFSFG-RWQQGDIJSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)O1 ZINC000666218500 436177803 /nfs/dbraw/zinc/17/78/03/436177803.db2.gz PHIDWPYTKNFSFG-RWQQGDIJSA-N 2 2 316.489 3.443 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657390988 436175845 /nfs/dbraw/zinc/17/58/45/436175845.db2.gz GOIHWSXHKUMAPA-NEPJUHHUSA-N 2 2 301.356 3.288 20 0 DGADLP CC[C@@H](CSc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657414582 436187557 /nfs/dbraw/zinc/18/75/57/436187557.db2.gz BXGMLMSARGVSPD-AWEZNQCLSA-N 2 2 301.459 3.490 20 0 DGADLP CC(C)c1csc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657399284 436180807 /nfs/dbraw/zinc/18/08/07/436180807.db2.gz RZUYNZLXFMSTNO-UHFFFAOYSA-N 2 2 313.430 3.137 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2cccs2)n1 ZINC000657524836 436235266 /nfs/dbraw/zinc/23/52/66/436235266.db2.gz MGXOANOGAVEERB-AWEZNQCLSA-N 2 2 318.490 3.111 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(-c2cccs2)n1 ZINC000657524836 436235268 /nfs/dbraw/zinc/23/52/68/436235268.db2.gz MGXOANOGAVEERB-AWEZNQCLSA-N 2 2 318.490 3.111 20 0 DGADLP O=C1CCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000661956237 436235538 /nfs/dbraw/zinc/23/55/38/436235538.db2.gz FODMQVYBOWMNCU-UHFFFAOYSA-N 2 2 309.413 3.208 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513026 436189072 /nfs/dbraw/zinc/18/90/72/436189072.db2.gz IVTJEZZKAONMJO-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513026 436189073 /nfs/dbraw/zinc/18/90/73/436189073.db2.gz IVTJEZZKAONMJO-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513026 436189080 /nfs/dbraw/zinc/18/90/80/436189080.db2.gz IVTJEZZKAONMJO-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513026 436189083 /nfs/dbraw/zinc/18/90/83/436189083.db2.gz IVTJEZZKAONMJO-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513025 436190161 /nfs/dbraw/zinc/19/01/61/436190161.db2.gz IVTJEZZKAONMJO-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513025 436190165 /nfs/dbraw/zinc/19/01/65/436190165.db2.gz IVTJEZZKAONMJO-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513025 436190168 /nfs/dbraw/zinc/19/01/68/436190168.db2.gz IVTJEZZKAONMJO-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513025 436190170 /nfs/dbraw/zinc/19/01/70/436190170.db2.gz IVTJEZZKAONMJO-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000657439708 436201512 /nfs/dbraw/zinc/20/15/12/436201512.db2.gz DFMPWSABDSLTIF-INIZCTEOSA-N 2 2 324.453 3.420 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2ccccn2)c2ccccc2)n1C ZINC000657440316 436201973 /nfs/dbraw/zinc/20/19/73/436201973.db2.gz VUYIHBQACXEOOY-IBGZPJMESA-N 2 2 306.413 3.197 20 0 DGADLP Cc1ccc(SC[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657439299 436203516 /nfs/dbraw/zinc/20/35/16/436203516.db2.gz ZSOQCUZMCVHHEH-CQSZACIVSA-N 2 2 301.459 3.408 20 0 DGADLP CC[C@@H](OCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590023 436217314 /nfs/dbraw/zinc/21/73/14/436217314.db2.gz JNRAUSRCMPRLAN-QZTJIDSGSA-N 2 2 313.445 3.377 20 0 DGADLP CC[C@@H](OCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590023 436217318 /nfs/dbraw/zinc/21/73/18/436217318.db2.gz JNRAUSRCMPRLAN-QZTJIDSGSA-N 2 2 313.445 3.377 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000653590558 436217648 /nfs/dbraw/zinc/21/76/48/436217648.db2.gz KNZHHXLGXVFQMH-GFCCVEGCSA-N 2 2 305.809 3.072 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478776 436221056 /nfs/dbraw/zinc/22/10/56/436221056.db2.gz FKWGEMMLULNNHI-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478776 436221061 /nfs/dbraw/zinc/22/10/61/436221061.db2.gz FKWGEMMLULNNHI-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CC2 ZINC000657482790 436221958 /nfs/dbraw/zinc/22/19/58/436221958.db2.gz AVVVIXUMVFMORK-GFCCVEGCSA-N 2 2 307.319 3.024 20 0 DGADLP COCc1csc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000657500198 436229965 /nfs/dbraw/zinc/22/99/65/436229965.db2.gz IUQDTMLRYYFBAM-UHFFFAOYSA-N 2 2 315.442 3.183 20 0 DGADLP CC(C)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C ZINC000657750654 436295616 /nfs/dbraw/zinc/29/56/16/436295616.db2.gz KZHJMWYYDPGKLW-LULLPPNCSA-N 2 2 308.510 3.290 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000657588951 436255006 /nfs/dbraw/zinc/25/50/06/436255006.db2.gz YIOYWHVBJYIXKH-XLIONFOSSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000657588951 436255007 /nfs/dbraw/zinc/25/50/07/436255007.db2.gz YIOYWHVBJYIXKH-XLIONFOSSA-N 2 2 309.457 3.043 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657621338 436263588 /nfs/dbraw/zinc/26/35/88/436263588.db2.gz ONSYUMMSQAFXCN-UHFFFAOYSA-N 2 2 315.392 3.118 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@@H+]1Cc1ccccc1 ZINC000657665549 436273495 /nfs/dbraw/zinc/27/34/95/436273495.db2.gz LPMQFETZJOMJBR-PSBWJHGTSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@H+]1Cc1ccccc1 ZINC000657665549 436273498 /nfs/dbraw/zinc/27/34/98/436273498.db2.gz LPMQFETZJOMJBR-PSBWJHGTSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000666769692 436278640 /nfs/dbraw/zinc/27/86/40/436278640.db2.gz CCPGAXCVOGKALT-KBPBESRZSA-N 2 2 323.868 3.097 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770113 436279088 /nfs/dbraw/zinc/27/90/88/436279088.db2.gz LDXZFUBUXNRRFJ-HIFRSBDPSA-N 2 2 323.868 3.097 20 0 DGADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000662389546 436342836 /nfs/dbraw/zinc/34/28/36/436342836.db2.gz CJTNMKWWYWXEEU-INIZCTEOSA-N 2 2 322.412 3.246 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000666868689 436297936 /nfs/dbraw/zinc/29/79/36/436297936.db2.gz QZKRVLCUFZZAPB-CQSZACIVSA-N 2 2 304.463 3.006 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000666870288 436298053 /nfs/dbraw/zinc/29/80/53/436298053.db2.gz IVGGTKYSLAREDM-CQSZACIVSA-N 2 2 304.463 3.006 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)CC[NH2+]1 ZINC000666873222 436299318 /nfs/dbraw/zinc/29/93/18/436299318.db2.gz ILKACOVMVKHNIS-UWVGGRQHSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657784467 436302519 /nfs/dbraw/zinc/30/25/19/436302519.db2.gz BZYUGRRSKJDHAH-NXHRZFHOSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657784467 436302523 /nfs/dbraw/zinc/30/25/23/436302523.db2.gz BZYUGRRSKJDHAH-NXHRZFHOSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000657790778 436306134 /nfs/dbraw/zinc/30/61/34/436306134.db2.gz VGPDNAGEUXIIBC-SJORKVTESA-N 2 2 308.853 3.071 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3[C@@H]4Cc5cc(F)ccc5[C@@H]43)c[nH+]c12 ZINC000657789064 436306202 /nfs/dbraw/zinc/30/62/02/436306202.db2.gz DEXJHHLNWBJJPZ-FGTMMUONSA-N 2 2 307.372 3.210 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000662247686 436310596 /nfs/dbraw/zinc/31/05/96/436310596.db2.gz JTROZECFAPQJJR-CYBMUJFWSA-N 2 2 304.356 3.232 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000662247686 436310600 /nfs/dbraw/zinc/31/06/00/436310600.db2.gz JTROZECFAPQJJR-CYBMUJFWSA-N 2 2 304.356 3.232 20 0 DGADLP c1ccc2c(CC[NH+]3CCC([NH2+]CC4CC4)CC3)nsc2c1 ZINC000662246988 436311892 /nfs/dbraw/zinc/31/18/92/436311892.db2.gz WBDQBBIYGNLBHJ-UHFFFAOYSA-N 2 2 315.486 3.303 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000666945406 436312771 /nfs/dbraw/zinc/31/27/71/436312771.db2.gz OJZAMCUAQYLDFK-ROUUACIJSA-N 2 2 314.404 3.055 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266415 436315816 /nfs/dbraw/zinc/31/58/16/436315816.db2.gz YEGPBJKZXDORRR-PBWFPOADSA-N 2 2 314.351 3.142 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266415 436315819 /nfs/dbraw/zinc/31/58/19/436315819.db2.gz YEGPBJKZXDORRR-PBWFPOADSA-N 2 2 314.351 3.142 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000657820411 436317603 /nfs/dbraw/zinc/31/76/03/436317603.db2.gz KECKSFPMBVOXCZ-WMLDXEAASA-N 2 2 307.401 3.255 20 0 DGADLP CC[C@H](C[NH2+][C@H]1COC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657828337 436320392 /nfs/dbraw/zinc/32/03/92/436320392.db2.gz SCCXPTPFYTZAFQ-RTBURBONSA-N 2 2 314.473 3.125 20 0 DGADLP CC[C@H](C[NH2+][C@H]1COC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000657828337 436320396 /nfs/dbraw/zinc/32/03/96/436320396.db2.gz SCCXPTPFYTZAFQ-RTBURBONSA-N 2 2 314.473 3.125 20 0 DGADLP c1ccc2c(CC[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)nsc2c1 ZINC000662275212 436321051 /nfs/dbraw/zinc/32/10/51/436321051.db2.gz VXKFQVXBHWDFDP-IRXDYDNUSA-N 2 2 315.486 3.445 20 0 DGADLP c1ccc2c(CC[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)nsc2c1 ZINC000662275212 436321053 /nfs/dbraw/zinc/32/10/53/436321053.db2.gz VXKFQVXBHWDFDP-IRXDYDNUSA-N 2 2 315.486 3.445 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000666990251 436321119 /nfs/dbraw/zinc/32/11/19/436321119.db2.gz CBDYEFRCYMHUCY-UHFFFAOYSA-N 2 2 304.768 3.173 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657845580 436324872 /nfs/dbraw/zinc/32/48/72/436324872.db2.gz MEPZQBBQKPOJNR-SFHVURJKSA-N 2 2 318.436 3.091 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319196 436331356 /nfs/dbraw/zinc/33/13/56/436331356.db2.gz KGSZHPOFPIFPAC-LSDHHAIUSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319196 436331359 /nfs/dbraw/zinc/33/13/59/436331359.db2.gz KGSZHPOFPIFPAC-LSDHHAIUSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000667057635 436331957 /nfs/dbraw/zinc/33/19/57/436331957.db2.gz RXIYFIHZSINCAX-QGZVFWFLSA-N 3 2 317.521 3.252 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nccc32)CC[N@@H+]1Cc1ccccc1 ZINC000657901664 436336576 /nfs/dbraw/zinc/33/65/76/436336576.db2.gz RXEZTTMLXUVAJS-BHIYHBOVSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nccc32)CC[N@H+]1Cc1ccccc1 ZINC000657901664 436336578 /nfs/dbraw/zinc/33/65/78/436336578.db2.gz RXEZTTMLXUVAJS-BHIYHBOVSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059170 436361811 /nfs/dbraw/zinc/36/18/11/436361811.db2.gz VNPVHTWMJDFTAO-BBRMVZONSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059170 436361816 /nfs/dbraw/zinc/36/18/16/436361816.db2.gz VNPVHTWMJDFTAO-BBRMVZONSA-N 2 2 315.461 3.095 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC000658059088 436361892 /nfs/dbraw/zinc/36/18/92/436361892.db2.gz HTEJWGPZUIFIKE-HOTGVXAUSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C2 ZINC000658059088 436361895 /nfs/dbraw/zinc/36/18/95/436361895.db2.gz HTEJWGPZUIFIKE-HOTGVXAUSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC000658059094 436362447 /nfs/dbraw/zinc/36/24/47/436362447.db2.gz HTEJWGPZUIFIKE-JKSUJKDBSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C2 ZINC000658059094 436362450 /nfs/dbraw/zinc/36/24/50/436362450.db2.gz HTEJWGPZUIFIKE-JKSUJKDBSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658064301 436362710 /nfs/dbraw/zinc/36/27/10/436362710.db2.gz ZFUUBODYBRYBLJ-CJNGLKHVSA-N 2 2 306.425 3.284 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658064301 436362712 /nfs/dbraw/zinc/36/27/12/436362712.db2.gz ZFUUBODYBRYBLJ-CJNGLKHVSA-N 2 2 306.425 3.284 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062265 436363320 /nfs/dbraw/zinc/36/33/20/436363320.db2.gz DYZLCPZDPHTLCS-PKOBYXMFSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062265 436363324 /nfs/dbraw/zinc/36/33/24/436363324.db2.gz DYZLCPZDPHTLCS-PKOBYXMFSA-N 2 2 309.457 3.439 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062544 436363604 /nfs/dbraw/zinc/36/36/04/436363604.db2.gz SKVYOLVUKQNZFM-IUODEOHRSA-N 2 2 306.425 3.284 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062544 436363606 /nfs/dbraw/zinc/36/36/06/436363606.db2.gz SKVYOLVUKQNZFM-IUODEOHRSA-N 2 2 306.425 3.284 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000658125756 436381355 /nfs/dbraw/zinc/38/13/55/436381355.db2.gz YFSPWVRZRRCMJY-HNNXBMFYSA-N 2 2 322.415 3.341 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658124231 436381775 /nfs/dbraw/zinc/38/17/75/436381775.db2.gz FIUNQRKPGKMPSU-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@@H](C[NH3+])CC(C)C)[nH+]1 ZINC000662793116 436386534 /nfs/dbraw/zinc/38/65/34/436386534.db2.gz VAXYKGKFUDOQHP-AWEZNQCLSA-N 2 2 314.433 3.335 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658240129 436408455 /nfs/dbraw/zinc/40/84/55/436408455.db2.gz QGTVZDTYOZUYLB-JKSUJKDBSA-N 2 2 311.473 3.345 20 0 DGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020838 436355185 /nfs/dbraw/zinc/35/51/85/436355185.db2.gz ZCYQAIUGDSZZSQ-KDOFPFPSSA-N 2 2 309.457 3.367 20 0 DGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020838 436355190 /nfs/dbraw/zinc/35/51/90/436355190.db2.gz ZCYQAIUGDSZZSQ-KDOFPFPSSA-N 2 2 309.457 3.367 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CCC2)c1 ZINC000658323927 436430228 /nfs/dbraw/zinc/43/02/28/436430228.db2.gz UUNAKMVTIIBFQO-GDBMZVCRSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CCC2)c1 ZINC000658323927 436430231 /nfs/dbraw/zinc/43/02/31/436430231.db2.gz UUNAKMVTIIBFQO-GDBMZVCRSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC000658333686 436433063 /nfs/dbraw/zinc/43/30/63/436433063.db2.gz YQBHSQUNQRTALX-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)CCC[N@H+]1Cc1ccccc1 ZINC000658333686 436433066 /nfs/dbraw/zinc/43/30/66/436433066.db2.gz YQBHSQUNQRTALX-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663473930 436467267 /nfs/dbraw/zinc/46/72/67/436467267.db2.gz ZWPICRHCMDEDGD-NJAFHUGGSA-N 2 2 324.472 3.180 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663473930 436467270 /nfs/dbraw/zinc/46/72/70/436467270.db2.gz ZWPICRHCMDEDGD-NJAFHUGGSA-N 2 2 324.472 3.180 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286256 436417217 /nfs/dbraw/zinc/41/72/17/436417217.db2.gz QUFRPULYZQUBNF-PBHICJAKSA-N 2 2 320.477 3.017 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286256 436417220 /nfs/dbraw/zinc/41/72/20/436417220.db2.gz QUFRPULYZQUBNF-PBHICJAKSA-N 2 2 320.477 3.017 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286262 436417508 /nfs/dbraw/zinc/41/75/08/436417508.db2.gz QUFRPULYZQUBNF-YOEHRIQHSA-N 2 2 320.477 3.017 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286262 436417513 /nfs/dbraw/zinc/41/75/13/436417513.db2.gz QUFRPULYZQUBNF-YOEHRIQHSA-N 2 2 320.477 3.017 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287337 436418349 /nfs/dbraw/zinc/41/83/49/436418349.db2.gz HIDOBZNVOUIKSC-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287337 436418353 /nfs/dbraw/zinc/41/83/53/436418353.db2.gz HIDOBZNVOUIKSC-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287407 436418611 /nfs/dbraw/zinc/41/86/11/436418611.db2.gz HWNRXUQXPGYOCT-NVXWUHKLSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287407 436418614 /nfs/dbraw/zinc/41/86/14/436418614.db2.gz HWNRXUQXPGYOCT-NVXWUHKLSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288050 436419122 /nfs/dbraw/zinc/41/91/22/436419122.db2.gz QTTLMTKCYBHYHK-DOTOQJQBSA-N 2 2 317.477 3.040 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288050 436419127 /nfs/dbraw/zinc/41/91/27/436419127.db2.gz QTTLMTKCYBHYHK-DOTOQJQBSA-N 2 2 317.477 3.040 20 0 DGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658294967 436420218 /nfs/dbraw/zinc/42/02/18/436420218.db2.gz QIIFJXHXVIYSCF-AEFFLSMTSA-N 2 2 320.864 3.170 20 0 DGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658293473 436420546 /nfs/dbraw/zinc/42/05/46/436420546.db2.gz AOUGOYUWIWMKNJ-RBUKOAKNSA-N 2 2 314.473 3.134 20 0 DGADLP FC(F)(F)c1ccncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000663472811 436466859 /nfs/dbraw/zinc/46/68/59/436466859.db2.gz AOCIGGPUMUCHPN-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH+]1 ZINC000663854375 436518641 /nfs/dbraw/zinc/51/86/41/436518641.db2.gz RAOLEQRERAMWBU-CQSZACIVSA-N 2 2 323.318 3.462 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663474679 436468501 /nfs/dbraw/zinc/46/85/01/436468501.db2.gz PDLSMGKETZPNHE-UHFFFAOYSA-N 2 2 301.356 3.064 20 0 DGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497805 436470362 /nfs/dbraw/zinc/47/03/62/436470362.db2.gz KEYQWLCOJWMRBV-UHFFFAOYSA-N 2 2 324.472 3.011 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000663730096 436498588 /nfs/dbraw/zinc/49/85/88/436498588.db2.gz WZEWAHRMAHKMTE-TZMCWYRMSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000663730096 436498593 /nfs/dbraw/zinc/49/85/93/436498593.db2.gz WZEWAHRMAHKMTE-TZMCWYRMSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)ccn12 ZINC000655145074 436502553 /nfs/dbraw/zinc/50/25/53/436502553.db2.gz RHJRCIIKYYGXFJ-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP C[C@@H](CCNc1[nH+]cnc2[nH]c3cc(F)ccc3c21)[NH+](C)C ZINC000664245938 436579524 /nfs/dbraw/zinc/57/95/24/436579524.db2.gz QHHILZWLEHKGPF-JTQLQIEISA-N 2 2 301.369 3.002 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927266 436561920 /nfs/dbraw/zinc/56/19/20/436561920.db2.gz GBSCWMHVLYXUSA-GJZGRUSLSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927266 436561924 /nfs/dbraw/zinc/56/19/24/436561924.db2.gz GBSCWMHVLYXUSA-GJZGRUSLSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927266 436561928 /nfs/dbraw/zinc/56/19/28/436561928.db2.gz GBSCWMHVLYXUSA-GJZGRUSLSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927266 436561930 /nfs/dbraw/zinc/56/19/30/436561930.db2.gz GBSCWMHVLYXUSA-GJZGRUSLSA-N 2 2 323.506 3.238 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NCc1ccc[nH+]c1N1CCCC1 ZINC000664194645 436572738 /nfs/dbraw/zinc/57/27/38/436572738.db2.gz GIACYSNTINRBEQ-UHFFFAOYSA-N 2 2 319.412 3.424 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000655686479 436573833 /nfs/dbraw/zinc/57/38/33/436573833.db2.gz IONVKBNFUBMQFW-PBHICJAKSA-N 2 2 301.459 3.305 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655684186 436573920 /nfs/dbraw/zinc/57/39/20/436573920.db2.gz ZKYHXWMHFPOOTC-OALUTQOASA-N 2 2 302.462 3.371 20 0 DGADLP c1cc(C[NH+]2CCC(CNc3cc[nH+]c(C4CC4)n3)CC2)ccn1 ZINC000664282416 436581541 /nfs/dbraw/zinc/58/15/41/436581541.db2.gz CQMGRMWQDKPFRN-UHFFFAOYSA-N 2 2 323.444 3.073 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660075616 436586141 /nfs/dbraw/zinc/58/61/41/436586141.db2.gz BPMIYNXXWZZVPU-CQSZACIVSA-N 2 2 317.458 3.390 20 0 DGADLP COc1cccc(SCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660075616 436586145 /nfs/dbraw/zinc/58/61/45/436586145.db2.gz BPMIYNXXWZZVPU-CQSZACIVSA-N 2 2 317.458 3.390 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000660107985 436589384 /nfs/dbraw/zinc/58/93/84/436589384.db2.gz MZOGEQSMNYZVFV-IBGZPJMESA-N 2 2 320.452 3.006 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000660107985 436589386 /nfs/dbraw/zinc/58/93/86/436589386.db2.gz MZOGEQSMNYZVFV-IBGZPJMESA-N 2 2 320.452 3.006 20 0 DGADLP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116118 436591070 /nfs/dbraw/zinc/59/10/70/436591070.db2.gz VLPRACRJCFJPNT-RDTXWAMCSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116118 436591071 /nfs/dbraw/zinc/59/10/71/436591071.db2.gz VLPRACRJCFJPNT-RDTXWAMCSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116118 436591073 /nfs/dbraw/zinc/59/10/73/436591073.db2.gz VLPRACRJCFJPNT-RDTXWAMCSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116118 436591075 /nfs/dbraw/zinc/59/10/75/436591075.db2.gz VLPRACRJCFJPNT-RDTXWAMCSA-N 2 2 301.434 3.001 20 0 DGADLP c1[nH]nc2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc12 ZINC000660148217 436594342 /nfs/dbraw/zinc/59/43/42/436594342.db2.gz NQNNVBKLXGJAKV-UHFFFAOYSA-N 2 2 307.401 3.034 20 0 DGADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660199737 436603878 /nfs/dbraw/zinc/60/38/78/436603878.db2.gz CMFILKXXHXVHKM-SJLPKXTDSA-N 2 2 322.493 3.073 20 0 DGADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660199737 436603879 /nfs/dbraw/zinc/60/38/79/436603879.db2.gz CMFILKXXHXVHKM-SJLPKXTDSA-N 2 2 322.493 3.073 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660263710 436615912 /nfs/dbraw/zinc/61/59/12/436615912.db2.gz MAFLOVXRJKDWCB-HUUCEWRRSA-N 2 2 304.434 3.093 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660263710 436615915 /nfs/dbraw/zinc/61/59/15/436615915.db2.gz MAFLOVXRJKDWCB-HUUCEWRRSA-N 2 2 304.434 3.093 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@H]1C[NH3+] ZINC000430592862 533696283 /nfs/dbraw/zinc/69/62/83/533696283.db2.gz IINKZFPGYFSEAW-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@H]1C[NH3+] ZINC000430592862 533696297 /nfs/dbraw/zinc/69/62/97/533696297.db2.gz IINKZFPGYFSEAW-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000528728446 313066977 /nfs/dbraw/zinc/06/69/77/313066977.db2.gz JGJGAOUBRXRQBX-UHFFFAOYSA-N 2 2 314.473 3.251 20 0 DGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(C)s1 ZINC000528730611 313068447 /nfs/dbraw/zinc/06/84/47/313068447.db2.gz YIFKXXIWGLDXMG-UHFFFAOYSA-N 2 2 308.491 3.052 20 0 DGADLP C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000528773011 313079900 /nfs/dbraw/zinc/07/99/00/313079900.db2.gz NUTVHELGWMOAAZ-HNNXBMFYSA-N 2 2 324.415 3.138 20 0 DGADLP C[C@H]1CC(F)(F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000528773011 313079903 /nfs/dbraw/zinc/07/99/03/313079903.db2.gz NUTVHELGWMOAAZ-HNNXBMFYSA-N 2 2 324.415 3.138 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cn2)[C@@H]1c1cccs1 ZINC000529546887 313224196 /nfs/dbraw/zinc/22/41/96/313224196.db2.gz GZPBZGNQFKQNGK-SUMWQHHRSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cn2)[C@@H]1c1cccs1 ZINC000529546887 313224198 /nfs/dbraw/zinc/22/41/98/313224198.db2.gz GZPBZGNQFKQNGK-SUMWQHHRSA-N 2 2 319.449 3.455 20 0 DGADLP FC(F)(F)COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177874 313334182 /nfs/dbraw/zinc/33/41/82/313334182.db2.gz JHJVXHRKOAYMJJ-AWEZNQCLSA-N 2 2 314.351 3.002 20 0 DGADLP CC(C)c1nnc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000541383408 314012843 /nfs/dbraw/zinc/01/28/43/314012843.db2.gz JEDKHQBVWXQVLG-UHFFFAOYSA-N 2 2 319.459 3.199 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000541558677 314022906 /nfs/dbraw/zinc/02/29/06/314022906.db2.gz QYNDESQUDCAUQF-SOAMZJECSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000541558677 314022909 /nfs/dbraw/zinc/02/29/09/314022909.db2.gz QYNDESQUDCAUQF-SOAMZJECSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000542670023 314090437 /nfs/dbraw/zinc/09/04/37/314090437.db2.gz FIKLEJLJAMTIFY-YLJYHZDGSA-N 2 2 324.472 3.420 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000542670023 314090441 /nfs/dbraw/zinc/09/04/41/314090441.db2.gz FIKLEJLJAMTIFY-YLJYHZDGSA-N 2 2 324.472 3.420 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000543140988 314116058 /nfs/dbraw/zinc/11/60/58/314116058.db2.gz ACLNDLHQFMNPAD-INIZCTEOSA-N 2 2 312.461 3.427 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000543591955 314143469 /nfs/dbraw/zinc/14/34/69/314143469.db2.gz OKCILXBQKXWSHD-IBGZPJMESA-N 2 2 310.445 3.028 20 0 DGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2)c1 ZINC000546568684 314311876 /nfs/dbraw/zinc/31/18/76/314311876.db2.gz HHJSDVDXCJXTET-SFTDATJTSA-N 2 2 324.468 3.049 20 0 DGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc2)c1 ZINC000546568684 314311878 /nfs/dbraw/zinc/31/18/78/314311878.db2.gz HHJSDVDXCJXTET-SFTDATJTSA-N 2 2 324.468 3.049 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(CC)CC ZINC000551563226 314566851 /nfs/dbraw/zinc/56/68/51/314566851.db2.gz DNZHOESZSMVSLP-CVEARBPZSA-N 2 2 305.466 3.293 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000555524932 314726753 /nfs/dbraw/zinc/72/67/53/314726753.db2.gz UKORPIZGMCBUID-QZTJIDSGSA-N 2 2 324.509 3.354 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000558722518 314861553 /nfs/dbraw/zinc/86/15/53/314861553.db2.gz JSDPILSUPBGTLS-HNNXBMFYSA-N 2 2 318.383 3.060 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@@H]2C ZINC000563354661 315105517 /nfs/dbraw/zinc/10/55/17/315105517.db2.gz NMNFKYYOZHEQJW-HUUCEWRRSA-N 2 2 313.445 3.369 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@@H]2C ZINC000563354661 315105521 /nfs/dbraw/zinc/10/55/21/315105521.db2.gz NMNFKYYOZHEQJW-HUUCEWRRSA-N 2 2 313.445 3.369 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096413 315157061 /nfs/dbraw/zinc/15/70/61/315157061.db2.gz KOVXBTPRGQDGGX-RTWAWAEBSA-N 2 2 324.468 3.099 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096413 315157063 /nfs/dbraw/zinc/15/70/63/315157063.db2.gz KOVXBTPRGQDGGX-RTWAWAEBSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096413 315157065 /nfs/dbraw/zinc/15/70/65/315157065.db2.gz KOVXBTPRGQDGGX-RTWAWAEBSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096413 315157067 /nfs/dbraw/zinc/15/70/67/315157067.db2.gz KOVXBTPRGQDGGX-RTWAWAEBSA-N 2 2 324.468 3.099 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000564144899 315159327 /nfs/dbraw/zinc/15/93/27/315159327.db2.gz XFSZOCLYPBPIJT-HNNXBMFYSA-N 2 2 303.381 3.088 20 0 DGADLP C[C@H](C[NH2+]CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000564298784 315166945 /nfs/dbraw/zinc/16/69/45/315166945.db2.gz ANOIIHQNXMNBCH-CYBMUJFWSA-N 2 2 300.368 3.494 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000564526600 315180680 /nfs/dbraw/zinc/18/06/80/315180680.db2.gz BKQQJCSSYMNTHO-CYBMUJFWSA-N 2 2 309.335 3.358 20 0 DGADLP CC(C)c1[nH+]c(CN[C@@H](c2[nH+]ccn2C)C2CC2)c2ccccn21 ZINC000564733564 315196081 /nfs/dbraw/zinc/19/60/81/315196081.db2.gz WVMCUZMMMXAWRL-QGZVFWFLSA-N 2 2 323.444 3.432 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc(C2CC2)c1 ZINC000565373449 315257220 /nfs/dbraw/zinc/25/72/20/315257220.db2.gz WBGGTSXCFPSHBC-FQEVSTJZSA-N 2 2 314.473 3.251 20 0 DGADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc(C2CC2)c1 ZINC000565373449 315257223 /nfs/dbraw/zinc/25/72/23/315257223.db2.gz WBGGTSXCFPSHBC-FQEVSTJZSA-N 2 2 314.473 3.251 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000565661074 315278463 /nfs/dbraw/zinc/27/84/63/315278463.db2.gz QKUQOZHYTPLCJI-GASCZTMLSA-N 2 2 312.417 3.026 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)n1C ZINC000565963043 315300799 /nfs/dbraw/zinc/30/07/99/315300799.db2.gz NTPQHIIBTWTDIT-UHFFFAOYSA-N 2 2 302.809 3.196 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1Br ZINC000566059964 315308131 /nfs/dbraw/zinc/30/81/31/315308131.db2.gz KIRHMZBFPBTWGH-MLGOLLRUSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1Br ZINC000566059964 315308133 /nfs/dbraw/zinc/30/81/33/315308133.db2.gz KIRHMZBFPBTWGH-MLGOLLRUSA-N 2 2 323.278 3.330 20 0 DGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000566111443 315313445 /nfs/dbraw/zinc/31/34/45/315313445.db2.gz GHUKHNIGUWRVHZ-JXFKEZNVSA-N 2 2 321.424 3.127 20 0 DGADLP c1cn(Cc2ccccc2)c(CSCC2CC[NH2+]CC2)[nH+]1 ZINC000566184116 315320630 /nfs/dbraw/zinc/32/06/30/315320630.db2.gz YWUXTSADBLXWFK-UHFFFAOYSA-N 2 2 301.459 3.164 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000566414672 315342899 /nfs/dbraw/zinc/34/28/99/315342899.db2.gz SIYIXUWIPZUZGL-LBPRGKRZSA-N 2 2 323.799 3.081 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000566414672 315342901 /nfs/dbraw/zinc/34/29/01/315342901.db2.gz SIYIXUWIPZUZGL-LBPRGKRZSA-N 2 2 323.799 3.081 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566473515 315350712 /nfs/dbraw/zinc/35/07/12/315350712.db2.gz CDVUHHLDVXZHPP-VDZJLULYSA-N 2 2 324.472 3.489 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566473515 315350716 /nfs/dbraw/zinc/35/07/16/315350716.db2.gz CDVUHHLDVXZHPP-VDZJLULYSA-N 2 2 324.472 3.489 20 0 DGADLP CCC[N@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000566970310 315387540 /nfs/dbraw/zinc/38/75/40/315387540.db2.gz LLYJAFALOCNCNU-KURKYZTESA-N 2 2 302.462 3.458 20 0 DGADLP CCC[N@@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000566970310 315387542 /nfs/dbraw/zinc/38/75/42/315387542.db2.gz LLYJAFALOCNCNU-KURKYZTESA-N 2 2 302.462 3.458 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000569245898 315568258 /nfs/dbraw/zinc/56/82/58/315568258.db2.gz PYDBMLKYJSSOBN-AHCXZYCDSA-N 2 2 306.425 3.359 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(Br)s2)n1C ZINC000570464799 315651647 /nfs/dbraw/zinc/65/16/47/315651647.db2.gz WGZHDGVFMWLRIM-QMMMGPOBSA-N 2 2 314.252 3.403 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000573717992 315893890 /nfs/dbraw/zinc/89/38/90/315893890.db2.gz LIALUKJMLFLJBO-OAHLLOKOSA-N 2 2 300.406 3.180 20 0 DGADLP Cc1ccc(OCc2nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cs2)cc1 ZINC000574877039 316010439 /nfs/dbraw/zinc/01/04/39/316010439.db2.gz GSATWFPWINKQGZ-ZIAGYGMSSA-N 2 2 319.474 3.246 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccn1 ZINC000575072218 316030424 /nfs/dbraw/zinc/03/04/24/316030424.db2.gz VFBQZAIVZBVTGH-VCBZYWHSSA-N 2 2 311.429 3.039 20 0 DGADLP CC(C)Sc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000575134128 316036872 /nfs/dbraw/zinc/03/68/72/316036872.db2.gz JMLVLTZKCQCULU-UHFFFAOYSA-N 2 2 316.474 3.232 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)[nH+]1 ZINC000576114860 316096904 /nfs/dbraw/zinc/09/69/04/316096904.db2.gz YTECHTKSWOBIIR-UHFFFAOYSA-N 2 2 318.465 3.345 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(C)[nH+]1 ZINC000576114860 316096907 /nfs/dbraw/zinc/09/69/07/316096907.db2.gz YTECHTKSWOBIIR-UHFFFAOYSA-N 2 2 318.465 3.345 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169361 316102335 /nfs/dbraw/zinc/10/23/35/316102335.db2.gz HGVVRJYSUTVLKK-UWVGGRQHSA-N 2 2 323.239 3.096 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169361 316102338 /nfs/dbraw/zinc/10/23/38/316102338.db2.gz HGVVRJYSUTVLKK-UWVGGRQHSA-N 2 2 323.239 3.096 20 0 DGADLP C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000576362242 316122840 /nfs/dbraw/zinc/12/28/40/316122840.db2.gz XWAQMQIDPYDWIX-KRWDZBQOSA-N 2 2 312.461 3.082 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000576386753 316124518 /nfs/dbraw/zinc/12/45/18/316124518.db2.gz VXCBYNKGLPGHTI-MSOLQXFVSA-N 2 2 302.462 3.359 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)cc2[nH+]1 ZINC000576886254 316178840 /nfs/dbraw/zinc/17/88/40/316178840.db2.gz VQKPEGNDWLAHPU-UHFFFAOYSA-N 2 2 322.412 3.228 20 0 DGADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC[NH+](C)C ZINC000576896279 316180343 /nfs/dbraw/zinc/18/03/43/316180343.db2.gz HGMHJUXKHHDBSE-HNNXBMFYSA-N 2 2 313.283 3.312 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000576992214 316189898 /nfs/dbraw/zinc/18/98/98/316189898.db2.gz HAGGBEQALZECDK-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000576992214 316189901 /nfs/dbraw/zinc/18/99/01/316189901.db2.gz HAGGBEQALZECDK-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP c1c[nH+]c(N2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)[nH]1 ZINC000577188827 316211099 /nfs/dbraw/zinc/21/10/99/316211099.db2.gz NWUHVBMVKSRKKU-UHFFFAOYSA-N 2 2 324.453 3.460 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505477 316243379 /nfs/dbraw/zinc/24/33/79/316243379.db2.gz JNBOPXPWFZDYDN-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505477 316243383 /nfs/dbraw/zinc/24/33/83/316243383.db2.gz JNBOPXPWFZDYDN-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505477 316243386 /nfs/dbraw/zinc/24/33/86/316243386.db2.gz JNBOPXPWFZDYDN-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505477 316243391 /nfs/dbraw/zinc/24/33/91/316243391.db2.gz JNBOPXPWFZDYDN-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1C ZINC000577746835 316267525 /nfs/dbraw/zinc/26/75/25/316267525.db2.gz ITMUKYHDGHBOQX-JTQLQIEISA-N 2 2 313.323 3.478 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000578013004 316294283 /nfs/dbraw/zinc/29/42/83/316294283.db2.gz VUQIODGUIBKCKA-KXBFYZLASA-N 2 2 320.452 3.462 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578013004 316294286 /nfs/dbraw/zinc/29/42/86/316294286.db2.gz VUQIODGUIBKCKA-KXBFYZLASA-N 2 2 320.452 3.462 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000578135159 316306231 /nfs/dbraw/zinc/30/62/31/316306231.db2.gz SWNBDNACRPJZJU-MRXNPFEDSA-N 2 2 315.486 3.099 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000578135159 316306235 /nfs/dbraw/zinc/30/62/35/316306235.db2.gz SWNBDNACRPJZJU-MRXNPFEDSA-N 2 2 315.486 3.099 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCC2 ZINC000181586546 323260393 /nfs/dbraw/zinc/26/03/93/323260393.db2.gz IEVWZOYGPGUAFY-IAGOWNOFSA-N 2 2 313.445 3.433 20 0 DGADLP c1csc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)c1 ZINC000182623503 323306569 /nfs/dbraw/zinc/30/65/69/323306569.db2.gz MIRFYZXBKWEXSQ-HNNXBMFYSA-N 2 2 305.447 3.016 20 0 DGADLP c1csc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)c1 ZINC000182623503 323306572 /nfs/dbraw/zinc/30/65/72/323306572.db2.gz MIRFYZXBKWEXSQ-HNNXBMFYSA-N 2 2 305.447 3.016 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCCNc3ccccc32)[nH+]c2ccccn12 ZINC000186405195 323404602 /nfs/dbraw/zinc/40/46/02/323404602.db2.gz VNUXAEQFFOGEMG-GOSISDBHSA-N 2 2 306.413 3.413 20 0 DGADLP c1cn(Cc2ccccc2)c(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000581072282 324070697 /nfs/dbraw/zinc/07/06/97/324070697.db2.gz WCWIWYYZGBIMQZ-OALUTQOASA-N 2 2 324.472 3.038 20 0 DGADLP CC(C)C(C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(C)C ZINC000581145605 324080531 /nfs/dbraw/zinc/08/05/31/324080531.db2.gz GYJBIZUFBXTNLF-OALUTQOASA-N 2 2 318.505 3.140 20 0 DGADLP CC(C)C(C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(C)C ZINC000581145605 324080538 /nfs/dbraw/zinc/08/05/38/324080538.db2.gz GYJBIZUFBXTNLF-OALUTQOASA-N 2 2 318.505 3.140 20 0 DGADLP Cc1[nH]c(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[nH+]c1C ZINC000583215184 324327541 /nfs/dbraw/zinc/32/75/41/324327541.db2.gz NPXJBPFXGPSHLN-HNNXBMFYSA-N 2 2 300.450 3.246 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000583361864 324343965 /nfs/dbraw/zinc/34/39/65/324343965.db2.gz KYELKRNCHQDAPN-IKGGRYGDSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000583361864 324343968 /nfs/dbraw/zinc/34/39/68/324343968.db2.gz KYELKRNCHQDAPN-IKGGRYGDSA-N 2 2 316.493 3.053 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)n1C ZINC000583641930 324380034 /nfs/dbraw/zinc/38/00/34/324380034.db2.gz ITEKTQXDOGTADP-UHFFFAOYSA-N 2 2 301.409 3.469 20 0 DGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000583665578 324382073 /nfs/dbraw/zinc/38/20/73/324382073.db2.gz DWOJBAALKDKGQJ-OAQYLSRUSA-N 2 2 324.468 3.303 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000584267076 332176870 /nfs/dbraw/zinc/17/68/70/332176870.db2.gz SYTUNFXXJRUOTD-HNNXBMFYSA-N 2 2 319.449 3.078 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000584588094 337370075 /nfs/dbraw/zinc/37/00/75/337370075.db2.gz PNHBTHVOZCIHEM-KRWDZBQOSA-N 2 2 304.821 3.299 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)sc1Br ZINC000415040442 533720416 /nfs/dbraw/zinc/72/04/16/533720416.db2.gz OIJCOYFXNGUVDW-SNVBAGLBSA-N 2 2 303.269 3.049 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc(N2CCCC2)n1 ZINC000423119507 533736488 /nfs/dbraw/zinc/73/64/88/533736488.db2.gz CRICNEFEAVHGJS-OALUTQOASA-N 2 2 322.456 3.225 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1F ZINC000414841186 533786353 /nfs/dbraw/zinc/78/63/53/533786353.db2.gz XZUVCTSCCDOQCB-KSSFIOAISA-N 2 2 316.420 3.303 20 0 DGADLP COc1cccc2c(N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc[nH+]c12 ZINC000292758749 533843271 /nfs/dbraw/zinc/84/32/71/533843271.db2.gz KDCZEFNCXNQQEQ-IBGZPJMESA-N 2 2 311.429 3.166 20 0 DGADLP COc1cccc2c(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc[nH+]c12 ZINC000292758749 533843279 /nfs/dbraw/zinc/84/32/79/533843279.db2.gz KDCZEFNCXNQQEQ-IBGZPJMESA-N 2 2 311.429 3.166 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000132425495 533895069 /nfs/dbraw/zinc/89/50/69/533895069.db2.gz GVGDAMYGOPYQFW-GWCFXTLKSA-N 2 2 318.795 3.371 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000132425495 533895081 /nfs/dbraw/zinc/89/50/81/533895081.db2.gz GVGDAMYGOPYQFW-GWCFXTLKSA-N 2 2 318.795 3.371 20 0 DGADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)oc1C ZINC000432779611 533924899 /nfs/dbraw/zinc/92/48/99/533924899.db2.gz DSQKVZOBJPQGFD-LLVKDONJSA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC(c3c[nH+]c[nH]3)CC2)oc1C ZINC000432779611 533924907 /nfs/dbraw/zinc/92/49/07/533924907.db2.gz DSQKVZOBJPQGFD-LLVKDONJSA-N 2 2 317.389 3.038 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(CO)c1 ZINC000305666055 533927692 /nfs/dbraw/zinc/92/76/92/533927692.db2.gz ULANFHHOVMIJQF-INIZCTEOSA-N 2 2 321.424 3.275 20 0 DGADLP C[C@H](CC[NH2+]Cc1cc(F)ncc1F)[N@H+](C)Cc1ccccc1 ZINC000295655338 533941221 /nfs/dbraw/zinc/94/12/21/533941221.db2.gz IZRNQPLDYQRCQP-CQSZACIVSA-N 2 2 319.399 3.360 20 0 DGADLP C[C@H](CC[NH2+]Cc1cc(F)ncc1F)[N@@H+](C)Cc1ccccc1 ZINC000295655338 533941232 /nfs/dbraw/zinc/94/12/32/533941232.db2.gz IZRNQPLDYQRCQP-CQSZACIVSA-N 2 2 319.399 3.360 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000107350459 517579676 /nfs/dbraw/zinc/57/96/76/517579676.db2.gz GBLYETOMLTUETH-INIZCTEOSA-N 2 2 320.481 3.366 20 0 DGADLP c1ccc(C2CCC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422813402 534482515 /nfs/dbraw/zinc/48/25/15/534482515.db2.gz YCNXDOSHERBKND-HFPIOELMSA-N 2 2 314.473 3.069 20 0 DGADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2Nc1ccc2c(c1)CC[NH2+]2 ZINC000423221509 534502391 /nfs/dbraw/zinc/50/23/91/534502391.db2.gz WWFHYCUYEWPKQE-UYAOXDASSA-N 2 2 321.424 3.322 20 0 DGADLP Clc1cccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431142399 534645525 /nfs/dbraw/zinc/64/55/25/534645525.db2.gz FJCWJUWBCXXWGV-QGZVFWFLSA-N 2 2 318.804 3.267 20 0 DGADLP Clc1cccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431142399 534645535 /nfs/dbraw/zinc/64/55/35/534645535.db2.gz FJCWJUWBCXXWGV-QGZVFWFLSA-N 2 2 318.804 3.267 20 0 DGADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1cnn(C)c1 ZINC000155843491 522831040 /nfs/dbraw/zinc/83/10/40/522831040.db2.gz WIQHNVOAZJNDLN-MRXNPFEDSA-N 2 2 311.433 3.209 20 0 DGADLP Cc1cccc2[nH+]c(CCc3nc([C@H]([NH3+])CC(C)C)no3)[nH]c21 ZINC000339395564 524976369 /nfs/dbraw/zinc/97/63/69/524976369.db2.gz TYZDETPRWRSUGQ-GFCCVEGCSA-N 2 2 313.405 3.085 20 0 DGADLP Cc1cccc2[nH]c(CCc3nc([C@H]([NH3+])CC(C)C)no3)[nH+]c21 ZINC000339395564 524976381 /nfs/dbraw/zinc/97/63/81/524976381.db2.gz TYZDETPRWRSUGQ-GFCCVEGCSA-N 2 2 313.405 3.085 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000158268570 525443734 /nfs/dbraw/zinc/44/37/34/525443734.db2.gz UNZBDBFIBLCUJK-ZYHUDNBSSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2Br)CC[N@H+]1C ZINC000158268570 525443739 /nfs/dbraw/zinc/44/37/39/525443739.db2.gz UNZBDBFIBLCUJK-ZYHUDNBSSA-N 2 2 315.230 3.161 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000152757916 525575657 /nfs/dbraw/zinc/57/56/57/525575657.db2.gz VOEJFBYRCXNQCL-SFHVURJKSA-N 2 2 311.429 3.048 20 0 DGADLP Fc1ccc(OCCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309217 526355544 /nfs/dbraw/zinc/35/55/44/526355544.db2.gz UDGLLDMDHWFXQK-GOSISDBHSA-N 2 2 316.376 3.143 20 0 DGADLP Fc1ccc(OCCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309217 526355553 /nfs/dbraw/zinc/35/55/53/526355553.db2.gz UDGLLDMDHWFXQK-GOSISDBHSA-N 2 2 316.376 3.143 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000430594459 527258909 /nfs/dbraw/zinc/25/89/09/527258909.db2.gz VWCLNFBGFNBZGB-CYBMUJFWSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000430594459 527258916 /nfs/dbraw/zinc/25/89/16/527258916.db2.gz VWCLNFBGFNBZGB-CYBMUJFWSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000430594462 527259423 /nfs/dbraw/zinc/25/94/23/527259423.db2.gz VWCLNFBGFNBZGB-ZDUSSCGKSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000430594462 527259428 /nfs/dbraw/zinc/25/94/28/527259428.db2.gz VWCLNFBGFNBZGB-ZDUSSCGKSA-N 2 2 320.824 3.254 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000302560429 527852039 /nfs/dbraw/zinc/85/20/39/527852039.db2.gz UALACQOPRHGZSF-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000302560429 527852044 /nfs/dbraw/zinc/85/20/44/527852044.db2.gz UALACQOPRHGZSF-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000430562214 527943177 /nfs/dbraw/zinc/94/31/77/527943177.db2.gz PZTKNPDPQOPAIM-KRWDZBQOSA-N 2 2 303.475 3.197 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)n2)cc1 ZINC000430969999 528053369 /nfs/dbraw/zinc/05/33/69/528053369.db2.gz FQMDQLPEBKPQOO-CZUORRHYSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)n2)cc1 ZINC000430969999 528053378 /nfs/dbraw/zinc/05/33/78/528053378.db2.gz FQMDQLPEBKPQOO-CZUORRHYSA-N 2 2 314.433 3.029 20 0 DGADLP CCC[N@H+](Cc1csc(-c2ccoc2)n1)C1CC[NH2+]CC1 ZINC000431088242 528151461 /nfs/dbraw/zinc/15/14/61/528151461.db2.gz XPFYYGZEBOBMNM-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCC[N@@H+](Cc1csc(-c2ccoc2)n1)C1CC[NH2+]CC1 ZINC000431088242 528151463 /nfs/dbraw/zinc/15/14/63/528151463.db2.gz XPFYYGZEBOBMNM-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430584502 528198721 /nfs/dbraw/zinc/19/87/21/528198721.db2.gz ZKKFJXHFQHKYGG-OWCLPIDISA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430584502 528198728 /nfs/dbraw/zinc/19/87/28/528198728.db2.gz ZKKFJXHFQHKYGG-OWCLPIDISA-N 2 2 317.477 3.196 20 0 DGADLP CC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429728637 528251288 /nfs/dbraw/zinc/25/12/88/528251288.db2.gz ZOCZFMKZYISBNX-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP CC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429728637 528251292 /nfs/dbraw/zinc/25/12/92/528251292.db2.gz ZOCZFMKZYISBNX-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079109 528266027 /nfs/dbraw/zinc/26/60/27/528266027.db2.gz AWWMQTHUHBVZRS-KGLIPLIRSA-N 2 2 304.482 3.214 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079109 528266030 /nfs/dbraw/zinc/26/60/30/528266030.db2.gz AWWMQTHUHBVZRS-KGLIPLIRSA-N 2 2 304.482 3.214 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000423308010 528515818 /nfs/dbraw/zinc/51/58/18/528515818.db2.gz INWVFOWHRWGADH-GFCCVEGCSA-N 2 2 304.463 3.164 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000415082522 528587283 /nfs/dbraw/zinc/58/72/83/528587283.db2.gz OMXZQPOZKGZSLY-QGZVFWFLSA-N 2 2 306.450 3.133 20 0 DGADLP CC[N@H+](Cc1coc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435625980 528881212 /nfs/dbraw/zinc/88/12/12/528881212.db2.gz JHNHFPCCZSRCOV-CQSZACIVSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1coc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435625980 528881216 /nfs/dbraw/zinc/88/12/16/528881216.db2.gz JHNHFPCCZSRCOV-CQSZACIVSA-N 2 2 305.447 3.367 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000430573507 529047033 /nfs/dbraw/zinc/04/70/33/529047033.db2.gz RJVHYFMGUHZHBN-NWDGAFQWSA-N 2 2 308.451 3.164 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000430573507 529047037 /nfs/dbraw/zinc/04/70/37/529047037.db2.gz RJVHYFMGUHZHBN-NWDGAFQWSA-N 2 2 308.451 3.164 20 0 DGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000323586576 529066520 /nfs/dbraw/zinc/06/65/20/529066520.db2.gz BIIFOGTVWQIWCR-LJQANCHMSA-N 2 2 318.461 3.178 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1Br ZINC000414804873 529067712 /nfs/dbraw/zinc/06/77/12/529067712.db2.gz XYZIVXCHBGWAQG-GFCCVEGCSA-N 2 2 305.647 3.175 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000423273648 529070025 /nfs/dbraw/zinc/07/00/25/529070025.db2.gz KUQFQSKSLPTOOW-NOZJJQNGSA-N 2 2 303.219 3.222 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000430801137 529087630 /nfs/dbraw/zinc/08/76/30/529087630.db2.gz XLJPYDLUYPZCBN-UHFFFAOYSA-N 2 2 300.406 3.026 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(CO)CCC1 ZINC000292859351 529123503 /nfs/dbraw/zinc/12/35/03/529123503.db2.gz VDDGMDKWPVRMKD-SFHVURJKSA-N 2 2 313.445 3.149 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C/C=C/c1ccncc1)C2 ZINC000486981925 535138001 /nfs/dbraw/zinc/13/80/01/535138001.db2.gz ACWUSGXUOQYSQK-APHBUQMISA-N 2 2 310.445 3.193 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000495108085 535240058 /nfs/dbraw/zinc/24/00/58/535240058.db2.gz KYQBAKHMOVWXDO-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000495108085 535240062 /nfs/dbraw/zinc/24/00/62/535240062.db2.gz KYQBAKHMOVWXDO-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000495108085 535240065 /nfs/dbraw/zinc/24/00/65/535240065.db2.gz KYQBAKHMOVWXDO-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000495108085 535240068 /nfs/dbraw/zinc/24/00/68/535240068.db2.gz KYQBAKHMOVWXDO-IEBWSBKVSA-N 2 2 302.462 3.247 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449637764 536008326 /nfs/dbraw/zinc/00/83/26/536008326.db2.gz HTCNUDDDKMFESC-ROUUACIJSA-N 2 2 324.896 3.444 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1F ZINC000470319816 536521812 /nfs/dbraw/zinc/52/18/12/536521812.db2.gz VICYAQNMJVBCLN-GRDNDAEWSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1F ZINC000470319816 536521819 /nfs/dbraw/zinc/52/18/19/536521819.db2.gz VICYAQNMJVBCLN-GRDNDAEWSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335460 545834056 /nfs/dbraw/zinc/83/40/56/545834056.db2.gz JJMNIDOUORQVGZ-HKUYNNGSSA-N 2 2 302.462 3.466 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335460 545834060 /nfs/dbraw/zinc/83/40/60/545834060.db2.gz JJMNIDOUORQVGZ-HKUYNNGSSA-N 2 2 302.462 3.466 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335457 545834990 /nfs/dbraw/zinc/83/49/90/545834990.db2.gz JJMNIDOUORQVGZ-MJGOQNOKSA-N 2 2 302.462 3.466 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335457 545834994 /nfs/dbraw/zinc/83/49/94/545834994.db2.gz JJMNIDOUORQVGZ-MJGOQNOKSA-N 2 2 302.462 3.466 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC[NH+]2CCC(OC)CC2)C(C)C)cc1 ZINC000091368252 545836853 /nfs/dbraw/zinc/83/68/53/545836853.db2.gz HMMKZEXWFDKAHR-IBGZPJMESA-N 2 2 320.477 3.093 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000120884261 545890527 /nfs/dbraw/zinc/89/05/27/545890527.db2.gz SPJJPHWLDYKRCH-PXNSSMCTSA-N 3 2 315.505 3.143 20 0 DGADLP Fc1c(Cl)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000120858898 545891400 /nfs/dbraw/zinc/89/14/00/545891400.db2.gz MNILKUHPRWIGLU-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000131512992 545957222 /nfs/dbraw/zinc/95/72/22/545957222.db2.gz AJEGVOFZBJWAKM-KRWDZBQOSA-N 2 2 322.836 3.002 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cccnc2OC2CCCC2)CC1 ZINC000153872260 546012800 /nfs/dbraw/zinc/01/28/00/546012800.db2.gz VQQOBRULYLZLSF-UHFFFAOYSA-N 2 2 317.477 3.367 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)noc1-c1ccccc1 ZINC000154756879 546020633 /nfs/dbraw/zinc/02/06/33/546020633.db2.gz GNYCBDDHJLGYCL-UHFFFAOYSA-N 2 2 311.429 3.306 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157717973 546042144 /nfs/dbraw/zinc/04/21/44/546042144.db2.gz UCAINBPOGUAZQZ-KXBFYZLASA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157717973 546042148 /nfs/dbraw/zinc/04/21/48/546042148.db2.gz UCAINBPOGUAZQZ-KXBFYZLASA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000157717973 546042154 /nfs/dbraw/zinc/04/21/54/546042154.db2.gz UCAINBPOGUAZQZ-KXBFYZLASA-N 2 2 324.472 3.316 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000163711409 546084256 /nfs/dbraw/zinc/08/42/56/546084256.db2.gz KHTWACZKNGYPSS-BEFAXECRSA-N 2 2 302.462 3.325 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000163737013 546084617 /nfs/dbraw/zinc/08/46/17/546084617.db2.gz CWQWOADZLUIINZ-HXUWFJFHSA-N 2 2 316.489 3.017 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000179961316 546140310 /nfs/dbraw/zinc/14/03/10/546140310.db2.gz WVESWIQYIKJZKP-IUODEOHRSA-N 2 2 304.463 3.267 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000180150385 546142790 /nfs/dbraw/zinc/14/27/90/546142790.db2.gz DJYQRVAGPGYMPY-OAHLLOKOSA-N 2 2 312.461 3.342 20 0 DGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245846716 546299678 /nfs/dbraw/zinc/29/96/78/546299678.db2.gz LITKKHRVIGGIIR-SJORKVTESA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245846716 546299682 /nfs/dbraw/zinc/29/96/82/546299682.db2.gz LITKKHRVIGGIIR-SJORKVTESA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245846716 546299685 /nfs/dbraw/zinc/29/96/85/546299685.db2.gz LITKKHRVIGGIIR-SJORKVTESA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245846716 546299687 /nfs/dbraw/zinc/29/96/87/546299687.db2.gz LITKKHRVIGGIIR-SJORKVTESA-N 2 2 318.509 3.069 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)cs2)CC[C@H]1[NH3+] ZINC000251597174 546330043 /nfs/dbraw/zinc/33/00/43/546330043.db2.gz CXPDIHCJDYQOQN-BXKDBHETSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)cs2)CC[C@H]1[NH3+] ZINC000251597174 546330048 /nfs/dbraw/zinc/33/00/48/546330048.db2.gz CXPDIHCJDYQOQN-BXKDBHETSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@H+](Cc2nc(-c3cccs3)oc2C)CC[C@H]1[NH3+] ZINC000251832771 546331083 /nfs/dbraw/zinc/33/10/83/546331083.db2.gz QCEYVHQMAYZCCJ-QWHCGFSZSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3cccs3)oc2C)CC[C@H]1[NH3+] ZINC000251832771 546331086 /nfs/dbraw/zinc/33/10/86/546331086.db2.gz QCEYVHQMAYZCCJ-QWHCGFSZSA-N 2 2 305.447 3.271 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccnn1-c1ccccc1 ZINC000281342170 546385895 /nfs/dbraw/zinc/38/58/95/546385895.db2.gz UQPYBARJLIAZSW-HNNXBMFYSA-N 2 2 310.445 3.150 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc[nH+]1 ZINC000309921686 546451702 /nfs/dbraw/zinc/45/17/02/546451702.db2.gz RCFUEEGXWXQJGI-FGTMMUONSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc[nH+]1 ZINC000309921686 546451704 /nfs/dbraw/zinc/45/17/04/546451704.db2.gz RCFUEEGXWXQJGI-FGTMMUONSA-N 2 2 308.429 3.108 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000309949218 546451993 /nfs/dbraw/zinc/45/19/93/546451993.db2.gz MEJOUPFAEHAHCX-CRAIPNDOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCSCC2)C[N@H+]1Cc1ccccc1 ZINC000309949218 546451998 /nfs/dbraw/zinc/45/19/98/546451998.db2.gz MEJOUPFAEHAHCX-CRAIPNDOSA-N 2 2 304.503 3.382 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000318746265 546463066 /nfs/dbraw/zinc/46/30/66/546463066.db2.gz YJFOONXNVNQQDG-GUDVDZBRSA-N 2 2 302.462 3.371 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000319762843 546465123 /nfs/dbraw/zinc/46/51/23/546465123.db2.gz DRICOTXREYKMQZ-XLIONFOSSA-N 3 2 317.521 3.389 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319672398 546465148 /nfs/dbraw/zinc/46/51/48/546465148.db2.gz HLTPDNDEVMXWPF-USYVTKNRSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319672398 546465151 /nfs/dbraw/zinc/46/51/51/546465151.db2.gz HLTPDNDEVMXWPF-USYVTKNRSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319672398 546465154 /nfs/dbraw/zinc/46/51/54/546465154.db2.gz HLTPDNDEVMXWPF-USYVTKNRSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319672398 546465157 /nfs/dbraw/zinc/46/51/57/546465157.db2.gz HLTPDNDEVMXWPF-USYVTKNRSA-N 2 2 322.537 3.370 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000319655146 546465620 /nfs/dbraw/zinc/46/56/20/546465620.db2.gz OXGZIGLGJRWLSK-WFASDCNBSA-N 2 2 316.342 3.405 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C2 ZINC000319655146 546465622 /nfs/dbraw/zinc/46/56/22/546465622.db2.gz OXGZIGLGJRWLSK-WFASDCNBSA-N 2 2 316.342 3.405 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@H]3C3CC3)[nH+]c2)CC1 ZINC000348383104 546589154 /nfs/dbraw/zinc/58/91/54/546589154.db2.gz IPDLAQRBYUDLEM-ZWKOTPCHSA-N 2 2 314.477 3.213 20 0 DGADLP CC[NH+](CC)C[C@H](C)Nc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357181858 546698649 /nfs/dbraw/zinc/69/86/49/546698649.db2.gz DLSHPAWXMUWIKC-ZDUSSCGKSA-N 2 2 319.424 3.084 20 0 DGADLP CCCn1nccc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379641515 546734699 /nfs/dbraw/zinc/73/46/99/546734699.db2.gz YIQVEJXAEQQVFB-QGZVFWFLSA-N 2 2 314.477 3.293 20 0 DGADLP CCCn1nccc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379641515 546734704 /nfs/dbraw/zinc/73/47/04/546734704.db2.gz YIQVEJXAEQQVFB-QGZVFWFLSA-N 2 2 314.477 3.293 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414933364 546791092 /nfs/dbraw/zinc/79/10/92/546791092.db2.gz WUJIZJFJCJFTJY-NVXWUHKLSA-N 3 2 321.896 3.164 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1C ZINC000419702391 546805191 /nfs/dbraw/zinc/80/51/91/546805191.db2.gz BKLVCRAVISTYGD-GDBMZVCRSA-N 2 2 316.424 3.051 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479957725 546909506 /nfs/dbraw/zinc/90/95/06/546909506.db2.gz PIXFDOGGZPLFSX-CALCHBBNSA-N 2 2 319.468 3.103 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479957725 546909509 /nfs/dbraw/zinc/90/95/09/546909509.db2.gz PIXFDOGGZPLFSX-CALCHBBNSA-N 2 2 319.468 3.103 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000494925901 546936439 /nfs/dbraw/zinc/93/64/39/546936439.db2.gz VPJDQTWFIWBRGT-OCCSQVGLSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000494925901 546936443 /nfs/dbraw/zinc/93/64/43/546936443.db2.gz VPJDQTWFIWBRGT-OCCSQVGLSA-N 2 2 302.447 3.300 20 0 DGADLP Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667554839 547224185 /nfs/dbraw/zinc/22/41/85/547224185.db2.gz GPGNIAOZMASRHD-LJQANCHMSA-N 2 2 320.396 3.310 20 0 DGADLP Oc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667554839 547224191 /nfs/dbraw/zinc/22/41/91/547224191.db2.gz GPGNIAOZMASRHD-LJQANCHMSA-N 2 2 320.396 3.310 20 0 DGADLP Fc1ccc(OC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667564769 547229399 /nfs/dbraw/zinc/22/93/99/547229399.db2.gz ZLWSXRUNILTHSS-UHFFFAOYSA-N 2 2 315.392 3.012 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)n1C ZINC000667657242 547260997 /nfs/dbraw/zinc/26/09/97/547260997.db2.gz DPJFDKQODBWSQF-DYVFJYSZSA-N 2 2 301.459 3.407 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)n1C ZINC000667657242 547261001 /nfs/dbraw/zinc/26/10/01/547261001.db2.gz DPJFDKQODBWSQF-DYVFJYSZSA-N 2 2 301.459 3.407 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664241 547265235 /nfs/dbraw/zinc/26/52/35/547265235.db2.gz GOFKVKHHPYBWGA-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664241 547265237 /nfs/dbraw/zinc/26/52/37/547265237.db2.gz GOFKVKHHPYBWGA-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664241 547265239 /nfs/dbraw/zinc/26/52/39/547265239.db2.gz GOFKVKHHPYBWGA-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664241 547265241 /nfs/dbraw/zinc/26/52/41/547265241.db2.gz GOFKVKHHPYBWGA-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668346 547267540 /nfs/dbraw/zinc/26/75/40/547267540.db2.gz KLAAETJFZWTBOR-IAGOWNOFSA-N 2 2 305.466 3.288 20 0 DGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668346 547267543 /nfs/dbraw/zinc/26/75/43/547267543.db2.gz KLAAETJFZWTBOR-IAGOWNOFSA-N 2 2 305.466 3.288 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705581 547281521 /nfs/dbraw/zinc/28/15/21/547281521.db2.gz GXZFBFLIOQSVQI-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705581 547281524 /nfs/dbraw/zinc/28/15/24/547281524.db2.gz GXZFBFLIOQSVQI-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705581 547281528 /nfs/dbraw/zinc/28/15/28/547281528.db2.gz GXZFBFLIOQSVQI-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705581 547281532 /nfs/dbraw/zinc/28/15/32/547281532.db2.gz GXZFBFLIOQSVQI-YOEHRIQHSA-N 2 2 318.436 3.283 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000667821521 547312217 /nfs/dbraw/zinc/31/22/17/547312217.db2.gz GNXYYAJIHSNNDE-SLFFLAALSA-N 2 2 314.473 3.289 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000667947338 547343319 /nfs/dbraw/zinc/34/33/19/547343319.db2.gz NFCBYQJBWFOBQD-APWZRJJASA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000667947338 547343323 /nfs/dbraw/zinc/34/33/23/547343323.db2.gz NFCBYQJBWFOBQD-APWZRJJASA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C)c1 ZINC000667947338 547343328 /nfs/dbraw/zinc/34/33/28/547343328.db2.gz NFCBYQJBWFOBQD-APWZRJJASA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1 ZINC000667947338 547343330 /nfs/dbraw/zinc/34/33/30/547343330.db2.gz NFCBYQJBWFOBQD-APWZRJJASA-N 2 2 302.462 3.310 20 0 DGADLP CC1(C)C[N@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1C(F)(F)F ZINC000668053307 547370662 /nfs/dbraw/zinc/37/06/62/547370662.db2.gz QKFNEVSZSLLEGS-LBPRGKRZSA-N 2 2 301.356 3.240 20 0 DGADLP CC1(C)C[N@@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1C(F)(F)F ZINC000668053307 547370670 /nfs/dbraw/zinc/37/06/70/547370670.db2.gz QKFNEVSZSLLEGS-LBPRGKRZSA-N 2 2 301.356 3.240 20 0 DGADLP Cc1[nH+]cc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)n1C ZINC000668061648 547372993 /nfs/dbraw/zinc/37/29/93/547372993.db2.gz MKUYPJIAWXDWAR-UHFFFAOYSA-N 2 2 317.408 3.049 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)n1C ZINC000668061648 547372997 /nfs/dbraw/zinc/37/29/97/547372997.db2.gz MKUYPJIAWXDWAR-UHFFFAOYSA-N 2 2 317.408 3.049 20 0 DGADLP Cc1cccc(CN(CC[NH+](C)C)Cc2[nH+]ccn2C(C)C)c1 ZINC000668160661 547398175 /nfs/dbraw/zinc/39/81/75/547398175.db2.gz AIRZTLIEZVJJPL-UHFFFAOYSA-N 2 2 314.477 3.336 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173596 547403096 /nfs/dbraw/zinc/40/30/96/547403096.db2.gz MKVJXWNLJQHCOV-ZWKOTPCHSA-N 2 2 313.445 3.406 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173596 547403097 /nfs/dbraw/zinc/40/30/97/547403097.db2.gz MKVJXWNLJQHCOV-ZWKOTPCHSA-N 2 2 313.445 3.406 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)n1C ZINC000668227006 547422897 /nfs/dbraw/zinc/42/28/97/547422897.db2.gz YXXLLYZABZQEPE-UHFFFAOYSA-N 2 2 319.399 3.461 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000668430905 547454019 /nfs/dbraw/zinc/45/40/19/547454019.db2.gz RBBJBCWPMOMLFK-KRWDZBQOSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000668430905 547454023 /nfs/dbraw/zinc/45/40/23/547454023.db2.gz RBBJBCWPMOMLFK-KRWDZBQOSA-N 2 2 302.462 3.017 20 0 DGADLP c1ccc(N2CCC(Nc3c[nH+]cc4c3CCCC4)CC2)[nH+]c1 ZINC000668440452 547455699 /nfs/dbraw/zinc/45/56/99/547455699.db2.gz NDRDJTMDGXVBJM-UHFFFAOYSA-N 2 2 308.429 3.436 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c[nH+]1 ZINC000668610401 547494033 /nfs/dbraw/zinc/49/40/33/547494033.db2.gz UXYVEZPTEODVDV-RBUKOAKNSA-N 2 2 312.461 3.057 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668618418 547494957 /nfs/dbraw/zinc/49/49/57/547494957.db2.gz QXOBHENJYPZXQQ-IRXDYDNUSA-N 2 2 304.478 3.423 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C\c2ccc(F)c(F)c2)CCO1 ZINC000668784727 547540100 /nfs/dbraw/zinc/54/01/00/547540100.db2.gz HUZGFXYFFFZRAB-OICCZTGUSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C\c2ccc(F)c(F)c2)CCO1 ZINC000668784727 547540102 /nfs/dbraw/zinc/54/01/02/547540102.db2.gz HUZGFXYFFFZRAB-OICCZTGUSA-N 2 2 324.415 3.021 20 0 DGADLP COCC1([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000668811549 547547325 /nfs/dbraw/zinc/54/73/25/547547325.db2.gz WGBVGMMVRUPYKR-UHFFFAOYSA-N 2 2 322.415 3.342 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000669615661 547662390 /nfs/dbraw/zinc/66/23/90/547662390.db2.gz AGUPJUJYCAJYIX-JEBQAFNWSA-N 2 2 300.446 3.145 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000669615661 547662394 /nfs/dbraw/zinc/66/23/94/547662394.db2.gz AGUPJUJYCAJYIX-JEBQAFNWSA-N 2 2 300.446 3.145 20 0 DGADLP C[C@H](CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000670268205 547741768 /nfs/dbraw/zinc/74/17/68/547741768.db2.gz OAGUYJYIFBBMDW-ZBFHGGJFSA-N 2 2 304.482 3.316 20 0 DGADLP C[C@@H](CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000670268203 547742452 /nfs/dbraw/zinc/74/24/52/547742452.db2.gz OAGUYJYIFBBMDW-GOEBONIOSA-N 2 2 304.482 3.316 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CSC3)C2)cc1 ZINC000670271965 547743420 /nfs/dbraw/zinc/74/34/20/547743420.db2.gz OZPOVRKVNIAQOB-VQTJNVASSA-N 2 2 324.493 3.360 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CSC3)C2)cc1 ZINC000670271965 547743425 /nfs/dbraw/zinc/74/34/25/547743425.db2.gz OZPOVRKVNIAQOB-VQTJNVASSA-N 2 2 324.493 3.360 20 0 DGADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986373 547767072 /nfs/dbraw/zinc/76/70/72/547767072.db2.gz CXQAJOHWHVOJCJ-JKSUJKDBSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986373 547767074 /nfs/dbraw/zinc/76/70/74/547767074.db2.gz CXQAJOHWHVOJCJ-JKSUJKDBSA-N 2 2 306.425 3.073 20 0 DGADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985599 547767919 /nfs/dbraw/zinc/76/79/19/547767919.db2.gz FFWRPCRXQIYUKE-PKOBYXMFSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985599 547767926 /nfs/dbraw/zinc/76/79/26/547767926.db2.gz FFWRPCRXQIYUKE-PKOBYXMFSA-N 2 2 302.462 3.243 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671296297 547784712 /nfs/dbraw/zinc/78/47/12/547784712.db2.gz VMKDHKKVAZPBIQ-IXMYUCAJSA-N 2 2 314.473 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671296297 547784715 /nfs/dbraw/zinc/78/47/15/547784715.db2.gz VMKDHKKVAZPBIQ-IXMYUCAJSA-N 2 2 314.473 3.261 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H]3C3CC3)CC2)cc1 ZINC000671680395 547808692 /nfs/dbraw/zinc/80/86/92/547808692.db2.gz ZVNPPNAWVOQCRA-HXUWFJFHSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H]3C3CC3)CC2)cc1 ZINC000671680395 547808695 /nfs/dbraw/zinc/80/86/95/547808695.db2.gz ZVNPPNAWVOQCRA-HXUWFJFHSA-N 2 2 313.489 3.073 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671746869 547824183 /nfs/dbraw/zinc/82/41/83/547824183.db2.gz QWAHTYXXMZBVIZ-CXAGYDPISA-N 2 2 308.416 3.360 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671746869 547824189 /nfs/dbraw/zinc/82/41/89/547824189.db2.gz QWAHTYXXMZBVIZ-CXAGYDPISA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671750154 547825700 /nfs/dbraw/zinc/82/57/00/547825700.db2.gz GHXJQRDFFXNGKW-GFCCVEGCSA-N 2 2 312.373 3.081 20 0 DGADLP C[C@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@H]1C[N@H+](C)CCO1 ZINC000672240345 547867578 /nfs/dbraw/zinc/86/75/78/547867578.db2.gz SLQRSQCDJZWHBH-XHDPSFHLSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000672240345 547867585 /nfs/dbraw/zinc/86/75/85/547867585.db2.gz SLQRSQCDJZWHBH-XHDPSFHLSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048117 548027277 /nfs/dbraw/zinc/02/72/77/548027277.db2.gz ZYWHIUHNAINXFU-UIFIKXQLSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048117 548027282 /nfs/dbraw/zinc/02/72/82/548027282.db2.gz ZYWHIUHNAINXFU-UIFIKXQLSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048117 548027286 /nfs/dbraw/zinc/02/72/86/548027286.db2.gz ZYWHIUHNAINXFU-UIFIKXQLSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048117 548027290 /nfs/dbraw/zinc/02/72/90/548027290.db2.gz ZYWHIUHNAINXFU-UIFIKXQLSA-N 2 2 324.468 3.172 20 0 DGADLP Clc1cccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000675292932 548184682 /nfs/dbraw/zinc/18/46/82/548184682.db2.gz OPSSGLFGUQFRQX-OAHLLOKOSA-N 2 2 305.809 3.252 20 0 DGADLP Clc1cccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000675292932 548184683 /nfs/dbraw/zinc/18/46/83/548184683.db2.gz OPSSGLFGUQFRQX-OAHLLOKOSA-N 2 2 305.809 3.252 20 0 DGADLP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000675495967 548225170 /nfs/dbraw/zinc/22/51/70/548225170.db2.gz OPZHYDXOXDKHMQ-OAHLLOKOSA-N 2 2 323.400 3.079 20 0 DGADLP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000675495967 548225174 /nfs/dbraw/zinc/22/51/74/548225174.db2.gz OPZHYDXOXDKHMQ-OAHLLOKOSA-N 2 2 323.400 3.079 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000675833560 548280297 /nfs/dbraw/zinc/28/02/97/548280297.db2.gz LYVPOHOYYYXIKL-VKJFTORMSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000675833560 548280302 /nfs/dbraw/zinc/28/03/02/548280302.db2.gz LYVPOHOYYYXIKL-VKJFTORMSA-N 2 2 302.462 3.261 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675834186 548280558 /nfs/dbraw/zinc/28/05/58/548280558.db2.gz RLACUJZGJWOXSX-RTBURBONSA-N 2 2 304.453 3.467 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834186 548280562 /nfs/dbraw/zinc/28/05/62/548280562.db2.gz RLACUJZGJWOXSX-RTBURBONSA-N 2 2 304.453 3.467 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCOC1 ZINC000677806793 548558597 /nfs/dbraw/zinc/55/85/97/548558597.db2.gz ODNKXGRHIMHITP-SZMVWBNQSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCOC1 ZINC000677806793 548558603 /nfs/dbraw/zinc/55/86/03/548558603.db2.gz ODNKXGRHIMHITP-SZMVWBNQSA-N 2 2 302.462 3.054 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCOCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806426 548558625 /nfs/dbraw/zinc/55/86/25/548558625.db2.gz ZZVYIPHVJOEGQY-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCOCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000677806426 548558629 /nfs/dbraw/zinc/55/86/29/548558629.db2.gz ZZVYIPHVJOEGQY-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000677889001 548574043 /nfs/dbraw/zinc/57/40/43/548574043.db2.gz RRFLZHJXKCLXFY-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000677889001 548574046 /nfs/dbraw/zinc/57/40/46/548574046.db2.gz RRFLZHJXKCLXFY-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP Cn1nc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2ccccc21 ZINC000678274808 548664605 /nfs/dbraw/zinc/66/46/05/548664605.db2.gz WUAGRZUCTRABMI-INIZCTEOSA-N 2 2 312.461 3.024 20 0 DGADLP Cn1nc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2ccccc21 ZINC000678274808 548664609 /nfs/dbraw/zinc/66/46/09/548664609.db2.gz WUAGRZUCTRABMI-INIZCTEOSA-N 2 2 312.461 3.024 20 0 DGADLP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602570 548737755 /nfs/dbraw/zinc/73/77/55/548737755.db2.gz CYKBPXMIOFOVKW-QZTJIDSGSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602570 548737762 /nfs/dbraw/zinc/73/77/62/548737762.db2.gz CYKBPXMIOFOVKW-QZTJIDSGSA-N 2 2 318.505 3.426 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000678730322 548753873 /nfs/dbraw/zinc/75/38/73/548753873.db2.gz UQPVESQSXSTREH-UHFFFAOYSA-N 2 2 318.505 3.443 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999530 548810089 /nfs/dbraw/zinc/81/00/89/548810089.db2.gz RWDCEFJVBVDXIG-BZSNNMDCSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999530 548810092 /nfs/dbraw/zinc/81/00/92/548810092.db2.gz RWDCEFJVBVDXIG-BZSNNMDCSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C(C)(C)O ZINC000679014886 548812698 /nfs/dbraw/zinc/81/26/98/548812698.db2.gz BRKNRIBKZXRVEL-ZDUSSCGKSA-N 2 2 310.869 3.053 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042732 548822596 /nfs/dbraw/zinc/82/25/96/548822596.db2.gz CVHBMJQJYZGGDB-HOJAQTOUSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042732 548822599 /nfs/dbraw/zinc/82/25/99/548822599.db2.gz CVHBMJQJYZGGDB-HOJAQTOUSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000679718305 548943964 /nfs/dbraw/zinc/94/39/64/548943964.db2.gz AORVBDDLYNSQTQ-JSGCOSHPSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000679718305 548943968 /nfs/dbraw/zinc/94/39/68/548943968.db2.gz AORVBDDLYNSQTQ-JSGCOSHPSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1 ZINC000679732276 548946390 /nfs/dbraw/zinc/94/63/90/548946390.db2.gz JTXBMGCOWRMTOP-CYBMUJFWSA-N 2 2 315.383 3.192 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000679838690 548955013 /nfs/dbraw/zinc/95/50/13/548955013.db2.gz FHMJDUGXCJJMRN-MRXNPFEDSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000679838690 548955016 /nfs/dbraw/zinc/95/50/16/548955016.db2.gz FHMJDUGXCJJMRN-MRXNPFEDSA-N 2 2 324.472 3.448 20 0 DGADLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccn(C)n1 ZINC000680464548 549054401 /nfs/dbraw/zinc/05/44/01/549054401.db2.gz DARDBTPEAVKKMM-AEFFLSMTSA-N 2 2 323.444 3.178 20 0 DGADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccn(C)n1 ZINC000680464550 549054544 /nfs/dbraw/zinc/05/45/44/549054544.db2.gz DARDBTPEAVKKMM-FUHWJXTLSA-N 2 2 323.444 3.178 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081748 549156778 /nfs/dbraw/zinc/15/67/78/549156778.db2.gz FNCGUIAVFPZSSO-YLJYHZDGSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081748 549156780 /nfs/dbraw/zinc/15/67/80/549156780.db2.gz FNCGUIAVFPZSSO-YLJYHZDGSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000681109067 549162195 /nfs/dbraw/zinc/16/21/95/549162195.db2.gz SHEJOHOSFMEQPE-YLJYHZDGSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000681109067 549162196 /nfs/dbraw/zinc/16/21/96/549162196.db2.gz SHEJOHOSFMEQPE-YLJYHZDGSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000681988939 549273274 /nfs/dbraw/zinc/27/32/74/549273274.db2.gz ZPCIEHYJSPVGNL-MRXNPFEDSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000681988939 549273277 /nfs/dbraw/zinc/27/32/77/549273277.db2.gz ZPCIEHYJSPVGNL-MRXNPFEDSA-N 2 2 310.445 3.194 20 0 DGADLP CC(C)Sc1cccc(Cl)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000684362668 549618416 /nfs/dbraw/zinc/61/84/16/549618416.db2.gz VNKHEEDTBOGDPA-CHWSQXEVSA-N 2 2 310.894 3.492 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000684367892 549620278 /nfs/dbraw/zinc/62/02/78/549620278.db2.gz XTCTZRSFBGJNMI-RBUKOAKNSA-N 2 2 313.445 3.226 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)C1)Cc1ccccc1 ZINC000684369261 549620864 /nfs/dbraw/zinc/62/08/64/549620864.db2.gz MISHJBPTEVLWMF-AABGKKOBSA-N 2 2 318.505 3.487 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000684387224 549626100 /nfs/dbraw/zinc/62/61/00/549626100.db2.gz CQCJLYRQWWJELB-KFKAGJAMSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2COc3cc(F)cc(F)c32)c[nH+]1 ZINC000684395666 549628176 /nfs/dbraw/zinc/62/81/76/549628176.db2.gz YNFALIUHTHSIOZ-OAHLLOKOSA-N 2 2 304.340 3.324 20 0 DGADLP C[C@H]1CCN(c2cc[nH+]c3c(O)cccc23)C[C@H]1n1cc[nH+]c1 ZINC000684576156 549663746 /nfs/dbraw/zinc/66/37/46/549663746.db2.gz LFKKQEJLKLWJOO-XJKSGUPXSA-N 2 2 308.385 3.224 20 0 DGADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccon2)c1 ZINC000684669601 549677167 /nfs/dbraw/zinc/67/71/67/549677167.db2.gz WYENIHQFYYXEPK-UHFFFAOYSA-N 2 2 316.792 3.227 20 0 DGADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccon2)c1 ZINC000684669601 549677170 /nfs/dbraw/zinc/67/71/70/549677170.db2.gz WYENIHQFYYXEPK-UHFFFAOYSA-N 2 2 316.792 3.227 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000684952975 549723896 /nfs/dbraw/zinc/72/38/96/549723896.db2.gz BKSXRWSFVLWWEL-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000684952975 549723899 /nfs/dbraw/zinc/72/38/99/549723899.db2.gz BKSXRWSFVLWWEL-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCc3cccnc32)c[nH+]1 ZINC000684953146 549724076 /nfs/dbraw/zinc/72/40/76/549724076.db2.gz AHAGNTOWRFCOIC-IBGZPJMESA-N 2 2 318.424 3.494 20 0 DGADLP CC(C)C[C@H](C)CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000685425602 549757716 /nfs/dbraw/zinc/75/77/16/549757716.db2.gz NMKZGQFLGYQTIO-RDJZCZTQSA-N 2 2 304.482 3.316 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000685472499 549767471 /nfs/dbraw/zinc/76/74/71/549767471.db2.gz RCEZDSHGTOMBEV-MRXNPFEDSA-N 2 2 318.848 3.342 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000732229156 574568855 /nfs/dbraw/zinc/56/88/55/574568855.db2.gz FDXZBRSDBSOWFT-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000732229156 574568856 /nfs/dbraw/zinc/56/88/56/574568856.db2.gz FDXZBRSDBSOWFT-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP c1csc(-c2ccn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000738158669 574860231 /nfs/dbraw/zinc/86/02/31/574860231.db2.gz OTCSGXMBHPZMSJ-AWEZNQCLSA-N 2 2 313.430 3.103 20 0 DGADLP c1csc(-c2ccn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000738158669 574860234 /nfs/dbraw/zinc/86/02/34/574860234.db2.gz OTCSGXMBHPZMSJ-AWEZNQCLSA-N 2 2 313.430 3.103 20 0 DGADLP C[C@H](C[NH2+]Cc1ccccc1-c1ccccc1)C[NH+]1CCOCC1 ZINC000738439889 574869902 /nfs/dbraw/zinc/86/99/02/574869902.db2.gz PYIGWYFATGIKIX-GOSISDBHSA-N 2 2 324.468 3.412 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)CCCC[NH+]3CCCC3)cc2[nH+]1 ZINC000729307552 575233434 /nfs/dbraw/zinc/23/34/34/575233434.db2.gz SAHUUYQTTSRLOW-UHFFFAOYSA-N 2 2 300.406 3.076 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746463180 575454254 /nfs/dbraw/zinc/45/42/54/575454254.db2.gz JUBAQYHVMSWPPO-ZDUSSCGKSA-N 2 2 321.465 3.386 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669510 575531539 /nfs/dbraw/zinc/53/15/39/575531539.db2.gz PTWHPTYMKSGKDN-RDTXWAMCSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669510 575531542 /nfs/dbraw/zinc/53/15/42/575531542.db2.gz PTWHPTYMKSGKDN-RDTXWAMCSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc21 ZINC000750032519 575699321 /nfs/dbraw/zinc/69/93/21/575699321.db2.gz BSRRAEDLPVYOMK-OAHLLOKOSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc21 ZINC000750032519 575699323 /nfs/dbraw/zinc/69/93/23/575699323.db2.gz BSRRAEDLPVYOMK-OAHLLOKOSA-N 2 2 304.397 3.387 20 0 DGADLP Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000750058041 575700656 /nfs/dbraw/zinc/70/06/56/575700656.db2.gz PZYILKDOGQPKCC-KRWDZBQOSA-N 2 2 308.360 3.353 20 0 DGADLP Fc1cccc([C@@H]2CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000750058041 575700658 /nfs/dbraw/zinc/70/06/58/575700658.db2.gz PZYILKDOGQPKCC-KRWDZBQOSA-N 2 2 308.360 3.353 20 0 DGADLP C[C@H](CCc1ccccc1)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000750837846 575754608 /nfs/dbraw/zinc/75/46/08/575754608.db2.gz DZJMMCLGKDMGGO-HZPDHXFCSA-N 2 2 317.502 3.117 20 0 DGADLP C[C@H](CCc1ccccc1)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000750837835 575755002 /nfs/dbraw/zinc/75/50/02/575755002.db2.gz DZJMMCLGKDMGGO-CVEARBPZSA-N 2 2 317.502 3.117 20 0 DGADLP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751482746 575786757 /nfs/dbraw/zinc/78/67/57/575786757.db2.gz KPKFAFLAVYBAPE-HNNXBMFYSA-N 2 2 320.481 3.064 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000726606852 576032271 /nfs/dbraw/zinc/03/22/71/576032271.db2.gz DGFAQODZGWAQGN-GQCSXXPBSA-N 2 2 302.462 3.179 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000726606852 576032272 /nfs/dbraw/zinc/03/22/72/576032272.db2.gz DGFAQODZGWAQGN-GQCSXXPBSA-N 2 2 302.462 3.179 20 0 DGADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000806131696 617666044 /nfs/dbraw/zinc/66/60/44/617666044.db2.gz LTTPHGJFPCDAHX-CQSZACIVSA-N 2 2 316.836 3.087 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)c2c(n1)CCCC2 ZINC000891875006 617917243 /nfs/dbraw/zinc/91/72/43/617917243.db2.gz BBPQGZRGJAUUHZ-UHFFFAOYSA-N 2 2 301.478 3.231 20 0 DGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc2c1OCO2 ZINC000926336972 617947290 /nfs/dbraw/zinc/94/72/90/617947290.db2.gz JPMOZPVVSFKQSP-NFOMZHRRSA-N 2 2 302.418 3.083 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133035 617970931 /nfs/dbraw/zinc/97/09/31/617970931.db2.gz FJGPMVMEOPKSQH-GOSISDBHSA-N 2 2 303.494 3.444 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133035 617970934 /nfs/dbraw/zinc/97/09/34/617970934.db2.gz FJGPMVMEOPKSQH-GOSISDBHSA-N 2 2 303.494 3.444 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133035 617970937 /nfs/dbraw/zinc/97/09/37/617970937.db2.gz FJGPMVMEOPKSQH-GOSISDBHSA-N 2 2 303.494 3.444 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133035 617970941 /nfs/dbraw/zinc/97/09/41/617970941.db2.gz FJGPMVMEOPKSQH-GOSISDBHSA-N 2 2 303.494 3.444 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235408 617991811 /nfs/dbraw/zinc/99/18/11/617991811.db2.gz MLUCPFTUNGHHDP-YOEHRIQHSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235408 617991813 /nfs/dbraw/zinc/99/18/13/617991813.db2.gz MLUCPFTUNGHHDP-YOEHRIQHSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000892235408 617991817 /nfs/dbraw/zinc/99/18/17/617991817.db2.gz MLUCPFTUNGHHDP-YOEHRIQHSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000892235408 617991821 /nfs/dbraw/zinc/99/18/21/617991821.db2.gz MLUCPFTUNGHHDP-YOEHRIQHSA-N 2 2 304.434 3.127 20 0 DGADLP FC(F)OC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926543319 618043988 /nfs/dbraw/zinc/04/39/88/618043988.db2.gz KQNOTSWZTVCPGK-PFSRBDOWSA-N 2 2 302.409 3.143 20 0 DGADLP FC(F)OC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926543319 618043989 /nfs/dbraw/zinc/04/39/89/618043989.db2.gz KQNOTSWZTVCPGK-PFSRBDOWSA-N 2 2 302.409 3.143 20 0 DGADLP CCc1nnc(C[NH2+]Cc2ccc(C[NH+](CC)CC)cc2)s1 ZINC000892459430 618071682 /nfs/dbraw/zinc/07/16/82/618071682.db2.gz BXKXABRHGOQLPT-UHFFFAOYSA-N 2 2 318.490 3.232 20 0 DGADLP CCc1onc(C)c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000892461702 618071822 /nfs/dbraw/zinc/07/18/22/618071822.db2.gz IPPRDNWNYUTRNF-UHFFFAOYSA-N 2 2 301.434 3.157 20 0 DGADLP CCc1onc(C)c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000892461702 618071823 /nfs/dbraw/zinc/07/18/23/618071823.db2.gz IPPRDNWNYUTRNF-UHFFFAOYSA-N 2 2 301.434 3.157 20 0 DGADLP CCc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924552796 618089368 /nfs/dbraw/zinc/08/93/68/618089368.db2.gz OEAAEOGOHNTXRB-LJQANCHMSA-N 2 2 306.413 3.220 20 0 DGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926719255 618095380 /nfs/dbraw/zinc/09/53/80/618095380.db2.gz RNUXQSJCDQAGGC-BDXSIMOUSA-N 2 2 306.494 3.044 20 0 DGADLP Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)nc(C2CCC2)[nH+]1 ZINC000892687187 618138947 /nfs/dbraw/zinc/13/89/47/618138947.db2.gz KLQFGKCONGFRCL-MRXNPFEDSA-N 2 2 314.477 3.365 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 ZINC000854222789 620785948 /nfs/dbraw/zinc/78/59/48/620785948.db2.gz MSVBYAAANWDNEK-CDHQVMDDSA-N 2 2 322.452 3.418 20 0 DGADLP Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)nc(C2CCC2)[nH+]1 ZINC000892763948 618303894 /nfs/dbraw/zinc/30/38/94/618303894.db2.gz RFMOXDRULIUNJL-MRXNPFEDSA-N 2 2 314.477 3.221 20 0 DGADLP Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc(C2CCC2)[nH+]1 ZINC000892763948 618303903 /nfs/dbraw/zinc/30/39/03/618303903.db2.gz RFMOXDRULIUNJL-MRXNPFEDSA-N 2 2 314.477 3.221 20 0 DGADLP Clc1nccc2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)sc21 ZINC000894496116 618358752 /nfs/dbraw/zinc/35/87/52/618358752.db2.gz WSDAQUNFWLHZFA-NSHDSACASA-N 2 2 318.833 3.251 20 0 DGADLP COc1ccc2[nH+]cc(Cl)c(N3CC[C@@H](C[NH+](C)C)C3)c2c1 ZINC000893118210 618432968 /nfs/dbraw/zinc/43/29/68/618432968.db2.gz BPPGPLPPKNMRSR-LBPRGKRZSA-N 2 2 319.836 3.285 20 0 DGADLP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccsc1 ZINC000925525469 618463817 /nfs/dbraw/zinc/46/38/17/618463817.db2.gz BFOZIWQARDKCGS-OKZBNKHCSA-N 2 2 321.534 3.109 20 0 DGADLP CCC1([NH+](C)C)CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000894930891 618499813 /nfs/dbraw/zinc/49/98/13/618499813.db2.gz ZFUREUADJJHFTR-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000925598908 618504457 /nfs/dbraw/zinc/50/44/57/618504457.db2.gz NGORGZXUSFHUNH-UGSOOPFHSA-N 2 2 315.486 3.243 20 0 DGADLP CO[C@@H](CC(C)C)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111195 618540108 /nfs/dbraw/zinc/54/01/08/618540108.db2.gz BJSWFQPUKRCWHC-ULQDDVLXSA-N 2 2 305.466 3.219 20 0 DGADLP CC[C@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895111803 618540558 /nfs/dbraw/zinc/54/05/58/618540558.db2.gz KKRBXYJXHHWKEG-QAETUUGQSA-N 2 2 303.450 3.116 20 0 DGADLP C[C@@]1(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCCS1 ZINC000895111820 618540584 /nfs/dbraw/zinc/54/05/84/618540584.db2.gz KZQKARZYSSYZBS-ZOBUZTSGSA-N 2 2 305.491 3.444 20 0 DGADLP C[C@@H](CSCCF)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114306 618541211 /nfs/dbraw/zinc/54/12/11/618541211.db2.gz LNRPVPYNQDZCGG-KKUMJFAQSA-N 2 2 311.470 3.249 20 0 DGADLP C[C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895114311 618541270 /nfs/dbraw/zinc/54/12/70/618541270.db2.gz LPAKZJZLNOJFAA-VGWMRTNUSA-N 2 2 305.491 3.442 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(C[C@H]2CC2(Cl)Cl)c2cccc[nH+]2)CC1 ZINC000895116873 618541760 /nfs/dbraw/zinc/54/17/60/618541760.db2.gz VXJVEROENUVEHA-JHJVBQTASA-N 2 2 314.260 3.352 20 0 DGADLP CO[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C12CCC2 ZINC000895132694 618546837 /nfs/dbraw/zinc/54/68/37/618546837.db2.gz YOUQLJWIGPITBO-LUKYLMHMSA-N 2 2 315.461 3.116 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000893412736 618551393 /nfs/dbraw/zinc/55/13/93/618551393.db2.gz PJOZBVVIGFZGJX-RDJZCZTQSA-N 2 2 314.429 3.288 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000893412736 618551395 /nfs/dbraw/zinc/55/13/95/618551395.db2.gz PJOZBVVIGFZGJX-RDJZCZTQSA-N 2 2 314.429 3.288 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCC2 ZINC000925792208 618620761 /nfs/dbraw/zinc/62/07/61/618620761.db2.gz AFEIZHATYXAKBV-HIFRSBDPSA-N 2 2 320.502 3.046 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925792376 618620818 /nfs/dbraw/zinc/62/08/18/618620818.db2.gz GLSVBIDQTSQZTC-XJKSGUPXSA-N 2 2 308.853 3.149 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCC2 ZINC000925792205 618620901 /nfs/dbraw/zinc/62/09/01/618620901.db2.gz AFEIZHATYXAKBV-DZGCQCFKSA-N 2 2 320.502 3.046 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925793318 618621093 /nfs/dbraw/zinc/62/10/93/618621093.db2.gz IDRFKMTVLLDOKC-WMZOPIPTSA-N 2 2 302.462 3.113 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094271 618708612 /nfs/dbraw/zinc/70/86/12/618708612.db2.gz KROHWKGUBHXTKD-CZUORRHYSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094271 618708613 /nfs/dbraw/zinc/70/86/13/618708613.db2.gz KROHWKGUBHXTKD-CZUORRHYSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000894094271 618708615 /nfs/dbraw/zinc/70/86/15/618708615.db2.gz KROHWKGUBHXTKD-CZUORRHYSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000894094271 618708616 /nfs/dbraw/zinc/70/86/16/618708616.db2.gz KROHWKGUBHXTKD-CZUORRHYSA-N 2 2 306.475 3.450 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3c[nH]cn3)cc2)C1 ZINC000894184360 618725608 /nfs/dbraw/zinc/72/56/08/618725608.db2.gz YCWUGSSMOSXBCR-HOTGVXAUSA-N 2 2 312.461 3.177 20 0 DGADLP CCC1([NH+]2CCC2)CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000895828009 618834502 /nfs/dbraw/zinc/83/45/02/618834502.db2.gz RHJCFZMBVAZQAG-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CCOc1cc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)ccc1O ZINC000895823687 618836527 /nfs/dbraw/zinc/83/65/27/618836527.db2.gz XXUWPUPUIZOBLS-UHFFFAOYSA-N 2 2 318.461 3.241 20 0 DGADLP Cn1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1C1CC1 ZINC000896034785 618864359 /nfs/dbraw/zinc/86/43/59/618864359.db2.gz GOAQZFZJYRQMJS-SFHVURJKSA-N 2 2 321.428 3.025 20 0 DGADLP Cc1ccncc1CCC[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896725247 618948780 /nfs/dbraw/zinc/94/87/80/618948780.db2.gz ZVZFLYAPEOBTHZ-LJQANCHMSA-N 2 2 312.461 3.000 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cn(C)cn1 ZINC000925138907 618990476 /nfs/dbraw/zinc/99/04/76/618990476.db2.gz YQYPCSBAECOVHI-JJRVBVJISA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cn(C)cn1 ZINC000925138907 618990478 /nfs/dbraw/zinc/99/04/78/618990478.db2.gz YQYPCSBAECOVHI-JJRVBVJISA-N 2 2 318.490 3.215 20 0 DGADLP Clc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCn3cc[nH+]c31)COC2 ZINC000925168975 619064488 /nfs/dbraw/zinc/06/44/88/619064488.db2.gz JASASMHCRUDWRF-SWLSCSKDSA-N 2 2 317.820 3.275 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178182 619067121 /nfs/dbraw/zinc/06/71/21/619067121.db2.gz HWPNYQUOQHHVHI-VQIMIIECSA-N 2 2 320.440 3.320 20 0 DGADLP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000897653610 619171244 /nfs/dbraw/zinc/17/12/44/619171244.db2.gz ULTKRAHGYGLNFI-OAHLLOKOSA-N 2 2 323.868 3.213 20 0 DGADLP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)ccc1Cl ZINC000897653610 619171247 /nfs/dbraw/zinc/17/12/47/619171247.db2.gz ULTKRAHGYGLNFI-OAHLLOKOSA-N 2 2 323.868 3.213 20 0 DGADLP CC1(C)CC2(CC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)CO1 ZINC000897973518 619196428 /nfs/dbraw/zinc/19/64/28/619196428.db2.gz TXRLHJBBSDURBR-UHFFFAOYSA-N 2 2 317.458 3.371 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000897955455 619198646 /nfs/dbraw/zinc/19/86/46/619198646.db2.gz UWYAGSSUXUKAOG-UIAACRFSSA-N 2 2 313.489 3.500 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924625716 619247658 /nfs/dbraw/zinc/24/76/58/619247658.db2.gz QWGUEYSZRJNXEZ-CYBMUJFWSA-N 2 2 310.401 3.387 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000926960833 619253008 /nfs/dbraw/zinc/25/30/08/619253008.db2.gz HJILKUUKDXLJDQ-SWLSCSKDSA-N 2 2 318.383 3.323 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704318 619260744 /nfs/dbraw/zinc/26/07/44/619260744.db2.gz DISAXJMBQCPAKC-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704318 619260747 /nfs/dbraw/zinc/26/07/47/619260747.db2.gz DISAXJMBQCPAKC-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nonc2C)c1 ZINC000924709678 619262343 /nfs/dbraw/zinc/26/23/43/619262343.db2.gz YWVLZWRYXHKPFQ-ZDUSSCGKSA-N 2 2 302.422 3.071 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Br)CC1 ZINC000924727495 619268329 /nfs/dbraw/zinc/26/83/29/619268329.db2.gz APXOIKFESRJJNC-RYUDHWBXSA-N 2 2 314.271 3.203 20 0 DGADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(OC)n1 ZINC000924730460 619269043 /nfs/dbraw/zinc/26/90/43/619269043.db2.gz PVHSFKGWSVFYSC-ZBFHGGJFSA-N 2 2 316.449 3.442 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138754 619288167 /nfs/dbraw/zinc/28/81/67/619288167.db2.gz GGOIXHHJLNLHNT-XUJVJEKNSA-N 2 2 308.853 3.408 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138754 619288169 /nfs/dbraw/zinc/28/81/69/619288169.db2.gz GGOIXHHJLNLHNT-XUJVJEKNSA-N 2 2 308.853 3.408 20 0 DGADLP FC(F)(F)Oc1ccc2c(NCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000899878184 619380533 /nfs/dbraw/zinc/38/05/33/619380533.db2.gz ZSHAKAQGADVSMR-UHFFFAOYSA-N 2 2 322.290 3.442 20 0 DGADLP C[C@H]1CC2(CC([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)C2)CO1 ZINC000924774444 619420971 /nfs/dbraw/zinc/42/09/71/619420971.db2.gz AAISVKXGPBJQJG-UQHVZDHRSA-N 2 2 315.392 3.059 20 0 DGADLP CCNc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000902076625 619583929 /nfs/dbraw/zinc/58/39/29/619583929.db2.gz OHMBCPNPLKOBMG-UHFFFAOYSA-N 2 2 321.428 3.297 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C(=O)OC)cc1 ZINC000902434166 619635436 /nfs/dbraw/zinc/63/54/36/619635436.db2.gz MHHZDCAIGPIBHQ-GUDVDZBRSA-N 2 2 324.424 3.139 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000902436137 619635734 /nfs/dbraw/zinc/63/57/34/619635734.db2.gz XKKQDSRMBRWUEJ-IXMYUCAJSA-N 2 2 307.441 3.322 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000902436138 619635898 /nfs/dbraw/zinc/63/58/98/619635898.db2.gz XKKQDSRMBRWUEJ-SJFSSXKUSA-N 2 2 307.441 3.322 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1[NH3+])CCC2 ZINC000902439971 619636814 /nfs/dbraw/zinc/63/68/14/619636814.db2.gz VYYFDAIWDWGVNO-FRFSOERESA-N 2 2 313.470 3.297 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(Br)c1 ZINC000902472700 619638077 /nfs/dbraw/zinc/63/80/77/619638077.db2.gz FSOYKPJZMXCPCH-APIJFGDWSA-N 2 2 309.251 3.383 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902478490 619639012 /nfs/dbraw/zinc/63/90/12/619639012.db2.gz XNMAEJBOHHDBEA-GHBALNIRSA-N 2 2 321.262 3.480 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cnn(CC2CCC2)c1 ZINC000902506629 619644619 /nfs/dbraw/zinc/64/46/19/619644619.db2.gz YZPYYDXGRPXCPI-BKTGTZMESA-N 2 2 310.445 3.479 20 0 DGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902485277 619645994 /nfs/dbraw/zinc/64/59/94/619645994.db2.gz ZEFSLLGDARHBEE-IPELMVKDSA-N 2 2 320.452 3.415 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCOCC1 ZINC000902742458 619668888 /nfs/dbraw/zinc/66/88/88/619668888.db2.gz QHTLOWIMIVLNAJ-GOSISDBHSA-N 2 2 319.493 3.193 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742345 619668916 /nfs/dbraw/zinc/66/89/16/619668916.db2.gz OEQXGUOICZMUCV-VXGBXAGGSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742345 619668919 /nfs/dbraw/zinc/66/89/19/619668919.db2.gz OEQXGUOICZMUCV-VXGBXAGGSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902817223 619681470 /nfs/dbraw/zinc/68/14/70/619681470.db2.gz XHGFLCZQFCDISW-OAHLLOKOSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902896548 619690082 /nfs/dbraw/zinc/69/00/82/619690082.db2.gz LBYTZLYUWAIKFN-INIZCTEOSA-N 2 2 321.424 3.258 20 0 DGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902963935 619698088 /nfs/dbraw/zinc/69/80/88/619698088.db2.gz LUHGARSGVSARET-JSNMRZPZSA-N 2 2 319.408 3.181 20 0 DGADLP C[C@H]([NH2+]CC1SCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903056913 619707364 /nfs/dbraw/zinc/70/73/64/619707364.db2.gz VHVBOJWOSZDVLQ-LBPRGKRZSA-N 2 2 305.472 3.329 20 0 DGADLP CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063624 619709038 /nfs/dbraw/zinc/70/90/38/619709038.db2.gz GSYSJMIZQMSPKM-RDJZCZTQSA-N 2 2 301.434 3.320 20 0 DGADLP c1cn(C[C@H]([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903093642 619719067 /nfs/dbraw/zinc/71/90/67/619719067.db2.gz KMZWARFSFFUWKR-AXGBLAMUSA-N 2 2 323.440 3.028 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000903165420 619728548 /nfs/dbraw/zinc/72/85/48/619728548.db2.gz KHSBXNDQGINBPB-DSJDWBEOSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000903165420 619728551 /nfs/dbraw/zinc/72/85/51/619728551.db2.gz KHSBXNDQGINBPB-DSJDWBEOSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903295915 619752789 /nfs/dbraw/zinc/75/27/89/619752789.db2.gz DRDDVSZGZULEFQ-HNAYVOBHSA-N 2 2 313.445 3.464 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000903345441 619761056 /nfs/dbraw/zinc/76/10/56/619761056.db2.gz WGBCRGYNPVYFGF-LJQANCHMSA-N 2 2 316.489 3.476 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000903345441 619761058 /nfs/dbraw/zinc/76/10/58/619761058.db2.gz WGBCRGYNPVYFGF-LJQANCHMSA-N 2 2 316.489 3.476 20 0 DGADLP C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903358406 619764722 /nfs/dbraw/zinc/76/47/22/619764722.db2.gz IRIODEBGVDHOSQ-HHXXYDBFSA-N 2 2 323.440 3.482 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C12CCC2 ZINC000903380898 619768562 /nfs/dbraw/zinc/76/85/62/619768562.db2.gz POYGTBARSAYJHN-RCCFBDPRSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H](CCc1ccco1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903384694 619769545 /nfs/dbraw/zinc/76/95/45/619769545.db2.gz SQTSQDNJVUUGNU-QAPCUYQASA-N 2 2 301.434 3.278 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000903732613 619806068 /nfs/dbraw/zinc/80/60/68/619806068.db2.gz GXUMWCTZGLTVNK-LMMKCTJWSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000903732613 619806071 /nfs/dbraw/zinc/80/60/71/619806071.db2.gz GXUMWCTZGLTVNK-LMMKCTJWSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000903732614 619806170 /nfs/dbraw/zinc/80/61/70/619806170.db2.gz GXUMWCTZGLTVNK-LNLFQRSKSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](C)CO1 ZINC000903732614 619806173 /nfs/dbraw/zinc/80/61/73/619806173.db2.gz GXUMWCTZGLTVNK-LNLFQRSKSA-N 2 2 302.462 3.147 20 0 DGADLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000903792564 619811695 /nfs/dbraw/zinc/81/16/95/619811695.db2.gz FGYJUVUXMHDUAO-UHFFFAOYSA-N 2 2 321.877 3.289 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2noc3c2CCCC3)CCC1 ZINC000903813082 619818343 /nfs/dbraw/zinc/81/83/43/619818343.db2.gz CQXVFZPZLYWOJQ-QGZVFWFLSA-N 2 2 303.450 3.037 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2noc3c2CCCC3)CCC1 ZINC000903813082 619818345 /nfs/dbraw/zinc/81/83/45/619818345.db2.gz CQXVFZPZLYWOJQ-QGZVFWFLSA-N 2 2 303.450 3.037 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)no1 ZINC000903813079 619818539 /nfs/dbraw/zinc/81/85/39/619818539.db2.gz YMYKZKXWCBESIW-OAHLLOKOSA-N 2 2 305.466 3.456 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)no1 ZINC000903813079 619818541 /nfs/dbraw/zinc/81/85/41/619818541.db2.gz YMYKZKXWCBESIW-OAHLLOKOSA-N 2 2 305.466 3.456 20 0 DGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000903878867 619827782 /nfs/dbraw/zinc/82/77/82/619827782.db2.gz LYFWYXQWWUVYKV-OAHLLOKOSA-N 2 2 312.404 3.019 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000903887114 619828593 /nfs/dbraw/zinc/82/85/93/619828593.db2.gz YXWBHZLVCFKXRQ-HNNXBMFYSA-N 2 2 300.368 3.063 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000903892773 619829468 /nfs/dbraw/zinc/82/94/68/619829468.db2.gz WMOSJASJQFIGEK-AWEZNQCLSA-N 2 2 300.368 3.063 20 0 DGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000903903356 619831669 /nfs/dbraw/zinc/83/16/69/619831669.db2.gz IUPMHTXSTQTTOV-CYBMUJFWSA-N 2 2 318.358 3.202 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910758 619833288 /nfs/dbraw/zinc/83/32/88/619833288.db2.gz PVQBNJUCRLDGRZ-WCQYABFASA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910758 619833289 /nfs/dbraw/zinc/83/32/89/619833289.db2.gz PVQBNJUCRLDGRZ-WCQYABFASA-N 2 2 322.321 3.477 20 0 DGADLP CC(C)CCOc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903919211 619833695 /nfs/dbraw/zinc/83/36/95/619833695.db2.gz BBWBODOJPDKZCD-AWEZNQCLSA-N 2 2 300.393 3.184 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957370 619839385 /nfs/dbraw/zinc/83/93/85/619839385.db2.gz QBOGHICEMYKKNM-LBPRGKRZSA-N 2 2 302.796 3.237 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000903955077 619846119 /nfs/dbraw/zinc/84/61/19/619846119.db2.gz KDZZIFXYUMHSEQ-JTQLQIEISA-N 2 2 309.187 3.328 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000903955078 619846125 /nfs/dbraw/zinc/84/61/25/619846125.db2.gz KDZZIFXYUMHSEQ-SNVBAGLBSA-N 2 2 309.187 3.328 20 0 DGADLP c1sc2ccccc2c1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973223 619847486 /nfs/dbraw/zinc/84/74/86/619847486.db2.gz BOUFJTIUXMAFQX-HNNXBMFYSA-N 2 2 316.470 3.150 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000905392294 619996962 /nfs/dbraw/zinc/99/69/62/619996962.db2.gz YDGPRIIVTVMKJO-RBUKOAKNSA-N 2 2 302.462 3.025 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000905392294 619996964 /nfs/dbraw/zinc/99/69/64/619996964.db2.gz YDGPRIIVTVMKJO-RBUKOAKNSA-N 2 2 302.462 3.025 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000905454424 620000700 /nfs/dbraw/zinc/00/07/00/620000700.db2.gz SIXXAZIERYFKJD-PMACEKPBSA-N 2 2 321.424 3.256 20 0 DGADLP c1cn(Cc2ccc(-c3cnc([C@H]4CCCC[NH2+]4)nc3)cc2)c[nH+]1 ZINC000906179571 620066080 /nfs/dbraw/zinc/06/60/80/620066080.db2.gz VJOHXWDPEQAFMX-GOSISDBHSA-N 2 2 319.412 3.203 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)o1 ZINC000906526680 620102907 /nfs/dbraw/zinc/10/29/07/620102907.db2.gz JGGJCIIEGJRSLW-MSOLQXFVSA-N 2 2 311.429 3.448 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)o1 ZINC000906526680 620102908 /nfs/dbraw/zinc/10/29/08/620102908.db2.gz JGGJCIIEGJRSLW-MSOLQXFVSA-N 2 2 311.429 3.448 20 0 DGADLP COc1cc(C)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000151022065 620417970 /nfs/dbraw/zinc/41/79/70/620417970.db2.gz WVRLOXQCZSKZEU-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cn(C)cn1 ZINC000924855737 620433135 /nfs/dbraw/zinc/43/31/35/620433135.db2.gz LFBNPRRSXSGRKU-OAHLLOKOSA-N 2 2 304.482 3.115 20 0 DGADLP c1cn(C2CC[NH+](Cn3ccc(-c4ccsc4)n3)CC2)c[nH+]1 ZINC000152083906 620490964 /nfs/dbraw/zinc/49/09/64/620490964.db2.gz MBNJGIJOOQUUBP-UHFFFAOYSA-N 2 2 313.430 3.103 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)C[NH+]1CCCCC1 ZINC000921564759 620908716 /nfs/dbraw/zinc/90/87/16/620908716.db2.gz XLUQLLHHJFYBIY-LBPRGKRZSA-N 2 2 310.873 3.152 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2nccc3c2CCCC3)c[nH+]1 ZINC000921589657 620912471 /nfs/dbraw/zinc/91/24/71/620912471.db2.gz NQYNEIJEQFSDBN-UHFFFAOYSA-N 2 2 318.424 3.436 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc2O1 ZINC000921605011 620913128 /nfs/dbraw/zinc/91/31/28/620913128.db2.gz YMDGCZCHHUCWLA-OAHLLOKOSA-N 2 2 319.408 3.486 20 0 DGADLP Cn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c(Cl)n1 ZINC000856778371 621020191 /nfs/dbraw/zinc/02/01/91/621020191.db2.gz NSHXZFCHUWAHNL-UHFFFAOYSA-N 2 2 312.889 3.208 20 0 DGADLP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922729816 621091896 /nfs/dbraw/zinc/09/18/96/621091896.db2.gz HFTFLFYBMMXDLE-JOYOIKCWSA-N 2 2 301.337 3.222 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000922732217 621092426 /nfs/dbraw/zinc/09/24/26/621092426.db2.gz SGMNRGSFZOTILU-GXSJLCMTSA-N 2 2 318.305 3.191 20 0 DGADLP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000922847879 621108030 /nfs/dbraw/zinc/10/80/30/621108030.db2.gz HWTFIPICIUQIRO-UHFFFAOYSA-N 3 2 324.472 3.369 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863859 621124629 /nfs/dbraw/zinc/12/46/29/621124629.db2.gz BUWJRTVUVPDVGS-JLJPHGGASA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863859 621124630 /nfs/dbraw/zinc/12/46/30/621124630.db2.gz BUWJRTVUVPDVGS-JLJPHGGASA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863859 621124632 /nfs/dbraw/zinc/12/46/32/621124632.db2.gz BUWJRTVUVPDVGS-JLJPHGGASA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863859 621124634 /nfs/dbraw/zinc/12/46/34/621124634.db2.gz BUWJRTVUVPDVGS-JLJPHGGASA-N 2 2 302.466 3.030 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)n1 ZINC000923536903 621192254 /nfs/dbraw/zinc/19/22/54/621192254.db2.gz ROMPCOBXWPDAOF-FQEVSTJZSA-N 2 2 324.472 3.207 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)n1 ZINC000923536903 621192256 /nfs/dbraw/zinc/19/22/56/621192256.db2.gz ROMPCOBXWPDAOF-FQEVSTJZSA-N 2 2 324.472 3.207 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000839193076 621347746 /nfs/dbraw/zinc/34/77/46/621347746.db2.gz YHCNRCAGJZCFRF-XPGWFJOJSA-N 2 2 313.489 3.500 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000806141062 621610268 /nfs/dbraw/zinc/61/02/68/621610268.db2.gz FNWZFHSSVNIOSJ-DNVCBOLYSA-N 2 2 301.478 3.500 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865412445 621914504 /nfs/dbraw/zinc/91/45/04/621914504.db2.gz OVHGYNRUFVCMKF-LLVKDONJSA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000865412445 621914507 /nfs/dbraw/zinc/91/45/07/621914507.db2.gz OVHGYNRUFVCMKF-LLVKDONJSA-N 2 2 314.351 3.001 20 0 DGADLP c1nc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1C1CC1 ZINC000865436229 621921166 /nfs/dbraw/zinc/92/11/66/621921166.db2.gz XYXQZFINOBPJNC-SFHVURJKSA-N 2 2 324.472 3.220 20 0 DGADLP c1nc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1C1CC1 ZINC000865436229 621921169 /nfs/dbraw/zinc/92/11/69/621921169.db2.gz XYXQZFINOBPJNC-SFHVURJKSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000865613216 621962228 /nfs/dbraw/zinc/96/22/28/621962228.db2.gz UZKWDBKQVTWCEG-BXUZGUMPSA-N 2 2 310.323 3.384 20 0 DGADLP ClC1(Cl)C[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761116426 621988082 /nfs/dbraw/zinc/98/80/82/621988082.db2.gz BSUGESQBALRHCK-LLVKDONJSA-N 2 2 300.233 3.152 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)c2)c[nH+]1 ZINC000865762039 621990683 /nfs/dbraw/zinc/99/06/83/621990683.db2.gz KIQZPRSYXVLVTR-YOEHRIQHSA-N 2 2 317.458 3.229 20 0 DGADLP C[NH+]1CCC2(CCN(c3[nH+]ccc4c(N)cccc43)CC2)CC1 ZINC000866054878 622038816 /nfs/dbraw/zinc/03/88/16/622038816.db2.gz KJOLFIGFHOLOPW-UHFFFAOYSA-N 2 2 310.445 3.129 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866206324 622065870 /nfs/dbraw/zinc/06/58/70/622065870.db2.gz CSZIOVZAVMVIBZ-ZBFHGGJFSA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866206324 622065874 /nfs/dbraw/zinc/06/58/74/622065874.db2.gz CSZIOVZAVMVIBZ-ZBFHGGJFSA-N 2 2 311.429 3.082 20 0 DGADLP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000866206091 622065981 /nfs/dbraw/zinc/06/59/81/622065981.db2.gz BEHFAHMRYGGQFG-SWLSCSKDSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000866206091 622065986 /nfs/dbraw/zinc/06/59/86/622065986.db2.gz BEHFAHMRYGGQFG-SWLSCSKDSA-N 2 2 301.821 3.419 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC000866212948 622067344 /nfs/dbraw/zinc/06/73/44/622067344.db2.gz OLHZTIOJOCLIRN-NSHDSACASA-N 2 2 304.781 3.419 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC000866212947 622067425 /nfs/dbraw/zinc/06/74/25/622067425.db2.gz OLHZTIOJOCLIRN-LLVKDONJSA-N 2 2 304.781 3.419 20 0 DGADLP F[C@@H]1COc2ccccc2[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000866257054 622077418 /nfs/dbraw/zinc/07/74/18/622077418.db2.gz RHVOQUJDMJFORY-CRAIPNDOSA-N 2 2 315.392 3.335 20 0 DGADLP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866635725 622151388 /nfs/dbraw/zinc/15/13/88/622151388.db2.gz CXYRFIKGCZKWGY-KXBFYZLASA-N 2 2 313.445 3.464 20 0 DGADLP CC[NH2+]CC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000866661724 622153834 /nfs/dbraw/zinc/15/38/34/622153834.db2.gz SNNMAPQKDYXAHC-UHFFFAOYSA-N 2 2 302.249 3.210 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cnn1-c1ccccc1 ZINC000764746112 622217092 /nfs/dbraw/zinc/21/70/92/622217092.db2.gz YJCMOTTZHOYGHQ-OAHLLOKOSA-N 2 2 324.472 3.458 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000764889954 622230443 /nfs/dbraw/zinc/23/04/43/622230443.db2.gz QXOZWJSAKJIIST-GJZGRUSLSA-N 2 2 309.417 3.117 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000764950487 622235139 /nfs/dbraw/zinc/23/51/39/622235139.db2.gz QYGBRQIUVXSEIP-SJORKVTESA-N 2 2 304.478 3.338 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000764950487 622235142 /nfs/dbraw/zinc/23/51/42/622235142.db2.gz QYGBRQIUVXSEIP-SJORKVTESA-N 2 2 304.478 3.338 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000765730551 622284301 /nfs/dbraw/zinc/28/43/01/622284301.db2.gz NRYMIGBGHZUYMY-QGZVFWFLSA-N 2 2 304.482 3.305 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000765814558 622289221 /nfs/dbraw/zinc/28/92/21/622289221.db2.gz DWZLXFXBNUOXES-BRWVUGGUSA-N 2 2 302.466 3.058 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000765814558 622289224 /nfs/dbraw/zinc/28/92/24/622289224.db2.gz DWZLXFXBNUOXES-BRWVUGGUSA-N 2 2 302.466 3.058 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn(C(C)C)nc32)[C@@H](C)C1 ZINC000765813204 622289263 /nfs/dbraw/zinc/28/92/63/622289263.db2.gz BQIZBJOXTBBWRB-BHYGNILZSA-N 2 2 304.482 3.161 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn(C(C)C)nc32)[C@@H](C)C1 ZINC000765813204 622289267 /nfs/dbraw/zinc/28/92/67/622289267.db2.gz BQIZBJOXTBBWRB-BHYGNILZSA-N 2 2 304.482 3.161 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000765908084 622293786 /nfs/dbraw/zinc/29/37/86/622293786.db2.gz XLBXEENZMIXJAB-FUHWJXTLSA-N 2 2 304.478 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000765908084 622293791 /nfs/dbraw/zinc/29/37/91/622293791.db2.gz XLBXEENZMIXJAB-FUHWJXTLSA-N 2 2 304.478 3.480 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000765973163 622297424 /nfs/dbraw/zinc/29/74/24/622297424.db2.gz DEYQDMAZHNCJSW-FZKQIMNGSA-N 2 2 324.415 3.259 20 0 DGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000123098670 622463388 /nfs/dbraw/zinc/46/33/88/622463388.db2.gz BCWYKUFBHXIOIQ-INIZCTEOSA-N 2 2 301.434 3.006 20 0 DGADLP Brc1ccoc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000769187890 622506520 /nfs/dbraw/zinc/50/65/20/622506520.db2.gz BVQBVKLYXDRLIX-UHFFFAOYSA-N 2 2 310.195 3.145 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1F ZINC000872024313 622757708 /nfs/dbraw/zinc/75/77/08/622757708.db2.gz QBASVROYINYKOD-DOMZBBRYSA-N 2 2 305.397 3.493 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCOC1 ZINC000872026535 622759954 /nfs/dbraw/zinc/75/99/54/622759954.db2.gz FTVGBBQEYARHGV-RDJZCZTQSA-N 2 2 317.408 3.306 20 0 DGADLP C[C@H]([NH2+]CC(F)(F)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000872106317 622808794 /nfs/dbraw/zinc/80/87/94/622808794.db2.gz ILFHNNSKRKBAMH-NSHDSACASA-N 2 2 318.358 3.377 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129740 622823700 /nfs/dbraw/zinc/82/37/00/622823700.db2.gz BFWPTEIAJZNFJG-MDZLAQPJSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129740 622823704 /nfs/dbraw/zinc/82/37/04/622823704.db2.gz BFWPTEIAJZNFJG-MDZLAQPJSA-N 2 2 301.356 3.234 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CC3(C)C)CC2)cc1 ZINC000772974782 622959038 /nfs/dbraw/zinc/95/90/38/622959038.db2.gz FLICTAZVJSTWAX-HNNXBMFYSA-N 2 2 301.478 3.357 20 0 DGADLP Cc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000873009270 623017260 /nfs/dbraw/zinc/01/72/60/623017260.db2.gz INAKCZZWLNWQLY-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000873223531 623080387 /nfs/dbraw/zinc/08/03/87/623080387.db2.gz PRIJUHREPORNES-RRFJBIMHSA-N 2 2 323.278 3.065 20 0 DGADLP COCCC1([NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]CC1 ZINC000873225211 623081378 /nfs/dbraw/zinc/08/13/78/623081378.db2.gz UKTFOQCNPWUDNU-UHFFFAOYSA-N 2 2 322.836 3.335 20 0 DGADLP COCCC1([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000873225174 623081566 /nfs/dbraw/zinc/08/15/66/623081566.db2.gz SEKVSJZMGYVECI-UHFFFAOYSA-N 2 2 317.260 3.242 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C(F)(F)F ZINC000873227085 623081645 /nfs/dbraw/zinc/08/16/45/623081645.db2.gz GOSAYHDIEOEGKY-ZWNOBZJWSA-N 2 2 316.298 3.141 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C(F)(F)F ZINC000873227085 623081649 /nfs/dbraw/zinc/08/16/49/623081649.db2.gz GOSAYHDIEOEGKY-ZWNOBZJWSA-N 2 2 316.298 3.141 20 0 DGADLP FC(F)(F)COc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229732 623082300 /nfs/dbraw/zinc/08/23/00/623082300.db2.gz FFWYOYMAKRANMS-HUUCEWRRSA-N 2 2 314.351 3.002 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000774167866 623115603 /nfs/dbraw/zinc/11/56/03/623115603.db2.gz YJPANOVKTPRJDQ-YKCBXCCJSA-N 2 2 314.473 3.324 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000774167866 623115604 /nfs/dbraw/zinc/11/56/04/623115604.db2.gz YJPANOVKTPRJDQ-YKCBXCCJSA-N 2 2 314.473 3.324 20 0 DGADLP Cc1cc(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000774977883 623212860 /nfs/dbraw/zinc/21/28/60/623212860.db2.gz ZMJRDCFARFFPAJ-CYBMUJFWSA-N 2 2 322.250 3.380 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[NH+]1CCCCC1 ZINC000775365563 623260448 /nfs/dbraw/zinc/26/04/48/623260448.db2.gz OVAHZZQKLYWWIE-ILXRZTDVSA-N 2 2 314.564 3.220 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881483 623346241 /nfs/dbraw/zinc/34/62/41/623346241.db2.gz AISZFKPPKUSKHX-UHFFFAOYSA-N 2 2 312.461 3.137 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C3CCOCC3)cc2)CC1 ZINC000776806155 623465686 /nfs/dbraw/zinc/46/56/86/623465686.db2.gz QISJMEAXBFXHJR-INIZCTEOSA-N 2 2 317.477 3.056 20 0 DGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000777610493 623548159 /nfs/dbraw/zinc/54/81/59/623548159.db2.gz MAKVLDQGKUWVAA-IBGZPJMESA-N 2 2 317.477 3.056 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(C)c1OC(F)F ZINC000778189489 623622067 /nfs/dbraw/zinc/62/20/67/623622067.db2.gz PUHJTYLRINDKTQ-AWEZNQCLSA-N 2 2 321.371 3.206 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000876934132 623747562 /nfs/dbraw/zinc/74/75/62/623747562.db2.gz BRBWASMVSAVKOX-GBESFXJTSA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000876934132 623747566 /nfs/dbraw/zinc/74/75/66/623747566.db2.gz BRBWASMVSAVKOX-GBESFXJTSA-N 2 2 302.462 3.369 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000876988813 623760748 /nfs/dbraw/zinc/76/07/48/623760748.db2.gz MYNGMLBQXYNKFR-MRUHUIDDSA-N 2 2 318.442 3.419 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000877037672 623773128 /nfs/dbraw/zinc/77/31/28/623773128.db2.gz VBZCRHNRWXVITC-AVYPCKFXSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000877037672 623773131 /nfs/dbraw/zinc/77/31/31/623773131.db2.gz VBZCRHNRWXVITC-AVYPCKFXSA-N 2 2 304.415 3.173 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]CCC[C@H]3CCO3)cc2)CC1 ZINC000877131047 623799433 /nfs/dbraw/zinc/79/94/33/623799433.db2.gz SLKUJKFZIQNRSB-IBGZPJMESA-N 2 2 317.477 3.198 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000877479529 623901900 /nfs/dbraw/zinc/90/19/00/623901900.db2.gz WSXPNYGMCNHEEM-PXARDIRTSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000877479529 623901905 /nfs/dbraw/zinc/90/19/05/623901905.db2.gz WSXPNYGMCNHEEM-PXARDIRTSA-N 2 2 316.426 3.316 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4[C@H](CC[N@H+]4C)C3)cc2s1 ZINC000877742406 624015112 /nfs/dbraw/zinc/01/51/12/624015112.db2.gz PBFJHDMZWWNZDA-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cc2s1 ZINC000877742406 624015115 /nfs/dbraw/zinc/01/51/15/624015115.db2.gz PBFJHDMZWWNZDA-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)cc2s1 ZINC000877742406 624015119 /nfs/dbraw/zinc/01/51/19/624015119.db2.gz PBFJHDMZWWNZDA-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)cc2s1 ZINC000877742406 624015121 /nfs/dbraw/zinc/01/51/21/624015121.db2.gz PBFJHDMZWWNZDA-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283016 624234944 /nfs/dbraw/zinc/23/49/44/624234944.db2.gz CSHMZVSDUYUNNA-IUODEOHRSA-N 2 2 304.825 3.323 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283016 624234946 /nfs/dbraw/zinc/23/49/46/624234946.db2.gz CSHMZVSDUYUNNA-IUODEOHRSA-N 2 2 304.825 3.323 20 0 DGADLP C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127478628 624410146 /nfs/dbraw/zinc/41/01/46/624410146.db2.gz HTAYNTORQCNVCH-PEBXRYMYSA-N 2 2 319.474 3.070 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000879286558 624484076 /nfs/dbraw/zinc/48/40/76/624484076.db2.gz VKOIURHZJKWWIZ-MRXNPFEDSA-N 2 2 310.869 3.180 20 0 DGADLP C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784591166 624554343 /nfs/dbraw/zinc/55/43/43/624554343.db2.gz FQTHOMVRMILYPT-IUODEOHRSA-N 2 2 317.414 3.129 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566858 624592972 /nfs/dbraw/zinc/59/29/72/624592972.db2.gz ZNCXQDCTQMKJTP-SJORKVTESA-N 2 2 313.470 3.366 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566858 624592977 /nfs/dbraw/zinc/59/29/77/624592977.db2.gz ZNCXQDCTQMKJTP-SJORKVTESA-N 2 2 313.470 3.366 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572535 624595473 /nfs/dbraw/zinc/59/54/73/624595473.db2.gz YPHZBVIDFBLILE-KDOFPFPSSA-N 2 2 315.392 3.007 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572535 624595482 /nfs/dbraw/zinc/59/54/82/624595482.db2.gz YPHZBVIDFBLILE-KDOFPFPSSA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572535 624595488 /nfs/dbraw/zinc/59/54/88/624595488.db2.gz YPHZBVIDFBLILE-KDOFPFPSSA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572535 624595494 /nfs/dbraw/zinc/59/54/94/624595494.db2.gz YPHZBVIDFBLILE-KDOFPFPSSA-N 2 2 315.392 3.007 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580332 624597196 /nfs/dbraw/zinc/59/71/96/624597196.db2.gz SOMFVJDJBJBUPS-NVXWUHKLSA-N 2 2 317.864 3.321 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580332 624597202 /nfs/dbraw/zinc/59/72/02/624597202.db2.gz SOMFVJDJBJBUPS-NVXWUHKLSA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580332 624597205 /nfs/dbraw/zinc/59/72/05/624597205.db2.gz SOMFVJDJBJBUPS-NVXWUHKLSA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580332 624597210 /nfs/dbraw/zinc/59/72/10/624597210.db2.gz SOMFVJDJBJBUPS-NVXWUHKLSA-N 2 2 317.864 3.321 20 0 DGADLP Clc1csc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000785466435 624670982 /nfs/dbraw/zinc/67/09/82/624670982.db2.gz NOOKVWGYDRWXPZ-AWEZNQCLSA-N 2 2 314.882 3.135 20 0 DGADLP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(Cl)n1 ZINC000880258563 624874674 /nfs/dbraw/zinc/87/46/74/624874674.db2.gz IODIJJGVWDYXJZ-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(Cl)n1 ZINC000880258563 624874678 /nfs/dbraw/zinc/87/46/78/624874678.db2.gz IODIJJGVWDYXJZ-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000880469631 624964030 /nfs/dbraw/zinc/96/40/30/624964030.db2.gz CGNMCMJNKXJBNN-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP Cc1nc(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880569473 624979390 /nfs/dbraw/zinc/97/93/90/624979390.db2.gz LVFWOJVXFWZHGX-QGZVFWFLSA-N 2 2 312.442 3.222 20 0 DGADLP Cc1nsc(C)c1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568782 624979476 /nfs/dbraw/zinc/97/94/76/624979476.db2.gz COUSZBDIOXHVCR-QGZVFWFLSA-N 2 2 312.442 3.488 20 0 DGADLP CC(C)CCOCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568716 624979514 /nfs/dbraw/zinc/97/95/14/624979514.db2.gz DLSGDZJVYZMRCI-SFHVURJKSA-N 2 2 301.434 3.277 20 0 DGADLP FC(F)(F)OCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570162 624979964 /nfs/dbraw/zinc/97/99/64/624979964.db2.gz QQLIYTIHFQGUSK-CQSZACIVSA-N 2 2 313.323 3.141 20 0 DGADLP Clc1ccc2c(n1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000788429940 625168979 /nfs/dbraw/zinc/16/89/79/625168979.db2.gz LVNLEFUUXKEHST-CQSZACIVSA-N 2 2 316.836 3.087 20 0 DGADLP c1cc(-c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)o2)n[nH]1 ZINC000788508836 625201404 /nfs/dbraw/zinc/20/14/04/625201404.db2.gz JLLGRPNSMHXKAY-UHFFFAOYSA-N 2 2 319.368 3.145 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000791137654 625754878 /nfs/dbraw/zinc/75/48/78/625754878.db2.gz SMROXZSOHQQFMU-RYQLBKOJSA-N 3 2 312.461 3.396 20 0 DGADLP c1ccc(NCCCC[NH2+]Cc2cccc3c2CCOC3)[nH+]c1 ZINC000882968369 625878739 /nfs/dbraw/zinc/87/87/39/625878739.db2.gz MAFXGCOTBKRRBS-UHFFFAOYSA-N 2 2 311.429 3.136 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000796780374 626081958 /nfs/dbraw/zinc/08/19/58/626081958.db2.gz IOTRTROALVFXPZ-FUHWJXTLSA-N 2 2 321.428 3.094 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000799718497 626323834 /nfs/dbraw/zinc/32/38/34/626323834.db2.gz CXEMTICRAOQNEI-MAUKXSAKSA-N 2 2 308.441 3.367 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000799718497 626323835 /nfs/dbraw/zinc/32/38/35/626323835.db2.gz CXEMTICRAOQNEI-MAUKXSAKSA-N 2 2 308.441 3.367 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000799725857 626324884 /nfs/dbraw/zinc/32/48/84/626324884.db2.gz KEGFSLROVVEOQZ-ROUUACIJSA-N 2 2 308.510 3.437 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000800243832 626344439 /nfs/dbraw/zinc/34/44/39/626344439.db2.gz BFBAONKCAOMTLM-NVXWUHKLSA-N 2 2 301.434 3.107 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)oc1C ZINC000800479115 626363460 /nfs/dbraw/zinc/36/34/60/626363460.db2.gz WWBOQZVNKPVHRL-WMLDXEAASA-N 2 2 306.450 3.190 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CCC1 ZINC000883217051 626612039 /nfs/dbraw/zinc/61/20/39/626612039.db2.gz AXPSKBFJLUBILT-SFHVURJKSA-N 2 2 320.452 3.367 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386635 626668803 /nfs/dbraw/zinc/66/88/03/626668803.db2.gz KDSNYRBROUTFEX-MSOLQXFVSA-N 2 2 321.428 3.025 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387918 626669222 /nfs/dbraw/zinc/66/92/22/626669222.db2.gz IGDHPOTWZFBZRQ-QAPCUYQASA-N 2 2 307.401 3.074 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C12CCC2 ZINC000883388611 626670146 /nfs/dbraw/zinc/67/01/46/626670146.db2.gz YTDRYEGIIZXIIN-FGTMMUONSA-N 2 2 311.429 3.172 20 0 DGADLP CC(C)Cn1nccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397180 626672531 /nfs/dbraw/zinc/67/25/31/626672531.db2.gz GTOZYMHGGHVHPV-IBGZPJMESA-N 2 2 323.444 3.267 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883450780 626684494 /nfs/dbraw/zinc/68/44/94/626684494.db2.gz XPCGSLPIULLKME-QRVBRYPASA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883450780 626684497 /nfs/dbraw/zinc/68/44/97/626684497.db2.gz XPCGSLPIULLKME-QRVBRYPASA-N 2 2 302.462 3.371 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2n[nH]c3ccccc32)cc1 ZINC000809738376 626943964 /nfs/dbraw/zinc/94/39/64/626943964.db2.gz WPKAUDCZKNXPEN-UHFFFAOYSA-N 2 2 308.429 3.257 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2n[nH]c3ccccc32)cc1 ZINC000809738376 626943966 /nfs/dbraw/zinc/94/39/66/626943966.db2.gz WPKAUDCZKNXPEN-UHFFFAOYSA-N 2 2 308.429 3.257 20 0 DGADLP O[C@H](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000809745837 626945535 /nfs/dbraw/zinc/94/55/35/626945535.db2.gz HCYBZSVBOGTUKW-LJQANCHMSA-N 2 2 307.397 3.086 20 0 DGADLP O[C@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000809748517 626945882 /nfs/dbraw/zinc/94/58/82/626945882.db2.gz UFRNCLZREBFYTF-QGZVFWFLSA-N 2 2 313.426 3.147 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)ccc2O1 ZINC000810171724 626984574 /nfs/dbraw/zinc/98/45/74/626984574.db2.gz REYNYIDYQKTRAW-HNNXBMFYSA-N 2 2 311.429 3.160 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC000810253531 626992838 /nfs/dbraw/zinc/99/28/38/626992838.db2.gz WEIOGMMMSZWKAE-APWZRJJASA-N 2 2 311.429 3.025 20 0 DGADLP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(F)c1OC ZINC000886089806 627101403 /nfs/dbraw/zinc/10/14/03/627101403.db2.gz JVDBUFRCIFGHKO-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886122729 627108738 /nfs/dbraw/zinc/10/87/38/627108738.db2.gz IXMOHVWHCGTKPG-GDIGMMSISA-N 2 2 311.429 3.481 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164395 627115850 /nfs/dbraw/zinc/11/58/50/627115850.db2.gz JVUBPFWDZBECFJ-BEKAIBRUSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164395 627115851 /nfs/dbraw/zinc/11/58/51/627115851.db2.gz JVUBPFWDZBECFJ-BEKAIBRUSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000886280563 627130567 /nfs/dbraw/zinc/13/05/67/627130567.db2.gz GYKNPZVZGZEFSG-RJZRQDKASA-N 2 2 304.400 3.285 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCC4(CCC4)CO3)cc2)c[nH+]1 ZINC000886319543 627136549 /nfs/dbraw/zinc/13/65/49/627136549.db2.gz HKFYCRQDIBZOKT-GOSISDBHSA-N 2 2 311.429 3.311 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nnc(C(C)C)s3)CC2)[nH+]c1C ZINC000886659564 627182543 /nfs/dbraw/zinc/18/25/43/627182543.db2.gz PNGZXDKYNIRINT-UHFFFAOYSA-N 2 2 319.478 3.381 20 0 DGADLP COCc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC000886666216 627184415 /nfs/dbraw/zinc/18/44/15/627184415.db2.gz OUTUAFLXSXDWBO-UHFFFAOYSA-N 2 2 320.462 3.009 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822174 627208576 /nfs/dbraw/zinc/20/85/76/627208576.db2.gz NAODBDLYIKCHDK-MJGOQNOKSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822174 627208577 /nfs/dbraw/zinc/20/85/77/627208577.db2.gz NAODBDLYIKCHDK-MJGOQNOKSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822173 627208744 /nfs/dbraw/zinc/20/87/44/627208744.db2.gz NAODBDLYIKCHDK-IEBWSBKVSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822173 627208746 /nfs/dbraw/zinc/20/87/46/627208746.db2.gz NAODBDLYIKCHDK-IEBWSBKVSA-N 2 2 311.429 3.182 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868005 627211765 /nfs/dbraw/zinc/21/17/65/627211765.db2.gz TVKGQIITJIHWEV-LJQANCHMSA-N 2 2 311.429 3.307 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868005 627211766 /nfs/dbraw/zinc/21/17/66/627211766.db2.gz TVKGQIITJIHWEV-LJQANCHMSA-N 2 2 311.429 3.307 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000925497267 627556515 /nfs/dbraw/zinc/55/65/15/627556515.db2.gz YGPDLYRPLCORDQ-ZLIFDBKOSA-N 2 2 304.821 3.052 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000815116710 627629259 /nfs/dbraw/zinc/62/92/59/627629259.db2.gz AMWUVVJYHDXDDL-MRXNPFEDSA-N 2 2 305.397 3.235 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924576244 627650960 /nfs/dbraw/zinc/65/09/60/627650960.db2.gz AVVJGFAIIIVSMU-OAHLLOKOSA-N 2 2 304.482 3.208 20 0 DGADLP CCC(CC)[C@@H](CN[C@H](C)c1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000924631169 627660073 /nfs/dbraw/zinc/66/00/73/627660073.db2.gz FOGLXXUWDJRINU-RHSMWYFYSA-N 2 2 306.498 3.236 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924684605 627667288 /nfs/dbraw/zinc/66/72/88/627667288.db2.gz LLJCKJCKYPAVJH-BBWFWOEESA-N 2 2 318.509 3.238 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924684605 627667293 /nfs/dbraw/zinc/66/72/93/627667293.db2.gz LLJCKJCKYPAVJH-BBWFWOEESA-N 2 2 318.509 3.238 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924699763 627670061 /nfs/dbraw/zinc/67/00/61/627670061.db2.gz ULIGEVMSRGYWBC-QZTJIDSGSA-N 2 2 315.461 3.142 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924699763 627670064 /nfs/dbraw/zinc/67/00/64/627670064.db2.gz ULIGEVMSRGYWBC-QZTJIDSGSA-N 2 2 315.461 3.142 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000924729283 627673941 /nfs/dbraw/zinc/67/39/41/627673941.db2.gz HPQOBEGOASDKPI-WOJBJXKFSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)c1 ZINC000924729283 627673945 /nfs/dbraw/zinc/67/39/45/627673945.db2.gz HPQOBEGOASDKPI-WOJBJXKFSA-N 2 2 324.472 3.038 20 0 DGADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728775 627674441 /nfs/dbraw/zinc/67/44/41/627674441.db2.gz HTWUEPDSCIJSFK-DZGCQCFKSA-N 2 2 302.422 3.261 20 0 DGADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808847 627682423 /nfs/dbraw/zinc/68/24/23/627682423.db2.gz WVYIFBJYGKOPJD-FUHWJXTLSA-N 2 2 301.434 3.292 20 0 DGADLP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808849 627682439 /nfs/dbraw/zinc/68/24/39/627682439.db2.gz WVYIFBJYGKOPJD-SJLPKXTDSA-N 2 2 301.434 3.292 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccnn1CC1CCC1 ZINC000924844225 627686087 /nfs/dbraw/zinc/68/60/87/627686087.db2.gz RGGXEPCFGLSSGV-HNNXBMFYSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616211 627691034 /nfs/dbraw/zinc/69/10/34/627691034.db2.gz JABDIQQLUHBKHN-KSSFIOAISA-N 2 2 322.518 3.294 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616211 627691038 /nfs/dbraw/zinc/69/10/38/627691038.db2.gz JABDIQQLUHBKHN-KSSFIOAISA-N 2 2 322.518 3.294 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000925008680 627700351 /nfs/dbraw/zinc/70/03/51/627700351.db2.gz DOWOTTOQBBWINW-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccn2)c1 ZINC000925008680 627700355 /nfs/dbraw/zinc/70/03/55/627700355.db2.gz DOWOTTOQBBWINW-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000925086689 627707533 /nfs/dbraw/zinc/70/75/33/627707533.db2.gz QBTVOZXTKWRJTG-GDBMZVCRSA-N 2 2 306.498 3.236 20 0 DGADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)CCC2 ZINC000925172231 627715633 /nfs/dbraw/zinc/71/56/33/627715633.db2.gz RUMQHDQBDIQWPA-JZXOWHBKSA-N 2 2 310.445 3.157 20 0 DGADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)CCC2 ZINC000925172233 627715720 /nfs/dbraw/zinc/71/57/20/627715720.db2.gz RUMQHDQBDIQWPA-XYJFISCASA-N 2 2 310.445 3.157 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198014 627718120 /nfs/dbraw/zinc/71/81/20/627718120.db2.gz QMEBDSUFDYMJOK-WIYYLYMNSA-N 2 2 323.484 3.167 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198014 627718123 /nfs/dbraw/zinc/71/81/23/627718123.db2.gz QMEBDSUFDYMJOK-WIYYLYMNSA-N 2 2 323.484 3.167 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925267795 627726132 /nfs/dbraw/zinc/72/61/32/627726132.db2.gz GDMDVWNLRYMRJP-NBYUQASBSA-N 2 2 316.489 3.148 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925267795 627726135 /nfs/dbraw/zinc/72/61/35/627726135.db2.gz GDMDVWNLRYMRJP-NBYUQASBSA-N 2 2 316.489 3.148 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H]2CCOC2)cc1 ZINC000925297560 627728325 /nfs/dbraw/zinc/72/83/25/627728325.db2.gz GYYQYTFDTWIQMX-ZRNYENFQSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H]2CCOC2)cc1 ZINC000925297560 627728330 /nfs/dbraw/zinc/72/83/30/627728330.db2.gz GYYQYTFDTWIQMX-ZRNYENFQSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925292141 627728445 /nfs/dbraw/zinc/72/84/45/627728445.db2.gz IRZFXOONELCKJR-FPCVCCKLSA-N 2 2 308.491 3.167 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925292141 627728447 /nfs/dbraw/zinc/72/84/47/627728447.db2.gz IRZFXOONELCKJR-FPCVCCKLSA-N 2 2 308.491 3.167 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1 ZINC000925511451 627744866 /nfs/dbraw/zinc/74/48/66/627744866.db2.gz NGADRJMGFLEWSH-KXBFYZLASA-N 2 2 308.429 3.105 20 0 DGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514507 627745772 /nfs/dbraw/zinc/74/57/72/627745772.db2.gz PNFXCEWMZGAERP-TXPKVOOTSA-N 3 2 303.494 3.128 20 0 DGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514507 627745775 /nfs/dbraw/zinc/74/57/75/627745775.db2.gz PNFXCEWMZGAERP-TXPKVOOTSA-N 3 2 303.494 3.128 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1OCCc2sccc21)c1ccccc1 ZINC000925522229 627746766 /nfs/dbraw/zinc/74/67/66/627746766.db2.gz GSEKSDPDMDTCTQ-YLQAJVPDSA-N 2 2 302.443 3.040 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1nc(C(F)(F)F)cs1 ZINC000925527819 627747961 /nfs/dbraw/zinc/74/79/61/627747961.db2.gz RDQIKHAKIQHDBX-GUBZILKMSA-N 2 2 319.396 3.473 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(-c2cccnc2)cc1 ZINC000925528564 627748204 /nfs/dbraw/zinc/74/82/04/627748204.db2.gz FRFSUIZQXNMSSU-FKPCCVSFSA-N 2 2 319.452 3.396 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000925535666 627749641 /nfs/dbraw/zinc/74/96/41/627749641.db2.gz IMCJVHKQSJMXSJ-OXQOHEQNSA-N 2 2 320.440 3.093 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000925565163 627755159 /nfs/dbraw/zinc/75/51/59/627755159.db2.gz PPTCMCOGDRTZQD-CZUORRHYSA-N 2 2 303.475 3.487 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000925606693 627762180 /nfs/dbraw/zinc/76/21/80/627762180.db2.gz PVAZUUOVUQKRDM-SFHVURJKSA-N 2 2 314.429 3.227 20 0 DGADLP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccccc2)cc1 ZINC000925638749 627766760 /nfs/dbraw/zinc/76/67/60/627766760.db2.gz GQEUYBXROKIHNE-UXHICEINSA-N 2 2 322.452 3.261 20 0 DGADLP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccccc2)cc1 ZINC000925638752 627767022 /nfs/dbraw/zinc/76/70/22/627767022.db2.gz GQEUYBXROKIHNE-VQTJNVASSA-N 2 2 322.452 3.261 20 0 DGADLP CC(C)([NH3+])CC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000925736843 627785117 /nfs/dbraw/zinc/78/51/17/627785117.db2.gz DAKBVJWHPXYRRD-INIZCTEOSA-N 2 2 305.372 3.166 20 0 DGADLP CC(C)[C@H](c1ccccc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747305 627786495 /nfs/dbraw/zinc/78/64/95/627786495.db2.gz HEXVXNKPMUVFAJ-QGZVFWFLSA-N 2 2 301.459 3.357 20 0 DGADLP CC(C)[C@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747305 627786496 /nfs/dbraw/zinc/78/64/96/627786496.db2.gz HEXVXNKPMUVFAJ-QGZVFWFLSA-N 2 2 301.459 3.357 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CCCCc3ccccc31)C2 ZINC000925749389 627786880 /nfs/dbraw/zinc/78/68/80/627786880.db2.gz WXHAXGUUTPAPLB-INIZCTEOSA-N 2 2 313.470 3.428 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCCCc3ccccc31)C2 ZINC000925749389 627786882 /nfs/dbraw/zinc/78/68/82/627786882.db2.gz WXHAXGUUTPAPLB-INIZCTEOSA-N 2 2 313.470 3.428 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793901 627796077 /nfs/dbraw/zinc/79/60/77/627796077.db2.gz JOQOHVHOQOTEJL-MOPGFXCFSA-N 2 2 316.489 3.448 20 0 DGADLP CCC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925799455 627796977 /nfs/dbraw/zinc/79/69/77/627796977.db2.gz YVQHZOAOLZQHIY-ZWKOTPCHSA-N 2 2 302.462 3.276 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nccc2c1CCCC2 ZINC000925805944 627798272 /nfs/dbraw/zinc/79/82/72/627798272.db2.gz MSOPZMVDIUEIBP-KXBFYZLASA-N 2 2 309.457 3.009 20 0 DGADLP c1ccc([C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccn2)cc1 ZINC000925846561 627805885 /nfs/dbraw/zinc/80/58/85/627805885.db2.gz QCNRUENCNQQWIR-VAMGGRTRSA-N 2 2 307.441 3.293 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@H]1CCCC[NH2+]1 ZINC000925876954 627810364 /nfs/dbraw/zinc/81/03/64/627810364.db2.gz KAXQFCVGWNZPAR-JKSUJKDBSA-N 2 2 306.450 3.023 20 0 DGADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224490 627865020 /nfs/dbraw/zinc/86/50/20/627865020.db2.gz QKPKWEFFFKJQKB-LPHOPBHVSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224490 627865023 /nfs/dbraw/zinc/86/50/23/627865023.db2.gz QKPKWEFFFKJQKB-LPHOPBHVSA-N 2 2 310.445 3.182 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)CCC1 ZINC000926244636 627869315 /nfs/dbraw/zinc/86/93/15/627869315.db2.gz QZQCMPFTKFYCBH-HXUWFJFHSA-N 2 2 323.484 3.309 20 0 DGADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(OC)n1 ZINC000926336482 627881421 /nfs/dbraw/zinc/88/14/21/627881421.db2.gz GCRSYWAXJMGXQR-GPANFISMSA-N 2 2 303.450 3.148 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926405849 627890612 /nfs/dbraw/zinc/89/06/12/627890612.db2.gz GHKPXPZPZMJSFF-GDAAHCPNSA-N 2 2 302.462 3.023 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926405849 627890614 /nfs/dbraw/zinc/89/06/14/627890614.db2.gz GHKPXPZPZMJSFF-GDAAHCPNSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1OCCc2sccc21 ZINC000926475828 627901445 /nfs/dbraw/zinc/90/14/45/627901445.db2.gz GECDZSCALREILC-ZDRJDWQYSA-N 2 2 320.502 3.357 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1OCCc2sccc21 ZINC000926475828 627901448 /nfs/dbraw/zinc/90/14/48/627901448.db2.gz GECDZSCALREILC-ZDRJDWQYSA-N 2 2 320.502 3.357 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CO[C@H]1C ZINC000926497092 627904567 /nfs/dbraw/zinc/90/45/67/627904567.db2.gz SMWIKXHJPSYKFJ-HUBLWGQQSA-N 2 2 305.809 3.039 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000817892732 627953496 /nfs/dbraw/zinc/95/34/96/627953496.db2.gz BXGZIDMYKLULDO-ILXRZTDVSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000817955216 627974275 /nfs/dbraw/zinc/97/42/75/627974275.db2.gz SUEMPKFJKBOJFJ-BEFAXECRSA-N 2 2 323.440 3.164 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000817959462 627975052 /nfs/dbraw/zinc/97/50/52/627975052.db2.gz RNCHAOFBXNHKDL-KXBFYZLASA-N 2 2 312.461 3.431 20 0 DGADLP CCC[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957179 627989989 /nfs/dbraw/zinc/98/99/89/627989989.db2.gz GYJJFUMHYXTZPK-KRWDZBQOSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957179 627989995 /nfs/dbraw/zinc/98/99/95/627989995.db2.gz GYJJFUMHYXTZPK-KRWDZBQOSA-N 2 2 304.478 3.446 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)o1 ZINC000926969170 627990800 /nfs/dbraw/zinc/99/08/00/627990800.db2.gz DQJJJBKBVFIKFQ-DLBZAZTESA-N 2 2 313.445 3.285 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)o1 ZINC000926969170 627990805 /nfs/dbraw/zinc/99/08/05/627990805.db2.gz DQJJJBKBVFIKFQ-DLBZAZTESA-N 2 2 313.445 3.285 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)o1 ZINC000926969172 627991357 /nfs/dbraw/zinc/99/13/57/627991357.db2.gz DQJJJBKBVFIKFQ-IRXDYDNUSA-N 2 2 313.445 3.285 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)o1 ZINC000926969172 627991361 /nfs/dbraw/zinc/99/13/61/627991361.db2.gz DQJJJBKBVFIKFQ-IRXDYDNUSA-N 2 2 313.445 3.285 20 0 DGADLP CC1(C)C[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)(C)O1 ZINC000927101637 628014841 /nfs/dbraw/zinc/01/48/41/628014841.db2.gz ODHZMWOEEYUAPY-HNNXBMFYSA-N 2 2 317.477 3.234 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000819014351 628078394 /nfs/dbraw/zinc/07/83/94/628078394.db2.gz ORZYTVOPKSEDLK-INIZCTEOSA-N 2 2 304.478 3.401 20 0 DGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000819079279 628088379 /nfs/dbraw/zinc/08/83/79/628088379.db2.gz UALJQGXFTMENTN-PXNSSMCTSA-N 2 2 312.457 3.337 20 0 DGADLP CC(C)C[C@H](C[NH2+]C[C@H](O)C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000819387510 628145497 /nfs/dbraw/zinc/14/54/97/628145497.db2.gz MRIGXEVTXNEHKU-LZQZEXGQSA-N 2 2 304.478 3.112 20 0 DGADLP [NH3+]CCCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000831461337 629379691 /nfs/dbraw/zinc/37/96/91/629379691.db2.gz LHSHBCGLLUDZJO-UHFFFAOYSA-N 2 2 324.428 3.059 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CC1(F)F ZINC000840878323 630370718 /nfs/dbraw/zinc/37/07/18/630370718.db2.gz DAHRUOPCJZXRSO-DYVFJYSZSA-N 2 2 323.431 3.355 20 0 DGADLP CC(C)[C@H](c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@H](C)[NH3+] ZINC000841826519 630469577 /nfs/dbraw/zinc/46/95/77/630469577.db2.gz DYLGZQSSGHSSSG-WFASDCNBSA-N 2 2 311.389 3.009 20 0 DGADLP CC(C)[C@@H](c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@H](C)[NH3+] ZINC000841826517 630469702 /nfs/dbraw/zinc/46/97/02/630469702.db2.gz DYLGZQSSGHSSSG-SWLSCSKDSA-N 2 2 311.389 3.009 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000842780406 630575174 /nfs/dbraw/zinc/57/51/74/630575174.db2.gz WVTFIXOTYOVCCP-JFIYKMOQSA-N 2 2 313.489 3.500 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000843357348 630649689 /nfs/dbraw/zinc/64/96/89/630649689.db2.gz GVQBDEBHRUCXRL-CABCVRRESA-N 2 2 311.429 3.279 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000843357348 630649690 /nfs/dbraw/zinc/64/96/90/630649690.db2.gz GVQBDEBHRUCXRL-CABCVRRESA-N 2 2 311.429 3.279 20 0 DGADLP c1cn(-c2cccc(-c3noc([C@H]4CC[C@H](C5CC5)[NH2+]4)n3)c2)c[nH+]1 ZINC000844910211 630977324 /nfs/dbraw/zinc/97/73/24/630977324.db2.gz MNFOFGNQTMILRI-HZPDHXFCSA-N 2 2 321.384 3.125 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831251 631321200 /nfs/dbraw/zinc/32/12/00/631321200.db2.gz HZXXHUFMZMPFDZ-XJKSGUPXSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831251 631321214 /nfs/dbraw/zinc/32/12/14/631321214.db2.gz HZXXHUFMZMPFDZ-XJKSGUPXSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000846831251 631321216 /nfs/dbraw/zinc/32/12/16/631321216.db2.gz HZXXHUFMZMPFDZ-XJKSGUPXSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000846831251 631321218 /nfs/dbraw/zinc/32/12/18/631321218.db2.gz HZXXHUFMZMPFDZ-XJKSGUPXSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831247 631321721 /nfs/dbraw/zinc/32/17/21/631321721.db2.gz HZXXHUFMZMPFDZ-CJNGLKHVSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831247 631321729 /nfs/dbraw/zinc/32/17/29/631321729.db2.gz HZXXHUFMZMPFDZ-CJNGLKHVSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000846831247 631321736 /nfs/dbraw/zinc/32/17/36/631321736.db2.gz HZXXHUFMZMPFDZ-CJNGLKHVSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000846831247 631321739 /nfs/dbraw/zinc/32/17/39/631321739.db2.gz HZXXHUFMZMPFDZ-CJNGLKHVSA-N 2 2 323.843 3.323 20 0 DGADLP CCOC(C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000846974035 631371444 /nfs/dbraw/zinc/37/14/44/631371444.db2.gz INULJYLFWLWHEV-UHFFFAOYSA-N 2 2 317.433 3.093 20 0 DGADLP CCOC(C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000846974035 631371448 /nfs/dbraw/zinc/37/14/48/631371448.db2.gz INULJYLFWLWHEV-UHFFFAOYSA-N 2 2 317.433 3.093 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575001 631700268 /nfs/dbraw/zinc/70/02/68/631700268.db2.gz KOHKBIDXJCTEKA-RTBURBONSA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575001 631700269 /nfs/dbraw/zinc/70/02/69/631700269.db2.gz KOHKBIDXJCTEKA-RTBURBONSA-N 2 2 318.461 3.166 20 0 DGADLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054392 631821418 /nfs/dbraw/zinc/82/14/18/631821418.db2.gz JDRJIMYOBGPLBN-INIZCTEOSA-N 2 2 322.884 3.343 20 0 DGADLP CCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000849100830 631835526 /nfs/dbraw/zinc/83/55/26/631835526.db2.gz HKCYJCMQENRCNE-MRXNPFEDSA-N 2 2 322.884 3.218 20 0 DGADLP CCCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000849100830 631835530 /nfs/dbraw/zinc/83/55/30/631835530.db2.gz HKCYJCMQENRCNE-MRXNPFEDSA-N 2 2 322.884 3.218 20 0 DGADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000850439134 632153560 /nfs/dbraw/zinc/15/35/60/632153560.db2.gz GGROWYCQIWSMSQ-KBXCAEBGSA-N 2 2 320.502 3.100 20 0 DGADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000850439137 632153585 /nfs/dbraw/zinc/15/35/85/632153585.db2.gz GGROWYCQIWSMSQ-RDTXWAMCSA-N 2 2 320.502 3.100 20 0 DGADLP Cc1sc(C[NH2+]C2CC[NH+](C)CC2)cc1Br ZINC000227781513 656844977 /nfs/dbraw/zinc/84/49/77/656844977.db2.gz HBQRDTCCTDPQJM-UHFFFAOYSA-N 2 2 303.269 3.003 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CCC3CC3)CC2)c(C)[nH+]1 ZINC000996831915 660294990 /nfs/dbraw/zinc/29/49/90/660294990.db2.gz SDFCMUKZSDUMRK-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC000793048179 661001744 /nfs/dbraw/zinc/00/17/44/661001744.db2.gz QJTVYDAKYXVMNL-BZUAXINKSA-N 2 2 320.477 3.270 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1OC ZINC000793048179 661001747 /nfs/dbraw/zinc/00/17/47/661001747.db2.gz QJTVYDAKYXVMNL-BZUAXINKSA-N 2 2 320.477 3.270 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1F ZINC000794836610 661108581 /nfs/dbraw/zinc/10/85/81/661108581.db2.gz RKZLFBOCQWMUND-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1F ZINC000794836610 661108582 /nfs/dbraw/zinc/10/85/82/661108582.db2.gz RKZLFBOCQWMUND-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC000969409149 655544432 /nfs/dbraw/zinc/54/44/32/655544432.db2.gz ZSBUCJMULQOVLC-GOSISDBHSA-N 2 2 323.440 3.011 20 0 DGADLP COCCC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000177952672 655951021 /nfs/dbraw/zinc/95/10/21/655951021.db2.gz GEJSFLSWJLNHOA-MRXNPFEDSA-N 2 2 319.493 3.126 20 0 DGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000328400257 656059137 /nfs/dbraw/zinc/05/91/37/656059137.db2.gz DOFYZZRPHXUEBP-RDJPOBJMSA-N 2 2 300.446 3.121 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000981236307 656655564 /nfs/dbraw/zinc/65/55/64/656655564.db2.gz UXGCFQIFSOAALA-JKSUJKDBSA-N 2 2 303.450 3.046 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000261870567 657150731 /nfs/dbraw/zinc/15/07/31/657150731.db2.gz YZYICNKEGJNPEW-UHFFFAOYSA-N 2 2 304.381 3.482 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001019171968 658613272 /nfs/dbraw/zinc/61/32/72/658613272.db2.gz ZSBUCJMULQOVLC-SFHVURJKSA-N 2 2 323.440 3.011 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164652015 658940101 /nfs/dbraw/zinc/94/01/01/658940101.db2.gz GGNAMNVBMIVRGG-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164652015 658940104 /nfs/dbraw/zinc/94/01/04/658940104.db2.gz GGNAMNVBMIVRGG-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164652015 658940107 /nfs/dbraw/zinc/94/01/07/658940107.db2.gz GGNAMNVBMIVRGG-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164652015 658940109 /nfs/dbraw/zinc/94/01/09/658940109.db2.gz GGNAMNVBMIVRGG-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000164723023 658943291 /nfs/dbraw/zinc/94/32/91/658943291.db2.gz ZVSCAYJIOHFFPH-QUCCMNQESA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000164723023 658943292 /nfs/dbraw/zinc/94/32/92/658943292.db2.gz ZVSCAYJIOHFFPH-QUCCMNQESA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2)cc1 ZINC000164723023 658943293 /nfs/dbraw/zinc/94/32/93/658943293.db2.gz ZVSCAYJIOHFFPH-QUCCMNQESA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2)cc1 ZINC000164723023 658943296 /nfs/dbraw/zinc/94/32/96/658943296.db2.gz ZVSCAYJIOHFFPH-QUCCMNQESA-N 2 2 324.472 3.232 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(Br)c3)C[C@@H]21 ZINC000230045176 659296251 /nfs/dbraw/zinc/29/62/51/659296251.db2.gz LJIUEFYJWWYHKT-GRYCIOLGSA-N 2 2 315.280 3.070 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(Br)c3)C[C@@H]21 ZINC000230045176 659296254 /nfs/dbraw/zinc/29/62/54/659296254.db2.gz LJIUEFYJWWYHKT-GRYCIOLGSA-N 2 2 315.280 3.070 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000069626821 660010063 /nfs/dbraw/zinc/01/00/63/660010063.db2.gz YGDNWGCTERLURN-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000069626821 660010067 /nfs/dbraw/zinc/01/00/67/660010067.db2.gz YGDNWGCTERLURN-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929471360 661310141 /nfs/dbraw/zinc/31/01/41/661310141.db2.gz UIZOQTROMPKYLR-OAHLLOKOSA-N 2 2 318.461 3.016 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929471360 661310143 /nfs/dbraw/zinc/31/01/43/661310143.db2.gz UIZOQTROMPKYLR-OAHLLOKOSA-N 2 2 318.461 3.016 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)[nH]1 ZINC000929991565 661355964 /nfs/dbraw/zinc/35/59/64/661355964.db2.gz GZRMUSQYNKMPLK-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)[nH]1 ZINC000929991565 661355965 /nfs/dbraw/zinc/35/59/65/661355965.db2.gz GZRMUSQYNKMPLK-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C3CC(OCc4ccccc4)C3)C2)[nH]1 ZINC000929992235 661356358 /nfs/dbraw/zinc/35/63/58/661356358.db2.gz OLNJHLNTYYEEGQ-WWDZGPRUSA-N 2 2 311.429 3.337 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C3CC(OCc4ccccc4)C3)C2)[nH]1 ZINC000929992235 661356359 /nfs/dbraw/zinc/35/63/59/661356359.db2.gz OLNJHLNTYYEEGQ-WWDZGPRUSA-N 2 2 311.429 3.337 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000930093459 661366186 /nfs/dbraw/zinc/36/61/86/661366186.db2.gz KVRGUFDDVUNIAC-ZDUSSCGKSA-N 2 2 318.490 3.472 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000930093459 661366189 /nfs/dbraw/zinc/36/61/89/661366189.db2.gz KVRGUFDDVUNIAC-ZDUSSCGKSA-N 2 2 318.490 3.472 20 0 DGADLP CCc1ncc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000930443582 661398634 /nfs/dbraw/zinc/39/86/34/661398634.db2.gz VCUMUCHJPMEQQO-UHFFFAOYSA-N 2 2 322.412 3.107 20 0 DGADLP Clc1ccccc1CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931291276 661464414 /nfs/dbraw/zinc/46/44/14/661464414.db2.gz YIMWQEIVRGSYCB-UHFFFAOYSA-N 2 2 322.880 3.069 20 0 DGADLP Clc1ccccc1CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931291276 661464417 /nfs/dbraw/zinc/46/44/17/661464417.db2.gz YIMWQEIVRGSYCB-UHFFFAOYSA-N 2 2 322.880 3.069 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@]2(C)C1 ZINC000931316793 661466233 /nfs/dbraw/zinc/46/62/33/661466233.db2.gz KMVMEPSWBSBCKJ-KDURUIRLSA-N 2 2 311.429 3.115 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@]2(C)C1 ZINC000931316793 661466235 /nfs/dbraw/zinc/46/62/35/661466235.db2.gz KMVMEPSWBSBCKJ-KDURUIRLSA-N 2 2 311.429 3.115 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](Cc3cnc(-c4ccccc4)o3)C[C@]2(C)C1 ZINC000931316793 661466237 /nfs/dbraw/zinc/46/62/37/661466237.db2.gz KMVMEPSWBSBCKJ-KDURUIRLSA-N 2 2 311.429 3.115 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3cnc(-c4ccccc4)o3)C[C@]2(C)C1 ZINC000931316793 661466239 /nfs/dbraw/zinc/46/62/39/661466239.db2.gz KMVMEPSWBSBCKJ-KDURUIRLSA-N 2 2 311.429 3.115 20 0 DGADLP CSc1ccc(OCC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931312862 661466407 /nfs/dbraw/zinc/46/64/07/661466407.db2.gz ZFEUSTALMQEIAR-ROUUACIJSA-N 2 2 320.502 3.061 20 0 DGADLP CC(C)O[C@H](C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000931313816 661466496 /nfs/dbraw/zinc/46/64/96/661466496.db2.gz GEQHXWPADLNYEC-VAMGGRTRSA-N 2 2 316.489 3.426 20 0 DGADLP COc1cccc(SCC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000931319195 661467076 /nfs/dbraw/zinc/46/70/76/661467076.db2.gz XMOZRYINFWFTBY-QZTJIDSGSA-N 2 2 320.502 3.061 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC000931428566 661475871 /nfs/dbraw/zinc/47/58/71/661475871.db2.gz XRVCCYQXLKOHCY-OLZOCXBDSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC000931428566 661475873 /nfs/dbraw/zinc/47/58/73/661475873.db2.gz XRVCCYQXLKOHCY-OLZOCXBDSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC000931428566 661475874 /nfs/dbraw/zinc/47/58/74/661475874.db2.gz XRVCCYQXLKOHCY-OLZOCXBDSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC000931428566 661475876 /nfs/dbraw/zinc/47/58/76/661475876.db2.gz XRVCCYQXLKOHCY-OLZOCXBDSA-N 2 2 319.499 3.255 20 0 DGADLP CC(C)O[C@@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931519344 661484573 /nfs/dbraw/zinc/48/45/73/661484573.db2.gz VBLQXIIOUBEQIM-IBGZPJMESA-N 2 2 311.429 3.188 20 0 DGADLP CC(C)O[C@@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931519344 661484575 /nfs/dbraw/zinc/48/45/75/661484575.db2.gz VBLQXIIOUBEQIM-IBGZPJMESA-N 2 2 311.429 3.188 20 0 DGADLP CC[C@](O)(C[NH+]1CCC(C)([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000931612485 661492635 /nfs/dbraw/zinc/49/26/35/661492635.db2.gz QEIIOWAURJVHED-HNNXBMFYSA-N 2 2 322.415 3.030 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620026 661493850 /nfs/dbraw/zinc/49/38/50/661493850.db2.gz CPRPWOWIUVDKHZ-LTIDMASMSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620026 661493852 /nfs/dbraw/zinc/49/38/52/661493852.db2.gz CPRPWOWIUVDKHZ-LTIDMASMSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620026 661493853 /nfs/dbraw/zinc/49/38/53/661493853.db2.gz CPRPWOWIUVDKHZ-LTIDMASMSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620026 661493855 /nfs/dbraw/zinc/49/38/55/661493855.db2.gz CPRPWOWIUVDKHZ-LTIDMASMSA-N 2 2 306.400 3.204 20 0 DGADLP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000932685870 661591023 /nfs/dbraw/zinc/59/10/23/661591023.db2.gz VVMLDHMGBKURPH-GOSISDBHSA-N 2 2 321.465 3.107 20 0 DGADLP CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000932685870 661591024 /nfs/dbraw/zinc/59/10/24/661591024.db2.gz VVMLDHMGBKURPH-GOSISDBHSA-N 2 2 321.465 3.107 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000390709797 685204110 /nfs/dbraw/zinc/20/41/10/685204110.db2.gz IXPPJOOJRLSMQT-QGZVFWFLSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000390709797 685204113 /nfs/dbraw/zinc/20/41/13/685204113.db2.gz IXPPJOOJRLSMQT-QGZVFWFLSA-N 2 2 315.486 3.372 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394410 685230189 /nfs/dbraw/zinc/23/01/89/685230189.db2.gz KVPROQVNFIYBQA-MDZLAQPJSA-N 2 2 311.813 3.053 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394410 685230196 /nfs/dbraw/zinc/23/01/96/685230196.db2.gz KVPROQVNFIYBQA-MDZLAQPJSA-N 2 2 311.813 3.053 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398118886 685235833 /nfs/dbraw/zinc/23/58/33/685235833.db2.gz GPGRYOGXQBPSDU-KDOFPFPSSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398118886 685235838 /nfs/dbraw/zinc/23/58/38/685235838.db2.gz GPGRYOGXQBPSDU-KDOFPFPSSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H](C[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001072327260 686902845 /nfs/dbraw/zinc/90/28/45/686902845.db2.gz DSEGXYYOLYVGRR-SUMWQHHRSA-N 2 2 317.477 3.103 20 0 DGADLP C[C@@H]1CCC[C@H]([N@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001576678303 1191861797 /nfs/dbraw/zinc/86/17/97/1191861797.db2.gz MUULJMYHHULFEO-FMKPAKJESA-N 2 2 304.434 3.001 20 0 DGADLP C[C@@H]1CCC[C@H]([N@@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001576678303 1191861799 /nfs/dbraw/zinc/86/17/99/1191861799.db2.gz MUULJMYHHULFEO-FMKPAKJESA-N 2 2 304.434 3.001 20 0 DGADLP CCCC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC001577371732 1191895917 /nfs/dbraw/zinc/89/59/17/1191895917.db2.gz JYKYSDDPSXYEEC-SFHVURJKSA-N 3 2 307.526 3.153 20 0 DGADLP CCCC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC001577371732 1191895920 /nfs/dbraw/zinc/89/59/20/1191895920.db2.gz JYKYSDDPSXYEEC-SFHVURJKSA-N 3 2 307.526 3.153 20 0 DGADLP CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001577590807 1191908416 /nfs/dbraw/zinc/90/84/16/1191908416.db2.gz PDWFLPZFKACSJA-FUHWJXTLSA-N 2 2 320.477 3.141 20 0 DGADLP CC[N@H+](C[C@@H](C[NH3+])C(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710816 1191913433 /nfs/dbraw/zinc/91/34/33/1191913433.db2.gz BXNBHBYCHFRYNN-WOJBJXKFSA-N 3 2 317.521 3.061 20 0 DGADLP CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710816 1191913434 /nfs/dbraw/zinc/91/34/34/1191913434.db2.gz BXNBHBYCHFRYNN-WOJBJXKFSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@@H](C[NH3+])C(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577710816 1191913435 /nfs/dbraw/zinc/91/34/35/1191913435.db2.gz BXNBHBYCHFRYNN-WOJBJXKFSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@@H](C[NH3+])C(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710816 1191913436 /nfs/dbraw/zinc/91/34/36/1191913436.db2.gz BXNBHBYCHFRYNN-WOJBJXKFSA-N 3 2 317.521 3.061 20 0 DGADLP CC[N@H+](C[C@H](C[NH3+])C(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710813 1191913876 /nfs/dbraw/zinc/91/38/76/1191913876.db2.gz BXNBHBYCHFRYNN-PMACEKPBSA-N 3 2 317.521 3.061 20 0 DGADLP CC[N@@H+](C[C@H](C[NH3+])C(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710813 1191913878 /nfs/dbraw/zinc/91/38/78/1191913878.db2.gz BXNBHBYCHFRYNN-PMACEKPBSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@H](C[NH3+])C(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577710813 1191913880 /nfs/dbraw/zinc/91/38/80/1191913880.db2.gz BXNBHBYCHFRYNN-PMACEKPBSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@H](C[NH3+])C(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710813 1191913881 /nfs/dbraw/zinc/91/38/81/1191913881.db2.gz BXNBHBYCHFRYNN-PMACEKPBSA-N 3 2 317.521 3.061 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CCCC2 ZINC001579178751 1191968524 /nfs/dbraw/zinc/96/85/24/1191968524.db2.gz CIVKKGVZSPGVJC-UKPHBRMFSA-N 2 2 318.461 3.201 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001579651068 1191984606 /nfs/dbraw/zinc/98/46/06/1191984606.db2.gz OYJSJDICAZEBDN-OAHLLOKOSA-N 2 2 324.428 3.103 20 0 DGADLP Fc1ccccc1-c1ncc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001580033942 1192004110 /nfs/dbraw/zinc/00/41/10/1192004110.db2.gz DXQKWAIYYUDCHD-QGZVFWFLSA-N 2 2 317.433 3.135 20 0 DGADLP Fc1ccccc1-c1ncc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001580033942 1192004113 /nfs/dbraw/zinc/00/41/13/1192004113.db2.gz DXQKWAIYYUDCHD-QGZVFWFLSA-N 2 2 317.433 3.135 20 0 DGADLP Fc1nccc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001580034810 1192004123 /nfs/dbraw/zinc/00/41/23/1192004123.db2.gz QDBKLSANJYCYNP-ZDUSSCGKSA-N 2 2 311.832 3.086 20 0 DGADLP [NH3+]CC12CCC(CC1)[N@@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC001580250975 1192016074 /nfs/dbraw/zinc/01/60/74/1192016074.db2.gz YAUQZHWLMYEAKY-UHFFFAOYSA-N 2 2 315.244 3.328 20 0 DGADLP [NH3+]CC12CCC(CC1)[N@H+]2CCOc1cc(Cl)cc(Cl)c1 ZINC001580250975 1192016077 /nfs/dbraw/zinc/01/60/77/1192016077.db2.gz YAUQZHWLMYEAKY-UHFFFAOYSA-N 2 2 315.244 3.328 20 0 DGADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253529 1192016235 /nfs/dbraw/zinc/01/62/35/1192016235.db2.gz OIBQMIIFXSQUDW-LPHOPBHVSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253529 1192016237 /nfs/dbraw/zinc/01/62/37/1192016237.db2.gz OIBQMIIFXSQUDW-LPHOPBHVSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254685 1192016308 /nfs/dbraw/zinc/01/63/08/1192016308.db2.gz YZKVIAHOKBRXBE-BONVTDFDSA-N 2 2 307.850 3.263 20 0 DGADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254685 1192016310 /nfs/dbraw/zinc/01/63/10/1192016310.db2.gz YZKVIAHOKBRXBE-BONVTDFDSA-N 2 2 307.850 3.263 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1 ZINC001580895193 1192044713 /nfs/dbraw/zinc/04/47/13/1192044713.db2.gz GKLQYTNQXXRAJQ-GUDVDZBRSA-N 2 2 314.473 3.214 20 0 DGADLP C/C(=C/C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)c1ccco1 ZINC001586300355 1192320220 /nfs/dbraw/zinc/32/02/20/1192320220.db2.gz JOKWBQQYGWEEIF-BENRWUELSA-N 2 2 308.341 3.211 20 0 DGADLP CCO[C@@H](C[NH2+]C/C=C\c1c(C)cc(C)cc1C)C[NH+](C)C ZINC001621064136 1192463602 /nfs/dbraw/zinc/46/36/02/1192463602.db2.gz OHXFNKTXKACBMS-GIFJBRJJSA-N 2 2 304.478 3.181 20 0 DGADLP CC[C@H](C)C[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001691217744 1176398802 /nfs/dbraw/zinc/39/88/02/1176398802.db2.gz VMBASXPCXCGUOI-ZDUSSCGKSA-N 2 2 317.477 3.247 20 0 DGADLP CC[C@H](C)C[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001691217744 1176398809 /nfs/dbraw/zinc/39/88/09/1176398809.db2.gz VMBASXPCXCGUOI-ZDUSSCGKSA-N 2 2 317.477 3.247 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000129461688 1176433089 /nfs/dbraw/zinc/43/30/89/1176433089.db2.gz PRDNICLQTQPYLX-UHFFFAOYSA-N 2 2 317.260 3.194 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000378889622 1176749405 /nfs/dbraw/zinc/74/94/05/1176749405.db2.gz KKHCNXVDYBITOZ-GOSISDBHSA-N 2 2 323.444 3.273 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)CC2 ZINC000378918398 1176754152 /nfs/dbraw/zinc/75/41/52/1176754152.db2.gz NOFBGTXPKICWMI-YJBOKZPZSA-N 2 2 302.462 3.017 20 0 DGADLP CCOC1CC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000395756745 1176766994 /nfs/dbraw/zinc/76/69/94/1176766994.db2.gz HLVRDAVNDGZZPL-UHFFFAOYSA-N 2 2 302.462 3.198 20 0 DGADLP CCOC1CC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000395756745 1176767000 /nfs/dbraw/zinc/76/70/00/1176767000.db2.gz HLVRDAVNDGZZPL-UHFFFAOYSA-N 2 2 302.462 3.198 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110935914 1177876175 /nfs/dbraw/zinc/87/61/75/1177876175.db2.gz QUNBIXAZKLGRQR-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110935914 1177876189 /nfs/dbraw/zinc/87/61/89/1177876189.db2.gz QUNBIXAZKLGRQR-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]cn1C)C2 ZINC001276145061 1177942900 /nfs/dbraw/zinc/94/29/00/1177942900.db2.gz RQOOXVDVJFEYKD-KURKYZTESA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]cn1C)C2 ZINC001276145061 1177942908 /nfs/dbraw/zinc/94/29/08/1177942908.db2.gz RQOOXVDVJFEYKD-KURKYZTESA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001332403935 1178436987 /nfs/dbraw/zinc/43/69/87/1178436987.db2.gz BJIAXDUZHAVRRN-MRXNPFEDSA-N 2 2 317.477 3.247 20 0 DGADLP CCc1onc(C)c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001333852424 1178684892 /nfs/dbraw/zinc/68/48/92/1178684892.db2.gz VQQCHMKSUJBSIM-HNNXBMFYSA-N 2 2 314.433 3.325 20 0 DGADLP CCc1onc(C)c1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001333852424 1178684894 /nfs/dbraw/zinc/68/48/94/1178684894.db2.gz VQQCHMKSUJBSIM-HNNXBMFYSA-N 2 2 314.433 3.325 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC001334742872 1178789691 /nfs/dbraw/zinc/78/96/91/1178789691.db2.gz LKRMLYNGJSERAM-RRQGHBQHSA-N 2 2 306.425 3.235 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001341456676 1179010995 /nfs/dbraw/zinc/01/09/95/1179010995.db2.gz STQXCRSYHZKIAA-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001341456676 1179011002 /nfs/dbraw/zinc/01/10/02/1179011002.db2.gz STQXCRSYHZKIAA-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001344554536 1179450187 /nfs/dbraw/zinc/45/01/87/1179450187.db2.gz BFRVEXDDQRLACA-BDJLRTHQSA-N 2 2 314.433 3.396 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300174046 1180444403 /nfs/dbraw/zinc/44/44/03/1180444403.db2.gz HFNJQTYQQARCSZ-SFHVURJKSA-N 2 2 324.428 3.058 20 0 DGADLP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300174046 1180444407 /nfs/dbraw/zinc/44/44/07/1180444407.db2.gz HFNJQTYQQARCSZ-SFHVURJKSA-N 2 2 324.428 3.058 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1)c1ccccc1 ZINC001353974945 1180697884 /nfs/dbraw/zinc/69/78/84/1180697884.db2.gz FHVMMTJLNVMTHP-QCEMKRCNSA-N 2 2 312.417 3.101 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459939705 1182631183 /nfs/dbraw/zinc/63/11/83/1182631183.db2.gz UYEMHSXPJQYFOM-OCCSQVGLSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459939705 1182631186 /nfs/dbraw/zinc/63/11/86/1182631186.db2.gz UYEMHSXPJQYFOM-OCCSQVGLSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)n1 ZINC001460749705 1182716267 /nfs/dbraw/zinc/71/62/67/1182716267.db2.gz RJKBVPOENGSUMZ-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)n1 ZINC001460749705 1182716272 /nfs/dbraw/zinc/71/62/72/1182716272.db2.gz RJKBVPOENGSUMZ-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)n1 ZINC001460749705 1182716276 /nfs/dbraw/zinc/71/62/76/1182716276.db2.gz RJKBVPOENGSUMZ-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)n1 ZINC001460749705 1182716283 /nfs/dbraw/zinc/71/62/83/1182716283.db2.gz RJKBVPOENGSUMZ-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@]34CCCOC4)cc2)c[nH+]1 ZINC001460982752 1182751077 /nfs/dbraw/zinc/75/10/77/1182751077.db2.gz YUSSOUMCDAHLIM-LJQANCHMSA-N 2 2 311.429 3.407 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@]34CCCOC4)cc2)c[nH+]1 ZINC001460982752 1182751084 /nfs/dbraw/zinc/75/10/84/1182751084.db2.gz YUSSOUMCDAHLIM-LJQANCHMSA-N 2 2 311.429 3.407 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC001461233704 1182783114 /nfs/dbraw/zinc/78/31/14/1182783114.db2.gz RTCHVXYGRFVPQO-UHFFFAOYSA-N 2 2 309.417 3.152 20 0 DGADLP CCCn1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)n1 ZINC001461553099 1182827057 /nfs/dbraw/zinc/82/70/57/1182827057.db2.gz VIINANHVTGYNAJ-UHFFFAOYSA-N 2 2 323.444 3.136 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)C[NH+](C)C ZINC001461743341 1182850098 /nfs/dbraw/zinc/85/00/98/1182850098.db2.gz SYDOWCRXOSXMPQ-IBGZPJMESA-N 2 2 320.477 3.064 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCC(C)(C)CO)C[N@@H+]1Cc1ccccc1 ZINC001462275132 1182932280 /nfs/dbraw/zinc/93/22/80/1182932280.db2.gz PSGZYKVPBXKHIG-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCC(C)(C)CO)C[N@H+]1Cc1ccccc1 ZINC001462275132 1182932283 /nfs/dbraw/zinc/93/22/83/1182932283.db2.gz PSGZYKVPBXKHIG-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001462430943 1182951921 /nfs/dbraw/zinc/95/19/21/1182951921.db2.gz VRQABSYTHIWEFR-XSLAGTTESA-N 2 2 306.494 3.044 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc(C)[nH+]1 ZINC001472859346 1183691204 /nfs/dbraw/zinc/69/12/04/1183691204.db2.gz GEPFQNZKRSDFCB-QGZVFWFLSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc(C)[nH+]1 ZINC001472859346 1183691206 /nfs/dbraw/zinc/69/12/06/1183691206.db2.gz GEPFQNZKRSDFCB-QGZVFWFLSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)nc(C)[nH+]1 ZINC001472900160 1183697643 /nfs/dbraw/zinc/69/76/43/1183697643.db2.gz LNVULWAGOBRWAP-IAGOWNOFSA-N 2 2 302.466 3.047 20 0 DGADLP CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)nc(C)[nH+]1 ZINC001472900163 1183697927 /nfs/dbraw/zinc/69/79/27/1183697927.db2.gz LNVULWAGOBRWAP-SJORKVTESA-N 2 2 302.466 3.047 20 0 DGADLP CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)nc(C)[nH+]1 ZINC001472900159 1183698132 /nfs/dbraw/zinc/69/81/32/1183698132.db2.gz LNVULWAGOBRWAP-DLBZAZTESA-N 2 2 302.466 3.047 20 0 DGADLP CC(C)COC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001473221272 1183731811 /nfs/dbraw/zinc/73/18/11/1183731811.db2.gz BSHOUPOLTKPAGI-QGZVFWFLSA-N 2 2 324.509 3.162 20 0 DGADLP CC(C)COC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001473221272 1183731815 /nfs/dbraw/zinc/73/18/15/1183731815.db2.gz BSHOUPOLTKPAGI-QGZVFWFLSA-N 2 2 324.509 3.162 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)COCc1ccccc1 ZINC001473217972 1183732392 /nfs/dbraw/zinc/73/23/92/1183732392.db2.gz UOWCATKMHXBVDM-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)COCc1ccccc1 ZINC001473217972 1183732395 /nfs/dbraw/zinc/73/23/95/1183732395.db2.gz UOWCATKMHXBVDM-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)COCc1ccccc1 ZINC001473217972 1183732396 /nfs/dbraw/zinc/73/23/96/1183732396.db2.gz UOWCATKMHXBVDM-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)COCc1ccccc1 ZINC001473217972 1183732397 /nfs/dbraw/zinc/73/23/97/1183732397.db2.gz UOWCATKMHXBVDM-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1CC(C)(C)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554706 1183772774 /nfs/dbraw/zinc/77/27/74/1183772774.db2.gz MYBJRTVZWRPWHD-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1CC(C)(C)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554706 1183772778 /nfs/dbraw/zinc/77/27/78/1183772778.db2.gz MYBJRTVZWRPWHD-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1CC(C)(C)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473554706 1183772784 /nfs/dbraw/zinc/77/27/84/1183772784.db2.gz MYBJRTVZWRPWHD-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1CC(C)(C)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473554706 1183772789 /nfs/dbraw/zinc/77/27/89/1183772789.db2.gz MYBJRTVZWRPWHD-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554705 1183773307 /nfs/dbraw/zinc/77/33/07/1183773307.db2.gz MYBJRTVZWRPWHD-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554705 1183773308 /nfs/dbraw/zinc/77/33/08/1183773308.db2.gz MYBJRTVZWRPWHD-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473554705 1183773312 /nfs/dbraw/zinc/77/33/12/1183773312.db2.gz MYBJRTVZWRPWHD-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473554705 1183773318 /nfs/dbraw/zinc/77/33/18/1183773318.db2.gz MYBJRTVZWRPWHD-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH2+]C3CCOCC3)CC1)CC2 ZINC001473794192 1183802535 /nfs/dbraw/zinc/80/25/35/1183802535.db2.gz ZTDFOEPJLVKBGA-LJQANCHMSA-N 2 2 318.436 3.046 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC001473908492 1183825823 /nfs/dbraw/zinc/82/58/23/1183825823.db2.gz GXBQPCLFXDCLNP-UHFFFAOYSA-N 2 2 320.477 3.450 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001473918773 1183827148 /nfs/dbraw/zinc/82/71/48/1183827148.db2.gz BEZNPUHPFUWSMQ-UHFFFAOYSA-N 2 2 313.445 3.206 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001473931280 1183831632 /nfs/dbraw/zinc/83/16/32/1183831632.db2.gz IXVGWKRYDRGMAA-BHIYHBOVSA-N 2 2 308.510 3.293 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001473931280 1183831640 /nfs/dbraw/zinc/83/16/40/1183831640.db2.gz IXVGWKRYDRGMAA-BHIYHBOVSA-N 2 2 308.510 3.293 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC001474010746 1183850005 /nfs/dbraw/zinc/85/00/05/1183850005.db2.gz WHGDYZYCWSIYFF-VAMGGRTRSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC001474010746 1183850011 /nfs/dbraw/zinc/85/00/11/1183850011.db2.gz WHGDYZYCWSIYFF-VAMGGRTRSA-N 2 2 316.489 3.446 20 0 DGADLP FC(F)Oc1ccccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001474034937 1183855259 /nfs/dbraw/zinc/85/52/59/1183855259.db2.gz LQAAYHOIKJWPLF-UHFFFAOYSA-N 2 2 307.344 3.275 20 0 DGADLP CCOc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n1 ZINC001474101136 1183867478 /nfs/dbraw/zinc/86/74/78/1183867478.db2.gz JGPGHFQAHQAPJL-UHFFFAOYSA-N 2 2 317.477 3.225 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC001474194802 1183880275 /nfs/dbraw/zinc/88/02/75/1183880275.db2.gz BJNSUQIWYWAFIN-RTBURBONSA-N 2 2 301.478 3.387 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC001474194802 1183880283 /nfs/dbraw/zinc/88/02/83/1183880283.db2.gz BJNSUQIWYWAFIN-RTBURBONSA-N 2 2 301.478 3.387 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC001474386474 1183913506 /nfs/dbraw/zinc/91/35/06/1183913506.db2.gz PHZXTMFFCIOCNQ-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccnc2N)CC[N@H+]1Cc1ccccc1 ZINC001474386474 1183913508 /nfs/dbraw/zinc/91/35/08/1183913508.db2.gz PHZXTMFFCIOCNQ-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386474 1183913510 /nfs/dbraw/zinc/91/35/10/1183913510.db2.gz PHZXTMFFCIOCNQ-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386474 1183913511 /nfs/dbraw/zinc/91/35/11/1183913511.db2.gz PHZXTMFFCIOCNQ-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001480507419 1184540215 /nfs/dbraw/zinc/54/02/15/1184540215.db2.gz NKGQJGJQOCXQEN-CJNGLKHVSA-N 2 2 319.493 3.397 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1Br ZINC000070181552 1195850583 /nfs/dbraw/zinc/85/05/83/1195850583.db2.gz MVPZEARDDWWUKK-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1Br ZINC000070181552 1195850588 /nfs/dbraw/zinc/85/05/88/1195850588.db2.gz MVPZEARDDWWUKK-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C(C)C)c(C)[nH+]1 ZINC001496580553 1185216340 /nfs/dbraw/zinc/21/63/40/1185216340.db2.gz CNOGHDZLGDIFMD-LQYUOIDQSA-N 2 2 323.868 3.103 20 0 DGADLP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497213647 1185297473 /nfs/dbraw/zinc/29/74/73/1185297473.db2.gz CZVJCBCDCVJQTL-CYBMUJFWSA-N 2 2 316.449 3.097 20 0 DGADLP CCCCC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001497232533 1185300481 /nfs/dbraw/zinc/30/04/81/1185300481.db2.gz FOUYYLTZWNSAAN-AWEZNQCLSA-N 2 2 305.466 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001498342802 1185473603 /nfs/dbraw/zinc/47/36/03/1185473603.db2.gz JSZLWVCUOAZTRU-VXKCQOAXSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001498342802 1185473612 /nfs/dbraw/zinc/47/36/12/1185473612.db2.gz JSZLWVCUOAZTRU-VXKCQOAXSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(F)cc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]1 ZINC001515362757 1186756198 /nfs/dbraw/zinc/75/61/98/1186756198.db2.gz SATDQWVCJRJKAG-UHFFFAOYSA-N 2 2 300.381 3.001 20 0 DGADLP CC[NH+](CC)CC[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001613082465 1193467175 /nfs/dbraw/zinc/46/71/75/1193467175.db2.gz AISWRKFONULKRT-AWEZNQCLSA-N 2 2 311.433 3.415 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001656568772 1196050786 /nfs/dbraw/zinc/05/07/86/1196050786.db2.gz BBJWFRANEUAHEN-UHFFFAOYSA-N 2 2 311.901 3.474 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001656568772 1196050788 /nfs/dbraw/zinc/05/07/88/1196050788.db2.gz BBJWFRANEUAHEN-UHFFFAOYSA-N 2 2 311.901 3.474 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@H](c3ccccc3F)C2)CCO1 ZINC001548920262 1188480655 /nfs/dbraw/zinc/48/06/55/1188480655.db2.gz KNHXDXUFFMKJMA-XIVBQZFQSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@H]([NH3+])[C@H](c3ccccc3F)C2)CCO1 ZINC001548920262 1188480660 /nfs/dbraw/zinc/48/06/60/1188480660.db2.gz KNHXDXUFFMKJMA-XIVBQZFQSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3F)C2)CCO1 ZINC001548920260 1188481133 /nfs/dbraw/zinc/48/11/33/1188481133.db2.gz KNHXDXUFFMKJMA-JZGRTCEGSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3F)C2)CCO1 ZINC001548920260 1188481136 /nfs/dbraw/zinc/48/11/36/1188481136.db2.gz KNHXDXUFFMKJMA-JZGRTCEGSA-N 2 2 320.452 3.003 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH+]2C[C@H]3[C@H](C2)C2CCC3CC2)s1 ZINC001549374639 1188516198 /nfs/dbraw/zinc/51/61/98/1188516198.db2.gz XTSQCEOOAQBRBP-BCAXMMLOSA-N 2 2 305.491 3.073 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549556522 1188527233 /nfs/dbraw/zinc/52/72/33/1188527233.db2.gz GNZRNWKVLANKHM-ROUUACIJSA-N 2 2 323.440 3.290 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001549583241 1188528141 /nfs/dbraw/zinc/52/81/41/1188528141.db2.gz DTNDQKYXRMDOMW-LBPRGKRZSA-N 2 2 305.809 3.159 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130518 1188584260 /nfs/dbraw/zinc/58/42/60/1188584260.db2.gz XZINDUHWVGMYPW-GJZGRUSLSA-N 2 2 305.466 3.193 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130518 1188584263 /nfs/dbraw/zinc/58/42/63/1188584263.db2.gz XZINDUHWVGMYPW-GJZGRUSLSA-N 2 2 305.466 3.193 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]([NH3+])C(C)(C)C)cc2)[nH+]c1C ZINC001550218057 1188594851 /nfs/dbraw/zinc/59/48/51/1188594851.db2.gz JTBFPMLIXGFLNN-AWEZNQCLSA-N 2 2 300.406 3.005 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC001550298361 1188600568 /nfs/dbraw/zinc/60/05/68/1188600568.db2.gz HOASKNHUQDLRSW-MRXNPFEDSA-N 2 2 310.445 3.158 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001550298361 1188600569 /nfs/dbraw/zinc/60/05/69/1188600569.db2.gz HOASKNHUQDLRSW-MRXNPFEDSA-N 2 2 310.445 3.158 20 0 DGADLP C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515882 1193572047 /nfs/dbraw/zinc/57/20/47/1193572047.db2.gz NKXXIQCGOPYJBU-FXAWDEMLSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515882 1193572050 /nfs/dbraw/zinc/57/20/50/1193572050.db2.gz NKXXIQCGOPYJBU-FXAWDEMLSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001617515882 1193572052 /nfs/dbraw/zinc/57/20/52/1193572052.db2.gz NKXXIQCGOPYJBU-FXAWDEMLSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001617515882 1193572056 /nfs/dbraw/zinc/57/20/56/1193572056.db2.gz NKXXIQCGOPYJBU-FXAWDEMLSA-N 2 2 318.505 3.380 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541570 1188622459 /nfs/dbraw/zinc/62/24/59/1188622459.db2.gz ZQDOMJVBEPWJJD-HUUCEWRRSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541570 1188622464 /nfs/dbraw/zinc/62/24/64/1188622464.db2.gz ZQDOMJVBEPWJJD-HUUCEWRRSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541570 1188622469 /nfs/dbraw/zinc/62/24/69/1188622469.db2.gz ZQDOMJVBEPWJJD-HUUCEWRRSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541570 1188622472 /nfs/dbraw/zinc/62/24/72/1188622472.db2.gz ZQDOMJVBEPWJJD-HUUCEWRRSA-N 2 2 305.491 3.184 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](C2CC2)CC1 ZINC001551025730 1188685926 /nfs/dbraw/zinc/68/59/26/1188685926.db2.gz IIPFYUFQXXJCRM-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](C2CC2)CC1 ZINC001551025730 1188685929 /nfs/dbraw/zinc/68/59/29/1188685929.db2.gz IIPFYUFQXXJCRM-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001559121211 1189172689 /nfs/dbraw/zinc/17/26/89/1189172689.db2.gz MUUQJCBCFITKQO-KBPBESRZSA-N 2 2 309.417 3.167 20 0 DGADLP Cc1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC001559265730 1189188893 /nfs/dbraw/zinc/18/88/93/1189188893.db2.gz ZFEUJYZMBNZIFF-GOSISDBHSA-N 2 2 322.456 3.073 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001559524683 1189213231 /nfs/dbraw/zinc/21/32/31/1189213231.db2.gz MHRYJGPTYQPYOY-BZSNNMDCSA-N 2 2 324.509 3.162 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001559524683 1189213236 /nfs/dbraw/zinc/21/32/36/1189213236.db2.gz MHRYJGPTYQPYOY-BZSNNMDCSA-N 2 2 324.509 3.162 20 0 DGADLP COc1nscc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001559744884 1189237684 /nfs/dbraw/zinc/23/76/84/1189237684.db2.gz ZEALSVVLZZKVAN-UHFFFAOYSA-N 2 2 320.462 3.041 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC001560234647 1189295781 /nfs/dbraw/zinc/29/57/81/1189295781.db2.gz LHUIUZHHMFEKMZ-MRXNPFEDSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC001560234647 1189295784 /nfs/dbraw/zinc/29/57/84/1189295784.db2.gz LHUIUZHHMFEKMZ-MRXNPFEDSA-N 2 2 305.466 3.244 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560345922 1189314685 /nfs/dbraw/zinc/31/46/85/1189314685.db2.gz CAFINKSZFMCDNY-JTQLQIEISA-N 2 2 302.403 3.389 20 0 DGADLP C[NH+](C)C1(C[NH2+]CCc2cccc(OC(F)(F)F)c2)CCC1 ZINC001560763135 1189376798 /nfs/dbraw/zinc/37/67/98/1189376798.db2.gz DSFUNTASHPEAIQ-UHFFFAOYSA-N 2 2 316.367 3.202 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)ccc1-n1cc[nH+]c1 ZINC001565582213 1189657235 /nfs/dbraw/zinc/65/72/35/1189657235.db2.gz MGHLZQRNOPRYMD-AEFFLSMTSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)ccc1-n1cc[nH+]c1 ZINC001565582213 1189657240 /nfs/dbraw/zinc/65/72/40/1189657240.db2.gz MGHLZQRNOPRYMD-AEFFLSMTSA-N 2 2 324.428 3.136 20 0 DGADLP C/C(=C\c1ccncc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001565777983 1189669851 /nfs/dbraw/zinc/66/98/51/1189669851.db2.gz GKOAMYRTSTZWIM-ACCUITESSA-N 2 2 319.368 3.013 20 0 DGADLP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568491332 1190543310 /nfs/dbraw/zinc/54/33/10/1190543310.db2.gz OSAVPMLUSQWQEE-CYBMUJFWSA-N 2 2 305.466 3.057 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568491332 1190543313 /nfs/dbraw/zinc/54/33/13/1190543313.db2.gz OSAVPMLUSQWQEE-CYBMUJFWSA-N 2 2 305.466 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001568892169 1190597513 /nfs/dbraw/zinc/59/75/13/1190597513.db2.gz UCTDPQKMULIXCI-BQYQJAHWSA-N 2 2 323.440 3.083 20 0 DGADLP Brc1ccccc1CCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001574447824 1191444619 /nfs/dbraw/zinc/44/46/19/1191444619.db2.gz DGZYQGOVAFPZBX-UHFFFAOYSA-N 2 2 323.278 3.210 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001576150270 1191533038 /nfs/dbraw/zinc/53/30/38/1191533038.db2.gz WUFLEHYFVQVUHT-ZDUSSCGKSA-N 2 2 320.383 3.323 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001576150270 1191533039 /nfs/dbraw/zinc/53/30/39/1191533039.db2.gz WUFLEHYFVQVUHT-ZDUSSCGKSA-N 2 2 320.383 3.323 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OC ZINC001620696596 1193792478 /nfs/dbraw/zinc/79/24/78/1193792478.db2.gz FDIWEOCFYDZSRP-OAHLLOKOSA-N 2 2 317.433 3.249 20 0 DGADLP CC(C)[C@@H](CNCc1cccc2[nH+]ccn21)[NH+]1CCCCCC1 ZINC001620713107 1193793645 /nfs/dbraw/zinc/79/36/45/1193793645.db2.gz SXBRXWBXBQCBDK-GOSISDBHSA-N 2 2 314.477 3.325 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccn2)n1C ZINC001621094547 1193801562 /nfs/dbraw/zinc/80/15/62/1193801562.db2.gz FAELUFBUGRVVJY-IBGZPJMESA-N 2 2 306.413 3.197 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC001621148653 1193808768 /nfs/dbraw/zinc/80/87/68/1193808768.db2.gz PNEUNEKOAFELMH-HNNXBMFYSA-N 2 2 308.441 3.388 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC001621148653 1193808769 /nfs/dbraw/zinc/80/87/69/1193808769.db2.gz PNEUNEKOAFELMH-HNNXBMFYSA-N 2 2 308.441 3.388 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000052049999 1194673962 /nfs/dbraw/zinc/67/39/62/1194673962.db2.gz NDSZXUDBUMQDOG-UHFFFAOYSA-N 2 2 304.478 3.488 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654111 1194865210 /nfs/dbraw/zinc/86/52/10/1194865210.db2.gz YYTSLYBWCANKRX-LJQANCHMSA-N 2 2 318.505 3.043 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654111 1194865212 /nfs/dbraw/zinc/86/52/12/1194865212.db2.gz YYTSLYBWCANKRX-LJQANCHMSA-N 2 2 318.505 3.043 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654111 1194865214 /nfs/dbraw/zinc/86/52/14/1194865214.db2.gz YYTSLYBWCANKRX-LJQANCHMSA-N 2 2 318.505 3.043 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654111 1194865216 /nfs/dbraw/zinc/86/52/16/1194865216.db2.gz YYTSLYBWCANKRX-LJQANCHMSA-N 2 2 318.505 3.043 20 0 DGADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001643487222 1195028278 /nfs/dbraw/zinc/02/82/78/1195028278.db2.gz SXFZGVZLOWEWQX-CEXWTWQISA-N 2 2 315.505 3.175 20 0 DGADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001643487222 1195028284 /nfs/dbraw/zinc/02/82/84/1195028284.db2.gz SXFZGVZLOWEWQX-CEXWTWQISA-N 2 2 315.505 3.175 20 0 DGADLP Cc1cc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c2ccccc2n1 ZINC001644041929 1195075638 /nfs/dbraw/zinc/07/56/38/1195075638.db2.gz JZVBAYQINLMIHR-WOJBJXKFSA-N 2 2 309.457 3.317 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001644207869 1195090154 /nfs/dbraw/zinc/09/01/54/1195090154.db2.gz DIHYEXQBBKDZAY-HUUCEWRRSA-N 2 2 324.428 3.058 20 0 DGADLP Cc1cccc2cc(C[NH2+]CCn3cc[nH+]c3)c(Cl)nc12 ZINC001648698537 1195323395 /nfs/dbraw/zinc/32/33/95/1195323395.db2.gz RRUIVMDIDYWYPL-UHFFFAOYSA-N 2 2 300.793 3.183 20 0 DGADLP CCc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)nc(CC)[nH+]1 ZINC001651278564 1195436777 /nfs/dbraw/zinc/43/67/77/1195436777.db2.gz SBAHVQBZOSLSFQ-MRXNPFEDSA-N 2 2 316.424 3.455 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC001651742306 1195504797 /nfs/dbraw/zinc/50/47/97/1195504797.db2.gz OTTLJOKYTGKREA-IBGZPJMESA-N 2 2 324.472 3.098 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001652459890 1195600036 /nfs/dbraw/zinc/60/00/36/1195600036.db2.gz MTIJHFOIEYNFII-CVEARBPZSA-N 2 2 303.450 3.039 20 0 DGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001653532074 1195731234 /nfs/dbraw/zinc/73/12/34/1195731234.db2.gz BZTUMUSBKPVZQX-MRXNPFEDSA-N 2 2 321.896 3.194 20 0 DGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001653532074 1195731237 /nfs/dbraw/zinc/73/12/37/1195731237.db2.gz BZTUMUSBKPVZQX-MRXNPFEDSA-N 2 2 321.896 3.194 20 0 DGADLP Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1C ZINC000069747565 1195817573 /nfs/dbraw/zinc/81/75/73/1195817573.db2.gz KMYFAEGSRQXAGC-UHFFFAOYSA-N 2 2 324.468 3.425 20 0 DGADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123959 1195879928 /nfs/dbraw/zinc/87/99/28/1195879928.db2.gz YUIREFLHPORCTL-MAUKXSAKSA-N 2 2 305.466 3.195 20 0 DGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C[C@@H]1CC1(C)C ZINC001655184479 1195888402 /nfs/dbraw/zinc/88/84/02/1195888402.db2.gz QEPWJWZPISNHFT-SFHVURJKSA-N 2 2 315.505 3.177 20 0 DGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C[C@@H]1CC1(C)C ZINC001655184479 1195888405 /nfs/dbraw/zinc/88/84/05/1195888405.db2.gz QEPWJWZPISNHFT-SFHVURJKSA-N 2 2 315.505 3.177 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC001655203969 1195890521 /nfs/dbraw/zinc/89/05/21/1195890521.db2.gz LJARYEOOIMVNHW-MRXNPFEDSA-N 2 2 323.506 3.206 20 0 DGADLP CN(c1ccc([NH2+]C[C@@H]2CCCOC2)cc1)C1CC[NH+](C)CC1 ZINC001655343247 1195905642 /nfs/dbraw/zinc/90/56/42/1195905642.db2.gz ROXSYYPTBXNMEN-INIZCTEOSA-N 2 2 317.477 3.056 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)C2 ZINC001655396894 1195911892 /nfs/dbraw/zinc/91/18/92/1195911892.db2.gz JKXIYEHQHIUULT-KRWDZBQOSA-N 2 2 313.445 3.209 20 0 DGADLP O=c1[nH]c2cccc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)c2o1 ZINC001655423709 1195914772 /nfs/dbraw/zinc/91/47/72/1195914772.db2.gz DUKRPDIKZUDRAJ-UHFFFAOYSA-N 2 2 320.352 3.009 20 0 DGADLP CCOc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001655739278 1195958422 /nfs/dbraw/zinc/95/84/22/1195958422.db2.gz AZDOFSNFNSSQFH-UHFFFAOYSA-N 2 2 317.477 3.367 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC001655956116 1195982912 /nfs/dbraw/zinc/98/29/12/1195982912.db2.gz ZAZJKHFKKGHDJC-SOUVJXGZSA-N 2 2 302.466 3.476 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC001655956116 1195982914 /nfs/dbraw/zinc/98/29/14/1195982914.db2.gz ZAZJKHFKKGHDJC-SOUVJXGZSA-N 2 2 302.466 3.476 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001656061843 1195993313 /nfs/dbraw/zinc/99/33/13/1195993313.db2.gz JELPZSDIJXIAAC-IRXDYDNUSA-N 2 2 315.505 3.418 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(F)c(F)c2F)CCCC1 ZINC001656064090 1195994100 /nfs/dbraw/zinc/99/41/00/1195994100.db2.gz ROTBBBKQBPVGGJ-UHFFFAOYSA-N 2 2 300.368 3.316 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCc3ccc4c(c3)CCO4)cc2)c[nH+]1 ZINC001656083601 1195996702 /nfs/dbraw/zinc/99/67/02/1195996702.db2.gz VZDXLWXYPDUQDI-UHFFFAOYSA-N 2 2 319.408 3.140 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4nccnc4c3)cc2)c[nH+]1 ZINC001656258117 1196023922 /nfs/dbraw/zinc/02/39/22/1196023922.db2.gz DWKXPWVNEFHRCI-UHFFFAOYSA-N 2 2 315.380 3.105 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC001656506478 1196045191 /nfs/dbraw/zinc/04/51/91/1196045191.db2.gz PFDKOPJQGGILHM-OALUTQOASA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC001656506478 1196045196 /nfs/dbraw/zinc/04/51/96/1196045196.db2.gz PFDKOPJQGGILHM-OALUTQOASA-N 2 2 311.429 3.406 20 0 DGADLP CSc1ccc(F)cc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001656605231 1196053989 /nfs/dbraw/zinc/05/39/89/1196053989.db2.gz UORFGZIJJIXIJU-UHFFFAOYSA-N 2 2 305.422 3.298 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656698220 1196063122 /nfs/dbraw/zinc/06/31/22/1196063122.db2.gz KDYKBQHTPCKLOB-KRWDZBQOSA-N 2 2 313.426 3.065 20 0 DGADLP COc1ccsc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001656844790 1196075480 /nfs/dbraw/zinc/07/54/80/1196075480.db2.gz MGBPWEBYSGOGGJ-OAHLLOKOSA-N 2 2 313.426 3.484 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC001657731969 1196172892 /nfs/dbraw/zinc/17/28/92/1196172892.db2.gz WVNWGBJCUQVZLP-OAHLLOKOSA-N 2 2 312.404 3.479 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC001657731969 1196172890 /nfs/dbraw/zinc/17/28/90/1196172890.db2.gz WVNWGBJCUQVZLP-OAHLLOKOSA-N 2 2 312.404 3.479 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000073621969 1196172913 /nfs/dbraw/zinc/17/29/13/1196172913.db2.gz RRMFCAUARIGNGE-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1cccc2c1CCOC2 ZINC001658007554 1196201318 /nfs/dbraw/zinc/20/13/18/1196201318.db2.gz FUQKEHXXJVIOEA-IBGZPJMESA-N 2 2 316.489 3.359 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2ccns2)C[N@@H+]1Cc1ccccc1 ZINC001658500273 1196266053 /nfs/dbraw/zinc/26/60/53/1196266053.db2.gz CLVYMPFNHGWOED-MRXNPFEDSA-N 2 2 315.486 3.328 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2ccns2)C[N@H+]1Cc1ccccc1 ZINC001658500273 1196266056 /nfs/dbraw/zinc/26/60/56/1196266056.db2.gz CLVYMPFNHGWOED-MRXNPFEDSA-N 2 2 315.486 3.328 20 0 DGADLP CCCCC[N@H+](CC[NH2+][C@@H]1C[C@@H]2COC[C@H]12)Cc1ccccc1 ZINC001659604892 1196399179 /nfs/dbraw/zinc/39/91/79/1196399179.db2.gz RYRDTCPVGYJLCJ-HSALFYBXSA-N 2 2 316.489 3.303 20 0 DGADLP CCCCC[N@@H+](CC[NH2+][C@@H]1C[C@@H]2COC[C@H]12)Cc1ccccc1 ZINC001659604892 1196399182 /nfs/dbraw/zinc/39/91/82/1196399182.db2.gz RYRDTCPVGYJLCJ-HSALFYBXSA-N 2 2 316.489 3.303 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC001659669954 1196404455 /nfs/dbraw/zinc/40/44/55/1196404455.db2.gz MZNNRKFYKSVBJX-CQSZACIVSA-N 2 2 311.267 3.066 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC001659669954 1196404457 /nfs/dbraw/zinc/40/44/57/1196404457.db2.gz MZNNRKFYKSVBJX-CQSZACIVSA-N 2 2 311.267 3.066 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000075799817 1196422962 /nfs/dbraw/zinc/42/29/62/1196422962.db2.gz FKEMOTCWKJYABQ-GFCCVEGCSA-N 2 2 316.405 3.324 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000075810022 1196424407 /nfs/dbraw/zinc/42/44/07/1196424407.db2.gz KHPACZDDNIQHRN-VQIMIIECSA-N 2 2 302.462 3.187 20 0 DGADLP Cc1n[nH]c(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001660238676 1196461018 /nfs/dbraw/zinc/46/10/18/1196461018.db2.gz RNZWZLIRYYLPGF-OAHLLOKOSA-N 2 2 315.465 3.358 20 0 DGADLP Cc1n[nH]c(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001660238676 1196461019 /nfs/dbraw/zinc/46/10/19/1196461019.db2.gz RNZWZLIRYYLPGF-OAHLLOKOSA-N 2 2 315.465 3.358 20 0 DGADLP CCC[C@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660343105 1196473506 /nfs/dbraw/zinc/47/35/06/1196473506.db2.gz OJJJOAMLVLLXSZ-SFHVURJKSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[C@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660343105 1196473509 /nfs/dbraw/zinc/47/35/09/1196473509.db2.gz OJJJOAMLVLLXSZ-SFHVURJKSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[C@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001660343105 1196473512 /nfs/dbraw/zinc/47/35/12/1196473512.db2.gz OJJJOAMLVLLXSZ-SFHVURJKSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[C@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001660343105 1196473513 /nfs/dbraw/zinc/47/35/13/1196473513.db2.gz OJJJOAMLVLLXSZ-SFHVURJKSA-N 2 2 304.478 3.400 20 0 DGADLP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001660517192 1196493228 /nfs/dbraw/zinc/49/32/28/1196493228.db2.gz RZTNLXBRGGHWKR-RMXPPQQLSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001660517192 1196493239 /nfs/dbraw/zinc/49/32/39/1196493239.db2.gz RZTNLXBRGGHWKR-RMXPPQQLSA-N 2 2 322.493 3.105 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC001660678143 1196511111 /nfs/dbraw/zinc/51/11/11/1196511111.db2.gz VTYCIKCSWOFWAF-OAHLLOKOSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC001660678143 1196511114 /nfs/dbraw/zinc/51/11/14/1196511114.db2.gz VTYCIKCSWOFWAF-OAHLLOKOSA-N 2 2 305.466 3.387 20 0 DGADLP COCC[C@@H](c1ccccc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001660672062 1196511250 /nfs/dbraw/zinc/51/12/50/1196511250.db2.gz OQAOMUHSTLJFSS-SFHVURJKSA-N 2 2 313.445 3.377 20 0 DGADLP CCc1cc(OC)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC001660850528 1196534933 /nfs/dbraw/zinc/53/49/33/1196534933.db2.gz VPYMXDYIDPEFKG-UHFFFAOYSA-N 2 2 302.462 3.364 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001660880210 1196538079 /nfs/dbraw/zinc/53/80/79/1196538079.db2.gz UWKVOSGDQIDYTK-MOPGFXCFSA-N 2 2 313.445 3.225 20 0 DGADLP CCOc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(Cl)c1OC ZINC001660889046 1196539428 /nfs/dbraw/zinc/53/94/28/1196539428.db2.gz SQRACXFSPCTOTI-GFCCVEGCSA-N 2 2 323.824 3.122 20 0 DGADLP C[C@@H](COc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001661164372 1196574764 /nfs/dbraw/zinc/57/47/64/1196574764.db2.gz DPSKUZWZFBZNKP-AWEZNQCLSA-N 2 2 313.426 3.491 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001661350822 1196596877 /nfs/dbraw/zinc/59/68/77/1196596877.db2.gz GDTLMVZQSSTDIH-CQSZACIVSA-N 2 2 307.507 3.232 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001661350822 1196596880 /nfs/dbraw/zinc/59/68/80/1196596880.db2.gz GDTLMVZQSSTDIH-CQSZACIVSA-N 2 2 307.507 3.232 20 0 DGADLP OCCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000077466915 1196599530 /nfs/dbraw/zinc/59/95/30/1196599530.db2.gz RTNDNXNGVAGYET-FQEVSTJZSA-N 2 2 321.424 3.476 20 0 DGADLP c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001661656767 1196628616 /nfs/dbraw/zinc/62/86/16/1196628616.db2.gz LDODHIFNWKXHEM-UHFFFAOYSA-N 2 2 324.472 3.369 20 0 DGADLP C[C@@H]([NH2+]Cc1cn2ccnc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001662133198 1196685280 /nfs/dbraw/zinc/68/52/80/1196685280.db2.gz PSJRXLGGQMGMKD-CYBMUJFWSA-N 2 2 323.425 3.432 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3COc4ccccc4C3)cc2)c[nH+]1 ZINC000078482762 1196732990 /nfs/dbraw/zinc/73/29/90/1196732990.db2.gz OPOWXTVOXXYRAN-KRWDZBQOSA-N 2 2 319.408 3.213 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccccc1OCC(F)(F)F)[NH+](C)C ZINC001662966584 1196777684 /nfs/dbraw/zinc/77/76/84/1196777684.db2.gz OQUSFELLENGNBJ-LBPRGKRZSA-N 2 2 304.356 3.058 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(O)c(F)c3)C2)CC1 ZINC001663717172 1196933482 /nfs/dbraw/zinc/93/34/82/1196933482.db2.gz HUGKSUJXJOIKCL-QGZVFWFLSA-N 2 2 320.452 3.475 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(O)c(F)c3)C2)CC1 ZINC001663717172 1196933488 /nfs/dbraw/zinc/93/34/88/1196933488.db2.gz HUGKSUJXJOIKCL-QGZVFWFLSA-N 2 2 320.452 3.475 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001665712182 1197179619 /nfs/dbraw/zinc/17/96/19/1197179619.db2.gz KMWQOXOKZGPDLG-ZSYWTGECSA-N 2 2 309.542 3.349 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001665712182 1197179622 /nfs/dbraw/zinc/17/96/22/1197179622.db2.gz KMWQOXOKZGPDLG-ZSYWTGECSA-N 2 2 309.542 3.349 20 0 DGADLP Cc1ccsc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000120846035 1198792506 /nfs/dbraw/zinc/79/25/06/1198792506.db2.gz IZADFEHSDGLMTL-UHFFFAOYSA-N 2 2 316.470 3.179 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000111925638 1199637650 /nfs/dbraw/zinc/63/76/50/1199637650.db2.gz JOPVRESZRLSDDU-KRWDZBQOSA-N 2 2 310.441 3.307 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000111925638 1199637653 /nfs/dbraw/zinc/63/76/53/1199637653.db2.gz JOPVRESZRLSDDU-KRWDZBQOSA-N 2 2 310.441 3.307 20 0 DGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000305176532 1199676392 /nfs/dbraw/zinc/67/63/92/1199676392.db2.gz VJQWEIQISAISCE-ZWKOTPCHSA-N 2 2 322.880 3.198 20 0 DGADLP CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305261411 1199679887 /nfs/dbraw/zinc/67/98/87/1199679887.db2.gz OKFXYPIDYDGSNR-QGZVFWFLSA-N 2 2 301.434 3.005 20 0 DGADLP CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000430924725 1199829807 /nfs/dbraw/zinc/82/98/07/1199829807.db2.gz IXHLVEPZOARNJD-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000430924725 1199829810 /nfs/dbraw/zinc/82/98/10/1199829810.db2.gz IXHLVEPZOARNJD-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](CC)C2)c1Cl ZINC000120797061 1200171879 /nfs/dbraw/zinc/17/18/79/1200171879.db2.gz BWNKUMVSHIUZGC-CQSZACIVSA-N 2 2 312.889 3.076 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)c1Cl ZINC000120797061 1200171880 /nfs/dbraw/zinc/17/18/80/1200171880.db2.gz BWNKUMVSHIUZGC-CQSZACIVSA-N 2 2 312.889 3.076 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)c1Cl ZINC000120796883 1200171993 /nfs/dbraw/zinc/17/19/93/1200171993.db2.gz BWNKUMVSHIUZGC-AWEZNQCLSA-N 2 2 312.889 3.076 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)c1Cl ZINC000120796883 1200171995 /nfs/dbraw/zinc/17/19/95/1200171995.db2.gz BWNKUMVSHIUZGC-AWEZNQCLSA-N 2 2 312.889 3.076 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001689817493 1200295036 /nfs/dbraw/zinc/29/50/36/1200295036.db2.gz SDLIPBGHQDRBMK-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001689817493 1200295045 /nfs/dbraw/zinc/29/50/45/1200295045.db2.gz SDLIPBGHQDRBMK-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP COc1cc(C)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000127225343 1200679042 /nfs/dbraw/zinc/67/90/42/1200679042.db2.gz RDNAJRNNPHYLCY-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP Brc1ccc(C2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000211496799 1201154777 /nfs/dbraw/zinc/15/47/77/1201154777.db2.gz HVDAFQPTGBEMIS-INIZCTEOSA-N 2 2 323.278 3.381 20 0 DGADLP CC[C@H](C)C[N@H+](CC)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752189042 1201795730 /nfs/dbraw/zinc/79/57/30/1201795730.db2.gz LAFGANFFQILBLH-AWEZNQCLSA-N 2 2 316.449 3.051 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752189042 1201795734 /nfs/dbraw/zinc/79/57/34/1201795734.db2.gz LAFGANFFQILBLH-AWEZNQCLSA-N 2 2 316.449 3.051 20 0 DGADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001699367597 1201814917 /nfs/dbraw/zinc/81/49/17/1201814917.db2.gz NLINZNQIXVPHEB-CVEARBPZSA-N 2 2 322.497 3.001 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001699583195 1201957834 /nfs/dbraw/zinc/95/78/34/1201957834.db2.gz IOKFSNZCJKBWBK-SJCJKPOMSA-N 2 2 317.477 3.151 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001699583194 1201958457 /nfs/dbraw/zinc/95/84/57/1201958457.db2.gz IOKFSNZCJKBWBK-PXAZEXFGSA-N 2 2 317.477 3.151 20 0 DGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CCC(C)C ZINC001753483667 1202271765 /nfs/dbraw/zinc/27/17/65/1202271765.db2.gz QRSVIEDUWPSZOU-INIZCTEOSA-N 2 2 305.466 3.151 20 0 DGADLP C[NH+]1CCC([NH+]2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000142778006 1202564992 /nfs/dbraw/zinc/56/49/92/1202564992.db2.gz WNDJLMWBBSMXIR-UHFFFAOYSA-N 2 2 315.505 3.200 20 0 DGADLP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)C ZINC001707457828 1202586176 /nfs/dbraw/zinc/58/61/76/1202586176.db2.gz ZFCOFZPPFSOBLO-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)C ZINC001707457828 1202586177 /nfs/dbraw/zinc/58/61/77/1202586177.db2.gz ZFCOFZPPFSOBLO-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000152052272 1202593651 /nfs/dbraw/zinc/59/36/51/1202593651.db2.gz ZGDDGKLKTABVJT-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000152208576 1202593967 /nfs/dbraw/zinc/59/39/67/1202593967.db2.gz JMODFBYSYXLWKH-UHFFFAOYSA-N 2 2 315.383 3.453 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152901328 1202595546 /nfs/dbraw/zinc/59/55/46/1202595546.db2.gz OJZOYRYJXIJZLJ-NWDGAFQWSA-N 2 2 301.356 3.063 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154651435 1202597786 /nfs/dbraw/zinc/59/77/86/1202597786.db2.gz XBXZZXMHYBUYBH-WFASDCNBSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154651435 1202597785 /nfs/dbraw/zinc/59/77/85/1202597785.db2.gz XBXZZXMHYBUYBH-WFASDCNBSA-N 2 2 311.267 3.064 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000157287853 1202602180 /nfs/dbraw/zinc/60/21/80/1202602180.db2.gz LWXCAMCLWWDUAV-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000157287853 1202602181 /nfs/dbraw/zinc/60/21/81/1202602181.db2.gz LWXCAMCLWWDUAV-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP CCC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCC[NH2+]1 ZINC000233113421 1202602314 /nfs/dbraw/zinc/60/23/14/1202602314.db2.gz AACRLOUTLGMPIN-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP CCC[N@H+](Cc1cccc(Br)c1)C[C@H]1CCC[NH2+]1 ZINC000233113421 1202602315 /nfs/dbraw/zinc/60/23/15/1202602315.db2.gz AACRLOUTLGMPIN-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000236669232 1202618722 /nfs/dbraw/zinc/61/87/22/1202618722.db2.gz YZHYVUIXZKFFJZ-UHFFFAOYSA-N 2 2 302.462 3.438 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000236799103 1202625636 /nfs/dbraw/zinc/62/56/36/1202625636.db2.gz BYDLCJATQIDESA-MRXNPFEDSA-N 2 2 318.486 3.348 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000236799103 1202625637 /nfs/dbraw/zinc/62/56/37/1202625637.db2.gz BYDLCJATQIDESA-MRXNPFEDSA-N 2 2 318.486 3.348 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000237085016 1202646362 /nfs/dbraw/zinc/64/63/62/1202646362.db2.gz XUUPFFRAOXOBCV-GOSISDBHSA-N 2 2 320.440 3.209 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000237085016 1202646363 /nfs/dbraw/zinc/64/63/63/1202646363.db2.gz XUUPFFRAOXOBCV-GOSISDBHSA-N 2 2 320.440 3.209 20 0 DGADLP CCCC[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714877216 1203172541 /nfs/dbraw/zinc/17/25/41/1203172541.db2.gz YVVFVOKXGNCYRB-QGZVFWFLSA-N 2 2 317.477 3.249 20 0 DGADLP CCCC[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714877216 1203172543 /nfs/dbraw/zinc/17/25/43/1203172543.db2.gz YVVFVOKXGNCYRB-QGZVFWFLSA-N 2 2 317.477 3.249 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000162409364 1203452571 /nfs/dbraw/zinc/45/25/71/1203452571.db2.gz GNRNYPAIYVCHKV-UHFFFAOYSA-N 2 2 313.420 3.462 20 0 DGADLP CC[C@H](F)C[NH2+]CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001717677548 1203697339 /nfs/dbraw/zinc/69/73/39/1203697339.db2.gz DBGMFGBPKPSOKM-CJNGLKHVSA-N 2 2 323.456 3.243 20 0 DGADLP CC(C)CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725089692 1204092164 /nfs/dbraw/zinc/09/21/64/1204092164.db2.gz GUGXBFFJNFZMPV-ZIAGYGMSSA-N 2 2 316.449 3.096 20 0 DGADLP CC(C)CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725089689 1204092417 /nfs/dbraw/zinc/09/24/17/1204092417.db2.gz GUGXBFFJNFZMPV-UONOGXRCSA-N 2 2 316.449 3.096 20 0 DGADLP CC[NH2+][C@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001725210050 1204119616 /nfs/dbraw/zinc/11/96/16/1204119616.db2.gz CYPHOEWDZNERLU-MRXNPFEDSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001725391519 1204144640 /nfs/dbraw/zinc/14/46/40/1204144640.db2.gz AMHQGOATNLNTHU-AWEZNQCLSA-N 2 2 317.477 3.295 20 0 DGADLP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001732524323 1204880995 /nfs/dbraw/zinc/88/09/95/1204880995.db2.gz MGFHZUVBGSTDGN-NVXWUHKLSA-N 2 2 317.477 3.247 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3C[C@H]3c3ccccc3)c2)C1 ZINC001169816581 1081659539 /nfs/dbraw/zinc/65/95/39/1081659539.db2.gz SBKHVSOKBCVPCM-YZGWKJHDSA-N 2 2 307.441 3.188 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3C[C@H]3c3ccccc3)c2)C1 ZINC001169816581 1081659543 /nfs/dbraw/zinc/65/95/43/1081659543.db2.gz SBKHVSOKBCVPCM-YZGWKJHDSA-N 2 2 307.441 3.188 20 0 DGADLP CCc1cc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)nc(C)[nH+]1 ZINC001167087602 1081666655 /nfs/dbraw/zinc/66/66/55/1081666655.db2.gz XWLOKDAENAEMQD-UHFFFAOYSA-N 2 2 310.376 3.076 20 0 DGADLP CC(=O)OC(C)(C)CCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209148814 1081691405 /nfs/dbraw/zinc/69/14/05/1081691405.db2.gz MDEORNRECDYMNG-UHFFFAOYSA-N 2 2 320.433 3.047 20 0 DGADLP Cc1nc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(C)c(C)[nH+]1 ZINC001167163975 1081778545 /nfs/dbraw/zinc/77/85/45/1081778545.db2.gz ZOELMSJTGMFMHV-UHFFFAOYSA-N 2 2 322.456 3.043 20 0 DGADLP CC(C)(C)c1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]c1 ZINC001167208416 1081806573 /nfs/dbraw/zinc/80/65/73/1081806573.db2.gz AMDYFBMLFWYSPM-NQIIRXRSSA-N 2 2 321.468 3.357 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3ccc(C)c[nH+]3)cc2F)CC1 ZINC001211013280 1082057653 /nfs/dbraw/zinc/05/76/53/1082057653.db2.gz GEVUCXDBEXNZII-UHFFFAOYSA-N 2 2 314.408 3.415 20 0 DGADLP C[C@@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000398231221 1082114220 /nfs/dbraw/zinc/11/42/20/1082114220.db2.gz WUUXUMBADGEMLV-APWZRJJASA-N 3 2 324.472 3.186 20 0 DGADLP C[C@@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231221 1082114223 /nfs/dbraw/zinc/11/42/23/1082114223.db2.gz WUUXUMBADGEMLV-APWZRJJASA-N 3 2 324.472 3.186 20 0 DGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482515 1082555511 /nfs/dbraw/zinc/55/55/11/1082555511.db2.gz FGVDZSMSCSZIAR-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP CC[C@@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001130268888 1082561306 /nfs/dbraw/zinc/56/13/06/1082561306.db2.gz NWPZMHKWYISURL-MRXNPFEDSA-N 2 2 322.412 3.034 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143446304 1082590337 /nfs/dbraw/zinc/59/03/37/1082590337.db2.gz CMHVAXAPZNXYAN-UHFFFAOYSA-N 2 2 322.346 3.498 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143446304 1082590342 /nfs/dbraw/zinc/59/03/42/1082590342.db2.gz CMHVAXAPZNXYAN-UHFFFAOYSA-N 2 2 322.346 3.498 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCC3SCCS3)cc2)c[nH+]1 ZINC000693791257 1082734125 /nfs/dbraw/zinc/73/41/25/1082734125.db2.gz QVDULHZXOZKYSR-UHFFFAOYSA-N 2 2 305.472 3.158 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000309336929 1083046846 /nfs/dbraw/zinc/04/68/46/1083046846.db2.gz JXJSRGBPNSWZMV-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000309336929 1083046853 /nfs/dbraw/zinc/04/68/53/1083046853.db2.gz JXJSRGBPNSWZMV-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001170659770 1083058335 /nfs/dbraw/zinc/05/83/35/1083058335.db2.gz ROHHZKABSQXPGS-MRXNPFEDSA-N 2 2 308.416 3.288 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001170659768 1083058599 /nfs/dbraw/zinc/05/85/99/1083058599.db2.gz ROHHZKABSQXPGS-INIZCTEOSA-N 2 2 308.416 3.288 20 0 DGADLP c1cn2cccc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)c2[nH+]1 ZINC001170754682 1083300148 /nfs/dbraw/zinc/30/01/48/1083300148.db2.gz ZWEQDBBZVGTSCY-SFHVURJKSA-N 2 2 320.440 3.453 20 0 DGADLP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545445 1083302658 /nfs/dbraw/zinc/30/26/58/1083302658.db2.gz OVAYNZUTJULMQD-HUUCEWRRSA-N 2 2 322.497 3.042 20 0 DGADLP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545445 1083302661 /nfs/dbraw/zinc/30/26/61/1083302661.db2.gz OVAYNZUTJULMQD-HUUCEWRRSA-N 2 2 322.497 3.042 20 0 DGADLP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739400 1083326290 /nfs/dbraw/zinc/32/62/90/1083326290.db2.gz DNDKGFLFHRRKGR-KGLIPLIRSA-N 2 2 316.449 3.240 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167752214 1083625835 /nfs/dbraw/zinc/62/58/35/1083625835.db2.gz RNDKLCCHEQRRFM-ZDUSSCGKSA-N 2 2 318.465 3.347 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167752214 1083625845 /nfs/dbraw/zinc/62/58/45/1083625845.db2.gz RNDKLCCHEQRRFM-ZDUSSCGKSA-N 2 2 318.465 3.347 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001167752028 1083626948 /nfs/dbraw/zinc/62/69/48/1083626948.db2.gz BGQSLEGLBRJDTG-MRXNPFEDSA-N 2 2 302.466 3.358 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001167752028 1083626953 /nfs/dbraw/zinc/62/69/53/1083626953.db2.gz BGQSLEGLBRJDTG-MRXNPFEDSA-N 2 2 302.466 3.358 20 0 DGADLP Cc1ccc(C)c(Nc2cccc(CC[NH+]3CCOCC3)c2)[nH+]1 ZINC001204333844 1083669846 /nfs/dbraw/zinc/66/98/46/1083669846.db2.gz QFTAZOSLGBLFKJ-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000072670476 1083959162 /nfs/dbraw/zinc/95/91/62/1083959162.db2.gz JEBBQHGJDRAJNL-CQSZACIVSA-N 2 2 323.396 3.437 20 0 DGADLP C[C@@H]1Cc2cc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)ccc2O1 ZINC001184375151 1084167350 /nfs/dbraw/zinc/16/73/50/1084167350.db2.gz UHNNSDTYMAZJIC-CQSZACIVSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC2CSC2)C[N@@H+]1Cc1ccccc1 ZINC001184389561 1084169688 /nfs/dbraw/zinc/16/96/88/1084169688.db2.gz YBFJHKNDCZZCQR-CRAIPNDOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC2CSC2)C[N@H+]1Cc1ccccc1 ZINC001184389561 1084169691 /nfs/dbraw/zinc/16/96/91/1084169691.db2.gz YBFJHKNDCZZCQR-CRAIPNDOSA-N 2 2 304.503 3.382 20 0 DGADLP C[N@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001186023071 1084572119 /nfs/dbraw/zinc/57/21/19/1084572119.db2.gz QEZVNWZSEJIADM-OAHLLOKOSA-N 2 2 307.319 3.121 20 0 DGADLP C[N@@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001186023071 1084572123 /nfs/dbraw/zinc/57/21/23/1084572123.db2.gz QEZVNWZSEJIADM-OAHLLOKOSA-N 2 2 307.319 3.121 20 0 DGADLP [NH2+]=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)SCC[NH3+] ZINC001167914823 1084645437 /nfs/dbraw/zinc/64/54/37/1084645437.db2.gz ABRWCZOLSQOJFJ-UHFFFAOYSA-N 2 2 311.414 3.268 20 0 DGADLP CCCCC[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001481833972 1084656241 /nfs/dbraw/zinc/65/62/41/1084656241.db2.gz FNERXYUAJQMBGS-MRXNPFEDSA-N 2 2 305.466 3.295 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167960811 1085686687 /nfs/dbraw/zinc/68/66/87/1085686687.db2.gz DQJZZBCXXKRDMM-ALOPSCKCSA-N 2 2 306.400 3.460 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167960811 1085686691 /nfs/dbraw/zinc/68/66/91/1085686691.db2.gz DQJZZBCXXKRDMM-ALOPSCKCSA-N 2 2 306.400 3.460 20 0 DGADLP Cc1cnc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168005685 1086149639 /nfs/dbraw/zinc/14/96/39/1086149639.db2.gz KCWQKUGDUAALKV-IRXDYDNUSA-N 2 2 324.472 3.316 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008149 1086167924 /nfs/dbraw/zinc/16/79/24/1086167924.db2.gz VZBKDZIIQXCARB-JLVBRIDZSA-N 2 2 302.462 3.385 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008149 1086167929 /nfs/dbraw/zinc/16/79/29/1086167929.db2.gz VZBKDZIIQXCARB-JLVBRIDZSA-N 2 2 302.462 3.385 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cccnn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168016343 1086303314 /nfs/dbraw/zinc/30/33/14/1086303314.db2.gz VDTPSHBIYJQBAL-HZPDHXFCSA-N 2 2 310.445 3.008 20 0 DGADLP CC[N@H+](C1CN(C)C1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168058225 1086632087 /nfs/dbraw/zinc/63/20/87/1086632087.db2.gz PIJAYQRPUDUWGL-IAGOWNOFSA-N 2 2 315.505 3.064 20 0 DGADLP CC[N@@H+](C1CN(C)C1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168058225 1086632094 /nfs/dbraw/zinc/63/20/94/1086632094.db2.gz PIJAYQRPUDUWGL-IAGOWNOFSA-N 2 2 315.505 3.064 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001168071683 1086726975 /nfs/dbraw/zinc/72/69/75/1086726975.db2.gz LPHFRMDRZTUCEF-XLIONFOSSA-N 2 2 316.489 3.098 20 0 DGADLP CCCC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001482543330 1086835790 /nfs/dbraw/zinc/83/57/90/1086835790.db2.gz GMJZFPJEDPVOIR-INIZCTEOSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168095040 1086857414 /nfs/dbraw/zinc/85/74/14/1086857414.db2.gz YWKDKXDYLXYZIY-DNVCBOLYSA-N 2 2 320.452 3.256 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001168264420 1087088584 /nfs/dbraw/zinc/08/85/84/1087088584.db2.gz SKWGQVUMKKFSOR-KRWDZBQOSA-N 2 2 324.424 3.101 20 0 DGADLP Clc1ccc2c(c1)OC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365737 1087387579 /nfs/dbraw/zinc/38/75/79/1087387579.db2.gz VNMNUJQSBNTXHT-MRXNPFEDSA-N 2 2 306.837 3.238 20 0 DGADLP Fc1cc(F)c2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168368525 1087429417 /nfs/dbraw/zinc/42/94/17/1087429417.db2.gz KMBIUNANRJJMKA-KRWDZBQOSA-N 2 2 322.399 3.252 20 0 DGADLP COc1cnccc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168370597 1087441125 /nfs/dbraw/zinc/44/11/25/1087441125.db2.gz BZQXTYPRKHGPQU-IBGZPJMESA-N 2 2 315.461 3.005 20 0 DGADLP COc1c(F)cccc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168372429 1087460403 /nfs/dbraw/zinc/46/04/03/1087460403.db2.gz WWVHXOYRRPSPTL-ZDUSSCGKSA-N 2 2 306.425 3.359 20 0 DGADLP C[N@H+](CCC(=O)c1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168393191 1087550983 /nfs/dbraw/zinc/55/09/83/1087550983.db2.gz ZAZHXLJZOLMDTE-UHFFFAOYSA-N 2 2 300.446 3.066 20 0 DGADLP C[N@@H+](CCC(=O)c1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168393191 1087550986 /nfs/dbraw/zinc/55/09/86/1087550986.db2.gz ZAZHXLJZOLMDTE-UHFFFAOYSA-N 2 2 300.446 3.066 20 0 DGADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205075851 1087656561 /nfs/dbraw/zinc/65/65/61/1087656561.db2.gz PCTGDTYVWXRVKC-AAEUAGOBSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205075851 1087656564 /nfs/dbraw/zinc/65/65/64/1087656564.db2.gz PCTGDTYVWXRVKC-AAEUAGOBSA-N 2 2 302.340 3.205 20 0 DGADLP C[C@H]1C[C@H](Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)c2ccccc21 ZINC001158474736 1087854014 /nfs/dbraw/zinc/85/40/14/1087854014.db2.gz SXJVGLYSVIQCPS-YJBOKZPZSA-N 2 2 322.456 3.494 20 0 DGADLP Cc1cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc(C2CC2)[nH+]1 ZINC001159031760 1088150275 /nfs/dbraw/zinc/15/02/75/1088150275.db2.gz MWOJMXSNMOIPLN-UHFFFAOYSA-N 2 2 320.440 3.261 20 0 DGADLP CC(C)c1cccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159200413 1088231971 /nfs/dbraw/zinc/23/19/71/1088231971.db2.gz HJXYMFYJIUOOPK-UHFFFAOYSA-N 2 2 310.445 3.354 20 0 DGADLP Cc1c[nH+]cc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1C ZINC001159345057 1088309479 /nfs/dbraw/zinc/30/94/79/1088309479.db2.gz YRKCAWYBCIJHBP-UHFFFAOYSA-N 2 2 312.417 3.215 20 0 DGADLP CC(C)c1ccc[nH+]c1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159417322 1088342315 /nfs/dbraw/zinc/34/23/15/1088342315.db2.gz WIQCJJYDBCDWFY-UHFFFAOYSA-N 2 2 310.445 3.354 20 0 DGADLP Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)[nH+]c1 ZINC001159862604 1088523531 /nfs/dbraw/zinc/52/35/31/1088523531.db2.gz YMRCSXAIDRSUHY-UHFFFAOYSA-N 2 2 302.809 3.197 20 0 DGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403132 1088596659 /nfs/dbraw/zinc/59/66/59/1088596659.db2.gz CFBLCIHBNKVRTC-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403132 1088596672 /nfs/dbraw/zinc/59/66/72/1088596672.db2.gz CFBLCIHBNKVRTC-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1c[nH+]cc(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)c1C ZINC001160056367 1088624687 /nfs/dbraw/zinc/62/46/87/1088624687.db2.gz WLUUUNURDSQXPX-CQSZACIVSA-N 2 2 300.381 3.119 20 0 DGADLP CNc1ccc(Nc2c(F)cccc2OC2CC[NH2+]CC2)c[nH+]1 ZINC001160149189 1088671306 /nfs/dbraw/zinc/67/13/06/1088671306.db2.gz AMETVSGKLACJJT-UHFFFAOYSA-N 2 2 316.380 3.137 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c1 ZINC001160182037 1088688565 /nfs/dbraw/zinc/68/85/65/1088688565.db2.gz LTNKYGVNELLGSJ-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP Cc1ccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC001160182035 1088688797 /nfs/dbraw/zinc/68/87/97/1088688797.db2.gz LSCBNBKYQPEDSA-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP CN(C)c1ccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC001160212992 1088702219 /nfs/dbraw/zinc/70/22/19/1088702219.db2.gz XKLFHRJGYZBHHR-QGZVFWFLSA-N 2 2 312.417 3.022 20 0 DGADLP CC(C)(C)C(=O)C[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC001161120412 1089124647 /nfs/dbraw/zinc/12/46/47/1089124647.db2.gz XTFVRYLKNMKZHO-UHFFFAOYSA-N 2 2 315.461 3.451 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3cccc4[nH+]c[nH]c43)cc2)CC1 ZINC001213030527 1089135496 /nfs/dbraw/zinc/13/54/96/1089135496.db2.gz DCSAGBHTCFANNI-UHFFFAOYSA-N 2 2 307.401 3.058 20 0 DGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520789 1089144202 /nfs/dbraw/zinc/14/42/02/1089144202.db2.gz CIANSWLONYWJGK-IAGOWNOFSA-N 2 2 322.497 3.241 20 0 DGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520789 1089144208 /nfs/dbraw/zinc/14/42/08/1089144208.db2.gz CIANSWLONYWJGK-IAGOWNOFSA-N 2 2 322.497 3.241 20 0 DGADLP c1ccc(-c2cc[nH+]c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC001155592529 1089178590 /nfs/dbraw/zinc/17/85/90/1089178590.db2.gz QLLUUPPVFWPUNH-JXFKEZNVSA-N 2 2 323.440 3.319 20 0 DGADLP Cc1cc(N2CCC([NH3+])(CC3CCC3)CC2)nc(C2CC2)[nH+]1 ZINC001161577220 1089293707 /nfs/dbraw/zinc/29/37/07/1089293707.db2.gz HVOXNJGQSDXHNT-UHFFFAOYSA-N 2 2 300.450 3.150 20 0 DGADLP COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2-c1cccc(N)[nH+]1 ZINC001156013432 1089343367 /nfs/dbraw/zinc/34/33/67/1089343367.db2.gz NZLSGEQYZJKLMI-UHFFFAOYSA-N 2 2 322.412 3.083 20 0 DGADLP FC(F)(F)c1ccc2[nH+]ccc(NCCCn3cc[nH+]c3)c2c1 ZINC001161688687 1089348733 /nfs/dbraw/zinc/34/87/33/1089348733.db2.gz ZWMASLYEWDCWGA-UHFFFAOYSA-N 2 2 320.318 3.374 20 0 DGADLP C[NH+](C)CCCCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001161730883 1089377228 /nfs/dbraw/zinc/37/72/28/1089377228.db2.gz UZIFJFBFRIMCQE-UHFFFAOYSA-N 2 2 300.328 3.335 20 0 DGADLP Cc1ccc(C)c(CCNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001161833116 1089433294 /nfs/dbraw/zinc/43/32/94/1089433294.db2.gz WCXDFYCNRHHYOE-HXUWFJFHSA-N 2 2 323.484 3.491 20 0 DGADLP Cc1ccc(C)c(CCNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001161833116 1089433305 /nfs/dbraw/zinc/43/33/05/1089433305.db2.gz WCXDFYCNRHHYOE-HXUWFJFHSA-N 2 2 323.484 3.491 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc(-c2ccccc2)[nH+]1 ZINC001162454203 1089738508 /nfs/dbraw/zinc/73/85/08/1089738508.db2.gz NOJPHHCSVYAGAX-PBHICJAKSA-N 2 2 310.445 3.500 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]cc1C(F)(F)F ZINC001162454455 1089739503 /nfs/dbraw/zinc/73/95/03/1089739503.db2.gz OKEWLHWQPRDISZ-RYUDHWBXSA-N 2 2 301.356 3.456 20 0 DGADLP COc1cc2ccc(NCc3ccc(N)[nH+]c3C)[nH+]c2cc1OC ZINC001156980673 1089773426 /nfs/dbraw/zinc/77/34/26/1089773426.db2.gz MPCZQQCJESKJMJ-UHFFFAOYSA-N 2 2 324.384 3.150 20 0 DGADLP Cc1cc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC001157433785 1089965215 /nfs/dbraw/zinc/96/52/15/1089965215.db2.gz NIDVCVZVTKVUAO-SFHVURJKSA-N 2 2 322.456 3.421 20 0 DGADLP Cc1nc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC001157433370 1089965865 /nfs/dbraw/zinc/96/58/65/1089965865.db2.gz LGAWGFCYVFQILR-SFHVURJKSA-N 2 2 310.445 3.160 20 0 DGADLP CCc1cc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC001157436341 1089966033 /nfs/dbraw/zinc/96/60/33/1089966033.db2.gz WXFJZDOXMUASQH-SFHVURJKSA-N 2 2 310.445 3.106 20 0 DGADLP CC(C)[NH+]1CC(Nc2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001157529447 1090009890 /nfs/dbraw/zinc/00/98/90/1090009890.db2.gz DNVGVRVBIUUMOY-UHFFFAOYSA-N 2 2 310.445 3.340 20 0 DGADLP CCC/C=C\CC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910845 1090021609 /nfs/dbraw/zinc/02/16/09/1090021609.db2.gz ZQQMKJAKKOELSE-FPLPWBNLSA-N 2 2 317.477 3.463 20 0 DGADLP CCCC(C[NH3+])(CCC)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC001163040953 1090060557 /nfs/dbraw/zinc/06/05/57/1090060557.db2.gz WNBGFAVKCOLBEP-OAHLLOKOSA-N 2 2 319.497 3.423 20 0 DGADLP CCCc1cc(N2CCC(C)([NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC001157660252 1090061316 /nfs/dbraw/zinc/06/13/16/1090061316.db2.gz MTLJIJDVSCPSPZ-UHFFFAOYSA-N 2 2 302.466 3.192 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC(C)(C)C[NH2+]C(C)C)c(C)[nH+]1 ZINC001485256517 1090063283 /nfs/dbraw/zinc/06/32/83/1090063283.db2.gz QNQJBVAPBSKAIX-UHFFFAOYSA-N 2 2 305.466 3.103 20 0 DGADLP COC(=O)c1ccc2cc[nH+]c(NCC(C)(C)C[NH+](C)C)c2c1 ZINC001157942189 1090155158 /nfs/dbraw/zinc/15/51/58/1090155158.db2.gz RBDCMKSULOVSSO-UHFFFAOYSA-N 2 2 315.417 3.021 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001163361063 1090162443 /nfs/dbraw/zinc/16/24/43/1090162443.db2.gz GPTVCSIVHAYLBF-HIFRSBDPSA-N 2 2 319.449 3.016 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163361063 1090162446 /nfs/dbraw/zinc/16/24/46/1090162446.db2.gz GPTVCSIVHAYLBF-HIFRSBDPSA-N 2 2 319.449 3.016 20 0 DGADLP C[C@@H]1CN(c2[nH+]c(N3CCCC3)cc3ccccc32)C[C@@H](C)[NH2+]1 ZINC001158185983 1090197954 /nfs/dbraw/zinc/19/79/54/1090197954.db2.gz OONGXDGUAFAWET-HUUCEWRRSA-N 2 2 310.445 3.022 20 0 DGADLP Cc1c(C)n(-c2cc(N3CCCC3)[nH+]cn2)c2ccc(C[NH3+])cc12 ZINC001163757640 1090251574 /nfs/dbraw/zinc/25/15/74/1090251574.db2.gz ZRAPFRTUTJIRAO-UHFFFAOYSA-N 2 2 321.428 3.096 20 0 DGADLP Cc1cc2cc(NCc3cccnc3C3CC[NH2+]CC3)[nH+]cc2[nH]1 ZINC001163908824 1090284489 /nfs/dbraw/zinc/28/44/89/1090284489.db2.gz MEACWKXDSHKCOQ-UHFFFAOYSA-N 2 2 321.428 3.345 20 0 DGADLP Cc1[nH+]ccn1CCNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001163928886 1090289622 /nfs/dbraw/zinc/28/96/22/1090289622.db2.gz NTLQMPYHNHXYCL-UHFFFAOYSA-N 2 2 309.295 3.199 20 0 DGADLP Cc1[nH+]c2c(n1-c1nccc3cccc(Cl)c31)CC[NH2+]CC2 ZINC001165353517 1090510479 /nfs/dbraw/zinc/51/04/79/1090510479.db2.gz QGLOJVKZVURJKN-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP [NH3+]C1([C@@H]2CN(c3[nH+]ccc4cc(Cl)ccc43)C[C@H]2CF)CC1 ZINC001165434541 1090521601 /nfs/dbraw/zinc/52/16/01/1090521601.db2.gz ZSQORQVIKWYZII-IUODEOHRSA-N 2 2 319.811 3.401 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]CCCCNc3cccc[nH+]3)ccc2O1 ZINC001649085806 1090592807 /nfs/dbraw/zinc/59/28/07/1090592807.db2.gz YZQDMRYZJBKEPM-HNNXBMFYSA-N 2 2 311.429 3.387 20 0 DGADLP Cc1ccc2c(C)cc(N3CC[C@@H]([NH3+])C(F)(F)C3)[nH+]c2c1C ZINC001166961213 1090682988 /nfs/dbraw/zinc/68/29/88/1090682988.db2.gz MRJBLDYEFAFSHS-CQSZACIVSA-N 2 2 305.372 3.333 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(O)c4)C[C@@H]3C2)cc1 ZINC001203861255 1090821399 /nfs/dbraw/zinc/82/13/99/1090821399.db2.gz UBNPTMDCEQYTGX-PMACEKPBSA-N 2 2 322.452 3.264 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC(C)C)C(C)(C)C)c(C)[nH+]1 ZINC001486406277 1090829288 /nfs/dbraw/zinc/82/92/88/1090829288.db2.gz VAFRAJOESCZCGK-INIZCTEOSA-N 2 2 319.493 3.397 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1=CCOCC1 ZINC001204063543 1090888539 /nfs/dbraw/zinc/88/85/39/1090888539.db2.gz HRRGCSWRNRIMFD-UHFFFAOYSA-N 2 2 311.429 3.335 20 0 DGADLP Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)n1 ZINC001204067256 1090889913 /nfs/dbraw/zinc/88/99/13/1090889913.db2.gz QQQFURQQOXQTTN-HOTGVXAUSA-N 2 2 313.470 3.015 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCc3c(F)cccc3F)C2)C1 ZINC001276456399 1090952195 /nfs/dbraw/zinc/95/21/95/1090952195.db2.gz ZHFGAFDBXCUOGN-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](CCc3c(F)cccc3F)C2)C1 ZINC001276456399 1090952200 /nfs/dbraw/zinc/95/22/00/1090952200.db2.gz ZHFGAFDBXCUOGN-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](CCc3c(F)cccc3F)C2)C1 ZINC001276456399 1090952203 /nfs/dbraw/zinc/95/22/03/1090952203.db2.gz ZHFGAFDBXCUOGN-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCc3c(F)cccc3F)C2)C1 ZINC001276456399 1090952205 /nfs/dbraw/zinc/95/22/05/1090952205.db2.gz ZHFGAFDBXCUOGN-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(C(C)=O)c2ccccc12 ZINC001204412185 1090964065 /nfs/dbraw/zinc/96/40/65/1090964065.db2.gz KUCSSFVQKUBTRO-UHFFFAOYSA-N 2 2 301.434 3.075 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C(C)=O)c2ccccc12 ZINC001204412185 1090964068 /nfs/dbraw/zinc/96/40/68/1090964068.db2.gz KUCSSFVQKUBTRO-UHFFFAOYSA-N 2 2 301.434 3.075 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)nn(-c2ccccc2)c1C ZINC001204450457 1090971313 /nfs/dbraw/zinc/97/13/13/1090971313.db2.gz KAOYXGBDYFSQQX-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP Cc1[nH+]cn(-c2ccc(-c3ccc(C[NH+](C)C)cc3)nn2)c1C ZINC001204626172 1091008647 /nfs/dbraw/zinc/00/86/47/1091008647.db2.gz WSKMFBQDXBPSKW-UHFFFAOYSA-N 2 2 307.401 3.008 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001204885228 1091054166 /nfs/dbraw/zinc/05/41/66/1091054166.db2.gz ONBIRELUZOIAAL-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001204885228 1091054172 /nfs/dbraw/zinc/05/41/72/1091054172.db2.gz ONBIRELUZOIAAL-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC001204885140 1091054251 /nfs/dbraw/zinc/05/42/51/1091054251.db2.gz KKQKFPDYGMFHJL-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC001204885140 1091054258 /nfs/dbraw/zinc/05/42/58/1091054258.db2.gz KKQKFPDYGMFHJL-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP C[NH+](C)[C@@H]1CCOc2c(Nc3ccn4cc[nH+]c4c3)cccc21 ZINC001204997705 1091079328 /nfs/dbraw/zinc/07/93/28/1091079328.db2.gz PCDCHICKTFGJLD-MRXNPFEDSA-N 2 2 308.385 3.463 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205140189 1091110829 /nfs/dbraw/zinc/11/08/29/1091110829.db2.gz BUFOYTJOTQDCSX-VHSXEESVSA-N 2 2 303.233 3.029 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205140189 1091110833 /nfs/dbraw/zinc/11/08/33/1091110833.db2.gz BUFOYTJOTQDCSX-VHSXEESVSA-N 2 2 303.233 3.029 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(F)cc(F)c(F)c3F)cc2)C1 ZINC001205191413 1091124643 /nfs/dbraw/zinc/12/46/43/1091124643.db2.gz MOPOHOWMZHBYJL-LBPRGKRZSA-N 2 2 324.321 3.443 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(F)cc(F)c(F)c3F)cc2)C1 ZINC001205191413 1091124649 /nfs/dbraw/zinc/12/46/49/1091124649.db2.gz MOPOHOWMZHBYJL-LBPRGKRZSA-N 2 2 324.321 3.443 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303194 1091173534 /nfs/dbraw/zinc/17/35/34/1091173534.db2.gz AUJUKYFXCRBJQV-QWRGUYRKSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303194 1091173537 /nfs/dbraw/zinc/17/35/37/1091173537.db2.gz AUJUKYFXCRBJQV-QWRGUYRKSA-N 2 2 304.331 3.261 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205303812 1091175237 /nfs/dbraw/zinc/17/52/37/1091175237.db2.gz KYKJQYHYBYMOJJ-AAEUAGOBSA-N 2 2 314.832 3.295 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205303812 1091175240 /nfs/dbraw/zinc/17/52/40/1091175240.db2.gz KYKJQYHYBYMOJJ-AAEUAGOBSA-N 2 2 314.832 3.295 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690011 1091288987 /nfs/dbraw/zinc/28/89/87/1091288987.db2.gz ZACPMVBOXCSTBM-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690011 1091288995 /nfs/dbraw/zinc/28/89/95/1091288995.db2.gz ZACPMVBOXCSTBM-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690011 1091288999 /nfs/dbraw/zinc/28/89/99/1091288999.db2.gz ZACPMVBOXCSTBM-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690011 1091289005 /nfs/dbraw/zinc/28/90/05/1091289005.db2.gz ZACPMVBOXCSTBM-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C[C@@H]1CCCC(C)(C)C1 ZINC001205706357 1091318284 /nfs/dbraw/zinc/31/82/84/1091318284.db2.gz GKMQLPNNOPYKSP-GOSISDBHSA-N 3 2 311.558 3.408 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(C)c1Cl ZINC001205795609 1091352098 /nfs/dbraw/zinc/35/20/98/1091352098.db2.gz IWDFQPYAVYSLGT-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(C)c1Cl ZINC001205795609 1091352110 /nfs/dbraw/zinc/35/21/10/1091352110.db2.gz IWDFQPYAVYSLGT-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]c3cccc(Cl)c23)CCC1(F)F ZINC001205769751 1091338704 /nfs/dbraw/zinc/33/87/04/1091338704.db2.gz KIEZSHRZHWPJKF-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CCC1(F)F ZINC001205769751 1091338718 /nfs/dbraw/zinc/33/87/18/1091338718.db2.gz KIEZSHRZHWPJKF-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)[nH]c3ccccc32)CCC1(F)F ZINC001205771810 1091341696 /nfs/dbraw/zinc/34/16/96/1091341696.db2.gz WGDAAMIFGGMSNI-SNVBAGLBSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CCC1(F)F ZINC001205771810 1091341710 /nfs/dbraw/zinc/34/17/10/1091341710.db2.gz WGDAAMIFGGMSNI-SNVBAGLBSA-N 2 2 313.779 3.237 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1OC(C)C ZINC001205788070 1091346994 /nfs/dbraw/zinc/34/69/94/1091346994.db2.gz LGCVGUVMMZGNPR-HNNXBMFYSA-N 2 2 312.404 3.198 20 0 DGADLP Cc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1OC(C)C ZINC001205788070 1091347007 /nfs/dbraw/zinc/34/70/07/1091347007.db2.gz LGCVGUVMMZGNPR-HNNXBMFYSA-N 2 2 312.404 3.198 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819838 1091366813 /nfs/dbraw/zinc/36/68/13/1091366813.db2.gz ZCWSXFHSMQEJBR-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819838 1091366824 /nfs/dbraw/zinc/36/68/24/1091366824.db2.gz ZCWSXFHSMQEJBR-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855120 1091379591 /nfs/dbraw/zinc/37/95/91/1091379591.db2.gz LUSYGKJPDRCGJU-WMLDXEAASA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855120 1091379605 /nfs/dbraw/zinc/37/96/05/1091379605.db2.gz LUSYGKJPDRCGJU-WMLDXEAASA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855118 1091380540 /nfs/dbraw/zinc/38/05/40/1091380540.db2.gz LUSYGKJPDRCGJU-RHSMWYFYSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855118 1091380551 /nfs/dbraw/zinc/38/05/51/1091380551.db2.gz LUSYGKJPDRCGJU-RHSMWYFYSA-N 2 2 313.420 3.447 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001138960996 1091394793 /nfs/dbraw/zinc/39/47/93/1091394793.db2.gz ZUGNNEQWHUZPBM-UHFFFAOYSA-N 2 2 319.836 3.382 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001138960996 1091394801 /nfs/dbraw/zinc/39/48/01/1091394801.db2.gz ZUGNNEQWHUZPBM-UHFFFAOYSA-N 2 2 319.836 3.382 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001205931183 1091419002 /nfs/dbraw/zinc/41/90/02/1091419002.db2.gz HSYFAOHYIKULIQ-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001205931183 1091419007 /nfs/dbraw/zinc/41/90/07/1091419007.db2.gz HSYFAOHYIKULIQ-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP [NH3+][C@H]1CCCC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001205938989 1091423555 /nfs/dbraw/zinc/42/35/55/1091423555.db2.gz MPCNZCUKBYQVMQ-INIZCTEOSA-N 2 2 312.413 3.498 20 0 DGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001205938989 1091423560 /nfs/dbraw/zinc/42/35/60/1091423560.db2.gz MPCNZCUKBYQVMQ-INIZCTEOSA-N 2 2 312.413 3.498 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206064819 1091476312 /nfs/dbraw/zinc/47/63/12/1091476312.db2.gz FQBVZKULCJKQNA-OXQOHEQNSA-N 2 2 310.441 3.353 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206064819 1091476317 /nfs/dbraw/zinc/47/63/17/1091476317.db2.gz FQBVZKULCJKQNA-OXQOHEQNSA-N 2 2 310.441 3.353 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@@H]1F ZINC001206163652 1091516534 /nfs/dbraw/zinc/51/65/34/1091516534.db2.gz DMKZCYVPBYJCCV-AAEUAGOBSA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@@H]1F ZINC001206163652 1091516539 /nfs/dbraw/zinc/51/65/39/1091516539.db2.gz DMKZCYVPBYJCCV-AAEUAGOBSA-N 2 2 308.294 3.106 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3cscc3Br)C2)CC1 ZINC001139349559 1091530226 /nfs/dbraw/zinc/53/02/26/1091530226.db2.gz CSGUWQYTSANJMJ-UHFFFAOYSA-N 2 2 315.280 3.038 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343833 1091586612 /nfs/dbraw/zinc/58/66/12/1091586612.db2.gz JDVGWMSUDWXLTJ-KRWDZBQOSA-N 2 2 307.388 3.268 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343833 1091586616 /nfs/dbraw/zinc/58/66/16/1091586616.db2.gz JDVGWMSUDWXLTJ-KRWDZBQOSA-N 2 2 307.388 3.268 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)ccc1C(F)F ZINC001206369739 1091601383 /nfs/dbraw/zinc/60/13/83/1091601383.db2.gz HPQFBMRDLNSHFN-MRXNPFEDSA-N 2 2 316.367 3.286 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)ccc1C(F)F ZINC001206369739 1091601391 /nfs/dbraw/zinc/60/13/91/1091601391.db2.gz HPQFBMRDLNSHFN-MRXNPFEDSA-N 2 2 316.367 3.286 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cnc3cccnc3c2)C2CCCC2)CC1 ZINC001139744270 1091661014 /nfs/dbraw/zinc/66/10/14/1091661014.db2.gz BNQJUGRWTQSWSV-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cnc3cccnc3c2)C2CCCC2)CC1 ZINC001139744270 1091661015 /nfs/dbraw/zinc/66/10/15/1091661015.db2.gz BNQJUGRWTQSWSV-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Br)s2)C1 ZINC001206550189 1091665787 /nfs/dbraw/zinc/66/57/87/1091665787.db2.gz XHVCVYDPJXNJSS-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC001206550189 1091665790 /nfs/dbraw/zinc/66/57/90/1091665790.db2.gz XHVCVYDPJXNJSS-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001206563270 1091670355 /nfs/dbraw/zinc/67/03/55/1091670355.db2.gz AXNDAPGCLADZOT-HNNXBMFYSA-N 2 2 316.367 3.362 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001206563270 1091670357 /nfs/dbraw/zinc/67/03/57/1091670357.db2.gz AXNDAPGCLADZOT-HNNXBMFYSA-N 2 2 316.367 3.362 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001139931295 1091716337 /nfs/dbraw/zinc/71/63/37/1091716337.db2.gz PJPYZIWQPDZHBA-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001206782996 1091738080 /nfs/dbraw/zinc/73/80/80/1091738080.db2.gz KUEXIYXEVGTXBO-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001140021124 1091741508 /nfs/dbraw/zinc/74/15/08/1091741508.db2.gz HURAFZWWQNSUHS-IBGZPJMESA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001140021124 1091741514 /nfs/dbraw/zinc/74/15/14/1091741514.db2.gz HURAFZWWQNSUHS-IBGZPJMESA-N 2 2 313.445 3.164 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](CC)CCn3cc[nH+]c3)c2c1 ZINC001140274494 1091812887 /nfs/dbraw/zinc/81/28/87/1091812887.db2.gz OMXLOZNCZATJNU-UHFFFAOYSA-N 2 2 312.417 3.285 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](CC)CCn3cc[nH+]c3)c2c1 ZINC001140274494 1091812890 /nfs/dbraw/zinc/81/28/90/1091812890.db2.gz OMXLOZNCZATJNU-UHFFFAOYSA-N 2 2 312.417 3.285 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207181419 1091878609 /nfs/dbraw/zinc/87/86/09/1091878609.db2.gz OXESSCOMSPJWRC-RHSMWYFYSA-N 2 2 301.821 3.464 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207181419 1091878614 /nfs/dbraw/zinc/87/86/14/1091878614.db2.gz OXESSCOMSPJWRC-RHSMWYFYSA-N 2 2 301.821 3.464 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196986 1091884857 /nfs/dbraw/zinc/88/48/57/1091884857.db2.gz NWYKQHRYPNVIJA-ATLSCFEFSA-N 2 2 304.865 3.470 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196986 1091884864 /nfs/dbraw/zinc/88/48/64/1091884864.db2.gz NWYKQHRYPNVIJA-ATLSCFEFSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196986 1091884871 /nfs/dbraw/zinc/88/48/71/1091884871.db2.gz NWYKQHRYPNVIJA-ATLSCFEFSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196986 1091884878 /nfs/dbraw/zinc/88/48/78/1091884878.db2.gz NWYKQHRYPNVIJA-ATLSCFEFSA-N 2 2 304.865 3.470 20 0 DGADLP COCC[N@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH+](C)CC1 ZINC001207279163 1091907918 /nfs/dbraw/zinc/90/79/18/1091907918.db2.gz LODCPMUVUYHSCJ-KRWDZBQOSA-N 2 2 308.510 3.412 20 0 DGADLP COCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH+](C)CC1 ZINC001207279163 1091907927 /nfs/dbraw/zinc/90/79/27/1091907927.db2.gz LODCPMUVUYHSCJ-KRWDZBQOSA-N 2 2 308.510 3.412 20 0 DGADLP CC(C)CCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276527196 1091941060 /nfs/dbraw/zinc/94/10/60/1091941060.db2.gz JBPAXYRFCBMZJQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276527196 1091941065 /nfs/dbraw/zinc/94/10/65/1091941065.db2.gz JBPAXYRFCBMZJQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276527196 1091941069 /nfs/dbraw/zinc/94/10/69/1091941069.db2.gz JBPAXYRFCBMZJQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276527196 1091941073 /nfs/dbraw/zinc/94/10/73/1091941073.db2.gz JBPAXYRFCBMZJQ-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP COc1cccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207434811 1091969087 /nfs/dbraw/zinc/96/90/87/1091969087.db2.gz WYCGJWHOCWAUIZ-GOSISDBHSA-N 2 2 312.413 3.094 20 0 DGADLP COc1cccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207434811 1091969095 /nfs/dbraw/zinc/96/90/95/1091969095.db2.gz WYCGJWHOCWAUIZ-GOSISDBHSA-N 2 2 312.413 3.094 20 0 DGADLP Fc1ccccc1CC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001207501990 1091993111 /nfs/dbraw/zinc/99/31/11/1091993111.db2.gz DBCDYURSSGEPAP-UHFFFAOYSA-N 2 2 308.416 3.267 20 0 DGADLP COCC[N@H+](CCc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001207521365 1092004405 /nfs/dbraw/zinc/00/44/05/1092004405.db2.gz VHLKUWJPVFXXFN-UHFFFAOYSA-N 2 2 318.505 3.395 20 0 DGADLP COCC[N@@H+](CCc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001207521365 1092004413 /nfs/dbraw/zinc/00/44/13/1092004413.db2.gz VHLKUWJPVFXXFN-UHFFFAOYSA-N 2 2 318.505 3.395 20 0 DGADLP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000716319200 1092037413 /nfs/dbraw/zinc/03/74/13/1092037413.db2.gz OBOGCYCXTOVSRS-KSSFIOAISA-N 2 2 310.445 3.416 20 0 DGADLP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000716319200 1092037423 /nfs/dbraw/zinc/03/74/23/1092037423.db2.gz OBOGCYCXTOVSRS-KSSFIOAISA-N 2 2 310.445 3.416 20 0 DGADLP c1cc(-c2ccccn2)sc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001141005423 1092103556 /nfs/dbraw/zinc/10/35/56/1092103556.db2.gz HNPXHPQNSATOFV-UHFFFAOYSA-N 2 2 313.470 3.480 20 0 DGADLP CCCCc1[nH]c(CN(CC[NH+](C)C)Cc2ccccc2)c[nH+]1 ZINC001141066883 1092125427 /nfs/dbraw/zinc/12/54/27/1092125427.db2.gz NDGFUIACUPVRIK-UHFFFAOYSA-N 2 2 314.477 3.316 20 0 DGADLP CCCCc1[nH]cc(CN(CC[NH+](C)C)Cc2ccccc2)[nH+]1 ZINC001141066883 1092125433 /nfs/dbraw/zinc/12/54/33/1092125433.db2.gz NDGFUIACUPVRIK-UHFFFAOYSA-N 2 2 314.477 3.316 20 0 DGADLP CCCCc1[nH]c(CN2CCC([NH+]3CCC(F)CC3)CC2)c[nH+]1 ZINC001141071703 1092128434 /nfs/dbraw/zinc/12/84/34/1092128434.db2.gz AYSVQZTYSFAWOJ-UHFFFAOYSA-N 2 2 322.472 3.151 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccnc3ccc(OC)cc23)CC1 ZINC001141152674 1092153848 /nfs/dbraw/zinc/15/38/48/1092153848.db2.gz PKJAJODDDGPPCY-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccnc3ccc(OC)cc23)CC1 ZINC001141152674 1092153856 /nfs/dbraw/zinc/15/38/56/1092153856.db2.gz PKJAJODDDGPPCY-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC(C)[N@H+](Cc1cccc(-n2ccnc2)c1)C1CC[NH+](C)CC1 ZINC001141243492 1092190151 /nfs/dbraw/zinc/19/01/51/1092190151.db2.gz KFKCBGMGRUDGAZ-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(-n2ccnc2)c1)C1CC[NH+](C)CC1 ZINC001141243492 1092190154 /nfs/dbraw/zinc/19/01/54/1092190154.db2.gz KFKCBGMGRUDGAZ-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC/C=C\CCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001208134374 1092207062 /nfs/dbraw/zinc/20/70/62/1092207062.db2.gz JGOHNDKWOHHXLD-ARJAWSKDSA-N 2 2 300.406 3.024 20 0 DGADLP CC/C=C\CCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001208134374 1092207071 /nfs/dbraw/zinc/20/70/71/1092207071.db2.gz JGOHNDKWOHHXLD-ARJAWSKDSA-N 2 2 300.406 3.024 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590629 1092285973 /nfs/dbraw/zinc/28/59/73/1092285973.db2.gz HQJHPMGXNGRCEL-SJKOYZFVSA-N 2 2 303.837 3.347 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590629 1092285990 /nfs/dbraw/zinc/28/59/90/1092285990.db2.gz HQJHPMGXNGRCEL-SJKOYZFVSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590629 1092285998 /nfs/dbraw/zinc/28/59/98/1092285998.db2.gz HQJHPMGXNGRCEL-SJKOYZFVSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@H]21 ZINC001141590629 1092286008 /nfs/dbraw/zinc/28/60/08/1092286008.db2.gz HQJHPMGXNGRCEL-SJKOYZFVSA-N 2 2 303.837 3.347 20 0 DGADLP c1cc2c(c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c1)OCO2 ZINC001141956560 1092367866 /nfs/dbraw/zinc/36/78/66/1092367866.db2.gz NCSHXOFGWDNENY-QGZVFWFLSA-N 2 2 316.445 3.256 20 0 DGADLP c1cc2c(c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c1)OCO2 ZINC001141956560 1092367879 /nfs/dbraw/zinc/36/78/79/1092367879.db2.gz NCSHXOFGWDNENY-QGZVFWFLSA-N 2 2 316.445 3.256 20 0 DGADLP CC[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001208601681 1092422021 /nfs/dbraw/zinc/42/20/21/1092422021.db2.gz QVOZOBBNHJZOSY-UHFFFAOYSA-N 3 2 312.461 3.036 20 0 DGADLP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001208601681 1092422026 /nfs/dbraw/zinc/42/20/26/1092422026.db2.gz QVOZOBBNHJZOSY-UHFFFAOYSA-N 3 2 312.461 3.036 20 0 DGADLP CC[NH+]1CCC(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208604411 1092422171 /nfs/dbraw/zinc/42/21/71/1092422171.db2.gz OMAWUKCXWSWFBZ-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP CC[NH+]1CCC(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208604411 1092422177 /nfs/dbraw/zinc/42/21/77/1092422177.db2.gz OMAWUKCXWSWFBZ-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP CCCCC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648640 1092440624 /nfs/dbraw/zinc/44/06/24/1092440624.db2.gz LBWZDMMZFPRGJV-KRWDZBQOSA-N 2 2 317.477 3.391 20 0 DGADLP CC/C=C\CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727830 1092476038 /nfs/dbraw/zinc/47/60/38/1092476038.db2.gz JCDXZXWUIQBUQP-HFZJXRFXSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727830 1092476039 /nfs/dbraw/zinc/47/60/39/1092476039.db2.gz JCDXZXWUIQBUQP-HFZJXRFXSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208727830 1092476041 /nfs/dbraw/zinc/47/60/41/1092476041.db2.gz JCDXZXWUIQBUQP-HFZJXRFXSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208727830 1092476044 /nfs/dbraw/zinc/47/60/44/1092476044.db2.gz JCDXZXWUIQBUQP-HFZJXRFXSA-N 2 2 305.491 3.396 20 0 DGADLP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736414 1092484302 /nfs/dbraw/zinc/48/43/02/1092484302.db2.gz ZHHIMYBYWVMNOA-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736414 1092484307 /nfs/dbraw/zinc/48/43/07/1092484307.db2.gz ZHHIMYBYWVMNOA-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208736414 1092484311 /nfs/dbraw/zinc/48/43/11/1092484311.db2.gz ZHHIMYBYWVMNOA-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208736414 1092484317 /nfs/dbraw/zinc/48/43/17/1092484317.db2.gz ZHHIMYBYWVMNOA-HOTGVXAUSA-N 2 2 307.507 3.476 20 0 DGADLP Nc1cc[nH+]c2cc(NCCc3cn4ccccc4[nH+]3)ccc12 ZINC001169009926 1092488129 /nfs/dbraw/zinc/48/81/29/1092488129.db2.gz XFLKEIYRBLGISO-UHFFFAOYSA-N 2 2 303.369 3.119 20 0 DGADLP c1ccc(N2CCC(C[N@@H+]3CCC[NH+]4CCC[C@@H]4C3)CC2)cc1 ZINC001208914795 1092582504 /nfs/dbraw/zinc/58/25/04/1092582504.db2.gz RMLYJYIBDRJIDM-HXUWFJFHSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CCC(C[N@H+]3CCC[NH+]4CCC[C@@H]4C3)CC2)cc1 ZINC001208914795 1092582512 /nfs/dbraw/zinc/58/25/12/1092582512.db2.gz RMLYJYIBDRJIDM-HXUWFJFHSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CCC(C[NH+]3CCC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC001208914795 1092582519 /nfs/dbraw/zinc/58/25/19/1092582519.db2.gz RMLYJYIBDRJIDM-HXUWFJFHSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CCC(C[NH+]3CCC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC001208914795 1092582527 /nfs/dbraw/zinc/58/25/27/1092582527.db2.gz RMLYJYIBDRJIDM-HXUWFJFHSA-N 2 2 313.489 3.073 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001169230418 1092603914 /nfs/dbraw/zinc/60/39/14/1092603914.db2.gz BFBGHOSLSCGTOI-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946451 1092604749 /nfs/dbraw/zinc/60/47/49/1092604749.db2.gz VUTNCTRPPWFBRW-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946451 1092604754 /nfs/dbraw/zinc/60/47/54/1092604754.db2.gz VUTNCTRPPWFBRW-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946451 1092604760 /nfs/dbraw/zinc/60/47/60/1092604760.db2.gz VUTNCTRPPWFBRW-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC001208946451 1092604765 /nfs/dbraw/zinc/60/47/65/1092604765.db2.gz VUTNCTRPPWFBRW-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001169240711 1092612371 /nfs/dbraw/zinc/61/23/71/1092612371.db2.gz BYIHJVWWULHWEQ-UHFFFAOYSA-N 2 2 303.381 3.055 20 0 DGADLP CCOC(=O)[C@H]1CC[C@H](C[N@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001209010305 1092623481 /nfs/dbraw/zinc/62/34/81/1092623481.db2.gz CYMRJNVEEKJYCA-QAQDUYKDSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001209010305 1092623483 /nfs/dbraw/zinc/62/34/83/1092623483.db2.gz CYMRJNVEEKJYCA-QAQDUYKDSA-N 2 2 324.509 3.161 20 0 DGADLP COc1cc(C)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143163505 1092625908 /nfs/dbraw/zinc/62/59/08/1092625908.db2.gz GOSJYKACFRBINM-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1cc(C)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001143163505 1092625911 /nfs/dbraw/zinc/62/59/11/1092625911.db2.gz GOSJYKACFRBINM-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001143342646 1092658279 /nfs/dbraw/zinc/65/82/79/1092658279.db2.gz RHMFCRBJDYGFEP-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC001143342646 1092658282 /nfs/dbraw/zinc/65/82/82/1092658282.db2.gz RHMFCRBJDYGFEP-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263039 1092717552 /nfs/dbraw/zinc/71/75/52/1092717552.db2.gz KJEDOZRZMWPCNQ-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263039 1092717558 /nfs/dbraw/zinc/71/75/58/1092717558.db2.gz KJEDOZRZMWPCNQ-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263039 1092717560 /nfs/dbraw/zinc/71/75/60/1092717560.db2.gz KJEDOZRZMWPCNQ-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCOCc3ccccc3)C[C@H]21 ZINC001209263039 1092717566 /nfs/dbraw/zinc/71/75/66/1092717566.db2.gz KJEDOZRZMWPCNQ-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP COc1cccc(C[N@H+](C)CCC[NH+]2CCCCC2)c1OC ZINC001209452106 1092779714 /nfs/dbraw/zinc/77/97/14/1092779714.db2.gz DAZNTBMEHFXIFG-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP COc1cccc(C[N@@H+](C)CCC[NH+]2CCCCC2)c1OC ZINC001209452106 1092779724 /nfs/dbraw/zinc/77/97/24/1092779724.db2.gz DAZNTBMEHFXIFG-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551463 1092822525 /nfs/dbraw/zinc/82/25/25/1092822525.db2.gz XMFBVGBNMOLWMP-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551463 1092822534 /nfs/dbraw/zinc/82/25/34/1092822534.db2.gz XMFBVGBNMOLWMP-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551463 1092822545 /nfs/dbraw/zinc/82/25/45/1092822545.db2.gz XMFBVGBNMOLWMP-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001209551463 1092822547 /nfs/dbraw/zinc/82/25/47/1092822547.db2.gz XMFBVGBNMOLWMP-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209733088 1092894500 /nfs/dbraw/zinc/89/45/00/1092894500.db2.gz GHDRCIOCGJYASP-NSHDSACASA-N 2 2 320.234 3.450 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209733088 1092894505 /nfs/dbraw/zinc/89/45/05/1092894505.db2.gz GHDRCIOCGJYASP-NSHDSACASA-N 2 2 320.234 3.450 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209733669 1092894606 /nfs/dbraw/zinc/89/46/06/1092894606.db2.gz RFAKNCLYYHISNT-NSHDSACASA-N 2 2 320.234 3.450 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209733669 1092894612 /nfs/dbraw/zinc/89/46/12/1092894612.db2.gz RFAKNCLYYHISNT-NSHDSACASA-N 2 2 320.234 3.450 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673949 1092936822 /nfs/dbraw/zinc/93/68/22/1092936822.db2.gz NJAQHRXOGHDLJV-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673949 1092936834 /nfs/dbraw/zinc/93/68/34/1092936834.db2.gz NJAQHRXOGHDLJV-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673949 1092936846 /nfs/dbraw/zinc/93/68/46/1092936846.db2.gz NJAQHRXOGHDLJV-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001276673949 1092936858 /nfs/dbraw/zinc/93/68/58/1092936858.db2.gz NJAQHRXOGHDLJV-GOSISDBHSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(N(C)c3ccc(F)cc3)cc2)C1 ZINC001210561216 1093209978 /nfs/dbraw/zinc/20/99/78/1093209978.db2.gz IXJNKLNBZMGIHR-UHFFFAOYSA-N 2 2 313.420 3.245 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(N(C)c3ccccc3C)cc2)C1 ZINC001210561849 1093211929 /nfs/dbraw/zinc/21/19/29/1093211929.db2.gz WSDMLGTVENIEMN-UHFFFAOYSA-N 2 2 309.457 3.414 20 0 DGADLP c1c[nH+]c(-c2ccc(Nc3cc[nH+]c(N4CCOCC4)c3)cc2)[nH]1 ZINC001213087104 1093513447 /nfs/dbraw/zinc/51/34/47/1093513447.db2.gz IPIROBYZGURNDO-UHFFFAOYSA-N 2 2 321.384 3.052 20 0 DGADLP Cc1cc(C)c(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c[nH+]1 ZINC001213515836 1093602132 /nfs/dbraw/zinc/60/21/32/1093602132.db2.gz OLCPRVQVNDOPTG-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP Cc1c[nH+]cc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)c1C ZINC001213531249 1093606466 /nfs/dbraw/zinc/60/64/66/1093606466.db2.gz XUUUXGNMEROSPQ-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190275 1093936314 /nfs/dbraw/zinc/93/63/14/1093936314.db2.gz UBSUMKAIKSGGRY-DXCKQFNASA-N 2 2 317.477 3.103 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044254 1094371776 /nfs/dbraw/zinc/37/17/76/1094371776.db2.gz REJQNHQDXSSFPJ-HOCLYGCPSA-N 2 2 317.477 3.460 20 0 DGADLP FC1(F)C[NH2+]CC[C@H]1Oc1cccc(C[NH+]2CCCCC2)c1 ZINC001218009118 1094557750 /nfs/dbraw/zinc/55/77/50/1094557750.db2.gz FMACIMISTRSTRO-MRXNPFEDSA-N 2 2 310.388 3.049 20 0 DGADLP Cc1[nH+]ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c1Br ZINC001337067085 1094839960 /nfs/dbraw/zinc/83/99/60/1094839960.db2.gz RSMZPGKDLGYAAP-UHFFFAOYSA-N 2 2 321.222 3.260 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3cc(F)ccc3c2)cc1 ZINC001218984174 1094920235 /nfs/dbraw/zinc/92/02/35/1094920235.db2.gz JKUZVHXUDAKVQW-GOSISDBHSA-N 2 2 323.371 3.190 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945759 1094990232 /nfs/dbraw/zinc/99/02/32/1094990232.db2.gz XTSPDXACXMQBTN-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945759 1094990241 /nfs/dbraw/zinc/99/02/41/1094990241.db2.gz XTSPDXACXMQBTN-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945759 1094990248 /nfs/dbraw/zinc/99/02/48/1094990248.db2.gz XTSPDXACXMQBTN-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945759 1094990255 /nfs/dbraw/zinc/99/02/55/1094990255.db2.gz XTSPDXACXMQBTN-IIDMSEBBSA-N 2 2 304.865 3.223 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000313750165 1095018943 /nfs/dbraw/zinc/01/89/43/1095018943.db2.gz MUHQUKQXLIRWDT-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000313750165 1095018958 /nfs/dbraw/zinc/01/89/58/1095018958.db2.gz MUHQUKQXLIRWDT-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2C)C1 ZINC000313669624 1095015859 /nfs/dbraw/zinc/01/58/59/1095015859.db2.gz AXRAWJWSSJQWQI-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2C)C1 ZINC000313669624 1095015871 /nfs/dbraw/zinc/01/58/71/1095015871.db2.gz AXRAWJWSSJQWQI-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170971118 1095054816 /nfs/dbraw/zinc/05/48/16/1095054816.db2.gz NZUIUDVZQJZLLF-CVEARBPZSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170971118 1095054830 /nfs/dbraw/zinc/05/48/30/1095054830.db2.gz NZUIUDVZQJZLLF-CVEARBPZSA-N 2 2 304.453 3.393 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC001246299091 1095177866 /nfs/dbraw/zinc/17/78/66/1095177866.db2.gz FFPDXEHKDKOOTR-NWDGAFQWSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC001246299092 1095178096 /nfs/dbraw/zinc/17/80/96/1095178096.db2.gz FFPDXEHKDKOOTR-RYUDHWBXSA-N 2 2 309.251 3.168 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)cc(F)c2C)CC1 ZINC001143769513 1095369829 /nfs/dbraw/zinc/36/98/29/1095369829.db2.gz PIOPGMOBBMRZBH-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc(F)cc(F)c3C)CC2)cc[nH+]1 ZINC001143769169 1095370013 /nfs/dbraw/zinc/37/00/13/1095370013.db2.gz JBRLIBQBEDUSIL-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP CC[N@H+](Cc1cc(F)c(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143847327 1095402733 /nfs/dbraw/zinc/40/27/33/1095402733.db2.gz IKOXUKCEFIZUSM-UHFFFAOYSA-N 2 2 314.832 3.404 20 0 DGADLP CC[N@@H+](Cc1cc(F)c(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143847327 1095402736 /nfs/dbraw/zinc/40/27/36/1095402736.db2.gz IKOXUKCEFIZUSM-UHFFFAOYSA-N 2 2 314.832 3.404 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143854300 1095413724 /nfs/dbraw/zinc/41/37/24/1095413724.db2.gz TVMCGROEMIGVNR-UHFFFAOYSA-N 2 2 311.788 3.206 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143854300 1095413734 /nfs/dbraw/zinc/41/37/34/1095413734.db2.gz TVMCGROEMIGVNR-UHFFFAOYSA-N 2 2 311.788 3.206 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3C)C[C@@H]2C1 ZINC001143929384 1095434305 /nfs/dbraw/zinc/43/43/05/1095434305.db2.gz JCRBJKXWUHEQMD-GJZGRUSLSA-N 2 2 312.379 3.397 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141731 1095453223 /nfs/dbraw/zinc/45/32/23/1095453223.db2.gz RMIODRWRJYEVMT-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141731 1095453230 /nfs/dbraw/zinc/45/32/30/1095453230.db2.gz RMIODRWRJYEVMT-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP CC(C)Oc1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222155174 1095462889 /nfs/dbraw/zinc/46/28/89/1095462889.db2.gz XESUJOZPIBKQNA-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1c(F)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222155174 1095462896 /nfs/dbraw/zinc/46/28/96/1095462896.db2.gz XESUJOZPIBKQNA-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP Nc1nccc(Cl)c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160875 1095467338 /nfs/dbraw/zinc/46/73/38/1095467338.db2.gz JSFBSQXTKJJLDN-KRWDZBQOSA-N 2 2 322.884 3.063 20 0 DGADLP Nc1nccc(Cl)c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160875 1095467348 /nfs/dbraw/zinc/46/73/48/1095467348.db2.gz JSFBSQXTKJJLDN-KRWDZBQOSA-N 2 2 322.884 3.063 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC001171134825 1095498866 /nfs/dbraw/zinc/49/88/66/1095498866.db2.gz ZZBHMXIYDXQCRB-ZDUSSCGKSA-N 2 2 310.228 3.337 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136522 1095503536 /nfs/dbraw/zinc/50/35/36/1095503536.db2.gz UNAXJYOMMYOFKW-KBAYOESNSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136522 1095503545 /nfs/dbraw/zinc/50/35/45/1095503545.db2.gz UNAXJYOMMYOFKW-KBAYOESNSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136522 1095503557 /nfs/dbraw/zinc/50/35/57/1095503557.db2.gz UNAXJYOMMYOFKW-KBAYOESNSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136522 1095503567 /nfs/dbraw/zinc/50/35/67/1095503567.db2.gz UNAXJYOMMYOFKW-KBAYOESNSA-N 2 2 304.865 3.223 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222243590 1095507505 /nfs/dbraw/zinc/50/75/05/1095507505.db2.gz MQESBIZESZZMGM-LJQANCHMSA-N 2 2 310.445 3.103 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222243590 1095507516 /nfs/dbraw/zinc/50/75/16/1095507516.db2.gz MQESBIZESZZMGM-LJQANCHMSA-N 2 2 310.445 3.103 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265815 1095521292 /nfs/dbraw/zinc/52/12/92/1095521292.db2.gz ZTXFGRWWEGZZTO-FQEVSTJZSA-N 3 2 324.472 3.146 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265815 1095521303 /nfs/dbraw/zinc/52/13/03/1095521303.db2.gz ZTXFGRWWEGZZTO-FQEVSTJZSA-N 3 2 324.472 3.146 20 0 DGADLP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277431 1095525756 /nfs/dbraw/zinc/52/57/56/1095525756.db2.gz OAMZIGPOPYSLRP-GOSISDBHSA-N 2 2 306.425 3.108 20 0 DGADLP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277431 1095525767 /nfs/dbraw/zinc/52/57/67/1095525767.db2.gz OAMZIGPOPYSLRP-GOSISDBHSA-N 2 2 306.425 3.108 20 0 DGADLP FC1(F)Oc2ccc(C[NH+]3CCC4(CCCC[NH2+]4)CC3)cc2O1 ZINC001222293323 1095534096 /nfs/dbraw/zinc/53/40/96/1095534096.db2.gz USNAGGXEEDWENK-UHFFFAOYSA-N 2 2 324.371 3.116 20 0 DGADLP FC(F)Oc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222292458 1095534243 /nfs/dbraw/zinc/53/42/43/1095534243.db2.gz AHQFBMVGLFJACB-UHFFFAOYSA-N 2 2 310.388 3.396 20 0 DGADLP FC(F)(F)c1ccccc1CCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335300 1095556469 /nfs/dbraw/zinc/55/64/69/1095556469.db2.gz FAFNQYJNIAPQST-UHFFFAOYSA-N 2 2 312.379 3.323 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222369657 1095576727 /nfs/dbraw/zinc/57/67/27/1095576727.db2.gz ZWBSSIIVHMIWRJ-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222369657 1095576734 /nfs/dbraw/zinc/57/67/34/1095576734.db2.gz ZWBSSIIVHMIWRJ-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[NH+]2CC3(C2)CC[NH2+]C3)c1 ZINC001222379671 1095580976 /nfs/dbraw/zinc/58/09/76/1095580976.db2.gz HQWBNLQGRACBBK-UHFFFAOYSA-N 2 2 308.425 3.158 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cncnc3)C[C@@H]21 ZINC001137667326 1095705156 /nfs/dbraw/zinc/70/51/56/1095705156.db2.gz KNSJHYNIFMQLMT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cncnc3)C[C@@H]21 ZINC001137667326 1095705168 /nfs/dbraw/zinc/70/51/68/1095705168.db2.gz KNSJHYNIFMQLMT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cncnc3)C[C@@H]21 ZINC001137667326 1095705178 /nfs/dbraw/zinc/70/51/78/1095705178.db2.gz KNSJHYNIFMQLMT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cncnc3)C[C@@H]21 ZINC001137667326 1095705190 /nfs/dbraw/zinc/70/51/90/1095705190.db2.gz KNSJHYNIFMQLMT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713868 1095719914 /nfs/dbraw/zinc/71/99/14/1095719914.db2.gz BNVZOVARTNMRQK-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713868 1095719925 /nfs/dbraw/zinc/71/99/25/1095719925.db2.gz BNVZOVARTNMRQK-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713868 1095719935 /nfs/dbraw/zinc/71/99/35/1095719935.db2.gz BNVZOVARTNMRQK-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713868 1095719946 /nfs/dbraw/zinc/71/99/46/1095719946.db2.gz BNVZOVARTNMRQK-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc(-c2cncnc2)c1 ZINC001137763399 1095734311 /nfs/dbraw/zinc/73/43/11/1095734311.db2.gz OHMZHQKBXLZQDR-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2c1CCC2 ZINC001339825571 1095746454 /nfs/dbraw/zinc/74/64/54/1095746454.db2.gz CNUNJXSCYZDWCS-UHFFFAOYSA-N 2 2 318.380 3.317 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4scnc4c3)C[C@@H]2C1 ZINC001144743821 1095806228 /nfs/dbraw/zinc/80/62/28/1095806228.db2.gz BLBPBRYQZKYMLV-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4scnc4c3)C[C@@H]2C1 ZINC001144743821 1095806253 /nfs/dbraw/zinc/80/62/53/1095806253.db2.gz BLBPBRYQZKYMLV-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4scnc4c3)C[C@@H]2C1 ZINC001144743821 1095806274 /nfs/dbraw/zinc/80/62/74/1095806274.db2.gz BLBPBRYQZKYMLV-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4scnc4c3)C[C@@H]2C1 ZINC001144743821 1095806297 /nfs/dbraw/zinc/80/62/97/1095806297.db2.gz BLBPBRYQZKYMLV-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001340055816 1095840670 /nfs/dbraw/zinc/84/06/70/1095840670.db2.gz DQSOVEBTROTKRM-MEDUHNTESA-N 2 2 314.433 3.396 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001340153479 1095888138 /nfs/dbraw/zinc/88/81/38/1095888138.db2.gz BJFQDXWDJXXGML-OLMNPRSZSA-N 2 2 324.428 3.122 20 0 DGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001171259610 1095954181 /nfs/dbraw/zinc/95/41/81/1095954181.db2.gz XTEKVYYKEXXEIC-MSOLQXFVSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649649 1095960944 /nfs/dbraw/zinc/96/09/44/1095960944.db2.gz PVYAMNOIBZHIJG-ZDUSSCGKSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001340525803 1095969030 /nfs/dbraw/zinc/96/90/30/1095969030.db2.gz GBWLGMJNUZLBJT-GSEOLPGOSA-N 2 2 315.505 3.112 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118575527 1096039399 /nfs/dbraw/zinc/03/93/99/1096039399.db2.gz FIAPHBAXXRAIHA-LBPRGKRZSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118575527 1096039412 /nfs/dbraw/zinc/03/94/12/1096039412.db2.gz FIAPHBAXXRAIHA-LBPRGKRZSA-N 2 2 323.362 3.292 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[C@@H]([NH3+])CC(C)C)c2)[nH+]c1C ZINC001340825661 1096043081 /nfs/dbraw/zinc/04/30/81/1096043081.db2.gz ZWPZBYTUGNJSMC-HNNXBMFYSA-N 2 2 314.433 3.396 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H](n1c[nH+]c(C)c1CC[NH3+])CC2 ZINC001171291242 1096132115 /nfs/dbraw/zinc/13/21/15/1096132115.db2.gz DSFDYOHGXBEHGY-GFCCVEGCSA-N 2 2 319.836 3.085 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)CC2 ZINC001171292829 1096148990 /nfs/dbraw/zinc/14/89/90/1096148990.db2.gz OHRXPEPIKNCHAS-KBPBESRZSA-N 2 2 322.880 3.280 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378252 1096182704 /nfs/dbraw/zinc/18/27/04/1096182704.db2.gz YXKULJAQRZKVCA-ANOSYLROSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C=C[C@@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378252 1096182710 /nfs/dbraw/zinc/18/27/10/1096182710.db2.gz YXKULJAQRZKVCA-ANOSYLROSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)[nH+]c1C ZINC001119677943 1096244934 /nfs/dbraw/zinc/24/49/34/1096244934.db2.gz PVMVAVYEMJCVOI-UHFFFAOYSA-N 2 2 300.406 3.020 20 0 DGADLP Cc1cc[nH+]c2cc(N3c4ccccc4OC[C@@H]3C[NH3+])ccc12 ZINC001171392544 1096651575 /nfs/dbraw/zinc/65/15/75/1096651575.db2.gz FWLXQXCYYRDWCJ-HNNXBMFYSA-N 2 2 305.381 3.401 20 0 DGADLP FC(F)(F)c1ccccc1CC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226783035 1096775907 /nfs/dbraw/zinc/77/59/07/1096775907.db2.gz CVUXCEFPIUGNDZ-UHFFFAOYSA-N 2 2 312.379 3.466 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171446903 1096832787 /nfs/dbraw/zinc/83/27/87/1096832787.db2.gz WHPQDFSSGZFCCF-KRWDZBQOSA-N 2 2 304.453 3.488 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171446903 1096832793 /nfs/dbraw/zinc/83/27/93/1096832793.db2.gz WHPQDFSSGZFCCF-KRWDZBQOSA-N 2 2 304.453 3.488 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507493 1096914355 /nfs/dbraw/zinc/91/43/55/1096914355.db2.gz LBUAGIWAVOVLSC-CYBMUJFWSA-N 2 2 314.395 3.283 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507493 1096914358 /nfs/dbraw/zinc/91/43/58/1096914358.db2.gz LBUAGIWAVOVLSC-CYBMUJFWSA-N 2 2 314.395 3.283 20 0 DGADLP Cc1[nH+]cn([C@@H]2CCc3c(C)cccc3C2)c1CSCC[NH3+] ZINC001171553068 1096922123 /nfs/dbraw/zinc/92/21/23/1096922123.db2.gz LEZJSRQQNZBTNY-MRXNPFEDSA-N 2 2 315.486 3.422 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001171563007 1096924240 /nfs/dbraw/zinc/92/42/40/1096924240.db2.gz BSHQKNLXQUFJIY-VQTJNVASSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001171563007 1096924242 /nfs/dbraw/zinc/92/42/42/1096924242.db2.gz BSHQKNLXQUFJIY-VQTJNVASSA-N 2 2 306.453 3.238 20 0 DGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1nnc2ccccn21 ZINC001171613787 1096934747 /nfs/dbraw/zinc/93/47/47/1096934747.db2.gz QAZGBLGHRRYJTE-CYBMUJFWSA-N 2 2 315.465 3.031 20 0 DGADLP C[C@H]1C[C@H](NCc2[nH+]cn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001171739977 1096973528 /nfs/dbraw/zinc/97/35/28/1096973528.db2.gz RFSLWODBHSSCTR-WMZOPIPTSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1C[C@H](NCc2[nH+]cn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC001171739977 1096973533 /nfs/dbraw/zinc/97/35/33/1096973533.db2.gz RFSLWODBHSSCTR-WMZOPIPTSA-N 2 2 320.440 3.087 20 0 DGADLP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784012 1096977256 /nfs/dbraw/zinc/97/72/56/1096977256.db2.gz HPNKTPJGIFLVEB-HNNXBMFYSA-N 2 2 316.449 3.013 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCCC[NH2+]CCCF)c(C)[nH+]1 ZINC001171859389 1096992882 /nfs/dbraw/zinc/99/28/82/1096992882.db2.gz BYQWTIBRWXLKJV-CQSZACIVSA-N 2 2 323.456 3.245 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC001171957730 1097004117 /nfs/dbraw/zinc/00/41/17/1097004117.db2.gz BNOHYXWANFXGKF-CYBMUJFWSA-N 2 2 300.368 3.322 20 0 DGADLP CC(C)[NH+]1CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972649 1097022117 /nfs/dbraw/zinc/02/21/17/1097022117.db2.gz SACCCDSDABDNRM-GOSISDBHSA-N 2 2 315.505 3.112 20 0 DGADLP CC(C)N1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972649 1097022122 /nfs/dbraw/zinc/02/21/22/1097022122.db2.gz SACCCDSDABDNRM-GOSISDBHSA-N 2 2 315.505 3.112 20 0 DGADLP CC(C)N1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972649 1097022127 /nfs/dbraw/zinc/02/21/27/1097022127.db2.gz SACCCDSDABDNRM-GOSISDBHSA-N 2 2 315.505 3.112 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cccnn2)CC[N@@H+]1Cc1ccccc1 ZINC001171972048 1097022337 /nfs/dbraw/zinc/02/23/37/1097022337.db2.gz MHUOOYVHNUMPKS-KRWDZBQOSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cccnn2)CC[N@H+]1Cc1ccccc1 ZINC001171972048 1097022343 /nfs/dbraw/zinc/02/23/43/1097022343.db2.gz MHUOOYVHNUMPKS-KRWDZBQOSA-N 2 2 310.445 3.009 20 0 DGADLP [NH3+][C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@H]1F ZINC001206155988 1097041047 /nfs/dbraw/zinc/04/10/47/1097041047.db2.gz ODLNBZKYFOXEBT-KGLIPLIRSA-N 2 2 305.224 3.297 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)CC[C@H]1F ZINC001206155988 1097041054 /nfs/dbraw/zinc/04/10/54/1097041054.db2.gz ODLNBZKYFOXEBT-KGLIPLIRSA-N 2 2 305.224 3.297 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cnccn2)C3)cc1 ZINC001172062575 1097042724 /nfs/dbraw/zinc/04/27/24/1097042724.db2.gz PZTGGJTWZHLXBG-VJDPLVQDSA-N 2 2 322.456 3.152 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cnccn2)C3)cc1 ZINC001172062575 1097042729 /nfs/dbraw/zinc/04/27/29/1097042729.db2.gz PZTGGJTWZHLXBG-VJDPLVQDSA-N 2 2 322.456 3.152 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172105337 1097055132 /nfs/dbraw/zinc/05/51/32/1097055132.db2.gz HNVRLRHMFXTZNB-CLLJXQQHSA-N 2 2 310.388 3.078 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172105337 1097055135 /nfs/dbraw/zinc/05/51/35/1097055135.db2.gz HNVRLRHMFXTZNB-CLLJXQQHSA-N 2 2 310.388 3.078 20 0 DGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172238479 1097088689 /nfs/dbraw/zinc/08/86/89/1097088689.db2.gz MWFJLDGBQJQYOE-IHWFROFDSA-N 2 2 312.457 3.069 20 0 DGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172238479 1097088693 /nfs/dbraw/zinc/08/86/93/1097088693.db2.gz MWFJLDGBQJQYOE-IHWFROFDSA-N 2 2 312.457 3.069 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163273 1097093395 /nfs/dbraw/zinc/09/33/95/1097093395.db2.gz BIRUJSQMDWUBSE-GJZGRUSLSA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163273 1097093402 /nfs/dbraw/zinc/09/34/02/1097093402.db2.gz BIRUJSQMDWUBSE-GJZGRUSLSA-N 2 2 314.832 3.388 20 0 DGADLP CC[C@H](C)OCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172323755 1097100927 /nfs/dbraw/zinc/10/09/27/1097100927.db2.gz JGFLICVEDOBOMB-HOTGVXAUSA-N 2 2 305.466 3.234 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CO1 ZINC001172281290 1097102321 /nfs/dbraw/zinc/10/23/21/1097102321.db2.gz RXTHDUOQRWZENM-CYBMUJFWSA-N 2 2 308.853 3.157 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CO1 ZINC001172288372 1097104914 /nfs/dbraw/zinc/10/49/14/1097104914.db2.gz HNNFMNYRDONXNI-IBGZPJMESA-N 2 2 314.473 3.077 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CO1 ZINC001172288372 1097104918 /nfs/dbraw/zinc/10/49/18/1097104918.db2.gz HNNFMNYRDONXNI-IBGZPJMESA-N 2 2 314.473 3.077 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@H]1C ZINC001172377900 1097112427 /nfs/dbraw/zinc/11/24/27/1097112427.db2.gz ZPMPYHAIZMQKKJ-ZJXIFLPPSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@H]1C ZINC001172377900 1097112432 /nfs/dbraw/zinc/11/24/32/1097112432.db2.gz ZPMPYHAIZMQKKJ-ZJXIFLPPSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C[C@H]1C ZINC001172377900 1097112436 /nfs/dbraw/zinc/11/24/36/1097112436.db2.gz ZPMPYHAIZMQKKJ-ZJXIFLPPSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C[C@H]1C ZINC001172377900 1097112439 /nfs/dbraw/zinc/11/24/39/1097112439.db2.gz ZPMPYHAIZMQKKJ-ZJXIFLPPSA-N 2 2 313.489 3.270 20 0 DGADLP CCOCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001172409706 1097131786 /nfs/dbraw/zinc/13/17/86/1097131786.db2.gz YCLYPBWBMUTJLX-MRXNPFEDSA-N 2 2 320.477 3.064 20 0 DGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CCOC(C)C)CC1 ZINC001172436857 1097152976 /nfs/dbraw/zinc/15/29/76/1097152976.db2.gz JQTZLITYSOTXOH-MRXNPFEDSA-N 2 2 320.477 3.149 20 0 DGADLP CC1(C)CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC001172647976 1097201280 /nfs/dbraw/zinc/20/12/80/1097201280.db2.gz QCTHGTHIJNILIN-UHFFFAOYSA-N 2 2 317.477 3.376 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001172716900 1097215140 /nfs/dbraw/zinc/21/51/40/1097215140.db2.gz STMZUKVZWTZDNN-GOSISDBHSA-N 2 2 304.865 3.367 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172750082 1097224875 /nfs/dbraw/zinc/22/48/75/1097224875.db2.gz DWCGQAYNOAGHDJ-AWEZNQCLSA-N 2 2 315.417 3.302 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172854986 1097262849 /nfs/dbraw/zinc/26/28/49/1097262849.db2.gz BAKRGYXKKLVVLA-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172854986 1097262856 /nfs/dbraw/zinc/26/28/56/1097262856.db2.gz BAKRGYXKKLVVLA-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172854986 1097262860 /nfs/dbraw/zinc/26/28/60/1097262860.db2.gz BAKRGYXKKLVVLA-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172854986 1097262865 /nfs/dbraw/zinc/26/28/65/1097262865.db2.gz BAKRGYXKKLVVLA-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173082301 1097326665 /nfs/dbraw/zinc/32/66/65/1097326665.db2.gz LKARCBMVXHTDMY-GXTWGEPZSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173082301 1097326668 /nfs/dbraw/zinc/32/66/68/1097326668.db2.gz LKARCBMVXHTDMY-GXTWGEPZSA-N 2 2 316.367 3.200 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Cl ZINC001206190237 1097330147 /nfs/dbraw/zinc/33/01/47/1097330147.db2.gz ZWAREOYVODGXGJ-HUUCEWRRSA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Cl ZINC001206190237 1097330153 /nfs/dbraw/zinc/33/01/53/1097330153.db2.gz ZWAREOYVODGXGJ-HUUCEWRRSA-N 2 2 314.832 3.388 20 0 DGADLP CC[C@]1(c2cccc(OC3C[NH+](C)C3)c2)CCCC[N@H+](C)C1 ZINC001229646656 1097358957 /nfs/dbraw/zinc/35/89/57/1097358957.db2.gz CJAJPKDPLPDGAT-IBGZPJMESA-N 2 2 302.462 3.143 20 0 DGADLP CC[C@]1(c2cccc(OC3C[NH+](C)C3)c2)CCCC[N@@H+](C)C1 ZINC001229646656 1097358964 /nfs/dbraw/zinc/35/89/64/1097358964.db2.gz CJAJPKDPLPDGAT-IBGZPJMESA-N 2 2 302.462 3.143 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2OC)C1 ZINC001173277590 1097410105 /nfs/dbraw/zinc/41/01/05/1097410105.db2.gz UYFSRLFXMUMPCS-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2OC)C1 ZINC001173277590 1097410111 /nfs/dbraw/zinc/41/01/11/1097410111.db2.gz UYFSRLFXMUMPCS-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP CCSC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001173290157 1097415012 /nfs/dbraw/zinc/41/50/12/1097415012.db2.gz ALFAADGMKHIQDQ-AEFFLSMTSA-N 2 2 306.519 3.425 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277451452 1097465388 /nfs/dbraw/zinc/46/53/88/1097465388.db2.gz BFDGUPLCHROFTP-APWZRJJASA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277451452 1097465394 /nfs/dbraw/zinc/46/53/94/1097465394.db2.gz BFDGUPLCHROFTP-APWZRJJASA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277451452 1097465399 /nfs/dbraw/zinc/46/53/99/1097465399.db2.gz BFDGUPLCHROFTP-APWZRJJASA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277451452 1097465406 /nfs/dbraw/zinc/46/54/06/1097465406.db2.gz BFDGUPLCHROFTP-APWZRJJASA-N 2 2 318.509 3.241 20 0 DGADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc3c(cc1O)C=[NH+]CC3)C2 ZINC001230920933 1097623628 /nfs/dbraw/zinc/62/36/28/1097623628.db2.gz YJJQJUARBULLNC-FVQHAEBGSA-N 2 2 314.429 3.150 20 0 DGADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc3c(cc1O)C=[NH+]CC3)C2 ZINC001230920933 1097623635 /nfs/dbraw/zinc/62/36/35/1097623635.db2.gz YJJQJUARBULLNC-FVQHAEBGSA-N 2 2 314.429 3.150 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC001277545026 1097798926 /nfs/dbraw/zinc/79/89/26/1097798926.db2.gz YUJRZEREFVRZBV-CEXWTWQISA-N 2 2 318.509 3.106 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC001277545026 1097798931 /nfs/dbraw/zinc/79/89/31/1097798931.db2.gz YUJRZEREFVRZBV-CEXWTWQISA-N 2 2 318.509 3.106 20 0 DGADLP CCc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1 ZINC001231646861 1097801889 /nfs/dbraw/zinc/80/18/89/1097801889.db2.gz PRFRLLHCQDCJCT-UHFFFAOYSA-N 2 2 301.478 3.483 20 0 DGADLP CCc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1 ZINC001231646861 1097801896 /nfs/dbraw/zinc/80/18/96/1097801896.db2.gz PRFRLLHCQDCJCT-UHFFFAOYSA-N 2 2 301.478 3.483 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC)nc2)CC1 ZINC001231656308 1097804423 /nfs/dbraw/zinc/80/44/23/1097804423.db2.gz KHASYQTZHPHAAP-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC)nc2)CC1 ZINC001231656308 1097804428 /nfs/dbraw/zinc/80/44/28/1097804428.db2.gz KHASYQTZHPHAAP-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP COc1cccc2c(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c[nH]c21 ZINC001231898029 1097883938 /nfs/dbraw/zinc/88/39/38/1097883938.db2.gz XLMCVPVEIHIIBF-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP COc1cccc2c(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c[nH]c21 ZINC001231898029 1097883945 /nfs/dbraw/zinc/88/39/45/1097883945.db2.gz XLMCVPVEIHIIBF-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP CC[N@H+](Cc1c[nH]c2c1cccc2OC)C1CC[NH+](C)CC1 ZINC001231900707 1097885006 /nfs/dbraw/zinc/88/50/06/1097885006.db2.gz NLCWYLVYNQQHSX-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2OC)C1CC[NH+](C)CC1 ZINC001231900707 1097885013 /nfs/dbraw/zinc/88/50/13/1097885013.db2.gz NLCWYLVYNQQHSX-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cnc1F ZINC001231927666 1097894695 /nfs/dbraw/zinc/89/46/95/1097894695.db2.gz WMHRRQLNWIRFGC-KRWDZBQOSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cnc1F ZINC001231927666 1097894701 /nfs/dbraw/zinc/89/47/01/1097894701.db2.gz WMHRRQLNWIRFGC-KRWDZBQOSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cnc1F ZINC001231929283 1097895530 /nfs/dbraw/zinc/89/55/30/1097895530.db2.gz CGLDKTQHCBBUPI-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cnc1F ZINC001231929283 1097895537 /nfs/dbraw/zinc/89/55/37/1097895537.db2.gz CGLDKTQHCBBUPI-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001231983823 1097907438 /nfs/dbraw/zinc/90/74/38/1097907438.db2.gz FMBNPEIJUWUQJV-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001231983823 1097907442 /nfs/dbraw/zinc/90/74/42/1097907442.db2.gz FMBNPEIJUWUQJV-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001231983823 1097907447 /nfs/dbraw/zinc/90/74/47/1097907447.db2.gz FMBNPEIJUWUQJV-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001231983823 1097907452 /nfs/dbraw/zinc/90/74/52/1097907452.db2.gz FMBNPEIJUWUQJV-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001232145348 1097949591 /nfs/dbraw/zinc/94/95/91/1097949591.db2.gz QJBOMXRHKNFZTC-QZTJIDSGSA-N 2 2 318.436 3.221 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001232145348 1097949598 /nfs/dbraw/zinc/94/95/98/1097949598.db2.gz QJBOMXRHKNFZTC-QZTJIDSGSA-N 2 2 318.436 3.221 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001232143682 1097949722 /nfs/dbraw/zinc/94/97/22/1097949722.db2.gz BOSAYDJJBCVTQC-OAHLLOKOSA-N 2 2 318.358 3.457 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001232143682 1097949728 /nfs/dbraw/zinc/94/97/28/1097949728.db2.gz BOSAYDJJBCVTQC-OAHLLOKOSA-N 2 2 318.358 3.457 20 0 DGADLP c1cc(N2CCCC2)c(Nc2ccc(N3CCCC3)[nH+]c2)c[nH+]1 ZINC001175347877 1098004165 /nfs/dbraw/zinc/00/41/65/1098004165.db2.gz VFYXUYPMEJBIIP-UHFFFAOYSA-N 2 2 309.417 3.421 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001232383670 1098020355 /nfs/dbraw/zinc/02/03/55/1098020355.db2.gz GWWSVKHYCZHCDY-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001232383670 1098020359 /nfs/dbraw/zinc/02/03/59/1098020359.db2.gz GWWSVKHYCZHCDY-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP Cc1ccc[nH+]c1N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277707373 1098123889 /nfs/dbraw/zinc/12/38/89/1098123889.db2.gz BSHARGCUBOQUSC-UHFFFAOYSA-N 2 2 307.441 3.374 20 0 DGADLP Cc1ncc(F)cc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001232992011 1098195969 /nfs/dbraw/zinc/19/59/69/1098195969.db2.gz GUTJEGSCLNQDDT-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1ncc(F)cc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001232992011 1098195973 /nfs/dbraw/zinc/19/59/73/1098195973.db2.gz GUTJEGSCLNQDDT-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cnc1C ZINC001233162058 1098240047 /nfs/dbraw/zinc/24/00/47/1098240047.db2.gz PXWPBMWSUUUODT-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cnc1C ZINC001233162058 1098240050 /nfs/dbraw/zinc/24/00/50/1098240050.db2.gz PXWPBMWSUUUODT-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cnc1C ZINC001233162058 1098240055 /nfs/dbraw/zinc/24/00/55/1098240055.db2.gz PXWPBMWSUUUODT-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cnc1C ZINC001233162058 1098240061 /nfs/dbraw/zinc/24/00/61/1098240061.db2.gz PXWPBMWSUUUODT-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206262671 1098268617 /nfs/dbraw/zinc/26/86/17/1098268617.db2.gz DKXYAUSVPSNJOP-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001206262671 1098268623 /nfs/dbraw/zinc/26/86/23/1098268623.db2.gz DKXYAUSVPSNJOP-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233433904 1098332187 /nfs/dbraw/zinc/33/21/87/1098332187.db2.gz UTZLTWVQKSVQHI-UHFFFAOYSA-N 2 2 323.481 3.435 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233433904 1098332193 /nfs/dbraw/zinc/33/21/93/1098332193.db2.gz UTZLTWVQKSVQHI-UHFFFAOYSA-N 2 2 323.481 3.435 20 0 DGADLP FC(F)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001177566162 1098556003 /nfs/dbraw/zinc/55/60/03/1098556003.db2.gz PGKUMBDUATVHBG-UHFFFAOYSA-N 2 2 314.339 3.495 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001177822462 1098607446 /nfs/dbraw/zinc/60/74/46/1098607446.db2.gz KDMCSHJXCQRNNM-QZTJIDSGSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001177822462 1098607451 /nfs/dbraw/zinc/60/74/51/1098607451.db2.gz KDMCSHJXCQRNNM-QZTJIDSGSA-N 2 2 302.462 3.017 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c(OCc2ccccc2)c1 ZINC001235025543 1098756887 /nfs/dbraw/zinc/75/68/87/1098756887.db2.gz FCQOCVRTSALHEZ-UHFFFAOYSA-N 2 2 322.452 3.369 20 0 DGADLP Cc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)c(OCc2ccccc2)c1 ZINC001235025543 1098756894 /nfs/dbraw/zinc/75/68/94/1098756894.db2.gz FCQOCVRTSALHEZ-UHFFFAOYSA-N 2 2 322.452 3.369 20 0 DGADLP c1cc(Oc2ccccc2)c(C[N@@H+]2CCC3(C[NH2+]C3)C2)s1 ZINC001235024568 1098757052 /nfs/dbraw/zinc/75/70/52/1098757052.db2.gz NYDCLEDPJNZIOV-UHFFFAOYSA-N 2 2 300.427 3.336 20 0 DGADLP c1cc(Oc2ccccc2)c(C[N@H+]2CCC3(C[NH2+]C3)C2)s1 ZINC001235024568 1098757061 /nfs/dbraw/zinc/75/70/61/1098757061.db2.gz NYDCLEDPJNZIOV-UHFFFAOYSA-N 2 2 300.427 3.336 20 0 DGADLP Fc1ccc(Oc2ccccc2C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025300 1098757094 /nfs/dbraw/zinc/75/70/94/1098757094.db2.gz ZBBYRAKZDPVDEU-UHFFFAOYSA-N 2 2 312.388 3.413 20 0 DGADLP Fc1ccc(Oc2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025300 1098757100 /nfs/dbraw/zinc/75/71/00/1098757100.db2.gz ZBBYRAKZDPVDEU-UHFFFAOYSA-N 2 2 312.388 3.413 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025351 1098757113 /nfs/dbraw/zinc/75/71/13/1098757113.db2.gz ZXXXATYNQPZOMR-UHFFFAOYSA-N 2 2 302.365 3.094 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025351 1098757121 /nfs/dbraw/zinc/75/71/21/1098757121.db2.gz ZXXXATYNQPZOMR-UHFFFAOYSA-N 2 2 302.365 3.094 20 0 DGADLP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235026684 1098757367 /nfs/dbraw/zinc/75/73/67/1098757367.db2.gz PWHOFPWFQHHWCI-AZUAARDMSA-N 2 2 308.425 3.059 20 0 DGADLP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235026684 1098757375 /nfs/dbraw/zinc/75/73/75/1098757375.db2.gz PWHOFPWFQHHWCI-AZUAARDMSA-N 2 2 308.425 3.059 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235036066 1098764240 /nfs/dbraw/zinc/76/42/40/1098764240.db2.gz OWVSUFUPNGAFJZ-UHFFFAOYSA-N 2 2 301.409 3.347 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235038539 1098765485 /nfs/dbraw/zinc/76/54/85/1098765485.db2.gz JXAPWDYRYJEHFG-GOSISDBHSA-N 2 2 306.425 3.333 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235038539 1098765494 /nfs/dbraw/zinc/76/54/94/1098765494.db2.gz JXAPWDYRYJEHFG-GOSISDBHSA-N 2 2 306.425 3.333 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040485 1098765650 /nfs/dbraw/zinc/76/56/50/1098765650.db2.gz STAPIVVANROBEZ-LJQANCHMSA-N 2 2 318.461 3.202 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040485 1098765657 /nfs/dbraw/zinc/76/56/57/1098765657.db2.gz STAPIVVANROBEZ-LJQANCHMSA-N 2 2 318.461 3.202 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036947 1098766967 /nfs/dbraw/zinc/76/69/67/1098766967.db2.gz DDFZHODQGSCTPX-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036947 1098766974 /nfs/dbraw/zinc/76/69/74/1098766974.db2.gz DDFZHODQGSCTPX-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046498 1098773372 /nfs/dbraw/zinc/77/33/72/1098773372.db2.gz QSYMFKUJGSAZMA-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046498 1098773383 /nfs/dbraw/zinc/77/33/83/1098773383.db2.gz QSYMFKUJGSAZMA-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277922868 1098799989 /nfs/dbraw/zinc/79/99/89/1098799989.db2.gz OFGAKYINGFJKSQ-QGZVFWFLSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1ncsc1C[N@H+]1CCC[C@@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277922868 1098799995 /nfs/dbraw/zinc/79/99/95/1098799995.db2.gz OFGAKYINGFJKSQ-QGZVFWFLSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1ncsc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C3CC3)C2)C1 ZINC001277922868 1098799999 /nfs/dbraw/zinc/79/99/99/1098799999.db2.gz OFGAKYINGFJKSQ-QGZVFWFLSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1ncsc1C[NH+]1CCC[C@@]2(CCC[N@H+](C3CC3)C2)C1 ZINC001277922868 1098800008 /nfs/dbraw/zinc/80/00/08/1098800008.db2.gz OFGAKYINGFJKSQ-QGZVFWFLSA-N 2 2 305.491 3.292 20 0 DGADLP c1cncc(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235115861 1098814364 /nfs/dbraw/zinc/81/43/64/1098814364.db2.gz KSFIMJBAWFORMF-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235115861 1098814373 /nfs/dbraw/zinc/81/43/73/1098814373.db2.gz KSFIMJBAWFORMF-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)s1 ZINC001235115400 1098815410 /nfs/dbraw/zinc/81/54/10/1098815410.db2.gz RDANSKDVRLRNRC-QGZVFWFLSA-N 2 2 308.491 3.045 20 0 DGADLP CCCCc1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)s1 ZINC001235115400 1098815419 /nfs/dbraw/zinc/81/54/19/1098815419.db2.gz RDANSKDVRLRNRC-QGZVFWFLSA-N 2 2 308.491 3.045 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001178448987 1098820208 /nfs/dbraw/zinc/82/02/08/1098820208.db2.gz HDOHJDDZTKHOOC-UHFFFAOYSA-N 2 2 308.441 3.436 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235120825 1098821116 /nfs/dbraw/zinc/82/11/16/1098821116.db2.gz OCYKNEPLGUCEJH-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235120825 1098821126 /nfs/dbraw/zinc/82/11/26/1098821126.db2.gz OCYKNEPLGUCEJH-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235128555 1098825424 /nfs/dbraw/zinc/82/54/24/1098825424.db2.gz GYJRXOKNCNQUHO-FQEVSTJZSA-N 2 2 314.473 3.299 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235128555 1098825434 /nfs/dbraw/zinc/82/54/34/1098825434.db2.gz GYJRXOKNCNQUHO-FQEVSTJZSA-N 2 2 314.473 3.299 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235168713 1098850797 /nfs/dbraw/zinc/85/07/97/1098850797.db2.gz SMBWDKFMOVJEHT-HXUWFJFHSA-N 2 2 324.472 3.493 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235168713 1098850807 /nfs/dbraw/zinc/85/08/07/1098850807.db2.gz SMBWDKFMOVJEHT-HXUWFJFHSA-N 2 2 324.472 3.493 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170289 1098852957 /nfs/dbraw/zinc/85/29/57/1098852957.db2.gz DOSPMNFNXXRAPK-GOSISDBHSA-N 2 2 324.415 3.439 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170289 1098852966 /nfs/dbraw/zinc/85/29/66/1098852966.db2.gz DOSPMNFNXXRAPK-GOSISDBHSA-N 2 2 324.415 3.439 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169558 1098853317 /nfs/dbraw/zinc/85/33/17/1098853317.db2.gz BRKUHWOPJMUTPE-IBGZPJMESA-N 2 2 310.445 3.185 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169558 1098853327 /nfs/dbraw/zinc/85/33/27/1098853327.db2.gz BRKUHWOPJMUTPE-IBGZPJMESA-N 2 2 310.445 3.185 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235173921 1098855404 /nfs/dbraw/zinc/85/54/04/1098855404.db2.gz RTBQMYADARSSRV-KRWDZBQOSA-N 2 2 310.388 3.396 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235173921 1098855409 /nfs/dbraw/zinc/85/54/09/1098855409.db2.gz RTBQMYADARSSRV-KRWDZBQOSA-N 2 2 310.388 3.396 20 0 DGADLP Fc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001235177954 1098859124 /nfs/dbraw/zinc/85/91/24/1098859124.db2.gz SVIOQJDQCHUATM-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001235177954 1098859135 /nfs/dbraw/zinc/85/91/35/1098859135.db2.gz SVIOQJDQCHUATM-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2n1 ZINC001235179572 1098861344 /nfs/dbraw/zinc/86/13/44/1098861344.db2.gz SCPFESHLVZQDIM-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2n1 ZINC001235179572 1098861350 /nfs/dbraw/zinc/86/13/50/1098861350.db2.gz SCPFESHLVZQDIM-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)c1C ZINC001235184843 1098863569 /nfs/dbraw/zinc/86/35/69/1098863569.db2.gz PIIRRXMHAVAXIC-MOPGFXCFSA-N 2 2 321.468 3.407 20 0 DGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)c1C ZINC001235184843 1098863572 /nfs/dbraw/zinc/86/35/72/1098863572.db2.gz PIIRRXMHAVAXIC-MOPGFXCFSA-N 2 2 321.468 3.407 20 0 DGADLP COc1cccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1Cl ZINC001235192234 1098869275 /nfs/dbraw/zinc/86/92/75/1098869275.db2.gz ZFLRMKYMZIGXAT-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1Cl ZINC001235192234 1098869279 /nfs/dbraw/zinc/86/92/79/1098869279.db2.gz ZFLRMKYMZIGXAT-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)c(F)c1 ZINC001235261184 1098933491 /nfs/dbraw/zinc/93/34/91/1098933491.db2.gz PEVIUKPUSOKEDB-KXBFYZLASA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)c(F)c1 ZINC001235261184 1098933498 /nfs/dbraw/zinc/93/34/98/1098933498.db2.gz PEVIUKPUSOKEDB-KXBFYZLASA-N 2 2 314.379 3.426 20 0 DGADLP CCCC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178827388 1098945723 /nfs/dbraw/zinc/94/57/23/1098945723.db2.gz HXNYJEXXGLVYDC-UHFFFAOYSA-N 2 2 316.449 3.243 20 0 DGADLP C[N@H+](Cc1c[nH]c2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC001235347503 1098971378 /nfs/dbraw/zinc/97/13/78/1098971378.db2.gz PFCWZLHMSZERCW-LBPRGKRZSA-N 2 2 322.250 3.114 20 0 DGADLP C[N@@H+](Cc1c[nH]c2c1cccc2Br)[C@H]1CCC[NH2+]C1 ZINC001235347503 1098971387 /nfs/dbraw/zinc/97/13/87/1098971387.db2.gz PFCWZLHMSZERCW-LBPRGKRZSA-N 2 2 322.250 3.114 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+](C)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001235350874 1098973474 /nfs/dbraw/zinc/97/34/74/1098973474.db2.gz VGVGLWNJYJIKNX-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+](C)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001235350874 1098973484 /nfs/dbraw/zinc/97/34/84/1098973484.db2.gz VGVGLWNJYJIKNX-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404734 1099002095 /nfs/dbraw/zinc/00/20/95/1099002095.db2.gz NZWKPSFMVBXNPP-RDJZCZTQSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404734 1099002109 /nfs/dbraw/zinc/00/21/09/1099002109.db2.gz NZWKPSFMVBXNPP-RDJZCZTQSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409381 1099007502 /nfs/dbraw/zinc/00/75/02/1099007502.db2.gz WLZAHDQGXREGPK-SJORKVTESA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409381 1099007514 /nfs/dbraw/zinc/00/75/14/1099007514.db2.gz WLZAHDQGXREGPK-SJORKVTESA-N 2 2 321.827 3.345 20 0 DGADLP CCC[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001179084673 1099012470 /nfs/dbraw/zinc/01/24/70/1099012470.db2.gz HRZSOJHLOCZPNB-UHFFFAOYSA-N 2 2 305.466 3.297 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001235427925 1099021333 /nfs/dbraw/zinc/02/13/33/1099021333.db2.gz GMICTWRYSXSHNR-UHFFFAOYSA-N 2 2 314.433 3.211 20 0 DGADLP COc1ccccc1CC1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC001235443362 1099037876 /nfs/dbraw/zinc/03/78/76/1099037876.db2.gz NVVJNKLBDNUICP-SFHVURJKSA-N 2 2 302.462 3.092 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC001179304861 1099057851 /nfs/dbraw/zinc/05/78/51/1099057851.db2.gz VTRGAVRVEOWLCY-UHFFFAOYSA-N 2 2 318.424 3.499 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277950245 1099069241 /nfs/dbraw/zinc/06/92/41/1099069241.db2.gz WHTFHPLGXMHLMH-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277950245 1099069254 /nfs/dbraw/zinc/06/92/54/1099069254.db2.gz WHTFHPLGXMHLMH-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277950245 1099069267 /nfs/dbraw/zinc/06/92/67/1099069267.db2.gz WHTFHPLGXMHLMH-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277950245 1099069279 /nfs/dbraw/zinc/06/92/79/1099069279.db2.gz WHTFHPLGXMHLMH-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@@H+](C[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529876 1099077513 /nfs/dbraw/zinc/07/75/13/1099077513.db2.gz CLHJYUVVCMHNOA-SLFFLAALSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](C[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529876 1099077523 /nfs/dbraw/zinc/07/75/23/1099077523.db2.gz CLHJYUVVCMHNOA-SLFFLAALSA-N 2 2 314.473 3.167 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620092 1099099513 /nfs/dbraw/zinc/09/95/13/1099099513.db2.gz BVEYXJKETANGII-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620092 1099099525 /nfs/dbraw/zinc/09/95/25/1099099525.db2.gz BVEYXJKETANGII-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620092 1099099537 /nfs/dbraw/zinc/09/95/37/1099099537.db2.gz BVEYXJKETANGII-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620092 1099099551 /nfs/dbraw/zinc/09/95/51/1099099551.db2.gz BVEYXJKETANGII-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH2+]CC[NH+]1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 ZINC001235631257 1099103118 /nfs/dbraw/zinc/10/31/18/1099103118.db2.gz JJJYNTDALFJFPW-UHFFFAOYSA-N 2 2 321.468 3.248 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(COc2ccccc2)CC1 ZINC001235674850 1099117545 /nfs/dbraw/zinc/11/75/45/1099117545.db2.gz QPTQUYRQIMHQPG-HXUWFJFHSA-N 2 2 324.468 3.347 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001235674514 1099118826 /nfs/dbraw/zinc/11/88/26/1099118826.db2.gz GNSAXZABTAWECG-SNVBAGLBSA-N 2 2 322.758 3.409 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001235674514 1099118831 /nfs/dbraw/zinc/11/88/31/1099118831.db2.gz GNSAXZABTAWECG-SNVBAGLBSA-N 2 2 322.758 3.409 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686768 1099129204 /nfs/dbraw/zinc/12/92/04/1099129204.db2.gz BWBMJLJHIPWJKW-HIFRSBDPSA-N 2 2 316.367 3.286 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686768 1099129207 /nfs/dbraw/zinc/12/92/07/1099129207.db2.gz BWBMJLJHIPWJKW-HIFRSBDPSA-N 2 2 316.367 3.286 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])s2)cc1 ZINC001235725025 1099147499 /nfs/dbraw/zinc/14/74/99/1099147499.db2.gz NGQTXYZAONWRHB-AWEZNQCLSA-N 2 2 302.443 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])s2)cc1 ZINC001235725025 1099147506 /nfs/dbraw/zinc/14/75/06/1099147506.db2.gz NGQTXYZAONWRHB-AWEZNQCLSA-N 2 2 302.443 3.347 20 0 DGADLP CC[NH2+]C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001235724760 1099147708 /nfs/dbraw/zinc/14/77/08/1099147708.db2.gz HNRAVJIAYFJLMC-UHFFFAOYSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(F)c1OC(C)C)C1CC[NH2+]CC1 ZINC001235765277 1099170583 /nfs/dbraw/zinc/17/05/83/1099170583.db2.gz WROPCQQXSKIHCF-UHFFFAOYSA-N 2 2 312.404 3.326 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(F)c1OC(C)C)C1CC[NH2+]CC1 ZINC001235765277 1099170588 /nfs/dbraw/zinc/17/05/88/1099170588.db2.gz WROPCQQXSKIHCF-UHFFFAOYSA-N 2 2 312.404 3.326 20 0 DGADLP COCCC[N@H+](Cc1c(C)cc(F)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235809005 1099189829 /nfs/dbraw/zinc/18/98/29/1099189829.db2.gz IFBVYQFAROQNKK-QGZVFWFLSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@@H+](Cc1c(C)cc(F)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235809005 1099189833 /nfs/dbraw/zinc/18/98/33/1099189833.db2.gz IFBVYQFAROQNKK-QGZVFWFLSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@H+](Cc1cc(C)cc(SC)c1)[C@H]1CCC[NH2+]C1 ZINC001235812359 1099191305 /nfs/dbraw/zinc/19/13/05/1099191305.db2.gz ZMRWRBODQHPXHE-KRWDZBQOSA-N 2 2 322.518 3.307 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)cc(SC)c1)[C@H]1CCC[NH2+]C1 ZINC001235812359 1099191314 /nfs/dbraw/zinc/19/13/14/1099191314.db2.gz ZMRWRBODQHPXHE-KRWDZBQOSA-N 2 2 322.518 3.307 20 0 DGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179777525 1099194825 /nfs/dbraw/zinc/19/48/25/1099194825.db2.gz ZEUWCMNOTGYHTQ-INIZCTEOSA-N 2 2 322.497 3.045 20 0 DGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179777525 1099194830 /nfs/dbraw/zinc/19/48/30/1099194830.db2.gz ZEUWCMNOTGYHTQ-INIZCTEOSA-N 2 2 322.497 3.045 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(O)cc(Cl)c3)cc2)C1 ZINC001235904694 1099247321 /nfs/dbraw/zinc/24/73/21/1099247321.db2.gz PAJKZTTXANCQLN-INIZCTEOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(O)cc(Cl)c3)cc2)C1 ZINC001235904694 1099247326 /nfs/dbraw/zinc/24/73/26/1099247326.db2.gz PAJKZTTXANCQLN-INIZCTEOSA-N 2 2 302.805 3.246 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235924930 1099261060 /nfs/dbraw/zinc/26/10/60/1099261060.db2.gz CTBUMNBWHAEIOT-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235924930 1099261067 /nfs/dbraw/zinc/26/10/67/1099261067.db2.gz CTBUMNBWHAEIOT-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001235925046 1099261655 /nfs/dbraw/zinc/26/16/55/1099261655.db2.gz HKSONHFQAXRFDF-SZGZABIGSA-N 2 2 309.251 3.236 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001235925046 1099261649 /nfs/dbraw/zinc/26/16/49/1099261649.db2.gz HKSONHFQAXRFDF-SZGZABIGSA-N 2 2 309.251 3.236 20 0 DGADLP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(F)c1C(F)(F)F ZINC001235934642 1099267732 /nfs/dbraw/zinc/26/77/32/1099267732.db2.gz CFGVFZJPECAYQL-QWRGUYRKSA-N 2 2 320.305 3.025 20 0 DGADLP Fc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(F)c1C(F)(F)F ZINC001235934642 1099267742 /nfs/dbraw/zinc/26/77/42/1099267742.db2.gz CFGVFZJPECAYQL-QWRGUYRKSA-N 2 2 320.305 3.025 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c(Cl)nc12 ZINC001235935392 1099270195 /nfs/dbraw/zinc/27/01/95/1099270195.db2.gz DOJZVLYAXXLWIW-GOEBONIOSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c(Cl)nc12 ZINC001235935392 1099270199 /nfs/dbraw/zinc/27/01/99/1099270199.db2.gz DOJZVLYAXXLWIW-GOEBONIOSA-N 2 2 315.848 3.238 20 0 DGADLP COc1cccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001235949759 1099283715 /nfs/dbraw/zinc/28/37/15/1099283715.db2.gz HLOUBOHTNFNWLO-UYAOXDASSA-N 2 2 310.441 3.402 20 0 DGADLP COc1cccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001235949759 1099283734 /nfs/dbraw/zinc/28/37/34/1099283734.db2.gz HLOUBOHTNFNWLO-UYAOXDASSA-N 2 2 310.441 3.402 20 0 DGADLP C[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC001235956460 1099287323 /nfs/dbraw/zinc/28/73/23/1099287323.db2.gz DPFYGXWVXGNSRI-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC001235956460 1099287329 /nfs/dbraw/zinc/28/73/29/1099287329.db2.gz DPFYGXWVXGNSRI-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959291 1099291241 /nfs/dbraw/zinc/29/12/41/1099291241.db2.gz MNPYDHGBRKRCGT-FVCICTRLSA-N 2 2 308.853 3.296 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959291 1099291248 /nfs/dbraw/zinc/29/12/48/1099291248.db2.gz MNPYDHGBRKRCGT-FVCICTRLSA-N 2 2 308.853 3.296 20 0 DGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963857 1099296937 /nfs/dbraw/zinc/29/69/37/1099296937.db2.gz WTYROOADEUVEND-APWZRJJASA-N 2 2 319.493 3.355 20 0 DGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963857 1099296943 /nfs/dbraw/zinc/29/69/43/1099296943.db2.gz WTYROOADEUVEND-APWZRJJASA-N 2 2 319.493 3.355 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985701 1099311056 /nfs/dbraw/zinc/31/10/56/1099311056.db2.gz CTLSAWZEMXIIPH-PZJWPPBQSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985701 1099311069 /nfs/dbraw/zinc/31/10/69/1099311069.db2.gz CTLSAWZEMXIIPH-PZJWPPBQSA-N 2 2 322.452 3.497 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236008678 1099330482 /nfs/dbraw/zinc/33/04/82/1099330482.db2.gz IIUGIMPQVBPGIG-GOSISDBHSA-N 2 2 320.477 3.332 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236008678 1099330497 /nfs/dbraw/zinc/33/04/97/1099330497.db2.gz IIUGIMPQVBPGIG-GOSISDBHSA-N 2 2 320.477 3.332 20 0 DGADLP Fc1ccc(C[NH+](Cc2ccc(F)cc2)CC2C[NH2+]C2)cc1 ZINC001236042091 1099343535 /nfs/dbraw/zinc/34/35/35/1099343535.db2.gz LHUYEMRTFZLZCC-UHFFFAOYSA-N 2 2 302.368 3.186 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045256 1099348141 /nfs/dbraw/zinc/34/81/41/1099348141.db2.gz BLSUHJBCZABYHN-WBVHZDCISA-N 2 2 320.440 3.195 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045256 1099348152 /nfs/dbraw/zinc/34/81/52/1099348152.db2.gz BLSUHJBCZABYHN-WBVHZDCISA-N 2 2 320.440 3.195 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236068235 1099368585 /nfs/dbraw/zinc/36/85/85/1099368585.db2.gz WLOUNHYCFDXHHL-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236068235 1099368596 /nfs/dbraw/zinc/36/85/96/1099368596.db2.gz WLOUNHYCFDXHHL-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001180317604 1099369316 /nfs/dbraw/zinc/36/93/16/1099369316.db2.gz KCMRTIOGZSYMOZ-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001180317604 1099369326 /nfs/dbraw/zinc/36/93/26/1099369326.db2.gz KCMRTIOGZSYMOZ-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP CCCCC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452140 1099425619 /nfs/dbraw/zinc/42/56/19/1099425619.db2.gz NJDMTIOTLNEPOA-UHFFFAOYSA-N 2 2 322.497 3.120 20 0 DGADLP C[N@H+](Cc1cccc(-c2nccs2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207863 1099463645 /nfs/dbraw/zinc/46/36/45/1099463645.db2.gz PZIGEKYANIAGPO-KRWDZBQOSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+](Cc1cccc(-c2nccs2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207863 1099463651 /nfs/dbraw/zinc/46/36/51/1099463651.db2.gz PZIGEKYANIAGPO-KRWDZBQOSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207670 1099464684 /nfs/dbraw/zinc/46/46/84/1099464684.db2.gz RGKLSZNHQMVXQP-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207670 1099464695 /nfs/dbraw/zinc/46/46/95/1099464695.db2.gz RGKLSZNHQMVXQP-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236208353 1099464707 /nfs/dbraw/zinc/46/47/07/1099464707.db2.gz RPVLTDIYQZBMPU-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236208353 1099464715 /nfs/dbraw/zinc/46/47/15/1099464715.db2.gz RPVLTDIYQZBMPU-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC001236207674 1099465016 /nfs/dbraw/zinc/46/50/16/1099465016.db2.gz PENWBCFQCSKJEV-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1Br ZINC001236207674 1099465021 /nfs/dbraw/zinc/46/50/21/1099465021.db2.gz PENWBCFQCSKJEV-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213170 1099468299 /nfs/dbraw/zinc/46/82/99/1099468299.db2.gz AKRKAUMXRORUME-QWHCGFSZSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213170 1099468306 /nfs/dbraw/zinc/46/83/06/1099468306.db2.gz AKRKAUMXRORUME-QWHCGFSZSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214039 1099470537 /nfs/dbraw/zinc/47/05/37/1099470537.db2.gz DHHPBLSTAFLDKG-STQMWFEESA-N 2 2 302.340 3.129 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214039 1099470541 /nfs/dbraw/zinc/47/05/41/1099470541.db2.gz DHHPBLSTAFLDKG-STQMWFEESA-N 2 2 302.340 3.129 20 0 DGADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216114 1099472957 /nfs/dbraw/zinc/47/29/57/1099472957.db2.gz ZPYNKNRSYRQDMR-UONOGXRCSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216114 1099472961 /nfs/dbraw/zinc/47/29/61/1099472961.db2.gz ZPYNKNRSYRQDMR-UONOGXRCSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C1(C)CC[NH2+]CC1 ZINC001236226093 1099484302 /nfs/dbraw/zinc/48/43/02/1099484302.db2.gz HXGSNKXJRGJWCK-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP C[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C1(C)CC[NH2+]CC1 ZINC001236226093 1099484307 /nfs/dbraw/zinc/48/43/07/1099484307.db2.gz HXGSNKXJRGJWCK-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236238974 1099491234 /nfs/dbraw/zinc/49/12/34/1099491234.db2.gz HUWALZKIRRWNHY-MRXNPFEDSA-N 2 2 313.445 3.283 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236238974 1099491245 /nfs/dbraw/zinc/49/12/45/1099491245.db2.gz HUWALZKIRRWNHY-MRXNPFEDSA-N 2 2 313.445 3.283 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236241025 1099494768 /nfs/dbraw/zinc/49/47/68/1099494768.db2.gz OOMWNBKCHBQDBJ-IBGZPJMESA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236241025 1099494780 /nfs/dbraw/zinc/49/47/80/1099494780.db2.gz OOMWNBKCHBQDBJ-IBGZPJMESA-N 2 2 314.473 3.297 20 0 DGADLP COC1(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCCC1 ZINC001180786997 1099503358 /nfs/dbraw/zinc/50/33/58/1099503358.db2.gz LEFRNCHNKSINSZ-KRWDZBQOSA-N 2 2 319.493 3.414 20 0 DGADLP COC1(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCCC1 ZINC001180786997 1099503368 /nfs/dbraw/zinc/50/33/68/1099503368.db2.gz LEFRNCHNKSINSZ-KRWDZBQOSA-N 2 2 319.493 3.414 20 0 DGADLP CCC[N@@H+](Cc1cccc(Br)c1C)[C@H]1CC[NH2+]C1 ZINC001236325051 1099539401 /nfs/dbraw/zinc/53/94/01/1099539401.db2.gz XNAJOMYQFKZKBH-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@H+](Cc1cccc(Br)c1C)[C@H]1CC[NH2+]C1 ZINC001236325051 1099539388 /nfs/dbraw/zinc/53/93/88/1099539388.db2.gz XNAJOMYQFKZKBH-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236328325 1099540801 /nfs/dbraw/zinc/54/08/01/1099540801.db2.gz PDZMMELJVYHMCT-QGZVFWFLSA-N 2 2 313.420 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236328325 1099540809 /nfs/dbraw/zinc/54/08/09/1099540809.db2.gz PDZMMELJVYHMCT-QGZVFWFLSA-N 2 2 313.420 3.462 20 0 DGADLP Fc1cccc(C[N@H+](CCC2CCOCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236391022 1099569432 /nfs/dbraw/zinc/56/94/32/1099569432.db2.gz GBVYOQKXSDKLGB-LJQANCHMSA-N 2 2 320.452 3.196 20 0 DGADLP Fc1cccc(C[N@@H+](CCC2CCOCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236391022 1099569442 /nfs/dbraw/zinc/56/94/42/1099569442.db2.gz GBVYOQKXSDKLGB-LJQANCHMSA-N 2 2 320.452 3.196 20 0 DGADLP CC[N@@H+](Cc1cccc(C)c1Br)C[C@H]1CC[NH2+]C1 ZINC001236408477 1099575408 /nfs/dbraw/zinc/57/54/08/1099575408.db2.gz NAJURGJXQHITQC-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1cccc(C)c1Br)C[C@H]1CC[NH2+]C1 ZINC001236408477 1099575418 /nfs/dbraw/zinc/57/54/18/1099575418.db2.gz NAJURGJXQHITQC-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001236436410 1099612204 /nfs/dbraw/zinc/61/22/04/1099612204.db2.gz XOLVPHLWBLZWMV-FQEVSTJZSA-N 2 2 312.432 3.345 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001236436410 1099612207 /nfs/dbraw/zinc/61/22/07/1099612207.db2.gz XOLVPHLWBLZWMV-FQEVSTJZSA-N 2 2 312.432 3.345 20 0 DGADLP CC(C)(C)C[N@H+](Cc1cc(F)c(O)cc1F)C1CC[NH2+]CC1 ZINC001236457182 1099620824 /nfs/dbraw/zinc/62/08/24/1099620824.db2.gz KEZXYRMEORDKHT-UHFFFAOYSA-N 2 2 312.404 3.271 20 0 DGADLP CC(C)(C)C[N@@H+](Cc1cc(F)c(O)cc1F)C1CC[NH2+]CC1 ZINC001236457182 1099620829 /nfs/dbraw/zinc/62/08/29/1099620829.db2.gz KEZXYRMEORDKHT-UHFFFAOYSA-N 2 2 312.404 3.271 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2c[nH]nc21 ZINC001236502806 1099648636 /nfs/dbraw/zinc/64/86/36/1099648636.db2.gz HHFZHDSCVAAQGH-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2c[nH]nc21 ZINC001236502806 1099648639 /nfs/dbraw/zinc/64/86/39/1099648639.db2.gz HHFZHDSCVAAQGH-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2[nH+]cc(CN([C@H]3CC[NH2+]C3)C3CCCCC3)n2c1 ZINC001236651366 1099721484 /nfs/dbraw/zinc/72/14/84/1099721484.db2.gz HPEIYRKRHRGIPJ-KRWDZBQOSA-N 2 2 312.461 3.139 20 0 DGADLP c1cn(-c2ccc(CN([C@@H]3CC[NH2+]C3)C3CCCCC3)cc2)c[nH+]1 ZINC001236652350 1099722911 /nfs/dbraw/zinc/72/29/11/1099722911.db2.gz MMVNIWINELBDQS-HXUWFJFHSA-N 2 2 324.472 3.369 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236678492 1099738851 /nfs/dbraw/zinc/73/88/51/1099738851.db2.gz BUUAOSUAPUTAKS-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236678492 1099738859 /nfs/dbraw/zinc/73/88/59/1099738859.db2.gz BUUAOSUAPUTAKS-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236678492 1099738865 /nfs/dbraw/zinc/73/88/65/1099738865.db2.gz BUUAOSUAPUTAKS-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236678492 1099738871 /nfs/dbraw/zinc/73/88/71/1099738871.db2.gz BUUAOSUAPUTAKS-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CCC[N@@H+](Cc1sccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236835593 1099823350 /nfs/dbraw/zinc/82/33/50/1099823350.db2.gz NTARVUNIZMPVNH-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@H+](Cc1sccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236835593 1099823357 /nfs/dbraw/zinc/82/33/57/1099823357.db2.gz NTARVUNIZMPVNH-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@@H+](Cc1c(F)ccc(Cl)c1OC)C[C@@H]1CC[NH2+]C1 ZINC001236842990 1099829356 /nfs/dbraw/zinc/82/93/56/1099829356.db2.gz JDVWNBBUALHACR-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP CCC[N@H+](Cc1c(F)ccc(Cl)c1OC)C[C@@H]1CC[NH2+]C1 ZINC001236842990 1099829359 /nfs/dbraw/zinc/82/93/59/1099829359.db2.gz JDVWNBBUALHACR-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP CCC[N@@H+](Cc1ccc(Cl)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236845153 1099832497 /nfs/dbraw/zinc/83/24/97/1099832497.db2.gz ZFMGSVFITUGLEW-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1ccc(Cl)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236845153 1099832511 /nfs/dbraw/zinc/83/25/11/1099832511.db2.gz ZFMGSVFITUGLEW-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC)c2cccc(OC)c12 ZINC001236869643 1099843403 /nfs/dbraw/zinc/84/34/03/1099843403.db2.gz WUSSMRLABBPIPB-AWEZNQCLSA-N 2 2 302.418 3.026 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC)c2cccc(OC)c12 ZINC001236869643 1099843412 /nfs/dbraw/zinc/84/34/12/1099843412.db2.gz WUSSMRLABBPIPB-AWEZNQCLSA-N 2 2 302.418 3.026 20 0 DGADLP C[C@@]1(O)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901888 1099863191 /nfs/dbraw/zinc/86/31/91/1099863191.db2.gz CGOQFGHJZSYTKC-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901888 1099863199 /nfs/dbraw/zinc/86/31/99/1099863199.db2.gz CGOQFGHJZSYTKC-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP COCC[N@H+](Cc1ccc(F)c2ccoc21)C1CC[NH+](C)CC1 ZINC001236904376 1099866295 /nfs/dbraw/zinc/86/62/95/1099866295.db2.gz HIZIXXQYAMUACM-UHFFFAOYSA-N 2 2 320.408 3.115 20 0 DGADLP COCC[N@@H+](Cc1ccc(F)c2ccoc21)C1CC[NH+](C)CC1 ZINC001236904376 1099866306 /nfs/dbraw/zinc/86/63/06/1099866306.db2.gz HIZIXXQYAMUACM-UHFFFAOYSA-N 2 2 320.408 3.115 20 0 DGADLP CC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910144 1099870406 /nfs/dbraw/zinc/87/04/06/1099870406.db2.gz AMBYSCFVBZUMEX-HNNXBMFYSA-N 2 2 317.820 3.327 20 0 DGADLP CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910144 1099870415 /nfs/dbraw/zinc/87/04/15/1099870415.db2.gz AMBYSCFVBZUMEX-HNNXBMFYSA-N 2 2 317.820 3.327 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001236911935 1099871239 /nfs/dbraw/zinc/87/12/39/1099871239.db2.gz KMNUPYLXBXGHHD-NSHDSACASA-N 2 2 307.235 3.381 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001236911935 1099871248 /nfs/dbraw/zinc/87/12/48/1099871248.db2.gz KMNUPYLXBXGHHD-NSHDSACASA-N 2 2 307.235 3.381 20 0 DGADLP C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914100 1099872473 /nfs/dbraw/zinc/87/24/73/1099872473.db2.gz QEIODGRLJLNEAA-KBPBESRZSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001236913271 1099873424 /nfs/dbraw/zinc/87/34/24/1099873424.db2.gz JYEAFODGKQHNPI-UHFFFAOYSA-N 2 2 317.820 3.138 20 0 DGADLP CCC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236913260 1099874024 /nfs/dbraw/zinc/87/40/24/1099874024.db2.gz JSYJBPXUTZPYBV-UHFFFAOYSA-N 2 2 307.825 3.384 20 0 DGADLP CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916808 1099877679 /nfs/dbraw/zinc/87/76/79/1099877679.db2.gz PLXOJMFLCUJDKT-INIZCTEOSA-N 2 2 319.836 3.261 20 0 DGADLP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916808 1099877686 /nfs/dbraw/zinc/87/76/86/1099877686.db2.gz PLXOJMFLCUJDKT-INIZCTEOSA-N 2 2 319.836 3.261 20 0 DGADLP OCC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236917353 1099878200 /nfs/dbraw/zinc/87/82/00/1099878200.db2.gz SSNXYFLCOLPJGB-CQSZACIVSA-N 2 2 319.836 3.120 20 0 DGADLP OCC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236917353 1099878210 /nfs/dbraw/zinc/87/82/10/1099878210.db2.gz SSNXYFLCOLPJGB-CQSZACIVSA-N 2 2 319.836 3.120 20 0 DGADLP COCCC[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CC[NH2+]C1 ZINC001236944505 1099885444 /nfs/dbraw/zinc/88/54/44/1099885444.db2.gz BMFOBMHXFPZZMP-CQSZACIVSA-N 2 2 321.852 3.022 20 0 DGADLP COCCC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CC[NH2+]C1 ZINC001236944505 1099885453 /nfs/dbraw/zinc/88/54/53/1099885453.db2.gz BMFOBMHXFPZZMP-CQSZACIVSA-N 2 2 321.852 3.022 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cncc(-c4ccc(C)cc4)c3)C[C@H]2C1 ZINC001236996268 1099916041 /nfs/dbraw/zinc/91/60/41/1099916041.db2.gz HSEHMNVKLINYRT-NHCUHLMSSA-N 2 2 321.468 3.441 20 0 DGADLP [NH3+]CCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237041629 1099939485 /nfs/dbraw/zinc/93/94/85/1099939485.db2.gz INRVVFRXKFPUFC-CQSZACIVSA-N 2 2 300.368 3.064 20 0 DGADLP [NH3+]CCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237041629 1099939501 /nfs/dbraw/zinc/93/95/01/1099939501.db2.gz INRVVFRXKFPUFC-CQSZACIVSA-N 2 2 300.368 3.064 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237153051 1100001167 /nfs/dbraw/zinc/00/11/67/1100001167.db2.gz BWRFBTJPFFIDDQ-SFHVURJKSA-N 2 2 310.445 3.183 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237153051 1100001173 /nfs/dbraw/zinc/00/11/73/1100001173.db2.gz BWRFBTJPFFIDDQ-SFHVURJKSA-N 2 2 310.445 3.183 20 0 DGADLP Fc1cccc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c21 ZINC001237155907 1100004642 /nfs/dbraw/zinc/00/46/42/1100004642.db2.gz UULDAIWBJQJTOQ-HNNXBMFYSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cccc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c21 ZINC001237155907 1100004652 /nfs/dbraw/zinc/00/46/52/1100004652.db2.gz UULDAIWBJQJTOQ-HNNXBMFYSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cccc2c(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccnc12 ZINC001237155730 1100005650 /nfs/dbraw/zinc/00/56/50/1100005650.db2.gz LIPGOQBQLURKHU-MRXNPFEDSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1cccc2c(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccnc12 ZINC001237155730 1100005655 /nfs/dbraw/zinc/00/56/55/1100005655.db2.gz LIPGOQBQLURKHU-MRXNPFEDSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237160261 1100009095 /nfs/dbraw/zinc/00/90/95/1100009095.db2.gz IFZDAYMDTGJLBR-KRWDZBQOSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237160261 1100009099 /nfs/dbraw/zinc/00/90/99/1100009099.db2.gz IFZDAYMDTGJLBR-KRWDZBQOSA-N 2 2 301.409 3.414 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001237190091 1100026072 /nfs/dbraw/zinc/02/60/72/1100026072.db2.gz CPPHBOIIXJLYQO-CHWSQXEVSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001237190091 1100026078 /nfs/dbraw/zinc/02/60/78/1100026078.db2.gz CPPHBOIIXJLYQO-CHWSQXEVSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001237205327 1100031827 /nfs/dbraw/zinc/03/18/27/1100031827.db2.gz SAQGWVLRXILMLM-WBMJQRKESA-N 2 2 301.821 3.324 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001237205327 1100031835 /nfs/dbraw/zinc/03/18/35/1100031835.db2.gz SAQGWVLRXILMLM-WBMJQRKESA-N 2 2 301.821 3.324 20 0 DGADLP CC(C)[N@H+](Cc1ccncc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001237301663 1100068935 /nfs/dbraw/zinc/06/89/35/1100068935.db2.gz IIDXWAIWBZZYAJ-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1ccncc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001237301663 1100068942 /nfs/dbraw/zinc/06/89/42/1100068942.db2.gz IIDXWAIWBZZYAJ-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001237372512 1100098486 /nfs/dbraw/zinc/09/84/86/1100098486.db2.gz ZDMNBVMNZRZJID-KRWDZBQOSA-N 2 2 321.380 3.390 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001237372512 1100098495 /nfs/dbraw/zinc/09/84/95/1100098495.db2.gz ZDMNBVMNZRZJID-KRWDZBQOSA-N 2 2 321.380 3.390 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1OCC ZINC001237390996 1100106621 /nfs/dbraw/zinc/10/66/21/1100106621.db2.gz JMLNJQYRYVIRTR-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1OCC ZINC001237390996 1100106629 /nfs/dbraw/zinc/10/66/29/1100106629.db2.gz JMLNJQYRYVIRTR-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237394423 1100109207 /nfs/dbraw/zinc/10/92/07/1100109207.db2.gz VKLKGEPKAJQNGS-IAGOWNOFSA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237394423 1100109212 /nfs/dbraw/zinc/10/92/12/1100109212.db2.gz VKLKGEPKAJQNGS-IAGOWNOFSA-N 2 2 318.461 3.056 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237404212 1100112210 /nfs/dbraw/zinc/11/22/10/1100112210.db2.gz NJBJVSMBDIQJSU-WBMJQRKESA-N 2 2 303.837 3.395 20 0 DGADLP Clc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237404212 1100112214 /nfs/dbraw/zinc/11/22/14/1100112214.db2.gz NJBJVSMBDIQJSU-WBMJQRKESA-N 2 2 303.837 3.395 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(F)F ZINC001237415694 1100119197 /nfs/dbraw/zinc/11/91/97/1100119197.db2.gz QTJBJHOEPGWGQI-GXTWGEPZSA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(F)F ZINC001237415694 1100119201 /nfs/dbraw/zinc/11/92/01/1100119201.db2.gz QTJBJHOEPGWGQI-GXTWGEPZSA-N 2 2 314.351 3.001 20 0 DGADLP CC[N@H+](Cc1c(Cl)[nH]c2cnccc21)C1CC[NH+](C)CC1 ZINC001237450358 1100127464 /nfs/dbraw/zinc/12/74/64/1100127464.db2.gz LKYQBSJAIUPUSU-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](Cc1c(Cl)[nH]c2cnccc21)C1CC[NH+](C)CC1 ZINC001237450358 1100127471 /nfs/dbraw/zinc/12/74/71/1100127471.db2.gz LKYQBSJAIUPUSU-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(Cl)[nH]c2cnccc21 ZINC001237464359 1100132497 /nfs/dbraw/zinc/13/24/97/1100132497.db2.gz DUAYCPBUBLRENN-UHFFFAOYSA-N 2 2 308.857 3.380 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(Cl)[nH]c2cnccc21 ZINC001237464359 1100132505 /nfs/dbraw/zinc/13/25/05/1100132505.db2.gz DUAYCPBUBLRENN-UHFFFAOYSA-N 2 2 308.857 3.380 20 0 DGADLP CCc1n[nH]cc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237657545 1100206294 /nfs/dbraw/zinc/20/62/94/1100206294.db2.gz GDZHPDSIBWQHTA-FQEVSTJZSA-N 2 2 324.472 3.070 20 0 DGADLP CCc1n[nH]cc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237657545 1100206304 /nfs/dbraw/zinc/20/63/04/1100206304.db2.gz GDZHPDSIBWQHTA-FQEVSTJZSA-N 2 2 324.472 3.070 20 0 DGADLP CCc1n[nH]cc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001237657545 1100206311 /nfs/dbraw/zinc/20/63/11/1100206311.db2.gz GDZHPDSIBWQHTA-FQEVSTJZSA-N 2 2 324.472 3.070 20 0 DGADLP CCc1n[nH]cc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001237657545 1100206319 /nfs/dbraw/zinc/20/63/19/1100206319.db2.gz GDZHPDSIBWQHTA-FQEVSTJZSA-N 2 2 324.472 3.070 20 0 DGADLP Cc1nc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1F ZINC001237823846 1100257305 /nfs/dbraw/zinc/25/73/05/1100257305.db2.gz LOBHUFFLUKPPHP-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1F ZINC001237823846 1100257312 /nfs/dbraw/zinc/25/73/12/1100257312.db2.gz LOBHUFFLUKPPHP-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP CCOC(=O)c1ccccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237890740 1100284935 /nfs/dbraw/zinc/28/49/35/1100284935.db2.gz WHJZTIMQTQTJSW-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP CCOC(=O)c1ccccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237890740 1100284938 /nfs/dbraw/zinc/28/49/38/1100284938.db2.gz WHJZTIMQTQTJSW-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP Cc1sccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001237969611 1100307638 /nfs/dbraw/zinc/30/76/38/1100307638.db2.gz PZTZTRLDMMLVAQ-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1sccc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001237969611 1100307650 /nfs/dbraw/zinc/30/76/50/1100307650.db2.gz PZTZTRLDMMLVAQ-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1sccc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001237969611 1100307660 /nfs/dbraw/zinc/30/76/60/1100307660.db2.gz PZTZTRLDMMLVAQ-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1sccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001237969611 1100307668 /nfs/dbraw/zinc/30/76/68/1100307668.db2.gz PZTZTRLDMMLVAQ-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(N2CCCCC2)n1 ZINC001238008462 1100324300 /nfs/dbraw/zinc/32/43/00/1100324300.db2.gz ZZKNEXBBBKVZHF-UHFFFAOYSA-N 2 2 318.509 3.236 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(N2CCCCC2)n1 ZINC001238008462 1100324308 /nfs/dbraw/zinc/32/43/08/1100324308.db2.gz ZZKNEXBBBKVZHF-UHFFFAOYSA-N 2 2 318.509 3.236 20 0 DGADLP CCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001278218216 1100416494 /nfs/dbraw/zinc/41/64/94/1100416494.db2.gz XVQNNTXBHPUCOX-HNAYVOBHSA-N 2 2 324.428 3.075 20 0 DGADLP CCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001278218216 1100416496 /nfs/dbraw/zinc/41/64/96/1100416496.db2.gz XVQNNTXBHPUCOX-HNAYVOBHSA-N 2 2 324.428 3.075 20 0 DGADLP Cc1cc(C[N@H+]2CCc3[nH+]ccn3CC2)cnc1-c1ccccc1 ZINC001238615340 1100484065 /nfs/dbraw/zinc/48/40/65/1100484065.db2.gz NEGCPIBPMQKYFV-UHFFFAOYSA-N 2 2 318.424 3.312 20 0 DGADLP Cn1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c2ccccc21 ZINC001239541838 1100686305 /nfs/dbraw/zinc/68/63/05/1100686305.db2.gz OORPCZYRMCAGJC-INIZCTEOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c2ccccc21 ZINC001239541838 1100686308 /nfs/dbraw/zinc/68/63/08/1100686308.db2.gz OORPCZYRMCAGJC-INIZCTEOSA-N 2 2 305.425 3.378 20 0 DGADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001239580877 1100694631 /nfs/dbraw/zinc/69/46/31/1100694631.db2.gz RFMYHTSVHUADRS-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001239580877 1100694634 /nfs/dbraw/zinc/69/46/34/1100694634.db2.gz RFMYHTSVHUADRS-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP Cn1ccc2cc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC001239942632 1100806051 /nfs/dbraw/zinc/80/60/51/1100806051.db2.gz PSXVZIKKSVAKSM-SFHVURJKSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2cc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC001239942632 1100806055 /nfs/dbraw/zinc/80/60/55/1100806055.db2.gz PSXVZIKKSVAKSM-SFHVURJKSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)C1 ZINC001240272647 1100918676 /nfs/dbraw/zinc/91/86/76/1100918676.db2.gz VZAAKRNHDMSMJU-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)C1 ZINC001240272647 1100918683 /nfs/dbraw/zinc/91/86/83/1100918683.db2.gz VZAAKRNHDMSMJU-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP CC[C@@H](C)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC001194376502 1100923524 /nfs/dbraw/zinc/92/35/24/1100923524.db2.gz GLNCFPMFIFGDSS-QGZVFWFLSA-N 2 2 312.461 3.097 20 0 DGADLP CC(C)(O)c1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240409615 1100983200 /nfs/dbraw/zinc/98/32/00/1100983200.db2.gz GOTKVLVYFKBTQJ-GOSISDBHSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240409615 1100983206 /nfs/dbraw/zinc/98/32/06/1100983206.db2.gz GOTKVLVYFKBTQJ-GOSISDBHSA-N 2 2 310.441 3.114 20 0 DGADLP Cc1nn(C)c2ccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001240462166 1101007557 /nfs/dbraw/zinc/00/75/57/1101007557.db2.gz AWMDSWXKZQVVLC-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2ccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001240462166 1101007566 /nfs/dbraw/zinc/00/75/66/1101007566.db2.gz AWMDSWXKZQVVLC-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1cc2cc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cnc2[nH]1 ZINC001240489463 1101018307 /nfs/dbraw/zinc/01/83/07/1101018307.db2.gz YPLIRSZZZRHRDI-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2cc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cnc2[nH]1 ZINC001240489463 1101018314 /nfs/dbraw/zinc/01/83/14/1101018314.db2.gz YPLIRSZZZRHRDI-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP c1cn2ccc(-c3ccc(OCC[NH+]4CCCCC4)nc3)cc2[nH+]1 ZINC001240518609 1101032674 /nfs/dbraw/zinc/03/26/74/1101032674.db2.gz RGOXMJJCQAEPHY-UHFFFAOYSA-N 2 2 322.412 3.261 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(N3CCCC3)c2)C1 ZINC001240537190 1101040308 /nfs/dbraw/zinc/04/03/08/1101040308.db2.gz OVDOGKGWMPGOEA-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(N3CCCC3)c2)C1 ZINC001240537190 1101040313 /nfs/dbraw/zinc/04/03/13/1101040313.db2.gz OVDOGKGWMPGOEA-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(-c4cc[nH]n4)c3)cc2)C1 ZINC001240564313 1101051483 /nfs/dbraw/zinc/05/14/83/1101051483.db2.gz XVXICIOWMOGPLF-LJQANCHMSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(-c4cc[nH]n4)c3)cc2)C1 ZINC001240564313 1101051492 /nfs/dbraw/zinc/05/14/92/1101051492.db2.gz XVXICIOWMOGPLF-LJQANCHMSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC001240774188 1101132756 /nfs/dbraw/zinc/13/27/56/1101132756.db2.gz BMEOYQYRKXOEJI-LJQANCHMSA-N 2 2 308.425 3.212 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC001240774188 1101132759 /nfs/dbraw/zinc/13/27/59/1101132759.db2.gz BMEOYQYRKXOEJI-LJQANCHMSA-N 2 2 308.425 3.212 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001240963775 1101199309 /nfs/dbraw/zinc/19/93/09/1101199309.db2.gz VGOAZINOFKZMJK-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001240963775 1101199313 /nfs/dbraw/zinc/19/93/13/1101199313.db2.gz VGOAZINOFKZMJK-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC001240983505 1101209383 /nfs/dbraw/zinc/20/93/83/1101209383.db2.gz YFMYRKJRWQOYOR-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC001240983505 1101209389 /nfs/dbraw/zinc/20/93/89/1101209389.db2.gz YFMYRKJRWQOYOR-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP CCOc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001241070017 1101241956 /nfs/dbraw/zinc/24/19/56/1101241956.db2.gz OSYLRJKJVIEQFN-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001241070017 1101241961 /nfs/dbraw/zinc/24/19/61/1101241961.db2.gz OSYLRJKJVIEQFN-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001241419463 1101446333 /nfs/dbraw/zinc/44/63/33/1101446333.db2.gz DYAHCCGRLZDKFC-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001241419463 1101446341 /nfs/dbraw/zinc/44/63/41/1101446341.db2.gz DYAHCCGRLZDKFC-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1[nH]nc2cc(-c3ccc(C[NH+]4CCC([NH3+])CC4)cc3)ccc12 ZINC001241641076 1101602692 /nfs/dbraw/zinc/60/26/92/1101602692.db2.gz JBWIDPQUZUVGEF-UHFFFAOYSA-N 2 2 320.440 3.461 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001241670206 1101622723 /nfs/dbraw/zinc/62/27/23/1101622723.db2.gz FZZHADGCEJUCRF-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001241670206 1101622728 /nfs/dbraw/zinc/62/27/28/1101622728.db2.gz FZZHADGCEJUCRF-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4scnc4c3)c2)C1 ZINC001241869158 1101758300 /nfs/dbraw/zinc/75/83/00/1101758300.db2.gz FQAWXNJJCDITMI-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4scnc4c3)c2)C1 ZINC001241869158 1101758313 /nfs/dbraw/zinc/75/83/13/1101758313.db2.gz FQAWXNJJCDITMI-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP COc1cccc2[nH]c(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc21 ZINC001241998642 1101846475 /nfs/dbraw/zinc/84/64/75/1101846475.db2.gz CQJGXSCVLZCUJZ-MRXNPFEDSA-N 2 2 321.424 3.377 20 0 DGADLP COc1cccc2[nH]c(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc21 ZINC001241998642 1101846490 /nfs/dbraw/zinc/84/64/90/1101846490.db2.gz CQJGXSCVLZCUJZ-MRXNPFEDSA-N 2 2 321.424 3.377 20 0 DGADLP CO[C@@H](C)c1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001242022865 1101863375 /nfs/dbraw/zinc/86/33/75/1101863375.db2.gz ACACEHCTSBMRFW-ZDUSSCGKSA-N 2 2 307.397 3.396 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3cccnc3c2)C1 ZINC001242252828 1102010484 /nfs/dbraw/zinc/01/04/84/1102010484.db2.gz KVILMKUQPSEHBH-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cccnc3c2)C1 ZINC001242252828 1102010499 /nfs/dbraw/zinc/01/04/99/1102010499.db2.gz KVILMKUQPSEHBH-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cnccc3C(F)(F)F)cc2)C1 ZINC001242279848 1102022469 /nfs/dbraw/zinc/02/24/69/1102022469.db2.gz QBAYSJVTYUUZSD-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cnccc3C(F)(F)F)cc2)C1 ZINC001242279848 1102022478 /nfs/dbraw/zinc/02/24/78/1102022478.db2.gz QBAYSJVTYUUZSD-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3cccc4c3OCC4)c2)c[nH+]1 ZINC001199179402 1102080252 /nfs/dbraw/zinc/08/02/52/1102080252.db2.gz ZGJYDEZWVPNUNR-UHFFFAOYSA-N 2 2 319.408 3.156 20 0 DGADLP Fc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1Cl ZINC001242573061 1102218827 /nfs/dbraw/zinc/21/88/27/1102218827.db2.gz HSVPHSBOACAOFD-UHFFFAOYSA-N 2 2 301.752 3.481 20 0 DGADLP CC(C)(O)c1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001242625565 1102249136 /nfs/dbraw/zinc/24/91/36/1102249136.db2.gz ILFHLMYEQSKXCX-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001242625565 1102249147 /nfs/dbraw/zinc/24/91/47/1102249147.db2.gz ILFHLMYEQSKXCX-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3-n3cccn3)cc2)C1 ZINC001242712432 1102301958 /nfs/dbraw/zinc/30/19/58/1102301958.db2.gz DBORNKZJAPJEJL-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3-n3cccn3)cc2)C1 ZINC001242712432 1102301972 /nfs/dbraw/zinc/30/19/72/1102301972.db2.gz DBORNKZJAPJEJL-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP CCOc1ccc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001242937191 1102428149 /nfs/dbraw/zinc/42/81/49/1102428149.db2.gz ZROSORHCVGVXOK-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP CCOC(=O)c1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001243040621 1102490969 /nfs/dbraw/zinc/49/09/69/1102490969.db2.gz GGBHPXKXANDLGV-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001243040621 1102490975 /nfs/dbraw/zinc/49/09/75/1102490975.db2.gz GGBHPXKXANDLGV-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccsc1Br ZINC001205912756 1102497132 /nfs/dbraw/zinc/49/71/32/1102497132.db2.gz CANXUOHMNWBVTC-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccsc1Br ZINC001205912756 1102497140 /nfs/dbraw/zinc/49/71/40/1102497140.db2.gz CANXUOHMNWBVTC-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP COc1c(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001243225839 1102602893 /nfs/dbraw/zinc/60/28/93/1102602893.db2.gz RSRLXAWZMVMQTR-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001243225839 1102602897 /nfs/dbraw/zinc/60/28/97/1102602897.db2.gz RSRLXAWZMVMQTR-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP Nc1[nH+]cccc1-c1ccc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc2c1 ZINC001243474036 1102743870 /nfs/dbraw/zinc/74/38/70/1102743870.db2.gz RRAPMLUUHRFJGD-OZVIIMIRSA-N 2 2 305.385 3.020 20 0 DGADLP CC(C)(C)CC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001202073172 1102835671 /nfs/dbraw/zinc/83/56/71/1102835671.db2.gz JVBFUXLDMWJWJR-UHFFFAOYSA-N 2 2 317.477 3.189 20 0 DGADLP CSc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)n1 ZINC001243594080 1102836389 /nfs/dbraw/zinc/83/63/89/1102836389.db2.gz SIVOPCFMCFDVSE-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)n1 ZINC001243594080 1102836401 /nfs/dbraw/zinc/83/64/01/1102836401.db2.gz SIVOPCFMCFDVSE-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP c1ccc(C[N@@H+]2CCc3c(ccnc3C3=C[NH2+]CCC3)C2)cc1 ZINC001243948676 1103076923 /nfs/dbraw/zinc/07/69/23/1103076923.db2.gz CSGHYLADCQOQDU-UHFFFAOYSA-N 2 2 305.425 3.364 20 0 DGADLP c1ccc(C[N@H+]2CCc3c(ccnc3C3=C[NH2+]CCC3)C2)cc1 ZINC001243948676 1103076938 /nfs/dbraw/zinc/07/69/38/1103076938.db2.gz CSGHYLADCQOQDU-UHFFFAOYSA-N 2 2 305.425 3.364 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(-c3ncc[nH]3)cc2)C1 ZINC001243979966 1103104355 /nfs/dbraw/zinc/10/43/55/1103104355.db2.gz VELJFAKFDYYNLF-SFHVURJKSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(-c3ncc[nH]3)cc2)C1 ZINC001243979966 1103104361 /nfs/dbraw/zinc/10/43/61/1103104361.db2.gz VELJFAKFDYYNLF-SFHVURJKSA-N 2 2 318.424 3.277 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001244143945 1103233680 /nfs/dbraw/zinc/23/36/80/1103233680.db2.gz IPTZUXZLQCLXCQ-GOSISDBHSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001244143945 1103233694 /nfs/dbraw/zinc/23/36/94/1103233694.db2.gz IPTZUXZLQCLXCQ-GOSISDBHSA-N 2 2 307.441 3.467 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CCC(C)C ZINC001326307010 1103265769 /nfs/dbraw/zinc/26/57/69/1103265769.db2.gz YFLRQAIVBXQNLI-UHFFFAOYSA-N 2 2 305.466 3.295 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(Cl)c3CO)c2)C1 ZINC001244577411 1103534410 /nfs/dbraw/zinc/53/44/10/1103534410.db2.gz WCYSJMOJXPRAGC-OAHLLOKOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(Cl)c3CO)c2)C1 ZINC001244577411 1103534420 /nfs/dbraw/zinc/53/44/20/1103534420.db2.gz WCYSJMOJXPRAGC-OAHLLOKOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001206616070 1103576217 /nfs/dbraw/zinc/57/62/17/1103576217.db2.gz NRBBVGBNHVDZEW-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001206616070 1103576231 /nfs/dbraw/zinc/57/62/31/1103576231.db2.gz NRBBVGBNHVDZEW-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP CN(C)c1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244799919 1103694499 /nfs/dbraw/zinc/69/44/99/1103694499.db2.gz YJTNBSMIPVZRAK-GOSISDBHSA-N 2 2 313.420 3.092 20 0 DGADLP CN(C)c1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244799919 1103694506 /nfs/dbraw/zinc/69/45/06/1103694506.db2.gz YJTNBSMIPVZRAK-GOSISDBHSA-N 2 2 313.420 3.092 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001327839623 1103738533 /nfs/dbraw/zinc/73/85/33/1103738533.db2.gz JIVGFYDBHDOJPH-KSSFIOAISA-N 2 2 301.409 3.206 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001327839621 1103738925 /nfs/dbraw/zinc/73/89/25/1103738925.db2.gz JIVGFYDBHDOJPH-KBXCAEBGSA-N 2 2 301.409 3.206 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(Cl)ccc3O)cc2)C1 ZINC001245054171 1103829512 /nfs/dbraw/zinc/82/95/12/1103829512.db2.gz BQHYTVNHBGJJII-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(Cl)ccc3O)cc2)C1 ZINC001245054171 1103829526 /nfs/dbraw/zinc/82/95/26/1103829526.db2.gz BQHYTVNHBGJJII-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP CCn1ncc2cc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC001245237706 1103927259 /nfs/dbraw/zinc/92/72/59/1103927259.db2.gz YGTBEKMPUXRVKG-SFHVURJKSA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC001245237706 1103927271 /nfs/dbraw/zinc/92/72/71/1103927271.db2.gz YGTBEKMPUXRVKG-SFHVURJKSA-N 2 2 320.440 3.256 20 0 DGADLP CC(C)n1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137079652 1103961061 /nfs/dbraw/zinc/96/10/61/1103961061.db2.gz YFJOZHDPYZAVHM-WOJBJXKFSA-N 2 2 324.472 3.028 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354481 1104002054 /nfs/dbraw/zinc/00/20/54/1104002054.db2.gz HLTJLQZVZPBWJK-RTWAWAEBSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354481 1104002063 /nfs/dbraw/zinc/00/20/63/1104002063.db2.gz HLTJLQZVZPBWJK-RTWAWAEBSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001245356791 1104003531 /nfs/dbraw/zinc/00/35/31/1104003531.db2.gz OTHJIJGBJKOCKP-PZJWPPBQSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001245356791 1104003540 /nfs/dbraw/zinc/00/35/40/1104003540.db2.gz OTHJIJGBJKOCKP-PZJWPPBQSA-N 3 2 321.468 3.311 20 0 DGADLP Nc1ccc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc2c1 ZINC001245364867 1104009439 /nfs/dbraw/zinc/00/94/39/1104009439.db2.gz JUXWFXUVBRVWSY-UHFFFAOYSA-N 2 2 314.392 3.424 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001328743828 1104050196 /nfs/dbraw/zinc/05/01/96/1104050196.db2.gz CGMUXYYMIJCICW-INIZCTEOSA-N 2 2 313.449 3.073 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001328743828 1104050208 /nfs/dbraw/zinc/05/02/08/1104050208.db2.gz CGMUXYYMIJCICW-INIZCTEOSA-N 2 2 313.449 3.073 20 0 DGADLP Nc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001245509835 1104094236 /nfs/dbraw/zinc/09/42/36/1104094236.db2.gz NPEGVBKXUZLLAY-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001245509835 1104094247 /nfs/dbraw/zinc/09/42/47/1104094247.db2.gz NPEGVBKXUZLLAY-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Cc1cc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c[nH+]c1N ZINC001245541105 1104113029 /nfs/dbraw/zinc/11/30/29/1104113029.db2.gz LGCTZNRLRFMLGV-ROUUACIJSA-N 2 2 311.429 3.426 20 0 DGADLP COc1ccc2[nH]c(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc2c1 ZINC001245597800 1104144585 /nfs/dbraw/zinc/14/45/85/1104144585.db2.gz GHYZDFYCWBQAKI-QGZVFWFLSA-N 2 2 321.424 3.377 20 0 DGADLP COc1ccc2[nH]c(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc2c1 ZINC001245597800 1104144588 /nfs/dbraw/zinc/14/45/88/1104144588.db2.gz GHYZDFYCWBQAKI-QGZVFWFLSA-N 2 2 321.424 3.377 20 0 DGADLP CC(C)(C)[C@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246068665 1104364161 /nfs/dbraw/zinc/36/41/61/1104364161.db2.gz ISHHYKJFDDCFNX-QGZVFWFLSA-N 2 2 324.896 3.301 20 0 DGADLP CC(C)(C)[C@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246068665 1104364173 /nfs/dbraw/zinc/36/41/73/1104364173.db2.gz ISHHYKJFDDCFNX-QGZVFWFLSA-N 2 2 324.896 3.301 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246075646 1104368939 /nfs/dbraw/zinc/36/89/39/1104368939.db2.gz JNMOVGBOSRUWFC-LLVKDONJSA-N 2 2 315.230 3.208 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2OC)C[C@H](CC)[NH2+]1 ZINC001246078182 1104370983 /nfs/dbraw/zinc/37/09/83/1104370983.db2.gz VVWODVQUOCQSDH-QDMKHBRRSA-N 2 2 312.404 3.372 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246077443 1104372755 /nfs/dbraw/zinc/37/27/55/1104372755.db2.gz SERZKUJUVRPUHK-NWDGAFQWSA-N 2 2 315.230 3.208 20 0 DGADLP CCC1CCC(C2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC001246089638 1104378641 /nfs/dbraw/zinc/37/86/41/1104378641.db2.gz RANCATADKDPEQE-PHDXLQKJSA-N 2 2 308.510 3.340 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246092040 1104380550 /nfs/dbraw/zinc/38/05/50/1104380550.db2.gz RRGRYRDYTDMMLU-DLOVCJGASA-N 2 2 320.786 3.229 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246101095 1104385875 /nfs/dbraw/zinc/38/58/75/1104385875.db2.gz YUIKCTBYNPUWLC-RDBSUJKOSA-N 2 2 314.470 3.360 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246110275 1104390885 /nfs/dbraw/zinc/39/08/85/1104390885.db2.gz HZYLFYQITVTFQC-NZSAHSFTSA-N 3 2 319.468 3.049 20 0 DGADLP CCC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]3COC[C@@H]3[NH3+])CC2)CC1 ZINC001246123475 1104396974 /nfs/dbraw/zinc/39/69/74/1104396974.db2.gz UUWMOARSQLNBBZ-BERQEIQTSA-N 2 2 308.510 3.467 20 0 DGADLP COc1ccc2cc(CC[C@H](C)[NH2+][C@]34C[C@H]3C[NH2+]C4)ccc2c1 ZINC001246132909 1104401988 /nfs/dbraw/zinc/40/19/88/1104401988.db2.gz FWLURMKEZYARSX-DCPHZVHLSA-N 2 2 310.441 3.121 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)CC2 ZINC001246144322 1104404140 /nfs/dbraw/zinc/40/41/40/1104404140.db2.gz TUFIDAFCUYILBA-AHRSYUTCSA-N 2 2 310.416 3.376 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246165546 1104412982 /nfs/dbraw/zinc/41/29/82/1104412982.db2.gz JENQKLUWSHHQCF-HUUCEWRRSA-N 2 2 300.368 3.487 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172109 1104418919 /nfs/dbraw/zinc/41/89/19/1104418919.db2.gz ZETBZXMYXREBQR-PIIMJCKOSA-N 3 2 312.461 3.271 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CCCC[NH2+]C3)c2)cc1 ZINC001246179965 1104424288 /nfs/dbraw/zinc/42/42/88/1104424288.db2.gz PSOGQNSLTKJUDG-LJQANCHMSA-N 2 2 310.441 3.497 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246183095 1104426542 /nfs/dbraw/zinc/42/65/42/1104426542.db2.gz DCTOBWCNRWOZJE-RBUKOAKNSA-N 3 2 303.494 3.191 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246183095 1104426548 /nfs/dbraw/zinc/42/65/48/1104426548.db2.gz DCTOBWCNRWOZJE-RBUKOAKNSA-N 3 2 303.494 3.191 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC[NH2+]1 ZINC001246213695 1104438768 /nfs/dbraw/zinc/43/87/68/1104438768.db2.gz ZHHOJDHDNXQDTE-OLZOCXBDSA-N 2 2 315.230 3.208 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246234820 1104450777 /nfs/dbraw/zinc/45/07/77/1104450777.db2.gz MZXUFQONTFKWDE-XHDPSFHLSA-N 2 2 302.796 3.484 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C[NH2+]1 ZINC001246272804 1104469500 /nfs/dbraw/zinc/46/95/00/1104469500.db2.gz WKCMCOAVDXJGMU-FSPWUOQZSA-N 2 2 306.425 3.024 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279455 1104471000 /nfs/dbraw/zinc/47/10/00/1104471000.db2.gz MNVUVFAOKDOMKG-CRAIPNDOSA-N 2 2 300.833 3.487 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246280393 1104472616 /nfs/dbraw/zinc/47/26/16/1104472616.db2.gz UNOFLHBSFZMIKA-XJKSGUPXSA-N 2 2 320.358 3.251 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)C[NH2+]1 ZINC001246284970 1104473878 /nfs/dbraw/zinc/47/38/78/1104473878.db2.gz DBIXIUZUKGPJCI-FSPWUOQZSA-N 2 2 306.425 3.024 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C[NH2+]1 ZINC001246316534 1104485763 /nfs/dbraw/zinc/48/57/63/1104485763.db2.gz HMYVELNQEZXEBW-ZIBATOQPSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246332593 1104496414 /nfs/dbraw/zinc/49/64/14/1104496414.db2.gz FYODGDUDNOCBBP-BHIYHBOVSA-N 3 2 317.521 3.250 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246332593 1104496417 /nfs/dbraw/zinc/49/64/17/1104496417.db2.gz FYODGDUDNOCBBP-BHIYHBOVSA-N 3 2 317.521 3.250 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336811 1104497401 /nfs/dbraw/zinc/49/74/01/1104497401.db2.gz QDBQTEITARJMPZ-FFGOWVMKSA-N 3 2 317.521 3.393 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336811 1104497402 /nfs/dbraw/zinc/49/74/02/1104497402.db2.gz QDBQTEITARJMPZ-FFGOWVMKSA-N 3 2 317.521 3.393 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246402153 1104527030 /nfs/dbraw/zinc/52/70/30/1104527030.db2.gz JWSKBWZDRCXYPV-GUDVDZBRSA-N 3 2 307.526 3.281 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246402153 1104527037 /nfs/dbraw/zinc/52/70/37/1104527037.db2.gz JWSKBWZDRCXYPV-GUDVDZBRSA-N 3 2 307.526 3.281 20 0 DGADLP COc1ccccc1C1([NH2+][C@@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001246400815 1104527277 /nfs/dbraw/zinc/52/72/77/1104527277.db2.gz AHQQLFMUDHWITJ-CQSZACIVSA-N 2 2 324.415 3.441 20 0 DGADLP CCc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001330333083 1104540249 /nfs/dbraw/zinc/54/02/49/1104540249.db2.gz DTTMIEKDFXVBPE-SFHVURJKSA-N 2 2 310.445 3.424 20 0 DGADLP CCc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001330333083 1104540261 /nfs/dbraw/zinc/54/02/61/1104540261.db2.gz DTTMIEKDFXVBPE-SFHVURJKSA-N 2 2 310.445 3.424 20 0 DGADLP Brc1ccccc1[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246548901 1104588703 /nfs/dbraw/zinc/58/87/03/1104588703.db2.gz IHSAHSZRGDOYAS-OAHLLOKOSA-N 2 2 309.251 3.338 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C[NH2+]1 ZINC001246494270 1104564529 /nfs/dbraw/zinc/56/45/29/1104564529.db2.gz CTCMAQHZCCCUCE-PSOPSSQASA-N 2 2 309.251 3.167 20 0 DGADLP CCc1ccccc1-c1nc(C[NH2+][C@H](C)CC[NH2+]C)cs1 ZINC001246501309 1104567329 /nfs/dbraw/zinc/56/73/29/1104567329.db2.gz CBYBCXDNIUKTGM-CYBMUJFWSA-N 2 2 303.475 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC001246511803 1104569937 /nfs/dbraw/zinc/56/99/37/1104569937.db2.gz CVQKZKLFTALWGU-KJEVXHAQSA-N 2 2 309.251 3.035 20 0 DGADLP CCCC1CCC([NH2+]C[C@@H]([NH3+])c2ccc(C(=O)OC)cc2)CC1 ZINC001246528847 1104580454 /nfs/dbraw/zinc/58/04/54/1104580454.db2.gz ZHSHFAWWDHYIRV-IUPXNIOVSA-N 2 2 318.461 3.422 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246535766 1104581502 /nfs/dbraw/zinc/58/15/02/1104581502.db2.gz KQRXJIIXYYAMPQ-GGPKGHCWSA-N 2 2 309.457 3.424 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246535766 1104581508 /nfs/dbraw/zinc/58/15/08/1104581508.db2.gz KQRXJIIXYYAMPQ-GGPKGHCWSA-N 2 2 309.457 3.424 20 0 DGADLP Brc1ccccc1[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246548901 1104588699 /nfs/dbraw/zinc/58/86/99/1104588699.db2.gz IHSAHSZRGDOYAS-OAHLLOKOSA-N 2 2 309.251 3.338 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)n(C)n1 ZINC001275050360 1104593992 /nfs/dbraw/zinc/59/39/92/1104593992.db2.gz CUCZBCAUCNAVAW-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)n(C)n1 ZINC001275050360 1104593995 /nfs/dbraw/zinc/59/39/95/1104593995.db2.gz CUCZBCAUCNAVAW-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)n(C)n1 ZINC001275050360 1104593998 /nfs/dbraw/zinc/59/39/98/1104593998.db2.gz CUCZBCAUCNAVAW-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)n(C)n1 ZINC001275050360 1104594003 /nfs/dbraw/zinc/59/40/03/1104594003.db2.gz CUCZBCAUCNAVAW-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CCCC[C@H]([NH3+])C1)CC2 ZINC001246558713 1104596388 /nfs/dbraw/zinc/59/63/88/1104596388.db2.gz MKNKITSNHSQNJD-STQMWFEESA-N 2 2 308.853 3.019 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCCC[C@H]([NH3+])C1)CC2 ZINC001246558713 1104596396 /nfs/dbraw/zinc/59/63/96/1104596396.db2.gz MKNKITSNHSQNJD-STQMWFEESA-N 2 2 308.853 3.019 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575176 1104601658 /nfs/dbraw/zinc/60/16/58/1104601658.db2.gz WDJZXQOIAIHIJK-FZMZJTMJSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575176 1104601663 /nfs/dbraw/zinc/60/16/63/1104601663.db2.gz WDJZXQOIAIHIJK-FZMZJTMJSA-N 2 2 313.272 3.392 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246572304 1104602256 /nfs/dbraw/zinc/60/22/56/1104602256.db2.gz WFPZFHVDGCJLTQ-MJBXVCDLSA-N 2 2 322.880 3.265 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246572304 1104602264 /nfs/dbraw/zinc/60/22/64/1104602264.db2.gz WFPZFHVDGCJLTQ-MJBXVCDLSA-N 2 2 322.880 3.265 20 0 DGADLP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066495 1104605372 /nfs/dbraw/zinc/60/53/72/1104605372.db2.gz XCCWCIHCQSPFHM-APWZRJJASA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066495 1104605378 /nfs/dbraw/zinc/60/53/78/1104605378.db2.gz XCCWCIHCQSPFHM-APWZRJJASA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066495 1104605385 /nfs/dbraw/zinc/60/53/85/1104605385.db2.gz XCCWCIHCQSPFHM-APWZRJJASA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066495 1104605390 /nfs/dbraw/zinc/60/53/90/1104605390.db2.gz XCCWCIHCQSPFHM-APWZRJJASA-N 2 2 318.509 3.063 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275077447 1104614846 /nfs/dbraw/zinc/61/48/46/1104614846.db2.gz USNPSOSHIMURHB-GBESFXJTSA-N 2 2 318.509 3.106 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275077447 1104614852 /nfs/dbraw/zinc/61/48/52/1104614852.db2.gz USNPSOSHIMURHB-GBESFXJTSA-N 2 2 318.509 3.106 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246605411 1104622772 /nfs/dbraw/zinc/62/27/72/1104622772.db2.gz BXWHLWGQPLRNEX-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246605411 1104622776 /nfs/dbraw/zinc/62/27/76/1104622776.db2.gz BXWHLWGQPLRNEX-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCC(C)C)C3)n(C)n1 ZINC001275102040 1104624562 /nfs/dbraw/zinc/62/45/62/1104624562.db2.gz HIHPPJOKWQVRBA-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCC(C)C)C3)n(C)n1 ZINC001275102040 1104624566 /nfs/dbraw/zinc/62/45/66/1104624566.db2.gz HIHPPJOKWQVRBA-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCC(C)C)C3)n(C)n1 ZINC001275102040 1104624571 /nfs/dbraw/zinc/62/45/71/1104624571.db2.gz HIHPPJOKWQVRBA-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCC(C)C)C3)n(C)n1 ZINC001275102040 1104624577 /nfs/dbraw/zinc/62/45/77/1104624577.db2.gz HIHPPJOKWQVRBA-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246612809 1104627869 /nfs/dbraw/zinc/62/78/69/1104627869.db2.gz XEZFOZPLWZBEDP-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246612809 1104627873 /nfs/dbraw/zinc/62/78/73/1104627873.db2.gz XEZFOZPLWZBEDP-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613741 1104628572 /nfs/dbraw/zinc/62/85/72/1104628572.db2.gz MDCPWOKCGSAPPW-FUHWJXTLSA-N 2 2 302.487 3.312 20 0 DGADLP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613741 1104628576 /nfs/dbraw/zinc/62/85/76/1104628576.db2.gz MDCPWOKCGSAPPW-FUHWJXTLSA-N 2 2 302.487 3.312 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630289 1104637117 /nfs/dbraw/zinc/63/71/17/1104637117.db2.gz ICJBKAYLTPELEO-UFYCRDLUSA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630289 1104637120 /nfs/dbraw/zinc/63/71/20/1104637120.db2.gz ICJBKAYLTPELEO-UFYCRDLUSA-N 3 2 313.489 3.088 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635585 1104638879 /nfs/dbraw/zinc/63/88/79/1104638879.db2.gz DDRRRSHVNZZDLT-DAXOMENPSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635585 1104638884 /nfs/dbraw/zinc/63/88/84/1104638884.db2.gz DDRRRSHVNZZDLT-DAXOMENPSA-N 2 2 323.278 3.206 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637473 1104639940 /nfs/dbraw/zinc/63/99/40/1104639940.db2.gz ZAHWKZVJVVPXEN-FUHWJXTLSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637473 1104639943 /nfs/dbraw/zinc/63/99/43/1104639943.db2.gz ZAHWKZVJVVPXEN-FUHWJXTLSA-N 2 2 320.864 3.252 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246641005 1104641509 /nfs/dbraw/zinc/64/15/09/1104641509.db2.gz UGQVYAWVDGFPPM-IVMMDQJWSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246641005 1104641512 /nfs/dbraw/zinc/64/15/12/1104641512.db2.gz UGQVYAWVDGFPPM-IVMMDQJWSA-N 2 2 312.379 3.320 20 0 DGADLP C1CCC2(CC1)CCC[C@@H]([N@@H+]1CCC[C@]3(C[NH2+]CCO3)C1)C2 ZINC001246645199 1104643973 /nfs/dbraw/zinc/64/39/73/1104643973.db2.gz CDQBOXOSBAQHHX-MJGOQNOKSA-N 2 2 306.494 3.334 20 0 DGADLP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCC[C@]3(C[NH2+]CCO3)C1)C2 ZINC001246645199 1104643979 /nfs/dbraw/zinc/64/39/79/1104643979.db2.gz CDQBOXOSBAQHHX-MJGOQNOKSA-N 2 2 306.494 3.334 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647688 1104645686 /nfs/dbraw/zinc/64/56/86/1104645686.db2.gz MLNXBIGTRXLEGV-OALUTQOASA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647688 1104645689 /nfs/dbraw/zinc/64/56/89/1104645689.db2.gz MLNXBIGTRXLEGV-OALUTQOASA-N 3 2 313.489 3.088 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246661034 1104652552 /nfs/dbraw/zinc/65/25/52/1104652552.db2.gz GCJQTESBBXQMND-BVYCBKJFSA-N 2 2 318.464 3.424 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246661034 1104652556 /nfs/dbraw/zinc/65/25/56/1104652556.db2.gz GCJQTESBBXQMND-BVYCBKJFSA-N 2 2 318.464 3.424 20 0 DGADLP Fc1cccc2c1C[C@@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246660337 1104653480 /nfs/dbraw/zinc/65/34/80/1104653480.db2.gz BJSMQHGUAZDSDW-NBHGPNQESA-N 2 2 322.427 3.254 20 0 DGADLP Fc1cccc2c1C[C@@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246660337 1104653483 /nfs/dbraw/zinc/65/34/83/1104653483.db2.gz BJSMQHGUAZDSDW-NBHGPNQESA-N 2 2 322.427 3.254 20 0 DGADLP C(C1CCCC1)[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275154804 1104655084 /nfs/dbraw/zinc/65/50/84/1104655084.db2.gz BOWOAYCUWDUGAI-IBGZPJMESA-N 2 2 306.494 3.286 20 0 DGADLP C(C1CCCC1)[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275154804 1104655089 /nfs/dbraw/zinc/65/50/89/1104655089.db2.gz BOWOAYCUWDUGAI-IBGZPJMESA-N 2 2 306.494 3.286 20 0 DGADLP C(C1CCCC1)[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275154804 1104655094 /nfs/dbraw/zinc/65/50/94/1104655094.db2.gz BOWOAYCUWDUGAI-IBGZPJMESA-N 2 2 306.494 3.286 20 0 DGADLP C(C1CCCC1)[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275154804 1104655098 /nfs/dbraw/zinc/65/50/98/1104655098.db2.gz BOWOAYCUWDUGAI-IBGZPJMESA-N 2 2 306.494 3.286 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246671770 1104655874 /nfs/dbraw/zinc/65/58/74/1104655874.db2.gz SZRAEIRCXDGXNS-CYBMUJFWSA-N 2 2 323.278 3.338 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246671770 1104655876 /nfs/dbraw/zinc/65/58/76/1104655876.db2.gz SZRAEIRCXDGXNS-CYBMUJFWSA-N 2 2 323.278 3.338 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@@H+]([C@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712425 1104665466 /nfs/dbraw/zinc/66/54/66/1104665466.db2.gz AEXVWOQZCZTFDI-UFYCRDLUSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+]([C@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712425 1104665469 /nfs/dbraw/zinc/66/54/69/1104665469.db2.gz AEXVWOQZCZTFDI-UFYCRDLUSA-N 2 2 314.473 3.167 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@]3(CCC[NH+](Cc4ccco4)C3)C2)c1 ZINC001275236462 1104685886 /nfs/dbraw/zinc/68/58/86/1104685886.db2.gz SIFJQQLZJVMLSS-IBGZPJMESA-N 2 2 313.445 3.486 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@]3(CCC[NH+](Cc4ccco4)C3)C2)c1 ZINC001275236462 1104685889 /nfs/dbraw/zinc/68/58/89/1104685889.db2.gz SIFJQQLZJVMLSS-IBGZPJMESA-N 2 2 313.445 3.486 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@H+](Cc4ccco4)C3)C2)c1 ZINC001275236462 1104685893 /nfs/dbraw/zinc/68/58/93/1104685893.db2.gz SIFJQQLZJVMLSS-IBGZPJMESA-N 2 2 313.445 3.486 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@@H+](Cc4ccco4)C3)C2)c1 ZINC001275236462 1104685899 /nfs/dbraw/zinc/68/58/99/1104685899.db2.gz SIFJQQLZJVMLSS-IBGZPJMESA-N 2 2 313.445 3.486 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246818882 1104690410 /nfs/dbraw/zinc/69/04/10/1104690410.db2.gz BYVQBEVTHFGZTA-RMHZUWNSSA-N 2 2 308.466 3.445 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246818882 1104690411 /nfs/dbraw/zinc/69/04/11/1104690411.db2.gz BYVQBEVTHFGZTA-RMHZUWNSSA-N 2 2 308.466 3.445 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)C[C@@H](C)[NH2+]1 ZINC001246843431 1104703413 /nfs/dbraw/zinc/70/34/13/1104703413.db2.gz JWJLOZFETRVCQM-HBUWYVDXSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1CC([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)C[C@@H](C)[NH2+]1 ZINC001246843431 1104703420 /nfs/dbraw/zinc/70/34/20/1104703420.db2.gz JWJLOZFETRVCQM-HBUWYVDXSA-N 2 2 322.880 3.416 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866688 1104711982 /nfs/dbraw/zinc/71/19/82/1104711982.db2.gz FAUMNRKQYWXXPA-CEXWTWQISA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866688 1104711990 /nfs/dbraw/zinc/71/19/90/1104711990.db2.gz FAUMNRKQYWXXPA-CEXWTWQISA-N 2 2 316.489 3.097 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246872927 1104716818 /nfs/dbraw/zinc/71/68/18/1104716818.db2.gz RNLMGTGJVMFZGR-GGPKGHCWSA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246872927 1104716822 /nfs/dbraw/zinc/71/68/22/1104716822.db2.gz RNLMGTGJVMFZGR-GGPKGHCWSA-N 2 2 316.489 3.239 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246940622 1104745363 /nfs/dbraw/zinc/74/53/63/1104745363.db2.gz JHVGBSBNNGVTHX-UXHICEINSA-N 3 2 317.521 3.013 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246940622 1104745365 /nfs/dbraw/zinc/74/53/65/1104745365.db2.gz JHVGBSBNNGVTHX-UXHICEINSA-N 3 2 317.521 3.013 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246944651 1104747094 /nfs/dbraw/zinc/74/70/94/1104747094.db2.gz JAIHBHPZCCYCPX-FZMZJTMJSA-N 2 2 302.846 3.193 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246944651 1104747099 /nfs/dbraw/zinc/74/70/99/1104747099.db2.gz JAIHBHPZCCYCPX-FZMZJTMJSA-N 2 2 302.846 3.193 20 0 DGADLP C[C@H]1CC([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001246947619 1104748753 /nfs/dbraw/zinc/74/87/53/1104748753.db2.gz GHNVPLDGQZLHDR-JFIYKMOQSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001246947619 1104748758 /nfs/dbraw/zinc/74/87/58/1104748758.db2.gz GHNVPLDGQZLHDR-JFIYKMOQSA-N 2 2 301.478 3.460 20 0 DGADLP CC(C)[N@H+]([C@@H]1CCC[NH2+]C1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001246953730 1104750911 /nfs/dbraw/zinc/75/09/11/1104750911.db2.gz GYADKSNDPFZKAG-HZPDHXFCSA-N 2 2 308.853 3.106 20 0 DGADLP CC(C)[N@@H+]([C@@H]1CCC[NH2+]C1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001246953730 1104750913 /nfs/dbraw/zinc/75/09/13/1104750913.db2.gz GYADKSNDPFZKAG-HZPDHXFCSA-N 2 2 308.853 3.106 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CC1 ZINC001246994364 1104768177 /nfs/dbraw/zinc/76/81/77/1104768177.db2.gz PGWRYPQPIKCKOV-IZZQQSIFSA-N 3 2 309.542 3.492 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CC1 ZINC001246994364 1104768181 /nfs/dbraw/zinc/76/81/81/1104768181.db2.gz PGWRYPQPIKCKOV-IZZQQSIFSA-N 3 2 309.542 3.492 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246993957 1104768263 /nfs/dbraw/zinc/76/82/63/1104768263.db2.gz NTHMZWYEJUWSRA-HOCLYGCPSA-N 2 2 304.434 3.014 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246993957 1104768266 /nfs/dbraw/zinc/76/82/66/1104768266.db2.gz NTHMZWYEJUWSRA-HOCLYGCPSA-N 2 2 304.434 3.014 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470944 1104769583 /nfs/dbraw/zinc/76/95/83/1104769583.db2.gz HNYGUQLHORXXRT-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470944 1104769587 /nfs/dbraw/zinc/76/95/87/1104769587.db2.gz HNYGUQLHORXXRT-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470944 1104769592 /nfs/dbraw/zinc/76/95/92/1104769592.db2.gz HNYGUQLHORXXRT-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470944 1104769598 /nfs/dbraw/zinc/76/95/98/1104769598.db2.gz HNYGUQLHORXXRT-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[C@@H](CC(F)(F)F)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246999446 1104770077 /nfs/dbraw/zinc/77/00/77/1104770077.db2.gz CCDAUPBUXWJUOC-ZDUSSCGKSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](CC(F)(F)F)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246999443 1104770465 /nfs/dbraw/zinc/77/04/65/1104770465.db2.gz CCDAUPBUXWJUOC-CYBMUJFWSA-N 2 2 312.379 3.464 20 0 DGADLP CC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606847 1104831181 /nfs/dbraw/zinc/83/11/81/1104831181.db2.gz HXBSUWNWGIPNEB-HLRDLLSLSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C\CC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606847 1104831189 /nfs/dbraw/zinc/83/11/89/1104831189.db2.gz HXBSUWNWGIPNEB-HLRDLLSLSA-N 2 2 317.477 3.413 20 0 DGADLP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887666 1104943697 /nfs/dbraw/zinc/94/36/97/1104943697.db2.gz QMXFCGIPPTVUAG-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887666 1104943700 /nfs/dbraw/zinc/94/37/00/1104943700.db2.gz QMXFCGIPPTVUAG-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP [NH3+]C1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CCCCCC1 ZINC001247635870 1104946624 /nfs/dbraw/zinc/94/66/24/1104946624.db2.gz UYFJJEPVBLKWKW-UHFFFAOYSA-N 2 2 323.400 3.431 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC001275967425 1104970807 /nfs/dbraw/zinc/97/08/07/1104970807.db2.gz PQHSKVJWONVIFZ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC001275967425 1104970808 /nfs/dbraw/zinc/97/08/08/1104970808.db2.gz PQHSKVJWONVIFZ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001275967425 1104970810 /nfs/dbraw/zinc/97/08/10/1104970810.db2.gz PQHSKVJWONVIFZ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001275967425 1104970812 /nfs/dbraw/zinc/97/08/12/1104970812.db2.gz PQHSKVJWONVIFZ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP c1cc2c(cccc2-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)o1 ZINC001247869137 1105004225 /nfs/dbraw/zinc/00/42/25/1105004225.db2.gz SZCLQCVGLJVGMB-AWEZNQCLSA-N 2 2 324.384 3.030 20 0 DGADLP CCOc1cc(O)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276217846 1105052843 /nfs/dbraw/zinc/05/28/43/1105052843.db2.gz UJWKSYSIFULAGB-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(O)cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276217846 1105052851 /nfs/dbraw/zinc/05/28/51/1105052851.db2.gz UJWKSYSIFULAGB-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(O)cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276217846 1105052858 /nfs/dbraw/zinc/05/28/58/1105052858.db2.gz UJWKSYSIFULAGB-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(O)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276217846 1105052866 /nfs/dbraw/zinc/05/28/66/1105052866.db2.gz UJWKSYSIFULAGB-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP Cc1ccc(O)c(Nc2ccc(OCCC[NH+](C)C)cc2)[nH+]1 ZINC001248403989 1105109501 /nfs/dbraw/zinc/10/95/01/1105109501.db2.gz VRRKFYLNVFGLJL-UHFFFAOYSA-N 2 2 301.390 3.170 20 0 DGADLP CC(C)[N@H+](Cc1cc(Cl)cn2ccnc12)C1CC[NH+](C)CC1 ZINC001248458618 1105115805 /nfs/dbraw/zinc/11/58/05/1105115805.db2.gz KDQUIPSTYCRVTQ-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP CC(C)[N@@H+](Cc1cc(Cl)cn2ccnc12)C1CC[NH+](C)CC1 ZINC001248458618 1105115808 /nfs/dbraw/zinc/11/58/08/1105115808.db2.gz KDQUIPSTYCRVTQ-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248818526 1105170429 /nfs/dbraw/zinc/17/04/29/1105170429.db2.gz PQRDENCMJCIKOG-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248818526 1105170433 /nfs/dbraw/zinc/17/04/33/1105170433.db2.gz PQRDENCMJCIKOG-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP CC[C@H](C)[C@H]([NH2+]C)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248930278 1105195865 /nfs/dbraw/zinc/19/58/65/1105195865.db2.gz JJRSYRIOMODEET-WFASDCNBSA-N 2 2 311.389 3.229 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001249409613 1105282267 /nfs/dbraw/zinc/28/22/67/1105282267.db2.gz DOQVYPJXXOACIK-HNNXBMFYSA-N 2 2 306.498 3.238 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001249409613 1105282270 /nfs/dbraw/zinc/28/22/70/1105282270.db2.gz DOQVYPJXXOACIK-HNNXBMFYSA-N 2 2 306.498 3.238 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccn1 ZINC001137410099 1105517646 /nfs/dbraw/zinc/51/76/46/1105517646.db2.gz UNSJJVDOLIOXPX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccn1 ZINC001137410099 1105517652 /nfs/dbraw/zinc/51/76/52/1105517652.db2.gz UNSJJVDOLIOXPX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccn1 ZINC001137410099 1105517658 /nfs/dbraw/zinc/51/76/58/1105517658.db2.gz UNSJJVDOLIOXPX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccn1 ZINC001137410099 1105517662 /nfs/dbraw/zinc/51/76/62/1105517662.db2.gz UNSJJVDOLIOXPX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP C[NH+]1CCN(c2cccc3[nH+]c(Cc4ccc(F)cc4)[nH]c32)CC1 ZINC001250554376 1105536487 /nfs/dbraw/zinc/53/64/87/1105536487.db2.gz RQJJIQKGCWWKKP-UHFFFAOYSA-N 2 2 324.403 3.045 20 0 DGADLP Cc1cccc(Cc2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)c1 ZINC001250554048 1105536854 /nfs/dbraw/zinc/53/68/54/1105536854.db2.gz IIYWXCWYSVIHBB-UHFFFAOYSA-N 2 2 320.440 3.214 20 0 DGADLP CC(C)C[C@H](C(=O)NC[C@H](C)[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001491492103 1105834235 /nfs/dbraw/zinc/83/42/35/1105834235.db2.gz VCXXFLAFUZHUFH-JKSUJKDBSA-N 2 2 322.497 3.001 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253390804 1105933995 /nfs/dbraw/zinc/93/39/95/1105933995.db2.gz BYBLIZAWEHIKDB-CVEARBPZSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253390804 1105933998 /nfs/dbraw/zinc/93/39/98/1105933998.db2.gz BYBLIZAWEHIKDB-CVEARBPZSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001253393463 1105934054 /nfs/dbraw/zinc/93/40/54/1105934054.db2.gz SWTORMYIEDNXBU-QAPCUYQASA-N 2 2 315.461 3.054 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001253393463 1105934056 /nfs/dbraw/zinc/93/40/56/1105934056.db2.gz SWTORMYIEDNXBU-QAPCUYQASA-N 2 2 315.461 3.054 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253396028 1105934798 /nfs/dbraw/zinc/93/47/98/1105934798.db2.gz RUMPBJWTXHOTOT-HZPDHXFCSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253396028 1105934801 /nfs/dbraw/zinc/93/48/01/1105934801.db2.gz RUMPBJWTXHOTOT-HZPDHXFCSA-N 2 2 310.869 3.226 20 0 DGADLP FC1(F)CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001254221354 1106038570 /nfs/dbraw/zinc/03/85/70/1106038570.db2.gz YTFCCEGMBKSGIU-HUUCEWRRSA-N 2 2 321.415 3.023 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001254505080 1106084434 /nfs/dbraw/zinc/08/44/34/1106084434.db2.gz ZINLPCYNWFGYQG-GFCCVEGCSA-N 2 2 320.330 3.298 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001254505080 1106084438 /nfs/dbraw/zinc/08/44/38/1106084438.db2.gz ZINLPCYNWFGYQG-GFCCVEGCSA-N 2 2 320.330 3.298 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001254514744 1106088138 /nfs/dbraw/zinc/08/81/38/1106088138.db2.gz ONELUYBPYQZAPR-CYBMUJFWSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001254514744 1106088143 /nfs/dbraw/zinc/08/81/43/1106088143.db2.gz ONELUYBPYQZAPR-CYBMUJFWSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[NH+](C)CC1 ZINC001254518136 1106090314 /nfs/dbraw/zinc/09/03/14/1106090314.db2.gz AWMXILVAIFTLTA-LBPRGKRZSA-N 2 2 301.356 3.017 20 0 DGADLP C[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[NH+](C)CC1 ZINC001254518136 1106090322 /nfs/dbraw/zinc/09/03/22/1106090322.db2.gz AWMXILVAIFTLTA-LBPRGKRZSA-N 2 2 301.356 3.017 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[N@H+](C)CC1 ZINC001254518136 1106090329 /nfs/dbraw/zinc/09/03/29/1106090329.db2.gz AWMXILVAIFTLTA-LBPRGKRZSA-N 2 2 301.356 3.017 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[N@@H+](C)CC1 ZINC001254518136 1106090336 /nfs/dbraw/zinc/09/03/36/1106090336.db2.gz AWMXILVAIFTLTA-LBPRGKRZSA-N 2 2 301.356 3.017 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528603 1106094517 /nfs/dbraw/zinc/09/45/17/1106094517.db2.gz HMWHXRPNLWGOPK-ZWKOTPCHSA-N 2 2 322.880 3.372 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528603 1106094522 /nfs/dbraw/zinc/09/45/22/1106094522.db2.gz HMWHXRPNLWGOPK-ZWKOTPCHSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528603 1106094527 /nfs/dbraw/zinc/09/45/27/1106094527.db2.gz HMWHXRPNLWGOPK-ZWKOTPCHSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528603 1106094532 /nfs/dbraw/zinc/09/45/32/1106094532.db2.gz HMWHXRPNLWGOPK-ZWKOTPCHSA-N 2 2 322.880 3.372 20 0 DGADLP CCCC[N@H+](C)CC[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254608306 1106112532 /nfs/dbraw/zinc/11/25/32/1106112532.db2.gz FTMFNYGIBYJIFH-UHFFFAOYSA-N 2 2 307.457 3.116 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254608306 1106112534 /nfs/dbraw/zinc/11/25/34/1106112534.db2.gz FTMFNYGIBYJIFH-UHFFFAOYSA-N 2 2 307.457 3.116 20 0 DGADLP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254842754 1106147027 /nfs/dbraw/zinc/14/70/27/1106147027.db2.gz GJYGDLADNREGBA-IRXDYDNUSA-N 2 2 324.509 3.207 20 0 DGADLP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254840150 1106147197 /nfs/dbraw/zinc/14/71/97/1106147197.db2.gz COENGEYAPVTLST-GOSISDBHSA-N 2 2 302.462 3.090 20 0 DGADLP FC(F)(F)C(CC[NH2+][C@H]1CC2CC[NH+](CC2)C1)C(F)(F)F ZINC001254853493 1106149937 /nfs/dbraw/zinc/14/99/37/1106149937.db2.gz WPLVMKHFADQSBU-JTQLQIEISA-N 2 2 318.305 3.191 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127729 1106185512 /nfs/dbraw/zinc/18/55/12/1106185512.db2.gz BYTVEWPMIVNERK-DSLXNQLJSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127729 1106185513 /nfs/dbraw/zinc/18/55/13/1106185513.db2.gz BYTVEWPMIVNERK-DSLXNQLJSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136386 1106188019 /nfs/dbraw/zinc/18/80/19/1106188019.db2.gz KFEUBZFYNUYDCX-IRCVMFFPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136386 1106188021 /nfs/dbraw/zinc/18/80/21/1106188021.db2.gz KFEUBZFYNUYDCX-IRCVMFFPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136386 1106188026 /nfs/dbraw/zinc/18/80/26/1106188026.db2.gz KFEUBZFYNUYDCX-IRCVMFFPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136386 1106188031 /nfs/dbraw/zinc/18/80/31/1106188031.db2.gz KFEUBZFYNUYDCX-IRCVMFFPSA-N 2 2 314.473 3.291 20 0 DGADLP CC1(C)COCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142045 1106188918 /nfs/dbraw/zinc/18/89/18/1106188918.db2.gz AALHFMWCTWXCBW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)COCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142045 1106188921 /nfs/dbraw/zinc/18/89/21/1106188921.db2.gz AALHFMWCTWXCBW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)COCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142045 1106188923 /nfs/dbraw/zinc/18/89/23/1106188923.db2.gz AALHFMWCTWXCBW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)COCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142045 1106188928 /nfs/dbraw/zinc/18/89/28/1106188928.db2.gz AALHFMWCTWXCBW-BWTSREIZSA-N 2 2 314.473 3.293 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147609 1106191252 /nfs/dbraw/zinc/19/12/52/1106191252.db2.gz BDWGTGNUOIWECW-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147609 1106191269 /nfs/dbraw/zinc/19/12/69/1106191269.db2.gz BDWGTGNUOIWECW-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147609 1106191272 /nfs/dbraw/zinc/19/12/72/1106191272.db2.gz BDWGTGNUOIWECW-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147609 1106191274 /nfs/dbraw/zinc/19/12/74/1106191274.db2.gz BDWGTGNUOIWECW-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP CC1(C)CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001255304208 1106218989 /nfs/dbraw/zinc/21/89/89/1106218989.db2.gz IHNGGEZUGLORMG-CALCHBBNSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001255304208 1106218992 /nfs/dbraw/zinc/21/89/92/1106218992.db2.gz IHNGGEZUGLORMG-CALCHBBNSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001255304208 1106218994 /nfs/dbraw/zinc/21/89/94/1106218994.db2.gz IHNGGEZUGLORMG-CALCHBBNSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001255304208 1106218995 /nfs/dbraw/zinc/21/89/95/1106218995.db2.gz IHNGGEZUGLORMG-CALCHBBNSA-N 2 2 313.489 3.414 20 0 DGADLP CCCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001255325996 1106222794 /nfs/dbraw/zinc/22/27/94/1106222794.db2.gz NPUHNCGLQQUKTJ-OAHLLOKOSA-N 2 2 306.498 3.462 20 0 DGADLP CCCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001255325996 1106222796 /nfs/dbraw/zinc/22/27/96/1106222796.db2.gz NPUHNCGLQQUKTJ-OAHLLOKOSA-N 2 2 306.498 3.462 20 0 DGADLP CCCC[C@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001255327167 1106223239 /nfs/dbraw/zinc/22/32/39/1106223239.db2.gz WHRDUAJYZCXPTG-DLBZAZTESA-N 2 2 317.477 3.378 20 0 DGADLP Fc1cccnc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255376971 1106235854 /nfs/dbraw/zinc/23/58/54/1106235854.db2.gz DGMWCAZIRKTJBI-KRWDZBQOSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cccnc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255376971 1106235857 /nfs/dbraw/zinc/23/58/57/1106235857.db2.gz DGMWCAZIRKTJBI-KRWDZBQOSA-N 2 2 313.420 3.365 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393020 1106241282 /nfs/dbraw/zinc/24/12/82/1106241282.db2.gz KIKGFODNBXQTAC-ZWKOTPCHSA-N 2 2 300.446 3.142 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393020 1106241286 /nfs/dbraw/zinc/24/12/86/1106241286.db2.gz KIKGFODNBXQTAC-ZWKOTPCHSA-N 2 2 300.446 3.142 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)nc1 ZINC001255394168 1106241320 /nfs/dbraw/zinc/24/13/20/1106241320.db2.gz STORXSBTNXVPBK-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001255394168 1106241325 /nfs/dbraw/zinc/24/13/25/1106241325.db2.gz STORXSBTNXVPBK-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP C[C@@H](CC(F)(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255643134 1106283294 /nfs/dbraw/zinc/28/32/94/1106283294.db2.gz LFLXOBRHSOMHEM-AVGNSLFASA-N 2 2 301.356 3.499 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H]1CCC[C@@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC001255705889 1106298666 /nfs/dbraw/zinc/29/86/66/1106298666.db2.gz MNLXMYWVJALRAR-VXGBXAGGSA-N 2 2 301.356 3.173 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC001255941365 1106345473 /nfs/dbraw/zinc/34/54/73/1106345473.db2.gz PCGQERQFAGFGGQ-LBPRGKRZSA-N 2 2 314.271 3.054 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC001255945891 1106346073 /nfs/dbraw/zinc/34/60/73/1106346073.db2.gz PBISSLZHMPCUHM-GFCCVEGCSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC2CCC2)ccn1 ZINC001255953940 1106348885 /nfs/dbraw/zinc/34/88/85/1106348885.db2.gz QTRSMUWSXUTIDI-OAHLLOKOSA-N 2 2 305.466 3.223 20 0 DGADLP CC[NH+](CC)CC[C@H](C)N1CC[NH+](Cc2ccccc2F)CC1 ZINC001255962791 1106350587 /nfs/dbraw/zinc/35/05/87/1106350587.db2.gz ZJEASSSBJNTGBH-KRWDZBQOSA-N 2 2 321.484 3.064 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001256147733 1106378269 /nfs/dbraw/zinc/37/82/69/1106378269.db2.gz FXNVUSDPROOPAU-IRXDYDNUSA-N 2 2 304.478 3.336 20 0 DGADLP Cc1[nH+]cn([C@@H](C)Cc2cccc(Br)c2)c1CC[NH3+] ZINC001256173552 1106384065 /nfs/dbraw/zinc/38/40/65/1106384065.db2.gz PXTYXPZGWSSSPF-NSHDSACASA-N 2 2 322.250 3.259 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256217127 1106392240 /nfs/dbraw/zinc/39/22/40/1106392240.db2.gz YTJWUYXHILHFRM-SFHVURJKSA-N 2 2 316.445 3.094 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256217127 1106392245 /nfs/dbraw/zinc/39/22/45/1106392245.db2.gz YTJWUYXHILHFRM-SFHVURJKSA-N 2 2 316.445 3.094 20 0 DGADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256300953 1106401902 /nfs/dbraw/zinc/40/19/02/1106401902.db2.gz ZZZPMKGDMYVZLA-HNNXBMFYSA-N 2 2 321.896 3.383 20 0 DGADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256300954 1106401906 /nfs/dbraw/zinc/40/19/06/1106401906.db2.gz ZZZPMKGDMYVZLA-OAHLLOKOSA-N 2 2 321.896 3.383 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001256366444 1106410853 /nfs/dbraw/zinc/41/08/53/1106410853.db2.gz XQMUQYKUSGARAE-RCCFBDPRSA-N 2 2 301.478 3.270 20 0 DGADLP C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256427109 1106421147 /nfs/dbraw/zinc/42/11/47/1106421147.db2.gz VAGPUAZCDWRFPV-MRXNPFEDSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256427109 1106421148 /nfs/dbraw/zinc/42/11/48/1106421148.db2.gz VAGPUAZCDWRFPV-MRXNPFEDSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523865 1106433589 /nfs/dbraw/zinc/43/35/89/1106433589.db2.gz SAIOTENUPCYGCB-LPHOPBHVSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523865 1106433590 /nfs/dbraw/zinc/43/35/90/1106433590.db2.gz SAIOTENUPCYGCB-LPHOPBHVSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256532000 1106435145 /nfs/dbraw/zinc/43/51/45/1106435145.db2.gz WMMCNOXUCCXKJY-IEBWSBKVSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256532000 1106435149 /nfs/dbraw/zinc/43/51/49/1106435149.db2.gz WMMCNOXUCCXKJY-IEBWSBKVSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256531997 1106435343 /nfs/dbraw/zinc/43/53/43/1106435343.db2.gz WMMCNOXUCCXKJY-HKUYNNGSSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256531997 1106435348 /nfs/dbraw/zinc/43/53/48/1106435348.db2.gz WMMCNOXUCCXKJY-HKUYNNGSSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC3(C2)CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256536487 1106436876 /nfs/dbraw/zinc/43/68/76/1106436876.db2.gz DZRPWJJNBOFGPT-HKUYNNGSSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256536487 1106436879 /nfs/dbraw/zinc/43/68/79/1106436879.db2.gz DZRPWJJNBOFGPT-HKUYNNGSSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256537560 1106437931 /nfs/dbraw/zinc/43/79/31/1106437931.db2.gz ODKFDRBKZZFUBP-SJLPKXTDSA-N 3 2 312.461 3.000 20 0 DGADLP C[C@@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537560 1106437933 /nfs/dbraw/zinc/43/79/33/1106437933.db2.gz ODKFDRBKZZFUBP-SJLPKXTDSA-N 3 2 312.461 3.000 20 0 DGADLP C[C@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256537561 1106438556 /nfs/dbraw/zinc/43/85/56/1106438556.db2.gz ODKFDRBKZZFUBP-WMZOPIPTSA-N 3 2 312.461 3.000 20 0 DGADLP C[C@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537561 1106438559 /nfs/dbraw/zinc/43/85/59/1106438559.db2.gz ODKFDRBKZZFUBP-WMZOPIPTSA-N 3 2 312.461 3.000 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554780 1106442489 /nfs/dbraw/zinc/44/24/89/1106442489.db2.gz QQVZFAYMYKCGSP-UHOSZYNNSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554780 1106442491 /nfs/dbraw/zinc/44/24/91/1106442491.db2.gz QQVZFAYMYKCGSP-UHOSZYNNSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554780 1106442493 /nfs/dbraw/zinc/44/24/93/1106442493.db2.gz QQVZFAYMYKCGSP-UHOSZYNNSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256554780 1106442496 /nfs/dbraw/zinc/44/24/96/1106442496.db2.gz QQVZFAYMYKCGSP-UHOSZYNNSA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556763 1106443910 /nfs/dbraw/zinc/44/39/10/1106443910.db2.gz GMVFJLXEFUZLHD-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556763 1106443912 /nfs/dbraw/zinc/44/39/12/1106443912.db2.gz GMVFJLXEFUZLHD-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556763 1106443913 /nfs/dbraw/zinc/44/39/13/1106443913.db2.gz GMVFJLXEFUZLHD-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556763 1106443915 /nfs/dbraw/zinc/44/39/15/1106443915.db2.gz GMVFJLXEFUZLHD-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOC[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559864 1106444880 /nfs/dbraw/zinc/44/48/80/1106444880.db2.gz OACAVPBMOSUUMK-NSISKUIASA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOC[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559864 1106444881 /nfs/dbraw/zinc/44/48/81/1106444881.db2.gz OACAVPBMOSUUMK-NSISKUIASA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCOC[C@@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559864 1106444882 /nfs/dbraw/zinc/44/48/82/1106444882.db2.gz OACAVPBMOSUUMK-NSISKUIASA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCOC[C@@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559864 1106444885 /nfs/dbraw/zinc/44/48/85/1106444885.db2.gz OACAVPBMOSUUMK-NSISKUIASA-N 2 2 314.473 3.150 20 0 DGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)nc1 ZINC001256566563 1106446623 /nfs/dbraw/zinc/44/66/23/1106446623.db2.gz IYWWYKVALYBWMQ-SFHVURJKSA-N 2 2 317.477 3.394 20 0 DGADLP COc1cnccc1[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001256569227 1106447389 /nfs/dbraw/zinc/44/73/89/1106447389.db2.gz WCWPESYRVBTHBK-GOSISDBHSA-N 2 2 317.477 3.394 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C3(c4cccnc4)CC3)CC2)cc1 ZINC001256600333 1106451719 /nfs/dbraw/zinc/45/17/19/1106451719.db2.gz RAIVNBKUPLWLKR-UHFFFAOYSA-N 2 2 307.441 3.325 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001256721865 1106472997 /nfs/dbraw/zinc/47/29/97/1106472997.db2.gz XOVJTYLYQCRPNM-PXNSSMCTSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH2+]CC[NH+]1CCCC1 ZINC001256823763 1106491164 /nfs/dbraw/zinc/49/11/64/1106491164.db2.gz FWYNULGQUZFEQT-ZDUSSCGKSA-N 2 2 311.267 3.066 20 0 DGADLP CCC1CCC([NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC001256876472 1106502088 /nfs/dbraw/zinc/50/20/88/1106502088.db2.gz PSMXJJGRXJGVLV-UHFFFAOYSA-N 2 2 303.450 3.181 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903744 1106506761 /nfs/dbraw/zinc/50/67/61/1106506761.db2.gz DRVLQPPXYJJFAV-ZBFHGGJFSA-N 2 2 309.498 3.004 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903744 1106506765 /nfs/dbraw/zinc/50/67/65/1106506765.db2.gz DRVLQPPXYJJFAV-ZBFHGGJFSA-N 2 2 309.498 3.004 20 0 DGADLP C[C@H]1CC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC001257081006 1106535437 /nfs/dbraw/zinc/53/54/37/1106535437.db2.gz PGADICVAYCXQLD-VGWMRTNUSA-N 2 2 303.450 3.114 20 0 DGADLP CCOC(=O)C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001257208760 1106551787 /nfs/dbraw/zinc/55/17/87/1106551787.db2.gz SNHXDRZKEFIYMO-SFHVURJKSA-N 2 2 318.461 3.143 20 0 DGADLP COc1ncccc1[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257212018 1106552359 /nfs/dbraw/zinc/55/23/59/1106552359.db2.gz MPIAZOWZIQLJDQ-QGZVFWFLSA-N 2 2 303.450 3.004 20 0 DGADLP CCC[C@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001257307353 1106565184 /nfs/dbraw/zinc/56/51/84/1106565184.db2.gz KABQDXRDPJWWPF-LBPRGKRZSA-N 2 2 301.525 3.216 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001257381003 1106577572 /nfs/dbraw/zinc/57/75/72/1106577572.db2.gz GJELCAGFKRVKIV-SJORKVTESA-N 2 2 312.498 3.208 20 0 DGADLP CCCC[C@H](CC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257418512 1106584682 /nfs/dbraw/zinc/58/46/82/1106584682.db2.gz DUYJNZGXKGXMAF-KRWDZBQOSA-N 2 2 304.482 3.263 20 0 DGADLP CCCC[C@H](CC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257418512 1106584684 /nfs/dbraw/zinc/58/46/84/1106584684.db2.gz DUYJNZGXKGXMAF-KRWDZBQOSA-N 2 2 304.482 3.263 20 0 DGADLP CCCC[C@@H](CC)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420209 1106585373 /nfs/dbraw/zinc/58/53/73/1106585373.db2.gz DZDHVYWYQKRZRP-CEXWTWQISA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420209 1106585376 /nfs/dbraw/zinc/58/53/76/1106585376.db2.gz DZDHVYWYQKRZRP-CEXWTWQISA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420209 1106585378 /nfs/dbraw/zinc/58/53/78/1106585378.db2.gz DZDHVYWYQKRZRP-CEXWTWQISA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420209 1106585382 /nfs/dbraw/zinc/58/53/82/1106585382.db2.gz DZDHVYWYQKRZRP-CEXWTWQISA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420212 1106585970 /nfs/dbraw/zinc/58/59/70/1106585970.db2.gz DZDHVYWYQKRZRP-QYZOEREBSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420212 1106585972 /nfs/dbraw/zinc/58/59/72/1106585972.db2.gz DZDHVYWYQKRZRP-QYZOEREBSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420212 1106585974 /nfs/dbraw/zinc/58/59/74/1106585974.db2.gz DZDHVYWYQKRZRP-QYZOEREBSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257420212 1106585977 /nfs/dbraw/zinc/58/59/77/1106585977.db2.gz DZDHVYWYQKRZRP-QYZOEREBSA-N 2 2 318.509 3.143 20 0 DGADLP CC(C)OC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001257871038 1106637135 /nfs/dbraw/zinc/63/71/35/1106637135.db2.gz YQYRTVHKTCURDB-UHFFFAOYSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1[nH+]cn(C2CCC(OC(C)C)CC2)c1CSCC[NH3+] ZINC001257872840 1106637921 /nfs/dbraw/zinc/63/79/21/1106637921.db2.gz HEHFZZAJCNTAFV-UHFFFAOYSA-N 2 2 311.495 3.292 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258017542 1106659612 /nfs/dbraw/zinc/65/96/12/1106659612.db2.gz LGXODFFCANRUDE-PMACEKPBSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258017542 1106659615 /nfs/dbraw/zinc/65/96/15/1106659615.db2.gz LGXODFFCANRUDE-PMACEKPBSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001258017542 1106659616 /nfs/dbraw/zinc/65/96/16/1106659616.db2.gz LGXODFFCANRUDE-PMACEKPBSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258017542 1106659619 /nfs/dbraw/zinc/65/96/19/1106659619.db2.gz LGXODFFCANRUDE-PMACEKPBSA-N 3 2 321.553 3.446 20 0 DGADLP C[C@H]1CC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@H](C)C1 ZINC001258165478 1106684592 /nfs/dbraw/zinc/68/45/92/1106684592.db2.gz MVTXTIVJZWXGCB-TVFCKZIOSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1CC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@H](C)C1 ZINC001258165478 1106684593 /nfs/dbraw/zinc/68/45/93/1106684593.db2.gz MVTXTIVJZWXGCB-TVFCKZIOSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1CC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C[C@H](C)C1 ZINC001258165478 1106684594 /nfs/dbraw/zinc/68/45/94/1106684594.db2.gz MVTXTIVJZWXGCB-TVFCKZIOSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1CC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C[C@H](C)C1 ZINC001258165478 1106684595 /nfs/dbraw/zinc/68/45/95/1106684595.db2.gz MVTXTIVJZWXGCB-TVFCKZIOSA-N 2 2 313.489 3.270 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CC1CC1 ZINC001258458799 1106756464 /nfs/dbraw/zinc/75/64/64/1106756464.db2.gz ZMSWUXXONGCORI-ZYSHUDEJSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CC1CC1 ZINC001258458799 1106756476 /nfs/dbraw/zinc/75/64/76/1106756476.db2.gz ZMSWUXXONGCORI-ZYSHUDEJSA-N 2 2 302.462 3.054 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1C1CCN(c2ccccc2)CC1 ZINC001258508769 1106786625 /nfs/dbraw/zinc/78/66/25/1106786625.db2.gz LLTBUDWTZPKFLN-OAQYLSRUSA-N 2 2 321.468 3.041 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1C1CCN(c2ccccc2)CC1 ZINC001258508769 1106786634 /nfs/dbraw/zinc/78/66/34/1106786634.db2.gz LLTBUDWTZPKFLN-OAQYLSRUSA-N 2 2 321.468 3.041 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258653755 1106883714 /nfs/dbraw/zinc/88/37/14/1106883714.db2.gz WVHJFHDOVRZXAH-OALUTQOASA-N 2 2 316.489 3.241 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258653755 1106883724 /nfs/dbraw/zinc/88/37/24/1106883724.db2.gz WVHJFHDOVRZXAH-OALUTQOASA-N 2 2 316.489 3.241 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCc1[nH+]ccn1C ZINC001258678290 1106899677 /nfs/dbraw/zinc/89/96/77/1106899677.db2.gz MHHUBRDBINWUHY-NSHDSACASA-N 2 2 312.244 3.490 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258707356 1106922654 /nfs/dbraw/zinc/92/26/54/1106922654.db2.gz GEWBRBSQFXSPHK-FQEVSTJZSA-N 3 2 319.537 3.390 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258707356 1106922659 /nfs/dbraw/zinc/92/26/59/1106922659.db2.gz GEWBRBSQFXSPHK-FQEVSTJZSA-N 3 2 319.537 3.390 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)[nH]1 ZINC001320494255 1107026290 /nfs/dbraw/zinc/02/62/90/1107026290.db2.gz OLYPRYMKQOVECJ-UHFFFAOYSA-N 2 2 310.445 3.390 20 0 DGADLP CCCCCCOC(=O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258903603 1107050263 /nfs/dbraw/zinc/05/02/63/1107050263.db2.gz VTZUJCLWUVIBFH-INIZCTEOSA-N 2 2 300.487 3.210 20 0 DGADLP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317329791 1107237050 /nfs/dbraw/zinc/23/70/50/1107237050.db2.gz GLIREZVQQNDQFV-QGZVFWFLSA-N 2 2 315.461 3.025 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC001322696899 1107739903 /nfs/dbraw/zinc/73/99/03/1107739903.db2.gz ANCXPVIJDPKZHY-GOSISDBHSA-N 2 2 324.896 3.050 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520210 1107996332 /nfs/dbraw/zinc/99/63/32/1107996332.db2.gz JTHLCPVTWOOJIT-RHSMWYFYSA-N 2 2 306.425 3.061 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520210 1107996343 /nfs/dbraw/zinc/99/63/43/1107996343.db2.gz JTHLCPVTWOOJIT-RHSMWYFYSA-N 2 2 306.425 3.061 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520210 1107996353 /nfs/dbraw/zinc/99/63/53/1107996353.db2.gz JTHLCPVTWOOJIT-RHSMWYFYSA-N 2 2 306.425 3.061 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520210 1107996358 /nfs/dbraw/zinc/99/63/58/1107996358.db2.gz JTHLCPVTWOOJIT-RHSMWYFYSA-N 2 2 306.425 3.061 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC000378909732 1108001491 /nfs/dbraw/zinc/00/14/91/1108001491.db2.gz HTXZZDZXUDFURI-GOSISDBHSA-N 2 2 302.462 3.018 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1cccc(C)c1 ZINC001318585945 1108109942 /nfs/dbraw/zinc/10/99/42/1108109942.db2.gz NZHDYPAEQXAFBH-UHFFFAOYSA-N 2 2 320.396 3.455 20 0 DGADLP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001323881788 1108112669 /nfs/dbraw/zinc/11/26/69/1108112669.db2.gz ZHGJXZQLHOUUHG-RTBURBONSA-N 2 2 319.468 3.037 20 0 DGADLP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001323881788 1108112673 /nfs/dbraw/zinc/11/26/73/1108112673.db2.gz ZHGJXZQLHOUUHG-RTBURBONSA-N 2 2 319.468 3.037 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1CCSCC1 ZINC001323922329 1108121994 /nfs/dbraw/zinc/12/19/94/1108121994.db2.gz NOBFZBGCYKNWKV-UHFFFAOYSA-N 2 2 316.430 3.048 20 0 DGADLP COc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1C ZINC001318814621 1108204581 /nfs/dbraw/zinc/20/45/81/1108204581.db2.gz JHCXYELJRAHONL-UHFFFAOYSA-N 2 2 322.368 3.145 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)cc(F)c1 ZINC001318865634 1108221124 /nfs/dbraw/zinc/22/11/24/1108221124.db2.gz LNTIYAKMXUORPT-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000384115185 1108245698 /nfs/dbraw/zinc/24/56/98/1108245698.db2.gz KQNMXDVPJMYICW-HXUWFJFHSA-N 2 2 324.468 3.238 20 0 DGADLP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001319539660 1108514544 /nfs/dbraw/zinc/51/45/44/1108514544.db2.gz HFBDHZWTLQSSAP-HOTGVXAUSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001281725567 1109400463 /nfs/dbraw/zinc/40/04/63/1109400463.db2.gz OYOSFIAQNPXZAX-ZDUSSCGKSA-N 2 2 316.449 3.097 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1 ZINC001307593037 1111317679 /nfs/dbraw/zinc/31/76/79/1111317679.db2.gz UPJTXVKECWDTRA-SFHVURJKSA-N 2 2 322.468 3.273 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1 ZINC001307593037 1111317684 /nfs/dbraw/zinc/31/76/84/1111317684.db2.gz UPJTXVKECWDTRA-SFHVURJKSA-N 2 2 322.468 3.273 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC001307593037 1111317686 /nfs/dbraw/zinc/31/76/86/1111317686.db2.gz UPJTXVKECWDTRA-SFHVURJKSA-N 2 2 322.468 3.273 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC001307593037 1111317689 /nfs/dbraw/zinc/31/76/89/1111317689.db2.gz UPJTXVKECWDTRA-SFHVURJKSA-N 2 2 322.468 3.273 20 0 DGADLP C[C@H]1c2ccccc2C[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307964417 1111361163 /nfs/dbraw/zinc/36/11/63/1111361163.db2.gz FWQMELJJYNQSAG-UWJYYQICSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@H]1c2ccccc2C[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307964417 1111361166 /nfs/dbraw/zinc/36/11/66/1111361166.db2.gz FWQMELJJYNQSAG-UWJYYQICSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@H]1c2ccccc2C[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307964417 1111361168 /nfs/dbraw/zinc/36/11/68/1111361168.db2.gz FWQMELJJYNQSAG-UWJYYQICSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@H]1c2ccccc2C[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307964417 1111361170 /nfs/dbraw/zinc/36/11/70/1111361170.db2.gz FWQMELJJYNQSAG-UWJYYQICSA-N 2 2 322.452 3.200 20 0 DGADLP C[N@@H+]1C[C@]23C[NH+](CCc4c(F)cccc4F)C[C@@]2(C1)CCCC3 ZINC001308169825 1111388876 /nfs/dbraw/zinc/38/88/76/1111388876.db2.gz FVUWMLSQSFHHLV-KDURUIRLSA-N 2 2 320.427 3.315 20 0 DGADLP C[N@H+]1C[C@]23C[NH+](CCc4c(F)cccc4F)C[C@@]2(C1)CCCC3 ZINC001308169825 1111388878 /nfs/dbraw/zinc/38/88/78/1111388878.db2.gz FVUWMLSQSFHHLV-KDURUIRLSA-N 2 2 320.427 3.315 20 0 DGADLP C[NH+]1C[C@]23C[N@H+](CCc4c(F)cccc4F)C[C@@]2(C1)CCCC3 ZINC001308169825 1111388882 /nfs/dbraw/zinc/38/88/82/1111388882.db2.gz FVUWMLSQSFHHLV-KDURUIRLSA-N 2 2 320.427 3.315 20 0 DGADLP C[NH+]1C[C@]23C[N@@H+](CCc4c(F)cccc4F)C[C@@]2(C1)CCCC3 ZINC001308169825 1111388884 /nfs/dbraw/zinc/38/88/84/1111388884.db2.gz FVUWMLSQSFHHLV-KDURUIRLSA-N 2 2 320.427 3.315 20 0 DGADLP CCCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001308189450 1111393521 /nfs/dbraw/zinc/39/35/21/1111393521.db2.gz WWQALGCGUVXUTJ-IAGOWNOFSA-N 2 2 320.477 3.064 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCCC[C@@H]1C ZINC001308202106 1111396295 /nfs/dbraw/zinc/39/62/95/1111396295.db2.gz FORCCCJOGBLZEI-GJZGRUSLSA-N 2 2 318.490 3.286 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001308222357 1111399920 /nfs/dbraw/zinc/39/99/20/1111399920.db2.gz VNGABLGRGSTZNO-UHFFFAOYSA-N 2 2 314.339 3.144 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001308219833 1111400090 /nfs/dbraw/zinc/40/00/90/1111400090.db2.gz RLERVQDUXMIVSC-IEBWSBKVSA-N 2 2 312.461 3.088 20 0 DGADLP Cc1nc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)sc1C ZINC001308306569 1111414312 /nfs/dbraw/zinc/41/43/12/1111414312.db2.gz XDZHYDARJWXOAW-UHFFFAOYSA-N 2 2 318.471 3.339 20 0 DGADLP COc1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)sn1 ZINC001308377917 1111423629 /nfs/dbraw/zinc/42/36/29/1111423629.db2.gz ONXGGCSQUJESHG-UHFFFAOYSA-N 2 2 311.495 3.286 20 0 DGADLP C[C@@H](O)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001308477822 1111432907 /nfs/dbraw/zinc/43/29/07/1111432907.db2.gz NJDVNFMYHWCPSU-DYVFJYSZSA-N 2 2 313.426 3.146 20 0 DGADLP Cc1cc(N[C@H]2CCC[N@H+](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC001308636350 1111454531 /nfs/dbraw/zinc/45/45/31/1111454531.db2.gz ZGSXYZRATRJXBR-HOTGVXAUSA-N 2 2 302.466 3.275 20 0 DGADLP Cc1cc(N[C@H]2CCC[N@@H+](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC001308636350 1111454533 /nfs/dbraw/zinc/45/45/33/1111454533.db2.gz ZGSXYZRATRJXBR-HOTGVXAUSA-N 2 2 302.466 3.275 20 0 DGADLP CO[C@H](C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)Cc1ccccc1 ZINC001308779375 1111474126 /nfs/dbraw/zinc/47/41/26/1111474126.db2.gz QWPJJDGLFZKKQR-PMACEKPBSA-N 2 2 318.505 3.344 20 0 DGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CO)c1ccccc1 ZINC001308780898 1111474266 /nfs/dbraw/zinc/47/42/66/1111474266.db2.gz SWNTWAXCQCHDHL-QGZVFWFLSA-N 2 2 313.426 3.099 20 0 DGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](CO)c1ccccc1 ZINC001308780898 1111474269 /nfs/dbraw/zinc/47/42/69/1111474269.db2.gz SWNTWAXCQCHDHL-QGZVFWFLSA-N 2 2 313.426 3.099 20 0 DGADLP COc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000076901114 185052895 /nfs/dbraw/zinc/05/28/95/185052895.db2.gz DPUWMFSBRXSMIQ-UHFFFAOYSA-N 2 2 309.413 3.304 20 0 DGADLP COc1ccc([C@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278389350 214135716 /nfs/dbraw/zinc/13/57/16/214135716.db2.gz MKDVCJWFMILTER-YJBOKZPZSA-N 2 2 320.502 3.175 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F ZINC000278481918 214182207 /nfs/dbraw/zinc/18/22/07/214182207.db2.gz KOCSLJRHPDBPPK-KGLIPLIRSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F ZINC000278481918 214182208 /nfs/dbraw/zinc/18/22/08/214182208.db2.gz KOCSLJRHPDBPPK-KGLIPLIRSA-N 2 2 312.404 3.116 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)n1-c1ccccc1 ZINC000278547038 214228559 /nfs/dbraw/zinc/22/85/59/214228559.db2.gz YJVFFCMKIDKXTK-HXUWFJFHSA-N 2 2 321.424 3.312 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000278676651 214319148 /nfs/dbraw/zinc/31/91/48/214319148.db2.gz LUABRKNOYRJOSJ-UHFFFAOYSA-N 2 2 317.820 3.482 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000309672319 231102367 /nfs/dbraw/zinc/10/23/67/231102367.db2.gz UIDHFKMWNXGNKI-BXWFABGCSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000309672319 231102369 /nfs/dbraw/zinc/10/23/69/231102369.db2.gz UIDHFKMWNXGNKI-BXWFABGCSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000309672320 231103105 /nfs/dbraw/zinc/10/31/05/231103105.db2.gz UIDHFKMWNXGNKI-FCEWJHQRSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000309672320 231103108 /nfs/dbraw/zinc/10/31/08/231103108.db2.gz UIDHFKMWNXGNKI-FCEWJHQRSA-N 2 2 302.462 3.054 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C[C@@H]3CCCSC3)C2)cc1 ZINC000310004860 231111078 /nfs/dbraw/zinc/11/10/78/231111078.db2.gz UDWAKCKYVTUJFL-ROUUACIJSA-N 2 2 304.503 3.384 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@@H]3CCCSC3)C2)cc1 ZINC000310004860 231111082 /nfs/dbraw/zinc/11/10/82/231111082.db2.gz UDWAKCKYVTUJFL-ROUUACIJSA-N 2 2 304.503 3.384 20 0 DGADLP COC1(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000320231087 231191290 /nfs/dbraw/zinc/19/12/90/231191290.db2.gz GUMNXDFCYRMTNN-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP COC1(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000320231087 231191293 /nfs/dbraw/zinc/19/12/93/231191293.db2.gz GUMNXDFCYRMTNN-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000324060578 231220348 /nfs/dbraw/zinc/22/03/48/231220348.db2.gz WKVFRPTZJQABBO-RBUKOAKNSA-N 2 2 314.404 3.021 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000324060578 231220350 /nfs/dbraw/zinc/22/03/50/231220350.db2.gz WKVFRPTZJQABBO-RBUKOAKNSA-N 2 2 314.404 3.021 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309573076 529447069 /nfs/dbraw/zinc/44/70/69/529447069.db2.gz COUQOAIPNWOGSE-GUDVDZBRSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309573076 529447070 /nfs/dbraw/zinc/44/70/70/529447070.db2.gz COUQOAIPNWOGSE-GUDVDZBRSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000092588046 282193900 /nfs/dbraw/zinc/19/39/00/282193900.db2.gz FBPCJKVLCJLNJJ-FUHWJXTLSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000092588046 282193901 /nfs/dbraw/zinc/19/39/01/282193901.db2.gz FBPCJKVLCJLNJJ-FUHWJXTLSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588046 282193902 /nfs/dbraw/zinc/19/39/02/282193902.db2.gz FBPCJKVLCJLNJJ-FUHWJXTLSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588046 282193903 /nfs/dbraw/zinc/19/39/03/282193903.db2.gz FBPCJKVLCJLNJJ-FUHWJXTLSA-N 2 2 301.478 3.476 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000423244717 529611892 /nfs/dbraw/zinc/61/18/92/529611892.db2.gz NWZHJHONJNSQBZ-SJORKVTESA-N 2 2 312.413 3.199 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(OC)ccc1OC ZINC000415073100 529611374 /nfs/dbraw/zinc/61/13/74/529611374.db2.gz ZAXXZZCEHFLDTH-SFHVURJKSA-N 2 2 314.429 3.056 20 0 DGADLP Clc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000090613763 185307121 /nfs/dbraw/zinc/30/71/21/185307121.db2.gz VWSWCMLSSBUCBF-UHFFFAOYSA-N 2 2 324.815 3.479 20 0 DGADLP Clc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000090613763 185307122 /nfs/dbraw/zinc/30/71/22/185307122.db2.gz VWSWCMLSSBUCBF-UHFFFAOYSA-N 2 2 324.815 3.479 20 0 DGADLP FC(F)(F)c1cccnc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648401 185331179 /nfs/dbraw/zinc/33/11/79/185331179.db2.gz WBSDBZSWYNRNES-UHFFFAOYSA-N 2 2 310.323 3.134 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000092659262 185331959 /nfs/dbraw/zinc/33/19/59/185331959.db2.gz MHYGTMSSGCYVGE-UHFFFAOYSA-N 2 2 315.417 3.128 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]CC2(C)COC2)[NH+](CC)CC)cc1 ZINC000292531082 529708829 /nfs/dbraw/zinc/70/88/29/529708829.db2.gz FMZBKPBRGVPRIH-GOSISDBHSA-N 2 2 304.478 3.258 20 0 DGADLP CC1(C)[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@H]2CCCO[C@@H]21 ZINC000181586285 199323121 /nfs/dbraw/zinc/32/31/21/199323121.db2.gz BIHVXBXQAWSBQW-BVGQSLNGSA-N 2 2 313.445 3.289 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442724642 529918035 /nfs/dbraw/zinc/91/80/35/529918035.db2.gz ZWWKFDDXBOQWNM-KRWDZBQOSA-N 2 2 319.452 3.357 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442724642 529918037 /nfs/dbraw/zinc/91/80/37/529918037.db2.gz ZWWKFDDXBOQWNM-KRWDZBQOSA-N 2 2 319.452 3.357 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCCNc2cccc[nH+]2)[C@H]2CCCO[C@@H]21 ZINC000181672528 199336609 /nfs/dbraw/zinc/33/66/09/199336609.db2.gz SYHXNTOOHTXFGC-OIISXLGYSA-N 2 2 303.450 3.067 20 0 DGADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1[nH+]c2ccc(F)cc2n1C ZINC000431418489 529931994 /nfs/dbraw/zinc/93/19/94/529931994.db2.gz ZBCRPHKEUSQUCW-CQSZACIVSA-N 2 2 304.413 3.023 20 0 DGADLP CN(CC[C@H]1CCCC[N@H+]1C)c1[nH+]c2ccc(F)cc2n1C ZINC000431418489 529931996 /nfs/dbraw/zinc/93/19/96/529931996.db2.gz ZBCRPHKEUSQUCW-CQSZACIVSA-N 2 2 304.413 3.023 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(CO)cc1 ZINC000305789488 529999677 /nfs/dbraw/zinc/99/96/77/529999677.db2.gz ATRNYHHYXQJUTF-UHFFFAOYSA-N 2 2 312.457 3.179 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(CO)cc1 ZINC000305789488 529999679 /nfs/dbraw/zinc/99/96/79/529999679.db2.gz ATRNYHHYXQJUTF-UHFFFAOYSA-N 2 2 312.457 3.179 20 0 DGADLP C[N@@H+](Cc1nc2ccc(F)cc2s1)C[C@H]1CCC[NH+](C)C1 ZINC000432738456 530023000 /nfs/dbraw/zinc/02/30/00/530023000.db2.gz RGSQJRAGIPSUJV-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP C[N@H+](Cc1nc2ccc(F)cc2s1)C[C@H]1CCC[NH+](C)C1 ZINC000432738456 530023001 /nfs/dbraw/zinc/02/30/01/530023001.db2.gz RGSQJRAGIPSUJV-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2s1)C[C@H]1CCC[N@H+](C)C1 ZINC000432738456 530023002 /nfs/dbraw/zinc/02/30/02/530023002.db2.gz RGSQJRAGIPSUJV-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000432738456 530023003 /nfs/dbraw/zinc/02/30/03/530023003.db2.gz RGSQJRAGIPSUJV-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036547 530065350 /nfs/dbraw/zinc/06/53/50/530065350.db2.gz RWUDMHIDIVZOLF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036547 530065351 /nfs/dbraw/zinc/06/53/51/530065351.db2.gz RWUDMHIDIVZOLF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036547 530065352 /nfs/dbraw/zinc/06/53/52/530065352.db2.gz RWUDMHIDIVZOLF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)C1 ZINC000293036547 530065353 /nfs/dbraw/zinc/06/53/53/530065353.db2.gz RWUDMHIDIVZOLF-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000430359110 530062728 /nfs/dbraw/zinc/06/27/28/530062728.db2.gz PKLYKQABDCPSCT-FQEVSTJZSA-N 2 2 324.472 3.006 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000430359110 530062729 /nfs/dbraw/zinc/06/27/29/530062729.db2.gz PKLYKQABDCPSCT-FQEVSTJZSA-N 2 2 324.472 3.006 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430359110 530062730 /nfs/dbraw/zinc/06/27/30/530062730.db2.gz PKLYKQABDCPSCT-FQEVSTJZSA-N 2 2 324.472 3.006 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430359110 530062731 /nfs/dbraw/zinc/06/27/31/530062731.db2.gz PKLYKQABDCPSCT-FQEVSTJZSA-N 2 2 324.472 3.006 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000279800372 215156438 /nfs/dbraw/zinc/15/64/38/215156438.db2.gz WBBWVDVOVAXGTM-KXBFYZLASA-N 2 2 309.413 3.243 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000431408457 282592331 /nfs/dbraw/zinc/59/23/31/282592331.db2.gz CKBCMXFMCIQJEN-HNNXBMFYSA-N 2 2 316.424 3.167 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1OC ZINC000279793916 215152552 /nfs/dbraw/zinc/15/25/52/215152552.db2.gz DAPLQSLJFQXJCB-KBPBESRZSA-N 2 2 308.466 3.126 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000279930338 215246475 /nfs/dbraw/zinc/24/64/75/215246475.db2.gz APRXQCPJFDQVMO-IBGZPJMESA-N 2 2 324.472 3.052 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(F)cn1 ZINC000287085853 219302823 /nfs/dbraw/zinc/30/28/23/219302823.db2.gz VSGLZLOAMGLUCV-LLVKDONJSA-N 2 2 309.429 3.189 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H](C)c1nc2ccccc2s1 ZINC000155693673 186103437 /nfs/dbraw/zinc/10/34/37/186103437.db2.gz YYDBUOJUNCNBRM-QWHCGFSZSA-N 2 2 300.431 3.275 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+]CCn2cc[nH+]c2)cc1OCC ZINC000155737696 186107910 /nfs/dbraw/zinc/10/79/10/186107910.db2.gz YRJARGZVSIQFNG-MRXNPFEDSA-N 2 2 317.433 3.421 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000268738352 186372757 /nfs/dbraw/zinc/37/27/57/186372757.db2.gz WTAAQMLGSKBREY-KRWDZBQOSA-N 2 2 309.457 3.439 20 0 DGADLP CCCC[C@@H](COC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268739205 186373438 /nfs/dbraw/zinc/37/34/38/186373438.db2.gz CNCGXZURCXJSGD-SFHVURJKSA-N 2 2 301.434 3.226 20 0 DGADLP CCCC[C@H](COC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268739202 186373559 /nfs/dbraw/zinc/37/35/59/186373559.db2.gz CNCGXZURCXJSGD-GOSISDBHSA-N 2 2 301.434 3.226 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749419 186377727 /nfs/dbraw/zinc/37/77/27/186377727.db2.gz UBVJJARZFAWXQI-IEBWSBKVSA-N 3 2 317.521 3.074 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749419 186377729 /nfs/dbraw/zinc/37/77/29/186377729.db2.gz UBVJJARZFAWXQI-IEBWSBKVSA-N 3 2 317.521 3.074 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000280113058 215385911 /nfs/dbraw/zinc/38/59/11/215385911.db2.gz NRSHSAGTCWERBJ-NSHDSACASA-N 2 2 324.266 3.122 20 0 DGADLP COc1ccc([C@@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)cc1OC ZINC000277179384 213348803 /nfs/dbraw/zinc/34/88/03/213348803.db2.gz VGLVEFGZZNAAIR-OAHLLOKOSA-N 2 2 315.417 3.122 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858210 191240242 /nfs/dbraw/zinc/24/02/42/191240242.db2.gz OFZGGMHJEOZVKP-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858210 191240245 /nfs/dbraw/zinc/24/02/45/191240245.db2.gz OFZGGMHJEOZVKP-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858210 191240247 /nfs/dbraw/zinc/24/02/47/191240247.db2.gz OFZGGMHJEOZVKP-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858210 191240251 /nfs/dbraw/zinc/24/02/51/191240251.db2.gz OFZGGMHJEOZVKP-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173731636 198245599 /nfs/dbraw/zinc/24/55/99/198245599.db2.gz QQFXZIYLNUHJGB-ZWKOTPCHSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173731636 198245600 /nfs/dbraw/zinc/24/56/00/198245600.db2.gz QQFXZIYLNUHJGB-ZWKOTPCHSA-N 2 2 302.462 3.100 20 0 DGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420226267 282922735 /nfs/dbraw/zinc/92/27/35/282922735.db2.gz GLIAUWPDSPHHCM-INIZCTEOSA-N 2 2 321.346 3.443 20 0 DGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420261137 282922561 /nfs/dbraw/zinc/92/25/61/282922561.db2.gz OXAURNDILOECBH-STQMWFEESA-N 2 2 321.346 3.299 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000163591272 432035878 /nfs/dbraw/zinc/03/58/78/432035878.db2.gz CAUDWQAXZIFUMV-QGZVFWFLSA-N 2 2 308.853 3.073 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163763056 432042148 /nfs/dbraw/zinc/04/21/48/432042148.db2.gz MLHDPJMXRFLKKA-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163763056 432042153 /nfs/dbraw/zinc/04/21/53/432042153.db2.gz MLHDPJMXRFLKKA-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000183717843 199634767 /nfs/dbraw/zinc/63/47/67/199634767.db2.gz IZAJXTAOXNYQCG-ZDUSSCGKSA-N 2 2 317.433 3.205 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450397054 283094432 /nfs/dbraw/zinc/09/44/32/283094432.db2.gz UKVYIGPQRGGBBQ-XJKSGUPXSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450397054 283094435 /nfs/dbraw/zinc/09/44/35/283094435.db2.gz UKVYIGPQRGGBBQ-XJKSGUPXSA-N 2 2 321.428 3.032 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000132353471 432048144 /nfs/dbraw/zinc/04/81/44/432048144.db2.gz INJRKTQBKJCPBR-CQSZACIVSA-N 2 2 324.350 3.354 20 0 DGADLP C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132396839 432048576 /nfs/dbraw/zinc/04/85/76/432048576.db2.gz DTSAXPQXMJYVST-KRWDZBQOSA-N 2 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939728 314277863 /nfs/dbraw/zinc/27/78/63/314277863.db2.gz OJDGREOXJIJYAO-VHSXEESVSA-N 2 2 307.385 3.154 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939728 314277867 /nfs/dbraw/zinc/27/78/67/314277867.db2.gz OJDGREOXJIJYAO-VHSXEESVSA-N 2 2 307.385 3.154 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CCC[NH2+]4)cc3)[nH+]c12 ZINC000165503847 432056111 /nfs/dbraw/zinc/05/61/11/432056111.db2.gz UGAFUDJWZCDGNM-MRXNPFEDSA-N 2 2 320.396 3.000 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000166899076 432062712 /nfs/dbraw/zinc/06/27/12/432062712.db2.gz MMNWLXQYZJPUOL-CHWSQXEVSA-N 2 2 312.417 3.286 20 0 DGADLP CCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000167403028 432065468 /nfs/dbraw/zinc/06/54/68/432065468.db2.gz KOJVWHLAALOCKA-CYBMUJFWSA-N 2 2 304.331 3.418 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000167403028 432065471 /nfs/dbraw/zinc/06/54/71/432065471.db2.gz KOJVWHLAALOCKA-CYBMUJFWSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179666958 432066816 /nfs/dbraw/zinc/06/68/16/432066816.db2.gz VDYZJYCMIYWUNZ-DUXPYHPUSA-N 2 2 322.880 3.132 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179666958 432066818 /nfs/dbraw/zinc/06/68/18/432066818.db2.gz VDYZJYCMIYWUNZ-DUXPYHPUSA-N 2 2 322.880 3.132 20 0 DGADLP CCOc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1OC ZINC000179834043 432072190 /nfs/dbraw/zinc/07/21/90/432072190.db2.gz QNMTWCZGPVAHTB-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cc(C)ccc1OC ZINC000179408619 199029740 /nfs/dbraw/zinc/02/97/40/199029740.db2.gz CNTXCPBPXIYKPT-SFHVURJKSA-N 2 2 320.477 3.155 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1Br ZINC000179634556 199067186 /nfs/dbraw/zinc/06/71/86/199067186.db2.gz NWGYQDAQQGLCOP-CQSZACIVSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1Br ZINC000179634556 199067187 /nfs/dbraw/zinc/06/71/87/199067187.db2.gz NWGYQDAQQGLCOP-CQSZACIVSA-N 2 2 311.267 3.141 20 0 DGADLP CCc1ccc([C@H]2C[N@H+](CCCn3cc[nH+]c3C)CCO2)cc1 ZINC000276729300 213072181 /nfs/dbraw/zinc/07/21/81/213072181.db2.gz BLMQANFQLDDHBV-LJQANCHMSA-N 2 2 313.445 3.218 20 0 DGADLP CCc1ccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3C)CCO2)cc1 ZINC000276729300 213072183 /nfs/dbraw/zinc/07/21/83/213072183.db2.gz BLMQANFQLDDHBV-LJQANCHMSA-N 2 2 313.445 3.218 20 0 DGADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000179992474 199104215 /nfs/dbraw/zinc/10/42/15/199104215.db2.gz BYAANMVMVDMNPM-HOTGVXAUSA-N 2 2 317.477 3.054 20 0 DGADLP Cc1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c(C)[nH+]1 ZINC000180572362 199177466 /nfs/dbraw/zinc/17/74/66/199177466.db2.gz NPTWAGCOFTTZFE-UHFFFAOYSA-N 2 2 318.465 3.284 20 0 DGADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000180553855 199175017 /nfs/dbraw/zinc/17/50/17/199175017.db2.gz BVWOFMRETHDIOR-CYBMUJFWSA-N 2 2 301.287 3.306 20 0 DGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]Cc2cccc3cccnc32)cc1 ZINC000415034776 237021238 /nfs/dbraw/zinc/02/12/38/237021238.db2.gz DBUGQXHOYBHCLN-RBUKOAKNSA-N 2 2 303.409 3.080 20 0 DGADLP Fc1ccccc1OC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415086876 237067920 /nfs/dbraw/zinc/06/79/20/237067920.db2.gz VFGKQCBXSGMNPC-FUHWJXTLSA-N 2 2 314.404 3.287 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1c1cccc(F)c1 ZINC000415129955 237099535 /nfs/dbraw/zinc/09/95/35/237099535.db2.gz VTEQFXMYSPXNRW-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1cccc(F)c1 ZINC000415129955 237099539 /nfs/dbraw/zinc/09/95/39/237099539.db2.gz VTEQFXMYSPXNRW-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC000415132405 237105068 /nfs/dbraw/zinc/10/50/68/237105068.db2.gz UDMURGYTRGQHOJ-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC000415132405 237105071 /nfs/dbraw/zinc/10/50/71/237105071.db2.gz UDMURGYTRGQHOJ-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@H]3[NH2+]CCCC3(C)C)cc12 ZINC000423389015 237846428 /nfs/dbraw/zinc/84/64/28/237846428.db2.gz NFNXSGYGTULGAO-SWLSCSKDSA-N 2 2 320.506 3.372 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000423250031 237835748 /nfs/dbraw/zinc/83/57/48/237835748.db2.gz PWOJJYHMFUMBTR-IAQYHMDHSA-N 2 2 305.809 3.094 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340470944 299305272 /nfs/dbraw/zinc/30/52/72/299305272.db2.gz SIMZRQUWIYIXLA-YTQUADARSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CCC[NH2+]C1 ZINC000423343104 237842769 /nfs/dbraw/zinc/84/27/69/237842769.db2.gz NNQQQBNQNXLOLP-OALUTQOASA-N 2 2 313.420 3.289 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCCC2 ZINC000427881572 238004573 /nfs/dbraw/zinc/00/45/73/238004573.db2.gz ZSNPDGRFYRVDTN-OCCSQVGLSA-N 2 2 301.459 3.489 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](c3ccccc3)C(C)(C)CO)c[nH+]c12 ZINC000428474919 238022819 /nfs/dbraw/zinc/02/28/19/238022819.db2.gz ULIKKEBOGSXNIS-GOSISDBHSA-N 2 2 323.440 3.492 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](c3ccccc3)C(C)(C)CO)c[nH+]c12 ZINC000428474920 238022890 /nfs/dbraw/zinc/02/28/90/238022890.db2.gz ULIKKEBOGSXNIS-SFHVURJKSA-N 2 2 323.440 3.492 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428040349 238007273 /nfs/dbraw/zinc/00/72/73/238007273.db2.gz JWLZWZSHODRIBE-CRAIPNDOSA-N 2 2 309.413 3.058 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428040349 238007274 /nfs/dbraw/zinc/00/72/74/238007274.db2.gz JWLZWZSHODRIBE-CRAIPNDOSA-N 2 2 309.413 3.058 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048499 238007547 /nfs/dbraw/zinc/00/75/47/238007547.db2.gz JDVUDMLHWVSYKF-BXUZGUMPSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048499 238007548 /nfs/dbraw/zinc/00/75/48/238007548.db2.gz JDVUDMLHWVSYKF-BXUZGUMPSA-N 2 2 315.244 3.056 20 0 DGADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1C ZINC000431090895 238093923 /nfs/dbraw/zinc/09/39/23/238093923.db2.gz MTYXHUPQYDEKNO-OAHLLOKOSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1C ZINC000431090895 238093924 /nfs/dbraw/zinc/09/39/24/238093924.db2.gz MTYXHUPQYDEKNO-OAHLLOKOSA-N 2 2 314.433 3.217 20 0 DGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430587572 238080693 /nfs/dbraw/zinc/08/06/93/238080693.db2.gz WJRJGPKRAWRYJB-AWEZNQCLSA-N 2 2 313.445 3.084 20 0 DGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430587572 238080694 /nfs/dbraw/zinc/08/06/94/238080694.db2.gz WJRJGPKRAWRYJB-AWEZNQCLSA-N 2 2 313.445 3.084 20 0 DGADLP Cc1c(Cl)c(C[NH2+][C@](C)(C[NH3+])C2CC2)nc2ccccc12 ZINC000430595114 238081289 /nfs/dbraw/zinc/08/12/89/238081289.db2.gz LURIKERDIDEVJF-QGZVFWFLSA-N 2 2 303.837 3.414 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430617897 238081781 /nfs/dbraw/zinc/08/17/81/238081781.db2.gz PVQPGQHVRNDDJX-ZDUSSCGKSA-N 2 2 319.836 3.474 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430617897 238081782 /nfs/dbraw/zinc/08/17/82/238081782.db2.gz PVQPGQHVRNDDJX-ZDUSSCGKSA-N 2 2 319.836 3.474 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430624300 238081837 /nfs/dbraw/zinc/08/18/37/238081837.db2.gz OWCFYQAZCAKWDV-VXGBXAGGSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430624300 238081838 /nfs/dbraw/zinc/08/18/38/238081838.db2.gz OWCFYQAZCAKWDV-VXGBXAGGSA-N 2 2 320.824 3.122 20 0 DGADLP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000281262019 216194941 /nfs/dbraw/zinc/19/49/41/216194941.db2.gz YBTLABRZBFDTHN-CQSZACIVSA-N 2 2 309.404 3.071 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1csc(Cl)c1Cl ZINC000432225512 238122392 /nfs/dbraw/zinc/12/23/92/238122392.db2.gz DYLGRQJDOABQPC-UHFFFAOYSA-N 2 2 311.278 3.113 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1csc(Cl)c1Cl ZINC000432225512 238122393 /nfs/dbraw/zinc/12/23/93/238122393.db2.gz DYLGRQJDOABQPC-UHFFFAOYSA-N 2 2 311.278 3.113 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000281282394 216208324 /nfs/dbraw/zinc/20/83/24/216208324.db2.gz HZQUAJPEGNBSPF-UHFFFAOYSA-N 2 2 311.433 3.220 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NC3CC(C)(C)C3)[nH+]c2)CC1 ZINC000433224331 238151503 /nfs/dbraw/zinc/15/15/03/238151503.db2.gz YSRLUFHHUVKVKJ-UHFFFAOYSA-N 2 2 302.466 3.213 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246081877 432092264 /nfs/dbraw/zinc/09/22/64/432092264.db2.gz HYMYCTACKSUAPV-KDOFPFPSSA-N 2 2 315.465 3.190 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246081877 432092266 /nfs/dbraw/zinc/09/22/66/432092266.db2.gz HYMYCTACKSUAPV-KDOFPFPSSA-N 2 2 315.465 3.190 20 0 DGADLP c1[nH]nc2c1cccc2C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433754120 238165971 /nfs/dbraw/zinc/16/59/71/238165971.db2.gz RBIZUANRMBKWFG-INIZCTEOSA-N 2 2 321.428 3.085 20 0 DGADLP Fc1ccc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000271913294 209319760 /nfs/dbraw/zinc/31/97/60/209319760.db2.gz JAPYLJIBXZCMNG-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000281344688 216237796 /nfs/dbraw/zinc/23/77/96/216237796.db2.gz SXQLPMGZCKQFBA-LJQANCHMSA-N 2 2 321.428 3.333 20 0 DGADLP Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000281344688 216237799 /nfs/dbraw/zinc/23/77/99/216237799.db2.gz SXQLPMGZCKQFBA-LJQANCHMSA-N 2 2 321.428 3.333 20 0 DGADLP c1cc2[nH+]ccc(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)c2cn1 ZINC000435584930 238321499 /nfs/dbraw/zinc/32/14/99/238321499.db2.gz OSCDHLNWGHHYCT-INIZCTEOSA-N 2 2 310.445 3.261 20 0 DGADLP c1cc2[nH+]ccc(NC[C@@H]3CCC[N@H+]3C3CCCCC3)c2cn1 ZINC000435584930 238321502 /nfs/dbraw/zinc/32/15/02/238321502.db2.gz OSCDHLNWGHHYCT-INIZCTEOSA-N 2 2 310.445 3.261 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833844 283630620 /nfs/dbraw/zinc/63/06/20/283630620.db2.gz WRLJMPRBULYJNR-OALUTQOASA-N 3 2 301.478 3.032 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)[nH]c2c1 ZINC000193996898 201159012 /nfs/dbraw/zinc/15/90/12/201159012.db2.gz CELQHGNZGIJWTM-FSPWUOQZSA-N 2 2 311.429 3.043 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)cs1 ZINC000193945596 201151068 /nfs/dbraw/zinc/15/10/68/201151068.db2.gz KOZMZAWIFRMCNF-VIFPVBQESA-N 2 2 300.225 3.058 20 0 DGADLP COCCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000442874525 239140893 /nfs/dbraw/zinc/14/08/93/239140893.db2.gz MKKHLUVNIKEXQW-IRXDYDNUSA-N 2 2 317.408 3.095 20 0 DGADLP C[C@H]1COCC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000195057979 201332858 /nfs/dbraw/zinc/33/28/58/201332858.db2.gz GYVXJWPJNVUBBD-KXBFYZLASA-N 2 2 317.477 3.054 20 0 DGADLP C[C@H](C[NH2+]Cc1cnc(C(F)(F)F)s1)C[NH+]1CCCCC1 ZINC000443980583 239244038 /nfs/dbraw/zinc/24/40/38/239244038.db2.gz NGQWROPSBGLGCQ-LLVKDONJSA-N 2 2 321.412 3.374 20 0 DGADLP CC[N@@H+](Cc1nccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135111326 432100646 /nfs/dbraw/zinc/10/06/46/432100646.db2.gz XHTFWWVZOXTIKN-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP CC[N@H+](Cc1nccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000135111326 432100652 /nfs/dbraw/zinc/10/06/52/432100652.db2.gz XHTFWWVZOXTIKN-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP COc1cccc2c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc[nH+]c12 ZINC000275443985 212336861 /nfs/dbraw/zinc/33/68/61/212336861.db2.gz FSHRUOXVNUGSAT-ZDUSSCGKSA-N 2 2 308.385 3.351 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CSC[C@H]1C)c1cccc(OC)c1 ZINC000449069450 240002899 /nfs/dbraw/zinc/00/28/99/240002899.db2.gz XCKANCKILQHGBK-ZTFGCOKTSA-N 2 2 322.518 3.419 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000449107910 240021231 /nfs/dbraw/zinc/02/12/31/240021231.db2.gz OYPRMGNJFSROMS-HXUWFJFHSA-N 3 2 321.553 3.494 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n(C2CCCC2)n1 ZINC000449181387 240054996 /nfs/dbraw/zinc/05/49/96/240054996.db2.gz HAOWOPYYNNFEIG-UHFFFAOYSA-N 2 2 316.493 3.495 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000449207939 240067874 /nfs/dbraw/zinc/06/78/74/240067874.db2.gz OMIZPGOSORJOAO-KBAYOESNSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000449207939 240067879 /nfs/dbraw/zinc/06/78/79/240067879.db2.gz OMIZPGOSORJOAO-KBAYOESNSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449224025 240077762 /nfs/dbraw/zinc/07/77/62/240077762.db2.gz GVCUUYICSOORLB-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449224025 240077767 /nfs/dbraw/zinc/07/77/67/240077767.db2.gz GVCUUYICSOORLB-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCC(OC3CCCC3)CC1)CC2 ZINC000449256665 240094037 /nfs/dbraw/zinc/09/40/37/240094037.db2.gz FEVRGMUHYWBYSR-ISXOHVOVSA-N 2 2 303.450 3.058 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000449255657 240094044 /nfs/dbraw/zinc/09/40/44/240094044.db2.gz FWQLWJOASBIGST-LTDCPUDJSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000449255657 240094050 /nfs/dbraw/zinc/09/40/50/240094050.db2.gz FWQLWJOASBIGST-LTDCPUDJSA-N 2 2 302.462 3.053 20 0 DGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000449340860 240143044 /nfs/dbraw/zinc/14/30/44/240143044.db2.gz QONJHJPMLWUJBT-CQSZACIVSA-N 2 2 300.406 3.039 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449385447 240168542 /nfs/dbraw/zinc/16/85/42/240168542.db2.gz QMOZMGKPKYAJJR-SFHVURJKSA-N 3 2 309.542 3.349 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449386973 240168950 /nfs/dbraw/zinc/16/89/50/240168950.db2.gz KFEKWMZJXGOVGX-SLFFLAALSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000449386973 240168954 /nfs/dbraw/zinc/16/89/54/240168954.db2.gz KFEKWMZJXGOVGX-SLFFLAALSA-N 2 2 316.489 3.068 20 0 DGADLP COCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000449556603 240288313 /nfs/dbraw/zinc/28/83/13/240288313.db2.gz SKTXKCRNAVTFQY-AWEZNQCLSA-N 2 2 313.323 3.296 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449557203 240288629 /nfs/dbraw/zinc/28/86/29/240288629.db2.gz QISTYRSZNPNRDT-CABCVRRESA-N 2 2 305.466 3.067 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449635313 240335107 /nfs/dbraw/zinc/33/51/07/240335107.db2.gz BODPVWJHRVZMJY-WNHJNPCNSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449635313 240335110 /nfs/dbraw/zinc/33/51/10/240335110.db2.gz BODPVWJHRVZMJY-WNHJNPCNSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000449736527 240390447 /nfs/dbraw/zinc/39/04/47/240390447.db2.gz VNDMLGDOXJDLSQ-JXFKEZNVSA-N 2 2 309.457 3.309 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000449736527 240390450 /nfs/dbraw/zinc/39/04/50/240390450.db2.gz VNDMLGDOXJDLSQ-JXFKEZNVSA-N 2 2 309.457 3.309 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000449687911 240372154 /nfs/dbraw/zinc/37/21/54/240372154.db2.gz DYQFWHRPRNNIBB-UHFFFAOYSA-N 2 2 324.403 3.437 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449750523 240397740 /nfs/dbraw/zinc/39/77/40/240397740.db2.gz VCFDWGGYPAKNEV-YJBOKZPZSA-N 2 2 317.477 3.223 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000449748428 240399030 /nfs/dbraw/zinc/39/90/30/240399030.db2.gz MDDQLUGZDUPWTL-INIZCTEOSA-N 2 2 324.509 3.210 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCCC1 ZINC000171141737 432106427 /nfs/dbraw/zinc/10/64/27/432106427.db2.gz LPRLZICJWRBVTR-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)C[NH+]1CCCC1 ZINC000171141697 432106848 /nfs/dbraw/zinc/10/68/48/432106848.db2.gz OIUMHWCSIKTJLL-XLIONFOSSA-N 2 2 309.457 3.493 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000091959681 193132462 /nfs/dbraw/zinc/13/24/62/193132462.db2.gz BHVMBABRIGKNBO-QAPCUYQASA-N 2 2 321.428 3.356 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000091959681 193132465 /nfs/dbraw/zinc/13/24/65/193132465.db2.gz BHVMBABRIGKNBO-QAPCUYQASA-N 2 2 321.428 3.356 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043830 193145044 /nfs/dbraw/zinc/14/50/44/193145044.db2.gz HHKWQWHHXQHICM-QUCCMNQESA-N 2 2 324.472 3.205 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043830 193145046 /nfs/dbraw/zinc/14/50/46/193145046.db2.gz HHKWQWHHXQHICM-QUCCMNQESA-N 2 2 324.472 3.205 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043830 193145048 /nfs/dbraw/zinc/14/50/48/193145048.db2.gz HHKWQWHHXQHICM-QUCCMNQESA-N 2 2 324.472 3.205 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043830 193145050 /nfs/dbraw/zinc/14/50/50/193145050.db2.gz HHKWQWHHXQHICM-QUCCMNQESA-N 2 2 324.472 3.205 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043051 193145246 /nfs/dbraw/zinc/14/52/46/193145246.db2.gz LQXMFAUTSWLWIF-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043051 193145247 /nfs/dbraw/zinc/14/52/47/193145247.db2.gz LQXMFAUTSWLWIF-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043051 193145249 /nfs/dbraw/zinc/14/52/49/193145249.db2.gz LQXMFAUTSWLWIF-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043051 193145250 /nfs/dbraw/zinc/14/52/50/193145250.db2.gz LQXMFAUTSWLWIF-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP C[C@@H]1Cc2[nH+]cn(Cc3ccc(-n4cc[nH+]c4)cc3)c2C[C@H]1C ZINC000451347659 241091663 /nfs/dbraw/zinc/09/16/63/241091663.db2.gz WHHVFVKHTHXNEW-HUUCEWRRSA-N 2 2 306.413 3.488 20 0 DGADLP C[C@@H]1Cc2c([nH+]cn2Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000451347660 241091716 /nfs/dbraw/zinc/09/17/16/241091716.db2.gz WHHVFVKHTHXNEW-LSDHHAIUSA-N 2 2 306.413 3.488 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000451473131 241135416 /nfs/dbraw/zinc/13/54/16/241135416.db2.gz VKNRZWNQLIXOGR-KSZLIROESA-N 2 2 311.429 3.084 20 0 DGADLP C[N@H+](Cc1ccc(F)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119681 241322759 /nfs/dbraw/zinc/32/27/59/241322759.db2.gz QQLVKFOENXMJRN-UHFFFAOYSA-N 2 2 319.346 3.069 20 0 DGADLP C[N@@H+](Cc1ccc(F)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119681 241322762 /nfs/dbraw/zinc/32/27/62/241322762.db2.gz QQLVKFOENXMJRN-UHFFFAOYSA-N 2 2 319.346 3.069 20 0 DGADLP Fc1cccc(CC2CC[NH+](CCn3cc[nH+]c3)CC2)c1F ZINC000451959955 241284653 /nfs/dbraw/zinc/28/46/53/241284653.db2.gz ODVHFHMTWRMTTM-UHFFFAOYSA-N 2 2 305.372 3.116 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)C2=CCCC2)CC1 ZINC000453578680 241826231 /nfs/dbraw/zinc/82/62/31/241826231.db2.gz JAFWKLWNSBEICN-UHFFFAOYSA-N 2 2 322.493 3.130 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCC[NH2+]C2CCCCC2)c(C)[nH+]1 ZINC000455469172 242208411 /nfs/dbraw/zinc/20/84/11/242208411.db2.gz HFLMLFYNFRHUQE-UHFFFAOYSA-N 2 2 318.465 3.441 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000455481737 242213918 /nfs/dbraw/zinc/21/39/18/242213918.db2.gz OYPHXKZRTQRMFA-MRXNPFEDSA-N 2 2 316.449 3.099 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CC2)CCOCC1)c1ccccc1 ZINC000177359244 296112615 /nfs/dbraw/zinc/11/26/15/296112615.db2.gz NZAPVKWRUMXQKZ-HZPDHXFCSA-N 2 2 302.462 3.275 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccnn1C ZINC000192862998 296116967 /nfs/dbraw/zinc/11/69/67/296116967.db2.gz YFHBYNJOOQCSBJ-HUUCEWRRSA-N 2 2 300.450 3.200 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CCO1 ZINC000459323586 243334949 /nfs/dbraw/zinc/33/49/49/243334949.db2.gz IUPFOGDHMDUXPF-INIZCTEOSA-N 2 2 314.473 3.249 20 0 DGADLP C[N@H+](Cc1cncc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000275142116 212147006 /nfs/dbraw/zinc/14/70/06/212147006.db2.gz PAJBDFNBZXLWDO-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[N@@H+](Cc1cncc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000275142116 212147009 /nfs/dbraw/zinc/14/70/09/212147009.db2.gz PAJBDFNBZXLWDO-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000459449554 243375109 /nfs/dbraw/zinc/37/51/09/243375109.db2.gz ZOAMVXAHHAOOSX-INIZCTEOSA-N 2 2 307.800 3.187 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000459449554 243375113 /nfs/dbraw/zinc/37/51/13/243375113.db2.gz ZOAMVXAHHAOOSX-INIZCTEOSA-N 2 2 307.800 3.187 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]C2CC(C)(c3ccccc3)C2)CCSC1 ZINC000459433713 243369283 /nfs/dbraw/zinc/36/92/83/243369283.db2.gz TVEFMDQFGOAYHH-ABHNRTSZSA-N 2 2 304.503 3.134 20 0 DGADLP Cc1[nH]ncc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093006885 193193135 /nfs/dbraw/zinc/19/31/35/193193135.db2.gz RWKYNKUSORFNPZ-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP Cc1[nH]ncc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000093006885 193193137 /nfs/dbraw/zinc/19/31/37/193193137.db2.gz RWKYNKUSORFNPZ-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468554229 244052647 /nfs/dbraw/zinc/05/26/47/244052647.db2.gz MTQKWYMJMZOVGO-RAUXBKROSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468554229 244052654 /nfs/dbraw/zinc/05/26/54/244052654.db2.gz MTQKWYMJMZOVGO-RAUXBKROSA-N 2 2 318.505 3.284 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468428721 244040982 /nfs/dbraw/zinc/04/09/82/244040982.db2.gz SFCZOKFWBVEZHX-UHOSZYNNSA-N 2 2 304.478 3.038 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468428721 244040984 /nfs/dbraw/zinc/04/09/84/244040984.db2.gz SFCZOKFWBVEZHX-UHOSZYNNSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1Br ZINC000469063175 244082550 /nfs/dbraw/zinc/08/25/50/244082550.db2.gz VOCQGRVBONYZPX-OCCSQVGLSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1Br ZINC000469063175 244082554 /nfs/dbraw/zinc/08/25/54/244082554.db2.gz VOCQGRVBONYZPX-OCCSQVGLSA-N 2 2 311.267 3.187 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000470359652 244168398 /nfs/dbraw/zinc/16/83/98/244168398.db2.gz RJOHGRCGWFDUDN-LSDHHAIUSA-N 2 2 310.869 3.144 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000474043674 244363809 /nfs/dbraw/zinc/36/38/09/244363809.db2.gz ZONXYEWTQQFSRR-BVGQSLNGSA-N 2 2 302.462 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000474043674 244363812 /nfs/dbraw/zinc/36/38/12/244363812.db2.gz ZONXYEWTQQFSRR-BVGQSLNGSA-N 2 2 302.462 3.490 20 0 DGADLP Cc1cccnc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093177581 193212130 /nfs/dbraw/zinc/21/21/30/193212130.db2.gz KQINRHGHVPGNBR-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccnc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093177581 193212131 /nfs/dbraw/zinc/21/21/31/193212131.db2.gz KQINRHGHVPGNBR-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccnc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093177581 193212132 /nfs/dbraw/zinc/21/21/32/193212132.db2.gz KQINRHGHVPGNBR-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccnc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093177581 193212133 /nfs/dbraw/zinc/21/21/33/193212133.db2.gz KQINRHGHVPGNBR-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)ccc1OC ZINC000093693218 193290365 /nfs/dbraw/zinc/29/03/65/193290365.db2.gz SOWXCIAETHJVII-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)ccc1OC ZINC000093693218 193290367 /nfs/dbraw/zinc/29/03/67/193290367.db2.gz SOWXCIAETHJVII-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770048 193303056 /nfs/dbraw/zinc/30/30/56/193303056.db2.gz CTBBKOLJDRZTTE-QGZVFWFLSA-N 2 2 320.477 3.256 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770048 193303058 /nfs/dbraw/zinc/30/30/58/193303058.db2.gz CTBBKOLJDRZTTE-QGZVFWFLSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770048 193303060 /nfs/dbraw/zinc/30/30/60/193303060.db2.gz CTBBKOLJDRZTTE-QGZVFWFLSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770048 193303062 /nfs/dbraw/zinc/30/30/62/193303062.db2.gz CTBBKOLJDRZTTE-QGZVFWFLSA-N 2 2 320.477 3.256 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1F)CC(C)(C)C[NH3+] ZINC000093861127 193319977 /nfs/dbraw/zinc/31/99/77/193319977.db2.gz KXHQCSNQRDRTFS-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1F)CC(C)(C)C[NH3+] ZINC000093861127 193319979 /nfs/dbraw/zinc/31/99/79/193319979.db2.gz KXHQCSNQRDRTFS-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)c1 ZINC000121007668 284184844 /nfs/dbraw/zinc/18/48/44/284184844.db2.gz VCXQEACYLGCJDG-LJQANCHMSA-N 2 2 302.462 3.092 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000487272247 245043520 /nfs/dbraw/zinc/04/35/20/245043520.db2.gz LQPLPLMCHJWYMD-MLGOLLRUSA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000487272247 245043525 /nfs/dbraw/zinc/04/35/25/245043525.db2.gz LQPLPLMCHJWYMD-MLGOLLRUSA-N 2 2 308.853 3.311 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000487337442 245051155 /nfs/dbraw/zinc/05/11/55/245051155.db2.gz UMSXEGUTXMRLIJ-REAYAIGQSA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487337442 245051160 /nfs/dbraw/zinc/05/11/60/245051160.db2.gz UMSXEGUTXMRLIJ-REAYAIGQSA-N 2 2 307.441 3.347 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487924760 245123932 /nfs/dbraw/zinc/12/39/32/245123932.db2.gz YYBIOQSAPLAADA-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487924760 245123934 /nfs/dbraw/zinc/12/39/34/245123934.db2.gz YYBIOQSAPLAADA-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000487924760 245123938 /nfs/dbraw/zinc/12/39/38/245123938.db2.gz YYBIOQSAPLAADA-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000487924760 245123944 /nfs/dbraw/zinc/12/39/44/245123944.db2.gz YYBIOQSAPLAADA-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314521 245176465 /nfs/dbraw/zinc/17/64/65/245176465.db2.gz OFDCHSAKZUCBSO-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314521 245176467 /nfs/dbraw/zinc/17/64/67/245176467.db2.gz OFDCHSAKZUCBSO-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314521 245176469 /nfs/dbraw/zinc/17/64/69/245176469.db2.gz OFDCHSAKZUCBSO-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314521 245176471 /nfs/dbraw/zinc/17/64/71/245176471.db2.gz OFDCHSAKZUCBSO-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488713085 245221270 /nfs/dbraw/zinc/22/12/70/245221270.db2.gz LCCSGYDHWZXJKB-AWEZNQCLSA-N 2 2 302.466 3.219 20 0 DGADLP Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488713085 245221275 /nfs/dbraw/zinc/22/12/75/245221275.db2.gz LCCSGYDHWZXJKB-AWEZNQCLSA-N 2 2 302.466 3.219 20 0 DGADLP CC(C)c1nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C(C)(C)C)[nH+]1 ZINC000488748567 245229230 /nfs/dbraw/zinc/22/92/30/245229230.db2.gz PZVISYUWDVTHQI-LJQANCHMSA-N 2 2 316.493 3.430 20 0 DGADLP CC(C)c1nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C(C)(C)C)[nH+]1 ZINC000488748567 245229233 /nfs/dbraw/zinc/22/92/33/245229233.db2.gz PZVISYUWDVTHQI-LJQANCHMSA-N 2 2 316.493 3.430 20 0 DGADLP COCCSCCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000488985264 245259203 /nfs/dbraw/zinc/25/92/03/245259203.db2.gz UAVXZANJOASSRB-UHFFFAOYSA-N 2 2 316.555 3.343 20 0 DGADLP COCCSCCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000488985264 245259206 /nfs/dbraw/zinc/25/92/06/245259206.db2.gz UAVXZANJOASSRB-UHFFFAOYSA-N 2 2 316.555 3.343 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489934345 245363034 /nfs/dbraw/zinc/36/30/34/245363034.db2.gz MEHNHEQTMIKQBQ-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489934345 245363039 /nfs/dbraw/zinc/36/30/39/245363039.db2.gz MEHNHEQTMIKQBQ-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282492193 217036494 /nfs/dbraw/zinc/03/64/94/217036494.db2.gz HTQZINYJEQEPFJ-RBUKOAKNSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282492193 217036497 /nfs/dbraw/zinc/03/64/97/217036497.db2.gz HTQZINYJEQEPFJ-RBUKOAKNSA-N 2 2 314.473 3.200 20 0 DGADLP COc1ccccc1[C@@H](CNc1cc[nH+]c(C)n1)[NH+]1CCCC1 ZINC000266156581 205145244 /nfs/dbraw/zinc/14/52/44/205145244.db2.gz VICHSQHOKFMWLA-MRXNPFEDSA-N 2 2 312.417 3.043 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(-c2cnn(C)c2)c1 ZINC000282788030 217250781 /nfs/dbraw/zinc/25/07/81/217250781.db2.gz YHXXLTYAGNSBFV-INIZCTEOSA-N 2 2 323.444 3.018 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCCOC)c1cccc(OC)c1 ZINC000268734533 432129196 /nfs/dbraw/zinc/12/91/96/432129196.db2.gz CXHOQHYFWPXPIY-LPHOPBHVSA-N 2 2 322.493 3.483 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(F)ccc1Br ZINC000020052130 182183935 /nfs/dbraw/zinc/18/39/35/182183935.db2.gz UETHCIFSTLSFDF-UHFFFAOYSA-N 2 2 317.246 3.410 20 0 DGADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000493769400 246062396 /nfs/dbraw/zinc/06/23/96/246062396.db2.gz RKWNEFHIUXGKHV-QWRGUYRKSA-N 2 2 319.792 3.449 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767696 246063246 /nfs/dbraw/zinc/06/32/46/246063246.db2.gz NLRJPZQRFOYSPH-BSDSXHPESA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767696 246063252 /nfs/dbraw/zinc/06/32/52/246063252.db2.gz NLRJPZQRFOYSPH-BSDSXHPESA-N 2 2 306.494 3.188 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000493736395 246053286 /nfs/dbraw/zinc/05/32/86/246053286.db2.gz OBCLZNRXDQXDCC-MNEFBYGVSA-N 2 2 316.489 3.335 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000493736395 246053287 /nfs/dbraw/zinc/05/32/87/246053287.db2.gz OBCLZNRXDQXDCC-MNEFBYGVSA-N 2 2 316.489 3.335 20 0 DGADLP COCC(C)(C)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000494001162 246104438 /nfs/dbraw/zinc/10/44/38/246104438.db2.gz YGFUTVBHZTTWLO-UHFFFAOYSA-N 2 2 314.539 3.000 20 0 DGADLP CCCc1csc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000494146623 246117307 /nfs/dbraw/zinc/11/73/07/246117307.db2.gz ULQHCYNJQQWFIB-CYBMUJFWSA-N 2 2 304.463 3.268 20 0 DGADLP COCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000494355610 246139061 /nfs/dbraw/zinc/13/90/61/246139061.db2.gz GDDPMFMZQWXNJM-UHFFFAOYSA-N 2 2 308.441 3.052 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cnc(-c3ccsc3)s1)CC2 ZINC000494390216 246142509 /nfs/dbraw/zinc/14/25/09/246142509.db2.gz FXNRWDYQUFOGHS-GFCCVEGCSA-N 2 2 316.455 3.173 20 0 DGADLP Clc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ncccc12 ZINC000494395574 246143579 /nfs/dbraw/zinc/14/35/79/246143579.db2.gz XWYVGTCMEBMYER-CYBMUJFWSA-N 2 2 312.804 3.189 20 0 DGADLP c1csc(-c2ncc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000494407316 246145254 /nfs/dbraw/zinc/14/52/54/246145254.db2.gz TUOKLCPYZNVEHG-NSHDSACASA-N 2 2 316.455 3.173 20 0 DGADLP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000494876971 246205184 /nfs/dbraw/zinc/20/51/84/246205184.db2.gz GDQSKPRTLAMTTK-CRAIPNDOSA-N 2 2 317.408 3.170 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1F ZINC000494996652 246221764 /nfs/dbraw/zinc/22/17/64/246221764.db2.gz MGBBNDWTKVCSSG-INIZCTEOSA-N 2 2 308.441 3.388 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1F ZINC000494996652 246221767 /nfs/dbraw/zinc/22/17/67/246221767.db2.gz MGBBNDWTKVCSSG-INIZCTEOSA-N 2 2 308.441 3.388 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(CCO)CCCC2)n1-c1ccccc1 ZINC000267597556 206164981 /nfs/dbraw/zinc/16/49/81/206164981.db2.gz CVSHEYRFUZLLFL-UHFFFAOYSA-N 2 2 313.445 3.213 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268800994 432136697 /nfs/dbraw/zinc/13/66/97/432136697.db2.gz YKSMZJSRRPEBRH-CWFSZBLJSA-N 3 2 324.472 3.458 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268800994 432136701 /nfs/dbraw/zinc/13/67/01/432136701.db2.gz YKSMZJSRRPEBRH-CWFSZBLJSA-N 3 2 324.472 3.458 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268815415 432141148 /nfs/dbraw/zinc/14/11/48/432141148.db2.gz KERMVPBNFYTKBS-LYRGGWFBSA-N 2 2 306.450 3.435 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268815415 432141151 /nfs/dbraw/zinc/14/11/51/432141151.db2.gz KERMVPBNFYTKBS-LYRGGWFBSA-N 2 2 306.450 3.435 20 0 DGADLP CCc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC000190300244 432141516 /nfs/dbraw/zinc/14/15/16/432141516.db2.gz ZRWPDEVBNTYZRX-OALUTQOASA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC000190300244 432141517 /nfs/dbraw/zinc/14/15/17/432141517.db2.gz ZRWPDEVBNTYZRX-OALUTQOASA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC000190300244 432141521 /nfs/dbraw/zinc/14/15/21/432141521.db2.gz ZRWPDEVBNTYZRX-OALUTQOASA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@@H]3CCC[N@H+]3C)CCO2)cc1 ZINC000190300244 432141524 /nfs/dbraw/zinc/14/15/24/432141524.db2.gz ZRWPDEVBNTYZRX-OALUTQOASA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261591659 296237727 /nfs/dbraw/zinc/23/77/27/296237727.db2.gz XYIPRQVKFJJYQK-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261591659 296237728 /nfs/dbraw/zinc/23/77/28/296237728.db2.gz XYIPRQVKFJJYQK-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP Cc1ccc2nc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cn2c1 ZINC000267888903 206319864 /nfs/dbraw/zinc/31/98/64/206319864.db2.gz SSRUGRHKDCVJGT-UHFFFAOYSA-N 2 2 300.450 3.042 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864895 432144729 /nfs/dbraw/zinc/14/47/29/432144729.db2.gz FFMPVWBTMFETTI-UWJYYQICSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864895 432144730 /nfs/dbraw/zinc/14/47/30/432144730.db2.gz FFMPVWBTMFETTI-UWJYYQICSA-N 2 2 323.484 3.250 20 0 DGADLP COc1ccccc1[C@H](CNc1cc[nH+]c(C(C)C)n1)[NH+](C)C ZINC000106462500 194217881 /nfs/dbraw/zinc/21/78/81/194217881.db2.gz ROQFXSDUOCZEBY-HNNXBMFYSA-N 2 2 314.433 3.323 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285237346 218346560 /nfs/dbraw/zinc/34/65/60/218346560.db2.gz PNWBIPGUSGGNOF-MAUKXSAKSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285237346 218346561 /nfs/dbraw/zinc/34/65/61/218346561.db2.gz PNWBIPGUSGGNOF-MAUKXSAKSA-N 2 2 312.461 3.361 20 0 DGADLP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268732191 206935682 /nfs/dbraw/zinc/93/56/82/206935682.db2.gz MNRXCYJNZGTTEX-KGLIPLIRSA-N 2 2 310.869 3.317 20 0 DGADLP CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268849636 207017430 /nfs/dbraw/zinc/01/74/30/207017430.db2.gz CLIWLSZIBGTMSR-INIZCTEOSA-N 2 2 310.869 3.055 20 0 DGADLP CC[NH+](CC)CCOc1ccc(CNc2cc(C)[nH+]cn2)cc1 ZINC000110204228 194316482 /nfs/dbraw/zinc/31/64/82/194316482.db2.gz HCEVIASQZWACFW-UHFFFAOYSA-N 2 2 314.433 3.118 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc(F)ccc1F ZINC000058518935 184121366 /nfs/dbraw/zinc/12/13/66/184121366.db2.gz CLUAVMNWKTWLOO-UHFFFAOYSA-N 2 2 301.340 3.413 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000060856763 184156991 /nfs/dbraw/zinc/15/69/91/184156991.db2.gz HJUJYBUBSUVKJU-UHFFFAOYSA-N 2 2 324.424 3.170 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269049817 207198653 /nfs/dbraw/zinc/19/86/53/207198653.db2.gz ZHCXJHGHBSFRJF-YYWHXJBOSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269049817 207198654 /nfs/dbraw/zinc/19/86/54/207198654.db2.gz ZHCXJHGHBSFRJF-YYWHXJBOSA-N 2 2 324.468 3.363 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000269040452 207190314 /nfs/dbraw/zinc/19/03/14/207190314.db2.gz GKPMFJQSTACVQH-SIFCLUCFSA-N 3 2 324.472 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000269040452 207190318 /nfs/dbraw/zinc/19/03/18/207190318.db2.gz GKPMFJQSTACVQH-SIFCLUCFSA-N 3 2 324.472 3.314 20 0 DGADLP c1sc(C[NH2+]CCC[NH+]2CCCC2)nc1-c1ccccc1 ZINC000061680777 184182231 /nfs/dbraw/zinc/18/22/31/184182231.db2.gz LWRMJAOBNAZOTD-UHFFFAOYSA-N 2 2 301.459 3.386 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061981475 184199881 /nfs/dbraw/zinc/19/98/81/184199881.db2.gz MTHLUBQVNHDFNM-IUODEOHRSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061981475 184199883 /nfs/dbraw/zinc/19/98/83/184199883.db2.gz MTHLUBQVNHDFNM-IUODEOHRSA-N 2 2 323.278 3.206 20 0 DGADLP COc1ccccc1[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC(C)C ZINC000423046367 532973992 /nfs/dbraw/zinc/97/39/92/532973992.db2.gz DJXFCQXYZZGRMX-VDZJLULYSA-N 2 2 320.477 3.282 20 0 DGADLP Cn1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000158528195 252644711 /nfs/dbraw/zinc/64/47/11/252644711.db2.gz OAKVXSJXMUBBJM-UHFFFAOYSA-N 2 2 317.864 3.433 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248736860 285021040 /nfs/dbraw/zinc/02/10/40/285021040.db2.gz QBQLSLVTAHFFGG-KBAYOESNSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248736860 285021043 /nfs/dbraw/zinc/02/10/43/285021043.db2.gz QBQLSLVTAHFFGG-KBAYOESNSA-N 2 2 322.493 3.057 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415076358 532980766 /nfs/dbraw/zinc/98/07/66/532980766.db2.gz AWKKLDSDBDTAPH-JXFKEZNVSA-N 2 2 310.441 3.374 20 0 DGADLP Cn1cc(C[N@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cn1 ZINC000119707406 195022238 /nfs/dbraw/zinc/02/22/38/195022238.db2.gz HBTKOHJJRLOEMZ-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cn1 ZINC000119707406 195022240 /nfs/dbraw/zinc/02/22/40/195022240.db2.gz HBTKOHJJRLOEMZ-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP Cn1cc(C[NH+](C)CC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000119707406 195022242 /nfs/dbraw/zinc/02/22/42/195022242.db2.gz HBTKOHJJRLOEMZ-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP Cn1cc(C[NH+](C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000119707406 195022244 /nfs/dbraw/zinc/02/22/44/195022244.db2.gz HBTKOHJJRLOEMZ-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695069 533004015 /nfs/dbraw/zinc/00/40/15/533004015.db2.gz DCDAYTBUISPAIM-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695069 533004020 /nfs/dbraw/zinc/00/40/20/533004020.db2.gz DCDAYTBUISPAIM-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695071 533005613 /nfs/dbraw/zinc/00/56/13/533005613.db2.gz DCDAYTBUISPAIM-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695071 533005621 /nfs/dbraw/zinc/00/56/21/533005621.db2.gz DCDAYTBUISPAIM-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119974666 195073244 /nfs/dbraw/zinc/07/32/44/195073244.db2.gz XJYKNQWBRMQXRO-BBWFWOEESA-N 2 2 320.477 3.235 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119974666 195073247 /nfs/dbraw/zinc/07/32/47/195073247.db2.gz XJYKNQWBRMQXRO-BBWFWOEESA-N 2 2 320.477 3.235 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000120042246 195085944 /nfs/dbraw/zinc/08/59/44/195085944.db2.gz ZUGDJJLZRIVDJA-IPELMVKDSA-N 2 2 312.461 3.124 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000120042246 195085946 /nfs/dbraw/zinc/08/59/46/195085946.db2.gz ZUGDJJLZRIVDJA-IPELMVKDSA-N 2 2 312.461 3.124 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000120053361 195089281 /nfs/dbraw/zinc/08/92/81/195089281.db2.gz AVLURJLXDOYNHV-TXPKVOOTSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000120053361 195089282 /nfs/dbraw/zinc/08/92/82/195089282.db2.gz AVLURJLXDOYNHV-TXPKVOOTSA-N 2 2 312.461 3.217 20 0 DGADLP CC(C)n1c[nH+]cc1CN[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000336724025 253000186 /nfs/dbraw/zinc/00/01/86/253000186.db2.gz WYLDSBZEMCXISH-MRXNPFEDSA-N 2 2 300.450 3.074 20 0 DGADLP CC(C)n1c[nH+]cc1CN[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000336724025 253000188 /nfs/dbraw/zinc/00/01/88/253000188.db2.gz WYLDSBZEMCXISH-MRXNPFEDSA-N 2 2 300.450 3.074 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)C[NH+](C)C ZINC000336834083 253004284 /nfs/dbraw/zinc/00/42/84/253004284.db2.gz PPJUAERDJGXNSX-SNVBAGLBSA-N 2 2 306.784 3.229 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnn(C)c1C ZINC000270093824 208151422 /nfs/dbraw/zinc/15/14/22/208151422.db2.gz AWBZYZCYXNSLGY-KRWDZBQOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1C ZINC000270093824 208151428 /nfs/dbraw/zinc/15/14/28/208151428.db2.gz AWBZYZCYXNSLGY-KRWDZBQOSA-N 2 2 323.444 3.051 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000337195671 253059899 /nfs/dbraw/zinc/05/98/99/253059899.db2.gz WYWSVKHAQPDQIN-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP CC[N@H+](CCOCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000337209621 253062042 /nfs/dbraw/zinc/06/20/42/253062042.db2.gz BDUKPUOVUYTZAF-UHFFFAOYSA-N 2 2 319.493 3.293 20 0 DGADLP CC[N@@H+](CCOCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000337209621 253062044 /nfs/dbraw/zinc/06/20/44/253062044.db2.gz BDUKPUOVUYTZAF-UHFFFAOYSA-N 2 2 319.493 3.293 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)Cc1noc(C[NH3+])n1 ZINC000337078630 253043924 /nfs/dbraw/zinc/04/39/24/253043924.db2.gz SUAJULWNKVEUOX-MRXNPFEDSA-N 2 2 316.449 3.152 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cc1noc(C[NH3+])n1 ZINC000337078630 253043926 /nfs/dbraw/zinc/04/39/26/253043926.db2.gz SUAJULWNKVEUOX-MRXNPFEDSA-N 2 2 316.449 3.152 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCC[C@H]3OC(F)F)n2c1 ZINC000337281533 253077707 /nfs/dbraw/zinc/07/77/07/253077707.db2.gz HWEXYZKEQGWLSV-UONOGXRCSA-N 2 2 309.360 3.283 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@@H+]1C1CC1 ZINC000337308764 253083457 /nfs/dbraw/zinc/08/34/57/253083457.db2.gz VDESLGRHZQQNDV-CJNGLKHVSA-N 2 2 315.436 3.454 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@H+]1C1CC1 ZINC000337308764 253083460 /nfs/dbraw/zinc/08/34/60/253083460.db2.gz VDESLGRHZQQNDV-CJNGLKHVSA-N 2 2 315.436 3.454 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337323326 253087045 /nfs/dbraw/zinc/08/70/45/253087045.db2.gz AJBSLDMAFDPDBI-LMMKCTJWSA-N 2 2 301.478 3.429 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337323326 253087047 /nfs/dbraw/zinc/08/70/47/253087047.db2.gz AJBSLDMAFDPDBI-LMMKCTJWSA-N 2 2 301.478 3.429 20 0 DGADLP CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000337245777 253068872 /nfs/dbraw/zinc/06/88/72/253068872.db2.gz JENZIVSDRFCAQN-UHFFFAOYSA-N 2 2 323.868 3.072 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337375366 253100160 /nfs/dbraw/zinc/10/01/60/253100160.db2.gz AWYZMTCVHHIJNA-OALUTQOASA-N 2 2 313.445 3.226 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCC34CCOCC4)c2)c[nH+]1 ZINC000337376232 253101194 /nfs/dbraw/zinc/10/11/94/253101194.db2.gz GVGLCQCSQOKKRC-SFHVURJKSA-N 2 2 311.429 3.311 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC000337410945 253110044 /nfs/dbraw/zinc/11/00/44/253110044.db2.gz WVPADCFJRHPSKA-GJZGRUSLSA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000337410945 253110046 /nfs/dbraw/zinc/11/00/46/253110046.db2.gz WVPADCFJRHPSKA-GJZGRUSLSA-N 2 2 320.477 3.016 20 0 DGADLP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000337409569 253110236 /nfs/dbraw/zinc/11/02/36/253110236.db2.gz WFKZDMMPARJPGQ-MRXNPFEDSA-N 2 2 323.431 3.461 20 0 DGADLP COc1ccc([C@H](C[NH2+][C@@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000337347883 253093302 /nfs/dbraw/zinc/09/33/02/253093302.db2.gz YCHRXTSUIULFIE-LPHOPBHVSA-N 2 2 320.477 3.235 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000337346532 253093560 /nfs/dbraw/zinc/09/35/60/253093560.db2.gz MIEFQXWDBUWXQU-UHFFFAOYSA-N 2 2 304.482 3.162 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000270314451 208386460 /nfs/dbraw/zinc/38/64/60/208386460.db2.gz JIQJNNLGSLTKEL-KRWDZBQOSA-N 2 2 306.413 3.404 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000270314451 208386465 /nfs/dbraw/zinc/38/64/65/208386465.db2.gz JIQJNNLGSLTKEL-KRWDZBQOSA-N 2 2 306.413 3.404 20 0 DGADLP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337900294 253191226 /nfs/dbraw/zinc/19/12/26/253191226.db2.gz PKKALKMQTGNLAZ-HHXXYDBFSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337900294 253191228 /nfs/dbraw/zinc/19/12/28/253191228.db2.gz PKKALKMQTGNLAZ-HHXXYDBFSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337900294 253191230 /nfs/dbraw/zinc/19/12/30/253191230.db2.gz PKKALKMQTGNLAZ-HHXXYDBFSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337900294 253191233 /nfs/dbraw/zinc/19/12/33/253191233.db2.gz PKKALKMQTGNLAZ-HHXXYDBFSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000338011844 253210459 /nfs/dbraw/zinc/21/04/59/253210459.db2.gz JDVCYXZNMIEORJ-CHWSQXEVSA-N 2 2 305.372 3.087 20 0 DGADLP COCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000337939899 253196185 /nfs/dbraw/zinc/19/61/85/253196185.db2.gz ACYRRNDESARPPH-OAHLLOKOSA-N 2 2 307.463 3.475 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC[C@H]3C3CCC3)[nH+]c2)C1 ZINC000337999242 253207153 /nfs/dbraw/zinc/20/71/53/253207153.db2.gz OPBGUBCKCDYKBE-FGTMMUONSA-N 2 2 314.477 3.213 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000252710489 285104146 /nfs/dbraw/zinc/10/41/46/285104146.db2.gz GVGDAMYGOPYQFW-GXFFZTMASA-N 2 2 318.795 3.371 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000252710489 285104148 /nfs/dbraw/zinc/10/41/48/285104148.db2.gz GVGDAMYGOPYQFW-GXFFZTMASA-N 2 2 318.795 3.371 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000338157987 253233154 /nfs/dbraw/zinc/23/31/54/253233154.db2.gz NQHSAYCZQHQHHZ-UHFFFAOYSA-N 2 2 305.809 3.082 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000338287028 253257446 /nfs/dbraw/zinc/25/74/46/253257446.db2.gz CZNHXBKGMRLERU-ZDUSSCGKSA-N 2 2 319.478 3.296 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(-c2ccnn2C)c1 ZINC000338422232 253284927 /nfs/dbraw/zinc/28/49/27/253284927.db2.gz GONFQVYDSIKOAS-INIZCTEOSA-N 2 2 323.444 3.018 20 0 DGADLP CSCc1cnc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000339345678 253451473 /nfs/dbraw/zinc/45/14/73/253451473.db2.gz HZBPPWPSJIXIQL-ZDUSSCGKSA-N 2 2 313.536 3.360 20 0 DGADLP C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158067897 197240975 /nfs/dbraw/zinc/24/09/75/197240975.db2.gz DEBGOOMKTZFRTQ-RHSMWYFYSA-N 2 2 301.434 3.320 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1Oc1ccccc1 ZINC000342571027 254011039 /nfs/dbraw/zinc/01/10/39/254011039.db2.gz BPZQLTLPIYLWBY-DJIMGWMZSA-N 2 2 311.429 3.034 20 0 DGADLP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342930382 254076162 /nfs/dbraw/zinc/07/61/62/254076162.db2.gz UJDYBEBYNAQBRG-JKSUJKDBSA-N 2 2 301.434 3.360 20 0 DGADLP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342930382 254076165 /nfs/dbraw/zinc/07/61/65/254076165.db2.gz UJDYBEBYNAQBRG-JKSUJKDBSA-N 2 2 301.434 3.360 20 0 DGADLP CCC[C@@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000342941719 254078157 /nfs/dbraw/zinc/07/81/57/254078157.db2.gz KMQKJWSLXJWNLG-SFHVURJKSA-N 2 2 312.461 3.111 20 0 DGADLP c1sc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756920 254043991 /nfs/dbraw/zinc/04/39/91/254043991.db2.gz UGGRPEBFAFXVSR-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756920 254043994 /nfs/dbraw/zinc/04/39/94/254043994.db2.gz UGGRPEBFAFXVSR-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756920 254043999 /nfs/dbraw/zinc/04/39/99/254043999.db2.gz UGGRPEBFAFXVSR-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756920 254044001 /nfs/dbraw/zinc/04/40/01/254044001.db2.gz UGGRPEBFAFXVSR-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777674 254047574 /nfs/dbraw/zinc/04/75/74/254047574.db2.gz IARKFGDKRSLGGW-HOCLYGCPSA-N 2 2 304.482 3.079 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777674 254047575 /nfs/dbraw/zinc/04/75/75/254047575.db2.gz IARKFGDKRSLGGW-HOCLYGCPSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777674 254047576 /nfs/dbraw/zinc/04/75/76/254047576.db2.gz IARKFGDKRSLGGW-HOCLYGCPSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777674 254047578 /nfs/dbraw/zinc/04/75/78/254047578.db2.gz IARKFGDKRSLGGW-HOCLYGCPSA-N 2 2 304.482 3.079 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1cccs1 ZINC000342802478 254054378 /nfs/dbraw/zinc/05/43/78/254054378.db2.gz MXBWMZQJYWWPMF-OAHLLOKOSA-N 2 2 324.490 3.206 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000342803305 254054681 /nfs/dbraw/zinc/05/46/81/254054681.db2.gz WZDBOXMRVMCSMV-HNNXBMFYSA-N 2 2 312.498 3.208 20 0 DGADLP Fc1cccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000343596218 254165612 /nfs/dbraw/zinc/16/56/12/254165612.db2.gz CJXHEQGNXWOGKW-HNNXBMFYSA-N 2 2 304.340 3.056 20 0 DGADLP Fc1cccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000343596218 254165614 /nfs/dbraw/zinc/16/56/14/254165614.db2.gz CJXHEQGNXWOGKW-HNNXBMFYSA-N 2 2 304.340 3.056 20 0 DGADLP CC[N@H+](CCC1CC[NH+](CCCn2cc[nH+]c2)CC1)CC(C)C ZINC000343566559 254161846 /nfs/dbraw/zinc/16/18/46/254161846.db2.gz UCXOUNINWPJEGL-UHFFFAOYSA-N 3 2 320.525 3.353 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](CCCn2cc[nH+]c2)CC1)CC(C)C ZINC000343566559 254161848 /nfs/dbraw/zinc/16/18/48/254161848.db2.gz UCXOUNINWPJEGL-UHFFFAOYSA-N 3 2 320.525 3.353 20 0 DGADLP CC[N@@H+]1CCO[C@H](CNc2cccc(C)[nH+]2)[C@H]1c1ccccc1 ZINC000343319812 254126805 /nfs/dbraw/zinc/12/68/05/254126805.db2.gz JZYRVQLQZIBBFK-IEBWSBKVSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@H](CNc2cccc(C)[nH+]2)[C@H]1c1ccccc1 ZINC000343319812 254126807 /nfs/dbraw/zinc/12/68/07/254126807.db2.gz JZYRVQLQZIBBFK-IEBWSBKVSA-N 2 2 311.429 3.264 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)CCS2 ZINC000343461003 254147006 /nfs/dbraw/zinc/14/70/06/254147006.db2.gz JLVGUGACLSYJTJ-DAXOMENPSA-N 2 2 306.475 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)CCS2 ZINC000343461003 254147008 /nfs/dbraw/zinc/14/70/08/254147008.db2.gz JLVGUGACLSYJTJ-DAXOMENPSA-N 2 2 306.475 3.304 20 0 DGADLP C[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344124971 254229125 /nfs/dbraw/zinc/22/91/25/254229125.db2.gz HSWHLAVSOHAJSG-DLBZAZTESA-N 2 2 301.478 3.462 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CCCCNc2cccc[nH+]2)C[C@@H]1OC ZINC000344169666 254234783 /nfs/dbraw/zinc/23/47/83/254234783.db2.gz MCPXCNUNSKAENO-CVEARBPZSA-N 2 2 305.466 3.457 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000344303942 254253297 /nfs/dbraw/zinc/25/32/97/254253297.db2.gz MLHPYBFXSYNWKD-QRQLOZEOSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344303942 254253299 /nfs/dbraw/zinc/25/32/99/254253299.db2.gz MLHPYBFXSYNWKD-QRQLOZEOSA-N 2 2 316.489 3.036 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000344635529 254291212 /nfs/dbraw/zinc/29/12/12/254291212.db2.gz UENHACDJHJQARL-YPMHNXCESA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000344635529 254291214 /nfs/dbraw/zinc/29/12/14/254291214.db2.gz UENHACDJHJQARL-YPMHNXCESA-N 2 2 307.488 3.444 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)s2)o1 ZINC000344660361 254293828 /nfs/dbraw/zinc/29/38/28/254293828.db2.gz DNIQYTACJQCNPP-YPMHNXCESA-N 2 2 305.447 3.284 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)s2)o1 ZINC000344660361 254293829 /nfs/dbraw/zinc/29/38/29/254293829.db2.gz DNIQYTACJQCNPP-YPMHNXCESA-N 2 2 305.447 3.284 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000344664897 254294209 /nfs/dbraw/zinc/29/42/09/254294209.db2.gz IZHNEYSHMHERLQ-PKOBYXMFSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664897 254294210 /nfs/dbraw/zinc/29/42/10/254294210.db2.gz IZHNEYSHMHERLQ-PKOBYXMFSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664897 254294212 /nfs/dbraw/zinc/29/42/12/254294212.db2.gz IZHNEYSHMHERLQ-PKOBYXMFSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c[nH+]1 ZINC000344828067 254308887 /nfs/dbraw/zinc/30/88/87/254308887.db2.gz MJOXKHWZONVKJO-INIZCTEOSA-N 2 2 312.417 3.073 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c[nH+]1 ZINC000344828067 254308889 /nfs/dbraw/zinc/30/88/89/254308889.db2.gz MJOXKHWZONVKJO-INIZCTEOSA-N 2 2 312.417 3.073 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000120696449 195217970 /nfs/dbraw/zinc/21/79/70/195217970.db2.gz OCUVRNGMQKYGET-KRWDZBQOSA-N 2 2 324.428 3.176 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000120850194 195249949 /nfs/dbraw/zinc/24/99/49/195249949.db2.gz QAMDWYHMEKEGIG-APWZRJJASA-N 2 2 302.462 3.187 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000289472662 221000772 /nfs/dbraw/zinc/00/07/72/221000772.db2.gz XDKYDBWXHWUMBK-MRXNPFEDSA-N 2 2 304.434 3.191 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000289497802 221018751 /nfs/dbraw/zinc/01/87/51/221018751.db2.gz DCUVFHUZCCORMG-HNNXBMFYSA-N 2 2 303.837 3.323 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000289497802 221018753 /nfs/dbraw/zinc/01/87/53/221018753.db2.gz DCUVFHUZCCORMG-HNNXBMFYSA-N 2 2 303.837 3.323 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000289579549 221082240 /nfs/dbraw/zinc/08/22/40/221082240.db2.gz DTLPEHXBODBXRE-QGZVFWFLSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000289628171 221112980 /nfs/dbraw/zinc/11/29/80/221112980.db2.gz WSQPZWKNXVAYIK-UHFFFAOYSA-N 2 2 307.344 3.109 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]CCCc1c[nH+]ccc1C)C(C)C ZINC000289701193 221165094 /nfs/dbraw/zinc/16/50/94/221165094.db2.gz NOAXZQBRKHCPMF-SFHVURJKSA-N 2 2 306.450 3.280 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000289768548 221212243 /nfs/dbraw/zinc/21/22/43/221212243.db2.gz GGHHOEBNEWNTTD-NSHDSACASA-N 2 2 313.323 3.033 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451030 285358172 /nfs/dbraw/zinc/35/81/72/285358172.db2.gz VQNDOYPGDOYEKO-WMLDXEAASA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451030 285358173 /nfs/dbraw/zinc/35/81/73/285358173.db2.gz VQNDOYPGDOYEKO-WMLDXEAASA-N 2 2 320.477 3.017 20 0 DGADLP COC[C@]1(C[NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CCC[NH2+]1 ZINC000423415800 533237724 /nfs/dbraw/zinc/23/77/24/533237724.db2.gz PLJZPOKXVAHHJP-IPMKNSEASA-N 2 2 302.462 3.229 20 0 DGADLP COc1ccc2oc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2c1 ZINC000435371999 533354609 /nfs/dbraw/zinc/35/46/09/533354609.db2.gz PTLSYHXMUNTEMD-UHFFFAOYSA-N 2 2 314.429 3.405 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422800365 533446475 /nfs/dbraw/zinc/44/64/75/533446475.db2.gz ZXLOVDQNDWAQBP-BXUZGUMPSA-N 2 2 302.340 3.205 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292857502 533568160 /nfs/dbraw/zinc/56/81/60/533568160.db2.gz CFWVURCQXMASJS-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292857502 533568163 /nfs/dbraw/zinc/56/81/63/533568163.db2.gz CFWVURCQXMASJS-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000292857502 533568170 /nfs/dbraw/zinc/56/81/70/533568170.db2.gz CFWVURCQXMASJS-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000292857502 533568172 /nfs/dbraw/zinc/56/81/72/533568172.db2.gz CFWVURCQXMASJS-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163916039 132125606 /nfs/dbraw/zinc/12/56/06/132125606.db2.gz WEPBCPFAFUYULQ-WCQYABFASA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163916039 132125607 /nfs/dbraw/zinc/12/56/07/132125607.db2.gz WEPBCPFAFUYULQ-WCQYABFASA-N 2 2 305.447 3.128 20 0 DGADLP COC1(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CCCCC1 ZINC000319200779 292121794 /nfs/dbraw/zinc/12/17/94/292121794.db2.gz PYGRPCTYNSNEDB-KRWDZBQOSA-N 2 2 304.478 3.446 20 0 DGADLP COC1(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000319200779 292121795 /nfs/dbraw/zinc/12/17/95/292121795.db2.gz PYGRPCTYNSNEDB-KRWDZBQOSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572558 400094035 /nfs/dbraw/zinc/09/40/35/400094035.db2.gz IZHSOOOAFJTTIB-DZGCQCFKSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572558 400094039 /nfs/dbraw/zinc/09/40/39/400094039.db2.gz IZHSOOOAFJTTIB-DZGCQCFKSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572558 400094045 /nfs/dbraw/zinc/09/40/45/400094045.db2.gz IZHSOOOAFJTTIB-DZGCQCFKSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572558 400094049 /nfs/dbraw/zinc/09/40/49/400094049.db2.gz IZHSOOOAFJTTIB-DZGCQCFKSA-N 2 2 322.449 3.099 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043120 400149861 /nfs/dbraw/zinc/14/98/61/400149861.db2.gz JPZLDTLSVSMAPF-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043120 400149865 /nfs/dbraw/zinc/14/98/65/400149865.db2.gz JPZLDTLSVSMAPF-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043120 400149870 /nfs/dbraw/zinc/14/98/70/400149870.db2.gz JPZLDTLSVSMAPF-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043120 400149874 /nfs/dbraw/zinc/14/98/74/400149874.db2.gz JPZLDTLSVSMAPF-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000067967107 400219827 /nfs/dbraw/zinc/21/98/27/400219827.db2.gz IDBFOWABYQMZCO-UHFFFAOYSA-N 2 2 302.462 3.439 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cn1 ZINC000092737750 400198739 /nfs/dbraw/zinc/19/87/39/400198739.db2.gz QSOJOESLGXICJM-HNNXBMFYSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(F)cn1 ZINC000092737750 400198745 /nfs/dbraw/zinc/19/87/45/400198745.db2.gz QSOJOESLGXICJM-HNNXBMFYSA-N 2 2 313.420 3.320 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000390945304 400274041 /nfs/dbraw/zinc/27/40/41/400274041.db2.gz MJGIXZCLTWKLMM-IRXDYDNUSA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000390945304 400274044 /nfs/dbraw/zinc/27/40/44/400274044.db2.gz MJGIXZCLTWKLMM-IRXDYDNUSA-N 2 2 318.461 3.119 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000589633189 400311793 /nfs/dbraw/zinc/31/17/93/400311793.db2.gz AMWDHSOFJCOCED-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589640983 400314738 /nfs/dbraw/zinc/31/47/38/400314738.db2.gz BAOWGAXUUHLYHY-HZPDHXFCSA-N 2 2 314.477 3.031 20 0 DGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000030655449 400331544 /nfs/dbraw/zinc/33/15/44/400331544.db2.gz YGKNENLJWMNAOI-BBRMVZONSA-N 2 2 308.385 3.274 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCC2 ZINC000596648546 400470810 /nfs/dbraw/zinc/47/08/10/400470810.db2.gz REMXEIVSHCYUCZ-ZDUSSCGKSA-N 2 2 320.433 3.003 20 0 DGADLP Brc1ccsc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000045107020 400512080 /nfs/dbraw/zinc/51/20/80/400512080.db2.gz ZXKXXBNVDOPKGD-UHFFFAOYSA-N 2 2 314.252 3.277 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000597072304 400551123 /nfs/dbraw/zinc/55/11/23/400551123.db2.gz RACSHGYTOAWKBG-CYBMUJFWSA-N 2 2 314.414 3.437 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)c1 ZINC000597072304 400551125 /nfs/dbraw/zinc/55/11/25/400551125.db2.gz RACSHGYTOAWKBG-CYBMUJFWSA-N 2 2 314.414 3.437 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591868824 400567947 /nfs/dbraw/zinc/56/79/47/400567947.db2.gz GCQOSVXFPOOHFE-AWEZNQCLSA-N 2 2 307.344 3.322 20 0 DGADLP CCC(C)(C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603937860 400735314 /nfs/dbraw/zinc/73/53/14/400735314.db2.gz NUPYVLNCKQQDDU-OAHLLOKOSA-N 2 2 303.450 3.134 20 0 DGADLP CCC(C)(C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603937860 400735319 /nfs/dbraw/zinc/73/53/19/400735319.db2.gz NUPYVLNCKQQDDU-OAHLLOKOSA-N 2 2 303.450 3.134 20 0 DGADLP CCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051351795 400700260 /nfs/dbraw/zinc/70/02/60/400700260.db2.gz ZOMLLXXJOURGDE-CVEARBPZSA-N 2 2 303.450 3.134 20 0 DGADLP CCC[C@@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051351795 400700263 /nfs/dbraw/zinc/70/02/63/400700263.db2.gz ZOMLLXXJOURGDE-CVEARBPZSA-N 2 2 303.450 3.134 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)c3ccccc3)CC2)c1 ZINC000604885464 400812657 /nfs/dbraw/zinc/81/26/57/400812657.db2.gz RGHDYMCNLYAGOT-INIZCTEOSA-N 2 2 311.429 3.016 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389649 400772187 /nfs/dbraw/zinc/77/21/87/400772187.db2.gz MSYSYQIAPFOBMI-QAPCUYQASA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389649 400772195 /nfs/dbraw/zinc/77/21/95/400772195.db2.gz MSYSYQIAPFOBMI-QAPCUYQASA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358146788 285982037 /nfs/dbraw/zinc/98/20/37/285982037.db2.gz CANIDOMQYHMDSS-MDZRGWNJSA-N 2 2 302.462 3.325 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000358146787 285982084 /nfs/dbraw/zinc/98/20/84/285982084.db2.gz CANIDOMQYHMDSS-GPMSIDNRSA-N 2 2 302.462 3.325 20 0 DGADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063357 400945207 /nfs/dbraw/zinc/94/52/07/400945207.db2.gz BOSVJWJNWVNIPC-NVXWUHKLSA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599063357 400945211 /nfs/dbraw/zinc/94/52/11/400945211.db2.gz BOSVJWJNWVNIPC-NVXWUHKLSA-N 2 2 324.509 3.351 20 0 DGADLP CCC[C@H](C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)OCC ZINC000629514074 400952215 /nfs/dbraw/zinc/95/22/15/400952215.db2.gz IYEGCKIDLIBRGQ-CEXWTWQISA-N 2 2 320.477 3.283 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835213 400913784 /nfs/dbraw/zinc/91/37/84/400913784.db2.gz WVGVGYFKTSVFMU-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835213 400913787 /nfs/dbraw/zinc/91/37/87/400913787.db2.gz WVGVGYFKTSVFMU-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000629651556 401018678 /nfs/dbraw/zinc/01/86/78/401018678.db2.gz SZISVPBFDOMQAJ-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000629651556 401018686 /nfs/dbraw/zinc/01/86/86/401018686.db2.gz SZISVPBFDOMQAJ-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP Cc1ccccc1-c1noc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000599186500 400990916 /nfs/dbraw/zinc/99/09/16/400990916.db2.gz TUBNDBGEKNJTJA-UHFFFAOYSA-N 2 2 323.400 3.079 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2c1OCO2 ZINC000080933869 401001541 /nfs/dbraw/zinc/00/15/41/401001541.db2.gz IFIXKUMNPQEPIA-LBPRGKRZSA-N 2 2 319.792 3.171 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2c1OCO2 ZINC000080933869 401001546 /nfs/dbraw/zinc/00/15/46/401001546.db2.gz IFIXKUMNPQEPIA-LBPRGKRZSA-N 2 2 319.792 3.171 20 0 DGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959349 401008446 /nfs/dbraw/zinc/00/84/46/401008446.db2.gz RKLOQPAIJQIQAL-CQSZACIVSA-N 2 2 322.412 3.262 20 0 DGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959349 401008453 /nfs/dbraw/zinc/00/84/53/401008453.db2.gz RKLOQPAIJQIQAL-CQSZACIVSA-N 2 2 322.412 3.262 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C[NH2+]1 ZINC000629536757 400965318 /nfs/dbraw/zinc/96/53/18/400965318.db2.gz HMYVELNQEZXEBW-JRPNMDOOSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C[NH2+]1 ZINC000629542277 400967239 /nfs/dbraw/zinc/96/72/39/400967239.db2.gz CTCMAQHZCCCUCE-YVLXSGLVSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000629541194 400967950 /nfs/dbraw/zinc/96/79/50/400967950.db2.gz WWXVINFGMDCAGR-YPMHNXCESA-N 2 2 301.356 3.050 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000629541194 400967955 /nfs/dbraw/zinc/96/79/55/400967955.db2.gz WWXVINFGMDCAGR-YPMHNXCESA-N 2 2 301.356 3.050 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563192 400977205 /nfs/dbraw/zinc/97/72/05/400977205.db2.gz FXYACVZLBVCEON-RYUDHWBXSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563192 400977207 /nfs/dbraw/zinc/97/72/07/400977207.db2.gz FXYACVZLBVCEON-RYUDHWBXSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563188 400977762 /nfs/dbraw/zinc/97/77/62/400977762.db2.gz FXYACVZLBVCEON-NEPJUHHUSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563188 400977767 /nfs/dbraw/zinc/97/77/67/400977767.db2.gz FXYACVZLBVCEON-NEPJUHHUSA-N 2 2 306.759 3.299 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629568148 400980128 /nfs/dbraw/zinc/98/01/28/400980128.db2.gz RTVWJSYMUIWHAT-GXTWGEPZSA-N 2 2 318.408 3.368 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629568148 400980131 /nfs/dbraw/zinc/98/01/31/400980131.db2.gz RTVWJSYMUIWHAT-GXTWGEPZSA-N 2 2 318.408 3.368 20 0 DGADLP c1cc([C@H]2COCC[NH2+]2)ccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000629710334 401054249 /nfs/dbraw/zinc/05/42/49/401054249.db2.gz QOUAIRTZNFXIKW-GOSISDBHSA-N 2 2 309.413 3.010 20 0 DGADLP COc1ccc(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)c(C)c1 ZINC000629732936 401062506 /nfs/dbraw/zinc/06/25/06/401062506.db2.gz URNGLQURGWKFSM-UHFFFAOYSA-N 2 2 322.412 3.186 20 0 DGADLP CCc1ncc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000084013965 401126286 /nfs/dbraw/zinc/12/62/86/401126286.db2.gz UEFQSSHSGVFOOY-UHFFFAOYSA-N 2 2 312.442 3.240 20 0 DGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625543650 401153142 /nfs/dbraw/zinc/15/31/42/401153142.db2.gz CUIBQBGTRQDZIE-INIZCTEOSA-N 2 2 314.473 3.033 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625552848 401155088 /nfs/dbraw/zinc/15/50/88/401155088.db2.gz AAWOCXQCBCUSOX-UHFFFAOYSA-N 2 2 316.489 3.281 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000594748797 401168443 /nfs/dbraw/zinc/16/84/43/401168443.db2.gz MVKQZKYZQBKUGQ-MRXNPFEDSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000594748797 401168445 /nfs/dbraw/zinc/16/84/45/401168445.db2.gz MVKQZKYZQBKUGQ-MRXNPFEDSA-N 2 2 323.868 3.131 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257702 286013062 /nfs/dbraw/zinc/01/30/62/286013062.db2.gz SHXVYAZVSHFJBQ-IFXJQAMLSA-N 2 2 316.445 3.021 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257702 286013063 /nfs/dbraw/zinc/01/30/63/286013063.db2.gz SHXVYAZVSHFJBQ-IFXJQAMLSA-N 2 2 316.445 3.021 20 0 DGADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258247 286013353 /nfs/dbraw/zinc/01/33/53/286013353.db2.gz SOUFGRGSVUVRLV-GJZGRUSLSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258247 286013354 /nfs/dbraw/zinc/01/33/54/286013354.db2.gz SOUFGRGSVUVRLV-GJZGRUSLSA-N 2 2 317.260 3.101 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000493907974 286024472 /nfs/dbraw/zinc/02/44/72/286024472.db2.gz QDSQUSLCONFDKH-PXNSSMCTSA-N 2 2 312.457 3.484 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000493907974 286024473 /nfs/dbraw/zinc/02/44/73/286024473.db2.gz QDSQUSLCONFDKH-PXNSSMCTSA-N 2 2 312.457 3.484 20 0 DGADLP FC1(F)CCC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000358314005 286029035 /nfs/dbraw/zinc/02/90/35/286029035.db2.gz DVNQLFDTVDDXRX-INIZCTEOSA-N 2 2 309.404 3.214 20 0 DGADLP CCSC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000594986504 401219653 /nfs/dbraw/zinc/21/96/53/401219653.db2.gz CYNDKBRYYAUKHJ-UHFFFAOYSA-N 2 2 310.429 3.279 20 0 DGADLP CSc1ccccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960314 401265642 /nfs/dbraw/zinc/26/56/42/401265642.db2.gz FYPIVJNKULWYLT-UHFFFAOYSA-N 2 2 320.502 3.095 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090772319 401272757 /nfs/dbraw/zinc/27/27/57/401272757.db2.gz HXNHGAHWUYYAQT-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090772319 401272759 /nfs/dbraw/zinc/27/27/59/401272759.db2.gz HXNHGAHWUYYAQT-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP FC1(F)CCC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000358364064 286042360 /nfs/dbraw/zinc/04/23/60/286042360.db2.gz HBDWSNLRIOLFQB-UHFFFAOYSA-N 2 2 309.404 3.214 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000090046609 401250008 /nfs/dbraw/zinc/25/00/08/401250008.db2.gz XTIFEFYGDPUOQI-VQIMIIECSA-N 2 2 302.462 3.155 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000090047263 401250228 /nfs/dbraw/zinc/25/02/28/401250228.db2.gz BFESUSHOLJGHSA-RHSMWYFYSA-N 2 2 310.869 3.492 20 0 DGADLP CC(C)CSCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358351169 286039402 /nfs/dbraw/zinc/03/94/02/286039402.db2.gz LBQGJWDHSWCMSX-UHFFFAOYSA-N 2 2 307.507 3.025 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000634678161 401331083 /nfs/dbraw/zinc/33/10/83/401331083.db2.gz KTQUWZQWLYDPRY-RTBURBONSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000634678161 401331087 /nfs/dbraw/zinc/33/10/87/401331087.db2.gz KTQUWZQWLYDPRY-RTBURBONSA-N 2 2 316.489 3.371 20 0 DGADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000634682972 401333844 /nfs/dbraw/zinc/33/38/44/401333844.db2.gz GHEWCSXKTOHSDB-CXAGYDPISA-N 2 2 305.372 3.463 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)s2)cc1 ZINC000622003710 401334984 /nfs/dbraw/zinc/33/49/84/401334984.db2.gz DTFXXYWTUIEFRO-YJBOKZPZSA-N 2 2 313.470 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)s2)cc1 ZINC000622003710 401334988 /nfs/dbraw/zinc/33/49/88/401334988.db2.gz DTFXXYWTUIEFRO-YJBOKZPZSA-N 2 2 313.470 3.432 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004178 401335154 /nfs/dbraw/zinc/33/51/54/401335154.db2.gz LPNDIPYFRAIXGG-ICSRJNTNSA-N 2 2 323.440 3.070 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004178 401335159 /nfs/dbraw/zinc/33/51/59/401335159.db2.gz LPNDIPYFRAIXGG-ICSRJNTNSA-N 2 2 323.440 3.070 20 0 DGADLP c1csc(-c2ncc(C[NH2+][C@]34CCC[C@@H]3C[NH2+]C4)s2)c1 ZINC000634734118 401341540 /nfs/dbraw/zinc/34/15/40/401341540.db2.gz XHUKMWQHPPCSSV-ABAIWWIYSA-N 2 2 305.472 3.103 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781559 401298885 /nfs/dbraw/zinc/29/88/85/401298885.db2.gz GHCLOEFGSQRTGT-SUMWQHHRSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781559 401298887 /nfs/dbraw/zinc/29/88/87/401298887.db2.gz GHCLOEFGSQRTGT-SUMWQHHRSA-N 2 2 301.821 3.201 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000631044292 401377103 /nfs/dbraw/zinc/37/71/03/401377103.db2.gz IZPBCXBMASOTRQ-KBPBESRZSA-N 2 2 324.852 3.074 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000631044292 401377105 /nfs/dbraw/zinc/37/71/05/401377105.db2.gz IZPBCXBMASOTRQ-KBPBESRZSA-N 2 2 324.852 3.074 20 0 DGADLP O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635138372 401414694 /nfs/dbraw/zinc/41/46/94/401414694.db2.gz XAIYPPIOBWWKOD-KRWDZBQOSA-N 2 2 310.401 3.032 20 0 DGADLP O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635138372 401414696 /nfs/dbraw/zinc/41/46/96/401414696.db2.gz XAIYPPIOBWWKOD-KRWDZBQOSA-N 2 2 310.401 3.032 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195061 401422757 /nfs/dbraw/zinc/42/27/57/401422757.db2.gz AZOGGQIXQYVQAI-NVXWUHKLSA-N 2 2 313.445 3.095 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195061 401422762 /nfs/dbraw/zinc/42/27/62/401422762.db2.gz AZOGGQIXQYVQAI-NVXWUHKLSA-N 2 2 313.445 3.095 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cscn1 ZINC000631197447 401424811 /nfs/dbraw/zinc/42/48/11/401424811.db2.gz ZHFIOEOQZIEODH-ZBFHGGJFSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cscn1 ZINC000631197447 401424813 /nfs/dbraw/zinc/42/48/13/401424813.db2.gz ZHFIOEOQZIEODH-ZBFHGGJFSA-N 2 2 301.459 3.001 20 0 DGADLP Cc1cn2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cc2[nH+]1 ZINC000635651011 401468092 /nfs/dbraw/zinc/46/80/92/401468092.db2.gz GUZQRVMBEWPJQT-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@@H+]1CCc2ccccc2C1 ZINC000623348131 401496509 /nfs/dbraw/zinc/49/65/09/401496509.db2.gz SKDWPNHURNBQDR-OAHLLOKOSA-N 2 2 320.440 3.099 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@H+]1CCc2ccccc2C1 ZINC000623348131 401496512 /nfs/dbraw/zinc/49/65/12/401496512.db2.gz SKDWPNHURNBQDR-OAHLLOKOSA-N 2 2 320.440 3.099 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@@H+]1CCc2ccccc2C1 ZINC000623348130 401496628 /nfs/dbraw/zinc/49/66/28/401496628.db2.gz SKDWPNHURNBQDR-HNNXBMFYSA-N 2 2 320.440 3.099 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@H+]1CCc2ccccc2C1 ZINC000623348130 401496631 /nfs/dbraw/zinc/49/66/31/401496631.db2.gz SKDWPNHURNBQDR-HNNXBMFYSA-N 2 2 320.440 3.099 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000623360959 401500589 /nfs/dbraw/zinc/50/05/89/401500589.db2.gz HSIIYLDULWBNSX-GHMZBOCLSA-N 2 2 300.780 3.335 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000623360959 401500592 /nfs/dbraw/zinc/50/05/92/401500592.db2.gz HSIIYLDULWBNSX-GHMZBOCLSA-N 2 2 300.780 3.335 20 0 DGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(OC)c1OC ZINC000631572135 401501460 /nfs/dbraw/zinc/50/14/60/401501460.db2.gz NQWMCRAJDMCEBA-INIZCTEOSA-N 2 2 317.433 3.421 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403297 401509696 /nfs/dbraw/zinc/50/96/96/401509696.db2.gz QYBDCMXTTILZIA-YJBOKZPZSA-N 2 2 320.440 3.488 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403297 401509697 /nfs/dbraw/zinc/50/96/97/401509697.db2.gz QYBDCMXTTILZIA-YJBOKZPZSA-N 2 2 320.440 3.488 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649428 401523915 /nfs/dbraw/zinc/52/39/15/401523915.db2.gz WRBRWFXKJUHXEE-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649428 401523918 /nfs/dbraw/zinc/52/39/18/401523918.db2.gz WRBRWFXKJUHXEE-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000631661679 401528062 /nfs/dbraw/zinc/52/80/62/401528062.db2.gz BLDWPQMJZRDWHY-BHIYHBOVSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000631661679 401528064 /nfs/dbraw/zinc/52/80/64/401528064.db2.gz BLDWPQMJZRDWHY-BHIYHBOVSA-N 2 2 324.472 3.076 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623338715 401494372 /nfs/dbraw/zinc/49/43/72/401494372.db2.gz OQTCVFKUUZRJGW-UHFFFAOYSA-N 2 2 319.412 3.401 20 0 DGADLP Cc1[nH]c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH+]c1C ZINC000628272876 401565105 /nfs/dbraw/zinc/56/51/05/401565105.db2.gz ATDMZLHHNJVWPF-FQEVSTJZSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1[nH]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH+]c1C ZINC000628272876 401565107 /nfs/dbraw/zinc/56/51/07/401565107.db2.gz ATDMZLHHNJVWPF-FQEVSTJZSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1[nH]c(CN(Cc2ccccc2)C2CC[NH+](C)CC2)[nH+]c1C ZINC000628280732 401566241 /nfs/dbraw/zinc/56/62/41/401566241.db2.gz DYXHDQSVDJXJEX-UHFFFAOYSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)[nH+]1 ZINC000628323904 401576559 /nfs/dbraw/zinc/57/65/59/401576559.db2.gz TVTDNUHIVYFALJ-GVDBMIGSSA-N 2 2 312.461 3.201 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)[nH+]1 ZINC000628323904 401576561 /nfs/dbraw/zinc/57/65/61/401576561.db2.gz TVTDNUHIVYFALJ-GVDBMIGSSA-N 2 2 312.461 3.201 20 0 DGADLP COc1cccc([C@H](C[NH2+]CCCc2ccc(C)[nH+]c2)OC)c1 ZINC000628377174 401586100 /nfs/dbraw/zinc/58/61/00/401586100.db2.gz INFCIYNSOWKFRG-IBGZPJMESA-N 2 2 314.429 3.309 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1C(F)(F)F ZINC000623852157 401588203 /nfs/dbraw/zinc/58/82/03/401588203.db2.gz OCYRSXAACWQDMS-SNVBAGLBSA-N 2 2 301.287 3.392 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628199891 401549099 /nfs/dbraw/zinc/54/90/99/401549099.db2.gz NITGJWPNRFOHRX-UHFFFAOYSA-N 2 2 310.401 3.390 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575449 401549404 /nfs/dbraw/zinc/54/94/04/401549404.db2.gz AZSHFUHTQIAPNH-IRXDYDNUSA-N 2 2 324.472 3.322 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575449 401549406 /nfs/dbraw/zinc/54/94/06/401549406.db2.gz AZSHFUHTQIAPNH-IRXDYDNUSA-N 2 2 324.472 3.322 20 0 DGADLP FC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000631798650 401556056 /nfs/dbraw/zinc/55/60/56/401556056.db2.gz WXLRXLOELHWVBW-ZWKOTPCHSA-N 2 2 324.415 3.069 20 0 DGADLP C[C@H]([NH2+]Cc1cnc(C2CC2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000628237058 401557239 /nfs/dbraw/zinc/55/72/39/401557239.db2.gz ZRYCBOYEUKHLFG-DZGCQCFKSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@H]([NH2+]Cc1cnc(C2CC2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000628237058 401557240 /nfs/dbraw/zinc/55/72/40/401557240.db2.gz ZRYCBOYEUKHLFG-DZGCQCFKSA-N 2 2 303.450 3.295 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100839 401626038 /nfs/dbraw/zinc/62/60/38/401626038.db2.gz MSUHWLYKVLDVSB-DZGCQCFKSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100839 401626040 /nfs/dbraw/zinc/62/60/40/401626040.db2.gz MSUHWLYKVLDVSB-DZGCQCFKSA-N 2 2 323.868 3.049 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000494321884 292197465 /nfs/dbraw/zinc/19/74/65/292197465.db2.gz CGKHIEXCRCUVTN-SFHVURJKSA-N 2 2 304.478 3.394 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H]1C ZINC000358564878 286094943 /nfs/dbraw/zinc/09/49/43/286094943.db2.gz XUAWAUDQTVOVEP-JTDSTZFVSA-N 2 2 301.478 3.460 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358817411 286160812 /nfs/dbraw/zinc/16/08/12/286160812.db2.gz BZCJASZVHMEZDD-UYAOXDASSA-N 3 2 317.521 3.361 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358817411 286160813 /nfs/dbraw/zinc/16/08/13/286160813.db2.gz BZCJASZVHMEZDD-UYAOXDASSA-N 3 2 317.521 3.361 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358828554 286163702 /nfs/dbraw/zinc/16/37/02/286163702.db2.gz OTZMPCATBZNNQH-ICSRJNTNSA-N 2 2 315.505 3.115 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828554 286163703 /nfs/dbraw/zinc/16/37/03/286163703.db2.gz OTZMPCATBZNNQH-ICSRJNTNSA-N 2 2 315.505 3.115 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000359004456 286212276 /nfs/dbraw/zinc/21/22/76/286212276.db2.gz PQKUZSRJSVKKMF-FNHZYXHNSA-N 2 2 312.461 3.079 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359117272 286241025 /nfs/dbraw/zinc/24/10/25/286241025.db2.gz SHBDEQFVVBZTPE-MDNKFWRPSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359117272 286241027 /nfs/dbraw/zinc/24/10/27/286241027.db2.gz SHBDEQFVVBZTPE-MDNKFWRPSA-N 3 2 319.537 3.246 20 0 DGADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2[nH]c(=O)oc2c1 ZINC000359293724 286277052 /nfs/dbraw/zinc/27/70/52/286277052.db2.gz TZRQBBUSDIRQOS-INIZCTEOSA-N 2 2 314.389 3.107 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359298094 286278082 /nfs/dbraw/zinc/27/80/82/286278082.db2.gz YZMPQZRRXZVMKK-UHFFFAOYSA-N 2 2 320.440 3.289 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359298094 286278085 /nfs/dbraw/zinc/27/80/85/286278085.db2.gz YZMPQZRRXZVMKK-UHFFFAOYSA-N 2 2 320.440 3.289 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000359529990 286328109 /nfs/dbraw/zinc/32/81/09/286328109.db2.gz YYALLTHAWRVLIJ-IRXDYDNUSA-N 2 2 320.477 3.093 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359529990 286328110 /nfs/dbraw/zinc/32/81/10/286328110.db2.gz YYALLTHAWRVLIJ-IRXDYDNUSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000359551178 286333735 /nfs/dbraw/zinc/33/37/35/286333735.db2.gz JLDFYXNMDBFASA-KRWDZBQOSA-N 2 2 309.457 3.439 20 0 DGADLP COC1(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCCC1 ZINC000359673153 286358551 /nfs/dbraw/zinc/35/85/51/286358551.db2.gz CZVZVYQAOHHRAO-MRXNPFEDSA-N 2 2 317.477 3.156 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000359656870 286354977 /nfs/dbraw/zinc/35/49/77/286354977.db2.gz ITILWRSWZAZIOR-OAHLLOKOSA-N 2 2 317.477 3.211 20 0 DGADLP CC[C@@H](C[NH2+][C@H](COC)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000359662762 286356307 /nfs/dbraw/zinc/35/63/07/286356307.db2.gz KWMNFNOWGUSAGH-RBUKOAKNSA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@@H](C[NH2+][C@H](COC)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000359662762 286356309 /nfs/dbraw/zinc/35/63/09/286356309.db2.gz KWMNFNOWGUSAGH-RBUKOAKNSA-N 2 2 304.478 3.084 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)C[C@H](C)O1 ZINC000359663832 286356665 /nfs/dbraw/zinc/35/66/65/286356665.db2.gz OGCLOIQRMBXBAV-UXLLHSPISA-N 2 2 320.477 3.382 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)C[C@H](C)O1 ZINC000359663832 286356667 /nfs/dbraw/zinc/35/66/67/286356667.db2.gz OGCLOIQRMBXBAV-UXLLHSPISA-N 2 2 320.477 3.382 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000359680962 286359821 /nfs/dbraw/zinc/35/98/21/286359821.db2.gz RRCGNTLHEDWEQW-RVKKMQEKSA-N 2 2 308.441 3.366 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000359680962 286359823 /nfs/dbraw/zinc/35/98/23/286359823.db2.gz RRCGNTLHEDWEQW-RVKKMQEKSA-N 2 2 308.441 3.366 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCc3sccc32)C[C@@H](C)O1 ZINC000359682790 286360144 /nfs/dbraw/zinc/36/01/44/286360144.db2.gz WUNIJAVZOPNJIP-FMKPAKJESA-N 2 2 308.491 3.214 20 0 DGADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000359695115 286362714 /nfs/dbraw/zinc/36/27/14/286362714.db2.gz NFKQUBXTHCAXRC-IEBWSBKVSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000359695115 286362715 /nfs/dbraw/zinc/36/27/15/286362715.db2.gz NFKQUBXTHCAXRC-IEBWSBKVSA-N 2 2 309.457 3.390 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](Cc2ccccn2)c2ccccc2)C1 ZINC000359969315 286399158 /nfs/dbraw/zinc/39/91/58/286399158.db2.gz HAZQNZQUYFMJRD-PWIZWCRZSA-N 2 2 309.457 3.295 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](Cc2ccccn2)c2ccccc2)C1 ZINC000359969315 286399159 /nfs/dbraw/zinc/39/91/59/286399159.db2.gz HAZQNZQUYFMJRD-PWIZWCRZSA-N 2 2 309.457 3.295 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000471612295 286402177 /nfs/dbraw/zinc/40/21/77/286402177.db2.gz SFMGLZXEDOGPGF-BZZMCLGOSA-N 2 2 304.478 3.471 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1nccn1C ZINC000360791893 286535833 /nfs/dbraw/zinc/53/58/33/286535833.db2.gz IOKHSLHRBVIUOW-OAHLLOKOSA-N 2 2 304.482 3.115 20 0 DGADLP Cc1nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000360952880 286561149 /nfs/dbraw/zinc/56/11/49/286561149.db2.gz CGJSPDQUWMGVRB-UHFFFAOYSA-N 2 2 300.381 3.001 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000361232819 286629962 /nfs/dbraw/zinc/62/99/62/286629962.db2.gz PULXEMSWMYIIPN-HNAYVOBHSA-N 2 2 316.489 3.399 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2)[nH+]c1C ZINC000361702362 286716281 /nfs/dbraw/zinc/71/62/81/286716281.db2.gz VCDBJDSLBDPXKX-CQSZACIVSA-N 2 2 312.417 3.022 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000363758580 286954690 /nfs/dbraw/zinc/95/46/90/286954690.db2.gz RTHLLOIWVRERLL-PBHICJAKSA-N 2 2 313.445 3.298 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(F)cn2)[nH+]1 ZINC000364278267 287006542 /nfs/dbraw/zinc/00/65/42/287006542.db2.gz CKPCMFXVHRXQBJ-MRXNPFEDSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(F)cn2)[nH+]1 ZINC000364278267 287006544 /nfs/dbraw/zinc/00/65/44/287006544.db2.gz CKPCMFXVHRXQBJ-MRXNPFEDSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000364912227 287074604 /nfs/dbraw/zinc/07/46/04/287074604.db2.gz JNPYBJFDAROHJZ-PTSWNOGYSA-N 2 2 324.472 3.265 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000364912227 287074606 /nfs/dbraw/zinc/07/46/06/287074606.db2.gz JNPYBJFDAROHJZ-PTSWNOGYSA-N 2 2 324.472 3.265 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190700608 165212789 /nfs/dbraw/zinc/21/27/89/165212789.db2.gz MBYNOVZRRAWRIT-UHFFFAOYSA-N 2 2 312.461 3.084 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2nccn2-c2ccccc2)CCCC1 ZINC000191597047 165261267 /nfs/dbraw/zinc/26/12/67/165261267.db2.gz DQVMDBBQXHYHQX-UHFFFAOYSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000193124624 165318383 /nfs/dbraw/zinc/31/83/83/165318383.db2.gz NQPCSSGCVFQWEG-CRAIPNDOSA-N 2 2 301.478 3.460 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000193323072 165322760 /nfs/dbraw/zinc/32/27/60/165322760.db2.gz YITZNPDPJUJZIZ-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000193323072 165322761 /nfs/dbraw/zinc/32/27/61/165322761.db2.gz YITZNPDPJUJZIZ-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000194336712 165343073 /nfs/dbraw/zinc/34/30/73/165343073.db2.gz PLCHKGJMCAVSKY-DOTOQJQBSA-N 2 2 316.474 3.218 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000194336712 165343077 /nfs/dbraw/zinc/34/30/77/165343077.db2.gz PLCHKGJMCAVSKY-DOTOQJQBSA-N 2 2 316.474 3.218 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000216064515 165375566 /nfs/dbraw/zinc/37/55/66/165375566.db2.gz PTIFTTKALLENFL-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Br ZINC000216064515 165375569 /nfs/dbraw/zinc/37/55/69/165375569.db2.gz PTIFTTKALLENFL-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000218070013 165377871 /nfs/dbraw/zinc/37/78/71/165377871.db2.gz KTKVZZXLNDURRW-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000218070013 165377872 /nfs/dbraw/zinc/37/78/72/165377872.db2.gz KTKVZZXLNDURRW-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000221790952 165380154 /nfs/dbraw/zinc/38/01/54/165380154.db2.gz YVGLESJJSAFGPB-UHFFFAOYSA-N 2 2 304.356 3.405 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000221790952 165380157 /nfs/dbraw/zinc/38/01/57/165380157.db2.gz YVGLESJJSAFGPB-UHFFFAOYSA-N 2 2 304.356 3.405 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403246 287128287 /nfs/dbraw/zinc/12/82/87/287128287.db2.gz MJHPTEBWRLSLFM-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403246 287128288 /nfs/dbraw/zinc/12/82/88/287128288.db2.gz MJHPTEBWRLSLFM-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000365505230 287139395 /nfs/dbraw/zinc/13/93/95/287139395.db2.gz OPQQMVUPTAOVBP-SQNIBIBYSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000365505230 287139397 /nfs/dbraw/zinc/13/93/97/287139397.db2.gz OPQQMVUPTAOVBP-SQNIBIBYSA-N 2 2 313.489 3.118 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000365553629 287145587 /nfs/dbraw/zinc/14/55/87/287145587.db2.gz BIDBHDFXYFBDFE-CQSZACIVSA-N 2 2 317.458 3.489 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000365553629 287145589 /nfs/dbraw/zinc/14/55/89/287145589.db2.gz BIDBHDFXYFBDFE-CQSZACIVSA-N 2 2 317.458 3.489 20 0 DGADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631952 287156306 /nfs/dbraw/zinc/15/63/06/287156306.db2.gz RYGLPJLPFIKHRH-KRWDZBQOSA-N 2 2 311.429 3.181 20 0 DGADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631952 287156309 /nfs/dbraw/zinc/15/63/09/287156309.db2.gz RYGLPJLPFIKHRH-KRWDZBQOSA-N 2 2 311.429 3.181 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000365831500 287177224 /nfs/dbraw/zinc/17/72/24/287177224.db2.gz MHMHVDLHVYKHTR-INIZCTEOSA-N 2 2 315.465 3.023 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000365831500 287177225 /nfs/dbraw/zinc/17/72/25/287177225.db2.gz MHMHVDLHVYKHTR-INIZCTEOSA-N 2 2 315.465 3.023 20 0 DGADLP Fc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000129418976 196046800 /nfs/dbraw/zinc/04/68/00/196046800.db2.gz FXMQZUJMUAULPX-UHFFFAOYSA-N 2 2 301.287 3.221 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190490831 432162212 /nfs/dbraw/zinc/16/22/12/432162212.db2.gz HJBGFQFTMHEMFY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190490831 432162216 /nfs/dbraw/zinc/16/22/16/432162216.db2.gz HJBGFQFTMHEMFY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190490831 432162220 /nfs/dbraw/zinc/16/22/20/432162220.db2.gz HJBGFQFTMHEMFY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190490831 432162223 /nfs/dbraw/zinc/16/22/23/432162223.db2.gz HJBGFQFTMHEMFY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246712537 432156523 /nfs/dbraw/zinc/15/65/23/432156523.db2.gz CTCGQJIZOBDWIS-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246712537 432156525 /nfs/dbraw/zinc/15/65/25/432156525.db2.gz CTCGQJIZOBDWIS-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246712537 432156529 /nfs/dbraw/zinc/15/65/29/432156529.db2.gz CTCGQJIZOBDWIS-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246712537 432156538 /nfs/dbraw/zinc/15/65/38/432156538.db2.gz CTCGQJIZOBDWIS-GJZGRUSLSA-N 2 2 314.433 3.071 20 0 DGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182094335 432158201 /nfs/dbraw/zinc/15/82/01/432158201.db2.gz DNRSZJKGSCVBCT-QGZVFWFLSA-N 2 2 313.445 3.274 20 0 DGADLP CCOc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182094335 432158205 /nfs/dbraw/zinc/15/82/05/432158205.db2.gz DNRSZJKGSCVBCT-QGZVFWFLSA-N 2 2 313.445 3.274 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000246911389 432180401 /nfs/dbraw/zinc/18/04/01/432180401.db2.gz GGXNAFWSOXLMPK-OKYOBFRVSA-N 3 2 309.542 3.205 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000246911389 432180404 /nfs/dbraw/zinc/18/04/04/432180404.db2.gz GGXNAFWSOXLMPK-OKYOBFRVSA-N 3 2 309.542 3.205 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150777327 432192308 /nfs/dbraw/zinc/19/23/08/432192308.db2.gz VOGLWVDVMVMKFC-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150777327 432192312 /nfs/dbraw/zinc/19/23/12/432192312.db2.gz VOGLWVDVMVMKFC-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247073267 432199863 /nfs/dbraw/zinc/19/98/63/432199863.db2.gz OJNUAFKQJBBQLC-FCGDIQPGSA-N 3 2 309.542 3.061 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247073267 432199866 /nfs/dbraw/zinc/19/98/66/432199866.db2.gz OJNUAFKQJBBQLC-FCGDIQPGSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000247062494 432198185 /nfs/dbraw/zinc/19/81/85/432198185.db2.gz MOGSSJWQPMZQJI-NXHRZFHOSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000247062494 432198188 /nfs/dbraw/zinc/19/81/88/432198188.db2.gz MOGSSJWQPMZQJI-NXHRZFHOSA-N 2 2 319.518 3.167 20 0 DGADLP c1c(CC[NH2+]C2CCN(c3ccccc3)CC2)[nH+]c2ccccn12 ZINC000130631281 196097335 /nfs/dbraw/zinc/09/73/35/196097335.db2.gz GIUNNURZZTVZHS-UHFFFAOYSA-N 2 2 320.440 3.135 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131235280 196151810 /nfs/dbraw/zinc/15/18/10/196151810.db2.gz IQCXNBVJOIKWDJ-MRXNPFEDSA-N 2 2 313.445 3.274 20 0 DGADLP CCOc1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131235280 196151811 /nfs/dbraw/zinc/15/18/11/196151811.db2.gz IQCXNBVJOIKWDJ-MRXNPFEDSA-N 2 2 313.445 3.274 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000190981198 432208329 /nfs/dbraw/zinc/20/83/29/432208329.db2.gz DCQIECODQSODMQ-SQNIBIBYSA-N 2 2 306.494 3.427 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000190981198 432208333 /nfs/dbraw/zinc/20/83/33/432208333.db2.gz DCQIECODQSODMQ-SQNIBIBYSA-N 2 2 306.494 3.427 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000190981198 432208335 /nfs/dbraw/zinc/20/83/35/432208335.db2.gz DCQIECODQSODMQ-SQNIBIBYSA-N 2 2 306.494 3.427 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC2(CCCCC2)O1 ZINC000190981198 432208339 /nfs/dbraw/zinc/20/83/39/432208339.db2.gz DCQIECODQSODMQ-SQNIBIBYSA-N 2 2 306.494 3.427 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1OC ZINC000182617036 432210616 /nfs/dbraw/zinc/21/06/16/432210616.db2.gz NICLYSSCGYFPQI-MRXNPFEDSA-N 2 2 315.417 3.128 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1OC ZINC000182617036 432210620 /nfs/dbraw/zinc/21/06/20/432210620.db2.gz NICLYSSCGYFPQI-MRXNPFEDSA-N 2 2 315.417 3.128 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000132030101 196220127 /nfs/dbraw/zinc/22/01/27/196220127.db2.gz FNTHQWKTWQFABF-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000132030101 196220129 /nfs/dbraw/zinc/22/01/29/196220129.db2.gz FNTHQWKTWQFABF-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000295802627 225255271 /nfs/dbraw/zinc/25/52/71/225255271.db2.gz CGAACQAKIOCKLI-INIZCTEOSA-N 2 2 312.461 3.350 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1csc(-c2ccccc2F)n1 ZINC000291257410 222263602 /nfs/dbraw/zinc/26/36/02/222263602.db2.gz PRKYPJYYVJGHSD-LBPRGKRZSA-N 2 2 316.405 3.497 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)c1C ZINC000291260161 222265073 /nfs/dbraw/zinc/26/50/73/222265073.db2.gz SEVZDJKZXQHBGH-SFHVURJKSA-N 2 2 324.428 3.054 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)c1C ZINC000291260161 222265076 /nfs/dbraw/zinc/26/50/76/222265076.db2.gz SEVZDJKZXQHBGH-SFHVURJKSA-N 2 2 324.428 3.054 20 0 DGADLP CCC[C@@H](C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1)[NH+](C)C ZINC000291300681 222296595 /nfs/dbraw/zinc/29/65/95/222296595.db2.gz WRFIKHGZKOVTLQ-KRWDZBQOSA-N 2 2 314.433 3.158 20 0 DGADLP C[C@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)C[NH+](C)C ZINC000291626634 222513529 /nfs/dbraw/zinc/51/35/29/222513529.db2.gz ADDUHARUIAPWTD-CYBMUJFWSA-N 2 2 320.868 3.028 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000346314379 264008453 /nfs/dbraw/zinc/00/84/53/264008453.db2.gz GFERZHKYGOFBGN-ZTRSQXPZSA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000346314379 264008454 /nfs/dbraw/zinc/00/84/54/264008454.db2.gz GFERZHKYGOFBGN-ZTRSQXPZSA-N 2 2 302.462 3.197 20 0 DGADLP C[N@H+](CCc1ccccc1O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346368919 264020043 /nfs/dbraw/zinc/02/00/43/264020043.db2.gz IVTNLCFUDRPQJB-UHFFFAOYSA-N 2 2 313.426 3.314 20 0 DGADLP C[N@@H+](CCc1ccccc1O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346368919 264020046 /nfs/dbraw/zinc/02/00/46/264020046.db2.gz IVTNLCFUDRPQJB-UHFFFAOYSA-N 2 2 313.426 3.314 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000346449941 264033907 /nfs/dbraw/zinc/03/39/07/264033907.db2.gz DLLXKZRQFPEUKW-LZQZEXGQSA-N 2 2 320.477 3.235 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000346449939 264033974 /nfs/dbraw/zinc/03/39/74/264033974.db2.gz DLLXKZRQFPEUKW-IPELMVKDSA-N 2 2 320.477 3.235 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000346465828 264036892 /nfs/dbraw/zinc/03/68/92/264036892.db2.gz RQTBEGWXQWPBNI-FFZOFVMBSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000346465828 264036897 /nfs/dbraw/zinc/03/68/97/264036897.db2.gz RQTBEGWXQWPBNI-FFZOFVMBSA-N 2 2 316.489 3.226 20 0 DGADLP C[NH+](C)C1(CNc2cc(N3CCCCC3)[nH+]cn2)CCCCC1 ZINC000346619643 264066970 /nfs/dbraw/zinc/06/69/70/264066970.db2.gz NDKOBQTWHMWVBT-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000346673028 264077585 /nfs/dbraw/zinc/07/75/85/264077585.db2.gz RLAREIQWWNEPOE-DZGCQCFKSA-N 2 2 314.424 3.268 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346693891 264081744 /nfs/dbraw/zinc/08/17/44/264081744.db2.gz QKPOBHSNMFCPFS-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346693891 264081747 /nfs/dbraw/zinc/08/17/47/264081747.db2.gz QKPOBHSNMFCPFS-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1OC ZINC000346801737 264100618 /nfs/dbraw/zinc/10/06/18/264100618.db2.gz CFOAOHIXGKCHJA-SQWLQELKSA-N 2 2 306.450 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1OC ZINC000346801737 264100620 /nfs/dbraw/zinc/10/06/20/264100620.db2.gz CFOAOHIXGKCHJA-SQWLQELKSA-N 2 2 306.450 3.146 20 0 DGADLP Clc1ccc([C@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346962954 264128009 /nfs/dbraw/zinc/12/80/09/264128009.db2.gz AFSMBHMTDNEOQE-CZUORRHYSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346962954 264128011 /nfs/dbraw/zinc/12/80/11/264128011.db2.gz AFSMBHMTDNEOQE-CZUORRHYSA-N 2 2 310.894 3.430 20 0 DGADLP CCOc1cc(C[NH+]2CCC([NH2+]C)CC2)ccc1OCC(C)C ZINC000347001832 264136680 /nfs/dbraw/zinc/13/66/80/264136680.db2.gz IHXBGKFOAIMXIQ-UHFFFAOYSA-N 2 2 320.477 3.304 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000347004005 264137480 /nfs/dbraw/zinc/13/74/80/264137480.db2.gz MLXYCLGKZGBQHT-CYBMUJFWSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000347004005 264137483 /nfs/dbraw/zinc/13/74/83/264137483.db2.gz MLXYCLGKZGBQHT-CYBMUJFWSA-N 2 2 305.447 3.143 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1OC ZINC000347018843 264141466 /nfs/dbraw/zinc/14/14/66/264141466.db2.gz LHTAXCCFEJLGLI-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1OC ZINC000347018843 264141467 /nfs/dbraw/zinc/14/14/67/264141467.db2.gz LHTAXCCFEJLGLI-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347085031 264153833 /nfs/dbraw/zinc/15/38/33/264153833.db2.gz WCCAVKPHDKLCNE-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347085031 264153835 /nfs/dbraw/zinc/15/38/35/264153835.db2.gz WCCAVKPHDKLCNE-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347085031 264153837 /nfs/dbraw/zinc/15/38/37/264153837.db2.gz WCCAVKPHDKLCNE-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000347085031 264153838 /nfs/dbraw/zinc/15/38/38/264153838.db2.gz WCCAVKPHDKLCNE-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1cccc(CN(CC[NH+](C)C)c2cc[nH+]c(C(C)C)n2)c1 ZINC000347083107 264154086 /nfs/dbraw/zinc/15/40/86/264154086.db2.gz FPNRHZNZMLEZLJ-UHFFFAOYSA-N 2 2 312.461 3.477 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(SC)cc1OC ZINC000347093277 264155517 /nfs/dbraw/zinc/15/55/17/264155517.db2.gz GTPGIKLYHSWHOP-TZMCWYRMSA-N 2 2 324.490 3.127 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(SC)cc1OC ZINC000347093277 264155519 /nfs/dbraw/zinc/15/55/19/264155519.db2.gz GTPGIKLYHSWHOP-TZMCWYRMSA-N 2 2 324.490 3.127 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)sc1Br ZINC000347100643 264156259 /nfs/dbraw/zinc/15/62/59/264156259.db2.gz JZOREGHBDLYFBJ-MNOVXSKESA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)sc1Br ZINC000347100643 264156261 /nfs/dbraw/zinc/15/62/61/264156261.db2.gz JZOREGHBDLYFBJ-MNOVXSKESA-N 2 2 317.296 3.378 20 0 DGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000347109515 264158114 /nfs/dbraw/zinc/15/81/14/264158114.db2.gz NNRNCGRYNDDMEU-ABAIWWIYSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000347109515 264158116 /nfs/dbraw/zinc/15/81/16/264158116.db2.gz NNRNCGRYNDDMEU-ABAIWWIYSA-N 2 2 305.422 3.118 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347200614 264175077 /nfs/dbraw/zinc/17/50/77/264175077.db2.gz JVWXOIPEGXONJM-OAHLLOKOSA-N 2 2 321.896 3.372 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347200614 264175079 /nfs/dbraw/zinc/17/50/79/264175079.db2.gz JVWXOIPEGXONJM-OAHLLOKOSA-N 2 2 321.896 3.372 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000347363688 264207153 /nfs/dbraw/zinc/20/71/53/264207153.db2.gz PMZKNYHGMNYIAI-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000347363688 264207154 /nfs/dbraw/zinc/20/71/54/264207154.db2.gz PMZKNYHGMNYIAI-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000347787363 264285057 /nfs/dbraw/zinc/28/50/57/264285057.db2.gz BFCBTBGBEDCNSK-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3ccc(N4CCCC4)c[nH+]3)n2c1 ZINC000347816583 264288397 /nfs/dbraw/zinc/28/83/97/264288397.db2.gz OAOQESOCKHOWQI-UHFFFAOYSA-N 2 2 307.401 3.250 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000347874317 264300162 /nfs/dbraw/zinc/30/01/62/264300162.db2.gz HHPBRIYVNFPIGA-MRXNPFEDSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000347874317 264300163 /nfs/dbraw/zinc/30/01/63/264300163.db2.gz HHPBRIYVNFPIGA-MRXNPFEDSA-N 3 2 303.494 3.423 20 0 DGADLP CCSCC[C@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347928671 264308779 /nfs/dbraw/zinc/30/87/79/264308779.db2.gz QUZPJTQEUCJFHX-LBPRGKRZSA-N 2 2 301.525 3.168 20 0 DGADLP CCSCC[C@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347928671 264308781 /nfs/dbraw/zinc/30/87/81/264308781.db2.gz QUZPJTQEUCJFHX-LBPRGKRZSA-N 2 2 301.525 3.168 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348083055 264336313 /nfs/dbraw/zinc/33/63/13/264336313.db2.gz KCTSLWLWWNTSNE-ZIAGYGMSSA-N 2 2 309.429 3.144 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348083055 264336317 /nfs/dbraw/zinc/33/63/17/264336317.db2.gz KCTSLWLWWNTSNE-ZIAGYGMSSA-N 2 2 309.429 3.144 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000348093515 264338167 /nfs/dbraw/zinc/33/81/67/264338167.db2.gz ASDFAQNGUXNGGF-KRWDZBQOSA-N 2 2 312.413 3.142 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000348134196 264349247 /nfs/dbraw/zinc/34/92/47/264349247.db2.gz GFPYSRGJMPGDJD-GOSISDBHSA-N 2 2 311.473 3.433 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000348184451 264359305 /nfs/dbraw/zinc/35/93/05/264359305.db2.gz GJTLWETULXAYDF-SMDDNHRTSA-N 2 2 320.234 3.311 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CC2(c3ccccc3)CC2)s1 ZINC000348226433 264367991 /nfs/dbraw/zinc/36/79/91/264367991.db2.gz ODBOZGUVWUJKCN-UHFFFAOYSA-N 2 2 315.486 3.368 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CC2(c3ccccc3)CC2)s1 ZINC000348226433 264367993 /nfs/dbraw/zinc/36/79/93/264367993.db2.gz ODBOZGUVWUJKCN-UHFFFAOYSA-N 2 2 315.486 3.368 20 0 DGADLP CCC1CCC([NH2+]CCCCn2cc[nH+]c2C)(C(=O)OC)CC1 ZINC000348255175 264375714 /nfs/dbraw/zinc/37/57/14/264375714.db2.gz HDQNMQNZSQQLPC-UHFFFAOYSA-N 2 2 321.465 3.073 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000348266226 264378377 /nfs/dbraw/zinc/37/83/77/264378377.db2.gz HGRUGXAXSIPEGQ-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000348266226 264378379 /nfs/dbraw/zinc/37/83/79/264378379.db2.gz HGRUGXAXSIPEGQ-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000348266226 264378382 /nfs/dbraw/zinc/37/83/82/264378382.db2.gz HGRUGXAXSIPEGQ-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000348266226 264378383 /nfs/dbraw/zinc/37/83/83/264378383.db2.gz HGRUGXAXSIPEGQ-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]c(C)c1Cl ZINC000350248318 264596441 /nfs/dbraw/zinc/59/64/41/264596441.db2.gz LVGNOGCWQXWNQL-UHFFFAOYSA-N 2 2 300.793 3.236 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000351848203 264834935 /nfs/dbraw/zinc/83/49/35/264834935.db2.gz CNIDWIUJWRDARX-CJNGLKHVSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000351848203 264834938 /nfs/dbraw/zinc/83/49/38/264834938.db2.gz CNIDWIUJWRDARX-CJNGLKHVSA-N 2 2 314.433 3.029 20 0 DGADLP COc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1C ZINC000352337261 265006345 /nfs/dbraw/zinc/00/63/45/265006345.db2.gz FWGISINXJSPGQQ-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)c1 ZINC000352344254 265009074 /nfs/dbraw/zinc/00/90/74/265009074.db2.gz DFUMAYCTKIEDIJ-NVXWUHKLSA-N 2 2 311.429 3.429 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352364379 265018002 /nfs/dbraw/zinc/01/80/02/265018002.db2.gz CJDXNNBBSLCAII-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352489199 265066776 /nfs/dbraw/zinc/06/67/76/265066776.db2.gz YRSFZZPWRDCJHM-INIZCTEOSA-N 2 2 317.477 3.260 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352489199 265066779 /nfs/dbraw/zinc/06/67/79/265066779.db2.gz YRSFZZPWRDCJHM-INIZCTEOSA-N 2 2 317.477 3.260 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352526760 265079030 /nfs/dbraw/zinc/07/90/30/265079030.db2.gz RJUMJGOBMNVMBW-MRXNPFEDSA-N 2 2 314.351 3.003 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352526760 265079032 /nfs/dbraw/zinc/07/90/32/265079032.db2.gz RJUMJGOBMNVMBW-MRXNPFEDSA-N 2 2 314.351 3.003 20 0 DGADLP CC(C)(C)OC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000352554340 265087509 /nfs/dbraw/zinc/08/75/09/265087509.db2.gz FVUPMZHRWRFKKY-UHFFFAOYSA-N 2 2 317.408 3.447 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@@H+]1C ZINC000352635595 265112444 /nfs/dbraw/zinc/11/24/44/265112444.db2.gz DRHNWPCZEJGNMV-KGLIPLIRSA-N 2 2 317.458 3.398 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000352635595 265112446 /nfs/dbraw/zinc/11/24/46/265112446.db2.gz DRHNWPCZEJGNMV-KGLIPLIRSA-N 2 2 317.458 3.398 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(C3CC3)cc2)s1 ZINC000352705632 265135834 /nfs/dbraw/zinc/13/58/34/265135834.db2.gz LZRMQLGSICEKLU-UHFFFAOYSA-N 2 2 301.459 3.372 20 0 DGADLP Cc1ccc(O[C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352751711 265152873 /nfs/dbraw/zinc/15/28/73/265152873.db2.gz WGMIXCAUBZFPBX-CQSZACIVSA-N 2 2 319.474 3.070 20 0 DGADLP C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000352756828 265154928 /nfs/dbraw/zinc/15/49/28/265154928.db2.gz GODKDORLIUFERN-FAEJEUNOSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000352756828 265154933 /nfs/dbraw/zinc/15/49/33/265154933.db2.gz GODKDORLIUFERN-FAEJEUNOSA-N 2 2 304.478 3.443 20 0 DGADLP CCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000352761290 265156219 /nfs/dbraw/zinc/15/62/19/265156219.db2.gz VPQOPNQQPXBLMV-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000352765699 265157551 /nfs/dbraw/zinc/15/75/51/265157551.db2.gz RBAWZTZVIMPJCY-UHFFFAOYSA-N 2 2 313.430 3.003 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3cc(F)ccc32)s1 ZINC000352770268 265159968 /nfs/dbraw/zinc/15/99/68/265159968.db2.gz KCVIKOKOSWDYJY-OAHLLOKOSA-N 2 2 305.422 3.121 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000352777785 265162468 /nfs/dbraw/zinc/16/24/68/265162468.db2.gz URQNTTJEHHHZRF-OXJNMPFZSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352777785 265162469 /nfs/dbraw/zinc/16/24/69/265162469.db2.gz URQNTTJEHHHZRF-OXJNMPFZSA-N 2 2 309.457 3.397 20 0 DGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000352853929 265198337 /nfs/dbraw/zinc/19/83/37/265198337.db2.gz PRLRHZRYMWBAIG-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042102 265278363 /nfs/dbraw/zinc/27/83/63/265278363.db2.gz ZUOYCAYIMIOZGE-JFRXWTBNSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042102 265278365 /nfs/dbraw/zinc/27/83/65/265278365.db2.gz ZUOYCAYIMIOZGE-JFRXWTBNSA-N 2 2 302.462 3.084 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)NCc1c[nH+]c2ccc(Cl)cn12 ZINC000353063286 265284891 /nfs/dbraw/zinc/28/48/91/265284891.db2.gz SKBUDOGRDHKQTJ-ZDUSSCGKSA-N 2 2 308.857 3.198 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)NCc1c[nH+]c2ccc(Cl)cn12 ZINC000353063286 265284892 /nfs/dbraw/zinc/28/48/92/265284892.db2.gz SKBUDOGRDHKQTJ-ZDUSSCGKSA-N 2 2 308.857 3.198 20 0 DGADLP CC[NH+]1CCN(c2ccccc2CNc2c[nH+]ccc2C)CC1 ZINC000353216406 265346485 /nfs/dbraw/zinc/34/64/85/265346485.db2.gz GIOJJKPFZQSMTC-UHFFFAOYSA-N 2 2 310.445 3.144 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000353325351 265389983 /nfs/dbraw/zinc/38/99/83/265389983.db2.gz LNSGBZUXWKMGDJ-GUYCJALGSA-N 2 2 311.429 3.219 20 0 DGADLP CC(C)[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000353334521 265393228 /nfs/dbraw/zinc/39/32/28/265393228.db2.gz HSWRQSGHVRLZLA-GOSISDBHSA-N 2 2 312.392 3.398 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215252 266002563 /nfs/dbraw/zinc/00/25/63/266002563.db2.gz CALOSNKPQOIRDM-UKRRQHHQSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215252 266002566 /nfs/dbraw/zinc/00/25/66/266002566.db2.gz CALOSNKPQOIRDM-UKRRQHHQSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215252 266002568 /nfs/dbraw/zinc/00/25/68/266002568.db2.gz CALOSNKPQOIRDM-UKRRQHHQSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CC[C@H]21 ZINC000355215252 266002569 /nfs/dbraw/zinc/00/25/69/266002569.db2.gz CALOSNKPQOIRDM-UKRRQHHQSA-N 2 2 316.474 3.054 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000355521965 266101745 /nfs/dbraw/zinc/10/17/45/266101745.db2.gz ZTURPTPMDJRMAQ-MRXNPFEDSA-N 2 2 313.445 3.408 20 0 DGADLP Cc1cc(N[C@H]2CC[NH2+]CC(C)(C)C2)nc(-c2cccnc2)[nH+]1 ZINC000634813531 424845172 /nfs/dbraw/zinc/84/51/72/424845172.db2.gz NXGQQVRFKWAERC-HNNXBMFYSA-N 2 2 311.433 3.037 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2[nH+]1 ZINC000355867735 266213805 /nfs/dbraw/zinc/21/38/05/266213805.db2.gz KWXHHTUBSKASPM-UHFFFAOYSA-N 2 2 308.385 3.185 20 0 DGADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1[C@@H]1CCCO1 ZINC000356253903 266333321 /nfs/dbraw/zinc/33/33/21/266333321.db2.gz GQJSJMKREFQDRN-JKSUJKDBSA-N 2 2 317.458 3.323 20 0 DGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1[C@@H]1CCCO1 ZINC000356253903 266333325 /nfs/dbraw/zinc/33/33/25/266333325.db2.gz GQJSJMKREFQDRN-JKSUJKDBSA-N 2 2 317.458 3.323 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c[nH+]1 ZINC000356376270 266372974 /nfs/dbraw/zinc/37/29/74/266372974.db2.gz ZPAQQDNIPNBSNY-FQEVSTJZSA-N 2 2 321.468 3.460 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c[nH+]1 ZINC000356376270 266372977 /nfs/dbraw/zinc/37/29/77/266372977.db2.gz ZPAQQDNIPNBSNY-FQEVSTJZSA-N 2 2 321.468 3.460 20 0 DGADLP C[NH+](C)Cc1cccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000172767377 432233046 /nfs/dbraw/zinc/23/30/46/432233046.db2.gz YKQRCFVDPYCAFH-UHFFFAOYSA-N 2 2 320.396 3.391 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)n1 ZINC000151326276 432237687 /nfs/dbraw/zinc/23/76/87/432237687.db2.gz DKWQDKAHAQUAQX-AWEZNQCLSA-N 2 2 321.428 3.189 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)n1 ZINC000151326205 432237866 /nfs/dbraw/zinc/23/78/66/432237866.db2.gz DKWQDKAHAQUAQX-CQSZACIVSA-N 2 2 321.428 3.189 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000270419491 432244306 /nfs/dbraw/zinc/24/43/06/432244306.db2.gz FDWURMMAUNYYPU-MWLCHTKSSA-N 2 2 302.249 3.320 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000270419491 432244309 /nfs/dbraw/zinc/24/43/09/432244309.db2.gz FDWURMMAUNYYPU-MWLCHTKSSA-N 2 2 302.249 3.320 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191287477 432245256 /nfs/dbraw/zinc/24/52/56/432245256.db2.gz JIQLDPXDEULEFW-GHMZBOCLSA-N 2 2 301.228 3.005 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(Br)o1 ZINC000191310290 432248788 /nfs/dbraw/zinc/24/87/88/432248788.db2.gz PBRFHOOGBNBNQF-UHFFFAOYSA-N 2 2 303.244 3.206 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000191310290 432248793 /nfs/dbraw/zinc/24/87/93/432248793.db2.gz PBRFHOOGBNBNQF-UHFFFAOYSA-N 2 2 303.244 3.206 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1CCCCO1 ZINC000359864843 271002706 /nfs/dbraw/zinc/00/27/06/271002706.db2.gz DGKCBRIKRFGXEP-KXBFYZLASA-N 2 2 320.452 3.337 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000367675717 271061854 /nfs/dbraw/zinc/06/18/54/271061854.db2.gz ZPTAYNPDFLJJFW-AJYBTWMASA-N 2 2 316.489 3.210 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000367675717 271061856 /nfs/dbraw/zinc/06/18/56/271061856.db2.gz ZPTAYNPDFLJJFW-AJYBTWMASA-N 2 2 316.489 3.210 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369540309 271289496 /nfs/dbraw/zinc/28/94/96/271289496.db2.gz NEQLKFACJUPNSM-CVEARBPZSA-N 2 2 312.461 3.334 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369540309 271289500 /nfs/dbraw/zinc/28/95/00/271289500.db2.gz NEQLKFACJUPNSM-CVEARBPZSA-N 2 2 312.461 3.334 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369540313 271290699 /nfs/dbraw/zinc/29/06/99/271290699.db2.gz NEQLKFACJUPNSM-HZPDHXFCSA-N 2 2 312.461 3.334 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369540313 271290700 /nfs/dbraw/zinc/29/07/00/271290700.db2.gz NEQLKFACJUPNSM-HZPDHXFCSA-N 2 2 312.461 3.334 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000370394472 271358528 /nfs/dbraw/zinc/35/85/28/271358528.db2.gz LDXRKXWBFFYSQV-VQIMIIECSA-N 2 2 310.441 3.360 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000370394472 271358531 /nfs/dbraw/zinc/35/85/31/271358531.db2.gz LDXRKXWBFFYSQV-VQIMIIECSA-N 2 2 310.441 3.360 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)CCC2 ZINC000372584645 271548390 /nfs/dbraw/zinc/54/83/90/271548390.db2.gz MFSNYVYQVLLDHS-MRXNPFEDSA-N 2 2 321.428 3.249 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000372677228 271555448 /nfs/dbraw/zinc/55/54/48/271555448.db2.gz YFMVPEGTIKWEHW-LBPRGKRZSA-N 2 2 305.372 3.391 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000420358738 273500845 /nfs/dbraw/zinc/50/08/45/273500845.db2.gz JCTRZYRDQITVJN-GFCCVEGCSA-N 2 2 315.248 3.104 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423276269 273555157 /nfs/dbraw/zinc/55/51/57/273555157.db2.gz OCHOHCUWBDLBGW-OLZOCXBDSA-N 2 2 315.230 3.148 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247958994 432256910 /nfs/dbraw/zinc/25/69/10/432256910.db2.gz FYLMHXSAEGCEMJ-MJQMVNBJSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247958994 432256913 /nfs/dbraw/zinc/25/69/13/432256913.db2.gz FYLMHXSAEGCEMJ-MJQMVNBJSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542807 432257078 /nfs/dbraw/zinc/25/70/78/432257078.db2.gz XXOLYVGLGCKGPH-UTKZUKDTSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542807 432257082 /nfs/dbraw/zinc/25/70/82/432257082.db2.gz XXOLYVGLGCKGPH-UTKZUKDTSA-N 2 2 324.468 3.494 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338213232 274019727 /nfs/dbraw/zinc/01/97/27/274019727.db2.gz ZEBWNJJOYAWDPN-QGZVFWFLSA-N 2 2 324.415 3.043 20 0 DGADLP COc1cccc2c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cccc12 ZINC000449224058 274149268 /nfs/dbraw/zinc/14/92/68/274149268.db2.gz GZHPFNPEDCXBKE-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cccc12 ZINC000449224058 274149271 /nfs/dbraw/zinc/14/92/71/274149271.db2.gz GZHPFNPEDCXBKE-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cccc12 ZINC000449224058 274149272 /nfs/dbraw/zinc/14/92/72/274149272.db2.gz GZHPFNPEDCXBKE-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cccc12 ZINC000449224058 274149274 /nfs/dbraw/zinc/14/92/74/274149274.db2.gz GZHPFNPEDCXBKE-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427861726 274230625 /nfs/dbraw/zinc/23/06/25/274230625.db2.gz UCNDTYHABLFMKL-WFASDCNBSA-N 2 2 323.362 3.438 20 0 DGADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560685 274265795 /nfs/dbraw/zinc/26/57/95/274265795.db2.gz VODBPFZBXMRTRF-ACJLOTCBSA-N 2 2 322.880 3.104 20 0 DGADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560685 274265800 /nfs/dbraw/zinc/26/58/00/274265800.db2.gz VODBPFZBXMRTRF-ACJLOTCBSA-N 2 2 322.880 3.104 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000291164705 274392028 /nfs/dbraw/zinc/39/20/28/274392028.db2.gz MNKIDZGWWLLDNI-KDOFPFPSSA-N 2 2 322.880 3.462 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000091367800 274520439 /nfs/dbraw/zinc/52/04/39/274520439.db2.gz VENBTFQHIOCENT-ZNMIVQPWSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991424 432259166 /nfs/dbraw/zinc/25/91/66/432259166.db2.gz JLSMCRQYLJJSNR-ILXRZTDVSA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991424 432259168 /nfs/dbraw/zinc/25/91/68/432259168.db2.gz JLSMCRQYLJJSNR-ILXRZTDVSA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247991424 432259172 /nfs/dbraw/zinc/25/91/72/432259172.db2.gz JLSMCRQYLJJSNR-ILXRZTDVSA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247991424 432259174 /nfs/dbraw/zinc/25/91/74/432259174.db2.gz JLSMCRQYLJJSNR-ILXRZTDVSA-N 2 2 305.466 3.449 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2cc1Cl ZINC000450353965 274910072 /nfs/dbraw/zinc/91/00/72/274910072.db2.gz IJINVHAPTNDSPJ-LBPRGKRZSA-N 2 2 317.795 3.478 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423274023 275673999 /nfs/dbraw/zinc/67/39/99/275673999.db2.gz LJVRTDXXQSKOIJ-VHSXEESVSA-N 2 2 303.269 3.071 20 0 DGADLP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423266302 275725036 /nfs/dbraw/zinc/72/50/36/275725036.db2.gz BOPMHDSTMZOCEL-GBESFXJTSA-N 3 2 307.526 3.199 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C[C@@H]1OC ZINC000344118082 275962625 /nfs/dbraw/zinc/96/26/25/275962625.db2.gz YJPHIYIENJAGKP-XHSDSOJGSA-N 2 2 305.466 3.252 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423551619 276045115 /nfs/dbraw/zinc/04/51/15/276045115.db2.gz GIDNWMKVIWFJPT-DOMZBBRYSA-N 2 2 317.260 3.413 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342489 276174249 /nfs/dbraw/zinc/17/42/49/276174249.db2.gz UUQBNAKLRKEPMU-IEBWSBKVSA-N 2 2 314.473 3.463 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342489 276174251 /nfs/dbraw/zinc/17/42/51/276174251.db2.gz UUQBNAKLRKEPMU-IEBWSBKVSA-N 2 2 314.473 3.463 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2CC)C12CCC2 ZINC000423498847 276352371 /nfs/dbraw/zinc/35/23/71/276352371.db2.gz ILHIWLWPPYTXFO-OKZBNKHCSA-N 2 2 302.462 3.186 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2cc(Br)ccc2C1 ZINC000192250629 277061375 /nfs/dbraw/zinc/06/13/75/277061375.db2.gz VNVDCVPAPZQKOI-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2cc(Br)ccc2C1 ZINC000192250629 277061376 /nfs/dbraw/zinc/06/13/76/277061376.db2.gz VNVDCVPAPZQKOI-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000192250629 277061377 /nfs/dbraw/zinc/06/13/77/277061377.db2.gz VNVDCVPAPZQKOI-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000192250629 277061378 /nfs/dbraw/zinc/06/13/78/277061378.db2.gz VNVDCVPAPZQKOI-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423375198 277083307 /nfs/dbraw/zinc/08/33/07/277083307.db2.gz CYDKEDQNAYOYID-SUMWQHHRSA-N 2 2 303.450 3.074 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422599 277329529 /nfs/dbraw/zinc/32/95/29/277329529.db2.gz PJEMSYUVVBGQNE-QFBILLFUSA-N 2 2 313.445 3.234 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422599 277329531 /nfs/dbraw/zinc/32/95/31/277329531.db2.gz PJEMSYUVVBGQNE-QFBILLFUSA-N 2 2 313.445 3.234 20 0 DGADLP COCCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181591280 277499719 /nfs/dbraw/zinc/49/97/19/277499719.db2.gz FSSNNPCPEHVVOD-CVEARBPZSA-N 2 2 305.466 3.012 20 0 DGADLP CC(C)c1ccc(CC[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000468753903 278035001 /nfs/dbraw/zinc/03/50/01/278035001.db2.gz ACAONWHAJADDMY-SFHVURJKSA-N 2 2 306.519 3.379 20 0 DGADLP C[C@@H]1Cc2[nH+]cn(Cc3[nH+]ccn3CC(F)(F)F)c2C[C@@H]1C ZINC000336863771 278043382 /nfs/dbraw/zinc/04/33/82/278043382.db2.gz CVKQSJPSRIWASW-MNOVXSKESA-N 2 2 312.339 3.061 20 0 DGADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425371856 278095958 /nfs/dbraw/zinc/09/59/58/278095958.db2.gz RHPITBJXIQCBIS-TUAOUCFPSA-N 2 2 318.387 3.037 20 0 DGADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425371856 278095960 /nfs/dbraw/zinc/09/59/60/278095960.db2.gz RHPITBJXIQCBIS-TUAOUCFPSA-N 2 2 318.387 3.037 20 0 DGADLP CSC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000154307756 278122039 /nfs/dbraw/zinc/12/20/39/278122039.db2.gz SMPXVHCSXNFUKZ-HOCLYGCPSA-N 2 2 307.507 3.023 20 0 DGADLP CSC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000154307756 278122041 /nfs/dbraw/zinc/12/20/41/278122041.db2.gz SMPXVHCSXNFUKZ-HOCLYGCPSA-N 2 2 307.507 3.023 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422731167 278169580 /nfs/dbraw/zinc/16/95/80/278169580.db2.gz GLUKBQTXVPDMCN-MJGOQNOKSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423027040 278295305 /nfs/dbraw/zinc/29/53/05/278295305.db2.gz CSCOUPPGMVSLLX-XOQVMUHJSA-N 2 2 320.452 3.209 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]1 ZINC000422960373 278374621 /nfs/dbraw/zinc/37/46/21/278374621.db2.gz WBUJHYIGCGZWIO-VCTAVGKDSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427861717 279378041 /nfs/dbraw/zinc/37/80/41/279378041.db2.gz UCNDTYHABLFMKL-DOMZBBRYSA-N 2 2 323.362 3.438 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803458 431222785 /nfs/dbraw/zinc/22/27/85/431222785.db2.gz UIZYOLMGOWDOFV-IEBWSBKVSA-N 2 2 302.462 3.182 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803458 431222793 /nfs/dbraw/zinc/22/27/93/431222793.db2.gz UIZYOLMGOWDOFV-IEBWSBKVSA-N 2 2 302.462 3.182 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173785 431243452 /nfs/dbraw/zinc/24/34/52/431243452.db2.gz RIRUARFTRCKMFD-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173785 431243456 /nfs/dbraw/zinc/24/34/56/431243456.db2.gz RIRUARFTRCKMFD-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000071314707 431278662 /nfs/dbraw/zinc/27/86/62/431278662.db2.gz KHNUNVZHQCFXNY-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000071314707 431278667 /nfs/dbraw/zinc/27/86/67/431278667.db2.gz KHNUNVZHQCFXNY-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000072823646 431350757 /nfs/dbraw/zinc/35/07/57/431350757.db2.gz GAJBPFUTEROJHQ-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000072823646 431350762 /nfs/dbraw/zinc/35/07/62/431350762.db2.gz GAJBPFUTEROJHQ-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512162 431352747 /nfs/dbraw/zinc/35/27/47/431352747.db2.gz XFSJKIWYDWIWTM-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512162 431352758 /nfs/dbraw/zinc/35/27/58/431352758.db2.gz XFSJKIWYDWIWTM-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP CCc1noc([C@@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)n1 ZINC000114748628 431410647 /nfs/dbraw/zinc/41/06/47/431410647.db2.gz CKYNLMJFRWVBFM-CQSZACIVSA-N 2 2 316.449 3.325 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453265788 280032282 /nfs/dbraw/zinc/03/22/82/280032282.db2.gz NXQDQBDGGUIXOS-UXPWSPDFSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453265788 280032283 /nfs/dbraw/zinc/03/22/83/280032283.db2.gz NXQDQBDGGUIXOS-UXPWSPDFSA-N 2 2 316.489 3.307 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000289487933 280282986 /nfs/dbraw/zinc/28/29/86/280282986.db2.gz KQHWGWRBLZMASH-UHFFFAOYSA-N 2 2 312.461 3.384 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000289487933 280282988 /nfs/dbraw/zinc/28/29/88/280282988.db2.gz KQHWGWRBLZMASH-UHFFFAOYSA-N 2 2 312.461 3.384 20 0 DGADLP Cc1ncc(C[NH+](C)CCC[N@@H+](C)Cc2cnc(C)s2)s1 ZINC000077267201 431577862 /nfs/dbraw/zinc/57/78/62/431577862.db2.gz PTTLOAAGHVUTKL-UHFFFAOYSA-N 2 2 324.519 3.170 20 0 DGADLP Cc1ncc(C[NH+](C)CCC[N@H+](C)Cc2cnc(C)s2)s1 ZINC000077267201 431577869 /nfs/dbraw/zinc/57/78/69/431577869.db2.gz PTTLOAAGHVUTKL-UHFFFAOYSA-N 2 2 324.519 3.170 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)on2)cc1 ZINC000118843425 431619951 /nfs/dbraw/zinc/61/99/51/431619951.db2.gz QCSGUNVJZBMVML-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)on2)cc1 ZINC000118843425 431619957 /nfs/dbraw/zinc/61/99/57/431619957.db2.gz QCSGUNVJZBMVML-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)on2)cc1 ZINC000118843425 431619964 /nfs/dbraw/zinc/61/99/64/431619964.db2.gz QCSGUNVJZBMVML-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)on2)cc1 ZINC000118843425 431619970 /nfs/dbraw/zinc/61/99/70/431619970.db2.gz QCSGUNVJZBMVML-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843423 431620440 /nfs/dbraw/zinc/62/04/40/431620440.db2.gz JOTKAXPVZKQMPU-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843423 431620446 /nfs/dbraw/zinc/62/04/46/431620446.db2.gz JOTKAXPVZKQMPU-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843423 431620449 /nfs/dbraw/zinc/62/04/49/431620449.db2.gz JOTKAXPVZKQMPU-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843423 431620454 /nfs/dbraw/zinc/62/04/54/431620454.db2.gz JOTKAXPVZKQMPU-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000119036613 431637476 /nfs/dbraw/zinc/63/74/76/431637476.db2.gz SDHHRRDWPWFWJE-WDYCEAGBSA-N 2 2 320.477 3.093 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)nc1 ZINC000119108732 431646508 /nfs/dbraw/zinc/64/65/08/431646508.db2.gz KMFNHSLMBFRKNR-HXUWFJFHSA-N 2 2 307.441 3.323 20 0 DGADLP CC[N@@H+]1CCC[C@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000119442622 431691131 /nfs/dbraw/zinc/69/11/31/431691131.db2.gz ONNDVQQAJLADEB-CQSZACIVSA-N 2 2 314.433 3.091 20 0 DGADLP CC[N@H+]1CCC[C@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000119442622 431691136 /nfs/dbraw/zinc/69/11/36/431691136.db2.gz ONNDVQQAJLADEB-CQSZACIVSA-N 2 2 314.433 3.091 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119438093 431692418 /nfs/dbraw/zinc/69/24/18/431692418.db2.gz UMLJVEYJELDWMF-AWEZNQCLSA-N 2 2 305.397 3.273 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119438093 431692428 /nfs/dbraw/zinc/69/24/28/431692428.db2.gz UMLJVEYJELDWMF-AWEZNQCLSA-N 2 2 305.397 3.273 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119438093 431692432 /nfs/dbraw/zinc/69/24/32/431692432.db2.gz UMLJVEYJELDWMF-AWEZNQCLSA-N 2 2 305.397 3.273 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119438093 431692440 /nfs/dbraw/zinc/69/24/40/431692440.db2.gz UMLJVEYJELDWMF-AWEZNQCLSA-N 2 2 305.397 3.273 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119649085 431714688 /nfs/dbraw/zinc/71/46/88/431714688.db2.gz FUDMXLWFQOOYQF-GOSISDBHSA-N 2 2 316.445 3.125 20 0 DGADLP C[N@@H+](CCC(=O)c1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000122102656 431812667 /nfs/dbraw/zinc/81/26/67/431812667.db2.gz LWVABWKTGLROCS-QGZVFWFLSA-N 2 2 306.425 3.205 20 0 DGADLP C[N@H+](CCC(=O)c1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000122102656 431812671 /nfs/dbraw/zinc/81/26/71/431812671.db2.gz LWVABWKTGLROCS-QGZVFWFLSA-N 2 2 306.425 3.205 20 0 DGADLP C[NH+](CCC(=O)c1ccc(F)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000122102656 431812675 /nfs/dbraw/zinc/81/26/75/431812675.db2.gz LWVABWKTGLROCS-QGZVFWFLSA-N 2 2 306.425 3.205 20 0 DGADLP C[NH+](CCC(=O)c1ccc(F)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000122102656 431812677 /nfs/dbraw/zinc/81/26/77/431812677.db2.gz LWVABWKTGLROCS-QGZVFWFLSA-N 2 2 306.425 3.205 20 0 DGADLP C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122985655 431850274 /nfs/dbraw/zinc/85/02/74/431850274.db2.gz GCTCZWLZJHCLDK-IAGOWNOFSA-N 2 2 312.461 3.397 20 0 DGADLP C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122985028 431850533 /nfs/dbraw/zinc/85/05/33/431850533.db2.gz GCTCZWLZJHCLDK-IRXDYDNUSA-N 2 2 312.461 3.397 20 0 DGADLP Cc1csc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000037988540 431852064 /nfs/dbraw/zinc/85/20/64/431852064.db2.gz CLLAHEUDFCZYJY-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043182 431907856 /nfs/dbraw/zinc/90/78/56/431907856.db2.gz ZQDRKCTZDJWXFH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043182 431907857 /nfs/dbraw/zinc/90/78/57/431907857.db2.gz ZQDRKCTZDJWXFH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000092043182 431907860 /nfs/dbraw/zinc/90/78/60/431907860.db2.gz ZQDRKCTZDJWXFH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000092043182 431907861 /nfs/dbraw/zinc/90/78/61/431907861.db2.gz ZQDRKCTZDJWXFH-BBRMVZONSA-N 2 2 308.853 3.265 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000125208466 431917694 /nfs/dbraw/zinc/91/76/94/431917694.db2.gz RANIATLTXNTSJH-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000125208466 431917695 /nfs/dbraw/zinc/91/76/95/431917695.db2.gz RANIATLTXNTSJH-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000125248714 431918536 /nfs/dbraw/zinc/91/85/36/431918536.db2.gz VHCCYGPYQMYYQO-UHFFFAOYSA-N 2 2 316.424 3.132 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000125248714 431918537 /nfs/dbraw/zinc/91/85/37/431918537.db2.gz VHCCYGPYQMYYQO-UHFFFAOYSA-N 2 2 316.424 3.132 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000044533961 431875395 /nfs/dbraw/zinc/87/53/95/431875395.db2.gz FBEMZOGEYFQIFG-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000044533961 431875397 /nfs/dbraw/zinc/87/53/97/431875397.db2.gz FBEMZOGEYFQIFG-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000090003822 431888452 /nfs/dbraw/zinc/88/84/52/431888452.db2.gz FESZDIYFJOGCNY-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000090003822 431888454 /nfs/dbraw/zinc/88/84/54/431888454.db2.gz FESZDIYFJOGCNY-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000124297446 431889221 /nfs/dbraw/zinc/88/92/21/431889221.db2.gz SICRZAGRWBXGAX-MRXNPFEDSA-N 2 2 314.429 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124349292 431890665 /nfs/dbraw/zinc/89/06/65/431890665.db2.gz ADRNBGPZMZMNSM-JKSUJKDBSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124349292 431890667 /nfs/dbraw/zinc/89/06/67/431890667.db2.gz ADRNBGPZMZMNSM-JKSUJKDBSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124349499 431890866 /nfs/dbraw/zinc/89/08/66/431890866.db2.gz ADRNBGPZMZMNSM-HZPDHXFCSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124349499 431890868 /nfs/dbraw/zinc/89/08/68/431890868.db2.gz ADRNBGPZMZMNSM-HZPDHXFCSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000090721800 431894365 /nfs/dbraw/zinc/89/43/65/431894365.db2.gz PVXUZGSLJQRWQE-WCQYABFASA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000090721800 431894368 /nfs/dbraw/zinc/89/43/68/431894368.db2.gz PVXUZGSLJQRWQE-WCQYABFASA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000090720643 431894846 /nfs/dbraw/zinc/89/48/46/431894846.db2.gz LLIFOMYBUGDUHB-ONGXEEELSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)CC[N@H+]1C ZINC000090720643 431894847 /nfs/dbraw/zinc/89/48/47/431894847.db2.gz LLIFOMYBUGDUHB-ONGXEEELSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(Br)c2)CC[N@@H+]1C ZINC000090721673 431895033 /nfs/dbraw/zinc/89/50/33/431895033.db2.gz KCHFFXXGJZLEOJ-KOLCDFICSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(Br)c2)CC[N@H+]1C ZINC000090721673 431895035 /nfs/dbraw/zinc/89/50/35/431895035.db2.gz KCHFFXXGJZLEOJ-KOLCDFICSA-N 2 2 303.269 3.083 20 0 DGADLP CCOc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1OC ZINC000127726150 431979350 /nfs/dbraw/zinc/97/93/50/431979350.db2.gz VRRYOWSLRDVZQG-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000126325166 431947250 /nfs/dbraw/zinc/94/72/50/431947250.db2.gz GYXPSLJYJJSZFD-IRXDYDNUSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000126325166 431947251 /nfs/dbraw/zinc/94/72/51/431947251.db2.gz GYXPSLJYJJSZFD-IRXDYDNUSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1F ZINC000126585454 431953953 /nfs/dbraw/zinc/95/39/53/431953953.db2.gz OJYUWCJZYKACFF-SNVBAGLBSA-N 2 2 303.219 3.191 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000127204324 431967031 /nfs/dbraw/zinc/96/70/31/431967031.db2.gz ADXNHTPVSVQWKU-RISCZKNCSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000127204324 431967033 /nfs/dbraw/zinc/96/70/33/431967033.db2.gz ADXNHTPVSVQWKU-RISCZKNCSA-N 2 2 315.230 3.147 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)[nH+]c1 ZINC000127201452 431967088 /nfs/dbraw/zinc/96/70/88/431967088.db2.gz XSKHPHXOMBYBKE-QGZVFWFLSA-N 2 2 315.461 3.132 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CCC2 ZINC000339068489 281093423 /nfs/dbraw/zinc/09/34/23/281093423.db2.gz QOQJMHRSJYSGAD-ROUUACIJSA-N 2 2 304.503 3.399 20 0 DGADLP Clc1ccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000128104413 431988345 /nfs/dbraw/zinc/98/83/45/431988345.db2.gz XOMOADIXYPAJKW-UHFFFAOYSA-N 2 2 308.853 3.183 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000075644854 281254115 /nfs/dbraw/zinc/25/41/15/281254115.db2.gz YYYBBSGMYKZFNJ-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000075644854 281254116 /nfs/dbraw/zinc/25/41/16/281254116.db2.gz YYYBBSGMYKZFNJ-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc2[nH+]cc(CN3C[C@@H](C)[NH2+]Cc4ccccc43)n21 ZINC000415109515 281321275 /nfs/dbraw/zinc/32/12/75/281321275.db2.gz YGEGXQDRMLOMBE-CQSZACIVSA-N 2 2 306.413 3.141 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000173303331 432270138 /nfs/dbraw/zinc/27/01/38/432270138.db2.gz IBNOYQDJCAFEBR-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000173303361 432270410 /nfs/dbraw/zinc/27/04/10/432270410.db2.gz IBNOYQDJCAFEBR-MCIONIFRSA-N 2 2 312.404 3.115 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000151808544 432278119 /nfs/dbraw/zinc/27/81/19/432278119.db2.gz YLNPSZPXTJMNFZ-DYESRHJHSA-N 2 2 324.468 3.065 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000270875001 432297485 /nfs/dbraw/zinc/29/74/85/432297485.db2.gz UUQSNRVTUFARET-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000270875001 432297487 /nfs/dbraw/zinc/29/74/87/432297487.db2.gz UUQSNRVTUFARET-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP C[C@@H](C[NH2+]Cc1cn(C)nc1C1CCCCC1)Cn1cc[nH+]c1 ZINC000183565789 432302908 /nfs/dbraw/zinc/30/29/08/432302908.db2.gz BPPASAVXOFVJHL-HNNXBMFYSA-N 2 2 315.465 3.090 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000270606793 432263148 /nfs/dbraw/zinc/26/31/48/432263148.db2.gz XDIBGVNCCMZYNP-UHFFFAOYSA-N 2 2 321.428 3.045 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1 ZINC000248049288 432263412 /nfs/dbraw/zinc/26/34/12/432263412.db2.gz VXBQQJVQRCPGCM-DOTOQJQBSA-N 3 2 314.477 3.055 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1 ZINC000248049288 432263414 /nfs/dbraw/zinc/26/34/14/432263414.db2.gz VXBQQJVQRCPGCM-DOTOQJQBSA-N 3 2 314.477 3.055 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000248040368 432263550 /nfs/dbraw/zinc/26/35/50/432263550.db2.gz STCORCIJWQWHGF-BQFCYCMXSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248034628 432263887 /nfs/dbraw/zinc/26/38/87/432263887.db2.gz RFZKMAGJVXWWHE-NNFUDEMPSA-N 2 2 302.462 3.009 20 0 DGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000183188807 432267379 /nfs/dbraw/zinc/26/73/79/432267379.db2.gz GUJGRALVHQSPDB-MRXNPFEDSA-N 2 2 314.433 3.012 20 0 DGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000183188807 432267383 /nfs/dbraw/zinc/26/73/83/432267383.db2.gz GUJGRALVHQSPDB-MRXNPFEDSA-N 2 2 314.433 3.012 20 0 DGADLP CCC(CC)(CNCc1c[nH+]cn1C)[NH2+][C@H](C)c1ccccc1 ZINC000152360643 432327439 /nfs/dbraw/zinc/32/74/39/432327439.db2.gz HCBHTBIRAVRPPF-MRXNPFEDSA-N 2 2 314.477 3.419 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccs2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152383265 432329592 /nfs/dbraw/zinc/32/95/92/432329592.db2.gz USYOTFMVXNCVAX-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccs2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152383265 432329598 /nfs/dbraw/zinc/32/95/98/432329598.db2.gz USYOTFMVXNCVAX-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1ncc(-c2cccs2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000152383265 432329601 /nfs/dbraw/zinc/32/96/01/432329601.db2.gz USYOTFMVXNCVAX-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1ncc(-c2cccs2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152383265 432329604 /nfs/dbraw/zinc/32/96/04/432329604.db2.gz USYOTFMVXNCVAX-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP Clc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2c1 ZINC000271121566 432331762 /nfs/dbraw/zinc/33/17/62/432331762.db2.gz KCQZWJDBAIFYON-GFCCVEGCSA-N 2 2 315.808 3.090 20 0 DGADLP Clc1ccc2ncc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2c1 ZINC000271121566 432331763 /nfs/dbraw/zinc/33/17/63/432331763.db2.gz KCQZWJDBAIFYON-GFCCVEGCSA-N 2 2 315.808 3.090 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)[nH]1 ZINC000271118014 432333157 /nfs/dbraw/zinc/33/31/57/432333157.db2.gz IMMPGZQHSQZWII-JSGCOSHPSA-N 2 2 318.446 3.097 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)[nH]1 ZINC000271118014 432333161 /nfs/dbraw/zinc/33/31/61/432333161.db2.gz IMMPGZQHSQZWII-JSGCOSHPSA-N 2 2 318.446 3.097 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000192236562 432348659 /nfs/dbraw/zinc/34/86/59/432348659.db2.gz ZJKOIEUMLTZFOE-UHFFFAOYSA-N 2 2 301.438 3.276 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cncc(F)c1 ZINC000152115882 432304370 /nfs/dbraw/zinc/30/43/70/432304370.db2.gz MDLPMNPJXOYXHL-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835711 432306198 /nfs/dbraw/zinc/30/61/98/432306198.db2.gz UVXIBWFNIULTEP-YLJYHZDGSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835711 432306203 /nfs/dbraw/zinc/30/62/03/432306203.db2.gz UVXIBWFNIULTEP-YLJYHZDGSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248689729 432311988 /nfs/dbraw/zinc/31/19/88/432311988.db2.gz AKXPUGLUVRJGAJ-JEDBISTDSA-N 2 2 323.440 3.481 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000174809881 432373726 /nfs/dbraw/zinc/37/37/26/432373726.db2.gz QRJUJQMWPHBJEQ-GOSISDBHSA-N 2 2 309.413 3.383 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000174809881 432373729 /nfs/dbraw/zinc/37/37/29/432373729.db2.gz QRJUJQMWPHBJEQ-GOSISDBHSA-N 2 2 309.413 3.383 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000153406389 432407106 /nfs/dbraw/zinc/40/71/06/432407106.db2.gz OJNUAFKQJBBQLC-INDMIFKZSA-N 3 2 309.542 3.061 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000153406389 432407108 /nfs/dbraw/zinc/40/71/08/432407108.db2.gz OJNUAFKQJBBQLC-INDMIFKZSA-N 3 2 309.542 3.061 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464621 432377595 /nfs/dbraw/zinc/37/75/95/432377595.db2.gz QSYLODBYQFHBKD-SFHVURJKSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464621 432377598 /nfs/dbraw/zinc/37/75/98/432377598.db2.gz QSYLODBYQFHBKD-SFHVURJKSA-N 2 2 318.436 3.205 20 0 DGADLP Brc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252675295 432385954 /nfs/dbraw/zinc/38/59/54/432385954.db2.gz ZJNRCWJDQISDEK-KBPBESRZSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252675295 432385958 /nfs/dbraw/zinc/38/59/58/432385958.db2.gz ZJNRCWJDQISDEK-KBPBESRZSA-N 2 2 309.251 3.166 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000153156869 432386627 /nfs/dbraw/zinc/38/66/27/432386627.db2.gz XGRNCFSLQCBPFB-NEPJUHHUSA-N 2 2 302.871 3.020 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000192354909 432362957 /nfs/dbraw/zinc/36/29/57/432362957.db2.gz JXAYOHXSOGPCCK-GOSISDBHSA-N 2 2 316.470 3.129 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000192354909 432362962 /nfs/dbraw/zinc/36/29/62/432362962.db2.gz JXAYOHXSOGPCCK-GOSISDBHSA-N 2 2 316.470 3.129 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCO1 ZINC000152893769 432364974 /nfs/dbraw/zinc/36/49/74/432364974.db2.gz JHVKNSOHGKIHIN-KBXCAEBGSA-N 2 2 322.880 3.462 20 0 DGADLP CC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000152897393 432367390 /nfs/dbraw/zinc/36/73/90/432367390.db2.gz ARRJTOQURXEYCN-OAHLLOKOSA-N 2 2 310.869 3.319 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000261553902 432430261 /nfs/dbraw/zinc/43/02/61/432430261.db2.gz OLUYSARBWBPPSX-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000261553902 432430263 /nfs/dbraw/zinc/43/02/63/432430263.db2.gz OLUYSARBWBPPSX-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000192964431 432434623 /nfs/dbraw/zinc/43/46/23/432434623.db2.gz GQUCFJYSBRNLKQ-APWZRJJASA-N 2 2 320.477 3.093 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261618424 432434931 /nfs/dbraw/zinc/43/49/31/432434931.db2.gz DBDLCIYFJLZCKH-KRWDZBQOSA-N 2 2 316.474 3.366 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261618424 432434935 /nfs/dbraw/zinc/43/49/35/432434935.db2.gz DBDLCIYFJLZCKH-KRWDZBQOSA-N 2 2 316.474 3.366 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000261636545 432436361 /nfs/dbraw/zinc/43/63/61/432436361.db2.gz DDZQXGNRUQKKLI-GOSISDBHSA-N 2 2 315.486 3.099 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000261636545 432436367 /nfs/dbraw/zinc/43/63/67/432436367.db2.gz DDZQXGNRUQKKLI-GOSISDBHSA-N 2 2 315.486 3.099 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)n1-c1ccccc1 ZINC000272089957 432443750 /nfs/dbraw/zinc/44/37/50/432443750.db2.gz SUIQISYQFWPTPF-SFHVURJKSA-N 2 2 313.445 3.067 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccccc1C(C)C)C1CC[NH2+]CC1 ZINC000261805526 432453454 /nfs/dbraw/zinc/45/34/54/432453454.db2.gz VCTBOUNVAIWXRI-UHFFFAOYSA-N 2 2 317.477 3.213 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C(C)C)C1CC[NH2+]CC1 ZINC000261805526 432453457 /nfs/dbraw/zinc/45/34/57/432453457.db2.gz VCTBOUNVAIWXRI-UHFFFAOYSA-N 2 2 317.477 3.213 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192872670 432424562 /nfs/dbraw/zinc/42/45/62/432424562.db2.gz YGYWXRPROCQAOF-JKSUJKDBSA-N 2 2 312.461 3.296 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732657 432427200 /nfs/dbraw/zinc/42/72/00/432427200.db2.gz ZYJPHLHZLSEIPF-AWEZNQCLSA-N 2 2 318.490 3.455 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732657 432427205 /nfs/dbraw/zinc/42/72/05/432427205.db2.gz ZYJPHLHZLSEIPF-AWEZNQCLSA-N 2 2 318.490 3.455 20 0 DGADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)C ZINC000272295807 432478668 /nfs/dbraw/zinc/47/86/68/432478668.db2.gz QMDVKXOVFVKKEQ-QGZVFWFLSA-N 2 2 304.482 3.459 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000262496024 432487927 /nfs/dbraw/zinc/48/79/27/432487927.db2.gz LKQQVSDRTAAEGG-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000262496024 432487931 /nfs/dbraw/zinc/48/79/31/432487931.db2.gz LKQQVSDRTAAEGG-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154356590 432492490 /nfs/dbraw/zinc/49/24/90/432492490.db2.gz ZSIBEVDCVRPNGQ-CABCVRRESA-N 2 2 318.383 3.059 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272387093 432492836 /nfs/dbraw/zinc/49/28/36/432492836.db2.gz GFZBFUDRNMXLLG-FFGOWVMKSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387093 432492838 /nfs/dbraw/zinc/49/28/38/432492838.db2.gz GFZBFUDRNMXLLG-FFGOWVMKSA-N 3 2 315.505 3.112 20 0 DGADLP CCC([NH3+])(CC)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262606593 432494235 /nfs/dbraw/zinc/49/42/35/432494235.db2.gz BNPDBFGIEDPTTC-UHFFFAOYSA-N 2 2 313.401 3.121 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2[nH+]1 ZINC000262672693 432497991 /nfs/dbraw/zinc/49/79/91/432497991.db2.gz SIXAJFNMZKLNGP-ZDUSSCGKSA-N 2 2 302.422 3.217 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154591412 432508018 /nfs/dbraw/zinc/50/80/18/432508018.db2.gz IAGHBKOKLPXAHZ-SWLSCSKDSA-N 2 2 316.474 3.258 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154591412 432508020 /nfs/dbraw/zinc/50/80/20/432508020.db2.gz IAGHBKOKLPXAHZ-SWLSCSKDSA-N 2 2 316.474 3.258 20 0 DGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCCC1 ZINC000193941564 432510467 /nfs/dbraw/zinc/51/04/67/432510467.db2.gz YBLPISAPECGHEE-BRWVUGGUSA-N 2 2 306.494 3.188 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000262016218 432467676 /nfs/dbraw/zinc/46/76/76/432467676.db2.gz VRWCGWDJRWHXIR-GOSISDBHSA-N 2 2 310.445 3.163 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cn1 ZINC000262016218 432467678 /nfs/dbraw/zinc/46/76/78/432467678.db2.gz VRWCGWDJRWHXIR-GOSISDBHSA-N 2 2 310.445 3.163 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000262018880 432470756 /nfs/dbraw/zinc/47/07/56/432470756.db2.gz VYAPYBVACIPWFE-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000262018880 432470760 /nfs/dbraw/zinc/47/07/60/432470760.db2.gz VYAPYBVACIPWFE-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP COCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000272509723 432516285 /nfs/dbraw/zinc/51/62/85/432516285.db2.gz GAWGNLBHJVNLMB-INIZCTEOSA-N 2 2 315.417 3.011 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000156750240 432606841 /nfs/dbraw/zinc/60/68/41/432606841.db2.gz YMZZJZZLFLTGMV-IVSAIRAKSA-N 2 2 302.462 3.402 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000156750240 432606844 /nfs/dbraw/zinc/60/68/44/432606844.db2.gz YMZZJZZLFLTGMV-IVSAIRAKSA-N 2 2 302.462 3.402 20 0 DGADLP C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177280576 432607034 /nfs/dbraw/zinc/60/70/34/432607034.db2.gz SRGBFJVOJANEHP-CQSZACIVSA-N 2 2 308.385 3.166 20 0 DGADLP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177280576 432607037 /nfs/dbraw/zinc/60/70/37/432607037.db2.gz SRGBFJVOJANEHP-CQSZACIVSA-N 2 2 308.385 3.166 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000186573359 432608820 /nfs/dbraw/zinc/60/88/20/432608820.db2.gz PJZFKTSDGGFTAF-QFBILLFUSA-N 2 2 314.477 3.227 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000186573359 432608823 /nfs/dbraw/zinc/60/88/23/432608823.db2.gz PJZFKTSDGGFTAF-QFBILLFUSA-N 2 2 314.477 3.227 20 0 DGADLP CCCOc1cccc2c(N3CC[C@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000194721154 432572579 /nfs/dbraw/zinc/57/25/79/432572579.db2.gz KXWBXPHCSXDAIL-INIZCTEOSA-N 2 2 323.440 3.474 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCc2ccccc2C1 ZINC000177173813 432593713 /nfs/dbraw/zinc/59/37/13/432593713.db2.gz UTKDRGQHRRQTRL-IBGZPJMESA-N 2 2 318.424 3.257 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCc2ccccc2C1 ZINC000177173813 432593716 /nfs/dbraw/zinc/59/37/16/432593716.db2.gz UTKDRGQHRRQTRL-IBGZPJMESA-N 2 2 318.424 3.257 20 0 DGADLP C[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156416903 432596042 /nfs/dbraw/zinc/59/60/42/432596042.db2.gz HPIWEYDRDLQRBJ-YJBOKZPZSA-N 2 2 317.408 3.374 20 0 DGADLP C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156416903 432596046 /nfs/dbraw/zinc/59/60/46/432596046.db2.gz HPIWEYDRDLQRBJ-YJBOKZPZSA-N 2 2 317.408 3.374 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000274175268 432636344 /nfs/dbraw/zinc/63/63/44/432636344.db2.gz IBTHZCWFNBFQQM-MGPQQGTHSA-N 2 2 312.417 3.277 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000274233372 432641350 /nfs/dbraw/zinc/64/13/50/432641350.db2.gz PROJZVMWRQARRU-RYUDHWBXSA-N 2 2 313.430 3.444 20 0 DGADLP CCC1(CC)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCS1 ZINC000274302352 432648813 /nfs/dbraw/zinc/64/88/13/432648813.db2.gz JULICKYZSYBNKS-UHFFFAOYSA-N 2 2 316.474 3.375 20 0 DGADLP CCC1(CC)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCS1 ZINC000274302352 432648818 /nfs/dbraw/zinc/64/88/18/432648818.db2.gz JULICKYZSYBNKS-UHFFFAOYSA-N 2 2 316.474 3.375 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccsc1 ZINC000178169106 432701426 /nfs/dbraw/zinc/70/14/26/432701426.db2.gz ZTGCRWYJJWOEJV-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000178253926 432712144 /nfs/dbraw/zinc/71/21/44/432712144.db2.gz TZXJLWUGNIFOPB-CYBMUJFWSA-N 2 2 306.425 3.359 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000178284792 432715359 /nfs/dbraw/zinc/71/53/59/432715359.db2.gz GMSRJFFODAKBIN-PBHICJAKSA-N 2 2 319.836 3.043 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000178284792 432715361 /nfs/dbraw/zinc/71/53/61/432715361.db2.gz GMSRJFFODAKBIN-PBHICJAKSA-N 2 2 319.836 3.043 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCCS2 ZINC000187840527 432688615 /nfs/dbraw/zinc/68/86/15/432688615.db2.gz QZWCTSNCLBILQS-CZUORRHYSA-N 2 2 306.475 3.306 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCCS2 ZINC000187840527 432688621 /nfs/dbraw/zinc/68/86/21/432688621.db2.gz QZWCTSNCLBILQS-CZUORRHYSA-N 2 2 306.475 3.306 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)c2cn(C)nc2C)[NH+](C)C)cc1 ZINC000178060781 432689679 /nfs/dbraw/zinc/68/96/79/432689679.db2.gz JMHFXAQYURBBKO-IFXJQAMLSA-N 2 2 314.477 3.244 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266055050 432750505 /nfs/dbraw/zinc/75/05/05/432750505.db2.gz ZVDLELRJLTUILK-GJZGRUSLSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266055050 432750510 /nfs/dbraw/zinc/75/05/10/432750510.db2.gz ZVDLELRJLTUILK-GJZGRUSLSA-N 2 2 308.853 3.055 20 0 DGADLP COC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000275849115 432753100 /nfs/dbraw/zinc/75/31/00/432753100.db2.gz KXMLDOBLTUMNHH-KRWDZBQOSA-N 2 2 301.434 3.290 20 0 DGADLP c1sc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000236728233 432760542 /nfs/dbraw/zinc/76/05/42/432760542.db2.gz LYBFMYKNBNCPHR-CQSZACIVSA-N 2 2 313.470 3.384 20 0 DGADLP c1sc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000236728233 432760545 /nfs/dbraw/zinc/76/05/45/432760545.db2.gz LYBFMYKNBNCPHR-CQSZACIVSA-N 2 2 313.470 3.384 20 0 DGADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000236842792 432766967 /nfs/dbraw/zinc/76/69/67/432766967.db2.gz GREOCUBBIJURMC-CYBMUJFWSA-N 2 2 300.406 3.286 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670803 432732356 /nfs/dbraw/zinc/73/23/56/432732356.db2.gz QPOKLRPWYGGAHL-CYBMUJFWSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670803 432732358 /nfs/dbraw/zinc/73/23/58/432732358.db2.gz QPOKLRPWYGGAHL-CYBMUJFWSA-N 2 2 305.447 3.285 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178433997 432734877 /nfs/dbraw/zinc/73/48/77/432734877.db2.gz OTZYUXMSLANIMS-RHSMWYFYSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000276596704 432820884 /nfs/dbraw/zinc/82/08/84/432820884.db2.gz ANMWKXHUDKBYLQ-YOEHRIQHSA-N 2 2 301.434 3.318 20 0 DGADLP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276227232 432786451 /nfs/dbraw/zinc/78/64/51/432786451.db2.gz JWHMCBANHJAQNU-ZDUSSCGKSA-N 2 2 324.350 3.430 20 0 DGADLP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276227232 432786453 /nfs/dbraw/zinc/78/64/53/432786453.db2.gz JWHMCBANHJAQNU-ZDUSSCGKSA-N 2 2 324.350 3.430 20 0 DGADLP C[N@@H+](Cc1ccc(F)cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276292303 432792948 /nfs/dbraw/zinc/79/29/48/432792948.db2.gz VXNQGRKUCPLMDV-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccc(F)cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276292303 432792951 /nfs/dbraw/zinc/79/29/51/432792951.db2.gz VXNQGRKUCPLMDV-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)cn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276292303 432792953 /nfs/dbraw/zinc/79/29/53/432792953.db2.gz VXNQGRKUCPLMDV-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276292303 432792955 /nfs/dbraw/zinc/79/29/55/432792955.db2.gz VXNQGRKUCPLMDV-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000277576055 432862074 /nfs/dbraw/zinc/86/20/74/432862074.db2.gz SXZXGCYZPXMSEZ-AWEZNQCLSA-N 2 2 318.490 3.189 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000277576055 432862077 /nfs/dbraw/zinc/86/20/77/432862077.db2.gz SXZXGCYZPXMSEZ-AWEZNQCLSA-N 2 2 318.490 3.189 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2F)CCCO1 ZINC000277609846 432864423 /nfs/dbraw/zinc/86/44/23/432864423.db2.gz ARYBBWGFUQECOR-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2F)CCCO1 ZINC000277609846 432864426 /nfs/dbraw/zinc/86/44/26/432864426.db2.gz ARYBBWGFUQECOR-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646897 432867274 /nfs/dbraw/zinc/86/72/74/432867274.db2.gz HYPROIQOQHIPQQ-ZDUSSCGKSA-N 2 2 315.383 3.264 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646897 432867276 /nfs/dbraw/zinc/86/72/76/432867276.db2.gz HYPROIQOQHIPQQ-ZDUSSCGKSA-N 2 2 315.383 3.264 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646897 432867279 /nfs/dbraw/zinc/86/72/79/432867279.db2.gz HYPROIQOQHIPQQ-ZDUSSCGKSA-N 2 2 315.383 3.264 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646897 432867282 /nfs/dbraw/zinc/86/72/82/432867282.db2.gz HYPROIQOQHIPQQ-ZDUSSCGKSA-N 2 2 315.383 3.264 20 0 DGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000296182673 432881436 /nfs/dbraw/zinc/88/14/36/432881436.db2.gz YDQGGMTTZWUSQB-QGZVFWFLSA-N 2 2 311.433 3.006 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000296200127 432882645 /nfs/dbraw/zinc/88/26/45/432882645.db2.gz YYBAXIKBNLKZSP-IMJJTQAJSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000296200127 432882646 /nfs/dbraw/zinc/88/26/46/432882646.db2.gz YYBAXIKBNLKZSP-IMJJTQAJSA-N 2 2 305.853 3.329 20 0 DGADLP CC[N@H+](C[C@H]1CCSC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000278409445 432894891 /nfs/dbraw/zinc/89/48/91/432894891.db2.gz GXOOQXCNUJGJOH-QGZVFWFLSA-N 2 2 319.518 3.373 20 0 DGADLP CC[N@@H+](C[C@H]1CCSC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000278409445 432894893 /nfs/dbraw/zinc/89/48/93/432894893.db2.gz GXOOQXCNUJGJOH-QGZVFWFLSA-N 2 2 319.518 3.373 20 0 DGADLP Oc1ccc(C[N@H+](Cc2cccc3[nH+]ccn32)CC2CC2)cc1 ZINC000289180000 432930312 /nfs/dbraw/zinc/93/03/12/432930312.db2.gz AKUOIXJZXYEJTI-UHFFFAOYSA-N 2 2 307.397 3.452 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000289280764 432940055 /nfs/dbraw/zinc/94/00/55/432940055.db2.gz GARXLHCXWFJNQQ-UHFFFAOYSA-N 2 2 308.429 3.324 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCn3cc[nH+]c3)nc2c1 ZINC000289343223 432947301 /nfs/dbraw/zinc/94/73/01/432947301.db2.gz MDLHEFREWVZOOB-QGZVFWFLSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCn3cc[nH+]c3)nc2c1 ZINC000289343223 432947304 /nfs/dbraw/zinc/94/73/04/432947304.db2.gz MDLHEFREWVZOOB-QGZVFWFLSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCn3cc[nH+]c3)[nH]c2c1 ZINC000289343223 432947307 /nfs/dbraw/zinc/94/73/07/432947307.db2.gz MDLHEFREWVZOOB-QGZVFWFLSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@H+]3CCCn3cc[nH+]c3)[nH]c2c1 ZINC000289343223 432947309 /nfs/dbraw/zinc/94/73/09/432947309.db2.gz MDLHEFREWVZOOB-QGZVFWFLSA-N 2 2 309.417 3.295 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440386 432907698 /nfs/dbraw/zinc/90/76/98/432907698.db2.gz MPJYRVCSSDBDRW-LZQZEXGQSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440386 432907700 /nfs/dbraw/zinc/90/77/00/432907700.db2.gz MPJYRVCSSDBDRW-LZQZEXGQSA-N 2 2 324.472 3.389 20 0 DGADLP COc1ccc(C[N@H+](C)CCCc2c[nH+]ccc2C)c(OC)c1 ZINC000288993746 432911220 /nfs/dbraw/zinc/91/12/20/432911220.db2.gz DJGHJHBQXIVEEU-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP COc1ccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)c(OC)c1 ZINC000288993746 432911223 /nfs/dbraw/zinc/91/12/23/432911223.db2.gz DJGHJHBQXIVEEU-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP CCC(=O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000289013293 432912394 /nfs/dbraw/zinc/91/23/94/432912394.db2.gz AFQXVFCUHLDSTJ-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP CCC(=O)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000289013293 432912396 /nfs/dbraw/zinc/91/23/96/432912396.db2.gz AFQXVFCUHLDSTJ-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP CCC(=O)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289013293 432912398 /nfs/dbraw/zinc/91/23/98/432912398.db2.gz AFQXVFCUHLDSTJ-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP CCC(=O)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289013293 432912399 /nfs/dbraw/zinc/91/23/99/432912399.db2.gz AFQXVFCUHLDSTJ-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000289019204 432913499 /nfs/dbraw/zinc/91/34/99/432913499.db2.gz ANXDAACZNVYJJT-IBGZPJMESA-N 3 2 301.478 3.273 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000289019204 432913502 /nfs/dbraw/zinc/91/35/02/432913502.db2.gz ANXDAACZNVYJJT-IBGZPJMESA-N 3 2 301.478 3.273 20 0 DGADLP Cc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000278907126 432914894 /nfs/dbraw/zinc/91/48/94/432914894.db2.gz PZTDWTKGKPFVHI-UHFFFAOYSA-N 2 2 316.474 3.364 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137985 432972736 /nfs/dbraw/zinc/97/27/36/432972736.db2.gz AQSJSXQIBROYDT-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137985 432972740 /nfs/dbraw/zinc/97/27/40/432972740.db2.gz AQSJSXQIBROYDT-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137985 432972745 /nfs/dbraw/zinc/97/27/45/432972745.db2.gz AQSJSXQIBROYDT-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137985 432972748 /nfs/dbraw/zinc/97/27/48/432972748.db2.gz AQSJSXQIBROYDT-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP CCn1nc(C[NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc21 ZINC000349664378 432988091 /nfs/dbraw/zinc/98/80/91/432988091.db2.gz GZUKYEKCDATCEH-UHFFFAOYSA-N 2 2 314.477 3.268 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cn1 ZINC000279673896 432991285 /nfs/dbraw/zinc/99/12/85/432991285.db2.gz IBQLEPDPCAPQRA-FPMFFAJLSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cn1 ZINC000279673896 432991289 /nfs/dbraw/zinc/99/12/89/432991289.db2.gz IBQLEPDPCAPQRA-FPMFFAJLSA-N 2 2 324.266 3.122 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686629 432992708 /nfs/dbraw/zinc/99/27/08/432992708.db2.gz WPJDRDZMEPXZMC-VYDXJSESSA-N 2 2 304.482 3.114 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686629 432992714 /nfs/dbraw/zinc/99/27/14/432992714.db2.gz WPJDRDZMEPXZMC-VYDXJSESSA-N 2 2 304.482 3.114 20 0 DGADLP CC(C)n1nccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000279840692 432994717 /nfs/dbraw/zinc/99/47/17/432994717.db2.gz HMZWNSYDSAFMQJ-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP CC(C)n1nccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000279840692 432994722 /nfs/dbraw/zinc/99/47/22/432994722.db2.gz HMZWNSYDSAFMQJ-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000290137950 433000710 /nfs/dbraw/zinc/00/07/10/433000710.db2.gz MGUUMGXJEKXONP-KGLIPLIRSA-N 2 2 312.417 3.157 20 0 DGADLP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CCCC2)o1 ZINC000349452062 432963994 /nfs/dbraw/zinc/96/39/94/432963994.db2.gz NJLYJSTVMMAGGF-IBGZPJMESA-N 2 2 320.477 3.256 20 0 DGADLP CC(C)(C)Oc1cccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000332424681 433006340 /nfs/dbraw/zinc/00/63/40/433006340.db2.gz BGHOTKWFXCOFDV-UHFFFAOYSA-N 2 2 314.433 3.362 20 0 DGADLP CC(C)(C)Oc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000332424681 433006345 /nfs/dbraw/zinc/00/63/45/433006345.db2.gz BGHOTKWFXCOFDV-UHFFFAOYSA-N 2 2 314.433 3.362 20 0 DGADLP CCOc1cc(C[NH2+]CCc2cc[nH+]cc2C)cc(Cl)c1O ZINC000297688887 433007314 /nfs/dbraw/zinc/00/73/14/433007314.db2.gz PTCKDOLJZLGDAZ-UHFFFAOYSA-N 2 2 320.820 3.480 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000349798130 433010846 /nfs/dbraw/zinc/01/08/46/433010846.db2.gz DPUICXKWVUYDHJ-DNVCBOLYSA-N 2 2 316.489 3.239 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000341269965 433010929 /nfs/dbraw/zinc/01/09/29/433010929.db2.gz USMBERTZSHGREI-JCHJZTRSSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000341269965 433010933 /nfs/dbraw/zinc/01/09/33/433010933.db2.gz USMBERTZSHGREI-JCHJZTRSSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766178 433014981 /nfs/dbraw/zinc/01/49/81/433014981.db2.gz OZFXKKFYIMIHKE-BHIYHBOVSA-N 2 2 324.472 3.043 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766178 433014983 /nfs/dbraw/zinc/01/49/83/433014983.db2.gz OZFXKKFYIMIHKE-BHIYHBOVSA-N 2 2 324.472 3.043 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000297867339 433025895 /nfs/dbraw/zinc/02/58/95/433025895.db2.gz UUGPLGFPSQANPF-HNNXBMFYSA-N 2 2 304.438 3.022 20 0 DGADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)[C@H](C)C2CC2)cc1 ZINC000297880196 433027654 /nfs/dbraw/zinc/02/76/54/433027654.db2.gz QHTAOJYNLKQMTN-OAHLLOKOSA-N 2 2 313.445 3.272 20 0 DGADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)[C@H](C)C2CC2)cc1 ZINC000297880196 433027657 /nfs/dbraw/zinc/02/76/57/433027657.db2.gz QHTAOJYNLKQMTN-OAHLLOKOSA-N 2 2 313.445 3.272 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)CCC2 ZINC000341407394 433050127 /nfs/dbraw/zinc/05/01/27/433050127.db2.gz QRMTVQKKBNPKDV-WNRNVDISSA-N 2 2 317.477 3.254 20 0 DGADLP COc1c(C)cnc(C[N@H+](C)CCCc2c[nH+]ccc2C)c1C ZINC000290446516 433053728 /nfs/dbraw/zinc/05/37/28/433053728.db2.gz SPEIUOKKBNNEEI-UHFFFAOYSA-N 2 2 313.445 3.475 20 0 DGADLP COc1c(C)cnc(C[N@@H+](C)CCCc2c[nH+]ccc2C)c1C ZINC000290446516 433053730 /nfs/dbraw/zinc/05/37/30/433053730.db2.gz SPEIUOKKBNNEEI-UHFFFAOYSA-N 2 2 313.445 3.475 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC000290485316 433062415 /nfs/dbraw/zinc/06/24/15/433062415.db2.gz VORLBSFWQOTULS-SFHVURJKSA-N 2 2 320.383 3.098 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)n1C ZINC000419752064 433068092 /nfs/dbraw/zinc/06/80/92/433068092.db2.gz VWYLJGQFUVDPPA-JOCQHMNTSA-N 2 2 318.852 3.175 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446755068 433100517 /nfs/dbraw/zinc/10/05/17/433100517.db2.gz RYOPVCHNSALANB-MPGHIAIKSA-N 2 2 308.441 3.366 20 0 DGADLP Cc1csc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000341473258 433079820 /nfs/dbraw/zinc/07/98/20/433079820.db2.gz INFUVIQVGPCRAR-AWEZNQCLSA-N 2 2 316.474 3.162 20 0 DGADLP Cc1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341476853 433083696 /nfs/dbraw/zinc/08/36/96/433083696.db2.gz GDSBQUAMYLPPEW-CQSZACIVSA-N 2 2 302.466 3.586 20 0 DGADLP Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341476853 433083704 /nfs/dbraw/zinc/08/37/04/433083704.db2.gz GDSBQUAMYLPPEW-CQSZACIVSA-N 2 2 302.466 3.586 20 0 DGADLP Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000341483960 433087532 /nfs/dbraw/zinc/08/75/32/433087532.db2.gz KEDBJZYXNDGJNP-HNNXBMFYSA-N 2 2 302.466 3.729 20 0 DGADLP Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000341483960 433087542 /nfs/dbraw/zinc/08/75/42/433087542.db2.gz KEDBJZYXNDGJNP-HNNXBMFYSA-N 2 2 302.466 3.729 20 0 DGADLP Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)nc(C(C)C)[nH+]1 ZINC000341486972 433090284 /nfs/dbraw/zinc/09/02/84/433090284.db2.gz WQWGHHSCGXLHBY-UHFFFAOYSA-N 2 2 312.461 3.625 20 0 DGADLP Cc1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341491106 433090509 /nfs/dbraw/zinc/09/05/09/433090509.db2.gz CWXYMMDBWMNWDT-QAPCUYQASA-N 2 2 322.456 3.910 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000290655724 433128719 /nfs/dbraw/zinc/12/87/19/433128719.db2.gz KJSCEGDYVLHNHR-DFQSSKMNSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000290655724 433128725 /nfs/dbraw/zinc/12/87/25/433128725.db2.gz KJSCEGDYVLHNHR-DFQSSKMNSA-N 2 2 324.472 3.108 20 0 DGADLP CC(C)c1nc(N2CCC[C@H](CC[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420235529 433131052 /nfs/dbraw/zinc/13/10/52/433131052.db2.gz CPVAAJWACVFHJM-CQSZACIVSA-N 2 2 304.482 3.463 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000373234528 433137778 /nfs/dbraw/zinc/13/77/78/433137778.db2.gz WIJFHGYSXUYFHN-INIZCTEOSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000373234528 433137789 /nfs/dbraw/zinc/13/77/89/433137789.db2.gz WIJFHGYSXUYFHN-INIZCTEOSA-N 2 2 321.428 3.190 20 0 DGADLP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000425280901 433143312 /nfs/dbraw/zinc/14/33/12/433143312.db2.gz YQUFSWAGTJZGOH-RBUKOAKNSA-N 2 2 322.456 3.113 20 0 DGADLP Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000425280901 433143323 /nfs/dbraw/zinc/14/33/23/433143323.db2.gz YQUFSWAGTJZGOH-RBUKOAKNSA-N 2 2 322.456 3.113 20 0 DGADLP CC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@@H](C)O ZINC000361393462 433147239 /nfs/dbraw/zinc/14/72/39/433147239.db2.gz XBWHAYDHSATFDT-OAHLLOKOSA-N 2 2 303.450 3.218 20 0 DGADLP CC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@@H](C)O ZINC000361393462 433147250 /nfs/dbraw/zinc/14/72/50/433147250.db2.gz XBWHAYDHSATFDT-OAHLLOKOSA-N 2 2 303.450 3.218 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295076 433148754 /nfs/dbraw/zinc/14/87/54/433148754.db2.gz URTYYOZCHMDDEH-ZIAGYGMSSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295076 433148759 /nfs/dbraw/zinc/14/87/59/433148759.db2.gz URTYYOZCHMDDEH-ZIAGYGMSSA-N 2 2 318.852 3.085 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000354565743 433149463 /nfs/dbraw/zinc/14/94/63/433149463.db2.gz HUXRJAKRHHGJQT-HXUWFJFHSA-N 2 2 310.441 3.266 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCO[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000354565743 433149471 /nfs/dbraw/zinc/14/94/71/433149471.db2.gz HUXRJAKRHHGJQT-HXUWFJFHSA-N 2 2 310.441 3.266 20 0 DGADLP CO[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)cc1 ZINC000354473255 433102971 /nfs/dbraw/zinc/10/29/71/433102971.db2.gz XNYJCOIFTSABOT-GOSISDBHSA-N 2 2 302.393 3.439 20 0 DGADLP COc1ccc(O[C@@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354475761 433103123 /nfs/dbraw/zinc/10/31/23/433103123.db2.gz LFTSFDCTKVXXDV-INIZCTEOSA-N 2 2 314.429 3.388 20 0 DGADLP Cc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510040 433103170 /nfs/dbraw/zinc/10/31/70/433103170.db2.gz XVGYHQBVSNBCOS-GOSISDBHSA-N 2 2 322.456 3.739 20 0 DGADLP Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510040 433103179 /nfs/dbraw/zinc/10/31/79/433103179.db2.gz XVGYHQBVSNBCOS-GOSISDBHSA-N 2 2 322.456 3.739 20 0 DGADLP Cc1cc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341508706 433103620 /nfs/dbraw/zinc/10/36/20/433103620.db2.gz WMSDWDCBDGNEBI-HUUCEWRRSA-N 2 2 316.493 3.832 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822285 433109849 /nfs/dbraw/zinc/10/98/49/433109849.db2.gz VYPBXJLNJAFHPX-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822285 433109861 /nfs/dbraw/zinc/10/98/61/433109861.db2.gz VYPBXJLNJAFHPX-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccccc1CCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420308742 433155379 /nfs/dbraw/zinc/15/53/79/433155379.db2.gz DCGVTNFPPGUKPF-RBUKOAKNSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccccc1CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420308742 433155385 /nfs/dbraw/zinc/15/53/85/433155385.db2.gz DCGVTNFPPGUKPF-RBUKOAKNSA-N 2 2 310.441 3.055 20 0 DGADLP COc1cccc(COCC[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354573785 433161519 /nfs/dbraw/zinc/16/15/19/433161519.db2.gz NZUOEGAVSHQMLI-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)O1 ZINC000453411268 433166166 /nfs/dbraw/zinc/16/61/66/433166166.db2.gz QORIIGDCOFUCJJ-RDTXWAMCSA-N 2 2 322.880 3.462 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000354582555 433166475 /nfs/dbraw/zinc/16/64/75/433166475.db2.gz HPAFULXFTWHQFM-CABCVRRESA-N 2 2 308.466 3.127 20 0 DGADLP FC1(F)CC(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000453422584 433175295 /nfs/dbraw/zinc/17/52/95/433175295.db2.gz MULKXTCAVWAPKJ-UHFFFAOYSA-N 2 2 309.404 3.071 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000420357859 433176890 /nfs/dbraw/zinc/17/68/90/433176890.db2.gz DUTGHUBDXGKHPT-JMSVASOKSA-N 2 2 316.367 3.104 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000298571606 433179778 /nfs/dbraw/zinc/17/97/78/433179778.db2.gz DMRWAZAZVHCWPM-CVEARBPZSA-N 2 2 317.452 3.142 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000298571606 433179788 /nfs/dbraw/zinc/17/97/88/433179788.db2.gz DMRWAZAZVHCWPM-CVEARBPZSA-N 2 2 317.452 3.142 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000361457261 433181429 /nfs/dbraw/zinc/18/14/29/433181429.db2.gz RFIVDXFPGSHCCN-SECBINFHSA-N 2 2 306.294 3.191 20 0 DGADLP CCc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298575896 433184822 /nfs/dbraw/zinc/18/48/22/433184822.db2.gz XIIBKKLLHGAVMZ-GOSISDBHSA-N 2 2 300.446 3.289 20 0 DGADLP CC1(C)C[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000453439686 433185522 /nfs/dbraw/zinc/18/55/22/433185522.db2.gz VWYCJSDJPAYSSC-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000453439686 433185536 /nfs/dbraw/zinc/18/55/36/433185536.db2.gz VWYCJSDJPAYSSC-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]CCCc1ccc(C)[nH+]c1)C(C)C ZINC000354639202 433192207 /nfs/dbraw/zinc/19/22/07/433192207.db2.gz RVHPVGCIJPSLBM-SFHVURJKSA-N 2 2 306.450 3.280 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)n1-c1ccccc1 ZINC000453585793 433217912 /nfs/dbraw/zinc/21/79/12/433217912.db2.gz UERBNFPDFMVNNH-INIZCTEOSA-N 2 2 313.445 3.476 20 0 DGADLP CC(C)n1cncc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000425387439 433218330 /nfs/dbraw/zinc/21/83/30/433218330.db2.gz VCUFASHZPNUWAG-UHFFFAOYSA-N 2 2 315.465 3.353 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(F)c1 ZINC000291064979 433221478 /nfs/dbraw/zinc/22/14/78/433221478.db2.gz DKAGFIHONDCQOD-UHFFFAOYSA-N 2 2 322.321 3.471 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)COC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000337334936 433222441 /nfs/dbraw/zinc/22/24/41/433222441.db2.gz LBSZUWHDPQIEEI-QFBILLFUSA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)COC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000337334936 433222448 /nfs/dbraw/zinc/22/24/48/433222448.db2.gz LBSZUWHDPQIEEI-QFBILLFUSA-N 2 2 304.478 3.226 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)nc1 ZINC000453609025 433235078 /nfs/dbraw/zinc/23/50/78/433235078.db2.gz ZJYCVGLSOBCKFD-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)nc1 ZINC000453609025 433235087 /nfs/dbraw/zinc/23/50/87/433235087.db2.gz ZJYCVGLSOBCKFD-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566365 433248166 /nfs/dbraw/zinc/24/81/66/433248166.db2.gz PZGYRISMNYNHHA-FUHWJXTLSA-N 2 2 318.509 3.231 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566365 433248175 /nfs/dbraw/zinc/24/81/75/433248175.db2.gz PZGYRISMNYNHHA-FUHWJXTLSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566365 433248186 /nfs/dbraw/zinc/24/81/86/433248186.db2.gz PZGYRISMNYNHHA-FUHWJXTLSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566365 433248194 /nfs/dbraw/zinc/24/81/94/433248194.db2.gz PZGYRISMNYNHHA-FUHWJXTLSA-N 2 2 318.509 3.231 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341759923 433255357 /nfs/dbraw/zinc/25/53/57/433255357.db2.gz WINGTNNLFYESRO-KHYOSLBOSA-N 2 2 320.452 3.292 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341759923 433255368 /nfs/dbraw/zinc/25/53/68/433255368.db2.gz WINGTNNLFYESRO-KHYOSLBOSA-N 2 2 320.452 3.292 20 0 DGADLP CCCC[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCCC[C@H]1OC ZINC000425373983 433211033 /nfs/dbraw/zinc/21/10/33/433211033.db2.gz WGQJUCHZUPBYMF-IAGOWNOFSA-N 2 2 322.497 3.046 20 0 DGADLP CCCC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCCC[C@H]1OC ZINC000425373983 433211040 /nfs/dbraw/zinc/21/10/40/433211040.db2.gz WGQJUCHZUPBYMF-IAGOWNOFSA-N 2 2 322.497 3.046 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281178165 433270083 /nfs/dbraw/zinc/27/00/83/433270083.db2.gz ASKOTLUKCSGFNC-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281178165 433270092 /nfs/dbraw/zinc/27/00/92/433270092.db2.gz ASKOTLUKCSGFNC-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000447835434 433292150 /nfs/dbraw/zinc/29/21/50/433292150.db2.gz UBBZWZITPLZWDV-AEFFLSMTSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000447835434 433292166 /nfs/dbraw/zinc/29/21/66/433292166.db2.gz UBBZWZITPLZWDV-AEFFLSMTSA-N 2 2 313.445 3.306 20 0 DGADLP C[C@@H](C1CC1)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420901855 433301908 /nfs/dbraw/zinc/30/19/08/433301908.db2.gz LEXSLTGZXDELMP-INIZCTEOSA-N 2 2 314.473 3.282 20 0 DGADLP C[C@@H](C1CC1)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420901855 433301917 /nfs/dbraw/zinc/30/19/17/433301917.db2.gz LEXSLTGZXDELMP-INIZCTEOSA-N 2 2 314.473 3.282 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905441 433303585 /nfs/dbraw/zinc/30/35/85/433303585.db2.gz QVAIDGRJQDJFJS-LJQANCHMSA-N 2 2 302.462 3.283 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905441 433303594 /nfs/dbraw/zinc/30/35/94/433303594.db2.gz QVAIDGRJQDJFJS-LJQANCHMSA-N 2 2 302.462 3.283 20 0 DGADLP c1ccc([C@@H]2CC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420904828 433304387 /nfs/dbraw/zinc/30/43/87/433304387.db2.gz COOHGELZNFCJMC-NRFANRHFSA-N 2 2 322.452 3.466 20 0 DGADLP c1ccc([C@@H]2CC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420904828 433304398 /nfs/dbraw/zinc/30/43/98/433304398.db2.gz COOHGELZNFCJMC-NRFANRHFSA-N 2 2 322.452 3.466 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000281500527 433306651 /nfs/dbraw/zinc/30/66/51/433306651.db2.gz XZYZHCNPFZANFL-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000281500527 433306656 /nfs/dbraw/zinc/30/66/56/433306656.db2.gz XZYZHCNPFZANFL-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)c(OC)c1 ZINC000299061243 433309466 /nfs/dbraw/zinc/30/94/66/433309466.db2.gz SVTPJYMQVDGQDH-KRWDZBQOSA-N 2 2 315.417 3.046 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)c(OC)c1 ZINC000299061243 433309476 /nfs/dbraw/zinc/30/94/76/433309476.db2.gz SVTPJYMQVDGQDH-KRWDZBQOSA-N 2 2 315.417 3.046 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448028432 433353011 /nfs/dbraw/zinc/35/30/11/433353011.db2.gz OOJOFDCFDVILST-NXOAAHMSSA-N 2 2 324.509 3.064 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC000448028432 433353021 /nfs/dbraw/zinc/35/30/21/433353021.db2.gz OOJOFDCFDVILST-NXOAAHMSSA-N 2 2 324.509 3.064 20 0 DGADLP C[N@H+](CCC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341917413 433357529 /nfs/dbraw/zinc/35/75/29/433357529.db2.gz DJLUUGPATFRZOT-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[N@@H+](CCC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341917413 433357538 /nfs/dbraw/zinc/35/75/38/433357538.db2.gz DJLUUGPATFRZOT-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CCC1CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341917413 433357543 /nfs/dbraw/zinc/35/75/43/433357543.db2.gz DJLUUGPATFRZOT-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CCC1CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341917413 433357550 /nfs/dbraw/zinc/35/75/50/433357550.db2.gz DJLUUGPATFRZOT-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000341882422 433334654 /nfs/dbraw/zinc/33/46/54/433334654.db2.gz SKTQWOVDBADWSZ-IEGACIPQSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000341882422 433334668 /nfs/dbraw/zinc/33/46/68/433334668.db2.gz SKTQWOVDBADWSZ-IEGACIPQSA-N 2 2 320.864 3.242 20 0 DGADLP Fc1cc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000361865443 433428807 /nfs/dbraw/zinc/42/88/07/433428807.db2.gz NSQRGUMTIOGFMJ-GFCCVEGCSA-N 2 2 323.799 3.461 20 0 DGADLP Fc1cc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000361865443 433428819 /nfs/dbraw/zinc/42/88/19/433428819.db2.gz NSQRGUMTIOGFMJ-GFCCVEGCSA-N 2 2 323.799 3.461 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C2 ZINC000425929136 433379461 /nfs/dbraw/zinc/37/94/61/433379461.db2.gz UFQKOPPPKCYQQQ-LJQANCHMSA-N 2 2 324.468 3.274 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C2 ZINC000425929136 433379466 /nfs/dbraw/zinc/37/94/66/433379466.db2.gz UFQKOPPPKCYQQQ-LJQANCHMSA-N 2 2 324.468 3.274 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000361800869 433397129 /nfs/dbraw/zinc/39/71/29/433397129.db2.gz UTNHXWZOOKMRGV-SFHVURJKSA-N 2 2 312.461 3.011 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000361800869 433397140 /nfs/dbraw/zinc/39/71/40/433397140.db2.gz UTNHXWZOOKMRGV-SFHVURJKSA-N 2 2 312.461 3.011 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000339177191 433415547 /nfs/dbraw/zinc/41/55/47/433415547.db2.gz XDHBWEGSBXLHOP-HUUCEWRRSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000339177189 433417233 /nfs/dbraw/zinc/41/72/33/433417233.db2.gz XDHBWEGSBXLHOP-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000339177189 433417242 /nfs/dbraw/zinc/41/72/42/433417242.db2.gz XDHBWEGSBXLHOP-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP CCc1cc(NCC(C)(C)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000301157239 433435709 /nfs/dbraw/zinc/43/57/09/433435709.db2.gz CKBMGWNULXFSFC-UHFFFAOYSA-N 2 2 313.449 3.101 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170121 433436442 /nfs/dbraw/zinc/43/64/42/433436442.db2.gz BRHPLMWFELDSNN-DSLXNQLJSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170121 433436450 /nfs/dbraw/zinc/43/64/50/433436450.db2.gz BRHPLMWFELDSNN-DSLXNQLJSA-N 2 2 324.472 3.266 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@H]3C3CC3)CC2)c1 ZINC000414192696 433455646 /nfs/dbraw/zinc/45/56/46/433455646.db2.gz MEOAFBCWZXWARO-QUCCMNQESA-N 2 2 313.489 3.462 20 0 DGADLP CC(C)c1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C2CC2)cc1 ZINC000351292907 433457255 /nfs/dbraw/zinc/45/72/55/433457255.db2.gz VTVKJWUZFAQHFW-FQEVSTJZSA-N 2 2 316.489 3.230 20 0 DGADLP CC(C)c1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C2CC2)cc1 ZINC000351292907 433457263 /nfs/dbraw/zinc/45/72/63/433457263.db2.gz VTVKJWUZFAQHFW-FQEVSTJZSA-N 2 2 316.489 3.230 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000351292907 433457267 /nfs/dbraw/zinc/45/72/67/433457267.db2.gz VTVKJWUZFAQHFW-FQEVSTJZSA-N 2 2 316.489 3.230 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000351292907 433457278 /nfs/dbraw/zinc/45/72/78/433457278.db2.gz VTVKJWUZFAQHFW-FQEVSTJZSA-N 2 2 316.489 3.230 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000414208726 433461045 /nfs/dbraw/zinc/46/10/45/433461045.db2.gz MGEXRIBYJHEFGQ-YJBOKZPZSA-N 2 2 304.482 3.036 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000361943026 433461717 /nfs/dbraw/zinc/46/17/17/433461717.db2.gz JHEUDPWLPFTTSE-CYBMUJFWSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000361943026 433461721 /nfs/dbraw/zinc/46/17/21/433461721.db2.gz JHEUDPWLPFTTSE-CYBMUJFWSA-N 2 2 320.234 3.172 20 0 DGADLP C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423013309 290056604 /nfs/dbraw/zinc/05/66/04/290056604.db2.gz FNMHXLHUGKMGSM-MVWHLILJSA-N 2 2 312.816 3.039 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2s1 ZINC000426360902 433473084 /nfs/dbraw/zinc/47/30/84/433473084.db2.gz HFCKSPAGYLLVDW-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc2s1 ZINC000426360902 433473095 /nfs/dbraw/zinc/47/30/95/433473095.db2.gz HFCKSPAGYLLVDW-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc2s1 ZINC000426360902 433473107 /nfs/dbraw/zinc/47/31/07/433473107.db2.gz HFCKSPAGYLLVDW-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc2s1 ZINC000426360902 433473118 /nfs/dbraw/zinc/47/31/18/433473118.db2.gz HFCKSPAGYLLVDW-ZBFHGGJFSA-N 2 2 301.459 3.131 20 0 DGADLP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc(C2CC2)c1 ZINC000421322826 433477788 /nfs/dbraw/zinc/47/77/88/433477788.db2.gz UXUGRJGBRNRUAH-GOSISDBHSA-N 2 2 314.473 3.108 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc(C2CC2)c1 ZINC000421322826 433477796 /nfs/dbraw/zinc/47/77/96/433477796.db2.gz UXUGRJGBRNRUAH-GOSISDBHSA-N 2 2 314.473 3.108 20 0 DGADLP CC(C)(CNc1cc[nH+]c2ccc(Cl)cc12)[NH+]1CCOCC1 ZINC000301280705 433485161 /nfs/dbraw/zinc/48/51/61/433485161.db2.gz MEQFZCXOAYCFND-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1O ZINC000426401381 433484934 /nfs/dbraw/zinc/48/49/34/433484934.db2.gz OYEUNMQMPKZJIP-INIZCTEOSA-N 2 2 320.477 3.043 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000339325839 433516948 /nfs/dbraw/zinc/51/69/48/433516948.db2.gz OYLJTYLNEDTKRJ-WMZOPIPTSA-N 2 2 318.461 3.424 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000421375190 433521786 /nfs/dbraw/zinc/52/17/86/433521786.db2.gz PWXBKDGRYGLPIF-MRXNPFEDSA-N 2 2 312.404 3.083 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381509 433522603 /nfs/dbraw/zinc/52/26/03/433522603.db2.gz WWCIAJXUFFYZAX-FUHWJXTLSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381509 433522619 /nfs/dbraw/zinc/52/26/19/433522619.db2.gz WWCIAJXUFFYZAX-FUHWJXTLSA-N 2 2 302.462 3.107 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]12 ZINC000351476477 433523899 /nfs/dbraw/zinc/52/38/99/433523899.db2.gz KNYJCXFSFBAUND-DIOULYMOSA-N 2 2 317.433 3.118 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]12 ZINC000351476477 433523909 /nfs/dbraw/zinc/52/39/09/433523909.db2.gz KNYJCXFSFBAUND-DIOULYMOSA-N 2 2 317.433 3.118 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414300392 433524522 /nfs/dbraw/zinc/52/45/22/433524522.db2.gz SBVBPALSEYBTDP-YSHGAJCASA-N 2 2 304.478 3.207 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414300392 433524529 /nfs/dbraw/zinc/52/45/29/433524529.db2.gz SBVBPALSEYBTDP-YSHGAJCASA-N 2 2 304.478 3.207 20 0 DGADLP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342215002 433541520 /nfs/dbraw/zinc/54/15/20/433541520.db2.gz MTVWLJLKRNVFGX-MAUKXSAKSA-N 2 2 322.456 3.737 20 0 DGADLP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342215002 433541523 /nfs/dbraw/zinc/54/15/23/433541523.db2.gz MTVWLJLKRNVFGX-MAUKXSAKSA-N 2 2 322.456 3.737 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355208323 433534943 /nfs/dbraw/zinc/53/49/43/433534943.db2.gz HDMDUGMYFKOLAS-QFBILLFUSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355208323 433534949 /nfs/dbraw/zinc/53/49/49/433534949.db2.gz HDMDUGMYFKOLAS-QFBILLFUSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355208323 433534961 /nfs/dbraw/zinc/53/49/61/433534961.db2.gz HDMDUGMYFKOLAS-QFBILLFUSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355208323 433534972 /nfs/dbraw/zinc/53/49/72/433534972.db2.gz HDMDUGMYFKOLAS-QFBILLFUSA-N 2 2 314.473 3.452 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282221017 433536970 /nfs/dbraw/zinc/53/69/70/433536970.db2.gz YRHPHFHIGAEYOQ-AWEZNQCLSA-N 2 2 314.408 3.133 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282221017 433536980 /nfs/dbraw/zinc/53/69/80/433536980.db2.gz YRHPHFHIGAEYOQ-AWEZNQCLSA-N 2 2 314.408 3.133 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000282236226 433539007 /nfs/dbraw/zinc/53/90/07/433539007.db2.gz PRRRYCFBMQRQIT-SFHVURJKSA-N 2 2 302.462 3.057 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000282236226 433539013 /nfs/dbraw/zinc/53/90/13/433539013.db2.gz PRRRYCFBMQRQIT-SFHVURJKSA-N 2 2 302.462 3.057 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293789 433504551 /nfs/dbraw/zinc/50/45/51/433504551.db2.gz PPKCPFYUCBWOMH-CRAIPNDOSA-N 2 2 313.445 3.380 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293789 433504559 /nfs/dbraw/zinc/50/45/59/433504559.db2.gz PPKCPFYUCBWOMH-CRAIPNDOSA-N 2 2 313.445 3.380 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344079 433556898 /nfs/dbraw/zinc/55/68/98/433556898.db2.gz YWYJWRKWXLPSBD-PXNSSMCTSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344079 433556905 /nfs/dbraw/zinc/55/69/05/433556905.db2.gz YWYJWRKWXLPSBD-PXNSSMCTSA-N 2 2 323.484 3.469 20 0 DGADLP CCN(C)c1ccc(CNc2[nH+]ccn2Cc2ccccc2)c[nH+]1 ZINC000351544672 433562604 /nfs/dbraw/zinc/56/26/04/433562604.db2.gz JPIRSCLXNQQEFY-UHFFFAOYSA-N 2 2 321.428 3.395 20 0 DGADLP Clc1cnc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000351549543 433565923 /nfs/dbraw/zinc/56/59/23/433565923.db2.gz CCNFIQPBXTXKMG-UHFFFAOYSA-N 2 2 305.794 3.048 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414365899 433572386 /nfs/dbraw/zinc/57/23/86/433572386.db2.gz NSQPSYHIGTZTOE-OAHLLOKOSA-N 2 2 314.477 3.330 20 0 DGADLP CC[C@@H](CSc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414362250 433572765 /nfs/dbraw/zinc/57/27/65/433572765.db2.gz DSCGLUAJNVTKAY-AWEZNQCLSA-N 2 2 318.490 3.147 20 0 DGADLP Cc1cnn(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000375803962 433574114 /nfs/dbraw/zinc/57/41/14/433574114.db2.gz FYODAFHJYLISTN-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000414373844 433581847 /nfs/dbraw/zinc/58/18/47/433581847.db2.gz SVWMIIPYNOZEKZ-LBPRGKRZSA-N 2 2 321.327 3.111 20 0 DGADLP FC1(F)Oc2cccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000414373844 433581852 /nfs/dbraw/zinc/58/18/52/433581852.db2.gz SVWMIIPYNOZEKZ-LBPRGKRZSA-N 2 2 321.327 3.111 20 0 DGADLP Cc1[nH+]c2ccccn2c1CNc1[nH+]ccn1Cc1ccccc1 ZINC000351570068 433582430 /nfs/dbraw/zinc/58/24/30/433582430.db2.gz XNTNSPRBJWPSML-UHFFFAOYSA-N 2 2 317.396 3.500 20 0 DGADLP COc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301500453 433583247 /nfs/dbraw/zinc/58/32/47/433583247.db2.gz FVJHIRNWHXUGAB-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000339448398 433591062 /nfs/dbraw/zinc/59/10/62/433591062.db2.gz PRXIYKALDLMLIV-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000339448398 433591068 /nfs/dbraw/zinc/59/10/68/433591068.db2.gz PRXIYKALDLMLIV-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339443977 433591184 /nfs/dbraw/zinc/59/11/84/433591184.db2.gz DGGAOGYCCQCILU-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339443977 433591187 /nfs/dbraw/zinc/59/11/87/433591187.db2.gz DGGAOGYCCQCILU-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351580797 433591635 /nfs/dbraw/zinc/59/16/35/433591635.db2.gz MCCNAZSGIXPYCY-RHSMWYFYSA-N 2 2 322.518 3.293 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351580797 433591650 /nfs/dbraw/zinc/59/16/50/433591650.db2.gz MCCNAZSGIXPYCY-RHSMWYFYSA-N 2 2 322.518 3.293 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339443975 433592668 /nfs/dbraw/zinc/59/26/68/433592668.db2.gz DGGAOGYCCQCILU-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339443975 433592680 /nfs/dbraw/zinc/59/26/80/433592680.db2.gz DGGAOGYCCQCILU-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP CCN(CC)c1ccc(NCc2ncc(C[NH+](C)C)s2)c[nH+]1 ZINC000351638825 433634285 /nfs/dbraw/zinc/63/42/85/433634285.db2.gz AXZAEZVKOWYPTQ-UHFFFAOYSA-N 2 2 319.478 3.058 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098327 433649120 /nfs/dbraw/zinc/64/91/20/433649120.db2.gz AEBVMDFANQWEGI-PBHICJAKSA-N 2 2 320.864 3.313 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098327 433649130 /nfs/dbraw/zinc/64/91/30/433649130.db2.gz AEBVMDFANQWEGI-PBHICJAKSA-N 2 2 320.864 3.313 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000351579866 433595353 /nfs/dbraw/zinc/59/53/53/433595353.db2.gz KQYAMBWLQDYIHY-YOEHRIQHSA-N 2 2 310.869 3.082 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000351579866 433595360 /nfs/dbraw/zinc/59/53/60/433595360.db2.gz KQYAMBWLQDYIHY-YOEHRIQHSA-N 2 2 310.869 3.082 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000356525146 433602808 /nfs/dbraw/zinc/60/28/08/433602808.db2.gz LSLCLIFLRPVAOJ-UHFFFAOYSA-N 2 2 319.408 3.390 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000356525146 433602813 /nfs/dbraw/zinc/60/28/13/433602813.db2.gz LSLCLIFLRPVAOJ-UHFFFAOYSA-N 2 2 319.408 3.390 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C12CCCCC2 ZINC000315867193 292892319 /nfs/dbraw/zinc/89/23/19/292892319.db2.gz IFNGXTTYJHXEAV-DLBZAZTESA-N 2 2 305.466 3.381 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000282444521 433610640 /nfs/dbraw/zinc/61/06/40/433610640.db2.gz FBTDYLAOQZQTLF-FRYIKTPZSA-N 2 2 316.489 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000282444521 433610650 /nfs/dbraw/zinc/61/06/50/433610650.db2.gz FBTDYLAOQZQTLF-FRYIKTPZSA-N 2 2 316.489 3.302 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366212823 292924799 /nfs/dbraw/zinc/92/47/99/292924799.db2.gz XCYLYBILPGRXIC-RHSMWYFYSA-N 2 2 311.429 3.355 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427111977 433657449 /nfs/dbraw/zinc/65/74/49/433657449.db2.gz XVAVRUVHIAGVIZ-MAUKXSAKSA-N 2 2 300.446 3.192 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427111977 433657454 /nfs/dbraw/zinc/65/74/54/433657454.db2.gz XVAVRUVHIAGVIZ-MAUKXSAKSA-N 2 2 300.446 3.192 20 0 DGADLP Cc1cccn2c(CNc3ccc(C[NH+](C)C)cc3F)c[nH+]c12 ZINC000414491225 433659767 /nfs/dbraw/zinc/65/97/67/433659767.db2.gz SVWMYTFZRRTNNM-UHFFFAOYSA-N 2 2 312.392 3.456 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427138212 433661524 /nfs/dbraw/zinc/66/15/24/433661524.db2.gz VWNADXSMYSYEKB-NVXWUHKLSA-N 2 2 313.470 3.302 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427138212 433661533 /nfs/dbraw/zinc/66/15/33/433661533.db2.gz VWNADXSMYSYEKB-NVXWUHKLSA-N 2 2 313.470 3.302 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000376087046 433663939 /nfs/dbraw/zinc/66/39/39/433663939.db2.gz WNPXLLCTKFTPJW-JFIYKMOQSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000376087046 433663944 /nfs/dbraw/zinc/66/39/44/433663944.db2.gz WNPXLLCTKFTPJW-JFIYKMOQSA-N 2 2 316.493 3.053 20 0 DGADLP Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)c2cccc(F)c2[nH+]1 ZINC000301667477 433664931 /nfs/dbraw/zinc/66/49/31/433664931.db2.gz MJAHGIKQYMJISA-CYBMUJFWSA-N 2 2 317.408 3.063 20 0 DGADLP C[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000414507045 433676340 /nfs/dbraw/zinc/67/63/40/433676340.db2.gz ABTNNNVODHFXRY-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000414507045 433676352 /nfs/dbraw/zinc/67/63/52/433676352.db2.gz ABTNNNVODHFXRY-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP Cc1nc(NCCC[N@@H+]2CCc3ccccc3C2)c(C)c(C)[nH+]1 ZINC000301701338 433681782 /nfs/dbraw/zinc/68/17/82/433681782.db2.gz STBDNMCOTDPBBJ-UHFFFAOYSA-N 2 2 310.445 3.262 20 0 DGADLP Cc1nc(NCCC[N@H+]2CCc3ccccc3C2)c(C)c(C)[nH+]1 ZINC000301701338 433681792 /nfs/dbraw/zinc/68/17/92/433681792.db2.gz STBDNMCOTDPBBJ-UHFFFAOYSA-N 2 2 310.445 3.262 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)[C@H](O)C(C)C ZINC000414519391 433683206 /nfs/dbraw/zinc/68/32/06/433683206.db2.gz CFWQMISWRKIUIG-QZTJIDSGSA-N 2 2 301.434 3.066 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n(C2CCCC2)n1 ZINC000449030348 433685664 /nfs/dbraw/zinc/68/56/64/433685664.db2.gz RJQCSCMIXUVYDR-KRWDZBQOSA-N 2 2 316.493 3.306 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n(C2CCCC2)n1 ZINC000449030348 433685670 /nfs/dbraw/zinc/68/56/70/433685670.db2.gz RJQCSCMIXUVYDR-KRWDZBQOSA-N 2 2 316.493 3.306 20 0 DGADLP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n(C2CCCC2)n1 ZINC000449030349 433687010 /nfs/dbraw/zinc/68/70/10/433687010.db2.gz RJQCSCMIXUVYDR-QGZVFWFLSA-N 2 2 316.493 3.306 20 0 DGADLP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n(C2CCCC2)n1 ZINC000449030349 433687021 /nfs/dbraw/zinc/68/70/21/433687021.db2.gz RJQCSCMIXUVYDR-QGZVFWFLSA-N 2 2 316.493 3.306 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000427103677 433649704 /nfs/dbraw/zinc/64/97/04/433649704.db2.gz WOUBCIMTUROCTA-XNRPHZJLSA-N 2 2 323.278 3.236 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000427103677 433649716 /nfs/dbraw/zinc/64/97/16/433649716.db2.gz WOUBCIMTUROCTA-XNRPHZJLSA-N 2 2 323.278 3.236 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098328 433650166 /nfs/dbraw/zinc/65/01/66/433650166.db2.gz AEBVMDFANQWEGI-RHSMWYFYSA-N 2 2 320.864 3.313 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427098328 433650172 /nfs/dbraw/zinc/65/01/72/433650172.db2.gz AEBVMDFANQWEGI-RHSMWYFYSA-N 2 2 320.864 3.313 20 0 DGADLP c1ccc([C@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000367259594 293044888 /nfs/dbraw/zinc/04/48/88/293044888.db2.gz IXVKMZFIFVDUOH-OALUTQOASA-N 2 2 314.473 3.372 20 0 DGADLP CC(=O)N1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)c2ccccc21 ZINC000367297822 293050002 /nfs/dbraw/zinc/05/00/02/293050002.db2.gz ACVMXUFFIPANRO-LJQANCHMSA-N 2 2 323.440 3.410 20 0 DGADLP CC(C)CCn1cccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367416785 293069424 /nfs/dbraw/zinc/06/94/24/293069424.db2.gz YMWZLUYOJNPXGL-UHFFFAOYSA-N 2 2 300.450 3.357 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414534898 433700962 /nfs/dbraw/zinc/70/09/62/433700962.db2.gz HEKDMAYUNWYWBM-SFHVURJKSA-N 2 2 302.462 3.460 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414534898 433700974 /nfs/dbraw/zinc/70/09/74/433700974.db2.gz HEKDMAYUNWYWBM-SFHVURJKSA-N 2 2 302.462 3.460 20 0 DGADLP COC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000345151502 293156153 /nfs/dbraw/zinc/15/61/53/293156153.db2.gz CRNPHXDFQBMXKO-WFASDCNBSA-N 2 2 318.383 3.323 20 0 DGADLP COCCCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659914 433708617 /nfs/dbraw/zinc/70/86/17/433708617.db2.gz CRKJSGYDCUJBMF-MRXNPFEDSA-N 2 2 301.434 3.236 20 0 DGADLP COCCCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659914 433708629 /nfs/dbraw/zinc/70/86/29/433708629.db2.gz CRKJSGYDCUJBMF-MRXNPFEDSA-N 2 2 301.434 3.236 20 0 DGADLP CC(C)c1cc(N2CC[C@H](c3[nH+]ccn3C)C2)nc(C(C)C)[nH+]1 ZINC000372348608 293237279 /nfs/dbraw/zinc/23/72/79/293237279.db2.gz XQUOJSXELXTLJH-AWEZNQCLSA-N 2 2 313.449 3.451 20 0 DGADLP CCOCCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660627 433710748 /nfs/dbraw/zinc/71/07/48/433710748.db2.gz IKDYMIATJJNKRX-MRXNPFEDSA-N 2 2 301.434 3.236 20 0 DGADLP CCOCCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660627 433710754 /nfs/dbraw/zinc/71/07/54/433710754.db2.gz IKDYMIATJJNKRX-MRXNPFEDSA-N 2 2 301.434 3.236 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000373314710 293259525 /nfs/dbraw/zinc/25/95/25/293259525.db2.gz ZYKLFCZTTSHONE-HNNXBMFYSA-N 2 2 317.408 3.397 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502521 293283345 /nfs/dbraw/zinc/28/33/45/293283345.db2.gz YSROKDIKVHPXIV-KXBFYZLASA-N 2 2 323.444 3.336 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502521 293283347 /nfs/dbraw/zinc/28/33/47/293283347.db2.gz YSROKDIKVHPXIV-KXBFYZLASA-N 2 2 323.444 3.336 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000373852344 293323702 /nfs/dbraw/zinc/32/37/02/293323702.db2.gz AOKNNKVUQCJCJE-SJORKVTESA-N 2 2 318.509 3.300 20 0 DGADLP CCCc1nc(C)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000293387542 433721647 /nfs/dbraw/zinc/72/16/47/433721647.db2.gz IRDSIDDGEVPROQ-UHFFFAOYSA-N 2 2 314.433 3.089 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000374359041 293389133 /nfs/dbraw/zinc/38/91/33/293389133.db2.gz HIEJSLAGEKQMJG-UHFFFAOYSA-N 2 2 316.836 3.197 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC13CCOCC3)CCC2 ZINC000374388056 293393582 /nfs/dbraw/zinc/39/35/82/293393582.db2.gz KGMODDSRWOQBFY-JKSUJKDBSA-N 2 2 303.450 3.008 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCOC1 ZINC000356829655 433718330 /nfs/dbraw/zinc/71/83/30/433718330.db2.gz AFFHNBCGRIOCED-WDSOQIARSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301806451 433733783 /nfs/dbraw/zinc/73/37/83/433733783.db2.gz XYUPAWRDETUTQY-DOTOQJQBSA-N 2 2 314.477 3.362 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301806451 433733789 /nfs/dbraw/zinc/73/37/89/433733789.db2.gz XYUPAWRDETUTQY-DOTOQJQBSA-N 2 2 314.477 3.362 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000376429023 433737363 /nfs/dbraw/zinc/73/73/63/433737363.db2.gz STLTXAZGBWZLDM-GFCCVEGCSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000376429023 433737368 /nfs/dbraw/zinc/73/73/68/433737368.db2.gz STLTXAZGBWZLDM-GFCCVEGCSA-N 2 2 324.350 3.214 20 0 DGADLP CC(C)c1nc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889218 433771795 /nfs/dbraw/zinc/77/17/95/433771795.db2.gz RLCVNMOQJPRUHS-AEFFLSMTSA-N 2 2 324.472 3.923 20 0 DGADLP CC(C)c1nc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889218 433771806 /nfs/dbraw/zinc/77/18/06/433771806.db2.gz RLCVNMOQJPRUHS-AEFFLSMTSA-N 2 2 324.472 3.923 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCc4cccnc4CC3)[nH]c2c1 ZINC000421824069 433747912 /nfs/dbraw/zinc/74/79/12/433747912.db2.gz GWPSFGGRZHKFCY-INIZCTEOSA-N 2 2 320.440 3.428 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351853537 433756125 /nfs/dbraw/zinc/75/61/25/433756125.db2.gz ORLAKGFBYOQQRK-GVXVVHGQSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351853537 433756134 /nfs/dbraw/zinc/75/61/34/433756134.db2.gz ORLAKGFBYOQQRK-GVXVVHGQSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000351857411 433759980 /nfs/dbraw/zinc/75/99/80/433759980.db2.gz XRHBGWMVZVGVLN-SDDRHHMPSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000351857411 433759986 /nfs/dbraw/zinc/75/99/86/433759986.db2.gz XRHBGWMVZVGVLN-SDDRHHMPSA-N 2 2 308.376 3.162 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1OCC ZINC000414659070 433775014 /nfs/dbraw/zinc/77/50/14/433775014.db2.gz MRKRUYPBARZUIQ-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1OCC ZINC000414659070 433775025 /nfs/dbraw/zinc/77/50/25/433775025.db2.gz MRKRUYPBARZUIQ-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP Cc1ccc2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)cn2c1 ZINC000283815980 433782583 /nfs/dbraw/zinc/78/25/83/433782583.db2.gz DQXUQOHRAPOKKA-QGZVFWFLSA-N 2 2 314.477 3.100 20 0 DGADLP Cc1ccc2nc(C[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)cn2c1 ZINC000283815980 433782591 /nfs/dbraw/zinc/78/25/91/433782591.db2.gz DQXUQOHRAPOKKA-QGZVFWFLSA-N 2 2 314.477 3.100 20 0 DGADLP COc1ccc2[nH+]c(C)nc(N[C@@H](C)C(C)(C)C[NH+](C)C)c2c1 ZINC000301941749 433802976 /nfs/dbraw/zinc/80/29/76/433802976.db2.gz XABJQGZBPODLPR-LBPRGKRZSA-N 2 2 316.449 3.335 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421915851 433805310 /nfs/dbraw/zinc/80/53/10/433805310.db2.gz INFKKEUHAVNURB-UHFFFAOYSA-N 2 2 305.466 3.217 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000351955570 433816632 /nfs/dbraw/zinc/81/66/32/433816632.db2.gz KCAFXIIXYPKBLD-UHFFFAOYSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351955518 433817569 /nfs/dbraw/zinc/81/75/69/433817569.db2.gz JIWTYMDAYWQOFD-UHFFFAOYSA-N 2 2 324.428 3.048 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000414762491 433818726 /nfs/dbraw/zinc/81/87/26/433818726.db2.gz LFUQFOINYYFUHV-ZDUSSCGKSA-N 2 2 315.280 3.004 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000414762491 433818737 /nfs/dbraw/zinc/81/87/37/433818737.db2.gz LFUQFOINYYFUHV-ZDUSSCGKSA-N 2 2 315.280 3.004 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000414765891 433820525 /nfs/dbraw/zinc/82/05/25/433820525.db2.gz GVDPHSDXTWISTH-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000414765891 433820538 /nfs/dbraw/zinc/82/05/38/433820538.db2.gz GVDPHSDXTWISTH-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866733 433830829 /nfs/dbraw/zinc/83/08/29/433830829.db2.gz LIPBKLILJFBXPV-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866733 433830837 /nfs/dbraw/zinc/83/08/37/433830837.db2.gz LIPBKLILJFBXPV-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866733 433830849 /nfs/dbraw/zinc/83/08/49/433830849.db2.gz LIPBKLILJFBXPV-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866733 433830857 /nfs/dbraw/zinc/83/08/57/433830857.db2.gz LIPBKLILJFBXPV-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866740 433835638 /nfs/dbraw/zinc/83/56/38/433835638.db2.gz LIPBKLILJFBXPV-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866740 433835643 /nfs/dbraw/zinc/83/56/43/433835643.db2.gz LIPBKLILJFBXPV-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866740 433835649 /nfs/dbraw/zinc/83/56/49/433835649.db2.gz LIPBKLILJFBXPV-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000339866740 433835659 /nfs/dbraw/zinc/83/56/59/433835659.db2.gz LIPBKLILJFBXPV-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP CCCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OCC ZINC000414790628 433839742 /nfs/dbraw/zinc/83/97/42/433839742.db2.gz PVOKPDSDZWBNQQ-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP CCCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OCC ZINC000414790628 433839747 /nfs/dbraw/zinc/83/97/47/433839747.db2.gz PVOKPDSDZWBNQQ-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000293722542 433840590 /nfs/dbraw/zinc/84/05/90/433840590.db2.gz VRGANSKSHQCLNK-HNNXBMFYSA-N 2 2 323.440 3.432 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000293728881 433845616 /nfs/dbraw/zinc/84/56/16/433845616.db2.gz GLXFGDOBVKFEMC-UHFFFAOYSA-N 2 2 300.450 3.486 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000293728881 433845625 /nfs/dbraw/zinc/84/56/25/433845625.db2.gz GLXFGDOBVKFEMC-UHFFFAOYSA-N 2 2 300.450 3.486 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000362754587 433847574 /nfs/dbraw/zinc/84/75/74/433847574.db2.gz YBWAKGGZVKWFHM-MJGOQNOKSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000362754587 433847585 /nfs/dbraw/zinc/84/75/85/433847585.db2.gz YBWAKGGZVKWFHM-MJGOQNOKSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754587 433847592 /nfs/dbraw/zinc/84/75/92/433847592.db2.gz YBWAKGGZVKWFHM-MJGOQNOKSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754587 433847599 /nfs/dbraw/zinc/84/75/99/433847599.db2.gz YBWAKGGZVKWFHM-MJGOQNOKSA-N 3 2 318.509 3.168 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000414808643 433850820 /nfs/dbraw/zinc/85/08/20/433850820.db2.gz FOMLUGBWJVEBKD-GOSISDBHSA-N 2 2 313.445 3.364 20 0 DGADLP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414809191 433852515 /nfs/dbraw/zinc/85/25/15/433852515.db2.gz UUTJTULOJPFCOM-UHFFFAOYSA-N 2 2 301.415 3.383 20 0 DGADLP c1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335031 433856065 /nfs/dbraw/zinc/85/60/65/433856065.db2.gz FCFRFFHBWPTHOW-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335031 433856072 /nfs/dbraw/zinc/85/60/72/433856072.db2.gz FCFRFFHBWPTHOW-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335031 433856081 /nfs/dbraw/zinc/85/60/81/433856081.db2.gz FCFRFFHBWPTHOW-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335031 433856085 /nfs/dbraw/zinc/85/60/85/433856085.db2.gz FCFRFFHBWPTHOW-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000377338587 433858792 /nfs/dbraw/zinc/85/87/92/433858792.db2.gz ZGINVPPLPGHDRT-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000377338587 433858802 /nfs/dbraw/zinc/85/88/02/433858802.db2.gz ZGINVPPLPGHDRT-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000377338587 433858812 /nfs/dbraw/zinc/85/88/12/433858812.db2.gz ZGINVPPLPGHDRT-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000377338587 433858817 /nfs/dbraw/zinc/85/88/17/433858817.db2.gz ZGINVPPLPGHDRT-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)on2)cc1 ZINC000357087326 433858954 /nfs/dbraw/zinc/85/89/54/433858954.db2.gz MWSNFYUWHOFNJT-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)on2)cc1 ZINC000357087326 433858963 /nfs/dbraw/zinc/85/89/63/433858963.db2.gz MWSNFYUWHOFNJT-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP CC[NH+](CC)Cc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000302805453 433866909 /nfs/dbraw/zinc/86/69/09/433866909.db2.gz WRALMIFLYDBQLL-UHFFFAOYSA-N 2 2 319.840 3.166 20 0 DGADLP CC[NH+](CC)Cc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000302805453 433866916 /nfs/dbraw/zinc/86/69/16/433866916.db2.gz WRALMIFLYDBQLL-UHFFFAOYSA-N 2 2 319.840 3.166 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000414840613 433878414 /nfs/dbraw/zinc/87/84/14/433878414.db2.gz XIFLVBBPRXADRJ-INIZCTEOSA-N 2 2 324.346 3.417 20 0 DGADLP CCC(CC)[C@H](CNc1nc[nH+]c(N)c1Cl)[NH+]1CCCC1 ZINC000302810396 433870776 /nfs/dbraw/zinc/87/07/76/433870776.db2.gz YNOIFGMKASSJKO-LBPRGKRZSA-N 2 2 311.861 3.025 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@H](C[NH3+])C3CCCCC3)sc2C1 ZINC000414836638 433871781 /nfs/dbraw/zinc/87/17/81/433871781.db2.gz IQQZDFOSTKJKOY-IUODEOHRSA-N 2 2 307.507 3.265 20 0 DGADLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1OC(F)F ZINC000414835836 433872220 /nfs/dbraw/zinc/87/22/20/433872220.db2.gz RXAVMFCTWHRYIM-AWEZNQCLSA-N 2 2 322.355 3.086 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1OC(C)C ZINC000414836458 433872452 /nfs/dbraw/zinc/87/24/52/433872452.db2.gz SMZGAXICYUWEGD-QGZVFWFLSA-N 2 2 314.429 3.272 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414876454 433896367 /nfs/dbraw/zinc/89/63/67/433896367.db2.gz VVIFZPQBLYYNQJ-HNNXBMFYSA-N 2 2 305.466 3.116 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)cc2)cc1 ZINC000414876645 433900710 /nfs/dbraw/zinc/90/07/10/433900710.db2.gz DRHAYBDYNLFZLA-VQTJNVASSA-N 2 2 310.441 3.239 20 0 DGADLP Clc1cc2cccnc2c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422558962 433919557 /nfs/dbraw/zinc/91/95/57/433919557.db2.gz BOIQWOBVNRMYFA-UHFFFAOYSA-N 2 2 301.821 3.216 20 0 DGADLP CC[NH2+]Cc1cccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000422564812 433921942 /nfs/dbraw/zinc/92/19/42/433921942.db2.gz KBNDQOQTSNIYNB-UHFFFAOYSA-N 2 2 312.417 3.130 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295021 433930115 /nfs/dbraw/zinc/93/01/15/433930115.db2.gz GKLXVXPXSBGWKG-BMGJLBJMSA-N 2 2 306.400 3.283 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295021 433930127 /nfs/dbraw/zinc/93/01/27/433930127.db2.gz GKLXVXPXSBGWKG-BMGJLBJMSA-N 2 2 306.400 3.283 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293644 433930299 /nfs/dbraw/zinc/93/02/99/433930299.db2.gz OSNCFBJCEGJLHC-WDSOQIARSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293644 433930311 /nfs/dbraw/zinc/93/03/11/433930311.db2.gz OSNCFBJCEGJLHC-WDSOQIARSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293644 433930321 /nfs/dbraw/zinc/93/03/21/433930321.db2.gz OSNCFBJCEGJLHC-WDSOQIARSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293644 433930330 /nfs/dbraw/zinc/93/03/30/433930330.db2.gz OSNCFBJCEGJLHC-WDSOQIARSA-N 3 2 307.526 3.103 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC000414847096 433878802 /nfs/dbraw/zinc/87/88/02/433878802.db2.gz OEKIMMVVKCMIRK-SFHVURJKSA-N 2 2 308.429 3.476 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)[NH2+]CC)cc1OC ZINC000414950765 433934871 /nfs/dbraw/zinc/93/48/71/433934871.db2.gz GQPHKENPTWQRBF-GFCCVEGCSA-N 2 2 314.857 3.225 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000414855046 433888797 /nfs/dbraw/zinc/88/87/97/433888797.db2.gz VUQNWJIECLSQHJ-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861767 433891247 /nfs/dbraw/zinc/89/12/47/433891247.db2.gz WTUXXSZPJINOGS-QGZVKYPTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861767 433891251 /nfs/dbraw/zinc/89/12/51/433891251.db2.gz WTUXXSZPJINOGS-QGZVKYPTSA-N 3 2 315.505 3.017 20 0 DGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414874201 433894861 /nfs/dbraw/zinc/89/48/61/433894861.db2.gz YSPGRPNDHACDNG-INIZCTEOSA-N 2 2 312.461 3.011 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000414958642 433941675 /nfs/dbraw/zinc/94/16/75/433941675.db2.gz RISFMVHFDVTJRV-FXAWDEMLSA-N 2 2 322.452 3.029 20 0 DGADLP Cc1cc(N)cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000414969198 433944780 /nfs/dbraw/zinc/94/47/80/433944780.db2.gz SLJCHXQVQJCHQU-UHFFFAOYSA-N 2 2 315.383 3.084 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000414969778 433946619 /nfs/dbraw/zinc/94/66/19/433946619.db2.gz UAZQFQBWVVKCJD-OXJNMPFZSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000414969778 433946626 /nfs/dbraw/zinc/94/66/26/433946626.db2.gz UAZQFQBWVVKCJD-OXJNMPFZSA-N 2 2 309.457 3.187 20 0 DGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]([NH3+])CC ZINC000414975761 433949010 /nfs/dbraw/zinc/94/90/10/433949010.db2.gz GZDPDHIEUILHPU-CYBMUJFWSA-N 2 2 315.255 3.065 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726816 433949372 /nfs/dbraw/zinc/94/93/72/433949372.db2.gz GAILOALACROPKN-FCEWJHQRSA-N 3 2 317.521 3.175 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726816 433949381 /nfs/dbraw/zinc/94/93/81/433949381.db2.gz GAILOALACROPKN-FCEWJHQRSA-N 3 2 317.521 3.175 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000414979686 433951981 /nfs/dbraw/zinc/95/19/81/433951981.db2.gz OHFHQXKIXFRLEI-INIZCTEOSA-N 2 2 314.477 3.305 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccncc1F ZINC000340173307 433956370 /nfs/dbraw/zinc/95/63/70/433956370.db2.gz RDFFMTBOCWKZEI-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422732708 433957255 /nfs/dbraw/zinc/95/72/55/433957255.db2.gz QESBJVPFLPIQFN-YDZRNGNQSA-N 3 2 307.526 3.151 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422732708 433957265 /nfs/dbraw/zinc/95/72/65/433957265.db2.gz QESBJVPFLPIQFN-YDZRNGNQSA-N 3 2 307.526 3.151 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285457673 433958208 /nfs/dbraw/zinc/95/82/08/433958208.db2.gz JOBKFVDXTAYQHH-YIONKMFJSA-N 2 2 313.367 3.157 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285457673 433958218 /nfs/dbraw/zinc/95/82/18/433958218.db2.gz JOBKFVDXTAYQHH-YIONKMFJSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ccc(C(F)(F)F)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285457673 433958225 /nfs/dbraw/zinc/95/82/25/433958225.db2.gz JOBKFVDXTAYQHH-YIONKMFJSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ccc(C(F)(F)F)cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285457673 433958237 /nfs/dbraw/zinc/95/82/37/433958237.db2.gz JOBKFVDXTAYQHH-YIONKMFJSA-N 2 2 313.367 3.157 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340181577 433962269 /nfs/dbraw/zinc/96/22/69/433962269.db2.gz QLDCASLRHHENDH-KDOFPFPSSA-N 2 2 301.434 3.282 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000340183240 433965323 /nfs/dbraw/zinc/96/53/23/433965323.db2.gz YLLKMYFOXPYMIF-HKUYNNGSSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000340183240 433965339 /nfs/dbraw/zinc/96/53/39/433965339.db2.gz YLLKMYFOXPYMIF-HKUYNNGSSA-N 2 2 320.440 3.259 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743666 433967300 /nfs/dbraw/zinc/96/73/00/433967300.db2.gz IWGNLPDKJNGVAB-MBOZVWFJSA-N 3 2 315.505 3.190 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422740717 433968381 /nfs/dbraw/zinc/96/83/81/433968381.db2.gz CIUHWLKZNYVUCF-JKSUJKDBSA-N 3 2 324.472 3.370 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422745280 433968590 /nfs/dbraw/zinc/96/85/90/433968590.db2.gz LUCGFEMHSSWWLK-IMFGXOCKSA-N 3 2 315.505 3.319 20 0 DGADLP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415006931 433969519 /nfs/dbraw/zinc/96/95/19/433969519.db2.gz ASVQMUXGEJEYBD-HNNXBMFYSA-N 3 2 323.912 3.412 20 0 DGADLP C[NH+](CCC[N@H+](C)CCCOCC(F)(F)F)Cc1ccco1 ZINC000285498563 433970623 /nfs/dbraw/zinc/97/06/23/433970623.db2.gz CLITYFKCDPDVOW-UHFFFAOYSA-N 2 2 322.371 3.002 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCCOCC(F)(F)F)Cc1ccco1 ZINC000285498563 433970637 /nfs/dbraw/zinc/97/06/37/433970637.db2.gz CLITYFKCDPDVOW-UHFFFAOYSA-N 2 2 322.371 3.002 20 0 DGADLP C[NH+](CCCOCC(F)(F)F)CCC[N@H+](C)Cc1ccco1 ZINC000285498563 433970641 /nfs/dbraw/zinc/97/06/41/433970641.db2.gz CLITYFKCDPDVOW-UHFFFAOYSA-N 2 2 322.371 3.002 20 0 DGADLP C[NH+](CCCOCC(F)(F)F)CCC[N@@H+](C)Cc1ccco1 ZINC000285498563 433970652 /nfs/dbraw/zinc/97/06/52/433970652.db2.gz CLITYFKCDPDVOW-UHFFFAOYSA-N 2 2 322.371 3.002 20 0 DGADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000422745411 433970627 /nfs/dbraw/zinc/97/06/27/433970627.db2.gz VAVIAUDWQZFMJN-YLJYHZDGSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000422746436 433970682 /nfs/dbraw/zinc/97/06/82/433970682.db2.gz WLMKCTWEGVFMRN-YLJYHZDGSA-N 3 2 315.505 3.149 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422752194 433971332 /nfs/dbraw/zinc/97/13/32/433971332.db2.gz ASOGCNYXUVUQNO-XUVXKRRUSA-N 2 2 324.472 3.273 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422748422 433973260 /nfs/dbraw/zinc/97/32/60/433973260.db2.gz UKYVEKQSPRZNQR-XUVXKRRUSA-N 3 2 324.472 3.273 20 0 DGADLP CN(CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757566 433978178 /nfs/dbraw/zinc/97/81/78/433978178.db2.gz JRFZESSHLPEKPW-RTWAWAEBSA-N 2 2 323.484 3.201 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000422758922 433978984 /nfs/dbraw/zinc/97/89/84/433978984.db2.gz JQWQESCHSFCOEG-DUXKGJEZSA-N 2 2 324.468 3.327 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000422761110 433982111 /nfs/dbraw/zinc/98/21/11/433982111.db2.gz MNUIKSGWIKYDTF-GRYCIOLGSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422764780 433983168 /nfs/dbraw/zinc/98/31/68/433983168.db2.gz QHNBZJWLSXKPJT-SGMGOOAPSA-N 2 2 316.367 3.203 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422772333 433986949 /nfs/dbraw/zinc/98/69/49/433986949.db2.gz WXSUJKSUSKWQCX-IAGOWNOFSA-N 2 2 312.461 3.273 20 0 DGADLP CC[C@@H](NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422772456 433987414 /nfs/dbraw/zinc/98/74/14/433987414.db2.gz YRQCHLCRDVWCPB-IXDOHACOSA-N 2 2 309.885 3.063 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772456 433987428 /nfs/dbraw/zinc/98/74/28/433987428.db2.gz YRQCHLCRDVWCPB-IXDOHACOSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1F ZINC000340216935 433988616 /nfs/dbraw/zinc/98/86/16/433988616.db2.gz GNLIXUGUGHDVLA-OLZOCXBDSA-N 2 2 316.424 3.380 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1F ZINC000340216934 433991347 /nfs/dbraw/zinc/99/13/47/433991347.db2.gz GNLIXUGUGHDVLA-CHWSQXEVSA-N 2 2 316.424 3.380 20 0 DGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)cc1 ZINC000422706838 433938116 /nfs/dbraw/zinc/93/81/16/433938116.db2.gz GDTPJKANSUOCGX-MOPGFXCFSA-N 2 2 323.440 3.217 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000414963708 433938787 /nfs/dbraw/zinc/93/87/87/433938787.db2.gz XYBXXWQVQPEYJB-ZANVPECISA-N 2 2 317.658 3.333 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422704380 433939763 /nfs/dbraw/zinc/93/97/63/433939763.db2.gz PODLXYUBXUTUMA-BEFAXECRSA-N 3 2 322.456 3.044 20 0 DGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422707847 433940925 /nfs/dbraw/zinc/94/09/25/433940925.db2.gz IBTPYVMXUVIJOI-SCTDSRPQSA-N 2 2 304.478 3.439 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352255986 434006756 /nfs/dbraw/zinc/00/67/56/434006756.db2.gz FLZXMJXOZOWNAL-CYBMUJFWSA-N 2 2 319.474 3.373 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246953 434012084 /nfs/dbraw/zinc/01/20/84/434012084.db2.gz ZGCWLPHYEDSKME-SLFFLAALSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340246953 434012091 /nfs/dbraw/zinc/01/20/91/434012091.db2.gz ZGCWLPHYEDSKME-SLFFLAALSA-N 2 2 310.441 3.145 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422800367 434015146 /nfs/dbraw/zinc/01/51/46/434015146.db2.gz ZXLOVDQNDWAQBP-RISCZKNCSA-N 2 2 302.340 3.205 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422816801 434026941 /nfs/dbraw/zinc/02/69/41/434026941.db2.gz BLVFKAGAVIFQQJ-QRQLOZEOSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816801 434026948 /nfs/dbraw/zinc/02/69/48/434026948.db2.gz BLVFKAGAVIFQQJ-QRQLOZEOSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422841977 434046971 /nfs/dbraw/zinc/04/69/71/434046971.db2.gz DWBSIAGTHLKORD-UAFMIMERSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833379 434033646 /nfs/dbraw/zinc/03/36/46/434033646.db2.gz GPWMQGHDDJOIRK-UKPHBRMFSA-N 2 2 307.869 3.039 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000422827475 434037459 /nfs/dbraw/zinc/03/74/59/434037459.db2.gz NAAYVHHVYQJLLK-PMACEKPBSA-N 3 2 318.424 3.166 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000305107278 434040313 /nfs/dbraw/zinc/04/03/13/434040313.db2.gz DLLFNERPTJZRGF-NVXWUHKLSA-N 2 2 314.429 3.052 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]C2CCC(C[NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000422836131 434041488 /nfs/dbraw/zinc/04/14/88/434041488.db2.gz ZVILVFWNDYJAJI-LYBXBRPPSA-N 3 2 315.505 3.239 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCOC2(C)C)[NH+]2CCCC2)cc1 ZINC000340219668 433995736 /nfs/dbraw/zinc/99/57/36/433995736.db2.gz XWOBBLIVRZEECL-ROUUACIJSA-N 2 2 302.462 3.289 20 0 DGADLP C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CCCC[NH2+]1 ZINC000422787399 433999464 /nfs/dbraw/zinc/99/94/64/433999464.db2.gz QFDIFJNOUXVDIC-YOEHRIQHSA-N 2 2 315.486 3.473 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422785735 434001293 /nfs/dbraw/zinc/00/12/93/434001293.db2.gz JWVITYBWWFVOQM-ZDUSSCGKSA-N 2 2 322.412 3.355 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1C(F)(F)F ZINC000414434657 293888462 /nfs/dbraw/zinc/88/84/62/293888462.db2.gz QAOJIXLOSCOXAF-CYBMUJFWSA-N 2 2 309.335 3.315 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[NH2+]1 ZINC000414951669 293892291 /nfs/dbraw/zinc/89/22/91/293892291.db2.gz PXVPAXUKIVCETG-KGLIPLIRSA-N 2 2 307.869 3.170 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422860027 434062635 /nfs/dbraw/zinc/06/26/35/434062635.db2.gz KYIIZXZNYXFBAF-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422860027 434062644 /nfs/dbraw/zinc/06/26/44/434062644.db2.gz KYIIZXZNYXFBAF-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414966906 293897434 /nfs/dbraw/zinc/89/74/34/293897434.db2.gz WTUHFFHXZFIGIB-LSDHHAIUSA-N 2 2 305.466 3.115 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422870611 434066321 /nfs/dbraw/zinc/06/63/21/434066321.db2.gz ZATFBCMNAFHMBX-UTKZUKDTSA-N 2 2 324.468 3.491 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(OCC(F)(F)F)c1 ZINC000422866162 434067003 /nfs/dbraw/zinc/06/70/03/434067003.db2.gz PYABIWATXOLKAQ-OCCSQVGLSA-N 2 2 316.367 3.024 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422868757 434067527 /nfs/dbraw/zinc/06/75/27/434067527.db2.gz VVQVGUVUICAPMR-UJWQCDCRSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868757 434067536 /nfs/dbraw/zinc/06/75/36/434067536.db2.gz VVQVGUVUICAPMR-UJWQCDCRSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422867339 434068230 /nfs/dbraw/zinc/06/82/30/434068230.db2.gz RXZDDMNMQXCLMA-UJWQCDCRSA-N 3 2 307.526 3.150 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867339 434068241 /nfs/dbraw/zinc/06/82/41/434068241.db2.gz RXZDDMNMQXCLMA-UJWQCDCRSA-N 3 2 307.526 3.150 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422870612 434068888 /nfs/dbraw/zinc/06/88/88/434068888.db2.gz ZATFBCMNAFHMBX-UWJYYQICSA-N 2 2 324.468 3.491 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422874491 434070160 /nfs/dbraw/zinc/07/01/60/434070160.db2.gz AFDJOYZHWUCSAQ-HNAYVOBHSA-N 2 2 321.424 3.390 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CCCS2)[C@H]2CCC[NH2+]2)cc1 ZINC000422874660 434073204 /nfs/dbraw/zinc/07/32/04/434073204.db2.gz OBEYOJQBUVKXQD-SQNIBIBYSA-N 2 2 320.502 3.364 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422881901 434077112 /nfs/dbraw/zinc/07/71/12/434077112.db2.gz RDYMYRVNUDKVFU-DOXZYTNZSA-N 2 2 322.456 3.378 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)CCO1 ZINC000450283575 434080779 /nfs/dbraw/zinc/08/07/79/434080779.db2.gz JCKULBBFWXETQY-YXOJNZSOSA-N 2 2 314.473 3.275 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)CCO1 ZINC000450283575 434080787 /nfs/dbraw/zinc/08/07/87/434080787.db2.gz JCKULBBFWXETQY-YXOJNZSOSA-N 2 2 314.473 3.275 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422884623 434081799 /nfs/dbraw/zinc/08/17/99/434081799.db2.gz SGLQHYAOSRXNMN-YOEHRIQHSA-N 2 2 303.450 3.045 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000422885821 434084005 /nfs/dbraw/zinc/08/40/05/434084005.db2.gz HGPQEZCAWXQWSJ-UTKZUKDTSA-N 2 2 324.468 3.253 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422892067 434088379 /nfs/dbraw/zinc/08/83/79/434088379.db2.gz LYUPUKXPMKOJDE-MAUKXSAKSA-N 2 2 321.424 3.390 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCC3)CCO1 ZINC000340377618 434091999 /nfs/dbraw/zinc/09/19/99/434091999.db2.gz LXZZSHNYNXASHD-HYVNUMGLSA-N 2 2 303.450 3.343 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422843612 434047802 /nfs/dbraw/zinc/04/78/02/434047802.db2.gz IYIUADAHMCAEIM-YJBOKZPZSA-N 2 2 311.429 3.494 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)[C@H]1CCC[NH2+]1 ZINC000422851200 434051813 /nfs/dbraw/zinc/05/18/13/434051813.db2.gz WNXBAIXSWCSPTC-SUMWQHHRSA-N 2 2 315.392 3.243 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000305170969 434055589 /nfs/dbraw/zinc/05/55/89/434055589.db2.gz ZRSXDINSMVBJET-IAQYHMDHSA-N 2 2 317.260 3.101 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000459373201 293968698 /nfs/dbraw/zinc/96/86/98/293968698.db2.gz JZFHNSMQDJKVML-UHFFFAOYSA-N 2 2 319.836 3.159 20 0 DGADLP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397819 434106564 /nfs/dbraw/zinc/10/65/64/434106564.db2.gz VYNXEMOSPPHEKC-XLIONFOSSA-N 2 2 324.472 3.073 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397959 434106649 /nfs/dbraw/zinc/10/66/49/434106649.db2.gz WFKHKRYTEBJFJT-MSOLQXFVSA-N 2 2 318.461 3.388 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397959 434106654 /nfs/dbraw/zinc/10/66/54/434106654.db2.gz WFKHKRYTEBJFJT-MSOLQXFVSA-N 2 2 318.461 3.388 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000497179027 294010919 /nfs/dbraw/zinc/01/09/19/294010919.db2.gz QERLLAJGKLJQBG-CABCVRRESA-N 2 2 321.465 3.214 20 0 DGADLP c1[nH+]c2ccccn2c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000506369982 294270086 /nfs/dbraw/zinc/27/00/86/294270086.db2.gz NRVBZXCSPSNPFK-UHFFFAOYSA-N 2 2 312.461 3.032 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC000507484699 294300874 /nfs/dbraw/zinc/30/08/74/294300874.db2.gz JYRRLXPUNRBEQO-IPELMVKDSA-N 2 2 304.478 3.256 20 0 DGADLP Cc1ccc(N2CCC(Nc3cc[nH+]c(C)c3Cl)CC2)[nH+]c1 ZINC000509057006 294338933 /nfs/dbraw/zinc/33/89/33/294338933.db2.gz MDTOYFMFUWXJMQ-UHFFFAOYSA-N 2 2 316.836 3.250 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000510270411 294379939 /nfs/dbraw/zinc/37/99/39/294379939.db2.gz SGXIZGAQPBACAQ-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000510270411 294379943 /nfs/dbraw/zinc/37/99/43/294379943.db2.gz SGXIZGAQPBACAQ-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000510548910 294385828 /nfs/dbraw/zinc/38/58/28/294385828.db2.gz BXNOCQQZDYIRRU-RBUKOAKNSA-N 2 2 307.441 3.316 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000363758586 434136584 /nfs/dbraw/zinc/13/65/84/434136584.db2.gz RTHLLOIWVRERLL-WMLDXEAASA-N 2 2 313.445 3.298 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)[C@@H](C)C1 ZINC000340454960 434139253 /nfs/dbraw/zinc/13/92/53/434139253.db2.gz MQRVNWJTDGGLCU-VBQJREDUSA-N 2 2 316.424 3.002 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)[C@@H](C)C1 ZINC000340454960 434139256 /nfs/dbraw/zinc/13/92/56/434139256.db2.gz MQRVNWJTDGGLCU-VBQJREDUSA-N 2 2 316.424 3.002 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422960768 434140310 /nfs/dbraw/zinc/14/03/10/434140310.db2.gz XRDLZLKYZSMOPI-QFBILLFUSA-N 2 2 324.472 3.442 20 0 DGADLP Cc1ccc(CCC[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c[nH+]1 ZINC000353449962 434141980 /nfs/dbraw/zinc/14/19/80/434141980.db2.gz OWIZGRPFZXZJOO-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP Cc1ccc(CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c[nH+]1 ZINC000353449962 434141990 /nfs/dbraw/zinc/14/19/90/434141990.db2.gz OWIZGRPFZXZJOO-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP CCOc1ncccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422968765 434145179 /nfs/dbraw/zinc/14/51/79/434145179.db2.gz XNHBVBOMHOHQAT-ZWKOTPCHSA-N 2 2 311.429 3.063 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422973831 434146781 /nfs/dbraw/zinc/14/67/81/434146781.db2.gz PQGFNUJXDQJZSO-MSOLQXFVSA-N 2 2 311.429 3.495 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccncc1F ZINC000340466833 434147431 /nfs/dbraw/zinc/14/74/31/434147431.db2.gz NOHBRYQRJGWAIK-HNNXBMFYSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1F ZINC000340466833 434147438 /nfs/dbraw/zinc/14/74/38/434147438.db2.gz NOHBRYQRJGWAIK-HNNXBMFYSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000422988707 434151870 /nfs/dbraw/zinc/15/18/70/434151870.db2.gz JUTKNTJUUNJTHM-IHJVYAAUSA-N 2 2 316.489 3.244 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC000450399419 434155606 /nfs/dbraw/zinc/15/56/06/434155606.db2.gz DBVRDPZDRHVELA-GFCCVEGCSA-N 2 2 301.261 3.419 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC000450399419 434155614 /nfs/dbraw/zinc/15/56/14/434155614.db2.gz DBVRDPZDRHVELA-GFCCVEGCSA-N 2 2 301.261 3.419 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450409057 434156504 /nfs/dbraw/zinc/15/65/04/434156504.db2.gz WVBWOIFXPWTTBJ-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450409057 434156514 /nfs/dbraw/zinc/15/65/14/434156514.db2.gz WVBWOIFXPWTTBJ-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422997609 434158111 /nfs/dbraw/zinc/15/81/11/434158111.db2.gz ONXRSRCUDZPKHU-NCXUSEDFSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422997609 434158118 /nfs/dbraw/zinc/15/81/18/434158118.db2.gz ONXRSRCUDZPKHU-NCXUSEDFSA-N 3 2 307.526 3.007 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000315576901 434170583 /nfs/dbraw/zinc/17/05/83/434170583.db2.gz MCYSJIJCEVNJGZ-AWEZNQCLSA-N 2 2 303.406 3.031 20 0 DGADLP C[C@@H](CCc1ccccc1)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000513111684 294461567 /nfs/dbraw/zinc/46/15/67/294461567.db2.gz JWFLSHSKRUCGOW-KRWDZBQOSA-N 2 2 320.440 3.429 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423030899 434177226 /nfs/dbraw/zinc/17/72/26/434177226.db2.gz KEZRMZBVGTXRHM-PMACEKPBSA-N 2 2 318.424 3.415 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423030900 434178050 /nfs/dbraw/zinc/17/80/50/434178050.db2.gz KEZRMZBVGTXRHM-UXHICEINSA-N 2 2 318.424 3.415 20 0 DGADLP C[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CCCC1 ZINC000353502043 434178475 /nfs/dbraw/zinc/17/84/75/434178475.db2.gz KCXCDKNUXOKDRA-QGZVFWFLSA-N 2 2 304.482 3.495 20 0 DGADLP C[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CCCC1 ZINC000353502043 434178483 /nfs/dbraw/zinc/17/84/83/434178483.db2.gz KCXCDKNUXOKDRA-QGZVFWFLSA-N 2 2 304.482 3.495 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCCOC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423036436 434179268 /nfs/dbraw/zinc/17/92/68/434179268.db2.gz UARFKASTMKNCSF-OALUTQOASA-N 2 2 320.477 3.283 20 0 DGADLP Cc1cnn(-c2cc[nH+]cc2NCc2c[nH+]c3cccc(C)n23)c1 ZINC000378449897 434188681 /nfs/dbraw/zinc/18/86/81/434188681.db2.gz HBAWGNONVGPMQT-UHFFFAOYSA-N 2 2 318.384 3.144 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048297 434189929 /nfs/dbraw/zinc/18/99/29/434189929.db2.gz IHZVADOGXVTWAW-LYBXBRPPSA-N 3 2 317.521 3.250 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048297 434189935 /nfs/dbraw/zinc/18/99/35/434189935.db2.gz IHZVADOGXVTWAW-LYBXBRPPSA-N 3 2 317.521 3.250 20 0 DGADLP C[N@H+](CC1CC(F)(F)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000295090986 434192426 /nfs/dbraw/zinc/19/24/26/434192426.db2.gz SDSOAFMPLKLOKN-UHFFFAOYSA-N 2 2 323.431 3.066 20 0 DGADLP C[N@@H+](CC1CC(F)(F)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000295090986 434192435 /nfs/dbraw/zinc/19/24/35/434192435.db2.gz SDSOAFMPLKLOKN-UHFFFAOYSA-N 2 2 323.431 3.066 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[NH+](C)C ZINC000363941589 434193485 /nfs/dbraw/zinc/19/34/85/434193485.db2.gz XMJKDYNMXYYLJQ-IXDOHACOSA-N 2 2 306.498 3.012 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CO2 ZINC000423054588 434194801 /nfs/dbraw/zinc/19/48/01/434194801.db2.gz VBNJPXUVGCCYGI-BPQIPLTHSA-N 2 2 312.388 3.342 20 0 DGADLP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Br ZINC000423065766 434200039 /nfs/dbraw/zinc/20/00/39/434200039.db2.gz CESGOKXMSIPNFO-PBWFPOADSA-N 2 2 309.251 3.130 20 0 DGADLP COCc1ccccc1/C=C(/C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000353525746 434201571 /nfs/dbraw/zinc/20/15/71/434201571.db2.gz YWBXDPJZBYCYBZ-LGMDPLHJSA-N 2 2 313.445 3.455 20 0 DGADLP COCc1ccccc1/C=C(/C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000353525746 434201577 /nfs/dbraw/zinc/20/15/77/434201577.db2.gz YWBXDPJZBYCYBZ-LGMDPLHJSA-N 2 2 313.445 3.455 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423066657 434203233 /nfs/dbraw/zinc/20/32/33/434203233.db2.gz FCYOQZIXURYSDE-YWPYICTPSA-N 2 2 316.367 3.123 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423070781 434204074 /nfs/dbraw/zinc/20/40/74/434204074.db2.gz NRPDLMMHNQLTHV-GUYCJALGSA-N 2 2 318.848 3.397 20 0 DGADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423077366 434210527 /nfs/dbraw/zinc/21/05/27/434210527.db2.gz LVTZIRDULVESJC-FYQPLNBISA-N 2 2 314.473 3.069 20 0 DGADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000423089790 434214390 /nfs/dbraw/zinc/21/43/90/434214390.db2.gz VZOQNMXJMFZCTE-WMWLNJEOSA-N 2 2 307.441 3.352 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423089519 434215332 /nfs/dbraw/zinc/21/53/32/434215332.db2.gz SLCMSVGLFKNAPY-CZUORRHYSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423141812 434241917 /nfs/dbraw/zinc/24/19/17/434241917.db2.gz RWIFHQJSPSCLRX-RLLQIKCJSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423141812 434241929 /nfs/dbraw/zinc/24/19/29/434241929.db2.gz RWIFHQJSPSCLRX-RLLQIKCJSA-N 3 2 315.505 3.019 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCc1ccccc1F)Cc1ccco1 ZINC000353578914 434243573 /nfs/dbraw/zinc/24/35/73/434243573.db2.gz VSAJKMJHECNOPN-UHFFFAOYSA-N 2 2 304.409 3.415 20 0 DGADLP C[NH+](CCC[N@H+](C)CCc1ccccc1F)Cc1ccco1 ZINC000353578914 434243579 /nfs/dbraw/zinc/24/35/79/434243579.db2.gz VSAJKMJHECNOPN-UHFFFAOYSA-N 2 2 304.409 3.415 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1ccccc1F ZINC000353578914 434243584 /nfs/dbraw/zinc/24/35/84/434243584.db2.gz VSAJKMJHECNOPN-UHFFFAOYSA-N 2 2 304.409 3.415 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1ccccc1F ZINC000353578914 434243591 /nfs/dbraw/zinc/24/35/91/434243591.db2.gz VSAJKMJHECNOPN-UHFFFAOYSA-N 2 2 304.409 3.415 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423141810 434245972 /nfs/dbraw/zinc/24/59/72/434245972.db2.gz RWIFHQJSPSCLRX-HOJAQTOUSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423141810 434245982 /nfs/dbraw/zinc/24/59/82/434245982.db2.gz RWIFHQJSPSCLRX-HOJAQTOUSA-N 3 2 315.505 3.019 20 0 DGADLP CC(=O)Nc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC000295201654 434254134 /nfs/dbraw/zinc/25/41/34/434254134.db2.gz YSRLXAOHWWVFLA-IBGZPJMESA-N 2 2 317.477 3.245 20 0 DGADLP Cc1ccn2c(CN3CC[N@@H+](C)Cc4ccccc43)c[nH+]c2c1 ZINC000353591993 434255087 /nfs/dbraw/zinc/25/50/87/434255087.db2.gz YYJGHMYTHRNSPZ-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP Cc1ccn2c(CN3CC[N@H+](C)Cc4ccccc43)c[nH+]c2c1 ZINC000353591993 434255095 /nfs/dbraw/zinc/25/50/95/434255095.db2.gz YYJGHMYTHRNSPZ-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379626620 434257848 /nfs/dbraw/zinc/25/78/48/434257848.db2.gz MGALFJDFOOUFED-KXBFYZLASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379626620 434257859 /nfs/dbraw/zinc/25/78/59/434257859.db2.gz MGALFJDFOOUFED-KXBFYZLASA-N 2 2 313.420 3.363 20 0 DGADLP Cc1cc(NCC2([NH+](C)C)CCCCCC2)nc(C2CC2)[nH+]1 ZINC000346657388 434259487 /nfs/dbraw/zinc/25/94/87/434259487.db2.gz PSLCAPRUSZDNNJ-UHFFFAOYSA-N 2 2 302.466 3.729 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379647914 434260927 /nfs/dbraw/zinc/26/09/27/434260927.db2.gz LIURXWHGKKCEBX-ZIFCJYIRSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647914 434260936 /nfs/dbraw/zinc/26/09/36/434260936.db2.gz LIURXWHGKKCEBX-ZIFCJYIRSA-N 3 2 303.494 3.017 20 0 DGADLP Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc12 ZINC000423173717 434261725 /nfs/dbraw/zinc/26/17/25/434261725.db2.gz ZUIAKRHZLWWHJA-VQTJNVASSA-N 2 2 310.441 3.005 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000295225814 434264309 /nfs/dbraw/zinc/26/43/09/434264309.db2.gz CGOYKTXPZGYRTI-CQSZACIVSA-N 2 2 317.458 3.209 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000295225814 434264320 /nfs/dbraw/zinc/26/43/20/434264320.db2.gz CGOYKTXPZGYRTI-CQSZACIVSA-N 2 2 317.458 3.209 20 0 DGADLP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)s1 ZINC000423177098 434265337 /nfs/dbraw/zinc/26/53/37/434265337.db2.gz AFFYHFQGVRZTMF-ZWNOBZJWSA-N 2 2 315.280 3.303 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000423188054 434269891 /nfs/dbraw/zinc/26/98/91/434269891.db2.gz QCKGUVHVCSQUJQ-DLRXZHIHSA-N 2 2 316.489 3.315 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423188383 434272208 /nfs/dbraw/zinc/27/22/08/434272208.db2.gz YWEVHMUSIRFFIT-IEBWSBKVSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423188383 434272214 /nfs/dbraw/zinc/27/22/14/434272214.db2.gz YWEVHMUSIRFFIT-IEBWSBKVSA-N 3 2 315.505 3.148 20 0 DGADLP FC(F)(F)Oc1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423187608 434273805 /nfs/dbraw/zinc/27/38/05/434273805.db2.gz KXNOWNUOGXGDOC-UKRRQHHQSA-N 2 2 314.351 3.378 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000295246491 434274744 /nfs/dbraw/zinc/27/47/44/434274744.db2.gz FLOWYHZSGQDUIL-AWEZNQCLSA-N 2 2 308.853 3.353 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000295246491 434274751 /nfs/dbraw/zinc/27/47/51/434274751.db2.gz FLOWYHZSGQDUIL-AWEZNQCLSA-N 2 2 308.853 3.353 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H]2CCC[NH2+]2)cc1 ZINC000423196492 434275086 /nfs/dbraw/zinc/27/50/86/434275086.db2.gz ZVDFSQLPVACHDK-YWTNHNAXSA-N 2 2 312.413 3.227 20 0 DGADLP C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423106119 434225109 /nfs/dbraw/zinc/22/51/09/434225109.db2.gz OHVQJVLBZAROGK-VCTAVGKDSA-N 2 2 324.266 3.025 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000353557629 434225600 /nfs/dbraw/zinc/22/56/00/434225600.db2.gz VPVIZOAJWXQDQL-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000353557629 434225613 /nfs/dbraw/zinc/22/56/13/434225613.db2.gz VPVIZOAJWXQDQL-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423125265 434232135 /nfs/dbraw/zinc/23/21/35/434232135.db2.gz QBUHEIJLBYQIBQ-VHDGCEQUSA-N 2 2 300.368 3.138 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2CC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423121314 434232424 /nfs/dbraw/zinc/23/24/24/434232424.db2.gz ATNIDVVASPUBNR-HOTGVXAUSA-N 2 2 310.388 3.123 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423132297 434237408 /nfs/dbraw/zinc/23/74/08/434237408.db2.gz IXUPALSXXNGDIL-PIGZYNQJSA-N 2 2 308.347 3.152 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccnc2)ccc1F ZINC000423205641 434279115 /nfs/dbraw/zinc/27/91/15/434279115.db2.gz FHOZXNOBYRLPFN-KXBFYZLASA-N 2 2 313.420 3.208 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423204661 434279246 /nfs/dbraw/zinc/27/92/46/434279246.db2.gz OIXCJMJGLQCONG-JBLDHEPKSA-N 2 2 303.233 3.101 20 0 DGADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423200889 434280167 /nfs/dbraw/zinc/28/01/67/434280167.db2.gz GVAXEJBBLFJDGG-KGLIPLIRSA-N 2 2 317.433 3.278 20 0 DGADLP c1ccc(C([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000325858170 434280389 /nfs/dbraw/zinc/28/03/89/434280389.db2.gz XGRUWQVVNMIORY-WOJBJXKFSA-N 2 2 322.452 3.229 20 0 DGADLP c1ccc(C([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000325858170 434280396 /nfs/dbraw/zinc/28/03/96/434280396.db2.gz XGRUWQVVNMIORY-WOJBJXKFSA-N 2 2 322.452 3.229 20 0 DGADLP c1ccc(C([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000325858165 434281023 /nfs/dbraw/zinc/28/10/23/434281023.db2.gz XGRUWQVVNMIORY-UXHICEINSA-N 2 2 322.452 3.229 20 0 DGADLP c1ccc(C([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2)cc1 ZINC000325858165 434281033 /nfs/dbraw/zinc/28/10/33/434281033.db2.gz XGRUWQVVNMIORY-UXHICEINSA-N 2 2 322.452 3.229 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)o2)cs1 ZINC000358023290 434290167 /nfs/dbraw/zinc/29/01/67/434290167.db2.gz PODWMYUOCADOQH-WCQYABFASA-N 2 2 305.447 3.284 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cs1 ZINC000358023290 434290171 /nfs/dbraw/zinc/29/01/71/434290171.db2.gz PODWMYUOCADOQH-WCQYABFASA-N 2 2 305.447 3.284 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219377 434290791 /nfs/dbraw/zinc/29/07/91/434290791.db2.gz TYLVJWUTRZRAEK-KXBFYZLASA-N 2 2 322.456 3.372 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219377 434290797 /nfs/dbraw/zinc/29/07/97/434290797.db2.gz TYLVJWUTRZRAEK-KXBFYZLASA-N 2 2 322.456 3.372 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346033 434333430 /nfs/dbraw/zinc/33/34/30/434333430.db2.gz MDRGRUZODVIXCQ-OHQAAIJDSA-N 2 2 302.462 3.053 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346033 434333440 /nfs/dbraw/zinc/33/34/40/434333440.db2.gz MDRGRUZODVIXCQ-OHQAAIJDSA-N 2 2 302.462 3.053 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)o2)cs1 ZINC000358030504 434293874 /nfs/dbraw/zinc/29/38/74/434293874.db2.gz ZTMUZTMHVFBSCH-RISCZKNCSA-N 2 2 305.447 3.141 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)o2)cs1 ZINC000358030504 434293881 /nfs/dbraw/zinc/29/38/81/434293881.db2.gz ZTMUZTMHVFBSCH-RISCZKNCSA-N 2 2 305.447 3.141 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287310445 434333634 /nfs/dbraw/zinc/33/36/34/434333634.db2.gz LEMOSOPYZNPDPS-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc([C@@H]2COCC[N@@H+]2CCCc2ccc(C)[nH+]c2)o1 ZINC000353647771 434297246 /nfs/dbraw/zinc/29/72/46/434297246.db2.gz HMGSOFHVULYVMJ-KRWDZBQOSA-N 2 2 300.402 3.298 20 0 DGADLP Cc1ccc([C@@H]2COCC[N@H+]2CCCc2ccc(C)[nH+]c2)o1 ZINC000353647771 434297251 /nfs/dbraw/zinc/29/72/51/434297251.db2.gz HMGSOFHVULYVMJ-KRWDZBQOSA-N 2 2 300.402 3.298 20 0 DGADLP CCc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC000423229657 434298712 /nfs/dbraw/zinc/29/87/12/434298712.db2.gz HMXMSFFSKYVUET-ZDUSSCGKSA-N 2 2 316.474 3.288 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000423229068 434299046 /nfs/dbraw/zinc/29/90/46/434299046.db2.gz AEKBNLCSMWQIQD-YPMHNXCESA-N 2 2 300.418 3.446 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423231909 434299123 /nfs/dbraw/zinc/29/91/23/434299123.db2.gz HKEMXMWPHXGVHS-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645749 434299146 /nfs/dbraw/zinc/29/91/46/434299146.db2.gz BWLOBEOSDSWXRL-GOEBONIOSA-N 2 2 323.506 3.301 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645749 434299149 /nfs/dbraw/zinc/29/91/49/434299149.db2.gz BWLOBEOSDSWXRL-GOEBONIOSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645749 434299156 /nfs/dbraw/zinc/29/91/56/434299156.db2.gz BWLOBEOSDSWXRL-GOEBONIOSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645749 434299160 /nfs/dbraw/zinc/29/91/60/434299160.db2.gz BWLOBEOSDSWXRL-GOEBONIOSA-N 2 2 323.506 3.301 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OCC ZINC000423230900 434299631 /nfs/dbraw/zinc/29/96/31/434299631.db2.gz FPJFPWWVRDVODS-HOTGVXAUSA-N 2 2 306.450 3.277 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000423232005 434300331 /nfs/dbraw/zinc/30/03/31/434300331.db2.gz BRMWWXLWRRGETI-NSISKUIASA-N 2 2 310.441 3.444 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc2c(c1)CCC2 ZINC000423233117 434301335 /nfs/dbraw/zinc/30/13/35/434301335.db2.gz NYYCFWHGKNSIBW-HNNXBMFYSA-N 2 2 322.456 3.153 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287310445 434333642 /nfs/dbraw/zinc/33/36/42/434333642.db2.gz LEMOSOPYZNPDPS-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000353651606 434302389 /nfs/dbraw/zinc/30/23/89/434302389.db2.gz HADZJPCDWGSHCN-HXUWFJFHSA-N 2 2 316.489 3.039 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000353651606 434302395 /nfs/dbraw/zinc/30/23/95/434302395.db2.gz HADZJPCDWGSHCN-HXUWFJFHSA-N 2 2 316.489 3.039 20 0 DGADLP Cc1cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(C)s1 ZINC000423238474 434304630 /nfs/dbraw/zinc/30/46/30/434304630.db2.gz VCYGQAJROMZAFG-ZDUSSCGKSA-N 2 2 316.474 3.343 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048366 434307414 /nfs/dbraw/zinc/30/74/14/434307414.db2.gz PREUJDQLIBJICC-IPYPFGDCSA-N 2 2 316.474 3.196 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048366 434307425 /nfs/dbraw/zinc/30/74/25/434307425.db2.gz PREUJDQLIBJICC-IPYPFGDCSA-N 2 2 316.474 3.196 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(OCC(C)C)cc2)n1C ZINC000516982170 294646829 /nfs/dbraw/zinc/64/68/29/294646829.db2.gz WOGWUCKOAJZOBJ-UHFFFAOYSA-N 2 2 301.434 3.096 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423247173 434308547 /nfs/dbraw/zinc/30/85/47/434308547.db2.gz QEXMYEFQDXXGQS-QZTJIDSGSA-N 2 2 312.413 3.199 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423244208 434310140 /nfs/dbraw/zinc/31/01/40/434310140.db2.gz NINLUVSONCQORS-RHSMWYFYSA-N 2 2 314.429 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)[C@H](C)O1 ZINC000386690604 434311043 /nfs/dbraw/zinc/31/10/43/434311043.db2.gz KIBMBPGLGYNIMJ-SOLBZPMBSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)[C@H](C)O1 ZINC000386690604 434311056 /nfs/dbraw/zinc/31/10/56/434311056.db2.gz KIBMBPGLGYNIMJ-SOLBZPMBSA-N 2 2 302.462 3.197 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C2CC2)c1 ZINC000423252293 434312502 /nfs/dbraw/zinc/31/25/02/434312502.db2.gz XJUDRWRKQBGFTR-UXHICEINSA-N 2 2 310.441 3.306 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386605652 434313117 /nfs/dbraw/zinc/31/31/17/434313117.db2.gz VRHIHIZXSDXSGF-LPHOPBHVSA-N 3 2 303.494 3.149 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000423249347 434313680 /nfs/dbraw/zinc/31/36/80/434313680.db2.gz STOFUGXNZHVTOK-AKHDSKFASA-N 2 2 314.473 3.357 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000423249046 434315155 /nfs/dbraw/zinc/31/51/55/434315155.db2.gz ODPXMOQOKNDGRC-JQHSSLGASA-N 2 2 318.461 3.178 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423253342 434315177 /nfs/dbraw/zinc/31/51/77/434315177.db2.gz ZAUSLGPFPILKHL-KDOFPFPSSA-N 2 2 300.450 3.377 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423253340 434315390 /nfs/dbraw/zinc/31/53/90/434315390.db2.gz ZAUSLGPFPILKHL-KBXCAEBGSA-N 2 2 300.450 3.377 20 0 DGADLP Cc1cc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)ccc1F ZINC000348418773 434315994 /nfs/dbraw/zinc/31/59/94/434315994.db2.gz JLXJFLNOWOOLOT-UHFFFAOYSA-N 2 2 307.438 3.284 20 0 DGADLP Cc1cc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)ccc1F ZINC000348418773 434316007 /nfs/dbraw/zinc/31/60/07/434316007.db2.gz JLXJFLNOWOOLOT-UHFFFAOYSA-N 2 2 307.438 3.284 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000340708270 434316440 /nfs/dbraw/zinc/31/64/40/434316440.db2.gz FJYNBUFLJXEMNI-UHFFFAOYSA-N 2 2 312.461 3.040 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000348425412 434317156 /nfs/dbraw/zinc/31/71/56/434317156.db2.gz RYSNQAVEFZFKPD-NRFANRHFSA-N 2 2 324.468 3.392 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000348425412 434317163 /nfs/dbraw/zinc/31/71/63/434317163.db2.gz RYSNQAVEFZFKPD-NRFANRHFSA-N 2 2 324.468 3.392 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258295 434317443 /nfs/dbraw/zinc/31/74/43/434317443.db2.gz BFZHBXUULBWKTG-MLGOLLRUSA-N 2 2 324.440 3.401 20 0 DGADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259155 434321168 /nfs/dbraw/zinc/32/11/68/434321168.db2.gz DCJYLXFUTSHPNR-LSTHTHJFSA-N 2 2 315.505 3.004 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312736 434323538 /nfs/dbraw/zinc/32/35/38/434323538.db2.gz BOSNCIXYLFNNCL-RTBURBONSA-N 3 2 315.505 3.148 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312736 434323544 /nfs/dbraw/zinc/32/35/44/434323544.db2.gz BOSNCIXYLFNNCL-RTBURBONSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000353676310 434327409 /nfs/dbraw/zinc/32/74/09/434327409.db2.gz XCXPBHBQDYGLCD-SWLSCSKDSA-N 2 2 305.372 3.087 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437768425 434330129 /nfs/dbraw/zinc/33/01/29/434330129.db2.gz BDCJTDFTWHQWTR-RLLQIKCJSA-N 2 2 316.489 3.197 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423276268 434332118 /nfs/dbraw/zinc/33/21/18/434332118.db2.gz OCHOHCUWBDLBGW-CHWSQXEVSA-N 2 2 315.230 3.148 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000358001138 434278245 /nfs/dbraw/zinc/27/82/45/434278245.db2.gz DIRLUBCWICZRFN-OXQOHEQNSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000358001138 434278250 /nfs/dbraw/zinc/27/82/50/434278250.db2.gz DIRLUBCWICZRFN-OXQOHEQNSA-N 2 2 324.472 3.210 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000417353037 434361560 /nfs/dbraw/zinc/36/15/60/434361560.db2.gz HVBQHSOMBNHOQY-DLBZAZTESA-N 2 2 322.880 3.114 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625698 434361816 /nfs/dbraw/zinc/36/18/16/434361816.db2.gz HWONYWKDVJBGIE-RTBURBONSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625698 434361825 /nfs/dbraw/zinc/36/18/25/434361825.db2.gz HWONYWKDVJBGIE-RTBURBONSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCC2)cnn1-c1cccc(Cl)c1 ZINC000423326391 434363816 /nfs/dbraw/zinc/36/38/16/434363816.db2.gz MEVKLYMALSEJAT-GFCCVEGCSA-N 2 2 318.852 3.366 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354760 434365110 /nfs/dbraw/zinc/36/51/10/434365110.db2.gz MNHBYBAMRCYSRE-GFCCVEGCSA-N 2 2 300.368 3.320 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358171563 434365516 /nfs/dbraw/zinc/36/55/16/434365516.db2.gz RRKOREAHLRQQGJ-IRXDYDNUSA-N 2 2 320.477 3.237 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000287470984 434370424 /nfs/dbraw/zinc/37/04/24/434370424.db2.gz JLMBAQZSSKIDFW-UHFFFAOYSA-N 2 2 318.465 3.284 20 0 DGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423357791 434379979 /nfs/dbraw/zinc/37/99/79/434379979.db2.gz ASRCNTZLUHOWHP-MRAWALMUSA-N 2 2 320.383 3.224 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCC3)cc1F ZINC000423365479 434383501 /nfs/dbraw/zinc/38/35/01/434383501.db2.gz KFGPYLUGXIYNIH-RRQGHBQHSA-N 2 2 306.400 3.333 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000423381388 434392085 /nfs/dbraw/zinc/39/20/85/434392085.db2.gz ZPMAOGVHAUFGSH-WBHUJUFNSA-N 2 2 317.383 3.156 20 0 DGADLP C[C@@H](O)CCC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751322 434388584 /nfs/dbraw/zinc/38/85/84/434388584.db2.gz DAOVEFVJZYTHPC-APWZRJJASA-N 2 2 318.505 3.210 20 0 DGADLP C[C@@H](O)CCC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751322 434388592 /nfs/dbraw/zinc/38/85/92/434388592.db2.gz DAOVEFVJZYTHPC-APWZRJJASA-N 2 2 318.505 3.210 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCCO2 ZINC000423378939 434389759 /nfs/dbraw/zinc/38/97/59/434389759.db2.gz GEFCORPDVGXEAW-KSSFIOAISA-N 2 2 318.461 3.277 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000389289135 434346146 /nfs/dbraw/zinc/34/61/46/434346146.db2.gz WYMUGPOTSYHVGQ-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000389289135 434346160 /nfs/dbraw/zinc/34/61/60/434346160.db2.gz WYMUGPOTSYHVGQ-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000389853933 434350056 /nfs/dbraw/zinc/35/00/56/434350056.db2.gz YESBCJLDKIOCBY-NJAFHUGGSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000389853933 434350062 /nfs/dbraw/zinc/35/00/62/434350062.db2.gz YESBCJLDKIOCBY-NJAFHUGGSA-N 2 2 316.489 3.443 20 0 DGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000340768789 434350593 /nfs/dbraw/zinc/35/05/93/434350593.db2.gz BNVOECYCFFOAQK-YJBOKZPZSA-N 2 2 322.456 3.737 20 0 DGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000340768789 434350599 /nfs/dbraw/zinc/35/05/99/434350599.db2.gz BNVOECYCFFOAQK-YJBOKZPZSA-N 2 2 322.456 3.737 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000389853932 434353405 /nfs/dbraw/zinc/35/34/05/434353405.db2.gz YESBCJLDKIOCBY-KBAYOESNSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000389853932 434353414 /nfs/dbraw/zinc/35/34/14/434353414.db2.gz YESBCJLDKIOCBY-KBAYOESNSA-N 2 2 316.489 3.443 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423315348 434353898 /nfs/dbraw/zinc/35/38/98/434353898.db2.gz XIBFAWFDLXVLEB-SJORKVTESA-N 2 2 310.869 3.019 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000423311011 434354509 /nfs/dbraw/zinc/35/45/09/434354509.db2.gz BCQLKQBEEVXILI-MRXNPFEDSA-N 2 2 314.429 3.366 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000287548150 434391310 /nfs/dbraw/zinc/39/13/10/434391310.db2.gz OQAKPGDUTZWBEV-MRXNPFEDSA-N 2 2 316.449 3.038 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cnn(C(C)C)c1)CCC2 ZINC000366210685 434356210 /nfs/dbraw/zinc/35/62/10/434356210.db2.gz PGRPXBUSHCTCQP-LSDHHAIUSA-N 2 2 301.438 3.197 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423319154 434359222 /nfs/dbraw/zinc/35/92/22/434359222.db2.gz CIRIWHPDCUIVIC-OAHLLOKOSA-N 2 2 318.383 3.228 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)CCC2 ZINC000358169562 434360536 /nfs/dbraw/zinc/36/05/36/434360536.db2.gz PPYSSMCYEGCSRZ-APWZRJJASA-N 2 2 302.462 3.073 20 0 DGADLP CCc1cc(NCc2ccn3cc[nH+]c3c2)c2ccccc2[nH+]1 ZINC000519491456 294769701 /nfs/dbraw/zinc/76/97/01/294769701.db2.gz VQGUEZOHQHRYDA-UHFFFAOYSA-N 2 2 302.381 3.479 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000348691688 434447527 /nfs/dbraw/zinc/44/75/27/434447527.db2.gz CURVJETWHQMAPS-QXCFHYIPSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000348691688 434447537 /nfs/dbraw/zinc/44/75/37/434447537.db2.gz CURVJETWHQMAPS-QXCFHYIPSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H]1[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000340852473 434392870 /nfs/dbraw/zinc/39/28/70/434392870.db2.gz XWFQWNXQLRVMBI-BBRMVZONSA-N 2 2 307.401 3.033 20 0 DGADLP C[C@H]1[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000340852473 434392891 /nfs/dbraw/zinc/39/28/91/434392891.db2.gz XWFQWNXQLRVMBI-BBRMVZONSA-N 2 2 307.401 3.033 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423371358 434393193 /nfs/dbraw/zinc/39/31/93/434393193.db2.gz FKSUQFZIWRJEQE-IAQYHMDHSA-N 2 2 311.267 3.414 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncs1 ZINC000423376369 434393313 /nfs/dbraw/zinc/39/33/13/434393313.db2.gz VHJNCJBUBFJFBR-ITDIGPHOSA-N 2 2 323.412 3.218 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423385270 434395881 /nfs/dbraw/zinc/39/58/81/434395881.db2.gz ILUBSOGVDPIPHP-ISVAXAHUSA-N 2 2 317.658 3.287 20 0 DGADLP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@@H]3[NH2+]CCCC3(C)C)cc12 ZINC000423389017 434396402 /nfs/dbraw/zinc/39/64/02/434396402.db2.gz NFNXSGYGTULGAO-WFASDCNBSA-N 2 2 320.506 3.372 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750635 434400200 /nfs/dbraw/zinc/40/02/00/434400200.db2.gz WGPOWXFNOFCDLR-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750635 434400207 /nfs/dbraw/zinc/40/02/07/434400207.db2.gz WGPOWXFNOFCDLR-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750635 434400220 /nfs/dbraw/zinc/40/02/20/434400220.db2.gz WGPOWXFNOFCDLR-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000353750635 434400223 /nfs/dbraw/zinc/40/02/23/434400223.db2.gz WGPOWXFNOFCDLR-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000358659507 434401925 /nfs/dbraw/zinc/40/19/25/434401925.db2.gz FMGUCVYYEYDKOK-JFRXWTBNSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000358659507 434401936 /nfs/dbraw/zinc/40/19/36/434401936.db2.gz FMGUCVYYEYDKOK-JFRXWTBNSA-N 3 2 307.526 3.102 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752302 434403098 /nfs/dbraw/zinc/40/30/98/434403098.db2.gz RZROOEOSIRHDQC-NVXWUHKLSA-N 2 2 318.461 3.153 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752302 434403108 /nfs/dbraw/zinc/40/31/08/434403108.db2.gz RZROOEOSIRHDQC-NVXWUHKLSA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752302 434403123 /nfs/dbraw/zinc/40/31/23/434403123.db2.gz RZROOEOSIRHDQC-NVXWUHKLSA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752302 434403132 /nfs/dbraw/zinc/40/31/32/434403132.db2.gz RZROOEOSIRHDQC-NVXWUHKLSA-N 2 2 318.461 3.153 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000394976458 434411046 /nfs/dbraw/zinc/41/10/46/434411046.db2.gz PHPKRJCNZQZVJY-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000394976458 434411056 /nfs/dbraw/zinc/41/10/56/434411056.db2.gz PHPKRJCNZQZVJY-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626631 434411037 /nfs/dbraw/zinc/41/10/37/434411037.db2.gz KBCWUJGPXDVNHW-DOMZBBRYSA-N 2 2 314.832 3.098 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626631 434411047 /nfs/dbraw/zinc/41/10/47/434411047.db2.gz KBCWUJGPXDVNHW-DOMZBBRYSA-N 2 2 314.832 3.098 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)cn1 ZINC000287616956 434412250 /nfs/dbraw/zinc/41/22/50/434412250.db2.gz JPWUSMXOFRBMFH-CYBMUJFWSA-N 2 2 321.440 3.287 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423415429 434412727 /nfs/dbraw/zinc/41/27/27/434412727.db2.gz OZGPHBMDNGNBQA-SJORKVTESA-N 2 2 308.853 3.076 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2oc3ccccc3c2C)CCC[NH2+]1 ZINC000423416672 434414680 /nfs/dbraw/zinc/41/46/80/434414680.db2.gz FXYHNLYXEYYNML-RDTXWAMCSA-N 2 2 302.418 3.160 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117622 434416377 /nfs/dbraw/zinc/41/63/77/434416377.db2.gz OZLNNHBRFITWRZ-CJNGLKHVSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117622 434416385 /nfs/dbraw/zinc/41/63/85/434416385.db2.gz OZLNNHBRFITWRZ-CJNGLKHVSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117622 434416395 /nfs/dbraw/zinc/41/63/95/434416395.db2.gz OZLNNHBRFITWRZ-CJNGLKHVSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117622 434416401 /nfs/dbraw/zinc/41/64/01/434416401.db2.gz OZLNNHBRFITWRZ-CJNGLKHVSA-N 2 2 316.474 3.054 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000423417077 434417590 /nfs/dbraw/zinc/41/75/90/434417590.db2.gz GMRKBKMAXOVSGN-IUODEOHRSA-N 2 2 316.367 3.125 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423442525 434424963 /nfs/dbraw/zinc/42/49/63/434424963.db2.gz WTHZFXNJJXWBRG-WOJBJXKFSA-N 2 2 307.441 3.399 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000348641994 434426987 /nfs/dbraw/zinc/42/69/87/434426987.db2.gz MRQVSZWELWMXHQ-MDZRGWNJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000348641994 434426993 /nfs/dbraw/zinc/42/69/93/434426993.db2.gz MRQVSZWELWMXHQ-MDZRGWNJSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348643500 434429001 /nfs/dbraw/zinc/42/90/01/434429001.db2.gz LYDTUOAIUCEJRL-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000348643500 434429013 /nfs/dbraw/zinc/42/90/13/434429013.db2.gz LYDTUOAIUCEJRL-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348643500 434429024 /nfs/dbraw/zinc/42/90/24/434429024.db2.gz LYDTUOAIUCEJRL-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000348643500 434429030 /nfs/dbraw/zinc/42/90/30/434429030.db2.gz LYDTUOAIUCEJRL-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000397102552 434430547 /nfs/dbraw/zinc/43/05/47/434430547.db2.gz PZRVWWNUHMZQDK-FXAWDEMLSA-N 2 2 309.457 3.451 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000397102552 434430554 /nfs/dbraw/zinc/43/05/54/434430554.db2.gz PZRVWWNUHMZQDK-FXAWDEMLSA-N 2 2 309.457 3.451 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000397102555 434431699 /nfs/dbraw/zinc/43/16/99/434431699.db2.gz PZRVWWNUHMZQDK-PXNSSMCTSA-N 2 2 309.457 3.451 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000397102555 434431710 /nfs/dbraw/zinc/43/17/10/434431710.db2.gz PZRVWWNUHMZQDK-PXNSSMCTSA-N 2 2 309.457 3.451 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423462134 434432436 /nfs/dbraw/zinc/43/24/36/434432436.db2.gz KJKXBURQYNWKLI-HOCLYGCPSA-N 2 2 300.450 3.185 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C[NH3+] ZINC000397406094 434436495 /nfs/dbraw/zinc/43/64/95/434436495.db2.gz OTDBACBWTVXEGG-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C[NH3+] ZINC000397406094 434436503 /nfs/dbraw/zinc/43/65/03/434436503.db2.gz OTDBACBWTVXEGG-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397379612 434436818 /nfs/dbraw/zinc/43/68/18/434436818.db2.gz FLZYBPCDMDBOLF-JYJNAYRXSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397379612 434436828 /nfs/dbraw/zinc/43/68/28/434436828.db2.gz FLZYBPCDMDBOLF-JYJNAYRXSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000397318600 434437855 /nfs/dbraw/zinc/43/78/55/434437855.db2.gz RVTQYUAQDWFZBH-VWYCJHECSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000397318600 434437864 /nfs/dbraw/zinc/43/78/64/434437864.db2.gz RVTQYUAQDWFZBH-VWYCJHECSA-N 2 2 317.296 3.316 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000359980450 434463444 /nfs/dbraw/zinc/46/34/44/434463444.db2.gz CMGKZKWMCYJYKN-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423506236 434463636 /nfs/dbraw/zinc/46/36/36/434463636.db2.gz OZCLFTKBJXGJMD-BEFAXECRSA-N 2 2 312.461 3.100 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ncc(Br)s1 ZINC000423512170 434465230 /nfs/dbraw/zinc/46/52/30/434465230.db2.gz UPAAYVGWPFDLCS-SCZZXKLOSA-N 2 2 318.284 3.074 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000423512470 434465550 /nfs/dbraw/zinc/46/55/50/434465550.db2.gz UQWPQSBPFIYHRZ-SJCJKPOMSA-N 2 2 317.408 3.142 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cc2c(ccc3ccccc23)o1 ZINC000423511141 434465779 /nfs/dbraw/zinc/46/57/79/434465779.db2.gz JWLCQKINDXEOAW-GDBMZVCRSA-N 2 2 323.440 3.140 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423507308 434466455 /nfs/dbraw/zinc/46/64/55/434466455.db2.gz IHUJMQKJBSSZAD-GBESFXJTSA-N 2 2 308.425 3.028 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(OC)c1 ZINC000423506569 434466777 /nfs/dbraw/zinc/46/67/77/434466777.db2.gz IAOLAVYVGZVLCP-XUVXKRRUSA-N 2 2 310.441 3.492 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423514895 434469683 /nfs/dbraw/zinc/46/96/83/434469683.db2.gz XBYMRRXHEBNYGF-MKXGPGLRSA-N 2 2 314.473 3.186 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995730 434469989 /nfs/dbraw/zinc/46/99/89/434469989.db2.gz DTOQGLXVFBIRLF-IEBWSBKVSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995730 434469998 /nfs/dbraw/zinc/46/99/98/434469998.db2.gz DTOQGLXVFBIRLF-IEBWSBKVSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000423522038 434475547 /nfs/dbraw/zinc/47/55/47/434475547.db2.gz REMXNYMAZNZTKR-NXEZZACHSA-N 2 2 321.223 3.162 20 0 DGADLP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423554374 434488566 /nfs/dbraw/zinc/48/85/66/434488566.db2.gz HDMCWZRHCWUMNS-SJORKVTESA-N 3 2 303.494 3.004 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000400745113 434491271 /nfs/dbraw/zinc/49/12/71/434491271.db2.gz UKECPWJMNIEFEU-OXJNMPFZSA-N 2 2 310.441 3.496 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400736803 434491873 /nfs/dbraw/zinc/49/18/73/434491873.db2.gz RWIFHQJSPSCLRX-DFQSSKMNSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400736803 434491878 /nfs/dbraw/zinc/49/18/78/434491878.db2.gz RWIFHQJSPSCLRX-DFQSSKMNSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000423579148 434494578 /nfs/dbraw/zinc/49/45/78/434494578.db2.gz VUGKOQDZJNLEOY-GOSISDBHSA-N 3 2 323.484 3.331 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000359855579 434450396 /nfs/dbraw/zinc/45/03/96/434450396.db2.gz MBEWLZXIZYYYLE-GOSISDBHSA-N 2 2 315.461 3.125 20 0 DGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423492892 434456762 /nfs/dbraw/zinc/45/67/62/434456762.db2.gz OXSITTGLEQGYRR-KGLIPLIRSA-N 2 2 302.418 3.024 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404322322 434512357 /nfs/dbraw/zinc/51/23/57/434512357.db2.gz RPWYKITXSGMWKX-KBXCAEBGSA-N 2 2 318.461 3.237 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404322322 434512365 /nfs/dbraw/zinc/51/23/65/434512365.db2.gz RPWYKITXSGMWKX-KBXCAEBGSA-N 2 2 318.461 3.237 20 0 DGADLP Cc1noc([C@H]2CCCC[N@@H+]2CCCc2ccc(C)[nH+]c2)n1 ZINC000348831977 434512764 /nfs/dbraw/zinc/51/27/64/434512764.db2.gz HJLAVTNMBQRZMF-MRXNPFEDSA-N 2 2 300.406 3.241 20 0 DGADLP Cc1noc([C@H]2CCCC[N@H+]2CCCc2ccc(C)[nH+]c2)n1 ZINC000348831977 434512772 /nfs/dbraw/zinc/51/27/72/434512772.db2.gz HJLAVTNMBQRZMF-MRXNPFEDSA-N 2 2 300.406 3.241 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000404365409 434512769 /nfs/dbraw/zinc/51/27/69/434512769.db2.gz PIFNBAKNOPJIRP-OCCSQVGLSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000404365409 434512777 /nfs/dbraw/zinc/51/27/77/434512777.db2.gz PIFNBAKNOPJIRP-OCCSQVGLSA-N 2 2 305.447 3.352 20 0 DGADLP c1nn2ccccc2c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000360095245 434515891 /nfs/dbraw/zinc/51/58/91/434515891.db2.gz IDAZIFJZPCHLRF-UHFFFAOYSA-N 2 2 320.440 3.089 20 0 DGADLP COc1ccccc1C[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839866 434520098 /nfs/dbraw/zinc/52/00/98/434520098.db2.gz YWRIUWUUQAEKFL-OAHLLOKOSA-N 2 2 322.412 3.378 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000366853173 434520251 /nfs/dbraw/zinc/52/02/51/434520251.db2.gz AZNZWCAQPQKKIR-SUMDDJOVSA-N 2 2 324.472 3.223 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000366853173 434520258 /nfs/dbraw/zinc/52/02/58/434520258.db2.gz AZNZWCAQPQKKIR-SUMDDJOVSA-N 2 2 324.472 3.223 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n(C)n1 ZINC000417781015 434525041 /nfs/dbraw/zinc/52/50/41/434525041.db2.gz JHDDFDOSIHNVIJ-INIZCTEOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n(C)n1 ZINC000417781015 434525048 /nfs/dbraw/zinc/52/50/48/434525048.db2.gz JHDDFDOSIHNVIJ-INIZCTEOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)c[nH+]1 ZINC000353929638 434530924 /nfs/dbraw/zinc/53/09/24/434530924.db2.gz DZLJPIGOEMVSCK-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000353927983 434531912 /nfs/dbraw/zinc/53/19/12/434531912.db2.gz KDXHWVPQXPWIMU-HXUWFJFHSA-N 2 2 311.473 3.085 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000296173622 434531967 /nfs/dbraw/zinc/53/19/67/434531967.db2.gz XUTGLPJHUFGRIH-VQIMIIECSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000296173622 434531976 /nfs/dbraw/zinc/53/19/76/434531976.db2.gz XUTGLPJHUFGRIH-VQIMIIECSA-N 2 2 324.472 3.350 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2ccc(-n3cccn3)cc2)c[nH+]1 ZINC000353927984 434534075 /nfs/dbraw/zinc/53/40/75/434534075.db2.gz KEZCRPPNMIKERI-UHFFFAOYSA-N 2 2 320.440 3.341 20 0 DGADLP C[N@H+](Cc1cnc(C2CCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348872281 434538167 /nfs/dbraw/zinc/53/81/67/434538167.db2.gz CAYNLPJNDUSCII-YIONKMFJSA-N 2 2 305.491 3.468 20 0 DGADLP C[N@@H+](Cc1cnc(C2CCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348872281 434538174 /nfs/dbraw/zinc/53/81/74/434538174.db2.gz CAYNLPJNDUSCII-YIONKMFJSA-N 2 2 305.491 3.468 20 0 DGADLP C[NH+](Cc1cnc(C2CCC2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348872281 434538179 /nfs/dbraw/zinc/53/81/79/434538179.db2.gz CAYNLPJNDUSCII-YIONKMFJSA-N 2 2 305.491 3.468 20 0 DGADLP C[NH+](Cc1cnc(C2CCC2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348872281 434538184 /nfs/dbraw/zinc/53/81/84/434538184.db2.gz CAYNLPJNDUSCII-YIONKMFJSA-N 2 2 305.491 3.468 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000353940498 434538509 /nfs/dbraw/zinc/53/85/09/434538509.db2.gz BRVWVONPUCATQF-HOTGVXAUSA-N 2 2 301.434 3.140 20 0 DGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000353940497 434538730 /nfs/dbraw/zinc/53/87/30/434538730.db2.gz BRVWVONPUCATQF-CVEARBPZSA-N 2 2 301.434 3.140 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000353940500 434539237 /nfs/dbraw/zinc/53/92/37/434539237.db2.gz BRVWVONPUCATQF-JKSUJKDBSA-N 2 2 301.434 3.140 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C2)c[nH+]1 ZINC000353940513 434539413 /nfs/dbraw/zinc/53/94/13/434539413.db2.gz BVPJXZJPHRFVND-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP CCn1cncc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417929890 434550552 /nfs/dbraw/zinc/55/05/52/434550552.db2.gz JJQUTGOFFKWPKI-MRXNPFEDSA-N 2 2 312.461 3.218 20 0 DGADLP CC(C)c1cc(NCC23CCC[NH+]2CCC3)nc(C(C)C)[nH+]1 ZINC000439120989 434567000 /nfs/dbraw/zinc/56/70/00/434567000.db2.gz TWTMEDAERDMSAB-UHFFFAOYSA-N 2 2 302.466 3.186 20 0 DGADLP Cc1cc(NCC[NH+]2CCOCC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360264101 434563543 /nfs/dbraw/zinc/56/35/43/434563543.db2.gz FDTDNJBNNYKWMF-UHFFFAOYSA-N 2 2 319.836 3.249 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000526983854 295067729 /nfs/dbraw/zinc/06/77/29/295067729.db2.gz HYMZCMGWSQAQCI-ARFHVFGLSA-N 2 2 320.477 3.127 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1OC ZINC000526983854 295067731 /nfs/dbraw/zinc/06/77/31/295067731.db2.gz HYMZCMGWSQAQCI-ARFHVFGLSA-N 2 2 320.477 3.127 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000527534646 295102162 /nfs/dbraw/zinc/10/21/62/295102162.db2.gz OCIFXVGRVYASDX-LJQANCHMSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000527534646 295102164 /nfs/dbraw/zinc/10/21/64/295102164.db2.gz OCIFXVGRVYASDX-LJQANCHMSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)ccn1 ZINC000527539008 295102498 /nfs/dbraw/zinc/10/24/98/295102498.db2.gz HXPJPDIKWYKMRN-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)ccn1 ZINC000527539008 295102499 /nfs/dbraw/zinc/10/24/99/295102499.db2.gz HXPJPDIKWYKMRN-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Oc1cc[nH+]cc1 ZINC000423900275 434571413 /nfs/dbraw/zinc/57/14/13/434571413.db2.gz HVGIFDDFNCIRRE-UONOGXRCSA-N 2 2 311.385 3.248 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527732173 295122149 /nfs/dbraw/zinc/12/21/49/295122149.db2.gz YDSDTZDDGFDHRG-UHFFFAOYSA-N 2 2 307.388 3.235 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC12CC2 ZINC000527882382 295145055 /nfs/dbraw/zinc/14/50/55/295145055.db2.gz CXSJXOKGDRMNDP-RHSMWYFYSA-N 2 2 314.477 3.213 20 0 DGADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1[nH+]ccc2ccccc21 ZINC000527939818 295154131 /nfs/dbraw/zinc/15/41/31/295154131.db2.gz SUPXUYLKXWIBGF-UHFFFAOYSA-N 2 2 313.445 3.029 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000528007944 295165314 /nfs/dbraw/zinc/16/53/14/295165314.db2.gz DKKNRALHBCGCBG-CABCVRRESA-N 2 2 305.491 3.435 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000528007944 295165317 /nfs/dbraw/zinc/16/53/17/295165317.db2.gz DKKNRALHBCGCBG-CABCVRRESA-N 2 2 305.491 3.435 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1OC ZINC000270681943 295249564 /nfs/dbraw/zinc/24/95/64/295249564.db2.gz VFLHJSAFGOGIID-MRXNPFEDSA-N 2 2 315.417 3.046 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1OC ZINC000270681943 295249565 /nfs/dbraw/zinc/24/95/65/295249565.db2.gz VFLHJSAFGOGIID-MRXNPFEDSA-N 2 2 315.417 3.046 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000349181808 434629374 /nfs/dbraw/zinc/62/93/74/434629374.db2.gz FIBBWRUPNBYXIM-SFHVURJKSA-N 2 2 318.424 3.472 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000349181808 434629377 /nfs/dbraw/zinc/62/93/77/434629377.db2.gz FIBBWRUPNBYXIM-SFHVURJKSA-N 2 2 318.424 3.472 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(F)cc(C)cc1F)CCC2 ZINC000424137641 434632502 /nfs/dbraw/zinc/63/25/02/434632502.db2.gz CGXGROWAXBQTNU-CYBMUJFWSA-N 2 2 305.372 3.445 20 0 DGADLP CCC(CC)[C@@H](CNCc1c[nH+]cn1C(C)C)[NH+]1CCCC1 ZINC000424139437 434634241 /nfs/dbraw/zinc/63/42/41/434634241.db2.gz VHBUXDZAKITAKS-GOSISDBHSA-N 2 2 306.498 3.454 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000349192795 434634668 /nfs/dbraw/zinc/63/46/68/434634668.db2.gz PNFKVJJJGMSLCI-UHFFFAOYSA-N 2 2 305.397 3.202 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000349192795 434634676 /nfs/dbraw/zinc/63/46/76/434634676.db2.gz PNFKVJJJGMSLCI-UHFFFAOYSA-N 2 2 305.397 3.202 20 0 DGADLP CC(C)n1c[nH+]cc1CNc1cccc(OCCC[NH+](C)C)c1 ZINC000424155150 434640085 /nfs/dbraw/zinc/64/00/85/434640085.db2.gz NNSOSQISLZKVBJ-UHFFFAOYSA-N 2 2 316.449 3.407 20 0 DGADLP Fc1ccccc1-c1nc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000360570177 434641218 /nfs/dbraw/zinc/64/12/18/434641218.db2.gz QCGKCCSPWWJCSV-KRWDZBQOSA-N 2 2 317.433 3.135 20 0 DGADLP Fc1ccccc1-c1nc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000360570177 434641225 /nfs/dbraw/zinc/64/12/25/434641225.db2.gz QCGKCCSPWWJCSV-KRWDZBQOSA-N 2 2 317.433 3.135 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354154957 434644029 /nfs/dbraw/zinc/64/40/29/434644029.db2.gz GFZBFUDRNMXLLG-OHSMVPPVSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354154957 434644036 /nfs/dbraw/zinc/64/40/36/434644036.db2.gz GFZBFUDRNMXLLG-OHSMVPPVSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc2ccccc21 ZINC000424330529 434698710 /nfs/dbraw/zinc/69/87/10/434698710.db2.gz IGVYKIXHYWYHOK-FDQGKXFDSA-N 2 2 311.429 3.026 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]c3cc(C)ccn13)CC2 ZINC000439765669 434646548 /nfs/dbraw/zinc/64/65/48/434646548.db2.gz FPSWSTYMVDAAOZ-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](Cc1c[nH+]c3cc(C)ccn13)CC2 ZINC000439765669 434646552 /nfs/dbraw/zinc/64/65/52/434646552.db2.gz FPSWSTYMVDAAOZ-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424176388 434647510 /nfs/dbraw/zinc/64/75/10/434647510.db2.gz RGUSISVFQJDRHZ-ZFWWWQNUSA-N 2 2 304.400 3.429 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354165775 434649312 /nfs/dbraw/zinc/64/93/12/434649312.db2.gz HRVQOFGLXXLWKG-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354165775 434649317 /nfs/dbraw/zinc/64/93/17/434649317.db2.gz HRVQOFGLXXLWKG-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354165775 434649323 /nfs/dbraw/zinc/64/93/23/434649323.db2.gz HRVQOFGLXXLWKG-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354165775 434649329 /nfs/dbraw/zinc/64/93/29/434649329.db2.gz HRVQOFGLXXLWKG-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](C)N2CCc3ccccc3C2)c[nH+]1 ZINC000354187522 434663526 /nfs/dbraw/zinc/66/35/26/434663526.db2.gz HQOOSNIUEUIKKI-SFHVURJKSA-N 2 2 323.484 3.359 20 0 DGADLP COC(=O)CC1CC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000424252913 434666582 /nfs/dbraw/zinc/66/65/82/434666582.db2.gz DUYHHYHEGISYMD-UHFFFAOYSA-N 2 2 322.493 3.107 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000349319847 434671756 /nfs/dbraw/zinc/67/17/56/434671756.db2.gz GMQGTGFEIWSDRJ-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000349319847 434671766 /nfs/dbraw/zinc/67/17/66/434671766.db2.gz GMQGTGFEIWSDRJ-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424286000 434678029 /nfs/dbraw/zinc/67/80/29/434678029.db2.gz FQAVPDYLUQWLQW-VOBQZIQPSA-N 2 2 320.440 3.061 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424286000 434678037 /nfs/dbraw/zinc/67/80/37/434678037.db2.gz FQAVPDYLUQWLQW-VOBQZIQPSA-N 2 2 320.440 3.061 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734141 434680606 /nfs/dbraw/zinc/68/06/06/434680606.db2.gz AEFVGHSLSADBNC-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734141 434680613 /nfs/dbraw/zinc/68/06/13/434680613.db2.gz AEFVGHSLSADBNC-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000360734141 434680618 /nfs/dbraw/zinc/68/06/18/434680618.db2.gz AEFVGHSLSADBNC-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000360734141 434680624 /nfs/dbraw/zinc/68/06/24/434680624.db2.gz AEFVGHSLSADBNC-SUMWQHHRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734138 434681283 /nfs/dbraw/zinc/68/12/83/434681283.db2.gz AEFVGHSLSADBNC-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734138 434681290 /nfs/dbraw/zinc/68/12/90/434681290.db2.gz AEFVGHSLSADBNC-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000360734138 434681293 /nfs/dbraw/zinc/68/12/93/434681293.db2.gz AEFVGHSLSADBNC-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000360734138 434681300 /nfs/dbraw/zinc/68/13/00/434681300.db2.gz AEFVGHSLSADBNC-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP CC(C)c1ccc([C@@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424295107 434682754 /nfs/dbraw/zinc/68/27/54/434682754.db2.gz PSGVKDROXBQFFT-MDASCCDHSA-N 2 2 312.461 3.031 20 0 DGADLP CC(C)c1ccc([C@@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424295107 434682761 /nfs/dbraw/zinc/68/27/61/434682761.db2.gz PSGVKDROXBQFFT-MDASCCDHSA-N 2 2 312.461 3.031 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000371392792 434690246 /nfs/dbraw/zinc/69/02/46/434690246.db2.gz KWWFZOPBVWJLGZ-HNNXBMFYSA-N 2 2 313.445 3.272 20 0 DGADLP Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000360963694 434745952 /nfs/dbraw/zinc/74/59/52/434745952.db2.gz FOQMBJWHFAGJLM-SFHVURJKSA-N 2 2 310.445 3.092 20 0 DGADLP Cc1nc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc[nH+]1 ZINC000360973183 434749844 /nfs/dbraw/zinc/74/98/44/434749844.db2.gz IGFDKARJCVPHOV-OAHLLOKOSA-N 2 2 310.445 3.051 20 0 DGADLP Cc1nc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc[nH+]1 ZINC000360973183 434749849 /nfs/dbraw/zinc/74/98/49/434749849.db2.gz IGFDKARJCVPHOV-OAHLLOKOSA-N 2 2 310.445 3.051 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000349386973 434700493 /nfs/dbraw/zinc/70/04/93/434700493.db2.gz SXPGCYFUYOBJDO-CQSZACIVSA-N 2 2 309.523 3.432 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000349386973 434700500 /nfs/dbraw/zinc/70/05/00/434700500.db2.gz SXPGCYFUYOBJDO-CQSZACIVSA-N 2 2 309.523 3.432 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cs2)cc1 ZINC000424336878 434702187 /nfs/dbraw/zinc/70/21/87/434702187.db2.gz RJEOQJYBZFMQSS-HZPDHXFCSA-N 2 2 317.458 3.178 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000424340922 434702223 /nfs/dbraw/zinc/70/22/23/434702223.db2.gz ZHIISQHNUCOUPB-KBRIMQKVSA-N 2 2 317.477 3.171 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000424338620 434703747 /nfs/dbraw/zinc/70/37/47/434703747.db2.gz UOTAXJBXVXSDPS-HUUCEWRRSA-N 2 2 305.422 3.309 20 0 DGADLP CC(C)(C)C1CCC(O)(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000354291027 434707800 /nfs/dbraw/zinc/70/78/00/434707800.db2.gz ZMKYITRPQOTFIJ-UHFFFAOYSA-N 2 2 315.461 3.391 20 0 DGADLP FC(F)(F)CSCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354289983 434708636 /nfs/dbraw/zinc/70/86/36/434708636.db2.gz OIEKCAUHKLKFIN-UHFFFAOYSA-N 2 2 315.364 3.257 20 0 DGADLP Oc1cc(F)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349412414 434710438 /nfs/dbraw/zinc/71/04/38/434710438.db2.gz CIFNHXJOECNLGX-UHFFFAOYSA-N 2 2 317.408 3.420 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000424376158 434714863 /nfs/dbraw/zinc/71/48/63/434714863.db2.gz ORJYKMFMDAKPJH-WJFTUGDTSA-N 2 2 300.446 3.267 20 0 DGADLP COC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000424380329 434716768 /nfs/dbraw/zinc/71/67/68/434716768.db2.gz WUGMPAPKCXDJNG-RBSFLKMASA-N 2 2 316.367 3.252 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c[nH+]1 ZINC000459782025 434719023 /nfs/dbraw/zinc/71/90/23/434719023.db2.gz XAUIZKPZQFQWBL-CQSZACIVSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1ccc(CCC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c[nH+]1 ZINC000459782025 434719031 /nfs/dbraw/zinc/71/90/31/434719031.db2.gz XAUIZKPZQFQWBL-CQSZACIVSA-N 2 2 306.450 3.232 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411165511 434735354 /nfs/dbraw/zinc/73/53/54/434735354.db2.gz PLAKYMKKCATXJR-UHFFFAOYSA-N 3 2 315.505 3.199 20 0 DGADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2c(Br)cccc12 ZINC000443440667 434778886 /nfs/dbraw/zinc/77/88/86/434778886.db2.gz JLNXQNBAMXZJQS-NSHDSACASA-N 2 2 320.234 3.138 20 0 DGADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2c(Br)cccc12 ZINC000443440667 434778889 /nfs/dbraw/zinc/77/88/89/434778889.db2.gz JLNXQNBAMXZJQS-NSHDSACASA-N 2 2 320.234 3.138 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453059269 434786899 /nfs/dbraw/zinc/78/68/99/434786899.db2.gz PYSLAHGZAUZWCG-JKIFEVAISA-N 2 2 307.401 3.425 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423193377 297286384 /nfs/dbraw/zinc/28/63/84/297286384.db2.gz QMIBVTSLZTWEDH-JTNHKYCSSA-N 2 2 309.251 3.339 20 0 DGADLP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000453060730 434789004 /nfs/dbraw/zinc/78/90/04/434789004.db2.gz ATQOKRCYYYXOQA-SJORKVTESA-N 2 2 315.392 3.059 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000422888213 297358224 /nfs/dbraw/zinc/35/82/24/297358224.db2.gz CDHLILIEZCSUGB-GJJHYRHESA-N 3 2 315.505 3.134 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000422888213 297358225 /nfs/dbraw/zinc/35/82/25/297358225.db2.gz CDHLILIEZCSUGB-GJJHYRHESA-N 3 2 315.505 3.134 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000361081189 434790726 /nfs/dbraw/zinc/79/07/26/434790726.db2.gz XBGORECHKOIZDI-BXWFABGCSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000361081189 434790727 /nfs/dbraw/zinc/79/07/27/434790727.db2.gz XBGORECHKOIZDI-BXWFABGCSA-N 2 2 312.461 3.389 20 0 DGADLP CC(C)OCCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445288585 434793086 /nfs/dbraw/zinc/79/30/86/434793086.db2.gz QEBHZEVPOFEVKL-UHFFFAOYSA-N 2 2 310.404 3.150 20 0 DGADLP CC(C)OCCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445288585 434793090 /nfs/dbraw/zinc/79/30/90/434793090.db2.gz QEBHZEVPOFEVKL-UHFFFAOYSA-N 2 2 310.404 3.150 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077008 434793049 /nfs/dbraw/zinc/79/30/49/434793049.db2.gz AGHYGIVVYVIEDL-GJZGRUSLSA-N 2 2 316.474 3.101 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077008 434793053 /nfs/dbraw/zinc/79/30/53/434793053.db2.gz AGHYGIVVYVIEDL-GJZGRUSLSA-N 2 2 316.474 3.101 20 0 DGADLP Cc1nc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000361159448 434817518 /nfs/dbraw/zinc/81/75/18/434817518.db2.gz LWBZDLNTQPKWGB-OAHLLOKOSA-N 2 2 316.474 3.154 20 0 DGADLP Cc1cccc2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n21 ZINC000372405091 434821031 /nfs/dbraw/zinc/82/10/31/434821031.db2.gz RKQJQEKWKVVVBD-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccc2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n21 ZINC000372405091 434821037 /nfs/dbraw/zinc/82/10/37/434821037.db2.gz RKQJQEKWKVVVBD-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361188539 434824257 /nfs/dbraw/zinc/82/42/57/434824257.db2.gz LICINZJRYSWQCM-KSSFIOAISA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361188539 434824261 /nfs/dbraw/zinc/82/42/61/434824261.db2.gz LICINZJRYSWQCM-KSSFIOAISA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000361188539 434824266 /nfs/dbraw/zinc/82/42/66/434824266.db2.gz LICINZJRYSWQCM-KSSFIOAISA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000361188539 434824273 /nfs/dbraw/zinc/82/42/73/434824273.db2.gz LICINZJRYSWQCM-KSSFIOAISA-N 2 2 318.436 3.283 20 0 DGADLP C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524234 434837316 /nfs/dbraw/zinc/83/73/16/434837316.db2.gz UMXDVOKIEIKWDY-SNRMKQJTSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524234 434837319 /nfs/dbraw/zinc/83/73/19/434837319.db2.gz UMXDVOKIEIKWDY-SNRMKQJTSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@@H](c1cccnc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524234 434837323 /nfs/dbraw/zinc/83/73/23/434837323.db2.gz UMXDVOKIEIKWDY-SNRMKQJTSA-N 2 2 310.445 3.162 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)CCC2 ZINC000361239335 434838074 /nfs/dbraw/zinc/83/80/74/434838074.db2.gz YODDCEZXTDZRJT-JYJNAYRXSA-N 2 2 305.466 3.251 20 0 DGADLP CC[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCOC1 ZINC000453241079 434839382 /nfs/dbraw/zinc/83/93/82/434839382.db2.gz VFFKUHTWQVAXIL-BBRMVZONSA-N 2 2 319.836 3.430 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266863 434844645 /nfs/dbraw/zinc/84/46/45/434844645.db2.gz OQGUTEANUWQLPD-GDBMZVCRSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266863 434844648 /nfs/dbraw/zinc/84/46/48/434844648.db2.gz OQGUTEANUWQLPD-GDBMZVCRSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266873 434845001 /nfs/dbraw/zinc/84/50/01/434845001.db2.gz OQGUTEANUWQLPD-ZBFHGGJFSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266873 434845004 /nfs/dbraw/zinc/84/50/04/434845004.db2.gz OQGUTEANUWQLPD-ZBFHGGJFSA-N 2 2 318.486 3.399 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000453274542 434845949 /nfs/dbraw/zinc/84/59/49/434845949.db2.gz WKMDMPCUZAIQOL-SJLPKXTDSA-N 2 2 322.518 3.416 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000453274542 434845951 /nfs/dbraw/zinc/84/59/51/434845951.db2.gz WKMDMPCUZAIQOL-SJLPKXTDSA-N 2 2 322.518 3.416 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000453269757 434846842 /nfs/dbraw/zinc/84/68/42/434846842.db2.gz RSSYNLPLPZMGGU-KSSFIOAISA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000453269757 434846845 /nfs/dbraw/zinc/84/68/45/434846845.db2.gz RSSYNLPLPZMGGU-KSSFIOAISA-N 2 2 322.880 3.154 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278630 434848406 /nfs/dbraw/zinc/84/84/06/434848406.db2.gz YZTNYPGIZXNFLY-KXBFYZLASA-N 2 2 302.462 3.061 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278630 434848409 /nfs/dbraw/zinc/84/84/09/434848409.db2.gz YZTNYPGIZXNFLY-KXBFYZLASA-N 2 2 302.462 3.061 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1csnn1 ZINC000412031865 434858473 /nfs/dbraw/zinc/85/84/73/434858473.db2.gz CUJPGSPCJQKAKD-AWEZNQCLSA-N 2 2 316.474 3.375 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(C)CCCC3)c2cc1C ZINC000521228002 434877065 /nfs/dbraw/zinc/87/70/65/434877065.db2.gz FOTNKRJAIGDXRL-MRXNPFEDSA-N 2 2 315.461 3.184 20 0 DGADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000553272528 434884637 /nfs/dbraw/zinc/88/46/37/434884637.db2.gz AWVMBJSEIAJJBG-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000553757707 434901977 /nfs/dbraw/zinc/90/19/77/434901977.db2.gz USQLCOARJHFGQG-QZTJIDSGSA-N 2 2 315.505 3.365 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000553757707 434901980 /nfs/dbraw/zinc/90/19/80/434901980.db2.gz USQLCOARJHFGQG-QZTJIDSGSA-N 2 2 315.505 3.365 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)cc1O ZINC000637949674 434914365 /nfs/dbraw/zinc/91/43/65/434914365.db2.gz AUTOLMBJZCYFSC-NSHDSACASA-N 2 2 321.808 3.157 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)cc1O ZINC000637949674 434914367 /nfs/dbraw/zinc/91/43/67/434914367.db2.gz AUTOLMBJZCYFSC-NSHDSACASA-N 2 2 321.808 3.157 20 0 DGADLP Clc1cccc2c(N3CC[NH+](CC4CC4)CC3)cc[nH+]c12 ZINC000552953349 434874122 /nfs/dbraw/zinc/87/41/22/434874122.db2.gz MCMCCQRYQRFRMW-UHFFFAOYSA-N 2 2 301.821 3.420 20 0 DGADLP O=C(/C=C\c1ccc(F)cc1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491881012 434875532 /nfs/dbraw/zinc/87/55/32/434875532.db2.gz FROSFTZNPNIHMI-UTCJRWHESA-N 2 2 308.316 3.058 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000573912483 434935565 /nfs/dbraw/zinc/93/55/65/434935565.db2.gz WLSNCANAQOSTRN-HNAYVOBHSA-N 2 2 323.440 3.169 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000638076487 434948007 /nfs/dbraw/zinc/94/80/07/434948007.db2.gz LEPZLUROLTYUOE-ZDUSSCGKSA-N 2 2 300.368 3.175 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000638076487 434948010 /nfs/dbraw/zinc/94/80/10/434948010.db2.gz LEPZLUROLTYUOE-ZDUSSCGKSA-N 2 2 300.368 3.175 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000574096727 434948623 /nfs/dbraw/zinc/94/86/23/434948623.db2.gz HADTZQIKHQBDLN-QGZVFWFLSA-N 2 2 323.362 3.202 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000574096727 434948627 /nfs/dbraw/zinc/94/86/27/434948627.db2.gz HADTZQIKHQBDLN-QGZVFWFLSA-N 2 2 323.362 3.202 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CCC2 ZINC000574124799 434951669 /nfs/dbraw/zinc/95/16/69/434951669.db2.gz KGMVUWLPWCLJLT-GXTWGEPZSA-N 2 2 322.449 3.072 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000638104502 434952048 /nfs/dbraw/zinc/95/20/48/434952048.db2.gz IKSFNYGFRCBEMR-HNNXBMFYSA-N 2 2 309.404 3.470 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000638104502 434952051 /nfs/dbraw/zinc/95/20/51/434952051.db2.gz IKSFNYGFRCBEMR-HNNXBMFYSA-N 2 2 309.404 3.470 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116452 434958003 /nfs/dbraw/zinc/95/80/03/434958003.db2.gz XYWMRPNESUPZOF-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116452 434958006 /nfs/dbraw/zinc/95/80/06/434958006.db2.gz XYWMRPNESUPZOF-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116452 434958007 /nfs/dbraw/zinc/95/80/07/434958007.db2.gz XYWMRPNESUPZOF-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)[C@@H](C)C1 ZINC000638116452 434958010 /nfs/dbraw/zinc/95/80/10/434958010.db2.gz XYWMRPNESUPZOF-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP C[C@H]1C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000523732331 434961173 /nfs/dbraw/zinc/96/11/73/434961173.db2.gz HQXOTBJPYOKZSW-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000523732331 434961174 /nfs/dbraw/zinc/96/11/74/434961174.db2.gz HQXOTBJPYOKZSW-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000523803258 434962893 /nfs/dbraw/zinc/96/28/93/434962893.db2.gz KIMPCACYKBJTJI-UHFFFAOYSA-N 2 2 324.852 3.373 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000523803258 434962895 /nfs/dbraw/zinc/96/28/95/434962895.db2.gz KIMPCACYKBJTJI-UHFFFAOYSA-N 2 2 324.852 3.373 20 0 DGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)C1 ZINC000464056608 434974816 /nfs/dbraw/zinc/97/48/16/434974816.db2.gz LCWQNBPUECFLQA-ZJPYXAASSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)C1 ZINC000464056608 434974822 /nfs/dbraw/zinc/97/48/22/434974822.db2.gz LCWQNBPUECFLQA-ZJPYXAASSA-N 2 2 306.494 3.188 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000462801576 434929835 /nfs/dbraw/zinc/92/98/35/434929835.db2.gz CNJDTWJHPHPXFZ-RCCFBDPRSA-N 2 2 304.478 3.471 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000462801575 434929983 /nfs/dbraw/zinc/92/99/83/434929983.db2.gz CNJDTWJHPHPXFZ-OKZBNKHCSA-N 2 2 304.478 3.471 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000462832069 434932629 /nfs/dbraw/zinc/93/26/29/434932629.db2.gz GSJDTODVZQDTFV-UXPWSPDFSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000462832069 434932630 /nfs/dbraw/zinc/93/26/30/434932630.db2.gz GSJDTODVZQDTFV-UXPWSPDFSA-N 2 2 316.489 3.302 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841914 434933616 /nfs/dbraw/zinc/93/36/16/434933616.db2.gz PXAJNNHSRBACKV-UHOSZYNNSA-N 2 2 304.478 3.302 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841914 434933619 /nfs/dbraw/zinc/93/36/19/434933619.db2.gz PXAJNNHSRBACKV-UHOSZYNNSA-N 2 2 304.478 3.302 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCCC2 ZINC000556610069 435014906 /nfs/dbraw/zinc/01/49/06/435014906.db2.gz XTOPYDALVAOWOQ-DLBZAZTESA-N 2 2 317.477 3.437 20 0 DGADLP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000638386017 435018812 /nfs/dbraw/zinc/01/88/12/435018812.db2.gz NSXSDEHAVIODSN-LJQANCHMSA-N 2 2 320.452 3.195 20 0 DGADLP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408418 435022832 /nfs/dbraw/zinc/02/28/32/435022832.db2.gz HGOSZNDIYYYZQG-CMKODMSKSA-N 2 2 313.489 3.038 20 0 DGADLP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638408418 435022834 /nfs/dbraw/zinc/02/28/34/435022834.db2.gz HGOSZNDIYYYZQG-CMKODMSKSA-N 2 2 313.489 3.038 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000574519332 434985308 /nfs/dbraw/zinc/98/53/08/434985308.db2.gz OIXYPMSZEAGSRB-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000574519332 434985313 /nfs/dbraw/zinc/98/53/13/434985313.db2.gz OIXYPMSZEAGSRB-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000574629871 434991958 /nfs/dbraw/zinc/99/19/58/434991958.db2.gz AHMQNMUHCSCQDO-PKOBYXMFSA-N 3 2 303.494 3.017 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000574629871 434991962 /nfs/dbraw/zinc/99/19/62/434991962.db2.gz AHMQNMUHCSCQDO-PKOBYXMFSA-N 3 2 303.494 3.017 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000638287946 434998299 /nfs/dbraw/zinc/99/82/99/434998299.db2.gz XTNJNGPPUXDNPE-GOSISDBHSA-N 2 2 313.420 3.335 20 0 DGADLP Cc1cc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)sn1 ZINC000638297778 435000624 /nfs/dbraw/zinc/00/06/24/435000624.db2.gz LFTGBJJMMVBUBI-UHFFFAOYSA-N 2 2 300.431 3.290 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000638448489 435033219 /nfs/dbraw/zinc/03/32/19/435033219.db2.gz DHDLDTXVBATALC-GPJFCIFZSA-N 2 2 324.472 3.231 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000638448489 435033223 /nfs/dbraw/zinc/03/32/23/435033223.db2.gz DHDLDTXVBATALC-GPJFCIFZSA-N 2 2 324.472 3.231 20 0 DGADLP C[NH+](C)Cc1cc(C[NH2+]Cc2nc3ccccc3o2)ccc1F ZINC000638634165 435062791 /nfs/dbraw/zinc/06/27/91/435062791.db2.gz IYTKCPRLNGMIIW-UHFFFAOYSA-N 2 2 313.376 3.318 20 0 DGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000492863735 435063447 /nfs/dbraw/zinc/06/34/47/435063447.db2.gz MWMDOCOQSDEJRC-FPLPWBNLSA-N 2 2 310.401 3.048 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000638669780 435066923 /nfs/dbraw/zinc/06/69/23/435066923.db2.gz BOMVJEPGHMKAQP-IUODEOHRSA-N 2 2 322.503 3.081 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000638669780 435066926 /nfs/dbraw/zinc/06/69/26/435066926.db2.gz BOMVJEPGHMKAQP-IUODEOHRSA-N 2 2 322.503 3.081 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400332 435087150 /nfs/dbraw/zinc/08/71/50/435087150.db2.gz MLOIBYRSFGVRCF-CWDCEQMOSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400332 435087153 /nfs/dbraw/zinc/08/71/53/435087153.db2.gz MLOIBYRSFGVRCF-CWDCEQMOSA-N 2 2 306.400 3.396 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)OC ZINC000638788207 435089279 /nfs/dbraw/zinc/08/92/79/435089279.db2.gz DROPTPZCXZWHJJ-FRQCXROJSA-N 2 2 319.493 3.258 20 0 DGADLP CC[C@@](C)(C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)OC ZINC000638788803 435089363 /nfs/dbraw/zinc/08/93/63/435089363.db2.gz WXTDLCKHNFUQLQ-QAPCUYQASA-N 2 2 305.466 3.012 20 0 DGADLP Cc1ccc([C@H](C[NH2+]C2CC(n3cccn3)C2)[NH+]2CCCC2)cc1 ZINC000638455224 435035968 /nfs/dbraw/zinc/03/59/68/435035968.db2.gz SXQYFXISKCLXBE-MHJFOBGBSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638788465 435089895 /nfs/dbraw/zinc/08/98/95/435089895.db2.gz KLRXEGHCEUBFAQ-CKEIUWERSA-N 2 2 305.491 3.091 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000638518788 435045127 /nfs/dbraw/zinc/04/51/27/435045127.db2.gz QDXONUVCYNBLFL-UHFFFAOYSA-N 2 2 321.428 3.315 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563782 435053477 /nfs/dbraw/zinc/05/34/77/435053477.db2.gz COOBIPVAINMJBI-BJMVHTGZSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563782 435053481 /nfs/dbraw/zinc/05/34/81/435053481.db2.gz COOBIPVAINMJBI-BJMVHTGZSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000638603142 435057273 /nfs/dbraw/zinc/05/72/73/435057273.db2.gz ZTUQEYITJKXVGK-MRXNPFEDSA-N 2 2 314.477 3.072 20 0 DGADLP CCCC[N@@H+]1CCCC[C@H]1CNCc1cn2cc(C)ccc2[nH+]1 ZINC000560050950 435148844 /nfs/dbraw/zinc/14/88/44/435148844.db2.gz URMQQWWGDXBCAX-SFHVURJKSA-N 2 2 314.477 3.387 20 0 DGADLP CCCC[N@H+]1CCCC[C@H]1CNCc1cn2cc(C)ccc2[nH+]1 ZINC000560050950 435148846 /nfs/dbraw/zinc/14/88/46/435148846.db2.gz URMQQWWGDXBCAX-SFHVURJKSA-N 2 2 314.477 3.387 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814545 435094261 /nfs/dbraw/zinc/09/42/61/435094261.db2.gz DJVALGZZCKPZAW-UCLAIMLFSA-N 2 2 310.445 3.428 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814545 435094264 /nfs/dbraw/zinc/09/42/64/435094264.db2.gz DJVALGZZCKPZAW-UCLAIMLFSA-N 2 2 310.445 3.428 20 0 DGADLP CC[C@@H](C)[C@@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)OC ZINC000638871293 435110217 /nfs/dbraw/zinc/11/02/17/435110217.db2.gz KUTLGWXAOQLVAL-RHSMWYFYSA-N 2 2 303.450 3.157 20 0 DGADLP COc1cc(C[NH2+]CCCNc2cccc[nH+]2)c(Cl)cc1O ZINC000638873787 435110406 /nfs/dbraw/zinc/11/04/06/435110406.db2.gz LNLBTNOUUUKUDU-UHFFFAOYSA-N 2 2 321.808 3.041 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000578979036 435123750 /nfs/dbraw/zinc/12/37/50/435123750.db2.gz LCRWCGFADSUXOP-SLFFLAALSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000559307126 435128158 /nfs/dbraw/zinc/12/81/58/435128158.db2.gz OOOAMVIBJPLMKQ-BPLDGKMQSA-N 2 2 300.368 3.262 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000559307126 435128160 /nfs/dbraw/zinc/12/81/60/435128160.db2.gz OOOAMVIBJPLMKQ-BPLDGKMQSA-N 2 2 300.368 3.262 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C(C)C)cc1 ZINC000531945111 435128447 /nfs/dbraw/zinc/12/84/47/435128447.db2.gz SOMPIXJUBCVRKH-NIKGAXFTSA-N 2 2 302.462 3.465 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C(C)C)cc1 ZINC000531945111 435128451 /nfs/dbraw/zinc/12/84/51/435128451.db2.gz SOMPIXJUBCVRKH-NIKGAXFTSA-N 2 2 302.462 3.465 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000531956415 435128867 /nfs/dbraw/zinc/12/88/67/435128867.db2.gz LGYZYXVKXHHCQP-CYBMUJFWSA-N 2 2 321.396 3.170 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCOC1 ZINC000531957772 435129376 /nfs/dbraw/zinc/12/93/76/435129376.db2.gz FVRLIUMSUUZSBN-LULLPPNCSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCOC1 ZINC000531957772 435129379 /nfs/dbraw/zinc/12/93/79/435129379.db2.gz FVRLIUMSUUZSBN-LULLPPNCSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]CCC1CCOCC1)[NH+](C)C ZINC000639089282 435150215 /nfs/dbraw/zinc/15/02/15/435150215.db2.gz AMCNOYOLDMMCCK-APWZRJJASA-N 2 2 304.478 3.393 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532228803 435150202 /nfs/dbraw/zinc/15/02/02/435150202.db2.gz CULWXDWXNQZTDS-SHARSMKWSA-N 2 2 322.415 3.077 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532228803 435150207 /nfs/dbraw/zinc/15/02/07/435150207.db2.gz CULWXDWXNQZTDS-SHARSMKWSA-N 2 2 322.415 3.077 20 0 DGADLP CCOC1CC(C[NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000639090122 435150306 /nfs/dbraw/zinc/15/03/06/435150306.db2.gz GEKZWHDGQIRVFQ-BOMAWHNGSA-N 2 2 304.478 3.391 20 0 DGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)Cc3cnccn3)cc2)c1C ZINC000639198176 435195532 /nfs/dbraw/zinc/19/55/32/435195532.db2.gz OJTAFDBOADUDGX-CYBMUJFWSA-N 2 2 307.401 3.322 20 0 DGADLP Cc1nocc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639227392 435203985 /nfs/dbraw/zinc/20/39/85/435203985.db2.gz MDWLBVBZXPDOCQ-IEBWSBKVSA-N 2 2 311.429 3.441 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OCc2cccnc2)cc1 ZINC000580144700 435207940 /nfs/dbraw/zinc/20/79/40/435207940.db2.gz IXKNHFWIUTXBDS-AWEZNQCLSA-N 2 2 308.385 3.235 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000639101761 435156313 /nfs/dbraw/zinc/15/63/13/435156313.db2.gz DNVMCIKVTIZRAK-UHFFFAOYSA-N 2 2 312.461 3.150 20 0 DGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cs1 ZINC000579488857 435159332 /nfs/dbraw/zinc/15/93/32/435159332.db2.gz UXDVASXXVAABJX-QWHCGFSZSA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cs1 ZINC000579488857 435159338 /nfs/dbraw/zinc/15/93/38/435159338.db2.gz UXDVASXXVAABJX-QWHCGFSZSA-N 2 2 317.458 3.130 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000474823973 435163751 /nfs/dbraw/zinc/16/37/51/435163751.db2.gz XLFPGQFORCKLME-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000474823973 435163757 /nfs/dbraw/zinc/16/37/57/435163757.db2.gz XLFPGQFORCKLME-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc(C2([NH2+]Cc3c[nH+]c4ccc(C)cn34)CC2)cc1 ZINC000532497481 435171506 /nfs/dbraw/zinc/17/15/06/435171506.db2.gz JFKNZLFXGGWDIR-UHFFFAOYSA-N 2 2 307.397 3.430 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n(C)n1 ZINC000639146210 435171652 /nfs/dbraw/zinc/17/16/52/435171652.db2.gz BCTLXPVAIWPUSJ-YLJYHZDGSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n(C)n1 ZINC000639146210 435171656 /nfs/dbraw/zinc/17/16/56/435171656.db2.gz BCTLXPVAIWPUSJ-YLJYHZDGSA-N 2 2 324.472 3.186 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]C[C@H](OC)C3CC3)ccc2n1C1CC1 ZINC000639141983 435172313 /nfs/dbraw/zinc/17/23/13/435172313.db2.gz LVTALUGXPTXBPY-SFHVURJKSA-N 2 2 313.445 3.448 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCC2 ZINC000639149871 435173996 /nfs/dbraw/zinc/17/39/96/435173996.db2.gz VMKFXFRSCPCMIU-HZPDHXFCSA-N 2 2 317.477 3.435 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700264 435174645 /nfs/dbraw/zinc/17/46/45/435174645.db2.gz XNVGJLAFLPANGZ-WBVHZDCISA-N 2 2 319.497 3.136 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700264 435174648 /nfs/dbraw/zinc/17/46/48/435174648.db2.gz XNVGJLAFLPANGZ-WBVHZDCISA-N 2 2 319.497 3.136 20 0 DGADLP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587801 435177813 /nfs/dbraw/zinc/17/78/13/435177813.db2.gz ZEFDPYYCITUFEU-RTBURBONSA-N 2 2 316.489 3.327 20 0 DGADLP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587801 435177818 /nfs/dbraw/zinc/17/78/18/435177818.db2.gz ZEFDPYYCITUFEU-RTBURBONSA-N 2 2 316.489 3.327 20 0 DGADLP Cc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000642242407 435214673 /nfs/dbraw/zinc/21/46/73/435214673.db2.gz ROAUJQYIKQQTJR-UHFFFAOYSA-N 2 2 323.484 3.297 20 0 DGADLP CC[C@@H](C)[C@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241016 435211454 /nfs/dbraw/zinc/21/14/54/435211454.db2.gz AHUQXDCNDUOTDV-HIFRSBDPSA-N 2 2 324.431 3.396 20 0 DGADLP CC[C@@H](C)[C@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241016 435211456 /nfs/dbraw/zinc/21/14/56/435211456.db2.gz AHUQXDCNDUOTDV-HIFRSBDPSA-N 2 2 324.431 3.396 20 0 DGADLP CO[C@@H](C[NH2+]CCc1cn2c(cccc2C)[nH+]1)Cc1ccccc1 ZINC000639288822 435229978 /nfs/dbraw/zinc/22/99/78/435229978.db2.gz HKSNZWYRJQURTH-LJQANCHMSA-N 2 2 323.440 3.033 20 0 DGADLP C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000533433159 435233586 /nfs/dbraw/zinc/23/35/86/435233586.db2.gz LNAHNCREMVVDRE-KRWDZBQOSA-N 2 2 321.424 3.255 20 0 DGADLP C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000533433159 435233590 /nfs/dbraw/zinc/23/35/90/435233590.db2.gz LNAHNCREMVVDRE-KRWDZBQOSA-N 2 2 321.424 3.255 20 0 DGADLP Cc1scc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1C ZINC000639302855 435235603 /nfs/dbraw/zinc/23/56/03/435235603.db2.gz ONJFGAAAFRCLGL-KRWDZBQOSA-N 2 2 308.491 3.052 20 0 DGADLP Cc1scc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1C ZINC000639302855 435235607 /nfs/dbraw/zinc/23/56/07/435235607.db2.gz ONJFGAAAFRCLGL-KRWDZBQOSA-N 2 2 308.491 3.052 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000639304156 435235812 /nfs/dbraw/zinc/23/58/12/435235812.db2.gz YQDSEYVYXLWPQV-MISYRCLQSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000639304156 435235818 /nfs/dbraw/zinc/23/58/18/435235818.db2.gz YQDSEYVYXLWPQV-MISYRCLQSA-N 2 2 313.489 3.119 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c(F)c1 ZINC000580438626 435235985 /nfs/dbraw/zinc/23/59/85/435235985.db2.gz WGJUJINBWKZEGK-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c(F)c1 ZINC000580438626 435235991 /nfs/dbraw/zinc/23/59/91/435235991.db2.gz WGJUJINBWKZEGK-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c(F)c1 ZINC000580438626 435236002 /nfs/dbraw/zinc/23/60/02/435236002.db2.gz WGJUJINBWKZEGK-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000639311220 435238095 /nfs/dbraw/zinc/23/80/95/435238095.db2.gz VOENADWYKMRQST-PKOBYXMFSA-N 2 2 324.472 3.254 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000561976105 435243043 /nfs/dbraw/zinc/24/30/43/435243043.db2.gz MDCWSJYCTIRKSN-ZDUSSCGKSA-N 2 2 321.371 3.319 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000561976105 435243047 /nfs/dbraw/zinc/24/30/47/435243047.db2.gz MDCWSJYCTIRKSN-ZDUSSCGKSA-N 2 2 321.371 3.319 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000583945289 435259602 /nfs/dbraw/zinc/25/96/02/435259602.db2.gz PQBUBKOXWKPCTO-AOIWGVFYSA-N 3 2 312.461 3.101 20 0 DGADLP O[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@@H](c2ccccc2)C1 ZINC000639365747 435267215 /nfs/dbraw/zinc/26/72/15/435267215.db2.gz GBAFXSMCSCEKSB-ZWKOTPCHSA-N 2 2 307.397 3.032 20 0 DGADLP O[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H](c2ccccc2)C1 ZINC000639365747 435267221 /nfs/dbraw/zinc/26/72/21/435267221.db2.gz GBAFXSMCSCEKSB-ZWKOTPCHSA-N 2 2 307.397 3.032 20 0 DGADLP O[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@@H](c2ccccc2)C1 ZINC000639365745 435267714 /nfs/dbraw/zinc/26/77/14/435267714.db2.gz GBAFXSMCSCEKSB-QZTJIDSGSA-N 2 2 307.397 3.032 20 0 DGADLP O[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H](c2ccccc2)C1 ZINC000639365745 435267717 /nfs/dbraw/zinc/26/77/17/435267717.db2.gz GBAFXSMCSCEKSB-QZTJIDSGSA-N 2 2 307.397 3.032 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375033 435272879 /nfs/dbraw/zinc/27/28/79/435272879.db2.gz PIEYOGUSHJAFPU-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000639378971 435274951 /nfs/dbraw/zinc/27/49/51/435274951.db2.gz KCFBSTGRFAETRT-UHFFFAOYSA-N 2 2 300.446 3.269 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000639380340 435276314 /nfs/dbraw/zinc/27/63/14/435276314.db2.gz XLUTWKRLLLMHQT-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000639397724 435284045 /nfs/dbraw/zinc/28/40/45/435284045.db2.gz OJESWIPPRRFSDI-QGZVFWFLSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000639397724 435284052 /nfs/dbraw/zinc/28/40/52/435284052.db2.gz OJESWIPPRRFSDI-QGZVFWFLSA-N 2 2 315.848 3.414 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000648429279 435296383 /nfs/dbraw/zinc/29/63/83/435296383.db2.gz KMMRZIWSZADENP-MOPGFXCFSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000648429281 435297820 /nfs/dbraw/zinc/29/78/20/435297820.db2.gz KMMRZIWSZADENP-RBUKOAKNSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000534798596 435301851 /nfs/dbraw/zinc/30/18/51/435301851.db2.gz NLRJPZQRFOYSPH-XMTFNYHQSA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000534798596 435301854 /nfs/dbraw/zinc/30/18/54/435301854.db2.gz NLRJPZQRFOYSPH-XMTFNYHQSA-N 2 2 306.494 3.188 20 0 DGADLP CCCc1ccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000567286111 435305428 /nfs/dbraw/zinc/30/54/28/435305428.db2.gz APZBQTCAUKXGCC-KRWDZBQOSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000648495186 435321062 /nfs/dbraw/zinc/32/10/62/435321062.db2.gz OXUCJFUFWCHUGH-KRWDZBQOSA-N 2 2 309.457 3.267 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506028 435323931 /nfs/dbraw/zinc/32/39/31/435323931.db2.gz BSTWWDWFTIAYNI-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506028 435323935 /nfs/dbraw/zinc/32/39/35/435323935.db2.gz BSTWWDWFTIAYNI-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506028 435323938 /nfs/dbraw/zinc/32/39/38/435323938.db2.gz BSTWWDWFTIAYNI-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506028 435323943 /nfs/dbraw/zinc/32/39/43/435323943.db2.gz BSTWWDWFTIAYNI-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457526 435329888 /nfs/dbraw/zinc/32/98/88/435329888.db2.gz IOWQDXREONGORS-XUVXKRRUSA-N 3 2 315.505 3.148 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457526 435329892 /nfs/dbraw/zinc/32/98/92/435329892.db2.gz IOWQDXREONGORS-XUVXKRRUSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643457510 435330965 /nfs/dbraw/zinc/33/09/65/435330965.db2.gz HKYXVCPMKUNVJP-HOJAQTOUSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643457510 435330970 /nfs/dbraw/zinc/33/09/70/435330970.db2.gz HKYXVCPMKUNVJP-HOJAQTOUSA-N 3 2 315.505 3.019 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])CCO2 ZINC000643482465 435333852 /nfs/dbraw/zinc/33/38/52/435333852.db2.gz PIZHANQSEAEOHG-BRWVUGGUSA-N 2 2 304.434 3.159 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000643480690 435333913 /nfs/dbraw/zinc/33/39/13/435333913.db2.gz RLZZFHJMEFPOQH-OSAQELSMSA-N 2 2 310.388 3.299 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Br)s1 ZINC000643500897 435336029 /nfs/dbraw/zinc/33/60/29/435336029.db2.gz HCAYSFKAHCBABY-VHSXEESVSA-N 2 2 303.269 3.303 20 0 DGADLP Fc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1F ZINC000535573430 435336833 /nfs/dbraw/zinc/33/68/33/435336833.db2.gz AHHMINLLMQYXSQ-UHFFFAOYSA-N 2 2 303.356 3.436 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)cs1 ZINC000643502888 435338081 /nfs/dbraw/zinc/33/80/81/435338081.db2.gz UOENPPILXMTBAC-MWLCHTKSSA-N 2 2 303.269 3.303 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC[NH2+]C2CC2)cnn1-c1cccc(Cl)c1 ZINC000643505949 435339401 /nfs/dbraw/zinc/33/94/01/435339401.db2.gz FPSHDMQREHGVGI-GFCCVEGCSA-N 2 2 318.852 3.237 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@@H+]1C1CC1 ZINC000643532803 435343929 /nfs/dbraw/zinc/34/39/29/435343929.db2.gz KUBIGMQJELKKBY-IFIJOSMWSA-N 2 2 315.461 3.086 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@H+]1C1CC1 ZINC000643532803 435343932 /nfs/dbraw/zinc/34/39/32/435343932.db2.gz KUBIGMQJELKKBY-IFIJOSMWSA-N 2 2 315.461 3.086 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000643526532 435344866 /nfs/dbraw/zinc/34/48/66/435344866.db2.gz AQFGLPXRLIHGLR-WBMJQRKESA-N 2 2 306.356 3.314 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1F ZINC000643537828 435346174 /nfs/dbraw/zinc/34/61/74/435346174.db2.gz RSVAIOLVGYBYOT-QBYUYEEZSA-N 2 2 324.415 3.150 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000643538047 435346360 /nfs/dbraw/zinc/34/63/60/435346360.db2.gz XITSSZYCBKCGCO-MWODSPESSA-N 2 2 303.208 3.270 20 0 DGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537346 435347347 /nfs/dbraw/zinc/34/73/47/435347347.db2.gz FSZABOXVCXXXBY-YDHLFZDLSA-N 2 2 312.816 3.152 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000643546842 435349842 /nfs/dbraw/zinc/34/98/42/435349842.db2.gz VUBSKXGOGQLOKO-NVXWUHKLSA-N 3 2 310.445 3.198 20 0 DGADLP [NH3+][C@H](CCC(=O)Nc1ccc2[nH+]ccn2c1)CC1CCCCC1 ZINC000567794364 435355600 /nfs/dbraw/zinc/35/56/00/435355600.db2.gz VHILYHFAKMTVKX-OAHLLOKOSA-N 2 2 314.433 3.351 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000480010661 435360547 /nfs/dbraw/zinc/36/05/47/435360547.db2.gz DXSQGKPYDCCCNH-BJZITVGISA-N 2 2 320.452 3.005 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000480010661 435360551 /nfs/dbraw/zinc/36/05/51/435360551.db2.gz DXSQGKPYDCCCNH-BJZITVGISA-N 2 2 320.452 3.005 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000567831158 435361424 /nfs/dbraw/zinc/36/14/24/435361424.db2.gz QVIVTZOBHOVFOL-CYBMUJFWSA-N 2 2 322.412 3.393 20 0 DGADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1cccs1 ZINC000479955883 435361404 /nfs/dbraw/zinc/36/14/04/435361404.db2.gz KPXDKMQUCMVWTR-OKILXGFUSA-N 2 2 302.418 3.205 20 0 DGADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1cccs1 ZINC000479955883 435361410 /nfs/dbraw/zinc/36/14/10/435361410.db2.gz KPXDKMQUCMVWTR-OKILXGFUSA-N 2 2 302.418 3.205 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000480023887 435362111 /nfs/dbraw/zinc/36/21/11/435362111.db2.gz YKPWSWOIAULYKL-IEBWSBKVSA-N 2 2 304.478 3.311 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000512576344 435363336 /nfs/dbraw/zinc/36/33/36/435363336.db2.gz BRGUYNIDYUWNEU-LRDDRELGSA-N 2 2 312.404 3.052 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000512576344 435363342 /nfs/dbraw/zinc/36/33/42/435363342.db2.gz BRGUYNIDYUWNEU-LRDDRELGSA-N 2 2 312.404 3.052 20 0 DGADLP CC1=Nc2ccccc2C12CC[NH+](Cc1cc[nH+]c(N)c1)CC2 ZINC000639728464 435401592 /nfs/dbraw/zinc/40/15/92/435401592.db2.gz IAIYGCSDQZNKFJ-UHFFFAOYSA-N 2 2 306.413 3.304 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000568273458 435419542 /nfs/dbraw/zinc/41/95/42/435419542.db2.gz SAOBLRANDNZQFX-RHSMWYFYSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000568273458 435419547 /nfs/dbraw/zinc/41/95/47/435419547.db2.gz SAOBLRANDNZQFX-RHSMWYFYSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]c1C ZINC000568273458 435419551 /nfs/dbraw/zinc/41/95/51/435419551.db2.gz SAOBLRANDNZQFX-RHSMWYFYSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1ccc(NC(=O)N(C)CCCC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000639797109 435422822 /nfs/dbraw/zinc/42/28/22/435422822.db2.gz ZUSLUOWKZLNQCR-UHFFFAOYSA-N 2 2 318.465 3.428 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000480269065 435372794 /nfs/dbraw/zinc/37/27/94/435372794.db2.gz ULQDPAJVZMINIY-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000480269065 435372799 /nfs/dbraw/zinc/37/27/99/435372799.db2.gz ULQDPAJVZMINIY-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000480271455 435372851 /nfs/dbraw/zinc/37/28/51/435372851.db2.gz ZMXMFDFQEDXLNP-JTDSTZFVSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000480271455 435372857 /nfs/dbraw/zinc/37/28/57/435372857.db2.gz ZMXMFDFQEDXLNP-JTDSTZFVSA-N 2 2 316.489 3.498 20 0 DGADLP CC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000513398344 435386824 /nfs/dbraw/zinc/38/68/24/435386824.db2.gz RBFBFHPZJGHPEP-RTBURBONSA-N 2 2 316.489 3.224 20 0 DGADLP CC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000513398344 435386827 /nfs/dbraw/zinc/38/68/27/435386827.db2.gz RBFBFHPZJGHPEP-RTBURBONSA-N 2 2 316.489 3.224 20 0 DGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000648718458 435398466 /nfs/dbraw/zinc/39/84/66/435398466.db2.gz KQOGPIUIENCZJB-ZDUSSCGKSA-N 2 2 323.400 3.425 20 0 DGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000648725549 435399303 /nfs/dbraw/zinc/39/93/03/435399303.db2.gz RILOODALCRZLCE-AWEZNQCLSA-N 2 2 323.400 3.221 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000515061389 435460658 /nfs/dbraw/zinc/46/06/58/435460658.db2.gz UPQFEBHYRYKWKS-INIZCTEOSA-N 2 2 301.434 3.049 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000515061389 435460662 /nfs/dbraw/zinc/46/06/62/435460662.db2.gz UPQFEBHYRYKWKS-INIZCTEOSA-N 2 2 301.434 3.049 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)n1C ZINC000568769623 435470210 /nfs/dbraw/zinc/47/02/10/435470210.db2.gz IXKNYVMFTBDEHI-UHFFFAOYSA-N 2 2 301.287 3.176 20 0 DGADLP COc1nc(C)cc(C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983862 435479711 /nfs/dbraw/zinc/47/97/11/435479711.db2.gz MXBFKFLIUDCHEI-UHFFFAOYSA-N 2 2 317.477 3.157 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCc2noc3ccccc32)CC1 ZINC000639984146 435480264 /nfs/dbraw/zinc/48/02/64/435480264.db2.gz QEIUKNKWGSMHHR-UHFFFAOYSA-N 2 2 313.445 3.321 20 0 DGADLP COCC(C)(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644430941 435441141 /nfs/dbraw/zinc/44/11/41/435441141.db2.gz STPLEQQTEUWOCW-QGZVFWFLSA-N 2 2 304.478 3.302 20 0 DGADLP COCC(C)(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644430941 435441145 /nfs/dbraw/zinc/44/11/45/435441145.db2.gz STPLEQQTEUWOCW-QGZVFWFLSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@@H]1CCC[C@@H]1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558016 435506188 /nfs/dbraw/zinc/50/61/88/435506188.db2.gz OPZZHWOKEVWMDK-PVAVHDDUSA-N 2 2 302.466 3.213 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCc3ccccc3Cl)CC2)c1 ZINC000483510909 435522624 /nfs/dbraw/zinc/52/26/24/435522624.db2.gz BCCNGOJLUGADPQ-UHFFFAOYSA-N 2 2 315.848 3.408 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644885242 435534418 /nfs/dbraw/zinc/53/44/18/435534418.db2.gz KXLLNIKBMFUYFW-MBNYPGIVSA-N 2 2 314.473 3.310 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644885242 435534422 /nfs/dbraw/zinc/53/44/22/435534422.db2.gz KXLLNIKBMFUYFW-MBNYPGIVSA-N 2 2 314.473 3.310 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000639987135 435482433 /nfs/dbraw/zinc/48/24/33/435482433.db2.gz XHXOVBSPUUYQOZ-UHFFFAOYSA-N 3 2 318.509 3.312 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000515464109 435485682 /nfs/dbraw/zinc/48/56/82/435485682.db2.gz IYXGUDKLKQAPQR-BEFAXECRSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000515464109 435485689 /nfs/dbraw/zinc/48/56/89/435485689.db2.gz IYXGUDKLKQAPQR-BEFAXECRSA-N 2 2 313.445 3.026 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000483155544 435497599 /nfs/dbraw/zinc/49/75/99/435497599.db2.gz WRYYGUUHSQCNTB-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000483155544 435497604 /nfs/dbraw/zinc/49/76/04/435497604.db2.gz WRYYGUUHSQCNTB-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](CCOc2ccccc2C(C)=O)CC1 ZINC000640037365 435499157 /nfs/dbraw/zinc/49/91/57/435499157.db2.gz YNHUVIWUIFXUHW-UHFFFAOYSA-N 2 2 318.461 3.074 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3)c2)C1 ZINC000484603029 435548617 /nfs/dbraw/zinc/54/86/17/435548617.db2.gz ITOPCBYLDUVFNY-TXPKVOOTSA-N 2 2 301.478 3.278 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3)c2)C1 ZINC000484603029 435548622 /nfs/dbraw/zinc/54/86/22/435548622.db2.gz ITOPCBYLDUVFNY-TXPKVOOTSA-N 2 2 301.478 3.278 20 0 DGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+]CCC2CCOCC2)cc1 ZINC000644999653 435555258 /nfs/dbraw/zinc/55/52/58/435555258.db2.gz JLLHWDBDPPNUAB-LJQANCHMSA-N 2 2 302.462 3.230 20 0 DGADLP O=C(CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Nc1ccccc1 ZINC000516862065 435556310 /nfs/dbraw/zinc/55/63/10/435556310.db2.gz GTNNAPPQMGKYIH-UHFFFAOYSA-N 2 2 322.412 3.114 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccoc1 ZINC000539689621 435562209 /nfs/dbraw/zinc/56/22/09/435562209.db2.gz OKQVSPQDOLTAGC-CQSZACIVSA-N 2 2 314.433 3.378 20 0 DGADLP c1nc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898670 435578913 /nfs/dbraw/zinc/57/89/13/435578913.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898670 435578920 /nfs/dbraw/zinc/57/89/20/435578920.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898670 435578924 /nfs/dbraw/zinc/57/89/24/435578924.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898670 435578929 /nfs/dbraw/zinc/57/89/29/435578929.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898670 435578932 /nfs/dbraw/zinc/57/89/32/435578932.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898670 435578935 /nfs/dbraw/zinc/57/89/35/435578935.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898670 435578937 /nfs/dbraw/zinc/57/89/37/435578937.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898670 435578938 /nfs/dbraw/zinc/57/89/38/435578938.db2.gz BLYQQEYDOVUZTH-DNVCBOLYSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000570030222 435582715 /nfs/dbraw/zinc/58/27/15/435582715.db2.gz VQXPXZMLHNRRPN-OXJNMPFZSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000570030222 435582719 /nfs/dbraw/zinc/58/27/19/435582719.db2.gz VQXPXZMLHNRRPN-OXJNMPFZSA-N 2 2 314.473 3.249 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@H]1[NH3+] ZINC000649416549 435583472 /nfs/dbraw/zinc/58/34/72/435583472.db2.gz DPDUSBAFOQSMOJ-GXTWGEPZSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@H]1[NH3+] ZINC000649416549 435583476 /nfs/dbraw/zinc/58/34/76/435583476.db2.gz DPDUSBAFOQSMOJ-GXTWGEPZSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@@H]1[NH3+] ZINC000649416529 435583739 /nfs/dbraw/zinc/58/37/39/435583739.db2.gz CVVXRQGMDLOUAN-OCCSQVGLSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@@H]1[NH3+] ZINC000649416529 435583743 /nfs/dbraw/zinc/58/37/43/435583743.db2.gz CVVXRQGMDLOUAN-OCCSQVGLSA-N 2 2 305.447 3.271 20 0 DGADLP CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000516586509 435539844 /nfs/dbraw/zinc/53/98/44/435539844.db2.gz GXHIJSHXTHDZQT-QRVBRYPASA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000516586509 435539849 /nfs/dbraw/zinc/53/98/49/435539849.db2.gz GXHIJSHXTHDZQT-QRVBRYPASA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000516586508 435540364 /nfs/dbraw/zinc/54/03/64/435540364.db2.gz GXHIJSHXTHDZQT-GUDVDZBRSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000516586508 435540368 /nfs/dbraw/zinc/54/03/68/435540368.db2.gz GXHIJSHXTHDZQT-GUDVDZBRSA-N 2 2 306.494 3.023 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC000484135088 435540497 /nfs/dbraw/zinc/54/04/97/435540497.db2.gz BOIIJXXOBTTYGF-KDOFPFPSSA-N 2 2 304.478 3.231 20 0 DGADLP Cc1ccc(C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000484139463 435540871 /nfs/dbraw/zinc/54/08/71/435540871.db2.gz FKVZQXFOAOULCP-QUCCMNQESA-N 2 2 318.505 3.120 20 0 DGADLP FC1(F)CCC([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000540157237 435591536 /nfs/dbraw/zinc/59/15/36/435591536.db2.gz YPNMTISIHLWGHK-KRWDZBQOSA-N 2 2 308.416 3.471 20 0 DGADLP FC1(F)CCC([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000540157237 435591540 /nfs/dbraw/zinc/59/15/40/435591540.db2.gz YPNMTISIHLWGHK-KRWDZBQOSA-N 2 2 308.416 3.471 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)c[nH+]1 ZINC000644921777 435542088 /nfs/dbraw/zinc/54/20/88/435542088.db2.gz FPJIGBROLJKANE-QGZVFWFLSA-N 2 2 319.412 3.177 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)c[nH+]1 ZINC000644921777 435542094 /nfs/dbraw/zinc/54/20/94/435542094.db2.gz FPJIGBROLJKANE-QGZVFWFLSA-N 2 2 319.412 3.177 20 0 DGADLP CCc1ccc([C@H]2C[N@H+](CC[C@@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357638 435543482 /nfs/dbraw/zinc/54/34/82/435543482.db2.gz QKVQNABEECRBTF-VQTJNVASSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357638 435543483 /nfs/dbraw/zinc/54/34/83/435543483.db2.gz QKVQNABEECRBTF-VQTJNVASSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@@H]3CCCC[N@@H+]3C)CCO2)cc1 ZINC000484357638 435543487 /nfs/dbraw/zinc/54/34/87/435543487.db2.gz QKVQNABEECRBTF-VQTJNVASSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357638 435543490 /nfs/dbraw/zinc/54/34/90/435543490.db2.gz QKVQNABEECRBTF-VQTJNVASSA-N 2 2 316.489 3.497 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)[nH]1 ZINC000644927662 435543571 /nfs/dbraw/zinc/54/35/71/435543571.db2.gz ZOWASOBCPZZMNK-INIZCTEOSA-N 2 2 319.412 3.246 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)[nH]1 ZINC000644927662 435543574 /nfs/dbraw/zinc/54/35/74/435543574.db2.gz ZOWASOBCPZZMNK-INIZCTEOSA-N 2 2 319.412 3.246 20 0 DGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484476198 435544991 /nfs/dbraw/zinc/54/49/91/435544991.db2.gz UXZVEBWKGCLNNB-BVGQSLNGSA-N 2 2 322.493 3.476 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000484474282 435545228 /nfs/dbraw/zinc/54/52/28/435545228.db2.gz PESMIPWJZCHELB-RYQLBKOJSA-N 2 2 304.478 3.192 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000484474282 435545231 /nfs/dbraw/zinc/54/52/31/435545231.db2.gz PESMIPWJZCHELB-RYQLBKOJSA-N 2 2 304.478 3.192 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484487155 435545987 /nfs/dbraw/zinc/54/59/87/435545987.db2.gz LUYSZSPRSYYHPH-MSOLQXFVSA-N 2 2 324.509 3.420 20 0 DGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570607596 435635142 /nfs/dbraw/zinc/63/51/42/435635142.db2.gz FDGRJFIYFMKRRI-NWDGAFQWSA-N 2 2 305.372 3.156 20 0 DGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570607596 435635145 /nfs/dbraw/zinc/63/51/45/435635145.db2.gz FDGRJFIYFMKRRI-NWDGAFQWSA-N 2 2 305.372 3.156 20 0 DGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214669 435595670 /nfs/dbraw/zinc/59/56/70/435595670.db2.gz WVKFVAKUIYSGOQ-IMFGXOCKSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214669 435595673 /nfs/dbraw/zinc/59/56/73/435595673.db2.gz WVKFVAKUIYSGOQ-IMFGXOCKSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000570279585 435603832 /nfs/dbraw/zinc/60/38/32/435603832.db2.gz IVINNOUAHPYDHR-OLZOCXBDSA-N 2 2 314.389 3.121 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000570279631 435604324 /nfs/dbraw/zinc/60/43/24/435604324.db2.gz JSTSSJJCNPQOPF-PMACEKPBSA-N 2 2 324.472 3.287 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000570279631 435604328 /nfs/dbraw/zinc/60/43/28/435604328.db2.gz JSTSSJJCNPQOPF-PMACEKPBSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000570279584 435604609 /nfs/dbraw/zinc/60/46/09/435604609.db2.gz IVINNOUAHPYDHR-CHWSQXEVSA-N 2 2 314.389 3.121 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000570279587 435605077 /nfs/dbraw/zinc/60/50/77/435605077.db2.gz IVINNOUAHPYDHR-STQMWFEESA-N 2 2 314.389 3.121 20 0 DGADLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@H]2C1 ZINC000486642538 435607441 /nfs/dbraw/zinc/60/74/41/435607441.db2.gz FJGDKTBZUFHAHM-PXAZEXFGSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@H]2C1 ZINC000486642538 435607446 /nfs/dbraw/zinc/60/74/46/435607446.db2.gz FJGDKTBZUFHAHM-PXAZEXFGSA-N 2 2 301.821 3.419 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000645416099 435640109 /nfs/dbraw/zinc/64/01/09/435640109.db2.gz FAFFYLZSQLWYMG-OAHLLOKOSA-N 2 2 302.462 3.325 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000649631933 435648606 /nfs/dbraw/zinc/64/86/06/435648606.db2.gz SHKMAVQGMPIULD-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP Brc1ccccc1C1([NH2+]CCn2cc[nH+]c2)CCC1 ZINC000649646429 435655052 /nfs/dbraw/zinc/65/50/52/435655052.db2.gz CTKCBBBEHPSREV-UHFFFAOYSA-N 2 2 320.234 3.315 20 0 DGADLP CCn1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cn1 ZINC000570898487 435659923 /nfs/dbraw/zinc/65/99/23/435659923.db2.gz KINFUVWTGJNQKG-UHFFFAOYSA-N 2 2 309.417 3.029 20 0 DGADLP CCn1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cn1 ZINC000570898487 435659927 /nfs/dbraw/zinc/65/99/27/435659927.db2.gz KINFUVWTGJNQKG-UHFFFAOYSA-N 2 2 309.417 3.029 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000570965627 435666964 /nfs/dbraw/zinc/66/69/64/435666964.db2.gz LADZHGPRRKHMPD-QZTJIDSGSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000570965627 435666970 /nfs/dbraw/zinc/66/69/70/435666970.db2.gz LADZHGPRRKHMPD-QZTJIDSGSA-N 2 2 316.493 3.033 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000570985240 435668468 /nfs/dbraw/zinc/66/84/68/435668468.db2.gz GOMHKZWADKBQPL-KXBFYZLASA-N 2 2 310.445 3.273 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC2CC[NH+](C3CC3)CC2)c(C)[nH+]1 ZINC000519586221 435691959 /nfs/dbraw/zinc/69/19/59/435691959.db2.gz YOYDBQHZLWEMMT-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000519610993 435694482 /nfs/dbraw/zinc/69/44/82/435694482.db2.gz OUEZJXKUFSGZQY-LBPRGKRZSA-N 2 2 319.276 3.131 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811394 435697450 /nfs/dbraw/zinc/69/74/50/435697450.db2.gz QLKPVHOEZZTSBD-OAHLLOKOSA-N 2 2 308.416 3.171 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811394 435697458 /nfs/dbraw/zinc/69/74/58/435697458.db2.gz QLKPVHOEZZTSBD-OAHLLOKOSA-N 2 2 308.416 3.171 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC000645811394 435697463 /nfs/dbraw/zinc/69/74/63/435697463.db2.gz QLKPVHOEZZTSBD-OAHLLOKOSA-N 2 2 308.416 3.171 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000645811394 435697467 /nfs/dbraw/zinc/69/74/67/435697467.db2.gz QLKPVHOEZZTSBD-OAHLLOKOSA-N 2 2 308.416 3.171 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000645829827 435703385 /nfs/dbraw/zinc/70/33/85/435703385.db2.gz YOAQVUCGMOMEJP-LJQANCHMSA-N 2 2 306.413 3.160 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655698099 435734158 /nfs/dbraw/zinc/73/41/58/435734158.db2.gz WHQPYRSXMDMHBU-SJLPKXTDSA-N 2 2 302.462 3.207 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000520406623 435741797 /nfs/dbraw/zinc/74/17/97/435741797.db2.gz NOGUQBROFFOXEI-CVYDXHPNSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000520406623 435741802 /nfs/dbraw/zinc/74/18/02/435741802.db2.gz NOGUQBROFFOXEI-CVYDXHPNSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641437991 435742716 /nfs/dbraw/zinc/74/27/16/435742716.db2.gz BGLOXUFIYZXDKX-MRXNPFEDSA-N 2 2 317.477 3.055 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641437991 435742724 /nfs/dbraw/zinc/74/27/24/435742724.db2.gz BGLOXUFIYZXDKX-MRXNPFEDSA-N 2 2 317.477 3.055 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)c1F ZINC000655720022 435745807 /nfs/dbraw/zinc/74/58/07/435745807.db2.gz NRMNYGYYCPZDJF-CRAIPNDOSA-N 2 2 320.452 3.346 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H](C)c1ccccc1 ZINC000655717872 435746479 /nfs/dbraw/zinc/74/64/79/435746479.db2.gz FHHBZPCTGPIWBO-JTDSTZFVSA-N 2 2 302.462 3.022 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499426 435748201 /nfs/dbraw/zinc/74/82/01/435748201.db2.gz NQXKHLRRQBDDKQ-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499426 435748209 /nfs/dbraw/zinc/74/82/09/435748209.db2.gz NQXKHLRRQBDDKQ-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)c1nc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000655730465 435755157 /nfs/dbraw/zinc/75/51/57/435755157.db2.gz SYHPEDHZPIGSEM-HIFRSBDPSA-N 2 2 323.506 3.170 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792523 435709275 /nfs/dbraw/zinc/70/92/75/435709275.db2.gz RWGQJXUJXWNDLX-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792523 435709276 /nfs/dbraw/zinc/70/92/76/435709276.db2.gz RWGQJXUJXWNDLX-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)s1 ZINC000519792523 435709277 /nfs/dbraw/zinc/70/92/77/435709277.db2.gz RWGQJXUJXWNDLX-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)s1 ZINC000519792523 435709278 /nfs/dbraw/zinc/70/92/78/435709278.db2.gz RWGQJXUJXWNDLX-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP Cc1cccc2c1cc[nH+]c2NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000572151104 435789837 /nfs/dbraw/zinc/78/98/37/435789837.db2.gz GGIHZOJPRQHMMZ-MRXNPFEDSA-N 2 2 313.445 3.048 20 0 DGADLP CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000641785638 435821324 /nfs/dbraw/zinc/82/13/24/435821324.db2.gz DFHROSXBBRDFRR-ZWKOTPCHSA-N 2 2 307.397 3.379 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCCC2)O1 ZINC000646134192 435792914 /nfs/dbraw/zinc/79/29/14/435792914.db2.gz RVEZNVYATGHMSQ-MRXNPFEDSA-N 2 2 311.429 3.406 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCCC2)O1 ZINC000646134192 435792919 /nfs/dbraw/zinc/79/29/19/435792919.db2.gz RVEZNVYATGHMSQ-MRXNPFEDSA-N 2 2 311.429 3.406 20 0 DGADLP C1CC([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCC2)C1 ZINC000655779959 435794651 /nfs/dbraw/zinc/79/46/51/435794651.db2.gz VBMULNGCFNPSFJ-RBUKOAKNSA-N 2 2 306.494 3.188 20 0 DGADLP Cc1ccccc1C1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655792899 435800830 /nfs/dbraw/zinc/80/08/30/435800830.db2.gz SLXRXUYULIEWFV-GOSISDBHSA-N 2 2 314.473 3.217 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000550664899 435806643 /nfs/dbraw/zinc/80/66/43/435806643.db2.gz AXANGJAERFPVHT-JKSUJKDBSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000550664899 435806649 /nfs/dbraw/zinc/80/66/49/435806649.db2.gz AXANGJAERFPVHT-JKSUJKDBSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000550664897 435808442 /nfs/dbraw/zinc/80/84/42/435808442.db2.gz AXANGJAERFPVHT-HZPDHXFCSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000550664897 435808446 /nfs/dbraw/zinc/80/84/46/435808446.db2.gz AXANGJAERFPVHT-HZPDHXFCSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655743461 435765349 /nfs/dbraw/zinc/76/53/49/435765349.db2.gz ITICJQWDDGKIQZ-QAPCUYQASA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655743461 435765360 /nfs/dbraw/zinc/76/53/60/435765360.db2.gz ITICJQWDDGKIQZ-QAPCUYQASA-N 2 2 312.461 3.061 20 0 DGADLP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474619 435766647 /nfs/dbraw/zinc/76/66/47/435766647.db2.gz KLBMFSMYXHOFJI-MRXNPFEDSA-N 2 2 322.880 3.335 20 0 DGADLP C(=C\c1ccccc1)\CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474622 435767858 /nfs/dbraw/zinc/76/78/58/435767858.db2.gz KMSJSZMSYSRNKP-BUSNORKWSA-N 2 2 314.473 3.277 20 0 DGADLP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474622 435767863 /nfs/dbraw/zinc/76/78/63/435767863.db2.gz KMSJSZMSYSRNKP-BUSNORKWSA-N 2 2 314.473 3.277 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)co1 ZINC000660486602 435768666 /nfs/dbraw/zinc/76/86/66/435768666.db2.gz KMZBOLGEZQPXFK-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)co1 ZINC000660486602 435768669 /nfs/dbraw/zinc/76/86/69/435768669.db2.gz KMZBOLGEZQPXFK-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OCC1CC1)C[NH+](C)C ZINC000491599617 435777585 /nfs/dbraw/zinc/77/75/85/435777585.db2.gz SUNDJVBTAZDIFE-CYBMUJFWSA-N 2 2 310.869 3.416 20 0 DGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000655753773 435777638 /nfs/dbraw/zinc/77/76/38/435777638.db2.gz DJRWICXDMKBONO-UHFFFAOYSA-N 2 2 318.852 3.020 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644467 435779095 /nfs/dbraw/zinc/77/90/95/435779095.db2.gz SDZYKRYHTIMTCR-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644467 435779097 /nfs/dbraw/zinc/77/90/97/435779097.db2.gz SDZYKRYHTIMTCR-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644467 435779102 /nfs/dbraw/zinc/77/91/02/435779102.db2.gz SDZYKRYHTIMTCR-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644467 435779107 /nfs/dbraw/zinc/77/91/07/435779107.db2.gz SDZYKRYHTIMTCR-BBRMVZONSA-N 2 2 324.440 3.005 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCCC2(C)C)C1 ZINC000549859986 435781078 /nfs/dbraw/zinc/78/10/78/435781078.db2.gz SEUUPQMXGBXYMS-POAQFYNOSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCCC2(C)C)C1 ZINC000549859986 435781084 /nfs/dbraw/zinc/78/10/84/435781084.db2.gz SEUUPQMXGBXYMS-POAQFYNOSA-N 2 2 316.489 3.353 20 0 DGADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000651814579 435836245 /nfs/dbraw/zinc/83/62/45/435836245.db2.gz ZSOWBNXKYAKQJQ-MFKMUULPSA-N 2 2 305.784 3.337 20 0 DGADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000651814579 435836250 /nfs/dbraw/zinc/83/62/50/435836250.db2.gz ZSOWBNXKYAKQJQ-MFKMUULPSA-N 2 2 305.784 3.337 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCCCO1 ZINC000655846317 435837158 /nfs/dbraw/zinc/83/71/58/435837158.db2.gz FQUIKLHXEWCWPU-CABCVRRESA-N 2 2 322.415 3.341 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848990 435838694 /nfs/dbraw/zinc/83/86/94/435838694.db2.gz NPDHNSJJKRVWOY-LXGCGDOSSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848990 435838702 /nfs/dbraw/zinc/83/87/02/435838702.db2.gz NPDHNSJJKRVWOY-LXGCGDOSSA-N 2 2 309.457 3.242 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572542762 435839383 /nfs/dbraw/zinc/83/93/83/435839383.db2.gz MDWLRCHQPCUYAL-GBESFXJTSA-N 2 2 306.494 3.166 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572542762 435839386 /nfs/dbraw/zinc/83/93/86/435839386.db2.gz MDWLRCHQPCUYAL-GBESFXJTSA-N 2 2 306.494 3.166 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655849312 435839684 /nfs/dbraw/zinc/83/96/84/435839684.db2.gz NQHAIRZVHFLOAK-UAGQMJEPSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655849312 435839688 /nfs/dbraw/zinc/83/96/88/435839688.db2.gz NQHAIRZVHFLOAK-UAGQMJEPSA-N 2 2 318.461 3.371 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848807 435840102 /nfs/dbraw/zinc/84/01/02/435840102.db2.gz LFMNPGSICBISHT-VUHPKUFZSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848807 435840109 /nfs/dbraw/zinc/84/01/09/435840109.db2.gz LFMNPGSICBISHT-VUHPKUFZSA-N 2 2 316.493 3.053 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848743 435840164 /nfs/dbraw/zinc/84/01/64/435840164.db2.gz JVLSUXCLMSEVQK-ZOCIIQOWSA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848743 435840176 /nfs/dbraw/zinc/84/01/76/435840176.db2.gz JVLSUXCLMSEVQK-ZOCIIQOWSA-N 2 2 315.461 3.313 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000572579963 435841276 /nfs/dbraw/zinc/84/12/76/435841276.db2.gz OCBHXRMHTSQSLL-ZCYBBYNQSA-N 2 2 318.505 3.188 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000572579963 435841280 /nfs/dbraw/zinc/84/12/80/435841280.db2.gz OCBHXRMHTSQSLL-ZCYBBYNQSA-N 2 2 318.505 3.188 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657121 435844028 /nfs/dbraw/zinc/84/40/28/435844028.db2.gz VUJRCNWMWRNHAM-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657121 435844034 /nfs/dbraw/zinc/84/40/34/435844034.db2.gz VUJRCNWMWRNHAM-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657121 435844038 /nfs/dbraw/zinc/84/40/38/435844038.db2.gz VUJRCNWMWRNHAM-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(-c3ccccc3)on1)C2 ZINC000660657121 435844043 /nfs/dbraw/zinc/84/40/43/435844043.db2.gz VUJRCNWMWRNHAM-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856586 435846429 /nfs/dbraw/zinc/84/64/29/435846429.db2.gz PAAFPMUMAHXPCP-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856586 435846435 /nfs/dbraw/zinc/84/64/35/435846435.db2.gz PAAFPMUMAHXPCP-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857730 435848096 /nfs/dbraw/zinc/84/80/96/435848096.db2.gz VBCONFBVQHXRGF-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857730 435848104 /nfs/dbraw/zinc/84/81/04/435848104.db2.gz VBCONFBVQHXRGF-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662720 435849595 /nfs/dbraw/zinc/84/95/95/435849595.db2.gz LUTUEKDFVFWEMI-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662720 435849599 /nfs/dbraw/zinc/84/95/99/435849599.db2.gz LUTUEKDFVFWEMI-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662720 435849604 /nfs/dbraw/zinc/84/96/04/435849604.db2.gz LUTUEKDFVFWEMI-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662720 435849609 /nfs/dbraw/zinc/84/96/09/435849609.db2.gz LUTUEKDFVFWEMI-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP Cc1ccccc1C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000551789866 435853349 /nfs/dbraw/zinc/85/33/49/435853349.db2.gz UAFCLXMYNLZIQS-OALUTQOASA-N 2 2 318.530 3.343 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000551816723 435855830 /nfs/dbraw/zinc/85/58/30/435855830.db2.gz QCAPTYUAEYFOQR-QGZVFWFLSA-N 2 2 321.424 3.442 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000551816723 435855836 /nfs/dbraw/zinc/85/58/36/435855836.db2.gz QCAPTYUAEYFOQR-QGZVFWFLSA-N 2 2 321.424 3.442 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910339 435861571 /nfs/dbraw/zinc/86/15/71/435861571.db2.gz PUYNKTWUTCAAOT-PKOBYXMFSA-N 3 2 307.526 3.248 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910339 435861579 /nfs/dbraw/zinc/86/15/79/435861579.db2.gz PUYNKTWUTCAAOT-PKOBYXMFSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910339 435861583 /nfs/dbraw/zinc/86/15/83/435861583.db2.gz PUYNKTWUTCAAOT-PKOBYXMFSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910339 435861588 /nfs/dbraw/zinc/86/15/88/435861588.db2.gz PUYNKTWUTCAAOT-PKOBYXMFSA-N 3 2 307.526 3.248 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000660694091 435861700 /nfs/dbraw/zinc/86/17/00/435861700.db2.gz SPFZSRMAXSNVHM-OAHLLOKOSA-N 2 2 324.896 3.474 20 0 DGADLP FC1(F)CCC[C@@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000572746080 435863233 /nfs/dbraw/zinc/86/32/33/435863233.db2.gz VYDJICHTWAAMTK-SJORKVTESA-N 2 2 308.416 3.471 20 0 DGADLP FC1(F)CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000572746080 435863238 /nfs/dbraw/zinc/86/32/38/435863238.db2.gz VYDJICHTWAAMTK-SJORKVTESA-N 2 2 308.416 3.471 20 0 DGADLP Fc1cc2c(cc1F)C[NH+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000655945652 435863977 /nfs/dbraw/zinc/86/39/77/435863977.db2.gz CYWXJTCKOYLKKN-UHFFFAOYSA-N 2 2 300.352 3.126 20 0 DGADLP CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651912188 435864838 /nfs/dbraw/zinc/86/48/38/435864838.db2.gz OPTLZYQNGNRNRV-ZDUSSCGKSA-N 2 2 305.447 3.323 20 0 DGADLP CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651912188 435864846 /nfs/dbraw/zinc/86/48/46/435864846.db2.gz OPTLZYQNGNRNRV-ZDUSSCGKSA-N 2 2 305.447 3.323 20 0 DGADLP Cc1c[nH+]c2cc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)no3)ccn12 ZINC000655986984 435869640 /nfs/dbraw/zinc/86/96/40/435869640.db2.gz IECRLOVDLVSKSN-GOOCMWNKSA-N 2 2 323.400 3.033 20 0 DGADLP Cc1c[nH+]c2cc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)ccn12 ZINC000655986984 435869646 /nfs/dbraw/zinc/86/96/46/435869646.db2.gz IECRLOVDLVSKSN-GOOCMWNKSA-N 2 2 323.400 3.033 20 0 DGADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273209 435827594 /nfs/dbraw/zinc/82/75/94/435827594.db2.gz VCRWJFYWOHZQFX-LSTHTHJFSA-N 2 2 318.505 3.210 20 0 DGADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273209 435827600 /nfs/dbraw/zinc/82/76/00/435827600.db2.gz VCRWJFYWOHZQFX-LSTHTHJFSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@@H](COCC1CC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651983264 435883521 /nfs/dbraw/zinc/88/35/21/435883521.db2.gz VESARQBDUSMVCL-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](COCC1CC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651983264 435883527 /nfs/dbraw/zinc/88/35/27/435883527.db2.gz VESARQBDUSMVCL-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP COc1ccccc1[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665278345 435935631 /nfs/dbraw/zinc/93/56/31/435935631.db2.gz BPWCDGBOYJSEJR-PJOPYLDSSA-N 2 2 300.446 3.268 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000651983434 435885687 /nfs/dbraw/zinc/88/56/87/435885687.db2.gz YWUWPCGQXAWHLE-MDZRGWNJSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000651983434 435885692 /nfs/dbraw/zinc/88/56/92/435885692.db2.gz YWUWPCGQXAWHLE-MDZRGWNJSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000656126147 435896763 /nfs/dbraw/zinc/89/67/63/435896763.db2.gz JYKJZXUHSDYXRN-WBVHZDCISA-N 2 2 302.466 3.184 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000656126147 435896766 /nfs/dbraw/zinc/89/67/66/435896766.db2.gz JYKJZXUHSDYXRN-WBVHZDCISA-N 2 2 302.466 3.184 20 0 DGADLP Cc1nccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660857357 435908365 /nfs/dbraw/zinc/90/83/65/435908365.db2.gz MDMLBXUMTVKJQI-UHFFFAOYSA-N 2 2 321.428 3.116 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](C[C@@H]4CCCOC4)CC3)[nH]c2c1 ZINC000660855604 435908967 /nfs/dbraw/zinc/90/89/67/435908967.db2.gz RJRBMECIXFVIRT-INIZCTEOSA-N 2 2 313.445 3.244 20 0 DGADLP c1ccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000660854102 435909435 /nfs/dbraw/zinc/90/94/35/435909435.db2.gz NQEOIDOGGHGAOG-UHFFFAOYSA-N 2 2 306.413 3.413 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656195758 435909534 /nfs/dbraw/zinc/90/95/34/435909534.db2.gz GIFGEOLZYCGELJ-SUMDDJOVSA-N 3 2 301.478 3.072 20 0 DGADLP Cc1cnc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000660856661 435909601 /nfs/dbraw/zinc/90/96/01/435909601.db2.gz SNAFTNXQVPACBS-UHFFFAOYSA-N 2 2 321.428 3.116 20 0 DGADLP CC[C@@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)OC ZINC000660857252 435910017 /nfs/dbraw/zinc/91/00/17/435910017.db2.gz JDRHGUUKVSKXDI-HNNXBMFYSA-N 2 2 301.434 3.242 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000656249715 435923875 /nfs/dbraw/zinc/92/38/75/435923875.db2.gz AWGQYFCAPDHSCC-UHFFFAOYSA-N 2 2 312.461 3.015 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665238029 435924961 /nfs/dbraw/zinc/92/49/61/435924961.db2.gz OQONSRVREYDLKG-PBHICJAKSA-N 2 2 316.470 3.272 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665237678 435925502 /nfs/dbraw/zinc/92/55/02/435925502.db2.gz HGOCGPUONBQBFH-LLVKDONJSA-N 2 2 323.362 3.430 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000665240919 435926119 /nfs/dbraw/zinc/92/61/19/435926119.db2.gz VXEMTDVVSCXSEN-QRVBRYPASA-N 2 2 312.413 3.117 20 0 DGADLP COc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000665249907 435927761 /nfs/dbraw/zinc/92/77/61/435927761.db2.gz AYAZMFKJCLVNSZ-CDHQVMDDSA-N 2 2 310.441 3.492 20 0 DGADLP c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]cc1C1CCC1 ZINC000656262329 435928226 /nfs/dbraw/zinc/92/82/26/435928226.db2.gz KRCGPGRWLBNFKT-KRWDZBQOSA-N 2 2 301.434 3.014 20 0 DGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665249967 435928368 /nfs/dbraw/zinc/92/83/68/435928368.db2.gz CVDRSKIYZNTQIQ-ATZDWAIDSA-N 2 2 310.441 3.492 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC2(C)C)cc1 ZINC000665255211 435930265 /nfs/dbraw/zinc/93/02/65/435930265.db2.gz LPPJIHVSIHLVHA-BZSNNMDCSA-N 2 2 302.462 3.309 20 0 DGADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252937 435930653 /nfs/dbraw/zinc/93/06/53/435930653.db2.gz ASRCNTZLUHOWHP-WBHUJUFNSA-N 2 2 320.383 3.224 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccoc2)cc1 ZINC000665257011 435931797 /nfs/dbraw/zinc/93/17/97/435931797.db2.gz WCICJKMQVPWELQ-BVGQSLNGSA-N 2 2 300.402 3.085 20 0 DGADLP CC[C@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259340 435932032 /nfs/dbraw/zinc/93/20/32/435932032.db2.gz CIHLSKGEFKRFIO-LBRJOISOSA-N 2 2 306.425 3.058 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccoc2)cc1F ZINC000665259712 435932578 /nfs/dbraw/zinc/93/25/78/435932578.db2.gz NKMWUACMXFQNEU-NUTKFTJISA-N 2 2 318.392 3.224 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665267475 435934973 /nfs/dbraw/zinc/93/49/73/435934973.db2.gz XIKHHTKWMCPDEJ-HRCADAONSA-N 2 2 310.388 3.123 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nc2c1CCC2 ZINC000656493715 435960710 /nfs/dbraw/zinc/96/07/10/435960710.db2.gz AERDNAOSWYBJNH-UHFFFAOYSA-N 2 2 313.489 3.315 20 0 DGADLP c1ccc(Nc2cc(N3CCC([C@H]4CC[NH2+]C4)CC3)nc[nH+]2)cc1 ZINC000656607008 435982905 /nfs/dbraw/zinc/98/29/05/435982905.db2.gz BNNKGIORWAHBSR-INIZCTEOSA-N 2 2 323.444 3.046 20 0 DGADLP c1ccc(Nc2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)nc[nH+]2)cc1 ZINC000656607009 435983652 /nfs/dbraw/zinc/98/36/52/435983652.db2.gz BNNKGIORWAHBSR-MRXNPFEDSA-N 2 2 323.444 3.046 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCc4ccccc4C3)cn21 ZINC000647262523 435995088 /nfs/dbraw/zinc/99/50/88/435995088.db2.gz BOCVOSVMLDLDMP-GOSISDBHSA-N 2 2 305.425 3.332 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CO1 ZINC000647252927 435991903 /nfs/dbraw/zinc/99/19/03/435991903.db2.gz BXENFGKEXOXEMJ-CZUORRHYSA-N 2 2 308.853 3.071 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccccc3N(C)C)cn21 ZINC000647262818 435995295 /nfs/dbraw/zinc/99/52/95/435995295.db2.gz RNLGKEPZNZJHKY-UHFFFAOYSA-N 2 2 308.429 3.041 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)c2ccccc21 ZINC000665283401 435940108 /nfs/dbraw/zinc/94/01/08/435940108.db2.gz NCPATXGIWWMZRP-ZIAGYGMSSA-N 2 2 318.323 3.243 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000647169589 435957307 /nfs/dbraw/zinc/95/73/07/435957307.db2.gz SQEYUZDNQKNCMN-UHFFFAOYSA-N 2 2 306.498 3.283 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000647169589 435957311 /nfs/dbraw/zinc/95/73/11/435957311.db2.gz SQEYUZDNQKNCMN-UHFFFAOYSA-N 2 2 306.498 3.283 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000647281400 435997599 /nfs/dbraw/zinc/99/75/99/435997599.db2.gz MHCXFMWCAAOINU-ZIFCJYIRSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000647281400 435997603 /nfs/dbraw/zinc/99/76/03/435997603.db2.gz MHCXFMWCAAOINU-ZIFCJYIRSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1cc2n(n1)CCCC2)C(C)C ZINC000647290764 436002563 /nfs/dbraw/zinc/00/25/63/436002563.db2.gz TXDXXPWUSGXNCC-MRXNPFEDSA-N 2 2 306.498 3.379 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000650740032 436012307 /nfs/dbraw/zinc/01/23/07/436012307.db2.gz FHKHGCDZYVQAQW-KBPBESRZSA-N 2 2 308.853 3.076 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000650741975 436013955 /nfs/dbraw/zinc/01/39/55/436013955.db2.gz OYVNUUGPMXMJLE-OAHLLOKOSA-N 3 2 304.482 3.189 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000650741975 436013959 /nfs/dbraw/zinc/01/39/59/436013959.db2.gz OYVNUUGPMXMJLE-OAHLLOKOSA-N 3 2 304.482 3.189 20 0 DGADLP Cc1[nH+]cc(CNc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)n1C ZINC000656770969 436036075 /nfs/dbraw/zinc/03/60/75/436036075.db2.gz ZZIWNTJHHOVOMV-AWEZNQCLSA-N 2 2 313.449 3.423 20 0 DGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783648 436041853 /nfs/dbraw/zinc/04/18/53/436041853.db2.gz SEVBYRJFWJYFOE-UHFFFAOYSA-N 2 2 314.477 3.026 20 0 DGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783648 436041856 /nfs/dbraw/zinc/04/18/56/436041856.db2.gz SEVBYRJFWJYFOE-UHFFFAOYSA-N 2 2 314.477 3.026 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000656788807 436047069 /nfs/dbraw/zinc/04/70/69/436047069.db2.gz GZFOEHRZZYNZGH-TZIWHRDSSA-N 2 2 317.436 3.470 20 0 DGADLP COc1ccc(C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788737 436047257 /nfs/dbraw/zinc/04/72/57/436047257.db2.gz FIPBPSQVPLXKJY-RTBURBONSA-N 2 2 310.441 3.239 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1 ZINC000656790525 436047299 /nfs/dbraw/zinc/04/72/99/436047299.db2.gz XQOYYXXFFACEKX-IAGOWNOFSA-N 2 2 304.434 3.431 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661372447 436047275 /nfs/dbraw/zinc/04/72/75/436047275.db2.gz CGUKPKKFNQFVRK-UHFFFAOYSA-N 2 2 310.228 3.328 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661372447 436047277 /nfs/dbraw/zinc/04/72/77/436047277.db2.gz CGUKPKKFNQFVRK-UHFFFAOYSA-N 2 2 310.228 3.328 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000650711340 435997159 /nfs/dbraw/zinc/99/71/59/435997159.db2.gz QFPDQLZAYLAFRZ-BXUZGUMPSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000650711340 435997167 /nfs/dbraw/zinc/99/71/67/435997167.db2.gz QFPDQLZAYLAFRZ-BXUZGUMPSA-N 2 2 301.356 3.050 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479601 436058841 /nfs/dbraw/zinc/05/88/41/436058841.db2.gz MNNPACDBHVJSKR-OCCSQVGLSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479601 436058845 /nfs/dbraw/zinc/05/88/45/436058845.db2.gz MNNPACDBHVJSKR-OCCSQVGLSA-N 2 2 313.367 3.064 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479881 436059162 /nfs/dbraw/zinc/05/91/62/436059162.db2.gz XKVOGLOOZWNRFB-NVXWUHKLSA-N 2 2 306.425 3.188 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479881 436059168 /nfs/dbraw/zinc/05/91/68/436059168.db2.gz XKVOGLOOZWNRFB-NVXWUHKLSA-N 2 2 306.425 3.188 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479930 436059293 /nfs/dbraw/zinc/05/92/93/436059293.db2.gz YFUUQLQZBOCZRI-NNXVFDDWSA-N 2 2 306.400 3.442 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479930 436059300 /nfs/dbraw/zinc/05/93/00/436059300.db2.gz YFUUQLQZBOCZRI-NNXVFDDWSA-N 2 2 306.400 3.442 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479880 436059821 /nfs/dbraw/zinc/05/98/21/436059821.db2.gz XKVOGLOOZWNRFB-DOTOQJQBSA-N 2 2 306.425 3.188 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479880 436059823 /nfs/dbraw/zinc/05/98/23/436059823.db2.gz XKVOGLOOZWNRFB-DOTOQJQBSA-N 2 2 306.425 3.188 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1[NH3+] ZINC000647498129 436066444 /nfs/dbraw/zinc/06/64/44/436066444.db2.gz AYAOJRWHSONFHL-WCQYABFASA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1[NH3+] ZINC000647498129 436066446 /nfs/dbraw/zinc/06/64/46/436066446.db2.gz AYAOJRWHSONFHL-WCQYABFASA-N 2 2 307.488 3.431 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC(F)F ZINC000647536955 436075142 /nfs/dbraw/zinc/07/51/42/436075142.db2.gz NWYHETAKJRTXPB-MRXNPFEDSA-N 2 2 314.351 3.003 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC(F)F ZINC000647536955 436075149 /nfs/dbraw/zinc/07/51/49/436075149.db2.gz NWYHETAKJRTXPB-MRXNPFEDSA-N 2 2 314.351 3.003 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490442 436083199 /nfs/dbraw/zinc/08/31/99/436083199.db2.gz HHJTUGKFDUEPMW-KDURUIRLSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490442 436083203 /nfs/dbraw/zinc/08/32/03/436083203.db2.gz HHJTUGKFDUEPMW-KDURUIRLSA-N 2 2 311.429 3.039 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OC(F)F ZINC000647554313 436085702 /nfs/dbraw/zinc/08/57/02/436085702.db2.gz WPHMEBYIRYEGKA-CQSZACIVSA-N 2 2 314.351 3.191 20 0 DGADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000653181010 436127511 /nfs/dbraw/zinc/12/75/11/436127511.db2.gz RYIIYCRJDUPYSH-HNNXBMFYSA-N 2 2 304.438 3.003 20 0 DGADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(C(F)(F)F)c1 ZINC000657309283 436129556 /nfs/dbraw/zinc/12/95/56/436129556.db2.gz BFNVBXNOIGCGFY-UHFFFAOYSA-N 2 2 313.298 3.277 20 0 DGADLP C[NH2+][C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647830626 436129770 /nfs/dbraw/zinc/12/97/70/436129770.db2.gz XOUIGIRYLDITCU-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP C[NH2+][C@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647830626 436129775 /nfs/dbraw/zinc/12/97/75/436129775.db2.gz XOUIGIRYLDITCU-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000657314673 436131745 /nfs/dbraw/zinc/13/17/45/436131745.db2.gz ZKLHERZPENOOIM-KGLIPLIRSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000657314673 436131749 /nfs/dbraw/zinc/13/17/49/436131749.db2.gz ZKLHERZPENOOIM-KGLIPLIRSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000657314672 436132555 /nfs/dbraw/zinc/13/25/55/436132555.db2.gz ZKLHERZPENOOIM-KBPBESRZSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000657314672 436132560 /nfs/dbraw/zinc/13/25/60/436132560.db2.gz ZKLHERZPENOOIM-KBPBESRZSA-N 2 2 314.351 3.144 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904105 436144748 /nfs/dbraw/zinc/14/47/48/436144748.db2.gz WUWYYEGTMCZLJG-BBRMVZONSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904105 436144753 /nfs/dbraw/zinc/14/47/53/436144753.db2.gz WUWYYEGTMCZLJG-BBRMVZONSA-N 2 2 308.853 3.313 20 0 DGADLP c1[nH+]c2n(c1CN[C@H](C[NH+]1CCCCC1)c1ccccc1)CCC2 ZINC000657345243 436148338 /nfs/dbraw/zinc/14/83/38/436148338.db2.gz LHXUZNBXZUMOEE-LJQANCHMSA-N 2 2 324.472 3.146 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000647924604 436149977 /nfs/dbraw/zinc/14/99/77/436149977.db2.gz SWACPYJTNJHRAU-UHFFFAOYSA-N 2 2 305.372 3.087 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000657347828 436152169 /nfs/dbraw/zinc/15/21/69/436152169.db2.gz GPTRAVDRJBSPBS-IRWJRLHMSA-N 2 2 324.428 3.182 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931129 436152495 /nfs/dbraw/zinc/15/24/95/436152495.db2.gz INDGJAPMTWICJO-AZUAARDMSA-N 2 2 314.473 3.251 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931129 436152500 /nfs/dbraw/zinc/15/25/00/436152500.db2.gz INDGJAPMTWICJO-AZUAARDMSA-N 2 2 314.473 3.251 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647934696 436153114 /nfs/dbraw/zinc/15/31/14/436153114.db2.gz NALLCJRSAHYOQZ-ZJUUUORDSA-N 2 2 307.385 3.030 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647934696 436153118 /nfs/dbraw/zinc/15/31/18/436153118.db2.gz NALLCJRSAHYOQZ-ZJUUUORDSA-N 2 2 307.385 3.030 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931132 436153297 /nfs/dbraw/zinc/15/32/97/436153297.db2.gz INDGJAPMTWICJO-UYAOXDASSA-N 2 2 314.473 3.251 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931132 436153301 /nfs/dbraw/zinc/15/33/01/436153301.db2.gz INDGJAPMTWICJO-UYAOXDASSA-N 2 2 314.473 3.251 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000651130760 436117122 /nfs/dbraw/zinc/11/71/22/436117122.db2.gz KIAZYUZUTOSUHF-LSTHTHJFSA-N 2 2 312.457 3.044 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000657293102 436119552 /nfs/dbraw/zinc/11/95/52/436119552.db2.gz XJJXEEABCBUSIO-UHFFFAOYSA-N 2 2 301.459 3.304 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(OC(F)F)cc1 ZINC000657298206 436123342 /nfs/dbraw/zinc/12/33/42/436123342.db2.gz MCAOFDPHLZFAFK-LLVKDONJSA-N 2 2 307.344 3.282 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960171 436159434 /nfs/dbraw/zinc/15/94/34/436159434.db2.gz JTNYJDUJQJIDCK-DLBZAZTESA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960171 436159437 /nfs/dbraw/zinc/15/94/37/436159437.db2.gz JTNYJDUJQJIDCK-DLBZAZTESA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960171 436159440 /nfs/dbraw/zinc/15/94/40/436159440.db2.gz JTNYJDUJQJIDCK-DLBZAZTESA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960171 436159441 /nfs/dbraw/zinc/15/94/41/436159441.db2.gz JTNYJDUJQJIDCK-DLBZAZTESA-N 2 2 324.896 3.048 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCCCC2 ZINC000657380134 436168351 /nfs/dbraw/zinc/16/83/51/436168351.db2.gz HKQJBFVYZATSFU-JKSUJKDBSA-N 2 2 303.450 3.047 20 0 DGADLP COc1ccccc1C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657387595 436173302 /nfs/dbraw/zinc/17/33/02/436173302.db2.gz RGBCCRZPSILBOA-QGZVFWFLSA-N 2 2 313.445 3.195 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000648003140 436174825 /nfs/dbraw/zinc/17/48/25/436174825.db2.gz KNXVKLGKASNBGT-QGZVFWFLSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000648003140 436174828 /nfs/dbraw/zinc/17/48/28/436174828.db2.gz KNXVKLGKASNBGT-QGZVFWFLSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nc(C2CC2)[nH+]1 ZINC000265330268 301338588 /nfs/dbraw/zinc/33/85/88/301338588.db2.gz GHJCHQXLOFDLMI-QGZVFWFLSA-N 2 2 308.429 3.156 20 0 DGADLP Cc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)nc(C2CC2)[nH+]1 ZINC000265330268 301338590 /nfs/dbraw/zinc/33/85/90/301338590.db2.gz GHJCHQXLOFDLMI-QGZVFWFLSA-N 2 2 308.429 3.156 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccc(F)cc2O1 ZINC000657400291 436181437 /nfs/dbraw/zinc/18/14/37/436181437.db2.gz QVZVDPFAWXUCJN-OAHLLOKOSA-N 2 2 315.392 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661768519 436184231 /nfs/dbraw/zinc/18/42/31/436184231.db2.gz XZRMROGCSUTCGO-MAUKXSAKSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661768519 436184235 /nfs/dbraw/zinc/18/42/35/436184235.db2.gz XZRMROGCSUTCGO-MAUKXSAKSA-N 2 2 315.461 3.360 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000657525977 436233892 /nfs/dbraw/zinc/23/38/92/436233892.db2.gz ZFPKLUYVWJBOSS-GFCCVEGCSA-N 2 2 316.367 3.390 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000657525977 436233896 /nfs/dbraw/zinc/23/38/96/436233896.db2.gz ZFPKLUYVWJBOSS-GFCCVEGCSA-N 2 2 316.367 3.390 20 0 DGADLP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657526443 436234511 /nfs/dbraw/zinc/23/45/11/436234511.db2.gz HIGOQTCQCPUETR-RDJZCZTQSA-N 2 2 320.477 3.063 20 0 DGADLP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657526443 436234512 /nfs/dbraw/zinc/23/45/12/436234512.db2.gz HIGOQTCQCPUETR-RDJZCZTQSA-N 2 2 320.477 3.063 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657523852 436234755 /nfs/dbraw/zinc/23/47/55/436234755.db2.gz LJCZSBHBYMAWDL-HNNXBMFYSA-N 2 2 306.450 3.056 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657523852 436234757 /nfs/dbraw/zinc/23/47/57/436234757.db2.gz LJCZSBHBYMAWDL-HNNXBMFYSA-N 2 2 306.450 3.056 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000657528179 436236518 /nfs/dbraw/zinc/23/65/18/436236518.db2.gz RDUXQKAWJDFMEH-YQBZFSLMSA-N 2 2 302.462 3.227 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000657528179 436236523 /nfs/dbraw/zinc/23/65/23/436236523.db2.gz RDUXQKAWJDFMEH-YQBZFSLMSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000657536761 436238301 /nfs/dbraw/zinc/23/83/01/436238301.db2.gz ZJSFMUSTPNTHTJ-MBOZVWFJSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000657536761 436238303 /nfs/dbraw/zinc/23/83/03/436238303.db2.gz ZJSFMUSTPNTHTJ-MBOZVWFJSA-N 2 2 309.457 3.295 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1N1CCCCC1)CCC2 ZINC000657428722 436196384 /nfs/dbraw/zinc/19/63/84/436196384.db2.gz NIEHPUBSEQTQCT-UHFFFAOYSA-N 2 2 310.445 3.109 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C)c2Br)n1C ZINC000657444875 436205065 /nfs/dbraw/zinc/20/50/65/436205065.db2.gz QMQPCBQLUSQZDV-UHFFFAOYSA-N 2 2 308.223 3.089 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(Br)s2)n1C ZINC000657448289 436207679 /nfs/dbraw/zinc/20/76/79/436207679.db2.gz WGZHDGVFMWLRIM-MRVPVSSYSA-N 2 2 314.252 3.403 20 0 DGADLP COCCCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657453192 436210416 /nfs/dbraw/zinc/21/04/16/436210416.db2.gz SBVGWJWBWQHRRP-SFHVURJKSA-N 2 2 313.445 3.477 20 0 DGADLP Fc1ccc2[nH]cc(CCC[NH2+]Cc3c[nH+]c4n3CCC4)c2c1 ZINC000657458690 436211633 /nfs/dbraw/zinc/21/16/33/436211633.db2.gz HTYQMQUYZPXLCB-UHFFFAOYSA-N 2 2 312.392 3.172 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]C1[C@@H]3CC[C@H]1Cc1ccccc1C3)CCC2 ZINC000657465013 436214665 /nfs/dbraw/zinc/21/46/65/436214665.db2.gz FCLJZROHGGPGMK-XEWABKELSA-N 2 2 307.441 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C[N@@H+]1C1CC1 ZINC000657709260 436286762 /nfs/dbraw/zinc/28/67/62/436286762.db2.gz OZBMJZKMJKAKKO-YALNPMBYSA-N 2 2 306.494 3.328 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C[N@H+]1C1CC1 ZINC000657709260 436286766 /nfs/dbraw/zinc/28/67/66/436286766.db2.gz OZBMJZKMJKAKKO-YALNPMBYSA-N 2 2 306.494 3.328 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](c3ccccc3)[C@@H](O)C(C)C)c[nH+]c12 ZINC000657748632 436294474 /nfs/dbraw/zinc/29/44/74/436294474.db2.gz VUKBZDPYUMELMM-MOPGFXCFSA-N 2 2 323.440 3.491 20 0 DGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCC1 ZINC000657558633 436243959 /nfs/dbraw/zinc/24/39/59/436243959.db2.gz FILZHZFMMJZILR-GOSISDBHSA-N 2 2 322.880 3.055 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000657563415 436247241 /nfs/dbraw/zinc/24/72/41/436247241.db2.gz NZNWWHHQVIBFOV-IRXDYDNUSA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000657563415 436247244 /nfs/dbraw/zinc/24/72/44/436247244.db2.gz NZNWWHHQVIBFOV-IRXDYDNUSA-N 2 2 302.462 3.015 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000657657071 436268771 /nfs/dbraw/zinc/26/87/71/436268771.db2.gz NVXDPDBHMFYTJD-KCQAQPDRSA-N 2 2 304.400 3.429 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)n1C ZINC000657659619 436269989 /nfs/dbraw/zinc/26/99/89/436269989.db2.gz OVAMNPPDOMUERE-UHFFFAOYSA-N 2 2 313.232 3.083 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@@H]3CC[N@@H+](C4CCCCC4)C3)cn2c1 ZINC000657677438 436275875 /nfs/dbraw/zinc/27/58/75/436275875.db2.gz CNYLPABMVRZLQD-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)cn2c1 ZINC000657677438 436275878 /nfs/dbraw/zinc/27/58/78/436275878.db2.gz CNYLPABMVRZLQD-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1OCC ZINC000666766971 436277709 /nfs/dbraw/zinc/27/77/09/436277709.db2.gz OCENDCRHFGDEIO-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000666758724 436277757 /nfs/dbraw/zinc/27/77/57/436277757.db2.gz HARVKUUAGQIABX-CQSZACIVSA-N 2 2 319.474 3.426 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000666769693 436279139 /nfs/dbraw/zinc/27/91/39/436279139.db2.gz CCPGAXCVOGKALT-KGLIPLIRSA-N 2 2 323.868 3.097 20 0 DGADLP Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000666769726 436279407 /nfs/dbraw/zinc/27/94/07/436279407.db2.gz DCTHAOBOUPXDPS-KRWDZBQOSA-N 2 2 321.896 3.036 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657977968 436349160 /nfs/dbraw/zinc/34/91/60/436349160.db2.gz IXAGTZWFAWQPHL-KBAYOESNSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657977968 436349162 /nfs/dbraw/zinc/34/91/62/436349162.db2.gz IXAGTZWFAWQPHL-KBAYOESNSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912005 436299325 /nfs/dbraw/zinc/29/93/25/436299325.db2.gz DAZKJZZYIHJTTK-GOSISDBHSA-N 2 2 307.397 3.494 20 0 DGADLP c1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)co1 ZINC000657773578 436301708 /nfs/dbraw/zinc/30/17/08/436301708.db2.gz SJQCSQJFZQHXEN-KRWDZBQOSA-N 2 2 311.429 3.067 20 0 DGADLP c1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)co1 ZINC000657773578 436301711 /nfs/dbraw/zinc/30/17/11/436301711.db2.gz SJQCSQJFZQHXEN-KRWDZBQOSA-N 2 2 311.429 3.067 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(F)F)nc1 ZINC000658007353 436352916 /nfs/dbraw/zinc/35/29/16/436352916.db2.gz PXJHBIRLKKHXAB-NSHDSACASA-N 2 2 306.360 3.403 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657792992 436308737 /nfs/dbraw/zinc/30/87/37/436308737.db2.gz GYGZFESGWILNIO-AEFFLSMTSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657792992 436308738 /nfs/dbraw/zinc/30/87/38/436308738.db2.gz GYGZFESGWILNIO-AEFFLSMTSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1oc2ccccc2c1Br)C1CC1 ZINC000662247219 436310735 /nfs/dbraw/zinc/31/07/35/436310735.db2.gz CUDYXDWXCHDFOI-HNNXBMFYSA-N 2 2 323.234 3.412 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1oc2ccccc2c1Br)C1CC1 ZINC000662247221 436311517 /nfs/dbraw/zinc/31/15/17/436311517.db2.gz CUDYXDWXCHDFOI-OAHLLOKOSA-N 2 2 323.234 3.412 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000662248145 436311700 /nfs/dbraw/zinc/31/17/00/436311700.db2.gz VCQRAMSKUXOUBH-ZDUSSCGKSA-N 2 2 304.356 3.232 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000662248145 436311703 /nfs/dbraw/zinc/31/17/03/436311703.db2.gz VCQRAMSKUXOUBH-ZDUSSCGKSA-N 2 2 304.356 3.232 20 0 DGADLP COc1ccc(C2CCC([NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000666946450 436312638 /nfs/dbraw/zinc/31/26/38/436312638.db2.gz CTHFRDUFDURIHJ-PZJKJEQHSA-N 2 2 306.425 3.011 20 0 DGADLP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662250814 436314222 /nfs/dbraw/zinc/31/42/22/436314222.db2.gz OQRVXYIGNIQQIZ-ZWKOTPCHSA-N 2 2 302.462 3.109 20 0 DGADLP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662250814 436314224 /nfs/dbraw/zinc/31/42/24/436314224.db2.gz OQRVXYIGNIQQIZ-ZWKOTPCHSA-N 2 2 302.462 3.109 20 0 DGADLP COc1cccc(SCC[N@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000662265185 436317113 /nfs/dbraw/zinc/31/71/13/436317113.db2.gz GCXIOLQOROBBGK-UHFFFAOYSA-N 2 2 316.470 3.248 20 0 DGADLP COc1cccc(SCC[N@@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000662265185 436317117 /nfs/dbraw/zinc/31/71/17/436317117.db2.gz GCXIOLQOROBBGK-UHFFFAOYSA-N 2 2 316.470 3.248 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000657820408 436318302 /nfs/dbraw/zinc/31/83/02/436318302.db2.gz KECKSFPMBVOXCZ-RHSMWYFYSA-N 2 2 307.401 3.255 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ncccc1C(F)(F)F ZINC000666972485 436319282 /nfs/dbraw/zinc/31/92/82/436319282.db2.gz PTQLXVSVTMUYOB-HNNXBMFYSA-N 2 2 323.362 3.452 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCSCC2)c[nH+]1 ZINC000657830841 436320246 /nfs/dbraw/zinc/32/02/46/436320246.db2.gz PLTQXZKHQPNMOG-KRWDZBQOSA-N 2 2 301.459 3.307 20 0 DGADLP COc1ccc(-c2nc(C[NH2+]CCC[NH2+]C3CC3)cs2)cc1 ZINC000666989651 436320458 /nfs/dbraw/zinc/32/04/58/436320458.db2.gz RQLQJEUUCQCHEK-UHFFFAOYSA-N 2 2 317.458 3.050 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C(F)F ZINC000657845548 436325149 /nfs/dbraw/zinc/32/51/49/436325149.db2.gz LTVHLUXUARSFRZ-ZDUSSCGKSA-N 2 2 311.420 3.315 20 0 DGADLP Fc1cc(F)cc([C@H]2COCC[N@@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662311893 436329444 /nfs/dbraw/zinc/32/94/44/436329444.db2.gz WTBICYCWSDHTHV-GOSISDBHSA-N 2 2 324.415 3.118 20 0 DGADLP Fc1cc(F)cc([C@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662311893 436329449 /nfs/dbraw/zinc/32/94/49/436329449.db2.gz WTBICYCWSDHTHV-GOSISDBHSA-N 2 2 324.415 3.118 20 0 DGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321339 436330444 /nfs/dbraw/zinc/33/04/44/436330444.db2.gz BNRPYUWSMPTSRR-QGZVFWFLSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(Cl)ccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321339 436330446 /nfs/dbraw/zinc/33/04/46/436330446.db2.gz BNRPYUWSMPTSRR-QGZVFWFLSA-N 2 2 310.869 3.191 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320932 436331336 /nfs/dbraw/zinc/33/13/36/436331336.db2.gz FUJWSBHRQQWMSH-ZFWWWQNUSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320932 436331339 /nfs/dbraw/zinc/33/13/39/436331339.db2.gz FUJWSBHRQQWMSH-ZFWWWQNUSA-N 2 2 312.404 3.068 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(Cl)c1 ZINC000662323625 436331423 /nfs/dbraw/zinc/33/14/23/436331423.db2.gz OIQXDHAOKMDQLK-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(Cl)c1 ZINC000662323625 436331425 /nfs/dbraw/zinc/33/14/25/436331425.db2.gz OIQXDHAOKMDQLK-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@](C)(C(F)F)O1 ZINC000662360120 436338013 /nfs/dbraw/zinc/33/80/13/436338013.db2.gz FECXRHLVNVEFMN-CXAGYDPISA-N 2 2 321.371 3.117 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@](C)(C(F)F)O1 ZINC000662360120 436338016 /nfs/dbraw/zinc/33/80/16/436338016.db2.gz FECXRHLVNVEFMN-CXAGYDPISA-N 2 2 321.371 3.117 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658060262 436363385 /nfs/dbraw/zinc/36/33/85/436363385.db2.gz YOAFVFMPVASLEB-UONOGXRCSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658060262 436363387 /nfs/dbraw/zinc/36/33/87/436363387.db2.gz YOAFVFMPVASLEB-UONOGXRCSA-N 2 2 306.450 3.227 20 0 DGADLP C1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2(C1)CCCCC2 ZINC000658068967 436364394 /nfs/dbraw/zinc/36/43/94/436364394.db2.gz IHAVWDRLGQHLQB-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090209 436371363 /nfs/dbraw/zinc/37/13/63/436371363.db2.gz FMANPDWYNCIKCM-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090209 436371366 /nfs/dbraw/zinc/37/13/66/436371366.db2.gz FMANPDWYNCIKCM-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092661 436372201 /nfs/dbraw/zinc/37/22/01/436372201.db2.gz RAHQCPOGUQOKMW-ZBFHGGJFSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092661 436372203 /nfs/dbraw/zinc/37/22/03/436372203.db2.gz RAHQCPOGUQOKMW-ZBFHGGJFSA-N 2 2 318.461 3.199 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658089823 436372612 /nfs/dbraw/zinc/37/26/12/436372612.db2.gz BFHKFGIWIOTERJ-NVXWUHKLSA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658089823 436372616 /nfs/dbraw/zinc/37/26/16/436372616.db2.gz BFHKFGIWIOTERJ-NVXWUHKLSA-N 2 2 304.478 3.479 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)CC4([NH3+])CC4)cc3)[nH+]c12 ZINC000662686103 436378162 /nfs/dbraw/zinc/37/81/62/436378162.db2.gz AVONVHQRSUHIQY-UHFFFAOYSA-N 2 2 320.396 3.130 20 0 DGADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000662707302 436380005 /nfs/dbraw/zinc/38/00/05/436380005.db2.gz JABUDBOONGJXSX-ZDUSSCGKSA-N 2 2 300.406 3.026 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000658125780 436381807 /nfs/dbraw/zinc/38/18/07/436381807.db2.gz YJNMWSIJPHVGMT-OAHLLOKOSA-N 2 2 322.415 3.339 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658125643 436382605 /nfs/dbraw/zinc/38/26/05/436382605.db2.gz IPQDLOZTDLKSJW-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658125643 436382609 /nfs/dbraw/zinc/38/26/09/436382609.db2.gz IPQDLOZTDLKSJW-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1F ZINC000658164893 436392193 /nfs/dbraw/zinc/39/21/93/436392193.db2.gz ARRFLXLYGHGPAH-LPHOPBHVSA-N 2 2 320.452 3.366 20 0 DGADLP CC(C)(C)OCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658184069 436397858 /nfs/dbraw/zinc/39/78/58/436397858.db2.gz HPKNPBNFRHKILC-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CC(C)(C)OCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658184069 436397861 /nfs/dbraw/zinc/39/78/61/436397861.db2.gz HPKNPBNFRHKILC-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP c1ccc(O[C@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000658192069 436399029 /nfs/dbraw/zinc/39/90/29/436399029.db2.gz USUTXPDOGLEPJL-UAPYVXQJSA-N 2 2 323.440 3.250 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000658220281 436404114 /nfs/dbraw/zinc/40/41/14/436404114.db2.gz PKBVOGBQKBEING-NZSAHSFTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000658220281 436404115 /nfs/dbraw/zinc/40/41/15/436404115.db2.gz PKBVOGBQKBEING-NZSAHSFTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC000658220452 436404284 /nfs/dbraw/zinc/40/42/84/436404284.db2.gz HFNDSFGFJOMLOX-VQIMIIECSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC000658220452 436404288 /nfs/dbraw/zinc/40/42/88/436404288.db2.gz HFNDSFGFJOMLOX-VQIMIIECSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222315 436404369 /nfs/dbraw/zinc/40/43/69/436404369.db2.gz QVFLKAIPRASATM-OIISXLGYSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222315 436404372 /nfs/dbraw/zinc/40/43/72/436404372.db2.gz QVFLKAIPRASATM-OIISXLGYSA-N 2 2 323.431 3.317 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)o1 ZINC000654382473 436406667 /nfs/dbraw/zinc/40/66/67/436406667.db2.gz MJFDXZGAVJNBNR-UHFFFAOYSA-N 2 2 315.417 3.063 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000658026107 436355697 /nfs/dbraw/zinc/35/56/97/436355697.db2.gz QOKVFYZDPGXLBF-ROUUACIJSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000658026107 436355699 /nfs/dbraw/zinc/35/56/99/436355699.db2.gz QOKVFYZDPGXLBF-ROUUACIJSA-N 2 2 324.896 3.098 20 0 DGADLP c1ccc(Nc2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)cc1 ZINC000663387149 436451882 /nfs/dbraw/zinc/45/18/82/436451882.db2.gz VTMGVLCKNPVNAO-AWEZNQCLSA-N 2 2 309.417 3.116 20 0 DGADLP c1ccc(Nc2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)cc1 ZINC000663387149 436451885 /nfs/dbraw/zinc/45/18/85/436451885.db2.gz VTMGVLCKNPVNAO-AWEZNQCLSA-N 2 2 309.417 3.116 20 0 DGADLP OC1CC[NH+](CCCNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000663402301 436453349 /nfs/dbraw/zinc/45/33/49/436453349.db2.gz IDIORIVHOFXLRM-UHFFFAOYSA-N 2 2 319.836 3.147 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000663469774 436464972 /nfs/dbraw/zinc/46/49/72/436464972.db2.gz DDTAZVLUKXJXHW-SFHVURJKSA-N 2 2 324.472 3.322 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658283217 436417049 /nfs/dbraw/zinc/41/70/49/436417049.db2.gz AYVBFMDGLDEEQO-NZSAHSFTSA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658283217 436417053 /nfs/dbraw/zinc/41/70/53/436417053.db2.gz AYVBFMDGLDEEQO-NZSAHSFTSA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287360 436418438 /nfs/dbraw/zinc/41/84/38/436418438.db2.gz ZIZODYGWOJCJOT-RGIVZKHGSA-N 2 2 302.462 3.261 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287360 436418441 /nfs/dbraw/zinc/41/84/41/436418441.db2.gz ZIZODYGWOJCJOT-RGIVZKHGSA-N 2 2 302.462 3.261 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288785 436418567 /nfs/dbraw/zinc/41/85/67/436418567.db2.gz ZOIOKKCWJJLEOK-QAPCUYQASA-N 3 2 312.461 3.316 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288785 436418570 /nfs/dbraw/zinc/41/85/70/436418570.db2.gz ZOIOKKCWJJLEOK-QAPCUYQASA-N 3 2 312.461 3.316 20 0 DGADLP CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288785 436418574 /nfs/dbraw/zinc/41/85/74/436418574.db2.gz ZOIOKKCWJJLEOK-QAPCUYQASA-N 2 2 312.461 3.316 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658295826 436420433 /nfs/dbraw/zinc/42/04/33/436420433.db2.gz OVCANRXAKZBBPC-MXASKKJJSA-N 2 2 320.502 3.083 20 0 DGADLP Fc1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)s2)cc1 ZINC000663501579 436470354 /nfs/dbraw/zinc/47/03/54/436470354.db2.gz JSFYWHCQQCQWKU-UHFFFAOYSA-N 2 2 302.418 3.396 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498518 436470684 /nfs/dbraw/zinc/47/06/84/436470684.db2.gz OTPVFRPZASFORR-UHFFFAOYSA-N 2 2 318.367 3.283 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(F)cccc1Br ZINC000663502706 436472488 /nfs/dbraw/zinc/47/24/88/436472488.db2.gz KMRKMMOBBHUULW-CYBMUJFWSA-N 2 2 303.219 3.051 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000663512975 436473461 /nfs/dbraw/zinc/47/34/61/436473461.db2.gz IAQVJMSUHBVZPU-CQSZACIVSA-N 2 2 318.411 3.316 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000663514211 436473560 /nfs/dbraw/zinc/47/35/60/436473560.db2.gz PARZGYWQEFFMTA-AWEZNQCLSA-N 2 2 300.402 3.185 20 0 DGADLP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858418 436546815 /nfs/dbraw/zinc/54/68/15/436546815.db2.gz DKEODMXHOKDRQJ-IRXDYDNUSA-N 2 2 322.493 3.169 20 0 DGADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858418 436546818 /nfs/dbraw/zinc/54/68/18/436546818.db2.gz DKEODMXHOKDRQJ-IRXDYDNUSA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858418 436546822 /nfs/dbraw/zinc/54/68/22/436546822.db2.gz DKEODMXHOKDRQJ-IRXDYDNUSA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858418 436546825 /nfs/dbraw/zinc/54/68/25/436546825.db2.gz DKEODMXHOKDRQJ-IRXDYDNUSA-N 2 2 322.493 3.169 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000659865832 436548293 /nfs/dbraw/zinc/54/82/93/436548293.db2.gz QPAMWOJRDZGVHJ-OAHLLOKOSA-N 2 2 323.506 3.096 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000659865832 436548296 /nfs/dbraw/zinc/54/82/96/436548296.db2.gz QPAMWOJRDZGVHJ-OAHLLOKOSA-N 2 2 323.506 3.096 20 0 DGADLP CCN(Cc1cn(C)c[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659868588 436550560 /nfs/dbraw/zinc/55/05/60/436550560.db2.gz PKCMUOGRQLNKJS-VQIMIIECSA-N 2 2 312.461 3.078 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655678874 436572687 /nfs/dbraw/zinc/57/26/87/436572687.db2.gz LTTQPQRVVIKXLV-DZGCQCFKSA-N 2 2 308.853 3.244 20 0 DGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655689988 436575523 /nfs/dbraw/zinc/57/55/23/436575523.db2.gz QKODIFYYRWDGET-RDJZCZTQSA-N 2 2 318.486 3.066 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655690869 436576129 /nfs/dbraw/zinc/57/61/29/436576129.db2.gz AATRUUAYZZIGJM-OALUTQOASA-N 2 2 302.462 3.227 20 0 DGADLP c1cn(C2CC[NH+](CCc3nsc4ccccc43)CC2)c[nH+]1 ZINC000659999131 436577193 /nfs/dbraw/zinc/57/71/93/436577193.db2.gz ODNVJNJRMRLTPC-UHFFFAOYSA-N 2 2 312.442 3.372 20 0 DGADLP COc1cccc(SCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000660127876 436593919 /nfs/dbraw/zinc/59/39/19/436593919.db2.gz FVTNEDGQJHYAAI-AWEZNQCLSA-N 2 2 317.458 3.010 20 0 DGADLP C[N@H+](Cc1cncs1)[C@@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000660126545 436594014 /nfs/dbraw/zinc/59/40/14/436594014.db2.gz XFLDGAZRCGGIIX-CYBMUJFWSA-N 2 2 322.503 3.086 20 0 DGADLP C[N@@H+](Cc1cncs1)[C@@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000660126545 436594016 /nfs/dbraw/zinc/59/40/16/436594016.db2.gz XFLDGAZRCGGIIX-CYBMUJFWSA-N 2 2 322.503 3.086 20 0 DGADLP C[NH+](Cc1cncs1)[C@@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000660126545 436594021 /nfs/dbraw/zinc/59/40/21/436594021.db2.gz XFLDGAZRCGGIIX-CYBMUJFWSA-N 2 2 322.503 3.086 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256186 436615234 /nfs/dbraw/zinc/61/52/34/436615234.db2.gz JMXXHWJZECTSML-HIFRSBDPSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256186 436615237 /nfs/dbraw/zinc/61/52/37/436615237.db2.gz JMXXHWJZECTSML-HIFRSBDPSA-N 2 2 303.450 3.295 20 0 DGADLP Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc[nH+]1 ZINC000664562410 436618261 /nfs/dbraw/zinc/61/82/61/436618261.db2.gz GNHAUBPCZIZMNF-GOSISDBHSA-N 2 2 322.456 3.499 20 0 DGADLP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc[nH+]1 ZINC000664562410 436618264 /nfs/dbraw/zinc/61/82/64/436618264.db2.gz GNHAUBPCZIZMNF-GOSISDBHSA-N 2 2 322.456 3.499 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000281582225 302244392 /nfs/dbraw/zinc/24/43/92/302244392.db2.gz LCRIVQLHDCMMKZ-VXNCWWDNSA-N 2 2 313.489 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000281582225 302244394 /nfs/dbraw/zinc/24/43/94/302244394.db2.gz LCRIVQLHDCMMKZ-VXNCWWDNSA-N 2 2 313.489 3.489 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000287488251 302267536 /nfs/dbraw/zinc/26/75/36/302267536.db2.gz KQALSMIYBIRWLE-CYBMUJFWSA-N 2 2 318.465 3.330 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000287488251 302267539 /nfs/dbraw/zinc/26/75/39/302267539.db2.gz KQALSMIYBIRWLE-CYBMUJFWSA-N 2 2 318.465 3.330 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCC3)cc1F ZINC000423365481 303131027 /nfs/dbraw/zinc/13/10/27/303131027.db2.gz KFGPYLUGXIYNIH-XKQJLSEDSA-N 2 2 306.400 3.333 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000174511205 312763547 /nfs/dbraw/zinc/76/35/47/312763547.db2.gz DRPRFSAURSWDAA-MSOLQXFVSA-N 2 2 311.429 3.310 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000377263250 313034532 /nfs/dbraw/zinc/03/45/32/313034532.db2.gz WSCJNKYRSBDUBR-CQSZACIVSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000377263250 313034534 /nfs/dbraw/zinc/03/45/34/313034534.db2.gz WSCJNKYRSBDUBR-CQSZACIVSA-N 2 2 319.836 3.462 20 0 DGADLP COc1cccc([C@@H]2C[N@H+](CCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528619758 313045252 /nfs/dbraw/zinc/04/52/52/313045252.db2.gz NERKYCUZIGPGDQ-SFHVURJKSA-N 2 2 313.445 3.097 20 0 DGADLP COc1cccc([C@@H]2C[N@@H+](CCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528619758 313045258 /nfs/dbraw/zinc/04/52/58/313045258.db2.gz NERKYCUZIGPGDQ-SFHVURJKSA-N 2 2 313.445 3.097 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](CCCCc2ccccc2)CC1 ZINC000528726655 313067333 /nfs/dbraw/zinc/06/73/33/313067333.db2.gz KAWIXQNDYAPFQN-UHFFFAOYSA-N 2 2 316.489 3.196 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528732180 313068253 /nfs/dbraw/zinc/06/82/53/313068253.db2.gz XZVIMBVXDOIQMF-HNNXBMFYSA-N 2 2 306.425 3.073 20 0 DGADLP FC(F)(F)c1cccc2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000528794101 313084179 /nfs/dbraw/zinc/08/41/79/313084179.db2.gz PGVIUSMKEJHAMM-UHFFFAOYSA-N 2 2 309.335 3.350 20 0 DGADLP FC(F)(F)c1cccc2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000528794101 313084182 /nfs/dbraw/zinc/08/41/82/313084182.db2.gz PGVIUSMKEJHAMM-UHFFFAOYSA-N 2 2 309.335 3.350 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cn2)[C@@H]1c1cccs1 ZINC000529546884 313223774 /nfs/dbraw/zinc/22/37/74/313223774.db2.gz GZPBZGNQFKQNGK-CXAGYDPISA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cn2)[C@@H]1c1cccs1 ZINC000529546884 313223776 /nfs/dbraw/zinc/22/37/76/313223776.db2.gz GZPBZGNQFKQNGK-CXAGYDPISA-N 2 2 319.449 3.455 20 0 DGADLP C[C@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000529663271 313249436 /nfs/dbraw/zinc/24/94/36/313249436.db2.gz IOUGLEGYHXBEQZ-MRXNPFEDSA-N 2 2 320.452 3.116 20 0 DGADLP CCCc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)s1 ZINC000529663474 313249724 /nfs/dbraw/zinc/24/97/24/313249724.db2.gz BWXKOQNCOIKWFS-UHFFFAOYSA-N 2 2 322.518 3.387 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCc2c[nH+]ccc2C)C2CC2)cn1 ZINC000529690680 313255174 /nfs/dbraw/zinc/25/51/74/313255174.db2.gz VADYVBUXAACFCN-IBGZPJMESA-N 2 2 311.429 3.467 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC)c(OC)c1 ZINC000530226341 313342683 /nfs/dbraw/zinc/34/26/83/313342683.db2.gz ZYHPAZPKOGANIP-PBHICJAKSA-N 2 2 304.434 3.029 20 0 DGADLP c1ccc(NC[C@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410680 313366829 /nfs/dbraw/zinc/36/68/29/313366829.db2.gz LGDIXDHQGAUDTB-SJORKVTESA-N 2 2 315.461 3.307 20 0 DGADLP c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410680 313366832 /nfs/dbraw/zinc/36/68/32/313366832.db2.gz LGDIXDHQGAUDTB-SJORKVTESA-N 2 2 315.461 3.307 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000530410758 313367041 /nfs/dbraw/zinc/36/70/41/313367041.db2.gz XQMLSASBQCHMKT-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000530410758 313367044 /nfs/dbraw/zinc/36/70/44/313367044.db2.gz XQMLSASBQCHMKT-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP CCc1noc(C)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863894 313684383 /nfs/dbraw/zinc/68/43/83/313684383.db2.gz PJWZIVMJLQVSIQ-UHFFFAOYSA-N 2 2 300.406 3.017 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(CC)CC ZINC000540595297 313967798 /nfs/dbraw/zinc/96/77/98/313967798.db2.gz YMIBYGWWZGYPAV-IAGOWNOFSA-N 2 2 315.461 3.450 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236683 314001664 /nfs/dbraw/zinc/00/16/64/314001664.db2.gz XMJZEJSRSVXOQX-AWEZNQCLSA-N 2 2 322.880 3.439 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236683 314001666 /nfs/dbraw/zinc/00/16/66/314001666.db2.gz XMJZEJSRSVXOQX-AWEZNQCLSA-N 2 2 322.880 3.439 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236683 314001669 /nfs/dbraw/zinc/00/16/69/314001669.db2.gz XMJZEJSRSVXOQX-AWEZNQCLSA-N 2 2 322.880 3.439 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236683 314001672 /nfs/dbraw/zinc/00/16/72/314001672.db2.gz XMJZEJSRSVXOQX-AWEZNQCLSA-N 2 2 322.880 3.439 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000541236799 314001945 /nfs/dbraw/zinc/00/19/45/314001945.db2.gz FFVMWEZAPINLQX-IBGZPJMESA-N 2 2 303.494 3.223 20 0 DGADLP CS[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000541554382 314022864 /nfs/dbraw/zinc/02/28/64/314022864.db2.gz DDSJVMOSWVATSN-OAHLLOKOSA-N 2 2 307.507 3.418 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482609 314079140 /nfs/dbraw/zinc/07/91/40/314079140.db2.gz OGMPMJOIBXKUQG-SOAMZJECSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482609 314079144 /nfs/dbraw/zinc/07/91/44/314079144.db2.gz OGMPMJOIBXKUQG-SOAMZJECSA-N 2 2 316.489 3.302 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000542663102 314089646 /nfs/dbraw/zinc/08/96/46/314089646.db2.gz QHIMSICJWLZVKY-IPMKNSEASA-N 2 2 310.445 3.028 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccccc1)c1cncnc1)C[NH+]1CCCCC1 ZINC000542670528 314090589 /nfs/dbraw/zinc/09/05/89/314090589.db2.gz GUXRLFINMVEIRJ-YLJYHZDGSA-N 2 2 324.472 3.278 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cncnc2)cc1 ZINC000543603446 314144731 /nfs/dbraw/zinc/14/47/31/314144731.db2.gz VFAJSIPRDYJETM-FQEVSTJZSA-N 2 2 322.456 3.030 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360964 314188169 /nfs/dbraw/zinc/18/81/69/314188169.db2.gz XIZRQPMHIHKWIG-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360964 314188171 /nfs/dbraw/zinc/18/81/71/314188171.db2.gz XIZRQPMHIHKWIG-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528334 314197110 /nfs/dbraw/zinc/19/71/10/314197110.db2.gz FHLWTRNUUATUDF-WOJBJXKFSA-N 2 2 316.489 3.194 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528334 314197116 /nfs/dbraw/zinc/19/71/16/314197116.db2.gz FHLWTRNUUATUDF-WOJBJXKFSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528334 314197120 /nfs/dbraw/zinc/19/71/20/314197120.db2.gz FHLWTRNUUATUDF-WOJBJXKFSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528334 314197123 /nfs/dbraw/zinc/19/71/23/314197123.db2.gz FHLWTRNUUATUDF-WOJBJXKFSA-N 2 2 316.489 3.194 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000545276700 314240221 /nfs/dbraw/zinc/24/02/21/314240221.db2.gz YDIHJSDNMDCUMN-NXHRZFHOSA-N 2 2 301.478 3.348 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000545276700 314240225 /nfs/dbraw/zinc/24/02/25/314240225.db2.gz YDIHJSDNMDCUMN-NXHRZFHOSA-N 2 2 301.478 3.348 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000555523921 314726416 /nfs/dbraw/zinc/72/64/16/314726416.db2.gz KCMKYGOFBJHUHB-QZTJIDSGSA-N 2 2 324.509 3.210 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+]1CC(C)C1 ZINC000557580931 314810894 /nfs/dbraw/zinc/81/08/94/314810894.db2.gz GFYWBXWEBPBPAZ-CQSZACIVSA-N 2 2 311.385 3.153 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCO[C@@H]2C)[NH+](CC)CC)cc1 ZINC000559872898 314893671 /nfs/dbraw/zinc/89/36/71/314893671.db2.gz YKBGXCWHUOINKN-MNEFBYGVSA-N 2 2 304.478 3.399 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000563339453 315103847 /nfs/dbraw/zinc/10/38/47/315103847.db2.gz UTQPVMZAVUPZQM-QRWLVFNGSA-N 2 2 309.457 3.009 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@H]2C ZINC000563354660 315105760 /nfs/dbraw/zinc/10/57/60/315105760.db2.gz NMNFKYYOZHEQJW-GJZGRUSLSA-N 2 2 313.445 3.369 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@H]2C ZINC000563354660 315105762 /nfs/dbraw/zinc/10/57/62/315105762.db2.gz NMNFKYYOZHEQJW-GJZGRUSLSA-N 2 2 313.445 3.369 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1 ZINC000563427462 315114628 /nfs/dbraw/zinc/11/46/28/315114628.db2.gz GEJZAJVCJYCHTM-CQSZACIVSA-N 2 2 312.442 3.063 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000563444776 315116330 /nfs/dbraw/zinc/11/63/30/315116330.db2.gz QFZCZMHPLIAOKX-RCCFBDPRSA-N 2 2 318.509 3.156 20 0 DGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000563778929 315137064 /nfs/dbraw/zinc/13/70/64/315137064.db2.gz BOGJXNAXUHNDSV-SWLSCSKDSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000563778929 315137068 /nfs/dbraw/zinc/13/70/68/315137068.db2.gz BOGJXNAXUHNDSV-SWLSCSKDSA-N 2 2 300.368 3.493 20 0 DGADLP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000563830833 315140954 /nfs/dbraw/zinc/14/09/54/315140954.db2.gz SBZSGTVUQKCEPF-INIZCTEOSA-N 2 2 324.896 3.159 20 0 DGADLP C[C@@H](C[NH2+]CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000564298787 315166778 /nfs/dbraw/zinc/16/67/78/315166778.db2.gz ANOIIHQNXMNBCH-ZDUSSCGKSA-N 2 2 300.368 3.494 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000565229075 315245119 /nfs/dbraw/zinc/24/51/19/315245119.db2.gz KJWYQLUIMVALOV-CQSZACIVSA-N 2 2 314.408 3.116 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237764 315245646 /nfs/dbraw/zinc/24/56/46/315245646.db2.gz KZJZCKOBIPNWRG-FUHWJXTLSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237764 315245647 /nfs/dbraw/zinc/24/56/47/315245647.db2.gz KZJZCKOBIPNWRG-FUHWJXTLSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237764 315245649 /nfs/dbraw/zinc/24/56/49/315245649.db2.gz KZJZCKOBIPNWRG-FUHWJXTLSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237764 315245651 /nfs/dbraw/zinc/24/56/51/315245651.db2.gz KZJZCKOBIPNWRG-FUHWJXTLSA-N 2 2 312.461 3.027 20 0 DGADLP c1cn(-c2cccc(C[NH2+]C3CCC4(CCCO4)CC3)c2)c[nH+]1 ZINC000565456185 315262336 /nfs/dbraw/zinc/26/23/36/315262336.db2.gz LLNOCXORJQNQJG-UHFFFAOYSA-N 2 2 311.429 3.454 20 0 DGADLP COCC[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000565613107 315274950 /nfs/dbraw/zinc/27/49/50/315274950.db2.gz RZKJTXLMXXROAR-UHFFFAOYSA-N 2 2 322.880 3.420 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000565783867 315287313 /nfs/dbraw/zinc/28/73/13/315287313.db2.gz DUPCNFBQIRHFAP-OALUTQOASA-N 2 2 322.456 3.052 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000565783867 315287316 /nfs/dbraw/zinc/28/73/16/315287316.db2.gz DUPCNFBQIRHFAP-OALUTQOASA-N 2 2 322.456 3.052 20 0 DGADLP C[C@H]([NH2+]Cc1nc(-c2cc3ccccc3o2)cs1)C1C[NH2+]C1 ZINC000566090959 315310909 /nfs/dbraw/zinc/31/09/09/315310909.db2.gz UFACEKIFRSQKOH-NSHDSACASA-N 2 2 313.426 3.254 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000566088440 315311121 /nfs/dbraw/zinc/31/11/21/315311121.db2.gz NXWXGKNJEAZQGJ-GOSISDBHSA-N 2 2 301.409 3.288 20 0 DGADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(C(C)(C)C)cc1 ZINC000566246053 315325802 /nfs/dbraw/zinc/32/58/02/315325802.db2.gz AYMZPLALSGTJKZ-UHFFFAOYSA-N 2 2 316.449 3.193 20 0 DGADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(C(C)(C)C)cc1 ZINC000566246053 315325803 /nfs/dbraw/zinc/32/58/03/315325803.db2.gz AYMZPLALSGTJKZ-UHFFFAOYSA-N 2 2 316.449 3.193 20 0 DGADLP Cn1c[nH+]cc1CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567047986 315392856 /nfs/dbraw/zinc/39/28/56/315392856.db2.gz DXWMZOOLYJBLIP-QGZVFWFLSA-N 2 2 301.459 3.318 20 0 DGADLP Cn1c[nH+]cc1CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000567047986 315392857 /nfs/dbraw/zinc/39/28/57/315392857.db2.gz DXWMZOOLYJBLIP-QGZVFWFLSA-N 2 2 301.459 3.318 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000570667636 315665649 /nfs/dbraw/zinc/66/56/49/315665649.db2.gz INFLOMFDMGCAAR-CYBMUJFWSA-N 2 2 321.346 3.414 20 0 DGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000571991820 315758959 /nfs/dbraw/zinc/75/89/59/315758959.db2.gz YSSBGYLFKKWAIN-UHFFFAOYSA-N 3 2 323.912 3.282 20 0 DGADLP Fc1ccc2nc(C[NH2+]CCCCn3cc[nH+]c3)sc2c1 ZINC000572222226 315775973 /nfs/dbraw/zinc/77/59/73/315775973.db2.gz VXBQOTUNBITTJI-UHFFFAOYSA-N 2 2 304.394 3.202 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)Nc1cc[nH+]c2ccncc12)[NH+](C)C ZINC000573195142 315846569 /nfs/dbraw/zinc/84/65/69/315846569.db2.gz XLXKTKXWTIAHCU-FOIQADDNSA-N 2 2 320.440 3.463 20 0 DGADLP CC[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccc(OC)cc1)C1CCOCC1 ZINC000573228010 315849889 /nfs/dbraw/zinc/84/98/89/315849889.db2.gz NPCQQFSCDYTSRQ-OALUTQOASA-N 2 2 320.477 3.093 20 0 DGADLP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000573898695 315911371 /nfs/dbraw/zinc/91/13/71/315911371.db2.gz DLPGKRLPBXRHEA-MRXNPFEDSA-N 2 2 307.825 3.294 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000574829827 316005291 /nfs/dbraw/zinc/00/52/91/316005291.db2.gz YHTDYAHXJAKKKZ-AWEZNQCLSA-N 2 2 317.458 3.257 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000574829827 316005295 /nfs/dbraw/zinc/00/52/95/316005295.db2.gz YHTDYAHXJAKKKZ-AWEZNQCLSA-N 2 2 317.458 3.257 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000574836204 316005379 /nfs/dbraw/zinc/00/53/79/316005379.db2.gz ZQMMOSLALDBSQK-HKUYNNGSSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000574836204 316005382 /nfs/dbraw/zinc/00/53/82/316005382.db2.gz ZQMMOSLALDBSQK-HKUYNNGSSA-N 2 2 314.473 3.159 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000576744664 316162910 /nfs/dbraw/zinc/16/29/10/316162910.db2.gz WLSNCANAQOSTRN-BEFAXECRSA-N 2 2 323.440 3.169 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2ccccc2n1 ZINC000577026651 316193914 /nfs/dbraw/zinc/19/39/14/316193914.db2.gz VWEGSKPKLLHDGV-HNNXBMFYSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2ccccc2n1 ZINC000577026651 316193917 /nfs/dbraw/zinc/19/39/17/316193917.db2.gz VWEGSKPKLLHDGV-HNNXBMFYSA-N 2 2 306.413 3.266 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000577048248 316195949 /nfs/dbraw/zinc/19/59/49/316195949.db2.gz MXSCHYMTMGRNMK-OKZBNKHCSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000577048248 316195950 /nfs/dbraw/zinc/19/59/50/316195950.db2.gz MXSCHYMTMGRNMK-OKZBNKHCSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000577227103 316215249 /nfs/dbraw/zinc/21/52/49/316215249.db2.gz IYMLWJLUIOROPE-UXPWSPDFSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000577227103 316215252 /nfs/dbraw/zinc/21/52/52/316215252.db2.gz IYMLWJLUIOROPE-UXPWSPDFSA-N 2 2 322.452 3.415 20 0 DGADLP Oc1cccc(C[N@@H+](Cc2cccc3[nH+]ccn32)CC2CC2)c1 ZINC000179917589 323216908 /nfs/dbraw/zinc/21/69/08/323216908.db2.gz WGNFYLGTHUPUPR-UHFFFAOYSA-N 2 2 307.397 3.452 20 0 DGADLP Oc1cccc(C[N@H+](Cc2cccc3[nH+]ccn32)CC2CC2)c1 ZINC000179917589 323216911 /nfs/dbraw/zinc/21/69/11/323216911.db2.gz WGNFYLGTHUPUPR-UHFFFAOYSA-N 2 2 307.397 3.452 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCC2 ZINC000181586528 323260451 /nfs/dbraw/zinc/26/04/51/323260451.db2.gz IEVWZOYGPGUAFY-IRXDYDNUSA-N 2 2 313.445 3.433 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOCc1ccccc1 ZINC000182453097 323299585 /nfs/dbraw/zinc/29/95/85/323299585.db2.gz GNBLMFVRUUULRG-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOCc1ccccc1 ZINC000182453097 323299590 /nfs/dbraw/zinc/29/95/90/323299590.db2.gz GNBLMFVRUUULRG-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOCc1ccccc1 ZINC000182453097 323299593 /nfs/dbraw/zinc/29/95/93/323299593.db2.gz GNBLMFVRUUULRG-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOCc1ccccc1 ZINC000182453097 323299595 /nfs/dbraw/zinc/29/95/95/323299595.db2.gz GNBLMFVRUUULRG-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)CCCOC)c(C)c2)CC1 ZINC000182566514 323305337 /nfs/dbraw/zinc/30/53/37/323305337.db2.gz DMKKLJTWFZJMSE-QGZVFWFLSA-N 2 2 319.493 3.364 20 0 DGADLP CCC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000184914142 323377347 /nfs/dbraw/zinc/37/73/47/323377347.db2.gz XFKFXCUJFSEJPK-SOLBZPMBSA-N 2 2 305.466 3.012 20 0 DGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000184914142 323377350 /nfs/dbraw/zinc/37/73/50/323377350.db2.gz XFKFXCUJFSEJPK-SOLBZPMBSA-N 2 2 305.466 3.012 20 0 DGADLP Cc1c[nH+]ccc1NC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000191976988 323451278 /nfs/dbraw/zinc/45/12/78/323451278.db2.gz UBWHLVVKWZVHTK-SFHVURJKSA-N 2 2 315.392 3.015 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Br)C[NH+](C)C ZINC000386480955 323638326 /nfs/dbraw/zinc/63/83/26/323638326.db2.gz IHCKKMMGGCAEAQ-GHMZBOCLSA-N 2 2 317.246 3.437 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)OCCCO2 ZINC000390880570 323668716 /nfs/dbraw/zinc/66/87/16/323668716.db2.gz UCXIDEOIJQEDBN-HNNXBMFYSA-N 2 2 315.417 3.175 20 0 DGADLP COc1ccc([C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000578617345 323758640 /nfs/dbraw/zinc/75/86/40/323758640.db2.gz DUFMFTNSAGNLTF-LSOMNZGLSA-N 2 2 318.461 3.034 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000579220718 323838934 /nfs/dbraw/zinc/83/89/34/323838934.db2.gz VSWLACPIGIVCEW-KSSFIOAISA-N 2 2 315.461 3.045 20 0 DGADLP Clc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)o2)cc1 ZINC000580297056 323981194 /nfs/dbraw/zinc/98/11/94/323981194.db2.gz COYZNZVRHQUVBE-MRXNPFEDSA-N 2 2 320.820 3.068 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000580423527 323995771 /nfs/dbraw/zinc/99/57/71/323995771.db2.gz XBOIIHKVOBNESD-UZLBHIALSA-N 2 2 321.424 3.127 20 0 DGADLP COc1cccc(C2(C[NH2+]Cc3c[nH+]c4ccc(C)cn34)CC2)c1 ZINC000580537462 324010064 /nfs/dbraw/zinc/01/00/64/324010064.db2.gz PVCZEIHFWKFLMY-UHFFFAOYSA-N 2 2 321.424 3.473 20 0 DGADLP CCOC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000581085905 324073518 /nfs/dbraw/zinc/07/35/18/324073518.db2.gz YDDLYSGVAHJEOS-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000581085905 324073520 /nfs/dbraw/zinc/07/35/20/324073520.db2.gz YDDLYSGVAHJEOS-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP [NH3+]C1(c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)CCCCC1 ZINC000581304934 324102339 /nfs/dbraw/zinc/10/23/39/324102339.db2.gz KUAMBRIYBHRSLQ-UHFFFAOYSA-N 2 2 309.373 3.040 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000581404244 324113555 /nfs/dbraw/zinc/11/35/55/324113555.db2.gz YLICRIINXOZXDN-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP Cc1ccc(CCC[N@H+](C)Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000581404244 324113559 /nfs/dbraw/zinc/11/35/59/324113559.db2.gz YLICRIINXOZXDN-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000581409490 324114393 /nfs/dbraw/zinc/11/43/93/324114393.db2.gz UTQZOGPUFCVYFD-IEBWSBKVSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000581409490 324114395 /nfs/dbraw/zinc/11/43/95/324114395.db2.gz UTQZOGPUFCVYFD-IEBWSBKVSA-N 2 2 304.478 3.127 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc2ccccc2o1 ZINC000581878648 324162736 /nfs/dbraw/zinc/16/27/36/324162736.db2.gz WCVUDONXGRYSEW-CQSZACIVSA-N 2 2 322.412 3.411 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@@H](c4ccncc4)C3)c[nH+]c12 ZINC000582102853 324189427 /nfs/dbraw/zinc/18/94/27/324189427.db2.gz LXRRHFIUNFPJFL-SJLPKXTDSA-N 2 2 322.412 3.048 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)c[nH+]c12 ZINC000582102851 324189564 /nfs/dbraw/zinc/18/95/64/324189564.db2.gz LXRRHFIUNFPJFL-AEFFLSMTSA-N 2 2 322.412 3.048 20 0 DGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000582368758 324222656 /nfs/dbraw/zinc/22/26/56/324222656.db2.gz QOSOQTOYNONJJT-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000582368758 324222660 /nfs/dbraw/zinc/22/26/60/324222660.db2.gz QOSOQTOYNONJJT-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000582453697 324230526 /nfs/dbraw/zinc/23/05/26/324230526.db2.gz WWGMBNUMWVICTI-ROUUACIJSA-N 2 2 318.461 3.424 20 0 DGADLP CCC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000582554088 324245231 /nfs/dbraw/zinc/24/52/31/324245231.db2.gz BQRLWDDKSJMAMF-MRXNPFEDSA-N 2 2 303.450 3.134 20 0 DGADLP CCC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000582554088 324245235 /nfs/dbraw/zinc/24/52/35/324245235.db2.gz BQRLWDDKSJMAMF-MRXNPFEDSA-N 2 2 303.450 3.134 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554531 324245874 /nfs/dbraw/zinc/24/58/74/324245874.db2.gz OWIUTIUJYKNQNO-MNOVXSKESA-N 2 2 323.412 3.400 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554531 324245879 /nfs/dbraw/zinc/24/58/79/324245879.db2.gz OWIUTIUJYKNQNO-MNOVXSKESA-N 2 2 323.412 3.400 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3(O)CCC(C)(C)CC3)n2c1 ZINC000582916981 324291290 /nfs/dbraw/zinc/29/12/90/324291290.db2.gz ZELXHGURLZVUIO-UHFFFAOYSA-N 2 2 301.434 3.064 20 0 DGADLP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000583198134 324325610 /nfs/dbraw/zinc/32/56/10/324325610.db2.gz ICTDXRMXVFFQIN-OALUTQOASA-N 3 2 315.505 3.148 20 0 DGADLP Cc1cnccc1CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000583627797 324376824 /nfs/dbraw/zinc/37/68/24/324376824.db2.gz APXQDFWPHVATKL-UHFFFAOYSA-N 2 2 311.429 3.179 20 0 DGADLP Cc1c(Br)cccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428992495 533711574 /nfs/dbraw/zinc/71/15/74/533711574.db2.gz LZSMWLMACYDJCL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1c(Br)cccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428992495 533711584 /nfs/dbraw/zinc/71/15/84/533711584.db2.gz LZSMWLMACYDJCL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428992495 533711592 /nfs/dbraw/zinc/71/15/92/533711592.db2.gz LZSMWLMACYDJCL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428992495 533711599 /nfs/dbraw/zinc/71/15/99/533711599.db2.gz LZSMWLMACYDJCL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP CCc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423229921 500747649 /nfs/dbraw/zinc/74/76/49/500747649.db2.gz IGWSSFSXPMOWTO-OAHLLOKOSA-N 2 2 310.445 3.227 20 0 DGADLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000435375292 533793874 /nfs/dbraw/zinc/79/38/74/533793874.db2.gz LNNLGNJGNYFTGG-OAHLLOKOSA-N 2 2 314.429 3.053 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000435375292 533793881 /nfs/dbraw/zinc/79/38/81/533793881.db2.gz LNNLGNJGNYFTGG-OAHLLOKOSA-N 2 2 314.429 3.053 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000159286869 534068248 /nfs/dbraw/zinc/06/82/48/534068248.db2.gz JXGJMGQDODCZHL-CYBMUJFWSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000159286869 534068253 /nfs/dbraw/zinc/06/82/53/534068253.db2.gz JXGJMGQDODCZHL-CYBMUJFWSA-N 2 2 323.278 3.331 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430656319 534090266 /nfs/dbraw/zinc/09/02/66/534090266.db2.gz SYAWKIBYGQGHHF-YOEHRIQHSA-N 2 2 309.413 3.033 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000430656319 534090276 /nfs/dbraw/zinc/09/02/76/534090276.db2.gz SYAWKIBYGQGHHF-YOEHRIQHSA-N 2 2 309.413 3.033 20 0 DGADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)cc1Br ZINC000415101947 534202536 /nfs/dbraw/zinc/20/25/36/534202536.db2.gz IMZWEUHHYUFVTL-GWCFXTLKSA-N 2 2 315.230 3.208 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000443605190 534366278 /nfs/dbraw/zinc/36/62/78/534366278.db2.gz PMANLINRWIDRRM-CQSZACIVSA-N 2 2 302.447 3.089 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000443605190 534366286 /nfs/dbraw/zinc/36/62/86/534366286.db2.gz PMANLINRWIDRRM-CQSZACIVSA-N 2 2 302.447 3.089 20 0 DGADLP O[C@@H](C[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743831 534405126 /nfs/dbraw/zinc/40/51/26/534405126.db2.gz UEMWMFGECCPZCF-CVEARBPZSA-N 2 2 319.474 3.313 20 0 DGADLP O[C@@H](C[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743831 534405133 /nfs/dbraw/zinc/40/51/33/534405133.db2.gz UEMWMFGECCPZCF-CVEARBPZSA-N 2 2 319.474 3.313 20 0 DGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000428855036 534420130 /nfs/dbraw/zinc/42/01/30/534420130.db2.gz DHVLLFZRFNSSLF-VIFPVBQESA-N 2 2 301.337 3.068 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)CCC2CC[NH2+]CC2)[nH+]1 ZINC000423778098 534520244 /nfs/dbraw/zinc/52/02/44/534520244.db2.gz SUFJHFPWPREYSQ-UHFFFAOYSA-N 2 2 312.417 3.103 20 0 DGADLP Fc1ccccc1-c1csc(C[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000415108884 534530869 /nfs/dbraw/zinc/53/08/69/534530869.db2.gz QUEYLRKWRPIQII-GFCCVEGCSA-N 2 2 305.422 3.038 20 0 DGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000434661836 534567742 /nfs/dbraw/zinc/56/77/42/534567742.db2.gz KBXMRTOBYHUOKN-UHFFFAOYSA-N 2 2 309.385 3.011 20 0 DGADLP Cc1cnccc1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000294850293 534708508 /nfs/dbraw/zinc/70/85/08/534708508.db2.gz UYXQTJIXLMWWSM-UHFFFAOYSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1cnccc1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000294850293 534708511 /nfs/dbraw/zinc/70/85/11/534708511.db2.gz UYXQTJIXLMWWSM-UHFFFAOYSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1C ZINC000431068404 534765407 /nfs/dbraw/zinc/76/54/07/534765407.db2.gz SSHUEUNHSIQIRK-OAHLLOKOSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1C ZINC000431068404 534765413 /nfs/dbraw/zinc/76/54/13/534765413.db2.gz SSHUEUNHSIQIRK-OAHLLOKOSA-N 2 2 314.433 3.217 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)OCO2 ZINC000162916339 525336873 /nfs/dbraw/zinc/33/68/73/525336873.db2.gz QUHVGQBYZUHFHT-AWEZNQCLSA-N 2 2 313.401 3.353 20 0 DGADLP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158262256 525627410 /nfs/dbraw/zinc/62/74/10/525627410.db2.gz RTZXFGOYGNXTMA-VQIMIIECSA-N 2 2 321.424 3.127 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000415079601 526331793 /nfs/dbraw/zinc/33/17/93/526331793.db2.gz IMEOXDHESKYSEN-UHFFFAOYSA-N 2 2 317.408 3.491 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309689544 527019505 /nfs/dbraw/zinc/01/95/05/527019505.db2.gz VTRPKEUWQURTAX-GOSISDBHSA-N 2 2 304.478 3.039 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309689544 527019513 /nfs/dbraw/zinc/01/95/13/527019513.db2.gz VTRPKEUWQURTAX-GOSISDBHSA-N 2 2 304.478 3.039 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccn1 ZINC000294822608 527169447 /nfs/dbraw/zinc/16/94/47/527169447.db2.gz PCOYWVATONHKAO-UHFFFAOYSA-N 2 2 324.472 3.008 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000415050443 527793155 /nfs/dbraw/zinc/79/31/55/527793155.db2.gz YSLJWVHSMGXXJO-LBPRGKRZSA-N 2 2 304.768 3.172 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726909 527838086 /nfs/dbraw/zinc/83/80/86/527838086.db2.gz GZTIFDQJTJTJNL-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726909 527838092 /nfs/dbraw/zinc/83/80/92/527838092.db2.gz GZTIFDQJTJTJNL-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726909 527838097 /nfs/dbraw/zinc/83/80/97/527838097.db2.gz GZTIFDQJTJTJNL-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726909 527838101 /nfs/dbraw/zinc/83/81/01/527838101.db2.gz GZTIFDQJTJTJNL-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430584500 528199416 /nfs/dbraw/zinc/19/94/16/528199416.db2.gz ZKKFJXHFQHKYGG-JYJNAYRXSA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430584500 528199423 /nfs/dbraw/zinc/19/94/23/528199423.db2.gz ZKKFJXHFQHKYGG-JYJNAYRXSA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)c1nc(N(C)C[C@H]2CC[N@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434074877 528291265 /nfs/dbraw/zinc/29/12/65/528291265.db2.gz JXEICFQCTACXTB-AWEZNQCLSA-N 2 2 304.482 3.285 20 0 DGADLP CC(C)c1nc(N(C)C[C@H]2CC[N@@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434074877 528291270 /nfs/dbraw/zinc/29/12/70/528291270.db2.gz JXEICFQCTACXTB-AWEZNQCLSA-N 2 2 304.482 3.285 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435623811 528410326 /nfs/dbraw/zinc/41/03/26/528410326.db2.gz DKBRMEJNPAPUNA-SFHVURJKSA-N 2 2 318.461 3.252 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435623811 528410331 /nfs/dbraw/zinc/41/03/31/528410331.db2.gz DKBRMEJNPAPUNA-SFHVURJKSA-N 2 2 318.461 3.252 20 0 DGADLP CCOc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000444566334 528618564 /nfs/dbraw/zinc/61/85/64/528618564.db2.gz CQMWBSUQCOTTRD-UHFFFAOYSA-N 2 2 302.462 3.319 20 0 DGADLP CCOc1ccc2c(c1)CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000444566334 528618575 /nfs/dbraw/zinc/61/85/75/528618575.db2.gz CQMWBSUQCOTTRD-UHFFFAOYSA-N 2 2 302.462 3.319 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1OCC ZINC000415038415 528688051 /nfs/dbraw/zinc/68/80/51/528688051.db2.gz LVQSOTWBYRLOQZ-QGZVFWFLSA-N 2 2 306.450 3.104 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000428258662 528724229 /nfs/dbraw/zinc/72/42/29/528724229.db2.gz XEJHRCIUHMXYGT-MRXNPFEDSA-N 2 2 305.466 3.243 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000428258662 528724236 /nfs/dbraw/zinc/72/42/36/528724236.db2.gz XEJHRCIUHMXYGT-MRXNPFEDSA-N 2 2 305.466 3.243 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000309695459 528787750 /nfs/dbraw/zinc/78/77/50/528787750.db2.gz DVSNBHMKBMJRRL-NBYUQASBSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000309695459 528787755 /nfs/dbraw/zinc/78/77/55/528787755.db2.gz DVSNBHMKBMJRRL-NBYUQASBSA-N 2 2 316.489 3.443 20 0 DGADLP CCCn1nc(C)c(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)c1C ZINC000415069746 528877292 /nfs/dbraw/zinc/87/72/92/528877292.db2.gz TZZQYULUUCOMQS-IBGZPJMESA-N 2 2 314.477 3.262 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000430797585 529087262 /nfs/dbraw/zinc/08/72/62/529087262.db2.gz DZVSNHYLIKUJOT-MRXNPFEDSA-N 2 2 314.433 3.272 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000430807162 529087702 /nfs/dbraw/zinc/08/77/02/529087702.db2.gz OXQKBSVYVIMYFY-CYBMUJFWSA-N 2 2 300.406 3.026 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CCC[NH2+]C)c1 ZINC000430802847 529087828 /nfs/dbraw/zinc/08/78/28/529087828.db2.gz ORAHJUACNPMLGW-UHFFFAOYSA-N 2 2 314.433 3.288 20 0 DGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000493907978 536558918 /nfs/dbraw/zinc/55/89/18/536558918.db2.gz QDSQUSLCONFDKH-YLJYHZDGSA-N 2 2 312.457 3.484 20 0 DGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000493907978 536558928 /nfs/dbraw/zinc/55/89/28/536558928.db2.gz QDSQUSLCONFDKH-YLJYHZDGSA-N 2 2 312.457 3.484 20 0 DGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000493907967 536560263 /nfs/dbraw/zinc/56/02/63/536560263.db2.gz QDSQUSLCONFDKH-FXAWDEMLSA-N 2 2 312.457 3.484 20 0 DGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000493907967 536560266 /nfs/dbraw/zinc/56/02/66/536560266.db2.gz QDSQUSLCONFDKH-FXAWDEMLSA-N 2 2 312.457 3.484 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000090847397 545831557 /nfs/dbraw/zinc/83/15/57/545831557.db2.gz KJTCXZQDHKYXBM-SPLOXXLWSA-N 2 2 302.443 3.021 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000119495615 545880306 /nfs/dbraw/zinc/88/03/06/545880306.db2.gz XJWMPEXOHNGJFO-SJLPKXTDSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000119495615 545880313 /nfs/dbraw/zinc/88/03/13/545880313.db2.gz XJWMPEXOHNGJFO-SJLPKXTDSA-N 2 2 312.461 3.046 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3cccc(C)c3[nH+]1)CC2 ZINC000156304520 546033503 /nfs/dbraw/zinc/03/35/03/546033503.db2.gz MKUCGGIUFFVQRL-IBGZPJMESA-N 2 2 321.424 3.471 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@](C)(CO)C3CCCCC3)n2c1 ZINC000157062325 546038193 /nfs/dbraw/zinc/03/81/93/546038193.db2.gz ISFQXRDNGSJYPV-GOSISDBHSA-N 2 2 301.434 3.064 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690676 546042844 /nfs/dbraw/zinc/04/28/44/546042844.db2.gz MYMAJLJJRNDHEH-IAGOWNOFSA-N 2 2 318.461 3.229 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690676 546042849 /nfs/dbraw/zinc/04/28/49/546042849.db2.gz MYMAJLJJRNDHEH-IAGOWNOFSA-N 2 2 318.461 3.229 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000178311897 546128246 /nfs/dbraw/zinc/12/82/46/546128246.db2.gz WOUQSFNFBJVGGW-GFCCVEGCSA-N 2 2 302.340 3.332 20 0 DGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245846711 546299738 /nfs/dbraw/zinc/29/97/38/546299738.db2.gz LITKKHRVIGGIIR-IAGOWNOFSA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245846711 546299741 /nfs/dbraw/zinc/29/97/41/546299741.db2.gz LITKKHRVIGGIIR-IAGOWNOFSA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245846711 546299746 /nfs/dbraw/zinc/29/97/46/546299746.db2.gz LITKKHRVIGGIIR-IAGOWNOFSA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245846711 546299748 /nfs/dbraw/zinc/29/97/48/546299748.db2.gz LITKKHRVIGGIIR-IAGOWNOFSA-N 2 2 318.509 3.069 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)[C@H](C[NH3+])C1 ZINC000261599848 546337769 /nfs/dbraw/zinc/33/77/69/546337769.db2.gz UQIMAPSEKISJKY-OCCSQVGLSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)[C@H](C[NH3+])C1 ZINC000261599848 546337771 /nfs/dbraw/zinc/33/77/71/546337771.db2.gz UQIMAPSEKISJKY-OCCSQVGLSA-N 2 2 303.837 3.447 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000297990275 546432667 /nfs/dbraw/zinc/43/26/67/546432667.db2.gz YRWBJJVUBSVGQV-UHFFFAOYSA-N 2 2 324.403 3.372 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000297990275 546432670 /nfs/dbraw/zinc/43/26/70/546432670.db2.gz YRWBJJVUBSVGQV-UHFFFAOYSA-N 2 2 324.403 3.372 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000319644966 546465375 /nfs/dbraw/zinc/46/53/75/546465375.db2.gz QVDHQKRZVKUTGV-XLIONFOSSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000343081652 546561284 /nfs/dbraw/zinc/56/12/84/546561284.db2.gz BHQAJHGCGZUUPK-VQIMIIECSA-N 2 2 313.489 3.038 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000348401623 546590136 /nfs/dbraw/zinc/59/01/36/546590136.db2.gz DEVPNXHFKFZEHV-FQEVSTJZSA-N 2 2 312.457 3.154 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354421762 546674061 /nfs/dbraw/zinc/67/40/61/546674061.db2.gz SDMUARTWTXELSR-WLYUNCDWSA-N 2 2 324.431 3.302 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354421762 546674065 /nfs/dbraw/zinc/67/40/65/546674065.db2.gz SDMUARTWTXELSR-WLYUNCDWSA-N 2 2 324.431 3.302 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c[nH+]1 ZINC000354578851 546674568 /nfs/dbraw/zinc/67/45/68/546674568.db2.gz SWESFSWWEVASIA-OYHNWAKOSA-N 2 2 316.470 3.411 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832227 546752248 /nfs/dbraw/zinc/75/22/48/546752248.db2.gz ICBKWTWIHRQNFS-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832227 546752254 /nfs/dbraw/zinc/75/22/54/546752254.db2.gz ICBKWTWIHRQNFS-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000494493175 546935352 /nfs/dbraw/zinc/93/53/52/546935352.db2.gz MYQMRIRSDYTGJA-NXWXRZEISA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000494493175 546935357 /nfs/dbraw/zinc/93/53/57/546935357.db2.gz MYQMRIRSDYTGJA-NXWXRZEISA-N 2 2 302.462 3.369 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559767683 547001086 /nfs/dbraw/zinc/00/10/86/547001086.db2.gz ZGCWLPHYEDSKME-VAMGGRTRSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000559767683 547001088 /nfs/dbraw/zinc/00/10/88/547001088.db2.gz ZGCWLPHYEDSKME-VAMGGRTRSA-N 2 2 310.441 3.145 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(C)[nH+]1 ZINC000667119695 547097834 /nfs/dbraw/zinc/09/78/34/547097834.db2.gz ZYYQJPQXHBWJFE-CQSZACIVSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c(C)[nH+]1 ZINC000667119695 547097839 /nfs/dbraw/zinc/09/78/39/547097839.db2.gz ZYYQJPQXHBWJFE-CQSZACIVSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)n1C ZINC000667492764 547199368 /nfs/dbraw/zinc/19/93/68/547199368.db2.gz VHRJXGJMFSGFCV-UHFFFAOYSA-N 2 2 313.445 3.279 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)n1C ZINC000667545614 547219743 /nfs/dbraw/zinc/21/97/43/547219743.db2.gz DMLOTHPSICMMHW-UHFFFAOYSA-N 2 2 324.472 3.003 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000667560777 547226919 /nfs/dbraw/zinc/22/69/19/547226919.db2.gz BYMYUJQCPDKZHY-ZWKOTPCHSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000667560777 547226923 /nfs/dbraw/zinc/22/69/23/547226923.db2.gz BYMYUJQCPDKZHY-ZWKOTPCHSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000667560777 547226928 /nfs/dbraw/zinc/22/69/28/547226928.db2.gz BYMYUJQCPDKZHY-ZWKOTPCHSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000667560777 547226929 /nfs/dbraw/zinc/22/69/29/547226929.db2.gz BYMYUJQCPDKZHY-ZWKOTPCHSA-N 2 2 318.509 3.380 20 0 DGADLP CC1CCC(OC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)CC1 ZINC000667617508 547243404 /nfs/dbraw/zinc/24/34/04/547243404.db2.gz UEKCHRCYYJFVCE-UHFFFAOYSA-N 2 2 317.477 3.389 20 0 DGADLP COc1ccc(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667620733 547246154 /nfs/dbraw/zinc/24/61/54/547246154.db2.gz MRSYQZAYALUPEI-UHFFFAOYSA-N 2 2 311.429 3.218 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)n1C ZINC000667622539 547246997 /nfs/dbraw/zinc/24/69/97/547246997.db2.gz RZVIKZFYWJXJLH-UHFFFAOYSA-N 2 2 313.445 3.157 20 0 DGADLP Cc1[nH+]cc(C[N@H+](Cc2ccccc2)CC2CCOCC2)n1C ZINC000667622539 547247003 /nfs/dbraw/zinc/24/70/03/547247003.db2.gz RZVIKZFYWJXJLH-UHFFFAOYSA-N 2 2 313.445 3.157 20 0 DGADLP CCC1(CC)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCS1 ZINC000667994726 547356181 /nfs/dbraw/zinc/35/61/81/547356181.db2.gz NAYCMABNQRSDFG-UHFFFAOYSA-N 2 2 316.474 3.375 20 0 DGADLP c1cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668005282 547358632 /nfs/dbraw/zinc/35/86/32/547358632.db2.gz QYIBMABHBWLEBJ-UHFFFAOYSA-N 2 2 316.408 3.315 20 0 DGADLP c1cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668005282 547358635 /nfs/dbraw/zinc/35/86/35/547358635.db2.gz QYIBMABHBWLEBJ-UHFFFAOYSA-N 2 2 316.408 3.315 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000668011399 547360961 /nfs/dbraw/zinc/36/09/61/547360961.db2.gz AATJSNUGTBJONN-XUVXKRRUSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000668011399 547360966 /nfs/dbraw/zinc/36/09/66/547360966.db2.gz AATJSNUGTBJONN-XUVXKRRUSA-N 2 2 314.473 3.198 20 0 DGADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccncc1 ZINC000668191068 547409539 /nfs/dbraw/zinc/40/95/39/547409539.db2.gz WNBPDRMCYYXUHD-SFHVURJKSA-N 2 2 319.412 3.245 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccncc1 ZINC000668191068 547409541 /nfs/dbraw/zinc/40/95/41/547409541.db2.gz WNBPDRMCYYXUHD-SFHVURJKSA-N 2 2 319.412 3.245 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000668430906 547454046 /nfs/dbraw/zinc/45/40/46/547454046.db2.gz RBBJBCWPMOMLFK-QGZVFWFLSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000668430906 547454049 /nfs/dbraw/zinc/45/40/49/547454049.db2.gz RBBJBCWPMOMLFK-QGZVFWFLSA-N 2 2 302.462 3.017 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccnc2N2CCCC2)c[nH+]1 ZINC000668474170 547463738 /nfs/dbraw/zinc/46/37/38/547463738.db2.gz PZGFAIBZDFMDPR-UHFFFAOYSA-N 2 2 310.445 3.108 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)nn1C ZINC000669700391 547674470 /nfs/dbraw/zinc/67/44/70/547674470.db2.gz ZNCDNVPZXVTONE-YJBOKZPZSA-N 2 2 323.444 3.097 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000669702456 547675359 /nfs/dbraw/zinc/67/53/59/547675359.db2.gz XRUSQINZQWKESU-HZPDHXFCSA-N 2 2 315.461 3.394 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000670266402 547740989 /nfs/dbraw/zinc/74/09/89/547740989.db2.gz CGXFEQREEXSPAB-MRXNPFEDSA-N 2 2 304.478 3.291 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000671120649 547770987 /nfs/dbraw/zinc/77/09/87/547770987.db2.gz BPRJEMPVPUPABI-CRAIPNDOSA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000671120649 547770990 /nfs/dbraw/zinc/77/09/90/547770990.db2.gz BPRJEMPVPUPABI-CRAIPNDOSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671240654 547779284 /nfs/dbraw/zinc/77/92/84/547779284.db2.gz HFLIHJDILIBOBQ-HOCLYGCPSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671240654 547779287 /nfs/dbraw/zinc/77/92/87/547779287.db2.gz HFLIHJDILIBOBQ-HOCLYGCPSA-N 2 2 323.400 3.331 20 0 DGADLP CCc1nc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc(C)[nH+]1 ZINC000672225335 547865475 /nfs/dbraw/zinc/86/54/75/547865475.db2.gz WMVAWOKCNJETQR-MRXNPFEDSA-N 2 2 321.428 3.477 20 0 DGADLP CCc1nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000672224624 547865882 /nfs/dbraw/zinc/86/58/82/547865882.db2.gz STMDBJJEGKMYSR-KRWDZBQOSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1nc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000672224624 547865886 /nfs/dbraw/zinc/86/58/86/547865886.db2.gz STMDBJJEGKMYSR-KRWDZBQOSA-N 2 2 310.445 3.058 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000673701454 547984245 /nfs/dbraw/zinc/98/42/45/547984245.db2.gz YBNWIGWCYXPRKO-YJBOKZPZSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000673701454 547984247 /nfs/dbraw/zinc/98/42/47/547984247.db2.gz YBNWIGWCYXPRKO-YJBOKZPZSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000673701453 547984406 /nfs/dbraw/zinc/98/44/06/547984406.db2.gz YBNWIGWCYXPRKO-QAPCUYQASA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000673701453 547984412 /nfs/dbraw/zinc/98/44/12/547984412.db2.gz YBNWIGWCYXPRKO-QAPCUYQASA-N 2 2 320.440 3.316 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCN(c4ccccc4)C3)[nH+]c12 ZINC000674882130 548129601 /nfs/dbraw/zinc/12/96/01/548129601.db2.gz YUTGJDOLGABNEM-QGZVFWFLSA-N 2 2 320.440 3.054 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCCS1 ZINC000675155318 548161803 /nfs/dbraw/zinc/16/18/03/548161803.db2.gz LOIZSYNFALBOFH-INIZCTEOSA-N 2 2 305.422 3.387 20 0 DGADLP Cc1cccn2cc(CCNc3cc[nH+]c(C)c3Cl)[nH+]c12 ZINC000675282202 548182154 /nfs/dbraw/zinc/18/21/54/548182154.db2.gz VYQHHPAOYMHXBH-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767946 548267302 /nfs/dbraw/zinc/26/73/02/548267302.db2.gz UYSCSHUXNXPNDM-OCCSQVGLSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767946 548267304 /nfs/dbraw/zinc/26/73/04/548267304.db2.gz UYSCSHUXNXPNDM-OCCSQVGLSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768017 548267497 /nfs/dbraw/zinc/26/74/97/548267497.db2.gz VMQXIHUVQBIAQW-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768017 548267500 /nfs/dbraw/zinc/26/75/00/548267500.db2.gz VMQXIHUVQBIAQW-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787662 548271302 /nfs/dbraw/zinc/27/13/02/548271302.db2.gz FKOVBHZYBALARK-KPZWWZAWSA-N 2 2 317.864 3.436 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787662 548271306 /nfs/dbraw/zinc/27/13/06/548271306.db2.gz FKOVBHZYBALARK-KPZWWZAWSA-N 2 2 317.864 3.436 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675899047 548288559 /nfs/dbraw/zinc/28/85/59/548288559.db2.gz BRGYDPRVSYNEFJ-IBGZPJMESA-N 2 2 312.461 3.088 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000675929560 548294458 /nfs/dbraw/zinc/29/44/58/548294458.db2.gz PKARPIYQUXEXNX-INIZCTEOSA-N 2 2 320.477 3.237 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677748982 548549565 /nfs/dbraw/zinc/54/95/65/548549565.db2.gz FKCWESGXOYSLHH-MJGOQNOKSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677748982 548549570 /nfs/dbraw/zinc/54/95/70/548549570.db2.gz FKCWESGXOYSLHH-MJGOQNOKSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806776 548558654 /nfs/dbraw/zinc/55/86/54/548558654.db2.gz NUCTZESXITZKBC-BHIYHBOVSA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806776 548558659 /nfs/dbraw/zinc/55/86/59/548558659.db2.gz NUCTZESXITZKBC-BHIYHBOVSA-N 2 2 318.505 3.426 20 0 DGADLP COc1ccc[nH+]c1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000677852931 548566174 /nfs/dbraw/zinc/56/61/74/548566174.db2.gz NRHUCHDGHDEYRC-UHFFFAOYSA-N 2 2 315.417 3.033 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000677889002 548574246 /nfs/dbraw/zinc/57/42/46/548574246.db2.gz RRFLZHJXKCLXFY-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000677889002 548574251 /nfs/dbraw/zinc/57/42/51/548574251.db2.gz RRFLZHJXKCLXFY-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678234428 548649494 /nfs/dbraw/zinc/64/94/94/548649494.db2.gz DPBRULTWWOXGHK-HNNXBMFYSA-N 2 2 311.389 3.012 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678234428 548649498 /nfs/dbraw/zinc/64/94/98/548649498.db2.gz DPBRULTWWOXGHK-HNNXBMFYSA-N 2 2 311.389 3.012 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000678497381 548716496 /nfs/dbraw/zinc/71/64/96/548716496.db2.gz CCAXTSYRQUQEMF-VHBXLISGSA-N 2 2 316.489 3.323 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678497381 548716497 /nfs/dbraw/zinc/71/64/97/548716497.db2.gz CCAXTSYRQUQEMF-VHBXLISGSA-N 2 2 316.489 3.323 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000678497729 548716796 /nfs/dbraw/zinc/71/67/96/548716796.db2.gz JFKTWQOHYWYICN-OTBHMBEGSA-N 2 2 316.489 3.180 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000678497729 548716800 /nfs/dbraw/zinc/71/68/00/548716800.db2.gz JFKTWQOHYWYICN-OTBHMBEGSA-N 2 2 316.489 3.180 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678770285 548760548 /nfs/dbraw/zinc/76/05/48/548760548.db2.gz BQZXLDYIGAOCBK-KXBFYZLASA-N 2 2 302.462 3.010 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000678771749 548760629 /nfs/dbraw/zinc/76/06/29/548760629.db2.gz YWYYMKAMVFBBSM-OLMNPRSZSA-N 2 2 304.503 3.337 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000678922108 548792442 /nfs/dbraw/zinc/79/24/42/548792442.db2.gz JPDDERHVUCMJEG-MRXNPFEDSA-N 2 2 315.486 3.328 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000678922108 548792446 /nfs/dbraw/zinc/79/24/46/548792446.db2.gz JPDDERHVUCMJEG-MRXNPFEDSA-N 2 2 315.486 3.328 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927840 548794060 /nfs/dbraw/zinc/79/40/60/548794060.db2.gz LPUULQHOKYIPIC-FGTMMUONSA-N 2 2 306.494 3.188 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927840 548794061 /nfs/dbraw/zinc/79/40/61/548794061.db2.gz LPUULQHOKYIPIC-FGTMMUONSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000678929804 548794838 /nfs/dbraw/zinc/79/48/38/548794838.db2.gz NZVBICQEKKVKAR-HOJAQTOUSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000678929804 548794843 /nfs/dbraw/zinc/79/48/43/548794843.db2.gz NZVBICQEKKVKAR-HOJAQTOUSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1F ZINC000678945516 548799278 /nfs/dbraw/zinc/79/92/78/548799278.db2.gz OLLHNTYNRONVMU-ZFWWWQNUSA-N 2 2 324.415 3.259 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999532 548810367 /nfs/dbraw/zinc/81/03/67/548810367.db2.gz RWDCEFJVBVDXIG-KSZLIROESA-N 2 2 302.462 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999532 548810371 /nfs/dbraw/zinc/81/03/71/548810371.db2.gz RWDCEFJVBVDXIG-KSZLIROESA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000679042563 548821589 /nfs/dbraw/zinc/82/15/89/548821589.db2.gz PRQRSHKJCQCSJP-RULNRJAQSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000679042563 548821592 /nfs/dbraw/zinc/82/15/92/548821592.db2.gz PRQRSHKJCQCSJP-RULNRJAQSA-N 2 2 315.230 3.189 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)CC3 ZINC000679340236 548881538 /nfs/dbraw/zinc/88/15/38/548881538.db2.gz CEGYBZWBXNZHIR-IAGOWNOFSA-N 2 2 323.484 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)CC3 ZINC000679340236 548881541 /nfs/dbraw/zinc/88/15/41/548881541.db2.gz CEGYBZWBXNZHIR-IAGOWNOFSA-N 2 2 323.484 3.408 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679345744 548882530 /nfs/dbraw/zinc/88/25/30/548882530.db2.gz PCJVQFDBTRMISL-GUYCJALGSA-N 2 2 309.417 3.086 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000679347409 548883661 /nfs/dbraw/zinc/88/36/61/548883661.db2.gz XSYBYTRKZZGTRB-YZVOILCLSA-N 2 2 312.461 3.279 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000679347409 548883667 /nfs/dbraw/zinc/88/36/67/548883667.db2.gz XSYBYTRKZZGTRB-YZVOILCLSA-N 2 2 312.461 3.279 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CCCCO)c(C)c1 ZINC000679356801 548884799 /nfs/dbraw/zinc/88/47/99/548884799.db2.gz KEGYYRIODJRGMG-PKOBYXMFSA-N 2 2 315.461 3.382 20 0 DGADLP COC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000679484713 548903387 /nfs/dbraw/zinc/90/33/87/548903387.db2.gz VFKBKAGSYUQBML-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000679484713 548903390 /nfs/dbraw/zinc/90/33/90/548903390.db2.gz VFKBKAGSYUQBML-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP FC(F)O[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000679682121 548939493 /nfs/dbraw/zinc/93/94/93/548939493.db2.gz MKCGVILLCJRVJI-OAHLLOKOSA-N 2 2 307.344 3.076 20 0 DGADLP FC(F)O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000679682121 548939497 /nfs/dbraw/zinc/93/94/97/548939497.db2.gz MKCGVILLCJRVJI-OAHLLOKOSA-N 2 2 307.344 3.076 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000679998011 548977184 /nfs/dbraw/zinc/97/71/84/548977184.db2.gz PRBBPWWGKUJSPU-HZPDHXFCSA-N 2 2 301.459 3.189 20 0 DGADLP COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c[nH+]c3ccc(C)cn13)C2 ZINC000680135809 549002603 /nfs/dbraw/zinc/00/26/03/549002603.db2.gz KDUTZXNFJBFENE-QGZVFWFLSA-N 2 2 321.424 3.298 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000680465171 549055314 /nfs/dbraw/zinc/05/53/14/549055314.db2.gz MKITUOHVBQGRLW-HWWITLHISA-N 2 2 320.521 3.292 20 0 DGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000682074040 549284809 /nfs/dbraw/zinc/28/48/09/549284809.db2.gz CKBSOLAZIFCYDS-URLQWDBASA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000682074040 549284811 /nfs/dbraw/zinc/28/48/11/549284811.db2.gz CKBSOLAZIFCYDS-URLQWDBASA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074040 549284814 /nfs/dbraw/zinc/28/48/14/549284814.db2.gz CKBSOLAZIFCYDS-URLQWDBASA-N 2 2 314.477 3.103 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000682133927 549294347 /nfs/dbraw/zinc/29/43/47/549294347.db2.gz DWXGQZIWYUITJN-UYAOXDASSA-N 2 2 316.489 3.197 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000682995995 549410246 /nfs/dbraw/zinc/41/02/46/549410246.db2.gz HOINRAGAJCNTFR-NSHDSACASA-N 2 2 310.195 3.076 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000682995995 549410247 /nfs/dbraw/zinc/41/02/47/549410247.db2.gz HOINRAGAJCNTFR-NSHDSACASA-N 2 2 310.195 3.076 20 0 DGADLP Cc1ccnc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000683011023 549414468 /nfs/dbraw/zinc/41/44/68/549414468.db2.gz CVSOSUMMOPLREZ-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccnc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000683011023 549414471 /nfs/dbraw/zinc/41/44/71/549414471.db2.gz CVSOSUMMOPLREZ-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccnc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000683011023 549414474 /nfs/dbraw/zinc/41/44/74/549414474.db2.gz CVSOSUMMOPLREZ-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccnc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000683011023 549414477 /nfs/dbraw/zinc/41/44/77/549414477.db2.gz CVSOSUMMOPLREZ-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1[nH+]ccc(NCc2cc(-n3cc[nH+]c3)cs2)c1Cl ZINC000683071265 549425820 /nfs/dbraw/zinc/42/58/20/549425820.db2.gz SDNYFAIUKCCNBZ-UHFFFAOYSA-N 2 2 304.806 3.325 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000683693786 549521077 /nfs/dbraw/zinc/52/10/77/549521077.db2.gz DANNNUBOSFWIFF-SJLPKXTDSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000683693786 549521080 /nfs/dbraw/zinc/52/10/80/549521080.db2.gz DANNNUBOSFWIFF-SJLPKXTDSA-N 2 2 304.865 3.414 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000684110781 549581006 /nfs/dbraw/zinc/58/10/06/549581006.db2.gz AYVVOUVNPKIXQQ-CRAIPNDOSA-N 2 2 302.462 3.263 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000684110781 549581009 /nfs/dbraw/zinc/58/10/09/549581009.db2.gz AYVVOUVNPKIXQQ-CRAIPNDOSA-N 2 2 302.462 3.263 20 0 DGADLP CC(C)Sc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000684362667 549618493 /nfs/dbraw/zinc/61/84/93/549618493.db2.gz VNKHEEDTBOGDPA-BETUJISGSA-N 2 2 310.894 3.492 20 0 DGADLP CC(C)Sc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000684362667 549618496 /nfs/dbraw/zinc/61/84/96/549618496.db2.gz VNKHEEDTBOGDPA-BETUJISGSA-N 2 2 310.894 3.492 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000684362983 549618793 /nfs/dbraw/zinc/61/87/93/549618793.db2.gz ZQAJIGDJRUXAHB-SJLPKXTDSA-N 2 2 317.477 3.116 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1 ZINC000684366202 549619446 /nfs/dbraw/zinc/61/94/46/549619446.db2.gz MKFFGWIJJISGIK-CVEARBPZSA-N 2 2 301.434 3.282 20 0 DGADLP CC(C)n1nccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684381175 549624366 /nfs/dbraw/zinc/62/43/66/549624366.db2.gz CXAQKSVZBRFPKJ-SFHVURJKSA-N 2 2 323.444 3.271 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000684387225 549626122 /nfs/dbraw/zinc/62/61/22/549626122.db2.gz CQCJLYRQWWJELB-ZYSHUDEJSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1ccc(CNc2cc[nH+]c(C)c2Cl)c(N2CCCC2)[nH+]1 ZINC000684891119 549712290 /nfs/dbraw/zinc/71/22/90/549712290.db2.gz UBOSVDBIGLSUHQ-UHFFFAOYSA-N 2 2 316.836 3.381 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684954881 549724628 /nfs/dbraw/zinc/72/46/28/549724628.db2.gz DWMQYOWBPQUVGX-CEXWTWQISA-N 2 2 313.489 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684954881 549724629 /nfs/dbraw/zinc/72/46/29/549724629.db2.gz DWMQYOWBPQUVGX-CEXWTWQISA-N 2 2 313.489 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684954889 549724967 /nfs/dbraw/zinc/72/49/67/549724967.db2.gz DWMQYOWBPQUVGX-GUDVDZBRSA-N 2 2 313.489 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684954889 549724972 /nfs/dbraw/zinc/72/49/72/549724972.db2.gz DWMQYOWBPQUVGX-GUDVDZBRSA-N 2 2 313.489 3.490 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000685462954 549764816 /nfs/dbraw/zinc/76/48/16/549764816.db2.gz RVVJRIGYSZHXGV-MPRQEMDOSA-N 2 2 318.464 3.435 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000685462954 549764821 /nfs/dbraw/zinc/76/48/21/549764821.db2.gz RVVJRIGYSZHXGV-MPRQEMDOSA-N 2 2 318.464 3.435 20 0 DGADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561719 549773803 /nfs/dbraw/zinc/77/38/03/549773803.db2.gz AYICWTYXUKRMMM-WBVHZDCISA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561719 549773805 /nfs/dbraw/zinc/77/38/05/549773805.db2.gz AYICWTYXUKRMMM-WBVHZDCISA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561719 549773807 /nfs/dbraw/zinc/77/38/07/549773807.db2.gz AYICWTYXUKRMMM-WBVHZDCISA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561719 549773811 /nfs/dbraw/zinc/77/38/11/549773811.db2.gz AYICWTYXUKRMMM-WBVHZDCISA-N 2 2 308.466 3.206 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000685613819 549781190 /nfs/dbraw/zinc/78/11/90/549781190.db2.gz BILDCXLNQVRQNZ-VSKPTYQZSA-N 2 2 310.388 3.375 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000685613819 549781191 /nfs/dbraw/zinc/78/11/91/549781191.db2.gz BILDCXLNQVRQNZ-VSKPTYQZSA-N 2 2 310.388 3.375 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000731895712 574561284 /nfs/dbraw/zinc/56/12/84/574561284.db2.gz XHZDMWZRIVFGSA-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000731895712 574561285 /nfs/dbraw/zinc/56/12/85/574561285.db2.gz XHZDMWZRIVFGSA-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)c[nH+]1 ZINC000735324386 574698437 /nfs/dbraw/zinc/69/84/37/574698437.db2.gz QRFXLTJFBQUANZ-UHFFFAOYSA-N 2 2 303.409 3.377 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378808 574993933 /nfs/dbraw/zinc/99/39/33/574993933.db2.gz ZFYFIUYPYZFTQQ-NVXWUHKLSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@H](C[NH2+]Cc1ccccc1N1CCCCC1)Cn1cc[nH+]c1 ZINC000742718577 575014587 /nfs/dbraw/zinc/01/45/87/575014587.db2.gz PTQQUPHCMWEWFT-QGZVFWFLSA-N 2 2 312.461 3.299 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000743871904 575067406 /nfs/dbraw/zinc/06/74/06/575067406.db2.gz BCPKPBIMYVCGCU-JZXOWHBKSA-N 2 2 320.477 3.072 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000743871904 575067407 /nfs/dbraw/zinc/06/74/07/575067407.db2.gz BCPKPBIMYVCGCU-JZXOWHBKSA-N 2 2 320.477 3.072 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543730 575255676 /nfs/dbraw/zinc/25/56/76/575255676.db2.gz OSYKUUJXNKBMSJ-GDBMZVCRSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543730 575255679 /nfs/dbraw/zinc/25/56/79/575255679.db2.gz OSYKUUJXNKBMSJ-GDBMZVCRSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746463195 575454311 /nfs/dbraw/zinc/45/43/11/575454311.db2.gz KBUIQJKHAGROLQ-CQSZACIVSA-N 2 2 303.475 3.247 20 0 DGADLP C[C@@H](CCc1ccccc1)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000750837844 575754830 /nfs/dbraw/zinc/75/48/30/575754830.db2.gz DZJMMCLGKDMGGO-HOTGVXAUSA-N 2 2 317.502 3.117 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310280722 575930807 /nfs/dbraw/zinc/93/08/07/575930807.db2.gz WFTCLVDGRABQNM-OKZBNKHCSA-N 2 2 323.440 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000310280722 575930810 /nfs/dbraw/zinc/93/08/10/575930810.db2.gz WFTCLVDGRABQNM-OKZBNKHCSA-N 2 2 323.440 3.413 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000398042642 575960029 /nfs/dbraw/zinc/96/00/29/575960029.db2.gz TXZCSIPCXDTWLG-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000398042642 575960032 /nfs/dbraw/zinc/96/00/32/575960032.db2.gz TXZCSIPCXDTWLG-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1cc2[nH+]cn(CN3CCC[N@@H+](C(C)C)CC3)c2cc1C ZINC000727826085 576147162 /nfs/dbraw/zinc/14/71/62/576147162.db2.gz KMIWLEXHNRYLSN-UHFFFAOYSA-N 2 2 300.450 3.027 20 0 DGADLP Cc1cc2[nH+]cn(CN3CCC[N@H+](C(C)C)CC3)c2cc1C ZINC000727826085 576147163 /nfs/dbraw/zinc/14/71/63/576147163.db2.gz KMIWLEXHNRYLSN-UHFFFAOYSA-N 2 2 300.450 3.027 20 0 DGADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728404 620643190 /nfs/dbraw/zinc/64/31/90/620643190.db2.gz BKMFUKMAVXEYFH-IRXDYDNUSA-N 2 2 321.852 3.274 20 0 DGADLP c1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)CCCO2 ZINC000891569516 617839025 /nfs/dbraw/zinc/83/90/25/617839025.db2.gz XCRRXKHKSDUKBN-UHFFFAOYSA-N 2 2 314.473 3.462 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000891847428 617910934 /nfs/dbraw/zinc/91/09/34/617910934.db2.gz YOWYFOBNFFJXSJ-UHFFFAOYSA-N 2 2 301.438 3.184 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000891920472 617926761 /nfs/dbraw/zinc/92/67/61/617926761.db2.gz CHLNJWVGTAFZKG-MRXNPFEDSA-N 2 2 306.450 3.376 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000891920472 617926763 /nfs/dbraw/zinc/92/67/63/617926763.db2.gz CHLNJWVGTAFZKG-MRXNPFEDSA-N 2 2 306.450 3.376 20 0 DGADLP C[C@@H]1CN(c2ccc([NH2+]CC3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000892352210 618040007 /nfs/dbraw/zinc/04/00/07/618040007.db2.gz GMSZGEVPSQEMKL-IYBDPMFKSA-N 2 2 317.477 3.054 20 0 DGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926556575 618047853 /nfs/dbraw/zinc/04/78/53/618047853.db2.gz YGWWGRARZZDGBP-SJLPKXTDSA-N 2 2 301.478 3.257 20 0 DGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926556575 618047859 /nfs/dbraw/zinc/04/78/59/618047859.db2.gz YGWWGRARZZDGBP-SJLPKXTDSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H](NCC1([NH+](C)C)CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000924560102 618093726 /nfs/dbraw/zinc/09/37/26/618093726.db2.gz PJXYXTWFIOKPDW-OAHLLOKOSA-N 2 2 304.482 3.135 20 0 DGADLP CCc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924575792 618107663 /nfs/dbraw/zinc/10/76/63/618107663.db2.gz NMESSLSMSLXEQE-HXUWFJFHSA-N 2 2 309.457 3.417 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000892565255 618109611 /nfs/dbraw/zinc/10/96/11/618109611.db2.gz FOGAENUMMMBAKX-LBPRGKRZSA-N 2 2 313.323 3.003 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000926753562 618109711 /nfs/dbraw/zinc/10/97/11/618109711.db2.gz NSWGNBRVXDPRFC-SJORKVTESA-N 2 2 301.478 3.274 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000926753562 618109712 /nfs/dbraw/zinc/10/97/12/618109712.db2.gz NSWGNBRVXDPRFC-SJORKVTESA-N 2 2 301.478 3.274 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926790292 618130536 /nfs/dbraw/zinc/13/05/36/618130536.db2.gz HONGECSIYRKPNW-RBUKOAKNSA-N 3 2 307.526 3.103 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926790292 618130539 /nfs/dbraw/zinc/13/05/39/618130539.db2.gz HONGECSIYRKPNW-RBUKOAKNSA-N 3 2 307.526 3.103 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[nH+]c1 ZINC000925477050 620782885 /nfs/dbraw/zinc/78/28/85/620782885.db2.gz KVWAIJPPPNPRIY-ZWKOTPCHSA-N 3 2 316.493 3.032 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925069962 618310307 /nfs/dbraw/zinc/31/03/07/618310307.db2.gz IJENDELGRLXNPY-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925069962 618310313 /nfs/dbraw/zinc/31/03/13/618310313.db2.gz IJENDELGRLXNPY-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000893098515 618423902 /nfs/dbraw/zinc/42/39/02/618423902.db2.gz PTPVAMQEXOBIQS-RDJZCZTQSA-N 2 2 314.429 3.431 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000893098515 618423905 /nfs/dbraw/zinc/42/39/05/618423905.db2.gz PTPVAMQEXOBIQS-RDJZCZTQSA-N 2 2 314.429 3.431 20 0 DGADLP COc1ccc2[nH+]cc(Cl)c(N3CC[C@H](C[NH+](C)C)C3)c2c1 ZINC000893118209 618433096 /nfs/dbraw/zinc/43/30/96/618433096.db2.gz BPPGPLPPKNMRSR-GFCCVEGCSA-N 2 2 319.836 3.285 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1 ZINC000925528817 618471686 /nfs/dbraw/zinc/47/16/86/618471686.db2.gz AYTCNXVPEIZUSL-YVEFUNNKSA-N 2 2 306.356 3.022 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1ccccc1 ZINC000925616349 618510299 /nfs/dbraw/zinc/51/02/99/618510299.db2.gz RGZLWCOEBPRQIJ-LGWLGOQQSA-N 2 2 304.459 3.238 20 0 DGADLP c1cn(C2CC2)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000893331183 618518519 /nfs/dbraw/zinc/51/85/19/618518519.db2.gz NAWQBTNVIAGMAV-UHFFFAOYSA-N 2 2 310.445 3.104 20 0 DGADLP COC1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895110257 618539009 /nfs/dbraw/zinc/53/90/09/618539009.db2.gz GAGIXBINLUYZPG-OJHJNGDYSA-N 2 2 303.450 3.116 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ncc(Cl)s2)c2cccc[nH+]2)CC1 ZINC000895110502 618539664 /nfs/dbraw/zinc/53/96/64/618539664.db2.gz NQDXCBMMEAZTBZ-HAQNSBGRSA-N 2 2 322.865 3.468 20 0 DGADLP CC[C@H](C)[C@H](CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)OC ZINC000895111834 618540413 /nfs/dbraw/zinc/54/04/13/618540413.db2.gz LRFDCTQWYTYOJM-QAETUUGQSA-N 2 2 305.466 3.219 20 0 DGADLP COCC1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895113243 618540478 /nfs/dbraw/zinc/54/04/78/618540478.db2.gz VVSCOWLADHDYQY-QXINMDOSSA-N 2 2 317.477 3.363 20 0 DGADLP Cc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000895135873 618548672 /nfs/dbraw/zinc/54/86/72/618548672.db2.gz ASVCAXSNSINBCY-HNNXBMFYSA-N 2 2 323.444 3.163 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893487949 618570142 /nfs/dbraw/zinc/57/01/42/618570142.db2.gz OVBXJMDDVVYXND-LSDHHAIUSA-N 2 2 306.450 3.421 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893487949 618570145 /nfs/dbraw/zinc/57/01/45/618570145.db2.gz OVBXJMDDVVYXND-LSDHHAIUSA-N 2 2 306.450 3.421 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(CCc2ccccc2)s1)[NH+](C)C ZINC000895292065 618588718 /nfs/dbraw/zinc/58/87/18/618588718.db2.gz DEISXJQKGSOYFL-HNNXBMFYSA-N 2 2 317.502 3.358 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925776571 618616133 /nfs/dbraw/zinc/61/61/33/618616133.db2.gz MAVPBJUVMXHENA-XHDPSFHLSA-N 2 2 318.358 3.496 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925777240 618616438 /nfs/dbraw/zinc/61/64/38/618616438.db2.gz CRRMDXNQIMJOIM-IINYFYTJSA-N 2 2 304.331 3.250 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000925783350 618619262 /nfs/dbraw/zinc/61/92/62/618619262.db2.gz NISVZWUWGDFJCP-KMUNFCNLSA-N 2 2 309.251 3.098 20 0 DGADLP CCC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccsc1 ZINC000925790497 618620374 /nfs/dbraw/zinc/62/03/74/618620374.db2.gz HDFWCWDWCJVQQW-HZPDHXFCSA-N 2 2 308.491 3.338 20 0 DGADLP CCC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccsc1 ZINC000925790498 618620407 /nfs/dbraw/zinc/62/04/07/618620407.db2.gz HDFWCWDWCJVQQW-JKSUJKDBSA-N 2 2 308.491 3.338 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c(C)c1 ZINC000925793727 618621194 /nfs/dbraw/zinc/62/11/94/618621194.db2.gz IUTKGRFVFUHBHM-IRXDYDNUSA-N 2 2 302.462 3.113 20 0 DGADLP CSC1(CNc2cc(C)[nH+]c(C3CCC3)n2)CC[NH+](C)CC1 ZINC000893911057 618675029 /nfs/dbraw/zinc/67/50/29/618675029.db2.gz NBUPCPHVYVBSMD-UHFFFAOYSA-N 2 2 320.506 3.292 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049635 618699643 /nfs/dbraw/zinc/69/96/43/618699643.db2.gz IFVLPXLGNPCNDI-ZFWWWQNUSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049635 618699645 /nfs/dbraw/zinc/69/96/45/618699645.db2.gz IFVLPXLGNPCNDI-ZFWWWQNUSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049635 618699646 /nfs/dbraw/zinc/69/96/46/618699646.db2.gz IFVLPXLGNPCNDI-ZFWWWQNUSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049635 618699648 /nfs/dbraw/zinc/69/96/48/618699648.db2.gz IFVLPXLGNPCNDI-ZFWWWQNUSA-N 2 2 324.440 3.005 20 0 DGADLP C[C@@H]1CC2(CC([NH2+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)CO1 ZINC000924890378 618723841 /nfs/dbraw/zinc/72/38/41/618723841.db2.gz SERSSVAJEVMPPK-IUGDKWEMSA-N 2 2 317.477 3.043 20 0 DGADLP Cc1csc(CCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000924920243 618738897 /nfs/dbraw/zinc/73/88/97/618738897.db2.gz MKGXCYUSTGLEOR-HOTGVXAUSA-N 2 2 307.507 3.381 20 0 DGADLP Cc1csc(CCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000924920243 618738899 /nfs/dbraw/zinc/73/88/99/618738899.db2.gz MKGXCYUSTGLEOR-HOTGVXAUSA-N 2 2 307.507 3.381 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000894288616 618753074 /nfs/dbraw/zinc/75/30/74/618753074.db2.gz WDHPQLNOPIIKAL-CZUORRHYSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000894288616 618753075 /nfs/dbraw/zinc/75/30/75/618753075.db2.gz WDHPQLNOPIIKAL-CZUORRHYSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1noc2ncc(C[N@H+]3CCCC[C@H]3[C@H](C)C[NH+](C)C)cc12 ZINC000895381803 618776511 /nfs/dbraw/zinc/77/65/11/618776511.db2.gz WQCOZFYUYPXIDT-DYVFJYSZSA-N 2 2 316.449 3.083 20 0 DGADLP Cc1noc2ncc(C[N@@H+]3CCCC[C@H]3[C@H](C)C[NH+](C)C)cc12 ZINC000895381803 618776512 /nfs/dbraw/zinc/77/65/12/618776512.db2.gz WQCOZFYUYPXIDT-DYVFJYSZSA-N 2 2 316.449 3.083 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000895553454 618797941 /nfs/dbraw/zinc/79/79/41/618797941.db2.gz DFEIELNCAOLUAC-UHFFFAOYSA-N 2 2 303.450 3.018 20 0 DGADLP CCn1c[nH+]cc1CN1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000895553408 618798068 /nfs/dbraw/zinc/79/80/68/618798068.db2.gz AWNJTDOMEKPWGB-UHFFFAOYSA-N 2 2 304.482 3.134 20 0 DGADLP c1cn(C[C@H]([NH2+]CC2CCSCC2)c2ccccc2)c[nH+]1 ZINC000895707860 618819640 /nfs/dbraw/zinc/81/96/40/618819640.db2.gz WPEJFFZJTKSPPM-KRWDZBQOSA-N 2 2 301.459 3.357 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000895822576 618836036 /nfs/dbraw/zinc/83/60/36/618836036.db2.gz OLTQSYQGWQNABB-UHFFFAOYSA-N 2 2 305.491 3.471 20 0 DGADLP CCc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)nc(CC)[nH+]1 ZINC000895891033 618846465 /nfs/dbraw/zinc/84/64/65/618846465.db2.gz NZPRHTRDGAUIQD-MRXNPFEDSA-N 2 2 313.449 3.101 20 0 DGADLP Cc1nn(C)c(C[N@H+](C)CCCC[NH+]2CCCCC2)c1Cl ZINC000896028636 618864815 /nfs/dbraw/zinc/86/48/15/618864815.db2.gz UAJPKMISMPVEQT-UHFFFAOYSA-N 2 2 312.889 3.080 20 0 DGADLP Cc1nn(C)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1Cl ZINC000896028636 618864816 /nfs/dbraw/zinc/86/48/16/618864816.db2.gz UAJPKMISMPVEQT-UHFFFAOYSA-N 2 2 312.889 3.080 20 0 DGADLP CC[C@@H]1C[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCO1 ZINC000896194566 618885412 /nfs/dbraw/zinc/88/54/12/618885412.db2.gz DDTDLVZMWXXIRR-NVXWUHKLSA-N 2 2 303.450 3.163 20 0 DGADLP CC(C)O[C@@H](C[NH2+]Cc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000896299105 618897913 /nfs/dbraw/zinc/89/79/13/618897913.db2.gz RSXCFWFDSPTZGT-IBGZPJMESA-N 2 2 313.445 3.404 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccc(C[NH+](C)C)c1 ZINC000925170254 619064865 /nfs/dbraw/zinc/06/48/65/619064865.db2.gz LJLXJUBXDBJKFZ-YJBOKZPZSA-N 3 2 312.461 3.173 20 0 DGADLP C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc(-n2cc[nH+]c2)c1 ZINC000925184568 619069259 /nfs/dbraw/zinc/06/92/59/619069259.db2.gz SLXJCULLAQFMMH-SSSCAMEASA-N 2 2 311.429 3.481 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnnc1 ZINC000925230168 619086901 /nfs/dbraw/zinc/08/69/01/619086901.db2.gz UAYOOBNNYBZITF-TXPKVOOTSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnnc1 ZINC000925230168 619086904 /nfs/dbraw/zinc/08/69/04/619086904.db2.gz UAYOOBNNYBZITF-TXPKVOOTSA-N 2 2 310.445 3.180 20 0 DGADLP COc1c(Cl)cccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000897482284 619135035 /nfs/dbraw/zinc/13/50/35/619135035.db2.gz PFVBXSBDHBATQO-UHFFFAOYSA-N 2 2 305.809 3.099 20 0 DGADLP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000897653609 619171389 /nfs/dbraw/zinc/17/13/89/619171389.db2.gz ULTKRAHGYGLNFI-HNNXBMFYSA-N 2 2 323.868 3.213 20 0 DGADLP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)ccc1Cl ZINC000897653609 619171392 /nfs/dbraw/zinc/17/13/92/619171392.db2.gz ULTKRAHGYGLNFI-HNNXBMFYSA-N 2 2 323.868 3.213 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c2c(n1)CCCC2 ZINC000897978302 619202463 /nfs/dbraw/zinc/20/24/63/619202463.db2.gz NJNHAQGYUIXVOT-UHFFFAOYSA-N 2 2 313.489 3.375 20 0 DGADLP C[C@H]1Cc2cc(C[NH+]3CCC([NH2+]C4CCC4)CC3)ccc2O1 ZINC000897978276 619202597 /nfs/dbraw/zinc/20/25/97/619202597.db2.gz NFICDRKSTSATEV-AWEZNQCLSA-N 2 2 300.446 3.117 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981813 619203096 /nfs/dbraw/zinc/20/30/96/619203096.db2.gz RNNTWQYRDZLDLY-UHFFFAOYSA-N 2 2 311.429 3.047 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307825 619235901 /nfs/dbraw/zinc/23/59/01/619235901.db2.gz HZJAQNBHPFZILO-UHFFFAOYSA-N 2 2 308.514 3.275 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307825 619235902 /nfs/dbraw/zinc/23/59/02/619235902.db2.gz HZJAQNBHPFZILO-UHFFFAOYSA-N 2 2 308.514 3.275 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000924624015 619246929 /nfs/dbraw/zinc/24/69/29/619246929.db2.gz KITZVHYVUVAOLP-OAHLLOKOSA-N 2 2 322.412 3.186 20 0 DGADLP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924626480 619247960 /nfs/dbraw/zinc/24/79/60/619247960.db2.gz WBTFPMYJZIGTHU-RTBURBONSA-N 2 2 315.461 3.351 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[NH2+]C4(CCC4)C3)[nH+]cn2)cc1 ZINC000900022760 619391019 /nfs/dbraw/zinc/39/10/19/619391019.db2.gz ZVVNPRIVRCVGIW-MRXNPFEDSA-N 2 2 323.444 3.175 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[NH2+]C4(CCC4)C3)nc[nH+]2)cc1 ZINC000900022760 619391021 /nfs/dbraw/zinc/39/10/21/619391021.db2.gz ZVVNPRIVRCVGIW-MRXNPFEDSA-N 2 2 323.444 3.175 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902437030 619635786 /nfs/dbraw/zinc/63/57/86/619635786.db2.gz GQPWDPDDZYGZEL-AFHBHXEDSA-N 2 2 310.441 3.402 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C2CC2)c1 ZINC000902437212 619636198 /nfs/dbraw/zinc/63/61/98/619636198.db2.gz HGIQHRXKWKMUDY-PWRODBHTSA-N 2 2 322.452 3.231 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000902439625 619636573 /nfs/dbraw/zinc/63/65/73/619636573.db2.gz SGUGCLJBGKWLTJ-LWILDLIXSA-N 2 2 322.452 3.369 20 0 DGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)OCCCO2 ZINC000902440797 619636830 /nfs/dbraw/zinc/63/68/30/619636830.db2.gz ACZJJMBLMDPSLD-YXKFXFPPSA-N 2 2 324.424 3.123 20 0 DGADLP Brc1ccc([C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)cc1 ZINC000902472275 619638117 /nfs/dbraw/zinc/63/81/17/619638117.db2.gz ZZDPHHDSVKSEIZ-JJXSEGSLSA-N 2 2 321.262 3.383 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467879 619641930 /nfs/dbraw/zinc/64/19/30/619641930.db2.gz QTQIRUNVGIEETO-LTCOOKNTSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H](C)c1nc2ccccc2s1 ZINC000902470988 619642273 /nfs/dbraw/zinc/64/22/73/619642273.db2.gz IJCANDOGRKUPEC-ZHZXCYKASA-N 2 2 301.459 3.271 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc2)c1 ZINC000902471387 619642730 /nfs/dbraw/zinc/64/27/30/619642730.db2.gz OMDVVRRVICECQV-OYNPSCLESA-N 2 2 322.452 3.462 20 0 DGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483056 619645489 /nfs/dbraw/zinc/64/54/89/619645489.db2.gz OZABAGFCOACORK-NVXWUHKLSA-N 2 2 317.477 3.088 20 0 DGADLP COCc1cc([C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)ccc1OC ZINC000902483602 619645636 /nfs/dbraw/zinc/64/56/36/619645636.db2.gz SBXBNWLYIPUZEB-WMLDXEAASA-N 2 2 306.450 3.024 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c(C)c1 ZINC000902486251 619645831 /nfs/dbraw/zinc/64/58/31/619645831.db2.gz CKFCLXBZOPYASW-IRXDYDNUSA-N 2 2 317.477 3.142 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902726168 619666303 /nfs/dbraw/zinc/66/63/03/619666303.db2.gz LNHSRMFBWJTRBH-LLVKDONJSA-N 2 2 301.356 3.235 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902806998 619675817 /nfs/dbraw/zinc/67/58/17/619675817.db2.gz UCCODEXPTHZIPL-QFBILLFUSA-N 2 2 321.424 3.127 20 0 DGADLP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902806997 619676039 /nfs/dbraw/zinc/67/60/39/619676039.db2.gz UCCODEXPTHZIPL-LPHOPBHVSA-N 2 2 321.424 3.127 20 0 DGADLP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)[nH+]c1 ZINC000902835299 619682301 /nfs/dbraw/zinc/68/23/01/619682301.db2.gz DDZNZUOLCXGIMM-ZWKOTPCHSA-N 2 2 317.477 3.459 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902887792 619688562 /nfs/dbraw/zinc/68/85/62/619688562.db2.gz MRIUTFNDONQWBJ-OAHLLOKOSA-N 2 2 321.428 3.184 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000902893602 619689706 /nfs/dbraw/zinc/68/97/06/619689706.db2.gz ADBDYXMVFJUBDD-WQANXHIZSA-N 2 2 323.440 3.481 20 0 DGADLP C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902954081 619696882 /nfs/dbraw/zinc/69/68/82/619696882.db2.gz PXIUSMGOKBGKSS-UCLAIMLFSA-N 2 2 311.429 3.481 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902969883 619698029 /nfs/dbraw/zinc/69/80/29/619698029.db2.gz IEMXGHDSCXMOTP-HNNXBMFYSA-N 2 2 301.434 3.464 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903023695 619706212 /nfs/dbraw/zinc/70/62/12/619706212.db2.gz HUEKJINDNZOJQQ-WQVCFCJDSA-N 2 2 321.371 3.072 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCOC23CCCC3)c[nH+]1 ZINC000903068192 619710620 /nfs/dbraw/zinc/71/06/20/619710620.db2.gz ZCAPKSYRIQADJF-SFHVURJKSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cnn(CC2CCC2)c1 ZINC000903072943 619715354 /nfs/dbraw/zinc/71/53/54/619715354.db2.gz GDNZGMGGFVCCRM-OAHLLOKOSA-N 2 2 301.438 3.011 20 0 DGADLP CC(C)[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903105049 619717612 /nfs/dbraw/zinc/71/76/12/619717612.db2.gz ORRPHYQRPNSBSJ-JLYLLQBASA-N 3 2 307.526 3.243 20 0 DGADLP CC(C)[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903105049 619717614 /nfs/dbraw/zinc/71/76/14/619717614.db2.gz ORRPHYQRPNSBSJ-JLYLLQBASA-N 3 2 307.526 3.243 20 0 DGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(CC2CCC2)c1 ZINC000903164273 619728009 /nfs/dbraw/zinc/72/80/09/619728009.db2.gz KPQLSEOYJPPHKC-VNCLNFNDSA-N 2 2 316.493 3.351 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000903164892 619728359 /nfs/dbraw/zinc/72/83/59/619728359.db2.gz DYKNQUVCRZOUHU-GZBFAFLISA-N 2 2 304.400 3.429 20 0 DGADLP CO[C@@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCSC1 ZINC000903309226 619757077 /nfs/dbraw/zinc/75/70/77/619757077.db2.gz DSGAOWDTPGQURI-RHSMWYFYSA-N 2 2 317.458 3.045 20 0 DGADLP COC1(C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCC1 ZINC000903380545 619768565 /nfs/dbraw/zinc/76/85/65/619768565.db2.gz NMINVGGOKUGFDN-RDJZCZTQSA-N 2 2 305.466 3.012 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccco3)on2)CCC1 ZINC000903812941 619818362 /nfs/dbraw/zinc/81/83/62/619818362.db2.gz BNOOPCLTSNTFSZ-QGZVFWFLSA-N 2 2 315.417 3.418 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cc(-c3ccco3)on2)CCC1 ZINC000903812941 619818367 /nfs/dbraw/zinc/81/83/67/619818367.db2.gz BNOOPCLTSNTFSZ-QGZVFWFLSA-N 2 2 315.417 3.418 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000903822247 619819465 /nfs/dbraw/zinc/81/94/65/619819465.db2.gz YAMMPJUZPKIBGN-HZPDHXFCSA-N 2 2 317.230 3.163 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000903885208 619828335 /nfs/dbraw/zinc/82/83/35/619828335.db2.gz JNLWSOHWLUFXCD-KBPBESRZSA-N 2 2 307.388 3.330 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000903885208 619828338 /nfs/dbraw/zinc/82/83/38/619828338.db2.gz JNLWSOHWLUFXCD-KBPBESRZSA-N 2 2 307.388 3.330 20 0 DGADLP [NH3+][C@@H](C[NH2+]C1(c2ccc(F)cc2F)CCCC1)CC(F)F ZINC000903902943 619831686 /nfs/dbraw/zinc/83/16/86/619831686.db2.gz PVXWMIDHUVUIBJ-LLVKDONJSA-N 2 2 304.331 3.306 20 0 DGADLP CC(C)CCOc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903919212 619833816 /nfs/dbraw/zinc/83/38/16/619833816.db2.gz BBWBODOJPDKZCD-CQSZACIVSA-N 2 2 300.393 3.184 20 0 DGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000904389863 619917676 /nfs/dbraw/zinc/91/76/76/619917676.db2.gz WSJZUVSMMCQMRW-AWEZNQCLSA-N 2 2 307.507 3.185 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(-c2ccnn2C)c1 ZINC000904429308 619921481 /nfs/dbraw/zinc/92/14/81/619921481.db2.gz CZMFWSYVGJZDLK-FQEVSTJZSA-N 2 2 324.472 3.114 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(-c2ccnn2C)c1 ZINC000904429308 619921483 /nfs/dbraw/zinc/92/14/83/619921483.db2.gz CZMFWSYVGJZDLK-FQEVSTJZSA-N 2 2 324.472 3.114 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000906203705 620070250 /nfs/dbraw/zinc/07/02/50/620070250.db2.gz DAEVCVCJHIKKGA-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000906198366 620074894 /nfs/dbraw/zinc/07/48/94/620074894.db2.gz TZKDHJQEGNNROS-INIZCTEOSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000906198366 620074897 /nfs/dbraw/zinc/07/48/97/620074897.db2.gz TZKDHJQEGNNROS-INIZCTEOSA-N 2 2 317.477 3.391 20 0 DGADLP c1cn(C2CC[NH+](Cn3ccc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000152102178 620492178 /nfs/dbraw/zinc/49/21/78/620492178.db2.gz LBHFOXNOPXLOSM-UHFFFAOYSA-N 2 2 307.401 3.041 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)cc2)c[nH+]1 ZINC000921603706 620912975 /nfs/dbraw/zinc/91/29/75/620912975.db2.gz KZKSKAWBBWHVMR-FGTMMUONSA-N 2 2 311.429 3.167 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C3([NH+](C)C)CCC3)cc2)[nH+]c1C ZINC000921657994 620928508 /nfs/dbraw/zinc/92/85/08/620928508.db2.gz ITEQOEVFBQCKHE-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000922270312 621015812 /nfs/dbraw/zinc/01/58/12/621015812.db2.gz UHTYEKTWXIALPP-OAHLLOKOSA-N 2 2 307.869 3.255 20 0 DGADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000922270312 621015816 /nfs/dbraw/zinc/01/58/16/621015816.db2.gz UHTYEKTWXIALPP-OAHLLOKOSA-N 2 2 307.869 3.255 20 0 DGADLP c1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n(C2CCC2)n1 ZINC000922336527 621026908 /nfs/dbraw/zinc/02/69/08/621026908.db2.gz YKMONPUDNKCEPP-LJQANCHMSA-N 2 2 321.428 3.336 20 0 DGADLP Cc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)c(Br)cc1F ZINC000858115783 621154575 /nfs/dbraw/zinc/15/45/75/621154575.db2.gz LPYPBXNMHIRKAD-NSHDSACASA-N 2 2 317.246 3.326 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000858245666 621167992 /nfs/dbraw/zinc/16/79/92/621167992.db2.gz LNVOFEZOBBYOQB-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000858245666 621167994 /nfs/dbraw/zinc/16/79/94/621167994.db2.gz LNVOFEZOBBYOQB-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000858348207 621179218 /nfs/dbraw/zinc/17/92/18/621179218.db2.gz GHQJZWJTSOGHRD-QGZVFWFLSA-N 2 2 311.429 3.290 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000923518454 621191186 /nfs/dbraw/zinc/19/11/86/621191186.db2.gz KDKWJWGRCAWHDY-JKSUJKDBSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000923518454 621191189 /nfs/dbraw/zinc/19/11/89/621191189.db2.gz KDKWJWGRCAWHDY-JKSUJKDBSA-N 2 2 313.470 3.160 20 0 DGADLP Fc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)ccn1 ZINC000859299448 621268156 /nfs/dbraw/zinc/26/81/56/621268156.db2.gz TZPFNSKACZUGIR-UHFFFAOYSA-N 2 2 322.387 3.091 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000838934910 621305763 /nfs/dbraw/zinc/30/57/63/621305763.db2.gz BKNBGRRBWOEHAO-AWEZNQCLSA-N 2 2 323.362 3.471 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000838934910 621305766 /nfs/dbraw/zinc/30/57/66/621305766.db2.gz BKNBGRRBWOEHAO-AWEZNQCLSA-N 2 2 323.362 3.471 20 0 DGADLP CC[N@H+](CCc1ccccn1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000753535917 621447051 /nfs/dbraw/zinc/44/70/51/621447051.db2.gz LOQBMPPQTMUFQX-UHFFFAOYSA-N 2 2 312.442 3.393 20 0 DGADLP CC[N@@H+](CCc1ccccn1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000753535917 621447053 /nfs/dbraw/zinc/44/70/53/621447053.db2.gz LOQBMPPQTMUFQX-UHFFFAOYSA-N 2 2 312.442 3.393 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000753664404 621458574 /nfs/dbraw/zinc/45/85/74/621458574.db2.gz JYAQZHNNGBEAHF-RDJZCZTQSA-N 2 2 302.462 3.447 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000753664404 621458576 /nfs/dbraw/zinc/45/85/76/621458576.db2.gz JYAQZHNNGBEAHF-RDJZCZTQSA-N 2 2 302.462 3.447 20 0 DGADLP Cc1c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccnc1F ZINC000862265532 621569710 /nfs/dbraw/zinc/56/97/10/621569710.db2.gz JSDGDCIXXOCQRY-UHFFFAOYSA-N 2 2 313.420 3.067 20 0 DGADLP Cc1c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccnc1F ZINC000862265532 621569711 /nfs/dbraw/zinc/56/97/11/621569711.db2.gz JSDGDCIXXOCQRY-UHFFFAOYSA-N 2 2 313.420 3.067 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C2 ZINC000756029481 621610881 /nfs/dbraw/zinc/61/08/81/621610881.db2.gz DBGSUNTXASBZMS-WBVHZDCISA-N 2 2 302.462 3.017 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCCCc1ccccc1 ZINC000863543110 621682587 /nfs/dbraw/zinc/68/25/87/621682587.db2.gz WAIKWTBNBKDMOD-IEBWSBKVSA-N 2 2 304.478 3.146 20 0 DGADLP O[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)c(F)c1 ZINC000759855094 621897255 /nfs/dbraw/zinc/89/72/55/621897255.db2.gz SMBNKUINVYTJRP-INIZCTEOSA-N 2 2 323.799 3.046 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865403269 621911092 /nfs/dbraw/zinc/91/10/92/621911092.db2.gz CICFISLOGYVENK-UHFFFAOYSA-N 2 2 302.340 3.001 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000865425671 621917517 /nfs/dbraw/zinc/91/75/17/621917517.db2.gz PQKQPROOYOFOJE-QGZVFWFLSA-N 2 2 314.433 3.046 20 0 DGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000762433366 622075436 /nfs/dbraw/zinc/07/54/36/622075436.db2.gz YGEQPCREEQKGCR-AWEZNQCLSA-N 2 2 323.868 3.133 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)[nH+]c1 ZINC000866256735 622077509 /nfs/dbraw/zinc/07/75/09/622077509.db2.gz PHLJGWPKHRZWIF-WMZOPIPTSA-N 2 2 303.450 3.211 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866342507 622097857 /nfs/dbraw/zinc/09/78/57/622097857.db2.gz HJNKENPQNUOTSQ-MAUKXSAKSA-N 2 2 320.440 3.357 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC000764464874 622196098 /nfs/dbraw/zinc/19/60/98/622196098.db2.gz RDWSWKKPRILQDH-ZHALLVOQSA-N 2 2 304.478 3.474 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250411 622253813 /nfs/dbraw/zinc/25/38/13/622253813.db2.gz LZDUVYAVZOXGAW-ROUUACIJSA-N 2 2 315.461 3.145 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250410 622253980 /nfs/dbraw/zinc/25/39/80/622253980.db2.gz LZDUVYAVZOXGAW-QZTJIDSGSA-N 2 2 315.461 3.145 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000765973167 622297444 /nfs/dbraw/zinc/29/74/44/622297444.db2.gz DEYQDMAZHNCJSW-UGSOOPFHSA-N 2 2 324.415 3.259 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000122980369 622438936 /nfs/dbraw/zinc/43/89/36/622438936.db2.gz YHXCUCOMVZCCRD-HZPDHXFCSA-N 2 2 320.477 3.099 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874827 622570982 /nfs/dbraw/zinc/57/09/82/622570982.db2.gz MMXDIFIMADNSDI-KXBFYZLASA-N 2 2 314.473 3.463 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874827 622570984 /nfs/dbraw/zinc/57/09/84/622570984.db2.gz MMXDIFIMADNSDI-KXBFYZLASA-N 2 2 314.473 3.463 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770002422 622589131 /nfs/dbraw/zinc/58/91/31/622589131.db2.gz SXJDQLBAUVUKSE-ROUUACIJSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770002422 622589133 /nfs/dbraw/zinc/58/91/33/622589133.db2.gz SXJDQLBAUVUKSE-ROUUACIJSA-N 2 2 322.880 3.324 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000872019781 622755490 /nfs/dbraw/zinc/75/54/90/622755490.db2.gz ABJLVUYZTKBTDI-OALUTQOASA-N 2 2 313.445 3.226 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000872087533 622797933 /nfs/dbraw/zinc/79/79/33/622797933.db2.gz JFFWVWASTNJFFS-WMZOPIPTSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000872087533 622797935 /nfs/dbraw/zinc/79/79/35/622797935.db2.gz JFFWVWASTNJFFS-WMZOPIPTSA-N 2 2 306.494 3.475 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@H](C)CC ZINC000771844441 622802335 /nfs/dbraw/zinc/80/23/35/622802335.db2.gz VFKALQNGMNNGFB-OAHLLOKOSA-N 2 2 305.466 3.295 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000872149255 622833497 /nfs/dbraw/zinc/83/34/97/622833497.db2.gz MYESMIFXJKSSBP-ONGXEEELSA-N 2 2 324.749 3.091 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000872149255 622833503 /nfs/dbraw/zinc/83/35/03/622833503.db2.gz MYESMIFXJKSSBP-ONGXEEELSA-N 2 2 324.749 3.091 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000773093669 622982654 /nfs/dbraw/zinc/98/26/54/622982654.db2.gz FOAXILXZAMQHNM-WBVHZDCISA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000773093669 622982657 /nfs/dbraw/zinc/98/26/57/622982657.db2.gz FOAXILXZAMQHNM-WBVHZDCISA-N 2 2 313.420 3.363 20 0 DGADLP Fc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000773096129 622982733 /nfs/dbraw/zinc/98/27/33/622982733.db2.gz OPVFJDZNFLFEFB-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000873021544 623019316 /nfs/dbraw/zinc/01/93/16/623019316.db2.gz KXOSPLYMPLCVGZ-OAHLLOKOSA-N 2 2 316.380 3.368 20 0 DGADLP c1cc([C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cs1 ZINC000873208306 623075511 /nfs/dbraw/zinc/07/55/11/623075511.db2.gz SXQUHHBCJRDWAQ-HNNXBMFYSA-N 2 2 320.483 3.029 20 0 DGADLP c1cc([C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cs1 ZINC000873208306 623075515 /nfs/dbraw/zinc/07/55/15/623075515.db2.gz SXQUHHBCJRDWAQ-HNNXBMFYSA-N 2 2 320.483 3.029 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC000873238412 623086456 /nfs/dbraw/zinc/08/64/56/623086456.db2.gz ZNUISSPOEJDLEY-SUMWQHHRSA-N 2 2 303.450 3.074 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000873273812 623100851 /nfs/dbraw/zinc/10/08/51/623100851.db2.gz MVVUZVMKCNRIPG-ZFVVBOAOSA-N 2 2 308.853 3.290 20 0 DGADLP Cc1cc(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000774977885 623212753 /nfs/dbraw/zinc/21/27/53/623212753.db2.gz ZMJRDCFARFFPAJ-ZDUSSCGKSA-N 2 2 322.250 3.380 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000775351549 623259028 /nfs/dbraw/zinc/25/90/28/623259028.db2.gz JBPSWOZMYRTIBZ-OAHLLOKOSA-N 2 2 308.491 3.172 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000775371109 623261234 /nfs/dbraw/zinc/26/12/34/623261234.db2.gz UBGXJLKHUMLBCJ-DGXTUMSLSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000775371109 623261238 /nfs/dbraw/zinc/26/12/38/623261238.db2.gz UBGXJLKHUMLBCJ-DGXTUMSLSA-N 2 2 314.564 3.076 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)/C=C\[C@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737499 623692427 /nfs/dbraw/zinc/69/24/27/623692427.db2.gz RRXBEKFGDXVDFK-WHLNPGIBSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C=C[C@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737499 623692429 /nfs/dbraw/zinc/69/24/29/623692429.db2.gz RRXBEKFGDXVDFK-WHLNPGIBSA-N 2 2 324.428 3.188 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@@H+]1C ZINC000876765538 623701218 /nfs/dbraw/zinc/70/12/18/623701218.db2.gz SSHJSAIFPARTFY-XJKSGUPXSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@H+]1C ZINC000876765538 623701220 /nfs/dbraw/zinc/70/12/20/623701220.db2.gz SSHJSAIFPARTFY-XJKSGUPXSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765538 623701225 /nfs/dbraw/zinc/70/12/25/623701225.db2.gz SSHJSAIFPARTFY-XJKSGUPXSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765538 623701231 /nfs/dbraw/zinc/70/12/31/623701231.db2.gz SSHJSAIFPARTFY-XJKSGUPXSA-N 2 2 301.409 3.288 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810954 623712098 /nfs/dbraw/zinc/71/20/98/623712098.db2.gz AOUGZWMATTUTJH-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810954 623712101 /nfs/dbraw/zinc/71/21/01/623712101.db2.gz AOUGZWMATTUTJH-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810954 623712103 /nfs/dbraw/zinc/71/21/03/623712103.db2.gz AOUGZWMATTUTJH-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810954 623712106 /nfs/dbraw/zinc/71/21/06/623712106.db2.gz AOUGZWMATTUTJH-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP CSC(C)(C)CC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000876838125 623725348 /nfs/dbraw/zinc/72/53/48/623725348.db2.gz IMOONXVJXJDUCN-UHFFFAOYSA-N 2 2 307.507 3.382 20 0 DGADLP COc1c(C)c[nH+]c(CNc2ccc(CC[NH+](C)C)cc2)c1C ZINC000876855705 623729681 /nfs/dbraw/zinc/72/96/81/623729681.db2.gz ZRPFWCFEGQIRFT-UHFFFAOYSA-N 2 2 313.445 3.423 20 0 DGADLP COc1c(C)cnc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000779197770 623740789 /nfs/dbraw/zinc/74/07/89/623740789.db2.gz IMPQAZDZCITGRV-MRXNPFEDSA-N 2 2 307.482 3.163 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000876931675 623748182 /nfs/dbraw/zinc/74/81/82/623748182.db2.gz RKMYGLHXPCMZKM-SIFCLUCFSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000876931675 623748188 /nfs/dbraw/zinc/74/81/88/623748188.db2.gz RKMYGLHXPCMZKM-SIFCLUCFSA-N 2 2 304.415 3.173 20 0 DGADLP Cc1cc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)nc(N)[nH+]1 ZINC000779917920 623832942 /nfs/dbraw/zinc/83/29/42/623832942.db2.gz UBXKRBCBJRKZKG-CYBMUJFWSA-N 2 2 312.421 3.193 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000877479532 623902054 /nfs/dbraw/zinc/90/20/54/623902054.db2.gz WSXPNYGMCNHEEM-ZJTDPSCFSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000877479532 623902062 /nfs/dbraw/zinc/90/20/62/623902062.db2.gz WSXPNYGMCNHEEM-ZJTDPSCFSA-N 2 2 316.426 3.316 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782755324 624279861 /nfs/dbraw/zinc/27/98/61/624279861.db2.gz BOZVRKRTNCCSAV-OALUTQOASA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782755324 624279865 /nfs/dbraw/zinc/27/98/65/624279865.db2.gz BOZVRKRTNCCSAV-OALUTQOASA-N 2 2 302.462 3.228 20 0 DGADLP c1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761158 624281135 /nfs/dbraw/zinc/28/11/35/624281135.db2.gz OYFAISLXUXRWLW-WOJBJXKFSA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761158 624281138 /nfs/dbraw/zinc/28/11/38/624281138.db2.gz OYFAISLXUXRWLW-WOJBJXKFSA-N 2 2 314.473 3.228 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878521980 624297819 /nfs/dbraw/zinc/29/78/19/624297819.db2.gz HJWCBMIUCXEFKI-AYBZRNKSSA-N 2 2 316.445 3.191 20 0 DGADLP CCCCOC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783029868 624302091 /nfs/dbraw/zinc/30/20/91/624302091.db2.gz HPYZJDVARFPCPQ-INIZCTEOSA-N 2 2 321.465 3.107 20 0 DGADLP C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127478462 624410084 /nfs/dbraw/zinc/41/00/84/624410084.db2.gz HTAYNTORQCNVCH-FPTDNZKUSA-N 2 2 319.474 3.070 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566852 624592207 /nfs/dbraw/zinc/59/22/07/624592207.db2.gz ZNCXQDCTQMKJTP-DLBZAZTESA-N 2 2 313.470 3.366 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566852 624592213 /nfs/dbraw/zinc/59/22/13/624592213.db2.gz ZNCXQDCTQMKJTP-DLBZAZTESA-N 2 2 313.470 3.366 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880133406 624802377 /nfs/dbraw/zinc/80/23/77/624802377.db2.gz TXSDSLLHMHKFCX-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880133406 624802381 /nfs/dbraw/zinc/80/23/81/624802381.db2.gz TXSDSLLHMHKFCX-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133406 624802385 /nfs/dbraw/zinc/80/23/85/624802385.db2.gz TXSDSLLHMHKFCX-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133406 624802388 /nfs/dbraw/zinc/80/23/88/624802388.db2.gz TXSDSLLHMHKFCX-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP C[C@H](CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136036 624802657 /nfs/dbraw/zinc/80/26/57/624802657.db2.gz DNFOBDCVAKYTOL-NZSAHSFTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136036 624802659 /nfs/dbraw/zinc/80/26/59/624802659.db2.gz DNFOBDCVAKYTOL-NZSAHSFTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C)OCc1ccccc1 ZINC000880136036 624802661 /nfs/dbraw/zinc/80/26/61/624802661.db2.gz DNFOBDCVAKYTOL-NZSAHSFTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C)OCc1ccccc1 ZINC000880136036 624802664 /nfs/dbraw/zinc/80/26/64/624802664.db2.gz DNFOBDCVAKYTOL-NZSAHSFTSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139921 624804434 /nfs/dbraw/zinc/80/44/34/624804434.db2.gz AXQWIJQXKPFGAG-HCXYKTFWSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139921 624804436 /nfs/dbraw/zinc/80/44/36/624804436.db2.gz AXQWIJQXKPFGAG-HCXYKTFWSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139921 624804438 /nfs/dbraw/zinc/80/44/38/624804438.db2.gz AXQWIJQXKPFGAG-HCXYKTFWSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139921 624804440 /nfs/dbraw/zinc/80/44/40/624804440.db2.gz AXQWIJQXKPFGAG-HCXYKTFWSA-N 2 2 300.446 3.075 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)c(C)c1 ZINC000880208778 624842294 /nfs/dbraw/zinc/84/22/94/624842294.db2.gz LTJVZRGJHUEOJS-IBGZPJMESA-N 2 2 316.489 3.345 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)c(C)c1 ZINC000880208778 624842297 /nfs/dbraw/zinc/84/22/97/624842297.db2.gz LTJVZRGJHUEOJS-IBGZPJMESA-N 2 2 316.489 3.345 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209671 624844622 /nfs/dbraw/zinc/84/46/22/624844622.db2.gz XDHCOIRXDNWAAC-UYAOXDASSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209671 624844626 /nfs/dbraw/zinc/84/46/26/624844626.db2.gz XDHCOIRXDNWAAC-UYAOXDASSA-N 2 2 314.473 3.297 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000880255799 624873552 /nfs/dbraw/zinc/87/35/52/624873552.db2.gz YNOFVOMTJXTFOK-UHFFFAOYSA-N 3 2 318.509 3.312 20 0 DGADLP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc(Cl)n1 ZINC000880258938 624875124 /nfs/dbraw/zinc/87/51/24/624875124.db2.gz KZYLQEADLHSXHL-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc(Cl)n1 ZINC000880258938 624875131 /nfs/dbraw/zinc/87/51/31/624875131.db2.gz KZYLQEADLHSXHL-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP CC(C)CCOCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568715 624979348 /nfs/dbraw/zinc/97/93/48/624979348.db2.gz DLSGDZJVYZMRCI-GOSISDBHSA-N 2 2 301.434 3.277 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c2ccccc2)c[nH+]1 ZINC000880569476 624979381 /nfs/dbraw/zinc/97/93/81/624979381.db2.gz FBBYEYBVTIYCRT-VJANTYMQSA-N 2 2 311.429 3.172 20 0 DGADLP ClC1(Cl)C[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568282 624979392 /nfs/dbraw/zinc/97/93/92/624979392.db2.gz WAIDFPGKFICDBR-UONOGXRCSA-N 2 2 310.228 3.408 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000880568578 624979499 /nfs/dbraw/zinc/97/94/99/624979499.db2.gz AMRNRKZXJFKGJW-IBGZPJMESA-N 2 2 306.413 3.426 20 0 DGADLP Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787282079 624995958 /nfs/dbraw/zinc/99/59/58/624995958.db2.gz IFZZKURSIQCBRB-CYBMUJFWSA-N 2 2 309.417 3.073 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788507122 625201591 /nfs/dbraw/zinc/20/15/91/625201591.db2.gz YBTRDDLIUFBJHV-HNNXBMFYSA-N 2 2 307.869 3.434 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012293 625896513 /nfs/dbraw/zinc/89/65/13/625896513.db2.gz AVDVHRRVAYUJAZ-ZIAGYGMSSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012293 625896519 /nfs/dbraw/zinc/89/65/19/625896519.db2.gz AVDVHRRVAYUJAZ-ZIAGYGMSSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193798 625965609 /nfs/dbraw/zinc/96/56/09/625965609.db2.gz GHQCLHGJGBSOGH-KXBFYZLASA-N 2 2 320.452 3.367 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193798 625965614 /nfs/dbraw/zinc/96/56/14/625965614.db2.gz GHQCLHGJGBSOGH-KXBFYZLASA-N 2 2 320.452 3.367 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccc(F)cc2)s1 ZINC000796283022 626035117 /nfs/dbraw/zinc/03/51/17/626035117.db2.gz BCKFGMQWDCNYES-UHFFFAOYSA-N 2 2 307.438 3.369 20 0 DGADLP CC(C)OC[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000800243831 626344375 /nfs/dbraw/zinc/34/43/75/626344375.db2.gz BFBAONKCAOMTLM-DOTOQJQBSA-N 2 2 301.434 3.107 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255002 626625408 /nfs/dbraw/zinc/62/54/08/626625408.db2.gz IMQMVQUNEKZUPI-ZBFHGGJFSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255002 626625409 /nfs/dbraw/zinc/62/54/09/626625409.db2.gz IMQMVQUNEKZUPI-ZBFHGGJFSA-N 2 2 323.431 3.317 20 0 DGADLP COCCC[C@@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883346685 626655428 /nfs/dbraw/zinc/65/54/28/626655428.db2.gz FETKACYLTLHDHU-APWZRJJASA-N 2 2 317.477 3.198 20 0 DGADLP COCCC[C@@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883346685 626655430 /nfs/dbraw/zinc/65/54/30/626655430.db2.gz FETKACYLTLHDHU-APWZRJJASA-N 2 2 317.477 3.198 20 0 DGADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883387319 626668549 /nfs/dbraw/zinc/66/85/49/626668549.db2.gz VRIGBMCOMWEIKV-MOPGFXCFSA-N 2 2 313.445 3.419 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387254 626668649 /nfs/dbraw/zinc/66/86/49/626668649.db2.gz UPMPMZMZYDKWGX-VQIMIIECSA-N 2 2 313.445 3.419 20 0 DGADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883387322 626668694 /nfs/dbraw/zinc/66/86/94/626668694.db2.gz VRIGBMCOMWEIKV-RTBURBONSA-N 2 2 313.445 3.419 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387182 626668972 /nfs/dbraw/zinc/66/89/72/626668972.db2.gz SOOOELJFIBAQLZ-ROUUACIJSA-N 2 2 301.434 3.275 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387916 626669281 /nfs/dbraw/zinc/66/92/81/626669281.db2.gz IGDHPOTWZFBZRQ-CRAIPNDOSA-N 2 2 307.401 3.074 20 0 DGADLP c1cn(C[C@H]([NH2+][C@H]2CCC23CCOCC3)c2ccccc2)c[nH+]1 ZINC000883388273 626669292 /nfs/dbraw/zinc/66/92/92/626669292.db2.gz QSNRCPQXKHKQDX-ROUUACIJSA-N 2 2 311.429 3.173 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387669 626669548 /nfs/dbraw/zinc/66/95/48/626669548.db2.gz BUKYUGQMOJWXIK-ZWKOTPCHSA-N 2 2 312.461 3.087 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387669 626669551 /nfs/dbraw/zinc/66/95/51/626669551.db2.gz BUKYUGQMOJWXIK-ZWKOTPCHSA-N 2 2 312.461 3.087 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388047 626669625 /nfs/dbraw/zinc/66/96/25/626669625.db2.gz LCIQBGKZXGLBFJ-PKOBYXMFSA-N 2 2 321.428 3.025 20 0 DGADLP COCC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388532 626670002 /nfs/dbraw/zinc/67/00/02/626670002.db2.gz XARLYKRPVJQXLA-NKELODKYSA-N 2 2 313.445 3.419 20 0 DGADLP CCOc1cncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883397189 626672565 /nfs/dbraw/zinc/67/25/65/626672565.db2.gz GWRXQICTBNYPFY-IBGZPJMESA-N 2 2 322.412 3.208 20 0 DGADLP c1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n(CC2CC2)n1 ZINC000883397561 626672600 /nfs/dbraw/zinc/67/26/00/626672600.db2.gz PQINNIVZTCGTIC-IBGZPJMESA-N 2 2 321.428 3.021 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@H]1CC ZINC000806154065 626703093 /nfs/dbraw/zinc/70/30/93/626703093.db2.gz BAPDCJKZJVEMFB-NVXWUHKLSA-N 2 2 317.477 3.438 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)cn1 ZINC000808378604 626819295 /nfs/dbraw/zinc/81/92/95/626819295.db2.gz UHBQKKRPUBGABK-MRXNPFEDSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)cn1 ZINC000808378604 626819297 /nfs/dbraw/zinc/81/92/97/626819297.db2.gz UHBQKKRPUBGABK-MRXNPFEDSA-N 2 2 312.461 3.084 20 0 DGADLP FC(F)(F)SCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000886094319 627101834 /nfs/dbraw/zinc/10/18/34/627101834.db2.gz PDMAIBOJFDOFFR-UHFFFAOYSA-N 2 2 305.369 3.211 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000886094814 627102055 /nfs/dbraw/zinc/10/20/55/627102055.db2.gz ZJARDMZPMCNSJM-QGZVFWFLSA-N 2 2 301.434 3.058 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000886094814 627102057 /nfs/dbraw/zinc/10/20/57/627102057.db2.gz ZJARDMZPMCNSJM-QGZVFWFLSA-N 2 2 301.434 3.058 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3CC[C@H](C4CC4)O3)CC2)c[nH+]1 ZINC000886122503 627108880 /nfs/dbraw/zinc/10/88/80/627108880.db2.gz CFWAPKMSISEVTK-RBUKOAKNSA-N 2 2 317.477 3.333 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886175421 627117731 /nfs/dbraw/zinc/11/77/31/627117731.db2.gz ZYCHTFZEVBRZGN-MJGOQNOKSA-N 2 2 316.445 3.191 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886175420 627117839 /nfs/dbraw/zinc/11/78/39/627117839.db2.gz ZYCHTFZEVBRZGN-IEBWSBKVSA-N 2 2 316.445 3.191 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)c2ccccc2)c[nH+]1 ZINC000886319661 627136611 /nfs/dbraw/zinc/13/66/11/627136611.db2.gz LFRYOUVGSFAUOB-CEXWTWQISA-N 2 2 311.429 3.172 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886501235 627153402 /nfs/dbraw/zinc/15/34/02/627153402.db2.gz BTTUDLTWSXFECS-LMDPOFIKSA-N 3 2 307.526 3.248 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000886537360 627158686 /nfs/dbraw/zinc/15/86/86/627158686.db2.gz YVOGJKHDKJWGKE-UHFFFAOYSA-N 3 2 316.493 3.270 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000813784745 627511729 /nfs/dbraw/zinc/51/17/29/627511729.db2.gz QEKGFSDAYREKOJ-CYBMUJFWSA-N 2 2 320.868 3.121 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)c1ccccc1 ZINC000924535034 627646504 /nfs/dbraw/zinc/64/65/04/627646504.db2.gz YZVXFTBXYXHPGG-OGWHTMIXSA-N 2 2 304.478 3.330 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559092 627649651 /nfs/dbraw/zinc/64/96/51/627649651.db2.gz HXHKGIQXWOEBPP-RTWAWAEBSA-N 2 2 323.484 3.309 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559092 627649655 /nfs/dbraw/zinc/64/96/55/627649655.db2.gz HXHKGIQXWOEBPP-RTWAWAEBSA-N 2 2 323.484 3.309 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924574379 627650616 /nfs/dbraw/zinc/65/06/16/627650616.db2.gz CZZYBYNGHUYLKT-WMZOPIPTSA-N 2 2 312.461 3.033 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924574379 627650621 /nfs/dbraw/zinc/65/06/21/627650621.db2.gz CZZYBYNGHUYLKT-WMZOPIPTSA-N 2 2 312.461 3.033 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924623841 627658666 /nfs/dbraw/zinc/65/86/66/627658666.db2.gz SJMDIGFFHBRSTI-OALUTQOASA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924623841 627658669 /nfs/dbraw/zinc/65/86/69/627658669.db2.gz SJMDIGFFHBRSTI-OALUTQOASA-N 2 2 309.457 3.384 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)n1 ZINC000924697440 627669269 /nfs/dbraw/zinc/66/92/69/627669269.db2.gz TVPWFUJGEYSITI-AVGNSLFASA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)n1 ZINC000924697440 627669270 /nfs/dbraw/zinc/66/92/70/627669270.db2.gz TVPWFUJGEYSITI-AVGNSLFASA-N 2 2 324.266 3.122 20 0 DGADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728781 627674249 /nfs/dbraw/zinc/67/42/49/627674249.db2.gz HTWUEPDSCIJSFK-ZFWWWQNUSA-N 2 2 302.422 3.261 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000924729230 627674512 /nfs/dbraw/zinc/67/45/12/627674512.db2.gz KEHKZVPEDUWUFS-VQHPVUNQSA-N 2 2 305.466 3.093 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576794 627686088 /nfs/dbraw/zinc/68/60/88/627686088.db2.gz YOLRWMTZDUUVPG-KYNGSXCRSA-N 2 2 300.446 3.078 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576794 627686091 /nfs/dbraw/zinc/68/60/91/627686091.db2.gz YOLRWMTZDUUVPG-KYNGSXCRSA-N 2 2 300.446 3.078 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(OC)n2)CC1 ZINC000924847810 627686172 /nfs/dbraw/zinc/68/61/72/627686172.db2.gz VQBZPVUOJDWCRZ-INIZCTEOSA-N 2 2 305.466 3.395 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(OC)n1 ZINC000924841351 627686382 /nfs/dbraw/zinc/68/63/82/627686382.db2.gz BYRDVROEOUAJBR-MRXNPFEDSA-N 2 2 303.450 3.148 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cn2c(n1)CCCC2 ZINC000924928155 627693983 /nfs/dbraw/zinc/69/39/83/627693983.db2.gz UUOYQCZJTNDLOF-OAHLLOKOSA-N 2 2 313.449 3.157 20 0 DGADLP CCC[NH+](CCC)CCCN[C@@H](C)c1cn2c([nH+]1)CCCC2 ZINC000924929890 627694956 /nfs/dbraw/zinc/69/49/56/627694956.db2.gz FMODEZKXHOEQKB-INIZCTEOSA-N 2 2 306.498 3.382 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000925012011 627701312 /nfs/dbraw/zinc/70/13/12/627701312.db2.gz UMWAITZAAHJCBR-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012011 627701315 /nfs/dbraw/zinc/70/13/15/627701315.db2.gz UMWAITZAAHJCBR-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925158843 627714396 /nfs/dbraw/zinc/71/43/96/627714396.db2.gz BJCQPXOTVLYZNG-BRWVUGGUSA-N 2 2 318.461 3.069 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925158843 627714397 /nfs/dbraw/zinc/71/43/97/627714397.db2.gz BJCQPXOTVLYZNG-BRWVUGGUSA-N 2 2 318.461 3.069 20 0 DGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)OCCO2 ZINC000925512141 627744898 /nfs/dbraw/zinc/74/48/98/627744898.db2.gz ZXQRQSNFINDSJH-QZTJIDSGSA-N 2 2 316.445 3.029 20 0 DGADLP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000925514504 627745085 /nfs/dbraw/zinc/74/50/85/627745085.db2.gz PNFXCEWMZGAERP-BXWFABGCSA-N 3 2 303.494 3.128 20 0 DGADLP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000925514504 627745088 /nfs/dbraw/zinc/74/50/88/627745088.db2.gz PNFXCEWMZGAERP-BXWFABGCSA-N 3 2 303.494 3.128 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000925522463 627747209 /nfs/dbraw/zinc/74/72/09/627747209.db2.gz ZSEKAIYFNLKLNG-HNNXBMFYSA-N 2 2 301.459 3.083 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1nc(C(F)(F)F)cs1 ZINC000925527823 627747634 /nfs/dbraw/zinc/74/76/34/627747634.db2.gz RDQIKHAKIQHDBX-LPEHRKFASA-N 2 2 319.396 3.473 20 0 DGADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)[C@@H]2C1 ZINC000925579422 627757990 /nfs/dbraw/zinc/75/79/90/627757990.db2.gz FNPCDJMEAOTIIK-ULQDDVLXSA-N 2 2 324.534 3.038 20 0 DGADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)[C@@H]2C1 ZINC000925579422 627757991 /nfs/dbraw/zinc/75/79/91/627757991.db2.gz FNPCDJMEAOTIIK-ULQDDVLXSA-N 2 2 324.534 3.038 20 0 DGADLP [NH3+]CCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000925598598 627760542 /nfs/dbraw/zinc/76/05/42/627760542.db2.gz WVVCRFQVZYXKSA-QGZVFWFLSA-N 2 2 321.428 3.042 20 0 DGADLP [NH3+]CCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000925598598 627760547 /nfs/dbraw/zinc/76/05/47/627760547.db2.gz WVVCRFQVZYXKSA-QGZVFWFLSA-N 2 2 321.428 3.042 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c2ccccn2)cc1 ZINC000925662951 627772802 /nfs/dbraw/zinc/77/28/02/627772802.db2.gz MOCNGYURDZRODA-QRVBRYPASA-N 2 2 307.441 3.339 20 0 DGADLP Fc1ccc2c(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)noc2c1 ZINC000925729382 627783166 /nfs/dbraw/zinc/78/31/66/627783166.db2.gz PLODFZHZLUEZOQ-CVEARBPZSA-N 2 2 317.408 3.225 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792644 627796330 /nfs/dbraw/zinc/79/63/30/627796330.db2.gz GQGFJOMJDQRDMN-ZWKOTPCHSA-N 2 2 316.489 3.421 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794998 627796351 /nfs/dbraw/zinc/79/63/51/627796351.db2.gz JDEIBGNSAQHCGQ-NUJGCVRESA-N 2 2 314.473 3.292 20 0 DGADLP C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817276701 627876016 /nfs/dbraw/zinc/87/60/16/627876016.db2.gz MVECMWNYLIVXLJ-HZPDHXFCSA-N 2 2 302.462 3.043 20 0 DGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnn1CC1CCC1 ZINC000926340369 627882306 /nfs/dbraw/zinc/88/23/06/627882306.db2.gz ZNWYHIMFUGSZOP-ZLPCBKJTSA-N 2 2 316.493 3.351 20 0 DGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746750 627945597 /nfs/dbraw/zinc/94/55/97/627945597.db2.gz UAIHDUYMOKGHST-YTQUADARSA-N 2 2 308.510 3.314 20 0 DGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746750 627945600 /nfs/dbraw/zinc/94/56/00/627945600.db2.gz UAIHDUYMOKGHST-YTQUADARSA-N 2 2 308.510 3.314 20 0 DGADLP C([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746742 627946128 /nfs/dbraw/zinc/94/61/28/627946128.db2.gz SZFLKEMJRUKSIQ-QRQLOZEOSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746742 627946131 /nfs/dbraw/zinc/94/61/31/627946131.db2.gz SZFLKEMJRUKSIQ-QRQLOZEOSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763024 627948836 /nfs/dbraw/zinc/94/88/36/627948836.db2.gz ROPDCOQJFPOACD-OXQOHEQNSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763024 627948838 /nfs/dbraw/zinc/94/88/38/627948838.db2.gz ROPDCOQJFPOACD-OXQOHEQNSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000817919762 627961434 /nfs/dbraw/zinc/96/14/34/627961434.db2.gz VUUYWPAZHXTLJQ-WIHQQPEOSA-N 2 2 317.260 3.145 20 0 DGADLP C[C@H]1CC2(CC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)C2)CO1 ZINC000926863338 627966016 /nfs/dbraw/zinc/96/60/16/627966016.db2.gz KNEIWPVCCYIHKU-WEOZKBJRSA-N 2 2 311.429 3.172 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817933960 627966060 /nfs/dbraw/zinc/96/60/60/627966060.db2.gz YHCPWRKXHIKODY-QLFBSQMISA-N 2 2 311.832 3.275 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc12 ZINC000926885800 627970342 /nfs/dbraw/zinc/97/03/42/627970342.db2.gz QGCPGYCZBATHOH-ROUUACIJSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc12 ZINC000926885800 627970345 /nfs/dbraw/zinc/97/03/45/627970345.db2.gz QGCPGYCZBATHOH-ROUUACIJSA-N 2 2 311.429 3.047 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)ccc1SC(F)F ZINC000817951238 627972491 /nfs/dbraw/zinc/97/24/91/627972491.db2.gz CEXREYLNONTNNX-PWSUYJOCSA-N 2 2 316.417 3.413 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000817962700 627977086 /nfs/dbraw/zinc/97/70/86/627977086.db2.gz NLCJTQYBXRWYHS-CMPLNLGQSA-N 2 2 300.244 3.012 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1SC(C)(C)C ZINC000817984259 627983354 /nfs/dbraw/zinc/98/33/54/627983354.db2.gz WYMFVCAJYRWTAG-UONOGXRCSA-N 2 2 308.491 3.216 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C(OC)OC)ccc2F)CC1 ZINC000818174475 628000814 /nfs/dbraw/zinc/00/08/14/628000814.db2.gz VEMLJJQOBXIAHA-UHFFFAOYSA-N 2 2 324.440 3.081 20 0 DGADLP Cc1ccc(NCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000927069959 628007446 /nfs/dbraw/zinc/00/74/46/628007446.db2.gz FDHUWRSNJTWFPS-MRXNPFEDSA-N 2 2 321.428 3.338 20 0 DGADLP Cc1cc(F)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000927095868 628013452 /nfs/dbraw/zinc/01/34/52/628013452.db2.gz YPRZTOLGRUYPNP-UHFFFAOYSA-N 2 2 317.383 3.427 20 0 DGADLP Cc1ccccc1[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000818945565 628064576 /nfs/dbraw/zinc/06/45/76/628064576.db2.gz KSGNHQJTYRWIQF-HXUWFJFHSA-N 2 2 321.424 3.063 20 0 DGADLP OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000820809171 628299182 /nfs/dbraw/zinc/29/91/82/628299182.db2.gz VVAJKOAODYYSKD-SJLPKXTDSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@H]1CC[NH2+][C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000822728127 628485208 /nfs/dbraw/zinc/48/52/08/628485208.db2.gz HQXKTHMJVANTSH-XJKSGUPXSA-N 2 2 323.400 3.042 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823659429 628584190 /nfs/dbraw/zinc/58/41/90/628584190.db2.gz BBWNOVVWSHHCEB-BETUJISGSA-N 2 2 313.848 3.332 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823659429 628584192 /nfs/dbraw/zinc/58/41/92/628584192.db2.gz BBWNOVVWSHHCEB-BETUJISGSA-N 2 2 313.848 3.332 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823659433 628584312 /nfs/dbraw/zinc/58/43/12/628584312.db2.gz BBWNOVVWSHHCEB-STQMWFEESA-N 2 2 313.848 3.332 20 0 DGADLP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000823944340 628612269 /nfs/dbraw/zinc/61/22/69/628612269.db2.gz XYZKBPAIFHBZPA-AWEZNQCLSA-N 2 2 321.428 3.334 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477192 628663872 /nfs/dbraw/zinc/66/38/72/628663872.db2.gz IUNPXSOBKLNXFI-ZIAGYGMSSA-N 2 2 319.836 3.430 20 0 DGADLP C[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(Cl)Cl ZINC000824772737 628692160 /nfs/dbraw/zinc/69/21/60/628692160.db2.gz HOMDCTHIAVEYMV-AWEZNQCLSA-N 2 2 314.260 3.224 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826926874 628904466 /nfs/dbraw/zinc/90/44/66/628904466.db2.gz PNGIUELSVZGVKL-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826926874 628904468 /nfs/dbraw/zinc/90/44/68/628904468.db2.gz PNGIUELSVZGVKL-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCCCC[NH3+] ZINC000831975000 629432205 /nfs/dbraw/zinc/43/22/05/629432205.db2.gz GQTCWIIWRRYWDK-UHFFFAOYSA-N 2 2 300.406 3.233 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000841100628 630407868 /nfs/dbraw/zinc/40/78/68/630407868.db2.gz JGMMBCVMKFFZGF-JSGCOSHPSA-N 2 2 312.889 3.062 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000841100628 630407870 /nfs/dbraw/zinc/40/78/70/630407870.db2.gz JGMMBCVMKFFZGF-JSGCOSHPSA-N 2 2 312.889 3.062 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000843353901 630648752 /nfs/dbraw/zinc/64/87/52/630648752.db2.gz QFMUBTHVWPCWID-ZOBUZTSGSA-N 2 2 317.477 3.198 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000843353901 630648754 /nfs/dbraw/zinc/64/87/54/630648754.db2.gz QFMUBTHVWPCWID-ZOBUZTSGSA-N 2 2 317.477 3.198 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)c2)[nH+]c1C ZINC000844176538 630711428 /nfs/dbraw/zinc/71/14/28/630711428.db2.gz SVBLXYZZCIXYBH-ZBEGNZNMSA-N 2 2 312.417 3.020 20 0 DGADLP CCC(CC)(C[NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000844176217 630711515 /nfs/dbraw/zinc/71/15/15/630711515.db2.gz PEWUTTFMYULVDW-UHFFFAOYSA-N 2 2 314.433 3.397 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2)[nH+]c1C ZINC000848410592 631656904 /nfs/dbraw/zinc/65/69/04/631656904.db2.gz QZFFLJKAXMTINJ-APWZRJJASA-N 2 2 324.428 3.022 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2CCCn3ccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000848549778 631688200 /nfs/dbraw/zinc/68/82/00/631688200.db2.gz UEQSVXJNSHSDJB-ICSRJNTNSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2CCCn3ccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549778 631688207 /nfs/dbraw/zinc/68/82/07/631688207.db2.gz UEQSVXJNSHSDJB-ICSRJNTNSA-N 2 2 324.472 3.220 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575435 631701773 /nfs/dbraw/zinc/70/17/73/631701773.db2.gz QQFSCCWIKYGGIE-MSOLQXFVSA-N 2 2 302.462 3.021 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575435 631701777 /nfs/dbraw/zinc/70/17/77/631701777.db2.gz QQFSCCWIKYGGIE-MSOLQXFVSA-N 2 2 302.462 3.021 20 0 DGADLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849013789 631806808 /nfs/dbraw/zinc/80/68/08/631806808.db2.gz HNEWHDSFUCJXKR-CZUORRHYSA-N 2 2 322.884 3.389 20 0 DGADLP CC(C)n1ncc2cc(C[NH2+]CC3([NH3+])CCCC3)c(Cl)nc21 ZINC000849350105 631901008 /nfs/dbraw/zinc/90/10/08/631901008.db2.gz PVYHVQVJDAYKEZ-UHFFFAOYSA-N 2 2 321.856 3.027 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000850174587 632072329 /nfs/dbraw/zinc/07/23/29/632072329.db2.gz TXBXQKFLTAWTEJ-CABCVRRESA-N 2 2 306.425 3.329 20 0 DGADLP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000850371887 632129433 /nfs/dbraw/zinc/12/94/33/632129433.db2.gz NAXVWOMGURLZQH-RTWAWAEBSA-N 2 2 322.452 3.419 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562168 632194635 /nfs/dbraw/zinc/19/46/35/632194635.db2.gz RCXTZONSXOTUHQ-WMZOPIPTSA-N 2 2 324.472 3.363 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562168 632194638 /nfs/dbraw/zinc/19/46/38/632194638.db2.gz RCXTZONSXOTUHQ-WMZOPIPTSA-N 2 2 324.472 3.363 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CC3CCC3)CC2)c(C)[nH+]1 ZINC000996824230 660294735 /nfs/dbraw/zinc/29/47/35/660294735.db2.gz AHVVTCSEOQLVFY-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC000999759231 660426556 /nfs/dbraw/zinc/42/65/56/660426556.db2.gz AVCMRGCYKXHXRA-KRWDZBQOSA-N 2 2 315.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC000999765646 660426985 /nfs/dbraw/zinc/42/69/85/660426985.db2.gz PQQPBTNUKLSKLN-QGZVFWFLSA-N 2 2 315.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001035001187 660807478 /nfs/dbraw/zinc/80/74/78/660807478.db2.gz UARLBHFGTWNZLE-QGZVFWFLSA-N 2 2 315.461 3.001 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335713 661141219 /nfs/dbraw/zinc/14/12/19/661141219.db2.gz HLEIRZTXOMUGMF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335713 661141220 /nfs/dbraw/zinc/14/12/20/661141220.db2.gz HLEIRZTXOMUGMF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335713 661141222 /nfs/dbraw/zinc/14/12/22/661141222.db2.gz HLEIRZTXOMUGMF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335713 661141224 /nfs/dbraw/zinc/14/12/24/661141224.db2.gz HLEIRZTXOMUGMF-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000795899953 661177980 /nfs/dbraw/zinc/17/79/80/661177980.db2.gz BHKIVUSHJVOANP-MRXNPFEDSA-N 2 2 302.462 3.018 20 0 DGADLP C=C(Br)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052441278 655816681 /nfs/dbraw/zinc/81/66/81/655816681.db2.gz VEPUAHSNTNHONI-UHFFFAOYSA-N 2 2 315.299 3.483 20 0 DGADLP CCC[N@H+](Cc1cc(C(C)=O)ccc1OCC)C1CC[NH2+]CC1 ZINC000261655437 655837773 /nfs/dbraw/zinc/83/77/73/655837773.db2.gz FSCPOHKANKRSRJ-UHFFFAOYSA-N 2 2 318.461 3.252 20 0 DGADLP CCC[N@@H+](Cc1cc(C(C)=O)ccc1OCC)C1CC[NH2+]CC1 ZINC000261655437 655837775 /nfs/dbraw/zinc/83/77/75/655837775.db2.gz FSCPOHKANKRSRJ-UHFFFAOYSA-N 2 2 318.461 3.252 20 0 DGADLP [NH3+]CC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000262905124 655862116 /nfs/dbraw/zinc/86/21/16/655862116.db2.gz FASKWVJYHBOKCI-UHFFFAOYSA-N 2 2 303.233 3.043 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000178053541 655953685 /nfs/dbraw/zinc/95/36/85/655953685.db2.gz PRCVOKPHCSSEMP-HOTGVXAUSA-N 2 2 301.434 3.139 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Br)cc1 ZINC000328572974 656060642 /nfs/dbraw/zinc/06/06/42/656060642.db2.gz VGQVNIAHKTWNAO-QBHINQIDSA-N 2 2 321.262 3.096 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](CCc3nsc4ccccc43)C[C@]2(C)C1 ZINC000931316546 656205616 /nfs/dbraw/zinc/20/56/16/656205616.db2.gz JDSKHCLWNNTVGE-HDICACEKSA-N 2 2 315.486 3.112 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](CCc3nsc4ccccc43)C[C@]2(C)C1 ZINC000931316546 656205617 /nfs/dbraw/zinc/20/56/17/656205617.db2.gz JDSKHCLWNNTVGE-HDICACEKSA-N 2 2 315.486 3.112 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](CCc3nsc4ccccc43)C[C@]2(C)C1 ZINC000931316546 656205620 /nfs/dbraw/zinc/20/56/20/656205620.db2.gz JDSKHCLWNNTVGE-HDICACEKSA-N 2 2 315.486 3.112 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](CCc3nsc4ccccc43)C[C@]2(C)C1 ZINC000931316546 656205621 /nfs/dbraw/zinc/20/56/21/656205621.db2.gz JDSKHCLWNNTVGE-HDICACEKSA-N 2 2 315.486 3.112 20 0 DGADLP CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237327 656657033 /nfs/dbraw/zinc/65/70/33/656657033.db2.gz YOVBYFVVYOZFIR-CVEARBPZSA-N 2 2 303.450 3.047 20 0 DGADLP CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237330 656657068 /nfs/dbraw/zinc/65/70/68/656657068.db2.gz YOVBYFVVYOZFIR-HZPDHXFCSA-N 2 2 303.450 3.047 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C(C)C)c(C)[nH+]1 ZINC001037216152 657608077 /nfs/dbraw/zinc/60/80/77/657608077.db2.gz QFTVBIJMGVESGH-DLBZAZTESA-N 2 2 317.477 3.293 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000252955631 657643873 /nfs/dbraw/zinc/64/38/73/657643873.db2.gz IXJMRVXZQKBGFG-WZRBSPASSA-N 2 2 317.260 3.411 20 0 DGADLP CCC[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000964453439 658279171 /nfs/dbraw/zinc/27/91/71/658279171.db2.gz AOMSECPNIZLWJE-UHFFFAOYSA-N 2 2 315.461 3.047 20 0 DGADLP CCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001037893550 658502363 /nfs/dbraw/zinc/50/23/63/658502363.db2.gz QRJMHJYEHKPVFC-IRXDYDNUSA-N 2 2 317.477 3.247 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC(F)(F)F)CC2)cc1 ZINC000165486004 658991755 /nfs/dbraw/zinc/99/17/55/658991755.db2.gz PMXYQPQOBDWFPI-UHFFFAOYSA-N 2 2 315.383 3.263 20 0 DGADLP Oc1cccc(/C=[NH+]/CC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000063427697 659385970 /nfs/dbraw/zinc/38/59/70/659385970.db2.gz NMQMBHWBPSSJKW-KGENOOAVSA-N 2 2 324.424 3.429 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(CO)c1 ZINC000183238089 660105762 /nfs/dbraw/zinc/10/57/62/660105762.db2.gz YBBVEPHXPARHSY-OAHLLOKOSA-N 2 2 307.397 3.215 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929690334 661328635 /nfs/dbraw/zinc/32/86/35/661328635.db2.gz PFAQESSELBUCOZ-ZNMIVQPWSA-N 2 2 320.399 3.047 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929690334 661328637 /nfs/dbraw/zinc/32/86/37/661328637.db2.gz PFAQESSELBUCOZ-ZNMIVQPWSA-N 2 2 320.399 3.047 20 0 DGADLP C(C1CCC2(CC2)CC1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000930318669 661388427 /nfs/dbraw/zinc/38/84/27/661388427.db2.gz AXNLITGSWFDIJZ-GOSISDBHSA-N 2 2 306.494 3.144 20 0 DGADLP C(C1CCC2(CC2)CC1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000930318669 661388430 /nfs/dbraw/zinc/38/84/30/661388430.db2.gz AXNLITGSWFDIJZ-GOSISDBHSA-N 2 2 306.494 3.144 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cc(F)cc4cccnc43)C[C@]2(C)C1 ZINC000931307010 661465634 /nfs/dbraw/zinc/46/56/34/661465634.db2.gz NFVAPRWSLDCCSS-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](Cc3cc(F)cc4cccnc43)C[C@]2(C)C1 ZINC000931307010 661465636 /nfs/dbraw/zinc/46/56/36/661465636.db2.gz NFVAPRWSLDCCSS-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](Cc3cc(F)cc4cccnc43)C[C@]2(C)C1 ZINC000931307010 661465639 /nfs/dbraw/zinc/46/56/39/661465639.db2.gz NFVAPRWSLDCCSS-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3cc(F)cc4cccnc43)C[C@]2(C)C1 ZINC000931307010 661465642 /nfs/dbraw/zinc/46/56/42/661465642.db2.gz NFVAPRWSLDCCSS-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](C[C@H](O)c3cccc4ccccc43)C[C@]2(C)C1 ZINC000931314922 661466295 /nfs/dbraw/zinc/46/62/95/661466295.db2.gz SFMGQABSVWKNRO-ACRUOGEOSA-N 2 2 324.468 3.147 20 0 DGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511082 661483876 /nfs/dbraw/zinc/48/38/76/661483876.db2.gz JYVSMRIDYAJJMW-LLVKDONJSA-N 2 2 319.355 3.385 20 0 DGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511082 661483877 /nfs/dbraw/zinc/48/38/77/661483877.db2.gz JYVSMRIDYAJJMW-LLVKDONJSA-N 2 2 319.355 3.385 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933241256 661625051 /nfs/dbraw/zinc/62/50/51/661625051.db2.gz JWGLDOHDMVBJOJ-HNNXBMFYSA-N 2 2 318.383 3.060 20 0 DGADLP CCC[N@H+](CCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934191212 661685699 /nfs/dbraw/zinc/68/56/99/661685699.db2.gz NRHGPKCTLABPTA-UHFFFAOYSA-N 2 2 304.478 3.136 20 0 DGADLP CCC[N@@H+](CCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934191212 661685700 /nfs/dbraw/zinc/68/57/00/661685700.db2.gz NRHGPKCTLABPTA-UHFFFAOYSA-N 2 2 304.478 3.136 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000191287007 662058616 /nfs/dbraw/zinc/05/86/16/662058616.db2.gz SYVZTFFRFZCQLO-GHMZBOCLSA-N 2 2 300.805 3.147 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccc(C(F)(F)F)c1 ZINC000392938405 685216272 /nfs/dbraw/zinc/21/62/72/685216272.db2.gz YFVNDNRVSYNLSO-AUUNLFOPSA-N 2 2 310.363 3.352 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]([NH2+]C(C)C)C23CCC3)c(C)[nH+]1 ZINC001078684841 687703400 /nfs/dbraw/zinc/70/34/00/687703400.db2.gz BYMTYLIBAVJELO-JKSUJKDBSA-N 2 2 315.461 3.046 20 0 DGADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001078685705 687703488 /nfs/dbraw/zinc/70/34/88/687703488.db2.gz QJWWOLNDAWLWSW-JKSUJKDBSA-N 2 2 315.461 3.047 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C[NH2+]CCO1 ZINC001576526492 1191838241 /nfs/dbraw/zinc/83/82/41/1191838241.db2.gz UAZFDVVYMPSHSG-QGZVFWFLSA-N 2 2 320.433 3.022 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccc(Cl)c(F)c2)[C@H]1C ZINC001576652171 1191859563 /nfs/dbraw/zinc/85/95/63/1191859563.db2.gz TYSKRXQHJYARRD-AGIUHOORSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccc(Cl)c(F)c2)[C@H]1C ZINC001576652171 1191859566 /nfs/dbraw/zinc/85/95/66/1191859566.db2.gz TYSKRXQHJYARRD-AGIUHOORSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccc(Br)cc2)C[NH2+]1 ZINC001576669918 1191860492 /nfs/dbraw/zinc/86/04/92/1191860492.db2.gz CFSASKPFTYJWQF-QADGWQRPSA-N 2 2 309.251 3.192 20 0 DGADLP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccc(Cl)nc1Cl ZINC001576690289 1191862798 /nfs/dbraw/zinc/86/27/98/1191862798.db2.gz IUPVIJBJNCUHNF-HZMBPMFUSA-N 2 2 302.249 3.386 20 0 DGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2O1 ZINC001576863700 1191872788 /nfs/dbraw/zinc/87/27/88/1191872788.db2.gz XLKVEHBZWFMIMK-ZTFGCOKTSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2O1 ZINC001576863700 1191872809 /nfs/dbraw/zinc/87/28/09/1191872809.db2.gz XLKVEHBZWFMIMK-ZTFGCOKTSA-N 2 2 300.446 3.117 20 0 DGADLP CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001577590808 1191908792 /nfs/dbraw/zinc/90/87/92/1191908792.db2.gz PDWFLPZFKACSJA-SJLPKXTDSA-N 2 2 320.477 3.141 20 0 DGADLP CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001577736976 1191914600 /nfs/dbraw/zinc/91/46/00/1191914600.db2.gz JNNCZJNIPNTJTR-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001577736976 1191914603 /nfs/dbraw/zinc/91/46/03/1191914603.db2.gz JNNCZJNIPNTJTR-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CCn1cc(C[NH2+]C[C@H]2CCCCC[NH2+]2)c(-c2ccccc2)n1 ZINC001578347669 1191938721 /nfs/dbraw/zinc/93/87/21/1191938721.db2.gz BAKUMNYLAOYCJH-GOSISDBHSA-N 2 2 312.461 3.192 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CCCC2 ZINC001579178749 1191968331 /nfs/dbraw/zinc/96/83/31/1191968331.db2.gz CIVKKGVZSPGVJC-FRFSOERESA-N 2 2 318.461 3.201 20 0 DGADLP COc1cccc(Sc2ccccc2C[NH2+][C@H](C)C[NH3+])c1 ZINC001579285995 1191972223 /nfs/dbraw/zinc/97/22/23/1191972223.db2.gz WUZWXMZJEHIJHK-CYBMUJFWSA-N 2 2 302.443 3.283 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c(N2CCCC2)n1 ZINC001579696866 1191987761 /nfs/dbraw/zinc/98/77/61/1191987761.db2.gz KGTDRYIVMCQNOY-KRWDZBQOSA-N 2 2 318.509 3.233 20 0 DGADLP Clc1ccnc(Cl)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001579938190 1192000027 /nfs/dbraw/zinc/00/00/27/1192000027.db2.gz CAFBXKIGTUQFOA-LBPRGKRZSA-N 2 2 314.260 3.210 20 0 DGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1C ZINC001579884302 1191997723 /nfs/dbraw/zinc/99/77/23/1191997723.db2.gz YXGDKNMICZMAAB-JFIYKMOQSA-N 2 2 310.445 3.289 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2OC(F)F)CCCCC1 ZINC001580152282 1192010583 /nfs/dbraw/zinc/01/05/83/1192010583.db2.gz CPIJCIGMJCQJEK-UHFFFAOYSA-N 2 2 302.340 3.178 20 0 DGADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253530 1192016206 /nfs/dbraw/zinc/01/62/06/1192016206.db2.gz OIBQMIIFXSQUDW-QFBILLFUSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253530 1192016209 /nfs/dbraw/zinc/01/62/09/1192016209.db2.gz OIBQMIIFXSQUDW-QFBILLFUSA-N 2 2 309.413 3.187 20 0 DGADLP Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)c2c(n1)CCCC2 ZINC001620826508 1192229079 /nfs/dbraw/zinc/22/90/79/1192229079.db2.gz KSPMBFRRFGTKDO-UHFFFAOYSA-N 2 2 310.445 3.256 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC2 ZINC000378923554 1176749855 /nfs/dbraw/zinc/74/98/55/1176749855.db2.gz QSIHNZCFVQXXIC-MSOLQXFVSA-N 2 2 304.478 3.118 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)[nH+]c1C ZINC001330971570 1178102254 /nfs/dbraw/zinc/10/22/54/1178102254.db2.gz UWEAMQIKPHYUCJ-MRXNPFEDSA-N 2 2 324.428 3.022 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)cc2)[nH+]c1C ZINC001331419653 1178209242 /nfs/dbraw/zinc/20/92/42/1178209242.db2.gz NDWLPLZUUMHPEP-HUUCEWRRSA-N 2 2 312.417 3.005 20 0 DGADLP Cc1cc(C[NH3+])oc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001331435016 1178212662 /nfs/dbraw/zinc/21/26/62/1178212662.db2.gz OKBZVCZUPZLHNL-UHFFFAOYSA-N 2 2 321.808 3.014 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001333021083 1178540222 /nfs/dbraw/zinc/54/02/22/1178540222.db2.gz BORAPXXRSWMQSH-HOTGVXAUSA-N 2 2 305.466 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001333021083 1178540224 /nfs/dbraw/zinc/54/02/24/1178540224.db2.gz BORAPXXRSWMQSH-HOTGVXAUSA-N 2 2 305.466 3.022 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC001334742870 1178789943 /nfs/dbraw/zinc/78/99/43/1178789943.db2.gz LKRMLYNGJSERAM-IAOVAPTHSA-N 2 2 306.425 3.235 20 0 DGADLP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001342323968 1179130133 /nfs/dbraw/zinc/13/01/33/1179130133.db2.gz DWDAJPXZSMDMKV-XUVXKRRUSA-N 2 2 315.505 3.113 20 0 DGADLP Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nc(C2CCC2)[nH+]1 ZINC001343306224 1179253828 /nfs/dbraw/zinc/25/38/28/1179253828.db2.gz PCMGCFLYSTVIHI-BBWFWOEESA-N 2 2 314.477 3.219 20 0 DGADLP O=c1[nH]c2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc2o1 ZINC001621057609 1192987202 /nfs/dbraw/zinc/98/72/02/1192987202.db2.gz LUIIATBMPMCZKC-UHFFFAOYSA-N 2 2 320.352 3.009 20 0 DGADLP COCC[N@H+](C)CCCC1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001354139652 1180729822 /nfs/dbraw/zinc/72/98/22/1180729822.db2.gz IFAJXAQEGJPUJK-UHFFFAOYSA-N 2 2 323.456 3.104 20 0 DGADLP COCC[N@@H+](C)CCCC1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001354139652 1180729827 /nfs/dbraw/zinc/72/98/27/1180729827.db2.gz IFAJXAQEGJPUJK-UHFFFAOYSA-N 2 2 323.456 3.104 20 0 DGADLP c1cn(CCCC2CC[NH+](CCCc3cccnc3)CC2)c[nH+]1 ZINC001354592008 1180846590 /nfs/dbraw/zinc/84/65/90/1180846590.db2.gz YRIXOHJZZXQULS-UHFFFAOYSA-N 2 2 312.461 3.403 20 0 DGADLP Cc1cc2sc(NCC[N@@H+](C)CCC[NH+](C)C)nc2c(C)c1 ZINC001472828918 1180895838 /nfs/dbraw/zinc/89/58/38/1180895838.db2.gz SBQKJEJNAMLTMQ-UHFFFAOYSA-N 2 2 320.506 3.209 20 0 DGADLP Cc1cc2sc(NCC[N@H+](C)CCC[NH+](C)C)nc2c(C)c1 ZINC001472828918 1180895849 /nfs/dbraw/zinc/89/58/49/1180895849.db2.gz SBQKJEJNAMLTMQ-UHFFFAOYSA-N 2 2 320.506 3.209 20 0 DGADLP CCN(CC[NH2+]CCC(C)C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568761622 1181701295 /nfs/dbraw/zinc/70/12/95/1181701295.db2.gz NQNGGLMGSRKECD-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2F)CCN1c1cc[nH+]cc1 ZINC001460712698 1182712230 /nfs/dbraw/zinc/71/22/30/1182712230.db2.gz WMQGXWMVJHTEBC-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CCN1c1cc[nH+]cc1 ZINC001460712698 1182712234 /nfs/dbraw/zinc/71/22/34/1182712234.db2.gz WMQGXWMVJHTEBC-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974839 1182748744 /nfs/dbraw/zinc/74/87/44/1182748744.db2.gz PFXCYWDKYQIYBG-OWCLPIDISA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974839 1182748745 /nfs/dbraw/zinc/74/87/45/1182748745.db2.gz PFXCYWDKYQIYBG-OWCLPIDISA-N 2 2 305.466 3.385 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001460995274 1182753514 /nfs/dbraw/zinc/75/35/14/1182753514.db2.gz LCAYNVVVQWFKBE-GOSISDBHSA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001460995274 1182753517 /nfs/dbraw/zinc/75/35/17/1182753517.db2.gz LCAYNVVVQWFKBE-GOSISDBHSA-N 2 2 304.478 3.256 20 0 DGADLP C(=C\c1ccccc1)\C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001461063164 1182763286 /nfs/dbraw/zinc/76/32/86/1182763286.db2.gz YEEXRBNQXLJZRS-YHYXMXQVSA-N 2 2 322.452 3.322 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001461178760 1182778452 /nfs/dbraw/zinc/77/84/52/1182778452.db2.gz HNNPIGVGRNVBBA-KRWDZBQOSA-N 2 2 304.478 3.264 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001461178760 1182778458 /nfs/dbraw/zinc/77/84/58/1182778458.db2.gz HNNPIGVGRNVBBA-KRWDZBQOSA-N 2 2 304.478 3.264 20 0 DGADLP C[C@H](CCc1cccn1C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461209826 1182782089 /nfs/dbraw/zinc/78/20/89/1182782089.db2.gz NXHCKVAAQVKFLB-CQSZACIVSA-N 2 2 314.458 3.383 20 0 DGADLP CCn1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC001461407614 1182807457 /nfs/dbraw/zinc/80/74/57/1182807457.db2.gz WGKVKOJZWKAWEJ-AWEZNQCLSA-N 2 2 309.417 3.248 20 0 DGADLP Fc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001461641614 1182836424 /nfs/dbraw/zinc/83/64/24/1182836424.db2.gz GGQAFZSLYMZOSR-KRWDZBQOSA-N 2 2 323.371 3.105 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2N(C)C)CC1 ZINC001461943901 1182883475 /nfs/dbraw/zinc/88/34/75/1182883475.db2.gz LTVGBFCOPXDFIP-UHFFFAOYSA-N 2 2 307.457 3.198 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2N(C)C)CC1 ZINC001461943901 1182883480 /nfs/dbraw/zinc/88/34/80/1182883480.db2.gz LTVGBFCOPXDFIP-UHFFFAOYSA-N 2 2 307.457 3.198 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc2c1OC(F)(F)O2 ZINC001462203545 1182924008 /nfs/dbraw/zinc/92/40/08/1182924008.db2.gz YINJEKXVQNBPQH-UHFFFAOYSA-N 2 2 314.376 3.172 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2c1OC(F)(F)O2 ZINC001462203545 1182924010 /nfs/dbraw/zinc/92/40/10/1182924010.db2.gz YINJEKXVQNBPQH-UHFFFAOYSA-N 2 2 314.376 3.172 20 0 DGADLP Cc1cccn2cc(CCNc3cc[nH+]cc3C(F)(F)F)[nH+]c12 ZINC001472714069 1183671061 /nfs/dbraw/zinc/67/10/61/1183671061.db2.gz FGKNXOIJVAUIPP-UHFFFAOYSA-N 2 2 320.318 3.133 20 0 DGADLP CC(C)C[N@@H+]1CC[C@@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001472730660 1183673940 /nfs/dbraw/zinc/67/39/40/1183673940.db2.gz RXHRGEBSINFASD-HNNXBMFYSA-N 2 2 323.444 3.272 20 0 DGADLP CC(C)C[N@H+]1CC[C@@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001472730660 1183673944 /nfs/dbraw/zinc/67/39/44/1183673944.db2.gz RXHRGEBSINFASD-HNNXBMFYSA-N 2 2 323.444 3.272 20 0 DGADLP Cc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC001472883591 1183695061 /nfs/dbraw/zinc/69/50/61/1183695061.db2.gz AHYPASGXROUWIY-KRWDZBQOSA-N 2 2 308.429 3.203 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716299 1183793464 /nfs/dbraw/zinc/79/34/64/1183793464.db2.gz DAFBDICQMDBCBK-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716299 1183793466 /nfs/dbraw/zinc/79/34/66/1183793466.db2.gz DAFBDICQMDBCBK-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP Cc1[nH]c([C@@H]2CCCN2CC[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC001473789972 1183803052 /nfs/dbraw/zinc/80/30/52/1183803052.db2.gz AFKCGSWVWUIRNC-SFHVURJKSA-N 2 2 312.461 3.295 20 0 DGADLP Cc1[nH]c([C@@H]2CCCN2CC[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC001473789972 1183803054 /nfs/dbraw/zinc/80/30/54/1183803054.db2.gz AFKCGSWVWUIRNC-SFHVURJKSA-N 2 2 312.461 3.295 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)C[C@]2(C)C1 ZINC001473842852 1183810773 /nfs/dbraw/zinc/81/07/73/1183810773.db2.gz ZOTPPSGYNXOECM-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)C[C@]2(C)C1 ZINC001473842852 1183810781 /nfs/dbraw/zinc/81/07/81/1183810781.db2.gz ZOTPPSGYNXOECM-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)C[C@]2(C)C1 ZINC001473842852 1183810787 /nfs/dbraw/zinc/81/07/87/1183810787.db2.gz ZOTPPSGYNXOECM-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)C[C@]2(C)C1 ZINC001473842852 1183810795 /nfs/dbraw/zinc/81/07/95/1183810795.db2.gz ZOTPPSGYNXOECM-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001473894126 1183820432 /nfs/dbraw/zinc/82/04/32/1183820432.db2.gz GALREDRNXNZLCM-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC001473908168 1183824488 /nfs/dbraw/zinc/82/44/88/1183824488.db2.gz CDGWQLKINLHDLH-UHFFFAOYSA-N 2 2 306.376 3.030 20 0 DGADLP Cc1nc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC001473924252 1183828117 /nfs/dbraw/zinc/82/81/17/1183828117.db2.gz RJGMVRKTHINYAM-UHFFFAOYSA-N 2 2 304.444 3.031 20 0 DGADLP CC(C)n1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC001473955570 1183837255 /nfs/dbraw/zinc/83/72/55/1183837255.db2.gz HCAJYAMIKFUGPX-UHFFFAOYSA-N 2 2 313.380 3.079 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC001474194801 1183879812 /nfs/dbraw/zinc/87/98/12/1183879812.db2.gz BJNSUQIWYWAFIN-RBUKOAKNSA-N 2 2 301.478 3.387 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC001474194801 1183879815 /nfs/dbraw/zinc/87/98/15/1183879815.db2.gz BJNSUQIWYWAFIN-RBUKOAKNSA-N 2 2 301.478 3.387 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC001474201120 1183881331 /nfs/dbraw/zinc/88/13/31/1183881331.db2.gz ZPPUUERHTULBDO-UHFFFAOYSA-N 2 2 318.383 3.495 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC001474201120 1183881336 /nfs/dbraw/zinc/88/13/36/1183881336.db2.gz ZPPUUERHTULBDO-UHFFFAOYSA-N 2 2 318.383 3.495 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001474220211 1183884658 /nfs/dbraw/zinc/88/46/58/1183884658.db2.gz AKCZTPYCDFNLMT-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001474220211 1183884662 /nfs/dbraw/zinc/88/46/62/1183884662.db2.gz AKCZTPYCDFNLMT-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001474304301 1183900870 /nfs/dbraw/zinc/90/08/70/1183900870.db2.gz NWQVEKIJISLFCT-OAHLLOKOSA-N 2 2 300.450 3.287 20 0 DGADLP CNc1ccc(C)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001474413823 1183916952 /nfs/dbraw/zinc/91/69/52/1183916952.db2.gz ZIMKSPOREFXCHB-UHFFFAOYSA-N 2 2 301.478 3.487 20 0 DGADLP CO[C@](C)(C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC001474464832 1183925562 /nfs/dbraw/zinc/92/55/62/1183925562.db2.gz GFCHOJZFAIQHHM-WOJBJXKFSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@](C)(C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC001474464832 1183925565 /nfs/dbraw/zinc/92/55/65/1183925565.db2.gz GFCHOJZFAIQHHM-WOJBJXKFSA-N 2 2 316.489 3.302 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495716 1183930940 /nfs/dbraw/zinc/93/09/40/1183930940.db2.gz BOUXCGQWVCBTMF-IXDOHACOSA-N 2 2 308.510 3.434 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495716 1183930942 /nfs/dbraw/zinc/93/09/42/1183930942.db2.gz BOUXCGQWVCBTMF-IXDOHACOSA-N 2 2 308.510 3.434 20 0 DGADLP COC1CC(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001474546632 1183938266 /nfs/dbraw/zinc/93/82/66/1183938266.db2.gz NTGLJCFGVHHUPD-UHFFFAOYSA-N 2 2 305.809 3.040 20 0 DGADLP CCCCCC[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001493636295 1184721180 /nfs/dbraw/zinc/72/11/80/1184721180.db2.gz XNPRVGPAJGXFIZ-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCCC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001497232545 1185301037 /nfs/dbraw/zinc/30/10/37/1185301037.db2.gz FOUYYLTZWNSAAN-CQSZACIVSA-N 2 2 305.466 3.295 20 0 DGADLP CCC[NH2+][C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001506377816 1186217865 /nfs/dbraw/zinc/21/78/65/1186217865.db2.gz DXADUHJZJLTSTH-HNNXBMFYSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)c2)[nH+]c1C ZINC001521455272 1187023988 /nfs/dbraw/zinc/02/39/88/1187023988.db2.gz UCDHSYBOYIBOAG-IAQYHMDHSA-N 2 2 312.417 3.020 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001548337690 1188456440 /nfs/dbraw/zinc/45/64/40/1188456440.db2.gz LZAALUOPWKBGHL-HOTGVXAUSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001548337690 1188456441 /nfs/dbraw/zinc/45/64/41/1188456441.db2.gz LZAALUOPWKBGHL-HOTGVXAUSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC001548835087 1188463959 /nfs/dbraw/zinc/46/39/59/1188463959.db2.gz FFKKYIRKDIXEPD-ZDUSSCGKSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC001548835087 1188463962 /nfs/dbraw/zinc/46/39/62/1188463962.db2.gz FFKKYIRKDIXEPD-ZDUSSCGKSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC001548842814 1188464597 /nfs/dbraw/zinc/46/45/97/1188464597.db2.gz LDIZLNWHVFTFLC-LBPRGKRZSA-N 2 2 305.809 3.159 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC001548842814 1188464603 /nfs/dbraw/zinc/46/46/03/1188464603.db2.gz LDIZLNWHVFTFLC-LBPRGKRZSA-N 2 2 305.809 3.159 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)cc1 ZINC001548960559 1188485130 /nfs/dbraw/zinc/48/51/30/1188485130.db2.gz PSGVKDROXBQFFT-JVPBZIDWSA-N 2 2 312.461 3.031 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@H+]2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)cc1 ZINC001548960559 1188485132 /nfs/dbraw/zinc/48/51/32/1188485132.db2.gz PSGVKDROXBQFFT-JVPBZIDWSA-N 2 2 312.461 3.031 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001549006608 1188486603 /nfs/dbraw/zinc/48/66/03/1188486603.db2.gz GARYMGHGMOIGQL-NWDGAFQWSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001549006608 1188486605 /nfs/dbraw/zinc/48/66/05/1188486605.db2.gz GARYMGHGMOIGQL-NWDGAFQWSA-N 2 2 302.249 3.183 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC001549087689 1188493345 /nfs/dbraw/zinc/49/33/45/1188493345.db2.gz XQOGBVVQUFHCBS-BLLLJJGKSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1csc(-c3cccs3)n1)C2 ZINC001549087689 1188493351 /nfs/dbraw/zinc/49/33/51/1188493351.db2.gz XQOGBVVQUFHCBS-BLLLJJGKSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001549284535 1188510359 /nfs/dbraw/zinc/51/03/59/1188510359.db2.gz QKPYCWPURGWTFL-FVQBIDKESA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001549284535 1188510362 /nfs/dbraw/zinc/51/03/62/1188510362.db2.gz QKPYCWPURGWTFL-FVQBIDKESA-N 2 2 312.379 3.378 20 0 DGADLP COCc1csc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001549368213 1188514605 /nfs/dbraw/zinc/51/46/05/1188514605.db2.gz MZUNUZBTGKHHTE-CQSZACIVSA-N 2 2 305.447 3.008 20 0 DGADLP COCc1csc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001549368213 1188514609 /nfs/dbraw/zinc/51/46/09/1188514609.db2.gz MZUNUZBTGKHHTE-CQSZACIVSA-N 2 2 305.447 3.008 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)[nH+]c1C ZINC001550217145 1188594727 /nfs/dbraw/zinc/59/47/27/1188594727.db2.gz BJSBJWRYTOZNBY-GOSISDBHSA-N 2 2 312.417 3.164 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@]34CCC[C@@H]3C[NH2+]C4)cc2)[nH+]c1C ZINC001550217971 1188595210 /nfs/dbraw/zinc/59/52/10/1188595210.db2.gz HUIRHUMVLTZISR-BEFAXECRSA-N 2 2 324.428 3.022 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001562901292 1188647229 /nfs/dbraw/zinc/64/72/29/1188647229.db2.gz KFDZCGOCAXWAET-CYBMUJFWSA-N 2 2 306.454 3.249 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCCc2cc(Cl)ncc21 ZINC001551377413 1188732219 /nfs/dbraw/zinc/73/22/19/1188732219.db2.gz HUVOBDIWEPXFRF-SOLBZPMBSA-N 2 2 313.832 3.327 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001551379630 1188732778 /nfs/dbraw/zinc/73/27/78/1188732778.db2.gz ZESNCYQMSYHYQJ-BVLKHBOUSA-N 2 2 322.452 3.402 20 0 DGADLP COc1ccc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1Cl ZINC001551404303 1188738386 /nfs/dbraw/zinc/73/83/86/1188738386.db2.gz WLXIJXQPWVNTGJ-RDJZCZTQSA-N 2 2 302.805 3.063 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001552312834 1188835245 /nfs/dbraw/zinc/83/52/45/1188835245.db2.gz KSBMCJDQYKRMML-FYQPLNBISA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001552312834 1188835248 /nfs/dbraw/zinc/83/52/48/1188835248.db2.gz KSBMCJDQYKRMML-FYQPLNBISA-N 2 2 314.473 3.371 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)c2)[nH+]c1C ZINC001552831401 1188874213 /nfs/dbraw/zinc/87/42/13/1188874213.db2.gz NHRDMFSWNLZFDX-QFBILLFUSA-N 2 2 324.428 3.164 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC001553747423 1188949645 /nfs/dbraw/zinc/94/96/45/1188949645.db2.gz UBGDWHZOBXAVCM-CYBMUJFWSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001553747423 1188949649 /nfs/dbraw/zinc/94/96/49/1188949649.db2.gz UBGDWHZOBXAVCM-CYBMUJFWSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC001553864687 1188952614 /nfs/dbraw/zinc/95/26/14/1188952614.db2.gz QRNWYNHLSYIPNX-GFCCVEGCSA-N 2 2 314.364 3.080 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC001553864687 1188952617 /nfs/dbraw/zinc/95/26/17/1188952617.db2.gz QRNWYNHLSYIPNX-GFCCVEGCSA-N 2 2 314.364 3.080 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001553898899 1188955688 /nfs/dbraw/zinc/95/56/88/1188955688.db2.gz YKFWQAOCSBPTEM-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001553898899 1188955689 /nfs/dbraw/zinc/95/56/89/1188955689.db2.gz YKFWQAOCSBPTEM-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cc1nc(NCCC[NH+]2CCC(C)CC2)c2c([nH+]1)CCCC2 ZINC001559056053 1189166450 /nfs/dbraw/zinc/16/64/50/1189166450.db2.gz OUEKUWHYRVOJIK-UHFFFAOYSA-N 2 2 302.466 3.198 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001559121214 1189172528 /nfs/dbraw/zinc/17/25/28/1189172528.db2.gz MUUQJCBCFITKQO-ZIAGYGMSSA-N 2 2 309.417 3.167 20 0 DGADLP c1cn(C2CC[NH+](C[C@@H]3CC4(CO3)CCCCC4)CC2)c[nH+]1 ZINC001559580267 1189219561 /nfs/dbraw/zinc/21/95/61/1189219561.db2.gz IELYACSMXHGNFZ-KRWDZBQOSA-N 2 2 303.450 3.259 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)[C@@H]1OC ZINC001559812855 1189244961 /nfs/dbraw/zinc/24/49/61/1189244961.db2.gz MXKHQBSMLUSTQX-ILOCAZANSA-N 2 2 310.526 3.394 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)[C@@H]1OC ZINC001559812855 1189244966 /nfs/dbraw/zinc/24/49/66/1189244966.db2.gz MXKHQBSMLUSTQX-ILOCAZANSA-N 2 2 310.526 3.394 20 0 DGADLP c1cn(C[C@H]([NH2+]CCSc2ccncc2)c2ccccc2)c[nH+]1 ZINC001560098761 1189278722 /nfs/dbraw/zinc/27/87/22/1189278722.db2.gz QYKBUXNBGQHIOO-SFHVURJKSA-N 2 2 324.453 3.401 20 0 DGADLP CCC[N@H+](C[C@@H](C)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560218934 1189292639 /nfs/dbraw/zinc/29/26/39/1189292639.db2.gz CODJSBIROXMLTC-QGZVFWFLSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[N@@H+](C[C@@H](C)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560218934 1189292641 /nfs/dbraw/zinc/29/26/41/1189292641.db2.gz CODJSBIROXMLTC-QGZVFWFLSA-N 2 2 304.478 3.398 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001560235367 1189295409 /nfs/dbraw/zinc/29/54/09/1189295409.db2.gz IMXQADGZVAEETG-GPMSIDNRSA-N 2 2 317.477 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001560235367 1189295412 /nfs/dbraw/zinc/29/54/12/1189295412.db2.gz IMXQADGZVAEETG-GPMSIDNRSA-N 2 2 317.477 3.244 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001560245756 1189298346 /nfs/dbraw/zinc/29/83/46/1189298346.db2.gz PYKQHXBKDYDNGM-FQEVSTJZSA-N 2 2 316.489 3.012 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001560245756 1189298350 /nfs/dbraw/zinc/29/83/50/1189298350.db2.gz PYKQHXBKDYDNGM-FQEVSTJZSA-N 2 2 316.489 3.012 20 0 DGADLP Fc1cccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001560282200 1189305448 /nfs/dbraw/zinc/30/54/48/1189305448.db2.gz ZRDJCEYVACKOCU-UHFFFAOYSA-N 2 2 317.389 3.242 20 0 DGADLP CCc1nc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC001560306197 1189308386 /nfs/dbraw/zinc/30/83/86/1189308386.db2.gz VXEVBGJPGXMJGO-UHFFFAOYSA-N 2 2 318.471 3.285 20 0 DGADLP CC(C)n1c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)nc2ccccc21 ZINC001560313389 1189310408 /nfs/dbraw/zinc/31/04/08/1189310408.db2.gz WWRCPXIYPVEPDJ-HNNXBMFYSA-N 2 2 311.433 3.240 20 0 DGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001560358603 1189317383 /nfs/dbraw/zinc/31/73/83/1189317383.db2.gz QGAKXRYVIUHNOU-PKOBYXMFSA-N 2 2 313.445 3.413 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccc12 ZINC001560388718 1189321571 /nfs/dbraw/zinc/32/15/71/1189321571.db2.gz MQAMVIRFUKJPOL-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccc12 ZINC001560388718 1189321576 /nfs/dbraw/zinc/32/15/76/1189321576.db2.gz MQAMVIRFUKJPOL-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP Cc1ccsc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001560404251 1189324209 /nfs/dbraw/zinc/32/42/09/1189324209.db2.gz NRZKWULWSRXLOY-OAHLLOKOSA-N 2 2 316.474 3.204 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c(n1)CCCC2 ZINC001560518805 1189335609 /nfs/dbraw/zinc/33/56/09/1189335609.db2.gz JDHOEXWXIQANCI-UXHICEINSA-N 2 2 313.489 3.375 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2c(n1)CCCC2 ZINC001560518805 1189335612 /nfs/dbraw/zinc/33/56/12/1189335612.db2.gz JDHOEXWXIQANCI-UXHICEINSA-N 2 2 313.489 3.375 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884235 1189400062 /nfs/dbraw/zinc/40/00/62/1189400062.db2.gz RCXUYAIERJTTRK-WMLDXEAASA-N 2 2 317.452 3.322 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884235 1189400066 /nfs/dbraw/zinc/40/00/66/1189400066.db2.gz RCXUYAIERJTTRK-WMLDXEAASA-N 2 2 317.452 3.322 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050688 1189426440 /nfs/dbraw/zinc/42/64/40/1189426440.db2.gz DJXDGVGSOYLQLK-WBVHZDCISA-N 2 2 305.466 3.243 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050688 1189426442 /nfs/dbraw/zinc/42/64/42/1189426442.db2.gz DJXDGVGSOYLQLK-WBVHZDCISA-N 2 2 305.466 3.243 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCC1CC[NH+](CC)CC1 ZINC001561059138 1189428877 /nfs/dbraw/zinc/42/88/77/1189428877.db2.gz QCOCKMGIUYNKKP-UHFFFAOYSA-N 2 2 304.413 3.339 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001570621514 1190903553 /nfs/dbraw/zinc/90/35/53/1190903553.db2.gz MIXDBEYAAPCXNR-HUUCEWRRSA-N 2 2 305.466 3.149 20 0 DGADLP CC(C)([NH3+])c1cc(C[NH2+]Cc2ccc(C3CC3)cc2F)on1 ZINC001575365840 1191477002 /nfs/dbraw/zinc/47/70/02/1191477002.db2.gz PJCCQLTYEXRQSF-UHFFFAOYSA-N 2 2 303.381 3.175 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC001576245766 1191546683 /nfs/dbraw/zinc/54/66/83/1191546683.db2.gz RSAVDHSGBWNYRH-NXEZZACHSA-N 2 2 307.385 3.202 20 0 DGADLP CC1(C)CC2(CO1)CCC([NH2+]C[C@H]([NH3+])c1ccccc1)CC2 ZINC001576404509 1191591192 /nfs/dbraw/zinc/59/11/92/1191591192.db2.gz BAURJURIOCCHCI-HFCFLWKCSA-N 2 2 302.462 3.404 20 0 DGADLP CC(C)(C)[C@]1(C[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001621112811 1193766495 /nfs/dbraw/zinc/76/64/95/1193766495.db2.gz IQOATXFTJGQIIF-FQEVSTJZSA-N 2 2 316.489 3.257 20 0 DGADLP CC(C)(C)[C@]1(C[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001621112811 1193766497 /nfs/dbraw/zinc/76/64/97/1193766497.db2.gz IQOATXFTJGQIIF-FQEVSTJZSA-N 2 2 316.489 3.257 20 0 DGADLP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001620680866 1193790126 /nfs/dbraw/zinc/79/01/26/1193790126.db2.gz SXTJZWGENXXASS-HRCADAONSA-N 2 2 305.466 3.243 20 0 DGADLP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001620680866 1193790128 /nfs/dbraw/zinc/79/01/28/1193790128.db2.gz SXTJZWGENXXASS-HRCADAONSA-N 2 2 305.466 3.243 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC001620691896 1193791680 /nfs/dbraw/zinc/79/16/80/1193791680.db2.gz GCYOODLROMOOGF-UXHICEINSA-N 2 2 318.505 3.373 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC001620691896 1193791682 /nfs/dbraw/zinc/79/16/82/1193791682.db2.gz GCYOODLROMOOGF-UXHICEINSA-N 2 2 318.505 3.373 20 0 DGADLP Cc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1Br ZINC001620696265 1193792388 /nfs/dbraw/zinc/79/23/88/1193792388.db2.gz PMYFPCMRFIEKLX-UHFFFAOYSA-N 2 2 313.283 3.435 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H]3C)CC2)c1 ZINC001620705477 1193792960 /nfs/dbraw/zinc/79/29/60/1193792960.db2.gz JZVRYEBWXYTCKY-ICSRJNTNSA-N 2 2 315.505 3.285 20 0 DGADLP COc1ccc(SCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001621113809 1193804848 /nfs/dbraw/zinc/80/48/48/1193804848.db2.gz SGTIUWZKAHGRBD-AWEZNQCLSA-N 2 2 317.458 3.390 20 0 DGADLP COc1ccc(SCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001621113809 1193804850 /nfs/dbraw/zinc/80/48/50/1193804850.db2.gz SGTIUWZKAHGRBD-AWEZNQCLSA-N 2 2 317.458 3.390 20 0 DGADLP Brc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000031995419 1193893778 /nfs/dbraw/zinc/89/37/78/1193893778.db2.gz YYIDSDRLQNDOLW-INIZCTEOSA-N 2 2 323.278 3.415 20 0 DGADLP Brc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000031995419 1193893779 /nfs/dbraw/zinc/89/37/79/1193893779.db2.gz YYIDSDRLQNDOLW-INIZCTEOSA-N 2 2 323.278 3.415 20 0 DGADLP Cc1nc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC001642078285 1194887461 /nfs/dbraw/zinc/88/74/61/1194887461.db2.gz RIYYSTPBOKNOGX-GASCZTMLSA-N 2 2 316.493 3.444 20 0 DGADLP Cc1nc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC001642078285 1194887464 /nfs/dbraw/zinc/88/74/64/1194887464.db2.gz RIYYSTPBOKNOGX-GASCZTMLSA-N 2 2 316.493 3.444 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC001648026536 1195271556 /nfs/dbraw/zinc/27/15/56/1195271556.db2.gz DRFNFOKTRXSLKM-OALUTQOASA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC001648026536 1195271557 /nfs/dbraw/zinc/27/15/57/1195271557.db2.gz DRFNFOKTRXSLKM-OALUTQOASA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001648026536 1195271561 /nfs/dbraw/zinc/27/15/61/1195271561.db2.gz DRFNFOKTRXSLKM-OALUTQOASA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001648026536 1195271565 /nfs/dbraw/zinc/27/15/65/1195271565.db2.gz DRFNFOKTRXSLKM-OALUTQOASA-N 3 2 307.526 3.057 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+](Cc1ccncc1)C2 ZINC001648035634 1195272148 /nfs/dbraw/zinc/27/21/48/1195272148.db2.gz NYMUYTHXURPPBD-NHCUHLMSSA-N 2 2 321.468 3.426 20 0 DGADLP Cc1ccnc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001648252673 1195287264 /nfs/dbraw/zinc/28/72/64/1195287264.db2.gz PUOBTXBJCPSWLM-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001648252673 1195287266 /nfs/dbraw/zinc/28/72/66/1195287266.db2.gz PUOBTXBJCPSWLM-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001648252673 1195287270 /nfs/dbraw/zinc/28/72/70/1195287270.db2.gz PUOBTXBJCPSWLM-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001648252673 1195287273 /nfs/dbraw/zinc/28/72/73/1195287273.db2.gz PUOBTXBJCPSWLM-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC001648686888 1195322346 /nfs/dbraw/zinc/32/23/46/1195322346.db2.gz NIKVNFIVVAMCGT-UHFFFAOYSA-N 2 2 306.498 3.376 20 0 DGADLP FC(F)COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001650647727 1195369064 /nfs/dbraw/zinc/36/90/64/1195369064.db2.gz QHJKQBBONHLAOM-UHFFFAOYSA-N 2 2 321.371 3.317 20 0 DGADLP CCn1nccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001650824895 1195386973 /nfs/dbraw/zinc/38/69/73/1195386973.db2.gz GSODRUNWESENOJ-IBGZPJMESA-N 2 2 323.444 3.247 20 0 DGADLP CCCC[N@H+](C)C[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001651906730 1195522109 /nfs/dbraw/zinc/52/21/09/1195522109.db2.gz LOKCHJNZDMUEJJ-CQSZACIVSA-N 2 2 311.433 3.415 20 0 DGADLP CCCC[N@@H+](C)C[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001651906730 1195522113 /nfs/dbraw/zinc/52/21/13/1195522113.db2.gz LOKCHJNZDMUEJJ-CQSZACIVSA-N 2 2 311.433 3.415 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001652177379 1195557612 /nfs/dbraw/zinc/55/76/12/1195557612.db2.gz YKGRVQTWEUEYQM-OCCSQVGLSA-N 2 2 324.415 3.413 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001652177379 1195557617 /nfs/dbraw/zinc/55/76/17/1195557617.db2.gz YKGRVQTWEUEYQM-OCCSQVGLSA-N 2 2 324.415 3.413 20 0 DGADLP CCc1nc(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC001652171644 1195558070 /nfs/dbraw/zinc/55/80/70/1195558070.db2.gz VBYIJJFWUKJURB-INIZCTEOSA-N 2 2 310.445 3.231 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)CC(C)(C)C)CC2)c1 ZINC001653329501 1195711331 /nfs/dbraw/zinc/71/13/31/1195711331.db2.gz LBYBDMOQUHYIQX-OAHLLOKOSA-N 2 2 305.466 3.285 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](Cc3ccc(F)c4cccnc34)C[C@@]2(C)C1 ZINC001654414488 1195801162 /nfs/dbraw/zinc/80/11/62/1195801162.db2.gz CLARCGHKLYLODQ-RTBURBONSA-N 2 2 313.420 3.148 20 0 DGADLP CC(C)OCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001654520584 1195812896 /nfs/dbraw/zinc/81/28/96/1195812896.db2.gz LJULIVAHWLBMJQ-PMACEKPBSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000069752127 1195817219 /nfs/dbraw/zinc/81/72/19/1195817219.db2.gz XSKTVDBFZTUUQZ-ZDUSSCGKSA-N 2 2 312.889 3.018 20 0 DGADLP CCCC[N@@H+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[NH+](C)CC ZINC001654866239 1195848822 /nfs/dbraw/zinc/84/88/22/1195848822.db2.gz JUPCBYRQTCRNKV-KRWDZBQOSA-N 2 2 310.482 3.120 20 0 DGADLP CCCC[N@H+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[NH+](C)CC ZINC001654866239 1195848828 /nfs/dbraw/zinc/84/88/28/1195848828.db2.gz JUPCBYRQTCRNKV-KRWDZBQOSA-N 2 2 310.482 3.120 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[N@H+](C)CC ZINC001654866239 1195848834 /nfs/dbraw/zinc/84/88/34/1195848834.db2.gz JUPCBYRQTCRNKV-KRWDZBQOSA-N 2 2 310.482 3.120 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[N@@H+](C)CC ZINC001654866239 1195848838 /nfs/dbraw/zinc/84/88/38/1195848838.db2.gz JUPCBYRQTCRNKV-KRWDZBQOSA-N 2 2 310.482 3.120 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC=CC12CCCCC2 ZINC001655134172 1195881122 /nfs/dbraw/zinc/88/11/22/1195881122.db2.gz UCAKCBABSABVRR-LJQANCHMSA-N 2 2 314.473 3.054 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC=CC12CCCCC2 ZINC001655134172 1195881125 /nfs/dbraw/zinc/88/11/25/1195881125.db2.gz UCAKCBABSABVRR-LJQANCHMSA-N 2 2 314.473 3.054 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC=CC12CCCCC2 ZINC001655134172 1195881129 /nfs/dbraw/zinc/88/11/29/1195881129.db2.gz UCAKCBABSABVRR-LJQANCHMSA-N 2 2 314.473 3.054 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC=CC12CCCCC2 ZINC001655134172 1195881134 /nfs/dbraw/zinc/88/11/34/1195881134.db2.gz UCAKCBABSABVRR-LJQANCHMSA-N 2 2 314.473 3.054 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC001655187817 1195887718 /nfs/dbraw/zinc/88/77/18/1195887718.db2.gz OSSJCQIZQRQLLM-UHFFFAOYSA-N 2 2 319.312 3.496 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001655259566 1195897110 /nfs/dbraw/zinc/89/71/10/1195897110.db2.gz OLFKBYDSQQXJFO-QRQLOZEOSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC001655454889 1195920593 /nfs/dbraw/zinc/92/05/93/1195920593.db2.gz XZQHOPKBVOAGKW-IRXDYDNUSA-N 2 2 317.477 3.114 20 0 DGADLP C[C@]12C[NH+](Cc3cccnc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001655529395 1195928012 /nfs/dbraw/zinc/92/80/12/1195928012.db2.gz QCTQXAZIKBHHKB-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3cccnc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001655529395 1195928014 /nfs/dbraw/zinc/92/80/14/1195928014.db2.gz QCTQXAZIKBHHKB-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC001655529395 1195928017 /nfs/dbraw/zinc/92/80/17/1195928017.db2.gz QCTQXAZIKBHHKB-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC001655529395 1195928020 /nfs/dbraw/zinc/92/80/20/1195928020.db2.gz QCTQXAZIKBHHKB-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC001655908432 1195976345 /nfs/dbraw/zinc/97/63/45/1195976345.db2.gz WZSPIPDSCOHDAZ-UHFFFAOYSA-N 2 2 324.350 3.214 20 0 DGADLP C[C@@H]1CCCC[C@H]1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001655947802 1195981155 /nfs/dbraw/zinc/98/11/55/1195981155.db2.gz PRDBLSJNTPQESU-RYRKJORJSA-N 2 2 316.493 3.460 20 0 DGADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001656078552 1195996023 /nfs/dbraw/zinc/99/60/23/1195996023.db2.gz KPVKZGASVBVNAB-FXAWDEMLSA-N 2 2 316.489 3.435 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001656155048 1196011283 /nfs/dbraw/zinc/01/12/83/1196011283.db2.gz HMOJHINKWXICIW-KRWDZBQOSA-N 2 2 323.444 3.478 20 0 DGADLP C[C@H](CN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159539 1196011913 /nfs/dbraw/zinc/01/19/13/1196011913.db2.gz MWHTVLIFUUBAJE-GGPKGHCWSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159539 1196011915 /nfs/dbraw/zinc/01/19/15/1196011915.db2.gz MWHTVLIFUUBAJE-GGPKGHCWSA-N 2 2 315.505 3.286 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]12CCC[C@H]1OCC2 ZINC001656558842 1196050090 /nfs/dbraw/zinc/05/00/90/1196050090.db2.gz STSWSUXRYSOHSA-RTBURBONSA-N 2 2 311.429 3.263 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]12CCC[C@H]1OCC2 ZINC001656558842 1196050094 /nfs/dbraw/zinc/05/00/94/1196050094.db2.gz STSWSUXRYSOHSA-RTBURBONSA-N 2 2 311.429 3.263 20 0 DGADLP Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656672239 1196060573 /nfs/dbraw/zinc/06/05/73/1196060573.db2.gz QTBPHWAWIUCJII-CQSZACIVSA-N 2 2 319.455 3.127 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C)Cn3cc[nH+]c3)s2)o1 ZINC001656743756 1196067400 /nfs/dbraw/zinc/06/74/00/1196067400.db2.gz UINIWRQAQFPGSX-LLVKDONJSA-N 2 2 302.403 3.086 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC001656823932 1196073894 /nfs/dbraw/zinc/07/38/94/1196073894.db2.gz KZODMMYWELWSIT-HNNXBMFYSA-N 2 2 323.506 3.347 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cccc3c2OCC3)c[nH+]1 ZINC001656958250 1196086957 /nfs/dbraw/zinc/08/69/57/1196086957.db2.gz NESQLXUABMEKJB-UHFFFAOYSA-N 2 2 305.381 3.097 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001657000393 1196091388 /nfs/dbraw/zinc/09/13/88/1196091388.db2.gz QUGIEZBCNAYRMA-ZIAGYGMSSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001657000393 1196091391 /nfs/dbraw/zinc/09/13/91/1196091391.db2.gz QUGIEZBCNAYRMA-ZIAGYGMSSA-N 2 2 307.507 3.089 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(OCC(F)F)c1 ZINC001657157056 1196112107 /nfs/dbraw/zinc/11/21/07/1196112107.db2.gz PURPUQBNYRAKEW-UHFFFAOYSA-N 2 2 321.371 3.081 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1F ZINC001657158864 1196113269 /nfs/dbraw/zinc/11/32/69/1196113269.db2.gz DNDIJDONAREHNG-ZDUSSCGKSA-N 2 2 312.429 3.053 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[NH2+]CCCNc1cccc[nH+]1 ZINC001657355720 1196133924 /nfs/dbraw/zinc/13/39/24/1196133924.db2.gz ZAUJCGZUELQXKY-UHFFFAOYSA-N 2 2 307.401 3.064 20 0 DGADLP CC[C@H](C)C[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001657471925 1196146359 /nfs/dbraw/zinc/14/63/59/1196146359.db2.gz QRLPWKBKOQMPOA-KRWDZBQOSA-N 2 2 304.478 3.387 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001657471925 1196146364 /nfs/dbraw/zinc/14/63/64/1196146364.db2.gz QRLPWKBKOQMPOA-KRWDZBQOSA-N 2 2 304.478 3.387 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001657511890 1196150517 /nfs/dbraw/zinc/15/05/17/1196150517.db2.gz OTHPLDFYYDGYKG-KURKYZTESA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001657511890 1196150519 /nfs/dbraw/zinc/15/05/19/1196150519.db2.gz OTHPLDFYYDGYKG-KURKYZTESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCCOC(F)F)C[N@@H+]1Cc1ccccc1 ZINC001657894567 1196191199 /nfs/dbraw/zinc/19/11/99/1196191199.db2.gz XOQLMOHNTRWMMZ-GDBMZVCRSA-N 2 2 312.404 3.258 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCCOC(F)F)C[N@H+]1Cc1ccccc1 ZINC001657894567 1196191203 /nfs/dbraw/zinc/19/12/03/1196191203.db2.gz XOQLMOHNTRWMMZ-GDBMZVCRSA-N 2 2 312.404 3.258 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C2 ZINC001657917880 1196192908 /nfs/dbraw/zinc/19/29/08/1196192908.db2.gz JBHYVJGDSBOPBV-KRWDZBQOSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C2 ZINC001657917880 1196192911 /nfs/dbraw/zinc/19/29/11/1196192911.db2.gz JBHYVJGDSBOPBV-KRWDZBQOSA-N 2 2 316.489 3.264 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC001657973430 1196198255 /nfs/dbraw/zinc/19/82/55/1196198255.db2.gz MXRAAWUHVXMOTF-GFCCVEGCSA-N 2 2 305.249 3.050 20 0 DGADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(C(C)(C)C)oc1C ZINC001658219055 1196225836 /nfs/dbraw/zinc/22/58/36/1196225836.db2.gz SJGFGDOWZHCRMR-INIZCTEOSA-N 2 2 310.482 3.068 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CC[C@@H](C)[NH+](C)C)s1 ZINC001658367628 1196246721 /nfs/dbraw/zinc/24/67/21/1196246721.db2.gz RIMURTIEGHLPOI-SECBINFHSA-N 2 2 305.285 3.249 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC(CC)([NH+]2CCCC2)CC1 ZINC001658689061 1196287987 /nfs/dbraw/zinc/28/79/87/1196287987.db2.gz KDUCOHNUJSIEOO-UHFFFAOYSA-N 2 2 304.482 3.134 20 0 DGADLP COC1(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCC1 ZINC001659135707 1196349614 /nfs/dbraw/zinc/34/96/14/1196349614.db2.gz YFVLPSFGZUDXSI-QZTJIDSGSA-N 2 2 311.429 3.270 20 0 DGADLP CCCCC[N@H+](CC[NH2+][C@H]1C[C@@H]2COC[C@@H]21)Cc1ccccc1 ZINC001659604891 1196399450 /nfs/dbraw/zinc/39/94/50/1196399450.db2.gz RYRDTCPVGYJLCJ-AABGKKOBSA-N 2 2 316.489 3.303 20 0 DGADLP CCCCC[N@@H+](CC[NH2+][C@H]1C[C@@H]2COC[C@@H]21)Cc1ccccc1 ZINC001659604891 1196399457 /nfs/dbraw/zinc/39/94/57/1196399457.db2.gz RYRDTCPVGYJLCJ-AABGKKOBSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001659652964 1196402889 /nfs/dbraw/zinc/40/28/89/1196402889.db2.gz OUFVVBPXKJETPO-RBUKOAKNSA-N 2 2 315.505 3.223 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2sccc2Br)C1 ZINC001659915245 1196428298 /nfs/dbraw/zinc/42/82/98/1196428298.db2.gz MWRSBHFATQPHQY-LLVKDONJSA-N 2 2 317.296 3.127 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2sccc2Br)C1 ZINC001659915245 1196428306 /nfs/dbraw/zinc/42/83/06/1196428306.db2.gz MWRSBHFATQPHQY-LLVKDONJSA-N 2 2 317.296 3.127 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660371071 1196475887 /nfs/dbraw/zinc/47/58/87/1196475887.db2.gz YSTWXPWJBKGJCH-YJBOKZPZSA-N 2 2 305.466 3.033 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660371071 1196475890 /nfs/dbraw/zinc/47/58/90/1196475890.db2.gz YSTWXPWJBKGJCH-YJBOKZPZSA-N 2 2 305.466 3.033 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC001660677162 1196511487 /nfs/dbraw/zinc/51/14/87/1196511487.db2.gz HMGCUGPGPYFMIO-QGZVFWFLSA-N 2 2 318.509 3.303 20 0 DGADLP CCCc1cccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001660747435 1196519007 /nfs/dbraw/zinc/51/90/07/1196519007.db2.gz BXESKROOBUHFRC-IBGZPJMESA-N 2 2 304.478 3.086 20 0 DGADLP CCCc1cccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001660747435 1196519010 /nfs/dbraw/zinc/51/90/10/1196519010.db2.gz BXESKROOBUHFRC-IBGZPJMESA-N 2 2 304.478 3.086 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC001660805471 1196527993 /nfs/dbraw/zinc/52/79/93/1196527993.db2.gz UPWQFSWWWAFVRJ-UHFFFAOYSA-N 2 2 320.868 3.205 20 0 DGADLP COc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1F ZINC001661284239 1196592233 /nfs/dbraw/zinc/59/22/33/1196592233.db2.gz XOVWTHFWOGRTMD-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP CS[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001661558462 1196618982 /nfs/dbraw/zinc/61/89/82/1196618982.db2.gz WNQBNRWZAUVOGM-QZTJIDSGSA-N 2 2 318.530 3.349 20 0 DGADLP CCc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001662133530 1196684939 /nfs/dbraw/zinc/68/49/39/1196684939.db2.gz RXRXXWBYOXOQQY-AWEZNQCLSA-N 2 2 307.401 3.076 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001662867095 1196764619 /nfs/dbraw/zinc/76/46/19/1196764619.db2.gz FUUVNSKAKFTBHY-LPHOPBHVSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C2 ZINC001663441836 1196868150 /nfs/dbraw/zinc/86/81/50/1196868150.db2.gz GEODZSKEPGTPSF-QGZVFWFLSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C2 ZINC001663441836 1196868156 /nfs/dbraw/zinc/86/81/56/1196868156.db2.gz GEODZSKEPGTPSF-QGZVFWFLSA-N 2 2 316.489 3.264 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)C[NH+]1CCCC1 ZINC000079745802 1196983681 /nfs/dbraw/zinc/98/36/81/1196983681.db2.gz OVVORMUFOODZTB-INIZCTEOSA-N 2 2 319.468 3.247 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001664605443 1197020470 /nfs/dbraw/zinc/02/04/70/1197020470.db2.gz QNCHOUPXXJHWAY-UHFFFAOYSA-N 2 2 323.481 3.088 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001664605443 1197020474 /nfs/dbraw/zinc/02/04/74/1197020474.db2.gz QNCHOUPXXJHWAY-UHFFFAOYSA-N 2 2 323.481 3.088 20 0 DGADLP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810487 1197200589 /nfs/dbraw/zinc/20/05/89/1197200589.db2.gz WYPPXYKOIRSXJF-IYKSTZQJSA-N 2 2 314.433 3.017 20 0 DGADLP CCCCC[NH2+]C/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001668951274 1197434994 /nfs/dbraw/zinc/43/49/94/1197434994.db2.gz SFYAOHZIYDZBDD-HJWRWDBZSA-N 2 2 303.450 3.073 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@@H+](C)CC(C)C)c(C)[nH+]1 ZINC001673455501 1197662948 /nfs/dbraw/zinc/66/29/48/1197662948.db2.gz WNZKEDIELBQUGC-UHFFFAOYSA-N 2 2 305.466 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@H+](C)CC(C)C)c(C)[nH+]1 ZINC001673455501 1197662950 /nfs/dbraw/zinc/66/29/50/1197662950.db2.gz WNZKEDIELBQUGC-UHFFFAOYSA-N 2 2 305.466 3.057 20 0 DGADLP CCCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674687285 1197834291 /nfs/dbraw/zinc/83/42/91/1197834291.db2.gz OIJFSTBFWAYSEN-ZIAGYGMSSA-N 2 2 316.449 3.240 20 0 DGADLP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964199 1197937698 /nfs/dbraw/zinc/93/76/98/1197937698.db2.gz AQPQRZUTRZXZPY-ROJDOSBLSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C/CC[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964199 1197937702 /nfs/dbraw/zinc/93/77/02/1197937702.db2.gz AQPQRZUTRZXZPY-ROJDOSBLSA-N 2 2 317.477 3.413 20 0 DGADLP CCC[N@H+](Cc1ccc(Br)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000091472093 1198418676 /nfs/dbraw/zinc/41/86/76/1198418676.db2.gz NYKZJOBOCVQTFG-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1ccc(Br)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000091472093 1198418680 /nfs/dbraw/zinc/41/86/80/1198418680.db2.gz NYKZJOBOCVQTFG-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092371204 1198564203 /nfs/dbraw/zinc/56/42/03/1198564203.db2.gz ZYKWKICJMJUHFG-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092371204 1198564207 /nfs/dbraw/zinc/56/42/07/1198564207.db2.gz ZYKWKICJMJUHFG-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000098173290 1199203617 /nfs/dbraw/zinc/20/36/17/1199203617.db2.gz DTASWQNAABRISH-MRXNPFEDSA-N 2 2 319.468 3.247 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000098173290 1199203622 /nfs/dbraw/zinc/20/36/22/1199203622.db2.gz DTASWQNAABRISH-MRXNPFEDSA-N 2 2 319.468 3.247 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000305777117 1199689421 /nfs/dbraw/zinc/68/94/21/1199689421.db2.gz PEFFYNLIUXWZAR-QGZVFWFLSA-N 2 2 310.869 3.083 20 0 DGADLP CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000430924724 1199830296 /nfs/dbraw/zinc/83/02/96/1199830296.db2.gz IXHLVEPZOARNJD-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000430924724 1199830302 /nfs/dbraw/zinc/83/03/02/1199830302.db2.gz IXHLVEPZOARNJD-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000119418686 1200066209 /nfs/dbraw/zinc/06/62/09/1200066209.db2.gz OOMOFFGILZLALV-CQSZACIVSA-N 2 2 324.900 3.219 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000119418686 1200066225 /nfs/dbraw/zinc/06/62/25/1200066225.db2.gz OOMOFFGILZLALV-CQSZACIVSA-N 2 2 324.900 3.219 20 0 DGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000120863537 1200178749 /nfs/dbraw/zinc/17/87/49/1200178749.db2.gz REAPZMYZHBANIW-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000122331553 1200267409 /nfs/dbraw/zinc/26/74/09/1200267409.db2.gz IAXFGWGXROEAAS-OAHLLOKOSA-N 2 2 315.417 3.084 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]C(C)C)C2CCCC2)c(C)[nH+]1 ZINC001754653313 1200418933 /nfs/dbraw/zinc/41/89/33/1200418933.db2.gz XRKQGUATNBBEAB-KRWDZBQOSA-N 2 2 317.477 3.293 20 0 DGADLP CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754700989 1200453119 /nfs/dbraw/zinc/45/31/19/1200453119.db2.gz PJYQDSBGDWSIFI-IBGZPJMESA-N 2 2 317.477 3.249 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752189044 1201794348 /nfs/dbraw/zinc/79/43/48/1201794348.db2.gz LAFGANFFQILBLH-CQSZACIVSA-N 2 2 316.449 3.051 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001752189044 1201794358 /nfs/dbraw/zinc/79/43/58/1201794358.db2.gz LAFGANFFQILBLH-CQSZACIVSA-N 2 2 316.449 3.051 20 0 DGADLP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753481882 1202271101 /nfs/dbraw/zinc/27/11/01/1202271101.db2.gz AHPSAIMQWHQEIO-XZVRFQMRSA-N 2 2 317.477 3.461 20 0 DGADLP CC[NH+](CC)CC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000152806674 1202595129 /nfs/dbraw/zinc/59/51/29/1202595129.db2.gz YNCNXAJBPHEVGO-UHFFFAOYSA-N 2 2 309.885 3.240 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154651650 1202597654 /nfs/dbraw/zinc/59/76/54/1202597654.db2.gz XBXZZXMHYBUYBH-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154651650 1202597655 /nfs/dbraw/zinc/59/76/55/1202597655.db2.gz XBXZZXMHYBUYBH-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP Cc1ccc2ncc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)n2c1 ZINC000156117486 1202599927 /nfs/dbraw/zinc/59/99/27/1202599927.db2.gz LXZSXGABVIYMSC-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000236824733 1202627140 /nfs/dbraw/zinc/62/71/40/1202627140.db2.gz GKASBCBYNRBCJD-DFQSSKMNSA-N 2 2 315.505 3.286 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000236824733 1202627141 /nfs/dbraw/zinc/62/71/41/1202627141.db2.gz GKASBCBYNRBCJD-DFQSSKMNSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000236824733 1202627142 /nfs/dbraw/zinc/62/71/42/1202627142.db2.gz GKASBCBYNRBCJD-DFQSSKMNSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000236824733 1202627143 /nfs/dbraw/zinc/62/71/43/1202627143.db2.gz GKASBCBYNRBCJD-DFQSSKMNSA-N 2 2 315.505 3.286 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000236840721 1202627793 /nfs/dbraw/zinc/62/77/93/1202627793.db2.gz FAAAWZNDDUWKEV-HNNXBMFYSA-N 2 2 312.404 3.479 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000236840721 1202627794 /nfs/dbraw/zinc/62/77/94/1202627794.db2.gz FAAAWZNDDUWKEV-HNNXBMFYSA-N 2 2 312.404 3.479 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000236848775 1202629279 /nfs/dbraw/zinc/62/92/79/1202629279.db2.gz BMIHSBHVNHUXNG-AZUAARDMSA-N 2 2 315.505 3.143 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)CC2)C1 ZINC000236848775 1202629280 /nfs/dbraw/zinc/62/92/80/1202629280.db2.gz BMIHSBHVNHUXNG-AZUAARDMSA-N 2 2 315.505 3.143 20 0 DGADLP CCCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000236928247 1202636096 /nfs/dbraw/zinc/63/60/96/1202636096.db2.gz BOUCEQAZWSOCME-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000236928247 1202636097 /nfs/dbraw/zinc/63/60/97/1202636097.db2.gz BOUCEQAZWSOCME-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000237082849 1202646332 /nfs/dbraw/zinc/64/63/32/1202646332.db2.gz RZGCMNCGNDWWAL-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000237082849 1202646333 /nfs/dbraw/zinc/64/63/33/1202646333.db2.gz RZGCMNCGNDWWAL-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)(C)C ZINC001713488977 1202658641 /nfs/dbraw/zinc/65/86/41/1202658641.db2.gz BCQZLLGOLGDJKH-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)(C)C ZINC001713488977 1202658642 /nfs/dbraw/zinc/65/86/42/1202658642.db2.gz BCQZLLGOLGDJKH-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CCCCC[NH2+]C1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001714196343 1202826907 /nfs/dbraw/zinc/82/69/07/1202826907.db2.gz FCPYUVLYIXPIFU-GTPINHCMSA-N 2 2 320.481 3.041 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CC(C)C)CCCC2)c(C)[nH+]1 ZINC001714501004 1202964596 /nfs/dbraw/zinc/96/45/96/1202964596.db2.gz WJCIWTNIZVLLRG-UHFFFAOYSA-N 2 2 317.477 3.295 20 0 DGADLP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001715188301 1203292313 /nfs/dbraw/zinc/29/23/13/1203292313.db2.gz FCPYUVLYIXPIFU-ULQDDVLXSA-N 2 2 320.481 3.041 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001715244084 1203302636 /nfs/dbraw/zinc/30/26/36/1203302636.db2.gz HOQCISPCAHOIFS-CYBMUJFWSA-N 2 2 319.493 3.399 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]C(C)C)C(C)(C)C)c(C)[nH+]1 ZINC001717963324 1203736741 /nfs/dbraw/zinc/73/67/41/1203736741.db2.gz IIMLTCMRTPIRNS-OAHLLOKOSA-N 2 2 305.466 3.149 20 0 DGADLP CC[NH2+]C1(CC)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001724885632 1204062469 /nfs/dbraw/zinc/06/24/69/1204062469.db2.gz BVTMNIPGBVCSFB-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725104286 1204095145 /nfs/dbraw/zinc/09/51/45/1204095145.db2.gz OKRXTESOKKMRGH-GJZGRUSLSA-N 2 2 303.450 3.069 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725104288 1204095603 /nfs/dbraw/zinc/09/56/03/1204095603.db2.gz OKRXTESOKKMRGH-LSDHHAIUSA-N 2 2 303.450 3.069 20 0 DGADLP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001731450356 1204416078 /nfs/dbraw/zinc/41/60/78/1204416078.db2.gz PECCLSZIYOAJBJ-QAQDUYKDSA-N 2 2 317.477 3.293 20 0 DGADLP CCC[N@@H+](Cc1cc(F)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236833395 1090034841 /nfs/dbraw/zinc/03/48/41/1090034841.db2.gz APELXKXYGDXABM-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1cc(F)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236833395 1090034852 /nfs/dbraw/zinc/03/48/52/1090034852.db2.gz APELXKXYGDXABM-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP COc1c(F)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206771365 1081630157 /nfs/dbraw/zinc/63/01/57/1081630157.db2.gz WJNYCPMDWNWDPN-QWRGUYRKSA-N 2 2 300.805 3.047 20 0 DGADLP COc1c(F)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206771365 1081630158 /nfs/dbraw/zinc/63/01/58/1081630158.db2.gz WJNYCPMDWNWDPN-QWRGUYRKSA-N 2 2 300.805 3.047 20 0 DGADLP CCCc1cc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)nc(C)[nH+]1 ZINC001167087258 1081665375 /nfs/dbraw/zinc/66/53/75/1081665375.db2.gz PVNIUYNLPCARCM-UHFFFAOYSA-N 2 2 324.403 3.466 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811620 1081697891 /nfs/dbraw/zinc/69/78/91/1081697891.db2.gz WIRQXAUCAMZTBF-MNOVXSKESA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811620 1081697894 /nfs/dbraw/zinc/69/78/94/1081697894.db2.gz WIRQXAUCAMZTBF-MNOVXSKESA-N 2 2 317.296 3.378 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072659267 1081960859 /nfs/dbraw/zinc/96/08/59/1081960859.db2.gz SARAIABSQANRIN-KRWDZBQOSA-N 3 2 314.477 3.472 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCSCc2csc(C[NH+](C)C)n2)C1 ZINC001170104162 1082102257 /nfs/dbraw/zinc/10/22/57/1082102257.db2.gz JQGZMMXNSLEWGJ-OLZOCXBDSA-N 2 2 313.536 3.216 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C)C1 ZINC001170126469 1082132810 /nfs/dbraw/zinc/13/28/10/1082132810.db2.gz ZANAELGUXRTFOC-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C)C1 ZINC001170126469 1082132815 /nfs/dbraw/zinc/13/28/15/1082132815.db2.gz ZANAELGUXRTFOC-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136334 1082177011 /nfs/dbraw/zinc/17/70/11/1082177011.db2.gz JUGJUJBEKTUAHS-OWCLPIDISA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136334 1082177014 /nfs/dbraw/zinc/17/70/14/1082177014.db2.gz JUGJUJBEKTUAHS-OWCLPIDISA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136334 1082177016 /nfs/dbraw/zinc/17/70/16/1082177016.db2.gz JUGJUJBEKTUAHS-OWCLPIDISA-N 2 2 304.482 3.289 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCCCCC1 ZINC001170410142 1082369015 /nfs/dbraw/zinc/36/90/15/1082369015.db2.gz FBFXGABNFYOCHH-QGZVFWFLSA-N 2 2 318.461 3.202 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC001167508585 1082465746 /nfs/dbraw/zinc/46/57/46/1082465746.db2.gz HFDXKCBICIHOGB-RYRKJORJSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC001167508585 1082465750 /nfs/dbraw/zinc/46/57/50/1082465750.db2.gz HFDXKCBICIHOGB-RYRKJORJSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC001167508585 1082465752 /nfs/dbraw/zinc/46/57/52/1082465752.db2.gz HFDXKCBICIHOGB-RYRKJORJSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC001167508585 1082465756 /nfs/dbraw/zinc/46/57/56/1082465756.db2.gz HFDXKCBICIHOGB-RYRKJORJSA-N 2 2 322.493 3.316 20 0 DGADLP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143436325 1082497245 /nfs/dbraw/zinc/49/72/45/1082497245.db2.gz MCCZMXISAIISOR-UHFFFAOYSA-N 2 2 320.330 3.250 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143436325 1082497247 /nfs/dbraw/zinc/49/72/47/1082497247.db2.gz MCCZMXISAIISOR-UHFFFAOYSA-N 2 2 320.330 3.250 20 0 DGADLP CC[N@H+]1CC=C(c2cnc(NCc3cc[nH+]c(N)c3)c(C)c2)CC1 ZINC001167617696 1082610653 /nfs/dbraw/zinc/61/06/53/1082610653.db2.gz WLSAATPSZFDAKV-UHFFFAOYSA-N 2 2 323.444 3.088 20 0 DGADLP CC[N@@H+]1CC=C(c2cnc(NCc3cc[nH+]c(N)c3)c(C)c2)CC1 ZINC001167617696 1082610656 /nfs/dbraw/zinc/61/06/56/1082610656.db2.gz WLSAATPSZFDAKV-UHFFFAOYSA-N 2 2 323.444 3.088 20 0 DGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]cccc1[Si](C)(C)C ZINC001167625539 1082619837 /nfs/dbraw/zinc/61/98/37/1082619837.db2.gz LMMKZFIVMKBENW-UHFFFAOYSA-N 2 2 305.542 3.112 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCC2CCCCC2)c(C)[nH+]1 ZINC001131560205 1082687851 /nfs/dbraw/zinc/68/78/51/1082687851.db2.gz BXDCECULTWUAOV-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092391294 1083119283 /nfs/dbraw/zinc/11/92/83/1083119283.db2.gz TZUUKBUKOSLWKP-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092391294 1083119289 /nfs/dbraw/zinc/11/92/89/1083119289.db2.gz TZUUKBUKOSLWKP-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227716 1083258221 /nfs/dbraw/zinc/25/82/21/1083258221.db2.gz JJZVELXDNGPGQS-LSDHHAIUSA-N 2 2 322.497 3.042 20 0 DGADLP COc1cc(N([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)cc[nH+]1 ZINC001170766129 1083319525 /nfs/dbraw/zinc/31/95/25/1083319525.db2.gz JJKDVDRTNOSBAQ-OSYLJGHBSA-N 2 2 315.461 3.083 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137716234 1083713586 /nfs/dbraw/zinc/71/35/86/1083713586.db2.gz YXBZAHWLAALOGB-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137716234 1083713597 /nfs/dbraw/zinc/71/35/97/1083713597.db2.gz YXBZAHWLAALOGB-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137716234 1083713606 /nfs/dbraw/zinc/71/36/06/1083713606.db2.gz YXBZAHWLAALOGB-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137716234 1083713612 /nfs/dbraw/zinc/71/36/12/1083713612.db2.gz YXBZAHWLAALOGB-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP Cc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C ZINC001182593761 1083759922 /nfs/dbraw/zinc/75/99/22/1083759922.db2.gz ANTGFYFBUDKZHQ-FQEVSTJZSA-N 2 2 316.489 3.033 20 0 DGADLP Cc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C ZINC001182593761 1083759928 /nfs/dbraw/zinc/75/99/28/1083759928.db2.gz ANTGFYFBUDKZHQ-FQEVSTJZSA-N 2 2 316.489 3.033 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205266965 1083937256 /nfs/dbraw/zinc/93/72/56/1083937256.db2.gz YZGNFBGYKVSMCY-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205266965 1083937263 /nfs/dbraw/zinc/93/72/63/1083937263.db2.gz YZGNFBGYKVSMCY-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205280615 1084013599 /nfs/dbraw/zinc/01/35/99/1084013599.db2.gz DJZBNPJVKCURNH-CYBMUJFWSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001205280615 1084013608 /nfs/dbraw/zinc/01/36/08/1084013608.db2.gz DJZBNPJVKCURNH-CYBMUJFWSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@H]1Cc2cc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)ccc2O1 ZINC001184375149 1084166695 /nfs/dbraw/zinc/16/66/95/1084166695.db2.gz UHNNSDTYMAZJIC-AWEZNQCLSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@@H]1C[NH3+] ZINC001205303197 1084226299 /nfs/dbraw/zinc/22/62/99/1084226299.db2.gz AVGSXIUZTNCTEW-KOLCDFICSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@@H]1C[NH3+] ZINC001205303197 1084226308 /nfs/dbraw/zinc/22/63/08/1084226308.db2.gz AVGSXIUZTNCTEW-KOLCDFICSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCCC1 ZINC001184965613 1084296402 /nfs/dbraw/zinc/29/64/02/1084296402.db2.gz MBUJUPDKOKPMGP-HNNXBMFYSA-N 2 2 323.444 3.416 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167894070 1084432564 /nfs/dbraw/zinc/43/25/64/1084432564.db2.gz MXWUNGRDATYECP-VQFNDLOPSA-N 2 2 300.446 3.048 20 0 DGADLP Cc1nc(N(CC[NH+](C)C)Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001185694056 1084503951 /nfs/dbraw/zinc/50/39/51/1084503951.db2.gz XILRLPXOJDUKSW-UHFFFAOYSA-N 2 2 324.472 3.232 20 0 DGADLP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001273521223 1084644986 /nfs/dbraw/zinc/64/49/86/1084644986.db2.gz MNVIOIHZILAZAQ-CYBMUJFWSA-N 2 2 305.466 3.105 20 0 DGADLP COc1cc(C(F)(F)F)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001141602806 1086078569 /nfs/dbraw/zinc/07/85/69/1086078569.db2.gz PFAMGFRFUVEWIW-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1cc(C(F)(F)F)ccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001141602806 1086078577 /nfs/dbraw/zinc/07/85/77/1086078577.db2.gz PFAMGFRFUVEWIW-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168016336 1086304368 /nfs/dbraw/zinc/30/43/68/1086304368.db2.gz VDTPSHBIYJQBAL-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168016336 1086304373 /nfs/dbraw/zinc/30/43/73/1086304373.db2.gz VDTPSHBIYJQBAL-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039170 1086496767 /nfs/dbraw/zinc/49/67/67/1086496767.db2.gz BQFNHSGWEMKZFF-YESZJQIVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039170 1086496771 /nfs/dbraw/zinc/49/67/71/1086496771.db2.gz BQFNHSGWEMKZFF-YESZJQIVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064075 1086651291 /nfs/dbraw/zinc/65/12/91/1086651291.db2.gz IMFISHXGARPXMU-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064075 1086651295 /nfs/dbraw/zinc/65/12/95/1086651295.db2.gz IMFISHXGARPXMU-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cncnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064075 1086651304 /nfs/dbraw/zinc/65/13/04/1086651304.db2.gz IMFISHXGARPXMU-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cncnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064075 1086651306 /nfs/dbraw/zinc/65/13/06/1086651306.db2.gz IMFISHXGARPXMU-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1CC([N@H+](C)Cc2cncnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064071 1086651545 /nfs/dbraw/zinc/65/15/45/1086651545.db2.gz IMFISHXGARPXMU-IAGOWNOFSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1CC([N@@H+](C)Cc2cncnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064071 1086651546 /nfs/dbraw/zinc/65/15/46/1086651546.db2.gz IMFISHXGARPXMU-IAGOWNOFSA-N 2 2 324.472 3.350 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168093121 1086851788 /nfs/dbraw/zinc/85/17/88/1086851788.db2.gz LZALHVSGJAZFRO-KXBFYZLASA-N 2 2 320.452 3.256 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)CC1 ZINC001168209202 1087057550 /nfs/dbraw/zinc/05/75/50/1087057550.db2.gz MQQVKTPKWFJDRO-DXBWTPJFSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)CC1 ZINC001168209202 1087057553 /nfs/dbraw/zinc/05/75/53/1087057553.db2.gz MQQVKTPKWFJDRO-DXBWTPJFSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc2ncc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)n2c1 ZINC001648986966 1087068893 /nfs/dbraw/zinc/06/88/93/1087068893.db2.gz YIRMFLWBSBVNRE-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP COc1ccc2c(c1)C[C@@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)C2 ZINC001168258674 1087076219 /nfs/dbraw/zinc/07/62/19/1087076219.db2.gz CPIAWHBCHLEWKL-SFHVURJKSA-N 2 2 319.408 3.357 20 0 DGADLP c1ccc2sc(C[NH2+]C3CC[NH+](CC4CC4)CC3)nc2c1 ZINC001168351663 1087304358 /nfs/dbraw/zinc/30/43/58/1087304358.db2.gz XAFNBZFKMSQBSI-UHFFFAOYSA-N 2 2 301.459 3.260 20 0 DGADLP C(C1CC1)[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001168365915 1087387942 /nfs/dbraw/zinc/38/79/42/1087387942.db2.gz FRJDAUCFGTVQEX-UHFFFAOYSA-N 3 2 319.537 3.105 20 0 DGADLP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC001168370640 1087441131 /nfs/dbraw/zinc/44/11/31/1087441131.db2.gz CQTDTTJSMUWCSQ-UHFFFAOYSA-N 2 2 302.340 3.262 20 0 DGADLP Cc1c(Br)ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC001235032333 1088159597 /nfs/dbraw/zinc/15/95/97/1088159597.db2.gz KGUHBGXABTVQKT-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1c(Br)ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC001235032333 1088159590 /nfs/dbraw/zinc/15/95/90/1088159590.db2.gz KGUHBGXABTVQKT-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP CN(c1ccc(Nc2cncc(C[NH3+])c2)c[nH+]1)C1CCCCC1 ZINC001159303412 1088276757 /nfs/dbraw/zinc/27/67/57/1088276757.db2.gz DSLPGZPCPACAAB-UHFFFAOYSA-N 2 2 311.433 3.448 20 0 DGADLP c1c(N=C2CCC[N@@H+](Cc3ccccc3)C2)onc1[C@@H]1CCC[NH2+]1 ZINC001159305342 1088281163 /nfs/dbraw/zinc/28/11/63/1088281163.db2.gz LYSLWWQTBMXLME-KRWDZBQOSA-N 2 2 324.428 3.301 20 0 DGADLP c1c(N=C2CCC[N@H+](Cc3ccccc3)C2)onc1[C@@H]1CCC[NH2+]1 ZINC001159305342 1088281182 /nfs/dbraw/zinc/28/11/82/1088281182.db2.gz LYSLWWQTBMXLME-KRWDZBQOSA-N 2 2 324.428 3.301 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015953 1088442252 /nfs/dbraw/zinc/44/22/52/1088442252.db2.gz YKZOMQZHDFGXAT-ZIAGYGMSSA-N 2 2 316.449 3.049 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015953 1088442259 /nfs/dbraw/zinc/44/22/59/1088442259.db2.gz YKZOMQZHDFGXAT-ZIAGYGMSSA-N 2 2 316.449 3.049 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Br ZINC001235925245 1088474199 /nfs/dbraw/zinc/47/41/99/1088474199.db2.gz MNZXCBOBOMGZNA-JTQLQIEISA-N 2 2 317.658 3.416 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1Br ZINC001235925245 1088474228 /nfs/dbraw/zinc/47/42/28/1088474228.db2.gz MNZXCBOBOMGZNA-JTQLQIEISA-N 2 2 317.658 3.416 20 0 DGADLP COc1cc(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC001159978795 1088585026 /nfs/dbraw/zinc/58/50/26/1088585026.db2.gz YDJTVZPRIPWARD-CQSZACIVSA-N 2 2 312.417 3.070 20 0 DGADLP CCc1cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)nc(C)[nH+]1 ZINC001160010359 1088599734 /nfs/dbraw/zinc/59/97/34/1088599734.db2.gz FVNAZXNYYOOPSP-CYBMUJFWSA-N 2 2 308.429 3.489 20 0 DGADLP COc1cc[nH+]cc1Nc1ccccc1OCC1CC[NH2+]CC1 ZINC001160187251 1088691025 /nfs/dbraw/zinc/69/10/25/1088691025.db2.gz DGYWCETYDATIKE-UHFFFAOYSA-N 2 2 313.401 3.212 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cccc2OCc2ccc(F)cc2)C1 ZINC001154990939 1088879449 /nfs/dbraw/zinc/87/94/49/1088879449.db2.gz ZEQYKVXMMKDCTL-JKSUJKDBSA-N 2 2 315.392 3.482 20 0 DGADLP CSc1ccnc(Cl)c1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057449 1088924276 /nfs/dbraw/zinc/92/42/76/1088924276.db2.gz IYQOKMGFQJETJI-UHFFFAOYSA-N 2 2 308.838 3.110 20 0 DGADLP Cc1cc(Cl)c(C)c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]1 ZINC001160741849 1088939704 /nfs/dbraw/zinc/93/97/04/1088939704.db2.gz SURWDZXEYYJRHJ-MWLCHTKSSA-N 2 2 307.747 3.304 20 0 DGADLP COc1cc2ccc(NCc3ccccc3C[NH3+])[nH+]c2cc1OC ZINC001160907615 1089011129 /nfs/dbraw/zinc/01/11/29/1089011129.db2.gz XDGZCXBYCOXGBD-UHFFFAOYSA-N 2 2 323.396 3.323 20 0 DGADLP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c(N3CCCCC3)n2)c1 ZINC001155347597 1089079418 /nfs/dbraw/zinc/07/94/18/1089079418.db2.gz GKSDNZOEQWFAGO-CQSZACIVSA-N 2 2 321.428 3.431 20 0 DGADLP Cc1nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001156395474 1089501613 /nfs/dbraw/zinc/50/16/13/1089501613.db2.gz LJZWWKKKYXJHLH-VQIMIIECSA-N 2 2 314.477 3.221 20 0 DGADLP CC1(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CCC(F)(F)CC1 ZINC001162030779 1089533982 /nfs/dbraw/zinc/53/39/82/1089533982.db2.gz PKNUDPJMLHFNBB-UHFFFAOYSA-N 2 2 324.419 3.119 20 0 DGADLP COCCC1([NH3+])CCN(c2cc(C)c3cccc(C)c3[nH+]2)CC1 ZINC001162041608 1089537295 /nfs/dbraw/zinc/53/72/95/1089537295.db2.gz NLLJJOVIKXDJCW-UHFFFAOYSA-N 2 2 313.445 3.186 20 0 DGADLP CC(C)=CC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001484893976 1089732370 /nfs/dbraw/zinc/73/23/70/1089732370.db2.gz AHQDFGKKVHQBNQ-YOEHRIQHSA-N 2 2 315.461 3.023 20 0 DGADLP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)nc1NC1CC1 ZINC001156928373 1089751667 /nfs/dbraw/zinc/75/16/67/1089751667.db2.gz JJXWCSYTJHFEML-CQSZACIVSA-N 2 2 303.454 3.036 20 0 DGADLP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)nc1NC1CC1 ZINC001156928373 1089751679 /nfs/dbraw/zinc/75/16/79/1089751679.db2.gz JJXWCSYTJHFEML-CQSZACIVSA-N 2 2 303.454 3.036 20 0 DGADLP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)nc1NC(C)C ZINC001156928988 1089755096 /nfs/dbraw/zinc/75/50/96/1089755096.db2.gz RESDZGOARICRDM-OAHLLOKOSA-N 2 2 305.470 3.282 20 0 DGADLP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)nc1NC(C)C ZINC001156928988 1089755107 /nfs/dbraw/zinc/75/51/07/1089755107.db2.gz RESDZGOARICRDM-OAHLLOKOSA-N 2 2 305.470 3.282 20 0 DGADLP Cc1[nH+]c(N)ccc1CNc1[nH+]cnc2c1ccn2C1CCCC1 ZINC001156980496 1089773488 /nfs/dbraw/zinc/77/34/88/1089773488.db2.gz JFAZILJJQCGIDM-UHFFFAOYSA-N 2 2 322.416 3.444 20 0 DGADLP CCCN(CCC)c1cc(N2CC[C@H]([N@H+](C)C(C)C)C2)nc[nH+]1 ZINC001157021031 1089789892 /nfs/dbraw/zinc/78/98/92/1089789892.db2.gz LMLBJVUEJFUICN-INIZCTEOSA-N 2 2 319.497 3.022 20 0 DGADLP CCCN(CCC)c1cc(N2CC[C@H]([N@@H+](C)C(C)C)C2)nc[nH+]1 ZINC001157021031 1089789909 /nfs/dbraw/zinc/78/99/09/1089789909.db2.gz LMLBJVUEJFUICN-INIZCTEOSA-N 2 2 319.497 3.022 20 0 DGADLP F[C@H]1C[NH2+]CC[C@H]1CNc1[nH+]cccc1OCc1ccccc1 ZINC001162808528 1089965733 /nfs/dbraw/zinc/96/57/33/1089965733.db2.gz MICQTPOQKALFND-HOTGVXAUSA-N 2 2 315.392 3.020 20 0 DGADLP CCc1nc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC001157433393 1089966583 /nfs/dbraw/zinc/96/65/83/1089966583.db2.gz LSMKXQHTYVGTJH-KRWDZBQOSA-N 2 2 310.445 3.106 20 0 DGADLP Cc1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc(OC(F)F)[nH+]1 ZINC001162816309 1089973098 /nfs/dbraw/zinc/97/30/98/1089973098.db2.gz YJXBZMWFKJMLQY-UHFFFAOYSA-N 2 2 319.355 3.249 20 0 DGADLP CC(C)Oc1cc[nH+]c(N[C@H](C[NH+]2CCOCC2)C(C)(C)C)c1 ZINC001162875933 1090002720 /nfs/dbraw/zinc/00/27/20/1090002720.db2.gz NLAUPWUASOHLTN-MRXNPFEDSA-N 2 2 321.465 3.028 20 0 DGADLP Cc1ccc2c(c1)[C@@H](Nc1cc[nH+]cc1F)CC21CC[NH2+]CC1 ZINC001163033959 1090057162 /nfs/dbraw/zinc/05/71/62/1090057162.db2.gz LWFIDOQTTVRKER-SFHVURJKSA-N 2 2 311.404 3.129 20 0 DGADLP CCCC(C[NH3+])(CCC)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC001163040952 1090060764 /nfs/dbraw/zinc/06/07/64/1090060764.db2.gz WNBGFAVKCOLBEP-HNNXBMFYSA-N 2 2 319.497 3.423 20 0 DGADLP CC(C)COc1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001163230241 1090126499 /nfs/dbraw/zinc/12/64/99/1090126499.db2.gz NPARVMPBHNOXRD-AWEZNQCLSA-N 2 2 303.431 3.434 20 0 DGADLP Cc1nc(N(C(C)C)[C@H]2CC[NH2+]C2)cc(C2CCCCC2)[nH+]1 ZINC001158033769 1090176786 /nfs/dbraw/zinc/17/67/86/1090176786.db2.gz WULPTZDPQQQVTQ-INIZCTEOSA-N 2 2 302.466 3.409 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000299935883 1090273870 /nfs/dbraw/zinc/27/38/70/1090273870.db2.gz IYCGLALEZWITQC-GXSJLCMTSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000299935883 1090273873 /nfs/dbraw/zinc/27/38/73/1090273873.db2.gz IYCGLALEZWITQC-GXSJLCMTSA-N 2 2 317.296 3.236 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001237190093 1090297493 /nfs/dbraw/zinc/29/74/93/1090297493.db2.gz CPPHBOIIXJLYQO-OLZOCXBDSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001237190093 1090297499 /nfs/dbraw/zinc/29/74/99/1090297499.db2.gz CPPHBOIIXJLYQO-OLZOCXBDSA-N 2 2 323.278 3.195 20 0 DGADLP [NH3+][C@H]1CCN(c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)C1 ZINC001164286790 1090394180 /nfs/dbraw/zinc/39/41/80/1090394180.db2.gz YFSCPRSMGLAMGC-AWEZNQCLSA-N 2 2 312.804 3.192 20 0 DGADLP Cc1ccc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)[nH+]c1C ZINC001165088636 1090463125 /nfs/dbraw/zinc/46/31/25/1090463125.db2.gz RZPPGBRDVZEULN-MOPGFXCFSA-N 2 2 307.441 3.409 20 0 DGADLP Cc1ccc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)[nH+]c1C ZINC001165088636 1090463127 /nfs/dbraw/zinc/46/31/27/1090463127.db2.gz RZPPGBRDVZEULN-MOPGFXCFSA-N 2 2 307.441 3.409 20 0 DGADLP c1ccc(C[NH+]2CC3(CN(c4cc(C5CC5)cc[nH+]4)C3)C2)cc1 ZINC001165123298 1090467988 /nfs/dbraw/zinc/46/79/88/1090467988.db2.gz QOLUIUWTWXPGNS-UHFFFAOYSA-N 2 2 305.425 3.281 20 0 DGADLP Cc1nc(N2CCCC[C@H]2C2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC001165319846 1090502316 /nfs/dbraw/zinc/50/23/16/1090502316.db2.gz MMOQVCAANXQWTM-KRWDZBQOSA-N 2 2 302.466 3.267 20 0 DGADLP CCCc1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001165323153 1090503831 /nfs/dbraw/zinc/50/38/31/1090503831.db2.gz JOQMBMOGAZKDJC-KRWDZBQOSA-N 2 2 302.466 3.096 20 0 DGADLP Cc1cccc2cc[nH+]c(N3CCC4(CC(N(C)C)=[NH+]O4)CC3)c12 ZINC001166034719 1090570923 /nfs/dbraw/zinc/57/09/23/1090570923.db2.gz KMRBRESTOMVHLP-UHFFFAOYSA-N 2 2 324.428 3.178 20 0 DGADLP COc1c[nH+]c(NCC2CC[NH+](C(C)C)CC2)c2[nH]ccc21 ZINC001166603307 1090627745 /nfs/dbraw/zinc/62/77/45/1090627745.db2.gz IWYQSRNQFGHUBN-UHFFFAOYSA-N 2 2 302.422 3.104 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)o1 ZINC001203292771 1090714493 /nfs/dbraw/zinc/71/44/93/1090714493.db2.gz XWLIDLCHXPQPDE-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)o1 ZINC001203292771 1090714500 /nfs/dbraw/zinc/71/45/00/1090714500.db2.gz XWLIDLCHXPQPDE-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)o1 ZINC001203292771 1090714507 /nfs/dbraw/zinc/71/45/07/1090714507.db2.gz XWLIDLCHXPQPDE-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)o1 ZINC001203292771 1090714511 /nfs/dbraw/zinc/71/45/11/1090714511.db2.gz XWLIDLCHXPQPDE-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2-n1c(N)[nH+]c2c1cccc2C ZINC001203519508 1090747358 /nfs/dbraw/zinc/74/73/58/1090747358.db2.gz JEBDRMAMXRGEAD-UHFFFAOYSA-N 2 2 304.353 3.473 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001203663868 1090776290 /nfs/dbraw/zinc/77/62/90/1090776290.db2.gz XOEGXSDYLKPUGT-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001203822811 1090813348 /nfs/dbraw/zinc/81/33/48/1090813348.db2.gz WNZVGBDKPSBKOF-UHFFFAOYSA-N 2 2 306.425 3.094 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001203900734 1090833510 /nfs/dbraw/zinc/83/35/10/1090833510.db2.gz ZNEMCASPLGSINH-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001203900734 1090833512 /nfs/dbraw/zinc/83/35/12/1090833512.db2.gz ZNEMCASPLGSINH-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1O ZINC001204118941 1090905207 /nfs/dbraw/zinc/90/52/07/1090905207.db2.gz RJZZXADHOBJTBA-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)ccc1O ZINC001204118941 1090905212 /nfs/dbraw/zinc/90/52/12/1090905212.db2.gz RJZZXADHOBJTBA-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001204178502 1090915451 /nfs/dbraw/zinc/91/54/51/1090915451.db2.gz VEMHKMPEIDOCPG-UHFFFAOYSA-N 2 2 316.489 3.324 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001204178502 1090915457 /nfs/dbraw/zinc/91/54/57/1090915457.db2.gz VEMHKMPEIDOCPG-UHFFFAOYSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H](CCCC(C)(C)O)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001168705120 1090959044 /nfs/dbraw/zinc/95/90/44/1090959044.db2.gz LHZQPJAEUVLHNQ-MRXNPFEDSA-N 2 2 319.493 3.180 20 0 DGADLP CC/C=C\CCC[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001276465215 1090969120 /nfs/dbraw/zinc/96/91/20/1090969120.db2.gz DPYNTUJFMRTAJI-ARJAWSKDSA-N 2 2 316.493 3.027 20 0 DGADLP CC/C=C\CCC[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001276465215 1090969124 /nfs/dbraw/zinc/96/91/24/1090969124.db2.gz DPYNTUJFMRTAJI-ARJAWSKDSA-N 2 2 316.493 3.027 20 0 DGADLP COc1cc(C)cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001143150231 1091000372 /nfs/dbraw/zinc/00/03/72/1091000372.db2.gz ODGBWNPBNXQBBH-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001168737643 1091026743 /nfs/dbraw/zinc/02/67/43/1091026743.db2.gz BNAYQTMWQWBPKM-HNNXBMFYSA-N 2 2 301.821 3.341 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2nc3ccccc3[nH]2)C2CCCC2)CC1 ZINC001204808087 1091039929 /nfs/dbraw/zinc/03/99/29/1091039929.db2.gz JDEOMBKBJMVZMU-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2nc3ccccc3[nH]2)C2CCCC2)CC1 ZINC001204808087 1091039933 /nfs/dbraw/zinc/03/99/33/1091039933.db2.gz JDEOMBKBJMVZMU-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP COc1ccccc1[C@@H]1CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204864471 1091050411 /nfs/dbraw/zinc/05/04/11/1091050411.db2.gz UWMYNFSVJUSMDM-QZTJIDSGSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccccc1[C@@H]1CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204864471 1091050417 /nfs/dbraw/zinc/05/04/17/1091050417.db2.gz UWMYNFSVJUSMDM-QZTJIDSGSA-N 2 2 310.441 3.055 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2CCc2ccccc2)CC12CC2 ZINC001204911375 1091060834 /nfs/dbraw/zinc/06/08/34/1091060834.db2.gz HYEBTGSKTUBXPQ-HXUWFJFHSA-N 2 2 306.453 3.395 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2CCc2ccccc2)CC12CC2 ZINC001204911375 1091060838 /nfs/dbraw/zinc/06/08/38/1091060838.db2.gz HYEBTGSKTUBXPQ-HXUWFJFHSA-N 2 2 306.453 3.395 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])c2c1 ZINC001204932583 1091065989 /nfs/dbraw/zinc/06/59/89/1091065989.db2.gz KVXIHRVSVVFTGB-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCCC[C@@H]3C[NH3+])c2c1 ZINC001204932583 1091065994 /nfs/dbraw/zinc/06/59/94/1091065994.db2.gz KVXIHRVSVVFTGB-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2)C1 ZINC001205009443 1091081975 /nfs/dbraw/zinc/08/19/75/1091081975.db2.gz SSCMIHSNVGKXPX-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2)C1 ZINC001205009443 1091081983 /nfs/dbraw/zinc/08/19/83/1091081983.db2.gz SSCMIHSNVGKXPX-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CCc1sc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205117721 1091106676 /nfs/dbraw/zinc/10/66/76/1091106676.db2.gz SRGSWGUFKIKIEW-JTQLQIEISA-N 2 2 317.296 3.386 20 0 DGADLP CCc1sc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205117721 1091106677 /nfs/dbraw/zinc/10/66/77/1091106677.db2.gz SRGSWGUFKIKIEW-JTQLQIEISA-N 2 2 317.296 3.386 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cs2)cc1 ZINC001205124685 1091107889 /nfs/dbraw/zinc/10/78/89/1091107889.db2.gz XYQBUZVAAFRHEZ-OAHLLOKOSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cs2)cc1 ZINC001205124685 1091107895 /nfs/dbraw/zinc/10/78/95/1091107895.db2.gz XYQBUZVAAFRHEZ-OAHLLOKOSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124263 1091108432 /nfs/dbraw/zinc/10/84/32/1091108432.db2.gz MRPKIEZRIVCZSV-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124263 1091108434 /nfs/dbraw/zinc/10/84/34/1091108434.db2.gz MRPKIEZRIVCZSV-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP COc1cccc2c1C[N@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001205164245 1091116519 /nfs/dbraw/zinc/11/65/19/1091116519.db2.gz BFYCGNFXMPHIAD-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP COc1cccc2c1C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001205164245 1091116523 /nfs/dbraw/zinc/11/65/23/1091116523.db2.gz BFYCGNFXMPHIAD-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1OC ZINC001205263658 1091155282 /nfs/dbraw/zinc/15/52/82/1091155282.db2.gz BHMXZXIDRVLNNL-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1OC ZINC001205263658 1091155289 /nfs/dbraw/zinc/15/52/89/1091155289.db2.gz BHMXZXIDRVLNNL-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001205324856 1091185422 /nfs/dbraw/zinc/18/54/22/1091185422.db2.gz HEQXLJXXSGLKFD-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001205324856 1091185426 /nfs/dbraw/zinc/18/54/26/1091185426.db2.gz HEQXLJXXSGLKFD-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c2c(OC)cccc12 ZINC001205325324 1091185604 /nfs/dbraw/zinc/18/56/04/1091185604.db2.gz MGKOPVCCUXSWIB-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)c2c(OC)cccc12 ZINC001205325324 1091185608 /nfs/dbraw/zinc/18/56/08/1091185608.db2.gz MGKOPVCCUXSWIB-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1sccc1Cl)CC2 ZINC001205333741 1091189967 /nfs/dbraw/zinc/18/99/67/1091189967.db2.gz OZAGNVCWBYTKTP-UHFFFAOYSA-N 2 2 313.854 3.032 20 0 DGADLP CC(C)=CCCC1=CC[C@@H](C[N@@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC001205376209 1091204144 /nfs/dbraw/zinc/20/41/44/1091204144.db2.gz CYHPIFLDGHOIEM-RTBURBONSA-N 2 2 306.494 3.380 20 0 DGADLP CC(C)=CCCC1=CC[C@@H](C[N@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC001205376209 1091204156 /nfs/dbraw/zinc/20/41/56/1091204156.db2.gz CYHPIFLDGHOIEM-RTBURBONSA-N 2 2 306.494 3.380 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001138544692 1091221273 /nfs/dbraw/zinc/22/12/73/1091221273.db2.gz MXXYRYHPQYKUKO-DLBZAZTESA-N 2 2 305.372 3.453 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1 ZINC001138544692 1091221287 /nfs/dbraw/zinc/22/12/87/1091221287.db2.gz MXXYRYHPQYKUKO-DLBZAZTESA-N 2 2 305.372 3.453 20 0 DGADLP CC(C)[N@H+](Cc1ccc(C(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC001205449884 1091224936 /nfs/dbraw/zinc/22/49/36/1091224936.db2.gz MZHVNEZQWKQCSI-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(C(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC001205449884 1091224945 /nfs/dbraw/zinc/22/49/45/1091224945.db2.gz MZHVNEZQWKQCSI-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cc(OC)ccc23)CC1 ZINC001138588481 1091245167 /nfs/dbraw/zinc/24/51/67/1091245167.db2.gz QWLGXFWMNHYKOO-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](CCc2ccc(Cl)cc2Cl)CCC1(F)F ZINC001205734919 1091325414 /nfs/dbraw/zinc/32/54/14/1091325414.db2.gz HKRASRNHRHUWBX-LLVKDONJSA-N 2 2 323.214 3.452 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2Cl)CCC1(F)F ZINC001205734919 1091325426 /nfs/dbraw/zinc/32/54/26/1091325426.db2.gz HKRASRNHRHUWBX-LLVKDONJSA-N 2 2 323.214 3.452 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]c3ccc(Cl)cc23)CCC1(F)F ZINC001205762651 1091337134 /nfs/dbraw/zinc/33/71/34/1091337134.db2.gz MMOUDFZJRJCEPC-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CCC1(F)F ZINC001205762651 1091337147 /nfs/dbraw/zinc/33/71/47/1091337147.db2.gz MMOUDFZJRJCEPC-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205795193 1091351947 /nfs/dbraw/zinc/35/19/47/1091351947.db2.gz DMJOVONMTKMLRM-GFCCVEGCSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205795193 1091351959 /nfs/dbraw/zinc/35/19/59/1091351959.db2.gz DMJOVONMTKMLRM-GFCCVEGCSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1c(C)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1Cl ZINC001205795116 1091352680 /nfs/dbraw/zinc/35/26/80/1091352680.db2.gz CPRHVWXAXOIYNI-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1c(C)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1Cl ZINC001205795116 1091352691 /nfs/dbraw/zinc/35/26/91/1091352691.db2.gz CPRHVWXAXOIYNI-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838190 1091373438 /nfs/dbraw/zinc/37/34/38/1091373438.db2.gz BEWYXEOOZRCKAX-IUODEOHRSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838190 1091373447 /nfs/dbraw/zinc/37/34/47/1091373447.db2.gz BEWYXEOOZRCKAX-IUODEOHRSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1[NH3+] ZINC001205872173 1091388847 /nfs/dbraw/zinc/38/88/47/1091388847.db2.gz GJQIKBWWNYZZAR-YGRLFVJLSA-N 2 2 322.250 3.100 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1[NH3+] ZINC001205872173 1091388857 /nfs/dbraw/zinc/38/88/57/1091388857.db2.gz GJQIKBWWNYZZAR-YGRLFVJLSA-N 2 2 322.250 3.100 20 0 DGADLP CCC(=O)Oc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001138965162 1091393725 /nfs/dbraw/zinc/39/37/25/1091393725.db2.gz JUWJTUJWBJCZCE-UHFFFAOYSA-N 2 2 313.401 3.036 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912386 1091407946 /nfs/dbraw/zinc/40/79/46/1091407946.db2.gz ACJDRBMNHGLVDK-MNOVXSKESA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912386 1091407951 /nfs/dbraw/zinc/40/79/51/1091407951.db2.gz ACJDRBMNHGLVDK-MNOVXSKESA-N 2 2 317.296 3.378 20 0 DGADLP CCCn1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001139041463 1091427154 /nfs/dbraw/zinc/42/71/54/1091427154.db2.gz HDDXSPGDVAPEAA-UHFFFAOYSA-N 2 2 309.417 3.111 20 0 DGADLP CCCn1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001139041463 1091427158 /nfs/dbraw/zinc/42/71/58/1091427158.db2.gz HDDXSPGDVAPEAA-UHFFFAOYSA-N 2 2 309.417 3.111 20 0 DGADLP c1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc(C[NH+]2CCOCC2)c1 ZINC001139052627 1091430427 /nfs/dbraw/zinc/43/04/27/1091430427.db2.gz HMXJHRRTRYQDGR-WOJBJXKFSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001139055292 1091432052 /nfs/dbraw/zinc/43/20/52/1091432052.db2.gz MTCIGGSWUXYKIK-UXHICEINSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001139055292 1091432057 /nfs/dbraw/zinc/43/20/57/1091432057.db2.gz MTCIGGSWUXYKIK-UXHICEINSA-N 2 2 314.473 3.141 20 0 DGADLP COc1cc(O)ccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139145180 1091463954 /nfs/dbraw/zinc/46/39/54/1091463954.db2.gz SXOYRJQZQXFOQO-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP COc1cc(O)ccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139145180 1091463959 /nfs/dbraw/zinc/46/39/59/1091463959.db2.gz SXOYRJQZQXFOQO-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@@H]1F ZINC001206190200 1091528402 /nfs/dbraw/zinc/52/84/02/1091528402.db2.gz ZLAWLPYLMHJRGS-IRXDYDNUSA-N 2 2 321.440 3.054 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@@H]1F ZINC001206190200 1091528412 /nfs/dbraw/zinc/52/84/12/1091528412.db2.gz ZLAWLPYLMHJRGS-IRXDYDNUSA-N 2 2 321.440 3.054 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197890 1091533380 /nfs/dbraw/zinc/53/33/80/1091533380.db2.gz JZRXVDVYWJBBQG-VHSXEESVSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197890 1091533381 /nfs/dbraw/zinc/53/33/81/1091533381.db2.gz JZRXVDVYWJBBQG-VHSXEESVSA-N 2 2 321.259 3.080 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001206262764 1091554541 /nfs/dbraw/zinc/55/45/41/1091554541.db2.gz FYVUJTNMCYTCJP-AWEZNQCLSA-N 2 2 303.837 3.315 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001206262764 1091554547 /nfs/dbraw/zinc/55/45/47/1091554547.db2.gz FYVUJTNMCYTCJP-AWEZNQCLSA-N 2 2 303.837 3.315 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001206276596 1091559769 /nfs/dbraw/zinc/55/97/69/1091559769.db2.gz HBEQCDAOFVQZOY-CQSZACIVSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001206276596 1091559774 /nfs/dbraw/zinc/55/97/74/1091559774.db2.gz HBEQCDAOFVQZOY-CQSZACIVSA-N 2 2 315.848 3.443 20 0 DGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001206287936 1091563766 /nfs/dbraw/zinc/56/37/66/1091563766.db2.gz RNDAJGKMQIOXQC-QDMKHBRRSA-N 2 2 304.434 3.094 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139471064 1091568093 /nfs/dbraw/zinc/56/80/93/1091568093.db2.gz RGXGACDQQLSSME-UHFFFAOYSA-N 2 2 324.266 3.314 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139471064 1091568100 /nfs/dbraw/zinc/56/81/00/1091568100.db2.gz RGXGACDQQLSSME-UHFFFAOYSA-N 2 2 324.266 3.314 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001206328499 1091581437 /nfs/dbraw/zinc/58/14/37/1091581437.db2.gz KDKHOZQNEFPYEF-PKOBYXMFSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC001206328499 1091581443 /nfs/dbraw/zinc/58/14/43/1091581443.db2.gz KDKHOZQNEFPYEF-PKOBYXMFSA-N 2 2 316.489 3.324 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)nc3)C[C@H]2C1 ZINC001139525874 1091586577 /nfs/dbraw/zinc/58/65/77/1091586577.db2.gz IFLBIUSNCHOTIB-RTBURBONSA-N 2 2 307.441 3.132 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343834 1091588000 /nfs/dbraw/zinc/58/80/00/1091588000.db2.gz JDVGWMSUDWXLTJ-QGZVFWFLSA-N 2 2 307.388 3.268 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343834 1091588007 /nfs/dbraw/zinc/58/80/07/1091588007.db2.gz JDVGWMSUDWXLTJ-QGZVFWFLSA-N 2 2 307.388 3.268 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001206352057 1091590953 /nfs/dbraw/zinc/59/09/53/1091590953.db2.gz MWXWGULPTXLCOI-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001206352057 1091590958 /nfs/dbraw/zinc/59/09/58/1091590958.db2.gz MWXWGULPTXLCOI-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206549957 1091665327 /nfs/dbraw/zinc/66/53/27/1091665327.db2.gz RYKSJVIHNVIHTO-GOSISDBHSA-N 2 2 317.408 3.432 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206549957 1091665330 /nfs/dbraw/zinc/66/53/30/1091665330.db2.gz RYKSJVIHNVIHTO-GOSISDBHSA-N 2 2 317.408 3.432 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001206584500 1091678044 /nfs/dbraw/zinc/67/80/44/1091678044.db2.gz ZIOKCLMAVULKQT-KRWDZBQOSA-N 2 2 316.474 3.156 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001206584500 1091678048 /nfs/dbraw/zinc/67/80/48/1091678048.db2.gz ZIOKCLMAVULKQT-KRWDZBQOSA-N 2 2 316.474 3.156 20 0 DGADLP Cc1cc(Nc2c[nH+]c(N(C)C)cc2C)n(-c2cc[nH+]cc2)n1 ZINC001206729778 1091715005 /nfs/dbraw/zinc/71/50/05/1091715005.db2.gz QGSZIZZNOJQLKD-UHFFFAOYSA-N 2 2 308.389 3.089 20 0 DGADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(C(F)(F)F)c1 ZINC001206769252 1091732164 /nfs/dbraw/zinc/73/21/64/1091732164.db2.gz NRUCYSMCGLBZLU-NWDGAFQWSA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(C(F)(F)F)c1 ZINC001206769252 1091732168 /nfs/dbraw/zinc/73/21/68/1091732168.db2.gz NRUCYSMCGLBZLU-NWDGAFQWSA-N 2 2 316.367 3.273 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001140021000 1091741576 /nfs/dbraw/zinc/74/15/76/1091741576.db2.gz GXTVTYVHRWSNIW-HNAYVOBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001140021000 1091741580 /nfs/dbraw/zinc/74/15/80/1091741580.db2.gz GXTVTYVHRWSNIW-HNAYVOBHSA-N 2 2 313.445 3.164 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](CC)C3CC[NH+](C)CC3)c2c1 ZINC001140270347 1091811123 /nfs/dbraw/zinc/81/11/23/1091811123.db2.gz HSFMGUGCZITBKK-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](CC)C3CC[NH+](C)CC3)c2c1 ZINC001140270347 1091811129 /nfs/dbraw/zinc/81/11/29/1091811129.db2.gz HSFMGUGCZITBKK-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP C[N@@H+](Cc1ccncc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001140281815 1091814848 /nfs/dbraw/zinc/81/48/48/1091814848.db2.gz ILNBVTDLLMDRKW-UHFFFAOYSA-N 2 2 303.450 3.016 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1cccnc1 ZINC001140318472 1091823089 /nfs/dbraw/zinc/82/30/89/1091823089.db2.gz AUSSJBWSRGRMLQ-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1cccnc1 ZINC001140318472 1091823096 /nfs/dbraw/zinc/82/30/96/1091823096.db2.gz AUSSJBWSRGRMLQ-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(Cl)c34)C[C@H]2C1 ZINC001140437688 1091866379 /nfs/dbraw/zinc/86/63/79/1091866379.db2.gz IFVUJVNZDIBLGO-ZIAGYGMSSA-N 2 2 303.837 3.205 20 0 DGADLP Cc1cc(N2CC[NH+](CCC3CCCCC3)CC2)nc(C)[nH+]1 ZINC001207261975 1091902255 /nfs/dbraw/zinc/90/22/55/1091902255.db2.gz HTZZKCNUJWBCEO-UHFFFAOYSA-N 2 2 302.466 3.186 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284763 1091910331 /nfs/dbraw/zinc/91/03/31/1091910331.db2.gz QLTOJZCBNNUVJC-KRWDZBQOSA-N 2 2 322.518 3.373 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@H+]2CC(C)(C)C[NH+](C)C)c1 ZINC001207284763 1091910341 /nfs/dbraw/zinc/91/03/41/1091910341.db2.gz QLTOJZCBNNUVJC-KRWDZBQOSA-N 2 2 322.518 3.373 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001207283517 1091910660 /nfs/dbraw/zinc/91/06/60/1091910660.db2.gz ZWBCSSHSFRKPRB-JYJNAYRXSA-N 2 2 324.509 3.016 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001207283517 1091910666 /nfs/dbraw/zinc/91/06/66/1091910666.db2.gz ZWBCSSHSFRKPRB-JYJNAYRXSA-N 2 2 324.509 3.016 20 0 DGADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001140592666 1091924316 /nfs/dbraw/zinc/92/43/16/1091924316.db2.gz VHSUEZFFEGECNG-QGZVFWFLSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001140592666 1091924323 /nfs/dbraw/zinc/92/43/23/1091924323.db2.gz VHSUEZFFEGECNG-QGZVFWFLSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC001140662571 1091949802 /nfs/dbraw/zinc/94/98/02/1091949802.db2.gz ZDEZDPGDDPEGJF-KRWDZBQOSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC001140662571 1091949809 /nfs/dbraw/zinc/94/98/09/1091949809.db2.gz ZDEZDPGDDPEGJF-KRWDZBQOSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1cc(Br)c(F)cc1C[N@@H+](C)CCC[NH+](C)C ZINC001140794087 1092000811 /nfs/dbraw/zinc/00/08/11/1092000811.db2.gz WVWOEZDXMAOKRL-UHFFFAOYSA-N 2 2 317.246 3.280 20 0 DGADLP Cc1cc(Br)c(F)cc1C[N@H+](C)CCC[NH+](C)C ZINC001140794087 1092000822 /nfs/dbraw/zinc/00/08/22/1092000822.db2.gz WVWOEZDXMAOKRL-UHFFFAOYSA-N 2 2 317.246 3.280 20 0 DGADLP Fc1ccccc1N1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803060 1092008188 /nfs/dbraw/zinc/00/81/88/1092008188.db2.gz KERSZXFDLQWMHA-UHFFFAOYSA-N 2 2 310.376 3.024 20 0 DGADLP Cc1ccnc(OC2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140806693 1092012447 /nfs/dbraw/zinc/01/24/47/1092012447.db2.gz OGTWZDPEVVMNND-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207679239 1092068134 /nfs/dbraw/zinc/06/81/34/1092068134.db2.gz XAQVGWYTNXGAHI-INIZCTEOSA-N 2 2 307.482 3.487 20 0 DGADLP Cc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n[nH]1 ZINC001203082048 1092089820 /nfs/dbraw/zinc/08/98/20/1092089820.db2.gz JVKUDEOZFPNOSI-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP Cc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n[nH]1 ZINC001203082048 1092089826 /nfs/dbraw/zinc/08/98/26/1092089826.db2.gz JVKUDEOZFPNOSI-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC001207823947 1092109186 /nfs/dbraw/zinc/10/91/86/1092109186.db2.gz NXEDQPYBLPWWRI-UHFFFAOYSA-N 2 2 319.840 3.054 20 0 DGADLP C[C@@H](C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904219 1092135060 /nfs/dbraw/zinc/13/50/60/1092135060.db2.gz WCSBKFVZXWHRMQ-DZFGPLHGSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904219 1092135065 /nfs/dbraw/zinc/13/50/65/1092135065.db2.gz WCSBKFVZXWHRMQ-DZFGPLHGSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904219 1092135073 /nfs/dbraw/zinc/13/50/73/1092135073.db2.gz WCSBKFVZXWHRMQ-DZFGPLHGSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904219 1092135080 /nfs/dbraw/zinc/13/50/80/1092135080.db2.gz WCSBKFVZXWHRMQ-DZFGPLHGSA-N 2 2 321.468 3.249 20 0 DGADLP CCc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001141224692 1092183667 /nfs/dbraw/zinc/18/36/67/1092183667.db2.gz IPODOHLPLUMCIP-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001141224692 1092183671 /nfs/dbraw/zinc/18/36/71/1092183671.db2.gz IPODOHLPLUMCIP-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001141224692 1092183676 /nfs/dbraw/zinc/18/36/76/1092183676.db2.gz IPODOHLPLUMCIP-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001141224692 1092183677 /nfs/dbraw/zinc/18/36/77/1092183677.db2.gz IPODOHLPLUMCIP-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001208111360 1092200723 /nfs/dbraw/zinc/20/07/23/1092200723.db2.gz KYJITYJBWMVODD-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001208111360 1092200729 /nfs/dbraw/zinc/20/07/29/1092200729.db2.gz KYJITYJBWMVODD-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccc([C@@H](C)CC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)o1 ZINC001208155211 1092223726 /nfs/dbraw/zinc/22/37/26/1092223726.db2.gz KCHYQODZPLUOSI-HNNXBMFYSA-N 2 2 302.462 3.499 20 0 DGADLP Cc1ccc([C@@H](C)CC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)o1 ZINC001208155211 1092223735 /nfs/dbraw/zinc/22/37/35/1092223735.db2.gz KCHYQODZPLUOSI-HNNXBMFYSA-N 2 2 302.462 3.499 20 0 DGADLP Cc1nc(C(F)(F)F)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001141430666 1092242451 /nfs/dbraw/zinc/24/24/51/1092242451.db2.gz IOAXUAPTYMRAHV-UHFFFAOYSA-N 2 2 315.383 3.327 20 0 DGADLP Cc1nc(C(F)(F)F)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001141430666 1092242464 /nfs/dbraw/zinc/24/24/64/1092242464.db2.gz IOAXUAPTYMRAHV-UHFFFAOYSA-N 2 2 315.383 3.327 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2C1 ZINC001141652329 1092308962 /nfs/dbraw/zinc/30/89/62/1092308962.db2.gz JWLMLOVDZCRVAK-HOTGVXAUSA-N 2 2 313.420 3.148 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3coc4ccc(F)cc34)C[C@@H]2C1 ZINC001141856357 1092349295 /nfs/dbraw/zinc/34/92/95/1092349295.db2.gz CJZBEYHQLGOPHM-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3coc4ccc(F)cc34)C[C@@H]2C1 ZINC001141856357 1092349308 /nfs/dbraw/zinc/34/93/08/1092349308.db2.gz CJZBEYHQLGOPHM-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3coc4ccc(F)cc34)C[C@@H]2C1 ZINC001141856357 1092349318 /nfs/dbraw/zinc/34/93/18/1092349318.db2.gz CJZBEYHQLGOPHM-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3coc4ccc(F)cc34)C[C@@H]2C1 ZINC001141856357 1092349326 /nfs/dbraw/zinc/34/93/26/1092349326.db2.gz CJZBEYHQLGOPHM-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP Cc1cc([NH+]2CCCCC2)ccc1N(CC[NH3+])c1cccnc1 ZINC001168837924 1092390550 /nfs/dbraw/zinc/39/05/50/1092390550.db2.gz CFKMZTLACTUHBH-UHFFFAOYSA-N 2 2 310.445 3.477 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@H]2C1 ZINC001142185330 1092429794 /nfs/dbraw/zinc/42/97/94/1092429794.db2.gz VMULFLSCUKXTKP-IAGOWNOFSA-N 2 2 318.509 3.029 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208619937 1092432341 /nfs/dbraw/zinc/43/23/41/1092432341.db2.gz ZKPUNSMFWNDUEA-YJBOKZPZSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208619937 1092432351 /nfs/dbraw/zinc/43/23/51/1092432351.db2.gz ZKPUNSMFWNDUEA-YJBOKZPZSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@@H]2CSCC[NH+]2C[C@H]2CCC[N@H+](C)C2)c1 ZINC001208619937 1092432362 /nfs/dbraw/zinc/43/23/62/1092432362.db2.gz ZKPUNSMFWNDUEA-YJBOKZPZSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@@H]2CSCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001208619937 1092432373 /nfs/dbraw/zinc/43/23/73/1092432373.db2.gz ZKPUNSMFWNDUEA-YJBOKZPZSA-N 2 2 320.502 3.127 20 0 DGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001169061147 1092514959 /nfs/dbraw/zinc/51/49/59/1092514959.db2.gz JAIJGQCFXXSNSZ-HXUWFJFHSA-N 3 2 319.537 3.246 20 0 DGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001169061147 1092514971 /nfs/dbraw/zinc/51/49/71/1092514971.db2.gz JAIJGQCFXXSNSZ-HXUWFJFHSA-N 3 2 319.537 3.246 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169109018 1092554573 /nfs/dbraw/zinc/55/45/73/1092554573.db2.gz GDWLVJVGOKIDCR-ACDBMABISA-N 3 2 319.537 3.246 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169109018 1092554582 /nfs/dbraw/zinc/55/45/82/1092554582.db2.gz GDWLVJVGOKIDCR-ACDBMABISA-N 3 2 319.537 3.246 20 0 DGADLP CCC(=O)C(C)(C)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001208917579 1092585080 /nfs/dbraw/zinc/58/50/80/1092585080.db2.gz GVGCBIXUFZWDTB-GJZGRUSLSA-N 2 2 320.502 3.117 20 0 DGADLP Cc1ncc(C[N@H+](C)C[C@H]2CCC[NH+](Cc3ccccc3)C2)cn1 ZINC001208939198 1092599058 /nfs/dbraw/zinc/59/90/58/1092599058.db2.gz HJNKYYROLNBOEV-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP Cc1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](Cc3ccccc3)C2)cn1 ZINC001208939198 1092599067 /nfs/dbraw/zinc/59/90/67/1092599067.db2.gz HJNKYYROLNBOEV-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001208939198 1092599074 /nfs/dbraw/zinc/59/90/74/1092599074.db2.gz HJNKYYROLNBOEV-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001208939198 1092599082 /nfs/dbraw/zinc/59/90/82/1092599082.db2.gz HJNKYYROLNBOEV-LJQANCHMSA-N 2 2 324.472 3.129 20 0 DGADLP Oc1cccc2c1CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948100 1092605728 /nfs/dbraw/zinc/60/57/28/1092605728.db2.gz NPQGYIJXAYHKJI-GOSISDBHSA-N 2 2 322.452 3.272 20 0 DGADLP Oc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948100 1092605731 /nfs/dbraw/zinc/60/57/31/1092605731.db2.gz NPQGYIJXAYHKJI-GOSISDBHSA-N 2 2 322.452 3.272 20 0 DGADLP Oc1cccc2c1CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208948100 1092605734 /nfs/dbraw/zinc/60/57/34/1092605734.db2.gz NPQGYIJXAYHKJI-GOSISDBHSA-N 2 2 322.452 3.272 20 0 DGADLP Oc1cccc2c1CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208948100 1092605738 /nfs/dbraw/zinc/60/57/38/1092605738.db2.gz NPQGYIJXAYHKJI-GOSISDBHSA-N 2 2 322.452 3.272 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945606 1092606234 /nfs/dbraw/zinc/60/62/34/1092606234.db2.gz RXCOQYFNLAOEAT-QUCCMNQESA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945606 1092606235 /nfs/dbraw/zinc/60/62/35/1092606235.db2.gz RXCOQYFNLAOEAT-QUCCMNQESA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945606 1092606237 /nfs/dbraw/zinc/60/62/37/1092606237.db2.gz RXCOQYFNLAOEAT-QUCCMNQESA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCOC[C@H]3C3CC3)C2)cc1 ZINC001208945606 1092606238 /nfs/dbraw/zinc/60/62/38/1092606238.db2.gz RXCOQYFNLAOEAT-QUCCMNQESA-N 2 2 314.473 3.009 20 0 DGADLP c1cn2cc(C[NH+]3CCC4(COc5ccccc54)CC3)ccc2[nH+]1 ZINC001143034166 1092609444 /nfs/dbraw/zinc/60/94/44/1092609444.db2.gz YBXJRYUUGDHSCP-UHFFFAOYSA-N 2 2 319.408 3.261 20 0 DGADLP F[C@@H]1CSC2(C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953005 1092609637 /nfs/dbraw/zinc/60/96/37/1092609637.db2.gz NXVLPJMWCVHPIL-IRXDYDNUSA-N 2 2 320.477 3.038 20 0 DGADLP F[C@@H]1CSC2(C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953005 1092609640 /nfs/dbraw/zinc/60/96/40/1092609640.db2.gz NXVLPJMWCVHPIL-IRXDYDNUSA-N 2 2 320.477 3.038 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001169247053 1092614771 /nfs/dbraw/zinc/61/47/71/1092614771.db2.gz XLLHLQLEDFEHJB-UHFFFAOYSA-N 2 2 318.436 3.205 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082718 1092644904 /nfs/dbraw/zinc/64/49/04/1092644904.db2.gz BQMXWAGRPOZMDZ-KBPBESRZSA-N 2 2 313.272 3.419 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206632349 1092725373 /nfs/dbraw/zinc/72/53/73/1092725373.db2.gz JJYAKJJGLWHPCE-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206632349 1092725381 /nfs/dbraw/zinc/72/53/81/1092725381.db2.gz JJYAKJJGLWHPCE-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COC1CCC(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209401419 1092757720 /nfs/dbraw/zinc/75/77/20/1092757720.db2.gz PXKYTGKYZVUOIT-JCYILVPMSA-N 2 2 304.434 3.048 20 0 DGADLP COC1CCC(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209401419 1092757723 /nfs/dbraw/zinc/75/77/23/1092757723.db2.gz PXKYTGKYZVUOIT-JCYILVPMSA-N 2 2 304.434 3.048 20 0 DGADLP Clc1cnc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC001209601183 1092842854 /nfs/dbraw/zinc/84/28/54/1092842854.db2.gz WESNWTSJDHWVAA-UHFFFAOYSA-N 2 2 315.808 3.250 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725606 1092892910 /nfs/dbraw/zinc/89/29/10/1092892910.db2.gz PUZNZVQJQVGGNB-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725606 1092892913 /nfs/dbraw/zinc/89/29/13/1092892913.db2.gz PUZNZVQJQVGGNB-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725606 1092892917 /nfs/dbraw/zinc/89/29/17/1092892917.db2.gz PUZNZVQJQVGGNB-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725606 1092892920 /nfs/dbraw/zinc/89/29/20/1092892920.db2.gz PUZNZVQJQVGGNB-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754513 1092904022 /nfs/dbraw/zinc/90/40/22/1092904022.db2.gz CXYMDZFKLNMPIN-UHFFFAOYSA-N 2 2 306.841 3.134 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754513 1092904032 /nfs/dbraw/zinc/90/40/32/1092904032.db2.gz CXYMDZFKLNMPIN-UHFFFAOYSA-N 2 2 306.841 3.134 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3ccc4c[nH+]ccc4c3)nc2)CC1 ZINC001210043473 1093025553 /nfs/dbraw/zinc/02/55/53/1093025553.db2.gz FDYMGXKUJFOGDP-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3cccc4cc[nH+]cc43)nc2)CC1 ZINC001210222726 1093083398 /nfs/dbraw/zinc/08/33/98/1093083398.db2.gz VQBBEMDVSGDWOO-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CC[NH2+][C@H](C)CC2)c2ccccc12 ZINC001210520351 1093195552 /nfs/dbraw/zinc/19/55/52/1093195552.db2.gz YKCVPXYYFGOKMP-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CC[NH2+][C@H](C)CC2)c2ccccc12 ZINC001210520351 1093195556 /nfs/dbraw/zinc/19/55/56/1093195556.db2.gz YKCVPXYYFGOKMP-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2cccc(-c3ccc(F)cc3OC)c2)C1 ZINC001210560901 1093210505 /nfs/dbraw/zinc/21/05/05/1093210505.db2.gz CSANERZAZAQIRG-UHFFFAOYSA-N 2 2 314.404 3.153 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1c[nH+]ccc1N1CCOCC1 ZINC001213497343 1093597270 /nfs/dbraw/zinc/59/72/70/1093597270.db2.gz OPAUPZAMCDFMIF-UHFFFAOYSA-N 2 2 310.401 3.243 20 0 DGADLP CCN(C)c1ccc(Nc2cccc(C[NH+](C)C)c2F)c[nH+]1 ZINC001216228354 1094153087 /nfs/dbraw/zinc/15/30/87/1094153087.db2.gz BVSGZBPZLKFTFR-UHFFFAOYSA-N 2 2 302.397 3.482 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\Cl)c(C)[nH+]1 ZINC001135044769 1094380654 /nfs/dbraw/zinc/38/06/54/1094380654.db2.gz ZYRLSJQTQLDVQS-SLBFPRPFSA-N 2 2 323.868 3.246 20 0 DGADLP Cc1cccn2c(CN3CC4(C3)CC[N@@H+](C3CCCC3)C4)c[nH+]c12 ZINC001276754736 1094381634 /nfs/dbraw/zinc/38/16/34/1094381634.db2.gz YXOHTGXDKUHTAS-UHFFFAOYSA-N 2 2 324.472 3.093 20 0 DGADLP Cc1cccn2c(CN3CC4(C3)CC[N@H+](C3CCCC3)C4)c[nH+]c12 ZINC001276754736 1094381639 /nfs/dbraw/zinc/38/16/39/1094381639.db2.gz YXOHTGXDKUHTAS-UHFFFAOYSA-N 2 2 324.472 3.093 20 0 DGADLP C[NH+](C)Cc1ccc(-c2noc(-c3cccc4[nH+]ccn43)n2)cc1 ZINC001217500790 1094426425 /nfs/dbraw/zinc/42/64/25/1094426425.db2.gz LDFXOAMVAKAKJL-UHFFFAOYSA-N 2 2 319.368 3.113 20 0 DGADLP CCCC[NH+](CCCC)CCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217857619 1094504825 /nfs/dbraw/zinc/50/48/25/1094504825.db2.gz YKEVHKRDNVYCJG-HNNXBMFYSA-N 2 2 306.441 3.293 20 0 DGADLP Nc1cc[nH+]c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001218344564 1094728876 /nfs/dbraw/zinc/72/88/76/1094728876.db2.gz ZIZNKKLGAHZAOT-PIIMJCKOSA-N 2 2 309.413 3.238 20 0 DGADLP Nc1cc[nH+]c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001218344564 1094728888 /nfs/dbraw/zinc/72/88/88/1094728888.db2.gz ZIZNKKLGAHZAOT-PIIMJCKOSA-N 2 2 309.413 3.238 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945761 1094991203 /nfs/dbraw/zinc/99/12/03/1094991203.db2.gz XTSPDXACXMQBTN-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945761 1094991208 /nfs/dbraw/zinc/99/12/08/1094991208.db2.gz XTSPDXACXMQBTN-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945761 1094991215 /nfs/dbraw/zinc/99/12/15/1094991215.db2.gz XTSPDXACXMQBTN-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945761 1094991222 /nfs/dbraw/zinc/99/12/22/1094991222.db2.gz XTSPDXACXMQBTN-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220298565 1095078521 /nfs/dbraw/zinc/07/85/21/1095078521.db2.gz QETPCWANJACVAR-HAZIXKIPSA-N 2 2 315.461 3.068 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000316507093 1095176486 /nfs/dbraw/zinc/17/64/86/1095176486.db2.gz AXIISAIXEZHLPY-WMLDXEAASA-N 2 2 301.434 3.224 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171064615 1095241558 /nfs/dbraw/zinc/24/15/58/1095241558.db2.gz SDCXUWFJRAUMAL-GXFFZTMASA-N 2 2 301.261 3.390 20 0 DGADLP CCOc1c(F)cc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001143734536 1095355752 /nfs/dbraw/zinc/35/57/52/1095355752.db2.gz QZELPXWQZDJHDH-UHFFFAOYSA-N 2 2 314.832 3.404 20 0 DGADLP CCOc1c(F)cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001143734536 1095355764 /nfs/dbraw/zinc/35/57/64/1095355764.db2.gz QZELPXWQZDJHDH-UHFFFAOYSA-N 2 2 314.832 3.404 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3C)C[C@@H]2C1 ZINC001143929383 1095435340 /nfs/dbraw/zinc/43/53/40/1095435340.db2.gz JCRBJKXWUHEQMD-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3C)C[C@@H]2C1 ZINC001143929383 1095435349 /nfs/dbraw/zinc/43/53/49/1095435349.db2.gz JCRBJKXWUHEQMD-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3C)C[C@@H]2C1 ZINC001143929383 1095435354 /nfs/dbraw/zinc/43/53/54/1095435354.db2.gz JCRBJKXWUHEQMD-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3C)C[C@@H]2C1 ZINC001143929383 1095435361 /nfs/dbraw/zinc/43/53/61/1095435361.db2.gz JCRBJKXWUHEQMD-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP c1cn(CCO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001222138293 1095451005 /nfs/dbraw/zinc/45/10/05/1095451005.db2.gz DMHKYRAYVSJYFN-REPLKXPHSA-N 2 2 311.429 3.095 20 0 DGADLP c1cn(CCO[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001222138293 1095451011 /nfs/dbraw/zinc/45/10/11/1095451011.db2.gz DMHKYRAYVSJYFN-REPLKXPHSA-N 2 2 311.429 3.095 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC001222141414 1095453418 /nfs/dbraw/zinc/45/34/18/1095453418.db2.gz KTXFKUJTHRTGBL-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC001222141414 1095453422 /nfs/dbraw/zinc/45/34/22/1095453422.db2.gz KTXFKUJTHRTGBL-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP CCCn1cnc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166920 1095471407 /nfs/dbraw/zinc/47/14/07/1095471407.db2.gz GBGZRFFKVCEHQS-GOSISDBHSA-N 2 2 304.482 3.039 20 0 DGADLP CCCn1cnc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222166920 1095471413 /nfs/dbraw/zinc/47/14/13/1095471413.db2.gz GBGZRFFKVCEHQS-GOSISDBHSA-N 2 2 304.482 3.039 20 0 DGADLP CCOc1c(F)cc(C[N@H+](C)CCC[NH+]2CCCC2)cc1F ZINC001144026788 1095480953 /nfs/dbraw/zinc/48/09/53/1095480953.db2.gz PWABBHRMGQXBOZ-UHFFFAOYSA-N 2 2 312.404 3.281 20 0 DGADLP CCOc1c(F)cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1F ZINC001144026788 1095480960 /nfs/dbraw/zinc/48/09/60/1095480960.db2.gz PWABBHRMGQXBOZ-UHFFFAOYSA-N 2 2 312.404 3.281 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222190493 1095484525 /nfs/dbraw/zinc/48/45/25/1095484525.db2.gz CJFGVTSTLINVFZ-SFHVURJKSA-N 2 2 310.482 3.108 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222190493 1095484530 /nfs/dbraw/zinc/48/45/30/1095484530.db2.gz CJFGVTSTLINVFZ-SFHVURJKSA-N 2 2 310.482 3.108 20 0 DGADLP Fc1cc(F)c(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1F ZINC001222264506 1095519613 /nfs/dbraw/zinc/51/96/13/1095519613.db2.gz CJJMEHIBARYRHZ-QGZVFWFLSA-N 2 2 312.379 3.112 20 0 DGADLP Fc1cc(F)c(CC[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1F ZINC001222264506 1095519624 /nfs/dbraw/zinc/51/96/24/1095519624.db2.gz CJJMEHIBARYRHZ-QGZVFWFLSA-N 2 2 312.379 3.112 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222282796 1095527364 /nfs/dbraw/zinc/52/73/64/1095527364.db2.gz NXGGIWSIZCOTOX-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222282796 1095527375 /nfs/dbraw/zinc/52/73/75/1095527375.db2.gz NXGGIWSIZCOTOX-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)Oc1cccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222292487 1095534015 /nfs/dbraw/zinc/53/40/15/1095534015.db2.gz BRLYWOYURPFTQE-UHFFFAOYSA-N 2 2 310.388 3.396 20 0 DGADLP CCOc1cc(F)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222315206 1095544648 /nfs/dbraw/zinc/54/46/48/1095544648.db2.gz KWAKVBVJOIAFCE-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1cc(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1 ZINC001222315206 1095544655 /nfs/dbraw/zinc/54/46/55/1095544655.db2.gz KWAKVBVJOIAFCE-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP COc1cc(F)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222314518 1095544682 /nfs/dbraw/zinc/54/46/82/1095544682.db2.gz HBBCYOMSMBYHAJ-KRWDZBQOSA-N 2 2 310.388 3.082 20 0 DGADLP COc1cc(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222314518 1095544692 /nfs/dbraw/zinc/54/46/92/1095544692.db2.gz HBBCYOMSMBYHAJ-KRWDZBQOSA-N 2 2 310.388 3.082 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321335 1095550283 /nfs/dbraw/zinc/55/02/83/1095550283.db2.gz TUKZFPZQBOFGDV-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321335 1095550293 /nfs/dbraw/zinc/55/02/93/1095550293.db2.gz TUKZFPZQBOFGDV-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP COc1ccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390590 1095587648 /nfs/dbraw/zinc/58/76/48/1095587648.db2.gz RSJJFMZUDUGMTO-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP COc1ccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390590 1095587650 /nfs/dbraw/zinc/58/76/50/1095587650.db2.gz RSJJFMZUDUGMTO-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC001116583290 1095606933 /nfs/dbraw/zinc/60/69/33/1095606933.db2.gz GZTAUXJUADKYLX-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001116583290 1095606938 /nfs/dbraw/zinc/60/69/38/1095606938.db2.gz GZTAUXJUADKYLX-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)o3)C[C@H]2C1 ZINC001138178327 1095916340 /nfs/dbraw/zinc/91/63/40/1095916340.db2.gz BQUVPIHQJGVJPF-IAGOWNOFSA-N 2 2 317.477 3.044 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001118103325 1095936523 /nfs/dbraw/zinc/93/65/23/1095936523.db2.gz SDEVOGQVPBPLTE-STQMWFEESA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001118103325 1095936529 /nfs/dbraw/zinc/93/65/29/1095936529.db2.gz SDEVOGQVPBPLTE-STQMWFEESA-N 2 2 316.276 3.259 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])c2)[nH+]c1C ZINC001118219121 1095962852 /nfs/dbraw/zinc/96/28/52/1095962852.db2.gz PVFGQDBQEXAORN-CVEARBPZSA-N 2 2 312.417 3.150 20 0 DGADLP FC1(F)[C@@H]2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]21 ZINC001118484624 1096020854 /nfs/dbraw/zinc/02/08/54/1096020854.db2.gz LEQMQBXHRRMHOS-GDLCADMTSA-N 2 2 309.385 3.457 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246840799 1096026790 /nfs/dbraw/zinc/02/67/90/1096026790.db2.gz QBJCXYIAUWPRTM-WFASDCNBSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246840799 1096026803 /nfs/dbraw/zinc/02/68/03/1096026803.db2.gz QBJCXYIAUWPRTM-WFASDCNBSA-N 2 2 311.267 3.412 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC001171289700 1096124533 /nfs/dbraw/zinc/12/45/33/1096124533.db2.gz SGMNPHVCCXDNNP-KGLIPLIRSA-N 2 2 322.880 3.278 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001171289700 1096124536 /nfs/dbraw/zinc/12/45/36/1096124536.db2.gz SGMNPHVCCXDNNP-KGLIPLIRSA-N 2 2 322.880 3.278 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001119630552 1096236769 /nfs/dbraw/zinc/23/67/69/1096236769.db2.gz HANBAMMJRPOGTO-LSDHHAIUSA-N 2 2 320.502 3.218 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC001119691691 1096247273 /nfs/dbraw/zinc/24/72/73/1096247273.db2.gz OGMPLXJMNXKFGO-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC001119691691 1096247280 /nfs/dbraw/zinc/24/72/80/1096247280.db2.gz OGMPLXJMNXKFGO-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cc(N2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)cc[nH+]1 ZINC001277076296 1096541636 /nfs/dbraw/zinc/54/16/36/1096541636.db2.gz VUUQTTNENXFHAB-IBGZPJMESA-N 2 2 315.461 3.325 20 0 DGADLP COc1cc(N2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH+]1 ZINC001277076296 1096541642 /nfs/dbraw/zinc/54/16/42/1096541642.db2.gz VUUQTTNENXFHAB-IBGZPJMESA-N 2 2 315.461 3.325 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171405099 1096676172 /nfs/dbraw/zinc/67/61/72/1096676172.db2.gz QFCHYOBKFMVGFJ-WBVHZDCISA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)C[C@H](C(=O)N[C@H](C)CCCC[NH2+]C(C)C)n1cc[nH+]c1 ZINC001171409546 1096694629 /nfs/dbraw/zinc/69/46/29/1096694629.db2.gz OPLLRKNVHCFEMI-IAGOWNOFSA-N 2 2 322.497 3.143 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171471384 1096903377 /nfs/dbraw/zinc/90/33/77/1096903377.db2.gz HJIFFUFMSBUXRO-HNNXBMFYSA-N 2 2 313.351 3.260 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001171531376 1096908568 /nfs/dbraw/zinc/90/85/68/1096908568.db2.gz YFMMZTZLHFGDTN-GFCCVEGCSA-N 2 2 322.330 3.025 20 0 DGADLP Cc1[nH+]cn([C@H]2CCc3c(C)cccc3C2)c1CSCC[NH3+] ZINC001171553067 1096922146 /nfs/dbraw/zinc/92/21/46/1096922146.db2.gz LEZJSRQQNZBTNY-INIZCTEOSA-N 2 2 315.486 3.422 20 0 DGADLP CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639294 1096949833 /nfs/dbraw/zinc/94/98/33/1096949833.db2.gz DIGNHZMABFMYKG-HNNXBMFYSA-N 2 2 310.482 3.055 20 0 DGADLP CCOC(=O)[C@@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639294 1096949838 /nfs/dbraw/zinc/94/98/38/1096949838.db2.gz DIGNHZMABFMYKG-HNNXBMFYSA-N 2 2 310.482 3.055 20 0 DGADLP CCOC(=O)C1(C)CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001171956000 1097003795 /nfs/dbraw/zinc/00/37/95/1097003795.db2.gz IAEWGGMYDKWQEB-KSTDHSDQSA-N 2 2 319.449 3.035 20 0 DGADLP CC[N@H+](C1COC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988497 1097030142 /nfs/dbraw/zinc/03/01/42/1097030142.db2.gz RZKMAMISARCPQD-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP CC[N@@H+](C1COC1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988497 1097030145 /nfs/dbraw/zinc/03/01/45/1097030145.db2.gz RZKMAMISARCPQD-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP CC[NH+](C1COC1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988497 1097030149 /nfs/dbraw/zinc/03/01/49/1097030149.db2.gz RZKMAMISARCPQD-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP CC[NH+](C1COC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988497 1097030152 /nfs/dbraw/zinc/03/01/52/1097030152.db2.gz RZKMAMISARCPQD-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP CCC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078234 1097038450 /nfs/dbraw/zinc/03/84/50/1097038450.db2.gz XTQHKGPKHJKDMF-NNZMDNLPSA-N 2 2 300.446 3.141 20 0 DGADLP CCC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078234 1097038457 /nfs/dbraw/zinc/03/84/57/1097038457.db2.gz XTQHKGPKHJKDMF-NNZMDNLPSA-N 2 2 300.446 3.141 20 0 DGADLP NC1=C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC=C1 ZINC001172069087 1097046814 /nfs/dbraw/zinc/04/68/14/1097046814.db2.gz YSBDVBTXDXQMCO-ACDBMABISA-N 2 2 309.457 3.244 20 0 DGADLP NC1=C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC=C1 ZINC001172069087 1097046821 /nfs/dbraw/zinc/04/68/21/1097046821.db2.gz YSBDVBTXDXQMCO-ACDBMABISA-N 2 2 309.457 3.244 20 0 DGADLP NC1=C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC=C1 ZINC001172069087 1097046827 /nfs/dbraw/zinc/04/68/27/1097046827.db2.gz YSBDVBTXDXQMCO-ACDBMABISA-N 2 2 309.457 3.244 20 0 DGADLP NC1=C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC=C1 ZINC001172069087 1097046832 /nfs/dbraw/zinc/04/68/32/1097046832.db2.gz YSBDVBTXDXQMCO-ACDBMABISA-N 2 2 309.457 3.244 20 0 DGADLP COc1cccc2c1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172113768 1097060646 /nfs/dbraw/zinc/06/06/46/1097060646.db2.gz LTQNYRDIACSCTQ-FVQHAEBGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172113768 1097060653 /nfs/dbraw/zinc/06/06/53/1097060653.db2.gz LTQNYRDIACSCTQ-FVQHAEBGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172113768 1097060657 /nfs/dbraw/zinc/06/06/57/1097060657.db2.gz LTQNYRDIACSCTQ-FVQHAEBGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172113768 1097060663 /nfs/dbraw/zinc/06/06/63/1097060663.db2.gz LTQNYRDIACSCTQ-FVQHAEBGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172113767 1097061978 /nfs/dbraw/zinc/06/19/78/1097061978.db2.gz LTQNYRDIACSCTQ-BJWYYQGGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172113767 1097061981 /nfs/dbraw/zinc/06/19/81/1097061981.db2.gz LTQNYRDIACSCTQ-BJWYYQGGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172113767 1097061985 /nfs/dbraw/zinc/06/19/85/1097061985.db2.gz LTQNYRDIACSCTQ-BJWYYQGGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172113767 1097061987 /nfs/dbraw/zinc/06/19/87/1097061987.db2.gz LTQNYRDIACSCTQ-BJWYYQGGSA-N 2 2 300.446 3.069 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118193 1097064959 /nfs/dbraw/zinc/06/49/59/1097064959.db2.gz PEIUDAQJUYJPIB-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118193 1097064964 /nfs/dbraw/zinc/06/49/64/1097064964.db2.gz PEIUDAQJUYJPIB-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118193 1097064969 /nfs/dbraw/zinc/06/49/69/1097064969.db2.gz PEIUDAQJUYJPIB-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118193 1097064973 /nfs/dbraw/zinc/06/49/73/1097064973.db2.gz PEIUDAQJUYJPIB-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118190 1097065148 /nfs/dbraw/zinc/06/51/48/1097065148.db2.gz PEIUDAQJUYJPIB-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118190 1097065156 /nfs/dbraw/zinc/06/51/56/1097065156.db2.gz PEIUDAQJUYJPIB-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118190 1097065162 /nfs/dbraw/zinc/06/51/62/1097065162.db2.gz PEIUDAQJUYJPIB-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118190 1097065166 /nfs/dbraw/zinc/06/51/66/1097065166.db2.gz PEIUDAQJUYJPIB-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC001172280072 1097086510 /nfs/dbraw/zinc/08/65/10/1097086510.db2.gz SGIKNUBMFFYYRV-SFHVURJKSA-N 2 2 320.452 3.256 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(Br)c1 ZINC001206163849 1097093940 /nfs/dbraw/zinc/09/39/40/1097093940.db2.gz GRRCTUQTUGWUBC-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(Br)c1 ZINC001206163849 1097093946 /nfs/dbraw/zinc/09/39/46/1097093946.db2.gz GRRCTUQTUGWUBC-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172318975 1097099909 /nfs/dbraw/zinc/09/99/09/1097099909.db2.gz NKUWCNXUBOPGLU-IAGOWNOFSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172324000 1097101726 /nfs/dbraw/zinc/10/17/26/1097101726.db2.gz KOODSGUHYGVDSO-IAGOWNOFSA-N 2 2 319.493 3.481 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172292387 1097106922 /nfs/dbraw/zinc/10/69/22/1097106922.db2.gz LLJGFSSOXPFQSK-GOSISDBHSA-N 2 2 320.452 3.289 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172292387 1097106926 /nfs/dbraw/zinc/10/69/26/1097106926.db2.gz LLJGFSSOXPFQSK-GOSISDBHSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H]1C ZINC001172371367 1097128865 /nfs/dbraw/zinc/12/88/65/1097128865.db2.gz FDDRSWJRIMDSFF-QLFBSQMISA-N 2 2 314.433 3.102 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H]1C ZINC001172371367 1097128867 /nfs/dbraw/zinc/12/88/67/1097128867.db2.gz FDDRSWJRIMDSFF-QLFBSQMISA-N 2 2 314.433 3.102 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Br ZINC001206165867 1097176795 /nfs/dbraw/zinc/17/67/95/1097176795.db2.gz PMQMIRYJYOEXST-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Br ZINC001206165867 1097176796 /nfs/dbraw/zinc/17/67/96/1097176796.db2.gz PMQMIRYJYOEXST-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1[nH+]cn([C@H]2CCc3ccc(C)cc3C2)c1CSCC[NH3+] ZINC001172834994 1097251820 /nfs/dbraw/zinc/25/18/20/1097251820.db2.gz KNCMNESBTBWPDR-KRWDZBQOSA-N 2 2 315.486 3.422 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@H]2C1 ZINC001172862791 1097266203 /nfs/dbraw/zinc/26/62/03/1097266203.db2.gz UQMMZOVSSWCVFU-BFHYXJOUSA-N 2 2 310.844 3.294 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172871947 1097271408 /nfs/dbraw/zinc/27/14/08/1097271408.db2.gz NBPLTDICISRWCO-SUYBPPKGSA-N 2 2 310.844 3.294 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172871947 1097271415 /nfs/dbraw/zinc/27/14/15/1097271415.db2.gz NBPLTDICISRWCO-SUYBPPKGSA-N 2 2 310.844 3.294 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001173102551 1097328976 /nfs/dbraw/zinc/32/89/76/1097328976.db2.gz ABZNODQHTRFIRQ-LMDPOFIKSA-N 3 2 309.542 3.349 20 0 DGADLP Cc1cn2c(cccc2Nc2cccc(N3CC[NH+](C)CC3)c2)[nH+]1 ZINC001212709120 1097351459 /nfs/dbraw/zinc/35/14/59/1097351459.db2.gz CVSDXKKWHBCSGN-UHFFFAOYSA-N 2 2 321.428 3.138 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2OC)C1 ZINC001173277587 1097409766 /nfs/dbraw/zinc/40/97/66/1097409766.db2.gz UYFSRLFXMUMPCS-GSEOLPGOSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2OC)C1 ZINC001173277587 1097409770 /nfs/dbraw/zinc/40/97/70/1097409770.db2.gz UYFSRLFXMUMPCS-GSEOLPGOSA-N 2 2 316.489 3.444 20 0 DGADLP COC(=O)CCCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173456289 1097452310 /nfs/dbraw/zinc/45/23/10/1097452310.db2.gz BNXSJMCDFVUVHX-INIZCTEOSA-N 2 2 324.509 3.447 20 0 DGADLP COC(=O)CCCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173456289 1097452312 /nfs/dbraw/zinc/45/23/12/1097452312.db2.gz BNXSJMCDFVUVHX-INIZCTEOSA-N 2 2 324.509 3.447 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277451455 1097465136 /nfs/dbraw/zinc/46/51/36/1097465136.db2.gz BFDGUPLCHROFTP-VQIMIIECSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277451455 1097465140 /nfs/dbraw/zinc/46/51/40/1097465140.db2.gz BFDGUPLCHROFTP-VQIMIIECSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277451455 1097465143 /nfs/dbraw/zinc/46/51/43/1097465143.db2.gz BFDGUPLCHROFTP-VQIMIIECSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277451455 1097465145 /nfs/dbraw/zinc/46/51/45/1097465145.db2.gz BFDGUPLCHROFTP-VQIMIIECSA-N 2 2 318.509 3.241 20 0 DGADLP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700598 1097497656 /nfs/dbraw/zinc/49/76/56/1097497656.db2.gz LBWZVMSIIFLZRU-VQTJNVASSA-N 2 2 322.452 3.156 20 0 DGADLP [NH3+][C@H]1CC[N@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700598 1097497660 /nfs/dbraw/zinc/49/76/60/1097497660.db2.gz LBWZVMSIIFLZRU-VQTJNVASSA-N 2 2 322.452 3.156 20 0 DGADLP Cc1cn2cc(Nc3ccc(C[NH+]4CCOCC4)cc3)ccc2[nH+]1 ZINC001174448634 1097730775 /nfs/dbraw/zinc/73/07/75/1097730775.db2.gz VLFAWHBLTHHYCC-UHFFFAOYSA-N 2 2 322.412 3.219 20 0 DGADLP COCC[N@H+](Cc1cc(C)c(C)cc1C)C1CC[NH+](C)CC1 ZINC001231484149 1097758971 /nfs/dbraw/zinc/75/89/71/1097758971.db2.gz GNSXWVMUKPGBTB-UHFFFAOYSA-N 2 2 304.478 3.154 20 0 DGADLP COCC[N@@H+](Cc1cc(C)c(C)cc1C)C1CC[NH+](C)CC1 ZINC001231484149 1097758976 /nfs/dbraw/zinc/75/89/76/1097758976.db2.gz GNSXWVMUKPGBTB-UHFFFAOYSA-N 2 2 304.478 3.154 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)s1 ZINC001231502717 1097766065 /nfs/dbraw/zinc/76/60/65/1097766065.db2.gz WFMQARVUBQGURN-MRXNPFEDSA-N 2 2 322.518 3.386 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)s1 ZINC001231502717 1097766073 /nfs/dbraw/zinc/76/60/73/1097766073.db2.gz WFMQARVUBQGURN-MRXNPFEDSA-N 2 2 322.518 3.386 20 0 DGADLP CCc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001231640853 1097798239 /nfs/dbraw/zinc/79/82/39/1097798239.db2.gz OMLZOZTUJQOXGC-IBGZPJMESA-N 2 2 301.478 3.484 20 0 DGADLP CCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001231640853 1097798245 /nfs/dbraw/zinc/79/82/45/1097798245.db2.gz OMLZOZTUJQOXGC-IBGZPJMESA-N 2 2 301.478 3.484 20 0 DGADLP Cn1c[nH+]c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC001174814216 1097844211 /nfs/dbraw/zinc/84/42/11/1097844211.db2.gz FHEHQZPEDJKEBY-UHFFFAOYSA-N 2 2 321.428 3.069 20 0 DGADLP COc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c21 ZINC001231899859 1097884707 /nfs/dbraw/zinc/88/47/07/1097884707.db2.gz VSTYGNUUIQIRDP-UHFFFAOYSA-N 2 2 310.401 3.210 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c[nH]nc2c1 ZINC001231908326 1097888348 /nfs/dbraw/zinc/88/83/48/1097888348.db2.gz OZQLMZNTZQAZNR-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c[nH]nc2c1 ZINC001231908326 1097888352 /nfs/dbraw/zinc/88/83/52/1097888352.db2.gz OZQLMZNTZQAZNR-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cnc1F ZINC001231926333 1097893317 /nfs/dbraw/zinc/89/33/17/1097893317.db2.gz UBAQNSQEFDXHMD-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cnc1F ZINC001231926333 1097893322 /nfs/dbraw/zinc/89/33/22/1097893322.db2.gz UBAQNSQEFDXHMD-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cnc1F ZINC001231926333 1097893327 /nfs/dbraw/zinc/89/33/27/1097893327.db2.gz UBAQNSQEFDXHMD-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cnc1F ZINC001231926333 1097893333 /nfs/dbraw/zinc/89/33/33/1097893333.db2.gz UBAQNSQEFDXHMD-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Fc1ccccc1C[NH+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014078 1097918165 /nfs/dbraw/zinc/91/81/65/1097918165.db2.gz JKEFYDUGTPKWRR-UHFFFAOYSA-N 2 2 324.403 3.020 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCC[C@H](C)C2)CC1 ZINC001175095662 1097945252 /nfs/dbraw/zinc/94/52/52/1097945252.db2.gz GJAWXYIMHQYCCZ-ZWKOTPCHSA-N 2 2 308.510 3.390 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001175095660 1097945755 /nfs/dbraw/zinc/94/57/55/1097945755.db2.gz GJAWXYIMHQYCCZ-QZTJIDSGSA-N 2 2 308.510 3.390 20 0 DGADLP Fc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccnc12 ZINC001232212499 1097966873 /nfs/dbraw/zinc/96/68/73/1097966873.db2.gz SXIKQPRGYJYWMT-UHFFFAOYSA-N 2 2 310.376 3.408 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)C[C@H]2C1 ZINC001232220217 1097971861 /nfs/dbraw/zinc/97/18/61/1097971861.db2.gz HORUOXNZDGQLMI-IAGOWNOFSA-N 2 2 301.478 3.153 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC001232278849 1097989701 /nfs/dbraw/zinc/98/97/01/1097989701.db2.gz HUURWBNRFGSNDO-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001175351326 1098020525 /nfs/dbraw/zinc/02/05/25/1098020525.db2.gz KWKBHMLRXNZCBO-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001175351326 1098020530 /nfs/dbraw/zinc/02/05/30/1098020530.db2.gz KWKBHMLRXNZCBO-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP CC[N@H+](Cc1cc(OC)ccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001232393257 1098024322 /nfs/dbraw/zinc/02/43/22/1098024322.db2.gz XAYCFJTWUHZBQB-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[N@@H+](Cc1cc(OC)ccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001232393257 1098024327 /nfs/dbraw/zinc/02/43/27/1098024327.db2.gz XAYCFJTWUHZBQB-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP Cc1[nH]c(CN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC001232465987 1098045903 /nfs/dbraw/zinc/04/59/03/1098045903.db2.gz SMKYXXMLRZLLAZ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1[nH]c(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC001232465987 1098045909 /nfs/dbraw/zinc/04/59/09/1098045909.db2.gz SMKYXXMLRZLLAZ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503670 1098073904 /nfs/dbraw/zinc/07/39/04/1098073904.db2.gz SJBJQHYXLDKCMB-SJORKVTESA-N 2 2 322.497 3.289 20 0 DGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643768 1098112958 /nfs/dbraw/zinc/11/29/58/1098112958.db2.gz GJRUQBLTVMGKKB-JKSUJKDBSA-N 2 2 322.497 3.043 20 0 DGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643768 1098112961 /nfs/dbraw/zinc/11/29/61/1098112961.db2.gz GJRUQBLTVMGKKB-JKSUJKDBSA-N 2 2 322.497 3.043 20 0 DGADLP Clc1ccc2cc(C[N@H+]3CCc4[nH+]ccn4CC3)[nH]c2c1 ZINC001232732967 1098122144 /nfs/dbraw/zinc/12/21/44/1098122144.db2.gz CTPFIGRYBDYCOV-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1ccc2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)[nH]c2c1 ZINC001232732967 1098122146 /nfs/dbraw/zinc/12/21/46/1098122146.db2.gz CTPFIGRYBDYCOV-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735300 1098123467 /nfs/dbraw/zinc/12/34/67/1098123467.db2.gz RVOAYQLUZWLUDG-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735300 1098123471 /nfs/dbraw/zinc/12/34/71/1098123471.db2.gz RVOAYQLUZWLUDG-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735300 1098123473 /nfs/dbraw/zinc/12/34/73/1098123473.db2.gz RVOAYQLUZWLUDG-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735300 1098123477 /nfs/dbraw/zinc/12/34/77/1098123477.db2.gz RVOAYQLUZWLUDG-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP CC[N@H+](Cc1ccccc1)C1CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233371166 1098305042 /nfs/dbraw/zinc/30/50/42/1098305042.db2.gz CNWLJEGYYWJBJC-UHFFFAOYSA-N 2 2 324.472 3.150 20 0 DGADLP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233371166 1098305050 /nfs/dbraw/zinc/30/50/50/1098305050.db2.gz CNWLJEGYYWJBJC-UHFFFAOYSA-N 2 2 324.472 3.150 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3csc(Br)c3)C2)CC1 ZINC001233414687 1098320992 /nfs/dbraw/zinc/32/09/92/1098320992.db2.gz BIQSGZMYXRQYKT-UHFFFAOYSA-N 2 2 315.280 3.038 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC001176985693 1098459741 /nfs/dbraw/zinc/45/97/41/1098459741.db2.gz XTSOTLLTXMZSGJ-QGZVFWFLSA-N 2 2 312.461 3.455 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC001176985693 1098459744 /nfs/dbraw/zinc/45/97/44/1098459744.db2.gz XTSOTLLTXMZSGJ-QGZVFWFLSA-N 2 2 312.461 3.455 20 0 DGADLP C[C@H](c1ccc(F)nc1)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177015471 1098463202 /nfs/dbraw/zinc/46/32/02/1098463202.db2.gz IXKOQYLLLQLWNR-OLMNPRSZSA-N 2 2 303.425 3.090 20 0 DGADLP C[C@H](c1ccc(F)nc1)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177015471 1098463205 /nfs/dbraw/zinc/46/32/05/1098463205.db2.gz IXKOQYLLLQLWNR-OLMNPRSZSA-N 2 2 303.425 3.090 20 0 DGADLP C[C@H](c1ccc(F)nc1)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177015471 1098463207 /nfs/dbraw/zinc/46/32/07/1098463207.db2.gz IXKOQYLLLQLWNR-OLMNPRSZSA-N 2 2 303.425 3.090 20 0 DGADLP C[C@H](c1ccc(F)nc1)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177015471 1098463209 /nfs/dbraw/zinc/46/32/09/1098463209.db2.gz IXKOQYLLLQLWNR-OLMNPRSZSA-N 2 2 303.425 3.090 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]c(=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001234017392 1098477715 /nfs/dbraw/zinc/47/77/15/1098477715.db2.gz YMHQOKKJFFNIIG-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]c(=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001234017392 1098477721 /nfs/dbraw/zinc/47/77/21/1098477721.db2.gz YMHQOKKJFFNIIG-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](F)CC2)ccc1-n1cc[nH+]c1 ZINC001234032411 1098481365 /nfs/dbraw/zinc/48/13/65/1098481365.db2.gz HZLKZDFBQAUDKO-OAHLLOKOSA-N 2 2 303.381 3.205 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](F)CC2)ccc1-n1cc[nH+]c1 ZINC001234032411 1098481368 /nfs/dbraw/zinc/48/13/68/1098481368.db2.gz HZLKZDFBQAUDKO-OAHLLOKOSA-N 2 2 303.381 3.205 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2cccs2)n1 ZINC001177231279 1098498467 /nfs/dbraw/zinc/49/84/67/1098498467.db2.gz JIJQQKVTPXCTDO-LLVKDONJSA-N 2 2 304.444 3.246 20 0 DGADLP Fc1ccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001177240667 1098500698 /nfs/dbraw/zinc/50/06/98/1098500698.db2.gz PWEBZOZBVSYSCI-UHFFFAOYSA-N 2 2 317.389 3.242 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992581 1098736290 /nfs/dbraw/zinc/73/62/90/1098736290.db2.gz KTXWAOXUCUJKPP-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992581 1098736291 /nfs/dbraw/zinc/73/62/91/1098736291.db2.gz KTXWAOXUCUJKPP-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(N2CCCC2)c1 ZINC001234997190 1098741333 /nfs/dbraw/zinc/74/13/33/1098741333.db2.gz IJMPHJPKBPZWGS-LJQANCHMSA-N 2 2 317.452 3.001 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(N2CCCC2)c1 ZINC001234997190 1098741343 /nfs/dbraw/zinc/74/13/43/1098741343.db2.gz IJMPHJPKBPZWGS-LJQANCHMSA-N 2 2 317.452 3.001 20 0 DGADLP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041064 1098769145 /nfs/dbraw/zinc/76/91/45/1098769145.db2.gz XKTSXQAHKAFJPP-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041064 1098769153 /nfs/dbraw/zinc/76/91/53/1098769153.db2.gz XKTSXQAHKAFJPP-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235044792 1098771228 /nfs/dbraw/zinc/77/12/28/1098771228.db2.gz KRFHFUMKRWQNJM-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235044792 1098771235 /nfs/dbraw/zinc/77/12/35/1098771235.db2.gz KRFHFUMKRWQNJM-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235046244 1098774038 /nfs/dbraw/zinc/77/40/38/1098774038.db2.gz OARKCGLNMVSDIW-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235046244 1098774046 /nfs/dbraw/zinc/77/40/46/1098774046.db2.gz OARKCGLNMVSDIW-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP Cc1c2ccccc2sc1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235117272 1098818550 /nfs/dbraw/zinc/81/85/50/1098818550.db2.gz ZSWXKTMILMMZSK-SFHVURJKSA-N 2 2 316.470 3.164 20 0 DGADLP C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409466 1098825446 /nfs/dbraw/zinc/82/54/46/1098825446.db2.gz URKBFNHYGYJLRL-CQSZACIVSA-N 2 2 321.428 3.334 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001235184400 1098863121 /nfs/dbraw/zinc/86/31/21/1098863121.db2.gz KKGPVWYRTRPWEG-NEPJUHHUSA-N 2 2 318.770 3.400 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001235184400 1098863125 /nfs/dbraw/zinc/86/31/25/1098863125.db2.gz KKGPVWYRTRPWEG-NEPJUHHUSA-N 2 2 318.770 3.400 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC001235199463 1098875025 /nfs/dbraw/zinc/87/50/25/1098875025.db2.gz ZZDZPSIGKPVOBK-HUUCEWRRSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC001235199463 1098875037 /nfs/dbraw/zinc/87/50/37/1098875037.db2.gz ZZDZPSIGKPVOBK-HUUCEWRRSA-N 2 2 323.278 3.107 20 0 DGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212977 1098885453 /nfs/dbraw/zinc/88/54/53/1098885453.db2.gz HEJOWAVGQOREOK-SZVBFZGTSA-N 2 2 300.490 3.456 20 0 DGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212977 1098885463 /nfs/dbraw/zinc/88/54/63/1098885463.db2.gz HEJOWAVGQOREOK-SZVBFZGTSA-N 2 2 300.490 3.456 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC001235225313 1098897765 /nfs/dbraw/zinc/89/77/65/1098897765.db2.gz SCAKISLDHNMVCR-WFASDCNBSA-N 2 2 310.319 3.017 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC001235225313 1098897772 /nfs/dbraw/zinc/89/77/72/1098897772.db2.gz SCAKISLDHNMVCR-WFASDCNBSA-N 2 2 310.319 3.017 20 0 DGADLP Oc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1F ZINC001235230902 1098903671 /nfs/dbraw/zinc/90/36/71/1098903671.db2.gz WYRMROFZZQOZPC-AWEZNQCLSA-N 2 2 310.388 3.025 20 0 DGADLP Oc1c(F)ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235243238 1098915799 /nfs/dbraw/zinc/91/57/99/1098915799.db2.gz WOCKEQXMMIEPSZ-OAHLLOKOSA-N 2 2 310.388 3.025 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(OC(F)(F)F)c1 ZINC001235244450 1098918216 /nfs/dbraw/zinc/91/82/16/1098918216.db2.gz BWBVXIXZUGJLHT-UKRRQHHQSA-N 2 2 314.351 3.207 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(OC(F)(F)F)c1 ZINC001235244450 1098918228 /nfs/dbraw/zinc/91/82/28/1098918228.db2.gz BWBVXIXZUGJLHT-UKRRQHHQSA-N 2 2 314.351 3.207 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(F)c(-c3ccncc3)c1)C2 ZINC001235248156 1098920787 /nfs/dbraw/zinc/92/07/87/1098920787.db2.gz OTMZJEXWYWVZIK-VQIMIIECSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(F)c(-c3ccncc3)c1)C2 ZINC001235248156 1098920793 /nfs/dbraw/zinc/92/07/93/1098920793.db2.gz OTMZJEXWYWVZIK-VQIMIIECSA-N 2 2 311.404 3.201 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235246290 1098921030 /nfs/dbraw/zinc/92/10/30/1098921030.db2.gz XIUZUJOOQDIMEZ-CRAIPNDOSA-N 2 2 313.470 3.432 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235246290 1098921034 /nfs/dbraw/zinc/92/10/34/1098921034.db2.gz XIUZUJOOQDIMEZ-CRAIPNDOSA-N 2 2 313.470 3.432 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)ccc1O ZINC001235251132 1098922029 /nfs/dbraw/zinc/92/20/29/1098922029.db2.gz MKXJSDWSTQEWBF-TZIWHRDSSA-N 2 2 322.452 3.422 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)ccc1O ZINC001235251132 1098922039 /nfs/dbraw/zinc/92/20/39/1098922039.db2.gz MKXJSDWSTQEWBF-TZIWHRDSSA-N 2 2 322.452 3.422 20 0 DGADLP CC(C)c1cc(Br)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235253146 1098924127 /nfs/dbraw/zinc/92/41/27/1098924127.db2.gz CFTRNSMMAQYMCS-NOLJZWGESA-N 2 2 323.278 3.494 20 0 DGADLP CC(C)c1cc(Br)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235253146 1098924138 /nfs/dbraw/zinc/92/41/38/1098924138.db2.gz CFTRNSMMAQYMCS-NOLJZWGESA-N 2 2 323.278 3.494 20 0 DGADLP Clc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)nc1 ZINC001235255478 1098927642 /nfs/dbraw/zinc/92/76/42/1098927642.db2.gz IVBYKTOCSGWTOM-QAPCUYQASA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)nc1 ZINC001235255478 1098927651 /nfs/dbraw/zinc/92/76/51/1098927651.db2.gz IVBYKTOCSGWTOM-QAPCUYQASA-N 2 2 313.832 3.196 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)ccc1OCc1ccccc1 ZINC001235256967 1098929755 /nfs/dbraw/zinc/92/97/55/1098929755.db2.gz HRDJHZFGRUAAOJ-VQTJNVASSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)ccc1OCc1ccccc1 ZINC001235256967 1098929759 /nfs/dbraw/zinc/92/97/59/1098929759.db2.gz HRDJHZFGRUAAOJ-VQTJNVASSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235270843 1098939561 /nfs/dbraw/zinc/93/95/61/1098939561.db2.gz NMOGZJDXHZSBHX-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235270843 1098939564 /nfs/dbraw/zinc/93/95/64/1098939564.db2.gz NMOGZJDXHZSBHX-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cnc(F)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001235337782 1098962897 /nfs/dbraw/zinc/96/28/97/1098962897.db2.gz GFIMJQZGSKCKFK-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cnc(F)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001235337782 1098962908 /nfs/dbraw/zinc/96/29/08/1098962908.db2.gz GFIMJQZGSKCKFK-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cnc(F)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001235337782 1098962915 /nfs/dbraw/zinc/96/29/15/1098962915.db2.gz GFIMJQZGSKCKFK-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cnc(F)c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001235337782 1098962921 /nfs/dbraw/zinc/96/29/21/1098962921.db2.gz GFIMJQZGSKCKFK-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1C1CC1 ZINC001235399167 1098995849 /nfs/dbraw/zinc/99/58/49/1098995849.db2.gz BNXOGGURRCGPOB-ROUUACIJSA-N 2 2 306.400 3.227 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1C1CC1 ZINC001235399167 1098995856 /nfs/dbraw/zinc/99/58/56/1098995856.db2.gz BNXOGGURRCGPOB-ROUUACIJSA-N 2 2 306.400 3.227 20 0 DGADLP Fc1ccc(CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235400385 1098996828 /nfs/dbraw/zinc/99/68/28/1098996828.db2.gz CNQXAVWHAYWVHB-HZPDHXFCSA-N 2 2 314.807 3.045 20 0 DGADLP Fc1ccc(CC[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235400385 1098996836 /nfs/dbraw/zinc/99/68/36/1098996836.db2.gz CNQXAVWHAYWVHB-HZPDHXFCSA-N 2 2 314.807 3.045 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409379 1099005719 /nfs/dbraw/zinc/00/57/19/1099005719.db2.gz WLZAHDQGXREGPK-IRXDYDNUSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409379 1099005730 /nfs/dbraw/zinc/00/57/30/1099005730.db2.gz WLZAHDQGXREGPK-IRXDYDNUSA-N 2 2 321.827 3.345 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277948363 1099062006 /nfs/dbraw/zinc/06/20/06/1099062006.db2.gz CMXMZJNJXDGQTD-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277948363 1099062019 /nfs/dbraw/zinc/06/20/19/1099062019.db2.gz CMXMZJNJXDGQTD-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277948363 1099062029 /nfs/dbraw/zinc/06/20/29/1099062029.db2.gz CMXMZJNJXDGQTD-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277948363 1099062042 /nfs/dbraw/zinc/06/20/42/1099062042.db2.gz CMXMZJNJXDGQTD-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP c1nc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2s1 ZINC001179315065 1099067412 /nfs/dbraw/zinc/06/74/12/1099067412.db2.gz ISMCEOGPRFYWAM-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2s1 ZINC001179315065 1099067423 /nfs/dbraw/zinc/06/74/23/1099067423.db2.gz ISMCEOGPRFYWAM-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001235674508 1099117989 /nfs/dbraw/zinc/11/79/89/1099117989.db2.gz GNSAXZABTAWECG-JTQLQIEISA-N 2 2 322.758 3.409 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001235674508 1099117993 /nfs/dbraw/zinc/11/79/93/1099117993.db2.gz GNSAXZABTAWECG-JTQLQIEISA-N 2 2 322.758 3.409 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679896 1099124246 /nfs/dbraw/zinc/12/42/46/1099124246.db2.gz SAHXYOXNCRRQPF-UYAOXDASSA-N 2 2 310.441 3.402 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235679896 1099124254 /nfs/dbraw/zinc/12/42/54/1099124254.db2.gz SAHXYOXNCRRQPF-UYAOXDASSA-N 2 2 310.441 3.402 20 0 DGADLP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1cccc(C(F)(F)F)c1 ZINC001235724193 1099147899 /nfs/dbraw/zinc/14/78/99/1099147899.db2.gz DIOBDIICMKNZSB-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1cccc(C(F)(F)F)c1 ZINC001235724193 1099147903 /nfs/dbraw/zinc/14/79/03/1099147903.db2.gz DIOBDIICMKNZSB-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP CCc1cc(Br)ccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC001235751713 1099165661 /nfs/dbraw/zinc/16/56/61/1099165661.db2.gz AFRAOBMGHIDHOY-UHFFFAOYSA-N 2 2 311.267 3.325 20 0 DGADLP CCCCC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705523 1099179193 /nfs/dbraw/zinc/17/91/93/1099179193.db2.gz HRXYXPCMKVCNRX-KRWDZBQOSA-N 2 2 322.497 3.291 20 0 DGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705964 1099179641 /nfs/dbraw/zinc/17/96/41/1099179641.db2.gz QCDBTEWYISWBSR-SJORKVTESA-N 2 2 322.497 3.147 20 0 DGADLP CCCc1ccc(C[N@@H+](CCCOC)[C@H]2CCC[NH2+]C2)cc1 ZINC001235803927 1099187367 /nfs/dbraw/zinc/18/73/67/1099187367.db2.gz AAIIUCMJZWXALQ-IBGZPJMESA-N 2 2 304.478 3.230 20 0 DGADLP CCCc1ccc(C[N@H+](CCCOC)[C@H]2CCC[NH2+]C2)cc1 ZINC001235803927 1099187362 /nfs/dbraw/zinc/18/73/62/1099187362.db2.gz AAIIUCMJZWXALQ-IBGZPJMESA-N 2 2 304.478 3.230 20 0 DGADLP CCCc1ccc(C[N@H+](CCCOC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001235803932 1099187700 /nfs/dbraw/zinc/18/77/00/1099187700.db2.gz AAIIUCMJZWXALQ-LJQANCHMSA-N 2 2 304.478 3.230 20 0 DGADLP CCCc1ccc(C[N@@H+](CCCOC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001235803932 1099187705 /nfs/dbraw/zinc/18/77/05/1099187705.db2.gz AAIIUCMJZWXALQ-LJQANCHMSA-N 2 2 304.478 3.230 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+]2C)c1C ZINC001179734066 1099188282 /nfs/dbraw/zinc/18/82/82/1099188282.db2.gz ORLGVUWGGLONRS-KRWDZBQOSA-N 2 2 304.478 3.332 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CCCC[N@H+]2C)c1C ZINC001179734066 1099188285 /nfs/dbraw/zinc/18/82/85/1099188285.db2.gz ORLGVUWGGLONRS-KRWDZBQOSA-N 2 2 304.478 3.332 20 0 DGADLP COCCC[N@H+](Cc1ccccc1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001235807763 1099189256 /nfs/dbraw/zinc/18/92/56/1099189256.db2.gz WDFDQDUUUHXAML-GOSISDBHSA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@@H+](Cc1ccccc1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001235807763 1099189260 /nfs/dbraw/zinc/18/92/60/1099189260.db2.gz WDFDQDUUUHXAML-GOSISDBHSA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001235810106 1099191058 /nfs/dbraw/zinc/19/10/58/1099191058.db2.gz MVYPUEDVXZCQSK-OAHLLOKOSA-N 2 2 320.408 3.162 20 0 DGADLP COCCC[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001235810106 1099191066 /nfs/dbraw/zinc/19/10/66/1099191066.db2.gz MVYPUEDVXZCQSK-OAHLLOKOSA-N 2 2 320.408 3.162 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1Cl ZINC001179816535 1099212221 /nfs/dbraw/zinc/21/22/21/1099212221.db2.gz MEDNWOUQLBOJRV-NUEKZKHPSA-N 2 2 324.900 3.075 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1Cl ZINC001179816535 1099212215 /nfs/dbraw/zinc/21/22/15/1099212215.db2.gz MEDNWOUQLBOJRV-NUEKZKHPSA-N 2 2 324.900 3.075 20 0 DGADLP Fc1ccc([C@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235865838 1099227682 /nfs/dbraw/zinc/22/76/82/1099227682.db2.gz SJKVAUGAGQIBST-DLBZAZTESA-N 2 2 308.466 3.448 20 0 DGADLP Fc1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235865838 1099227693 /nfs/dbraw/zinc/22/76/93/1099227693.db2.gz SJKVAUGAGQIBST-DLBZAZTESA-N 2 2 308.466 3.448 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cc(O)cc(Cl)c2)C1 ZINC001235904739 1099248019 /nfs/dbraw/zinc/24/80/19/1099248019.db2.gz PONHBHLGFBMJRR-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cc(O)cc(Cl)c2)C1 ZINC001235904739 1099248026 /nfs/dbraw/zinc/24/80/26/1099248026.db2.gz PONHBHLGFBMJRR-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1F ZINC001235909503 1099252245 /nfs/dbraw/zinc/25/22/45/1099252245.db2.gz DMRIXJNCFUKBLC-UONOGXRCSA-N 2 2 305.224 3.297 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1F ZINC001235909503 1099252253 /nfs/dbraw/zinc/25/22/53/1099252253.db2.gz DMRIXJNCFUKBLC-UONOGXRCSA-N 2 2 305.224 3.297 20 0 DGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909088 1099252770 /nfs/dbraw/zinc/25/27/70/1099252770.db2.gz YYIJUZWKIPRMHH-WBVHZDCISA-N 2 2 320.440 3.337 20 0 DGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909088 1099252777 /nfs/dbraw/zinc/25/27/77/1099252777.db2.gz YYIJUZWKIPRMHH-WBVHZDCISA-N 2 2 320.440 3.337 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235937538 1099272889 /nfs/dbraw/zinc/27/28/89/1099272889.db2.gz INGHWPMKIAUZGP-HIFRSBDPSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235937538 1099272901 /nfs/dbraw/zinc/27/29/01/1099272901.db2.gz INGHWPMKIAUZGP-HIFRSBDPSA-N 2 2 308.853 3.169 20 0 DGADLP COc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1OC1CCCC1 ZINC001235948448 1099280378 /nfs/dbraw/zinc/28/03/78/1099280378.db2.gz WJEXRJQWTSWAFC-UHFFFAOYSA-N 2 2 306.450 3.186 20 0 DGADLP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1OC1CCCC1 ZINC001235948448 1099280389 /nfs/dbraw/zinc/28/03/89/1099280389.db2.gz WJEXRJQWTSWAFC-UHFFFAOYSA-N 2 2 306.450 3.186 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001235958382 1099289629 /nfs/dbraw/zinc/28/96/29/1099289629.db2.gz HSUZUQUPHUJZRN-RTWAWAEBSA-N 2 2 324.468 3.238 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001235958382 1099289632 /nfs/dbraw/zinc/28/96/32/1099289632.db2.gz HSUZUQUPHUJZRN-RTWAWAEBSA-N 2 2 324.468 3.238 20 0 DGADLP CC[N@H+](Cc1ccccc1C1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC001236007814 1099329657 /nfs/dbraw/zinc/32/96/57/1099329657.db2.gz BSOHDYWMBPGNTB-SFHVURJKSA-N 2 2 302.462 3.155 20 0 DGADLP CC[N@@H+](Cc1ccccc1C1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC001236007814 1099329669 /nfs/dbraw/zinc/32/96/69/1099329669.db2.gz BSOHDYWMBPGNTB-SFHVURJKSA-N 2 2 302.462 3.155 20 0 DGADLP Clc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)s1 ZINC001236012521 1099335429 /nfs/dbraw/zinc/33/54/29/1099335429.db2.gz NZPHYUVWXNOIIC-PBHICJAKSA-N 2 2 318.873 3.375 20 0 DGADLP Clc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)s1 ZINC001236012521 1099335441 /nfs/dbraw/zinc/33/54/41/1099335441.db2.gz NZPHYUVWXNOIIC-PBHICJAKSA-N 2 2 318.873 3.375 20 0 DGADLP Fc1ccc(OCC2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236045470 1099348000 /nfs/dbraw/zinc/34/80/00/1099348000.db2.gz UJPOSPPLCMOWOB-KRWDZBQOSA-N 2 2 306.425 3.059 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)c2ccccc2F)cc1 ZINC001236143874 1099429858 /nfs/dbraw/zinc/42/98/58/1099429858.db2.gz MCZLGNVAIFIWQN-UHFFFAOYSA-N 2 2 301.409 3.374 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)c2ccccc2F)cc1 ZINC001236143874 1099429859 /nfs/dbraw/zinc/42/98/59/1099429859.db2.gz MCZLGNVAIFIWQN-UHFFFAOYSA-N 2 2 301.409 3.374 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001236170176 1099443947 /nfs/dbraw/zinc/44/39/47/1099443947.db2.gz HYTPVHGUFDWWHN-OAHLLOKOSA-N 2 2 305.219 3.135 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001236170176 1099443953 /nfs/dbraw/zinc/44/39/53/1099443953.db2.gz HYTPVHGUFDWWHN-OAHLLOKOSA-N 2 2 305.219 3.135 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001236173698 1099445982 /nfs/dbraw/zinc/44/59/82/1099445982.db2.gz PACMVGVHROCOEP-AWEZNQCLSA-N 2 2 305.784 3.074 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001236173698 1099445987 /nfs/dbraw/zinc/44/59/87/1099445987.db2.gz PACMVGVHROCOEP-AWEZNQCLSA-N 2 2 305.784 3.074 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217274 1099474157 /nfs/dbraw/zinc/47/41/57/1099474157.db2.gz OULRDOHPDUMPPR-CABCVRRESA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217274 1099474161 /nfs/dbraw/zinc/47/41/61/1099474161.db2.gz OULRDOHPDUMPPR-CABCVRRESA-N 2 2 316.367 3.416 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218304 1099476000 /nfs/dbraw/zinc/47/60/00/1099476000.db2.gz RXBICRHJOIAJPL-OALUTQOASA-N 3 2 313.489 3.390 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218304 1099476006 /nfs/dbraw/zinc/47/60/06/1099476006.db2.gz RXBICRHJOIAJPL-OALUTQOASA-N 3 2 313.489 3.390 20 0 DGADLP COc1cc(C)cc(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236231709 1099485296 /nfs/dbraw/zinc/48/52/96/1099485296.db2.gz FVHPPBZZWIHOFD-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(C)cc(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236231709 1099485300 /nfs/dbraw/zinc/48/53/00/1099485300.db2.gz FVHPPBZZWIHOFD-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236241966 1099497809 /nfs/dbraw/zinc/49/78/09/1099497809.db2.gz VICKPAHJJPQMIC-IBGZPJMESA-N 2 2 307.441 3.465 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236241966 1099497817 /nfs/dbraw/zinc/49/78/17/1099497817.db2.gz VICKPAHJJPQMIC-IBGZPJMESA-N 2 2 307.441 3.465 20 0 DGADLP c1cn2cccc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)c2[nH+]1 ZINC001236272057 1099513275 /nfs/dbraw/zinc/51/32/75/1099513275.db2.gz WRSRGIDIJGTCEZ-IBGZPJMESA-N 2 2 320.440 3.089 20 0 DGADLP CCC[N@H+](Cc1ccc(C(OCC)OCC)cc1)[C@@H]1CC[NH2+]C1 ZINC001236324323 1099539355 /nfs/dbraw/zinc/53/93/55/1099539355.db2.gz PCXATNXWGAJYFR-GOSISDBHSA-N 2 2 320.477 3.332 20 0 DGADLP CCC[N@@H+](Cc1ccc(C(OCC)OCC)cc1)[C@@H]1CC[NH2+]C1 ZINC001236324323 1099539366 /nfs/dbraw/zinc/53/93/66/1099539366.db2.gz PCXATNXWGAJYFR-GOSISDBHSA-N 2 2 320.477 3.332 20 0 DGADLP COCC[N@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236331271 1099543121 /nfs/dbraw/zinc/54/31/21/1099543121.db2.gz BAMCZKNODCJXML-YLJYHZDGSA-N 2 2 318.505 3.299 20 0 DGADLP COCC[N@@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236331271 1099543130 /nfs/dbraw/zinc/54/31/30/1099543130.db2.gz BAMCZKNODCJXML-YLJYHZDGSA-N 2 2 318.505 3.299 20 0 DGADLP Nc1ccnc(Cl)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375057 1099559511 /nfs/dbraw/zinc/55/95/11/1099559511.db2.gz VBCWQUJVUUEWOY-ZDUSSCGKSA-N 2 2 322.884 3.061 20 0 DGADLP Nc1ccnc(Cl)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375057 1099559519 /nfs/dbraw/zinc/55/95/19/1099559519.db2.gz VBCWQUJVUUEWOY-ZDUSSCGKSA-N 2 2 322.884 3.061 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236407406 1099582901 /nfs/dbraw/zinc/58/29/01/1099582901.db2.gz DZNCISNENBJNON-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236407406 1099582912 /nfs/dbraw/zinc/58/29/12/1099582912.db2.gz DZNCISNENBJNON-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410385 1099583480 /nfs/dbraw/zinc/58/34/80/1099583480.db2.gz BJOLXCDFIXIPFR-PJXYFTJBSA-N 2 2 304.743 3.008 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410385 1099583489 /nfs/dbraw/zinc/58/34/89/1099583489.db2.gz BJOLXCDFIXIPFR-PJXYFTJBSA-N 2 2 304.743 3.008 20 0 DGADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415325 1099589916 /nfs/dbraw/zinc/58/99/16/1099589916.db2.gz SQEZAZYBRXXTCR-IWIIMEHWSA-N 2 2 304.743 3.008 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415325 1099589924 /nfs/dbraw/zinc/58/99/24/1099589924.db2.gz SQEZAZYBRXXTCR-IWIIMEHWSA-N 2 2 304.743 3.008 20 0 DGADLP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236424769 1099599678 /nfs/dbraw/zinc/59/96/78/1099599678.db2.gz WJPZWPASAQKIGU-INIZCTEOSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236424769 1099599688 /nfs/dbraw/zinc/59/96/88/1099599688.db2.gz WJPZWPASAQKIGU-INIZCTEOSA-N 2 2 306.425 3.062 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236530285 1099652676 /nfs/dbraw/zinc/65/26/76/1099652676.db2.gz SSEPNDHBVUQORT-CQSZACIVSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1c(Br)cccc1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236530285 1099652684 /nfs/dbraw/zinc/65/26/84/1099652684.db2.gz SSEPNDHBVUQORT-CQSZACIVSA-N 2 2 311.267 3.330 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001236617798 1099706549 /nfs/dbraw/zinc/70/65/49/1099706549.db2.gz XWGFDYYDRFTBPR-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001236617798 1099706558 /nfs/dbraw/zinc/70/65/58/1099706558.db2.gz XWGFDYYDRFTBPR-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP CCC[N@@H+](Cc1cscc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236834847 1099819226 /nfs/dbraw/zinc/81/92/26/1099819226.db2.gz IVNWVBBLKONDFU-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@H+](Cc1cscc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236834847 1099819240 /nfs/dbraw/zinc/81/92/40/1099819240.db2.gz IVNWVBBLKONDFU-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCCOC1 ZINC001236907311 1099868294 /nfs/dbraw/zinc/86/82/94/1099868294.db2.gz BDDSQDWYEXSASB-AWEZNQCLSA-N 2 2 305.809 3.137 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCCOC1 ZINC001236907311 1099868299 /nfs/dbraw/zinc/86/82/99/1099868299.db2.gz BDDSQDWYEXSASB-AWEZNQCLSA-N 2 2 305.809 3.137 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001236913267 1099873981 /nfs/dbraw/zinc/87/39/81/1099873981.db2.gz JTYUNYSVHNEXMP-QGZVFWFLSA-N 2 2 317.820 3.138 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001236916327 1099877961 /nfs/dbraw/zinc/87/79/61/1099877961.db2.gz KGKJCGZXCAQSFA-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001236916327 1099877964 /nfs/dbraw/zinc/87/79/64/1099877964.db2.gz KGKJCGZXCAQSFA-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203694037 1099904306 /nfs/dbraw/zinc/90/43/06/1099904306.db2.gz WPTRYVWKMBTYOO-GASCZTMLSA-N 2 2 312.379 3.479 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203694037 1099904319 /nfs/dbraw/zinc/90/43/19/1099904319.db2.gz WPTRYVWKMBTYOO-GASCZTMLSA-N 2 2 312.379 3.479 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203694037 1099904327 /nfs/dbraw/zinc/90/43/27/1099904327.db2.gz WPTRYVWKMBTYOO-GASCZTMLSA-N 2 2 312.379 3.479 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203694037 1099904336 /nfs/dbraw/zinc/90/43/36/1099904336.db2.gz WPTRYVWKMBTYOO-GASCZTMLSA-N 2 2 312.379 3.479 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3OC(C)(C)C)C[C@@H]2C1 ZINC001237027306 1099934259 /nfs/dbraw/zinc/93/42/59/1099934259.db2.gz HMORHSADBGLDQS-IRXDYDNUSA-N 2 2 302.462 3.247 20 0 DGADLP CCC(=O)Oc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237153399 1100001071 /nfs/dbraw/zinc/00/10/71/1100001071.db2.gz DMLYVEFBYVDANP-QGZVFWFLSA-N 2 2 316.445 3.109 20 0 DGADLP CCC(=O)Oc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237153399 1100001080 /nfs/dbraw/zinc/00/10/80/1100001080.db2.gz DMLYVEFBYVDANP-QGZVFWFLSA-N 2 2 316.445 3.109 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(Cc3ccccc3N2)CC1 ZINC001237333586 1100083097 /nfs/dbraw/zinc/08/30/97/1100083097.db2.gz MMGFZKKOSSVXDX-LJQANCHMSA-N 2 2 321.468 3.059 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379923 1100099313 /nfs/dbraw/zinc/09/93/13/1100099313.db2.gz DVQVACMTGRAMMP-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379923 1100099319 /nfs/dbraw/zinc/09/93/19/1100099319.db2.gz DVQVACMTGRAMMP-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP c1csc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)n2)c1 ZINC001237413065 1100117684 /nfs/dbraw/zinc/11/76/84/1100117684.db2.gz IWWBAEMSESOXOM-GOEBONIOSA-N 2 2 313.470 3.384 20 0 DGADLP c1csc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)n2)c1 ZINC001237413065 1100117688 /nfs/dbraw/zinc/11/76/88/1100117688.db2.gz IWWBAEMSESOXOM-GOEBONIOSA-N 2 2 313.470 3.384 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418265 1100121491 /nfs/dbraw/zinc/12/14/91/1100121491.db2.gz XOOXKSAVPIIGRR-CJNGLKHVSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418265 1100121498 /nfs/dbraw/zinc/12/14/98/1100121498.db2.gz XOOXKSAVPIIGRR-CJNGLKHVSA-N 2 2 323.278 3.331 20 0 DGADLP CCc1cc(C[N@H+](CCOC)C2CC[NH+](C)CC2)ccc1Cl ZINC001237739602 1100232466 /nfs/dbraw/zinc/23/24/66/1100232466.db2.gz AOVFIURMLKKVHF-UHFFFAOYSA-N 2 2 324.896 3.445 20 0 DGADLP CCc1cc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)ccc1Cl ZINC001237739602 1100232472 /nfs/dbraw/zinc/23/24/72/1100232472.db2.gz AOVFIURMLKKVHF-UHFFFAOYSA-N 2 2 324.896 3.445 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC001237796347 1100248961 /nfs/dbraw/zinc/24/89/61/1100248961.db2.gz XYXSSPBJOIERNK-CQSZACIVSA-N 2 2 315.442 3.377 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC001237796347 1100248968 /nfs/dbraw/zinc/24/89/68/1100248968.db2.gz XYXSSPBJOIERNK-CQSZACIVSA-N 2 2 315.442 3.377 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001237830533 1100261903 /nfs/dbraw/zinc/26/19/03/1100261903.db2.gz PEDLDHONPJCCCE-AWEZNQCLSA-N 2 2 303.431 3.144 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001237830533 1100261910 /nfs/dbraw/zinc/26/19/10/1100261910.db2.gz PEDLDHONPJCCCE-AWEZNQCLSA-N 2 2 303.431 3.144 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)Cc3cncnc3)cc21 ZINC001237879536 1100278122 /nfs/dbraw/zinc/27/81/22/1100278122.db2.gz MZOYKGSGMNNESB-UHFFFAOYSA-N 2 2 308.429 3.110 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)Cc3cncnc3)cc21 ZINC001237879536 1100278124 /nfs/dbraw/zinc/27/81/24/1100278124.db2.gz MZOYKGSGMNNESB-UHFFFAOYSA-N 2 2 308.429 3.110 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652125 1100314631 /nfs/dbraw/zinc/31/46/31/1100314631.db2.gz WDUKSDHJANIPOK-RCCFBDPRSA-N 2 2 324.509 3.018 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652125 1100314640 /nfs/dbraw/zinc/31/46/40/1100314640.db2.gz WDUKSDHJANIPOK-RCCFBDPRSA-N 2 2 324.509 3.018 20 0 DGADLP Cc1ccc(C2(O)CC[NH+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238103158 1100362680 /nfs/dbraw/zinc/36/26/80/1100362680.db2.gz LWENGEBZKPPHCF-UHFFFAOYSA-N 2 2 321.424 3.126 20 0 DGADLP c1[nH+]cn2c1cccc2C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001238111181 1100365244 /nfs/dbraw/zinc/36/52/44/1100365244.db2.gz RSFKXFROTYADJL-UHFFFAOYSA-N 2 2 319.408 3.304 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238117182 1100367830 /nfs/dbraw/zinc/36/78/30/1100367830.db2.gz XJDROTTZYZHALD-MRXNPFEDSA-N 2 2 305.381 3.039 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238117182 1100367837 /nfs/dbraw/zinc/36/78/37/1100367837.db2.gz XJDROTTZYZHALD-MRXNPFEDSA-N 2 2 305.381 3.039 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(-c4cccs4)n3)C[C@H]2C1 ZINC001238212612 1100394884 /nfs/dbraw/zinc/39/48/84/1100394884.db2.gz BOLBNLRKEXPMSA-HUUCEWRRSA-N 2 2 313.470 3.194 20 0 DGADLP CCCC[NH2+]C12CC(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)(C1)C2 ZINC001278217319 1100415752 /nfs/dbraw/zinc/41/57/52/1100415752.db2.gz BHATURQWSDWJSB-UHFFFAOYSA-N 2 2 324.428 3.123 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1F ZINC001238458272 1100449917 /nfs/dbraw/zinc/44/99/17/1100449917.db2.gz MUMBUQYFDZYXAN-GOSISDBHSA-N 2 2 306.425 3.141 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1F ZINC001238458272 1100449918 /nfs/dbraw/zinc/44/99/18/1100449918.db2.gz MUMBUQYFDZYXAN-GOSISDBHSA-N 2 2 306.425 3.141 20 0 DGADLP CC(C)Oc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1F ZINC001238458272 1100449922 /nfs/dbraw/zinc/44/99/22/1100449922.db2.gz MUMBUQYFDZYXAN-GOSISDBHSA-N 2 2 306.425 3.141 20 0 DGADLP CC(C)Oc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001238458272 1100449923 /nfs/dbraw/zinc/44/99/23/1100449923.db2.gz MUMBUQYFDZYXAN-GOSISDBHSA-N 2 2 306.425 3.141 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3SC)C[C@@H]2C1 ZINC001238680245 1100499813 /nfs/dbraw/zinc/49/98/13/1100499813.db2.gz JTWFCLLLJOZVCQ-OKILXGFUSA-N 2 2 310.894 3.445 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3SC)C[C@@H]2C1 ZINC001238680245 1100499814 /nfs/dbraw/zinc/49/98/14/1100499814.db2.gz JTWFCLLLJOZVCQ-OKILXGFUSA-N 2 2 310.894 3.445 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3SC)C[C@@H]2C1 ZINC001238680245 1100499816 /nfs/dbraw/zinc/49/98/16/1100499816.db2.gz JTWFCLLLJOZVCQ-OKILXGFUSA-N 2 2 310.894 3.445 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3SC)C[C@@H]2C1 ZINC001238680245 1100499817 /nfs/dbraw/zinc/49/98/17/1100499817.db2.gz JTWFCLLLJOZVCQ-OKILXGFUSA-N 2 2 310.894 3.445 20 0 DGADLP CC[NH+](CC)CCn1cc(-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001239206268 1100596047 /nfs/dbraw/zinc/59/60/47/1100596047.db2.gz AVTCLOXAGGXXHQ-UHFFFAOYSA-N 2 2 323.444 3.137 20 0 DGADLP c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cnc1C[NH+]1CCOCC1 ZINC001239589928 1100696958 /nfs/dbraw/zinc/69/69/58/1100696958.db2.gz WEBSIIVDWSLYOZ-FQEVSTJZSA-N 2 2 323.440 3.005 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccnc4ccccc43)c2)C1 ZINC001239853201 1100775829 /nfs/dbraw/zinc/77/58/29/1100775829.db2.gz OVPYOUMEEAEABK-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccnc4ccccc43)c2)C1 ZINC001239853201 1100775833 /nfs/dbraw/zinc/77/58/33/1100775833.db2.gz OVPYOUMEEAEABK-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP COc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239999226 1100826217 /nfs/dbraw/zinc/82/62/17/1100826217.db2.gz ZAZVSXTYVPOHHU-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239999226 1100826227 /nfs/dbraw/zinc/82/62/27/1100826227.db2.gz ZAZVSXTYVPOHHU-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COC(=[NH2+])c1cccc(-c2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001240273232 1100920200 /nfs/dbraw/zinc/92/02/00/1100920200.db2.gz UKCNNZITCYJNFB-UHFFFAOYSA-N 2 2 324.424 3.200 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755132 1101007647 /nfs/dbraw/zinc/00/76/47/1101007647.db2.gz NHTHADZOBRMRCQ-NRFANRHFSA-N 2 2 324.468 3.024 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755132 1101007660 /nfs/dbraw/zinc/00/76/60/1101007660.db2.gz NHTHADZOBRMRCQ-NRFANRHFSA-N 2 2 324.468 3.024 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755132 1101007667 /nfs/dbraw/zinc/00/76/67/1101007667.db2.gz NHTHADZOBRMRCQ-NRFANRHFSA-N 2 2 324.468 3.024 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755132 1101007675 /nfs/dbraw/zinc/00/76/75/1101007675.db2.gz NHTHADZOBRMRCQ-NRFANRHFSA-N 2 2 324.468 3.024 20 0 DGADLP c1cn2ccc(-c3ccc([C@]45CC[NH2+][C@H]4COCC5)cc3)cc2[nH+]1 ZINC001240508905 1101028414 /nfs/dbraw/zinc/02/84/14/1101028414.db2.gz OXKUNODTLKWDJM-AZUAARDMSA-N 2 2 319.408 3.021 20 0 DGADLP C[NH2+]Cc1ccc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001194894673 1101032046 /nfs/dbraw/zinc/03/20/46/1101032046.db2.gz GKRWQMKPGJIDDF-UHFFFAOYSA-N 2 2 320.396 3.059 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc(N4CCCC4)c3)ccn12 ZINC001240535955 1101039130 /nfs/dbraw/zinc/03/91/30/1101039130.db2.gz FJTJIXODZCNPNU-UHFFFAOYSA-N 2 2 318.424 3.288 20 0 DGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc(F)c1F ZINC001240663124 1101086604 /nfs/dbraw/zinc/08/66/04/1101086604.db2.gz FDGZFZZAYJIYGE-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc(F)c1F ZINC001240663124 1101086607 /nfs/dbraw/zinc/08/66/07/1101086607.db2.gz FDGZFZZAYJIYGE-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP CCOc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001241069772 1101241889 /nfs/dbraw/zinc/24/18/89/1101241889.db2.gz CVRGKXSEABABMG-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001241069772 1101241891 /nfs/dbraw/zinc/24/18/91/1101241891.db2.gz CVRGKXSEABABMG-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001196936013 1101438066 /nfs/dbraw/zinc/43/80/66/1101438066.db2.gz NXWUIVRGDXVIJF-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001196936013 1101438070 /nfs/dbraw/zinc/43/80/70/1101438070.db2.gz NXWUIVRGDXVIJF-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958720 1101489423 /nfs/dbraw/zinc/48/94/23/1101489423.db2.gz KHGZFTHYYYMZOD-ZDUSSCGKSA-N 2 2 307.344 3.391 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958720 1101489429 /nfs/dbraw/zinc/48/94/29/1101489429.db2.gz KHGZFTHYYYMZOD-ZDUSSCGKSA-N 2 2 307.344 3.391 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4ccncc4c3)cc2)C1 ZINC001241677943 1101627728 /nfs/dbraw/zinc/62/77/28/1101627728.db2.gz XHFTVTZDJNPRRE-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4ccncc4c3)cc2)C1 ZINC001241677943 1101627730 /nfs/dbraw/zinc/62/77/30/1101627730.db2.gz XHFTVTZDJNPRRE-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cnn(-c4ccccc4)c3)c2)C1 ZINC001241757404 1101688244 /nfs/dbraw/zinc/68/82/44/1101688244.db2.gz QCPDNVRCXRNGQC-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cnn(-c4ccccc4)c3)c2)C1 ZINC001241757404 1101688249 /nfs/dbraw/zinc/68/82/49/1101688249.db2.gz QCPDNVRCXRNGQC-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3OC(F)F)c2)C1 ZINC001241952865 1101799901 /nfs/dbraw/zinc/79/99/01/1101799901.db2.gz PKQMXPLIJTVBAU-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3OC(F)F)c2)C1 ZINC001241952865 1101799912 /nfs/dbraw/zinc/79/99/12/1101799912.db2.gz PKQMXPLIJTVBAU-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP CCc1[nH]c(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC001203243541 1101830168 /nfs/dbraw/zinc/83/01/68/1101830168.db2.gz LZARCKIXHNXBFZ-OAHLLOKOSA-N 2 2 303.381 3.073 20 0 DGADLP CCc1[nH]c(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC001203243541 1101830183 /nfs/dbraw/zinc/83/01/83/1101830183.db2.gz LZARCKIXHNXBFZ-OAHLLOKOSA-N 2 2 303.381 3.073 20 0 DGADLP Cc1cc(-c2ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc2)cc(C)[nH+]1 ZINC001241992236 1101842996 /nfs/dbraw/zinc/84/29/96/1101842996.db2.gz JPYFARCDKWLUPO-UXHICEINSA-N 2 2 308.425 3.385 20 0 DGADLP Cc1cc(-c2ccc(NC(=O)NC3CC[NH2+]CC3)cc2)cc(C)[nH+]1 ZINC001241994953 1101845138 /nfs/dbraw/zinc/84/51/38/1101845138.db2.gz MWNLXKLBBGFILR-UHFFFAOYSA-N 2 2 324.428 3.239 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1F ZINC001242031161 1101867760 /nfs/dbraw/zinc/86/77/60/1101867760.db2.gz AMZGUBNCSYAYTD-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1F ZINC001242031161 1101867772 /nfs/dbraw/zinc/86/77/72/1101867772.db2.gz AMZGUBNCSYAYTD-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1ccc2ccc(F)c(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)c2n1 ZINC001242052168 1101883655 /nfs/dbraw/zinc/88/36/55/1101883655.db2.gz QOSSGLVZZMKSEH-UHFFFAOYSA-N 2 2 322.387 3.154 20 0 DGADLP CC[N@H+]1CC=C(c2cnc(-c3c[nH+]c(N)cc3C)c(C)c2)CC1 ZINC001242078533 1101895470 /nfs/dbraw/zinc/89/54/70/1101895470.db2.gz KQPGZOLKEKEDQG-UHFFFAOYSA-N 2 2 308.429 3.452 20 0 DGADLP CC[N@@H+]1CC=C(c2cnc(-c3c[nH+]c(N)cc3C)c(C)c2)CC1 ZINC001242078533 1101895486 /nfs/dbraw/zinc/89/54/86/1101895486.db2.gz KQPGZOLKEKEDQG-UHFFFAOYSA-N 2 2 308.429 3.452 20 0 DGADLP Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1N(C)C ZINC001242240968 1102002064 /nfs/dbraw/zinc/00/20/64/1102002064.db2.gz BBEJCVGMHRFJKL-UHFFFAOYSA-N 2 2 306.413 3.063 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4cccnc4c3)cc2)C1 ZINC001242252774 1102009347 /nfs/dbraw/zinc/00/93/47/1102009347.db2.gz IUDRPWFXFSJIIT-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4cccnc4c3)cc2)C1 ZINC001242252774 1102009360 /nfs/dbraw/zinc/00/93/60/1102009360.db2.gz IUDRPWFXFSJIIT-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1c(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001242288594 1102032532 /nfs/dbraw/zinc/03/25/32/1102032532.db2.gz NBMVSKUOEVUQEG-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001242288594 1102032544 /nfs/dbraw/zinc/03/25/44/1102032544.db2.gz NBMVSKUOEVUQEG-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001242288218 1102032707 /nfs/dbraw/zinc/03/27/07/1102032707.db2.gz CBVMFZFRKJVQQM-MRXNPFEDSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001242288218 1102032719 /nfs/dbraw/zinc/03/27/19/1102032719.db2.gz CBVMFZFRKJVQQM-MRXNPFEDSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242307310 1102042168 /nfs/dbraw/zinc/04/21/68/1102042168.db2.gz JURXGPYWOBFNDI-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242307310 1102042185 /nfs/dbraw/zinc/04/21/85/1102042185.db2.gz JURXGPYWOBFNDI-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4ccncc43)c2)C1 ZINC001242371999 1102085989 /nfs/dbraw/zinc/08/59/89/1102085989.db2.gz CHRIXGPKSGIQBX-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4ccncc43)c2)C1 ZINC001242371999 1102086000 /nfs/dbraw/zinc/08/60/00/1102086000.db2.gz CHRIXGPKSGIQBX-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(-c2ccnc(N3CC[NH2+]CC3)c2)c1 ZINC001242398926 1102106608 /nfs/dbraw/zinc/10/66/08/1102106608.db2.gz YCFDLKOEJSHCNU-UHFFFAOYSA-N 2 2 324.472 3.313 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N(C)C)C[NH+]1CCCC1 ZINC001199403228 1102132383 /nfs/dbraw/zinc/13/23/83/1102132383.db2.gz MTXQDZOMDZBTFG-AWEZNQCLSA-N 2 2 309.885 3.228 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(C3=CC[C@@H]([NH+]4CCCC4)CC3)ccn12 ZINC001242696401 1102289982 /nfs/dbraw/zinc/28/99/82/1102289982.db2.gz VKIITWNKWLHZCZ-GOSISDBHSA-N 3 2 322.456 3.053 20 0 DGADLP CCc1cc(OC)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242699914 1102292209 /nfs/dbraw/zinc/29/22/09/1102292209.db2.gz GICJHVQEITWKBQ-SFHVURJKSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(OC)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242699914 1102292223 /nfs/dbraw/zinc/29/22/23/1102292223.db2.gz GICJHVQEITWKBQ-SFHVURJKSA-N 2 2 310.441 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3ccccc3n2)C1 ZINC001242776226 1102334432 /nfs/dbraw/zinc/33/44/32/1102334432.db2.gz GBOVFEFLZXJQNU-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ccccc3n2)C1 ZINC001242776226 1102334447 /nfs/dbraw/zinc/33/44/47/1102334447.db2.gz GBOVFEFLZXJQNU-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC001200923580 1102439159 /nfs/dbraw/zinc/43/91/59/1102439159.db2.gz TUDJAGJRAWCOJV-UHFFFAOYSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903311 1102452515 /nfs/dbraw/zinc/45/25/15/1102452515.db2.gz OHYLAOCOSBQNFT-UQMVFRFSSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903311 1102452519 /nfs/dbraw/zinc/45/25/19/1102452519.db2.gz OHYLAOCOSBQNFT-UQMVFRFSSA-N 2 2 323.278 3.482 20 0 DGADLP Fc1ccc(C[NH+]2CCOCC2)c(-c2c[nH+]cc3cc[nH]c32)c1 ZINC001243084908 1102514828 /nfs/dbraw/zinc/51/48/28/1102514828.db2.gz MWGKTUXMWDOIGV-UHFFFAOYSA-N 2 2 311.360 3.201 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3CCCOC3)cc2)CC1 ZINC001201741333 1102710572 /nfs/dbraw/zinc/71/05/72/1102710572.db2.gz GESMQHDVLGLNBM-INIZCTEOSA-N 2 2 317.477 3.056 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCC(F)(F)F)C[C@@H]3C2)cc1 ZINC001202319929 1102940957 /nfs/dbraw/zinc/94/09/57/1102940957.db2.gz WSHDIINWLMMUFH-HZPDHXFCSA-N 2 2 312.379 3.311 20 0 DGADLP FC(F)(F)CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202320244 1102941849 /nfs/dbraw/zinc/94/18/49/1102941849.db2.gz YVHNOQWTBLVXFZ-RYUDHWBXSA-N 2 2 304.381 3.064 20 0 DGADLP COc1cc2[nH+]c[nH]c2cc1-c1cccc(OCC[NH+](C)C)c1 ZINC001243747357 1102955770 /nfs/dbraw/zinc/95/57/70/1102955770.db2.gz IZTKRGSMPQOZCC-UHFFFAOYSA-N 2 2 311.385 3.179 20 0 DGADLP C[N@@H+]1CC[C@H](c2ccc(-c3cc[nH+]c(N4CCOCC4)c3)cc2)C1 ZINC001243902091 1103041075 /nfs/dbraw/zinc/04/10/75/1103041075.db2.gz VWOBQWFVFGKYRB-IBGZPJMESA-N 2 2 323.440 3.004 20 0 DGADLP C[N@H+]1CC[C@H](c2ccc(-c3cc[nH+]c(N4CCOCC4)c3)cc2)C1 ZINC001243902091 1103041090 /nfs/dbraw/zinc/04/10/90/1103041090.db2.gz VWOBQWFVFGKYRB-IBGZPJMESA-N 2 2 323.440 3.004 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccnc(OCC4CC4)c3)c2)C1 ZINC001243923619 1103056190 /nfs/dbraw/zinc/05/61/90/1103056190.db2.gz FQLCMTDCXXLEQQ-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccnc(OCC4CC4)c3)c2)C1 ZINC001243923619 1103056206 /nfs/dbraw/zinc/05/62/06/1103056206.db2.gz FQLCMTDCXXLEQQ-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP COCc1ccc(C)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244171817 1103252951 /nfs/dbraw/zinc/25/29/51/1103252951.db2.gz JRRUZECZRVRKSH-SFHVURJKSA-N 2 2 310.441 3.341 20 0 DGADLP COCc1ccc(C)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244171817 1103252958 /nfs/dbraw/zinc/25/29/58/1103252958.db2.gz JRRUZECZRVRKSH-SFHVURJKSA-N 2 2 310.441 3.341 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001326506195 1103346166 /nfs/dbraw/zinc/34/61/66/1103346166.db2.gz PKSCHFMKINYIPM-HUUCEWRRSA-N 2 2 310.401 3.341 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3[nH]c(=O)ccc32)C1 ZINC001244320541 1103357983 /nfs/dbraw/zinc/35/79/83/1103357983.db2.gz SGHGKMDYUYIWDP-OAHLLOKOSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3[nH]c(=O)ccc32)C1 ZINC001244320541 1103358000 /nfs/dbraw/zinc/35/80/00/1103358000.db2.gz SGHGKMDYUYIWDP-OAHLLOKOSA-N 2 2 319.408 3.140 20 0 DGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc(O)c1F ZINC001244524293 1103496945 /nfs/dbraw/zinc/49/69/45/1103496945.db2.gz AARLEUSXFWIWLO-MRXNPFEDSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc(O)c1F ZINC001244524293 1103496950 /nfs/dbraw/zinc/49/69/50/1103496950.db2.gz AARLEUSXFWIWLO-MRXNPFEDSA-N 2 2 300.377 3.040 20 0 DGADLP COc1c(C)ccc(F)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244527780 1103499869 /nfs/dbraw/zinc/49/98/69/1103499869.db2.gz VUMCCASYJRKNAW-UHFFFAOYSA-N 2 2 311.360 3.144 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001244563961 1103525724 /nfs/dbraw/zinc/52/57/24/1103525724.db2.gz CLPJYQURTCABQT-UHFFFAOYSA-N 2 2 312.804 3.232 20 0 DGADLP Clc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC001327512574 1103666850 /nfs/dbraw/zinc/66/68/50/1103666850.db2.gz QMLIETMJBVXIGF-KSSFIOAISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC001327839428 1103739653 /nfs/dbraw/zinc/73/96/53/1103739653.db2.gz HRULIIURGWUURH-MNOVXSKESA-N 2 2 315.255 3.106 20 0 DGADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001245196776 1103900619 /nfs/dbraw/zinc/90/06/19/1103900619.db2.gz GESRGVYRWMVRMH-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP CCCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001245231580 1103922629 /nfs/dbraw/zinc/92/26/29/1103922629.db2.gz QINQCCITXOGBKN-QGZVFWFLSA-N 2 2 311.429 3.070 20 0 DGADLP CCCOc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001245231580 1103922642 /nfs/dbraw/zinc/92/26/42/1103922642.db2.gz QINQCCITXOGBKN-QGZVFWFLSA-N 2 2 311.429 3.070 20 0 DGADLP Cc1cc(-c2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)c[nH+]c1N ZINC001245538114 1104110085 /nfs/dbraw/zinc/11/00/85/1104110085.db2.gz WQVLPKCHAABTMX-INIZCTEOSA-N 2 2 321.428 3.304 20 0 DGADLP COc1ccc2[nH]c(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc2c1 ZINC001245597799 1104144149 /nfs/dbraw/zinc/14/41/49/1104144149.db2.gz GHYZDFYCWBQAKI-KRWDZBQOSA-N 2 2 321.424 3.377 20 0 DGADLP COc1ccc2[nH]c(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc2c1 ZINC001245597799 1104144154 /nfs/dbraw/zinc/14/41/54/1104144154.db2.gz GHYZDFYCWBQAKI-KRWDZBQOSA-N 2 2 321.424 3.377 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCCCF)c(C)[nH+]1 ZINC001329086889 1104147905 /nfs/dbraw/zinc/14/79/05/1104147905.db2.gz QXZVONLQPGYGSV-CABCVRRESA-N 2 2 323.456 3.243 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)cn1 ZINC001329113077 1104159074 /nfs/dbraw/zinc/15/90/74/1104159074.db2.gz ITVOQAITLIVFMV-UXHICEINSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)cn1 ZINC001329113077 1104159075 /nfs/dbraw/zinc/15/90/75/1104159075.db2.gz ITVOQAITLIVFMV-UXHICEINSA-N 2 2 324.472 3.194 20 0 DGADLP Cc1cn2cccc(Nc3cccc(OCC[NH+](C)C)c3)c2[nH+]1 ZINC001212804038 1104170719 /nfs/dbraw/zinc/17/07/19/1104170719.db2.gz IXYBRUHYDWOMOJ-UHFFFAOYSA-N 2 2 310.401 3.327 20 0 DGADLP Cc1nc(Cl)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245779729 1104233110 /nfs/dbraw/zinc/23/31/10/1104233110.db2.gz WZLXSGXVWVQFJI-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1nc(Cl)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245779729 1104233117 /nfs/dbraw/zinc/23/31/17/1104233117.db2.gz WZLXSGXVWVQFJI-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP CCCCC[C@H](O)C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246052440 1104360997 /nfs/dbraw/zinc/36/09/97/1104360997.db2.gz LLZBCZYPFFCYAR-MOPGFXCFSA-N 2 2 304.478 3.182 20 0 DGADLP CCCCC[C@H](O)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246052440 1104361009 /nfs/dbraw/zinc/36/10/09/1104361009.db2.gz LLZBCZYPFFCYAR-MOPGFXCFSA-N 2 2 304.478 3.182 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246074956 1104370321 /nfs/dbraw/zinc/37/03/21/1104370321.db2.gz HKWYICKQMOUNLV-CRAIPNDOSA-N 2 2 302.368 3.112 20 0 DGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246108176 1104389577 /nfs/dbraw/zinc/38/95/77/1104389577.db2.gz HXZVCZLRDSUCSD-UGFHNGPFSA-N 2 2 317.235 3.140 20 0 DGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246108840 1104390808 /nfs/dbraw/zinc/39/08/08/1104390808.db2.gz JNHORPFXVKDYOB-UPJWGTAASA-N 2 2 317.235 3.140 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113982 1104391435 /nfs/dbraw/zinc/39/14/35/1104391435.db2.gz OSDMQIQZNDHQOL-LRDDRELGSA-N 2 2 316.823 3.482 20 0 DGADLP CC(C)(C)C1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246139386 1104402984 /nfs/dbraw/zinc/40/29/84/1104402984.db2.gz CWUWNQFHCLQVKY-OFLPRAFFSA-N 3 2 307.526 3.055 20 0 DGADLP CC(C)(C)C1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246139385 1104403153 /nfs/dbraw/zinc/40/31/53/1104403153.db2.gz CWUWNQFHCLQVKY-JCYILVPMSA-N 3 2 307.526 3.055 20 0 DGADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246194984 1104431591 /nfs/dbraw/zinc/43/15/91/1104431591.db2.gz LKXWDTHXTXGOHA-HNNXBMFYSA-N 2 2 318.461 3.248 20 0 DGADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246194985 1104432025 /nfs/dbraw/zinc/43/20/25/1104432025.db2.gz LKXWDTHXTXGOHA-OAHLLOKOSA-N 2 2 318.461 3.248 20 0 DGADLP FC(F)(F)Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246260818 1104463946 /nfs/dbraw/zinc/46/39/46/1104463946.db2.gz SZVYCHVPJWQOAS-RISCZKNCSA-N 2 2 314.351 3.304 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246269322 1104467361 /nfs/dbraw/zinc/46/73/61/1104467361.db2.gz QNNWTLVWUMININ-IAQYHMDHSA-N 2 2 302.796 3.484 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246282129 1104472162 /nfs/dbraw/zinc/47/21/62/1104472162.db2.gz BRYZYCYMPMYZBO-LJQANCHMSA-N 3 2 305.510 3.048 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246282129 1104472165 /nfs/dbraw/zinc/47/21/65/1104472165.db2.gz BRYZYCYMPMYZBO-LJQANCHMSA-N 3 2 305.510 3.048 20 0 DGADLP CC(C)([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC001246322824 1104487426 /nfs/dbraw/zinc/48/74/26/1104487426.db2.gz HJVDWPIENJCTTD-AWEZNQCLSA-N 2 2 311.267 3.416 20 0 DGADLP CC(C)([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC001246322827 1104487682 /nfs/dbraw/zinc/48/76/82/1104487682.db2.gz HJVDWPIENJCTTD-CQSZACIVSA-N 2 2 311.267 3.416 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)o2)C[C@H](CC)[NH2+]1 ZINC001246324137 1104489805 /nfs/dbraw/zinc/48/98/05/1104489805.db2.gz FOVIXCHHSHGLIF-ZSBIGDGJSA-N 2 2 315.255 3.441 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246332602 1104495831 /nfs/dbraw/zinc/49/58/31/1104495831.db2.gz FYODGDUDNOCBBP-NZSAHSFTSA-N 3 2 317.521 3.250 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246332602 1104495833 /nfs/dbraw/zinc/49/58/33/1104495833.db2.gz FYODGDUDNOCBBP-NZSAHSFTSA-N 3 2 317.521 3.250 20 0 DGADLP CC[C@H]1CC([NH2+]Cc2cccc(OC3CCC3)n2)C[C@H](CC)[NH2+]1 ZINC001246372225 1104512696 /nfs/dbraw/zinc/51/26/96/1104512696.db2.gz YMDHXXATBLJPDI-GJZGRUSLSA-N 2 2 317.477 3.412 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407885 1104529310 /nfs/dbraw/zinc/52/93/10/1104529310.db2.gz VGGNSRZAYQHDLP-OWYHZJEWSA-N 3 2 307.526 3.279 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407885 1104529322 /nfs/dbraw/zinc/52/93/22/1104529322.db2.gz VGGNSRZAYQHDLP-OWYHZJEWSA-N 3 2 307.526 3.279 20 0 DGADLP COc1ccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC(F)(F)CC2)cc1 ZINC001246454701 1104546218 /nfs/dbraw/zinc/54/62/18/1104546218.db2.gz FPMPFZYHRLDYPH-HNNXBMFYSA-N 2 2 324.415 3.441 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C[NH2+]1 ZINC001246494274 1104564334 /nfs/dbraw/zinc/56/43/34/1104564334.db2.gz CTCMAQHZCCCUCE-VZJVUDMVSA-N 2 2 309.251 3.167 20 0 DGADLP CCCC(C[NH3+])(CCC)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246495908 1104565403 /nfs/dbraw/zinc/56/54/03/1104565403.db2.gz LWKOGFCHOFQNOY-SFHVURJKSA-N 2 2 303.494 3.148 20 0 DGADLP CCCC(C[NH3+])(CCC)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246495908 1104565412 /nfs/dbraw/zinc/56/54/12/1104565412.db2.gz LWKOGFCHOFQNOY-SFHVURJKSA-N 2 2 303.494 3.148 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H](C)Cc2ccc(F)cc2)c1 ZINC001246513594 1104571546 /nfs/dbraw/zinc/57/15/46/1104571546.db2.gz YDRRJIOHGZPEEB-ACJLOTCBSA-N 2 2 302.393 3.055 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+]C2CCCCCCC2)cc1 ZINC001246522498 1104575954 /nfs/dbraw/zinc/57/59/54/1104575954.db2.gz CXNYHESECJAFJO-KRWDZBQOSA-N 2 2 304.434 3.176 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC001246527143 1104578003 /nfs/dbraw/zinc/57/80/03/1104578003.db2.gz RUQIJOPFGGLNEF-WMLDXEAASA-N 2 2 306.450 3.277 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246528013 1104579272 /nfs/dbraw/zinc/57/92/72/1104579272.db2.gz NFOUYYJTGFGOJF-QWFCFKBJSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246528013 1104579282 /nfs/dbraw/zinc/57/92/82/1104579282.db2.gz NFOUYYJTGFGOJF-QWFCFKBJSA-N 2 2 315.505 3.284 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(OC)c3F)(C1)CCC2 ZINC001275024130 1104581480 /nfs/dbraw/zinc/58/14/80/1104581480.db2.gz PWNJAMYIRMVILF-DLBZAZTESA-N 2 2 310.388 3.128 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246546659 1104587239 /nfs/dbraw/zinc/58/72/39/1104587239.db2.gz NCKWPCRCMPECAL-PIKOESSRSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246546659 1104587248 /nfs/dbraw/zinc/58/72/48/1104587248.db2.gz NCKWPCRCMPECAL-PIKOESSRSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246546659 1104587257 /nfs/dbraw/zinc/58/72/57/1104587257.db2.gz NCKWPCRCMPECAL-PIKOESSRSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246546659 1104587266 /nfs/dbraw/zinc/58/72/66/1104587266.db2.gz NCKWPCRCMPECAL-PIKOESSRSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246599565 1104616406 /nfs/dbraw/zinc/61/64/06/1104616406.db2.gz DJWLRXLMYLFEFA-CZUORRHYSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246599565 1104616409 /nfs/dbraw/zinc/61/64/09/1104616409.db2.gz DJWLRXLMYLFEFA-CZUORRHYSA-N 2 2 323.278 3.208 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614396 1104628107 /nfs/dbraw/zinc/62/81/07/1104628107.db2.gz SNTOCELEBBBZKX-AEFFLSMTSA-N 2 2 320.864 3.109 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614396 1104628113 /nfs/dbraw/zinc/62/81/13/1104628113.db2.gz SNTOCELEBBBZKX-AEFFLSMTSA-N 2 2 320.864 3.109 20 0 DGADLP Fc1cccc2c1C[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613009 1104628808 /nfs/dbraw/zinc/62/88/08/1104628808.db2.gz KCDCXBWKZCULJE-LPHOPBHVSA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613009 1104628809 /nfs/dbraw/zinc/62/88/09/1104628809.db2.gz KCDCXBWKZCULJE-LPHOPBHVSA-N 2 2 302.437 3.291 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615266 1104629778 /nfs/dbraw/zinc/62/97/78/1104629778.db2.gz RONQPEBMBBFQGG-FUHWJXTLSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615266 1104629782 /nfs/dbraw/zinc/62/97/82/1104629782.db2.gz RONQPEBMBBFQGG-FUHWJXTLSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615264 1104629979 /nfs/dbraw/zinc/62/99/79/1104629979.db2.gz RONQPEBMBBFQGG-AEFFLSMTSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615264 1104629977 /nfs/dbraw/zinc/62/99/77/1104629977.db2.gz RONQPEBMBBFQGG-AEFFLSMTSA-N 2 2 310.482 3.107 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246619300 1104631386 /nfs/dbraw/zinc/63/13/86/1104631386.db2.gz MYLKVTYHAKFMGU-HJNYFJLDSA-N 2 2 318.464 3.424 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246619300 1104631388 /nfs/dbraw/zinc/63/13/88/1104631388.db2.gz MYLKVTYHAKFMGU-HJNYFJLDSA-N 2 2 318.464 3.424 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620902 1104631523 /nfs/dbraw/zinc/63/15/23/1104631523.db2.gz OMXSVSGYXBPFGQ-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620902 1104631527 /nfs/dbraw/zinc/63/15/27/1104631527.db2.gz OMXSVSGYXBPFGQ-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624911 1104632503 /nfs/dbraw/zinc/63/25/03/1104632503.db2.gz DDRRRSHVNZZDLT-KCXAZCMYSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624911 1104632506 /nfs/dbraw/zinc/63/25/06/1104632506.db2.gz DDRRRSHVNZZDLT-KCXAZCMYSA-N 2 2 323.278 3.206 20 0 DGADLP CCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120079 1104634717 /nfs/dbraw/zinc/63/47/17/1104634717.db2.gz DDZCFFMHIATYRM-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP CCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120079 1104634719 /nfs/dbraw/zinc/63/47/19/1104634719.db2.gz DDZCFFMHIATYRM-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP CCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120079 1104634721 /nfs/dbraw/zinc/63/47/21/1104634721.db2.gz DDZCFFMHIATYRM-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP CCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120079 1104634723 /nfs/dbraw/zinc/63/47/23/1104634723.db2.gz DDZCFFMHIATYRM-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP CCCCCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275127093 1104638317 /nfs/dbraw/zinc/63/83/17/1104638317.db2.gz UWHQOTMOSDESCC-RBUKOAKNSA-N 3 2 318.509 3.488 20 0 DGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649191 1104645842 /nfs/dbraw/zinc/64/58/42/1104645842.db2.gz AUEMUBVGAHMVOM-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649191 1104645844 /nfs/dbraw/zinc/64/58/44/1104645844.db2.gz AUEMUBVGAHMVOM-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246671772 1104656036 /nfs/dbraw/zinc/65/60/36/1104656036.db2.gz SZRAEIRCXDGXNS-ZDUSSCGKSA-N 2 2 323.278 3.338 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246671772 1104656031 /nfs/dbraw/zinc/65/60/31/1104656031.db2.gz SZRAEIRCXDGXNS-ZDUSSCGKSA-N 2 2 323.278 3.338 20 0 DGADLP c1ccc2[nH]c(C[NH+]3CC4(C3)CC[NH+](CC3CCC3)CC4)nc2c1 ZINC001275182249 1104669870 /nfs/dbraw/zinc/66/98/70/1104669870.db2.gz MEUYCOKVMQDBIV-UHFFFAOYSA-N 2 2 324.472 3.261 20 0 DGADLP CC[C@H]1CC([N@@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@H](CC)[NH2+]1 ZINC001246811608 1104685426 /nfs/dbraw/zinc/68/54/26/1104685426.db2.gz QHUKOIQQCDWFJO-GJZGRUSLSA-N 2 2 316.445 3.098 20 0 DGADLP CC[C@H]1CC([N@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@H](CC)[NH2+]1 ZINC001246811608 1104685430 /nfs/dbraw/zinc/68/54/30/1104685430.db2.gz QHUKOIQQCDWFJO-GJZGRUSLSA-N 2 2 316.445 3.098 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@H](CC)[NH2+]1 ZINC001246811610 1104685437 /nfs/dbraw/zinc/68/54/37/1104685437.db2.gz QHUKOIQQCDWFJO-MUJYYYPQSA-N 2 2 316.445 3.098 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@H](CC)[NH2+]1 ZINC001246811610 1104685439 /nfs/dbraw/zinc/68/54/39/1104685439.db2.gz QHUKOIQQCDWFJO-MUJYYYPQSA-N 2 2 316.445 3.098 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239974 1104688156 /nfs/dbraw/zinc/68/81/56/1104688156.db2.gz XGQIBQBUTFXOIL-IBGZPJMESA-N 2 2 313.445 3.404 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239974 1104688160 /nfs/dbraw/zinc/68/81/60/1104688160.db2.gz XGQIBQBUTFXOIL-IBGZPJMESA-N 2 2 313.445 3.404 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239974 1104688164 /nfs/dbraw/zinc/68/81/64/1104688164.db2.gz XGQIBQBUTFXOIL-IBGZPJMESA-N 2 2 313.445 3.404 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239974 1104688171 /nfs/dbraw/zinc/68/81/71/1104688171.db2.gz XGQIBQBUTFXOIL-IBGZPJMESA-N 2 2 313.445 3.404 20 0 DGADLP c1[nH]nc2ccc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)cc12 ZINC001275245671 1104691354 /nfs/dbraw/zinc/69/13/54/1104691354.db2.gz OEOBDWMLRZSHHN-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1[nH]nc2ccc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)cc12 ZINC001275245671 1104691359 /nfs/dbraw/zinc/69/13/59/1104691359.db2.gz OEOBDWMLRZSHHN-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824990 1104693440 /nfs/dbraw/zinc/69/34/40/1104693440.db2.gz RMHLDLCUGJUXDB-JKSUJKDBSA-N 2 2 308.466 3.446 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824990 1104693442 /nfs/dbraw/zinc/69/34/42/1104693442.db2.gz RMHLDLCUGJUXDB-JKSUJKDBSA-N 2 2 308.466 3.446 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCN[C@@H](c3ccccc3)C2)CC1(C)C ZINC001246827627 1104694403 /nfs/dbraw/zinc/69/44/03/1104694403.db2.gz NNDMBAMLTYKFOJ-GOSISDBHSA-N 2 2 315.505 3.284 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCN[C@@H](c3ccccc3)C2)CC1(C)C ZINC001246827627 1104694405 /nfs/dbraw/zinc/69/44/05/1104694405.db2.gz NNDMBAMLTYKFOJ-GOSISDBHSA-N 2 2 315.505 3.284 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCN[C@H](c3ccccc3)C2)CC1(C)C ZINC001246827629 1104694914 /nfs/dbraw/zinc/69/49/14/1104694914.db2.gz NNDMBAMLTYKFOJ-SFHVURJKSA-N 2 2 315.505 3.284 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCN[C@H](c3ccccc3)C2)CC1(C)C ZINC001246827629 1104694918 /nfs/dbraw/zinc/69/49/18/1104694918.db2.gz NNDMBAMLTYKFOJ-SFHVURJKSA-N 2 2 315.505 3.284 20 0 DGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246834652 1104695836 /nfs/dbraw/zinc/69/58/36/1104695836.db2.gz FTEUZAWEEZLFER-BRWVUGGUSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246834652 1104695840 /nfs/dbraw/zinc/69/58/40/1104695840.db2.gz FTEUZAWEEZLFER-BRWVUGGUSA-N 2 2 322.493 3.105 20 0 DGADLP Cc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275281103 1104705113 /nfs/dbraw/zinc/70/51/13/1104705113.db2.gz NBIPJVQDEGWHMH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275281103 1104705118 /nfs/dbraw/zinc/70/51/18/1104705118.db2.gz NBIPJVQDEGWHMH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275281103 1104705127 /nfs/dbraw/zinc/70/51/27/1104705127.db2.gz NBIPJVQDEGWHMH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275281103 1104705132 /nfs/dbraw/zinc/70/51/32/1104705132.db2.gz NBIPJVQDEGWHMH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP FC(F)(F)c1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246875096 1104716047 /nfs/dbraw/zinc/71/60/47/1104716047.db2.gz MBQGYHPXQMLKCI-PBWFPOADSA-N 2 2 310.363 3.347 20 0 DGADLP FC(F)(F)c1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246875096 1104716055 /nfs/dbraw/zinc/71/60/55/1104716055.db2.gz MBQGYHPXQMLKCI-PBWFPOADSA-N 2 2 310.363 3.347 20 0 DGADLP CC1(C)C[NH+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC(C)(C)O1 ZINC001246898697 1104727221 /nfs/dbraw/zinc/72/72/21/1104727221.db2.gz ZRVYXCVIIIJJPR-SJORKVTESA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911497 1104733941 /nfs/dbraw/zinc/73/39/41/1104733941.db2.gz BYWFKJQIVYAEBO-QRVBRYPASA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911497 1104733950 /nfs/dbraw/zinc/73/39/50/1104733950.db2.gz BYWFKJQIVYAEBO-QRVBRYPASA-N 2 2 316.489 3.097 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246933604 1104742796 /nfs/dbraw/zinc/74/27/96/1104742796.db2.gz HJJCIZOIFMKLIL-QXGSTGNESA-N 2 2 320.452 3.336 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246933604 1104742803 /nfs/dbraw/zinc/74/28/03/1104742803.db2.gz HJJCIZOIFMKLIL-QXGSTGNESA-N 2 2 320.452 3.336 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939409 1104744347 /nfs/dbraw/zinc/74/43/47/1104744347.db2.gz VDEHVEMRDUGSRL-GUDVDZBRSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246939409 1104744350 /nfs/dbraw/zinc/74/43/50/1104744350.db2.gz VDEHVEMRDUGSRL-GUDVDZBRSA-N 2 2 320.452 3.337 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246943536 1104746855 /nfs/dbraw/zinc/74/68/55/1104746855.db2.gz UQHZECJACOLOJC-OALUTQOASA-N 3 2 303.494 3.143 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246943536 1104746862 /nfs/dbraw/zinc/74/68/62/1104746862.db2.gz UQHZECJACOLOJC-OALUTQOASA-N 3 2 303.494 3.143 20 0 DGADLP CCOc1ccc(NC2CC[NH+]([C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246948782 1104748279 /nfs/dbraw/zinc/74/82/79/1104748279.db2.gz LUMGBOTXDOYZJQ-QAPCUYQASA-N 2 2 317.477 3.102 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246951012 1104749400 /nfs/dbraw/zinc/74/94/00/1104749400.db2.gz AKYGOEJSLQYJMA-JFRXWTBNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246951012 1104749405 /nfs/dbraw/zinc/74/94/05/1104749405.db2.gz AKYGOEJSLQYJMA-JFRXWTBNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246951015 1104749591 /nfs/dbraw/zinc/74/95/91/1104749591.db2.gz AKYGOEJSLQYJMA-NEPXVJNWSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246951015 1104749593 /nfs/dbraw/zinc/74/95/93/1104749593.db2.gz AKYGOEJSLQYJMA-NEPXVJNWSA-N 2 2 301.478 3.460 20 0 DGADLP Clc1ccccc1C[N@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246953135 1104751099 /nfs/dbraw/zinc/75/10/99/1104751099.db2.gz LUNCNKFTGQEXIM-HNNXBMFYSA-N 2 2 310.894 3.400 20 0 DGADLP Clc1ccccc1C[N@@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246953135 1104751102 /nfs/dbraw/zinc/75/11/02/1104751102.db2.gz LUNCNKFTGQEXIM-HNNXBMFYSA-N 2 2 310.894 3.400 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)C2 ZINC001246963734 1104753618 /nfs/dbraw/zinc/75/36/18/1104753618.db2.gz MWOFGFWRGIPTRZ-PMACEKPBSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)C2 ZINC001246963734 1104753623 /nfs/dbraw/zinc/75/36/23/1104753623.db2.gz MWOFGFWRGIPTRZ-PMACEKPBSA-N 2 2 321.468 3.111 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977373 1104759541 /nfs/dbraw/zinc/75/95/41/1104759541.db2.gz HDBSICMLJUFYHP-NXHRZFHOSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977373 1104759546 /nfs/dbraw/zinc/75/95/46/1104759546.db2.gz HDBSICMLJUFYHP-NXHRZFHOSA-N 2 2 322.493 3.105 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CC1 ZINC001246994361 1104767730 /nfs/dbraw/zinc/76/77/30/1104767730.db2.gz PGWRYPQPIKCKOV-DZFIZOCASA-N 3 2 309.542 3.492 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CC1 ZINC001246994361 1104767734 /nfs/dbraw/zinc/76/77/34/1104767734.db2.gz PGWRYPQPIKCKOV-DZFIZOCASA-N 3 2 309.542 3.492 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001275470675 1104768739 /nfs/dbraw/zinc/76/87/39/1104768739.db2.gz IUMPPYNRYDHBTL-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001275470675 1104768743 /nfs/dbraw/zinc/76/87/43/1104768743.db2.gz IUMPPYNRYDHBTL-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3cccnc3cc1F)C2 ZINC001275470675 1104768748 /nfs/dbraw/zinc/76/87/48/1104768748.db2.gz IUMPPYNRYDHBTL-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3cccnc3cc1F)C2 ZINC001275470675 1104768752 /nfs/dbraw/zinc/76/87/52/1104768752.db2.gz IUMPPYNRYDHBTL-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP CCCC1CCC([N@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC1 ZINC001246995232 1104768905 /nfs/dbraw/zinc/76/89/05/1104768905.db2.gz SHDVGOCPYANGRQ-UHFFFAOYSA-N 3 2 321.553 3.494 20 0 DGADLP CCCC1CCC([N@@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC1 ZINC001246995232 1104768909 /nfs/dbraw/zinc/76/89/09/1104768909.db2.gz SHDVGOCPYANGRQ-UHFFFAOYSA-N 3 2 321.553 3.494 20 0 DGADLP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001247009546 1104775839 /nfs/dbraw/zinc/77/58/39/1104775839.db2.gz RPLUDZGSWFCHRZ-QZTJIDSGSA-N 2 2 316.445 3.142 20 0 DGADLP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001247009546 1104775842 /nfs/dbraw/zinc/77/58/42/1104775842.db2.gz RPLUDZGSWFCHRZ-QZTJIDSGSA-N 2 2 316.445 3.142 20 0 DGADLP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887667 1104944242 /nfs/dbraw/zinc/94/42/42/1104944242.db2.gz QMXFCGIPPTVUAG-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887667 1104944248 /nfs/dbraw/zinc/94/42/48/1104944248.db2.gz QMXFCGIPPTVUAG-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP C[C@H](c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C1CC[NH2+]CC1 ZINC001247791749 1104984279 /nfs/dbraw/zinc/98/42/79/1104984279.db2.gz GRHISFSJZUTLFA-ZDUSSCGKSA-N 2 2 323.400 3.025 20 0 DGADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032876 1104991921 /nfs/dbraw/zinc/99/19/21/1104991921.db2.gz PZVXHEPLIFAYFR-LMMKCTJWSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032876 1104991924 /nfs/dbraw/zinc/99/19/24/1104991924.db2.gz PZVXHEPLIFAYFR-LMMKCTJWSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032876 1104991926 /nfs/dbraw/zinc/99/19/26/1104991926.db2.gz PZVXHEPLIFAYFR-LMMKCTJWSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032876 1104991929 /nfs/dbraw/zinc/99/19/29/1104991929.db2.gz PZVXHEPLIFAYFR-LMMKCTJWSA-N 2 2 301.478 3.349 20 0 DGADLP c1cc2c(cccc2-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)o1 ZINC001247869139 1105003828 /nfs/dbraw/zinc/00/38/28/1105003828.db2.gz SZCLQCVGLJVGMB-CQSZACIVSA-N 2 2 324.384 3.030 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c4ccoc4ccc3F)C[C@@H]2C1 ZINC001248545778 1105125593 /nfs/dbraw/zinc/12/55/93/1105125593.db2.gz ORKUEUUBZFKVNP-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c4ccoc4ccc3F)C[C@@H]2C1 ZINC001248545778 1105125595 /nfs/dbraw/zinc/12/55/95/1105125595.db2.gz ORKUEUUBZFKVNP-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c4ccoc4ccc3F)C[C@@H]2C1 ZINC001248545778 1105125596 /nfs/dbraw/zinc/12/55/96/1105125596.db2.gz ORKUEUUBZFKVNP-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c4ccoc4ccc3F)C[C@@H]2C1 ZINC001248545778 1105125597 /nfs/dbraw/zinc/12/55/97/1105125597.db2.gz ORKUEUUBZFKVNP-OKILXGFUSA-N 2 2 302.393 3.346 20 0 DGADLP c1cn(-c2ccccc2-c2noc([C@@H]3CCCCC[NH2+]3)n2)c[nH+]1 ZINC001249189337 1105242974 /nfs/dbraw/zinc/24/29/74/1105242974.db2.gz KGXHGLSYOPHDAD-AWEZNQCLSA-N 2 2 309.373 3.127 20 0 DGADLP CC[C@H](C)[C@@H]([NH2+]C)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249358879 1105273494 /nfs/dbraw/zinc/27/34/94/1105273494.db2.gz LEQMCHKHGVUGPS-SWLSCSKDSA-N 2 2 311.389 3.229 20 0 DGADLP CCN1CCc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc21 ZINC001249657247 1105345484 /nfs/dbraw/zinc/34/54/84/1105345484.db2.gz DONRCQYNEAWVHO-UHFFFAOYSA-N 2 2 313.489 3.129 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(C)n2)CC1 ZINC001249913385 1105407011 /nfs/dbraw/zinc/40/70/11/1105407011.db2.gz XJIHXDBWNDDUDO-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(C)n2)CC1 ZINC001249913385 1105407015 /nfs/dbraw/zinc/40/70/15/1105407015.db2.gz XJIHXDBWNDDUDO-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP c1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137348685 1105494140 /nfs/dbraw/zinc/49/41/40/1105494140.db2.gz JSZRRHZRTDHWNS-MRXNPFEDSA-N 2 2 312.461 3.403 20 0 DGADLP c1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137348685 1105494144 /nfs/dbraw/zinc/49/41/44/1105494144.db2.gz JSZRRHZRTDHWNS-MRXNPFEDSA-N 2 2 312.461 3.403 20 0 DGADLP C[NH+]1CCN(c2cccc3[nH+]c(CCc4ccccc4)[nH]c32)CC1 ZINC001250426397 1105513789 /nfs/dbraw/zinc/51/37/89/1105513789.db2.gz BYNRRNHSLUMQKO-UHFFFAOYSA-N 2 2 320.440 3.100 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccnc(C)c4)C[C@@H]3C2)cc1 ZINC001137409894 1105517379 /nfs/dbraw/zinc/51/73/79/1105517379.db2.gz LNRBMAMKFDTLRJ-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccnc(C)c4)C[C@@H]3C2)cc1 ZINC001137409894 1105517386 /nfs/dbraw/zinc/51/73/86/1105517386.db2.gz LNRBMAMKFDTLRJ-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccnc(C)c4)C[C@@H]3C2)cc1 ZINC001137409894 1105517391 /nfs/dbraw/zinc/51/73/91/1105517391.db2.gz LNRBMAMKFDTLRJ-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccnc(C)c4)C[C@@H]3C2)cc1 ZINC001137409894 1105517393 /nfs/dbraw/zinc/51/73/93/1105517393.db2.gz LNRBMAMKFDTLRJ-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1OC ZINC001255941850 1105689366 /nfs/dbraw/zinc/68/93/66/1105689366.db2.gz YBWBIPHMEIUQFM-GFCCVEGCSA-N 2 2 300.393 3.183 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001253175013 1105899128 /nfs/dbraw/zinc/89/91/28/1105899128.db2.gz AWTNADBLLPYIEF-SFHVURJKSA-N 2 2 322.880 3.132 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001253175013 1105899137 /nfs/dbraw/zinc/89/91/37/1105899137.db2.gz AWTNADBLLPYIEF-SFHVURJKSA-N 2 2 322.880 3.132 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCC1 ZINC001253407828 1105936523 /nfs/dbraw/zinc/93/65/23/1105936523.db2.gz QJBXHHPBMWGPDL-WMLDXEAASA-N 2 2 308.441 3.006 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC001253746922 1105979589 /nfs/dbraw/zinc/97/95/89/1105979589.db2.gz DFCBWQHIKJWOJW-GOSISDBHSA-N 2 2 322.468 3.095 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506630 1106084561 /nfs/dbraw/zinc/08/45/61/1106084561.db2.gz VUAGIYNFGGPTNG-WFASDCNBSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506630 1106084567 /nfs/dbraw/zinc/08/45/67/1106084567.db2.gz VUAGIYNFGGPTNG-WFASDCNBSA-N 2 2 317.260 3.101 20 0 DGADLP FC(F)(F)c1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254831001 1106145610 /nfs/dbraw/zinc/14/56/10/1106145610.db2.gz IYPUCDWRZJBECN-MRXNPFEDSA-N 2 2 312.379 3.322 20 0 DGADLP COc1cccc(CC(C)(C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254847806 1106147835 /nfs/dbraw/zinc/14/78/35/1106147835.db2.gz JANGBLJZZUXJMY-QGZVFWFLSA-N 2 2 302.462 3.090 20 0 DGADLP Fc1ccccc1CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254848673 1106148946 /nfs/dbraw/zinc/14/89/46/1106148946.db2.gz UFVPGHLSQDPBRR-QGZVFWFLSA-N 2 2 302.437 3.365 20 0 DGADLP FC(F)(F)c1ccccc1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254849125 1106148980 /nfs/dbraw/zinc/14/89/80/1106148980.db2.gz REAFVWACDDWUBV-HNNXBMFYSA-N 2 2 312.379 3.322 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862652 1106150717 /nfs/dbraw/zinc/15/07/17/1106150717.db2.gz OQQJFQQLTCIOGB-OALUTQOASA-N 2 2 314.473 3.323 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862652 1106150721 /nfs/dbraw/zinc/15/07/21/1106150721.db2.gz OQQJFQQLTCIOGB-OALUTQOASA-N 2 2 314.473 3.323 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC001255125287 1106185128 /nfs/dbraw/zinc/18/51/28/1106185128.db2.gz VPENHFVPAQKRKE-FNLKRUPLSA-N 2 2 324.472 3.014 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC001255125287 1106185132 /nfs/dbraw/zinc/18/51/32/1106185132.db2.gz VPENHFVPAQKRKE-FNLKRUPLSA-N 2 2 324.472 3.014 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC001255274880 1106214004 /nfs/dbraw/zinc/21/40/04/1106214004.db2.gz RACSDRPANIVOLW-KRWDZBQOSA-N 2 2 308.466 3.194 20 0 DGADLP CCCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001255325995 1106222574 /nfs/dbraw/zinc/22/25/74/1106222574.db2.gz NPUHNCGLQQUKTJ-HNNXBMFYSA-N 2 2 306.498 3.462 20 0 DGADLP CCCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001255325995 1106222577 /nfs/dbraw/zinc/22/25/77/1106222577.db2.gz NPUHNCGLQQUKTJ-HNNXBMFYSA-N 2 2 306.498 3.462 20 0 DGADLP Fc1cnccc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255387981 1106239821 /nfs/dbraw/zinc/23/98/21/1106239821.db2.gz WUPYOMJPRJPPRW-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cnccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387981 1106239824 /nfs/dbraw/zinc/23/98/24/1106239824.db2.gz WUPYOMJPRJPPRW-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP C[C@H]1CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397823 1106243110 /nfs/dbraw/zinc/24/31/10/1106243110.db2.gz HOUCLBGYXITDJU-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397823 1106243115 /nfs/dbraw/zinc/24/31/15/1106243115.db2.gz HOUCLBGYXITDJU-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397823 1106243117 /nfs/dbraw/zinc/24/31/17/1106243117.db2.gz HOUCLBGYXITDJU-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397823 1106243120 /nfs/dbraw/zinc/24/31/20/1106243120.db2.gz HOUCLBGYXITDJU-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP Cc1ccc(N2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001255674105 1106291977 /nfs/dbraw/zinc/29/19/77/1106291977.db2.gz KRJXDPNYUPHXEI-YOFSQIOKSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1ccc(N2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001255674105 1106291980 /nfs/dbraw/zinc/29/19/80/1106291980.db2.gz KRJXDPNYUPHXEI-YOFSQIOKSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(F)cc2)c1CSCC[NH3+] ZINC001255860375 1106330720 /nfs/dbraw/zinc/33/07/20/1106330720.db2.gz GKNYPEJFHWPMOT-LBPRGKRZSA-N 2 2 307.438 3.326 20 0 DGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1C ZINC001256072392 1106363948 /nfs/dbraw/zinc/36/39/48/1106363948.db2.gz DBQPYOADJFWBBY-UHFFFAOYSA-N 2 2 313.489 3.052 20 0 DGADLP C1=CC[C@@H](C[NH+]2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC001256074194 1106365052 /nfs/dbraw/zinc/36/50/52/1106365052.db2.gz OGYXTYYNQYTZCW-QGZVFWFLSA-N 3 2 317.521 3.024 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076211 1106365532 /nfs/dbraw/zinc/36/55/32/1106365532.db2.gz DNNJLRNDBFWVNA-LJQANCHMSA-N 2 2 300.446 3.459 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076211 1106365536 /nfs/dbraw/zinc/36/55/36/1106365536.db2.gz DNNJLRNDBFWVNA-LJQANCHMSA-N 2 2 300.446 3.459 20 0 DGADLP C[NH+]1CCC([N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001256210475 1106390583 /nfs/dbraw/zinc/39/05/83/1106390583.db2.gz IYMHXACXXOFPFQ-UAGQMJEPSA-N 2 2 322.493 3.055 20 0 DGADLP C[NH+]1CCC([N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001256210475 1106390587 /nfs/dbraw/zinc/39/05/87/1106390587.db2.gz IYMHXACXXOFPFQ-UAGQMJEPSA-N 2 2 322.493 3.055 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529654 1106434762 /nfs/dbraw/zinc/43/47/62/1106434762.db2.gz DVWLBPYSZAKDEB-BPQIPLTHSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256529654 1106434763 /nfs/dbraw/zinc/43/47/63/1106434763.db2.gz DVWLBPYSZAKDEB-BPQIPLTHSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256529701 1106435647 /nfs/dbraw/zinc/43/56/47/1106435647.db2.gz WGWZKYDQWXLZTD-BPQIPLTHSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256529701 1106435648 /nfs/dbraw/zinc/43/56/48/1106435648.db2.gz WGWZKYDQWXLZTD-BPQIPLTHSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535869 1106436735 /nfs/dbraw/zinc/43/67/35/1106436735.db2.gz BDKPCHZNFAAGAU-RNQOJCNYSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256535869 1106436738 /nfs/dbraw/zinc/43/67/38/1106436738.db2.gz BDKPCHZNFAAGAU-RNQOJCNYSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535869 1106436741 /nfs/dbraw/zinc/43/67/41/1106436741.db2.gz BDKPCHZNFAAGAU-RNQOJCNYSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535869 1106436744 /nfs/dbraw/zinc/43/67/44/1106436744.db2.gz BDKPCHZNFAAGAU-RNQOJCNYSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536608 1106437108 /nfs/dbraw/zinc/43/71/08/1106437108.db2.gz KTYPUTRRBHUYCN-YZGWKJHDSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536608 1106437110 /nfs/dbraw/zinc/43/71/10/1106437110.db2.gz KTYPUTRRBHUYCN-YZGWKJHDSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC001256538112 1106437995 /nfs/dbraw/zinc/43/79/95/1106437995.db2.gz QXZQPTLNYZESNZ-DODZYUBVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC001256538112 1106437998 /nfs/dbraw/zinc/43/79/98/1106437998.db2.gz QXZQPTLNYZESNZ-DODZYUBVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256538576 1106438140 /nfs/dbraw/zinc/43/81/40/1106438140.db2.gz UFWATZRVFMAROT-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256538576 1106438143 /nfs/dbraw/zinc/43/81/43/1106438143.db2.gz UFWATZRVFMAROT-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538576 1106438144 /nfs/dbraw/zinc/43/81/44/1106438144.db2.gz UFWATZRVFMAROT-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538576 1106438147 /nfs/dbraw/zinc/43/81/47/1106438147.db2.gz UFWATZRVFMAROT-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP CC(=O)C1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552444 1106441359 /nfs/dbraw/zinc/44/13/59/1106441359.db2.gz CICPMHWRVFUPKE-OXJNMPFZSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)C1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552444 1106441361 /nfs/dbraw/zinc/44/13/61/1106441361.db2.gz CICPMHWRVFUPKE-OXJNMPFZSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256554799 1106442688 /nfs/dbraw/zinc/44/26/88/1106442688.db2.gz QXZQPTLNYZESNZ-LSTDLKDCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256554799 1106442690 /nfs/dbraw/zinc/44/26/90/1106442690.db2.gz QXZQPTLNYZESNZ-LSTDLKDCSA-N 2 2 302.462 3.149 20 0 DGADLP CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256559611 1106444648 /nfs/dbraw/zinc/44/46/48/1106444648.db2.gz MGJTXOOMBNQJLP-YZGWKJHDSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256559611 1106444650 /nfs/dbraw/zinc/44/46/50/1106444650.db2.gz MGJTXOOMBNQJLP-YZGWKJHDSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256559611 1106444652 /nfs/dbraw/zinc/44/46/52/1106444652.db2.gz MGJTXOOMBNQJLP-YZGWKJHDSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256559611 1106444654 /nfs/dbraw/zinc/44/46/54/1106444654.db2.gz MGJTXOOMBNQJLP-YZGWKJHDSA-N 2 2 316.489 3.396 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccccc1Br ZINC001256824574 1106492071 /nfs/dbraw/zinc/49/20/71/1106492071.db2.gz LKBASLAEQCRWMK-ZDUSSCGKSA-N 2 2 313.283 3.312 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256783116 1106481696 /nfs/dbraw/zinc/48/16/96/1106481696.db2.gz XUPLNSDBWLOECG-OALUTQOASA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256818662 1106489866 /nfs/dbraw/zinc/48/98/66/1106489866.db2.gz XTDOKDHBYCZDDO-RTBURBONSA-N 2 2 302.462 3.323 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256818662 1106489867 /nfs/dbraw/zinc/48/98/67/1106489867.db2.gz XTDOKDHBYCZDDO-RTBURBONSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH2+]CCCn1cc[nH+]c1 ZINC001256825819 1106491554 /nfs/dbraw/zinc/49/15/54/1106491554.db2.gz WXHMLYUKCFINQD-CYBMUJFWSA-N 2 2 322.250 3.257 20 0 DGADLP c1cn([C@@H]2CCO[C@H](c3ccccc3)C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001256824410 1106491585 /nfs/dbraw/zinc/49/15/85/1106491585.db2.gz OLQBBALAKBBSNC-KSZLIROESA-N 2 2 311.429 3.443 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccccc1Br ZINC001256824573 1106491800 /nfs/dbraw/zinc/49/18/00/1106491800.db2.gz LKBASLAEQCRWMK-CYBMUJFWSA-N 2 2 313.283 3.312 20 0 DGADLP CCC1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001256873533 1106501644 /nfs/dbraw/zinc/50/16/44/1106501644.db2.gz VRWLLBMVYDNFRR-NRGCRIOASA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CC([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC(C)(C)N1O ZINC001256900381 1106506076 /nfs/dbraw/zinc/50/60/76/1106506076.db2.gz NBKGXRJYAJZGCQ-HNNXBMFYSA-N 2 2 323.525 3.394 20 0 DGADLP CC1(C)CC([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC(C)(C)N1O ZINC001256900381 1106506079 /nfs/dbraw/zinc/50/60/79/1106506079.db2.gz NBKGXRJYAJZGCQ-HNNXBMFYSA-N 2 2 323.525 3.394 20 0 DGADLP Cc1ccnc(C2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001256907838 1106509137 /nfs/dbraw/zinc/50/91/37/1106509137.db2.gz FXLURWQSMAIJOB-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1ccnc(C2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001256907838 1106509142 /nfs/dbraw/zinc/50/91/42/1106509142.db2.gz FXLURWQSMAIJOB-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001257078548 1106534637 /nfs/dbraw/zinc/53/46/37/1106534637.db2.gz NBBBAJYKQMESRK-HNJRGHQBSA-N 2 2 316.489 3.239 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257146493 1106544590 /nfs/dbraw/zinc/54/45/90/1106544590.db2.gz NZSUBVZIYXAUKJ-INIZCTEOSA-N 2 2 320.477 3.116 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257146493 1106544595 /nfs/dbraw/zinc/54/45/95/1106544595.db2.gz NZSUBVZIYXAUKJ-INIZCTEOSA-N 2 2 320.477 3.116 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cncc(C(F)(F)F)c2)CC1 ZINC001257209967 1106551525 /nfs/dbraw/zinc/55/15/25/1106551525.db2.gz DPSOKMMDJPVPSY-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC001257213915 1106552523 /nfs/dbraw/zinc/55/25/23/1106552523.db2.gz XEWMKXBRUDGZME-UHFFFAOYSA-N 2 2 321.896 3.335 20 0 DGADLP Cc1cccc(C)c1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257223987 1106554716 /nfs/dbraw/zinc/55/47/16/1106554716.db2.gz LIFXHCAZNFITMB-UHFFFAOYSA-N 2 2 315.505 3.298 20 0 DGADLP CCCC(CCC)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257338475 1106569680 /nfs/dbraw/zinc/56/96/80/1106569680.db2.gz XNGULJDIFJMLFR-HDICACEKSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257338475 1106569683 /nfs/dbraw/zinc/56/96/83/1106569683.db2.gz XNGULJDIFJMLFR-HDICACEKSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257338475 1106569685 /nfs/dbraw/zinc/56/96/85/1106569685.db2.gz XNGULJDIFJMLFR-HDICACEKSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257338475 1106569688 /nfs/dbraw/zinc/56/96/88/1106569688.db2.gz XNGULJDIFJMLFR-HDICACEKSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257338192 1106569896 /nfs/dbraw/zinc/56/98/96/1106569896.db2.gz UQKZTQYIRSNZQF-UHFFFAOYSA-N 2 2 302.422 3.246 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001257400226 1106582075 /nfs/dbraw/zinc/58/20/75/1106582075.db2.gz LUDWENUOZZNBMA-OAHLLOKOSA-N 2 2 307.438 3.032 20 0 DGADLP CCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257422020 1106585998 /nfs/dbraw/zinc/58/59/98/1106585998.db2.gz YJAIPOPBBUCQEV-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257422020 1106586001 /nfs/dbraw/zinc/58/60/01/1106586001.db2.gz YJAIPOPBBUCQEV-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257422020 1106586002 /nfs/dbraw/zinc/58/60/02/1106586002.db2.gz YJAIPOPBBUCQEV-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257422020 1106586005 /nfs/dbraw/zinc/58/60/05/1106586005.db2.gz YJAIPOPBBUCQEV-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC001257453794 1106592345 /nfs/dbraw/zinc/59/23/45/1106592345.db2.gz IOBLOMBDCIZKCI-RTBURBONSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC001257453794 1106592348 /nfs/dbraw/zinc/59/23/48/1106592348.db2.gz IOBLOMBDCIZKCI-RTBURBONSA-N 2 2 302.462 3.198 20 0 DGADLP Clc1ccc2c(c1)C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CO2 ZINC001257968447 1106653140 /nfs/dbraw/zinc/65/31/40/1106653140.db2.gz MADCGALLBGNHSQ-IUODEOHRSA-N 2 2 317.820 3.180 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC001258002965 1106655712 /nfs/dbraw/zinc/65/57/12/1106655712.db2.gz QJSKWQQCMMYNRS-QGZVFWFLSA-N 2 2 306.425 3.359 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOc3cc(F)ccc32)CC1 ZINC001258004227 1106655918 /nfs/dbraw/zinc/65/59/18/1106655918.db2.gz FLSXHKZWOKLBID-KRWDZBQOSA-N 2 2 306.425 3.359 20 0 DGADLP CC(C)=CCC[C@@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001258093264 1106671493 /nfs/dbraw/zinc/67/14/93/1106671493.db2.gz PUMAMCUGAXEUBR-QGZVFWFLSA-N 2 2 316.493 3.429 20 0 DGADLP CC(C)=CCC[C@@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001258093264 1106671494 /nfs/dbraw/zinc/67/14/94/1106671494.db2.gz PUMAMCUGAXEUBR-QGZVFWFLSA-N 2 2 316.493 3.429 20 0 DGADLP CSCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001258209452 1106697505 /nfs/dbraw/zinc/69/75/05/1106697505.db2.gz VXJLURUFIIDRBU-AEFFLSMTSA-N 2 2 306.519 3.425 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CCOc2cc[nH+]cc2)cc1 ZINC001258396175 1106729977 /nfs/dbraw/zinc/72/99/77/1106729977.db2.gz NGRRVRKZUWJHSY-OAHLLOKOSA-N 2 2 300.402 3.080 20 0 DGADLP C[C@H](CC1CC1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464199 1106761714 /nfs/dbraw/zinc/76/17/14/1106761714.db2.gz HGXMUQKQFWUWFY-BMFZPTHFSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464199 1106761727 /nfs/dbraw/zinc/76/17/27/1106761727.db2.gz HGXMUQKQFWUWFY-BMFZPTHFSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258464199 1106761738 /nfs/dbraw/zinc/76/17/38/1106761738.db2.gz HGXMUQKQFWUWFY-BMFZPTHFSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258464199 1106761751 /nfs/dbraw/zinc/76/17/51/1106761751.db2.gz HGXMUQKQFWUWFY-BMFZPTHFSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001258613692 1106852386 /nfs/dbraw/zinc/85/23/86/1106852386.db2.gz WVMMVZFKHCTCRM-FXAWDEMLSA-N 2 2 309.457 3.439 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001258709992 1106921913 /nfs/dbraw/zinc/92/19/13/1106921913.db2.gz QETDQHZFHNBBLQ-MOPGFXCFSA-N 2 2 304.478 3.050 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001258709992 1106921926 /nfs/dbraw/zinc/92/19/26/1106921926.db2.gz QETDQHZFHNBBLQ-MOPGFXCFSA-N 2 2 304.478 3.050 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ncccc2OC)C2CC2)CC1 ZINC001258771019 1106965645 /nfs/dbraw/zinc/96/56/45/1106965645.db2.gz XEEFTPUQJQQHTF-QGZVFWFLSA-N 2 2 303.450 3.005 20 0 DGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC001258771766 1106966140 /nfs/dbraw/zinc/96/61/40/1106966140.db2.gz TZRSLUAHMQJXQW-GOSISDBHSA-N 3 2 319.537 3.271 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001258771206 1106966459 /nfs/dbraw/zinc/96/64/59/1106966459.db2.gz YCHGIXOHDFZEIO-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP CC[C@@H](C)C[C@@H](CC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258794358 1106980483 /nfs/dbraw/zinc/98/04/83/1106980483.db2.gz KZMPKRRNYZEIOX-RHSMWYFYSA-N 2 2 304.482 3.430 20 0 DGADLP CC[C@H](C)C[C@H](CC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001258799725 1106984977 /nfs/dbraw/zinc/98/49/77/1106984977.db2.gz HVVVQTHSNJPPCG-HOTGVXAUSA-N 2 2 305.466 3.427 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001317455090 1107401185 /nfs/dbraw/zinc/40/11/85/1107401185.db2.gz IFWRKKFFJSYYLV-AWEZNQCLSA-N 2 2 319.493 3.351 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001317455090 1107401192 /nfs/dbraw/zinc/40/11/92/1107401192.db2.gz IFWRKKFFJSYYLV-AWEZNQCLSA-N 2 2 319.493 3.351 20 0 DGADLP CC1(C)C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919899 1107463880 /nfs/dbraw/zinc/46/38/80/1107463880.db2.gz CGXNPKAPBNNUIA-SFHVURJKSA-N 2 2 316.489 3.398 20 0 DGADLP CC1(C)C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919899 1107463884 /nfs/dbraw/zinc/46/38/84/1107463884.db2.gz CGXNPKAPBNNUIA-SFHVURJKSA-N 2 2 316.489 3.398 20 0 DGADLP CC1(C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919899 1107463887 /nfs/dbraw/zinc/46/38/87/1107463887.db2.gz CGXNPKAPBNNUIA-SFHVURJKSA-N 2 2 316.489 3.398 20 0 DGADLP CC1(C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919899 1107463893 /nfs/dbraw/zinc/46/38/93/1107463893.db2.gz CGXNPKAPBNNUIA-SFHVURJKSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1cc(NC2CC[NH+](CC3CC3)CC2)nc(C2CCC2)[nH+]1 ZINC001262356944 1107686808 /nfs/dbraw/zinc/68/68/08/1107686808.db2.gz TXYKMYWIESEPOL-UHFFFAOYSA-N 2 2 300.450 3.339 20 0 DGADLP Cc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)nc(C2CCC2)[nH+]1 ZINC001262363432 1107694139 /nfs/dbraw/zinc/69/41/39/1107694139.db2.gz SCRSVXPRYQGXAS-AWEZNQCLSA-N 2 2 302.466 3.219 20 0 DGADLP CCc1cccc(OCC[NH+]2CCC([NH+](CC)CC)CC2)c1 ZINC001317924130 1107746099 /nfs/dbraw/zinc/74/60/99/1107746099.db2.gz MEJOBPGZUCGWKH-UHFFFAOYSA-N 2 2 304.478 3.434 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3[NH2+]CC34CCCC4)c2)[nH+]c1C ZINC001263067245 1107929270 /nfs/dbraw/zinc/92/92/70/1107929270.db2.gz HZPNQAJNHYTMCB-INIZCTEOSA-N 2 2 324.428 3.164 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001263099076 1107944633 /nfs/dbraw/zinc/94/46/33/1107944633.db2.gz XWBUTPHAARTABH-KBRIMQKVSA-N 2 2 324.428 3.184 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc2)[nH+]c1C ZINC001263183139 1107969891 /nfs/dbraw/zinc/96/98/91/1107969891.db2.gz KKCNFWXJTRULMO-OAHLLOKOSA-N 2 2 300.406 3.005 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(Cl)cc1 ZINC001318478533 1108038762 /nfs/dbraw/zinc/03/87/62/1108038762.db2.gz ZUAYVFNWJFQQTQ-UHFFFAOYSA-N 2 2 312.760 3.481 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2ccccc2[nH]1 ZINC001318815765 1108204681 /nfs/dbraw/zinc/20/46/81/1108204681.db2.gz TXGJCNOGPOJZKQ-UHFFFAOYSA-N 2 2 317.352 3.309 20 0 DGADLP CCc1nc(N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc(C)[nH+]1 ZINC001324259056 1108225842 /nfs/dbraw/zinc/22/58/42/1108225842.db2.gz ACZLXVKUNXFQPR-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP CCc1nc(N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc(C)[nH+]1 ZINC001324259056 1108225853 /nfs/dbraw/zinc/22/58/53/1108225853.db2.gz ACZLXVKUNXFQPR-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001325232370 1108602942 /nfs/dbraw/zinc/60/29/42/1108602942.db2.gz LLXXQQHISBWXNM-IRXDYDNUSA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001325232370 1108602948 /nfs/dbraw/zinc/60/29/48/1108602948.db2.gz LLXXQQHISBWXNM-IRXDYDNUSA-N 2 2 317.477 3.166 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2cc(C)[nH]n2)CC1)CC1CC1 ZINC001319730245 1108614382 /nfs/dbraw/zinc/61/43/82/1108614382.db2.gz UIRACTQJQSNMKU-UHFFFAOYSA-N 2 2 304.482 3.052 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)[nH]n2)CC1)CC1CC1 ZINC001319730245 1108614388 /nfs/dbraw/zinc/61/43/88/1108614388.db2.gz UIRACTQJQSNMKU-UHFFFAOYSA-N 2 2 304.482 3.052 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC001319765525 1108627494 /nfs/dbraw/zinc/62/74/94/1108627494.db2.gz KRLSFTJAOYJJNB-ZIAGYGMSSA-N 2 2 307.507 3.404 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC001319765525 1108627500 /nfs/dbraw/zinc/62/75/00/1108627500.db2.gz KRLSFTJAOYJJNB-ZIAGYGMSSA-N 2 2 307.507 3.404 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001319832921 1108657112 /nfs/dbraw/zinc/65/71/12/1108657112.db2.gz FNIPXUJZENNZBP-GSEOLPGOSA-N 2 2 315.505 3.284 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]C/C=C\Cl)c(C)[nH+]1 ZINC001283205071 1109603266 /nfs/dbraw/zinc/60/32/66/1109603266.db2.gz NWFFMBLGCYSRJM-WOLRVDTOSA-N 2 2 323.868 3.247 20 0 DGADLP CCCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432816 1111299345 /nfs/dbraw/zinc/29/93/45/1111299345.db2.gz BMTJXDWVYBLRAU-DLBZAZTESA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432816 1111299349 /nfs/dbraw/zinc/29/93/49/1111299349.db2.gz BMTJXDWVYBLRAU-DLBZAZTESA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432816 1111299351 /nfs/dbraw/zinc/29/93/51/1111299351.db2.gz BMTJXDWVYBLRAU-DLBZAZTESA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432816 1111299354 /nfs/dbraw/zinc/29/93/54/1111299354.db2.gz BMTJXDWVYBLRAU-DLBZAZTESA-N 2 2 310.482 3.452 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547107 1111313729 /nfs/dbraw/zinc/31/37/29/1111313729.db2.gz PZLMBSKBPGMHCK-HOTGVXAUSA-N 2 2 303.450 3.186 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547107 1111313732 /nfs/dbraw/zinc/31/37/32/1111313732.db2.gz PZLMBSKBPGMHCK-HOTGVXAUSA-N 2 2 303.450 3.186 20 0 DGADLP CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCC1CC1 ZINC001307658619 1111324578 /nfs/dbraw/zinc/32/45/78/1111324578.db2.gz CDNOYMDUNJBLRI-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCC1CC1 ZINC001307658619 1111324584 /nfs/dbraw/zinc/32/45/84/1111324584.db2.gz CDNOYMDUNJBLRI-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(NCC)n1 ZINC001307677164 1111326774 /nfs/dbraw/zinc/32/67/74/1111326774.db2.gz LMGXIMQKVFPLFN-UHFFFAOYSA-N 2 2 321.494 3.246 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(NCC)n1 ZINC001307677164 1111326777 /nfs/dbraw/zinc/32/67/77/1111326777.db2.gz LMGXIMQKVFPLFN-UHFFFAOYSA-N 2 2 321.494 3.246 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCCC[C@H]1C ZINC001307687204 1111327305 /nfs/dbraw/zinc/32/73/05/1111327305.db2.gz YJZLHNBBHNALFD-RLLQIKCJSA-N 2 2 318.505 3.380 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCCC[C@H]1C ZINC001307687204 1111327309 /nfs/dbraw/zinc/32/73/09/1111327309.db2.gz YJZLHNBBHNALFD-RLLQIKCJSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCCC[C@H]1C ZINC001307687204 1111327314 /nfs/dbraw/zinc/32/73/14/1111327314.db2.gz YJZLHNBBHNALFD-RLLQIKCJSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCCC[C@H]1C ZINC001307687204 1111327317 /nfs/dbraw/zinc/32/73/17/1111327317.db2.gz YJZLHNBBHNALFD-RLLQIKCJSA-N 2 2 318.505 3.380 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822139 1111343231 /nfs/dbraw/zinc/34/32/31/1111343231.db2.gz BCLWNIVCGWPBKI-QZTJIDSGSA-N 2 2 310.526 3.416 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822139 1111343235 /nfs/dbraw/zinc/34/32/35/1111343235.db2.gz BCLWNIVCGWPBKI-QZTJIDSGSA-N 2 2 310.526 3.416 20 0 DGADLP CC[C@H](C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001308189123 1111393179 /nfs/dbraw/zinc/39/31/79/1111393179.db2.gz SFMUOYZRDCGFIY-OKZBNKHCSA-N 2 2 304.478 3.269 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001308195689 1111395382 /nfs/dbraw/zinc/39/53/82/1111395382.db2.gz SNXOBVYIFDPIAL-UHFFFAOYSA-N 2 2 300.450 3.001 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC001308195689 1111395384 /nfs/dbraw/zinc/39/53/84/1111395384.db2.gz SNXOBVYIFDPIAL-UHFFFAOYSA-N 2 2 300.450 3.001 20 0 DGADLP Cn1ccnc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC001308234273 1111402230 /nfs/dbraw/zinc/40/22/30/1111402230.db2.gz QNPWXIXOTGQFGC-UHFFFAOYSA-N 2 2 312.461 3.086 20 0 DGADLP C[C@@H](C[NH2+]C1CCC2(COC(C)(C)C2)CC1)Cn1cc[nH+]c1 ZINC001308246261 1111403757 /nfs/dbraw/zinc/40/37/57/1111403757.db2.gz AIZFUFSNIXASAW-HJOIGYKYSA-N 2 2 305.466 3.237 20 0 DGADLP C[C@H]1Cc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc2O1 ZINC001308660284 1111456730 /nfs/dbraw/zinc/45/67/30/1111456730.db2.gz KLXUWIPXVRKXQZ-INIZCTEOSA-N 2 2 314.473 3.460 20 0 DGADLP c1coc(C2=CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC001308758291 1111470879 /nfs/dbraw/zinc/47/08/79/1111470879.db2.gz MZSATRLIZQNVGF-UHFFFAOYSA-N 2 2 306.369 3.150 20 0 DGADLP c1coc(C2=CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC001308758291 1111470884 /nfs/dbraw/zinc/47/08/84/1111470884.db2.gz MZSATRLIZQNVGF-UHFFFAOYSA-N 2 2 306.369 3.150 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001308784106 1111475065 /nfs/dbraw/zinc/47/50/65/1111475065.db2.gz CQANXBYACMOWTE-LBPRGKRZSA-N 2 2 316.792 3.235 20 0 DGADLP CCn1nc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c2ccccc21 ZINC001308983798 1111504559 /nfs/dbraw/zinc/50/45/59/1111504559.db2.gz SZLBOHXAASZUDA-UHFFFAOYSA-N 2 2 323.444 3.169 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1F)C[C@H]1CCC[NH2+]C1 ZINC000234358394 546278620 /nfs/dbraw/zinc/27/86/20/546278620.db2.gz NTXGACGSFLJMEM-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1F)C[C@H]1CCC[NH2+]C1 ZINC000234358394 546278625 /nfs/dbraw/zinc/27/86/25/546278625.db2.gz NTXGACGSFLJMEM-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CCO[C@H](C)c1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000076729313 185035561 /nfs/dbraw/zinc/03/55/61/185035561.db2.gz JDKCGVPZABCLFP-CYBMUJFWSA-N 2 2 320.462 3.274 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(F)c1F ZINC000278469838 214174072 /nfs/dbraw/zinc/17/40/72/214174072.db2.gz JSKYGABHYAZFSB-KGLIPLIRSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(F)c1F ZINC000278469838 214174074 /nfs/dbraw/zinc/17/40/74/214174074.db2.gz JSKYGABHYAZFSB-KGLIPLIRSA-N 2 2 312.404 3.116 20 0 DGADLP COc1cccc([C@@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278457320 214166311 /nfs/dbraw/zinc/16/63/11/214166311.db2.gz XDOAEHNNSIUPSP-MAUKXSAKSA-N 2 2 320.502 3.175 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512422 214202983 /nfs/dbraw/zinc/20/29/83/214202983.db2.gz BLFYZUQDBHPLET-ZCNNSNEGSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512422 214202985 /nfs/dbraw/zinc/20/29/85/214202985.db2.gz BLFYZUQDBHPLET-ZCNNSNEGSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512422 214202988 /nfs/dbraw/zinc/20/29/88/214202988.db2.gz BLFYZUQDBHPLET-ZCNNSNEGSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512422 214202992 /nfs/dbraw/zinc/20/29/92/214202992.db2.gz BLFYZUQDBHPLET-ZCNNSNEGSA-N 2 2 314.473 3.009 20 0 DGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000305862125 282132882 /nfs/dbraw/zinc/13/28/82/282132882.db2.gz YKYIXBCTKNQIKZ-PBHICJAKSA-N 2 2 304.434 3.032 20 0 DGADLP CSC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000278680896 214321329 /nfs/dbraw/zinc/32/13/29/214321329.db2.gz PCBCJATZVLVHEM-UHFFFAOYSA-N 2 2 305.422 3.387 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000278716600 214350105 /nfs/dbraw/zinc/35/01/05/214350105.db2.gz PCNCENIROWHWCY-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310099040 231109294 /nfs/dbraw/zinc/10/92/94/231109294.db2.gz WSWVLBYBIDEZQT-FXAWDEMLSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310099040 231109298 /nfs/dbraw/zinc/10/92/98/231109298.db2.gz WSWVLBYBIDEZQT-FXAWDEMLSA-N 2 2 324.472 3.348 20 0 DGADLP COC1(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000310344720 231113848 /nfs/dbraw/zinc/11/38/48/231113848.db2.gz OXNAYQOWQHMWDT-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP COC1(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000310344720 231113851 /nfs/dbraw/zinc/11/38/51/231113851.db2.gz OXNAYQOWQHMWDT-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cc(Br)cs2)n1C ZINC000667530582 547212881 /nfs/dbraw/zinc/21/28/81/547212881.db2.gz CBJVZWSUKWYTNT-UHFFFAOYSA-N 2 2 314.252 3.185 20 0 DGADLP C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636906 231216774 /nfs/dbraw/zinc/21/67/74/231216774.db2.gz QSMSUCWVTVAATC-QFBILLFUSA-N 2 2 313.445 3.388 20 0 DGADLP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636906 231216777 /nfs/dbraw/zinc/21/67/77/231216777.db2.gz QSMSUCWVTVAATC-QFBILLFUSA-N 2 2 313.445 3.388 20 0 DGADLP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636905 231217104 /nfs/dbraw/zinc/21/71/04/231217104.db2.gz QSMSUCWVTVAATC-LPHOPBHVSA-N 2 2 313.445 3.388 20 0 DGADLP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636905 231217106 /nfs/dbraw/zinc/21/71/06/231217106.db2.gz QSMSUCWVTVAATC-LPHOPBHVSA-N 2 2 313.445 3.388 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420365108 529430022 /nfs/dbraw/zinc/43/00/22/529430022.db2.gz PVVGYULQRLSWBE-CJNGLKHVSA-N 2 2 305.466 3.102 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845247 210240602 /nfs/dbraw/zinc/24/06/02/210240602.db2.gz KFOPMJYLNASREM-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845247 210240608 /nfs/dbraw/zinc/24/06/08/210240608.db2.gz KFOPMJYLNASREM-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845247 210240610 /nfs/dbraw/zinc/24/06/10/210240610.db2.gz KFOPMJYLNASREM-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845247 210240614 /nfs/dbraw/zinc/24/06/14/210240614.db2.gz KFOPMJYLNASREM-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000435985309 529591188 /nfs/dbraw/zinc/59/11/88/529591188.db2.gz SESBGFIUUGPYRA-CABCVRRESA-N 2 2 320.481 3.123 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1OC ZINC000415065187 529611554 /nfs/dbraw/zinc/61/15/54/529611554.db2.gz MEYSEXJEOSNXHA-SFHVURJKSA-N 2 2 314.429 3.056 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000415065234 529616809 /nfs/dbraw/zinc/61/68/09/529616809.db2.gz MLSATSURURBUSW-GOSISDBHSA-N 2 2 322.456 3.408 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000415068641 529617164 /nfs/dbraw/zinc/61/71/64/529617164.db2.gz RNEFYXSESGLLRQ-GOSISDBHSA-N 2 2 321.424 3.292 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)[C@@H]1CCOC1 ZINC000443202103 529666024 /nfs/dbraw/zinc/66/60/24/529666024.db2.gz IYTYOBDPFFKURA-FPAYPSAMSA-N 2 2 304.478 3.391 20 0 DGADLP Clc1ccc(Br)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000090251094 185288140 /nfs/dbraw/zinc/28/81/40/185288140.db2.gz YMASYSISHHDVGA-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320479 185290896 /nfs/dbraw/zinc/29/08/96/185290896.db2.gz DDCGOYYKYXBJIA-GUTXKFCHSA-N 2 2 309.251 3.051 20 0 DGADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320479 185290897 /nfs/dbraw/zinc/29/08/97/185290897.db2.gz DDCGOYYKYXBJIA-GUTXKFCHSA-N 2 2 309.251 3.051 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320480 185290994 /nfs/dbraw/zinc/29/09/94/185290994.db2.gz DDCGOYYKYXBJIA-VNHYZAJKSA-N 2 2 309.251 3.051 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320480 185290995 /nfs/dbraw/zinc/29/09/95/185290995.db2.gz DDCGOYYKYXBJIA-VNHYZAJKSA-N 2 2 309.251 3.051 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[nH]n1 ZINC000090530951 185300932 /nfs/dbraw/zinc/30/09/32/185300932.db2.gz INKLABCWRCXJKS-HIFRSBDPSA-N 2 2 309.417 3.186 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000090530951 185300933 /nfs/dbraw/zinc/30/09/33/185300933.db2.gz INKLABCWRCXJKS-HIFRSBDPSA-N 2 2 309.417 3.186 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[nH]n1 ZINC000090530962 185301185 /nfs/dbraw/zinc/30/11/85/185301185.db2.gz INKLABCWRCXJKS-DZGCQCFKSA-N 2 2 309.417 3.186 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000090530962 185301186 /nfs/dbraw/zinc/30/11/86/185301186.db2.gz INKLABCWRCXJKS-DZGCQCFKSA-N 2 2 309.417 3.186 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129630950 432006872 /nfs/dbraw/zinc/00/68/72/432006872.db2.gz GBSJBCGYMRFYOD-QAPCUYQASA-N 2 2 322.880 3.445 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129630950 432006874 /nfs/dbraw/zinc/00/68/74/432006874.db2.gz GBSJBCGYMRFYOD-QAPCUYQASA-N 2 2 322.880 3.445 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435435901 529976870 /nfs/dbraw/zinc/97/68/70/529976870.db2.gz CTYIOTCYOWHGNE-ZDUSSCGKSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435435901 529976871 /nfs/dbraw/zinc/97/68/71/529976871.db2.gz CTYIOTCYOWHGNE-ZDUSSCGKSA-N 2 2 304.331 3.418 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430662387 530001645 /nfs/dbraw/zinc/00/16/45/530001645.db2.gz IAICRGBPAOWWJF-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430662387 530001646 /nfs/dbraw/zinc/00/16/46/530001646.db2.gz IAICRGBPAOWWJF-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000430562493 530003225 /nfs/dbraw/zinc/00/32/25/530003225.db2.gz DXBAELUILKGIIN-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000430562493 530003226 /nfs/dbraw/zinc/00/32/26/530003226.db2.gz DXBAELUILKGIIN-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cn1 ZINC000435781457 530036980 /nfs/dbraw/zinc/03/69/80/530036980.db2.gz JCJCLIVFURXYKC-GOSISDBHSA-N 2 2 310.445 3.033 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cn1 ZINC000435781457 530036981 /nfs/dbraw/zinc/03/69/81/530036981.db2.gz JCJCLIVFURXYKC-GOSISDBHSA-N 2 2 310.445 3.033 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000105480827 432018671 /nfs/dbraw/zinc/01/86/71/432018671.db2.gz CQLWVVZCYOJQKG-HZMBPMFUSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000105480827 432018673 /nfs/dbraw/zinc/01/86/73/432018673.db2.gz CQLWVVZCYOJQKG-HZMBPMFUSA-N 2 2 315.230 3.018 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000272637744 210041234 /nfs/dbraw/zinc/04/12/34/210041234.db2.gz NYWCWYAATNDRLV-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000272637744 210041236 /nfs/dbraw/zinc/04/12/36/210041236.db2.gz NYWCWYAATNDRLV-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OCC ZINC000272637744 210041238 /nfs/dbraw/zinc/04/12/38/210041238.db2.gz NYWCWYAATNDRLV-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OCC ZINC000272637744 210041239 /nfs/dbraw/zinc/04/12/39/210041239.db2.gz NYWCWYAATNDRLV-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000279959130 215271093 /nfs/dbraw/zinc/27/10/93/215271093.db2.gz PBGNLZGRZRXHBL-GJZGRUSLSA-N 2 2 317.433 3.072 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3ccccc3)c2cc1C ZINC000182035600 199376841 /nfs/dbraw/zinc/37/68/41/199376841.db2.gz KIABQXGUWVABSR-WMZOPIPTSA-N 2 2 323.440 3.365 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750679 186378277 /nfs/dbraw/zinc/37/82/77/186378277.db2.gz JKVPDYZIYPTDGT-MQIPJXDCSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750679 186378279 /nfs/dbraw/zinc/37/82/79/186378279.db2.gz JKVPDYZIYPTDGT-MQIPJXDCSA-N 2 2 310.388 3.421 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000269589482 186392974 /nfs/dbraw/zinc/39/29/74/186392974.db2.gz RXGAQCDEVSIKFX-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000269589482 186392977 /nfs/dbraw/zinc/39/29/77/186392977.db2.gz RXGAQCDEVSIKFX-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277247393 213393108 /nfs/dbraw/zinc/39/31/08/213393108.db2.gz QAVSAWXNNYLZND-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277247393 213393111 /nfs/dbraw/zinc/39/31/11/213393111.db2.gz QAVSAWXNNYLZND-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277180232 213349359 /nfs/dbraw/zinc/34/93/59/213349359.db2.gz LGQAMYHPFMAZLY-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277180232 213349360 /nfs/dbraw/zinc/34/93/60/213349360.db2.gz LGQAMYHPFMAZLY-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277180237 213348931 /nfs/dbraw/zinc/34/89/31/213348931.db2.gz LGQAMYHPFMAZLY-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277180237 213348933 /nfs/dbraw/zinc/34/89/33/213348933.db2.gz LGQAMYHPFMAZLY-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+](C)CCn1cc[nH+]c1 ZINC000130779330 432029230 /nfs/dbraw/zinc/02/92/30/432029230.db2.gz INHABRXTKJAMFH-GFCCVEGCSA-N 2 2 308.223 3.339 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+](C)CCn1cc[nH+]c1 ZINC000130779330 432029233 /nfs/dbraw/zinc/02/92/33/432029233.db2.gz INHABRXTKJAMFH-GFCCVEGCSA-N 2 2 308.223 3.339 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859029 191243103 /nfs/dbraw/zinc/24/31/03/191243103.db2.gz FGLNSYUMJLHIHT-AWEZNQCLSA-N 2 2 300.368 3.479 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859029 191243106 /nfs/dbraw/zinc/24/31/06/191243106.db2.gz FGLNSYUMJLHIHT-AWEZNQCLSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859029 191243109 /nfs/dbraw/zinc/24/31/09/191243109.db2.gz FGLNSYUMJLHIHT-AWEZNQCLSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859029 191243112 /nfs/dbraw/zinc/24/31/12/191243112.db2.gz FGLNSYUMJLHIHT-AWEZNQCLSA-N 2 2 300.368 3.479 20 0 DGADLP Clc1ccc(CC[N@H+](CCn2cc[nH+]c2)CC2CC2)cc1 ZINC000131370888 432036199 /nfs/dbraw/zinc/03/61/99/432036199.db2.gz ROLCNCOHGRGWPN-UHFFFAOYSA-N 2 2 303.837 3.491 20 0 DGADLP Clc1ccc(CC[N@@H+](CCn2cc[nH+]c2)CC2CC2)cc1 ZINC000131370888 432036204 /nfs/dbraw/zinc/03/62/04/432036204.db2.gz ROLCNCOHGRGWPN-UHFFFAOYSA-N 2 2 303.837 3.491 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000163749947 432042170 /nfs/dbraw/zinc/04/21/70/432042170.db2.gz KBQMAMBVTHARLI-MRXNPFEDSA-N 2 2 302.462 3.187 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000163781340 432042459 /nfs/dbraw/zinc/04/24/59/432042459.db2.gz HDQDASYUMQZYFS-AWEZNQCLSA-N 2 2 312.417 3.193 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000163800055 432043103 /nfs/dbraw/zinc/04/31/03/432043103.db2.gz GJQHENZAOAEFIV-RNIPGJKVSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000163800055 432043104 /nfs/dbraw/zinc/04/31/04/432043104.db2.gz GJQHENZAOAEFIV-RNIPGJKVSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[N@@H+](C)C2CCCC2)c(C)[nH+]1 ZINC000332540820 235072527 /nfs/dbraw/zinc/07/25/27/235072527.db2.gz CPEWRIULOMBKKA-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[N@H+](C)C2CCCC2)c(C)[nH+]1 ZINC000332540820 235072530 /nfs/dbraw/zinc/07/25/30/235072530.db2.gz CPEWRIULOMBKKA-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)o2)cs1 ZINC000164408129 432047473 /nfs/dbraw/zinc/04/74/73/432047473.db2.gz PODWMYUOCADOQH-DGCLKSJQSA-N 2 2 305.447 3.284 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cs1 ZINC000164408129 432047476 /nfs/dbraw/zinc/04/74/76/432047476.db2.gz PODWMYUOCADOQH-DGCLKSJQSA-N 2 2 305.447 3.284 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000080266384 192019240 /nfs/dbraw/zinc/01/92/40/192019240.db2.gz WYGAZYKUOHPMNI-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP CC(C)C[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272266127 209647961 /nfs/dbraw/zinc/64/79/61/209647961.db2.gz MLFQDKUUHANAHD-OAHLLOKOSA-N 2 2 304.482 3.459 20 0 DGADLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@@H]2C1 ZINC000486642541 283153631 /nfs/dbraw/zinc/15/36/31/283153631.db2.gz FJGDKTBZUFHAHM-YVEFUNNKSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@@H]2C1 ZINC000486642541 283153632 /nfs/dbraw/zinc/15/36/32/283153632.db2.gz FJGDKTBZUFHAHM-YVEFUNNKSA-N 2 2 301.821 3.419 20 0 DGADLP C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081569739 192292515 /nfs/dbraw/zinc/29/25/15/192292515.db2.gz HRMQHWWQLAASBG-AWEZNQCLSA-N 2 2 315.417 3.034 20 0 DGADLP C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081569739 192292516 /nfs/dbraw/zinc/29/25/16/192292516.db2.gz HRMQHWWQLAASBG-AWEZNQCLSA-N 2 2 315.417 3.034 20 0 DGADLP CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179430926 432058784 /nfs/dbraw/zinc/05/87/84/432058784.db2.gz WNTBPCMUFDEJPQ-UHFFFAOYSA-N 2 2 322.456 3.335 20 0 DGADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000133878580 432071640 /nfs/dbraw/zinc/07/16/40/432071640.db2.gz NRKCBSGEZHZMOQ-MOPGFXCFSA-N 2 2 322.456 3.276 20 0 DGADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000133878580 432071641 /nfs/dbraw/zinc/07/16/41/432071641.db2.gz NRKCBSGEZHZMOQ-MOPGFXCFSA-N 2 2 322.456 3.276 20 0 DGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CCOC1 ZINC000179841815 432071975 /nfs/dbraw/zinc/07/19/75/432071975.db2.gz AEERTFSSZMRKCY-CVEARBPZSA-N 2 2 317.477 3.054 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)o2)[C@@H](C)C1 ZINC000134122664 432073462 /nfs/dbraw/zinc/07/34/62/432073462.db2.gz FUFBVHYZUJLJBR-YJBOKZPZSA-N 2 2 308.466 3.069 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)o2)[C@@H](C)C1 ZINC000134122664 432073463 /nfs/dbraw/zinc/07/34/63/432073463.db2.gz FUFBVHYZUJLJBR-YJBOKZPZSA-N 2 2 308.466 3.069 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180992109 199238179 /nfs/dbraw/zinc/23/81/79/199238179.db2.gz IVURHDQTDYNWAM-RBSFLKMASA-N 2 2 300.450 3.190 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180992109 199238181 /nfs/dbraw/zinc/23/81/81/199238181.db2.gz IVURHDQTDYNWAM-RBSFLKMASA-N 2 2 300.450 3.190 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414922363 236952137 /nfs/dbraw/zinc/95/21/37/236952137.db2.gz FZGDXBNHZNQWSD-TVQRCGJNSA-N 2 2 306.759 3.446 20 0 DGADLP [NH3+]CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000415057122 237040654 /nfs/dbraw/zinc/04/06/54/237040654.db2.gz QXAWNVBBPVOTPZ-FQEVSTJZSA-N 3 2 320.440 3.442 20 0 DGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000415061249 237046490 /nfs/dbraw/zinc/04/64/90/237046490.db2.gz ZTLZQALOPIJWOD-AZUAARDMSA-N 2 2 303.409 3.080 20 0 DGADLP Cc1nc2ccc(C[NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)cc2s1 ZINC000415060573 237047430 /nfs/dbraw/zinc/04/74/30/237047430.db2.gz YSHZTKFPJGVJDT-FUHWJXTLSA-N 2 2 323.465 3.450 20 0 DGADLP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCC2)c1 ZINC000415096590 237077813 /nfs/dbraw/zinc/07/78/13/237077813.db2.gz BPNVHXXCWWACRK-HNNXBMFYSA-N 2 2 312.379 3.469 20 0 DGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000415108225 237085646 /nfs/dbraw/zinc/08/56/46/237085646.db2.gz PSEDFCAFRUGPBI-XUJVJEKNSA-N 2 2 318.396 3.057 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000187948618 200181241 /nfs/dbraw/zinc/18/12/41/200181241.db2.gz PRDAMNYIOVEMAF-PKOBYXMFSA-N 2 2 324.472 3.000 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187948618 200181243 /nfs/dbraw/zinc/18/12/43/200181243.db2.gz PRDAMNYIOVEMAF-PKOBYXMFSA-N 2 2 324.472 3.000 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CC[NH2+]CC1 ZINC000237565500 202284112 /nfs/dbraw/zinc/28/41/12/202284112.db2.gz SZSMLKNEFRNLOW-CYBMUJFWSA-N 2 2 312.417 3.041 20 0 DGADLP CCOC1CC(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000188778715 200302274 /nfs/dbraw/zinc/30/22/74/200302274.db2.gz HFHFDGSTQAWKOD-UHFFFAOYSA-N 2 2 313.445 3.476 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000238026341 202421931 /nfs/dbraw/zinc/42/19/31/202421931.db2.gz NRJCTXRCTQEHON-KGLIPLIRSA-N 2 2 311.385 3.330 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423038078 237819313 /nfs/dbraw/zinc/81/93/13/237819313.db2.gz CJXPOZYCJYGAOQ-NIKGAXFTSA-N 2 2 318.436 3.118 20 0 DGADLP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423527294 237857059 /nfs/dbraw/zinc/85/70/59/237857059.db2.gz MGARFSAGXRDZKE-UHOFOFEASA-N 2 2 301.459 3.166 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccn1C ZINC000183022511 299307863 /nfs/dbraw/zinc/30/78/63/299307863.db2.gz ZVPMHEYTVKGPCM-DZKIICNBSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nccn1C ZINC000183022511 299307867 /nfs/dbraw/zinc/30/78/67/299307867.db2.gz ZVPMHEYTVKGPCM-DZKIICNBSA-N 2 2 318.490 3.215 20 0 DGADLP Clc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134916303 432088829 /nfs/dbraw/zinc/08/88/29/432088829.db2.gz WSKXOXPENZVMHD-BXUZGUMPSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134916303 432088831 /nfs/dbraw/zinc/08/88/31/432088831.db2.gz WSKXOXPENZVMHD-BXUZGUMPSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000134916303 432088832 /nfs/dbraw/zinc/08/88/32/432088832.db2.gz WSKXOXPENZVMHD-BXUZGUMPSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000134916303 432088834 /nfs/dbraw/zinc/08/88/34/432088834.db2.gz WSKXOXPENZVMHD-BXUZGUMPSA-N 2 2 311.882 3.245 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1nccs1 ZINC000423474481 299311403 /nfs/dbraw/zinc/31/14/03/299311403.db2.gz PBJRPPPRZFIJGO-DUVNUKRYSA-N 2 2 319.449 3.326 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000429724803 238059315 /nfs/dbraw/zinc/05/93/15/238059315.db2.gz XQSZXOLNSQNWQQ-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000429724803 238059317 /nfs/dbraw/zinc/05/93/17/238059317.db2.gz XQSZXOLNSQNWQQ-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578242 238080127 /nfs/dbraw/zinc/08/01/27/238080127.db2.gz WFRVXXAQFYUGMH-LLVKDONJSA-N 2 2 314.389 3.203 20 0 DGADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578242 238080128 /nfs/dbraw/zinc/08/01/28/238080128.db2.gz WFRVXXAQFYUGMH-LLVKDONJSA-N 2 2 314.389 3.203 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000430571050 238080268 /nfs/dbraw/zinc/08/02/68/238080268.db2.gz LBPTXZZOMJHNSZ-FQEVSTJZSA-N 2 2 323.440 3.156 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H]1C[NH3+] ZINC000430574141 238080284 /nfs/dbraw/zinc/08/02/84/238080284.db2.gz ILCDRHFDLJGMGH-YVEFUNNKSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H]1C[NH3+] ZINC000430574141 238080285 /nfs/dbraw/zinc/08/02/85/238080285.db2.gz ILCDRHFDLJGMGH-YVEFUNNKSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000430598798 238081559 /nfs/dbraw/zinc/08/15/59/238081559.db2.gz UBKSHDVCYKRRQT-INIZCTEOSA-N 2 2 305.809 3.212 20 0 DGADLP Clc1scc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000432247634 238123401 /nfs/dbraw/zinc/12/34/01/238123401.db2.gz SQXPJSDIWYEWJW-SECBINFHSA-N 2 2 302.230 3.356 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000432751789 238135167 /nfs/dbraw/zinc/13/51/67/238135167.db2.gz DQHDHWVPGZTXLO-ZDUSSCGKSA-N 2 2 319.449 3.353 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000432751789 238135168 /nfs/dbraw/zinc/13/51/68/238135168.db2.gz DQHDHWVPGZTXLO-ZDUSSCGKSA-N 2 2 319.449 3.353 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432787492 238136120 /nfs/dbraw/zinc/13/61/20/238136120.db2.gz GTETZFCNOJXXTL-ZDUSSCGKSA-N 2 2 307.438 3.352 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432787492 238136121 /nfs/dbraw/zinc/13/61/21/238136121.db2.gz GTETZFCNOJXXTL-ZDUSSCGKSA-N 2 2 307.438 3.352 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331663 238156401 /nfs/dbraw/zinc/15/64/01/238156401.db2.gz OCJPOWYGKIMHHC-AWEZNQCLSA-N 2 2 302.422 3.024 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331663 238156402 /nfs/dbraw/zinc/15/64/02/238156402.db2.gz OCJPOWYGKIMHHC-AWEZNQCLSA-N 2 2 302.422 3.024 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331664 238156498 /nfs/dbraw/zinc/15/64/98/238156498.db2.gz OCJPOWYGKIMHHC-CQSZACIVSA-N 2 2 302.422 3.024 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331664 238156499 /nfs/dbraw/zinc/15/64/99/238156499.db2.gz OCJPOWYGKIMHHC-CQSZACIVSA-N 2 2 302.422 3.024 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000131072861 299316898 /nfs/dbraw/zinc/31/68/98/299316898.db2.gz VJFLYDSXHBRPOG-DFQSSKMNSA-N 2 2 316.489 3.474 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccnc1 ZINC000436044807 238388452 /nfs/dbraw/zinc/38/84/52/238388452.db2.gz CJGPTSRRROLOHE-HUUCEWRRSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccnc1 ZINC000436044807 238388457 /nfs/dbraw/zinc/38/84/57/238388457.db2.gz CJGPTSRRROLOHE-HUUCEWRRSA-N 2 2 316.474 3.019 20 0 DGADLP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000435926105 238372589 /nfs/dbraw/zinc/37/25/89/238372589.db2.gz HNRMNMKXMRWAON-UHFFFAOYSA-N 2 2 320.396 3.391 20 0 DGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271891566 209301311 /nfs/dbraw/zinc/30/13/11/209301311.db2.gz XECUFLUZZPHNPI-KBAYOESNSA-N 2 2 313.445 3.360 20 0 DGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271891566 209301315 /nfs/dbraw/zinc/30/13/15/209301315.db2.gz XECUFLUZZPHNPI-KBAYOESNSA-N 2 2 313.445 3.360 20 0 DGADLP O[C@H](C[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271889893 209299308 /nfs/dbraw/zinc/29/93/08/209299308.db2.gz DSKDWNBGNGXPNI-DLBZAZTESA-N 2 2 317.433 3.235 20 0 DGADLP O[C@H](C[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271889893 209299312 /nfs/dbraw/zinc/29/93/12/209299312.db2.gz DSKDWNBGNGXPNI-DLBZAZTESA-N 2 2 317.433 3.235 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000292859389 223278781 /nfs/dbraw/zinc/27/87/81/223278781.db2.gz VDFSPAPFNALGSP-QGZVFWFLSA-N 2 2 313.420 3.330 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246132746 432099141 /nfs/dbraw/zinc/09/91/41/432099141.db2.gz JSOPRPVNGORROI-WMLDXEAASA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246132746 432099144 /nfs/dbraw/zinc/09/91/44/432099144.db2.gz JSOPRPVNGORROI-WMLDXEAASA-N 2 2 312.461 3.061 20 0 DGADLP Clc1cc(Br)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000135128329 432099492 /nfs/dbraw/zinc/09/94/92/432099492.db2.gz QBTRWZZGTWPPMG-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1[nH+]c2cccc(F)c2n1C ZINC000443519998 239207506 /nfs/dbraw/zinc/20/75/06/239207506.db2.gz QGSFFDUSACZKDV-AWEZNQCLSA-N 2 2 318.440 3.201 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1[nH+]c2cccc(F)c2n1C ZINC000443519998 239207509 /nfs/dbraw/zinc/20/75/09/239207509.db2.gz QGSFFDUSACZKDV-AWEZNQCLSA-N 2 2 318.440 3.201 20 0 DGADLP Cc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000443961088 239242233 /nfs/dbraw/zinc/24/22/33/239242233.db2.gz FEBOTYKVSAKCPI-HUUCEWRRSA-N 2 2 310.869 3.237 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ncc(Br)s1 ZINC000423512175 299348872 /nfs/dbraw/zinc/34/88/72/299348872.db2.gz UPAAYVGWPFDLCS-WPRPVWTQSA-N 2 2 318.284 3.074 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000449072304 240003196 /nfs/dbraw/zinc/00/31/96/240003196.db2.gz DYUAYPRNMKKSFY-IINYFYTJSA-N 2 2 310.363 3.165 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000449072304 240003201 /nfs/dbraw/zinc/00/32/01/240003201.db2.gz DYUAYPRNMKKSFY-IINYFYTJSA-N 2 2 310.363 3.165 20 0 DGADLP CC(C)COc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000449101678 240017482 /nfs/dbraw/zinc/01/74/82/240017482.db2.gz GIUCDWAVDRMZHT-MRXNPFEDSA-N 2 2 301.434 3.344 20 0 DGADLP Fc1cnccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000449289401 240112735 /nfs/dbraw/zinc/11/27/35/240112735.db2.gz AJHCGSOPCZIFTM-UHFFFAOYSA-N 2 2 314.408 3.133 20 0 DGADLP CCc1nnc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)[nH]1 ZINC000449349161 240150677 /nfs/dbraw/zinc/15/06/77/240150677.db2.gz PMPTYADGOAFCAZ-UHFFFAOYSA-N 2 2 321.513 3.136 20 0 DGADLP CCC[C@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000449394215 240172976 /nfs/dbraw/zinc/17/29/76/240172976.db2.gz FLTJBEAYPJVFRJ-MOPGFXCFSA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000449394215 240172980 /nfs/dbraw/zinc/17/29/80/240172980.db2.gz FLTJBEAYPJVFRJ-MOPGFXCFSA-N 2 2 304.478 3.007 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000449397533 240173296 /nfs/dbraw/zinc/17/32/96/240173296.db2.gz QJFFHQNQAXVIOK-IIIMJFFVSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000449397533 240173299 /nfs/dbraw/zinc/17/32/99/240173299.db2.gz QJFFHQNQAXVIOK-IIIMJFFVSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000449400993 240176185 /nfs/dbraw/zinc/17/61/85/240176185.db2.gz KTOLZXIFPLWCOX-RYUDHWBXSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000449400993 240176193 /nfs/dbraw/zinc/17/61/93/240176193.db2.gz KTOLZXIFPLWCOX-RYUDHWBXSA-N 2 2 312.816 3.073 20 0 DGADLP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449433006 240200115 /nfs/dbraw/zinc/20/01/15/240200115.db2.gz KKABGZWNWXKTFO-QZTJIDSGSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCOC1 ZINC000449471416 240228934 /nfs/dbraw/zinc/22/89/34/240228934.db2.gz CQYPTCIUOWLBNT-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCOC1 ZINC000449471416 240228938 /nfs/dbraw/zinc/22/89/38/240228938.db2.gz CQYPTCIUOWLBNT-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000449484077 240236690 /nfs/dbraw/zinc/23/66/90/240236690.db2.gz LJSZKNIFHFWLBI-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000449484077 240236693 /nfs/dbraw/zinc/23/66/93/240236693.db2.gz LJSZKNIFHFWLBI-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP CO[C@](C)(C[NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccccc1 ZINC000449485325 240238244 /nfs/dbraw/zinc/23/82/44/240238244.db2.gz PVFDKGLBNWPDCD-LJQANCHMSA-N 2 2 309.413 3.294 20 0 DGADLP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449491233 240240212 /nfs/dbraw/zinc/24/02/12/240240212.db2.gz FXTLTORBUYJSNQ-OAHLLOKOSA-N 2 2 309.404 3.071 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c[nH+]1 ZINC000449543101 240276961 /nfs/dbraw/zinc/27/69/61/240276961.db2.gz RZNVZBPPKOJEGW-RBUKOAKNSA-N 2 2 311.429 3.228 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000449560838 240291216 /nfs/dbraw/zinc/29/12/16/240291216.db2.gz QBKGJNACRDNEIG-MNIJEXPFSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560838 240291218 /nfs/dbraw/zinc/29/12/18/240291218.db2.gz QBKGJNACRDNEIG-MNIJEXPFSA-N 3 2 319.537 3.244 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)ccc1OCC(C)C ZINC000171131811 432105721 /nfs/dbraw/zinc/10/57/21/432105721.db2.gz XBCXAVUTYDPHNF-CYBMUJFWSA-N 2 2 303.406 3.304 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Br ZINC000275344191 212280045 /nfs/dbraw/zinc/28/00/45/212280045.db2.gz XUSTXBVXUYVPSV-WFASDCNBSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Br ZINC000275344191 212280048 /nfs/dbraw/zinc/28/00/48/212280048.db2.gz XUSTXBVXUYVPSV-WFASDCNBSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1Br ZINC000275344191 212280051 /nfs/dbraw/zinc/28/00/51/212280051.db2.gz XUSTXBVXUYVPSV-WFASDCNBSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1Br ZINC000275344191 212280054 /nfs/dbraw/zinc/28/00/54/212280054.db2.gz XUSTXBVXUYVPSV-WFASDCNBSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171141746 432106810 /nfs/dbraw/zinc/10/68/10/432106810.db2.gz LPRLZICJWRBVTR-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000091726961 193098311 /nfs/dbraw/zinc/09/83/11/193098311.db2.gz VJXFLVPZVHZJQJ-WMZOPIPTSA-N 2 2 320.477 3.013 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043050 193145019 /nfs/dbraw/zinc/14/50/19/193145019.db2.gz LQXMFAUTSWLWIF-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043050 193145021 /nfs/dbraw/zinc/14/50/21/193145021.db2.gz LQXMFAUTSWLWIF-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043050 193145022 /nfs/dbraw/zinc/14/50/22/193145022.db2.gz LQXMFAUTSWLWIF-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043050 193145024 /nfs/dbraw/zinc/14/50/24/193145024.db2.gz LQXMFAUTSWLWIF-IEBWSBKVSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1-c1ccccc1 ZINC000092043363 193146155 /nfs/dbraw/zinc/14/61/55/193146155.db2.gz SGHXKXLJJQWFIN-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1-c1ccccc1 ZINC000092043363 193146156 /nfs/dbraw/zinc/14/61/56/193146156.db2.gz SGHXKXLJJQWFIN-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1cccn2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000092066734 193152052 /nfs/dbraw/zinc/15/20/52/193152052.db2.gz FDSLARIPUSMABM-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000092066734 193152053 /nfs/dbraw/zinc/15/20/53/193152053.db2.gz FDSLARIPUSMABM-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000092067022 193152150 /nfs/dbraw/zinc/15/21/50/193152150.db2.gz MNLNWTJOPGDGIO-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000092067022 193152153 /nfs/dbraw/zinc/15/21/53/193152153.db2.gz MNLNWTJOPGDGIO-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000092066995 193152299 /nfs/dbraw/zinc/15/22/99/193152299.db2.gz RWEKJQYHVXGXDZ-SJLPKXTDSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000092066995 193152301 /nfs/dbraw/zinc/15/23/01/193152301.db2.gz RWEKJQYHVXGXDZ-SJLPKXTDSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000092066995 193152304 /nfs/dbraw/zinc/15/23/04/193152304.db2.gz RWEKJQYHVXGXDZ-SJLPKXTDSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000092066995 193152306 /nfs/dbraw/zinc/15/23/06/193152306.db2.gz RWEKJQYHVXGXDZ-SJLPKXTDSA-N 2 2 316.493 3.087 20 0 DGADLP C[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246227629 432108900 /nfs/dbraw/zinc/10/89/00/432108900.db2.gz FNOVSAJXJAGUPG-GDBMZVCRSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246227629 432108902 /nfs/dbraw/zinc/10/89/02/432108902.db2.gz FNOVSAJXJAGUPG-GDBMZVCRSA-N 2 2 319.836 3.498 20 0 DGADLP CC(C)SCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117792 241320366 /nfs/dbraw/zinc/32/03/66/241320366.db2.gz OALYXUPQRKJTIM-UHFFFAOYSA-N 2 2 312.445 3.477 20 0 DGADLP CC(C)SCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117792 241320371 /nfs/dbraw/zinc/32/03/71/241320371.db2.gz OALYXUPQRKJTIM-UHFFFAOYSA-N 2 2 312.445 3.477 20 0 DGADLP CCc1noc(C)c1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000293060454 223376116 /nfs/dbraw/zinc/37/61/16/223376116.db2.gz UQXRGFRYMSYEKO-UHFFFAOYSA-N 2 2 310.401 3.329 20 0 DGADLP C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246253473 432112082 /nfs/dbraw/zinc/11/20/82/432112082.db2.gz JTSUNPUTFCGSGG-WMLDXEAASA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246253473 432112084 /nfs/dbraw/zinc/11/20/84/432112084.db2.gz JTSUNPUTFCGSGG-WMLDXEAASA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc(Br)c1 ZINC000275271292 212239283 /nfs/dbraw/zinc/23/92/83/212239283.db2.gz QNHZHKCUOVDBKQ-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271292 212239272 /nfs/dbraw/zinc/23/92/72/212239272.db2.gz QNHZHKCUOVDBKQ-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271292 212239277 /nfs/dbraw/zinc/23/92/77/212239277.db2.gz QNHZHKCUOVDBKQ-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc(Br)c1 ZINC000275271292 212239281 /nfs/dbraw/zinc/23/92/81/212239281.db2.gz QNHZHKCUOVDBKQ-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487079 242215539 /nfs/dbraw/zinc/21/55/39/242215539.db2.gz SHQGQXFKYRGAPB-WFASDCNBSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487079 242215544 /nfs/dbraw/zinc/21/55/44/242215544.db2.gz SHQGQXFKYRGAPB-WFASDCNBSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCCC[N@@H+](C)C2CC2)c(C)[nH+]1 ZINC000455519596 242224326 /nfs/dbraw/zinc/22/43/26/242224326.db2.gz LYJNIVSZYQZXIV-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCCC[N@H+](C)C2CC2)c(C)[nH+]1 ZINC000455519596 242224328 /nfs/dbraw/zinc/22/43/28/242224328.db2.gz LYJNIVSZYQZXIV-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)[nH+]1 ZINC000455539628 242229135 /nfs/dbraw/zinc/22/91/35/242229135.db2.gz XRRYKIRARCXXMC-XYPWUTKMSA-N 2 2 316.449 3.096 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)[nH+]1 ZINC000455539628 242229138 /nfs/dbraw/zinc/22/91/38/242229138.db2.gz XRRYKIRARCXXMC-XYPWUTKMSA-N 2 2 316.449 3.096 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000246277534 432114591 /nfs/dbraw/zinc/11/45/91/432114591.db2.gz BESDKKJLSKQPSG-BHYGNILZSA-N 2 2 306.450 3.007 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468368480 244038035 /nfs/dbraw/zinc/03/80/35/244038035.db2.gz UIHMEUNQSQYYAS-PXNSSMCTSA-N 2 2 324.468 3.435 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000468368480 244038040 /nfs/dbraw/zinc/03/80/40/244038040.db2.gz UIHMEUNQSQYYAS-PXNSSMCTSA-N 2 2 324.468 3.435 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468431761 244040528 /nfs/dbraw/zinc/04/05/28/244040528.db2.gz ZIBXEJVFNOQBRX-PIKOESSRSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468431761 244040531 /nfs/dbraw/zinc/04/05/31/244040531.db2.gz ZIBXEJVFNOQBRX-PIKOESSRSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468556434 244051873 /nfs/dbraw/zinc/05/18/73/244051873.db2.gz SRESVADIWZNHSE-FXAWDEMLSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468556434 244051879 /nfs/dbraw/zinc/05/18/79/244051879.db2.gz SRESVADIWZNHSE-FXAWDEMLSA-N 2 2 316.489 3.303 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000261793342 203118683 /nfs/dbraw/zinc/11/86/83/203118683.db2.gz QHZJGDCSEHTRPP-SUMWQHHRSA-N 2 2 311.385 3.330 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000470009310 244140379 /nfs/dbraw/zinc/14/03/79/244140379.db2.gz QVADJMXIVSFMEQ-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000470009310 244140383 /nfs/dbraw/zinc/14/03/83/244140383.db2.gz QVADJMXIVSFMEQ-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201291 299399771 /nfs/dbraw/zinc/39/97/71/299399771.db2.gz WUINQMQUYBEKRE-WBTNSWJXSA-N 2 2 302.466 3.132 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201291 299399777 /nfs/dbraw/zinc/39/97/77/299399777.db2.gz WUINQMQUYBEKRE-WBTNSWJXSA-N 2 2 302.466 3.132 20 0 DGADLP CC(C)COC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccco1 ZINC000119078324 284133743 /nfs/dbraw/zinc/13/37/43/284133743.db2.gz RWSZAUGFIKHHJI-QGZVFWFLSA-N 2 2 308.466 3.459 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000119940921 284156661 /nfs/dbraw/zinc/15/66/61/284156661.db2.gz HESIVPDHLABOCL-KRWDZBQOSA-N 2 2 308.853 3.073 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000282340945 216924276 /nfs/dbraw/zinc/92/42/76/216924276.db2.gz VGODMFYUFZCBTM-WBVHZDCISA-N 2 2 317.408 3.306 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093400392 193244480 /nfs/dbraw/zinc/24/44/80/193244480.db2.gz CQPMAVQOZNQUEO-KBPBESRZSA-N 2 2 307.507 3.404 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093400392 193244483 /nfs/dbraw/zinc/24/44/83/193244483.db2.gz CQPMAVQOZNQUEO-KBPBESRZSA-N 2 2 307.507 3.404 20 0 DGADLP CC[N@@H+](Cc1cncs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564622 193270243 /nfs/dbraw/zinc/27/02/43/193270243.db2.gz XGQVJMXGGHDERU-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP CC[N@H+](Cc1cncs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564622 193270245 /nfs/dbraw/zinc/27/02/45/193270245.db2.gz XGQVJMXGGHDERU-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP Cc1ccn2c(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c[nH+]c2c1 ZINC000093615101 193275526 /nfs/dbraw/zinc/27/55/26/193275526.db2.gz RKNGJYPVWMPZAE-SJORKVTESA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2c(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c[nH+]c2c1 ZINC000093615101 193275527 /nfs/dbraw/zinc/27/55/27/193275527.db2.gz RKNGJYPVWMPZAE-SJORKVTESA-N 2 2 312.461 3.090 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)s1 ZINC000093692703 193291180 /nfs/dbraw/zinc/29/11/80/193291180.db2.gz SQFMKWBLMBJQFL-OAHLLOKOSA-N 2 2 324.538 3.153 20 0 DGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)s1 ZINC000093692703 193291183 /nfs/dbraw/zinc/29/11/83/193291183.db2.gz SQFMKWBLMBJQFL-OAHLLOKOSA-N 2 2 324.538 3.153 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000093659870 193284689 /nfs/dbraw/zinc/28/46/89/193284689.db2.gz DYJFARIETGGVCJ-HNNXBMFYSA-N 2 2 324.538 3.296 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000093659870 193284691 /nfs/dbraw/zinc/28/46/91/193284691.db2.gz DYJFARIETGGVCJ-HNNXBMFYSA-N 2 2 324.538 3.296 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000093659870 193284692 /nfs/dbraw/zinc/28/46/92/193284692.db2.gz DYJFARIETGGVCJ-HNNXBMFYSA-N 2 2 324.538 3.296 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000093659870 193284693 /nfs/dbraw/zinc/28/46/93/193284693.db2.gz DYJFARIETGGVCJ-HNNXBMFYSA-N 2 2 324.538 3.296 20 0 DGADLP Cc1[nH]ncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000093844608 193317314 /nfs/dbraw/zinc/31/73/14/193317314.db2.gz MQZKGCYOTKYNBI-HNNXBMFYSA-N 2 2 304.482 3.195 20 0 DGADLP Cc1[nH]ncc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000093844608 193317315 /nfs/dbraw/zinc/31/73/15/193317315.db2.gz MQZKGCYOTKYNBI-HNNXBMFYSA-N 2 2 304.482 3.195 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865845 193320976 /nfs/dbraw/zinc/32/09/76/193320976.db2.gz XYCNQHGYXSOSIN-GOSISDBHSA-N 2 2 320.396 3.125 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865845 193320978 /nfs/dbraw/zinc/32/09/78/193320978.db2.gz XYCNQHGYXSOSIN-GOSISDBHSA-N 2 2 320.396 3.125 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000422903054 296148819 /nfs/dbraw/zinc/14/88/19/296148819.db2.gz NXBOQGDJBXMUEQ-XUJVJEKNSA-N 2 2 316.367 3.419 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000121298598 284193764 /nfs/dbraw/zinc/19/37/64/284193764.db2.gz ZRYGWGSUCLEIJC-KUHUBIRLSA-N 2 2 302.462 3.089 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000121298598 284193766 /nfs/dbraw/zinc/19/37/66/284193766.db2.gz ZRYGWGSUCLEIJC-KUHUBIRLSA-N 2 2 302.462 3.089 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000121298920 284193891 /nfs/dbraw/zinc/19/38/91/284193891.db2.gz ZRYGWGSUCLEIJC-AUUYWEPGSA-N 2 2 302.462 3.089 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000121298920 284193894 /nfs/dbraw/zinc/19/38/94/284193894.db2.gz ZRYGWGSUCLEIJC-AUUYWEPGSA-N 2 2 302.462 3.089 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000486946893 245004259 /nfs/dbraw/zinc/00/42/59/245004259.db2.gz BBBVMJMAFWMPEI-CABCVRRESA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000486946893 245004262 /nfs/dbraw/zinc/00/42/62/245004262.db2.gz BBBVMJMAFWMPEI-CABCVRRESA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1F ZINC000486964072 245005419 /nfs/dbraw/zinc/00/54/19/245005419.db2.gz AOMHTQVQIKISBZ-UHFFFAOYSA-N 2 2 316.420 3.446 20 0 DGADLP CCOc1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1F ZINC000486964072 245005421 /nfs/dbraw/zinc/00/54/21/245005421.db2.gz AOMHTQVQIKISBZ-UHFFFAOYSA-N 2 2 316.420 3.446 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000487272245 245042045 /nfs/dbraw/zinc/04/20/45/245042045.db2.gz LQPLPLMCHJWYMD-LRDDRELGSA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000487272245 245042048 /nfs/dbraw/zinc/04/20/48/245042048.db2.gz LQPLPLMCHJWYMD-LRDDRELGSA-N 2 2 308.853 3.311 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000487270143 245042072 /nfs/dbraw/zinc/04/20/72/245042072.db2.gz FVLMHGJJDVBDAK-BFSLETRISA-N 2 2 307.441 3.349 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000487270143 245042075 /nfs/dbraw/zinc/04/20/75/245042075.db2.gz FVLMHGJJDVBDAK-BFSLETRISA-N 2 2 307.441 3.349 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487574034 245078934 /nfs/dbraw/zinc/07/89/34/245078934.db2.gz ODYCOSHMVOWZBB-BAHPRDJBSA-N 2 2 322.456 3.305 20 0 DGADLP Fc1ccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000488300067 245175227 /nfs/dbraw/zinc/17/52/27/245175227.db2.gz RLYVIJAHXSLCCC-CQSZACIVSA-N 2 2 301.409 3.225 20 0 DGADLP Fc1ccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000488300067 245175228 /nfs/dbraw/zinc/17/52/28/245175228.db2.gz RLYVIJAHXSLCCC-CQSZACIVSA-N 2 2 301.409 3.225 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489806081 245350936 /nfs/dbraw/zinc/35/09/36/245350936.db2.gz YRMBCJNKTBVQNP-UWVAXJGDSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489806081 245350942 /nfs/dbraw/zinc/35/09/42/245350942.db2.gz YRMBCJNKTBVQNP-UWVAXJGDSA-N 2 2 316.489 3.444 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000271704867 209140721 /nfs/dbraw/zinc/14/07/21/209140721.db2.gz NGOSQJLLRDLARW-KGLIPLIRSA-N 2 2 324.440 3.368 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000271704867 209140725 /nfs/dbraw/zinc/14/07/25/209140725.db2.gz NGOSQJLLRDLARW-KGLIPLIRSA-N 2 2 324.440 3.368 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268765426 432128481 /nfs/dbraw/zinc/12/84/81/432128481.db2.gz NOYPBGYKIYLBAC-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268765426 432128470 /nfs/dbraw/zinc/12/84/70/432128470.db2.gz NOYPBGYKIYLBAC-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268765426 432128475 /nfs/dbraw/zinc/12/84/75/432128475.db2.gz NOYPBGYKIYLBAC-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268765426 432128478 /nfs/dbraw/zinc/12/84/78/432128478.db2.gz NOYPBGYKIYLBAC-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2COc3ccccc32)n1-c1ccccc1 ZINC000288468369 220162683 /nfs/dbraw/zinc/16/26/83/220162683.db2.gz FLBNKMCCUSETHH-INIZCTEOSA-N 2 2 319.408 3.447 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCSC2)n1-c1ccccc1 ZINC000288494833 220178154 /nfs/dbraw/zinc/17/81/54/220178154.db2.gz RGXWHSHZUVZTMN-OAHLLOKOSA-N 2 2 301.459 3.414 20 0 DGADLP COC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268783761 432132329 /nfs/dbraw/zinc/13/23/29/432132329.db2.gz BSTWKEKQQRJAOS-AWEZNQCLSA-N 2 2 310.869 3.177 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000494648696 246175945 /nfs/dbraw/zinc/17/59/45/246175945.db2.gz OCEQDORZVUYEGG-AUUYWEPGSA-N 2 2 311.473 3.345 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000494648696 246175949 /nfs/dbraw/zinc/17/59/49/246175949.db2.gz OCEQDORZVUYEGG-AUUYWEPGSA-N 2 2 311.473 3.345 20 0 DGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000494876974 246205090 /nfs/dbraw/zinc/20/50/90/246205090.db2.gz GDQSKPRTLAMTTK-YJBOKZPZSA-N 2 2 317.408 3.170 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931547 246212134 /nfs/dbraw/zinc/21/21/34/246212134.db2.gz AWDVEHMLHOVHMX-MRXNPFEDSA-N 2 2 308.441 3.388 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931547 246212136 /nfs/dbraw/zinc/21/21/36/246212136.db2.gz AWDVEHMLHOVHMX-MRXNPFEDSA-N 2 2 308.441 3.388 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931547 246212142 /nfs/dbraw/zinc/21/21/42/246212142.db2.gz AWDVEHMLHOVHMX-MRXNPFEDSA-N 2 2 308.441 3.388 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931547 246212146 /nfs/dbraw/zinc/21/21/46/246212146.db2.gz AWDVEHMLHOVHMX-MRXNPFEDSA-N 2 2 308.441 3.388 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c2ccccc12 ZINC000495105762 246235001 /nfs/dbraw/zinc/23/50/01/246235001.db2.gz CQDOCKOAPBYTTA-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c2ccccc12 ZINC000495105762 246235006 /nfs/dbraw/zinc/23/50/06/246235006.db2.gz CQDOCKOAPBYTTA-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c2ccccc12 ZINC000495105762 246235010 /nfs/dbraw/zinc/23/50/10/246235010.db2.gz CQDOCKOAPBYTTA-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c2ccccc12 ZINC000495105762 246235015 /nfs/dbraw/zinc/23/50/15/246235015.db2.gz CQDOCKOAPBYTTA-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000494962532 246218019 /nfs/dbraw/zinc/21/80/19/246218019.db2.gz YLOIBXQCFCMYBI-INIZCTEOSA-N 2 2 316.376 3.273 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000494962532 246218020 /nfs/dbraw/zinc/21/80/20/246218020.db2.gz YLOIBXQCFCMYBI-INIZCTEOSA-N 2 2 316.376 3.273 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c[nH+]1 ZINC000495915874 246327299 /nfs/dbraw/zinc/32/72/99/246327299.db2.gz RJQJAVYCXPJRNY-LSDHHAIUSA-N 2 2 321.465 3.214 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c[nH+]1 ZINC000495915872 246327614 /nfs/dbraw/zinc/32/76/14/246327614.db2.gz RJQJAVYCXPJRNY-GJZGRUSLSA-N 2 2 321.465 3.214 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1SC ZINC000268795616 432137025 /nfs/dbraw/zinc/13/70/25/432137025.db2.gz FSHXADGBNZFUIS-CHWSQXEVSA-N 2 2 305.447 3.353 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000268827161 432142232 /nfs/dbraw/zinc/14/22/32/432142232.db2.gz ZGPQWGSPMUGOMD-HOCLYGCPSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268827161 432142237 /nfs/dbraw/zinc/14/22/37/432142237.db2.gz ZGPQWGSPMUGOMD-HOCLYGCPSA-N 2 2 301.459 3.286 20 0 DGADLP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883054 432146546 /nfs/dbraw/zinc/14/65/46/432146546.db2.gz BXNQIZBFMMIBMV-MJGOQNOKSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883054 432146551 /nfs/dbraw/zinc/14/65/51/432146551.db2.gz BXNQIZBFMMIBMV-MJGOQNOKSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000268883054 432146554 /nfs/dbraw/zinc/14/65/54/432146554.db2.gz BXNQIZBFMMIBMV-MJGOQNOKSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000268883054 432146558 /nfs/dbraw/zinc/14/65/58/432146558.db2.gz BXNQIZBFMMIBMV-MJGOQNOKSA-N 2 2 311.429 3.161 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)co2)cc1 ZINC000268902178 432146864 /nfs/dbraw/zinc/14/68/64/432146864.db2.gz FWUYBBOSUYZKJX-RVKKMQEKSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)co2)cc1 ZINC000268902178 432146868 /nfs/dbraw/zinc/14/68/68/432146868.db2.gz FWUYBBOSUYZKJX-RVKKMQEKSA-N 2 2 313.445 3.468 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000037538127 182905778 /nfs/dbraw/zinc/90/57/78/182905778.db2.gz OIOLUHKFDADNTC-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000037538127 182905779 /nfs/dbraw/zinc/90/57/79/182905779.db2.gz OIOLUHKFDADNTC-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000040600199 183108047 /nfs/dbraw/zinc/10/80/47/183108047.db2.gz HMRCMIHYECZELW-ZDUSSCGKSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000040600199 183108049 /nfs/dbraw/zinc/10/80/49/183108049.db2.gz HMRCMIHYECZELW-ZDUSSCGKSA-N 2 2 305.447 3.143 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427552 183269451 /nfs/dbraw/zinc/26/94/51/183269451.db2.gz MSICMDDDFJCHDW-JQWIXIFHSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427552 183269452 /nfs/dbraw/zinc/26/94/52/183269452.db2.gz MSICMDDDFJCHDW-JQWIXIFHSA-N 2 2 315.230 3.147 20 0 DGADLP Brc1ccsc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000043675096 183378228 /nfs/dbraw/zinc/37/82/28/183378228.db2.gz NVKXOMLRKDQJFK-SNVBAGLBSA-N 2 2 315.280 3.085 20 0 DGADLP Brc1ccsc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000043675096 183378230 /nfs/dbraw/zinc/37/82/30/183378230.db2.gz NVKXOMLRKDQJFK-SNVBAGLBSA-N 2 2 315.280 3.085 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccccn1 ZINC000159331279 197345835 /nfs/dbraw/zinc/34/58/35/197345835.db2.gz UANKVBRFHCETDF-QGZVFWFLSA-N 2 2 317.477 3.015 20 0 DGADLP CC(C)c1nc(NCc2ccc(OCC[NH+](C)C)cc2)cc[nH+]1 ZINC000110228589 194317099 /nfs/dbraw/zinc/31/70/99/194317099.db2.gz RPYTWXROVFFCSC-UHFFFAOYSA-N 2 2 314.433 3.153 20 0 DGADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)oc1C ZINC000110535820 194338329 /nfs/dbraw/zinc/33/83/29/194338329.db2.gz HUHFEECDAZPELN-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)(C)C ZINC000271936787 209338832 /nfs/dbraw/zinc/33/88/32/209338832.db2.gz ALEQTKRATYPVBD-AWEZNQCLSA-N 2 2 304.482 3.459 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268998250 207153587 /nfs/dbraw/zinc/15/35/87/207153587.db2.gz KYQNMLATVSVFGH-MNOVXSKESA-N 2 2 304.356 3.418 20 0 DGADLP C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269068459 207216388 /nfs/dbraw/zinc/21/63/88/207216388.db2.gz WLBBWTWHLOAOGT-OAHLLOKOSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014405 184201166 /nfs/dbraw/zinc/20/11/66/184201166.db2.gz ZRWLULACASIVQK-JTQLQIEISA-N 2 2 308.813 3.110 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014405 184201167 /nfs/dbraw/zinc/20/11/67/184201167.db2.gz ZRWLULACASIVQK-JTQLQIEISA-N 2 2 308.813 3.110 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NCc3cccs3)[nH+]c2)CC1 ZINC000269153106 207279219 /nfs/dbraw/zinc/27/92/19/207279219.db2.gz QUPLKUOHGBBSBZ-UHFFFAOYSA-N 2 2 316.474 3.286 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430604515 532969841 /nfs/dbraw/zinc/96/98/41/532969841.db2.gz QLZRQFIRHNCHMV-CYBMUJFWSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430604515 532969845 /nfs/dbraw/zinc/96/98/45/532969845.db2.gz QLZRQFIRHNCHMV-CYBMUJFWSA-N 2 2 316.367 3.158 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000248737689 285021755 /nfs/dbraw/zinc/02/17/55/285021755.db2.gz XRKHKLSWXRZGLS-VNHYZAJKSA-N 2 2 304.482 3.222 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000248737689 285021759 /nfs/dbraw/zinc/02/17/59/285021759.db2.gz XRKHKLSWXRZGLS-VNHYZAJKSA-N 2 2 304.482 3.222 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119906999 195059891 /nfs/dbraw/zinc/05/98/91/195059891.db2.gz FHEZUYLFDPVPAO-IXDOHACOSA-N 2 2 320.477 3.154 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119906999 195059893 /nfs/dbraw/zinc/05/98/93/195059893.db2.gz FHEZUYLFDPVPAO-IXDOHACOSA-N 2 2 320.477 3.154 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000119944286 195067843 /nfs/dbraw/zinc/06/78/43/195067843.db2.gz FRJBIBZROSPDAP-CVEARBPZSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000119944286 195067845 /nfs/dbraw/zinc/06/78/45/195067845.db2.gz FRJBIBZROSPDAP-CVEARBPZSA-N 2 2 314.477 3.488 20 0 DGADLP Cc1cc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc[nH+]1 ZINC000120034243 195083467 /nfs/dbraw/zinc/08/34/67/195083467.db2.gz QHRWQUNTMBSDIZ-UHFFFAOYSA-N 2 2 316.449 3.120 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000270097717 208156012 /nfs/dbraw/zinc/15/60/12/208156012.db2.gz BGRIBYYSYMXQHX-SJORKVTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000270097717 208156018 /nfs/dbraw/zinc/15/60/18/208156018.db2.gz BGRIBYYSYMXQHX-SJORKVTESA-N 2 2 313.445 3.378 20 0 DGADLP CC[C@]1(C)CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871716 253015618 /nfs/dbraw/zinc/01/56/18/253015618.db2.gz NDKHZJWQPOPJKN-VQIMIIECSA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@]1(C)CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871716 253015620 /nfs/dbraw/zinc/01/56/20/253015620.db2.gz NDKHZJWQPOPJKN-VQIMIIECSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cccc2oc(CC[NH2+]Cc3cccc4[nH+]ccn43)nc21 ZINC000337140864 253053036 /nfs/dbraw/zinc/05/30/36/253053036.db2.gz UTJPRTCKKOULHM-UHFFFAOYSA-N 2 2 306.369 3.116 20 0 DGADLP [NH3+][C@H]1C[N@H+](CCCCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337050500 253040901 /nfs/dbraw/zinc/04/09/01/253040901.db2.gz JEQHDKIHBQTGFT-UXHICEINSA-N 2 2 310.441 3.272 20 0 DGADLP [NH3+][C@H]1C[N@@H+](CCCCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337050500 253040904 /nfs/dbraw/zinc/04/09/04/253040904.db2.gz JEQHDKIHBQTGFT-UXHICEINSA-N 2 2 310.441 3.272 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCCC[C@H]3C)c2cc1C ZINC000249727777 285085446 /nfs/dbraw/zinc/08/54/46/285085446.db2.gz RDDPZRVXJLDPRR-KBRIMQKVSA-N 2 2 315.461 3.182 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000337241990 253068331 /nfs/dbraw/zinc/06/83/31/253068331.db2.gz GWYBXDAMRHNGHH-UHFFFAOYSA-N 2 2 324.852 3.029 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000337241990 253068333 /nfs/dbraw/zinc/06/83/33/253068333.db2.gz GWYBXDAMRHNGHH-UHFFFAOYSA-N 2 2 324.852 3.029 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391573 253104405 /nfs/dbraw/zinc/10/44/05/253104405.db2.gz HHCIIWLHBUAFDF-ORAYPTAESA-N 2 2 315.436 3.312 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391573 253104408 /nfs/dbraw/zinc/10/44/08/253104408.db2.gz HHCIIWLHBUAFDF-ORAYPTAESA-N 2 2 315.436 3.312 20 0 DGADLP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427885298 533043671 /nfs/dbraw/zinc/04/36/71/533043671.db2.gz IUABRUWBDLMPOU-ZFWWWQNUSA-N 2 2 301.459 3.141 20 0 DGADLP c1c(CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)[nH+]c2n1CCCC2 ZINC000337344006 253092823 /nfs/dbraw/zinc/09/28/23/253092823.db2.gz STERKFZHHZROQN-AEFFLSMTSA-N 2 2 324.472 3.473 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000337503183 253128919 /nfs/dbraw/zinc/12/89/19/253128919.db2.gz CLIYLRUWRIJVGP-HUUCEWRRSA-N 2 2 301.434 3.290 20 0 DGADLP C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337900295 253191660 /nfs/dbraw/zinc/19/16/60/253191660.db2.gz PKKALKMQTGNLAZ-SUMDDJOVSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337900295 253191662 /nfs/dbraw/zinc/19/16/62/253191662.db2.gz PKKALKMQTGNLAZ-SUMDDJOVSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337900295 253191665 /nfs/dbraw/zinc/19/16/65/253191665.db2.gz PKKALKMQTGNLAZ-SUMDDJOVSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337900295 253191668 /nfs/dbraw/zinc/19/16/68/253191668.db2.gz PKKALKMQTGNLAZ-SUMDDJOVSA-N 2 2 310.445 3.162 20 0 DGADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc[nH+]1 ZINC000337784056 253174946 /nfs/dbraw/zinc/17/49/46/253174946.db2.gz AECANQDGFLRZFB-KRWDZBQOSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc[nH+]1 ZINC000337784056 253174949 /nfs/dbraw/zinc/17/49/49/253174949.db2.gz AECANQDGFLRZFB-KRWDZBQOSA-N 2 2 310.445 3.498 20 0 DGADLP COCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000337949313 253198566 /nfs/dbraw/zinc/19/85/66/253198566.db2.gz OLBWSVFSIUFSRV-QGZVFWFLSA-N 2 2 301.434 3.413 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOC(C)C ZINC000270323795 208395689 /nfs/dbraw/zinc/39/56/89/208395689.db2.gz KOEBMQGGMCANJM-MRXNPFEDSA-N 2 2 301.434 3.234 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOC(C)C ZINC000270323795 208395694 /nfs/dbraw/zinc/39/56/94/208395694.db2.gz KOEBMQGGMCANJM-MRXNPFEDSA-N 2 2 301.434 3.234 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000252710490 285104331 /nfs/dbraw/zinc/10/43/31/285104331.db2.gz GVGDAMYGOPYQFW-ZWNOBZJWSA-N 2 2 318.795 3.371 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000252710490 285104332 /nfs/dbraw/zinc/10/43/32/285104332.db2.gz GVGDAMYGOPYQFW-ZWNOBZJWSA-N 2 2 318.795 3.371 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338313979 253263760 /nfs/dbraw/zinc/26/37/60/253263760.db2.gz IGBSYTSGZXXRGP-SJLPKXTDSA-N 2 2 321.465 3.016 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338313979 253263762 /nfs/dbraw/zinc/26/37/62/253263762.db2.gz IGBSYTSGZXXRGP-SJLPKXTDSA-N 2 2 321.465 3.016 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)[C@@H](C)OC)ccc2n1C1CC1 ZINC000338790201 253351552 /nfs/dbraw/zinc/35/15/52/253351552.db2.gz WSTZXUYDBCYAJA-QWHCGFSZSA-N 2 2 301.434 3.447 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000338963606 253379965 /nfs/dbraw/zinc/37/99/65/253379965.db2.gz FBPFUISXZSSLKC-ZBFHGGJFSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000338963606 253379966 /nfs/dbraw/zinc/37/99/66/253379966.db2.gz FBPFUISXZSSLKC-ZBFHGGJFSA-N 2 2 312.404 3.116 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158718880 197296292 /nfs/dbraw/zinc/29/62/92/197296292.db2.gz LYXZAXWHVDQXFH-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158718880 197296293 /nfs/dbraw/zinc/29/62/93/197296293.db2.gz LYXZAXWHVDQXFH-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158718880 197296295 /nfs/dbraw/zinc/29/62/95/197296295.db2.gz LYXZAXWHVDQXFH-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)CC[C@@H]21 ZINC000158718880 197296297 /nfs/dbraw/zinc/29/62/97/197296297.db2.gz LYXZAXWHVDQXFH-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000120282235 195135885 /nfs/dbraw/zinc/13/58/85/195135885.db2.gz YJYISTWSXPQZJI-UHFFFAOYSA-N 2 2 312.417 3.034 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000120282235 195135889 /nfs/dbraw/zinc/13/58/89/195135889.db2.gz YJYISTWSXPQZJI-UHFFFAOYSA-N 2 2 312.417 3.034 20 0 DGADLP CCC[C@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000342941718 254077740 /nfs/dbraw/zinc/07/77/40/254077740.db2.gz KMQKJWSLXJWNLG-GOSISDBHSA-N 2 2 312.461 3.111 20 0 DGADLP c1sc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756919 254043975 /nfs/dbraw/zinc/04/39/75/254043975.db2.gz UGGRPEBFAFXVSR-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756919 254043978 /nfs/dbraw/zinc/04/39/78/254043978.db2.gz UGGRPEBFAFXVSR-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756919 254043979 /nfs/dbraw/zinc/04/39/79/254043979.db2.gz UGGRPEBFAFXVSR-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756919 254043982 /nfs/dbraw/zinc/04/39/82/254043982.db2.gz UGGRPEBFAFXVSR-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777678 254047858 /nfs/dbraw/zinc/04/78/58/254047858.db2.gz IARKFGDKRSLGGW-ZBFHGGJFSA-N 2 2 304.482 3.079 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777678 254047860 /nfs/dbraw/zinc/04/78/60/254047860.db2.gz IARKFGDKRSLGGW-ZBFHGGJFSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777678 254047862 /nfs/dbraw/zinc/04/78/62/254047862.db2.gz IARKFGDKRSLGGW-ZBFHGGJFSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777678 254047865 /nfs/dbraw/zinc/04/78/65/254047865.db2.gz IARKFGDKRSLGGW-ZBFHGGJFSA-N 2 2 304.482 3.079 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000343105397 254100053 /nfs/dbraw/zinc/10/00/53/254100053.db2.gz YIHAEJKNACYDFF-XLIONFOSSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000343105397 254100056 /nfs/dbraw/zinc/10/00/56/254100056.db2.gz YIHAEJKNACYDFF-XLIONFOSSA-N 2 2 316.489 3.086 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2cccc(F)c2F)C1 ZINC000343770524 254186523 /nfs/dbraw/zinc/18/65/23/254186523.db2.gz QCVOVHZURDJZRK-CQSZACIVSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000343770524 254186525 /nfs/dbraw/zinc/18/65/25/254186525.db2.gz QCVOVHZURDJZRK-CQSZACIVSA-N 2 2 319.399 3.196 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343853415 254196100 /nfs/dbraw/zinc/19/61/00/254196100.db2.gz IAHGFVPWQOATTO-RKDXNWHRSA-N 2 2 304.341 3.098 20 0 DGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000344023581 254214876 /nfs/dbraw/zinc/21/48/76/254214876.db2.gz OOCVLIYZNNHEGV-LSDHHAIUSA-N 2 2 316.445 3.103 20 0 DGADLP C[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344124975 254229116 /nfs/dbraw/zinc/22/91/16/254229116.db2.gz HSWHLAVSOHAJSG-IRXDYDNUSA-N 2 2 301.478 3.462 20 0 DGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000415078288 533129899 /nfs/dbraw/zinc/12/98/99/533129899.db2.gz GKKTWFVOGNTXOV-IEBWSBKVSA-N 2 2 314.404 3.070 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1OC(C)C ZINC000344625934 254290468 /nfs/dbraw/zinc/29/04/68/254290468.db2.gz KHNVTCWVGJYNFD-ZBFHGGJFSA-N 2 2 306.450 3.055 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(C)C ZINC000344625934 254290470 /nfs/dbraw/zinc/29/04/70/254290470.db2.gz KHNVTCWVGJYNFD-ZBFHGGJFSA-N 2 2 306.450 3.055 20 0 DGADLP COC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000345150640 254334179 /nfs/dbraw/zinc/33/41/79/254334179.db2.gz CRNPHXDFQBMXKO-SWLSCSKDSA-N 2 2 318.383 3.323 20 0 DGADLP CCc1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)o1 ZINC000344710236 254298924 /nfs/dbraw/zinc/29/89/24/254298924.db2.gz MNQALHSTPUVQGC-UHFFFAOYSA-N 2 2 320.477 3.214 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCc4cn(C(C)C)nc4C3)c[nH+]c12 ZINC000345005861 254322878 /nfs/dbraw/zinc/32/28/78/254322878.db2.gz CDHWWAABMQPSCX-MRXNPFEDSA-N 2 2 323.444 3.067 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000120343438 195146906 /nfs/dbraw/zinc/14/69/06/195146906.db2.gz UWEDIAIKYJCTBR-QGZVFWFLSA-N 2 2 318.465 3.268 20 0 DGADLP Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156033913 197081949 /nfs/dbraw/zinc/08/19/49/197081949.db2.gz XZYFNSGROGXWPK-CYBMUJFWSA-N 2 2 310.401 3.370 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1nc2ccccc2n1C ZINC000120573293 195193241 /nfs/dbraw/zinc/19/32/41/195193241.db2.gz YQAIERQXYGYYDW-MRXNPFEDSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000120850679 195250044 /nfs/dbraw/zinc/25/00/44/195250044.db2.gz QAMDWYHMEKEGIG-QFBILLFUSA-N 2 2 302.462 3.187 20 0 DGADLP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000120866988 195253175 /nfs/dbraw/zinc/25/31/75/195253175.db2.gz WTFORSSGWFLBFP-UHFFFAOYSA-N 2 2 318.852 3.126 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000289726355 221181148 /nfs/dbraw/zinc/18/11/48/221181148.db2.gz XLUPCPWQFDMOEY-RTBURBONSA-N 2 2 323.440 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000289726355 221181152 /nfs/dbraw/zinc/18/11/52/221181152.db2.gz XLUPCPWQFDMOEY-RTBURBONSA-N 2 2 323.440 3.406 20 0 DGADLP C[C@H](CCCO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000294858101 224269111 /nfs/dbraw/zinc/26/91/11/224269111.db2.gz SSFIDQRIRQILFP-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[nH+]c1 ZINC000121654672 195325389 /nfs/dbraw/zinc/32/53/89/195325389.db2.gz KPCGVGUDAIJPBC-JQHSSLGASA-N 2 2 315.461 3.211 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121723064 195335161 /nfs/dbraw/zinc/33/51/61/195335161.db2.gz HDVUBMGZTARDFK-NVXWUHKLSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121723064 195335163 /nfs/dbraw/zinc/33/51/63/195335163.db2.gz HDVUBMGZTARDFK-NVXWUHKLSA-N 2 2 324.428 3.175 20 0 DGADLP CCC(O)(CC)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000121904691 195372367 /nfs/dbraw/zinc/37/23/67/195372367.db2.gz FUPBTXXWBJGTPY-UHFFFAOYSA-N 2 2 324.896 3.445 20 0 DGADLP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]cc2C)[NH+](C)C)cc1 ZINC000121972048 195384852 /nfs/dbraw/zinc/38/48/52/195384852.db2.gz CSFBDUSJLIPHJS-KRWDZBQOSA-N 2 2 312.417 3.123 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000125541451 195761463 /nfs/dbraw/zinc/76/14/63/195761463.db2.gz CDAQIPNAMKEQTB-LLVKDONJSA-N 2 2 304.406 3.119 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000125541451 195761464 /nfs/dbraw/zinc/76/14/64/195761464.db2.gz CDAQIPNAMKEQTB-LLVKDONJSA-N 2 2 304.406 3.119 20 0 DGADLP CC1CC[NH+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000125594882 195766344 /nfs/dbraw/zinc/76/63/44/195766344.db2.gz YHMSKCBIHHLUHJ-GOSISDBHSA-N 2 2 312.461 3.211 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc2c(c1)CCCC2 ZINC000320924666 533465349 /nfs/dbraw/zinc/46/53/49/533465349.db2.gz XLPBRPMWRACIJQ-CQSZACIVSA-N 2 2 312.461 3.216 20 0 DGADLP CCc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)cc(C)[nH+]1 ZINC000283688507 131013671 /nfs/dbraw/zinc/01/36/71/131013671.db2.gz YNLGPMDPBDBUHX-UHFFFAOYSA-N 2 2 311.433 3.345 20 0 DGADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(C)C ZINC000356829137 285510369 /nfs/dbraw/zinc/51/03/69/285510369.db2.gz CVUQZKLVKGHQIW-MRVWCRGKSA-N 2 2 322.415 3.052 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000357781500 285866101 /nfs/dbraw/zinc/86/61/01/285866101.db2.gz ANMWKXHUDKBYLQ-RHSMWYFYSA-N 2 2 301.434 3.318 20 0 DGADLP COC1([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCCC1 ZINC000421821192 292136389 /nfs/dbraw/zinc/13/63/89/292136389.db2.gz QBACYXIEUURWKO-MRXNPFEDSA-N 2 2 313.445 3.369 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cnc2ccccc2n1)Cc1ccccc1 ZINC000301158700 400100163 /nfs/dbraw/zinc/10/01/63/400100163.db2.gz UCZUWSPTIMNKOO-UHFFFAOYSA-N 2 2 320.440 3.242 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cnc2ccccc2n1)Cc1ccccc1 ZINC000301158700 400100166 /nfs/dbraw/zinc/10/01/66/400100166.db2.gz UCZUWSPTIMNKOO-UHFFFAOYSA-N 2 2 320.440 3.242 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914128 400082432 /nfs/dbraw/zinc/08/24/32/400082432.db2.gz KIJYCVQQTNYQOS-IHPCNDPISA-N 2 2 316.489 3.346 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914128 400082436 /nfs/dbraw/zinc/08/24/36/400082436.db2.gz KIJYCVQQTNYQOS-IHPCNDPISA-N 2 2 316.489 3.346 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959832 400142787 /nfs/dbraw/zinc/14/27/87/400142787.db2.gz NFJQYXXDSKFFJK-APWZRJJASA-N 2 2 321.428 3.152 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959832 400142791 /nfs/dbraw/zinc/14/27/91/400142791.db2.gz NFJQYXXDSKFFJK-APWZRJJASA-N 2 2 321.428 3.152 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)cc1 ZINC000320159502 400163891 /nfs/dbraw/zinc/16/38/91/400163891.db2.gz QFBYJWFFSRJORZ-HIFRSBDPSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)cc1 ZINC000320159502 400163894 /nfs/dbraw/zinc/16/38/94/400163894.db2.gz QFBYJWFFSRJORZ-HIFRSBDPSA-N 2 2 317.820 3.179 20 0 DGADLP CCOc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321698334 400171013 /nfs/dbraw/zinc/17/10/13/400171013.db2.gz SVFUAESTACIXOI-IRXDYDNUSA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccccc1OCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321698334 400171021 /nfs/dbraw/zinc/17/10/21/400171021.db2.gz SVFUAESTACIXOI-IRXDYDNUSA-N 2 2 318.461 3.071 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC000588688159 400222982 /nfs/dbraw/zinc/22/29/82/400222982.db2.gz QLMDTIPIMBUTCU-SFHVURJKSA-N 2 2 324.424 3.015 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC000588688159 400222987 /nfs/dbraw/zinc/22/29/87/400222987.db2.gz QLMDTIPIMBUTCU-SFHVURJKSA-N 2 2 324.424 3.015 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770186 400255461 /nfs/dbraw/zinc/25/54/61/400255461.db2.gz HFUDHKNIRORSJZ-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770186 400255465 /nfs/dbraw/zinc/25/54/65/400255465.db2.gz HFUDHKNIRORSJZ-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770186 400255467 /nfs/dbraw/zinc/25/54/67/400255467.db2.gz HFUDHKNIRORSJZ-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093770186 400255468 /nfs/dbraw/zinc/25/54/68/400255468.db2.gz HFUDHKNIRORSJZ-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770665 400255622 /nfs/dbraw/zinc/25/56/22/400255622.db2.gz OLDGUMBXUFNSNN-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770665 400255625 /nfs/dbraw/zinc/25/56/25/400255625.db2.gz OLDGUMBXUFNSNN-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770665 400255626 /nfs/dbraw/zinc/25/56/26/400255626.db2.gz OLDGUMBXUFNSNN-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000093770665 400255629 /nfs/dbraw/zinc/25/56/29/400255629.db2.gz OLDGUMBXUFNSNN-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cn1 ZINC000092738369 400199880 /nfs/dbraw/zinc/19/98/80/400199880.db2.gz FKUZBUJEFKAPGS-OAHLLOKOSA-N 2 2 324.403 3.359 20 0 DGADLP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CO2 ZINC000093866005 400259509 /nfs/dbraw/zinc/25/95/09/400259509.db2.gz MDDJMSSXBJEAAE-GOSISDBHSA-N 2 2 308.381 3.011 20 0 DGADLP c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CO2 ZINC000093866005 400259513 /nfs/dbraw/zinc/25/95/13/400259513.db2.gz MDDJMSSXBJEAAE-GOSISDBHSA-N 2 2 308.381 3.011 20 0 DGADLP Cc1cccn2cc(CN3CCC[C@@H]3C[NH+]3CCCCC3)[nH+]c12 ZINC000069608006 400336475 /nfs/dbraw/zinc/33/64/75/400336475.db2.gz PRSGDOVUHWPWRQ-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP CCSC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000596653591 400473030 /nfs/dbraw/zinc/47/30/30/400473030.db2.gz VWZLQKONOHBCMS-SJORKVTESA-N 2 2 320.502 3.364 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591868825 400567812 /nfs/dbraw/zinc/56/78/12/400567812.db2.gz GCQOSVXFPOOHFE-CQSZACIVSA-N 2 2 307.344 3.322 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)c[nH+]1 ZINC000591869464 400568232 /nfs/dbraw/zinc/56/82/32/400568232.db2.gz XRWDBUAKAYSSMH-GOSISDBHSA-N 2 2 319.412 3.177 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)c[nH+]1 ZINC000591869464 400568235 /nfs/dbraw/zinc/56/82/35/400568235.db2.gz XRWDBUAKAYSSMH-GOSISDBHSA-N 2 2 319.412 3.177 20 0 DGADLP CCOCCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108698 400634824 /nfs/dbraw/zinc/63/48/24/400634824.db2.gz HIHDAQWNUKGZGD-UHFFFAOYSA-N 2 2 305.466 3.047 20 0 DGADLP CCOCCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108698 400634829 /nfs/dbraw/zinc/63/48/29/400634829.db2.gz HIHDAQWNUKGZGD-UHFFFAOYSA-N 2 2 305.466 3.047 20 0 DGADLP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000597238394 400596653 /nfs/dbraw/zinc/59/66/53/400596653.db2.gz IGDOCKBEDYUNGX-WMZOPIPTSA-N 2 2 304.434 3.034 20 0 DGADLP Fc1ccc(C([NH2+]C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000139231829 400604674 /nfs/dbraw/zinc/60/46/74/400604674.db2.gz WVYPVSOEVZNFJN-UHFFFAOYSA-N 2 2 302.368 3.396 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(CNc3cccc[nH+]3)cc2)C[C@H](C)O1 ZINC000076925978 400680723 /nfs/dbraw/zinc/68/07/23/400680723.db2.gz HSMNZTPKRJGILJ-IYBDPMFKSA-N 2 2 311.429 3.303 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(CNc3cccc[nH+]3)cc2)C[C@H](C)O1 ZINC000076925978 400680727 /nfs/dbraw/zinc/68/07/27/400680727.db2.gz HSMNZTPKRJGILJ-IYBDPMFKSA-N 2 2 311.429 3.303 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)n2c1 ZINC000157395647 400716640 /nfs/dbraw/zinc/71/66/40/400716640.db2.gz CTSIKKDYHLQSOV-MJGOQNOKSA-N 2 2 307.397 3.263 20 0 DGADLP CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154282 400845636 /nfs/dbraw/zinc/84/56/36/400845636.db2.gz GMIVLXSSZRMJCG-ZWKOTPCHSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154282 400845638 /nfs/dbraw/zinc/84/56/38/400845638.db2.gz GMIVLXSSZRMJCG-ZWKOTPCHSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H]([C@@H]1CCCC[NH2+]1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514766 400952284 /nfs/dbraw/zinc/95/22/84/400952284.db2.gz OLPPZDABMCXXCI-XYPHTWIQSA-N 2 2 308.853 3.324 20 0 DGADLP C[C@H]([C@@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514766 400952288 /nfs/dbraw/zinc/95/22/88/400952288.db2.gz OLPPZDABMCXXCI-XYPHTWIQSA-N 2 2 308.853 3.324 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000598963286 400913504 /nfs/dbraw/zinc/91/35/04/400913504.db2.gz CELAYCVQYWJNRL-QWHCGFSZSA-N 2 2 324.490 3.276 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000598963286 400913508 /nfs/dbraw/zinc/91/35/08/400913508.db2.gz CELAYCVQYWJNRL-QWHCGFSZSA-N 2 2 324.490 3.276 20 0 DGADLP Cc1cccn2cc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)[nH+]c12 ZINC000606447674 400914785 /nfs/dbraw/zinc/91/47/85/400914785.db2.gz KLMJBCLJEBHDEL-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc12 ZINC000606447674 400914788 /nfs/dbraw/zinc/91/47/88/400914788.db2.gz KLMJBCLJEBHDEL-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc12 ZINC000606447674 400914789 /nfs/dbraw/zinc/91/47/89/400914789.db2.gz KLMJBCLJEBHDEL-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP COC(=O)CC1CCC([NH2+][C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000599022243 400930085 /nfs/dbraw/zinc/93/00/85/400930085.db2.gz PDCAPHVNAXDIJU-VMWRSERWSA-N 2 2 318.461 3.001 20 0 DGADLP CC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000358160756 285986686 /nfs/dbraw/zinc/98/66/86/285986686.db2.gz WURBFQDLAAVDMC-PBHICJAKSA-N 2 2 310.869 3.492 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000236772105 400981882 /nfs/dbraw/zinc/98/18/82/400981882.db2.gz FSBHDQRCPIWOGP-HZPDHXFCSA-N 2 2 317.477 3.211 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000236772105 400981891 /nfs/dbraw/zinc/98/18/91/400981891.db2.gz FSBHDQRCPIWOGP-HZPDHXFCSA-N 2 2 317.477 3.211 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000599298884 401013593 /nfs/dbraw/zinc/01/35/93/401013593.db2.gz AIAKIXHOQQHNOE-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000599298884 401013597 /nfs/dbraw/zinc/01/35/97/401013597.db2.gz AIAKIXHOQQHNOE-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000599298884 401013602 /nfs/dbraw/zinc/01/36/02/401013602.db2.gz AIAKIXHOQQHNOE-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000599298884 401013607 /nfs/dbraw/zinc/01/36/07/401013607.db2.gz AIAKIXHOQQHNOE-HZPDHXFCSA-N 2 2 312.498 3.016 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000629651149 401017793 /nfs/dbraw/zinc/01/77/93/401017793.db2.gz KIJFXVQIBNUMSZ-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000629651149 401017805 /nfs/dbraw/zinc/01/78/05/401017805.db2.gz KIJFXVQIBNUMSZ-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000629555903 400972576 /nfs/dbraw/zinc/97/25/76/400972576.db2.gz AUVFVTWDBKQECF-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000629555903 400972581 /nfs/dbraw/zinc/97/25/81/400972581.db2.gz AUVFVTWDBKQECF-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561350 400976031 /nfs/dbraw/zinc/97/60/31/400976031.db2.gz HUORLESCPXLIJG-PWSUYJOCSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561350 400976036 /nfs/dbraw/zinc/97/60/36/400976036.db2.gz HUORLESCPXLIJG-PWSUYJOCSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1C(F)(F)F ZINC000629561591 400978468 /nfs/dbraw/zinc/97/84/68/400978468.db2.gz IPSNORDCWKWCDC-HUUCEWRRSA-N 2 2 323.362 3.194 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1C(F)(F)F ZINC000629561591 400978477 /nfs/dbraw/zinc/97/84/77/400978477.db2.gz IPSNORDCWKWCDC-HUUCEWRRSA-N 2 2 323.362 3.194 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2sccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566574 400979472 /nfs/dbraw/zinc/97/94/72/400979472.db2.gz ZRPWCSKZJANKDJ-BDAKNGLRSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2sccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566574 400979478 /nfs/dbraw/zinc/97/94/78/400979478.db2.gz ZRPWCSKZJANKDJ-BDAKNGLRSA-N 2 2 312.788 3.361 20 0 DGADLP c1cc([C@@H]2C[NH2+]CCO2)ccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000629709920 401053639 /nfs/dbraw/zinc/05/36/39/401053639.db2.gz MOLSADZMXUYAKZ-SFHVURJKSA-N 2 2 309.413 3.010 20 0 DGADLP CO[C@H](c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1)[C@H](C)[NH3+] ZINC000629710636 401053890 /nfs/dbraw/zinc/05/38/90/401053890.db2.gz VKXFMWZIWVOPKD-LIRRHRJNSA-N 2 2 311.429 3.384 20 0 DGADLP CC(C)Nc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000629733522 401064770 /nfs/dbraw/zinc/06/47/70/401064770.db2.gz WMIHNFWOIHAYJO-UHFFFAOYSA-N 2 2 311.429 3.401 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@@H]4COCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC000629741965 401071442 /nfs/dbraw/zinc/07/14/42/401071442.db2.gz JTOFVYVFELRTCA-FQEVSTJZSA-N 2 2 319.408 3.259 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656377 401022398 /nfs/dbraw/zinc/02/23/98/401022398.db2.gz NWRFAOCPDHQARG-CHWSQXEVSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656377 401022406 /nfs/dbraw/zinc/02/24/06/401022406.db2.gz NWRFAOCPDHQARG-CHWSQXEVSA-N 2 2 304.331 3.093 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599329363 401022753 /nfs/dbraw/zinc/02/27/53/401022753.db2.gz HMSVVZGOVGEINS-HUUCEWRRSA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599329363 401022761 /nfs/dbraw/zinc/02/27/61/401022761.db2.gz HMSVVZGOVGEINS-HUUCEWRRSA-N 2 2 321.465 3.346 20 0 DGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000629665267 401027172 /nfs/dbraw/zinc/02/71/72/401027172.db2.gz LQGKOUUVIQVPNP-HDICACEKSA-N 2 2 313.470 3.242 20 0 DGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1nc(-c3ccccc3)cs1)C2 ZINC000629665267 401027177 /nfs/dbraw/zinc/02/71/77/401027177.db2.gz LQGKOUUVIQVPNP-HDICACEKSA-N 2 2 313.470 3.242 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000599385806 401039970 /nfs/dbraw/zinc/03/99/70/401039970.db2.gz NQPLXMLLJYQPNY-HZPDHXFCSA-N 2 2 312.498 3.159 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000599385806 401039974 /nfs/dbraw/zinc/03/99/74/401039974.db2.gz NQPLXMLLJYQPNY-HZPDHXFCSA-N 2 2 312.498 3.159 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000599432076 401047916 /nfs/dbraw/zinc/04/79/16/401047916.db2.gz HAKLETJJRZKCLJ-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000599432076 401047921 /nfs/dbraw/zinc/04/79/21/401047921.db2.gz HAKLETJJRZKCLJ-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000599432076 401047927 /nfs/dbraw/zinc/04/79/27/401047927.db2.gz HAKLETJJRZKCLJ-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000599432076 401047934 /nfs/dbraw/zinc/04/79/34/401047934.db2.gz HAKLETJJRZKCLJ-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCc2nccs2)n1-c1ccccc1 ZINC000084044988 401126254 /nfs/dbraw/zinc/12/62/54/401126254.db2.gz XHCVYNCQACKYPF-UHFFFAOYSA-N 2 2 312.442 3.360 20 0 DGADLP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000089122718 401210531 /nfs/dbraw/zinc/21/05/31/401210531.db2.gz BFUOJIFYLNMDDA-UHFFFAOYSA-N 2 2 324.490 3.148 20 0 DGADLP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000089122718 401210539 /nfs/dbraw/zinc/21/05/39/401210539.db2.gz BFUOJIFYLNMDDA-UHFFFAOYSA-N 2 2 324.490 3.148 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621661963 401272081 /nfs/dbraw/zinc/27/20/81/401272081.db2.gz GPZBGNVECQPSGU-AWEZNQCLSA-N 2 2 312.417 3.103 20 0 DGADLP CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090800947 401273837 /nfs/dbraw/zinc/27/38/37/401273837.db2.gz XWGIHEXZWZCPQE-HNNXBMFYSA-N 2 2 301.434 3.322 20 0 DGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047048 401249875 /nfs/dbraw/zinc/24/98/75/401249875.db2.gz NHLAYWUNVZDENJ-DLBZAZTESA-N 2 2 320.477 3.235 20 0 DGADLP CC(C)c1cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000090107508 401258705 /nfs/dbraw/zinc/25/87/05/401258705.db2.gz IZXBLQCGYSXRFO-HOCLYGCPSA-N 2 2 304.482 3.500 20 0 DGADLP CC(C)c1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000090107508 401258708 /nfs/dbraw/zinc/25/87/08/401258708.db2.gz IZXBLQCGYSXRFO-HOCLYGCPSA-N 2 2 304.482 3.500 20 0 DGADLP CC(C)c1cc(N(C)CCCn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000090113243 401259630 /nfs/dbraw/zinc/25/96/30/401259630.db2.gz BPBYPDDSPYXWSV-UHFFFAOYSA-N 2 2 301.438 3.446 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000621732154 401288412 /nfs/dbraw/zinc/28/84/12/401288412.db2.gz QFQVSDSTVBBAAV-MRXNPFEDSA-N 2 2 322.518 3.387 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000621732154 401288415 /nfs/dbraw/zinc/28/84/15/401288415.db2.gz QFQVSDSTVBBAAV-MRXNPFEDSA-N 2 2 322.518 3.387 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000634678160 401331166 /nfs/dbraw/zinc/33/11/66/401331166.db2.gz KTQUWZQWLYDPRY-RBUKOAKNSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000634678160 401331170 /nfs/dbraw/zinc/33/11/70/401331170.db2.gz KTQUWZQWLYDPRY-RBUKOAKNSA-N 2 2 316.489 3.371 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004177 401335073 /nfs/dbraw/zinc/33/50/73/401335073.db2.gz LPNDIPYFRAIXGG-AZUAARDMSA-N 2 2 323.440 3.070 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004177 401335076 /nfs/dbraw/zinc/33/50/76/401335076.db2.gz LPNDIPYFRAIXGG-AZUAARDMSA-N 2 2 323.440 3.070 20 0 DGADLP CC[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062118 401291615 /nfs/dbraw/zinc/29/16/15/401291615.db2.gz IIYLQTYHRKEIEH-UHFFFAOYSA-N 2 2 314.433 3.031 20 0 DGADLP CC[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062118 401291620 /nfs/dbraw/zinc/29/16/20/401291620.db2.gz IIYLQTYHRKEIEH-UHFFFAOYSA-N 2 2 314.433 3.031 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nnc(C)s1 ZINC000626063041 401292104 /nfs/dbraw/zinc/29/21/04/401292104.db2.gz PEHZIPBTJDYKPB-CYBMUJFWSA-N 2 2 318.490 3.491 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nnc(C)s1 ZINC000626063041 401292107 /nfs/dbraw/zinc/29/21/07/401292107.db2.gz PEHZIPBTJDYKPB-CYBMUJFWSA-N 2 2 318.490 3.491 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781827 401299043 /nfs/dbraw/zinc/29/90/43/401299043.db2.gz IYPIITGVNUHDEH-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781827 401299047 /nfs/dbraw/zinc/29/90/47/401299047.db2.gz IYPIITGVNUHDEH-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781940 401299760 /nfs/dbraw/zinc/29/97/60/401299760.db2.gz KHISMXNMKHFIHS-GUYCJALGSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781940 401299762 /nfs/dbraw/zinc/29/97/62/401299762.db2.gz KHISMXNMKHFIHS-GUYCJALGSA-N 2 2 301.821 3.201 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000358371766 286043900 /nfs/dbraw/zinc/04/39/00/286043900.db2.gz AAUFFUIYTPAXKL-INIZCTEOSA-N 2 2 321.428 3.338 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000631038945 401375418 /nfs/dbraw/zinc/37/54/18/401375418.db2.gz PGFOKHWBZVGVTB-UHFFFAOYSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000631065399 401381696 /nfs/dbraw/zinc/38/16/96/401381696.db2.gz RCANRLLGLRPMGG-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000631065399 401381697 /nfs/dbraw/zinc/38/16/97/401381697.db2.gz RCANRLLGLRPMGG-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP CC1(C)C[NH2+]CC[C@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000635010987 401402926 /nfs/dbraw/zinc/40/29/26/401402926.db2.gz LPTJQBJREOAQGY-HOTGVXAUSA-N 2 2 316.424 3.006 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000631148780 401408587 /nfs/dbraw/zinc/40/85/87/401408587.db2.gz ZVGWXZSOCKNDRX-IBGZPJMESA-N 2 2 317.477 3.245 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000631186249 401419895 /nfs/dbraw/zinc/41/98/95/401419895.db2.gz XFMTVAZKSXXEME-UXHICEINSA-N 2 2 319.408 3.492 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2nccc3ccccc32)CC1 ZINC000623089170 401462963 /nfs/dbraw/zinc/46/29/63/401462963.db2.gz XWQPRGYLZQVWNU-UHFFFAOYSA-N 2 2 319.399 3.302 20 0 DGADLP Fc1cccc(F)c1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088542 401463010 /nfs/dbraw/zinc/46/30/10/401463010.db2.gz RNCDLNNIXBAZMV-UHFFFAOYSA-N 2 2 304.331 3.032 20 0 DGADLP Cc1ccc(F)c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623089112 401463136 /nfs/dbraw/zinc/46/31/36/401463136.db2.gz VEVXKELMJKSPCX-UHFFFAOYSA-N 2 2 300.368 3.201 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(c2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000631447574 401472036 /nfs/dbraw/zinc/47/20/36/401472036.db2.gz BRVCTBDFHVXKMC-UHFFFAOYSA-N 2 2 313.449 3.111 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1OC ZINC000631567281 401499558 /nfs/dbraw/zinc/49/95/58/401499558.db2.gz XLDJYBWSSOITIE-ZFWWWQNUSA-N 2 2 303.406 3.030 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC)c1OC ZINC000631570537 401501170 /nfs/dbraw/zinc/50/11/70/401501170.db2.gz RHKUNVZXHSKSKB-ULQDDVLXSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(OC)c1OC ZINC000631570537 401501172 /nfs/dbraw/zinc/50/11/72/401501172.db2.gz RHKUNVZXHSKSKB-ULQDDVLXSA-N 2 2 318.461 3.371 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]c1C ZINC000628163241 401538824 /nfs/dbraw/zinc/53/88/24/401538824.db2.gz VBQBBCPLYOOBRN-QGZVFWFLSA-N 2 2 304.482 3.115 20 0 DGADLP c1[nH]nc2cccc(C[NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)c12 ZINC000623419989 401513283 /nfs/dbraw/zinc/51/32/83/401513283.db2.gz IMIOTHCEGGYPAH-GOSISDBHSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cccc(C[NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)c12 ZINC000623419989 401513285 /nfs/dbraw/zinc/51/32/85/401513285.db2.gz IMIOTHCEGGYPAH-GOSISDBHSA-N 2 2 320.440 3.317 20 0 DGADLP Cc1c[nH]c(CN2CC[NH+](Cc3cccc4ccccc43)CC2)[nH+]1 ZINC000628122858 401529150 /nfs/dbraw/zinc/52/91/50/401529150.db2.gz QFODEFXJRCKYCU-UHFFFAOYSA-N 2 2 320.440 3.189 20 0 DGADLP FC(F)(F)c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000623497048 401532627 /nfs/dbraw/zinc/53/26/27/401532627.db2.gz VJZWJIJFZDCJMU-SNVBAGLBSA-N 2 2 301.337 3.068 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc(C4CC4)o3)C2)CC1 ZINC000628156396 401537664 /nfs/dbraw/zinc/53/76/64/401537664.db2.gz NFEWKOCYIVTFOW-INIZCTEOSA-N 2 2 317.477 3.496 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)o3)C2)CC1 ZINC000628156396 401537666 /nfs/dbraw/zinc/53/76/66/401537666.db2.gz NFEWKOCYIVTFOW-INIZCTEOSA-N 2 2 317.477 3.496 20 0 DGADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628254787 401562169 /nfs/dbraw/zinc/56/21/69/401562169.db2.gz PCSQQVCOAIIINX-INIZCTEOSA-N 2 2 311.429 3.164 20 0 DGADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628254787 401562173 /nfs/dbraw/zinc/56/21/73/401562173.db2.gz PCSQQVCOAIIINX-INIZCTEOSA-N 2 2 311.429 3.164 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000623657207 401563293 /nfs/dbraw/zinc/56/32/93/401563293.db2.gz LFSRARXGYYHAIJ-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000623657207 401563295 /nfs/dbraw/zinc/56/32/95/401563295.db2.gz LFSRARXGYYHAIJ-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP Cc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628263892 401564066 /nfs/dbraw/zinc/56/40/66/401564066.db2.gz RYGYPQIHFHLQEW-OALUTQOASA-N 2 2 316.489 3.143 20 0 DGADLP Cc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628263892 401564068 /nfs/dbraw/zinc/56/40/68/401564068.db2.gz RYGYPQIHFHLQEW-OALUTQOASA-N 2 2 316.489 3.143 20 0 DGADLP Cc1[nH]c(CN(CCCc2ccccc2)CC[NH+](C)C)[nH+]c1C ZINC000628278402 401565915 /nfs/dbraw/zinc/56/59/15/401565915.db2.gz PCDBJELZRUXTAY-UHFFFAOYSA-N 2 2 314.477 3.023 20 0 DGADLP Cc1c[nH]c(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)[nH+]1 ZINC000628186650 401544858 /nfs/dbraw/zinc/54/48/58/401544858.db2.gz RQKPYKFERQNVKG-UHFFFAOYSA-N 2 2 304.482 3.051 20 0 DGADLP Cc1c[nH]c(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190444 401546995 /nfs/dbraw/zinc/54/69/95/401546995.db2.gz GJPCEVRJGBGALX-MOPGFXCFSA-N 2 2 324.472 3.205 20 0 DGADLP Cc1c[nH]c(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190444 401546997 /nfs/dbraw/zinc/54/69/97/401546997.db2.gz GJPCEVRJGBGALX-MOPGFXCFSA-N 2 2 324.472 3.205 20 0 DGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000631833619 401559864 /nfs/dbraw/zinc/55/98/64/401559864.db2.gz DWQUPSOWEOGWFE-HNNXBMFYSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000631833619 401559866 /nfs/dbraw/zinc/55/98/66/401559866.db2.gz DWQUPSOWEOGWFE-HNNXBMFYSA-N 2 2 303.381 3.184 20 0 DGADLP C[C@@H]1C[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C[C@H]1C[NH3+] ZINC000631838003 401560059 /nfs/dbraw/zinc/56/00/59/401560059.db2.gz IDMNUDYVLVVSRG-GHMZBOCLSA-N 2 2 323.412 3.115 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C[C@H]1C[NH3+] ZINC000631838003 401560062 /nfs/dbraw/zinc/56/00/62/401560062.db2.gz IDMNUDYVLVVSRG-GHMZBOCLSA-N 2 2 323.412 3.115 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100840 401626092 /nfs/dbraw/zinc/62/60/92/401626092.db2.gz MSUHWLYKVLDVSB-UKRRQHHQSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100840 401626094 /nfs/dbraw/zinc/62/60/94/401626094.db2.gz MSUHWLYKVLDVSB-UKRRQHHQSA-N 2 2 323.868 3.049 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000624256442 401644296 /nfs/dbraw/zinc/64/42/96/401644296.db2.gz SKTULECONJWOGQ-MRXNPFEDSA-N 2 2 320.452 3.464 20 0 DGADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000624017412 401613997 /nfs/dbraw/zinc/61/39/97/401613997.db2.gz ZSCNMVMSZALYSF-HUUCEWRRSA-N 2 2 305.491 3.232 20 0 DGADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624017412 401613998 /nfs/dbraw/zinc/61/39/98/401613998.db2.gz ZSCNMVMSZALYSF-HUUCEWRRSA-N 2 2 305.491 3.232 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624339748 401653046 /nfs/dbraw/zinc/65/30/46/401653046.db2.gz UDQGATIWKGCDLN-NJAFHUGGSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624339748 401653048 /nfs/dbraw/zinc/65/30/48/401653048.db2.gz UDQGATIWKGCDLN-NJAFHUGGSA-N 2 2 322.880 3.022 20 0 DGADLP CCc1[nH+]ccn1C[C@H]1CCCN1c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000624416474 401658649 /nfs/dbraw/zinc/65/86/49/401658649.db2.gz MMHAJBCAUOYVQE-CQSZACIVSA-N 2 2 324.432 3.003 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC000629396333 401683933 /nfs/dbraw/zinc/68/39/33/401683933.db2.gz KPWSMLCOCGFFNP-KBXCAEBGSA-N 2 2 321.896 3.035 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(Cl)c1 ZINC000629395422 401684006 /nfs/dbraw/zinc/68/40/06/401684006.db2.gz CUKRLNRDXZNKRN-HZSPNIEDSA-N 2 2 323.868 3.096 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000358838950 286165597 /nfs/dbraw/zinc/16/55/97/286165597.db2.gz YWJGYENRHGMPJB-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000358838950 286165599 /nfs/dbraw/zinc/16/55/99/286165599.db2.gz YWJGYENRHGMPJB-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC(C)C ZINC000272661882 286220115 /nfs/dbraw/zinc/22/01/15/286220115.db2.gz RNYDFJJJINZRNM-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC(C)C ZINC000272661882 286220117 /nfs/dbraw/zinc/22/01/17/286220117.db2.gz RNYDFJJJINZRNM-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OC(C)C ZINC000272661882 286220118 /nfs/dbraw/zinc/22/01/18/286220118.db2.gz RNYDFJJJINZRNM-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC(C)C ZINC000272661882 286220120 /nfs/dbraw/zinc/22/01/20/286220120.db2.gz RNYDFJJJINZRNM-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359117269 286241059 /nfs/dbraw/zinc/24/10/59/286241059.db2.gz SHBDEQFVVBZTPE-AFYVEPGGSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359117269 286241061 /nfs/dbraw/zinc/24/10/61/286241061.db2.gz SHBDEQFVVBZTPE-AFYVEPGGSA-N 3 2 319.537 3.246 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccnc1 ZINC000359291882 286276820 /nfs/dbraw/zinc/27/68/20/286276820.db2.gz RIGCPBBYKFSGAW-HXUWFJFHSA-N 2 2 324.472 3.428 20 0 DGADLP CCc1cnccc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000359336251 286287243 /nfs/dbraw/zinc/28/72/43/286287243.db2.gz VRKMPVYYWHHSKW-HNNXBMFYSA-N 2 2 310.445 3.359 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000194008620 292256200 /nfs/dbraw/zinc/25/62/00/292256200.db2.gz HFZQAILUGMBTEJ-FCGDIQPGSA-N 2 2 314.473 3.145 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccs1 ZINC000359582226 286341467 /nfs/dbraw/zinc/34/14/67/286341467.db2.gz DEGWFSJEKWZYMF-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359717189 286366909 /nfs/dbraw/zinc/36/69/09/286366909.db2.gz OBDKZMUIEJYGSK-MCIONIFRSA-N 2 2 310.404 3.196 20 0 DGADLP C[C@H](CCCC(F)(F)F)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359717189 286366910 /nfs/dbraw/zinc/36/69/10/286366910.db2.gz OBDKZMUIEJYGSK-MCIONIFRSA-N 2 2 310.404 3.196 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nccn1-c1ccccc1)CCC2 ZINC000359746326 286373092 /nfs/dbraw/zinc/37/30/92/286373092.db2.gz MJGSRUVWTCHYPH-MRXNPFEDSA-N 2 2 321.428 3.044 20 0 DGADLP COC1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCCC1 ZINC000359964323 286398084 /nfs/dbraw/zinc/39/80/84/286398084.db2.gz SLUZITICRUHTTH-UHFFFAOYSA-N 2 2 301.434 3.434 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360071883 286418752 /nfs/dbraw/zinc/41/87/52/286418752.db2.gz NRWDUWCJFGRYOG-GOSISDBHSA-N 2 2 301.434 3.082 20 0 DGADLP Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000360963693 286563637 /nfs/dbraw/zinc/56/36/37/286563637.db2.gz FOQMBJWHFAGJLM-GOSISDBHSA-N 2 2 310.445 3.092 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361492125 286680115 /nfs/dbraw/zinc/68/01/15/286680115.db2.gz DOFANQRUOPODJW-IBGZPJMESA-N 2 2 321.424 3.220 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000361967053 286752129 /nfs/dbraw/zinc/75/21/29/286752129.db2.gz PLQSWFLJKYHFSR-MJBXVCDLSA-N 2 2 324.440 3.366 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)c1nc2ccccc2n1C)[NH+]1CCCCC1 ZINC000184513462 298441305 /nfs/dbraw/zinc/44/13/05/298441305.db2.gz IFEMNOQQQQIDAR-HZPDHXFCSA-N 2 2 314.477 3.488 20 0 DGADLP Oc1cc(F)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000185490569 165005667 /nfs/dbraw/zinc/00/56/67/165005667.db2.gz BCOUTLZZDPLEHM-UHFFFAOYSA-N 2 2 315.323 3.146 20 0 DGADLP COc1ccc2nc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2c1 ZINC000187074766 165074937 /nfs/dbraw/zinc/07/49/37/165074937.db2.gz YRQQNXMIDYUKBU-CYBMUJFWSA-N 2 2 319.474 3.079 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2c1 ZINC000187074766 165074944 /nfs/dbraw/zinc/07/49/44/165074944.db2.gz YRQQNXMIDYUKBU-CYBMUJFWSA-N 2 2 319.474 3.079 20 0 DGADLP COc1ccc2nc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)sc2c1 ZINC000187074766 165074951 /nfs/dbraw/zinc/07/49/51/165074951.db2.gz YRQQNXMIDYUKBU-CYBMUJFWSA-N 2 2 319.474 3.079 20 0 DGADLP COc1ccc2nc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)sc2c1 ZINC000187074766 165074958 /nfs/dbraw/zinc/07/49/58/165074958.db2.gz YRQQNXMIDYUKBU-CYBMUJFWSA-N 2 2 319.474 3.079 20 0 DGADLP O[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1Cl ZINC000187138338 165079151 /nfs/dbraw/zinc/07/91/51/165079151.db2.gz RKZLYIMLEYETAW-MRXNPFEDSA-N 2 2 323.799 3.046 20 0 DGADLP CCN(C)c1ccc(CNc2[nH+]c3cc(F)ccc3n2C)c[nH+]1 ZINC000191559069 165258946 /nfs/dbraw/zinc/25/89/46/165258946.db2.gz YPXVLTUFUZHIAY-UHFFFAOYSA-N 2 2 313.380 3.176 20 0 DGADLP CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191659000 165262703 /nfs/dbraw/zinc/26/27/03/165262703.db2.gz DZDOXOQNUYOVRV-IBGZPJMESA-N 2 2 313.445 3.245 20 0 DGADLP CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191659000 165262704 /nfs/dbraw/zinc/26/27/04/165262704.db2.gz DZDOXOQNUYOVRV-IBGZPJMESA-N 2 2 313.445 3.245 20 0 DGADLP CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191659015 165263298 /nfs/dbraw/zinc/26/32/98/165263298.db2.gz DZDOXOQNUYOVRV-LJQANCHMSA-N 2 2 313.445 3.245 20 0 DGADLP CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191659015 165263301 /nfs/dbraw/zinc/26/33/01/165263301.db2.gz DZDOXOQNUYOVRV-LJQANCHMSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1ccncc1 ZINC000192141992 165283413 /nfs/dbraw/zinc/28/34/13/165283413.db2.gz HVEUNYHDBPWDEF-UHFFFAOYSA-N 2 2 306.413 3.250 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1ccncc1 ZINC000192141992 165283414 /nfs/dbraw/zinc/28/34/14/165283414.db2.gz HVEUNYHDBPWDEF-UHFFFAOYSA-N 2 2 306.413 3.250 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000230676416 165398954 /nfs/dbraw/zinc/39/89/54/165398954.db2.gz LAAZBPNHKXMLDA-DGCLKSJQSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000230676416 165398959 /nfs/dbraw/zinc/39/89/59/165398959.db2.gz LAAZBPNHKXMLDA-DGCLKSJQSA-N 2 2 302.340 3.158 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000365232051 287112050 /nfs/dbraw/zinc/11/20/50/287112050.db2.gz BICWHHYIUAUOSK-UHFFFAOYSA-N 2 2 311.429 3.183 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000365232051 287112055 /nfs/dbraw/zinc/11/20/55/287112055.db2.gz BICWHHYIUAUOSK-UHFFFAOYSA-N 2 2 311.429 3.183 20 0 DGADLP CC(C)n1nccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000365413385 287129243 /nfs/dbraw/zinc/12/92/43/287129243.db2.gz XTNVPSGQBMLORO-UHFFFAOYSA-N 2 2 304.482 3.208 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000365550458 287144813 /nfs/dbraw/zinc/14/48/13/287144813.db2.gz GYRMQPLKBJRHBY-ZDUSSCGKSA-N 2 2 310.376 3.491 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000365625011 287155318 /nfs/dbraw/zinc/15/53/18/287155318.db2.gz HGSAKZNNAWHARP-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000365625011 287155320 /nfs/dbraw/zinc/15/53/20/287155320.db2.gz HGSAKZNNAWHARP-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP Clc1nccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000365659575 287159496 /nfs/dbraw/zinc/15/94/96/287159496.db2.gz MZOXDVYVJVSKEM-GFCCVEGCSA-N 2 2 311.216 3.422 20 0 DGADLP Cc1cscc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000365874557 287183240 /nfs/dbraw/zinc/18/32/40/287183240.db2.gz DXKKHJLUQRWAQE-RDTXWAMCSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000365874557 287183243 /nfs/dbraw/zinc/18/32/43/287183243.db2.gz DXKKHJLUQRWAQE-RDTXWAMCSA-N 2 2 315.486 3.452 20 0 DGADLP COc1ccc(F)cc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366006324 287198692 /nfs/dbraw/zinc/19/86/92/287198692.db2.gz RQAZEDMDVQWKOK-ZDUSSCGKSA-N 2 2 303.381 3.006 20 0 DGADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000181925910 432151337 /nfs/dbraw/zinc/15/13/37/432151337.db2.gz OHSZFKXSXAUQCF-QGZVFWFLSA-N 2 2 304.409 3.256 20 0 DGADLP C[C@H]1SCC[N@H+](CCC[NH+]2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246879961 432176272 /nfs/dbraw/zinc/17/62/72/432176272.db2.gz FUGZOFBMJSXJPL-TUVASFSCSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[N@@H+](CCC[NH+]2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246879961 432176275 /nfs/dbraw/zinc/17/62/75/432176275.db2.gz FUGZOFBMJSXJPL-TUVASFSCSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@@H+]2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246879961 432176278 /nfs/dbraw/zinc/17/62/78/432176278.db2.gz FUGZOFBMJSXJPL-TUVASFSCSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@H+]2CCS[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246879961 432176280 /nfs/dbraw/zinc/17/62/80/432176280.db2.gz FUGZOFBMJSXJPL-TUVASFSCSA-N 2 2 302.553 3.028 20 0 DGADLP c1c(CC[NH2+]Cc2ccc(OCC3CC3)cc2)[nH+]c2ccccn12 ZINC000190742100 432184852 /nfs/dbraw/zinc/18/48/52/432184852.db2.gz AFCVUJUVMBYTBG-UHFFFAOYSA-N 2 2 321.424 3.455 20 0 DGADLP Cc1ccncc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269591368 432185599 /nfs/dbraw/zinc/18/55/99/432185599.db2.gz IKLDAKBOURTYGS-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccncc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269591368 432185602 /nfs/dbraw/zinc/18/56/02/432185602.db2.gz IKLDAKBOURTYGS-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccncc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000269591368 432185605 /nfs/dbraw/zinc/18/56/05/432185605.db2.gz IKLDAKBOURTYGS-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccncc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000269591368 432185608 /nfs/dbraw/zinc/18/56/08/432185608.db2.gz IKLDAKBOURTYGS-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782012 432191544 /nfs/dbraw/zinc/19/15/44/432191544.db2.gz QWQHGMCFFVGQJR-CQSZACIVSA-N 2 2 310.388 3.206 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782012 432191547 /nfs/dbraw/zinc/19/15/47/432191547.db2.gz QWQHGMCFFVGQJR-CQSZACIVSA-N 2 2 310.388 3.206 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885823 196119622 /nfs/dbraw/zinc/11/96/22/196119622.db2.gz PCPVFDXEPTYOSX-ZDUSSCGKSA-N 2 2 300.368 3.410 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885823 196119624 /nfs/dbraw/zinc/11/96/24/196119624.db2.gz PCPVFDXEPTYOSX-ZDUSSCGKSA-N 2 2 300.368 3.410 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885823 196119625 /nfs/dbraw/zinc/11/96/25/196119625.db2.gz PCPVFDXEPTYOSX-ZDUSSCGKSA-N 2 2 300.368 3.410 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885823 196119627 /nfs/dbraw/zinc/11/96/27/196119627.db2.gz PCPVFDXEPTYOSX-ZDUSSCGKSA-N 2 2 300.368 3.410 20 0 DGADLP CCCCc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000247136076 432205184 /nfs/dbraw/zinc/20/51/84/432205184.db2.gz AVNXWFWOLCZAIG-HOCLYGCPSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000247136076 432205187 /nfs/dbraw/zinc/20/51/87/432205187.db2.gz AVNXWFWOLCZAIG-HOCLYGCPSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000247136076 432205188 /nfs/dbraw/zinc/20/51/88/432205188.db2.gz AVNXWFWOLCZAIG-HOCLYGCPSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000247136076 432205194 /nfs/dbraw/zinc/20/51/94/432205194.db2.gz AVNXWFWOLCZAIG-HOCLYGCPSA-N 2 2 307.507 3.402 20 0 DGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000269881576 432217619 /nfs/dbraw/zinc/21/76/19/432217619.db2.gz SFZBYBREVDIIRC-KRWDZBQOSA-N 2 2 306.400 3.416 20 0 DGADLP c1cn(-c2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)cc2)c[nH+]1 ZINC000172583747 432221363 /nfs/dbraw/zinc/22/13/63/432221363.db2.gz DHRWIMPGFYDZKC-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP c1cn(-c2ccc(CN3CCC[N@H+](C4CCCC4)CC3)cc2)c[nH+]1 ZINC000172583747 432221368 /nfs/dbraw/zinc/22/13/68/432221368.db2.gz DHRWIMPGFYDZKC-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cncs1 ZINC000132162070 196231261 /nfs/dbraw/zinc/23/12/61/196231261.db2.gz RHSOCUDNCPVOQH-CQSZACIVSA-N 2 2 312.442 3.281 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000132791593 196283846 /nfs/dbraw/zinc/28/38/46/196283846.db2.gz QVJWLBGVAFGZPC-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000132791593 196283847 /nfs/dbraw/zinc/28/38/47/196283847.db2.gz QVJWLBGVAFGZPC-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000133090379 196310870 /nfs/dbraw/zinc/31/08/70/196310870.db2.gz KLUIZYKFWHOIOZ-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000422917080 298883159 /nfs/dbraw/zinc/88/31/59/298883159.db2.gz FMBJJBIKHZZVII-FRRDWIJNSA-N 2 2 316.367 3.123 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)c2cnn(CC)c2)[NH+](C)C)cc1 ZINC000133800506 196336233 /nfs/dbraw/zinc/33/62/33/196336233.db2.gz YMIJSFHVVZWSPL-DNVCBOLYSA-N 2 2 314.477 3.419 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295576135 225004812 /nfs/dbraw/zinc/00/48/12/225004812.db2.gz BDEVVLMCJMGULF-RISCZKNCSA-N 2 2 307.850 3.367 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295828714 225284812 /nfs/dbraw/zinc/28/48/12/225284812.db2.gz YKAVMBOXADFQBP-UHFFFAOYSA-N 2 2 307.800 3.432 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295828714 225284817 /nfs/dbraw/zinc/28/48/17/225284817.db2.gz YKAVMBOXADFQBP-UHFFFAOYSA-N 2 2 307.800 3.432 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000154538411 227101052 /nfs/dbraw/zinc/10/10/52/227101052.db2.gz ZJUGVBHHVDJJPI-NXEZZACHSA-N 2 2 303.269 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)s1 ZINC000154538411 227101059 /nfs/dbraw/zinc/10/10/59/227101059.db2.gz ZJUGVBHHVDJJPI-NXEZZACHSA-N 2 2 303.269 3.255 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290898486 222003247 /nfs/dbraw/zinc/00/32/47/222003247.db2.gz NSHDLTAOLQWXSQ-NWDGAFQWSA-N 2 2 302.249 3.351 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000291245763 222254549 /nfs/dbraw/zinc/25/45/49/222254549.db2.gz VKWLFYWSLBZAQB-INIZCTEOSA-N 2 2 322.880 3.321 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NCCC[NH+]3CCCCC3)c2c1 ZINC000301961019 230005131 /nfs/dbraw/zinc/00/51/31/230005131.db2.gz MMHSJTXTLQAXKA-UHFFFAOYSA-N 2 2 314.433 3.235 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000194008603 263805502 /nfs/dbraw/zinc/80/55/02/263805502.db2.gz HFZQAILUGMBTEJ-NCXUSEDFSA-N 2 2 314.473 3.145 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000346294108 264004299 /nfs/dbraw/zinc/00/42/99/264004299.db2.gz JXTGPFSQDXNYEF-ZDUSSCGKSA-N 2 2 310.429 3.279 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000346374078 264021041 /nfs/dbraw/zinc/02/10/41/264021041.db2.gz XAQZQOWCBJCDNK-MRXNPFEDSA-N 2 2 322.880 3.321 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000346471414 264038106 /nfs/dbraw/zinc/03/81/06/264038106.db2.gz XJPYSXPJZANIAT-GOSISDBHSA-N 2 2 310.376 3.187 20 0 DGADLP Cc1cc([C@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000346503814 264043724 /nfs/dbraw/zinc/04/37/24/264043724.db2.gz WLDDIOQZOOOPMJ-IBGZPJMESA-N 2 2 313.420 3.302 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CCO)c2ccco2)CC1 ZINC000346530204 264047572 /nfs/dbraw/zinc/04/75/72/264047572.db2.gz RCKKTHUJXTVPPA-NXHRZFHOSA-N 2 2 320.477 3.336 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC[N@@H+]1C ZINC000346566855 264055804 /nfs/dbraw/zinc/05/58/04/264055804.db2.gz LUXDETXIAYXFNQ-NIKGAXFTSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC[N@H+]1C ZINC000346566855 264055807 /nfs/dbraw/zinc/05/58/07/264055807.db2.gz LUXDETXIAYXFNQ-NIKGAXFTSA-N 2 2 313.420 3.382 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697139 264081584 /nfs/dbraw/zinc/08/15/84/264081584.db2.gz AJQIFRUJWDLVJH-YLQAJVPDSA-N 2 2 308.853 3.242 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697139 264081585 /nfs/dbraw/zinc/08/15/85/264081585.db2.gz AJQIFRUJWDLVJH-YLQAJVPDSA-N 2 2 308.853 3.242 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000346774643 264094633 /nfs/dbraw/zinc/09/46/33/264094633.db2.gz FUTLQBASISUIJO-ZMSDIMECSA-N 2 2 320.477 3.473 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000346774643 264094636 /nfs/dbraw/zinc/09/46/36/264094636.db2.gz FUTLQBASISUIJO-ZMSDIMECSA-N 2 2 320.477 3.473 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784459 264095765 /nfs/dbraw/zinc/09/57/65/264095765.db2.gz BOOMXFDYWQZOOS-ZENOOKHLSA-N 2 2 315.461 3.050 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784459 264095767 /nfs/dbraw/zinc/09/57/67/264095767.db2.gz BOOMXFDYWQZOOS-ZENOOKHLSA-N 2 2 315.461 3.050 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802511 264100399 /nfs/dbraw/zinc/10/03/99/264100399.db2.gz TYDJFNCOBGLNAQ-BPUTZDHNSA-N 2 2 306.450 3.227 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802511 264100401 /nfs/dbraw/zinc/10/04/01/264100401.db2.gz TYDJFNCOBGLNAQ-BPUTZDHNSA-N 2 2 306.450 3.227 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OC(C)C ZINC000347013434 264139680 /nfs/dbraw/zinc/13/96/80/264139680.db2.gz IHEAHGFNHDDLLU-GDBMZVCRSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OC(C)C ZINC000347013434 264139682 /nfs/dbraw/zinc/13/96/82/264139682.db2.gz IHEAHGFNHDDLLU-GDBMZVCRSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000347051852 264148333 /nfs/dbraw/zinc/14/83/33/264148333.db2.gz RNLYFUPKDZHDHH-JTQLQIEISA-N 2 2 303.233 3.173 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000347051852 264148334 /nfs/dbraw/zinc/14/83/34/264148334.db2.gz RNLYFUPKDZHDHH-JTQLQIEISA-N 2 2 303.233 3.173 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064759 264150009 /nfs/dbraw/zinc/15/00/09/264150009.db2.gz XONIJDOEFNHSPE-JKSUJKDBSA-N 2 2 305.466 3.012 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064759 264150011 /nfs/dbraw/zinc/15/00/11/264150011.db2.gz XONIJDOEFNHSPE-JKSUJKDBSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064759 264150014 /nfs/dbraw/zinc/15/00/14/264150014.db2.gz XONIJDOEFNHSPE-JKSUJKDBSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064759 264150015 /nfs/dbraw/zinc/15/00/15/264150015.db2.gz XONIJDOEFNHSPE-JKSUJKDBSA-N 2 2 305.466 3.012 20 0 DGADLP C[N@H+](Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073764 264151614 /nfs/dbraw/zinc/15/16/14/264151614.db2.gz SMPXHWBGAVAIJN-XYPWUTKMSA-N 2 2 317.452 3.141 20 0 DGADLP C[N@@H+](Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073764 264151615 /nfs/dbraw/zinc/15/16/15/264151615.db2.gz SMPXHWBGAVAIJN-XYPWUTKMSA-N 2 2 317.452 3.141 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1OCC(C)C ZINC000347098922 264156795 /nfs/dbraw/zinc/15/67/95/264156795.db2.gz IXRVOWRJBGOITJ-MRXNPFEDSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1OCC(C)C ZINC000347098922 264156797 /nfs/dbraw/zinc/15/67/97/264156797.db2.gz IXRVOWRJBGOITJ-MRXNPFEDSA-N 2 2 306.450 3.043 20 0 DGADLP Cc1[nH+]cc(CN2CCC([NH2+]CC3CC3)CC2)n1-c1ccccc1 ZINC000347114065 264159190 /nfs/dbraw/zinc/15/91/90/264159190.db2.gz RVOHMYQFMPNNQI-UHFFFAOYSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1cc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc(C)c1OC(F)F ZINC000347136003 264163254 /nfs/dbraw/zinc/16/32/54/264163254.db2.gz TUPKZBCXVASJSO-HNNXBMFYSA-N 2 2 310.388 3.231 20 0 DGADLP Cc1cc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc(C)c1OC(F)F ZINC000347136003 264163256 /nfs/dbraw/zinc/16/32/56/264163256.db2.gz TUPKZBCXVASJSO-HNNXBMFYSA-N 2 2 310.388 3.231 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000347141384 264163914 /nfs/dbraw/zinc/16/39/14/264163914.db2.gz WHFUQOADJFIPQV-INIZCTEOSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000347141384 264163915 /nfs/dbraw/zinc/16/39/15/264163915.db2.gz WHFUQOADJFIPQV-INIZCTEOSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+](CCc1cccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000347611625 264252300 /nfs/dbraw/zinc/25/23/00/264252300.db2.gz MRJZPZZIGTWDDG-UHFFFAOYSA-N 2 2 309.504 3.331 20 0 DGADLP CC[N@@H+](CCc1cccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000347611625 264252302 /nfs/dbraw/zinc/25/23/02/264252302.db2.gz MRJZPZZIGTWDDG-UHFFFAOYSA-N 2 2 309.504 3.331 20 0 DGADLP Cc1ccc([C@H]2CSCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347739793 264276411 /nfs/dbraw/zinc/27/64/11/264276411.db2.gz UDRYEUAGBULJNW-QGZVFWFLSA-N 2 2 301.459 3.061 20 0 DGADLP Cc1ccc([C@H]2CSCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347739793 264276413 /nfs/dbraw/zinc/27/64/13/264276413.db2.gz UDRYEUAGBULJNW-QGZVFWFLSA-N 2 2 301.459 3.061 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000347823689 264290434 /nfs/dbraw/zinc/29/04/34/264290434.db2.gz VMFIRRLZDPKBSB-AWEZNQCLSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000347823689 264290436 /nfs/dbraw/zinc/29/04/36/264290436.db2.gz VMFIRRLZDPKBSB-AWEZNQCLSA-N 2 2 319.449 3.333 20 0 DGADLP CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910595 264303842 /nfs/dbraw/zinc/30/38/42/264303842.db2.gz AUQGSNOPSAVCQY-CHWSQXEVSA-N 2 2 313.536 3.311 20 0 DGADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910595 264303843 /nfs/dbraw/zinc/30/38/43/264303843.db2.gz AUQGSNOPSAVCQY-CHWSQXEVSA-N 2 2 313.536 3.311 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000347933590 264309234 /nfs/dbraw/zinc/30/92/34/264309234.db2.gz DZKNCFIENUGJBK-IRXDYDNUSA-N 3 2 303.494 3.280 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(F)cn1 ZINC000348123649 264346152 /nfs/dbraw/zinc/34/61/52/264346152.db2.gz LPAWAKDMOBJNOB-AWEZNQCLSA-N 2 2 311.445 3.389 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000348185806 264359718 /nfs/dbraw/zinc/35/97/18/264359718.db2.gz KTADGSQWYVMRFT-DGCLKSJQSA-N 2 2 305.422 3.410 20 0 DGADLP CCc1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000348186138 264360361 /nfs/dbraw/zinc/36/03/61/264360361.db2.gz MDYKCIGEVPEUJF-QGZVFWFLSA-N 2 2 310.445 3.166 20 0 DGADLP CCc1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000348186138 264360362 /nfs/dbraw/zinc/36/03/62/264360362.db2.gz MDYKCIGEVPEUJF-QGZVFWFLSA-N 2 2 310.445 3.166 20 0 DGADLP CCc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000348254830 264375290 /nfs/dbraw/zinc/37/52/90/264375290.db2.gz GEVPTPSDWNAJDK-APWZRJJASA-N 2 2 313.445 3.407 20 0 DGADLP CCc1cccc(OCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000348254830 264375292 /nfs/dbraw/zinc/37/52/92/264375292.db2.gz GEVPTPSDWNAJDK-APWZRJJASA-N 2 2 313.445 3.407 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccncc1OCC(F)F ZINC000348292136 264384083 /nfs/dbraw/zinc/38/40/83/264384083.db2.gz XXDPPPUXWBPBRW-UHFFFAOYSA-N 2 2 321.371 3.151 20 0 DGADLP C[C@@H]1[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC12CCOCC2 ZINC000351592265 264745146 /nfs/dbraw/zinc/74/51/46/264745146.db2.gz JJVLJFSISOBGJE-AWEZNQCLSA-N 2 2 317.458 3.325 20 0 DGADLP C[C@@H]1[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC12CCOCC2 ZINC000351592265 264745149 /nfs/dbraw/zinc/74/51/49/264745149.db2.gz JJVLJFSISOBGJE-AWEZNQCLSA-N 2 2 317.458 3.325 20 0 DGADLP Cc1cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c(C)s1 ZINC000352321614 265002256 /nfs/dbraw/zinc/00/22/56/265002256.db2.gz ZJGGWNKBMDUNMT-UHFFFAOYSA-N 2 2 301.459 3.391 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000352511416 265074250 /nfs/dbraw/zinc/07/42/50/265074250.db2.gz RYWDDZVSEWBNSC-GFCCVEGCSA-N 2 2 308.376 3.135 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000352511416 265074251 /nfs/dbraw/zinc/07/42/51/265074251.db2.gz RYWDDZVSEWBNSC-GFCCVEGCSA-N 2 2 308.376 3.135 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCC1 ZINC000352518435 265077551 /nfs/dbraw/zinc/07/75/51/265077551.db2.gz IGELEPHYLZBREO-UHFFFAOYSA-N 3 2 312.461 3.213 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCC1 ZINC000352518435 265077555 /nfs/dbraw/zinc/07/75/55/265077555.db2.gz IGELEPHYLZBREO-UHFFFAOYSA-N 3 2 312.461 3.213 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CCCC1 ZINC000352527070 265078952 /nfs/dbraw/zinc/07/89/52/265078952.db2.gz VXJMRQZQJCHTGJ-UHFFFAOYSA-N 3 2 318.490 3.275 20 0 DGADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cn1 ZINC000352555613 265086896 /nfs/dbraw/zinc/08/68/96/265086896.db2.gz PAPORCLIAXBEBQ-HNNXBMFYSA-N 2 2 302.397 3.037 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352697655 265132320 /nfs/dbraw/zinc/13/23/20/265132320.db2.gz FEDNTWHHWVGKKF-MRXNPFEDSA-N 2 2 319.474 3.072 20 0 DGADLP Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352704029 265135930 /nfs/dbraw/zinc/13/59/30/265135930.db2.gz HEFKZGZEZCYIHR-HNNXBMFYSA-N 2 2 317.458 3.127 20 0 DGADLP CC(C)(C)OC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352720253 265140516 /nfs/dbraw/zinc/14/05/16/265140516.db2.gz KJXFMKSBJHVUEM-WWDZGPRUSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)(C)OC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352720253 265140518 /nfs/dbraw/zinc/14/05/18/265140518.db2.gz KJXFMKSBJHVUEM-WWDZGPRUSA-N 2 2 302.462 3.197 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)s1 ZINC000352757546 265154526 /nfs/dbraw/zinc/15/45/26/265154526.db2.gz FUGZRONZZRLEIN-CYBMUJFWSA-N 2 2 323.849 3.081 20 0 DGADLP Cc1csc([C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)n1 ZINC000352761844 265155919 /nfs/dbraw/zinc/15/59/19/265155919.db2.gz ZTXPVNIQDMJODS-AWEZNQCLSA-N 2 2 322.503 3.211 20 0 DGADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1c(C)noc1C ZINC000352760241 265156445 /nfs/dbraw/zinc/15/64/45/265156445.db2.gz AOVIYAYCBDEYAA-CYBMUJFWSA-N 2 2 308.451 3.050 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cn1 ZINC000352795095 265170986 /nfs/dbraw/zinc/17/09/86/265170986.db2.gz JGLAZNXWIXCTNA-ZFWWWQNUSA-N 2 2 302.397 3.344 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000352857702 265200206 /nfs/dbraw/zinc/20/02/06/265200206.db2.gz ZIJCPUBFGQBJAX-UHFFFAOYSA-N 2 2 304.356 3.088 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000352857123 265200690 /nfs/dbraw/zinc/20/06/90/265200690.db2.gz IHPYXVDRWRNAER-PVBCSNIWSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000352857123 265200693 /nfs/dbraw/zinc/20/06/93/265200693.db2.gz IHPYXVDRWRNAER-PVBCSNIWSA-N 2 2 302.462 3.309 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000352930516 265235449 /nfs/dbraw/zinc/23/54/49/265235449.db2.gz SGXLPIZTJMRPQI-IBGZPJMESA-N 2 2 324.403 3.184 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3ccc4n[nH]cc4c3)n2c1 ZINC000353094297 265295020 /nfs/dbraw/zinc/29/50/20/265295020.db2.gz VXBLNJRPRSAZKB-CYBMUJFWSA-N 2 2 305.385 3.370 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000353102076 265298812 /nfs/dbraw/zinc/29/88/12/265298812.db2.gz ZSFQEELSGXJYLK-VBKFSLOCSA-N 2 2 302.462 3.310 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353256634 265363786 /nfs/dbraw/zinc/36/37/86/265363786.db2.gz GZOGPJKNHTXUJF-QGZVFWFLSA-N 2 2 320.477 3.270 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353256634 265363788 /nfs/dbraw/zinc/36/37/88/265363788.db2.gz GZOGPJKNHTXUJF-QGZVFWFLSA-N 2 2 320.477 3.270 20 0 DGADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000353344800 265395519 /nfs/dbraw/zinc/39/55/19/265395519.db2.gz WETDEURWSZWZGT-UHFFFAOYSA-N 2 2 302.418 3.404 20 0 DGADLP CC(C)[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cn1 ZINC000353342336 265395900 /nfs/dbraw/zinc/39/59/00/265395900.db2.gz DDYHGFLFWXQFFX-GOSISDBHSA-N 2 2 316.424 3.283 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453117 265777684 /nfs/dbraw/zinc/77/76/84/265777684.db2.gz UPNUEKICKMJAIG-SZMVWBNQSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453117 265777688 /nfs/dbraw/zinc/77/76/88/265777688.db2.gz UPNUEKICKMJAIG-SZMVWBNQSA-N 2 2 304.478 3.036 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1OC ZINC000354660801 265837893 /nfs/dbraw/zinc/83/78/93/265837893.db2.gz LWOCGQYGAYMAKF-JYYAWHABSA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1OC ZINC000354660801 265837896 /nfs/dbraw/zinc/83/78/96/265837896.db2.gz LWOCGQYGAYMAKF-JYYAWHABSA-N 2 2 320.477 3.268 20 0 DGADLP COCc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000355227852 266007298 /nfs/dbraw/zinc/00/72/98/266007298.db2.gz VMZMTBPOIFGWFT-QGZVFWFLSA-N 2 2 314.429 3.038 20 0 DGADLP COCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000355227852 266007300 /nfs/dbraw/zinc/00/73/00/266007300.db2.gz VMZMTBPOIFGWFT-QGZVFWFLSA-N 2 2 314.429 3.038 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000355359844 266050358 /nfs/dbraw/zinc/05/03/58/266050358.db2.gz CMGJYXGMVBQFAF-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000355359844 266050361 /nfs/dbraw/zinc/05/03/61/266050361.db2.gz CMGJYXGMVBQFAF-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP CC[C@@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000355377696 266056450 /nfs/dbraw/zinc/05/64/50/266056450.db2.gz ZWMJWTUPXKFHES-KRWDZBQOSA-N 2 2 310.445 3.101 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000355478995 266087836 /nfs/dbraw/zinc/08/78/36/266087836.db2.gz YTCXLLMQCXBWFN-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000355478995 266087839 /nfs/dbraw/zinc/08/78/39/266087839.db2.gz YTCXLLMQCXBWFN-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000355521962 266101545 /nfs/dbraw/zinc/10/15/45/266101545.db2.gz ZTURPTPMDJRMAQ-INIZCTEOSA-N 2 2 313.445 3.408 20 0 DGADLP CSC1(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000356169194 266305511 /nfs/dbraw/zinc/30/55/11/266305511.db2.gz QRGDGWNXCUZHQR-UHFFFAOYSA-N 2 2 301.459 3.307 20 0 DGADLP CSC1(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CCC1 ZINC000356175404 266307919 /nfs/dbraw/zinc/30/79/19/266307919.db2.gz KOUIAVQCYVIYKB-UHFFFAOYSA-N 2 2 314.564 3.223 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@]2(C)OCCc3sccc32)c[nH+]1 ZINC000356353923 266364283 /nfs/dbraw/zinc/36/42/83/266364283.db2.gz CPXWBNIOIUMQFM-SFHVURJKSA-N 2 2 316.470 3.462 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000270349842 432234934 /nfs/dbraw/zinc/23/49/34/432234934.db2.gz PQVMOFRHQRGXKZ-QGZVFWFLSA-N 2 2 306.413 3.404 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000270349842 432234938 /nfs/dbraw/zinc/23/49/38/432234938.db2.gz PQVMOFRHQRGXKZ-QGZVFWFLSA-N 2 2 306.413 3.404 20 0 DGADLP C[N@H+](Cc1ccc(CO)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000182876485 432237852 /nfs/dbraw/zinc/23/78/52/432237852.db2.gz QLKMUMQTFIIFBZ-UHFFFAOYSA-N 2 2 324.468 3.275 20 0 DGADLP C[N@@H+](Cc1ccc(CO)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000182876485 432237857 /nfs/dbraw/zinc/23/78/57/432237857.db2.gz QLKMUMQTFIIFBZ-UHFFFAOYSA-N 2 2 324.468 3.275 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1csc(Cl)c1)C[NH+]1CCOCC1 ZINC000191299722 432247199 /nfs/dbraw/zinc/24/71/99/432247199.db2.gz FWKPWCIQODJNHL-NEPJUHHUSA-N 2 2 302.871 3.020 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nccn1C ZINC000182980015 432247665 /nfs/dbraw/zinc/24/76/65/432247665.db2.gz RIKRLYSJGHHYKY-CVEARBPZSA-N 2 2 312.461 3.296 20 0 DGADLP Clc1cnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000367612376 271051479 /nfs/dbraw/zinc/05/14/79/271051479.db2.gz NFPIRMLUQJHPJH-SNVBAGLBSA-N 2 2 311.216 3.491 20 0 DGADLP Clc1cnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000367612376 271051481 /nfs/dbraw/zinc/05/14/81/271051481.db2.gz NFPIRMLUQJHPJH-SNVBAGLBSA-N 2 2 311.216 3.491 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000367675719 271061909 /nfs/dbraw/zinc/06/19/09/271061909.db2.gz ZPTAYNPDFLJJFW-PNYFIKQUSA-N 2 2 316.489 3.210 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000367675719 271061911 /nfs/dbraw/zinc/06/19/11/271061911.db2.gz ZPTAYNPDFLJJFW-PNYFIKQUSA-N 2 2 316.489 3.210 20 0 DGADLP c1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)noc1-c1ccccc1 ZINC000367850562 271085155 /nfs/dbraw/zinc/08/51/55/271085155.db2.gz UWWZPKKIFNKGQR-GOSISDBHSA-N 2 2 321.380 3.390 20 0 DGADLP c1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)noc1-c1ccccc1 ZINC000367850562 271085158 /nfs/dbraw/zinc/08/51/58/271085158.db2.gz UWWZPKKIFNKGQR-GOSISDBHSA-N 2 2 321.380 3.390 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000368132755 271142516 /nfs/dbraw/zinc/14/25/16/271142516.db2.gz GVZOAOCBFNSVJT-KRWDZBQOSA-N 2 2 313.445 3.459 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000368132755 271142520 /nfs/dbraw/zinc/14/25/20/271142520.db2.gz GVZOAOCBFNSVJT-KRWDZBQOSA-N 2 2 313.445 3.459 20 0 DGADLP C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232691 271346588 /nfs/dbraw/zinc/34/65/88/271346588.db2.gz YALKOPATHWSEHE-YJBOKZPZSA-N 2 2 319.412 3.245 20 0 DGADLP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232691 271346592 /nfs/dbraw/zinc/34/65/92/271346592.db2.gz YALKOPATHWSEHE-YJBOKZPZSA-N 2 2 319.412 3.245 20 0 DGADLP Clc1cccc(O[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183075510 432256382 /nfs/dbraw/zinc/25/63/82/432256382.db2.gz GTFZWKKLNZLYEN-MRXNPFEDSA-N 2 2 305.809 3.080 20 0 DGADLP Clc1cccc(O[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183075510 432256388 /nfs/dbraw/zinc/25/63/88/432256388.db2.gz GTFZWKKLNZLYEN-MRXNPFEDSA-N 2 2 305.809 3.080 20 0 DGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000411893956 274086298 /nfs/dbraw/zinc/08/62/98/274086298.db2.gz PJLKDCIBMSNOES-UXHICEINSA-N 2 2 319.408 3.274 20 0 DGADLP COc1ccncc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340409303 274165310 /nfs/dbraw/zinc/16/53/10/274165310.db2.gz UFYPHOIXKJDKOX-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c2cccc(F)c2[nH+]1 ZINC000301668730 274707861 /nfs/dbraw/zinc/70/78/61/274707861.db2.gz MVGUIAUMRCNFHO-UHFFFAOYSA-N 2 2 322.387 3.404 20 0 DGADLP Clc1ccccc1C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000340357467 274884585 /nfs/dbraw/zinc/88/45/85/274884585.db2.gz XXBGDNPXXSIFTM-DOTOQJQBSA-N 2 2 315.848 3.462 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000248021150 432260882 /nfs/dbraw/zinc/26/08/82/432260882.db2.gz NRJKSCUVBJQHNK-SOLBZPMBSA-N 2 2 317.477 3.021 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000248021150 432260886 /nfs/dbraw/zinc/26/08/86/432260886.db2.gz NRJKSCUVBJQHNK-SOLBZPMBSA-N 2 2 317.477 3.021 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000423236537 275746798 /nfs/dbraw/zinc/74/67/98/275746798.db2.gz HNLRQGQOEFMUPJ-ZWKOTPCHSA-N 2 2 312.461 3.284 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883334 276074830 /nfs/dbraw/zinc/07/48/30/276074830.db2.gz JTHGLLUORNCPRE-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883334 276074832 /nfs/dbraw/zinc/07/48/32/276074832.db2.gz JTHGLLUORNCPRE-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883334 276074833 /nfs/dbraw/zinc/07/48/33/276074833.db2.gz JTHGLLUORNCPRE-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000173883334 276074835 /nfs/dbraw/zinc/07/48/35/276074835.db2.gz JTHGLLUORNCPRE-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285569075 276187453 /nfs/dbraw/zinc/18/74/53/276187453.db2.gz HVFCUAHNIZIOGB-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285569075 276187454 /nfs/dbraw/zinc/18/74/54/276187454.db2.gz HVFCUAHNIZIOGB-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)s1 ZINC000422731704 276587723 /nfs/dbraw/zinc/58/77/23/276587723.db2.gz OAUIOFYXSUHBEE-TUAOUCFPSA-N 2 2 302.871 3.209 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000282210274 277237615 /nfs/dbraw/zinc/23/76/15/277237615.db2.gz OJUGIGZOOSWRAX-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000282210274 277237616 /nfs/dbraw/zinc/23/76/16/277237616.db2.gz OJUGIGZOOSWRAX-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415037674 277271329 /nfs/dbraw/zinc/27/13/29/277271329.db2.gz HCHHVAOTRVIQCF-ZIAGYGMSSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415037674 277271330 /nfs/dbraw/zinc/27/13/30/277271330.db2.gz HCHHVAOTRVIQCF-ZIAGYGMSSA-N 2 2 307.507 3.405 20 0 DGADLP C[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423223025 277272723 /nfs/dbraw/zinc/27/27/23/277272723.db2.gz DOPWKVUULHTRFV-CQSZACIVSA-N 2 2 301.459 3.305 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000484152033 278045334 /nfs/dbraw/zinc/04/53/34/278045334.db2.gz NJFOPTLRZGVUAE-DLBZAZTESA-N 2 2 304.478 3.429 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430958940 278054758 /nfs/dbraw/zinc/05/47/58/278054758.db2.gz UXISDQKMDNNCTI-OAHLLOKOSA-N 2 2 317.477 3.153 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430958940 278054759 /nfs/dbraw/zinc/05/47/59/278054759.db2.gz UXISDQKMDNNCTI-OAHLLOKOSA-N 2 2 317.477 3.153 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000423262869 278091250 /nfs/dbraw/zinc/09/12/50/278091250.db2.gz NOJDFUGYHVKFEA-XHDPSFHLSA-N 2 2 311.857 3.302 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21)C[NH+]1CCOCC1 ZINC000153271550 278209733 /nfs/dbraw/zinc/20/97/33/278209733.db2.gz UAUZKOXGJDYZCI-GPMSIDNRSA-N 2 2 302.462 3.183 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000446849827 278215185 /nfs/dbraw/zinc/21/51/85/278215185.db2.gz RHEHKLAWHWILPP-UHFFFAOYSA-N 2 2 308.510 3.437 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000446849827 278215187 /nfs/dbraw/zinc/21/51/87/278215187.db2.gz RHEHKLAWHWILPP-UHFFFAOYSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423358584 278250797 /nfs/dbraw/zinc/25/07/97/278250797.db2.gz BVSQTEWWUMIJMV-ISVAXAHUSA-N 2 2 317.658 3.490 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427619798 278301601 /nfs/dbraw/zinc/30/16/01/278301601.db2.gz ZWUYBXLJYXFXNG-XHDPSFHLSA-N 2 2 324.350 3.353 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173786 278313348 /nfs/dbraw/zinc/31/33/48/278313348.db2.gz RIRUARFTRCKMFD-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173786 278313350 /nfs/dbraw/zinc/31/33/50/278313350.db2.gz RIRUARFTRCKMFD-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1csc(Cl)c1 ZINC000345282133 278349742 /nfs/dbraw/zinc/34/97/42/278349742.db2.gz YPAGULDVYKKFAS-TZMCWYRMSA-N 2 2 316.898 3.145 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2cccc(Br)c21 ZINC000423245588 278919354 /nfs/dbraw/zinc/91/93/54/278919354.db2.gz YRJIKLBIZFELFN-UHIISALHSA-N 2 2 309.251 3.339 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800878 431143862 /nfs/dbraw/zinc/14/38/62/431143862.db2.gz DOIKXRKUXBJIOS-IRXDYDNUSA-N 2 2 309.885 3.017 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800878 431143869 /nfs/dbraw/zinc/14/38/69/431143869.db2.gz DOIKXRKUXBJIOS-IRXDYDNUSA-N 2 2 309.885 3.017 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000422878362 279369567 /nfs/dbraw/zinc/36/95/67/279369567.db2.gz STHPGTQQLAWIKZ-ZMYBRWDISA-N 2 2 320.452 3.414 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423195684 279369658 /nfs/dbraw/zinc/36/96/58/279369658.db2.gz YBUOJWBIYAAKHX-LFVTVUPYSA-N 2 2 322.880 3.333 20 0 DGADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1SC ZINC000069160117 431168352 /nfs/dbraw/zinc/16/83/52/431168352.db2.gz KAXJSQXHSSMGMF-CYBMUJFWSA-N 2 2 305.447 3.040 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802454 431221896 /nfs/dbraw/zinc/22/18/96/431221896.db2.gz VUKWCDUZLIHWPK-JKSUJKDBSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802454 431221903 /nfs/dbraw/zinc/22/19/03/431221903.db2.gz VUKWCDUZLIHWPK-JKSUJKDBSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171723 431243240 /nfs/dbraw/zinc/24/32/40/431243240.db2.gz LYXQGQYNDMMSEJ-RYUDHWBXSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171723 431243245 /nfs/dbraw/zinc/24/32/45/431243245.db2.gz LYXQGQYNDMMSEJ-RYUDHWBXSA-N 2 2 302.340 3.144 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070150024 431243321 /nfs/dbraw/zinc/24/33/21/431243321.db2.gz NSZURRGJTPSTDY-ZDUSSCGKSA-N 2 2 305.447 3.415 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070150024 431243328 /nfs/dbraw/zinc/24/33/28/431243328.db2.gz NSZURRGJTPSTDY-ZDUSSCGKSA-N 2 2 305.447 3.415 20 0 DGADLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000113246791 431334939 /nfs/dbraw/zinc/33/49/39/431334939.db2.gz CIOBLVTZDKPXJA-UHFFFAOYSA-N 2 2 313.449 3.299 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512166 431350200 /nfs/dbraw/zinc/35/02/00/431350200.db2.gz XFSJKIWYDWIWTM-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512166 431350209 /nfs/dbraw/zinc/35/02/09/431350209.db2.gz XFSJKIWYDWIWTM-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+](Cc1noc(C[NH3+])n1)CC(C)C ZINC000261620120 288159749 /nfs/dbraw/zinc/15/97/49/288159749.db2.gz CYEBEQOKMLZJRY-OAHLLOKOSA-N 2 2 302.422 3.138 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+](Cc1noc(C[NH3+])n1)CC(C)C ZINC000261620120 288159754 /nfs/dbraw/zinc/15/97/54/288159754.db2.gz CYEBEQOKMLZJRY-OAHLLOKOSA-N 2 2 302.422 3.138 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000449108081 280184429 /nfs/dbraw/zinc/18/44/29/280184429.db2.gz PMXZIOZOYDBLBV-LJQANCHMSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000077249037 431579263 /nfs/dbraw/zinc/57/92/63/431579263.db2.gz HNZZAJDPLHFEQP-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000077249037 431579269 /nfs/dbraw/zinc/57/92/69/431579269.db2.gz HNZZAJDPLHFEQP-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119134084 431651033 /nfs/dbraw/zinc/65/10/33/431651033.db2.gz HOXBPIYIWNLRFO-MJGOQNOKSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119134084 431651039 /nfs/dbraw/zinc/65/10/39/431651039.db2.gz HOXBPIYIWNLRFO-MJGOQNOKSA-N 2 2 324.472 3.052 20 0 DGADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000422892192 280437187 /nfs/dbraw/zinc/43/71/87/280437187.db2.gz XRSBQEKZOCFKBI-SJLPKXTDSA-N 2 2 312.461 3.109 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119363977 431681371 /nfs/dbraw/zinc/68/13/71/431681371.db2.gz GQNGEPRWIBNOQV-KBXCAEBGSA-N 2 2 324.428 3.032 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119363977 431681376 /nfs/dbraw/zinc/68/13/76/431681376.db2.gz GQNGEPRWIBNOQV-KBXCAEBGSA-N 2 2 324.428 3.032 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380067 431684325 /nfs/dbraw/zinc/68/43/25/431684325.db2.gz KAZFYMVZODCFSS-DOMZBBRYSA-N 2 2 305.397 3.129 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380067 431684329 /nfs/dbraw/zinc/68/43/29/431684329.db2.gz KAZFYMVZODCFSS-DOMZBBRYSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380067 431684333 /nfs/dbraw/zinc/68/43/33/431684333.db2.gz KAZFYMVZODCFSS-DOMZBBRYSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380067 431684339 /nfs/dbraw/zinc/68/43/39/431684339.db2.gz KAZFYMVZODCFSS-DOMZBBRYSA-N 2 2 305.397 3.129 20 0 DGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000121428115 431785263 /nfs/dbraw/zinc/78/52/63/431785263.db2.gz CAPGZUVGIGQHPS-HNNXBMFYSA-N 2 2 304.438 3.166 20 0 DGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000121428115 431785272 /nfs/dbraw/zinc/78/52/72/431785272.db2.gz CAPGZUVGIGQHPS-HNNXBMFYSA-N 2 2 304.438 3.166 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc3cc(C)ccn23)C1 ZINC000122879549 431847042 /nfs/dbraw/zinc/84/70/42/431847042.db2.gz UMZYOFDHKHZIRG-MRXNPFEDSA-N 2 2 323.444 3.239 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc3cc(C)ccn23)C1 ZINC000122879549 431847044 /nfs/dbraw/zinc/84/70/44/431847044.db2.gz UMZYOFDHKHZIRG-MRXNPFEDSA-N 2 2 323.444 3.239 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000037644050 431848994 /nfs/dbraw/zinc/84/89/94/431848994.db2.gz QAWKNNJZKNWWFZ-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000037644050 431848997 /nfs/dbraw/zinc/84/89/97/431848997.db2.gz QAWKNNJZKNWWFZ-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000037644049 431849159 /nfs/dbraw/zinc/84/91/59/431849159.db2.gz QAWKNNJZKNWWFZ-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2Br)C1 ZINC000037644049 431849160 /nfs/dbraw/zinc/84/91/60/431849160.db2.gz QAWKNNJZKNWWFZ-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP CCc1ncc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000037923734 431851283 /nfs/dbraw/zinc/85/12/83/431851283.db2.gz OUDDDZBSCUXFHW-UHFFFAOYSA-N 2 2 303.475 3.317 20 0 DGADLP CCc1ncc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000037923734 431851285 /nfs/dbraw/zinc/85/12/85/431851285.db2.gz OUDDDZBSCUXFHW-UHFFFAOYSA-N 2 2 303.475 3.317 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)s1 ZINC000038002178 431853629 /nfs/dbraw/zinc/85/36/29/431853629.db2.gz QNBRKVPWBNVWCK-JTQLQIEISA-N 2 2 314.252 3.448 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(Br)o1)C[NH+]1CCCCC1 ZINC000038041661 431854630 /nfs/dbraw/zinc/85/46/30/431854630.db2.gz XRSKPNAFDAJFIB-GFCCVEGCSA-N 2 2 315.255 3.254 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000040592851 431858064 /nfs/dbraw/zinc/85/80/64/431858064.db2.gz KTKVZZXLNDURRW-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000040592851 431858067 /nfs/dbraw/zinc/85/80/67/431858067.db2.gz KTKVZZXLNDURRW-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000122328548 431827871 /nfs/dbraw/zinc/82/78/71/431827871.db2.gz UPLOSGWDOMQOEH-ONGXEEELSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000122328548 431827873 /nfs/dbraw/zinc/82/78/73/431827873.db2.gz UPLOSGWDOMQOEH-ONGXEEELSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125004308 431910604 /nfs/dbraw/zinc/91/06/04/431910604.db2.gz ACJYZDPAHZMIEH-DQEVTTJGSA-N 2 2 311.429 3.481 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cnn(C)c2)[NH+]2CCCC2)cc1 ZINC000125004835 431910680 /nfs/dbraw/zinc/91/06/80/431910680.db2.gz BSHCYSXQEAZKPI-LPHOPBHVSA-N 2 2 312.461 3.216 20 0 DGADLP CCc1oc2ccccc2c1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000124272155 431888043 /nfs/dbraw/zinc/88/80/43/431888043.db2.gz DOTWPKMYAZTMEV-HNNXBMFYSA-N 2 2 316.445 3.196 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000090720641 431894346 /nfs/dbraw/zinc/89/43/46/431894346.db2.gz LLIFOMYBUGDUHB-KOLCDFICSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)CC[N@H+]1C ZINC000090720641 431894349 /nfs/dbraw/zinc/89/43/49/431894349.db2.gz LLIFOMYBUGDUHB-KOLCDFICSA-N 2 2 303.269 3.083 20 0 DGADLP FC(F)COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127709423 431978973 /nfs/dbraw/zinc/97/89/73/431978973.db2.gz PLAMABASKBDXOF-UHFFFAOYSA-N 2 2 324.415 3.391 20 0 DGADLP CC1CC[NH+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000125594642 431931075 /nfs/dbraw/zinc/93/10/75/431931075.db2.gz YHMSKCBIHHLUHJ-SFHVURJKSA-N 2 2 312.461 3.211 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)cc1F ZINC000049553812 431941558 /nfs/dbraw/zinc/94/15/58/431941558.db2.gz LDHYDLOESGCVMW-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cn1 ZINC000126339712 431948170 /nfs/dbraw/zinc/94/81/70/431948170.db2.gz IUIFAAVBSGMNSY-GOSISDBHSA-N 2 2 304.397 3.353 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126462863 431950187 /nfs/dbraw/zinc/95/01/87/431950187.db2.gz PILIDLYECIBUKB-CQSZACIVSA-N 2 2 322.412 3.435 20 0 DGADLP C[C@@H]1c2cccn2CC[N@H+]1C/C=C/C[NH+]1CCn2cccc2[C@@H]1C ZINC000051960199 431953150 /nfs/dbraw/zinc/95/31/50/431953150.db2.gz NYPDRKMCZJZHOK-GEWVGOBGSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[N@@H+]1C/C=C/C[NH+]1CCn2cccc2[C@@H]1C ZINC000051960199 431953152 /nfs/dbraw/zinc/95/31/52/431953152.db2.gz NYPDRKMCZJZHOK-GEWVGOBGSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C/C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000051960199 431953154 /nfs/dbraw/zinc/95/31/54/431953154.db2.gz NYPDRKMCZJZHOK-GEWVGOBGSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C/C[N@H+]1CCn2cccc2[C@@H]1C ZINC000051960199 431953156 /nfs/dbraw/zinc/95/31/56/431953156.db2.gz NYPDRKMCZJZHOK-GEWVGOBGSA-N 2 2 324.472 3.299 20 0 DGADLP CCc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000051717507 431953358 /nfs/dbraw/zinc/95/33/58/431953358.db2.gz KSPLICUNYFOKIT-UHFFFAOYSA-N 2 2 301.459 3.464 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126914283 431960451 /nfs/dbraw/zinc/96/04/51/431960451.db2.gz XWDUKTYIUTUNNZ-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126914283 431960453 /nfs/dbraw/zinc/96/04/53/431960453.db2.gz XWDUKTYIUTUNNZ-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248150268 432271354 /nfs/dbraw/zinc/27/13/54/432271354.db2.gz QRRBVPQFPOHYGF-APWZRJJASA-N 2 2 312.461 3.397 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183279141 432278733 /nfs/dbraw/zinc/27/87/33/432278733.db2.gz FTXJVEMSUPCQGT-SFHVURJKSA-N 2 2 315.436 3.488 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000270780418 432288789 /nfs/dbraw/zinc/28/87/89/432288789.db2.gz HEQNUWBMMIRBLF-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000270780418 432288793 /nfs/dbraw/zinc/28/87/93/432288793.db2.gz HEQNUWBMMIRBLF-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000173617837 432289262 /nfs/dbraw/zinc/28/92/62/432289262.db2.gz GUHNUYSHTUZSDP-INIZCTEOSA-N 2 2 317.477 3.093 20 0 DGADLP CCc1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618070 432290253 /nfs/dbraw/zinc/29/02/53/432290253.db2.gz OOQDLMCLJBQJGM-HNNXBMFYSA-N 2 2 317.477 3.038 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191691856 432292427 /nfs/dbraw/zinc/29/24/27/432292427.db2.gz QKVBHOQVRMFOMD-UHFFFAOYSA-N 2 2 323.687 3.348 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@@H](C)C3)c2cc1C ZINC000248553135 432299644 /nfs/dbraw/zinc/29/96/44/432299644.db2.gz JIWSLBIBAKLQAT-PBHICJAKSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@@H](C)C3)c2cc1C ZINC000248553135 432299646 /nfs/dbraw/zinc/29/96/46/432299646.db2.gz JIWSLBIBAKLQAT-PBHICJAKSA-N 2 2 315.461 3.136 20 0 DGADLP CSCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248543345 432299785 /nfs/dbraw/zinc/29/97/85/432299785.db2.gz CZNDBHWTMNLHQT-SJLPKXTDSA-N 2 2 321.534 3.415 20 0 DGADLP CSCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248543345 432299789 /nfs/dbraw/zinc/29/97/89/432299789.db2.gz CZNDBHWTMNLHQT-SJLPKXTDSA-N 2 2 321.534 3.415 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OC)c1OC ZINC000270610853 432262873 /nfs/dbraw/zinc/26/28/73/432262873.db2.gz NJKDGZGJNPOOLK-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OC)c1OC ZINC000270610853 432262877 /nfs/dbraw/zinc/26/28/77/432262877.db2.gz NJKDGZGJNPOOLK-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccc(Br)cc1 ZINC000183176477 432265451 /nfs/dbraw/zinc/26/54/51/432265451.db2.gz CYUSXMVATIJJOW-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc(Br)cc1 ZINC000183176477 432265455 /nfs/dbraw/zinc/26/54/55/432265455.db2.gz CYUSXMVATIJJOW-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000191476332 432268392 /nfs/dbraw/zinc/26/83/92/432268392.db2.gz WMXSEAXDOMTZEA-KRWDZBQOSA-N 2 2 318.461 3.327 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000191476332 432268396 /nfs/dbraw/zinc/26/83/96/432268396.db2.gz WMXSEAXDOMTZEA-KRWDZBQOSA-N 2 2 318.461 3.327 20 0 DGADLP COCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000271023237 432316870 /nfs/dbraw/zinc/31/68/70/432316870.db2.gz CFMOAHJLTDOVOT-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248803932 432319697 /nfs/dbraw/zinc/31/96/97/432319697.db2.gz AVQAAPNBVWRFFH-CXAGYDPISA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248803932 432319700 /nfs/dbraw/zinc/31/97/00/432319700.db2.gz AVQAAPNBVWRFFH-CXAGYDPISA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248803932 432319704 /nfs/dbraw/zinc/31/97/04/432319704.db2.gz AVQAAPNBVWRFFH-CXAGYDPISA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248803932 432319708 /nfs/dbraw/zinc/31/97/08/432319708.db2.gz AVQAAPNBVWRFFH-CXAGYDPISA-N 2 2 308.853 3.265 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc3c2OCCCO3)CC1 ZINC000271052332 432322445 /nfs/dbraw/zinc/32/24/45/432322445.db2.gz WUERBSFMYVZKTF-UHFFFAOYSA-N 2 2 318.461 3.153 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3c2OCCCO3)CC1 ZINC000271052332 432322450 /nfs/dbraw/zinc/32/24/50/432322450.db2.gz WUERBSFMYVZKTF-UHFFFAOYSA-N 2 2 318.461 3.153 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2c[nH+]c3c(C)cccn23)c1C ZINC000183784536 432325399 /nfs/dbraw/zinc/32/53/99/432325399.db2.gz WZXIRBNQEQMOMG-UHFFFAOYSA-N 2 2 324.428 3.295 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175210 432342369 /nfs/dbraw/zinc/34/23/69/432342369.db2.gz UXTQTKVHDBEINT-RDJZCZTQSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175210 432342373 /nfs/dbraw/zinc/34/23/73/432342373.db2.gz UXTQTKVHDBEINT-RDJZCZTQSA-N 2 2 315.486 3.358 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000249265228 432343133 /nfs/dbraw/zinc/34/31/33/432343133.db2.gz IDWAGJMXYWHVFY-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000249265228 432343136 /nfs/dbraw/zinc/34/31/36/432343136.db2.gz IDWAGJMXYWHVFY-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000249265228 432343139 /nfs/dbraw/zinc/34/31/39/432343139.db2.gz IDWAGJMXYWHVFY-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000249265228 432343141 /nfs/dbraw/zinc/34/31/41/432343141.db2.gz IDWAGJMXYWHVFY-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000271174279 432344564 /nfs/dbraw/zinc/34/45/64/432344564.db2.gz GPYHXXPZOLDOLV-QGZVFWFLSA-N 2 2 323.444 3.226 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000271174279 432344569 /nfs/dbraw/zinc/34/45/69/432344569.db2.gz GPYHXXPZOLDOLV-QGZVFWFLSA-N 2 2 323.444 3.226 20 0 DGADLP CC[NH+](CC)C[C@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000271184627 432346043 /nfs/dbraw/zinc/34/60/43/432346043.db2.gz LVHOMGZLXUEFHY-CQSZACIVSA-N 2 2 320.868 3.151 20 0 DGADLP CCCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834813 432307058 /nfs/dbraw/zinc/30/70/58/432307058.db2.gz WUYAVQLLXNZXCW-MJGOQNOKSA-N 2 2 304.478 3.446 20 0 DGADLP CCCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834813 432307063 /nfs/dbraw/zinc/30/70/63/432307063.db2.gz WUYAVQLLXNZXCW-MJGOQNOKSA-N 2 2 304.478 3.446 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000174540012 432354692 /nfs/dbraw/zinc/35/46/92/432354692.db2.gz MEQOHQRJDVKERU-KSZLIROESA-N 2 2 311.429 3.166 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835724 432308624 /nfs/dbraw/zinc/30/86/24/432308624.db2.gz UVXIBWFNIULTEP-PXNSSMCTSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835724 432308629 /nfs/dbraw/zinc/30/86/29/432308629.db2.gz UVXIBWFNIULTEP-PXNSSMCTSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839703 432308743 /nfs/dbraw/zinc/30/87/43/432308743.db2.gz WGCXBCRWSSLGEH-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839703 432308746 /nfs/dbraw/zinc/30/87/46/432308746.db2.gz WGCXBCRWSSLGEH-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C2 ZINC000192438990 432373472 /nfs/dbraw/zinc/37/34/72/432373472.db2.gz CQGPUMFQLWCXHD-NVXWUHKLSA-N 2 2 302.462 3.017 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192560479 432387111 /nfs/dbraw/zinc/38/71/11/432387111.db2.gz GXFCUPARJILYQZ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192560479 432387114 /nfs/dbraw/zinc/38/71/14/432387114.db2.gz GXFCUPARJILYQZ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153193218 432390717 /nfs/dbraw/zinc/39/07/17/432390717.db2.gz UPOLFULUKVNALL-CVEARBPZSA-N 2 2 322.518 3.418 20 0 DGADLP CCN(CC)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152811959 432357998 /nfs/dbraw/zinc/35/79/98/432357998.db2.gz OEOUVEYAOCTJBI-OAHLLOKOSA-N 2 2 300.450 3.173 20 0 DGADLP CC[NH+](CC)CCN[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152811959 432358002 /nfs/dbraw/zinc/35/80/02/432358002.db2.gz OEOUVEYAOCTJBI-OAHLLOKOSA-N 2 2 300.450 3.173 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000271301883 432371590 /nfs/dbraw/zinc/37/15/90/432371590.db2.gz OXECZCSZEKRPQO-MAUKXSAKSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000271301883 432371594 /nfs/dbraw/zinc/37/15/94/432371594.db2.gz OXECZCSZEKRPQO-MAUKXSAKSA-N 2 2 313.449 3.278 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261618426 432435873 /nfs/dbraw/zinc/43/58/73/432435873.db2.gz DBDLCIYFJLZCKH-QGZVFWFLSA-N 2 2 316.474 3.366 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261618426 432435875 /nfs/dbraw/zinc/43/58/75/432435875.db2.gz DBDLCIYFJLZCKH-QGZVFWFLSA-N 2 2 316.474 3.366 20 0 DGADLP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)C1CC[NH2+]CC1 ZINC000261804391 432453203 /nfs/dbraw/zinc/45/32/03/432453203.db2.gz ZAZSLEBUHOSVHM-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)C1CC[NH2+]CC1 ZINC000261804391 432453207 /nfs/dbraw/zinc/45/32/07/432453207.db2.gz ZAZSLEBUHOSVHM-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000153889844 432454070 /nfs/dbraw/zinc/45/40/70/432454070.db2.gz LCYUVJHYGZCOSP-HXUWFJFHSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000153889844 432454077 /nfs/dbraw/zinc/45/40/77/432454077.db2.gz LCYUVJHYGZCOSP-HXUWFJFHSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000153889844 432454080 /nfs/dbraw/zinc/45/40/80/432454080.db2.gz LCYUVJHYGZCOSP-HXUWFJFHSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000153889844 432454081 /nfs/dbraw/zinc/45/40/81/432454081.db2.gz LCYUVJHYGZCOSP-HXUWFJFHSA-N 2 2 309.457 3.344 20 0 DGADLP [NH3+]C1(c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)CCCC1 ZINC000261862801 432455828 /nfs/dbraw/zinc/45/58/28/432455828.db2.gz UMWYABNCAXKRFA-VMPITWQZSA-N 2 2 321.384 3.154 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccnn1C ZINC000192872654 432424061 /nfs/dbraw/zinc/42/40/61/432424061.db2.gz YGYWXRPROCQAOF-HOTGVXAUSA-N 2 2 312.461 3.296 20 0 DGADLP Cc1ccc(C)c(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000262115780 432474508 /nfs/dbraw/zinc/47/45/08/432474508.db2.gz KDCQHOLXSUGTMZ-UHFFFAOYSA-N 2 2 302.462 3.146 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]Cc1c[nH+]c2c(C)cccn12)C(C)C ZINC000185236378 432481175 /nfs/dbraw/zinc/48/11/75/432481175.db2.gz NVTVMWLOPMLKSQ-GOSISDBHSA-N 2 2 317.433 3.100 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)co2)cc1 ZINC000262409414 432484225 /nfs/dbraw/zinc/48/42/25/432484225.db2.gz CZLXVNITFPEATG-CZUORRHYSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)co2)cc1 ZINC000262409414 432484229 /nfs/dbraw/zinc/48/42/29/432484229.db2.gz CZLXVNITFPEATG-CZUORRHYSA-N 2 2 317.820 3.179 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000154245700 432485338 /nfs/dbraw/zinc/48/53/38/432485338.db2.gz AXAVDCXGFVOMGX-SWLSCSKDSA-N 2 2 319.276 3.347 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000262449781 432485471 /nfs/dbraw/zinc/48/54/71/432485471.db2.gz HQGPBLUAXRWSAX-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000262449781 432485474 /nfs/dbraw/zinc/48/54/74/432485474.db2.gz HQGPBLUAXRWSAX-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000262513197 432489104 /nfs/dbraw/zinc/48/91/04/432489104.db2.gz NBVGCEFLWWLJDI-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000262513197 432489106 /nfs/dbraw/zinc/48/91/06/432489106.db2.gz NBVGCEFLWWLJDI-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272387089 432492352 /nfs/dbraw/zinc/49/23/52/432492352.db2.gz GFZBFUDRNMXLLG-AFYVEPGGSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387089 432492354 /nfs/dbraw/zinc/49/23/54/432492354.db2.gz GFZBFUDRNMXLLG-AFYVEPGGSA-N 3 2 315.505 3.112 20 0 DGADLP CC(C)(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCCC1 ZINC000193941576 432510289 /nfs/dbraw/zinc/51/02/89/432510289.db2.gz YBLPISAPECGHEE-IXDOHACOSA-N 2 2 306.494 3.188 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000185545695 432510651 /nfs/dbraw/zinc/51/06/51/432510651.db2.gz MKQSSEYRRCJWKI-UHFFFAOYSA-N 2 2 313.376 3.140 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@H]1c1ccccc1 ZINC000261911401 432460080 /nfs/dbraw/zinc/46/00/80/432460080.db2.gz HQQCRYRNBLQSBP-DLBZAZTESA-N 2 2 318.367 3.215 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]1c1ccccc1 ZINC000261911401 432460083 /nfs/dbraw/zinc/46/00/83/432460083.db2.gz HQQCRYRNBLQSBP-DLBZAZTESA-N 2 2 318.367 3.215 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261935968 432462511 /nfs/dbraw/zinc/46/25/11/432462511.db2.gz MCCVLCXLMVIPGI-ZDUSSCGKSA-N 2 2 323.278 3.115 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261935968 432462514 /nfs/dbraw/zinc/46/25/14/432462514.db2.gz MCCVLCXLMVIPGI-ZDUSSCGKSA-N 2 2 323.278 3.115 20 0 DGADLP COC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000193280047 432464007 /nfs/dbraw/zinc/46/40/07/432464007.db2.gz DVKZGBYPUZFCPG-MRXNPFEDSA-N 2 2 315.804 3.465 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000261971991 432464873 /nfs/dbraw/zinc/46/48/73/432464873.db2.gz QGQLFUBDDPDFMG-AWEZNQCLSA-N 2 2 324.852 3.205 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000261971991 432464878 /nfs/dbraw/zinc/46/48/78/432464878.db2.gz QGQLFUBDDPDFMG-AWEZNQCLSA-N 2 2 324.852 3.205 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000261971992 432464913 /nfs/dbraw/zinc/46/49/13/432464913.db2.gz QGQLFUBDDPDFMG-CQSZACIVSA-N 2 2 324.852 3.205 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000261971992 432464917 /nfs/dbraw/zinc/46/49/17/432464917.db2.gz QGQLFUBDDPDFMG-CQSZACIVSA-N 2 2 324.852 3.205 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000262026128 432469160 /nfs/dbraw/zinc/46/91/60/432469160.db2.gz YGVCYPCJFPEMTD-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000262026128 432469163 /nfs/dbraw/zinc/46/91/63/432469163.db2.gz YGVCYPCJFPEMTD-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP C[C@@H]([NH2+]Cc1nccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272251804 432470447 /nfs/dbraw/zinc/47/04/47/432470447.db2.gz YNTBUABLEMJAOD-ZBFHGGJFSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]([NH2+]Cc1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272251804 432470450 /nfs/dbraw/zinc/47/04/50/432470450.db2.gz YNTBUABLEMJAOD-ZBFHGGJFSA-N 2 2 301.459 3.143 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000262037866 432470628 /nfs/dbraw/zinc/47/06/28/432470628.db2.gz ZZAMUEYORWQVJH-INIZCTEOSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000262037866 432470633 /nfs/dbraw/zinc/47/06/33/432470633.db2.gz ZZAMUEYORWQVJH-INIZCTEOSA-N 2 2 303.381 3.184 20 0 DGADLP Fc1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262042230 432470713 /nfs/dbraw/zinc/47/07/13/432470713.db2.gz PICNYQQYFZTZGJ-KRWDZBQOSA-N 2 2 317.433 3.135 20 0 DGADLP Fc1ccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262042230 432470720 /nfs/dbraw/zinc/47/07/20/432470720.db2.gz PICNYQQYFZTZGJ-KRWDZBQOSA-N 2 2 317.433 3.135 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000176748229 432548801 /nfs/dbraw/zinc/54/88/01/432548801.db2.gz FWGJJFQEQUNKRJ-CRAIPNDOSA-N 2 2 320.477 3.382 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000186100647 432559346 /nfs/dbraw/zinc/55/93/46/432559346.db2.gz RHVAPPRMRPWURV-GFCCVEGCSA-N 2 2 301.415 3.298 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272518091 432515741 /nfs/dbraw/zinc/51/57/41/432515741.db2.gz KZGGIXUOMFOWTK-QGZVFWFLSA-N 2 2 324.472 3.105 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272518091 432515746 /nfs/dbraw/zinc/51/57/46/432515746.db2.gz KZGGIXUOMFOWTK-QGZVFWFLSA-N 2 2 324.472 3.105 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000176393698 432518693 /nfs/dbraw/zinc/51/86/93/432518693.db2.gz SMLQLEHDLQXUOX-MRXNPFEDSA-N 2 2 301.434 3.280 20 0 DGADLP COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)o1 ZINC000185675868 432523035 /nfs/dbraw/zinc/52/30/35/432523035.db2.gz XXOZJIKYAGLGNR-MRXNPFEDSA-N 2 2 311.385 3.411 20 0 DGADLP COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)o1 ZINC000185675868 432523038 /nfs/dbraw/zinc/52/30/38/432523038.db2.gz XXOZJIKYAGLGNR-MRXNPFEDSA-N 2 2 311.385 3.411 20 0 DGADLP Cn1cc(CC[NH2+]Cc2cccc3[nH+]ccn32)c2ccc(F)cc21 ZINC000185749163 432529818 /nfs/dbraw/zinc/52/98/18/432529818.db2.gz BTTMCXAIOSSJET-UHFFFAOYSA-N 2 2 322.387 3.297 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000186573605 432608684 /nfs/dbraw/zinc/60/86/84/432608684.db2.gz KHEUYPWTERRJMO-IHPCNDPISA-N 2 2 317.521 3.215 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000186573605 432608686 /nfs/dbraw/zinc/60/86/86/432608686.db2.gz KHEUYPWTERRJMO-IHPCNDPISA-N 2 2 317.521 3.215 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC(F)F)c1 ZINC000177309219 432610973 /nfs/dbraw/zinc/61/09/73/432610973.db2.gz UQQZUEBKXRBQAR-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC(F)F)c1 ZINC000177309219 432610977 /nfs/dbraw/zinc/61/09/77/432610977.db2.gz UQQZUEBKXRBQAR-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(F)F)c1 ZINC000177309219 432610979 /nfs/dbraw/zinc/61/09/79/432610979.db2.gz UQQZUEBKXRBQAR-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(F)F)c1 ZINC000177309219 432610982 /nfs/dbraw/zinc/61/09/82/432610982.db2.gz UQQZUEBKXRBQAR-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)Cn1cc[nH+]c1 ZINC000186609480 432613229 /nfs/dbraw/zinc/61/32/29/432613229.db2.gz IPQRADKOEDBQCK-IYXRBSQSSA-N 2 2 303.372 3.478 20 0 DGADLP Cc1nc(N2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000194677869 432566939 /nfs/dbraw/zinc/56/69/39/432566939.db2.gz HZNPTZYMEJMIBC-MRXNPFEDSA-N 2 2 310.445 3.101 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186221070 432569294 /nfs/dbraw/zinc/56/92/94/432569294.db2.gz LQPKMQGFUBXSLD-OAHLLOKOSA-N 2 2 303.381 3.127 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000263840242 432582869 /nfs/dbraw/zinc/58/28/69/432582869.db2.gz JYYQETJOWSZZAS-UHFFFAOYSA-N 2 2 319.412 3.091 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000186349643 432584706 /nfs/dbraw/zinc/58/47/06/432584706.db2.gz MZYYTAJFNIEWAC-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000186349643 432584708 /nfs/dbraw/zinc/58/47/08/432584708.db2.gz MZYYTAJFNIEWAC-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000156185388 432590649 /nfs/dbraw/zinc/59/06/49/432590649.db2.gz HXTSHHNBHFJLRB-PMACEKPBSA-N 2 2 312.457 3.137 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)n2c1 ZINC000156475349 432598713 /nfs/dbraw/zinc/59/87/13/432598713.db2.gz GUKGVJORAPKZGO-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)n2c1 ZINC000156475349 432598719 /nfs/dbraw/zinc/59/87/19/432598719.db2.gz GUKGVJORAPKZGO-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1C ZINC000195632319 432631240 /nfs/dbraw/zinc/63/12/40/432631240.db2.gz SXFKUOGULVFNFA-UHFFFAOYSA-N 2 2 315.505 3.301 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384611 432661497 /nfs/dbraw/zinc/66/14/97/432661497.db2.gz UCHKXEZYDOVOJR-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384611 432661499 /nfs/dbraw/zinc/66/14/99/432661499.db2.gz UCHKXEZYDOVOJR-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000274384611 432661501 /nfs/dbraw/zinc/66/15/01/432661501.db2.gz UCHKXEZYDOVOJR-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000274384611 432661503 /nfs/dbraw/zinc/66/15/03/432661503.db2.gz UCHKXEZYDOVOJR-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000274422698 432665679 /nfs/dbraw/zinc/66/56/79/432665679.db2.gz QQIYGIVTTPLQKL-BHIYHBOVSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000274422698 432665681 /nfs/dbraw/zinc/66/56/81/432665681.db2.gz QQIYGIVTTPLQKL-BHIYHBOVSA-N 2 2 304.478 3.300 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Br)c2)C1 ZINC000177838568 432667109 /nfs/dbraw/zinc/66/71/09/432667109.db2.gz AYLKNGDONBIJIA-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Br)c2)C1 ZINC000177838568 432667110 /nfs/dbraw/zinc/66/71/10/432667110.db2.gz AYLKNGDONBIJIA-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000177838568 432667115 /nfs/dbraw/zinc/66/71/15/432667115.db2.gz AYLKNGDONBIJIA-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000177838568 432667117 /nfs/dbraw/zinc/66/71/17/432667117.db2.gz AYLKNGDONBIJIA-AWEZNQCLSA-N 2 2 311.267 3.223 20 0 DGADLP COCCC[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000178111333 432696371 /nfs/dbraw/zinc/69/63/71/432696371.db2.gz XMZUUWVJSQVKAV-INIZCTEOSA-N 2 2 314.539 3.143 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199236 432705569 /nfs/dbraw/zinc/70/55/69/432705569.db2.gz KSBXMWIDOPKJCE-KBPBESRZSA-N 2 2 309.417 3.326 20 0 DGADLP COCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000178245198 432710867 /nfs/dbraw/zinc/71/08/67/432710867.db2.gz ULSUNHJIIFQWMJ-HNNXBMFYSA-N 2 2 308.441 3.195 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274835893 432715839 /nfs/dbraw/zinc/71/58/39/432715839.db2.gz VGKHJVOZLTWVET-HXUWFJFHSA-N 2 2 324.468 3.278 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274835893 432715842 /nfs/dbraw/zinc/71/58/42/432715842.db2.gz VGKHJVOZLTWVET-HXUWFJFHSA-N 2 2 324.468 3.278 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000274852009 432717159 /nfs/dbraw/zinc/71/71/59/432717159.db2.gz YAPGRKGVKZKIQD-HNNXBMFYSA-N 2 2 322.412 3.132 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328476 432722232 /nfs/dbraw/zinc/72/22/32/432722232.db2.gz XQAZXBZLLTUABX-IEBWSBKVSA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328476 432722236 /nfs/dbraw/zinc/72/22/36/432722236.db2.gz XQAZXBZLLTUABX-IEBWSBKVSA-N 2 2 319.493 3.115 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000178033872 432686345 /nfs/dbraw/zinc/68/63/45/432686345.db2.gz GTRLZAFGCZSYCP-ZDUSSCGKSA-N 2 2 312.429 3.225 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847278 432753279 /nfs/dbraw/zinc/75/32/79/432753279.db2.gz KIFCZONZJCJBQV-VQTJNVASSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847278 432753281 /nfs/dbraw/zinc/75/32/81/432753281.db2.gz KIFCZONZJCJBQV-VQTJNVASSA-N 2 2 315.505 3.062 20 0 DGADLP C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000266248150 432755931 /nfs/dbraw/zinc/75/59/31/432755931.db2.gz ZHGPJTWMTWGNMA-HNNXBMFYSA-N 2 2 321.428 3.059 20 0 DGADLP C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000266248150 432755935 /nfs/dbraw/zinc/75/59/35/432755935.db2.gz ZHGPJTWMTWGNMA-HNNXBMFYSA-N 2 2 321.428 3.059 20 0 DGADLP COc1cccc([C@@H](C)[NH+]2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000178823678 432780579 /nfs/dbraw/zinc/78/05/79/432780579.db2.gz GZQLNJIXYKWNJM-MRXNPFEDSA-N 2 2 311.429 3.282 20 0 DGADLP Cc1nc2sccn2c1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000275437338 432726955 /nfs/dbraw/zinc/72/69/55/432726955.db2.gz IRRLOWMIMZDSHU-UHFFFAOYSA-N 2 2 306.479 3.012 20 0 DGADLP Cc1nc2sccn2c1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000275437338 432726959 /nfs/dbraw/zinc/72/69/59/432726959.db2.gz IRRLOWMIMZDSHU-UHFFFAOYSA-N 2 2 306.479 3.012 20 0 DGADLP Cc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)no1 ZINC000178439244 432737268 /nfs/dbraw/zinc/73/72/68/432737268.db2.gz JICKRTSGILICGU-HUUCEWRRSA-N 2 2 313.445 3.229 20 0 DGADLP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)onc1-c1ccccc1 ZINC000265851955 432738457 /nfs/dbraw/zinc/73/84/57/432738457.db2.gz YUCAVAOMOXNAPM-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)onc1-c1ccccc1 ZINC000265851955 432738462 /nfs/dbraw/zinc/73/84/62/432738462.db2.gz YUCAVAOMOXNAPM-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+](C)C1(CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CCCC1 ZINC000275704048 432742980 /nfs/dbraw/zinc/74/29/80/432742980.db2.gz LWNDTCJYJOJZNQ-MRXNPFEDSA-N 2 2 316.424 3.102 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245408177 432826729 /nfs/dbraw/zinc/82/67/29/432826729.db2.gz GAVYYUAJXHVAOD-QLFBSQMISA-N 2 2 312.417 3.072 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245408177 432826735 /nfs/dbraw/zinc/82/67/35/432826735.db2.gz GAVYYUAJXHVAOD-QLFBSQMISA-N 2 2 312.417 3.072 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCCC1 ZINC000237900537 432802931 /nfs/dbraw/zinc/80/29/31/432802931.db2.gz BGQXYTSFIPATCN-UHFFFAOYSA-N 2 2 324.428 3.096 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@H]1CCC[NH2+]1 ZINC000238128792 432812902 /nfs/dbraw/zinc/81/29/02/432812902.db2.gz ACCFTJDIDLUWAP-OAHLLOKOSA-N 2 2 312.417 3.301 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2F)CCCO1 ZINC000277609845 432863886 /nfs/dbraw/zinc/86/38/86/432863886.db2.gz ARYBBWGFUQECOR-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2F)CCCO1 ZINC000277609845 432863888 /nfs/dbraw/zinc/86/38/88/432863888.db2.gz ARYBBWGFUQECOR-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)C4([NH3+])CCC4)cc3)[nH+]c12 ZINC000296198596 432882212 /nfs/dbraw/zinc/88/22/12/432882212.db2.gz ZBDYEASRONSHFT-UHFFFAOYSA-N 2 2 320.396 3.130 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163149752 432844754 /nfs/dbraw/zinc/84/47/54/432844754.db2.gz BAMOOWZEABNJEK-HNAYVOBHSA-N 2 2 313.445 3.464 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245726256 432858890 /nfs/dbraw/zinc/85/88/90/432858890.db2.gz ADZPJUZMEXEOBS-BPQIPLTHSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245726256 432858891 /nfs/dbraw/zinc/85/88/91/432858891.db2.gz ADZPJUZMEXEOBS-BPQIPLTHSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc(C[N@H+](C)CCCc2c[nH+]ccc2C)cc1O ZINC000289098694 432922595 /nfs/dbraw/zinc/92/25/95/432922595.db2.gz LXSJIKYPJHBEFW-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP COc1ccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cc1O ZINC000289098694 432922596 /nfs/dbraw/zinc/92/25/96/432922596.db2.gz LXSJIKYPJHBEFW-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000278992019 432924011 /nfs/dbraw/zinc/92/40/11/432924011.db2.gz QFWRDIQWWWXRCT-NJZAAPMLSA-N 2 2 320.462 3.064 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000289359867 432948848 /nfs/dbraw/zinc/94/88/48/432948848.db2.gz ZCGVZUJOFPISQV-OAHLLOKOSA-N 2 2 315.392 3.308 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000289036667 432915444 /nfs/dbraw/zinc/91/54/44/432915444.db2.gz BFBOCCROKWZOQR-UHFFFAOYSA-N 2 2 301.415 3.320 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000289036667 432915446 /nfs/dbraw/zinc/91/54/46/432915446.db2.gz BFBOCCROKWZOQR-UHFFFAOYSA-N 2 2 301.415 3.320 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000289061545 432918116 /nfs/dbraw/zinc/91/81/16/432918116.db2.gz AOHCTEOSLOJLRB-QGZVFWFLSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000289061545 432918119 /nfs/dbraw/zinc/91/81/19/432918119.db2.gz AOHCTEOSLOJLRB-QGZVFWFLSA-N 2 2 318.461 3.376 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cscc2Br)CC1 ZINC000289754314 432972522 /nfs/dbraw/zinc/97/25/22/432972522.db2.gz QBXMGVBAEXBJDM-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cscc2Br)CC1 ZINC000289754314 432972523 /nfs/dbraw/zinc/97/25/23/432972523.db2.gz QBXMGVBAEXBJDM-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)cc2[nH+]1 ZINC000332095746 432973313 /nfs/dbraw/zinc/97/33/13/432973313.db2.gz NZEQCLSQCFCCHR-GRYCIOLGSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)cc2[nH+]1 ZINC000332095746 432973317 /nfs/dbraw/zinc/97/33/17/432973317.db2.gz NZEQCLSQCFCCHR-GRYCIOLGSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC[C@H]3C[NH+]3CCCCC3)cn2c1 ZINC000341175586 432983126 /nfs/dbraw/zinc/98/31/26/432983126.db2.gz ZZRRFNWYMHJAFE-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279589281 432986895 /nfs/dbraw/zinc/98/68/95/432986895.db2.gz CJDXNNBBSLCAII-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncsc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279589281 432986900 /nfs/dbraw/zinc/98/69/00/432986900.db2.gz CJDXNNBBSLCAII-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279589281 432986903 /nfs/dbraw/zinc/98/69/03/432986903.db2.gz CJDXNNBBSLCAII-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279589281 432986908 /nfs/dbraw/zinc/98/69/08/432986908.db2.gz CJDXNNBBSLCAII-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000290112394 432994121 /nfs/dbraw/zinc/99/41/21/432994121.db2.gz YNZCGVBZEFUGSR-DLBZAZTESA-N 2 2 311.385 3.201 20 0 DGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000290137954 433000248 /nfs/dbraw/zinc/00/02/48/433000248.db2.gz MGUUMGXJEKXONP-UONOGXRCSA-N 2 2 312.417 3.157 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000297638047 433000951 /nfs/dbraw/zinc/00/09/51/433000951.db2.gz IEBKHNDSKCSZQD-UHFFFAOYSA-N 2 2 310.228 3.328 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000297638047 433000956 /nfs/dbraw/zinc/00/09/56/433000956.db2.gz IEBKHNDSKCSZQD-UHFFFAOYSA-N 2 2 310.228 3.328 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2ccc(OC)cc2s1 ZINC000349422332 432958114 /nfs/dbraw/zinc/95/81/14/432958114.db2.gz UXXYPEAWOSFROB-UHFFFAOYSA-N 2 2 321.490 3.469 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2ccc(OC)cc2s1 ZINC000349422332 432958118 /nfs/dbraw/zinc/95/81/18/432958118.db2.gz UXXYPEAWOSFROB-UHFFFAOYSA-N 2 2 321.490 3.469 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC000297656902 433003323 /nfs/dbraw/zinc/00/33/23/433003323.db2.gz NPMJNFWAVPKXSV-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC000297656902 433003325 /nfs/dbraw/zinc/00/33/25/433003325.db2.gz NPMJNFWAVPKXSV-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@H]1C ZINC000349756933 433004026 /nfs/dbraw/zinc/00/40/26/433004026.db2.gz JDUCSCHBWRTTFY-MDZRGWNJSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@@H](C)C[N@H+](C)Cc3ccccc3)cn2c1 ZINC000341271398 433012355 /nfs/dbraw/zinc/01/23/55/433012355.db2.gz LKHFQSNSHFIEHH-KRWDZBQOSA-N 2 2 322.456 3.253 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@@H](C)C[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000341271398 433012359 /nfs/dbraw/zinc/01/23/59/433012359.db2.gz LKHFQSNSHFIEHH-KRWDZBQOSA-N 2 2 322.456 3.253 20 0 DGADLP Cc1cnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000341299327 433021673 /nfs/dbraw/zinc/02/16/73/433021673.db2.gz CWNNYTNVHAEITJ-AWEZNQCLSA-N 2 2 316.474 3.162 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000290272471 433023771 /nfs/dbraw/zinc/02/37/71/433023771.db2.gz YBYRZSNBSCMBKM-UHFFFAOYSA-N 2 2 310.445 3.108 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000297885674 433027057 /nfs/dbraw/zinc/02/70/57/433027057.db2.gz VGMWHQGTMICVLY-XUJVJEKNSA-N 2 2 305.853 3.327 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000297883305 433027076 /nfs/dbraw/zinc/02/70/76/433027076.db2.gz VCWQLPOCYMUSQR-JFIYKMOQSA-N 2 2 312.461 3.389 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000297883305 433027080 /nfs/dbraw/zinc/02/70/80/433027080.db2.gz VCWQLPOCYMUSQR-JFIYKMOQSA-N 2 2 312.461 3.389 20 0 DGADLP Cc1cc(C[NH+](C)C)cc(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000280286112 433027813 /nfs/dbraw/zinc/02/78/13/433027813.db2.gz YXUMFMZXQXDHBO-SFHVURJKSA-N 2 2 321.428 3.376 20 0 DGADLP CC(=O)Nc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000290299975 433029241 /nfs/dbraw/zinc/02/92/41/433029241.db2.gz HTIZQCVCLJSSJJ-UHFFFAOYSA-N 2 2 311.429 3.113 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1O ZINC000297933695 433034062 /nfs/dbraw/zinc/03/40/62/433034062.db2.gz URXSOFPUCRFJQI-QGZVFWFLSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1O ZINC000297933695 433034065 /nfs/dbraw/zinc/03/40/65/433034065.db2.gz URXSOFPUCRFJQI-QGZVFWFLSA-N 2 2 318.461 3.099 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000333124446 433034735 /nfs/dbraw/zinc/03/47/35/433034735.db2.gz ISPJLHUZTQNEQV-RDJZCZTQSA-N 2 2 316.449 3.084 20 0 DGADLP Cc1ccncc1CCC[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000290357549 433038693 /nfs/dbraw/zinc/03/86/93/433038693.db2.gz MNDQRFMJQVVBAA-UHFFFAOYSA-N 2 2 323.484 3.011 20 0 DGADLP Cc1ccncc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000280386150 433044056 /nfs/dbraw/zinc/04/40/56/433044056.db2.gz UQZDMPRMKJPPAO-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1C ZINC000419726082 433069191 /nfs/dbraw/zinc/06/91/91/433069191.db2.gz JIPCEUREKGQOEK-CTYIDZIISA-N 2 2 318.852 3.175 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282187804 289364168 /nfs/dbraw/zinc/36/41/68/289364168.db2.gz NFFRUVMWKMEVSC-QZTJIDSGSA-N 2 2 302.462 3.228 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCc4sccc43)cn2)c[nH+]1 ZINC000361274174 433073337 /nfs/dbraw/zinc/07/33/37/433073337.db2.gz YWEBVCCAMKEKDI-HNNXBMFYSA-N 2 2 310.426 3.496 20 0 DGADLP Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341492898 433088926 /nfs/dbraw/zinc/08/89/26/433088926.db2.gz FINGWFACRLMUMC-HNNXBMFYSA-N 2 2 310.445 3.595 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000373100246 433092728 /nfs/dbraw/zinc/09/27/28/433092728.db2.gz QXNQUVNUIDPDPI-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000373100246 433092736 /nfs/dbraw/zinc/09/27/36/433092736.db2.gz QXNQUVNUIDPDPI-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCF)cc3)[nH+]c12 ZINC000280669877 433128087 /nfs/dbraw/zinc/12/80/87/433128087.db2.gz LZAVLWSBBQJCMD-UHFFFAOYSA-N 2 2 313.376 3.281 20 0 DGADLP CCN(CC)c1ccc(CNc2cc[nH+]c(C)c2Cl)c[nH+]1 ZINC000350311221 433129010 /nfs/dbraw/zinc/12/90/10/433129010.db2.gz GNHIPSMUTLSQQL-UHFFFAOYSA-N 2 2 304.825 3.319 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000446939848 433131022 /nfs/dbraw/zinc/13/10/22/433131022.db2.gz QFMKEHWPMWLLIW-DBVUQKKJSA-N 2 2 316.489 3.300 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000446939848 433131030 /nfs/dbraw/zinc/13/10/30/433131030.db2.gz QFMKEHWPMWLLIW-DBVUQKKJSA-N 2 2 316.489 3.300 20 0 DGADLP CCN(CCC[NH+](C)C)c1cc(COC)[nH+]c2ccc(F)cc21 ZINC000425254412 433134950 /nfs/dbraw/zinc/13/49/50/433134950.db2.gz LIJQFERBLLOILF-UHFFFAOYSA-N 2 2 319.424 3.298 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)c[nH+]1 ZINC000354535210 433135782 /nfs/dbraw/zinc/13/57/82/433135782.db2.gz BZPPYPIICZDDCC-LJQANCHMSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)c[nH+]1 ZINC000354535210 433135793 /nfs/dbraw/zinc/13/57/93/433135793.db2.gz BZPPYPIICZDDCC-LJQANCHMSA-N 3 2 303.494 3.423 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420263950 433140304 /nfs/dbraw/zinc/14/03/04/433140304.db2.gz UGKHRIVVLCOHGW-UONOGXRCSA-N 2 2 302.466 3.086 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([NH3+])CC2)cc1 ZINC000420279461 433146031 /nfs/dbraw/zinc/14/60/31/433146031.db2.gz XHCNGTNOYBQKJP-LJQANCHMSA-N 2 2 323.440 3.098 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000420296985 433150378 /nfs/dbraw/zinc/15/03/78/433150378.db2.gz XUVCSJFEEAOURW-INIZCTEOSA-N 2 2 318.490 3.114 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000420296985 433150385 /nfs/dbraw/zinc/15/03/85/433150385.db2.gz XUVCSJFEEAOURW-INIZCTEOSA-N 2 2 318.490 3.114 20 0 DGADLP CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420296387 433150809 /nfs/dbraw/zinc/15/08/09/433150809.db2.gz BSEVKJSTXINLPD-SFHVURJKSA-N 2 2 318.417 3.073 20 0 DGADLP Cc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510042 433104920 /nfs/dbraw/zinc/10/49/20/433104920.db2.gz XVGYHQBVSNBCOS-SFHVURJKSA-N 2 2 322.456 3.739 20 0 DGADLP Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510042 433104930 /nfs/dbraw/zinc/10/49/30/433104930.db2.gz XVGYHQBVSNBCOS-SFHVURJKSA-N 2 2 322.456 3.739 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CCCC1 ZINC000446838245 433115209 /nfs/dbraw/zinc/11/52/09/433115209.db2.gz GIKZARQYXNDOLV-MOPGFXCFSA-N 2 2 304.478 3.393 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC000446846544 433120770 /nfs/dbraw/zinc/12/07/70/433120770.db2.gz BCJBVKARONVVCC-BRWVUGGUSA-N 2 2 324.509 3.066 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC000446846544 433120778 /nfs/dbraw/zinc/12/07/78/433120778.db2.gz BCJBVKARONVVCC-BRWVUGGUSA-N 2 2 324.509 3.066 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nc1 ZINC000453408690 433163585 /nfs/dbraw/zinc/16/35/85/433163585.db2.gz FQUZKCGKIUCUQB-FXAWDEMLSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc1 ZINC000453408690 433163592 /nfs/dbraw/zinc/16/35/92/433163592.db2.gz FQUZKCGKIUCUQB-FXAWDEMLSA-N 2 2 309.457 3.358 20 0 DGADLP COc1ccc([C@@H](CCO)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354581853 433164655 /nfs/dbraw/zinc/16/46/55/433164655.db2.gz XPSXSGVHKADLSU-LJQANCHMSA-N 2 2 314.429 3.045 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])cc(C)c1OCC(F)(F)F ZINC000420328509 433167340 /nfs/dbraw/zinc/16/73/40/433167340.db2.gz ZPKGMNJHYHGVIK-LBPRGKRZSA-N 2 2 304.356 3.024 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])cc(C)c1OCC(F)(F)F ZINC000420328509 433167343 /nfs/dbraw/zinc/16/73/43/433167343.db2.gz ZPKGMNJHYHGVIK-LBPRGKRZSA-N 2 2 304.356 3.024 20 0 DGADLP Cc1ccc(C[C@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425331130 433168309 /nfs/dbraw/zinc/16/83/09/433168309.db2.gz WXZQOUJBUOIRLK-QGZVFWFLSA-N 2 2 312.461 3.002 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654558 433171959 /nfs/dbraw/zinc/17/19/59/433171959.db2.gz BVZSNDFQXOWZCS-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654558 433171964 /nfs/dbraw/zinc/17/19/64/433171964.db2.gz BVZSNDFQXOWZCS-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000420353009 433174547 /nfs/dbraw/zinc/17/45/47/433174547.db2.gz ACMFQJFJQGOEFG-TYNCELHUSA-N 2 2 316.367 3.104 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420360247 433174628 /nfs/dbraw/zinc/17/46/28/433174628.db2.gz KVWWQGGUWOJDQA-MRXNPFEDSA-N 2 2 319.836 3.473 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000336703186 433176934 /nfs/dbraw/zinc/17/69/34/433176934.db2.gz GCBUYZFVGJWIHJ-OXJNMPFZSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000336703186 433176949 /nfs/dbraw/zinc/17/69/49/433176949.db2.gz GCBUYZFVGJWIHJ-OXJNMPFZSA-N 2 2 310.441 3.448 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420360931 433177181 /nfs/dbraw/zinc/17/71/81/433177181.db2.gz HPEIEKNBXQYVBH-PEBVRCNWSA-N 2 2 319.836 3.471 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3c2OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336705998 433177777 /nfs/dbraw/zinc/17/77/77/433177777.db2.gz MTKMWIDKBVPLQC-YJBOKZPZSA-N 2 2 324.424 3.168 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000336705998 433177787 /nfs/dbraw/zinc/17/77/87/433177787.db2.gz MTKMWIDKBVPLQC-YJBOKZPZSA-N 2 2 324.424 3.168 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1C ZINC000420371347 433179852 /nfs/dbraw/zinc/17/98/52/433179852.db2.gz PIKIWAQKQAVKFL-SVBQJQNYSA-N 2 2 302.462 3.291 20 0 DGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(C)(c3ccccc3)CC2)n1C ZINC000425342743 433180495 /nfs/dbraw/zinc/18/04/95/433180495.db2.gz ZULVTLOHTITYDO-UHFFFAOYSA-N 2 2 312.461 3.040 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000420365629 433182334 /nfs/dbraw/zinc/18/23/34/433182334.db2.gz QJXVNOLDWXZMCU-INIZCTEOSA-N 2 2 315.486 3.212 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH2+]Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000420369418 433183484 /nfs/dbraw/zinc/18/34/84/433183484.db2.gz IYEUJDYJVDKKSX-GFCCVEGCSA-N 2 2 302.422 3.238 20 0 DGADLP CC(C)Cc1ccc([C@H]([NH2+]Cc2noc(C[NH3+])n2)C(C)C)cc1 ZINC000420371630 433185741 /nfs/dbraw/zinc/18/57/41/433185741.db2.gz KQQWICCCQSJANF-GOSISDBHSA-N 2 2 316.449 3.214 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420375720 433187017 /nfs/dbraw/zinc/18/70/17/433187017.db2.gz UEZJXOWGKFYRKT-INIZCTEOSA-N 2 2 318.440 3.193 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000336863801 433191266 /nfs/dbraw/zinc/19/12/66/433191266.db2.gz ISOQGSVNRFBZOG-CEXWTWQISA-N 2 2 302.462 3.228 20 0 DGADLP Cc1cc(F)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC000425349273 433191313 /nfs/dbraw/zinc/19/13/13/433191313.db2.gz KXFWCWGTBNXGCW-CQSZACIVSA-N 2 2 319.399 3.461 20 0 DGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC000425349273 433191320 /nfs/dbraw/zinc/19/13/20/433191320.db2.gz KXFWCWGTBNXGCW-CQSZACIVSA-N 2 2 319.399 3.461 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000420381711 433193566 /nfs/dbraw/zinc/19/35/66/433193566.db2.gz ZGOLZNQIROSXRI-BFVZDQMLSA-N 2 2 315.230 3.064 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1OC ZINC000341663657 433194359 /nfs/dbraw/zinc/19/43/59/433194359.db2.gz YBSVLZRNWHOPOZ-CQSZACIVSA-N 2 2 303.406 3.031 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420399456 433197155 /nfs/dbraw/zinc/19/71/55/433197155.db2.gz HWEUPCSTHYDTJE-HRCADAONSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420399456 433197160 /nfs/dbraw/zinc/19/71/60/433197160.db2.gz HWEUPCSTHYDTJE-HRCADAONSA-N 2 2 317.477 3.054 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@H]2c2ccccc2)n1C ZINC000425372691 433213806 /nfs/dbraw/zinc/21/38/06/433213806.db2.gz UCHARJLGHYJNCD-ROUUACIJSA-N 2 2 312.461 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)n1C ZINC000425372691 433213815 /nfs/dbraw/zinc/21/38/15/433213815.db2.gz UCHARJLGHYJNCD-ROUUACIJSA-N 2 2 312.461 3.254 20 0 DGADLP COCC[C@H](Cc1ccco1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354669018 433214473 /nfs/dbraw/zinc/21/44/73/433214473.db2.gz UEGZIGBOQAYTGQ-QGZVFWFLSA-N 2 2 302.418 3.153 20 0 DGADLP c1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cn2)nc1 ZINC000425401196 433222276 /nfs/dbraw/zinc/22/22/76/433222276.db2.gz DXAXZCMOUWHIQV-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCSC1 ZINC000341700072 433223912 /nfs/dbraw/zinc/22/39/12/433223912.db2.gz STDGNRIYVZVDSC-IRXDYDNUSA-N 2 2 308.466 3.230 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569023 433250922 /nfs/dbraw/zinc/25/09/22/433250922.db2.gz ZGWJVEJWOUVSMW-VXGBXAGGSA-N 2 2 315.255 3.347 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569023 433250930 /nfs/dbraw/zinc/25/09/30/433250930.db2.gz ZGWJVEJWOUVSMW-VXGBXAGGSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569023 433250933 /nfs/dbraw/zinc/25/09/33/433250933.db2.gz ZGWJVEJWOUVSMW-VXGBXAGGSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569023 433250941 /nfs/dbraw/zinc/25/09/41/433250941.db2.gz ZGWJVEJWOUVSMW-VXGBXAGGSA-N 2 2 315.255 3.347 20 0 DGADLP CC(C)[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCCO1 ZINC000354794650 433280067 /nfs/dbraw/zinc/28/00/67/433280067.db2.gz UJTPIGRADJFTLR-INIZCTEOSA-N 2 2 305.447 3.181 20 0 DGADLP CC(C)[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCCO1 ZINC000354794650 433280072 /nfs/dbraw/zinc/28/00/72/433280072.db2.gz UJTPIGRADJFTLR-INIZCTEOSA-N 2 2 305.447 3.181 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000425527299 433282200 /nfs/dbraw/zinc/28/22/00/433282200.db2.gz LVZQXYZLUAKLTO-UHFFFAOYSA-N 2 2 319.836 3.136 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1Cl)C1COC1 ZINC000425527299 433282208 /nfs/dbraw/zinc/28/22/08/433282208.db2.gz LVZQXYZLUAKLTO-UHFFFAOYSA-N 2 2 319.836 3.136 20 0 DGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000338195050 433283241 /nfs/dbraw/zinc/28/32/41/433283241.db2.gz KGBSYOQDQSUZKK-INIZCTEOSA-N 2 2 317.383 3.317 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000361621875 433296840 /nfs/dbraw/zinc/29/68/40/433296840.db2.gz WZQKIVVJXOFIFK-UHFFFAOYSA-N 2 2 312.457 3.037 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000361621875 433296850 /nfs/dbraw/zinc/29/68/50/433296850.db2.gz WZQKIVVJXOFIFK-UHFFFAOYSA-N 2 2 312.457 3.037 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563339 433307059 /nfs/dbraw/zinc/30/70/59/433307059.db2.gz KQZYRUDGDOQNHC-DFQSSKMNSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563339 433307072 /nfs/dbraw/zinc/30/70/72/433307072.db2.gz KQZYRUDGDOQNHC-DFQSSKMNSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000338563339 433307084 /nfs/dbraw/zinc/30/70/84/433307084.db2.gz KQZYRUDGDOQNHC-DFQSSKMNSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000338563339 433307097 /nfs/dbraw/zinc/30/70/97/433307097.db2.gz KQZYRUDGDOQNHC-DFQSSKMNSA-N 2 2 314.473 3.323 20 0 DGADLP C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912853 433309788 /nfs/dbraw/zinc/30/97/88/433309788.db2.gz ACQZBFWQXMEGOG-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912853 433309796 /nfs/dbraw/zinc/30/97/96/433309796.db2.gz ACQZBFWQXMEGOG-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]([N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C1(C)CC1 ZINC000420915279 433311503 /nfs/dbraw/zinc/31/15/03/433311503.db2.gz LGUMVJZTWIZQML-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]([N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C1(C)CC1 ZINC000420915279 433311509 /nfs/dbraw/zinc/31/15/09/433311509.db2.gz LGUMVJZTWIZQML-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896553 433345021 /nfs/dbraw/zinc/34/50/21/433345021.db2.gz OKCAOPKSNXFANH-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896553 433345028 /nfs/dbraw/zinc/34/50/28/433345028.db2.gz OKCAOPKSNXFANH-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896553 433345038 /nfs/dbraw/zinc/34/50/38/433345038.db2.gz OKCAOPKSNXFANH-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896553 433345043 /nfs/dbraw/zinc/34/50/43/433345043.db2.gz OKCAOPKSNXFANH-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420980734 433365331 /nfs/dbraw/zinc/36/53/31/433365331.db2.gz XJKRYBIDFLWOEG-MRXNPFEDSA-N 2 2 302.462 3.282 20 0 DGADLP C[C@@H]1CCC(C)(C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420980734 433365340 /nfs/dbraw/zinc/36/53/40/433365340.db2.gz XJKRYBIDFLWOEG-MRXNPFEDSA-N 2 2 302.462 3.282 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C2 ZINC000425913314 433372531 /nfs/dbraw/zinc/37/25/31/433372531.db2.gz GMOGOIFBWVZLKX-IRXDYDNUSA-N 2 2 304.478 3.118 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000361754196 433374262 /nfs/dbraw/zinc/37/42/62/433374262.db2.gz MUGNHDCMXOQKJI-UHFFFAOYSA-N 2 2 313.445 3.165 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000361869431 433430278 /nfs/dbraw/zinc/43/02/78/433430278.db2.gz UUWWRPCPPWXWNV-FQEVSTJZSA-N 2 2 321.424 3.394 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000414079209 433379788 /nfs/dbraw/zinc/37/97/88/433379788.db2.gz SPRBZGNMKTZITJ-MSOLQXFVSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000448351272 433391537 /nfs/dbraw/zinc/39/15/37/433391537.db2.gz PVWGJACBKVADPI-NXHRZFHOSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000448351272 433391548 /nfs/dbraw/zinc/39/15/48/433391548.db2.gz PVWGJACBKVADPI-NXHRZFHOSA-N 2 2 304.503 3.240 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000281820764 433392627 /nfs/dbraw/zinc/39/26/27/433392627.db2.gz ZPIAGAXVVKPBJU-IAGOWNOFSA-N 2 2 301.478 3.490 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000351200277 433410578 /nfs/dbraw/zinc/41/05/78/433410578.db2.gz JEQYLXYEFIBFRH-BBRMVZONSA-N 2 2 307.825 3.292 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339211126 433440321 /nfs/dbraw/zinc/44/03/21/433440321.db2.gz BJCZGHJTXFBYSO-QGZVFWFLSA-N 2 2 313.445 3.087 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339211126 433440332 /nfs/dbraw/zinc/44/03/32/433440332.db2.gz BJCZGHJTXFBYSO-QGZVFWFLSA-N 2 2 313.445 3.087 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@@H]21 ZINC000342083774 433456135 /nfs/dbraw/zinc/45/61/35/433456135.db2.gz KUTGPRJPESGPSF-CWRNSKLLSA-N 2 2 305.491 3.360 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@@H]21 ZINC000342083774 433456143 /nfs/dbraw/zinc/45/61/43/433456143.db2.gz KUTGPRJPESGPSF-CWRNSKLLSA-N 2 2 305.491 3.360 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000424368874 290005856 /nfs/dbraw/zinc/00/58/56/290005856.db2.gz ARJYTEFEJOLAMJ-CYZMBNFOSA-N 2 2 306.841 3.147 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000361972553 433474852 /nfs/dbraw/zinc/47/48/52/433474852.db2.gz SBMRITTZTXLJQS-BBRMVZONSA-N 2 2 310.532 3.496 20 0 DGADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCC2 ZINC000361967415 433476596 /nfs/dbraw/zinc/47/65/96/433476596.db2.gz TVZINEDBLFSXNU-RDTXWAMCSA-N 2 2 304.503 3.263 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421335097 433485434 /nfs/dbraw/zinc/48/54/34/433485434.db2.gz RTIHDXMDVRNDCO-IYBDPMFKSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421335097 433485443 /nfs/dbraw/zinc/48/54/43/433485443.db2.gz RTIHDXMDVRNDCO-IYBDPMFKSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000476986835 290384494 /nfs/dbraw/zinc/38/44/94/290384494.db2.gz RXGBUOSOQKDCSF-INIZCTEOSA-N 2 2 324.509 3.305 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000476986835 290384496 /nfs/dbraw/zinc/38/44/96/290384496.db2.gz RXGBUOSOQKDCSF-INIZCTEOSA-N 2 2 324.509 3.305 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447129 433513977 /nfs/dbraw/zinc/51/39/77/433513977.db2.gz UPTCASTYWZSOPO-RHSMWYFYSA-N 2 2 316.445 3.271 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447129 433513984 /nfs/dbraw/zinc/51/39/84/433513984.db2.gz UPTCASTYWZSOPO-RHSMWYFYSA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447129 433513993 /nfs/dbraw/zinc/51/39/93/433513993.db2.gz UPTCASTYWZSOPO-RHSMWYFYSA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447129 433514003 /nfs/dbraw/zinc/51/40/03/433514003.db2.gz UPTCASTYWZSOPO-RHSMWYFYSA-N 2 2 316.445 3.271 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000339325836 433517155 /nfs/dbraw/zinc/51/71/55/433517155.db2.gz OYLJTYLNEDTKRJ-AEFFLSMTSA-N 2 2 318.461 3.424 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000414294931 433519782 /nfs/dbraw/zinc/51/97/82/433519782.db2.gz CKMVLZQPFQIKGG-XYJFISCASA-N 2 2 302.462 3.369 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000414294931 433519789 /nfs/dbraw/zinc/51/97/89/433519789.db2.gz CKMVLZQPFQIKGG-XYJFISCASA-N 2 2 302.462 3.369 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000282173311 433519867 /nfs/dbraw/zinc/51/98/67/433519867.db2.gz MJNZXPUWLCQYCM-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000414294927 433520808 /nfs/dbraw/zinc/52/08/08/433520808.db2.gz CKMVLZQPFQIKGG-RYRKJORJSA-N 2 2 302.462 3.369 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000414294927 433520820 /nfs/dbraw/zinc/52/08/20/433520820.db2.gz CKMVLZQPFQIKGG-RYRKJORJSA-N 2 2 302.462 3.369 20 0 DGADLP CCCC[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301357900 433523165 /nfs/dbraw/zinc/52/31/65/433523165.db2.gz LCMIBZFUMBPJDI-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP CCCC[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301357900 433523173 /nfs/dbraw/zinc/52/31/73/433523173.db2.gz LCMIBZFUMBPJDI-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)n1C ZINC000414300062 433525629 /nfs/dbraw/zinc/52/56/29/433525629.db2.gz LKAUBRUOAWIOOY-UHFFFAOYSA-N 2 2 300.450 3.073 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355208321 433536446 /nfs/dbraw/zinc/53/64/46/433536446.db2.gz HDMDUGMYFKOLAS-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355208321 433536451 /nfs/dbraw/zinc/53/64/51/433536451.db2.gz HDMDUGMYFKOLAS-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355208321 433536462 /nfs/dbraw/zinc/53/64/62/433536462.db2.gz HDMDUGMYFKOLAS-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355208321 433536469 /nfs/dbraw/zinc/53/64/69/433536469.db2.gz HDMDUGMYFKOLAS-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000282236220 433538177 /nfs/dbraw/zinc/53/81/77/433538177.db2.gz PRRRYCFBMQRQIT-GOSISDBHSA-N 2 2 302.462 3.057 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000282236220 433538187 /nfs/dbraw/zinc/53/81/87/433538187.db2.gz PRRRYCFBMQRQIT-GOSISDBHSA-N 2 2 302.462 3.057 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339275208 433486109 /nfs/dbraw/zinc/48/61/09/433486109.db2.gz YYRKDSSGBNIMLU-MRXNPFEDSA-N 2 2 302.462 3.155 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000342147791 433499991 /nfs/dbraw/zinc/49/99/91/433499991.db2.gz UZKJAPBAHGFQLY-OAHLLOKOSA-N 2 2 323.440 3.152 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339293150 433505893 /nfs/dbraw/zinc/50/58/93/433505893.db2.gz IRASFVXUFJAWJB-ZWKOTPCHSA-N 2 2 313.445 3.228 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375618664 433508813 /nfs/dbraw/zinc/50/88/13/433508813.db2.gz AFVVQDQIRPERRA-APWZRJJASA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375618664 433508816 /nfs/dbraw/zinc/50/88/16/433508816.db2.gz AFVVQDQIRPERRA-APWZRJJASA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375618664 433508821 /nfs/dbraw/zinc/50/88/21/433508821.db2.gz AFVVQDQIRPERRA-APWZRJJASA-N 2 2 316.493 3.221 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1C ZINC000414333184 433550559 /nfs/dbraw/zinc/55/05/59/433550559.db2.gz WDAVCIQAPNXFPF-QGZVFWFLSA-N 2 2 316.424 3.256 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000339398520 433556433 /nfs/dbraw/zinc/55/64/33/433556433.db2.gz VQOPGEULZNXAGX-CJNGLKHVSA-N 2 2 314.433 3.235 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000339398520 433556445 /nfs/dbraw/zinc/55/64/45/433556445.db2.gz VQOPGEULZNXAGX-CJNGLKHVSA-N 2 2 314.433 3.235 20 0 DGADLP Cc1ccc(CCCN2CC[NH2+]C[C@H]2c2cccc(F)c2)c[nH+]1 ZINC000339410894 433563876 /nfs/dbraw/zinc/56/38/76/433563876.db2.gz ZDFIFHNVYHGHDZ-IBGZPJMESA-N 2 2 313.420 3.108 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1C ZINC000414355533 433565464 /nfs/dbraw/zinc/56/54/64/433565464.db2.gz AFKSTTUAMGJOSP-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414360075 433569214 /nfs/dbraw/zinc/56/92/14/433569214.db2.gz FXRVUJHWGZCGKZ-SJKOYZFVSA-N 2 2 316.424 3.038 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)(C)c1ccccc1 ZINC000414363601 433573000 /nfs/dbraw/zinc/57/30/00/433573000.db2.gz YDAWZWPAAIMHFS-QGZVFWFLSA-N 2 2 314.477 3.332 20 0 DGADLP Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301474956 433573698 /nfs/dbraw/zinc/57/36/98/433573698.db2.gz NFZHLFLXTCKBHA-UHFFFAOYSA-N 2 2 320.481 3.210 20 0 DGADLP Cc1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000414385023 433588855 /nfs/dbraw/zinc/58/88/55/433588855.db2.gz WFMKYSIGSCMULV-HOTGVXAUSA-N 2 2 324.472 3.031 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351515905 433547946 /nfs/dbraw/zinc/54/79/46/433547946.db2.gz DLKXPWIWCOQSCJ-FUHWJXTLSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351515905 433547956 /nfs/dbraw/zinc/54/79/56/433547956.db2.gz DLKXPWIWCOQSCJ-FUHWJXTLSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000351515905 433547963 /nfs/dbraw/zinc/54/79/63/433547963.db2.gz DLKXPWIWCOQSCJ-FUHWJXTLSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351515905 433547967 /nfs/dbraw/zinc/54/79/67/433547967.db2.gz DLKXPWIWCOQSCJ-FUHWJXTLSA-N 2 2 320.477 3.214 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)CCO1 ZINC000362297466 433627429 /nfs/dbraw/zinc/62/74/29/433627429.db2.gz XPYVITITLQNFAD-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP CC(C)[NH+]1CCC(N(C)c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301606603 433632606 /nfs/dbraw/zinc/63/26/06/433632606.db2.gz YXDRSTSGLSIGPL-UHFFFAOYSA-N 2 2 301.356 3.409 20 0 DGADLP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000162937669 292860862 /nfs/dbraw/zinc/86/08/62/292860862.db2.gz ZUBGABNYGNFLBZ-ZDUSSCGKSA-N 2 2 316.368 3.384 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000282401128 433597998 /nfs/dbraw/zinc/59/79/98/433597998.db2.gz XWGTXDVZSSTCTB-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282401128 433598006 /nfs/dbraw/zinc/59/80/06/433598006.db2.gz XWGTXDVZSSTCTB-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccccn2)CC1 ZINC000301542500 433602724 /nfs/dbraw/zinc/60/27/24/433602724.db2.gz SJPOURLYENDGCX-UHFFFAOYSA-N 2 2 322.387 3.091 20 0 DGADLP c1nc([C@H]2CCCO2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000339491620 433616204 /nfs/dbraw/zinc/61/62/04/433616204.db2.gz IWGKNUGTOZWBSU-MRXNPFEDSA-N 2 2 321.490 3.101 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)CCO1 ZINC000362297466 433627420 /nfs/dbraw/zinc/62/74/20/433627420.db2.gz XPYVITITLQNFAD-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427113961 433657118 /nfs/dbraw/zinc/65/71/18/433657118.db2.gz KFNXZMGTUXJYJT-DGCLKSJQSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427113961 433657128 /nfs/dbraw/zinc/65/71/28/433657128.db2.gz KFNXZMGTUXJYJT-DGCLKSJQSA-N 2 2 316.779 3.125 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427136964 433659959 /nfs/dbraw/zinc/65/99/59/433659959.db2.gz NMIGOALTANITJG-YOEHRIQHSA-N 2 2 319.880 3.124 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427136964 433659965 /nfs/dbraw/zinc/65/99/65/433659965.db2.gz NMIGOALTANITJG-YOEHRIQHSA-N 2 2 319.880 3.124 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)s1 ZINC000301667671 433664507 /nfs/dbraw/zinc/66/45/07/433664507.db2.gz XLXOQXSJNUTTAB-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cnccc2C(C)(C)C)s1 ZINC000414497730 433665842 /nfs/dbraw/zinc/66/58/42/433665842.db2.gz LIODNRGEMFEWQF-UHFFFAOYSA-N 2 2 318.490 3.187 20 0 DGADLP Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678413 433669351 /nfs/dbraw/zinc/66/93/51/433669351.db2.gz INQZUHYOAFDUMS-KSSFIOAISA-N 2 2 316.493 3.493 20 0 DGADLP Cc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678413 433669358 /nfs/dbraw/zinc/66/93/58/433669358.db2.gz INQZUHYOAFDUMS-KSSFIOAISA-N 2 2 316.493 3.493 20 0 DGADLP CC(C)(C)Oc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000351699869 433677271 /nfs/dbraw/zinc/67/72/71/433677271.db2.gz GVPXGWHHKQSDFP-UHFFFAOYSA-N 2 2 314.433 3.293 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366734762 292982661 /nfs/dbraw/zinc/98/26/61/292982661.db2.gz LFMHGYLAXJUFCT-CHWSQXEVSA-N 2 2 305.447 3.490 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000121758239 292983302 /nfs/dbraw/zinc/98/33/02/292983302.db2.gz OWYLIEWCVFCASI-GOSISDBHSA-N 2 2 324.428 3.349 20 0 DGADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367206749 293037641 /nfs/dbraw/zinc/03/76/41/293037641.db2.gz QZACYIBESNPUJA-HZPDHXFCSA-N 2 2 302.397 3.275 20 0 DGADLP c1ccc([C@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000367259595 293044867 /nfs/dbraw/zinc/04/48/67/293044867.db2.gz IXVKMZFIFVDUOH-RBUKOAKNSA-N 2 2 314.473 3.372 20 0 DGADLP c1csc([C@@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+]2CCCC2)c1 ZINC000367259924 293044878 /nfs/dbraw/zinc/04/48/78/293044878.db2.gz LCHGLYPIIWMUOW-NVXWUHKLSA-N 2 2 320.502 3.434 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000367308674 293051794 /nfs/dbraw/zinc/05/17/94/293051794.db2.gz QFTRQFSQCMGBRJ-HNNXBMFYSA-N 2 2 304.340 3.324 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449031458 433694257 /nfs/dbraw/zinc/69/42/57/433694257.db2.gz VLXLIFSKRCYBLL-MRXNPFEDSA-N 2 2 304.482 3.162 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449031458 433694265 /nfs/dbraw/zinc/69/42/65/433694265.db2.gz VLXLIFSKRCYBLL-MRXNPFEDSA-N 2 2 304.482 3.162 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CSCCc3ccccc31)CCCC2 ZINC000367435988 293071871 /nfs/dbraw/zinc/07/18/71/293071871.db2.gz DGVNJQZSONNBMQ-KRWDZBQOSA-N 2 2 313.470 3.340 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000367447214 293073928 /nfs/dbraw/zinc/07/39/28/293073928.db2.gz JXTUZKQOYSTSPI-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000367447214 293073929 /nfs/dbraw/zinc/07/39/29/293073929.db2.gz JXTUZKQOYSTSPI-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000367596371 293088474 /nfs/dbraw/zinc/08/84/74/293088474.db2.gz PERXGLINRHRWLJ-WBVHZDCISA-N 2 2 304.482 3.353 20 0 DGADLP CC[C@]1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCC[NH2+]1 ZINC000368360687 293119150 /nfs/dbraw/zinc/11/91/50/293119150.db2.gz KISIDRHXLLVWQS-GOSISDBHSA-N 2 2 312.417 3.164 20 0 DGADLP Fc1cncc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)c1 ZINC000369750859 293137984 /nfs/dbraw/zinc/13/79/84/293137984.db2.gz RLRAMSOCDVNGEN-GOSISDBHSA-N 2 2 323.375 3.042 20 0 DGADLP CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000371323902 293210087 /nfs/dbraw/zinc/21/00/87/293210087.db2.gz SAVYKAWVAXZHLD-FQEVSTJZSA-N 2 2 318.424 3.149 20 0 DGADLP CCOC1CC(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000351762548 433707792 /nfs/dbraw/zinc/70/77/92/433707792.db2.gz ZVCNBKVBKRBTFV-UHFFFAOYSA-N 2 2 305.466 3.190 20 0 DGADLP Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678411 293226595 /nfs/dbraw/zinc/22/65/95/293226595.db2.gz INQZUHYOAFDUMS-KBXCAEBGSA-N 2 2 316.493 3.493 20 0 DGADLP Cc1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678411 293226597 /nfs/dbraw/zinc/22/65/97/293226597.db2.gz INQZUHYOAFDUMS-KBXCAEBGSA-N 2 2 316.493 3.493 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371670 293240286 /nfs/dbraw/zinc/24/02/86/293240286.db2.gz YCKUWOHXWKUNPQ-YJBOKZPZSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371670 293240290 /nfs/dbraw/zinc/24/02/90/293240290.db2.gz YCKUWOHXWKUNPQ-YJBOKZPZSA-N 2 2 312.461 3.124 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000372992069 293248121 /nfs/dbraw/zinc/24/81/21/293248121.db2.gz IPFHDOJZKVVOMR-INIZCTEOSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000372992069 293248126 /nfs/dbraw/zinc/24/81/26/293248126.db2.gz IPFHDOJZKVVOMR-INIZCTEOSA-N 2 2 317.408 3.397 20 0 DGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000373351407 293264377 /nfs/dbraw/zinc/26/43/77/293264377.db2.gz BHZUICMSDURFNF-HNAYVOBHSA-N 2 2 322.412 3.133 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419766 293293792 /nfs/dbraw/zinc/29/37/92/293293792.db2.gz JDBTZUDNLIRDPH-SWLSCSKDSA-N 2 2 316.367 3.125 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC(OCC4CC4)CC3)cc2)c[nH+]1 ZINC000374090305 293350838 /nfs/dbraw/zinc/35/08/38/293350838.db2.gz BLSCZTXAFCGZFK-UHFFFAOYSA-N 2 2 311.429 3.263 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1Cl ZINC000374423845 293398424 /nfs/dbraw/zinc/39/84/24/293398424.db2.gz XXTVOCYXVVHFTD-HYVNUMGLSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1Cl ZINC000374423845 293398426 /nfs/dbraw/zinc/39/84/26/293398426.db2.gz XXTVOCYXVVHFTD-HYVNUMGLSA-N 2 2 308.853 3.024 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356838652 433721059 /nfs/dbraw/zinc/72/10/59/433721059.db2.gz DSKPXQVJPSXONG-HOCLYGCPSA-N 2 2 301.434 3.140 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000449186636 433729939 /nfs/dbraw/zinc/72/99/39/433729939.db2.gz KWSLEXCODCIKKC-QCTRZYONSA-N 2 2 306.494 3.472 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000449186636 433729946 /nfs/dbraw/zinc/72/99/46/433729946.db2.gz KWSLEXCODCIKKC-QCTRZYONSA-N 2 2 306.494 3.472 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccnn1C1CCCC1 ZINC000449324684 433739560 /nfs/dbraw/zinc/73/95/60/433739560.db2.gz GZSHBPFBLLYFTE-UHFFFAOYSA-N 2 2 304.482 3.306 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccnn1C1CCCC1 ZINC000449324684 433739569 /nfs/dbraw/zinc/73/95/69/433739569.db2.gz GZSHBPFBLLYFTE-UHFFFAOYSA-N 2 2 304.482 3.306 20 0 DGADLP COC1([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000421822144 433742859 /nfs/dbraw/zinc/74/28/59/433742859.db2.gz VYQLJBHWCNVAQP-MRXNPFEDSA-N 2 2 313.445 3.369 20 0 DGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000356886761 433746676 /nfs/dbraw/zinc/74/66/76/433746676.db2.gz YJRZNCSLFAMXLO-UHFFFAOYSA-N 2 2 321.412 3.266 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)c1 ZINC000449616433 433754668 /nfs/dbraw/zinc/75/46/68/433754668.db2.gz CWLQCNZNKBSKJZ-QSPRXWTASA-N 2 2 300.446 3.156 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)c1 ZINC000449616433 433754682 /nfs/dbraw/zinc/75/46/82/433754682.db2.gz CWLQCNZNKBSKJZ-QSPRXWTASA-N 2 2 300.446 3.156 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000421836083 433757930 /nfs/dbraw/zinc/75/79/30/433757930.db2.gz GMAVUWVOGPHPIF-RISCZKNCSA-N 2 2 307.800 3.211 20 0 DGADLP Cc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000301862658 433765485 /nfs/dbraw/zinc/76/54/85/433765485.db2.gz CQQUQKRGTUEHRA-MRXNPFEDSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000301862658 433765491 /nfs/dbraw/zinc/76/54/91/433765491.db2.gz CQQUQKRGTUEHRA-MRXNPFEDSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1cc(N2CCC[N@H+](CC(F)F)CC2)c2cc(F)ccc2[nH+]1 ZINC000301865017 433766847 /nfs/dbraw/zinc/76/68/47/433766847.db2.gz BHTSCDOUIDPSQK-UHFFFAOYSA-N 2 2 323.362 3.460 20 0 DGADLP Cc1cc(N2CCC[N@@H+](CC(F)F)CC2)c2cc(F)ccc2[nH+]1 ZINC000301865017 433766854 /nfs/dbraw/zinc/76/68/54/433766854.db2.gz BHTSCDOUIDPSQK-UHFFFAOYSA-N 2 2 323.362 3.460 20 0 DGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414660937 433774060 /nfs/dbraw/zinc/77/40/60/433774060.db2.gz OZNKEKCOFVZSRY-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414660937 433774070 /nfs/dbraw/zinc/77/40/70/433774070.db2.gz OZNKEKCOFVZSRY-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP CC(C)c1cc(NC[C@@H](C)C[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301881844 433776436 /nfs/dbraw/zinc/77/64/36/433776436.db2.gz WHYKJOHGBDCMLI-OAHLLOKOSA-N 2 2 320.481 3.104 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000449765016 433778972 /nfs/dbraw/zinc/77/89/72/433778972.db2.gz FTSIKWGYGNBMBO-YESZJQIVSA-N 2 2 324.509 3.208 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000293564819 433782319 /nfs/dbraw/zinc/78/23/19/433782319.db2.gz AVFKWNPBMLAAOS-HKUYNNGSSA-N 2 2 307.441 3.444 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000376602736 433787002 /nfs/dbraw/zinc/78/70/02/433787002.db2.gz RRXRGIXVYFGUGI-INIZCTEOSA-N 2 2 310.401 3.007 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000376602736 433787009 /nfs/dbraw/zinc/78/70/09/433787009.db2.gz RRXRGIXVYFGUGI-INIZCTEOSA-N 2 2 310.401 3.007 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)no1 ZINC000283877741 433791990 /nfs/dbraw/zinc/79/19/90/433791990.db2.gz CBZKEZLHILRHEM-SJLPKXTDSA-N 2 2 313.445 3.198 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877741 433792000 /nfs/dbraw/zinc/79/20/00/433792000.db2.gz CBZKEZLHILRHEM-SJLPKXTDSA-N 2 2 313.445 3.198 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@](C)(C[NH3+])C2CC2)cs1 ZINC000430543260 433794736 /nfs/dbraw/zinc/79/47/36/433794736.db2.gz DUOSUDYULKVPGA-QGZVFWFLSA-N 2 2 317.458 3.036 20 0 DGADLP COCC(C)(C)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449789220 433802007 /nfs/dbraw/zinc/80/20/07/433802007.db2.gz ZFSUOUMKMDJHBA-UHFFFAOYSA-N 2 2 310.404 3.008 20 0 DGADLP COCC(C)(C)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449789220 433802019 /nfs/dbraw/zinc/80/20/19/433802019.db2.gz ZFSUOUMKMDJHBA-UHFFFAOYSA-N 2 2 310.404 3.008 20 0 DGADLP Cc1cc(N2CCC[N@H+](CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000301944648 433803991 /nfs/dbraw/zinc/80/39/91/433803991.db2.gz WUSCNTSNYYVURD-UHFFFAOYSA-N 2 2 305.372 3.320 20 0 DGADLP CCC[N@H+](C)CC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000356985157 433803925 /nfs/dbraw/zinc/80/39/25/433803925.db2.gz PMRKDZQGSVVZDT-HNNXBMFYSA-N 2 2 318.465 3.049 20 0 DGADLP CCC[N@@H+](C)CC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000356985157 433803935 /nfs/dbraw/zinc/80/39/35/433803935.db2.gz PMRKDZQGSVVZDT-HNNXBMFYSA-N 2 2 318.465 3.049 20 0 DGADLP Cc1cc(N2CCC[N@@H+](CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000301944648 433804005 /nfs/dbraw/zinc/80/40/05/433804005.db2.gz WUSCNTSNYYVURD-UHFFFAOYSA-N 2 2 305.372 3.320 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000343441068 433806633 /nfs/dbraw/zinc/80/66/33/433806633.db2.gz IPFXYTGVBQZBCN-BDXSIMOUSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000343441068 433806644 /nfs/dbraw/zinc/80/66/44/433806644.db2.gz IPFXYTGVBQZBCN-BDXSIMOUSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000284012840 433814072 /nfs/dbraw/zinc/81/40/72/433814072.db2.gz HIJQQWNNXDOIDE-IBGZPJMESA-N 2 2 311.429 3.162 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000284012840 433814082 /nfs/dbraw/zinc/81/40/82/433814082.db2.gz HIJQQWNNXDOIDE-IBGZPJMESA-N 2 2 311.429 3.162 20 0 DGADLP CC[C@H]1C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000362676554 433815778 /nfs/dbraw/zinc/81/57/78/433815778.db2.gz VCRFJBKETSZJLE-AWEZNQCLSA-N 2 2 319.836 3.411 20 0 DGADLP CC[C@H]1C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000362676554 433815791 /nfs/dbraw/zinc/81/57/91/433815791.db2.gz VCRFJBKETSZJLE-AWEZNQCLSA-N 2 2 319.836 3.411 20 0 DGADLP C[N@H+](CC[NH2+]C(C)(C)C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414753488 433816798 /nfs/dbraw/zinc/81/67/98/433816798.db2.gz DSXVXGZWLVJNAZ-SJORKVTESA-N 2 2 308.441 3.366 20 0 DGADLP C[N@@H+](CC[NH2+]C(C)(C)C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414753488 433816806 /nfs/dbraw/zinc/81/68/06/433816806.db2.gz DSXVXGZWLVJNAZ-SJORKVTESA-N 2 2 308.441 3.366 20 0 DGADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414759036 433818336 /nfs/dbraw/zinc/81/83/36/433818336.db2.gz WARREUQOIKPDBN-MRXNPFEDSA-N 2 2 314.477 3.197 20 0 DGADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414759036 433818348 /nfs/dbraw/zinc/81/83/48/433818348.db2.gz WARREUQOIKPDBN-MRXNPFEDSA-N 2 2 314.477 3.197 20 0 DGADLP Clc1c[nH+]ccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000339845028 433818480 /nfs/dbraw/zinc/81/84/80/433818480.db2.gz GNOGFNSBKOUUAC-UHFFFAOYSA-N 2 2 301.821 3.100 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1Br ZINC000414839710 433873023 /nfs/dbraw/zinc/87/30/23/433873023.db2.gz MKQBZLGJZAHZJH-VIFPVBQESA-N 2 2 305.647 3.048 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OCC ZINC000414837688 433874829 /nfs/dbraw/zinc/87/48/29/433874829.db2.gz UXGGYINOIYWMTN-QGZVFWFLSA-N 2 2 314.429 3.274 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC3(C)C)[nH+]c2)CC1 ZINC000284286091 433875082 /nfs/dbraw/zinc/87/50/82/433875082.db2.gz KBEMSMVOSAYKLL-MRXNPFEDSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H](CO)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719249 433832326 /nfs/dbraw/zinc/83/23/26/433832326.db2.gz HUOATPUPOBNRSC-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CO)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719249 433832333 /nfs/dbraw/zinc/83/23/33/433832333.db2.gz HUOATPUPOBNRSC-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000293720696 433840737 /nfs/dbraw/zinc/84/07/37/433840737.db2.gz TXJQNFJFMWVIGF-IBGZPJMESA-N 2 2 323.440 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000293720696 433840748 /nfs/dbraw/zinc/84/07/48/433840748.db2.gz TXJQNFJFMWVIGF-IBGZPJMESA-N 2 2 323.440 3.263 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000362754586 433846716 /nfs/dbraw/zinc/84/67/16/433846716.db2.gz YBWAKGGZVKWFHM-IEBWSBKVSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000362754586 433846724 /nfs/dbraw/zinc/84/67/24/433846724.db2.gz YBWAKGGZVKWFHM-IEBWSBKVSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754586 433846733 /nfs/dbraw/zinc/84/67/33/433846733.db2.gz YBWAKGGZVKWFHM-IEBWSBKVSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362754586 433846736 /nfs/dbraw/zinc/84/67/36/433846736.db2.gz YBWAKGGZVKWFHM-IEBWSBKVSA-N 3 2 318.509 3.168 20 0 DGADLP CC[N@H+](CCC1CC[NH+](CCn2cc[nH+]c2C)CC1)CC1CC1 ZINC000357088387 433856745 /nfs/dbraw/zinc/85/67/45/433856745.db2.gz SKLJTFMCJMZLCS-UHFFFAOYSA-N 3 2 318.509 3.026 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](CCn2cc[nH+]c2C)CC1)CC1CC1 ZINC000357088387 433856753 /nfs/dbraw/zinc/85/67/53/433856753.db2.gz SKLJTFMCJMZLCS-UHFFFAOYSA-N 3 2 318.509 3.026 20 0 DGADLP OC1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000284213002 433860854 /nfs/dbraw/zinc/86/08/54/433860854.db2.gz CIKHANLGGXJQFN-UHFFFAOYSA-N 2 2 322.880 3.199 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000344303707 433862736 /nfs/dbraw/zinc/86/27/36/433862736.db2.gz VZAXFQFLUQKIQL-MAZHCROVSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000344303707 433862743 /nfs/dbraw/zinc/86/27/43/433862743.db2.gz VZAXFQFLUQKIQL-MAZHCROVSA-N 2 2 308.853 3.484 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC(F)F ZINC000414831635 433865502 /nfs/dbraw/zinc/86/55/02/433865502.db2.gz NHMIFSJZWXEQHM-CQSZACIVSA-N 2 2 322.355 3.086 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000414831209 433868150 /nfs/dbraw/zinc/86/81/50/433868150.db2.gz MVMQRXWJRPXFMC-KRWDZBQOSA-N 2 2 314.429 3.274 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414833366 433868219 /nfs/dbraw/zinc/86/82/19/433868219.db2.gz ANHHPGMCYYHNQY-PKOBYXMFSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833366 433868232 /nfs/dbraw/zinc/86/82/32/433868232.db2.gz ANHHPGMCYYHNQY-PKOBYXMFSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414895116 433902741 /nfs/dbraw/zinc/90/27/41/433902741.db2.gz MIGBFQXLBOCJJW-IAGOWNOFSA-N 2 2 304.434 3.431 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000293877141 433904759 /nfs/dbraw/zinc/90/47/59/433904759.db2.gz YMTRRRUXDTYVEF-NEPJUHHUSA-N 2 2 314.857 3.206 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414900545 433910750 /nfs/dbraw/zinc/91/07/50/433910750.db2.gz DOBOEXHJBPMNDP-MRXNPFEDSA-N 3 2 321.896 3.036 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3c(cccc3F)[nH]1)CCC2 ZINC000436245407 433914970 /nfs/dbraw/zinc/91/49/70/433914970.db2.gz MWJWUHLAHQSBBB-ZDUSSCGKSA-N 2 2 312.392 3.479 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414926765 433919654 /nfs/dbraw/zinc/91/96/54/433919654.db2.gz KTUSKXLUQRHEPU-HNNXBMFYSA-N 2 2 316.474 3.073 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414955891 433935859 /nfs/dbraw/zinc/93/58/59/433935859.db2.gz UWLGLQCMGJIZIN-YOEHRIQHSA-N 3 2 321.896 3.035 20 0 DGADLP C[C@@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414942064 433932250 /nfs/dbraw/zinc/93/22/50/433932250.db2.gz JOLAMZLRTBDHOS-INIZCTEOSA-N 2 2 320.440 3.035 20 0 DGADLP CCn1nc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1C ZINC000414842563 433878737 /nfs/dbraw/zinc/87/87/37/433878737.db2.gz ISMXMUCPJDPIDW-LJQANCHMSA-N 2 2 314.477 3.433 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000414841177 433879368 /nfs/dbraw/zinc/87/93/68/433879368.db2.gz XZUVCTSCCDOQCB-KBXCAEBGSA-N 2 2 316.420 3.303 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000435876772 433880504 /nfs/dbraw/zinc/88/05/04/433880504.db2.gz KLCRIISRTDRZSS-KRWDZBQOSA-N 2 2 300.450 3.364 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000435876772 433880514 /nfs/dbraw/zinc/88/05/14/433880514.db2.gz KLCRIISRTDRZSS-KRWDZBQOSA-N 2 2 300.450 3.364 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414854307 433882467 /nfs/dbraw/zinc/88/24/67/433882467.db2.gz UTWNCESFYYCRNT-KRWDZBQOSA-N 2 2 323.912 3.267 20 0 DGADLP CCOc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc(Cl)c1OC ZINC000414855599 433886948 /nfs/dbraw/zinc/88/69/48/433886948.db2.gz XFKINEVWALKMPP-ZDUSSCGKSA-N 2 2 314.857 3.210 20 0 DGADLP Fc1ccc(COc2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414861457 433891013 /nfs/dbraw/zinc/89/10/13/433891013.db2.gz FORCFIWLRDHYSN-SFHVURJKSA-N 2 2 314.404 3.246 20 0 DGADLP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000414865200 433891414 /nfs/dbraw/zinc/89/14/14/433891414.db2.gz CXCCMQCCKOBOQD-LLVKDONJSA-N 2 2 312.257 3.176 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCSC1 ZINC000436298412 433934904 /nfs/dbraw/zinc/93/49/04/433934904.db2.gz ZLMGYGRPVAXRSD-QYZOEREBSA-N 2 2 318.530 3.425 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414862979 433892491 /nfs/dbraw/zinc/89/24/91/433892491.db2.gz XTEHRGNVRZGUQY-UKRRQHHQSA-N 2 2 301.459 3.288 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705623 433942224 /nfs/dbraw/zinc/94/22/24/433942224.db2.gz CLFJHWMCAMYZBR-RBUKOAKNSA-N 3 2 301.478 3.032 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]CC2(C)COC2)c2ccccc2)CC1 ZINC000285416987 433944161 /nfs/dbraw/zinc/94/41/61/433944161.db2.gz JMCCPMKKCZOSJL-GOSISDBHSA-N 2 2 302.462 3.086 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000414969779 433946974 /nfs/dbraw/zinc/94/69/74/433946974.db2.gz UAZQFQBWVVKCJD-OXQOHEQNSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000414969779 433946985 /nfs/dbraw/zinc/94/69/85/433946985.db2.gz UAZQFQBWVVKCJD-OXQOHEQNSA-N 2 2 309.457 3.187 20 0 DGADLP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725257 433949313 /nfs/dbraw/zinc/94/93/13/433949313.db2.gz AZRLKGSLFXLVSA-YOEHRIQHSA-N 2 2 318.461 3.247 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000422727794 433954573 /nfs/dbraw/zinc/95/45/73/433954573.db2.gz HXPUJRWFVFIZOQ-IPMKNSEASA-N 2 2 313.420 3.163 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422727560 433956188 /nfs/dbraw/zinc/95/61/88/433956188.db2.gz CZCAJKVXWHMSSJ-JSGCOSHPSA-N 2 2 316.367 3.248 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000340173863 433958404 /nfs/dbraw/zinc/95/84/04/433958404.db2.gz PKUVVENHXAFSBC-ROUUACIJSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000340173863 433958412 /nfs/dbraw/zinc/95/84/12/433958412.db2.gz PKUVVENHXAFSBC-ROUUACIJSA-N 2 2 311.429 3.015 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC000436402213 433958525 /nfs/dbraw/zinc/95/85/25/433958525.db2.gz UQQZTBVLPJZNRB-SUMWQHHRSA-N 2 2 319.880 3.304 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC000436402213 433958535 /nfs/dbraw/zinc/95/85/35/433958535.db2.gz UQQZTBVLPJZNRB-SUMWQHHRSA-N 2 2 319.880 3.304 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739040 433958579 /nfs/dbraw/zinc/95/85/79/433958579.db2.gz ZUMALIIZPCESTI-LPHOPBHVSA-N 3 2 317.521 3.176 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739040 433958590 /nfs/dbraw/zinc/95/85/90/433958590.db2.gz ZUMALIIZPCESTI-LPHOPBHVSA-N 3 2 317.521 3.176 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422739494 433962772 /nfs/dbraw/zinc/96/27/72/433962772.db2.gz LMDWTHZYMQZJNW-YZGWKJHDSA-N 3 2 315.505 3.190 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422739494 433962782 /nfs/dbraw/zinc/96/27/82/433962782.db2.gz LMDWTHZYMQZJNW-YZGWKJHDSA-N 3 2 315.505 3.190 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422733047 433963272 /nfs/dbraw/zinc/96/32/72/433963272.db2.gz AQKXRLINKDKLIG-FCGDIQPGSA-N 3 2 307.526 3.151 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422733047 433963283 /nfs/dbraw/zinc/96/32/83/433963283.db2.gz AQKXRLINKDKLIG-FCGDIQPGSA-N 3 2 307.526 3.151 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000422741438 433964497 /nfs/dbraw/zinc/96/44/97/433964497.db2.gz DPKPGQTUQSFYAI-IIDMSEBBSA-N 2 2 323.912 3.311 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000414997589 433967561 /nfs/dbraw/zinc/96/75/61/433967561.db2.gz HNLDGVWOVPKWIQ-WMLDXEAASA-N 2 2 319.449 3.074 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000422749209 433972700 /nfs/dbraw/zinc/97/27/00/433972700.db2.gz XZXNEODYLSKSEF-JKSUJKDBSA-N 3 2 309.523 3.238 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCC1)c1ccccc1 ZINC000422760686 433977432 /nfs/dbraw/zinc/97/74/32/433977432.db2.gz LDNMDCBBYDPSAV-QXAKKESOSA-N 3 2 315.505 3.367 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756457 433984616 /nfs/dbraw/zinc/98/46/16/433984616.db2.gz AWAWHUXQLPPEIL-CEXWTWQISA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756457 433984624 /nfs/dbraw/zinc/98/46/24/433984624.db2.gz AWAWHUXQLPPEIL-CEXWTWQISA-N 2 2 324.472 3.108 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000303392640 433937129 /nfs/dbraw/zinc/93/71/29/433937129.db2.gz DVRKYVDQRYMXIB-APWZRJJASA-N 2 2 310.441 3.187 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000303392640 433937134 /nfs/dbraw/zinc/93/71/34/433937134.db2.gz DVRKYVDQRYMXIB-APWZRJJASA-N 2 2 310.441 3.187 20 0 DGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000362978215 433938701 /nfs/dbraw/zinc/93/87/01/433938701.db2.gz YDTBDESSVZIYOE-KDOFPFPSSA-N 2 2 301.434 3.331 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000362973121 433939877 /nfs/dbraw/zinc/93/98/77/433939877.db2.gz SAGPWCIKDNLBIT-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000362973121 433939886 /nfs/dbraw/zinc/93/98/86/433939886.db2.gz SAGPWCIKDNLBIT-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CCn1ccnc1[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000294115042 434004004 /nfs/dbraw/zinc/00/40/04/434004004.db2.gz NCGHUDJWMMLIJD-MRXNPFEDSA-N 2 2 301.438 3.025 20 0 DGADLP CCn1ccnc1[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000294115042 434004012 /nfs/dbraw/zinc/00/40/12/434004012.db2.gz NCGHUDJWMMLIJD-MRXNPFEDSA-N 2 2 301.438 3.025 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422788854 434006150 /nfs/dbraw/zinc/00/61/50/434006150.db2.gz NSBFLHSCPFIQRO-FXAWDEMLSA-N 3 2 315.505 3.293 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340236798 434007631 /nfs/dbraw/zinc/00/76/31/434007631.db2.gz QQIXJLZKFSOYQE-WBVHZDCISA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340236798 434007637 /nfs/dbraw/zinc/00/76/37/434007637.db2.gz QQIXJLZKFSOYQE-WBVHZDCISA-N 2 2 301.459 3.377 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CCC2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340243879 434009758 /nfs/dbraw/zinc/00/97/58/434009758.db2.gz VGMITONWJYJVBM-YLJYHZDGSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CCC2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340243879 434009764 /nfs/dbraw/zinc/00/97/64/434009764.db2.gz VGMITONWJYJVBM-YLJYHZDGSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422799127 434010354 /nfs/dbraw/zinc/01/03/54/434010354.db2.gz VIGWMCPEWMLDHL-SNVBAGLBSA-N 2 2 311.307 3.244 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3ccccc3[nH]c1=O)CCC2 ZINC000377831046 434011550 /nfs/dbraw/zinc/01/15/50/434011550.db2.gz JGSHJUZNCARLEZ-HNNXBMFYSA-N 2 2 322.412 3.113 20 0 DGADLP COCCC[NH+]1CCC(Nc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000340251242 434016603 /nfs/dbraw/zinc/01/66/03/434016603.db2.gz CKYJICVDKMGTSK-UHFFFAOYSA-N 2 2 317.408 3.287 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422803034 434016610 /nfs/dbraw/zinc/01/66/10/434016610.db2.gz CHSFJUZUMXFMMB-KGLIPLIRSA-N 2 2 315.230 3.338 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C[C@@H]1c1ccccc1 ZINC000340253066 434018077 /nfs/dbraw/zinc/01/80/77/434018077.db2.gz MICLEAIXOWBLLR-CEXWTWQISA-N 3 2 324.472 3.186 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C[C@@H]1c1ccccc1 ZINC000340253066 434018088 /nfs/dbraw/zinc/01/80/88/434018088.db2.gz MICLEAIXOWBLLR-CEXWTWQISA-N 3 2 324.472 3.186 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806840 434020113 /nfs/dbraw/zinc/02/01/13/434020113.db2.gz NXMYZFFEHMHBSK-BRWVUGGUSA-N 2 2 301.459 3.085 20 0 DGADLP C[C@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000397302639 293845463 /nfs/dbraw/zinc/84/54/63/293845463.db2.gz LBFXHTSVIBMYBL-ONGXEEELSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000422826687 434029283 /nfs/dbraw/zinc/02/92/83/434029283.db2.gz LTAXUSATADOCGH-AQNXPRMDSA-N 2 2 315.505 3.382 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000422828697 434033894 /nfs/dbraw/zinc/03/38/94/434033894.db2.gz GJXWEKBBWBKRDQ-MHJFOBGBSA-N 3 2 317.521 3.047 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833845 434037102 /nfs/dbraw/zinc/03/71/02/434037102.db2.gz WRLJMPRBULYJNR-RBUKOAKNSA-N 3 2 301.478 3.032 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422838576 434039010 /nfs/dbraw/zinc/03/90/10/434039010.db2.gz XNTXAMWSDDNLDW-ZCNNSNEGSA-N 3 2 317.521 3.189 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422838573 434039717 /nfs/dbraw/zinc/03/97/17/434039717.db2.gz XNTXAMWSDDNLDW-SLFFLAALSA-N 3 2 317.521 3.189 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000352310796 434039974 /nfs/dbraw/zinc/03/99/74/434039974.db2.gz NPTVOXWPKQQQSG-MRXNPFEDSA-N 2 2 323.506 3.301 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000352310796 434039986 /nfs/dbraw/zinc/03/99/86/434039986.db2.gz NPTVOXWPKQQQSG-MRXNPFEDSA-N 2 2 323.506 3.301 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000400765737 293866585 /nfs/dbraw/zinc/86/65/85/293866585.db2.gz ZEZASIIPOROVGZ-UZLBHIALSA-N 2 2 310.441 3.496 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000305107284 434040929 /nfs/dbraw/zinc/04/09/29/434040929.db2.gz DLLFNERPTJZRGF-WBVHZDCISA-N 2 2 314.429 3.052 20 0 DGADLP CCc1cnc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422782214 433995345 /nfs/dbraw/zinc/99/53/45/433995345.db2.gz FYXXFIRGCFCPOO-HOCLYGCPSA-N 2 2 301.459 3.288 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363217982 433997055 /nfs/dbraw/zinc/99/70/55/433997055.db2.gz DINYWKJKMRIKNF-HZPDHXFCSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363217982 433997058 /nfs/dbraw/zinc/99/70/58/433997058.db2.gz DINYWKJKMRIKNF-HZPDHXFCSA-N 2 2 321.896 3.113 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787527 433999945 /nfs/dbraw/zinc/99/99/45/433999945.db2.gz RLATZWDHAOILJQ-VFVRVIDISA-N 2 2 316.424 3.111 20 0 DGADLP OCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000304315611 434000773 /nfs/dbraw/zinc/00/07/73/434000773.db2.gz SAMGFPKRLFTVRN-LJQANCHMSA-N 2 2 307.397 3.086 20 0 DGADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000285789102 434069203 /nfs/dbraw/zinc/06/92/03/434069203.db2.gz UQNTVCZOGXOIPN-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422875498 434072236 /nfs/dbraw/zinc/07/22/36/434072236.db2.gz OVFNDTHIDFHPMC-NSHDSACASA-N 2 2 307.344 3.255 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874482 434074067 /nfs/dbraw/zinc/07/40/67/434074067.db2.gz DASOZPGIIAUGDR-ZWOKBUDYSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874482 434074075 /nfs/dbraw/zinc/07/40/75/434074075.db2.gz DASOZPGIIAUGDR-ZWOKBUDYSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000422878360 434075945 /nfs/dbraw/zinc/07/59/45/434075945.db2.gz STHPGTQQLAWIKZ-NIKGAXFTSA-N 2 2 320.452 3.414 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302615 434077279 /nfs/dbraw/zinc/07/72/79/434077279.db2.gz PZKWPTBAVYCLMY-CZUORRHYSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302615 434077284 /nfs/dbraw/zinc/07/72/84/434077284.db2.gz PZKWPTBAVYCLMY-CZUORRHYSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000294302615 434077291 /nfs/dbraw/zinc/07/72/91/434077291.db2.gz PZKWPTBAVYCLMY-CZUORRHYSA-N 2 2 320.864 3.494 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000422884077 434080675 /nfs/dbraw/zinc/08/06/75/434080675.db2.gz RPNPOZYTEXHEFS-SWLSCSKDSA-N 2 2 316.367 3.248 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422884075 434081843 /nfs/dbraw/zinc/08/18/43/434081843.db2.gz RPNPOZYTEXHEFS-DOMZBBRYSA-N 2 2 316.367 3.248 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885784 434082381 /nfs/dbraw/zinc/08/23/81/434082381.db2.gz VJDHCYUBBYXENI-HLIPFELVSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885784 434082387 /nfs/dbraw/zinc/08/23/87/434082387.db2.gz VJDHCYUBBYXENI-HLIPFELVSA-N 3 2 315.505 3.006 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422884620 434082752 /nfs/dbraw/zinc/08/27/52/434082752.db2.gz SGLQHYAOSRXNMN-PBHICJAKSA-N 2 2 303.450 3.045 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000340356588 434085290 /nfs/dbraw/zinc/08/52/90/434085290.db2.gz QBTNQLSMWKIZDF-QZTJIDSGSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000340356588 434085295 /nfs/dbraw/zinc/08/52/95/434085295.db2.gz QBTNQLSMWKIZDF-QZTJIDSGSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccco2)C[C@@H]1c1ccccc1 ZINC000340362155 434086803 /nfs/dbraw/zinc/08/68/03/434086803.db2.gz NOGAOYZKKOEWNC-OKZBNKHCSA-N 2 2 314.429 3.128 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(OC(F)F)c1 ZINC000422891318 434087305 /nfs/dbraw/zinc/08/73/05/434087305.db2.gz VDWISWXFIKPKGG-UONOGXRCSA-N 2 2 314.376 3.046 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccsc2)C[C@H]1c1ccccc1 ZINC000340362349 434089095 /nfs/dbraw/zinc/08/90/95/434089095.db2.gz WBEJIFOHSHSBNQ-KSZLIROESA-N 2 2 316.470 3.207 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccsc2)C[C@H]1c1ccccc1 ZINC000340362349 434089106 /nfs/dbraw/zinc/08/91/06/434089106.db2.gz WBEJIFOHSHSBNQ-KSZLIROESA-N 2 2 316.470 3.207 20 0 DGADLP CSCc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000294336282 434090172 /nfs/dbraw/zinc/09/01/72/434090172.db2.gz RWRCSJJYFNYSQB-TZMCWYRMSA-N 2 2 322.503 3.286 20 0 DGADLP CSCc1cnc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000294336282 434090181 /nfs/dbraw/zinc/09/01/81/434090181.db2.gz RWRCSJJYFNYSQB-TZMCWYRMSA-N 2 2 322.503 3.286 20 0 DGADLP CC(C)c1csc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422895625 434094084 /nfs/dbraw/zinc/09/40/84/434094084.db2.gz WJTMWVVVDQKIGR-DZGCQCFKSA-N 2 2 303.475 3.315 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346076739 434098825 /nfs/dbraw/zinc/09/88/25/434098825.db2.gz AVALLLYKZGUKOL-QAPCUYQASA-N 2 2 323.440 3.423 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346076739 434098833 /nfs/dbraw/zinc/09/88/33/434098833.db2.gz AVALLLYKZGUKOL-QAPCUYQASA-N 2 2 323.440 3.423 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842241 434048696 /nfs/dbraw/zinc/04/86/96/434048696.db2.gz FMCVVFWUXGEAEL-SUMWQHHRSA-N 2 2 315.392 3.101 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352808425 434050795 /nfs/dbraw/zinc/05/07/95/434050795.db2.gz CLPUTTQLYAPGIR-BEKAIBRUSA-N 2 2 314.473 3.430 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352808425 434050807 /nfs/dbraw/zinc/05/08/07/434050807.db2.gz CLPUTTQLYAPGIR-BEKAIBRUSA-N 2 2 314.473 3.430 20 0 DGADLP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422851039 434052444 /nfs/dbraw/zinc/05/24/44/434052444.db2.gz DWQOBVSZVVDXKL-AEFFLSMTSA-N 2 2 320.477 3.031 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422853707 434055051 /nfs/dbraw/zinc/05/50/51/434055051.db2.gz CDCGQWRPMPXLDM-HZMBPMFUSA-N 2 2 304.331 3.465 20 0 DGADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422863732 434059710 /nfs/dbraw/zinc/05/97/10/434059710.db2.gz LSZRVNKVAUDWSA-ROUUACIJSA-N 2 2 320.477 3.031 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422909688 434103358 /nfs/dbraw/zinc/10/33/58/434103358.db2.gz ORYSDQFELCTOKD-NEWSRXKRSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909688 434103367 /nfs/dbraw/zinc/10/33/67/434103367.db2.gz ORYSDQFELCTOKD-NEWSRXKRSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000309870926 434103420 /nfs/dbraw/zinc/10/34/20/434103420.db2.gz GQNGBOKEDOPNKO-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000309870926 434103430 /nfs/dbraw/zinc/10/34/30/434103430.db2.gz GQNGBOKEDOPNKO-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCC[NH2+]1 ZINC000422926736 434111598 /nfs/dbraw/zinc/11/15/98/434111598.db2.gz DTLQSGZBAZANHR-SWLSCSKDSA-N 2 2 324.852 3.122 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643659 434113911 /nfs/dbraw/zinc/11/39/11/434113911.db2.gz AEEYESPETBOJTD-MRXNPFEDSA-N 2 2 312.457 3.289 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643659 434113918 /nfs/dbraw/zinc/11/39/18/434113918.db2.gz AEEYESPETBOJTD-MRXNPFEDSA-N 2 2 312.457 3.289 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921264 434114301 /nfs/dbraw/zinc/11/43/01/434114301.db2.gz PKFRZPDORKOBCN-QWHCGFSZSA-N 2 2 302.340 3.177 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)c(C)c1OC ZINC000285953837 434115782 /nfs/dbraw/zinc/11/57/82/434115782.db2.gz GHGPTYGONLNPNW-ZIAGYGMSSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)c(C)c1OC ZINC000285953837 434115792 /nfs/dbraw/zinc/11/57/92/434115792.db2.gz GHGPTYGONLNPNW-ZIAGYGMSSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H](C)c3c[nH+]ccc3N)o2)cs1 ZINC000422930004 434118956 /nfs/dbraw/zinc/11/89/56/434118956.db2.gz ARGZEHQYJCWUQQ-JTQLQIEISA-N 2 2 314.414 3.370 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000422932102 434119609 /nfs/dbraw/zinc/11/96/09/434119609.db2.gz YUUWDDXZDDDXNN-APWZRJJASA-N 2 2 314.404 3.417 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000497179030 294010962 /nfs/dbraw/zinc/01/09/62/294010962.db2.gz QERLLAJGKLJQBG-LSDHHAIUSA-N 2 2 321.465 3.214 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000497862424 294043808 /nfs/dbraw/zinc/04/38/08/294043808.db2.gz ZQKVESFJPXXLHB-SFHVURJKSA-N 2 2 318.509 3.440 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422909689 434101979 /nfs/dbraw/zinc/10/19/79/434101979.db2.gz ORYSDQFELCTOKD-NZSAHSFTSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909689 434101985 /nfs/dbraw/zinc/10/19/85/434101985.db2.gz ORYSDQFELCTOKD-NZSAHSFTSA-N 3 2 307.526 3.009 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936492 434123598 /nfs/dbraw/zinc/12/35/98/434123598.db2.gz IJEAJBISNRXVJS-WMLDXEAASA-N 2 2 318.461 3.247 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000414224686 294107507 /nfs/dbraw/zinc/10/75/07/294107507.db2.gz AVDCWDUSGUTYCE-WFASDCNBSA-N 2 2 322.415 3.196 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501379901 294139747 /nfs/dbraw/zinc/13/97/47/294139747.db2.gz ZQSNGYDVVSMAFR-XLIONFOSSA-N 2 2 318.505 3.472 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501379901 294139749 /nfs/dbraw/zinc/13/97/49/294139749.db2.gz ZQSNGYDVVSMAFR-XLIONFOSSA-N 2 2 318.505 3.472 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359328 434128822 /nfs/dbraw/zinc/12/88/22/434128822.db2.gz GCLDEJJUMQWLQU-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359328 434128833 /nfs/dbraw/zinc/12/88/33/434128833.db2.gz GCLDEJJUMQWLQU-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1sccc1Br ZINC000422945966 434130102 /nfs/dbraw/zinc/13/01/02/434130102.db2.gz NZWMHHMXWNCKNB-GHMZBOCLSA-N 2 2 303.269 3.260 20 0 DGADLP CC[C@H]1CC[C@@H](C)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965779 294336472 /nfs/dbraw/zinc/33/64/72/294336472.db2.gz NFBFMSVMAVARPH-MOPGFXCFSA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@H]1CC[C@@H](C)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965779 294336474 /nfs/dbraw/zinc/33/64/74/294336474.db2.gz NFBFMSVMAVARPH-MOPGFXCFSA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965781 294336621 /nfs/dbraw/zinc/33/66/21/294336621.db2.gz NFBFMSVMAVARPH-RBUKOAKNSA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965781 294336625 /nfs/dbraw/zinc/33/66/25/294336625.db2.gz NFBFMSVMAVARPH-RBUKOAKNSA-N 2 2 315.505 3.462 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509293013 294345408 /nfs/dbraw/zinc/34/54/08/294345408.db2.gz FLEMNRJSIBAVCK-RTBURBONSA-N 2 2 315.505 3.177 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CCCO1 ZINC000313383987 434131555 /nfs/dbraw/zinc/13/15/55/434131555.db2.gz JXBDSANDVYUGSF-LLVKDONJSA-N 2 2 310.850 3.104 20 0 DGADLP CC[C@H]1C[C@H](C)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651432 294359486 /nfs/dbraw/zinc/35/94/86/294359486.db2.gz KNCHQPGOEKCGEY-OALUTQOASA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@H]1C[C@H](C)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651432 294359489 /nfs/dbraw/zinc/35/94/89/294359489.db2.gz KNCHQPGOEKCGEY-OALUTQOASA-N 2 2 315.505 3.319 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CCCO1 ZINC000313383987 434131567 /nfs/dbraw/zinc/13/15/67/434131567.db2.gz JXBDSANDVYUGSF-LLVKDONJSA-N 2 2 310.850 3.104 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])o2)cs1 ZINC000422951075 434134909 /nfs/dbraw/zinc/13/49/09/434134909.db2.gz XKBUPNIAQGMTMK-KBPBESRZSA-N 2 2 305.447 3.461 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422955411 434136105 /nfs/dbraw/zinc/13/61/05/434136105.db2.gz JFMFKTWOYWIROY-YGRLFVJLSA-N 2 2 315.230 3.208 20 0 DGADLP C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340448563 434139439 /nfs/dbraw/zinc/13/94/39/434139439.db2.gz IKIHLMBMPQABDJ-ZIAGYGMSSA-N 2 2 308.385 3.385 20 0 DGADLP COc1cc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc(OC)c1 ZINC000353448915 434140071 /nfs/dbraw/zinc/14/00/71/434140071.db2.gz OSRSUWJSRFVPQW-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP COc1cc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc(OC)c1 ZINC000353448915 434140087 /nfs/dbraw/zinc/14/00/87/434140087.db2.gz OSRSUWJSRFVPQW-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422966040 434143044 /nfs/dbraw/zinc/14/30/44/434143044.db2.gz MQMJCZTUCAFSPH-GBESFXJTSA-N 3 2 324.472 3.273 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@]1(C)CCCO1 ZINC000340470857 434146865 /nfs/dbraw/zinc/14/68/65/434146865.db2.gz RANZERKOISDMBM-KXBFYZLASA-N 2 2 320.452 3.337 20 0 DGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000340474689 434152283 /nfs/dbraw/zinc/15/22/83/434152283.db2.gz METVRJNATRTCEP-HKUYNNGSSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340474689 434152291 /nfs/dbraw/zinc/15/22/91/434152291.db2.gz METVRJNATRTCEP-HKUYNNGSSA-N 2 2 314.477 3.018 20 0 DGADLP COc1cccc2c1cc[nH+]c2N(C)CCCn1cc[nH+]c1C ZINC000450396555 434152780 /nfs/dbraw/zinc/15/27/80/434152780.db2.gz XLIXWRKJIUVGPI-UHFFFAOYSA-N 2 2 310.401 3.275 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000422988708 434154606 /nfs/dbraw/zinc/15/46/06/434154606.db2.gz JUTKNTJUUNJTHM-OTBHMBEGSA-N 2 2 316.489 3.244 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422985078 434155192 /nfs/dbraw/zinc/15/51/92/434155192.db2.gz BZKOUQSIHSICNT-OALUTQOASA-N 3 2 315.505 3.332 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(OC)c1 ZINC000315089879 434157277 /nfs/dbraw/zinc/15/72/77/434157277.db2.gz HGAQFKHZWWYZJI-CQSZACIVSA-N 2 2 303.406 3.031 20 0 DGADLP CCc1cnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173001 434170415 /nfs/dbraw/zinc/17/04/15/434170415.db2.gz PCJOULFAMAWTAA-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173001 434170420 /nfs/dbraw/zinc/17/04/20/434170420.db2.gz PCJOULFAMAWTAA-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000346173001 434170430 /nfs/dbraw/zinc/17/04/30/434170430.db2.gz PCJOULFAMAWTAA-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000346173001 434170437 /nfs/dbraw/zinc/17/04/37/434170437.db2.gz PCJOULFAMAWTAA-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423028615 434172980 /nfs/dbraw/zinc/17/29/80/434172980.db2.gz SSPUPRFONAKWMS-GJYPPUQNSA-N 2 2 304.478 3.098 20 0 DGADLP CCCCn1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)n1 ZINC000423019211 434173923 /nfs/dbraw/zinc/17/39/23/434173923.db2.gz USDRUAPBOUQBGU-BEFAXECRSA-N 2 2 314.477 3.040 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2[nH+]ccn2C(C)C)c1C ZINC000295076782 434181731 /nfs/dbraw/zinc/18/17/31/434181731.db2.gz DBIWPUCZESFBQE-UHFFFAOYSA-N 2 2 302.422 3.116 20 0 DGADLP CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)[C@H]1CCCC[NH2+]1 ZINC000423037724 434181855 /nfs/dbraw/zinc/18/18/55/434181855.db2.gz WYNRRSRYCHLORX-RBUKOAKNSA-N 2 2 312.461 3.191 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C4CC4)C3)sc2C1 ZINC000346187508 434183461 /nfs/dbraw/zinc/18/34/61/434183461.db2.gz BGMJXVUBRZRQSR-AWEZNQCLSA-N 2 2 305.491 3.142 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](C4CC4)C3)sc2C1 ZINC000346187508 434183473 /nfs/dbraw/zinc/18/34/73/434183473.db2.gz BGMJXVUBRZRQSR-AWEZNQCLSA-N 2 2 305.491 3.142 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C4CC4)C3)sc2C1 ZINC000346187508 434183483 /nfs/dbraw/zinc/18/34/83/434183483.db2.gz BGMJXVUBRZRQSR-AWEZNQCLSA-N 2 2 305.491 3.142 20 0 DGADLP COc1ccccc1[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC(C)C ZINC000423046364 434187772 /nfs/dbraw/zinc/18/77/72/434187772.db2.gz DJXFCQXYZZGRMX-KVSKMBFKSA-N 2 2 320.477 3.282 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000346195453 434187983 /nfs/dbraw/zinc/18/79/83/434187983.db2.gz OKDDOSDPWCLIQN-QAPCUYQASA-N 2 2 315.461 3.299 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000316448823 434189312 /nfs/dbraw/zinc/18/93/12/434189312.db2.gz GBUUCOMBIKZXNO-MANSERQUSA-N 3 2 309.542 3.253 20 0 DGADLP COCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C)o1 ZINC000423049899 434189299 /nfs/dbraw/zinc/18/92/99/434189299.db2.gz YIWHNCJHEWHTGM-IXDOHACOSA-N 2 2 300.402 3.400 20 0 DGADLP COCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C)o1 ZINC000423049898 434189753 /nfs/dbraw/zinc/18/97/53/434189753.db2.gz YIWHNCJHEWHTGM-IKGGRYGDSA-N 2 2 300.402 3.400 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000316879286 434193934 /nfs/dbraw/zinc/19/39/34/434193934.db2.gz QYNGATRCACQPNW-HIFRSBDPSA-N 2 2 324.852 3.061 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000316879286 434193945 /nfs/dbraw/zinc/19/39/45/434193945.db2.gz QYNGATRCACQPNW-HIFRSBDPSA-N 2 2 324.852 3.061 20 0 DGADLP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]c2ccncc21 ZINC000286208318 434197414 /nfs/dbraw/zinc/19/74/14/434197414.db2.gz BCSPDSLEWGYVSV-UHFFFAOYSA-N 2 2 310.401 3.181 20 0 DGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]c2ccncc21 ZINC000286208318 434197425 /nfs/dbraw/zinc/19/74/25/434197425.db2.gz BCSPDSLEWGYVSV-UHFFFAOYSA-N 2 2 310.401 3.181 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423060614 434197482 /nfs/dbraw/zinc/19/74/82/434197482.db2.gz IPUIXOKPUKUQKO-MGPUTAFESA-N 2 2 324.472 3.055 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000295102608 434199074 /nfs/dbraw/zinc/19/90/74/434199074.db2.gz SZGJGLAYADVIEP-ZIFCJYIRSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000295102608 434199084 /nfs/dbraw/zinc/19/90/84/434199084.db2.gz SZGJGLAYADVIEP-ZIFCJYIRSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC000423085252 434207510 /nfs/dbraw/zinc/20/75/10/434207510.db2.gz JOCHVGLNALGDOB-LPEHRKFASA-N 2 2 307.385 3.201 20 0 DGADLP Cc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1Br ZINC000423076636 434207627 /nfs/dbraw/zinc/20/76/27/434207627.db2.gz ZNNDAYCGTCFEOR-NSHDSACASA-N 2 2 320.234 3.416 20 0 DGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1F ZINC000423086661 434207861 /nfs/dbraw/zinc/20/78/61/434207861.db2.gz NQVCLUCJSYUDDJ-OWYVNGRQSA-N 2 2 316.342 3.253 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1F ZINC000353542380 434210025 /nfs/dbraw/zinc/21/00/25/434210025.db2.gz KUAXKRUCCYUCCW-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1F ZINC000353542380 434210033 /nfs/dbraw/zinc/21/00/33/434210033.db2.gz KUAXKRUCCYUCCW-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1F ZINC000353542380 434210042 /nfs/dbraw/zinc/21/00/42/434210042.db2.gz KUAXKRUCCYUCCW-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1F ZINC000353542380 434210052 /nfs/dbraw/zinc/21/00/52/434210052.db2.gz KUAXKRUCCYUCCW-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP Fc1cc2[nH+]ccc(NCC[N@@H+]3CCCOCC3)c2cc1Cl ZINC000450474680 434212002 /nfs/dbraw/zinc/21/20/02/434212002.db2.gz RMWHUMZDRRZBAC-UHFFFAOYSA-N 2 2 323.799 3.162 20 0 DGADLP Fc1cc2[nH+]ccc(NCC[N@H+]3CCCOCC3)c2cc1Cl ZINC000450474680 434212011 /nfs/dbraw/zinc/21/20/11/434212011.db2.gz RMWHUMZDRRZBAC-UHFFFAOYSA-N 2 2 323.799 3.162 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100348 434218303 /nfs/dbraw/zinc/21/83/03/434218303.db2.gz GTCHVLWJBVUSND-ZIAGYGMSSA-N 2 2 307.850 3.433 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000353551858 434218857 /nfs/dbraw/zinc/21/88/57/434218857.db2.gz LPGIRYAFZHVRTP-IAGOWNOFSA-N 2 2 318.461 3.001 20 0 DGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000320826306 434242719 /nfs/dbraw/zinc/24/27/19/434242719.db2.gz MYHFJBNGTPCSDK-CQSZACIVSA-N 2 2 316.449 3.124 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000378888256 434254894 /nfs/dbraw/zinc/25/48/94/434254894.db2.gz NQSMSKCLZDOCPB-NBMJBFSESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000378888256 434254901 /nfs/dbraw/zinc/25/49/01/434254901.db2.gz NQSMSKCLZDOCPB-NBMJBFSESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423165684 434255786 /nfs/dbraw/zinc/25/57/86/434255786.db2.gz QBTUYKRLSILDDL-AETAKHFUSA-N 2 2 322.880 3.333 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379647912 434256480 /nfs/dbraw/zinc/25/64/80/434256480.db2.gz LIURXWHGKKCEBX-JENIJYKNSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647912 434256486 /nfs/dbraw/zinc/25/64/86/434256486.db2.gz LIURXWHGKKCEBX-JENIJYKNSA-N 3 2 303.494 3.017 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)c2ccccc21 ZINC000423165463 434256970 /nfs/dbraw/zinc/25/69/70/434256970.db2.gz XYYFTLPSQNVZNV-ZIAGYGMSSA-N 2 2 307.319 3.335 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000340637558 434260377 /nfs/dbraw/zinc/26/03/77/434260377.db2.gz IFQFQBBXXBYYAJ-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000340637558 434260385 /nfs/dbraw/zinc/26/03/85/434260385.db2.gz IFQFQBBXXBYYAJ-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP CC[NH+](CC)Cc1cccc(CNc2cc[nH+]c(C(C)C)n2)c1 ZINC000346726799 434260527 /nfs/dbraw/zinc/26/05/27/434260527.db2.gz UPPCXZTZOVIAMA-UHFFFAOYSA-N 2 2 312.461 4.054 20 0 DGADLP [NH3+]CC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423189731 434271359 /nfs/dbraw/zinc/27/13/59/434271359.db2.gz RHDHLNMATOWKGI-HNNXBMFYSA-N 2 2 312.310 3.482 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423190005 434273384 /nfs/dbraw/zinc/27/33/84/434273384.db2.gz NCWUWKCLESDKIN-WCQYABFASA-N 2 2 302.340 3.030 20 0 DGADLP CSC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423191759 434275041 /nfs/dbraw/zinc/27/50/41/434275041.db2.gz PFDOUYNTKLKBLZ-KGLIPLIRSA-N 2 2 318.408 3.451 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423117083 434228729 /nfs/dbraw/zinc/22/87/29/434228729.db2.gz SWBXCQUCTSZCKZ-NZSAHSFTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423117083 434228741 /nfs/dbraw/zinc/22/87/41/434228741.db2.gz SWBXCQUCTSZCKZ-NZSAHSFTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423114441 434228883 /nfs/dbraw/zinc/22/88/83/434228883.db2.gz VRLYBAKANRLACN-PKFCDNJMSA-N 2 2 315.230 3.379 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792388 434228917 /nfs/dbraw/zinc/22/89/17/434228917.db2.gz ZTWZJNLXFNLPKX-QRVBRYPASA-N 3 2 321.553 3.494 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792388 434228928 /nfs/dbraw/zinc/22/89/28/434228928.db2.gz ZTWZJNLXFNLPKX-QRVBRYPASA-N 3 2 321.553 3.494 20 0 DGADLP c1cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)nc2[nH]1 ZINC000423128364 434239431 /nfs/dbraw/zinc/23/94/31/434239431.db2.gz VTXRXJUDIJJIND-SJLPKXTDSA-N 2 2 306.413 3.146 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000358001889 434279003 /nfs/dbraw/zinc/27/90/03/434279003.db2.gz FQAWSSMMZKSXRK-PBHICJAKSA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000358001889 434279010 /nfs/dbraw/zinc/27/90/10/434279010.db2.gz FQAWSSMMZKSXRK-PBHICJAKSA-N 2 2 318.461 3.056 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000423197339 434279633 /nfs/dbraw/zinc/27/96/33/434279633.db2.gz ZAIBIZANZBBPBH-KBPBESRZSA-N 2 2 309.251 3.086 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000358001892 434280005 /nfs/dbraw/zinc/28/00/05/434280005.db2.gz FQAWSSMMZKSXRK-RHSMWYFYSA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000358001892 434280012 /nfs/dbraw/zinc/28/00/12/434280012.db2.gz FQAWSSMMZKSXRK-RHSMWYFYSA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000358001894 434280198 /nfs/dbraw/zinc/28/01/98/434280198.db2.gz FQAWSSMMZKSXRK-WMLDXEAASA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000358001894 434280204 /nfs/dbraw/zinc/28/02/04/434280204.db2.gz FQAWSSMMZKSXRK-WMLDXEAASA-N 2 2 318.461 3.056 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358004839 434284317 /nfs/dbraw/zinc/28/43/17/434284317.db2.gz LCKPIUJDHBPQEQ-UXPWSPDFSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358004839 434284328 /nfs/dbraw/zinc/28/43/28/434284328.db2.gz LCKPIUJDHBPQEQ-UXPWSPDFSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000358010448 434286197 /nfs/dbraw/zinc/28/61/97/434286197.db2.gz XPYCTOVBEXUQFN-MSOLQXFVSA-N 2 2 304.503 3.164 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000358010448 434286204 /nfs/dbraw/zinc/28/62/04/434286204.db2.gz XPYCTOVBEXUQFN-MSOLQXFVSA-N 2 2 304.503 3.164 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423275198 434333397 /nfs/dbraw/zinc/33/33/97/434333397.db2.gz MVLQJTKUZLBRNC-IFXJQAMLSA-N 2 2 309.413 3.362 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423210946 434287342 /nfs/dbraw/zinc/28/73/42/434287342.db2.gz KHWPAUVHENFMCS-KBPBESRZSA-N 2 2 301.459 3.460 20 0 DGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423220600 434294153 /nfs/dbraw/zinc/29/41/53/434294153.db2.gz YJYJURRYYPXSBU-FZKQIMNGSA-N 2 2 317.383 3.038 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[NH+](C3CC3)C[C@H]2C)c1 ZINC000358030551 434294181 /nfs/dbraw/zinc/29/41/81/434294181.db2.gz ATIFMYSJOKXHNB-OXQOHEQNSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[NH+](C3CC3)C[C@H]2C)c1 ZINC000358030551 434294189 /nfs/dbraw/zinc/29/41/89/434294189.db2.gz ATIFMYSJOKXHNB-OXQOHEQNSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000358030551 434294196 /nfs/dbraw/zinc/29/41/96/434294196.db2.gz ATIFMYSJOKXHNB-OXQOHEQNSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000358030551 434294203 /nfs/dbraw/zinc/29/42/03/434294203.db2.gz ATIFMYSJOKXHNB-OXQOHEQNSA-N 3 2 315.505 3.099 20 0 DGADLP Cc1ccc(C)c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423230800 434301661 /nfs/dbraw/zinc/30/16/61/434301661.db2.gz KDHARFMPYANWSM-MRXNPFEDSA-N 2 2 310.445 3.281 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423240121 434303011 /nfs/dbraw/zinc/30/30/11/434303011.db2.gz KMFZWSMRYMTRPX-SJORKVTESA-N 2 2 304.821 3.317 20 0 DGADLP CCn1cc[nH+]c1[C@H](C)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423234330 434304114 /nfs/dbraw/zinc/30/41/14/434304114.db2.gz FOPDINADGCQLJX-YOEHRIQHSA-N 2 2 300.450 3.377 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423237806 434304604 /nfs/dbraw/zinc/30/46/04/434304604.db2.gz IPQJVXVJVIWDLV-SUMWQHHRSA-N 2 2 300.450 3.297 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)sc1Br ZINC000423235177 434306499 /nfs/dbraw/zinc/30/64/99/434306499.db2.gz MVTSPZIPQTZTKH-NXEZZACHSA-N 2 2 303.269 3.222 20 0 DGADLP Cc1cccc2c1C[N@H+](Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000348404425 434307865 /nfs/dbraw/zinc/30/78/65/434307865.db2.gz FNLAOWNFAJFTBS-UHFFFAOYSA-N 2 2 301.459 3.071 20 0 DGADLP Cc1cccc2c1C[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000348404425 434307873 /nfs/dbraw/zinc/30/78/73/434307873.db2.gz FNLAOWNFAJFTBS-UHFFFAOYSA-N 2 2 301.459 3.071 20 0 DGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000423244853 434310260 /nfs/dbraw/zinc/31/02/60/434310260.db2.gz ODJPTAMQIYNMFF-IRXDYDNUSA-N 2 2 314.429 3.445 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000358062046 434311465 /nfs/dbraw/zinc/31/14/65/434311465.db2.gz MIBODYYNYBLFPO-UHFFFAOYSA-N 2 2 310.401 3.272 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000423248402 434311581 /nfs/dbraw/zinc/31/15/81/434311581.db2.gz RRFMFPUPHBNWOA-ZWKOTPCHSA-N 2 2 312.461 3.211 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423258264 434319137 /nfs/dbraw/zinc/31/91/37/434319137.db2.gz BEQWELVHGXMZRP-KOLCDFICSA-N 2 2 317.296 3.461 20 0 DGADLP COCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C[C@H]1CC=CCC1 ZINC000348436664 434322493 /nfs/dbraw/zinc/32/24/93/434322493.db2.gz MTHMESLJPHGCIS-HNNXBMFYSA-N 2 2 323.506 3.009 20 0 DGADLP COCC[N@H+](Cc1ncc(C[NH+](C)C)s1)C[C@H]1CC=CCC1 ZINC000348436664 434322499 /nfs/dbraw/zinc/32/24/99/434322499.db2.gz MTHMESLJPHGCIS-HNNXBMFYSA-N 2 2 323.506 3.009 20 0 DGADLP CC[C@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000387397305 434322485 /nfs/dbraw/zinc/32/24/85/434322485.db2.gz QDTHZCZMTXFGEK-ZDUSSCGKSA-N 2 2 302.422 3.064 20 0 DGADLP CC[C@H](C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000387397305 434322491 /nfs/dbraw/zinc/32/24/91/434322491.db2.gz QDTHZCZMTXFGEK-ZDUSSCGKSA-N 2 2 302.422 3.064 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000387488840 434324027 /nfs/dbraw/zinc/32/40/27/434324027.db2.gz WMBDFRXNLQKRFA-IPMKNSEASA-N 2 2 302.462 3.371 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000423273654 434329973 /nfs/dbraw/zinc/32/99/73/434329973.db2.gz KUQFQSKSLPTOOW-ZANVPECISA-N 2 2 303.219 3.222 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423272882 434330742 /nfs/dbraw/zinc/33/07/42/434330742.db2.gz KEXVFEGGNLTJBN-RYUDHWBXSA-N 2 2 307.438 3.455 20 0 DGADLP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423196655 434277535 /nfs/dbraw/zinc/27/75/35/434277535.db2.gz VUTSVUKTPGZSDO-ROUUACIJSA-N 2 2 315.848 3.360 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224319 434361294 /nfs/dbraw/zinc/36/12/94/434361294.db2.gz WUGOHSPOAMKRLN-FUHWJXTLSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224319 434361298 /nfs/dbraw/zinc/36/12/98/434361298.db2.gz WUGOHSPOAMKRLN-FUHWJXTLSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224320 434363016 /nfs/dbraw/zinc/36/30/16/434363016.db2.gz WUGOHSPOAMKRLN-SJLPKXTDSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224320 434363024 /nfs/dbraw/zinc/36/30/24/434363024.db2.gz WUGOHSPOAMKRLN-SJLPKXTDSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000423375451 434391333 /nfs/dbraw/zinc/39/13/33/434391333.db2.gz KOVSGXMOOVTRHM-MDZLAQPJSA-N 2 2 306.841 3.018 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348511897 434363651 /nfs/dbraw/zinc/36/36/51/434363651.db2.gz GYSKIKAIPLDCFY-JTQLQIEISA-N 2 2 321.412 3.471 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348511897 434363656 /nfs/dbraw/zinc/36/36/56/434363656.db2.gz GYSKIKAIPLDCFY-JTQLQIEISA-N 2 2 321.412 3.471 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417352617 434363834 /nfs/dbraw/zinc/36/38/34/434363834.db2.gz GNYVVLCRDPYKJR-LBPRGKRZSA-N 2 2 300.368 3.320 20 0 DGADLP Cc1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000295449043 434366472 /nfs/dbraw/zinc/36/64/72/434366472.db2.gz QAXKMLGHBXKDMX-UHFFFAOYSA-N 2 2 301.459 3.337 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccco2)cc1 ZINC000423326705 434366754 /nfs/dbraw/zinc/36/67/54/434366754.db2.gz JQHIQGSGIISROU-RRQGHBQHSA-N 2 2 300.402 3.085 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1Cl ZINC000417375699 434368953 /nfs/dbraw/zinc/36/89/53/434368953.db2.gz CMLMNUAGSMUWGF-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358180045 434370356 /nfs/dbraw/zinc/37/03/56/434370356.db2.gz SEEBZMBUGCEINO-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358180045 434370361 /nfs/dbraw/zinc/37/03/61/434370361.db2.gz SEEBZMBUGCEINO-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423343878 434373418 /nfs/dbraw/zinc/37/34/18/434373418.db2.gz WICWUXGGUHMEFD-QGZVFWFLSA-N 2 2 312.457 3.033 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000358197754 434379190 /nfs/dbraw/zinc/37/91/90/434379190.db2.gz GDIULAPBLGNZIZ-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000358197754 434379205 /nfs/dbraw/zinc/37/92/05/434379205.db2.gz GDIULAPBLGNZIZ-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000423362447 434381333 /nfs/dbraw/zinc/38/13/33/434381333.db2.gz HTWQCPBIYGPPSN-MRXNPFEDSA-N 2 2 312.417 3.313 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000287519827 434383675 /nfs/dbraw/zinc/38/36/75/434383675.db2.gz MQSWRTLIPVRINZ-UHFFFAOYSA-N 2 2 316.449 3.181 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423370461 434383822 /nfs/dbraw/zinc/38/38/22/434383822.db2.gz DMLLBPUHKGQLOG-OTYXRUKQSA-N 2 2 315.230 3.163 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000287519827 434383683 /nfs/dbraw/zinc/38/36/83/434383683.db2.gz MQSWRTLIPVRINZ-UHFFFAOYSA-N 2 2 316.449 3.181 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1C ZINC000353746913 434389272 /nfs/dbraw/zinc/38/92/72/434389272.db2.gz LLIHLNMBMZIKBM-OFQRWUPVSA-N 2 2 323.506 3.299 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1C ZINC000353746913 434389279 /nfs/dbraw/zinc/38/92/79/434389279.db2.gz LLIHLNMBMZIKBM-OFQRWUPVSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1C ZINC000353746913 434389285 /nfs/dbraw/zinc/38/92/85/434389285.db2.gz LLIHLNMBMZIKBM-OFQRWUPVSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1C ZINC000353746913 434389294 /nfs/dbraw/zinc/38/92/94/434389294.db2.gz LLIHLNMBMZIKBM-OFQRWUPVSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423374063 434390903 /nfs/dbraw/zinc/39/09/03/434390903.db2.gz CGPFYCZQLNVELJ-SCZZXKLOSA-N 2 2 303.269 3.086 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000423290213 434344535 /nfs/dbraw/zinc/34/45/35/434344535.db2.gz ZPFWKEUPPULVRF-KRWDZBQOSA-N 2 2 301.409 3.417 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000423294925 434344985 /nfs/dbraw/zinc/34/49/85/434344985.db2.gz VQLOZWWMSUFKIL-CYBMUJFWSA-N 2 2 302.821 3.274 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423288502 434345507 /nfs/dbraw/zinc/34/55/07/434345507.db2.gz SMGXIUVVGKTFQY-CYBMUJFWSA-N 2 2 315.230 3.366 20 0 DGADLP Cc1ccccc1[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000366162673 434347724 /nfs/dbraw/zinc/34/77/24/434347724.db2.gz IBEFTCWCOLRPQD-IEBWSBKVSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162673 434347729 /nfs/dbraw/zinc/34/77/29/434347729.db2.gz IBEFTCWCOLRPQD-IEBWSBKVSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000366162673 434347743 /nfs/dbraw/zinc/34/77/43/434347743.db2.gz IBEFTCWCOLRPQD-IEBWSBKVSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000366162673 434347751 /nfs/dbraw/zinc/34/77/51/434347751.db2.gz IBEFTCWCOLRPQD-IEBWSBKVSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000340768766 434349601 /nfs/dbraw/zinc/34/96/01/434349601.db2.gz BNVOECYCFFOAQK-CRAIPNDOSA-N 2 2 322.456 3.737 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000340768766 434349609 /nfs/dbraw/zinc/34/96/09/434349609.db2.gz BNVOECYCFFOAQK-CRAIPNDOSA-N 2 2 322.456 3.737 20 0 DGADLP Fc1cccc([C@H]([NH2+]CC2C[NH2+]C2)c2cccc(Cl)c2)c1 ZINC000423301264 434350090 /nfs/dbraw/zinc/35/00/90/434350090.db2.gz GYJWBDTWLYUROM-QGZVFWFLSA-N 2 2 304.796 3.378 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423313936 434353484 /nfs/dbraw/zinc/35/34/84/434353484.db2.gz GLXJNRNCCZTSDO-HZMBPMFUSA-N 2 2 305.422 3.337 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000389852245 434353814 /nfs/dbraw/zinc/35/38/14/434353814.db2.gz WSGOJPOKKNYMBO-XPGWFJOJSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000389852245 434353820 /nfs/dbraw/zinc/35/38/20/434353820.db2.gz WSGOJPOKKNYMBO-XPGWFJOJSA-N 2 2 322.452 3.490 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423318503 434357625 /nfs/dbraw/zinc/35/76/25/434357625.db2.gz BUTMDQWEULWDDS-RDJZCZTQSA-N 2 2 310.869 3.192 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423318499 434360376 /nfs/dbraw/zinc/36/03/76/434360376.db2.gz BUTMDQWEULWDDS-DOTOQJQBSA-N 2 2 310.869 3.192 20 0 DGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584018 434360549 /nfs/dbraw/zinc/36/05/49/434360549.db2.gz QUQHVFBHZGEPLO-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584018 434360561 /nfs/dbraw/zinc/36/05/61/434360561.db2.gz QUQHVFBHZGEPLO-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP [NH3+][C@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000423323882 434360820 /nfs/dbraw/zinc/36/08/20/434360820.db2.gz PCAFOEBUBQUMKE-QGZVFWFLSA-N 2 2 302.368 3.381 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000519410073 294766873 /nfs/dbraw/zinc/76/68/73/294766873.db2.gz AEPJXFYJZUZWNH-HNNXBMFYSA-N 2 2 322.880 3.239 20 0 DGADLP OC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348682579 434443013 /nfs/dbraw/zinc/44/30/13/434443013.db2.gz NFTYLABVNGPKCV-AQNXPRMDSA-N 2 2 316.489 3.039 20 0 DGADLP OC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348682579 434443017 /nfs/dbraw/zinc/44/30/17/434443017.db2.gz NFTYLABVNGPKCV-AQNXPRMDSA-N 2 2 316.489 3.039 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535003 434443086 /nfs/dbraw/zinc/44/30/86/434443086.db2.gz MAKOJJSHNJIUNC-HNNXBMFYSA-N 2 2 316.417 3.263 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535003 434443094 /nfs/dbraw/zinc/44/30/94/434443094.db2.gz MAKOJJSHNJIUNC-HNNXBMFYSA-N 2 2 316.417 3.263 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535003 434443101 /nfs/dbraw/zinc/44/31/01/434443101.db2.gz MAKOJJSHNJIUNC-HNNXBMFYSA-N 2 2 316.417 3.263 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)C1 ZINC000366535003 434443109 /nfs/dbraw/zinc/44/31/09/434443109.db2.gz MAKOJJSHNJIUNC-HNNXBMFYSA-N 2 2 316.417 3.263 20 0 DGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000397892086 434447175 /nfs/dbraw/zinc/44/71/75/434447175.db2.gz QDQKEJJIERKNLD-NSHDSACASA-N 2 2 302.340 3.330 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423376483 434393069 /nfs/dbraw/zinc/39/30/69/434393069.db2.gz JLEZPOZKKWLLLV-ZJUUUORDSA-N 2 2 303.219 3.237 20 0 DGADLP CC(C)[C@@H](C[NH2+]CC[C@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000438078570 434393549 /nfs/dbraw/zinc/39/35/49/434393549.db2.gz VXUHQOVPWNDWPP-FXAWDEMLSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@@H](C[NH2+]CC[C@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000438078570 434393558 /nfs/dbraw/zinc/39/35/58/434393558.db2.gz VXUHQOVPWNDWPP-FXAWDEMLSA-N 2 2 316.489 3.086 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748482 434395123 /nfs/dbraw/zinc/39/51/23/434395123.db2.gz PTOISGHOOIXXLL-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748482 434395133 /nfs/dbraw/zinc/39/51/33/434395133.db2.gz PTOISGHOOIXXLL-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748482 434395144 /nfs/dbraw/zinc/39/51/44/434395144.db2.gz PTOISGHOOIXXLL-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748482 434395152 /nfs/dbraw/zinc/39/51/52/434395152.db2.gz PTOISGHOOIXXLL-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC(C)[C@H](C[NH2+]CC[C@@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000438078580 434395174 /nfs/dbraw/zinc/39/51/74/434395174.db2.gz VXUHQOVPWNDWPP-XLIONFOSSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@H](C[NH2+]CC[C@@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000438078580 434395191 /nfs/dbraw/zinc/39/51/91/434395191.db2.gz VXUHQOVPWNDWPP-XLIONFOSSA-N 2 2 316.489 3.086 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423387000 434396755 /nfs/dbraw/zinc/39/67/55/434396755.db2.gz LVNZNQOYJMHOOQ-RBUKOAKNSA-N 2 2 324.472 3.128 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)Cc1ccccc1 ZINC000450763449 434397372 /nfs/dbraw/zinc/39/73/72/434397372.db2.gz PDMSBPGDPKBZIV-RBUKOAKNSA-N 2 2 312.461 3.088 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)Cc1ccccc1 ZINC000450763449 434397380 /nfs/dbraw/zinc/39/73/80/434397380.db2.gz PDMSBPGDPKBZIV-RBUKOAKNSA-N 2 2 312.461 3.088 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000393649538 434398104 /nfs/dbraw/zinc/39/81/04/434398104.db2.gz BLYGCGVWVAXKKZ-AWEZNQCLSA-N 2 2 301.434 3.320 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cnn1C(C)(C)C ZINC000423392403 434402391 /nfs/dbraw/zinc/40/23/91/434402391.db2.gz QKCAXJCIBAJGLQ-BBRMVZONSA-N 2 2 306.498 3.375 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000287588868 434405339 /nfs/dbraw/zinc/40/53/39/434405339.db2.gz RHXMTTUAMSJOLM-CQSZACIVSA-N 2 2 318.465 3.332 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000287588868 434405346 /nfs/dbraw/zinc/40/53/46/434405346.db2.gz RHXMTTUAMSJOLM-CQSZACIVSA-N 2 2 318.465 3.332 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423400696 434406618 /nfs/dbraw/zinc/40/66/18/434406618.db2.gz XAFRONSHXSADPE-CXAGYDPISA-N 2 2 306.450 3.133 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423415647 434410814 /nfs/dbraw/zinc/41/08/14/434410814.db2.gz DZZIBKAEKDRMPO-WOJBJXKFSA-N 2 2 307.441 3.410 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CCC2 ZINC000423414638 434412217 /nfs/dbraw/zinc/41/22/17/434412217.db2.gz CLBHIMPCTYXYJR-RDJZCZTQSA-N 2 2 313.470 3.306 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000423417078 434414879 /nfs/dbraw/zinc/41/48/79/434414879.db2.gz GMRKBKMAXOVSGN-SWLSCSKDSA-N 2 2 316.367 3.125 20 0 DGADLP COc1ccncc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000287634996 434416068 /nfs/dbraw/zinc/41/60/68/434416068.db2.gz FXYPXSVHDVLUTN-CQSZACIVSA-N 2 2 322.412 3.435 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423442524 434424453 /nfs/dbraw/zinc/42/44/53/434424453.db2.gz WTHZFXNJJXWBRG-VQTJNVASSA-N 2 2 307.441 3.399 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(F)cn1 ZINC000287684122 434427570 /nfs/dbraw/zinc/42/75/70/434427570.db2.gz MUQMGJOXAYKSEZ-UONOGXRCSA-N 2 2 309.429 3.144 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCSC1 ZINC000438181295 434430728 /nfs/dbraw/zinc/43/07/28/434430728.db2.gz UXSKYMPVBGSNRZ-UPJWGTAASA-N 2 2 310.429 3.134 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423455501 434432274 /nfs/dbraw/zinc/43/22/74/434432274.db2.gz COOJRZKQRKQBCS-QWHCGFSZSA-N 2 2 306.397 3.436 20 0 DGADLP C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000340917152 434434316 /nfs/dbraw/zinc/43/43/16/434434316.db2.gz NLZTVQGDVPOXFR-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP C[N@H+](Cc1cc(Cl)cc2c1OCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000340917152 434434324 /nfs/dbraw/zinc/43/43/24/434434324.db2.gz NLZTVQGDVPOXFR-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP C[NH+](Cc1cc(Cl)cc2c1OCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000340917152 434434330 /nfs/dbraw/zinc/43/43/30/434434330.db2.gz NLZTVQGDVPOXFR-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP C[NH+](Cc1cc(Cl)cc2c1OCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000340917152 434434338 /nfs/dbraw/zinc/43/43/38/434434338.db2.gz NLZTVQGDVPOXFR-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423463509 434436624 /nfs/dbraw/zinc/43/66/24/434436624.db2.gz LGKSTQKMEBTINM-ORFRNNEJSA-N 3 2 315.505 3.003 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423463509 434436630 /nfs/dbraw/zinc/43/66/30/434436630.db2.gz LGKSTQKMEBTINM-ORFRNNEJSA-N 3 2 315.505 3.003 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423501376 434459487 /nfs/dbraw/zinc/45/94/87/434459487.db2.gz DJGHSDAXDVUYFS-PNHOKKKMSA-N 2 2 323.440 3.051 20 0 DGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502313 434460589 /nfs/dbraw/zinc/46/05/89/434460589.db2.gz FCBSEMNQUHGMNX-KCUHQSDYSA-N 2 2 310.441 3.108 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1Cl ZINC000423522315 434474172 /nfs/dbraw/zinc/47/41/72/434474172.db2.gz RMDWMTOFGHDORQ-CMPLNLGQSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000423522040 434475263 /nfs/dbraw/zinc/47/52/63/434475263.db2.gz REMXNYMAZNZTKR-VHSXEESVSA-N 2 2 321.223 3.162 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000423523240 434477398 /nfs/dbraw/zinc/47/73/98/434477398.db2.gz MZGATGQGBJKDSH-DTWKUNHWSA-N 2 2 323.651 3.286 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353850377 434478610 /nfs/dbraw/zinc/47/86/10/434478610.db2.gz WKNBFKAROWMRGG-ZHALLVOQSA-N 2 2 312.461 3.087 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353850377 434478617 /nfs/dbraw/zinc/47/86/17/434478617.db2.gz WKNBFKAROWMRGG-ZHALLVOQSA-N 2 2 312.461 3.087 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353850375 434478856 /nfs/dbraw/zinc/47/88/56/434478856.db2.gz WKNBFKAROWMRGG-AOIWGVFYSA-N 2 2 312.461 3.087 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353850375 434478867 /nfs/dbraw/zinc/47/88/67/434478867.db2.gz WKNBFKAROWMRGG-AOIWGVFYSA-N 2 2 312.461 3.087 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000399804156 434482907 /nfs/dbraw/zinc/48/29/07/434482907.db2.gz DDQPTDREVNRXNZ-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399804156 434482915 /nfs/dbraw/zinc/48/29/15/434482915.db2.gz DDQPTDREVNRXNZ-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000438325879 434453157 /nfs/dbraw/zinc/45/31/57/434453157.db2.gz NSQCIQXWDXALHB-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000438325879 434453160 /nfs/dbraw/zinc/45/31/60/434453160.db2.gz NSQCIQXWDXALHB-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423494403 434453820 /nfs/dbraw/zinc/45/38/20/434453820.db2.gz RZAQSXRYXTVOCY-WOJBJXKFSA-N 2 2 310.441 3.053 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(Br)s2)[C@H]1CC[NH3+] ZINC000404313291 434510581 /nfs/dbraw/zinc/51/05/81/434510581.db2.gz XYBIINMQVFPTNL-JQWIXIFHSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)[C@H]1CC[NH3+] ZINC000404313291 434510583 /nfs/dbraw/zinc/51/05/83/434510583.db2.gz XYBIINMQVFPTNL-JQWIXIFHSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(Br)c2)[C@H]1CC[NH3+] ZINC000404281268 434510703 /nfs/dbraw/zinc/51/07/03/434510703.db2.gz FFACZFDWQOMOHG-JQWIXIFHSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(Br)c2)[C@H]1CC[NH3+] ZINC000404281268 434510712 /nfs/dbraw/zinc/51/07/12/434510712.db2.gz FFACZFDWQOMOHG-JQWIXIFHSA-N 2 2 317.296 3.460 20 0 DGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2C(F)F)CC1 ZINC000348832638 434512235 /nfs/dbraw/zinc/51/22/35/434512235.db2.gz KBHRTAIHTBJEHB-KRWDZBQOSA-N 2 2 323.431 3.058 20 0 DGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C(F)F)CC1 ZINC000348832638 434512242 /nfs/dbraw/zinc/51/22/42/434512242.db2.gz KBHRTAIHTBJEHB-KRWDZBQOSA-N 2 2 323.431 3.058 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2Cn2cccn2)c[nH+]1 ZINC000353927572 434527070 /nfs/dbraw/zinc/52/70/70/434527070.db2.gz AEPHXXHUDRAXHU-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP C[C@@]1([NH2+]Cc2cc(O)cc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000405980050 434528213 /nfs/dbraw/zinc/52/82/13/434528213.db2.gz ZHHOQMGYMHWHTP-LJQANCHMSA-N 2 2 314.404 3.286 20 0 DGADLP C[C@@]1([NH2+]Cc2cc(O)cc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000405980050 434528222 /nfs/dbraw/zinc/52/82/22/434528222.db2.gz ZHHOQMGYMHWHTP-LJQANCHMSA-N 2 2 314.404 3.286 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000423775042 434528430 /nfs/dbraw/zinc/52/84/30/434528430.db2.gz OLZURLDRWPZUQK-GOOCMWNKSA-N 2 2 324.428 3.244 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)sc2C1 ZINC000348867750 434534135 /nfs/dbraw/zinc/53/41/35/434534135.db2.gz IRFFBMVXENQJJY-JKXDFHQYSA-N 2 2 319.518 3.325 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)sc2C1 ZINC000348867750 434534141 /nfs/dbraw/zinc/53/41/41/434534141.db2.gz IRFFBMVXENQJJY-JKXDFHQYSA-N 2 2 319.518 3.325 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)sc2C1 ZINC000348867750 434534149 /nfs/dbraw/zinc/53/41/49/434534149.db2.gz IRFFBMVXENQJJY-JKXDFHQYSA-N 2 2 319.518 3.325 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2C1 ZINC000348867750 434534153 /nfs/dbraw/zinc/53/41/53/434534153.db2.gz IRFFBMVXENQJJY-JKXDFHQYSA-N 2 2 319.518 3.325 20 0 DGADLP CCn1c[nH+]cc1CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000417904276 434547069 /nfs/dbraw/zinc/54/70/69/434547069.db2.gz ULENTWRNDFNRQH-KRWDZBQOSA-N 2 2 304.482 3.037 20 0 DGADLP CCn1c[nH+]cc1CNC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000417904276 434547074 /nfs/dbraw/zinc/54/70/74/434547074.db2.gz ULENTWRNDFNRQH-KRWDZBQOSA-N 2 2 304.482 3.037 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973825 434553313 /nfs/dbraw/zinc/55/33/13/434553313.db2.gz QSNUSZQPLRTJFW-IAGOWNOFSA-N 2 2 318.461 3.373 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973825 434553318 /nfs/dbraw/zinc/55/33/18/434553318.db2.gz QSNUSZQPLRTJFW-IAGOWNOFSA-N 2 2 318.461 3.373 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000459365348 434569930 /nfs/dbraw/zinc/56/99/30/434569930.db2.gz AWUNKLWPPXGOGN-HNNXBMFYSA-N 2 2 319.836 3.159 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000459365348 434569937 /nfs/dbraw/zinc/56/99/37/434569937.db2.gz AWUNKLWPPXGOGN-HNNXBMFYSA-N 2 2 319.836 3.159 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247890617 295109128 /nfs/dbraw/zinc/10/91/28/295109128.db2.gz FHEZUYLFDPVPAO-ULQDDVLXSA-N 2 2 320.477 3.154 20 0 DGADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000527890501 295145704 /nfs/dbraw/zinc/14/57/04/295145704.db2.gz ILXKJSVUBIXPMB-NHYWBVRUSA-N 2 2 305.784 3.268 20 0 DGADLP COc1ccc[nH+]c1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527910018 295148810 /nfs/dbraw/zinc/14/88/10/295148810.db2.gz KOTGWEXPUOHZOZ-QGZVFWFLSA-N 2 2 311.429 3.049 20 0 DGADLP COc1ccc[nH+]c1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527910018 295148812 /nfs/dbraw/zinc/14/88/12/295148812.db2.gz KOTGWEXPUOHZOZ-QGZVFWFLSA-N 2 2 311.429 3.049 20 0 DGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)OCC ZINC000527928754 295152031 /nfs/dbraw/zinc/15/20/31/295152031.db2.gz GQBAKARKRUNCGU-BHIYHBOVSA-N 2 2 319.493 3.087 20 0 DGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)OCC ZINC000527928754 295152033 /nfs/dbraw/zinc/15/20/33/295152033.db2.gz GQBAKARKRUNCGU-BHIYHBOVSA-N 2 2 319.493 3.087 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)Cc1cccc2[nH+]ccn21 ZINC000349008427 434576171 /nfs/dbraw/zinc/57/61/71/434576171.db2.gz ONCLZTKFGPWDJE-UHFFFAOYSA-N 2 2 300.450 3.032 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000528426007 295212675 /nfs/dbraw/zinc/21/26/75/295212675.db2.gz SPOHKECBIQBKAJ-TZMCWYRMSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000528426007 295212678 /nfs/dbraw/zinc/21/26/78/295212678.db2.gz SPOHKECBIQBKAJ-TZMCWYRMSA-N 2 2 324.350 3.380 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427488 295212840 /nfs/dbraw/zinc/21/28/40/295212840.db2.gz ZSBFLRCLAHBYJL-JCGIZDLHSA-N 2 2 317.408 3.293 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427488 295212841 /nfs/dbraw/zinc/21/28/41/295212841.db2.gz ZSBFLRCLAHBYJL-JCGIZDLHSA-N 2 2 317.408 3.293 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000528491081 295218880 /nfs/dbraw/zinc/21/88/80/295218880.db2.gz YNWWLQBRTFOOPH-CQSZACIVSA-N 2 2 323.318 3.149 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000528491081 295218881 /nfs/dbraw/zinc/21/88/81/295218881.db2.gz YNWWLQBRTFOOPH-CQSZACIVSA-N 2 2 323.318 3.149 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H]1Sc1ccccc1 ZINC000459389073 434575268 /nfs/dbraw/zinc/57/52/68/434575268.db2.gz QFMKTGNCRHFFLV-BZZMCLGOSA-N 2 2 320.502 3.009 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H]1Sc1ccccc1 ZINC000459389073 434575279 /nfs/dbraw/zinc/57/52/79/434575279.db2.gz QFMKTGNCRHFFLV-BZZMCLGOSA-N 2 2 320.502 3.009 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011963 434575278 /nfs/dbraw/zinc/57/52/78/434575278.db2.gz YHWQQEDEHJIGQV-HOCLYGCPSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011963 434575283 /nfs/dbraw/zinc/57/52/83/434575283.db2.gz YHWQQEDEHJIGQV-HOCLYGCPSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011963 434575291 /nfs/dbraw/zinc/57/52/91/434575291.db2.gz YHWQQEDEHJIGQV-HOCLYGCPSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354011963 434575297 /nfs/dbraw/zinc/57/52/97/434575297.db2.gz YHWQQEDEHJIGQV-HOCLYGCPSA-N 2 2 323.506 3.158 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000422949243 295245570 /nfs/dbraw/zinc/24/55/70/295245570.db2.gz UOCDCQZMJDFFTM-ORAYPTAESA-N 2 2 314.404 3.121 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422699837 295333114 /nfs/dbraw/zinc/33/31/14/295333114.db2.gz BHOAHEOUQKLVDF-RBUKOAKNSA-N 2 2 319.468 3.040 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354045438 434593997 /nfs/dbraw/zinc/59/39/97/434593997.db2.gz UFCSNFZDRNLVBS-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354045438 434594007 /nfs/dbraw/zinc/59/40/07/434594007.db2.gz UFCSNFZDRNLVBS-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349127021 434612627 /nfs/dbraw/zinc/61/26/27/434612627.db2.gz HNXVPAYWXZKBRC-GFCCVEGCSA-N 2 2 305.809 3.072 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349127021 434612633 /nfs/dbraw/zinc/61/26/33/434612633.db2.gz HNXVPAYWXZKBRC-GFCCVEGCSA-N 2 2 305.809 3.072 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349127022 434612927 /nfs/dbraw/zinc/61/29/27/434612927.db2.gz HNXVPAYWXZKBRC-LBPRGKRZSA-N 2 2 305.809 3.072 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349127022 434612932 /nfs/dbraw/zinc/61/29/32/434612932.db2.gz HNXVPAYWXZKBRC-LBPRGKRZSA-N 2 2 305.809 3.072 20 0 DGADLP C[N@H+](C[C@@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583098 434619129 /nfs/dbraw/zinc/61/91/29/434619129.db2.gz SIQIZFRBDWXVOT-RTBURBONSA-N 2 2 314.473 3.059 20 0 DGADLP C[N@@H+](C[C@@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583098 434619138 /nfs/dbraw/zinc/61/91/38/434619138.db2.gz SIQIZFRBDWXVOT-RTBURBONSA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583098 434619146 /nfs/dbraw/zinc/61/91/46/434619146.db2.gz SIQIZFRBDWXVOT-RTBURBONSA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583098 434619149 /nfs/dbraw/zinc/61/91/49/434619149.db2.gz SIQIZFRBDWXVOT-RTBURBONSA-N 2 2 314.473 3.059 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349153748 434622063 /nfs/dbraw/zinc/62/20/63/434622063.db2.gz SOSZOTNXWQNVNX-AWEZNQCLSA-N 2 2 319.836 3.462 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349153748 434622068 /nfs/dbraw/zinc/62/20/68/434622068.db2.gz SOSZOTNXWQNVNX-AWEZNQCLSA-N 2 2 319.836 3.462 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354109057 434624342 /nfs/dbraw/zinc/62/43/42/434624342.db2.gz IIXSXJQRJNEXBG-ZBFHGGJFSA-N 2 2 323.506 3.158 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354109057 434624348 /nfs/dbraw/zinc/62/43/48/434624348.db2.gz IIXSXJQRJNEXBG-ZBFHGGJFSA-N 2 2 323.506 3.158 20 0 DGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354159727 434645450 /nfs/dbraw/zinc/64/54/50/434645450.db2.gz VSOTWBBFHMQEBH-WBVHZDCISA-N 2 2 317.408 3.306 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2-n2cccn2)c[nH+]1 ZINC000354135452 434637979 /nfs/dbraw/zinc/63/79/79/434637979.db2.gz YZOISRHRQGYQRN-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC000424327678 434698646 /nfs/dbraw/zinc/69/86/46/434698646.db2.gz ZFUNXTBORDVGLN-NFEGKLMCSA-N 2 2 311.429 3.166 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000459653999 434649181 /nfs/dbraw/zinc/64/91/81/434649181.db2.gz DZWIWWSIHUONGG-UKRRQHHQSA-N 2 2 307.507 3.434 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000459653999 434649189 /nfs/dbraw/zinc/64/91/89/434649189.db2.gz DZWIWWSIHUONGG-UKRRQHHQSA-N 2 2 307.507 3.434 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH+]1 ZINC000354160804 434650489 /nfs/dbraw/zinc/65/04/89/434650489.db2.gz ZDPOZLWQHQOTFZ-APWZRJJASA-N 3 2 303.494 3.423 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000459672840 434656888 /nfs/dbraw/zinc/65/68/88/434656888.db2.gz GWIRDXPQEPSNBX-OXHPOLQJSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459672840 434656892 /nfs/dbraw/zinc/65/68/92/434656892.db2.gz GWIRDXPQEPSNBX-OXHPOLQJSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000354192234 434662779 /nfs/dbraw/zinc/66/27/79/434662779.db2.gz RUVLMXQZMRKPRP-HUUCEWRRSA-N 2 2 301.434 3.290 20 0 DGADLP COc1cccc2c(NCCNc3cccc[nH+]3)cc(C)[nH+]c12 ZINC000360669793 434665447 /nfs/dbraw/zinc/66/54/47/434665447.db2.gz QVCMVLOAYMFKJL-UHFFFAOYSA-N 2 2 308.385 3.471 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349318852 434672044 /nfs/dbraw/zinc/67/20/44/434672044.db2.gz COPKMCUMCCZEDJ-VIQWUECVSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349318852 434672049 /nfs/dbraw/zinc/67/20/49/434672049.db2.gz COPKMCUMCCZEDJ-VIQWUECVSA-N 2 2 302.462 3.197 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226474 434679090 /nfs/dbraw/zinc/67/90/90/434679090.db2.gz WIGWXWLYDYRADW-HIFRSBDPSA-N 2 2 303.406 3.239 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226474 434679098 /nfs/dbraw/zinc/67/90/98/434679098.db2.gz WIGWXWLYDYRADW-HIFRSBDPSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226474 434679106 /nfs/dbraw/zinc/67/91/06/434679106.db2.gz WIGWXWLYDYRADW-HIFRSBDPSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226474 434679113 /nfs/dbraw/zinc/67/91/13/434679113.db2.gz WIGWXWLYDYRADW-HIFRSBDPSA-N 2 2 303.406 3.239 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)c[nH+]1 ZINC000349350250 434683111 /nfs/dbraw/zinc/68/31/11/434683111.db2.gz OVNADNGYHTZUOH-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000349386972 434700140 /nfs/dbraw/zinc/70/01/40/434700140.db2.gz SXPGCYFUYOBJDO-AWEZNQCLSA-N 2 2 309.523 3.432 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000349386972 434700148 /nfs/dbraw/zinc/70/01/48/434700148.db2.gz SXPGCYFUYOBJDO-AWEZNQCLSA-N 2 2 309.523 3.432 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360981940 434754069 /nfs/dbraw/zinc/75/40/69/434754069.db2.gz FZHCKOBGBSDYNM-UHFFFAOYSA-N 2 2 323.444 3.307 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000354285709 434705815 /nfs/dbraw/zinc/70/58/15/434705815.db2.gz WUSIIUVZVWHUMR-UHFFFAOYSA-N 2 2 317.477 3.165 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000354285709 434705818 /nfs/dbraw/zinc/70/58/18/434705818.db2.gz WUSIIUVZVWHUMR-UHFFFAOYSA-N 2 2 317.477 3.165 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000360883689 434718470 /nfs/dbraw/zinc/71/84/70/434718470.db2.gz KVSNXZLSACQVBY-JSGCOSHPSA-N 2 2 323.362 3.438 20 0 DGADLP COC(=O)c1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)oc1C ZINC000419298792 434767160 /nfs/dbraw/zinc/76/71/60/434767160.db2.gz XDMWSJDGTSPZRZ-GFCCVEGCSA-N 2 2 320.433 3.042 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc(C)c3)CC2)c1 ZINC000441507334 434768345 /nfs/dbraw/zinc/76/83/45/434768345.db2.gz VEQYYKPBDNVUBK-INIZCTEOSA-N 2 2 311.429 3.282 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000361023972 434769202 /nfs/dbraw/zinc/76/92/02/434769202.db2.gz RBYQGPAXPYCQSO-KRWDZBQOSA-N 2 2 310.869 3.275 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000361023972 434769209 /nfs/dbraw/zinc/76/92/09/434769209.db2.gz RBYQGPAXPYCQSO-KRWDZBQOSA-N 2 2 310.869 3.275 20 0 DGADLP CO[C@@H](CC(C)C)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000419247093 434758560 /nfs/dbraw/zinc/75/85/60/434758560.db2.gz MXCQISZOQFVUQN-SFHVURJKSA-N 2 2 307.482 3.436 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000361002013 434761451 /nfs/dbraw/zinc/76/14/51/434761451.db2.gz HWCCTAJGNOHSKD-AYOQOUSVSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000361002013 434761456 /nfs/dbraw/zinc/76/14/56/434761456.db2.gz HWCCTAJGNOHSKD-AYOQOUSVSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361028496 434771956 /nfs/dbraw/zinc/77/19/56/434771956.db2.gz CTFOHSDGRHYDDX-MBOZVWFJSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361028496 434771959 /nfs/dbraw/zinc/77/19/59/434771959.db2.gz CTFOHSDGRHYDDX-MBOZVWFJSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000443444174 434777798 /nfs/dbraw/zinc/77/77/98/434777798.db2.gz ZPAUZSXUOXLJJM-NSHDSACASA-N 2 2 320.234 3.138 20 0 DGADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000443444174 434777805 /nfs/dbraw/zinc/77/78/05/434777805.db2.gz ZPAUZSXUOXLJJM-NSHDSACASA-N 2 2 320.234 3.138 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453059270 434786908 /nfs/dbraw/zinc/78/69/08/434786908.db2.gz PYSLAHGZAUZWCG-KEYYUXOJSA-N 2 2 307.401 3.425 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453063610 434789364 /nfs/dbraw/zinc/78/93/64/434789364.db2.gz FAZPTDPYHUBNFL-NJAFHUGGSA-N 2 2 322.880 3.114 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453063610 434789370 /nfs/dbraw/zinc/78/93/70/434789370.db2.gz FAZPTDPYHUBNFL-NJAFHUGGSA-N 2 2 322.880 3.114 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361056943 434781578 /nfs/dbraw/zinc/78/15/78/434781578.db2.gz JQCGQAWUQAOIEQ-IBGZPJMESA-N 3 2 318.509 3.250 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361056943 434781581 /nfs/dbraw/zinc/78/15/81/434781581.db2.gz JQCGQAWUQAOIEQ-IBGZPJMESA-N 3 2 318.509 3.250 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCCc2ccc(O)cc21)Cc1ccccc1 ZINC000361110139 434798553 /nfs/dbraw/zinc/79/85/53/434798553.db2.gz OXVYMVAGMQSLDS-HXUWFJFHSA-N 2 2 310.441 3.491 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCCc2ccc(O)cc21)Cc1ccccc1 ZINC000361110139 434798557 /nfs/dbraw/zinc/79/85/57/434798557.db2.gz OXVYMVAGMQSLDS-HXUWFJFHSA-N 2 2 310.441 3.491 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113961 434805129 /nfs/dbraw/zinc/80/51/29/434805129.db2.gz RHJNZSGVEGJKSK-MSOLQXFVSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113961 434805133 /nfs/dbraw/zinc/80/51/33/434805133.db2.gz RHJNZSGVEGJKSK-MSOLQXFVSA-N 2 2 321.896 3.017 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000453133200 434811597 /nfs/dbraw/zinc/81/15/97/434811597.db2.gz YHZSRAZARYGVRB-HOTGVXAUSA-N 2 2 312.461 3.127 20 0 DGADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccncn1 ZINC000453141619 434813198 /nfs/dbraw/zinc/81/31/98/434813198.db2.gz LFSCCAADLACVBP-ZACQAIPSSA-N 2 2 324.472 3.284 20 0 DGADLP CS[C@@H]1CN(c2cc[nH+]c3ccsc32)C[C@@H]1[NH+]1CCCC1 ZINC000445606510 434815118 /nfs/dbraw/zinc/81/51/18/434815118.db2.gz CACAIKMLPZDNME-LSDHHAIUSA-N 2 2 319.499 3.312 20 0 DGADLP CCn1cc[nH+]c1[C@@H](C)Nc1cccc(OCC[NH+](C)C)c1 ZINC000453185871 434823767 /nfs/dbraw/zinc/82/37/67/434823767.db2.gz VNTLVSZQMDXRSX-CQSZACIVSA-N 2 2 302.422 3.017 20 0 DGADLP c1ccc(N2CCC(Nc3cc4c(c[nH+]3)CCCC4)CC2)[nH+]c1 ZINC000361185161 434825874 /nfs/dbraw/zinc/82/58/74/434825874.db2.gz DGBCAACKHKHBQA-UHFFFAOYSA-N 2 2 308.429 3.436 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453224122 434833366 /nfs/dbraw/zinc/83/33/66/434833366.db2.gz RTCGMGQOEMHJNQ-FUHWJXTLSA-N 2 2 312.461 3.076 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224122 434833368 /nfs/dbraw/zinc/83/33/68/434833368.db2.gz RTCGMGQOEMHJNQ-FUHWJXTLSA-N 2 2 312.461 3.076 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453257528 434842203 /nfs/dbraw/zinc/84/22/03/434842203.db2.gz HCKZGWFDPSVTLH-VQTJNVASSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453257528 434842205 /nfs/dbraw/zinc/84/22/05/434842205.db2.gz HCKZGWFDPSVTLH-VQTJNVASSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000453257263 434842472 /nfs/dbraw/zinc/84/24/72/434842472.db2.gz NRWKSTACRLYLKX-APWZRJJASA-N 2 2 304.478 3.340 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694371 434847633 /nfs/dbraw/zinc/84/76/33/434847633.db2.gz NUGGTBDZUMHGTN-HKUYNNGSSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694371 434847636 /nfs/dbraw/zinc/84/76/36/434847636.db2.gz NUGGTBDZUMHGTN-HKUYNNGSSA-N 2 2 316.489 3.354 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000372779793 434853758 /nfs/dbraw/zinc/85/37/58/434853758.db2.gz GQWKPJMDNHNYOB-NSHDSACASA-N 2 2 304.463 3.186 20 0 DGADLP Cc1nc(C)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000372779786 434854016 /nfs/dbraw/zinc/85/40/16/434854016.db2.gz GQWKPJMDNHNYOB-LLVKDONJSA-N 2 2 304.463 3.186 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1csnn1 ZINC000412034075 434858032 /nfs/dbraw/zinc/85/80/32/434858032.db2.gz FOWMESWDNYVBIH-AWEZNQCLSA-N 2 2 316.474 3.375 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C[NH+](C)C)c1ccc(OC)cc1)C1CCOCC1 ZINC000573228009 434883105 /nfs/dbraw/zinc/88/31/05/434883105.db2.gz NPCQQFSCDYTSRQ-MOPGFXCFSA-N 2 2 320.477 3.093 20 0 DGADLP c1cc2[nH+]ccc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2s1 ZINC000462122520 434900142 /nfs/dbraw/zinc/90/01/42/434900142.db2.gz KWWZKEAXHBKSOG-HNNXBMFYSA-N 2 2 309.438 3.405 20 0 DGADLP c1cc2[nH+]ccc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2s1 ZINC000462122520 434900145 /nfs/dbraw/zinc/90/01/45/434900145.db2.gz KWWZKEAXHBKSOG-HNNXBMFYSA-N 2 2 309.438 3.405 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000573664326 434915986 /nfs/dbraw/zinc/91/59/86/434915986.db2.gz SIUBHPUGDRVBML-HUUCEWRRSA-N 2 2 305.466 3.291 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000573931046 434937883 /nfs/dbraw/zinc/93/78/83/434937883.db2.gz JFTDSHHVKXHVPX-CQSZACIVSA-N 2 2 324.515 3.124 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000573931046 434937887 /nfs/dbraw/zinc/93/78/87/434937887.db2.gz JFTDSHHVKXHVPX-CQSZACIVSA-N 2 2 324.515 3.124 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000462966557 434938854 /nfs/dbraw/zinc/93/88/54/434938854.db2.gz QBKYXPIFAKCPEH-KCPJHIHWSA-N 2 2 310.388 3.108 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000462966557 434938858 /nfs/dbraw/zinc/93/88/58/434938858.db2.gz QBKYXPIFAKCPEH-KCPJHIHWSA-N 2 2 310.388 3.108 20 0 DGADLP C[N@@H+](Cc1ccns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638068298 434943992 /nfs/dbraw/zinc/94/39/92/434943992.db2.gz WNVREVANVUCLKI-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[N@H+](Cc1ccns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638068298 434943996 /nfs/dbraw/zinc/94/39/96/434943996.db2.gz WNVREVANVUCLKI-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1ccns1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638068298 434944003 /nfs/dbraw/zinc/94/40/03/434944003.db2.gz WNVREVANVUCLKI-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1ccns1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638068298 434944005 /nfs/dbraw/zinc/94/40/05/434944005.db2.gz WNVREVANVUCLKI-INIZCTEOSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000638076485 434947502 /nfs/dbraw/zinc/94/75/02/434947502.db2.gz LEPZLUROLTYUOE-CYBMUJFWSA-N 2 2 300.368 3.175 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000638076485 434947507 /nfs/dbraw/zinc/94/75/07/434947507.db2.gz LEPZLUROLTYUOE-CYBMUJFWSA-N 2 2 300.368 3.175 20 0 DGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)[nH+]1 ZINC000638086544 434948960 /nfs/dbraw/zinc/94/89/60/434948960.db2.gz TYANIOUMDBHGER-INIZCTEOSA-N 2 2 310.445 3.116 20 0 DGADLP COc1cccc(OC)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638105798 434953829 /nfs/dbraw/zinc/95/38/29/434953829.db2.gz WIQNQTVTHSMYLT-INIZCTEOSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cccc(OC)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638105798 434953832 /nfs/dbraw/zinc/95/38/32/434953832.db2.gz WIQNQTVTHSMYLT-INIZCTEOSA-N 2 2 318.461 3.154 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116448 434958378 /nfs/dbraw/zinc/95/83/78/434958378.db2.gz XYWMRPNESUPZOF-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116448 434958383 /nfs/dbraw/zinc/95/83/83/434958383.db2.gz XYWMRPNESUPZOF-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116448 434958386 /nfs/dbraw/zinc/95/83/86/434958386.db2.gz XYWMRPNESUPZOF-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116448 434958390 /nfs/dbraw/zinc/95/83/90/434958390.db2.gz XYWMRPNESUPZOF-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000638125786 434960925 /nfs/dbraw/zinc/96/09/25/434960925.db2.gz ZDKKEAPSBKWDFZ-HNNXBMFYSA-N 2 2 309.404 3.327 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000638125786 434960930 /nfs/dbraw/zinc/96/09/30/434960930.db2.gz ZDKKEAPSBKWDFZ-HNNXBMFYSA-N 2 2 309.404 3.327 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC[C@H]1CCO1 ZINC000638149041 434964463 /nfs/dbraw/zinc/96/44/63/434964463.db2.gz DQQDFCWCEPPODO-IRXDYDNUSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCC[C@H]1CCO1 ZINC000638149041 434964465 /nfs/dbraw/zinc/96/44/65/434964465.db2.gz DQQDFCWCEPPODO-IRXDYDNUSA-N 2 2 313.445 3.378 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000638169569 434969937 /nfs/dbraw/zinc/96/99/37/434969937.db2.gz BHEZNNNTJGEJMB-GGPKGHCWSA-N 2 2 324.472 3.293 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000638169569 434969943 /nfs/dbraw/zinc/96/99/43/434969943.db2.gz BHEZNNNTJGEJMB-GGPKGHCWSA-N 2 2 324.472 3.293 20 0 DGADLP CCCCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000556610571 435015190 /nfs/dbraw/zinc/01/51/90/435015190.db2.gz XFICYHBRNGBWBR-JKSUJKDBSA-N 2 2 305.466 3.293 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C12CCC2 ZINC000638404338 435024002 /nfs/dbraw/zinc/02/40/02/435024002.db2.gz AMVRVVFJWKSBHZ-CVEARBPZSA-N 2 2 305.466 3.379 20 0 DGADLP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)[NH+]2CCCC2)cc1 ZINC000638283765 434996654 /nfs/dbraw/zinc/99/66/54/434996654.db2.gz ZZHWMBXWJODVRQ-JQFCIGGWSA-N 2 2 324.415 3.465 20 0 DGADLP c1ccc([C@@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)cc1 ZINC000638288038 434997417 /nfs/dbraw/zinc/99/74/17/434997417.db2.gz YVRSCUBDLJTUCF-LJQANCHMSA-N 2 2 302.462 3.230 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)n1C ZINC000574705387 434998118 /nfs/dbraw/zinc/99/81/18/434998118.db2.gz YYKRGXCDCYUEGU-UHFFFAOYSA-N 2 2 314.433 3.125 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccns2)CC1 ZINC000638612273 435058594 /nfs/dbraw/zinc/05/85/94/435058594.db2.gz OEZNTSHEUHDWAU-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP COCC1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000638788837 435090529 /nfs/dbraw/zinc/09/05/29/435090529.db2.gz YZNGJBJBJJTZBX-INIZCTEOSA-N 2 2 317.477 3.013 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906551 435059313 /nfs/dbraw/zinc/05/93/13/435059313.db2.gz CJXHWAIPWVXHHH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906551 435059317 /nfs/dbraw/zinc/05/93/17/435059317.db2.gz CJXHWAIPWVXHHH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906551 435059321 /nfs/dbraw/zinc/05/93/21/435059321.db2.gz CJXHWAIPWVXHHH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906551 435059326 /nfs/dbraw/zinc/05/93/26/435059326.db2.gz CJXHWAIPWVXHHH-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@@H]2C1 ZINC000557644147 435061669 /nfs/dbraw/zinc/06/16/69/435061669.db2.gz QPMHLMHOVWIDLP-BLLLJJGKSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@@H]2C1 ZINC000557644147 435061670 /nfs/dbraw/zinc/06/16/70/435061670.db2.gz QPMHLMHOVWIDLP-BLLLJJGKSA-N 2 2 301.821 3.419 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000578202491 435066617 /nfs/dbraw/zinc/06/66/17/435066617.db2.gz RDLWLEIZVIFZDL-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000578202491 435066622 /nfs/dbraw/zinc/06/66/22/435066622.db2.gz RDLWLEIZVIFZDL-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccns2)[C@@H]1c1cccs1 ZINC000638670821 435068421 /nfs/dbraw/zinc/06/84/21/435068421.db2.gz LJAIZBDVUZYGAR-IUODEOHRSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccns2)[C@@H]1c1cccs1 ZINC000638670821 435068422 /nfs/dbraw/zinc/06/84/22/435068422.db2.gz LJAIZBDVUZYGAR-IUODEOHRSA-N 2 2 307.488 3.377 20 0 DGADLP CC[C@@](C)(C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000638697469 435073210 /nfs/dbraw/zinc/07/32/10/435073210.db2.gz DFHVHWDWMBNSMD-AEFFLSMTSA-N 2 2 301.434 3.109 20 0 DGADLP CCOC1CC(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000638702316 435074127 /nfs/dbraw/zinc/07/41/27/435074127.db2.gz ZTKVYTITSMXQGQ-VMWRSERWSA-N 2 2 313.445 3.109 20 0 DGADLP COc1cc2cc[nH+]c(N[C@@H]3CCn4cc[nH+]c4C3)c2cc1F ZINC000558020568 435075648 /nfs/dbraw/zinc/07/56/48/435075648.db2.gz ZIVSCMMCNQMHSC-GFCCVEGCSA-N 2 2 312.348 3.006 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2N)C[N@@H+]1Cc1ccccc1 ZINC000638760026 435084420 /nfs/dbraw/zinc/08/44/20/435084420.db2.gz OJTWQXBSLJDJPC-YOEHRIQHSA-N 2 2 313.420 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2N)C[N@H+]1Cc1ccccc1 ZINC000638760026 435084422 /nfs/dbraw/zinc/08/44/22/435084422.db2.gz OJTWQXBSLJDJPC-YOEHRIQHSA-N 2 2 313.420 3.161 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)ccn1 ZINC000578453148 435086005 /nfs/dbraw/zinc/08/60/05/435086005.db2.gz HSZANKMVEPAYPX-CRAIPNDOSA-N 2 2 313.445 3.352 20 0 DGADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000638778424 435088347 /nfs/dbraw/zinc/08/83/47/435088347.db2.gz FLBHXOCOUZLBJN-MOPGFXCFSA-N 2 2 313.445 3.256 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000638603141 435057405 /nfs/dbraw/zinc/05/74/05/435057405.db2.gz ZTUQEYITJKXVGK-INIZCTEOSA-N 2 2 314.477 3.072 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000531530348 435098851 /nfs/dbraw/zinc/09/88/51/435098851.db2.gz JNTFYIXWEGNUSO-PBWTXFEYSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000531530348 435098857 /nfs/dbraw/zinc/09/88/57/435098857.db2.gz JNTFYIXWEGNUSO-PBWTXFEYSA-N 2 2 304.478 3.209 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000638848253 435103310 /nfs/dbraw/zinc/10/33/10/435103310.db2.gz WKWVWKJYTQKWDW-RXVVDRJESA-N 2 2 323.484 3.405 20 0 DGADLP CC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765870 435109250 /nfs/dbraw/zinc/10/92/50/435109250.db2.gz QUVSXECVGXSKOV-AZUAARDMSA-N 2 2 316.489 3.367 20 0 DGADLP CC[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765870 435109254 /nfs/dbraw/zinc/10/92/54/435109254.db2.gz QUVSXECVGXSKOV-AZUAARDMSA-N 2 2 316.489 3.367 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715955 435113238 /nfs/dbraw/zinc/11/32/38/435113238.db2.gz GZKXCOWRMGUVFD-HNBVOPMISA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715955 435113243 /nfs/dbraw/zinc/11/32/43/435113243.db2.gz GZKXCOWRMGUVFD-HNBVOPMISA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715955 435113249 /nfs/dbraw/zinc/11/32/49/435113249.db2.gz GZKXCOWRMGUVFD-HNBVOPMISA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715955 435113254 /nfs/dbraw/zinc/11/32/54/435113254.db2.gz GZKXCOWRMGUVFD-HNBVOPMISA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000467335354 435117846 /nfs/dbraw/zinc/11/78/46/435117846.db2.gz QFKQWIUJGSPFKB-WFASDCNBSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000467335354 435117850 /nfs/dbraw/zinc/11/78/50/435117850.db2.gz QFKQWIUJGSPFKB-WFASDCNBSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CCCCC1 ZINC000559145239 435123334 /nfs/dbraw/zinc/12/33/34/435123334.db2.gz GGMRXAAVKJZTTP-GGPKGHCWSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CCCCC1 ZINC000559145239 435123336 /nfs/dbraw/zinc/12/33/36/435123336.db2.gz GGMRXAAVKJZTTP-GGPKGHCWSA-N 2 2 321.553 3.161 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C(C)C)cc1 ZINC000531945112 435129283 /nfs/dbraw/zinc/12/92/83/435129283.db2.gz SOMPIXJUBCVRKH-ZOCIIQOWSA-N 2 2 302.462 3.465 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C(C)C)cc1 ZINC000531945112 435129286 /nfs/dbraw/zinc/12/92/86/435129286.db2.gz SOMPIXJUBCVRKH-ZOCIIQOWSA-N 2 2 302.462 3.465 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966800 435130712 /nfs/dbraw/zinc/13/07/12/435130712.db2.gz CTXKIQLXDKEKNI-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966800 435130716 /nfs/dbraw/zinc/13/07/16/435130716.db2.gz CTXKIQLXDKEKNI-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)[C@H](c2[nH+]ccn2C)C2CC2)c1C ZINC000639042471 435133671 /nfs/dbraw/zinc/13/36/71/435133671.db2.gz WUFPPGPLDBBMRH-INIZCTEOSA-N 2 2 314.433 3.024 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N1CCC(OCC[NH+](C)C)CC1 ZINC000532015188 435134870 /nfs/dbraw/zinc/13/48/70/435134870.db2.gz CQCPSQQPAFFQSH-UHFFFAOYSA-N 2 2 313.445 3.090 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179054 435185612 /nfs/dbraw/zinc/18/56/12/435185612.db2.gz RFHYZFKKNPRNLW-WBMJQRKESA-N 2 2 319.399 3.285 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179054 435185618 /nfs/dbraw/zinc/18/56/18/435185618.db2.gz RFHYZFKKNPRNLW-WBMJQRKESA-N 2 2 319.399 3.285 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179054 435185622 /nfs/dbraw/zinc/18/56/22/435185622.db2.gz RFHYZFKKNPRNLW-WBMJQRKESA-N 2 2 319.399 3.285 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179054 435185628 /nfs/dbraw/zinc/18/56/28/435185628.db2.gz RFHYZFKKNPRNLW-WBMJQRKESA-N 2 2 319.399 3.285 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000639188129 435191325 /nfs/dbraw/zinc/19/13/25/435191325.db2.gz QPSIBJIZYYXTSF-HJZRJOMTSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000639188129 435191326 /nfs/dbraw/zinc/19/13/26/435191326.db2.gz QPSIBJIZYYXTSF-HJZRJOMTSA-N 2 2 302.462 3.054 20 0 DGADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494412825 435196023 /nfs/dbraw/zinc/19/60/23/435196023.db2.gz LTBAZVWDVQPWNL-BPCQOVAHSA-N 2 2 301.356 3.156 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000532246404 435152100 /nfs/dbraw/zinc/15/21/00/435152100.db2.gz KVFDNPDICLTWIR-BFQNTYOBSA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000532246404 435152104 /nfs/dbraw/zinc/15/21/04/435152104.db2.gz KVFDNPDICLTWIR-BFQNTYOBSA-N 2 2 308.853 3.482 20 0 DGADLP CCC[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)OC ZINC000639121462 435164615 /nfs/dbraw/zinc/16/46/15/435164615.db2.gz PMBGMONDFGVVBA-YMAMQOFZSA-N 2 2 322.415 3.196 20 0 DGADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000579671297 435172288 /nfs/dbraw/zinc/17/22/88/435172288.db2.gz XTAZKQGJSPICPS-GOSISDBHSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000579671297 435172294 /nfs/dbraw/zinc/17/22/94/435172294.db2.gz XTAZKQGJSPICPS-GOSISDBHSA-N 2 2 306.494 3.332 20 0 DGADLP CO[C@](C)(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154652 435176267 /nfs/dbraw/zinc/17/62/67/435176267.db2.gz MSFMJNNRUXTMFC-HNAYVOBHSA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@](C)(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154652 435176273 /nfs/dbraw/zinc/17/62/73/435176273.db2.gz MSFMJNNRUXTMFC-HNAYVOBHSA-N 2 2 317.477 3.214 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258331 435216405 /nfs/dbraw/zinc/21/64/05/435216405.db2.gz GJUQXOMQHKJKGC-XAUMDUMWSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258331 435216413 /nfs/dbraw/zinc/21/64/13/435216413.db2.gz GJUQXOMQHKJKGC-XAUMDUMWSA-N 2 2 324.472 3.439 20 0 DGADLP Cn1cc[nH+]c1[C@H](Nc1ccc(C[NH+](C)C)cc1F)C1CC1 ZINC000639262703 435219414 /nfs/dbraw/zinc/21/94/14/435219414.db2.gz KREQIWMVYWPWNG-MRXNPFEDSA-N 2 2 302.397 3.184 20 0 DGADLP CC[C@H](C)[C@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241018 435211216 /nfs/dbraw/zinc/21/12/16/435211216.db2.gz AHUQXDCNDUOTDV-ZFWWWQNUSA-N 2 2 324.431 3.396 20 0 DGADLP CC[C@H](C)[C@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241018 435211220 /nfs/dbraw/zinc/21/12/20/435211220.db2.gz AHUQXDCNDUOTDV-ZFWWWQNUSA-N 2 2 324.431 3.396 20 0 DGADLP CO[C@H](C[NH2+]CCc1cn2c(cccc2C)[nH+]1)Cc1ccccc1 ZINC000639288820 435230746 /nfs/dbraw/zinc/23/07/46/435230746.db2.gz HKSNZWYRJQURTH-IBGZPJMESA-N 2 2 323.440 3.033 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639336248 435249031 /nfs/dbraw/zinc/24/90/31/435249031.db2.gz AFZBEAHYGDECBI-FXAWDEMLSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639336248 435249036 /nfs/dbraw/zinc/24/90/36/435249036.db2.gz AFZBEAHYGDECBI-FXAWDEMLSA-N 2 2 324.472 3.361 20 0 DGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000639327749 435245996 /nfs/dbraw/zinc/24/59/96/435245996.db2.gz MKTCFAGGYVDEEN-YQVWRLOYSA-N 2 2 306.494 3.354 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1nccn1C ZINC000639327432 435248129 /nfs/dbraw/zinc/24/81/29/435248129.db2.gz OZRSYPWYTBIMBA-IEZWGBDMSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1nccn1C ZINC000639327432 435248135 /nfs/dbraw/zinc/24/81/35/435248135.db2.gz OZRSYPWYTBIMBA-IEZWGBDMSA-N 2 2 324.472 3.439 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000583884453 435252528 /nfs/dbraw/zinc/25/25/28/435252528.db2.gz PWOCQOLJCMDIMB-QGZVFWFLSA-N 2 2 315.461 3.004 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065557 435264242 /nfs/dbraw/zinc/26/42/42/435264242.db2.gz CQTPIKDFMAFQNX-GDBMZVCRSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065557 435264245 /nfs/dbraw/zinc/26/42/45/435264245.db2.gz CQTPIKDFMAFQNX-GDBMZVCRSA-N 2 2 312.379 3.322 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375690 435270853 /nfs/dbraw/zinc/27/08/53/435270853.db2.gz ZMMNUWBUJFMOLW-UHFFFAOYSA-N 2 2 304.482 3.223 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000639376207 435273178 /nfs/dbraw/zinc/27/31/78/435273178.db2.gz YADRMHOAOYHNIR-UHFFFAOYSA-N 2 2 312.461 3.175 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000639376283 435274145 /nfs/dbraw/zinc/27/41/45/435274145.db2.gz BHCWYYRGZVUJGM-UHFFFAOYSA-N 2 2 322.522 3.050 20 0 DGADLP CCn1nc(C)c(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)c1C ZINC000639376402 435274532 /nfs/dbraw/zinc/27/45/32/435274532.db2.gz HQEJIQRKXDBZNU-UHFFFAOYSA-N 2 2 318.509 3.360 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648365937 435275925 /nfs/dbraw/zinc/27/59/25/435275925.db2.gz ZDWTULCMHFKCHI-UHFFFAOYSA-N 2 2 307.825 3.444 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(C)[nH+]1 ZINC000639437837 435295296 /nfs/dbraw/zinc/29/52/96/435295296.db2.gz SRHQFPBCZXJVGI-UHFFFAOYSA-N 2 2 311.429 3.035 20 0 DGADLP Cc1cc(C)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(C)[nH+]1 ZINC000639441889 435296848 /nfs/dbraw/zinc/29/68/48/435296848.db2.gz YICDCGHADOYFDQ-UHFFFAOYSA-N 2 2 323.440 3.270 20 0 DGADLP Cc1cc(C)c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(C)[nH+]1 ZINC000639441889 435296851 /nfs/dbraw/zinc/29/68/51/435296851.db2.gz YICDCGHADOYFDQ-UHFFFAOYSA-N 2 2 323.440 3.270 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000639455310 435303187 /nfs/dbraw/zinc/30/31/87/435303187.db2.gz NZPHDSKVTSVUJK-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000639455310 435303192 /nfs/dbraw/zinc/30/31/92/435303192.db2.gz NZPHDSKVTSVUJK-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@H](C)O1 ZINC000648462573 435307535 /nfs/dbraw/zinc/30/75/35/435307535.db2.gz NKIBNDCUKBKCCF-MVJTYMMSSA-N 2 2 313.445 3.250 20 0 DGADLP CCCOc1cccc2c(N3CC[C@@H]4CC[NH2+][C@H]4C3)cc[nH+]c12 ZINC000643031678 435262160 /nfs/dbraw/zinc/26/21/60/435262160.db2.gz VFXYAXXOIIRRRK-HOCLYGCPSA-N 2 2 311.429 3.212 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000643032345 435263080 /nfs/dbraw/zinc/26/30/80/435263080.db2.gz AZFHCVKVHXBVTO-ZIAGYGMSSA-N 2 2 316.493 3.260 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)C(C)(C)CO ZINC000643371561 435320095 /nfs/dbraw/zinc/32/00/95/435320095.db2.gz HBDKJJRNECUCHM-UHFFFAOYSA-N 2 2 303.450 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)C(C)(C)CO ZINC000643371561 435320102 /nfs/dbraw/zinc/32/01/02/435320102.db2.gz HBDKJJRNECUCHM-UHFFFAOYSA-N 2 2 303.450 3.218 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000643478699 435334603 /nfs/dbraw/zinc/33/46/03/435334603.db2.gz XTSZPPBDPMWHFS-HZPDHXFCSA-N 2 2 308.381 3.139 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000643480691 435334656 /nfs/dbraw/zinc/33/46/56/435334656.db2.gz RLZZFHJMEFPOQH-UXIGCNINSA-N 2 2 310.388 3.299 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CCO2 ZINC000643482396 435334709 /nfs/dbraw/zinc/33/47/09/435334709.db2.gz GLAUPEAZDADUSZ-SJKOYZFVSA-N 2 2 313.401 3.067 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Br)s1 ZINC000643500898 435336174 /nfs/dbraw/zinc/33/61/74/435336174.db2.gz HCAYSFKAHCBABY-ZJUUUORDSA-N 2 2 303.269 3.303 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000643501083 435336266 /nfs/dbraw/zinc/33/62/66/435336266.db2.gz SOZQDBZNGUYOLU-DGCLKSJQSA-N 2 2 302.340 3.378 20 0 DGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643502995 435338371 /nfs/dbraw/zinc/33/83/71/435338371.db2.gz XUCLDNNAJDCLCH-QGTPRVQTSA-N 2 2 306.425 3.025 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCC2 ZINC000643501665 435338417 /nfs/dbraw/zinc/33/84/17/435338417.db2.gz NHDUJBSZWUKWCV-WFASDCNBSA-N 2 2 313.367 3.210 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506802 435338504 /nfs/dbraw/zinc/33/85/04/435338504.db2.gz JBBCPXSIJQGECV-CYBMUJFWSA-N 2 2 315.486 3.445 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643501509 435338894 /nfs/dbraw/zinc/33/88/94/435338894.db2.gz JHXHITCFCWSXGY-DOMZBBRYSA-N 2 2 314.351 3.304 20 0 DGADLP Brc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)s1 ZINC000643507781 435339088 /nfs/dbraw/zinc/33/90/88/435339088.db2.gz PGUGORITXZLLKO-ZDUSSCGKSA-N 2 2 315.280 3.303 20 0 DGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000643507730 435339211 /nfs/dbraw/zinc/33/92/11/435339211.db2.gz NVHAEWZDMQGDQZ-CQSZACIVSA-N 2 2 302.340 3.378 20 0 DGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643501878 435339970 /nfs/dbraw/zinc/33/99/70/435339970.db2.gz RMYAFKPKWGAZSJ-YOEHRIQHSA-N 2 2 318.465 3.009 20 0 DGADLP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502900 435340047 /nfs/dbraw/zinc/34/00/47/435340047.db2.gz UXTAKAVAJPFGDI-MWLCHTKSSA-N 2 2 315.280 3.230 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1 ZINC000567679434 435342824 /nfs/dbraw/zinc/34/28/24/435342824.db2.gz WZIATAOHBJNRAV-DOMZBBRYSA-N 2 2 318.383 3.019 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000643530156 435344495 /nfs/dbraw/zinc/34/44/95/435344495.db2.gz VMTYGKBYGIVGFN-HZPDHXFCSA-N 2 2 316.424 3.006 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643537895 435347453 /nfs/dbraw/zinc/34/74/53/435347453.db2.gz UBZQVKGJHYESPY-SGMGOOAPSA-N 2 2 302.340 3.029 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000643546843 435350131 /nfs/dbraw/zinc/35/01/31/435350131.db2.gz VUBSKXGOGQLOKO-RDJZCZTQSA-N 3 2 310.445 3.198 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639571115 435351792 /nfs/dbraw/zinc/35/17/92/435351792.db2.gz WBXLCFDUYDTZPE-INIZCTEOSA-N 2 2 322.412 3.110 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000639571115 435351796 /nfs/dbraw/zinc/35/17/96/435351796.db2.gz WBXLCFDUYDTZPE-INIZCTEOSA-N 2 2 322.412 3.110 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C2CCCCC2)n1 ZINC000643548755 435352138 /nfs/dbraw/zinc/35/21/38/435352138.db2.gz URQQZLYHUKBXHI-HZPDHXFCSA-N 2 2 302.466 3.295 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](CC)[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000479853491 435357436 /nfs/dbraw/zinc/35/74/36/435357436.db2.gz QCSQXYBEYMYOKU-OTWHNJEPSA-N 2 2 304.478 3.256 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000537015586 435422120 /nfs/dbraw/zinc/42/21/20/435422120.db2.gz FGPGVIXDQAOIMU-LRDDRELGSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000537015586 435422125 /nfs/dbraw/zinc/42/21/25/435422125.db2.gz FGPGVIXDQAOIMU-LRDDRELGSA-N 2 2 323.278 3.368 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)F ZINC000648619292 435366087 /nfs/dbraw/zinc/36/60/87/435366087.db2.gz OZIAJZTYFRWCGT-INIZCTEOSA-N 2 2 312.404 3.295 20 0 DGADLP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625946 435369678 /nfs/dbraw/zinc/36/96/78/435369678.db2.gz IESSBABPDYDLRE-WBVHZDCISA-N 2 2 317.477 3.214 20 0 DGADLP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625946 435369684 /nfs/dbraw/zinc/36/96/84/435369684.db2.gz IESSBABPDYDLRE-WBVHZDCISA-N 2 2 317.477 3.214 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(C)[nH+]1 ZINC000639624833 435370461 /nfs/dbraw/zinc/37/04/61/435370461.db2.gz WUWOTPZWQQKUNH-BXWFABGCSA-N 2 2 318.461 3.165 20 0 DGADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c(C)[nH+]1 ZINC000639624833 435370469 /nfs/dbraw/zinc/37/04/69/435370469.db2.gz WUWOTPZWQQKUNH-BXWFABGCSA-N 2 2 318.461 3.165 20 0 DGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)OC ZINC000648658480 435374970 /nfs/dbraw/zinc/37/49/70/435374970.db2.gz JCUNZAYUAADLEZ-DYVFJYSZSA-N 2 2 305.397 3.162 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000513095972 435376288 /nfs/dbraw/zinc/37/62/88/435376288.db2.gz ROXKDAFVYQMFHF-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000513095972 435376291 /nfs/dbraw/zinc/37/62/91/435376291.db2.gz ROXKDAFVYQMFHF-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP C[N@H+](C[C@@H]1CC(C)(C)CO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639670230 435387351 /nfs/dbraw/zinc/38/73/51/435387351.db2.gz JAHNYUYMIVOZKR-AWEZNQCLSA-N 2 2 322.415 3.150 20 0 DGADLP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639670230 435387355 /nfs/dbraw/zinc/38/73/55/435387355.db2.gz JAHNYUYMIVOZKR-AWEZNQCLSA-N 2 2 322.415 3.150 20 0 DGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000513500288 435392142 /nfs/dbraw/zinc/39/21/42/435392142.db2.gz LRCJRZXPPBRHCW-UGEDRFTOSA-N 2 2 322.880 3.444 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164025 435398514 /nfs/dbraw/zinc/39/85/14/435398514.db2.gz HPTJSABALVDGEW-SUMWQHHRSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164025 435398516 /nfs/dbraw/zinc/39/85/16/435398516.db2.gz HPTJSABALVDGEW-SUMWQHHRSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164025 435398517 /nfs/dbraw/zinc/39/85/17/435398517.db2.gz HPTJSABALVDGEW-SUMWQHHRSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164025 435398519 /nfs/dbraw/zinc/39/85/19/435398519.db2.gz HPTJSABALVDGEW-SUMWQHHRSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164024 435398920 /nfs/dbraw/zinc/39/89/20/435398920.db2.gz HPTJSABALVDGEW-GUYCJALGSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164024 435398926 /nfs/dbraw/zinc/39/89/26/435398926.db2.gz HPTJSABALVDGEW-GUYCJALGSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164024 435398929 /nfs/dbraw/zinc/39/89/29/435398929.db2.gz HPTJSABALVDGEW-GUYCJALGSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164024 435398934 /nfs/dbraw/zinc/39/89/34/435398934.db2.gz HPTJSABALVDGEW-GUYCJALGSA-N 2 2 310.869 3.178 20 0 DGADLP c1cn2c(cccc2C[NH2+]C2(c3ccccc3)CCOCC2)[nH+]1 ZINC000537654046 435459046 /nfs/dbraw/zinc/45/90/46/435459046.db2.gz OMKPNHYVRMXDMN-UHFFFAOYSA-N 2 2 307.397 3.130 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639918285 435459422 /nfs/dbraw/zinc/45/94/22/435459422.db2.gz LPBLDPZEEYKGAO-QGZVFWFLSA-N 2 2 322.811 3.438 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482262220 435462011 /nfs/dbraw/zinc/46/20/11/435462011.db2.gz YRUIFINDVLFJAR-INIZCTEOSA-N 2 2 318.486 3.447 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000482262220 435462019 /nfs/dbraw/zinc/46/20/19/435462019.db2.gz YRUIFINDVLFJAR-INIZCTEOSA-N 2 2 318.486 3.447 20 0 DGADLP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)noc1-c1ccccc1 ZINC000514667651 435426188 /nfs/dbraw/zinc/42/61/88/435426188.db2.gz HBCDBRKYWGYLMZ-KZNAEPCWSA-N 2 2 311.429 3.352 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000516347732 435529221 /nfs/dbraw/zinc/52/92/21/435529221.db2.gz FIHUUNXNVJXBLU-HNNXBMFYSA-N 2 2 320.477 3.182 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000516347732 435529225 /nfs/dbraw/zinc/52/92/25/435529225.db2.gz FIHUUNXNVJXBLU-HNNXBMFYSA-N 2 2 320.477 3.182 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000640016082 435490467 /nfs/dbraw/zinc/49/04/67/435490467.db2.gz SGWGZOFBIJNVOW-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000538392166 435498729 /nfs/dbraw/zinc/49/87/29/435498729.db2.gz NHEOGZZPJWVYNW-QAPCUYQASA-N 2 2 317.477 3.428 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000539450989 435552246 /nfs/dbraw/zinc/55/22/46/435552246.db2.gz FNNLDOYVSGCGPZ-SFHVURJKSA-N 2 2 323.444 3.387 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000539450989 435552249 /nfs/dbraw/zinc/55/22/49/435552249.db2.gz FNNLDOYVSGCGPZ-SFHVURJKSA-N 2 2 323.444 3.387 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000569735252 435557324 /nfs/dbraw/zinc/55/73/24/435557324.db2.gz QBTFHBHBFUNILY-QZTJIDSGSA-N 2 2 309.542 3.207 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000569735252 435557329 /nfs/dbraw/zinc/55/73/29/435557329.db2.gz QBTFHBHBFUNILY-QZTJIDSGSA-N 2 2 309.542 3.207 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569794058 435561242 /nfs/dbraw/zinc/56/12/42/435561242.db2.gz YRESNYSCLQXUIO-YYAJDYIMSA-N 2 2 317.477 3.153 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792702 435561969 /nfs/dbraw/zinc/56/19/69/435561969.db2.gz KIUMTHICYCZROA-PXAZEXFGSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792702 435561974 /nfs/dbraw/zinc/56/19/74/435561974.db2.gz KIUMTHICYCZROA-PXAZEXFGSA-N 2 2 310.844 3.484 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCCc3[nH]c4ccccc4[nH+]3)c2c1C ZINC000645105601 435569187 /nfs/dbraw/zinc/56/91/87/435569187.db2.gz VRNQKKOWGFRTKI-UHFFFAOYSA-N 2 2 320.400 3.496 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423050943 298883362 /nfs/dbraw/zinc/88/33/62/298883362.db2.gz MMUMAVPTKOJCPK-ZIFCJYIRSA-N 2 2 316.489 3.244 20 0 DGADLP FC(F)n1c2ccccc2nc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000649408947 435581108 /nfs/dbraw/zinc/58/11/08/435581108.db2.gz LZLNLASQUHWACG-UHFFFAOYSA-N 2 2 320.387 3.148 20 0 DGADLP FC(F)n1c2ccccc2nc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000649408947 435581110 /nfs/dbraw/zinc/58/11/10/435581110.db2.gz LZLNLASQUHWACG-UHFFFAOYSA-N 2 2 320.387 3.148 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(Cc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416561 435583163 /nfs/dbraw/zinc/58/31/63/435583163.db2.gz DSBFVOWBCNRSFM-NVXWUHKLSA-N 2 2 315.486 3.293 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416561 435583165 /nfs/dbraw/zinc/58/31/65/435583165.db2.gz DSBFVOWBCNRSFM-NVXWUHKLSA-N 2 2 315.486 3.293 20 0 DGADLP CC(C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000570108762 435589956 /nfs/dbraw/zinc/58/99/56/435589956.db2.gz HACOXBLLTIIYTO-VQTJNVASSA-N 2 2 324.468 3.015 20 0 DGADLP CC(C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000570108762 435589961 /nfs/dbraw/zinc/58/99/61/435589961.db2.gz HACOXBLLTIIYTO-VQTJNVASSA-N 2 2 324.468 3.015 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163431 435542966 /nfs/dbraw/zinc/54/29/66/435542966.db2.gz FSBLBNYSCKWOTN-VQTJNVASSA-N 2 2 316.489 3.393 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163431 435542972 /nfs/dbraw/zinc/54/29/72/435542972.db2.gz FSBLBNYSCKWOTN-VQTJNVASSA-N 2 2 316.489 3.393 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000649541011 435618791 /nfs/dbraw/zinc/61/87/91/435618791.db2.gz NUKJTJRYOMOOAQ-QGZVFWFLSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000649541011 435618794 /nfs/dbraw/zinc/61/87/94/435618794.db2.gz NUKJTJRYOMOOAQ-QGZVFWFLSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000649541011 435618800 /nfs/dbraw/zinc/61/88/00/435618800.db2.gz NUKJTJRYOMOOAQ-QGZVFWFLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000570632773 435636112 /nfs/dbraw/zinc/63/61/12/435636112.db2.gz JAQCRCSAFANURG-AEFFLSMTSA-N 2 2 320.502 3.100 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C(C)C)cc1 ZINC000540317760 435595194 /nfs/dbraw/zinc/59/51/94/435595194.db2.gz FILZKINEWWSKGO-ZWKOTPCHSA-N 2 2 322.518 3.419 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000570157805 435595577 /nfs/dbraw/zinc/59/55/77/435595577.db2.gz JCDLZCKZAOMHAA-HXUWFJFHSA-N 2 2 312.457 3.452 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000570157805 435595584 /nfs/dbraw/zinc/59/55/84/435595584.db2.gz JCDLZCKZAOMHAA-HXUWFJFHSA-N 2 2 312.457 3.452 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)c1ccccc1F ZINC000640534943 435598263 /nfs/dbraw/zinc/59/82/63/435598263.db2.gz XNBVEKPMEDZZKL-UHFFFAOYSA-N 2 2 306.425 3.206 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)c1ccccc1F ZINC000640534943 435598267 /nfs/dbraw/zinc/59/82/67/435598267.db2.gz XNBVEKPMEDZZKL-UHFFFAOYSA-N 2 2 306.425 3.206 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000570291056 435606065 /nfs/dbraw/zinc/60/60/65/435606065.db2.gz FJDANZFOTDWEKH-UHFFFAOYSA-N 2 2 307.800 3.204 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000570291056 435606069 /nfs/dbraw/zinc/60/60/69/435606069.db2.gz FJDANZFOTDWEKH-UHFFFAOYSA-N 2 2 307.800 3.204 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000649616268 435644287 /nfs/dbraw/zinc/64/42/87/435644287.db2.gz HLRXGFBGSXOUBD-MRXNPFEDSA-N 2 2 317.477 3.175 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000649616268 435644291 /nfs/dbraw/zinc/64/42/91/435644291.db2.gz HLRXGFBGSXOUBD-MRXNPFEDSA-N 2 2 317.477 3.175 20 0 DGADLP c1[nH+]c(-c2ccc(OCC[C@@H]3CC[NH2+]C3)cc2)n2c1CCCC2 ZINC000519140423 435671527 /nfs/dbraw/zinc/67/15/27/435671527.db2.gz CICCFDLQNWZKFJ-HNNXBMFYSA-N 2 2 311.429 3.265 20 0 DGADLP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155618 435672793 /nfs/dbraw/zinc/67/27/93/435672793.db2.gz DEBWUWSKOIPAJA-NLWGTHIKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155618 435672797 /nfs/dbraw/zinc/67/27/97/435672797.db2.gz DEBWUWSKOIPAJA-NLWGTHIKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155618 435672800 /nfs/dbraw/zinc/67/28/00/435672800.db2.gz DEBWUWSKOIPAJA-NLWGTHIKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155618 435672803 /nfs/dbraw/zinc/67/28/03/435672803.db2.gz DEBWUWSKOIPAJA-NLWGTHIKSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc[nH+]c(N)c2)CCc2ccc(Cl)cc21 ZINC000649746546 435690524 /nfs/dbraw/zinc/69/05/24/435690524.db2.gz BXOFSZBCXZWMJD-GFCCVEGCSA-N 2 2 301.821 3.309 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc[nH+]c(N)c2)CCc2ccc(Cl)cc21 ZINC000649746546 435690526 /nfs/dbraw/zinc/69/05/26/435690526.db2.gz BXOFSZBCXZWMJD-GFCCVEGCSA-N 2 2 301.821 3.309 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641113222 435693144 /nfs/dbraw/zinc/69/31/44/435693144.db2.gz XSKIISIYLPWCPS-INIZCTEOSA-N 2 2 301.438 3.199 20 0 DGADLP CCC[C@@H]([NH3+])c1cn(Cc2ccc(C(C)C)[nH+]c2CC)nn1 ZINC000641112803 435693902 /nfs/dbraw/zinc/69/39/02/435693902.db2.gz PZGNVSTVKVFTMO-CQSZACIVSA-N 2 2 301.438 3.207 20 0 DGADLP C1C[C@@H]([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CO1 ZINC000655698799 435733507 /nfs/dbraw/zinc/73/35/07/435733507.db2.gz WAIVHLBLEKDPIH-QFHJOOASSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)CCC2 ZINC000655701394 435734905 /nfs/dbraw/zinc/73/49/05/435734905.db2.gz VQIDBIAEVLVKHR-QRWLVFNGSA-N 2 2 314.473 3.079 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655704168 435735419 /nfs/dbraw/zinc/73/54/19/435735419.db2.gz RPUMHERYQBZJNF-QZTJIDSGSA-N 2 2 306.425 3.120 20 0 DGADLP CC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655703324 435737982 /nfs/dbraw/zinc/73/79/82/435737982.db2.gz FEWISQDIQQRSHH-LEOMRAHMSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000655708492 435738843 /nfs/dbraw/zinc/73/88/43/435738843.db2.gz IXMZTYOKAOCEAG-QFBILLFUSA-N 2 2 316.489 3.196 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737918 435762855 /nfs/dbraw/zinc/76/28/55/435762855.db2.gz RIACKXKTLBQBST-MOXGXCLJSA-N 2 2 314.473 3.153 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000646009856 435742016 /nfs/dbraw/zinc/74/20/16/435742016.db2.gz AEICKESFSJZXLY-GOSISDBHSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000646009856 435742025 /nfs/dbraw/zinc/74/20/25/435742025.db2.gz AEICKESFSJZXLY-GOSISDBHSA-N 2 2 301.409 3.199 20 0 DGADLP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655710727 435743108 /nfs/dbraw/zinc/74/31/08/435743108.db2.gz DOGLFNQSIKIQAB-FXAWDEMLSA-N 2 2 316.489 3.077 20 0 DGADLP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655716062 435744792 /nfs/dbraw/zinc/74/47/92/435744792.db2.gz PQQVAGYZYJNXEL-DOTOQJQBSA-N 2 2 312.461 3.437 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424763 435750304 /nfs/dbraw/zinc/75/03/04/435750304.db2.gz WRFFYWKGFVJNQF-JKSUJKDBSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424763 435750307 /nfs/dbraw/zinc/75/03/07/435750307.db2.gz WRFFYWKGFVJNQF-JKSUJKDBSA-N 2 2 311.473 3.408 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655734177 435759176 /nfs/dbraw/zinc/75/91/76/435759176.db2.gz BIRGXUDSXVJXGL-RKVPGOIHSA-N 2 2 319.518 3.481 20 0 DGADLP c1nc2cc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)ccc2[nH]1 ZINC000548673933 435709207 /nfs/dbraw/zinc/70/92/07/435709207.db2.gz OCPWMRDUIDGJSM-HNNXBMFYSA-N 2 2 321.428 3.085 20 0 DGADLP c1nc2cc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)ccc2[nH]1 ZINC000548673933 435709211 /nfs/dbraw/zinc/70/92/11/435709211.db2.gz OCPWMRDUIDGJSM-HNNXBMFYSA-N 2 2 321.428 3.085 20 0 DGADLP c1nc2ccc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)cc2[nH]1 ZINC000548673933 435709216 /nfs/dbraw/zinc/70/92/16/435709216.db2.gz OCPWMRDUIDGJSM-HNNXBMFYSA-N 2 2 321.428 3.085 20 0 DGADLP c1nc2ccc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)cc2[nH]1 ZINC000548673933 435709219 /nfs/dbraw/zinc/70/92/19/435709219.db2.gz OCPWMRDUIDGJSM-HNNXBMFYSA-N 2 2 321.428 3.085 20 0 DGADLP O=C1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)c2ccccc2N1 ZINC000571632407 435722079 /nfs/dbraw/zinc/72/20/79/435722079.db2.gz DILOHSLUBWZJPY-KRWDZBQOSA-N 2 2 315.461 3.362 20 0 DGADLP C1CCC2(C1)CCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655769857 435787615 /nfs/dbraw/zinc/78/76/15/435787615.db2.gz QQQZPCDBZWQVBP-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP CC[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693416 435794384 /nfs/dbraw/zinc/79/43/84/435794384.db2.gz NFNNQBPYMISHES-RTBURBONSA-N 3 2 307.526 3.103 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733178 435802278 /nfs/dbraw/zinc/80/22/78/435802278.db2.gz GRVBVFVJQVGYJY-QAPCUYQASA-N 2 2 324.472 3.285 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733178 435802285 /nfs/dbraw/zinc/80/22/85/435802285.db2.gz GRVBVFVJQVGYJY-QAPCUYQASA-N 2 2 324.472 3.285 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550678820 435807863 /nfs/dbraw/zinc/80/78/63/435807863.db2.gz UZJMOSJOCVTXPC-GIVPXCGWSA-N 2 2 324.468 3.454 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550678820 435807866 /nfs/dbraw/zinc/80/78/66/435807866.db2.gz UZJMOSJOCVTXPC-GIVPXCGWSA-N 2 2 324.468 3.454 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000660578289 435813430 /nfs/dbraw/zinc/81/34/30/435813430.db2.gz OBVCKWBARJXHNL-UHFFFAOYSA-N 2 2 309.335 3.350 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000660578289 435813435 /nfs/dbraw/zinc/81/34/35/435813435.db2.gz OBVCKWBARJXHNL-UHFFFAOYSA-N 2 2 309.335 3.350 20 0 DGADLP CSc1cccc(C[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000660588810 435816688 /nfs/dbraw/zinc/81/66/88/435816688.db2.gz BOXWNKMLWOFRLP-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1cccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000660588810 435816693 /nfs/dbraw/zinc/81/66/93/435816693.db2.gz BOXWNKMLWOFRLP-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP COc1cc(OC)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1F ZINC000651759945 435817874 /nfs/dbraw/zinc/81/78/74/435817874.db2.gz IKWSBVFBASSLIQ-AWEZNQCLSA-N 2 2 324.440 3.197 20 0 DGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000551071062 435818262 /nfs/dbraw/zinc/81/82/62/435818262.db2.gz KBTJRDSKHKSKSW-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP Cc1cc(Br)ccc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000641779365 435818679 /nfs/dbraw/zinc/81/86/79/435818679.db2.gz KRQWHLVPBMFSMH-LBPRGKRZSA-N 2 2 322.250 3.384 20 0 DGADLP Fc1ccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655742721 435766339 /nfs/dbraw/zinc/76/63/39/435766339.db2.gz WGJBAZANYDVUAV-GOSISDBHSA-N 2 2 318.436 3.048 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3conc3C)C2)s1 ZINC000660496111 435779276 /nfs/dbraw/zinc/77/92/76/435779276.db2.gz FDQDEPYEIBTDCL-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3conc3C)C2)s1 ZINC000660496111 435779278 /nfs/dbraw/zinc/77/92/78/435779278.db2.gz FDQDEPYEIBTDCL-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3conc3C)C2)s1 ZINC000660496111 435779280 /nfs/dbraw/zinc/77/92/80/435779280.db2.gz FDQDEPYEIBTDCL-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3conc3C)C2)s1 ZINC000660496111 435779284 /nfs/dbraw/zinc/77/92/84/435779284.db2.gz FDQDEPYEIBTDCL-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655763550 435782999 /nfs/dbraw/zinc/78/29/99/435782999.db2.gz PUFQZRMODZEWKD-BHIYHBOVSA-N 2 2 314.473 3.084 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104337 435783031 /nfs/dbraw/zinc/78/30/31/435783031.db2.gz KHKSSLATDREOCD-QGZVFWFLSA-N 2 2 324.415 3.213 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104337 435783036 /nfs/dbraw/zinc/78/30/36/435783036.db2.gz KHKSSLATDREOCD-QGZVFWFLSA-N 2 2 324.415 3.213 20 0 DGADLP COc1cc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000651669461 435783551 /nfs/dbraw/zinc/78/35/51/435783551.db2.gz VQSTZJKAGLJSCY-AWEZNQCLSA-N 2 2 324.440 3.197 20 0 DGADLP COc1cc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000651669461 435783558 /nfs/dbraw/zinc/78/35/58/435783558.db2.gz VQSTZJKAGLJSCY-AWEZNQCLSA-N 2 2 324.440 3.197 20 0 DGADLP C1CCC2(C1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655769854 435786530 /nfs/dbraw/zinc/78/65/30/435786530.db2.gz QQQZPCDBZWQVBP-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000641804366 435827854 /nfs/dbraw/zinc/82/78/54/435827854.db2.gz YZWOPPUHICQDOC-KGLIPLIRSA-N 2 2 305.422 3.165 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000641802507 435829026 /nfs/dbraw/zinc/82/90/26/435829026.db2.gz MACQBHDXCYVWJB-ZIAGYGMSSA-N 2 2 305.422 3.165 20 0 DGADLP c1sc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc1-c1ccccc1 ZINC000641800749 435829846 /nfs/dbraw/zinc/82/98/46/435829846.db2.gz FDPKCFOIBJHPSP-WBVHZDCISA-N 2 2 313.470 3.384 20 0 DGADLP c1sc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc1-c1ccccc1 ZINC000641800749 435829851 /nfs/dbraw/zinc/82/98/51/435829851.db2.gz FDPKCFOIBJHPSP-WBVHZDCISA-N 2 2 313.470 3.384 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000655843371 435832241 /nfs/dbraw/zinc/83/22/41/435832241.db2.gz RIPFBVYCDNPVAE-ZDUSSCGKSA-N 2 2 307.463 3.475 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385972 435834353 /nfs/dbraw/zinc/83/43/53/435834353.db2.gz VFPPLXPJFJJSFH-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385972 435834360 /nfs/dbraw/zinc/83/43/60/435834360.db2.gz VFPPLXPJFJJSFH-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385972 435834368 /nfs/dbraw/zinc/83/43/68/435834368.db2.gz VFPPLXPJFJJSFH-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385972 435834374 /nfs/dbraw/zinc/83/43/74/435834374.db2.gz VFPPLXPJFJJSFH-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C1C[C@H]([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848084 435838003 /nfs/dbraw/zinc/83/80/03/435838003.db2.gz ASLZQLIPEYNUEY-ICBNADEASA-N 2 2 306.494 3.188 20 0 DGADLP C1C[C@H]([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848084 435838009 /nfs/dbraw/zinc/83/80/09/435838009.db2.gz ASLZQLIPEYNUEY-ICBNADEASA-N 2 2 306.494 3.188 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1C(C)C ZINC000655848531 435839533 /nfs/dbraw/zinc/83/95/33/435839533.db2.gz HINXQAJQFMZOKO-BMGDILEWSA-N 2 2 304.482 3.440 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1C(C)C ZINC000655848531 435839538 /nfs/dbraw/zinc/83/95/38/435839538.db2.gz HINXQAJQFMZOKO-BMGDILEWSA-N 2 2 304.482 3.440 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849290 435839554 /nfs/dbraw/zinc/83/95/54/435839554.db2.gz SSQOVNJIVSCRKN-KANFNMMFSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849290 435839561 /nfs/dbraw/zinc/83/95/61/435839561.db2.gz SSQOVNJIVSCRKN-KANFNMMFSA-N 2 2 302.462 3.369 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccccc1F)C2 ZINC000660654240 435842254 /nfs/dbraw/zinc/84/22/54/435842254.db2.gz GBCQHRPUDVXZPN-QGZVFWFLSA-N 2 2 308.466 3.336 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccccc1F)C2 ZINC000660654240 435842261 /nfs/dbraw/zinc/84/22/61/435842261.db2.gz GBCQHRPUDVXZPN-QGZVFWFLSA-N 2 2 308.466 3.336 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCSc1ccccc1F)C2 ZINC000660654240 435842267 /nfs/dbraw/zinc/84/22/67/435842267.db2.gz GBCQHRPUDVXZPN-QGZVFWFLSA-N 2 2 308.466 3.336 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCSc1ccccc1F)C2 ZINC000660654240 435842273 /nfs/dbraw/zinc/84/22/73/435842273.db2.gz GBCQHRPUDVXZPN-QGZVFWFLSA-N 2 2 308.466 3.336 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cn1 ZINC000551572113 435842386 /nfs/dbraw/zinc/84/23/86/435842386.db2.gz PSISPWQQBPJNHI-KRWDZBQOSA-N 2 2 302.397 3.240 20 0 DGADLP CC(C)c1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000551589733 435842761 /nfs/dbraw/zinc/84/27/61/435842761.db2.gz FNOYSWXXBLMFSO-XJKSGUPXSA-N 2 2 302.466 3.040 20 0 DGADLP CC(C)c1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000551589733 435842766 /nfs/dbraw/zinc/84/27/66/435842766.db2.gz FNOYSWXXBLMFSO-XJKSGUPXSA-N 2 2 302.466 3.040 20 0 DGADLP CCC(CC)[C@H](CNCc1cn2cc(C)ccc2[nH+]1)[NH+](C)C ZINC000551575701 435843747 /nfs/dbraw/zinc/84/37/47/435843747.db2.gz KVLBSCNYVMNMPM-KRWDZBQOSA-N 2 2 302.466 3.099 20 0 DGADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655854947 435844880 /nfs/dbraw/zinc/84/48/80/435844880.db2.gz BELPXQXVLIDGER-LJFWHQRKSA-N 2 2 300.446 3.315 20 0 DGADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655854947 435844886 /nfs/dbraw/zinc/84/48/86/435844886.db2.gz BELPXQXVLIDGER-LJFWHQRKSA-N 2 2 300.446 3.315 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655854918 435844933 /nfs/dbraw/zinc/84/49/33/435844933.db2.gz ADVIUBHWYDSZIW-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000655854918 435844937 /nfs/dbraw/zinc/84/49/37/435844937.db2.gz ADVIUBHWYDSZIW-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1nc3ccccc3s1)C2 ZINC000660655450 435844998 /nfs/dbraw/zinc/84/49/98/435844998.db2.gz NGCHIYJODYYNNT-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1nc3ccccc3s1)C2 ZINC000660655450 435845000 /nfs/dbraw/zinc/84/50/00/435845000.db2.gz NGCHIYJODYYNNT-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC000660655450 435845001 /nfs/dbraw/zinc/84/50/01/435845001.db2.gz NGCHIYJODYYNNT-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC000660655450 435845007 /nfs/dbraw/zinc/84/50/07/435845007.db2.gz NGCHIYJODYYNNT-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000651866162 435850060 /nfs/dbraw/zinc/85/00/60/435850060.db2.gz XFRSCTIXGAZJQI-OAHLLOKOSA-N 2 2 311.495 3.062 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000651866162 435850064 /nfs/dbraw/zinc/85/00/64/435850064.db2.gz XFRSCTIXGAZJQI-OAHLLOKOSA-N 2 2 311.495 3.062 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccccc1OC(F)F ZINC000651866676 435850621 /nfs/dbraw/zinc/85/06/21/435850621.db2.gz NDVDHLDCMSEBHO-UHFFFAOYSA-N 2 2 300.393 3.356 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccccc1OC(F)F ZINC000651866676 435850622 /nfs/dbraw/zinc/85/06/22/435850622.db2.gz NDVDHLDCMSEBHO-UHFFFAOYSA-N 2 2 300.393 3.356 20 0 DGADLP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1F ZINC000651892334 435855505 /nfs/dbraw/zinc/85/55/05/435855505.db2.gz QFQMZHDHSBAXFH-SUMWQHHRSA-N 2 2 308.441 3.100 20 0 DGADLP CCc1noc(C)c1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679641 435856740 /nfs/dbraw/zinc/85/67/40/435856740.db2.gz QWJXPKOOGKMCHS-UHFFFAOYSA-N 2 2 313.445 3.300 20 0 DGADLP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@@H+]1C ZINC000642194101 435869924 /nfs/dbraw/zinc/86/99/24/435869924.db2.gz VALXCSMMQZKGDL-CMPLNLGQSA-N 2 2 313.380 3.145 20 0 DGADLP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@H+]1C ZINC000642194101 435869927 /nfs/dbraw/zinc/86/99/27/435869927.db2.gz VALXCSMMQZKGDL-CMPLNLGQSA-N 2 2 313.380 3.145 20 0 DGADLP c1ccc(OCCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000656279643 435935609 /nfs/dbraw/zinc/93/56/09/435935609.db2.gz YIMMOYDDKPMXIE-MOPGFXCFSA-N 2 2 302.462 3.452 20 0 DGADLP c1ccc(OCCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000656279643 435935616 /nfs/dbraw/zinc/93/56/16/435935616.db2.gz YIMMOYDDKPMXIE-MOPGFXCFSA-N 2 2 302.462 3.452 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000651983431 435885507 /nfs/dbraw/zinc/88/55/07/435885507.db2.gz YWUWPCGQXAWHLE-GJYPPUQNSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000651983431 435885513 /nfs/dbraw/zinc/88/55/13/435885513.db2.gz YWUWPCGQXAWHLE-GJYPPUQNSA-N 2 2 302.462 3.227 20 0 DGADLP CCc1csc(CC2CC[NH+](CC[NH2+]C(C)(C)C)CC2)n1 ZINC000656193570 435908749 /nfs/dbraw/zinc/90/87/49/435908749.db2.gz NJXNAMPVDRNJRR-UHFFFAOYSA-N 2 2 309.523 3.348 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](CCc4cccnc4)CC3)[nH]c2c1 ZINC000660855488 435908931 /nfs/dbraw/zinc/90/89/31/435908931.db2.gz BEMCSYAVDVJYOS-UHFFFAOYSA-N 2 2 320.440 3.455 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000656193299 435909650 /nfs/dbraw/zinc/90/96/50/435909650.db2.gz FGKAZTADTGBIHO-LEWSCRJBSA-N 2 2 320.824 3.311 20 0 DGADLP c1ccc(CC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000660853386 435910156 /nfs/dbraw/zinc/91/01/56/435910156.db2.gz XCEZYCGIUYUCIC-UHFFFAOYSA-N 2 2 320.440 3.455 20 0 DGADLP C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1c[nH+]ccc1N ZINC000665238399 435924342 /nfs/dbraw/zinc/92/43/42/435924342.db2.gz XTEOQPSASGDJIF-HZMBPMFUSA-N 2 2 317.355 3.035 20 0 DGADLP COc1cccc(OC)c1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665238171 435925515 /nfs/dbraw/zinc/92/55/15/435925515.db2.gz SIOIKYUKPHBOSS-CABCVRRESA-N 2 2 306.450 3.104 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000652221515 435926598 /nfs/dbraw/zinc/92/65/98/435926598.db2.gz XJUXXDRKJWAPGU-OAHLLOKOSA-N 2 2 308.466 3.332 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000652221515 435926601 /nfs/dbraw/zinc/92/66/01/435926601.db2.gz XJUXXDRKJWAPGU-OAHLLOKOSA-N 2 2 308.466 3.332 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1c[nH+]ccc1N ZINC000665243994 435927259 /nfs/dbraw/zinc/92/72/59/435927259.db2.gz CUIAAHJGKNIUIB-NSHDSACASA-N 2 2 301.365 3.025 20 0 DGADLP Cc1cc([C@H]([NH2+]CC2([NH3+])CCCC2)c2cccnc2)ccc1F ZINC000665248015 435929583 /nfs/dbraw/zinc/92/95/83/435929583.db2.gz NNHXTIDFWJDERR-SFHVURJKSA-N 2 2 313.420 3.480 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000665254567 435930006 /nfs/dbraw/zinc/93/00/06/435930006.db2.gz TYLUYFVWNBAZGQ-WJFTUGDTSA-N 2 2 320.452 3.064 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(O)c1 ZINC000665254726 435930721 /nfs/dbraw/zinc/93/07/21/435930721.db2.gz YAFOWVIHYIUJGP-MJXNMMHHSA-N 2 2 314.404 3.328 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252496 435931090 /nfs/dbraw/zinc/93/10/90/435931090.db2.gz QYZZECDVAXQWCB-ZXNZYJFHSA-N 2 2 324.468 3.498 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncs1 ZINC000665257569 435933374 /nfs/dbraw/zinc/93/33/74/435933374.db2.gz NCIQRMUMJLEKHV-KCPJHIHWSA-N 2 2 305.422 3.079 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)[C@H]1CC[NH3+] ZINC000652355843 435958283 /nfs/dbraw/zinc/95/82/83/435958283.db2.gz JQRPQONFUVJIBV-STQMWFEESA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)[C@H]1CC[NH3+] ZINC000652355843 435958288 /nfs/dbraw/zinc/95/82/88/435958288.db2.gz JQRPQONFUVJIBV-STQMWFEESA-N 2 2 305.447 3.352 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652356188 435958523 /nfs/dbraw/zinc/95/85/23/435958523.db2.gz VVIAVRXILQUGDR-CZUORRHYSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652356188 435958526 /nfs/dbraw/zinc/95/85/26/435958526.db2.gz VVIAVRXILQUGDR-CZUORRHYSA-N 2 2 318.440 3.145 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CO1 ZINC000647174223 435960609 /nfs/dbraw/zinc/96/06/09/435960609.db2.gz SYVYJTBXUFZHOP-QXAKKESOSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CO1 ZINC000647174222 435961358 /nfs/dbraw/zinc/96/13/58/435961358.db2.gz SYVYJTBXUFZHOP-NZSAHSFTSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000647189901 435967448 /nfs/dbraw/zinc/96/74/48/435967448.db2.gz XVBVDSHECPKALJ-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP COc1cc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)ccc1C ZINC000647262529 435994955 /nfs/dbraw/zinc/99/49/55/435994955.db2.gz BVLPHKUMLWAYNA-UHFFFAOYSA-N 2 2 309.413 3.292 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000647243280 435987395 /nfs/dbraw/zinc/98/73/95/435987395.db2.gz HFJVXMCCPQHILQ-RNIPGJKVSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000647243280 435987401 /nfs/dbraw/zinc/98/74/01/435987401.db2.gz HFJVXMCCPQHILQ-RNIPGJKVSA-N 2 2 304.478 3.209 20 0 DGADLP CCc1nc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000647248810 435989965 /nfs/dbraw/zinc/98/99/65/435989965.db2.gz HRJBGXVZZSWTNU-WBVHZDCISA-N 2 2 315.486 3.141 20 0 DGADLP CCc1nc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000647248810 435989966 /nfs/dbraw/zinc/98/99/66/435989966.db2.gz HRJBGXVZZSWTNU-WBVHZDCISA-N 2 2 315.486 3.141 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000665295380 435943089 /nfs/dbraw/zinc/94/30/89/435943089.db2.gz CPIDJVFEXUAQDA-BXKDBHETSA-N 2 2 303.233 3.405 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299406 435944402 /nfs/dbraw/zinc/94/44/02/435944402.db2.gz MKYQFSLPOOFNNE-ZACQAIPSSA-N 2 2 310.445 3.109 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000656461425 435952764 /nfs/dbraw/zinc/95/27/64/435952764.db2.gz UMGJSCYTUVYKFE-MRXNPFEDSA-N 2 2 308.429 3.324 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000656461425 435952766 /nfs/dbraw/zinc/95/27/66/435952766.db2.gz UMGJSCYTUVYKFE-MRXNPFEDSA-N 2 2 308.429 3.324 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647166236 435957541 /nfs/dbraw/zinc/95/75/41/435957541.db2.gz DQBLBJMTDDLTKG-UHFFFAOYSA-N 2 2 300.450 3.002 20 0 DGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)c1C ZINC000652354553 435957571 /nfs/dbraw/zinc/95/75/71/435957571.db2.gz BTIQCRWYMKHMAX-NHYWBVRUSA-N 2 2 323.506 3.061 20 0 DGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)c1C ZINC000652354553 435957577 /nfs/dbraw/zinc/95/75/77/435957577.db2.gz BTIQCRWYMKHMAX-NHYWBVRUSA-N 2 2 323.506 3.061 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715865 436001854 /nfs/dbraw/zinc/00/18/54/436001854.db2.gz MJHISBONFABJMQ-LSTHTHJFSA-N 2 2 321.468 3.448 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715865 436001859 /nfs/dbraw/zinc/00/18/59/436001859.db2.gz MJHISBONFABJMQ-LSTHTHJFSA-N 2 2 321.468 3.448 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc2n(n1)CCCC2 ZINC000647291513 436003080 /nfs/dbraw/zinc/00/30/80/436003080.db2.gz QPAWJQBPGMDEQS-OAHLLOKOSA-N 2 2 316.493 3.277 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000650719438 436003864 /nfs/dbraw/zinc/00/38/64/436003864.db2.gz QFHUGHUMFBVUNK-UTKZUKDTSA-N 3 2 323.484 3.331 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000650719438 436003866 /nfs/dbraw/zinc/00/38/66/436003866.db2.gz QFHUGHUMFBVUNK-UTKZUKDTSA-N 3 2 323.484 3.331 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650716159 436004434 /nfs/dbraw/zinc/00/44/34/436004434.db2.gz TZOXUFCGNMSTSE-OZOXKJRCSA-N 2 2 321.468 3.133 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650716159 436004438 /nfs/dbraw/zinc/00/44/38/436004438.db2.gz TZOXUFCGNMSTSE-OZOXKJRCSA-N 2 2 321.468 3.133 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000650719439 436004606 /nfs/dbraw/zinc/00/46/06/436004606.db2.gz QFHUGHUMFBVUNK-UWJYYQICSA-N 3 2 323.484 3.331 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000650719439 436004611 /nfs/dbraw/zinc/00/46/11/436004611.db2.gz QFHUGHUMFBVUNK-UWJYYQICSA-N 3 2 323.484 3.331 20 0 DGADLP C[C@@H]([NH2+]C1(c2ccccc2Br)CCC1)C1C[NH2+]C1 ZINC000650741298 436013497 /nfs/dbraw/zinc/01/34/97/436013497.db2.gz AKPBCWUZXPDGSH-LLVKDONJSA-N 2 2 309.251 3.026 20 0 DGADLP CC[C@H](C)CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656704377 436015975 /nfs/dbraw/zinc/01/59/75/436015975.db2.gz IPEIHFDHVMMDNL-XJKSGUPXSA-N 2 2 303.450 3.040 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cnn(C(C)C)c3)cn21 ZINC000647364473 436032414 /nfs/dbraw/zinc/03/24/14/436032414.db2.gz ATVIQERDAWPZIW-HNNXBMFYSA-N 2 2 311.433 3.313 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)c[nH+]1 ZINC000656784351 436043521 /nfs/dbraw/zinc/04/35/21/436043521.db2.gz CPQKMGSMBLZNCG-IBGZPJMESA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)c[nH+]1 ZINC000656784351 436043524 /nfs/dbraw/zinc/04/35/24/436043524.db2.gz CPQKMGSMBLZNCG-IBGZPJMESA-N 3 2 324.472 3.084 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479650 436059118 /nfs/dbraw/zinc/05/91/18/436059118.db2.gz OIJFUTASDGOPTJ-OCCSQVGLSA-N 2 2 319.449 3.399 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479650 436059122 /nfs/dbraw/zinc/05/91/22/436059122.db2.gz OIJFUTASDGOPTJ-OCCSQVGLSA-N 2 2 319.449 3.399 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480628 436059186 /nfs/dbraw/zinc/05/91/86/436059186.db2.gz VRQWOARQUUNREJ-FXAWDEMLSA-N 2 2 324.472 3.145 20 0 DGADLP c1cc(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488594 436062571 /nfs/dbraw/zinc/06/25/71/436062571.db2.gz FQSSZKOMTAEACP-RBUKOAKNSA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488594 436062574 /nfs/dbraw/zinc/06/25/74/436062574.db2.gz FQSSZKOMTAEACP-RBUKOAKNSA-N 2 2 314.473 3.161 20 0 DGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647496292 436065484 /nfs/dbraw/zinc/06/54/84/436065484.db2.gz FAAAHLLFMQANPQ-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647496292 436065490 /nfs/dbraw/zinc/06/54/90/436065490.db2.gz FAAAHLLFMQANPQ-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH+]2CCC([NH2+]C)CC2)ccc1OC ZINC000647495581 436067135 /nfs/dbraw/zinc/06/71/35/436067135.db2.gz MBGJMAUEOPARKQ-AWEZNQCLSA-N 2 2 306.450 3.056 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647504274 436069439 /nfs/dbraw/zinc/06/94/39/436069439.db2.gz NQHXOFQLABPVNE-MRXNPFEDSA-N 2 2 324.428 3.017 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647504274 436069442 /nfs/dbraw/zinc/06/94/42/436069442.db2.gz NQHXOFQLABPVNE-MRXNPFEDSA-N 2 2 324.428 3.017 20 0 DGADLP COc1ccc(-c2nc(C[NH+]3CCC(C)([NH3+])CC3)cs2)cc1 ZINC000647531443 436073299 /nfs/dbraw/zinc/07/32/99/436073299.db2.gz XFRFBCYJMPIKSM-UHFFFAOYSA-N 2 2 317.458 3.132 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534394 436075056 /nfs/dbraw/zinc/07/50/56/436075056.db2.gz MMNGXWFQSGKHSH-XPKDYRNWSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534394 436075059 /nfs/dbraw/zinc/07/50/59/436075059.db2.gz MMNGXWFQSGKHSH-XPKDYRNWSA-N 2 2 312.379 3.493 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc(C)c1OC(F)F ZINC000647533730 436075480 /nfs/dbraw/zinc/07/54/80/436075480.db2.gz XPYREFYRPRPETC-CABCVRRESA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc(C)c1OC(F)F ZINC000647533730 436075485 /nfs/dbraw/zinc/07/54/85/436075485.db2.gz XPYREFYRPRPETC-CABCVRRESA-N 2 2 310.388 3.089 20 0 DGADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000647549428 436081488 /nfs/dbraw/zinc/08/14/88/436081488.db2.gz ZKKWXSJEOFIFDP-DYESRHJHSA-N 2 2 324.468 3.491 20 0 DGADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000647551124 436082986 /nfs/dbraw/zinc/08/29/86/436082986.db2.gz YQNGHKGULRYPIW-CZUORRHYSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000647550730 436083794 /nfs/dbraw/zinc/08/37/94/436083794.db2.gz FANGDGOEYAEGCL-UKRRQHHQSA-N 2 2 315.392 3.101 20 0 DGADLP CCCOc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OC ZINC000647554233 436083900 /nfs/dbraw/zinc/08/39/00/436083900.db2.gz UTJFZSRBMGSJES-GOSISDBHSA-N 2 2 318.461 3.248 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(OC2CC2)c1F)C[NH+]1CCCC1 ZINC000657319419 436133806 /nfs/dbraw/zinc/13/38/06/436133806.db2.gz YAKCNKKEWTVRJW-AWEZNQCLSA-N 2 2 306.425 3.188 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1OC1CCCC1)CCC2 ZINC000657319406 436134382 /nfs/dbraw/zinc/13/43/82/436134382.db2.gz XHVQVDFWCVQECS-UHFFFAOYSA-N 2 2 311.429 3.441 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(F)c1OC(F)F)Cn1cc[nH+]c1 ZINC000657333967 436142081 /nfs/dbraw/zinc/14/20/81/436142081.db2.gz GRZQGMYQTVSXFR-LLVKDONJSA-N 2 2 313.323 3.050 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H](c1ccccc1)c1ccncc1)CCC2 ZINC000657331673 436142662 /nfs/dbraw/zinc/14/26/62/436142662.db2.gz LAKDYUYJRLBJOU-IBGZPJMESA-N 2 2 304.397 3.104 20 0 DGADLP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccc1Br ZINC000657336922 436145208 /nfs/dbraw/zinc/14/52/08/436145208.db2.gz AQARRAQZMRGQQW-UHFFFAOYSA-N 2 2 324.197 3.021 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@@H+]1C ZINC000647910993 436146436 /nfs/dbraw/zinc/14/64/36/436146436.db2.gz NLILNGJOOYQSHA-IUODEOHRSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@H+]1C ZINC000647910993 436146442 /nfs/dbraw/zinc/14/64/42/436146442.db2.gz NLILNGJOOYQSHA-IUODEOHRSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910993 436146445 /nfs/dbraw/zinc/14/64/45/436146445.db2.gz NLILNGJOOYQSHA-IUODEOHRSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910993 436146450 /nfs/dbraw/zinc/14/64/50/436146450.db2.gz NLILNGJOOYQSHA-IUODEOHRSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000647911695 436146977 /nfs/dbraw/zinc/14/69/77/436146977.db2.gz HBMXWDPSRUBXRY-QAPCUYQASA-N 2 2 319.518 3.482 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000651238833 436147103 /nfs/dbraw/zinc/14/71/03/436147103.db2.gz HOKMPXMQMBAVKA-RDJZCZTQSA-N 2 2 323.444 3.271 20 0 DGADLP CC1([NH3+])CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000647926551 436152123 /nfs/dbraw/zinc/15/21/23/436152123.db2.gz FKYHOTOEENBZLV-SFHVURJKSA-N 2 2 323.440 3.180 20 0 DGADLP CC(C)c1ccc(-c2noc(C[NH+]3CCC(C)([NH3+])CC3)n2)cc1 ZINC000647926934 436152334 /nfs/dbraw/zinc/15/23/34/436152334.db2.gz SKKYJNITYWPOCH-UHFFFAOYSA-N 2 2 314.433 3.173 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653115695 436112870 /nfs/dbraw/zinc/11/28/70/436112870.db2.gz XLHBEGRWCYFDPI-GDBMZVCRSA-N 2 2 324.428 3.300 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000651130759 436117185 /nfs/dbraw/zinc/11/71/85/436117185.db2.gz KIAZYUZUTOSUHF-AHRSYUTCSA-N 2 2 312.457 3.044 20 0 DGADLP Fc1cccc2c1SCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657298240 436122431 /nfs/dbraw/zinc/12/24/31/436122431.db2.gz MYWGLYHSIYVULJ-CQSZACIVSA-N 2 2 303.406 3.295 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000657297343 436122587 /nfs/dbraw/zinc/12/25/87/436122587.db2.gz MAETVENJZJBCOC-MSOLQXFVSA-N 2 2 322.880 3.462 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000647959918 436156993 /nfs/dbraw/zinc/15/69/93/436156993.db2.gz UYCOLQBSIIQWGO-PBHICJAKSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000647959918 436156994 /nfs/dbraw/zinc/15/69/94/436156994.db2.gz UYCOLQBSIIQWGO-PBHICJAKSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000647959918 436156999 /nfs/dbraw/zinc/15/69/99/436156999.db2.gz UYCOLQBSIIQWGO-PBHICJAKSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000647959918 436157000 /nfs/dbraw/zinc/15/70/00/436157000.db2.gz UYCOLQBSIIQWGO-PBHICJAKSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959934 436158779 /nfs/dbraw/zinc/15/87/79/436158779.db2.gz VOUQKZYNHHOYNG-HNNXBMFYSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959934 436158784 /nfs/dbraw/zinc/15/87/84/436158784.db2.gz VOUQKZYNHHOYNG-HNNXBMFYSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959934 436158788 /nfs/dbraw/zinc/15/87/88/436158788.db2.gz VOUQKZYNHHOYNG-HNNXBMFYSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959934 436158794 /nfs/dbraw/zinc/15/87/94/436158794.db2.gz VOUQKZYNHHOYNG-HNNXBMFYSA-N 2 2 319.276 3.126 20 0 DGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000651263086 436159310 /nfs/dbraw/zinc/15/93/10/436159310.db2.gz CAGUOQHSVFYLRI-CVEARBPZSA-N 2 2 317.477 3.428 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@H]1[NH3+] ZINC000647938937 436155483 /nfs/dbraw/zinc/15/54/83/436155483.db2.gz XFRXHHZFOHNKFE-UMVBOHGHSA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@H]1[NH3+] ZINC000647938937 436155491 /nfs/dbraw/zinc/15/54/91/436155491.db2.gz XFRXHHZFOHNKFE-UMVBOHGHSA-N 2 2 323.868 3.035 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960172 436163187 /nfs/dbraw/zinc/16/31/87/436163187.db2.gz JTNYJDUJQJIDCK-IAGOWNOFSA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960172 436163190 /nfs/dbraw/zinc/16/31/90/436163190.db2.gz JTNYJDUJQJIDCK-IAGOWNOFSA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960172 436163195 /nfs/dbraw/zinc/16/31/95/436163195.db2.gz JTNYJDUJQJIDCK-IAGOWNOFSA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960172 436163199 /nfs/dbraw/zinc/16/31/99/436163199.db2.gz JTNYJDUJQJIDCK-IAGOWNOFSA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000647970250 436164623 /nfs/dbraw/zinc/16/46/23/436164623.db2.gz IOJBHKQFOFRELG-RYUDHWBXSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000647970250 436164627 /nfs/dbraw/zinc/16/46/27/436164627.db2.gz IOJBHKQFOFRELG-RYUDHWBXSA-N 2 2 319.276 3.345 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000651355618 436171630 /nfs/dbraw/zinc/17/16/30/436171630.db2.gz PRQRSHKJCQCSJP-PKFCDNJMSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000651355618 436171636 /nfs/dbraw/zinc/17/16/36/436171636.db2.gz PRQRSHKJCQCSJP-PKFCDNJMSA-N 2 2 315.230 3.189 20 0 DGADLP CC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccccc1Cl ZINC000657386103 436172127 /nfs/dbraw/zinc/17/21/27/436172127.db2.gz BGKOZYRKCVKLSE-CQSZACIVSA-N 2 2 319.836 3.430 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657390992 436176629 /nfs/dbraw/zinc/17/66/29/436176629.db2.gz GOIHWSXHKUMAPA-RYUDHWBXSA-N 2 2 301.356 3.288 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000648013750 436181641 /nfs/dbraw/zinc/18/16/41/436181641.db2.gz QAPNRZYFLYYQRG-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000648013750 436181649 /nfs/dbraw/zinc/18/16/49/436181649.db2.gz QAPNRZYFLYYQRG-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000648013750 436181653 /nfs/dbraw/zinc/18/16/53/436181653.db2.gz QAPNRZYFLYYQRG-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000648013750 436181661 /nfs/dbraw/zinc/18/16/61/436181661.db2.gz QAPNRZYFLYYQRG-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000657525260 436235724 /nfs/dbraw/zinc/23/57/24/436235724.db2.gz WVHBAGNVOLCWLH-ZDUSSCGKSA-N 2 2 324.852 3.074 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000657525260 436235728 /nfs/dbraw/zinc/23/57/28/436235728.db2.gz WVHBAGNVOLCWLH-ZDUSSCGKSA-N 2 2 324.852 3.074 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536768 436238159 /nfs/dbraw/zinc/23/81/59/436238159.db2.gz ZMHAHZNGPFEQDB-ZIFCJYIRSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536768 436238164 /nfs/dbraw/zinc/23/81/64/436238164.db2.gz ZMHAHZNGPFEQDB-ZIFCJYIRSA-N 2 2 309.457 3.438 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657417595 436188852 /nfs/dbraw/zinc/18/88/52/436188852.db2.gz QQXMAMGSRPKQSW-UHFFFAOYSA-N 2 2 310.319 3.463 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000666264747 436189428 /nfs/dbraw/zinc/18/94/28/436189428.db2.gz MZCGZZSGUIRPCI-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000666264747 436189431 /nfs/dbraw/zinc/18/94/31/436189431.db2.gz MZCGZZSGUIRPCI-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)CC3 ZINC000657428887 436195107 /nfs/dbraw/zinc/19/51/07/436195107.db2.gz CQPIODDQVUGOQH-AWEZNQCLSA-N 2 2 320.440 3.266 20 0 DGADLP CC(C)n1cc[nH+]c1CN[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000657439060 436202872 /nfs/dbraw/zinc/20/28/72/436202872.db2.gz SKICJRVIROEPQC-YJBOKZPZSA-N 2 2 300.450 3.245 20 0 DGADLP CCOc1ccc(C[C@@H](C)C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000657488541 436224511 /nfs/dbraw/zinc/22/45/11/436224511.db2.gz QTOPCIBRPGIOOE-CQSZACIVSA-N 2 2 301.434 3.096 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1csc(Br)c1 ZINC000657522214 436233025 /nfs/dbraw/zinc/23/30/25/436233025.db2.gz BPBPUBSEYLINQJ-LLVKDONJSA-N 2 2 317.296 3.473 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1csc(Br)c1 ZINC000657522214 436233030 /nfs/dbraw/zinc/23/30/30/436233030.db2.gz BPBPUBSEYLINQJ-LLVKDONJSA-N 2 2 317.296 3.473 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522823 436233387 /nfs/dbraw/zinc/23/33/87/436233387.db2.gz DZJQSQRVANJARZ-QGZVFWFLSA-N 2 2 312.461 3.348 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522823 436233390 /nfs/dbraw/zinc/23/33/90/436233390.db2.gz DZJQSQRVANJARZ-QGZVFWFLSA-N 2 2 312.461 3.348 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159328 436288307 /nfs/dbraw/zinc/28/83/07/436288307.db2.gz YCOMBMJDSHIUKB-QZTJIDSGSA-N 2 2 322.880 3.322 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159328 436288311 /nfs/dbraw/zinc/28/83/11/436288311.db2.gz YCOMBMJDSHIUKB-QZTJIDSGSA-N 2 2 322.880 3.322 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657740448 436292213 /nfs/dbraw/zinc/29/22/13/436292213.db2.gz SFTUNUYJLGUBFD-CUYAVPTFSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000657740448 436292216 /nfs/dbraw/zinc/29/22/16/436292216.db2.gz SFTUNUYJLGUBFD-CUYAVPTFSA-N 2 2 316.489 3.180 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000657741295 436292353 /nfs/dbraw/zinc/29/23/53/436292353.db2.gz GHTPWEHOQYMGKK-BAILOTOSSA-N 2 2 302.462 3.310 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000657741295 436292357 /nfs/dbraw/zinc/29/23/57/436292357.db2.gz GHTPWEHOQYMGKK-BAILOTOSSA-N 2 2 302.462 3.310 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000657741293 436292478 /nfs/dbraw/zinc/29/24/78/436292478.db2.gz GHTPWEHOQYMGKK-APEZIOSESA-N 2 2 302.462 3.310 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C(C)=C/c2ccccc2COC)C1 ZINC000657741293 436292483 /nfs/dbraw/zinc/29/24/83/436292483.db2.gz GHTPWEHOQYMGKK-APEZIOSESA-N 2 2 302.462 3.310 20 0 DGADLP Cc1[nH+]cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1-c1ccccc1 ZINC000657562834 436246323 /nfs/dbraw/zinc/24/63/23/436246323.db2.gz PVEGGUGKFMXHQD-MRXNPFEDSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1[nH+]cc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)n1-c1ccccc1 ZINC000657562834 436246325 /nfs/dbraw/zinc/24/63/25/436246325.db2.gz PVEGGUGKFMXHQD-MRXNPFEDSA-N 2 2 312.461 3.143 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657610811 436259892 /nfs/dbraw/zinc/25/98/92/436259892.db2.gz FTDFJXOCPBAZAT-QAQDUYKDSA-N 2 2 322.880 3.462 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657638776 436266093 /nfs/dbraw/zinc/26/60/93/436266093.db2.gz WSHYKNCDXYQHKI-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657638776 436266096 /nfs/dbraw/zinc/26/60/96/436266096.db2.gz WSHYKNCDXYQHKI-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC2(COC2)C1 ZINC000662074939 436266257 /nfs/dbraw/zinc/26/62/57/436266257.db2.gz UDYCYPKPJNHYPI-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC2(COC2)C1 ZINC000662074939 436266260 /nfs/dbraw/zinc/26/62/60/436266260.db2.gz UDYCYPKPJNHYPI-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCOC(C)(C)C ZINC000657637973 436266623 /nfs/dbraw/zinc/26/66/23/436266623.db2.gz NZARQJZIXVNWRU-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCOC(C)(C)C ZINC000657637973 436266628 /nfs/dbraw/zinc/26/66/28/436266628.db2.gz NZARQJZIXVNWRU-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP c1cn(CCC[NH+]2CCC(c3ccc4cccnc4n3)CC2)c[nH+]1 ZINC000653806160 436267609 /nfs/dbraw/zinc/26/76/09/436267609.db2.gz KLNRNPKILZMNGP-UHFFFAOYSA-N 2 2 321.428 3.096 20 0 DGADLP Brc1ccc([C@H]2CC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000662091016 436272016 /nfs/dbraw/zinc/27/20/16/436272016.db2.gz CDCUBWYLYBCIMJ-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccc([C@H]2CC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000662091016 436272021 /nfs/dbraw/zinc/27/20/21/436272021.db2.gz CDCUBWYLYBCIMJ-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccc([C@@H]2CC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000662091015 436272680 /nfs/dbraw/zinc/27/26/80/436272680.db2.gz CDCUBWYLYBCIMJ-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccc([C@@H]2CC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000662091015 436272683 /nfs/dbraw/zinc/27/26/83/436272683.db2.gz CDCUBWYLYBCIMJ-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1Cl ZINC000666770257 436279361 /nfs/dbraw/zinc/27/93/61/436279361.db2.gz QJDUMVQEUDDZJL-DZGCQCFKSA-N 2 2 323.868 3.097 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000657692671 436280428 /nfs/dbraw/zinc/28/04/28/436280428.db2.gz BTQYILHDYNOPGK-FQEVSTJZSA-N 2 2 323.440 3.029 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976768 436349042 /nfs/dbraw/zinc/34/90/42/436349042.db2.gz FDDWTXKAYQQLSO-RHSMWYFYSA-N 2 2 308.416 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976768 436349043 /nfs/dbraw/zinc/34/90/43/436349043.db2.gz FDDWTXKAYQQLSO-RHSMWYFYSA-N 2 2 308.416 3.184 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2COC3(CCC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000657980903 436350533 /nfs/dbraw/zinc/35/05/33/436350533.db2.gz QEDLMSNHXIVNQY-OALUTQOASA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2COC3(CCC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000657980903 436350535 /nfs/dbraw/zinc/35/05/35/436350535.db2.gz QEDLMSNHXIVNQY-OALUTQOASA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666879675 436299675 /nfs/dbraw/zinc/29/96/75/436299675.db2.gz XCUIZRBTSCLEOM-BXKDBHETSA-N 2 2 304.768 3.029 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662217187 436304461 /nfs/dbraw/zinc/30/44/61/436304461.db2.gz WSIZPQXSUQYPPE-UHFFFAOYSA-N 2 2 309.413 3.132 20 0 DGADLP Fc1ccc(OC(F)F)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000662233299 436305745 /nfs/dbraw/zinc/30/57/45/436305745.db2.gz DCYZKKHOVOZACH-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1ccc(OC(F)F)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000662233299 436305748 /nfs/dbraw/zinc/30/57/48/436305748.db2.gz DCYZKKHOVOZACH-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)[C@H]21 ZINC000657791396 436306684 /nfs/dbraw/zinc/30/66/84/436306684.db2.gz RUVBSCTZAADOBZ-ZCNNSNEGSA-N 2 2 319.383 3.439 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662249692 436310777 /nfs/dbraw/zinc/31/07/77/436310777.db2.gz YDNGLKUWFUHSLQ-FXAWDEMLSA-N 2 2 310.441 3.238 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662249692 436310779 /nfs/dbraw/zinc/31/07/79/436310779.db2.gz YDNGLKUWFUHSLQ-FXAWDEMLSA-N 2 2 310.441 3.238 20 0 DGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCCSCC2)cc1 ZINC000658007718 436353068 /nfs/dbraw/zinc/35/30/68/436353068.db2.gz WHVCRFAGTURPEO-WBVHZDCISA-N 2 2 308.491 3.173 20 0 DGADLP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662250811 436312672 /nfs/dbraw/zinc/31/26/72/436312672.db2.gz OQRVXYIGNIQQIZ-MSOLQXFVSA-N 2 2 302.462 3.109 20 0 DGADLP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662250811 436312675 /nfs/dbraw/zinc/31/26/75/436312675.db2.gz OQRVXYIGNIQQIZ-MSOLQXFVSA-N 2 2 302.462 3.109 20 0 DGADLP COC1([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)CCC1 ZINC000657820358 436318530 /nfs/dbraw/zinc/31/85/30/436318530.db2.gz JLFSTBWJHIXWND-AWEZNQCLSA-N 2 2 301.434 3.282 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)sc2c1 ZINC000666993662 436320969 /nfs/dbraw/zinc/32/09/69/436320969.db2.gz ABTIGNLLZFDAPR-LBPRGKRZSA-N 2 2 317.458 3.069 20 0 DGADLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000657842392 436322941 /nfs/dbraw/zinc/32/29/41/436322941.db2.gz BIOQUYQGZGQHMI-HNNXBMFYSA-N 2 2 320.452 3.337 20 0 DGADLP CCOC1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000657841363 436323561 /nfs/dbraw/zinc/32/35/61/436323561.db2.gz DZJXFZQMZYAVIO-XBMUEBEBSA-N 2 2 304.478 3.097 20 0 DGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccccc1OCc1ccccc1 ZINC000662305305 436327195 /nfs/dbraw/zinc/32/71/95/436327195.db2.gz HPNDFDPYULMCLD-UHFFFAOYSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1OCc1ccccc1 ZINC000662305305 436327197 /nfs/dbraw/zinc/32/71/97/436327197.db2.gz HPNDFDPYULMCLD-UHFFFAOYSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+]C[C@H]1CCc2ccccc2N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000662304042 436327985 /nfs/dbraw/zinc/32/79/85/436327985.db2.gz DHTIPHMBOZHBAB-LJQANCHMSA-N 2 2 318.424 3.152 20 0 DGADLP FCC1(CF)CC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000657883459 436333408 /nfs/dbraw/zinc/33/34/08/436333408.db2.gz SFYDJMQNJIGMTA-QGZVFWFLSA-N 2 2 308.416 3.328 20 0 DGADLP FCC1(CF)CC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000657883459 436333413 /nfs/dbraw/zinc/33/34/13/436333413.db2.gz SFYDJMQNJIGMTA-QGZVFWFLSA-N 2 2 308.416 3.328 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000657901173 436337031 /nfs/dbraw/zinc/33/70/31/436337031.db2.gz OWVWZVBBXRNGCB-KRWDZBQOSA-N 2 2 324.896 3.362 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057650 436361081 /nfs/dbraw/zinc/36/10/81/436361081.db2.gz PQSKXQHUUGPFFA-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057650 436361083 /nfs/dbraw/zinc/36/10/83/436361083.db2.gz PQSKXQHUUGPFFA-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000658058658 436361194 /nfs/dbraw/zinc/36/11/94/436361194.db2.gz FVVQPPUFXPBTPS-WCQYABFASA-N 2 2 311.857 3.267 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000658058658 436361197 /nfs/dbraw/zinc/36/11/97/436361197.db2.gz FVVQPPUFXPBTPS-WCQYABFASA-N 2 2 311.857 3.267 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059230 436361292 /nfs/dbraw/zinc/36/12/92/436361292.db2.gz WIWQNLIXHJHIJQ-QAPCUYQASA-N 2 2 312.461 3.396 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059230 436361295 /nfs/dbraw/zinc/36/12/95/436361295.db2.gz WIWQNLIXHJHIJQ-QAPCUYQASA-N 2 2 312.461 3.396 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658060258 436363099 /nfs/dbraw/zinc/36/30/99/436363099.db2.gz YOAFVFMPVASLEB-KBPBESRZSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658060258 436363100 /nfs/dbraw/zinc/36/31/00/436363100.db2.gz YOAFVFMPVASLEB-KBPBESRZSA-N 2 2 306.450 3.227 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658060148 436363918 /nfs/dbraw/zinc/36/39/18/436363918.db2.gz JVQLBITVAIZMES-GDBMZVCRSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658060148 436363921 /nfs/dbraw/zinc/36/39/21/436363921.db2.gz JVQLBITVAIZMES-GDBMZVCRSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092657 436371189 /nfs/dbraw/zinc/37/11/89/436371189.db2.gz RAHQCPOGUQOKMW-GDBMZVCRSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092657 436371195 /nfs/dbraw/zinc/37/11/95/436371195.db2.gz RAHQCPOGUQOKMW-GDBMZVCRSA-N 2 2 318.461 3.199 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658089825 436371342 /nfs/dbraw/zinc/37/13/42/436371342.db2.gz BFHKFGIWIOTERJ-WBVHZDCISA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658089825 436371346 /nfs/dbraw/zinc/37/13/46/436371346.db2.gz BFHKFGIWIOTERJ-WBVHZDCISA-N 2 2 304.478 3.479 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091646 436371474 /nfs/dbraw/zinc/37/14/74/436371474.db2.gz MUMZSSBATNAEJH-WBVHZDCISA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091646 436371475 /nfs/dbraw/zinc/37/14/75/436371475.db2.gz MUMZSSBATNAEJH-WBVHZDCISA-N 2 2 317.477 3.175 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000658090565 436371581 /nfs/dbraw/zinc/37/15/81/436371581.db2.gz HVIZGJPKDMDXEO-HOCLYGCPSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1OC ZINC000658090565 436371585 /nfs/dbraw/zinc/37/15/85/436371585.db2.gz HVIZGJPKDMDXEO-HOCLYGCPSA-N 2 2 320.477 3.097 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091642 436372443 /nfs/dbraw/zinc/37/24/43/436372443.db2.gz MUMZSSBATNAEJH-NVXWUHKLSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091642 436372445 /nfs/dbraw/zinc/37/24/45/436372445.db2.gz MUMZSSBATNAEJH-NVXWUHKLSA-N 2 2 317.477 3.175 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC000658096274 436373756 /nfs/dbraw/zinc/37/37/56/436373756.db2.gz PECGSJZNTYBQOC-HZPDHXFCSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC000658096274 436373759 /nfs/dbraw/zinc/37/37/59/436373759.db2.gz PECGSJZNTYBQOC-HZPDHXFCSA-N 2 2 302.462 3.015 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000658125777 436382615 /nfs/dbraw/zinc/38/26/15/436382615.db2.gz YJNMWSIJPHVGMT-HNNXBMFYSA-N 2 2 322.415 3.339 20 0 DGADLP c1c[nH+]c([C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229902 436406146 /nfs/dbraw/zinc/40/61/46/436406146.db2.gz ULXDIUNVUSGGPV-PKOBYXMFSA-N 2 2 324.472 3.496 20 0 DGADLP c1c[nH+]c([C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229902 436406149 /nfs/dbraw/zinc/40/61/49/436406149.db2.gz ULXDIUNVUSGGPV-PKOBYXMFSA-N 2 2 324.472 3.496 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000658238907 436408260 /nfs/dbraw/zinc/40/82/60/436408260.db2.gz MDNGUJTVRXVNFR-SFHVURJKSA-N 2 2 309.413 3.033 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056031 436359305 /nfs/dbraw/zinc/35/93/05/436359305.db2.gz KGKVXVPHSIXIHI-DOTOQJQBSA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056031 436359308 /nfs/dbraw/zinc/35/93/08/436359308.db2.gz KGKVXVPHSIXIHI-DOTOQJQBSA-N 2 2 304.478 3.479 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccco1 ZINC000658326549 436431406 /nfs/dbraw/zinc/43/14/06/436431406.db2.gz HCOGKOJKXAMIEK-APWZRJJASA-N 2 2 313.445 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccco1 ZINC000658326549 436431409 /nfs/dbraw/zinc/43/14/09/436431409.db2.gz HCOGKOJKXAMIEK-APWZRJJASA-N 2 2 313.445 3.107 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327267 436431757 /nfs/dbraw/zinc/43/17/57/436431757.db2.gz NOQJNMSIRCBNMD-RISCZKNCSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327267 436431761 /nfs/dbraw/zinc/43/17/61/436431761.db2.gz NOQJNMSIRCBNMD-RISCZKNCSA-N 2 2 316.367 3.247 20 0 DGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663345668 436442645 /nfs/dbraw/zinc/44/26/45/436442645.db2.gz NDJGJASFLCTMHK-GOSISDBHSA-N 2 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663345668 436442647 /nfs/dbraw/zinc/44/26/47/436442647.db2.gz NDJGJASFLCTMHK-GOSISDBHSA-N 2 2 324.472 3.084 20 0 DGADLP CC(C)[N@H+](C)CC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663405536 436454484 /nfs/dbraw/zinc/45/44/84/436454484.db2.gz YLXBEUQTIIROHI-UHFFFAOYSA-N 2 2 312.461 3.374 20 0 DGADLP CC(C)[N@@H+](C)CC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663405536 436454487 /nfs/dbraw/zinc/45/44/87/436454487.db2.gz YLXBEUQTIIROHI-UHFFFAOYSA-N 2 2 312.461 3.374 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464957 436464085 /nfs/dbraw/zinc/46/40/85/436464085.db2.gz HORVSTRJDAJWFQ-DOTOQJQBSA-N 2 2 312.461 3.107 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464957 436464086 /nfs/dbraw/zinc/46/40/86/436464086.db2.gz HORVSTRJDAJWFQ-DOTOQJQBSA-N 2 2 312.461 3.107 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286125 436417365 /nfs/dbraw/zinc/41/73/65/436417365.db2.gz PBWMKHJRWKQYPF-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286125 436417369 /nfs/dbraw/zinc/41/73/69/436417369.db2.gz PBWMKHJRWKQYPF-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286271 436418586 /nfs/dbraw/zinc/41/85/86/436418586.db2.gz QVHMMSPBDXRSKV-PBHICJAKSA-N 2 2 317.433 3.304 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286271 436418589 /nfs/dbraw/zinc/41/85/89/436418589.db2.gz QVHMMSPBDXRSKV-PBHICJAKSA-N 2 2 317.433 3.304 20 0 DGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)o1 ZINC000658294860 436420676 /nfs/dbraw/zinc/42/06/76/436420676.db2.gz PRKSSYXDFBCVAR-IEBWSBKVSA-N 2 2 318.461 3.272 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499015 436470270 /nfs/dbraw/zinc/47/02/70/436470270.db2.gz UTKJKXXOTRIFSP-UHFFFAOYSA-N 2 2 308.425 3.204 20 0 DGADLP Cc1cc(C(F)(F)F)cc(NC[C@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000663688221 436492073 /nfs/dbraw/zinc/49/20/73/436492073.db2.gz WNHLAJOMNGSDEJ-CYBMUJFWSA-N 2 2 319.396 3.258 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000660010077 436579040 /nfs/dbraw/zinc/57/90/40/436579040.db2.gz FONMDLVXLLIUHM-HIFRSBDPSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000660010077 436579041 /nfs/dbraw/zinc/57/90/41/436579041.db2.gz FONMDLVXLLIUHM-HIFRSBDPSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1Cl ZINC000660010077 436579045 /nfs/dbraw/zinc/57/90/45/436579045.db2.gz FONMDLVXLLIUHM-HIFRSBDPSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010077 436579046 /nfs/dbraw/zinc/57/90/46/436579046.db2.gz FONMDLVXLLIUHM-HIFRSBDPSA-N 2 2 308.853 3.265 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)C3(CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000663957746 436533811 /nfs/dbraw/zinc/53/38/11/436533811.db2.gz PHRAIUXELJLRJW-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP Cc1cc(N2CC[N@H+](C)C3(CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000663957746 436533813 /nfs/dbraw/zinc/53/38/13/436533813.db2.gz PHRAIUXELJLRJW-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C)n1 ZINC000659879238 436553648 /nfs/dbraw/zinc/55/36/48/436553648.db2.gz VAAWBYFPCSMRGT-SFHVURJKSA-N 2 2 316.493 3.181 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C)n1 ZINC000659879238 436553652 /nfs/dbraw/zinc/55/36/52/436553652.db2.gz VAAWBYFPCSMRGT-SFHVURJKSA-N 2 2 316.493 3.181 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929341 436560962 /nfs/dbraw/zinc/56/09/62/436560962.db2.gz RETDGDKSNNVVJC-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929341 436560968 /nfs/dbraw/zinc/56/09/68/436560968.db2.gz RETDGDKSNNVVJC-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929341 436560971 /nfs/dbraw/zinc/56/09/71/436560971.db2.gz RETDGDKSNNVVJC-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929341 436560974 /nfs/dbraw/zinc/56/09/74/436560974.db2.gz RETDGDKSNNVVJC-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP c1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659946761 436564636 /nfs/dbraw/zinc/56/46/36/436564636.db2.gz HNVKFJJUEVMXCW-AWEZNQCLSA-N 2 2 301.459 3.214 20 0 DGADLP c1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659946761 436564639 /nfs/dbraw/zinc/56/46/39/436564639.db2.gz HNVKFJJUEVMXCW-AWEZNQCLSA-N 2 2 301.459 3.214 20 0 DGADLP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655685654 436574542 /nfs/dbraw/zinc/57/45/42/436574542.db2.gz KDYQTIDMXNNCMN-KURKYZTESA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655684376 436574663 /nfs/dbraw/zinc/57/46/63/436574663.db2.gz QJVPCVNVMABYNR-DYVFJYSZSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)s1 ZINC000655692042 436576107 /nfs/dbraw/zinc/57/61/07/436576107.db2.gz COQQQDJAUKXPOY-CJNGLKHVSA-N 2 2 308.491 3.269 20 0 DGADLP C[N@H+](CCO[C@H]1CC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074685 436586038 /nfs/dbraw/zinc/58/60/38/436586038.db2.gz SMZAGFDXQGJHQG-KRWDZBQOSA-N 2 2 324.415 3.007 20 0 DGADLP C[N@@H+](CCO[C@H]1CC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074685 436586040 /nfs/dbraw/zinc/58/60/40/436586040.db2.gz SMZAGFDXQGJHQG-KRWDZBQOSA-N 2 2 324.415 3.007 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660386714 436629527 /nfs/dbraw/zinc/62/95/27/436629527.db2.gz BQJCNNHUZRFHNZ-NUABRCLCSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660386714 436629530 /nfs/dbraw/zinc/62/95/30/436629530.db2.gz BQJCNNHUZRFHNZ-NUABRCLCSA-N 2 2 313.489 3.318 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2cnc3ccccc3c2)cc1 ZINC000423304515 303130719 /nfs/dbraw/zinc/13/07/19/303130719.db2.gz OGPLTFPDKPCZFB-HXUWFJFHSA-N 2 2 321.399 3.272 20 0 DGADLP C[NH+](C)CCN(Cc1cn2cc(Cl)ccc2[nH+]1)C1CCCC1 ZINC000179121348 312797551 /nfs/dbraw/zinc/79/75/51/312797551.db2.gz NNQGONHSTQDQHO-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727553 313067056 /nfs/dbraw/zinc/06/70/56/313067056.db2.gz HKGIGXZALUYROY-KRWDZBQOSA-N 2 2 302.462 3.243 20 0 DGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528732184 313067694 /nfs/dbraw/zinc/06/76/94/313067694.db2.gz XZVIMBVXDOIQMF-OAHLLOKOSA-N 2 2 306.425 3.073 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)c[nH+]1 ZINC000528731145 313068138 /nfs/dbraw/zinc/06/81/38/313068138.db2.gz RDNFNNJQXMUGEP-LJQANCHMSA-N 2 2 311.429 3.133 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)c[nH+]1 ZINC000528731145 313068141 /nfs/dbraw/zinc/06/81/41/313068141.db2.gz RDNFNNJQXMUGEP-LJQANCHMSA-N 2 2 311.429 3.133 20 0 DGADLP C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000528772196 313079880 /nfs/dbraw/zinc/07/98/80/313079880.db2.gz LBCMRWOTLKVGKB-OAHLLOKOSA-N 2 2 324.415 3.138 20 0 DGADLP C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000528772196 313079885 /nfs/dbraw/zinc/07/98/85/313079885.db2.gz LBCMRWOTLKVGKB-OAHLLOKOSA-N 2 2 324.415 3.138 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529567752 313229199 /nfs/dbraw/zinc/22/91/99/313229199.db2.gz PJAORYFPFUHUNS-NSHDSACASA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529567752 313229202 /nfs/dbraw/zinc/22/92/02/313229202.db2.gz PJAORYFPFUHUNS-NSHDSACASA-N 2 2 315.364 3.490 20 0 DGADLP C/C(=C/c1ccccc1)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529662335 313249301 /nfs/dbraw/zinc/24/93/01/313249301.db2.gz DOOWPYLBVDXLMC-VLGSPTGOSA-N 2 2 314.473 3.277 20 0 DGADLP CC(C)(C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000529662468 313249592 /nfs/dbraw/zinc/24/95/92/313249592.db2.gz GVLBMWUHYBYNGW-UHFFFAOYSA-N 2 2 316.489 3.151 20 0 DGADLP FC(F)(F)COc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178809 313334624 /nfs/dbraw/zinc/33/46/24/313334624.db2.gz NZLXRLYTGLHPHD-AWEZNQCLSA-N 2 2 314.351 3.002 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC)c(OC)c1 ZINC000530226347 313343341 /nfs/dbraw/zinc/34/33/41/313343341.db2.gz ZYHPAZPKOGANIP-YOEHRIQHSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@H](C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)C[NH+]1CCOCC1 ZINC000532230860 313529712 /nfs/dbraw/zinc/52/97/12/313529712.db2.gz OQLXNBGRHDVVNG-CLCXKQKWSA-N 2 2 320.452 3.007 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000542661633 314088571 /nfs/dbraw/zinc/08/85/71/314088571.db2.gz CJOKSMMSXNOBMO-GOSISDBHSA-N 2 2 306.450 3.130 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000543591961 314143445 /nfs/dbraw/zinc/14/34/45/314143445.db2.gz OKCILXBQKXWSHD-LJQANCHMSA-N 2 2 310.445 3.028 20 0 DGADLP c1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2cncnc2)cc1 ZINC000544566065 314198854 /nfs/dbraw/zinc/19/88/54/314198854.db2.gz SSYBTDAVPRZNOS-IBGZPJMESA-N 2 2 319.412 3.053 20 0 DGADLP CCC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545204768 314232920 /nfs/dbraw/zinc/23/29/20/314232920.db2.gz WCAPHGOUAQVKHA-FUHWJXTLSA-N 2 2 324.509 3.353 20 0 DGADLP CCC(CC)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000545899393 314273322 /nfs/dbraw/zinc/27/33/22/314273322.db2.gz ATMMTKPONNAKMV-UHFFFAOYSA-N 2 2 316.449 3.038 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548307124 314436795 /nfs/dbraw/zinc/43/67/95/314436795.db2.gz WULLQDPVVDNXQH-WCQYABFASA-N 2 2 305.809 3.211 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(CC)CC ZINC000551563231 314566716 /nfs/dbraw/zinc/56/67/16/314566716.db2.gz DNZHOESZSMVSLP-HZPDHXFCSA-N 2 2 305.466 3.293 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000563053159 315074382 /nfs/dbraw/zinc/07/43/82/315074382.db2.gz VOMKLHIRSJHRAM-CXAGYDPISA-N 2 2 302.443 3.286 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563135817 315082603 /nfs/dbraw/zinc/08/26/03/315082603.db2.gz UQTXDLHNBIYPKZ-LSDHHAIUSA-N 2 2 305.491 3.232 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563135817 315082606 /nfs/dbraw/zinc/08/26/06/315082606.db2.gz UQTXDLHNBIYPKZ-LSDHHAIUSA-N 2 2 305.491 3.232 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1 ZINC000563427450 315114634 /nfs/dbraw/zinc/11/46/34/315114634.db2.gz GEJZAJVCJYCHTM-AWEZNQCLSA-N 2 2 312.442 3.063 20 0 DGADLP CC(C)C[C@H](C)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000564301665 315167333 /nfs/dbraw/zinc/16/73/33/315167333.db2.gz YXUOOKKJJHMUTL-INIZCTEOSA-N 2 2 318.509 3.128 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322898 315169173 /nfs/dbraw/zinc/16/91/73/315169173.db2.gz COBNFIODWWWWHF-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322898 315169176 /nfs/dbraw/zinc/16/91/76/315169176.db2.gz COBNFIODWWWWHF-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322898 315169178 /nfs/dbraw/zinc/16/91/78/315169178.db2.gz COBNFIODWWWWHF-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322898 315169181 /nfs/dbraw/zinc/16/91/81/315169181.db2.gz COBNFIODWWWWHF-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000564481904 315178818 /nfs/dbraw/zinc/17/88/18/315178818.db2.gz YMEIPVRTYCZJIK-NEWSRXKRSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000564481904 315178821 /nfs/dbraw/zinc/17/88/21/315178821.db2.gz YMEIPVRTYCZJIK-NEWSRXKRSA-N 2 2 314.473 3.198 20 0 DGADLP Fc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000564619488 315186114 /nfs/dbraw/zinc/18/61/14/315186114.db2.gz VQZAMDVTPOHGCD-UHFFFAOYSA-N 2 2 307.800 3.344 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc(C2CC2)s1 ZINC000565821638 315289796 /nfs/dbraw/zinc/28/97/96/315289796.db2.gz RTXMOOJBKZGFLP-INIZCTEOSA-N 2 2 301.459 3.373 20 0 DGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565844349 315291999 /nfs/dbraw/zinc/29/19/99/315291999.db2.gz ZPXSGQRLNJSXDJ-FQEVSTJZSA-N 2 2 314.473 3.251 20 0 DGADLP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565844349 315292000 /nfs/dbraw/zinc/29/20/00/315292000.db2.gz ZPXSGQRLNJSXDJ-FQEVSTJZSA-N 2 2 314.473 3.251 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000566088539 315311310 /nfs/dbraw/zinc/31/13/10/315311310.db2.gz ZGXQMZIITLMCCL-OAHLLOKOSA-N 3 2 300.450 3.219 20 0 DGADLP O[C@H](CCc1ccccc1)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000566109108 315313030 /nfs/dbraw/zinc/31/30/30/315313030.db2.gz LUSFUSNQKBDQFB-QGZVFWFLSA-N 2 2 323.440 3.079 20 0 DGADLP COc1cc(F)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000566337920 315336101 /nfs/dbraw/zinc/33/61/01/315336101.db2.gz ISPCHSPVTSZUEW-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418754 315343722 /nfs/dbraw/zinc/34/37/22/315343722.db2.gz LHJVRASUAUCJNP-AAEUAGOBSA-N 2 2 319.276 3.299 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418754 315343724 /nfs/dbraw/zinc/34/37/24/315343724.db2.gz LHJVRASUAUCJNP-AAEUAGOBSA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418754 315343726 /nfs/dbraw/zinc/34/37/26/315343726.db2.gz LHJVRASUAUCJNP-AAEUAGOBSA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418754 315343729 /nfs/dbraw/zinc/34/37/29/315343729.db2.gz LHJVRASUAUCJNP-AAEUAGOBSA-N 2 2 319.276 3.299 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1C ZINC000566499393 315353972 /nfs/dbraw/zinc/35/39/72/315353972.db2.gz SBAOINTZPIWFSB-RDTXWAMCSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1C ZINC000566499393 315353973 /nfs/dbraw/zinc/35/39/73/315353973.db2.gz SBAOINTZPIWFSB-RDTXWAMCSA-N 2 2 312.461 3.169 20 0 DGADLP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C2CCCCC2)no1 ZINC000566863271 315379863 /nfs/dbraw/zinc/37/98/63/315379863.db2.gz MDYWYJMNQSJJII-CYBMUJFWSA-N 2 2 317.437 3.134 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)nc2c1 ZINC000566961441 315386486 /nfs/dbraw/zinc/38/64/86/315386486.db2.gz QLNWNIFCUJRGDI-GJZGRUSLSA-N 2 2 300.450 3.272 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)[nH]c2c1 ZINC000566961441 315386489 /nfs/dbraw/zinc/38/64/89/315386489.db2.gz QLNWNIFCUJRGDI-GJZGRUSLSA-N 2 2 300.450 3.272 20 0 DGADLP CCC[N@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000566970312 315387297 /nfs/dbraw/zinc/38/72/97/315387297.db2.gz LLYJAFALOCNCNU-RCCFBDPRSA-N 2 2 302.462 3.458 20 0 DGADLP CCC[N@@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000566970312 315387300 /nfs/dbraw/zinc/38/73/00/315387300.db2.gz LLYJAFALOCNCNU-RCCFBDPRSA-N 2 2 302.462 3.458 20 0 DGADLP c1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)n(C2CCCC2)n1 ZINC000574957204 316019367 /nfs/dbraw/zinc/01/93/67/316019367.db2.gz XCDDXOGSPUXEPF-UHFFFAOYSA-N 2 2 322.416 3.250 20 0 DGADLP CC(C)c1[nH+]c(CN2CCC(n3cc[nH+]c3)CC2)c2ccccn21 ZINC000575203396 316042850 /nfs/dbraw/zinc/04/28/50/316042850.db2.gz IYBUPKUKIKATCZ-UHFFFAOYSA-N 2 2 323.444 3.491 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2F)CC1 ZINC000575874176 316070508 /nfs/dbraw/zinc/07/05/08/316070508.db2.gz RQOFJIRLGUBFRP-UHFFFAOYSA-N 2 2 324.440 3.197 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000575882925 316072343 /nfs/dbraw/zinc/07/23/43/316072343.db2.gz DTMLSFIKPPTXIA-MUYFXNHWSA-N 2 2 324.509 3.208 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)s1 ZINC000576016152 316086093 /nfs/dbraw/zinc/08/60/93/316086093.db2.gz JMMYOIWVLJDGRL-KRWDZBQOSA-N 2 2 308.491 3.052 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)s1 ZINC000576016152 316086095 /nfs/dbraw/zinc/08/60/95/316086095.db2.gz JMMYOIWVLJDGRL-KRWDZBQOSA-N 2 2 308.491 3.052 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2F)CC1 ZINC000576404659 316126567 /nfs/dbraw/zinc/12/65/67/316126567.db2.gz QEKASROBPANHQI-UHFFFAOYSA-N 2 2 324.440 3.149 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2F)CC1 ZINC000576404659 316126568 /nfs/dbraw/zinc/12/65/68/316126568.db2.gz QEKASROBPANHQI-UHFFFAOYSA-N 2 2 324.440 3.149 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000576963430 316187535 /nfs/dbraw/zinc/18/75/35/316187535.db2.gz KNKNBPSZYURTPV-CQSZACIVSA-N 2 2 319.836 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000576963430 316187540 /nfs/dbraw/zinc/18/75/40/316187540.db2.gz KNKNBPSZYURTPV-CQSZACIVSA-N 2 2 319.836 3.332 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995776 316190682 /nfs/dbraw/zinc/19/06/82/316190682.db2.gz AYFNVHQEOSPCJH-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995776 316190684 /nfs/dbraw/zinc/19/06/84/316190684.db2.gz AYFNVHQEOSPCJH-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995776 316190686 /nfs/dbraw/zinc/19/06/86/316190686.db2.gz AYFNVHQEOSPCJH-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995776 316190688 /nfs/dbraw/zinc/19/06/88/316190688.db2.gz AYFNVHQEOSPCJH-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)Oc1ccccc1Cl ZINC000577411971 316234189 /nfs/dbraw/zinc/23/41/89/316234189.db2.gz MRWJQOHRDDDHDP-CQSZACIVSA-N 2 2 307.825 3.329 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000577432483 316234930 /nfs/dbraw/zinc/23/49/30/316234930.db2.gz NZLBSLOPSCLKRQ-FQEVSTJZSA-N 2 2 321.468 3.460 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000577432483 316234933 /nfs/dbraw/zinc/23/49/33/316234933.db2.gz NZLBSLOPSCLKRQ-FQEVSTJZSA-N 2 2 321.468 3.460 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562072 316247346 /nfs/dbraw/zinc/24/73/46/316247346.db2.gz PEEKGQIGRGHQHM-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562072 316247350 /nfs/dbraw/zinc/24/73/50/316247350.db2.gz PEEKGQIGRGHQHM-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562072 316247355 /nfs/dbraw/zinc/24/73/55/316247355.db2.gz PEEKGQIGRGHQHM-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562072 316247359 /nfs/dbraw/zinc/24/73/59/316247359.db2.gz PEEKGQIGRGHQHM-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)n1C ZINC000577748048 316267544 /nfs/dbraw/zinc/26/75/44/316267544.db2.gz JBNAGJPDUTWFNA-LJQANCHMSA-N 2 2 313.445 3.302 20 0 DGADLP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000577918365 316283903 /nfs/dbraw/zinc/28/39/03/316283903.db2.gz QMVDJJXFGIBEFO-QGZVFWFLSA-N 2 2 304.478 3.291 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000181479768 323255407 /nfs/dbraw/zinc/25/54/07/323255407.db2.gz QWKDMEXKRXRLPA-MSOLQXFVSA-N 2 2 313.445 3.225 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCC2CC2)c(F)c1 ZINC000181574837 323259755 /nfs/dbraw/zinc/25/97/55/323259755.db2.gz DTQFKIPRZCVADW-ZDUSSCGKSA-N 2 2 303.381 3.162 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182370013 323295783 /nfs/dbraw/zinc/29/57/83/323295783.db2.gz RWWNAIJHTIEMLM-OAHLLOKOSA-N 2 2 306.425 3.062 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182370013 323295788 /nfs/dbraw/zinc/29/57/88/323295788.db2.gz RWWNAIJHTIEMLM-OAHLLOKOSA-N 2 2 306.425 3.062 20 0 DGADLP Brc1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000182743580 323310535 /nfs/dbraw/zinc/31/05/35/323310535.db2.gz AAXNBPQAQFQTML-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP Brc1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000182743580 323310540 /nfs/dbraw/zinc/31/05/40/323310540.db2.gz AAXNBPQAQFQTML-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3sccc3Cl)CC2)c1 ZINC000194378829 323475834 /nfs/dbraw/zinc/47/58/34/323475834.db2.gz MDQVDZJWQAQCLY-UHFFFAOYSA-N 2 2 323.849 3.127 20 0 DGADLP C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000386109304 323634668 /nfs/dbraw/zinc/63/46/68/323634668.db2.gz AKXQDZWBPGYFQA-DNVCBOLYSA-N 2 2 313.445 3.464 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386605658 323638351 /nfs/dbraw/zinc/63/83/51/323638351.db2.gz VRHIHIZXSDXSGF-VQIMIIECSA-N 3 2 303.494 3.149 20 0 DGADLP CO[C@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000580461709 324001140 /nfs/dbraw/zinc/00/11/40/324001140.db2.gz DBVPOVHBEHFTPC-GVDBMIGSSA-N 2 2 308.853 3.196 20 0 DGADLP CO[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000580461709 324001145 /nfs/dbraw/zinc/00/11/45/324001145.db2.gz DBVPOVHBEHFTPC-GVDBMIGSSA-N 2 2 308.853 3.196 20 0 DGADLP CO[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000580461709 324001149 /nfs/dbraw/zinc/00/11/49/324001149.db2.gz DBVPOVHBEHFTPC-GVDBMIGSSA-N 2 2 308.853 3.196 20 0 DGADLP CO[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000580461709 324001153 /nfs/dbraw/zinc/00/11/53/324001153.db2.gz DBVPOVHBEHFTPC-GVDBMIGSSA-N 2 2 308.853 3.196 20 0 DGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000580534134 324008984 /nfs/dbraw/zinc/00/89/84/324008984.db2.gz ZUMVPYBSUJBJFG-FVGKDHOHSA-N 2 2 307.401 3.039 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000581125308 324077778 /nfs/dbraw/zinc/07/77/78/324077778.db2.gz KUYUCTACIBKWDV-LBPRGKRZSA-N 2 2 308.857 3.265 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000581318866 324104859 /nfs/dbraw/zinc/10/48/59/324104859.db2.gz KKNBEWKMMIGENJ-GOSISDBHSA-N 2 2 320.452 3.028 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000581753195 324152753 /nfs/dbraw/zinc/15/27/53/324152753.db2.gz NLOSPSSFPIHBAZ-HNAYVOBHSA-N 2 2 304.478 3.490 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000582132503 324194576 /nfs/dbraw/zinc/19/45/76/324194576.db2.gz OSIBOOWBNLEPMW-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP CCC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000582554087 324245633 /nfs/dbraw/zinc/24/56/33/324245633.db2.gz BQRLWDDKSJMAMF-INIZCTEOSA-N 2 2 303.450 3.134 20 0 DGADLP CCC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000582554087 324245636 /nfs/dbraw/zinc/24/56/36/324245636.db2.gz BQRLWDDKSJMAMF-INIZCTEOSA-N 2 2 303.450 3.134 20 0 DGADLP CCc1nc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000584268382 332177200 /nfs/dbraw/zinc/17/72/00/332177200.db2.gz VFZBLOGRNGWTDR-UHFFFAOYSA-N 2 2 300.406 3.017 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)sc1Br ZINC000415066001 533717742 /nfs/dbraw/zinc/71/77/42/533717742.db2.gz IHCLUSCDLDKEJY-SNVBAGLBSA-N 2 2 303.269 3.051 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750638 500688977 /nfs/dbraw/zinc/68/89/77/500688977.db2.gz WGPOWXFNOFCDLR-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750638 500688980 /nfs/dbraw/zinc/68/89/80/500688980.db2.gz WGPOWXFNOFCDLR-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750638 500688982 /nfs/dbraw/zinc/68/89/82/500688982.db2.gz WGPOWXFNOFCDLR-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750638 500688985 /nfs/dbraw/zinc/68/89/85/500688985.db2.gz WGPOWXFNOFCDLR-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000351946419 500907791 /nfs/dbraw/zinc/90/77/91/500907791.db2.gz BOVLLIFBKATZTC-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000351946419 500907794 /nfs/dbraw/zinc/90/77/94/500907794.db2.gz BOVLLIFBKATZTC-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117097 533784507 /nfs/dbraw/zinc/78/45/07/533784507.db2.gz GBIFIYQYTOSNPU-DKSSEZFCSA-N 2 2 320.452 3.005 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117097 533784519 /nfs/dbraw/zinc/78/45/19/533784519.db2.gz GBIFIYQYTOSNPU-DKSSEZFCSA-N 2 2 320.452 3.005 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC000292739631 533825411 /nfs/dbraw/zinc/82/54/11/533825411.db2.gz HFAGTYGUTJUIPF-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC000292739631 533825422 /nfs/dbraw/zinc/82/54/22/533825422.db2.gz HFAGTYGUTJUIPF-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC(C)C ZINC000292739631 533825426 /nfs/dbraw/zinc/82/54/26/533825426.db2.gz HFAGTYGUTJUIPF-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC(C)C ZINC000292739631 533825436 /nfs/dbraw/zinc/82/54/36/533825436.db2.gz HFAGTYGUTJUIPF-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000322142331 533832755 /nfs/dbraw/zinc/83/27/55/533832755.db2.gz JXOKKQGAYGMDQO-INIZCTEOSA-N 2 2 312.461 3.397 20 0 DGADLP COc1cccc2c(N3CC[C@]4(C3)CCC[N@H+](C)C4)cc[nH+]c12 ZINC000292758754 533841155 /nfs/dbraw/zinc/84/11/55/533841155.db2.gz KDCZEFNCXNQQEQ-LJQANCHMSA-N 2 2 311.429 3.166 20 0 DGADLP COc1cccc2c(N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc[nH+]c12 ZINC000292758754 533841162 /nfs/dbraw/zinc/84/11/62/533841162.db2.gz KDCZEFNCXNQQEQ-LJQANCHMSA-N 2 2 311.429 3.166 20 0 DGADLP COc1cccc2c(N3CC[C@H](C[NH+]4CCCC4)C3)cc[nH+]c12 ZINC000292934491 533842949 /nfs/dbraw/zinc/84/29/49/533842949.db2.gz ASSZZJWKMKFLQN-OAHLLOKOSA-N 2 2 311.429 3.166 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs1 ZINC000430569081 533920022 /nfs/dbraw/zinc/92/00/22/533920022.db2.gz IDWFEMMONRWHFV-QGZVFWFLSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000309707199 533944468 /nfs/dbraw/zinc/94/44/68/533944468.db2.gz IDMTYEQFEFGXIK-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000309707199 533944473 /nfs/dbraw/zinc/94/44/73/533944473.db2.gz IDMTYEQFEFGXIK-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427882878 533990859 /nfs/dbraw/zinc/99/08/59/533990859.db2.gz CIGPXGGHTDNLPH-WCQYABFASA-N 2 2 307.344 3.150 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000415128464 534045162 /nfs/dbraw/zinc/04/51/62/534045162.db2.gz NYOGSPTXNSEHNP-HIFRSBDPSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000415128464 534045167 /nfs/dbraw/zinc/04/51/67/534045167.db2.gz NYOGSPTXNSEHNP-HIFRSBDPSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000423362981 534106325 /nfs/dbraw/zinc/10/63/25/534106325.db2.gz UJFQSGHVTVXGEJ-DYVFJYSZSA-N 2 2 311.385 3.201 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000423426124 534106364 /nfs/dbraw/zinc/10/63/64/534106364.db2.gz MTDHKZQUYABSNB-GUYCJALGSA-N 2 2 311.385 3.201 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H]3CC[C@@H](C)C3)c2cc1C ZINC000429573282 534138250 /nfs/dbraw/zinc/13/82/50/534138250.db2.gz YUESCCKEXGFSMC-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H]3CC[C@@H](C)C3)c2cc1C ZINC000429573282 534138257 /nfs/dbraw/zinc/13/82/57/534138257.db2.gz YUESCCKEXGFSMC-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCn1cc[nH+]c1 ZINC000294726519 534167093 /nfs/dbraw/zinc/16/70/93/534167093.db2.gz ILRDWUQHCLYOAD-NSHDSACASA-N 2 2 314.216 3.247 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000179181479 534367664 /nfs/dbraw/zinc/36/76/64/534367664.db2.gz KFAVJHAKFPFUTO-ZBFHGGJFSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000179181479 534367674 /nfs/dbraw/zinc/36/76/74/534367674.db2.gz KFAVJHAKFPFUTO-ZBFHGGJFSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc1C ZINC000179181479 534367678 /nfs/dbraw/zinc/36/76/78/534367678.db2.gz KFAVJHAKFPFUTO-ZBFHGGJFSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc1C ZINC000179181479 534367681 /nfs/dbraw/zinc/36/76/81/534367681.db2.gz KFAVJHAKFPFUTO-ZBFHGGJFSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)sc1C ZINC000415083183 534391907 /nfs/dbraw/zinc/39/19/07/534391907.db2.gz PJILYCGKFSCLBQ-CVEARBPZSA-N 2 2 301.459 3.343 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCCCCC1 ZINC000157560398 519794965 /nfs/dbraw/zinc/79/49/65/519794965.db2.gz BOORXVFUFAYKSN-ZWKOTPCHSA-N 2 2 306.498 3.152 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](COCC(C)C)c2ccco2)CC1 ZINC000152563266 519847286 /nfs/dbraw/zinc/84/72/86/519847286.db2.gz FBUUSGSMTAZQJL-QGZVFWFLSA-N 2 2 308.466 3.457 20 0 DGADLP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000435771339 534456989 /nfs/dbraw/zinc/45/69/89/534456989.db2.gz LLWBSOZUUTVFEC-CALCHBBNSA-N 2 2 304.478 3.254 20 0 DGADLP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000435771339 534456995 /nfs/dbraw/zinc/45/69/95/534456995.db2.gz LLWBSOZUUTVFEC-CALCHBBNSA-N 2 2 304.478 3.254 20 0 DGADLP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000435771339 534456997 /nfs/dbraw/zinc/45/69/97/534456997.db2.gz LLWBSOZUUTVFEC-CALCHBBNSA-N 2 2 304.478 3.254 20 0 DGADLP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000435771339 534457003 /nfs/dbraw/zinc/45/70/03/534457003.db2.gz LLWBSOZUUTVFEC-CALCHBBNSA-N 2 2 304.478 3.254 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)[nH+]c3ccccc13)CCC2 ZINC000443884157 534508911 /nfs/dbraw/zinc/50/89/11/534508911.db2.gz MYJWGXSOSNJKRZ-OAHLLOKOSA-N 2 2 306.413 3.460 20 0 DGADLP Fc1ccc2oc(C[NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)cc2c1 ZINC000415061234 534512357 /nfs/dbraw/zinc/51/23/57/534512357.db2.gz ZRCNDBVKUAEQML-ZWKOTPCHSA-N 2 2 310.372 3.417 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@H](c4cccnc4)C3)n2c1 ZINC000294976286 534520557 /nfs/dbraw/zinc/52/05/57/534520557.db2.gz JJNINHHFFKWDPP-WMZOPIPTSA-N 2 2 322.412 3.048 20 0 DGADLP c1csc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943295 534521023 /nfs/dbraw/zinc/52/10/23/534521023.db2.gz BYVCWTOUBQIUCC-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943295 534521029 /nfs/dbraw/zinc/52/10/29/534521029.db2.gz BYVCWTOUBQIUCC-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943295 534521034 /nfs/dbraw/zinc/52/10/34/534521034.db2.gz BYVCWTOUBQIUCC-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943295 534521037 /nfs/dbraw/zinc/52/10/37/534521037.db2.gz BYVCWTOUBQIUCC-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cnc(C(F)(F)F)s2)CCCCCC1 ZINC000414857725 534549586 /nfs/dbraw/zinc/54/95/86/534549586.db2.gz FMRDRTXORRQDLT-UHFFFAOYSA-N 2 2 307.385 3.303 20 0 DGADLP [NH3+]C1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000435399758 534568201 /nfs/dbraw/zinc/56/82/01/534568201.db2.gz YXVRLUXXEJCCTC-UHFFFAOYSA-N 2 2 324.472 3.148 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000156557926 521658529 /nfs/dbraw/zinc/65/85/29/521658529.db2.gz IMSQBBPIAAQTOE-ZFWWWQNUSA-N 2 2 315.461 3.051 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000156557926 521658533 /nfs/dbraw/zinc/65/85/33/521658533.db2.gz IMSQBBPIAAQTOE-ZFWWWQNUSA-N 2 2 315.461 3.051 20 0 DGADLP CC[NH+]1CCN(Cc2ccc(CNc3cccc(C)[nH+]3)cc2)CC1 ZINC000157099974 521687892 /nfs/dbraw/zinc/68/78/92/521687892.db2.gz RVYQHHNKTNYSJQ-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP CCN1CC[NH+](Cc2ccc(CNc3cccc(C)[nH+]3)cc2)CC1 ZINC000157099974 521687896 /nfs/dbraw/zinc/68/78/96/521687896.db2.gz RVYQHHNKTNYSJQ-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430574146 534640576 /nfs/dbraw/zinc/64/05/76/534640576.db2.gz RUUGAANNHSIYIM-HOTGVXAUSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430574146 534640578 /nfs/dbraw/zinc/64/05/78/534640578.db2.gz RUUGAANNHSIYIM-HOTGVXAUSA-N 2 2 317.477 3.116 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000415073458 534650995 /nfs/dbraw/zinc/65/09/95/534650995.db2.gz YMWUOWISARGIQB-UHFFFAOYSA-N 3 2 321.896 3.036 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccncc1 ZINC000163647775 522811213 /nfs/dbraw/zinc/81/12/13/522811213.db2.gz JLNXYRLMMDWPAA-LJQANCHMSA-N 2 2 310.445 3.182 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cc(F)ncc1F ZINC000294651437 534684785 /nfs/dbraw/zinc/68/47/85/534684785.db2.gz BWEUGKMURQNXQO-UHFFFAOYSA-N 2 2 316.355 3.198 20 0 DGADLP Cc1cnccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000295604068 534708052 /nfs/dbraw/zinc/70/80/52/534708052.db2.gz FUXDYCPASVFCOT-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000441391709 526820480 /nfs/dbraw/zinc/82/04/80/526820480.db2.gz BTHQMPCBHKHLLP-HOCLYGCPSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000441391709 526820486 /nfs/dbraw/zinc/82/04/86/526820486.db2.gz BTHQMPCBHKHLLP-HOCLYGCPSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000441391709 526820491 /nfs/dbraw/zinc/82/04/91/526820491.db2.gz BTHQMPCBHKHLLP-HOCLYGCPSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000441391709 526820496 /nfs/dbraw/zinc/82/04/96/526820496.db2.gz BTHQMPCBHKHLLP-HOCLYGCPSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000431174810 526832171 /nfs/dbraw/zinc/83/21/71/526832171.db2.gz HIOGEUQMCDMMJG-AWEZNQCLSA-N 2 2 317.458 3.489 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000431174810 526832174 /nfs/dbraw/zinc/83/21/74/526832174.db2.gz HIOGEUQMCDMMJG-AWEZNQCLSA-N 2 2 317.458 3.489 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000090402834 527305052 /nfs/dbraw/zinc/30/50/52/527305052.db2.gz LIPMZJWKWJVQDA-GFCCVEGCSA-N 2 2 302.447 3.166 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCC2 ZINC000181672934 527833409 /nfs/dbraw/zinc/83/34/09/527833409.db2.gz LQFUQYFKPIXZTE-HZPDHXFCSA-N 2 2 303.450 3.211 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1c(C)cccc1C ZINC000435532426 527898988 /nfs/dbraw/zinc/89/89/88/527898988.db2.gz FEPDMOLHHHPWFN-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1c(C)cccc1C ZINC000435532426 527898990 /nfs/dbraw/zinc/89/89/90/527898990.db2.gz FEPDMOLHHHPWFN-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1c(C)cccc1C ZINC000435532426 527898996 /nfs/dbraw/zinc/89/89/96/527898996.db2.gz FEPDMOLHHHPWFN-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1c(C)cccc1C ZINC000435532426 527899000 /nfs/dbraw/zinc/89/90/00/527899000.db2.gz FEPDMOLHHHPWFN-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435615145 527929950 /nfs/dbraw/zinc/92/99/50/527929950.db2.gz OLTGUFBMROKVJW-HNNXBMFYSA-N 2 2 323.506 3.076 20 0 DGADLP CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435615145 527929953 /nfs/dbraw/zinc/92/99/53/527929953.db2.gz OLTGUFBMROKVJW-HNNXBMFYSA-N 2 2 323.506 3.076 20 0 DGADLP CCC[N@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CC[NH2+]C1 ZINC000430962104 528149559 /nfs/dbraw/zinc/14/95/59/528149559.db2.gz PLWVFFMFDRHSRI-KRWDZBQOSA-N 2 2 311.429 3.448 20 0 DGADLP CCC[N@@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CC[NH2+]C1 ZINC000430962104 528149564 /nfs/dbraw/zinc/14/95/64/528149564.db2.gz PLWVFFMFDRHSRI-KRWDZBQOSA-N 2 2 311.429 3.448 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430585661 528198604 /nfs/dbraw/zinc/19/86/04/528198604.db2.gz SYYCBUILANCYRS-AWEZNQCLSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430585661 528198609 /nfs/dbraw/zinc/19/86/09/528198609.db2.gz SYYCBUILANCYRS-AWEZNQCLSA-N 2 2 305.466 3.054 20 0 DGADLP CC[NH2+]CC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000420290889 528289528 /nfs/dbraw/zinc/28/95/28/528289528.db2.gz MMNFXYNAIJGEMO-UHFFFAOYSA-N 2 2 302.249 3.210 20 0 DGADLP CC[NH2+]CC1CC[NH+](Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000430600378 528290339 /nfs/dbraw/zinc/29/03/39/528290339.db2.gz XPXHCDZXHNABPQ-CYBMUJFWSA-N 2 2 311.495 3.062 20 0 DGADLP CC[NH+](CC)[C@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000302691308 528292050 /nfs/dbraw/zinc/29/20/50/528292050.db2.gz ZOIVIUVAILYUJH-HNNXBMFYSA-N 2 2 313.445 3.472 20 0 DGADLP CC(C)c1ncc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000331811113 528351756 /nfs/dbraw/zinc/35/17/56/528351756.db2.gz ZDMSZIHHEQYPBF-SWLSCSKDSA-N 2 2 320.462 3.010 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H](C)[NH3+] ZINC000423366996 528372794 /nfs/dbraw/zinc/37/27/94/528372794.db2.gz YBYVETYUVGVTCX-CXAGYDPISA-N 2 2 313.401 3.432 20 0 DGADLP CCCC[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429714059 528393648 /nfs/dbraw/zinc/39/36/48/528393648.db2.gz GBGPHERKNPXQIW-LJQANCHMSA-N 2 2 304.478 3.400 20 0 DGADLP CCCC[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429714059 528393652 /nfs/dbraw/zinc/39/36/52/528393652.db2.gz GBGPHERKNPXQIW-LJQANCHMSA-N 2 2 304.478 3.400 20 0 DGADLP CCCC[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429714059 528393656 /nfs/dbraw/zinc/39/36/56/528393656.db2.gz GBGPHERKNPXQIW-LJQANCHMSA-N 2 2 304.478 3.400 20 0 DGADLP CCCC[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429714059 528393662 /nfs/dbraw/zinc/39/36/62/528393662.db2.gz GBGPHERKNPXQIW-LJQANCHMSA-N 2 2 304.478 3.400 20 0 DGADLP CC[N@H+](CCC[NH2+]C)Cc1cc(Br)ccc1F ZINC000435874806 528458629 /nfs/dbraw/zinc/45/86/29/528458629.db2.gz NVCOCSCVNLLOQD-UHFFFAOYSA-N 2 2 303.219 3.020 20 0 DGADLP CC[N@@H+](CCC[NH2+]C)Cc1cc(Br)ccc1F ZINC000435874806 528458636 /nfs/dbraw/zinc/45/86/36/528458636.db2.gz NVCOCSCVNLLOQD-UHFFFAOYSA-N 2 2 303.219 3.020 20 0 DGADLP CCn1c(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)nc2c1cccc2F ZINC000435618550 528885745 /nfs/dbraw/zinc/88/57/45/528885745.db2.gz ZFAOQCYJQRAPDQ-CQSZACIVSA-N 2 2 318.440 3.159 20 0 DGADLP CCn1c(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)nc2c1cccc2F ZINC000435618550 528885748 /nfs/dbraw/zinc/88/57/48/528885748.db2.gz ZFAOQCYJQRAPDQ-CQSZACIVSA-N 2 2 318.440 3.159 20 0 DGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000427718632 529034691 /nfs/dbraw/zinc/03/46/91/529034691.db2.gz IDFVATQKGBFQLN-ROUUACIJSA-N 2 2 306.519 3.281 20 0 DGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000427718633 529034758 /nfs/dbraw/zinc/03/47/58/529034758.db2.gz IDFVATQKGBFQLN-ZWKOTPCHSA-N 2 2 306.519 3.281 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000449108080 535893864 /nfs/dbraw/zinc/89/38/64/535893864.db2.gz PMXZIOZOYDBLBV-IBGZPJMESA-N 3 2 307.526 3.103 20 0 DGADLP COc1cccc2c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cccc12 ZINC000449193312 536932647 /nfs/dbraw/zinc/93/26/47/536932647.db2.gz MZTZFPHFRIKAKZ-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cccc2c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cccc12 ZINC000449193312 536932652 /nfs/dbraw/zinc/93/26/52/536932652.db2.gz MZTZFPHFRIKAKZ-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](CCCc1ccc(C)[nH+]c1)CCO2 ZINC000449527794 536982924 /nfs/dbraw/zinc/98/29/24/536982924.db2.gz LAPWPNGDHLOULA-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP COc1ccc2c(c1)C[N@H+](CCCc1ccc(C)[nH+]c1)CCO2 ZINC000449527794 536982925 /nfs/dbraw/zinc/98/29/25/536982925.db2.gz LAPWPNGDHLOULA-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000088671269 545811914 /nfs/dbraw/zinc/81/19/14/545811914.db2.gz BHQAJHGCGZUUPK-APWZRJJASA-N 2 2 313.489 3.038 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2cscn2)C[N@@H+]1Cc1ccccc1 ZINC000090186567 545822475 /nfs/dbraw/zinc/82/24/75/545822475.db2.gz PNECVXBJXYAGMN-KRWDZBQOSA-N 2 2 315.486 3.328 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2cscn2)C[N@H+]1Cc1ccccc1 ZINC000090186567 545822477 /nfs/dbraw/zinc/82/24/77/545822477.db2.gz PNECVXBJXYAGMN-KRWDZBQOSA-N 2 2 315.486 3.328 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091368256 545836132 /nfs/dbraw/zinc/83/61/32/545836132.db2.gz RQUOYSRHVWFVIE-IBGZPJMESA-N 2 2 302.462 3.147 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000120884451 545890849 /nfs/dbraw/zinc/89/08/49/545890849.db2.gz SPJJPHWLDYKRCH-XLIONFOSSA-N 3 2 315.505 3.143 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000134390607 545972760 /nfs/dbraw/zinc/97/27/60/545972760.db2.gz LDTSEFGNYDSJFJ-PXNSSMCTSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000134390607 545972767 /nfs/dbraw/zinc/97/27/67/545972767.db2.gz LDTSEFGNYDSJFJ-PXNSSMCTSA-N 2 2 309.457 3.390 20 0 DGADLP CCC[NH+]1CCC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000156192805 546032690 /nfs/dbraw/zinc/03/26/90/546032690.db2.gz ADHFTLWMARLGNH-GOSISDBHSA-N 3 2 317.521 3.361 20 0 DGADLP CCC[NH+]1CCC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000156192805 546032692 /nfs/dbraw/zinc/03/26/92/546032692.db2.gz ADHFTLWMARLGNH-GOSISDBHSA-N 3 2 317.521 3.361 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc4c(c3)OCO4)[nH+]c12 ZINC000156347356 546033296 /nfs/dbraw/zinc/03/32/96/546033296.db2.gz JRSUQKVTGPELQM-AWEZNQCLSA-N 2 2 323.396 3.265 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3CC(C)(C)OC3(C)C)[nH+]c12 ZINC000156342615 546033428 /nfs/dbraw/zinc/03/34/28/546033428.db2.gz PKUJLHQIKHCKHT-HNNXBMFYSA-N 2 2 301.434 3.121 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157717541 546042970 /nfs/dbraw/zinc/04/29/70/546042970.db2.gz UCAINBPOGUAZQZ-DNVCBOLYSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157717541 546042973 /nfs/dbraw/zinc/04/29/73/546042973.db2.gz UCAINBPOGUAZQZ-DNVCBOLYSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000157717541 546042976 /nfs/dbraw/zinc/04/29/76/546042976.db2.gz UCAINBPOGUAZQZ-DNVCBOLYSA-N 2 2 324.472 3.316 20 0 DGADLP CCC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000163641099 546083286 /nfs/dbraw/zinc/08/32/86/546083286.db2.gz CFHPLXPJICNCGV-LJQANCHMSA-N 2 2 320.477 3.237 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000163754923 546084500 /nfs/dbraw/zinc/08/45/00/546084500.db2.gz OZHNHDNCLJOJCP-HXUWFJFHSA-N 2 2 316.489 3.017 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000163747916 546084584 /nfs/dbraw/zinc/08/45/84/546084584.db2.gz BSYZTVWLNGUIRG-HNNXBMFYSA-N 2 2 308.441 3.204 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000163737144 546084746 /nfs/dbraw/zinc/08/47/46/546084746.db2.gz ZEOYETGUUZPSOS-FQEVSTJZSA-N 2 2 318.505 3.263 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166425512 546094706 /nfs/dbraw/zinc/09/47/06/546094706.db2.gz QRZPXBCBTNAZSE-ZACQAIPSSA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166425512 546094711 /nfs/dbraw/zinc/09/47/11/546094711.db2.gz QRZPXBCBTNAZSE-ZACQAIPSSA-N 2 2 306.450 3.210 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000180023749 546140891 /nfs/dbraw/zinc/14/08/91/546140891.db2.gz DMHYSERSYPMJFN-AWEZNQCLSA-N 2 2 300.450 3.411 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCCC2)c1 ZINC000247041682 546308226 /nfs/dbraw/zinc/30/82/26/546308226.db2.gz VBBOVEPSRCWTHL-SQNIBIBYSA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCCC2)c1 ZINC000247041682 546308227 /nfs/dbraw/zinc/30/82/27/546308227.db2.gz VBBOVEPSRCWTHL-SQNIBIBYSA-N 2 2 317.477 3.023 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000279773570 546376541 /nfs/dbraw/zinc/37/65/41/546376541.db2.gz ALKFMOKABXQEOJ-JXFKEZNVSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000279773570 546376544 /nfs/dbraw/zinc/37/65/44/546376544.db2.gz ALKFMOKABXQEOJ-JXFKEZNVSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000280603167 546383230 /nfs/dbraw/zinc/38/32/30/546383230.db2.gz OFFWXASWALOHBW-YLJYHZDGSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000280603167 546383234 /nfs/dbraw/zinc/38/32/34/546383234.db2.gz OFFWXASWALOHBW-YLJYHZDGSA-N 2 2 309.457 3.185 20 0 DGADLP Brc1cscc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285604670 546398999 /nfs/dbraw/zinc/39/89/99/546398999.db2.gz YKNWANACBAWRLE-SNVBAGLBSA-N 2 2 315.280 3.085 20 0 DGADLP Brc1cscc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000285604670 546399000 /nfs/dbraw/zinc/39/90/00/546399000.db2.gz YKNWANACBAWRLE-SNVBAGLBSA-N 2 2 315.280 3.085 20 0 DGADLP CC[NH+]1CCN(c2ccc(N[C@H](C)c3[nH]cc[nH+]3)c(C)c2)CC1 ZINC000286063574 546401034 /nfs/dbraw/zinc/40/10/34/546401034.db2.gz KTEYYDWJKREPIM-OAHLLOKOSA-N 2 2 313.449 3.033 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000290537004 546416578 /nfs/dbraw/zinc/41/65/78/546416578.db2.gz YMUCTYCYQWVQKC-QRQCRPRQSA-N 2 2 316.470 3.411 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc[nH+]1 ZINC000309868394 546451391 /nfs/dbraw/zinc/45/13/91/546451391.db2.gz QCJMYONQXFSLFO-KZNAEPCWSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc[nH+]1 ZINC000309868394 546451395 /nfs/dbraw/zinc/45/13/95/546451395.db2.gz QCJMYONQXFSLFO-KZNAEPCWSA-N 2 2 308.429 3.108 20 0 DGADLP C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321723871 546471435 /nfs/dbraw/zinc/47/14/35/546471435.db2.gz ADOQYFONZDMIIS-INIZCTEOSA-N 2 2 313.445 3.466 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)co2)cc1 ZINC000324007041 546478023 /nfs/dbraw/zinc/47/80/23/546478023.db2.gz NFBSHKLNWUIIPS-LPHOPBHVSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)co2)cc1 ZINC000324007041 546478027 /nfs/dbraw/zinc/47/80/27/546478027.db2.gz NFBSHKLNWUIIPS-LPHOPBHVSA-N 2 2 311.429 3.211 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000324235112 546478371 /nfs/dbraw/zinc/47/83/71/546478371.db2.gz HUCDHGVZCYZTTF-LJQANCHMSA-N 2 2 312.457 3.067 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000324235112 546478375 /nfs/dbraw/zinc/47/83/75/546478375.db2.gz HUCDHGVZCYZTTF-LJQANCHMSA-N 2 2 312.457 3.067 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255012 546583936 /nfs/dbraw/zinc/58/39/36/546583936.db2.gz UEPUUWPIEDKAJP-APWZRJJASA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255012 546583941 /nfs/dbraw/zinc/58/39/41/546583941.db2.gz UEPUUWPIEDKAJP-APWZRJJASA-N 2 2 314.473 3.198 20 0 DGADLP CCc1cc(N(CC)Cc2ccc(C[NH+](C)C)cc2)nc(C)[nH+]1 ZINC000359728472 546711717 /nfs/dbraw/zinc/71/17/17/546711717.db2.gz XCMOXKVWNGOHJO-UHFFFAOYSA-N 2 2 312.461 3.436 20 0 DGADLP CCc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000361519062 546719879 /nfs/dbraw/zinc/71/98/79/546719879.db2.gz MNDWWENQBKEKOP-UHFFFAOYSA-N 2 2 323.484 3.441 20 0 DGADLP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1CC[NH+](C)CC1 ZINC000386470063 546745666 /nfs/dbraw/zinc/74/56/66/546745666.db2.gz VHHGMECQAJWWSV-OAHLLOKOSA-N 2 2 302.466 3.214 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390557247 546753973 /nfs/dbraw/zinc/75/39/73/546753973.db2.gz INHDVVXUVKGBQH-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390557247 546753977 /nfs/dbraw/zinc/75/39/77/546753977.db2.gz INHDVVXUVKGBQH-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422860836 546806837 /nfs/dbraw/zinc/80/68/37/546806837.db2.gz LWRHJJQVEVOURJ-LAUBAEHRSA-N 2 2 324.468 3.491 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653742890 547074462 /nfs/dbraw/zinc/07/44/62/547074462.db2.gz JCGDTZYTNWMGOL-BLLLJJGKSA-N 2 2 312.417 3.182 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)Cc2cc(Br)cs2)n1C ZINC000667530582 547212877 /nfs/dbraw/zinc/21/28/77/547212877.db2.gz CBJVZWSUKWYTNT-UHFFFAOYSA-N 2 2 314.252 3.185 20 0 DGADLP Fc1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1OC1CC1 ZINC000667533626 547214031 /nfs/dbraw/zinc/21/40/31/547214031.db2.gz YLRHKWGIZRAANX-CQSZACIVSA-N 2 2 315.392 3.470 20 0 DGADLP Fc1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1OC1CC1 ZINC000667533626 547214033 /nfs/dbraw/zinc/21/40/33/547214033.db2.gz YLRHKWGIZRAANX-CQSZACIVSA-N 2 2 315.392 3.470 20 0 DGADLP Fc1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1OC1CC1 ZINC000667533625 547214596 /nfs/dbraw/zinc/21/45/96/547214596.db2.gz YLRHKWGIZRAANX-AWEZNQCLSA-N 2 2 315.392 3.470 20 0 DGADLP Fc1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1OC1CC1 ZINC000667533625 547214600 /nfs/dbraw/zinc/21/46/00/547214600.db2.gz YLRHKWGIZRAANX-AWEZNQCLSA-N 2 2 315.392 3.470 20 0 DGADLP Fc1c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cccc1OC1CC1 ZINC000667642119 547254534 /nfs/dbraw/zinc/25/45/34/547254534.db2.gz OZAWBIHUXKYMHO-UHFFFAOYSA-N 2 2 315.392 3.470 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)n1C ZINC000667702584 547280527 /nfs/dbraw/zinc/28/05/27/547280527.db2.gz YLCRLONBSWKXMV-UHFFFAOYSA-N 2 2 313.323 3.259 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)n1C ZINC000667702584 547280530 /nfs/dbraw/zinc/28/05/30/547280530.db2.gz YLCRLONBSWKXMV-UHFFFAOYSA-N 2 2 313.323 3.259 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000667863701 547323636 /nfs/dbraw/zinc/32/36/36/547323636.db2.gz DKIDFGRMDJHVRX-QGTPRVQTSA-N 2 2 302.462 3.273 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000667947341 547343279 /nfs/dbraw/zinc/34/32/79/547343279.db2.gz NFCBYQJBWFOBQD-VQIMIIECSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000667947341 547343284 /nfs/dbraw/zinc/34/32/84/547343284.db2.gz NFCBYQJBWFOBQD-VQIMIIECSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C)c1 ZINC000667947341 547343287 /nfs/dbraw/zinc/34/32/87/547343287.db2.gz NFCBYQJBWFOBQD-VQIMIIECSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C)c1 ZINC000667947341 547343292 /nfs/dbraw/zinc/34/32/92/547343292.db2.gz NFCBYQJBWFOBQD-VQIMIIECSA-N 2 2 302.462 3.310 20 0 DGADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092059 547380909 /nfs/dbraw/zinc/38/09/09/547380909.db2.gz XHMFNWZWZYGQCW-SMDDNHRTSA-N 2 2 310.323 3.040 20 0 DGADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092059 547380911 /nfs/dbraw/zinc/38/09/11/547380911.db2.gz XHMFNWZWZYGQCW-SMDDNHRTSA-N 2 2 310.323 3.040 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000668156523 547396682 /nfs/dbraw/zinc/39/66/82/547396682.db2.gz RXZYRKQXBALSQB-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000668156523 547396687 /nfs/dbraw/zinc/39/66/87/547396687.db2.gz RXZYRKQXBALSQB-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CCC1(c2ccccc2)C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668236191 547425369 /nfs/dbraw/zinc/42/53/69/547425369.db2.gz CGUVKFDKBKKXTN-UHFFFAOYSA-N 2 2 318.424 3.431 20 0 DGADLP FC(F)(F)C[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668244144 547427916 /nfs/dbraw/zinc/42/79/16/547427916.db2.gz RKOCSBMOESKUTL-CYBMUJFWSA-N 2 2 324.350 3.432 20 0 DGADLP FC(F)(F)C[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668244144 547427917 /nfs/dbraw/zinc/42/79/17/547427917.db2.gz RKOCSBMOESKUTL-CYBMUJFWSA-N 2 2 324.350 3.432 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)n1C ZINC000668243025 547427939 /nfs/dbraw/zinc/42/79/39/547427939.db2.gz QILUQMSFZRVAGP-SFHVURJKSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)n1C ZINC000668243025 547427940 /nfs/dbraw/zinc/42/79/40/547427940.db2.gz QILUQMSFZRVAGP-SFHVURJKSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)n1C ZINC000668292595 547437315 /nfs/dbraw/zinc/43/73/15/547437315.db2.gz JZSRFEUGDIBICE-FHWLQOOXSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)n1C ZINC000668292595 547437318 /nfs/dbraw/zinc/43/73/18/547437318.db2.gz JZSRFEUGDIBICE-FHWLQOOXSA-N 2 2 311.429 3.223 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1O ZINC000668432333 547455276 /nfs/dbraw/zinc/45/52/76/547455276.db2.gz PUHNDOKBVLWCFO-ZBFHGGJFSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1O ZINC000668432333 547455279 /nfs/dbraw/zinc/45/52/79/547455279.db2.gz PUHNDOKBVLWCFO-ZBFHGGJFSA-N 2 2 320.477 3.184 20 0 DGADLP c1[nH+]cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c2c1CCCC2 ZINC000668440338 547455998 /nfs/dbraw/zinc/45/59/98/547455998.db2.gz LSUTVNYXKUAOEE-QGZVFWFLSA-N 2 2 315.461 3.016 20 0 DGADLP c1ccc(C[NH+]2CCC(Nc3c[nH+]cc4c3CCCC4)CC2)nc1 ZINC000668439722 547456015 /nfs/dbraw/zinc/45/60/15/547456015.db2.gz CZOMJPUDSJXLAJ-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000668458933 547459629 /nfs/dbraw/zinc/45/96/29/547459629.db2.gz MJCTYLCTQRVWIL-ZBFHGGJFSA-N 2 2 322.468 3.475 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1F ZINC000668458933 547459632 /nfs/dbraw/zinc/45/96/32/547459632.db2.gz MJCTYLCTQRVWIL-ZBFHGGJFSA-N 2 2 322.468 3.475 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000668458932 547459728 /nfs/dbraw/zinc/45/97/28/547459728.db2.gz MJCTYLCTQRVWIL-HOCLYGCPSA-N 2 2 322.468 3.475 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1F ZINC000668458932 547459729 /nfs/dbraw/zinc/45/97/29/547459729.db2.gz MJCTYLCTQRVWIL-HOCLYGCPSA-N 2 2 322.468 3.475 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000668458930 547459743 /nfs/dbraw/zinc/45/97/43/547459743.db2.gz MJCTYLCTQRVWIL-GDBMZVCRSA-N 2 2 322.468 3.475 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1F ZINC000668458930 547459745 /nfs/dbraw/zinc/45/97/45/547459745.db2.gz MJCTYLCTQRVWIL-GDBMZVCRSA-N 2 2 322.468 3.475 20 0 DGADLP COc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1OCCC(C)C ZINC000668540030 547475107 /nfs/dbraw/zinc/47/51/07/547475107.db2.gz UKISHVXRGAMEAN-UHFFFAOYSA-N 2 2 320.477 3.114 20 0 DGADLP COc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1OCCC(C)C ZINC000668540030 547475111 /nfs/dbraw/zinc/47/51/11/547475111.db2.gz UKISHVXRGAMEAN-UHFFFAOYSA-N 2 2 320.477 3.114 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)n1C ZINC000668678287 547506895 /nfs/dbraw/zinc/50/68/95/547506895.db2.gz GWIROMZUMUZTDI-CYBMUJFWSA-N 2 2 319.836 3.385 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)n1C ZINC000668678287 547506897 /nfs/dbraw/zinc/50/68/97/547506897.db2.gz GWIROMZUMUZTDI-CYBMUJFWSA-N 2 2 319.836 3.385 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000668785807 547540787 /nfs/dbraw/zinc/54/07/87/547540787.db2.gz XTSLUGUOSQZRQH-INIZCTEOSA-N 2 2 320.408 3.115 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000668785807 547540789 /nfs/dbraw/zinc/54/07/89/547540789.db2.gz XTSLUGUOSQZRQH-INIZCTEOSA-N 2 2 320.408 3.115 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)n1-c1ccccc1 ZINC000668786725 547542591 /nfs/dbraw/zinc/54/25/91/547542591.db2.gz GSKZYSYQSDINHX-QRWLVFNGSA-N 2 2 321.424 3.392 20 0 DGADLP Cc1ccc(CCC[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c[nH+]1 ZINC000668846296 547557040 /nfs/dbraw/zinc/55/70/40/547557040.db2.gz WHIUOEJCRXXTHT-UHFFFAOYSA-N 2 2 312.461 3.141 20 0 DGADLP Cc1ccc(CCC[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c[nH+]1 ZINC000668846296 547557042 /nfs/dbraw/zinc/55/70/42/547557042.db2.gz WHIUOEJCRXXTHT-UHFFFAOYSA-N 2 2 312.461 3.141 20 0 DGADLP c1ccc(C2CC2)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000670271184 547742931 /nfs/dbraw/zinc/74/29/31/547742931.db2.gz GGRFUQCZSBPHPO-QGZVFWFLSA-N 2 2 314.473 3.108 20 0 DGADLP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000670271184 547742937 /nfs/dbraw/zinc/74/29/37/547742937.db2.gz GGRFUQCZSBPHPO-QGZVFWFLSA-N 2 2 314.473 3.108 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985179 547767436 /nfs/dbraw/zinc/76/74/36/547767436.db2.gz CQEKHTUDILCAJZ-OALUTQOASA-N 2 2 302.462 3.324 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985179 547767440 /nfs/dbraw/zinc/76/74/40/547767440.db2.gz CQEKHTUDILCAJZ-OALUTQOASA-N 2 2 302.462 3.324 20 0 DGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986796 547767520 /nfs/dbraw/zinc/76/75/20/547767520.db2.gz IKNLYQLCFVERFS-HXUWFJFHSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986796 547767523 /nfs/dbraw/zinc/76/75/23/547767523.db2.gz IKNLYQLCFVERFS-HXUWFJFHSA-N 2 2 316.489 3.114 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986100 547767822 /nfs/dbraw/zinc/76/78/22/547767822.db2.gz QANCNXKUCLUXEX-HOCLYGCPSA-N 2 2 324.415 3.213 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986100 547767828 /nfs/dbraw/zinc/76/78/28/547767828.db2.gz QANCNXKUCLUXEX-HOCLYGCPSA-N 2 2 324.415 3.213 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)[N@@H+]1CCc2ccccc2C1 ZINC000671098900 547769652 /nfs/dbraw/zinc/76/96/52/547769652.db2.gz ZDUJTEIFPWWNCB-QAPCUYQASA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)[N@H+]1CCc2ccccc2C1 ZINC000671098900 547769656 /nfs/dbraw/zinc/76/96/56/547769656.db2.gz ZDUJTEIFPWWNCB-QAPCUYQASA-N 2 2 304.478 3.226 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC2(CC2)CC1 ZINC000671626240 547800584 /nfs/dbraw/zinc/80/05/84/547800584.db2.gz BSMQQIDQHKILEI-AWEZNQCLSA-N 2 2 324.428 3.280 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)c[nH+]1 ZINC000671624697 547800651 /nfs/dbraw/zinc/80/06/51/547800651.db2.gz JZEUACQKVKHCCE-KRWDZBQOSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)c[nH+]1 ZINC000671624697 547800653 /nfs/dbraw/zinc/80/06/53/547800653.db2.gz JZEUACQKVKHCCE-KRWDZBQOSA-N 2 2 308.385 3.375 20 0 DGADLP CCOC1CC(C[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000671685830 547809522 /nfs/dbraw/zinc/80/95/22/547809522.db2.gz WITWUYOCEKMBEY-NKELODKYSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727069 547817487 /nfs/dbraw/zinc/81/74/87/547817487.db2.gz XYZDPQPMFKKOKT-NEWSRXKRSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727069 547817488 /nfs/dbraw/zinc/81/74/88/547817488.db2.gz XYZDPQPMFKKOKT-NEWSRXKRSA-N 2 2 316.489 3.302 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H]2CCC[C@H]21 ZINC000671752955 547827240 /nfs/dbraw/zinc/82/72/40/547827240.db2.gz HKEHPJRHYOOABB-BIGNPOOSSA-N 2 2 316.342 3.205 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H]2CCC[C@H]21 ZINC000671752955 547827245 /nfs/dbraw/zinc/82/72/45/547827245.db2.gz HKEHPJRHYOOABB-BIGNPOOSSA-N 2 2 316.342 3.205 20 0 DGADLP CCc1nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000672224625 547865616 /nfs/dbraw/zinc/86/56/16/547865616.db2.gz STMDBJJEGKMYSR-QGZVFWFLSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1nc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000672224625 547865620 /nfs/dbraw/zinc/86/56/20/547865620.db2.gz STMDBJJEGKMYSR-QGZVFWFLSA-N 2 2 310.445 3.058 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000672621746 547896299 /nfs/dbraw/zinc/89/62/99/547896299.db2.gz HWNXPAFIJSDJNI-XJKSGUPXSA-N 2 2 312.404 3.465 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000672621744 547897012 /nfs/dbraw/zinc/89/70/12/547897012.db2.gz HWNXPAFIJSDJNI-CJNGLKHVSA-N 2 2 312.404 3.465 20 0 DGADLP CC(C)n1ncc2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cnc21 ZINC000674373385 548072414 /nfs/dbraw/zinc/07/24/14/548072414.db2.gz BSFHVCWTNDZLPT-UHFFFAOYSA-N 2 2 324.432 3.115 20 0 DGADLP Fc1cccc(Cl)c1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499265 548226374 /nfs/dbraw/zinc/22/63/74/548226374.db2.gz DRFBZYYOXIGSBI-UHFFFAOYSA-N 2 2 319.811 3.239 20 0 DGADLP Cc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000675548019 548231182 /nfs/dbraw/zinc/23/11/82/548231182.db2.gz AIZFLIXCOOAWMA-UHFFFAOYSA-N 2 2 316.493 3.494 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000675768450 548267207 /nfs/dbraw/zinc/26/72/07/548267207.db2.gz YDDAMTATRGHXLO-UONOGXRCSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000675768450 548267212 /nfs/dbraw/zinc/26/72/12/548267212.db2.gz YDDAMTATRGHXLO-UONOGXRCSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000675820568 548278673 /nfs/dbraw/zinc/27/86/73/548278673.db2.gz MKYDVKAXALFZTQ-QKLQHJQFSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000675820568 548278676 /nfs/dbraw/zinc/27/86/76/548278676.db2.gz MKYDVKAXALFZTQ-QKLQHJQFSA-N 3 2 315.505 3.142 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000675833171 548280603 /nfs/dbraw/zinc/28/06/03/548280603.db2.gz NSKFGFGHSZEILR-AWEZNQCLSA-N 2 2 310.507 3.158 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000675888895 548285471 /nfs/dbraw/zinc/28/54/71/548285471.db2.gz SNQKVPHHTAUDGI-FCEWJHQRSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000675888895 548285476 /nfs/dbraw/zinc/28/54/76/548285476.db2.gz SNQKVPHHTAUDGI-FCEWJHQRSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000675894351 548286705 /nfs/dbraw/zinc/28/67/05/548286705.db2.gz AIVCNIKWKIPEKZ-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000675894351 548286709 /nfs/dbraw/zinc/28/67/09/548286709.db2.gz AIVCNIKWKIPEKZ-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP Fc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1ccccc1 ZINC000676557330 548380418 /nfs/dbraw/zinc/38/04/18/548380418.db2.gz RTSAQHHVUZCKSJ-HZPDHXFCSA-N 2 2 312.388 3.269 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000676571223 548382670 /nfs/dbraw/zinc/38/26/70/548382670.db2.gz BTCLMHBANBACGB-XGXHKWSGSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000676571223 548382673 /nfs/dbraw/zinc/38/26/73/548382673.db2.gz BTCLMHBANBACGB-XGXHKWSGSA-N 2 2 302.462 3.369 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677749032 548549095 /nfs/dbraw/zinc/54/90/95/548549095.db2.gz GZEGHOSCRTTZHK-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000677749032 548549098 /nfs/dbraw/zinc/54/90/98/548549098.db2.gz GZEGHOSCRTTZHK-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccn1 ZINC000678029846 548596829 /nfs/dbraw/zinc/59/68/29/548596829.db2.gz DCCRMIGDNCAEDB-CRAIPNDOSA-N 2 2 306.413 3.450 20 0 DGADLP Fc1ccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000678311798 548677443 /nfs/dbraw/zinc/67/74/43/548677443.db2.gz ACARPVRYIWKYEH-AWEZNQCLSA-N 2 2 323.799 3.392 20 0 DGADLP Fc1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000678311798 548677446 /nfs/dbraw/zinc/67/74/46/548677446.db2.gz ACARPVRYIWKYEH-AWEZNQCLSA-N 2 2 323.799 3.392 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000678336713 548681497 /nfs/dbraw/zinc/68/14/97/548681497.db2.gz JBYIWKDPQQKDTD-RYRKJORJSA-N 2 2 311.429 3.332 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000678336713 548681500 /nfs/dbraw/zinc/68/15/00/548681500.db2.gz JBYIWKDPQQKDTD-RYRKJORJSA-N 2 2 311.429 3.332 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678340623 548682966 /nfs/dbraw/zinc/68/29/66/548682966.db2.gz YSJQXCGOWCLCRP-KUHUBIRLSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678340623 548682969 /nfs/dbraw/zinc/68/29/69/548682969.db2.gz YSJQXCGOWCLCRP-KUHUBIRLSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678340623 548682974 /nfs/dbraw/zinc/68/29/74/548682974.db2.gz YSJQXCGOWCLCRP-KUHUBIRLSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678340623 548682978 /nfs/dbraw/zinc/68/29/78/548682978.db2.gz YSJQXCGOWCLCRP-KUHUBIRLSA-N 2 2 310.445 3.012 20 0 DGADLP Cn1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340601 548683092 /nfs/dbraw/zinc/68/30/92/548683092.db2.gz XIUDVCDTEIFETF-BEFAXECRSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340601 548683096 /nfs/dbraw/zinc/68/30/96/548683096.db2.gz XIUDVCDTEIFETF-BEFAXECRSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000678340601 548683101 /nfs/dbraw/zinc/68/31/01/548683101.db2.gz XIUDVCDTEIFETF-BEFAXECRSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ccccc21 ZINC000678340601 548683105 /nfs/dbraw/zinc/68/31/05/548683105.db2.gz XIUDVCDTEIFETF-BEFAXECRSA-N 2 2 324.472 3.022 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H](C)C1 ZINC000678594353 548735147 /nfs/dbraw/zinc/73/51/47/548735147.db2.gz BCIHGORUXACMBB-TVQRCGJNSA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H](C)C1 ZINC000678594353 548735150 /nfs/dbraw/zinc/73/51/50/548735150.db2.gz BCIHGORUXACMBB-TVQRCGJNSA-N 2 2 304.331 3.063 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734053 548755037 /nfs/dbraw/zinc/75/50/37/548755037.db2.gz WITLHIMHQRGUHG-IPMKNSEASA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734053 548755038 /nfs/dbraw/zinc/75/50/38/548755038.db2.gz WITLHIMHQRGUHG-IPMKNSEASA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000678735378 548755081 /nfs/dbraw/zinc/75/50/81/548755081.db2.gz USMUTDVKBXJNPU-XLIONFOSSA-N 2 2 312.457 3.139 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000678735378 548755082 /nfs/dbraw/zinc/75/50/82/548755082.db2.gz USMUTDVKBXJNPU-XLIONFOSSA-N 2 2 312.457 3.139 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678842717 548778023 /nfs/dbraw/zinc/77/80/23/548778023.db2.gz YFPGQSDDIQLMBJ-BBRMVZONSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678842717 548778026 /nfs/dbraw/zinc/77/80/26/548778026.db2.gz YFPGQSDDIQLMBJ-BBRMVZONSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678842717 548778030 /nfs/dbraw/zinc/77/80/30/548778030.db2.gz YFPGQSDDIQLMBJ-BBRMVZONSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678842717 548778034 /nfs/dbraw/zinc/77/80/34/548778034.db2.gz YFPGQSDDIQLMBJ-BBRMVZONSA-N 2 2 317.502 3.081 20 0 DGADLP c1cn(C2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)c[nH+]1 ZINC000678974655 548803805 /nfs/dbraw/zinc/80/38/05/548803805.db2.gz AGCLTOAGZOJNQN-UHFFFAOYSA-N 2 2 302.447 3.056 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992381 548807607 /nfs/dbraw/zinc/80/76/07/548807607.db2.gz HATMSJSDLPLTQX-HNNXBMFYSA-N 2 2 319.518 3.186 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992381 548807609 /nfs/dbraw/zinc/80/76/09/548807609.db2.gz HATMSJSDLPLTQX-HNNXBMFYSA-N 2 2 319.518 3.186 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992381 548807615 /nfs/dbraw/zinc/80/76/15/548807615.db2.gz HATMSJSDLPLTQX-HNNXBMFYSA-N 2 2 319.518 3.186 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992381 548807619 /nfs/dbraw/zinc/80/76/19/548807619.db2.gz HATMSJSDLPLTQX-HNNXBMFYSA-N 2 2 319.518 3.186 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992997 548808750 /nfs/dbraw/zinc/80/87/50/548808750.db2.gz RYSSVQXXJUKZKY-CQSZACIVSA-N 2 2 307.507 3.186 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992997 548808754 /nfs/dbraw/zinc/80/87/54/548808754.db2.gz RYSSVQXXJUKZKY-CQSZACIVSA-N 2 2 307.507 3.186 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042299 548821563 /nfs/dbraw/zinc/82/15/63/548821563.db2.gz ABNCDTIMTXXZMH-YLJYHZDGSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042299 548821566 /nfs/dbraw/zinc/82/15/66/548821566.db2.gz ABNCDTIMTXXZMH-YLJYHZDGSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042649 548821696 /nfs/dbraw/zinc/82/16/96/548821696.db2.gz CDAWTICYMIQXBB-PXNSSMCTSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042649 548821700 /nfs/dbraw/zinc/82/17/00/548821700.db2.gz CDAWTICYMIQXBB-PXNSSMCTSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679072665 548826767 /nfs/dbraw/zinc/82/67/67/548826767.db2.gz BVDOVNNWUHLDMC-IJEWVQPXSA-N 2 2 309.404 3.069 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679072665 548826769 /nfs/dbraw/zinc/82/67/69/548826769.db2.gz BVDOVNNWUHLDMC-IJEWVQPXSA-N 2 2 309.404 3.069 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)CCCCO)[NH+]2CCCC2)cc1 ZINC000679338497 548881447 /nfs/dbraw/zinc/88/14/47/548881447.db2.gz OWDBXKLKRBEMBK-PKOBYXMFSA-N 2 2 304.478 3.273 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679345742 548882591 /nfs/dbraw/zinc/88/25/91/548882591.db2.gz PCJVQFDBTRMISL-CXAGYDPISA-N 2 2 309.417 3.086 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)C(C)(C)C ZINC000679367915 548887268 /nfs/dbraw/zinc/88/72/68/548887268.db2.gz ASUTYQBKDVTCSM-OAHLLOKOSA-N 2 2 307.413 3.423 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000679398238 548894061 /nfs/dbraw/zinc/89/40/61/548894061.db2.gz NLQQFONSPQGYGK-HNNXBMFYSA-N 2 2 311.429 3.102 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000679576620 548920382 /nfs/dbraw/zinc/92/03/82/548920382.db2.gz YOKQIZJZBNSDJB-QXAKKESOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000679576620 548920386 /nfs/dbraw/zinc/92/03/86/548920386.db2.gz YOKQIZJZBNSDJB-QXAKKESOSA-N 2 2 316.489 3.444 20 0 DGADLP c1cn(CCC[NH2+][C@H](CN2CCCCC2)c2ccccc2)c[nH+]1 ZINC000679938217 548966387 /nfs/dbraw/zinc/96/63/87/548966387.db2.gz MNLBOFZCTXCSCG-LJQANCHMSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000679983292 548974455 /nfs/dbraw/zinc/97/44/55/548974455.db2.gz MHHHLOFYQOIZNK-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP COc1ccc(C2CCC([NH2+][C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000680330303 549029579 /nfs/dbraw/zinc/02/95/79/549029579.db2.gz LZOUAJVHBPIPJK-VMWRSERWSA-N 2 2 302.462 3.405 20 0 DGADLP COc1ccc(C2CCC([NH2+][C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000680330303 549029582 /nfs/dbraw/zinc/02/95/82/549029582.db2.gz LZOUAJVHBPIPJK-VMWRSERWSA-N 2 2 302.462 3.405 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885760 549121493 /nfs/dbraw/zinc/12/14/93/549121493.db2.gz JXUJNZGKPRTOKW-QRWLVFNGSA-N 2 2 320.440 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885760 549121496 /nfs/dbraw/zinc/12/14/96/549121496.db2.gz JXUJNZGKPRTOKW-QRWLVFNGSA-N 2 2 320.440 3.173 20 0 DGADLP Clc1ccccc1-c1csc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000681399875 549203709 /nfs/dbraw/zinc/20/37/09/549203709.db2.gz HSTDAHIKAWQQTA-VXGBXAGGSA-N 2 2 319.861 3.115 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000681743211 549248290 /nfs/dbraw/zinc/24/82/90/549248290.db2.gz FSPSVBVEEUKALT-HKUYNNGSSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000681743211 549248292 /nfs/dbraw/zinc/24/82/92/549248292.db2.gz FSPSVBVEEUKALT-HKUYNNGSSA-N 2 2 304.478 3.182 20 0 DGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000682074042 549284143 /nfs/dbraw/zinc/28/41/43/549284143.db2.gz CKBSOLAZIFCYDS-ZSZQSSIHSA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000682074042 549284146 /nfs/dbraw/zinc/28/41/46/549284146.db2.gz CKBSOLAZIFCYDS-ZSZQSSIHSA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074042 549284150 /nfs/dbraw/zinc/28/41/50/549284150.db2.gz CKBSOLAZIFCYDS-ZSZQSSIHSA-N 2 2 314.477 3.103 20 0 DGADLP CC(C)CCC[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000682159021 549298820 /nfs/dbraw/zinc/29/88/20/549298820.db2.gz KTZCJENAKRESTD-IBGZPJMESA-N 2 2 304.478 3.039 20 0 DGADLP CC(C)CCC[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000682159021 549298824 /nfs/dbraw/zinc/29/88/24/549298824.db2.gz KTZCJENAKRESTD-IBGZPJMESA-N 2 2 304.478 3.039 20 0 DGADLP Cc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000683025980 549416951 /nfs/dbraw/zinc/41/69/51/549416951.db2.gz YGFPUDAVNXZGQS-XLIONFOSSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000683025980 549416955 /nfs/dbraw/zinc/41/69/55/549416955.db2.gz YGFPUDAVNXZGQS-XLIONFOSSA-N 2 2 309.457 3.390 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000683161854 549442616 /nfs/dbraw/zinc/44/26/16/549442616.db2.gz GXUOTOBCXBPBGI-UKRRQHHQSA-N 2 2 304.463 3.375 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000683161854 549442619 /nfs/dbraw/zinc/44/26/19/549442619.db2.gz GXUOTOBCXBPBGI-UKRRQHHQSA-N 2 2 304.463 3.375 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC000683691760 549519545 /nfs/dbraw/zinc/51/95/45/549519545.db2.gz KHGBLEFMWXZBEW-VJDPLVQDSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC000683691760 549519550 /nfs/dbraw/zinc/51/95/50/549519550.db2.gz KHGBLEFMWXZBEW-VJDPLVQDSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000683814212 549540322 /nfs/dbraw/zinc/54/03/22/549540322.db2.gz DSCORVMZGGQBAW-CABCVRRESA-N 2 2 323.278 3.429 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CC2 ZINC000683814212 549540324 /nfs/dbraw/zinc/54/03/24/549540324.db2.gz DSCORVMZGGQBAW-CABCVRRESA-N 2 2 323.278 3.429 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000684371982 549620846 /nfs/dbraw/zinc/62/08/46/549620846.db2.gz UDBPCQLMQOOHED-MOPGFXCFSA-N 2 2 320.452 3.337 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)C1)Cc1ccccc1 ZINC000684369265 549621007 /nfs/dbraw/zinc/62/10/07/549621007.db2.gz MISHJBPTEVLWMF-SLFFLAALSA-N 2 2 318.505 3.487 20 0 DGADLP CO[C@]1(C(F)(F)F)CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000684405947 549630791 /nfs/dbraw/zinc/63/07/91/549630791.db2.gz NNFLWCCGPIRUEN-OAHLLOKOSA-N 2 2 316.367 3.366 20 0 DGADLP CO[C@]1(C(F)(F)F)CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000684405947 549630794 /nfs/dbraw/zinc/63/07/94/549630794.db2.gz NNFLWCCGPIRUEN-OAHLLOKOSA-N 2 2 316.367 3.366 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000684968248 549728274 /nfs/dbraw/zinc/72/82/74/549728274.db2.gz PQYDJSNCKWMAQN-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1nc2c(s1)CCCC2 ZINC000685459747 549764366 /nfs/dbraw/zinc/76/43/66/549764366.db2.gz UCXTZHAHIKLRPP-UHFFFAOYSA-N 2 2 307.507 3.330 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1nc2c(s1)CCCC2 ZINC000685459747 549764367 /nfs/dbraw/zinc/76/43/67/549764367.db2.gz UCXTZHAHIKLRPP-UHFFFAOYSA-N 2 2 307.507 3.330 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470698 549767882 /nfs/dbraw/zinc/76/78/82/549767882.db2.gz JYEFSGKHDSLIPB-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470698 549767884 /nfs/dbraw/zinc/76/78/84/549767884.db2.gz JYEFSGKHDSLIPB-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470698 549767886 /nfs/dbraw/zinc/76/78/86/549767886.db2.gz JYEFSGKHDSLIPB-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470698 549767889 /nfs/dbraw/zinc/76/78/89/549767889.db2.gz JYEFSGKHDSLIPB-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)no1 ZINC000685648450 549785051 /nfs/dbraw/zinc/78/50/51/549785051.db2.gz KZTRMOCPULYFDQ-PBHICJAKSA-N 2 2 310.401 3.351 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000685665902 549787121 /nfs/dbraw/zinc/78/71/21/549787121.db2.gz NBCHEDCWSZSDHX-OALUTQOASA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000685665902 549787125 /nfs/dbraw/zinc/78/71/25/549787125.db2.gz NBCHEDCWSZSDHX-OALUTQOASA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000685665904 549787303 /nfs/dbraw/zinc/78/73/03/549787303.db2.gz NBCHEDCWSZSDHX-RTBURBONSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000685665904 549787305 /nfs/dbraw/zinc/78/73/05/549787305.db2.gz NBCHEDCWSZSDHX-RTBURBONSA-N 2 2 316.489 3.180 20 0 DGADLP CC(C)n1ccn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738159353 574859954 /nfs/dbraw/zinc/85/99/54/574859954.db2.gz SAOLMTQHIKUMSP-AWEZNQCLSA-N 2 2 305.451 3.091 20 0 DGADLP CC(C)n1ccn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738159353 574859956 /nfs/dbraw/zinc/85/99/56/574859956.db2.gz SAOLMTQHIKUMSP-AWEZNQCLSA-N 2 2 305.451 3.091 20 0 DGADLP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC000729682664 575260654 /nfs/dbraw/zinc/26/06/54/575260654.db2.gz YFUYNUOVNQMHFG-IBGZPJMESA-N 2 2 310.441 3.368 20 0 DGADLP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[N@H+](C)C3)cc2)cc1 ZINC000729682664 575260655 /nfs/dbraw/zinc/26/06/55/575260655.db2.gz YFUYNUOVNQMHFG-IBGZPJMESA-N 2 2 310.441 3.368 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)n1 ZINC000729919740 575266587 /nfs/dbraw/zinc/26/65/87/575266587.db2.gz BHYVXCSRPZSCEO-LBPRGKRZSA-N 2 2 311.216 3.422 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)n1 ZINC000729919740 575266589 /nfs/dbraw/zinc/26/65/89/575266589.db2.gz BHYVXCSRPZSCEO-LBPRGKRZSA-N 2 2 311.216 3.422 20 0 DGADLP CCC(C)(C)CC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000744399311 575340017 /nfs/dbraw/zinc/34/00/17/575340017.db2.gz IWNGYURIFOIFTR-HXUWFJFHSA-N 2 2 318.505 3.429 20 0 DGADLP CCC(C)(C)CC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000744399311 575340018 /nfs/dbraw/zinc/34/00/18/575340018.db2.gz IWNGYURIFOIFTR-HXUWFJFHSA-N 2 2 318.505 3.429 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746461268 575453995 /nfs/dbraw/zinc/45/39/95/575453995.db2.gz XHWVAGBIYMBTKW-ZDUSSCGKSA-N 2 2 321.465 3.386 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750527468 575736365 /nfs/dbraw/zinc/73/63/65/575736365.db2.gz AOQRMVDCFKJDQW-UHFFFAOYSA-N 2 2 320.481 3.297 20 0 DGADLP C[C@@H]1C[NH+]=C(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)S1 ZINC000750829207 575754800 /nfs/dbraw/zinc/75/48/00/575754800.db2.gz GDEKKPIWCNAGHL-PBHICJAKSA-N 2 2 315.486 3.173 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310280723 575930843 /nfs/dbraw/zinc/93/08/43/575930843.db2.gz WFTCLVDGRABQNM-RCCFBDPRSA-N 2 2 323.440 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000310280723 575930848 /nfs/dbraw/zinc/93/08/48/575930848.db2.gz WFTCLVDGRABQNM-RCCFBDPRSA-N 2 2 323.440 3.413 20 0 DGADLP COc1ccc2[nH+]cc(Cl)c(N3CCC([NH+](C)C)CC3)c2c1 ZINC000891780288 617895644 /nfs/dbraw/zinc/89/56/44/617895644.db2.gz WUAAZFLOMPIYEF-UHFFFAOYSA-N 2 2 319.836 3.427 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)n1 ZINC000891823158 617906227 /nfs/dbraw/zinc/90/62/27/617906227.db2.gz LDNPMYONIGSXRE-SFHVURJKSA-N 2 2 318.509 3.155 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)n1 ZINC000891823158 617906229 /nfs/dbraw/zinc/90/62/29/617906229.db2.gz LDNPMYONIGSXRE-SFHVURJKSA-N 2 2 318.509 3.155 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892121441 617967485 /nfs/dbraw/zinc/96/74/85/617967485.db2.gz NBXGINLRUUZZHE-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892121441 617967486 /nfs/dbraw/zinc/96/74/86/617967486.db2.gz NBXGINLRUUZZHE-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000892231193 617990651 /nfs/dbraw/zinc/99/06/51/617990651.db2.gz XXEKIIZWHCFRST-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000892231193 617990653 /nfs/dbraw/zinc/99/06/53/617990653.db2.gz XXEKIIZWHCFRST-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000892231193 617990657 /nfs/dbraw/zinc/99/06/57/617990657.db2.gz XXEKIIZWHCFRST-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000892231193 617990659 /nfs/dbraw/zinc/99/06/59/617990659.db2.gz XXEKIIZWHCFRST-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234819 617991673 /nfs/dbraw/zinc/99/16/73/617991673.db2.gz IJWDVHMXGOWJNV-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234819 617991676 /nfs/dbraw/zinc/99/16/76/617991676.db2.gz IJWDVHMXGOWJNV-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000892234819 617991679 /nfs/dbraw/zinc/99/16/79/617991679.db2.gz IJWDVHMXGOWJNV-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000892234819 617991686 /nfs/dbraw/zinc/99/16/86/617991686.db2.gz IJWDVHMXGOWJNV-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000892446911 618067985 /nfs/dbraw/zinc/06/79/85/618067985.db2.gz NMUFANAYLZZXJZ-UHFFFAOYSA-N 2 2 300.402 3.042 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000892447850 618068707 /nfs/dbraw/zinc/06/87/07/618068707.db2.gz WEKKVWJWGNXSAB-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP CCc1nnc(C[NH2+]Cc2cccc(C[NH+](CC)CC)c2)s1 ZINC000892612193 618118405 /nfs/dbraw/zinc/11/84/05/618118405.db2.gz HALLVGIFCNPLCE-UHFFFAOYSA-N 2 2 318.490 3.232 20 0 DGADLP CCc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc(CC)[nH+]1 ZINC000892618016 618119916 /nfs/dbraw/zinc/11/99/16/618119916.db2.gz DUCMKWQHQCPAKD-MRXNPFEDSA-N 2 2 302.466 3.056 20 0 DGADLP CCc1ncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000840888078 618135061 /nfs/dbraw/zinc/13/50/61/618135061.db2.gz XDEJKJHUOKCECJ-UHFFFAOYSA-N 2 2 316.493 3.173 20 0 DGADLP CC(C)Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000894417542 618319479 /nfs/dbraw/zinc/31/94/79/618319479.db2.gz PQDPKKKZFIWDOI-DFNIBXOVSA-N 2 2 301.478 3.337 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000894417542 618319487 /nfs/dbraw/zinc/31/94/87/618319487.db2.gz PQDPKKKZFIWDOI-DFNIBXOVSA-N 2 2 301.478 3.337 20 0 DGADLP CC(C)Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000894417542 618319495 /nfs/dbraw/zinc/31/94/95/618319495.db2.gz PQDPKKKZFIWDOI-DFNIBXOVSA-N 2 2 301.478 3.337 20 0 DGADLP CC(C)Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000894417542 618319503 /nfs/dbraw/zinc/31/95/03/618319503.db2.gz PQDPKKKZFIWDOI-DFNIBXOVSA-N 2 2 301.478 3.337 20 0 DGADLP C[C@@H]1C[C@H](Nc2nccn3c[nH+]cc23)CC[N@@H+]1Cc1ccccc1 ZINC000892848047 618327491 /nfs/dbraw/zinc/32/74/91/618327491.db2.gz QUUWNVKDKICFPW-NVXWUHKLSA-N 2 2 321.428 3.194 20 0 DGADLP C[C@@H]1C[C@H](Nc2nccn3c[nH+]cc23)CC[N@H+]1Cc1ccccc1 ZINC000892848047 618327498 /nfs/dbraw/zinc/32/74/98/618327498.db2.gz QUUWNVKDKICFPW-NVXWUHKLSA-N 2 2 321.428 3.194 20 0 DGADLP Fc1ccc(CC[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000892871087 618335178 /nfs/dbraw/zinc/33/51/78/618335178.db2.gz KFBFQSODHJFSAT-UHFFFAOYSA-N 2 2 305.372 3.384 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494516 618357770 /nfs/dbraw/zinc/35/77/70/618357770.db2.gz FGIHRTQMDRBSAE-CMPLNLGQSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494516 618357776 /nfs/dbraw/zinc/35/77/76/618357776.db2.gz FGIHRTQMDRBSAE-CMPLNLGQSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494516 618357783 /nfs/dbraw/zinc/35/77/83/618357783.db2.gz FGIHRTQMDRBSAE-CMPLNLGQSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494516 618357787 /nfs/dbraw/zinc/35/77/87/618357787.db2.gz FGIHRTQMDRBSAE-CMPLNLGQSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925515098 618452031 /nfs/dbraw/zinc/45/20/31/618452031.db2.gz DKZZKMWLMPAVOT-AFAVFJNCSA-N 2 2 304.821 3.052 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893322955 618513066 /nfs/dbraw/zinc/51/30/66/618513066.db2.gz YTUQZOAFXTXZDW-UHFFFAOYSA-N 2 2 309.401 3.069 20 0 DGADLP Cc1cc(CNc2cnn(-c3cc[nH+]cc3)c2)c2c([nH+]1)CCCC2 ZINC000893348789 618525116 /nfs/dbraw/zinc/52/51/16/618525116.db2.gz YBIQENMCOXAWFL-UHFFFAOYSA-N 2 2 319.412 3.462 20 0 DGADLP CCCC[C@H](COC)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110756 618539350 /nfs/dbraw/zinc/53/93/50/618539350.db2.gz WNHRQXYPSJAYRD-BRWVUGGUSA-N 2 2 305.466 3.363 20 0 DGADLP CCc1cnc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895110378 618539370 /nfs/dbraw/zinc/53/93/70/618539370.db2.gz JWFWLOSNTVKZSO-HDJSIYSDSA-N 2 2 316.474 3.377 20 0 DGADLP CC(C)[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110309 618539461 /nfs/dbraw/zinc/53/94/61/618539461.db2.gz IBVUAJLEMNDRAM-TVFCKZIOSA-N 2 2 317.477 3.362 20 0 DGADLP C[C@H]([C@@H]1CCCCO1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112508 618540553 /nfs/dbraw/zinc/54/05/53/618540553.db2.gz AEBUPEAHCYULDE-VQHPVUNQSA-N 2 2 303.450 3.116 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(Cl)cn2)c2cccc[nH+]2)CC1 ZINC000895113308 618540597 /nfs/dbraw/zinc/54/05/97/618540597.db2.gz IMYNEQFAVJOZBM-KOMQPUFPSA-N 2 2 316.836 3.407 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925723308 618556839 /nfs/dbraw/zinc/55/68/39/618556839.db2.gz URNQZRXKBITFIS-VQIMIIECSA-N 3 2 303.494 3.175 20 0 DGADLP Fc1cccc(/C=C\C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193047 618572369 /nfs/dbraw/zinc/57/23/69/618572369.db2.gz PASIALGUIZJQJI-LVXZVAJSSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1cccc(/C=C\C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193047 618572371 /nfs/dbraw/zinc/57/23/71/618572371.db2.gz PASIALGUIZJQJI-LVXZVAJSSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1cccc(/C=C/C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193049 618572374 /nfs/dbraw/zinc/57/23/74/618572374.db2.gz PASIALGUIZJQJI-XUYKHGSPSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1cccc(/C=C/C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193049 618572377 /nfs/dbraw/zinc/57/23/77/618572377.db2.gz PASIALGUIZJQJI-XUYKHGSPSA-N 2 2 318.436 3.026 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000895291057 618588864 /nfs/dbraw/zinc/58/88/64/618588864.db2.gz ZDVINJPWVFQAFC-POAQFYNOSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000895291057 618588867 /nfs/dbraw/zinc/58/88/67/618588867.db2.gz ZDVINJPWVFQAFC-POAQFYNOSA-N 3 2 315.505 3.284 20 0 DGADLP CCOc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1OC(F)F ZINC000895299296 618590011 /nfs/dbraw/zinc/59/00/11/618590011.db2.gz IGPWMLRXYCVFLK-LBPRGKRZSA-N 2 2 316.392 3.117 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(-c2ccncc2)cc1F)[NH+](C)C ZINC000895297441 618590393 /nfs/dbraw/zinc/59/03/93/618590393.db2.gz WCNXOCOJOBGBAA-CQSZACIVSA-N 2 2 301.409 3.318 20 0 DGADLP COc1ccc2[nH+]ccc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000893564720 618603957 /nfs/dbraw/zinc/60/39/57/618603957.db2.gz FTRQFBJOKYVONQ-MRXNPFEDSA-N 2 2 321.380 3.296 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCC2 ZINC000925792221 618620774 /nfs/dbraw/zinc/62/07/74/618620774.db2.gz AFEIZHATYXAKBV-ZFWWWQNUSA-N 2 2 320.502 3.046 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c(C)c1 ZINC000925793532 618620832 /nfs/dbraw/zinc/62/08/32/618620832.db2.gz IUTKGRFVFUHBHM-IAGOWNOFSA-N 2 2 302.462 3.113 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(F)c1 ZINC000925792092 618620846 /nfs/dbraw/zinc/62/08/46/618620846.db2.gz OVGYKDQSCIKJHB-DLBZAZTESA-N 2 2 306.425 3.025 20 0 DGADLP COCC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000925923883 618671647 /nfs/dbraw/zinc/67/16/47/618671647.db2.gz KBOLIBKNTQYDDQ-AEFFLSMTSA-N 2 2 300.446 3.123 20 0 DGADLP COCC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000925923883 618671649 /nfs/dbraw/zinc/67/16/49/618671649.db2.gz KBOLIBKNTQYDDQ-AEFFLSMTSA-N 2 2 300.446 3.123 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000894038249 618697583 /nfs/dbraw/zinc/69/75/83/618697583.db2.gz XOGDRILNQMZYBK-NSHDSACASA-N 2 2 321.412 3.164 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000894038249 618697584 /nfs/dbraw/zinc/69/75/84/618697584.db2.gz XOGDRILNQMZYBK-NSHDSACASA-N 2 2 321.412 3.164 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000894170996 618724270 /nfs/dbraw/zinc/72/42/70/618724270.db2.gz CSFHYDQDSAPYPR-UHFFFAOYSA-N 2 2 301.478 3.387 20 0 DGADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1c[nH]cn1)C1CCCCC1 ZINC000894198968 618727170 /nfs/dbraw/zinc/72/71/70/618727170.db2.gz IHPKZGSCVCQHIU-UHFFFAOYSA-N 2 2 312.461 3.464 20 0 DGADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1c[nH]cn1)C1CCCCC1 ZINC000894198968 618727173 /nfs/dbraw/zinc/72/71/73/618727173.db2.gz IHPKZGSCVCQHIU-UHFFFAOYSA-N 2 2 312.461 3.464 20 0 DGADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(OC)n1 ZINC000924925041 618739821 /nfs/dbraw/zinc/73/98/21/618739821.db2.gz FIJXERMMMNGGKJ-OAHLLOKOSA-N 2 2 314.433 3.418 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000894288614 618753159 /nfs/dbraw/zinc/75/31/59/618753159.db2.gz WDHPQLNOPIIKAL-BBRMVZONSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000894288614 618753161 /nfs/dbraw/zinc/75/31/61/618753161.db2.gz WDHPQLNOPIIKAL-BBRMVZONSA-N 2 2 305.447 3.217 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000895381549 618776455 /nfs/dbraw/zinc/77/64/55/618776455.db2.gz UPZKUZROKDVOOE-ZBFHGGJFSA-N 2 2 301.434 3.380 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000895381549 618776456 /nfs/dbraw/zinc/77/64/56/618776456.db2.gz UPZKUZROKDVOOE-ZBFHGGJFSA-N 2 2 301.434 3.380 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000895554194 618798195 /nfs/dbraw/zinc/79/81/95/618798195.db2.gz LRALEZBDIPGMMC-UHFFFAOYSA-N 2 2 317.477 3.326 20 0 DGADLP CSc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000896193698 618883672 /nfs/dbraw/zinc/88/36/72/618883672.db2.gz DURHHECJQIPEIW-UHFFFAOYSA-N 2 2 303.431 3.473 20 0 DGADLP CCn1c[nH+]c2c1CCN(c1cc[nH+]c3cc(OC)ccc31)C2 ZINC000896658858 618940223 /nfs/dbraw/zinc/94/02/23/618940223.db2.gz ARAUFDLTUCOKJY-UHFFFAOYSA-N 2 2 308.385 3.023 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cn(C)cn1 ZINC000925138902 618989832 /nfs/dbraw/zinc/98/98/32/618989832.db2.gz YQYPCSBAECOVHI-GRDNDAEWSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cn(C)cn1 ZINC000925138902 618989835 /nfs/dbraw/zinc/98/98/35/618989835.db2.gz YQYPCSBAECOVHI-GRDNDAEWSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccc(C[NH+](C)C)c1 ZINC000925170252 619064894 /nfs/dbraw/zinc/06/48/94/619064894.db2.gz LJLXJUBXDBJKFZ-QAPCUYQASA-N 3 2 312.461 3.173 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnnc1 ZINC000925230167 619086780 /nfs/dbraw/zinc/08/67/80/619086780.db2.gz UAYOOBNNYBZITF-JTDSTZFVSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccnnc1 ZINC000925230167 619086782 /nfs/dbraw/zinc/08/67/82/619086782.db2.gz UAYOOBNNYBZITF-JTDSTZFVSA-N 2 2 310.445 3.180 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1OC ZINC000897981592 619203054 /nfs/dbraw/zinc/20/30/54/619203054.db2.gz NWKJIPMVVHQUBP-UHFFFAOYSA-N 2 2 318.461 3.119 20 0 DGADLP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034673 619208551 /nfs/dbraw/zinc/20/85/51/619208551.db2.gz VECRVFHYLCHEQH-VBKZILBWSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034673 619208553 /nfs/dbraw/zinc/20/85/53/619208553.db2.gz VECRVFHYLCHEQH-VBKZILBWSA-N 2 2 304.415 3.031 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCOC34CCCC4)c2)c[nH+]1 ZINC000898111200 619214708 /nfs/dbraw/zinc/21/47/08/619214708.db2.gz ITEUGYJTQJMZCB-OAHLLOKOSA-N 2 2 303.431 3.125 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H](c3ccncc3)C3CC3)CC2)[nH+]c1 ZINC000898322004 619233178 /nfs/dbraw/zinc/23/31/78/619233178.db2.gz GIQVQVMRRSEQRS-IBGZPJMESA-N 2 2 308.429 3.186 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924623842 619246781 /nfs/dbraw/zinc/24/67/81/619246781.db2.gz SJMDIGFFHBRSTI-RBUKOAKNSA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924623842 619246782 /nfs/dbraw/zinc/24/67/82/619246782.db2.gz SJMDIGFFHBRSTI-RBUKOAKNSA-N 2 2 309.457 3.384 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCS1 ZINC000927029784 619258382 /nfs/dbraw/zinc/25/83/82/619258382.db2.gz FWADJYUWXDRVEX-YFHUEUNASA-N 2 2 319.518 3.166 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCS1 ZINC000927029784 619258385 /nfs/dbraw/zinc/25/83/85/619258385.db2.gz FWADJYUWXDRVEX-YFHUEUNASA-N 2 2 319.518 3.166 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Br)CC1 ZINC000924727497 619268358 /nfs/dbraw/zinc/26/83/58/619268358.db2.gz APXOIKFESRJJNC-VXGBXAGGSA-N 2 2 314.271 3.203 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000924771450 619400975 /nfs/dbraw/zinc/40/09/75/619400975.db2.gz YGARDJZFVGKSBS-LJQANCHMSA-N 2 2 311.429 3.167 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000902364212 619627340 /nfs/dbraw/zinc/62/73/40/619627340.db2.gz PXURGFNAIAZEEP-HOTGVXAUSA-N 2 2 308.466 3.361 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000902434979 619635274 /nfs/dbraw/zinc/63/52/74/619635274.db2.gz QZVWGBWEKXHFOH-LYBGUNNDSA-N 2 2 314.473 3.471 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902436537 619635811 /nfs/dbraw/zinc/63/58/11/619635811.db2.gz ZESNCYQMSYHYQJ-AGDIMFIHSA-N 2 2 322.452 3.402 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1F ZINC000902445981 619637657 /nfs/dbraw/zinc/63/76/57/619637657.db2.gz REILZABJPXNZJT-LIXBPZJASA-N 2 2 300.377 3.110 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(F)(F)F)cn1 ZINC000902721315 619665896 /nfs/dbraw/zinc/66/58/96/619665896.db2.gz VINPPAKYVJBWTP-NSHDSACASA-N 2 2 303.372 3.339 20 0 DGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902795498 619677710 /nfs/dbraw/zinc/67/77/10/619677710.db2.gz CZIKLBWZBYFFGL-CEXWTWQISA-N 2 2 306.494 3.046 20 0 DGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902795498 619677711 /nfs/dbraw/zinc/67/77/11/619677711.db2.gz CZIKLBWZBYFFGL-CEXWTWQISA-N 2 2 306.494 3.046 20 0 DGADLP CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902800125 619678480 /nfs/dbraw/zinc/67/84/80/619678480.db2.gz JTJNSRNXYGDRAU-KDOFPFPSSA-N 2 2 301.434 3.320 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902826778 619679987 /nfs/dbraw/zinc/67/99/87/619679987.db2.gz WKAHTPAGOGODJI-HZPDHXFCSA-N 2 2 301.434 3.322 20 0 DGADLP Fc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCOCC1 ZINC000903056410 619707213 /nfs/dbraw/zinc/70/72/13/619707213.db2.gz UJQKMCCSFVWUGH-SFHVURJKSA-N 2 2 317.408 3.170 20 0 DGADLP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000903082559 619712653 /nfs/dbraw/zinc/71/26/53/619712653.db2.gz UOJLINBUNFXEDE-GFLQDLJJSA-N 2 2 318.505 3.187 20 0 DGADLP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000903082559 619712655 /nfs/dbraw/zinc/71/26/55/619712655.db2.gz UOJLINBUNFXEDE-GFLQDLJJSA-N 2 2 318.505 3.187 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(CC2CCC2)c1 ZINC000903105806 619717440 /nfs/dbraw/zinc/71/74/40/619717440.db2.gz DXQSZVDVALXTGR-OAHLLOKOSA-N 2 2 313.449 3.231 20 0 DGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903192666 619733537 /nfs/dbraw/zinc/73/35/37/619733537.db2.gz QBNYNXNWTZKPEO-WLFXSESQSA-N 2 2 300.421 3.371 20 0 DGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903192666 619733539 /nfs/dbraw/zinc/73/35/39/619733539.db2.gz QBNYNXNWTZKPEO-WLFXSESQSA-N 2 2 300.421 3.371 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000903343697 619760721 /nfs/dbraw/zinc/76/07/21/619760721.db2.gz JNKYDLDKDBAAMF-WMZOPIPTSA-N 2 2 301.478 3.114 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000903343697 619760722 /nfs/dbraw/zinc/76/07/22/619760722.db2.gz JNKYDLDKDBAAMF-WMZOPIPTSA-N 2 2 301.478 3.114 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382179 619769078 /nfs/dbraw/zinc/76/90/78/619769078.db2.gz DGDPHSNRIHWXPS-HNAYVOBHSA-N 2 2 315.436 3.434 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385411 619769531 /nfs/dbraw/zinc/76/95/31/619769531.db2.gz XHLTVDFRURQIAR-HNAYVOBHSA-N 2 2 315.436 3.434 20 0 DGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805650 619816676 /nfs/dbraw/zinc/81/66/76/619816676.db2.gz QOLGQMWIGNEARX-HZMVEIRTSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805650 619816681 /nfs/dbraw/zinc/81/66/81/619816681.db2.gz QOLGQMWIGNEARX-HZMVEIRTSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000903813442 619818313 /nfs/dbraw/zinc/81/83/13/619818313.db2.gz GJGOUENLLGWJFO-IBGZPJMESA-N 3 2 324.472 3.356 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000903813442 619818314 /nfs/dbraw/zinc/81/83/14/619818314.db2.gz GJGOUENLLGWJFO-IBGZPJMESA-N 3 2 324.472 3.356 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000903843923 619822704 /nfs/dbraw/zinc/82/27/04/619822704.db2.gz XBTLSEXTLUMZQR-GVXVVHGQSA-N 2 2 305.472 3.183 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000903843923 619822707 /nfs/dbraw/zinc/82/27/07/619822707.db2.gz XBTLSEXTLUMZQR-GVXVVHGQSA-N 2 2 305.472 3.183 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000903899391 619830767 /nfs/dbraw/zinc/83/07/67/619830767.db2.gz UEXBQPSKQATOBB-CHWSQXEVSA-N 2 2 300.418 3.083 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000903899391 619830768 /nfs/dbraw/zinc/83/07/68/619830768.db2.gz UEXBQPSKQATOBB-CHWSQXEVSA-N 2 2 300.418 3.083 20 0 DGADLP CC(C)(C)CC[C@H]([NH3+])CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000904388709 619917503 /nfs/dbraw/zinc/91/75/03/619917503.db2.gz NQEXKRZZEFUMPL-HNNXBMFYSA-N 2 2 304.482 3.112 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000904444328 619923209 /nfs/dbraw/zinc/92/32/09/619923209.db2.gz QEPDEOUSANKTGT-UHFFFAOYSA-N 2 2 323.156 3.049 20 0 DGADLP CN(C)c1cc(-c2cccc(C[NH2+]C3CCOCC3)c2)cc[nH+]1 ZINC000904849214 619954744 /nfs/dbraw/zinc/95/47/44/619954744.db2.gz JAEUNGVGFWQZPR-UHFFFAOYSA-N 2 2 311.429 3.083 20 0 DGADLP Cc1cc(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc(C)[nH+]1 ZINC000911171148 620328024 /nfs/dbraw/zinc/32/80/24/620328024.db2.gz CEJBLIKVJNPEQH-UHFFFAOYSA-N 2 2 322.412 3.233 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc2c1OCO2 ZINC000924843716 620358850 /nfs/dbraw/zinc/35/88/50/620358850.db2.gz MDCDOHQOSUCKIT-ZDUSSCGKSA-N 2 2 302.418 3.083 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925405873 620513390 /nfs/dbraw/zinc/51/33/90/620513390.db2.gz XKSRBMIHNUWIJQ-GOEBONIOSA-N 2 2 319.518 3.171 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925405873 620513393 /nfs/dbraw/zinc/51/33/93/620513393.db2.gz XKSRBMIHNUWIJQ-GOEBONIOSA-N 2 2 319.518 3.171 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnc(Cl)c1 ZINC000152789212 620523608 /nfs/dbraw/zinc/52/36/08/620523608.db2.gz RZGZJUGFIDEKTC-LBPRGKRZSA-N 2 2 304.825 3.161 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000915689241 620594220 /nfs/dbraw/zinc/59/42/20/620594220.db2.gz LDHDDIWVOSSOJS-KRWDZBQOSA-N 2 2 310.869 3.007 20 0 DGADLP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000915689241 620594221 /nfs/dbraw/zinc/59/42/21/620594221.db2.gz LDHDDIWVOSSOJS-KRWDZBQOSA-N 2 2 310.869 3.007 20 0 DGADLP CC1(C)CC([NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC(C)(C)[NH2+]1 ZINC000921492830 620858718 /nfs/dbraw/zinc/85/87/18/620858718.db2.gz AYSACOHFINSZEG-UHFFFAOYSA-N 2 2 310.873 3.339 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[N@@H+](C)C3CCC3)cc2)[nH+]c1C ZINC000921655599 620927824 /nfs/dbraw/zinc/92/78/24/620927824.db2.gz JYJSOSNLXRHONA-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[N@H+](C)C3CCC3)cc2)[nH+]c1C ZINC000921655599 620927825 /nfs/dbraw/zinc/92/78/25/620927825.db2.gz JYJSOSNLXRHONA-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n(C2CCC2)n1 ZINC000921809519 620953502 /nfs/dbraw/zinc/95/35/02/620953502.db2.gz HSMUDAXYHHCAMQ-UHFFFAOYSA-N 2 2 316.493 3.495 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CCCC1 ZINC000921998253 620978612 /nfs/dbraw/zinc/97/86/12/620978612.db2.gz ZQWSFHIEJJTUMI-UHFFFAOYSA-N 2 2 310.873 3.152 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(Oc3ccccn3)c1)CC2 ZINC000922016543 620981003 /nfs/dbraw/zinc/98/10/03/620981003.db2.gz BJYNOPITGZVALI-MRXNPFEDSA-N 2 2 320.396 3.175 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000922140577 620994424 /nfs/dbraw/zinc/99/44/24/620994424.db2.gz VQJIMBICJJHGTR-LBPRGKRZSA-N 2 2 320.234 3.128 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cnn(C)c1 ZINC000922893032 621120405 /nfs/dbraw/zinc/12/04/05/621120405.db2.gz HFEKADGSLFRXTJ-MRXNPFEDSA-N 2 2 315.446 3.154 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)c2)c[nH+]1 ZINC000922894744 621122097 /nfs/dbraw/zinc/12/20/97/621122097.db2.gz AFHGIQWCHHNNDL-WMLDXEAASA-N 2 2 317.458 3.229 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863861 621124887 /nfs/dbraw/zinc/12/48/87/621124887.db2.gz BUWJRTVUVPDVGS-LXZKKBNFSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863861 621124890 /nfs/dbraw/zinc/12/48/90/621124890.db2.gz BUWJRTVUVPDVGS-LXZKKBNFSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863861 621124891 /nfs/dbraw/zinc/12/48/91/621124891.db2.gz BUWJRTVUVPDVGS-LXZKKBNFSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863861 621124894 /nfs/dbraw/zinc/12/48/94/621124894.db2.gz BUWJRTVUVPDVGS-LXZKKBNFSA-N 2 2 302.466 3.030 20 0 DGADLP Fc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000858094644 621152047 /nfs/dbraw/zinc/15/20/47/621152047.db2.gz RICMKRGNWBURAE-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC000863570448 621684525 /nfs/dbraw/zinc/68/45/25/621684525.db2.gz HJVVEZSUGLQHDO-ROUUACIJSA-N 2 2 322.880 3.370 20 0 DGADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC000863570448 621684527 /nfs/dbraw/zinc/68/45/27/621684527.db2.gz HJVVEZSUGLQHDO-ROUUACIJSA-N 2 2 322.880 3.370 20 0 DGADLP c1ccc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2)nc1 ZINC000863644239 621693020 /nfs/dbraw/zinc/69/30/20/621693020.db2.gz OKNGVRZHNNHZEU-IBGZPJMESA-N 2 2 323.440 3.035 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000863652903 621694268 /nfs/dbraw/zinc/69/42/68/621694268.db2.gz YPFPVSUICRYMFC-CQSZACIVSA-N 2 2 300.402 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc2)cc1 ZINC000863652903 621694269 /nfs/dbraw/zinc/69/42/69/621694269.db2.gz YPFPVSUICRYMFC-CQSZACIVSA-N 2 2 300.402 3.267 20 0 DGADLP CCCCOCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000119612893 621706159 /nfs/dbraw/zinc/70/61/59/621706159.db2.gz QXGPRXYKBSNWQA-UHFFFAOYSA-N 2 2 319.493 3.128 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(OC(C)(C)C)c1)Cn1cc[nH+]c1 ZINC000865433980 621920128 /nfs/dbraw/zinc/92/01/28/621920128.db2.gz RPYSSCJXYDKUPV-OAHLLOKOSA-N 2 2 301.434 3.486 20 0 DGADLP c1nc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1C1CC1 ZINC000865436228 621920639 /nfs/dbraw/zinc/92/06/39/621920639.db2.gz XYXQZFINOBPJNC-GOSISDBHSA-N 2 2 324.472 3.220 20 0 DGADLP c1nc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1C1CC1 ZINC000865436228 621920642 /nfs/dbraw/zinc/92/06/42/621920642.db2.gz XYXQZFINOBPJNC-GOSISDBHSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@@H+]1C ZINC000865474715 621929598 /nfs/dbraw/zinc/92/95/98/621929598.db2.gz BOJJZYXTMOLMTR-PWSUYJOCSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000865474715 621929599 /nfs/dbraw/zinc/92/95/99/621929599.db2.gz BOJJZYXTMOLMTR-PWSUYJOCSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000865613218 621961938 /nfs/dbraw/zinc/96/19/38/621961938.db2.gz UZKWDBKQVTWCEG-RISCZKNCSA-N 2 2 310.323 3.384 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000866245229 622074723 /nfs/dbraw/zinc/07/47/23/622074723.db2.gz YUTSCBQKDGMIEF-MRXNPFEDSA-N 2 2 306.413 3.378 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866635721 622151295 /nfs/dbraw/zinc/15/12/95/622151295.db2.gz CXYRFIKGCZKWGY-DNVCBOLYSA-N 2 2 313.445 3.464 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC000764464877 622196191 /nfs/dbraw/zinc/19/61/91/622196191.db2.gz RDWSWKKPRILQDH-ZIFCJYIRSA-N 2 2 304.478 3.474 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000764950482 622235154 /nfs/dbraw/zinc/23/51/54/622235154.db2.gz QYGBRQIUVXSEIP-DLBZAZTESA-N 2 2 304.478 3.338 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000764950482 622235156 /nfs/dbraw/zinc/23/51/56/622235156.db2.gz QYGBRQIUVXSEIP-DLBZAZTESA-N 2 2 304.478 3.338 20 0 DGADLP C[C@H](COc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000765435012 622265076 /nfs/dbraw/zinc/26/50/76/622265076.db2.gz ACWHGOUMGNPVGW-MRXNPFEDSA-N 2 2 311.429 3.108 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH]n1 ZINC000766001510 622299536 /nfs/dbraw/zinc/29/95/36/622299536.db2.gz IPFORRYPEOFHFQ-MAUKXSAKSA-N 2 2 312.461 3.115 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH]n1 ZINC000766001510 622299539 /nfs/dbraw/zinc/29/95/39/622299539.db2.gz IPFORRYPEOFHFQ-MAUKXSAKSA-N 2 2 312.461 3.115 20 0 DGADLP CS[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766605170 622341858 /nfs/dbraw/zinc/34/18/58/622341858.db2.gz RRUHXADPNJBXME-QZTJIDSGSA-N 2 2 319.518 3.205 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)c2)[nH+]c1C ZINC000870871956 622520609 /nfs/dbraw/zinc/52/06/09/622520609.db2.gz FENWJACWLDSGLE-OTVXOJSOSA-N 2 2 312.417 3.150 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1F ZINC000769541079 622539192 /nfs/dbraw/zinc/53/91/92/622539192.db2.gz BVVDUPGWTCOSLG-CABCVRRESA-N 2 2 308.441 3.087 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1F ZINC000769541079 622539193 /nfs/dbraw/zinc/53/91/93/622539193.db2.gz BVVDUPGWTCOSLG-CABCVRRESA-N 2 2 308.441 3.087 20 0 DGADLP Cc1[nH+]ccn1CCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000769559163 622540911 /nfs/dbraw/zinc/54/09/11/622540911.db2.gz VRMXMBAMMGQSMJ-UHFFFAOYSA-N 2 2 316.449 3.296 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874826 622570615 /nfs/dbraw/zinc/57/06/15/622570615.db2.gz MMXDIFIMADNSDI-HNAYVOBHSA-N 2 2 314.473 3.463 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874826 622570617 /nfs/dbraw/zinc/57/06/17/622570617.db2.gz MMXDIFIMADNSDI-HNAYVOBHSA-N 2 2 314.473 3.463 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)nc2C)cn1 ZINC000771384118 622751081 /nfs/dbraw/zinc/75/10/81/622751081.db2.gz NFMQVXBBWKEATO-CQSZACIVSA-N 2 2 321.428 3.438 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)nc1 ZINC000771387469 622751946 /nfs/dbraw/zinc/75/19/46/622751946.db2.gz DVCNNBPBUWMDMN-XJKSGUPXSA-N 2 2 323.868 3.029 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872023558 622757393 /nfs/dbraw/zinc/75/73/93/622757393.db2.gz ISBKNMWIGUKWGN-CVEARBPZSA-N 2 2 305.466 3.379 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000872121988 622821321 /nfs/dbraw/zinc/82/13/21/622821321.db2.gz INONGVGSXSZNKR-ZFWWWQNUSA-N 2 2 316.474 3.025 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000872121988 622821322 /nfs/dbraw/zinc/82/13/22/622821322.db2.gz INONGVGSXSZNKR-ZFWWWQNUSA-N 2 2 316.474 3.025 20 0 DGADLP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158906 622840490 /nfs/dbraw/zinc/84/04/90/622840490.db2.gz ZBEWGTZZCCMJRB-UKRRQHHQSA-N 2 2 324.900 3.193 20 0 DGADLP Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158906 622840496 /nfs/dbraw/zinc/84/04/96/622840496.db2.gz ZBEWGTZZCCMJRB-UKRRQHHQSA-N 2 2 324.900 3.193 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000872250810 622867527 /nfs/dbraw/zinc/86/75/27/622867527.db2.gz CBAZCZCOPGVURW-LBPRGKRZSA-N 2 2 305.447 3.271 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438700 623144620 /nfs/dbraw/zinc/14/46/20/623144620.db2.gz GRKRSRCMIHLKEG-CXAGYDPISA-N 2 2 317.433 3.304 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438700 623144623 /nfs/dbraw/zinc/14/46/23/623144623.db2.gz GRKRSRCMIHLKEG-CXAGYDPISA-N 2 2 317.433 3.304 20 0 DGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccon2)ccc1OC ZINC000775393132 623265673 /nfs/dbraw/zinc/26/56/73/623265673.db2.gz DLXXCPKCTJFJCI-AWEZNQCLSA-N 2 2 317.433 3.376 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2CCCCCCC2)CC1 ZINC000775621516 623297625 /nfs/dbraw/zinc/29/76/25/623297625.db2.gz KWLIXHWBCVTMDY-UHFFFAOYSA-N 2 2 324.509 3.354 20 0 DGADLP Clc1cscc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000776175102 623390152 /nfs/dbraw/zinc/39/01/52/623390152.db2.gz UWBDROIWDDTYOA-CQSZACIVSA-N 2 2 314.882 3.135 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2ccc([NH+](C)C)cc2)[C@@H](C)C1 ZINC000777602586 623547158 /nfs/dbraw/zinc/54/71/58/623547158.db2.gz SJSSHFMVURMAMK-LPHOPBHVSA-N 2 2 319.493 3.302 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2ccc([NH+](C)C)cc2)[C@@H](C)C1 ZINC000777602586 623547160 /nfs/dbraw/zinc/54/71/60/623547160.db2.gz SJSSHFMVURMAMK-LPHOPBHVSA-N 2 2 319.493 3.302 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)c2)[nH+]c1C ZINC000876735610 623691839 /nfs/dbraw/zinc/69/18/39/623691839.db2.gz GSSBRNISDDMTDU-GJZGRUSLSA-N 2 2 312.417 3.005 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876770986 623702716 /nfs/dbraw/zinc/70/27/16/623702716.db2.gz LNOFVWSOVYIJCJ-OAHLLOKOSA-N 2 2 307.457 3.055 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876770986 623702720 /nfs/dbraw/zinc/70/27/20/623702720.db2.gz LNOFVWSOVYIJCJ-OAHLLOKOSA-N 2 2 307.457 3.055 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CC3 ZINC000779070617 623727849 /nfs/dbraw/zinc/72/78/49/623727849.db2.gz BVFJOBVQQUDMRB-HOTGVXAUSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CC3 ZINC000779070617 623727852 /nfs/dbraw/zinc/72/78/52/623727852.db2.gz BVFJOBVQQUDMRB-HOTGVXAUSA-N 2 2 311.473 3.408 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876907412 623741817 /nfs/dbraw/zinc/74/18/17/623741817.db2.gz RGXSHEWTGWNPGF-UHFFFAOYSA-N 2 2 307.825 3.444 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000876927342 623745640 /nfs/dbraw/zinc/74/56/40/623745640.db2.gz ZJMQCMPCFFXUTJ-MDOVXXIYSA-N 2 2 304.415 3.173 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876985893 623759480 /nfs/dbraw/zinc/75/94/80/623759480.db2.gz USPUAJUWRMVUCO-MRXNPFEDSA-N 2 2 319.449 3.217 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876985893 623759483 /nfs/dbraw/zinc/75/94/83/623759483.db2.gz USPUAJUWRMVUCO-MRXNPFEDSA-N 2 2 319.449 3.217 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000779391987 623765805 /nfs/dbraw/zinc/76/58/05/623765805.db2.gz LYWUYUBVGGMVKY-UONOGXRCSA-N 2 2 309.454 3.008 20 0 DGADLP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(Cl)cc1O ZINC000877073840 623784211 /nfs/dbraw/zinc/78/42/11/623784211.db2.gz TWMFWQMHIQKTNB-QWHCGFSZSA-N 2 2 312.841 3.017 20 0 DGADLP Clc1nccc2oc(C[NH2+]CCCNc3cccc[nH+]3)cc21 ZINC000877157143 623809820 /nfs/dbraw/zinc/80/98/20/623809820.db2.gz NPEVODOQLMNEEU-UHFFFAOYSA-N 2 2 316.792 3.468 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531609 623928067 /nfs/dbraw/zinc/92/80/67/623928067.db2.gz PSYLYZSCJOFFLJ-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531609 623928070 /nfs/dbraw/zinc/92/80/70/623928070.db2.gz PSYLYZSCJOFFLJ-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531609 623928075 /nfs/dbraw/zinc/92/80/75/623928075.db2.gz PSYLYZSCJOFFLJ-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531609 623928077 /nfs/dbraw/zinc/92/80/77/623928077.db2.gz PSYLYZSCJOFFLJ-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741439 624014300 /nfs/dbraw/zinc/01/43/00/624014300.db2.gz VVHGHZCCTLTEMA-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741439 624014301 /nfs/dbraw/zinc/01/43/01/624014301.db2.gz VVHGHZCCTLTEMA-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741439 624014303 /nfs/dbraw/zinc/01/43/03/624014303.db2.gz VVHGHZCCTLTEMA-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741439 624014305 /nfs/dbraw/zinc/01/43/05/624014305.db2.gz VVHGHZCCTLTEMA-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743186 624016392 /nfs/dbraw/zinc/01/63/92/624016392.db2.gz ITEKGOLESOFXJN-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743186 624016398 /nfs/dbraw/zinc/01/63/98/624016398.db2.gz ITEKGOLESOFXJN-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC(C)C ZINC000877743186 624016402 /nfs/dbraw/zinc/01/64/02/624016402.db2.gz ITEKGOLESOFXJN-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC(C)C ZINC000877743186 624016411 /nfs/dbraw/zinc/01/64/11/624016411.db2.gz ITEKGOLESOFXJN-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000877743559 624016774 /nfs/dbraw/zinc/01/67/74/624016774.db2.gz LCYKRJVTXRQNPD-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000877743559 624016777 /nfs/dbraw/zinc/01/67/77/624016777.db2.gz LCYKRJVTXRQNPD-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000877743559 624016781 /nfs/dbraw/zinc/01/67/81/624016781.db2.gz LCYKRJVTXRQNPD-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1OC ZINC000877743559 624016783 /nfs/dbraw/zinc/01/67/83/624016783.db2.gz LCYKRJVTXRQNPD-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878176178 624202200 /nfs/dbraw/zinc/20/22/00/624202200.db2.gz JHYAUWMIKIDPOU-FUMNGEBKSA-N 2 2 314.473 3.465 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878176178 624202202 /nfs/dbraw/zinc/20/22/02/624202202.db2.gz JHYAUWMIKIDPOU-FUMNGEBKSA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878176178 624202205 /nfs/dbraw/zinc/20/22/05/624202205.db2.gz JHYAUWMIKIDPOU-FUMNGEBKSA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878176178 624202206 /nfs/dbraw/zinc/20/22/06/624202206.db2.gz JHYAUWMIKIDPOU-FUMNGEBKSA-N 2 2 314.473 3.465 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258848 624228580 /nfs/dbraw/zinc/22/85/80/624228580.db2.gz VWBLSUKRGQDFFW-FZMZJTMJSA-N 2 2 304.356 3.461 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258848 624228584 /nfs/dbraw/zinc/22/85/84/624228584.db2.gz VWBLSUKRGQDFFW-FZMZJTMJSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258848 624228589 /nfs/dbraw/zinc/22/85/89/624228589.db2.gz VWBLSUKRGQDFFW-FZMZJTMJSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258848 624228590 /nfs/dbraw/zinc/22/85/90/624228590.db2.gz VWBLSUKRGQDFFW-FZMZJTMJSA-N 2 2 304.356 3.461 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396749 624266091 /nfs/dbraw/zinc/26/60/91/624266091.db2.gz KOJVBOSIVAULIT-QAPCUYQASA-N 2 2 311.429 3.482 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000783517649 624360795 /nfs/dbraw/zinc/36/07/95/624360795.db2.gz HBTYMVOAWUYUJH-RHSMWYFYSA-N 2 2 305.491 3.092 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572536 624595772 /nfs/dbraw/zinc/59/57/72/624595772.db2.gz YPHZBVIDFBLILE-KSSFIOAISA-N 2 2 315.392 3.007 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572536 624595775 /nfs/dbraw/zinc/59/57/75/624595775.db2.gz YPHZBVIDFBLILE-KSSFIOAISA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572536 624595782 /nfs/dbraw/zinc/59/57/82/624595782.db2.gz YPHZBVIDFBLILE-KSSFIOAISA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@@H]21 ZINC000879572536 624595785 /nfs/dbraw/zinc/59/57/85/624595785.db2.gz YPHZBVIDFBLILE-KSSFIOAISA-N 2 2 315.392 3.007 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572534 624596432 /nfs/dbraw/zinc/59/64/32/624596432.db2.gz YPHZBVIDFBLILE-KBXCAEBGSA-N 2 2 315.392 3.007 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572534 624596437 /nfs/dbraw/zinc/59/64/37/624596437.db2.gz YPHZBVIDFBLILE-KBXCAEBGSA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572534 624596440 /nfs/dbraw/zinc/59/64/40/624596440.db2.gz YPHZBVIDFBLILE-KBXCAEBGSA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572534 624596446 /nfs/dbraw/zinc/59/64/46/624596446.db2.gz YPHZBVIDFBLILE-KBXCAEBGSA-N 2 2 315.392 3.007 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578598 624597148 /nfs/dbraw/zinc/59/71/48/624597148.db2.gz FPMIZAWBNYVQBF-RDTXWAMCSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578598 624597152 /nfs/dbraw/zinc/59/71/52/624597152.db2.gz FPMIZAWBNYVQBF-RDTXWAMCSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578598 624597158 /nfs/dbraw/zinc/59/71/58/624597158.db2.gz FPMIZAWBNYVQBF-RDTXWAMCSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578598 624597161 /nfs/dbraw/zinc/59/71/61/624597161.db2.gz FPMIZAWBNYVQBF-RDTXWAMCSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142730 624806548 /nfs/dbraw/zinc/80/65/48/624806548.db2.gz TXINDTFTTKXHEB-ROUUACIJSA-N 2 2 317.864 3.463 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142730 624806550 /nfs/dbraw/zinc/80/65/50/624806550.db2.gz TXINDTFTTKXHEB-ROUUACIJSA-N 2 2 317.864 3.463 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142730 624806552 /nfs/dbraw/zinc/80/65/52/624806552.db2.gz TXINDTFTTKXHEB-ROUUACIJSA-N 2 2 317.864 3.463 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142449 624806616 /nfs/dbraw/zinc/80/66/16/624806616.db2.gz OLIRHQKIWVGUDG-ZCNNSNEGSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142449 624806620 /nfs/dbraw/zinc/80/66/20/624806620.db2.gz OLIRHQKIWVGUDG-ZCNNSNEGSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142449 624806623 /nfs/dbraw/zinc/80/66/23/624806623.db2.gz OLIRHQKIWVGUDG-ZCNNSNEGSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142449 624806626 /nfs/dbraw/zinc/80/66/26/624806626.db2.gz OLIRHQKIWVGUDG-ZCNNSNEGSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142446 624806721 /nfs/dbraw/zinc/80/67/21/624806721.db2.gz OLIRHQKIWVGUDG-AABGKKOBSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142446 624806723 /nfs/dbraw/zinc/80/67/23/624806723.db2.gz OLIRHQKIWVGUDG-AABGKKOBSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142446 624806725 /nfs/dbraw/zinc/80/67/25/624806725.db2.gz OLIRHQKIWVGUDG-AABGKKOBSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142446 624806727 /nfs/dbraw/zinc/80/67/27/624806727.db2.gz OLIRHQKIWVGUDG-AABGKKOBSA-N 2 2 310.441 3.042 20 0 DGADLP C(=C/c1ccccc1)\CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206190 624840708 /nfs/dbraw/zinc/84/07/08/624840708.db2.gz CTLHQUIVCDMFJL-CWFIWJMMSA-N 2 2 314.473 3.323 20 0 DGADLP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206190 624840711 /nfs/dbraw/zinc/84/07/11/624840711.db2.gz CTLHQUIVCDMFJL-CWFIWJMMSA-N 2 2 314.473 3.323 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCOC1 ZINC000880469305 624963222 /nfs/dbraw/zinc/96/32/22/624963222.db2.gz JOZFVLIBWUWLBY-PKOBYXMFSA-N 2 2 313.445 3.476 20 0 DGADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000880568579 624979223 /nfs/dbraw/zinc/97/92/23/624979223.db2.gz AMRNRKZXJFKGJW-LJQANCHMSA-N 2 2 306.413 3.426 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571453 624980155 /nfs/dbraw/zinc/98/01/55/624980155.db2.gz PSSCPCBPKQUFIE-MRXNPFEDSA-N 2 2 312.442 3.222 20 0 DGADLP O[C@H](CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880570704 624980179 /nfs/dbraw/zinc/98/01/79/624980179.db2.gz ZMPJFOXBSYWDMZ-VQTJNVASSA-N 2 2 321.424 3.338 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000788507781 625201540 /nfs/dbraw/zinc/20/15/40/625201540.db2.gz OYCXIRIBDZCIBC-MRXNPFEDSA-N 2 2 313.405 3.071 20 0 DGADLP Clc1ccc2c(n1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000788555616 625216729 /nfs/dbraw/zinc/21/67/29/625216729.db2.gz BXKBUUFLLWCCOD-HNNXBMFYSA-N 2 2 305.853 3.186 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1CCOC2 ZINC000882910344 625854784 /nfs/dbraw/zinc/85/47/84/625854784.db2.gz QIEVGBPVLTWBEY-SFHVURJKSA-N 2 2 313.445 3.160 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccsc2S1 ZINC000130549029 625868547 /nfs/dbraw/zinc/86/85/47/625868547.db2.gz OHGHWVIBSJVNOR-JLNYLFASSA-N 2 2 324.515 3.126 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccsc2S1 ZINC000130549029 625868552 /nfs/dbraw/zinc/86/85/52/625868552.db2.gz OHGHWVIBSJVNOR-JLNYLFASSA-N 2 2 324.515 3.126 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000883084781 625921508 /nfs/dbraw/zinc/92/15/08/625921508.db2.gz BONCBECNRPIELV-HUUCEWRRSA-N 2 2 304.482 3.276 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000883084781 625921512 /nfs/dbraw/zinc/92/15/12/625921512.db2.gz BONCBECNRPIELV-HUUCEWRRSA-N 2 2 304.482 3.276 20 0 DGADLP C[NH+](C)C1CC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000883152984 625945749 /nfs/dbraw/zinc/94/57/49/625945749.db2.gz NSIFPXXMJNPUTI-UHFFFAOYSA-N 2 2 319.449 3.216 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166279 625949509 /nfs/dbraw/zinc/94/95/09/625949509.db2.gz WOIBSOYLANDFPB-RBUKOAKNSA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166279 625949516 /nfs/dbraw/zinc/94/95/16/625949516.db2.gz WOIBSOYLANDFPB-RBUKOAKNSA-N 2 2 320.452 3.367 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000796254489 626032832 /nfs/dbraw/zinc/03/28/32/626032832.db2.gz CSFFBMFRMKHWTN-ZDUSSCGKSA-N 2 2 319.474 3.454 20 0 DGADLP Cc1cccc(OCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000796259662 626033056 /nfs/dbraw/zinc/03/30/56/626033056.db2.gz XLVPSUIBEDDHAJ-UHFFFAOYSA-N 2 2 319.474 3.072 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)c[nH+]1 ZINC000798927677 626260459 /nfs/dbraw/zinc/26/04/59/626260459.db2.gz UUVFIZHLIRXDEU-SFHVURJKSA-N 2 2 304.397 3.435 20 0 DGADLP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)OC1 ZINC000883243146 626621509 /nfs/dbraw/zinc/62/15/09/626621509.db2.gz BVQHMXSQBKCLMS-CQSZACIVSA-N 2 2 322.415 3.198 20 0 DGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883387321 626668614 /nfs/dbraw/zinc/66/86/14/626668614.db2.gz VRIGBMCOMWEIKV-RBUKOAKNSA-N 2 2 313.445 3.419 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387183 626668631 /nfs/dbraw/zinc/66/86/31/626668631.db2.gz SOOOELJFIBAQLZ-ZWKOTPCHSA-N 2 2 301.434 3.275 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387291 626668644 /nfs/dbraw/zinc/66/86/44/626668644.db2.gz VFQDJRGEWHYJBJ-QZTJIDSGSA-N 2 2 301.434 3.419 20 0 DGADLP c1cn(C[C@H]([NH2+][C@@H]2CCC23CCOCC3)c2ccccc2)c[nH+]1 ZINC000883388274 626669287 /nfs/dbraw/zinc/66/92/87/626669287.db2.gz QSNRCPQXKHKQDX-ZWKOTPCHSA-N 2 2 311.429 3.173 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387826 626669728 /nfs/dbraw/zinc/66/97/28/626669728.db2.gz FYYRNDSNNQDVJY-GBESFXJTSA-N 2 2 313.445 3.419 20 0 DGADLP CC1(C)C[C@@H](C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883433745 626681447 /nfs/dbraw/zinc/68/14/47/626681447.db2.gz YCYYSWUNBBSHRP-BHYGNILZSA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@@H](C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883433745 626681451 /nfs/dbraw/zinc/68/14/51/626681451.db2.gz YCYYSWUNBBSHRP-BHYGNILZSA-N 2 2 320.452 3.146 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883460388 626686406 /nfs/dbraw/zinc/68/64/06/626686406.db2.gz WBAIFVYGJVOTML-UHFFFAOYSA-N 2 2 311.429 3.368 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883460388 626686409 /nfs/dbraw/zinc/68/64/09/626686409.db2.gz WBAIFVYGJVOTML-UHFFFAOYSA-N 2 2 311.429 3.368 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H](O)c1ccccc1 ZINC000808446904 626825325 /nfs/dbraw/zinc/82/53/25/626825325.db2.gz XLBJEPJWHIIUTC-DYVFJYSZSA-N 2 2 313.426 3.146 20 0 DGADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000884208439 626848877 /nfs/dbraw/zinc/84/88/77/626848877.db2.gz AEZPIKXPKQTKIL-CQSZACIVSA-N 2 2 300.406 3.025 20 0 DGADLP Cc1ccncc1CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000809611642 626925756 /nfs/dbraw/zinc/92/57/56/626925756.db2.gz JSTPIPWAJWYDJL-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccnc2Cl)cc1 ZINC000809737982 626944067 /nfs/dbraw/zinc/94/40/67/626944067.db2.gz ONNJOVGOJVYCAE-UHFFFAOYSA-N 2 2 303.837 3.429 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccnc2Cl)cc1 ZINC000809737982 626944068 /nfs/dbraw/zinc/94/40/68/626944068.db2.gz ONNJOVGOJVYCAE-UHFFFAOYSA-N 2 2 303.837 3.429 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)C2 ZINC000810171331 626984197 /nfs/dbraw/zinc/98/41/97/626984197.db2.gz HWAQVFUMCATKPN-MRXNPFEDSA-N 2 2 310.445 3.047 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)nc1 ZINC000810211383 626988237 /nfs/dbraw/zinc/98/82/37/626988237.db2.gz QMMDLVFXBWULBX-LBPRGKRZSA-N 2 2 323.238 3.172 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885903653 627058168 /nfs/dbraw/zinc/05/81/68/627058168.db2.gz URBHGXFZNPUPQQ-UHFFFAOYSA-N 2 2 312.404 3.295 20 0 DGADLP Cc1coc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000885941639 627065303 /nfs/dbraw/zinc/06/53/03/627065303.db2.gz DIXOVZHSBSLONG-MRXNPFEDSA-N 2 2 314.429 3.099 20 0 DGADLP Cc1coc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000885941639 627065305 /nfs/dbraw/zinc/06/53/05/627065305.db2.gz DIXOVZHSBSLONG-MRXNPFEDSA-N 2 2 314.429 3.099 20 0 DGADLP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(F)c1OC ZINC000886062691 627096957 /nfs/dbraw/zinc/09/69/57/627096957.db2.gz VBVKUIGRKQSGGC-CQSZACIVSA-N 2 2 324.440 3.197 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000886171207 627117241 /nfs/dbraw/zinc/11/72/41/627117241.db2.gz AHLLWYGILSHCKA-FUHWJXTLSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000886171207 627117243 /nfs/dbraw/zinc/11/72/43/627117243.db2.gz AHLLWYGILSHCKA-FUHWJXTLSA-N 2 2 306.494 3.475 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ncco1 ZINC000886272101 627128895 /nfs/dbraw/zinc/12/88/95/627128895.db2.gz GWWTUYUATMJUPX-CQSZACIVSA-N 2 2 314.433 3.060 20 0 DGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCc3cccnc31)C2 ZINC000886497031 627153172 /nfs/dbraw/zinc/15/31/72/627153172.db2.gz PGEMHEPKJJSBRH-IBGZPJMESA-N 2 2 307.441 3.107 20 0 DGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCc3cccnc31)C2 ZINC000886497031 627153173 /nfs/dbraw/zinc/15/31/73/627153173.db2.gz PGEMHEPKJJSBRH-IBGZPJMESA-N 2 2 307.441 3.107 20 0 DGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCc3cccnc31)C2 ZINC000886497032 627153190 /nfs/dbraw/zinc/15/31/90/627153190.db2.gz PGEMHEPKJJSBRH-LJQANCHMSA-N 2 2 307.441 3.107 20 0 DGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCc3cccnc31)C2 ZINC000886497032 627153191 /nfs/dbraw/zinc/15/31/91/627153191.db2.gz PGEMHEPKJJSBRH-LJQANCHMSA-N 2 2 307.441 3.107 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625662 627176151 /nfs/dbraw/zinc/17/61/51/627176151.db2.gz WVOIJPZFWZSBCL-KANFNMMFSA-N 2 2 324.472 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625662 627176153 /nfs/dbraw/zinc/17/61/53/627176153.db2.gz WVOIJPZFWZSBCL-KANFNMMFSA-N 2 2 324.472 3.124 20 0 DGADLP c1cn(C[C@H]([NH2+][C@@H]2CCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000886652100 627181378 /nfs/dbraw/zinc/18/13/78/627181378.db2.gz ZWTZDBRSMCRSPQ-MSOLQXFVSA-N 2 2 304.397 3.297 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3ncccc3Cl)CC2)[nH+]c1C ZINC000886659929 627182360 /nfs/dbraw/zinc/18/23/60/627182360.db2.gz YTBQGOYYXNRAKO-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886663193 627183786 /nfs/dbraw/zinc/18/37/86/627183786.db2.gz VQEMIZUPOPFPPZ-HNNXBMFYSA-N 2 2 321.465 3.326 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000886707407 627195655 /nfs/dbraw/zinc/19/56/55/627195655.db2.gz HJJMJUZCUGLKBX-UHFFFAOYSA-N 2 2 324.472 3.389 20 0 DGADLP CC[N@H+](C)[C@@H](C(=O)OCC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236514 627293427 /nfs/dbraw/zinc/29/34/27/627293427.db2.gz VRVRGHSKESDNRA-ZWKOTPCHSA-N 2 2 318.461 3.097 20 0 DGADLP CC[N@@H+](C)[C@@H](C(=O)OCC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236514 627293433 /nfs/dbraw/zinc/29/34/33/627293433.db2.gz VRVRGHSKESDNRA-ZWKOTPCHSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000840236514 627293436 /nfs/dbraw/zinc/29/34/36/627293436.db2.gz VRVRGHSKESDNRA-ZWKOTPCHSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@@H](C(=O)OCC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000840236514 627293439 /nfs/dbraw/zinc/29/34/39/627293439.db2.gz VRVRGHSKESDNRA-ZWKOTPCHSA-N 2 2 318.461 3.097 20 0 DGADLP CC[N@H+](C)[C@H](C(=O)OCC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236509 627296828 /nfs/dbraw/zinc/29/68/28/627296828.db2.gz VRVRGHSKESDNRA-MSOLQXFVSA-N 2 2 318.461 3.097 20 0 DGADLP CC[N@@H+](C)[C@H](C(=O)OCC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236509 627296831 /nfs/dbraw/zinc/29/68/31/627296831.db2.gz VRVRGHSKESDNRA-MSOLQXFVSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000840236509 627296834 /nfs/dbraw/zinc/29/68/34/627296834.db2.gz VRVRGHSKESDNRA-MSOLQXFVSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@H](C(=O)OCC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000840236509 627296835 /nfs/dbraw/zinc/29/68/35/627296835.db2.gz VRVRGHSKESDNRA-MSOLQXFVSA-N 2 2 318.461 3.097 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000812753318 627416758 /nfs/dbraw/zinc/41/67/58/627416758.db2.gz FSBDPKSNJCDHKD-UXHICEINSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000812753318 627416760 /nfs/dbraw/zinc/41/67/60/627416760.db2.gz FSBDPKSNJCDHKD-UXHICEINSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc[nH]1 ZINC000812840173 627427908 /nfs/dbraw/zinc/42/79/08/627427908.db2.gz FQFFANKXTLLKNB-HNNXBMFYSA-N 2 2 312.461 3.400 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924574376 627650494 /nfs/dbraw/zinc/65/04/94/627650494.db2.gz CZZYBYNGHUYLKT-SJLPKXTDSA-N 2 2 312.461 3.033 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924574376 627650499 /nfs/dbraw/zinc/65/04/99/627650499.db2.gz CZZYBYNGHUYLKT-SJLPKXTDSA-N 2 2 312.461 3.033 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)c1 ZINC000924605590 627656608 /nfs/dbraw/zinc/65/66/08/627656608.db2.gz WRWVMINLSYJZAN-PMACEKPBSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)c1 ZINC000924605590 627656610 /nfs/dbraw/zinc/65/66/10/627656610.db2.gz WRWVMINLSYJZAN-PMACEKPBSA-N 2 2 324.472 3.038 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(C2CCC2)c1 ZINC000924646584 627661939 /nfs/dbraw/zinc/66/19/39/627661939.db2.gz UXSGGNHQWDSTPM-AWEZNQCLSA-N 2 2 313.449 3.034 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924684609 627667450 /nfs/dbraw/zinc/66/74/50/627667450.db2.gz LLJCKJCKYPAVJH-IXDOHACOSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924684609 627667454 /nfs/dbraw/zinc/66/74/54/627667454.db2.gz LLJCKJCKYPAVJH-IXDOHACOSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Br)n1 ZINC000924733890 627675018 /nfs/dbraw/zinc/67/50/18/627675018.db2.gz WCCALKREBHRLRZ-LBPRGKRZSA-N 2 2 323.238 3.172 20 0 DGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808846 627682348 /nfs/dbraw/zinc/68/23/48/627682348.db2.gz WVYIFBJYGKOPJD-AEFFLSMTSA-N 2 2 301.434 3.292 20 0 DGADLP OCCC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925121993 627710642 /nfs/dbraw/zinc/71/06/42/627710642.db2.gz GQDZXXRUVJTSJX-OTWHNJEPSA-N 2 2 302.462 3.107 20 0 DGADLP OCCC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925121993 627710647 /nfs/dbraw/zinc/71/06/47/627710647.db2.gz GQDZXXRUVJTSJX-OTWHNJEPSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1(Cl)CC1 ZINC000925150690 627713468 /nfs/dbraw/zinc/71/34/68/627713468.db2.gz YXCKYKDWQOQDMX-CQSZACIVSA-N 2 2 321.896 3.471 20 0 DGADLP COc1ccnc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000925215434 627719929 /nfs/dbraw/zinc/71/99/29/627719929.db2.gz FOMRODPDHNGQNY-AWEZNQCLSA-N 2 2 303.450 3.148 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925267794 627726285 /nfs/dbraw/zinc/72/62/85/627726285.db2.gz GDMDVWNLRYMRJP-MTFMMBMASA-N 2 2 316.489 3.148 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925267794 627726289 /nfs/dbraw/zinc/72/62/89/627726289.db2.gz GDMDVWNLRYMRJP-MTFMMBMASA-N 2 2 316.489 3.148 20 0 DGADLP COc1ccc(CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000925480552 627740997 /nfs/dbraw/zinc/74/09/97/627740997.db2.gz WRISEBUKHNRLRZ-ACJLOTCBSA-N 2 2 302.393 3.055 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925508031 627744156 /nfs/dbraw/zinc/74/41/56/627744156.db2.gz CVDIURYMQDTSNN-PMACEKPBSA-N 2 2 324.472 3.130 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000925561966 627754745 /nfs/dbraw/zinc/75/47/45/627754745.db2.gz ULDTVHGFCWCENY-KSSFIOAISA-N 2 2 318.461 3.419 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C12CCC2 ZINC000925564908 627755102 /nfs/dbraw/zinc/75/51/02/627755102.db2.gz MUZMQSWDJCEVDR-CHWSQXEVSA-N 2 2 307.850 3.309 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000925565162 627755364 /nfs/dbraw/zinc/75/53/64/627755364.db2.gz PPTCMCOGDRTZQD-CJNGLKHVSA-N 2 2 303.475 3.487 20 0 DGADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000925569752 627756062 /nfs/dbraw/zinc/75/60/62/627756062.db2.gz SWGNAGOEVQQOTB-HUUCEWRRSA-N 3 2 316.424 3.007 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587923 627759377 /nfs/dbraw/zinc/75/93/77/627759377.db2.gz LIOOJSRNPGGGNK-SJORKVTESA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587923 627759379 /nfs/dbraw/zinc/75/93/79/627759379.db2.gz LIOOJSRNPGGGNK-SJORKVTESA-N 2 2 318.509 3.238 20 0 DGADLP c1ccc([C@@H](Cc2ccccn2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925641996 627768356 /nfs/dbraw/zinc/76/83/56/627768356.db2.gz FHDGXHAGHDKQOI-MOPGFXCFSA-N 2 2 307.441 3.240 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H]3CCC[NH2+][C@H]3C)ccc2n1C1CC1 ZINC000925663876 627773197 /nfs/dbraw/zinc/77/31/97/627773197.db2.gz AVUCQMCLQZHIIV-XJKSGUPXSA-N 2 2 312.461 3.164 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])OC)c1 ZINC000925720921 627781095 /nfs/dbraw/zinc/78/10/95/627781095.db2.gz KGEXUVZVBODGDK-CCKFTAQKSA-N 2 2 314.429 3.061 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000925740229 627785035 /nfs/dbraw/zinc/78/50/35/627785035.db2.gz GFOMJQWAHIHHDB-LLVKDONJSA-N 2 2 321.856 3.007 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(Cl)n1 ZINC000925763351 627790794 /nfs/dbraw/zinc/79/07/94/627790794.db2.gz BUQSNHSTTXRXTG-HOTGVXAUSA-N 2 2 307.869 3.301 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)F ZINC000925777209 627793890 /nfs/dbraw/zinc/79/38/90/627793890.db2.gz CGRVVNVIGJOBHU-GHMZBOCLSA-N 2 2 320.330 3.183 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000925784109 627794549 /nfs/dbraw/zinc/79/45/49/627794549.db2.gz HXNWVFAKBSTOLO-CFLQYTFWSA-N 2 2 321.424 3.362 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CCC2 ZINC000925792343 627796098 /nfs/dbraw/zinc/79/60/98/627796098.db2.gz AVASLOAKDNEKRL-HKUYNNGSSA-N 2 2 314.473 3.121 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CCC2 ZINC000925792344 627796193 /nfs/dbraw/zinc/79/61/93/627796193.db2.gz AVASLOAKDNEKRL-IEBWSBKVSA-N 2 2 314.473 3.121 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cnc2ccccc2c1)c1ccccc1 ZINC000925834458 627802701 /nfs/dbraw/zinc/80/27/01/627802701.db2.gz XHTUFWOIBWFLGJ-MGPUTAFESA-N 2 2 305.425 3.455 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCS[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000925861224 627807833 /nfs/dbraw/zinc/80/78/33/627807833.db2.gz OIMJQUAZKBYTGG-NZPGVSJUSA-N 2 2 320.502 3.362 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926164388 627853139 /nfs/dbraw/zinc/85/31/39/627853139.db2.gz LPHDPEWJKVZORP-NEPJUHHUSA-N 2 2 304.463 3.320 20 0 DGADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926164390 627853149 /nfs/dbraw/zinc/85/31/49/627853149.db2.gz LPHDPEWJKVZORP-NWDGAFQWSA-N 2 2 304.463 3.320 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)c1 ZINC000926448589 627897534 /nfs/dbraw/zinc/89/75/34/627897534.db2.gz AAVKEJOILMHRFT-UZLBHIALSA-N 2 2 318.424 3.350 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)CO ZINC000926496298 627904667 /nfs/dbraw/zinc/90/46/67/627904667.db2.gz ABPJOJKGOXZLRC-LBPRGKRZSA-N 2 2 307.825 3.022 20 0 DGADLP CC[C@H]1COC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496737 627904866 /nfs/dbraw/zinc/90/48/66/627904866.db2.gz LHKKKPIAAKZDQR-SWLSCSKDSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(C[NH+](C)C)c1 ZINC000926595034 627919761 /nfs/dbraw/zinc/91/97/61/627919761.db2.gz BFCZBUZBYGMZAZ-GFCCVEGCSA-N 2 2 316.474 3.328 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000817576740 627923155 /nfs/dbraw/zinc/92/31/55/627923155.db2.gz VWUYRGHPSDESAY-SJLPKXTDSA-N 2 2 312.461 3.230 20 0 DGADLP c1ccc2c(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000926690714 627933159 /nfs/dbraw/zinc/93/31/59/627933159.db2.gz UIDLPPHIAMETEM-VQTJNVASSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2c(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccnc2c1 ZINC000926690714 627933160 /nfs/dbraw/zinc/93/31/60/627933160.db2.gz UIDLPPHIAMETEM-VQTJNVASSA-N 2 2 309.457 3.384 20 0 DGADLP C([NH2+][C@H](C1CCC1)[C@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926745728 627945765 /nfs/dbraw/zinc/94/57/65/627945765.db2.gz PFAOWYUZTPNVRS-QXAKKESOSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@H](C1CCC1)[C@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926745728 627945766 /nfs/dbraw/zinc/94/57/66/627945766.db2.gz PFAOWYUZTPNVRS-QXAKKESOSA-N 2 2 306.494 3.188 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926789841 627954515 /nfs/dbraw/zinc/95/45/15/627954515.db2.gz KSBMCJDQYKRMML-NMLBUPMWSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926789841 627954517 /nfs/dbraw/zinc/95/45/17/627954517.db2.gz KSBMCJDQYKRMML-NMLBUPMWSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817904090 627956703 /nfs/dbraw/zinc/95/67/03/627956703.db2.gz SXRGRNOQDYPWIO-DZGCQCFKSA-N 2 2 318.440 3.113 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817906047 627958846 /nfs/dbraw/zinc/95/88/46/627958846.db2.gz SHNFIQDFBHOMAY-SWHYSGLUSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817924812 627963170 /nfs/dbraw/zinc/96/31/70/627963170.db2.gz KAJKLDRQTQZXRX-XPGWFJOJSA-N 2 2 310.441 3.117 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCOC12CCCCC2)c1cccnc1 ZINC000926902059 627975204 /nfs/dbraw/zinc/97/52/04/627975204.db2.gz UOKCHEPKCXDOME-QZTJIDSGSA-N 2 2 317.477 3.156 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817967019 627977565 /nfs/dbraw/zinc/97/75/65/627977565.db2.gz CIVBWVOAKHDKIU-VYUIOLGVSA-N 2 2 302.249 3.224 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959250 627989652 /nfs/dbraw/zinc/98/96/52/627989652.db2.gz QVNCHALJELOYRR-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959250 627989655 /nfs/dbraw/zinc/98/96/55/627989655.db2.gz QVNCHALJELOYRR-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)o1 ZINC000926969173 627991717 /nfs/dbraw/zinc/99/17/17/627991717.db2.gz DQJJJBKBVFIKFQ-SJORKVTESA-N 2 2 313.445 3.285 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)o1 ZINC000926969173 627991722 /nfs/dbraw/zinc/99/17/22/627991722.db2.gz DQJJJBKBVFIKFQ-SJORKVTESA-N 2 2 313.445 3.285 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000818229883 628007246 /nfs/dbraw/zinc/00/72/46/628007246.db2.gz GLNJLMBNOWJLGI-VQTJNVASSA-N 2 2 313.489 3.500 20 0 DGADLP c1ccc(N2CCC([NH2+]CC[C@H]3CCC4(CCC4)O3)CC2)[nH+]c1 ZINC000927127485 628022389 /nfs/dbraw/zinc/02/23/89/628022389.db2.gz HSVLQJFACGVVHK-QGZVFWFLSA-N 2 2 315.461 3.132 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)C2CC2)CCCC1)c1ccccc1 ZINC000819066081 628085874 /nfs/dbraw/zinc/08/58/74/628085874.db2.gz TWOUTGQBWKZGTL-CRAIPNDOSA-N 2 2 302.462 3.011 20 0 DGADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1cccc2ccccc21 ZINC000819081857 628089007 /nfs/dbraw/zinc/08/90/07/628089007.db2.gz SVYMISKWKCLJMH-IBGZPJMESA-N 2 2 321.424 3.360 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000823495273 628569071 /nfs/dbraw/zinc/56/90/71/628569071.db2.gz CSRBCQSSWIVTEV-ALXJQNPVSA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnc(Cl)c1F ZINC000823684621 628586689 /nfs/dbraw/zinc/58/66/89/628586689.db2.gz YKOFCBNKIJEGRP-LBPRGKRZSA-N 2 2 310.804 3.275 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccnc(Cl)c1F)C(C)(C)C ZINC000823860242 628603281 /nfs/dbraw/zinc/60/32/81/628603281.db2.gz AYWCAGXWMPLFAE-LBPRGKRZSA-N 2 2 301.837 3.330 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000824028168 628620085 /nfs/dbraw/zinc/62/00/85/628620085.db2.gz ZNLAWUHZPJHILM-ZDUSSCGKSA-N 2 2 313.848 3.332 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000824028168 628620090 /nfs/dbraw/zinc/62/00/90/628620090.db2.gz ZNLAWUHZPJHILM-ZDUSSCGKSA-N 2 2 313.848 3.332 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccncc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000824332506 628651901 /nfs/dbraw/zinc/65/19/01/628651901.db2.gz OENPRCHNNPYNJW-LJQANCHMSA-N 2 2 313.420 3.223 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccncc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332506 628651902 /nfs/dbraw/zinc/65/19/02/628651902.db2.gz OENPRCHNNPYNJW-LJQANCHMSA-N 2 2 313.420 3.223 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826926876 628904477 /nfs/dbraw/zinc/90/44/77/628904477.db2.gz PNGIUELSVZGVKL-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826926876 628904478 /nfs/dbraw/zinc/90/44/78/628904478.db2.gz PNGIUELSVZGVKL-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP CC(C)CC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000827965296 629009276 /nfs/dbraw/zinc/00/92/76/629009276.db2.gz WGNJKPJNAUKSMD-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000827965296 629009279 /nfs/dbraw/zinc/00/92/79/629009279.db2.gz WGNJKPJNAUKSMD-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000827965296 629009280 /nfs/dbraw/zinc/00/92/80/629009280.db2.gz WGNJKPJNAUKSMD-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000827965296 629009284 /nfs/dbraw/zinc/00/92/84/629009284.db2.gz WGNJKPJNAUKSMD-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP Fc1ccccc1COc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000841042602 630401422 /nfs/dbraw/zinc/40/14/22/630401422.db2.gz LOJCVMZVFSIUAY-QGZVFWFLSA-N 2 2 314.404 3.246 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1Cl ZINC000843050921 630608134 /nfs/dbraw/zinc/60/81/34/630608134.db2.gz BKZLWQGZTQSIQK-OCCSQVGLSA-N 2 2 312.889 3.204 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1Cl ZINC000843050921 630608136 /nfs/dbraw/zinc/60/81/36/630608136.db2.gz BKZLWQGZTQSIQK-OCCSQVGLSA-N 2 2 312.889 3.204 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843058518 630609819 /nfs/dbraw/zinc/60/98/19/630609819.db2.gz VAWIEMBQDRADEQ-OCCSQVGLSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843058518 630609821 /nfs/dbraw/zinc/60/98/21/630609821.db2.gz VAWIEMBQDRADEQ-OCCSQVGLSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843115683 630614978 /nfs/dbraw/zinc/61/49/78/630614978.db2.gz IROWMKXCFYPIOW-KRWDZBQOSA-N 2 2 318.852 3.005 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843115683 630614981 /nfs/dbraw/zinc/61/49/81/630614981.db2.gz IROWMKXCFYPIOW-KRWDZBQOSA-N 2 2 318.852 3.005 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)c2)[nH+]c1C ZINC000844176530 630711575 /nfs/dbraw/zinc/71/15/75/630711575.db2.gz SVBLXYZZCIXYBH-BZNIZROVSA-N 2 2 312.417 3.020 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@](C)(O)c1ccccc1 ZINC000846041202 631207732 /nfs/dbraw/zinc/20/77/32/631207732.db2.gz YSRYDDLXRUGTJU-OXJNMPFZSA-N 2 2 321.424 3.258 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000846144918 631211883 /nfs/dbraw/zinc/21/18/83/631211883.db2.gz KVFCOCSQAFYJPR-QYZOEREBSA-N 2 2 320.452 3.366 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000846144918 631211884 /nfs/dbraw/zinc/21/18/84/631211884.db2.gz KVFCOCSQAFYJPR-QYZOEREBSA-N 2 2 320.452 3.366 20 0 DGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000846220566 631215643 /nfs/dbraw/zinc/21/56/43/631215643.db2.gz LCJOLIBSLCVJOD-MRXNPFEDSA-N 2 2 314.832 3.372 20 0 DGADLP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000846220566 631215644 /nfs/dbraw/zinc/21/56/44/631215644.db2.gz LCJOLIBSLCVJOD-MRXNPFEDSA-N 2 2 314.832 3.372 20 0 DGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000846220565 631215722 /nfs/dbraw/zinc/21/57/22/631215722.db2.gz LCJOLIBSLCVJOD-INIZCTEOSA-N 2 2 314.832 3.372 20 0 DGADLP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000846220565 631215723 /nfs/dbraw/zinc/21/57/23/631215723.db2.gz LCJOLIBSLCVJOD-INIZCTEOSA-N 2 2 314.832 3.372 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000848575442 631701021 /nfs/dbraw/zinc/70/10/21/631701021.db2.gz QQLGXSCJTMJIBO-SJORKVTESA-N 2 2 318.461 3.119 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000848575442 631701025 /nfs/dbraw/zinc/70/10/25/631701025.db2.gz QQLGXSCJTMJIBO-SJORKVTESA-N 2 2 318.461 3.119 20 0 DGADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599968 631704809 /nfs/dbraw/zinc/70/48/09/631704809.db2.gz VKNNAJMWOSQBPK-SNVBAGLBSA-N 2 2 310.228 3.322 20 0 DGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599968 631704812 /nfs/dbraw/zinc/70/48/12/631704812.db2.gz VKNNAJMWOSQBPK-SNVBAGLBSA-N 2 2 310.228 3.322 20 0 DGADLP [NH2+]=C(NCCCCn1cc[nH+]c1)Nc1cccc2c1CCCC2 ZINC000848995549 631801398 /nfs/dbraw/zinc/80/13/98/631801398.db2.gz PYRDBFIKCKENOE-UHFFFAOYSA-N 2 2 311.433 3.179 20 0 DGADLP CCc1ccc([C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000849057633 631822599 /nfs/dbraw/zinc/82/25/99/631822599.db2.gz QAXOKPKUZDWQOI-YJBOKZPZSA-N 2 2 316.493 3.108 20 0 DGADLP CCc1cccc(NC(=[NH2+])NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000849091902 631832604 /nfs/dbraw/zinc/83/26/04/631832604.db2.gz PEJOUQVFAKDHMR-UHFFFAOYSA-N 2 2 321.428 3.384 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cncc3ccccc32)cc1 ZINC000849350301 631900954 /nfs/dbraw/zinc/90/09/54/631900954.db2.gz XCVGULLWQGLMDM-NHCUHLMSSA-N 2 2 317.436 3.470 20 0 DGADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000850439136 632153706 /nfs/dbraw/zinc/15/37/06/632153706.db2.gz GGROWYCQIWSMSQ-KSSFIOAISA-N 2 2 320.502 3.100 20 0 DGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850555881 632192088 /nfs/dbraw/zinc/19/20/88/632192088.db2.gz CVHBZIRUVXYPFU-UXHICEINSA-N 2 2 316.489 3.097 20 0 DGADLP ClC1(Cl)C[C@@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852115191 632557292 /nfs/dbraw/zinc/55/72/92/632557292.db2.gz MVQVMQRVDBXURQ-CQSZACIVSA-N 2 2 313.272 3.434 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1O ZINC000184837595 660189777 /nfs/dbraw/zinc/18/97/77/660189777.db2.gz AFEIUAMNPBRJPF-LLVKDONJSA-N 2 2 324.222 3.092 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000090721109 655678937 /nfs/dbraw/zinc/67/89/37/655678937.db2.gz BTGZAEZQJUVIQH-QWRGUYRKSA-N 2 2 304.406 3.308 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000090721109 655678938 /nfs/dbraw/zinc/67/89/38/655678938.db2.gz BTGZAEZQJUVIQH-QWRGUYRKSA-N 2 2 304.406 3.308 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933819303 655734457 /nfs/dbraw/zinc/73/44/57/655734457.db2.gz NUFLGNJSRYUTDP-UHFFFAOYSA-N 2 2 306.413 3.233 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933819303 655734459 /nfs/dbraw/zinc/73/44/59/655734459.db2.gz NUFLGNJSRYUTDP-UHFFFAOYSA-N 2 2 306.413 3.233 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000052441107 655816560 /nfs/dbraw/zinc/81/65/60/655816560.db2.gz RNSYNZYVUZPHAM-MRXNPFEDSA-N 2 2 321.896 3.114 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000178053554 655953601 /nfs/dbraw/zinc/95/36/01/655953601.db2.gz PRCVOKPHCSSEMP-JKSUJKDBSA-N 2 2 301.434 3.139 20 0 DGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000328400255 656059150 /nfs/dbraw/zinc/05/91/50/656059150.db2.gz DOFYZZRPHXUEBP-JAVISRFCSA-N 2 2 300.446 3.121 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001027501081 656320096 /nfs/dbraw/zinc/32/00/96/656320096.db2.gz RENTVBVVMARDOU-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001027501081 656320098 /nfs/dbraw/zinc/32/00/98/656320098.db2.gz RENTVBVVMARDOU-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000981236305 656655627 /nfs/dbraw/zinc/65/56/27/656655627.db2.gz UXGCFQIFSOAALA-HOTGVXAUSA-N 2 2 303.450 3.046 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262312620 657503075 /nfs/dbraw/zinc/50/30/75/657503075.db2.gz PYSBJGMCBQIDDI-XUJVJEKNSA-N 2 2 316.367 3.123 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253177180 657659411 /nfs/dbraw/zinc/65/94/11/657659411.db2.gz AUJZHAFBXCCIBY-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253177180 657659416 /nfs/dbraw/zinc/65/94/16/657659416.db2.gz AUJZHAFBXCCIBY-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228292 658102059 /nfs/dbraw/zinc/10/20/59/658102059.db2.gz RLYQLXCZARWYPM-ZYSHUDEJSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228292 658102064 /nfs/dbraw/zinc/10/20/64/658102064.db2.gz RLYQLXCZARWYPM-ZYSHUDEJSA-N 2 2 316.489 3.498 20 0 DGADLP COc1c(C)c[nH+]c(CN2C[C@H](CC[NH3+])c3ccccc32)c1C ZINC000321340140 658166596 /nfs/dbraw/zinc/16/65/96/658166596.db2.gz IPHQSYQKWKDJGX-HNNXBMFYSA-N 2 2 311.429 3.160 20 0 DGADLP CCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001037893543 658502000 /nfs/dbraw/zinc/50/20/00/658502000.db2.gz QRJMHJYEHKPVFC-DLBZAZTESA-N 2 2 317.477 3.247 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929690332 661328621 /nfs/dbraw/zinc/32/86/21/661328621.db2.gz PFAQESSELBUCOZ-KFWWJZLASA-N 2 2 320.399 3.047 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929690332 661328623 /nfs/dbraw/zinc/32/86/23/661328623.db2.gz PFAQESSELBUCOZ-KFWWJZLASA-N 2 2 320.399 3.047 20 0 DGADLP Cc1[nH]c(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000929762968 661335669 /nfs/dbraw/zinc/33/56/69/661335669.db2.gz AINMFCMUGARFEI-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000929762968 661335671 /nfs/dbraw/zinc/33/56/71/661335671.db2.gz AINMFCMUGARFEI-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cnc(-c3ccccc3)o1)CC2 ZINC000930170800 661373284 /nfs/dbraw/zinc/37/32/84/661373284.db2.gz GKYDGPLRPRULPN-UHFFFAOYSA-N 2 2 311.429 3.402 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1cnc(-c3ccccc3)o1)CC2 ZINC000930170800 661373285 /nfs/dbraw/zinc/37/32/85/661373285.db2.gz GKYDGPLRPRULPN-UHFFFAOYSA-N 2 2 311.429 3.402 20 0 DGADLP CCCC[N@H+](Cc1nccn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034043 661447140 /nfs/dbraw/zinc/44/71/40/661447140.db2.gz WWLIPHWZFDDNON-UHFFFAOYSA-N 2 2 306.498 3.331 20 0 DGADLP CCCC[N@@H+](Cc1nccn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034043 661447142 /nfs/dbraw/zinc/44/71/42/661447142.db2.gz WWLIPHWZFDDNON-UHFFFAOYSA-N 2 2 306.498 3.331 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)c[nH+]1 ZINC000931371216 661471106 /nfs/dbraw/zinc/47/11/06/661471106.db2.gz WBFZSXUCSAHONW-OAHLLOKOSA-N 2 2 309.417 3.029 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)c[nH+]1 ZINC000931371216 661471109 /nfs/dbraw/zinc/47/11/09/661471109.db2.gz WBFZSXUCSAHONW-OAHLLOKOSA-N 2 2 309.417 3.029 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cs2)o1 ZINC000931433193 661476238 /nfs/dbraw/zinc/47/62/38/661476238.db2.gz RYKVBYFPWAYMLI-KGLIPLIRSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cs2)o1 ZINC000931433193 661476241 /nfs/dbraw/zinc/47/62/41/661476241.db2.gz RYKVBYFPWAYMLI-KGLIPLIRSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cs2)o1 ZINC000931433193 661476244 /nfs/dbraw/zinc/47/62/44/661476244.db2.gz RYKVBYFPWAYMLI-KGLIPLIRSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cs2)o1 ZINC000931433193 661476247 /nfs/dbraw/zinc/47/62/47/661476247.db2.gz RYKVBYFPWAYMLI-KGLIPLIRSA-N 2 2 317.458 3.095 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCSc2ccncc2)CC1 ZINC000931752496 661505452 /nfs/dbraw/zinc/50/54/52/661505452.db2.gz NEOSLTCFUBXBQM-UHFFFAOYSA-N 2 2 305.491 3.124 20 0 DGADLP c1cn(CCC[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c[nH+]1 ZINC000932619707 661586909 /nfs/dbraw/zinc/58/69/09/661586909.db2.gz SDLSVEIDZDQGGC-UHFFFAOYSA-N 2 2 316.474 3.098 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)on2)cc1 ZINC000933746562 661655123 /nfs/dbraw/zinc/65/51/23/661655123.db2.gz WYPBZIILXXOUHF-APWZRJJASA-N 2 2 311.429 3.034 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)on2)cc1 ZINC000933746562 661655125 /nfs/dbraw/zinc/65/51/25/661655125.db2.gz WYPBZIILXXOUHF-APWZRJJASA-N 2 2 311.429 3.034 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)on2)cc1 ZINC000933746562 661655129 /nfs/dbraw/zinc/65/51/29/661655129.db2.gz WYPBZIILXXOUHF-APWZRJJASA-N 2 2 311.429 3.034 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)on2)cc1 ZINC000933746562 661655130 /nfs/dbraw/zinc/65/51/30/661655130.db2.gz WYPBZIILXXOUHF-APWZRJJASA-N 2 2 311.429 3.034 20 0 DGADLP CCC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000190282024 662026112 /nfs/dbraw/zinc/02/61/12/662026112.db2.gz SGUZESSWGLWVFD-UYAOXDASSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000190282024 662026113 /nfs/dbraw/zinc/02/61/13/662026113.db2.gz SGUZESSWGLWVFD-UYAOXDASSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000190282024 662026114 /nfs/dbraw/zinc/02/61/14/662026114.db2.gz SGUZESSWGLWVFD-UYAOXDASSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190282024 662026115 /nfs/dbraw/zinc/02/61/15/662026115.db2.gz SGUZESSWGLWVFD-UYAOXDASSA-N 2 2 314.473 3.342 20 0 DGADLP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC000192674277 662107644 /nfs/dbraw/zinc/10/76/44/662107644.db2.gz ZGTIZHORTMBQBY-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP Clc1cccc(C[NH2+]CCn2cc[nH+]c2)c1Br ZINC000719388544 662280783 /nfs/dbraw/zinc/28/07/83/662280783.db2.gz ATTCRGFQDPNVLW-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000378883468 685145527 /nfs/dbraw/zinc/14/55/27/685145527.db2.gz JPWVXHRMQZXTQT-KRWDZBQOSA-N 2 2 301.478 3.119 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccc(C(F)(F)F)c1 ZINC000392938409 685215761 /nfs/dbraw/zinc/21/57/61/685215761.db2.gz YFVNDNRVSYNLSO-QBHINQIDSA-N 2 2 310.363 3.352 20 0 DGADLP Cc1cnc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000394706679 685223232 /nfs/dbraw/zinc/22/32/32/685223232.db2.gz NOBUZMIQUNSUCU-SFHVURJKSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1cnc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394706679 685223247 /nfs/dbraw/zinc/22/32/47/685223247.db2.gz NOBUZMIQUNSUCU-SFHVURJKSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398118889 685234989 /nfs/dbraw/zinc/23/49/89/685234989.db2.gz GPGRYOGXQBPSDU-RDTXWAMCSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000398118889 685234994 /nfs/dbraw/zinc/23/49/94/685234994.db2.gz GPGRYOGXQBPSDU-RDTXWAMCSA-N 2 2 315.486 3.452 20 0 DGADLP CCOCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC001578122021 1191927245 /nfs/dbraw/zinc/92/72/45/1191927245.db2.gz IYDSSFRIAARYTL-RTBURBONSA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC001578122021 1191927248 /nfs/dbraw/zinc/92/72/48/1191927248.db2.gz IYDSSFRIAARYTL-RTBURBONSA-N 2 2 318.461 3.166 20 0 DGADLP CO[C@H](C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909058 1191961056 /nfs/dbraw/zinc/96/10/56/1191961056.db2.gz PCJHPLWALUOKQD-MSOLQXFVSA-N 2 2 306.425 3.121 20 0 DGADLP CO[C@H](C[N@H+]1CCCC[C@@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909058 1191961058 /nfs/dbraw/zinc/96/10/58/1191961058.db2.gz PCJHPLWALUOKQD-MSOLQXFVSA-N 2 2 306.425 3.121 20 0 DGADLP Cc1cc(N(CC[NH3+])CCc2ccccc2)nc(C2CCC2)[nH+]1 ZINC001579618656 1191982851 /nfs/dbraw/zinc/98/28/51/1191982851.db2.gz RIWQRLLVLDDLQK-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cc1 ZINC001579669387 1191985665 /nfs/dbraw/zinc/98/56/65/1191985665.db2.gz QJAMTUAIMPEJPQ-GOSISDBHSA-N 2 2 320.396 3.128 20 0 DGADLP Cc1ncsc1CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001579888372 1191998430 /nfs/dbraw/zinc/99/84/30/1191998430.db2.gz TXPPGFSGYRGPDB-IAGOWNOFSA-N 2 2 315.486 3.119 20 0 DGADLP [NH3+][C@H](C[N@@H+]1CCC[C@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127591 1192008767 /nfs/dbraw/zinc/00/87/67/1192008767.db2.gz MOIRJLRWRBLBDK-GJZGRUSLSA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+][C@H](C[N@H+]1CCC[C@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127591 1192008770 /nfs/dbraw/zinc/00/87/70/1192008770.db2.gz MOIRJLRWRBLBDK-GJZGRUSLSA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C12CCC2 ZINC001580162693 1192011064 /nfs/dbraw/zinc/01/10/64/1192011064.db2.gz DCCCCBPETABUGH-LSDHHAIUSA-N 2 2 317.433 3.309 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001620678702 1192063554 /nfs/dbraw/zinc/06/35/54/1192063554.db2.gz GUDXEZWUMNJKFQ-UHFFFAOYSA-N 2 2 321.371 3.401 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]C/C=C\c2ccc(F)cc2F)C[C@@H](C)O1 ZINC001620705831 1192070654 /nfs/dbraw/zinc/07/06/54/1192070654.db2.gz ZXCZIKDWHJINLP-OGCZOTBESA-N 2 2 324.415 3.067 20 0 DGADLP CCn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001620810934 1192105631 /nfs/dbraw/zinc/10/56/31/1192105631.db2.gz GYNCPXFZZSBNON-RHSMWYFYSA-N 2 2 318.490 3.137 20 0 DGADLP CCn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC001620810934 1192105632 /nfs/dbraw/zinc/10/56/32/1192105632.db2.gz GYNCPXFZZSBNON-RHSMWYFYSA-N 2 2 318.490 3.137 20 0 DGADLP CCn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001620810936 1192106266 /nfs/dbraw/zinc/10/62/66/1192106266.db2.gz GYNCPXFZZSBNON-YOEHRIQHSA-N 2 2 318.490 3.137 20 0 DGADLP CCn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC001620810936 1192106268 /nfs/dbraw/zinc/10/62/68/1192106268.db2.gz GYNCPXFZZSBNON-YOEHRIQHSA-N 2 2 318.490 3.137 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1)[NH+]1CCCCC1 ZINC001620897937 1192563134 /nfs/dbraw/zinc/56/31/34/1192563134.db2.gz CEBWAEHYDQYNOS-MRXNPFEDSA-N 2 2 312.461 3.431 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CCC1 ZINC001691187392 1176370492 /nfs/dbraw/zinc/37/04/92/1176370492.db2.gz GTQWZCVUAICHQI-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CCC1 ZINC001691187392 1176370502 /nfs/dbraw/zinc/37/05/02/1176370502.db2.gz GTQWZCVUAICHQI-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1F)CC(C)(C)C[NH3+] ZINC000394774621 1176753181 /nfs/dbraw/zinc/75/31/81/1176753181.db2.gz NQOLVSTXUCYCNI-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1F)CC(C)(C)C[NH3+] ZINC000394774621 1176753188 /nfs/dbraw/zinc/75/31/88/1176753188.db2.gz NQOLVSTXUCYCNI-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001755596501 1177084596 /nfs/dbraw/zinc/08/45/96/1177084596.db2.gz JODNFMXZQROGNE-HNNXBMFYSA-N 2 2 305.466 3.103 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109379 1178136872 /nfs/dbraw/zinc/13/68/72/1178136872.db2.gz KYNAMHQDJOYOMB-JKSUJKDBSA-N 2 2 319.493 3.268 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109379 1178136878 /nfs/dbraw/zinc/13/68/78/1178136878.db2.gz KYNAMHQDJOYOMB-JKSUJKDBSA-N 2 2 319.493 3.268 20 0 DGADLP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001332076069 1178351101 /nfs/dbraw/zinc/35/11/01/1178351101.db2.gz AJLJDNDMORAWDF-INIZCTEOSA-N 2 2 314.433 3.266 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001333021087 1178541858 /nfs/dbraw/zinc/54/18/58/1178541858.db2.gz BORAPXXRSWMQSH-JKSUJKDBSA-N 2 2 305.466 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001333021087 1178541863 /nfs/dbraw/zinc/54/18/63/1178541863.db2.gz BORAPXXRSWMQSH-JKSUJKDBSA-N 2 2 305.466 3.022 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC(F)F)CC2)cc1 ZINC001334039381 1178710684 /nfs/dbraw/zinc/71/06/84/1178710684.db2.gz KZOQGINMRMKEIO-UHFFFAOYSA-N 2 2 311.420 3.356 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001334903514 1178826252 /nfs/dbraw/zinc/82/62/52/1178826252.db2.gz ZETNPZOAMLXWOX-UHFFFAOYSA-N 2 2 314.429 3.385 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001334903514 1178826258 /nfs/dbraw/zinc/82/62/58/1178826258.db2.gz ZETNPZOAMLXWOX-UHFFFAOYSA-N 2 2 314.429 3.385 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335766142 1178951502 /nfs/dbraw/zinc/95/15/02/1178951502.db2.gz UZNXUPNQJCFPHX-DYEKYZERSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001335766142 1178951506 /nfs/dbraw/zinc/95/15/06/1178951506.db2.gz UZNXUPNQJCFPHX-DYEKYZERSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCC(F)(F)F ZINC001341619052 1179038876 /nfs/dbraw/zinc/03/88/76/1179038876.db2.gz ZAORYWNKEVLZFW-UHFFFAOYSA-N 2 2 312.295 3.247 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](F)Cc1ccccc1 ZINC001341910106 1179080423 /nfs/dbraw/zinc/08/04/23/1179080423.db2.gz PMSLMZCMWUAXBQ-HNNXBMFYSA-N 2 2 324.359 3.095 20 0 DGADLP CCc1onc(C)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC001342961159 1179217466 /nfs/dbraw/zinc/21/74/66/1179217466.db2.gz QFDJKEIEFOSYJG-UHFFFAOYSA-N 2 2 305.397 3.036 20 0 DGADLP CCc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083316 1179649571 /nfs/dbraw/zinc/64/95/71/1179649571.db2.gz GYAVKJAEKXWNFO-MAUKXSAKSA-N 2 2 314.408 3.344 20 0 DGADLP CCc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083316 1179649575 /nfs/dbraw/zinc/64/95/75/1179649575.db2.gz GYAVKJAEKXWNFO-MAUKXSAKSA-N 2 2 314.408 3.344 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001346155575 1179663463 /nfs/dbraw/zinc/66/34/63/1179663463.db2.gz GDYMLZVZDCRCIH-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001346155575 1179663466 /nfs/dbraw/zinc/66/34/66/1179663466.db2.gz GDYMLZVZDCRCIH-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC[NH+](CC)CC[C@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC001348659360 1179844232 /nfs/dbraw/zinc/84/42/32/1179844232.db2.gz QHJOZLKMIMGLMA-ZDUSSCGKSA-N 2 2 318.469 3.114 20 0 DGADLP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522506 1180759796 /nfs/dbraw/zinc/75/97/96/1180759796.db2.gz RFPJOMGTUCJMGC-AXOLYNHLSA-N 2 2 317.477 3.151 20 0 DGADLP CC(C)CC[C@H](O)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001356532471 1181210308 /nfs/dbraw/zinc/21/03/08/1181210308.db2.gz KNXNELCOJMSAEX-ROUUACIJSA-N 2 2 315.461 3.091 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001414059953 1181596337 /nfs/dbraw/zinc/59/63/37/1181596337.db2.gz OWWIWSUHWYPKDL-HNNXBMFYSA-N 2 2 314.433 3.118 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001414059953 1181596341 /nfs/dbraw/zinc/59/63/41/1181596341.db2.gz OWWIWSUHWYPKDL-HNNXBMFYSA-N 2 2 314.433 3.118 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459939702 1182631076 /nfs/dbraw/zinc/63/10/76/1182631076.db2.gz UYEMHSXPJQYFOM-JSGCOSHPSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459939702 1182631080 /nfs/dbraw/zinc/63/10/80/1182631080.db2.gz UYEMHSXPJQYFOM-JSGCOSHPSA-N 2 2 324.900 3.125 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001460994164 1182753459 /nfs/dbraw/zinc/75/34/59/1182753459.db2.gz FWHOIBIWGIQPPK-IBGZPJMESA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001460994164 1182753462 /nfs/dbraw/zinc/75/34/62/1182753462.db2.gz FWHOIBIWGIQPPK-IBGZPJMESA-N 2 2 302.462 3.010 20 0 DGADLP Brc1c2ccccc2oc1C[NH2+]CCn1cc[nH+]c1 ZINC001460996904 1182753636 /nfs/dbraw/zinc/75/36/36/1182753636.db2.gz HNPKIMCCAUXYLK-UHFFFAOYSA-N 2 2 320.190 3.182 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+]CCCn1cc[nH+]c1 ZINC001461002748 1182754301 /nfs/dbraw/zinc/75/43/01/1182754301.db2.gz ASCBNQWMUKRRKC-UHFFFAOYSA-N 2 2 302.403 3.088 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001461014009 1182756136 /nfs/dbraw/zinc/75/61/36/1182756136.db2.gz QDCNLENLYPCESH-GASCZTMLSA-N 2 2 322.493 3.474 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001461014009 1182756141 /nfs/dbraw/zinc/75/61/41/1182756141.db2.gz QDCNLENLYPCESH-GASCZTMLSA-N 2 2 322.493 3.474 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)cnc12 ZINC001461085517 1182764923 /nfs/dbraw/zinc/76/49/23/1182764923.db2.gz HIYWPKHQZHCIDC-MRXNPFEDSA-N 2 2 311.433 3.044 20 0 DGADLP Cc1noc2ncc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cc12 ZINC001461106050 1182767667 /nfs/dbraw/zinc/76/76/67/1182767667.db2.gz LQMDEEOHRQLIRZ-UHFFFAOYSA-N 2 2 319.368 3.007 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001461178762 1182777249 /nfs/dbraw/zinc/77/72/49/1182777249.db2.gz HNNPIGVGRNVBBA-QGZVFWFLSA-N 2 2 304.478 3.264 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001461178762 1182777255 /nfs/dbraw/zinc/77/72/55/1182777255.db2.gz HNNPIGVGRNVBBA-QGZVFWFLSA-N 2 2 304.478 3.264 20 0 DGADLP Fc1cccc2cc(C[NH2+]CCCNc3cccc[nH+]3)cnc12 ZINC001461264800 1182789958 /nfs/dbraw/zinc/78/99/58/1182789958.db2.gz QIGBGFUYSMKUBX-UHFFFAOYSA-N 2 2 310.376 3.361 20 0 DGADLP c1[nH]c(C[NH2+]Cc2ccc3c[nH+]cn3c2)nc1-c1ccccc1 ZINC001461564304 1182829223 /nfs/dbraw/zinc/82/92/23/1182829223.db2.gz FNZOKNBWYPWFHG-UHFFFAOYSA-N 2 2 303.369 3.014 20 0 DGADLP CCc1cc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001472720142 1183672575 /nfs/dbraw/zinc/67/25/75/1183672575.db2.gz FEHRKBZTZBNZTF-IBGZPJMESA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001472720142 1183672583 /nfs/dbraw/zinc/67/25/83/1183672583.db2.gz FEHRKBZTZBNZTF-IBGZPJMESA-N 2 2 324.472 3.448 20 0 DGADLP CC[C@H](C)[N@H+](CCc1c[nH+]cn1C)CCc1ccccc1F ZINC001473129166 1183718829 /nfs/dbraw/zinc/71/88/29/1183718829.db2.gz YLHYEQHQIMOROB-HNNXBMFYSA-N 2 2 303.425 3.445 20 0 DGADLP CC[C@H](C)[N@@H+](CCc1c[nH+]cn1C)CCc1ccccc1F ZINC001473129166 1183718834 /nfs/dbraw/zinc/71/88/34/1183718834.db2.gz YLHYEQHQIMOROB-HNNXBMFYSA-N 2 2 303.425 3.445 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001473292929 1183740330 /nfs/dbraw/zinc/74/03/30/1183740330.db2.gz DIUOHDYVYZECGP-JKSUJKDBSA-N 2 2 303.356 3.268 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001473292929 1183740332 /nfs/dbraw/zinc/74/03/32/1183740332.db2.gz DIUOHDYVYZECGP-JKSUJKDBSA-N 2 2 303.356 3.268 20 0 DGADLP C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554703 1183773558 /nfs/dbraw/zinc/77/35/58/1183773558.db2.gz MYBJRTVZWRPWHD-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1CC(C)(C)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554703 1183773559 /nfs/dbraw/zinc/77/35/59/1183773559.db2.gz MYBJRTVZWRPWHD-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1CC(C)(C)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473554703 1183773561 /nfs/dbraw/zinc/77/35/61/1183773561.db2.gz MYBJRTVZWRPWHD-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1CC(C)(C)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473554703 1183773564 /nfs/dbraw/zinc/77/35/64/1183773564.db2.gz MYBJRTVZWRPWHD-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716300 1183793505 /nfs/dbraw/zinc/79/35/05/1183793505.db2.gz DAFBDICQMDBCBK-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716300 1183793507 /nfs/dbraw/zinc/79/35/07/1183793507.db2.gz DAFBDICQMDBCBK-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP C[C@@H](c1ncccn1)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897090 1183822224 /nfs/dbraw/zinc/82/22/24/1183822224.db2.gz IFGYHCUDWPMQGU-GJZGRUSLSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@@H](c1ncccn1)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897090 1183822228 /nfs/dbraw/zinc/82/22/28/1183822228.db2.gz IFGYHCUDWPMQGU-GJZGRUSLSA-N 2 2 313.449 3.369 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3cnn(C4CCC4)c3)c2)c[nH+]1 ZINC001473926825 1183830519 /nfs/dbraw/zinc/83/05/19/1183830519.db2.gz KUHDANVIEBMAMC-UHFFFAOYSA-N 2 2 321.428 3.143 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)CC2 ZINC001473934411 1183833845 /nfs/dbraw/zinc/83/38/45/1183833845.db2.gz YQYUBXLWTSHLCM-JTDSTZFVSA-N 2 2 316.489 3.405 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)CC2 ZINC001473934411 1183833846 /nfs/dbraw/zinc/83/38/46/1183833846.db2.gz YQYUBXLWTSHLCM-JTDSTZFVSA-N 2 2 316.489 3.405 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001473965090 1183840446 /nfs/dbraw/zinc/84/04/46/1183840446.db2.gz USPIUCUIHCILCD-CQSZACIVSA-N 2 2 309.885 3.228 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001473965090 1183840448 /nfs/dbraw/zinc/84/04/48/1183840448.db2.gz USPIUCUIHCILCD-CQSZACIVSA-N 2 2 309.885 3.228 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]Cc2cccc3ccccc32)CCSC1 ZINC001474033992 1183855120 /nfs/dbraw/zinc/85/51/20/1183855120.db2.gz HIXUKISNIJIUQA-GOSISDBHSA-N 2 2 300.471 3.367 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC001474195184 1183880443 /nfs/dbraw/zinc/88/04/43/1183880443.db2.gz NGJXRJMGORJLGR-ZTFGCOKTSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC001474195184 1183880447 /nfs/dbraw/zinc/88/04/47/1183880447.db2.gz NGJXRJMGORJLGR-ZTFGCOKTSA-N 2 2 300.446 3.117 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC001474194800 1183880524 /nfs/dbraw/zinc/88/05/24/1183880524.db2.gz BJNSUQIWYWAFIN-OALUTQOASA-N 2 2 301.478 3.387 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC001474194800 1183880529 /nfs/dbraw/zinc/88/05/29/1183880529.db2.gz BJNSUQIWYWAFIN-OALUTQOASA-N 2 2 301.478 3.387 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001480507414 1184540272 /nfs/dbraw/zinc/54/02/72/1184540272.db2.gz NHKOWEZWWLDHHA-AWEZNQCLSA-N 2 2 305.466 3.151 20 0 DGADLP CC/C=C/CC[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496748467 1185239861 /nfs/dbraw/zinc/23/98/61/1185239861.db2.gz GVTARKCEADGXCM-CMDGGOBGSA-N 2 2 317.477 3.367 20 0 DGADLP CC/C=C/CC[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496748467 1185239867 /nfs/dbraw/zinc/23/98/67/1185239867.db2.gz GVTARKCEADGXCM-CMDGGOBGSA-N 2 2 317.477 3.367 20 0 DGADLP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497213649 1185297834 /nfs/dbraw/zinc/29/78/34/1185297834.db2.gz CZVJCBCDCVJQTL-ZDUSSCGKSA-N 2 2 316.449 3.097 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC001655264805 1195897481 /nfs/dbraw/zinc/89/74/81/1195897481.db2.gz XKXSFJWBBXQVGE-UHFFFAOYSA-N 2 2 300.393 3.416 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC001655264805 1195897485 /nfs/dbraw/zinc/89/74/85/1195897485.db2.gz XKXSFJWBBXQVGE-UHFFFAOYSA-N 2 2 300.393 3.416 20 0 DGADLP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001507016864 1186341611 /nfs/dbraw/zinc/34/16/11/1186341611.db2.gz ACCZRPWQQVEHGW-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP CCc1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)[nH+]c1 ZINC001515890076 1186773389 /nfs/dbraw/zinc/77/33/89/1186773389.db2.gz BBMFZPJCRLPQRE-UHFFFAOYSA-N 2 2 310.445 3.363 20 0 DGADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001612484427 1193452874 /nfs/dbraw/zinc/45/28/74/1193452874.db2.gz RDCPTAJUHDBYGB-CQSZACIVSA-N 2 2 310.445 3.113 20 0 DGADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001612484427 1193452877 /nfs/dbraw/zinc/45/28/77/1193452877.db2.gz RDCPTAJUHDBYGB-CQSZACIVSA-N 2 2 310.445 3.113 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC001548842803 1188464732 /nfs/dbraw/zinc/46/47/32/1188464732.db2.gz LDIZLNWHVFTFLC-GFCCVEGCSA-N 2 2 305.809 3.159 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC001548842803 1188464734 /nfs/dbraw/zinc/46/47/34/1188464734.db2.gz LDIZLNWHVFTFLC-GFCCVEGCSA-N 2 2 305.809 3.159 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001549284537 1188509968 /nfs/dbraw/zinc/50/99/68/1188509968.db2.gz QKPYCWPURGWTFL-VNQPRFMTSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001549284537 1188509971 /nfs/dbraw/zinc/50/99/71/1188509971.db2.gz QKPYCWPURGWTFL-VNQPRFMTSA-N 2 2 312.379 3.378 20 0 DGADLP C[C@H](C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515884 1193572280 /nfs/dbraw/zinc/57/22/80/1193572280.db2.gz NKXXIQCGOPYJBU-XLIONFOSSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515884 1193572282 /nfs/dbraw/zinc/57/22/82/1193572282.db2.gz NKXXIQCGOPYJBU-XLIONFOSSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001617515884 1193572284 /nfs/dbraw/zinc/57/22/84/1193572284.db2.gz NKXXIQCGOPYJBU-XLIONFOSSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001617515884 1193572285 /nfs/dbraw/zinc/57/22/85/1193572285.db2.gz NKXXIQCGOPYJBU-XLIONFOSSA-N 2 2 318.505 3.380 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1F ZINC001551378596 1188732285 /nfs/dbraw/zinc/73/22/85/1188732285.db2.gz REILZABJPXNZJT-LSKLOWJMSA-N 2 2 300.377 3.110 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@]34CCC[C@@H]3[NH2+]CC4)c2)[nH+]c1C ZINC001552831398 1188874541 /nfs/dbraw/zinc/87/45/41/1188874541.db2.gz NHRDMFSWNLZFDX-LPHOPBHVSA-N 2 2 324.428 3.164 20 0 DGADLP c1cn(C2CC[NH+](C[C@H]3CC4(CO3)CCCCC4)CC2)c[nH+]1 ZINC001559580269 1189219635 /nfs/dbraw/zinc/21/96/35/1189219635.db2.gz IELYACSMXHGNFZ-QGZVFWFLSA-N 2 2 303.450 3.259 20 0 DGADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001559847647 1189249720 /nfs/dbraw/zinc/24/97/20/1189249720.db2.gz YOEGWJXUTADLSQ-BMGDILEWSA-N 2 2 313.445 3.330 20 0 DGADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001559847648 1189250358 /nfs/dbraw/zinc/25/03/58/1189250358.db2.gz YOEGWJXUTADLSQ-FHLIZLRMSA-N 2 2 313.445 3.330 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC001560233810 1189295695 /nfs/dbraw/zinc/29/56/95/1189295695.db2.gz MTKMACWGMUNKQK-UHFFFAOYSA-N 2 2 313.323 3.412 20 0 DGADLP CC[NH+]1CCC([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC001560248036 1189299311 /nfs/dbraw/zinc/29/93/11/1189299311.db2.gz URBMWPRHWXRYPT-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP CC[NH+]1CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001560248036 1189299313 /nfs/dbraw/zinc/29/93/13/1189299313.db2.gz URBMWPRHWXRYPT-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC001560321158 1189310684 /nfs/dbraw/zinc/31/06/84/1189310684.db2.gz DCGQDUIMRASREF-LVLPYEQSSA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC001560321158 1189310686 /nfs/dbraw/zinc/31/06/86/1189310686.db2.gz DCGQDUIMRASREF-LVLPYEQSSA-N 2 2 314.473 3.078 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc([C@@H]2CCCO2)s1)[NH+]1CCCCC1 ZINC001560437015 1189328586 /nfs/dbraw/zinc/32/85/86/1189328586.db2.gz ZKQCWTDWRGKUQW-ZBFHGGJFSA-N 2 2 323.506 3.349 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@H]2C1 ZINC001560623189 1189350242 /nfs/dbraw/zinc/35/02/42/1189350242.db2.gz RAHSMUXCUKZYKB-UBHSHLNASA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@H]2C1 ZINC001560623189 1189350248 /nfs/dbraw/zinc/35/02/48/1189350248.db2.gz RAHSMUXCUKZYKB-UBHSHLNASA-N 2 2 319.499 3.301 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC001560707851 1189365224 /nfs/dbraw/zinc/36/52/24/1189365224.db2.gz WAZHSKJBNNBFRI-CYBMUJFWSA-N 2 2 316.424 3.065 20 0 DGADLP CC(C)SCC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001560944800 1189408888 /nfs/dbraw/zinc/40/88/88/1189408888.db2.gz WKRJJJFELHTEEN-MRXNPFEDSA-N 2 2 303.475 3.435 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001561016311 1189421585 /nfs/dbraw/zinc/42/15/85/1189421585.db2.gz TWYWZCQTAXZPAF-OXQOHEQNSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001561016311 1189421588 /nfs/dbraw/zinc/42/15/88/1189421588.db2.gz TWYWZCQTAXZPAF-OXQOHEQNSA-N 2 2 315.505 3.068 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001571397555 1191013336 /nfs/dbraw/zinc/01/33/36/1191013336.db2.gz BFDZXSZBNXFCTE-VXKCQOAXSA-N 2 2 317.477 3.103 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C2C[NH2+]C2)no1 ZINC001576314091 1191560538 /nfs/dbraw/zinc/56/05/38/1191560538.db2.gz GYOAJNGXYNLQKP-LLVKDONJSA-N 2 2 305.809 3.208 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C2C[NH2+]C2)no1 ZINC001576314091 1191560542 /nfs/dbraw/zinc/56/05/42/1191560542.db2.gz GYOAJNGXYNLQKP-LLVKDONJSA-N 2 2 305.809 3.208 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC001620691898 1193792146 /nfs/dbraw/zinc/79/21/46/1193792146.db2.gz GCYOODLROMOOGF-WOJBJXKFSA-N 2 2 318.505 3.373 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC001620691898 1193792150 /nfs/dbraw/zinc/79/21/50/1193792150.db2.gz GCYOODLROMOOGF-WOJBJXKFSA-N 2 2 318.505 3.373 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCCOc3ccccc3)c2)c[nH+]1 ZINC001620703315 1193792886 /nfs/dbraw/zinc/79/28/86/1193792886.db2.gz GKDVSWOQFVLGGI-UHFFFAOYSA-N 2 2 313.426 3.493 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnsc2)CC1 ZINC001620726860 1193795563 /nfs/dbraw/zinc/79/55/63/1193795563.db2.gz JUEBBANQXNPISN-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP CCOc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001621125042 1193805572 /nfs/dbraw/zinc/80/55/72/1193805572.db2.gz KLYFQKIAKMFNML-PBHICJAKSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001621125042 1193805574 /nfs/dbraw/zinc/80/55/74/1193805574.db2.gz KLYFQKIAKMFNML-PBHICJAKSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001621125042 1193805577 /nfs/dbraw/zinc/80/55/77/1193805577.db2.gz KLYFQKIAKMFNML-PBHICJAKSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001621125042 1193805579 /nfs/dbraw/zinc/80/55/79/1193805579.db2.gz KLYFQKIAKMFNML-PBHICJAKSA-N 2 2 306.425 3.141 20 0 DGADLP C[C@@H]1CC[C@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001621261442 1193824633 /nfs/dbraw/zinc/82/46/33/1193824633.db2.gz UBKUOFGKRGSNKS-MJGOQNOKSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1CC[C@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC001621261442 1193824636 /nfs/dbraw/zinc/82/46/36/1193824636.db2.gz UBKUOFGKRGSNKS-MJGOQNOKSA-N 2 2 315.505 3.113 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000052070109 1194674528 /nfs/dbraw/zinc/67/45/28/1194674528.db2.gz DDJKYSFYXZDUJR-KRWDZBQOSA-N 2 2 310.869 3.180 20 0 DGADLP Cc1cc(N(CC(C)C)CC2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC001640313078 1194806308 /nfs/dbraw/zinc/80/63/08/1194806308.db2.gz PHEOVKSCWSIAAK-UHFFFAOYSA-N 2 2 316.493 3.467 20 0 DGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cscn1 ZINC000060526610 1195143485 /nfs/dbraw/zinc/14/34/85/1195143485.db2.gz COPUHOUFMIOJAT-UHFFFAOYSA-N 2 2 319.474 3.154 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC(F)(F)F)C2 ZINC001648254753 1195287155 /nfs/dbraw/zinc/28/71/55/1195287155.db2.gz JQNULAZICARTJF-JKSUJKDBSA-N 2 2 312.379 3.393 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC(F)(F)F)C2 ZINC001648254753 1195287158 /nfs/dbraw/zinc/28/71/58/1195287158.db2.gz JQNULAZICARTJF-JKSUJKDBSA-N 2 2 312.379 3.393 20 0 DGADLP C[C@]12C[NH+](CCC(F)(F)F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001648254753 1195287162 /nfs/dbraw/zinc/28/71/62/1195287162.db2.gz JQNULAZICARTJF-JKSUJKDBSA-N 2 2 312.379 3.393 20 0 DGADLP C[C@]12C[NH+](CCC(F)(F)F)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001648254753 1195287164 /nfs/dbraw/zinc/28/71/64/1195287164.db2.gz JQNULAZICARTJF-JKSUJKDBSA-N 2 2 312.379 3.393 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001651117291 1195416256 /nfs/dbraw/zinc/41/62/56/1195416256.db2.gz UCVFCJVJQGNDKN-DHBDYNCWSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001651117291 1195416260 /nfs/dbraw/zinc/41/62/60/1195416260.db2.gz UCVFCJVJQGNDKN-DHBDYNCWSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)c(Br)cc1F ZINC001651135580 1195418335 /nfs/dbraw/zinc/41/83/35/1195418335.db2.gz ALKIIDXIGPZYJQ-JTQLQIEISA-N 2 2 317.246 3.184 20 0 DGADLP CNc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001651472894 1195467780 /nfs/dbraw/zinc/46/77/80/1195467780.db2.gz VCEDAAQPLICFDS-LJQANCHMSA-N 2 2 306.413 3.456 20 0 DGADLP Cc1cc(C)cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000065932290 1195477841 /nfs/dbraw/zinc/47/78/41/1195477841.db2.gz KDTCVAJQUFEYDV-UHFFFAOYSA-N 2 2 324.468 3.425 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001651706301 1195500543 /nfs/dbraw/zinc/50/05/43/1195500543.db2.gz OQPNVUPJJDWQDB-LSDHHAIUSA-N 2 2 320.477 3.229 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)C3CCCCC3)CC2)c1 ZINC001652460352 1195600197 /nfs/dbraw/zinc/60/01/97/1195600197.db2.gz WTYLFBXRHWTBFO-MRXNPFEDSA-N 2 2 317.477 3.429 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652987118 1195678259 /nfs/dbraw/zinc/67/82/59/1195678259.db2.gz ZRJKJHIOIUAOAM-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652987118 1195678261 /nfs/dbraw/zinc/67/82/61/1195678261.db2.gz ZRJKJHIOIUAOAM-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC001653208280 1195699017 /nfs/dbraw/zinc/69/90/17/1195699017.db2.gz KYSHKZIUCDBNRX-IMFGXOCKSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653208280 1195699019 /nfs/dbraw/zinc/69/90/19/1195699019.db2.gz KYSHKZIUCDBNRX-IMFGXOCKSA-N 2 2 309.457 3.438 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCC ZINC000069058803 1195769893 /nfs/dbraw/zinc/76/98/93/1195769893.db2.gz PXOFTPWTIBWUMT-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OCC ZINC000069058803 1195769895 /nfs/dbraw/zinc/76/98/95/1195769895.db2.gz PXOFTPWTIBWUMT-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CC(C)OCC[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520583 1195812924 /nfs/dbraw/zinc/81/29/24/1195812924.db2.gz LJULIVAHWLBMJQ-BGYRXZFFSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)OCC[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520583 1195812931 /nfs/dbraw/zinc/81/29/31/1195812931.db2.gz LJULIVAHWLBMJQ-BGYRXZFFSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)OCC[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520583 1195812934 /nfs/dbraw/zinc/81/29/34/1195812934.db2.gz LJULIVAHWLBMJQ-BGYRXZFFSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)OCC[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520583 1195812939 /nfs/dbraw/zinc/81/29/39/1195812939.db2.gz LJULIVAHWLBMJQ-BGYRXZFFSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1Br ZINC000070181549 1195851419 /nfs/dbraw/zinc/85/14/19/1195851419.db2.gz MVPZEARDDWWUKK-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1Br ZINC000070181549 1195851422 /nfs/dbraw/zinc/85/14/22/1195851422.db2.gz MVPZEARDDWWUKK-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP CCc1cc(N(C)CC[N@H+](C)C2CCCCC2)nc(CC)[nH+]1 ZINC001655033632 1195866792 /nfs/dbraw/zinc/86/67/92/1195866792.db2.gz ROUDQSAXOXZKQZ-UHFFFAOYSA-N 2 2 304.482 3.302 20 0 DGADLP CCc1cc(N(C)CC[N@@H+](C)C2CCCCC2)nc(CC)[nH+]1 ZINC001655033632 1195866796 /nfs/dbraw/zinc/86/67/96/1195866796.db2.gz ROUDQSAXOXZKQZ-UHFFFAOYSA-N 2 2 304.482 3.302 20 0 DGADLP CCC[NH+]1CCC(CNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001655083576 1195874359 /nfs/dbraw/zinc/87/43/59/1195874359.db2.gz YOUNJBOLBAWDKM-UHFFFAOYSA-N 2 2 323.444 3.416 20 0 DGADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130503 1195880426 /nfs/dbraw/zinc/88/04/26/1195880426.db2.gz IXNXERFCKQCFCD-ARFHVFGLSA-N 2 2 305.466 3.243 20 0 DGADLP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130503 1195880430 /nfs/dbraw/zinc/88/04/30/1195880430.db2.gz IXNXERFCKQCFCD-ARFHVFGLSA-N 2 2 305.466 3.243 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130693 1195880462 /nfs/dbraw/zinc/88/04/62/1195880462.db2.gz LAHHQXJLWHKPKF-IAGOWNOFSA-N 3 2 318.509 3.302 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130693 1195880473 /nfs/dbraw/zinc/88/04/73/1195880473.db2.gz LAHHQXJLWHKPKF-IAGOWNOFSA-N 3 2 318.509 3.302 20 0 DGADLP CC(C)COc1cccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001655234825 1195894197 /nfs/dbraw/zinc/89/41/97/1195894197.db2.gz UFJJBSIZVAKXRU-PMACEKPBSA-N 2 2 316.489 3.495 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001655259564 1195897405 /nfs/dbraw/zinc/89/74/05/1195897405.db2.gz OLFKBYDSQQXJFO-NEWSRXKRSA-N 2 2 308.510 3.436 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC001655264400 1195897743 /nfs/dbraw/zinc/89/77/43/1195897743.db2.gz BYIIOXOLPUCRPE-JTQLQIEISA-N 2 2 314.216 3.377 20 0 DGADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC001655341104 1195905755 /nfs/dbraw/zinc/90/57/55/1195905755.db2.gz LLRDNZLDSHKJMH-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)nc(C)[nH+]1 ZINC001655675866 1195948114 /nfs/dbraw/zinc/94/81/14/1195948114.db2.gz WGOXZTQKVMADSC-IBGZPJMESA-N 2 2 324.472 3.440 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)nc(C)[nH+]1 ZINC001655675866 1195948115 /nfs/dbraw/zinc/94/81/15/1195948115.db2.gz WGOXZTQKVMADSC-IBGZPJMESA-N 2 2 324.472 3.440 20 0 DGADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910591 1195976597 /nfs/dbraw/zinc/97/65/97/1195976597.db2.gz ORBSPNRQEWOFSO-CYBMUJFWSA-N 2 2 319.478 3.178 20 0 DGADLP Cc1nnsc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910591 1195976599 /nfs/dbraw/zinc/97/65/99/1195976599.db2.gz ORBSPNRQEWOFSO-CYBMUJFWSA-N 2 2 319.478 3.178 20 0 DGADLP Cn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C2CCCCC2)n1 ZINC001655996605 1195985641 /nfs/dbraw/zinc/98/56/41/1195985641.db2.gz YMDJYUALQICLJF-UHFFFAOYSA-N 2 2 316.493 3.184 20 0 DGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001656078555 1195996239 /nfs/dbraw/zinc/99/62/39/1195996239.db2.gz KPVKZGASVBVNAB-YLJYHZDGSA-N 2 2 316.489 3.435 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001656147034 1196010058 /nfs/dbraw/zinc/01/00/58/1196010058.db2.gz CNPMKPXXRUGOLJ-CALCHBBNSA-N 2 2 317.477 3.151 20 0 DGADLP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)Cc2ccccc2C1 ZINC001656592699 1196052885 /nfs/dbraw/zinc/05/28/85/1196052885.db2.gz ZYGXMZLKZDXQKI-SFTDATJTSA-N 2 2 320.480 3.479 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001656663252 1196059498 /nfs/dbraw/zinc/05/94/98/1196059498.db2.gz RNJNOEIOEBAHNW-UHFFFAOYSA-N 2 2 322.880 3.487 20 0 DGADLP Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656672238 1196060977 /nfs/dbraw/zinc/06/09/77/1196060977.db2.gz QTBPHWAWIUCJII-AWEZNQCLSA-N 2 2 319.455 3.127 20 0 DGADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001656751896 1196068503 /nfs/dbraw/zinc/06/85/03/1196068503.db2.gz RJCQKHFKEXNUQJ-GOSISDBHSA-N 2 2 302.462 3.364 20 0 DGADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001656751896 1196068506 /nfs/dbraw/zinc/06/85/06/1196068506.db2.gz RJCQKHFKEXNUQJ-GOSISDBHSA-N 2 2 302.462 3.364 20 0 DGADLP CN(C)c1cc[nH+]cc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC001656963518 1196088189 /nfs/dbraw/zinc/08/81/89/1196088189.db2.gz MGNGOUIZEOMVKB-UHFFFAOYSA-N 2 2 311.433 3.145 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001657116207 1196107764 /nfs/dbraw/zinc/10/77/64/1196107764.db2.gz BVFKBPFMGRZXIR-UHFFFAOYSA-N 2 2 324.509 3.208 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC001657116207 1196107765 /nfs/dbraw/zinc/10/77/65/1196107765.db2.gz BVFKBPFMGRZXIR-UHFFFAOYSA-N 2 2 324.509 3.208 20 0 DGADLP CCc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCO2 ZINC001657137811 1196110010 /nfs/dbraw/zinc/11/00/10/1196110010.db2.gz YYHMNZUWNNQTBS-QGZVFWFLSA-N 2 2 311.429 3.323 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001657148394 1196111663 /nfs/dbraw/zinc/11/16/63/1196111663.db2.gz FMRLCRGLLATELD-ARFHVFGLSA-N 2 2 312.461 3.047 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001657148394 1196111665 /nfs/dbraw/zinc/11/16/65/1196111665.db2.gz FMRLCRGLLATELD-ARFHVFGLSA-N 2 2 312.461 3.047 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001657471926 1196146723 /nfs/dbraw/zinc/14/67/23/1196146723.db2.gz QRLPWKBKOQMPOA-QGZVFWFLSA-N 2 2 304.478 3.387 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001657471926 1196146726 /nfs/dbraw/zinc/14/67/26/1196146726.db2.gz QRLPWKBKOQMPOA-QGZVFWFLSA-N 2 2 304.478 3.387 20 0 DGADLP CC[NH+]1CCN(c2cccc(NCc3cc(C)[nH+]c(C)c3)c2)CC1 ZINC001657847156 1196184133 /nfs/dbraw/zinc/18/41/33/1196184133.db2.gz AUFNYQPMHXBXPW-UHFFFAOYSA-N 2 2 324.472 3.452 20 0 DGADLP CCO[C@H](C[NH2+]C/C(C)=C/c1ccc(Cl)cc1)C[NH+](C)C ZINC001657973353 1196197948 /nfs/dbraw/zinc/19/79/48/1196197948.db2.gz JHHBKZAQNIOBMZ-IDKBZEPQSA-N 2 2 310.869 3.300 20 0 DGADLP CNc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001658069872 1196208868 /nfs/dbraw/zinc/20/88/68/1196208868.db2.gz YSFHXFGQPHBRQL-UHFFFAOYSA-N 2 2 306.413 3.263 20 0 DGADLP CC[C@H]1CCC[C@H](C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC001658932148 1196321551 /nfs/dbraw/zinc/32/15/51/1196321551.db2.gz WCVPPXMDSBHQCV-IRXDYDNUSA-N 2 2 317.477 3.429 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001658945511 1196323348 /nfs/dbraw/zinc/32/33/48/1196323348.db2.gz PNBDNJOGJBYGME-RLLQIKCJSA-N 2 2 317.521 3.012 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001658945511 1196323351 /nfs/dbraw/zinc/32/33/51/1196323351.db2.gz PNBDNJOGJBYGME-RLLQIKCJSA-N 2 2 317.521 3.012 20 0 DGADLP COC1(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCC1 ZINC001659135706 1196350148 /nfs/dbraw/zinc/35/01/48/1196350148.db2.gz YFVLPSFGZUDXSI-MSOLQXFVSA-N 2 2 311.429 3.270 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@H]1C[C@@H]1C ZINC001659143367 1196352522 /nfs/dbraw/zinc/35/25/22/1196352522.db2.gz FXFCTBMWBZOBBV-LSDHHAIUSA-N 2 2 300.450 3.446 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001659418826 1196382135 /nfs/dbraw/zinc/38/21/35/1196382135.db2.gz OEXAXYLRWUWIAU-FRYIKTPZSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001659418826 1196382141 /nfs/dbraw/zinc/38/21/41/1196382141.db2.gz OEXAXYLRWUWIAU-FRYIKTPZSA-N 2 2 316.489 3.443 20 0 DGADLP COc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000075774099 1196419008 /nfs/dbraw/zinc/41/90/08/1196419008.db2.gz UTVLCCQWUSGKSI-UHFFFAOYSA-N 2 2 307.397 3.230 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC001660007735 1196436666 /nfs/dbraw/zinc/43/66/66/1196436666.db2.gz UYGZVTPCGAATBV-QXAKKESOSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC001660007735 1196436667 /nfs/dbraw/zinc/43/66/67/1196436667.db2.gz UYGZVTPCGAATBV-QXAKKESOSA-N 2 2 302.462 3.198 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001660102852 1196446369 /nfs/dbraw/zinc/44/63/69/1196446369.db2.gz ZDFGCPDTURSUEC-QUCCMNQESA-N 2 2 310.441 3.232 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001660102852 1196446371 /nfs/dbraw/zinc/44/63/71/1196446371.db2.gz ZDFGCPDTURSUEC-QUCCMNQESA-N 2 2 310.441 3.232 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001660102852 1196446372 /nfs/dbraw/zinc/44/63/72/1196446372.db2.gz ZDFGCPDTURSUEC-QUCCMNQESA-N 2 2 310.441 3.232 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001660102852 1196446373 /nfs/dbraw/zinc/44/63/73/1196446373.db2.gz ZDFGCPDTURSUEC-QUCCMNQESA-N 2 2 310.441 3.232 20 0 DGADLP C[C@H]1Cc2cc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)ccc2O1 ZINC001660443439 1196484511 /nfs/dbraw/zinc/48/45/11/1196484511.db2.gz NQGUSXCVOWPKDS-INIZCTEOSA-N 2 2 314.473 3.460 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC001660943579 1196544406 /nfs/dbraw/zinc/54/44/06/1196544406.db2.gz PKVLCENLPINHKZ-CYBMUJFWSA-N 2 2 322.884 3.437 20 0 DGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001661557781 1196619598 /nfs/dbraw/zinc/61/95/98/1196619598.db2.gz HBUWXZPLOKDUKW-QAPCUYQASA-N 2 2 300.490 3.500 20 0 DGADLP C[C@@H](CCc1ccccc1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC001661634457 1196626204 /nfs/dbraw/zinc/62/62/04/1196626204.db2.gz NXGSOQKCCREESQ-WMZOPIPTSA-N 2 2 306.519 3.282 20 0 DGADLP Brc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001661643033 1196627333 /nfs/dbraw/zinc/62/73/33/1196627333.db2.gz PEIWFDINWTZPEZ-UHFFFAOYSA-N 2 2 320.234 3.436 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000078371517 1196720959 /nfs/dbraw/zinc/72/09/59/1196720959.db2.gz RVAUVMUGIZIKHW-UHFFFAOYSA-N 2 2 307.457 3.103 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)c(COC)c2C)C1 ZINC001662940941 1196775034 /nfs/dbraw/zinc/77/50/34/1196775034.db2.gz GKOQTSZGPDLMPQ-QGZVFWFLSA-N 2 2 304.478 3.332 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)c(COC)c2C)C1 ZINC001662940941 1196775038 /nfs/dbraw/zinc/77/50/38/1196775038.db2.gz GKOQTSZGPDLMPQ-QGZVFWFLSA-N 2 2 304.478 3.332 20 0 DGADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1OC ZINC000079000576 1196846927 /nfs/dbraw/zinc/84/69/27/1196846927.db2.gz NTCXBBLZCRLWHS-INIZCTEOSA-N 2 2 317.433 3.105 20 0 DGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(OC)c1 ZINC000079000450 1196846953 /nfs/dbraw/zinc/84/69/53/1196846953.db2.gz FQOLGYIPURYNLW-KRWDZBQOSA-N 2 2 317.433 3.105 20 0 DGADLP Cc1csc([C@@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC001664195003 1196979477 /nfs/dbraw/zinc/97/94/77/1196979477.db2.gz SANBOXCGFDCGPU-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c(C)[nH+]1 ZINC001672021641 1197590432 /nfs/dbraw/zinc/59/04/32/1197590432.db2.gz YNYQVOMJMUZJIF-GJZGRUSLSA-N 2 2 304.438 3.001 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428592 1199604345 /nfs/dbraw/zinc/60/43/45/1199604345.db2.gz RWXYGYHIMCRBSB-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108428592 1199604347 /nfs/dbraw/zinc/60/43/47/1199604347.db2.gz RWXYGYHIMCRBSB-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP Cn1c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)nc2ccccc21 ZINC000116378850 1199797949 /nfs/dbraw/zinc/79/79/49/1199797949.db2.gz DIAVGWCCNBTKHF-INIZCTEOSA-N 2 2 302.466 3.029 20 0 DGADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(F)cccc1F ZINC000119748417 1200115852 /nfs/dbraw/zinc/11/58/52/1200115852.db2.gz WPDYDZVEQJKINC-UHFFFAOYSA-N 2 2 320.383 3.195 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000123612662 1200282410 /nfs/dbraw/zinc/28/24/10/1200282410.db2.gz XUMMNMBUWBPZLS-GOSISDBHSA-N 2 2 305.381 3.404 20 0 DGADLP COCc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000125120264 1200360796 /nfs/dbraw/zinc/36/07/96/1200360796.db2.gz JUNRCXUKWSJBIQ-AWEZNQCLSA-N 2 2 311.385 3.463 20 0 DGADLP CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972226 1200890937 /nfs/dbraw/zinc/89/09/37/1200890937.db2.gz NUGPVQDAKBJFBY-QGZVFWFLSA-N 2 2 317.477 3.201 20 0 DGADLP CCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972226 1200890946 /nfs/dbraw/zinc/89/09/46/1200890946.db2.gz NUGPVQDAKBJFBY-QGZVFWFLSA-N 2 2 317.477 3.201 20 0 DGADLP CCCCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001699656461 1202017626 /nfs/dbraw/zinc/01/76/26/1202017626.db2.gz FELCHKSHYQQZEV-UHFFFAOYSA-N 2 2 317.477 3.439 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CCCCCF)c(C)[nH+]1 ZINC001700469295 1202285121 /nfs/dbraw/zinc/28/51/21/1202285121.db2.gz AILWNLNCENLILP-OAHLLOKOSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CCCCCF)c(C)[nH+]1 ZINC001700469295 1202285123 /nfs/dbraw/zinc/28/51/23/1202285123.db2.gz AILWNLNCENLILP-OAHLLOKOSA-N 2 2 323.456 3.197 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000152541725 1202594733 /nfs/dbraw/zinc/59/47/33/1202594733.db2.gz NFPXZSJERGSKLE-LSDHHAIUSA-N 2 2 321.534 3.478 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000152541725 1202594734 /nfs/dbraw/zinc/59/47/34/1202594734.db2.gz NFPXZSJERGSKLE-LSDHHAIUSA-N 2 2 321.534 3.478 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000156568995 1202600902 /nfs/dbraw/zinc/60/09/02/1202600902.db2.gz KIAXHAOCWZPXGM-SFHVURJKSA-N 2 2 321.896 3.383 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000156568995 1202600903 /nfs/dbraw/zinc/60/09/03/1202600903.db2.gz KIAXHAOCWZPXGM-SFHVURJKSA-N 2 2 321.896 3.383 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000236798798 1202625424 /nfs/dbraw/zinc/62/54/24/1202625424.db2.gz JEJJMKQKWHHYCK-LJQANCHMSA-N 2 2 312.457 3.286 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000236798798 1202625425 /nfs/dbraw/zinc/62/54/25/1202625425.db2.gz JEJJMKQKWHHYCK-LJQANCHMSA-N 2 2 312.457 3.286 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713409888 1202646861 /nfs/dbraw/zinc/64/68/61/1202646861.db2.gz BWUSWXHIISBESE-ZRUQZJFASA-N 2 2 314.433 3.017 20 0 DGADLP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000160865858 1202648748 /nfs/dbraw/zinc/64/87/48/1202648748.db2.gz KDTJOWBRQLVQMV-UHFFFAOYSA-N 2 2 323.444 3.020 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001714734089 1203112689 /nfs/dbraw/zinc/11/26/89/1203112689.db2.gz CNWHWRQACXQTQU-CQSZACIVSA-N 2 2 319.493 3.351 20 0 DGADLP CCCC[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714877214 1203172894 /nfs/dbraw/zinc/17/28/94/1203172894.db2.gz YVVFVOKXGNCYRB-KRWDZBQOSA-N 2 2 317.477 3.249 20 0 DGADLP CCCC[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714877214 1203172898 /nfs/dbraw/zinc/17/28/98/1203172898.db2.gz YVVFVOKXGNCYRB-KRWDZBQOSA-N 2 2 317.477 3.249 20 0 DGADLP CCC(CC)C[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715247889 1203303062 /nfs/dbraw/zinc/30/30/62/1203303062.db2.gz WOVREGZDVSRWJP-ZDUSSCGKSA-N 2 2 319.493 3.399 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(C)C)c(C)[nH+]1 ZINC001716065081 1203438062 /nfs/dbraw/zinc/43/80/62/1203438062.db2.gz IZXMFIPKEIFHRF-IAGOWNOFSA-N 2 2 317.477 3.151 20 0 DGADLP CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001725748902 1204210975 /nfs/dbraw/zinc/21/09/75/1204210975.db2.gz YFKBMYCAKFYOEA-HZPDHXFCSA-N 2 2 322.497 3.001 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001732561278 1204897291 /nfs/dbraw/zinc/89/72/91/1204897291.db2.gz ATQQWSBXHAYULE-CXAGYDPISA-N 2 2 319.493 3.397 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001733537809 1205158050 /nfs/dbraw/zinc/15/80/50/1205158050.db2.gz SILIVVSUDPUPRV-DOTOQJQBSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc(C(C)(C)C)[nH+]1 ZINC001164770810 721299950 /nfs/dbraw/zinc/29/99/50/721299950.db2.gz WJWPONNGCJOQAY-UHFFFAOYSA-N 2 2 314.477 3.005 20 0 DGADLP Cc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc(C(C)(C)C)[nH+]1 ZINC001164770810 721299953 /nfs/dbraw/zinc/29/99/53/721299953.db2.gz WJWPONNGCJOQAY-UHFFFAOYSA-N 2 2 314.477 3.005 20 0 DGADLP Cc1ccc(Br)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001137386003 1105511107 /nfs/dbraw/zinc/51/11/07/1105511107.db2.gz LUSNKANHNLSDTI-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001137386003 1105511113 /nfs/dbraw/zinc/51/11/13/1105511113.db2.gz LUSNKANHNLSDTI-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001137386003 1105511119 /nfs/dbraw/zinc/51/11/19/1105511119.db2.gz LUSNKANHNLSDTI-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001137386003 1105511124 /nfs/dbraw/zinc/51/11/24/1105511124.db2.gz LUSNKANHNLSDTI-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP CCOc1cc[nH+]c(N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167070391 1081635077 /nfs/dbraw/zinc/63/50/77/1081635077.db2.gz SGBMZICNHZXOFU-UHFFFAOYSA-N 2 2 309.413 3.253 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169977528 1081760600 /nfs/dbraw/zinc/76/06/00/1081760600.db2.gz OTFLOPUMOKSQKC-OAHLLOKOSA-N 2 2 311.514 3.107 20 0 DGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169984875 1081783461 /nfs/dbraw/zinc/78/34/61/1081783461.db2.gz UBWMKFMESXWBJM-AWEZNQCLSA-N 2 2 311.514 3.250 20 0 DGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169984875 1081783468 /nfs/dbraw/zinc/78/34/68/1081783468.db2.gz UBWMKFMESXWBJM-AWEZNQCLSA-N 2 2 311.514 3.250 20 0 DGADLP CO[C@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCC1 ZINC001170061856 1081974095 /nfs/dbraw/zinc/97/40/95/1081974095.db2.gz DVKWMGOZOMEAMP-GOSISDBHSA-N 2 2 308.466 3.239 20 0 DGADLP CO[C@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCC1 ZINC001170061856 1081974100 /nfs/dbraw/zinc/97/41/00/1081974100.db2.gz DVKWMGOZOMEAMP-GOSISDBHSA-N 2 2 308.466 3.239 20 0 DGADLP CO[C@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)C1CCCC1 ZINC001170061856 1081974105 /nfs/dbraw/zinc/97/41/05/1081974105.db2.gz DVKWMGOZOMEAMP-GOSISDBHSA-N 2 2 308.466 3.239 20 0 DGADLP CO[C@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC001170061856 1081974109 /nfs/dbraw/zinc/97/41/09/1081974109.db2.gz DVKWMGOZOMEAMP-GOSISDBHSA-N 2 2 308.466 3.239 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000075640796 1082097683 /nfs/dbraw/zinc/09/76/83/1082097683.db2.gz YOLIECHNHUMGCM-IBGZPJMESA-N 2 2 304.478 3.143 20 0 DGADLP C[NH+]1CC(CNc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)C1 ZINC001170253210 1082335333 /nfs/dbraw/zinc/33/53/33/1082335333.db2.gz HZIDDHBDLXSPHQ-UHFFFAOYSA-N 2 2 313.367 3.343 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167617117 1082609912 /nfs/dbraw/zinc/60/99/12/1082609912.db2.gz KPAILJNIWKJLDV-AWEZNQCLSA-N 2 2 311.433 3.045 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167617117 1082609914 /nfs/dbraw/zinc/60/99/14/1082609914.db2.gz KPAILJNIWKJLDV-AWEZNQCLSA-N 2 2 311.433 3.045 20 0 DGADLP Cc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]c2c1cccc2C(C)C ZINC001170567670 1082686722 /nfs/dbraw/zinc/68/67/22/1082686722.db2.gz FDQZLUILVXEEJS-RHSMWYFYSA-N 2 2 313.445 3.455 20 0 DGADLP CCC/C=C\CC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560501 1082687766 /nfs/dbraw/zinc/68/77/66/1082687766.db2.gz QGHUCOZLOXRNAA-FPLPWBNLSA-N 2 2 303.450 3.073 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCC2CCCC2)c(C)[nH+]1 ZINC001131560541 1082687945 /nfs/dbraw/zinc/68/79/45/1082687945.db2.gz SIOLOVSVVPUYLX-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP C[C@@H](Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)[C@H]1C[NH2+]CCO1 ZINC001170571802 1082690584 /nfs/dbraw/zinc/69/05/84/1082690584.db2.gz FNCPFSKAURJROW-FZKQIMNGSA-N 2 2 322.412 3.019 20 0 DGADLP Cc1nc(N2CCC[C@@](C)(C[NH3+])C2)cc(C2CCCCC2)[nH+]1 ZINC001158679427 1082963497 /nfs/dbraw/zinc/96/34/97/1082963497.db2.gz WKKHJJSTVNNCBX-SFHVURJKSA-N 2 2 302.466 3.398 20 0 DGADLP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cccn2cc[nH+]c12 ZINC001170681658 1083105895 /nfs/dbraw/zinc/10/58/95/1083105895.db2.gz SYRHLSXMAPBHLB-ZDUSSCGKSA-N 2 2 303.369 3.207 20 0 DGADLP CNc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c[nH+]1 ZINC001170752982 1083297119 /nfs/dbraw/zinc/29/71/19/1083297119.db2.gz WMJRMZUVFOQQGE-SFHVURJKSA-N 2 2 310.445 3.242 20 0 DGADLP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739962 1083326674 /nfs/dbraw/zinc/32/66/74/1083326674.db2.gz MJYNNLRMHBZZOI-ZIAGYGMSSA-N 2 2 316.449 3.096 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(O)c(F)c2F)cc1 ZINC001181488960 1083476179 /nfs/dbraw/zinc/47/61/79/1083476179.db2.gz VBMSFBWDSPVTCP-UHFFFAOYSA-N 2 2 320.383 3.364 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(O)c(F)c2F)cc1 ZINC001181488960 1083476185 /nfs/dbraw/zinc/47/61/85/1083476185.db2.gz VBMSFBWDSPVTCP-UHFFFAOYSA-N 2 2 320.383 3.364 20 0 DGADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918076 1083841197 /nfs/dbraw/zinc/84/11/97/1083841197.db2.gz JAUHKMRNTJBZTD-VQTJNVASSA-N 2 2 316.489 3.241 20 0 DGADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918076 1083841204 /nfs/dbraw/zinc/84/12/04/1083841204.db2.gz JAUHKMRNTJBZTD-VQTJNVASSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c(F)cccc2Br)CC1 ZINC001205264286 1083917851 /nfs/dbraw/zinc/91/78/51/1083917851.db2.gz JBIDOIJVEITAQU-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(F)cccc2Br)CC1 ZINC001205264286 1083917856 /nfs/dbraw/zinc/91/78/56/1083917856.db2.gz JBIDOIJVEITAQU-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001205264249 1083924616 /nfs/dbraw/zinc/92/46/16/1083924616.db2.gz IEVCGCMSOFXCPJ-HNNXBMFYSA-N 2 2 302.340 3.130 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001205264249 1083924622 /nfs/dbraw/zinc/92/46/22/1083924622.db2.gz IEVCGCMSOFXCPJ-HNNXBMFYSA-N 2 2 302.340 3.130 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1OC ZINC001205274016 1083965351 /nfs/dbraw/zinc/96/53/51/1083965351.db2.gz RTHLIXQDONPXGQ-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)c1OC ZINC001205274016 1083965353 /nfs/dbraw/zinc/96/53/53/1083965353.db2.gz RTHLIXQDONPXGQ-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001167835713 1084158877 /nfs/dbraw/zinc/15/88/77/1084158877.db2.gz UDANGJGKCZCLGS-QZTJIDSGSA-N 3 2 319.493 3.354 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001167835713 1084158882 /nfs/dbraw/zinc/15/88/82/1084158882.db2.gz UDANGJGKCZCLGS-QZTJIDSGSA-N 3 2 319.493 3.354 20 0 DGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001184453256 1084187027 /nfs/dbraw/zinc/18/70/27/1084187027.db2.gz FVOBYZGECFYICW-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@H]1C[NH3+] ZINC001205303198 1084225859 /nfs/dbraw/zinc/22/58/59/1084225859.db2.gz AVGSXIUZTNCTEW-MWLCHTKSSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@H]1C[NH3+] ZINC001205303198 1084225867 /nfs/dbraw/zinc/22/58/67/1084225867.db2.gz AVGSXIUZTNCTEW-MWLCHTKSSA-N 2 2 322.321 3.400 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001185864790 1084546964 /nfs/dbraw/zinc/54/69/64/1084546964.db2.gz FKDDMBNHQXTSJH-INIZCTEOSA-N 2 2 316.493 3.444 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001185864790 1084546973 /nfs/dbraw/zinc/54/69/73/1084546973.db2.gz FKDDMBNHQXTSJH-INIZCTEOSA-N 2 2 316.493 3.444 20 0 DGADLP [NH2+]=C(Nc1cnc2c(cccc2C(F)(F)F)c1)SCC[NH3+] ZINC001167912054 1084623477 /nfs/dbraw/zinc/62/34/77/1084623477.db2.gz KKFJMCVVEJRKKR-UHFFFAOYSA-N 2 2 314.336 3.292 20 0 DGADLP C[NH+](C)[C@H]1C[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1(C)C ZINC001186790285 1084703534 /nfs/dbraw/zinc/70/35/34/1084703534.db2.gz HSDBSDRCNGAUCQ-CVEARBPZSA-N 2 2 309.417 3.023 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001268741235 1085013912 /nfs/dbraw/zinc/01/39/12/1085013912.db2.gz XQNUNOWJUFZYND-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001268741235 1085013915 /nfs/dbraw/zinc/01/39/15/1085013915.db2.gz XQNUNOWJUFZYND-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cnccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011024 1086211268 /nfs/dbraw/zinc/21/12/68/1086211268.db2.gz MEGAYWCFUSNSNY-HOTGVXAUSA-N 2 2 310.445 3.008 20 0 DGADLP Cc1nccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023041 1086409612 /nfs/dbraw/zinc/40/96/12/1086409612.db2.gz USITXIWGCNDMIP-CWPLJXCYSA-N 2 2 324.472 3.316 20 0 DGADLP Cc1nccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023041 1086409615 /nfs/dbraw/zinc/40/96/15/1086409615.db2.gz USITXIWGCNDMIP-CWPLJXCYSA-N 2 2 324.472 3.316 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168035018 1086478208 /nfs/dbraw/zinc/47/82/08/1086478208.db2.gz SDMUMIKWJZEOHL-HGKCTWBKSA-N 2 2 324.472 3.316 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168035018 1086478213 /nfs/dbraw/zinc/47/82/13/1086478213.db2.gz SDMUMIKWJZEOHL-HGKCTWBKSA-N 2 2 324.472 3.316 20 0 DGADLP C[C@@H]1CC([N@H+]2CCOC[C@@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039171 1086496835 /nfs/dbraw/zinc/49/68/35/1086496835.db2.gz BQFNHSGWEMKZFF-ZACQAIPSSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCOC[C@@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039171 1086496840 /nfs/dbraw/zinc/49/68/40/1086496840.db2.gz BQFNHSGWEMKZFF-ZACQAIPSSA-N 2 2 302.462 3.149 20 0 DGADLP CO[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041058 1086504649 /nfs/dbraw/zinc/50/46/49/1086504649.db2.gz QLSRGDPXNUBOGO-HAYURNKSSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041058 1086504656 /nfs/dbraw/zinc/50/46/56/1086504656.db2.gz QLSRGDPXNUBOGO-HAYURNKSSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041058 1086504663 /nfs/dbraw/zinc/50/46/63/1086504663.db2.gz QLSRGDPXNUBOGO-HAYURNKSSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041058 1086504671 /nfs/dbraw/zinc/50/46/71/1086504671.db2.gz QLSRGDPXNUBOGO-HAYURNKSSA-N 2 2 320.452 3.097 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)cc(C(F)(F)F)c2)C1 ZINC001205009564 1086530559 /nfs/dbraw/zinc/53/05/59/1086530559.db2.gz XDFWBSTZRWKVQO-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)cc(C(F)(F)F)c2)C1 ZINC001205009564 1086530566 /nfs/dbraw/zinc/53/05/66/1086530566.db2.gz XDFWBSTZRWKVQO-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001168071684 1086726779 /nfs/dbraw/zinc/72/67/79/1086726779.db2.gz LPHFRMDRZTUCEF-YLJYHZDGSA-N 2 2 316.489 3.098 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168093118 1086852228 /nfs/dbraw/zinc/85/22/28/1086852228.db2.gz LZALHVSGJAZFRO-BEFAXECRSA-N 2 2 320.452 3.256 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143104 1086982918 /nfs/dbraw/zinc/98/29/18/1086982918.db2.gz HBMGSHDQJXGDSU-DNVCBOLYSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143104 1086982923 /nfs/dbraw/zinc/98/29/23/1086982923.db2.gz HBMGSHDQJXGDSU-DNVCBOLYSA-N 2 2 320.452 3.289 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001482856056 1087172967 /nfs/dbraw/zinc/17/29/67/1087172967.db2.gz MGUQTQCHEPYLKJ-AWEZNQCLSA-N 2 2 317.477 3.295 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC001168387772 1087547743 /nfs/dbraw/zinc/54/77/43/1087547743.db2.gz UAMMJILPTKESQZ-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC001168387772 1087547747 /nfs/dbraw/zinc/54/77/47/1087547747.db2.gz UAMMJILPTKESQZ-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP CCN(CC)c1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]cn1 ZINC001158268561 1087750699 /nfs/dbraw/zinc/75/06/99/1087750699.db2.gz ZXTVSNPSYIOPCA-RDTXWAMCSA-N 2 2 319.497 3.278 20 0 DGADLP CCN(CC)c1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc[nH+]1 ZINC001158268561 1087750714 /nfs/dbraw/zinc/75/07/14/1087750714.db2.gz ZXTVSNPSYIOPCA-RDTXWAMCSA-N 2 2 319.497 3.278 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(F)c3cccnc13)CC2 ZINC001168457547 1087813284 /nfs/dbraw/zinc/81/32/84/1087813284.db2.gz CUONPZGVHLSAMM-UHFFFAOYSA-N 2 2 313.420 3.434 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(F)c3cccnc13)CC2 ZINC001168457547 1087813309 /nfs/dbraw/zinc/81/33/09/1087813309.db2.gz CUONPZGVHLSAMM-UHFFFAOYSA-N 2 2 313.420 3.434 20 0 DGADLP Cc1nc(N(C2CCCC2)C2CC[NH+](C)CC2)c(C)c(C)[nH+]1 ZINC001158493749 1087867952 /nfs/dbraw/zinc/86/79/52/1087867952.db2.gz JNFZSBJVGKPEJQ-UHFFFAOYSA-N 2 2 302.466 3.245 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205110741 1087941786 /nfs/dbraw/zinc/94/17/86/1087941786.db2.gz ZIBFFXXENVERKK-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205110741 1087941807 /nfs/dbraw/zinc/94/18/07/1087941807.db2.gz ZIBFFXXENVERKK-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP Cn1c[nH+]cc1CN1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001204386085 1088004144 /nfs/dbraw/zinc/00/41/44/1088004144.db2.gz QBOFNZWWDGJAQI-IBGZPJMESA-N 2 2 324.472 3.049 20 0 DGADLP Cn1c[nH+]cc1CN1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001204386085 1088004161 /nfs/dbraw/zinc/00/41/61/1088004161.db2.gz QBOFNZWWDGJAQI-IBGZPJMESA-N 2 2 324.472 3.049 20 0 DGADLP C[C@H](c1ccccc1)N(Cc1c[nH+]cn1C)[C@@H]1C[NH+]2CCC1CC2 ZINC001204386192 1088005188 /nfs/dbraw/zinc/00/51/88/1088005188.db2.gz QYGGTEVVBCTGQC-OXQOHEQNSA-N 2 2 324.472 3.078 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124182 1088030668 /nfs/dbraw/zinc/03/06/68/1088030668.db2.gz KXFBRJCEUXPUGZ-GFCCVEGCSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124182 1088030686 /nfs/dbraw/zinc/03/06/86/1088030686.db2.gz KXFBRJCEUXPUGZ-GFCCVEGCSA-N 2 2 302.340 3.027 20 0 DGADLP Nc1ccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001159281338 1088266953 /nfs/dbraw/zinc/26/69/53/1088266953.db2.gz XTAGKTUJAAUJBY-UHFFFAOYSA-N 2 2 312.417 3.272 20 0 DGADLP Cc1c(F)ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c1F ZINC001159323602 1088294952 /nfs/dbraw/zinc/29/49/52/1088294952.db2.gz MLSUWJZRDDNDPQ-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP Cc1ccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c(C)[nH+]1 ZINC001159343875 1088306635 /nfs/dbraw/zinc/30/66/35/1088306635.db2.gz ONVNTAGPTFRYIT-UHFFFAOYSA-N 2 2 312.417 3.215 20 0 DGADLP CN(C)c1ccc(Nc2ccccc2OC2CC[NH2+]CC2)c[nH+]1 ZINC001159796350 1088488488 /nfs/dbraw/zinc/48/84/88/1088488488.db2.gz LCXYNHNKDFQXAH-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP c1[nH]c2c(cccc2Nc2ccccc2OC2CC[NH2+]CC2)[nH+]1 ZINC001159805210 1088497084 /nfs/dbraw/zinc/49/70/84/1088497084.db2.gz JMHKDYGCPKJLOM-UHFFFAOYSA-N 2 2 308.385 3.437 20 0 DGADLP Cc1cc(Nc2ccccc2N2CC[NH2+]CC2)ccc1[NH+](C)C ZINC001159813105 1088501748 /nfs/dbraw/zinc/50/17/48/1088501748.db2.gz RWNVKVUEYVZBJP-UHFFFAOYSA-N 2 2 310.445 3.214 20 0 DGADLP [NH3+][C@H]1Cc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2C1 ZINC001159827306 1088507863 /nfs/dbraw/zinc/50/78/63/1088507863.db2.gz LROFTINRKCTNHM-INIZCTEOSA-N 2 2 308.429 3.241 20 0 DGADLP CC[N@H+](CC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403777 1088598532 /nfs/dbraw/zinc/59/85/32/1088598532.db2.gz LPFKGVWMSRYOBD-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP CC[N@@H+](CC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403777 1088598545 /nfs/dbraw/zinc/59/85/45/1088598545.db2.gz LPFKGVWMSRYOBD-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP Fc1cccc(O[C@@H]2CC[NH2+]C2)c1Nc1cccc2[nH+]c[nH]c21 ZINC001160130143 1088656777 /nfs/dbraw/zinc/65/67/77/1088656777.db2.gz QDSDKSFWGCXOHB-LLVKDONJSA-N 2 2 312.348 3.186 20 0 DGADLP Fc1cccc(Nc2cccc3[nH+]c[nH]c32)c1O[C@@H]1CC[NH2+]C1 ZINC001160184072 1088690670 /nfs/dbraw/zinc/69/06/70/1088690670.db2.gz GTNOCXFTIVUAHO-LLVKDONJSA-N 2 2 312.348 3.186 20 0 DGADLP c1cn2ccc(Nc3ccccc3OCC3CC[NH2+]CC3)cc2[nH+]1 ZINC001160188245 1088692992 /nfs/dbraw/zinc/69/29/92/1088692992.db2.gz RCWVJQWSRZTQQQ-UHFFFAOYSA-N 2 2 322.412 3.456 20 0 DGADLP Cc1cc(N(Cc2ccccc2)C[C@H](C)C[NH3+])nc(C2CC2)[nH+]1 ZINC001160665190 1088910016 /nfs/dbraw/zinc/91/00/16/1088910016.db2.gz JHHLHNROXYOCSD-CQSZACIVSA-N 2 2 310.445 3.264 20 0 DGADLP Cc1c(Cl)cnc(Cl)c1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064374 1088928306 /nfs/dbraw/zinc/92/83/06/1088928306.db2.gz PVCJJVOXPNEZOD-UHFFFAOYSA-N 2 2 311.216 3.350 20 0 DGADLP Cc1cc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001155096650 1088944793 /nfs/dbraw/zinc/94/47/93/1088944793.db2.gz UKTGGPXUZWKAFK-SFHVURJKSA-N 2 2 322.456 3.328 20 0 DGADLP Cc1cc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001155096650 1088944804 /nfs/dbraw/zinc/94/48/04/1088944804.db2.gz UKTGGPXUZWKAFK-SFHVURJKSA-N 2 2 322.456 3.328 20 0 DGADLP COc1ccc2[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)c(C)cc2c1 ZINC001155115278 1088955368 /nfs/dbraw/zinc/95/53/68/1088955368.db2.gz NMPYFIQJBCOHEQ-GOSISDBHSA-N 2 2 317.408 3.446 20 0 DGADLP COc1ccc2ccc(NC[C@]3(F)CCCC[NH2+]C3)[nH+]c2c1 ZINC001155115739 1088956811 /nfs/dbraw/zinc/95/68/11/1088956811.db2.gz CMXUXJDRGFKHFO-KRWDZBQOSA-N 2 2 303.381 3.137 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001212997603 1089085908 /nfs/dbraw/zinc/08/59/08/1089085908.db2.gz KESOAQUVQPLFBJ-UHFFFAOYSA-N 2 2 312.417 3.118 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001212997603 1089085924 /nfs/dbraw/zinc/08/59/24/1089085924.db2.gz KESOAQUVQPLFBJ-UHFFFAOYSA-N 2 2 312.417 3.118 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236414035 1089096091 /nfs/dbraw/zinc/09/60/91/1089096091.db2.gz QDSAIVZHZCKPKG-IWIIMEHWSA-N 2 2 304.743 3.008 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236414035 1089096108 /nfs/dbraw/zinc/09/61/08/1089096108.db2.gz QDSAIVZHZCKPKG-IWIIMEHWSA-N 2 2 304.743 3.008 20 0 DGADLP CSc1nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc(C)[nH+]1 ZINC001155548494 1089155045 /nfs/dbraw/zinc/15/50/45/1089155045.db2.gz CXMNBFOXAFCFIW-HIFRSBDPSA-N 2 2 300.431 3.022 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](CC(C)(C)C)CC3)c2c1C ZINC001161207432 1089155695 /nfs/dbraw/zinc/15/56/95/1089155695.db2.gz PYCSZFLKVZRKPP-UHFFFAOYSA-N 2 2 315.465 3.497 20 0 DGADLP Cc1cccc2c(C)cc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC001155622035 1089190863 /nfs/dbraw/zinc/19/08/63/1089190863.db2.gz XXOKQCWVTACJGP-DNVCBOLYSA-N 2 2 311.429 3.175 20 0 DGADLP Cc1cc(N2CC[NH2+]C[C@@H]2c2cccs2)nc(C(C)C)[nH+]1 ZINC001156112283 1089391914 /nfs/dbraw/zinc/39/19/14/1089391914.db2.gz YENWBOAXBKMCMT-CYBMUJFWSA-N 2 2 302.447 3.121 20 0 DGADLP CCOC(=O)c1c(C)cc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]c1C ZINC001156389406 1089502727 /nfs/dbraw/zinc/50/27/27/1089502727.db2.gz PGZVMMPPIDXGCC-OAHLLOKOSA-N 2 2 319.449 3.019 20 0 DGADLP CCOC(=O)c1c(C)cc(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]c1C ZINC001156389406 1089502741 /nfs/dbraw/zinc/50/27/41/1089502741.db2.gz PGZVMMPPIDXGCC-OAHLLOKOSA-N 2 2 319.449 3.019 20 0 DGADLP C[NH+]1CCN(c2cccc(NCc3ccccc3C3CC3)[nH+]2)CC1 ZINC001156542100 1089574310 /nfs/dbraw/zinc/57/43/10/1089574310.db2.gz PKBKZALHSYIIAQ-UHFFFAOYSA-N 2 2 322.456 3.323 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1[nH+]ccc2[nH]ccc21 ZINC001156776262 1089689021 /nfs/dbraw/zinc/68/90/21/1089689021.db2.gz ZTUBWWSLXDPGBP-UHFFFAOYSA-N 2 2 303.369 3.385 20 0 DGADLP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)nc1N1CCCC1 ZINC001156927960 1089750203 /nfs/dbraw/zinc/75/02/03/1089750203.db2.gz HBJNXJUTDUZKAQ-INIZCTEOSA-N 2 2 317.481 3.062 20 0 DGADLP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)nc1N1CCCC1 ZINC001156927960 1089750214 /nfs/dbraw/zinc/75/02/14/1089750214.db2.gz HBJNXJUTDUZKAQ-INIZCTEOSA-N 2 2 317.481 3.062 20 0 DGADLP Cc1cc(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)nc(C)[nH+]1 ZINC001162686288 1089881262 /nfs/dbraw/zinc/88/12/62/1089881262.db2.gz PRRSPWIJGCOIIN-UHFFFAOYSA-N 2 2 316.493 3.430 20 0 DGADLP Nc1cccc(-n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)[nH+]1 ZINC001157359166 1089922920 /nfs/dbraw/zinc/92/29/20/1089922920.db2.gz JXRRDJZXOFGWJB-UHFFFAOYSA-N 2 2 310.376 3.214 20 0 DGADLP c1cc(-c2cc[nH+]c(NCc3ccc4c(c3)CC[NH2+]C4)c2)ccn1 ZINC001162795497 1089959310 /nfs/dbraw/zinc/95/93/10/1089959310.db2.gz MJTLONDAPLBQED-UHFFFAOYSA-N 2 2 316.408 3.401 20 0 DGADLP CCC[N@@H+](Cc1cc(F)c(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844450 1090071960 /nfs/dbraw/zinc/07/19/60/1090071960.db2.gz VAIBHGKDKKPQMD-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1cc(F)c(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844450 1090071970 /nfs/dbraw/zinc/07/19/70/1090071970.db2.gz VAIBHGKDKKPQMD-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCCc1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001157829488 1090123539 /nfs/dbraw/zinc/12/35/39/1090123539.db2.gz OXCQIXLUPCRPHE-UHFFFAOYSA-N 2 2 310.445 3.056 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163310726 1090147909 /nfs/dbraw/zinc/14/79/09/1090147909.db2.gz OIJRTBYYNWFQFN-ICSRJNTNSA-N 2 2 323.440 3.380 20 0 DGADLP C[C@@H]1CN(c2[nH+]c(N3CCCC3)cc3ccccc32)C[C@H](C)[NH2+]1 ZINC001158185978 1090197880 /nfs/dbraw/zinc/19/78/80/1090197880.db2.gz OONGXDGUAFAWET-GASCZTMLSA-N 2 2 310.445 3.022 20 0 DGADLP Cc1cccc(N2CCN(c3[nH+]ccc4ccccc43)CC2)[nH+]1 ZINC001163659374 1090225856 /nfs/dbraw/zinc/22/58/56/1090225856.db2.gz GCIWRUYAUFFEPS-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000299935884 1090273573 /nfs/dbraw/zinc/27/35/73/1090273573.db2.gz IYCGLALEZWITQC-MWLCHTKSSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC000299935884 1090273578 /nfs/dbraw/zinc/27/35/78/1090273578.db2.gz IYCGLALEZWITQC-MWLCHTKSSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(C[NH3+])nn1-c1cc[nH+]c2ccc(C(F)(F)F)cc21 ZINC001163985464 1090308016 /nfs/dbraw/zinc/30/80/16/1090308016.db2.gz RYNAFAIDBZMFGI-UHFFFAOYSA-N 2 2 306.291 3.206 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164491445 1090432583 /nfs/dbraw/zinc/43/25/83/1090432583.db2.gz DMZBMZUYYVLSKZ-OKZBNKHCSA-N 2 2 323.440 3.413 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164491445 1090432585 /nfs/dbraw/zinc/43/25/85/1090432585.db2.gz DMZBMZUYYVLSKZ-OKZBNKHCSA-N 2 2 323.440 3.413 20 0 DGADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC001165083103 1090462303 /nfs/dbraw/zinc/46/23/03/1090462303.db2.gz VQOUZRXWNULXAN-RBUKOAKNSA-N 2 2 307.441 3.409 20 0 DGADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC001165083103 1090462306 /nfs/dbraw/zinc/46/23/06/1090462306.db2.gz VQOUZRXWNULXAN-RBUKOAKNSA-N 2 2 307.441 3.409 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001165109974 1090466062 /nfs/dbraw/zinc/46/60/62/1090466062.db2.gz AALAMOCCNFBKQK-KRWDZBQOSA-N 2 2 315.461 3.039 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001165109974 1090466067 /nfs/dbraw/zinc/46/60/67/1090466067.db2.gz AALAMOCCNFBKQK-KRWDZBQOSA-N 2 2 315.461 3.039 20 0 DGADLP Cc1nc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc(C(C)C)[nH+]1 ZINC001165120121 1090467232 /nfs/dbraw/zinc/46/72/32/1090467232.db2.gz GRRGSZWNLBSNAI-UHFFFAOYSA-N 2 2 322.456 3.231 20 0 DGADLP Cc1ccc(C)c(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001165326559 1090504519 /nfs/dbraw/zinc/50/45/19/1090504519.db2.gz OGLUQCZSMCLYJG-UHFFFAOYSA-N 2 2 311.429 3.143 20 0 DGADLP Cc1[nH+]c2c(n1-c1ccc3c(Cl)cccc3n1)CC[NH2+]CC2 ZINC001165353511 1090510467 /nfs/dbraw/zinc/51/04/67/1090510467.db2.gz QCKWMUOMZDIIMS-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP [NH3+]CC[C@H]1CN(c2cc(OCC3CC3)cc[nH+]2)c2ccccc21 ZINC001168544763 1090526115 /nfs/dbraw/zinc/52/61/15/1090526115.db2.gz RTAYSNVQQWJZFS-HNNXBMFYSA-N 2 2 309.413 3.455 20 0 DGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001203800543 1090809108 /nfs/dbraw/zinc/80/91/08/1090809108.db2.gz UNGGUNQZEAKHPQ-UHFFFAOYSA-N 2 2 323.912 3.190 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001204018465 1090869932 /nfs/dbraw/zinc/86/99/32/1090869932.db2.gz ZBJGUMKVXYUVAR-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)n1 ZINC001204067258 1090890797 /nfs/dbraw/zinc/89/07/97/1090890797.db2.gz QQQFURQQOXQTTN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)n1 ZINC001204067258 1090890808 /nfs/dbraw/zinc/89/08/08/1090890808.db2.gz QQQFURQQOXQTTN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)n1 ZINC001204067258 1090890816 /nfs/dbraw/zinc/89/08/16/1090890816.db2.gz QQQFURQQOXQTTN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)n1 ZINC001204067258 1090890827 /nfs/dbraw/zinc/89/08/27/1090890827.db2.gz QQQFURQQOXQTTN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1C ZINC001204352480 1090953573 /nfs/dbraw/zinc/95/35/73/1090953573.db2.gz SLWUHBBZFNJABB-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204398293 1090961843 /nfs/dbraw/zinc/96/18/43/1090961843.db2.gz YPECKYNHFLKMSP-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204398293 1090961846 /nfs/dbraw/zinc/96/18/46/1090961846.db2.gz YPECKYNHFLKMSP-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204398293 1090961848 /nfs/dbraw/zinc/96/18/48/1090961848.db2.gz YPECKYNHFLKMSP-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204398293 1090961850 /nfs/dbraw/zinc/96/18/50/1090961850.db2.gz YPECKYNHFLKMSP-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP C[NH+](C)CCCCNc1ccc(C2(C(F)(F)F)CC2)c[nH+]1 ZINC001161728830 1090986847 /nfs/dbraw/zinc/98/68/47/1090986847.db2.gz YHHPYRDLBOBYFL-UHFFFAOYSA-N 2 2 301.356 3.429 20 0 DGADLP Cc1ccc(C)c(Nc2ccc(CN3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001204733902 1091024725 /nfs/dbraw/zinc/02/47/25/1091024725.db2.gz IFEYFJUCIBRPKQ-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204810300 1091040879 /nfs/dbraw/zinc/04/08/79/1091040879.db2.gz RMAQVRICXZRURF-IBGZPJMESA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204810300 1091040885 /nfs/dbraw/zinc/04/08/85/1091040885.db2.gz RMAQVRICXZRURF-IBGZPJMESA-N 2 2 314.404 3.424 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c2c(OC)cccc12 ZINC001204938480 1091067385 /nfs/dbraw/zinc/06/73/85/1091067385.db2.gz LTGLLEOZAHRVOP-LJQANCHMSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c2c(OC)cccc12 ZINC001204938480 1091067392 /nfs/dbraw/zinc/06/73/92/1091067392.db2.gz LTGLLEOZAHRVOP-LJQANCHMSA-N 2 2 314.429 3.170 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204982733 1091076130 /nfs/dbraw/zinc/07/61/30/1091076130.db2.gz HCYRUIRQMQOYKV-UHFFFAOYSA-N 2 2 321.428 3.138 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001205008933 1091082523 /nfs/dbraw/zinc/08/25/23/1091082523.db2.gz HFIPPCWZMAEEDJ-LBPRGKRZSA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001205008933 1091082530 /nfs/dbraw/zinc/08/25/30/1091082530.db2.gz HFIPPCWZMAEEDJ-LBPRGKRZSA-N 2 2 320.330 3.156 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC001205150350 1091113778 /nfs/dbraw/zinc/11/37/78/1091113778.db2.gz ABXDQIKZOKCNKB-WCQYABFASA-N 2 2 321.877 3.490 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC001205150350 1091113782 /nfs/dbraw/zinc/11/37/82/1091113782.db2.gz ABXDQIKZOKCNKB-WCQYABFASA-N 2 2 321.877 3.490 20 0 DGADLP C[NH+](C)CCCOc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001205225409 1091136924 /nfs/dbraw/zinc/13/69/24/1091136924.db2.gz HTFAVMAQLCQGLM-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP CC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001138451163 1091189911 /nfs/dbraw/zinc/18/99/11/1091189911.db2.gz YAVTWLJXHYGYOJ-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001138451163 1091189915 /nfs/dbraw/zinc/18/99/15/1091189915.db2.gz YAVTWLJXHYGYOJ-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP COc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2c1 ZINC001138503730 1091207709 /nfs/dbraw/zinc/20/77/09/1091207709.db2.gz JVNRHCBHIBGTRP-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431824 1091219185 /nfs/dbraw/zinc/21/91/85/1091219185.db2.gz UDRMNLHPWJNWFQ-ZIFCJYIRSA-N 2 2 303.494 3.060 20 0 DGADLP CC[N@H+]1CCC[C@H](N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431824 1091219196 /nfs/dbraw/zinc/21/91/96/1091219196.db2.gz UDRMNLHPWJNWFQ-ZIFCJYIRSA-N 2 2 303.494 3.060 20 0 DGADLP c1ccc(N2CCCC2)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001138610854 1091253027 /nfs/dbraw/zinc/25/30/27/1091253027.db2.gz WHMYNASEPKKKEB-UHFFFAOYSA-N 2 2 313.489 3.347 20 0 DGADLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001205558438 1091254308 /nfs/dbraw/zinc/25/43/08/1091254308.db2.gz FKMCAQKJKADMIH-LLVKDONJSA-N 2 2 312.241 3.103 20 0 DGADLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001205558438 1091254313 /nfs/dbraw/zinc/25/43/13/1091254313.db2.gz FKMCAQKJKADMIH-LLVKDONJSA-N 2 2 312.241 3.103 20 0 DGADLP CCCn1ncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001138641012 1091271563 /nfs/dbraw/zinc/27/15/63/1091271563.db2.gz GFZNLRYYPMPHJM-UHFFFAOYSA-N 2 2 318.509 3.440 20 0 DGADLP CCCn1ncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001138641012 1091271570 /nfs/dbraw/zinc/27/15/70/1091271570.db2.gz GFZNLRYYPMPHJM-UHFFFAOYSA-N 2 2 318.509 3.440 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205796754 1091354531 /nfs/dbraw/zinc/35/45/31/1091354531.db2.gz TVYHOXCNVLXWCS-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP c1cc2cccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)n2n1 ZINC001138806903 1091337506 /nfs/dbraw/zinc/33/75/06/1091337506.db2.gz SRTVSQWJOGWTRW-QGZVFWFLSA-N 2 2 312.461 3.175 20 0 DGADLP c1cc2cccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)n2n1 ZINC001138806903 1091337517 /nfs/dbraw/zinc/33/75/17/1091337517.db2.gz SRTVSQWJOGWTRW-QGZVFWFLSA-N 2 2 312.461 3.175 20 0 DGADLP Cc1nc2cc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2s1 ZINC001205788885 1091347882 /nfs/dbraw/zinc/34/78/82/1091347882.db2.gz SSQUTZGJJVKRQN-LBPRGKRZSA-N 2 2 311.401 3.021 20 0 DGADLP Cc1nc2cc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2s1 ZINC001205788885 1091347890 /nfs/dbraw/zinc/34/78/90/1091347890.db2.gz SSQUTZGJJVKRQN-LBPRGKRZSA-N 2 2 311.401 3.021 20 0 DGADLP CSc1cc(C)cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205795207 1091352947 /nfs/dbraw/zinc/35/29/47/1091352947.db2.gz DUUOQBRAKKRGFA-CYBMUJFWSA-N 2 2 300.418 3.133 20 0 DGADLP CSc1cc(C)cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205795207 1091352957 /nfs/dbraw/zinc/35/29/57/1091352957.db2.gz DUUOQBRAKKRGFA-CYBMUJFWSA-N 2 2 300.418 3.133 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205796754 1091354520 /nfs/dbraw/zinc/35/45/20/1091354520.db2.gz TVYHOXCNVLXWCS-CYBMUJFWSA-N 2 2 302.796 3.373 20 0 DGADLP c1ccc2nc(C[N@@H+]3CCC[C@H](Oc4cc[nH+]cc4)C3)cnc2c1 ZINC001138866273 1091359721 /nfs/dbraw/zinc/35/97/21/1091359721.db2.gz AMUXQJHMAAJDDY-KRWDZBQOSA-N 2 2 320.396 3.068 20 0 DGADLP c1ccc2nc(C[N@H+]3CCC[C@H](Oc4cc[nH+]cc4)C3)cnc2c1 ZINC001138866273 1091359733 /nfs/dbraw/zinc/35/97/33/1091359733.db2.gz AMUXQJHMAAJDDY-KRWDZBQOSA-N 2 2 320.396 3.068 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205828185 1091369227 /nfs/dbraw/zinc/36/92/27/1091369227.db2.gz JYJRDNRGAAADAY-SMDDNHRTSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205828185 1091369234 /nfs/dbraw/zinc/36/92/34/1091369234.db2.gz JYJRDNRGAAADAY-SMDDNHRTSA-N 2 2 316.367 3.453 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830026 1091369524 /nfs/dbraw/zinc/36/95/24/1091369524.db2.gz QSBIJCXGRDEXBH-ZIAGYGMSSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830026 1091369532 /nfs/dbraw/zinc/36/95/32/1091369532.db2.gz QSBIJCXGRDEXBH-ZIAGYGMSSA-N 2 2 301.459 3.369 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205828184 1091370076 /nfs/dbraw/zinc/37/00/76/1091370076.db2.gz JYJRDNRGAAADAY-RISCZKNCSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205828184 1091370086 /nfs/dbraw/zinc/37/00/86/1091370086.db2.gz JYJRDNRGAAADAY-RISCZKNCSA-N 2 2 316.367 3.453 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205855672 1091380017 /nfs/dbraw/zinc/38/00/17/1091380017.db2.gz PAMNVZYXSWIBEH-YJBOKZPZSA-N 3 2 313.489 3.247 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205855672 1091380026 /nfs/dbraw/zinc/38/00/26/1091380026.db2.gz PAMNVZYXSWIBEH-YJBOKZPZSA-N 3 2 313.489 3.247 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901156 1091399248 /nfs/dbraw/zinc/39/92/48/1091399248.db2.gz BKGQOADRJLWGOO-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901156 1091399255 /nfs/dbraw/zinc/39/92/55/1091399255.db2.gz BKGQOADRJLWGOO-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3F)cc2)C[C@H]1[NH3+] ZINC001206070177 1091477818 /nfs/dbraw/zinc/47/78/18/1091477818.db2.gz CVOFEFHANBLPKL-RDTXWAMCSA-N 2 2 313.420 3.373 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3F)cc2)C[C@H]1[NH3+] ZINC001206070177 1091477828 /nfs/dbraw/zinc/47/78/28/1091477828.db2.gz CVOFEFHANBLPKL-RDTXWAMCSA-N 2 2 313.420 3.373 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2c1 ZINC001206163370 1091515600 /nfs/dbraw/zinc/51/56/00/1091515600.db2.gz BWTVJEWXDSNPMW-HUUCEWRRSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2c1 ZINC001206163370 1091515613 /nfs/dbraw/zinc/51/56/13/1091515613.db2.gz BWTVJEWXDSNPMW-HUUCEWRRSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206163367 1091515684 /nfs/dbraw/zinc/51/56/84/1091515684.db2.gz BWTVJEWXDSNPMW-GJZGRUSLSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206163367 1091515705 /nfs/dbraw/zinc/51/57/05/1091515705.db2.gz BWTVJEWXDSNPMW-GJZGRUSLSA-N 2 2 321.827 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@@H]1F ZINC001206167308 1091517290 /nfs/dbraw/zinc/51/72/90/1091517290.db2.gz YGEAVQOMLPACOR-LSDHHAIUSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@@H]1F ZINC001206167308 1091517295 /nfs/dbraw/zinc/51/72/95/1091517295.db2.gz YGEAVQOMLPACOR-LSDHHAIUSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1F ZINC001206167528 1091518757 /nfs/dbraw/zinc/51/87/57/1091518757.db2.gz ZSBSPYXHIIXTQR-KGLIPLIRSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1F ZINC001206167528 1091518764 /nfs/dbraw/zinc/51/87/64/1091518764.db2.gz ZSBSPYXHIIXTQR-KGLIPLIRSA-N 2 2 307.800 3.149 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197207 1091530476 /nfs/dbraw/zinc/53/04/76/1091530476.db2.gz GTJWWMWAKOFMDS-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197207 1091530482 /nfs/dbraw/zinc/53/04/82/1091530482.db2.gz GTJWWMWAKOFMDS-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356182 1091531700 /nfs/dbraw/zinc/53/17/00/1091531700.db2.gz HOVRHBDFJWJDOE-UHFFFAOYSA-N 2 2 305.381 3.136 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](COCC4CC4)C3)cc2)c[nH+]1 ZINC001139360637 1091534438 /nfs/dbraw/zinc/53/44/38/1091534438.db2.gz AHTLJPZJLBEKSB-SFHVURJKSA-N 2 2 311.429 3.121 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](COCC4CC4)C3)cc2)c[nH+]1 ZINC001139360637 1091534445 /nfs/dbraw/zinc/53/44/45/1091534445.db2.gz AHTLJPZJLBEKSB-SFHVURJKSA-N 2 2 311.429 3.121 20 0 DGADLP CC(C)[N@H+](CCCCCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360996 1091535623 /nfs/dbraw/zinc/53/56/23/1091535623.db2.gz KDCATZIZCHAPKC-UHFFFAOYSA-N 2 2 301.434 3.245 20 0 DGADLP CC(C)[N@@H+](CCCCCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360996 1091535630 /nfs/dbraw/zinc/53/56/30/1091535630.db2.gz KDCATZIZCHAPKC-UHFFFAOYSA-N 2 2 301.434 3.245 20 0 DGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206211380 1091538026 /nfs/dbraw/zinc/53/80/26/1091538026.db2.gz NZONUVDYIQLPFL-STQMWFEESA-N 2 2 302.846 3.323 20 0 DGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206211380 1091538037 /nfs/dbraw/zinc/53/80/37/1091538037.db2.gz NZONUVDYIQLPFL-STQMWFEESA-N 2 2 302.846 3.323 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001206215040 1091538082 /nfs/dbraw/zinc/53/80/82/1091538082.db2.gz JWNPTQATXLHDRA-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001206215040 1091538091 /nfs/dbraw/zinc/53/80/91/1091538091.db2.gz JWNPTQATXLHDRA-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC001206258369 1091553464 /nfs/dbraw/zinc/55/34/64/1091553464.db2.gz XMNQKHKEQUETJB-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC001206258369 1091553472 /nfs/dbraw/zinc/55/34/72/1091553472.db2.gz XMNQKHKEQUETJB-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001206286406 1091563536 /nfs/dbraw/zinc/56/35/36/1091563536.db2.gz UJKKRMIZCSCMQD-OAHLLOKOSA-N 2 2 312.413 3.226 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001206286406 1091563544 /nfs/dbraw/zinc/56/35/44/1091563544.db2.gz UJKKRMIZCSCMQD-OAHLLOKOSA-N 2 2 312.413 3.226 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001206328498 1091581020 /nfs/dbraw/zinc/58/10/20/1091581020.db2.gz KDKHOZQNEFPYEF-MJGOQNOKSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC001206328498 1091581028 /nfs/dbraw/zinc/58/10/28/1091581028.db2.gz KDKHOZQNEFPYEF-MJGOQNOKSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2c1 ZINC001206344730 1091587289 /nfs/dbraw/zinc/58/72/89/1091587289.db2.gz XOSOGRKGEJCUJW-SFHVURJKSA-N 2 2 301.409 3.196 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2c1 ZINC001206344730 1091587301 /nfs/dbraw/zinc/58/73/01/1091587301.db2.gz XOSOGRKGEJCUJW-SFHVURJKSA-N 2 2 301.409 3.196 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1C(C)C ZINC001139624678 1091626568 /nfs/dbraw/zinc/62/65/68/1091626568.db2.gz RYETYDAPAZIINV-VQIMIIECSA-N 2 2 302.462 3.202 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1C(C)C ZINC001139624678 1091626573 /nfs/dbraw/zinc/62/65/73/1091626573.db2.gz RYETYDAPAZIINV-VQIMIIECSA-N 2 2 302.462 3.202 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cscc2Br)C1 ZINC001206555345 1091667094 /nfs/dbraw/zinc/66/70/94/1091667094.db2.gz JGZZZBZHCLBPDK-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cscc2Br)C1 ZINC001206555345 1091667099 /nfs/dbraw/zinc/66/70/99/1091667099.db2.gz JGZZZBZHCLBPDK-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP COc1c(F)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001206563439 1091670453 /nfs/dbraw/zinc/67/04/53/1091670453.db2.gz COJAWQVBSNPIGL-MRXNPFEDSA-N 2 2 314.832 3.439 20 0 DGADLP COc1c(F)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001206563439 1091670457 /nfs/dbraw/zinc/67/04/57/1091670457.db2.gz COJAWQVBSNPIGL-MRXNPFEDSA-N 2 2 314.832 3.439 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1O ZINC001206563694 1091670554 /nfs/dbraw/zinc/67/05/54/1091670554.db2.gz HJACTOHHXVYOKV-INIZCTEOSA-N 2 2 312.841 3.005 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1O ZINC001206563694 1091670556 /nfs/dbraw/zinc/67/05/56/1091670556.db2.gz HJACTOHHXVYOKV-INIZCTEOSA-N 2 2 312.841 3.005 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cn4)C[C@H]3C2)cc1 ZINC001139837072 1091686497 /nfs/dbraw/zinc/68/64/97/1091686497.db2.gz IZYMPUFQEBDCAW-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)nc1 ZINC001139839428 1091687095 /nfs/dbraw/zinc/68/70/95/1091687095.db2.gz DWIIQNIDQTWWRY-HZPDHXFCSA-N 2 2 313.470 3.015 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001206616431 1091690113 /nfs/dbraw/zinc/69/01/13/1091690113.db2.gz OEBNQLWWJFNIMC-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC001206616431 1091690118 /nfs/dbraw/zinc/69/01/18/1091690118.db2.gz OEBNQLWWJFNIMC-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934117 1091717636 /nfs/dbraw/zinc/71/76/36/1091717636.db2.gz DLHCDRZZVYOYGX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934117 1091717641 /nfs/dbraw/zinc/71/76/41/1091717641.db2.gz DLHCDRZZVYOYGX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934117 1091717645 /nfs/dbraw/zinc/71/76/45/1091717645.db2.gz DLHCDRZZVYOYGX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934117 1091717649 /nfs/dbraw/zinc/71/76/49/1091717649.db2.gz DLHCDRZZVYOYGX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(-c2cccc(Cl)c2)ncc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206745301 1091721874 /nfs/dbraw/zinc/72/18/74/1091721874.db2.gz TYWXHDIOESNVAZ-UHFFFAOYSA-N 2 2 315.848 3.491 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001140027089 1091744030 /nfs/dbraw/zinc/74/40/30/1091744030.db2.gz XYJZVYMQCRSOBR-HNNXBMFYSA-N 2 2 317.433 3.210 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ncccc2C1 ZINC001140027866 1091744717 /nfs/dbraw/zinc/74/47/17/1091744717.db2.gz DXFHWZSMRYOVRC-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ncccc2C1 ZINC001140027866 1091744721 /nfs/dbraw/zinc/74/47/21/1091744721.db2.gz DXFHWZSMRYOVRC-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498215 1091771213 /nfs/dbraw/zinc/77/12/13/1091771213.db2.gz SUWRQINOAOBGJI-AZUAARDMSA-N 3 2 319.537 3.059 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498215 1091771221 /nfs/dbraw/zinc/77/12/21/1091771221.db2.gz SUWRQINOAOBGJI-AZUAARDMSA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498215 1091771227 /nfs/dbraw/zinc/77/12/27/1091771227.db2.gz SUWRQINOAOBGJI-AZUAARDMSA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498215 1091771234 /nfs/dbraw/zinc/77/12/34/1091771234.db2.gz SUWRQINOAOBGJI-AZUAARDMSA-N 3 2 319.537 3.059 20 0 DGADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c(C)cc1O ZINC001140197156 1091798534 /nfs/dbraw/zinc/79/85/34/1091798534.db2.gz IEUSDBLCVZDQJM-UHFFFAOYSA-N 2 2 312.413 3.447 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]c2cccc(O)c12)C1CC[NH+](C)CC1 ZINC001140236887 1091805389 /nfs/dbraw/zinc/80/53/89/1091805389.db2.gz NBGQOSAJZFUUCZ-UHFFFAOYSA-N 2 2 301.434 3.178 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]c2cccc(O)c12)C1CC[NH+](C)CC1 ZINC001140236887 1091805394 /nfs/dbraw/zinc/80/53/94/1091805394.db2.gz NBGQOSAJZFUUCZ-UHFFFAOYSA-N 2 2 301.434 3.178 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2C1 ZINC001140437687 1091866258 /nfs/dbraw/zinc/86/62/58/1091866258.db2.gz IFVUJVNZDIBLGO-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2C1 ZINC001140437687 1091866267 /nfs/dbraw/zinc/86/62/67/1091866267.db2.gz IFVUJVNZDIBLGO-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2C1 ZINC001140437687 1091866277 /nfs/dbraw/zinc/86/62/77/1091866277.db2.gz IFVUJVNZDIBLGO-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2C1 ZINC001140437687 1091866282 /nfs/dbraw/zinc/86/62/82/1091866282.db2.gz IFVUJVNZDIBLGO-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CCCCC4)C[C@H]3C2)nc1 ZINC001207259688 1091901727 /nfs/dbraw/zinc/90/17/27/1091901727.db2.gz OKKFHBLRJALAEE-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCCCC4)C[C@H]3C2)nc1 ZINC001207259688 1091901736 /nfs/dbraw/zinc/90/17/36/1091901736.db2.gz OKKFHBLRJALAEE-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)nc1 ZINC001207259688 1091901743 /nfs/dbraw/zinc/90/17/43/1091901743.db2.gz OKKFHBLRJALAEE-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)nc1 ZINC001207259688 1091901752 /nfs/dbraw/zinc/90/17/52/1091901752.db2.gz OKKFHBLRJALAEE-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP C[NH+](C)CC(C)(C)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001207285904 1091909849 /nfs/dbraw/zinc/90/98/49/1091909849.db2.gz PTKJCPOEOQBBLZ-UHFFFAOYSA-N 2 2 323.912 3.045 20 0 DGADLP CC1(C)C[C@@H](C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCO1 ZINC001207352158 1091933884 /nfs/dbraw/zinc/93/38/84/1091933884.db2.gz DVXNTICPTCEGLB-HNNXBMFYSA-N 2 2 304.434 3.130 20 0 DGADLP CC/C=C\CC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276526470 1091935758 /nfs/dbraw/zinc/93/57/58/1091935758.db2.gz RZMXTXIBAWKPCI-LLHWWHOWSA-N 2 2 306.494 3.452 20 0 DGADLP CC/C=C\CC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276526470 1091935763 /nfs/dbraw/zinc/93/57/63/1091935763.db2.gz RZMXTXIBAWKPCI-LLHWWHOWSA-N 2 2 306.494 3.452 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001276526470 1091935765 /nfs/dbraw/zinc/93/57/65/1091935765.db2.gz RZMXTXIBAWKPCI-LLHWWHOWSA-N 2 2 306.494 3.452 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001276526470 1091935770 /nfs/dbraw/zinc/93/57/70/1091935770.db2.gz RZMXTXIBAWKPCI-LLHWWHOWSA-N 2 2 306.494 3.452 20 0 DGADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc(C)c1O ZINC001140658383 1091947592 /nfs/dbraw/zinc/94/75/92/1091947592.db2.gz WNOOGNOSFZARCX-UHFFFAOYSA-N 2 2 312.413 3.447 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716290611 1091952605 /nfs/dbraw/zinc/95/26/05/1091952605.db2.gz OKXAADQBELOWKI-MRXNPFEDSA-N 2 2 312.432 3.478 20 0 DGADLP Clc1ncc2ccccc2c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001140724037 1091974239 /nfs/dbraw/zinc/97/42/39/1091974239.db2.gz LEPPEKXVOWZWTB-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP Clc1ncc2ccccc2c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001140724037 1091974244 /nfs/dbraw/zinc/97/42/44/1091974244.db2.gz LEPPEKXVOWZWTB-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP COc1ccccc1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001207458214 1091975420 /nfs/dbraw/zinc/97/54/20/1091975420.db2.gz PEUQOURCXIUPNI-QGZVFWFLSA-N 2 2 312.413 3.094 20 0 DGADLP COc1ccccc1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001207458214 1091975426 /nfs/dbraw/zinc/97/54/26/1091975426.db2.gz PEUQOURCXIUPNI-QGZVFWFLSA-N 2 2 312.413 3.094 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207470580 1091979047 /nfs/dbraw/zinc/97/90/47/1091979047.db2.gz STFABDUEIQFAPP-MRXNPFEDSA-N 2 2 320.452 3.149 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207470580 1091979054 /nfs/dbraw/zinc/97/90/54/1091979054.db2.gz STFABDUEIQFAPP-MRXNPFEDSA-N 2 2 320.452 3.149 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001140802153 1092007664 /nfs/dbraw/zinc/00/76/64/1092007664.db2.gz OXGQVRLXWVXOMS-UHFFFAOYSA-N 2 2 322.412 3.249 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538668 1092008699 /nfs/dbraw/zinc/00/86/99/1092008699.db2.gz FIPOYJFJUKIUJT-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538668 1092008714 /nfs/dbraw/zinc/00/87/14/1092008714.db2.gz FIPOYJFJUKIUJT-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538668 1092008725 /nfs/dbraw/zinc/00/87/25/1092008725.db2.gz FIPOYJFJUKIUJT-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538668 1092008736 /nfs/dbraw/zinc/00/87/36/1092008736.db2.gz FIPOYJFJUKIUJT-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP Nc1cccc(F)c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140875187 1092043283 /nfs/dbraw/zinc/04/32/83/1092043283.db2.gz ZVIXWNXKPRMELU-HNNXBMFYSA-N 2 2 305.441 3.248 20 0 DGADLP Nc1cccc(F)c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140875187 1092043289 /nfs/dbraw/zinc/04/32/89/1092043289.db2.gz ZVIXWNXKPRMELU-HNNXBMFYSA-N 2 2 305.441 3.248 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206623271 1092045634 /nfs/dbraw/zinc/04/56/34/1092045634.db2.gz KRLNRQKWICINPT-LBPRGKRZSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206623271 1092045643 /nfs/dbraw/zinc/04/56/43/1092045643.db2.gz KRLNRQKWICINPT-LBPRGKRZSA-N 2 2 316.367 3.275 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141006986 1092104676 /nfs/dbraw/zinc/10/46/76/1092104676.db2.gz SKNZRSZZWQZTEY-RDTXWAMCSA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141006986 1092104681 /nfs/dbraw/zinc/10/46/81/1092104681.db2.gz SKNZRSZZWQZTEY-RDTXWAMCSA-N 2 2 313.470 3.194 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CCCC3CCCC3)CC2)c1 ZINC001208093817 1092194879 /nfs/dbraw/zinc/19/48/79/1092194879.db2.gz BYGZZZWRNGRFJS-UHFFFAOYSA-N 2 2 303.450 3.183 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208112127 1092200823 /nfs/dbraw/zinc/20/08/23/1092200823.db2.gz QYZDBDVNPIRRJX-UHFFFAOYSA-N 3 2 312.461 3.036 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208112127 1092200829 /nfs/dbraw/zinc/20/08/29/1092200829.db2.gz QYZDBDVNPIRRJX-UHFFFAOYSA-N 3 2 312.461 3.036 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@H]3CCC(C)=C[C@H]3C)CC2)nc(C)[nH+]1 ZINC001208174830 1092241664 /nfs/dbraw/zinc/24/16/64/1092241664.db2.gz KZYVIDGWEVJWAS-CRAIPNDOSA-N 2 2 314.477 3.208 20 0 DGADLP [NH3+]CCN(c1cccnc1)c1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001168838507 1092392400 /nfs/dbraw/zinc/39/24/00/1092392400.db2.gz ZNSINPNKFFRABN-UHFFFAOYSA-N 2 2 322.334 3.167 20 0 DGADLP Cc1ccc([C@H](C)Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)nc1 ZINC001168859688 1092401965 /nfs/dbraw/zinc/40/19/65/1092401965.db2.gz DQEWQBPKZCKETB-DOTOQJQBSA-N 2 2 310.445 3.096 20 0 DGADLP Cc1ccc([C@H](C)Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)nc1 ZINC001168859688 1092401974 /nfs/dbraw/zinc/40/19/74/1092401974.db2.gz DQEWQBPKZCKETB-DOTOQJQBSA-N 2 2 310.445 3.096 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613171 1092429224 /nfs/dbraw/zinc/42/92/24/1092429224.db2.gz QRBFWNFMEXQZGJ-YOEHRIQHSA-N 2 2 308.466 3.257 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613171 1092429230 /nfs/dbraw/zinc/42/92/30/1092429230.db2.gz QRBFWNFMEXQZGJ-YOEHRIQHSA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613171 1092429238 /nfs/dbraw/zinc/42/92/38/1092429238.db2.gz QRBFWNFMEXQZGJ-YOEHRIQHSA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613171 1092429245 /nfs/dbraw/zinc/42/92/45/1092429245.db2.gz QRBFWNFMEXQZGJ-YOEHRIQHSA-N 2 2 308.466 3.257 20 0 DGADLP CCCC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648242 1092440344 /nfs/dbraw/zinc/44/03/44/1092440344.db2.gz GXJWLLLPDSAIRS-MRXNPFEDSA-N 2 2 303.450 3.001 20 0 DGADLP C[N@H+]1CC=C(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)CC1 ZINC001208718379 1092471600 /nfs/dbraw/zinc/47/16/00/1092471600.db2.gz LDOXCZDTYJFGAF-UHFFFAOYSA-N 2 2 304.394 3.060 20 0 DGADLP C[N@@H+]1CC=C(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)CC1 ZINC001208718379 1092471608 /nfs/dbraw/zinc/47/16/08/1092471608.db2.gz LDOXCZDTYJFGAF-UHFFFAOYSA-N 2 2 304.394 3.060 20 0 DGADLP CCCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001142364020 1092471994 /nfs/dbraw/zinc/47/19/94/1092471994.db2.gz AOEVABKVPHXXPE-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP c1c(CCNc2cc(N3CCCCC3)cc[nH+]2)[nH+]c2ccccn12 ZINC001169001902 1092481159 /nfs/dbraw/zinc/48/11/59/1092481159.db2.gz DFNLANXMTWMGLK-UHFFFAOYSA-N 2 2 321.428 3.374 20 0 DGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736415 1092484248 /nfs/dbraw/zinc/48/42/48/1092484248.db2.gz ZHHIMYBYWVMNOA-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736415 1092484255 /nfs/dbraw/zinc/48/42/55/1092484255.db2.gz ZHHIMYBYWVMNOA-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208736415 1092484259 /nfs/dbraw/zinc/48/42/59/1092484259.db2.gz ZHHIMYBYWVMNOA-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208736415 1092484264 /nfs/dbraw/zinc/48/42/64/1092484264.db2.gz ZHHIMYBYWVMNOA-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001204019501 1092485433 /nfs/dbraw/zinc/48/54/33/1092485433.db2.gz GTULRRYXXWIYKN-HOTGVXAUSA-N 2 2 313.470 3.015 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCc2ccc(OC)c(OC)c2)CC1 ZINC001208755339 1092490580 /nfs/dbraw/zinc/49/05/80/1092490580.db2.gz DSUBICMEFCXZJM-UHFFFAOYSA-N 2 2 320.477 3.053 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001169123051 1092545270 /nfs/dbraw/zinc/54/52/70/1092545270.db2.gz IGZHBKMCHQWGBL-RSPOEFSDSA-N 3 2 317.521 3.022 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001169123051 1092545278 /nfs/dbraw/zinc/54/52/78/1092545278.db2.gz IGZHBKMCHQWGBL-RSPOEFSDSA-N 3 2 317.521 3.022 20 0 DGADLP CC1(C)C[C@@H](Nc2ccc3c([nH+]2)CCOC3)C[C@](C)(C[NH3+])C1 ZINC001169139511 1092551166 /nfs/dbraw/zinc/55/11/66/1092551166.db2.gz BHYHDTPGMVTJSW-KDOFPFPSSA-N 2 2 303.450 3.110 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208883850 1092562489 /nfs/dbraw/zinc/56/24/89/1092562489.db2.gz ZETGHURVOWUGCR-GOSISDBHSA-N 2 2 318.436 3.415 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208883850 1092562499 /nfs/dbraw/zinc/56/24/99/1092562499.db2.gz ZETGHURVOWUGCR-GOSISDBHSA-N 2 2 318.436 3.415 20 0 DGADLP c1cn(C2CC[NH+](CC3CCN(c4ccccc4)CC3)CC2)c[nH+]1 ZINC001208911917 1092583630 /nfs/dbraw/zinc/58/36/30/1092583630.db2.gz IJGXWVPINHLFNL-UHFFFAOYSA-N 2 2 324.472 3.437 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC34COC4)C2)cc1 ZINC001208935499 1092595658 /nfs/dbraw/zinc/59/56/58/1092595658.db2.gz KOEDPZMIUVXAON-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC34COC4)C2)cc1 ZINC001208935499 1092595671 /nfs/dbraw/zinc/59/56/71/1092595671.db2.gz KOEDPZMIUVXAON-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCCC34COC4)C2)cc1 ZINC001208935499 1092595679 /nfs/dbraw/zinc/59/56/79/1092595679.db2.gz KOEDPZMIUVXAON-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCCC34COC4)C2)cc1 ZINC001208935499 1092595689 /nfs/dbraw/zinc/59/56/89/1092595689.db2.gz KOEDPZMIUVXAON-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3[nH+]ccn3c2)CC1 ZINC001143028296 1092607889 /nfs/dbraw/zinc/60/78/89/1092607889.db2.gz YVHNKMOEEDAZRG-QGZVFWFLSA-N 2 2 320.440 3.213 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2cc(F)cc(F)c2)C1 ZINC001209131816 1092666155 /nfs/dbraw/zinc/66/61/55/1092666155.db2.gz CSCIZFXNWOGHTN-QGZVFWFLSA-N 2 2 318.367 3.364 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2cc(F)cc(F)c2)C1 ZINC001209131816 1092666157 /nfs/dbraw/zinc/66/61/57/1092666157.db2.gz CSCIZFXNWOGHTN-QGZVFWFLSA-N 2 2 318.367 3.364 20 0 DGADLP C[NH+]1CCC([N@H+](CCCc2cccnc2)C2CCCC2)CC1 ZINC001209180660 1092683030 /nfs/dbraw/zinc/68/30/30/1092683030.db2.gz FKFYPQRWXVSQQH-UHFFFAOYSA-N 2 2 301.478 3.353 20 0 DGADLP C[NH+]1CCC([N@@H+](CCCc2cccnc2)C2CCCC2)CC1 ZINC001209180660 1092683031 /nfs/dbraw/zinc/68/30/31/1092683031.db2.gz FKFYPQRWXVSQQH-UHFFFAOYSA-N 2 2 301.478 3.353 20 0 DGADLP Fc1cc(F)c(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC001209253861 1092714423 /nfs/dbraw/zinc/71/44/23/1092714423.db2.gz YXXXJFJIBRVHMW-UHFFFAOYSA-N 2 2 309.335 3.180 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](CCc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001209281133 1092723320 /nfs/dbraw/zinc/72/33/20/1092723320.db2.gz ACDYREUABGNNJC-HUUCEWRRSA-N 2 2 312.379 3.131 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637517 1092859726 /nfs/dbraw/zinc/85/97/26/1092859726.db2.gz GZIGONVQOGUWMM-HNNXBMFYSA-N 2 2 317.820 3.400 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cnc(Cl)cc2C)C1 ZINC001209637517 1092859732 /nfs/dbraw/zinc/85/97/32/1092859732.db2.gz GZIGONVQOGUWMM-HNNXBMFYSA-N 2 2 317.820 3.400 20 0 DGADLP Nc1cc[nH+]cc1C[NH+]1CCC(Oc2ccc(Cl)cc2)CC1 ZINC001209730138 1092895805 /nfs/dbraw/zinc/89/58/05/1092895805.db2.gz TWOBEUUHAXXNJX-UHFFFAOYSA-N 2 2 317.820 3.191 20 0 DGADLP Cc1cc[nH+]c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccc12 ZINC001210265215 1093100600 /nfs/dbraw/zinc/10/06/00/1093100600.db2.gz ANQAWOOZIXHEFB-UHFFFAOYSA-N 3 2 319.412 3.091 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC12CN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682457 1093129587 /nfs/dbraw/zinc/12/95/87/1093129587.db2.gz MLEFFUXDFJAMJA-MRXNPFEDSA-N 2 2 304.482 3.195 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC12CN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682457 1093129589 /nfs/dbraw/zinc/12/95/89/1093129589.db2.gz MLEFFUXDFJAMJA-MRXNPFEDSA-N 2 2 304.482 3.195 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC12CN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682457 1093129595 /nfs/dbraw/zinc/12/95/95/1093129595.db2.gz MLEFFUXDFJAMJA-MRXNPFEDSA-N 2 2 304.482 3.195 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC12CN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682457 1093129601 /nfs/dbraw/zinc/12/96/01/1093129601.db2.gz MLEFFUXDFJAMJA-MRXNPFEDSA-N 2 2 304.482 3.195 20 0 DGADLP Cc1cc(C[NH+]2CC(C[NH3+])C2)c(OCc2ccccc2)cc1C ZINC001210546292 1093203196 /nfs/dbraw/zinc/20/31/96/1093203196.db2.gz VYIMUICKCOQJKI-UHFFFAOYSA-N 2 2 310.441 3.273 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001210561461 1093210069 /nfs/dbraw/zinc/21/00/69/1093210069.db2.gz LGTBAELQRNKCFH-UHFFFAOYSA-N 2 2 319.246 3.254 20 0 DGADLP [NH3+]Cc1cccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001215494636 1093990397 /nfs/dbraw/zinc/99/03/97/1093990397.db2.gz VDRSTYACGQTZPT-UHFFFAOYSA-N 2 2 317.352 3.048 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CCC1(F)F ZINC000403206201 1094102240 /nfs/dbraw/zinc/10/22/40/1094102240.db2.gz CSKKFKPFEGETKS-LLVKDONJSA-N 2 2 324.293 3.001 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCC1(F)F ZINC000403206201 1094102244 /nfs/dbraw/zinc/10/22/44/1094102244.db2.gz CSKKFKPFEGETKS-LLVKDONJSA-N 2 2 324.293 3.001 20 0 DGADLP C[NH+](C)C[C@H]([NH2+][C@@H]1CCCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC001170800440 1094433607 /nfs/dbraw/zinc/43/36/07/1094433607.db2.gz BFFIDBCZDVCDCP-JHPBPYBXSA-N 2 2 320.521 3.292 20 0 DGADLP C[NH+](C)Cc1c(O[C@@H]2CC[NH2+]CC2(F)F)ccc2ccccc21 ZINC001218006885 1094554159 /nfs/dbraw/zinc/55/41/59/1094554159.db2.gz PAEVSSHETFAZKB-QGZVFWFLSA-N 2 2 320.383 3.277 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000315171064 1095093228 /nfs/dbraw/zinc/09/32/28/1095093228.db2.gz HYSVJFLMQYLQFX-KSZLIROESA-N 2 2 300.446 3.289 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000315171064 1095093233 /nfs/dbraw/zinc/09/32/33/1095093233.db2.gz HYSVJFLMQYLQFX-KSZLIROESA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000316507091 1095176836 /nfs/dbraw/zinc/17/68/36/1095176836.db2.gz AXIISAIXEZHLPY-PBHICJAKSA-N 2 2 301.434 3.224 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316838766 1095195185 /nfs/dbraw/zinc/19/51/85/1095195185.db2.gz QXBSWLULSCYQDE-SNRMKQJTSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316838766 1095195192 /nfs/dbraw/zinc/19/51/92/1095195192.db2.gz QXBSWLULSCYQDE-SNRMKQJTSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919292 1095199764 /nfs/dbraw/zinc/19/97/64/1095199764.db2.gz CYXJLTXJVFXHNJ-IMJJTQAJSA-N 2 2 320.502 3.141 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919292 1095199770 /nfs/dbraw/zinc/19/97/70/1095199770.db2.gz CYXJLTXJVFXHNJ-IMJJTQAJSA-N 2 2 320.502 3.141 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC001222154192 1095461540 /nfs/dbraw/zinc/46/15/40/1095461540.db2.gz ICJPFUSRBZYSBM-LJQANCHMSA-N 2 2 317.477 3.144 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC001222154192 1095461541 /nfs/dbraw/zinc/46/15/41/1095461541.db2.gz ICJPFUSRBZYSBM-LJQANCHMSA-N 2 2 317.477 3.144 20 0 DGADLP Cc1nc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222173854 1095478610 /nfs/dbraw/zinc/47/86/10/1095478610.db2.gz YNSOXXYTOCPPFO-GOSISDBHSA-N 2 2 305.441 3.275 20 0 DGADLP Cc1nc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222173854 1095478622 /nfs/dbraw/zinc/47/86/22/1095478622.db2.gz YNSOXXYTOCPPFO-GOSISDBHSA-N 2 2 305.441 3.275 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001116293855 1095508980 /nfs/dbraw/zinc/50/89/80/1095508980.db2.gz JQABSZFGNMROJP-KRWDZBQOSA-N 2 2 318.505 3.405 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)n1 ZINC001222264864 1095518475 /nfs/dbraw/zinc/51/84/75/1095518475.db2.gz JBOQVKLWHJQNSQ-LJQANCHMSA-N 2 2 317.477 3.225 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)n1 ZINC001222264864 1095518484 /nfs/dbraw/zinc/51/84/84/1095518484.db2.gz JBOQVKLWHJQNSQ-LJQANCHMSA-N 2 2 317.477 3.225 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1SC ZINC001222278261 1095526383 /nfs/dbraw/zinc/52/63/83/1095526383.db2.gz ZGONFXBJEKVHOD-SFHVURJKSA-N 2 2 320.502 3.383 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1SC ZINC001222278261 1095526391 /nfs/dbraw/zinc/52/63/91/1095526391.db2.gz ZGONFXBJEKVHOD-SFHVURJKSA-N 2 2 320.502 3.383 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222282436 1095527711 /nfs/dbraw/zinc/52/77/11/1095527711.db2.gz JFBHECFCLKXNCP-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1cccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222282436 1095527723 /nfs/dbraw/zinc/52/77/23/1095527723.db2.gz JFBHECFCLKXNCP-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP c1cc2ccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)nc2[nH]1 ZINC001144172258 1095542997 /nfs/dbraw/zinc/54/29/97/1095542997.db2.gz ZTEZVVVFIXTXON-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1cc2ccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)nc2[nH]1 ZINC001144172258 1095543006 /nfs/dbraw/zinc/54/30/06/1095543006.db2.gz ZTEZVVVFIXTXON-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC001116449515 1095559456 /nfs/dbraw/zinc/55/94/56/1095559456.db2.gz LESBRXODFAQLNC-YJBOKZPZSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC001116449515 1095559469 /nfs/dbraw/zinc/55/94/69/1095559469.db2.gz LESBRXODFAQLNC-YJBOKZPZSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC001116449515 1095559479 /nfs/dbraw/zinc/55/94/79/1095559479.db2.gz LESBRXODFAQLNC-YJBOKZPZSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC001116449515 1095559489 /nfs/dbraw/zinc/55/94/89/1095559489.db2.gz LESBRXODFAQLNC-YJBOKZPZSA-N 2 2 318.436 3.283 20 0 DGADLP Oc1ccc(-c2ccc(C[NH+]3CC4(C3)CCC[NH2+]C4)cc2)cc1 ZINC001222339574 1095560840 /nfs/dbraw/zinc/56/08/40/1095560840.db2.gz DVTJHCHDUQVXDX-UHFFFAOYSA-N 2 2 308.425 3.245 20 0 DGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222344629 1095562589 /nfs/dbraw/zinc/56/25/89/1095562589.db2.gz AYNNIRLZPMIOPY-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222344629 1095562599 /nfs/dbraw/zinc/56/25/99/1095562599.db2.gz AYNNIRLZPMIOPY-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP c1ccc(-c2ccccc2C[N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222365439 1095576209 /nfs/dbraw/zinc/57/62/09/1095576209.db2.gz BLTRMSWKLRCWHS-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2ccccc2C[N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222365439 1095576216 /nfs/dbraw/zinc/57/62/16/1095576216.db2.gz BLTRMSWKLRCWHS-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP COc1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)cc1 ZINC001222379861 1095580609 /nfs/dbraw/zinc/58/06/09/1095580609.db2.gz LQGJSSULTOFAAP-UHFFFAOYSA-N 2 2 308.425 3.158 20 0 DGADLP CCN1CCc2ccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc21 ZINC001222402064 1095596694 /nfs/dbraw/zinc/59/66/94/1095596694.db2.gz XNGIELPQSVQRSK-HXUWFJFHSA-N 2 2 313.489 3.177 20 0 DGADLP CCN1CCc2ccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc21 ZINC001222402064 1095596703 /nfs/dbraw/zinc/59/67/03/1095596703.db2.gz XNGIELPQSVQRSK-HXUWFJFHSA-N 2 2 313.489 3.177 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC001116602883 1095611816 /nfs/dbraw/zinc/61/18/16/1095611816.db2.gz FNEZELZBNGLPSU-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001116602883 1095611822 /nfs/dbraw/zinc/61/18/22/1095611822.db2.gz FNEZELZBNGLPSU-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222477758 1095634182 /nfs/dbraw/zinc/63/41/82/1095634182.db2.gz QBSFOYLUSPLUFU-FQEVSTJZSA-N 2 2 308.425 3.387 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222477758 1095634188 /nfs/dbraw/zinc/63/41/88/1095634188.db2.gz QBSFOYLUSPLUFU-FQEVSTJZSA-N 2 2 308.425 3.387 20 0 DGADLP COc1c(C[NH+]2CCC(F)(C[NH3+])CC2)ccc(Cl)c1Cl ZINC001222553499 1095663300 /nfs/dbraw/zinc/66/33/00/1095663300.db2.gz UZZUERVZDKWCMX-UHFFFAOYSA-N 2 2 321.223 3.265 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001137680229 1095710066 /nfs/dbraw/zinc/71/00/66/1095710066.db2.gz SQJSCBADVKXHOU-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001137680229 1095710081 /nfs/dbraw/zinc/71/00/81/1095710081.db2.gz SQJSCBADVKXHOU-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001206722683 1095714155 /nfs/dbraw/zinc/71/41/55/1095714155.db2.gz FWWWSBYDXWBHFB-UHFFFAOYSA-N 2 2 319.246 3.383 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112208 1095714523 /nfs/dbraw/zinc/71/45/23/1095714523.db2.gz HIMNECNYKFOUON-DOTOQJQBSA-N 2 2 304.482 3.353 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112208 1095714533 /nfs/dbraw/zinc/71/45/33/1095714533.db2.gz HIMNECNYKFOUON-DOTOQJQBSA-N 2 2 304.482 3.353 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696942 1095726248 /nfs/dbraw/zinc/72/62/48/1095726248.db2.gz QZTOWGIZRIIDKI-SFTDATJTSA-N 2 2 322.452 3.225 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696942 1095726259 /nfs/dbraw/zinc/72/62/59/1095726259.db2.gz QZTOWGIZRIIDKI-SFTDATJTSA-N 2 2 322.452 3.225 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001137861812 1095771369 /nfs/dbraw/zinc/77/13/69/1095771369.db2.gz WJNVEWXFDWOJNA-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001137861812 1095771381 /nfs/dbraw/zinc/77/13/81/1095771381.db2.gz WJNVEWXFDWOJNA-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001137861812 1095771393 /nfs/dbraw/zinc/77/13/93/1095771393.db2.gz WJNVEWXFDWOJNA-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001137861812 1095771399 /nfs/dbraw/zinc/77/13/99/1095771399.db2.gz WJNVEWXFDWOJNA-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001117627973 1095788296 /nfs/dbraw/zinc/78/82/96/1095788296.db2.gz BQKAHIXPFGQRQA-HNNXBMFYSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001117627973 1095788305 /nfs/dbraw/zinc/78/83/05/1095788305.db2.gz BQKAHIXPFGQRQA-HNNXBMFYSA-N 2 2 300.406 3.071 20 0 DGADLP Brc1cccc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC001246839378 1096026012 /nfs/dbraw/zinc/02/60/12/1096026012.db2.gz AKBMINZLINCOMS-OAHLLOKOSA-N 2 2 309.251 3.338 20 0 DGADLP Brc1cccc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC001246839378 1096026020 /nfs/dbraw/zinc/02/60/20/1096026020.db2.gz AKBMINZLINCOMS-OAHLLOKOSA-N 2 2 309.251 3.338 20 0 DGADLP Cc1cccc2c1cc[nH+]c2N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001118541919 1096030082 /nfs/dbraw/zinc/03/00/82/1096030082.db2.gz SYQWERQQZZCHSH-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H](C)C[NH+]1CCCC1)CC2 ZINC001171292830 1096149196 /nfs/dbraw/zinc/14/91/96/1096149196.db2.gz OHRXPEPIKNCHAS-KGLIPLIRSA-N 2 2 322.880 3.280 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001119301191 1096158640 /nfs/dbraw/zinc/15/86/40/1096158640.db2.gz SXRXZYJCDPIBMH-CYBMUJFWSA-N 2 2 320.387 3.207 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001119301191 1096158645 /nfs/dbraw/zinc/15/86/45/1096158645.db2.gz SXRXZYJCDPIBMH-CYBMUJFWSA-N 2 2 320.387 3.207 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)cc2)[nH+]c1C ZINC001119317196 1096164234 /nfs/dbraw/zinc/16/42/34/1096164234.db2.gz VJSBBBXASDFMJS-UHFFFAOYSA-N 2 2 324.428 3.307 20 0 DGADLP c1c2ccccc2oc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001119450943 1096204260 /nfs/dbraw/zinc/20/42/60/1096204260.db2.gz PXRRPADMQSEAIX-UHFFFAOYSA-N 2 2 314.429 3.166 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381245 1096617626 /nfs/dbraw/zinc/61/76/26/1096617626.db2.gz RJAQNCCWIFKDHZ-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381245 1096617634 /nfs/dbraw/zinc/61/76/34/1096617634.db2.gz RJAQNCCWIFKDHZ-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP Brc1ccccc1CC[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226786179 1096778067 /nfs/dbraw/zinc/77/80/67/1096778067.db2.gz WVVAYXVFWIHSTJ-UHFFFAOYSA-N 2 2 323.278 3.210 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171492799 1096898159 /nfs/dbraw/zinc/89/81/59/1096898159.db2.gz IXHGEGZMFFMRMR-INIZCTEOSA-N 2 2 317.383 3.356 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171466562 1096902001 /nfs/dbraw/zinc/90/20/01/1096902001.db2.gz NBZLEGPRXBBPGQ-CVEARBPZSA-N 2 2 308.416 3.142 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171466562 1096902005 /nfs/dbraw/zinc/90/20/05/1096902005.db2.gz NBZLEGPRXBBPGQ-CVEARBPZSA-N 2 2 308.416 3.142 20 0 DGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505906 1096913636 /nfs/dbraw/zinc/91/36/36/1096913636.db2.gz OEZOSEJTSGOCSM-WCQYABFASA-N 2 2 312.379 3.035 20 0 DGADLP CC(C)Oc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ncn1 ZINC001171631073 1096931005 /nfs/dbraw/zinc/93/10/05/1096931005.db2.gz VVNMANSGNIYBHS-UHFFFAOYSA-N 2 2 320.481 3.005 20 0 DGADLP COCC[N@H+]([C@@H](C)CCc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001171675848 1096945403 /nfs/dbraw/zinc/94/54/03/1096945403.db2.gz UGFSYXXTFJOUEH-SFHVURJKSA-N 2 2 318.505 3.359 20 0 DGADLP COCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001171675848 1096945408 /nfs/dbraw/zinc/94/54/08/1096945408.db2.gz UGFSYXXTFJOUEH-SFHVURJKSA-N 2 2 318.505 3.359 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171642423 1096949348 /nfs/dbraw/zinc/94/93/48/1096949348.db2.gz JVMIVIRMLGFZAE-UHFFFAOYSA-N 3 2 307.526 3.196 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171642423 1096949353 /nfs/dbraw/zinc/94/93/53/1096949353.db2.gz JVMIVIRMLGFZAE-UHFFFAOYSA-N 3 2 307.526 3.196 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643888 1096950554 /nfs/dbraw/zinc/95/05/54/1096950554.db2.gz XHKFFWZALFQMLH-ZFWWWQNUSA-N 2 2 312.498 3.157 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643888 1096950560 /nfs/dbraw/zinc/95/05/60/1096950560.db2.gz XHKFFWZALFQMLH-ZFWWWQNUSA-N 2 2 312.498 3.157 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCCC[NH2+]CC2CC2)c(C)[nH+]1 ZINC001171861027 1096993041 /nfs/dbraw/zinc/99/30/41/1096993041.db2.gz WZJHCFZCCWPDAC-AWEZNQCLSA-N 2 2 317.477 3.295 20 0 DGADLP CCOC(=O)C1(C)CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001171956479 1097004250 /nfs/dbraw/zinc/00/42/50/1097004250.db2.gz ATWGVZZQSWHXNO-UHFFFAOYSA-N 2 2 319.449 3.032 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171932662 1097011673 /nfs/dbraw/zinc/01/16/73/1097011673.db2.gz ITCSAOQVOLATIX-UHFFFAOYSA-N 2 2 321.465 3.106 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171932662 1097011677 /nfs/dbraw/zinc/01/16/77/1097011677.db2.gz ITCSAOQVOLATIX-UHFFFAOYSA-N 2 2 321.465 3.106 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991206 1097016911 /nfs/dbraw/zinc/01/69/11/1097016911.db2.gz TZONPPMAHDGZAD-OALUTQOASA-N 2 2 314.473 3.483 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991206 1097016915 /nfs/dbraw/zinc/01/69/15/1097016915.db2.gz TZONPPMAHDGZAD-OALUTQOASA-N 2 2 314.473 3.483 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991206 1097016921 /nfs/dbraw/zinc/01/69/21/1097016921.db2.gz TZONPPMAHDGZAD-OALUTQOASA-N 2 2 314.473 3.483 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991206 1097016925 /nfs/dbraw/zinc/01/69/25/1097016925.db2.gz TZONPPMAHDGZAD-OALUTQOASA-N 2 2 314.473 3.483 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccnnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972933 1097021999 /nfs/dbraw/zinc/02/19/99/1097021999.db2.gz UUTRIRWTYQOHBP-GOSISDBHSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccnnc2)CC[N@H+]1Cc1ccccc1 ZINC001171972933 1097022005 /nfs/dbraw/zinc/02/20/05/1097022005.db2.gz UUTRIRWTYQOHBP-GOSISDBHSA-N 2 2 310.445 3.009 20 0 DGADLP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077482 1097037337 /nfs/dbraw/zinc/03/73/37/1097037337.db2.gz UJGHMOPXYJJKTI-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077482 1097037343 /nfs/dbraw/zinc/03/73/43/1097037343.db2.gz UJGHMOPXYJJKTI-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077482 1097037348 /nfs/dbraw/zinc/03/73/48/1097037348.db2.gz UJGHMOPXYJJKTI-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077482 1097037354 /nfs/dbraw/zinc/03/73/54/1097037354.db2.gz UJGHMOPXYJJKTI-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172113573 1097062049 /nfs/dbraw/zinc/06/20/49/1097062049.db2.gz KRJXDPNYUPHXEI-ACDBMABISA-N 2 2 313.489 3.132 20 0 DGADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172113573 1097062053 /nfs/dbraw/zinc/06/20/53/1097062053.db2.gz KRJXDPNYUPHXEI-ACDBMABISA-N 2 2 313.489 3.132 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172323754 1097100958 /nfs/dbraw/zinc/10/09/58/1097100958.db2.gz JGFLICVEDOBOMB-CVEARBPZSA-N 2 2 305.466 3.234 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2COC(C)(C)C2)CC1 ZINC001172292360 1097106569 /nfs/dbraw/zinc/10/65/69/1097106569.db2.gz DBEQRANYFIAMNK-GOSISDBHSA-N 2 2 320.452 3.289 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2COC(C)(C)C2)CC1 ZINC001172292360 1097106571 /nfs/dbraw/zinc/10/65/71/1097106571.db2.gz DBEQRANYFIAMNK-GOSISDBHSA-N 2 2 320.452 3.289 20 0 DGADLP CC[C@@H](CC(C)C)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001172401100 1097145513 /nfs/dbraw/zinc/14/55/13/1097145513.db2.gz YQKAXUKMLDCTLS-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@@H](CC(C)C)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001172401100 1097145515 /nfs/dbraw/zinc/14/55/15/1097145515.db2.gz YQKAXUKMLDCTLS-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@@H](CC(C)C)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001172401100 1097145519 /nfs/dbraw/zinc/14/55/19/1097145519.db2.gz YQKAXUKMLDCTLS-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@@H](CC(C)C)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001172401100 1097145521 /nfs/dbraw/zinc/14/55/21/1097145521.db2.gz YQKAXUKMLDCTLS-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172402545 1097145746 /nfs/dbraw/zinc/14/57/46/1097145746.db2.gz NWYFRHZURKHHPW-OTWHNJEPSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172402545 1097145750 /nfs/dbraw/zinc/14/57/50/1097145750.db2.gz NWYFRHZURKHHPW-OTWHNJEPSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172402545 1097145751 /nfs/dbraw/zinc/14/57/51/1097145751.db2.gz NWYFRHZURKHHPW-OTWHNJEPSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172402545 1097145756 /nfs/dbraw/zinc/14/57/56/1097145756.db2.gz NWYFRHZURKHHPW-OTWHNJEPSA-N 2 2 301.478 3.270 20 0 DGADLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000096245641 1097210131 /nfs/dbraw/zinc/21/01/31/1097210131.db2.gz GTCXNYVRKCCXEN-OALUTQOASA-N 2 2 310.416 3.390 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172755135 1097231043 /nfs/dbraw/zinc/23/10/43/1097231043.db2.gz MBKSIGUUJKSGRI-HNNXBMFYSA-N 2 2 320.433 3.045 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172854987 1097262908 /nfs/dbraw/zinc/26/29/08/1097262908.db2.gz BAKRGYXKKLVVLA-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172854987 1097262912 /nfs/dbraw/zinc/26/29/12/1097262912.db2.gz BAKRGYXKKLVVLA-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172854987 1097262917 /nfs/dbraw/zinc/26/29/17/1097262917.db2.gz BAKRGYXKKLVVLA-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172854987 1097262922 /nfs/dbraw/zinc/26/29/22/1097262922.db2.gz BAKRGYXKKLVVLA-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172871942 1097271450 /nfs/dbraw/zinc/27/14/50/1097271450.db2.gz NBPLTDICISRWCO-DXCKQFNASA-N 2 2 310.844 3.294 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172871942 1097271454 /nfs/dbraw/zinc/27/14/54/1097271454.db2.gz NBPLTDICISRWCO-DXCKQFNASA-N 2 2 310.844 3.294 20 0 DGADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001173253528 1097385849 /nfs/dbraw/zinc/38/58/49/1097385849.db2.gz PRFCIYNKUTUGLD-AABGKKOBSA-N 2 2 317.521 3.393 20 0 DGADLP C[N@H+](Cc1c[nH]c2cccnc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001231492340 1097760902 /nfs/dbraw/zinc/76/09/02/1097760902.db2.gz MAJCBFWNDIFGKJ-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1c[nH]c2cccnc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001231492340 1097760908 /nfs/dbraw/zinc/76/09/08/1097760908.db2.gz MAJCBFWNDIFGKJ-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CC[N@H+](Cc1ccc(OCCCOC)cc1)C1CC[NH+](C)CC1 ZINC001231505162 1097766603 /nfs/dbraw/zinc/76/66/03/1097766603.db2.gz LMRTZXKXNOULHN-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CC[N@@H+](Cc1ccc(OCCCOC)cc1)C1CC[NH+](C)CC1 ZINC001231505162 1097766606 /nfs/dbraw/zinc/76/66/06/1097766606.db2.gz LMRTZXKXNOULHN-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP C[N@H+](Cc1c[nH]c2cnccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001231519277 1097770715 /nfs/dbraw/zinc/77/07/15/1097770715.db2.gz BIOXYRGLXMNIMK-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1c[nH]c2cnccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001231519277 1097770720 /nfs/dbraw/zinc/77/07/20/1097770720.db2.gz BIOXYRGLXMNIMK-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CCOc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001231659046 1097805929 /nfs/dbraw/zinc/80/59/29/1097805929.db2.gz PCWQNZCZJWLSOU-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CCOc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001231659046 1097805939 /nfs/dbraw/zinc/80/59/39/1097805939.db2.gz PCWQNZCZJWLSOU-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP c1[nH]nc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)ccc12 ZINC001231905570 1097887850 /nfs/dbraw/zinc/88/78/50/1097887850.db2.gz OVTAWGBWLPSDFD-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccnc(Cl)c4c3)C[C@@H]2C1 ZINC001231980988 1097907827 /nfs/dbraw/zinc/90/78/27/1097907827.db2.gz ZWTHBSKDELHNJN-IYBDPMFKSA-N 2 2 315.848 3.272 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccnc(Cl)c4c3)C[C@@H]2C1 ZINC001231980988 1097907831 /nfs/dbraw/zinc/90/78/31/1097907831.db2.gz ZWTHBSKDELHNJN-IYBDPMFKSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccnc(Cl)c4c3)C[C@@H]2C1 ZINC001231980988 1097907836 /nfs/dbraw/zinc/90/78/36/1097907836.db2.gz ZWTHBSKDELHNJN-IYBDPMFKSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccnc(Cl)c4c3)C[C@@H]2C1 ZINC001231980988 1097907841 /nfs/dbraw/zinc/90/78/41/1097907841.db2.gz ZWTHBSKDELHNJN-IYBDPMFKSA-N 2 2 315.848 3.272 20 0 DGADLP FC(F)(F)c1n[nH]c2c1CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232017819 1097919458 /nfs/dbraw/zinc/91/94/58/1097919458.db2.gz YYOBUKKQFQICRS-AWEZNQCLSA-N 2 2 321.306 3.419 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCC[C@@H](C)C2)CC1 ZINC001175095659 1097945299 /nfs/dbraw/zinc/94/52/99/1097945299.db2.gz GJAWXYIMHQYCCZ-MSOLQXFVSA-N 2 2 308.510 3.390 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(NC(C)=O)cc2C)CC1 ZINC001232185087 1097958687 /nfs/dbraw/zinc/95/86/87/1097958687.db2.gz ATMAVCQYKOSKCD-UHFFFAOYSA-N 2 2 317.477 3.260 20 0 DGADLP Cc1sc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC001232289836 1097993967 /nfs/dbraw/zinc/99/39/67/1097993967.db2.gz IKOJYZCXFPTQGS-UHFFFAOYSA-N 2 2 317.296 3.345 20 0 DGADLP Cc1sc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC001232289836 1097993970 /nfs/dbraw/zinc/99/39/70/1097993970.db2.gz IKOJYZCXFPTQGS-UHFFFAOYSA-N 2 2 317.296 3.345 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccn1Cc1ccccc1 ZINC001232231407 1097976413 /nfs/dbraw/zinc/97/64/13/1097976413.db2.gz BECODYJZGLQGNJ-UHFFFAOYSA-N 2 2 311.473 3.454 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccn1Cc1ccccc1 ZINC001232231407 1097976419 /nfs/dbraw/zinc/97/64/19/1097976419.db2.gz BECODYJZGLQGNJ-UHFFFAOYSA-N 2 2 311.473 3.454 20 0 DGADLP COc1cc(C)c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001232353514 1098014107 /nfs/dbraw/zinc/01/41/07/1098014107.db2.gz BQXRGNCYNPAZRX-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1cc(C)c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001232353514 1098014114 /nfs/dbraw/zinc/01/41/14/1098014114.db2.gz BQXRGNCYNPAZRX-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1OCC ZINC001232386479 1098018717 /nfs/dbraw/zinc/01/87/17/1098018717.db2.gz MYTHHJZPSNOEGJ-UHFFFAOYSA-N 2 2 308.466 3.258 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1OCC ZINC001232386479 1098018723 /nfs/dbraw/zinc/01/87/23/1098018723.db2.gz MYTHHJZPSNOEGJ-UHFFFAOYSA-N 2 2 308.466 3.258 20 0 DGADLP Cc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001232485636 1098055671 /nfs/dbraw/zinc/05/56/71/1098055671.db2.gz DZZMEFOIMYQTKE-OAHLLOKOSA-N 2 2 300.377 3.491 20 0 DGADLP FCc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001232536858 1098071578 /nfs/dbraw/zinc/07/15/78/1098071578.db2.gz RKURUQVVTBKMQQ-GOSISDBHSA-N 2 2 305.441 3.392 20 0 DGADLP FCc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001232536858 1098071583 /nfs/dbraw/zinc/07/15/83/1098071583.db2.gz RKURUQVVTBKMQQ-GOSISDBHSA-N 2 2 305.441 3.392 20 0 DGADLP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501928 1098073627 /nfs/dbraw/zinc/07/36/27/1098073627.db2.gz HKCPUMJKCDLFQN-SJORKVTESA-N 2 2 322.497 3.145 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc3ccoc3cn2)C1 ZINC001232554900 1098075559 /nfs/dbraw/zinc/07/55/59/1098075559.db2.gz NSWTZUHBPOHUMN-INIZCTEOSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232554900 1098075565 /nfs/dbraw/zinc/07/55/65/1098075565.db2.gz NSWTZUHBPOHUMN-INIZCTEOSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1[nH+]c2ccc(Br)cn2c1NC1=CCC[N@@H+](C)C1 ZINC001175576938 1098102180 /nfs/dbraw/zinc/10/21/80/1098102180.db2.gz NKODEZQEODKLNK-UHFFFAOYSA-N 2 2 321.222 3.037 20 0 DGADLP Cc1[nH+]c2ccc(Br)cn2c1NC1=CCC[N@H+](C)C1 ZINC001175576938 1098102184 /nfs/dbraw/zinc/10/21/84/1098102184.db2.gz NKODEZQEODKLNK-UHFFFAOYSA-N 2 2 321.222 3.037 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735301 1098123222 /nfs/dbraw/zinc/12/32/22/1098123222.db2.gz RVOAYQLUZWLUDG-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735301 1098123225 /nfs/dbraw/zinc/12/32/25/1098123225.db2.gz RVOAYQLUZWLUDG-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735301 1098123227 /nfs/dbraw/zinc/12/32/27/1098123227.db2.gz RVOAYQLUZWLUDG-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4ccc(Cl)cc4[nH]3)C2)C1 ZINC001232735301 1098123231 /nfs/dbraw/zinc/12/32/31/1098123231.db2.gz RVOAYQLUZWLUDG-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001277707967 1098124797 /nfs/dbraw/zinc/12/47/97/1098124797.db2.gz LEETXASWXPBYBQ-UHFFFAOYSA-N 2 2 313.367 3.245 20 0 DGADLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001277707967 1098124799 /nfs/dbraw/zinc/12/47/99/1098124799.db2.gz LEETXASWXPBYBQ-UHFFFAOYSA-N 2 2 313.367 3.245 20 0 DGADLP C[NH+](C)Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175712684 1098140423 /nfs/dbraw/zinc/14/04/23/1098140423.db2.gz GVCHZRJDMWCNFO-UHFFFAOYSA-N 2 2 310.323 3.488 20 0 DGADLP CCCn1cnc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001232800811 1098140511 /nfs/dbraw/zinc/14/05/11/1098140511.db2.gz VEHICJSSQVIPMT-UHFFFAOYSA-N 2 2 304.482 3.132 20 0 DGADLP CCCn1cnc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001232800811 1098140514 /nfs/dbraw/zinc/14/05/14/1098140514.db2.gz VEHICJSSQVIPMT-UHFFFAOYSA-N 2 2 304.482 3.132 20 0 DGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)cc1C ZINC001232836714 1098149079 /nfs/dbraw/zinc/14/90/79/1098149079.db2.gz VUXODPPPOAFZRX-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)cc1C ZINC001232836714 1098149082 /nfs/dbraw/zinc/14/90/82/1098149082.db2.gz VUXODPPPOAFZRX-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3cccc4[nH+]ccn43)cc2)CC1 ZINC001175779514 1098169067 /nfs/dbraw/zinc/16/90/67/1098169067.db2.gz JOQSZIYHCCOISL-UHFFFAOYSA-N 2 2 321.428 3.220 20 0 DGADLP Cc1cc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001233007966 1098201185 /nfs/dbraw/zinc/20/11/85/1098201185.db2.gz XHFAGJDLAJSYIW-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1F)CC2 ZINC001233211923 1098251428 /nfs/dbraw/zinc/25/14/28/1098251428.db2.gz GUKQLAHGVKRNIS-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP C[N@H+](Cc1cnn2ccccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001233238739 1098261123 /nfs/dbraw/zinc/26/11/23/1098261123.db2.gz NHQFPESWFJTANH-UHFFFAOYSA-N 2 2 317.396 3.152 20 0 DGADLP C[N@@H+](Cc1cnn2ccccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001233238739 1098261127 /nfs/dbraw/zinc/26/11/27/1098261127.db2.gz NHQFPESWFJTANH-UHFFFAOYSA-N 2 2 317.396 3.152 20 0 DGADLP Cc1cnsc1C[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001233318409 1098287154 /nfs/dbraw/zinc/28/71/54/1098287154.db2.gz BSRIXOZFSOGKCE-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1cnsc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001233318409 1098287158 /nfs/dbraw/zinc/28/71/58/1098287158.db2.gz BSRIXOZFSOGKCE-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001233318409 1098287164 /nfs/dbraw/zinc/28/71/64/1098287164.db2.gz BSRIXOZFSOGKCE-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001233318409 1098287167 /nfs/dbraw/zinc/28/71/67/1098287167.db2.gz BSRIXOZFSOGKCE-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001233321063 1098287203 /nfs/dbraw/zinc/28/72/03/1098287203.db2.gz YWSAKQLXUPJDPZ-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC001233363198 1098302508 /nfs/dbraw/zinc/30/25/08/1098302508.db2.gz MVEYIYGBOVWELA-KRWDZBQOSA-N 2 2 320.440 3.213 20 0 DGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(F)ccc(O)c2F)CC1 ZINC001233395726 1098313687 /nfs/dbraw/zinc/31/36/87/1098313687.db2.gz LFFGUMOVUQLEDO-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(F)ccc(O)c2F)CC1 ZINC001233395726 1098313693 /nfs/dbraw/zinc/31/36/93/1098313693.db2.gz LFFGUMOVUQLEDO-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176351163 1098329099 /nfs/dbraw/zinc/32/90/99/1098329099.db2.gz QGCCGFNUXLHWNW-OAHLLOKOSA-N 2 2 322.497 3.106 20 0 DGADLP c1cc(Nc2ccc[nH+]c2N2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC001176749076 1098419676 /nfs/dbraw/zinc/41/96/76/1098419676.db2.gz SCSRPKSJJFGULY-UHFFFAOYSA-N 2 2 306.373 3.006 20 0 DGADLP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233755833 1098423374 /nfs/dbraw/zinc/42/33/74/1098423374.db2.gz URYPERKNPKGQGR-JKSUJKDBSA-N 2 2 322.412 3.334 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001177066389 1098470206 /nfs/dbraw/zinc/47/02/06/1098470206.db2.gz WKLMAIVZARJZAY-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001177066389 1098470208 /nfs/dbraw/zinc/47/02/08/1098470208.db2.gz WKLMAIVZARJZAY-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC001177199799 1098488149 /nfs/dbraw/zinc/48/81/49/1098488149.db2.gz NVGMYAXKTPBNDJ-INIZCTEOSA-N 2 2 323.506 3.205 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068092 1098489071 /nfs/dbraw/zinc/48/90/71/1098489071.db2.gz XDEPLHHQUXUQOG-INIZCTEOSA-N 2 2 319.355 3.112 20 0 DGADLP COc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068092 1098489074 /nfs/dbraw/zinc/48/90/74/1098489074.db2.gz XDEPLHHQUXUQOG-INIZCTEOSA-N 2 2 319.355 3.112 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001177471278 1098536047 /nfs/dbraw/zinc/53/60/47/1098536047.db2.gz NIEWKUHETDCKQB-MAUKXSAKSA-N 2 2 317.408 3.305 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC001177554446 1098547845 /nfs/dbraw/zinc/54/78/45/1098547845.db2.gz YQKUZIAYSCOADS-UHFFFAOYSA-N 2 2 304.444 3.166 20 0 DGADLP Cn1cnc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC001177566127 1098555880 /nfs/dbraw/zinc/55/58/80/1098555880.db2.gz NZIQTDLAIIEATF-UHFFFAOYSA-N 2 2 317.396 3.049 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1)C2 ZINC001177673868 1098575768 /nfs/dbraw/zinc/57/57/68/1098575768.db2.gz AQRNZHXTSURMMG-RDJZCZTQSA-N 2 2 313.445 3.065 20 0 DGADLP CC[C@H](C)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001177707957 1098589548 /nfs/dbraw/zinc/58/95/48/1098589548.db2.gz QCTQJHNNFJYXJX-INIZCTEOSA-N 2 2 323.912 3.488 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001177795277 1098616275 /nfs/dbraw/zinc/61/62/75/1098616275.db2.gz QTGPLLCWTGCTNX-HNNXBMFYSA-N 2 2 300.450 3.049 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001177795277 1098616279 /nfs/dbraw/zinc/61/62/79/1098616279.db2.gz QTGPLLCWTGCTNX-HNNXBMFYSA-N 2 2 300.450 3.049 20 0 DGADLP CCCCCCc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)s1 ZINC001235060780 1098778492 /nfs/dbraw/zinc/77/84/92/1098778492.db2.gz HAEPSCIYHZHONS-SFHVURJKSA-N 2 2 321.534 3.008 20 0 DGADLP CCCCCCc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)s1 ZINC001235060780 1098778496 /nfs/dbraw/zinc/77/84/96/1098778496.db2.gz HAEPSCIYHZHONS-SFHVURJKSA-N 2 2 321.534 3.008 20 0 DGADLP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c(C)c1C ZINC001235115026 1098815739 /nfs/dbraw/zinc/81/57/39/1098815739.db2.gz DSHCRWZBEWZADK-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1c(C)c(C)c(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c(C)c1C ZINC001235115026 1098815755 /nfs/dbraw/zinc/81/57/55/1098815755.db2.gz DSHCRWZBEWZADK-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235118514 1098819289 /nfs/dbraw/zinc/81/92/89/1098819289.db2.gz OELMNHWQKOKLIA-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235118514 1098819297 /nfs/dbraw/zinc/81/92/97/1098819297.db2.gz OELMNHWQKOKLIA-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3F)cc1)C2 ZINC001235152890 1098839748 /nfs/dbraw/zinc/83/97/48/1098839748.db2.gz PQUWJLMRZCFKER-KSSFIOAISA-N 2 2 300.352 3.165 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3F)cc1)C2 ZINC001235152890 1098839757 /nfs/dbraw/zinc/83/97/57/1098839757.db2.gz PQUWJLMRZCFKER-KSSFIOAISA-N 2 2 300.352 3.165 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c(Cl)nc12 ZINC001235183569 1098863378 /nfs/dbraw/zinc/86/33/78/1098863378.db2.gz BMWGCTZVZDGFMD-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cccc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c(Cl)nc12 ZINC001235183569 1098863386 /nfs/dbraw/zinc/86/33/86/1098863386.db2.gz BMWGCTZVZDGFMD-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184818 1098864027 /nfs/dbraw/zinc/86/40/27/1098864027.db2.gz OUFPHNUCFMUFQR-KGLIPLIRSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184818 1098864039 /nfs/dbraw/zinc/86/40/39/1098864039.db2.gz OUFPHNUCFMUFQR-KGLIPLIRSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(Cl)nc12 ZINC001235192484 1098870601 /nfs/dbraw/zinc/87/06/01/1098870601.db2.gz BMWGCTZVZDGFMD-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cccc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(Cl)nc12 ZINC001235192484 1098870605 /nfs/dbraw/zinc/87/06/05/1098870605.db2.gz BMWGCTZVZDGFMD-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649425 1098899157 /nfs/dbraw/zinc/89/91/57/1098899157.db2.gz HSGLHELRJVHLGN-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649425 1098899177 /nfs/dbraw/zinc/89/91/77/1098899177.db2.gz HSGLHELRJVHLGN-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP CCC[NH2+]CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001178770527 1098919561 /nfs/dbraw/zinc/91/95/61/1098919561.db2.gz LRFUTHHEOHKRIG-KRWDZBQOSA-N 2 2 322.497 3.147 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc4cccc(F)c4[nH]3)CC2)cc[nH+]1 ZINC001235255107 1098927235 /nfs/dbraw/zinc/92/72/35/1098927235.db2.gz ZQCGNQOILOQJJY-UHFFFAOYSA-N 2 2 324.403 3.333 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235260128 1098931483 /nfs/dbraw/zinc/93/14/83/1098931483.db2.gz NMKDPIUXRJIXFI-CTNGQTDRSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235260128 1098931486 /nfs/dbraw/zinc/93/14/86/1098931486.db2.gz NMKDPIUXRJIXFI-CTNGQTDRSA-N 2 2 322.452 3.368 20 0 DGADLP CC(C)C[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178827179 1098944832 /nfs/dbraw/zinc/94/48/32/1098944832.db2.gz GNYABBVZNXUDCB-UHFFFAOYSA-N 2 2 316.449 3.099 20 0 DGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403257 1099000392 /nfs/dbraw/zinc/00/03/92/1099000392.db2.gz ZXDBRNPXNHIEPD-SJORKVTESA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403257 1099000404 /nfs/dbraw/zinc/00/04/04/1099000404.db2.gz ZXDBRNPXNHIEPD-SJORKVTESA-N 2 2 306.356 3.095 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406242 1099000963 /nfs/dbraw/zinc/00/09/63/1099000963.db2.gz QLAUGCMWDKWKAJ-DLBZAZTESA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406242 1099000974 /nfs/dbraw/zinc/00/09/74/1099000974.db2.gz QLAUGCMWDKWKAJ-DLBZAZTESA-N 2 2 321.827 3.345 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001235424961 1099016238 /nfs/dbraw/zinc/01/62/38/1099016238.db2.gz RORDUORAASJFSD-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001235424961 1099016248 /nfs/dbraw/zinc/01/62/48/1099016248.db2.gz RORDUORAASJFSD-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP [NH3+][C@H](C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1)c1ccccc1 ZINC001235593161 1099095113 /nfs/dbraw/zinc/09/51/13/1099095113.db2.gz KSQYIRNZMSBRHI-IYWMVGAKSA-N 2 2 314.473 3.214 20 0 DGADLP [NH3+][C@H](C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1)c1ccccc1 ZINC001235593161 1099095123 /nfs/dbraw/zinc/09/51/23/1099095123.db2.gz KSQYIRNZMSBRHI-IYWMVGAKSA-N 2 2 314.473 3.214 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001235693170 1099131947 /nfs/dbraw/zinc/13/19/47/1099131947.db2.gz UIQPHFXWTWGLBB-UYAOXDASSA-N 2 2 310.441 3.100 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001235693170 1099131949 /nfs/dbraw/zinc/13/19/49/1099131949.db2.gz UIQPHFXWTWGLBB-UYAOXDASSA-N 2 2 310.441 3.100 20 0 DGADLP Clc1ccc2c(n1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235736593 1099154095 /nfs/dbraw/zinc/15/40/95/1099154095.db2.gz XHNBCSJBZKZPMQ-UHFFFAOYSA-N 2 2 307.869 3.406 20 0 DGADLP Clc1ccc2c(n1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235736593 1099154097 /nfs/dbraw/zinc/15/40/97/1099154097.db2.gz XHNBCSJBZKZPMQ-UHFFFAOYSA-N 2 2 307.869 3.406 20 0 DGADLP CCC[C@@H](O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699654 1099167958 /nfs/dbraw/zinc/16/79/58/1099167958.db2.gz FIBSSDROWBUUNN-ZWKOTPCHSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@@H](O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699654 1099167964 /nfs/dbraw/zinc/16/79/64/1099167964.db2.gz FIBSSDROWBUUNN-ZWKOTPCHSA-N 2 2 304.478 3.180 20 0 DGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705982 1099179286 /nfs/dbraw/zinc/17/92/86/1099179286.db2.gz QRIPZWTVSJLNFS-KRWDZBQOSA-N 2 2 320.481 3.067 20 0 DGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705983 1099179547 /nfs/dbraw/zinc/17/95/47/1099179547.db2.gz QRIPZWTVSJLNFS-QGZVFWFLSA-N 2 2 320.481 3.067 20 0 DGADLP COCCC[N@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001235805055 1099187038 /nfs/dbraw/zinc/18/70/38/1099187038.db2.gz GNNQUYRXMYSBKQ-INIZCTEOSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001235805055 1099187042 /nfs/dbraw/zinc/18/70/42/1099187042.db2.gz GNNQUYRXMYSBKQ-INIZCTEOSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@H+](Cc1cc(C)c(F)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235804499 1099187776 /nfs/dbraw/zinc/18/77/76/1099187776.db2.gz DTRMSOFDLBKAMJ-QGZVFWFLSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)c(F)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235804499 1099187778 /nfs/dbraw/zinc/18/77/78/1099187778.db2.gz DTRMSOFDLBKAMJ-QGZVFWFLSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@H+](Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001235807250 1099189490 /nfs/dbraw/zinc/18/94/90/1099189490.db2.gz NGNNEROAKXRFLC-MRXNPFEDSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001235807250 1099189495 /nfs/dbraw/zinc/18/94/95/1099189495.db2.gz NGNNEROAKXRFLC-MRXNPFEDSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001235810104 1099190763 /nfs/dbraw/zinc/19/07/63/1099190763.db2.gz MVYPUEDVXZCQSK-HNNXBMFYSA-N 2 2 320.408 3.162 20 0 DGADLP COCCC[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001235810104 1099190767 /nfs/dbraw/zinc/19/07/67/1099190767.db2.gz MVYPUEDVXZCQSK-HNNXBMFYSA-N 2 2 320.408 3.162 20 0 DGADLP C[N@@H+](Cc1c(Cl)cccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235841656 1099205077 /nfs/dbraw/zinc/20/50/77/1099205077.db2.gz GXFXIMMXWKTDFT-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP C[N@H+](Cc1c(Cl)cccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235841656 1099205083 /nfs/dbraw/zinc/20/50/83/1099205083.db2.gz GXFXIMMXWKTDFT-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235842854 1099207173 /nfs/dbraw/zinc/20/71/73/1099207173.db2.gz SBJMZNGRRWASQW-JTQLQIEISA-N 2 2 317.658 3.144 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235842854 1099207169 /nfs/dbraw/zinc/20/71/69/1099207169.db2.gz SBJMZNGRRWASQW-JTQLQIEISA-N 2 2 317.658 3.144 20 0 DGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909087 1099252564 /nfs/dbraw/zinc/25/25/64/1099252564.db2.gz YYIJUZWKIPRMHH-RDJZCZTQSA-N 2 2 320.440 3.337 20 0 DGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909087 1099252570 /nfs/dbraw/zinc/25/25/70/1099252570.db2.gz YYIJUZWKIPRMHH-RDJZCZTQSA-N 2 2 320.440 3.337 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc(C(F)(F)F)c1 ZINC001235925354 1099261275 /nfs/dbraw/zinc/26/12/75/1099261275.db2.gz IZUXBZUUTDXTGT-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc(C(F)(F)F)c1 ZINC001235925354 1099261280 /nfs/dbraw/zinc/26/12/80/1099261280.db2.gz IZUXBZUUTDXTGT-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP Cc1ccc(C[N@H+](C2COC2)C2CC[NH2+]CC2)c2ccccc12 ZINC001235928340 1099265390 /nfs/dbraw/zinc/26/53/90/1099265390.db2.gz TZUJCGFCFUYWFE-UHFFFAOYSA-N 2 2 310.441 3.101 20 0 DGADLP Cc1ccc(C[N@@H+](C2COC2)C2CC[NH2+]CC2)c2ccccc12 ZINC001235928340 1099265394 /nfs/dbraw/zinc/26/53/94/1099265394.db2.gz TZUJCGFCFUYWFE-UHFFFAOYSA-N 2 2 310.441 3.101 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C)c1Br ZINC001235941237 1099276533 /nfs/dbraw/zinc/27/65/33/1099276533.db2.gz VDVRPTMYSJHEKO-CABCVRRESA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C)c1Br ZINC001235941237 1099276539 /nfs/dbraw/zinc/27/65/39/1099276539.db2.gz VDVRPTMYSJHEKO-CABCVRRESA-N 2 2 323.278 3.107 20 0 DGADLP CC[NH+](CC)CCn1cc(Nc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC001203260121 1099277116 /nfs/dbraw/zinc/27/71/16/1099277116.db2.gz NAQQLGFZOKZOBZ-UHFFFAOYSA-N 2 2 324.432 3.154 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(Br)c(Cl)c1 ZINC001235948066 1099281422 /nfs/dbraw/zinc/28/14/22/1099281422.db2.gz RPUPWTOJRWRETE-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(Br)c(Cl)c1 ZINC001235948066 1099281431 /nfs/dbraw/zinc/28/14/31/1099281431.db2.gz RPUPWTOJRWRETE-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP C[N@@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235957698 1099290076 /nfs/dbraw/zinc/29/00/76/1099290076.db2.gz SJLSMZMTGBATQS-JTQLQIEISA-N 2 2 322.321 3.415 20 0 DGADLP C[N@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235957698 1099290084 /nfs/dbraw/zinc/29/00/84/1099290084.db2.gz SJLSMZMTGBATQS-JTQLQIEISA-N 2 2 322.321 3.415 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959549 1099291823 /nfs/dbraw/zinc/29/18/23/1099291823.db2.gz YJOZTNSCVZEGPH-IZZQQSIFSA-N 2 2 307.441 3.226 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959549 1099291835 /nfs/dbraw/zinc/29/18/35/1099291835.db2.gz YJOZTNSCVZEGPH-IZZQQSIFSA-N 2 2 307.441 3.226 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985707 1099310544 /nfs/dbraw/zinc/31/05/44/1099310544.db2.gz CTLSAWZEMXIIPH-TZIWHRDSSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985707 1099310556 /nfs/dbraw/zinc/31/05/56/1099310556.db2.gz CTLSAWZEMXIIPH-TZIWHRDSSA-N 2 2 322.452 3.497 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990337 1099316604 /nfs/dbraw/zinc/31/66/04/1099316604.db2.gz GIGUWSZRLCZGEC-CRAIPNDOSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990337 1099316616 /nfs/dbraw/zinc/31/66/16/1099316616.db2.gz GIGUWSZRLCZGEC-CRAIPNDOSA-N 2 2 313.832 3.325 20 0 DGADLP CC[N@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236008049 1099331600 /nfs/dbraw/zinc/33/16/00/1099331600.db2.gz PYLLBPSLTRRNDM-HXUWFJFHSA-N 2 2 311.473 3.480 20 0 DGADLP CC[N@@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236008049 1099331616 /nfs/dbraw/zinc/33/16/16/1099331616.db2.gz PYLLBPSLTRRNDM-HXUWFJFHSA-N 2 2 311.473 3.480 20 0 DGADLP Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]c2ccccc12 ZINC000070463100 1099348049 /nfs/dbraw/zinc/34/80/49/1099348049.db2.gz OVAPWCUTWHTTQY-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050429 1099353045 /nfs/dbraw/zinc/35/30/45/1099353045.db2.gz SAMNJKLWLRNHHU-GWCFXTLKSA-N 2 2 322.250 3.100 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050429 1099353050 /nfs/dbraw/zinc/35/30/50/1099353050.db2.gz SAMNJKLWLRNHHU-GWCFXTLKSA-N 2 2 322.250 3.100 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001236052016 1099354683 /nfs/dbraw/zinc/35/46/83/1099354683.db2.gz ZHSRBVSRRVDILI-ZFWWWQNUSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001236052016 1099354694 /nfs/dbraw/zinc/35/46/94/1099354694.db2.gz ZHSRBVSRRVDILI-ZFWWWQNUSA-N 2 2 314.429 3.026 20 0 DGADLP Fc1ccc(CC2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001236081523 1099376315 /nfs/dbraw/zinc/37/63/15/1099376315.db2.gz PVZBLAUELBXKOW-QGZVFWFLSA-N 2 2 308.416 3.361 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001236086773 1099379093 /nfs/dbraw/zinc/37/90/93/1099379093.db2.gz SQBBDFHZKZBVAN-WFASDCNBSA-N 2 2 320.383 3.282 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001236086773 1099379104 /nfs/dbraw/zinc/37/91/04/1099379104.db2.gz SQBBDFHZKZBVAN-WFASDCNBSA-N 2 2 320.383 3.282 20 0 DGADLP CCC[N@H+](Cc1ccc(C(=O)OC)cc1Cl)C1CC[NH2+]CC1 ZINC001236184991 1099455101 /nfs/dbraw/zinc/45/51/01/1099455101.db2.gz QPJNLCBNTJUVQC-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP CCC[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)C1CC[NH2+]CC1 ZINC001236184991 1099455106 /nfs/dbraw/zinc/45/51/06/1099455106.db2.gz QPJNLCBNTJUVQC-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236205504 1099460984 /nfs/dbraw/zinc/46/09/84/1099460984.db2.gz FRBKISGWMDKWMA-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(Br)cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236205504 1099460988 /nfs/dbraw/zinc/46/09/88/1099460988.db2.gz FRBKISGWMDKWMA-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1cccc(-c2nccs2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207867 1099463896 /nfs/dbraw/zinc/46/38/96/1099463896.db2.gz PZIGEKYANIAGPO-QGZVFWFLSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+](Cc1cccc(-c2nccs2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207867 1099463905 /nfs/dbraw/zinc/46/39/05/1099463905.db2.gz PZIGEKYANIAGPO-QGZVFWFLSA-N 2 2 301.459 3.384 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236208025 1099464359 /nfs/dbraw/zinc/46/43/59/1099464359.db2.gz SGHBBYLFMGRBLM-LJQANCHMSA-N 2 2 320.477 3.332 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236208025 1099464368 /nfs/dbraw/zinc/46/43/68/1099464368.db2.gz SGHBBYLFMGRBLM-LJQANCHMSA-N 2 2 320.477 3.332 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207072 1099464736 /nfs/dbraw/zinc/46/47/36/1099464736.db2.gz NYCOTUHCCNENSA-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1c(Br)cccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207072 1099464744 /nfs/dbraw/zinc/46/47/44/1099464744.db2.gz NYCOTUHCCNENSA-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216735 1099473722 /nfs/dbraw/zinc/47/37/22/1099473722.db2.gz MCHFKMFHUVSWJG-SJORKVTESA-N 2 2 318.852 3.227 20 0 DGADLP COc1c(F)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217580 1099474084 /nfs/dbraw/zinc/47/40/84/1099474084.db2.gz PFQBLMVSWUHZHP-ZIAGYGMSSA-N 2 2 300.805 3.189 20 0 DGADLP COc1c(F)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217580 1099474090 /nfs/dbraw/zinc/47/40/90/1099474090.db2.gz PFQBLMVSWUHZHP-ZIAGYGMSSA-N 2 2 300.805 3.189 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1C(F)(F)F ZINC001236219122 1099475860 /nfs/dbraw/zinc/47/58/60/1099475860.db2.gz UPSYUSZTOJDSTO-ZIAGYGMSSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1C(F)(F)F ZINC001236219122 1099475868 /nfs/dbraw/zinc/47/58/68/1099475868.db2.gz UPSYUSZTOJDSTO-ZIAGYGMSSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1cccn1-c1ccccc1F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219632 1099478504 /nfs/dbraw/zinc/47/85/04/1099478504.db2.gz WZPWYJXHZBLENM-SJLPKXTDSA-N 2 2 301.409 3.318 20 0 DGADLP C[N@@H+](Cc1cccn1-c1ccccc1F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219632 1099478512 /nfs/dbraw/zinc/47/85/12/1099478512.db2.gz WZPWYJXHZBLENM-SJLPKXTDSA-N 2 2 301.409 3.318 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220870 1099480288 /nfs/dbraw/zinc/48/02/88/1099480288.db2.gz ZXVFQOCHZLUQHM-IRXDYDNUSA-N 2 2 318.461 3.344 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220870 1099480292 /nfs/dbraw/zinc/48/02/92/1099480292.db2.gz ZXVFQOCHZLUQHM-IRXDYDNUSA-N 2 2 318.461 3.344 20 0 DGADLP COc1cc(C)cc(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236231708 1099485728 /nfs/dbraw/zinc/48/57/28/1099485728.db2.gz FVHPPBZZWIHOFD-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(C)cc(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236231708 1099485735 /nfs/dbraw/zinc/48/57/35/1099485735.db2.gz FVHPPBZZWIHOFD-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP c1ccc(-c2cccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2)nc1 ZINC001236241656 1099497272 /nfs/dbraw/zinc/49/72/72/1099497272.db2.gz UBPNQDJWZJQDJW-IBGZPJMESA-N 2 2 307.441 3.465 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2)nc1 ZINC001236241656 1099497276 /nfs/dbraw/zinc/49/72/76/1099497276.db2.gz UBPNQDJWZJQDJW-IBGZPJMESA-N 2 2 307.441 3.465 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236247387 1099500947 /nfs/dbraw/zinc/50/09/47/1099500947.db2.gz RRUOVPIWHIMZAO-LJQANCHMSA-N 2 2 310.441 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236247387 1099500958 /nfs/dbraw/zinc/50/09/58/1099500958.db2.gz RRUOVPIWHIMZAO-LJQANCHMSA-N 2 2 310.441 3.497 20 0 DGADLP c1cn2ccc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001236268653 1099510605 /nfs/dbraw/zinc/51/06/05/1099510605.db2.gz CIIGYAMIYDDOMG-IBGZPJMESA-N 2 2 320.440 3.089 20 0 DGADLP CCC[N@H+](Cc1cccc(-c2nccs2)c1)[C@@H]1CC[NH2+]C1 ZINC001236323490 1099537811 /nfs/dbraw/zinc/53/78/11/1099537811.db2.gz IHMPFRQNILAPQJ-MRXNPFEDSA-N 2 2 301.459 3.384 20 0 DGADLP CCC[N@@H+](Cc1cccc(-c2nccs2)c1)[C@@H]1CC[NH2+]C1 ZINC001236323490 1099537821 /nfs/dbraw/zinc/53/78/21/1099537821.db2.gz IHMPFRQNILAPQJ-MRXNPFEDSA-N 2 2 301.459 3.384 20 0 DGADLP CCC[N@H+](Cc1cc2cc(OC)ccc2s1)[C@H]1CC[NH2+]C1 ZINC001236323294 1099538113 /nfs/dbraw/zinc/53/81/13/1099538113.db2.gz DBDKNWCOXIXNKD-AWEZNQCLSA-N 2 2 304.459 3.484 20 0 DGADLP CCC[N@@H+](Cc1cc2cc(OC)ccc2s1)[C@H]1CC[NH2+]C1 ZINC001236323294 1099538120 /nfs/dbraw/zinc/53/81/20/1099538120.db2.gz DBDKNWCOXIXNKD-AWEZNQCLSA-N 2 2 304.459 3.484 20 0 DGADLP COCC[N@H+](CCc1ccc(C(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001236330901 1099542893 /nfs/dbraw/zinc/54/28/93/1099542893.db2.gz VOSSLTMFTJXAFZ-IBGZPJMESA-N 2 2 304.478 3.053 20 0 DGADLP COCC[N@@H+](CCc1ccc(C(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001236330901 1099542902 /nfs/dbraw/zinc/54/29/02/1099542902.db2.gz VOSSLTMFTJXAFZ-IBGZPJMESA-N 2 2 304.478 3.053 20 0 DGADLP Oc1cnc(Cl)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376256 1099565731 /nfs/dbraw/zinc/56/57/31/1099565731.db2.gz PTVQWCYLSCDKRX-ZDUSSCGKSA-N 2 2 323.868 3.185 20 0 DGADLP Oc1cnc(Cl)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376256 1099565742 /nfs/dbraw/zinc/56/57/42/1099565742.db2.gz PTVQWCYLSCDKRX-ZDUSSCGKSA-N 2 2 323.868 3.185 20 0 DGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419400 1099593366 /nfs/dbraw/zinc/59/33/66/1099593366.db2.gz ILXMRXZOYYFCPJ-IINYFYTJSA-N 2 2 322.250 3.242 20 0 DGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419400 1099593375 /nfs/dbraw/zinc/59/33/75/1099593375.db2.gz ILXMRXZOYYFCPJ-IINYFYTJSA-N 2 2 322.250 3.242 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001236421663 1099596544 /nfs/dbraw/zinc/59/65/44/1099596544.db2.gz RSCYMOWDCRSXPF-XJKSGUPXSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c2c(OC)cccc12 ZINC001236421663 1099596549 /nfs/dbraw/zinc/59/65/49/1099596549.db2.gz RSCYMOWDCRSXPF-XJKSGUPXSA-N 2 2 314.429 3.169 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001236433848 1099609325 /nfs/dbraw/zinc/60/93/25/1099609325.db2.gz ITYALHYAWXUBOB-CQSZACIVSA-N 2 2 305.224 3.299 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001236433848 1099609328 /nfs/dbraw/zinc/60/93/28/1099609328.db2.gz ITYALHYAWXUBOB-CQSZACIVSA-N 2 2 305.224 3.299 20 0 DGADLP COc1nc(C(C)C)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001236444789 1099616776 /nfs/dbraw/zinc/61/67/76/1099616776.db2.gz TVFAJCKCYBLQKU-UHFFFAOYSA-N 2 2 322.412 3.215 20 0 DGADLP CCOCC[N@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001236460604 1099625464 /nfs/dbraw/zinc/62/54/64/1099625464.db2.gz GGIYSZQLSJUWTI-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP CCOCC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH2+]CC1 ZINC001236460604 1099625469 /nfs/dbraw/zinc/62/54/69/1099625469.db2.gz GGIYSZQLSJUWTI-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP CCCOc1ccccc1C[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236462829 1099626782 /nfs/dbraw/zinc/62/67/82/1099626782.db2.gz XYOOEXWIZPWKBU-UHFFFAOYSA-N 2 2 320.477 3.066 20 0 DGADLP CCCOc1ccccc1C[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236462829 1099626787 /nfs/dbraw/zinc/62/67/87/1099626787.db2.gz XYOOEXWIZPWKBU-UHFFFAOYSA-N 2 2 320.477 3.066 20 0 DGADLP CCc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236469307 1099628055 /nfs/dbraw/zinc/62/80/55/1099628055.db2.gz WGXVHUZMEKNIEN-GOSISDBHSA-N 2 2 304.478 3.479 20 0 DGADLP CCc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236469307 1099628058 /nfs/dbraw/zinc/62/80/58/1099628058.db2.gz WGXVHUZMEKNIEN-GOSISDBHSA-N 2 2 304.478 3.479 20 0 DGADLP CCOc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC001236473533 1099631476 /nfs/dbraw/zinc/63/14/76/1099631476.db2.gz KTBFFCWXJGAERH-MRXNPFEDSA-N 2 2 306.450 3.001 20 0 DGADLP CCOc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC001236473533 1099631479 /nfs/dbraw/zinc/63/14/79/1099631479.db2.gz KTBFFCWXJGAERH-MRXNPFEDSA-N 2 2 306.450 3.001 20 0 DGADLP Cc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cnc1C1CC1 ZINC001236479143 1099636884 /nfs/dbraw/zinc/63/68/84/1099636884.db2.gz RVNGJNSYHJMLSO-GOSISDBHSA-N 2 2 301.478 3.477 20 0 DGADLP Cc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cnc1C1CC1 ZINC001236479143 1099636886 /nfs/dbraw/zinc/63/68/86/1099636886.db2.gz RVNGJNSYHJMLSO-GOSISDBHSA-N 2 2 301.478 3.477 20 0 DGADLP Cc1ccc(C[N@H+](C[C@@H]2CCCCO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236491920 1099641813 /nfs/dbraw/zinc/64/18/13/1099641813.db2.gz HTXFCACMVWTJKB-SFHVURJKSA-N 2 2 320.452 3.257 20 0 DGADLP Cc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236491920 1099641819 /nfs/dbraw/zinc/64/18/19/1099641819.db2.gz HTXFCACMVWTJKB-SFHVURJKSA-N 2 2 320.452 3.257 20 0 DGADLP Clc1ccc2n[nH]c(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c2c1 ZINC001236598267 1099695627 /nfs/dbraw/zinc/69/56/27/1099695627.db2.gz JSLNQGCUMAQDAK-GFCCVEGCSA-N 2 2 318.852 3.180 20 0 DGADLP Clc1ccc2n[nH]c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c2c1 ZINC001236598267 1099695630 /nfs/dbraw/zinc/69/56/30/1099695630.db2.gz JSLNQGCUMAQDAK-GFCCVEGCSA-N 2 2 318.852 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1Br ZINC001236605429 1099700271 /nfs/dbraw/zinc/70/02/71/1099700271.db2.gz SXMRJORMDQTTHD-OAHLLOKOSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C)c1Br ZINC001236605429 1099700280 /nfs/dbraw/zinc/70/02/80/1099700280.db2.gz SXMRJORMDQTTHD-OAHLLOKOSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cccc4occc43)CC2)nc(C)[nH+]1 ZINC001236742561 1099768233 /nfs/dbraw/zinc/76/82/33/1099768233.db2.gz FPNCIJVUMSTJSC-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CCOCC1 ZINC001236903362 1099866407 /nfs/dbraw/zinc/86/64/07/1099866407.db2.gz MXMXNRFSAWMADS-UHFFFAOYSA-N 2 2 319.836 3.384 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CCOCC1 ZINC001236903362 1099866411 /nfs/dbraw/zinc/86/64/11/1099866411.db2.gz MXMXNRFSAWMADS-UHFFFAOYSA-N 2 2 319.836 3.384 20 0 DGADLP C[C@@]1(O)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904799 1099867389 /nfs/dbraw/zinc/86/73/89/1099867389.db2.gz WCLDPCKSJXCJRP-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904799 1099867397 /nfs/dbraw/zinc/86/73/97/1099867397.db2.gz WCLDPCKSJXCJRP-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP Clc1cc(C[N@@H+]2CCCC3(COC3)C2)ccc1-n1cc[nH+]c1 ZINC001236906769 1099868333 /nfs/dbraw/zinc/86/83/33/1099868333.db2.gz MWKBXUHWRWMLCZ-UHFFFAOYSA-N 2 2 317.820 3.138 20 0 DGADLP Clc1cc(C[N@H+]2CCCC3(COC3)C2)ccc1-n1cc[nH+]c1 ZINC001236906769 1099868338 /nfs/dbraw/zinc/86/83/38/1099868338.db2.gz MWKBXUHWRWMLCZ-UHFFFAOYSA-N 2 2 317.820 3.138 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1O ZINC001236908943 1099869766 /nfs/dbraw/zinc/86/97/66/1099869766.db2.gz UMTVLHBYCLGKBG-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1O ZINC001236908943 1099869774 /nfs/dbraw/zinc/86/97/74/1099869774.db2.gz UMTVLHBYCLGKBG-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001236913283 1099872633 /nfs/dbraw/zinc/87/26/33/1099872633.db2.gz KXKXIPGPOBTVCV-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1O ZINC001236913806 1099872710 /nfs/dbraw/zinc/87/27/10/1099872710.db2.gz ODZJERGALQXAFM-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1O ZINC001236913806 1099872719 /nfs/dbraw/zinc/87/27/19/1099872719.db2.gz ODZJERGALQXAFM-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@H]1O ZINC001236913251 1099874685 /nfs/dbraw/zinc/87/46/85/1099874685.db2.gz JPSVTPKLLRWTFW-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC001236914456 1099874988 /nfs/dbraw/zinc/87/49/88/1099874988.db2.gz WQLFAGVNSCGNDF-KOMQPUFPSA-N 2 2 319.836 3.261 20 0 DGADLP Oc1c(F)ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1F ZINC001236962845 1099893822 /nfs/dbraw/zinc/89/38/22/1099893822.db2.gz UKWYGXWEMBFGPD-UHFFFAOYSA-N 2 2 324.415 3.272 20 0 DGADLP COc1cccc(CCC[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001237019247 1099930424 /nfs/dbraw/zinc/93/04/24/1099930424.db2.gz GUKXTABHEGOWDH-IBGZPJMESA-N 2 2 310.441 3.013 20 0 DGADLP COc1cccc(CCC[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001237019247 1099930432 /nfs/dbraw/zinc/93/04/32/1099930432.db2.gz GUKXTABHEGOWDH-IBGZPJMESA-N 2 2 310.441 3.013 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001237056337 1099948063 /nfs/dbraw/zinc/94/80/63/1099948063.db2.gz HYZYSGHCPHTLQQ-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001237056337 1099948074 /nfs/dbraw/zinc/94/80/74/1099948074.db2.gz HYZYSGHCPHTLQQ-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(Br)c1 ZINC001237057866 1099949434 /nfs/dbraw/zinc/94/94/34/1099949434.db2.gz ODQDJYCTPYHDQZ-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(Br)c1 ZINC001237057866 1099949437 /nfs/dbraw/zinc/94/94/37/1099949437.db2.gz ODQDJYCTPYHDQZ-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237142090 1099992143 /nfs/dbraw/zinc/99/21/43/1099992143.db2.gz LYVPFBYJTDOLEP-FQEVSTJZSA-N 2 2 322.408 3.150 20 0 DGADLP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237142090 1099992151 /nfs/dbraw/zinc/99/21/51/1099992151.db2.gz LYVPFBYJTDOLEP-FQEVSTJZSA-N 2 2 322.408 3.150 20 0 DGADLP c1c2cccnc2sc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154443 1100003964 /nfs/dbraw/zinc/00/39/64/1100003964.db2.gz BNNCTEANCPJPRL-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2cccnc2sc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154443 1100003972 /nfs/dbraw/zinc/00/39/72/1100003972.db2.gz BNNCTEANCPJPRL-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP Cn1ccc(-c2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2)n1 ZINC001237159950 1100008774 /nfs/dbraw/zinc/00/87/74/1100008774.db2.gz FYRDUGGEQCCRGM-IBGZPJMESA-N 2 2 324.472 3.194 20 0 DGADLP Cn1ccc(-c2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2)n1 ZINC001237159950 1100008782 /nfs/dbraw/zinc/00/87/82/1100008782.db2.gz FYRDUGGEQCCRGM-IBGZPJMESA-N 2 2 324.472 3.194 20 0 DGADLP S=C1C=COC1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001237178719 1100015536 /nfs/dbraw/zinc/01/55/36/1100015536.db2.gz ZLGYZZGABGHAIL-BETUJISGSA-N 2 2 320.483 3.194 20 0 DGADLP S=C1C=COC1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001237178719 1100015546 /nfs/dbraw/zinc/01/55/46/1100015546.db2.gz ZLGYZZGABGHAIL-BETUJISGSA-N 2 2 320.483 3.194 20 0 DGADLP S=C1C=COC1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001237178719 1100015555 /nfs/dbraw/zinc/01/55/55/1100015555.db2.gz ZLGYZZGABGHAIL-BETUJISGSA-N 2 2 320.483 3.194 20 0 DGADLP S=C1C=COC1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001237178719 1100015569 /nfs/dbraw/zinc/01/55/69/1100015569.db2.gz ZLGYZZGABGHAIL-BETUJISGSA-N 2 2 320.483 3.194 20 0 DGADLP Fc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237275459 1100054337 /nfs/dbraw/zinc/05/43/37/1100054337.db2.gz NYFKOHUJEOYPNM-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP CCc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)o1 ZINC001237275923 1100056932 /nfs/dbraw/zinc/05/69/32/1100056932.db2.gz SAWMFJLBQQVDEM-UHFFFAOYSA-N 2 2 310.441 3.479 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(O)cc(F)c1 ZINC001237280623 1100058394 /nfs/dbraw/zinc/05/83/94/1100058394.db2.gz KXMBSCKXNWLVOP-IRXDYDNUSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(O)cc(F)c1 ZINC001237280623 1100058403 /nfs/dbraw/zinc/05/84/03/1100058403.db2.gz KXMBSCKXNWLVOP-IRXDYDNUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC001237280623 1100058413 /nfs/dbraw/zinc/05/84/13/1100058413.db2.gz KXMBSCKXNWLVOP-IRXDYDNUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC001237280623 1100058418 /nfs/dbraw/zinc/05/84/18/1100058418.db2.gz KXMBSCKXNWLVOP-IRXDYDNUSA-N 2 2 306.425 3.370 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282208 1100058848 /nfs/dbraw/zinc/05/88/48/1100058848.db2.gz LMGZSOBXIMKQRA-OKILXGFUSA-N 2 2 310.388 3.016 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282208 1100058853 /nfs/dbraw/zinc/05/88/53/1100058853.db2.gz LMGZSOBXIMKQRA-OKILXGFUSA-N 2 2 310.388 3.016 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282208 1100058855 /nfs/dbraw/zinc/05/88/55/1100058855.db2.gz LMGZSOBXIMKQRA-OKILXGFUSA-N 2 2 310.388 3.016 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282208 1100058862 /nfs/dbraw/zinc/05/88/62/1100058862.db2.gz LMGZSOBXIMKQRA-OKILXGFUSA-N 2 2 310.388 3.016 20 0 DGADLP CCc1cccc(C)c1C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001237327247 1100078776 /nfs/dbraw/zinc/07/87/76/1100078776.db2.gz PSLGDJDBECELKW-UHFFFAOYSA-N 2 2 304.478 3.100 20 0 DGADLP CCc1cccc(C)c1C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001237327247 1100078785 /nfs/dbraw/zinc/07/87/85/1100078785.db2.gz PSLGDJDBECELKW-UHFFFAOYSA-N 2 2 304.478 3.100 20 0 DGADLP Fc1ccccc1CC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237357902 1100093399 /nfs/dbraw/zinc/09/33/99/1100093399.db2.gz AXOCJIZMRASMRE-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379926 1100098036 /nfs/dbraw/zinc/09/80/36/1100098036.db2.gz DVQVACMTGRAMMP-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379926 1100098040 /nfs/dbraw/zinc/09/80/40/1100098040.db2.gz DVQVACMTGRAMMP-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237376703 1100098170 /nfs/dbraw/zinc/09/81/70/1100098170.db2.gz RYHNZUCYGJWEOV-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237376703 1100098180 /nfs/dbraw/zinc/09/81/80/1100098180.db2.gz RYHNZUCYGJWEOV-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237379927 1100099722 /nfs/dbraw/zinc/09/97/22/1100099722.db2.gz DVQVACMTGRAMMP-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237379927 1100099730 /nfs/dbraw/zinc/09/97/30/1100099730.db2.gz DVQVACMTGRAMMP-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cn2)cs1 ZINC001237392618 1100107246 /nfs/dbraw/zinc/10/72/46/1100107246.db2.gz OXZVVUMNIKINCN-CRAIPNDOSA-N 2 2 313.470 3.384 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cn2)cs1 ZINC001237392618 1100107252 /nfs/dbraw/zinc/10/72/52/1100107252.db2.gz OXZVVUMNIKINCN-CRAIPNDOSA-N 2 2 313.470 3.384 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1F ZINC001237418299 1100121262 /nfs/dbraw/zinc/12/12/62/1100121262.db2.gz XTPGOSXZJJWHGS-WBVHZDCISA-N 2 2 306.425 3.187 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1F ZINC001237418299 1100121265 /nfs/dbraw/zinc/12/12/65/1100121265.db2.gz XTPGOSXZJJWHGS-WBVHZDCISA-N 2 2 306.425 3.187 20 0 DGADLP COc1c(C)cccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001237506689 1100153906 /nfs/dbraw/zinc/15/39/06/1100153906.db2.gz ZTHVSXFHHVWWJA-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CCc1n[nH]cc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001237656808 1100207143 /nfs/dbraw/zinc/20/71/43/1100207143.db2.gz UZYICRBZTPNQEH-UHFFFAOYSA-N 2 2 304.482 3.201 20 0 DGADLP CCc1n[nH]cc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001237656808 1100207148 /nfs/dbraw/zinc/20/71/48/1100207148.db2.gz UZYICRBZTPNQEH-UHFFFAOYSA-N 2 2 304.482 3.201 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC001237796346 1100249668 /nfs/dbraw/zinc/24/96/68/1100249668.db2.gz XYXSSPBJOIERNK-AWEZNQCLSA-N 2 2 315.442 3.377 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC001237796346 1100249678 /nfs/dbraw/zinc/24/96/78/1100249678.db2.gz XYXSSPBJOIERNK-AWEZNQCLSA-N 2 2 315.442 3.377 20 0 DGADLP CCc1ncc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)s1 ZINC001237828238 1100259843 /nfs/dbraw/zinc/25/98/43/1100259843.db2.gz JVIQVWMUWOKMRF-UHFFFAOYSA-N 2 2 316.474 3.121 20 0 DGADLP CCc1ncc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)s1 ZINC001237828238 1100259868 /nfs/dbraw/zinc/25/98/68/1100259868.db2.gz JVIQVWMUWOKMRF-UHFFFAOYSA-N 2 2 316.474 3.121 20 0 DGADLP c1cn(C2CC[NH+](Cc3cccc(-c4ccccn4)n3)CC2)c[nH+]1 ZINC001237837051 1100263304 /nfs/dbraw/zinc/26/33/04/1100263304.db2.gz NPAJTDTUGIHAFY-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911785 1100290653 /nfs/dbraw/zinc/29/06/53/1100290653.db2.gz GGSPCBHQAQPVSE-UYAOXDASSA-N 2 2 314.473 3.107 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911785 1100290657 /nfs/dbraw/zinc/29/06/57/1100290657.db2.gz GGSPCBHQAQPVSE-UYAOXDASSA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911785 1100290660 /nfs/dbraw/zinc/29/06/60/1100290660.db2.gz GGSPCBHQAQPVSE-UYAOXDASSA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911785 1100290662 /nfs/dbraw/zinc/29/06/62/1100290662.db2.gz GGSPCBHQAQPVSE-UYAOXDASSA-N 2 2 314.473 3.107 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC001190873724 1100354264 /nfs/dbraw/zinc/35/42/64/1100354264.db2.gz YACAADATTFXADL-CVEARBPZSA-N 2 2 303.450 3.039 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238195832 1100388053 /nfs/dbraw/zinc/38/80/53/1100388053.db2.gz IHXRZQQRSYEMFP-GOSISDBHSA-N 2 2 309.413 3.316 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238195832 1100388059 /nfs/dbraw/zinc/38/80/59/1100388059.db2.gz IHXRZQQRSYEMFP-GOSISDBHSA-N 2 2 309.413 3.316 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238212606 1100394783 /nfs/dbraw/zinc/39/47/83/1100394783.db2.gz BOLBNLRKEXPMSA-GJZGRUSLSA-N 2 2 313.470 3.194 20 0 DGADLP CC(C)Oc1cncc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001238465026 1100451181 /nfs/dbraw/zinc/45/11/81/1100451181.db2.gz MLIOEERVDZFTHH-UHFFFAOYSA-N 2 2 305.466 3.173 20 0 DGADLP CC(C)Oc1cncc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001238465026 1100451185 /nfs/dbraw/zinc/45/11/85/1100451185.db2.gz MLIOEERVDZFTHH-UHFFFAOYSA-N 2 2 305.466 3.173 20 0 DGADLP COc1cc(C)c(C)cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001238757072 1100520872 /nfs/dbraw/zinc/52/08/72/1100520872.db2.gz AVWNYFMONZFDBP-UHFFFAOYSA-N 2 2 302.462 3.372 20 0 DGADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000079000499 1100756043 /nfs/dbraw/zinc/75/60/43/1100756043.db2.gz YAFIAUGWEBAWNC-QGZVFWFLSA-N 2 2 301.434 3.486 20 0 DGADLP c1cn2cc(-c3ccc([C@]45CC[NH2+][C@H]4COCC5)cc3)ccc2[nH+]1 ZINC001240217642 1100898941 /nfs/dbraw/zinc/89/89/41/1100898941.db2.gz KYBSDQVAVCBRMF-AZUAARDMSA-N 2 2 319.408 3.021 20 0 DGADLP c1cn2cc(-c3ccc(OCC[NH+]4CCCCC4)nc3)ccc2[nH+]1 ZINC001240220973 1100899833 /nfs/dbraw/zinc/89/98/33/1100899833.db2.gz OZYBFRYUXNUELL-UHFFFAOYSA-N 2 2 322.412 3.261 20 0 DGADLP CC(C)(O)c1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240409616 1100983679 /nfs/dbraw/zinc/98/36/79/1100983679.db2.gz GOTKVLVYFKBTQJ-SFHVURJKSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240409616 1100983682 /nfs/dbraw/zinc/98/36/82/1100983682.db2.gz GOTKVLVYFKBTQJ-SFHVURJKSA-N 2 2 310.441 3.114 20 0 DGADLP c1cn2ccc(-c3ccc(COC4CC[NH2+]CC4)cc3)cc2[nH+]1 ZINC001240510791 1101027939 /nfs/dbraw/zinc/02/79/39/1101027939.db2.gz SJNHUEOXGYRAHQ-UHFFFAOYSA-N 2 2 307.397 3.270 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(C)C)cc1F ZINC001278317499 1101082687 /nfs/dbraw/zinc/08/26/87/1101082687.db2.gz SGCCMJLHHAALAC-MQVJKMGUSA-N 2 2 306.425 3.328 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(C)C)cc1F ZINC001278317499 1101082693 /nfs/dbraw/zinc/08/26/93/1101082693.db2.gz SGCCMJLHHAALAC-MQVJKMGUSA-N 2 2 306.425 3.328 20 0 DGADLP CC(C)Oc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001240811129 1101145703 /nfs/dbraw/zinc/14/57/03/1101145703.db2.gz NEJMNMDTARHZBX-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001240811129 1101145705 /nfs/dbraw/zinc/14/57/05/1101145705.db2.gz NEJMNMDTARHZBX-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP Cc1c(-c2ccc(N3CC[NH+](C)CC3)cc2)ccc2[nH+]ccn21 ZINC001240855321 1101160399 /nfs/dbraw/zinc/16/03/99/1101160399.db2.gz ZIVKQRYHXDTSAZ-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP C(c1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)=C1CC[NH2+]CC1 ZINC001240875713 1101166988 /nfs/dbraw/zinc/16/69/88/1101166988.db2.gz TWTJJMTUKZCHDK-UHFFFAOYSA-N 2 2 317.396 3.096 20 0 DGADLP CCOc1cc(F)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241025351 1101224785 /nfs/dbraw/zinc/22/47/85/1101224785.db2.gz YAMVWMTVZXVGTR-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP COc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241030218 1101227559 /nfs/dbraw/zinc/22/75/59/1101227559.db2.gz KLDHBIGZTNUYSQ-KRWDZBQOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241030218 1101227564 /nfs/dbraw/zinc/22/75/64/1101227564.db2.gz KLDHBIGZTNUYSQ-KRWDZBQOSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc([C@@H](C)N2CC[NH2+]CC2)cc1 ZINC001241257028 1101327662 /nfs/dbraw/zinc/32/76/62/1101327662.db2.gz FJONBJJKXPCTGF-MRXNPFEDSA-N 2 2 324.472 3.089 20 0 DGADLP C[N@H+]1CC=C(c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)CC1 ZINC001241317719 1101372684 /nfs/dbraw/zinc/37/26/84/1101372684.db2.gz UDNYTCBUTXLFMO-UHFFFAOYSA-N 2 2 317.396 3.048 20 0 DGADLP C[N@@H+]1CC=C(c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)CC1 ZINC001241317719 1101372697 /nfs/dbraw/zinc/37/26/97/1101372697.db2.gz UDNYTCBUTXLFMO-UHFFFAOYSA-N 2 2 317.396 3.048 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3ncccc3c2)C1 ZINC001241400203 1101433449 /nfs/dbraw/zinc/43/34/49/1101433449.db2.gz IKCHXORPDCNPEU-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ncccc3c2)C1 ZINC001241400203 1101433454 /nfs/dbraw/zinc/43/34/54/1101433454.db2.gz IKCHXORPDCNPEU-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001196942338 1101439871 /nfs/dbraw/zinc/43/98/71/1101439871.db2.gz ALTRLBXTVKEWHH-MRXNPFEDSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001196942338 1101439885 /nfs/dbraw/zinc/43/98/85/1101439885.db2.gz ALTRLBXTVKEWHH-MRXNPFEDSA-N 2 2 305.466 3.323 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4scnc4c3)c2)C1 ZINC001241869157 1101757748 /nfs/dbraw/zinc/75/77/48/1101757748.db2.gz FQAWXNJJCDITMI-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4scnc4c3)c2)C1 ZINC001241869157 1101757757 /nfs/dbraw/zinc/75/77/57/1101757757.db2.gz FQAWXNJJCDITMI-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP Cc1cc(-c2cccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)c2)cc(C)[nH+]1 ZINC001241995723 1101844591 /nfs/dbraw/zinc/84/45/91/1101844591.db2.gz REBYELUZBHLFIP-WGSAOQKQSA-N 2 2 323.440 3.365 20 0 DGADLP COc1cccc2[nH]c(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc21 ZINC001241999740 1101848296 /nfs/dbraw/zinc/84/82/96/1101848296.db2.gz PRUJJUPWEBUYGL-HNNXBMFYSA-N 2 2 321.424 3.377 20 0 DGADLP COc1cccc2[nH]c(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc21 ZINC001241999740 1101848312 /nfs/dbraw/zinc/84/83/12/1101848312.db2.gz PRUJJUPWEBUYGL-HNNXBMFYSA-N 2 2 321.424 3.377 20 0 DGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1N(C)C ZINC001242241894 1102002352 /nfs/dbraw/zinc/00/23/52/1102002352.db2.gz FQJPBUIZUXBIFL-IBGZPJMESA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1N(C)C ZINC001242241894 1102002363 /nfs/dbraw/zinc/00/23/63/1102002363.db2.gz FQJPBUIZUXBIFL-IBGZPJMESA-N 2 2 309.457 3.261 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242307632 1102042952 /nfs/dbraw/zinc/04/29/52/1102042952.db2.gz ZYGCQJGIZCWRSP-AWEZNQCLSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242307632 1102042962 /nfs/dbraw/zinc/04/29/62/1102042962.db2.gz ZYGCQJGIZCWRSP-AWEZNQCLSA-N 2 2 302.368 3.473 20 0 DGADLP CC(C)(O)c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242625364 1102249163 /nfs/dbraw/zinc/24/91/63/1102249163.db2.gz FLWPGFKPTMJRFQ-SFHVURJKSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242625364 1102249171 /nfs/dbraw/zinc/24/91/71/1102249171.db2.gz FLWPGFKPTMJRFQ-SFHVURJKSA-N 2 2 310.441 3.114 20 0 DGADLP CCc1cc(OC)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242699913 1102292116 /nfs/dbraw/zinc/29/21/16/1102292116.db2.gz GICJHVQEITWKBQ-GOSISDBHSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(OC)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242699913 1102292128 /nfs/dbraw/zinc/29/21/28/1102292128.db2.gz GICJHVQEITWKBQ-GOSISDBHSA-N 2 2 310.441 3.458 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3OC3CC3)c2)C1 ZINC001242794706 1102347270 /nfs/dbraw/zinc/34/72/70/1102347270.db2.gz MGVRJMQSSBZYDI-KRWDZBQOSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3OC3CC3)c2)C1 ZINC001242794706 1102347283 /nfs/dbraw/zinc/34/72/83/1102347283.db2.gz MGVRJMQSSBZYDI-KRWDZBQOSA-N 2 2 308.425 3.428 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902044 1102395006 /nfs/dbraw/zinc/39/50/06/1102395006.db2.gz HBFKAPHZBPXZEC-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902044 1102395018 /nfs/dbraw/zinc/39/50/18/1102395018.db2.gz HBFKAPHZBPXZEC-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC001205902267 1102436777 /nfs/dbraw/zinc/43/67/77/1102436777.db2.gz JJWBCZFBKUWZPL-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Br ZINC001205902267 1102436784 /nfs/dbraw/zinc/43/67/84/1102436784.db2.gz JJWBCZFBKUWZPL-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903312 1102452160 /nfs/dbraw/zinc/45/21/60/1102452160.db2.gz OHYLAOCOSBQNFT-VWBJQBHQSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903312 1102452170 /nfs/dbraw/zinc/45/21/70/1102452170.db2.gz OHYLAOCOSBQNFT-VWBJQBHQSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903578 1102454179 /nfs/dbraw/zinc/45/41/79/1102454179.db2.gz QDDWEMJTSJDTOI-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903578 1102454192 /nfs/dbraw/zinc/45/41/92/1102454192.db2.gz QDDWEMJTSJDTOI-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP CCOC(=O)c1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001243041662 1102492637 /nfs/dbraw/zinc/49/26/37/1102492637.db2.gz WNXKQBIJQHNXRS-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001243041662 1102492645 /nfs/dbraw/zinc/49/26/45/1102492645.db2.gz WNXKQBIJQHNXRS-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001243041496 1102492923 /nfs/dbraw/zinc/49/29/23/1102492923.db2.gz SRBXMAILEDWKRH-SFHVURJKSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001243041496 1102492929 /nfs/dbraw/zinc/49/29/29/1102492929.db2.gz SRBXMAILEDWKRH-SFHVURJKSA-N 2 2 324.424 3.063 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)c(O)c3)c2)C1 ZINC001243583940 1102826198 /nfs/dbraw/zinc/82/61/98/1102826198.db2.gz NMJQALZJUDMAHW-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)c(O)c3)c2)C1 ZINC001243583940 1102826206 /nfs/dbraw/zinc/82/62/06/1102826206.db2.gz NMJQALZJUDMAHW-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP C[NH+]1CCC(c2ccc(-c3ccn4cc(N)[nH+]c4c3)cc2)CC1 ZINC001243650926 1102884266 /nfs/dbraw/zinc/88/42/66/1102884266.db2.gz CNNMUVGEYSTRPX-UHFFFAOYSA-N 2 2 306.413 3.393 20 0 DGADLP c1cn(-c2cc[nH+]c(-c3ccc(Cn4cc[nH+]c4)cc3)c2)cn1 ZINC001243656590 1102888451 /nfs/dbraw/zinc/88/84/51/1102888451.db2.gz NKHSTOSHVAWNGU-UHFFFAOYSA-N 2 2 301.353 3.179 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(Cl)cccc3CO)cc2)C1 ZINC001243713311 1102934284 /nfs/dbraw/zinc/93/42/84/1102934284.db2.gz FPZGQPYTAOPMIT-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(Cl)cccc3CO)cc2)C1 ZINC001243713311 1102934291 /nfs/dbraw/zinc/93/42/91/1102934291.db2.gz FPZGQPYTAOPMIT-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(CO)c(Cl)c2)C1 ZINC001243821378 1102995385 /nfs/dbraw/zinc/99/53/85/1102995385.db2.gz FRNJNOUPJZDINC-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(CO)c(Cl)c2)C1 ZINC001243821378 1102995391 /nfs/dbraw/zinc/99/53/91/1102995391.db2.gz FRNJNOUPJZDINC-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccnc(OCC4CC4)c3)c2)C1 ZINC001243923618 1103057808 /nfs/dbraw/zinc/05/78/08/1103057808.db2.gz FQLCMTDCXXLEQQ-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccnc(OCC4CC4)c3)c2)C1 ZINC001243923618 1103057823 /nfs/dbraw/zinc/05/78/23/1103057823.db2.gz FQLCMTDCXXLEQQ-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001325659887 1103096073 /nfs/dbraw/zinc/09/60/73/1103096073.db2.gz NYGIHGIRUQCQJY-AWEZNQCLSA-N 2 2 309.885 3.226 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001325659887 1103096092 /nfs/dbraw/zinc/09/60/92/1103096092.db2.gz NYGIHGIRUQCQJY-AWEZNQCLSA-N 2 2 309.885 3.226 20 0 DGADLP CCc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1O ZINC001326067446 1103199851 /nfs/dbraw/zinc/19/98/51/1103199851.db2.gz YTVQRPQTAINFDL-UHFFFAOYSA-N 2 2 322.368 3.096 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244145537 1103234155 /nfs/dbraw/zinc/23/41/55/1103234155.db2.gz XOLDQIMIMDWWDM-IBGZPJMESA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244145537 1103234165 /nfs/dbraw/zinc/23/41/65/1103234165.db2.gz XOLDQIMIMDWWDM-IBGZPJMESA-N 2 2 307.441 3.467 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3N3CCCC3)c2)C1 ZINC001244182277 1103261369 /nfs/dbraw/zinc/26/13/69/1103261369.db2.gz GCABCEWTEFWRCO-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3N3CCCC3)c2)C1 ZINC001244182277 1103261383 /nfs/dbraw/zinc/26/13/83/1103261383.db2.gz GCABCEWTEFWRCO-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC12CN(Cc1c[nH+]c(C)n1C)C2 ZINC001276304764 1103264742 /nfs/dbraw/zinc/26/47/42/1103264742.db2.gz KYBHPWTZUDBXJW-KRWDZBQOSA-N 2 2 318.509 3.205 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]([NH3+])CC2CCCCC2)n1)c1ccccc1 ZINC001326979122 1103491394 /nfs/dbraw/zinc/49/13/94/1103491394.db2.gz SMPURWNZFDDGHQ-LSDHHAIUSA-N 2 2 300.406 3.088 20 0 DGADLP C[C@H](c1nc([C@H]([NH3+])c2ccccc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001326976713 1103492226 /nfs/dbraw/zinc/49/22/26/1103492226.db2.gz HWEGYUCRAFIFKV-QVHKTLOISA-N 2 2 300.406 3.052 20 0 DGADLP C[C@H](c1nc([C@H]([NH3+])c2ccccc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001326976713 1103492240 /nfs/dbraw/zinc/49/22/40/1103492240.db2.gz HWEGYUCRAFIFKV-QVHKTLOISA-N 2 2 300.406 3.052 20 0 DGADLP O=c1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001276355160 1103529798 /nfs/dbraw/zinc/52/97/98/1103529798.db2.gz LOXSKEONAPOREO-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001276355160 1103529806 /nfs/dbraw/zinc/52/98/06/1103529806.db2.gz LOXSKEONAPOREO-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)[nH]1 ZINC001276355160 1103529818 /nfs/dbraw/zinc/52/98/18/1103529818.db2.gz LOXSKEONAPOREO-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)[nH]1 ZINC001276355160 1103529833 /nfs/dbraw/zinc/52/98/33/1103529833.db2.gz LOXSKEONAPOREO-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP C[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)cc(F)c3F)CC2)C1 ZINC001276363800 1103540618 /nfs/dbraw/zinc/54/06/18/1103540618.db2.gz SABSUOJDFYKBHO-UHFFFAOYSA-N 2 2 312.379 3.412 20 0 DGADLP C[N@H+]1CCCC2(CC[NH+](Cc3cc(F)cc(F)c3F)CC2)C1 ZINC001276363800 1103540633 /nfs/dbraw/zinc/54/06/33/1103540633.db2.gz SABSUOJDFYKBHO-UHFFFAOYSA-N 2 2 312.379 3.412 20 0 DGADLP CSc1ncc(C)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244880462 1103740906 /nfs/dbraw/zinc/74/09/06/1103740906.db2.gz DPDDYHKNJHVFAQ-UHFFFAOYSA-N 2 2 310.426 3.113 20 0 DGADLP Cc1cc(Cl)ncc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244919486 1103760480 /nfs/dbraw/zinc/76/04/80/1103760480.db2.gz XABUEPQNGGXBAP-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1cc(Cl)ncc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244919486 1103760487 /nfs/dbraw/zinc/76/04/87/1103760487.db2.gz XABUEPQNGGXBAP-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001206564457 1103810852 /nfs/dbraw/zinc/81/08/52/1103810852.db2.gz OBEUAZRAZYJVRH-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001206564457 1103810862 /nfs/dbraw/zinc/81/08/62/1103810862.db2.gz OBEUAZRAZYJVRH-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cc(Cl)cc(CO)c3)c2)C1 ZINC001245093177 1103855847 /nfs/dbraw/zinc/85/58/47/1103855847.db2.gz COEZVJTVOVZHTF-SFHVURJKSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cc(Cl)cc(CO)c3)c2)C1 ZINC001245093177 1103855858 /nfs/dbraw/zinc/85/58/58/1103855858.db2.gz COEZVJTVOVZHTF-SFHVURJKSA-N 2 2 316.832 3.032 20 0 DGADLP Nc1c(Cl)cccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245181482 1103894543 /nfs/dbraw/zinc/89/45/43/1103894543.db2.gz QGQPRMDICZRCNJ-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1c(Cl)cccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245181482 1103894549 /nfs/dbraw/zinc/89/45/49/1103894549.db2.gz QGQPRMDICZRCNJ-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP CCCOc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001245230695 1103921322 /nfs/dbraw/zinc/92/13/22/1103921322.db2.gz JVNPDEJRHDIRNZ-SFHVURJKSA-N 2 2 311.429 3.070 20 0 DGADLP CCCOc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001245230695 1103921328 /nfs/dbraw/zinc/92/13/28/1103921328.db2.gz JVNPDEJRHDIRNZ-SFHVURJKSA-N 2 2 311.429 3.070 20 0 DGADLP c1cn(Cc2ccccc2C2=CC[C@@H]([NH+]3CCOCC3)CC2)c[nH+]1 ZINC001245423773 1104044144 /nfs/dbraw/zinc/04/41/44/1104044144.db2.gz DJWVGEZXAKKYOE-LJQANCHMSA-N 2 2 323.440 3.200 20 0 DGADLP COc1ccc2[nH]c(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2c1 ZINC001245591332 1104142073 /nfs/dbraw/zinc/14/20/73/1104142073.db2.gz DYISFUYNCSXPER-UHFFFAOYSA-N 2 2 318.380 3.178 20 0 DGADLP CCC[NH+]1CCC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001649171811 1104164521 /nfs/dbraw/zinc/16/45/21/1104164521.db2.gz WUWBMYJSPMRFLK-UHFFFAOYSA-N 3 2 318.490 3.145 20 0 DGADLP CCCC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246064727 1104365626 /nfs/dbraw/zinc/36/56/26/1104365626.db2.gz UIJLQUVYAUSCCI-QGZVFWFLSA-N 2 2 324.896 3.445 20 0 DGADLP CCCC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246064727 1104365637 /nfs/dbraw/zinc/36/56/37/1104365637.db2.gz UIJLQUVYAUSCCI-QGZVFWFLSA-N 2 2 324.896 3.445 20 0 DGADLP COc1c(F)cc(F)cc1C[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246074736 1104370897 /nfs/dbraw/zinc/37/08/97/1104370897.db2.gz DYMJRQSWOOOBCZ-ZFWWWQNUSA-N 2 2 312.404 3.230 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246089783 1104377530 /nfs/dbraw/zinc/37/75/30/1104377530.db2.gz DRQOKOQRJODXLU-ZWZTZDBGSA-N 2 2 320.786 3.229 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088785 1104378879 /nfs/dbraw/zinc/37/88/79/1104378879.db2.gz XOXOKJPHFPRFEJ-SNPRPXQTSA-N 2 2 314.470 3.360 20 0 DGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]1 ZINC001246168288 1104415683 /nfs/dbraw/zinc/41/56/83/1104415683.db2.gz JMXACURIQRUCIU-ZWKOTPCHSA-N 3 2 312.461 3.273 20 0 DGADLP c1ccc(COc2ccc(C[NH2+][C@H]3CCCC[NH2+]C3)cc2)cc1 ZINC001246213223 1104438916 /nfs/dbraw/zinc/43/89/16/1104438916.db2.gz DOKXOUUSLXRCSY-IBGZPJMESA-N 2 2 310.441 3.497 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246224804 1104446586 /nfs/dbraw/zinc/44/65/86/1104446586.db2.gz JDKYFEKMSWEWCJ-WCQYABFASA-N 2 2 302.796 3.484 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246231315 1104449488 /nfs/dbraw/zinc/44/94/88/1104449488.db2.gz PRUFGMLJGSCVIS-SNVBAGLBSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246252726 1104460709 /nfs/dbraw/zinc/46/07/09/1104460709.db2.gz BSMREIDXYQYMBE-VIQWUECVSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3OC(F)(F)F)C[NH2+]1 ZINC001246260281 1104462203 /nfs/dbraw/zinc/46/22/03/1104462203.db2.gz QXOXWZGSOSITFY-GYSYKLTISA-N 2 2 314.351 3.303 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246280323 1104472463 /nfs/dbraw/zinc/47/24/63/1104472463.db2.gz SZBIZVUQSYHKGA-MAUKXSAKSA-N 2 2 302.368 3.112 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246280387 1104472782 /nfs/dbraw/zinc/47/27/82/1104472782.db2.gz UNOFLHBSFZMIKA-BBRMVZONSA-N 2 2 320.358 3.251 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC001246299090 1104478443 /nfs/dbraw/zinc/47/84/43/1104478443.db2.gz FFPDXEHKDKOOTR-NEPJUHHUSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C[NH2+]1 ZINC001246316533 1104485415 /nfs/dbraw/zinc/48/54/15/1104485415.db2.gz HMYVELNQEZXEBW-FIXISWKDSA-N 2 2 309.251 3.167 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)o2)CC[NH2+]1 ZINC001246324174 1104488797 /nfs/dbraw/zinc/48/87/97/1104488797.db2.gz FYYLBELZHPDGRJ-NEPJUHHUSA-N 2 2 315.255 3.443 20 0 DGADLP c1ccc(CC2CCC([NH2+]C[C@H]3CSCC[NH2+]3)CC2)cc1 ZINC001246336562 1104497460 /nfs/dbraw/zinc/49/74/60/1104497460.db2.gz ODMYZVGKYVYURX-ABHNRTSZSA-N 2 2 304.503 3.083 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC001246349885 1104502312 /nfs/dbraw/zinc/50/23/12/1104502312.db2.gz HTNDMURCHYHOKU-PMACEKPBSA-N 3 2 321.553 3.397 20 0 DGADLP COc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1OC ZINC001246353156 1104504540 /nfs/dbraw/zinc/50/45/40/1104504540.db2.gz USXNDPYYNUYGFB-NTZNESFSSA-N 2 2 312.841 3.148 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H](CC2CCOCC2)c2cccc(F)c2)C[NH2+]1 ZINC001246409982 1104531551 /nfs/dbraw/zinc/53/15/51/1104531551.db2.gz VRMMIIWFDUWLIC-MDASCCDHSA-N 2 2 320.452 3.414 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246438921 1104540238 /nfs/dbraw/zinc/54/02/38/1104540238.db2.gz KWRJXXCAIGIFMZ-CZUORRHYSA-N 2 2 308.853 3.076 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2COc3c2cccc3OC)C[C@H](CC)[NH2+]1 ZINC001246516215 1104574468 /nfs/dbraw/zinc/57/44/68/1104574468.db2.gz UVYPGIQJRVWRCM-NHIYQJMISA-N 2 2 304.434 3.028 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246527425 1104576994 /nfs/dbraw/zinc/57/69/94/1104576994.db2.gz NFOUYYJTGFGOJF-FUMNGEBKSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246527425 1104577000 /nfs/dbraw/zinc/57/70/00/1104577000.db2.gz NFOUYYJTGFGOJF-FUMNGEBKSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246536151 1104582148 /nfs/dbraw/zinc/58/21/48/1104582148.db2.gz NAJFJRXLRRGEPL-JXXFODFXSA-N 2 2 309.457 3.422 20 0 DGADLP C[C@@H]1CC([N@H+]2CCn3cccc3[C@H]2c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246536151 1104582155 /nfs/dbraw/zinc/58/21/55/1104582155.db2.gz NAJFJRXLRRGEPL-JXXFODFXSA-N 2 2 309.457 3.422 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2N)[nH+]1 ZINC001330593513 1104587228 /nfs/dbraw/zinc/58/72/28/1104587228.db2.gz QKEZYVLCHHCOJB-HNNXBMFYSA-N 2 2 314.408 3.188 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc(F)c2N)[nH+]1 ZINC001330593513 1104587237 /nfs/dbraw/zinc/58/72/37/1104587237.db2.gz QKEZYVLCHHCOJB-HNNXBMFYSA-N 2 2 314.408 3.188 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC001246548894 1104588252 /nfs/dbraw/zinc/58/82/52/1104588252.db2.gz IGTVZUPIJJECGB-HNNXBMFYSA-N 2 2 309.251 3.338 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC001246548894 1104588260 /nfs/dbraw/zinc/58/82/60/1104588260.db2.gz IGTVZUPIJJECGB-HNNXBMFYSA-N 2 2 309.251 3.338 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1[C@@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246548210 1104588781 /nfs/dbraw/zinc/58/87/81/1104588781.db2.gz SZFVMFRFVFPBFE-AVGNSLFASA-N 2 2 308.853 3.018 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1[C@@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246548210 1104588787 /nfs/dbraw/zinc/58/87/87/1104588787.db2.gz SZFVMFRFVFPBFE-AVGNSLFASA-N 2 2 308.853 3.018 20 0 DGADLP CC(C)(C)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275050280 1104592839 /nfs/dbraw/zinc/59/28/39/1104592839.db2.gz AWVXDLZDASJVEC-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275050280 1104592846 /nfs/dbraw/zinc/59/28/46/1104592846.db2.gz AWVXDLZDASJVEC-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275050280 1104592852 /nfs/dbraw/zinc/59/28/52/1104592852.db2.gz AWVXDLZDASJVEC-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275050280 1104592857 /nfs/dbraw/zinc/59/28/57/1104592857.db2.gz AWVXDLZDASJVEC-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)C[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001275054916 1104595190 /nfs/dbraw/zinc/59/51/90/1104595190.db2.gz PQOLKGIPHOGUET-UHFFFAOYSA-N 2 2 312.461 3.117 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246572299 1104599856 /nfs/dbraw/zinc/59/98/56/1104599856.db2.gz WFPZFHVDGCJLTQ-MCIONIFRSA-N 2 2 322.880 3.265 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246572299 1104599862 /nfs/dbraw/zinc/59/98/62/1104599862.db2.gz WFPZFHVDGCJLTQ-MCIONIFRSA-N 2 2 322.880 3.265 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCOC[C@@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246580004 1104604020 /nfs/dbraw/zinc/60/40/20/1104604020.db2.gz DUVHETYKGRPDKF-ZHALLVOQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCOC[C@@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246580004 1104604023 /nfs/dbraw/zinc/60/40/23/1104604023.db2.gz DUVHETYKGRPDKF-ZHALLVOQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066500 1104605283 /nfs/dbraw/zinc/60/52/83/1104605283.db2.gz XCCWCIHCQSPFHM-VQIMIIECSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066500 1104605284 /nfs/dbraw/zinc/60/52/84/1104605284.db2.gz XCCWCIHCQSPFHM-VQIMIIECSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066500 1104605291 /nfs/dbraw/zinc/60/52/91/1104605291.db2.gz XCCWCIHCQSPFHM-VQIMIIECSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066500 1104605297 /nfs/dbraw/zinc/60/52/97/1104605297.db2.gz XCCWCIHCQSPFHM-VQIMIIECSA-N 2 2 318.509 3.063 20 0 DGADLP C[C@]1(F)CC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246586574 1104605715 /nfs/dbraw/zinc/60/57/15/1104605715.db2.gz BXJUJJUALRUCDJ-MLHJIOFPSA-N 2 2 308.416 3.122 20 0 DGADLP C[C@]1(F)CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246586574 1104605722 /nfs/dbraw/zinc/60/57/22/1104605722.db2.gz BXJUJJUALRUCDJ-MLHJIOFPSA-N 2 2 308.416 3.122 20 0 DGADLP Clc1ccc(OC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246584623 1104605864 /nfs/dbraw/zinc/60/58/64/1104605864.db2.gz BUHHEQFAUKPYMB-HNNXBMFYSA-N 2 2 308.853 3.325 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001246593931 1104612640 /nfs/dbraw/zinc/61/26/40/1104612640.db2.gz PEFXWTQWYHAJHA-MISYRCLQSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593931 1104612646 /nfs/dbraw/zinc/61/26/46/1104612646.db2.gz PEFXWTQWYHAJHA-MISYRCLQSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593931 1104612650 /nfs/dbraw/zinc/61/26/50/1104612650.db2.gz PEFXWTQWYHAJHA-MISYRCLQSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593931 1104612654 /nfs/dbraw/zinc/61/26/54/1104612654.db2.gz PEFXWTQWYHAJHA-MISYRCLQSA-N 3 2 315.505 3.100 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246605412 1104622720 /nfs/dbraw/zinc/62/27/20/1104622720.db2.gz BXWHLWGQPLRNEX-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246605412 1104622724 /nfs/dbraw/zinc/62/27/24/1104622724.db2.gz BXWHLWGQPLRNEX-QAPCUYQASA-N 2 2 304.865 3.415 20 0 DGADLP Fc1cccc2c1C[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613010 1104628304 /nfs/dbraw/zinc/62/83/04/1104628304.db2.gz KCDCXBWKZCULJE-QFBILLFUSA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613010 1104628312 /nfs/dbraw/zinc/62/83/12/1104628312.db2.gz KCDCXBWKZCULJE-QFBILLFUSA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613048 1104628552 /nfs/dbraw/zinc/62/85/52/1104628552.db2.gz KIWZEFUMEXZKCY-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613048 1104628557 /nfs/dbraw/zinc/62/85/57/1104628557.db2.gz KIWZEFUMEXZKCY-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620903 1104631354 /nfs/dbraw/zinc/63/13/54/1104631354.db2.gz OMXSVSGYXBPFGQ-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)C2 ZINC001246620903 1104631355 /nfs/dbraw/zinc/63/13/55/1104631355.db2.gz OMXSVSGYXBPFGQ-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP CCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118252 1104632442 /nfs/dbraw/zinc/63/24/42/1104632442.db2.gz UPESYEBMVAKFDV-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP CCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118252 1104632446 /nfs/dbraw/zinc/63/24/46/1104632446.db2.gz UPESYEBMVAKFDV-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP CCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118252 1104632448 /nfs/dbraw/zinc/63/24/48/1104632448.db2.gz UPESYEBMVAKFDV-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP CCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118252 1104632456 /nfs/dbraw/zinc/63/24/56/1104632456.db2.gz UPESYEBMVAKFDV-IBGZPJMESA-N 2 2 317.477 3.265 20 0 DGADLP C1CCC2(CC1)CCC([N@@H+]1CCC[C@]3(C[NH2+]CCO3)C1)CC2 ZINC001246646508 1104643548 /nfs/dbraw/zinc/64/35/48/1104643548.db2.gz FOSIBWGMDGABLV-IBGZPJMESA-N 2 2 306.494 3.334 20 0 DGADLP C1CCC2(CC1)CCC([N@H+]1CCC[C@]3(C[NH2+]CCO3)C1)CC2 ZINC001246646508 1104643556 /nfs/dbraw/zinc/64/35/56/1104643556.db2.gz FOSIBWGMDGABLV-IBGZPJMESA-N 2 2 306.494 3.334 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649892 1104648039 /nfs/dbraw/zinc/64/80/39/1104648039.db2.gz RGIHLMFUBUKZGO-CYBMUJFWSA-N 2 2 323.278 3.208 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC001246650879 1104648132 /nfs/dbraw/zinc/64/81/32/1104648132.db2.gz JMGHZSNUXFNZGM-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC001246650879 1104648138 /nfs/dbraw/zinc/64/81/38/1104648138.db2.gz JMGHZSNUXFNZGM-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246652414 1104649503 /nfs/dbraw/zinc/64/95/03/1104649503.db2.gz OOSROCIAOAHTNL-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246652414 1104649509 /nfs/dbraw/zinc/64/95/09/1104649509.db2.gz OOSROCIAOAHTNL-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246661035 1104652316 /nfs/dbraw/zinc/65/23/16/1104652316.db2.gz GCJQTESBBXQMND-YUXAGFNASA-N 2 2 318.464 3.424 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246661035 1104652321 /nfs/dbraw/zinc/65/23/21/1104652321.db2.gz GCJQTESBBXQMND-YUXAGFNASA-N 2 2 318.464 3.424 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717834 1104665694 /nfs/dbraw/zinc/66/56/94/1104665694.db2.gz WQCSIKQDIBEQMH-LMCOJAPRSA-N 2 2 314.473 3.166 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717834 1104665698 /nfs/dbraw/zinc/66/56/98/1104665698.db2.gz WQCSIKQDIBEQMH-LMCOJAPRSA-N 2 2 314.473 3.166 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787755 1104675086 /nfs/dbraw/zinc/67/50/86/1104675086.db2.gz MRHTVZASLLQZKP-ROUUACIJSA-N 2 2 322.880 3.463 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787755 1104675090 /nfs/dbraw/zinc/67/50/90/1104675090.db2.gz MRHTVZASLLQZKP-ROUUACIJSA-N 2 2 322.880 3.463 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798344 1104681146 /nfs/dbraw/zinc/68/11/46/1104681146.db2.gz SFLRDUZSKBWGBL-HZMVEIRTSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798344 1104681147 /nfs/dbraw/zinc/68/11/47/1104681147.db2.gz SFLRDUZSKBWGBL-HZMVEIRTSA-N 2 2 324.509 3.492 20 0 DGADLP c1cn(CC[NH2+][C@]23CC[C@]([NH2+]Cc4ccccc4)(C2)CCC3)c[nH+]1 ZINC001275242256 1104688351 /nfs/dbraw/zinc/68/83/51/1104688351.db2.gz AUUDEDHJLIDOMH-UXHICEINSA-N 3 2 324.472 3.108 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1OC ZINC001275255227 1104692338 /nfs/dbraw/zinc/69/23/38/1104692338.db2.gz GOMCWTPHLKULFX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1OC ZINC001275255227 1104692341 /nfs/dbraw/zinc/69/23/41/1104692341.db2.gz GOMCWTPHLKULFX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1OC ZINC001275255227 1104692343 /nfs/dbraw/zinc/69/23/43/1104692343.db2.gz GOMCWTPHLKULFX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1OC ZINC001275255227 1104692348 /nfs/dbraw/zinc/69/23/48/1104692348.db2.gz GOMCWTPHLKULFX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CC[C@@H](Cc1ccccc1)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827342 1104694956 /nfs/dbraw/zinc/69/49/56/1104694956.db2.gz JKHKTHXPHDXYKQ-ILXRZTDVSA-N 2 2 300.368 3.219 20 0 DGADLP CC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827342 1104694959 /nfs/dbraw/zinc/69/49/59/1104694959.db2.gz JKHKTHXPHDXYKQ-ILXRZTDVSA-N 2 2 300.368 3.219 20 0 DGADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275266897 1104698444 /nfs/dbraw/zinc/69/84/44/1104698444.db2.gz YAJPKIDRFUURHR-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275266897 1104698448 /nfs/dbraw/zinc/69/84/48/1104698448.db2.gz YAJPKIDRFUURHR-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275266897 1104698453 /nfs/dbraw/zinc/69/84/53/1104698453.db2.gz YAJPKIDRFUURHR-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275266897 1104698458 /nfs/dbraw/zinc/69/84/58/1104698458.db2.gz YAJPKIDRFUURHR-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+](C3C[C@H](C)[NH2+][C@@H](C)C3)CCO2)cc1 ZINC001246839776 1104700840 /nfs/dbraw/zinc/70/08/40/1104700840.db2.gz LYYSESUEJHMSHR-BXWFABGCSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+](C3C[C@H](C)[NH2+][C@@H](C)C3)CCO2)cc1 ZINC001246839776 1104700842 /nfs/dbraw/zinc/70/08/42/1104700842.db2.gz LYYSESUEJHMSHR-BXWFABGCSA-N 2 2 302.462 3.071 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840614 1104701960 /nfs/dbraw/zinc/70/19/60/1104701960.db2.gz OLYLATXFAOXZIJ-QYZOEREBSA-N 2 2 302.462 3.073 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840614 1104701967 /nfs/dbraw/zinc/70/19/67/1104701967.db2.gz OLYLATXFAOXZIJ-QYZOEREBSA-N 2 2 302.462 3.073 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)C[C@H](C)[NH2+]1 ZINC001246843427 1104703009 /nfs/dbraw/zinc/70/30/09/1104703009.db2.gz JWJLOZFETRVCQM-DACLVMHWSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)C[C@H](C)[NH2+]1 ZINC001246843427 1104703015 /nfs/dbraw/zinc/70/30/15/1104703015.db2.gz JWJLOZFETRVCQM-DACLVMHWSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870734 1104713888 /nfs/dbraw/zinc/71/38/88/1104713888.db2.gz ZNTHEMSPKOPMLJ-INWMFGNUSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870734 1104713896 /nfs/dbraw/zinc/71/38/96/1104713896.db2.gz ZNTHEMSPKOPMLJ-INWMFGNUSA-N 2 2 312.379 3.320 20 0 DGADLP CC1(C)C[NH+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC(C)(C)O1 ZINC001246898696 1104727468 /nfs/dbraw/zinc/72/74/68/1104727468.db2.gz ZRVYXCVIIIJJPR-IRXDYDNUSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](Cc1ccccn1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920111 1104738916 /nfs/dbraw/zinc/73/89/16/1104738916.db2.gz JEWSCXJOBVTHSM-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccccn1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920111 1104738920 /nfs/dbraw/zinc/73/89/20/1104738920.db2.gz JEWSCXJOBVTHSM-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCCSC2)c1 ZINC001246938111 1104744120 /nfs/dbraw/zinc/74/41/20/1104744120.db2.gz QSILNSLWKHWVLV-IAGOWNOFSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCCSC2)c1 ZINC001246938111 1104744124 /nfs/dbraw/zinc/74/41/24/1104744124.db2.gz QSILNSLWKHWVLV-IAGOWNOFSA-N 2 2 308.466 3.275 20 0 DGADLP Cn1cc(-c2ccc(C3CC[NH+]([C@@H]4CCC[NH2+]C4)CC3)cc2)cn1 ZINC001246987442 1104764327 /nfs/dbraw/zinc/76/43/27/1104764327.db2.gz GWXPBODNMCBUOV-HXUWFJFHSA-N 2 2 324.472 3.019 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246994673 1104768052 /nfs/dbraw/zinc/76/80/52/1104768052.db2.gz CPCXUZGTKNKVNO-OCCSQVGLSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246994673 1104768058 /nfs/dbraw/zinc/76/80/58/1104768058.db2.gz CPCXUZGTKNKVNO-OCCSQVGLSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012213 1104777286 /nfs/dbraw/zinc/77/72/86/1104777286.db2.gz CWQKAYUTJHTHDD-XNJGSVPQSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012213 1104777291 /nfs/dbraw/zinc/77/72/91/1104777291.db2.gz CWQKAYUTJHTHDD-XNJGSVPQSA-N 2 2 310.844 3.484 20 0 DGADLP c1cc2cc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)cnc2[nH]1 ZINC001275641021 1104845419 /nfs/dbraw/zinc/84/54/19/1104845419.db2.gz ZFSKHDOOUALATK-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1cc2cc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)cnc2[nH]1 ZINC001275641021 1104845427 /nfs/dbraw/zinc/84/54/27/1104845427.db2.gz ZFSKHDOOUALATK-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275780906 1104904037 /nfs/dbraw/zinc/90/40/37/1104904037.db2.gz LNPQTBXRGMLEKX-IRXDYDNUSA-N 2 2 317.477 3.295 20 0 DGADLP CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275780904 1104904177 /nfs/dbraw/zinc/90/41/77/1104904177.db2.gz LNPQTBXRGMLEKX-IAGOWNOFSA-N 2 2 317.477 3.295 20 0 DGADLP c1[nH]nc2cccc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)c12 ZINC001275799593 1104912953 /nfs/dbraw/zinc/91/29/53/1104912953.db2.gz YEXODUDAUBMBLH-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1[nH]nc2cccc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)c12 ZINC001275799593 1104912956 /nfs/dbraw/zinc/91/29/56/1104912956.db2.gz YEXODUDAUBMBLH-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873736 1104939125 /nfs/dbraw/zinc/93/91/25/1104939125.db2.gz DUOMWFIYIGHHGY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873736 1104939131 /nfs/dbraw/zinc/93/91/31/1104939131.db2.gz DUOMWFIYIGHHGY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873736 1104939135 /nfs/dbraw/zinc/93/91/35/1104939135.db2.gz DUOMWFIYIGHHGY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873736 1104939138 /nfs/dbraw/zinc/93/91/38/1104939138.db2.gz DUOMWFIYIGHHGY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c[nH+]1 ZINC001276217281 1105052341 /nfs/dbraw/zinc/05/23/41/1105052341.db2.gz AWJJPQQYVRHFAW-HDICACEKSA-N 2 2 316.493 3.344 20 0 DGADLP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c[nH+]1 ZINC001276217281 1105052346 /nfs/dbraw/zinc/05/23/46/1105052346.db2.gz AWJJPQQYVRHFAW-HDICACEKSA-N 2 2 316.493 3.344 20 0 DGADLP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)[nH+]1 ZINC001276217281 1105052352 /nfs/dbraw/zinc/05/23/52/1105052352.db2.gz AWJJPQQYVRHFAW-HDICACEKSA-N 2 2 316.493 3.344 20 0 DGADLP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)[nH+]1 ZINC001276217281 1105052358 /nfs/dbraw/zinc/05/23/58/1105052358.db2.gz AWJJPQQYVRHFAW-HDICACEKSA-N 2 2 316.493 3.344 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248881670 1105185507 /nfs/dbraw/zinc/18/55/07/1105185507.db2.gz CRJAIJOSMJTEJR-CYBMUJFWSA-N 2 2 311.389 3.011 20 0 DGADLP CCc1ccc(C)[nH+]c1NC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001249553301 1105311191 /nfs/dbraw/zinc/31/11/91/1105311191.db2.gz WPBVRCHZJBQHFE-QGZVFWFLSA-N 2 2 301.434 3.133 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001250117312 1105445816 /nfs/dbraw/zinc/44/58/16/1105445816.db2.gz MOOSNECTKVQXMR-UHFFFAOYSA-N 2 2 308.441 3.447 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001250117312 1105445818 /nfs/dbraw/zinc/44/58/18/1105445818.db2.gz MOOSNECTKVQXMR-UHFFFAOYSA-N 2 2 308.441 3.447 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3ncccc23)C2CCCC2)CC1 ZINC001137407263 1105516359 /nfs/dbraw/zinc/51/63/59/1105516359.db2.gz HTYQOMNHBRGTOK-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3ncccc23)C2CCCC2)CC1 ZINC001137407263 1105516364 /nfs/dbraw/zinc/51/63/64/1105516364.db2.gz HTYQOMNHBRGTOK-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3c(c(OC)c2)OCC=C3)CC1 ZINC001250512877 1105528600 /nfs/dbraw/zinc/52/86/00/1105528600.db2.gz PVUBPYTVOIIOMK-UHFFFAOYSA-N 2 2 316.445 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(c(OC)c2)OCC=C3)CC1 ZINC001250512877 1105528607 /nfs/dbraw/zinc/52/86/07/1105528607.db2.gz PVUBPYTVOIIOMK-UHFFFAOYSA-N 2 2 316.445 3.017 20 0 DGADLP Cc1ccc(CCc2[nH]c3c(cccc3N3CC[NH+](C)CC3)[nH+]2)o1 ZINC001250559798 1105537112 /nfs/dbraw/zinc/53/71/12/1105537112.db2.gz AGKCGAMSSBCBBP-UHFFFAOYSA-N 2 2 324.428 3.001 20 0 DGADLP O[C@@H](C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1)c1ccccc1 ZINC001252013747 1105725714 /nfs/dbraw/zinc/72/57/14/1105725714.db2.gz YGYMADJEZCCJGC-SFTDATJTSA-N 2 2 324.468 3.017 20 0 DGADLP CC(C)C[C@H](C(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001491492101 1105833715 /nfs/dbraw/zinc/83/37/15/1105833715.db2.gz VCXXFLAFUZHUFH-HZPDHXFCSA-N 2 2 322.497 3.001 20 0 DGADLP CC(C)C[C@@H](C(=O)NC[C@H](C)[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001491492099 1105833875 /nfs/dbraw/zinc/83/38/75/1105833875.db2.gz VCXXFLAFUZHUFH-HOTGVXAUSA-N 2 2 322.497 3.001 20 0 DGADLP CCC/C=C\CC[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491503088 1105836065 /nfs/dbraw/zinc/83/60/65/1105836065.db2.gz DNADURXEQHVATE-GXMNPTEKSA-N 2 2 314.433 3.017 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)n1cc[nH+]c1CC[NH3+] ZINC001256212447 1105851977 /nfs/dbraw/zinc/85/19/77/1105851977.db2.gz CVTLSQQWCNEQNQ-LBPRGKRZSA-N 2 2 322.250 3.341 20 0 DGADLP C[NH+]1CCC([N@H+](C[C@](C)(O)c2ccccc2)C2CCCC2)CC1 ZINC001253107326 1105890186 /nfs/dbraw/zinc/89/01/86/1105890186.db2.gz NNMFHCDGHOQBNQ-FQEVSTJZSA-N 2 2 316.489 3.233 20 0 DGADLP C[NH+]1CCC([N@@H+](C[C@](C)(O)c2ccccc2)C2CCCC2)CC1 ZINC001253107326 1105890192 /nfs/dbraw/zinc/89/01/92/1105890192.db2.gz NNMFHCDGHOQBNQ-FQEVSTJZSA-N 2 2 316.489 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1Cl ZINC001253383253 1105933088 /nfs/dbraw/zinc/93/30/88/1105933088.db2.gz CIBZIUVSVZHSKY-JQWIXIFHSA-N 2 2 319.276 3.393 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253388260 1105933954 /nfs/dbraw/zinc/93/39/54/1105933954.db2.gz DSEJAQLBRGUTGY-GFCCVEGCSA-N 2 2 319.276 3.174 20 0 DGADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253388260 1105933958 /nfs/dbraw/zinc/93/39/58/1105933958.db2.gz DSEJAQLBRGUTGY-GFCCVEGCSA-N 2 2 319.276 3.174 20 0 DGADLP c1cncc(C[N@H+]2C[C@@H]3C[NH+](C4CCC5(CC5)CC4)C[C@@H]3C2)c1 ZINC001254442237 1106071280 /nfs/dbraw/zinc/07/12/80/1106071280.db2.gz DTZAXZCFAPENIY-HDICACEKSA-N 2 2 311.473 3.168 20 0 DGADLP c1cncc(C[N@@H+]2C[C@@H]3C[NH+](C4CCC5(CC5)CC4)C[C@@H]3C2)c1 ZINC001254442237 1106071286 /nfs/dbraw/zinc/07/12/86/1106071286.db2.gz DTZAXZCFAPENIY-HDICACEKSA-N 2 2 311.473 3.168 20 0 DGADLP c1cncc(C[NH+]2C[C@@H]3C[N@H+](C4CCC5(CC5)CC4)C[C@@H]3C2)c1 ZINC001254442237 1106071291 /nfs/dbraw/zinc/07/12/91/1106071291.db2.gz DTZAXZCFAPENIY-HDICACEKSA-N 2 2 311.473 3.168 20 0 DGADLP c1cncc(C[NH+]2C[C@@H]3C[N@@H+](C4CCC5(CC5)CC4)C[C@@H]3C2)c1 ZINC001254442237 1106071295 /nfs/dbraw/zinc/07/12/95/1106071295.db2.gz DTZAXZCFAPENIY-HDICACEKSA-N 2 2 311.473 3.168 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254522227 1106090749 /nfs/dbraw/zinc/09/07/49/1106090749.db2.gz FEKIIBDHVMOZAA-FQEVSTJZSA-N 3 2 315.505 3.067 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[NH+](C)CC2)CC1 ZINC001254522227 1106090754 /nfs/dbraw/zinc/09/07/54/1106090754.db2.gz FEKIIBDHVMOZAA-FQEVSTJZSA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522227 1106090757 /nfs/dbraw/zinc/09/07/57/1106090757.db2.gz FEKIIBDHVMOZAA-FQEVSTJZSA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522227 1106090762 /nfs/dbraw/zinc/09/07/62/1106090762.db2.gz FEKIIBDHVMOZAA-FQEVSTJZSA-N 3 2 315.505 3.067 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528600 1106095212 /nfs/dbraw/zinc/09/52/12/1106095212.db2.gz HMWHXRPNLWGOPK-QZTJIDSGSA-N 2 2 322.880 3.372 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528600 1106095215 /nfs/dbraw/zinc/09/52/15/1106095215.db2.gz HMWHXRPNLWGOPK-QZTJIDSGSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528600 1106095217 /nfs/dbraw/zinc/09/52/17/1106095217.db2.gz HMWHXRPNLWGOPK-QZTJIDSGSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528600 1106095220 /nfs/dbraw/zinc/09/52/20/1106095220.db2.gz HMWHXRPNLWGOPK-QZTJIDSGSA-N 2 2 322.880 3.372 20 0 DGADLP c1cc(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc(N2CCCCC2)c1 ZINC001254836907 1106146118 /nfs/dbraw/zinc/14/61/18/1106146118.db2.gz PYKCKBQTWFQWAF-IBGZPJMESA-N 2 2 313.489 3.251 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840759 1106146687 /nfs/dbraw/zinc/14/66/87/1106146687.db2.gz NNUKOASPIFDKQS-MRXNPFEDSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840758 1106146786 /nfs/dbraw/zinc/14/67/86/1106146786.db2.gz NNUKOASPIFDKQS-INIZCTEOSA-N 2 2 312.379 3.322 20 0 DGADLP Fc1cccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCC2)c1 ZINC001254846536 1106148167 /nfs/dbraw/zinc/14/81/67/1106148167.db2.gz WELCHPIRNFTBSV-SFHVURJKSA-N 2 2 302.437 3.365 20 0 DGADLP [NH3+]C1(c2ccccc2F)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001255016892 1106166101 /nfs/dbraw/zinc/16/61/01/1106166101.db2.gz YFFXORIJTWVGNF-UHFFFAOYSA-N 2 2 310.416 3.243 20 0 DGADLP CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103255161 1106183160 /nfs/dbraw/zinc/18/31/60/1106183160.db2.gz RBPPDQQQEDINIG-RHSMWYFYSA-N 2 2 317.477 3.105 20 0 DGADLP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103255161 1106183161 /nfs/dbraw/zinc/18/31/61/1106183161.db2.gz RBPPDQQQEDINIG-RHSMWYFYSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001255124022 1106184060 /nfs/dbraw/zinc/18/40/60/1106184060.db2.gz ZOVZPPJHLXOJDF-VJDPLVQDSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255124022 1106184061 /nfs/dbraw/zinc/18/40/61/1106184061.db2.gz ZOVZPPJHLXOJDF-VJDPLVQDSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1[nH+]cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001255124752 1106185117 /nfs/dbraw/zinc/18/51/17/1106185117.db2.gz NQBYVJBTTVDVHD-REPLKXPHSA-N 3 2 324.472 3.061 20 0 DGADLP Cc1[nH+]cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001255124752 1106185120 /nfs/dbraw/zinc/18/51/20/1106185120.db2.gz NQBYVJBTTVDVHD-REPLKXPHSA-N 3 2 324.472 3.061 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC001255275234 1106214169 /nfs/dbraw/zinc/21/41/69/1106214169.db2.gz UFMQQRUNIYMNSZ-KRWDZBQOSA-N 2 2 308.466 3.194 20 0 DGADLP CCCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001255325720 1106222356 /nfs/dbraw/zinc/22/23/56/1106222356.db2.gz KEJLBAXMCARDAL-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001255325720 1106222358 /nfs/dbraw/zinc/22/23/58/1106222358.db2.gz KEJLBAXMCARDAL-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001255325720 1106222359 /nfs/dbraw/zinc/22/23/59/1106222359.db2.gz KEJLBAXMCARDAL-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001255325720 1106222360 /nfs/dbraw/zinc/22/23/60/1106222360.db2.gz KEJLBAXMCARDAL-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP F[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400339 1106244539 /nfs/dbraw/zinc/24/45/39/1106244539.db2.gz IRIIDODWNUESEP-CADBVGFASA-N 2 2 302.437 3.331 20 0 DGADLP F[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400339 1106244543 /nfs/dbraw/zinc/24/45/43/1106244543.db2.gz IRIIDODWNUESEP-CADBVGFASA-N 2 2 302.437 3.331 20 0 DGADLP F[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400339 1106244546 /nfs/dbraw/zinc/24/45/46/1106244546.db2.gz IRIIDODWNUESEP-CADBVGFASA-N 2 2 302.437 3.331 20 0 DGADLP F[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400339 1106244548 /nfs/dbraw/zinc/24/45/48/1106244548.db2.gz IRIIDODWNUESEP-CADBVGFASA-N 2 2 302.437 3.331 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255682159 1106293632 /nfs/dbraw/zinc/29/36/32/1106293632.db2.gz CJPUKWSOLNLURI-DFNIBXOVSA-N 3 2 307.526 3.198 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255682159 1106293635 /nfs/dbraw/zinc/29/36/35/1106293635.db2.gz CJPUKWSOLNLURI-DFNIBXOVSA-N 3 2 307.526 3.198 20 0 DGADLP CCCC[NH+]1CCC([NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255682159 1106293638 /nfs/dbraw/zinc/29/36/38/1106293638.db2.gz CJPUKWSOLNLURI-DFNIBXOVSA-N 3 2 307.526 3.198 20 0 DGADLP CCCC[NH+]1CCC([NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255682159 1106293643 /nfs/dbraw/zinc/29/36/43/1106293643.db2.gz CJPUKWSOLNLURI-DFNIBXOVSA-N 3 2 307.526 3.198 20 0 DGADLP Cc1ccc(C[C@@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001255793685 1106317411 /nfs/dbraw/zinc/31/74/11/1106317411.db2.gz OVLNVRRDHOVFOO-QGZVFWFLSA-N 2 2 324.472 3.155 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(Br)n1 ZINC001255944892 1106346138 /nfs/dbraw/zinc/34/61/38/1106346138.db2.gz CHCWRVGKZFHYMJ-LBPRGKRZSA-N 2 2 314.271 3.054 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1c(OC)cccc1OC ZINC001255948140 1106346927 /nfs/dbraw/zinc/34/69/27/1106346927.db2.gz GBRVUSWPZPPJMZ-CABCVRRESA-N 2 2 308.466 3.475 20 0 DGADLP CC[NH+](CC)CC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001255953497 1106349029 /nfs/dbraw/zinc/34/90/29/1106349029.db2.gz RUDFECCFLXHQHF-HNNXBMFYSA-N 3 2 300.450 3.302 20 0 DGADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)nc1 ZINC001256071657 1106364361 /nfs/dbraw/zinc/36/43/61/1106364361.db2.gz JRDPZSTZUSFMHW-KRWDZBQOSA-N 2 2 305.853 3.403 20 0 DGADLP Fc1ccc(F)c(O[C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256078120 1106366226 /nfs/dbraw/zinc/36/62/26/1106366226.db2.gz UWCJRVYKGQMKFB-MRXNPFEDSA-N 2 2 322.399 3.045 20 0 DGADLP Fc1ccc(F)c(O[C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256078120 1106366228 /nfs/dbraw/zinc/36/62/28/1106366228.db2.gz UWCJRVYKGQMKFB-MRXNPFEDSA-N 2 2 322.399 3.045 20 0 DGADLP COc1cccc(C[C@H](C)n2c[nH+]c(C)c2CSCC[NH3+])c1 ZINC001256150289 1106378875 /nfs/dbraw/zinc/37/88/75/1106378875.db2.gz YMHADDBQRZFRQB-ZDUSSCGKSA-N 2 2 319.474 3.196 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]CC[NH+]1CCCC1 ZINC001256169577 1106383391 /nfs/dbraw/zinc/38/33/91/1106383391.db2.gz AYXTVKMMZYJGNF-ZDUSSCGKSA-N 2 2 311.267 3.066 20 0 DGADLP C[NH+]1CCC([NH+]2CCC(Oc3ccc(Cl)cc3)CC2)CC1 ZINC001256203249 1106389711 /nfs/dbraw/zinc/38/97/11/1106389711.db2.gz UKAMEQIKNCFMNG-UHFFFAOYSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC([NH2+][C@H]2CCOc3cc(C(F)(F)F)ccc32)CC1 ZINC001256199423 1106390234 /nfs/dbraw/zinc/39/02/34/1106390234.db2.gz PZPOTJVIAJFWTQ-AWEZNQCLSA-N 2 2 314.351 3.213 20 0 DGADLP CCOC1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001256446746 1106424485 /nfs/dbraw/zinc/42/44/85/1106424485.db2.gz FXPUPCJBZVDTQL-UHFFFAOYSA-N 2 2 321.440 3.127 20 0 DGADLP CCOC1CCC([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001256447586 1106425000 /nfs/dbraw/zinc/42/50/00/1106425000.db2.gz PVWOXKCUJSZPDT-OFLPRAFFSA-N 2 2 304.434 3.191 20 0 DGADLP CCOC1CCC([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001256447586 1106425003 /nfs/dbraw/zinc/42/50/03/1106425003.db2.gz PVWOXKCUJSZPDT-OFLPRAFFSA-N 2 2 304.434 3.191 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522163 1106433400 /nfs/dbraw/zinc/43/34/00/1106433400.db2.gz IBNMHRONHSRIND-RDJZCZTQSA-N 2 2 302.462 3.244 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522163 1106433402 /nfs/dbraw/zinc/43/34/02/1106433402.db2.gz IBNMHRONHSRIND-RDJZCZTQSA-N 2 2 302.462 3.244 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC001256529973 1106435459 /nfs/dbraw/zinc/43/54/59/1106435459.db2.gz ZKEHBQPPDOQPKQ-DFQSSKMNSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC001256529973 1106435460 /nfs/dbraw/zinc/43/54/60/1106435460.db2.gz ZKEHBQPPDOQPKQ-DFQSSKMNSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529973 1106435463 /nfs/dbraw/zinc/43/54/63/1106435463.db2.gz ZKEHBQPPDOQPKQ-DFQSSKMNSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529973 1106435465 /nfs/dbraw/zinc/43/54/65/1106435465.db2.gz ZKEHBQPPDOQPKQ-DFQSSKMNSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCCCC23COC3)CC[N@@H+]1Cc1ccccc1 ZINC001256549938 1106440627 /nfs/dbraw/zinc/44/06/27/1106440627.db2.gz KAQSOWVMNOBKDR-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCCCC23COC3)CC[N@H+]1Cc1ccccc1 ZINC001256549938 1106440628 /nfs/dbraw/zinc/44/06/28/1106440628.db2.gz KAQSOWVMNOBKDR-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549938 1106440630 /nfs/dbraw/zinc/44/06/30/1106440630.db2.gz KAQSOWVMNOBKDR-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549938 1106440631 /nfs/dbraw/zinc/44/06/31/1106440631.db2.gz KAQSOWVMNOBKDR-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCCCC23COC3)CC[N@@H+]1Cc1ccccc1 ZINC001256549934 1106441343 /nfs/dbraw/zinc/44/13/43/1106441343.db2.gz KAQSOWVMNOBKDR-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCCCC23COC3)CC[N@H+]1Cc1ccccc1 ZINC001256549934 1106441345 /nfs/dbraw/zinc/44/13/45/1106441345.db2.gz KAQSOWVMNOBKDR-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549934 1106441347 /nfs/dbraw/zinc/44/13/47/1106441347.db2.gz KAQSOWVMNOBKDR-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549934 1106441351 /nfs/dbraw/zinc/44/13/51/1106441351.db2.gz KAQSOWVMNOBKDR-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC3(CSC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561177 1106444864 /nfs/dbraw/zinc/44/48/64/1106444864.db2.gz VYWPBMUKWGHTJR-RDJZCZTQSA-N 2 2 302.487 3.088 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC3(CSC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561177 1106444866 /nfs/dbraw/zinc/44/48/66/1106444866.db2.gz VYWPBMUKWGHTJR-RDJZCZTQSA-N 2 2 302.487 3.088 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001256563804 1106445848 /nfs/dbraw/zinc/44/58/48/1106445848.db2.gz HRQNPOWUKWFFQJ-UHFFFAOYSA-N 2 2 315.383 3.453 20 0 DGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC001256599462 1106452033 /nfs/dbraw/zinc/45/20/33/1106452033.db2.gz RDBAOUNDDFYMIM-QGZVFWFLSA-N 2 2 316.470 3.036 20 0 DGADLP Clc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001256598281 1106452162 /nfs/dbraw/zinc/45/21/62/1106452162.db2.gz RGYJQLULUNPQBF-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP C[C@@H](Cc1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256748428 1106479690 /nfs/dbraw/zinc/47/96/90/1106479690.db2.gz MRNVFFXAFYYWTR-INIZCTEOSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@@H](Cc1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256748428 1106479692 /nfs/dbraw/zinc/47/96/92/1106479692.db2.gz MRNVFFXAFYYWTR-INIZCTEOSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH2+]CCCn1cc[nH+]c1 ZINC001256825821 1106491947 /nfs/dbraw/zinc/49/19/47/1106491947.db2.gz WXHMLYUKCFINQD-ZDUSSCGKSA-N 2 2 322.250 3.257 20 0 DGADLP Cc1cccnc1C1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909043 1106509317 /nfs/dbraw/zinc/50/93/17/1106509317.db2.gz QMKVRORJVOYBBG-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1cccnc1C1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909043 1106509319 /nfs/dbraw/zinc/50/93/19/1106509319.db2.gz QMKVRORJVOYBBG-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP CCOC(=O)[C@H]1CC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068989 1106532884 /nfs/dbraw/zinc/53/28/84/1106532884.db2.gz QKCYDDROUMSPDT-YJBOKZPZSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068989 1106532887 /nfs/dbraw/zinc/53/28/87/1106532887.db2.gz QKCYDDROUMSPDT-YJBOKZPZSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001257204899 1106550908 /nfs/dbraw/zinc/55/09/08/1106550908.db2.gz SYZQGQFZTPTGNQ-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC001257212855 1106552460 /nfs/dbraw/zinc/55/24/60/1106552460.db2.gz BAHYVBSRZNKDSF-UHFFFAOYSA-N 2 2 315.505 3.298 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC001257213302 1106552514 /nfs/dbraw/zinc/55/25/14/1106552514.db2.gz KOAFGBRBKSDQTQ-SFHVURJKSA-N 3 2 319.537 3.270 20 0 DGADLP COc1ccc2cc(CC[C@@H](C)[NH2+]CC3C[NH+](C)C3)ccc2c1 ZINC001257275555 1106560583 /nfs/dbraw/zinc/56/05/83/1106560583.db2.gz SSIKWXYFKATQLB-OAHLLOKOSA-N 2 2 312.457 3.321 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001257391234 1106580496 /nfs/dbraw/zinc/58/04/96/1106580496.db2.gz KWJDOSQCEIBUPQ-KRWDZBQOSA-N 2 2 324.509 3.449 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001257402750 1106582424 /nfs/dbraw/zinc/58/24/24/1106582424.db2.gz PFXYQTGWBLBECW-HNNXBMFYSA-N 2 2 310.482 3.057 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001257402750 1106582427 /nfs/dbraw/zinc/58/24/27/1106582427.db2.gz PFXYQTGWBLBECW-HNNXBMFYSA-N 2 2 310.482 3.057 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257422021 1106585790 /nfs/dbraw/zinc/58/57/90/1106585790.db2.gz YJAIPOPBBUCQEV-FHWLQOOXSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257424003 1106586782 /nfs/dbraw/zinc/58/67/82/1106586782.db2.gz YJYZIRPIDQOSHJ-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC[C@H](CC)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257424003 1106586785 /nfs/dbraw/zinc/58/67/85/1106586785.db2.gz YJYZIRPIDQOSHJ-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC[C@H](CC)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001257424003 1106586788 /nfs/dbraw/zinc/58/67/88/1106586788.db2.gz YJYZIRPIDQOSHJ-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC[C@H](CC)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001257424003 1106586792 /nfs/dbraw/zinc/58/67/92/1106586792.db2.gz YJYZIRPIDQOSHJ-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CC[NH+](CC)CC[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257819574 1106630861 /nfs/dbraw/zinc/63/08/61/1106630861.db2.gz PFMNUSSPHFQZOO-UHFFFAOYSA-N 2 2 304.478 3.446 20 0 DGADLP Clc1ccc2c(c1)C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CO2 ZINC001257968449 1106652682 /nfs/dbraw/zinc/65/26/82/1106652682.db2.gz MADCGALLBGNHSQ-WFASDCNBSA-N 2 2 317.820 3.180 20 0 DGADLP C[C@H]1CC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@H](C)C1 ZINC001258165008 1106684640 /nfs/dbraw/zinc/68/46/40/1106684640.db2.gz LKGACWHKVZTSOF-HZPDHXFCSA-N 2 2 316.493 3.119 20 0 DGADLP C[C@H]1CC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@H](C)C1 ZINC001258165008 1106684641 /nfs/dbraw/zinc/68/46/41/1106684641.db2.gz LKGACWHKVZTSOF-HZPDHXFCSA-N 2 2 316.493 3.119 20 0 DGADLP CSCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258205235 1106695596 /nfs/dbraw/zinc/69/55/96/1106695596.db2.gz HKFUFRKHLNOIHX-GXFFZTMASA-N 2 2 317.296 3.180 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001258396387 1106729989 /nfs/dbraw/zinc/72/99/89/1106729989.db2.gz POUUUPIAEKUKAB-UZLBHIALSA-N 2 2 324.468 3.402 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001258396387 1106729993 /nfs/dbraw/zinc/72/99/93/1106729993.db2.gz POUUUPIAEKUKAB-UZLBHIALSA-N 2 2 324.468 3.402 20 0 DGADLP CCCC[N@H+](C)CC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518679 1106794287 /nfs/dbraw/zinc/79/42/87/1106794287.db2.gz WYQWIWYIMZPKDV-UHFFFAOYSA-N 2 2 312.498 3.020 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518679 1106794297 /nfs/dbraw/zinc/79/42/97/1106794297.db2.gz WYQWIWYIMZPKDV-UHFFFAOYSA-N 2 2 312.498 3.020 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258534854 1106805783 /nfs/dbraw/zinc/80/57/83/1106805783.db2.gz TXXKLTVYAJTTFZ-INIZCTEOSA-N 2 2 321.896 3.383 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258534854 1106805803 /nfs/dbraw/zinc/80/58/03/1106805803.db2.gz TXXKLTVYAJTTFZ-INIZCTEOSA-N 2 2 321.896 3.383 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3C[C@@H](C)CC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001258700740 1106914943 /nfs/dbraw/zinc/91/49/43/1106914943.db2.gz OMQKPEWQINEXIF-RHSMWYFYSA-N 2 2 316.493 3.430 20 0 DGADLP CCC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC001320237419 1106936544 /nfs/dbraw/zinc/93/65/44/1106936544.db2.gz OENNRASHEMRKEM-RBUKOAKNSA-N 2 2 319.468 3.035 20 0 DGADLP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC001320237419 1106936556 /nfs/dbraw/zinc/93/65/56/1106936556.db2.gz OENNRASHEMRKEM-RBUKOAKNSA-N 2 2 319.468 3.035 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cccnc2C(F)(F)F)CC1 ZINC001258766846 1106961904 /nfs/dbraw/zinc/96/19/04/1106961904.db2.gz FLSOUKLGACSXFL-UHFFFAOYSA-N 2 2 301.356 3.064 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](c2cccnc2OC)C2CC2)CC1 ZINC001258771054 1106964655 /nfs/dbraw/zinc/96/46/55/1106964655.db2.gz YLFPPBFHOMUOEY-KRWDZBQOSA-N 2 2 303.450 3.005 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cc(F)cc32)CC1 ZINC001258770064 1106965593 /nfs/dbraw/zinc/96/55/93/1106965593.db2.gz CEEYDJICJYAXHB-INIZCTEOSA-N 2 2 310.388 3.252 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001258774742 1106967554 /nfs/dbraw/zinc/96/75/54/1106967554.db2.gz XIFRQNYZMDLZHN-SFHVURJKSA-N 3 2 307.526 3.201 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001258774742 1106967569 /nfs/dbraw/zinc/96/75/69/1106967569.db2.gz XIFRQNYZMDLZHN-SFHVURJKSA-N 3 2 307.526 3.201 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCC[C@H](C)C1)CC2 ZINC001258820796 1107000631 /nfs/dbraw/zinc/00/06/31/1107000631.db2.gz ORFONFOBJKVMBI-HOTGVXAUSA-N 2 2 318.509 3.462 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCC[C@H](C)C1)CC2 ZINC001258820796 1107000646 /nfs/dbraw/zinc/00/06/46/1107000646.db2.gz ORFONFOBJKVMBI-HOTGVXAUSA-N 2 2 318.509 3.462 20 0 DGADLP COc1ccccc1C[C@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258888706 1107037576 /nfs/dbraw/zinc/03/75/76/1107037576.db2.gz KENONBGDLLBUGE-INIZCTEOSA-N 2 2 314.473 3.044 20 0 DGADLP COc1ccccc1C[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258888706 1107037588 /nfs/dbraw/zinc/03/75/88/1107037588.db2.gz KENONBGDLLBUGE-INIZCTEOSA-N 2 2 314.473 3.044 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001261220841 1107366949 /nfs/dbraw/zinc/36/69/49/1107366949.db2.gz AWSOMOUNGFBDFQ-YQQQUEKLSA-N 2 2 324.472 3.393 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261220841 1107366961 /nfs/dbraw/zinc/36/69/61/1107366961.db2.gz AWSOMOUNGFBDFQ-YQQQUEKLSA-N 2 2 324.472 3.393 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508541 1107456568 /nfs/dbraw/zinc/45/65/68/1107456568.db2.gz NOYFDRQOEUXBSK-RCCFBDPRSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508541 1107456577 /nfs/dbraw/zinc/45/65/77/1107456577.db2.gz NOYFDRQOEUXBSK-RCCFBDPRSA-N 2 2 302.462 3.197 20 0 DGADLP FC1(F)[C@@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC001261603686 1107485790 /nfs/dbraw/zinc/48/57/90/1107485790.db2.gz VEWAVOXSLNXWIF-KFWWJZLASA-N 2 2 307.388 3.074 20 0 DGADLP CCCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001317554936 1107532600 /nfs/dbraw/zinc/53/26/00/1107532600.db2.gz JZXGIAVWYYBMEC-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP CCCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001317554936 1107532610 /nfs/dbraw/zinc/53/26/10/1107532610.db2.gz JZXGIAVWYYBMEC-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)[nH+]c1C ZINC001262045387 1107593115 /nfs/dbraw/zinc/59/31/15/1107593115.db2.gz OMRKCAPAXSFWDJ-LPHOPBHVSA-N 2 2 324.428 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOC2CCCCC2)C1 ZINC001262077168 1107605386 /nfs/dbraw/zinc/60/53/86/1107605386.db2.gz VGXVHRPFWMZEBP-INIZCTEOSA-N 2 2 305.466 3.024 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOC2CCCCC2)C1 ZINC001262077168 1107605392 /nfs/dbraw/zinc/60/53/92/1107605392.db2.gz VGXVHRPFWMZEBP-INIZCTEOSA-N 2 2 305.466 3.024 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C)c(F)c1 ZINC001318498931 1108061254 /nfs/dbraw/zinc/06/12/54/1108061254.db2.gz WMWOXXFKWBPFDN-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001323890060 1108116296 /nfs/dbraw/zinc/11/62/96/1108116296.db2.gz ZBVQKISOBHZFQZ-CQSZACIVSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001323890060 1108116299 /nfs/dbraw/zinc/11/62/99/1108116299.db2.gz ZBVQKISOBHZFQZ-CQSZACIVSA-N 2 2 319.399 3.196 20 0 DGADLP Cc1cc([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001324364737 1108266181 /nfs/dbraw/zinc/26/61/81/1108266181.db2.gz OSLQGZRUGYRPGB-ALXJQNPVSA-N 2 2 317.477 3.115 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000384288532 1108274391 /nfs/dbraw/zinc/27/43/91/1108274391.db2.gz CDWUQMQFQROSGH-QGZVFWFLSA-N 2 2 316.445 3.272 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc3c(n2)CCC3)[nH+]1 ZINC001324739443 1108448203 /nfs/dbraw/zinc/44/82/03/1108448203.db2.gz IXTNXUHPMURUKP-GOSISDBHSA-N 2 2 322.456 3.350 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948249 1108709466 /nfs/dbraw/zinc/70/94/66/1108709466.db2.gz LJYWXMWWFBDHEA-SJLPKXTDSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948249 1108709473 /nfs/dbraw/zinc/70/94/73/1108709473.db2.gz LJYWXMWWFBDHEA-SJLPKXTDSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948249 1108709486 /nfs/dbraw/zinc/70/94/86/1108709486.db2.gz LJYWXMWWFBDHEA-SJLPKXTDSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948249 1108709496 /nfs/dbraw/zinc/70/94/96/1108709496.db2.gz LJYWXMWWFBDHEA-SJLPKXTDSA-N 2 2 301.478 3.201 20 0 DGADLP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H](C)F ZINC001265124804 1108741539 /nfs/dbraw/zinc/74/15/39/1108741539.db2.gz RWDMFMWCZCNTBE-AWEZNQCLSA-N 2 2 323.456 3.197 20 0 DGADLP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H](C)F ZINC001265124804 1108741548 /nfs/dbraw/zinc/74/15/48/1108741548.db2.gz RWDMFMWCZCNTBE-AWEZNQCLSA-N 2 2 323.456 3.197 20 0 DGADLP CCCC[N@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266065559 1109077191 /nfs/dbraw/zinc/07/71/91/1109077191.db2.gz CEAROFLXISDIGP-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCC[N@@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266065559 1109077195 /nfs/dbraw/zinc/07/71/95/1109077195.db2.gz CEAROFLXISDIGP-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547106 1111313646 /nfs/dbraw/zinc/31/36/46/1111313646.db2.gz PZLMBSKBPGMHCK-CVEARBPZSA-N 2 2 303.450 3.186 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547106 1111313649 /nfs/dbraw/zinc/31/36/49/1111313649.db2.gz PZLMBSKBPGMHCK-CVEARBPZSA-N 2 2 303.450 3.186 20 0 DGADLP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580578 1111315933 /nfs/dbraw/zinc/31/59/33/1111315933.db2.gz YOVVSCBKLGYQPT-IBGZPJMESA-N 2 2 320.521 3.483 20 0 DGADLP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580578 1111315936 /nfs/dbraw/zinc/31/59/36/1111315936.db2.gz YOVVSCBKLGYQPT-IBGZPJMESA-N 2 2 320.521 3.483 20 0 DGADLP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580578 1111315939 /nfs/dbraw/zinc/31/59/39/1111315939.db2.gz YOVVSCBKLGYQPT-IBGZPJMESA-N 2 2 320.521 3.483 20 0 DGADLP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580578 1111315943 /nfs/dbraw/zinc/31/59/43/1111315943.db2.gz YOVVSCBKLGYQPT-IBGZPJMESA-N 2 2 320.521 3.483 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822137 1111343300 /nfs/dbraw/zinc/34/33/00/1111343300.db2.gz BCLWNIVCGWPBKI-MSOLQXFVSA-N 2 2 310.526 3.416 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822137 1111343304 /nfs/dbraw/zinc/34/33/04/1111343304.db2.gz BCLWNIVCGWPBKI-MSOLQXFVSA-N 2 2 310.526 3.416 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901758 1111353070 /nfs/dbraw/zinc/35/30/70/1111353070.db2.gz QCBGSPNZMSOKKH-YOEHRIQHSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901758 1111353074 /nfs/dbraw/zinc/35/30/74/1111353074.db2.gz QCBGSPNZMSOKKH-YOEHRIQHSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901758 1111353078 /nfs/dbraw/zinc/35/30/78/1111353078.db2.gz QCBGSPNZMSOKKH-YOEHRIQHSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001307901758 1111353083 /nfs/dbraw/zinc/35/30/83/1111353083.db2.gz QCBGSPNZMSOKKH-YOEHRIQHSA-N 2 2 324.896 3.003 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001308073722 1111374421 /nfs/dbraw/zinc/37/44/21/1111374421.db2.gz UTFSOLOTZPKHBW-UHFFFAOYSA-N 2 2 320.502 3.142 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccccc2C2CC2)C[C@@H](C)O1 ZINC001308189435 1111393884 /nfs/dbraw/zinc/39/38/84/1111393884.db2.gz WGABYUFWWIBLHN-HZPDHXFCSA-N 2 2 302.462 3.153 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC001308195745 1111395392 /nfs/dbraw/zinc/39/53/92/1111395392.db2.gz WKNIGAPSBWBPOZ-HUUCEWRRSA-N 2 2 317.433 3.247 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)C[NH+]1CCCCC1 ZINC001308216151 1111399073 /nfs/dbraw/zinc/39/90/73/1111399073.db2.gz MMOYGIAICOLQHB-GJZGRUSLSA-N 2 2 321.534 3.480 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC001308327573 1111416910 /nfs/dbraw/zinc/41/69/10/1111416910.db2.gz MNPWPFLEIRZSTA-FPAYPSAMSA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC001308327573 1111416911 /nfs/dbraw/zinc/41/69/11/1111416911.db2.gz MNPWPFLEIRZSTA-FPAYPSAMSA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC001308327573 1111416913 /nfs/dbraw/zinc/41/69/13/1111416913.db2.gz MNPWPFLEIRZSTA-FPAYPSAMSA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC001308327573 1111416915 /nfs/dbraw/zinc/41/69/15/1111416915.db2.gz MNPWPFLEIRZSTA-FPAYPSAMSA-N 2 2 313.489 3.037 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001308407552 1111425904 /nfs/dbraw/zinc/42/59/04/1111425904.db2.gz KKNQXWYVEAVCKQ-MQVJKMGUSA-N 2 2 312.461 3.332 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001308407552 1111425906 /nfs/dbraw/zinc/42/59/06/1111425906.db2.gz KKNQXWYVEAVCKQ-MQVJKMGUSA-N 2 2 312.461 3.332 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc(F)c1N)c1ccccc1 ZINC001308475737 1111433003 /nfs/dbraw/zinc/43/30/03/1111433003.db2.gz SRQNKHZKWOEEOE-KRWDZBQOSA-N 2 2 324.403 3.215 20 0 DGADLP CC(C)c1nc([C@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)no1 ZINC001308627877 1111452817 /nfs/dbraw/zinc/45/28/17/1111452817.db2.gz OOMWXQUUBMVKCM-OAHLLOKOSA-N 2 2 306.454 3.062 20 0 DGADLP CC(C)c1nc([C@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)no1 ZINC001308627877 1111452818 /nfs/dbraw/zinc/45/28/18/1111452818.db2.gz OOMWXQUUBMVKCM-OAHLLOKOSA-N 2 2 306.454 3.062 20 0 DGADLP COc1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC001308706330 1111463616 /nfs/dbraw/zinc/46/36/16/1111463616.db2.gz ZVEHXGMFFRWQJK-UHFFFAOYSA-N 2 2 311.495 3.286 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC001308971086 1111502525 /nfs/dbraw/zinc/50/25/25/1111502525.db2.gz PXLPLAANIOZIAI-UHFFFAOYSA-N 2 2 318.383 3.447 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC001308971086 1111502527 /nfs/dbraw/zinc/50/25/27/1111502527.db2.gz PXLPLAANIOZIAI-UHFFFAOYSA-N 2 2 318.383 3.447 20 0 DGADLP CC[C@@H](C)C[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316840472 1111782137 /nfs/dbraw/zinc/78/21/37/1111782137.db2.gz QYNZCZFYHAZTKB-CYBMUJFWSA-N 2 2 305.466 3.105 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316840472 1111782141 /nfs/dbraw/zinc/78/21/41/1111782141.db2.gz QYNZCZFYHAZTKB-CYBMUJFWSA-N 2 2 305.466 3.105 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1F ZINC000278470804 214173818 /nfs/dbraw/zinc/17/38/18/214173818.db2.gz JSKYGABHYAZFSB-UONOGXRCSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1F ZINC000278470804 214173821 /nfs/dbraw/zinc/17/38/21/214173821.db2.gz JSKYGABHYAZFSB-UONOGXRCSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456327 214165000 /nfs/dbraw/zinc/16/50/00/214165000.db2.gz ITNDMUFCZAYYOH-DYVFJYSZSA-N 2 2 324.415 3.043 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456327 214165002 /nfs/dbraw/zinc/16/50/02/214165002.db2.gz ITNDMUFCZAYYOH-DYVFJYSZSA-N 2 2 324.415 3.043 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000278531335 214217095 /nfs/dbraw/zinc/21/70/95/214217095.db2.gz FCBRMEPSWOQPGP-UHFFFAOYSA-N 3 2 317.477 3.109 20 0 DGADLP Cc1cnccc1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000278531335 214217097 /nfs/dbraw/zinc/21/70/97/214217097.db2.gz FCBRMEPSWOQPGP-UHFFFAOYSA-N 2 2 317.477 3.109 20 0 DGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000305862127 282132778 /nfs/dbraw/zinc/13/27/78/282132778.db2.gz YKYIXBCTKNQIKZ-RHSMWYFYSA-N 2 2 304.434 3.032 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000062254411 432003151 /nfs/dbraw/zinc/00/31/51/432003151.db2.gz KOAZCPLHIGFNPS-GFCCVEGCSA-N 2 2 313.323 3.208 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000278712579 214345794 /nfs/dbraw/zinc/34/57/94/214345794.db2.gz LRFDXOWXBCWBCK-CQSZACIVSA-N 2 2 310.438 3.226 20 0 DGADLP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)n1 ZINC000278767520 214386886 /nfs/dbraw/zinc/38/68/86/214386886.db2.gz YJIOZOKRBFKSPA-UHFFFAOYSA-N 2 2 311.216 3.491 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000323491784 231217957 /nfs/dbraw/zinc/21/79/57/231217957.db2.gz SKNFQFABBDZDPD-ULQDDVLXSA-N 2 2 313.445 3.322 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430585986 529430062 /nfs/dbraw/zinc/43/00/62/529430062.db2.gz UQKPVNUYQYAEQL-KDOFPFPSSA-N 2 2 305.466 3.102 20 0 DGADLP CC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430797021 529443176 /nfs/dbraw/zinc/44/31/76/529443176.db2.gz CBSULTVYZADQEJ-ZDUSSCGKSA-N 2 2 300.406 3.286 20 0 DGADLP CCc1ccc(-c2noc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1 ZINC000430568962 529577946 /nfs/dbraw/zinc/57/79/46/529577946.db2.gz LBIABRJHTPWIAF-INIZCTEOSA-N 2 2 316.449 3.104 20 0 DGADLP CCc1ccc(-c2noc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1 ZINC000430568962 529577951 /nfs/dbraw/zinc/57/79/51/529577951.db2.gz LBIABRJHTPWIAF-INIZCTEOSA-N 2 2 316.449 3.104 20 0 DGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000435985314 529591033 /nfs/dbraw/zinc/59/10/33/529591033.db2.gz SESBGFIUUGPYRA-GJZGRUSLSA-N 2 2 320.481 3.123 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000295812075 529588747 /nfs/dbraw/zinc/58/87/47/529588747.db2.gz CTNPIJUCNVKBTG-MRXNPFEDSA-N 2 2 312.461 3.002 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000295812075 529588749 /nfs/dbraw/zinc/58/87/49/529588749.db2.gz CTNPIJUCNVKBTG-MRXNPFEDSA-N 2 2 312.461 3.002 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(F)c(F)cc1F ZINC000415044941 529610486 /nfs/dbraw/zinc/61/04/86/529610486.db2.gz CEMZVZAMKSDDPN-KRWDZBQOSA-N 2 2 308.347 3.456 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000415065557 529611383 /nfs/dbraw/zinc/61/13/83/529611383.db2.gz NAPHYGXKTKMOSK-KXBFYZLASA-N 2 2 314.477 3.247 20 0 DGADLP CC[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCOC1 ZINC000442875984 529602163 /nfs/dbraw/zinc/60/21/63/529602163.db2.gz QDMWVLJHXFCKDP-ROUUACIJSA-N 2 2 308.510 3.437 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000415064487 529616631 /nfs/dbraw/zinc/61/66/31/529616631.db2.gz KTQSLIOYBKQMLO-LJQANCHMSA-N 2 2 324.472 3.034 20 0 DGADLP CCCC[C@@H](COC)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050473 185279916 /nfs/dbraw/zinc/27/99/16/185279916.db2.gz GMIKDEXGDQDQEI-HNNXBMFYSA-N 2 2 303.450 3.301 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000090667466 185308706 /nfs/dbraw/zinc/30/87/06/185308706.db2.gz GDYIMLXHGFALKY-JKSUJKDBSA-N 2 2 310.445 3.353 20 0 DGADLP CCN(CC)c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000092648325 185331554 /nfs/dbraw/zinc/33/15/54/185331554.db2.gz ZGJJPAXUHRBXKP-UHFFFAOYSA-N 2 2 319.478 3.023 20 0 DGADLP CCC(CC)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645370 185330771 /nfs/dbraw/zinc/33/07/71/185330771.db2.gz UIIMUDLXNXCKDL-UHFFFAOYSA-N 2 2 303.494 3.457 20 0 DGADLP CCC(CC)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645370 185330772 /nfs/dbraw/zinc/33/07/72/185330772.db2.gz UIIMUDLXNXCKDL-UHFFFAOYSA-N 2 2 303.494 3.457 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129631152 432007201 /nfs/dbraw/zinc/00/72/01/432007201.db2.gz GBSJBCGYMRFYOD-CRAIPNDOSA-N 2 2 322.880 3.445 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129631152 432007203 /nfs/dbraw/zinc/00/72/03/432007203.db2.gz GBSJBCGYMRFYOD-CRAIPNDOSA-N 2 2 322.880 3.445 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428321730 529725334 /nfs/dbraw/zinc/72/53/34/529725334.db2.gz FRCDUXGCRMIDGL-DZGCQCFKSA-N 2 2 305.466 3.288 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428321730 529725335 /nfs/dbraw/zinc/72/53/35/529725335.db2.gz FRCDUXGCRMIDGL-DZGCQCFKSA-N 2 2 305.466 3.288 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000297523209 529761488 /nfs/dbraw/zinc/76/14/88/529761488.db2.gz OPEXOTPURVCBRQ-SFHVURJKSA-N 2 2 311.429 3.485 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000297523209 529761489 /nfs/dbraw/zinc/76/14/89/529761489.db2.gz OPEXOTPURVCBRQ-SFHVURJKSA-N 2 2 311.429 3.485 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@H]2CCCO[C@@H]21 ZINC000181568742 199319116 /nfs/dbraw/zinc/31/91/16/199319116.db2.gz GQERNUMODHIOHB-NXHRZFHOSA-N 2 2 311.429 3.166 20 0 DGADLP c1cn(CCC[N@H+](CCc2ccccc2)Cc2cccnc2)c[nH+]1 ZINC000063846304 432007759 /nfs/dbraw/zinc/00/77/59/432007759.db2.gz PWIMNJPXONMUFN-UHFFFAOYSA-N 2 2 320.440 3.413 20 0 DGADLP c1cn(CCC[N@@H+](CCc2ccccc2)Cc2cccnc2)c[nH+]1 ZINC000063846304 432007761 /nfs/dbraw/zinc/00/77/61/432007761.db2.gz PWIMNJPXONMUFN-UHFFFAOYSA-N 2 2 320.440 3.413 20 0 DGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000306343299 529959353 /nfs/dbraw/zinc/95/93/53/529959353.db2.gz LJUUCCPKHCOQCP-NRFANRHFSA-N 2 2 324.468 3.144 20 0 DGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000306343299 529959354 /nfs/dbraw/zinc/95/93/54/529959354.db2.gz LJUUCCPKHCOQCP-NRFANRHFSA-N 2 2 324.468 3.144 20 0 DGADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166950080 529980299 /nfs/dbraw/zinc/98/02/99/529980299.db2.gz WBPBQACVWHGDAM-LLVKDONJSA-N 2 2 319.792 3.321 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433494668 529990555 /nfs/dbraw/zinc/99/05/55/529990555.db2.gz WXLOREGWYBBZQE-KRWDZBQOSA-N 2 2 320.440 3.185 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433494668 529990556 /nfs/dbraw/zinc/99/05/56/529990556.db2.gz WXLOREGWYBBZQE-KRWDZBQOSA-N 2 2 320.440 3.185 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628099 530001575 /nfs/dbraw/zinc/00/15/75/530001575.db2.gz NXZYEXXLJIFLFD-HUUCEWRRSA-N 2 2 314.433 3.037 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628099 530001577 /nfs/dbraw/zinc/00/15/77/530001577.db2.gz NXZYEXXLJIFLFD-HUUCEWRRSA-N 2 2 314.433 3.037 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435621661 530024647 /nfs/dbraw/zinc/02/46/47/530024647.db2.gz NQJSYUKNFYZAIS-CYBMUJFWSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435621661 530024649 /nfs/dbraw/zinc/02/46/49/530024649.db2.gz NQJSYUKNFYZAIS-CYBMUJFWSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429254203 530062966 /nfs/dbraw/zinc/06/29/66/530062966.db2.gz MGKRPFKBGJMGNT-JTQLQIEISA-N 2 2 305.344 3.002 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429254203 530062967 /nfs/dbraw/zinc/06/29/67/530062967.db2.gz MGKRPFKBGJMGNT-JTQLQIEISA-N 2 2 305.344 3.002 20 0 DGADLP Fc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272646534 210049632 /nfs/dbraw/zinc/04/96/32/210049632.db2.gz FONJBTRPUSYOJS-UHFFFAOYSA-N 2 2 304.331 3.332 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000279894774 215215001 /nfs/dbraw/zinc/21/50/01/215215001.db2.gz KVYBPSPEVAFDCT-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155656069 186099938 /nfs/dbraw/zinc/09/99/38/186099938.db2.gz PGJAALGVNHIQSG-AWEZNQCLSA-N 2 2 324.197 3.062 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1Br ZINC000155671029 186101768 /nfs/dbraw/zinc/10/17/68/186101768.db2.gz SXNRWTJSGNANKE-SNVBAGLBSA-N 2 2 312.186 3.136 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+]CCn2cc[nH+]c2)cc1OCC ZINC000155737578 186108463 /nfs/dbraw/zinc/10/84/63/186108463.db2.gz YRJARGZVSIQFNG-INIZCTEOSA-N 2 2 317.433 3.421 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000106934456 432025402 /nfs/dbraw/zinc/02/54/02/432025402.db2.gz YXKDBXDOKGRRIR-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000106934456 432025403 /nfs/dbraw/zinc/02/54/03/432025403.db2.gz YXKDBXDOKGRRIR-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000106934456 432025404 /nfs/dbraw/zinc/02/54/04/432025404.db2.gz YXKDBXDOKGRRIR-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)n1 ZINC000268760012 186381753 /nfs/dbraw/zinc/38/17/53/186381753.db2.gz KWQIPUYSXSJHBQ-CQSZACIVSA-N 2 2 321.428 3.189 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000067500622 432032244 /nfs/dbraw/zinc/03/22/44/432032244.db2.gz JXNVSOOTYIWZCV-HNNXBMFYSA-N 2 2 323.444 3.112 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000174228144 198308314 /nfs/dbraw/zinc/30/83/14/198308314.db2.gz BDEKULWGKBMQBG-QGZVFWFLSA-N 2 2 312.461 3.036 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000174228144 198308316 /nfs/dbraw/zinc/30/83/16/198308316.db2.gz BDEKULWGKBMQBG-QGZVFWFLSA-N 2 2 312.461 3.036 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000131736601 432036291 /nfs/dbraw/zinc/03/62/91/432036291.db2.gz HMOVSAVVHFJLIB-KBPBESRZSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000131736601 432036295 /nfs/dbraw/zinc/03/62/95/432036295.db2.gz HMOVSAVVHFJLIB-KBPBESRZSA-N 2 2 301.459 3.288 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163763263 432041084 /nfs/dbraw/zinc/04/10/84/432041084.db2.gz MLHDPJMXRFLKKA-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163763263 432041089 /nfs/dbraw/zinc/04/10/89/432041089.db2.gz MLHDPJMXRFLKKA-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000163754432 432041694 /nfs/dbraw/zinc/04/16/94/432041694.db2.gz IKNVYMRLHVBCJU-MRXNPFEDSA-N 2 2 314.429 3.271 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271498 432059770 /nfs/dbraw/zinc/05/97/70/432059770.db2.gz IJLSEVAUJMQOKU-YSVLISHTSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271498 432059771 /nfs/dbraw/zinc/05/97/71/432059771.db2.gz IJLSEVAUJMQOKU-YSVLISHTSA-N 2 2 318.461 3.370 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccsc1 ZINC000178234813 198836649 /nfs/dbraw/zinc/83/66/49/198836649.db2.gz YEWWCDXXLKLQHG-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655374 432070273 /nfs/dbraw/zinc/07/02/73/432070273.db2.gz UYSJQQJHNFYCSQ-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655374 432070275 /nfs/dbraw/zinc/07/02/75/432070275.db2.gz UYSJQQJHNFYCSQ-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](CC)[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000133879330 432071401 /nfs/dbraw/zinc/07/14/01/432071401.db2.gz QCSQXYBEYMYOKU-QRVBRYPASA-N 2 2 304.478 3.256 20 0 DGADLP CCC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000414679730 283282544 /nfs/dbraw/zinc/28/25/44/283282544.db2.gz XCZQAWWFDWVSAP-GDBMZVCRSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000414679730 283282546 /nfs/dbraw/zinc/28/25/46/283282546.db2.gz XCZQAWWFDWVSAP-GDBMZVCRSA-N 2 2 308.441 3.087 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000179281144 199009283 /nfs/dbraw/zinc/00/92/83/199009283.db2.gz BTGCYSUUIWFUGC-UHFFFAOYSA-N 2 2 307.401 3.181 20 0 DGADLP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc[nH+]1 ZINC000179835134 199086211 /nfs/dbraw/zinc/08/62/11/199086211.db2.gz OFBIFPYUKFUQEM-UHFFFAOYSA-N 2 2 324.428 3.308 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180148310 199123316 /nfs/dbraw/zinc/12/33/16/199123316.db2.gz XGJVCUHQTCTVPE-INIZCTEOSA-N 2 2 318.461 3.025 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180148310 199123317 /nfs/dbraw/zinc/12/33/17/199123317.db2.gz XGJVCUHQTCTVPE-INIZCTEOSA-N 2 2 318.461 3.025 20 0 DGADLP OCCC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc21 ZINC000180243247 199134859 /nfs/dbraw/zinc/13/48/59/199134859.db2.gz UDWQGCAEWNIPTL-LJQANCHMSA-N 2 2 321.424 3.206 20 0 DGADLP OCCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc21 ZINC000180243247 199134861 /nfs/dbraw/zinc/13/48/61/199134861.db2.gz UDWQGCAEWNIPTL-LJQANCHMSA-N 2 2 321.424 3.206 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180433842 199158113 /nfs/dbraw/zinc/15/81/13/199158113.db2.gz ZYZSXAKAGOFAMC-HNNXBMFYSA-N 2 2 300.402 3.455 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180433842 199158115 /nfs/dbraw/zinc/15/81/15/199158115.db2.gz ZYZSXAKAGOFAMC-HNNXBMFYSA-N 2 2 300.402 3.455 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000237300075 202223609 /nfs/dbraw/zinc/22/36/09/202223609.db2.gz FTFPMIYVUZVEGU-UHFFFAOYSA-N 2 2 303.233 3.186 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+](C)CCCn3cc[nH+]c3)on2)cc1 ZINC000181076595 199248729 /nfs/dbraw/zinc/24/87/29/199248729.db2.gz XOQCYODCGDYXTF-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+](C)CCCn3cc[nH+]c3)on2)cc1 ZINC000181076595 199248730 /nfs/dbraw/zinc/24/87/30/199248730.db2.gz XOQCYODCGDYXTF-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000134652026 432082408 /nfs/dbraw/zinc/08/24/08/432082408.db2.gz GDAVAJKAPIZRLA-UHFFFAOYSA-N 2 2 304.331 3.420 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415052242 237035779 /nfs/dbraw/zinc/03/57/79/237035779.db2.gz MWMCJAAKMXKEBJ-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415052242 237035786 /nfs/dbraw/zinc/03/57/86/237035786.db2.gz MWMCJAAKMXKEBJ-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415057809 237040531 /nfs/dbraw/zinc/04/05/31/237040531.db2.gz UKJBEHHRNYUPDL-INIZCTEOSA-N 2 2 320.868 3.297 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cc(Br)ccc1F)C1CCCC1 ZINC000415056139 237040683 /nfs/dbraw/zinc/04/06/83/237040683.db2.gz ROBTWLLSJJJWQH-AWEZNQCLSA-N 2 2 315.230 3.195 20 0 DGADLP Clc1ccc(OCCC[NH2+][C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000415084831 237067540 /nfs/dbraw/zinc/06/75/40/237067540.db2.gz RQELPQCPGABJFQ-LBPRGKRZSA-N 2 2 303.233 3.104 20 0 DGADLP C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415139483 237107187 /nfs/dbraw/zinc/10/71/87/237107187.db2.gz XCHAKNGZXYGBLQ-HKUYNNGSSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1ccc([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000415122225 237094818 /nfs/dbraw/zinc/09/48/18/237094818.db2.gz NXXSWFHPKFULPK-GVDBMIGSSA-N 2 2 318.461 3.353 20 0 DGADLP COC1CCC([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186880116 200026139 /nfs/dbraw/zinc/02/61/39/200026139.db2.gz VVGAISZKDBPWQF-SOAGJPPSSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CCC([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186880116 200026140 /nfs/dbraw/zinc/02/61/40/200026140.db2.gz VVGAISZKDBPWQF-SOAGJPPSSA-N 2 2 316.489 3.444 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000281035134 216036260 /nfs/dbraw/zinc/03/62/60/216036260.db2.gz PODQURDNNJWKSQ-GOSISDBHSA-N 2 2 307.397 3.250 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)[nH+]1 ZINC000180414853 432086344 /nfs/dbraw/zinc/08/63/44/432086344.db2.gz KFNBRIILQUYDEV-HXUWFJFHSA-N 2 2 319.408 3.008 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)[nH+]1 ZINC000180414853 432086346 /nfs/dbraw/zinc/08/63/46/432086346.db2.gz KFNBRIILQUYDEV-HXUWFJFHSA-N 2 2 319.408 3.008 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)CC3 ZINC000180469471 432087087 /nfs/dbraw/zinc/08/70/87/432087087.db2.gz HDHHHSKIBSSVGJ-HUUCEWRRSA-N 2 2 311.473 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)CC3 ZINC000180469471 432087088 /nfs/dbraw/zinc/08/70/88/432087088.db2.gz HDHHHSKIBSSVGJ-HUUCEWRRSA-N 2 2 311.473 3.406 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000188785002 200302854 /nfs/dbraw/zinc/30/28/54/200302854.db2.gz WGEFDBPNAIQJBA-CMTQZCSUSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000188785002 200302856 /nfs/dbraw/zinc/30/28/56/200302856.db2.gz WGEFDBPNAIQJBA-CMTQZCSUSA-N 2 2 316.489 3.302 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)c2ccccc21 ZINC000422856543 237804524 /nfs/dbraw/zinc/80/45/24/237804524.db2.gz GGNSZLNMDJBHSS-RTBURBONSA-N 2 2 321.424 3.048 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134875340 432088172 /nfs/dbraw/zinc/08/81/72/432088172.db2.gz PHODZVZXZMNMCH-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134875340 432088174 /nfs/dbraw/zinc/08/81/74/432088174.db2.gz PHODZVZXZMNMCH-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134875340 432088177 /nfs/dbraw/zinc/08/81/77/432088177.db2.gz PHODZVZXZMNMCH-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134875340 432088178 /nfs/dbraw/zinc/08/81/78/432088178.db2.gz PHODZVZXZMNMCH-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP O[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000189311476 200380211 /nfs/dbraw/zinc/38/02/11/200380211.db2.gz DYCFGUPYOFSNLU-YOEHRIQHSA-N 2 2 322.880 3.055 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428863990 238033429 /nfs/dbraw/zinc/03/34/29/238033429.db2.gz ABJVXMNKMKBRPC-CHWSQXEVSA-N 2 2 307.438 3.398 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000430137221 238068480 /nfs/dbraw/zinc/06/84/80/238068480.db2.gz YCDXXZARUJYLCE-OAHLLOKOSA-N 2 2 324.403 3.184 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000430137221 238068482 /nfs/dbraw/zinc/06/84/82/238068482.db2.gz YCDXXZARUJYLCE-OAHLLOKOSA-N 2 2 324.403 3.184 20 0 DGADLP Cc1ccc2c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc(O)c2n1 ZINC000429687089 238057827 /nfs/dbraw/zinc/05/78/27/238057827.db2.gz VNCBUJQCWGFGIG-UHFFFAOYSA-N 2 2 322.412 3.352 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430549269 238079202 /nfs/dbraw/zinc/07/92/02/238079202.db2.gz NGHOVUKRAAGHBI-HZSPNIEDSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430549269 238079203 /nfs/dbraw/zinc/07/92/03/238079203.db2.gz NGHOVUKRAAGHBI-HZSPNIEDSA-N 2 2 323.868 3.035 20 0 DGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000430641391 238082073 /nfs/dbraw/zinc/08/20/73/238082073.db2.gz SQABLDLMZQPMJR-HNNXBMFYSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626816 238082139 /nfs/dbraw/zinc/08/21/39/238082139.db2.gz MHYJLUHQTPCZPV-SJCJKPOMSA-N 2 2 303.381 3.182 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626816 238082140 /nfs/dbraw/zinc/08/21/40/238082140.db2.gz MHYJLUHQTPCZPV-SJCJKPOMSA-N 2 2 303.381 3.182 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919533 238090036 /nfs/dbraw/zinc/09/00/36/238090036.db2.gz LLBVDHKWFZRHOO-JTNHKYCSSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919533 238090037 /nfs/dbraw/zinc/09/00/37/238090037.db2.gz LLBVDHKWFZRHOO-JTNHKYCSSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000430954680 238090927 /nfs/dbraw/zinc/09/09/27/238090927.db2.gz KEFQHFJOSMKNFF-RHSMWYFYSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000430954680 238090928 /nfs/dbraw/zinc/09/09/28/238090928.db2.gz KEFQHFJOSMKNFF-RHSMWYFYSA-N 2 2 315.486 3.097 20 0 DGADLP Clc1scc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000432247635 238123529 /nfs/dbraw/zinc/12/35/29/238123529.db2.gz SQXPJSDIWYEWJW-VIFPVBQESA-N 2 2 302.230 3.356 20 0 DGADLP c1cc(-c2ccc(C[NH2+]CCCCNc3cccc[nH+]3)o2)n[nH]1 ZINC000433333599 238156458 /nfs/dbraw/zinc/15/64/58/238156458.db2.gz HRBKDNGRZKOHJM-UHFFFAOYSA-N 2 2 311.389 3.047 20 0 DGADLP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433754121 238165775 /nfs/dbraw/zinc/16/57/75/238165775.db2.gz RBIZUANRMBKWFG-MRXNPFEDSA-N 2 2 321.428 3.085 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000271989073 209363921 /nfs/dbraw/zinc/36/39/21/209363921.db2.gz PUTNLHBIWUXRKL-QGZVFWFLSA-N 2 2 322.880 3.463 20 0 DGADLP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000271904089 209312313 /nfs/dbraw/zinc/31/23/13/209312313.db2.gz WGQRYKHUTHFUIV-MAUKXSAKSA-N 2 2 313.445 3.320 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)cs1 ZINC000193945609 201151137 /nfs/dbraw/zinc/15/11/37/201151137.db2.gz KOZMZAWIFRMCNF-SECBINFHSA-N 2 2 300.225 3.058 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441360430 239040519 /nfs/dbraw/zinc/04/05/19/239040519.db2.gz SRRRHEVVQZTZIU-AEFFLSMTSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441360430 239040524 /nfs/dbraw/zinc/04/05/24/239040524.db2.gz SRRRHEVVQZTZIU-AEFFLSMTSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441360430 239040526 /nfs/dbraw/zinc/04/05/26/239040526.db2.gz SRRRHEVVQZTZIU-AEFFLSMTSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441360430 239040534 /nfs/dbraw/zinc/04/05/34/239040534.db2.gz SRRRHEVVQZTZIU-AEFFLSMTSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ncsc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445237458 239397364 /nfs/dbraw/zinc/39/73/64/239397364.db2.gz XLHYYIRWDGLXFM-UHFFFAOYSA-N 2 2 321.412 3.300 20 0 DGADLP Cc1ncsc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445237458 239397365 /nfs/dbraw/zinc/39/73/65/239397365.db2.gz XLHYYIRWDGLXFM-UHFFFAOYSA-N 2 2 321.412 3.300 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000271812147 209237402 /nfs/dbraw/zinc/23/74/02/209237402.db2.gz NPJNLURHPHCABX-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000271812147 209237407 /nfs/dbraw/zinc/23/74/07/209237407.db2.gz NPJNLURHPHCABX-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3ccccc3)c2cc1C ZINC000271802514 209229468 /nfs/dbraw/zinc/22/94/68/209229468.db2.gz KIABQXGUWVABSR-SJLPKXTDSA-N 2 2 323.440 3.365 20 0 DGADLP CC1(C)CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000449086521 240011557 /nfs/dbraw/zinc/01/15/57/240011557.db2.gz BYDAQLDVVZXJNU-GOSISDBHSA-N 2 2 302.462 3.187 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc2ccccc21 ZINC000449196098 240061517 /nfs/dbraw/zinc/06/15/17/240061517.db2.gz RMEFFDYCAUZAHG-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc2ccccc21 ZINC000449196098 240061521 /nfs/dbraw/zinc/06/15/21/240061521.db2.gz RMEFFDYCAUZAHG-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000449228014 240080194 /nfs/dbraw/zinc/08/01/94/240080194.db2.gz RLXLTJULZPJUFC-AEFFLSMTSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000449228014 240080196 /nfs/dbraw/zinc/08/01/96/240080196.db2.gz RLXLTJULZPJUFC-AEFFLSMTSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000449228014 240080198 /nfs/dbraw/zinc/08/01/98/240080198.db2.gz RLXLTJULZPJUFC-AEFFLSMTSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000449228014 240080200 /nfs/dbraw/zinc/08/02/00/240080200.db2.gz RLXLTJULZPJUFC-AEFFLSMTSA-N 2 2 302.462 3.247 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCOC1 ZINC000449351751 240149917 /nfs/dbraw/zinc/14/99/17/240149917.db2.gz QWMFAELSQURRPB-QWHCGFSZSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449391265 240172380 /nfs/dbraw/zinc/17/23/80/240172380.db2.gz XUUJZRHDQHCHIQ-PKOBYXMFSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449391265 240172386 /nfs/dbraw/zinc/17/23/86/240172386.db2.gz XUUJZRHDQHCHIQ-PKOBYXMFSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000449399291 240173858 /nfs/dbraw/zinc/17/38/58/240173858.db2.gz ZLEPCZGFFJGSBT-RVKKMQEKSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000449399291 240173863 /nfs/dbraw/zinc/17/38/63/240173863.db2.gz ZLEPCZGFFJGSBT-RVKKMQEKSA-N 2 2 324.896 3.268 20 0 DGADLP CCC[C@@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000449394216 240174085 /nfs/dbraw/zinc/17/40/85/240174085.db2.gz FLTJBEAYPJVFRJ-OALUTQOASA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000449394216 240174086 /nfs/dbraw/zinc/17/40/86/240174086.db2.gz FLTJBEAYPJVFRJ-OALUTQOASA-N 2 2 304.478 3.007 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000449493792 240242983 /nfs/dbraw/zinc/24/29/83/240242983.db2.gz MGQCNYLUEWHBJN-LLVKDONJSA-N 2 2 314.342 3.428 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c[nH+]c12 ZINC000449510720 240258216 /nfs/dbraw/zinc/25/82/16/240258216.db2.gz LVYNUUUONHFCTH-DLBZAZTESA-N 2 2 303.450 3.021 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)n2c1 ZINC000449515494 240261632 /nfs/dbraw/zinc/26/16/32/240261632.db2.gz ZRAQFOLCSNEEDX-SJLPKXTDSA-N 2 2 303.450 3.021 20 0 DGADLP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000171140759 432105662 /nfs/dbraw/zinc/10/56/62/432105662.db2.gz DAFLOVVCNJQAAB-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449637765 240336828 /nfs/dbraw/zinc/33/68/28/240336828.db2.gz HTCNUDDDKMFESC-ZWKOTPCHSA-N 2 2 324.896 3.444 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](O)CC ZINC000449638901 240337091 /nfs/dbraw/zinc/33/70/91/240337091.db2.gz MUMQQJRKMHDPEW-MSOLQXFVSA-N 2 2 324.896 3.444 20 0 DGADLP CCC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)COC1 ZINC000449599519 240314578 /nfs/dbraw/zinc/31/45/78/240314578.db2.gz LJJWQVHCBZVYPP-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCCC1 ZINC000171141742 432106242 /nfs/dbraw/zinc/10/62/42/432106242.db2.gz LPRLZICJWRBVTR-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP Brc1ccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)cc1 ZINC000171134816 432106541 /nfs/dbraw/zinc/10/65/41/432106541.db2.gz NHYNUTFNQPXVGJ-UHFFFAOYSA-N 2 2 306.207 3.341 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000091467300 193060435 /nfs/dbraw/zinc/06/04/35/193060435.db2.gz BIRLPGHHRVMBGB-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000091467300 193060437 /nfs/dbraw/zinc/06/04/37/193060437.db2.gz BIRLPGHHRVMBGB-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cccn2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000092066736 193152029 /nfs/dbraw/zinc/15/20/29/193152029.db2.gz FDSLARIPUSMABM-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2c(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000092066736 193152030 /nfs/dbraw/zinc/15/20/30/193152030.db2.gz FDSLARIPUSMABM-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451497657 241145604 /nfs/dbraw/zinc/14/56/04/241145604.db2.gz WNNDVYYUCZMSQD-OTWHNJEPSA-N 2 2 323.440 3.228 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452107683 241316930 /nfs/dbraw/zinc/31/69/30/241316930.db2.gz BUUYZBBRMWYIJX-MSOLQXFVSA-N 2 2 311.429 3.038 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452107683 241316933 /nfs/dbraw/zinc/31/69/33/241316933.db2.gz BUUYZBBRMWYIJX-MSOLQXFVSA-N 2 2 311.429 3.038 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455508469 242221522 /nfs/dbraw/zinc/22/15/22/242221522.db2.gz FZWWKOBIYHLHNY-CQSZACIVSA-N 2 2 306.454 3.249 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455508469 242221524 /nfs/dbraw/zinc/22/15/24/242221524.db2.gz FZWWKOBIYHLHNY-CQSZACIVSA-N 2 2 306.454 3.249 20 0 DGADLP CC(C)COC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000459389603 243356197 /nfs/dbraw/zinc/35/61/97/243356197.db2.gz AGPBNYANGKPOBO-KRWDZBQOSA-N 2 2 306.450 3.210 20 0 DGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000459334800 243339679 /nfs/dbraw/zinc/33/96/79/243339679.db2.gz FBIWRKBAGXAAPS-QZTJIDSGSA-N 2 2 319.493 3.412 20 0 DGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000459334800 243339683 /nfs/dbraw/zinc/33/96/83/243339683.db2.gz FBIWRKBAGXAAPS-QZTJIDSGSA-N 2 2 319.493 3.412 20 0 DGADLP CC(C)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000459490279 243389655 /nfs/dbraw/zinc/38/96/55/243389655.db2.gz BTEJSCLOERQYPJ-AWEZNQCLSA-N 2 2 301.356 3.227 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000469080509 244083443 /nfs/dbraw/zinc/08/34/43/244083443.db2.gz PZATWEPYTBJLMQ-CEXWTWQISA-N 3 2 309.542 3.207 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000469080509 244083445 /nfs/dbraw/zinc/08/34/45/244083445.db2.gz PZATWEPYTBJLMQ-CEXWTWQISA-N 3 2 309.542 3.207 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852899 244128027 /nfs/dbraw/zinc/12/80/27/244128027.db2.gz IOMYQPUPPADWEN-RYUDHWBXSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852899 244128034 /nfs/dbraw/zinc/12/80/34/244128034.db2.gz IOMYQPUPPADWEN-RYUDHWBXSA-N 2 2 305.422 3.118 20 0 DGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000471841810 244256508 /nfs/dbraw/zinc/25/65/08/244256508.db2.gz ZUYVBYHHKGDXOS-WMZOPIPTSA-N 2 2 315.486 3.315 20 0 DGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cscn1 ZINC000471841810 244256512 /nfs/dbraw/zinc/25/65/12/244256512.db2.gz ZUYVBYHHKGDXOS-WMZOPIPTSA-N 2 2 315.486 3.315 20 0 DGADLP CC(C)COC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccco1 ZINC000119078200 284133864 /nfs/dbraw/zinc/13/38/64/284133864.db2.gz RWSZAUGFIKHHJI-KRWDZBQOSA-N 2 2 308.466 3.459 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055179 212096578 /nfs/dbraw/zinc/09/65/78/212096578.db2.gz UPPHCCNKIHEPBG-MFKMUULPSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055179 212096579 /nfs/dbraw/zinc/09/65/79/212096579.db2.gz UPPHCCNKIHEPBG-MFKMUULPSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)cs1 ZINC000275055179 212096580 /nfs/dbraw/zinc/09/65/80/212096580.db2.gz UPPHCCNKIHEPBG-MFKMUULPSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)cs1 ZINC000275055179 212096581 /nfs/dbraw/zinc/09/65/81/212096581.db2.gz UPPHCCNKIHEPBG-MFKMUULPSA-N 2 2 317.296 3.283 20 0 DGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563656 193268098 /nfs/dbraw/zinc/26/80/98/193268098.db2.gz KBARWYJQKOWJRB-AWEZNQCLSA-N 2 2 324.900 3.086 20 0 DGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563656 193268100 /nfs/dbraw/zinc/26/81/00/193268100.db2.gz KBARWYJQKOWJRB-AWEZNQCLSA-N 2 2 324.900 3.086 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000093597629 193272829 /nfs/dbraw/zinc/27/28/29/193272829.db2.gz FWUSJLCLXHQEAF-HUUCEWRRSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000093597629 193272832 /nfs/dbraw/zinc/27/28/32/193272832.db2.gz FWUSJLCLXHQEAF-HUUCEWRRSA-N 2 2 319.518 3.186 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093693099 193290402 /nfs/dbraw/zinc/29/04/02/193290402.db2.gz SESMBOGCKITJJD-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093693099 193290404 /nfs/dbraw/zinc/29/04/04/193290404.db2.gz SESMBOGCKITJJD-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000338777882 299406283 /nfs/dbraw/zinc/40/62/83/299406283.db2.gz IDNDWWUSPFCHHT-SWLSCSKDSA-N 2 2 306.841 3.027 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000093659904 193284658 /nfs/dbraw/zinc/28/46/58/193284658.db2.gz NOMYQOKSTPOILE-KRWDZBQOSA-N 2 2 306.498 3.216 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000093659904 193284660 /nfs/dbraw/zinc/28/46/60/193284660.db2.gz NOMYQOKSTPOILE-KRWDZBQOSA-N 2 2 306.498 3.216 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000093659904 193284662 /nfs/dbraw/zinc/28/46/62/193284662.db2.gz NOMYQOKSTPOILE-KRWDZBQOSA-N 2 2 306.498 3.216 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000093659904 193284665 /nfs/dbraw/zinc/28/46/65/193284665.db2.gz NOMYQOKSTPOILE-KRWDZBQOSA-N 2 2 306.498 3.216 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683329 193288268 /nfs/dbraw/zinc/28/82/68/193288268.db2.gz PDEOYRMXKITOSD-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683329 193288270 /nfs/dbraw/zinc/28/82/70/193288270.db2.gz PDEOYRMXKITOSD-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000120953136 284182772 /nfs/dbraw/zinc/18/27/72/284182772.db2.gz YHNSQWZLSIUCTI-HKUYNNGSSA-N 2 2 302.462 3.090 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000120953136 284182773 /nfs/dbraw/zinc/18/27/73/284182773.db2.gz YHNSQWZLSIUCTI-HKUYNNGSSA-N 2 2 302.462 3.090 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486961041 245006029 /nfs/dbraw/zinc/00/60/29/245006029.db2.gz BFXJJDACCIGHSA-HOKKKISVSA-N 2 2 307.441 3.349 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486961041 245006035 /nfs/dbraw/zinc/00/60/35/245006035.db2.gz BFXJJDACCIGHSA-HOKKKISVSA-N 2 2 307.441 3.349 20 0 DGADLP Fc1ccc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000488303576 245175249 /nfs/dbraw/zinc/17/52/49/245175249.db2.gz BEHSWQVVZVSJSG-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488464234 245197251 /nfs/dbraw/zinc/19/72/51/245197251.db2.gz SQAUQSXFRBCSID-WMLDXEAASA-N 2 2 303.475 3.464 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488464232 245197401 /nfs/dbraw/zinc/19/74/01/245197401.db2.gz SQAUQSXFRBCSID-RHSMWYFYSA-N 2 2 303.475 3.464 20 0 DGADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)[nH]1 ZINC000488501200 245201386 /nfs/dbraw/zinc/20/13/86/245201386.db2.gz GNDGAHWNBUAEEX-QWHCGFSZSA-N 2 2 307.486 3.232 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H]3C[C@@H]3C)[nH+]c12 ZINC000488562291 245211933 /nfs/dbraw/zinc/21/19/33/245211933.db2.gz RONBKSQAVPAFDW-CMPLNLGQSA-N 2 2 322.250 3.193 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489824133 245351460 /nfs/dbraw/zinc/35/14/60/245351460.db2.gz IGGRNZYNDWNEFC-BHIYHBOVSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489824133 245351462 /nfs/dbraw/zinc/35/14/62/245351462.db2.gz IGGRNZYNDWNEFC-BHIYHBOVSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1noc(C)c1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489819226 245351808 /nfs/dbraw/zinc/35/18/08/245351808.db2.gz PNILYKLUVRBDQV-UHFFFAOYSA-N 2 2 319.371 3.140 20 0 DGADLP Cc1noc(C)c1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489819226 245351815 /nfs/dbraw/zinc/35/18/15/245351815.db2.gz PNILYKLUVRBDQV-UHFFFAOYSA-N 2 2 319.371 3.140 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000274895739 212017541 /nfs/dbraw/zinc/01/75/41/212017541.db2.gz SPZJZQNRBONTBD-GFCCVEGCSA-N 2 2 300.406 3.182 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCO1 ZINC000246385261 432125104 /nfs/dbraw/zinc/12/51/04/432125104.db2.gz KJZDBRCEVCMGKL-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCO1 ZINC000246385261 432125108 /nfs/dbraw/zinc/12/51/08/432125108.db2.gz KJZDBRCEVCMGKL-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000481244053 284339679 /nfs/dbraw/zinc/33/96/79/284339679.db2.gz ZKZQUWRDGURDIS-DOTOQJQBSA-N 2 2 308.441 3.402 20 0 DGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000481244053 284339680 /nfs/dbraw/zinc/33/96/80/284339680.db2.gz ZKZQUWRDGURDIS-DOTOQJQBSA-N 2 2 308.441 3.402 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129045897 284396131 /nfs/dbraw/zinc/39/61/31/284396131.db2.gz LRDPFONUQZFGDS-HZMBPMFUSA-N 2 2 304.331 3.274 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129045897 284396133 /nfs/dbraw/zinc/39/61/33/284396133.db2.gz LRDPFONUQZFGDS-HZMBPMFUSA-N 2 2 304.331 3.274 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000493936327 246099072 /nfs/dbraw/zinc/09/90/72/246099072.db2.gz KNXUOFOZBOCLEV-CQSZACIVSA-N 2 2 320.234 3.231 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000494504623 246156576 /nfs/dbraw/zinc/15/65/76/246156576.db2.gz AEPCFZTYOAWVAH-IXDOHACOSA-N 2 2 306.494 3.046 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000494504623 246156581 /nfs/dbraw/zinc/15/65/81/246156581.db2.gz AEPCFZTYOAWVAH-IXDOHACOSA-N 2 2 306.494 3.046 20 0 DGADLP CC[C@@H](C[NH2+]Cc1cncc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000494549335 246162061 /nfs/dbraw/zinc/16/20/61/246162061.db2.gz QTIWJKFEVPBLAZ-IBGZPJMESA-N 2 2 313.420 3.147 20 0 DGADLP CC[C@@H](C[NH2+]Cc1cncc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000494549335 246162063 /nfs/dbraw/zinc/16/20/63/246162063.db2.gz QTIWJKFEVPBLAZ-IBGZPJMESA-N 2 2 313.420 3.147 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cncc(F)c2)cc1F ZINC000494595232 246168719 /nfs/dbraw/zinc/16/87/19/246168719.db2.gz LYCCDNHFZUPIPG-UHFFFAOYSA-N 2 2 314.339 3.144 20 0 DGADLP Cc1cccc2[nH+]c(CN3CC[N@@H+](C)CC34CCCCC4)cn21 ZINC000494890532 246207356 /nfs/dbraw/zinc/20/73/56/246207356.db2.gz GABPIDJAJULVIZ-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccc2[nH+]c(CN3CC[N@H+](C)CC34CCCCC4)cn21 ZINC000494890532 246207361 /nfs/dbraw/zinc/20/73/61/246207361.db2.gz GABPIDJAJULVIZ-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)cs1 ZINC000494939698 246214624 /nfs/dbraw/zinc/21/46/24/246214624.db2.gz REKJOGIQPUACHK-VHDGCEQUSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)cs1 ZINC000494939698 246214627 /nfs/dbraw/zinc/21/46/27/246214627.db2.gz REKJOGIQPUACHK-VHDGCEQUSA-N 2 2 314.882 3.085 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183359 246244715 /nfs/dbraw/zinc/24/47/15/246244715.db2.gz KIBJNYVEFLUKEF-JKSUJKDBSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183359 246244718 /nfs/dbraw/zinc/24/47/18/246244718.db2.gz KIBJNYVEFLUKEF-JKSUJKDBSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183359 246244721 /nfs/dbraw/zinc/24/47/21/246244721.db2.gz KIBJNYVEFLUKEF-JKSUJKDBSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183359 246244725 /nfs/dbraw/zinc/24/47/25/246244725.db2.gz KIBJNYVEFLUKEF-JKSUJKDBSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cn1 ZINC000268787403 432135358 /nfs/dbraw/zinc/13/53/58/432135358.db2.gz KTEIFFNAZHQVRB-GOSISDBHSA-N 2 2 322.387 3.492 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268800998 432135697 /nfs/dbraw/zinc/13/56/97/432135697.db2.gz YKSMZJSRRPEBRH-YSSFQJQWSA-N 3 2 324.472 3.458 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268800998 432135704 /nfs/dbraw/zinc/13/57/04/432135704.db2.gz YKSMZJSRRPEBRH-YSSFQJQWSA-N 3 2 324.472 3.458 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246491137 432138203 /nfs/dbraw/zinc/13/82/03/432138203.db2.gz RWLLCGMTNLWUCU-MTNOOBJLSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246491137 432138204 /nfs/dbraw/zinc/13/82/04/432138204.db2.gz RWLLCGMTNLWUCU-MTNOOBJLSA-N 2 2 301.478 3.460 20 0 DGADLP CCC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190270213 432138916 /nfs/dbraw/zinc/13/89/16/432138916.db2.gz WGTJZNZPYCMJDF-SJLPKXTDSA-N 2 2 302.462 3.341 20 0 DGADLP CCC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000190270213 432138921 /nfs/dbraw/zinc/13/89/21/432138921.db2.gz WGTJZNZPYCMJDF-SJLPKXTDSA-N 2 2 302.462 3.341 20 0 DGADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190270213 432138923 /nfs/dbraw/zinc/13/89/23/432138923.db2.gz WGTJZNZPYCMJDF-SJLPKXTDSA-N 2 2 302.462 3.341 20 0 DGADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190270213 432138926 /nfs/dbraw/zinc/13/89/26/432138926.db2.gz WGTJZNZPYCMJDF-SJLPKXTDSA-N 2 2 302.462 3.341 20 0 DGADLP Cc1cccn2c(C[NH2+]CCc3ccc(F)c(F)c3)c[nH+]c12 ZINC000190282906 432140022 /nfs/dbraw/zinc/14/00/22/432140022.db2.gz UTIMHCHEOQXJNE-UHFFFAOYSA-N 2 2 301.340 3.253 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268813324 432140549 /nfs/dbraw/zinc/14/05/49/432140549.db2.gz JRSZHHHBUINPCH-OAUYIBNBSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268813324 432140553 /nfs/dbraw/zinc/14/05/53/432140553.db2.gz JRSZHHHBUINPCH-OAUYIBNBSA-N 2 2 304.409 3.112 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000246548929 432142504 /nfs/dbraw/zinc/14/25/04/432142504.db2.gz KFAVJHAKFPFUTO-GOEBONIOSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000246548929 432142510 /nfs/dbraw/zinc/14/25/10/432142510.db2.gz KFAVJHAKFPFUTO-GOEBONIOSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc1C ZINC000246548929 432142514 /nfs/dbraw/zinc/14/25/14/432142514.db2.gz KFAVJHAKFPFUTO-GOEBONIOSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1C ZINC000246548929 432142515 /nfs/dbraw/zinc/14/25/15/432142515.db2.gz KFAVJHAKFPFUTO-GOEBONIOSA-N 2 2 305.491 3.209 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268974276 432149453 /nfs/dbraw/zinc/14/94/53/432149453.db2.gz OHYHOIBYTYHJPT-NEWSRXKRSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268974276 432149458 /nfs/dbraw/zinc/14/94/58/432149458.db2.gz OHYHOIBYTYHJPT-NEWSRXKRSA-N 2 2 314.473 3.198 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000040600018 183107832 /nfs/dbraw/zinc/10/78/32/183107832.db2.gz CVPROISSPIRISN-GFCCVEGCSA-N 2 2 317.260 3.304 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000040600018 183107833 /nfs/dbraw/zinc/10/78/33/183107833.db2.gz CVPROISSPIRISN-GFCCVEGCSA-N 2 2 317.260 3.304 20 0 DGADLP FC(F)(F)Sc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064128 183161535 /nfs/dbraw/zinc/16/15/35/183161535.db2.gz KMIAYGJQTFAYQJ-UHFFFAOYSA-N 2 2 301.337 3.285 20 0 DGADLP c1cc2nsnc2c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000269004035 432149976 /nfs/dbraw/zinc/14/99/76/432149976.db2.gz KRYVVKDWSQHGDS-OAHLLOKOSA-N 2 2 316.474 3.142 20 0 DGADLP c1cc2nsnc2c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000269004035 432149979 /nfs/dbraw/zinc/14/99/79/432149979.db2.gz KRYVVKDWSQHGDS-OAHLLOKOSA-N 2 2 316.474 3.142 20 0 DGADLP C[C@@H](O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000104684243 194026443 /nfs/dbraw/zinc/02/64/43/194026443.db2.gz ZTSQIWRRWPGXMF-MRXNPFEDSA-N 2 2 313.445 3.388 20 0 DGADLP C[C@@H](O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000104684243 194026447 /nfs/dbraw/zinc/02/64/47/194026447.db2.gz ZTSQIWRRWPGXMF-MRXNPFEDSA-N 2 2 313.445 3.388 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000421800880 284741441 /nfs/dbraw/zinc/74/14/41/284741441.db2.gz JGNROFOQCSBXDL-AEFFLSMTSA-N 2 2 304.478 3.097 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000105897700 194162695 /nfs/dbraw/zinc/16/26/95/194162695.db2.gz JNASXRARKKJIMY-JSGCOSHPSA-N 2 2 315.421 3.104 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000105897700 194162698 /nfs/dbraw/zinc/16/26/98/194162698.db2.gz JNASXRARKKJIMY-JSGCOSHPSA-N 2 2 315.421 3.104 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000106434960 194212805 /nfs/dbraw/zinc/21/28/05/194212805.db2.gz STPIKCLHURJAEG-KRWDZBQOSA-N 2 2 313.401 3.399 20 0 DGADLP CCC[N@H+](C)[C@H](CNCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000285363506 218399176 /nfs/dbraw/zinc/39/91/76/218399176.db2.gz ANZWAXIAWLHZIZ-QGZVFWFLSA-N 2 2 320.868 3.246 20 0 DGADLP CCC[N@@H+](C)[C@H](CNCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000285363506 218399178 /nfs/dbraw/zinc/39/91/78/218399178.db2.gz ANZWAXIAWLHZIZ-QGZVFWFLSA-N 2 2 320.868 3.246 20 0 DGADLP Brc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109795577 194286331 /nfs/dbraw/zinc/28/63/31/194286331.db2.gz JIYUQVBWQBNVAS-UHFFFAOYSA-N 2 2 320.234 3.483 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCC(F)(F)F)cc1 ZINC000268839118 207003682 /nfs/dbraw/zinc/00/36/82/207003682.db2.gz YZPOEIBGRYERJD-GXTWGEPZSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCC(F)(F)F)cc1 ZINC000268839118 207003684 /nfs/dbraw/zinc/00/36/84/207003684.db2.gz YZPOEIBGRYERJD-GXTWGEPZSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000268864203 207034598 /nfs/dbraw/zinc/03/45/98/207034598.db2.gz STKPFKPKSVVVSS-RYUDHWBXSA-N 2 2 317.260 3.101 20 0 DGADLP COc1cc(C)[nH+]c(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000273419634 210759805 /nfs/dbraw/zinc/75/98/05/210759805.db2.gz QKPHOPVWQUMRBP-UHFFFAOYSA-N 2 2 315.417 3.051 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268892658 207062463 /nfs/dbraw/zinc/06/24/63/207062463.db2.gz JPOPQOOFTHOAFK-WBVHZDCISA-N 2 2 321.534 3.084 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268892658 207062465 /nfs/dbraw/zinc/06/24/65/207062465.db2.gz JPOPQOOFTHOAFK-WBVHZDCISA-N 2 2 321.534 3.084 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268892652 207063013 /nfs/dbraw/zinc/06/30/13/207063013.db2.gz JPOPQOOFTHOAFK-DOTOQJQBSA-N 2 2 321.534 3.084 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268892652 207063017 /nfs/dbraw/zinc/06/30/17/207063017.db2.gz JPOPQOOFTHOAFK-DOTOQJQBSA-N 2 2 321.534 3.084 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906793 207075469 /nfs/dbraw/zinc/07/54/69/207075469.db2.gz MCPWNNRKJURGSC-DYESRHJHSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906793 207075471 /nfs/dbraw/zinc/07/54/71/207075471.db2.gz MCPWNNRKJURGSC-DYESRHJHSA-N 2 2 323.484 3.250 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCOCC2CC2)CC1 ZINC000268928307 207095353 /nfs/dbraw/zinc/09/53/53/207095353.db2.gz QDCYTFCYCDEDLY-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000269040446 207188541 /nfs/dbraw/zinc/18/85/41/207188541.db2.gz GKPMFJQSTACVQH-QEEYODRMSA-N 3 2 324.472 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000269040446 207188547 /nfs/dbraw/zinc/18/85/47/207188547.db2.gz GKPMFJQSTACVQH-QEEYODRMSA-N 3 2 324.472 3.314 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680900 184182265 /nfs/dbraw/zinc/18/22/65/184182265.db2.gz HTZKCXKZHMCWCV-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680900 184182268 /nfs/dbraw/zinc/18/22/68/184182268.db2.gz HTZKCXKZHMCWCV-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061981472 184199675 /nfs/dbraw/zinc/19/96/75/184199675.db2.gz MTHLUBQVNHDFNM-SWLSCSKDSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061981472 184199676 /nfs/dbraw/zinc/19/96/76/184199676.db2.gz MTHLUBQVNHDFNM-SWLSCSKDSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269121921 207256643 /nfs/dbraw/zinc/25/66/43/207256643.db2.gz FWLFGHAMRYXPNF-YOEHRIQHSA-N 2 2 302.466 3.213 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000113516496 194600090 /nfs/dbraw/zinc/60/00/90/194600090.db2.gz JYFRHGHQRXXDQG-LBPRGKRZSA-N 2 2 317.260 3.256 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000113516496 194600092 /nfs/dbraw/zinc/60/00/92/194600092.db2.gz JYFRHGHQRXXDQG-LBPRGKRZSA-N 2 2 317.260 3.256 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(C)[nH+]1 ZINC000408464855 291815255 /nfs/dbraw/zinc/81/52/55/291815255.db2.gz IWEXGNFGJWCPCA-CQSZACIVSA-N 2 2 313.405 3.489 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248630069 285012412 /nfs/dbraw/zinc/01/24/12/285012412.db2.gz GUHBLMHUCIOYJE-IIDMSEBBSA-N 2 2 320.477 3.388 20 0 DGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000248738810 285021567 /nfs/dbraw/zinc/02/15/67/285021567.db2.gz PLQBHCKNNXKYBH-HSFUPAIVSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000248738810 285021569 /nfs/dbraw/zinc/02/15/69/285021569.db2.gz PLQBHCKNNXKYBH-HSFUPAIVSA-N 2 2 306.494 3.044 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119960489 195071111 /nfs/dbraw/zinc/07/11/11/195071111.db2.gz JZMYJEATOUANOO-BBWFWOEESA-N 2 2 320.477 3.235 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119960489 195071112 /nfs/dbraw/zinc/07/11/12/195071112.db2.gz JZMYJEATOUANOO-BBWFWOEESA-N 2 2 320.477 3.235 20 0 DGADLP Cc1[nH+]cc(CNCC[N@@H+](C)C2CCCC2)n1-c1ccccc1 ZINC000336865174 253013334 /nfs/dbraw/zinc/01/33/34/253013334.db2.gz CFKWMLABFWYQAH-UHFFFAOYSA-N 2 2 312.461 3.145 20 0 DGADLP Cc1[nH+]cc(CNCC[N@H+](C)C2CCCC2)n1-c1ccccc1 ZINC000336865174 253013335 /nfs/dbraw/zinc/01/33/35/253013335.db2.gz CFKWMLABFWYQAH-UHFFFAOYSA-N 2 2 312.461 3.145 20 0 DGADLP C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336862958 253012514 /nfs/dbraw/zinc/01/25/14/253012514.db2.gz CKNSPDACWRTFBT-HNNXBMFYSA-N 2 2 307.397 3.471 20 0 DGADLP COc1cccc(CCC[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000337040807 253039217 /nfs/dbraw/zinc/03/92/17/253039217.db2.gz AZORGYXUIRHFQK-VQTJNVASSA-N 2 2 310.441 3.055 20 0 DGADLP COc1cccc(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000337040807 253039220 /nfs/dbraw/zinc/03/92/20/253039220.db2.gz AZORGYXUIRHFQK-VQTJNVASSA-N 2 2 310.441 3.055 20 0 DGADLP c1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871396 253015750 /nfs/dbraw/zinc/01/57/50/253015750.db2.gz FUJGRWYJPGSTNI-ROUUACIJSA-N 2 2 316.445 3.417 20 0 DGADLP c1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871396 253015752 /nfs/dbraw/zinc/01/57/52/253015752.db2.gz FUJGRWYJPGSTNI-ROUUACIJSA-N 2 2 316.445 3.417 20 0 DGADLP CCCC[N@H+](Cc1noc(C[NH3+])n1)[C@@H](CC)c1ccccc1 ZINC000337078674 253043913 /nfs/dbraw/zinc/04/39/13/253043913.db2.gz SWBBNFLCNVPSEN-HNNXBMFYSA-N 2 2 302.422 3.282 20 0 DGADLP CCCC[N@@H+](Cc1noc(C[NH3+])n1)[C@@H](CC)c1ccccc1 ZINC000337078674 253043916 /nfs/dbraw/zinc/04/39/16/253043916.db2.gz SWBBNFLCNVPSEN-HNNXBMFYSA-N 2 2 302.422 3.282 20 0 DGADLP CC(C)n1nccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266954 253074093 /nfs/dbraw/zinc/07/40/93/253074093.db2.gz ZPYGEQYQRAGLOP-RTBURBONSA-N 2 2 324.472 3.028 20 0 DGADLP CC[NH+](CC)CC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000337480708 253124498 /nfs/dbraw/zinc/12/44/98/253124498.db2.gz WOOAKHUFKBXWEU-OAHLLOKOSA-N 2 2 318.465 3.049 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000337383637 253102891 /nfs/dbraw/zinc/10/28/91/253102891.db2.gz KCRZAHIRAKNGOF-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000337383637 253102894 /nfs/dbraw/zinc/10/28/94/253102894.db2.gz KCRZAHIRAKNGOF-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414755 253110979 /nfs/dbraw/zinc/11/09/79/253110979.db2.gz YTGZZUTUSSIONN-WBVHZDCISA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414755 253110980 /nfs/dbraw/zinc/11/09/80/253110980.db2.gz YTGZZUTUSSIONN-WBVHZDCISA-N 2 2 320.477 3.017 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1OC ZINC000337455308 253119428 /nfs/dbraw/zinc/11/94/28/253119428.db2.gz JBDBPXZVSYHBCK-HNNXBMFYSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)ccc1F ZINC000337330641 253089029 /nfs/dbraw/zinc/08/90/29/253089029.db2.gz GMZSGLIBOZQANN-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)ccc1F ZINC000337330641 253089030 /nfs/dbraw/zinc/08/90/30/253089030.db2.gz GMZSGLIBOZQANN-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000337356872 253096076 /nfs/dbraw/zinc/09/60/76/253096076.db2.gz AWEXVUNKEAUPCH-HNNXBMFYSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000337356872 253096077 /nfs/dbraw/zinc/09/60/77/253096077.db2.gz AWEXVUNKEAUPCH-HNNXBMFYSA-N 2 2 320.477 3.017 20 0 DGADLP COC1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000337588631 253143655 /nfs/dbraw/zinc/14/36/55/253143655.db2.gz VAQOFYJOGZYVOG-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP COC1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000337588631 253143657 /nfs/dbraw/zinc/14/36/57/253143657.db2.gz VAQOFYJOGZYVOG-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000337503181 253129082 /nfs/dbraw/zinc/12/90/82/253129082.db2.gz CLIYLRUWRIJVGP-CABCVRRESA-N 2 2 301.434 3.290 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337802243 253176991 /nfs/dbraw/zinc/17/69/91/253176991.db2.gz IXSAXQSMPKTONU-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337802243 253176993 /nfs/dbraw/zinc/17/69/93/253176993.db2.gz IXSAXQSMPKTONU-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000270311847 208383345 /nfs/dbraw/zinc/38/33/45/208383345.db2.gz IXMFBSVGRISFNQ-AWEZNQCLSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000270311847 208383348 /nfs/dbraw/zinc/38/33/48/208383348.db2.gz IXMFBSVGRISFNQ-AWEZNQCLSA-N 2 2 312.442 3.466 20 0 DGADLP COCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000338012692 253210007 /nfs/dbraw/zinc/21/00/07/253210007.db2.gz MGRGXZDZQSMCCF-INIZCTEOSA-N 2 2 305.466 3.091 20 0 DGADLP c1ccc(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000338133395 253228996 /nfs/dbraw/zinc/22/89/96/253228996.db2.gz IQOGNTUGUUIQHR-UHFFFAOYSA-N 2 2 309.457 3.268 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000252712172 285104324 /nfs/dbraw/zinc/10/43/24/285104324.db2.gz LRDPFONUQZFGDS-IINYFYTJSA-N 2 2 304.331 3.274 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000252712172 285104325 /nfs/dbraw/zinc/10/43/25/285104325.db2.gz LRDPFONUQZFGDS-IINYFYTJSA-N 2 2 304.331 3.274 20 0 DGADLP CC[N@H+](Cc1cccc2[nH+]ccn21)[C@H](COC)Cc1ccccc1 ZINC000342929901 285107519 /nfs/dbraw/zinc/10/75/19/285107519.db2.gz SFSLKXJYERAVPE-IBGZPJMESA-N 2 2 323.440 3.414 20 0 DGADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@H](COC)Cc1ccccc1 ZINC000342929901 285107520 /nfs/dbraw/zinc/10/75/20/285107520.db2.gz SFSLKXJYERAVPE-IBGZPJMESA-N 2 2 323.440 3.414 20 0 DGADLP Cc1ccc2c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc(O)c2n1 ZINC000338274630 253254662 /nfs/dbraw/zinc/25/46/62/253254662.db2.gz KXBCKBRJMCQJKI-HNNXBMFYSA-N 2 2 322.412 3.352 20 0 DGADLP Cc1ccc2c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc(O)c2n1 ZINC000338274630 253254664 /nfs/dbraw/zinc/25/46/64/253254664.db2.gz KXBCKBRJMCQJKI-HNNXBMFYSA-N 2 2 322.412 3.352 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000338379689 253277504 /nfs/dbraw/zinc/27/75/04/253277504.db2.gz MRKQXLBRXWDBHI-INIZCTEOSA-N 2 2 307.800 3.416 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000338379689 253277505 /nfs/dbraw/zinc/27/75/05/253277505.db2.gz MRKQXLBRXWDBHI-INIZCTEOSA-N 2 2 307.800 3.416 20 0 DGADLP Cc1ccc(C[NH2+]CCc2cc[nH+]cc2C)c(-c2ccnn2C)c1 ZINC000338440334 253288048 /nfs/dbraw/zinc/28/80/48/253288048.db2.gz QLJXXGYPSMLWOZ-UHFFFAOYSA-N 2 2 320.440 3.431 20 0 DGADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(Br)c1 ZINC000159273953 197341419 /nfs/dbraw/zinc/34/14/19/197341419.db2.gz BFGHKCURSOWMEK-UHFFFAOYSA-N 2 2 308.223 3.134 20 0 DGADLP CC[N@H+](Cc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000345196482 285116598 /nfs/dbraw/zinc/11/65/98/285116598.db2.gz DJQQOPPBZQKIGH-CQSZACIVSA-N 2 2 311.267 3.413 20 0 DGADLP CC[N@@H+](Cc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000345196482 285116600 /nfs/dbraw/zinc/11/66/00/285116600.db2.gz DJQQOPPBZQKIGH-CQSZACIVSA-N 2 2 311.267 3.413 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566463 253311705 /nfs/dbraw/zinc/31/17/05/253311705.db2.gz IUJFNUVCKSMKSX-WMZOPIPTSA-N 2 2 313.445 3.062 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566463 253311707 /nfs/dbraw/zinc/31/17/07/253311707.db2.gz IUJFNUVCKSMKSX-WMZOPIPTSA-N 2 2 313.445 3.062 20 0 DGADLP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000338781100 253350732 /nfs/dbraw/zinc/35/07/32/253350732.db2.gz AXUKRHYABYRENJ-BJWYYQGGSA-N 2 2 317.477 3.234 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585560 197285377 /nfs/dbraw/zinc/28/53/77/197285377.db2.gz NOWJWKWYVBBIST-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585560 197285379 /nfs/dbraw/zinc/28/53/79/197285379.db2.gz NOWJWKWYVBBIST-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585560 197285380 /nfs/dbraw/zinc/28/53/80/197285380.db2.gz NOWJWKWYVBBIST-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585560 197285382 /nfs/dbraw/zinc/28/53/82/197285382.db2.gz NOWJWKWYVBBIST-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342595709 254015831 /nfs/dbraw/zinc/01/58/31/254015831.db2.gz MSAAWPKNSYQCAW-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342595709 254015833 /nfs/dbraw/zinc/01/58/33/254015833.db2.gz MSAAWPKNSYQCAW-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)[nH+]1 ZINC000342704948 254035949 /nfs/dbraw/zinc/03/59/49/254035949.db2.gz OIECCJPQTXSEIN-SFHVURJKSA-N 2 2 307.397 3.378 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H](Oc3ccccc3)C2)[nH+]1 ZINC000342704948 254035951 /nfs/dbraw/zinc/03/59/51/254035951.db2.gz OIECCJPQTXSEIN-SFHVURJKSA-N 2 2 307.397 3.378 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000342746740 254041880 /nfs/dbraw/zinc/04/18/80/254041880.db2.gz GXIXTTFRCNKRKZ-WFASDCNBSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000342746740 254041881 /nfs/dbraw/zinc/04/18/81/254041881.db2.gz GXIXTTFRCNKRKZ-WFASDCNBSA-N 2 2 302.447 3.300 20 0 DGADLP CC[NH+](CC)CCN(Cc1cccs1)Cc1[nH+]cc(C)n1C ZINC000342797240 254051965 /nfs/dbraw/zinc/05/19/65/254051965.db2.gz OCFBXITUHDVOEO-UHFFFAOYSA-N 2 2 320.506 3.134 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000427879481 533122400 /nfs/dbraw/zinc/12/24/00/533122400.db2.gz YAMYARDFERUEPL-OCCSQVGLSA-N 2 2 317.458 3.279 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000157528753 197193730 /nfs/dbraw/zinc/19/37/30/197193730.db2.gz XFJVKGXDDHCAFS-PKOBYXMFSA-N 2 2 312.461 3.088 20 0 DGADLP c1ccc2c(c1)CC[NH+](CCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000343288982 254124436 /nfs/dbraw/zinc/12/44/36/254124436.db2.gz ZRGZCVHKIPDQQV-UHFFFAOYSA-N 2 2 306.453 3.493 20 0 DGADLP c1ccc2c(c1)CC[NH+](CCC[N@H+]1CCc3ccccc3C1)C2 ZINC000343288982 254124438 /nfs/dbraw/zinc/12/44/38/254124438.db2.gz ZRGZCVHKIPDQQV-UHFFFAOYSA-N 2 2 306.453 3.493 20 0 DGADLP CC[N@@H+]1CCO[C@@H](CNc2cccc(C)[nH+]2)[C@@H]1c1ccccc1 ZINC000343319810 254127048 /nfs/dbraw/zinc/12/70/48/254127048.db2.gz JZYRVQLQZIBBFK-HKUYNNGSSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@@H](CNc2cccc(C)[nH+]2)[C@@H]1c1ccccc1 ZINC000343319810 254127051 /nfs/dbraw/zinc/12/70/51/254127051.db2.gz JZYRVQLQZIBBFK-HKUYNNGSSA-N 2 2 311.429 3.264 20 0 DGADLP COc1cccc2c(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)cc[nH+]c12 ZINC000343625763 254169746 /nfs/dbraw/zinc/16/97/46/254169746.db2.gz LFESNPHEIUEMGY-HUUCEWRRSA-N 2 2 311.429 3.306 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000343669675 254175550 /nfs/dbraw/zinc/17/55/50/254175550.db2.gz QXJACGIXGODZPV-SFHVURJKSA-N 2 2 322.456 3.026 20 0 DGADLP Cc1cc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000343669675 254175551 /nfs/dbraw/zinc/17/55/51/254175551.db2.gz QXJACGIXGODZPV-SFHVURJKSA-N 2 2 322.456 3.026 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1 ZINC000343951009 254205280 /nfs/dbraw/zinc/20/52/80/254205280.db2.gz ZNRBWLKMTACBEC-QGZVFWFLSA-N 2 2 310.869 3.490 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)c2)c[nH+]1 ZINC000344090553 254223645 /nfs/dbraw/zinc/22/36/45/254223645.db2.gz CLKYXPUWUNNCFN-IPMKNSEASA-N 2 2 323.440 3.310 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@@H]2CCCO[C@@H]21 ZINC000344103963 254225082 /nfs/dbraw/zinc/22/50/82/254225082.db2.gz PCSJEIJPAMLLMX-KSZLIROESA-N 2 2 311.429 3.166 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1OC(C)C ZINC000344625926 254289878 /nfs/dbraw/zinc/28/98/78/254289878.db2.gz KHNVTCWVGJYNFD-GDBMZVCRSA-N 2 2 306.450 3.055 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(C)C ZINC000344625926 254289879 /nfs/dbraw/zinc/28/98/79/254289879.db2.gz KHNVTCWVGJYNFD-GDBMZVCRSA-N 2 2 306.450 3.055 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000157097883 197162032 /nfs/dbraw/zinc/16/20/32/197162032.db2.gz PHIMOKMDGZPSCA-MAUKXSAKSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000157097883 197162034 /nfs/dbraw/zinc/16/20/34/197162034.db2.gz PHIMOKMDGZPSCA-MAUKXSAKSA-N 2 2 322.880 3.324 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)ccc1Br ZINC000344320495 254256376 /nfs/dbraw/zinc/25/63/76/254256376.db2.gz CPNJUZOFIDWNJV-DOMZBBRYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1Br ZINC000344320495 254256378 /nfs/dbraw/zinc/25/63/78/254256378.db2.gz CPNJUZOFIDWNJV-DOMZBBRYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1Br ZINC000344350380 254260732 /nfs/dbraw/zinc/26/07/32/254260732.db2.gz IOXGCBSWCXHELF-SWLSCSKDSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1Br ZINC000344350380 254260734 /nfs/dbraw/zinc/26/07/34/254260734.db2.gz IOXGCBSWCXHELF-SWLSCSKDSA-N 2 2 311.267 3.330 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@@H+]1C ZINC000344356147 254261202 /nfs/dbraw/zinc/26/12/02/254261202.db2.gz MATKEXZQRGQKNL-DOMZBBRYSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@H+]1C ZINC000344356147 254261203 /nfs/dbraw/zinc/26/12/03/254261203.db2.gz MATKEXZQRGQKNL-DOMZBBRYSA-N 2 2 316.367 3.200 20 0 DGADLP C[NH+](C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000344529291 254279968 /nfs/dbraw/zinc/27/99/68/254279968.db2.gz HPQHMNXHHFBWHJ-GOSISDBHSA-N 2 2 320.396 3.114 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000345282128 254348857 /nfs/dbraw/zinc/34/88/57/254348857.db2.gz YNOJWOGZOSQBGD-VXGBXAGGSA-N 2 2 302.871 3.163 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344070 254355883 /nfs/dbraw/zinc/35/58/83/254355883.db2.gz AFTLNRUVPVYEHT-NXHRZFHOSA-N 2 2 310.445 3.001 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344070 254355884 /nfs/dbraw/zinc/35/58/84/254355884.db2.gz AFTLNRUVPVYEHT-NXHRZFHOSA-N 2 2 310.445 3.001 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344067 254355896 /nfs/dbraw/zinc/35/58/96/254355896.db2.gz AFTLNRUVPVYEHT-KBAYOESNSA-N 2 2 310.445 3.001 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344067 254355898 /nfs/dbraw/zinc/35/58/98/254355898.db2.gz AFTLNRUVPVYEHT-KBAYOESNSA-N 2 2 310.445 3.001 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000345349510 254356104 /nfs/dbraw/zinc/35/61/04/254356104.db2.gz MYJBRZOBYWQMGB-RBUKOAKNSA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000345349510 254356105 /nfs/dbraw/zinc/35/61/05/254356105.db2.gz MYJBRZOBYWQMGB-RBUKOAKNSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1Br ZINC000156727978 197136933 /nfs/dbraw/zinc/13/69/33/197136933.db2.gz BLFKWPCUZCGHNA-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccccc2F)cc1 ZINC000414894600 533146984 /nfs/dbraw/zinc/14/69/84/533146984.db2.gz ZPJZZESKRONHIX-PKOBYXMFSA-N 2 2 314.404 3.070 20 0 DGADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000272181203 285209908 /nfs/dbraw/zinc/20/99/08/285209908.db2.gz FWGRRISDFOLZJA-GOEBONIOSA-N 2 2 314.433 3.296 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C3CC[NH+](C4CC4)CC3)co2)cc1 ZINC000155407582 197052223 /nfs/dbraw/zinc/05/22/23/197052223.db2.gz GRYPLPIRMOQEQK-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296226 197041519 /nfs/dbraw/zinc/04/15/19/197041519.db2.gz FWUYBBOSUYZKJX-MPGHIAIKSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296226 197041521 /nfs/dbraw/zinc/04/15/21/197041521.db2.gz FWUYBBOSUYZKJX-MPGHIAIKSA-N 2 2 313.445 3.468 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415049470 533185049 /nfs/dbraw/zinc/18/50/49/533185049.db2.gz AQJDQSWHVKFUQI-SFHVURJKSA-N 2 2 313.445 3.220 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000294784973 224219416 /nfs/dbraw/zinc/21/94/16/224219416.db2.gz NZRLAACQQYWUJS-CTWPCTMYSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000294784973 224219418 /nfs/dbraw/zinc/21/94/18/224219418.db2.gz NZRLAACQQYWUJS-CTWPCTMYSA-N 2 2 302.462 3.056 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292709350 285255216 /nfs/dbraw/zinc/25/52/16/285255216.db2.gz DDDIBCUGJGCKQH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292709350 285255219 /nfs/dbraw/zinc/25/52/19/285255219.db2.gz DDDIBCUGJGCKQH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292709350 285255222 /nfs/dbraw/zinc/25/52/22/285255222.db2.gz DDDIBCUGJGCKQH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292709350 285255225 /nfs/dbraw/zinc/25/52/25/285255225.db2.gz DDDIBCUGJGCKQH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP Cc1cnc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000295918958 285263969 /nfs/dbraw/zinc/26/39/69/285263969.db2.gz ZXUQHWBPSKEWBN-AWEZNQCLSA-N 2 2 316.474 3.162 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000120444690 195167892 /nfs/dbraw/zinc/16/78/92/195167892.db2.gz XQJXOHNNIZXHNI-HKUYNNGSSA-N 2 2 324.472 3.055 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000120444690 195167895 /nfs/dbraw/zinc/16/78/95/195167895.db2.gz XQJXOHNNIZXHNI-HKUYNNGSSA-N 2 2 324.472 3.055 20 0 DGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000120491594 195177641 /nfs/dbraw/zinc/17/76/41/195177641.db2.gz DYDFWOGYMGCHNR-HNNXBMFYSA-N 2 2 303.406 3.031 20 0 DGADLP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000120728471 195225353 /nfs/dbraw/zinc/22/53/53/195225353.db2.gz SYJJEQXCIMWEKQ-QZTJIDSGSA-N 2 2 322.880 3.198 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000289507803 221026426 /nfs/dbraw/zinc/02/64/26/221026426.db2.gz FCASBXDEUINXQN-JOCHJYFZSA-N 2 2 316.470 3.192 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000289507803 221026429 /nfs/dbraw/zinc/02/64/29/221026429.db2.gz FCASBXDEUINXQN-JOCHJYFZSA-N 2 2 316.470 3.192 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C2CC2)nc2sccn12 ZINC000289533448 221047887 /nfs/dbraw/zinc/04/78/87/221047887.db2.gz WEMBJDPJGCNSQG-UHFFFAOYSA-N 2 2 306.479 3.047 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C2CC2)nc2sccn12 ZINC000289533448 221047890 /nfs/dbraw/zinc/04/78/90/221047890.db2.gz WEMBJDPJGCNSQG-UHFFFAOYSA-N 2 2 306.479 3.047 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccco2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289718971 221177029 /nfs/dbraw/zinc/17/70/29/221177029.db2.gz PFRVUMARFXBFCE-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccco2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289718971 221177030 /nfs/dbraw/zinc/17/70/30/221177030.db2.gz PFRVUMARFXBFCE-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1cnc(-c2ccco2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289718971 221177031 /nfs/dbraw/zinc/17/70/31/221177031.db2.gz PFRVUMARFXBFCE-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1cnc(-c2ccco2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289718971 221177032 /nfs/dbraw/zinc/17/70/32/221177032.db2.gz PFRVUMARFXBFCE-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP CCc1ncc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)s1 ZINC000289758345 221205182 /nfs/dbraw/zinc/20/51/82/221205182.db2.gz JPMQSYBIZFIQGE-UHFFFAOYSA-N 2 2 307.463 3.252 20 0 DGADLP CCc1ncc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)s1 ZINC000289758345 221205184 /nfs/dbraw/zinc/20/51/84/221205184.db2.gz JPMQSYBIZFIQGE-UHFFFAOYSA-N 2 2 307.463 3.252 20 0 DGADLP CCc1ncc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)s1 ZINC000289758345 221205186 /nfs/dbraw/zinc/20/51/86/221205186.db2.gz JPMQSYBIZFIQGE-UHFFFAOYSA-N 2 2 307.463 3.252 20 0 DGADLP CCc1ncc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)s1 ZINC000289758345 221205188 /nfs/dbraw/zinc/20/51/88/221205188.db2.gz JPMQSYBIZFIQGE-UHFFFAOYSA-N 2 2 307.463 3.252 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)nc1 ZINC000289811827 221243274 /nfs/dbraw/zinc/24/32/74/221243274.db2.gz PLBJDHNNLMYKLA-NSHDSACASA-N 2 2 324.266 3.122 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ncccc1Cl ZINC000289964811 221346381 /nfs/dbraw/zinc/34/63/81/221346381.db2.gz BMGUXTRUCMAGBU-UHFFFAOYSA-N 2 2 305.809 3.040 20 0 DGADLP COc1ccsc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289966630 221348486 /nfs/dbraw/zinc/34/84/86/221348486.db2.gz YUIPLGVVIORUNH-UHFFFAOYSA-N 2 2 308.447 3.304 20 0 DGADLP COc1ccsc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289966630 221348488 /nfs/dbraw/zinc/34/84/88/221348488.db2.gz YUIPLGVVIORUNH-UHFFFAOYSA-N 2 2 308.447 3.304 20 0 DGADLP COc1ccsc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000289966630 221348490 /nfs/dbraw/zinc/34/84/90/221348490.db2.gz YUIPLGVVIORUNH-UHFFFAOYSA-N 2 2 308.447 3.304 20 0 DGADLP COc1ccsc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000289966630 221348491 /nfs/dbraw/zinc/34/84/91/221348491.db2.gz YUIPLGVVIORUNH-UHFFFAOYSA-N 2 2 308.447 3.304 20 0 DGADLP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289994814 221367252 /nfs/dbraw/zinc/36/72/52/221367252.db2.gz KSLLUFZMBRALHZ-CXAGYDPISA-N 2 2 319.836 3.078 20 0 DGADLP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCc1c[nH+]cn1C ZINC000289994814 221367254 /nfs/dbraw/zinc/36/72/54/221367254.db2.gz KSLLUFZMBRALHZ-CXAGYDPISA-N 2 2 319.836 3.078 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290007441 221376285 /nfs/dbraw/zinc/37/62/85/221376285.db2.gz DNDVXSKVTWUFSH-IRXDYDNUSA-N 2 2 311.385 3.201 20 0 DGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290007429 221376743 /nfs/dbraw/zinc/37/67/43/221376743.db2.gz DNDVXSKVTWUFSH-DLBZAZTESA-N 2 2 311.385 3.201 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294968750 224347956 /nfs/dbraw/zinc/34/79/56/224347956.db2.gz NUKMRRDQAARSET-QXAKKESOSA-N 2 2 313.445 3.024 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294968750 224347959 /nfs/dbraw/zinc/34/79/59/224347959.db2.gz NUKMRRDQAARSET-QXAKKESOSA-N 2 2 313.445 3.024 20 0 DGADLP Cc1ncsc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349384850 285342915 /nfs/dbraw/zinc/34/29/15/285342915.db2.gz PWJOUASWBQKGLS-UHFFFAOYSA-N 2 2 304.463 3.340 20 0 DGADLP Fc1cccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000352536014 285353767 /nfs/dbraw/zinc/35/37/67/285353767.db2.gz YIBHGSRKVJNHMO-SFHVURJKSA-N 2 2 300.377 3.307 20 0 DGADLP Fc1cccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000352536014 285353772 /nfs/dbraw/zinc/35/37/72/285353772.db2.gz YIBHGSRKVJNHMO-SFHVURJKSA-N 2 2 300.377 3.307 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540487 285355429 /nfs/dbraw/zinc/35/54/29/285355429.db2.gz LSNZULXUCNCKKH-QGZVFWFLSA-N 2 2 305.491 3.376 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540487 285355431 /nfs/dbraw/zinc/35/54/31/285355431.db2.gz LSNZULXUCNCKKH-QGZVFWFLSA-N 2 2 305.491 3.376 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000121778380 195345807 /nfs/dbraw/zinc/34/58/07/195345807.db2.gz OERGMPSUGVPIPD-LULLPPNCSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000121778380 195345811 /nfs/dbraw/zinc/34/58/11/195345811.db2.gz OERGMPSUGVPIPD-LULLPPNCSA-N 2 2 314.473 3.054 20 0 DGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000121778481 195346002 /nfs/dbraw/zinc/34/60/02/195346002.db2.gz UGULJZBTXNYOPJ-HNNXBMFYSA-N 2 2 305.809 3.348 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000479848154 285371901 /nfs/dbraw/zinc/37/19/01/285371901.db2.gz FGLOJIHYPBLFGY-OALUTQOASA-N 2 2 304.478 3.474 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271622701 209069531 /nfs/dbraw/zinc/06/95/31/209069531.db2.gz NCGLLFPFXYHFIY-QWHCGFSZSA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271622701 209069533 /nfs/dbraw/zinc/06/95/33/209069533.db2.gz NCGLLFPFXYHFIY-QWHCGFSZSA-N 2 2 317.389 3.038 20 0 DGADLP COc1ccc2oc(C[NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)cc2c1 ZINC000415040026 533357101 /nfs/dbraw/zinc/35/71/01/533357101.db2.gz JONQQQNWGLKDQA-RBUKOAKNSA-N 2 2 322.408 3.287 20 0 DGADLP C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000322142924 533361327 /nfs/dbraw/zinc/36/13/27/533361327.db2.gz JXOKKQGAYGMDQO-MRXNPFEDSA-N 2 2 312.461 3.397 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C3CC3)cs2)c1 ZINC000430578590 533375231 /nfs/dbraw/zinc/37/52/31/533375231.db2.gz AYXAOCALGVWKIA-KRWDZBQOSA-N 2 2 317.458 3.036 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)ccc1F ZINC000149329004 533407223 /nfs/dbraw/zinc/40/72/23/533407223.db2.gz VCYFNAMHQNQNJD-SNVBAGLBSA-N 2 2 312.186 3.136 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415044729 533424107 /nfs/dbraw/zinc/42/41/07/533424107.db2.gz BAIJQQINYYCEOJ-LBPRGKRZSA-N 2 2 305.249 3.465 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427891578 533528630 /nfs/dbraw/zinc/52/86/30/533528630.db2.gz LQUJZZFZGGWYSL-VXGBXAGGSA-N 2 2 307.344 3.150 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427891567 533548280 /nfs/dbraw/zinc/54/82/80/533548280.db2.gz LQUJZZFZGGWYSL-NEPJUHHUSA-N 2 2 307.344 3.150 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)sc1Br ZINC000415050872 533630417 /nfs/dbraw/zinc/63/04/17/533630417.db2.gz DJQGHKLTQBGFFL-ZWNOBZJWSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)sc1Br ZINC000415050872 533630430 /nfs/dbraw/zinc/63/04/30/533630430.db2.gz DJQGHKLTQBGFFL-ZWNOBZJWSA-N 2 2 317.296 3.236 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000262050631 285443171 /nfs/dbraw/zinc/44/31/71/285443171.db2.gz CUGGHJZAOKYQFB-YESZJQIVSA-N 2 2 300.450 3.014 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000163851193 132123758 /nfs/dbraw/zinc/12/37/58/132123758.db2.gz KWRHTYBTNXMQOJ-YPMHNXCESA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000163851193 132123760 /nfs/dbraw/zinc/12/37/60/132123760.db2.gz KWRHTYBTNXMQOJ-YPMHNXCESA-N 2 2 307.488 3.288 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000356871685 285531798 /nfs/dbraw/zinc/53/17/98/285531798.db2.gz OUIOVBHVVHWDHS-HUUCEWRRSA-N 2 2 322.415 3.196 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740193 292108791 /nfs/dbraw/zinc/10/87/91/292108791.db2.gz BAAZSOZKHLOMOF-ILZDJORESA-N 2 2 309.457 3.404 20 0 DGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000357691186 285828965 /nfs/dbraw/zinc/82/89/65/285828965.db2.gz IPEJIAWPMZVSMD-HOTGVXAUSA-N 2 2 320.481 3.123 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000584686956 400088537 /nfs/dbraw/zinc/08/85/37/400088537.db2.gz ABWYWTNXWAZAEV-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000584686956 400088539 /nfs/dbraw/zinc/08/85/39/400088539.db2.gz ABWYWTNXWAZAEV-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)n1C ZINC000584730723 400096046 /nfs/dbraw/zinc/09/60/46/400096046.db2.gz BZCFBMZGNXBBDE-UHFFFAOYSA-N 2 2 315.751 3.273 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc2ccccc2n1C(F)F ZINC000091261991 400109098 /nfs/dbraw/zinc/10/90/98/400109098.db2.gz ZTFFQWLHGDCJKA-GFCCVEGCSA-N 2 2 319.359 3.369 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000090847396 400079836 /nfs/dbraw/zinc/07/98/36/400079836.db2.gz KJTCXZQDHKYXBM-LHSJRXKWSA-N 2 2 302.443 3.021 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1sccc1Br)C[NH+](C)C ZINC000309763214 400131558 /nfs/dbraw/zinc/13/15/58/400131558.db2.gz MZHUXLLEZBPJQG-UWVGGRQHSA-N 2 2 305.285 3.359 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525362 400145093 /nfs/dbraw/zinc/14/50/93/400145093.db2.gz GFMIBGJROYBAFQ-TZMCWYRMSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525362 400145098 /nfs/dbraw/zinc/14/50/98/400145098.db2.gz GFMIBGJROYBAFQ-TZMCWYRMSA-N 2 2 303.381 3.040 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000318831321 400158669 /nfs/dbraw/zinc/15/86/69/400158669.db2.gz BGSWVQGBNVNXBE-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000318831321 400158674 /nfs/dbraw/zinc/15/86/74/400158674.db2.gz BGSWVQGBNVNXBE-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000093079083 400224774 /nfs/dbraw/zinc/22/47/74/400224774.db2.gz GGXLSYVFBNEYRP-IEBWSBKVSA-N 2 2 323.440 3.016 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCC(C)(C)O)CC1 ZINC000093301619 400238036 /nfs/dbraw/zinc/23/80/36/400238036.db2.gz DRIGZLYVNSDSKF-UHFFFAOYSA-N 2 2 315.461 3.397 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)[C@H](C)C1 ZINC000092749786 400202061 /nfs/dbraw/zinc/20/20/61/400202061.db2.gz DERQHSHYAYIXDW-VYDXJSESSA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)[C@H](C)C1 ZINC000092749786 400202063 /nfs/dbraw/zinc/20/20/63/400202063.db2.gz DERQHSHYAYIXDW-VYDXJSESSA-N 2 2 323.456 3.008 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000389849788 400269095 /nfs/dbraw/zinc/26/90/95/400269095.db2.gz UJSGNVXQRUHYDR-POAQFYNOSA-N 2 2 322.452 3.273 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000389849788 400269106 /nfs/dbraw/zinc/26/91/06/400269106.db2.gz UJSGNVXQRUHYDR-POAQFYNOSA-N 2 2 322.452 3.273 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589191785 400273462 /nfs/dbraw/zinc/27/34/62/400273462.db2.gz ABUMIUIZFMHUND-UHFFFAOYSA-N 2 2 306.450 3.025 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000589191785 400273465 /nfs/dbraw/zinc/27/34/65/400273465.db2.gz ABUMIUIZFMHUND-UHFFFAOYSA-N 2 2 306.450 3.025 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1[nH]nc2ccccc21)Cc1ccccc1 ZINC000589637826 400313918 /nfs/dbraw/zinc/31/39/18/400313918.db2.gz DRBXITHBISUHAD-UHFFFAOYSA-N 2 2 308.429 3.175 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1[nH]nc2ccccc21)Cc1ccccc1 ZINC000589637826 400313922 /nfs/dbraw/zinc/31/39/22/400313922.db2.gz DRBXITHBISUHAD-UHFFFAOYSA-N 2 2 308.429 3.175 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589640986 400315508 /nfs/dbraw/zinc/31/55/08/400315508.db2.gz BAOWGAXUUHLYHY-IYBDPMFKSA-N 2 2 314.477 3.031 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589640986 400315517 /nfs/dbraw/zinc/31/55/17/400315517.db2.gz BAOWGAXUUHLYHY-IYBDPMFKSA-N 2 2 314.477 3.031 20 0 DGADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591082560 400483969 /nfs/dbraw/zinc/48/39/69/400483969.db2.gz PMUAAOHVTNDHEF-QGZVFWFLSA-N 2 2 310.376 3.408 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129109480 400523191 /nfs/dbraw/zinc/52/31/91/400523191.db2.gz ZAENXOZTHASBRG-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129109480 400523197 /nfs/dbraw/zinc/52/31/97/400523197.db2.gz ZAENXOZTHASBRG-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000591709926 400551403 /nfs/dbraw/zinc/55/14/03/400551403.db2.gz ZVLUXBMVYQJIBK-UHFFFAOYSA-N 2 2 308.429 3.304 20 0 DGADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000591709926 400551406 /nfs/dbraw/zinc/55/14/06/400551406.db2.gz ZVLUXBMVYQJIBK-UHFFFAOYSA-N 2 2 308.429 3.304 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000591868767 400568388 /nfs/dbraw/zinc/56/83/88/400568388.db2.gz DOJUIKOUOLAVAR-CQSZACIVSA-N 2 2 304.463 3.474 20 0 DGADLP CCn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000592139710 400612575 /nfs/dbraw/zinc/61/25/75/400612575.db2.gz XLTGIDAKTAEUIC-LJQANCHMSA-N 2 2 324.472 3.098 20 0 DGADLP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484903 400658164 /nfs/dbraw/zinc/65/81/64/400658164.db2.gz HMBJHTOSXWGNFH-UHFFFAOYSA-N 2 2 318.442 3.001 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000092720224 545849906 /nfs/dbraw/zinc/84/99/06/545849906.db2.gz NQWJGNLJFRXWOF-OAHLLOKOSA-N 2 2 320.234 3.313 20 0 DGADLP c1ccc(CN2CC[NH+](CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000076842199 400675583 /nfs/dbraw/zinc/67/55/83/400675583.db2.gz ZQXCVHSDBLROGP-UHFFFAOYSA-N 2 2 324.472 3.092 20 0 DGADLP CCc1ccc(-c2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000613552600 400748453 /nfs/dbraw/zinc/74/84/53/400748453.db2.gz MUVYZKGBUYKXFW-HZPDHXFCSA-N 2 2 313.470 3.024 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000603517335 400696760 /nfs/dbraw/zinc/69/67/60/400696760.db2.gz PQAWZSRGHVXFLH-OLMNPRSZSA-N 2 2 318.461 3.136 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661863 400757904 /nfs/dbraw/zinc/75/79/04/400757904.db2.gz YJPUMFPBQNSDOF-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661863 400757907 /nfs/dbraw/zinc/75/79/07/400757907.db2.gz YJPUMFPBQNSDOF-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000078338357 400790448 /nfs/dbraw/zinc/79/04/48/400790448.db2.gz JPJAWDOXJKRFBE-CJNGLKHVSA-N 2 2 302.447 3.342 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000078338357 400790452 /nfs/dbraw/zinc/79/04/52/400790452.db2.gz JPJAWDOXJKRFBE-CJNGLKHVSA-N 2 2 302.447 3.342 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000605822885 400885054 /nfs/dbraw/zinc/88/50/54/400885054.db2.gz VEUHQPBMIAVCDS-UHFFFAOYSA-N 2 2 319.412 3.172 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000172788166 400839561 /nfs/dbraw/zinc/83/95/61/400839561.db2.gz UNBBPIKZWRXTBN-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000172788166 400839566 /nfs/dbraw/zinc/83/95/66/400839566.db2.gz UNBBPIKZWRXTBN-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP Cc1cc(NC(=O)C2([NH+](C)C)CC2)ccc1Oc1cc[nH+]cc1 ZINC000614150555 400844301 /nfs/dbraw/zinc/84/43/01/400844301.db2.gz OXOIJQDAYPAOEH-UHFFFAOYSA-N 2 2 311.385 3.215 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000358146785 285982183 /nfs/dbraw/zinc/98/21/83/285982183.db2.gz CANIDOMQYHMDSS-FCEWJHQRSA-N 2 2 302.462 3.325 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614388382 400891066 /nfs/dbraw/zinc/89/10/66/400891066.db2.gz WIWFXDQYJVENRI-HOTGVXAUSA-N 2 2 312.461 3.087 20 0 DGADLP CCC[C@H](C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)OCC ZINC000629514077 400952273 /nfs/dbraw/zinc/95/22/73/400952273.db2.gz IYEGCKIDLIBRGQ-QYZOEREBSA-N 2 2 320.477 3.283 20 0 DGADLP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000080141726 400926351 /nfs/dbraw/zinc/92/63/51/400926351.db2.gz OJWVVQNFXFCPCB-HXUWFJFHSA-N 2 2 310.441 3.197 20 0 DGADLP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000080141726 400926359 /nfs/dbraw/zinc/92/63/59/400926359.db2.gz OJWVVQNFXFCPCB-HXUWFJFHSA-N 2 2 310.441 3.197 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)[nH]1 ZINC000080961076 401008106 /nfs/dbraw/zinc/00/81/06/401008106.db2.gz OXGLMHYLAKRBDT-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)[nH]1 ZINC000080961076 401008109 /nfs/dbraw/zinc/00/81/09/401008109.db2.gz OXGLMHYLAKRBDT-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288018 401011269 /nfs/dbraw/zinc/01/12/69/401011269.db2.gz OCDRBSOUTUHGBD-HZPDHXFCSA-N 2 2 321.465 3.276 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288018 401011276 /nfs/dbraw/zinc/01/12/76/401011276.db2.gz OCDRBSOUTUHGBD-HZPDHXFCSA-N 2 2 321.465 3.276 20 0 DGADLP CO[C@@H](C[N@H+](CC[NH3+])CCc1ccccc1)c1ccc(F)cc1 ZINC000629530428 400960934 /nfs/dbraw/zinc/96/09/34/400960934.db2.gz GUOQESHAWJGBBX-IBGZPJMESA-N 2 2 316.420 3.017 20 0 DGADLP CO[C@@H](C[N@@H+](CC[NH3+])CCc1ccccc1)c1ccc(F)cc1 ZINC000629530428 400960939 /nfs/dbraw/zinc/96/09/39/400960939.db2.gz GUOQESHAWJGBBX-IBGZPJMESA-N 2 2 316.420 3.017 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000629541192 400967633 /nfs/dbraw/zinc/96/76/33/400967633.db2.gz WWXVINFGMDCAGR-WCQYABFASA-N 2 2 301.356 3.050 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000629541192 400967638 /nfs/dbraw/zinc/96/76/38/400967638.db2.gz WWXVINFGMDCAGR-WCQYABFASA-N 2 2 301.356 3.050 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629561270 400974531 /nfs/dbraw/zinc/97/45/31/400974531.db2.gz HJFNDOGBKMUQKZ-WDEREUQCSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629561270 400974534 /nfs/dbraw/zinc/97/45/34/400974534.db2.gz HJFNDOGBKMUQKZ-WDEREUQCSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561723 400977737 /nfs/dbraw/zinc/97/77/37/400977737.db2.gz YLJIZRVILIOATP-ZYHUDNBSSA-N 2 2 322.758 3.005 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561723 400977743 /nfs/dbraw/zinc/97/77/43/400977743.db2.gz YLJIZRVILIOATP-ZYHUDNBSSA-N 2 2 322.758 3.005 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564845 400980355 /nfs/dbraw/zinc/98/03/55/400980355.db2.gz UYMDBKACKBOQIK-MXWKQRLJSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564845 400980359 /nfs/dbraw/zinc/98/03/59/400980359.db2.gz UYMDBKACKBOQIK-MXWKQRLJSA-N 2 2 322.321 3.485 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212482 401060408 /nfs/dbraw/zinc/06/04/08/401060408.db2.gz QFPLACLFQRZYNS-AWEZNQCLSA-N 2 2 308.853 3.209 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212482 401060411 /nfs/dbraw/zinc/06/04/11/401060411.db2.gz QFPLACLFQRZYNS-AWEZNQCLSA-N 2 2 308.853 3.209 20 0 DGADLP c1cn(Cc2ccc(-c3cccc([C@@H]4C[NH2+]CCO4)c3)cc2)c[nH+]1 ZINC000629742677 401073347 /nfs/dbraw/zinc/07/33/47/401073347.db2.gz UPBSMCZLWFKTKG-FQEVSTJZSA-N 2 2 319.408 3.259 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567981 401079266 /nfs/dbraw/zinc/07/92/66/401079266.db2.gz IVXSWGFXDHVOLT-ZDUSSCGKSA-N 2 2 324.852 3.232 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567981 401079274 /nfs/dbraw/zinc/07/92/74/401079274.db2.gz IVXSWGFXDHVOLT-ZDUSSCGKSA-N 2 2 324.852 3.232 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567981 401079279 /nfs/dbraw/zinc/07/92/79/401079279.db2.gz IVXSWGFXDHVOLT-ZDUSSCGKSA-N 2 2 324.852 3.232 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567981 401079285 /nfs/dbraw/zinc/07/92/85/401079285.db2.gz IVXSWGFXDHVOLT-ZDUSSCGKSA-N 2 2 324.852 3.232 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1F ZINC000629657433 401022563 /nfs/dbraw/zinc/02/25/63/401022563.db2.gz XTAYWOWZQMXNME-OLZOCXBDSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1F ZINC000629657433 401022569 /nfs/dbraw/zinc/02/25/69/401022569.db2.gz XTAYWOWZQMXNME-OLZOCXBDSA-N 2 2 304.331 3.093 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cscc2Cl)CC[C@H]1C(F)(F)F ZINC000629657410 401022606 /nfs/dbraw/zinc/02/26/06/401022606.db2.gz XNFIPSFEGGGEES-WCBMZHEXSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cscc2Cl)CC[C@H]1C(F)(F)F ZINC000629657410 401022613 /nfs/dbraw/zinc/02/26/13/401022613.db2.gz XNFIPSFEGGGEES-WCBMZHEXSA-N 2 2 312.788 3.361 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000599427734 401046660 /nfs/dbraw/zinc/04/66/60/401046660.db2.gz UFICUPFQWOBEMR-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000599427734 401046666 /nfs/dbraw/zinc/04/66/66/401046666.db2.gz UFICUPFQWOBEMR-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000599427734 401046670 /nfs/dbraw/zinc/04/66/70/401046670.db2.gz UFICUPFQWOBEMR-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000599427734 401046678 /nfs/dbraw/zinc/04/66/78/401046678.db2.gz UFICUPFQWOBEMR-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000599427735 401047517 /nfs/dbraw/zinc/04/75/17/401047517.db2.gz UFICUPFQWOBEMR-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000599427735 401047519 /nfs/dbraw/zinc/04/75/19/401047519.db2.gz UFICUPFQWOBEMR-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000599427735 401047526 /nfs/dbraw/zinc/04/75/26/401047526.db2.gz UFICUPFQWOBEMR-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000599427735 401047530 /nfs/dbraw/zinc/04/75/30/401047530.db2.gz UFICUPFQWOBEMR-QFBILLFUSA-N 2 2 324.509 3.161 20 0 DGADLP CCCc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000620439884 401094998 /nfs/dbraw/zinc/09/49/98/401094998.db2.gz YRPZRQAENCRLPF-IBGZPJMESA-N 2 2 304.478 3.086 20 0 DGADLP CCCc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000620439884 401095001 /nfs/dbraw/zinc/09/50/01/401095001.db2.gz YRPZRQAENCRLPF-IBGZPJMESA-N 2 2 304.478 3.086 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)nnn1-c1ccccc1 ZINC000358231564 286005101 /nfs/dbraw/zinc/00/51/01/286005101.db2.gz TZXKCJHZGNJLCK-HNNXBMFYSA-N 2 2 321.428 3.172 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239360 286008043 /nfs/dbraw/zinc/00/80/43/286008043.db2.gz ORIHMGBVOXEVFO-YCPHGPKFSA-N 2 2 305.466 3.077 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239360 286008044 /nfs/dbraw/zinc/00/80/44/286008044.db2.gz ORIHMGBVOXEVFO-YCPHGPKFSA-N 2 2 305.466 3.077 20 0 DGADLP CCOc1cncc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)c1 ZINC000621326165 401165792 /nfs/dbraw/zinc/16/57/92/401165792.db2.gz ZYKAZVDIBZRLKX-UHFFFAOYSA-N 2 2 324.428 3.318 20 0 DGADLP Cc1cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000608092935 401186237 /nfs/dbraw/zinc/18/62/37/401186237.db2.gz XTUZBAAJKFCQKQ-GOSISDBHSA-N 2 2 322.456 3.373 20 0 DGADLP Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000608092935 401186242 /nfs/dbraw/zinc/18/62/42/401186242.db2.gz XTUZBAAJKFCQKQ-GOSISDBHSA-N 2 2 322.456 3.373 20 0 DGADLP Cc1ccc(CSCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594916595 401187295 /nfs/dbraw/zinc/18/72/95/401187295.db2.gz HFLGWCXVWSPRIA-UHFFFAOYSA-N 2 2 301.459 3.161 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177436 401262974 /nfs/dbraw/zinc/26/29/74/401262974.db2.gz LEWRBCPKXNBZGV-UHIISALHSA-N 2 2 316.367 3.245 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177436 401262977 /nfs/dbraw/zinc/26/29/77/401262977.db2.gz LEWRBCPKXNBZGV-UHIISALHSA-N 2 2 316.367 3.245 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177434 401263255 /nfs/dbraw/zinc/26/32/55/401263255.db2.gz LEWRBCPKXNBZGV-SUNKGSAMSA-N 2 2 316.367 3.245 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177434 401263259 /nfs/dbraw/zinc/26/32/59/401263259.db2.gz LEWRBCPKXNBZGV-SUNKGSAMSA-N 2 2 316.367 3.245 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000625960442 401265672 /nfs/dbraw/zinc/26/56/72/401265672.db2.gz BCGACXUQNBBDHD-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089603480 401230111 /nfs/dbraw/zinc/23/01/11/401230111.db2.gz IECVODBIDKLKPZ-QGZVFWFLSA-N 2 2 311.429 3.208 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C)ncn2)cc1 ZINC000358346633 286037925 /nfs/dbraw/zinc/03/79/25/286037925.db2.gz AHMWHQCLCXJJKU-CQSZACIVSA-N 2 2 307.401 3.130 20 0 DGADLP COC[C@@H](C)[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000626134909 401310158 /nfs/dbraw/zinc/31/01/58/401310158.db2.gz QAKYSFUWTDOTAA-APWZRJJASA-N 2 2 313.445 3.298 20 0 DGADLP COC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000626134909 401310160 /nfs/dbraw/zinc/31/01/60/401310160.db2.gz QAKYSFUWTDOTAA-APWZRJJASA-N 2 2 313.445 3.298 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678351 401331295 /nfs/dbraw/zinc/33/12/95/401331295.db2.gz QDOAQQFPSBMCRF-MSOLQXFVSA-N 2 2 304.478 3.399 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000634678537 401331528 /nfs/dbraw/zinc/33/15/28/401331528.db2.gz XLQQCEDOQZWDSE-QZTJIDSGSA-N 2 2 302.462 3.371 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000634678538 401331789 /nfs/dbraw/zinc/33/17/89/401331789.db2.gz XLQQCEDOQZWDSE-ROUUACIJSA-N 2 2 302.462 3.371 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004179 401335420 /nfs/dbraw/zinc/33/54/20/401335420.db2.gz LPNDIPYFRAIXGG-QUCCMNQESA-N 2 2 323.440 3.070 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004179 401335421 /nfs/dbraw/zinc/33/54/21/401335421.db2.gz LPNDIPYFRAIXGG-QUCCMNQESA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780110 401299456 /nfs/dbraw/zinc/29/94/56/401299456.db2.gz NNMKEVKWBBWLOK-SUMWQHHRSA-N 2 2 317.820 3.308 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780110 401299458 /nfs/dbraw/zinc/29/94/58/401299458.db2.gz NNMKEVKWBBWLOK-SUMWQHHRSA-N 2 2 317.820 3.308 20 0 DGADLP Cc1cc(NC2CC[NH+](CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000622260612 401372714 /nfs/dbraw/zinc/37/27/14/401372714.db2.gz BKCRJHJSOSUDLL-UHFFFAOYSA-N 2 2 305.372 3.107 20 0 DGADLP C[C@H]([NH2+]Cc1ccc2nccnc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000634975844 401393834 /nfs/dbraw/zinc/39/38/34/401393834.db2.gz ITAXKKHFLRBCON-MGPUTAFESA-N 2 2 320.440 3.411 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000631448868 401472881 /nfs/dbraw/zinc/47/28/81/401472881.db2.gz PVSLLAPRLYPFPD-UHFFFAOYSA-N 2 2 310.445 3.475 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631195243 401422911 /nfs/dbraw/zinc/42/29/11/401422911.db2.gz UYKSCQSAXXFWOK-PBHICJAKSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631195243 401422914 /nfs/dbraw/zinc/42/29/14/401422914.db2.gz UYKSCQSAXXFWOK-PBHICJAKSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631195244 401422928 /nfs/dbraw/zinc/42/29/28/401422928.db2.gz UYKSCQSAXXFWOK-RHSMWYFYSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631195244 401422932 /nfs/dbraw/zinc/42/29/32/401422932.db2.gz UYKSCQSAXXFWOK-RHSMWYFYSA-N 2 2 315.486 3.309 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1F ZINC000631194781 401423056 /nfs/dbraw/zinc/42/30/56/401423056.db2.gz PNMNWUAEUOLAID-CRAIPNDOSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1F ZINC000631194781 401423058 /nfs/dbraw/zinc/42/30/58/401423058.db2.gz PNMNWUAEUOLAID-CRAIPNDOSA-N 2 2 313.420 3.078 20 0 DGADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000635552665 401453678 /nfs/dbraw/zinc/45/36/78/401453678.db2.gz UADHHRVAXALZTB-AWEZNQCLSA-N 2 2 311.385 3.154 20 0 DGADLP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000635552665 401453681 /nfs/dbraw/zinc/45/36/81/401453681.db2.gz UADHHRVAXALZTB-AWEZNQCLSA-N 2 2 311.385 3.154 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cccc3cccnc32)CC1 ZINC000623088932 401463080 /nfs/dbraw/zinc/46/30/80/401463080.db2.gz MFGVBBIJAUTRDH-UHFFFAOYSA-N 2 2 319.399 3.302 20 0 DGADLP Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1F ZINC000623088736 401463154 /nfs/dbraw/zinc/46/31/54/401463154.db2.gz BFADPIHIBLNTKG-UHFFFAOYSA-N 2 2 300.368 3.201 20 0 DGADLP Fc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000623088382 401463188 /nfs/dbraw/zinc/46/31/88/401463188.db2.gz JMEDBMPCSCKHCU-UHFFFAOYSA-N 2 2 304.331 3.032 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000623089406 401463677 /nfs/dbraw/zinc/46/36/77/401463677.db2.gz GHDOFKZQWIWDNB-IRXDYDNUSA-N 2 2 308.416 3.357 20 0 DGADLP Cc1cc(F)c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000623089728 401463806 /nfs/dbraw/zinc/46/38/06/401463806.db2.gz VTPHBRMEAVIRDL-UHFFFAOYSA-N 2 2 318.358 3.340 20 0 DGADLP C[NH+](C)CC1([NH2+]CCc2cccc(C(F)(F)F)c2)CCC1 ZINC000628260116 401562709 /nfs/dbraw/zinc/56/27/09/401562709.db2.gz VLKVIFIPSLUQKH-UHFFFAOYSA-N 2 2 300.368 3.322 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656180 401563370 /nfs/dbraw/zinc/56/33/70/401563370.db2.gz OQHHRDKVAQPYLS-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656180 401563372 /nfs/dbraw/zinc/56/33/72/401563372.db2.gz OQHHRDKVAQPYLS-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623561500 401547111 /nfs/dbraw/zinc/54/71/11/401547111.db2.gz PBKUMSDZDRBKBR-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623561500 401547112 /nfs/dbraw/zinc/54/71/12/401547112.db2.gz PBKUMSDZDRBKBR-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000631748653 401549361 /nfs/dbraw/zinc/54/93/61/401549361.db2.gz IJGKKEZPJMAVLL-YLJYHZDGSA-N 2 2 316.489 3.364 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000631748653 401549362 /nfs/dbraw/zinc/54/93/62/401549362.db2.gz IJGKKEZPJMAVLL-YLJYHZDGSA-N 2 2 316.489 3.364 20 0 DGADLP c1nc(C2CC2)oc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000628210435 401551092 /nfs/dbraw/zinc/55/10/92/401551092.db2.gz XFEZUPARRCUTLI-UHFFFAOYSA-N 2 2 303.450 3.296 20 0 DGADLP c1ccc2nc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cnc2c1 ZINC000628227671 401553889 /nfs/dbraw/zinc/55/38/89/401553889.db2.gz OBYXFXYNASBKKH-UHFFFAOYSA-N 2 2 310.445 3.126 20 0 DGADLP CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624109034 401627152 /nfs/dbraw/zinc/62/71/52/401627152.db2.gz LIRRLXHYUWGZOT-RDJZCZTQSA-N 2 2 301.434 3.320 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000624256343 401644171 /nfs/dbraw/zinc/64/41/71/401644171.db2.gz NWUZRWWQOOIBQA-QGZVFWFLSA-N 2 2 302.462 3.324 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000624256224 401644211 /nfs/dbraw/zinc/64/42/11/401644211.db2.gz HIJSEMONUHJZBP-LJQANCHMSA-N 2 2 314.473 3.251 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCOc3cc(F)ccc3C2)c[nH+]1 ZINC000628495466 401608547 /nfs/dbraw/zinc/60/85/47/401608547.db2.gz RGUGJTZSJHKZQL-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCOc3cc(F)ccc3C2)c[nH+]1 ZINC000628495466 401608549 /nfs/dbraw/zinc/60/85/49/401608549.db2.gz RGUGJTZSJHKZQL-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cc(C)ccc1C ZINC000623991399 401610135 /nfs/dbraw/zinc/61/01/35/401610135.db2.gz GTECFNNJFNPEON-MJGOQNOKSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cc(C)ccc1C ZINC000623991399 401610137 /nfs/dbraw/zinc/61/01/37/401610137.db2.gz GTECFNNJFNPEON-MJGOQNOKSA-N 2 2 304.478 3.191 20 0 DGADLP CCCCn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000358498636 286078508 /nfs/dbraw/zinc/07/85/08/286078508.db2.gz DEKHDHVZAALWPM-UHFFFAOYSA-N 2 2 323.444 3.467 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624333801 401652771 /nfs/dbraw/zinc/65/27/71/401652771.db2.gz XDLKBPQGSZUAHF-YOEHRIQHSA-N 2 2 316.470 3.132 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624333801 401652774 /nfs/dbraw/zinc/65/27/74/401652774.db2.gz XDLKBPQGSZUAHF-YOEHRIQHSA-N 2 2 316.470 3.132 20 0 DGADLP Oc1cccc2c(NC[C@@H]3CCC[N@@H+]3CC(F)F)cc[nH+]c12 ZINC000624519345 401667422 /nfs/dbraw/zinc/66/74/22/401667422.db2.gz DEJOPYUYLRSKBK-NSHDSACASA-N 2 2 307.344 3.082 20 0 DGADLP Oc1cccc2c(NC[C@@H]3CCC[N@H+]3CC(F)F)cc[nH+]c12 ZINC000624519345 401667423 /nfs/dbraw/zinc/66/74/23/401667423.db2.gz DEJOPYUYLRSKBK-NSHDSACASA-N 2 2 307.344 3.082 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2nnc(C)s2)CC1)CC1CC1 ZINC000358735459 286136812 /nfs/dbraw/zinc/13/68/12/286136812.db2.gz HNFGNAFPNQVKIC-UHFFFAOYSA-N 2 2 322.522 3.181 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C)s2)CC1)CC1CC1 ZINC000358735459 286136813 /nfs/dbraw/zinc/13/68/13/286136813.db2.gz HNFGNAFPNQVKIC-UHFFFAOYSA-N 2 2 322.522 3.181 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000358836873 286165321 /nfs/dbraw/zinc/16/53/21/286165321.db2.gz WKIRMQYPCJMJJF-KDOFPFPSSA-N 2 2 305.441 3.353 20 0 DGADLP CCn1c2ccccc2[nH+]c1NCc1c[nH+]c2cccc(C)n12 ZINC000359066554 286228424 /nfs/dbraw/zinc/22/84/24/286228424.db2.gz ZQXNVOFUANUGFE-UHFFFAOYSA-N 2 2 305.385 3.046 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000271704873 286225380 /nfs/dbraw/zinc/22/53/80/286225380.db2.gz NGOSQJLLRDLARW-ZIAGYGMSSA-N 2 2 324.440 3.368 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000271704873 286225381 /nfs/dbraw/zinc/22/53/81/286225381.db2.gz NGOSQJLLRDLARW-ZIAGYGMSSA-N 2 2 324.440 3.368 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000359368789 286293988 /nfs/dbraw/zinc/29/39/88/286293988.db2.gz FSUKKZIUQOQMCX-LJQANCHMSA-N 2 2 320.477 3.094 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000359368789 286293989 /nfs/dbraw/zinc/29/39/89/286293989.db2.gz FSUKKZIUQOQMCX-LJQANCHMSA-N 2 2 320.477 3.094 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847280 292260171 /nfs/dbraw/zinc/26/01/71/292260171.db2.gz KIFCZONZJCJBQV-WOJBJXKFSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847280 292260176 /nfs/dbraw/zinc/26/01/76/292260176.db2.gz KIFCZONZJCJBQV-WOJBJXKFSA-N 2 2 315.505 3.062 20 0 DGADLP COCC1CCC([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295512204 292266148 /nfs/dbraw/zinc/26/61/48/292266148.db2.gz VAIMNRFZNMKQHA-JVGQSUMCSA-N 2 2 304.478 3.473 20 0 DGADLP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000359589594 286342549 /nfs/dbraw/zinc/34/25/49/286342549.db2.gz NBIVJYJKBIYDKV-NRFANRHFSA-N 2 2 321.468 3.193 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)[C@@H](C)C1 ZINC000359622645 286349161 /nfs/dbraw/zinc/34/91/61/286349161.db2.gz SMOOPCYGNLVVIO-URLQWDBASA-N 2 2 318.461 3.085 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)[C@@H](C)C1 ZINC000359622645 286349162 /nfs/dbraw/zinc/34/91/62/286349162.db2.gz SMOOPCYGNLVVIO-URLQWDBASA-N 2 2 318.461 3.085 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](COC)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000359662761 286356378 /nfs/dbraw/zinc/35/63/78/286356378.db2.gz KWMNFNOWGUSAGH-OALUTQOASA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](COC)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000359662761 286356379 /nfs/dbraw/zinc/35/63/79/286356379.db2.gz KWMNFNOWGUSAGH-OALUTQOASA-N 2 2 304.478 3.084 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000268743237 286376182 /nfs/dbraw/zinc/37/61/82/286376182.db2.gz GTGLQBXILRKZHR-MJXNMMHHSA-N 2 2 300.446 3.219 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000268743237 286376183 /nfs/dbraw/zinc/37/61/83/286376183.db2.gz GTGLQBXILRKZHR-MJXNMMHHSA-N 2 2 300.446 3.219 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](Cc2ccccn2)c2ccccc2)C1 ZINC000359969313 286399041 /nfs/dbraw/zinc/39/90/41/286399041.db2.gz HAZQNZQUYFMJRD-FFZOFVMBSA-N 2 2 309.457 3.295 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](Cc2ccccn2)c2ccccc2)C1 ZINC000359969313 286399042 /nfs/dbraw/zinc/39/90/42/286399042.db2.gz HAZQNZQUYFMJRD-FFZOFVMBSA-N 2 2 309.457 3.295 20 0 DGADLP CC(C)(C[NH2+]Cc1cnc([C@@H]2CCCO2)s1)C[NH+]1CCCC1 ZINC000360153619 286432750 /nfs/dbraw/zinc/43/27/50/286432750.db2.gz JYGWNIXGZNHEGL-HNNXBMFYSA-N 2 2 323.506 3.206 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000360883691 286547988 /nfs/dbraw/zinc/54/79/88/286547988.db2.gz KVSNXZLSACQVBY-TZMCWYRMSA-N 2 2 323.362 3.438 20 0 DGADLP CC(C)=CCC[C@@H](C)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360960044 286562739 /nfs/dbraw/zinc/56/27/39/286562739.db2.gz XVSDZQHHVSKAPO-QGZVFWFLSA-N 2 2 304.482 3.300 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000361009124 286575844 /nfs/dbraw/zinc/57/58/44/286575844.db2.gz OUNCQIIACMUGRK-LSDHHAIUSA-N 2 2 324.852 3.089 20 0 DGADLP Oc1cccc2c1CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000361095352 286597039 /nfs/dbraw/zinc/59/70/39/286597039.db2.gz JGWZXTMAXPJYJY-QGZVFWFLSA-N 2 2 311.429 3.135 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000361877532 286737898 /nfs/dbraw/zinc/73/78/98/286737898.db2.gz ONVUQEMKKNNIDF-LPHOPBHVSA-N 2 2 304.478 3.258 20 0 DGADLP c1cn2c(cccc2C[NH2+]Cc2ncoc2-c2ccccc2)[nH+]1 ZINC000362654449 286845593 /nfs/dbraw/zinc/84/55/93/286845593.db2.gz LDVLSDXJLSSBNI-UHFFFAOYSA-N 2 2 304.353 3.279 20 0 DGADLP Fc1cc(Cl)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000364450801 287028532 /nfs/dbraw/zinc/02/85/32/287028532.db2.gz UGPUFWPOPMHXOM-UHFFFAOYSA-N 2 2 316.767 3.350 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1csc(Cl)c1 ZINC000191299737 287035422 /nfs/dbraw/zinc/03/54/22/287035422.db2.gz FWKPWCIQODJNHL-NWDGAFQWSA-N 2 2 302.871 3.020 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCSCC1 ZINC000187027278 165073453 /nfs/dbraw/zinc/07/34/53/165073453.db2.gz LBHZAJMFTRHJCQ-HNNXBMFYSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000189140011 165150263 /nfs/dbraw/zinc/15/02/63/165150263.db2.gz AIWALNVSTDHFGR-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000189140011 165150266 /nfs/dbraw/zinc/15/02/66/165150266.db2.gz AIWALNVSTDHFGR-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000189309391 165157582 /nfs/dbraw/zinc/15/75/82/165157582.db2.gz VAEDETPVHQOQIP-NVXWUHKLSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000189309391 165157586 /nfs/dbraw/zinc/15/75/86/165157586.db2.gz VAEDETPVHQOQIP-NVXWUHKLSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000189309391 165157589 /nfs/dbraw/zinc/15/75/89/165157589.db2.gz VAEDETPVHQOQIP-NVXWUHKLSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189309391 165157592 /nfs/dbraw/zinc/15/75/92/165157592.db2.gz VAEDETPVHQOQIP-NVXWUHKLSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@@H+]1C1CC1 ZINC000191301295 165242400 /nfs/dbraw/zinc/24/24/00/165242400.db2.gz GQJKCFQQMSKCCT-RHSMWYFYSA-N 2 2 300.446 3.190 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@H+]1C1CC1 ZINC000191301295 165242404 /nfs/dbraw/zinc/24/24/04/165242404.db2.gz GQJKCFQQMSKCCT-RHSMWYFYSA-N 2 2 300.446 3.190 20 0 DGADLP CCN(C)c1ccc(CNc2c[nH+]ccc2-n2cc(C)cn2)c[nH+]1 ZINC000191477061 165253239 /nfs/dbraw/zinc/25/32/39/165253239.db2.gz HBQGICXTPOUGBQ-UHFFFAOYSA-N 2 2 322.416 3.039 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCC1CCOCC1 ZINC000192069103 165280008 /nfs/dbraw/zinc/28/00/08/165280008.db2.gz ZRFKINLGNQUIRT-UHFFFAOYSA-N 2 2 313.445 3.429 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCC1CCOCC1 ZINC000192069103 165280012 /nfs/dbraw/zinc/28/00/12/165280012.db2.gz ZRFKINLGNQUIRT-UHFFFAOYSA-N 2 2 313.445 3.429 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000365255454 287114543 /nfs/dbraw/zinc/11/45/43/287114543.db2.gz KFGJVUXCWLJJQY-UHFFFAOYSA-N 3 2 324.472 3.241 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000365255454 287114546 /nfs/dbraw/zinc/11/45/46/287114546.db2.gz KFGJVUXCWLJJQY-UHFFFAOYSA-N 3 2 324.472 3.241 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000365631134 287156158 /nfs/dbraw/zinc/15/61/58/287156158.db2.gz PVHVANARWUOMJX-CQSZACIVSA-N 2 2 319.836 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000365631134 287156161 /nfs/dbraw/zinc/15/61/61/287156161.db2.gz PVHVANARWUOMJX-CQSZACIVSA-N 2 2 319.836 3.332 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)CC2CC[NH+](C)CC2)[nH+]1 ZINC000365997514 287197307 /nfs/dbraw/zinc/19/73/07/287197307.db2.gz INPLZNKTGAJQOG-UHFFFAOYSA-N 2 2 312.417 3.056 20 0 DGADLP CS[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000129328977 196040019 /nfs/dbraw/zinc/04/00/19/196040019.db2.gz YGORDYSQGNGKST-CVEARBPZSA-N 2 2 305.491 3.314 20 0 DGADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000181925889 432150543 /nfs/dbraw/zinc/15/05/43/432150543.db2.gz OHSZFKXSXAUQCF-KRWDZBQOSA-N 2 2 304.409 3.256 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672293 432153788 /nfs/dbraw/zinc/15/37/88/432153788.db2.gz UITCZAONLHORDD-ICSRJNTNSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672293 432153791 /nfs/dbraw/zinc/15/37/91/432153791.db2.gz UITCZAONLHORDD-ICSRJNTNSA-N 2 2 316.489 3.052 20 0 DGADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182090138 432157800 /nfs/dbraw/zinc/15/78/00/432157800.db2.gz XRJOHTGXDRHCBS-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182090138 432157805 /nfs/dbraw/zinc/15/78/05/432157805.db2.gz XRJOHTGXDRHCBS-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000182092573 432157932 /nfs/dbraw/zinc/15/79/32/432157932.db2.gz HCFHBAHPZSCZCI-GFCCVEGCSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000182092573 432157936 /nfs/dbraw/zinc/15/79/36/432157936.db2.gz HCFHBAHPZSCZCI-GFCCVEGCSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000182092720 432158797 /nfs/dbraw/zinc/15/87/97/432158797.db2.gz PWVAWPHBTBQUSM-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000182092720 432158798 /nfs/dbraw/zinc/15/87/98/432158798.db2.gz PWVAWPHBTBQUSM-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@@H](C)C1 ZINC000246851367 432171985 /nfs/dbraw/zinc/17/19/85/432171985.db2.gz FAGNUHIPZCZXTO-GXTWGEPZSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@@H](C)C1 ZINC000246851367 432171989 /nfs/dbraw/zinc/17/19/89/432171989.db2.gz FAGNUHIPZCZXTO-GXTWGEPZSA-N 2 2 305.447 3.223 20 0 DGADLP C[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129558169 196058163 /nfs/dbraw/zinc/05/81/63/196058163.db2.gz FYASEDDCIVJKKG-DYVFJYSZSA-N 2 2 305.372 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129558169 196058164 /nfs/dbraw/zinc/05/81/64/196058164.db2.gz FYASEDDCIVJKKG-DYVFJYSZSA-N 2 2 305.372 3.287 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)[C@@H](C)C1 ZINC000246910885 432179494 /nfs/dbraw/zinc/17/94/94/432179494.db2.gz FWWNZFSGDPZALI-RYQLBKOJSA-N 2 2 319.493 3.045 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)[C@@H](C)C1 ZINC000246910885 432179498 /nfs/dbraw/zinc/17/94/98/432179498.db2.gz FWWNZFSGDPZALI-RYQLBKOJSA-N 2 2 319.493 3.045 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000246994743 432188449 /nfs/dbraw/zinc/18/84/49/432188449.db2.gz WQQUQHLASLAMHZ-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000246994743 432188454 /nfs/dbraw/zinc/18/84/54/432188454.db2.gz WQQUQHLASLAMHZ-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000246994743 432188457 /nfs/dbraw/zinc/18/84/57/432188457.db2.gz WQQUQHLASLAMHZ-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000246994743 432188462 /nfs/dbraw/zinc/18/84/62/432188462.db2.gz WQQUQHLASLAMHZ-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247021445 432191551 /nfs/dbraw/zinc/19/15/51/432191551.db2.gz DIIFSDXKADHBON-RHSMWYFYSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247021445 432191556 /nfs/dbraw/zinc/19/15/56/432191556.db2.gz DIIFSDXKADHBON-RHSMWYFYSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246935785 432182661 /nfs/dbraw/zinc/18/26/61/432182661.db2.gz GSRKUNZAMVCKPF-KFKAGJAMSA-N 2 2 313.445 3.464 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)Cn2cccn2)[NH+]2CCCC2)cc1 ZINC000138265168 432183135 /nfs/dbraw/zinc/18/31/35/432183135.db2.gz NMJQCJXQLNQKRS-HKUYNNGSSA-N 2 2 312.461 3.007 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC[N@@H+]1C ZINC000247085873 432199689 /nfs/dbraw/zinc/19/96/89/432199689.db2.gz RGWIQZCSVHZQDM-BRWVUGGUSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000247085873 432199691 /nfs/dbraw/zinc/19/96/91/432199691.db2.gz RGWIQZCSVHZQDM-BRWVUGGUSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085873 432199692 /nfs/dbraw/zinc/19/96/92/432199692.db2.gz RGWIQZCSVHZQDM-BRWVUGGUSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085873 432199694 /nfs/dbraw/zinc/19/96/94/432199694.db2.gz RGWIQZCSVHZQDM-BRWVUGGUSA-N 3 2 321.534 3.032 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000247040357 432195356 /nfs/dbraw/zinc/19/53/56/432195356.db2.gz MSWVHYRHKAVADM-BHYGNILZSA-N 2 2 309.523 3.203 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000247040357 432195361 /nfs/dbraw/zinc/19/53/61/432195361.db2.gz MSWVHYRHKAVADM-BHYGNILZSA-N 2 2 309.523 3.203 20 0 DGADLP c1cn(CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c[nH+]1 ZINC000131082800 196139043 /nfs/dbraw/zinc/13/90/43/196139043.db2.gz WVXODLXTMOKTGK-MRXNPFEDSA-N 2 2 323.400 3.160 20 0 DGADLP c1cn(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c[nH+]1 ZINC000131082800 196139045 /nfs/dbraw/zinc/13/90/45/196139045.db2.gz WVXODLXTMOKTGK-MRXNPFEDSA-N 2 2 323.400 3.160 20 0 DGADLP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247170354 432209844 /nfs/dbraw/zinc/20/98/44/432209844.db2.gz SMPXVHCSXNFUKZ-GDBMZVCRSA-N 2 2 307.507 3.023 20 0 DGADLP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247170354 432209846 /nfs/dbraw/zinc/20/98/46/432209846.db2.gz SMPXVHCSXNFUKZ-GDBMZVCRSA-N 2 2 307.507 3.023 20 0 DGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000269850795 432215392 /nfs/dbraw/zinc/21/53/92/432215392.db2.gz XVJIGNDRHGJTTH-KRWDZBQOSA-N 2 2 322.836 3.002 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000247113306 432203876 /nfs/dbraw/zinc/20/38/76/432203876.db2.gz JBUNXLUNLXAFID-ZIAGYGMSSA-N 2 2 317.437 3.350 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000247113306 432203880 /nfs/dbraw/zinc/20/38/80/432203880.db2.gz JBUNXLUNLXAFID-ZIAGYGMSSA-N 2 2 317.437 3.350 20 0 DGADLP Fc1cccc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000182685496 432217270 /nfs/dbraw/zinc/21/72/70/432217270.db2.gz NHMFQGCEBUDTGG-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692276 432218933 /nfs/dbraw/zinc/21/89/33/432218933.db2.gz ASKMXHGOROODBB-LSDHHAIUSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692276 432218934 /nfs/dbraw/zinc/21/89/34/432218934.db2.gz ASKMXHGOROODBB-LSDHHAIUSA-N 2 2 318.490 3.044 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000134133727 196364067 /nfs/dbraw/zinc/36/40/67/196364067.db2.gz PYHZIOIRKVWJED-GOEBONIOSA-N 2 2 318.490 3.452 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422880990 287276771 /nfs/dbraw/zinc/27/67/71/287276771.db2.gz MURKIPRRVAWYRN-MNEFBYGVSA-N 3 2 301.478 3.030 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422880990 287276773 /nfs/dbraw/zinc/27/67/73/287276773.db2.gz MURKIPRRVAWYRN-MNEFBYGVSA-N 3 2 301.478 3.030 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000154708366 227102796 /nfs/dbraw/zinc/10/27/96/227102796.db2.gz SBPSTSKYGDJHRP-MRXNPFEDSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000154708366 227102801 /nfs/dbraw/zinc/10/28/01/227102801.db2.gz SBPSTSKYGDJHRP-MRXNPFEDSA-N 2 2 307.507 3.395 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290898491 222004200 /nfs/dbraw/zinc/00/42/00/222004200.db2.gz NSHDLTAOLQWXSQ-VXGBXAGGSA-N 2 2 302.249 3.351 20 0 DGADLP CS[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000346323451 264010473 /nfs/dbraw/zinc/01/04/73/264010473.db2.gz ISIHNEDXCGHTNR-KRWDZBQOSA-N 2 2 321.534 3.413 20 0 DGADLP C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346334914 264012569 /nfs/dbraw/zinc/01/25/69/264012569.db2.gz OZHFUSRPULLOFT-HNNXBMFYSA-N 2 2 317.396 3.371 20 0 DGADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000346371875 264019722 /nfs/dbraw/zinc/01/97/22/264019722.db2.gz LVPKPVRZMNCFAB-HBFSDRIKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000346371875 264019723 /nfs/dbraw/zinc/01/97/23/264019723.db2.gz LVPKPVRZMNCFAB-HBFSDRIKSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000346568584 264056414 /nfs/dbraw/zinc/05/64/14/264056414.db2.gz UOABYDMOQFVNAN-SFHVURJKSA-N 2 2 310.376 3.105 20 0 DGADLP COC[C@H]([NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582094 264058530 /nfs/dbraw/zinc/05/85/30/264058530.db2.gz VXRGJDMCZVYSDH-OALUTQOASA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H]([NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582094 264058533 /nfs/dbraw/zinc/05/85/33/264058533.db2.gz VXRGJDMCZVYSDH-OALUTQOASA-N 2 2 304.478 3.158 20 0 DGADLP Cc1cc(N2CC[NH+](CCc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000346654502 264074004 /nfs/dbraw/zinc/07/40/04/264074004.db2.gz MFXMRXXWEBOART-UHFFFAOYSA-N 2 2 322.456 3.027 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346693894 264081545 /nfs/dbraw/zinc/08/15/45/264081545.db2.gz QKPOBHSNMFCPFS-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346693894 264081546 /nfs/dbraw/zinc/08/15/46/264081546.db2.gz QKPOBHSNMFCPFS-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697853 264082289 /nfs/dbraw/zinc/08/22/89/264082289.db2.gz HJXPDPSZWFDZQG-ISARSNTHSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697853 264082290 /nfs/dbraw/zinc/08/22/90/264082290.db2.gz HJXPDPSZWFDZQG-ISARSNTHSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000346801782 264100588 /nfs/dbraw/zinc/10/05/88/264100588.db2.gz CKOHQQKFYBZVRW-KBAYOESNSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000346801782 264100591 /nfs/dbraw/zinc/10/05/91/264100591.db2.gz CKOHQQKFYBZVRW-KBAYOESNSA-N 2 2 319.518 3.167 20 0 DGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccc(OCC(F)F)cc1 ZINC000346816784 264103260 /nfs/dbraw/zinc/10/32/60/264103260.db2.gz FKJYXBUXSVYSGK-UHFFFAOYSA-N 2 2 320.383 3.291 20 0 DGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC(F)F)cc1 ZINC000346816784 264103263 /nfs/dbraw/zinc/10/32/63/264103263.db2.gz FKJYXBUXSVYSGK-UHFFFAOYSA-N 2 2 320.383 3.291 20 0 DGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000347000537 264136833 /nfs/dbraw/zinc/13/68/33/264136833.db2.gz GKYHPPBURWCZFA-VIFPVBQESA-N 2 2 307.385 3.079 20 0 DGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000347000537 264136836 /nfs/dbraw/zinc/13/68/36/264136836.db2.gz GKYHPPBURWCZFA-VIFPVBQESA-N 2 2 307.385 3.079 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064754 264149960 /nfs/dbraw/zinc/14/99/60/264149960.db2.gz XONIJDOEFNHSPE-HZPDHXFCSA-N 2 2 305.466 3.012 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064754 264149962 /nfs/dbraw/zinc/14/99/62/264149962.db2.gz XONIJDOEFNHSPE-HZPDHXFCSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064754 264149964 /nfs/dbraw/zinc/14/99/64/264149964.db2.gz XONIJDOEFNHSPE-HZPDHXFCSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064754 264149967 /nfs/dbraw/zinc/14/99/67/264149967.db2.gz XONIJDOEFNHSPE-HZPDHXFCSA-N 2 2 305.466 3.012 20 0 DGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2cccc(F)c2)cc[nH+]1 ZINC000347081024 264152599 /nfs/dbraw/zinc/15/25/99/264152599.db2.gz DUQNZGOMWWWFSH-UHFFFAOYSA-N 2 2 316.424 3.307 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(SC)cc1OC ZINC000347093250 264155948 /nfs/dbraw/zinc/15/59/48/264155948.db2.gz GTPGIKLYHSWHOP-JSGCOSHPSA-N 2 2 324.490 3.127 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(SC)cc1OC ZINC000347093250 264155950 /nfs/dbraw/zinc/15/59/50/264155950.db2.gz GTPGIKLYHSWHOP-JSGCOSHPSA-N 2 2 324.490 3.127 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C)C1 ZINC000347106411 264157126 /nfs/dbraw/zinc/15/71/26/264157126.db2.gz LSYVOKJQJSEELJ-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C)C1 ZINC000347106411 264157129 /nfs/dbraw/zinc/15/71/29/264157129.db2.gz LSYVOKJQJSEELJ-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Clc1cc2cccnc2c(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347111724 264159196 /nfs/dbraw/zinc/15/91/96/264159196.db2.gz OPCDWKHYCJXTQF-MRXNPFEDSA-N 2 2 301.821 3.215 20 0 DGADLP Clc1cc2cccnc2c(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347111724 264159197 /nfs/dbraw/zinc/15/91/97/264159197.db2.gz OPCDWKHYCJXTQF-MRXNPFEDSA-N 2 2 301.821 3.215 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347116699 264159800 /nfs/dbraw/zinc/15/98/00/264159800.db2.gz WYEXAOGBUAHSIW-INIZCTEOSA-N 2 2 300.427 3.457 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347168283 264169062 /nfs/dbraw/zinc/16/90/62/264169062.db2.gz MGYYLGTZNWTKQU-XYPWUTKMSA-N 2 2 312.461 3.161 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347168283 264169064 /nfs/dbraw/zinc/16/90/64/264169064.db2.gz MGYYLGTZNWTKQU-XYPWUTKMSA-N 2 2 312.461 3.161 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc2[nH+]1 ZINC000347258994 264185008 /nfs/dbraw/zinc/18/50/08/264185008.db2.gz ODZOQDVYZHKQGT-QGZVFWFLSA-N 2 2 316.449 3.430 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCOc2ccccc2)s1 ZINC000347604922 264250342 /nfs/dbraw/zinc/25/03/42/264250342.db2.gz WDDYABCVSAURNP-UHFFFAOYSA-N 2 2 319.474 3.106 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCOc2ccccc2)s1 ZINC000347604922 264250344 /nfs/dbraw/zinc/25/03/44/264250344.db2.gz WDDYABCVSAURNP-UHFFFAOYSA-N 2 2 319.474 3.106 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc4occc4c3)CC2)c1 ZINC000347648852 264259975 /nfs/dbraw/zinc/25/99/75/264259975.db2.gz YUJKHGPLGBBTAG-UHFFFAOYSA-N 2 2 307.397 3.458 20 0 DGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1OC ZINC000347862456 264298020 /nfs/dbraw/zinc/29/80/20/264298020.db2.gz KKYZVODKADQRQV-UHFFFAOYSA-N 2 2 315.417 3.046 20 0 DGADLP COc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)c(OC)c1 ZINC000347900301 264302365 /nfs/dbraw/zinc/30/23/65/264302365.db2.gz JPDIKNIUACYFJD-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000347902944 264302726 /nfs/dbraw/zinc/30/27/26/264302726.db2.gz LUASGNHPVQQRFC-KRWDZBQOSA-N 2 2 309.457 3.363 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000347902945 264303199 /nfs/dbraw/zinc/30/31/99/264303199.db2.gz LUASGNHPVQQRFC-QGZVFWFLSA-N 2 2 309.457 3.363 20 0 DGADLP c1c(CC[NH2+][C@H]2CCCNc3ccccc32)[nH+]c2n1CCCC2 ZINC000347914673 264305084 /nfs/dbraw/zinc/30/50/84/264305084.db2.gz HXXWMXHKZKFFFL-SFHVURJKSA-N 2 2 310.445 3.299 20 0 DGADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1c(C)nn(C)c1C ZINC000348041416 264327066 /nfs/dbraw/zinc/32/70/66/264327066.db2.gz LOYOCCHENBAKIT-QGZVFWFLSA-N 2 2 300.450 3.414 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047553 264328531 /nfs/dbraw/zinc/32/85/31/264328531.db2.gz SWBSRQBFYUWVAZ-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047553 264328533 /nfs/dbraw/zinc/32/85/33/264328533.db2.gz SWBSRQBFYUWVAZ-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047553 264328534 /nfs/dbraw/zinc/32/85/34/264328534.db2.gz SWBSRQBFYUWVAZ-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047553 264328536 /nfs/dbraw/zinc/32/85/36/264328536.db2.gz SWBSRQBFYUWVAZ-QUCCMNQESA-N 3 2 317.521 3.217 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000348092164 264338468 /nfs/dbraw/zinc/33/84/68/264338468.db2.gz NHXYIEUAKMGBEU-QZTJIDSGSA-N 2 2 320.502 3.100 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(F)cn1 ZINC000348123653 264346494 /nfs/dbraw/zinc/34/64/94/264346494.db2.gz LPAWAKDMOBJNOB-CQSZACIVSA-N 2 2 311.445 3.389 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000348129394 264347251 /nfs/dbraw/zinc/34/72/51/264347251.db2.gz FNPLLRISIRHEQR-AVRDEDQJSA-N 2 2 316.470 3.032 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000348184179 264360046 /nfs/dbraw/zinc/36/00/46/264360046.db2.gz GJTLWETULXAYDF-BXUZGUMPSA-N 2 2 320.234 3.311 20 0 DGADLP CN(C)c1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348189641 264361265 /nfs/dbraw/zinc/36/12/65/264361265.db2.gz XVBRREHUSGHARR-UHFFFAOYSA-N 2 2 320.440 3.287 20 0 DGADLP C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253697 264375809 /nfs/dbraw/zinc/37/58/09/264375809.db2.gz LGBXGSUCLLPBTB-CZUORRHYSA-N 2 2 316.474 3.183 20 0 DGADLP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253697 264375810 /nfs/dbraw/zinc/37/58/10/264375810.db2.gz LGBXGSUCLLPBTB-CZUORRHYSA-N 2 2 316.474 3.183 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCc1c[nH+]ccc1C)CCO2 ZINC000348264116 264377639 /nfs/dbraw/zinc/37/76/39/264377639.db2.gz WDBJNCGVYRVOBQ-GOSISDBHSA-N 2 2 312.413 3.445 20 0 DGADLP COc1cc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c(F)cn1 ZINC000348367586 264397770 /nfs/dbraw/zinc/39/77/70/264397770.db2.gz CVQIFDZSRFZOEI-ZDUSSCGKSA-N 2 2 309.429 3.002 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@H]12 ZINC000351480144 264706714 /nfs/dbraw/zinc/70/67/14/264706714.db2.gz TYTHRFLRMXOZFO-KGYLQXTDSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@H]12 ZINC000351480144 264706717 /nfs/dbraw/zinc/70/67/17/264706717.db2.gz TYTHRFLRMXOZFO-KGYLQXTDSA-N 2 2 305.472 3.041 20 0 DGADLP CO[C@@H](C)c1nc(C[N@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352508924 265073886 /nfs/dbraw/zinc/07/38/86/265073886.db2.gz IMGOHMOKKTWVOP-ZDUSSCGKSA-N 2 2 311.495 3.192 20 0 DGADLP CO[C@@H](C)c1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352508924 265073887 /nfs/dbraw/zinc/07/38/87/265073887.db2.gz IMGOHMOKKTWVOP-ZDUSSCGKSA-N 2 2 311.495 3.192 20 0 DGADLP Cc1csc([C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)n1 ZINC000352761845 265155669 /nfs/dbraw/zinc/15/56/69/265155669.db2.gz ZTXPVNIQDMJODS-CQSZACIVSA-N 2 2 322.503 3.211 20 0 DGADLP COc1cccc(OC)c1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000352761686 265155844 /nfs/dbraw/zinc/15/58/44/265155844.db2.gz YHWUZTXSHHYLRI-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3cccc(F)c3)CC2)s1 ZINC000352765370 265157703 /nfs/dbraw/zinc/15/77/03/265157703.db2.gz JNEDUBIJORXULZ-UHFFFAOYSA-N 2 2 305.422 3.123 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352770428 265159410 /nfs/dbraw/zinc/15/94/10/265159410.db2.gz KJLSWYLSRUBBFV-HOTGVXAUSA-N 2 2 320.477 3.161 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000352777787 265162684 /nfs/dbraw/zinc/16/26/84/265162684.db2.gz URQNTTJEHHHZRF-UZLBHIALSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352777787 265162687 /nfs/dbraw/zinc/16/26/87/265162687.db2.gz URQNTTJEHHHZRF-UZLBHIALSA-N 2 2 309.457 3.397 20 0 DGADLP CSc1cccc(F)c1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000352946545 265242260 /nfs/dbraw/zinc/24/22/60/265242260.db2.gz JCRHZRUDQFROPK-UHFFFAOYSA-N 2 2 301.390 3.485 20 0 DGADLP Clc1ccccc1C1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000352976484 265252609 /nfs/dbraw/zinc/25/26/09/265252609.db2.gz KVKXQPYNIIQIIP-MOKVOYLWSA-N 2 2 301.821 3.387 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001997 265260294 /nfs/dbraw/zinc/26/02/94/265260294.db2.gz RTILNTPWGMFQBM-SJLPKXTDSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001997 265260302 /nfs/dbraw/zinc/26/03/02/265260302.db2.gz RTILNTPWGMFQBM-SJLPKXTDSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001997 265260309 /nfs/dbraw/zinc/26/03/09/265260309.db2.gz RTILNTPWGMFQBM-SJLPKXTDSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001997 265260312 /nfs/dbraw/zinc/26/03/12/265260312.db2.gz RTILNTPWGMFQBM-SJLPKXTDSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccs2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353155992 265322380 /nfs/dbraw/zinc/32/23/80/265322380.db2.gz QBWGERKNMDTTRB-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccs2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353155992 265322385 /nfs/dbraw/zinc/32/23/85/265322385.db2.gz QBWGERKNMDTTRB-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1ncc(-c2cccs2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353155992 265322388 /nfs/dbraw/zinc/32/23/88/265322388.db2.gz QBWGERKNMDTTRB-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1ncc(-c2cccs2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353155992 265322392 /nfs/dbraw/zinc/32/23/92/265322392.db2.gz QBWGERKNMDTTRB-PBWFPOADSA-N 2 2 317.458 3.460 20 0 DGADLP COc1ccc2nc(C[NH2+]CCc3cc[nH+]cc3C)sc2c1 ZINC000353203728 265341080 /nfs/dbraw/zinc/34/10/80/265341080.db2.gz DRANSLBKNVFZJF-UHFFFAOYSA-N 2 2 313.426 3.341 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000353237236 265357442 /nfs/dbraw/zinc/35/74/42/265357442.db2.gz SIDPPPJHWMAJJN-SCLBCKFNSA-N 2 2 300.446 3.244 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000353237236 265357446 /nfs/dbraw/zinc/35/74/46/265357446.db2.gz SIDPPPJHWMAJJN-SCLBCKFNSA-N 2 2 300.446 3.244 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCC[NH+]2CCC(C)CC2)c[nH+]1 ZINC000353933760 265601747 /nfs/dbraw/zinc/60/17/47/265601747.db2.gz QUWOSXQKEOBXTM-UHFFFAOYSA-N 3 2 303.494 3.424 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000354333657 265742995 /nfs/dbraw/zinc/74/29/95/265742995.db2.gz ZOHRKNOHOJRTOV-WUJZJPHMSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000354333657 265742997 /nfs/dbraw/zinc/74/29/97/265742997.db2.gz ZOHRKNOHOJRTOV-WUJZJPHMSA-N 2 2 322.493 3.105 20 0 DGADLP C[NH+]1CCC(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000172724760 432230652 /nfs/dbraw/zinc/23/06/52/432230652.db2.gz IXYDKJJXKHVKOA-UHFFFAOYSA-N 2 2 311.385 3.154 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443915 432230741 /nfs/dbraw/zinc/23/07/41/432230741.db2.gz XNZJEYMWMOYHPV-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443915 432230745 /nfs/dbraw/zinc/23/07/45/432230745.db2.gz XNZJEYMWMOYHPV-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443915 432230747 /nfs/dbraw/zinc/23/07/47/432230747.db2.gz XNZJEYMWMOYHPV-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443915 432230750 /nfs/dbraw/zinc/23/07/50/432230750.db2.gz XNZJEYMWMOYHPV-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000355338656 266043259 /nfs/dbraw/zinc/04/32/59/266043259.db2.gz YWHNFLLKMZQZTI-UHOSZYNNSA-N 2 2 316.489 3.239 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000355338656 266043261 /nfs/dbraw/zinc/04/32/61/266043261.db2.gz YWHNFLLKMZQZTI-UHOSZYNNSA-N 2 2 316.489 3.239 20 0 DGADLP Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cn2cc[nH+]c12 ZINC000355412611 266066743 /nfs/dbraw/zinc/06/67/43/266066743.db2.gz BDCASAYBSWBTPC-UHFFFAOYSA-N 2 2 317.352 3.081 20 0 DGADLP Clc1c[nH+]ccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000355570397 266118207 /nfs/dbraw/zinc/11/82/07/266118207.db2.gz BSNNNWFQEAFDDV-UHFFFAOYSA-N 2 2 323.868 3.064 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000356333641 266355869 /nfs/dbraw/zinc/35/58/69/266355869.db2.gz HOYXNAYKFOSSGO-ZDUSSCGKSA-N 2 2 307.800 3.245 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000356333641 266355871 /nfs/dbraw/zinc/35/58/71/266355871.db2.gz HOYXNAYKFOSSGO-ZDUSSCGKSA-N 2 2 307.800 3.245 20 0 DGADLP C[C@H](Nc1nc2ccccc2n2c[nH+]cc12)C1CC[NH+](C)CC1 ZINC000623969319 425121720 /nfs/dbraw/zinc/12/17/20/425121720.db2.gz BHJBPDDWCZWZCD-ZDUSSCGKSA-N 2 2 309.417 3.025 20 0 DGADLP C[NH+]1CCC(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000172808088 432237366 /nfs/dbraw/zinc/23/73/66/432237366.db2.gz ZUNKHAITZNWRDV-UHFFFAOYSA-N 2 2 311.385 3.154 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000270367032 432237475 /nfs/dbraw/zinc/23/74/75/432237475.db2.gz SOZDQOZTRPFPQD-KRWDZBQOSA-N 2 2 306.413 3.404 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000270367032 432237479 /nfs/dbraw/zinc/23/74/79/432237479.db2.gz SOZDQOZTRPFPQD-KRWDZBQOSA-N 2 2 306.413 3.404 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000270376536 432238827 /nfs/dbraw/zinc/23/88/27/432238827.db2.gz VFECTRYCBMZHPH-GOSISDBHSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000270376536 432238832 /nfs/dbraw/zinc/23/88/32/432238832.db2.gz VFECTRYCBMZHPH-GOSISDBHSA-N 2 2 320.440 3.447 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C(C)(C)O1 ZINC000151355404 432240080 /nfs/dbraw/zinc/24/00/80/432240080.db2.gz YJWUGSPWKROVCF-KRWDZBQOSA-N 2 2 313.445 3.367 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000270419487 432244019 /nfs/dbraw/zinc/24/40/19/432244019.db2.gz FDWURMMAUNYYPU-GXSJLCMTSA-N 2 2 302.249 3.320 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000270419487 432244022 /nfs/dbraw/zinc/24/40/22/432244022.db2.gz FDWURMMAUNYYPU-GXSJLCMTSA-N 2 2 302.249 3.320 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000247656696 432245167 /nfs/dbraw/zinc/24/51/67/432245167.db2.gz PQVRIDRQFDXOQS-QLFBSQMISA-N 2 2 317.437 3.253 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000247656696 432245171 /nfs/dbraw/zinc/24/51/71/432245171.db2.gz PQVRIDRQFDXOQS-QLFBSQMISA-N 2 2 317.437 3.253 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000367701419 271067045 /nfs/dbraw/zinc/06/70/45/271067045.db2.gz KPTSTHCLYIMTGT-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000367701419 271067048 /nfs/dbraw/zinc/06/70/48/271067048.db2.gz KPTSTHCLYIMTGT-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Clc1nccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000367972576 271105252 /nfs/dbraw/zinc/10/52/52/271105252.db2.gz LDYKWNKUKMGBRH-NWDGAFQWSA-N 2 2 300.233 3.105 20 0 DGADLP Clc1nccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000367972576 271105257 /nfs/dbraw/zinc/10/52/57/271105257.db2.gz LDYKWNKUKMGBRH-NWDGAFQWSA-N 2 2 300.233 3.105 20 0 DGADLP Cc1noc(C2CCC([NH2+]CCCc3c[nH+]ccc3C)CC2)n1 ZINC000368028105 271119493 /nfs/dbraw/zinc/11/94/93/271119493.db2.gz BYFZRWSMFCXWGJ-UHFFFAOYSA-N 2 2 314.433 3.330 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368045460 271122678 /nfs/dbraw/zinc/12/26/78/271122678.db2.gz VVOGUUAZADKKMI-INIZCTEOSA-N 2 2 312.417 3.073 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000368045460 271122681 /nfs/dbraw/zinc/12/26/81/271122681.db2.gz VVOGUUAZADKKMI-INIZCTEOSA-N 2 2 312.417 3.073 20 0 DGADLP FC(F)(F)c1ccc([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000368388622 271151242 /nfs/dbraw/zinc/15/12/42/271151242.db2.gz COEIPYGYIUWBAJ-CQSZACIVSA-N 2 2 309.335 3.391 20 0 DGADLP FC(F)(F)c1ccc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000368388622 271151247 /nfs/dbraw/zinc/15/12/47/271151247.db2.gz COEIPYGYIUWBAJ-CQSZACIVSA-N 2 2 309.335 3.391 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368539184 271167014 /nfs/dbraw/zinc/16/70/14/271167014.db2.gz RRQFCERENXGTAS-HRCADAONSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368539184 271167019 /nfs/dbraw/zinc/16/70/19/271167019.db2.gz RRQFCERENXGTAS-HRCADAONSA-N 2 2 314.429 3.255 20 0 DGADLP CSC1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000368565250 271171608 /nfs/dbraw/zinc/17/16/08/271171608.db2.gz BUMSXVWMWPGKEM-UHFFFAOYSA-N 2 2 308.466 3.275 20 0 DGADLP C[C@@H]1[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC12CCOCC2 ZINC000368813403 271211290 /nfs/dbraw/zinc/21/12/90/271211290.db2.gz GFHFKXLGHKLYLF-INIZCTEOSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@@H]1[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC12CCOCC2 ZINC000368813403 271211294 /nfs/dbraw/zinc/21/12/94/271211294.db2.gz GFHFKXLGHKLYLF-INIZCTEOSA-N 2 2 311.429 3.263 20 0 DGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000369024984 271234324 /nfs/dbraw/zinc/23/43/24/271234324.db2.gz BBUXNWNVMNJZOV-HNNXBMFYSA-N 2 2 319.497 3.091 20 0 DGADLP C[C@@]1(C[NH2+]Cc2cscn2)CC[N@H+](Cc2ccccc2)C1 ZINC000369185314 271249311 /nfs/dbraw/zinc/24/93/11/271249311.db2.gz VAXJLDUIMFUHDP-KRWDZBQOSA-N 2 2 301.459 3.145 20 0 DGADLP C[C@@]1(C[NH2+]Cc2cscn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000369185314 271249313 /nfs/dbraw/zinc/24/93/13/271249313.db2.gz VAXJLDUIMFUHDP-KRWDZBQOSA-N 2 2 301.459 3.145 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369349540 271266275 /nfs/dbraw/zinc/26/62/75/271266275.db2.gz ZLCGYVXEQXRDPO-QAPCUYQASA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369349540 271266279 /nfs/dbraw/zinc/26/62/79/271266279.db2.gz ZLCGYVXEQXRDPO-QAPCUYQASA-N 2 2 321.896 3.113 20 0 DGADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000370463069 271360534 /nfs/dbraw/zinc/36/05/34/271360534.db2.gz JJAVKFWNJRZCKI-OAHLLOKOSA-N 2 2 314.433 3.325 20 0 DGADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000370463069 271360537 /nfs/dbraw/zinc/36/05/37/271360537.db2.gz JJAVKFWNJRZCKI-OAHLLOKOSA-N 2 2 314.433 3.325 20 0 DGADLP Fc1ccc2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)oc2c1 ZINC000370463336 271361079 /nfs/dbraw/zinc/36/10/79/271361079.db2.gz JWMDGLXZRNDELV-UHFFFAOYSA-N 2 2 300.337 3.070 20 0 DGADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000370463068 271361294 /nfs/dbraw/zinc/36/12/94/271361294.db2.gz JJAVKFWNJRZCKI-HNNXBMFYSA-N 2 2 314.433 3.325 20 0 DGADLP CCc1noc(C)c1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000370463068 271361297 /nfs/dbraw/zinc/36/12/97/271361297.db2.gz JJAVKFWNJRZCKI-HNNXBMFYSA-N 2 2 314.433 3.325 20 0 DGADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245179 273473826 /nfs/dbraw/zinc/47/38/26/273473826.db2.gz YGXBDNAZZALZNO-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423305376 273615564 /nfs/dbraw/zinc/61/55/64/273615564.db2.gz BMKPYCJMADKPJM-JTQLQIEISA-N 2 2 303.269 3.087 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422597 274059818 /nfs/dbraw/zinc/05/98/18/274059818.db2.gz PJEMSYUVVBGQNE-LPHOPBHVSA-N 2 2 313.445 3.234 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422597 274059820 /nfs/dbraw/zinc/05/98/20/274059820.db2.gz PJEMSYUVVBGQNE-LPHOPBHVSA-N 2 2 313.445 3.234 20 0 DGADLP COc1ccc([C@H]([NH2+]CCc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422741400 274117457 /nfs/dbraw/zinc/11/74/57/274117457.db2.gz DKOKDTJMRVAKOP-PMACEKPBSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1c[nH+]ccc1N ZINC000423438200 274256190 /nfs/dbraw/zinc/25/61/90/274256190.db2.gz MTPVWBQEHQTPMO-BDJLRTHQSA-N 2 2 312.417 3.029 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453259199 274318336 /nfs/dbraw/zinc/31/83/36/274318336.db2.gz PSOUUNSRJYMYII-GJYPPUQNSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453259199 274318340 /nfs/dbraw/zinc/31/83/40/274318340.db2.gz PSOUUNSRJYMYII-GJYPPUQNSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000443444173 274334325 /nfs/dbraw/zinc/33/43/25/274334325.db2.gz ZPAUZSXUOXLJJM-LLVKDONJSA-N 2 2 320.234 3.138 20 0 DGADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000443444173 274334326 /nfs/dbraw/zinc/33/43/26/274334326.db2.gz ZPAUZSXUOXLJJM-LLVKDONJSA-N 2 2 320.234 3.138 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]1 ZINC000422960371 274522403 /nfs/dbraw/zinc/52/24/03/274522403.db2.gz WBUJHYIGCGZWIO-NZVBXONLSA-N 2 2 309.251 3.167 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000423232896 274675378 /nfs/dbraw/zinc/67/53/78/274675378.db2.gz JAAYYMIDNFQYTN-KGLIPLIRSA-N 2 2 309.251 3.086 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000431408458 274888351 /nfs/dbraw/zinc/88/83/51/274888351.db2.gz CKBCMXFMCIQJEN-OAHLLOKOSA-N 2 2 316.424 3.167 20 0 DGADLP Brc1c[nH+]ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000274745005 275377791 /nfs/dbraw/zinc/37/77/91/275377791.db2.gz AQTRJJPPGBLRMA-UHFFFAOYSA-N 2 2 324.266 3.299 20 0 DGADLP Brc1c[nH+]ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000274745005 275377792 /nfs/dbraw/zinc/37/77/92/275377792.db2.gz AQTRJJPPGBLRMA-UHFFFAOYSA-N 2 2 324.266 3.299 20 0 DGADLP Cc1nc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647251 429358577 /nfs/dbraw/zinc/35/85/77/429358577.db2.gz XXSOTCWIHOHVQA-MAUKXSAKSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1nc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647251 429358581 /nfs/dbraw/zinc/35/85/81/429358581.db2.gz XXSOTCWIHOHVQA-MAUKXSAKSA-N 2 2 310.445 3.498 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422764226 275736210 /nfs/dbraw/zinc/73/62/10/275736210.db2.gz PPNDISALYRLYQX-PMACEKPBSA-N 2 2 316.489 3.099 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414938144 275769939 /nfs/dbraw/zinc/76/99/39/275769939.db2.gz DXHYTYJCWSBIQX-CRAIPNDOSA-N 2 2 312.461 3.226 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC000109787159 276004068 /nfs/dbraw/zinc/00/40/68/276004068.db2.gz YTIYQGXZTKUYJV-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC000109787159 276004069 /nfs/dbraw/zinc/00/40/69/276004069.db2.gz YTIYQGXZTKUYJV-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420296969 276020673 /nfs/dbraw/zinc/02/06/73/276020673.db2.gz XSYSICRHMDJZKR-QGZVFWFLSA-N 2 2 320.868 3.331 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420296969 276020677 /nfs/dbraw/zinc/02/06/77/276020677.db2.gz XSYSICRHMDJZKR-QGZVFWFLSA-N 2 2 320.868 3.331 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068952 276174236 /nfs/dbraw/zinc/17/42/36/276174236.db2.gz WBHPGZFONZQBSL-RDTXWAMCSA-N 2 2 302.462 3.492 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068952 276174238 /nfs/dbraw/zinc/17/42/38/276174238.db2.gz WBHPGZFONZQBSL-RDTXWAMCSA-N 2 2 302.462 3.492 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC000343897470 276252251 /nfs/dbraw/zinc/25/22/51/276252251.db2.gz XZVQFFHTKROODS-XHDPSFHLSA-N 2 2 316.367 3.144 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC000343897470 276252253 /nfs/dbraw/zinc/25/22/53/276252253.db2.gz XZVQFFHTKROODS-XHDPSFHLSA-N 2 2 316.367 3.144 20 0 DGADLP CC[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423247822 276266886 /nfs/dbraw/zinc/26/68/86/276266886.db2.gz PZCCUABXUDAEJF-AWEZNQCLSA-N 2 2 301.459 3.387 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC000446846547 276288156 /nfs/dbraw/zinc/28/81/56/276288156.db2.gz BCJBVKARONVVCC-YESZJQIVSA-N 2 2 324.509 3.066 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC000446846547 276288157 /nfs/dbraw/zinc/28/81/57/276288157.db2.gz BCJBVKARONVVCC-YESZJQIVSA-N 2 2 324.509 3.066 20 0 DGADLP C[C@@H](C[NH+]1CCCCCC1)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000475743419 429716273 /nfs/dbraw/zinc/71/62/73/429716273.db2.gz YMMONSNRLUXCNG-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP CC[C@@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)OC ZINC000419299782 276422732 /nfs/dbraw/zinc/42/27/32/276422732.db2.gz ZMBYMVZNZWOZLO-INIZCTEOSA-N 2 2 301.434 3.407 20 0 DGADLP C/C(=C\c1ccccc1)CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000532680952 430154757 /nfs/dbraw/zinc/15/47/57/430154757.db2.gz GXXQWLXDTJHTSU-SAPNQHFASA-N 2 2 322.456 3.349 20 0 DGADLP C/C(=C/c1ccccc1)CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000532680953 430155306 /nfs/dbraw/zinc/15/53/06/430155306.db2.gz GXXQWLXDTJHTSU-VKAVYKQESA-N 2 2 322.456 3.349 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203285 277177564 /nfs/dbraw/zinc/17/75/64/277177564.db2.gz VUKFBOBPKJZDDX-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203285 277177565 /nfs/dbraw/zinc/17/75/65/277177565.db2.gz VUKFBOBPKJZDDX-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203285 277177566 /nfs/dbraw/zinc/17/75/66/277177566.db2.gz VUKFBOBPKJZDDX-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@@H]2C1 ZINC000495203285 277177567 /nfs/dbraw/zinc/17/75/67/277177567.db2.gz VUKFBOBPKJZDDX-FUHWJXTLSA-N 2 2 314.473 3.316 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000061377088 277213665 /nfs/dbraw/zinc/21/36/65/277213665.db2.gz VUFWLSUFCLKQAU-CQSZACIVSA-N 2 2 314.882 3.045 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000061377088 277213667 /nfs/dbraw/zinc/21/36/67/277213667.db2.gz VUFWLSUFCLKQAU-CQSZACIVSA-N 2 2 314.882 3.045 20 0 DGADLP C[NH2+]CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423222947 277272838 /nfs/dbraw/zinc/27/28/38/277272838.db2.gz DHQGPWSXPGTVKW-NOZJJQNGSA-N 2 2 315.280 3.041 20 0 DGADLP COc1cccc2c(N3CCC4(CCC[N@@H+]4C)CC3)cc[nH+]c12 ZINC000440656919 278023682 /nfs/dbraw/zinc/02/36/82/278023682.db2.gz CNZMBGDQOWHUGL-UHFFFAOYSA-N 2 2 311.429 3.308 20 0 DGADLP COc1cccc2c(N3CCC4(CCC[N@H+]4C)CC3)cc[nH+]c12 ZINC000440656919 278023683 /nfs/dbraw/zinc/02/36/83/278023683.db2.gz CNZMBGDQOWHUGL-UHFFFAOYSA-N 2 2 311.429 3.308 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000484152035 278048901 /nfs/dbraw/zinc/04/89/01/278048901.db2.gz NJFOPTLRZGVUAE-IRXDYDNUSA-N 2 2 304.478 3.429 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)c1nc2ccccc2n1C)[NH+]1CCCCC1 ZINC000184513406 278233800 /nfs/dbraw/zinc/23/38/00/278233800.db2.gz IFEMNOQQQQIDAR-HOTGVXAUSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423372583 278250947 /nfs/dbraw/zinc/25/09/47/278250947.db2.gz RDJMVPUIDGIIIP-VYUIOLGVSA-N 2 2 315.280 3.169 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687840 278284870 /nfs/dbraw/zinc/28/48/70/278284870.db2.gz MJOFAGYFIOJTBP-MDZLAQPJSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687840 278284872 /nfs/dbraw/zinc/28/48/72/278284872.db2.gz MJOFAGYFIOJTBP-MDZLAQPJSA-N 2 2 324.266 3.120 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000415109763 278369872 /nfs/dbraw/zinc/36/98/72/278369872.db2.gz MFWRHPUBHNNXCN-CYBMUJFWSA-N 2 2 322.415 3.056 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000415109763 278369874 /nfs/dbraw/zinc/36/98/74/278369874.db2.gz MFWRHPUBHNNXCN-CYBMUJFWSA-N 2 2 322.415 3.056 20 0 DGADLP CC[C@H](NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422772458 288048478 /nfs/dbraw/zinc/04/84/78/288048478.db2.gz YRQCHLCRDVWCPB-YESZJQIVSA-N 2 2 309.885 3.063 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772458 288048482 /nfs/dbraw/zinc/04/84/82/288048482.db2.gz YRQCHLCRDVWCPB-YESZJQIVSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000415068211 278498891 /nfs/dbraw/zinc/49/88/91/278498891.db2.gz QRKWTECLDGZUSB-ATZDWAIDSA-N 3 2 307.526 3.137 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423193376 278993585 /nfs/dbraw/zinc/99/35/85/278993585.db2.gz QMIBVTSLZTWEDH-GYSYKLTISA-N 2 2 309.251 3.339 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)c2ccccc21)C[NH+]1CCOCC1 ZINC000153271324 279353306 /nfs/dbraw/zinc/35/33/06/279353306.db2.gz UAUZKOXGJDYZCI-MDZRGWNJSA-N 2 2 302.462 3.183 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000109069202 431165667 /nfs/dbraw/zinc/16/56/67/431165667.db2.gz WXRNYSWJQHORAU-LLVKDONJSA-N 2 2 304.768 3.125 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000109069202 431165671 /nfs/dbraw/zinc/16/56/71/431165671.db2.gz WXRNYSWJQHORAU-LLVKDONJSA-N 2 2 304.768 3.125 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070150023 431243584 /nfs/dbraw/zinc/24/35/84/431243584.db2.gz NSZURRGJTPSTDY-CYBMUJFWSA-N 2 2 305.447 3.415 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070150023 431243591 /nfs/dbraw/zinc/24/35/91/431243591.db2.gz NSZURRGJTPSTDY-CYBMUJFWSA-N 2 2 305.447 3.415 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000113515363 431350799 /nfs/dbraw/zinc/35/07/99/431350799.db2.gz NLBFECMFOOUSDX-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000113515363 431350804 /nfs/dbraw/zinc/35/08/04/431350804.db2.gz NLBFECMFOOUSDX-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000073852663 431384880 /nfs/dbraw/zinc/38/48/80/431384880.db2.gz RLWCHLRMEYGIOG-CYBMUJFWSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000073852663 431384889 /nfs/dbraw/zinc/38/48/89/431384889.db2.gz RLWCHLRMEYGIOG-CYBMUJFWSA-N 2 2 309.251 3.084 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)sc2C1 ZINC000414836642 279773582 /nfs/dbraw/zinc/77/35/82/279773582.db2.gz IQQZDFOSTKJKOY-WFASDCNBSA-N 2 2 307.507 3.265 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000422744847 280334199 /nfs/dbraw/zinc/33/41/99/280334199.db2.gz KXZLZNOXBKYNMB-CPUCHLNUSA-N 2 2 310.869 3.394 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000077249675 431578605 /nfs/dbraw/zinc/57/86/05/431578605.db2.gz XRBDVVCTPKXZMP-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000077249675 431578612 /nfs/dbraw/zinc/57/86/12/431578612.db2.gz XRBDVVCTPKXZMP-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000119119176 431651458 /nfs/dbraw/zinc/65/14/58/431651458.db2.gz JVIXJIPGFRCCQD-LPHOPBHVSA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000119119176 431651466 /nfs/dbraw/zinc/65/14/66/431651466.db2.gz JVIXJIPGFRCCQD-LPHOPBHVSA-N 2 2 312.461 3.218 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841920 431620987 /nfs/dbraw/zinc/62/09/87/431620987.db2.gz RHKAMQVPVFIBOW-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841920 431620989 /nfs/dbraw/zinc/62/09/89/431620989.db2.gz RHKAMQVPVFIBOW-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841920 431620992 /nfs/dbraw/zinc/62/09/92/431620992.db2.gz RHKAMQVPVFIBOW-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841920 431620995 /nfs/dbraw/zinc/62/09/95/431620995.db2.gz RHKAMQVPVFIBOW-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000078358501 431661311 /nfs/dbraw/zinc/66/13/11/431661311.db2.gz HACCRFQHOIWFDM-HXUWFJFHSA-N 2 2 309.457 3.254 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000078358501 431661318 /nfs/dbraw/zinc/66/13/18/431661318.db2.gz HACCRFQHOIWFDM-HXUWFJFHSA-N 2 2 309.457 3.254 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119377162 431683319 /nfs/dbraw/zinc/68/33/19/431683319.db2.gz CGLBTVPEFQKVOR-MAUKXSAKSA-N 2 2 324.428 3.032 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119377162 431683326 /nfs/dbraw/zinc/68/33/26/431683326.db2.gz CGLBTVPEFQKVOR-MAUKXSAKSA-N 2 2 324.428 3.032 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000121424498 431784438 /nfs/dbraw/zinc/78/44/38/431784438.db2.gz CPXMLRVSJLDFGV-WDSOQIARSA-N 2 2 323.440 3.310 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)cs1 ZINC000036915436 431841999 /nfs/dbraw/zinc/84/19/99/431841999.db2.gz MHWRPBROBZJGAJ-LLVKDONJSA-N 2 2 300.431 3.460 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cncs1 ZINC000122773768 431844426 /nfs/dbraw/zinc/84/44/26/431844426.db2.gz PDOFNUGAKCSRLM-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cncs1 ZINC000122773768 431844428 /nfs/dbraw/zinc/84/44/28/431844428.db2.gz PDOFNUGAKCSRLM-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(C)n1 ZINC000122774978 431844452 /nfs/dbraw/zinc/84/44/52/431844452.db2.gz ATMKSNJAGFRHFE-OAHLLOKOSA-N 2 2 324.472 3.192 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(C)n1 ZINC000122774978 431844454 /nfs/dbraw/zinc/84/44/54/431844454.db2.gz ATMKSNJAGFRHFE-OAHLLOKOSA-N 2 2 324.472 3.192 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]Cc1cc[nH]c1)c1cccc(OC)c1 ZINC000086249748 431844567 /nfs/dbraw/zinc/84/45/67/431844567.db2.gz SAFAARXCWZMPOK-GOSISDBHSA-N 2 2 301.434 3.196 20 0 DGADLP Cc1cnc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000122897861 431847799 /nfs/dbraw/zinc/84/77/99/431847799.db2.gz SDFZCOKKBHOLQZ-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP FC(F)SCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037648824 431849413 /nfs/dbraw/zinc/84/94/13/431849413.db2.gz BPUTVGSWIYWFBA-LLVKDONJSA-N 2 2 316.417 3.309 20 0 DGADLP FC(F)SCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037648824 431849416 /nfs/dbraw/zinc/84/94/16/431849416.db2.gz BPUTVGSWIYWFBA-LLVKDONJSA-N 2 2 316.417 3.309 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003261 431853209 /nfs/dbraw/zinc/85/32/09/431853209.db2.gz JPPOIRZJIQMYBC-UWVGGRQHSA-N 2 2 314.252 3.446 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428513 431865799 /nfs/dbraw/zinc/86/57/99/431865799.db2.gz ILFNEEYOFYBLLC-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428513 431865801 /nfs/dbraw/zinc/86/58/01/431865801.db2.gz ILFNEEYOFYBLLC-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428513 431865802 /nfs/dbraw/zinc/86/58/02/431865802.db2.gz ILFNEEYOFYBLLC-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428513 431865804 /nfs/dbraw/zinc/86/58/04/431865804.db2.gz ILFNEEYOFYBLLC-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@@H+](Cc1c(F)cccc1N1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253934 431908707 /nfs/dbraw/zinc/90/87/07/431908707.db2.gz RGBIKQCYHPZDBA-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP C[N@H+](Cc1c(F)cccc1N1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253934 431908709 /nfs/dbraw/zinc/90/87/09/431908709.db2.gz RGBIKQCYHPZDBA-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP C[NH+](Cc1c(F)cccc1N1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253934 431908710 /nfs/dbraw/zinc/90/87/10/431908710.db2.gz RGBIKQCYHPZDBA-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP C[NH+](Cc1c(F)cccc1N1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253934 431908712 /nfs/dbraw/zinc/90/87/12/431908712.db2.gz RGBIKQCYHPZDBA-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP COCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000124985442 431909656 /nfs/dbraw/zinc/90/96/56/431909656.db2.gz ANUCCRSCJFVXHV-UHFFFAOYSA-N 2 2 314.429 3.180 20 0 DGADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065613 431912461 /nfs/dbraw/zinc/91/24/61/431912461.db2.gz COXKSEXTCLDUEA-WMZOPIPTSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065613 431912464 /nfs/dbraw/zinc/91/24/64/431912464.db2.gz COXKSEXTCLDUEA-WMZOPIPTSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065613 431912466 /nfs/dbraw/zinc/91/24/66/431912466.db2.gz COXKSEXTCLDUEA-WMZOPIPTSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065613 431912469 /nfs/dbraw/zinc/91/24/69/431912469.db2.gz COXKSEXTCLDUEA-WMZOPIPTSA-N 2 2 317.477 3.210 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000044535749 431875484 /nfs/dbraw/zinc/87/54/84/431875484.db2.gz UTIZBLWHDXXTHS-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000044535749 431875486 /nfs/dbraw/zinc/87/54/86/431875486.db2.gz UTIZBLWHDXXTHS-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000044537019 431875631 /nfs/dbraw/zinc/87/56/31/431875631.db2.gz LSZASIPQYXYDIO-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000044537019 431875633 /nfs/dbraw/zinc/87/56/33/431875633.db2.gz LSZASIPQYXYDIO-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003573 431888347 /nfs/dbraw/zinc/88/83/47/431888347.db2.gz DLDZQDVKASDKGA-AWEZNQCLSA-N 2 2 318.490 3.455 20 0 DGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003573 431888348 /nfs/dbraw/zinc/88/83/48/431888348.db2.gz DLDZQDVKASDKGA-AWEZNQCLSA-N 2 2 318.490 3.455 20 0 DGADLP COc1ncccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124524916 431896373 /nfs/dbraw/zinc/89/63/73/431896373.db2.gz JBKBBKSIBVTTAD-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560192 431897993 /nfs/dbraw/zinc/89/79/93/431897993.db2.gz SFRBHWJGCRJWGQ-ZYHUDNBSSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560192 431897996 /nfs/dbraw/zinc/89/79/96/431897996.db2.gz SFRBHWJGCRJWGQ-ZYHUDNBSSA-N 2 2 303.233 3.184 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127714101 431978888 /nfs/dbraw/zinc/97/88/88/431978888.db2.gz CJNSDPVGCHALGO-UHFFFAOYSA-N 2 2 310.445 3.137 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000098143749 431979121 /nfs/dbraw/zinc/97/91/21/431979121.db2.gz RZOCGUFQOPIQSI-PBHICJAKSA-N 2 2 310.869 3.083 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc2)n1 ZINC000126667622 431955260 /nfs/dbraw/zinc/95/52/60/431955260.db2.gz XFENVIZARNFFBC-SFHVURJKSA-N 2 2 321.428 3.376 20 0 DGADLP c1c[nH]c([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc2)n1 ZINC000126667870 431955769 /nfs/dbraw/zinc/95/57/69/431955769.db2.gz XFENVIZARNFFBC-GOSISDBHSA-N 2 2 321.428 3.376 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)CC3 ZINC000427882680 281036048 /nfs/dbraw/zinc/03/60/48/281036048.db2.gz OPFNZUPEFFLOKQ-HUUCEWRRSA-N 2 2 320.440 3.135 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000247706278 281254107 /nfs/dbraw/zinc/25/41/07/281254107.db2.gz YYYBBSGMYKZFNJ-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000247706278 281254108 /nfs/dbraw/zinc/25/41/08/281254108.db2.gz YYYBBSGMYKZFNJ-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP Fc1cccc(O[C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000183208928 432269407 /nfs/dbraw/zinc/26/94/07/432269407.db2.gz JSIJOUDOMJFPBN-KRWDZBQOSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1cccc(O[C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000183208928 432269408 /nfs/dbraw/zinc/26/94/08/432269408.db2.gz JSIJOUDOMJFPBN-KRWDZBQOSA-N 2 2 311.360 3.127 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000191484857 432269649 /nfs/dbraw/zinc/26/96/49/432269649.db2.gz HGZIKBWQFKVXKF-HNNXBMFYSA-N 2 2 303.431 3.109 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2ccccc2n1 ZINC000191513851 432272671 /nfs/dbraw/zinc/27/26/71/432272671.db2.gz TWLQCOPPCHSRRH-UHFFFAOYSA-N 2 2 311.433 3.005 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2ccccc2n1 ZINC000191513851 432272674 /nfs/dbraw/zinc/27/26/74/432272674.db2.gz TWLQCOPPCHSRRH-UHFFFAOYSA-N 2 2 311.433 3.005 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000183292576 432280707 /nfs/dbraw/zinc/28/07/07/432280707.db2.gz YNIRGAJQTQWLBS-SFHVURJKSA-N 2 2 316.493 3.258 20 0 DGADLP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248373678 432281758 /nfs/dbraw/zinc/28/17/58/432281758.db2.gz KOKUVSACCCZIBU-IEBWSBKVSA-N 2 2 319.493 3.087 20 0 DGADLP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248373678 432281761 /nfs/dbraw/zinc/28/17/61/432281761.db2.gz KOKUVSACCCZIBU-IEBWSBKVSA-N 2 2 319.493 3.087 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@@H](C)C1 ZINC000248395352 432285616 /nfs/dbraw/zinc/28/56/16/432285616.db2.gz YSDRKPSQIXSKNN-LRDDRELGSA-N 2 2 308.853 3.095 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@@H](C)C1 ZINC000248395352 432285619 /nfs/dbraw/zinc/28/56/19/432285619.db2.gz YSDRKPSQIXSKNN-LRDDRELGSA-N 2 2 308.853 3.095 20 0 DGADLP C[C@@H](O)[C@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)Cc1ccccc1 ZINC000191712340 432293326 /nfs/dbraw/zinc/29/33/26/432293326.db2.gz GOGJCEZRISZMDH-UZLBHIALSA-N 2 2 323.440 3.054 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000270899317 432301011 /nfs/dbraw/zinc/30/10/11/432301011.db2.gz ZGWIFRFJPBWCED-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000270899317 432301015 /nfs/dbraw/zinc/30/10/15/432301015.db2.gz ZGWIFRFJPBWCED-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422301 431993742 /nfs/dbraw/zinc/99/37/42/431993742.db2.gz QFMXQBJRJISOJQ-DYEKYZERSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422301 431993743 /nfs/dbraw/zinc/99/37/43/431993743.db2.gz QFMXQBJRJISOJQ-DYEKYZERSA-N 2 2 305.447 3.221 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000248075380 432266523 /nfs/dbraw/zinc/26/65/23/432266523.db2.gz MXBAVBGALUZSQB-BSDSXHPESA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000248075380 432266527 /nfs/dbraw/zinc/26/65/27/432266527.db2.gz MXBAVBGALUZSQB-BSDSXHPESA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000248075380 432266530 /nfs/dbraw/zinc/26/65/30/432266530.db2.gz MXBAVBGALUZSQB-BSDSXHPESA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000248075380 432266531 /nfs/dbraw/zinc/26/65/31/432266531.db2.gz MXBAVBGALUZSQB-BSDSXHPESA-N 3 2 309.542 3.205 20 0 DGADLP FC(F)(F)C1(C(F)(F)F)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183179693 432267412 /nfs/dbraw/zinc/26/74/12/432267412.db2.gz MOKIELKYJKNAEP-UHFFFAOYSA-N 2 2 315.261 3.090 20 0 DGADLP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183179693 432267414 /nfs/dbraw/zinc/26/74/14/432267414.db2.gz MOKIELKYJKNAEP-UHFFFAOYSA-N 2 2 315.261 3.090 20 0 DGADLP CCC(CC)[C@H](CNC(=O)Nc1ccc(C)[nH+]c1C)[NH+](C)C ZINC000152244502 432316362 /nfs/dbraw/zinc/31/63/62/432316362.db2.gz WORHWLQLJZHBJP-INIZCTEOSA-N 2 2 306.454 3.186 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC([NH+]4CCCCC4)CC3)n2c1 ZINC000271044469 432319849 /nfs/dbraw/zinc/31/98/49/432319849.db2.gz PNKFIISXTADHAJ-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000192036385 432327513 /nfs/dbraw/zinc/32/75/13/432327513.db2.gz KRSKZUOPPSJHMM-SFHVURJKSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000192036385 432327516 /nfs/dbraw/zinc/32/75/16/432327516.db2.gz KRSKZUOPPSJHMM-SFHVURJKSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc3)[nH+]c12 ZINC000192099590 432333341 /nfs/dbraw/zinc/33/33/41/432333341.db2.gz MPBXEMBQZZGMSO-KBPBESRZSA-N 2 2 322.412 3.232 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271135232 432333925 /nfs/dbraw/zinc/33/39/25/432333925.db2.gz SCCCINAPVHQHNK-CQSZACIVSA-N 2 2 308.385 3.043 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271135232 432333927 /nfs/dbraw/zinc/33/39/27/432333927.db2.gz SCCCINAPVHQHNK-CQSZACIVSA-N 2 2 308.385 3.043 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000183944951 432336629 /nfs/dbraw/zinc/33/66/29/432336629.db2.gz DVNDWYYEUOVDTQ-INIZCTEOSA-N 2 2 324.415 3.168 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000183944951 432336631 /nfs/dbraw/zinc/33/66/31/432336631.db2.gz DVNDWYYEUOVDTQ-INIZCTEOSA-N 2 2 324.415 3.168 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCOC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000249100451 432338310 /nfs/dbraw/zinc/33/83/10/432338310.db2.gz NOEMHRCMXDVWOW-NEWSRXKRSA-N 2 2 302.462 3.147 20 0 DGADLP CC[N@H+](C[C@H]1CC[C@@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000249127699 432340196 /nfs/dbraw/zinc/34/01/96/432340196.db2.gz UKECQYJSCFKZAN-SJLPKXTDSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](C[C@H]1CC[C@@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000249127699 432340202 /nfs/dbraw/zinc/34/02/02/432340202.db2.gz UKECQYJSCFKZAN-SJLPKXTDSA-N 2 2 317.477 3.187 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000271187457 432347728 /nfs/dbraw/zinc/34/77/28/432347728.db2.gz NZYXWEHPZKAOAR-QGZVFWFLSA-N 2 2 311.429 3.156 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000271187457 432347731 /nfs/dbraw/zinc/34/77/31/432347731.db2.gz NZYXWEHPZKAOAR-QGZVFWFLSA-N 2 2 311.429 3.156 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271209470 432354386 /nfs/dbraw/zinc/35/43/86/432354386.db2.gz UANFSVYUYPCOOK-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP C[C@H]1CC[N@H+](CCCOCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248599366 432304539 /nfs/dbraw/zinc/30/45/39/432304539.db2.gz UPEIJXCIJGDLQF-PKOBYXMFSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248599366 432304542 /nfs/dbraw/zinc/30/45/42/432304542.db2.gz UPEIJXCIJGDLQF-PKOBYXMFSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248615522 432307114 /nfs/dbraw/zinc/30/71/14/432307114.db2.gz KCIKREGONTWJQX-SJORKVTESA-N 2 2 302.466 3.126 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248615522 432307118 /nfs/dbraw/zinc/30/71/18/432307118.db2.gz KCIKREGONTWJQX-SJORKVTESA-N 2 2 302.466 3.126 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248624594 432308555 /nfs/dbraw/zinc/30/85/55/432308555.db2.gz ORDZCJIRBUEFEC-ZACQAIPSSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248624594 432308560 /nfs/dbraw/zinc/30/85/60/432308560.db2.gz ORDZCJIRBUEFEC-ZACQAIPSSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248624594 432308566 /nfs/dbraw/zinc/30/85/66/432308566.db2.gz ORDZCJIRBUEFEC-ZACQAIPSSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248624594 432308571 /nfs/dbraw/zinc/30/85/71/432308571.db2.gz ORDZCJIRBUEFEC-ZACQAIPSSA-N 2 2 302.466 3.124 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C2 ZINC000192438989 432374196 /nfs/dbraw/zinc/37/41/96/432374196.db2.gz CQGPUMFQLWCXHD-DOTOQJQBSA-N 2 2 302.462 3.017 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271339449 432377511 /nfs/dbraw/zinc/37/75/11/432377511.db2.gz GJZFUIASGWZMCE-UGSOOPFHSA-N 2 2 313.376 3.339 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000252714927 432386185 /nfs/dbraw/zinc/38/61/85/432386185.db2.gz UBOYFSJFNIVZKE-DGCLKSJQSA-N 2 2 302.340 3.015 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000252714927 432386188 /nfs/dbraw/zinc/38/61/88/432386188.db2.gz UBOYFSJFNIVZKE-DGCLKSJQSA-N 2 2 302.340 3.015 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000253199126 432390044 /nfs/dbraw/zinc/39/00/44/432390044.db2.gz WEBFQXZOLWCQKN-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000253199126 432390046 /nfs/dbraw/zinc/39/00/46/432390046.db2.gz WEBFQXZOLWCQKN-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356212 432364019 /nfs/dbraw/zinc/36/40/19/432364019.db2.gz UUOIQCNLCDTRFT-OAQYLSRUSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356212 432364024 /nfs/dbraw/zinc/36/40/24/432364024.db2.gz UUOIQCNLCDTRFT-OAQYLSRUSA-N 2 2 324.468 3.376 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571426 432429863 /nfs/dbraw/zinc/42/98/63/432429863.db2.gz LBAZGUUMSOQRIE-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571426 432429866 /nfs/dbraw/zinc/42/98/66/432429866.db2.gz LBAZGUUMSOQRIE-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000261553446 432430518 /nfs/dbraw/zinc/43/05/18/432430518.db2.gz SMIBILNEEBFQGE-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cncc(F)c1 ZINC000153670335 432431584 /nfs/dbraw/zinc/43/15/84/432431584.db2.gz MOIKEQIYKQJOCY-LBPRGKRZSA-N 2 2 314.339 3.396 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+](Cc1noc(C[NH3+])n1)CC(C)C ZINC000261620119 432435035 /nfs/dbraw/zinc/43/50/35/432435035.db2.gz CYEBEQOKMLZJRY-HNNXBMFYSA-N 2 2 302.422 3.138 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+](Cc1noc(C[NH3+])n1)CC(C)C ZINC000261620119 432435041 /nfs/dbraw/zinc/43/50/41/432435041.db2.gz CYEBEQOKMLZJRY-HNNXBMFYSA-N 2 2 302.422 3.138 20 0 DGADLP c1coc(-c2ncc(C[NH2+]C3CC[NH+](CC4CC4)CC3)s2)c1 ZINC000193013117 432439192 /nfs/dbraw/zinc/43/91/92/432439192.db2.gz JNQNOCLMMOTGOJ-UHFFFAOYSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000261667338 432439321 /nfs/dbraw/zinc/43/93/21/432439321.db2.gz ITVJYFXFRUQECP-CQSZACIVSA-N 2 2 303.233 3.043 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000261667338 432439326 /nfs/dbraw/zinc/43/93/26/432439326.db2.gz ITVJYFXFRUQECP-CQSZACIVSA-N 2 2 303.233 3.043 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261695168 432442174 /nfs/dbraw/zinc/44/21/74/432442174.db2.gz BSLFNJJHZSRKGX-LRDDRELGSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261695168 432442178 /nfs/dbraw/zinc/44/21/78/432442178.db2.gz BSLFNJJHZSRKGX-LRDDRELGSA-N 2 2 323.278 3.195 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261847116 432454302 /nfs/dbraw/zinc/45/43/02/432454302.db2.gz WHTBKFIDDRLMJF-SMDDNHRTSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261847116 432454307 /nfs/dbraw/zinc/45/43/07/432454307.db2.gz WHTBKFIDDRLMJF-SMDDNHRTSA-N 2 2 315.244 3.056 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863657 432456757 /nfs/dbraw/zinc/45/67/57/432456757.db2.gz GGYIAJCSBIGZQI-OCCSQVGLSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863657 432456760 /nfs/dbraw/zinc/45/67/60/432456760.db2.gz GGYIAJCSBIGZQI-OCCSQVGLSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876137 432457019 /nfs/dbraw/zinc/45/70/19/432457019.db2.gz XZMSYXMEQDPOFG-KANFNMMFSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876137 432457024 /nfs/dbraw/zinc/45/70/24/432457024.db2.gz XZMSYXMEQDPOFG-KANFNMMFSA-N 2 2 302.462 3.008 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271521784 432413099 /nfs/dbraw/zinc/41/30/99/432413099.db2.gz OMQJEBLHYYYOOF-SJORKVTESA-N 2 2 317.477 3.234 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000175321809 432423803 /nfs/dbraw/zinc/42/38/03/432423803.db2.gz GAVYYUAJXHVAOD-KKUMJFAQSA-N 2 2 312.417 3.072 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000262095824 432472679 /nfs/dbraw/zinc/47/26/79/432472679.db2.gz IJGPVWWFWCJACF-JYPHPWERSA-N 2 2 302.462 3.069 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@@H]1[NH3+] ZINC000262089322 432473648 /nfs/dbraw/zinc/47/36/48/432473648.db2.gz URDFTCYGAUYNOB-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@@H]1[NH3+] ZINC000262089322 432473652 /nfs/dbraw/zinc/47/36/52/432473652.db2.gz URDFTCYGAUYNOB-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP Fc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000262086870 432473885 /nfs/dbraw/zinc/47/38/85/432473885.db2.gz GFKZREJARVLJNQ-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000262086870 432473889 /nfs/dbraw/zinc/47/38/89/432473889.db2.gz GFKZREJARVLJNQ-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)([NH+](C)C)C1 ZINC000262132014 432475569 /nfs/dbraw/zinc/47/55/69/432475569.db2.gz LNSHYLPCWDMQAN-NNIGNNQHSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000185198640 432476775 /nfs/dbraw/zinc/47/67/75/432476775.db2.gz LBRUHOILJZKKEP-DLBZAZTESA-N 2 2 317.477 3.232 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCSCC1)C1CC1 ZINC000185224383 432479786 /nfs/dbraw/zinc/47/97/86/432479786.db2.gz BPTDBQTYRJDEJG-GOSISDBHSA-N 2 2 304.503 3.382 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCSCC1)C1CC1 ZINC000185224383 432479790 /nfs/dbraw/zinc/47/97/90/432479790.db2.gz BPTDBQTYRJDEJG-GOSISDBHSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000262391916 432485181 /nfs/dbraw/zinc/48/51/81/432485181.db2.gz BIMJYXQQLIDKBW-HZPDHXFCSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000262391916 432485185 /nfs/dbraw/zinc/48/51/85/432485185.db2.gz BIMJYXQQLIDKBW-HZPDHXFCSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2ccccc12 ZINC000262454721 432486157 /nfs/dbraw/zinc/48/61/57/432486157.db2.gz IBTVNVMKKZLZMN-SFHVURJKSA-N 2 2 315.848 3.382 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2ccccc12 ZINC000262454721 432486160 /nfs/dbraw/zinc/48/61/60/432486160.db2.gz IBTVNVMKKZLZMN-SFHVURJKSA-N 2 2 315.848 3.382 20 0 DGADLP C[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000262419616 432486728 /nfs/dbraw/zinc/48/67/28/432486728.db2.gz DWIYKEBXSLQRDG-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000262419616 432486733 /nfs/dbraw/zinc/48/67/33/432486733.db2.gz DWIYKEBXSLQRDG-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(SC2CCCC2)cc1 ZINC000154386124 432495300 /nfs/dbraw/zinc/49/53/00/432495300.db2.gz TXGDUIDYVSHSGM-HOCLYGCPSA-N 2 2 322.518 3.294 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)ccc2n1C ZINC000154068867 432470272 /nfs/dbraw/zinc/47/02/72/432470272.db2.gz BWBQPRXHEQPGBX-XQQFMLRXSA-N 2 2 314.433 3.082 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)ccc2n1C ZINC000154068867 432470275 /nfs/dbraw/zinc/47/02/75/432470275.db2.gz BWBQPRXHEQPGBX-XQQFMLRXSA-N 2 2 314.433 3.082 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262035838 432470456 /nfs/dbraw/zinc/47/04/56/432470456.db2.gz OOGPEPJCAVHCIH-SFHVURJKSA-N 2 2 319.880 3.126 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262035838 432470460 /nfs/dbraw/zinc/47/04/60/432470460.db2.gz OOGPEPJCAVHCIH-SFHVURJKSA-N 2 2 319.880 3.126 20 0 DGADLP C[C@H](CC[NH2+]Cc1nc(-c2ccccc2)c[nH]1)[NH+]1CCCCC1 ZINC000194415712 432549132 /nfs/dbraw/zinc/54/91/32/432549132.db2.gz MLUNAARGIFEOTD-MRXNPFEDSA-N 2 2 312.461 3.431 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4c(F)cccc4F)o3)C[C@@H]2C1 ZINC000194541955 432560054 /nfs/dbraw/zinc/56/00/54/432560054.db2.gz CIECQEGPWOAAFY-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4c(F)cccc4F)o3)C[C@@H]2C1 ZINC000194541955 432560057 /nfs/dbraw/zinc/56/00/57/432560057.db2.gz CIECQEGPWOAAFY-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4c(F)cccc4F)o3)C[C@@H]2C1 ZINC000194541955 432560061 /nfs/dbraw/zinc/56/00/61/432560061.db2.gz CIECQEGPWOAAFY-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4c(F)cccc4F)o3)C[C@@H]2C1 ZINC000194541955 432560063 /nfs/dbraw/zinc/56/00/63/432560063.db2.gz CIECQEGPWOAAFY-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000263650801 432562358 /nfs/dbraw/zinc/56/23/58/432562358.db2.gz BRHJIQNSXTXCJX-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000263650801 432562359 /nfs/dbraw/zinc/56/23/59/432562359.db2.gz BRHJIQNSXTXCJX-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000263027465 432514524 /nfs/dbraw/zinc/51/45/24/432514524.db2.gz ROPYLFZTMWEAEZ-UHFFFAOYSA-N 2 2 320.458 3.116 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000263027465 432514527 /nfs/dbraw/zinc/51/45/27/432514527.db2.gz ROPYLFZTMWEAEZ-UHFFFAOYSA-N 2 2 320.458 3.116 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000176393712 432517602 /nfs/dbraw/zinc/51/76/02/432517602.db2.gz SMLQLEHDLQXUOX-INIZCTEOSA-N 2 2 301.434 3.280 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194036041 432518200 /nfs/dbraw/zinc/51/82/00/432518200.db2.gz OERGMPSUGVPIPD-JCHJZTRSSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194036041 432518206 /nfs/dbraw/zinc/51/82/06/432518206.db2.gz OERGMPSUGVPIPD-JCHJZTRSSA-N 2 2 314.473 3.054 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000415084908 281835705 /nfs/dbraw/zinc/83/57/05/281835705.db2.gz PEWXTWDMWIBMHQ-JCYILVPMSA-N 3 2 321.534 3.381 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1C ZINC000273063037 432545079 /nfs/dbraw/zinc/54/50/79/432545079.db2.gz LQWYZBTYJWBGIA-HNNXBMFYSA-N 2 2 322.412 3.435 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)C[NH+]1CCOCC1 ZINC000177357696 432615729 /nfs/dbraw/zinc/61/57/29/432615729.db2.gz CJCYSBDCGCRECQ-SJORKVTESA-N 2 2 312.457 3.459 20 0 DGADLP c1coc([C@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCCC2)c1 ZINC000263757341 432574158 /nfs/dbraw/zinc/57/41/58/432574158.db2.gz HQGAFTLSGFZTTD-AWEZNQCLSA-N 2 2 311.389 3.190 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C3(c4ccccc4)CCC3)cn2)c[nH+]1 ZINC000176998289 432574532 /nfs/dbraw/zinc/57/45/32/432574532.db2.gz GSKDGPNSRXJABZ-UHFFFAOYSA-N 2 2 304.397 3.436 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC2CCOCC2)CC1 ZINC000279849336 282077779 /nfs/dbraw/zinc/07/77/79/282077779.db2.gz RSEAEFNVLFSFFW-UHFFFAOYSA-N 2 2 313.445 3.408 20 0 DGADLP Cc1cc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)cc[nH+]1 ZINC000274335532 432654662 /nfs/dbraw/zinc/65/46/62/432654662.db2.gz GVMVHNNPHSZLSG-GOSISDBHSA-N 2 2 315.392 3.015 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000178102136 432695162 /nfs/dbraw/zinc/69/51/62/432695162.db2.gz MWHYLSRLYDSDEV-YOEHRIQHSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102136 432695165 /nfs/dbraw/zinc/69/51/65/432695165.db2.gz MWHYLSRLYDSDEV-YOEHRIQHSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@H](C[NH2+]C[C@H](C)c1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000188016548 432698468 /nfs/dbraw/zinc/69/84/68/432698468.db2.gz HAIORKRFLNSAIX-CABCVRRESA-N 2 2 310.869 3.001 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)C[N@@H+]1C1CC1 ZINC000188125725 432706003 /nfs/dbraw/zinc/70/60/03/432706003.db2.gz GSFAEDRCAJMAJF-DLBZAZTESA-N 2 2 302.462 3.451 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)C[N@H+]1C1CC1 ZINC000188125725 432706006 /nfs/dbraw/zinc/70/60/06/432706006.db2.gz GSFAEDRCAJMAJF-DLBZAZTESA-N 2 2 302.462 3.451 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788763 432709084 /nfs/dbraw/zinc/70/90/84/432709084.db2.gz NHRWXBDVELDLNG-XHDPSFHLSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788763 432709085 /nfs/dbraw/zinc/70/90/85/432709085.db2.gz NHRWXBDVELDLNG-XHDPSFHLSA-N 2 2 323.799 3.115 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000178309670 432718655 /nfs/dbraw/zinc/71/86/55/432718655.db2.gz YWANYZKYANEHAP-KGLIPLIRSA-N 2 2 303.475 3.474 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332475 432722437 /nfs/dbraw/zinc/72/24/37/432722437.db2.gz PWONNPFIWPWXEZ-WMZOPIPTSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332475 432722440 /nfs/dbraw/zinc/72/24/40/432722440.db2.gz PWONNPFIWPWXEZ-WMZOPIPTSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@H]1CCN(c2cc[nH+]cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000274948974 432722691 /nfs/dbraw/zinc/72/26/91/432722691.db2.gz UXHHEWNRQXLMAB-RISCZKNCSA-N 2 2 321.222 3.128 20 0 DGADLP CC(C)C[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+](C)C ZINC000187745051 432681182 /nfs/dbraw/zinc/68/11/82/432681182.db2.gz NZQVCHZIFZOEMR-SJORKVTESA-N 2 2 318.440 3.204 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600302 432687997 /nfs/dbraw/zinc/68/79/97/432687997.db2.gz QXTCDACIUCFDTC-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600302 432688003 /nfs/dbraw/zinc/68/80/03/432688003.db2.gz QXTCDACIUCFDTC-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600302 432688006 /nfs/dbraw/zinc/68/80/06/432688006.db2.gz QXTCDACIUCFDTC-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600302 432688011 /nfs/dbraw/zinc/68/80/11/432688011.db2.gz QXTCDACIUCFDTC-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP c1csc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000275829498 432751784 /nfs/dbraw/zinc/75/17/84/432751784.db2.gz WSEFULQPTKOQCE-INIZCTEOSA-N 2 2 301.459 3.287 20 0 DGADLP c1csc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000275829498 432751786 /nfs/dbraw/zinc/75/17/86/432751786.db2.gz WSEFULQPTKOQCE-INIZCTEOSA-N 2 2 301.459 3.287 20 0 DGADLP c1csc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000275829500 432752259 /nfs/dbraw/zinc/75/22/59/432752259.db2.gz WSEFULQPTKOQCE-MRXNPFEDSA-N 2 2 301.459 3.287 20 0 DGADLP c1csc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000275829500 432752265 /nfs/dbraw/zinc/75/22/65/432752265.db2.gz WSEFULQPTKOQCE-MRXNPFEDSA-N 2 2 301.459 3.287 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000276207436 432782364 /nfs/dbraw/zinc/78/23/64/432782364.db2.gz JUYJOERAXOLXEQ-HNNXBMFYSA-N 2 2 309.413 3.002 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000236711298 432759626 /nfs/dbraw/zinc/75/96/26/432759626.db2.gz NLUBMVTXBZZFGR-LJQANCHMSA-N 2 2 313.489 3.145 20 0 DGADLP [NH3+]Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)o1 ZINC000178658157 432763125 /nfs/dbraw/zinc/76/31/25/432763125.db2.gz UWSMOLGVXHKDAN-UHFFFAOYSA-N 2 2 324.384 3.067 20 0 DGADLP CC[N@H+](C)C[C@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000276203096 432782634 /nfs/dbraw/zinc/78/26/34/432782634.db2.gz IZFDNLORJASCDK-OAHLLOKOSA-N 2 2 313.445 3.330 20 0 DGADLP CC[N@@H+](C)C[C@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000276203096 432782637 /nfs/dbraw/zinc/78/26/37/432782637.db2.gz IZFDNLORJASCDK-OAHLLOKOSA-N 2 2 313.445 3.330 20 0 DGADLP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000266611197 432771210 /nfs/dbraw/zinc/77/12/10/432771210.db2.gz WMZBCKMKMTXSJD-MAUKXSAKSA-N 2 2 322.880 3.181 20 0 DGADLP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000266611197 432771215 /nfs/dbraw/zinc/77/12/15/432771215.db2.gz WMZBCKMKMTXSJD-MAUKXSAKSA-N 2 2 322.880 3.181 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000178433939 432734762 /nfs/dbraw/zinc/73/47/62/432734762.db2.gz XJEQAVOOCWEXHY-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000178433939 432734765 /nfs/dbraw/zinc/73/47/65/432734765.db2.gz XJEQAVOOCWEXHY-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000265823449 432735155 /nfs/dbraw/zinc/73/51/55/432735155.db2.gz IWMGZEYOCYKKIC-HNNXBMFYSA-N 2 2 321.428 3.059 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000265823449 432735159 /nfs/dbraw/zinc/73/51/59/432735159.db2.gz IWMGZEYOCYKKIC-HNNXBMFYSA-N 2 2 321.428 3.059 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000235150973 432742303 /nfs/dbraw/zinc/74/23/03/432742303.db2.gz PIBYWHFIUIHRPG-STQMWFEESA-N 2 2 322.250 3.255 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000161517113 432783469 /nfs/dbraw/zinc/78/34/69/432783469.db2.gz TUTKUTVUURJIAN-SNVBAGLBSA-N 2 2 302.340 3.172 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000245505871 432838342 /nfs/dbraw/zinc/83/83/42/432838342.db2.gz MVHNRYJUZRCJOX-LESCRADOSA-N 2 2 302.462 3.101 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000161813489 432798602 /nfs/dbraw/zinc/79/86/02/432798602.db2.gz NZGOPFZDBKAEKC-YOEHRIQHSA-N 2 2 311.473 3.488 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000161813489 432798606 /nfs/dbraw/zinc/79/86/06/432798606.db2.gz NZGOPFZDBKAEKC-YOEHRIQHSA-N 2 2 311.473 3.488 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100262 432813458 /nfs/dbraw/zinc/81/34/58/432813458.db2.gz TZKGAKVIETWOMI-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100262 432813462 /nfs/dbraw/zinc/81/34/62/432813462.db2.gz TZKGAKVIETWOMI-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100262 432813465 /nfs/dbraw/zinc/81/34/65/432813465.db2.gz TZKGAKVIETWOMI-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100262 432813466 /nfs/dbraw/zinc/81/34/66/432813466.db2.gz TZKGAKVIETWOMI-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)n1-c1ccccc1 ZINC000245788103 432862987 /nfs/dbraw/zinc/86/29/87/432862987.db2.gz VOTQRNMCYJWTKS-LPHOPBHVSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)n1-c1ccccc1 ZINC000245788103 432862988 /nfs/dbraw/zinc/86/29/88/432862988.db2.gz VOTQRNMCYJWTKS-LPHOPBHVSA-N 2 2 311.429 3.182 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2F)CCCO1 ZINC000277663358 432867950 /nfs/dbraw/zinc/86/79/50/432867950.db2.gz FPKNOSKFMDUBPA-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2F)CCCO1 ZINC000277663358 432867952 /nfs/dbraw/zinc/86/79/52/432867952.db2.gz FPKNOSKFMDUBPA-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000245954134 432872151 /nfs/dbraw/zinc/87/21/51/432872151.db2.gz CLDWHCLQUSTHOY-CHWSQXEVSA-N 2 2 320.868 3.219 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000245954134 432872152 /nfs/dbraw/zinc/87/21/52/432872152.db2.gz CLDWHCLQUSTHOY-CHWSQXEVSA-N 2 2 320.868 3.219 20 0 DGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1 ZINC000296241883 432887718 /nfs/dbraw/zinc/88/77/18/432887718.db2.gz COAVVDHMXBQORF-NPYXIHBLSA-N 2 2 308.853 3.242 20 0 DGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000296241883 432887723 /nfs/dbraw/zinc/88/77/23/432887723.db2.gz COAVVDHMXBQORF-NPYXIHBLSA-N 2 2 308.853 3.242 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000277386825 432844456 /nfs/dbraw/zinc/84/44/56/432844456.db2.gz GROWUKJWXHNXAI-HNNXBMFYSA-N 2 2 316.424 3.132 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000277386825 432844458 /nfs/dbraw/zinc/84/44/58/432844458.db2.gz GROWUKJWXHNXAI-HNNXBMFYSA-N 2 2 316.424 3.132 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000277394608 432845539 /nfs/dbraw/zinc/84/55/39/432845539.db2.gz ZAMKOOOQGWMKKB-AWEZNQCLSA-N 2 2 324.852 3.027 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000277394608 432845542 /nfs/dbraw/zinc/84/55/42/432845542.db2.gz ZAMKOOOQGWMKKB-AWEZNQCLSA-N 2 2 324.852 3.027 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000245623804 432850423 /nfs/dbraw/zinc/85/04/23/432850423.db2.gz PLQBHCKNNXKYBH-ZKXLYKBJSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000245623804 432850425 /nfs/dbraw/zinc/85/04/25/432850425.db2.gz PLQBHCKNNXKYBH-ZKXLYKBJSA-N 2 2 306.494 3.044 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000278992016 432924559 /nfs/dbraw/zinc/92/45/59/432924559.db2.gz QFWRDIQWWWXRCT-LNSITVRQSA-N 2 2 320.462 3.064 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCn3cc[nH+]c3)nc2c1 ZINC000289343222 432947563 /nfs/dbraw/zinc/94/75/63/432947563.db2.gz MDLHEFREWVZOOB-KRWDZBQOSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCn3cc[nH+]c3)nc2c1 ZINC000289343222 432947567 /nfs/dbraw/zinc/94/75/67/432947567.db2.gz MDLHEFREWVZOOB-KRWDZBQOSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCCn3cc[nH+]c3)[nH]c2c1 ZINC000289343222 432947570 /nfs/dbraw/zinc/94/75/70/432947570.db2.gz MDLHEFREWVZOOB-KRWDZBQOSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@H+]3CCCn3cc[nH+]c3)[nH]c2c1 ZINC000289343222 432947573 /nfs/dbraw/zinc/94/75/73/432947573.db2.gz MDLHEFREWVZOOB-KRWDZBQOSA-N 2 2 309.417 3.295 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000279243292 432948253 /nfs/dbraw/zinc/94/82/53/432948253.db2.gz KJOGDSYVJKUZIO-ZDUSSCGKSA-N 2 2 314.414 3.201 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000279243291 432948546 /nfs/dbraw/zinc/94/85/46/432948546.db2.gz KJOGDSYVJKUZIO-CYBMUJFWSA-N 2 2 314.414 3.201 20 0 DGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000296423466 432906512 /nfs/dbraw/zinc/90/65/12/432906512.db2.gz MVPNIWVASWVYNP-MDZRGWNJSA-N 2 2 301.478 3.460 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000296487942 432913920 /nfs/dbraw/zinc/91/39/20/432913920.db2.gz PMSJKNDUFSSHCZ-ZWKOTPCHSA-N 2 2 324.472 3.218 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000296487942 432913923 /nfs/dbraw/zinc/91/39/23/432913923.db2.gz PMSJKNDUFSSHCZ-ZWKOTPCHSA-N 2 2 324.472 3.218 20 0 DGADLP Clc1ccccc1N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000289045111 432916244 /nfs/dbraw/zinc/91/62/44/432916244.db2.gz BSJZXMXASRNSND-UHFFFAOYSA-N 2 2 318.852 3.139 20 0 DGADLP Clc1ccccc1N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000289045111 432916248 /nfs/dbraw/zinc/91/62/48/432916248.db2.gz BSJZXMXASRNSND-UHFFFAOYSA-N 2 2 318.852 3.139 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000297265949 432984195 /nfs/dbraw/zinc/98/41/95/432984195.db2.gz KKGJAWGJJRBEMU-JTDSTZFVSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000297265949 432984199 /nfs/dbraw/zinc/98/41/99/432984199.db2.gz KKGJAWGJJRBEMU-JTDSTZFVSA-N 2 2 302.462 3.061 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000290060073 432986685 /nfs/dbraw/zinc/98/66/85/432986685.db2.gz FOCMBZYLTJVTFY-WBVHZDCISA-N 2 2 300.450 3.209 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000290060073 432986688 /nfs/dbraw/zinc/98/66/88/432986688.db2.gz FOCMBZYLTJVTFY-WBVHZDCISA-N 2 2 300.450 3.209 20 0 DGADLP Cc1nn(C)cc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279671177 432990449 /nfs/dbraw/zinc/99/04/49/432990449.db2.gz HRKLUJUVESIDTC-UHFFFAOYSA-N 2 2 323.444 3.224 20 0 DGADLP Fc1ccc2c(c1)onc2C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000289371019 432951801 /nfs/dbraw/zinc/95/18/01/432951801.db2.gz BJGXHWVJABYSKA-UHFFFAOYSA-N 2 2 314.364 3.043 20 0 DGADLP CC(C)COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000349424063 432959682 /nfs/dbraw/zinc/95/96/82/432959682.db2.gz YGKXASBIMSTZKM-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP CC(C)COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000349424063 432959685 /nfs/dbraw/zinc/95/96/85/432959685.db2.gz YGKXASBIMSTZKM-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808598 432962359 /nfs/dbraw/zinc/96/23/59/432962359.db2.gz NCPCRYFOYMPJNG-OLZOCXBDSA-N 2 2 320.462 3.343 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808598 432962364 /nfs/dbraw/zinc/96/23/64/432962364.db2.gz NCPCRYFOYMPJNG-OLZOCXBDSA-N 2 2 320.462 3.343 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000349975468 433045259 /nfs/dbraw/zinc/04/52/59/433045259.db2.gz SMZJEZZWFSSBFG-UHFFFAOYSA-N 2 2 306.498 3.171 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000349975468 433045264 /nfs/dbraw/zinc/04/52/64/433045264.db2.gz SMZJEZZWFSSBFG-UHFFFAOYSA-N 2 2 306.498 3.171 20 0 DGADLP CC(C)C(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290277630 433025255 /nfs/dbraw/zinc/02/52/55/433025255.db2.gz LZPAEWZZIOUNSS-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290277630 433025260 /nfs/dbraw/zinc/02/52/60/433025260.db2.gz LZPAEWZZIOUNSS-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290277630 433025261 /nfs/dbraw/zinc/02/52/61/433025261.db2.gz LZPAEWZZIOUNSS-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290277630 433025266 /nfs/dbraw/zinc/02/52/66/433025266.db2.gz LZPAEWZZIOUNSS-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000297938555 433033580 /nfs/dbraw/zinc/03/35/80/433033580.db2.gz VAAHYAQIWYVLBZ-UHFFFAOYSA-N 2 2 301.409 3.056 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341361112 433038446 /nfs/dbraw/zinc/03/84/46/433038446.db2.gz FQOGPALQIKGKBU-NFOMZHRRSA-N 2 2 322.415 3.056 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000349959251 433040736 /nfs/dbraw/zinc/04/07/36/433040736.db2.gz CZLZVQLGAHKGLN-SOLBZPMBSA-N 2 2 305.466 3.219 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000349959251 433040739 /nfs/dbraw/zinc/04/07/39/433040739.db2.gz CZLZVQLGAHKGLN-SOLBZPMBSA-N 2 2 305.466 3.219 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000155665203 292712858 /nfs/dbraw/zinc/71/28/58/292712858.db2.gz FWRXRPOGDXQMGG-HXUWFJFHSA-N 2 2 321.424 3.465 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2cccnc2)c1 ZINC000290416395 433048193 /nfs/dbraw/zinc/04/81/93/433048193.db2.gz KKDRRRFFDDOVRZ-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2cccnc2)c1 ZINC000290416395 433048197 /nfs/dbraw/zinc/04/81/97/433048197.db2.gz KKDRRRFFDDOVRZ-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP Cc1ccc(CCC[NH2+]C2CC[NH+](C3CCCC3)CC2)c[nH+]1 ZINC000354390146 433055201 /nfs/dbraw/zinc/05/52/01/433055201.db2.gz BCLYZUAUXDTDOK-UHFFFAOYSA-N 3 2 301.478 3.319 20 0 DGADLP Cc1cc[nH+]c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000290473561 433063824 /nfs/dbraw/zinc/06/38/24/433063824.db2.gz APVDAWHHODNIJU-MRXNPFEDSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1cc[nH+]c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000290473561 433063830 /nfs/dbraw/zinc/06/38/30/433063830.db2.gz APVDAWHHODNIJU-MRXNPFEDSA-N 2 2 311.429 3.223 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)n1C ZINC000419737500 433065733 /nfs/dbraw/zinc/06/57/33/433065733.db2.gz YHOMDUIQCLGMRF-KBPBESRZSA-N 2 2 316.424 3.051 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(O)c1OC ZINC000290515019 433074216 /nfs/dbraw/zinc/07/42/16/433074216.db2.gz PURMCQVXXMUCIP-UHFFFAOYSA-N 2 2 317.433 3.072 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000280567693 433089752 /nfs/dbraw/zinc/08/97/52/433089752.db2.gz VTAIKIZZWCFWKM-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000280567693 433089765 /nfs/dbraw/zinc/08/97/65/433089765.db2.gz VTAIKIZZWCFWKM-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP Cc1ccc(CCC[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)cn1 ZINC000354454710 433093588 /nfs/dbraw/zinc/09/35/88/433093588.db2.gz FVQVSXVQWAIXRQ-UHFFFAOYSA-N 2 2 323.484 3.011 20 0 DGADLP Cc1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280647484 433123237 /nfs/dbraw/zinc/12/32/37/433123237.db2.gz ZWBJHVBBWVQSDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280647484 433123246 /nfs/dbraw/zinc/12/32/46/433123246.db2.gz ZWBJHVBBWVQSDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280647484 433123248 /nfs/dbraw/zinc/12/32/48/433123248.db2.gz ZWBJHVBBWVQSDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280647484 433123258 /nfs/dbraw/zinc/12/32/58/433123258.db2.gz ZWBJHVBBWVQSDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP COCC[N@H+](C)CCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341551916 433127234 /nfs/dbraw/zinc/12/72/34/433127234.db2.gz RRPWWCJOTIXCCV-UHFFFAOYSA-N 2 2 307.825 3.268 20 0 DGADLP COCC[N@@H+](C)CCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341551916 433127242 /nfs/dbraw/zinc/12/72/42/433127242.db2.gz RRPWWCJOTIXCCV-UHFFFAOYSA-N 2 2 307.825 3.268 20 0 DGADLP CC(C)c1nc(N2CC[C@]3(CC[NH2+]C3)C2)cc(C(C)(C)C)[nH+]1 ZINC000420231332 433129589 /nfs/dbraw/zinc/12/95/89/433129589.db2.gz RPUBYOSAQYKTNV-SFHVURJKSA-N 2 2 302.466 3.087 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420230602 433130454 /nfs/dbraw/zinc/13/04/54/433130454.db2.gz QIIAKWBYJQKRRE-MELADBBJSA-N 2 2 302.466 3.071 20 0 DGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420226268 433130475 /nfs/dbraw/zinc/13/04/75/433130475.db2.gz GLIAUWPDSPHHCM-MRXNPFEDSA-N 2 2 321.346 3.443 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]C[C@@H]2CCC=CO2)c[nH+]1 ZINC000290663328 433134292 /nfs/dbraw/zinc/13/42/92/433134292.db2.gz ZUWBKGWESBMAMJ-YTQUADARSA-N 2 2 309.413 3.394 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000373225215 433135327 /nfs/dbraw/zinc/13/53/27/433135327.db2.gz DCSYMWKKRHCSFT-KRWDZBQOSA-N 2 2 309.413 3.076 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000373225215 433135334 /nfs/dbraw/zinc/13/53/34/433135334.db2.gz DCSYMWKKRHCSFT-KRWDZBQOSA-N 2 2 309.413 3.076 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422731166 289463793 /nfs/dbraw/zinc/46/37/93/289463793.db2.gz GLUKBQTXVPDMCN-IEBWSBKVSA-N 3 2 303.494 3.177 20 0 DGADLP CC(C)c1nc(N2CCC3(CC[NH2+]C3)CC2)cc(C(C)(C)C)[nH+]1 ZINC000420259602 433136758 /nfs/dbraw/zinc/13/67/58/433136758.db2.gz LYSLOOHVQNOYER-UHFFFAOYSA-N 2 2 316.493 3.477 20 0 DGADLP CC[C@@H](O)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000361366037 433137178 /nfs/dbraw/zinc/13/71/78/433137178.db2.gz NPJBVOMMYBPBFL-GOSISDBHSA-N 2 2 324.896 3.445 20 0 DGADLP CC(C)c1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(C(C)C)[nH+]1 ZINC000420254422 433137832 /nfs/dbraw/zinc/13/78/32/433137832.db2.gz ROJFUTUEWHRVIA-SFHVURJKSA-N 2 2 302.466 3.303 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305099 433154630 /nfs/dbraw/zinc/15/46/30/433154630.db2.gz JSFZRFNEUIMAGY-WDEREUQCSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305099 433154638 /nfs/dbraw/zinc/15/46/38/433154638.db2.gz JSFZRFNEUIMAGY-WDEREUQCSA-N 2 2 323.412 3.257 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000354566887 433149279 /nfs/dbraw/zinc/14/92/79/433149279.db2.gz MYLAZUHARXPZOW-INIZCTEOSA-N 2 2 317.408 3.143 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000354566887 433149291 /nfs/dbraw/zinc/14/92/91/433149291.db2.gz MYLAZUHARXPZOW-INIZCTEOSA-N 2 2 317.408 3.143 20 0 DGADLP Cc1cc(CNc2[nH+]c3ccccc3n2C)cc(N2CCCC2)[nH+]1 ZINC000290728244 433153582 /nfs/dbraw/zinc/15/35/82/433153582.db2.gz ASTVKSIBUZIHBX-UHFFFAOYSA-N 2 2 321.428 3.489 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446757784 433104108 /nfs/dbraw/zinc/10/41/08/433104108.db2.gz WFHAFCCFUOHLLO-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446757784 433104122 /nfs/dbraw/zinc/10/41/22/433104122.db2.gz WFHAFCCFUOHLLO-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC[NH+](CC)[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000350175154 433105553 /nfs/dbraw/zinc/10/55/53/433105553.db2.gz GCVUCTDDOKNTRO-SFHVURJKSA-N 2 2 322.412 3.356 20 0 DGADLP C(c1noc(C2CCCCC2)n1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333823580 433110834 /nfs/dbraw/zinc/11/08/34/433110834.db2.gz IBHKCYHVJXHFEQ-MRXNPFEDSA-N 2 2 318.465 3.081 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1OC ZINC000354660795 433208866 /nfs/dbraw/zinc/20/88/66/433208866.db2.gz LWOCGQYGAYMAKF-AESZEHBQSA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1OC ZINC000354660795 433208873 /nfs/dbraw/zinc/20/88/73/433208873.db2.gz LWOCGQYGAYMAKF-AESZEHBQSA-N 2 2 320.477 3.268 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000341596835 433156458 /nfs/dbraw/zinc/15/64/58/433156458.db2.gz RQRJOYQEVSTDCF-UHFFFAOYSA-N 2 2 316.489 3.412 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000354574591 433158354 /nfs/dbraw/zinc/15/83/54/433158354.db2.gz OLELFUYRMZPLQQ-UHFFFAOYSA-N 2 2 312.461 3.145 20 0 DGADLP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)O1 ZINC000453408900 433162795 /nfs/dbraw/zinc/16/27/95/433162795.db2.gz NYBCBEQGDYJHET-YOEHRIQHSA-N 2 2 322.880 3.462 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000280762648 433165511 /nfs/dbraw/zinc/16/55/11/433165511.db2.gz DPSAADNCYBZIES-KFWWJZLASA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000280762648 433165519 /nfs/dbraw/zinc/16/55/19/433165519.db2.gz DPSAADNCYBZIES-KFWWJZLASA-N 2 2 320.477 3.268 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1nc2ccccc2n1C(F)F ZINC000420356590 433175707 /nfs/dbraw/zinc/17/57/07/433175707.db2.gz CTYQMRHCQTVNNF-OXJKWZBOSA-N 2 2 322.403 3.469 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H](C[NH3+])C1 ZINC000420347657 433175835 /nfs/dbraw/zinc/17/58/35/433175835.db2.gz ZAHGNJMUMXSHHR-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H](C[NH3+])C1 ZINC000420347657 433175841 /nfs/dbraw/zinc/17/58/41/433175841.db2.gz ZAHGNJMUMXSHHR-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP Cc1cccc(C2=CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)CC2)c1 ZINC000425340166 433176469 /nfs/dbraw/zinc/17/64/69/433176469.db2.gz DODQHQPCIHCFGN-UHFFFAOYSA-N 2 2 310.445 3.084 20 0 DGADLP Cc1cccc(C2=CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)CC2)c1 ZINC000425340166 433176479 /nfs/dbraw/zinc/17/64/79/433176479.db2.gz DODQHQPCIHCFGN-UHFFFAOYSA-N 2 2 310.445 3.084 20 0 DGADLP CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420357515 433178225 /nfs/dbraw/zinc/17/82/25/433178225.db2.gz HZYMKJBENOLSDO-SFHVURJKSA-N 2 2 317.477 3.246 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)CC1CCCCC1 ZINC000425342797 433179204 /nfs/dbraw/zinc/17/92/04/433179204.db2.gz AVOYUDJXYQPYNY-UHFFFAOYSA-N 2 2 306.498 3.408 20 0 DGADLP CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420365947 433184024 /nfs/dbraw/zinc/18/40/24/433184024.db2.gz QOWCLOCSQKABAG-HNNXBMFYSA-N 2 2 318.417 3.073 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C[C@H]1[NH3+] ZINC000420362788 433184425 /nfs/dbraw/zinc/18/44/25/433184425.db2.gz HUNOBAMLKJQWMA-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C[C@H]1[NH3+] ZINC000420362788 433184430 /nfs/dbraw/zinc/18/44/30/433184430.db2.gz HUNOBAMLKJQWMA-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)CCO2 ZINC000354625499 433184630 /nfs/dbraw/zinc/18/46/30/433184630.db2.gz GINIDUZDFPTEIP-GOSISDBHSA-N 2 2 312.413 3.445 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420378900 433186301 /nfs/dbraw/zinc/18/63/01/433186301.db2.gz QTPAGVGQRKUPQE-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420378900 433186304 /nfs/dbraw/zinc/18/63/04/433186304.db2.gz QTPAGVGQRKUPQE-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)C1CCCCC1 ZINC000420371379 433186832 /nfs/dbraw/zinc/18/68/32/433186832.db2.gz PJUQEAKGRHTJDA-AWEZNQCLSA-N 2 2 301.356 3.098 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)C1CCCCC1 ZINC000420377413 433187307 /nfs/dbraw/zinc/18/73/07/433187307.db2.gz WHASALHDQDBLIG-CQSZACIVSA-N 2 2 305.447 3.400 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CCCO1 ZINC000420381292 433190149 /nfs/dbraw/zinc/19/01/49/433190149.db2.gz CHLLSFZWOZJDNG-SFHVURJKSA-N 2 2 312.413 3.029 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CCCO1 ZINC000420381292 433190157 /nfs/dbraw/zinc/19/01/57/433190157.db2.gz CHLLSFZWOZJDNG-SFHVURJKSA-N 2 2 312.413 3.029 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+]C2(c3ccccc3)CCCCC2)n1 ZINC000420381056 433190301 /nfs/dbraw/zinc/19/03/01/433190301.db2.gz XIGWDHNCJUORNA-UHFFFAOYSA-N 2 2 314.433 3.213 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420385747 433192444 /nfs/dbraw/zinc/19/24/44/433192444.db2.gz FGSBZOIREYQRNP-KBPBESRZSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420385747 433192456 /nfs/dbraw/zinc/19/24/56/433192456.db2.gz FGSBZOIREYQRNP-KBPBESRZSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420385751 433194388 /nfs/dbraw/zinc/19/43/88/433194388.db2.gz FGSBZOIREYQRNP-UONOGXRCSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420385751 433194398 /nfs/dbraw/zinc/19/43/98/433194398.db2.gz FGSBZOIREYQRNP-UONOGXRCSA-N 2 2 317.458 3.367 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420399458 433196869 /nfs/dbraw/zinc/19/68/69/433196869.db2.gz HWEUPCSTHYDTJE-OWCLPIDISA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420399458 433196878 /nfs/dbraw/zinc/19/68/78/433196878.db2.gz HWEUPCSTHYDTJE-OWCLPIDISA-N 2 2 317.477 3.054 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000420409763 433201197 /nfs/dbraw/zinc/20/11/97/433201197.db2.gz QUKGCJQWDGMBCW-QEJZJMRPSA-N 2 2 314.433 3.023 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000420409763 433201209 /nfs/dbraw/zinc/20/12/09/433201209.db2.gz QUKGCJQWDGMBCW-QEJZJMRPSA-N 2 2 314.433 3.023 20 0 DGADLP CC(C)n1c[nH+]cc1CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000425377974 433211326 /nfs/dbraw/zinc/21/13/26/433211326.db2.gz IOIMPEBRRIFNBR-UHFFFAOYSA-N 2 2 316.449 3.153 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000425388212 433220101 /nfs/dbraw/zinc/22/01/01/433220101.db2.gz WEBJHYYRCMTTOE-KRWDZBQOSA-N 2 2 310.445 3.101 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000425388212 433220111 /nfs/dbraw/zinc/22/01/11/433220111.db2.gz WEBJHYYRCMTTOE-KRWDZBQOSA-N 2 2 310.445 3.101 20 0 DGADLP Cc1ccc(CCC[N@H+](Cc2cnn(C)c2)CC(C)C)c[nH+]1 ZINC000453612971 433238301 /nfs/dbraw/zinc/23/83/01/433238301.db2.gz MVAOKNSTBITARU-UHFFFAOYSA-N 2 2 300.450 3.214 20 0 DGADLP Cc1ccc(CCC[N@@H+](Cc2cnn(C)c2)CC(C)C)c[nH+]1 ZINC000453612971 433238310 /nfs/dbraw/zinc/23/83/10/433238310.db2.gz MVAOKNSTBITARU-UHFFFAOYSA-N 2 2 300.450 3.214 20 0 DGADLP CCc1nc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000341736621 433242470 /nfs/dbraw/zinc/24/24/70/433242470.db2.gz XEGUVDTUVIQPSB-OWCLPIDISA-N 2 2 302.466 3.189 20 0 DGADLP CCc1nc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000341736621 433242474 /nfs/dbraw/zinc/24/24/74/433242474.db2.gz XEGUVDTUVIQPSB-OWCLPIDISA-N 2 2 302.466 3.189 20 0 DGADLP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000350802082 433287330 /nfs/dbraw/zinc/28/73/30/433287330.db2.gz MLOKJFPARICXMO-QZTJIDSGSA-N 2 2 316.489 3.435 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccccc3C)CC2)c1 ZINC000361620278 433295596 /nfs/dbraw/zinc/29/55/96/433295596.db2.gz PWOBWSBWGIQEFC-MRXNPFEDSA-N 2 2 311.429 3.282 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420905295 433301485 /nfs/dbraw/zinc/30/14/85/433301485.db2.gz QWEXSVDSDJQCSG-FQEVSTJZSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[N@H+]2CCC[C@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420905295 433301498 /nfs/dbraw/zinc/30/14/98/433301498.db2.gz QWEXSVDSDJQCSG-FQEVSTJZSA-N 2 2 314.473 3.283 20 0 DGADLP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914605 433306255 /nfs/dbraw/zinc/30/62/55/433306255.db2.gz CKZUIIKZUUFAJA-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1[C@H](C)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914605 433306268 /nfs/dbraw/zinc/30/62/68/433306268.db2.gz CKZUIIKZUUFAJA-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000448020660 433346498 /nfs/dbraw/zinc/34/64/98/433346498.db2.gz DCBSDXXTZIXPDJ-RYRKJORJSA-N 2 2 318.509 3.156 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000448020660 433346507 /nfs/dbraw/zinc/34/65/07/433346507.db2.gz DCBSDXXTZIXPDJ-RYRKJORJSA-N 2 2 318.509 3.156 20 0 DGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CCC1 ZINC000420959860 433349365 /nfs/dbraw/zinc/34/93/65/433349365.db2.gz HEKCTPFUXZAVNO-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CCC1 ZINC000420959860 433349373 /nfs/dbraw/zinc/34/93/73/433349373.db2.gz HEKCTPFUXZAVNO-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000341907304 433350300 /nfs/dbraw/zinc/35/03/00/433350300.db2.gz NPAKVBPOUCBNBA-UHFFFAOYSA-N 2 2 305.466 3.223 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000448024282 433350634 /nfs/dbraw/zinc/35/06/34/433350634.db2.gz XMDGWVXWWASNNX-MWDXBVQZSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000448024282 433350648 /nfs/dbraw/zinc/35/06/48/433350648.db2.gz XMDGWVXWWASNNX-MWDXBVQZSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](C1CCC1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912177 433353673 /nfs/dbraw/zinc/35/36/73/433353673.db2.gz WDRVGECRKNKONU-XLIONFOSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H](C1CCC1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912177 433353675 /nfs/dbraw/zinc/35/36/75/433353675.db2.gz WDRVGECRKNKONU-XLIONFOSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H](C1CCC1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341912177 433353678 /nfs/dbraw/zinc/35/36/78/433353678.db2.gz WDRVGECRKNKONU-XLIONFOSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H](C1CCC1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341912177 433353679 /nfs/dbraw/zinc/35/36/79/433353679.db2.gz WDRVGECRKNKONU-XLIONFOSSA-N 2 2 316.489 3.398 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C2 ZINC000425929132 433377916 /nfs/dbraw/zinc/37/79/16/433377916.db2.gz UFQKOPPPKCYQQQ-IBGZPJMESA-N 2 2 324.468 3.274 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C2 ZINC000425929132 433377924 /nfs/dbraw/zinc/37/79/24/433377924.db2.gz UFQKOPPPKCYQQQ-IBGZPJMESA-N 2 2 324.468 3.274 20 0 DGADLP C[C@H]1CC(C)(C)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420973406 433361510 /nfs/dbraw/zinc/36/15/10/433361510.db2.gz NDRVVTLIDSGWHP-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]1CC(C)(C)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420973406 433361517 /nfs/dbraw/zinc/36/15/17/433361517.db2.gz NDRVVTLIDSGWHP-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414056600 433365453 /nfs/dbraw/zinc/36/54/53/433365453.db2.gz DPIPZTRHRBTLCT-OAHLLOKOSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414056600 433365461 /nfs/dbraw/zinc/36/54/61/433365461.db2.gz DPIPZTRHRBTLCT-OAHLLOKOSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1)C[NH+](C)C ZINC000425935193 433376383 /nfs/dbraw/zinc/37/63/83/433376383.db2.gz HERMVMLQQFCUKU-KSSFIOAISA-N 2 2 301.409 3.097 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)C[NH+](C)C ZINC000425935794 433376691 /nfs/dbraw/zinc/37/66/91/433376691.db2.gz JWAPAXHFCFIARJ-KBXCAEBGSA-N 2 2 301.409 3.097 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341874902 433331649 /nfs/dbraw/zinc/33/16/49/433331649.db2.gz KXFIAGLDIGWVST-LMMKCTJWSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341874902 433331658 /nfs/dbraw/zinc/33/16/58/433331658.db2.gz KXFIAGLDIGWVST-LMMKCTJWSA-N 2 2 302.462 3.150 20 0 DGADLP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1C ZINC000361670427 433334258 /nfs/dbraw/zinc/33/42/58/433334258.db2.gz IUPSOHFVJTWBGL-XJKSGUPXSA-N 2 2 315.465 3.253 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000341882421 433335397 /nfs/dbraw/zinc/33/53/97/433335397.db2.gz SKTQWOVDBADWSZ-GQAVTEOGSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000341882421 433335403 /nfs/dbraw/zinc/33/54/03/433335403.db2.gz SKTQWOVDBADWSZ-GQAVTEOGSA-N 2 2 320.864 3.242 20 0 DGADLP CC[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883265 433337073 /nfs/dbraw/zinc/33/70/73/433337073.db2.gz NTTMMIRQLLUNRV-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883265 433337081 /nfs/dbraw/zinc/33/70/81/433337081.db2.gz NTTMMIRQLLUNRV-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883265 433337090 /nfs/dbraw/zinc/33/70/90/433337090.db2.gz NTTMMIRQLLUNRV-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883265 433337101 /nfs/dbraw/zinc/33/71/01/433337101.db2.gz NTTMMIRQLLUNRV-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP COCC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361859744 433425987 /nfs/dbraw/zinc/42/59/87/433425987.db2.gz GUIIFYCXQDUCFX-UHFFFAOYSA-N 2 2 313.445 3.429 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(F)c1 ZINC000375322922 433429400 /nfs/dbraw/zinc/42/94/00/433429400.db2.gz WKOLHKYBZVDIHI-GFCCVEGCSA-N 2 2 303.381 3.218 20 0 DGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375322351 433429820 /nfs/dbraw/zinc/42/98/20/433429820.db2.gz SLSYBQLXINIQDJ-CQSZACIVSA-N 2 2 301.409 3.469 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@@H](C)[NH+]2CCCCCC2)n1 ZINC000351233646 433431011 /nfs/dbraw/zinc/43/10/11/433431011.db2.gz MAZJOAQLIBFGAD-CQSZACIVSA-N 2 2 300.406 3.301 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000414077566 433380365 /nfs/dbraw/zinc/38/03/65/433380365.db2.gz RETJKMREYKCOOK-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000354974470 433387008 /nfs/dbraw/zinc/38/70/08/433387008.db2.gz PWLPRONCCJWYIN-ZDUSSCGKSA-N 2 2 315.383 3.367 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000281820773 433395063 /nfs/dbraw/zinc/39/50/63/433395063.db2.gz ZPIAGAXVVKPBJU-SJORKVTESA-N 2 2 301.478 3.490 20 0 DGADLP CC[C@@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC[NH2+]C1 ZINC000361799225 433396644 /nfs/dbraw/zinc/39/66/44/433396644.db2.gz MVPSJLALWLZGIY-GOSISDBHSA-N 2 2 312.417 3.159 20 0 DGADLP c1ccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301079842 433405379 /nfs/dbraw/zinc/40/53/79/433405379.db2.gz KCJHYRZUKMYAME-GOSISDBHSA-N 2 2 322.412 3.048 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000375271571 433406732 /nfs/dbraw/zinc/40/67/32/433406732.db2.gz ZZKSMRPUHSGFRG-CYBMUJFWSA-N 2 2 315.417 3.087 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000426074920 433416119 /nfs/dbraw/zinc/41/61/19/433416119.db2.gz VXSDVDARYMVHIE-DLBZAZTESA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000426074920 433416128 /nfs/dbraw/zinc/41/61/28/433416128.db2.gz VXSDVDARYMVHIE-DLBZAZTESA-N 2 2 314.473 3.159 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000361877534 433434521 /nfs/dbraw/zinc/43/45/21/433434521.db2.gz ONVUQEMKKNNIDF-VQIMIIECSA-N 2 2 304.478 3.258 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CCO)c1ccccc1 ZINC000361876562 433434638 /nfs/dbraw/zinc/43/46/38/433434638.db2.gz FDZCVZGTGHBZSG-QMMLZNLJSA-N 2 2 324.468 3.220 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CCO)c1ccccc1 ZINC000361876562 433434645 /nfs/dbraw/zinc/43/46/45/433434645.db2.gz FDZCVZGTGHBZSG-QMMLZNLJSA-N 2 2 324.468 3.220 20 0 DGADLP Cc1cc(C)c(NC(=O)NC2CCC([NH+](C)C)CC2)c(C)[nH+]1 ZINC000421116359 433439477 /nfs/dbraw/zinc/43/94/77/433439477.db2.gz ROWOETNFGMECHA-UHFFFAOYSA-N 2 2 304.438 3.001 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055385 433443344 /nfs/dbraw/zinc/44/33/44/433443344.db2.gz BXJVRJPDDNUDQL-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055385 433443356 /nfs/dbraw/zinc/44/33/56/433443356.db2.gz BXJVRJPDDNUDQL-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055385 433443363 /nfs/dbraw/zinc/44/33/63/433443363.db2.gz BXJVRJPDDNUDQL-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055385 433443369 /nfs/dbraw/zinc/44/33/69/433443369.db2.gz BXJVRJPDDNUDQL-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000292084868 433454965 /nfs/dbraw/zinc/45/49/65/433454965.db2.gz GBDQZQLDMICNDT-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000292084868 433454971 /nfs/dbraw/zinc/45/49/71/433454971.db2.gz GBDQZQLDMICNDT-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCC ZINC000292084868 433454982 /nfs/dbraw/zinc/45/49/82/433454982.db2.gz GBDQZQLDMICNDT-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000292084868 433454991 /nfs/dbraw/zinc/45/49/91/433454991.db2.gz GBDQZQLDMICNDT-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000355103262 433464510 /nfs/dbraw/zinc/46/45/10/433464510.db2.gz FGRRVBNHAIPVHA-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000355103262 433464513 /nfs/dbraw/zinc/46/45/13/433464513.db2.gz FGRRVBNHAIPVHA-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000355103262 433464522 /nfs/dbraw/zinc/46/45/22/433464522.db2.gz FGRRVBNHAIPVHA-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CC(C)(C)O2 ZINC000355103262 433464527 /nfs/dbraw/zinc/46/45/27/433464527.db2.gz FGRRVBNHAIPVHA-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000282060522 433481822 /nfs/dbraw/zinc/48/18/22/433481822.db2.gz GTJZUMFHIQNCBF-QXAKKESOSA-N 2 2 304.478 3.393 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]12 ZINC000351487902 433527882 /nfs/dbraw/zinc/52/78/82/433527882.db2.gz DGWIVRJLLQAPDV-NUEKZKHPSA-N 2 2 305.491 3.360 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351500865 433534718 /nfs/dbraw/zinc/53/47/18/433534718.db2.gz XRMIXQKTYJMOQN-YVECIDJPSA-N 2 2 320.387 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351500865 433534730 /nfs/dbraw/zinc/53/47/30/433534730.db2.gz XRMIXQKTYJMOQN-YVECIDJPSA-N 2 2 320.387 3.162 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000355208391 433538280 /nfs/dbraw/zinc/53/82/80/433538280.db2.gz HTDLWIMIDWVYHE-WMLDXEAASA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000355208391 433538291 /nfs/dbraw/zinc/53/82/91/433538291.db2.gz HTDLWIMIDWVYHE-WMLDXEAASA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000355208391 433538297 /nfs/dbraw/zinc/53/82/97/433538297.db2.gz HTDLWIMIDWVYHE-WMLDXEAASA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000355208391 433538305 /nfs/dbraw/zinc/53/83/05/433538305.db2.gz HTDLWIMIDWVYHE-WMLDXEAASA-N 2 2 308.853 3.265 20 0 DGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133751 433486484 /nfs/dbraw/zinc/48/64/84/433486484.db2.gz QSQCSGZLCVNAIM-ROUUACIJSA-N 2 2 302.462 3.008 20 0 DGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133751 433486494 /nfs/dbraw/zinc/48/64/94/433486494.db2.gz QSQCSGZLCVNAIM-ROUUACIJSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133751 433486498 /nfs/dbraw/zinc/48/64/98/433486498.db2.gz QSQCSGZLCVNAIM-ROUUACIJSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133751 433486506 /nfs/dbraw/zinc/48/65/06/433486506.db2.gz QSQCSGZLCVNAIM-ROUUACIJSA-N 2 2 302.462 3.008 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCN(c2cccc[nH+]2)CC1 ZINC000301289014 433488290 /nfs/dbraw/zinc/48/82/90/433488290.db2.gz SNMPSQLSMCCCKZ-UHFFFAOYSA-N 2 2 308.360 3.096 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000414258835 433491283 /nfs/dbraw/zinc/49/12/83/433491283.db2.gz MFJIFQRIFVZYDV-GXTWGEPZSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000414258835 433491293 /nfs/dbraw/zinc/49/12/93/433491293.db2.gz MFJIFQRIFVZYDV-GXTWGEPZSA-N 2 2 311.267 3.330 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)s1 ZINC000421358148 433498184 /nfs/dbraw/zinc/49/81/84/433498184.db2.gz BBIFKUVGKVJDJN-LLVKDONJSA-N 2 2 321.412 3.369 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)s1 ZINC000421358148 433498194 /nfs/dbraw/zinc/49/81/94/433498194.db2.gz BBIFKUVGKVJDJN-LLVKDONJSA-N 2 2 321.412 3.369 20 0 DGADLP Fc1ccc2nc([C@H]3CCC[N@H+](CCn4cc[nH+]c4)C3)oc2c1 ZINC000362053610 433507785 /nfs/dbraw/zinc/50/77/85/433507785.db2.gz RCACPCVQMUWISW-ZDUSSCGKSA-N 2 2 314.364 3.043 20 0 DGADLP Fc1ccc2nc([C@H]3CCC[N@@H+](CCn4cc[nH+]c4)C3)oc2c1 ZINC000362053610 433507796 /nfs/dbraw/zinc/50/77/96/433507796.db2.gz RCACPCVQMUWISW-ZDUSSCGKSA-N 2 2 314.364 3.043 20 0 DGADLP Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301429162 433548782 /nfs/dbraw/zinc/54/87/82/433548782.db2.gz FMOWRYAVLMSKCQ-MRXNPFEDSA-N 2 2 302.397 3.256 20 0 DGADLP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1)CC1CC1 ZINC000351577768 433593492 /nfs/dbraw/zinc/59/34/92/433593492.db2.gz FYCCLNWZPGMAHD-AWEZNQCLSA-N 2 2 320.481 3.273 20 0 DGADLP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1)CC1CC1 ZINC000351577768 433593499 /nfs/dbraw/zinc/59/34/99/433593499.db2.gz FYCCLNWZPGMAHD-AWEZNQCLSA-N 2 2 320.481 3.273 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CCCCCOC2CCCCC2)n1C ZINC000414345088 433554342 /nfs/dbraw/zinc/55/43/42/433554342.db2.gz DCHOJHQHSXFDKF-UHFFFAOYSA-N 2 2 322.497 3.095 20 0 DGADLP Fc1ccc(F)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351550656 433569958 /nfs/dbraw/zinc/56/99/58/433569958.db2.gz NJLQOGRHAXBZAO-UHFFFAOYSA-N 2 2 300.312 3.217 20 0 DGADLP Cc1ccsc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000414362370 433574193 /nfs/dbraw/zinc/57/41/93/433574193.db2.gz FCJXEENVEDWQQC-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc4[nH+]ccn4c3)ccc21 ZINC000456292031 433576785 /nfs/dbraw/zinc/57/67/85/433576785.db2.gz ZHOPCGNAEZJHJW-QGZVFWFLSA-N 2 2 320.396 3.136 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377089 433582149 /nfs/dbraw/zinc/58/21/49/433582149.db2.gz DVUIDCBUZNDUCO-IRXDYDNUSA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377089 433582152 /nfs/dbraw/zinc/58/21/52/433582152.db2.gz DVUIDCBUZNDUCO-IRXDYDNUSA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377089 433582154 /nfs/dbraw/zinc/58/21/54/433582154.db2.gz DVUIDCBUZNDUCO-IRXDYDNUSA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377089 433582159 /nfs/dbraw/zinc/58/21/59/433582159.db2.gz DVUIDCBUZNDUCO-IRXDYDNUSA-N 2 2 316.493 3.125 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339443973 433590028 /nfs/dbraw/zinc/59/00/28/433590028.db2.gz DGGAOGYCCQCILU-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339443973 433590032 /nfs/dbraw/zinc/59/00/32/433590032.db2.gz DGGAOGYCCQCILU-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414392149 433591162 /nfs/dbraw/zinc/59/11/62/433591162.db2.gz MFVYOMSSPZNLNC-OAHLLOKOSA-N 2 2 320.868 3.250 20 0 DGADLP Cc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000161609762 292838580 /nfs/dbraw/zinc/83/85/80/292838580.db2.gz AMOFFCNQTKBJJJ-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000339520008 433636355 /nfs/dbraw/zinc/63/63/55/433636355.db2.gz XGOQBZNRALBEOH-GOSISDBHSA-N 2 2 313.445 3.151 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH+]1C1CCCCC1 ZINC000376002842 433637245 /nfs/dbraw/zinc/63/72/45/433637245.db2.gz GBMAWTRUMGFLQT-PSBWJHGTSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH+]1C1CCCCC1 ZINC000376002842 433637253 /nfs/dbraw/zinc/63/72/53/433637253.db2.gz GBMAWTRUMGFLQT-PSBWJHGTSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002842 433637258 /nfs/dbraw/zinc/63/72/58/433637258.db2.gz GBMAWTRUMGFLQT-PSBWJHGTSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002842 433637262 /nfs/dbraw/zinc/63/72/62/433637262.db2.gz GBMAWTRUMGFLQT-PSBWJHGTSA-N 3 2 307.526 3.102 20 0 DGADLP Clc1ccc(O[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293180294 433644571 /nfs/dbraw/zinc/64/45/71/433644571.db2.gz VXBNROFDPLGOJK-MRXNPFEDSA-N 2 2 305.809 3.080 20 0 DGADLP Clc1ccc(O[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293180294 433644578 /nfs/dbraw/zinc/64/45/78/433644578.db2.gz VXBNROFDPLGOJK-MRXNPFEDSA-N 2 2 305.809 3.080 20 0 DGADLP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000301581447 433621650 /nfs/dbraw/zinc/62/16/50/433621650.db2.gz NRXIAJKELDVKJZ-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366212822 292924801 /nfs/dbraw/zinc/92/48/01/292924801.db2.gz XCYLYBILPGRXIC-PBHICJAKSA-N 2 2 311.429 3.355 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427113957 433654501 /nfs/dbraw/zinc/65/45/01/433654501.db2.gz KFNXZMGTUXJYJT-AAEUAGOBSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427113957 433654510 /nfs/dbraw/zinc/65/45/10/433654510.db2.gz KFNXZMGTUXJYJT-AAEUAGOBSA-N 2 2 316.779 3.125 20 0 DGADLP COc1cc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000339573737 433663037 /nfs/dbraw/zinc/66/30/37/433663037.db2.gz ORHJFDADPKADEM-JSGCOSHPSA-N 2 2 308.853 3.106 20 0 DGADLP COc1cc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000339573737 433663046 /nfs/dbraw/zinc/66/30/46/433663046.db2.gz ORHJFDADPKADEM-JSGCOSHPSA-N 2 2 308.853 3.106 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034902 433692826 /nfs/dbraw/zinc/69/28/26/433692826.db2.gz FMJNXIAJJOLTTJ-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034902 433692835 /nfs/dbraw/zinc/69/28/35/433692835.db2.gz FMJNXIAJJOLTTJ-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034902 433692845 /nfs/dbraw/zinc/69/28/45/433692845.db2.gz FMJNXIAJJOLTTJ-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034902 433692854 /nfs/dbraw/zinc/69/28/54/433692854.db2.gz FMJNXIAJJOLTTJ-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000356742249 433671744 /nfs/dbraw/zinc/67/17/44/433671744.db2.gz KREDELLWCCDZDX-AWEZNQCLSA-N 2 2 304.463 3.685 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2ccccc2s1 ZINC000376215163 433693252 /nfs/dbraw/zinc/69/32/52/433693252.db2.gz DUEWXSJHEUZPRL-BPUTZDHNSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2ccccc2s1 ZINC000376215163 433693262 /nfs/dbraw/zinc/69/32/62/433693262.db2.gz DUEWXSJHEUZPRL-BPUTZDHNSA-N 2 2 316.470 3.415 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000366943562 293007117 /nfs/dbraw/zinc/00/71/17/293007117.db2.gz LNPHVLOISLZGHF-OALUTQOASA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000366943562 293007119 /nfs/dbraw/zinc/00/71/19/293007119.db2.gz LNPHVLOISLZGHF-OALUTQOASA-N 2 2 311.429 3.324 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449037895 433696249 /nfs/dbraw/zinc/69/62/49/433696249.db2.gz PZELEWKVGHNHAT-QGZVFWFLSA-N 2 2 313.449 3.168 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449037895 433696255 /nfs/dbraw/zinc/69/62/55/433696255.db2.gz PZELEWKVGHNHAT-QGZVFWFLSA-N 2 2 313.449 3.168 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367259639 293044850 /nfs/dbraw/zinc/04/48/50/293044850.db2.gz JDPCPTIFQPRTPF-OALUTQOASA-N 2 2 316.489 3.401 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000414538506 433700264 /nfs/dbraw/zinc/70/02/64/433700264.db2.gz QVBOYFFMIDECFY-SJORKVTESA-N 2 2 324.509 3.208 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000414538503 433701799 /nfs/dbraw/zinc/70/17/99/433701799.db2.gz QVBOYFFMIDECFY-DLBZAZTESA-N 2 2 324.509 3.208 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CSC[C@H]3C)c(C)c2)CC1 ZINC000449040772 433703770 /nfs/dbraw/zinc/70/37/70/433703770.db2.gz JVZALYFNDZIQEN-CRAIPNDOSA-N 2 2 319.518 3.300 20 0 DGADLP Cc1c[nH+]ccc1OC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000370084342 293155117 /nfs/dbraw/zinc/15/51/17/293155117.db2.gz VFPYTDSCPCTWCH-UHFFFAOYSA-N 2 2 312.417 3.153 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[N@@H+]1Cc1ccccc1 ZINC000370431255 293174168 /nfs/dbraw/zinc/17/41/68/293174168.db2.gz SKDXEHJEOVBRDO-CEXWTWQISA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[N@H+]1Cc1ccccc1 ZINC000370431255 293174169 /nfs/dbraw/zinc/17/41/69/293174169.db2.gz SKDXEHJEOVBRDO-CEXWTWQISA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000371679360 293223502 /nfs/dbraw/zinc/22/35/02/293223502.db2.gz MYQHKTLDRIIARM-GJZGRUSLSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000371679360 293223503 /nfs/dbraw/zinc/22/35/03/293223503.db2.gz MYQHKTLDRIIARM-GJZGRUSLSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000371679360 293223505 /nfs/dbraw/zinc/22/35/05/293223505.db2.gz MYQHKTLDRIIARM-GJZGRUSLSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000371679360 293223507 /nfs/dbraw/zinc/22/35/07/293223507.db2.gz MYQHKTLDRIIARM-GJZGRUSLSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000372054952 293226698 /nfs/dbraw/zinc/22/66/98/293226698.db2.gz ISWCZDRBBKJMKH-UKRRQHHQSA-N 2 2 315.383 3.224 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000372054952 293226699 /nfs/dbraw/zinc/22/66/99/293226699.db2.gz ISWCZDRBBKJMKH-UKRRQHHQSA-N 2 2 315.383 3.224 20 0 DGADLP C[N@H+](Cc1cn2c(n1)CCCC2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000372995484 293249172 /nfs/dbraw/zinc/24/91/72/293249172.db2.gz IWMQTMGBWMBUGX-UHFFFAOYSA-N 2 2 321.428 3.037 20 0 DGADLP C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000372995484 293249177 /nfs/dbraw/zinc/24/91/77/293249177.db2.gz IWMQTMGBWMBUGX-UHFFFAOYSA-N 2 2 321.428 3.037 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000339660584 433711467 /nfs/dbraw/zinc/71/14/67/433711467.db2.gz ICCNDJYHRNGGDX-KRWDZBQOSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOCC1CC1 ZINC000339660584 433711482 /nfs/dbraw/zinc/71/14/82/433711482.db2.gz ICCNDJYHRNGGDX-KRWDZBQOSA-N 2 2 313.445 3.236 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000449086163 433726117 /nfs/dbraw/zinc/72/61/17/433726117.db2.gz BATXVONZFFTWEO-SGMGOOAPSA-N 2 2 310.363 3.308 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000449086163 433726121 /nfs/dbraw/zinc/72/61/21/433726121.db2.gz BATXVONZFFTWEO-SGMGOOAPSA-N 2 2 310.363 3.308 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189437 433727593 /nfs/dbraw/zinc/72/75/93/433727593.db2.gz HETYHDNLDHYYBE-JTLJZCETSA-N 2 2 306.494 3.329 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189437 433727604 /nfs/dbraw/zinc/72/76/04/433727604.db2.gz HETYHDNLDHYYBE-JTLJZCETSA-N 2 2 306.494 3.329 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000449186637 433731086 /nfs/dbraw/zinc/73/10/86/433731086.db2.gz KWSLEXCODCIKKC-UYFTZEKXSA-N 2 2 306.494 3.472 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000449186637 433731093 /nfs/dbraw/zinc/73/10/93/433731093.db2.gz KWSLEXCODCIKKC-UYFTZEKXSA-N 2 2 306.494 3.472 20 0 DGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000427590960 433732457 /nfs/dbraw/zinc/73/24/57/433732457.db2.gz GBGDWLNJRMVJLG-WSTZPKSXSA-N 2 2 318.505 3.343 20 0 DGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000427590960 433732464 /nfs/dbraw/zinc/73/24/64/433732464.db2.gz GBGDWLNJRMVJLG-WSTZPKSXSA-N 2 2 318.505 3.343 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549192 433771851 /nfs/dbraw/zinc/77/18/51/433771851.db2.gz VGKZCBQQPKZIQV-WMZOPIPTSA-N 2 2 304.478 3.210 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549192 433771863 /nfs/dbraw/zinc/77/18/63/433771863.db2.gz VGKZCBQQPKZIQV-WMZOPIPTSA-N 2 2 304.478 3.210 20 0 DGADLP COC1([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000421821386 433744951 /nfs/dbraw/zinc/74/49/51/433744951.db2.gz RDQJFFPEFPTXBG-OAHLLOKOSA-N 2 2 305.466 3.089 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427857412 433748644 /nfs/dbraw/zinc/74/86/44/433748644.db2.gz QBTDQTFTJBJSDN-SJORKVTESA-N 2 2 301.409 3.194 20 0 DGADLP Clc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427898516 433749532 /nfs/dbraw/zinc/74/95/32/433749532.db2.gz TUGNCJZEGMJRHW-IUODEOHRSA-N 2 2 317.820 3.355 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863516 433756668 /nfs/dbraw/zinc/75/66/68/433756668.db2.gz UGIPHLDCNFNNPD-SMDDNHRTSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863516 433756678 /nfs/dbraw/zinc/75/66/78/433756678.db2.gz UGIPHLDCNFNNPD-SMDDNHRTSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863512 433758056 /nfs/dbraw/zinc/75/80/56/433758056.db2.gz UGIPHLDCNFNNPD-BXUZGUMPSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863512 433758064 /nfs/dbraw/zinc/75/80/64/433758064.db2.gz UGIPHLDCNFNNPD-BXUZGUMPSA-N 2 2 319.836 3.473 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000356901496 433758255 /nfs/dbraw/zinc/75/82/55/433758255.db2.gz PSNAVNVILUUESO-LSTHTHJFSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000356901496 433758264 /nfs/dbraw/zinc/75/82/64/433758264.db2.gz PSNAVNVILUUESO-LSTHTHJFSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862716 433759052 /nfs/dbraw/zinc/75/90/52/433759052.db2.gz PXLHNUSHPSFKJU-VXGBXAGGSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862716 433759062 /nfs/dbraw/zinc/75/90/62/433759062.db2.gz PXLHNUSHPSFKJU-VXGBXAGGSA-N 2 2 305.422 3.118 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)c(F)c1 ZINC000421842667 433765298 /nfs/dbraw/zinc/76/52/98/433765298.db2.gz OJLYELJPGFJFPT-SCLBCKFNSA-N 2 2 317.408 3.333 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449755634 433765903 /nfs/dbraw/zinc/76/59/03/433765903.db2.gz NRASPGIDPGRPDW-JCHJZTRSSA-N 2 2 302.462 3.369 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449755634 433765914 /nfs/dbraw/zinc/76/59/14/433765914.db2.gz NRASPGIDPGRPDW-JCHJZTRSSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414559263 433724182 /nfs/dbraw/zinc/72/41/82/433724182.db2.gz POPPODXKPDHXAD-UHFFFAOYSA-N 2 2 314.473 3.099 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2sc(C)cc2Br)C1 ZINC000414657376 433775122 /nfs/dbraw/zinc/77/51/22/433775122.db2.gz OPOFBBWHIURAHX-NSHDSACASA-N 2 2 317.296 3.250 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC000414657376 433775132 /nfs/dbraw/zinc/77/51/32/433775132.db2.gz OPOFBBWHIURAHX-NSHDSACASA-N 2 2 317.296 3.250 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc2)cc1 ZINC000414656598 433775185 /nfs/dbraw/zinc/77/51/85/433775185.db2.gz ITGJTVQPFASLNR-AWEZNQCLSA-N 2 2 300.402 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc2)cc1 ZINC000414656598 433775194 /nfs/dbraw/zinc/77/51/94/433775194.db2.gz ITGJTVQPFASLNR-AWEZNQCLSA-N 2 2 300.402 3.267 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421854538 433775766 /nfs/dbraw/zinc/77/57/66/433775766.db2.gz LQNZYTDZSDONPX-WMZOPIPTSA-N 2 2 301.478 3.039 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421854538 433775780 /nfs/dbraw/zinc/77/57/80/433775780.db2.gz LQNZYTDZSDONPX-WMZOPIPTSA-N 2 2 301.478 3.039 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC4(CC4)C3)sc2C1 ZINC000351894429 433776947 /nfs/dbraw/zinc/77/69/47/433776947.db2.gz RZLKRVZFCKSECH-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC4(CC4)C3)sc2C1 ZINC000351894429 433776954 /nfs/dbraw/zinc/77/69/54/433776954.db2.gz RZLKRVZFCKSECH-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC4(CC4)C3)sc2C1 ZINC000351894429 433776961 /nfs/dbraw/zinc/77/69/61/433776961.db2.gz RZLKRVZFCKSECH-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC4(CC4)C3)sc2C1 ZINC000351894429 433776971 /nfs/dbraw/zinc/77/69/71/433776971.db2.gz RZLKRVZFCKSECH-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP CC[C@@H](C)[NH2+][C@@H](CNc1cc[nH+]c(C(C)C)n1)c1ccco1 ZINC000343264486 433789679 /nfs/dbraw/zinc/78/96/79/433789679.db2.gz LDIIREWTYGKRME-KGLIPLIRSA-N 2 2 302.422 3.734 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449786760 433796684 /nfs/dbraw/zinc/79/66/84/433796684.db2.gz PZFBLNKNKBJBJG-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449786760 433796693 /nfs/dbraw/zinc/79/66/93/433796693.db2.gz PZFBLNKNKBJBJG-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1cccc(CO)c1 ZINC000376731278 433805002 /nfs/dbraw/zinc/80/50/02/433805002.db2.gz YEMJOTXQCCUCIB-CSODHUTKSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccc(CO)c1 ZINC000376731278 433805013 /nfs/dbraw/zinc/80/50/13/433805013.db2.gz YEMJOTXQCCUCIB-CSODHUTKSA-N 2 2 324.468 3.493 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376729832 433806213 /nfs/dbraw/zinc/80/62/13/433806213.db2.gz TZQCODMZEIOZCE-UHFFFAOYSA-N 2 2 321.428 3.003 20 0 DGADLP CC[N@H+](CCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1)CC1CC1 ZINC000414745137 433817032 /nfs/dbraw/zinc/81/70/32/433817032.db2.gz PBLTXYJQZOQZPC-UHFFFAOYSA-N 3 2 309.542 3.209 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1)CC1CC1 ZINC000414745137 433817036 /nfs/dbraw/zinc/81/70/36/433817036.db2.gz PBLTXYJQZOQZPC-UHFFFAOYSA-N 3 2 309.542 3.209 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@H](C[NH3+])C1 ZINC000414773560 433825417 /nfs/dbraw/zinc/82/54/17/433825417.db2.gz XDESRNRKRMKSMP-OCCSQVGLSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@H](C[NH3+])C1 ZINC000414773560 433825426 /nfs/dbraw/zinc/82/54/26/433825426.db2.gz XDESRNRKRMKSMP-OCCSQVGLSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000433032623 433835934 /nfs/dbraw/zinc/83/59/34/433835934.db2.gz MOAPKPCMTCLTBO-MNEFBYGVSA-N 2 2 322.452 3.285 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000433032623 433835941 /nfs/dbraw/zinc/83/59/41/433835941.db2.gz MOAPKPCMTCLTBO-MNEFBYGVSA-N 2 2 322.452 3.285 20 0 DGADLP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1(C[NH3+])CCC1 ZINC000414788688 433836916 /nfs/dbraw/zinc/83/69/16/433836916.db2.gz NFYPAKVVPDHFLB-UHFFFAOYSA-N 2 2 320.330 3.080 20 0 DGADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1(C[NH3+])CCC1 ZINC000414788688 433836927 /nfs/dbraw/zinc/83/69/27/433836927.db2.gz NFYPAKVVPDHFLB-UHFFFAOYSA-N 2 2 320.330 3.080 20 0 DGADLP C[NH+](C)Cc1ccccc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000362744600 433843542 /nfs/dbraw/zinc/84/35/42/433843542.db2.gz JPRSBWVXEKVWQY-UHFFFAOYSA-N 2 2 320.396 3.391 20 0 DGADLP COCCOc1cccc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414803002 433844150 /nfs/dbraw/zinc/84/41/50/433844150.db2.gz IWCFCEXUJHJJOL-UHFFFAOYSA-N 2 2 320.477 3.114 20 0 DGADLP CC[N@H+](C)[C@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456834599 433848946 /nfs/dbraw/zinc/84/89/46/433848946.db2.gz HRVBONSHYHPQGT-SFHVURJKSA-N 2 2 311.429 3.008 20 0 DGADLP CC[N@@H+](C)[C@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456834599 433848957 /nfs/dbraw/zinc/84/89/57/433848957.db2.gz HRVBONSHYHPQGT-SFHVURJKSA-N 2 2 311.429 3.008 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1sc(C)cc1Br ZINC000414807808 433849356 /nfs/dbraw/zinc/84/93/56/433849356.db2.gz DFGRNFCWIALVLG-SNVBAGLBSA-N 2 2 305.285 3.426 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414807327 433849826 /nfs/dbraw/zinc/84/98/26/433849826.db2.gz CPZSFJGDXITGQL-CYBMUJFWSA-N 2 2 312.841 3.108 20 0 DGADLP CC[NH+](CC)[C@H](CNc1nc[nH+]c(N)c1Cl)c1ccccc1 ZINC000302794136 433865137 /nfs/dbraw/zinc/86/51/37/433865137.db2.gz NOFOSTITGURNLO-CYBMUJFWSA-N 2 2 319.840 3.207 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1nc[nH+]c(N)c1Cl)c1ccccc1 ZINC000302794137 433865314 /nfs/dbraw/zinc/86/53/14/433865314.db2.gz NOFOSTITGURNLO-ZDUSSCGKSA-N 2 2 319.840 3.207 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284246913 433869400 /nfs/dbraw/zinc/86/94/00/433869400.db2.gz WANSWXVSMZLRLK-UKRRQHHQSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284246913 433869408 /nfs/dbraw/zinc/86/94/08/433869408.db2.gz WANSWXVSMZLRLK-UKRRQHHQSA-N 2 2 323.400 3.400 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000357122613 433871970 /nfs/dbraw/zinc/87/19/70/433871970.db2.gz JTJKUHWWYWWJJI-CYBMUJFWSA-N 2 2 314.433 3.490 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(C)c2)cc1 ZINC000414874307 433895488 /nfs/dbraw/zinc/89/54/88/433895488.db2.gz ASSIPXIXPAISLO-UXHICEINSA-N 2 2 310.441 3.239 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(F)c2)cc1 ZINC000414876381 433897124 /nfs/dbraw/zinc/89/71/24/433897124.db2.gz DHPGQDDEZODVMV-MOPGFXCFSA-N 2 2 314.404 3.070 20 0 DGADLP CCC[NH2+]CC[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414877157 433899831 /nfs/dbraw/zinc/89/98/31/433899831.db2.gz WZSROKTVNFHTQQ-UHFFFAOYSA-N 2 2 319.474 3.120 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccccc2C)cc1 ZINC000414883163 433900092 /nfs/dbraw/zinc/90/00/92/433900092.db2.gz MVZZNQILVPKNBW-VQTJNVASSA-N 2 2 310.441 3.239 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2sccc2C)cc1 ZINC000414884329 433901091 /nfs/dbraw/zinc/90/10/91/433901091.db2.gz NROJDMPJLLIIPH-IRXDYDNUSA-N 2 2 316.470 3.300 20 0 DGADLP OCC1([C@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)CCC1 ZINC000293863657 433902011 /nfs/dbraw/zinc/90/20/11/433902011.db2.gz ILFUBCURHDAQGT-LJQANCHMSA-N 2 2 321.424 3.328 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)s2)cc1 ZINC000414891118 433904180 /nfs/dbraw/zinc/90/41/80/433904180.db2.gz VBGNCTHESHLLLV-ZWKOTPCHSA-N 2 2 316.470 3.300 20 0 DGADLP C[C@@]1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CCC[NH2+]C1 ZINC000414905420 433909178 /nfs/dbraw/zinc/90/91/78/433909178.db2.gz OQVDMPMSFPDDOO-QGZVFWFLSA-N 2 2 319.449 3.429 20 0 DGADLP Cc1cc(C)cc(NC(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000377557041 433909888 /nfs/dbraw/zinc/90/98/88/433909888.db2.gz QICLFDKXUKTETB-UHFFFAOYSA-N 2 2 311.433 3.015 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1C[NH3+] ZINC000422561894 433918083 /nfs/dbraw/zinc/91/80/83/433918083.db2.gz OBMDAVISDPAOCU-UTUOFQBUSA-N 2 2 307.438 3.241 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1C[NH3+] ZINC000422561894 433918096 /nfs/dbraw/zinc/91/80/96/433918096.db2.gz OBMDAVISDPAOCU-UTUOFQBUSA-N 2 2 307.438 3.241 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000357229606 433918904 /nfs/dbraw/zinc/91/89/04/433918904.db2.gz IBXNGQQDQAKTAR-WDSOQIARSA-N 2 2 309.457 3.478 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000357229606 433918911 /nfs/dbraw/zinc/91/89/11/433918911.db2.gz IBXNGQQDQAKTAR-WDSOQIARSA-N 2 2 309.457 3.478 20 0 DGADLP C[C@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414925495 433921987 /nfs/dbraw/zinc/92/19/87/433921987.db2.gz IAYGKJFTGUSRHT-SSDOTTSWSA-N 2 2 300.246 3.161 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000414923702 433922138 /nfs/dbraw/zinc/92/21/38/433922138.db2.gz FPOUJCLGYBODQT-INIZCTEOSA-N 2 2 316.424 3.084 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000414929686 433922782 /nfs/dbraw/zinc/92/27/82/433922782.db2.gz OXJHJDJYWQFKMW-QGZVFWFLSA-N 2 2 312.461 3.253 20 0 DGADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000414946849 433929129 /nfs/dbraw/zinc/92/91/29/433929129.db2.gz TZUWIZGUSCFGDV-ZDUSSCGKSA-N 2 2 304.821 3.356 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295266 433929579 /nfs/dbraw/zinc/92/95/79/433929579.db2.gz GKLXVXPXSBGWKG-LGQWNILFSA-N 2 2 306.400 3.283 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295266 433929587 /nfs/dbraw/zinc/92/95/87/433929587.db2.gz GKLXVXPXSBGWKG-LGQWNILFSA-N 2 2 306.400 3.283 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C[NH3+] ZINC000422626231 433930222 /nfs/dbraw/zinc/93/02/22/433930222.db2.gz DLFZMRGCFYVQLJ-MBNYWOFBSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C[NH3+] ZINC000422626231 433930234 /nfs/dbraw/zinc/93/02/34/433930234.db2.gz DLFZMRGCFYVQLJ-MBNYWOFBSA-N 2 2 305.447 3.208 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422698272 433932662 /nfs/dbraw/zinc/93/26/62/433932662.db2.gz YLCIWVXHXABJTA-APWZRJJASA-N 3 2 303.494 3.149 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000414956452 433933834 /nfs/dbraw/zinc/93/38/34/433933834.db2.gz PQVYDRBYLWOIFR-ZANVPECISA-N 2 2 317.658 3.333 20 0 DGADLP CCCCCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1OC ZINC000414852902 433882665 /nfs/dbraw/zinc/88/26/65/433882665.db2.gz WTLFBEJVLWZTLI-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP COc1ccc(Oc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000414849416 433882889 /nfs/dbraw/zinc/88/28/89/433882889.db2.gz RCBUMPSUYOJGHY-INIZCTEOSA-N 2 2 312.413 3.329 20 0 DGADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414849665 433883558 /nfs/dbraw/zinc/88/35/58/433883558.db2.gz HNBKGLUHFHYWGB-UKRRQHHQSA-N 2 2 301.459 3.288 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000344814227 433884687 /nfs/dbraw/zinc/88/46/87/433884687.db2.gz JGWGLUVVNVHFIC-HOCLYGCPSA-N 2 2 322.449 3.056 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414854511 433885272 /nfs/dbraw/zinc/88/52/72/433885272.db2.gz VCEWMZBJIWPSJG-GFCCVEGCSA-N 2 2 322.346 3.230 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422635684 433934803 /nfs/dbraw/zinc/93/48/03/433934803.db2.gz LXNYYZWDQKACSM-RDBSUJKOSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422635684 433934808 /nfs/dbraw/zinc/93/48/08/433934808.db2.gz LXNYYZWDQKACSM-RDBSUJKOSA-N 2 2 318.440 3.001 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861771 433890728 /nfs/dbraw/zinc/89/07/28/433890728.db2.gz WTUXXSZPJINOGS-RAUXBKROSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861771 433890738 /nfs/dbraw/zinc/89/07/38/433890738.db2.gz WTUXXSZPJINOGS-RAUXBKROSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+]Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000414861253 433891924 /nfs/dbraw/zinc/89/19/24/433891924.db2.gz WIBKDSZSAYZJPC-QWRGUYRKSA-N 2 2 315.230 3.066 20 0 DGADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414964437 433944546 /nfs/dbraw/zinc/94/45/46/433944546.db2.gz YMPWTGRGDIJKFI-KRWDZBQOSA-N 2 2 318.367 3.265 20 0 DGADLP Cc1cccn2c(C[NH2+]Cc3ccc4c(c3)CCCN4)c[nH+]c12 ZINC000414974299 433948788 /nfs/dbraw/zinc/94/87/88/433948788.db2.gz DJCSKDCEBNEGCC-UHFFFAOYSA-N 2 2 306.413 3.291 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442040 433949546 /nfs/dbraw/zinc/94/95/46/433949546.db2.gz FSJAWJPWGGKZMI-FXAWDEMLSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442040 433949558 /nfs/dbraw/zinc/94/95/58/433949558.db2.gz FSJAWJPWGGKZMI-FXAWDEMLSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285442040 433949567 /nfs/dbraw/zinc/94/95/67/433949567.db2.gz FSJAWJPWGGKZMI-FXAWDEMLSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285442040 433949579 /nfs/dbraw/zinc/94/95/79/433949579.db2.gz FSJAWJPWGGKZMI-FXAWDEMLSA-N 2 2 322.456 3.136 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414972557 433950806 /nfs/dbraw/zinc/95/08/06/433950806.db2.gz AREMVWKUWXOCTQ-INIZCTEOSA-N 2 2 320.868 3.029 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]([NH3+])CC)cc1OCC ZINC000414982149 433951939 /nfs/dbraw/zinc/95/19/39/433951939.db2.gz RMCWZULJBZZAIH-CYBMUJFWSA-N 2 2 314.857 3.354 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1OC1CCCC1 ZINC000422727575 433954468 /nfs/dbraw/zinc/95/44/68/433954468.db2.gz HMFCSXTVHIKDGD-RHSMWYFYSA-N 2 2 318.461 3.104 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422730637 433955216 /nfs/dbraw/zinc/95/52/16/433955216.db2.gz MKJWUCGJHKLRRM-SOLBZPMBSA-N 3 2 303.494 3.094 20 0 DGADLP C[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000414988516 433956267 /nfs/dbraw/zinc/95/62/67/433956267.db2.gz KYMFDDJSUSLGOL-JOYOIKCWSA-N 2 2 321.209 3.125 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414982650 433956822 /nfs/dbraw/zinc/95/68/22/433956822.db2.gz YQKRVOIHAOAZOI-ZDUSSCGKSA-N 2 2 307.488 3.349 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739038 433959504 /nfs/dbraw/zinc/95/95/04/433959504.db2.gz ZUMALIIZPCESTI-APWZRJJASA-N 3 2 317.521 3.176 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739038 433959509 /nfs/dbraw/zinc/95/95/09/433959509.db2.gz ZUMALIIZPCESTI-APWZRJJASA-N 3 2 317.521 3.176 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422734978 433961626 /nfs/dbraw/zinc/96/16/26/433961626.db2.gz VGTSVKHYEOMTJN-DZFGPLHGSA-N 2 2 324.468 3.441 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422736833 433961756 /nfs/dbraw/zinc/96/17/56/433961756.db2.gz HAAPJGOMUHUWKC-HIFRSBDPSA-N 2 2 317.502 3.489 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000294018734 433963913 /nfs/dbraw/zinc/96/39/13/433963913.db2.gz NLAGJPFFVCVUJF-MOPGFXCFSA-N 2 2 309.413 3.016 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000294018734 433963919 /nfs/dbraw/zinc/96/39/19/433963919.db2.gz NLAGJPFFVCVUJF-MOPGFXCFSA-N 2 2 309.413 3.016 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340186927 433967560 /nfs/dbraw/zinc/96/75/60/433967560.db2.gz YQBNEDGNTWLQPT-PMACEKPBSA-N 3 2 315.505 3.286 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340186927 433967569 /nfs/dbraw/zinc/96/75/69/433967569.db2.gz YQBNEDGNTWLQPT-PMACEKPBSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000422747527 433971095 /nfs/dbraw/zinc/97/10/95/433971095.db2.gz QHMYIPMZELSFNZ-FUHWJXTLSA-N 3 2 312.461 3.273 20 0 DGADLP COc1ccc([C@H]([NH2+]CCc2cccs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422753941 433976041 /nfs/dbraw/zinc/97/60/41/433976041.db2.gz JBGXWWWSUXCDCL-ROUUACIJSA-N 2 2 316.470 3.382 20 0 DGADLP CN(CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757564 433976355 /nfs/dbraw/zinc/97/63/55/433976355.db2.gz JRFZESSHLPEKPW-LEWJYISDSA-N 2 2 323.484 3.201 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CC[NH3+])cc1 ZINC000415111302 433976919 /nfs/dbraw/zinc/97/69/19/433976919.db2.gz QNLWNSBEOTVMSM-UHFFFAOYSA-N 2 2 320.440 3.238 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CC[NH3+])cc1 ZINC000415111302 433976932 /nfs/dbraw/zinc/97/69/32/433976932.db2.gz QNLWNSBEOTVMSM-UHFFFAOYSA-N 2 2 320.440 3.238 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422764498 433983360 /nfs/dbraw/zinc/98/33/60/433983360.db2.gz VAIBOTJWUOYBFW-PKOBYXMFSA-N 3 2 320.440 3.469 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1OCCC ZINC000422763287 433983603 /nfs/dbraw/zinc/98/36/03/433983603.db2.gz NCSQWRIFOPVDJM-ZBFHGGJFSA-N 2 2 306.450 3.277 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414961581 433939463 /nfs/dbraw/zinc/93/94/63/433939463.db2.gz BFOXRLGMDHHUJK-ZDUSSCGKSA-N 2 2 304.331 3.322 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705624 433940014 /nfs/dbraw/zinc/94/00/14/433940014.db2.gz CLFJHWMCAMYZBR-RTBURBONSA-N 3 2 301.478 3.032 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000422793161 434003822 /nfs/dbraw/zinc/00/38/22/434003822.db2.gz RUEYDKSTQOTUAK-INIZCTEOSA-N 3 2 324.472 3.331 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3ccccc32)s1 ZINC000352250619 434004913 /nfs/dbraw/zinc/00/49/13/434004913.db2.gz JSWJAEOJTBBXDH-MRXNPFEDSA-N 2 2 301.459 3.372 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3occc3c2)C[C@H](C)O1 ZINC000352256583 434011317 /nfs/dbraw/zinc/01/13/17/434011317.db2.gz KCHSUENJZOWDCD-GASCZTMLSA-N 2 2 302.418 3.022 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3occc3c2)C[C@H](C)O1 ZINC000352256583 434011327 /nfs/dbraw/zinc/01/13/27/434011327.db2.gz KCHSUENJZOWDCD-GASCZTMLSA-N 2 2 302.418 3.022 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422820647 434024879 /nfs/dbraw/zinc/02/48/79/434024879.db2.gz RPKIEPDRGKGEFD-VQTJNVASSA-N 3 2 315.505 3.190 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422825576 434028957 /nfs/dbraw/zinc/02/89/57/434028957.db2.gz JSRMUPIRLASRIW-IUIKQTSFSA-N 2 2 310.388 3.396 20 0 DGADLP CC(C)Oc1ccc2[nH+]ccc(N(C)Cc3[nH+]ccn3C)c2c1 ZINC000450226980 434041023 /nfs/dbraw/zinc/04/10/23/434041023.db2.gz NWLJNQQREKKFJL-UHFFFAOYSA-N 2 2 310.401 3.392 20 0 DGADLP CC(C)[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305104466 434042131 /nfs/dbraw/zinc/04/21/31/434042131.db2.gz AWZPLNIGBUDXPO-GOSISDBHSA-N 2 2 324.896 3.301 20 0 DGADLP Cc1ccc([C@H](C[NH2+]C2CCC(C[NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000422836132 434042355 /nfs/dbraw/zinc/04/23/55/434042355.db2.gz ZVILVFWNDYJAJI-UUKMXZOPSA-N 3 2 315.505 3.239 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422777818 433994427 /nfs/dbraw/zinc/99/44/27/433994427.db2.gz GFKAWGBOXJBLQH-QXAKKESOSA-N 2 2 304.478 3.145 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787522 433996912 /nfs/dbraw/zinc/99/69/12/433996912.db2.gz RLATZWDHAOILJQ-JCGVRSQUSA-N 2 2 316.424 3.111 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787524 433998108 /nfs/dbraw/zinc/99/81/08/433998108.db2.gz RLATZWDHAOILJQ-SNUQEOBHSA-N 2 2 316.424 3.111 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285569072 434000991 /nfs/dbraw/zinc/00/09/91/434000991.db2.gz HVFCUAHNIZIOGB-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285569072 434001004 /nfs/dbraw/zinc/00/10/04/434001004.db2.gz HVFCUAHNIZIOGB-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422862087 434063424 /nfs/dbraw/zinc/06/34/24/434063424.db2.gz NJQLSAZPCUEISP-OAHLLOKOSA-N 3 2 312.461 3.185 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422862087 434063429 /nfs/dbraw/zinc/06/34/29/434063429.db2.gz NJQLSAZPCUEISP-OAHLLOKOSA-N 3 2 312.461 3.185 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422868758 434068557 /nfs/dbraw/zinc/06/85/57/434068557.db2.gz VVQVGUVUICAPMR-ZSXDVEMLSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868758 434068562 /nfs/dbraw/zinc/06/85/62/434068562.db2.gz VVQVGUVUICAPMR-ZSXDVEMLSA-N 3 2 307.526 3.007 20 0 DGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422872758 434072522 /nfs/dbraw/zinc/07/25/22/434072522.db2.gz INEZJLBRGJMVAV-BQFCYCMXSA-N 2 2 320.477 3.029 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000422872636 434073231 /nfs/dbraw/zinc/07/32/31/434073231.db2.gz HYXSHYXEKGVKNU-WMLDXEAASA-N 2 2 324.896 3.265 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422884078 434081718 /nfs/dbraw/zinc/08/17/18/434081718.db2.gz RPNPOZYTEXHEFS-WFASDCNBSA-N 2 2 316.367 3.248 20 0 DGADLP CC1=CCN(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360803 434084740 /nfs/dbraw/zinc/08/47/40/434084740.db2.gz UXIIOUWKYBBCMO-VQTJNVASSA-N 2 2 313.489 3.064 20 0 DGADLP CC1=CCN(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360803 434084749 /nfs/dbraw/zinc/08/47/49/434084749.db2.gz UXIIOUWKYBBCMO-VQTJNVASSA-N 2 2 313.489 3.064 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422886933 434086474 /nfs/dbraw/zinc/08/64/74/434086474.db2.gz AARFDGCELSZKGR-SQWLQELKSA-N 2 2 306.450 3.275 20 0 DGADLP COCc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c2cc(F)ccc2[nH+]1 ZINC000357582291 434088713 /nfs/dbraw/zinc/08/87/13/434088713.db2.gz OKQZOCXDFGZKKJ-ZDUSSCGKSA-N 2 2 319.424 3.083 20 0 DGADLP COCc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c2cc(F)ccc2[nH+]1 ZINC000357582291 434088717 /nfs/dbraw/zinc/08/87/17/434088717.db2.gz OKQZOCXDFGZKKJ-ZDUSSCGKSA-N 2 2 319.424 3.083 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C[C@H]1c1ccccc1 ZINC000340362348 434089179 /nfs/dbraw/zinc/08/91/79/434089179.db2.gz WBEJIFOHSHSBNQ-BZSNNMDCSA-N 2 2 316.470 3.207 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C[C@H]1c1ccccc1 ZINC000340362348 434089189 /nfs/dbraw/zinc/08/91/89/434089189.db2.gz WBEJIFOHSHSBNQ-BZSNNMDCSA-N 2 2 316.470 3.207 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000346059256 434092609 /nfs/dbraw/zinc/09/26/09/434092609.db2.gz DIMYNIQODXLYNL-IBGZPJMESA-N 2 2 310.441 3.216 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000346059256 434092619 /nfs/dbraw/zinc/09/26/19/434092619.db2.gz DIMYNIQODXLYNL-IBGZPJMESA-N 2 2 310.441 3.216 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422895540 434093214 /nfs/dbraw/zinc/09/32/14/434093214.db2.gz FZVNTLBYUJAAGN-YLJYHZDGSA-N 3 2 315.505 3.067 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000353383995 434094942 /nfs/dbraw/zinc/09/49/42/434094942.db2.gz RKIGNAUQKLSPGQ-CYBMUJFWSA-N 2 2 320.408 3.333 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422901699 434098553 /nfs/dbraw/zinc/09/85/53/434098553.db2.gz LPILPYJSYHMAIH-SUMWQHHRSA-N 2 2 315.392 3.101 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000422858014 434054148 /nfs/dbraw/zinc/05/41/48/434054148.db2.gz ZFRHYCDWZQAKSO-DTZQCDIJSA-N 2 2 323.506 3.251 20 0 DGADLP CC(C)[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305158213 434054529 /nfs/dbraw/zinc/05/45/29/434054529.db2.gz QPEIOUUHILNEHL-GOSISDBHSA-N 2 2 324.896 3.301 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422914601 434105396 /nfs/dbraw/zinc/10/53/96/434105396.db2.gz UXRUNVGMGGLVEK-LPHOPBHVSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422914601 434105413 /nfs/dbraw/zinc/10/54/13/434105413.db2.gz UXRUNVGMGGLVEK-LPHOPBHVSA-N 3 2 303.494 3.147 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422914049 434106233 /nfs/dbraw/zinc/10/62/33/434106233.db2.gz ZYNSSJUTEADBCD-AKHDSKFASA-N 3 2 321.553 3.397 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422914049 434106240 /nfs/dbraw/zinc/10/62/40/434106240.db2.gz ZYNSSJUTEADBCD-AKHDSKFASA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000422925331 434113967 /nfs/dbraw/zinc/11/39/67/434113967.db2.gz BKTRTWIOQAZPEI-MISXGVKJSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)C[NH+](C)C ZINC000310756601 434114241 /nfs/dbraw/zinc/11/42/41/434114241.db2.gz ABHBTEWEPYTACR-MNOVXSKESA-N 2 2 317.246 3.437 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932357 434117422 /nfs/dbraw/zinc/11/74/22/434117422.db2.gz FNXYGSOLEDGWGV-QFBILLFUSA-N 2 2 310.441 3.320 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000422932105 434118413 /nfs/dbraw/zinc/11/84/13/434118413.db2.gz YUUWDDXZDDDXNN-VQIMIIECSA-N 2 2 314.404 3.417 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340387017 434101956 /nfs/dbraw/zinc/10/19/56/434101956.db2.gz AIGDNFAKIADRNN-GBESFXJTSA-N 2 2 324.472 3.296 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340387017 434101964 /nfs/dbraw/zinc/10/19/64/434101964.db2.gz AIGDNFAKIADRNN-GBESFXJTSA-N 2 2 324.472 3.296 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000500473623 294113943 /nfs/dbraw/zinc/11/39/43/294113943.db2.gz FCVYPOZWCDNPHT-MWQQHZPXSA-N 2 2 324.415 3.399 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000500473623 294113945 /nfs/dbraw/zinc/11/39/45/294113945.db2.gz FCVYPOZWCDNPHT-MWQQHZPXSA-N 2 2 324.415 3.399 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501379896 294138792 /nfs/dbraw/zinc/13/87/92/294138792.db2.gz ZQSNGYDVVSMAFR-FXAWDEMLSA-N 2 2 318.505 3.472 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501379896 294138795 /nfs/dbraw/zinc/13/87/95/294138795.db2.gz ZQSNGYDVVSMAFR-FXAWDEMLSA-N 2 2 318.505 3.472 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501379903 294139563 /nfs/dbraw/zinc/13/95/63/294139563.db2.gz ZQSNGYDVVSMAFR-YLJYHZDGSA-N 2 2 318.505 3.472 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501379903 294139567 /nfs/dbraw/zinc/13/95/67/294139567.db2.gz ZQSNGYDVVSMAFR-YLJYHZDGSA-N 2 2 318.505 3.472 20 0 DGADLP CCc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccon4)CC3)c2c1 ZINC000450357914 434127907 /nfs/dbraw/zinc/12/79/07/434127907.db2.gz OTACYVYXNCUUEM-UHFFFAOYSA-N 2 2 322.412 3.107 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000509667519 294360896 /nfs/dbraw/zinc/36/08/96/294360896.db2.gz RVYBNCCHPDRLAF-QFBILLFUSA-N 2 2 312.457 3.086 20 0 DGADLP CCC(C)(C)c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000509683173 294361770 /nfs/dbraw/zinc/36/17/70/294361770.db2.gz PYHKRDRYKRXSRD-UHFFFAOYSA-N 2 2 318.505 3.263 20 0 DGADLP CCC(C)(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000509683173 294361771 /nfs/dbraw/zinc/36/17/71/294361771.db2.gz PYHKRDRYKRXSRD-UHFFFAOYSA-N 2 2 318.505 3.263 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000450374572 434137345 /nfs/dbraw/zinc/13/73/45/434137345.db2.gz WDESCEAEUYWYNS-UHFFFAOYSA-N 2 2 311.429 3.077 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cc[nH]c(=O)c1 ZINC000340448558 434138112 /nfs/dbraw/zinc/13/81/12/434138112.db2.gz IKIHLMBMPQABDJ-UONOGXRCSA-N 2 2 308.385 3.385 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1C ZINC000313821661 434138546 /nfs/dbraw/zinc/13/85/46/434138546.db2.gz KXDXIEGQGHJEIT-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CC(C)(C)C1CC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000340452453 434139525 /nfs/dbraw/zinc/13/95/25/434139525.db2.gz RNSHCWWOZBRDQX-UHFFFAOYSA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422965096 434143099 /nfs/dbraw/zinc/14/30/99/434143099.db2.gz NRGHAVFTMVTGCS-OALUTQOASA-N 2 2 312.461 3.097 20 0 DGADLP CCOc1ncccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422968764 434144227 /nfs/dbraw/zinc/14/42/27/434144227.db2.gz XNHBVBOMHOHQAT-ROUUACIJSA-N 2 2 311.429 3.063 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)c2ccccc21 ZINC000422970038 434145702 /nfs/dbraw/zinc/14/57/02/434145702.db2.gz FAXBRQKAJQOOIZ-MSOLQXFVSA-N 2 2 309.413 3.105 20 0 DGADLP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353465587 434149602 /nfs/dbraw/zinc/14/96/02/434149602.db2.gz YEWLYPYXENPJOK-IOJLRTSASA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353465587 434149611 /nfs/dbraw/zinc/14/96/11/434149611.db2.gz YEWLYPYXENPJOK-IOJLRTSASA-N 3 2 315.505 3.113 20 0 DGADLP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@H]21 ZINC000450396299 434151227 /nfs/dbraw/zinc/15/12/27/434151227.db2.gz VPOBJOOBXXZRMQ-CZUORRHYSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@H]21 ZINC000450396299 434151237 /nfs/dbraw/zinc/15/12/37/434151237.db2.gz VPOBJOOBXXZRMQ-CZUORRHYSA-N 2 2 321.428 3.032 20 0 DGADLP C[NH+](C)C1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353465586 434151601 /nfs/dbraw/zinc/15/16/01/434151601.db2.gz YEWLYPYXENPJOK-GPJFCIFZSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)C1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353465586 434151609 /nfs/dbraw/zinc/15/16/09/434151609.db2.gz YEWLYPYXENPJOK-GPJFCIFZSA-N 3 2 315.505 3.113 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccncc3F)CC2)[nH+]c1 ZINC000340475976 434153337 /nfs/dbraw/zinc/15/33/37/434153337.db2.gz DKRZSJMJSRNACA-AWEZNQCLSA-N 2 2 314.408 3.244 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422985077 434154213 /nfs/dbraw/zinc/15/42/13/434154213.db2.gz BZKOUQSIHSICNT-MOPGFXCFSA-N 3 2 315.505 3.332 20 0 DGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422998119 434156436 /nfs/dbraw/zinc/15/64/36/434156436.db2.gz CCQNPEGUELCSRE-HBMCJLEFSA-N 2 2 324.468 3.365 20 0 DGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422998121 434157986 /nfs/dbraw/zinc/15/79/86/434157986.db2.gz CCQNPEGUELCSRE-NJYVYQBISA-N 2 2 324.468 3.365 20 0 DGADLP Fc1cc(F)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000340484540 434158467 /nfs/dbraw/zinc/15/84/67/434158467.db2.gz AYVDIJLOGGUQOB-UHFFFAOYSA-N 2 2 321.346 3.258 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423016166 434168807 /nfs/dbraw/zinc/16/88/07/434168807.db2.gz MBTWDVQOSPAKQK-KURKYZTESA-N 2 2 318.367 3.387 20 0 DGADLP C[N@H+]1CC=C(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450428814 434170339 /nfs/dbraw/zinc/17/03/39/434170339.db2.gz XJESBVMMYVYASS-UHFFFAOYSA-N 2 2 321.346 3.349 20 0 DGADLP C[N@@H+]1CC=C(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450428814 434170349 /nfs/dbraw/zinc/17/03/49/434170349.db2.gz XJESBVMMYVYASS-UHFFFAOYSA-N 2 2 321.346 3.349 20 0 DGADLP Cc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)c1 ZINC000423024857 434172956 /nfs/dbraw/zinc/17/29/56/434172956.db2.gz MXMWENVFZHOFTE-WMWLNJEOSA-N 2 2 307.441 3.352 20 0 DGADLP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000340516114 434176523 /nfs/dbraw/zinc/17/65/23/434176523.db2.gz ANIISKNBXNGMIV-KRWDZBQOSA-N 2 2 301.478 3.462 20 0 DGADLP COc1ccc([C@@H]([NH2+]C2Cc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423040031 434181575 /nfs/dbraw/zinc/18/15/75/434181575.db2.gz SFSLZMWOVPCNON-NHCUHLMSSA-N 2 2 322.452 3.245 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423037796 434181800 /nfs/dbraw/zinc/18/18/00/434181800.db2.gz BZCVFHVZCKTTPJ-ATZDWAIDSA-N 2 2 302.462 3.275 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000340532040 434189682 /nfs/dbraw/zinc/18/96/82/434189682.db2.gz JFSTWYVCMIAJCQ-LSDHHAIUSA-N 2 2 305.466 3.010 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000450449024 434191216 /nfs/dbraw/zinc/19/12/16/434191216.db2.gz BFBARNQXKXROJR-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000450449024 434191227 /nfs/dbraw/zinc/19/12/27/434191227.db2.gz BFBARNQXKXROJR-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000450449024 434191237 /nfs/dbraw/zinc/19/12/37/434191237.db2.gz BFBARNQXKXROJR-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000450449024 434191242 /nfs/dbraw/zinc/19/12/42/434191242.db2.gz BFBARNQXKXROJR-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423050940 434192948 /nfs/dbraw/zinc/19/29/48/434192948.db2.gz MMUMAVPTKOJCPK-AOIWGVFYSA-N 2 2 316.489 3.244 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@H]1[NH3+] ZINC000316897136 434195497 /nfs/dbraw/zinc/19/54/97/434195497.db2.gz SYZVBWMPOJSLHF-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@H]1[NH3+] ZINC000316897136 434195505 /nfs/dbraw/zinc/19/55/05/434195505.db2.gz SYZVBWMPOJSLHF-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CCC(C[NH3+])CC1)[NH+](C)C ZINC000423059271 434199747 /nfs/dbraw/zinc/19/97/47/434199747.db2.gz LLAAOAMLSZRMRV-BOMAWHNGSA-N 3 2 303.494 3.093 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423070785 434202923 /nfs/dbraw/zinc/20/29/23/434202923.db2.gz NRPDLMMHNQLTHV-SUMWQHHRSA-N 2 2 318.848 3.397 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000437008458 434203492 /nfs/dbraw/zinc/20/34/92/434203492.db2.gz RQRHRKLZWBVZCA-QZTJIDSGSA-N 2 2 313.445 3.029 20 0 DGADLP O=C(CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000450477527 434211184 /nfs/dbraw/zinc/21/11/84/434211184.db2.gz WRULUAUAYPNYFX-UHFFFAOYSA-N 2 2 315.392 3.391 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423089839 434212510 /nfs/dbraw/zinc/21/25/10/434212510.db2.gz TVMNQWMSLUOKHF-MJGOQNOKSA-N 2 2 316.489 3.082 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090500 434215149 /nfs/dbraw/zinc/21/51/49/434215149.db2.gz XVCPNMNZNUPYQU-FJIDUMEYSA-N 3 2 307.526 3.007 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090500 434215159 /nfs/dbraw/zinc/21/51/59/434215159.db2.gz XVCPNMNZNUPYQU-FJIDUMEYSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000286282132 434217720 /nfs/dbraw/zinc/21/77/20/434217720.db2.gz WBKRBHXEWHOHKH-ACBHZAAOSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000286282132 434217732 /nfs/dbraw/zinc/21/77/32/434217732.db2.gz WBKRBHXEWHOHKH-ACBHZAAOSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1c[nH+]ccc1N ZINC000423101056 434218445 /nfs/dbraw/zinc/21/84/45/434218445.db2.gz HVPGRMLXKKGQNH-ZDUSSCGKSA-N 2 2 314.408 3.084 20 0 DGADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])[NH+](C)C)cc1 ZINC000423130816 434240303 /nfs/dbraw/zinc/24/03/03/434240303.db2.gz SEHSGZZDLBQVKJ-VQIMIIECSA-N 3 2 305.510 3.205 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000423139155 434244993 /nfs/dbraw/zinc/24/49/93/434244993.db2.gz YZURJIPBLVMCFL-YOEHRIQHSA-N 2 2 322.880 3.162 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)CCC2 ZINC000364154766 434250179 /nfs/dbraw/zinc/25/01/79/434250179.db2.gz HFNRVUFBCXOKPC-XJKSGUPXSA-N 2 2 301.409 3.429 20 0 DGADLP C[C@@H]([NH2+]C/C=C/c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423158019 434252750 /nfs/dbraw/zinc/25/27/50/434252750.db2.gz NOFGNEWOXAMEJE-NKZHAWSJSA-N 2 2 309.251 3.192 20 0 DGADLP C[N@@H+]1CCN(Cc2ccc(N3CCCC3)[nH+]c2)c2ccccc2C1 ZINC000353586576 434253047 /nfs/dbraw/zinc/25/30/47/434253047.db2.gz DQXMANNRFSFGSK-UHFFFAOYSA-N 2 2 322.456 3.134 20 0 DGADLP C[N@H+]1CCN(Cc2ccc(N3CCCC3)[nH+]c2)c2ccccc2C1 ZINC000353586576 434253052 /nfs/dbraw/zinc/25/30/52/434253052.db2.gz DQXMANNRFSFGSK-UHFFFAOYSA-N 2 2 322.456 3.134 20 0 DGADLP Cc1nc2sccn2c1C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353618858 434276234 /nfs/dbraw/zinc/27/62/34/434276234.db2.gz BUQIUUSHQWKGLG-UHFFFAOYSA-N 2 2 314.458 3.472 20 0 DGADLP Cc1nc2sccn2c1C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353618858 434276239 /nfs/dbraw/zinc/27/62/39/434276239.db2.gz BUQIUUSHQWKGLG-UHFFFAOYSA-N 2 2 314.458 3.472 20 0 DGADLP CCc1ccc([C@H](CNc2cc(C)[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000346635315 434256967 /nfs/dbraw/zinc/25/69/67/434256967.db2.gz NSDRLXKOKVZFTD-SFHVURJKSA-N 2 2 324.472 3.940 20 0 DGADLP C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2C1 ZINC000353590773 434257716 /nfs/dbraw/zinc/25/77/16/434257716.db2.gz VBSCANKZDGOBBN-UHFFFAOYSA-N 2 2 318.424 3.324 20 0 DGADLP C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2C1 ZINC000353590773 434257727 /nfs/dbraw/zinc/25/77/27/434257727.db2.gz VBSCANKZDGOBBN-UHFFFAOYSA-N 2 2 318.424 3.324 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncn1 ZINC000379626029 434258290 /nfs/dbraw/zinc/25/82/90/434258290.db2.gz GMLHDYPYBNQWOE-SOLBZPMBSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncn1 ZINC000379626029 434258301 /nfs/dbraw/zinc/25/83/01/434258301.db2.gz GMLHDYPYBNQWOE-SOLBZPMBSA-N 2 2 310.445 3.180 20 0 DGADLP Cc1cc(NCCC[N@@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000346663997 434260458 /nfs/dbraw/zinc/26/04/58/434260458.db2.gz YTVKIUYOBROVOA-UHFFFAOYSA-N 2 2 310.445 3.596 20 0 DGADLP Cc1cc(NCCC[N@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000346663997 434260468 /nfs/dbraw/zinc/26/04/68/434260468.db2.gz YTVKIUYOBROVOA-UHFFFAOYSA-N 2 2 310.445 3.596 20 0 DGADLP [NH3+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423182383 434265984 /nfs/dbraw/zinc/26/59/84/434265984.db2.gz LQKLXKPOBUQEAU-GFCCVEGCSA-N 2 2 307.850 3.389 20 0 DGADLP c1c2ccccc2oc1[C@H]([NH2+]C1CC[NH2+]CC1)c1cccnc1 ZINC000423176064 434267347 /nfs/dbraw/zinc/26/73/47/434267347.db2.gz BUEIFSOXTHDPSW-LJQANCHMSA-N 2 2 307.397 3.259 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423178571 434268017 /nfs/dbraw/zinc/26/80/17/434268017.db2.gz LBPGOPMJLWFBTA-LBPRGKRZSA-N 2 2 310.413 3.155 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423196490 434275252 /nfs/dbraw/zinc/27/52/52/434275252.db2.gz ZVDFSQLPVACHDK-NTDBWNAOSA-N 2 2 312.413 3.227 20 0 DGADLP COCc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353551564 434221757 /nfs/dbraw/zinc/22/17/57/434221757.db2.gz UCEIBZRNHLRCFM-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP COCc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353551564 434221770 /nfs/dbraw/zinc/22/17/70/434221770.db2.gz UCEIBZRNHLRCFM-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP COCc1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000353551564 434221780 /nfs/dbraw/zinc/22/17/80/434221780.db2.gz UCEIBZRNHLRCFM-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP COCc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000353551564 434221787 /nfs/dbraw/zinc/22/17/87/434221787.db2.gz UCEIBZRNHLRCFM-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423116625 434229267 /nfs/dbraw/zinc/22/92/67/434229267.db2.gz QPZDTEZXNBYOHV-CZUORRHYSA-N 2 2 312.461 3.164 20 0 DGADLP COC(=O)c1csc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000286316830 434231244 /nfs/dbraw/zinc/23/12/44/434231244.db2.gz XLSKMGQCZXUALF-GFCCVEGCSA-N 2 2 319.430 3.083 20 0 DGADLP COC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000357994924 434279371 /nfs/dbraw/zinc/27/93/71/434279371.db2.gz NKTCVEOHMPECMD-GOSISDBHSA-N 2 2 304.478 3.084 20 0 DGADLP COC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000357994924 434279376 /nfs/dbraw/zinc/27/93/76/434279376.db2.gz NKTCVEOHMPECMD-GOSISDBHSA-N 2 2 304.478 3.084 20 0 DGADLP c1ccc(C[NH+]2CCC(Nc3ccc4c(c3)CC[NH2+]4)CC2)nc1 ZINC000423219553 434291488 /nfs/dbraw/zinc/29/14/88/434291488.db2.gz UGCYGYGMTDSXKH-UHFFFAOYSA-N 2 2 308.429 3.126 20 0 DGADLP Cc1cc([C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c2cccnc2)ccc1F ZINC000423277380 434334548 /nfs/dbraw/zinc/33/45/48/434334548.db2.gz PLLQHVOKMVBSQS-ZWKOTPCHSA-N 2 2 301.409 3.191 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)s1 ZINC000348402715 434303648 /nfs/dbraw/zinc/30/36/48/434303648.db2.gz FVAWVGQIHYXXRG-NSHDSACASA-N 2 2 321.412 3.368 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)s1 ZINC000348402715 434303656 /nfs/dbraw/zinc/30/36/56/434303656.db2.gz FVAWVGQIHYXXRG-NSHDSACASA-N 2 2 321.412 3.368 20 0 DGADLP Cc1cnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000340692723 434304441 /nfs/dbraw/zinc/30/44/41/434304441.db2.gz OEPXRMMUCPIUDQ-KRWDZBQOSA-N 2 2 316.493 3.262 20 0 DGADLP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000340692723 434304450 /nfs/dbraw/zinc/30/44/50/434304450.db2.gz OEPXRMMUCPIUDQ-KRWDZBQOSA-N 2 2 316.493 3.262 20 0 DGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423234327 434304551 /nfs/dbraw/zinc/30/45/51/434304551.db2.gz FOPDINADGCQLJX-PBHICJAKSA-N 2 2 300.450 3.377 20 0 DGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423234328 434305222 /nfs/dbraw/zinc/30/52/22/434305222.db2.gz FOPDINADGCQLJX-RHSMWYFYSA-N 2 2 300.450 3.377 20 0 DGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1C ZINC000423239747 434305345 /nfs/dbraw/zinc/30/53/45/434305345.db2.gz WTWOWXBBGUHADC-MRXNPFEDSA-N 2 2 310.445 3.281 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000423237874 434306781 /nfs/dbraw/zinc/30/67/81/434306781.db2.gz QGNWLQFAMIOOAF-WFASDCNBSA-N 2 2 318.852 3.237 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2cccc(Br)c21 ZINC000423245586 434308438 /nfs/dbraw/zinc/30/84/38/434308438.db2.gz YRJIKLBIZFELFN-JTNHKYCSSA-N 2 2 309.251 3.339 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048368 434309035 /nfs/dbraw/zinc/30/90/35/434309035.db2.gz PREUJDQLIBJICC-KCQAQPDRSA-N 2 2 316.474 3.196 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048368 434309049 /nfs/dbraw/zinc/30/90/49/434309049.db2.gz PREUJDQLIBJICC-KCQAQPDRSA-N 2 2 316.474 3.196 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000450636886 434312058 /nfs/dbraw/zinc/31/20/58/434312058.db2.gz PHPKCPCRBMOMEH-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000450636886 434312089 /nfs/dbraw/zinc/31/20/89/434312089.db2.gz PHPKCPCRBMOMEH-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000358063182 434313023 /nfs/dbraw/zinc/31/30/23/434313023.db2.gz JMKXCEYBRMNSLW-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000358063182 434313035 /nfs/dbraw/zinc/31/30/35/434313035.db2.gz JMKXCEYBRMNSLW-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000423249348 434314991 /nfs/dbraw/zinc/31/49/91/434314991.db2.gz STOFUGXNZHVTOK-FCGDIQPGSA-N 2 2 314.473 3.357 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1F)C[NH+](C)C ZINC000386439925 434315347 /nfs/dbraw/zinc/31/53/47/434315347.db2.gz CGKFWUUXHMODRG-GHMZBOCLSA-N 2 2 317.246 3.437 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258294 434317610 /nfs/dbraw/zinc/31/76/10/434317610.db2.gz BFZHBXUULBWKTG-LRDDRELGSA-N 2 2 324.440 3.401 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCOCC2)CCC1 ZINC000386931052 434317880 /nfs/dbraw/zinc/31/78/80/434317880.db2.gz TXHUECIVBHSRLL-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCOCC2)CCC1 ZINC000386931052 434317886 /nfs/dbraw/zinc/31/78/86/434317886.db2.gz TXHUECIVBHSRLL-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000423258802 434318464 /nfs/dbraw/zinc/31/84/64/434318464.db2.gz CLLYCFGVWHIKCE-DYVFJYSZSA-N 2 2 306.450 3.262 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058834 434318759 /nfs/dbraw/zinc/31/87/59/434318759.db2.gz RGJFYCDKOGRTTG-DGCLKSJQSA-N 2 2 314.351 3.473 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058834 434318763 /nfs/dbraw/zinc/31/87/63/434318763.db2.gz RGJFYCDKOGRTTG-DGCLKSJQSA-N 2 2 314.351 3.473 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423259400 434319479 /nfs/dbraw/zinc/31/94/79/434319479.db2.gz DQOURTZOROZDTA-WMLDXEAASA-N 3 2 300.450 3.205 20 0 DGADLP CC[N@H+](CCC1CC[NH+]([C@H](C)c2csnn2)CC1)CC1CC1 ZINC000450657498 434320365 /nfs/dbraw/zinc/32/03/65/434320365.db2.gz ZWQJSISBVTUTNH-CQSZACIVSA-N 2 2 322.522 3.433 20 0 DGADLP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2csnn2)CC1)CC1CC1 ZINC000450657498 434320375 /nfs/dbraw/zinc/32/03/75/434320375.db2.gz ZWQJSISBVTUTNH-CQSZACIVSA-N 2 2 322.522 3.433 20 0 DGADLP CC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000387501098 434320540 /nfs/dbraw/zinc/32/05/40/434320540.db2.gz XQCRROZHYYNAJO-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000387501098 434320550 /nfs/dbraw/zinc/32/05/50/434320550.db2.gz XQCRROZHYYNAJO-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423260613 434320972 /nfs/dbraw/zinc/32/09/72/434320972.db2.gz HRFJKLMBTGDXPG-KXBFYZLASA-N 3 2 312.461 3.431 20 0 DGADLP Brc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423195991 434277287 /nfs/dbraw/zinc/27/72/87/434277287.db2.gz UEYBZQICWPEDFT-NHYWBVRUSA-N 2 2 309.251 3.168 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000325827497 434278164 /nfs/dbraw/zinc/27/81/64/434278164.db2.gz OIZZVRNVNOLFNZ-HOTGVXAUSA-N 2 2 320.436 3.209 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000325827497 434278172 /nfs/dbraw/zinc/27/81/72/434278172.db2.gz OIZZVRNVNOLFNZ-HOTGVXAUSA-N 2 2 320.436 3.209 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423327288 434363026 /nfs/dbraw/zinc/36/30/26/434363026.db2.gz KBQYHNPTDZINAA-CQSZACIVSA-N 2 2 314.882 3.093 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348511898 434364138 /nfs/dbraw/zinc/36/41/38/434364138.db2.gz GYSKIKAIPLDCFY-SNVBAGLBSA-N 2 2 321.412 3.471 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348511898 434364144 /nfs/dbraw/zinc/36/41/44/434364144.db2.gz GYSKIKAIPLDCFY-SNVBAGLBSA-N 2 2 321.412 3.471 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423332428 434364371 /nfs/dbraw/zinc/36/43/71/434364371.db2.gz VDZKJLYBCRWZQV-AWEZNQCLSA-N 2 2 304.459 3.302 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000366230187 434367456 /nfs/dbraw/zinc/36/74/56/434367456.db2.gz CAYBSUFPCQGNKM-AEGPPILISA-N 2 2 324.465 3.061 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Br)ccc1F ZINC000423337328 434370606 /nfs/dbraw/zinc/37/06/06/434370606.db2.gz VGLHJDBUEMPTHH-VIFPVBQESA-N 2 2 301.203 3.120 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358180046 434371490 /nfs/dbraw/zinc/37/14/90/434371490.db2.gz SEEBZMBUGCEINO-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358180046 434371500 /nfs/dbraw/zinc/37/15/00/434371500.db2.gz SEEBZMBUGCEINO-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000353727565 434371631 /nfs/dbraw/zinc/37/16/31/434371631.db2.gz IVIKMUYBUQZKSM-ZDUSSCGKSA-N 2 2 316.449 3.327 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358185935 434373723 /nfs/dbraw/zinc/37/37/23/434373723.db2.gz HPIGKXFKOGNAOH-RYUDHWBXSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358185935 434373731 /nfs/dbraw/zinc/37/37/31/434373731.db2.gz HPIGKXFKOGNAOH-RYUDHWBXSA-N 2 2 314.351 3.144 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417384510 434377228 /nfs/dbraw/zinc/37/72/28/434377228.db2.gz QKPCOJPBDRMWLF-OAHLLOKOSA-N 2 2 317.477 3.211 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000358197756 434378413 /nfs/dbraw/zinc/37/84/13/434378413.db2.gz GDIULAPBLGNZIZ-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000358197756 434378424 /nfs/dbraw/zinc/37/84/24/434378424.db2.gz GDIULAPBLGNZIZ-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCC3)cc1F ZINC000423365477 434383080 /nfs/dbraw/zinc/38/30/80/434383080.db2.gz KFGPYLUGXIYNIH-JQFCIGGWSA-N 2 2 306.400 3.333 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1C ZINC000353746911 434391900 /nfs/dbraw/zinc/39/19/00/434391900.db2.gz LLIHLNMBMZIKBM-DZKIICNBSA-N 2 2 323.506 3.299 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1C ZINC000353746911 434391912 /nfs/dbraw/zinc/39/19/12/434391912.db2.gz LLIHLNMBMZIKBM-DZKIICNBSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1C ZINC000353746911 434391920 /nfs/dbraw/zinc/39/19/20/434391920.db2.gz LLIHLNMBMZIKBM-DZKIICNBSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1C ZINC000353746911 434391928 /nfs/dbraw/zinc/39/19/28/434391928.db2.gz LLIHLNMBMZIKBM-DZKIICNBSA-N 2 2 323.506 3.299 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Br ZINC000423376840 434389270 /nfs/dbraw/zinc/38/92/70/434389270.db2.gz LILIOKSAFHCDTN-FOGDFJRCSA-N 2 2 315.230 3.379 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423374151 434389611 /nfs/dbraw/zinc/38/96/11/434389611.db2.gz HWCYLRUUWGZTTK-ABAIWWIYSA-N 2 2 311.267 3.414 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000423375462 434389642 /nfs/dbraw/zinc/38/96/42/434389642.db2.gz KOVSGXMOOVTRHM-NQBHXWOUSA-N 2 2 306.841 3.018 20 0 DGADLP C[C@@H]1[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000340852477 434390300 /nfs/dbraw/zinc/39/03/00/434390300.db2.gz XWFQWNXQLRVMBI-CJNGLKHVSA-N 2 2 307.401 3.033 20 0 DGADLP C[C@@H]1[C@@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000340852477 434390304 /nfs/dbraw/zinc/39/03/04/434390304.db2.gz XWFQWNXQLRVMBI-CJNGLKHVSA-N 2 2 307.401 3.033 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276476 434334705 /nfs/dbraw/zinc/33/47/05/434334705.db2.gz MXLURRZESHOLEP-BLLLJJGKSA-N 2 2 315.486 3.430 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cnn1-c1cc(C)ccc1C ZINC000423279473 434334896 /nfs/dbraw/zinc/33/48/96/434334896.db2.gz RZOPUCISRVEBJP-CRAIPNDOSA-N 2 2 314.477 3.431 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276477 434336250 /nfs/dbraw/zinc/33/62/50/434336250.db2.gz MXLURRZESHOLEP-LRDDRELGSA-N 2 2 315.486 3.430 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423281753 434338895 /nfs/dbraw/zinc/33/88/95/434338895.db2.gz URCLBQUDJSLHFJ-MRXNPFEDSA-N 2 2 317.477 3.306 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423294828 434342833 /nfs/dbraw/zinc/34/28/33/434342833.db2.gz CVHUQEPMOPBUKX-UHOSZYNNSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423294828 434342838 /nfs/dbraw/zinc/34/28/38/434342838.db2.gz CVHUQEPMOPBUKX-UHOSZYNNSA-N 3 2 303.494 3.004 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@@H]2CCC[C@@H]21 ZINC000353692643 434344501 /nfs/dbraw/zinc/34/45/01/434344501.db2.gz WDXYZRUCSHOVMY-FHWLQOOXSA-N 2 2 322.456 3.106 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@@H]2CCC[C@@H]21 ZINC000353692643 434344512 /nfs/dbraw/zinc/34/45/12/434344512.db2.gz WDXYZRUCSHOVMY-FHWLQOOXSA-N 2 2 322.456 3.106 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423296994 434348918 /nfs/dbraw/zinc/34/89/18/434348918.db2.gz IHTUINUBLBNCMN-MTQWCTHYSA-N 3 2 315.505 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423296994 434348928 /nfs/dbraw/zinc/34/89/28/434348928.db2.gz IHTUINUBLBNCMN-MTQWCTHYSA-N 3 2 315.505 3.004 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000287401082 434351091 /nfs/dbraw/zinc/35/10/91/434351091.db2.gz DOMBFPRIXPASQW-MRXNPFEDSA-N 2 2 312.417 3.123 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000389804998 434351410 /nfs/dbraw/zinc/35/14/10/434351410.db2.gz ABTIVUXPXZZWKZ-LSTHTHJFSA-N 2 2 322.452 3.100 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000389804998 434351419 /nfs/dbraw/zinc/35/14/19/434351419.db2.gz ABTIVUXPXZZWKZ-LSTHTHJFSA-N 2 2 322.452 3.100 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389850178 434353236 /nfs/dbraw/zinc/35/32/36/434353236.db2.gz UQOFIXFPGCZVOV-CSODHUTKSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389850178 434353242 /nfs/dbraw/zinc/35/32/42/434353242.db2.gz UQOFIXFPGCZVOV-CSODHUTKSA-N 2 2 324.468 3.433 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423313775 434353921 /nfs/dbraw/zinc/35/39/21/434353921.db2.gz UUWLDUGVYLVUPB-NSHDSACASA-N 2 2 315.255 3.108 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423305132 434354975 /nfs/dbraw/zinc/35/49/75/434354975.db2.gz BCVGTEDPGGUJGK-GFCCVEGCSA-N 2 2 304.356 3.278 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000390361424 434355136 /nfs/dbraw/zinc/35/51/36/434355136.db2.gz MFPJTBZWPVZQGN-MRXNPFEDSA-N 2 2 314.477 3.266 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000390361424 434355146 /nfs/dbraw/zinc/35/51/46/434355146.db2.gz MFPJTBZWPVZQGN-MRXNPFEDSA-N 2 2 314.477 3.266 20 0 DGADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417315573 434355625 /nfs/dbraw/zinc/35/56/25/434355625.db2.gz SJHAOOPMYQYPGJ-TTZDDIAXSA-N 2 2 310.532 3.267 20 0 DGADLP Cn1c(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)[nH+]c2ccccc21 ZINC000295428567 434360427 /nfs/dbraw/zinc/36/04/27/434360427.db2.gz OKSHXPJCCJBXND-OAHLLOKOSA-N 2 2 313.445 3.197 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCC2)cnn1-c1cc(C)ccc1C ZINC000423319412 434360730 /nfs/dbraw/zinc/36/07/30/434360730.db2.gz FFEQGYHQBVMKBV-HNNXBMFYSA-N 2 2 312.461 3.330 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCO[C@H]2C)[NH+](C)C)cc1 ZINC000348683912 434443133 /nfs/dbraw/zinc/44/31/33/434443133.db2.gz AZMXAZNAEKQADP-SNRMKQJTSA-N 2 2 304.478 3.255 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000423372779 434393095 /nfs/dbraw/zinc/39/30/95/434393095.db2.gz BIKJFAGKHWQKOK-NXEZZACHSA-N 2 2 305.285 3.468 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748979 434395560 /nfs/dbraw/zinc/39/55/60/434395560.db2.gz QWBVGDDSFMOPMF-CJNGLKHVSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748979 434395571 /nfs/dbraw/zinc/39/55/71/434395571.db2.gz QWBVGDDSFMOPMF-CJNGLKHVSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748979 434395582 /nfs/dbraw/zinc/39/55/82/434395582.db2.gz QWBVGDDSFMOPMF-CJNGLKHVSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748979 434395590 /nfs/dbraw/zinc/39/55/90/434395590.db2.gz QWBVGDDSFMOPMF-CJNGLKHVSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749229 434396031 /nfs/dbraw/zinc/39/60/31/434396031.db2.gz VDULXAZEVXTDQC-APWZRJJASA-N 3 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749229 434396040 /nfs/dbraw/zinc/39/60/40/434396040.db2.gz VDULXAZEVXTDQC-APWZRJJASA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749229 434396046 /nfs/dbraw/zinc/39/60/46/434396046.db2.gz VDULXAZEVXTDQC-APWZRJJASA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749229 434396054 /nfs/dbraw/zinc/39/60/54/434396054.db2.gz VDULXAZEVXTDQC-APWZRJJASA-N 3 2 312.461 3.177 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCOC1 ZINC000438100291 434401999 /nfs/dbraw/zinc/40/19/99/434401999.db2.gz CDRLKDHUVBWMHC-IRXDYDNUSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@H]1CCOC1 ZINC000438100291 434402006 /nfs/dbraw/zinc/40/20/06/434402006.db2.gz CDRLKDHUVBWMHC-IRXDYDNUSA-N 2 2 313.445 3.236 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cnn(C2CCCC2)c1 ZINC000423402039 434406866 /nfs/dbraw/zinc/40/68/66/434406866.db2.gz YBVVYIXMLPBMTN-YOEHRIQHSA-N 2 2 304.482 3.427 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cnn(C2CCCC2)c1 ZINC000423402038 434408335 /nfs/dbraw/zinc/40/83/35/434408335.db2.gz YBVVYIXMLPBMTN-WMLDXEAASA-N 2 2 304.482 3.427 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107525 434410855 /nfs/dbraw/zinc/41/08/55/434410855.db2.gz IORZUHRROKKQSB-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107525 434410861 /nfs/dbraw/zinc/41/08/61/434410861.db2.gz IORZUHRROKKQSB-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107525 434410866 /nfs/dbraw/zinc/41/08/66/434410866.db2.gz IORZUHRROKKQSB-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107525 434410871 /nfs/dbraw/zinc/41/08/71/434410871.db2.gz IORZUHRROKKQSB-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC3=CCCCC3)CCC[NH+]2C)cn1 ZINC000450793001 434412189 /nfs/dbraw/zinc/41/21/89/434412189.db2.gz PCACQSOFNKWKAK-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC3=CCCCC3)CCC[NH+]2C)cn1 ZINC000450793001 434412196 /nfs/dbraw/zinc/41/21/96/434412196.db2.gz PCACQSOFNKWKAK-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC3=CCCCC3)CCC[N@@H+]2C)cn1 ZINC000450793001 434412205 /nfs/dbraw/zinc/41/22/05/434412205.db2.gz PCACQSOFNKWKAK-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC3=CCCCC3)CCC[N@H+]2C)cn1 ZINC000450793001 434412212 /nfs/dbraw/zinc/41/22/12/434412212.db2.gz PCACQSOFNKWKAK-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CCC[NH2+]1 ZINC000423415482 434412285 /nfs/dbraw/zinc/41/22/85/434412285.db2.gz PCVAYQTYIBYDRY-KBXCAEBGSA-N 2 2 302.418 3.160 20 0 DGADLP COc1nc(C)cc(C)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287620081 434413274 /nfs/dbraw/zinc/41/32/74/434413274.db2.gz FDQNMZJXBFLNOC-QGZVFWFLSA-N 2 2 317.477 3.157 20 0 DGADLP COc1nc(C)cc(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287620081 434413283 /nfs/dbraw/zinc/41/32/83/434413283.db2.gz FDQNMZJXBFLNOC-QGZVFWFLSA-N 2 2 317.477 3.157 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117619 434414306 /nfs/dbraw/zinc/41/43/06/434414306.db2.gz OZLNNHBRFITWRZ-BBRMVZONSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117619 434414315 /nfs/dbraw/zinc/41/43/15/434414315.db2.gz OZLNNHBRFITWRZ-BBRMVZONSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117619 434414320 /nfs/dbraw/zinc/41/43/20/434414320.db2.gz OZLNNHBRFITWRZ-BBRMVZONSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@@H]21 ZINC000438117619 434414326 /nfs/dbraw/zinc/41/43/26/434414326.db2.gz OZLNNHBRFITWRZ-BBRMVZONSA-N 2 2 316.474 3.054 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CCC[NH2+]1 ZINC000423416686 434414824 /nfs/dbraw/zinc/41/48/24/434414824.db2.gz FYARCFGQWSDNSC-VQIMIIECSA-N 2 2 320.477 3.141 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)cc2C)CC[C@H]1[NH3+] ZINC000395128378 434415607 /nfs/dbraw/zinc/41/56/07/434415607.db2.gz PNBWUFCKFQLXNY-SWLSCSKDSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2C)CC[C@H]1[NH3+] ZINC000395128378 434415617 /nfs/dbraw/zinc/41/56/17/434415617.db2.gz PNBWUFCKFQLXNY-SWLSCSKDSA-N 2 2 311.267 3.317 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000423417076 434416593 /nfs/dbraw/zinc/41/65/93/434416593.db2.gz GMRKBKMAXOVSGN-DOMZBBRYSA-N 2 2 316.367 3.125 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2cc(Br)ccc2o1 ZINC000423433558 434419898 /nfs/dbraw/zinc/41/98/98/434419898.db2.gz NEMCTIZMAFBADR-GTEUGTGKSA-N 2 2 321.218 3.064 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)nc(C)[nH+]1 ZINC000450812379 434420002 /nfs/dbraw/zinc/42/00/02/434420002.db2.gz QBKJBBCLLSAIAQ-HNNXBMFYSA-N 2 2 310.445 3.052 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)nc(C)[nH+]1 ZINC000450812379 434420009 /nfs/dbraw/zinc/42/00/09/434420009.db2.gz QBKJBBCLLSAIAQ-HNNXBMFYSA-N 2 2 310.445 3.052 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423434451 434425031 /nfs/dbraw/zinc/42/50/31/434425031.db2.gz YAHVODDOAPWKQW-ULQDDVLXSA-N 3 2 312.461 3.288 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423443665 434427251 /nfs/dbraw/zinc/42/72/51/434427251.db2.gz XEIZXTYACKPMKO-JXFKEZNVSA-N 2 2 309.457 3.269 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2COC(C)(C)C2)CCC1 ZINC000396849782 434428118 /nfs/dbraw/zinc/42/81/18/434428118.db2.gz KCCDECTYIOJJCL-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2COC(C)(C)C2)CCC1 ZINC000396849782 434428123 /nfs/dbraw/zinc/42/81/23/434428123.db2.gz KCCDECTYIOJJCL-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000397107622 434429799 /nfs/dbraw/zinc/42/97/99/434429799.db2.gz RNEIETBNQATHKK-HXUWFJFHSA-N 2 2 309.457 3.453 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000397107622 434429811 /nfs/dbraw/zinc/42/98/11/434429811.db2.gz RNEIETBNQATHKK-HXUWFJFHSA-N 2 2 309.457 3.453 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000348641989 434430138 /nfs/dbraw/zinc/43/01/38/434430138.db2.gz MRQVSZWELWMXHQ-FRQCXROJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000348641989 434430151 /nfs/dbraw/zinc/43/01/51/434430151.db2.gz MRQVSZWELWMXHQ-FRQCXROJSA-N 2 2 302.462 3.054 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000353783990 434430294 /nfs/dbraw/zinc/43/02/94/434430294.db2.gz YCIUUABUDSWYRA-AWEZNQCLSA-N 2 2 310.869 3.103 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000397107620 434430336 /nfs/dbraw/zinc/43/03/36/434430336.db2.gz RNEIETBNQATHKK-FQEVSTJZSA-N 2 2 309.457 3.453 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000397107620 434430344 /nfs/dbraw/zinc/43/03/44/434430344.db2.gz RNEIETBNQATHKK-FQEVSTJZSA-N 2 2 309.457 3.453 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190590 434433583 /nfs/dbraw/zinc/43/35/83/434433583.db2.gz OJVWPPPXGZKFIH-LPHOPBHVSA-N 2 2 302.462 3.308 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190590 434433591 /nfs/dbraw/zinc/43/35/91/434433591.db2.gz OJVWPPPXGZKFIH-LPHOPBHVSA-N 2 2 302.462 3.308 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423463507 434435219 /nfs/dbraw/zinc/43/52/19/434435219.db2.gz LGKSTQKMEBTINM-FLFBIERCSA-N 3 2 315.505 3.003 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423463507 434435225 /nfs/dbraw/zinc/43/52/25/434435225.db2.gz LGKSTQKMEBTINM-FLFBIERCSA-N 3 2 315.505 3.003 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423477399 434439895 /nfs/dbraw/zinc/43/98/95/434439895.db2.gz TYQJPQMEWLYCIW-SMDDNHRTSA-N 2 2 306.841 3.222 20 0 DGADLP COC1(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCCC1 ZINC000359976093 434458630 /nfs/dbraw/zinc/45/86/30/434458630.db2.gz MTDVJSZGNWFCNW-UHFFFAOYSA-N 2 2 313.445 3.023 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423498984 434459060 /nfs/dbraw/zinc/45/90/60/434459060.db2.gz IWINDMCBHXSYEJ-KDOFPFPSSA-N 2 2 300.450 3.377 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423497215 434462459 /nfs/dbraw/zinc/46/24/59/434462459.db2.gz GFXSWUGHMBHPCK-GUYCJALGSA-N 2 2 312.413 3.328 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@@H](C)C1 ZINC000359996215 434469211 /nfs/dbraw/zinc/46/92/11/434469211.db2.gz VUIZYUVBNMIWQI-JSGCOSHPSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@@H](C)C1 ZINC000359996215 434469220 /nfs/dbraw/zinc/46/92/20/434469220.db2.gz VUIZYUVBNMIWQI-JSGCOSHPSA-N 2 2 320.868 3.047 20 0 DGADLP CC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000423520227 434473101 /nfs/dbraw/zinc/47/31/01/434473101.db2.gz DYMBMHJHAIAAFY-NEWSRXKRSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000423523239 434473959 /nfs/dbraw/zinc/47/39/59/434473959.db2.gz MZGATGQGBJKDSH-BDAKNGLRSA-N 2 2 323.651 3.286 20 0 DGADLP COc1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)sn1 ZINC000399200721 434474207 /nfs/dbraw/zinc/47/42/07/434474207.db2.gz LGYLOQSGAQNUNC-AWEZNQCLSA-N 2 2 319.474 3.152 20 0 DGADLP COc1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)sn1 ZINC000399200721 434474219 /nfs/dbraw/zinc/47/42/19/434474219.db2.gz LGYLOQSGAQNUNC-AWEZNQCLSA-N 2 2 319.474 3.152 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2F)s1 ZINC000423527526 434475074 /nfs/dbraw/zinc/47/50/74/434475074.db2.gz RQRWWYIXISHNGF-OLZOCXBDSA-N 2 2 320.433 3.193 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(F)cn1 ZINC000287906244 434475419 /nfs/dbraw/zinc/47/54/19/434475419.db2.gz ZXDFSDHQDZAYOH-ZDUSSCGKSA-N 2 2 318.396 3.167 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Cl ZINC000423525992 434475826 /nfs/dbraw/zinc/47/58/26/434475826.db2.gz USOXESZHCSILNK-WDEREUQCSA-N 2 2 303.233 3.023 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399762761 434480691 /nfs/dbraw/zinc/48/06/91/434480691.db2.gz TZXGDBMXUDFFQH-XLIONFOSSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399762761 434480698 /nfs/dbraw/zinc/48/06/98/434480698.db2.gz TZXGDBMXUDFFQH-XLIONFOSSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399820086 434482019 /nfs/dbraw/zinc/48/20/19/434482019.db2.gz PGVMYLHBBMGBBV-FXAWDEMLSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000399820086 434482029 /nfs/dbraw/zinc/48/20/29/434482029.db2.gz PGVMYLHBBMGBBV-FXAWDEMLSA-N 2 2 309.457 3.185 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Br)s1 ZINC000423559762 434489231 /nfs/dbraw/zinc/48/92/31/434489231.db2.gz OYYCFVXDJKCZEW-VHSXEESVSA-N 2 2 303.269 3.303 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062001 434498673 /nfs/dbraw/zinc/49/86/73/434498673.db2.gz UOWWKZWICJKIQN-BFHYXJOUSA-N 2 2 305.491 3.299 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062001 434498678 /nfs/dbraw/zinc/49/86/78/434498678.db2.gz UOWWKZWICJKIQN-BFHYXJOUSA-N 2 2 305.491 3.299 20 0 DGADLP Cc1ccc2nc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cn2c1 ZINC000341033477 434500587 /nfs/dbraw/zinc/50/05/87/434500587.db2.gz WPGUSPDTQGHSNH-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000398210175 434454017 /nfs/dbraw/zinc/45/40/17/434454017.db2.gz PHOOOAUQQQEQNU-ROUUACIJSA-N 2 2 306.519 3.486 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000398210175 434454028 /nfs/dbraw/zinc/45/40/28/434454028.db2.gz PHOOOAUQQQEQNU-ROUUACIJSA-N 2 2 306.519 3.486 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000423496102 434458264 /nfs/dbraw/zinc/45/82/64/434458264.db2.gz DEKNEMKKBRSYTJ-ABAIWWIYSA-N 2 2 320.868 3.395 20 0 DGADLP CC[N@H+](CCCc1c[nH+]ccc1C)CC(=O)N1CCCCCC1 ZINC000348835681 434515261 /nfs/dbraw/zinc/51/52/61/434515261.db2.gz ARTHPLSEYPSGMB-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)CC(=O)N1CCCCCC1 ZINC000348835681 434515269 /nfs/dbraw/zinc/51/52/69/434515269.db2.gz ARTHPLSEYPSGMB-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)Cc1ccccc1 ZINC000348833041 434517637 /nfs/dbraw/zinc/51/76/37/434517637.db2.gz LLLBMINHQRYJLA-INIZCTEOSA-N 2 2 306.413 3.617 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988848 434560301 /nfs/dbraw/zinc/56/03/01/434560301.db2.gz YHTMEWVRBHOSOU-WOJBJXKFSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988848 434560307 /nfs/dbraw/zinc/56/03/07/434560307.db2.gz YHTMEWVRBHOSOU-WOJBJXKFSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353988848 434560315 /nfs/dbraw/zinc/56/03/15/434560315.db2.gz YHTMEWVRBHOSOU-WOJBJXKFSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353988848 434560321 /nfs/dbraw/zinc/56/03/21/434560321.db2.gz YHTMEWVRBHOSOU-WOJBJXKFSA-N 2 2 315.505 3.115 20 0 DGADLP CC(C)(C[NH2+]Cc1cc(F)c(F)cc1F)C[NH+]1CCCC1 ZINC000360168493 434537789 /nfs/dbraw/zinc/53/77/89/434537789.db2.gz MJNYWXIIYRPEEN-UHFFFAOYSA-N 2 2 300.368 3.316 20 0 DGADLP Cc1ccc(C[NH+](CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1 ZINC000348933657 434559483 /nfs/dbraw/zinc/55/94/83/434559483.db2.gz JNLWXMBXPHZXCR-UHFFFAOYSA-N 3 2 305.510 3.009 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2NCc1ccc[nH+]c1N1CCOCC1 ZINC000527838837 295137952 /nfs/dbraw/zinc/13/79/52/295137952.db2.gz CUHPUXSQUYDNDH-UHFFFAOYSA-N 2 2 320.396 3.079 20 0 DGADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000527866778 295142603 /nfs/dbraw/zinc/14/26/03/295142603.db2.gz WKWATWCQWGUVGM-TXPKVOOTSA-N 2 2 303.494 3.097 20 0 DGADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527866778 295142605 /nfs/dbraw/zinc/14/26/05/295142605.db2.gz WKWATWCQWGUVGM-TXPKVOOTSA-N 2 2 303.494 3.097 20 0 DGADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000527866775 295142734 /nfs/dbraw/zinc/14/27/34/295142734.db2.gz WKWATWCQWGUVGM-BXWFABGCSA-N 2 2 303.494 3.097 20 0 DGADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527866775 295142735 /nfs/dbraw/zinc/14/27/35/295142735.db2.gz WKWATWCQWGUVGM-BXWFABGCSA-N 2 2 303.494 3.097 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC12CC2 ZINC000527882379 295145019 /nfs/dbraw/zinc/14/50/19/295145019.db2.gz CXSJXOKGDRMNDP-PBHICJAKSA-N 2 2 314.477 3.213 20 0 DGADLP COc1ccc[nH+]c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000527887317 295145674 /nfs/dbraw/zinc/14/56/74/295145674.db2.gz PFPSRGPJTWXWMC-KRWDZBQOSA-N 2 2 311.429 3.067 20 0 DGADLP COc1ccc[nH+]c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000527887317 295145675 /nfs/dbraw/zinc/14/56/75/295145675.db2.gz PFPSRGPJTWXWMC-KRWDZBQOSA-N 2 2 311.429 3.067 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)CC2)n1 ZINC000528002888 295164668 /nfs/dbraw/zinc/16/46/68/295164668.db2.gz RESCIAWVIZJZFY-VMBOVVBDSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)CC2)n1 ZINC000528002888 295164669 /nfs/dbraw/zinc/16/46/69/295164669.db2.gz RESCIAWVIZJZFY-VMBOVVBDSA-N 2 2 318.465 3.011 20 0 DGADLP CCn1c[nH+]cc1CN(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000418064371 434576319 /nfs/dbraw/zinc/57/63/19/434576319.db2.gz IBWLLZLBLDZSKU-UHFFFAOYSA-N 2 2 320.868 3.120 20 0 DGADLP c1nc(C2CC2)ncc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000459388369 434578272 /nfs/dbraw/zinc/57/82/72/434578272.db2.gz LLTKJPCKBMJBMD-UHFFFAOYSA-N 2 2 314.477 3.098 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](OC)c1ccc(F)cc1 ZINC000528400242 295208236 /nfs/dbraw/zinc/20/82/36/295208236.db2.gz MIIIAODBBFLFMX-SQNIBIBYSA-N 2 2 306.425 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](OC)c1ccc(F)cc1 ZINC000528400242 295208238 /nfs/dbraw/zinc/20/82/38/295208238.db2.gz MIIIAODBBFLFMX-SQNIBIBYSA-N 2 2 306.425 3.072 20 0 DGADLP Clc1cccnc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528428630 295212631 /nfs/dbraw/zinc/21/26/31/295212631.db2.gz NNOADTYIHGAVQJ-UHFFFAOYSA-N 2 2 302.809 3.207 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427487 295212724 /nfs/dbraw/zinc/21/27/24/295212724.db2.gz ZSBFLRCLAHBYJL-FHLIZLRMSA-N 2 2 317.408 3.293 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427487 295212725 /nfs/dbraw/zinc/21/27/25/295212725.db2.gz ZSBFLRCLAHBYJL-FHLIZLRMSA-N 2 2 317.408 3.293 20 0 DGADLP Cc1cc(NC(=O)[C@@]2(C)CC[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000423909117 434575293 /nfs/dbraw/zinc/57/52/93/434575293.db2.gz PSHPFEYGYQHCRD-SFHVURJKSA-N 2 2 311.385 3.120 20 0 DGADLP C[C@H](C[NH2+]CC1([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000418112814 434588975 /nfs/dbraw/zinc/58/89/75/434588975.db2.gz HWKYNWQZIFMHNU-GFCCVEGCSA-N 2 2 311.267 3.236 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](CO)CC3CCCCC3)n2c1 ZINC000418122236 434592736 /nfs/dbraw/zinc/59/27/36/434592736.db2.gz DRLJLUQCXLBKMY-MRXNPFEDSA-N 2 2 301.434 3.064 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(Cl)s1 ZINC000349126572 434613330 /nfs/dbraw/zinc/61/33/30/434613330.db2.gz GRERRZNTYPWQOC-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000349126572 434613337 /nfs/dbraw/zinc/61/33/37/434613337.db2.gz GRERRZNTYPWQOC-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP C[N@H+](C[C@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583097 434620936 /nfs/dbraw/zinc/62/09/36/434620936.db2.gz SIQIZFRBDWXVOT-RBUKOAKNSA-N 2 2 314.473 3.059 20 0 DGADLP C[N@@H+](C[C@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583097 434620941 /nfs/dbraw/zinc/62/09/41/434620941.db2.gz SIQIZFRBDWXVOT-RBUKOAKNSA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583097 434620946 /nfs/dbraw/zinc/62/09/46/434620946.db2.gz SIQIZFRBDWXVOT-RBUKOAKNSA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459583097 434620953 /nfs/dbraw/zinc/62/09/53/434620953.db2.gz SIQIZFRBDWXVOT-RBUKOAKNSA-N 2 2 314.473 3.059 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000354111442 434622608 /nfs/dbraw/zinc/62/26/08/434622608.db2.gz SLXKFNYPMVOQHR-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000354111442 434622611 /nfs/dbraw/zinc/62/26/11/434622611.db2.gz SLXKFNYPMVOQHR-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1OC ZINC000354124372 434632577 /nfs/dbraw/zinc/63/25/77/434632577.db2.gz KDINPILGPKHCSX-GJZGRUSLSA-N 2 2 308.466 3.126 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1OC ZINC000354124372 434632582 /nfs/dbraw/zinc/63/25/82/434632582.db2.gz KDINPILGPKHCSX-GJZGRUSLSA-N 2 2 308.466 3.126 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000360561545 434636358 /nfs/dbraw/zinc/63/63/58/434636358.db2.gz JEBNZPGEPSEOJR-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)on2)cc1 ZINC000360561545 434636361 /nfs/dbraw/zinc/63/63/61/434636361.db2.gz JEBNZPGEPSEOJR-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000424157026 434638350 /nfs/dbraw/zinc/63/83/50/434638350.db2.gz OXEJRVAZBZWURF-HZPDHXFCSA-N 2 2 306.498 3.310 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000459640572 434643927 /nfs/dbraw/zinc/64/39/27/434643927.db2.gz XGDIBQWCFCHXJN-OWYHZJEWSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000459640572 434643933 /nfs/dbraw/zinc/64/39/33/434643933.db2.gz XGDIBQWCFCHXJN-OWYHZJEWSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)n1c[nH+]cc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000424172776 434645012 /nfs/dbraw/zinc/64/50/12/434645012.db2.gz DMMBVCNMOSALKI-NSHDSACASA-N 2 2 323.238 3.472 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000349368001 434693099 /nfs/dbraw/zinc/69/30/99/434693099.db2.gz NDOPUARWJXAWKT-UHFFFAOYSA-N 2 2 318.368 3.189 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000349368001 434693102 /nfs/dbraw/zinc/69/31/02/434693102.db2.gz NDOPUARWJXAWKT-UHFFFAOYSA-N 2 2 318.368 3.189 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664063 434654142 /nfs/dbraw/zinc/65/41/42/434654142.db2.gz HVTYMPIMFUOWLU-NODPJGRNSA-N 2 2 308.828 3.407 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664063 434654148 /nfs/dbraw/zinc/65/41/48/434654148.db2.gz HVTYMPIMFUOWLU-NODPJGRNSA-N 2 2 308.828 3.407 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000459672839 434656580 /nfs/dbraw/zinc/65/65/80/434656580.db2.gz GWIRDXPQEPSNBX-OTBHMBEGSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459672839 434656581 /nfs/dbraw/zinc/65/65/81/434656581.db2.gz GWIRDXPQEPSNBX-OTBHMBEGSA-N 2 2 316.489 3.444 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000371292527 434666760 /nfs/dbraw/zinc/66/67/60/434666760.db2.gz CMDUIHGXHXBDJQ-IKGGRYGDSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000371292527 434666767 /nfs/dbraw/zinc/66/67/67/434666767.db2.gz CMDUIHGXHXBDJQ-IKGGRYGDSA-N 2 2 308.853 3.024 20 0 DGADLP COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000459696803 434668788 /nfs/dbraw/zinc/66/87/88/434668788.db2.gz KAQGKTVVXYNGRR-KRWDZBQOSA-N 2 2 319.408 3.138 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000349311432 434668999 /nfs/dbraw/zinc/66/89/99/434668999.db2.gz JHHCGEJZCZRCDJ-BARLLCKDSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000349311432 434669006 /nfs/dbraw/zinc/66/90/06/434669006.db2.gz JHHCGEJZCZRCDJ-BARLLCKDSA-N 2 2 302.462 3.195 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000424275826 434672960 /nfs/dbraw/zinc/67/29/60/434672960.db2.gz COJYSMDITPHFNF-NEPJUHHUSA-N 2 2 305.809 3.211 20 0 DGADLP COc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)c(OC)c1 ZINC000354215260 434675520 /nfs/dbraw/zinc/67/55/20/434675520.db2.gz HGVQXVQKBITZAI-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000424340921 434701658 /nfs/dbraw/zinc/70/16/58/434701658.db2.gz ZHIISQHNUCOUPB-IAOVAPTHSA-N 2 2 317.477 3.171 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000424336408 434703762 /nfs/dbraw/zinc/70/37/62/434703762.db2.gz QNNJRZIYWPWHOT-IEBWSBKVSA-N 2 2 323.440 3.152 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000424365739 434712203 /nfs/dbraw/zinc/71/22/03/434712203.db2.gz HUAJAGKLLFBLKF-GHMZBOCLSA-N 2 2 303.269 3.179 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000424376154 434714966 /nfs/dbraw/zinc/71/49/66/434714966.db2.gz ORJYKMFMDAKPJH-MANSERQUSA-N 2 2 300.446 3.267 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000442665550 434769915 /nfs/dbraw/zinc/76/99/15/434769915.db2.gz PIHVBTOVZXWWHI-CABCVRRESA-N 2 2 300.450 3.144 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000442665550 434769919 /nfs/dbraw/zinc/76/99/19/434769919.db2.gz PIHVBTOVZXWWHI-CABCVRRESA-N 2 2 300.450 3.144 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2c1 ZINC000411317898 434760668 /nfs/dbraw/zinc/76/06/68/434760668.db2.gz CSAOOPIODFLABI-PXNSSMCTSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000411317898 434760672 /nfs/dbraw/zinc/76/06/72/434760672.db2.gz CSAOOPIODFLABI-PXNSSMCTSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317898 434760675 /nfs/dbraw/zinc/76/06/75/434760675.db2.gz CSAOOPIODFLABI-PXNSSMCTSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317898 434760677 /nfs/dbraw/zinc/76/06/77/434760677.db2.gz CSAOOPIODFLABI-PXNSSMCTSA-N 2 2 309.457 3.459 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000361002012 434761435 /nfs/dbraw/zinc/76/14/35/434761435.db2.gz HWCCTAJGNOHSKD-ATZDWAIDSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000361002012 434761438 /nfs/dbraw/zinc/76/14/38/434761438.db2.gz HWCCTAJGNOHSKD-ATZDWAIDSA-N 2 2 302.462 3.227 20 0 DGADLP CN(Cc1[nH+]ccn1C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411406055 434775860 /nfs/dbraw/zinc/77/58/60/434775860.db2.gz AXGTXHJAURRTEL-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP Cn1ccnc1C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411406055 434775866 /nfs/dbraw/zinc/77/58/66/434775866.db2.gz AXGTXHJAURRTEL-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP Cn1ccnc1C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411406055 434775870 /nfs/dbraw/zinc/77/58/70/434775870.db2.gz AXGTXHJAURRTEL-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000371983061 434779511 /nfs/dbraw/zinc/77/95/11/434779511.db2.gz DNSBAYLTOGDZOP-KRWDZBQOSA-N 2 2 311.429 3.048 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000092567035 297283001 /nfs/dbraw/zinc/28/30/01/297283001.db2.gz QALJSWSJWAGWBM-PRLABOORSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000092567035 297283003 /nfs/dbraw/zinc/28/30/03/297283003.db2.gz QALJSWSJWAGWBM-PRLABOORSA-N 2 2 322.493 3.102 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361109017 434798035 /nfs/dbraw/zinc/79/80/35/434798035.db2.gz DHMIGWIIKDUAGZ-UHFFFAOYSA-N 2 2 304.397 3.400 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000361109017 434798039 /nfs/dbraw/zinc/79/80/39/434798039.db2.gz DHMIGWIIKDUAGZ-UHFFFAOYSA-N 2 2 304.397 3.400 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccncn1 ZINC000453111365 434805450 /nfs/dbraw/zinc/80/54/50/434805450.db2.gz DTEVUEMPAHUMRO-HZPDHXFCSA-N 2 2 310.445 3.353 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CCC[N@@H+](C4CCCC4)CC3)n21 ZINC000372413674 434823134 /nfs/dbraw/zinc/82/31/34/434823134.db2.gz PGUMDUVTQSIAOC-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CCC[N@H+](C4CCCC4)CC3)n21 ZINC000372413674 434823137 /nfs/dbraw/zinc/82/31/37/434823137.db2.gz PGUMDUVTQSIAOC-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CCn1cc[nH+]c1[C@H](C)Nc1cccc(OCC[NH+](C)C)c1 ZINC000453185870 434823715 /nfs/dbraw/zinc/82/37/15/434823715.db2.gz VNTLVSZQMDXRSX-AWEZNQCLSA-N 2 2 302.422 3.017 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361187773 434824650 /nfs/dbraw/zinc/82/46/50/434824650.db2.gz JHMONAQMQAWTKE-XUJVJEKNSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361187773 434824655 /nfs/dbraw/zinc/82/46/55/434824655.db2.gz JHMONAQMQAWTKE-XUJVJEKNSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361187548 434825614 /nfs/dbraw/zinc/82/56/14/434825614.db2.gz JHMONAQMQAWTKE-HUBLWGQQSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361187548 434825619 /nfs/dbraw/zinc/82/56/19/434825619.db2.gz JHMONAQMQAWTKE-HUBLWGQQSA-N 2 2 308.372 3.005 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000453208998 434829108 /nfs/dbraw/zinc/82/91/08/434829108.db2.gz KWJPGBQTCINJRW-LPHOPBHVSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000453208998 434829113 /nfs/dbraw/zinc/82/91/13/434829113.db2.gz KWJPGBQTCINJRW-LPHOPBHVSA-N 2 2 301.478 3.399 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412058677 434863418 /nfs/dbraw/zinc/86/34/18/434863418.db2.gz VKQSYMRVNMWZSW-UHFFFAOYSA-N 2 2 309.413 3.050 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250448 434840210 /nfs/dbraw/zinc/84/02/10/434840210.db2.gz AGQRDZXRRAGIEQ-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250448 434840215 /nfs/dbraw/zinc/84/02/15/434840215.db2.gz AGQRDZXRRAGIEQ-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453265324 434845196 /nfs/dbraw/zinc/84/51/96/434845196.db2.gz NLUJKAVCQVBQJG-RBUKOAKNSA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453265324 434845198 /nfs/dbraw/zinc/84/51/98/434845198.db2.gz NLUJKAVCQVBQJG-RBUKOAKNSA-N 2 2 304.478 3.210 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1C ZINC000411939567 434845893 /nfs/dbraw/zinc/84/58/93/434845893.db2.gz KKRROXNZPFHDRK-WMZOPIPTSA-N 2 2 312.413 3.015 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1C ZINC000411939567 434845897 /nfs/dbraw/zinc/84/58/97/434845897.db2.gz KKRROXNZPFHDRK-WMZOPIPTSA-N 2 2 312.413 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694375 434847574 /nfs/dbraw/zinc/84/75/74/434847574.db2.gz NUGGTBDZUMHGTN-MJGOQNOKSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694375 434847578 /nfs/dbraw/zinc/84/75/78/434847578.db2.gz NUGGTBDZUMHGTN-MJGOQNOKSA-N 2 2 316.489 3.354 20 0 DGADLP OCC1([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC000412005410 434853323 /nfs/dbraw/zinc/85/33/23/434853323.db2.gz FEHNTRPPMYEWBN-SFHVURJKSA-N 2 2 313.445 3.157 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCOc4c(F)cccc43)c[nH+]c12 ZINC000372875345 434860182 /nfs/dbraw/zinc/86/01/82/434860182.db2.gz AZVUTNNGRSGHMF-MRXNPFEDSA-N 2 2 311.360 3.395 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000553095028 434878989 /nfs/dbraw/zinc/87/89/89/434878989.db2.gz CBOUHXFZYVRPDG-WMZOPIPTSA-N 2 2 324.509 3.208 20 0 DGADLP CC(C)C[C@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)n1cc[nH+]c1 ZINC000637857881 434894155 /nfs/dbraw/zinc/89/41/55/434894155.db2.gz UOERPGURAYCGMW-CZUORRHYSA-N 2 2 300.406 3.129 20 0 DGADLP Cc1ccc(NC(=O)NCC[NH2+]C2CCCCCC2)c(C)[nH+]1 ZINC000521834648 434898377 /nfs/dbraw/zinc/89/83/77/434898377.db2.gz IKAZFAOJRUEPRQ-UHFFFAOYSA-N 2 2 304.438 3.132 20 0 DGADLP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)O[C@@H](C)C2 ZINC000573437275 434899017 /nfs/dbraw/zinc/89/90/17/434899017.db2.gz ZDOBQEOPERZGFV-UYHISHBKSA-N 2 2 324.424 3.253 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000573448646 434901537 /nfs/dbraw/zinc/90/15/37/434901537.db2.gz HRCMTNXIEYZMNB-OAHLLOKOSA-N 2 2 314.433 3.315 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000553757708 434902909 /nfs/dbraw/zinc/90/29/09/434902909.db2.gz USQLCOARJHFGQG-ZWKOTPCHSA-N 2 2 315.505 3.365 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000553757708 434902915 /nfs/dbraw/zinc/90/29/15/434902915.db2.gz USQLCOARJHFGQG-ZWKOTPCHSA-N 2 2 315.505 3.365 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000573016188 434867365 /nfs/dbraw/zinc/86/73/65/434867365.db2.gz JSUTZKPLSARMHZ-HNNXBMFYSA-N 2 2 315.392 3.012 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000573016188 434867371 /nfs/dbraw/zinc/86/73/71/434867371.db2.gz JSUTZKPLSARMHZ-HNNXBMFYSA-N 2 2 315.392 3.012 20 0 DGADLP C[NH+](C)[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccccc1 ZINC000523401207 434946971 /nfs/dbraw/zinc/94/69/71/434946971.db2.gz YLSMQDVBWDHTKU-SFHVURJKSA-N 2 2 320.396 3.318 20 0 DGADLP CCC(CC)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000492275706 434949498 /nfs/dbraw/zinc/94/94/98/434949498.db2.gz OUFYGFOSLZDCOD-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP CCC(CC)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000492275706 434949501 /nfs/dbraw/zinc/94/95/01/434949501.db2.gz OUFYGFOSLZDCOD-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H](C)C3)CC2)c1 ZINC000462673101 434924901 /nfs/dbraw/zinc/92/49/01/434924901.db2.gz HMDCWFGRZSYWOX-MOPGFXCFSA-N 2 2 315.505 3.285 20 0 DGADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554372481 434925263 /nfs/dbraw/zinc/92/52/63/434925263.db2.gz MDCWDSFFVWTWEQ-SGTLLEGYSA-N 2 2 304.409 3.112 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462839910 434932582 /nfs/dbraw/zinc/93/25/82/434932582.db2.gz OZSMIVXXVTYVHV-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462839910 434932587 /nfs/dbraw/zinc/93/25/87/434932587.db2.gz OZSMIVXXVTYVHV-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017876 434933070 /nfs/dbraw/zinc/93/30/70/434933070.db2.gz JFOUXHQLUQLJKN-MJGOQNOKSA-N 2 2 310.445 3.047 20 0 DGADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017876 434933074 /nfs/dbraw/zinc/93/30/74/434933074.db2.gz JFOUXHQLUQLJKN-MJGOQNOKSA-N 2 2 310.445 3.047 20 0 DGADLP c1cn(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH+]1 ZINC000638284638 434996412 /nfs/dbraw/zinc/99/64/12/434996412.db2.gz BTWCIFUGMVZVKT-QUCCMNQESA-N 3 2 324.472 3.231 20 0 DGADLP c1cn(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH+]1 ZINC000638284638 434996415 /nfs/dbraw/zinc/99/64/15/434996415.db2.gz BTWCIFUGMVZVKT-QUCCMNQESA-N 3 2 324.472 3.231 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CC(n2cccn2)C1)c1ccccc1 ZINC000638288118 434997780 /nfs/dbraw/zinc/99/77/80/434997780.db2.gz ZRJCMFQEMFRPAJ-ACBHZAAOSA-N 2 2 312.461 3.259 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000574703161 434998937 /nfs/dbraw/zinc/99/89/37/434998937.db2.gz AOKORYFBCMTFKZ-RDTXWAMCSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000574703161 434998939 /nfs/dbraw/zinc/99/89/39/434998939.db2.gz AOKORYFBCMTFKZ-RDTXWAMCSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@@H]3CCCC[N@H+]3CC(C)C)cn2c1 ZINC000556415898 435007549 /nfs/dbraw/zinc/00/75/49/435007549.db2.gz TUEPRRYHHVZFRX-SFHVURJKSA-N 2 2 314.477 3.243 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@@H]3CCCC[N@@H+]3CC(C)C)cn2c1 ZINC000556415898 435007553 /nfs/dbraw/zinc/00/75/53/435007553.db2.gz TUEPRRYHHVZFRX-SFHVURJKSA-N 2 2 314.477 3.243 20 0 DGADLP CO[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000638340930 435008597 /nfs/dbraw/zinc/00/85/97/435008597.db2.gz GIRKHHCPXVZSCD-IBGZPJMESA-N 2 2 313.445 3.226 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]CC2CCSCC2)c[nH+]1 ZINC000638343612 435009168 /nfs/dbraw/zinc/00/91/68/435009168.db2.gz QTQZSWMJQJHMGJ-UHFFFAOYSA-N 2 2 301.459 3.164 20 0 DGADLP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000557695632 435063335 /nfs/dbraw/zinc/06/33/35/435063335.db2.gz XDOFBDDRGXSXAS-MJGOQNOKSA-N 2 2 312.461 3.389 20 0 DGADLP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000557695632 435063337 /nfs/dbraw/zinc/06/33/37/435063337.db2.gz XDOFBDDRGXSXAS-MJGOQNOKSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638661118 435066010 /nfs/dbraw/zinc/06/60/10/435066010.db2.gz XYAZGZPIQNKOBK-ICSRJNTNSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638661118 435066014 /nfs/dbraw/zinc/06/60/14/435066014.db2.gz XYAZGZPIQNKOBK-ICSRJNTNSA-N 2 2 324.472 3.361 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000638676699 435067429 /nfs/dbraw/zinc/06/74/29/435067429.db2.gz PZFDVKYDSRNRAH-LPHOPBHVSA-N 2 2 310.445 3.176 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000638676699 435067434 /nfs/dbraw/zinc/06/74/34/435067434.db2.gz PZFDVKYDSRNRAH-LPHOPBHVSA-N 2 2 310.445 3.176 20 0 DGADLP COCC1(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCC1 ZINC000638701497 435073741 /nfs/dbraw/zinc/07/37/41/435073741.db2.gz VGDHKBNKTQRAAV-KRWDZBQOSA-N 2 2 313.445 3.110 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638708141 435073981 /nfs/dbraw/zinc/07/39/81/435073981.db2.gz ZGLWNXPZAMGSHG-XBMUEBEBSA-N 2 2 302.462 3.056 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638708141 435073986 /nfs/dbraw/zinc/07/39/86/435073986.db2.gz ZGLWNXPZAMGSHG-XBMUEBEBSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000531141790 435075139 /nfs/dbraw/zinc/07/51/39/435075139.db2.gz CAAHPRVQWOTPHF-OAHLLOKOSA-N 2 2 321.484 3.492 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773500 435086920 /nfs/dbraw/zinc/08/69/20/435086920.db2.gz ATVPBNNJLQSVID-XPTSAGLGSA-N 2 2 314.260 3.148 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773500 435086924 /nfs/dbraw/zinc/08/69/24/435086924.db2.gz ATVPBNNJLQSVID-XPTSAGLGSA-N 2 2 314.260 3.148 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811451 435093856 /nfs/dbraw/zinc/09/38/56/435093856.db2.gz AKATZBOVVMHRPM-FXAWDEMLSA-N 2 2 322.456 3.243 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811451 435093858 /nfs/dbraw/zinc/09/38/58/435093858.db2.gz AKATZBOVVMHRPM-FXAWDEMLSA-N 2 2 322.456 3.243 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493077104 435104060 /nfs/dbraw/zinc/10/40/60/435104060.db2.gz AIXBIRLEWDYSIL-FEAKQIBJSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493077104 435104063 /nfs/dbraw/zinc/10/40/63/435104063.db2.gz AIXBIRLEWDYSIL-FEAKQIBJSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)cc2)C1 ZINC000493110719 435108770 /nfs/dbraw/zinc/10/87/70/435108770.db2.gz AOKDWVGZKUELRK-HVHJFMEUSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)cc2)C1 ZINC000493110719 435108774 /nfs/dbraw/zinc/10/87/74/435108774.db2.gz AOKDWVGZKUELRK-HVHJFMEUSA-N 2 2 324.428 3.294 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000578766007 435110003 /nfs/dbraw/zinc/11/00/03/435110003.db2.gz WGKWMYMAVVGDJD-KRWDZBQOSA-N 2 2 324.472 3.143 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000467335352 435117766 /nfs/dbraw/zinc/11/77/66/435117766.db2.gz QFKQWIUJGSPFKB-IUODEOHRSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000467335352 435117770 /nfs/dbraw/zinc/11/77/70/435117770.db2.gz QFKQWIUJGSPFKB-IUODEOHRSA-N 2 2 312.379 3.463 20 0 DGADLP Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000531859255 435122995 /nfs/dbraw/zinc/12/29/95/435122995.db2.gz WSNQCSMMKPBFMR-UHFFFAOYSA-N 2 2 304.482 3.465 20 0 DGADLP Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000531859255 435122999 /nfs/dbraw/zinc/12/29/99/435122999.db2.gz WSNQCSMMKPBFMR-UHFFFAOYSA-N 2 2 304.482 3.465 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CCCCC1 ZINC000559145242 435123260 /nfs/dbraw/zinc/12/32/60/435123260.db2.gz GGMRXAAVKJZTTP-QWFCFKBJSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C1CCCCC1 ZINC000559145242 435123263 /nfs/dbraw/zinc/12/32/63/435123263.db2.gz GGMRXAAVKJZTTP-QWFCFKBJSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966802 435130115 /nfs/dbraw/zinc/13/01/15/435130115.db2.gz CTXKIQLXDKEKNI-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966802 435130117 /nfs/dbraw/zinc/13/01/17/435130117.db2.gz CTXKIQLXDKEKNI-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC[C@@H]1CCO1)C1CC1 ZINC000639062300 435141010 /nfs/dbraw/zinc/14/10/10/435141010.db2.gz XPTULXXMGGDAPI-MOPGFXCFSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC[C@@H]1CCO1)C1CC1 ZINC000639062300 435141012 /nfs/dbraw/zinc/14/10/12/435141012.db2.gz XPTULXXMGGDAPI-MOPGFXCFSA-N 2 2 302.462 3.056 20 0 DGADLP C1CCC([N@@H+]2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060887 435144126 /nfs/dbraw/zinc/14/41/26/435144126.db2.gz SAAUKVASQYCPQA-UKBAYJJMSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060887 435144132 /nfs/dbraw/zinc/14/41/32/435144132.db2.gz SAAUKVASQYCPQA-UKBAYJJMSA-N 2 2 306.494 3.188 20 0 DGADLP CCOC1CC(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000639090124 435150677 /nfs/dbraw/zinc/15/06/77/435150677.db2.gz GEKZWHDGQIRVFQ-LOTPSLMQSA-N 2 2 304.478 3.391 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000494479618 435195226 /nfs/dbraw/zinc/19/52/26/435195226.db2.gz WHFXDWYCBZKANW-IPELMVKDSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000494479618 435195230 /nfs/dbraw/zinc/19/52/30/435195230.db2.gz WHFXDWYCBZKANW-IPELMVKDSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159215 435150971 /nfs/dbraw/zinc/15/09/71/435150971.db2.gz KSAATLRCEPGJNM-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159215 435150977 /nfs/dbraw/zinc/15/09/77/435150977.db2.gz KSAATLRCEPGJNM-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159215 435150980 /nfs/dbraw/zinc/15/09/80/435150980.db2.gz KSAATLRCEPGJNM-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159215 435150983 /nfs/dbraw/zinc/15/09/83/435150983.db2.gz KSAATLRCEPGJNM-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(-c3ccccc3)n[nH]1)CCC2 ZINC000532270055 435154004 /nfs/dbraw/zinc/15/40/04/435154004.db2.gz RRUJRRKTEGYQJH-INIZCTEOSA-N 2 2 321.428 3.249 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000639115117 435160094 /nfs/dbraw/zinc/16/00/94/435160094.db2.gz SNMXZXVEUYJFKV-CQSZACIVSA-N 2 2 305.328 3.068 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000639115117 435160100 /nfs/dbraw/zinc/16/01/00/435160100.db2.gz SNMXZXVEUYJFKV-CQSZACIVSA-N 2 2 305.328 3.068 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000474801272 435161862 /nfs/dbraw/zinc/16/18/62/435161862.db2.gz LERLBMKUAZBWHE-RVKKMQEKSA-N 2 2 322.518 3.214 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCOCC1 ZINC000532451024 435165085 /nfs/dbraw/zinc/16/50/85/435165085.db2.gz YBLSUWBVHOTSAG-LJQANCHMSA-N 2 2 313.445 3.226 20 0 DGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CCOCC1 ZINC000532454471 435167717 /nfs/dbraw/zinc/16/77/17/435167717.db2.gz BOLZYYTXPVQSQB-INIZCTEOSA-N 2 2 301.434 3.140 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n(C)n1 ZINC000639146208 435171861 /nfs/dbraw/zinc/17/18/61/435171861.db2.gz BCTLXPVAIWPUSJ-PXNSSMCTSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n(C)n1 ZINC000639146208 435171866 /nfs/dbraw/zinc/17/18/66/435171866.db2.gz BCTLXPVAIWPUSJ-PXNSSMCTSA-N 2 2 324.472 3.186 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700262 435174413 /nfs/dbraw/zinc/17/44/13/435174413.db2.gz XNVGJLAFLPANGZ-NVXWUHKLSA-N 2 2 319.497 3.136 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700262 435174419 /nfs/dbraw/zinc/17/44/19/435174419.db2.gz XNVGJLAFLPANGZ-NVXWUHKLSA-N 2 2 319.497 3.136 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Br)cc(F)c1F ZINC000579722710 435179172 /nfs/dbraw/zinc/17/91/72/435179172.db2.gz OZKCEKZSIPCIBL-NSHDSACASA-N 2 2 321.209 3.190 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000561426003 435216909 /nfs/dbraw/zinc/21/69/09/435216909.db2.gz OYMZSUCRRHDQSJ-GOSISDBHSA-N 2 2 324.472 3.272 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000580301831 435220126 /nfs/dbraw/zinc/22/01/26/435220126.db2.gz QSFZYHLBLXGEQL-PMACEKPBSA-N 3 2 318.424 3.166 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)sn1 ZINC000639242764 435211368 /nfs/dbraw/zinc/21/13/68/435211368.db2.gz SEGRCVQGVGMIGK-UHFFFAOYSA-N 2 2 321.412 3.300 20 0 DGADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1C ZINC000580421317 435233593 /nfs/dbraw/zinc/23/35/93/435233593.db2.gz IHHJANMAFKPZLH-IEBWSBKVSA-N 2 2 312.461 3.103 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000583945292 435258802 /nfs/dbraw/zinc/25/88/02/435258802.db2.gz PQBUBKOXWKPCTO-SCTDSRPQSA-N 3 2 312.461 3.101 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000643030287 435260478 /nfs/dbraw/zinc/26/04/78/435260478.db2.gz KQYAEHIJNCLIQJ-CHWSQXEVSA-N 2 2 320.234 3.679 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c[nH+]1 ZINC000639339632 435252837 /nfs/dbraw/zinc/25/28/37/435252837.db2.gz IWPFTUPJTMSJCE-LJQANCHMSA-N 2 2 311.429 3.009 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](OCc3ccccn3)C2)c[nH+]1 ZINC000639339632 435252842 /nfs/dbraw/zinc/25/28/42/435252842.db2.gz IWPFTUPJTMSJCE-LJQANCHMSA-N 2 2 311.429 3.009 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067244 435264267 /nfs/dbraw/zinc/26/42/67/435264267.db2.gz YLASZWRELOFWNM-IEBWSBKVSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067244 435264272 /nfs/dbraw/zinc/26/42/72/435264272.db2.gz YLASZWRELOFWNM-IEBWSBKVSA-N 2 2 310.441 3.293 20 0 DGADLP CCc1nc(NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)cc(C)[nH+]1 ZINC000563425788 435268280 /nfs/dbraw/zinc/26/82/80/435268280.db2.gz RIMQSUDODNUWDV-UHFFFAOYSA-N 2 2 321.428 3.953 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000639378301 435274169 /nfs/dbraw/zinc/27/41/69/435274169.db2.gz OICHRYJRPQOBHA-UHFFFAOYSA-N 2 2 312.461 3.244 20 0 DGADLP CCOc1cc(C[NH+]2CCC(CC)([NH+](C)C)CC2)ccc1OC ZINC000639379460 435274651 /nfs/dbraw/zinc/27/46/51/435274651.db2.gz OONIRBKDRWBVQM-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000639379958 435276445 /nfs/dbraw/zinc/27/64/45/435276445.db2.gz UQWXJKSBHKHGTN-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000639379800 435276844 /nfs/dbraw/zinc/27/68/44/435276844.db2.gz RRAKRYUSIQEDNB-UHFFFAOYSA-N 2 2 316.449 3.284 20 0 DGADLP CC(C)O[C@H](C[N@H+](C)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396867 435286121 /nfs/dbraw/zinc/28/61/21/435286121.db2.gz KRTGYWCCMCEEKX-RBUKOAKNSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396867 435286127 /nfs/dbraw/zinc/28/61/27/435286127.db2.gz KRTGYWCCMCEEKX-RBUKOAKNSA-N 2 2 302.462 3.179 20 0 DGADLP C[N@H+](Cc1ccc(CC(F)(F)F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393227 435286379 /nfs/dbraw/zinc/28/63/79/435286379.db2.gz UQQMDXOJYVYDKJ-MRXNPFEDSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@@H+](Cc1ccc(CC(F)(F)F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393227 435286383 /nfs/dbraw/zinc/28/63/83/435286383.db2.gz UQQMDXOJYVYDKJ-MRXNPFEDSA-N 2 2 312.379 3.317 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCO[C@H](CC)C2)[NH+](C)C)cc1 ZINC000648401740 435286799 /nfs/dbraw/zinc/28/67/99/435286799.db2.gz NBQQSQAGKPUQPN-OTWHNJEPSA-N 2 2 304.478 3.399 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@H]1CCC[NH2+]1 ZINC000567260326 435302476 /nfs/dbraw/zinc/30/24/76/435302476.db2.gz ICVRURFXXXWCMJ-WMLDXEAASA-N 2 2 303.450 3.023 20 0 DGADLP C[NH+](C)Cc1cc(NC(=O)C[N@@H+]2CCC(C)(C)C2)ccc1Cl ZINC000567248896 435303260 /nfs/dbraw/zinc/30/32/60/435303260.db2.gz REQJZBCBOGREQM-UHFFFAOYSA-N 2 2 323.868 3.072 20 0 DGADLP C[NH+](C)Cc1cc(NC(=O)C[N@H+]2CCC(C)(C)C2)ccc1Cl ZINC000567248896 435303264 /nfs/dbraw/zinc/30/32/64/435303264.db2.gz REQJZBCBOGREQM-UHFFFAOYSA-N 2 2 323.868 3.072 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000648462539 435308014 /nfs/dbraw/zinc/30/80/14/435308014.db2.gz IWLIDDYCGSBTMO-KSZLIROESA-N 2 2 313.445 3.251 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000639359305 435263947 /nfs/dbraw/zinc/26/39/47/435263947.db2.gz KTMMEMGCXYPACC-KBXCAEBGSA-N 2 2 313.445 3.149 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000639359305 435263950 /nfs/dbraw/zinc/26/39/50/435263950.db2.gz KTMMEMGCXYPACC-KBXCAEBGSA-N 2 2 313.445 3.149 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000643373735 435320573 /nfs/dbraw/zinc/32/05/73/435320573.db2.gz ZYGBWTFCRVVOKB-IBGZPJMESA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)C[C@H](O)C1CC1 ZINC000643373735 435320578 /nfs/dbraw/zinc/32/05/78/435320578.db2.gz ZYGBWTFCRVVOKB-IBGZPJMESA-N 2 2 315.461 3.218 20 0 DGADLP c1c(CC[NH2+][C@H]2CCCc3ccccc3C2)[nH+]c2ccccn12 ZINC000648496082 435321306 /nfs/dbraw/zinc/32/13/06/435321306.db2.gz HPYDXCXLAPISRM-SFHVURJKSA-N 2 2 305.425 3.414 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000535316850 435327082 /nfs/dbraw/zinc/32/70/82/435327082.db2.gz ZXFBTHQXQGUTSY-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643457512 435330681 /nfs/dbraw/zinc/33/06/81/435330681.db2.gz HKYXVCPMKUNVJP-RLLQIKCJSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000643457512 435330687 /nfs/dbraw/zinc/33/06/87/435330687.db2.gz HKYXVCPMKUNVJP-RLLQIKCJSA-N 3 2 315.505 3.019 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)CCO2 ZINC000643482454 435335014 /nfs/dbraw/zinc/33/50/14/435335014.db2.gz OOERNMQZFOIKSS-ULQDDVLXSA-N 2 2 304.434 3.029 20 0 DGADLP COc1ncc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc21 ZINC000639538914 435335908 /nfs/dbraw/zinc/33/59/08/435335908.db2.gz XYERPYXILLLRGP-UHFFFAOYSA-N 2 2 322.412 3.346 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000639541829 435336714 /nfs/dbraw/zinc/33/67/14/435336714.db2.gz CBNIVYFLFCVZFS-BEFAXECRSA-N 2 2 311.429 3.039 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000639541829 435336719 /nfs/dbraw/zinc/33/67/19/435336719.db2.gz CBNIVYFLFCVZFS-BEFAXECRSA-N 2 2 311.429 3.039 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000643493564 435337670 /nfs/dbraw/zinc/33/76/70/435337670.db2.gz FOPPSEKSBAZKTE-QOKNQOGYSA-N 2 2 314.429 3.355 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000643501604 435339605 /nfs/dbraw/zinc/33/96/05/435339605.db2.gz LUURRZJNGHAQPO-XJKSGUPXSA-N 2 2 316.424 3.113 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643508885 435339901 /nfs/dbraw/zinc/33/99/01/435339901.db2.gz QRLHQXPUYSGAPU-HNAYVOBHSA-N 3 2 303.494 3.130 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC[NH2+]C2CC2)cnn1-c1cc(C)ccc1C ZINC000643507027 435339922 /nfs/dbraw/zinc/33/99/22/435339922.db2.gz QDUHPZHUCGYUOM-OAHLLOKOSA-N 2 2 312.461 3.200 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@@H+]1C1CC1 ZINC000643532802 435343651 /nfs/dbraw/zinc/34/36/51/435343651.db2.gz KUBIGMQJELKKBY-HACGYAERSA-N 2 2 315.461 3.086 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@H+]1C1CC1 ZINC000643532802 435343656 /nfs/dbraw/zinc/34/36/56/435343656.db2.gz KUBIGMQJELKKBY-HACGYAERSA-N 2 2 315.461 3.086 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000643526638 435344096 /nfs/dbraw/zinc/34/40/96/435344096.db2.gz CVHLFHHCFIOIPF-APWZRJJASA-N 3 2 321.484 3.316 20 0 DGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537568 435346398 /nfs/dbraw/zinc/34/63/98/435346398.db2.gz LUNRPDMBQAVHQD-DRZSPHRISA-N 2 2 300.805 3.089 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1nc2c(s1)CCCC2 ZINC000643547256 435349711 /nfs/dbraw/zinc/34/97/11/435349711.db2.gz BWFIHMFIXGSTBC-QWHCGFSZSA-N 2 2 305.491 3.347 20 0 DGADLP c1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccn2)cc1 ZINC000643547651 435350063 /nfs/dbraw/zinc/35/00/63/435350063.db2.gz ITUHRKLONGMOGX-IEBWSBKVSA-N 2 2 307.441 3.435 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)sc1Br ZINC000643538743 435350481 /nfs/dbraw/zinc/35/04/81/435350481.db2.gz UFJVZYAPRLOMMI-GUBZILKMSA-N 2 2 321.259 3.170 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639571118 435351512 /nfs/dbraw/zinc/35/15/12/435351512.db2.gz WBXLCFDUYDTZPE-MRXNPFEDSA-N 2 2 322.412 3.110 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000639571118 435351516 /nfs/dbraw/zinc/35/15/16/435351516.db2.gz WBXLCFDUYDTZPE-MRXNPFEDSA-N 2 2 322.412 3.110 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648586839 435352462 /nfs/dbraw/zinc/35/24/62/435352462.db2.gz MIESNHYESGYDHC-NSHDSACASA-N 2 2 316.792 3.204 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648586839 435352466 /nfs/dbraw/zinc/35/24/66/435352466.db2.gz MIESNHYESGYDHC-NSHDSACASA-N 2 2 316.792 3.204 20 0 DGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000648738552 435404544 /nfs/dbraw/zinc/40/45/44/435404544.db2.gz ZKMOHGKENNJCBD-AWEZNQCLSA-N 2 2 323.400 3.221 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC[N@@H+]1C ZINC000648756499 435409430 /nfs/dbraw/zinc/40/94/30/435409430.db2.gz AQLGQAFKXJSBQO-CXAGYDPISA-N 2 2 311.385 3.153 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC[N@H+]1C ZINC000648756499 435409436 /nfs/dbraw/zinc/40/94/36/435409436.db2.gz AQLGQAFKXJSBQO-CXAGYDPISA-N 2 2 311.385 3.153 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841069 435413289 /nfs/dbraw/zinc/41/32/89/435413289.db2.gz SQNKAVVYJLSPGR-PWIZWCRZSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841069 435413294 /nfs/dbraw/zinc/41/32/94/435413294.db2.gz SQNKAVVYJLSPGR-PWIZWCRZSA-N 2 2 316.489 3.180 20 0 DGADLP COc1cccc2c1C[N@H+](Cc1c[nH+]c3c(C)cccn13)CC2 ZINC000648769978 435414111 /nfs/dbraw/zinc/41/41/11/435414111.db2.gz IWZOXJZOIOMEPF-UHFFFAOYSA-N 2 2 307.397 3.210 20 0 DGADLP COc1cccc2c1C[N@@H+](Cc1c[nH+]c3c(C)cccn13)CC2 ZINC000648769978 435414116 /nfs/dbraw/zinc/41/41/16/435414116.db2.gz IWZOXJZOIOMEPF-UHFFFAOYSA-N 2 2 307.397 3.210 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)c1ccccc1F ZINC000639612579 435367394 /nfs/dbraw/zinc/36/73/94/435367394.db2.gz MEMAIAGJHALVGZ-UHFFFAOYSA-N 2 2 317.408 3.180 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)c1ccccc1F ZINC000639612579 435367400 /nfs/dbraw/zinc/36/74/00/435367400.db2.gz MEMAIAGJHALVGZ-UHFFFAOYSA-N 2 2 317.408 3.180 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)C3(C)CC3)CC2)c1 ZINC000480254729 435371743 /nfs/dbraw/zinc/37/17/43/435371743.db2.gz XXEMMHBIZHMIDP-SFHVURJKSA-N 2 2 315.505 3.285 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CC(C)(C)c3ccccc32)C[C@@H](C)O1 ZINC000480271456 435374129 /nfs/dbraw/zinc/37/41/29/435374129.db2.gz ZMXMFDFQEDXLNP-MDZRGWNJSA-N 2 2 316.489 3.498 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000513116538 435377996 /nfs/dbraw/zinc/37/79/96/435377996.db2.gz HEDIEXXQGLDUGE-HOJAQTOUSA-N 2 2 315.505 3.286 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000513116538 435377999 /nfs/dbraw/zinc/37/79/99/435377999.db2.gz HEDIEXXQGLDUGE-HOJAQTOUSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000513466963 435391938 /nfs/dbraw/zinc/39/19/38/435391938.db2.gz NMQGFWPMICWESC-MJGOQNOKSA-N 2 2 316.489 3.497 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000513466963 435391940 /nfs/dbraw/zinc/39/19/40/435391940.db2.gz NMQGFWPMICWESC-MJGOQNOKSA-N 2 2 316.489 3.497 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cscn1 ZINC000536626244 435396031 /nfs/dbraw/zinc/39/60/31/435396031.db2.gz PZVQMWCOBBXKCV-HNNXBMFYSA-N 2 2 323.506 3.076 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)CC3(C[NH3+])CCCCC3)ccc2n1C ZINC000568745705 435466046 /nfs/dbraw/zinc/46/60/46/435466046.db2.gz IRGRXMGEGHHEQN-UHFFFAOYSA-N 2 2 314.433 3.120 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)C1CCCCC1 ZINC000537982833 435478686 /nfs/dbraw/zinc/47/86/86/435478686.db2.gz NGXVXUCJBLFUHT-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)C1CCCCC1 ZINC000537982833 435478690 /nfs/dbraw/zinc/47/86/90/435478690.db2.gz NGXVXUCJBLFUHT-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1cccn2c(C[NH2+]C3CCC(OC(F)F)CC3)c[nH+]c12 ZINC000648817286 435429459 /nfs/dbraw/zinc/42/94/59/435429459.db2.gz MIISLVMMHGUJFV-UHFFFAOYSA-N 2 2 309.360 3.283 20 0 DGADLP CCC1([NH+](C)C)CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000640129405 435522168 /nfs/dbraw/zinc/52/21/68/435522168.db2.gz YYCJTVJJJUSOEQ-UHFFFAOYSA-N 2 2 304.438 3.037 20 0 DGADLP CCC1([NH+](C)C)CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000640141249 435523982 /nfs/dbraw/zinc/52/39/82/435523982.db2.gz ISHHLYZWQIACHA-UHFFFAOYSA-N 2 2 318.465 3.345 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000644863954 435531359 /nfs/dbraw/zinc/53/13/59/435531359.db2.gz MSAQQHLDZYMULC-MRXNPFEDSA-N 2 2 310.376 3.311 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000644863954 435531362 /nfs/dbraw/zinc/53/13/62/435531362.db2.gz MSAQQHLDZYMULC-MRXNPFEDSA-N 2 2 310.376 3.311 20 0 DGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988760 435482195 /nfs/dbraw/zinc/48/21/95/435482195.db2.gz YWQPRMLXNSYEPU-IRXDYDNUSA-N 2 2 323.525 3.020 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000538116005 435483468 /nfs/dbraw/zinc/48/34/68/435483468.db2.gz HBLUWAIQYMBLAD-ROUUACIJSA-N 2 2 304.503 3.473 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000515464110 435486879 /nfs/dbraw/zinc/48/68/79/435486879.db2.gz IYXGUDKLKQAPQR-DNVCBOLYSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000515464110 435486885 /nfs/dbraw/zinc/48/68/85/435486885.db2.gz IYXGUDKLKQAPQR-DNVCBOLYSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000515500153 435488551 /nfs/dbraw/zinc/48/85/51/435488551.db2.gz QFNWDCDEHCMEHR-HZPDHXFCSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000515500153 435488555 /nfs/dbraw/zinc/48/85/55/435488555.db2.gz QFNWDCDEHCMEHR-HZPDHXFCSA-N 2 2 312.461 3.346 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000483155547 435497749 /nfs/dbraw/zinc/49/77/49/435497749.db2.gz WRYYGUUHSQCNTB-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000483155547 435497755 /nfs/dbraw/zinc/49/77/55/435497755.db2.gz WRYYGUUHSQCNTB-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CCSC1 ZINC000484500770 435546639 /nfs/dbraw/zinc/54/66/39/435546639.db2.gz XYJZUTORKOKTMM-SJLPKXTDSA-N 2 2 304.503 3.436 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3)c2)C1 ZINC000484603027 435549275 /nfs/dbraw/zinc/54/92/75/435549275.db2.gz ITOPCBYLDUVFNY-FRQCXROJSA-N 2 2 301.478 3.278 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3)c2)C1 ZINC000484603027 435549281 /nfs/dbraw/zinc/54/92/81/435549281.db2.gz ITOPCBYLDUVFNY-FRQCXROJSA-N 2 2 301.478 3.278 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766592 435552518 /nfs/dbraw/zinc/55/25/18/435552518.db2.gz ZAWFEWHDSIFSLN-HKUYNNGSSA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3[C@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766592 435552521 /nfs/dbraw/zinc/55/25/21/435552521.db2.gz ZAWFEWHDSIFSLN-HKUYNNGSSA-N 2 2 311.429 3.263 20 0 DGADLP c1csc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)co2)c1 ZINC000649408907 435581297 /nfs/dbraw/zinc/58/12/97/435581297.db2.gz GKQIMCOJFJXPBE-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)co2)c1 ZINC000649408907 435581300 /nfs/dbraw/zinc/58/13/00/435581300.db2.gz GKQIMCOJFJXPBE-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(Cc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416560 435582653 /nfs/dbraw/zinc/58/26/53/435582653.db2.gz DSBFVOWBCNRSFM-DOTOQJQBSA-N 2 2 315.486 3.293 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416560 435582657 /nfs/dbraw/zinc/58/26/57/435582657.db2.gz DSBFVOWBCNRSFM-DOTOQJQBSA-N 2 2 315.486 3.293 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000484139458 435540083 /nfs/dbraw/zinc/54/00/83/435540083.db2.gz FKVZQXFOAOULCP-AZUAARDMSA-N 2 2 318.505 3.120 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000569544936 435540981 /nfs/dbraw/zinc/54/09/81/435540981.db2.gz CYLHWBXIGAZOCF-VBJONLRCSA-N 2 2 320.481 3.257 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000569544936 435540983 /nfs/dbraw/zinc/54/09/83/435540983.db2.gz CYLHWBXIGAZOCF-VBJONLRCSA-N 2 2 320.481 3.257 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000484474280 435545775 /nfs/dbraw/zinc/54/57/75/435545775.db2.gz PESMIPWJZCHELB-CGTJXYLNSA-N 2 2 304.478 3.192 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000484474280 435545779 /nfs/dbraw/zinc/54/57/79/435545779.db2.gz PESMIPWJZCHELB-CGTJXYLNSA-N 2 2 304.478 3.192 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649541843 435619289 /nfs/dbraw/zinc/61/92/89/435619289.db2.gz MFCXIHJUSHYDIC-MAUKXSAKSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649541843 435619292 /nfs/dbraw/zinc/61/92/92/435619292.db2.gz MFCXIHJUSHYDIC-MAUKXSAKSA-N 2 2 321.896 3.113 20 0 DGADLP Fc1cc(C[NH2+]C/C=C\c2ccncc2)ccc1-n1cc[nH+]c1 ZINC000486933680 435621444 /nfs/dbraw/zinc/62/14/44/435621444.db2.gz ACDUCXYYHJKGNJ-UPHRSURJSA-N 2 2 308.360 3.209 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(Cc2cc(OC(C)C)cc[nH+]2)C1 ZINC000649547475 435622131 /nfs/dbraw/zinc/62/21/31/435622131.db2.gz UENKGEDQIKDOQB-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC(C)C)cc[nH+]2)C1 ZINC000649547475 435622135 /nfs/dbraw/zinc/62/21/35/435622135.db2.gz UENKGEDQIKDOQB-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547475 435622136 /nfs/dbraw/zinc/62/21/36/435622136.db2.gz UENKGEDQIKDOQB-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547475 435622139 /nfs/dbraw/zinc/62/21/39/435622139.db2.gz UENKGEDQIKDOQB-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547475 435622143 /nfs/dbraw/zinc/62/21/43/435622143.db2.gz UENKGEDQIKDOQB-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547475 435622146 /nfs/dbraw/zinc/62/21/46/435622146.db2.gz UENKGEDQIKDOQB-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP C[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000570485034 435624145 /nfs/dbraw/zinc/62/41/45/435624145.db2.gz QJBVJRHTAYKXPR-DUVNUKRYSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000570485034 435624149 /nfs/dbraw/zinc/62/41/49/435624149.db2.gz QJBVJRHTAYKXPR-DUVNUKRYSA-N 2 2 312.379 3.493 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000518295944 435632072 /nfs/dbraw/zinc/63/20/72/435632072.db2.gz HTNLZNOYHWYYMD-GOSISDBHSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000518295944 435632077 /nfs/dbraw/zinc/63/20/77/435632077.db2.gz HTNLZNOYHWYYMD-GOSISDBHSA-N 2 2 304.397 3.257 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284885 435596096 /nfs/dbraw/zinc/59/60/96/435596096.db2.gz KSLGHQUOHJTDOH-RDJZCZTQSA-N 2 2 320.440 3.243 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284885 435596100 /nfs/dbraw/zinc/59/61/00/435596100.db2.gz KSLGHQUOHJTDOH-RDJZCZTQSA-N 2 2 320.440 3.243 20 0 DGADLP CCCN(CC[NH+]1CCCC1)Cc1cc(OC(C)C)cc[nH+]1 ZINC000649610249 435643423 /nfs/dbraw/zinc/64/34/23/435643423.db2.gz LRXQDJNGTYFDQV-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489168521 435645963 /nfs/dbraw/zinc/64/59/63/435645963.db2.gz MUCMKCZEFBBHEY-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489168521 435645968 /nfs/dbraw/zinc/64/59/68/435645968.db2.gz MUCMKCZEFBBHEY-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000518791015 435655421 /nfs/dbraw/zinc/65/54/21/435655421.db2.gz TZVXXMCHGOTWQP-CQSZACIVSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)[nH]1 ZINC000570667603 435639626 /nfs/dbraw/zinc/63/96/26/435639626.db2.gz ATCRPYFLOVFARD-GOEBONIOSA-N 2 2 319.497 3.061 20 0 DGADLP C[C@@H](c1cccc2ccccc21)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000571313322 435697653 /nfs/dbraw/zinc/69/76/53/435697653.db2.gz ODPCHLOLMVMBSQ-PNHOKKKMSA-N 2 2 320.440 3.061 20 0 DGADLP C[C@@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000571313322 435697657 /nfs/dbraw/zinc/69/76/57/435697657.db2.gz ODPCHLOLMVMBSQ-PNHOKKKMSA-N 2 2 320.440 3.061 20 0 DGADLP c1csc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655695399 435732067 /nfs/dbraw/zinc/73/20/67/435732067.db2.gz LKZBHIFACBJRJS-RDJZCZTQSA-N 2 2 306.475 3.042 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641379081 435734155 /nfs/dbraw/zinc/73/41/55/435734155.db2.gz OGSSUMUXSUJPNP-HNNXBMFYSA-N 2 2 311.429 3.211 20 0 DGADLP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655702002 435735165 /nfs/dbraw/zinc/73/51/65/435735165.db2.gz MVRUODMLGPQVEU-RDTXWAMCSA-N 2 2 320.864 3.170 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[NH+]1CCCCC1)CC3 ZINC000491380068 435738295 /nfs/dbraw/zinc/73/82/95/435738295.db2.gz LKLQLTIFYCOBGB-MRXNPFEDSA-N 2 2 311.473 3.409 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655709000 435739191 /nfs/dbraw/zinc/73/91/91/435739191.db2.gz VSAGHGAJOHNLCQ-UHFFFAOYSA-N 2 2 324.472 3.206 20 0 DGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655705061 435739913 /nfs/dbraw/zinc/73/99/13/435739913.db2.gz VBGXUNPDXGUOCA-UYAOXDASSA-N 2 2 314.473 3.297 20 0 DGADLP CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655707860 435740816 /nfs/dbraw/zinc/74/08/16/435740816.db2.gz GIQUKGBSSCZUIQ-UXHICEINSA-N 2 2 316.489 3.241 20 0 DGADLP c1cn(Cc2ccc(NCc3ccc4c(c3)CCCC4)[nH+]c2)c[nH+]1 ZINC000491398091 435743486 /nfs/dbraw/zinc/74/34/86/435743486.db2.gz FBNPHTHSTYUAEP-UHFFFAOYSA-N 2 2 318.424 3.239 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(C)c1F ZINC000655720024 435746297 /nfs/dbraw/zinc/74/62/97/435746297.db2.gz NRMNYGYYCPZDJF-QAPCUYQASA-N 2 2 320.452 3.346 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1 ZINC000655717370 435748880 /nfs/dbraw/zinc/74/88/80/435748880.db2.gz CPIGELBFHPIRFC-DLBZAZTESA-N 2 2 321.428 3.025 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655734446 435758442 /nfs/dbraw/zinc/75/84/42/435758442.db2.gz IMIBIRUNIQLICX-VQIMIIECSA-N 2 2 314.473 3.252 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938177 435760010 /nfs/dbraw/zinc/76/00/10/435760010.db2.gz BKELGDOBVSPOTI-UJXFUWLCSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938177 435760018 /nfs/dbraw/zinc/76/00/18/435760018.db2.gz BKELGDOBVSPOTI-UJXFUWLCSA-N 2 2 318.436 3.026 20 0 DGADLP Clc1cccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000655741604 435762016 /nfs/dbraw/zinc/76/20/16/435762016.db2.gz ABEBDICUGSPSMY-KRWDZBQOSA-N 2 2 320.864 3.172 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1CCC1 ZINC000519815646 435711655 /nfs/dbraw/zinc/71/16/55/435711655.db2.gz QNZMKJHYEGSYDU-ZDUSSCGKSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1CCC1 ZINC000519815646 435711662 /nfs/dbraw/zinc/71/16/62/435711662.db2.gz QNZMKJHYEGSYDU-ZDUSSCGKSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000548792900 435719710 /nfs/dbraw/zinc/71/97/10/435719710.db2.gz JYZZRWWKDWCLPC-NEWSRXKRSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548792900 435719712 /nfs/dbraw/zinc/71/97/12/435719712.db2.gz JYZZRWWKDWCLPC-NEWSRXKRSA-N 2 2 314.473 3.198 20 0 DGADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000651767747 435821340 /nfs/dbraw/zinc/82/13/40/435821340.db2.gz KGRVNPJSNANFIP-AAEUAGOBSA-N 2 2 305.784 3.268 20 0 DGADLP Cc1ccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655792893 435800944 /nfs/dbraw/zinc/80/09/44/435800944.db2.gz SKFOSOXOFKIWLA-IBGZPJMESA-N 2 2 314.473 3.217 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(-c2ccccc2)n1 ZINC000641736245 435804413 /nfs/dbraw/zinc/80/44/13/435804413.db2.gz CRKZSSOMNMLHLG-BEFAXECRSA-N 2 2 324.472 3.142 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(-c2ccccc2)n1 ZINC000641736245 435804421 /nfs/dbraw/zinc/80/44/21/435804421.db2.gz CRKZSSOMNMLHLG-BEFAXECRSA-N 2 2 324.472 3.142 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000550664895 435807478 /nfs/dbraw/zinc/80/74/78/435807478.db2.gz AXANGJAERFPVHT-CVEARBPZSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000550664895 435807484 /nfs/dbraw/zinc/80/74/84/435807484.db2.gz AXANGJAERFPVHT-CVEARBPZSA-N 2 2 301.459 3.377 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)n1cc[nH+]c1 ZINC000650074209 435808520 /nfs/dbraw/zinc/80/85/20/435808520.db2.gz KWKFSLWFJKBQCP-SUMWQHHRSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000572354997 435813728 /nfs/dbraw/zinc/81/37/28/435813728.db2.gz HKXVWKOTIKUWBU-QRWLVFNGSA-N 2 2 323.440 3.099 20 0 DGADLP COCC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000655816122 435819477 /nfs/dbraw/zinc/81/94/77/435819477.db2.gz OZIWAKQSIWAPBM-QGZVFWFLSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000655816122 435819485 /nfs/dbraw/zinc/81/94/85/435819485.db2.gz OZIWAKQSIWAPBM-QGZVFWFLSA-N 2 2 302.462 3.056 20 0 DGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655743268 435763905 /nfs/dbraw/zinc/76/39/05/435763905.db2.gz QEEDTMFJTHMVKB-INIZCTEOSA-N 2 2 318.436 3.048 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472393 435765850 /nfs/dbraw/zinc/76/58/50/435765850.db2.gz JXPBZTZCCOZKDT-GDBMZVCRSA-N 2 2 324.415 3.213 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474954 435766218 /nfs/dbraw/zinc/76/62/18/435766218.db2.gz SEVFQDBHRWQFGC-MSOLQXFVSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474954 435766225 /nfs/dbraw/zinc/76/62/25/435766225.db2.gz SEVFQDBHRWQFGC-MSOLQXFVSA-N 2 2 302.462 3.243 20 0 DGADLP c1ccc(CCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472885 435767506 /nfs/dbraw/zinc/76/75/06/435767506.db2.gz AUYYBIUKKZAGME-FQEVSTJZSA-N 2 2 316.489 3.196 20 0 DGADLP c1ccc(CCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472885 435767512 /nfs/dbraw/zinc/76/75/12/435767512.db2.gz AUYYBIUKKZAGME-FQEVSTJZSA-N 2 2 316.489 3.196 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491547362 435768402 /nfs/dbraw/zinc/76/84/02/435768402.db2.gz OUOWRDPPRMXUBE-JTQLQIEISA-N 2 2 305.249 3.289 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481595 435771428 /nfs/dbraw/zinc/77/14/28/435771428.db2.gz RXRSLUVARGBWOU-AEFFLSMTSA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481595 435771434 /nfs/dbraw/zinc/77/14/34/435771434.db2.gz RXRSLUVARGBWOU-AEFFLSMTSA-N 2 2 317.477 3.214 20 0 DGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCc1cc[nH+]cc1C ZINC000655752314 435772264 /nfs/dbraw/zinc/77/22/64/435772264.db2.gz XDKZTOUVDDZALE-UHFFFAOYSA-N 2 2 324.403 3.356 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCC1CC1)C[NH+](C)C ZINC000491599618 435777101 /nfs/dbraw/zinc/77/71/01/435777101.db2.gz SUNDJVBTAZDIFE-ZDUSSCGKSA-N 2 2 310.869 3.416 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000641808417 435828708 /nfs/dbraw/zinc/82/87/08/435828708.db2.gz UTTHYBQFLRXRGD-KGLIPLIRSA-N 2 2 305.809 3.210 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1[NH3+] ZINC000641804775 435829830 /nfs/dbraw/zinc/82/98/30/435829830.db2.gz LMYVXVLRTZRKEJ-UONOGXRCSA-N 2 2 305.809 3.210 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000655838539 435830054 /nfs/dbraw/zinc/83/00/54/435830054.db2.gz OJOFQDQJJGTYGI-MBOZVWFJSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000655838539 435830058 /nfs/dbraw/zinc/83/00/58/435830058.db2.gz OJOFQDQJJGTYGI-MBOZVWFJSA-N 2 2 309.457 3.438 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2ccccn2)n1-c1ccccc1 ZINC000655844448 435836064 /nfs/dbraw/zinc/83/60/64/435836064.db2.gz STYRIGGKLTYMMU-OAHLLOKOSA-N 2 2 306.413 3.297 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000655846744 435836264 /nfs/dbraw/zinc/83/62/64/435836264.db2.gz KWJLFABYIZAEOH-CZUORRHYSA-N 2 2 316.436 3.043 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000655846745 435836512 /nfs/dbraw/zinc/83/65/12/435836512.db2.gz KWJLFABYIZAEOH-XJKSGUPXSA-N 2 2 316.436 3.043 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(OC)cc1OC ZINC000651809354 435836926 /nfs/dbraw/zinc/83/69/26/435836926.db2.gz VAVQIIZJKFQREZ-UHFFFAOYSA-N 2 2 324.440 3.151 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(OC)cc1OC ZINC000651809354 435836933 /nfs/dbraw/zinc/83/69/33/435836933.db2.gz VAVQIIZJKFQREZ-UHFFFAOYSA-N 2 2 324.440 3.151 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1O ZINC000655848767 435837973 /nfs/dbraw/zinc/83/79/73/435837973.db2.gz KDMHLUKXRMLWOP-NUEKZKHPSA-N 2 2 304.434 3.068 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1O ZINC000655848767 435837979 /nfs/dbraw/zinc/83/79/79/435837979.db2.gz KDMHLUKXRMLWOP-NUEKZKHPSA-N 2 2 304.434 3.068 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000655848591 435838502 /nfs/dbraw/zinc/83/85/02/435838502.db2.gz IGYAEDSCKPGTPD-QYZOEREBSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000655848591 435838509 /nfs/dbraw/zinc/83/85/09/435838509.db2.gz IGYAEDSCKPGTPD-QYZOEREBSA-N 2 2 300.446 3.376 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572542763 435838511 /nfs/dbraw/zinc/83/85/11/435838511.db2.gz MDWLRCHQPCUYAL-IPMKNSEASA-N 2 2 306.494 3.166 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572542763 435838515 /nfs/dbraw/zinc/83/85/15/435838515.db2.gz MDWLRCHQPCUYAL-IPMKNSEASA-N 2 2 306.494 3.166 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848606 435839702 /nfs/dbraw/zinc/83/97/02/435839702.db2.gz IQOJRYABRASGEW-BHUNQDJPSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848606 435839711 /nfs/dbraw/zinc/83/97/11/435839711.db2.gz IQOJRYABRASGEW-BHUNQDJPSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848607 435839837 /nfs/dbraw/zinc/83/98/37/435839837.db2.gz IQOJRYABRASGEW-GQGLESIBSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848607 435839844 /nfs/dbraw/zinc/83/98/44/435839844.db2.gz IQOJRYABRASGEW-GQGLESIBSA-N 2 2 318.465 3.011 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000655848589 435839971 /nfs/dbraw/zinc/83/99/71/435839971.db2.gz IGYAEDSCKPGTPD-GUDVDZBRSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CCC2 ZINC000655848589 435839974 /nfs/dbraw/zinc/83/99/74/435839974.db2.gz IGYAEDSCKPGTPD-GUDVDZBRSA-N 2 2 300.446 3.376 20 0 DGADLP CC[NH+](CC)C[C@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000551872271 435855170 /nfs/dbraw/zinc/85/51/70/435855170.db2.gz XPUFKNMIVZYMMI-CQSZACIVSA-N 2 2 314.477 3.011 20 0 DGADLP CCC[NH+](CCC)CCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980051 435860906 /nfs/dbraw/zinc/86/09/06/435860906.db2.gz DANHZHIERBIZRL-UHFFFAOYSA-N 2 2 316.449 3.418 20 0 DGADLP CC[N@H+](CCC[NH2+]C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000651910085 435862628 /nfs/dbraw/zinc/86/26/28/435862628.db2.gz GPSUNPMXDOZSEE-UHFFFAOYSA-N 3 2 309.542 3.494 20 0 DGADLP CC[N@@H+](CCC[NH2+]C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000651910085 435862634 /nfs/dbraw/zinc/86/26/34/435862634.db2.gz GPSUNPMXDOZSEE-UHFFFAOYSA-N 3 2 309.542 3.494 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000552009570 435870594 /nfs/dbraw/zinc/87/05/94/435870594.db2.gz OJRQWRVVYWPEBH-BQGMYUGNSA-N 2 2 302.462 3.168 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000552009570 435870598 /nfs/dbraw/zinc/87/05/98/435870598.db2.gz OJRQWRVVYWPEBH-BQGMYUGNSA-N 2 2 302.462 3.168 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616550 435827475 /nfs/dbraw/zinc/82/74/75/435827475.db2.gz MYAMWLUDYQVVCR-INIZCTEOSA-N 2 2 312.429 3.085 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616550 435827482 /nfs/dbraw/zinc/82/74/82/435827482.db2.gz MYAMWLUDYQVVCR-INIZCTEOSA-N 2 2 312.429 3.085 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616550 435827486 /nfs/dbraw/zinc/82/74/86/435827486.db2.gz MYAMWLUDYQVVCR-INIZCTEOSA-N 2 2 312.429 3.085 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616550 435827493 /nfs/dbraw/zinc/82/74/93/435827493.db2.gz MYAMWLUDYQVVCR-INIZCTEOSA-N 2 2 312.429 3.085 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2(CCC2)CO1 ZINC000651974740 435881494 /nfs/dbraw/zinc/88/14/94/435881494.db2.gz NVAFECXMGDUJDR-CYBMUJFWSA-N 2 2 303.431 3.077 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2(CCC2)CO1 ZINC000651974740 435881499 /nfs/dbraw/zinc/88/14/99/435881499.db2.gz NVAFECXMGDUJDR-CYBMUJFWSA-N 2 2 303.431 3.077 20 0 DGADLP c1cc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000656279686 435935542 /nfs/dbraw/zinc/93/55/42/435935542.db2.gz YNSQWVRQFNKJOH-RBUKOAKNSA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000656279686 435935545 /nfs/dbraw/zinc/93/55/45/435935545.db2.gz YNSQWVRQFNKJOH-RBUKOAKNSA-N 2 2 314.473 3.161 20 0 DGADLP C[C@]1([NH2+]Cc2cnc3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000652038101 435893162 /nfs/dbraw/zinc/89/31/62/435893162.db2.gz JDJGZXKVVSEDCY-FQEVSTJZSA-N 2 2 320.440 3.089 20 0 DGADLP C[C@]1([NH2+]Cc2cnc3ccccn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000652038101 435893168 /nfs/dbraw/zinc/89/31/68/435893168.db2.gz JDJGZXKVVSEDCY-FQEVSTJZSA-N 2 2 320.440 3.089 20 0 DGADLP Cc1ncc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000660856216 435908571 /nfs/dbraw/zinc/90/85/71/435908571.db2.gz GDXAAYQIIZDOTN-UHFFFAOYSA-N 2 2 321.428 3.116 20 0 DGADLP C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1c[nH+]ccc1N ZINC000665238402 435924540 /nfs/dbraw/zinc/92/45/40/435924540.db2.gz XTEOQPSASGDJIF-YGRLFVJLSA-N 2 2 317.355 3.035 20 0 DGADLP COc1cccc(OC)c1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665238173 435925104 /nfs/dbraw/zinc/92/51/04/435925104.db2.gz SIOIKYUKPHBOSS-HUUCEWRRSA-N 2 2 306.450 3.104 20 0 DGADLP c1ccc(OCCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000656279645 435936872 /nfs/dbraw/zinc/93/68/72/435936872.db2.gz YIMMOYDDKPMXIE-OALUTQOASA-N 2 2 302.462 3.452 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(C)n1 ZINC000665251574 435930212 /nfs/dbraw/zinc/93/02/12/435930212.db2.gz SXQIOCKPQMCXHA-NSISKUIASA-N 2 2 309.457 3.495 20 0 DGADLP c1ccc(OCCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000656279645 435936877 /nfs/dbraw/zinc/93/68/77/435936877.db2.gz YIMMOYDDKPMXIE-OALUTQOASA-N 2 2 302.462 3.452 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656276856 435934320 /nfs/dbraw/zinc/93/43/20/435934320.db2.gz IYSMKIUSHALMGV-AYOQOUSVSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656276856 435934324 /nfs/dbraw/zinc/93/43/24/435934324.db2.gz IYSMKIUSHALMGV-AYOQOUSVSA-N 2 2 302.462 3.320 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc4c(n3)CCC4)c2)c[nH+]1 ZINC000656475901 435958040 /nfs/dbraw/zinc/95/80/40/435958040.db2.gz FXNYUTANFPKODB-UHFFFAOYSA-N 2 2 318.424 3.105 20 0 DGADLP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cnn1C ZINC000647197071 435969770 /nfs/dbraw/zinc/96/97/70/435969770.db2.gz ZJKYYNCBFDIMSL-IBGZPJMESA-N 2 2 324.472 3.015 20 0 DGADLP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cnn1C ZINC000647197071 435969773 /nfs/dbraw/zinc/96/97/73/435969773.db2.gz ZJKYYNCBFDIMSL-IBGZPJMESA-N 2 2 324.472 3.015 20 0 DGADLP FCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000647254871 435992076 /nfs/dbraw/zinc/99/20/76/435992076.db2.gz IDNAQLGPOFMIIW-UHFFFAOYSA-N 2 2 308.416 3.314 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000665283388 435939981 /nfs/dbraw/zinc/93/99/81/435939981.db2.gz MYYNJHKUVGLDQQ-OLZOCXBDSA-N 2 2 302.340 3.047 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000652355641 435955914 /nfs/dbraw/zinc/95/59/14/435955914.db2.gz BTWYSHGCEHJIRC-GXSJLCMTSA-N 2 2 321.412 3.420 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000652355641 435955920 /nfs/dbraw/zinc/95/59/20/435955920.db2.gz BTWYSHGCEHJIRC-GXSJLCMTSA-N 2 2 321.412 3.420 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650716157 436003642 /nfs/dbraw/zinc/00/36/42/436003642.db2.gz TZOXUFCGNMSTSE-BSIFCXSSSA-N 2 2 321.468 3.133 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650716157 436003645 /nfs/dbraw/zinc/00/36/45/436003645.db2.gz TZOXUFCGNMSTSE-BSIFCXSSSA-N 2 2 321.468 3.133 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(F)F ZINC000647318696 436013555 /nfs/dbraw/zinc/01/35/55/436013555.db2.gz XQIVXVBZIZYUGN-LZWOXQAQSA-N 2 2 311.420 3.173 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(F)F ZINC000647318696 436013559 /nfs/dbraw/zinc/01/35/59/436013559.db2.gz XQIVXVBZIZYUGN-LZWOXQAQSA-N 2 2 311.420 3.173 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349787 436027842 /nfs/dbraw/zinc/02/78/42/436027842.db2.gz HQCKDJODCAXKLX-RMFNQSEZSA-N 2 2 319.468 3.410 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349787 436027844 /nfs/dbraw/zinc/02/78/44/436027844.db2.gz HQCKDJODCAXKLX-RMFNQSEZSA-N 2 2 319.468 3.410 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2)c[nH+]1 ZINC000656785991 436045908 /nfs/dbraw/zinc/04/59/08/436045908.db2.gz OYOORMNZDYCVFI-LJQANCHMSA-N 3 2 324.472 3.084 20 0 DGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000656789898 436046936 /nfs/dbraw/zinc/04/69/36/436046936.db2.gz CHXGFALHULWMPP-YJBOKZPZSA-N 2 2 320.358 3.339 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccsc2)cc1 ZINC000656790240 436047569 /nfs/dbraw/zinc/04/75/69/436047569.db2.gz LNLKLOWNLKIMDW-ROUUACIJSA-N 2 2 316.470 3.382 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CCCC1 ZINC000656788306 436048098 /nfs/dbraw/zinc/04/80/98/436048098.db2.gz IWMVDGPEOCOSQT-UHFFFAOYSA-N 2 2 304.768 3.303 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480748 436059058 /nfs/dbraw/zinc/05/90/58/436059058.db2.gz YMOQJMBLDMADCM-HIFRSBDPSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480748 436059063 /nfs/dbraw/zinc/05/90/63/436059063.db2.gz YMOQJMBLDMADCM-HIFRSBDPSA-N 2 2 307.507 3.405 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480285 436059412 /nfs/dbraw/zinc/05/94/12/436059412.db2.gz IOFMIAZZDGRTNS-WMLDXEAASA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480285 436059419 /nfs/dbraw/zinc/05/94/19/436059419.db2.gz IOFMIAZZDGRTNS-WMLDXEAASA-N 2 2 308.853 3.313 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480455 436060075 /nfs/dbraw/zinc/06/00/75/436060075.db2.gz OEOSXJMOHXEOIS-ZBFHGGJFSA-N 2 2 307.507 3.306 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480455 436060079 /nfs/dbraw/zinc/06/00/79/436060079.db2.gz OEOSXJMOHXEOIS-ZBFHGGJFSA-N 2 2 307.507 3.306 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480654 436060832 /nfs/dbraw/zinc/06/08/32/436060832.db2.gz WXRKXIHBMJACGY-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480654 436060837 /nfs/dbraw/zinc/06/08/37/436060837.db2.gz WXRKXIHBMJACGY-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480654 436060841 /nfs/dbraw/zinc/06/08/41/436060841.db2.gz WXRKXIHBMJACGY-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480654 436060846 /nfs/dbraw/zinc/06/08/46/436060846.db2.gz WXRKXIHBMJACGY-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480655 436061277 /nfs/dbraw/zinc/06/12/77/436061277.db2.gz WXRKXIHBMJACGY-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480655 436061282 /nfs/dbraw/zinc/06/12/82/436061282.db2.gz WXRKXIHBMJACGY-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480655 436061287 /nfs/dbraw/zinc/06/12/87/436061287.db2.gz WXRKXIHBMJACGY-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480655 436061294 /nfs/dbraw/zinc/06/12/94/436061294.db2.gz WXRKXIHBMJACGY-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480661 436061680 /nfs/dbraw/zinc/06/16/80/436061680.db2.gz WZXDEBPGQUGLRV-ZBFHGGJFSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480661 436061686 /nfs/dbraw/zinc/06/16/86/436061686.db2.gz WZXDEBPGQUGLRV-ZBFHGGJFSA-N 2 2 305.491 3.375 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647498539 436065299 /nfs/dbraw/zinc/06/52/99/436065299.db2.gz JUQJGTLAMHDOMZ-LSDHHAIUSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647498539 436065306 /nfs/dbraw/zinc/06/53/06/436065306.db2.gz JUQJGTLAMHDOMZ-LSDHHAIUSA-N 2 2 300.450 3.006 20 0 DGADLP CC[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498950 436065337 /nfs/dbraw/zinc/06/53/37/436065337.db2.gz UPYASDIFSFTEKC-RBUKOAKNSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498950 436065342 /nfs/dbraw/zinc/06/53/42/436065342.db2.gz UPYASDIFSFTEKC-RBUKOAKNSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498950 436065346 /nfs/dbraw/zinc/06/53/46/436065346.db2.gz UPYASDIFSFTEKC-RBUKOAKNSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647498950 436065351 /nfs/dbraw/zinc/06/53/51/436065351.db2.gz UPYASDIFSFTEKC-RBUKOAKNSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508560 436069194 /nfs/dbraw/zinc/06/91/94/436069194.db2.gz RLXAFPMKWQYLNS-MLGOLLRUSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508560 436069200 /nfs/dbraw/zinc/06/92/00/436069200.db2.gz RLXAFPMKWQYLNS-MLGOLLRUSA-N 2 2 320.433 3.102 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc(C)c1OC(F)F ZINC000647533732 436075854 /nfs/dbraw/zinc/07/58/54/436075854.db2.gz XPYREFYRPRPETC-HUUCEWRRSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc(C)c1OC(F)F ZINC000647533732 436075860 /nfs/dbraw/zinc/07/58/60/436075860.db2.gz XPYREFYRPRPETC-HUUCEWRRSA-N 2 2 310.388 3.089 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543975 436079035 /nfs/dbraw/zinc/07/90/35/436079035.db2.gz VCJCIFYIZUMHJS-RBUKOAKNSA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543975 436079038 /nfs/dbraw/zinc/07/90/38/436079038.db2.gz VCJCIFYIZUMHJS-RBUKOAKNSA-N 3 2 324.472 3.084 20 0 DGADLP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)c2O1 ZINC000647554075 436082614 /nfs/dbraw/zinc/08/26/14/436082614.db2.gz QIXFWNYGBOHLHK-MRXNPFEDSA-N 2 2 300.446 3.164 20 0 DGADLP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)c2O1 ZINC000647554074 436082668 /nfs/dbraw/zinc/08/26/68/436082668.db2.gz QIXFWNYGBOHLHK-INIZCTEOSA-N 2 2 300.446 3.164 20 0 DGADLP Brc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553532 436083346 /nfs/dbraw/zinc/08/33/46/436083346.db2.gz CJEKEEYMNOTNCF-CQSZACIVSA-N 2 2 309.251 3.213 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657305674 436126781 /nfs/dbraw/zinc/12/67/81/436126781.db2.gz QRFQRHJIFBPYLJ-UHFFFAOYSA-N 2 2 304.356 3.247 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657305674 436126785 /nfs/dbraw/zinc/12/67/85/436126785.db2.gz QRFQRHJIFBPYLJ-UHFFFAOYSA-N 2 2 304.356 3.247 20 0 DGADLP c1c2ccncc2sc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657310649 436129717 /nfs/dbraw/zinc/12/97/17/436129717.db2.gz PLQKWJKWZGERAR-UHFFFAOYSA-N 2 2 324.453 3.450 20 0 DGADLP C[N@H+](CCC[NH3+])[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000647847360 436133973 /nfs/dbraw/zinc/13/39/73/436133973.db2.gz LNHXGVMEXZVPAK-LJQANCHMSA-N 2 2 321.424 3.373 20 0 DGADLP C[N@@H+](CCC[NH3+])[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000647847360 436133980 /nfs/dbraw/zinc/13/39/80/436133980.db2.gz LNHXGVMEXZVPAK-LJQANCHMSA-N 2 2 321.424 3.373 20 0 DGADLP Fc1ccc(Br)c(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657317351 436134688 /nfs/dbraw/zinc/13/46/88/436134688.db2.gz WPXJPHDKOWJQMY-UHFFFAOYSA-N 2 2 324.197 3.021 20 0 DGADLP Clc1ccc2sc(C[NH2+]Cc3c[nH+]c4n3CCC4)nc2c1 ZINC000657330593 436139575 /nfs/dbraw/zinc/13/95/75/436139575.db2.gz VBRAHRDQCDPUTL-UHFFFAOYSA-N 2 2 318.833 3.382 20 0 DGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903487 436144769 /nfs/dbraw/zinc/14/47/69/436144769.db2.gz KHCWAPZBPGZHNC-DYVFJYSZSA-N 2 2 310.844 3.486 20 0 DGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903487 436144771 /nfs/dbraw/zinc/14/47/71/436144771.db2.gz KHCWAPZBPGZHNC-DYVFJYSZSA-N 2 2 310.844 3.486 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@@H+]1C ZINC000647910994 436146645 /nfs/dbraw/zinc/14/66/45/436146645.db2.gz NLILNGJOOYQSHA-SWLSCSKDSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@H+]1C ZINC000647910994 436146647 /nfs/dbraw/zinc/14/66/47/436146647.db2.gz NLILNGJOOYQSHA-SWLSCSKDSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910994 436146652 /nfs/dbraw/zinc/14/66/52/436146652.db2.gz NLILNGJOOYQSHA-SWLSCSKDSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910994 436146655 /nfs/dbraw/zinc/14/66/55/436146655.db2.gz NLILNGJOOYQSHA-SWLSCSKDSA-N 2 2 319.399 3.428 20 0 DGADLP COCc1csc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000657345459 436147534 /nfs/dbraw/zinc/14/75/34/436147534.db2.gz PZZHJDMXQGEFAR-UHFFFAOYSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1nccn1C(C)C ZINC000657289462 436117167 /nfs/dbraw/zinc/11/71/67/436117167.db2.gz QWHOKRZQWHJVJL-UHFFFAOYSA-N 2 2 311.433 3.302 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657293723 436119002 /nfs/dbraw/zinc/11/90/02/436119002.db2.gz UOJUXZVXMZUSAF-LBPRGKRZSA-N 2 2 300.368 3.458 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657293723 436119006 /nfs/dbraw/zinc/11/90/06/436119006.db2.gz UOJUXZVXMZUSAF-LBPRGKRZSA-N 2 2 300.368 3.458 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657295497 436119424 /nfs/dbraw/zinc/11/94/24/436119424.db2.gz QQEQECQTPFHMFA-UHFFFAOYSA-N 2 2 311.307 3.018 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657292027 436120454 /nfs/dbraw/zinc/12/04/54/436120454.db2.gz CANHABDCLSERRL-UHFFFAOYSA-N 2 2 302.340 3.001 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000657296906 436120979 /nfs/dbraw/zinc/12/09/79/436120979.db2.gz XRPJACQCXHLGFB-UHFFFAOYSA-N 2 2 302.340 3.003 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000657298194 436122968 /nfs/dbraw/zinc/12/29/68/436122968.db2.gz UQJLMLXWGYBOHA-UHFFFAOYSA-N 3 2 324.472 3.105 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657364904 436160686 /nfs/dbraw/zinc/16/06/86/436160686.db2.gz CCRGOCOURWHLID-INIZCTEOSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2c[nH+]c3n2CCC3)CC1 ZINC000657364904 436160692 /nfs/dbraw/zinc/16/06/92/436160692.db2.gz CCRGOCOURWHLID-INIZCTEOSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647965556 436162928 /nfs/dbraw/zinc/16/29/28/436162928.db2.gz AEQPCHVJGYZXII-XIRDDKMYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647965556 436162935 /nfs/dbraw/zinc/16/29/35/436162935.db2.gz AEQPCHVJGYZXII-XIRDDKMYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647965556 436162941 /nfs/dbraw/zinc/16/29/41/436162941.db2.gz AEQPCHVJGYZXII-XIRDDKMYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647965556 436162945 /nfs/dbraw/zinc/16/29/45/436162945.db2.gz AEQPCHVJGYZXII-XIRDDKMYSA-N 2 2 308.466 3.062 20 0 DGADLP Cc1c[nH]c(CNCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)[nH+]1 ZINC000657369822 436163163 /nfs/dbraw/zinc/16/31/63/436163163.db2.gz GPDRBJXAZVVYGI-INIZCTEOSA-N 2 2 312.461 3.471 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647990425 436168325 /nfs/dbraw/zinc/16/83/25/436168325.db2.gz ZQAKCMLYQBMVML-SNVBAGLBSA-N 2 2 317.658 3.144 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647990425 436168329 /nfs/dbraw/zinc/16/83/29/436168329.db2.gz ZQAKCMLYQBMVML-SNVBAGLBSA-N 2 2 317.658 3.144 20 0 DGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccccc1Cl ZINC000657386102 436173555 /nfs/dbraw/zinc/17/35/55/436173555.db2.gz BGKOZYRKCVKLSE-AWEZNQCLSA-N 2 2 319.836 3.430 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657390993 436176589 /nfs/dbraw/zinc/17/65/89/436176589.db2.gz GOIHWSXHKUMAPA-VXGBXAGGSA-N 2 2 301.356 3.288 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657390990 436176773 /nfs/dbraw/zinc/17/67/73/436176773.db2.gz GOIHWSXHKUMAPA-NWDGAFQWSA-N 2 2 301.356 3.288 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000648010618 436178828 /nfs/dbraw/zinc/17/88/28/436178828.db2.gz LFVBQVIALRGFHF-FUHWJXTLSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000648010618 436178833 /nfs/dbraw/zinc/17/88/33/436178833.db2.gz LFVBQVIALRGFHF-FUHWJXTLSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000648010618 436178839 /nfs/dbraw/zinc/17/88/39/436178839.db2.gz LFVBQVIALRGFHF-FUHWJXTLSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000648010618 436178843 /nfs/dbraw/zinc/17/88/43/436178843.db2.gz LFVBQVIALRGFHF-FUHWJXTLSA-N 2 2 312.461 3.095 20 0 DGADLP CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc[nH+]c1 ZINC000661739457 436174480 /nfs/dbraw/zinc/17/44/80/436174480.db2.gz JZVHUJCKSIWVKG-MRXNPFEDSA-N 2 2 319.836 3.389 20 0 DGADLP CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc[nH+]c1 ZINC000661739457 436174484 /nfs/dbraw/zinc/17/44/84/436174484.db2.gz JZVHUJCKSIWVKG-MRXNPFEDSA-N 2 2 319.836 3.389 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657393068 436176315 /nfs/dbraw/zinc/17/63/15/436176315.db2.gz KXGPXUPSYHSPBV-UHFFFAOYSA-N 2 2 307.344 3.029 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000657525842 436234804 /nfs/dbraw/zinc/23/48/04/436234804.db2.gz XNDYQPRJHYIVCG-AWEZNQCLSA-N 2 2 312.404 3.293 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000657525842 436234806 /nfs/dbraw/zinc/23/48/06/436234806.db2.gz XNDYQPRJHYIVCG-AWEZNQCLSA-N 2 2 312.404 3.293 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523878 436235288 /nfs/dbraw/zinc/23/52/88/436235288.db2.gz LQBOQTYFXOLWJY-GOSISDBHSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523878 436235290 /nfs/dbraw/zinc/23/52/90/436235290.db2.gz LQBOQTYFXOLWJY-GOSISDBHSA-N 2 2 312.461 3.143 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)CCC2 ZINC000657415166 436189138 /nfs/dbraw/zinc/18/91/38/436189138.db2.gz APYQVTARUMTXMP-CRAIPNDOSA-N 2 2 311.429 3.087 20 0 DGADLP Cc1cc(N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)nc(C)[nH+]1 ZINC000651433325 436194708 /nfs/dbraw/zinc/19/47/08/436194708.db2.gz YGDPYJLVSRIGLF-INIZCTEOSA-N 2 2 307.401 3.223 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000657439709 436203461 /nfs/dbraw/zinc/20/34/61/436203461.db2.gz DFMPWSABDSLTIF-MRXNPFEDSA-N 2 2 324.453 3.420 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000657461547 436212092 /nfs/dbraw/zinc/21/20/92/436212092.db2.gz HYVWNORCEVYKNV-QGZVFWFLSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000657461547 436212097 /nfs/dbraw/zinc/21/20/97/436212097.db2.gz HYVWNORCEVYKNV-QGZVFWFLSA-N 2 2 312.461 3.108 20 0 DGADLP CC(C)(C)c1ccncc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657491218 436225765 /nfs/dbraw/zinc/22/57/65/436225765.db2.gz SWYYQTNPLUOEAR-UHFFFAOYSA-N 2 2 321.428 3.250 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2cc(F)ccc2O1 ZINC000657501757 436230670 /nfs/dbraw/zinc/23/06/70/436230670.db2.gz YBIZKUJGRPJYHS-HNNXBMFYSA-N 2 2 315.392 3.360 20 0 DGADLP Clc1cc(Cl)cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000653643921 436232755 /nfs/dbraw/zinc/23/27/55/436232755.db2.gz BFKPVGYBPWKPIZ-UHFFFAOYSA-N 2 2 311.216 3.039 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C[N@@H+]1C1CC1 ZINC000657709095 436286306 /nfs/dbraw/zinc/28/63/06/436286306.db2.gz OZBMJZKMJKAKKO-OHFALNGGSA-N 2 2 306.494 3.328 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C[N@H+]1C1CC1 ZINC000657709095 436286309 /nfs/dbraw/zinc/28/63/09/436286309.db2.gz OZBMJZKMJKAKKO-OHFALNGGSA-N 2 2 306.494 3.328 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154813 436288491 /nfs/dbraw/zinc/28/84/91/436288491.db2.gz CMEJFMSFLQDXMR-LJQANCHMSA-N 2 2 316.489 3.015 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154813 436288492 /nfs/dbraw/zinc/28/84/92/436288492.db2.gz CMEJFMSFLQDXMR-LJQANCHMSA-N 2 2 316.489 3.015 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000657562409 436245439 /nfs/dbraw/zinc/24/54/39/436245439.db2.gz HYIKCNYICLRKOL-QGZVFWFLSA-N 2 2 301.478 3.118 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000657562409 436245444 /nfs/dbraw/zinc/24/54/44/436245444.db2.gz HYIKCNYICLRKOL-QGZVFWFLSA-N 2 2 301.478 3.118 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1(CO)CC1 ZINC000657608658 436260311 /nfs/dbraw/zinc/26/03/11/436260311.db2.gz XPHOVPACZYTCBD-CQSZACIVSA-N 2 2 322.880 3.055 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@@H+]1Cc1ccccc1 ZINC000657665548 436273162 /nfs/dbraw/zinc/27/31/62/436273162.db2.gz LPMQFETZJOMJBR-OGWHTMIXSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@H+]1Cc1ccccc1 ZINC000657665548 436273164 /nfs/dbraw/zinc/27/31/64/436273164.db2.gz LPMQFETZJOMJBR-OGWHTMIXSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccc2[nH+]cc(CN[C@@H]3CC[N@@H+](C4CCCCC4)C3)n2c1 ZINC000657677540 436276058 /nfs/dbraw/zinc/27/60/58/436276058.db2.gz FJDBMBXXCSCWNQ-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc2[nH+]cc(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)n2c1 ZINC000657677540 436276062 /nfs/dbraw/zinc/27/60/62/436276062.db2.gz FJDBMBXXCSCWNQ-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1Cl ZINC000666770259 436279897 /nfs/dbraw/zinc/27/98/97/436279897.db2.gz QJDUMVQEUDDZJL-UKRRQHHQSA-N 2 2 323.868 3.097 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000666770260 436279957 /nfs/dbraw/zinc/27/99/57/436279957.db2.gz QJDUMVQEUDDZJL-ZFWWWQNUSA-N 2 2 323.868 3.097 20 0 DGADLP Fc1cccc(COc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000666782344 436280577 /nfs/dbraw/zinc/28/05/77/436280577.db2.gz TYTOUPUGKTZDKA-SFHVURJKSA-N 2 2 314.404 3.246 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657931226 436342463 /nfs/dbraw/zinc/34/24/63/436342463.db2.gz KVHDDFFGIAFSKM-WBVHZDCISA-N 2 2 319.518 3.482 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2COC3(CCC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000657980917 436350910 /nfs/dbraw/zinc/35/09/10/436350910.db2.gz QEDLMSNHXIVNQY-RBUKOAKNSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2COC3(CCC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000657980917 436350912 /nfs/dbraw/zinc/35/09/12/436350912.db2.gz QEDLMSNHXIVNQY-RBUKOAKNSA-N 2 2 314.473 3.342 20 0 DGADLP CO[C@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C1CCCC1 ZINC000657765890 436299440 /nfs/dbraw/zinc/29/94/40/436299440.db2.gz FWHAPANQKWOCSX-LJQANCHMSA-N 2 2 313.445 3.476 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657793007 436307935 /nfs/dbraw/zinc/30/79/35/436307935.db2.gz GYGZFESGWILNIO-WMZOPIPTSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657793007 436307939 /nfs/dbraw/zinc/30/79/39/436307939.db2.gz GYGZFESGWILNIO-WMZOPIPTSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@@H]1C[N@H+](Cc2oc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000662242831 436310446 /nfs/dbraw/zinc/31/04/46/436310446.db2.gz CZZLJGMFWUSAOB-ZYHUDNBSSA-N 2 2 323.234 3.364 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2oc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000662242831 436310452 /nfs/dbraw/zinc/31/04/52/436310452.db2.gz CZZLJGMFWUSAOB-ZYHUDNBSSA-N 2 2 323.234 3.364 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666943491 436312551 /nfs/dbraw/zinc/31/25/51/436312551.db2.gz NXTDVGFUDWDURQ-STQMWFEESA-N 2 2 324.346 3.231 20 0 DGADLP c1ccc2c(CC[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)nsc2c1 ZINC000662275213 436320754 /nfs/dbraw/zinc/32/07/54/436320754.db2.gz VXKFQVXBHWDFDP-SJORKVTESA-N 2 2 315.486 3.445 20 0 DGADLP c1ccc2c(CC[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)nsc2c1 ZINC000662275213 436320760 /nfs/dbraw/zinc/32/07/60/436320760.db2.gz VXKFQVXBHWDFDP-SJORKVTESA-N 2 2 315.486 3.445 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000662273914 436321372 /nfs/dbraw/zinc/32/13/72/436321372.db2.gz BGMKEJWMKXHPNO-ZWKOTPCHSA-N 2 2 320.502 3.394 20 0 DGADLP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000662273914 436321375 /nfs/dbraw/zinc/32/13/75/436321375.db2.gz BGMKEJWMKXHPNO-ZWKOTPCHSA-N 2 2 320.502 3.394 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2cnccc2o1 ZINC000657832749 436321909 /nfs/dbraw/zinc/32/19/09/436321909.db2.gz AMNLDOIEWROLKI-CYBMUJFWSA-N 2 2 310.401 3.254 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCc1nsc2ccccc21 ZINC000662284311 436324275 /nfs/dbraw/zinc/32/42/75/436324275.db2.gz MMXIJGMGUUUGOE-UHFFFAOYSA-N 2 2 301.459 3.042 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCc1nsc2ccccc21 ZINC000662284311 436324279 /nfs/dbraw/zinc/32/42/79/436324279.db2.gz MMXIJGMGUUUGOE-UHFFFAOYSA-N 2 2 301.459 3.042 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCCn3nccc32)[NH+]2CCCC2)cc1 ZINC000657860480 436328342 /nfs/dbraw/zinc/32/83/42/436328342.db2.gz ICHNSALHSVQKHM-ICSRJNTNSA-N 2 2 324.472 3.453 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3cnccc3c2)C[C@H]1c1cccc(F)c1 ZINC000667052317 436332497 /nfs/dbraw/zinc/33/24/97/436332497.db2.gz QXFSSHUITRLSPC-VQTJNVASSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1c1cccc(F)c1 ZINC000667052317 436332500 /nfs/dbraw/zinc/33/25/00/436332500.db2.gz QXFSSHUITRLSPC-VQTJNVASSA-N 2 2 321.399 3.301 20 0 DGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCCSCC2)cc1 ZINC000658007717 436353679 /nfs/dbraw/zinc/35/36/79/436353679.db2.gz WHVCRFAGTURPEO-RDJZCZTQSA-N 2 2 308.491 3.173 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccccc1 ZINC000657895440 436334578 /nfs/dbraw/zinc/33/45/78/436334578.db2.gz JEDIANZLXZXZJA-IRXDYDNUSA-N 2 2 321.428 3.025 20 0 DGADLP Cn1c(CCC[NH2+]C2CC(CF)(CF)C2)[nH+]c2ccccc21 ZINC000657918194 436341532 /nfs/dbraw/zinc/34/15/32/436341532.db2.gz BBWLXVBMMLJTLQ-UHFFFAOYSA-N 2 2 307.388 3.183 20 0 DGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658064303 436362880 /nfs/dbraw/zinc/36/28/80/436362880.db2.gz ZFUUBODYBRYBLJ-XJKSGUPXSA-N 2 2 306.425 3.284 20 0 DGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658064303 436362882 /nfs/dbraw/zinc/36/28/82/436362882.db2.gz ZFUUBODYBRYBLJ-XJKSGUPXSA-N 2 2 306.425 3.284 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062262 436362971 /nfs/dbraw/zinc/36/29/71/436362971.db2.gz DYZLCPZDPHTLCS-IEBWSBKVSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062262 436362975 /nfs/dbraw/zinc/36/29/75/436362975.db2.gz DYZLCPZDPHTLCS-IEBWSBKVSA-N 2 2 309.457 3.439 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090044 436371411 /nfs/dbraw/zinc/37/14/11/436371411.db2.gz CZBWNMUUEFIUQY-JKSUJKDBSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090044 436371414 /nfs/dbraw/zinc/37/14/14/436371414.db2.gz CZBWNMUUEFIUQY-JKSUJKDBSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090211 436371621 /nfs/dbraw/zinc/37/16/21/436371621.db2.gz FMANPDWYNCIKCM-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090211 436371623 /nfs/dbraw/zinc/37/16/23/436371623.db2.gz FMANPDWYNCIKCM-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090042 436372411 /nfs/dbraw/zinc/37/24/11/436372411.db2.gz CZBWNMUUEFIUQY-HZPDHXFCSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090042 436372413 /nfs/dbraw/zinc/37/24/13/436372413.db2.gz CZBWNMUUEFIUQY-HZPDHXFCSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093318 436373260 /nfs/dbraw/zinc/37/32/60/436373260.db2.gz UHLYWANXTUPPNM-GJZGRUSLSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093318 436373264 /nfs/dbraw/zinc/37/32/64/436373264.db2.gz UHLYWANXTUPPNM-GJZGRUSLSA-N 2 2 314.477 3.346 20 0 DGADLP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000662698005 436378222 /nfs/dbraw/zinc/37/82/22/436378222.db2.gz GNJQTISVUBIMRO-MRXNPFEDSA-N 2 2 311.385 3.201 20 0 DGADLP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000662706814 436380135 /nfs/dbraw/zinc/38/01/35/436380135.db2.gz FYQJYJZRPHICFC-XYPYZODXSA-N 2 2 317.776 3.203 20 0 DGADLP C[C@@]1(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1(F)F ZINC000658218760 436401936 /nfs/dbraw/zinc/40/19/36/436401936.db2.gz GESQVWPEBXIHNE-MRXNPFEDSA-N 2 2 309.404 3.071 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)[C@H](C)C2 ZINC000658244216 436409547 /nfs/dbraw/zinc/40/95/47/436409547.db2.gz KKGFQEJHNAXFBS-BPAFIMBUSA-N 2 2 314.473 3.071 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054677 436359523 /nfs/dbraw/zinc/35/95/23/436359523.db2.gz FZDXSKXRFAAVJF-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054677 436359526 /nfs/dbraw/zinc/35/95/26/436359526.db2.gz FZDXSKXRFAAVJF-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054327 436359728 /nfs/dbraw/zinc/35/97/28/436359728.db2.gz DLLJYKZODWJTCV-ROUUACIJSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054327 436359729 /nfs/dbraw/zinc/35/97/29/436359729.db2.gz DLLJYKZODWJTCV-ROUUACIJSA-N 2 2 322.468 3.236 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCN(c3cccc[nH+]3)CC2)[nH+]1 ZINC000663315738 436437262 /nfs/dbraw/zinc/43/72/62/436437262.db2.gz LUGRRWRQPUNYQA-UHFFFAOYSA-N 2 2 322.334 3.130 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663473929 436467621 /nfs/dbraw/zinc/46/76/21/436467621.db2.gz ZWPICRHCMDEDGD-BPQIPLTHSA-N 2 2 324.472 3.180 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@H](C)C1 ZINC000663473929 436467625 /nfs/dbraw/zinc/46/76/25/436467625.db2.gz ZWPICRHCMDEDGD-BPQIPLTHSA-N 2 2 324.472 3.180 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280539 436416179 /nfs/dbraw/zinc/41/61/79/436416179.db2.gz JKDYTWPQTQFLEN-VNQPRFMTSA-N 2 2 323.431 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280539 436416182 /nfs/dbraw/zinc/41/61/82/436416182.db2.gz JKDYTWPQTQFLEN-VNQPRFMTSA-N 2 2 323.431 3.173 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283016 436417017 /nfs/dbraw/zinc/41/70/17/436417017.db2.gz ACLJRUTUIYZEFF-QZTJIDSGSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283016 436417021 /nfs/dbraw/zinc/41/70/21/436417021.db2.gz ACLJRUTUIYZEFF-QZTJIDSGSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286897 436418427 /nfs/dbraw/zinc/41/84/27/436418427.db2.gz DAEAWSUTEXQFNW-IRXDYDNUSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286897 436418431 /nfs/dbraw/zinc/41/84/31/436418431.db2.gz DAEAWSUTEXQFNW-IRXDYDNUSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287357 436418473 /nfs/dbraw/zinc/41/84/73/436418473.db2.gz ZIZODYGWOJCJOT-IWKCEXAMSA-N 2 2 302.462 3.261 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287357 436418478 /nfs/dbraw/zinc/41/84/78/436418478.db2.gz ZIZODYGWOJCJOT-IWKCEXAMSA-N 2 2 302.462 3.261 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288699 436419155 /nfs/dbraw/zinc/41/91/55/436419155.db2.gz YBVMGYOJVXZQGA-CJNGLKHVSA-N 2 2 323.868 3.131 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288699 436419158 /nfs/dbraw/zinc/41/91/58/436419158.db2.gz YBVMGYOJVXZQGA-CJNGLKHVSA-N 2 2 323.868 3.131 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287335 436419524 /nfs/dbraw/zinc/41/95/24/436419524.db2.gz HIDOBZNVOUIKSC-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287335 436419529 /nfs/dbraw/zinc/41/95/29/436419529.db2.gz HIDOBZNVOUIKSC-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286379 436419863 /nfs/dbraw/zinc/41/98/63/436419863.db2.gz RVDLZWQSWDKDDB-IEBWSBKVSA-N 2 2 302.462 3.090 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286379 436419866 /nfs/dbraw/zinc/41/98/66/436419866.db2.gz RVDLZWQSWDKDDB-IEBWSBKVSA-N 2 2 302.462 3.090 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000658295685 436420838 /nfs/dbraw/zinc/42/08/38/436420838.db2.gz UXYVGEKKOBWDRM-ROUUACIJSA-N 2 2 306.425 3.120 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000449106420 301799911 /nfs/dbraw/zinc/79/99/11/301799911.db2.gz LYFSCCXQAOTMGO-ISARSNTHSA-N 2 2 302.462 3.287 20 0 DGADLP c1ccc(COc2cccc(C[NH2+]CC34CC(C3)C[NH2+]4)c2)cc1 ZINC000663502318 436472421 /nfs/dbraw/zinc/47/24/21/436472421.db2.gz SPMIOLXZJQDCJX-UHFFFAOYSA-N 2 2 308.425 3.107 20 0 DGADLP CC(C)[NH2+]C1CCN(c2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000663531184 436474521 /nfs/dbraw/zinc/47/45/21/436474521.db2.gz QYAAQHYRYOJLRA-UHFFFAOYSA-N 2 2 311.433 3.187 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000659867206 436549785 /nfs/dbraw/zinc/54/97/85/436549785.db2.gz WEFRVGSMERIKAJ-MRXNPFEDSA-N 2 2 317.477 3.496 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000659867206 436549787 /nfs/dbraw/zinc/54/97/87/436549787.db2.gz WEFRVGSMERIKAJ-MRXNPFEDSA-N 2 2 317.477 3.496 20 0 DGADLP C[C@@H]1CSCC[NH+]1CC1(C[N@H+]2CCSC[C@@H]2C)CCC1 ZINC000659943298 436566040 /nfs/dbraw/zinc/56/60/40/436566040.db2.gz ANWMFWFNCGCXLZ-GASCZTMLSA-N 2 2 314.564 3.031 20 0 DGADLP C[C@@H]1CSCC[NH+]1CC1(C[N@@H+]2CCSC[C@@H]2C)CCC1 ZINC000659943298 436566044 /nfs/dbraw/zinc/56/60/44/436566044.db2.gz ANWMFWFNCGCXLZ-GASCZTMLSA-N 2 2 314.564 3.031 20 0 DGADLP C[C@@H]1CSCC[N@H+]1CC1(C[NH+]2CCSC[C@@H]2C)CCC1 ZINC000659943298 436566045 /nfs/dbraw/zinc/56/60/45/436566045.db2.gz ANWMFWFNCGCXLZ-GASCZTMLSA-N 2 2 314.564 3.031 20 0 DGADLP C[C@@H]1CSCC[N@@H+]1CC1(C[NH+]2CCSC[C@@H]2C)CCC1 ZINC000659943298 436566048 /nfs/dbraw/zinc/56/60/48/436566048.db2.gz ANWMFWFNCGCXLZ-GASCZTMLSA-N 2 2 314.564 3.031 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659979179 436571322 /nfs/dbraw/zinc/57/13/22/436571322.db2.gz QXWVRLIZEAYPRP-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659979179 436571323 /nfs/dbraw/zinc/57/13/23/436571323.db2.gz QXWVRLIZEAYPRP-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659979179 436571324 /nfs/dbraw/zinc/57/13/24/436571324.db2.gz QXWVRLIZEAYPRP-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659979179 436571325 /nfs/dbraw/zinc/57/13/25/436571325.db2.gz QXWVRLIZEAYPRP-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659979184 436572511 /nfs/dbraw/zinc/57/25/11/436572511.db2.gz QXWVRLIZEAYPRP-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659979184 436572514 /nfs/dbraw/zinc/57/25/14/436572514.db2.gz QXWVRLIZEAYPRP-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659979184 436572516 /nfs/dbraw/zinc/57/25/16/436572516.db2.gz QXWVRLIZEAYPRP-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659979184 436572519 /nfs/dbraw/zinc/57/25/19/436572519.db2.gz QXWVRLIZEAYPRP-OAHLLOKOSA-N 2 2 315.486 3.460 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655683602 436573794 /nfs/dbraw/zinc/57/37/94/436573794.db2.gz IIHTUROXQNUCKZ-DYVFJYSZSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655683946 436574582 /nfs/dbraw/zinc/57/45/82/436574582.db2.gz JQQDQTFQAMGNHV-WMZOPIPTSA-N 2 2 302.462 3.207 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@@H+]1C ZINC000659984833 436575339 /nfs/dbraw/zinc/57/53/39/436575339.db2.gz VVEFKIAXLXLNLN-WCQYABFASA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@H+]1C ZINC000659984833 436575344 /nfs/dbraw/zinc/57/53/44/436575344.db2.gz VVEFKIAXLXLNLN-WCQYABFASA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984833 436575349 /nfs/dbraw/zinc/57/53/49/436575349.db2.gz VVEFKIAXLXLNLN-WCQYABFASA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984833 436575352 /nfs/dbraw/zinc/57/53/52/436575352.db2.gz VVEFKIAXLXLNLN-WCQYABFASA-N 2 2 316.367 3.342 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000655693333 436575601 /nfs/dbraw/zinc/57/56/01/436575601.db2.gz XJGSTOVMSYYKDA-RTBURBONSA-N 2 2 302.462 3.289 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000655689183 436576016 /nfs/dbraw/zinc/57/60/16/436576016.db2.gz WQXSFGQLOOQAMM-LSDHHAIUSA-N 2 2 314.564 3.222 20 0 DGADLP COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000659999631 436576582 /nfs/dbraw/zinc/57/65/82/436576582.db2.gz VADFQBYCEIEEBQ-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cccc(SCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000660095695 436587431 /nfs/dbraw/zinc/58/74/31/436587431.db2.gz RQDMSAHOAZLAEU-UHFFFAOYSA-N 2 2 317.458 3.390 20 0 DGADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664365209 436590321 /nfs/dbraw/zinc/59/03/21/436590321.db2.gz WYMVIDGTVDGUKU-SFHVURJKSA-N 2 2 322.456 3.107 20 0 DGADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664365209 436590325 /nfs/dbraw/zinc/59/03/25/436590325.db2.gz WYMVIDGTVDGUKU-SFHVURJKSA-N 2 2 322.456 3.107 20 0 DGADLP CCc1nc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000664365206 436590825 /nfs/dbraw/zinc/59/08/25/436590825.db2.gz WWFUIXVQJKAIJO-SFHVURJKSA-N 2 2 324.472 3.101 20 0 DGADLP CCc1nc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000664365206 436590826 /nfs/dbraw/zinc/59/08/26/436590826.db2.gz WWFUIXVQJKAIJO-SFHVURJKSA-N 2 2 324.472 3.101 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1nsc2ccccc12 ZINC000660147882 436594964 /nfs/dbraw/zinc/59/49/64/436594964.db2.gz QDTGRABMUUVVTB-UHFFFAOYSA-N 2 2 300.431 3.057 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1nsc2ccccc12 ZINC000660147882 436594967 /nfs/dbraw/zinc/59/49/67/436594967.db2.gz QDTGRABMUUVVTB-UHFFFAOYSA-N 2 2 300.431 3.057 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203166 436603786 /nfs/dbraw/zinc/60/37/86/436603786.db2.gz XIZDWBOERYVYGV-PBHICJAKSA-N 2 2 314.420 3.097 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203166 436603789 /nfs/dbraw/zinc/60/37/89/436603789.db2.gz XIZDWBOERYVYGV-PBHICJAKSA-N 2 2 314.420 3.097 20 0 DGADLP Cc1nc(N2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)cc[nH+]1 ZINC000660278934 436617869 /nfs/dbraw/zinc/61/78/69/436617869.db2.gz BYBBUGRRTHOCJE-GOSISDBHSA-N 2 2 322.456 3.027 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000528774810 313080811 /nfs/dbraw/zinc/08/08/11/313080811.db2.gz NPSXLHRSQHGEKX-KRWDZBQOSA-N 2 2 301.409 3.370 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000528774810 313080813 /nfs/dbraw/zinc/08/08/13/313080813.db2.gz NPSXLHRSQHGEKX-KRWDZBQOSA-N 2 2 301.409 3.370 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529095161 313140733 /nfs/dbraw/zinc/14/07/33/313140733.db2.gz VDWOBBLRTPNQHZ-MRXNPFEDSA-N 2 2 316.449 3.227 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529095161 313140737 /nfs/dbraw/zinc/14/07/37/313140737.db2.gz VDWOBBLRTPNQHZ-MRXNPFEDSA-N 2 2 316.449 3.227 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529567710 313229353 /nfs/dbraw/zinc/22/93/53/313229353.db2.gz NQOXWXPSODPNNV-JTQLQIEISA-N 2 2 311.763 3.341 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529567710 313229354 /nfs/dbraw/zinc/22/93/54/313229354.db2.gz NQOXWXPSODPNNV-JTQLQIEISA-N 2 2 311.763 3.341 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000529666298 313250149 /nfs/dbraw/zinc/25/01/49/313250149.db2.gz VRTQKMSEWNYZJQ-UHFFFAOYSA-N 2 2 314.473 3.251 20 0 DGADLP c1cn(Cc2cncc(Cn3cc[nH+]c3C3CC3)c2)c(C2CC2)[nH+]1 ZINC000530131072 313325712 /nfs/dbraw/zinc/32/57/12/313325712.db2.gz WTJDZTAJPOVCMV-UHFFFAOYSA-N 2 2 319.412 3.326 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2[nH]c(=O)oc2c1 ZINC000530219253 313341119 /nfs/dbraw/zinc/34/11/19/313341119.db2.gz ZNSTWGRQKQSFTK-HOTGVXAUSA-N 2 2 315.417 3.105 20 0 DGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2[nH]c(=O)oc2c1 ZINC000530219266 313341619 /nfs/dbraw/zinc/34/16/19/313341619.db2.gz ZNSTWGRQKQSFTK-HZPDHXFCSA-N 2 2 315.417 3.105 20 0 DGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)oc21 ZINC000530224263 313342888 /nfs/dbraw/zinc/34/28/88/313342888.db2.gz VUJMXIKCAFXZPI-BLLLJJGKSA-N 2 2 300.402 3.377 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC)c(OC)c1 ZINC000530226346 313343357 /nfs/dbraw/zinc/34/33/57/313343357.db2.gz ZYHPAZPKOGANIP-WMLDXEAASA-N 2 2 304.434 3.029 20 0 DGADLP c1cn(CCCC[NH2+][C@H]2CSCCc3ccccc32)c[nH+]1 ZINC000532477019 313553243 /nfs/dbraw/zinc/55/32/43/313553243.db2.gz FGZKSILKUNCLSJ-KRWDZBQOSA-N 2 2 301.459 3.284 20 0 DGADLP COc1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536369687 313758071 /nfs/dbraw/zinc/75/80/71/313758071.db2.gz MOQKUUIFAXBFQO-UHFFFAOYSA-N 2 2 311.429 3.209 20 0 DGADLP CCc1cc(N2CCC[N@H+](CC3CCCCC3)CC2)nc(C)[nH+]1 ZINC000542021155 314053615 /nfs/dbraw/zinc/05/36/15/314053615.db2.gz ATFKKUZPGQIQFR-UHFFFAOYSA-N 2 2 316.493 3.440 20 0 DGADLP CCc1cc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc(C)[nH+]1 ZINC000542021155 314053620 /nfs/dbraw/zinc/05/36/20/314053620.db2.gz ATFKKUZPGQIQFR-UHFFFAOYSA-N 2 2 316.493 3.440 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC(=O)Nc3ccccc31)CCC2 ZINC000542471893 314078312 /nfs/dbraw/zinc/07/83/12/314078312.db2.gz GCDUVKCGHQJAPZ-ZBFHGGJFSA-N 2 2 324.428 3.132 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476056 314078854 /nfs/dbraw/zinc/07/88/54/314078854.db2.gz UDVZOTPGLJICNZ-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476056 314078857 /nfs/dbraw/zinc/07/88/57/314078857.db2.gz UDVZOTPGLJICNZ-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360963 314188064 /nfs/dbraw/zinc/18/80/64/314188064.db2.gz XIZRQPMHIHKWIG-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360963 314188066 /nfs/dbraw/zinc/18/80/66/314188066.db2.gz XIZRQPMHIHKWIG-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868476 314271288 /nfs/dbraw/zinc/27/12/88/314271288.db2.gz NSLWTDJXUIWZIP-HKUYNNGSSA-N 2 2 316.445 3.176 20 0 DGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868476 314271290 /nfs/dbraw/zinc/27/12/90/314271290.db2.gz NSLWTDJXUIWZIP-HKUYNNGSSA-N 2 2 316.445 3.176 20 0 DGADLP COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)oc21 ZINC000547654637 314384177 /nfs/dbraw/zinc/38/41/77/314384177.db2.gz OHHHVNNYGLLEPD-TZMCWYRMSA-N 2 2 311.385 3.304 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)n1C ZINC000563549032 315123619 /nfs/dbraw/zinc/12/36/19/315123619.db2.gz DAAGKXIBFRSHFT-LBPRGKRZSA-N 2 2 314.408 3.080 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@@H]3CCC[N@H+](C)C3)c2cc1F ZINC000563912233 315146081 /nfs/dbraw/zinc/14/60/81/315146081.db2.gz ZNNAXKJDZKVDKC-LBPRGKRZSA-N 2 2 303.381 3.136 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@@H]3CCC[N@@H+](C)C3)c2cc1F ZINC000563912233 315146082 /nfs/dbraw/zinc/14/60/82/315146082.db2.gz ZNNAXKJDZKVDKC-LBPRGKRZSA-N 2 2 303.381 3.136 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000564149095 315159848 /nfs/dbraw/zinc/15/98/48/315159848.db2.gz RRKZVMVEDUEGQF-XEYPJELSSA-N 2 2 318.505 3.426 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000564149095 315159850 /nfs/dbraw/zinc/15/98/50/315159850.db2.gz RRKZVMVEDUEGQF-XEYPJELSSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)CCC[NH+](C)C ZINC000564312662 315167810 /nfs/dbraw/zinc/16/78/10/315167810.db2.gz HUCLMWNJGLGRHY-UHFFFAOYSA-N 2 2 314.477 3.379 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000564312662 315167812 /nfs/dbraw/zinc/16/78/12/315167812.db2.gz HUCLMWNJGLGRHY-UHFFFAOYSA-N 2 2 314.477 3.379 20 0 DGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cc2cc(F)ccc2o1 ZINC000564609613 315186041 /nfs/dbraw/zinc/18/60/41/315186041.db2.gz JMLYRBABGLGKNC-UHFFFAOYSA-N 2 2 322.299 3.405 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000564826438 315203719 /nfs/dbraw/zinc/20/37/19/315203719.db2.gz KEOYXWVJKPLPDH-ZWKOTPCHSA-N 2 2 324.472 3.111 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000565802103 315288574 /nfs/dbraw/zinc/28/85/74/315288574.db2.gz WKFUHEPVZWIHOT-UHFFFAOYSA-N 2 2 313.420 3.284 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000566623242 315363562 /nfs/dbraw/zinc/36/35/62/315363562.db2.gz CHJUNFASJOVQAP-SFHVURJKSA-N 2 2 320.452 3.103 20 0 DGADLP COc1ccccc1C1(C[NH2+]Cc2c[nH+]c(C)n2C)CCCC1 ZINC000568269792 315498195 /nfs/dbraw/zinc/49/81/95/315498195.db2.gz YCFQYRPDDXTHNF-UHFFFAOYSA-N 2 2 313.445 3.339 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000569803430 315604723 /nfs/dbraw/zinc/60/47/23/315604723.db2.gz VDPDEQAOKJHXEK-UHFFFAOYSA-N 2 2 317.820 3.204 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c(C)c1 ZINC000574868307 316009265 /nfs/dbraw/zinc/00/92/65/316009265.db2.gz XVWFBBUGSUGKOA-GOSISDBHSA-N 2 2 316.489 3.297 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c(C)c1 ZINC000574868307 316009268 /nfs/dbraw/zinc/00/92/68/316009268.db2.gz XVWFBBUGSUGKOA-GOSISDBHSA-N 2 2 316.489 3.297 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000575115305 316034578 /nfs/dbraw/zinc/03/45/78/316034578.db2.gz URQVOMCPRMYGRA-QYZOEREBSA-N 2 2 321.424 3.219 20 0 DGADLP Clc1cccc(Cl)c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575932595 316077727 /nfs/dbraw/zinc/07/77/27/316077727.db2.gz OOFTVAJOKMMSNY-UHFFFAOYSA-N 2 2 311.216 3.039 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)sc2c1 ZINC000576789562 316167409 /nfs/dbraw/zinc/16/74/09/316167409.db2.gz MDLRTSNKABLFGO-CYBMUJFWSA-N 2 2 319.474 3.125 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)sc2c1 ZINC000576789562 316167412 /nfs/dbraw/zinc/16/74/12/316167412.db2.gz MDLRTSNKABLFGO-CYBMUJFWSA-N 2 2 319.474 3.125 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000576992215 316189709 /nfs/dbraw/zinc/18/97/09/316189709.db2.gz HAGGBEQALZECDK-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000576992215 316189714 /nfs/dbraw/zinc/18/97/14/316189714.db2.gz HAGGBEQALZECDK-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000576992211 316190033 /nfs/dbraw/zinc/19/00/33/316190033.db2.gz HAGGBEQALZECDK-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000576992211 316190036 /nfs/dbraw/zinc/19/00/36/316190036.db2.gz HAGGBEQALZECDK-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cncc(Br)c1 ZINC000577413081 316234157 /nfs/dbraw/zinc/23/41/57/316234157.db2.gz WWRUFJLIFSUBOS-GFCCVEGCSA-N 2 2 323.238 3.172 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000577672992 316258388 /nfs/dbraw/zinc/25/83/88/316258388.db2.gz DNLZYZLYLZPKHC-CQSZACIVSA-N 2 2 323.868 3.133 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)cc[nH+]1 ZINC000577882409 316281802 /nfs/dbraw/zinc/28/18/02/316281802.db2.gz XFIHPBCCTOCIEE-SJORKVTESA-N 2 2 302.418 3.027 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922766 323217009 /nfs/dbraw/zinc/21/70/09/323217009.db2.gz OIBPCDIENOXPHM-BFYDXBDKSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922766 323217010 /nfs/dbraw/zinc/21/70/10/323217010.db2.gz OIBPCDIENOXPHM-BFYDXBDKSA-N 2 2 302.466 3.213 20 0 DGADLP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180328528 323226741 /nfs/dbraw/zinc/22/67/41/323226741.db2.gz TXASFHGFXGGCBY-IBGZPJMESA-N 2 2 323.440 3.353 20 0 DGADLP C[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C[C@@H]1C ZINC000182182939 323286555 /nfs/dbraw/zinc/28/65/55/323286555.db2.gz UUGHYXOTWXMZNF-RDBSUJKOSA-N 2 2 322.416 3.447 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182369996 323295988 /nfs/dbraw/zinc/29/59/88/323295988.db2.gz RWWNAIJHTIEMLM-HNNXBMFYSA-N 2 2 306.425 3.062 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182369996 323295993 /nfs/dbraw/zinc/29/59/93/323295993.db2.gz RWWNAIJHTIEMLM-HNNXBMFYSA-N 2 2 306.425 3.062 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CCCC[NH2+]1 ZINC000386574179 323638399 /nfs/dbraw/zinc/63/83/99/323638399.db2.gz MQQHWWGITNZJHO-ONGXEEELSA-N 2 2 303.269 3.131 20 0 DGADLP C[C@H](CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963437 324059077 /nfs/dbraw/zinc/05/90/77/324059077.db2.gz RIJUDFDELHUFPI-QUCCMNQESA-N 2 2 316.489 3.367 20 0 DGADLP C[C@H](CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963437 324059081 /nfs/dbraw/zinc/05/90/81/324059081.db2.gz RIJUDFDELHUFPI-QUCCMNQESA-N 2 2 316.489 3.367 20 0 DGADLP c1cn(Cc2ccccc2)c(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000581072283 324070742 /nfs/dbraw/zinc/07/07/42/324070742.db2.gz WCWIWYYZGBIMQZ-RBUKOAKNSA-N 2 2 324.472 3.038 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000581081950 324073025 /nfs/dbraw/zinc/07/30/25/324073025.db2.gz GMENLVRUUAJEFF-NSHDSACASA-N 2 2 311.351 3.468 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892026 324165597 /nfs/dbraw/zinc/16/55/97/324165597.db2.gz WEEPUQNZTZNZMC-PWSUYJOCSA-N 2 2 320.330 3.078 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892026 324165598 /nfs/dbraw/zinc/16/55/98/324165598.db2.gz WEEPUQNZTZNZMC-PWSUYJOCSA-N 2 2 320.330 3.078 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000582056653 324183912 /nfs/dbraw/zinc/18/39/12/324183912.db2.gz PKENGBWVKVRPGA-HZPDHXFCSA-N 3 2 318.852 3.275 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000582056653 324183915 /nfs/dbraw/zinc/18/39/15/324183915.db2.gz PKENGBWVKVRPGA-HZPDHXFCSA-N 2 2 318.852 3.275 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582586587 324248443 /nfs/dbraw/zinc/24/84/43/324248443.db2.gz SMKCDXYCVCAKPN-FOLVSLTJSA-N 2 2 301.434 3.280 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091543 324312486 /nfs/dbraw/zinc/31/24/86/324312486.db2.gz RZVOLLVEVDRDBR-GDBMZVCRSA-N 2 2 319.836 3.251 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091543 324312489 /nfs/dbraw/zinc/31/24/89/324312489.db2.gz RZVOLLVEVDRDBR-GDBMZVCRSA-N 2 2 319.836 3.251 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000583211909 324326734 /nfs/dbraw/zinc/32/67/34/324326734.db2.gz HEXRXWRCATVZEJ-PSASIEDQSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000583211909 324326739 /nfs/dbraw/zinc/32/67/39/324326739.db2.gz HEXRXWRCATVZEJ-PSASIEDQSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3C[C@H]3CC(C)C)c2cc1C ZINC000583317604 324338522 /nfs/dbraw/zinc/33/85/22/324338522.db2.gz QFRRBCIXZAZDQM-IXDOHACOSA-N 2 2 315.461 3.038 20 0 DGADLP CCC(C)(C)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000568840873 500647691 /nfs/dbraw/zinc/64/76/91/500647691.db2.gz GORDTICTLRLPLL-QGZVFWFLSA-N 3 2 318.509 3.008 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340470943 500928316 /nfs/dbraw/zinc/92/83/16/500928316.db2.gz SIMZRQUWIYIXLA-WDSOQIARSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000428214076 533877173 /nfs/dbraw/zinc/87/71/73/533877173.db2.gz BEMMDZJORBVLJU-QFBILLFUSA-N 2 2 313.445 3.021 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000302683717 533909513 /nfs/dbraw/zinc/90/95/13/533909513.db2.gz XPYCUPUTHSLLQP-HNNXBMFYSA-N 2 2 311.429 3.226 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)oc1C ZINC000432829028 533926106 /nfs/dbraw/zinc/92/61/06/533926106.db2.gz LSMFNAGYWPQBQB-DZGCQCFKSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)oc1C ZINC000432829028 533926112 /nfs/dbraw/zinc/92/61/12/533926112.db2.gz LSMFNAGYWPQBQB-DZGCQCFKSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)oc1C ZINC000432829028 533926118 /nfs/dbraw/zinc/92/61/18/533926118.db2.gz LSMFNAGYWPQBQB-DZGCQCFKSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)oc1C ZINC000432829028 533926125 /nfs/dbraw/zinc/92/61/25/533926125.db2.gz LSMFNAGYWPQBQB-DZGCQCFKSA-N 2 2 322.449 3.242 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc[nH+]1 ZINC000302134747 534002613 /nfs/dbraw/zinc/00/26/13/534002613.db2.gz HOZVLWXHYOQERG-IPMKNSEASA-N 2 2 322.456 3.498 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc[nH+]1 ZINC000302134747 534002623 /nfs/dbraw/zinc/00/26/23/534002623.db2.gz HOZVLWXHYOQERG-IPMKNSEASA-N 2 2 322.456 3.498 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553356 534088027 /nfs/dbraw/zinc/08/80/27/534088027.db2.gz WXHKEGMSVURSAW-YDHLFZDLSA-N 2 2 308.853 3.322 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553356 534088035 /nfs/dbraw/zinc/08/80/35/534088035.db2.gz WXHKEGMSVURSAW-YDHLFZDLSA-N 2 2 308.853 3.322 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000429426606 534087841 /nfs/dbraw/zinc/08/78/41/534087841.db2.gz NOEFNGWYLXUQAX-DCGLDWPTSA-N 2 2 308.853 3.180 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000429426606 534087850 /nfs/dbraw/zinc/08/78/50/534087850.db2.gz NOEFNGWYLXUQAX-DCGLDWPTSA-N 2 2 308.853 3.180 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)C3(C)CC3)c2cc1C ZINC000177231286 534138971 /nfs/dbraw/zinc/13/89/71/534138971.db2.gz NVIJYBDKXOEGDJ-JKSUJKDBSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)C3(C)CC3)c2cc1C ZINC000177231286 534138979 /nfs/dbraw/zinc/13/89/79/534138979.db2.gz NVIJYBDKXOEGDJ-JKSUJKDBSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)o1 ZINC000430555114 534214810 /nfs/dbraw/zinc/21/48/10/534214810.db2.gz RONOQEUQQDXZQP-OLZOCXBDSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)o1 ZINC000430555114 534214812 /nfs/dbraw/zinc/21/48/12/534214812.db2.gz RONOQEUQQDXZQP-OLZOCXBDSA-N 2 2 305.447 3.271 20 0 DGADLP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000430765259 534423385 /nfs/dbraw/zinc/42/33/85/534423385.db2.gz VIHKJGCDWFVDKQ-HNNXBMFYSA-N 2 2 309.404 3.071 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302050633 534624367 /nfs/dbraw/zinc/62/43/67/534624367.db2.gz NRGXWIJVVSIAML-CQSZACIVSA-N 2 2 300.450 3.093 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302050633 534624370 /nfs/dbraw/zinc/62/43/70/534624370.db2.gz NRGXWIJVVSIAML-CQSZACIVSA-N 2 2 300.450 3.093 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435616051 534639652 /nfs/dbraw/zinc/63/96/52/534639652.db2.gz KYZHCBXVHWAIAE-INIZCTEOSA-N 2 2 317.477 3.131 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435616051 534639657 /nfs/dbraw/zinc/63/96/57/534639657.db2.gz KYZHCBXVHWAIAE-INIZCTEOSA-N 2 2 317.477 3.131 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000294659180 534641159 /nfs/dbraw/zinc/64/11/59/534641159.db2.gz AHKUHBFJQGILMZ-CYBMUJFWSA-N 2 2 303.793 3.308 20 0 DGADLP Cc1cccc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000302234278 534748013 /nfs/dbraw/zinc/74/80/13/534748013.db2.gz GOZHKBNITWFQRM-KRWDZBQOSA-N 2 2 310.445 3.013 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000157318144 524449850 /nfs/dbraw/zinc/44/98/50/524449850.db2.gz ZIGCQJKQXBPWIW-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000157318144 524449858 /nfs/dbraw/zinc/44/98/58/524449858.db2.gz ZIGCQJKQXBPWIW-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP CC(C)(CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000294957151 527047219 /nfs/dbraw/zinc/04/72/19/527047219.db2.gz JAIPDAVEKAKVOE-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1C ZINC000430571955 527169836 /nfs/dbraw/zinc/16/98/36/527169836.db2.gz DWWYBAJREBZHJH-SGTLLEGYSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1C ZINC000430571955 527169843 /nfs/dbraw/zinc/16/98/43/527169843.db2.gz DWWYBAJREBZHJH-SGTLLEGYSA-N 2 2 302.462 3.374 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000431104497 527262481 /nfs/dbraw/zinc/26/24/81/527262481.db2.gz GFYLCGQXRGMIAX-HNNXBMFYSA-N 2 2 318.396 3.034 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159289985 527745278 /nfs/dbraw/zinc/74/52/78/527745278.db2.gz FSDDWZQAADHGBI-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159289985 527745286 /nfs/dbraw/zinc/74/52/86/527745286.db2.gz FSDDWZQAADHGBI-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CCC[N@H+](C)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000428201802 527825831 /nfs/dbraw/zinc/82/58/31/527825831.db2.gz UBSPXZNBOUBICZ-UHFFFAOYSA-N 2 2 313.401 3.463 20 0 DGADLP CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000428201802 527825835 /nfs/dbraw/zinc/82/58/35/527825835.db2.gz UBSPXZNBOUBICZ-UHFFFAOYSA-N 2 2 313.401 3.463 20 0 DGADLP CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435631066 527924501 /nfs/dbraw/zinc/92/45/01/527924501.db2.gz ZRPCPDFNQILSQN-SFHVURJKSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435631066 527924506 /nfs/dbraw/zinc/92/45/06/527924506.db2.gz ZRPCPDFNQILSQN-SFHVURJKSA-N 2 2 317.477 3.213 20 0 DGADLP CCCCCOc1cc(C[NH+]2CCC([NH2+]C)CC2)ccc1OC ZINC000435368062 528233859 /nfs/dbraw/zinc/23/38/59/528233859.db2.gz FALLWPZKSPXAIS-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP CCn1c[nH+]cc1CNC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000316130360 528247076 /nfs/dbraw/zinc/24/70/76/528247076.db2.gz RWPMLTFPTOATSQ-SFHVURJKSA-N 2 2 300.450 3.076 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423300178 528821228 /nfs/dbraw/zinc/82/12/28/528821228.db2.gz RAVINNBVOQENSD-YJBOKZPZSA-N 2 2 300.450 3.100 20 0 DGADLP CC[N@H+](Cc1sccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435388570 528920745 /nfs/dbraw/zinc/92/07/45/528920745.db2.gz GNTWTAIZQWRUDC-LLVKDONJSA-N 2 2 317.296 3.475 20 0 DGADLP CC[N@@H+](Cc1sccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435388570 528920748 /nfs/dbraw/zinc/92/07/48/528920748.db2.gz GNTWTAIZQWRUDC-LLVKDONJSA-N 2 2 317.296 3.475 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000414819259 528952585 /nfs/dbraw/zinc/95/25/85/528952585.db2.gz YGXSVZDQBSXPRC-CYBMUJFWSA-N 2 2 314.857 3.354 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000314828821 528971787 /nfs/dbraw/zinc/97/17/87/528971787.db2.gz QJIZGJKPBUPFFF-UHFFFAOYSA-N 2 2 306.425 3.205 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000314828821 528971795 /nfs/dbraw/zinc/97/17/95/528971795.db2.gz QJIZGJKPBUPFFF-UHFFFAOYSA-N 2 2 306.425 3.205 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428867109 529052164 /nfs/dbraw/zinc/05/21/64/529052164.db2.gz IYVHKCNAMXRWIG-LBPRGKRZSA-N 2 2 307.438 3.257 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428867109 529052165 /nfs/dbraw/zinc/05/21/65/529052165.db2.gz IYVHKCNAMXRWIG-LBPRGKRZSA-N 2 2 307.438 3.257 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC34CCCC4)sc2C1 ZINC000428534500 529084351 /nfs/dbraw/zinc/08/43/51/529084351.db2.gz IOQBVQLQZUAPKE-HNNXBMFYSA-N 2 2 305.491 3.332 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC34CCCC4)sc2C1 ZINC000428534500 529084358 /nfs/dbraw/zinc/08/43/58/529084358.db2.gz IOQBVQLQZUAPKE-HNNXBMFYSA-N 2 2 305.491 3.332 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435614528 529102140 /nfs/dbraw/zinc/10/21/40/529102140.db2.gz MPXOADYEXUMJKK-ZFWWWQNUSA-N 2 2 311.495 3.205 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435614528 529102143 /nfs/dbraw/zinc/10/21/43/529102143.db2.gz MPXOADYEXUMJKK-ZFWWWQNUSA-N 2 2 311.495 3.205 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488371395 535250798 /nfs/dbraw/zinc/25/07/98/535250798.db2.gz STJYANLQNNCWOR-NVXWUHKLSA-N 2 2 301.459 3.492 20 0 DGADLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449527054 535653197 /nfs/dbraw/zinc/65/31/97/535653197.db2.gz YWMHDEYFRJXHHB-HNNXBMFYSA-N 2 2 317.477 3.388 20 0 DGADLP CCOC1CC(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000452113675 535752235 /nfs/dbraw/zinc/75/22/35/535752235.db2.gz IFNSPLWRYZKVCA-UHFFFAOYSA-N 2 2 322.415 3.150 20 0 DGADLP CCOC1CC(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000452113675 535752238 /nfs/dbraw/zinc/75/22/38/535752238.db2.gz IFNSPLWRYZKVCA-UHFFFAOYSA-N 2 2 322.415 3.150 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000449090750 535918827 /nfs/dbraw/zinc/91/88/27/535918827.db2.gz NVMAZYYJIGENSC-IBGZPJMESA-N 2 2 302.462 3.187 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000493694880 536907759 /nfs/dbraw/zinc/90/77/59/536907759.db2.gz YHVMEFVVHXQFGN-CUYVQJCZSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000493694880 536907762 /nfs/dbraw/zinc/90/77/62/536907762.db2.gz YHVMEFVVHXQFGN-CUYVQJCZSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000493694881 536907840 /nfs/dbraw/zinc/90/78/40/536907840.db2.gz YHVMEFVVHXQFGN-QCUYGVNKSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000493694881 536907842 /nfs/dbraw/zinc/90/78/42/536907842.db2.gz YHVMEFVVHXQFGN-QCUYGVNKSA-N 2 2 302.462 3.260 20 0 DGADLP COc1cccc2c(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cccc12 ZINC000449336617 536933051 /nfs/dbraw/zinc/93/30/51/536933051.db2.gz NWYLCUXYAPPULW-AWEZNQCLSA-N 2 2 307.397 3.219 20 0 DGADLP COc1cccc2c(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cccc12 ZINC000449336617 536933056 /nfs/dbraw/zinc/93/30/56/536933056.db2.gz NWYLCUXYAPPULW-AWEZNQCLSA-N 2 2 307.397 3.219 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672404 545676203 /nfs/dbraw/zinc/67/62/03/545676203.db2.gz SGXKBCKCTVCBAP-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672404 545676209 /nfs/dbraw/zinc/67/62/09/545676209.db2.gz SGXKBCKCTVCBAP-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP Cc1cc(NCCc2cn3cccc(C)c3[nH+]2)nc(C2CC2)[nH+]1 ZINC000080676191 545764218 /nfs/dbraw/zinc/76/42/18/545764218.db2.gz BLYPETLOMVNXET-UHFFFAOYSA-N 2 2 307.401 3.273 20 0 DGADLP CCOCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169766 545822866 /nfs/dbraw/zinc/82/28/66/545822866.db2.gz OMBJDVSZOJTEES-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP CCOCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169766 545822867 /nfs/dbraw/zinc/82/28/67/545822867.db2.gz OMBJDVSZOJTEES-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187409 545824721 /nfs/dbraw/zinc/82/47/21/545824721.db2.gz WKLXQGCXKMVRLO-AEFFLSMTSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187409 545824726 /nfs/dbraw/zinc/82/47/26/545824726.db2.gz WKLXQGCXKMVRLO-AEFFLSMTSA-N 2 2 318.505 3.426 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(F)F ZINC000092737423 545850040 /nfs/dbraw/zinc/85/00/40/545850040.db2.gz WYJBNQPIXTZGSC-UHFFFAOYSA-N 2 2 300.393 3.104 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(F)F ZINC000092737423 545850047 /nfs/dbraw/zinc/85/00/47/545850047.db2.gz WYJBNQPIXTZGSC-UHFFFAOYSA-N 2 2 300.393 3.104 20 0 DGADLP C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123436277 545905948 /nfs/dbraw/zinc/90/59/48/545905948.db2.gz ZLHNWDMZQHRYLX-WUJZJPHMSA-N 2 2 313.445 3.464 20 0 DGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000131512806 545957212 /nfs/dbraw/zinc/95/72/12/545957212.db2.gz AJEGVOFZBJWAKM-QGZVFWFLSA-N 2 2 322.836 3.002 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690816 546042407 /nfs/dbraw/zinc/04/24/07/546042407.db2.gz MYMAJLJJRNDHEH-IRXDYDNUSA-N 2 2 318.461 3.229 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690816 546042410 /nfs/dbraw/zinc/04/24/10/546042410.db2.gz MYMAJLJJRNDHEH-IRXDYDNUSA-N 2 2 318.461 3.229 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157654432 546042909 /nfs/dbraw/zinc/04/29/09/546042909.db2.gz XZPLYYQXAWSUDU-FUHWJXTLSA-N 2 2 300.446 3.283 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157654432 546042913 /nfs/dbraw/zinc/04/29/13/546042913.db2.gz XZPLYYQXAWSUDU-FUHWJXTLSA-N 2 2 300.446 3.283 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157786391 546043762 /nfs/dbraw/zinc/04/37/62/546043762.db2.gz ALNLOPDUGWGNOJ-LPHOPBHVSA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157786391 546043763 /nfs/dbraw/zinc/04/37/63/546043763.db2.gz ALNLOPDUGWGNOJ-LPHOPBHVSA-N 2 2 300.446 3.147 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000163730141 546084452 /nfs/dbraw/zinc/08/44/52/546084452.db2.gz ROZYCFWIPAXZDD-KRWDZBQOSA-N 2 2 308.853 3.028 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000167882616 546097938 /nfs/dbraw/zinc/09/79/38/546097938.db2.gz QKXZJRHESULOFC-DLBZAZTESA-N 3 2 317.521 3.436 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000180232558 546143581 /nfs/dbraw/zinc/14/35/81/546143581.db2.gz BVIIBTRXSSICGA-LLVKDONJSA-N 2 2 313.380 3.202 20 0 DGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533588 546249052 /nfs/dbraw/zinc/24/90/52/546249052.db2.gz LUGVTSFXVRUCGE-QMMLZNLJSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533588 546249055 /nfs/dbraw/zinc/24/90/55/546249055.db2.gz LUGVTSFXVRUCGE-QMMLZNLJSA-N 2 2 324.468 3.015 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000228201263 546269659 /nfs/dbraw/zinc/26/96/59/546269659.db2.gz NSKVACBSIPUUNE-ZFWWWQNUSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000228201263 546269663 /nfs/dbraw/zinc/26/96/63/546269663.db2.gz NSKVACBSIPUUNE-ZFWWWQNUSA-N 2 2 301.459 3.288 20 0 DGADLP C(c1noc2c1CCCC2)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246803607 546306366 /nfs/dbraw/zinc/30/63/66/546306366.db2.gz MYMFAYSQFHBTRF-KSSFIOAISA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246803607 546306369 /nfs/dbraw/zinc/30/63/69/546306369.db2.gz MYMFAYSQFHBTRF-KSSFIOAISA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246803607 546306372 /nfs/dbraw/zinc/30/63/72/546306372.db2.gz MYMFAYSQFHBTRF-KSSFIOAISA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246803607 546306374 /nfs/dbraw/zinc/30/63/74/546306374.db2.gz MYMFAYSQFHBTRF-KSSFIOAISA-N 2 2 315.461 3.002 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267445452 546347089 /nfs/dbraw/zinc/34/70/89/546347089.db2.gz PZTPWUSPZXYPLY-AWEZNQCLSA-N 2 2 317.458 3.390 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267445452 546347092 /nfs/dbraw/zinc/34/70/92/546347092.db2.gz PZTPWUSPZXYPLY-AWEZNQCLSA-N 2 2 317.458 3.390 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC000280177891 546380759 /nfs/dbraw/zinc/38/07/59/546380759.db2.gz RNFAXCAWIWATLO-KBRIMQKVSA-N 2 2 318.461 3.009 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)CC2 ZINC000280177891 546380764 /nfs/dbraw/zinc/38/07/64/546380764.db2.gz RNFAXCAWIWATLO-KBRIMQKVSA-N 2 2 318.461 3.009 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ncc[nH]1 ZINC000285943729 546399707 /nfs/dbraw/zinc/39/97/07/546399707.db2.gz FVAMPJZYDSKFCY-HPFXQQBRSA-N 2 2 312.461 3.217 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ncc[nH]1 ZINC000285943729 546399712 /nfs/dbraw/zinc/39/97/12/546399712.db2.gz FVAMPJZYDSKFCY-HPFXQQBRSA-N 2 2 312.461 3.217 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220113 546402145 /nfs/dbraw/zinc/40/21/45/546402145.db2.gz SJYBRMXWRWLJOW-ZIAGYGMSSA-N 2 2 304.463 3.034 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220113 546402148 /nfs/dbraw/zinc/40/21/48/546402148.db2.gz SJYBRMXWRWLJOW-ZIAGYGMSSA-N 2 2 304.463 3.034 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309898487 546451940 /nfs/dbraw/zinc/45/19/40/546451940.db2.gz OFNNFDBAVLWAAJ-LULLPPNCSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309898487 546451942 /nfs/dbraw/zinc/45/19/42/546451942.db2.gz OFNNFDBAVLWAAJ-LULLPPNCSA-N 2 2 302.462 3.197 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC000319342502 546464147 /nfs/dbraw/zinc/46/41/47/546464147.db2.gz QXBIOVRPHAQMBT-WFASDCNBSA-N 2 2 316.342 3.405 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C2 ZINC000319342502 546464151 /nfs/dbraw/zinc/46/41/51/546464151.db2.gz QXBIOVRPHAQMBT-WFASDCNBSA-N 2 2 316.342 3.405 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066846 546532199 /nfs/dbraw/zinc/53/21/99/546532199.db2.gz IENBLYMYHOBIFG-KURKYZTESA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066846 546532204 /nfs/dbraw/zinc/53/22/04/546532204.db2.gz IENBLYMYHOBIFG-KURKYZTESA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339066846 546532208 /nfs/dbraw/zinc/53/22/08/546532208.db2.gz IENBLYMYHOBIFG-KURKYZTESA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339066846 546532213 /nfs/dbraw/zinc/53/22/13/546532213.db2.gz IENBLYMYHOBIFG-KURKYZTESA-N 3 2 307.526 3.103 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348281107 546587404 /nfs/dbraw/zinc/58/74/04/546587404.db2.gz RSVNNWBOVZOYDM-AABGKKOBSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348281107 546587410 /nfs/dbraw/zinc/58/74/10/546587410.db2.gz RSVNNWBOVZOYDM-AABGKKOBSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348281108 546587552 /nfs/dbraw/zinc/58/75/52/546587552.db2.gz RSVNNWBOVZOYDM-AQNXPRMDSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348281108 546587556 /nfs/dbraw/zinc/58/75/56/546587556.db2.gz RSVNNWBOVZOYDM-AQNXPRMDSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348281110 546587623 /nfs/dbraw/zinc/58/76/23/546587623.db2.gz RSVNNWBOVZOYDM-VAMGGRTRSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348281110 546587624 /nfs/dbraw/zinc/58/76/24/546587624.db2.gz RSVNNWBOVZOYDM-VAMGGRTRSA-N 2 2 314.473 3.056 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000355228625 546679141 /nfs/dbraw/zinc/67/91/41/546679141.db2.gz VQLCXUBKLDTONW-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355228625 546679148 /nfs/dbraw/zinc/67/91/48/546679148.db2.gz VQLCXUBKLDTONW-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658806 546735054 /nfs/dbraw/zinc/73/50/54/546735054.db2.gz XJWMPEXOHNGJFO-WMZOPIPTSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658806 546735059 /nfs/dbraw/zinc/73/50/59/546735059.db2.gz XJWMPEXOHNGJFO-WMZOPIPTSA-N 2 2 312.461 3.046 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389850206 546753184 /nfs/dbraw/zinc/75/31/84/546753184.db2.gz USMPIVCXQNNGOX-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389850206 546753188 /nfs/dbraw/zinc/75/31/88/546753188.db2.gz USMPIVCXQNNGOX-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390621285 546754150 /nfs/dbraw/zinc/75/41/50/546754150.db2.gz ZNYQYJXIXQQBDE-FXAWDEMLSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390621285 546754155 /nfs/dbraw/zinc/75/41/55/546754155.db2.gz ZNYQYJXIXQQBDE-FXAWDEMLSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc2cccc(F)c2o1 ZINC000419699286 546804386 /nfs/dbraw/zinc/80/43/86/546804386.db2.gz WBDUEGWVBJTKRE-NSHDSACASA-N 2 2 316.380 3.222 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1C ZINC000419702394 546805208 /nfs/dbraw/zinc/80/52/08/546805208.db2.gz BKLVCRAVISTYGD-GOEBONIOSA-N 2 2 316.424 3.051 20 0 DGADLP C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1[nH]cc[nH+]1 ZINC000428472372 546812478 /nfs/dbraw/zinc/81/24/78/546812478.db2.gz HYWYDDYNXKWTHB-KFWWJZLASA-N 2 2 314.433 3.192 20 0 DGADLP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1[nH]cc[nH+]1 ZINC000428472374 546812777 /nfs/dbraw/zinc/81/27/77/546812777.db2.gz HYWYDDYNXKWTHB-RBSFLKMASA-N 2 2 314.433 3.192 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@@H]1c1ccccc1 ZINC000453372822 546859935 /nfs/dbraw/zinc/85/99/35/546859935.db2.gz VBMKOSDISBWRES-FUHWJXTLSA-N 2 2 311.429 3.477 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@@H]1c1ccccc1 ZINC000453372822 546859936 /nfs/dbraw/zinc/85/99/36/546859936.db2.gz VBMKOSDISBWRES-FUHWJXTLSA-N 2 2 311.429 3.477 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486815314 546915743 /nfs/dbraw/zinc/91/57/43/546915743.db2.gz NMPLBNRGNPEHKU-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000486815314 546915748 /nfs/dbraw/zinc/91/57/48/546915748.db2.gz NMPLBNRGNPEHKU-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)cs1 ZINC000516660719 546957579 /nfs/dbraw/zinc/95/75/79/546957579.db2.gz FDRNENXLZXMGEO-HNNXBMFYSA-N 2 2 317.458 3.171 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)cs1 ZINC000516660719 546957585 /nfs/dbraw/zinc/95/75/85/546957585.db2.gz FDRNENXLZXMGEO-HNNXBMFYSA-N 2 2 317.458 3.171 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666620 547265720 /nfs/dbraw/zinc/26/57/20/547265720.db2.gz SLKSEJYSSFDEDW-BXUZGUMPSA-N 2 2 300.368 3.266 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666620 547265726 /nfs/dbraw/zinc/26/57/26/547265726.db2.gz SLKSEJYSSFDEDW-BXUZGUMPSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666620 547265732 /nfs/dbraw/zinc/26/57/32/547265732.db2.gz SLKSEJYSSFDEDW-BXUZGUMPSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666620 547265739 /nfs/dbraw/zinc/26/57/39/547265739.db2.gz SLKSEJYSSFDEDW-BXUZGUMPSA-N 2 2 300.368 3.266 20 0 DGADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H](CSc3ccccc3)C1)CCC2 ZINC000667677152 547271325 /nfs/dbraw/zinc/27/13/25/547271325.db2.gz KIHJVPUHDHHVKR-OAHLLOKOSA-N 2 2 313.470 3.444 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H](CSc3ccccc3)C1)CCC2 ZINC000667677152 547271329 /nfs/dbraw/zinc/27/13/29/547271329.db2.gz KIHJVPUHDHHVKR-OAHLLOKOSA-N 2 2 313.470 3.444 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1)CC1CC1 ZINC000667757588 547294385 /nfs/dbraw/zinc/29/43/85/547294385.db2.gz FGPRXUDQSXUZGY-UHFFFAOYSA-N 3 2 318.509 3.063 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1)CC1CC1 ZINC000667757588 547294390 /nfs/dbraw/zinc/29/43/90/547294390.db2.gz FGPRXUDQSXUZGY-UHFFFAOYSA-N 3 2 318.509 3.063 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000667821522 547312253 /nfs/dbraw/zinc/31/22/53/547312253.db2.gz GNXYYAJIHSNNDE-UFYCRDLUSA-N 2 2 314.473 3.289 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000667947340 547342669 /nfs/dbraw/zinc/34/26/69/547342669.db2.gz NFCBYQJBWFOBQD-QFBILLFUSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000667947340 547342676 /nfs/dbraw/zinc/34/26/76/547342676.db2.gz NFCBYQJBWFOBQD-QFBILLFUSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(C)c1 ZINC000667947340 547342680 /nfs/dbraw/zinc/34/26/80/547342680.db2.gz NFCBYQJBWFOBQD-QFBILLFUSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(C)c1 ZINC000667947340 547342684 /nfs/dbraw/zinc/34/26/84/547342684.db2.gz NFCBYQJBWFOBQD-QFBILLFUSA-N 2 2 302.462 3.310 20 0 DGADLP Cc1ccc2c(c1)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668052263 547369319 /nfs/dbraw/zinc/36/93/19/547369319.db2.gz LYQRWZCIIWBVDU-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1ccc2c(c1)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668052263 547369323 /nfs/dbraw/zinc/36/93/23/547369323.db2.gz LYQRWZCIIWBVDU-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000668084754 547378155 /nfs/dbraw/zinc/37/81/55/547378155.db2.gz VFWNAGKNBHJRSS-LJQANCHMSA-N 2 2 312.413 3.442 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000668084754 547378158 /nfs/dbraw/zinc/37/81/58/547378158.db2.gz VFWNAGKNBHJRSS-LJQANCHMSA-N 2 2 312.413 3.442 20 0 DGADLP c1c2ccncc2sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000668084409 547378185 /nfs/dbraw/zinc/37/81/85/547378185.db2.gz JRKYRFGPSXDEII-OAHLLOKOSA-N 2 2 311.410 3.345 20 0 DGADLP c1c2ccncc2sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000668084409 547378189 /nfs/dbraw/zinc/37/81/89/547378189.db2.gz JRKYRFGPSXDEII-OAHLLOKOSA-N 2 2 311.410 3.345 20 0 DGADLP Cc1nc2ccccc2n1C1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000668094955 547380736 /nfs/dbraw/zinc/38/07/36/547380736.db2.gz YLQDDUVCMDBIQQ-UHFFFAOYSA-N 2 2 323.444 3.224 20 0 DGADLP FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)CC12CCC2 ZINC000668110863 547387162 /nfs/dbraw/zinc/38/71/62/547387162.db2.gz TXLPWTMSLHKWDW-ZDUSSCGKSA-N 2 2 313.367 3.384 20 0 DGADLP FC(F)(F)[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CCC2 ZINC000668110863 547387166 /nfs/dbraw/zinc/38/71/66/547387166.db2.gz TXLPWTMSLHKWDW-ZDUSSCGKSA-N 2 2 313.367 3.384 20 0 DGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000668159328 547398378 /nfs/dbraw/zinc/39/83/78/547398378.db2.gz RPNPULTTXDLGHL-UHFFFAOYSA-N 2 2 318.440 3.167 20 0 DGADLP Clc1ccc(O[C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668196570 547412209 /nfs/dbraw/zinc/41/22/09/547412209.db2.gz PLQMBXLYZFLHGS-INIZCTEOSA-N 2 2 317.820 3.136 20 0 DGADLP Clc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668196570 547412211 /nfs/dbraw/zinc/41/22/11/547412211.db2.gz PLQMBXLYZFLHGS-INIZCTEOSA-N 2 2 317.820 3.136 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CC(Cc3ccc(C(F)(F)F)cc3)C2)n1C ZINC000668231338 547423756 /nfs/dbraw/zinc/42/37/56/547423756.db2.gz VWBNIKHFJASDKJ-UHFFFAOYSA-N 2 2 323.362 3.422 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)n1C ZINC000668243024 547427649 /nfs/dbraw/zinc/42/76/49/547427649.db2.gz QILUQMSFZRVAGP-GOSISDBHSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)n1C ZINC000668243024 547427652 /nfs/dbraw/zinc/42/76/52/547427652.db2.gz QILUQMSFZRVAGP-GOSISDBHSA-N 2 2 301.409 3.465 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000668287203 547436427 /nfs/dbraw/zinc/43/64/27/547436427.db2.gz YZAUBESBICROTK-QGZVFWFLSA-N 2 2 313.445 3.334 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000668287203 547436430 /nfs/dbraw/zinc/43/64/30/547436430.db2.gz YZAUBESBICROTK-QGZVFWFLSA-N 2 2 313.445 3.334 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1O ZINC000668459323 547459833 /nfs/dbraw/zinc/45/98/33/547459833.db2.gz RTIOGROSJUJMQW-GOEBONIOSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1O ZINC000668459323 547459836 /nfs/dbraw/zinc/45/98/36/547459836.db2.gz RTIOGROSJUJMQW-GOEBONIOSA-N 2 2 320.477 3.184 20 0 DGADLP C[C@@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000668538826 547474477 /nfs/dbraw/zinc/47/44/77/547474477.db2.gz HMXZWYXNPJOBGD-LBPRGKRZSA-N 2 2 300.368 3.302 20 0 DGADLP C[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000668538826 547474480 /nfs/dbraw/zinc/47/44/80/547474480.db2.gz HMXZWYXNPJOBGD-LBPRGKRZSA-N 2 2 300.368 3.302 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+](Cc2ccccc2F)CC2CC2)n1C ZINC000668613624 547494860 /nfs/dbraw/zinc/49/48/60/547494860.db2.gz SMLMASGXOHDSRU-UHFFFAOYSA-N 2 2 316.424 3.037 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+](Cc2ccccc2F)CC2CC2)n1C ZINC000668613624 547494865 /nfs/dbraw/zinc/49/48/65/547494865.db2.gz SMLMASGXOHDSRU-UHFFFAOYSA-N 2 2 316.424 3.037 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000668618416 547495694 /nfs/dbraw/zinc/49/56/94/547495694.db2.gz QXOBHENJYPZXQQ-IAGOWNOFSA-N 2 2 304.478 3.423 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000668793373 547543514 /nfs/dbraw/zinc/54/35/14/547543514.db2.gz YVWKCIZADYNISG-UYAOXDASSA-N 2 2 324.472 3.053 20 0 DGADLP CCc1cccc2cc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)oc21 ZINC000668792228 547543611 /nfs/dbraw/zinc/54/36/11/547543611.db2.gz QDGAFUXECAXYRL-UHFFFAOYSA-N 2 2 324.428 3.051 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694616 547673575 /nfs/dbraw/zinc/67/35/75/547673575.db2.gz DBQZENKSVWHLDL-INIZCTEOSA-N 2 2 310.445 3.302 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694616 547673577 /nfs/dbraw/zinc/67/35/77/547673577.db2.gz DBQZENKSVWHLDL-INIZCTEOSA-N 2 2 310.445 3.302 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000669702455 547675191 /nfs/dbraw/zinc/67/51/91/547675191.db2.gz XRUSQINZQWKESU-HOTGVXAUSA-N 2 2 315.461 3.394 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986316 547767798 /nfs/dbraw/zinc/76/77/98/547767798.db2.gz CGVPXPUPXVGVEQ-RBUKOAKNSA-N 2 2 320.452 3.464 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986316 547767801 /nfs/dbraw/zinc/76/78/01/547767801.db2.gz CGVPXPUPXVGVEQ-RBUKOAKNSA-N 2 2 320.452 3.464 20 0 DGADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985597 547767943 /nfs/dbraw/zinc/76/79/43/547767943.db2.gz FFWRPCRXQIYUKE-IEBWSBKVSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985597 547767947 /nfs/dbraw/zinc/76/79/47/547767947.db2.gz FFWRPCRXQIYUKE-IEBWSBKVSA-N 2 2 302.462 3.243 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000675102328 548152463 /nfs/dbraw/zinc/15/24/63/548152463.db2.gz WHVDNQLDPPGKQH-DOTOQJQBSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000675102328 548152466 /nfs/dbraw/zinc/15/24/66/548152466.db2.gz WHVDNQLDPPGKQH-DOTOQJQBSA-N 2 2 320.440 3.316 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000675247485 548179259 /nfs/dbraw/zinc/17/92/59/548179259.db2.gz PAVYKZOEILMTHI-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000675247485 548179264 /nfs/dbraw/zinc/17/92/64/548179264.db2.gz PAVYKZOEILMTHI-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP Clc1cccc2c1OC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000675754231 548265428 /nfs/dbraw/zinc/26/54/28/548265428.db2.gz PYRSKNOTUPGWGZ-INIZCTEOSA-N 2 2 306.837 3.238 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000675919353 548291798 /nfs/dbraw/zinc/29/17/98/548291798.db2.gz HQXJTSWHARNJGV-CRAIPNDOSA-N 2 2 323.444 3.271 20 0 DGADLP CCCC[C@@H](COC)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923864 548292539 /nfs/dbraw/zinc/29/25/39/548292539.db2.gz UWEMJWVMKYJYPB-ROUUACIJSA-N 2 2 315.461 3.499 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000675929593 548294449 /nfs/dbraw/zinc/29/44/49/548294449.db2.gz TWKSVQZKJUBSGA-LJQANCHMSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000677129727 548456919 /nfs/dbraw/zinc/45/69/19/548456919.db2.gz NRYQFJDJEJDGHG-JCGVRSQUSA-N 2 2 324.415 3.041 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000677129727 548456923 /nfs/dbraw/zinc/45/69/23/548456923.db2.gz NRYQFJDJEJDGHG-JCGVRSQUSA-N 2 2 324.415 3.041 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677749031 548549172 /nfs/dbraw/zinc/54/91/72/548549172.db2.gz GZEGHOSCRTTZHK-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000677749031 548549177 /nfs/dbraw/zinc/54/91/77/548549177.db2.gz GZEGHOSCRTTZHK-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749604 548550826 /nfs/dbraw/zinc/55/08/26/548550826.db2.gz KWWYDYYADQOMRI-QZTJIDSGSA-N 2 2 304.478 3.300 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749604 548550829 /nfs/dbraw/zinc/55/08/29/548550829.db2.gz KWWYDYYADQOMRI-QZTJIDSGSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000678073256 548607393 /nfs/dbraw/zinc/60/73/93/548607393.db2.gz OWVUZPMTIBVTGY-DOMZBBRYSA-N 2 2 311.267 3.236 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000678073256 548607395 /nfs/dbraw/zinc/60/73/95/548607395.db2.gz OWVUZPMTIBVTGY-DOMZBBRYSA-N 2 2 311.267 3.236 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000678073259 548607444 /nfs/dbraw/zinc/60/74/44/548607444.db2.gz OWVUZPMTIBVTGY-WFASDCNBSA-N 2 2 311.267 3.236 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000678073259 548607448 /nfs/dbraw/zinc/60/74/48/548607448.db2.gz OWVUZPMTIBVTGY-WFASDCNBSA-N 2 2 311.267 3.236 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000678265148 548661084 /nfs/dbraw/zinc/66/10/84/548661084.db2.gz YHPOOZPCIWLQFY-DOTOQJQBSA-N 2 2 320.477 3.256 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000678265148 548661087 /nfs/dbraw/zinc/66/10/87/548661087.db2.gz YHPOOZPCIWLQFY-DOTOQJQBSA-N 2 2 320.477 3.256 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678340621 548683329 /nfs/dbraw/zinc/68/33/29/548683329.db2.gz YSJQXCGOWCLCRP-AUUYWEPGSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678340621 548683332 /nfs/dbraw/zinc/68/33/32/548683332.db2.gz YSJQXCGOWCLCRP-AUUYWEPGSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678340621 548683334 /nfs/dbraw/zinc/68/33/34/548683334.db2.gz YSJQXCGOWCLCRP-AUUYWEPGSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678340621 548683338 /nfs/dbraw/zinc/68/33/38/548683338.db2.gz YSJQXCGOWCLCRP-AUUYWEPGSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361902 548688605 /nfs/dbraw/zinc/68/86/05/548688605.db2.gz NXIMXKCKLPRJSG-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361902 548688609 /nfs/dbraw/zinc/68/86/09/548688609.db2.gz NXIMXKCKLPRJSG-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H](O)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592619 548735595 /nfs/dbraw/zinc/73/55/95/548735595.db2.gz UNDTWODCSWNQLV-ROUUACIJSA-N 2 2 304.478 3.180 20 0 DGADLP CC[C@H](O)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592619 548735598 /nfs/dbraw/zinc/73/55/98/548735598.db2.gz UNDTWODCSWNQLV-ROUUACIJSA-N 2 2 304.478 3.180 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)C12CCC2 ZINC000678926828 548794574 /nfs/dbraw/zinc/79/45/74/548794574.db2.gz MIZCVBFMEXRWPV-DLBZAZTESA-N 2 2 313.445 3.123 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000678946152 548798901 /nfs/dbraw/zinc/79/89/01/548798901.db2.gz KYXARRVRTMDCFB-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000678946152 548798903 /nfs/dbraw/zinc/79/89/03/548798903.db2.gz KYXARRVRTMDCFB-ROUUACIJSA-N 2 2 302.462 3.198 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)[nH]1 ZINC000678971089 548802904 /nfs/dbraw/zinc/80/29/04/548802904.db2.gz FTECFOQXJNRTNH-GFCCVEGCSA-N 2 2 302.447 3.125 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)[nH]1 ZINC000678971089 548802908 /nfs/dbraw/zinc/80/29/08/548802908.db2.gz FTECFOQXJNRTNH-GFCCVEGCSA-N 2 2 302.447 3.125 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000678992737 548809509 /nfs/dbraw/zinc/80/95/09/548809509.db2.gz OKRDZQKOLWTIIC-OAHLLOKOSA-N 2 2 319.518 3.330 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000678992737 548809517 /nfs/dbraw/zinc/80/95/17/548809517.db2.gz OKRDZQKOLWTIIC-OAHLLOKOSA-N 2 2 319.518 3.330 20 0 DGADLP C[C@@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042653 548822492 /nfs/dbraw/zinc/82/24/92/548822492.db2.gz CDAWTICYMIQXBB-YLJYHZDGSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042653 548822495 /nfs/dbraw/zinc/82/24/95/548822495.db2.gz CDAWTICYMIQXBB-YLJYHZDGSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679072663 548826845 /nfs/dbraw/zinc/82/68/45/548826845.db2.gz BVDOVNNWUHLDMC-FMKPAKJESA-N 2 2 309.404 3.069 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679072663 548826846 /nfs/dbraw/zinc/82/68/46/548826846.db2.gz BVDOVNNWUHLDMC-FMKPAKJESA-N 2 2 309.404 3.069 20 0 DGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679217249 548847839 /nfs/dbraw/zinc/84/78/39/548847839.db2.gz WUEZILNJIADIOC-AWEZNQCLSA-N 2 2 308.385 3.106 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)C(C)(C)C ZINC000679367914 548886869 /nfs/dbraw/zinc/88/68/69/548886869.db2.gz ASUTYQBKDVTCSM-HNNXBMFYSA-N 2 2 307.413 3.423 20 0 DGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679625475 548925228 /nfs/dbraw/zinc/92/52/28/548925228.db2.gz AUBRGOXXODXDCU-NHYWBVRUSA-N 2 2 314.857 3.177 20 0 DGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679625475 548925231 /nfs/dbraw/zinc/92/52/31/548925231.db2.gz AUBRGOXXODXDCU-NHYWBVRUSA-N 2 2 314.857 3.177 20 0 DGADLP Cc1cccn2cc(CCNc3nc(C)[nH+]c4c3CCCC4)[nH+]c12 ZINC000679838709 548955093 /nfs/dbraw/zinc/95/50/93/548955093.db2.gz HFWAXDLXOWSNPE-UHFFFAOYSA-N 2 2 321.428 3.275 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000679924620 548963790 /nfs/dbraw/zinc/96/37/90/548963790.db2.gz QBFKJHFIEQNITK-UHFFFAOYSA-N 2 2 312.461 3.150 20 0 DGADLP COc1cccc(CC2CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000680078426 548994854 /nfs/dbraw/zinc/99/48/54/548994854.db2.gz KQEPSZOBQYYMHA-UHFFFAOYSA-N 2 2 313.445 3.155 20 0 DGADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)(C)CO1 ZINC000680329331 549029865 /nfs/dbraw/zinc/02/98/65/549029865.db2.gz PRVCJYISAGTFGX-UHFFFAOYSA-N 2 2 305.447 3.323 20 0 DGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C(C)(C)CO1 ZINC000680329331 549029866 /nfs/dbraw/zinc/02/98/66/549029866.db2.gz PRVCJYISAGTFGX-UHFFFAOYSA-N 2 2 305.447 3.323 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000680673193 549084194 /nfs/dbraw/zinc/08/41/94/549084194.db2.gz IBUSSKOORXIDHK-YOEHRIQHSA-N 2 2 320.452 3.087 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000680673193 549084198 /nfs/dbraw/zinc/08/41/98/549084198.db2.gz IBUSSKOORXIDHK-YOEHRIQHSA-N 2 2 320.452 3.087 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000680673190 549084243 /nfs/dbraw/zinc/08/42/43/549084243.db2.gz IBUSSKOORXIDHK-PBHICJAKSA-N 2 2 320.452 3.087 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000680673190 549084246 /nfs/dbraw/zinc/08/42/46/549084246.db2.gz IBUSSKOORXIDHK-PBHICJAKSA-N 2 2 320.452 3.087 20 0 DGADLP COc1cccc2c(N3CCC[C@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000681978920 549271820 /nfs/dbraw/zinc/27/18/20/549271820.db2.gz OSENDPXZLWMIKG-AWEZNQCLSA-N 2 2 308.385 3.281 20 0 DGADLP c1c[nH+]c([C@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2ccccc2)[nH]1 ZINC000682139378 549295699 /nfs/dbraw/zinc/29/56/99/549295699.db2.gz SWRXSJNPYFLPPD-QGZVFWFLSA-N 2 2 316.368 3.192 20 0 DGADLP Cc1ncc([C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439594 549323228 /nfs/dbraw/zinc/32/32/28/549323228.db2.gz VMELRRQBFHMWON-DOTOQJQBSA-N 2 2 302.466 3.105 20 0 DGADLP Cc1ncc([C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439594 549323233 /nfs/dbraw/zinc/32/32/33/549323233.db2.gz VMELRRQBFHMWON-DOTOQJQBSA-N 2 2 302.466 3.105 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000683006762 549413289 /nfs/dbraw/zinc/41/32/89/549413289.db2.gz SCNUMVMGISYPMV-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000683006762 549413291 /nfs/dbraw/zinc/41/32/91/549413291.db2.gz SCNUMVMGISYPMV-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000684382459 549624097 /nfs/dbraw/zinc/62/40/97/549624097.db2.gz PSNREFMQVGJXBI-KSZLIROESA-N 2 2 313.445 3.251 20 0 DGADLP C[NH+](C)C1(CNc2nc(N3CCCC3)cc[nH+]2)CCCCCC1 ZINC000733185898 574605107 /nfs/dbraw/zinc/60/51/07/574605107.db2.gz ZJQAAHIWTDKABF-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cn3ccc(-c4ccsc4)n3)C2)c[nH+]1 ZINC000738159246 574860087 /nfs/dbraw/zinc/86/00/87/574860087.db2.gz RHPIZOKYOMUHCJ-HNNXBMFYSA-N 2 2 313.430 3.103 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cn3ccc(-c4ccsc4)n3)C2)c[nH+]1 ZINC000738159246 574860089 /nfs/dbraw/zinc/86/00/89/574860089.db2.gz RHPIZOKYOMUHCJ-HNNXBMFYSA-N 2 2 313.430 3.103 20 0 DGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000742718313 575014507 /nfs/dbraw/zinc/01/45/07/575014507.db2.gz VUNRZHHXEYFDFZ-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP O=C(CCCC[NH+]1CCCC1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000729303139 575232861 /nfs/dbraw/zinc/23/28/61/575232861.db2.gz ILUWWIXYYOBXSW-UHFFFAOYSA-N 2 2 312.417 3.281 20 0 DGADLP Clc1ncccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000729678478 575260095 /nfs/dbraw/zinc/26/00/95/575260095.db2.gz ILNHVZPHPHVBAJ-UHFFFAOYSA-N 2 2 312.804 3.270 20 0 DGADLP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984283 575426119 /nfs/dbraw/zinc/42/61/19/575426119.db2.gz HLKJYKUAZLWUEL-OAHLLOKOSA-N 2 2 320.481 3.064 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670228 575468845 /nfs/dbraw/zinc/46/88/45/575468845.db2.gz YCMOTQUUOFQCGQ-CRAIPNDOSA-N 2 2 322.880 3.037 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670228 575468849 /nfs/dbraw/zinc/46/88/49/575468849.db2.gz YCMOTQUUOFQCGQ-CRAIPNDOSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670228 575468852 /nfs/dbraw/zinc/46/88/52/575468852.db2.gz YCMOTQUUOFQCGQ-CRAIPNDOSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670228 575468857 /nfs/dbraw/zinc/46/88/57/575468857.db2.gz YCMOTQUUOFQCGQ-CRAIPNDOSA-N 2 2 322.880 3.037 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)s1 ZINC000750824910 575753852 /nfs/dbraw/zinc/75/38/52/575753852.db2.gz DDEYLBONOQLDIQ-MLGOLLRUSA-N 2 2 323.506 3.054 20 0 DGADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000727647228 576136337 /nfs/dbraw/zinc/13/63/37/576136337.db2.gz WRALJBFSKGIVCY-UHFFFAOYSA-N 2 2 309.373 3.001 20 0 DGADLP c1csc([C@H](CNc2nccn3c[nH+]cc23)[NH+]2CCCC2)c1 ZINC000891503836 617817132 /nfs/dbraw/zinc/81/71/32/617817132.db2.gz LWMQOZOEQGACQN-ZDUSSCGKSA-N 2 2 313.430 3.040 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133036 617970648 /nfs/dbraw/zinc/97/06/48/617970648.db2.gz FJGPMVMEOPKSQH-SFHVURJKSA-N 2 2 303.494 3.444 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133036 617970652 /nfs/dbraw/zinc/97/06/52/617970652.db2.gz FJGPMVMEOPKSQH-SFHVURJKSA-N 2 2 303.494 3.444 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133036 617970655 /nfs/dbraw/zinc/97/06/55/617970655.db2.gz FJGPMVMEOPKSQH-SFHVURJKSA-N 2 2 303.494 3.444 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892133036 617970659 /nfs/dbraw/zinc/97/06/59/617970659.db2.gz FJGPMVMEOPKSQH-SFHVURJKSA-N 2 2 303.494 3.444 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000892142307 617974145 /nfs/dbraw/zinc/97/41/45/617974145.db2.gz CXXXVKWHORTFPD-IBGZPJMESA-N 2 2 315.505 3.444 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000892142307 617974147 /nfs/dbraw/zinc/97/41/47/617974147.db2.gz CXXXVKWHORTFPD-IBGZPJMESA-N 2 2 315.505 3.444 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000892142307 617974149 /nfs/dbraw/zinc/97/41/49/617974149.db2.gz CXXXVKWHORTFPD-IBGZPJMESA-N 2 2 315.505 3.444 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000892142307 617974150 /nfs/dbraw/zinc/97/41/50/617974150.db2.gz CXXXVKWHORTFPD-IBGZPJMESA-N 2 2 315.505 3.444 20 0 DGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496886 618033053 /nfs/dbraw/zinc/03/30/53/618033053.db2.gz PEIAFQJEOUGSEG-LAQFHYBYSA-N 2 2 319.836 3.286 20 0 DGADLP FC(F)OC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926543320 618044052 /nfs/dbraw/zinc/04/40/52/618044052.db2.gz KQNOTSWZTVCPGK-WUCCLRPBSA-N 2 2 302.409 3.143 20 0 DGADLP FC(F)OC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926543320 618044057 /nfs/dbraw/zinc/04/40/57/618044057.db2.gz KQNOTSWZTVCPGK-WUCCLRPBSA-N 2 2 302.409 3.143 20 0 DGADLP Cc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cnc1F ZINC000892462367 618071424 /nfs/dbraw/zinc/07/14/24/618071424.db2.gz OXEIFSYXRYZPHJ-UHFFFAOYSA-N 2 2 301.409 3.141 20 0 DGADLP Cc1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cnc1F ZINC000892462367 618071426 /nfs/dbraw/zinc/07/14/26/618071426.db2.gz OXEIFSYXRYZPHJ-UHFFFAOYSA-N 2 2 301.409 3.141 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000892721393 618148199 /nfs/dbraw/zinc/14/81/99/618148199.db2.gz MMLLEKCVRWNSHK-HNNXBMFYSA-N 2 2 302.466 3.221 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000892721393 618148202 /nfs/dbraw/zinc/14/82/02/618148202.db2.gz MMLLEKCVRWNSHK-HNNXBMFYSA-N 2 2 302.466 3.221 20 0 DGADLP CC(C)CC[NH+]1CCC(NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000924604506 618309698 /nfs/dbraw/zinc/30/96/98/618309698.db2.gz ULFQPYBCBNPCFZ-SFHVURJKSA-N 2 2 323.550 3.451 20 0 DGADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892937222 618358524 /nfs/dbraw/zinc/35/85/24/618358524.db2.gz BHMIPTUEMXWXSD-UHFFFAOYSA-N 2 2 318.490 3.403 20 0 DGADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892937222 618358534 /nfs/dbraw/zinc/35/85/34/618358534.db2.gz BHMIPTUEMXWXSD-UHFFFAOYSA-N 2 2 318.490 3.403 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOC2(CCC2)C1 ZINC000926875184 618364669 /nfs/dbraw/zinc/36/46/69/618364669.db2.gz ARWZQDCUOMXAEY-SQNIBIBYSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCOC2(CCC2)C1 ZINC000926875184 618364676 /nfs/dbraw/zinc/36/46/76/618364676.db2.gz ARWZQDCUOMXAEY-SQNIBIBYSA-N 2 2 306.494 3.332 20 0 DGADLP Cc1n[nH]c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000894747538 618443304 /nfs/dbraw/zinc/44/33/04/618443304.db2.gz KEWIKZYLZCSJPR-FQEVSTJZSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1n[nH]c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000894747538 618443309 /nfs/dbraw/zinc/44/33/09/618443309.db2.gz KEWIKZYLZCSJPR-FQEVSTJZSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1n[nH]c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747538 618443312 /nfs/dbraw/zinc/44/33/12/618443312.db2.gz KEWIKZYLZCSJPR-FQEVSTJZSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1n[nH]c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747538 618443318 /nfs/dbraw/zinc/44/33/18/618443318.db2.gz KEWIKZYLZCSJPR-FQEVSTJZSA-N 2 2 324.472 3.125 20 0 DGADLP Clc1nccc2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)sc21 ZINC000894793803 618462378 /nfs/dbraw/zinc/46/23/78/618462378.db2.gz JBFRQDYQRQOCTM-JTQLQIEISA-N 2 2 318.833 3.320 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1 ZINC000925528813 618472027 /nfs/dbraw/zinc/47/20/27/618472027.db2.gz AYTCNXVPEIZUSL-SJKOYZFVSA-N 2 2 306.356 3.022 20 0 DGADLP C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000893200189 618472935 /nfs/dbraw/zinc/47/29/35/618472935.db2.gz QWXDVBRPNXYLDZ-NSHDSACASA-N 2 2 322.865 3.262 20 0 DGADLP COCc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000925098112 618493930 /nfs/dbraw/zinc/49/39/30/618493930.db2.gz RJRCBTQDFMIUQD-MSOLQXFVSA-N 2 2 306.425 3.079 20 0 DGADLP COCc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000925098112 618493933 /nfs/dbraw/zinc/49/39/33/618493933.db2.gz RJRCBTQDFMIUQD-MSOLQXFVSA-N 2 2 306.425 3.079 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c2ccccc2n1 ZINC000925622317 618512391 /nfs/dbraw/zinc/51/23/91/618512391.db2.gz JPJVVTOFXRYUDC-QGZVFWFLSA-N 2 2 311.429 3.008 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c2ccccc2n1 ZINC000925622316 618512549 /nfs/dbraw/zinc/51/25/49/618512549.db2.gz JPJVVTOFXRYUDC-KRWDZBQOSA-N 2 2 311.429 3.008 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925671563 618525487 /nfs/dbraw/zinc/52/54/87/618525487.db2.gz DKZZKMWLMPAVOT-CSMYWGQOSA-N 2 2 304.821 3.052 20 0 DGADLP CC[C@@H]1C[C@H](CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110404 618539523 /nfs/dbraw/zinc/53/95/23/618539523.db2.gz KXXVTOXNNLSDLY-BRSBDYLESA-N 2 2 317.477 3.363 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc3c(c2)CCO3)c2cccc[nH+]2)CC1 ZINC000895111137 618539954 /nfs/dbraw/zinc/53/99/54/618539954.db2.gz NJJUUIKMZSKYSU-IYARVYRRSA-N 2 2 323.440 3.293 20 0 DGADLP CO[C@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895111216 618540002 /nfs/dbraw/zinc/54/00/02/618540002.db2.gz CBGLFKMTDXUNJQ-QAETUUGQSA-N 2 2 303.450 3.116 20 0 DGADLP CO[C@H](CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)C1CCCC1 ZINC000895114315 618541245 /nfs/dbraw/zinc/54/12/45/618541245.db2.gz LPHDALCBQZPAGV-KZNAEPCWSA-N 2 2 317.477 3.363 20 0 DGADLP C[C@H]1CC2(CC(N(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)C2)CO1 ZINC000895131472 618546526 /nfs/dbraw/zinc/54/65/26/618546526.db2.gz IMVYGOVBAXGKMV-XDDPWVMSSA-N 2 2 315.461 3.116 20 0 DGADLP CO[C@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C12CCC2 ZINC000895132695 618546585 /nfs/dbraw/zinc/54/65/85/618546585.db2.gz YOUQLJWIGPITBO-QAETUUGQSA-N 2 2 315.461 3.116 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000893412738 618551250 /nfs/dbraw/zinc/55/12/50/618551250.db2.gz PJOZBVVIGFZGJX-WBVHZDCISA-N 2 2 314.429 3.288 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000893412738 618551252 /nfs/dbraw/zinc/55/12/52/618551252.db2.gz PJOZBVVIGFZGJX-WBVHZDCISA-N 2 2 314.429 3.288 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925793315 618620862 /nfs/dbraw/zinc/62/08/62/618620862.db2.gz IDRFKMTVLLDOKC-SJLPKXTDSA-N 2 2 302.462 3.113 20 0 DGADLP FC(F)COc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000893966211 618684210 /nfs/dbraw/zinc/68/42/10/618684210.db2.gz JVTFAEBREYCGEV-AWEZNQCLSA-N 2 2 321.371 3.433 20 0 DGADLP FC(F)COc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000893966211 618684211 /nfs/dbraw/zinc/68/42/11/618684211.db2.gz JVTFAEBREYCGEV-AWEZNQCLSA-N 2 2 321.371 3.433 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000893977480 618686233 /nfs/dbraw/zinc/68/62/33/618686233.db2.gz DBFHVDVFBLMCLB-SJORKVTESA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000893977480 618686235 /nfs/dbraw/zinc/68/62/35/618686235.db2.gz DBFHVDVFBLMCLB-SJORKVTESA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893977480 618686237 /nfs/dbraw/zinc/68/62/37/618686237.db2.gz DBFHVDVFBLMCLB-SJORKVTESA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893977480 618686241 /nfs/dbraw/zinc/68/62/41/618686241.db2.gz DBFHVDVFBLMCLB-SJORKVTESA-N 2 2 316.493 3.059 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375746 618776195 /nfs/dbraw/zinc/77/61/95/618776195.db2.gz DHHNELSPIZGQGN-NVXWUHKLSA-N 2 2 306.498 3.190 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375746 618776197 /nfs/dbraw/zinc/77/61/97/618776197.db2.gz DHHNELSPIZGQGN-NVXWUHKLSA-N 2 2 306.498 3.190 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000895508060 618792373 /nfs/dbraw/zinc/79/23/73/618792373.db2.gz DHWGHWOINZYYQM-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccnn1C1CCC1 ZINC000895508060 618792374 /nfs/dbraw/zinc/79/23/74/618792374.db2.gz DHWGHWOINZYYQM-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000896024911 618862205 /nfs/dbraw/zinc/86/22/05/618862205.db2.gz BHOUFJJMDCIEGM-UHFFFAOYSA-N 2 2 304.482 3.141 20 0 DGADLP Clc1cccc2c1[C@H]([NH2+]C[C@H]1CCCn3cc[nH+]c31)COC2 ZINC000925168973 619064462 /nfs/dbraw/zinc/06/44/62/619064462.db2.gz JASASMHCRUDWRF-IUODEOHRSA-N 2 2 317.820 3.275 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000897454523 619129868 /nfs/dbraw/zinc/12/98/68/619129868.db2.gz GEOSJWWMPYIIJC-UHFFFAOYSA-N 2 2 313.445 3.415 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000898033779 619208501 /nfs/dbraw/zinc/20/85/01/619208501.db2.gz CAKBFIDYHMKPPG-AEFFLSMTSA-N 2 2 301.478 3.429 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000898033779 619208503 /nfs/dbraw/zinc/20/85/03/619208503.db2.gz CAKBFIDYHMKPPG-AEFFLSMTSA-N 2 2 301.478 3.429 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)O1 ZINC000926904664 619246774 /nfs/dbraw/zinc/24/67/74/619246774.db2.gz IAJYQJXOKMNSNK-QPSCCSFWSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)O1 ZINC000926904664 619246775 /nfs/dbraw/zinc/24/67/75/619246775.db2.gz IAJYQJXOKMNSNK-QPSCCSFWSA-N 2 2 320.399 3.093 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924624571 619246915 /nfs/dbraw/zinc/24/69/15/619246915.db2.gz LXZCGPRKWBACLP-RBUKOAKNSA-N 2 2 313.445 3.082 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)O1 ZINC000926917767 619248691 /nfs/dbraw/zinc/24/86/91/619248691.db2.gz XKOYSXPBIBHLKP-TUVASFSCSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)O1 ZINC000926917767 619248693 /nfs/dbraw/zinc/24/86/93/619248693.db2.gz XKOYSXPBIBHLKP-TUVASFSCSA-N 2 2 320.399 3.093 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Br)CC1 ZINC000924727489 619268249 /nfs/dbraw/zinc/26/82/49/619268249.db2.gz APXOIKFESRJJNC-NEPJUHHUSA-N 2 2 314.271 3.203 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)cc(F)c1 ZINC000924730141 619268675 /nfs/dbraw/zinc/26/86/75/619268675.db2.gz OZRWJURSYIKYTG-BLLLJJGKSA-N 2 2 305.397 3.493 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1F ZINC000902438911 619636185 /nfs/dbraw/zinc/63/61/85/619636185.db2.gz OGHQUSLAKFQKIJ-LIXBPZJASA-N 2 2 300.377 3.110 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902441139 619636482 /nfs/dbraw/zinc/63/64/82/619636482.db2.gz CIEJFGIRERLLCR-VHKYSDTDSA-N 2 2 310.441 3.231 20 0 DGADLP COc1cccc(-c2cc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])on2)c1 ZINC000902455694 619640370 /nfs/dbraw/zinc/64/03/70/619640370.db2.gz YENFXZDZEKVAFH-IAGOWNOFSA-N 2 2 315.417 3.100 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902465733 619641646 /nfs/dbraw/zinc/64/16/46/619641646.db2.gz IUKMBNLLYCCJTN-LXTVHRRPSA-N 2 2 321.262 3.227 20 0 DGADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902483579 619645764 /nfs/dbraw/zinc/64/57/64/619645764.db2.gz RVXWNUGXOWXBQZ-NEWSRXKRSA-N 2 2 302.462 3.276 20 0 DGADLP COC(=O)c1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000902758924 619671508 /nfs/dbraw/zinc/67/15/08/619671508.db2.gz LHHPDXJGYHCJFA-OAHLLOKOSA-N 2 2 315.417 3.109 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cn1 ZINC000902759175 619671521 /nfs/dbraw/zinc/67/15/21/619671521.db2.gz QOQNODVEHFSUNR-LBPRGKRZSA-N 2 2 312.339 3.428 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(-n2ccnc2)c1 ZINC000902759446 619671571 /nfs/dbraw/zinc/67/15/71/619671571.db2.gz XPOWJNWUSSEKTR-INIZCTEOSA-N 2 2 309.417 3.200 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(-n2ccnc2)c1 ZINC000902759447 619671575 /nfs/dbraw/zinc/67/15/75/619671575.db2.gz XPOWJNWUSSEKTR-MRXNPFEDSA-N 2 2 309.417 3.200 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902873386 619685223 /nfs/dbraw/zinc/68/52/23/619685223.db2.gz ZNXZQCOJLOFLIP-LSDHHAIUSA-N 2 2 301.434 3.320 20 0 DGADLP CO[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000902910340 619692471 /nfs/dbraw/zinc/69/24/71/619692471.db2.gz HXGZAAWVMZFMKC-FZMZJTMJSA-N 2 2 313.323 3.100 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cn1 ZINC000902992782 619700756 /nfs/dbraw/zinc/70/07/56/619700756.db2.gz MPAXJBCEQVYTSZ-ONGXEEELSA-N 2 2 310.323 3.032 20 0 DGADLP COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000903058198 619707181 /nfs/dbraw/zinc/70/71/81/619707181.db2.gz HOTLSPABWGOBFC-OAHLLOKOSA-N 2 2 308.853 3.410 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)nc1 ZINC000903338463 619760289 /nfs/dbraw/zinc/76/02/89/619760289.db2.gz ICRCKSFADVRKOP-IBGZPJMESA-N 2 2 308.429 3.186 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903376778 619767836 /nfs/dbraw/zinc/76/78/36/619767836.db2.gz GUYJXQFFRJMPSH-DLBZAZTESA-N 2 2 307.482 3.115 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903376780 619767899 /nfs/dbraw/zinc/76/78/99/619767899.db2.gz GUYJXQFFRJMPSH-IRXDYDNUSA-N 2 2 307.482 3.115 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C[C@H]1OC ZINC000903381268 619768671 /nfs/dbraw/zinc/76/86/71/619768671.db2.gz UMIRAKHFTZVGAJ-RCCFBDPRSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@@H](Cc1cccs1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385745 619770045 /nfs/dbraw/zinc/77/00/45/619770045.db2.gz ZLYRNIURLAWTTM-WMLDXEAASA-N 2 2 303.475 3.357 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)co1 ZINC000903810519 619817950 /nfs/dbraw/zinc/81/79/50/619817950.db2.gz DCJXBWKYDDZMOO-HNNXBMFYSA-N 2 2 305.466 3.456 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)co1 ZINC000903810519 619817952 /nfs/dbraw/zinc/81/79/52/619817952.db2.gz DCJXBWKYDDZMOO-HNNXBMFYSA-N 2 2 305.466 3.456 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000903847106 619823439 /nfs/dbraw/zinc/82/34/39/619823439.db2.gz SVOAPEYREAHPGI-BIMULSAOSA-N 2 2 316.779 3.253 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000903847106 619823441 /nfs/dbraw/zinc/82/34/41/619823441.db2.gz SVOAPEYREAHPGI-BIMULSAOSA-N 2 2 316.779 3.253 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)C[C@H]([NH3+])CC(F)F ZINC000903883259 619827757 /nfs/dbraw/zinc/82/77/57/619827757.db2.gz GTSNOFYUNHCWPX-GFCCVEGCSA-N 2 2 321.209 3.254 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)C[C@H]([NH3+])CC(F)F ZINC000903883259 619827758 /nfs/dbraw/zinc/82/77/58/619827758.db2.gz GTSNOFYUNHCWPX-GFCCVEGCSA-N 2 2 321.209 3.254 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000903903359 619831711 /nfs/dbraw/zinc/83/17/11/619831711.db2.gz IUPMHTXSTQTTOV-ZDUSSCGKSA-N 2 2 318.358 3.202 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918040 619838614 /nfs/dbraw/zinc/83/86/14/619838614.db2.gz QSLZMNQUHKIZTF-NRFANRHFSA-N 3 2 323.484 3.245 20 0 DGADLP CCC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000903946267 619843222 /nfs/dbraw/zinc/84/32/22/619843222.db2.gz MXPFDTAVFZDVFR-UHFFFAOYSA-N 2 2 320.387 3.058 20 0 DGADLP CCC1([NH3+])CC[NH+](Cc2cccc(OC)c2OC(C)C)CC1 ZINC000903947232 619843893 /nfs/dbraw/zinc/84/38/93/619843893.db2.gz OWZYPIARNNRRQM-UHFFFAOYSA-N 2 2 306.450 3.186 20 0 DGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)s1 ZINC000903972755 619847588 /nfs/dbraw/zinc/84/75/88/619847588.db2.gz LATLQMXFAODZQF-AWEZNQCLSA-N 2 2 322.518 3.294 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000904460953 619924009 /nfs/dbraw/zinc/92/40/09/619924009.db2.gz CCRBWHSPOWMSBG-SJLPKXTDSA-N 2 2 318.367 3.045 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)o1 ZINC000906526681 620102738 /nfs/dbraw/zinc/10/27/38/620102738.db2.gz JGGJCIIEGJRSLW-QZTJIDSGSA-N 2 2 311.429 3.448 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)o1 ZINC000906526681 620102740 /nfs/dbraw/zinc/10/27/40/620102740.db2.gz JGGJCIIEGJRSLW-QZTJIDSGSA-N 2 2 311.429 3.448 20 0 DGADLP OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924807619 620103763 /nfs/dbraw/zinc/10/37/63/620103763.db2.gz NLRZFWGXQNLRAM-IEBWSBKVSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(C2CCC2)c1 ZINC000924844469 620373329 /nfs/dbraw/zinc/37/33/29/620373329.db2.gz UMRTYRIBBFKBOO-CQSZACIVSA-N 2 2 302.466 3.276 20 0 DGADLP CSCC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000151101973 620423524 /nfs/dbraw/zinc/42/35/24/620423524.db2.gz QRDQJJAOTZWSID-OAHLLOKOSA-N 2 2 321.534 3.453 20 0 DGADLP S=c1oc2ccccc2n1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000152076820 620490628 /nfs/dbraw/zinc/49/06/28/620490628.db2.gz DGKJLOQSYGLFOV-UHFFFAOYSA-N 2 2 314.414 3.455 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc3c2OCC3)c[nH+]1 ZINC000921517159 620896051 /nfs/dbraw/zinc/89/60/51/620896051.db2.gz JVCUARBICMEKLW-UHFFFAOYSA-N 2 2 319.408 3.156 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000858115759 621154375 /nfs/dbraw/zinc/15/43/75/621154375.db2.gz KQUFSUCGEFXTLF-IBGZPJMESA-N 3 2 321.553 3.494 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000858115759 621154378 /nfs/dbraw/zinc/15/43/78/621154378.db2.gz KQUFSUCGEFXTLF-IBGZPJMESA-N 3 2 321.553 3.494 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858245993 621167779 /nfs/dbraw/zinc/16/77/79/621167779.db2.gz ZYPNTHWNXMRSNU-ZDUSSCGKSA-N 2 2 312.889 3.018 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858245993 621167781 /nfs/dbraw/zinc/16/77/81/621167781.db2.gz ZYPNTHWNXMRSNU-ZDUSSCGKSA-N 2 2 312.889 3.018 20 0 DGADLP CCC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000753732502 621462557 /nfs/dbraw/zinc/46/25/57/621462557.db2.gz MLALNTKFUXUPJQ-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000753732502 621462559 /nfs/dbraw/zinc/46/25/59/621462559.db2.gz MLALNTKFUXUPJQ-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000753732502 621462561 /nfs/dbraw/zinc/46/25/61/621462561.db2.gz MLALNTKFUXUPJQ-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000753732502 621462562 /nfs/dbraw/zinc/46/25/62/621462562.db2.gz MLALNTKFUXUPJQ-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP c1cncc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2)c1 ZINC000863643940 621692852 /nfs/dbraw/zinc/69/28/52/621692852.db2.gz CVQQYYUDBQLOQU-IBGZPJMESA-N 2 2 323.440 3.035 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000863654574 621694216 /nfs/dbraw/zinc/69/42/16/621694216.db2.gz ZITRHKIXFQVGPN-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000863654574 621694217 /nfs/dbraw/zinc/69/42/17/621694217.db2.gz ZITRHKIXFQVGPN-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848274 621896429 /nfs/dbraw/zinc/89/64/29/621896429.db2.gz AKVYEHIGHCEQTN-SWLSCSKDSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848274 621896431 /nfs/dbraw/zinc/89/64/31/621896431.db2.gz AKVYEHIGHCEQTN-SWLSCSKDSA-N 2 2 323.799 3.115 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000865425486 621917386 /nfs/dbraw/zinc/91/73/86/621917386.db2.gz MSPUSNPPJHBPLW-CQSZACIVSA-N 2 2 308.376 3.420 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660669 621973024 /nfs/dbraw/zinc/97/30/24/621973024.db2.gz QKKQZVOTWHDJIN-FUHWJXTLSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660669 621973027 /nfs/dbraw/zinc/97/30/27/621973027.db2.gz QKKQZVOTWHDJIN-FUHWJXTLSA-N 2 2 324.472 3.076 20 0 DGADLP FC(F)(F)c1c[nH+]ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000865735070 621986067 /nfs/dbraw/zinc/98/60/67/621986067.db2.gz BXKMUPAOARDAHR-GFCCVEGCSA-N 2 2 309.291 3.153 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3C[C@H]3C3CCOCC3)c2)c[nH+]1 ZINC000865783021 621995108 /nfs/dbraw/zinc/99/51/08/621995108.db2.gz DSNKDVIEPLSVBB-YOEHRIQHSA-N 2 2 317.458 3.086 20 0 DGADLP CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000865806722 621998662 /nfs/dbraw/zinc/99/86/62/621998662.db2.gz SYRCKHONOBRLJO-SFHVURJKSA-N 2 2 324.453 3.210 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866222597 622069532 /nfs/dbraw/zinc/06/95/32/622069532.db2.gz MEGWOEPTDBRYLA-PKOBYXMFSA-N 2 2 314.404 3.310 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CC1 ZINC000866541268 622135335 /nfs/dbraw/zinc/13/53/35/622135335.db2.gz XDYYLCQLWCKJTJ-LPHOPBHVSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CC1 ZINC000866541268 622135337 /nfs/dbraw/zinc/13/53/37/622135337.db2.gz XDYYLCQLWCKJTJ-LPHOPBHVSA-N 2 2 301.478 3.462 20 0 DGADLP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000866572705 622140764 /nfs/dbraw/zinc/14/07/64/622140764.db2.gz BBVFHEMSPLBAIJ-KRWDZBQOSA-N 2 2 320.477 3.310 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866705065 622158931 /nfs/dbraw/zinc/15/89/31/622158931.db2.gz SGSHFCAFNAHZSE-KRWDZBQOSA-N 2 2 303.406 3.132 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866705065 622158932 /nfs/dbraw/zinc/15/89/32/622158932.db2.gz SGSHFCAFNAHZSE-KRWDZBQOSA-N 2 2 303.406 3.132 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000765491947 622268044 /nfs/dbraw/zinc/26/80/44/622268044.db2.gz YGWQKYGPOMZVNB-AWEZNQCLSA-N 2 2 308.385 3.281 20 0 DGADLP CC(C)(C)OCCC[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000766246502 622314833 /nfs/dbraw/zinc/31/48/33/622314833.db2.gz IKBSSJXYZIRXLI-UHFFFAOYSA-N 2 2 311.857 3.062 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000766251711 622315044 /nfs/dbraw/zinc/31/50/44/622315044.db2.gz XKGRPTKFRXWENP-QGZVFWFLSA-N 2 2 312.461 3.019 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000766251711 622315048 /nfs/dbraw/zinc/31/50/48/622315048.db2.gz XKGRPTKFRXWENP-QGZVFWFLSA-N 2 2 312.461 3.019 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000767414909 622397320 /nfs/dbraw/zinc/39/73/20/622397320.db2.gz LHDDPGPDMHSIQP-QFBILLFUSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000767414909 622397322 /nfs/dbraw/zinc/39/73/22/622397322.db2.gz LHDDPGPDMHSIQP-QFBILLFUSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414909 622397326 /nfs/dbraw/zinc/39/73/26/622397326.db2.gz LHDDPGPDMHSIQP-QFBILLFUSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414909 622397329 /nfs/dbraw/zinc/39/73/29/622397329.db2.gz LHDDPGPDMHSIQP-QFBILLFUSA-N 2 2 314.473 3.341 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1F ZINC000769491468 622533331 /nfs/dbraw/zinc/53/33/31/622533331.db2.gz OLEDAPPDCQZYDO-HZPDHXFCSA-N 2 2 322.468 3.477 20 0 DGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000872022096 622756210 /nfs/dbraw/zinc/75/62/10/622756210.db2.gz TUVIFPZZAPHLNL-LBPRGKRZSA-N 2 2 303.372 3.473 20 0 DGADLP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000872022454 622756896 /nfs/dbraw/zinc/75/68/96/622756896.db2.gz XBSIIOJAQILIDT-QAPCUYQASA-N 2 2 319.424 3.037 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872023560 622757425 /nfs/dbraw/zinc/75/74/25/622757425.db2.gz ISBKNMWIGUKWGN-HZPDHXFCSA-N 2 2 305.466 3.379 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872024811 622757911 /nfs/dbraw/zinc/75/79/11/622757911.db2.gz VYMFCEKNAOWPCQ-HRCADAONSA-N 2 2 307.482 3.481 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000872056395 622779897 /nfs/dbraw/zinc/77/98/97/622779897.db2.gz RASHBDRKNYJPLG-QGZVFWFLSA-N 2 2 317.477 3.198 20 0 DGADLP COCC(C)(C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000872104630 622807690 /nfs/dbraw/zinc/80/76/90/622807690.db2.gz LFQIQVNIJQIOTF-UHFFFAOYSA-N 2 2 310.404 3.056 20 0 DGADLP C[C@@H]([NH2+]CC(F)(F)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000872106316 622808410 /nfs/dbraw/zinc/80/84/10/622808410.db2.gz ILFHNNSKRKBAMH-LLVKDONJSA-N 2 2 318.358 3.377 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000872132238 622825158 /nfs/dbraw/zinc/82/51/58/622825158.db2.gz DCOKPPLPWPVFIQ-HFTRVMKXSA-N 2 2 316.493 3.479 20 0 DGADLP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158907 622840386 /nfs/dbraw/zinc/84/03/86/622840386.db2.gz ZBEWGTZZCCMJRB-ZFWWWQNUSA-N 2 2 324.900 3.193 20 0 DGADLP Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158907 622840392 /nfs/dbraw/zinc/84/03/92/622840392.db2.gz ZBEWGTZZCCMJRB-ZFWWWQNUSA-N 2 2 324.900 3.193 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158114 622840715 /nfs/dbraw/zinc/84/07/15/622840715.db2.gz SXZWPPRSDSGZBU-ZBFHGGJFSA-N 2 2 320.481 3.142 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158114 622840719 /nfs/dbraw/zinc/84/07/19/622840719.db2.gz SXZWPPRSDSGZBU-ZBFHGGJFSA-N 2 2 320.481 3.142 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000772950403 622956652 /nfs/dbraw/zinc/95/66/52/622956652.db2.gz HQWBPGKBSCAWBU-HNNXBMFYSA-N 2 2 301.478 3.357 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccc(F)cc12 ZINC000873248600 623090362 /nfs/dbraw/zinc/09/03/62/623090362.db2.gz GZPCIJWMULNJBN-OCCSQVGLSA-N 2 2 305.397 3.367 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000776164249 623387450 /nfs/dbraw/zinc/38/74/50/623387450.db2.gz YKUJLRIGPGQVPP-RUGDWHBFSA-N 2 2 311.429 3.336 20 0 DGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cocn2)ccc1OC ZINC000777036225 623488706 /nfs/dbraw/zinc/48/87/06/623488706.db2.gz KRLUBPRMNZTOPC-AWEZNQCLSA-N 2 2 317.433 3.376 20 0 DGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cocn2)ccc1OC ZINC000777036228 623488819 /nfs/dbraw/zinc/48/88/19/623488819.db2.gz KRLUBPRMNZTOPC-CQSZACIVSA-N 2 2 317.433 3.376 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876649784 623670364 /nfs/dbraw/zinc/67/03/64/623670364.db2.gz FOMOMXFKUUQDHW-UHFFFAOYSA-N 2 2 303.381 3.327 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000876762871 623700550 /nfs/dbraw/zinc/70/05/50/623700550.db2.gz AYTCODIRCMZMFY-NWDGAFQWSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000876762871 623700553 /nfs/dbraw/zinc/70/05/53/623700553.db2.gz AYTCODIRCMZMFY-NWDGAFQWSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762871 623700559 /nfs/dbraw/zinc/70/05/59/623700559.db2.gz AYTCODIRCMZMFY-NWDGAFQWSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762871 623700562 /nfs/dbraw/zinc/70/05/62/623700562.db2.gz AYTCODIRCMZMFY-NWDGAFQWSA-N 2 2 307.825 3.396 20 0 DGADLP C[NH+](C)CCCC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876768486 623701857 /nfs/dbraw/zinc/70/18/57/623701857.db2.gz JLCFKTNBHBAKLT-UHFFFAOYSA-N 2 2 301.887 3.350 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774963 623703541 /nfs/dbraw/zinc/70/35/41/623703541.db2.gz KVBBSBLQOQJVFW-HNNXBMFYSA-N 2 2 307.457 3.055 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774963 623703545 /nfs/dbraw/zinc/70/35/45/623703545.db2.gz KVBBSBLQOQJVFW-HNNXBMFYSA-N 2 2 307.457 3.055 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774963 623703552 /nfs/dbraw/zinc/70/35/52/623703552.db2.gz KVBBSBLQOQJVFW-HNNXBMFYSA-N 2 2 307.457 3.055 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774963 623703555 /nfs/dbraw/zinc/70/35/55/623703555.db2.gz KVBBSBLQOQJVFW-HNNXBMFYSA-N 2 2 307.457 3.055 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000876779692 623705023 /nfs/dbraw/zinc/70/50/23/623705023.db2.gz BUAYIDWFBLHVLU-INIZCTEOSA-N 2 2 319.468 3.055 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000876779692 623705027 /nfs/dbraw/zinc/70/50/27/623705027.db2.gz BUAYIDWFBLHVLU-INIZCTEOSA-N 2 2 319.468 3.055 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876779692 623705030 /nfs/dbraw/zinc/70/50/30/623705030.db2.gz BUAYIDWFBLHVLU-INIZCTEOSA-N 2 2 319.468 3.055 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779692 623705033 /nfs/dbraw/zinc/70/50/33/623705033.db2.gz BUAYIDWFBLHVLU-INIZCTEOSA-N 2 2 319.468 3.055 20 0 DGADLP ClC1(Cl)C[C@@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000876928444 623746426 /nfs/dbraw/zinc/74/64/26/623746426.db2.gz FAOVCVPTUZFMFB-GFCCVEGCSA-N 2 2 323.333 3.131 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000876956791 623753931 /nfs/dbraw/zinc/75/39/31/623753931.db2.gz NWGMVVZEJDFQPA-AVYPCKFXSA-N 2 2 304.415 3.173 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000877066018 623781679 /nfs/dbraw/zinc/78/16/79/623781679.db2.gz AOQSLSXHORCUSO-BJWYYQGGSA-N 2 2 313.489 3.357 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740922 624013516 /nfs/dbraw/zinc/01/35/16/624013516.db2.gz LDUVABHEAQHXMS-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740922 624013520 /nfs/dbraw/zinc/01/35/20/624013520.db2.gz LDUVABHEAQHXMS-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740922 624013523 /nfs/dbraw/zinc/01/35/23/624013523.db2.gz LDUVABHEAQHXMS-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740922 624013525 /nfs/dbraw/zinc/01/35/25/624013525.db2.gz LDUVABHEAQHXMS-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742632 624015583 /nfs/dbraw/zinc/01/55/83/624015583.db2.gz QGNVHLCVEZWCLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742632 624015585 /nfs/dbraw/zinc/01/55/85/624015585.db2.gz QGNVHLCVEZWCLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742632 624015588 /nfs/dbraw/zinc/01/55/88/624015588.db2.gz QGNVHLCVEZWCLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742632 624015590 /nfs/dbraw/zinc/01/55/90/624015590.db2.gz QGNVHLCVEZWCLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)Cn1cc[nH+]c1 ZINC000126853175 624141283 /nfs/dbraw/zinc/14/12/83/624141283.db2.gz QONSJUPPBDLUAJ-HNNXBMFYSA-N 2 2 316.424 3.048 20 0 DGADLP C[C@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)Cn1cc[nH+]c1 ZINC000126853414 624141452 /nfs/dbraw/zinc/14/14/52/624141452.db2.gz QONSJUPPBDLUAJ-OAHLLOKOSA-N 2 2 316.424 3.048 20 0 DGADLP CC1(C)CCc2onc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2C1 ZINC000878172292 624200458 /nfs/dbraw/zinc/20/04/58/624200458.db2.gz GACQIZFSBLRQFW-UHFFFAOYSA-N 2 2 314.433 3.292 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782764941 624280977 /nfs/dbraw/zinc/28/09/77/624280977.db2.gz BVJKMHDZFHWLMJ-IBGZPJMESA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782764941 624280979 /nfs/dbraw/zinc/28/09/79/624280979.db2.gz BVJKMHDZFHWLMJ-IBGZPJMESA-N 2 2 302.462 3.228 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccccc3Br)C2)C1 ZINC000878645237 624329311 /nfs/dbraw/zinc/32/93/11/624329311.db2.gz INFCRXBZMORKKM-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccccc3Br)C2)C1 ZINC000878645237 624329312 /nfs/dbraw/zinc/32/93/12/624329312.db2.gz INFCRXBZMORKKM-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccccc3Br)C2)C1 ZINC000878645237 624329313 /nfs/dbraw/zinc/32/93/13/624329313.db2.gz INFCRXBZMORKKM-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC000878645237 624329314 /nfs/dbraw/zinc/32/93/14/624329314.db2.gz INFCRXBZMORKKM-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP FC(F)(F)OCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000878668325 624336144 /nfs/dbraw/zinc/33/61/44/624336144.db2.gz RVWPXPYVZNFKEE-UHFFFAOYSA-N 2 2 316.367 3.167 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCC1 ZINC000783315185 624338300 /nfs/dbraw/zinc/33/83/00/624338300.db2.gz WKPPWMOPVBYORK-SFHVURJKSA-N 2 2 302.462 3.228 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000879199608 624449722 /nfs/dbraw/zinc/44/97/22/624449722.db2.gz HQRAAMABQKSXET-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552203 624585319 /nfs/dbraw/zinc/58/53/19/624585319.db2.gz SCYNCGCXXGPBJH-UHFFFAOYSA-N 2 2 320.481 3.248 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578596 624597690 /nfs/dbraw/zinc/59/76/90/624597690.db2.gz FPMIZAWBNYVQBF-KDOFPFPSSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578596 624597691 /nfs/dbraw/zinc/59/76/91/624597691.db2.gz FPMIZAWBNYVQBF-KDOFPFPSSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578596 624597697 /nfs/dbraw/zinc/59/76/97/624597697.db2.gz FPMIZAWBNYVQBF-KDOFPFPSSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578596 624597702 /nfs/dbraw/zinc/59/77/02/624597702.db2.gz FPMIZAWBNYVQBF-KDOFPFPSSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581159 624598987 /nfs/dbraw/zinc/59/89/87/624598987.db2.gz XKIAPIWDPHOJKW-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581159 624598994 /nfs/dbraw/zinc/59/89/94/624598994.db2.gz XKIAPIWDPHOJKW-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581159 624598996 /nfs/dbraw/zinc/59/89/96/624598996.db2.gz XKIAPIWDPHOJKW-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581159 624599002 /nfs/dbraw/zinc/59/90/02/624599002.db2.gz XKIAPIWDPHOJKW-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140224 624803435 /nfs/dbraw/zinc/80/34/35/624803435.db2.gz GGLZODGANVQWTF-VNTMZGSJSA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140224 624803447 /nfs/dbraw/zinc/80/34/47/624803447.db2.gz GGLZODGANVQWTF-VNTMZGSJSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140224 624803459 /nfs/dbraw/zinc/80/34/59/624803459.db2.gz GGLZODGANVQWTF-VNTMZGSJSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000880140224 624803469 /nfs/dbraw/zinc/80/34/69/624803469.db2.gz GGLZODGANVQWTF-VNTMZGSJSA-N 2 2 314.473 3.465 20 0 DGADLP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202762 624838463 /nfs/dbraw/zinc/83/84/63/624838463.db2.gz SHJBOTJMFFRMGS-HOCLYGCPSA-N 2 2 316.436 3.045 20 0 DGADLP FC1(F)CCC[C@H]1CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202762 624838464 /nfs/dbraw/zinc/83/84/64/624838464.db2.gz SHJBOTJMFFRMGS-HOCLYGCPSA-N 2 2 316.436 3.045 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880206117 624840618 /nfs/dbraw/zinc/84/06/18/624840618.db2.gz YJIDLQASVUZZDH-HXUWFJFHSA-N 2 2 316.489 3.161 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880206117 624840622 /nfs/dbraw/zinc/84/06/22/624840622.db2.gz YJIDLQASVUZZDH-HXUWFJFHSA-N 2 2 316.489 3.161 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880206116 624840799 /nfs/dbraw/zinc/84/07/99/624840799.db2.gz YJIDLQASVUZZDH-FQEVSTJZSA-N 2 2 316.489 3.161 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880206116 624840805 /nfs/dbraw/zinc/84/08/05/624840805.db2.gz YJIDLQASVUZZDH-FQEVSTJZSA-N 2 2 316.489 3.161 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000880253772 624869444 /nfs/dbraw/zinc/86/94/44/624869444.db2.gz BGFCAXNQAXYKHW-UHFFFAOYSA-N 2 2 310.482 3.059 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCOC1 ZINC000880469302 624963099 /nfs/dbraw/zinc/96/30/99/624963099.db2.gz JOZFVLIBWUWLBY-HKUYNNGSSA-N 2 2 313.445 3.476 20 0 DGADLP Cc1nsc(C)c1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568781 624978966 /nfs/dbraw/zinc/97/89/66/624978966.db2.gz COUSZBDIOXHVCR-KRWDZBQOSA-N 2 2 312.442 3.488 20 0 DGADLP c1cn(C[C@@H]([NH2+]CCCC2CCOCC2)c2ccccc2)c[nH+]1 ZINC000880569615 624979044 /nfs/dbraw/zinc/97/90/44/624979044.db2.gz MQTIYLPENIHZQU-LJQANCHMSA-N 2 2 313.445 3.421 20 0 DGADLP c1cn(C[C@H]([NH2+]CCCc2ccncc2)c2ccccc2)c[nH+]1 ZINC000880569190 624979387 /nfs/dbraw/zinc/97/93/87/624979387.db2.gz IFZPXKVASIPAGZ-IBGZPJMESA-N 2 2 306.413 3.242 20 0 DGADLP CC(C)(C)OCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569221 624979472 /nfs/dbraw/zinc/97/94/72/624979472.db2.gz JSWTUAUWKNSUNK-QGZVFWFLSA-N 2 2 301.434 3.419 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c2ccccc2)c[nH+]1 ZINC000880569480 624979503 /nfs/dbraw/zinc/97/95/03/624979503.db2.gz FBBYEYBVTIYCRT-YDZRNGNQSA-N 2 2 311.429 3.172 20 0 DGADLP CC(C)n1nccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569888 624980123 /nfs/dbraw/zinc/98/01/23/624980123.db2.gz RJLGSPNRNXKCSH-SFHVURJKSA-N 2 2 309.417 3.192 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612741 625229637 /nfs/dbraw/zinc/22/96/37/625229637.db2.gz VGJFCJRYXHVXBA-MAUKXSAKSA-N 2 2 311.429 3.102 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612741 625229645 /nfs/dbraw/zinc/22/96/45/625229645.db2.gz VGJFCJRYXHVXBA-MAUKXSAKSA-N 2 2 311.429 3.102 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000883093381 625924443 /nfs/dbraw/zinc/92/44/43/625924443.db2.gz SSGNZTITSPCUIZ-MRXNPFEDSA-N 2 2 313.445 3.059 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000796254487 626032835 /nfs/dbraw/zinc/03/28/35/626032835.db2.gz CSFFBMFRMKHWTN-CYBMUJFWSA-N 2 2 319.474 3.454 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592723 626157096 /nfs/dbraw/zinc/15/70/96/626157096.db2.gz AJQZLVUIYBRXGL-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592723 626157098 /nfs/dbraw/zinc/15/70/98/626157098.db2.gz AJQZLVUIYBRXGL-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592723 626157102 /nfs/dbraw/zinc/15/71/02/626157102.db2.gz AJQZLVUIYBRXGL-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592723 626157105 /nfs/dbraw/zinc/15/71/05/626157105.db2.gz AJQZLVUIYBRXGL-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883342267 626654613 /nfs/dbraw/zinc/65/46/13/626654613.db2.gz QXVBFZRKJLTRKR-MAUKXSAKSA-N 2 2 305.466 3.247 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883342267 626654616 /nfs/dbraw/zinc/65/46/16/626654616.db2.gz QXVBFZRKJLTRKR-MAUKXSAKSA-N 2 2 305.466 3.247 20 0 DGADLP CCCC[C@@H](COC)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387293 626668829 /nfs/dbraw/zinc/66/88/29/626668829.db2.gz VFQDJRGEWHYJBJ-ZWKOTPCHSA-N 2 2 301.434 3.419 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@H]2CCC23CCOCC3)c2ccccc2)c[nH+]1 ZINC000883388271 626669331 /nfs/dbraw/zinc/66/93/31/626669331.db2.gz QSNRCPQXKHKQDX-MSOLQXFVSA-N 2 2 311.429 3.173 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387667 626669753 /nfs/dbraw/zinc/66/97/53/626669753.db2.gz BUKYUGQMOJWXIK-QZTJIDSGSA-N 2 2 312.461 3.087 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387667 626669756 /nfs/dbraw/zinc/66/97/56/626669756.db2.gz BUKYUGQMOJWXIK-QZTJIDSGSA-N 2 2 312.461 3.087 20 0 DGADLP c1cn(C[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)c2ccccc2)c[nH+]1 ZINC000883388082 626669776 /nfs/dbraw/zinc/66/97/76/626669776.db2.gz LUPMUNXEYRKQEQ-WMZOPIPTSA-N 2 2 307.401 3.015 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C12CCC2 ZINC000883388614 626670061 /nfs/dbraw/zinc/67/00/61/626670061.db2.gz YTDRYEGIIZXIIN-RCCFBDPRSA-N 2 2 311.429 3.172 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883450778 626684356 /nfs/dbraw/zinc/68/43/56/626684356.db2.gz XPCGSLPIULLKME-CEXWTWQISA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883450778 626684357 /nfs/dbraw/zinc/68/43/57/626684357.db2.gz XPCGSLPIULLKME-CEXWTWQISA-N 2 2 302.462 3.371 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCC3(F)F)CC2)cc1 ZINC000806180765 626704970 /nfs/dbraw/zinc/70/49/70/626704970.db2.gz RYMLCXSWCSHYKH-KRWDZBQOSA-N 2 2 323.431 3.499 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000808442995 626824601 /nfs/dbraw/zinc/82/46/01/626824601.db2.gz QRIZTMRHGGWWNS-BEFAXECRSA-N 2 2 307.397 3.084 20 0 DGADLP Cc1n[nH]c(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C ZINC000885990312 627077359 /nfs/dbraw/zinc/07/73/59/627077359.db2.gz DCLBDLSBCMWIBT-MRXNPFEDSA-N 2 2 312.461 3.342 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000885999897 627079694 /nfs/dbraw/zinc/07/96/94/627079694.db2.gz PHEPQLMJWAWHHF-WMLDXEAASA-N 2 2 318.490 3.261 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C ZINC000885999897 627079698 /nfs/dbraw/zinc/07/96/98/627079698.db2.gz PHEPQLMJWAWHHF-WMLDXEAASA-N 2 2 318.490 3.261 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000886091985 627101388 /nfs/dbraw/zinc/10/13/88/627101388.db2.gz LMJLTYGWQUMGGH-SJLPKXTDSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000886091985 627101389 /nfs/dbraw/zinc/10/13/89/627101389.db2.gz LMJLTYGWQUMGGH-SJLPKXTDSA-N 2 2 306.494 3.475 20 0 DGADLP CC1(C)CO[C@@H](CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000886307442 627134390 /nfs/dbraw/zinc/13/43/90/627134390.db2.gz SLBHRCQQNMJMPK-AWEZNQCLSA-N 2 2 305.447 3.229 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cccnc32)cc1F ZINC000886512805 627155239 /nfs/dbraw/zinc/15/52/39/627155239.db2.gz NFDHTEDILMCAPW-QGZVFWFLSA-N 2 2 322.387 3.492 20 0 DGADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662660 627183320 /nfs/dbraw/zinc/18/33/20/627183320.db2.gz JEGUHOCVWVJGGI-MRXNPFEDSA-N 2 2 321.465 3.184 20 0 DGADLP OC1(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)CCC1 ZINC000886977702 627217501 /nfs/dbraw/zinc/21/75/01/627217501.db2.gz ASIQZZHLFNJEKP-UHFFFAOYSA-N 2 2 311.429 3.047 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000813858426 627516925 /nfs/dbraw/zinc/51/69/25/627516925.db2.gz ZNGWCCQJZCUXMQ-GPMSIDNRSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000813858426 627516930 /nfs/dbraw/zinc/51/69/30/627516930.db2.gz ZNGWCCQJZCUXMQ-GPMSIDNRSA-N 2 2 320.452 3.367 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C1 ZINC000815117864 627628832 /nfs/dbraw/zinc/62/88/32/627628832.db2.gz WECWEWQFVKMEHF-BZSNNMDCSA-N 2 2 324.509 3.353 20 0 DGADLP CCc1nocc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000815120891 627630981 /nfs/dbraw/zinc/63/09/81/627630981.db2.gz OUWFWNQYCWNKSJ-UHFFFAOYSA-N 2 2 305.466 3.371 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000924533841 627645867 /nfs/dbraw/zinc/64/58/67/627645867.db2.gz NBPAEFZDRHDZQN-LJQANCHMSA-N 2 2 322.412 3.056 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000924548833 627647736 /nfs/dbraw/zinc/64/77/36/627647736.db2.gz BFXUKOQCSJETLB-KRWDZBQOSA-N 2 2 323.550 3.451 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924588760 627653151 /nfs/dbraw/zinc/65/31/51/627653151.db2.gz HXEODDHLQUFCAA-UXHICEINSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924588760 627653154 /nfs/dbraw/zinc/65/31/54/627653154.db2.gz HXEODDHLQUFCAA-UXHICEINSA-N 2 2 324.472 3.038 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnn1C1CCC1 ZINC000924645044 627662108 /nfs/dbraw/zinc/66/21/08/627662108.db2.gz CQCISFQQCROZAV-CQSZACIVSA-N 2 2 313.449 3.034 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924700373 627670043 /nfs/dbraw/zinc/67/00/43/627670043.db2.gz YHILWDOTZVQTQN-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924729502 627674016 /nfs/dbraw/zinc/67/40/16/627674016.db2.gz LMAOVLLEWUEFLN-CSLYMUCUSA-N 2 2 305.466 3.235 20 0 DGADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924767591 627677681 /nfs/dbraw/zinc/67/76/81/627677681.db2.gz BNCKJDSCZWSHAH-FUHWJXTLSA-N 2 2 301.434 3.292 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873391 627688911 /nfs/dbraw/zinc/68/89/11/627688911.db2.gz KUKOBMJBWVKNAJ-HUUCEWRRSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873391 627688913 /nfs/dbraw/zinc/68/89/13/627688913.db2.gz KUKOBMJBWVKNAJ-HUUCEWRRSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616209 627690838 /nfs/dbraw/zinc/69/08/38/627690838.db2.gz JABDIQQLUHBKHN-KBXCAEBGSA-N 2 2 322.518 3.294 20 0 DGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616209 627690842 /nfs/dbraw/zinc/69/08/42/627690842.db2.gz JABDIQQLUHBKHN-KBXCAEBGSA-N 2 2 322.518 3.294 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3cccc(C)c32)CC1 ZINC000925000894 627700452 /nfs/dbraw/zinc/70/04/52/627700452.db2.gz LZRSBHXISFPHBX-SFHVURJKSA-N 2 2 316.489 3.461 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)c1ccccc1 ZINC000925058057 627704697 /nfs/dbraw/zinc/70/46/97/627704697.db2.gz PYDFDYFCZADSFP-HPFXQQBRSA-N 2 2 304.478 3.376 20 0 DGADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000925075738 627705903 /nfs/dbraw/zinc/70/59/03/627705903.db2.gz SWTCESQZZQMESX-INIZCTEOSA-N 2 2 317.408 3.351 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccnnc1 ZINC000925136346 627712573 /nfs/dbraw/zinc/71/25/73/627712573.db2.gz OAYISTBVVIZIJL-QRTARXTBSA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccnnc1 ZINC000925136346 627712577 /nfs/dbraw/zinc/71/25/77/627712577.db2.gz OAYISTBVVIZIJL-QRTARXTBSA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(C(C)(C)O)cc1 ZINC000925173306 627715595 /nfs/dbraw/zinc/71/55/95/627715595.db2.gz XSHWYQAWRYAZMI-GOEBONIOSA-N 2 2 313.445 3.339 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177092 627715800 /nfs/dbraw/zinc/71/58/00/627715800.db2.gz NKUDDOCRBPIQGY-RXVVDRJESA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177092 627715804 /nfs/dbraw/zinc/71/58/04/627715804.db2.gz NKUDDOCRBPIQGY-RXVVDRJESA-N 2 2 323.484 3.309 20 0 DGADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(C(C)(C)O)cc1 ZINC000925211133 627719083 /nfs/dbraw/zinc/71/90/83/627719083.db2.gz BPGFLWWCZXHQPG-RDTXWAMCSA-N 2 2 322.518 3.002 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000925215438 627719730 /nfs/dbraw/zinc/71/97/30/627719730.db2.gz FOMRODPDHNGQNY-CQSZACIVSA-N 2 2 303.450 3.148 20 0 DGADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(C[NH+]2CCCC2)c1 ZINC000925526529 627747796 /nfs/dbraw/zinc/74/77/96/627747796.db2.gz JVOISJKVUGVVCP-LJQANCHMSA-N 3 2 313.489 3.047 20 0 DGADLP Clc1ccc2sc(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)nc2c1 ZINC000925580894 627758091 /nfs/dbraw/zinc/75/80/91/627758091.db2.gz PCBULLVUXVADFB-CQSZACIVSA-N 2 2 321.877 3.366 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1 ZINC000925596613 627760364 /nfs/dbraw/zinc/76/03/64/627760364.db2.gz XXRKOZQBPSNIAW-SJKOYZFVSA-N 2 2 306.356 3.022 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925611926 627762761 /nfs/dbraw/zinc/76/27/61/627762761.db2.gz OBVJGEHWEGFLRK-IPMKNSEASA-N 2 2 314.473 3.107 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925611926 627762762 /nfs/dbraw/zinc/76/27/62/627762762.db2.gz OBVJGEHWEGFLRK-IPMKNSEASA-N 2 2 314.473 3.107 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c(C)c1 ZINC000925621575 627764406 /nfs/dbraw/zinc/76/44/06/627764406.db2.gz IQVRWSUZRYFYCZ-IPMKNSEASA-N 3 2 324.472 3.101 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c2ccccn2)c1 ZINC000925625446 627764423 /nfs/dbraw/zinc/76/44/23/627764423.db2.gz FLAAOQBRWMOEQZ-QRVBRYPASA-N 2 2 307.441 3.339 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925637928 627766853 /nfs/dbraw/zinc/76/68/53/627766853.db2.gz VHXKFNNEUXVIJM-GTNSWQLSSA-N 2 2 308.347 3.325 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925637927 627766889 /nfs/dbraw/zinc/76/68/89/627766889.db2.gz VHXKFNNEUXVIJM-DIFFPNOSSA-N 2 2 308.347 3.325 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccccc1 ZINC000925640631 627767639 /nfs/dbraw/zinc/76/76/39/627767639.db2.gz UMIAQKALLGMGRH-MORSLUCNSA-N 2 2 318.848 3.226 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925648303 627769694 /nfs/dbraw/zinc/76/96/94/627769694.db2.gz SSBFFKBKYNUUBV-LIKFIPCRSA-N 2 2 320.864 3.002 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925689195 627777560 /nfs/dbraw/zinc/77/75/60/627777560.db2.gz BOMUGAPZNQYMAA-JKSUJKDBSA-N 2 2 310.482 3.105 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925689195 627777565 /nfs/dbraw/zinc/77/75/65/627777565.db2.gz BOMUGAPZNQYMAA-JKSUJKDBSA-N 2 2 310.482 3.105 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1ccccc1 ZINC000925702436 627778706 /nfs/dbraw/zinc/77/87/06/627778706.db2.gz CWWRKXAPZZRMNE-DHSIGJKJSA-N 2 2 314.454 3.218 20 0 DGADLP FC(F)(F)c1ccc(C2([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925702120 627778820 /nfs/dbraw/zinc/77/88/20/627778820.db2.gz LPDFXWGFMRSSBQ-QYPKEOEOSA-N 2 2 322.374 3.281 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1 ZINC000925710648 627780020 /nfs/dbraw/zinc/78/00/20/627780020.db2.gz QLVVCYNZEAEIOY-KNTRFNDTSA-N 2 2 310.441 3.237 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C12CCC2 ZINC000925731884 627784682 /nfs/dbraw/zinc/78/46/82/627784682.db2.gz VMOAJPAYSUTYIF-QWRGUYRKSA-N 2 2 319.758 3.113 20 0 DGADLP CC(C)[C@@H](c1ccccc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747303 627786389 /nfs/dbraw/zinc/78/63/89/627786389.db2.gz HEXVXNKPMUVFAJ-KRWDZBQOSA-N 2 2 301.459 3.357 20 0 DGADLP CC(C)[C@@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925747303 627786392 /nfs/dbraw/zinc/78/63/92/627786392.db2.gz HEXVXNKPMUVFAJ-KRWDZBQOSA-N 2 2 301.459 3.357 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(Cl)n1 ZINC000925763350 627790388 /nfs/dbraw/zinc/79/03/88/627790388.db2.gz BUQSNHSTTXRXTG-CVEARBPZSA-N 2 2 307.869 3.301 20 0 DGADLP COc1ccc(F)cc1CC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925773928 627793161 /nfs/dbraw/zinc/79/31/61/627793161.db2.gz IBYTZHHGJHICKT-UGSOOPFHSA-N 2 2 302.393 3.055 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1F ZINC000925781610 627794359 /nfs/dbraw/zinc/79/43/59/627794359.db2.gz ISRGGXHUMGOJRK-IINYFYTJSA-N 2 2 304.331 3.250 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000925784118 627794902 /nfs/dbraw/zinc/79/49/02/627794902.db2.gz HXNWVFAKBSTOLO-LIVBEALHSA-N 2 2 321.424 3.362 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2sccc21 ZINC000925794911 627796134 /nfs/dbraw/zinc/79/61/34/627796134.db2.gz WFVBIEZNJYAWCN-IJEWVQPXSA-N 2 2 320.502 3.435 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CCC2 ZINC000925792346 627796142 /nfs/dbraw/zinc/79/61/42/627796142.db2.gz AVASLOAKDNEKRL-MJGOQNOKSA-N 2 2 314.473 3.121 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2ccccn2)c1 ZINC000925814281 627799345 /nfs/dbraw/zinc/79/93/45/627799345.db2.gz JWQMHRNBGKVVFM-YLJYHZDGSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cnc2ccccc2c1)c1ccccc1 ZINC000925834462 627802525 /nfs/dbraw/zinc/80/25/25/627802525.db2.gz XHTUFWOIBWFLGJ-YWZLYKJASA-N 2 2 305.425 3.455 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000926229658 627866600 /nfs/dbraw/zinc/86/66/00/627866600.db2.gz PBFGUYORSPUAAV-YLJYHZDGSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368862 627885209 /nfs/dbraw/zinc/88/52/09/627885209.db2.gz GLAOHDCYKYLQRO-VQIMIIECSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368862 627885212 /nfs/dbraw/zinc/88/52/12/627885212.db2.gz GLAOHDCYKYLQRO-VQIMIIECSA-N 2 2 324.472 3.428 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926681936 627931813 /nfs/dbraw/zinc/93/18/13/627931813.db2.gz DLKAKSUPHWYHJO-SZMVWBNQSA-N 2 2 301.478 3.255 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926681936 627931816 /nfs/dbraw/zinc/93/18/16/627931816.db2.gz DLKAKSUPHWYHJO-SZMVWBNQSA-N 2 2 301.478 3.255 20 0 DGADLP C([NH2+][C@H](C1CC1)C1CCOCC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926744327 627945430 /nfs/dbraw/zinc/94/54/30/627945430.db2.gz ILXUSTXKAQNJBL-RBUKOAKNSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@H](C1CC1)C1CCOCC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926744327 627945433 /nfs/dbraw/zinc/94/54/33/627945433.db2.gz ILXUSTXKAQNJBL-RBUKOAKNSA-N 2 2 306.494 3.188 20 0 DGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746748 627945772 /nfs/dbraw/zinc/94/57/72/627945772.db2.gz UAIHDUYMOKGHST-UHOSZYNNSA-N 2 2 308.510 3.314 20 0 DGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746748 627945776 /nfs/dbraw/zinc/94/57/76/627945776.db2.gz UAIHDUYMOKGHST-UHOSZYNNSA-N 2 2 308.510 3.314 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763026 627948997 /nfs/dbraw/zinc/94/89/97/627948997.db2.gz ROPDCOQJFPOACD-UZLBHIALSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763026 627948998 /nfs/dbraw/zinc/94/89/98/627948998.db2.gz ROPDCOQJFPOACD-UZLBHIALSA-N 3 2 315.505 3.416 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1OC(C)C ZINC000817899089 627955834 /nfs/dbraw/zinc/95/58/34/627955834.db2.gz CKZXEUAJXZBVFJ-GOEBONIOSA-N 2 2 306.450 3.103 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817933962 627965679 /nfs/dbraw/zinc/96/56/79/627965679.db2.gz YHCPWRKXHIKODY-RRFJBIMHSA-N 2 2 311.832 3.275 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000926881390 627969374 /nfs/dbraw/zinc/96/93/74/627969374.db2.gz APXBGSXLEGAWFA-UXHICEINSA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000926881390 627969378 /nfs/dbraw/zinc/96/93/78/627969378.db2.gz APXBGSXLEGAWFA-UXHICEINSA-N 2 2 309.457 3.384 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCOC12CCCCC2)c1cccnc1 ZINC000926902058 627975341 /nfs/dbraw/zinc/97/53/41/627975341.db2.gz UOKCHEPKCXDOME-MSOLQXFVSA-N 2 2 317.477 3.156 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cnn1-c1ccccc1 ZINC000817960491 627976273 /nfs/dbraw/zinc/97/62/73/627976273.db2.gz ZSNBGYRKLBWOJT-GDBMZVCRSA-N 2 2 300.450 3.205 20 0 DGADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926918725 627980558 /nfs/dbraw/zinc/98/05/58/627980558.db2.gz IUWNRUHVTJHDLI-KFKAGJAMSA-N 2 2 311.429 3.482 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1)C[NH+](C)C ZINC000926960708 627989977 /nfs/dbraw/zinc/98/99/77/627989977.db2.gz GUUMFPXJHYIFSD-ZFWWWQNUSA-N 2 2 320.433 3.059 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000818050790 627990829 /nfs/dbraw/zinc/99/08/29/627990829.db2.gz QJPDEAFTUYPBOQ-UHFFFAOYSA-N 2 2 302.422 3.093 20 0 DGADLP CCCCCC[N@@H+](C)CC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000818050790 627990832 /nfs/dbraw/zinc/99/08/32/627990832.db2.gz QJPDEAFTUYPBOQ-UHFFFAOYSA-N 2 2 302.422 3.093 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000823591598 628577630 /nfs/dbraw/zinc/57/76/30/628577630.db2.gz UASNLDNNJLMTJU-CQSZACIVSA-N 2 2 321.428 3.334 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnc(Cl)c1F ZINC000823684620 628586718 /nfs/dbraw/zinc/58/67/18/628586718.db2.gz YKOFCBNKIJEGRP-GFCCVEGCSA-N 2 2 310.804 3.275 20 0 DGADLP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000827600983 628975936 /nfs/dbraw/zinc/97/59/36/628975936.db2.gz RBGGBMNUOHDWMN-ZDUSSCGKSA-N 2 2 300.406 3.020 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1C[C@H]1C ZINC000840727213 630352852 /nfs/dbraw/zinc/35/28/52/630352852.db2.gz KHFMEVVZYOPHHW-CLCXKQKWSA-N 2 2 301.478 3.356 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841009334 630394875 /nfs/dbraw/zinc/39/48/75/630394875.db2.gz MPQLYUTVDSFWIK-SJORKVTESA-N 2 2 308.441 3.102 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841009334 630394878 /nfs/dbraw/zinc/39/48/78/630394878.db2.gz MPQLYUTVDSFWIK-SJORKVTESA-N 2 2 308.441 3.102 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000841100629 630407923 /nfs/dbraw/zinc/40/79/23/630407923.db2.gz JGMMBCVMKFFZGF-OCCSQVGLSA-N 2 2 312.889 3.062 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000841100629 630407925 /nfs/dbraw/zinc/40/79/25/630407925.db2.gz JGMMBCVMKFFZGF-OCCSQVGLSA-N 2 2 312.889 3.062 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000842681542 630562768 /nfs/dbraw/zinc/56/27/68/630562768.db2.gz ZEZKAXSYMFUDQC-SFHVURJKSA-N 2 2 324.472 3.259 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000842681542 630562772 /nfs/dbraw/zinc/56/27/72/630562772.db2.gz ZEZKAXSYMFUDQC-SFHVURJKSA-N 2 2 324.472 3.259 20 0 DGADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccnc2Cl)[C@H](c2ccccc2)C1 ZINC000842764710 630573264 /nfs/dbraw/zinc/57/32/64/630573264.db2.gz JBGOVQYOPOLVBC-SJORKVTESA-N 2 2 315.848 3.170 20 0 DGADLP C[N@H+]1C[C@@H](C[NH2+]Cc2cccnc2Cl)[C@H](c2ccccc2)C1 ZINC000842764710 630573267 /nfs/dbraw/zinc/57/32/67/630573267.db2.gz JBGOVQYOPOLVBC-SJORKVTESA-N 2 2 315.848 3.170 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Cl ZINC000843050922 630608117 /nfs/dbraw/zinc/60/81/17/630608117.db2.gz BKZLWQGZTQSIQK-TZMCWYRMSA-N 2 2 312.889 3.204 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1Cl ZINC000843050922 630608118 /nfs/dbraw/zinc/60/81/18/630608118.db2.gz BKZLWQGZTQSIQK-TZMCWYRMSA-N 2 2 312.889 3.204 20 0 DGADLP CC1(C)Cc2cc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)ccc2O1 ZINC000843129579 630617526 /nfs/dbraw/zinc/61/75/26/630617526.db2.gz WJPBVGFMRVFOMZ-KRWDZBQOSA-N 2 2 300.446 3.164 20 0 DGADLP CC(C)[C@H]([NH3+])c1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000843151626 630621267 /nfs/dbraw/zinc/62/12/67/630621267.db2.gz APCUYLCHNVTJNR-CABCVRRESA-N 2 2 300.406 3.063 20 0 DGADLP CC(C)[C@H]([NH3+])c1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000843151626 630621268 /nfs/dbraw/zinc/62/12/68/630621268.db2.gz APCUYLCHNVTJNR-CABCVRRESA-N 2 2 300.406 3.063 20 0 DGADLP Cc1cc2oc(=O)cc(C[NH2+]CC3([NH3+])CCC3)c2cc1C(C)C ZINC000843368049 630650034 /nfs/dbraw/zinc/65/00/34/630650034.db2.gz MKGOCEUVGMOLOJ-UHFFFAOYSA-N 2 2 314.429 3.196 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@]3(C)CCC[NH2+]C3)c2)[nH+]c1C ZINC000844176497 630711601 /nfs/dbraw/zinc/71/16/01/630711601.db2.gz SFQURJNWBHLYOS-GOSISDBHSA-N 2 2 312.417 3.022 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000846144906 631211871 /nfs/dbraw/zinc/21/18/71/631211871.db2.gz KVFCOCSQAFYJPR-FHWLQOOXSA-N 2 2 320.452 3.366 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000846144906 631211872 /nfs/dbraw/zinc/21/18/72/631211872.db2.gz KVFCOCSQAFYJPR-FHWLQOOXSA-N 2 2 320.452 3.366 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)c2)[nH+]c1C ZINC000846674307 631284042 /nfs/dbraw/zinc/28/40/42/631284042.db2.gz WOOCMVPGTHUQLD-IAGOWNOFSA-N 2 2 324.428 3.163 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c2)[nH+]c1C ZINC000848410598 631656940 /nfs/dbraw/zinc/65/69/40/631656940.db2.gz QZFFLJKAXMTINJ-QFBILLFUSA-N 2 2 324.428 3.022 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccn1 ZINC000848527498 631679051 /nfs/dbraw/zinc/67/90/51/631679051.db2.gz CAFVFMAUVRCSKE-IEBWSBKVSA-N 2 2 317.477 3.012 20 0 DGADLP Cn1c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cnc1Cl ZINC000848533554 631682131 /nfs/dbraw/zinc/68/21/31/631682131.db2.gz RYCXHRLFWJPVSX-UHFFFAOYSA-N 2 2 324.900 3.208 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000848568730 631696515 /nfs/dbraw/zinc/69/65/15/631696515.db2.gz PIJBCSSXXQJVLG-JCGIZDLHSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000848568730 631696521 /nfs/dbraw/zinc/69/65/21/631696521.db2.gz PIJBCSSXXQJVLG-JCGIZDLHSA-N 2 2 300.446 3.289 20 0 DGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])N1CCCCCC1)c1ccco1 ZINC000849027014 631811283 /nfs/dbraw/zinc/81/12/83/631811283.db2.gz VIAALNJKMKNBMM-CABCVRRESA-N 2 2 306.454 3.109 20 0 DGADLP CC(C)(C)NC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054653 631821624 /nfs/dbraw/zinc/82/16/24/631821624.db2.gz NYNZQQNQOHCOLI-OAHLLOKOSA-N 2 2 322.884 3.389 20 0 DGADLP CCc1ccc([C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000849057632 631822671 /nfs/dbraw/zinc/82/26/71/631822671.db2.gz QAXOKPKUZDWQOI-QAPCUYQASA-N 2 2 316.493 3.108 20 0 DGADLP CC(C)CCNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000849091407 631832670 /nfs/dbraw/zinc/83/26/70/631832670.db2.gz DPGCCAAQMCPCTC-HNNXBMFYSA-N 2 2 310.873 3.103 20 0 DGADLP CC(C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000849100995 631835923 /nfs/dbraw/zinc/83/59/23/631835923.db2.gz TWVCJTHLUXESBS-MRXNPFEDSA-N 2 2 322.884 3.217 20 0 DGADLP CC(C)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000849100995 631835925 /nfs/dbraw/zinc/83/59/25/631835925.db2.gz TWVCJTHLUXESBS-MRXNPFEDSA-N 2 2 322.884 3.217 20 0 DGADLP [NH2+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC1CCC1 ZINC000849110278 631838018 /nfs/dbraw/zinc/83/80/18/631838018.db2.gz FLUPMGMDVPBTLC-MRXNPFEDSA-N 2 2 320.868 3.143 20 0 DGADLP [NH2+]=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NC1CCC1 ZINC000849111191 631838496 /nfs/dbraw/zinc/83/84/96/631838496.db2.gz UUAFDHSUGYXRFJ-MRXNPFEDSA-N 2 2 320.868 3.143 20 0 DGADLP CSc1ccc([C@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)cc1 ZINC000849113568 631838871 /nfs/dbraw/zinc/83/88/71/631838871.db2.gz UVCMCSOHTAMYJI-INIZCTEOSA-N 2 2 320.506 3.021 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000850174782 632072399 /nfs/dbraw/zinc/07/23/99/632072399.db2.gz UQUAZIITHOUQSW-KGLIPLIRSA-N 2 2 316.367 3.390 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCC3SCCS3)c2)c[nH+]1 ZINC000850407125 632142528 /nfs/dbraw/zinc/14/25/28/632142528.db2.gz MPTRKSTYTDWVRQ-UHFFFAOYSA-N 2 2 311.501 3.220 20 0 DGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850554600 632190804 /nfs/dbraw/zinc/19/08/04/632190804.db2.gz DSLWEGBYHJRKOV-RHSMWYFYSA-N 2 2 306.425 3.038 20 0 DGADLP Fc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000851922919 632522845 /nfs/dbraw/zinc/52/28/45/632522845.db2.gz RGOJULDKONPKNB-UHFFFAOYSA-N 2 2 302.397 3.110 20 0 DGADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000792977034 660998053 /nfs/dbraw/zinc/99/80/53/660998053.db2.gz HTYLBFRXDZFDHE-QGZVFWFLSA-N 2 2 320.452 3.121 20 0 DGADLP Cc1ncsc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071212338 655598575 /nfs/dbraw/zinc/59/85/75/655598575.db2.gz KTFRHOVAJSMZTM-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261600473 655655076 /nfs/dbraw/zinc/65/50/76/655655076.db2.gz XIEQNLRXHDBDFD-APHBMKBZSA-N 2 2 308.853 3.359 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000090721106 655679035 /nfs/dbraw/zinc/67/90/35/655679035.db2.gz BTGZAEZQJUVIQH-WDEREUQCSA-N 2 2 304.406 3.308 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000090721106 655679036 /nfs/dbraw/zinc/67/90/36/655679036.db2.gz BTGZAEZQJUVIQH-WDEREUQCSA-N 2 2 304.406 3.308 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000052209150 655807687 /nfs/dbraw/zinc/80/76/87/655807687.db2.gz AHQHCZWWBOSQNF-UHFFFAOYSA-N 2 2 322.497 3.311 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000052209150 655807688 /nfs/dbraw/zinc/80/76/88/655807688.db2.gz AHQHCZWWBOSQNF-UHFFFAOYSA-N 2 2 322.497 3.311 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620888 656415614 /nfs/dbraw/zinc/41/56/14/656415614.db2.gz IUHNKWQEIHYIEO-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620888 656415617 /nfs/dbraw/zinc/41/56/17/656415617.db2.gz IUHNKWQEIHYIEO-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620888 656415620 /nfs/dbraw/zinc/41/56/20/656415620.db2.gz IUHNKWQEIHYIEO-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620888 656415621 /nfs/dbraw/zinc/41/56/21/656415621.db2.gz IUHNKWQEIHYIEO-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC000981235306 656655503 /nfs/dbraw/zinc/65/55/03/656655503.db2.gz OLTPPGGOEWGXBZ-SJORKVTESA-N 2 2 315.461 3.047 20 0 DGADLP Cc1sc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000227779949 656845167 /nfs/dbraw/zinc/84/51/67/656845167.db2.gz GVKGCCCIKZUXCI-UHFFFAOYSA-N 2 2 314.252 3.195 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000895380507 657442455 /nfs/dbraw/zinc/44/24/55/657442455.db2.gz YXZCNIQUCXQNBB-HIFRSBDPSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000895380507 657442458 /nfs/dbraw/zinc/44/24/58/657442458.db2.gz YXZCNIQUCXQNBB-HIFRSBDPSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000960288329 657772049 /nfs/dbraw/zinc/77/20/49/657772049.db2.gz OEJXDAWEXIIHRO-IEBWSBKVSA-N 2 2 323.440 3.012 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000320766687 657839735 /nfs/dbraw/zinc/83/97/35/657839735.db2.gz KJBLHVXTCJMNBQ-PWIZWCRZSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000320766687 657839746 /nfs/dbraw/zinc/83/97/46/657839746.db2.gz KJBLHVXTCJMNBQ-PWIZWCRZSA-N 2 2 316.489 3.399 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Br ZINC000054602936 658731982 /nfs/dbraw/zinc/73/19/82/658731982.db2.gz RXTNNNGEBQJDPX-AGUYFDCRSA-N 2 2 309.251 3.293 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Br ZINC000054602936 658731986 /nfs/dbraw/zinc/73/19/86/658731986.db2.gz RXTNNNGEBQJDPX-AGUYFDCRSA-N 2 2 309.251 3.293 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CCCC3)CC2)c1 ZINC000237723327 659938732 /nfs/dbraw/zinc/93/87/32/659938732.db2.gz YOTWEUFCKYYINJ-UHFFFAOYSA-N 2 2 301.478 3.039 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000069627077 660010397 /nfs/dbraw/zinc/01/03/97/660010397.db2.gz HQZRTIHLXHRQBR-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000069627077 660010399 /nfs/dbraw/zinc/01/03/99/660010399.db2.gz HQZRTIHLXHRQBR-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000069626823 660010513 /nfs/dbraw/zinc/01/05/13/660010513.db2.gz YGDNWGCTERLURN-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000069626823 660010521 /nfs/dbraw/zinc/01/05/21/660010521.db2.gz YGDNWGCTERLURN-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000069720682 660017394 /nfs/dbraw/zinc/01/73/94/660017394.db2.gz UQSMJJMDTNPUGH-NSHDSACASA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cs1 ZINC000069720682 660017395 /nfs/dbraw/zinc/01/73/95/660017395.db2.gz UQSMJJMDTNPUGH-NSHDSACASA-N 2 2 303.269 3.214 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174588 660040328 /nfs/dbraw/zinc/04/03/28/660040328.db2.gz CONXEYIJVPQLTC-DGCLKSJQSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174588 660040329 /nfs/dbraw/zinc/04/03/29/660040329.db2.gz CONXEYIJVPQLTC-DGCLKSJQSA-N 2 2 305.447 3.271 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC000929960554 661353773 /nfs/dbraw/zinc/35/37/73/661353773.db2.gz GXARDFMKABOUOW-UHFFFAOYSA-N 2 2 314.832 3.320 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991638 661356318 /nfs/dbraw/zinc/35/63/18/661356318.db2.gz INKGMBNLBRDTBF-XQQFMLRXSA-N 2 2 317.355 3.089 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991638 661356319 /nfs/dbraw/zinc/35/63/19/661356319.db2.gz INKGMBNLBRDTBF-XQQFMLRXSA-N 2 2 317.355 3.089 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@H]3CCCC4(CCC4)O3)CC2)[nH+]c1 ZINC000930128512 661368669 /nfs/dbraw/zinc/36/86/69/661368669.db2.gz FCSCXJNXWOYMDT-QGZVFWFLSA-N 2 2 315.461 3.450 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)CC2)[nH+]c1 ZINC000930128509 661368747 /nfs/dbraw/zinc/36/87/47/661368747.db2.gz FCSCXJNXWOYMDT-KRWDZBQOSA-N 2 2 315.461 3.450 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000930171223 661373368 /nfs/dbraw/zinc/37/33/68/661373368.db2.gz NDPJUOPFCKZJLH-KBPBESRZSA-N 2 2 320.399 3.047 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000930171223 661373372 /nfs/dbraw/zinc/37/33/72/661373372.db2.gz NDPJUOPFCKZJLH-KBPBESRZSA-N 2 2 320.399 3.047 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(C)[nH+]1 ZINC000930681809 661421377 /nfs/dbraw/zinc/42/13/77/661421377.db2.gz ZWVCLVJMKPLLTR-UHFFFAOYSA-N 2 2 311.429 3.091 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313814 661466061 /nfs/dbraw/zinc/46/60/61/661466061.db2.gz GEQHXWPADLNYEC-AQNXPRMDSA-N 2 2 316.489 3.426 20 0 DGADLP CC(C)O[C@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313814 661466064 /nfs/dbraw/zinc/46/60/64/661466064.db2.gz GEQHXWPADLNYEC-AQNXPRMDSA-N 2 2 316.489 3.426 20 0 DGADLP CC(C)O[C@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313814 661466066 /nfs/dbraw/zinc/46/60/66/661466066.db2.gz GEQHXWPADLNYEC-AQNXPRMDSA-N 2 2 316.489 3.426 20 0 DGADLP CC(C)O[C@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313814 661466068 /nfs/dbraw/zinc/46/60/68/661466068.db2.gz GEQHXWPADLNYEC-AQNXPRMDSA-N 2 2 316.489 3.426 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000931706231 661500181 /nfs/dbraw/zinc/50/01/81/661500181.db2.gz BBVQAUYQYCBPSR-UXHICEINSA-N 2 2 321.424 3.256 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000931719693 661502165 /nfs/dbraw/zinc/50/21/65/661502165.db2.gz LUVBLIBJKFCPTM-WJFTUGDTSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000931719693 661502166 /nfs/dbraw/zinc/50/21/66/661502166.db2.gz LUVBLIBJKFCPTM-WJFTUGDTSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000931719693 661502167 /nfs/dbraw/zinc/50/21/67/661502167.db2.gz LUVBLIBJKFCPTM-WJFTUGDTSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000931719693 661502168 /nfs/dbraw/zinc/50/21/68/661502168.db2.gz LUVBLIBJKFCPTM-WJFTUGDTSA-N 2 2 300.446 3.075 20 0 DGADLP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000932802935 661597825 /nfs/dbraw/zinc/59/78/25/661597825.db2.gz NHEDNPUMEFIGNU-AGUYFDCRSA-N 2 2 301.356 3.469 20 0 DGADLP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000932802935 661597828 /nfs/dbraw/zinc/59/78/28/661597828.db2.gz NHEDNPUMEFIGNU-AGUYFDCRSA-N 2 2 301.356 3.469 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091666194 662312631 /nfs/dbraw/zinc/31/26/31/662312631.db2.gz ZYLSQLSYHOJIDQ-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091666194 662312632 /nfs/dbraw/zinc/31/26/32/662312632.db2.gz ZYLSQLSYHOJIDQ-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000394706678 685223267 /nfs/dbraw/zinc/22/32/67/685223267.db2.gz NOBUZMIQUNSUCU-GOSISDBHSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394706678 685223276 /nfs/dbraw/zinc/22/32/76/685223276.db2.gz NOBUZMIQUNSUCU-GOSISDBHSA-N 2 2 315.486 3.453 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576502380 1191832428 /nfs/dbraw/zinc/83/24/28/1191832428.db2.gz BQECUKMLRWXJEQ-LPHOPBHVSA-N 3 2 318.509 3.207 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576502380 1191832437 /nfs/dbraw/zinc/83/24/37/1191832437.db2.gz BQECUKMLRWXJEQ-LPHOPBHVSA-N 3 2 318.509 3.207 20 0 DGADLP C[C@@H]1CCC[C@H]([N@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001576678310 1191861675 /nfs/dbraw/zinc/86/16/75/1191861675.db2.gz MUULJMYHHULFEO-YCPHGPKFSA-N 2 2 304.434 3.001 20 0 DGADLP C[C@@H]1CCC[C@H]([N@@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001576678310 1191861680 /nfs/dbraw/zinc/86/16/80/1191861680.db2.gz MUULJMYHHULFEO-YCPHGPKFSA-N 2 2 304.434 3.001 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)[C@H]1C[NH3+] ZINC001576708258 1191865117 /nfs/dbraw/zinc/86/51/17/1191865117.db2.gz AMBATCANVAISPO-YJBOKZPZSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)[C@H]1C[NH3+] ZINC001576708258 1191865119 /nfs/dbraw/zinc/86/51/19/1191865119.db2.gz AMBATCANVAISPO-YJBOKZPZSA-N 2 2 311.429 3.433 20 0 DGADLP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001576983500 1191878734 /nfs/dbraw/zinc/87/87/34/1191878734.db2.gz QSIXOSRYDRGRCY-LRDDRELGSA-N 2 2 314.433 3.003 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC001577109521 1191884813 /nfs/dbraw/zinc/88/48/13/1191884813.db2.gz CLAWJKBDOINLMM-UHFFFAOYSA-N 2 2 313.445 3.268 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)[C@H]1Sc1ccccc1 ZINC001578149001 1191927522 /nfs/dbraw/zinc/92/75/22/1191927522.db2.gz QQFJJRHEZFDOIK-KVDVXYDOSA-N 2 2 320.502 3.055 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1cccc(OC)c1 ZINC001578970133 1191964155 /nfs/dbraw/zinc/96/41/55/1191964155.db2.gz LFTSJSQPTGXTHO-NVXWUHKLSA-N 2 2 308.466 3.126 20 0 DGADLP COc1ccc([C@@H]2C[N@H+](CCCSC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC001579240366 1191970014 /nfs/dbraw/zinc/97/00/14/1191970014.db2.gz VASBIGYSGINGEK-DLBZAZTESA-N 2 2 322.518 3.344 20 0 DGADLP COc1ccc([C@@H]2C[N@@H+](CCCSC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC001579240366 1191970015 /nfs/dbraw/zinc/97/00/15/1191970015.db2.gz VASBIGYSGINGEK-DLBZAZTESA-N 2 2 322.518 3.344 20 0 DGADLP Cc1cc(C)c2cc(N[C@@H]3C[C@H]([NH3+])C34CCOCC4)ccc2[nH+]1 ZINC001579576931 1191980527 /nfs/dbraw/zinc/98/05/27/1191980527.db2.gz SNBCQLHSBUYGBJ-ZWKOTPCHSA-N 2 2 311.429 3.160 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001579651067 1191984677 /nfs/dbraw/zinc/98/46/77/1191984677.db2.gz OYJSJDICAZEBDN-HNNXBMFYSA-N 2 2 324.428 3.103 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC001579648961 1191984844 /nfs/dbraw/zinc/98/48/44/1191984844.db2.gz RGYJOMYYIFLBGR-QGZVFWFLSA-N 2 2 312.461 3.253 20 0 DGADLP Clc1ccccc1C[C@@H]1CCCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC001579938462 1192000008 /nfs/dbraw/zinc/00/00/08/1192000008.db2.gz GUKBIRVXRXGJTI-DLBZAZTESA-N 2 2 322.880 3.116 20 0 DGADLP Clc1ccccc1C[C@@H]1CCCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC001579938462 1192000010 /nfs/dbraw/zinc/00/00/10/1192000010.db2.gz GUKBIRVXRXGJTI-DLBZAZTESA-N 2 2 322.880 3.116 20 0 DGADLP Cc1sc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC001579934014 1191999520 /nfs/dbraw/zinc/99/95/20/1191999520.db2.gz HNWCANFOANZZPU-GFCCVEGCSA-N 2 2 315.280 3.193 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC001579944851 1192000680 /nfs/dbraw/zinc/00/06/80/1192000680.db2.gz VWOKHGHOTSHDSM-HKUYNNGSSA-N 2 2 312.461 3.100 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC001579944851 1192000683 /nfs/dbraw/zinc/00/06/83/1192000683.db2.gz VWOKHGHOTSHDSM-HKUYNNGSSA-N 2 2 312.461 3.100 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC001579944858 1192000748 /nfs/dbraw/zinc/00/07/48/1192000748.db2.gz VWOKHGHOTSHDSM-PKOBYXMFSA-N 2 2 312.461 3.100 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC001579944858 1192000750 /nfs/dbraw/zinc/00/07/50/1192000750.db2.gz VWOKHGHOTSHDSM-PKOBYXMFSA-N 2 2 312.461 3.100 20 0 DGADLP [NH3+][C@@H](C[N@@H+]1CCC[C@@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127592 1192008884 /nfs/dbraw/zinc/00/88/84/1192008884.db2.gz MOIRJLRWRBLBDK-HUUCEWRRSA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+][C@@H](C[N@H+]1CCC[C@@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127592 1192008886 /nfs/dbraw/zinc/00/88/86/1192008886.db2.gz MOIRJLRWRBLBDK-HUUCEWRRSA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC001580152707 1192010562 /nfs/dbraw/zinc/01/05/62/1192010562.db2.gz PKCSFCXIBQOQHX-UHFFFAOYSA-N 2 2 318.367 3.125 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2)[nH+]c1C ZINC001330970790 1178102185 /nfs/dbraw/zinc/10/21/85/1178102185.db2.gz NFMGTACOYXQRGY-OAHLLOKOSA-N 2 2 312.417 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109372 1178136368 /nfs/dbraw/zinc/13/63/68/1178136368.db2.gz KYNAMHQDJOYOMB-CVEARBPZSA-N 2 2 319.493 3.268 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109372 1178136370 /nfs/dbraw/zinc/13/63/70/1178136370.db2.gz KYNAMHQDJOYOMB-CVEARBPZSA-N 2 2 319.493 3.268 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001331250984 1178164757 /nfs/dbraw/zinc/16/47/57/1178164757.db2.gz AFJYPBJWRJCBKO-IRXDYDNUSA-N 2 2 317.477 3.024 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001331250984 1178164764 /nfs/dbraw/zinc/16/47/64/1178164764.db2.gz AFJYPBJWRJCBKO-IRXDYDNUSA-N 2 2 317.477 3.024 20 0 DGADLP C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc2c(s1)CC[NH2+]C2 ZINC001332397061 1178435828 /nfs/dbraw/zinc/43/58/28/1178435828.db2.gz UDGZJVJQBHVNBS-UHFFFAOYSA-N 2 2 318.490 3.046 20 0 DGADLP C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc2c(s1)CC[NH2+]C2 ZINC001332397061 1178435830 /nfs/dbraw/zinc/43/58/30/1178435830.db2.gz UDGZJVJQBHVNBS-UHFFFAOYSA-N 2 2 318.490 3.046 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001332674799 1178470253 /nfs/dbraw/zinc/47/02/53/1178470253.db2.gz QQYBEEIGNUSJOJ-APWZRJJASA-N 2 2 317.477 3.198 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333645104 1178645205 /nfs/dbraw/zinc/64/52/05/1178645205.db2.gz CQETTZCMSLPELK-CQSZACIVSA-N 2 2 301.390 3.068 20 0 DGADLP c1ccc(N2CCCC2)c(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC001333827521 1178681292 /nfs/dbraw/zinc/68/12/92/1178681292.db2.gz VURYYNUVZXNVSQ-UHFFFAOYSA-N 2 2 313.489 3.393 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001333840486 1178683560 /nfs/dbraw/zinc/68/35/60/1178683560.db2.gz FXKYMTIQAILYFA-WSTZPKSXSA-N 3 2 324.472 3.034 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001333840486 1178683565 /nfs/dbraw/zinc/68/35/65/1178683565.db2.gz FXKYMTIQAILYFA-WSTZPKSXSA-N 3 2 324.472 3.034 20 0 DGADLP Cc1c[nH+]c2ccccc2c1NCc1nc(C[NH+](C)C)cs1 ZINC001334305264 1178747596 /nfs/dbraw/zinc/74/75/96/1178747596.db2.gz RKEMUXQSQOVDAN-UHFFFAOYSA-N 2 2 312.442 3.095 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724710 1178786717 /nfs/dbraw/zinc/78/67/17/1178786717.db2.gz YGKCKDYGFOQKRI-RHSMWYFYSA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724710 1178786720 /nfs/dbraw/zinc/78/67/20/1178786720.db2.gz YGKCKDYGFOQKRI-RHSMWYFYSA-N 2 2 316.836 3.043 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335766155 1178951157 /nfs/dbraw/zinc/95/11/57/1178951157.db2.gz UZNXUPNQJCFPHX-SGMGOOAPSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001335766155 1178951161 /nfs/dbraw/zinc/95/11/61/1178951161.db2.gz UZNXUPNQJCFPHX-SGMGOOAPSA-N 2 2 308.495 3.150 20 0 DGADLP c1cn2c(cccc2C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001621045973 1192956735 /nfs/dbraw/zinc/95/67/35/1192956735.db2.gz NSXMAWLFWUQBRK-GOSISDBHSA-N 2 2 317.396 3.062 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC001346155576 1179663611 /nfs/dbraw/zinc/66/36/11/1179663611.db2.gz GDYMLZVZDCRCIH-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001346155576 1179663614 /nfs/dbraw/zinc/66/36/14/1179663614.db2.gz GDYMLZVZDCRCIH-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP c1[nH+]cn2ccnc(NCc3ccccc3C[NH+]3CCCCC3)c12 ZINC001351948108 1180265529 /nfs/dbraw/zinc/26/55/29/1180265529.db2.gz JDBCJSJQBCIXPZ-UHFFFAOYSA-N 2 2 321.428 3.327 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC(C)(C)C[NH3+])cc2)[nH+]c1C ZINC001354622451 1180858764 /nfs/dbraw/zinc/85/87/64/1180858764.db2.gz RWMQBAJJUDKEJR-UHFFFAOYSA-N 2 2 300.406 3.007 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC001648646863 1195317648 /nfs/dbraw/zinc/31/76/48/1195317648.db2.gz FIANXXQNCGGPFS-CYBMUJFWSA-N 2 2 315.408 3.099 20 0 DGADLP Cc1nc(NCCCCc2cc[nH+]c(N)c2)c2c([nH+]1)CCCC2 ZINC001472888705 1180937273 /nfs/dbraw/zinc/93/72/73/1180937273.db2.gz MAZMBNMKTDVVRM-UHFFFAOYSA-N 2 2 311.433 3.076 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)n1cc[nH+]c1 ZINC001452749842 1182299299 /nfs/dbraw/zinc/29/92/99/1182299299.db2.gz RSJTXYXQEBDDNC-CQSZACIVSA-N 2 2 321.384 3.033 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001460969477 1182747897 /nfs/dbraw/zinc/74/78/97/1182747897.db2.gz BESNEXZMFICXPD-ZDUSSCGKSA-N 2 2 318.421 3.014 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001460969477 1182747900 /nfs/dbraw/zinc/74/79/00/1182747900.db2.gz BESNEXZMFICXPD-ZDUSSCGKSA-N 2 2 318.421 3.014 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001460974651 1182749036 /nfs/dbraw/zinc/74/90/36/1182749036.db2.gz OMYGQLVPRKXIHF-INIZCTEOSA-N 2 2 315.465 3.023 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001460974651 1182749041 /nfs/dbraw/zinc/74/90/41/1182749041.db2.gz OMYGQLVPRKXIHF-INIZCTEOSA-N 2 2 315.465 3.023 20 0 DGADLP CC(C)[C@@H](O)CC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975613 1182749209 /nfs/dbraw/zinc/74/92/09/1182749209.db2.gz RGKFBNHNUOWIPT-WBVHZDCISA-N 2 2 307.482 3.225 20 0 DGADLP CC(C)[C@@H](O)CC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975613 1182749214 /nfs/dbraw/zinc/74/92/14/1182749214.db2.gz RGKFBNHNUOWIPT-WBVHZDCISA-N 2 2 307.482 3.225 20 0 DGADLP CC(C)n1ncc2c1[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC001461409285 1182807948 /nfs/dbraw/zinc/80/79/48/1182807948.db2.gz MKAVNAFKEMPMCM-INIZCTEOSA-N 2 2 313.449 3.092 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001462592753 1182973729 /nfs/dbraw/zinc/97/37/29/1182973729.db2.gz FYXVIIVQASZFQP-BASYENTBSA-N 2 2 323.912 3.056 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001462592753 1182973735 /nfs/dbraw/zinc/97/37/35/1182973735.db2.gz FYXVIIVQASZFQP-BASYENTBSA-N 2 2 323.912 3.056 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2CSC2)C[N@H+](Cc2ccccc2)C1 ZINC001462663629 1182981622 /nfs/dbraw/zinc/98/16/22/1182981622.db2.gz FNAXXRZSUFNEOL-YJBOKZPZSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2CSC2)C[N@@H+](Cc2ccccc2)C1 ZINC001462663629 1182981626 /nfs/dbraw/zinc/98/16/26/1182981626.db2.gz FNAXXRZSUFNEOL-YJBOKZPZSA-N 2 2 304.503 3.240 20 0 DGADLP CC(C)C[C@H](CNc1nc2ccccc2n2c[nH+]cc12)[NH+](C)C ZINC001472650039 1183660506 /nfs/dbraw/zinc/66/05/06/1183660506.db2.gz GXIWSPLRAPZDPI-CQSZACIVSA-N 2 2 311.433 3.271 20 0 DGADLP CC[NH+](CC)CCCCNc1nc2ccccc2n2c[nH+]cc12 ZINC001472724806 1183672289 /nfs/dbraw/zinc/67/22/89/1183672289.db2.gz AJJAPTIMBVLFSI-UHFFFAOYSA-N 2 2 311.433 3.416 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC(C)(C)C1 ZINC001473304163 1183742602 /nfs/dbraw/zinc/74/26/02/1183742602.db2.gz IUKFOOQRUCQGLL-QGZVFWFLSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC(C)(C)C1 ZINC001473304163 1183742604 /nfs/dbraw/zinc/74/26/04/1183742604.db2.gz IUKFOOQRUCQGLL-QGZVFWFLSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554704 1183773690 /nfs/dbraw/zinc/77/36/90/1183773690.db2.gz MYBJRTVZWRPWHD-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001473554704 1183773692 /nfs/dbraw/zinc/77/36/92/1183773692.db2.gz MYBJRTVZWRPWHD-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001473554704 1183773693 /nfs/dbraw/zinc/77/36/93/1183773693.db2.gz MYBJRTVZWRPWHD-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001473554704 1183773696 /nfs/dbraw/zinc/77/36/96/1183773696.db2.gz MYBJRTVZWRPWHD-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](c1ncccn1)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897092 1183822669 /nfs/dbraw/zinc/82/26/69/1183822669.db2.gz IFGYHCUDWPMQGU-LSDHHAIUSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@@H](c1ncccn1)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897092 1183822672 /nfs/dbraw/zinc/82/26/72/1183822672.db2.gz IFGYHCUDWPMQGU-LSDHHAIUSA-N 2 2 313.449 3.369 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)c[nH+]1 ZINC001473967636 1183839906 /nfs/dbraw/zinc/83/99/06/1183839906.db2.gz QQGUGIBWAGUBBL-UHFFFAOYSA-N 2 2 304.353 3.303 20 0 DGADLP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474108107 1183868383 /nfs/dbraw/zinc/86/83/83/1183868383.db2.gz GDLXWTUQKVMYEV-KBPBESRZSA-N 2 2 319.518 3.374 20 0 DGADLP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001474108107 1183868388 /nfs/dbraw/zinc/86/83/88/1183868388.db2.gz GDLXWTUQKVMYEV-KBPBESRZSA-N 2 2 319.518 3.374 20 0 DGADLP COCC(C)(C)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001474755047 1183973934 /nfs/dbraw/zinc/97/39/34/1183973934.db2.gz LWQZNSOOCBAGNX-OAHLLOKOSA-N 2 2 307.482 3.490 20 0 DGADLP COCC(C)(C)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001474755047 1183973936 /nfs/dbraw/zinc/97/39/36/1183973936.db2.gz LWQZNSOOCBAGNX-OAHLLOKOSA-N 2 2 307.482 3.490 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001480507415 1184539655 /nfs/dbraw/zinc/53/96/55/1184539655.db2.gz NHKOWEZWWLDHHA-CQSZACIVSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001480507418 1184539792 /nfs/dbraw/zinc/53/97/92/1184539792.db2.gz NKGQJGJQOCXQEN-BBRMVZONSA-N 2 2 319.493 3.397 20 0 DGADLP CCC/C=C\CC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001497866680 1185402936 /nfs/dbraw/zinc/40/29/36/1185402936.db2.gz IPDYOYGTIPFRPL-HLRDLLSLSA-N 2 2 317.477 3.461 20 0 DGADLP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001506930028 1186316137 /nfs/dbraw/zinc/31/61/37/1186316137.db2.gz INKSLEVWKMEIEA-HNNXBMFYSA-N 2 2 317.477 3.461 20 0 DGADLP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001508128956 1186483724 /nfs/dbraw/zinc/48/37/24/1186483724.db2.gz KBUMVAUWLSHQSS-CDEQTRAXSA-N 2 2 317.477 3.246 20 0 DGADLP C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)C(C)(C)C[NH+](C)C ZINC001611997212 1193444919 /nfs/dbraw/zinc/44/49/19/1193444919.db2.gz GGEDSHAQDMURHE-CYBMUJFWSA-N 2 2 311.433 3.271 20 0 DGADLP CC[NH+](CC)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)CC(C)C ZINC001615883815 1193530752 /nfs/dbraw/zinc/53/07/52/1193530752.db2.gz GTZXMMMTBFRQSI-OAHLLOKOSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001616295776 1193534651 /nfs/dbraw/zinc/53/46/51/1193534651.db2.gz WRYSAYLQNKBSFF-UHFFFAOYSA-N 2 2 304.554 3.194 20 0 DGADLP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001541012551 1188268048 /nfs/dbraw/zinc/26/80/48/1188268048.db2.gz IHACFBPDBMUYRL-QAPCUYQASA-N 2 2 315.461 3.094 20 0 DGADLP CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001541012551 1188268050 /nfs/dbraw/zinc/26/80/50/1188268050.db2.gz IHACFBPDBMUYRL-QAPCUYQASA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001541012551 1188268052 /nfs/dbraw/zinc/26/80/52/1188268052.db2.gz IHACFBPDBMUYRL-QAPCUYQASA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001541012551 1188268055 /nfs/dbraw/zinc/26/80/55/1188268055.db2.gz IHACFBPDBMUYRL-QAPCUYQASA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+](CC)[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)CC(C)C ZINC001542930688 1188309216 /nfs/dbraw/zinc/30/92/16/1188309216.db2.gz OOOCRMVAAUTYKZ-KRWDZBQOSA-N 2 2 319.493 3.493 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001548851848 1188466967 /nfs/dbraw/zinc/46/69/67/1188466967.db2.gz LZBXLVWTKYFTHR-WCQYABFASA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001548851848 1188466971 /nfs/dbraw/zinc/46/69/71/1188466971.db2.gz LZBXLVWTKYFTHR-WCQYABFASA-N 2 2 302.249 3.183 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3F)C2)CCO1 ZINC001548920261 1188480820 /nfs/dbraw/zinc/48/08/20/1188480820.db2.gz KNHXDXUFFMKJMA-OPNNQBFTSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3F)C2)CCO1 ZINC001548920261 1188480822 /nfs/dbraw/zinc/48/08/22/1188480822.db2.gz KNHXDXUFFMKJMA-OPNNQBFTSA-N 2 2 320.452 3.003 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001550058286 1188576686 /nfs/dbraw/zinc/57/66/86/1188576686.db2.gz JYDRAEHNLOIYGN-ZWKOTPCHSA-N 2 2 324.472 3.126 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001550058286 1188576688 /nfs/dbraw/zinc/57/66/88/1188576688.db2.gz JYDRAEHNLOIYGN-ZWKOTPCHSA-N 2 2 324.472 3.126 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(F)cc1C ZINC001550058419 1188576728 /nfs/dbraw/zinc/57/67/28/1188576728.db2.gz KTAGPZMPMBBDBN-AWEZNQCLSA-N 2 2 317.408 3.256 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(F)cc1C ZINC001550058419 1188576731 /nfs/dbraw/zinc/57/67/31/1188576731.db2.gz KTAGPZMPMBBDBN-AWEZNQCLSA-N 2 2 317.408 3.256 20 0 DGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001550219666 1188595252 /nfs/dbraw/zinc/59/52/52/1188595252.db2.gz ZOTGSVYVBNNYSY-ZUZCIYMTSA-N 2 2 300.406 3.005 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001550618965 1188632360 /nfs/dbraw/zinc/63/23/60/1188632360.db2.gz AYLKTVYKKQBKKO-LBPRGKRZSA-N 2 2 319.840 3.054 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001550618965 1188632365 /nfs/dbraw/zinc/63/23/65/1188632365.db2.gz AYLKTVYKKQBKKO-LBPRGKRZSA-N 2 2 319.840 3.054 20 0 DGADLP C[NH+](C)Cc1nc(C[NH2+][C@@H]2CCCc3ccccc3C2)cs1 ZINC001551229770 1188716907 /nfs/dbraw/zinc/71/69/07/1188716907.db2.gz VCRWUWFILIOCCK-MRXNPFEDSA-N 2 2 315.486 3.242 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])ccc1F ZINC001551378307 1188732250 /nfs/dbraw/zinc/73/22/50/1188732250.db2.gz OGHQUSLAKFQKIJ-PBQZTSCYSA-N 2 2 300.377 3.110 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1[C@H]3CCC[NH2+][C@H]3C1(C)C)CCC2 ZINC001553024164 1188890389 /nfs/dbraw/zinc/89/03/89/1188890389.db2.gz NJKSDIPEIYGRHR-BURFUSLBSA-N 2 2 316.493 3.208 20 0 DGADLP CCc1cc(NC[C@H](c2cccs2)[NH+](C)C)nc(CC)[nH+]1 ZINC001559049212 1189165579 /nfs/dbraw/zinc/16/55/79/1189165579.db2.gz UABUHMASYQQKHU-CYBMUJFWSA-N 2 2 304.463 3.378 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001559524686 1189212997 /nfs/dbraw/zinc/21/29/97/1189212997.db2.gz MHRYJGPTYQPYOY-RCCFBDPRSA-N 2 2 324.509 3.162 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001559524686 1189212998 /nfs/dbraw/zinc/21/29/98/1189212998.db2.gz MHRYJGPTYQPYOY-RCCFBDPRSA-N 2 2 324.509 3.162 20 0 DGADLP CC(C)C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001559576159 1189219181 /nfs/dbraw/zinc/21/91/81/1189219181.db2.gz UFKJKORLLRPSHW-HXUWFJFHSA-N 2 2 316.489 3.387 20 0 DGADLP CC(C)C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001559576159 1189219184 /nfs/dbraw/zinc/21/91/84/1189219184.db2.gz UFKJKORLLRPSHW-HXUWFJFHSA-N 2 2 316.489 3.387 20 0 DGADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560068740 1189275221 /nfs/dbraw/zinc/27/52/21/1189275221.db2.gz HAAPHBYSZKROJG-MSOLQXFVSA-N 2 2 324.509 3.161 20 0 DGADLP COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560068740 1189275224 /nfs/dbraw/zinc/27/52/24/1189275224.db2.gz HAAPHBYSZKROJG-MSOLQXFVSA-N 2 2 324.509 3.161 20 0 DGADLP C[C@@]1([NH2+]CCCO)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001560188376 1189288369 /nfs/dbraw/zinc/28/83/69/1189288369.db2.gz LBQNCPMZFAWGJN-LEWJYISDSA-N 2 2 324.468 3.017 20 0 DGADLP C[C@@]1([NH2+]CCCO)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001560188376 1189288374 /nfs/dbraw/zinc/28/83/74/1189288374.db2.gz LBQNCPMZFAWGJN-LEWJYISDSA-N 2 2 324.468 3.017 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC001560248035 1189299603 /nfs/dbraw/zinc/29/96/03/1189299603.db2.gz UKQAWKLCXJKDJG-UHFFFAOYSA-N 2 2 303.837 3.462 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCCC3)C[C@@H](C)O1 ZINC001560255278 1189300415 /nfs/dbraw/zinc/30/04/15/1189300415.db2.gz IUFQCYXMKLVREG-IAGOWNOFSA-N 2 2 316.489 3.154 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001560329254 1189311820 /nfs/dbraw/zinc/31/18/20/1189311820.db2.gz ABQYPJQCOQMSDM-ZWKOTPCHSA-N 2 2 316.489 3.407 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001560329254 1189311823 /nfs/dbraw/zinc/31/18/23/1189311823.db2.gz ABQYPJQCOQMSDM-ZWKOTPCHSA-N 2 2 316.489 3.407 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001560493198 1189332866 /nfs/dbraw/zinc/33/28/66/1189332866.db2.gz UXRVNTSYOXGSBI-LLVKDONJSA-N 2 2 314.414 3.082 20 0 DGADLP Cc1ccc(Br)c(F)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001560546701 1189339382 /nfs/dbraw/zinc/33/93/82/1189339382.db2.gz FKHPAZFLMZJAGM-NSHDSACASA-N 2 2 317.246 3.326 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@@H]2C1 ZINC001560623188 1189349800 /nfs/dbraw/zinc/34/98/00/1189349800.db2.gz RAHSMUXCUKZYKB-IACUBPJLSA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@@H]2C1 ZINC001560623188 1189349804 /nfs/dbraw/zinc/34/98/04/1189349804.db2.gz RAHSMUXCUKZYKB-IACUBPJLSA-N 2 2 319.499 3.301 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001561016309 1189421290 /nfs/dbraw/zinc/42/12/90/1189421290.db2.gz TWYWZCQTAXZPAF-JXFKEZNVSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001561016309 1189421294 /nfs/dbraw/zinc/42/12/94/1189421294.db2.gz TWYWZCQTAXZPAF-JXFKEZNVSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001561016276 1189421627 /nfs/dbraw/zinc/42/16/27/1189421627.db2.gz SHHHSSIZYZFRSY-PKOBYXMFSA-N 2 2 321.553 3.351 20 0 DGADLP C[C@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001561016276 1189421629 /nfs/dbraw/zinc/42/16/29/1189421629.db2.gz SHHHSSIZYZFRSY-PKOBYXMFSA-N 2 2 321.553 3.351 20 0 DGADLP CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568646660 1190572933 /nfs/dbraw/zinc/57/29/33/1190572933.db2.gz RNKSGBAQAKYMEI-WSNITJDQSA-N 2 2 314.433 3.017 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001570621512 1190903269 /nfs/dbraw/zinc/90/32/69/1190903269.db2.gz MIXDBEYAAPCXNR-CABCVRRESA-N 2 2 305.466 3.149 20 0 DGADLP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001571138621 1190983472 /nfs/dbraw/zinc/98/34/72/1190983472.db2.gz AQFUQWIQBXGNOA-QAQDUYKDSA-N 2 2 315.461 3.071 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001575461904 1191484961 /nfs/dbraw/zinc/48/49/61/1191484961.db2.gz YPSMTIWMVAWGJA-INIZCTEOSA-N 2 2 303.381 3.086 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001620725899 1193795659 /nfs/dbraw/zinc/79/56/59/1193795659.db2.gz IYKMODYALHKSDM-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001620725899 1193795662 /nfs/dbraw/zinc/79/56/62/1193795662.db2.gz IYKMODYALHKSDM-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001621288217 1193827688 /nfs/dbraw/zinc/82/76/88/1193827688.db2.gz ZVBYRJAJDXTTHL-SFHVURJKSA-N 2 2 315.505 3.225 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001621288217 1193827690 /nfs/dbraw/zinc/82/76/90/1193827690.db2.gz ZVBYRJAJDXTTHL-SFHVURJKSA-N 2 2 315.505 3.225 20 0 DGADLP Cc1csc2nc(C)c(C[N@@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)n12 ZINC001621570082 1193860110 /nfs/dbraw/zinc/86/01/10/1193860110.db2.gz KKNMCMVSBUDPOL-UHFFFAOYSA-N 2 2 320.506 3.365 20 0 DGADLP Cc1csc2nc(C)c(C[N@H+]3CCC(C)(C)[NH2+]C(C)(C)C3)n12 ZINC001621570082 1193860111 /nfs/dbraw/zinc/86/01/11/1193860111.db2.gz KKNMCMVSBUDPOL-UHFFFAOYSA-N 2 2 320.506 3.365 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H](C)CC[NH+](C)C)cc2)[nH+]c1C ZINC001636862295 1194637736 /nfs/dbraw/zinc/63/77/36/1194637736.db2.gz BDHBDMFXFSEGHO-LBPRGKRZSA-N 2 2 314.433 3.220 20 0 DGADLP Cc1nc(NCC[N@@H+](C)Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001639335850 1194760903 /nfs/dbraw/zinc/76/09/03/1194760903.db2.gz NPVDXOQJNWCTNS-UHFFFAOYSA-N 2 2 310.445 3.208 20 0 DGADLP Cc1nc(NCC[N@H+](C)Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001639335850 1194760905 /nfs/dbraw/zinc/76/09/05/1194760905.db2.gz NPVDXOQJNWCTNS-UHFFFAOYSA-N 2 2 310.445 3.208 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001639595830 1194773315 /nfs/dbraw/zinc/77/33/15/1194773315.db2.gz JSCMRXJINJZCIQ-KRWDZBQOSA-N 2 2 324.428 3.058 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001639595830 1194773316 /nfs/dbraw/zinc/77/33/16/1194773316.db2.gz JSCMRXJINJZCIQ-KRWDZBQOSA-N 2 2 324.428 3.058 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc(CC)[nH+]1 ZINC001640177676 1194800416 /nfs/dbraw/zinc/80/04/16/1194800416.db2.gz FZTNBMUPGASCEB-OAHLLOKOSA-N 2 2 302.466 3.420 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc(CC)[nH+]1 ZINC001640177676 1194800418 /nfs/dbraw/zinc/80/04/18/1194800418.db2.gz FZTNBMUPGASCEB-OAHLLOKOSA-N 2 2 302.466 3.420 20 0 DGADLP Cc1nc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC001642078287 1194887011 /nfs/dbraw/zinc/88/70/11/1194887011.db2.gz RIYYSTPBOKNOGX-HUUCEWRRSA-N 2 2 316.493 3.444 20 0 DGADLP CCc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464173 1194913137 /nfs/dbraw/zinc/91/31/37/1194913137.db2.gz GNGPTEXTLZYCMR-YOEHRIQHSA-N 2 2 314.477 3.055 20 0 DGADLP CCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464173 1194913139 /nfs/dbraw/zinc/91/31/39/1194913139.db2.gz GNGPTEXTLZYCMR-YOEHRIQHSA-N 2 2 314.477 3.055 20 0 DGADLP Cc1nc(NCC[C@H](C)[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC001642559642 1194919297 /nfs/dbraw/zinc/91/92/97/1194919297.db2.gz SLONOBGQOUSPLC-AWEZNQCLSA-N 2 2 302.466 3.340 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC001642811430 1194942116 /nfs/dbraw/zinc/94/21/16/1194942116.db2.gz CZOQCCBGBFEWEH-HLIPFELVSA-N 2 2 316.489 3.433 20 0 DGADLP C[C@H]1[C@@H](C)[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001643486757 1195028519 /nfs/dbraw/zinc/02/85/19/1195028519.db2.gz OKXOKQFPRQGCDW-MLYOOKFZSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)[C@H]1C ZINC001643487225 1195028456 /nfs/dbraw/zinc/02/84/56/1195028456.db2.gz SXFZGVZLOWEWQX-QYZOEREBSA-N 2 2 315.505 3.175 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)[C@H]1C ZINC001643487225 1195028459 /nfs/dbraw/zinc/02/84/59/1195028459.db2.gz SXFZGVZLOWEWQX-QYZOEREBSA-N 2 2 315.505 3.175 20 0 DGADLP C[C@H]1[C@@H](C)[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001643486757 1195028513 /nfs/dbraw/zinc/02/85/13/1195028513.db2.gz OKXOKQFPRQGCDW-MLYOOKFZSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@H]1[C@@H](C)[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001643486757 1195028522 /nfs/dbraw/zinc/02/85/22/1195028522.db2.gz OKXOKQFPRQGCDW-MLYOOKFZSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@H]1[C@@H](C)[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001643486757 1195028530 /nfs/dbraw/zinc/02/85/30/1195028530.db2.gz OKXOKQFPRQGCDW-MLYOOKFZSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001644038453 1195075752 /nfs/dbraw/zinc/07/57/52/1195075752.db2.gz DQSREWSOAPOUEO-RABLLNBGSA-N 2 2 314.351 3.138 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001644038453 1195075756 /nfs/dbraw/zinc/07/57/56/1195075756.db2.gz DQSREWSOAPOUEO-RABLLNBGSA-N 2 2 314.351 3.138 20 0 DGADLP c1cc2n(c1)CC[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001644435903 1195108831 /nfs/dbraw/zinc/10/88/31/1195108831.db2.gz KZCGVZLEFQMFSX-UHFFFAOYSA-N 2 2 309.457 3.490 20 0 DGADLP c1cc2n(c1)CC[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC001644435903 1195108834 /nfs/dbraw/zinc/10/88/34/1195108834.db2.gz KZCGVZLEFQMFSX-UHFFFAOYSA-N 2 2 309.457 3.490 20 0 DGADLP CC(C)[C@@](O)(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843057 1195138474 /nfs/dbraw/zinc/13/84/74/1195138474.db2.gz WGBGFZPSZZJIGK-APWZRJJASA-N 2 2 313.445 3.133 20 0 DGADLP CC(C)[C@@](O)(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843057 1195138475 /nfs/dbraw/zinc/13/84/75/1195138475.db2.gz WGBGFZPSZZJIGK-APWZRJJASA-N 2 2 313.445 3.133 20 0 DGADLP CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001645011204 1195149646 /nfs/dbraw/zinc/14/96/46/1195149646.db2.gz OAKZGLMGFITTBO-LJQANCHMSA-N 2 2 316.489 3.387 20 0 DGADLP CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001645011204 1195149649 /nfs/dbraw/zinc/14/96/49/1195149649.db2.gz OAKZGLMGFITTBO-LJQANCHMSA-N 2 2 316.489 3.387 20 0 DGADLP OCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccs1 ZINC001647023961 1195241074 /nfs/dbraw/zinc/24/10/74/1195241074.db2.gz NDSCQZKBYTVPTB-AWEZNQCLSA-N 2 2 319.455 3.209 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC001648646863 1195317647 /nfs/dbraw/zinc/31/76/47/1195317647.db2.gz FIANXXQNCGGPFS-CYBMUJFWSA-N 2 2 315.408 3.099 20 0 DGADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647175 1195318118 /nfs/dbraw/zinc/31/81/18/1195318118.db2.gz JKKGUSDVVMYNGI-HNNXBMFYSA-N 2 2 321.465 3.159 20 0 DGADLP CC(C)OC(=O)CC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647175 1195318122 /nfs/dbraw/zinc/31/81/22/1195318122.db2.gz JKKGUSDVVMYNGI-HNNXBMFYSA-N 2 2 321.465 3.159 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC001648686911 1195322387 /nfs/dbraw/zinc/32/23/87/1195322387.db2.gz NTNCRBOXIMBPME-UHFFFAOYSA-N 2 2 320.403 3.041 20 0 DGADLP c1cn(CCC[NH2+]Cc2cccc(Oc3ccccn3)c2)c[nH+]1 ZINC001648709512 1195324453 /nfs/dbraw/zinc/32/44/53/1195324453.db2.gz DYSAAKJOAICZPE-UHFFFAOYSA-N 2 2 308.385 3.250 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cnc(Cl)c(F)c1)Cc1ccccc1 ZINC001648728141 1195326749 /nfs/dbraw/zinc/32/67/49/1195326749.db2.gz DZOSOSYAAGBYLE-UHFFFAOYSA-N 2 2 321.827 3.486 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cnc(Cl)c(F)c1)Cc1ccccc1 ZINC001648728141 1195326754 /nfs/dbraw/zinc/32/67/54/1195326754.db2.gz DZOSOSYAAGBYLE-UHFFFAOYSA-N 2 2 321.827 3.486 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001648741909 1195326966 /nfs/dbraw/zinc/32/69/66/1195326966.db2.gz NFWFLMCZIPVHQF-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3[nH]nc4ccccc43)c2)c[nH+]1 ZINC001648772768 1195330836 /nfs/dbraw/zinc/33/08/36/1195330836.db2.gz VUKKCNOVFYLLJO-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC001648779571 1195331094 /nfs/dbraw/zinc/33/10/94/1195331094.db2.gz GPPUMGWPUSUUBA-NSHDSACASA-N 2 2 304.444 3.246 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(Br)cc1F ZINC001651135581 1195418656 /nfs/dbraw/zinc/41/86/56/1195418656.db2.gz ALKIIDXIGPZYJQ-SNVBAGLBSA-N 2 2 317.246 3.184 20 0 DGADLP CCc1cc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)nc(CC)[nH+]1 ZINC001651278563 1195436823 /nfs/dbraw/zinc/43/68/23/1195436823.db2.gz SBAHVQBZOSLSFQ-INIZCTEOSA-N 2 2 316.424 3.455 20 0 DGADLP CNc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001651472893 1195467682 /nfs/dbraw/zinc/46/76/82/1195467682.db2.gz VCEDAAQPLICFDS-IBGZPJMESA-N 2 2 306.413 3.456 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001651646761 1195490401 /nfs/dbraw/zinc/49/04/01/1195490401.db2.gz PIOSCTYXQSVALM-UIRWJGRMSA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001651646761 1195490406 /nfs/dbraw/zinc/49/04/06/1195490406.db2.gz PIOSCTYXQSVALM-UIRWJGRMSA-N 2 2 302.462 3.310 20 0 DGADLP CCCC[N@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001652063963 1195542581 /nfs/dbraw/zinc/54/25/81/1195542581.db2.gz CLWIZLUYALSWOH-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP CCCC[N@@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001652063963 1195542584 /nfs/dbraw/zinc/54/25/84/1195542584.db2.gz CLWIZLUYALSWOH-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001652541114 1195614322 /nfs/dbraw/zinc/61/43/22/1195614322.db2.gz MBXRUFCYBBIQAY-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)(C)C ZINC001652541114 1195614329 /nfs/dbraw/zinc/61/43/29/1195614329.db2.gz MBXRUFCYBBIQAY-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC001652586871 1195621365 /nfs/dbraw/zinc/62/13/65/1195621365.db2.gz GKZKLNZVMZXMKT-IBGZPJMESA-N 2 2 312.461 3.042 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC001652586873 1195621594 /nfs/dbraw/zinc/62/15/94/1195621594.db2.gz GKZKLNZVMZXMKT-LJQANCHMSA-N 2 2 312.461 3.042 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC001652865410 1195663344 /nfs/dbraw/zinc/66/33/44/1195663344.db2.gz PPUCPVMHLOZQOW-CQSZACIVSA-N 2 2 311.267 3.368 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC001652865410 1195663347 /nfs/dbraw/zinc/66/33/47/1195663347.db2.gz PPUCPVMHLOZQOW-CQSZACIVSA-N 2 2 311.267 3.368 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653201759 1195697759 /nfs/dbraw/zinc/69/77/59/1195697759.db2.gz OWTSZANDKWXAOS-ICSRJNTNSA-N 2 2 315.505 3.367 20 0 DGADLP CC(C)[C@@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC001653507731 1195729466 /nfs/dbraw/zinc/72/94/66/1195729466.db2.gz RCGKYCSRIZRUJB-IBGZPJMESA-N 2 2 313.445 3.064 20 0 DGADLP CC[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC001654218312 1195785096 /nfs/dbraw/zinc/78/50/96/1195785096.db2.gz KUMAOXBXVZCTNQ-RBUKOAKNSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC001654218312 1195785099 /nfs/dbraw/zinc/78/50/99/1195785099.db2.gz KUMAOXBXVZCTNQ-RBUKOAKNSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC001654218060 1195785604 /nfs/dbraw/zinc/78/56/04/1195785604.db2.gz ICSDHRCLEZZIBA-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC001654218060 1195785608 /nfs/dbraw/zinc/78/56/08/1195785608.db2.gz ICSDHRCLEZZIBA-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001655188107 1195888365 /nfs/dbraw/zinc/88/83/65/1195888365.db2.gz BBXNCWMUPAAUEV-SFHVURJKSA-N 2 2 310.445 3.367 20 0 DGADLP Clc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC001655430860 1195916027 /nfs/dbraw/zinc/91/60/27/1195916027.db2.gz HFZUFVAXYDKCSM-MRXNPFEDSA-N 2 2 312.804 3.463 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H](C)CC[NH+](C)C)cc1Cl ZINC001655468410 1195921306 /nfs/dbraw/zinc/92/13/06/1195921306.db2.gz OCUOTAVGWWYPCC-SNVBAGLBSA-N 2 2 305.249 3.432 20 0 DGADLP Cc1csc(CCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC001655489481 1195923140 /nfs/dbraw/zinc/92/31/40/1195923140.db2.gz WMOHNGYMYZRKNG-UHFFFAOYSA-N 2 2 318.471 3.421 20 0 DGADLP Cc1c(Cl)cccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001655834999 1195968635 /nfs/dbraw/zinc/96/86/35/1195968635.db2.gz SHIPURPIBCJCSU-UHFFFAOYSA-N 2 2 318.852 3.057 20 0 DGADLP COC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001655937421 1195979958 /nfs/dbraw/zinc/97/99/58/1195979958.db2.gz MJHVSDJBNSVGQF-KRWDZBQOSA-N 2 2 313.426 3.411 20 0 DGADLP Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656408725 1196036979 /nfs/dbraw/zinc/03/69/79/1196036979.db2.gz HBLAKTNSYGBPCP-INIZCTEOSA-N 2 2 311.410 3.417 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC001656506479 1196045633 /nfs/dbraw/zinc/04/56/33/1196045633.db2.gz PFDKOPJQGGILHM-RBUKOAKNSA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC001656506479 1196045635 /nfs/dbraw/zinc/04/56/35/1196045635.db2.gz PFDKOPJQGGILHM-RBUKOAKNSA-N 2 2 311.429 3.406 20 0 DGADLP CO[C@H](C[NH+]1CCC(c2c[nH+]cn2C)CC1)c1ccc(F)cc1 ZINC001656549066 1196049175 /nfs/dbraw/zinc/04/91/75/1196049175.db2.gz IJCLZEBJKXPJOR-GOSISDBHSA-N 2 2 317.408 3.126 20 0 DGADLP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001656769438 1196070421 /nfs/dbraw/zinc/07/04/21/1196070421.db2.gz BGTOIYVOKYHTJF-ZFWWWQNUSA-N 2 2 319.836 3.361 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C2 ZINC001656908309 1196082312 /nfs/dbraw/zinc/08/23/12/1196082312.db2.gz FUUUHPYRASTVPS-FUHWJXTLSA-N 2 2 316.489 3.407 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3OCc4ccccc43)c2)c[nH+]1 ZINC001657140326 1196109554 /nfs/dbraw/zinc/10/95/54/1196109554.db2.gz POYQRDXQWVUISL-KRWDZBQOSA-N 2 2 311.410 3.295 20 0 DGADLP C[C@@H](CC[NH2+]Cc1c(Cl)nc2ccccn21)[NH+]1CCCCC1 ZINC001657153127 1196112236 /nfs/dbraw/zinc/11/22/36/1196112236.db2.gz SFKURZVTRIHBJK-AWEZNQCLSA-N 2 2 320.868 3.342 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3cccc(OCC[NH+](C)C)c3)n2c1 ZINC001657462636 1196144420 /nfs/dbraw/zinc/14/44/20/1196144420.db2.gz WDGXOQOBFISHOC-UHFFFAOYSA-N 2 2 324.428 3.195 20 0 DGADLP Cc1nn(C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001657627083 1196162289 /nfs/dbraw/zinc/16/22/89/1196162289.db2.gz HQTMNLDLBWRUEZ-LJQANCHMSA-N 2 2 323.444 3.073 20 0 DGADLP c1cn2cc(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)sc2n1 ZINC001657876539 1196190022 /nfs/dbraw/zinc/19/00/22/1196190022.db2.gz HBBZXHOUAXRCAY-INIZCTEOSA-N 2 2 323.425 3.123 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC001660272967 1196464675 /nfs/dbraw/zinc/46/46/75/1196464675.db2.gz UFRIMJGBVIYJBE-OKZBNKHCSA-N 2 2 308.510 3.434 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660361019 1196475111 /nfs/dbraw/zinc/47/51/11/1196475111.db2.gz ILQFVCDYBWSIDU-RDTXWAMCSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660361019 1196475115 /nfs/dbraw/zinc/47/51/15/1196475115.db2.gz ILQFVCDYBWSIDU-RDTXWAMCSA-N 2 2 308.441 3.387 20 0 DGADLP Cc1noc2ncc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc12 ZINC001661208507 1196581677 /nfs/dbraw/zinc/58/16/77/1196581677.db2.gz CNEHTVITXVRFMU-UHFFFAOYSA-N 2 2 319.368 3.007 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1Br ZINC001661391185 1196600691 /nfs/dbraw/zinc/60/06/91/1196600691.db2.gz LOFKWVLDJJJYGQ-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1Br ZINC001661391185 1196600694 /nfs/dbraw/zinc/60/06/94/1196600694.db2.gz LOFKWVLDJJJYGQ-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(OC)c(C(C)(C)C)c1)C[NH+](C)C ZINC001663246596 1196817071 /nfs/dbraw/zinc/81/70/71/1196817071.db2.gz UBGLJFQYWXTIHT-MRXNPFEDSA-N 2 2 322.493 3.049 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC(C)C ZINC001663672669 1196926173 /nfs/dbraw/zinc/92/61/73/1196926173.db2.gz SQBATEHJKPJOTF-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC(C)C ZINC001663672669 1196926175 /nfs/dbraw/zinc/92/61/75/1196926175.db2.gz SQBATEHJKPJOTF-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001665712523 1197179646 /nfs/dbraw/zinc/17/96/46/1197179646.db2.gz QJIFFHAXGYLCHA-OXJNMPFZSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001665712523 1197179648 /nfs/dbraw/zinc/17/96/48/1197179648.db2.gz QJIFFHAXGYLCHA-OXJNMPFZSA-N 2 2 315.505 3.068 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879913 1197210863 /nfs/dbraw/zinc/21/08/63/1197210863.db2.gz HMGJUHRMMBNKBH-IAGOWNOFSA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879913 1197210865 /nfs/dbraw/zinc/21/08/65/1197210865.db2.gz HMGJUHRMMBNKBH-IAGOWNOFSA-N 2 2 308.510 3.436 20 0 DGADLP CC/C=C/CC[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001670184537 1197524196 /nfs/dbraw/zinc/52/41/96/1197524196.db2.gz JHLNBBQOEVEWRC-BQYQJAHWSA-N 2 2 317.477 3.415 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390537935 1197712503 /nfs/dbraw/zinc/71/25/03/1197712503.db2.gz PSJLUQXJAPLBOY-AQNXPRMDSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390537935 1197712507 /nfs/dbraw/zinc/71/25/07/1197712507.db2.gz PSJLUQXJAPLBOY-AQNXPRMDSA-N 2 2 316.489 3.444 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000116379431 1199798111 /nfs/dbraw/zinc/79/81/11/1199798111.db2.gz QINZRKNJYLKXJG-GOSISDBHSA-N 3 2 314.477 3.328 20 0 DGADLP CCC(CC)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755239856 1200726242 /nfs/dbraw/zinc/72/62/42/1200726242.db2.gz HYPODWYYTIZFCW-CHWSQXEVSA-N 2 2 316.449 3.096 20 0 DGADLP CCCn1nc(C)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1C ZINC000133305588 1201189055 /nfs/dbraw/zinc/18/90/55/1201189055.db2.gz OPXQQERGNKLOGG-UHFFFAOYSA-N 2 2 323.444 3.385 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000136159051 1201209578 /nfs/dbraw/zinc/20/95/78/1201209578.db2.gz GZGVQUQUZOQXAO-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001698839914 1201493728 /nfs/dbraw/zinc/49/37/28/1201493728.db2.gz TUWHOOPGMANBGG-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC2CC2)CC(C)C)c(C)[nH+]1 ZINC001698874761 1201536305 /nfs/dbraw/zinc/53/63/05/1201536305.db2.gz GHBZODNNZVAUOA-QGZVFWFLSA-N 2 2 317.477 3.151 20 0 DGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CCCC1 ZINC001753089635 1202119334 /nfs/dbraw/zinc/11/93/34/1202119334.db2.gz YGKXTITWCKJPMH-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CCCC1 ZINC001753089635 1202119341 /nfs/dbraw/zinc/11/93/41/1202119341.db2.gz YGKXTITWCKJPMH-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC1CC(C)C1 ZINC001753482982 1202271106 /nfs/dbraw/zinc/27/11/06/1202271106.db2.gz KMVOBFFEQRJVPD-UAIPMZCESA-N 2 2 317.477 3.151 20 0 DGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713148752 1202622127 /nfs/dbraw/zinc/62/21/27/1202622127.db2.gz JDMKMFSGYSKOCH-KRWDZBQOSA-N 2 2 317.477 3.391 20 0 DGADLP CC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001714839865 1203147708 /nfs/dbraw/zinc/14/77/08/1203147708.db2.gz SXCSAWIRBNABSO-KRWDZBQOSA-N 2 2 311.429 3.087 20 0 DGADLP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715341867 1203319434 /nfs/dbraw/zinc/31/94/34/1203319434.db2.gz PCUZVVHIRRQQKM-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)CCC[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715869277 1203399500 /nfs/dbraw/zinc/39/95/00/1203399500.db2.gz PMXIIVUTXZMHRX-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP CC(C)CCC[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715869277 1203399502 /nfs/dbraw/zinc/39/95/02/1203399502.db2.gz PMXIIVUTXZMHRX-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715984037 1203416257 /nfs/dbraw/zinc/41/62/57/1203416257.db2.gz IPDYOYGTIPFRPL-QWGSZXSUSA-N 2 2 317.477 3.461 20 0 DGADLP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001724751954 1204043440 /nfs/dbraw/zinc/04/34/40/1204043440.db2.gz SPPRUJYSWPCGEK-QAQDUYKDSA-N 2 2 317.477 3.295 20 0 DGADLP CC(C)CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725089683 1204092411 /nfs/dbraw/zinc/09/24/11/1204092411.db2.gz GUGXBFFJNFZMPV-KBPBESRZSA-N 2 2 316.449 3.096 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000179430443 1204313669 /nfs/dbraw/zinc/31/36/69/1204313669.db2.gz AMFKBKGHOAGBSA-MRXNPFEDSA-N 2 2 309.457 3.364 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000179430443 1204313671 /nfs/dbraw/zinc/31/36/71/1204313671.db2.gz AMFKBKGHOAGBSA-MRXNPFEDSA-N 2 2 309.457 3.364 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000179430438 1204313864 /nfs/dbraw/zinc/31/38/64/1204313864.db2.gz AMFKBKGHOAGBSA-INIZCTEOSA-N 2 2 309.457 3.364 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000179430438 1204313868 /nfs/dbraw/zinc/31/38/68/1204313868.db2.gz AMFKBKGHOAGBSA-INIZCTEOSA-N 2 2 309.457 3.364 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001732716575 1204932736 /nfs/dbraw/zinc/93/27/36/1204932736.db2.gz WLKNTJQOEYZXEM-TVIZTDCDSA-N 2 2 317.477 3.151 20 0 DGADLP CC/C=C\CC[NH2+]C/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732881309 1204954113 /nfs/dbraw/zinc/95/41/13/1204954113.db2.gz LWJFNAJREXMTLF-IXWMQOLASA-N 2 2 315.461 3.239 20 0 DGADLP Cc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC001165047401 721977004 /nfs/dbraw/zinc/97/70/04/721977004.db2.gz GHIIJIYILKKSQU-QGZVFWFLSA-N 2 2 302.466 3.247 20 0 DGADLP Cc1[nH+]c2ccc(-n3nnc4ccc(C[NH3+])cc43)cc2n1C(C)C ZINC001170023897 1081920488 /nfs/dbraw/zinc/92/04/88/1081920488.db2.gz GCXTXESESRHCPW-UHFFFAOYSA-N 2 2 320.400 3.118 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)C3)CC2)c1 ZINC001170111829 1082111512 /nfs/dbraw/zinc/11/15/12/1082111512.db2.gz FJGPNVPHSKBRNF-MAUKXSAKSA-N 2 2 302.462 3.438 20 0 DGADLP Fc1cc(C[NH2+]Cc2cccc3c2OCC3)ccc1-n1cc[nH+]c1 ZINC001648910597 1082137555 /nfs/dbraw/zinc/13/75/55/1082137555.db2.gz DGGZQKLZNJCBNK-UHFFFAOYSA-N 2 2 323.371 3.236 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139731 1082183784 /nfs/dbraw/zinc/18/37/84/1082183784.db2.gz WMUMZYQZZNNIOY-WCVJEAGWSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139731 1082183786 /nfs/dbraw/zinc/18/37/86/1082183786.db2.gz WMUMZYQZZNNIOY-WCVJEAGWSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001170139731 1082183790 /nfs/dbraw/zinc/18/37/90/1082183790.db2.gz WMUMZYQZZNNIOY-WCVJEAGWSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001170139731 1082183793 /nfs/dbraw/zinc/18/37/93/1082183793.db2.gz WMUMZYQZZNNIOY-WCVJEAGWSA-N 2 2 305.491 3.228 20 0 DGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccsc4)C[C@H]3C2)c1 ZINC001204034543 1082262572 /nfs/dbraw/zinc/26/25/72/1082262572.db2.gz GYTQUISIYXQHRT-GJZGRUSLSA-N 2 2 304.484 3.373 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CCO1 ZINC001170176866 1082304149 /nfs/dbraw/zinc/30/41/49/1082304149.db2.gz BZGQDQFEKFNWOH-UFYCRDLUSA-N 2 2 316.489 3.241 20 0 DGADLP CCC1CCC([N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001167586199 1082565078 /nfs/dbraw/zinc/56/50/78/1082565078.db2.gz IVBFFEVNTKGNBU-UUKMXZOPSA-N 2 2 318.505 3.380 20 0 DGADLP CCC1CCC([N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001167586199 1082565082 /nfs/dbraw/zinc/56/50/82/1082565082.db2.gz IVBFFEVNTKGNBU-UUKMXZOPSA-N 2 2 318.505 3.380 20 0 DGADLP CCC1CCC([NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001167586199 1082565088 /nfs/dbraw/zinc/56/50/88/1082565088.db2.gz IVBFFEVNTKGNBU-UUKMXZOPSA-N 2 2 318.505 3.380 20 0 DGADLP CCC1CCC([NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001167586199 1082565092 /nfs/dbraw/zinc/56/50/92/1082565092.db2.gz IVBFFEVNTKGNBU-UUKMXZOPSA-N 2 2 318.505 3.380 20 0 DGADLP CSc1c[nH]c2nc[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)c12 ZINC001167625814 1082620521 /nfs/dbraw/zinc/62/05/21/1082620521.db2.gz PUGFHNBVRDBBTL-UHFFFAOYSA-N 2 2 319.478 3.165 20 0 DGADLP Cc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]c2c1cccc2C(C)C ZINC001170567675 1082687028 /nfs/dbraw/zinc/68/70/28/1082687028.db2.gz FDQZLUILVXEEJS-YOEHRIQHSA-N 2 2 313.445 3.455 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC2CCC(C)CC2)c(C)[nH+]1 ZINC001131560530 1082687621 /nfs/dbraw/zinc/68/76/21/1082687621.db2.gz RQMXNWOEPXJCIR-UHFFFAOYSA-N 2 2 317.477 3.153 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001170676963 1083086627 /nfs/dbraw/zinc/08/66/27/1083086627.db2.gz KEUOBKFYJOKPAV-IRXDYDNUSA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001170676963 1083086634 /nfs/dbraw/zinc/08/66/34/1083086634.db2.gz KEUOBKFYJOKPAV-IRXDYDNUSA-N 2 2 320.427 3.286 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134740458 1083326705 /nfs/dbraw/zinc/32/67/05/1083326705.db2.gz QEAIBDLFHFYQMV-ZIAGYGMSSA-N 2 2 314.433 3.016 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329278 1083575359 /nfs/dbraw/zinc/57/53/59/1083575359.db2.gz GMGXOIZQABGELV-QRQLOZEOSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329278 1083575370 /nfs/dbraw/zinc/57/53/70/1083575370.db2.gz GMGXOIZQABGELV-QRQLOZEOSA-N 3 2 315.505 3.017 20 0 DGADLP CSc1c[nH]c2nc[nH+]c(NCCC[N@@H+]3CCCC[C@@H]3C)c12 ZINC001167751068 1083621046 /nfs/dbraw/zinc/62/10/46/1083621046.db2.gz HDXSSZFQNJRTFA-LBPRGKRZSA-N 2 2 319.478 3.308 20 0 DGADLP CSc1c[nH]c2nc[nH+]c(NCCC[N@H+]3CCCC[C@@H]3C)c12 ZINC001167751068 1083621054 /nfs/dbraw/zinc/62/10/54/1083621054.db2.gz HDXSSZFQNJRTFA-LBPRGKRZSA-N 2 2 319.478 3.308 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cscc2Br)CC1 ZINC001205273443 1083960608 /nfs/dbraw/zinc/96/06/08/1083960608.db2.gz LBKGTDZYAPDLPZ-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001205273443 1083960615 /nfs/dbraw/zinc/96/06/15/1083960615.db2.gz LBKGTDZYAPDLPZ-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP CCOC(=O)[C@@H](CCCC(C)C)[NH2+]CC1CC[NH+](CC)CC1 ZINC001183767997 1084015281 /nfs/dbraw/zinc/01/52/81/1084015281.db2.gz FQCZVRYKMYOXOH-QGZVFWFLSA-N 2 2 312.498 3.066 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@]2(C)C1 ZINC001184064232 1084091593 /nfs/dbraw/zinc/09/15/93/1084091593.db2.gz CMCULFGDIIXXSE-BEFAXECRSA-N 2 2 314.404 3.469 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@]2(C)C1 ZINC001184064232 1084091605 /nfs/dbraw/zinc/09/16/05/1084091605.db2.gz CMCULFGDIIXXSE-BEFAXECRSA-N 2 2 314.404 3.469 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@]2(C)C1 ZINC001184064232 1084091619 /nfs/dbraw/zinc/09/16/19/1084091619.db2.gz CMCULFGDIIXXSE-BEFAXECRSA-N 2 2 314.404 3.469 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@]2(C)C1 ZINC001184064232 1084091632 /nfs/dbraw/zinc/09/16/32/1084091632.db2.gz CMCULFGDIIXXSE-BEFAXECRSA-N 2 2 314.404 3.469 20 0 DGADLP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268070070 1084098828 /nfs/dbraw/zinc/09/88/28/1084098828.db2.gz CMEQCPPBFOAAGP-AWEZNQCLSA-N 2 2 316.449 3.193 20 0 DGADLP CCc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184865422 1084282376 /nfs/dbraw/zinc/28/23/76/1084282376.db2.gz POEVHMGXTOXKPI-GJZGRUSLSA-N 2 2 304.482 3.381 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001187108019 1084752044 /nfs/dbraw/zinc/75/20/44/1084752044.db2.gz HAMGPARRXLAHSD-KRWDZBQOSA-N 2 2 322.456 3.350 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001187108019 1084752051 /nfs/dbraw/zinc/75/20/51/1084752051.db2.gz HAMGPARRXLAHSD-KRWDZBQOSA-N 2 2 322.456 3.350 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167964073 1085823597 /nfs/dbraw/zinc/82/35/97/1085823597.db2.gz MUYYYGVOSDHPII-FCLXEUQJSA-N 2 2 303.425 3.277 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167964073 1085823607 /nfs/dbraw/zinc/82/36/07/1085823607.db2.gz MUYYYGVOSDHPII-FCLXEUQJSA-N 2 2 303.425 3.277 20 0 DGADLP c1ccc2c(c1)onc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974379 1085914584 /nfs/dbraw/zinc/91/45/84/1085914584.db2.gz YNKGNJCCKSCSJG-MQVJKMGUSA-N 2 2 311.429 3.323 20 0 DGADLP c1ccc2c(c1)onc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974379 1085914597 /nfs/dbraw/zinc/91/45/97/1085914597.db2.gz YNKGNJCCKSCSJG-MQVJKMGUSA-N 2 2 311.429 3.323 20 0 DGADLP C[C@H]1CC([NH2+]C2CC[NH+](C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007347 1086161810 /nfs/dbraw/zinc/16/18/10/1086161810.db2.gz RMASUWUKIDEGFA-IRXDYDNUSA-N 3 2 315.505 3.112 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001271042088 1086262709 /nfs/dbraw/zinc/26/27/09/1086262709.db2.gz DEIYHBWMJIAKHS-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001271045332 1086264278 /nfs/dbraw/zinc/26/42/78/1086264278.db2.gz YDAAQKLCJDRZHY-VXKCQOAXSA-N 2 2 317.477 3.103 20 0 DGADLP CO[C@H]1C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001168041062 1086504874 /nfs/dbraw/zinc/50/48/74/1086504874.db2.gz QLSRGDPXNUBOGO-LTDCPUDJSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@H]1C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001168041062 1086504877 /nfs/dbraw/zinc/50/48/77/1086504877.db2.gz QLSRGDPXNUBOGO-LTDCPUDJSA-N 2 2 320.452 3.097 20 0 DGADLP C[C@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041775 1086510393 /nfs/dbraw/zinc/51/03/93/1086510393.db2.gz VHZARFCUNCMFJC-CPLUKWAASA-N 2 2 314.473 3.291 20 0 DGADLP C[C@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041775 1086510402 /nfs/dbraw/zinc/51/04/02/1086510402.db2.gz VHZARFCUNCMFJC-CPLUKWAASA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168042337 1086512498 /nfs/dbraw/zinc/51/24/98/1086512498.db2.gz ZAVVVXBXGNIORV-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168042337 1086512502 /nfs/dbraw/zinc/51/25/02/1086512502.db2.gz ZAVVVXBXGNIORV-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168042337 1086512510 /nfs/dbraw/zinc/51/25/10/1086512510.db2.gz ZAVVVXBXGNIORV-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168042337 1086512517 /nfs/dbraw/zinc/51/25/17/1086512517.db2.gz ZAVVVXBXGNIORV-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063693 1086648533 /nfs/dbraw/zinc/64/85/33/1086648533.db2.gz FDUWGNLQQVMWOE-FTRWYGJKSA-N 2 2 314.473 3.481 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063693 1086648534 /nfs/dbraw/zinc/64/85/34/1086648534.db2.gz FDUWGNLQQVMWOE-FTRWYGJKSA-N 2 2 314.473 3.481 20 0 DGADLP CC[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001088350798 1086846580 /nfs/dbraw/zinc/84/65/80/1086846580.db2.gz IUMBDIONHNQFFU-MRXNPFEDSA-N 2 2 303.450 3.001 20 0 DGADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)CC1 ZINC001168209205 1087057428 /nfs/dbraw/zinc/05/74/28/1087057428.db2.gz MQQVKTPKWFJDRO-QUDVFMAMSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)CC1 ZINC001168209205 1087057435 /nfs/dbraw/zinc/05/74/35/1087057435.db2.gz MQQVKTPKWFJDRO-QUDVFMAMSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(F)cc1Br)[NH+](C)C ZINC000697852537 1087344295 /nfs/dbraw/zinc/34/42/95/1087344295.db2.gz MRIHPDMMUFOXMI-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP Fc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168365772 1087388253 /nfs/dbraw/zinc/38/82/53/1087388253.db2.gz WOHSSZDKQWDEKT-GOSISDBHSA-N 2 2 303.425 3.136 20 0 DGADLP C[N@H+](CCC(=O)c1cccs1)C1CC[NH+](CC2CC2)CC1 ZINC001168389452 1087548554 /nfs/dbraw/zinc/54/85/54/1087548554.db2.gz QTHADGZGSLHTOQ-UHFFFAOYSA-N 2 2 306.475 3.127 20 0 DGADLP C[N@@H+](CCC(=O)c1cccs1)C1CC[NH+](CC2CC2)CC1 ZINC001168389452 1087548557 /nfs/dbraw/zinc/54/85/57/1087548557.db2.gz QTHADGZGSLHTOQ-UHFFFAOYSA-N 2 2 306.475 3.127 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394946 1087552261 /nfs/dbraw/zinc/55/22/61/1087552261.db2.gz ICELPSUUEQCYGS-GOSISDBHSA-N 2 2 312.457 3.066 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394946 1087552265 /nfs/dbraw/zinc/55/22/65/1087552265.db2.gz ICELPSUUEQCYGS-GOSISDBHSA-N 2 2 312.457 3.066 20 0 DGADLP C[C@@H]1C[C@H](Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)c2ccccc21 ZINC001158474735 1087852241 /nfs/dbraw/zinc/85/22/41/1087852241.db2.gz SXJVGLYSVIQCPS-QAPCUYQASA-N 2 2 322.456 3.494 20 0 DGADLP Cc1nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c(C)c(C)[nH+]1 ZINC001159031651 1088150603 /nfs/dbraw/zinc/15/06/03/1088150603.db2.gz LEHFPRXICAAJJI-UHFFFAOYSA-N 2 2 308.429 3.001 20 0 DGADLP C[C@H]1C[N@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@H]1C[NH3+] ZINC001205140790 1088245450 /nfs/dbraw/zinc/24/54/50/1088245450.db2.gz OOVLSVUOVHUKID-VHSXEESVSA-N 2 2 316.902 3.034 20 0 DGADLP C[C@H]1C[N@@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@H]1C[NH3+] ZINC001205140790 1088245462 /nfs/dbraw/zinc/24/54/62/1088245462.db2.gz OOVLSVUOVHUKID-VHSXEESVSA-N 2 2 316.902 3.034 20 0 DGADLP C[C@H](Cc1cccc(F)c1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001168500628 1088378440 /nfs/dbraw/zinc/37/84/40/1088378440.db2.gz KTHJJIHOUGXHPT-OAHLLOKOSA-N 2 2 313.420 3.410 20 0 DGADLP Cc1cc(Nc2cccc3cc[nH+]cc32)cnc1N1CC[NH2+]CC1 ZINC001159563323 1088395237 /nfs/dbraw/zinc/39/52/37/1088395237.db2.gz CELHLUNJWKZWOZ-UHFFFAOYSA-N 2 2 319.412 3.091 20 0 DGADLP COc1cc(Nc2ccc(OC3CC[NH2+]CC3)cc2)cc(C)[nH+]1 ZINC001159622328 1088422866 /nfs/dbraw/zinc/42/28/66/1088422866.db2.gz KHCKGAWJNJZNHM-UHFFFAOYSA-N 2 2 313.401 3.273 20 0 DGADLP COc1cc[nH+]c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1 ZINC001159652248 1088435003 /nfs/dbraw/zinc/43/50/03/1088435003.db2.gz VWDZFCXGWLYKHS-KRWDZBQOSA-N 2 2 311.429 3.209 20 0 DGADLP [NH3+]CCOc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001159686702 1088446490 /nfs/dbraw/zinc/44/64/90/1088446490.db2.gz OVWALQKNTMCXGF-UHFFFAOYSA-N 2 2 312.417 3.153 20 0 DGADLP COc1cc(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)cc(C)[nH+]1 ZINC001159986807 1088588698 /nfs/dbraw/zinc/58/86/98/1088588698.db2.gz OKDAJZGMDUGGHO-CQSZACIVSA-N 2 2 312.417 3.070 20 0 DGADLP CCc1nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)cc(C)[nH+]1 ZINC001160012130 1088600549 /nfs/dbraw/zinc/60/05/49/1088600549.db2.gz KWRSYNOXWHXMKO-ZDUSSCGKSA-N 2 2 308.429 3.489 20 0 DGADLP CN(C)c1ccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC001160232499 1088712804 /nfs/dbraw/zinc/71/28/04/1088712804.db2.gz CVVQCICFMXJVMC-HNNXBMFYSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1cc(Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)ccc1[NH+](C)C ZINC001160394663 1088781043 /nfs/dbraw/zinc/78/10/43/1088781043.db2.gz LSHVEHZMKUOACR-KSSFIOAISA-N 2 2 309.413 3.252 20 0 DGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001160528404 1088850647 /nfs/dbraw/zinc/85/06/47/1088850647.db2.gz OMGLAYZPULFDTG-MRXNPFEDSA-N 2 2 322.497 3.002 20 0 DGADLP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001483938766 1089021537 /nfs/dbraw/zinc/02/15/37/1089021537.db2.gz ZRWBFJRDYLIFGM-KRWDZBQOSA-N 2 2 317.477 3.391 20 0 DGADLP CC(C)(C)C(=O)C[NH+]1CCC(Nc2ccc3c([nH+]2)CCC3)CC1 ZINC001161119100 1089123819 /nfs/dbraw/zinc/12/38/19/1089123819.db2.gz UUWSVURPPJQIGY-UHFFFAOYSA-N 2 2 315.461 3.062 20 0 DGADLP Cc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C2CCCCC2)[nH+]1 ZINC001155587970 1089176258 /nfs/dbraw/zinc/17/62/58/1089176258.db2.gz JMNBUPJYJVRLMZ-PMPSAXMXSA-N 2 2 300.450 3.243 20 0 DGADLP Cc1cc(C)cc(CNc2cccc(N3CC[NH+](C)CC3)[nH+]2)c1 ZINC001155898321 1089293280 /nfs/dbraw/zinc/29/32/80/1089293280.db2.gz WEJOBJOGKQVDOG-UHFFFAOYSA-N 2 2 310.445 3.062 20 0 DGADLP Cc1cc(NCc2cccnc2C2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC001156001610 1089338606 /nfs/dbraw/zinc/33/86/06/1089338606.db2.gz VZPKNZRBVUKNLD-UHFFFAOYSA-N 2 2 323.444 3.137 20 0 DGADLP COc1ccc2[nH+]c(NCc3ccc(N)[nH+]c3C)cc(C)c2c1 ZINC001156981233 1089777317 /nfs/dbraw/zinc/77/73/17/1089777317.db2.gz VIGMASPRHGXHIO-UHFFFAOYSA-N 2 2 308.385 3.450 20 0 DGADLP CC(C)n1ccc2c1nc[nH+]c2NCC[C@H]1CC[NH2+]CC1(F)F ZINC001162813485 1089970543 /nfs/dbraw/zinc/97/05/43/1089970543.db2.gz VTESYCNLYDVADG-GFCCVEGCSA-N 2 2 323.391 3.059 20 0 DGADLP Cc1ccc2c(c1)[C@@H](Nc1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001162824261 1089980341 /nfs/dbraw/zinc/98/03/41/1089980341.db2.gz QVGDCMRLWKDBCG-SFHVURJKSA-N 2 2 322.456 3.241 20 0 DGADLP CCC(CC)C[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162909531 1090019714 /nfs/dbraw/zinc/01/97/14/1090019714.db2.gz AKPJISOVNFWVQA-UHFFFAOYSA-N 2 2 305.466 3.153 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(NCC[C@@H]2CCOC23C[NH2+]C3)c1 ZINC001163095494 1090075115 /nfs/dbraw/zinc/07/51/15/1090075115.db2.gz IHBVRNMSHIBTLI-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CCCN1c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001157744601 1090094331 /nfs/dbraw/zinc/09/43/31/1090094331.db2.gz LLIBOPUIHUNBNX-RHSMWYFYSA-N 2 2 310.445 3.151 20 0 DGADLP C[C@@H]1[C@@H]([NH3+])CCCN1c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001157744599 1090094948 /nfs/dbraw/zinc/09/49/48/1090094948.db2.gz LLIBOPUIHUNBNX-PBHICJAKSA-N 2 2 310.445 3.151 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001163164476 1090096992 /nfs/dbraw/zinc/09/69/92/1090096992.db2.gz VSBZMRUFMKOGTJ-QRVBRYPASA-N 2 2 323.440 3.093 20 0 DGADLP CCCN(CCC)c1cc(N[C@H](C[NH3+])c2ccccc2)nc[nH+]1 ZINC001163297726 1090142254 /nfs/dbraw/zinc/14/22/54/1090142254.db2.gz KXGMYAHHSDJSJJ-MRXNPFEDSA-N 2 2 313.449 3.215 20 0 DGADLP C[NH+]1CCN(c2cccc(NCCC3=CCCCC3)[nH+]2)CC1 ZINC001157949027 1090156611 /nfs/dbraw/zinc/15/66/11/1090156611.db2.gz YUZUPSWMQQHSLP-UHFFFAOYSA-N 2 2 300.450 3.136 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3C)c2c1C ZINC001163366161 1090164829 /nfs/dbraw/zinc/16/48/29/1090164829.db2.gz RZXFVABVNBCTJG-SMDDNHRTSA-N 2 2 301.438 3.105 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@H+](C(C)C)C[C@@H]3C)c2c1C ZINC001163366161 1090164834 /nfs/dbraw/zinc/16/48/34/1090164834.db2.gz RZXFVABVNBCTJG-SMDDNHRTSA-N 2 2 301.438 3.105 20 0 DGADLP CCc1cc(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC001164009054 1090316473 /nfs/dbraw/zinc/31/64/73/1090316473.db2.gz TZMUCZHMGQQNBT-HNNXBMFYSA-N 2 2 310.445 3.231 20 0 DGADLP Cc1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164625044 1090449656 /nfs/dbraw/zinc/44/96/56/1090449656.db2.gz GOZRPKNHQUGKSD-KRWDZBQOSA-N 2 2 324.472 3.103 20 0 DGADLP CCc1nc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001165091306 1090464336 /nfs/dbraw/zinc/46/43/36/1090464336.db2.gz ZQBGCTUKXUEXPX-ROUUACIJSA-N 2 2 322.456 3.058 20 0 DGADLP CCc1nc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001165091306 1090464340 /nfs/dbraw/zinc/46/43/40/1090464340.db2.gz ZQBGCTUKXUEXPX-ROUUACIJSA-N 2 2 322.456 3.058 20 0 DGADLP COc1cc[nH+]c(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001165200524 1090478568 /nfs/dbraw/zinc/47/85/68/1090478568.db2.gz FAZQOSHHRXZINZ-JKSUJKDBSA-N 2 2 311.429 3.189 20 0 DGADLP COc1cc[nH+]c(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001165200524 1090478572 /nfs/dbraw/zinc/47/85/72/1090478572.db2.gz FAZQOSHHRXZINZ-JKSUJKDBSA-N 2 2 311.429 3.189 20 0 DGADLP CCc1cc(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC001165201329 1090478925 /nfs/dbraw/zinc/47/89/25/1090478925.db2.gz GTFAMWBCZQEJCT-CVEARBPZSA-N 2 2 324.472 3.447 20 0 DGADLP CCc1cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC001165201329 1090478927 /nfs/dbraw/zinc/47/89/27/1090478927.db2.gz GTFAMWBCZQEJCT-CVEARBPZSA-N 2 2 324.472 3.447 20 0 DGADLP COc1ccc2[nH+]c(N3CCC4(CC([NH3+])C4)CC3)cc(C)c2c1 ZINC001165243646 1090487290 /nfs/dbraw/zinc/48/72/90/1090487290.db2.gz NXDTVBPLGBPWHM-UHFFFAOYSA-N 2 2 311.429 3.260 20 0 DGADLP Cc1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC001165324134 1090503776 /nfs/dbraw/zinc/50/37/76/1090503776.db2.gz VHZQFPCYWVQMOZ-INIZCTEOSA-N 2 2 302.466 3.267 20 0 DGADLP Cc1cccc2c(C)cc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)[nH+]c12 ZINC001165427226 1090520738 /nfs/dbraw/zinc/52/07/38/1090520738.db2.gz MODWJSHAFCAFSX-ZBFHGGJFSA-N 2 2 313.420 3.365 20 0 DGADLP [NH3+]C1([C@H]2CN(c3[nH+]ccc4cc(Cl)ccc43)C[C@@H]2CF)CC1 ZINC001165434546 1090521954 /nfs/dbraw/zinc/52/19/54/1090521954.db2.gz ZSQORQVIKWYZII-WFASDCNBSA-N 2 2 319.811 3.401 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531836 1090627440 /nfs/dbraw/zinc/62/74/40/1090627440.db2.gz JWQJJQKBHDIDLC-PMACEKPBSA-N 3 2 315.505 3.113 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001203956367 1090849820 /nfs/dbraw/zinc/84/98/20/1090849820.db2.gz VRNHWRBOXCARAY-UHFFFAOYSA-N 2 2 306.425 3.094 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001203991585 1090861058 /nfs/dbraw/zinc/86/10/58/1090861058.db2.gz PXQQSRVYHDZSGQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001203991585 1090861064 /nfs/dbraw/zinc/86/10/64/1090861064.db2.gz PXQQSRVYHDZSGQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001203991585 1090861070 /nfs/dbraw/zinc/86/10/70/1090861070.db2.gz PXQQSRVYHDZSGQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001203991585 1090861077 /nfs/dbraw/zinc/86/10/77/1090861077.db2.gz PXQQSRVYHDZSGQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@H]2C1 ZINC001204089086 1090898037 /nfs/dbraw/zinc/89/80/37/1090898037.db2.gz KJDDFYRFKTXBLQ-INTQDDNPSA-N 2 2 305.274 3.485 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@H]2C1 ZINC001204089086 1090898044 /nfs/dbraw/zinc/89/80/44/1090898044.db2.gz KJDDFYRFKTXBLQ-INTQDDNPSA-N 2 2 305.274 3.485 20 0 DGADLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001204090052 1090898403 /nfs/dbraw/zinc/89/84/03/1090898403.db2.gz AXSOOJDCEYDSKB-HZPDHXFCSA-N 2 2 314.454 3.018 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)cc1 ZINC001204177643 1090915528 /nfs/dbraw/zinc/91/55/28/1090915528.db2.gz AOILDQRFNFIXIL-FQEVSTJZSA-N 2 2 316.489 3.324 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)cc1 ZINC001204177643 1090915532 /nfs/dbraw/zinc/91/55/32/1090915532.db2.gz AOILDQRFNFIXIL-FQEVSTJZSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC001204217559 1090925398 /nfs/dbraw/zinc/92/53/98/1090925398.db2.gz PSUMTEZPCHWNIW-UHFFFAOYSA-N 2 2 317.383 3.407 20 0 DGADLP Cc1cc(C)c(Nc2cccc(CC[NH+]3CCOCC3)c2)c[nH+]1 ZINC001204333869 1090950109 /nfs/dbraw/zinc/95/01/09/1090950109.db2.gz QYQCVJROYGQQJD-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1C ZINC001204351212 1090953962 /nfs/dbraw/zinc/95/39/62/1090953962.db2.gz IABFDIICAPUSQI-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1C ZINC001204351212 1090953968 /nfs/dbraw/zinc/95/39/68/1090953968.db2.gz IABFDIICAPUSQI-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1C ZINC001204351212 1090953973 /nfs/dbraw/zinc/95/39/73/1090953973.db2.gz IABFDIICAPUSQI-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1C ZINC001204351212 1090953977 /nfs/dbraw/zinc/95/39/77/1090953977.db2.gz IABFDIICAPUSQI-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001204419443 1090964821 /nfs/dbraw/zinc/96/48/21/1090964821.db2.gz ZNJBLJLWQMGSSV-UHFFFAOYSA-N 2 2 314.351 3.255 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1OC(F)(F)F ZINC001204432353 1090967977 /nfs/dbraw/zinc/96/79/77/1090967977.db2.gz YUDQCVSODYJXDK-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1OC(F)(F)F ZINC001204432353 1090967984 /nfs/dbraw/zinc/96/79/84/1090967984.db2.gz YUDQCVSODYJXDK-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001204441705 1090969797 /nfs/dbraw/zinc/96/97/97/1090969797.db2.gz GKDITTSGMULXDO-UHFFFAOYSA-N 2 2 313.854 3.032 20 0 DGADLP Cc1ccc(C)c(Nc2cccc(CN3CC[NH+](C)CC3)c2)[nH+]1 ZINC001204504063 1090984845 /nfs/dbraw/zinc/98/48/45/1090984845.db2.gz WJBDYJMZMWSPLA-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3c4ccccc4oc32)CC1 ZINC001168736471 1091024642 /nfs/dbraw/zinc/02/46/42/1091024642.db2.gz HNKRJRHVNYCNKX-UHFFFAOYSA-N 2 2 308.385 3.180 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204810302 1091040992 /nfs/dbraw/zinc/04/09/92/1091040992.db2.gz RMAQVRICXZRURF-LJQANCHMSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204810302 1091040997 /nfs/dbraw/zinc/04/09/97/1091040997.db2.gz RMAQVRICXZRURF-LJQANCHMSA-N 2 2 314.404 3.424 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c2c(OC)cccc12 ZINC001204925289 1091063974 /nfs/dbraw/zinc/06/39/74/1091063974.db2.gz OYZIFXQRFLFZGS-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c2c(OC)cccc12 ZINC001204925289 1091063981 /nfs/dbraw/zinc/06/39/81/1091063981.db2.gz OYZIFXQRFLFZGS-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(-c2ccccc2)cn1 ZINC001205087619 1091098775 /nfs/dbraw/zinc/09/87/75/1091098775.db2.gz GDULPBISQJBSCH-YOEHRIQHSA-N 2 2 311.429 3.069 20 0 DGADLP COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(-c2ccccc2)cn1 ZINC001205087619 1091098782 /nfs/dbraw/zinc/09/87/82/1091098782.db2.gz GDULPBISQJBSCH-YOEHRIQHSA-N 2 2 311.429 3.069 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001205110081 1091104442 /nfs/dbraw/zinc/10/44/42/1091104442.db2.gz OEAPNRDPTXPHPV-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001205110081 1091104445 /nfs/dbraw/zinc/10/44/45/1091104445.db2.gz OEAPNRDPTXPHPV-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205124410 1091107821 /nfs/dbraw/zinc/10/78/21/1091107821.db2.gz QMBULBIJQYRENF-AWEZNQCLSA-N 2 2 316.367 3.417 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205124410 1091107823 /nfs/dbraw/zinc/10/78/23/1091107823.db2.gz QMBULBIJQYRENF-AWEZNQCLSA-N 2 2 316.367 3.417 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205145889 1091112714 /nfs/dbraw/zinc/11/27/14/1091112714.db2.gz LLSAETFUFSUMQU-CMPLNLGQSA-N 2 2 317.260 3.419 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205145889 1091112715 /nfs/dbraw/zinc/11/27/15/1091112715.db2.gz LLSAETFUFSUMQU-CMPLNLGQSA-N 2 2 317.260 3.419 20 0 DGADLP COCC[N@H+](Cc1cc2cc(C)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001138415999 1091175710 /nfs/dbraw/zinc/17/57/10/1091175710.db2.gz PVHWUFRYXVNVDR-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COCC[N@@H+](Cc1cc2cc(C)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001138415999 1091175717 /nfs/dbraw/zinc/17/57/17/1091175717.db2.gz PVHWUFRYXVNVDR-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001205340471 1091193268 /nfs/dbraw/zinc/19/32/68/1091193268.db2.gz UBPNVJRLBPYZAL-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001205340471 1091193277 /nfs/dbraw/zinc/19/32/77/1091193277.db2.gz UBPNVJRLBPYZAL-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138488972 1091201206 /nfs/dbraw/zinc/20/12/06/1091201206.db2.gz KEUXVGQOAYAPKH-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138488972 1091201226 /nfs/dbraw/zinc/20/12/26/1091201226.db2.gz KEUXVGQOAYAPKH-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205375860 1091205205 /nfs/dbraw/zinc/20/52/05/1091205205.db2.gz ABMMZXYRTUNXFC-VQIMIIECSA-N 2 2 318.505 3.083 20 0 DGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205375860 1091205215 /nfs/dbraw/zinc/20/52/15/1091205215.db2.gz ABMMZXYRTUNXFC-VQIMIIECSA-N 2 2 318.505 3.083 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC001138508971 1091210497 /nfs/dbraw/zinc/21/04/97/1091210497.db2.gz FGPDCZMORQDSAC-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP CCCc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)s1 ZINC001138525836 1091214169 /nfs/dbraw/zinc/21/41/69/1091214169.db2.gz KVYQOSXOFAYPOK-UHFFFAOYSA-N 2 2 310.507 3.243 20 0 DGADLP CCCc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)s1 ZINC001138525836 1091214183 /nfs/dbraw/zinc/21/41/83/1091214183.db2.gz KVYQOSXOFAYPOK-UHFFFAOYSA-N 2 2 310.507 3.243 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205430413 1091219868 /nfs/dbraw/zinc/21/98/68/1091219868.db2.gz OXSAJXOQDNGFCW-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205430413 1091219879 /nfs/dbraw/zinc/21/98/79/1091219879.db2.gz OXSAJXOQDNGFCW-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3ncc(C)cc3C2)cc1 ZINC001138550421 1091225027 /nfs/dbraw/zinc/22/50/27/1091225027.db2.gz SJBRZQQDZCUBDZ-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3ncc(C)cc3C2)cc1 ZINC001138550421 1091225037 /nfs/dbraw/zinc/22/50/37/1091225037.db2.gz SJBRZQQDZCUBDZ-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001138547926 1091226318 /nfs/dbraw/zinc/22/63/18/1091226318.db2.gz WVWIVOJTKPSEHT-HXUWFJFHSA-N 2 2 324.472 3.241 20 0 DGADLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)s1 ZINC001138568167 1091233752 /nfs/dbraw/zinc/23/37/52/1091233752.db2.gz UXGIDBFYWMBZNG-UHFFFAOYSA-N 2 2 316.474 3.094 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001205589231 1091267888 /nfs/dbraw/zinc/26/78/88/1091267888.db2.gz ORZINYIUTCUDQD-QGZVFWFLSA-N 2 2 316.376 3.273 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001205589231 1091267895 /nfs/dbraw/zinc/26/78/95/1091267895.db2.gz ORZINYIUTCUDQD-QGZVFWFLSA-N 2 2 316.376 3.273 20 0 DGADLP CSc1ncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001138709330 1091293327 /nfs/dbraw/zinc/29/33/27/1091293327.db2.gz RZXSIRZLAQKMJM-UHFFFAOYSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1ncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001138709330 1091293333 /nfs/dbraw/zinc/29/33/33/1091293333.db2.gz RZXSIRZLAQKMJM-UHFFFAOYSA-N 2 2 320.506 3.037 20 0 DGADLP COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(C)c1C ZINC001138727913 1091305465 /nfs/dbraw/zinc/30/54/65/1091305465.db2.gz XCSKWTRPNFBHLT-AEFFLSMTSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(C)c1C ZINC001138727913 1091305478 /nfs/dbraw/zinc/30/54/78/1091305478.db2.gz XCSKWTRPNFBHLT-AEFFLSMTSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(C)c1C ZINC001138727913 1091305487 /nfs/dbraw/zinc/30/54/87/1091305487.db2.gz XCSKWTRPNFBHLT-AEFFLSMTSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(C)c1C ZINC001138727913 1091305494 /nfs/dbraw/zinc/30/54/94/1091305494.db2.gz XCSKWTRPNFBHLT-AEFFLSMTSA-N 2 2 302.462 3.146 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(N(CC)CC)s1 ZINC001138802722 1091335730 /nfs/dbraw/zinc/33/57/30/1091335730.db2.gz MWOFFBLEBNLTET-UHFFFAOYSA-N 2 2 312.527 3.153 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(N(CC)CC)s1 ZINC001138802722 1091335739 /nfs/dbraw/zinc/33/57/39/1091335739.db2.gz MWOFFBLEBNLTET-UHFFFAOYSA-N 2 2 312.527 3.153 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)CCC1(F)F ZINC001205764608 1091336698 /nfs/dbraw/zinc/33/66/98/1091336698.db2.gz XQTVUEBZVYJJHN-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CCC1(F)F ZINC001205764608 1091336710 /nfs/dbraw/zinc/33/67/10/1091336710.db2.gz XQTVUEBZVYJJHN-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3cc(Cl)ccc3[nH]2)CCC1(F)F ZINC001205764609 1091337406 /nfs/dbraw/zinc/33/74/06/1091337406.db2.gz XQTVUEBZVYJJHN-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3cc(Cl)ccc3[nH]2)CCC1(F)F ZINC001205764609 1091337414 /nfs/dbraw/zinc/33/74/14/1091337414.db2.gz XQTVUEBZVYJJHN-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205788892 1091348813 /nfs/dbraw/zinc/34/88/13/1091348813.db2.gz STEIJZXYMWDWFV-HNNXBMFYSA-N 2 2 312.404 3.198 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205788892 1091348823 /nfs/dbraw/zinc/34/88/23/1091348823.db2.gz STEIJZXYMWDWFV-HNNXBMFYSA-N 2 2 312.404 3.198 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205795194 1091351193 /nfs/dbraw/zinc/35/11/93/1091351193.db2.gz DMJOVONMTKMLRM-LBPRGKRZSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205795194 1091351206 /nfs/dbraw/zinc/35/12/06/1091351206.db2.gz DMJOVONMTKMLRM-LBPRGKRZSA-N 2 2 302.796 3.373 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827056 1091367473 /nfs/dbraw/zinc/36/74/73/1091367473.db2.gz FZHGVVPXSUBCKD-YOEHRIQHSA-N 2 2 318.461 3.201 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827056 1091367480 /nfs/dbraw/zinc/36/74/80/1091367480.db2.gz FZHGVVPXSUBCKD-YOEHRIQHSA-N 2 2 318.461 3.201 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829908 1091371074 /nfs/dbraw/zinc/37/10/74/1091371074.db2.gz QCCRRZGGAFSLML-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829908 1091371084 /nfs/dbraw/zinc/37/10/84/1091371084.db2.gz QCCRRZGGAFSLML-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Br ZINC001205901036 1091400252 /nfs/dbraw/zinc/40/02/52/1091400252.db2.gz ASKDYBMROABIEZ-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Br ZINC001205901036 1091400256 /nfs/dbraw/zinc/40/02/56/1091400256.db2.gz ASKDYBMROABIEZ-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)c(OCC)c1 ZINC001138978376 1091405389 /nfs/dbraw/zinc/40/53/89/1091405389.db2.gz WJQSKBLNODRFIY-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c(OCC)c1 ZINC001138978376 1091405394 /nfs/dbraw/zinc/40/53/94/1091405394.db2.gz WJQSKBLNODRFIY-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001139052766 1091430859 /nfs/dbraw/zinc/43/08/59/1091430859.db2.gz NOPATGTYVZFCNL-MSOLQXFVSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001139052766 1091430864 /nfs/dbraw/zinc/43/08/64/1091430864.db2.gz NOPATGTYVZFCNL-MSOLQXFVSA-N 2 2 316.489 3.387 20 0 DGADLP Clc1cc(C[NH2+][C@@H]2CC23CC3)ccc1OCCn1cc[nH+]c1 ZINC001202902090 1091467118 /nfs/dbraw/zinc/46/71/18/1091467118.db2.gz JKLRJZGMPHPSSM-MRXNPFEDSA-N 2 2 317.820 3.258 20 0 DGADLP COCC[N@H+](Cc1c[nH]c2cccc(C)c12)C1CC[NH+](C)CC1 ZINC001139197122 1091484190 /nfs/dbraw/zinc/48/41/90/1091484190.db2.gz GJDJUKVRVPCEEW-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COCC[N@@H+](Cc1c[nH]c2cccc(C)c12)C1CC[NH+](C)CC1 ZINC001139197122 1091484192 /nfs/dbraw/zinc/48/41/92/1091484192.db2.gz GJDJUKVRVPCEEW-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP CCCCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360434 1091534602 /nfs/dbraw/zinc/53/46/02/1091534602.db2.gz VIGAHKDREIUEDM-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c2ccccc12 ZINC001206269394 1091558179 /nfs/dbraw/zinc/55/81/79/1091558179.db2.gz LQIYAYHYTRLBRV-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CCC[NH2+]C[C@@H]2C)c2ccccc12 ZINC001206269394 1091558186 /nfs/dbraw/zinc/55/81/86/1091558186.db2.gz LQIYAYHYTRLBRV-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001206284419 1091562042 /nfs/dbraw/zinc/56/20/42/1091562042.db2.gz DBLGQDACERFXHW-CQSZACIVSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001206284419 1091562046 /nfs/dbraw/zinc/56/20/46/1091562046.db2.gz DBLGQDACERFXHW-CQSZACIVSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2csc(C(F)(F)F)n2)CC1 ZINC001206310710 1091572984 /nfs/dbraw/zinc/57/29/84/1091572984.db2.gz AKICMWFMMPKDPX-GFCCVEGCSA-N 2 2 307.385 3.113 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2csc(C(F)(F)F)n2)CC1 ZINC001206310710 1091572990 /nfs/dbraw/zinc/57/29/90/1091572990.db2.gz AKICMWFMMPKDPX-GFCCVEGCSA-N 2 2 307.385 3.113 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001206352056 1091590744 /nfs/dbraw/zinc/59/07/44/1091590744.db2.gz MWXWGULPTXLCOI-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001206352056 1091590747 /nfs/dbraw/zinc/59/07/47/1091590747.db2.gz MWXWGULPTXLCOI-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1C(C)C ZINC001206352225 1091591941 /nfs/dbraw/zinc/59/19/41/1091591941.db2.gz RMNJENAWZPYXPF-SFHVURJKSA-N 2 2 308.441 3.472 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1C(C)C ZINC001206352225 1091591946 /nfs/dbraw/zinc/59/19/46/1091591946.db2.gz RMNJENAWZPYXPF-SFHVURJKSA-N 2 2 308.441 3.472 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Cl)ccn2)CC1 ZINC001139562083 1091602915 /nfs/dbraw/zinc/60/29/15/1091602915.db2.gz NVVKFOFVSIDKCI-UHFFFAOYSA-N 2 2 316.836 3.177 20 0 DGADLP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1cnc2ccccn12 ZINC001206396319 1091615439 /nfs/dbraw/zinc/61/54/39/1091615439.db2.gz JYUFKOSTGLXZCP-UHFFFAOYSA-N 2 2 300.450 3.079 20 0 DGADLP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1cnc2ccccn12 ZINC001206396319 1091615448 /nfs/dbraw/zinc/61/54/48/1091615448.db2.gz JYUFKOSTGLXZCP-UHFFFAOYSA-N 2 2 300.450 3.079 20 0 DGADLP CCC1(C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)COC1 ZINC001202966369 1091660009 /nfs/dbraw/zinc/66/00/09/1091660009.db2.gz VXUGITLUILTYOS-UHFFFAOYSA-N 2 2 320.452 3.149 20 0 DGADLP CCC1(C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)COC1 ZINC001202966369 1091660015 /nfs/dbraw/zinc/66/00/15/1091660015.db2.gz VXUGITLUILTYOS-UHFFFAOYSA-N 2 2 320.452 3.149 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001206584501 1091678333 /nfs/dbraw/zinc/67/83/33/1091678333.db2.gz ZIOKCLMAVULKQT-QGZVFWFLSA-N 2 2 316.474 3.156 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001206584501 1091678338 /nfs/dbraw/zinc/67/83/38/1091678338.db2.gz ZIOKCLMAVULKQT-QGZVFWFLSA-N 2 2 316.474 3.156 20 0 DGADLP CCOc1nccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206582728 1091678447 /nfs/dbraw/zinc/67/84/47/1091678447.db2.gz PCPYQSFVSLPNSE-MRXNPFEDSA-N 2 2 311.857 3.085 20 0 DGADLP CCOc1nccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Cl ZINC001206582728 1091678456 /nfs/dbraw/zinc/67/84/56/1091678456.db2.gz PCPYQSFVSLPNSE-MRXNPFEDSA-N 2 2 311.857 3.085 20 0 DGADLP CC(C)Oc1c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccc(F)c1F ZINC001206647158 1091696256 /nfs/dbraw/zinc/69/62/56/1091696256.db2.gz FXDPQLCPDVVKNB-ZDUSSCGKSA-N 2 2 312.404 3.313 20 0 DGADLP CC(C)Oc1c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc(F)c1F ZINC001206647158 1091696261 /nfs/dbraw/zinc/69/62/61/1091696261.db2.gz FXDPQLCPDVVKNB-ZDUSSCGKSA-N 2 2 312.404 3.313 20 0 DGADLP COCC[N@H+](Cc1ccccc1C1CC1)C1CC[NH+](C)CC1 ZINC001139882202 1091702579 /nfs/dbraw/zinc/70/25/79/1091702579.db2.gz IJTSVDZRIYVLEM-UHFFFAOYSA-N 2 2 302.462 3.107 20 0 DGADLP COCC[N@@H+](Cc1ccccc1C1CC1)C1CC[NH+](C)CC1 ZINC001139882202 1091702582 /nfs/dbraw/zinc/70/25/82/1091702582.db2.gz IJTSVDZRIYVLEM-UHFFFAOYSA-N 2 2 302.462 3.107 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001206736343 1091718196 /nfs/dbraw/zinc/71/81/96/1091718196.db2.gz CMRYPBARQNZFQZ-UHFFFAOYSA-N 2 2 302.368 3.412 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001206781853 1091738749 /nfs/dbraw/zinc/73/87/49/1091738749.db2.gz JSLLGCINJCPGJI-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001206781853 1091738757 /nfs/dbraw/zinc/73/87/57/1091738757.db2.gz JSLLGCINJCPGJI-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140019175 1091739560 /nfs/dbraw/zinc/73/95/60/1091739560.db2.gz XVQKLWUBMWQYPV-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001140020999 1091740556 /nfs/dbraw/zinc/74/05/56/1091740556.db2.gz GXTVTYVHRWSNIW-DNVCBOLYSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001140020999 1091740558 /nfs/dbraw/zinc/74/05/58/1091740558.db2.gz GXTVTYVHRWSNIW-DNVCBOLYSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)O[C@H](C)c2ccccc23)n1C ZINC001206796496 1091743408 /nfs/dbraw/zinc/74/34/08/1091743408.db2.gz AUHVURHCHKUBKP-CQSZACIVSA-N 2 2 311.429 3.311 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)O[C@@H](C)c2ccccc23)n1C ZINC001206796495 1091744233 /nfs/dbraw/zinc/74/42/33/1091744233.db2.gz AUHVURHCHKUBKP-AWEZNQCLSA-N 2 2 311.429 3.311 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001140029025 1091744466 /nfs/dbraw/zinc/74/44/66/1091744466.db2.gz GWPZFWUAHODIFS-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC001140029025 1091744468 /nfs/dbraw/zinc/74/44/68/1091744468.db2.gz GWPZFWUAHODIFS-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810080 1091749917 /nfs/dbraw/zinc/74/99/17/1091749917.db2.gz MZMXBUWUEBJWFS-OLZOCXBDSA-N 2 2 312.404 3.311 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206810080 1091749924 /nfs/dbraw/zinc/74/99/24/1091749924.db2.gz MZMXBUWUEBJWFS-OLZOCXBDSA-N 2 2 312.404 3.311 20 0 DGADLP Cc1ccnc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001206846494 1091767384 /nfs/dbraw/zinc/76/73/84/1091767384.db2.gz MWYBQJGJFCVSIL-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccnc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001206846494 1091767393 /nfs/dbraw/zinc/76/73/93/1091767393.db2.gz MWYBQJGJFCVSIL-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccnc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001206846494 1091767401 /nfs/dbraw/zinc/76/74/01/1091767401.db2.gz MWYBQJGJFCVSIL-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccnc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001206846494 1091767409 /nfs/dbraw/zinc/76/74/09/1091767409.db2.gz MWYBQJGJFCVSIL-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173638 1091789728 /nfs/dbraw/zinc/78/97/28/1091789728.db2.gz DXHDIGDVZJLVQW-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173638 1091789732 /nfs/dbraw/zinc/78/97/32/1091789732.db2.gz DXHDIGDVZJLVQW-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173638 1091789737 /nfs/dbraw/zinc/78/97/37/1091789737.db2.gz DXHDIGDVZJLVQW-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173638 1091789742 /nfs/dbraw/zinc/78/97/42/1091789742.db2.gz DXHDIGDVZJLVQW-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP CC(C)[N@H+](Cc1ccc(-c2cncnc2)cc1)C1CC[NH+](C)CC1 ZINC001140354002 1091838597 /nfs/dbraw/zinc/83/85/97/1091838597.db2.gz FWVCBPVDZHBCTB-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(-c2cncnc2)cc1)C1CC[NH+](C)CC1 ZINC001140354002 1091838598 /nfs/dbraw/zinc/83/85/98/1091838598.db2.gz FWVCBPVDZHBCTB-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC[N@H+](Cc1ccc(-c2cncnc2)cc1)C1CC[NH+](C)CC1 ZINC001140355309 1091838913 /nfs/dbraw/zinc/83/89/13/1091838913.db2.gz BXLSWHCJHZGICW-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](Cc1ccc(-c2cncnc2)cc1)C1CC[NH+](C)CC1 ZINC001140355309 1091838921 /nfs/dbraw/zinc/83/89/21/1091838921.db2.gz BXLSWHCJHZGICW-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716272752 1091858973 /nfs/dbraw/zinc/85/89/73/1091858973.db2.gz ULXSHMUBCWCCPT-KRWDZBQOSA-N 2 2 324.468 3.348 20 0 DGADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207148384 1091862921 /nfs/dbraw/zinc/86/29/21/1091862921.db2.gz VNSKHGKDSVQOTI-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207148384 1091862931 /nfs/dbraw/zinc/86/29/31/1091862931.db2.gz VNSKHGKDSVQOTI-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207148384 1091862937 /nfs/dbraw/zinc/86/29/37/1091862937.db2.gz VNSKHGKDSVQOTI-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001207148384 1091862946 /nfs/dbraw/zinc/86/29/46/1091862946.db2.gz VNSKHGKDSVQOTI-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001276513187 1091873446 /nfs/dbraw/zinc/87/34/46/1091873446.db2.gz HLFXPWBLPANRJY-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001276513187 1091873452 /nfs/dbraw/zinc/87/34/52/1091873452.db2.gz HLFXPWBLPANRJY-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001276513187 1091873456 /nfs/dbraw/zinc/87/34/56/1091873456.db2.gz HLFXPWBLPANRJY-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001276513187 1091873464 /nfs/dbraw/zinc/87/34/64/1091873464.db2.gz HLFXPWBLPANRJY-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207276559 1091905952 /nfs/dbraw/zinc/90/59/52/1091905952.db2.gz ZLMXUYBATGSEQC-UHFFFAOYSA-N 2 2 323.912 3.358 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@H](C)C(=O)OC)C2)C1 ZINC001276519410 1091908280 /nfs/dbraw/zinc/90/82/80/1091908280.db2.gz VRRMUEUMXHTZJC-DLBZAZTESA-N 2 2 324.509 3.020 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](C[C@H](C)C(=O)OC)C2)C1 ZINC001276519410 1091908284 /nfs/dbraw/zinc/90/82/84/1091908284.db2.gz VRRMUEUMXHTZJC-DLBZAZTESA-N 2 2 324.509 3.020 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383805 1091950176 /nfs/dbraw/zinc/95/01/76/1091950176.db2.gz HKYWLNMIQOZIME-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383805 1091950184 /nfs/dbraw/zinc/95/01/84/1091950184.db2.gz HKYWLNMIQOZIME-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383805 1091950192 /nfs/dbraw/zinc/95/01/92/1091950192.db2.gz HKYWLNMIQOZIME-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(Br)cc3)C[C@@H]21 ZINC001207383805 1091950201 /nfs/dbraw/zinc/95/02/01/1091950201.db2.gz HKYWLNMIQOZIME-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+](C)CCN(Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140799932 1092005381 /nfs/dbraw/zinc/00/53/81/1092005381.db2.gz QCCDBEBIJVDCKO-UHFFFAOYSA-N 2 2 308.429 3.127 20 0 DGADLP Fc1ccccc1CN1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802661 1092006431 /nfs/dbraw/zinc/00/64/31/1092006431.db2.gz CCYDHJMUKRMMIY-UHFFFAOYSA-N 2 2 324.403 3.020 20 0 DGADLP OC1(Cc2ccccc2)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140800184 1092007960 /nfs/dbraw/zinc/00/79/60/1092007960.db2.gz YCXNTMRSMGMYRA-UHFFFAOYSA-N 2 2 321.424 3.133 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001140804797 1092011872 /nfs/dbraw/zinc/01/18/72/1092011872.db2.gz FPFZAPNEFJCSIN-KRWDZBQOSA-N 2 2 307.397 3.006 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001140804797 1092011879 /nfs/dbraw/zinc/01/18/79/1092011879.db2.gz FPFZAPNEFJCSIN-KRWDZBQOSA-N 2 2 307.397 3.006 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807239 1092013687 /nfs/dbraw/zinc/01/36/87/1092013687.db2.gz ROIHBSNSPCWXAX-MRXNPFEDSA-N 2 2 320.440 3.442 20 0 DGADLP COc1ccc(CCC[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001207585604 1092032085 /nfs/dbraw/zinc/03/20/85/1092032085.db2.gz VOACIBHWENPQCA-UHFFFAOYSA-N 2 2 304.478 3.432 20 0 DGADLP COc1ccc(CCC[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001207585604 1092032096 /nfs/dbraw/zinc/03/20/96/1092032096.db2.gz VOACIBHWENPQCA-UHFFFAOYSA-N 2 2 304.478 3.432 20 0 DGADLP Fc1cccc(CCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001207601448 1092037159 /nfs/dbraw/zinc/03/71/59/1092037159.db2.gz JPIHQGHBIVFWLT-UHFFFAOYSA-N 2 2 302.437 3.176 20 0 DGADLP Fc1cccc(CCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001207601448 1092037170 /nfs/dbraw/zinc/03/71/70/1092037170.db2.gz JPIHQGHBIVFWLT-UHFFFAOYSA-N 2 2 302.437 3.176 20 0 DGADLP CC1(C)CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC001207836486 1092113137 /nfs/dbraw/zinc/11/31/37/1092113137.db2.gz IITSOVSERLAFKI-KRWDZBQOSA-N 2 2 315.505 3.365 20 0 DGADLP CC1(C)CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC001207836486 1092113141 /nfs/dbraw/zinc/11/31/41/1092113141.db2.gz IITSOVSERLAFKI-KRWDZBQOSA-N 2 2 315.505 3.365 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccn3ccnc3c2)C2CCCC2)CC1 ZINC001141051023 1092120579 /nfs/dbraw/zinc/12/05/79/1092120579.db2.gz QJXCDJQCRVCREY-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccn3ccnc3c2)C2CCCC2)CC1 ZINC001141051023 1092120586 /nfs/dbraw/zinc/12/05/86/1092120586.db2.gz QJXCDJQCRVCREY-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP CCCCc1[nH]cc(CN2CCCC[C@@H]2C[NH+]2CCCC2)[nH+]1 ZINC001141069859 1092126429 /nfs/dbraw/zinc/12/64/29/1092126429.db2.gz HABHNHZHYLFYSX-QGZVFWFLSA-N 2 2 304.482 3.203 20 0 DGADLP CCCCc1[nH]c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c[nH+]1 ZINC001141069859 1092126434 /nfs/dbraw/zinc/12/64/34/1092126434.db2.gz HABHNHZHYLFYSX-QGZVFWFLSA-N 2 2 304.482 3.203 20 0 DGADLP Fc1ccc(-c2cc(C[N@H+]3CCc4[nH+]ccn4CC3)ccn2)cc1 ZINC001141120472 1092144597 /nfs/dbraw/zinc/14/45/97/1092144597.db2.gz STJDXZXYEWCOTO-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP Fc1ccc(-c2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)ccn2)cc1 ZINC001141120472 1092144603 /nfs/dbraw/zinc/14/46/03/1092144603.db2.gz STJDXZXYEWCOTO-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141189557 1092167777 /nfs/dbraw/zinc/16/77/77/1092167777.db2.gz WHGDMDTZRFZRAC-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP CC/C=C\CCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208136158 1092210124 /nfs/dbraw/zinc/21/01/24/1092210124.db2.gz SBMTVCOKOWHTHL-ARJAWSKDSA-N 2 2 302.466 3.041 20 0 DGADLP CC/C=C\CCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001208136158 1092210139 /nfs/dbraw/zinc/21/01/39/1092210139.db2.gz SBMTVCOKOWHTHL-ARJAWSKDSA-N 2 2 302.466 3.041 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccccc2-n2cccn2)CC1 ZINC000121652311 1092211933 /nfs/dbraw/zinc/21/19/33/1092211933.db2.gz MEISEFWCGBEOJF-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC(C)=C[C@@H]3C)CC2)c1 ZINC001208166868 1092232395 /nfs/dbraw/zinc/23/23/95/1092232395.db2.gz CRDKDWYTPSDTFH-DLBZAZTESA-N 2 2 315.461 3.205 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@H]3CCC(C)=C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001208174831 1092242162 /nfs/dbraw/zinc/24/21/62/1092242162.db2.gz KZYVIDGWEVJWAS-MAUKXSAKSA-N 2 2 314.477 3.208 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1OC ZINC001141611549 1092294594 /nfs/dbraw/zinc/29/45/94/1092294594.db2.gz BSGPQMYURUWXJB-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1OC ZINC001141611549 1092294604 /nfs/dbraw/zinc/29/46/04/1092294604.db2.gz BSGPQMYURUWXJB-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001141650642 1092308915 /nfs/dbraw/zinc/30/89/15/1092308915.db2.gz BDGCTABJUJLTGW-SFHVURJKSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001141650642 1092308928 /nfs/dbraw/zinc/30/89/28/1092308928.db2.gz BDGCTABJUJLTGW-SFHVURJKSA-N 2 2 323.371 3.422 20 0 DGADLP C[NH+]1CCC2(CC[N@H+](Cc3csc(C(F)(F)F)n3)C2)CC1 ZINC001141883186 1092355464 /nfs/dbraw/zinc/35/54/64/1092355464.db2.gz DUXZALRICPEEMJ-UHFFFAOYSA-N 2 2 319.396 3.080 20 0 DGADLP C[NH+]1CCC2(CC[N@@H+](Cc3csc(C(F)(F)F)n3)C2)CC1 ZINC001141883186 1092355475 /nfs/dbraw/zinc/35/54/75/1092355475.db2.gz DUXZALRICPEEMJ-UHFFFAOYSA-N 2 2 319.396 3.080 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001208602324 1092422707 /nfs/dbraw/zinc/42/27/07/1092422707.db2.gz BJWHCYFFKSGRCK-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001208602324 1092422711 /nfs/dbraw/zinc/42/27/11/1092422711.db2.gz BJWHCYFFKSGRCK-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613896 1092428957 /nfs/dbraw/zinc/42/89/57/1092428957.db2.gz BSMVCHKJYKUCBB-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613896 1092428968 /nfs/dbraw/zinc/42/89/68/1092428968.db2.gz BSMVCHKJYKUCBB-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613896 1092428973 /nfs/dbraw/zinc/42/89/73/1092428973.db2.gz BSMVCHKJYKUCBB-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC001208613896 1092428981 /nfs/dbraw/zinc/42/89/81/1092428981.db2.gz BSMVCHKJYKUCBB-ZDUSSCGKSA-N 2 2 312.379 3.405 20 0 DGADLP Cc1ccc(NCCc2cn3ccccc3[nH+]2)c(C[NH+](C)C)c1 ZINC001169009992 1092488109 /nfs/dbraw/zinc/48/81/09/1092488109.db2.gz XVFFTPBAVKTJBX-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP c1c(CCNc2ccc([C@@H]3CCC[NH2+]C3)cc2)[nH+]c2ccccn12 ZINC001169010338 1092488471 /nfs/dbraw/zinc/48/84/71/1092488471.db2.gz AXQZXGBRJNCBRW-QGZVFWFLSA-N 2 2 320.440 3.456 20 0 DGADLP CC(C)Oc1ncccc1CC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001208801929 1092515888 /nfs/dbraw/zinc/51/58/88/1092515888.db2.gz WBCVYULAPJUYLA-UHFFFAOYSA-N 2 2 319.493 3.216 20 0 DGADLP CC(C)Oc1ncccc1CC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001208801929 1092515901 /nfs/dbraw/zinc/51/59/01/1092515901.db2.gz WBCVYULAPJUYLA-UHFFFAOYSA-N 2 2 319.493 3.216 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001169102175 1092533553 /nfs/dbraw/zinc/53/35/53/1092533553.db2.gz XWRGNVYEIYDNND-ZSBIGDGJSA-N 2 2 300.233 3.103 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnc(Cl)cc1Cl)C2 ZINC001169102175 1092533567 /nfs/dbraw/zinc/53/35/67/1092533567.db2.gz XWRGNVYEIYDNND-ZSBIGDGJSA-N 2 2 300.233 3.103 20 0 DGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1csc(Cl)c1)CC2 ZINC001142765427 1092544959 /nfs/dbraw/zinc/54/49/59/1092544959.db2.gz HFBLTPDGVRLJCX-UHFFFAOYSA-N 2 2 313.854 3.032 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccccc3)CC1)C2 ZINC001169125606 1092545359 /nfs/dbraw/zinc/54/53/59/1092545359.db2.gz JSMMBFXRMZWLHA-REPLKXPHSA-N 2 2 312.457 3.207 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccccc3)CC1)C2 ZINC001169125606 1092545370 /nfs/dbraw/zinc/54/53/70/1092545370.db2.gz JSMMBFXRMZWLHA-REPLKXPHSA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCC=CO2)CC1 ZINC001208884803 1092563865 /nfs/dbraw/zinc/56/38/65/1092563865.db2.gz HSHXVZYJEMGLAM-IBGZPJMESA-N 2 2 318.436 3.415 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@@H]2CCC=CO2)CC1 ZINC001208884803 1092563875 /nfs/dbraw/zinc/56/38/75/1092563875.db2.gz HSHXVZYJEMGLAM-IBGZPJMESA-N 2 2 318.436 3.415 20 0 DGADLP CC1(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CCCCC1 ZINC001208897466 1092574493 /nfs/dbraw/zinc/57/44/93/1092574493.db2.gz YSTSBPKWGVXZSY-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP CC1(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CCCCC1 ZINC001208897466 1092574496 /nfs/dbraw/zinc/57/44/96/1092574496.db2.gz YSTSBPKWGVXZSY-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP CC1(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)CCCCC1 ZINC001208897466 1092574502 /nfs/dbraw/zinc/57/45/02/1092574502.db2.gz YSTSBPKWGVXZSY-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP CC1(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)CCCCC1 ZINC001208897466 1092574507 /nfs/dbraw/zinc/57/45/07/1092574507.db2.gz YSTSBPKWGVXZSY-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP Cc1cc(N2CC[NH+](CC3(C)CCCCC3)CC2)nc(C)[nH+]1 ZINC001208900989 1092575892 /nfs/dbraw/zinc/57/58/92/1092575892.db2.gz YMACNVDHXWQJEP-UHFFFAOYSA-N 2 2 302.466 3.186 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1nccnc1-c1ccc(Cl)cc1 ZINC001142962768 1092594751 /nfs/dbraw/zinc/59/47/51/1092594751.db2.gz LIIDSMKIBUSQRY-UHFFFAOYSA-N 2 2 318.852 3.181 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1nccnc1-c1ccc(Cl)cc1 ZINC001142962768 1092594759 /nfs/dbraw/zinc/59/47/59/1092594759.db2.gz LIIDSMKIBUSQRY-UHFFFAOYSA-N 2 2 318.852 3.181 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001169229550 1092601647 /nfs/dbraw/zinc/60/16/47/1092601647.db2.gz AYQBKEFFNJJBDQ-HNNXBMFYSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001169274024 1092622252 /nfs/dbraw/zinc/62/22/52/1092622252.db2.gz WAWSLKBNTYKSKH-ICSRJNTNSA-N 2 2 315.505 3.367 20 0 DGADLP COCC[N@H+](CCCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209229916 1092705867 /nfs/dbraw/zinc/70/58/67/1092705867.db2.gz OJYARTDRQXFGFX-UHFFFAOYSA-N 2 2 318.505 3.442 20 0 DGADLP COCC[N@@H+](CCCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209229916 1092705868 /nfs/dbraw/zinc/70/58/68/1092705868.db2.gz OJYARTDRQXFGFX-UHFFFAOYSA-N 2 2 318.505 3.442 20 0 DGADLP COCC[N@H+](Cc1c[nH]c2c1cccc2C)C1CC[NH+](C)CC1 ZINC001209491890 1092793583 /nfs/dbraw/zinc/79/35/83/1092793583.db2.gz YKFKOZUPUUVMBC-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COCC[N@@H+](Cc1c[nH]c2c1cccc2C)C1CC[NH+](C)CC1 ZINC001209491890 1092793593 /nfs/dbraw/zinc/79/35/93/1092793593.db2.gz YKFKOZUPUUVMBC-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2c3ccccc3nn2C)CC1 ZINC001209539693 1092815719 /nfs/dbraw/zinc/81/57/19/1092815719.db2.gz OJGXHTOUFXVOKL-UHFFFAOYSA-N 2 2 314.477 3.270 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2c3ccccc3nn2C)CC1 ZINC001209539693 1092815727 /nfs/dbraw/zinc/81/57/27/1092815727.db2.gz OJGXHTOUFXVOKL-UHFFFAOYSA-N 2 2 314.477 3.270 20 0 DGADLP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(F)cc1Cl ZINC001209668262 1092872101 /nfs/dbraw/zinc/87/21/01/1092872101.db2.gz XLGLMNICIOHHAN-UHFFFAOYSA-N 2 2 312.816 3.015 20 0 DGADLP Nc1cc[nH+]cc1C[NH+]1CCC(c2ccc(F)cc2F)CC1 ZINC001209732661 1092895429 /nfs/dbraw/zinc/89/54/29/1092895429.db2.gz BESLEGIFBAAYJV-UHFFFAOYSA-N 2 2 303.356 3.152 20 0 DGADLP C[NH+]1CCN(c2ccccc2Nc2ccc3[nH]c[nH+]c3c2)CC1 ZINC001209849129 1092950033 /nfs/dbraw/zinc/95/00/33/1092950033.db2.gz XQHKFZIEAKWJPT-UHFFFAOYSA-N 2 2 307.401 3.058 20 0 DGADLP Cc1[nH]c(CN2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)c[nH+]1 ZINC001276682579 1093132604 /nfs/dbraw/zinc/13/26/04/1093132604.db2.gz QZCGHPPWVNUMSZ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP Cc1[nH]c(CN2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)c[nH+]1 ZINC001276682579 1093132611 /nfs/dbraw/zinc/13/26/11/1093132611.db2.gz QZCGHPPWVNUMSZ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP Cc1c[nH+]cc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1C ZINC001213530842 1093604897 /nfs/dbraw/zinc/60/48/97/1093604897.db2.gz OAVKDQDMHQXMKI-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001119963096 1094323667 /nfs/dbraw/zinc/32/36/67/1094323667.db2.gz BSVVQNNNABVARD-WMLDXEAASA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC001119963096 1094323679 /nfs/dbraw/zinc/32/36/79/1094323679.db2.gz BSVVQNNNABVARD-WMLDXEAASA-N 2 2 322.880 3.114 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001120065768 1094368909 /nfs/dbraw/zinc/36/89/09/1094368909.db2.gz STOVYQVTZPSCHD-WFASDCNBSA-N 2 2 324.266 3.131 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nnc(CCC3CCCCC3)o2)cc1 ZINC001217698386 1094476129 /nfs/dbraw/zinc/47/61/29/1094476129.db2.gz BURUUULKAGRNAF-INIZCTEOSA-N 2 2 314.433 3.208 20 0 DGADLP C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001336708151 1094705288 /nfs/dbraw/zinc/70/52/88/1094705288.db2.gz YOFUSYYSXUOOMC-DZGCQCFKSA-N 2 2 320.234 3.135 20 0 DGADLP Cc1ccc(N2CCC[C@H](Oc3ccc4c(c3)CC[NH2+]C4)C2)[nH+]c1 ZINC001218391237 1094745988 /nfs/dbraw/zinc/74/59/88/1094745988.db2.gz RWLZQKROFNYXTP-IBGZPJMESA-N 2 2 323.440 3.084 20 0 DGADLP Cc1cc(NC2CCN(c3cc[nH+]cc3)CC2)nc(C2CC2)[nH+]1 ZINC001336900514 1094777258 /nfs/dbraw/zinc/77/72/58/1094777258.db2.gz UEPMXIGWOOLSAM-UHFFFAOYSA-N 2 2 309.417 3.138 20 0 DGADLP Cc1[nH+]cc(CN2CC[NH+](C(C)(C)C)CC2)n1-c1ccccc1 ZINC001337019984 1094818986 /nfs/dbraw/zinc/81/89/86/1094818986.db2.gz RJRNFBMGCGEBHT-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1cn2cc(NC(=O)CCCCC3CC[NH2+]CC3)ccc2[nH+]1 ZINC001121917322 1094825086 /nfs/dbraw/zinc/82/50/86/1094825086.db2.gz REQBXOMXJQIOCH-UHFFFAOYSA-N 2 2 314.433 3.141 20 0 DGADLP [NH3+][C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CCCCCC1 ZINC001121996508 1094863025 /nfs/dbraw/zinc/86/30/25/1094863025.db2.gz IPRZGELVXREVKH-INIZCTEOSA-N 2 2 312.417 3.313 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC001337418324 1094966707 /nfs/dbraw/zinc/96/67/07/1094966707.db2.gz RYLRLDLYVCUXFI-ZDUSSCGKSA-N 2 2 324.432 3.293 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC001337418323 1094966783 /nfs/dbraw/zinc/96/67/83/1094966783.db2.gz RYLRLDLYVCUXFI-CYBMUJFWSA-N 2 2 324.432 3.293 20 0 DGADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3cccn4cc[nH+]c34)c2C1 ZINC001171095256 1095330728 /nfs/dbraw/zinc/33/07/28/1095330728.db2.gz LVUGCSUVIUASNT-ZDUSSCGKSA-N 2 2 302.381 3.094 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3C)C[C@H]2C1 ZINC001143929385 1095434388 /nfs/dbraw/zinc/43/43/88/1095434388.db2.gz JCRBJKXWUHEQMD-HUUCEWRRSA-N 2 2 312.379 3.397 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c2ccccn12 ZINC001222166677 1095470926 /nfs/dbraw/zinc/47/09/26/1095470926.db2.gz BOQDRFLIVCULKT-LJQANCHMSA-N 2 2 312.461 3.080 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c2ccccn12 ZINC001222166677 1095470931 /nfs/dbraw/zinc/47/09/31/1095470931.db2.gz BOQDRFLIVCULKT-LJQANCHMSA-N 2 2 312.461 3.080 20 0 DGADLP CCOc1c(F)cc(C[N@H+](CC)CCn2cc[nH+]c2)cc1F ZINC001144031355 1095472297 /nfs/dbraw/zinc/47/22/97/1095472297.db2.gz BZDZDQZFTCUIGE-UHFFFAOYSA-N 2 2 309.360 3.082 20 0 DGADLP CCOc1c(F)cc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1F ZINC001144031355 1095472301 /nfs/dbraw/zinc/47/23/01/1095472301.db2.gz BZDZDQZFTCUIGE-UHFFFAOYSA-N 2 2 309.360 3.082 20 0 DGADLP Oc1cc(F)cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171869 1095476664 /nfs/dbraw/zinc/47/66/64/1095476664.db2.gz GJHGWWRDUDUYLB-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1cc(F)cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171869 1095476668 /nfs/dbraw/zinc/47/66/68/1095476668.db2.gz GJHGWWRDUDUYLB-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP Nc1nc(Cl)ccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173739 1095477987 /nfs/dbraw/zinc/47/79/87/1095477987.db2.gz WVNWXQAATVNJSQ-QGZVFWFLSA-N 2 2 322.884 3.063 20 0 DGADLP Nc1nc(Cl)ccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173739 1095477994 /nfs/dbraw/zinc/47/79/94/1095477994.db2.gz WVNWXQAATVNJSQ-QGZVFWFLSA-N 2 2 322.884 3.063 20 0 DGADLP CCOc1c(F)cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1F ZINC001144025505 1095480397 /nfs/dbraw/zinc/48/03/97/1095480397.db2.gz IITHKCLMZQIAKN-UHFFFAOYSA-N 2 2 312.404 3.280 20 0 DGADLP CCOc1c(F)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1F ZINC001144025505 1095480401 /nfs/dbraw/zinc/48/04/01/1095480401.db2.gz IITHKCLMZQIAKN-UHFFFAOYSA-N 2 2 312.404 3.280 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCOc2ccccc2)[nH+]1 ZINC001116346725 1095521142 /nfs/dbraw/zinc/52/11/42/1095521142.db2.gz YNAIHOIGOYQNIU-KRWDZBQOSA-N 2 2 311.429 3.345 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOc2ccccc2)[nH+]1 ZINC001116346725 1095521153 /nfs/dbraw/zinc/52/11/53/1095521153.db2.gz YNAIHOIGOYQNIU-KRWDZBQOSA-N 2 2 311.429 3.345 20 0 DGADLP c1nc2cccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2s1 ZINC001222272320 1095522256 /nfs/dbraw/zinc/52/22/56/1095522256.db2.gz QVEZMIBZBFIZCA-QGZVFWFLSA-N 2 2 301.459 3.262 20 0 DGADLP c1nc2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)c2s1 ZINC001222272320 1095522268 /nfs/dbraw/zinc/52/22/68/1095522268.db2.gz QVEZMIBZBFIZCA-QGZVFWFLSA-N 2 2 301.459 3.262 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccn1 ZINC001222272045 1095522317 /nfs/dbraw/zinc/52/23/17/1095522317.db2.gz LWANATJIOBZWCH-IBGZPJMESA-N 2 2 301.478 3.345 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccn1 ZINC001222272045 1095522330 /nfs/dbraw/zinc/52/23/30/1095522330.db2.gz LWANATJIOBZWCH-IBGZPJMESA-N 2 2 301.478 3.345 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272386 1095523346 /nfs/dbraw/zinc/52/33/46/1095523346.db2.gz SQKLHBVZOFMTEX-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272386 1095523354 /nfs/dbraw/zinc/52/33/54/1095523354.db2.gz SQKLHBVZOFMTEX-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2c(c1)CCCO2 ZINC001222277575 1095526672 /nfs/dbraw/zinc/52/66/72/1095526672.db2.gz PKSZKWBBWGTHGW-IBGZPJMESA-N 2 2 318.436 3.116 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2c(c1)CCCO2 ZINC001222277575 1095526685 /nfs/dbraw/zinc/52/66/85/1095526685.db2.gz PKSZKWBBWGTHGW-IBGZPJMESA-N 2 2 318.436 3.116 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]4)C3)cc2)cc1 ZINC001222287220 1095531678 /nfs/dbraw/zinc/53/16/78/1095531678.db2.gz DDWJDHHKXNSTHH-HXUWFJFHSA-N 2 2 308.425 3.387 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]4)C3)cc2)cc1 ZINC001222287220 1095531689 /nfs/dbraw/zinc/53/16/89/1095531689.db2.gz DDWJDHHKXNSTHH-HXUWFJFHSA-N 2 2 308.425 3.387 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)nc1 ZINC001222427201 1095608838 /nfs/dbraw/zinc/60/88/38/1095608838.db2.gz NXRWXAZEQKAQKV-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)nc1 ZINC001222427201 1095608845 /nfs/dbraw/zinc/60/88/45/1095608845.db2.gz NXRWXAZEQKAQKV-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC001144437285 1095663304 /nfs/dbraw/zinc/66/33/04/1095663304.db2.gz MZRYOBHMRABFGT-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC001144437285 1095663307 /nfs/dbraw/zinc/66/33/07/1095663307.db2.gz MZRYOBHMRABFGT-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112211 1095716470 /nfs/dbraw/zinc/71/64/70/1095716470.db2.gz HIMNECNYKFOUON-WBVHZDCISA-N 2 2 304.482 3.353 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112211 1095716476 /nfs/dbraw/zinc/71/64/76/1095716476.db2.gz HIMNECNYKFOUON-WBVHZDCISA-N 2 2 304.482 3.353 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246576058 1095725290 /nfs/dbraw/zinc/72/52/90/1095725290.db2.gz YZBBLQSYYSOCFB-NEPJUHHUSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246576058 1095725302 /nfs/dbraw/zinc/72/53/02/1095725302.db2.gz YZBBLQSYYSOCFB-NEPJUHHUSA-N 2 2 301.261 3.466 20 0 DGADLP [NH3+][C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CCCCCC1 ZINC001340171605 1095893320 /nfs/dbraw/zinc/89/33/20/1095893320.db2.gz DERBKZVTDVDIHG-KRWDZBQOSA-N 2 2 312.417 3.109 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCCCC2)o1 ZINC001138175679 1095914071 /nfs/dbraw/zinc/91/40/71/1095914071.db2.gz BBZDODCKQMERRM-UHFFFAOYSA-N 2 2 305.466 3.188 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCCCC2)o1 ZINC001138175679 1095914083 /nfs/dbraw/zinc/91/40/83/1095914083.db2.gz BBZDODCKQMERRM-UHFFFAOYSA-N 2 2 305.466 3.188 20 0 DGADLP Cc1cc(CO[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cc(C)[nH+]1 ZINC001223423329 1095964515 /nfs/dbraw/zinc/96/45/15/1095964515.db2.gz BSBZBSFDVGGCGP-SJLPKXTDSA-N 2 2 311.429 3.446 20 0 DGADLP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712992 1096093686 /nfs/dbraw/zinc/09/36/86/1096093686.db2.gz GNAUCBKBLRXAIK-IRXDYDNUSA-N 2 2 322.497 3.117 20 0 DGADLP Cc1ccc(N2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001276932538 1096100537 /nfs/dbraw/zinc/10/05/37/1096100537.db2.gz WDUWANRDEDQVGN-KDURUIRLSA-N 2 2 324.472 3.040 20 0 DGADLP Cc1ccc(N2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001276932538 1096100541 /nfs/dbraw/zinc/10/05/41/1096100541.db2.gz WDUWANRDEDQVGN-KDURUIRLSA-N 2 2 324.472 3.040 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC001171289696 1096125213 /nfs/dbraw/zinc/12/52/13/1096125213.db2.gz SGMNPHVCCXDNNP-KBPBESRZSA-N 2 2 322.880 3.278 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001171289696 1096125217 /nfs/dbraw/zinc/12/52/17/1096125217.db2.gz SGMNPHVCCXDNNP-KBPBESRZSA-N 2 2 322.880 3.278 20 0 DGADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001341381629 1096166304 /nfs/dbraw/zinc/16/63/04/1096166304.db2.gz XJDOVNHZABNDNO-SFHVURJKSA-N 2 2 324.428 3.019 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001171360283 1096527448 /nfs/dbraw/zinc/52/74/48/1096527448.db2.gz IZHDGURSJCCANL-KRWDZBQOSA-N 2 2 320.427 3.382 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382690 1096628155 /nfs/dbraw/zinc/62/81/55/1096628155.db2.gz MPNJPTRXDFUNCX-HNNXBMFYSA-N 2 2 305.372 3.041 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382690 1096628157 /nfs/dbraw/zinc/62/81/57/1096628157.db2.gz MPNJPTRXDFUNCX-HNNXBMFYSA-N 2 2 305.372 3.041 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171412446 1096700683 /nfs/dbraw/zinc/70/06/83/1096700683.db2.gz XEGQDDHKNQSXAT-CVEARBPZSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171412446 1096700685 /nfs/dbraw/zinc/70/06/85/1096700685.db2.gz XEGQDDHKNQSXAT-CVEARBPZSA-N 2 2 304.453 3.393 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171418870 1096716509 /nfs/dbraw/zinc/71/65/09/1096716509.db2.gz MWIIFTHVWOMOER-ZWKOTPCHSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171418870 1096716514 /nfs/dbraw/zinc/71/65/14/1096716514.db2.gz MWIIFTHVWOMOER-ZWKOTPCHSA-N 2 2 310.416 3.069 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001171475435 1096905422 /nfs/dbraw/zinc/90/54/22/1096905422.db2.gz CMUKQNZKQDNRII-QGZVFWFLSA-N 2 2 320.427 3.382 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171500390 1096912759 /nfs/dbraw/zinc/91/27/59/1096912759.db2.gz PCGANYAEIYCBQK-OLZOCXBDSA-N 2 2 312.379 3.035 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171500390 1096912763 /nfs/dbraw/zinc/91/27/63/1096912763.db2.gz PCGANYAEIYCBQK-OLZOCXBDSA-N 2 2 312.379 3.035 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001171563005 1096924528 /nfs/dbraw/zinc/92/45/28/1096924528.db2.gz BSHQKNLXQUFJIY-UXHICEINSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001171563005 1096924530 /nfs/dbraw/zinc/92/45/30/1096924530.db2.gz BSHQKNLXQUFJIY-UXHICEINSA-N 2 2 306.453 3.238 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)CC1(C)C ZINC001171641415 1096949572 /nfs/dbraw/zinc/94/95/72/1096949572.db2.gz GSDYJVNQPLUZBU-RWMBFGLXSA-N 2 2 320.399 3.042 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)CC1(C)C ZINC001171641415 1096949579 /nfs/dbraw/zinc/94/95/79/1096949579.db2.gz GSDYJVNQPLUZBU-RWMBFGLXSA-N 2 2 320.399 3.042 20 0 DGADLP C[C@@H]1C[C@H](NCc2[nH+]cn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001171739974 1096972721 /nfs/dbraw/zinc/97/27/21/1096972721.db2.gz RFSLWODBHSSCTR-AEFFLSMTSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1C[C@H](NCc2[nH+]cn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC001171739974 1096972726 /nfs/dbraw/zinc/97/27/26/1096972726.db2.gz RFSLWODBHSSCTR-AEFFLSMTSA-N 2 2 320.440 3.087 20 0 DGADLP CCC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171859316 1096992737 /nfs/dbraw/zinc/99/27/37/1096992737.db2.gz BAOSOPJZFCQJTI-CQSZACIVSA-N 2 2 305.466 3.295 20 0 DGADLP CCC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171859315 1096993118 /nfs/dbraw/zinc/99/31/18/1096993118.db2.gz BAOSOPJZFCQJTI-AWEZNQCLSA-N 2 2 305.466 3.295 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cncnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972872 1097022312 /nfs/dbraw/zinc/02/23/12/1097022312.db2.gz TWBNGZBPWHYVKW-GOSISDBHSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cncnc2)CC[N@H+]1Cc1ccccc1 ZINC001171972872 1097022319 /nfs/dbraw/zinc/02/23/19/1097022319.db2.gz TWBNGZBPWHYVKW-GOSISDBHSA-N 2 2 310.445 3.009 20 0 DGADLP CC1([NH3+])CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974995 1097022681 /nfs/dbraw/zinc/02/26/81/1097022681.db2.gz JNRYJTBCPRRNON-SFHVURJKSA-N 3 2 315.505 3.243 20 0 DGADLP CC1([NH3+])CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974995 1097022685 /nfs/dbraw/zinc/02/26/85/1097022685.db2.gz JNRYJTBCPRRNON-SFHVURJKSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976690 1097024636 /nfs/dbraw/zinc/02/46/36/1097024636.db2.gz MMNRPAVHOKOTCQ-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976690 1097024644 /nfs/dbraw/zinc/02/46/44/1097024644.db2.gz MMNRPAVHOKOTCQ-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976690 1097024650 /nfs/dbraw/zinc/02/46/50/1097024650.db2.gz MMNRPAVHOKOTCQ-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976690 1097024656 /nfs/dbraw/zinc/02/46/56/1097024656.db2.gz MMNRPAVHOKOTCQ-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)C2 ZINC001172106916 1097053889 /nfs/dbraw/zinc/05/38/89/1097053889.db2.gz QUALOAYBUUEMNA-CNDDSTCGSA-N 2 2 314.260 3.493 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)C2 ZINC001172106916 1097053892 /nfs/dbraw/zinc/05/38/92/1097053892.db2.gz QUALOAYBUUEMNA-CNDDSTCGSA-N 2 2 314.260 3.493 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119342 1097064823 /nfs/dbraw/zinc/06/48/23/1097064823.db2.gz YRVZPFMAMMAINL-HLPPOEQASA-N 2 2 322.399 3.393 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119342 1097064827 /nfs/dbraw/zinc/06/48/27/1097064827.db2.gz YRVZPFMAMMAINL-HLPPOEQASA-N 2 2 322.399 3.393 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124345 1097065705 /nfs/dbraw/zinc/06/57/05/1097065705.db2.gz KTKCLEYUNLDZKL-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124345 1097065710 /nfs/dbraw/zinc/06/57/10/1097065710.db2.gz KTKCLEYUNLDZKL-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124345 1097065716 /nfs/dbraw/zinc/06/57/16/1097065716.db2.gz KTKCLEYUNLDZKL-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124345 1097065721 /nfs/dbraw/zinc/06/57/21/1097065721.db2.gz KTKCLEYUNLDZKL-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172318973 1097100231 /nfs/dbraw/zinc/10/02/31/1097100231.db2.gz NKUWCNXUBOPGLU-DLBZAZTESA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001172372133 1097110430 /nfs/dbraw/zinc/11/04/30/1097110430.db2.gz CKMDMBPZJMLFOT-JJRVBVJISA-N 2 2 302.466 3.040 20 0 DGADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001172359969 1097125125 /nfs/dbraw/zinc/12/51/25/1097125125.db2.gz ISFJHPQMWXQJSX-ULQDDVLXSA-N 2 2 306.450 3.437 20 0 DGADLP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001172359969 1097125127 /nfs/dbraw/zinc/12/51/27/1097125127.db2.gz ISFJHPQMWXQJSX-ULQDDVLXSA-N 2 2 306.450 3.437 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001172361621 1097126160 /nfs/dbraw/zinc/12/61/60/1097126160.db2.gz YASVVIYSNPRCOL-UWVAXJGDSA-N 2 2 316.489 3.433 20 0 DGADLP CCOCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001172409705 1097131865 /nfs/dbraw/zinc/13/18/65/1097131865.db2.gz YCLYPBWBMUTJLX-INIZCTEOSA-N 2 2 320.477 3.064 20 0 DGADLP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172436971 1097153469 /nfs/dbraw/zinc/15/34/69/1097153469.db2.gz KWHOOGVNTJJWFY-MJGOQNOKSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172436971 1097153474 /nfs/dbraw/zinc/15/34/74/1097153474.db2.gz KWHOOGVNTJJWFY-MJGOQNOKSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)COCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172456563 1097160030 /nfs/dbraw/zinc/16/00/30/1097160030.db2.gz FTESANWOFNUMLQ-MRXNPFEDSA-N 2 2 301.434 3.413 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H](C)C[NH+](C)C ZINC001172577590 1097196867 /nfs/dbraw/zinc/19/68/67/1097196867.db2.gz VNMQVMLTWUSYRF-GHMZBOCLSA-N 2 2 304.812 3.479 20 0 DGADLP Clc1ccc2c(c1)C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001172721217 1097216260 /nfs/dbraw/zinc/21/62/60/1097216260.db2.gz CZQCHFOYRDRREN-CZUORRHYSA-N 2 2 301.821 3.343 20 0 DGADLP Cc1[nH+]cn([C@@H]2Cc3ccc(Cl)cc3C2)c1CSCC[NH3+] ZINC001172710660 1097228041 /nfs/dbraw/zinc/22/80/41/1097228041.db2.gz KDAUAJPYSBUZFO-OAHLLOKOSA-N 2 2 321.877 3.377 20 0 DGADLP c1cn(C2CC[NH+](C3CCC4(CCOCC4)CC3)CC2)c[nH+]1 ZINC001173048793 1097312541 /nfs/dbraw/zinc/31/25/41/1097312541.db2.gz UYTRJQAJEZSXSR-UHFFFAOYSA-N 2 2 303.450 3.259 20 0 DGADLP CCCOC1CCC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001173096177 1097320740 /nfs/dbraw/zinc/32/07/40/1097320740.db2.gz LVYQWRSIWNYDMB-JLAWEPINSA-N 2 2 302.462 3.110 20 0 DGADLP CCCOC1CCC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001173096177 1097320746 /nfs/dbraw/zinc/32/07/46/1097320746.db2.gz LVYQWRSIWNYDMB-JLAWEPINSA-N 2 2 302.462 3.110 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206190236 1097330079 /nfs/dbraw/zinc/33/00/79/1097330079.db2.gz ZWAREOYVODGXGJ-GJZGRUSLSA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206190236 1097330083 /nfs/dbraw/zinc/33/00/83/1097330083.db2.gz ZWAREOYVODGXGJ-GJZGRUSLSA-N 2 2 314.832 3.388 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001206192115 1097357153 /nfs/dbraw/zinc/35/71/53/1097357153.db2.gz HQKCMDUKSNCLPG-AWEZNQCLSA-N 2 2 303.431 3.117 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001206192115 1097357158 /nfs/dbraw/zinc/35/71/58/1097357158.db2.gz HQKCMDUKSNCLPG-AWEZNQCLSA-N 2 2 303.431 3.117 20 0 DGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)cc1 ZINC001173240508 1097396064 /nfs/dbraw/zinc/39/60/64/1097396064.db2.gz HVGOPIIHHMHIAV-APWZRJJASA-N 2 2 316.489 3.023 20 0 DGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)cc1 ZINC001173240508 1097396067 /nfs/dbraw/zinc/39/60/67/1097396067.db2.gz HVGOPIIHHMHIAV-APWZRJJASA-N 2 2 316.489 3.023 20 0 DGADLP CCSC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001173290160 1097415253 /nfs/dbraw/zinc/41/52/53/1097415253.db2.gz ALFAADGMKHIQDQ-WMZOPIPTSA-N 2 2 306.519 3.425 20 0 DGADLP CC(C)[N@H+](C1Cc2cc(F)c(F)cc2C1)C1CC[NH+](C)CC1 ZINC001173482182 1097446869 /nfs/dbraw/zinc/44/68/69/1097446869.db2.gz ZMQKORFJOOXQIE-UHFFFAOYSA-N 2 2 308.416 3.237 20 0 DGADLP CC(C)[N@@H+](C1Cc2cc(F)c(F)cc2C1)C1CC[NH+](C)CC1 ZINC001173482182 1097446871 /nfs/dbraw/zinc/44/68/71/1097446871.db2.gz ZMQKORFJOOXQIE-UHFFFAOYSA-N 2 2 308.416 3.237 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3cc[nH+]c4[nH]ccc43)cc2)CC1 ZINC001174411231 1097722771 /nfs/dbraw/zinc/72/27/71/1097722771.db2.gz PYSJBYNDIWQLEI-UHFFFAOYSA-N 2 2 321.428 3.400 20 0 DGADLP CC/C=C\CC[NH2+]C12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2 ZINC001277519164 1097752159 /nfs/dbraw/zinc/75/21/59/1097752159.db2.gz NABXQRWOJKLHMK-ARJAWSKDSA-N 2 2 324.428 3.141 20 0 DGADLP COCc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001231690986 1097817555 /nfs/dbraw/zinc/81/75/55/1097817555.db2.gz IXQZOPSJLFWZOC-INIZCTEOSA-N 2 2 306.450 3.266 20 0 DGADLP COCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001231690986 1097817563 /nfs/dbraw/zinc/81/75/63/1097817563.db2.gz IXQZOPSJLFWZOC-INIZCTEOSA-N 2 2 306.450 3.266 20 0 DGADLP COCc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001231694381 1097818583 /nfs/dbraw/zinc/81/85/83/1097818583.db2.gz OIUGYDOLNNIZSF-UHFFFAOYSA-N 2 2 306.450 3.265 20 0 DGADLP COCc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001231694381 1097818588 /nfs/dbraw/zinc/81/85/88/1097818588.db2.gz OIUGYDOLNNIZSF-UHFFFAOYSA-N 2 2 306.450 3.265 20 0 DGADLP COCC[N@H+](Cc1ccccc1C(C)C)C1CC[NH+](C)CC1 ZINC001231877138 1097875448 /nfs/dbraw/zinc/87/54/48/1097875448.db2.gz WJBVEPBBTLWFIF-UHFFFAOYSA-N 2 2 304.478 3.353 20 0 DGADLP COCC[N@@H+](Cc1ccccc1C(C)C)C1CC[NH+](C)CC1 ZINC001231877138 1097875455 /nfs/dbraw/zinc/87/54/55/1097875455.db2.gz WJBVEPBBTLWFIF-UHFFFAOYSA-N 2 2 304.478 3.353 20 0 DGADLP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232017216 1097919811 /nfs/dbraw/zinc/91/98/11/1097919811.db2.gz NPHXXHZYKGRFKP-UHFFFAOYSA-N 3 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232017216 1097919815 /nfs/dbraw/zinc/91/98/15/1097919815.db2.gz NPHXXHZYKGRFKP-UHFFFAOYSA-N 3 2 317.396 3.381 20 0 DGADLP COc1cccc2[nH]cc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c21 ZINC001232039272 1097923430 /nfs/dbraw/zinc/92/34/30/1097923430.db2.gz ADXHUMBNTYOSNP-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP COc1cccc2[nH]cc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c21 ZINC001232039272 1097923432 /nfs/dbraw/zinc/92/34/32/1097923432.db2.gz ADXHUMBNTYOSNP-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP CC(=O)Nc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1 ZINC001232189610 1097960067 /nfs/dbraw/zinc/96/00/67/1097960067.db2.gz IETNPWKKGQVYFE-UHFFFAOYSA-N 2 2 317.477 3.258 20 0 DGADLP CC(=O)Nc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1 ZINC001232189610 1097960073 /nfs/dbraw/zinc/96/00/73/1097960073.db2.gz IETNPWKKGQVYFE-UHFFFAOYSA-N 2 2 317.477 3.258 20 0 DGADLP COCc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001232260676 1097985100 /nfs/dbraw/zinc/98/51/00/1097985100.db2.gz QHDIZJNZWFZEPM-UHFFFAOYSA-N 2 2 322.412 3.046 20 0 DGADLP COCc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001232260676 1097985103 /nfs/dbraw/zinc/98/51/03/1097985103.db2.gz QHDIZJNZWFZEPM-UHFFFAOYSA-N 2 2 322.412 3.046 20 0 DGADLP COc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)n1 ZINC001232337193 1098009492 /nfs/dbraw/zinc/00/94/92/1098009492.db2.gz LITTVTROTGLUDC-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP COc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C)n1 ZINC001232337193 1098009496 /nfs/dbraw/zinc/00/94/96/1098009496.db2.gz LITTVTROTGLUDC-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP CCOc1ccc(OC)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001232385064 1098020337 /nfs/dbraw/zinc/02/03/37/1098020337.db2.gz FWRPTYDPQDFEMM-UHFFFAOYSA-N 2 2 315.417 3.128 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001232388616 1098023274 /nfs/dbraw/zinc/02/32/74/1098023274.db2.gz HSSGHBPPCZMJFE-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001232388616 1098023280 /nfs/dbraw/zinc/02/32/80/1098023280.db2.gz HSSGHBPPCZMJFE-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(OC(C)C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001232388616 1098023286 /nfs/dbraw/zinc/02/32/86/1098023286.db2.gz HSSGHBPPCZMJFE-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(OC(C)C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001232388616 1098023294 /nfs/dbraw/zinc/02/32/94/1098023294.db2.gz HSSGHBPPCZMJFE-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP OCCc1ccc[nH+]c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175367626 1098026620 /nfs/dbraw/zinc/02/66/20/1098026620.db2.gz RMPHJFZVGWSRGB-UHFFFAOYSA-N 2 2 311.429 3.346 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+](Cc1cccnc1)C2 ZINC001175381251 1098029936 /nfs/dbraw/zinc/02/99/36/1098029936.db2.gz FPIDPHJVRYKVFV-NHCUHLMSSA-N 2 2 321.468 3.426 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc(CF)n2)C2CCCC2)CC1 ZINC001232540257 1098071852 /nfs/dbraw/zinc/07/18/52/1098071852.db2.gz CKUCUUSFJMYPAF-UHFFFAOYSA-N 2 2 305.441 3.390 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc(CF)n2)C2CCCC2)CC1 ZINC001232540257 1098071860 /nfs/dbraw/zinc/07/18/60/1098071860.db2.gz CKUCUUSFJMYPAF-UHFFFAOYSA-N 2 2 305.441 3.390 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ncsc4c3)C[C@@H]2C1 ZINC001232744108 1098126396 /nfs/dbraw/zinc/12/63/96/1098126396.db2.gz MJUKHKWJWXCVIL-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ncsc4c3)C[C@@H]2C1 ZINC001232744108 1098126397 /nfs/dbraw/zinc/12/63/97/1098126397.db2.gz MJUKHKWJWXCVIL-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ncsc4c3)C[C@@H]2C1 ZINC001232744108 1098126401 /nfs/dbraw/zinc/12/64/01/1098126401.db2.gz MJUKHKWJWXCVIL-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ncsc4c3)C[C@@H]2C1 ZINC001232744108 1098126405 /nfs/dbraw/zinc/12/64/05/1098126405.db2.gz MJUKHKWJWXCVIL-GASCZTMLSA-N 2 2 301.459 3.070 20 0 DGADLP C[NH+](C)Cc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175712474 1098140084 /nfs/dbraw/zinc/14/00/84/1098140084.db2.gz MRQQJFWHZKIPIA-UHFFFAOYSA-N 2 2 310.323 3.488 20 0 DGADLP Oc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC001232862770 1098155087 /nfs/dbraw/zinc/15/50/87/1098155087.db2.gz YNBIPMQXMMBQFO-UHFFFAOYSA-N 2 2 313.445 3.324 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232865787 1098156795 /nfs/dbraw/zinc/15/67/95/1098156795.db2.gz KYIHLOLMHOHIQT-UHFFFAOYSA-N 2 2 301.434 3.180 20 0 DGADLP c1cn2c([nH+]1)CC[N@H+](Cc1cncc(-c3ccccc3)c1)CC2 ZINC001232902745 1098169963 /nfs/dbraw/zinc/16/99/63/1098169963.db2.gz SMZQWRMROHBHIC-UHFFFAOYSA-N 2 2 304.397 3.003 20 0 DGADLP c1cn2c([nH+]1)CC[N@@H+](Cc1cncc(-c3ccccc3)c1)CC2 ZINC001232902745 1098169968 /nfs/dbraw/zinc/16/99/68/1098169968.db2.gz SMZQWRMROHBHIC-UHFFFAOYSA-N 2 2 304.397 3.003 20 0 DGADLP Cc1ncc(F)cc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001232990500 1098194810 /nfs/dbraw/zinc/19/48/10/1098194810.db2.gz DNQUIRDUFHMQEP-ROUUACIJSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1ncc(F)cc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001232990500 1098194812 /nfs/dbraw/zinc/19/48/12/1098194812.db2.gz DNQUIRDUFHMQEP-ROUUACIJSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1ncc(F)cc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001232990500 1098194815 /nfs/dbraw/zinc/19/48/15/1098194815.db2.gz DNQUIRDUFHMQEP-ROUUACIJSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1ncc(F)cc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001232990500 1098194816 /nfs/dbraw/zinc/19/48/16/1098194816.db2.gz DNQUIRDUFHMQEP-ROUUACIJSA-N 2 2 305.441 3.368 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC001176069407 1098254903 /nfs/dbraw/zinc/25/49/03/1098254903.db2.gz IEPLOLIWODFEIA-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC001176069407 1098254906 /nfs/dbraw/zinc/25/49/06/1098254906.db2.gz IEPLOLIWODFEIA-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC001176069407 1098254910 /nfs/dbraw/zinc/25/49/10/1098254910.db2.gz IEPLOLIWODFEIA-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC001176069407 1098254914 /nfs/dbraw/zinc/25/49/14/1098254914.db2.gz IEPLOLIWODFEIA-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3c2CCO3)C2CCCC2)CC1 ZINC001233278512 1098273098 /nfs/dbraw/zinc/27/30/98/1098273098.db2.gz ULLFGYHVSXAIAN-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3c2CCO3)C2CCCC2)CC1 ZINC001233278512 1098273103 /nfs/dbraw/zinc/27/31/03/1098273103.db2.gz ULLFGYHVSXAIAN-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC001176235354 1098292048 /nfs/dbraw/zinc/29/20/48/1098292048.db2.gz VJGCNIDKGMJZGT-GOSISDBHSA-N 2 2 320.452 3.118 20 0 DGADLP CC[N@H+](Cc1cccnc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234068262 1098489050 /nfs/dbraw/zinc/48/90/50/1098489050.db2.gz ZODPKIVFJSGCHR-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CC[N@@H+](Cc1cccnc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234068262 1098489053 /nfs/dbraw/zinc/48/90/53/1098489053.db2.gz ZODPKIVFJSGCHR-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234066836 1098489175 /nfs/dbraw/zinc/48/91/75/1098489175.db2.gz QECJUKJPVUEUFP-AWEZNQCLSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234066836 1098489179 /nfs/dbraw/zinc/48/91/79/1098489179.db2.gz QECJUKJPVUEUFP-AWEZNQCLSA-N 2 2 321.371 3.358 20 0 DGADLP COc1ccsc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001177245590 1098501345 /nfs/dbraw/zinc/50/13/45/1098501345.db2.gz YOBAZIKZLUAEHR-UHFFFAOYSA-N 2 2 316.470 3.295 20 0 DGADLP COc1ccsc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001177245590 1098501349 /nfs/dbraw/zinc/50/13/49/1098501349.db2.gz YOBAZIKZLUAEHR-UHFFFAOYSA-N 2 2 316.470 3.295 20 0 DGADLP CC(C)n1c(C[NH2+]CCCCn2cc[nH+]c2)nc2ccccc21 ZINC001177446435 1098538927 /nfs/dbraw/zinc/53/89/27/1098538927.db2.gz NQUQWSLLDQTRPS-UHFFFAOYSA-N 2 2 311.433 3.384 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001177822461 1098607591 /nfs/dbraw/zinc/60/75/91/1098607591.db2.gz KDMCSHJXCQRNNM-MSOLQXFVSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001177822461 1098607597 /nfs/dbraw/zinc/60/75/97/1098607597.db2.gz KDMCSHJXCQRNNM-MSOLQXFVSA-N 2 2 302.462 3.017 20 0 DGADLP C[C@@H](CCc1cccn1C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177855611 1098632736 /nfs/dbraw/zinc/63/27/36/1098632736.db2.gz ZZAUDXJUMIUQOS-INIZCTEOSA-N 2 2 308.429 3.322 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC(C)C)c1 ZINC001234719699 1098655296 /nfs/dbraw/zinc/65/52/96/1098655296.db2.gz DQFSWCAFOUKAPL-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC(C)C)c1 ZINC001234719699 1098655300 /nfs/dbraw/zinc/65/53/00/1098655300.db2.gz DQFSWCAFOUKAPL-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(OC(C)C)c1 ZINC001234719699 1098655302 /nfs/dbraw/zinc/65/53/02/1098655302.db2.gz DQFSWCAFOUKAPL-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC(C)C)c1 ZINC001234719699 1098655309 /nfs/dbraw/zinc/65/53/09/1098655309.db2.gz DQFSWCAFOUKAPL-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC4CC3(C[NH3+])C4)s2)cc1 ZINC001235008303 1098748823 /nfs/dbraw/zinc/74/88/23/1098748823.db2.gz RGITVKOKCRHBEJ-UHFFFAOYSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC4CC3(C[NH3+])C4)s2)cc1 ZINC001235008303 1098748827 /nfs/dbraw/zinc/74/88/27/1098748827.db2.gz RGITVKOKCRHBEJ-UHFFFAOYSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC001235008877 1098750397 /nfs/dbraw/zinc/75/03/97/1098750397.db2.gz WDLOLAHTMSOMIY-UHFFFAOYSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC001235008877 1098750408 /nfs/dbraw/zinc/75/04/08/1098750408.db2.gz WDLOLAHTMSOMIY-UHFFFAOYSA-N 2 2 308.425 3.285 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235019595 1098752039 /nfs/dbraw/zinc/75/20/39/1098752039.db2.gz BUVKIMBLICYASB-GOSISDBHSA-N 2 2 322.880 3.159 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235019595 1098752048 /nfs/dbraw/zinc/75/20/48/1098752048.db2.gz BUVKIMBLICYASB-GOSISDBHSA-N 2 2 322.880 3.159 20 0 DGADLP CC[NH+](CC)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235016999 1098752758 /nfs/dbraw/zinc/75/27/58/1098752758.db2.gz DSWQORRMBSMJAV-UHFFFAOYSA-N 2 2 308.223 3.477 20 0 DGADLP Cc1ccc(C)c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001178232473 1098766353 /nfs/dbraw/zinc/76/63/53/1098766353.db2.gz PZIRGXFXSNRUFK-LJQANCHMSA-N 2 2 324.472 3.451 20 0 DGADLP COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037642 1098766828 /nfs/dbraw/zinc/76/68/28/1098766828.db2.gz GKEYOHCSFXHUNI-GOSISDBHSA-N 2 2 306.425 3.251 20 0 DGADLP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037642 1098766834 /nfs/dbraw/zinc/76/68/34/1098766834.db2.gz GKEYOHCSFXHUNI-GOSISDBHSA-N 2 2 306.425 3.251 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cnc1OC(C)C ZINC001235039030 1098767958 /nfs/dbraw/zinc/76/79/58/1098767958.db2.gz MLBFQDWSWHIMAS-IBGZPJMESA-N 2 2 317.477 3.285 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cnc1OC(C)C ZINC001235039030 1098767969 /nfs/dbraw/zinc/76/79/69/1098767969.db2.gz MLBFQDWSWHIMAS-IBGZPJMESA-N 2 2 317.477 3.285 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235044574 1098770758 /nfs/dbraw/zinc/77/07/58/1098770758.db2.gz IVVZGKNDOWTMNY-KRWDZBQOSA-N 2 2 322.836 3.177 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235044574 1098770762 /nfs/dbraw/zinc/77/07/62/1098770762.db2.gz IVVZGKNDOWTMNY-KRWDZBQOSA-N 2 2 322.836 3.177 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cccnc2)c(C)c1 ZINC001178276368 1098773983 /nfs/dbraw/zinc/77/39/83/1098773983.db2.gz NZTFWCFYHCMRLI-LJQANCHMSA-N 2 2 306.413 3.426 20 0 DGADLP c1cncc(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235115865 1098814322 /nfs/dbraw/zinc/81/43/22/1098814322.db2.gz KSFIMJBAWFORMF-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235115865 1098814334 /nfs/dbraw/zinc/81/43/34/1098814334.db2.gz KSFIMJBAWFORMF-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235124290 1098823971 /nfs/dbraw/zinc/82/39/71/1098823971.db2.gz LUMFAUCUFKVLIH-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235124290 1098823988 /nfs/dbraw/zinc/82/39/88/1098823988.db2.gz LUMFAUCUFKVLIH-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC001235192976 1098870456 /nfs/dbraw/zinc/87/04/56/1098870456.db2.gz JJMOZUGJLKTCCC-CZUORRHYSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC001235192976 1098870463 /nfs/dbraw/zinc/87/04/63/1098870463.db2.gz JJMOZUGJLKTCCC-CZUORRHYSA-N 2 2 315.848 3.238 20 0 DGADLP CCCCCC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178654408 1098899287 /nfs/dbraw/zinc/89/92/87/1098899287.db2.gz PVDDBDWQQHKCCV-UHFFFAOYSA-N 2 2 322.497 3.189 20 0 DGADLP CCCCCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178654408 1098899299 /nfs/dbraw/zinc/89/92/99/1098899299.db2.gz PVDDBDWQQHKCCV-UHFFFAOYSA-N 2 2 322.497 3.189 20 0 DGADLP Oc1cc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235239377 1098912806 /nfs/dbraw/zinc/91/28/06/1098912806.db2.gz JVVWLGRKXRXSHI-MRXNPFEDSA-N 2 2 310.388 3.025 20 0 DGADLP COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235245528 1098918846 /nfs/dbraw/zinc/91/88/46/1098918846.db2.gz QMPZWHFDVFERRY-VQIMIIECSA-N 2 2 302.462 3.440 20 0 DGADLP COc1cc(C)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235245528 1098918854 /nfs/dbraw/zinc/91/88/54/1098918854.db2.gz QMPZWHFDVFERRY-VQIMIIECSA-N 2 2 302.462 3.440 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccnc(-c3ccc(F)cc3)c1)C2 ZINC001235246522 1098920235 /nfs/dbraw/zinc/92/02/35/1098920235.db2.gz YSHDKVQZAJUEHI-VQIMIIECSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccnc(-c3ccc(F)cc3)c1)C2 ZINC001235246522 1098920244 /nfs/dbraw/zinc/92/02/44/1098920244.db2.gz YSHDKVQZAJUEHI-VQIMIIECSA-N 2 2 311.404 3.201 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)s2)cc1 ZINC001235255292 1098927204 /nfs/dbraw/zinc/92/72/04/1098927204.db2.gz DFAJTRVCKSEEGF-PBHICJAKSA-N 2 2 314.454 3.217 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)s2)cc1 ZINC001235255292 1098927212 /nfs/dbraw/zinc/92/72/12/1098927212.db2.gz DFAJTRVCKSEEGF-PBHICJAKSA-N 2 2 314.454 3.217 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235257823 1098929038 /nfs/dbraw/zinc/92/90/38/1098929038.db2.gz JJGZAVMJAQCBBC-ICSRJNTNSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235257823 1098929043 /nfs/dbraw/zinc/92/90/43/1098929043.db2.gz JJGZAVMJAQCBBC-ICSRJNTNSA-N 2 2 308.425 3.156 20 0 DGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)c(F)c1 ZINC001235261174 1098933642 /nfs/dbraw/zinc/93/36/42/1098933642.db2.gz PEVIUKPUSOKEDB-BEFAXECRSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)c(F)c1 ZINC001235261174 1098933651 /nfs/dbraw/zinc/93/36/51/1098933651.db2.gz PEVIUKPUSOKEDB-BEFAXECRSA-N 2 2 314.379 3.426 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cc3cnccc3o2)c[nH+]1 ZINC001178860279 1098963470 /nfs/dbraw/zinc/96/34/70/1098963470.db2.gz YEZGKENUFHHFMC-UHFFFAOYSA-N 2 2 318.380 3.362 20 0 DGADLP CCOc1cc(O)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001235407933 1099005073 /nfs/dbraw/zinc/00/50/73/1099005073.db2.gz XWADPPBLPILRLF-UHFFFAOYSA-N 2 2 306.450 3.096 20 0 DGADLP CCOc1cc(O)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001235407933 1099005087 /nfs/dbraw/zinc/00/50/87/1099005087.db2.gz XWADPPBLPILRLF-UHFFFAOYSA-N 2 2 306.450 3.096 20 0 DGADLP CC[N@H+](Cc1c[nH]c2cnc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001235507307 1099066951 /nfs/dbraw/zinc/06/69/51/1099066951.db2.gz ACIDCSWQKULDNA-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2cnc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001235507307 1099066964 /nfs/dbraw/zinc/06/69/64/1099066964.db2.gz ACIDCSWQKULDNA-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001235675012 1099118121 /nfs/dbraw/zinc/11/81/21/1099118121.db2.gz HGHYBEBKNKCXHA-LBPRGKRZSA-N 2 2 316.367 3.275 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001235675012 1099118128 /nfs/dbraw/zinc/11/81/28/1099118128.db2.gz HGHYBEBKNKCXHA-LBPRGKRZSA-N 2 2 316.367 3.275 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(c3ccccc3F)CC2)CO1 ZINC001235678970 1099122091 /nfs/dbraw/zinc/12/20/91/1099122091.db2.gz MXGNLZOOMQWBJW-HNNXBMFYSA-N 2 2 306.425 3.120 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235713190 1099141327 /nfs/dbraw/zinc/14/13/27/1099141327.db2.gz JIWQIVZJQBDCTJ-UHFFFAOYSA-N 2 2 316.392 3.484 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235713190 1099141330 /nfs/dbraw/zinc/14/13/30/1099141330.db2.gz JIWQIVZJQBDCTJ-UHFFFAOYSA-N 2 2 316.392 3.484 20 0 DGADLP Cc1c(C)c(C[NH+]2CCC(C)([NH3+])CC2)ccc1Br ZINC001235748746 1099163801 /nfs/dbraw/zinc/16/38/01/1099163801.db2.gz NWCATLSROZYVMA-UHFFFAOYSA-N 2 2 311.267 3.379 20 0 DGADLP CCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC001235799460 1099186100 /nfs/dbraw/zinc/18/61/00/1099186100.db2.gz BRGUZMOPXFTJBA-UHFFFAOYSA-N 2 2 303.381 3.258 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2ccc(C)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235806500 1099187202 /nfs/dbraw/zinc/18/72/02/1099187202.db2.gz JPSBRHOCSCRDBX-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2ccc(C)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235806500 1099187204 /nfs/dbraw/zinc/18/72/04/1099187204.db2.gz JPSBRHOCSCRDBX-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@H+](Cc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]C1 ZINC001235812319 1099191133 /nfs/dbraw/zinc/19/11/33/1099191133.db2.gz ZCKWODUBQYBXIH-MRXNPFEDSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]C1 ZINC001235812319 1099191139 /nfs/dbraw/zinc/19/11/39/1099191139.db2.gz ZCKWODUBQYBXIH-MRXNPFEDSA-N 2 2 310.869 3.239 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235841719 1099204663 /nfs/dbraw/zinc/20/46/63/1099204663.db2.gz IBUDHJBASCZNGC-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235841719 1099204668 /nfs/dbraw/zinc/20/46/68/1099204668.db2.gz IBUDHJBASCZNGC-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP Fc1ccc([C@@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235865841 1099227829 /nfs/dbraw/zinc/22/78/29/1099227829.db2.gz SJKVAUGAGQIBST-IRXDYDNUSA-N 2 2 308.466 3.448 20 0 DGADLP Fc1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235865841 1099227836 /nfs/dbraw/zinc/22/78/36/1099227836.db2.gz SJKVAUGAGQIBST-IRXDYDNUSA-N 2 2 308.466 3.448 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c(F)ccc(N)c1F ZINC001235972953 1099302126 /nfs/dbraw/zinc/30/21/26/1099302126.db2.gz IZSZRUKCEITMCJ-UONOGXRCSA-N 2 2 323.431 3.386 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c(F)ccc(N)c1F ZINC001235972953 1099302135 /nfs/dbraw/zinc/30/21/35/1099302135.db2.gz IZSZRUKCEITMCJ-UONOGXRCSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(N)c1F ZINC001235972953 1099302145 /nfs/dbraw/zinc/30/21/45/1099302145.db2.gz IZSZRUKCEITMCJ-UONOGXRCSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c(F)ccc(N)c1F ZINC001235972953 1099302153 /nfs/dbraw/zinc/30/21/53/1099302153.db2.gz IZSZRUKCEITMCJ-UONOGXRCSA-N 2 2 323.431 3.386 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979212 1099307145 /nfs/dbraw/zinc/30/71/45/1099307145.db2.gz KRJOJLGLUDRARQ-UYAOXDASSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979212 1099307156 /nfs/dbraw/zinc/30/71/56/1099307156.db2.gz KRJOJLGLUDRARQ-UYAOXDASSA-N 2 2 308.425 3.189 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235989302 1099312501 /nfs/dbraw/zinc/31/25/01/1099312501.db2.gz IZKFKHRFMOSTSP-TZIWHRDSSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235989302 1099312513 /nfs/dbraw/zinc/31/25/13/1099312513.db2.gz IZKFKHRFMOSTSP-TZIWHRDSSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235989300 1099313805 /nfs/dbraw/zinc/31/38/05/1099313805.db2.gz IZKFKHRFMOSTSP-PZJWPPBQSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235989300 1099313817 /nfs/dbraw/zinc/31/38/17/1099313817.db2.gz IZKFKHRFMOSTSP-PZJWPPBQSA-N 2 2 322.452 3.497 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@H]1CCC[NH2+]C1 ZINC001236009504 1099332865 /nfs/dbraw/zinc/33/28/65/1099332865.db2.gz ZJHRFLUZQDZEBD-AWEZNQCLSA-N 2 2 316.367 3.468 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@H]1CCC[NH2+]C1 ZINC001236009504 1099332876 /nfs/dbraw/zinc/33/28/76/1099332876.db2.gz ZJHRFLUZQDZEBD-AWEZNQCLSA-N 2 2 316.367 3.468 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1c3ccccc3[nH]c1-c1ccccc1)C2 ZINC001236023435 1099339127 /nfs/dbraw/zinc/33/91/27/1099339127.db2.gz GQKKOYAOAGWCSJ-FOIQADDNSA-N 2 2 303.409 3.368 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1c3ccccc3[nH]c1-c1ccccc1)C2 ZINC001236023435 1099339139 /nfs/dbraw/zinc/33/91/39/1099339139.db2.gz GQKKOYAOAGWCSJ-FOIQADDNSA-N 2 2 303.409 3.368 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001236041038 1099344097 /nfs/dbraw/zinc/34/40/97/1099344097.db2.gz FEDFIQNVCOPFTQ-LJQANCHMSA-N 2 2 322.452 3.026 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236060871 1099361518 /nfs/dbraw/zinc/36/15/18/1099361518.db2.gz SKLTYFKBLYMQMW-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236060871 1099361528 /nfs/dbraw/zinc/36/15/28/1099361528.db2.gz SKLTYFKBLYMQMW-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001236073510 1099371133 /nfs/dbraw/zinc/37/11/33/1099371133.db2.gz TYIRZWRIKKQZJG-MFKMUULPSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001236073510 1099371138 /nfs/dbraw/zinc/37/11/38/1099371138.db2.gz TYIRZWRIKKQZJG-MFKMUULPSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C[C@@H]1[NH3+] ZINC001236093917 1099383288 /nfs/dbraw/zinc/38/32/88/1099383288.db2.gz PCCFOLNNJJOQPX-QRWLVFNGSA-N 2 2 309.457 3.199 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C[C@@H]1[NH3+] ZINC001236093917 1099383300 /nfs/dbraw/zinc/38/33/00/1099383300.db2.gz PCCFOLNNJJOQPX-QRWLVFNGSA-N 2 2 309.457 3.199 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c2c(OC)cccc12 ZINC001236095468 1099385582 /nfs/dbraw/zinc/38/55/82/1099385582.db2.gz UYCKHBGPPTUBNZ-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c2c(OC)cccc12 ZINC001236095468 1099385595 /nfs/dbraw/zinc/38/55/95/1099385595.db2.gz UYCKHBGPPTUBNZ-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103103 1099389956 /nfs/dbraw/zinc/38/99/56/1099389956.db2.gz WCTCNDQTCITOMW-MOPGFXCFSA-N 2 2 300.446 3.321 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103103 1099389968 /nfs/dbraw/zinc/38/99/68/1099389968.db2.gz WCTCNDQTCITOMW-MOPGFXCFSA-N 2 2 300.446 3.321 20 0 DGADLP CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@H]1CCC[NH2+]1 ZINC001236102792 1099391258 /nfs/dbraw/zinc/39/12/58/1099391258.db2.gz SBZBCKYPFXAWQF-UXHICEINSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@H]1CCC[NH2+]1 ZINC001236102792 1099391269 /nfs/dbraw/zinc/39/12/69/1099391269.db2.gz SBZBCKYPFXAWQF-UXHICEINSA-N 2 2 312.457 3.336 20 0 DGADLP c1ccc2c(c1)[C@H]1C[C@@H]2C[N@H+](C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001236109596 1099397847 /nfs/dbraw/zinc/39/78/47/1099397847.db2.gz URVZFYMGCWKPBP-OTWHNJEPSA-N 2 2 304.437 3.288 20 0 DGADLP c1ccc2c(c1)[C@H]1C[C@@H]2C[N@@H+](C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001236109596 1099397867 /nfs/dbraw/zinc/39/78/67/1099397867.db2.gz URVZFYMGCWKPBP-OTWHNJEPSA-N 2 2 304.437 3.288 20 0 DGADLP c1csc([C@H]2C[NH2+]CCN2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001236112403 1099399849 /nfs/dbraw/zinc/39/98/49/1099399849.db2.gz FBJURAKXTTYYFR-QGZVFWFLSA-N 2 2 324.453 3.080 20 0 DGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc(C)c1F ZINC001236195168 1099457932 /nfs/dbraw/zinc/45/79/32/1099457932.db2.gz PBYBCZXWDBKOHN-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc(C)c1F ZINC001236195168 1099457938 /nfs/dbraw/zinc/45/79/38/1099457938.db2.gz PBYBCZXWDBKOHN-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214150 1099470231 /nfs/dbraw/zinc/47/02/31/1099470231.db2.gz CKYDNANNXCGWOO-LSDHHAIUSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214150 1099470236 /nfs/dbraw/zinc/47/02/36/1099470236.db2.gz CKYDNANNXCGWOO-LSDHHAIUSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219441 1099477454 /nfs/dbraw/zinc/47/74/54/1099477454.db2.gz WHODJXXYWGWJLP-CVEARBPZSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219441 1099477463 /nfs/dbraw/zinc/47/74/63/1099477463.db2.gz WHODJXXYWGWJLP-CVEARBPZSA-N 2 2 306.450 3.184 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1F ZINC001236226807 1099483404 /nfs/dbraw/zinc/48/34/04/1099483404.db2.gz UCZPHRLCTFMFBR-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1F ZINC001236226807 1099483409 /nfs/dbraw/zinc/48/34/09/1099483409.db2.gz UCZPHRLCTFMFBR-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP C[N@H+](Cc1c[nH+]c(N)[nH]1)Cc1cccc(Oc2ccccc2)c1 ZINC001236241944 1099496643 /nfs/dbraw/zinc/49/66/43/1099496643.db2.gz UTUPOJOSVLRYDU-UHFFFAOYSA-N 2 2 308.385 3.416 20 0 DGADLP C[N@@H+](Cc1c[nH+]c(N)[nH]1)Cc1cccc(Oc2ccccc2)c1 ZINC001236241944 1099496646 /nfs/dbraw/zinc/49/66/46/1099496646.db2.gz UTUPOJOSVLRYDU-UHFFFAOYSA-N 2 2 308.385 3.416 20 0 DGADLP c1cn2c(cccc2CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001236269515 1099512451 /nfs/dbraw/zinc/51/24/51/1099512451.db2.gz GDPLKUQDYNHPGO-GOSISDBHSA-N 2 2 320.440 3.089 20 0 DGADLP CCC[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236323319 1099537250 /nfs/dbraw/zinc/53/72/50/1099537250.db2.gz DLQIMRSVSPXAEZ-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236323319 1099537258 /nfs/dbraw/zinc/53/72/58/1099537258.db2.gz DLQIMRSVSPXAEZ-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CCc1cc(N2CCC(C)([NH+]3CCCCC3)CC2)nc(CC)[nH+]1 ZINC001187533693 1099539162 /nfs/dbraw/zinc/53/91/62/1099539162.db2.gz KERAHLJOGZGHEN-UHFFFAOYSA-N 2 2 316.493 3.446 20 0 DGADLP COc1cccc([C@@H]2CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236332768 1099542760 /nfs/dbraw/zinc/54/27/60/1099542760.db2.gz BGCGWJCSRLRNIT-WOJBJXKFSA-N 2 2 324.468 3.445 20 0 DGADLP COc1cccc([C@@H]2CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236332768 1099542772 /nfs/dbraw/zinc/54/27/72/1099542772.db2.gz BGCGWJCSRLRNIT-WOJBJXKFSA-N 2 2 324.468 3.445 20 0 DGADLP Oc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1F ZINC001236374549 1099561965 /nfs/dbraw/zinc/56/19/65/1099561965.db2.gz DQTQUPXTTAUUDP-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1F ZINC001236374549 1099561976 /nfs/dbraw/zinc/56/19/76/1099561976.db2.gz DQTQUPXTTAUUDP-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP CC[N@@H+](Cc1c(C)cccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236410223 1099585007 /nfs/dbraw/zinc/58/50/07/1099585007.db2.gz GJLFDZLMLZDKMI-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1c(C)cccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236410223 1099585021 /nfs/dbraw/zinc/58/50/21/1099585021.db2.gz GJLFDZLMLZDKMI-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419258 1099594533 /nfs/dbraw/zinc/59/45/33/1099594533.db2.gz HRSUHLPXBCYRGW-CRAIPNDOSA-N 2 2 320.440 3.337 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419258 1099594544 /nfs/dbraw/zinc/59/45/44/1099594544.db2.gz HRSUHLPXBCYRGW-CRAIPNDOSA-N 2 2 320.440 3.337 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001236419976 1099595143 /nfs/dbraw/zinc/59/51/43/1099595143.db2.gz NDXCYCIOADCNMK-CQSZACIVSA-N 2 2 300.368 3.322 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001236419976 1099595152 /nfs/dbraw/zinc/59/51/52/1099595152.db2.gz NDXCYCIOADCNMK-CQSZACIVSA-N 2 2 300.368 3.322 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236435081 1099610302 /nfs/dbraw/zinc/61/03/02/1099610302.db2.gz RJEVMAWAKPHQBU-SFHVURJKSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236435081 1099610306 /nfs/dbraw/zinc/61/03/06/1099610306.db2.gz RJEVMAWAKPHQBU-SFHVURJKSA-N 2 2 302.368 3.365 20 0 DGADLP Cn1cccc1C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453339 1099620798 /nfs/dbraw/zinc/62/07/98/1099620798.db2.gz PZFGPPVSLSVJBE-UHFFFAOYSA-N 2 2 317.864 3.433 20 0 DGADLP Cn1cccc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453339 1099620808 /nfs/dbraw/zinc/62/08/08/1099620808.db2.gz PZFGPPVSLSVJBE-UHFFFAOYSA-N 2 2 317.864 3.433 20 0 DGADLP CC(C)(C)C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001236459388 1099622169 /nfs/dbraw/zinc/62/21/69/1099622169.db2.gz LNIOHVOEBDWLQE-UHFFFAOYSA-N 2 2 318.440 3.302 20 0 DGADLP CC(C)(C)C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001236459388 1099622172 /nfs/dbraw/zinc/62/21/72/1099622172.db2.gz LNIOHVOEBDWLQE-UHFFFAOYSA-N 2 2 318.440 3.302 20 0 DGADLP CC(C)[N@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236467867 1099628160 /nfs/dbraw/zinc/62/81/60/1099628160.db2.gz KOUWJMMPCBHYBY-GOSISDBHSA-N 2 2 301.478 3.249 20 0 DGADLP CC(C)[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236467867 1099628165 /nfs/dbraw/zinc/62/81/65/1099628165.db2.gz KOUWJMMPCBHYBY-GOSISDBHSA-N 2 2 301.478 3.249 20 0 DGADLP CC(C)[N@H+](Cc1cn(C)c2ccnc(Cl)c12)[C@@H]1CCC[NH2+]C1 ZINC001236471147 1099631329 /nfs/dbraw/zinc/63/13/29/1099631329.db2.gz XLRKZCBAAOGTDV-CQSZACIVSA-N 2 2 320.868 3.189 20 0 DGADLP CC(C)[N@@H+](Cc1cn(C)c2ccnc(Cl)c12)[C@@H]1CCC[NH2+]C1 ZINC001236471147 1099631333 /nfs/dbraw/zinc/63/13/33/1099631333.db2.gz XLRKZCBAAOGTDV-CQSZACIVSA-N 2 2 320.868 3.189 20 0 DGADLP COc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(OC)c1C ZINC001236474340 1099633328 /nfs/dbraw/zinc/63/33/28/1099633328.db2.gz QYYUULJGFANYHE-QGZVFWFLSA-N 2 2 320.477 3.222 20 0 DGADLP COc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(OC)c1C ZINC001236474340 1099633336 /nfs/dbraw/zinc/63/33/36/1099633336.db2.gz QYYUULJGFANYHE-QGZVFWFLSA-N 2 2 320.477 3.222 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236477804 1099635396 /nfs/dbraw/zinc/63/53/96/1099635396.db2.gz NSYZJOIRYQIJLQ-GOSISDBHSA-N 2 2 318.461 3.073 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236477804 1099635403 /nfs/dbraw/zinc/63/54/03/1099635403.db2.gz NSYZJOIRYQIJLQ-GOSISDBHSA-N 2 2 318.461 3.073 20 0 DGADLP Cc1ccc(C[N@H+](C[C@H]2CCCCO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236491919 1099642497 /nfs/dbraw/zinc/64/24/97/1099642497.db2.gz HTXFCACMVWTJKB-GOSISDBHSA-N 2 2 320.452 3.257 20 0 DGADLP Cc1ccc(C[N@@H+](C[C@H]2CCCCO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236491919 1099642508 /nfs/dbraw/zinc/64/25/08/1099642508.db2.gz HTXFCACMVWTJKB-GOSISDBHSA-N 2 2 320.452 3.257 20 0 DGADLP CSCCC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503938 1099649616 /nfs/dbraw/zinc/64/96/16/1099649616.db2.gz HYKQBMPRGXERMQ-UHFFFAOYSA-N 2 2 314.445 3.272 20 0 DGADLP CSCCC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236503938 1099649623 /nfs/dbraw/zinc/64/96/23/1099649623.db2.gz HYKQBMPRGXERMQ-UHFFFAOYSA-N 2 2 314.445 3.272 20 0 DGADLP Cc1cc(F)ccc1C[N@H+](Cc1ccoc1)C1CC[NH2+]CC1 ZINC001236518904 1099656354 /nfs/dbraw/zinc/65/63/54/1099656354.db2.gz YKUGAKLEYIMNEC-UHFFFAOYSA-N 2 2 302.393 3.481 20 0 DGADLP Cc1cc(F)ccc1C[N@@H+](Cc1ccoc1)C1CC[NH2+]CC1 ZINC001236518904 1099656357 /nfs/dbraw/zinc/65/63/57/1099656357.db2.gz YKUGAKLEYIMNEC-UHFFFAOYSA-N 2 2 302.393 3.481 20 0 DGADLP CC(C)Oc1cncc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001236522178 1099658875 /nfs/dbraw/zinc/65/88/75/1099658875.db2.gz VKPLBUZICDVMFC-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cncc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001236522178 1099658884 /nfs/dbraw/zinc/65/88/84/1099658884.db2.gz VKPLBUZICDVMFC-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236530227 1099664595 /nfs/dbraw/zinc/66/45/95/1099664595.db2.gz RJKXQFJDLYIWKX-OAHLLOKOSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236530227 1099664608 /nfs/dbraw/zinc/66/46/08/1099664608.db2.gz RJKXQFJDLYIWKX-OAHLLOKOSA-N 2 2 311.267 3.330 20 0 DGADLP CC(C)[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236530508 1099665955 /nfs/dbraw/zinc/66/59/55/1099665955.db2.gz QVAQSKFKRHWZMQ-KRWDZBQOSA-N 2 2 302.462 3.363 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236530508 1099665959 /nfs/dbraw/zinc/66/59/59/1099665959.db2.gz QVAQSKFKRHWZMQ-KRWDZBQOSA-N 2 2 302.462 3.363 20 0 DGADLP COc1ccc(Cl)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599642 1099694831 /nfs/dbraw/zinc/69/48/31/1099694831.db2.gz UKCWAJJSMCDMAZ-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236599642 1099694837 /nfs/dbraw/zinc/69/48/37/1099694837.db2.gz UKCWAJJSMCDMAZ-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cc(F)cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651926 1099722727 /nfs/dbraw/zinc/72/27/27/1099722727.db2.gz JSSYWUCNMUPBLK-QGZVFWFLSA-N 2 2 306.425 3.331 20 0 DGADLP COc1cc(F)cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651926 1099722735 /nfs/dbraw/zinc/72/27/35/1099722735.db2.gz JSSYWUCNMUPBLK-QGZVFWFLSA-N 2 2 306.425 3.331 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001236678944 1099739507 /nfs/dbraw/zinc/73/95/07/1099739507.db2.gz DUSNHXPRHPDMTF-UYAOXDASSA-N 2 2 310.441 3.232 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001236678944 1099739513 /nfs/dbraw/zinc/73/95/13/1099739513.db2.gz DUSNHXPRHPDMTF-UYAOXDASSA-N 2 2 310.441 3.232 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(OCC)c(F)c2)CC1 ZINC001236693746 1099746108 /nfs/dbraw/zinc/74/61/08/1099746108.db2.gz BNWCIUBTJFBSHF-UHFFFAOYSA-N 2 2 323.456 3.316 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(OCC)c(F)c2)CC1 ZINC001236693746 1099746116 /nfs/dbraw/zinc/74/61/16/1099746116.db2.gz BNWCIUBTJFBSHF-UHFFFAOYSA-N 2 2 323.456 3.316 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cccc4ccoc43)CC2)nc(C)[nH+]1 ZINC001236739357 1099764987 /nfs/dbraw/zinc/76/49/87/1099764987.db2.gz YPVGDNZVSNTDMZ-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@]1(C)O ZINC001236902437 1099864682 /nfs/dbraw/zinc/86/46/82/1099864682.db2.gz BIONJQMJEXSZIK-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@]1(C)O ZINC001236902437 1099864690 /nfs/dbraw/zinc/86/46/90/1099864690.db2.gz BIONJQMJEXSZIK-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP CC(C)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904386 1099865264 /nfs/dbraw/zinc/86/52/64/1099865264.db2.gz UEVHCPLFZMMPDY-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001236904909 1099867325 /nfs/dbraw/zinc/86/73/25/1099867325.db2.gz UHYVDFHZBBXLOL-AWEZNQCLSA-N 2 2 301.409 3.373 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001236904909 1099867331 /nfs/dbraw/zinc/86/73/31/1099867331.db2.gz UHYVDFHZBBXLOL-AWEZNQCLSA-N 2 2 301.409 3.373 20 0 DGADLP CC[N@@H+]1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236914096 1099873457 /nfs/dbraw/zinc/87/34/57/1099873457.db2.gz PZAPODOMIIPYJP-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP CC[N@H+]1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236914096 1099873467 /nfs/dbraw/zinc/87/34/67/1099873467.db2.gz PZAPODOMIIPYJP-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP CO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914592 1099873651 /nfs/dbraw/zinc/87/36/51/1099873651.db2.gz YPYYGVFWFPPSFL-OAHLLOKOSA-N 2 2 305.809 3.137 20 0 DGADLP CO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236914592 1099873657 /nfs/dbraw/zinc/87/36/57/1099873657.db2.gz YPYYGVFWFPPSFL-OAHLLOKOSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCCO1 ZINC001236913056 1099874389 /nfs/dbraw/zinc/87/43/89/1099874389.db2.gz IADQBLALBLQHRH-ZDUSSCGKSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCCO1 ZINC001236913056 1099874397 /nfs/dbraw/zinc/87/43/97/1099874397.db2.gz IADQBLALBLQHRH-ZDUSSCGKSA-N 2 2 305.809 3.137 20 0 DGADLP CCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236916655 1099877633 /nfs/dbraw/zinc/87/76/33/1099877633.db2.gz NTSQQDXZBQEAFT-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP CC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H](C)C1 ZINC001236926277 1099879571 /nfs/dbraw/zinc/87/95/71/1099879571.db2.gz DUSYAWXCZLLRPF-CQSZACIVSA-N 2 2 318.852 3.052 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cncc(-c4ccc(C)cc4)c3)C[C@@H]2C1 ZINC001236996272 1099915763 /nfs/dbraw/zinc/91/57/63/1099915763.db2.gz HSEHMNVKLINYRT-SFTDATJTSA-N 2 2 321.468 3.441 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cncc(-c4ccc(C)cc4)c3)C[C@@H]2C1 ZINC001236996269 1099916345 /nfs/dbraw/zinc/91/63/45/1099916345.db2.gz HSEHMNVKLINYRT-OYRHEFFESA-N 2 2 321.468 3.441 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cncc(-c4ccc(C)cc4)c3)C[C@@H]2C1 ZINC001236996269 1099916357 /nfs/dbraw/zinc/91/63/57/1099916357.db2.gz HSEHMNVKLINYRT-OYRHEFFESA-N 2 2 321.468 3.441 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cncc(-c4ccc(C)cc4)c3)C[C@@H]2C1 ZINC001236996269 1099916372 /nfs/dbraw/zinc/91/63/72/1099916372.db2.gz HSEHMNVKLINYRT-OYRHEFFESA-N 2 2 321.468 3.441 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cncc(-c4ccc(C)cc4)c3)C[C@@H]2C1 ZINC001236996269 1099916381 /nfs/dbraw/zinc/91/63/81/1099916381.db2.gz HSEHMNVKLINYRT-OYRHEFFESA-N 2 2 321.468 3.441 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1OC(C)(C)C)C2 ZINC001237029965 1099937263 /nfs/dbraw/zinc/93/72/63/1099937263.db2.gz VTVQWHNZADIBGT-VQIMIIECSA-N 2 2 302.462 3.247 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1OC(C)(C)C)C2 ZINC001237029965 1099937276 /nfs/dbraw/zinc/93/72/76/1099937276.db2.gz VTVQWHNZADIBGT-VQIMIIECSA-N 2 2 302.462 3.247 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237103592 1099972829 /nfs/dbraw/zinc/97/28/29/1099972829.db2.gz YXOMFOOWGGANRM-UHFFFAOYSA-N 2 2 316.424 3.145 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237103592 1099972833 /nfs/dbraw/zinc/97/28/33/1099972833.db2.gz YXOMFOOWGGANRM-UHFFFAOYSA-N 2 2 316.424 3.145 20 0 DGADLP C[N@H+](Cc1ccnc2c(Cl)cccc12)C1CC[NH+](C)CC1 ZINC001237142026 1099993334 /nfs/dbraw/zinc/99/33/34/1099993334.db2.gz HIGSXNGFCVSRBS-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP C[N@@H+](Cc1ccnc2c(Cl)cccc12)C1CC[NH+](C)CC1 ZINC001237142026 1099993345 /nfs/dbraw/zinc/99/33/45/1099993345.db2.gz HIGSXNGFCVSRBS-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP CCOc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001237143301 1099993850 /nfs/dbraw/zinc/99/38/50/1099993850.db2.gz CWAJIGGFJVSLNJ-QGZVFWFLSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001237143301 1099993862 /nfs/dbraw/zinc/99/38/62/1099993862.db2.gz CWAJIGGFJVSLNJ-QGZVFWFLSA-N 2 2 318.461 3.200 20 0 DGADLP c1cc(C2CCCCC2)ccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237144098 1099994043 /nfs/dbraw/zinc/99/40/43/1099994043.db2.gz IXUTWLYDQMKOOU-HXUWFJFHSA-N 2 2 314.473 3.299 20 0 DGADLP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237144098 1099994051 /nfs/dbraw/zinc/99/40/51/1099994051.db2.gz IXUTWLYDQMKOOU-HXUWFJFHSA-N 2 2 314.473 3.299 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237143824 1099994493 /nfs/dbraw/zinc/99/44/93/1099994493.db2.gz SHLAMDNBEVOOCG-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237143824 1099994505 /nfs/dbraw/zinc/99/45/05/1099994505.db2.gz SHLAMDNBEVOOCG-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP Fc1ccc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237156537 1100004985 /nfs/dbraw/zinc/00/49/85/1100004985.db2.gz XFUFCHMEZJUMGL-INIZCTEOSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1ccc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237156537 1100004993 /nfs/dbraw/zinc/00/49/93/1100004993.db2.gz XFUFCHMEZJUMGL-INIZCTEOSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cccc2cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)[nH]c21 ZINC001237155969 1100005223 /nfs/dbraw/zinc/00/52/23/1100005223.db2.gz LRHZPGOTNLPONU-INIZCTEOSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cccc2cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)[nH]c21 ZINC001237155969 1100005231 /nfs/dbraw/zinc/00/52/31/1100005231.db2.gz LRHZPGOTNLPONU-INIZCTEOSA-N 2 2 301.409 3.414 20 0 DGADLP Clc1cc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2cn1 ZINC001237158496 1100007582 /nfs/dbraw/zinc/00/75/82/1100007582.db2.gz YVRQNKOFOXCWDJ-CQSZACIVSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1cc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2cn1 ZINC001237158496 1100007593 /nfs/dbraw/zinc/00/75/93/1100007593.db2.gz YVRQNKOFOXCWDJ-CQSZACIVSA-N 2 2 318.852 3.323 20 0 DGADLP Fc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC001237162140 1100010894 /nfs/dbraw/zinc/01/08/94/1100010894.db2.gz TXGXAGJYFDFFNG-INIZCTEOSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC001237162140 1100010899 /nfs/dbraw/zinc/01/08/99/1100010899.db2.gz TXGXAGJYFDFFNG-INIZCTEOSA-N 2 2 313.420 3.480 20 0 DGADLP COc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237275875 1100056678 /nfs/dbraw/zinc/05/66/78/1100056678.db2.gz RJWUTRLLUVADSR-UHFFFAOYSA-N 2 2 322.452 3.332 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC001237366797 1100097321 /nfs/dbraw/zinc/09/73/21/1100097321.db2.gz UHGSUXLHVBVBMA-UHFFFAOYSA-N 2 2 320.436 3.216 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cn2)cs1 ZINC001237392619 1100106913 /nfs/dbraw/zinc/10/69/13/1100106913.db2.gz OXZVVUMNIKINCN-MAUKXSAKSA-N 2 2 313.470 3.384 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cn2)cs1 ZINC001237392619 1100106919 /nfs/dbraw/zinc/10/69/19/1100106919.db2.gz OXZVVUMNIKINCN-MAUKXSAKSA-N 2 2 313.470 3.384 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237412664 1100118430 /nfs/dbraw/zinc/11/84/30/1100118430.db2.gz HEDKATRTGYMFSN-GOEBONIOSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237412664 1100118435 /nfs/dbraw/zinc/11/84/35/1100118435.db2.gz HEDKATRTGYMFSN-GOEBONIOSA-N 2 2 323.278 3.331 20 0 DGADLP Clc1ccnc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc12 ZINC001237417627 1100121797 /nfs/dbraw/zinc/12/17/97/1100121797.db2.gz VDSMBKZIACYTMS-YOEHRIQHSA-N 2 2 315.848 3.462 20 0 DGADLP Clc1ccnc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc12 ZINC001237417627 1100121801 /nfs/dbraw/zinc/12/18/01/1100121801.db2.gz VDSMBKZIACYTMS-YOEHRIQHSA-N 2 2 315.848 3.462 20 0 DGADLP Cc1[nH+]cc2n1CCN(Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)C2 ZINC001237879765 1100277895 /nfs/dbraw/zinc/27/78/95/1100277895.db2.gz WWMPKNUDDVSUBJ-UHFFFAOYSA-N 2 2 322.456 3.209 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001238113427 1100366025 /nfs/dbraw/zinc/36/60/25/1100366025.db2.gz LGRBCMXNXNFVKC-LJQANCHMSA-N 2 2 307.397 3.125 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001238113427 1100366033 /nfs/dbraw/zinc/36/60/33/1100366033.db2.gz LGRBCMXNXNFVKC-LJQANCHMSA-N 2 2 307.397 3.125 20 0 DGADLP CC(C)[N@H+](CC(=O)c1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238119513 1100367892 /nfs/dbraw/zinc/36/78/92/1100367892.db2.gz ONTRCERKQANWRX-UHFFFAOYSA-N 2 2 307.397 3.428 20 0 DGADLP CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238119513 1100367900 /nfs/dbraw/zinc/36/79/00/1100367900.db2.gz ONTRCERKQANWRX-UHFFFAOYSA-N 2 2 307.397 3.428 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213759 1100395662 /nfs/dbraw/zinc/39/56/62/1100395662.db2.gz NVBFRJADRYOHFU-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213759 1100395670 /nfs/dbraw/zinc/39/56/70/1100395670.db2.gz NVBFRJADRYOHFU-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213759 1100395682 /nfs/dbraw/zinc/39/56/82/1100395682.db2.gz NVBFRJADRYOHFU-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213759 1100395693 /nfs/dbraw/zinc/39/56/93/1100395693.db2.gz NVBFRJADRYOHFU-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449969 1100459953 /nfs/dbraw/zinc/45/99/53/1100459953.db2.gz KSUNURCLAVULDJ-SUMWQHHRSA-N 2 2 317.477 3.199 20 0 DGADLP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449969 1100459955 /nfs/dbraw/zinc/45/99/55/1100459955.db2.gz KSUNURCLAVULDJ-SUMWQHHRSA-N 2 2 317.477 3.199 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(F)c(OC(C)C)c1 ZINC001238593466 1100478872 /nfs/dbraw/zinc/47/88/72/1100478872.db2.gz CXSDLKVGYMZNPZ-UHFFFAOYSA-N 2 2 311.445 3.172 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(F)c(OC(C)C)c1 ZINC001238593466 1100478874 /nfs/dbraw/zinc/47/88/74/1100478874.db2.gz CXSDLKVGYMZNPZ-UHFFFAOYSA-N 2 2 311.445 3.172 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(Cl)ccc3SC)C[C@@H]2C1 ZINC001238680239 1100499806 /nfs/dbraw/zinc/49/98/06/1100499806.db2.gz JTWFCLLLJOZVCQ-KBPBESRZSA-N 2 2 310.894 3.445 20 0 DGADLP CC(C)c1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(Cl)n1 ZINC001238731942 1100514386 /nfs/dbraw/zinc/51/43/86/1100514386.db2.gz RHADWUHMZIKMDV-UHFFFAOYSA-N 2 2 307.869 3.386 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc(C)c1OC(C)C ZINC001238756536 1100520758 /nfs/dbraw/zinc/52/07/58/1100520758.db2.gz UQVBYHGXILBQGP-UYAOXDASSA-N 2 2 316.489 3.474 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc(C)c1OC(C)C ZINC001238756536 1100520763 /nfs/dbraw/zinc/52/07/63/1100520763.db2.gz UQVBYHGXILBQGP-UYAOXDASSA-N 2 2 316.489 3.474 20 0 DGADLP CC[NH+](CC)CCn1cc(-c2ccccc2Cn2cc[nH+]c2)cn1 ZINC001239207689 1100596695 /nfs/dbraw/zinc/59/66/95/1100596695.db2.gz FOHHYIGGEDUJPZ-UHFFFAOYSA-N 2 2 323.444 3.137 20 0 DGADLP Cn1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001239542027 1100685949 /nfs/dbraw/zinc/68/59/49/1100685949.db2.gz UMIFYHAUWLKTLZ-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001239542027 1100685950 /nfs/dbraw/zinc/68/59/50/1100685950.db2.gz UMIFYHAUWLKTLZ-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001239580256 1100693590 /nfs/dbraw/zinc/69/35/90/1100693590.db2.gz BFXFFPSOVBAWTB-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001239580256 1100693592 /nfs/dbraw/zinc/69/35/92/1100693592.db2.gz BFXFFPSOVBAWTB-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239722566 1100734422 /nfs/dbraw/zinc/73/44/22/1100734422.db2.gz HNYWCQOOEVDTBQ-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239722566 1100734424 /nfs/dbraw/zinc/73/44/24/1100734424.db2.gz HNYWCQOOEVDTBQ-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cnc3ccccc3c2)C1 ZINC001239796913 1100758120 /nfs/dbraw/zinc/75/81/20/1100758120.db2.gz VNXWIPMYCUFCPC-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cnc3ccccc3c2)C1 ZINC001239796913 1100758124 /nfs/dbraw/zinc/75/81/24/1100758124.db2.gz VNXWIPMYCUFCPC-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cnc4ccccc4c3)c2)C1 ZINC001239797171 1100758986 /nfs/dbraw/zinc/75/89/86/1100758986.db2.gz WBGOUKXHSZITHT-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cnc4ccccc4c3)c2)C1 ZINC001239797171 1100758988 /nfs/dbraw/zinc/75/89/88/1100758988.db2.gz WBGOUKXHSZITHT-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccnc4ccccc43)ccn12 ZINC001239852287 1100775797 /nfs/dbraw/zinc/77/57/97/1100775797.db2.gz XKWYDHFJURKCST-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP Cn1ccc2cc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)ccc21 ZINC001239942240 1100806313 /nfs/dbraw/zinc/80/63/13/1100806313.db2.gz HPNLWCUNFRSAHN-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2cc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)ccc21 ZINC001239942240 1100806317 /nfs/dbraw/zinc/80/63/17/1100806317.db2.gz HPNLWCUNFRSAHN-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001240513302 1101031283 /nfs/dbraw/zinc/03/12/83/1101031283.db2.gz KZYDSQGTTCFCER-UHFFFAOYSA-N 3 2 320.440 3.172 20 0 DGADLP Cn1ccc2ccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc21 ZINC001240576307 1101057098 /nfs/dbraw/zinc/05/70/98/1101057098.db2.gz RHPVHPUJQXJPJG-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2ccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc21 ZINC001240576307 1101057106 /nfs/dbraw/zinc/05/71/06/1101057106.db2.gz RHPVHPUJQXJPJG-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441080 1101134356 /nfs/dbraw/zinc/13/43/56/1101134356.db2.gz SOUYZTONXRYBOM-QZTJIDSGSA-N 2 2 308.510 3.192 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441080 1101134360 /nfs/dbraw/zinc/13/43/60/1101134360.db2.gz SOUYZTONXRYBOM-QZTJIDSGSA-N 2 2 308.510 3.192 20 0 DGADLP CC(C)OC(=O)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001195603823 1101160817 /nfs/dbraw/zinc/16/08/17/1101160817.db2.gz DBVKLZZSXQQIPN-SJORKVTESA-N 2 2 312.498 3.205 20 0 DGADLP CC(C)OC(=O)C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001195603823 1101160819 /nfs/dbraw/zinc/16/08/19/1101160819.db2.gz DBVKLZZSXQQIPN-SJORKVTESA-N 2 2 312.498 3.205 20 0 DGADLP CCOc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001241069771 1101242041 /nfs/dbraw/zinc/24/20/41/1101242041.db2.gz CVRGKXSEABABMG-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001241069771 1101242045 /nfs/dbraw/zinc/24/20/45/1101242045.db2.gz CVRGKXSEABABMG-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205771619 1101284343 /nfs/dbraw/zinc/28/43/43/1101284343.db2.gz UHOGBXSOXHMKOL-OAHLLOKOSA-N 2 2 312.404 3.137 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205771619 1101284345 /nfs/dbraw/zinc/28/43/45/1101284345.db2.gz UHOGBXSOXHMKOL-OAHLLOKOSA-N 2 2 312.404 3.137 20 0 DGADLP CCOc1cccc(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241253698 1101325623 /nfs/dbraw/zinc/32/56/23/1101325623.db2.gz RCHWZTGKTUKDBR-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cccc(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241253698 1101325638 /nfs/dbraw/zinc/32/56/38/1101325638.db2.gz RCHWZTGKTUKDBR-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241320831 1101375562 /nfs/dbraw/zinc/37/55/62/1101375562.db2.gz MCUXSWCWPDOSPL-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241320831 1101375576 /nfs/dbraw/zinc/37/55/76/1101375576.db2.gz MCUXSWCWPDOSPL-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241320843 1101376428 /nfs/dbraw/zinc/37/64/28/1101376428.db2.gz MVNOFIYOETXWFR-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241320843 1101376439 /nfs/dbraw/zinc/37/64/39/1101376439.db2.gz MVNOFIYOETXWFR-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241476115 1101492762 /nfs/dbraw/zinc/49/27/62/1101492762.db2.gz DJTYRGWAWHBBPD-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241476115 1101492771 /nfs/dbraw/zinc/49/27/71/1101492771.db2.gz DJTYRGWAWHBBPD-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807110 1101585543 /nfs/dbraw/zinc/58/55/43/1101585543.db2.gz XUNUNPYAMLFZQA-YPMHNXCESA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807110 1101585559 /nfs/dbraw/zinc/58/55/59/1101585559.db2.gz XUNUNPYAMLFZQA-YPMHNXCESA-N 2 2 302.340 3.144 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4ccncc4c3)c2)C1 ZINC001241677551 1101627985 /nfs/dbraw/zinc/62/79/85/1101627985.db2.gz MSHHFCOKNVWPQQ-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4ccncc4c3)c2)C1 ZINC001241677551 1101627988 /nfs/dbraw/zinc/62/79/88/1101627988.db2.gz MSHHFCOKNVWPQQ-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3ccncc3c2)C1 ZINC001241677361 1101628040 /nfs/dbraw/zinc/62/80/40/1101628040.db2.gz IFNAPWHUWXJUAO-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ccncc3c2)C1 ZINC001241677361 1101628043 /nfs/dbraw/zinc/62/80/43/1101628043.db2.gz IFNAPWHUWXJUAO-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP C[NH+](C)CCOc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001242150144 1101941655 /nfs/dbraw/zinc/94/16/55/1101941655.db2.gz IQWJIKDQYUKMNM-UHFFFAOYSA-N 2 2 307.397 3.480 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4c(c3)OCCCO4)c2)C1 ZINC001242207969 1101978521 /nfs/dbraw/zinc/97/85/21/1101978521.db2.gz MGQLEZRXRYIVJF-GOSISDBHSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(c3)OCCCO4)c2)C1 ZINC001242207969 1101978529 /nfs/dbraw/zinc/97/85/29/1101978529.db2.gz MGQLEZRXRYIVJF-GOSISDBHSA-N 2 2 324.424 3.048 20 0 DGADLP COc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242483413 1102161787 /nfs/dbraw/zinc/16/17/87/1102161787.db2.gz GEMDCSCDTKJDIR-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242483413 1102161793 /nfs/dbraw/zinc/16/17/93/1102161793.db2.gz GEMDCSCDTKJDIR-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2OC2CC2)C1 ZINC001242794704 1102347115 /nfs/dbraw/zinc/34/71/15/1102347115.db2.gz MDTAAMMWFONIOT-MRXNPFEDSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2OC2CC2)C1 ZINC001242794704 1102347128 /nfs/dbraw/zinc/34/71/28/1102347128.db2.gz MDTAAMMWFONIOT-MRXNPFEDSA-N 2 2 308.425 3.428 20 0 DGADLP CCOC(=O)c1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001243041495 1102492710 /nfs/dbraw/zinc/49/27/10/1102492710.db2.gz SRBXMAILEDWKRH-GOSISDBHSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001243041495 1102492726 /nfs/dbraw/zinc/49/27/26/1102492726.db2.gz SRBXMAILEDWKRH-GOSISDBHSA-N 2 2 324.424 3.063 20 0 DGADLP CCC[C@H](C)C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001201544366 1102633482 /nfs/dbraw/zinc/63/34/82/1102633482.db2.gz OYZQHCSCBWYXIE-KRWDZBQOSA-N 2 2 317.477 3.189 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(OC(F)F)c3)c2)C1 ZINC001243359716 1102681814 /nfs/dbraw/zinc/68/18/14/1102681814.db2.gz METAUHPLUXVYMV-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(OC(F)F)c3)c2)C1 ZINC001243359716 1102681821 /nfs/dbraw/zinc/68/18/21/1102681821.db2.gz METAUHPLUXVYMV-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP CCCCCC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201746914 1102713011 /nfs/dbraw/zinc/71/30/11/1102713011.db2.gz PPGHJLNZPYHFFN-UHFFFAOYSA-N 2 2 306.498 3.464 20 0 DGADLP CCCCCC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201746914 1102713026 /nfs/dbraw/zinc/71/30/26/1102713026.db2.gz PPGHJLNZPYHFFN-UHFFFAOYSA-N 2 2 306.498 3.464 20 0 DGADLP CCCCCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001201751441 1102715209 /nfs/dbraw/zinc/71/52/09/1102715209.db2.gz VCOUIWGKXQTVPU-UHFFFAOYSA-N 2 2 317.477 3.333 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)c(O)c2)C1 ZINC001243584452 1102829777 /nfs/dbraw/zinc/82/97/77/1102829777.db2.gz SXWWRPFBCOTGPR-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)c(O)c2)C1 ZINC001243584452 1102829797 /nfs/dbraw/zinc/82/97/97/1102829797.db2.gz SXWWRPFBCOTGPR-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(CO)c(Cl)c3)c2)C1 ZINC001243821432 1102995119 /nfs/dbraw/zinc/99/51/19/1102995119.db2.gz GMCVQHOIFDFVMH-KRWDZBQOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(CO)c(Cl)c3)c2)C1 ZINC001243821432 1102995121 /nfs/dbraw/zinc/99/51/21/1102995121.db2.gz GMCVQHOIFDFVMH-KRWDZBQOSA-N 2 2 316.832 3.032 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001244202533 1103278025 /nfs/dbraw/zinc/27/80/25/1103278025.db2.gz SAMQTQAFGFLUSK-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001244202533 1103278035 /nfs/dbraw/zinc/27/80/35/1103278035.db2.gz SAMQTQAFGFLUSK-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1cc(Cl)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244203012 1103278357 /nfs/dbraw/zinc/27/83/57/1103278357.db2.gz ZLXOWAXZJSNYKM-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1cc(Cl)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244203012 1103278370 /nfs/dbraw/zinc/27/83/70/1103278370.db2.gz ZLXOWAXZJSNYKM-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001206607132 1103395759 /nfs/dbraw/zinc/39/57/59/1103395759.db2.gz WKQQZIJRTHVVTG-CCAPLTMGSA-N 2 2 323.278 3.483 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001206607132 1103395771 /nfs/dbraw/zinc/39/57/71/1103395771.db2.gz WKQQZIJRTHVVTG-CCAPLTMGSA-N 2 2 323.278 3.483 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538316 1103677107 /nfs/dbraw/zinc/67/71/07/1103677107.db2.gz QASFPGPBLRNYOU-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538316 1103677112 /nfs/dbraw/zinc/67/71/12/1103677112.db2.gz QASFPGPBLRNYOU-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538316 1103677118 /nfs/dbraw/zinc/67/71/18/1103677118.db2.gz QASFPGPBLRNYOU-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001327538316 1103677124 /nfs/dbraw/zinc/67/71/24/1103677124.db2.gz QASFPGPBLRNYOU-IAGOWNOFSA-N 2 2 310.869 3.178 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001490705191 1103699627 /nfs/dbraw/zinc/69/96/27/1103699627.db2.gz JCCNLTDOQKVKIE-PXAZEXFGSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(Cl)ncc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244919487 1103759957 /nfs/dbraw/zinc/75/99/57/1103759957.db2.gz XABUEPQNGGXBAP-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1cc(Cl)ncc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244919487 1103759964 /nfs/dbraw/zinc/75/99/64/1103759964.db2.gz XABUEPQNGGXBAP-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001244918944 1103760301 /nfs/dbraw/zinc/76/03/01/1103760301.db2.gz PSUQNHYOPAIBAS-CQSZACIVSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001244918944 1103760308 /nfs/dbraw/zinc/76/03/08/1103760308.db2.gz PSUQNHYOPAIBAS-CQSZACIVSA-N 2 2 301.821 3.243 20 0 DGADLP CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997654 1103796483 /nfs/dbraw/zinc/79/64/83/1103796483.db2.gz BZYQKTCDPFAKIT-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997654 1103796486 /nfs/dbraw/zinc/79/64/86/1103796486.db2.gz BZYQKTCDPFAKIT-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997654 1103796497 /nfs/dbraw/zinc/79/64/97/1103796497.db2.gz BZYQKTCDPFAKIT-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997654 1103796507 /nfs/dbraw/zinc/79/65/07/1103796507.db2.gz BZYQKTCDPFAKIT-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001328376177 1103924894 /nfs/dbraw/zinc/92/48/94/1103924894.db2.gz IIRYZYYQPKJBBK-OCCSQVGLSA-N 2 2 305.466 3.151 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cncc(OCC4CC4)c3)cc2)C1 ZINC001245247071 1103936171 /nfs/dbraw/zinc/93/61/71/1103936171.db2.gz NDRKNIWTJRWQJF-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cncc(OCC4CC4)c3)cc2)C1 ZINC001245247071 1103936177 /nfs/dbraw/zinc/93/61/77/1103936177.db2.gz NDRKNIWTJRWQJF-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP Cc1noc2ccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001245282388 1103962044 /nfs/dbraw/zinc/96/20/44/1103962044.db2.gz PNRBILOBMLDEAX-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1noc2ccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001245282388 1103962052 /nfs/dbraw/zinc/96/20/52/1103962052.db2.gz PNRBILOBMLDEAX-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001137154551 1104019787 /nfs/dbraw/zinc/01/97/87/1104019787.db2.gz LBMIAGZLMYZNBJ-HZPDHXFCSA-N 2 2 313.470 3.015 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001328743830 1104050886 /nfs/dbraw/zinc/05/08/86/1104050886.db2.gz CGMUXYYMIJCICW-MRXNPFEDSA-N 2 2 313.449 3.073 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001328743830 1104050897 /nfs/dbraw/zinc/05/08/97/1104050897.db2.gz CGMUXYYMIJCICW-MRXNPFEDSA-N 2 2 313.449 3.073 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001204001952 1104059888 /nfs/dbraw/zinc/05/98/88/1104059888.db2.gz GLEBUCYTVDTKQX-UHFFFAOYSA-N 2 2 308.510 3.436 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001204001952 1104059898 /nfs/dbraw/zinc/05/98/98/1104059898.db2.gz GLEBUCYTVDTKQX-UHFFFAOYSA-N 2 2 308.510 3.436 20 0 DGADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157178 1104173298 /nfs/dbraw/zinc/17/32/98/1104173298.db2.gz VMITUHZMHOBVCD-FGTMMUONSA-N 2 2 319.468 3.033 20 0 DGADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157178 1104173303 /nfs/dbraw/zinc/17/33/03/1104173303.db2.gz VMITUHZMHOBVCD-FGTMMUONSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157178 1104173306 /nfs/dbraw/zinc/17/33/06/1104173306.db2.gz VMITUHZMHOBVCD-FGTMMUONSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157178 1104173310 /nfs/dbraw/zinc/17/33/10/1104173310.db2.gz VMITUHZMHOBVCD-FGTMMUONSA-N 2 2 319.468 3.033 20 0 DGADLP Oc1ccc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1Cl ZINC001245832580 1104257474 /nfs/dbraw/zinc/25/74/74/1104257474.db2.gz KWEGXRRMOAWTHA-UHFFFAOYSA-N 2 2 317.751 3.186 20 0 DGADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246086566 1104377448 /nfs/dbraw/zinc/37/74/48/1104377448.db2.gz DOHAJJPHMFCQSQ-FXAWDEMLSA-N 2 2 324.468 3.175 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246110278 1104389949 /nfs/dbraw/zinc/38/99/49/1104389949.db2.gz HZYLFYQITVTFQC-WDSOQIARSA-N 3 2 319.468 3.049 20 0 DGADLP Clc1ccc(C2CCC([NH2+][C@@H]3CCOC34C[NH2+]C4)CC2)cc1 ZINC001246125024 1104398829 /nfs/dbraw/zinc/39/88/29/1104398829.db2.gz IPHWJNRFSVGESJ-BDVYOWHSSA-N 2 2 320.864 3.087 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)C2 ZINC001246144341 1104404489 /nfs/dbraw/zinc/40/44/89/1104404489.db2.gz TZNYMSLCTMCFCQ-DSKINZAPSA-N 2 2 322.452 3.245 20 0 DGADLP CCC(C)(C)C1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246142326 1104404820 /nfs/dbraw/zinc/40/48/20/1104404820.db2.gz IJHODMYQRZXRMH-DAWZGUTISA-N 3 2 321.553 3.445 20 0 DGADLP Fc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1C(F)(F)F ZINC001246161393 1104411757 /nfs/dbraw/zinc/41/17/57/1104411757.db2.gz LFXIODYKXKFKAC-FOSCPWQOSA-N 2 2 302.315 3.217 20 0 DGADLP FC(F)(F)C1CCC([NH2+]CC[NH2+]Cc2ccccc2)CC1 ZINC001246166936 1104415590 /nfs/dbraw/zinc/41/55/90/1104415590.db2.gz SEBZZXXWGZXDOG-UHFFFAOYSA-N 2 2 300.368 3.487 20 0 DGADLP CC[C@@H]1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](CC)[NH2+]1 ZINC001246172106 1104418676 /nfs/dbraw/zinc/41/86/76/1104418676.db2.gz ZETBZXMYXREBQR-IAGOWNOFSA-N 3 2 312.461 3.271 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246187398 1104428126 /nfs/dbraw/zinc/42/81/26/1104428126.db2.gz ZPBFZOWANWFEEU-IUODEOHRSA-N 2 2 318.358 3.318 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(OC)c2F)CC[NH2+]1 ZINC001246221634 1104443106 /nfs/dbraw/zinc/44/31/06/1104443106.db2.gz DVNSTJOCWODFAG-KGLIPLIRSA-N 2 2 312.404 3.374 20 0 DGADLP Fc1ccc(OC(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246223929 1104446307 /nfs/dbraw/zinc/44/63/07/1104446307.db2.gz UXEYIQQHOOSIPW-FOSCPWQOSA-N 2 2 318.314 3.097 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246226763 1104447742 /nfs/dbraw/zinc/44/77/42/1104447742.db2.gz UBJLGZZFMDMFFJ-QWHCGFSZSA-N 2 2 304.331 3.465 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246231314 1104449451 /nfs/dbraw/zinc/44/94/51/1104449451.db2.gz PRUFGMLJGSCVIS-JTQLQIEISA-N 2 2 304.331 3.465 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246234817 1104450894 /nfs/dbraw/zinc/45/08/94/1104450894.db2.gz MZXUFQONTFKWDE-NHYWBVRUSA-N 2 2 302.796 3.484 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C(O)(c1ccccc1)c1ccccc1 ZINC001246253538 1104460888 /nfs/dbraw/zinc/46/08/88/1104460888.db2.gz ZFFFCYBUJIYJOO-SQGPQFPESA-N 2 2 324.468 3.041 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC001246282131 1104472178 /nfs/dbraw/zinc/47/21/78/1104472178.db2.gz AQLBULNPMQTURJ-LBPRGKRZSA-N 2 2 315.230 3.208 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C[NH2+]1 ZINC001246292133 1104475468 /nfs/dbraw/zinc/47/54/68/1104475468.db2.gz IKTYQFCVDHBBEC-VZJVUDMVSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3cccc(Cl)c3)no2)CC[NH2+]1 ZINC001246308062 1104482760 /nfs/dbraw/zinc/48/27/60/1104482760.db2.gz IQJUYUOTBSJJCQ-RISCZKNCSA-N 2 2 305.809 3.225 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCOCC2)c2ccccc2)C[NH2+]1 ZINC001246453222 1104544022 /nfs/dbraw/zinc/54/40/22/1104544022.db2.gz AWUHPHQHTRPVRU-ATZDWAIDSA-N 2 2 302.462 3.275 20 0 DGADLP CC(=O)OC(C)(C)CCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001274958338 1104560814 /nfs/dbraw/zinc/56/08/14/1104560814.db2.gz BIXSWLQPGKMVLJ-UHFFFAOYSA-N 2 2 322.493 3.059 20 0 DGADLP CC(=O)OC(C)(C)CCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001274958338 1104560822 /nfs/dbraw/zinc/56/08/22/1104560822.db2.gz BIXSWLQPGKMVLJ-UHFFFAOYSA-N 2 2 322.493 3.059 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccn2C2CC2)cn1 ZINC001330530187 1104568118 /nfs/dbraw/zinc/56/81/18/1104568118.db2.gz VXTGFIYKXCHRNU-UHFFFAOYSA-N 2 2 307.401 3.002 20 0 DGADLP Brc1ccc2c(c1)NCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246502811 1104568610 /nfs/dbraw/zinc/56/86/10/1104568610.db2.gz XMDUPFQCSNBBCX-TZMCWYRMSA-N 2 2 324.266 3.038 20 0 DGADLP Brc1ccc2c(c1)NCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246502806 1104569121 /nfs/dbraw/zinc/56/91/21/1104569121.db2.gz XMDUPFQCSNBBCX-JSGCOSHPSA-N 2 2 324.266 3.038 20 0 DGADLP CCc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509902 1104570184 /nfs/dbraw/zinc/57/01/84/1104570184.db2.gz KKPFNRSLSLTGGZ-QRWLVFNGSA-N 2 2 312.457 3.478 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001246513121 1104572584 /nfs/dbraw/zinc/57/25/84/1104572584.db2.gz VQCKIWSWUUCTCN-WMZOPIPTSA-N 2 2 316.832 3.105 20 0 DGADLP CC[C@@H]1CC([NH2+][C@H]2COc3c2cccc3OC)C[C@@H](CC)[NH2+]1 ZINC001246516208 1104574485 /nfs/dbraw/zinc/57/44/85/1104574485.db2.gz UVYPGIQJRVWRCM-IOASZLSFSA-N 2 2 304.434 3.028 20 0 DGADLP CCCC1CCC([NH2+]C[C@H]([NH3+])c2ccc(C(=O)OC)cc2)CC1 ZINC001246528848 1104580465 /nfs/dbraw/zinc/58/04/65/1104580465.db2.gz ZHSHFAWWDHYIRV-UYJHFMRCSA-N 2 2 318.461 3.422 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536883 1104581143 /nfs/dbraw/zinc/58/11/43/1104581143.db2.gz TZIQRZGDSQCDQB-MJGOQNOKSA-N 2 2 309.457 3.424 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536883 1104581149 /nfs/dbraw/zinc/58/11/49/1104581149.db2.gz TZIQRZGDSQCDQB-MJGOQNOKSA-N 2 2 309.457 3.424 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246536152 1104582400 /nfs/dbraw/zinc/58/24/00/1104582400.db2.gz NAJFJRXLRRGEPL-QINHECLXSA-N 2 2 309.457 3.422 20 0 DGADLP C[C@@H]1CC([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246536152 1104582407 /nfs/dbraw/zinc/58/24/07/1104582407.db2.gz NAJFJRXLRRGEPL-QINHECLXSA-N 2 2 309.457 3.422 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001330626188 1104598154 /nfs/dbraw/zinc/59/81/54/1104598154.db2.gz ZBGADRUSCSWZEP-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001330626188 1104598165 /nfs/dbraw/zinc/59/81/65/1104598165.db2.gz ZBGADRUSCSWZEP-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246601384 1104618000 /nfs/dbraw/zinc/61/80/00/1104618000.db2.gz IFEUOOCBHTZSTK-CJNGLKHVSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246601384 1104618006 /nfs/dbraw/zinc/61/80/06/1104618006.db2.gz IFEUOOCBHTZSTK-CJNGLKHVSA-N 2 2 312.379 3.464 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CC2 ZINC001246606737 1104622591 /nfs/dbraw/zinc/62/25/91/1104622591.db2.gz BLLLGKGXUMNQLL-MRXNPFEDSA-N 2 2 320.427 3.430 20 0 DGADLP COc1cccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001246613770 1104628619 /nfs/dbraw/zinc/62/86/19/1104628619.db2.gz MGEWOTWONWNFQX-VQIMIIECSA-N 2 2 302.462 3.234 20 0 DGADLP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001246613770 1104628624 /nfs/dbraw/zinc/62/86/24/1104628624.db2.gz MGEWOTWONWNFQX-VQIMIIECSA-N 2 2 302.462 3.234 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621793 1104632610 /nfs/dbraw/zinc/63/26/10/1104632610.db2.gz QADVJACLTXZNOR-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621793 1104632613 /nfs/dbraw/zinc/63/26/13/1104632613.db2.gz QADVJACLTXZNOR-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631467 1104636952 /nfs/dbraw/zinc/63/69/52/1104636952.db2.gz PNUKGUVNGBAKCY-XMZIXOGTSA-N 2 2 314.807 3.233 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631467 1104636956 /nfs/dbraw/zinc/63/69/56/1104636956.db2.gz PNUKGUVNGBAKCY-XMZIXOGTSA-N 2 2 314.807 3.233 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633089 1104638414 /nfs/dbraw/zinc/63/84/14/1104638414.db2.gz DJBRJBZAGRKCRP-DUVNUKRYSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633089 1104638416 /nfs/dbraw/zinc/63/84/16/1104638416.db2.gz DJBRJBZAGRKCRP-DUVNUKRYSA-N 2 2 323.278 3.064 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3[NH2+]C[C@H]3C1)C2 ZINC001246632253 1104638544 /nfs/dbraw/zinc/63/85/44/1104638544.db2.gz WGOVDNKMWJGEPW-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CC[C@H]3[NH2+]C[C@H]3C1)C2 ZINC001246632253 1104638547 /nfs/dbraw/zinc/63/85/47/1104638547.db2.gz WGOVDNKMWJGEPW-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815332 1104688378 /nfs/dbraw/zinc/68/83/78/1104688378.db2.gz XYYLGVBKYBTSEK-PWSUYJOCSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815332 1104688380 /nfs/dbraw/zinc/68/83/80/1104688380.db2.gz XYYLGVBKYBTSEK-PWSUYJOCSA-N 2 2 315.230 3.161 20 0 DGADLP c1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CCC3)nc2c1 ZINC001275182290 1104670663 /nfs/dbraw/zinc/67/06/63/1104670663.db2.gz NZUXJKFJACFVSQ-ALOPSCKCSA-N 2 2 324.472 3.448 20 0 DGADLP c1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CCC3)nc2c1 ZINC001275182290 1104670667 /nfs/dbraw/zinc/67/06/67/1104670667.db2.gz NZUXJKFJACFVSQ-ALOPSCKCSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782061 1104672518 /nfs/dbraw/zinc/67/25/18/1104672518.db2.gz WZOYMTCYOJXNND-MAUKXSAKSA-N 2 2 319.468 3.114 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785634 1104674068 /nfs/dbraw/zinc/67/40/68/1104674068.db2.gz BXDJMMDJLJAJEU-IRXDYDNUSA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785634 1104674072 /nfs/dbraw/zinc/67/40/72/1104674072.db2.gz BXDJMMDJLJAJEU-IRXDYDNUSA-N 2 2 308.853 3.073 20 0 DGADLP CC[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246795915 1104679309 /nfs/dbraw/zinc/67/93/09/1104679309.db2.gz JRUFVSSKMCMWEA-MJGOQNOKSA-N 3 2 319.468 3.001 20 0 DGADLP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246795915 1104679313 /nfs/dbraw/zinc/67/93/13/1104679313.db2.gz JRUFVSSKMCMWEA-MJGOQNOKSA-N 3 2 319.468 3.001 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC001246807721 1104683559 /nfs/dbraw/zinc/68/35/59/1104683559.db2.gz QMNSVKGIQKIROV-AOIWGVFYSA-N 2 2 320.452 3.428 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC001246807721 1104683566 /nfs/dbraw/zinc/68/35/66/1104683566.db2.gz QMNSVKGIQKIROV-AOIWGVFYSA-N 2 2 320.452 3.428 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC001246822538 1104691228 /nfs/dbraw/zinc/69/12/28/1104691228.db2.gz BPYLLRWLNIPOIR-TZMCWYRMSA-N 2 2 310.844 3.484 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824989 1104693261 /nfs/dbraw/zinc/69/32/61/1104693261.db2.gz RMHLDLCUGJUXDB-HZPDHXFCSA-N 2 2 308.466 3.446 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824989 1104693266 /nfs/dbraw/zinc/69/32/66/1104693266.db2.gz RMHLDLCUGJUXDB-HZPDHXFCSA-N 2 2 308.466 3.446 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824943 1104693617 /nfs/dbraw/zinc/69/36/17/1104693617.db2.gz RFVVCWXJZQAUSU-IKGGRYGDSA-N 2 2 308.466 3.446 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824943 1104693620 /nfs/dbraw/zinc/69/36/20/1104693620.db2.gz RFVVCWXJZQAUSU-IKGGRYGDSA-N 2 2 308.466 3.446 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866158 1104712335 /nfs/dbraw/zinc/71/23/35/1104712335.db2.gz ARFSKDNYFVHBNE-AQNXPRMDSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866158 1104712342 /nfs/dbraw/zinc/71/23/42/1104712342.db2.gz ARFSKDNYFVHBNE-AQNXPRMDSA-N 2 2 316.489 3.241 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c[nH]c(-c4ccccc4)n3)(C1)CCC2 ZINC001275332729 1104726483 /nfs/dbraw/zinc/72/64/83/1104726483.db2.gz AWMZRJOJVFMGQK-RBUKOAKNSA-N 2 2 310.445 3.231 20 0 DGADLP Fc1ccc(C[N@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246936233 1104743169 /nfs/dbraw/zinc/74/31/69/1104743169.db2.gz MWGFSGAGUUEOQC-IRXDYDNUSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1ccc(C[N@@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246936233 1104743172 /nfs/dbraw/zinc/74/31/72/1104743172.db2.gz MWGFSGAGUUEOQC-IRXDYDNUSA-N 2 2 308.466 3.275 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)CC2 ZINC001246962078 1104752863 /nfs/dbraw/zinc/75/28/63/1104752863.db2.gz JHFKAADZGRZUQV-SFTDATJTSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)CC2 ZINC001246962078 1104752866 /nfs/dbraw/zinc/75/28/66/1104752866.db2.gz JHFKAADZGRZUQV-SFTDATJTSA-N 2 2 321.468 3.111 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246975491 1104757795 /nfs/dbraw/zinc/75/77/95/1104757795.db2.gz UHTUAUZMERMLCO-JFIYKMOQSA-N 3 2 317.477 3.152 20 0 DGADLP CC[C@@H]1CC([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246975491 1104757801 /nfs/dbraw/zinc/75/78/01/1104757801.db2.gz UHTUAUZMERMLCO-JFIYKMOQSA-N 3 2 317.477 3.152 20 0 DGADLP CCOC(=O)C1CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975304 1104758538 /nfs/dbraw/zinc/75/85/38/1104758538.db2.gz BTCORLSYPTUFLS-VJFUWPCTSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975304 1104758543 /nfs/dbraw/zinc/75/85/43/1104758543.db2.gz BTCORLSYPTUFLS-VJFUWPCTSA-N 2 2 322.493 3.105 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979956 1104761300 /nfs/dbraw/zinc/76/13/00/1104761300.db2.gz PKUWLGWQLSSWBV-MJGOQNOKSA-N 3 2 309.542 3.494 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979956 1104761304 /nfs/dbraw/zinc/76/13/04/1104761304.db2.gz PKUWLGWQLSSWBV-MJGOQNOKSA-N 3 2 309.542 3.494 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988460 1104764787 /nfs/dbraw/zinc/76/47/87/1104764787.db2.gz HLQBQVVAEPMHKK-QFBILLFUSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988460 1104764793 /nfs/dbraw/zinc/76/47/93/1104764793.db2.gz HLQBQVVAEPMHKK-QFBILLFUSA-N 3 2 321.553 3.349 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246993623 1104767541 /nfs/dbraw/zinc/76/75/41/1104767541.db2.gz OPDQNWAUFDJSGJ-ZWKOTPCHSA-N 3 2 309.542 3.349 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246993623 1104767548 /nfs/dbraw/zinc/76/75/48/1104767548.db2.gz OPDQNWAUFDJSGJ-ZWKOTPCHSA-N 3 2 309.542 3.349 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246995341 1104768750 /nfs/dbraw/zinc/76/87/50/1104768750.db2.gz UGNJDZYNSDXJFU-ROUUACIJSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246995341 1104768756 /nfs/dbraw/zinc/76/87/56/1104768756.db2.gz UGNJDZYNSDXJFU-ROUUACIJSA-N 2 2 324.424 3.340 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001247009547 1104775977 /nfs/dbraw/zinc/77/59/77/1104775977.db2.gz RPLUDZGSWFCHRZ-ROUUACIJSA-N 2 2 316.445 3.142 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001247009547 1104775980 /nfs/dbraw/zinc/77/59/80/1104775980.db2.gz RPLUDZGSWFCHRZ-ROUUACIJSA-N 2 2 316.445 3.142 20 0 DGADLP c1cc(N2CCCC2)cc2[nH+]c(-c3ccc4c(c3)CC[NH2+]C4)[nH]c12 ZINC001247016015 1104780352 /nfs/dbraw/zinc/78/03/52/1104780352.db2.gz YDHUFDKXHHTWER-UHFFFAOYSA-N 2 2 318.424 3.476 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275606824 1104830285 /nfs/dbraw/zinc/83/02/85/1104830285.db2.gz HREYGTNSMUSGKQ-HNNXBMFYSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275606824 1104830293 /nfs/dbraw/zinc/83/02/93/1104830293.db2.gz HREYGTNSMUSGKQ-HNNXBMFYSA-N 2 2 305.466 3.103 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cccc4ccoc43)no2)cc1 ZINC001247698161 1104958760 /nfs/dbraw/zinc/95/87/60/1104958760.db2.gz JKTVGYXAYMHAAJ-HNNXBMFYSA-N 2 2 320.352 3.108 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC001247701915 1104959410 /nfs/dbraw/zinc/95/94/10/1104959410.db2.gz SYCYLEOTESUDJL-CQSZACIVSA-N 2 2 314.776 3.016 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]C[C@@H]3C[C@H]3C)(C1)CCC2 ZINC001276032238 1104992098 /nfs/dbraw/zinc/99/20/98/1104992098.db2.gz MREIGKMMUIFPTQ-JFRXWTBNSA-N 2 2 316.493 3.084 20 0 DGADLP C[C@H]1C[C@@H]1C[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001276032468 1104992634 /nfs/dbraw/zinc/99/26/34/1104992634.db2.gz NPPBDYFQCAJONT-JKSUJKDBSA-N 2 2 324.472 3.117 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@]3(CCC[NH+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102118 1105017973 /nfs/dbraw/zinc/01/79/73/1105017973.db2.gz ZVTOFLBUONNEEE-IBGZPJMESA-N 2 2 312.461 3.221 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@]3(CCC[NH+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102118 1105017980 /nfs/dbraw/zinc/01/79/80/1105017980.db2.gz ZVTOFLBUONNEEE-IBGZPJMESA-N 2 2 312.461 3.221 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@H+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102118 1105017985 /nfs/dbraw/zinc/01/79/85/1105017985.db2.gz ZVTOFLBUONNEEE-IBGZPJMESA-N 2 2 312.461 3.221 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@@H+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102118 1105017991 /nfs/dbraw/zinc/01/79/91/1105017991.db2.gz ZVTOFLBUONNEEE-IBGZPJMESA-N 2 2 312.461 3.221 20 0 DGADLP Cc1[nH+]c[nH]c1CN1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276206933 1105047601 /nfs/dbraw/zinc/04/76/01/1105047601.db2.gz PTOICTZTGDMRDJ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP Cc1[nH+]c[nH]c1CN1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276206933 1105047605 /nfs/dbraw/zinc/04/76/05/1105047605.db2.gz PTOICTZTGDMRDJ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001256825835 1105076483 /nfs/dbraw/zinc/07/64/83/1105076483.db2.gz CNDNRZGKDBQJOS-OCCSQVGLSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001256825835 1105076492 /nfs/dbraw/zinc/07/64/92/1105076492.db2.gz CNDNRZGKDBQJOS-OCCSQVGLSA-N 2 2 311.267 3.064 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC001248802457 1105165166 /nfs/dbraw/zinc/16/51/66/1105165166.db2.gz HGUTZJJXDKTGDA-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)nc1C ZINC001249902919 1105404056 /nfs/dbraw/zinc/40/40/56/1105404056.db2.gz RJDXDEMHOQNQKO-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)nc1C ZINC001249902919 1105404061 /nfs/dbraw/zinc/40/40/61/1105404061.db2.gz RJDXDEMHOQNQKO-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc1C ZINC001249913530 1105406787 /nfs/dbraw/zinc/40/67/87/1105406787.db2.gz CSBKSXUJHZSKFJ-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc1C ZINC001249913530 1105406792 /nfs/dbraw/zinc/40/67/92/1105406792.db2.gz CSBKSXUJHZSKFJ-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001250061380 1105434948 /nfs/dbraw/zinc/43/49/48/1105434948.db2.gz ZUYHMLIEXNBREU-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001250061380 1105434953 /nfs/dbraw/zinc/43/49/53/1105434953.db2.gz ZUYHMLIEXNBREU-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OCC ZINC001250064865 1105436605 /nfs/dbraw/zinc/43/66/05/1105436605.db2.gz OJPLKCAWVVCLCJ-UHFFFAOYSA-N 2 2 308.466 3.258 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OCC ZINC001250064865 1105436607 /nfs/dbraw/zinc/43/66/07/1105436607.db2.gz OJPLKCAWVVCLCJ-UHFFFAOYSA-N 2 2 308.466 3.258 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001250071026 1105437272 /nfs/dbraw/zinc/43/72/72/1105437272.db2.gz DDMLAMLIHJFPMZ-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001250071026 1105437274 /nfs/dbraw/zinc/43/72/74/1105437274.db2.gz DDMLAMLIHJFPMZ-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137379438 1105505432 /nfs/dbraw/zinc/50/54/32/1105505432.db2.gz UQUPPIZTYINLBL-UHFFFAOYSA-N 2 2 312.461 3.338 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394855 1105513034 /nfs/dbraw/zinc/51/30/34/1105513034.db2.gz AQZIZGBGHXNCGS-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394855 1105513040 /nfs/dbraw/zinc/51/30/40/1105513040.db2.gz AQZIZGBGHXNCGS-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394855 1105513046 /nfs/dbraw/zinc/51/30/46/1105513046.db2.gz AQZIZGBGHXNCGS-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394855 1105513052 /nfs/dbraw/zinc/51/30/52/1105513052.db2.gz AQZIZGBGHXNCGS-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP Cc1ccc(-c2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)cc1 ZINC001250480348 1105521939 /nfs/dbraw/zinc/52/19/39/1105521939.db2.gz HURAJRXXAFSMDJ-UHFFFAOYSA-N 2 2 306.413 3.290 20 0 DGADLP Cc1cc(F)ccc1-c1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250905986 1105602645 /nfs/dbraw/zinc/60/26/45/1105602645.db2.gz LPMCYFHGYOYHQI-UHFFFAOYSA-N 2 2 324.403 3.429 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSC(C)(C)C ZINC001251862291 1105702955 /nfs/dbraw/zinc/70/29/55/1105702955.db2.gz KWFXTYVXNKQWIZ-UHFFFAOYSA-N 2 2 304.419 3.046 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001253175012 1105899020 /nfs/dbraw/zinc/89/90/20/1105899020.db2.gz AWTNADBLLPYIEF-GOSISDBHSA-N 2 2 322.880 3.132 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001253175012 1105899026 /nfs/dbraw/zinc/89/90/26/1105899026.db2.gz AWTNADBLLPYIEF-GOSISDBHSA-N 2 2 322.880 3.132 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001253195114 1105901267 /nfs/dbraw/zinc/90/12/67/1105901267.db2.gz NMPWTDFWTPJPGQ-WMLDXEAASA-N 2 2 324.896 3.004 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001253195114 1105901270 /nfs/dbraw/zinc/90/12/70/1105901270.db2.gz NMPWTDFWTPJPGQ-WMLDXEAASA-N 2 2 324.896 3.004 20 0 DGADLP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253398670 1105934835 /nfs/dbraw/zinc/93/48/35/1105934835.db2.gz YEWGAOLCUZLLCC-CQSZACIVSA-N 2 2 319.276 3.174 20 0 DGADLP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253398670 1105934838 /nfs/dbraw/zinc/93/48/38/1105934838.db2.gz YEWGAOLCUZLLCC-CQSZACIVSA-N 2 2 319.276 3.174 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@@H](O)C(C)(C)C)CC1 ZINC001253732869 1105976139 /nfs/dbraw/zinc/97/61/39/1105976139.db2.gz QBGJKWMWIDIXLB-GOSISDBHSA-N 2 2 322.468 3.129 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@@H](O)C(C)(C)C)CC1 ZINC001253732869 1105976142 /nfs/dbraw/zinc/97/61/42/1105976142.db2.gz QBGJKWMWIDIXLB-GOSISDBHSA-N 2 2 322.468 3.129 20 0 DGADLP CC[NH+]([C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254526973 1106093773 /nfs/dbraw/zinc/09/37/73/1106093773.db2.gz VBCIPXHMXWXDIR-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP CC[NH+]([C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254526973 1106093779 /nfs/dbraw/zinc/09/37/79/1106093779.db2.gz VBCIPXHMXWXDIR-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP OCC[C@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254840890 1106146657 /nfs/dbraw/zinc/14/66/57/1106146657.db2.gz PTSJYNZPWIPIGG-RXVVDRJESA-N 2 2 324.468 3.337 20 0 DGADLP COc1ccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCC2)cc1 ZINC001254847546 1106147808 /nfs/dbraw/zinc/14/78/08/1106147808.db2.gz FZOJMYGTRIGYLQ-SFHVURJKSA-N 2 2 314.473 3.234 20 0 DGADLP c1ccc2c(c1)CCC21CC[NH+]([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254856958 1106149839 /nfs/dbraw/zinc/14/98/39/1106149839.db2.gz YBLIOCAACYQSKG-LJQANCHMSA-N 2 2 310.485 3.451 20 0 DGADLP c1ccc2c(c1)CCC21CC[NH+]([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254856957 1106149961 /nfs/dbraw/zinc/14/99/61/1106149961.db2.gz YBLIOCAACYQSKG-IBGZPJMESA-N 2 2 310.485 3.451 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129497 1106186459 /nfs/dbraw/zinc/18/64/59/1106186459.db2.gz ZTSPLYWKNOAFRJ-FCGDIQPGSA-N 2 2 312.457 3.283 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129497 1106186460 /nfs/dbraw/zinc/18/64/60/1106186460.db2.gz ZTSPLYWKNOAFRJ-FCGDIQPGSA-N 2 2 312.457 3.283 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136384 1106188391 /nfs/dbraw/zinc/18/83/91/1106188391.db2.gz KFEUBZFYNUYDCX-FNPVLLODSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136384 1106188394 /nfs/dbraw/zinc/18/83/94/1106188394.db2.gz KFEUBZFYNUYDCX-FNPVLLODSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136384 1106188398 /nfs/dbraw/zinc/18/83/98/1106188398.db2.gz KFEUBZFYNUYDCX-FNPVLLODSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255136384 1106188402 /nfs/dbraw/zinc/18/84/02/1106188402.db2.gz KFEUBZFYNUYDCX-FNPVLLODSA-N 2 2 314.473 3.291 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150730 1106190688 /nfs/dbraw/zinc/19/06/88/1106190688.db2.gz YCSWICZJMXVVTK-UJMXGEILSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150730 1106190691 /nfs/dbraw/zinc/19/06/91/1106190691.db2.gz YCSWICZJMXVVTK-UJMXGEILSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150730 1106190695 /nfs/dbraw/zinc/19/06/95/1106190695.db2.gz YCSWICZJMXVVTK-UJMXGEILSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150730 1106190699 /nfs/dbraw/zinc/19/06/99/1106190699.db2.gz YCSWICZJMXVVTK-UJMXGEILSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3(c4cnccn4)CC3)CC2)cc1 ZINC001255392224 1106239795 /nfs/dbraw/zinc/23/97/95/1106239795.db2.gz HHFDVDNPFJSEPJ-SFHVURJKSA-N 2 2 322.456 3.110 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3(c4cnccn4)CC3)CC2)cc1 ZINC001255392224 1106239797 /nfs/dbraw/zinc/23/97/97/1106239797.db2.gz HHFDVDNPFJSEPJ-SFHVURJKSA-N 2 2 322.456 3.110 20 0 DGADLP F[C@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400340 1106244463 /nfs/dbraw/zinc/24/44/63/1106244463.db2.gz IRIIDODWNUESEP-RDGPPVDQSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400340 1106244467 /nfs/dbraw/zinc/24/44/67/1106244467.db2.gz IRIIDODWNUESEP-RDGPPVDQSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400340 1106244468 /nfs/dbraw/zinc/24/44/68/1106244468.db2.gz IRIIDODWNUESEP-RDGPPVDQSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400340 1106244473 /nfs/dbraw/zinc/24/44/73/1106244473.db2.gz IRIIDODWNUESEP-RDGPPVDQSA-N 2 2 302.437 3.331 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CCO1 ZINC001255529444 1106264597 /nfs/dbraw/zinc/26/45/97/1106264597.db2.gz JCDGURCFGOAYKT-OALUTQOASA-N 2 2 316.489 3.241 20 0 DGADLP COC[C@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001255576041 1106272801 /nfs/dbraw/zinc/27/28/01/1106272801.db2.gz RBSIEGNQOLNMLA-ZDUSSCGKSA-N 2 2 311.385 3.028 20 0 DGADLP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001255654095 1106286551 /nfs/dbraw/zinc/28/65/51/1106286551.db2.gz YYZYAHOJTDJUPA-JHJVBQTASA-N 2 2 318.408 3.453 20 0 DGADLP C[C@H](Cc1ccccc1F)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001255857813 1106329730 /nfs/dbraw/zinc/32/97/30/1106329730.db2.gz SMWTZGPEXOFMAM-OAHLLOKOSA-N 2 2 313.420 3.410 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001255951818 1106348295 /nfs/dbraw/zinc/34/82/95/1106348295.db2.gz KCNQZFXXQDHFMS-SFHVURJKSA-N 3 2 317.521 3.143 20 0 DGADLP CCCC[NH+](CCCC)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256068116 1106363341 /nfs/dbraw/zinc/36/33/41/1106363341.db2.gz VYZWJGAVACGIPX-UHFFFAOYSA-N 3 2 309.542 3.495 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+]CC2C[NH+](Cc3ccccc3)C2)c1 ZINC001256145812 1106377223 /nfs/dbraw/zinc/37/72/23/1106377223.db2.gz LLQHYLJXZUVYKA-QGZVFWFLSA-N 2 2 324.468 3.348 20 0 DGADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256300166 1106401957 /nfs/dbraw/zinc/40/19/57/1106401957.db2.gz CVPVXZICVZSYBJ-KRWDZBQOSA-N 2 2 321.896 3.381 20 0 DGADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256300166 1106401958 /nfs/dbraw/zinc/40/19/58/1106401958.db2.gz CVPVXZICVZSYBJ-KRWDZBQOSA-N 2 2 321.896 3.381 20 0 DGADLP CC(C)CC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001256366443 1106410955 /nfs/dbraw/zinc/41/09/55/1106410955.db2.gz XQMUQYKUSGARAE-OKZBNKHCSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001256366443 1106410957 /nfs/dbraw/zinc/41/09/57/1106410957.db2.gz XQMUQYKUSGARAE-OKZBNKHCSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001256366443 1106410959 /nfs/dbraw/zinc/41/09/59/1106410959.db2.gz XQMUQYKUSGARAE-OKZBNKHCSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001256366443 1106410961 /nfs/dbraw/zinc/41/09/61/1106410961.db2.gz XQMUQYKUSGARAE-OKZBNKHCSA-N 2 2 301.478 3.270 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536599 1106437119 /nfs/dbraw/zinc/43/71/19/1106437119.db2.gz KTYPUTRRBHUYCN-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536599 1106437120 /nfs/dbraw/zinc/43/71/20/1106437120.db2.gz KTYPUTRRBHUYCN-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538115 1106438460 /nfs/dbraw/zinc/43/84/60/1106438460.db2.gz QXZQPTLNYZESNZ-VXNCWWDNSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538115 1106438464 /nfs/dbraw/zinc/43/84/64/1106438464.db2.gz QXZQPTLNYZESNZ-VXNCWWDNSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538115 1106438467 /nfs/dbraw/zinc/43/84/67/1106438467.db2.gz QXZQPTLNYZESNZ-VXNCWWDNSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538115 1106438468 /nfs/dbraw/zinc/43/84/68/1106438468.db2.gz QXZQPTLNYZESNZ-VXNCWWDNSA-N 2 2 302.462 3.149 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552256 1106441458 /nfs/dbraw/zinc/44/14/58/1106441458.db2.gz ATMKDIPJSZWKMP-AZUAARDMSA-N 3 2 317.521 3.313 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552256 1106441459 /nfs/dbraw/zinc/44/14/59/1106441459.db2.gz ATMKDIPJSZWKMP-AZUAARDMSA-N 3 2 317.521 3.313 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3OCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553752 1106442094 /nfs/dbraw/zinc/44/20/94/1106442094.db2.gz JUFRFHMXGCINPB-VBSBHUPXSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3OCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256553752 1106442097 /nfs/dbraw/zinc/44/20/97/1106442097.db2.gz JUFRFHMXGCINPB-VBSBHUPXSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553752 1106442099 /nfs/dbraw/zinc/44/20/99/1106442099.db2.gz JUFRFHMXGCINPB-VBSBHUPXSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553752 1106442100 /nfs/dbraw/zinc/44/21/00/1106442100.db2.gz JUFRFHMXGCINPB-VBSBHUPXSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC3(CSC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561179 1106444922 /nfs/dbraw/zinc/44/49/22/1106444922.db2.gz VYWPBMUKWGHTJR-WBVHZDCISA-N 2 2 302.487 3.088 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC3(CSC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561179 1106444924 /nfs/dbraw/zinc/44/49/24/1106444924.db2.gz VYWPBMUKWGHTJR-WBVHZDCISA-N 2 2 302.487 3.088 20 0 DGADLP C[N@H+](Cc1cnc2ccccn12)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569576 1106447418 /nfs/dbraw/zinc/44/74/18/1106447418.db2.gz KJFQWYKGXHHQGW-UHFFFAOYSA-N 2 2 300.450 3.029 20 0 DGADLP C[N@@H+](Cc1cnc2ccccn12)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569576 1106447419 /nfs/dbraw/zinc/44/74/19/1106447419.db2.gz KJFQWYKGXHHQGW-UHFFFAOYSA-N 2 2 300.450 3.029 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC001256573189 1106448535 /nfs/dbraw/zinc/44/85/35/1106448535.db2.gz FCYCBWPEXGHHRH-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC001256573189 1106448537 /nfs/dbraw/zinc/44/85/37/1106448537.db2.gz FCYCBWPEXGHHRH-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP C[C@@](CO)([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001256601664 1106451402 /nfs/dbraw/zinc/45/14/02/1106451402.db2.gz WASLSIXWOVSDOH-NRFANRHFSA-N 2 2 324.468 3.148 20 0 DGADLP Cc1ccc([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256605025 1106452318 /nfs/dbraw/zinc/45/23/18/1106452318.db2.gz XFEHOFXLZRRBEG-OAQYLSRUSA-N 2 2 324.468 3.283 20 0 DGADLP CC1(C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001256610844 1106453962 /nfs/dbraw/zinc/45/39/62/1106453962.db2.gz IRWPEFRHCORDDD-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP CC1(C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001256610844 1106453964 /nfs/dbraw/zinc/45/39/64/1106453964.db2.gz IRWPEFRHCORDDD-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001256732706 1106476014 /nfs/dbraw/zinc/47/60/14/1106476014.db2.gz QIUOUYBCPRKZNO-HNNXBMFYSA-N 2 2 313.420 3.102 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256793573 1106484832 /nfs/dbraw/zinc/48/48/32/1106484832.db2.gz BXBDAQWQXQUEDA-GBESFXJTSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256793573 1106484836 /nfs/dbraw/zinc/48/48/36/1106484836.db2.gz BXBDAQWQXQUEDA-GBESFXJTSA-N 2 2 302.462 3.227 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796622 1106485843 /nfs/dbraw/zinc/48/58/43/1106485843.db2.gz SHZLEMUFBDSZPT-LNLFQRSKSA-N 2 2 300.446 3.123 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796622 1106485847 /nfs/dbraw/zinc/48/58/47/1106485847.db2.gz SHZLEMUFBDSZPT-LNLFQRSKSA-N 2 2 300.446 3.123 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001257219441 1106553315 /nfs/dbraw/zinc/55/33/15/1106553315.db2.gz DKALRVQUUADJGE-INIZCTEOSA-N 2 2 324.415 3.291 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001257219441 1106553318 /nfs/dbraw/zinc/55/33/18/1106553318.db2.gz DKALRVQUUADJGE-INIZCTEOSA-N 2 2 324.415 3.291 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001257222193 1106554270 /nfs/dbraw/zinc/55/42/70/1106554270.db2.gz WKTDPPIMNSBEQM-OALUTQOASA-N 3 2 307.526 3.198 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001257222193 1106554272 /nfs/dbraw/zinc/55/42/72/1106554272.db2.gz WKTDPPIMNSBEQM-OALUTQOASA-N 3 2 307.526 3.198 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001257222193 1106554274 /nfs/dbraw/zinc/55/42/74/1106554274.db2.gz WKTDPPIMNSBEQM-OALUTQOASA-N 3 2 307.526 3.198 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001257222193 1106554277 /nfs/dbraw/zinc/55/42/77/1106554277.db2.gz WKTDPPIMNSBEQM-OALUTQOASA-N 3 2 307.526 3.198 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001257336763 1106570251 /nfs/dbraw/zinc/57/02/51/1106570251.db2.gz GVOQGTUSDLWGDN-IAGOWNOFSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001257396136 1106581253 /nfs/dbraw/zinc/58/12/53/1106581253.db2.gz BRNHEOGPXVASCF-INIZCTEOSA-N 2 2 312.498 3.305 20 0 DGADLP CCCCC[C@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257510842 1106600366 /nfs/dbraw/zinc/60/03/66/1106600366.db2.gz RVKQJSQFVPRIRP-INIZCTEOSA-N 2 2 304.482 3.263 20 0 DGADLP CCCCC[C@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257510842 1106600367 /nfs/dbraw/zinc/60/03/67/1106600367.db2.gz RVKQJSQFVPRIRP-INIZCTEOSA-N 2 2 304.482 3.263 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2)CC1 ZINC001258003813 1106655931 /nfs/dbraw/zinc/65/59/31/1106655931.db2.gz UXXRFDUYLJBIOP-KRWDZBQOSA-N 2 2 310.869 3.083 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC001258001356 1106656020 /nfs/dbraw/zinc/65/60/20/1106656020.db2.gz MSJRVRANXMHFIV-UHFFFAOYSA-N 2 2 315.383 3.310 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001258014279 1106658338 /nfs/dbraw/zinc/65/83/38/1106658338.db2.gz IAODGIPDUNAILF-IBGZPJMESA-N 3 2 321.553 3.447 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001258014279 1106658339 /nfs/dbraw/zinc/65/83/39/1106658339.db2.gz IAODGIPDUNAILF-IBGZPJMESA-N 3 2 321.553 3.447 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258130400 1106678862 /nfs/dbraw/zinc/67/88/62/1106678862.db2.gz HLIPACOUZWMUFJ-MRXNPFEDSA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258130400 1106678863 /nfs/dbraw/zinc/67/88/63/1106678863.db2.gz HLIPACOUZWMUFJ-MRXNPFEDSA-N 2 2 324.509 3.447 20 0 DGADLP C[NH+](C)CCC(C)(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258135894 1106679758 /nfs/dbraw/zinc/67/97/58/1106679758.db2.gz UFPVIUFFELGGBR-UHFFFAOYSA-N 3 2 317.521 3.013 20 0 DGADLP Fc1ccnc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258136569 1106680277 /nfs/dbraw/zinc/68/02/77/1106680277.db2.gz QDYQIQPPAUVWSD-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CC(=O)CC(C)(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136830 1106680293 /nfs/dbraw/zinc/68/02/93/1106680293.db2.gz WDUYZSOYSUVKKD-UHFFFAOYSA-N 2 2 302.462 3.041 20 0 DGADLP CC(C)[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147797 1106680955 /nfs/dbraw/zinc/68/09/55/1106680955.db2.gz RNEWITICGWYWHE-HXUWFJFHSA-N 2 2 316.489 3.050 20 0 DGADLP CC(C)[C@H]1COCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147797 1106680957 /nfs/dbraw/zinc/68/09/57/1106680957.db2.gz RNEWITICGWYWHE-HXUWFJFHSA-N 2 2 316.489 3.050 20 0 DGADLP CSCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258216199 1106699013 /nfs/dbraw/zinc/69/90/13/1106699013.db2.gz FDJAUKANLCCQQU-CQSZACIVSA-N 2 2 324.538 3.025 20 0 DGADLP CSCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258216199 1106699015 /nfs/dbraw/zinc/69/90/15/1106699015.db2.gz FDJAUKANLCCQQU-CQSZACIVSA-N 2 2 324.538 3.025 20 0 DGADLP CSCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258217964 1106699976 /nfs/dbraw/zinc/69/99/76/1106699976.db2.gz UJXDVCAKEBUQEX-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258217964 1106699978 /nfs/dbraw/zinc/69/99/78/1106699978.db2.gz UJXDVCAKEBUQEX-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001258217964 1106699981 /nfs/dbraw/zinc/69/99/81/1106699981.db2.gz UJXDVCAKEBUQEX-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001258217964 1106699982 /nfs/dbraw/zinc/69/99/82/1106699982.db2.gz UJXDVCAKEBUQEX-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CC1CC1)[C@H]2C ZINC001258467086 1106764925 /nfs/dbraw/zinc/76/49/25/1106764925.db2.gz WJJYAFUJEDIKQP-GJZGRUSLSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CC1CC1)[C@H]2C ZINC001258467086 1106764935 /nfs/dbraw/zinc/76/49/35/1106764935.db2.gz WJJYAFUJEDIKQP-GJZGRUSLSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)CC1CC1)[C@H]2C ZINC001258467086 1106764945 /nfs/dbraw/zinc/76/49/45/1106764945.db2.gz WJJYAFUJEDIKQP-GJZGRUSLSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)CC1CC1)[C@H]2C ZINC001258467086 1106764958 /nfs/dbraw/zinc/76/49/58/1106764958.db2.gz WJJYAFUJEDIKQP-GJZGRUSLSA-N 2 2 304.482 3.289 20 0 DGADLP C[C@H](CC(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001320053967 1106825623 /nfs/dbraw/zinc/82/56/23/1106825623.db2.gz CQYRGULXHDEZHI-MRXNPFEDSA-N 2 2 322.497 3.051 20 0 DGADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001320053967 1106825636 /nfs/dbraw/zinc/82/56/36/1106825636.db2.gz CQYRGULXHDEZHI-MRXNPFEDSA-N 2 2 322.497 3.051 20 0 DGADLP COc1cc(N([C@H]2CCC(C)(C)C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001258607055 1106846736 /nfs/dbraw/zinc/84/67/36/1106846736.db2.gz CCSUUXUYKVSOSU-INIZCTEOSA-N 2 2 303.450 3.227 20 0 DGADLP C[C@H](Cc1cccnc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258632981 1106869848 /nfs/dbraw/zinc/86/98/48/1106869848.db2.gz DVXFKAQNZLDQQH-MRXNPFEDSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@H](Cc1cccnc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258632981 1106869870 /nfs/dbraw/zinc/86/98/70/1106869870.db2.gz DVXFKAQNZLDQQH-MRXNPFEDSA-N 2 2 306.413 3.330 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258659019 1106885796 /nfs/dbraw/zinc/88/57/96/1106885796.db2.gz MUUBVZZHUKVSNX-FQEVSTJZSA-N 2 2 318.505 3.440 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258659019 1106885808 /nfs/dbraw/zinc/88/58/08/1106885808.db2.gz MUUBVZZHUKVSNX-FQEVSTJZSA-N 2 2 318.505 3.440 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258660893 1106888833 /nfs/dbraw/zinc/88/88/33/1106888833.db2.gz LQSIYFVUNDCBKN-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258660893 1106888844 /nfs/dbraw/zinc/88/88/44/1106888844.db2.gz LQSIYFVUNDCBKN-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258794359 1106979095 /nfs/dbraw/zinc/97/90/95/1106979095.db2.gz KZMPKRRNYZEIOX-WMLDXEAASA-N 2 2 304.482 3.430 20 0 DGADLP CC[C@H](C)C[C@H](CC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258794360 1106979822 /nfs/dbraw/zinc/97/98/22/1106979822.db2.gz KZMPKRRNYZEIOX-YOEHRIQHSA-N 2 2 304.482 3.430 20 0 DGADLP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824165 1107007780 /nfs/dbraw/zinc/00/77/80/1107007780.db2.gz PRTBKHWFYGORKQ-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824165 1107007794 /nfs/dbraw/zinc/00/77/94/1107007794.db2.gz PRTBKHWFYGORKQ-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824165 1107007807 /nfs/dbraw/zinc/00/78/07/1107007807.db2.gz PRTBKHWFYGORKQ-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824165 1107007821 /nfs/dbraw/zinc/00/78/21/1107007821.db2.gz PRTBKHWFYGORKQ-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320463297 1107013789 /nfs/dbraw/zinc/01/37/89/1107013789.db2.gz GQFOFKQCWNNIOW-CQSZACIVSA-N 2 2 316.449 3.097 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001258900457 1107048788 /nfs/dbraw/zinc/04/87/88/1107048788.db2.gz MKDSMYGEYVHIFH-CQSZACIVSA-N 3 2 312.527 3.066 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccsc1C ZINC001320636117 1107080278 /nfs/dbraw/zinc/08/02/78/1107080278.db2.gz BHJDDIAUVNWBRK-UHFFFAOYSA-N 2 2 312.398 3.127 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H](C)F ZINC001317542728 1107506611 /nfs/dbraw/zinc/50/66/11/1107506611.db2.gz JEWMFBJVMKAFQY-AWEZNQCLSA-N 2 2 323.456 3.197 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H](C)F ZINC001317542728 1107506617 /nfs/dbraw/zinc/50/66/17/1107506617.db2.gz JEWMFBJVMKAFQY-AWEZNQCLSA-N 2 2 323.456 3.197 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOC2CCCCC2)C1 ZINC001262077169 1107604485 /nfs/dbraw/zinc/60/44/85/1107604485.db2.gz VGXVHRPFWMZEBP-MRXNPFEDSA-N 2 2 305.466 3.024 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOC2CCCCC2)C1 ZINC001262077169 1107604489 /nfs/dbraw/zinc/60/44/89/1107604489.db2.gz VGXVHRPFWMZEBP-MRXNPFEDSA-N 2 2 305.466 3.024 20 0 DGADLP CCO[C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+](C)C ZINC001262207348 1107651915 /nfs/dbraw/zinc/65/19/15/1107651915.db2.gz ZBSYQWLXYDOHGU-KSSFIOAISA-N 2 2 315.461 3.102 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC001262563114 1107723550 /nfs/dbraw/zinc/72/35/50/1107723550.db2.gz VQVBVRUKQJAEPR-CVEARBPZSA-N 2 2 321.852 3.274 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001262569512 1107724674 /nfs/dbraw/zinc/72/46/74/1107724674.db2.gz ADZGDGIIIOJBFP-APWZRJJASA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC001262569512 1107724685 /nfs/dbraw/zinc/72/46/85/1107724685.db2.gz ADZGDGIIIOJBFP-APWZRJJASA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC001262563117 1107725321 /nfs/dbraw/zinc/72/53/21/1107725321.db2.gz VQVBVRUKQJAEPR-JKSUJKDBSA-N 2 2 321.852 3.274 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000378966571 1108007488 /nfs/dbraw/zinc/00/74/88/1108007488.db2.gz VDPOUXBDEIVFQW-IAGOWNOFSA-N 2 2 304.478 3.480 20 0 DGADLP CCCCSCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318604523 1108120564 /nfs/dbraw/zinc/12/05/64/1108120564.db2.gz NSFZWOVKPRLKRG-UHFFFAOYSA-N 2 2 304.419 3.048 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC001319765524 1108627648 /nfs/dbraw/zinc/62/76/48/1108627648.db2.gz KRLSFTJAOYJJNB-KGLIPLIRSA-N 2 2 307.507 3.404 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC001319765524 1108627654 /nfs/dbraw/zinc/62/76/54/1108627654.db2.gz KRLSFTJAOYJJNB-KGLIPLIRSA-N 2 2 307.507 3.404 20 0 DGADLP CS[C@H](C)CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319781413 1108632664 /nfs/dbraw/zinc/63/26/64/1108632664.db2.gz GXQFNWOMISXIMG-LLVKDONJSA-N 2 2 304.419 3.046 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)C)C2)c(C)[nH+]1 ZINC001265488096 1108887458 /nfs/dbraw/zinc/88/74/58/1108887458.db2.gz RQQGGTVKKZJELN-QAQDUYKDSA-N 2 2 317.477 3.293 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCCC[C@@H]1C ZINC001307687205 1111327627 /nfs/dbraw/zinc/32/76/27/1111327627.db2.gz YJZLHNBBHNALFD-SXLOBPIMSA-N 2 2 318.505 3.380 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H]1CCCC[C@@H]1C ZINC001307687205 1111327632 /nfs/dbraw/zinc/32/76/32/1111327632.db2.gz YJZLHNBBHNALFD-SXLOBPIMSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CCCC[C@@H]1C ZINC001307687205 1111327639 /nfs/dbraw/zinc/32/76/39/1111327639.db2.gz YJZLHNBBHNALFD-SXLOBPIMSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCCC[C@@H]1C ZINC001307687205 1111327643 /nfs/dbraw/zinc/32/76/43/1111327643.db2.gz YJZLHNBBHNALFD-SXLOBPIMSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC001308195746 1111395367 /nfs/dbraw/zinc/39/53/67/1111395367.db2.gz WKNIGAPSBWBPOZ-LSDHHAIUSA-N 2 2 317.433 3.247 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2nsnc21 ZINC001308218163 1111400014 /nfs/dbraw/zinc/40/00/14/1111400014.db2.gz VQSPIGKZOWBCBK-AWEZNQCLSA-N 2 2 315.446 3.092 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)c[nH+]1 ZINC001308233396 1111402445 /nfs/dbraw/zinc/40/24/45/1111402445.db2.gz CYSKJNDIYWLBFB-UHFFFAOYSA-N 2 2 304.353 3.303 20 0 DGADLP CCCn1c[nH+]cc1CNc1cccc(OCCC[NH+](C)C)c1 ZINC001308321937 1111416205 /nfs/dbraw/zinc/41/62/05/1111416205.db2.gz KWORHLZPDNJEPY-UHFFFAOYSA-N 2 2 316.449 3.236 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CC1 ZINC001308706122 1111463530 /nfs/dbraw/zinc/46/35/30/1111463530.db2.gz RRPKXNYMNXEDOS-GOSISDBHSA-N 2 2 324.415 3.070 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CC1 ZINC001308706122 1111463532 /nfs/dbraw/zinc/46/35/32/1111463532.db2.gz RRPKXNYMNXEDOS-GOSISDBHSA-N 2 2 324.415 3.070 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001308858265 1111485248 /nfs/dbraw/zinc/48/52/48/1111485248.db2.gz DMSGPNCBIZMXTC-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001308858265 1111485250 /nfs/dbraw/zinc/48/52/50/1111485250.db2.gz DMSGPNCBIZMXTC-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001308948758 1111498579 /nfs/dbraw/zinc/49/85/79/1111498579.db2.gz RINPXEOXFNMNMO-FFGOWVMKSA-N 2 2 321.553 3.349 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001308948758 1111498583 /nfs/dbraw/zinc/49/85/83/1111498583.db2.gz RINPXEOXFNMNMO-FFGOWVMKSA-N 2 2 321.553 3.349 20 0 DGADLP Cn1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c(C2CCCCC2)n1 ZINC001308972163 1111502311 /nfs/dbraw/zinc/50/23/11/1111502311.db2.gz XWPQFTWUJPDPJF-UHFFFAOYSA-N 2 2 320.525 3.487 20 0 DGADLP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c(C2CCCCC2)n1 ZINC001308972163 1111502315 /nfs/dbraw/zinc/50/23/15/1111502315.db2.gz XWPQFTWUJPDPJF-UHFFFAOYSA-N 2 2 320.525 3.487 20 0 DGADLP Cc1cc[nH+]c(N)c1CNc1[nH+]c2ccccc2n1CC1CC1 ZINC001308990918 1111506960 /nfs/dbraw/zinc/50/69/60/1111506960.db2.gz CJQKBCLAWYJLMR-UHFFFAOYSA-N 2 2 307.401 3.344 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001621553013 1193857425 /nfs/dbraw/zinc/85/74/25/1193857425.db2.gz ZRINEJWTLMIZDJ-HOTGVXAUSA-N 2 2 312.498 3.208 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001621553013 1193857428 /nfs/dbraw/zinc/85/74/28/1193857428.db2.gz ZRINEJWTLMIZDJ-HOTGVXAUSA-N 2 2 312.498 3.208 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129039308 432002264 /nfs/dbraw/zinc/00/22/64/432002264.db2.gz XERGSUGABVCLII-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129039308 432002267 /nfs/dbraw/zinc/00/22/67/432002267.db2.gz XERGSUGABVCLII-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000278365519 214119321 /nfs/dbraw/zinc/11/93/21/214119321.db2.gz DCWAJHCGJWUIOC-FQEVSTJZSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000278365519 214119326 /nfs/dbraw/zinc/11/93/26/214119326.db2.gz DCWAJHCGJWUIOC-FQEVSTJZSA-N 2 2 313.489 3.262 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000061377094 432002345 /nfs/dbraw/zinc/00/23/45/432002345.db2.gz VUFWLSUFCLKQAU-AWEZNQCLSA-N 2 2 314.882 3.045 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000061377094 432002343 /nfs/dbraw/zinc/00/23/43/432002343.db2.gz VUFWLSUFCLKQAU-AWEZNQCLSA-N 2 2 314.882 3.045 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000278514399 214204862 /nfs/dbraw/zinc/20/48/62/214204862.db2.gz MJJUNWOKPYBDHN-IEBWSBKVSA-N 2 2 319.493 3.259 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000278514399 214204863 /nfs/dbraw/zinc/20/48/63/214204863.db2.gz MJJUNWOKPYBDHN-IEBWSBKVSA-N 2 2 319.493 3.259 20 0 DGADLP COc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309907377 231107572 /nfs/dbraw/zinc/10/75/72/231107572.db2.gz QYRFTPKRSJAKSL-APWZRJJASA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309907377 231107574 /nfs/dbraw/zinc/10/75/74/231107574.db2.gz QYRFTPKRSJAKSL-APWZRJJASA-N 2 2 310.441 3.448 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C12CCC[NH+]1CCC2 ZINC000278741998 214369103 /nfs/dbraw/zinc/36/91/03/214369103.db2.gz DTXXPDROHDJRKM-UHFFFAOYSA-N 2 2 324.428 3.397 20 0 DGADLP Cc1cc([NH+]2CCCC2)ccc1NCc1c[nH+]c(N(C)C)n1C ZINC000320600876 231196125 /nfs/dbraw/zinc/19/61/25/231196125.db2.gz SJFBZTHEVANROT-UHFFFAOYSA-N 2 2 313.449 3.007 20 0 DGADLP Cc1cnc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000328604064 231239046 /nfs/dbraw/zinc/23/90/46/231239046.db2.gz IIBUCAAERJVHHL-OAHLLOKOSA-N 2 2 317.458 3.189 20 0 DGADLP Cc1cnc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000328604064 231239049 /nfs/dbraw/zinc/23/90/49/231239049.db2.gz IIBUCAAERJVHHL-OAHLLOKOSA-N 2 2 317.458 3.189 20 0 DGADLP CCc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc(C)[nH+]1 ZINC000302063621 529558347 /nfs/dbraw/zinc/55/83/47/529558347.db2.gz UZNOOCDYLDQOGX-UHFFFAOYSA-N 2 2 307.401 3.204 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)O ZINC000293047427 529584543 /nfs/dbraw/zinc/58/45/43/529584543.db2.gz RGPRTCDFWDQSMW-KRWDZBQOSA-N 2 2 324.896 3.444 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000295809519 529588533 /nfs/dbraw/zinc/58/85/33/529588533.db2.gz CQWUEVGDZCFBJS-MRXNPFEDSA-N 2 2 300.450 3.076 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000295809519 529588535 /nfs/dbraw/zinc/58/85/35/529588535.db2.gz CQWUEVGDZCFBJS-MRXNPFEDSA-N 2 2 300.450 3.076 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000415071527 529610878 /nfs/dbraw/zinc/61/08/78/529610878.db2.gz WLJBFQCKMLZNID-INIZCTEOSA-N 2 2 308.347 3.456 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000090048545 185279700 /nfs/dbraw/zinc/27/97/00/185279700.db2.gz CPXXBRVLIITRDK-CYBMUJFWSA-N 2 2 311.495 3.028 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000090249687 185288092 /nfs/dbraw/zinc/28/80/92/185288092.db2.gz GHYOAFBIIKETLN-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724315 185311343 /nfs/dbraw/zinc/31/13/43/185311343.db2.gz JLMQZLXWZDGKEY-APWZRJJASA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724315 185311344 /nfs/dbraw/zinc/31/13/44/185311344.db2.gz JLMQZLXWZDGKEY-APWZRJJASA-N 2 2 313.489 3.462 20 0 DGADLP CCCC[C@@H](COC)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667559 185308831 /nfs/dbraw/zinc/30/88/31/185308831.db2.gz UQZDRODXQZPXKQ-APWZRJJASA-N 2 2 319.493 3.402 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@H+](C)C(C)C)cc2[nH+]1 ZINC000063812658 432006419 /nfs/dbraw/zinc/00/64/19/432006419.db2.gz KRHJJWWOVVHBSV-UHFFFAOYSA-N 2 2 302.422 3.184 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2[nH+]1 ZINC000063812658 432006420 /nfs/dbraw/zinc/00/64/20/432006420.db2.gz KRHJJWWOVVHBSV-UHFFFAOYSA-N 2 2 302.422 3.184 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648475 185331519 /nfs/dbraw/zinc/33/15/19/185331519.db2.gz AQKOKLZGFSORIY-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP CCc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)nc(C)[nH+]1 ZINC000272811191 210213813 /nfs/dbraw/zinc/21/38/13/210213813.db2.gz CLRDCHTZCRNILX-UHFFFAOYSA-N 2 2 311.433 3.345 20 0 DGADLP CC1(C)[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@H]2CCCO[C@@H]21 ZINC000181568756 199318902 /nfs/dbraw/zinc/31/89/02/199318902.db2.gz GQERNUMODHIOHB-NJAFHUGGSA-N 2 2 311.429 3.166 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989812 529802352 /nfs/dbraw/zinc/80/23/52/529802352.db2.gz GIJLUYVELQDOJP-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989812 529802353 /nfs/dbraw/zinc/80/23/53/529802353.db2.gz GIJLUYVELQDOJP-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989812 529802354 /nfs/dbraw/zinc/80/23/54/529802354.db2.gz GIJLUYVELQDOJP-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989812 529802355 /nfs/dbraw/zinc/80/23/55/529802355.db2.gz GIJLUYVELQDOJP-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+](C)CC1(CN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCC1 ZINC000129698804 432008162 /nfs/dbraw/zinc/00/81/62/432008162.db2.gz YEYRLFXPAFGWSQ-QGZVFWFLSA-N 2 2 312.461 3.211 20 0 DGADLP Clc1cc2c(c(C[NH2+]C3CC[NH+](C4CCC4)CC3)c1)OCC2 ZINC000272780078 210182817 /nfs/dbraw/zinc/18/28/17/210182817.db2.gz AFYQHEOZUCICMB-UHFFFAOYSA-N 2 2 320.864 3.381 20 0 DGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC000286709924 219123011 /nfs/dbraw/zinc/12/30/11/219123011.db2.gz AMOCOXZRLWBPCN-UHFFFAOYSA-N 2 2 321.896 3.072 20 0 DGADLP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC000286709924 219123013 /nfs/dbraw/zinc/12/30/13/219123013.db2.gz AMOCOXZRLWBPCN-UHFFFAOYSA-N 2 2 321.896 3.072 20 0 DGADLP C[NH2+]CCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000435874911 529964573 /nfs/dbraw/zinc/96/45/73/529964573.db2.gz OVXPATOMGDWZBX-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[NH2+]CCC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000435874911 529964574 /nfs/dbraw/zinc/96/45/74/529964574.db2.gz OVXPATOMGDWZBX-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607919 530001563 /nfs/dbraw/zinc/00/15/63/530001563.db2.gz ZTHDBCAQDGBMPJ-JKSUJKDBSA-N 2 2 317.477 3.068 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607919 530001564 /nfs/dbraw/zinc/00/15/64/530001564.db2.gz ZTHDBCAQDGBMPJ-JKSUJKDBSA-N 2 2 317.477 3.068 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724358 530064809 /nfs/dbraw/zinc/06/48/09/530064809.db2.gz YNVORBVOQIUNAR-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724358 530064810 /nfs/dbraw/zinc/06/48/10/530064810.db2.gz YNVORBVOQIUNAR-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724358 530064811 /nfs/dbraw/zinc/06/48/11/530064811.db2.gz YNVORBVOQIUNAR-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)CC[C@@H]21 ZINC000432724358 530064812 /nfs/dbraw/zinc/06/48/12/530064812.db2.gz YNVORBVOQIUNAR-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864172 530051543 /nfs/dbraw/zinc/05/15/43/530051543.db2.gz ZAFOHJWEXXSVDR-KUHUBIRLSA-N 2 2 311.473 3.345 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864172 530051544 /nfs/dbraw/zinc/05/15/44/530051544.db2.gz ZAFOHJWEXXSVDR-KUHUBIRLSA-N 2 2 311.473 3.345 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]Cc3cccnc3)CC2)cc1 ZINC000066403505 432016666 /nfs/dbraw/zinc/01/66/66/432016666.db2.gz RAVDCQKIUZVQEP-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272654300 210060527 /nfs/dbraw/zinc/06/05/27/210060527.db2.gz QJJZXMISQLFALD-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272654300 210060528 /nfs/dbraw/zinc/06/05/28/210060528.db2.gz QJJZXMISQLFALD-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272654300 210060533 /nfs/dbraw/zinc/06/05/33/210060533.db2.gz QJJZXMISQLFALD-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272654300 210060537 /nfs/dbraw/zinc/06/05/37/210060537.db2.gz QJJZXMISQLFALD-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279700640 215073417 /nfs/dbraw/zinc/07/34/17/215073417.db2.gz RTOCJIOBDRJOAB-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000286898043 219215127 /nfs/dbraw/zinc/21/51/27/219215127.db2.gz DITKDRFFLUDHDW-XYJFISCASA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000286898043 219215130 /nfs/dbraw/zinc/21/51/30/219215130.db2.gz DITKDRFFLUDHDW-XYJFISCASA-N 2 2 310.445 3.150 20 0 DGADLP COc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272637729 210041160 /nfs/dbraw/zinc/04/11/60/210041160.db2.gz CVGMGIOIHFUEQH-UHFFFAOYSA-N 2 2 316.367 3.202 20 0 DGADLP COCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000272629371 210030782 /nfs/dbraw/zinc/03/07/82/210030782.db2.gz XRSDVZJMCBBVGU-KRWDZBQOSA-N 2 2 311.385 3.333 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000181989196 199372041 /nfs/dbraw/zinc/37/20/41/199372041.db2.gz LLLJJAWRQBLRCI-HOTGVXAUSA-N 2 2 306.450 3.244 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000155868148 186118973 /nfs/dbraw/zinc/11/89/73/186118973.db2.gz XUFJZKYMKLMMRN-RLFYNMQTSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000155868148 186118975 /nfs/dbraw/zinc/11/89/75/186118975.db2.gz XUFJZKYMKLMMRN-RLFYNMQTSA-N 3 2 314.477 3.053 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000164206231 186151955 /nfs/dbraw/zinc/15/19/55/186151955.db2.gz IBTHZCWFNBFQQM-MJBXVCDLSA-N 2 2 312.417 3.277 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000164206231 186151956 /nfs/dbraw/zinc/15/19/56/186151956.db2.gz IBTHZCWFNBFQQM-MJBXVCDLSA-N 2 2 312.417 3.277 20 0 DGADLP CC1(C)CC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC(C)(C)[NH2+]1 ZINC000194224162 186270267 /nfs/dbraw/zinc/27/02/67/186270267.db2.gz ZJOZLLHWWCFYEX-UHFFFAOYSA-N 2 2 312.461 3.476 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000237507522 186298748 /nfs/dbraw/zinc/29/87/48/186298748.db2.gz YJXZRGTYGIMQPM-KRWDZBQOSA-N 2 2 312.461 3.226 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000237507522 186298749 /nfs/dbraw/zinc/29/87/49/186298749.db2.gz YJXZRGTYGIMQPM-KRWDZBQOSA-N 2 2 312.461 3.226 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575208 198118069 /nfs/dbraw/zinc/11/80/69/198118069.db2.gz BLRJOIAENLWSJL-AEFFLSMTSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575208 198118071 /nfs/dbraw/zinc/11/80/71/198118071.db2.gz BLRJOIAENLWSJL-AEFFLSMTSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575208 198118073 /nfs/dbraw/zinc/11/80/73/198118073.db2.gz BLRJOIAENLWSJL-AEFFLSMTSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575208 198118075 /nfs/dbraw/zinc/11/80/75/198118075.db2.gz BLRJOIAENLWSJL-AEFFLSMTSA-N 2 2 313.445 3.468 20 0 DGADLP CC[N@H+](CCCCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389881 198328601 /nfs/dbraw/zinc/32/86/01/198328601.db2.gz LKACHUPYTGOSFP-UHFFFAOYSA-N 2 2 319.493 3.437 20 0 DGADLP CC[N@@H+](CCCCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174389881 198328603 /nfs/dbraw/zinc/32/86/03/198328603.db2.gz LKACHUPYTGOSFP-UHFFFAOYSA-N 2 2 319.493 3.437 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000163598373 432037136 /nfs/dbraw/zinc/03/71/36/432037136.db2.gz JPGQOLBCESLCJV-SFHVURJKSA-N 2 2 322.880 3.319 20 0 DGADLP COc1ccc([C@H](CNc2cccc(C)[nH+]2)[NH+](C)C)cc1OC ZINC000277042968 213258424 /nfs/dbraw/zinc/25/84/24/213258424.db2.gz GBTUGOPZBCTBEL-HNNXBMFYSA-N 2 2 315.417 3.122 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000163803941 432043294 /nfs/dbraw/zinc/04/32/94/432043294.db2.gz MYJQBKNJXCDQSJ-ZDUSSCGKSA-N 2 2 303.381 3.382 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccsc2S1 ZINC000427872814 291084792 /nfs/dbraw/zinc/08/47/92/291084792.db2.gz JXXHQGMITDBJEX-GMXVVIOVSA-N 2 2 305.472 3.475 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000164947980 432052956 /nfs/dbraw/zinc/05/29/56/432052956.db2.gz DEJOXYCBAZYJQV-HPFXQQBRSA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000164947980 432052957 /nfs/dbraw/zinc/05/29/57/432052957.db2.gz DEJOXYCBAZYJQV-HPFXQQBRSA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000164947980 432052958 /nfs/dbraw/zinc/05/29/58/432052958.db2.gz DEJOXYCBAZYJQV-HPFXQQBRSA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000164947980 432052959 /nfs/dbraw/zinc/05/29/59/432052959.db2.gz DEJOXYCBAZYJQV-HPFXQQBRSA-N 3 2 321.534 3.203 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000165384514 432055464 /nfs/dbraw/zinc/05/54/64/432055464.db2.gz GLDKLPKLRHGEJY-VQIMIIECSA-N 2 2 320.452 3.195 20 0 DGADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765614 291097020 /nfs/dbraw/zinc/09/70/20/291097020.db2.gz STZAHOKMJZBUEW-XUJVJEKNSA-N 2 2 324.266 3.011 20 0 DGADLP C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765614 291097022 /nfs/dbraw/zinc/09/70/22/291097022.db2.gz STZAHOKMJZBUEW-XUJVJEKNSA-N 2 2 324.266 3.011 20 0 DGADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000165503438 432056678 /nfs/dbraw/zinc/05/66/78/432056678.db2.gz GZFFOQODNDKQCE-CQSZACIVSA-N 2 2 322.412 3.104 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165980255 432057795 /nfs/dbraw/zinc/05/77/95/432057795.db2.gz HCGPRNFKJDNXJB-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165980255 432057799 /nfs/dbraw/zinc/05/77/99/432057799.db2.gz HCGPRNFKJDNXJB-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000166247772 432059801 /nfs/dbraw/zinc/05/98/01/432059801.db2.gz IVLULAINQXZIGN-PMUMKWKESA-N 2 2 316.445 3.124 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000166247772 432059802 /nfs/dbraw/zinc/05/98/02/432059802.db2.gz IVLULAINQXZIGN-PMUMKWKESA-N 2 2 316.445 3.124 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000237125795 202160145 /nfs/dbraw/zinc/16/01/45/202160145.db2.gz UWAYMTHYXUEBBW-UHFFFAOYSA-N 2 2 314.429 3.147 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000133364804 432062117 /nfs/dbraw/zinc/06/21/17/432062117.db2.gz WSUBQJMOETYDIW-GMXVVIOVSA-N 2 2 317.260 3.411 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC[N@@H+](C4CCCC4)CC3)n2c1 ZINC000179772736 199078790 /nfs/dbraw/zinc/07/87/90/199078790.db2.gz OGLKEELUMZCLPW-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC[N@H+](C4CCCC4)CC3)n2c1 ZINC000179772736 199078792 /nfs/dbraw/zinc/07/87/92/199078792.db2.gz OGLKEELUMZCLPW-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP c1cn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000180104307 199117625 /nfs/dbraw/zinc/11/76/25/199117625.db2.gz DHXUBDKQNVHJRT-IHWFROFDSA-N 3 2 324.472 3.058 20 0 DGADLP c1cn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000180104307 199117627 /nfs/dbraw/zinc/11/76/27/199117627.db2.gz DHXUBDKQNVHJRT-IHWFROFDSA-N 3 2 324.472 3.058 20 0 DGADLP Cc1cccnc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180586323 199180731 /nfs/dbraw/zinc/18/07/31/199180731.db2.gz OHSURHZUVQHGAR-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cccnc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180586323 199180732 /nfs/dbraw/zinc/18/07/32/199180732.db2.gz OHSURHZUVQHGAR-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415059830 237043645 /nfs/dbraw/zinc/04/36/45/237043645.db2.gz XOYPSNXOWILYIZ-WMZOPIPTSA-N 2 2 311.429 3.306 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415059830 237043657 /nfs/dbraw/zinc/04/36/57/237043657.db2.gz XOYPSNXOWILYIZ-WMZOPIPTSA-N 2 2 311.429 3.306 20 0 DGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000415108217 237085335 /nfs/dbraw/zinc/08/53/35/237085335.db2.gz PSEDFCAFRUGPBI-JMSVASOKSA-N 2 2 318.396 3.057 20 0 DGADLP FC(F)(F)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000415080711 237064753 /nfs/dbraw/zinc/06/47/53/237064753.db2.gz JWDJQIHPBVZPLG-OUAUKWLOSA-N 2 2 319.396 3.172 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)sc1C ZINC000415083191 237064808 /nfs/dbraw/zinc/06/48/08/237064808.db2.gz PJILYCGKFSCLBQ-JKSUJKDBSA-N 2 2 301.459 3.343 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CCCO1 ZINC000415112838 237088146 /nfs/dbraw/zinc/08/81/46/237088146.db2.gz QZLMHOOLDQQNTQ-CQSZACIVSA-N 2 2 320.433 3.104 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CCCO1 ZINC000415112838 237088149 /nfs/dbraw/zinc/08/81/49/237088149.db2.gz QZLMHOOLDQQNTQ-CQSZACIVSA-N 2 2 320.433 3.104 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000281035135 216036668 /nfs/dbraw/zinc/03/66/68/216036668.db2.gz PODQURDNNJWKSQ-SFHVURJKSA-N 2 2 307.397 3.250 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2nccnc2C)CC1 ZINC000187787719 200156615 /nfs/dbraw/zinc/15/66/15/200156615.db2.gz RYGLHZGRCSBTBD-QGZVFWFLSA-N 2 2 324.472 3.409 20 0 DGADLP CC(C)[NH+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C(C)C ZINC000187695423 200145934 /nfs/dbraw/zinc/14/59/34/200145934.db2.gz SGTQOUCZSZYBHV-QGZVFWFLSA-N 2 2 318.440 3.347 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000188101166 200193955 /nfs/dbraw/zinc/19/39/55/200193955.db2.gz PGNPZXBVYNTWLT-HOTGVXAUSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188101166 200193957 /nfs/dbraw/zinc/19/39/57/200193957.db2.gz PGNPZXBVYNTWLT-HOTGVXAUSA-N 2 2 312.461 3.346 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000134785136 432086178 /nfs/dbraw/zinc/08/61/78/432086178.db2.gz AKXPUGLUVRJGAJ-FCLVOEFKSA-N 2 2 323.440 3.481 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000180428675 432086591 /nfs/dbraw/zinc/08/65/91/432086591.db2.gz KKBGCWKZGSITMB-KRWDZBQOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000180428675 432086592 /nfs/dbraw/zinc/08/65/92/432086592.db2.gz KKBGCWKZGSITMB-KRWDZBQOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)CC3 ZINC000180469488 432087318 /nfs/dbraw/zinc/08/73/18/432087318.db2.gz HDHHHSKIBSSVGJ-GJZGRUSLSA-N 2 2 311.473 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)CC3 ZINC000180469488 432087319 /nfs/dbraw/zinc/08/73/19/432087319.db2.gz HDHHHSKIBSSVGJ-GJZGRUSLSA-N 2 2 311.473 3.406 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423070780 237822171 /nfs/dbraw/zinc/82/21/71/237822171.db2.gz NRPDLMMHNQLTHV-DYVFJYSZSA-N 2 2 318.848 3.397 20 0 DGADLP FC(F)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856934 238004159 /nfs/dbraw/zinc/00/41/59/238004159.db2.gz PAVZKMUDNSZSFA-CABCVRRESA-N 2 2 305.372 3.054 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000427889942 238004952 /nfs/dbraw/zinc/00/49/52/238004952.db2.gz IAPHFJLXQBWQIW-SJLPKXTDSA-N 2 2 323.440 3.190 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2noc(-c3ccccc3C)n2)c[nH+]1 ZINC000428281603 238014262 /nfs/dbraw/zinc/01/42/62/238014262.db2.gz LYKQQVVGBDDKMZ-UHFFFAOYSA-N 2 2 322.412 3.471 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000429261207 238045181 /nfs/dbraw/zinc/04/51/81/238045181.db2.gz ZQTGUFWKHOAAHN-QGZVFWFLSA-N 2 2 319.468 3.212 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000429261207 238045182 /nfs/dbraw/zinc/04/51/82/238045182.db2.gz ZQTGUFWKHOAAHN-QGZVFWFLSA-N 2 2 319.468 3.212 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429368354 238049783 /nfs/dbraw/zinc/04/97/83/238049783.db2.gz PPMDDSCJUBCONI-QGZVFWFLSA-N 2 2 324.472 3.179 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+](C2CCC2)C1 ZINC000429368354 238049784 /nfs/dbraw/zinc/04/97/84/238049784.db2.gz PPMDDSCJUBCONI-QGZVFWFLSA-N 2 2 324.472 3.179 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928519 238034830 /nfs/dbraw/zinc/03/48/30/238034830.db2.gz HTBYQCGMFXDURN-CYBMUJFWSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928519 238034831 /nfs/dbraw/zinc/03/48/31/238034831.db2.gz HTBYQCGMFXDURN-CYBMUJFWSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430562743 238079808 /nfs/dbraw/zinc/07/98/08/238079808.db2.gz GCAMHVCLEXXTOE-WCQYABFASA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430562743 238079809 /nfs/dbraw/zinc/07/98/09/238079809.db2.gz GCAMHVCLEXXTOE-WCQYABFASA-N 2 2 305.447 3.271 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560021 238079876 /nfs/dbraw/zinc/07/98/76/238079876.db2.gz YKHYSMDLJBGBOR-OCCSQVGLSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560021 238079877 /nfs/dbraw/zinc/07/98/77/238079877.db2.gz YKHYSMDLJBGBOR-OCCSQVGLSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430624297 238081793 /nfs/dbraw/zinc/08/17/93/238081793.db2.gz OWCFYQAZCAKWDV-NEPJUHHUSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430624297 238081794 /nfs/dbraw/zinc/08/17/94/238081794.db2.gz OWCFYQAZCAKWDV-NEPJUHHUSA-N 2 2 320.824 3.122 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000430744033 238085378 /nfs/dbraw/zinc/08/53/78/238085378.db2.gz QPTFFMNZBHXQOP-DLBZAZTESA-N 2 2 312.417 3.109 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000430883352 238088872 /nfs/dbraw/zinc/08/88/72/238088872.db2.gz CQUJUHLQAUSVAD-HZPDHXFCSA-N 2 2 312.417 3.313 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000430876576 238089034 /nfs/dbraw/zinc/08/90/34/238089034.db2.gz RJNWRVJYDNKVDL-CVEARBPZSA-N 2 2 312.417 3.313 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(C3CCC3)s2)CCCO1 ZINC000432349165 238125886 /nfs/dbraw/zinc/12/58/86/238125886.db2.gz WHPOMFSIAMNYGD-CQSZACIVSA-N 2 2 323.506 3.001 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(C3CCC3)s2)CCCO1 ZINC000432349165 238125887 /nfs/dbraw/zinc/12/58/87/238125887.db2.gz WHPOMFSIAMNYGD-CQSZACIVSA-N 2 2 323.506 3.001 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnn1C(C)C ZINC000281280229 216206815 /nfs/dbraw/zinc/20/68/15/216206815.db2.gz IOYLKVZYCQAUIL-UHFFFAOYSA-N 2 2 303.454 3.135 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnn1C(C)C ZINC000281280229 216206818 /nfs/dbraw/zinc/20/68/18/216206818.db2.gz IOYLKVZYCQAUIL-UHFFFAOYSA-N 2 2 303.454 3.135 20 0 DGADLP c1cc(-c2ccc(C[NH2+]CCCc3[nH]c4ccccc4[nH+]3)o2)n[nH]1 ZINC000433332890 238156178 /nfs/dbraw/zinc/15/61/78/238156178.db2.gz ZPQUECOGFUPETR-UHFFFAOYSA-N 2 2 321.384 3.268 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000271922686 209325951 /nfs/dbraw/zinc/32/59/51/209325951.db2.gz KNFGLXSXOZBTRF-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000271922686 209325949 /nfs/dbraw/zinc/32/59/49/209325949.db2.gz KNFGLXSXOZBTRF-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000434766215 238243247 /nfs/dbraw/zinc/24/32/47/238243247.db2.gz NFAHLJNAUMMODQ-QFBILLFUSA-N 2 2 316.489 3.433 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435391194 238299625 /nfs/dbraw/zinc/29/96/25/238299625.db2.gz RTXMLNPJQSDRNO-INIZCTEOSA-N 2 2 313.445 3.056 20 0 DGADLP Cc1cc(C[N@H+](C)[C@@H](C)C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435391194 238299626 /nfs/dbraw/zinc/29/96/26/238299626.db2.gz RTXMLNPJQSDRNO-INIZCTEOSA-N 2 2 313.445 3.056 20 0 DGADLP c1cn2c(cccc2CNC[C@H]2CCC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000435730137 238343381 /nfs/dbraw/zinc/34/33/81/238343381.db2.gz XEXSZWYKSLATPF-QGZVFWFLSA-N 2 2 312.461 3.221 20 0 DGADLP c1cn2c(cccc2CNC[C@H]2CCC[N@H+]2C2CCCCC2)[nH+]1 ZINC000435730137 238343386 /nfs/dbraw/zinc/34/33/86/238343386.db2.gz XEXSZWYKSLATPF-QGZVFWFLSA-N 2 2 312.461 3.221 20 0 DGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271891537 209301870 /nfs/dbraw/zinc/30/18/70/209301870.db2.gz XECUFLUZZPHNPI-CGTJXYLNSA-N 2 2 313.445 3.360 20 0 DGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271891537 209301873 /nfs/dbraw/zinc/30/18/73/209301873.db2.gz XECUFLUZZPHNPI-CGTJXYLNSA-N 2 2 313.445 3.360 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000194866416 201303734 /nfs/dbraw/zinc/30/37/34/201303734.db2.gz BNEFUSXWKVXDEQ-CQSZACIVSA-N 2 2 308.491 3.170 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000194866398 201304398 /nfs/dbraw/zinc/30/43/98/201304398.db2.gz BNEFUSXWKVXDEQ-AWEZNQCLSA-N 2 2 308.491 3.170 20 0 DGADLP C[C@H]([NH3+])C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000442666340 239105232 /nfs/dbraw/zinc/10/52/32/239105232.db2.gz UGGHPXMYPAJLQT-NSHDSACASA-N 2 2 317.260 3.322 20 0 DGADLP Cc1ccc(CCC[NH2+][C@]2(CO)CCCc3ccccc32)c[nH+]1 ZINC000443069667 239170759 /nfs/dbraw/zinc/17/07/59/239170759.db2.gz NHECDTVNCSRDSR-FQEVSTJZSA-N 2 2 310.441 3.136 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000195057969 201333595 /nfs/dbraw/zinc/33/35/95/201333595.db2.gz GYVXJWPJNVUBBD-BEFAXECRSA-N 2 2 317.477 3.054 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2cnc(C(F)(F)F)s2)CCCC1 ZINC000444004447 239249558 /nfs/dbraw/zinc/24/95/58/239249558.db2.gz LPLADDGEBODNGV-UHFFFAOYSA-N 2 2 321.412 3.374 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000342792013 283785476 /nfs/dbraw/zinc/78/54/76/283785476.db2.gz GDCPTDGFPIBVNH-NVXWUHKLSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@@H](Cc1ccoc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000449070380 240001678 /nfs/dbraw/zinc/00/16/78/240001678.db2.gz CJUWZIOMRKLFPQ-INIZCTEOSA-N 2 2 309.413 3.288 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000449072303 240001764 /nfs/dbraw/zinc/00/17/64/240001764.db2.gz DYUAYPRNMKKSFY-HZMBPMFUSA-N 2 2 310.363 3.165 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000449072303 240001769 /nfs/dbraw/zinc/00/17/69/240001769.db2.gz DYUAYPRNMKKSFY-HZMBPMFUSA-N 2 2 310.363 3.165 20 0 DGADLP COCC1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000449075917 240003692 /nfs/dbraw/zinc/00/36/92/240003692.db2.gz OAHWYZYUZUGBJW-UHFFFAOYSA-N 2 2 313.445 3.226 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCCC23CCC3)cc(C[NH+]2CCOCC2)c1 ZINC000449090749 240012760 /nfs/dbraw/zinc/01/27/60/240012760.db2.gz NUYTUAGQTDEBMC-LJQANCHMSA-N 2 2 314.473 3.331 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449190475 240058192 /nfs/dbraw/zinc/05/81/92/240058192.db2.gz IWOSKUSDDNBOSI-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449190475 240058194 /nfs/dbraw/zinc/05/81/94/240058194.db2.gz IWOSKUSDDNBOSI-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CCC1 ZINC000449203600 240065856 /nfs/dbraw/zinc/06/58/56/240065856.db2.gz HKZLAHGVTQKESU-IRXDYDNUSA-N 2 2 302.466 3.213 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449222176 240076630 /nfs/dbraw/zinc/07/66/30/240076630.db2.gz VOMKPQCTAGFXHH-CYBMUJFWSA-N 2 2 300.368 3.413 20 0 DGADLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc2ccccc21 ZINC000449258904 240096539 /nfs/dbraw/zinc/09/65/39/240096539.db2.gz OWNBOZSEVRJAIJ-INIZCTEOSA-N 2 2 307.397 3.150 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000292986735 223338103 /nfs/dbraw/zinc/33/81/03/223338103.db2.gz HVGHHNKRRDXAGF-UHFFFAOYSA-N 2 2 316.445 3.431 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000449247444 240090180 /nfs/dbraw/zinc/09/01/80/240090180.db2.gz GGEDRICQKDIUCV-SGZDXZSOSA-N 2 2 316.489 3.302 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000449247444 240090184 /nfs/dbraw/zinc/09/01/84/240090184.db2.gz GGEDRICQKDIUCV-SGZDXZSOSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352144 240150888 /nfs/dbraw/zinc/15/08/88/240150888.db2.gz ULCPOLRSYYJMET-ZDUSSCGKSA-N 2 2 307.825 3.429 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000449391914 240170035 /nfs/dbraw/zinc/17/00/35/240170035.db2.gz ZQBRBDXJJJCMMN-SOAGJPPSSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000449391914 240170037 /nfs/dbraw/zinc/17/00/37/240170037.db2.gz ZQBRBDXJJJCMMN-SOAGJPPSSA-N 2 2 316.489 3.149 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@@H](C)c1ccc(Cl)cc1 ZINC000449390239 240171713 /nfs/dbraw/zinc/17/17/13/240171713.db2.gz VLTQFHWJJKAAMM-RVKKMQEKSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@@H](C)c1ccc(Cl)cc1 ZINC000449390239 240171719 /nfs/dbraw/zinc/17/17/19/240171719.db2.gz VLTQFHWJJKAAMM-RVKKMQEKSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449393439 240171771 /nfs/dbraw/zinc/17/17/71/240171771.db2.gz CBLABMBHOLOFBZ-MJGOQNOKSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449393439 240171778 /nfs/dbraw/zinc/17/17/78/240171778.db2.gz CBLABMBHOLOFBZ-MJGOQNOKSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449399289 240174300 /nfs/dbraw/zinc/17/43/00/240174300.db2.gz ZLEPCZGFFJGSBT-MPGHIAIKSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449399289 240174304 /nfs/dbraw/zinc/17/43/04/240174304.db2.gz ZLEPCZGFFJGSBT-MPGHIAIKSA-N 2 2 324.896 3.268 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000449397165 240174614 /nfs/dbraw/zinc/17/46/14/240174614.db2.gz OPKRONSTUSJHQH-PCKAHOCUSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000449397165 240174621 /nfs/dbraw/zinc/17/46/21/240174621.db2.gz OPKRONSTUSJHQH-PCKAHOCUSA-N 2 2 322.880 3.022 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449401868 240177582 /nfs/dbraw/zinc/17/75/82/240177582.db2.gz IXTASUKNEVOQEO-JXFKEZNVSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)ccn1 ZINC000449401868 240177585 /nfs/dbraw/zinc/17/75/85/240177585.db2.gz IXTASUKNEVOQEO-JXFKEZNVSA-N 2 2 309.457 3.390 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000449400994 240177997 /nfs/dbraw/zinc/17/79/97/240177997.db2.gz KTOLZXIFPLWCOX-VXGBXAGGSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000449400994 240178006 /nfs/dbraw/zinc/17/80/06/240178006.db2.gz KTOLZXIFPLWCOX-VXGBXAGGSA-N 2 2 312.816 3.073 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000449402961 240179121 /nfs/dbraw/zinc/17/91/21/240179121.db2.gz TYYOWOWBDHOUEI-UHFFFAOYSA-N 2 2 315.383 3.453 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H](C)[NH2+]CCC)cc2[nH+]1 ZINC000449323862 240131322 /nfs/dbraw/zinc/13/13/22/240131322.db2.gz BFQDVAXFGUTGBT-LBPRGKRZSA-N 2 2 302.422 3.232 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000449452855 240214685 /nfs/dbraw/zinc/21/46/85/240214685.db2.gz LYTKBBMCAIOYBO-QRVBRYPASA-N 2 2 302.462 3.338 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000449452855 240214688 /nfs/dbraw/zinc/21/46/88/240214688.db2.gz LYTKBBMCAIOYBO-QRVBRYPASA-N 2 2 302.462 3.338 20 0 DGADLP COc1ncc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000449461617 240220882 /nfs/dbraw/zinc/22/08/82/240220882.db2.gz QPSFOQCQSSIPPT-UHFFFAOYSA-N 2 2 311.857 3.096 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)O ZINC000449547738 240279007 /nfs/dbraw/zinc/27/90/07/240279007.db2.gz YPEGQKSVIZDCSY-SUMWQHHRSA-N 2 2 310.869 3.053 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)C[NH+]1CCCC1 ZINC000171141702 432105387 /nfs/dbraw/zinc/10/53/87/432105387.db2.gz OIUMHWCSIKTJLL-FXAWDEMLSA-N 2 2 309.457 3.493 20 0 DGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449555537 240283743 /nfs/dbraw/zinc/28/37/43/240283743.db2.gz HULDMYIZIGQHMU-MNOVXSKESA-N 2 2 317.246 3.059 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560577 240291183 /nfs/dbraw/zinc/29/11/83/240291183.db2.gz MXTDBHCFLJEGDZ-MNIJEXPFSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560577 240291185 /nfs/dbraw/zinc/29/11/85/240291185.db2.gz MXTDBHCFLJEGDZ-MNIJEXPFSA-N 3 2 319.537 3.244 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449749376 240397026 /nfs/dbraw/zinc/39/70/26/240397026.db2.gz PAHPCUJDTTUCFZ-WBVHZDCISA-N 2 2 317.477 3.223 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3nc4c(cccc4C)o3)n2c1 ZINC000271789878 209218529 /nfs/dbraw/zinc/21/85/29/209218529.db2.gz GLEBMJNUTGAVHN-UHFFFAOYSA-N 2 2 320.396 3.425 20 0 DGADLP C[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CCC[NH2+]C1 ZINC000423330355 291389948 /nfs/dbraw/zinc/38/99/48/291389948.db2.gz FVCKDNBBOXRCAT-OALUTQOASA-N 2 2 313.420 3.289 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)[nH+]1 ZINC000455487056 242214811 /nfs/dbraw/zinc/21/48/11/242214811.db2.gz SCPXSBLOJKXNPS-OAHLLOKOSA-N 2 2 320.481 3.495 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487048 242215644 /nfs/dbraw/zinc/21/56/44/242215644.db2.gz SBXVYLGVXFBJEG-SWLSCSKDSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487048 242215650 /nfs/dbraw/zinc/21/56/50/242215650.db2.gz SBXVYLGVXFBJEG-SWLSCSKDSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)[nH+]1 ZINC000455493896 242216814 /nfs/dbraw/zinc/21/68/14/242216814.db2.gz DFRITYSWWYVOLJ-JKSUJKDBSA-N 2 2 316.449 3.097 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335663 284000386 /nfs/dbraw/zinc/00/03/86/284000386.db2.gz GQULSVWWHQNNFU-OLZOCXBDSA-N 2 2 320.868 3.219 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335663 284000387 /nfs/dbraw/zinc/00/03/87/284000387.db2.gz GQULSVWWHQNNFU-OLZOCXBDSA-N 2 2 320.868 3.219 20 0 DGADLP COC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(F)c(F)c1 ZINC000271749428 209181031 /nfs/dbraw/zinc/18/10/31/209181031.db2.gz XFNUJBWADSXGTN-QGZVFWFLSA-N 2 2 306.356 3.188 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183516 212179448 /nfs/dbraw/zinc/17/94/48/212179448.db2.gz BDWWFFPZHHBWOF-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183516 212179452 /nfs/dbraw/zinc/17/94/52/212179452.db2.gz BDWWFFPZHHBWOF-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183516 212179455 /nfs/dbraw/zinc/17/94/55/212179455.db2.gz BDWWFFPZHHBWOF-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183516 212179458 /nfs/dbraw/zinc/17/94/58/212179458.db2.gz BDWWFFPZHHBWOF-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+](C)CCc1c[nH+]cn1C ZINC000459320630 243333539 /nfs/dbraw/zinc/33/35/39/243333539.db2.gz FMCGZARTEVWSGY-LBPRGKRZSA-N 2 2 322.250 3.418 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459320630 243333542 /nfs/dbraw/zinc/33/35/42/243333542.db2.gz FMCGZARTEVWSGY-LBPRGKRZSA-N 2 2 322.250 3.418 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(C[NH+](C)C)CC1 ZINC000468717538 244060858 /nfs/dbraw/zinc/06/08/58/244060858.db2.gz ORNDAIAJHNFOLC-UHFFFAOYSA-N 2 2 313.445 3.330 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874476 296135593 /nfs/dbraw/zinc/13/55/93/296135593.db2.gz DASOZPGIIAUGDR-QKLQHJQFSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874476 296135596 /nfs/dbraw/zinc/13/55/96/296135596.db2.gz DASOZPGIIAUGDR-QKLQHJQFSA-N 3 2 315.505 3.291 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)s2)C1 ZINC000470017631 244140501 /nfs/dbraw/zinc/14/05/01/244140501.db2.gz KRSJUCOBGZDHDI-NSHDSACASA-N 2 2 317.296 3.250 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(Br)s2)C1 ZINC000470017631 244140505 /nfs/dbraw/zinc/14/05/05/244140505.db2.gz KRSJUCOBGZDHDI-NSHDSACASA-N 2 2 317.296 3.250 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474077412 244366583 /nfs/dbraw/zinc/36/65/83/244366583.db2.gz BTXQJQPFXBIEKI-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474077412 244366588 /nfs/dbraw/zinc/36/65/88/244366588.db2.gz BTXQJQPFXBIEKI-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(F)c(F)c1 ZINC000271749422 209180219 /nfs/dbraw/zinc/18/02/19/209180219.db2.gz XFNUJBWADSXGTN-KRWDZBQOSA-N 2 2 306.356 3.188 20 0 DGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000119282538 284139575 /nfs/dbraw/zinc/13/95/75/284139575.db2.gz LRCJRZXPPBRHCW-MDJJKAFGSA-N 2 2 322.880 3.444 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000119866447 284154573 /nfs/dbraw/zinc/15/45/73/284154573.db2.gz ITAZADDDOGNGJX-HLIPFELVSA-N 2 2 316.489 3.097 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246334959 432120518 /nfs/dbraw/zinc/12/05/18/432120518.db2.gz GKWDSEDGGUHDEY-XHSDSOJGSA-N 2 2 312.461 3.334 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246334959 432120521 /nfs/dbraw/zinc/12/05/21/432120521.db2.gz GKWDSEDGGUHDEY-XHSDSOJGSA-N 2 2 312.461 3.334 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000093399378 193244341 /nfs/dbraw/zinc/24/43/41/193244341.db2.gz ZNQUWCFXRNPSPV-UONOGXRCSA-N 2 2 307.507 3.404 20 0 DGADLP CC[N@@H+](Cc1cccn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564740 193269612 /nfs/dbraw/zinc/26/96/12/193269612.db2.gz OTTDKQQKPRRCPB-UHFFFAOYSA-N 2 2 312.461 3.159 20 0 DGADLP CC[N@H+](Cc1cccn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564740 193269613 /nfs/dbraw/zinc/26/96/13/193269613.db2.gz OTTDKQQKPRRCPB-UHFFFAOYSA-N 2 2 312.461 3.159 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770013 193303086 /nfs/dbraw/zinc/30/30/86/193303086.db2.gz NTWZKZPVQFOMTP-ZDUSSCGKSA-N 2 2 316.367 3.201 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770013 193303087 /nfs/dbraw/zinc/30/30/87/193303087.db2.gz NTWZKZPVQFOMTP-ZDUSSCGKSA-N 2 2 316.367 3.201 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770013 193303089 /nfs/dbraw/zinc/30/30/89/193303089.db2.gz NTWZKZPVQFOMTP-ZDUSSCGKSA-N 2 2 316.367 3.201 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770013 193303091 /nfs/dbraw/zinc/30/30/91/193303091.db2.gz NTWZKZPVQFOMTP-ZDUSSCGKSA-N 2 2 316.367 3.201 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770202 193303813 /nfs/dbraw/zinc/30/38/13/193303813.db2.gz GCFQLNHOXSMMLJ-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770202 193303814 /nfs/dbraw/zinc/30/38/14/193303814.db2.gz GCFQLNHOXSMMLJ-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000093770202 193303816 /nfs/dbraw/zinc/30/38/16/193303816.db2.gz GCFQLNHOXSMMLJ-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000093770202 193303818 /nfs/dbraw/zinc/30/38/18/193303818.db2.gz GCFQLNHOXSMMLJ-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698031 432121019 /nfs/dbraw/zinc/12/10/19/432121019.db2.gz CXJYAKJCEXPBSL-KDOFPFPSSA-N 2 2 321.428 3.334 20 0 DGADLP C[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)CC(C)(C)C[NH3+] ZINC000093874077 193321957 /nfs/dbraw/zinc/32/19/57/193321957.db2.gz CAYZPROTRBGAKK-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP C[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)CC(C)(C)C[NH3+] ZINC000093874077 193321959 /nfs/dbraw/zinc/32/19/59/193321959.db2.gz CAYZPROTRBGAKK-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423066658 296148272 /nfs/dbraw/zinc/14/82/72/296148272.db2.gz FCYOQZIXURYSDE-ZOWXZIJZSA-N 2 2 316.367 3.123 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000486978659 245007968 /nfs/dbraw/zinc/00/79/68/245007968.db2.gz BWUFTTXBCWVXAQ-QPJJXVBHSA-N 2 2 318.424 3.172 20 0 DGADLP CC[C@@H](C[NH2+]C[C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486942527 245002089 /nfs/dbraw/zinc/00/20/89/245002089.db2.gz VHYZSYZXNXVEBH-QAPCUYQASA-N 2 2 304.503 3.166 20 0 DGADLP CC[C@@H](C[NH2+]C[C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486942527 245002092 /nfs/dbraw/zinc/00/20/92/245002092.db2.gz VHYZSYZXNXVEBH-QAPCUYQASA-N 2 2 304.503 3.166 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000246369414 432123174 /nfs/dbraw/zinc/12/31/74/432123174.db2.gz JEDNJCZGPNRRGP-SJLPKXTDSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000246369414 432123179 /nfs/dbraw/zinc/12/31/79/432123179.db2.gz JEDNJCZGPNRRGP-SJLPKXTDSA-N 2 2 301.478 3.462 20 0 DGADLP Cc1cc(NC[C@H](c2cccs2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000264675933 204071404 /nfs/dbraw/zinc/07/14/04/204071404.db2.gz VNEXEMWPCVAAEO-CYBMUJFWSA-N 2 2 302.447 3.439 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]CC1=CCCOC1)c1cccc(OC)c1 ZINC000126310417 284300161 /nfs/dbraw/zinc/30/01/61/284300161.db2.gz XRZBRRCSRHJPLP-LJQANCHMSA-N 2 2 318.461 3.014 20 0 DGADLP COc1ccc([C@@H](CNc2cc[nH+]c(C)n2)[NH+]2CCCC2)cc1 ZINC000266155267 205143298 /nfs/dbraw/zinc/14/32/98/205143298.db2.gz LPGPYSMKHLOZHO-QGZVFWFLSA-N 2 2 312.417 3.043 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000128072785 284362559 /nfs/dbraw/zinc/36/25/59/284362559.db2.gz RJQZBVCHXSPSHS-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP Cc1nc(NCC2CC[NH+](Cc3cccs3)CC2)cc[nH+]1 ZINC000266421144 205334172 /nfs/dbraw/zinc/33/41/72/205334172.db2.gz SCSZITBXLDOSEV-UHFFFAOYSA-N 2 2 302.447 3.171 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000268765434 432129317 /nfs/dbraw/zinc/12/93/17/432129317.db2.gz PSLTXCIBFBHKJK-LBPRGKRZSA-N 2 2 322.424 3.120 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCc4ccccc4OC3)[nH]c2c1 ZINC000493946081 246099164 /nfs/dbraw/zinc/09/91/64/246099164.db2.gz XDGQNIODZCXVSK-MRXNPFEDSA-N 2 2 321.424 3.479 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCc3ccccc3OC2)[nH+]c1 ZINC000493944224 246099466 /nfs/dbraw/zinc/09/94/66/246099466.db2.gz HRTKKSTYCGTDRF-QGZVFWFLSA-N 2 2 311.429 3.257 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CC2 ZINC000494412069 246144974 /nfs/dbraw/zinc/14/49/74/246144974.db2.gz KGZCRJSJEHEQDC-AWEZNQCLSA-N 2 2 310.426 3.111 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)CC2 ZINC000494411447 246145024 /nfs/dbraw/zinc/14/50/24/246145024.db2.gz JCRWHUBDKUIMCH-CYBMUJFWSA-N 2 2 302.447 3.102 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000494612185 246171159 /nfs/dbraw/zinc/17/11/59/246171159.db2.gz MQSNKMHIQJFJCT-AWEZNQCLSA-N 2 2 301.409 3.440 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000494877732 246204713 /nfs/dbraw/zinc/20/47/13/246204713.db2.gz IUKFXMFLHWZQIT-KRWDZBQOSA-N 2 2 319.497 3.138 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000494920786 246210777 /nfs/dbraw/zinc/21/07/77/246210777.db2.gz HUPZIHFAGLOTNS-RDJZCZTQSA-N 2 2 319.497 3.138 20 0 DGADLP COc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)ccc2c1 ZINC000495126548 246238309 /nfs/dbraw/zinc/23/83/09/246238309.db2.gz HWHKKYDTXWOUBQ-OXQOHEQNSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)ccc2c1 ZINC000495126548 246238312 /nfs/dbraw/zinc/23/83/12/246238312.db2.gz HWHKKYDTXWOUBQ-OXQOHEQNSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)ccc2c1 ZINC000495126548 246238313 /nfs/dbraw/zinc/23/83/13/246238313.db2.gz HWHKKYDTXWOUBQ-OXQOHEQNSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)ccc2c1 ZINC000495126548 246238314 /nfs/dbraw/zinc/23/83/14/246238314.db2.gz HWHKKYDTXWOUBQ-OXQOHEQNSA-N 2 2 310.441 3.374 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246542827 432142624 /nfs/dbraw/zinc/14/26/24/432142624.db2.gz JZUSGCLPEDJRSW-LZWOXQAQSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246542827 432142626 /nfs/dbraw/zinc/14/26/26/432142626.db2.gz JZUSGCLPEDJRSW-LZWOXQAQSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246542827 432142630 /nfs/dbraw/zinc/14/26/30/432142630.db2.gz JZUSGCLPEDJRSW-LZWOXQAQSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246542827 432142631 /nfs/dbraw/zinc/14/26/31/432142631.db2.gz JZUSGCLPEDJRSW-LZWOXQAQSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000181908081 432148765 /nfs/dbraw/zinc/14/87/65/432148765.db2.gz IFWJWEXBOOPNGG-DOTOQJQBSA-N 2 2 320.502 3.170 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000181908081 432148760 /nfs/dbraw/zinc/14/87/60/432148760.db2.gz IFWJWEXBOOPNGG-DOTOQJQBSA-N 2 2 320.502 3.170 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000040592068 183106537 /nfs/dbraw/zinc/10/65/37/183106537.db2.gz OYEWKAOVWSOZRC-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000040592068 183106539 /nfs/dbraw/zinc/10/65/39/183106539.db2.gz OYEWKAOVWSOZRC-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000040600016 183107771 /nfs/dbraw/zinc/10/77/71/183107771.db2.gz CVPROISSPIRISN-LBPRGKRZSA-N 2 2 317.260 3.304 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000040600016 183107772 /nfs/dbraw/zinc/10/77/72/183107772.db2.gz CVPROISSPIRISN-LBPRGKRZSA-N 2 2 317.260 3.304 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000043675412 183379152 /nfs/dbraw/zinc/37/91/52/183379152.db2.gz ZJWPYNXRINYBEP-UHFFFAOYSA-N 2 2 317.296 3.475 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccccc3F)CC2)c1 ZINC000104716865 194030146 /nfs/dbraw/zinc/03/01/46/194030146.db2.gz GHWFKKXWNHHOQH-CQSZACIVSA-N 2 2 315.392 3.113 20 0 DGADLP COCCc1cc[nH+]c(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000285212595 218334754 /nfs/dbraw/zinc/33/47/54/218334754.db2.gz PGGQTAXLZDOGRX-UHFFFAOYSA-N 2 2 322.412 3.377 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000245550320 284822960 /nfs/dbraw/zinc/82/29/60/284822960.db2.gz HNHITMCAKAJFAE-MKXGPGLRSA-N 2 2 314.473 3.227 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000109765072 194283739 /nfs/dbraw/zinc/28/37/39/194283739.db2.gz PFPIUVIDIYCRHH-LLVKDONJSA-N 2 2 311.389 3.195 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883052 207053724 /nfs/dbraw/zinc/05/37/24/207053724.db2.gz BXNQIZBFMMIBMV-IEBWSBKVSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883052 207053726 /nfs/dbraw/zinc/05/37/26/207053726.db2.gz BXNQIZBFMMIBMV-IEBWSBKVSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000268883052 207053727 /nfs/dbraw/zinc/05/37/27/207053727.db2.gz BXNQIZBFMMIBMV-IEBWSBKVSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000268883052 207053728 /nfs/dbraw/zinc/05/37/28/207053728.db2.gz BXNQIZBFMMIBMV-IEBWSBKVSA-N 2 2 311.429 3.161 20 0 DGADLP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268914328 207080915 /nfs/dbraw/zinc/08/09/15/207080915.db2.gz UKBBHXNVBFLQEN-OXJNMPFZSA-N 2 2 321.424 3.431 20 0 DGADLP C[NH+](C)CCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269010021 207162207 /nfs/dbraw/zinc/16/22/07/207162207.db2.gz NLRVVFJZHFICIG-UHFFFAOYSA-N 3 2 323.912 3.236 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020750 207170728 /nfs/dbraw/zinc/17/07/28/207170728.db2.gz PXWAECRQOBTMEU-FTRWYGJKSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020750 207170731 /nfs/dbraw/zinc/17/07/31/207170731.db2.gz PXWAECRQOBTMEU-FTRWYGJKSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269049814 207198898 /nfs/dbraw/zinc/19/88/98/207198898.db2.gz ZHCXJHGHBSFRJF-QMMLZNLJSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269049814 207198901 /nfs/dbraw/zinc/19/89/01/207198901.db2.gz ZHCXJHGHBSFRJF-QMMLZNLJSA-N 2 2 324.468 3.363 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680899 184182427 /nfs/dbraw/zinc/18/24/27/184182427.db2.gz HTZKCXKZHMCWCV-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680899 184182428 /nfs/dbraw/zinc/18/24/28/184182428.db2.gz HTZKCXKZHMCWCV-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014486 184201579 /nfs/dbraw/zinc/20/15/79/184201579.db2.gz YFGONLUXUQJPNJ-SNVBAGLBSA-N 2 2 308.813 3.110 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014486 184201580 /nfs/dbraw/zinc/20/15/80/184201580.db2.gz YFGONLUXUQJPNJ-SNVBAGLBSA-N 2 2 308.813 3.110 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563403 532984737 /nfs/dbraw/zinc/98/47/37/532984737.db2.gz IXHOSRLYJXUGBE-DGCLKSJQSA-N 2 2 321.371 3.179 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563403 532984745 /nfs/dbraw/zinc/98/47/45/532984745.db2.gz IXHOSRLYJXUGBE-DGCLKSJQSA-N 2 2 321.371 3.179 20 0 DGADLP CC[NH+](CCC[N@@H+](CC)Cc1ccccn1)Cc1ccccn1 ZINC000119833578 195044919 /nfs/dbraw/zinc/04/49/19/195044919.db2.gz QLKFSHUHNSBDRW-UHFFFAOYSA-N 2 2 312.461 3.211 20 0 DGADLP CC[NH+](CCC[N@H+](CC)Cc1ccccn1)Cc1ccccn1 ZINC000119833578 195044922 /nfs/dbraw/zinc/04/49/22/195044922.db2.gz QLKFSHUHNSBDRW-UHFFFAOYSA-N 2 2 312.461 3.211 20 0 DGADLP C[C@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC[NH2+]C1 ZINC000120135854 195102951 /nfs/dbraw/zinc/10/29/51/195102951.db2.gz IKBBVKFHUCHUAW-SFHVURJKSA-N 2 2 311.385 3.202 20 0 DGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430575143 533026544 /nfs/dbraw/zinc/02/65/44/533026544.db2.gz KCPVERGDPWHMDO-CJNGLKHVSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430575143 533026548 /nfs/dbraw/zinc/02/65/48/533026548.db2.gz KCPVERGDPWHMDO-CJNGLKHVSA-N 2 2 323.506 3.041 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CCCO)n1-c1ccccc1 ZINC000336865804 253013084 /nfs/dbraw/zinc/01/30/84/253013084.db2.gz MWEANVHJLFGUEB-UHFFFAOYSA-N 2 2 301.434 3.069 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)Cc1noc(C[NH3+])n1 ZINC000337078629 253044333 /nfs/dbraw/zinc/04/43/33/253044333.db2.gz SUAJULWNKVEUOX-INIZCTEOSA-N 2 2 316.449 3.152 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cc1noc(C[NH3+])n1 ZINC000337078629 253044334 /nfs/dbraw/zinc/04/43/34/253044334.db2.gz SUAJULWNKVEUOX-INIZCTEOSA-N 2 2 316.449 3.152 20 0 DGADLP FC(F)O[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337322784 253087035 /nfs/dbraw/zinc/08/70/35/253087035.db2.gz ZZNWRRGMKSSEST-GJZGRUSLSA-N 2 2 307.344 3.122 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)c[nH+]1 ZINC000337376230 253100797 /nfs/dbraw/zinc/10/07/97/253100797.db2.gz GVGLCQCSQOKKRC-GOSISDBHSA-N 2 2 311.429 3.311 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337459144 253119779 /nfs/dbraw/zinc/11/97/79/253119779.db2.gz JWULIGYEYSXVAE-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337459144 253119782 /nfs/dbraw/zinc/11/97/82/253119782.db2.gz JWULIGYEYSXVAE-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)oc1C ZINC000337481914 253124244 /nfs/dbraw/zinc/12/42/44/253124244.db2.gz QZEQQTZCERVROK-JCGIZDLHSA-N 2 2 320.477 3.315 20 0 DGADLP C([NH2+][C@H]1CCC12CCC2)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000337492495 253127276 /nfs/dbraw/zinc/12/72/76/253127276.db2.gz WZZSBUNFXWRHQK-KRWDZBQOSA-N 2 2 306.494 3.191 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337501753 253128765 /nfs/dbraw/zinc/12/87/65/253128765.db2.gz BSGLGTXZWVTIJW-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337501753 253128770 /nfs/dbraw/zinc/12/87/70/253128770.db2.gz BSGLGTXZWVTIJW-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337811282 253177756 /nfs/dbraw/zinc/17/77/56/253177756.db2.gz MLFAEDMOZDZUTM-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337811282 253177757 /nfs/dbraw/zinc/17/77/57/253177757.db2.gz MLFAEDMOZDZUTM-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP C[C@H](c1ccccn1)[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337900296 253191336 /nfs/dbraw/zinc/19/13/36/253191336.db2.gz PKKALKMQTGNLAZ-SZVBFZGTSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337900296 253191339 /nfs/dbraw/zinc/19/13/39/253191339.db2.gz PKKALKMQTGNLAZ-SZVBFZGTSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337900296 253191340 /nfs/dbraw/zinc/19/13/40/253191340.db2.gz PKKALKMQTGNLAZ-SZVBFZGTSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1ccccn1)[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337900296 253191343 /nfs/dbraw/zinc/19/13/43/253191343.db2.gz PKKALKMQTGNLAZ-SZVBFZGTSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338022932 253211965 /nfs/dbraw/zinc/21/19/65/253211965.db2.gz ZCAWXTIJOMFNBG-CRAIPNDOSA-N 2 2 313.445 3.464 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)[nH]1 ZINC000270316050 208389218 /nfs/dbraw/zinc/38/92/18/208389218.db2.gz QKVUBFRMEYJJAT-UHFFFAOYSA-N 2 2 321.428 3.034 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000338287027 253257155 /nfs/dbraw/zinc/25/71/55/253257155.db2.gz CZNHXBKGMRLERU-CYBMUJFWSA-N 2 2 319.478 3.296 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000338563663 253312080 /nfs/dbraw/zinc/31/20/80/253312080.db2.gz NSLLAKANTFUUHQ-QGZVFWFLSA-N 2 2 318.461 3.002 20 0 DGADLP C[C@H]1CC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000338781106 253350766 /nfs/dbraw/zinc/35/07/66/253350766.db2.gz AXUKRHYABYRENJ-HOTGVXAUSA-N 2 2 317.477 3.234 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCOC[C@@H]3C)ccc2n1C1CC1 ZINC000338795130 253352311 /nfs/dbraw/zinc/35/23/11/253352311.db2.gz ZBPQLJAEMZYUAH-XJKSGUPXSA-N 2 2 313.445 3.448 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCOC[C@H]3C)ccc2n1C1CC1 ZINC000338795128 253352505 /nfs/dbraw/zinc/35/25/05/253352505.db2.gz ZBPQLJAEMZYUAH-CJNGLKHVSA-N 2 2 313.445 3.448 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158847927 197306556 /nfs/dbraw/zinc/30/65/56/197306556.db2.gz ZWXMLXZLNHZMQJ-IRXDYDNUSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158847927 197306558 /nfs/dbraw/zinc/30/65/58/197306558.db2.gz ZWXMLXZLNHZMQJ-IRXDYDNUSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158847927 197306559 /nfs/dbraw/zinc/30/65/59/197306559.db2.gz ZWXMLXZLNHZMQJ-IRXDYDNUSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158847927 197306561 /nfs/dbraw/zinc/30/65/61/197306561.db2.gz ZWXMLXZLNHZMQJ-IRXDYDNUSA-N 2 2 311.429 3.258 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]CC[C@H]3CCOC3)ccc2n1C1CC1 ZINC000338951880 253377932 /nfs/dbraw/zinc/37/79/32/253377932.db2.gz VBMRPOMQPAYMIR-AWEZNQCLSA-N 2 2 313.445 3.450 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000345146545 285131202 /nfs/dbraw/zinc/13/12/02/285131202.db2.gz BFWUFDZCUAGQCG-IEBWSBKVSA-N 2 2 304.478 3.474 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000158510486 197279433 /nfs/dbraw/zinc/27/94/33/197279433.db2.gz HSNQVHIMHSRRNS-CVEARBPZSA-N 2 2 318.490 3.150 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000158510788 197279250 /nfs/dbraw/zinc/27/92/50/197279250.db2.gz HSNQVHIMHSRRNS-HZPDHXFCSA-N 2 2 318.490 3.150 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120281324 195134224 /nfs/dbraw/zinc/13/42/24/195134224.db2.gz FGIKBRQTMHEYPO-MAUKXSAKSA-N 2 2 324.428 3.419 20 0 DGADLP C[N@@H+](Cc1nc2ccccc2n1C(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000158080043 197242152 /nfs/dbraw/zinc/24/21/52/197242152.db2.gz APOISEFITSUGBW-CYBMUJFWSA-N 2 2 322.403 3.205 20 0 DGADLP C[N@H+](Cc1nc2ccccc2n1C(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000158080043 197242155 /nfs/dbraw/zinc/24/21/55/197242155.db2.gz APOISEFITSUGBW-CYBMUJFWSA-N 2 2 322.403 3.205 20 0 DGADLP C[NH+](Cc1nc2ccccc2n1C(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000158080043 197242157 /nfs/dbraw/zinc/24/21/57/197242157.db2.gz APOISEFITSUGBW-CYBMUJFWSA-N 2 2 322.403 3.205 20 0 DGADLP C[NH+](Cc1nc2ccccc2n1C(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158080043 197242159 /nfs/dbraw/zinc/24/21/59/197242159.db2.gz APOISEFITSUGBW-CYBMUJFWSA-N 2 2 322.403 3.205 20 0 DGADLP C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000342589836 254014475 /nfs/dbraw/zinc/01/44/75/254014475.db2.gz VPHAHTYMZOSGNV-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP C[N@H+](Cc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000342589836 254014478 /nfs/dbraw/zinc/01/44/78/254014478.db2.gz VPHAHTYMZOSGNV-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP C[NH+](Cc1ccccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000342589836 254014479 /nfs/dbraw/zinc/01/44/79/254014479.db2.gz VPHAHTYMZOSGNV-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP C[NH+](Cc1ccccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342589836 254014482 /nfs/dbraw/zinc/01/44/82/254014482.db2.gz VPHAHTYMZOSGNV-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342930380 254075889 /nfs/dbraw/zinc/07/58/89/254075889.db2.gz UJDYBEBYNAQBRG-HZPDHXFCSA-N 2 2 301.434 3.360 20 0 DGADLP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342930380 254075890 /nfs/dbraw/zinc/07/58/90/254075890.db2.gz UJDYBEBYNAQBRG-HZPDHXFCSA-N 2 2 301.434 3.360 20 0 DGADLP Cc1[nH+]cc(CNc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1 ZINC000342770629 254046920 /nfs/dbraw/zinc/04/69/20/254046920.db2.gz INUZEKFHAKXOBB-UHFFFAOYSA-N 2 2 303.369 3.091 20 0 DGADLP Cc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000342788997 254050032 /nfs/dbraw/zinc/05/00/32/254050032.db2.gz ONENCQGZRHTBJS-NWDGAFQWSA-N 2 2 312.255 3.437 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561313 296390649 /nfs/dbraw/zinc/39/06/49/296390649.db2.gz OCYVOFXKEDLYEL-KLAILNCOSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561313 296390650 /nfs/dbraw/zinc/39/06/50/296390650.db2.gz OCYVOFXKEDLYEL-KLAILNCOSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@H](O)C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000157636979 197203606 /nfs/dbraw/zinc/20/36/06/197203606.db2.gz NGGZNCRHNKJORY-GJZGRUSLSA-N 2 2 324.896 3.301 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343076989 254095163 /nfs/dbraw/zinc/09/51/63/254095163.db2.gz YOBBQAIQJZUKGK-PXNSSMCTSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343076989 254095164 /nfs/dbraw/zinc/09/51/64/254095164.db2.gz YOBBQAIQJZUKGK-PXNSSMCTSA-N 3 2 315.505 3.102 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000157374430 197182624 /nfs/dbraw/zinc/18/26/24/197182624.db2.gz JLFQIWVJKBNECU-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000157374430 197182626 /nfs/dbraw/zinc/18/26/26/197182626.db2.gz JLFQIWVJKBNECU-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP Cc1ccoc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000343357206 254131556 /nfs/dbraw/zinc/13/15/56/254131556.db2.gz KGKAUGVXQNEFFH-UHFFFAOYSA-N 2 2 302.393 3.481 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000343460233 254147014 /nfs/dbraw/zinc/14/70/14/254147014.db2.gz SPLUQIHXCUKVDJ-IXDOHACOSA-N 2 2 310.445 3.217 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000343657796 254174357 /nfs/dbraw/zinc/17/43/57/254174357.db2.gz LPSBQNRYJJWJKM-OALUTQOASA-N 2 2 307.441 3.316 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000343732994 254182926 /nfs/dbraw/zinc/18/29/26/254182926.db2.gz CXWPAUONMDXCDS-OAHLLOKOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000343732994 254182928 /nfs/dbraw/zinc/18/29/28/254182928.db2.gz CXWPAUONMDXCDS-OAHLLOKOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802174 533129001 /nfs/dbraw/zinc/12/90/01/533129001.db2.gz BFGJDEMCZBKGNP-DZKIICNBSA-N 2 2 306.450 3.274 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)ccc1Br ZINC000344320498 254256157 /nfs/dbraw/zinc/25/61/57/254256157.db2.gz CPNJUZOFIDWNJV-SWLSCSKDSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1Br ZINC000344320498 254256159 /nfs/dbraw/zinc/25/61/59/254256159.db2.gz CPNJUZOFIDWNJV-SWLSCSKDSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000344334504 254258439 /nfs/dbraw/zinc/25/84/39/254258439.db2.gz QESGMIVLPSOIRM-WFASDCNBSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000344334504 254258441 /nfs/dbraw/zinc/25/84/41/254258441.db2.gz QESGMIVLPSOIRM-WFASDCNBSA-N 2 2 311.267 3.330 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000255954334 285189218 /nfs/dbraw/zinc/18/92/18/285189218.db2.gz GHBWUIHQWAKJPH-WBVHZDCISA-N 2 2 316.445 3.440 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000255954334 285189220 /nfs/dbraw/zinc/18/92/20/285189220.db2.gz GHBWUIHQWAKJPH-WBVHZDCISA-N 2 2 316.445 3.440 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 ZINC000344763500 254303365 /nfs/dbraw/zinc/30/33/65/254303365.db2.gz FNHGYVNOTFBKID-UHFFFAOYSA-N 2 2 312.461 3.221 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000255954610 285189329 /nfs/dbraw/zinc/18/93/29/285189329.db2.gz UYVXXNVWCMTTCB-RHSMWYFYSA-N 2 2 310.869 3.347 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000255954610 285189331 /nfs/dbraw/zinc/18/93/31/285189331.db2.gz UYVXXNVWCMTTCB-RHSMWYFYSA-N 2 2 310.869 3.347 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000345201639 254340575 /nfs/dbraw/zinc/34/05/75/254340575.db2.gz GRDMONOINKANQM-UHFFFAOYSA-N 2 2 318.461 3.248 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000345201639 254340577 /nfs/dbraw/zinc/34/05/77/254340577.db2.gz GRDMONOINKANQM-UHFFFAOYSA-N 2 2 318.461 3.248 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000345282125 254348851 /nfs/dbraw/zinc/34/88/51/254348851.db2.gz YNOJWOGZOSQBGD-NEPJUHHUSA-N 2 2 302.871 3.163 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000345349512 254356129 /nfs/dbraw/zinc/35/61/29/254356129.db2.gz MYJBRZOBYWQMGB-RTBURBONSA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000345349512 254356130 /nfs/dbraw/zinc/35/61/30/254356130.db2.gz MYJBRZOBYWQMGB-RTBURBONSA-N 2 2 324.472 3.220 20 0 DGADLP Fc1cc2cccnc2c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000261818006 285192651 /nfs/dbraw/zinc/19/26/51/285192651.db2.gz WGRQPHYOZDQVIS-UHFFFAOYSA-N 2 2 313.420 3.338 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156553470 197122471 /nfs/dbraw/zinc/12/24/71/197122471.db2.gz QQGVXSBVHUNDRH-KGLIPLIRSA-N 2 2 302.422 3.252 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156553470 197122472 /nfs/dbraw/zinc/12/24/72/197122472.db2.gz QQGVXSBVHUNDRH-KGLIPLIRSA-N 2 2 302.422 3.252 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155022146 197014723 /nfs/dbraw/zinc/01/47/23/197014723.db2.gz PKIULPKMQAKKIH-YRGRVCCFSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155022146 197014724 /nfs/dbraw/zinc/01/47/24/197014724.db2.gz PKIULPKMQAKKIH-YRGRVCCFSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nccn1-c1ccccc1 ZINC000297508932 285269569 /nfs/dbraw/zinc/26/95/69/285269569.db2.gz VTRTWTCHJWKOKB-HNNXBMFYSA-N 2 2 310.445 3.150 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC000120740405 195228257 /nfs/dbraw/zinc/22/82/57/195228257.db2.gz CDYAODQGDTZBKK-WBVHZDCISA-N 2 2 322.493 3.201 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000120708278 195221466 /nfs/dbraw/zinc/22/14/66/195221466.db2.gz KGRSMCFRSYWZPM-HUUCEWRRSA-N 2 2 318.465 3.270 20 0 DGADLP CC[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCOC1 ZINC000120867183 195253102 /nfs/dbraw/zinc/25/31/02/195253102.db2.gz NWAQFVIWHXYSOM-FHWLQOOXSA-N 2 2 302.462 3.228 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560038 209013285 /nfs/dbraw/zinc/01/32/85/209013285.db2.gz WNNUBYGKEPJUPS-RTBURBONSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560038 209013288 /nfs/dbraw/zinc/01/32/88/209013288.db2.gz WNNUBYGKEPJUPS-RTBURBONSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560025 209014519 /nfs/dbraw/zinc/01/45/19/209014519.db2.gz WNNUBYGKEPJUPS-MOPGFXCFSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560025 209014523 /nfs/dbraw/zinc/01/45/23/209014523.db2.gz WNNUBYGKEPJUPS-MOPGFXCFSA-N 2 2 314.473 3.342 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000271562970 209015164 /nfs/dbraw/zinc/01/51/64/209015164.db2.gz XFXDXIDHSWTFOO-GOSISDBHSA-N 2 2 310.445 3.041 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632788 221116242 /nfs/dbraw/zinc/11/62/42/221116242.db2.gz VZFIITFKUUSISK-ZYHUDNBSSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632788 221116245 /nfs/dbraw/zinc/11/62/45/221116245.db2.gz VZFIITFKUUSISK-ZYHUDNBSSA-N 2 2 317.260 3.099 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000289726348 221181820 /nfs/dbraw/zinc/18/18/20/221181820.db2.gz XLUPCPWQFDMOEY-OALUTQOASA-N 2 2 323.440 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000289726348 221181824 /nfs/dbraw/zinc/18/18/24/221181824.db2.gz XLUPCPWQFDMOEY-OALUTQOASA-N 2 2 323.440 3.406 20 0 DGADLP Cc1ccc2c(c1)nc(C[NH2+]CCCc1c[nH+]ccc1C)n2C ZINC000289779814 221221648 /nfs/dbraw/zinc/22/16/48/221221648.db2.gz RIDQBYDRWUHHHK-UHFFFAOYSA-N 2 2 308.429 3.308 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cnn(C(C)(C)C)c1 ZINC000289791331 221228384 /nfs/dbraw/zinc/22/83/84/221228384.db2.gz LWZRIVIDNMQOMN-UHFFFAOYSA-N 2 2 318.465 3.185 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cnn(C(C)(C)C)c1 ZINC000289791331 221228387 /nfs/dbraw/zinc/22/83/87/221228387.db2.gz LWZRIVIDNMQOMN-UHFFFAOYSA-N 2 2 318.465 3.185 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cnn(C(C)(C)C)c1)Cc1ccco1 ZINC000289791331 221228390 /nfs/dbraw/zinc/22/83/90/221228390.db2.gz LWZRIVIDNMQOMN-UHFFFAOYSA-N 2 2 318.465 3.185 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cnn(C(C)(C)C)c1)Cc1ccco1 ZINC000289791331 221228392 /nfs/dbraw/zinc/22/83/92/221228392.db2.gz LWZRIVIDNMQOMN-UHFFFAOYSA-N 2 2 318.465 3.185 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341395434 285322954 /nfs/dbraw/zinc/32/29/54/285322954.db2.gz LPKZQWZJHURNMU-LJQANCHMSA-N 2 2 323.440 3.159 20 0 DGADLP Cc1ccc(C)c(OC2CC[NH+](CCc3c[nH+]cn3C)CC2)c1 ZINC000290011005 221379651 /nfs/dbraw/zinc/37/96/51/221379651.db2.gz LXAAOSNXZKRZCX-UHFFFAOYSA-N 2 2 313.445 3.123 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419764 285325694 /nfs/dbraw/zinc/32/56/94/285325694.db2.gz JDBTZUDNLIRDPH-DOMZBBRYSA-N 2 2 316.367 3.125 20 0 DGADLP Cc1cccnc1CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000294988242 224361914 /nfs/dbraw/zinc/36/19/14/224361914.db2.gz KKYNYSIFKZQWFB-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP Clc1cnc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000349654085 285345268 /nfs/dbraw/zinc/34/52/68/285345268.db2.gz ISKOMSVNWBZISX-UHFFFAOYSA-N 2 2 304.806 3.272 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000121033702 195284517 /nfs/dbraw/zinc/28/45/17/195284517.db2.gz GCCVZFIHFDEHIX-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000121033702 195284519 /nfs/dbraw/zinc/28/45/19/195284519.db2.gz GCCVZFIHFDEHIX-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000121033702 195284521 /nfs/dbraw/zinc/28/45/21/195284521.db2.gz GCCVZFIHFDEHIX-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121033702 195284524 /nfs/dbraw/zinc/28/45/24/195284524.db2.gz GCCVZFIHFDEHIX-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)[nH+]c1 ZINC000121654915 195325369 /nfs/dbraw/zinc/32/53/69/195325369.db2.gz KPCGVGUDAIJPBC-NXHRZFHOSA-N 2 2 315.461 3.211 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121723231 195334678 /nfs/dbraw/zinc/33/46/78/195334678.db2.gz HDVUBMGZTARDFK-WBVHZDCISA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121723231 195334681 /nfs/dbraw/zinc/33/46/81/195334681.db2.gz HDVUBMGZTARDFK-WBVHZDCISA-N 2 2 324.428 3.175 20 0 DGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000121778623 195346391 /nfs/dbraw/zinc/34/63/91/195346391.db2.gz UGULJZBTXNYOPJ-OAHLLOKOSA-N 2 2 305.809 3.348 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423533174 285388666 /nfs/dbraw/zinc/38/86/66/285388666.db2.gz SMZNCHTULKQNDE-SLFFLAALSA-N 2 2 308.425 3.115 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415130977 533423779 /nfs/dbraw/zinc/42/37/79/533423779.db2.gz ROZARFBVPRCJCM-ZYHUDNBSSA-N 2 2 317.260 3.419 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415130977 533423782 /nfs/dbraw/zinc/42/37/82/533423782.db2.gz ROZARFBVPRCJCM-ZYHUDNBSSA-N 2 2 317.260 3.419 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C[NH3+] ZINC000415123246 533643158 /nfs/dbraw/zinc/64/31/58/533643158.db2.gz JHMKUWWGKMUQKI-DZGCQCFKSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C[NH3+] ZINC000415123246 533643161 /nfs/dbraw/zinc/64/31/61/533643161.db2.gz JHMKUWWGKMUQKI-DZGCQCFKSA-N 2 2 301.459 3.227 20 0 DGADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(C)C ZINC000356829130 285510280 /nfs/dbraw/zinc/51/02/80/285510280.db2.gz CVUQZKLVKGHQIW-IACUBPJLSA-N 2 2 322.415 3.052 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180168258 292075891 /nfs/dbraw/zinc/07/58/91/292075891.db2.gz SJBNTBYGWCMLAZ-LBPRGKRZSA-N 2 2 310.404 3.196 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000421800884 292135833 /nfs/dbraw/zinc/13/58/33/292135833.db2.gz JGNROFOQCSBXDL-SJLPKXTDSA-N 2 2 304.478 3.097 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540766 400093867 /nfs/dbraw/zinc/09/38/67/400093867.db2.gz GKNRXPFSCAFCQU-ZFWWWQNUSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540766 400093872 /nfs/dbraw/zinc/09/38/72/400093872.db2.gz GKNRXPFSCAFCQU-ZFWWWQNUSA-N 2 2 322.449 3.099 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837453 400096115 /nfs/dbraw/zinc/09/61/15/400096115.db2.gz FBHJFXISQLFRIO-AAEUAGOBSA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837453 400096122 /nfs/dbraw/zinc/09/61/22/400096122.db2.gz FBHJFXISQLFRIO-AAEUAGOBSA-N 2 2 317.389 3.038 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C(C)C)cc1 ZINC000091375345 400115368 /nfs/dbraw/zinc/11/53/68/400115368.db2.gz XHBFVACLGIVEDW-LPHOPBHVSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@]1([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCCOC1 ZINC000357838626 285889222 /nfs/dbraw/zinc/88/92/22/285889222.db2.gz GAZQEKYXPLMSGK-GOSISDBHSA-N 2 2 322.880 3.463 20 0 DGADLP CC(C)CSCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090881923 400080225 /nfs/dbraw/zinc/08/02/25/400080225.db2.gz PYLDECMINYNQJY-UHFFFAOYSA-N 2 2 321.534 3.415 20 0 DGADLP c1ccc2c(c1)n[nH]c2C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000589843426 400334073 /nfs/dbraw/zinc/33/40/73/400334073.db2.gz KKLGDPUAKFJWIC-UHFFFAOYSA-N 2 2 305.385 3.162 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601827396 400360365 /nfs/dbraw/zinc/36/03/65/400360365.db2.gz VXGSZWNMGCDCDF-QGZVFWFLSA-N 2 2 311.385 3.297 20 0 DGADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601827396 400360367 /nfs/dbraw/zinc/36/03/67/400360367.db2.gz VXGSZWNMGCDCDF-QGZVFWFLSA-N 2 2 311.385 3.297 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860090 400409490 /nfs/dbraw/zinc/40/94/90/400409490.db2.gz RCNMRJFKJNIAKG-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860090 400409492 /nfs/dbraw/zinc/40/94/92/400409492.db2.gz RCNMRJFKJNIAKG-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860090 400409497 /nfs/dbraw/zinc/40/94/97/400409497.db2.gz RCNMRJFKJNIAKG-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860090 400409500 /nfs/dbraw/zinc/40/95/00/400409500.db2.gz RCNMRJFKJNIAKG-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000044712028 400500511 /nfs/dbraw/zinc/50/05/11/400500511.db2.gz IWEQYHLUQNIAQM-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP Cc1ccc2cc[nH+]c(N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000074389132 400509181 /nfs/dbraw/zinc/50/91/81/400509181.db2.gz JBILGNRKWDYEGE-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869479 400568315 /nfs/dbraw/zinc/56/83/15/400568315.db2.gz YTKZYPVQHHDREZ-CQSZACIVSA-N 2 2 307.344 3.322 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869479 400568318 /nfs/dbraw/zinc/56/83/18/400568318.db2.gz YTKZYPVQHHDREZ-CQSZACIVSA-N 2 2 307.344 3.322 20 0 DGADLP COc1ccccc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005930 400713284 /nfs/dbraw/zinc/71/32/84/400713284.db2.gz YHZDZTUFQSMMLK-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP Fc1cccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052005140 400714097 /nfs/dbraw/zinc/71/40/97/400714097.db2.gz GFSNEODLBBYCIX-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP C(c1noc2c1CCCC2)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157262898 400716274 /nfs/dbraw/zinc/71/62/74/400716274.db2.gz GYIUCVHITBRMHY-OAHLLOKOSA-N 2 2 303.450 3.004 20 0 DGADLP C(c1noc2c1CCCC2)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157262898 400716278 /nfs/dbraw/zinc/71/62/78/400716278.db2.gz GYIUCVHITBRMHY-OAHLLOKOSA-N 2 2 303.450 3.004 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000605712117 400883169 /nfs/dbraw/zinc/88/31/69/400883169.db2.gz QSMZIHRPPZATNH-HIFRSBDPSA-N 2 2 320.462 3.274 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000605712117 400883173 /nfs/dbraw/zinc/88/31/73/400883173.db2.gz QSMZIHRPPZATNH-HIFRSBDPSA-N 2 2 320.462 3.274 20 0 DGADLP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154281 400845547 /nfs/dbraw/zinc/84/55/47/400845547.db2.gz GMIVLXSSZRMJCG-ROUUACIJSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154281 400845551 /nfs/dbraw/zinc/84/55/51/400845551.db2.gz GMIVLXSSZRMJCG-ROUUACIJSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H]([C@H]1CCCC[NH2+]1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514764 400952660 /nfs/dbraw/zinc/95/26/60/400952660.db2.gz OLPPZDABMCXXCI-KBRIMQKVSA-N 2 2 308.853 3.324 20 0 DGADLP C[C@H]([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514764 400952665 /nfs/dbraw/zinc/95/26/65/400952665.db2.gz OLPPZDABMCXXCI-KBRIMQKVSA-N 2 2 308.853 3.324 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835852 400913753 /nfs/dbraw/zinc/91/37/53/400913753.db2.gz ULUSVQKSXYBWOF-JENIJYKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835852 400913760 /nfs/dbraw/zinc/91/37/60/400913760.db2.gz ULUSVQKSXYBWOF-JENIJYKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835827 400913770 /nfs/dbraw/zinc/91/37/70/400913770.db2.gz ULUSVQKSXYBWOF-YQVWRLOYSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835827 400913773 /nfs/dbraw/zinc/91/37/73/400913773.db2.gz ULUSVQKSXYBWOF-YQVWRLOYSA-N 2 2 304.478 3.302 20 0 DGADLP O[C@H](CNc1ccc([NH2+]CC2CCCC2)cc1)C[NH+]1CCCC1 ZINC000629581661 400981291 /nfs/dbraw/zinc/98/12/91/400981291.db2.gz FKYKOUXDBKUQBY-LJQANCHMSA-N 2 2 317.477 3.157 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629653702 401019761 /nfs/dbraw/zinc/01/97/61/401019761.db2.gz FPFHADYJYYPDLI-GWCFXTLKSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629653702 401019768 /nfs/dbraw/zinc/01/97/68/401019768.db2.gz FPFHADYJYYPDLI-GWCFXTLKSA-N 2 2 324.749 3.438 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317628 401020789 /nfs/dbraw/zinc/02/07/89/401020789.db2.gz TWKWFRSQMZOBPQ-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317628 401020801 /nfs/dbraw/zinc/02/08/01/401020801.db2.gz TWKWFRSQMZOBPQ-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317628 401020806 /nfs/dbraw/zinc/02/08/06/401020806.db2.gz TWKWFRSQMZOBPQ-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317628 401020816 /nfs/dbraw/zinc/02/08/16/401020816.db2.gz TWKWFRSQMZOBPQ-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000599306384 401016873 /nfs/dbraw/zinc/01/68/73/401016873.db2.gz GUYZZPWPLBYYHB-HNNXBMFYSA-N 2 2 321.465 3.346 20 0 DGADLP COCc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)o1 ZINC000629648371 401016929 /nfs/dbraw/zinc/01/69/29/401016929.db2.gz UVQCUYXOBQTZQU-GOSISDBHSA-N 2 2 302.418 3.339 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1Cl ZINC000629528908 400961186 /nfs/dbraw/zinc/96/11/86/400961186.db2.gz MVUYMUXRMNSMTN-UHFFFAOYSA-N 2 2 304.821 3.397 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1Cl ZINC000629528908 400961189 /nfs/dbraw/zinc/96/11/89/400961189.db2.gz MVUYMUXRMNSMTN-UHFFFAOYSA-N 2 2 304.821 3.397 20 0 DGADLP CCOC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000594050113 400964695 /nfs/dbraw/zinc/96/46/95/400964695.db2.gz ARRGTAPXJDOPOK-UHFFFAOYSA-N 2 2 315.417 3.036 20 0 DGADLP CCOC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000594050113 400964701 /nfs/dbraw/zinc/96/47/01/400964701.db2.gz ARRGTAPXJDOPOK-UHFFFAOYSA-N 2 2 315.417 3.036 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563508 400978087 /nfs/dbraw/zinc/97/80/87/400978087.db2.gz RDQYXQWEUXJZKG-GIPNMCIBSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563508 400978093 /nfs/dbraw/zinc/97/80/93/400978093.db2.gz RDQYXQWEUXJZKG-GIPNMCIBSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564847 400980023 /nfs/dbraw/zinc/98/00/23/400980023.db2.gz UYMDBKACKBOQIK-VWYCJHECSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564847 400980027 /nfs/dbraw/zinc/98/00/27/400980027.db2.gz UYMDBKACKBOQIK-VWYCJHECSA-N 2 2 322.321 3.485 20 0 DGADLP Oc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000625193742 401054554 /nfs/dbraw/zinc/05/45/54/401054554.db2.gz ZADYYGMWZOBDFO-AWEZNQCLSA-N 2 2 308.853 3.353 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000625193742 401054557 /nfs/dbraw/zinc/05/45/57/401054557.db2.gz ZADYYGMWZOBDFO-AWEZNQCLSA-N 2 2 308.853 3.353 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000248545536 401072211 /nfs/dbraw/zinc/07/22/11/401072211.db2.gz FDKGZANUKCRPFW-WOUAJJJCSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000248545536 401072214 /nfs/dbraw/zinc/07/22/14/401072214.db2.gz FDKGZANUKCRPFW-WOUAJJJCSA-N 2 2 316.489 3.443 20 0 DGADLP Oc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268445 401078501 /nfs/dbraw/zinc/07/85/01/401078501.db2.gz YLQGJBXQTMNEBY-UGSOOPFHSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268445 401078508 /nfs/dbraw/zinc/07/85/08/401078508.db2.gz YLQGJBXQTMNEBY-UGSOOPFHSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000625268445 401078514 /nfs/dbraw/zinc/07/85/14/401078514.db2.gz YLQGJBXQTMNEBY-UGSOOPFHSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000625268445 401078522 /nfs/dbraw/zinc/07/85/22/401078522.db2.gz YLQGJBXQTMNEBY-UGSOOPFHSA-N 2 2 320.864 3.494 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656971 401022347 /nfs/dbraw/zinc/02/23/47/401022347.db2.gz SFPUOVWNLLWFBG-ZIAGYGMSSA-N 2 2 316.367 3.044 20 0 DGADLP CCOc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656971 401022351 /nfs/dbraw/zinc/02/23/51/401022351.db2.gz SFPUOVWNLLWFBG-ZIAGYGMSSA-N 2 2 316.367 3.044 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625140332 401040776 /nfs/dbraw/zinc/04/07/76/401040776.db2.gz IIVFGWMKOBKYQB-CYBMUJFWSA-N 2 2 310.323 3.134 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625140332 401040778 /nfs/dbraw/zinc/04/07/78/401040778.db2.gz IIVFGWMKOBKYQB-CYBMUJFWSA-N 2 2 310.323 3.134 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263757830 401121500 /nfs/dbraw/zinc/12/15/00/401121500.db2.gz XOFHFLLQAWRGCF-UHFFFAOYSA-N 2 2 312.461 3.243 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263757830 401121505 /nfs/dbraw/zinc/12/15/05/401121505.db2.gz XOFHFLLQAWRGCF-UHFFFAOYSA-N 2 2 312.461 3.243 20 0 DGADLP CCCCCOc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OC ZINC000060926990 401139722 /nfs/dbraw/zinc/13/97/22/401139722.db2.gz PZTPEVVWUCLUMS-UHFFFAOYSA-N 2 2 317.433 3.251 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000249627643 401087262 /nfs/dbraw/zinc/08/72/62/401087262.db2.gz UKGYBAZOHDUXTA-IYOUNJFTSA-N 2 2 300.446 3.287 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000249627643 401087269 /nfs/dbraw/zinc/08/72/69/401087269.db2.gz UKGYBAZOHDUXTA-IYOUNJFTSA-N 2 2 300.446 3.287 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000358229383 286004445 /nfs/dbraw/zinc/00/44/45/286004445.db2.gz QKJHRRYNHYTJHM-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(=O)OC(C)(C)C ZINC000594518751 401095790 /nfs/dbraw/zinc/09/57/90/401095790.db2.gz KVIBTUZXVSNRAH-HNNXBMFYSA-N 2 2 317.433 3.038 20 0 DGADLP Clc1ccccc1CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545428 401153514 /nfs/dbraw/zinc/15/35/14/401153514.db2.gz BKMGBTWRXFVXTD-UHFFFAOYSA-N 2 2 322.880 3.069 20 0 DGADLP COC(=O)[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000600214642 401224995 /nfs/dbraw/zinc/22/49/95/401224995.db2.gz IELAQQVFTHUUHH-IBGZPJMESA-N 2 2 324.424 3.095 20 0 DGADLP COC(=O)[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000600214642 401224998 /nfs/dbraw/zinc/22/49/98/401224998.db2.gz IELAQQVFTHUUHH-IBGZPJMESA-N 2 2 324.424 3.095 20 0 DGADLP CCC(CC)(C[NH2+]Cc1c[nH+]c2n1CCC2)C(=O)OC(C)(C)C ZINC000594950425 401204381 /nfs/dbraw/zinc/20/43/81/401204381.db2.gz KVIRKOLMOLRXTP-UHFFFAOYSA-N 2 2 321.465 3.067 20 0 DGADLP COC(=O)[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000600214646 401225531 /nfs/dbraw/zinc/22/55/31/401225531.db2.gz IELAQQVFTHUUHH-LJQANCHMSA-N 2 2 324.424 3.095 20 0 DGADLP COC(=O)[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000600214646 401225537 /nfs/dbraw/zinc/22/55/37/401225537.db2.gz IELAQQVFTHUUHH-LJQANCHMSA-N 2 2 324.424 3.095 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000090721920 401272483 /nfs/dbraw/zinc/27/24/83/401272483.db2.gz BIYQTENVDMMDBA-NVXWUHKLSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000090721920 401272486 /nfs/dbraw/zinc/27/24/86/401272486.db2.gz BIYQTENVDMMDBA-NVXWUHKLSA-N 2 2 313.420 3.363 20 0 DGADLP Fc1cccnc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090721823 401272819 /nfs/dbraw/zinc/27/28/19/401272819.db2.gz IYZBBBMAQAOYRI-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000089555193 401227333 /nfs/dbraw/zinc/22/73/33/401227333.db2.gz RWLLCGMTNLWUCU-AFNJWWOFSA-N 2 2 301.478 3.460 20 0 DGADLP CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000089555193 401227345 /nfs/dbraw/zinc/22/73/45/401227345.db2.gz RWLLCGMTNLWUCU-AFNJWWOFSA-N 2 2 301.478 3.460 20 0 DGADLP CCOc1cncc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000621727888 401286990 /nfs/dbraw/zinc/28/69/90/401286990.db2.gz UTFDVBXSQVXBPQ-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1cncc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000621727888 401286991 /nfs/dbraw/zinc/28/69/91/401286991.db2.gz UTFDVBXSQVXBPQ-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1cncc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000621727888 401286994 /nfs/dbraw/zinc/28/69/94/401286994.db2.gz UTFDVBXSQVXBPQ-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1cncc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000621727888 401286998 /nfs/dbraw/zinc/28/69/98/401286998.db2.gz UTFDVBXSQVXBPQ-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000090046885 401249681 /nfs/dbraw/zinc/24/96/81/401249681.db2.gz QUEPWNNQCBUHFY-CXAGYDPISA-N 2 2 308.853 3.028 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090047865 401251443 /nfs/dbraw/zinc/25/14/43/401251443.db2.gz MGYZRBNTODNYMA-SOLBZPMBSA-N 2 2 302.462 3.244 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000634679808 401331888 /nfs/dbraw/zinc/33/18/88/401331888.db2.gz DLNIDTGXPHUOIM-DLBZAZTESA-N 2 2 313.445 3.251 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000631044293 401376990 /nfs/dbraw/zinc/37/69/90/401376990.db2.gz IZPBCXBMASOTRQ-KGLIPLIRSA-N 2 2 324.852 3.074 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000631044293 401376992 /nfs/dbraw/zinc/37/69/92/401376992.db2.gz IZPBCXBMASOTRQ-KGLIPLIRSA-N 2 2 324.852 3.074 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000631065397 401382130 /nfs/dbraw/zinc/38/21/30/401382130.db2.gz RCANRLLGLRPMGG-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000631065397 401382133 /nfs/dbraw/zinc/38/21/33/401382133.db2.gz RCANRLLGLRPMGG-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP CC1(C)C[NH2+]CC[C@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000635010989 401402197 /nfs/dbraw/zinc/40/21/97/401402197.db2.gz LPTJQBJREOAQGY-JKSUJKDBSA-N 2 2 316.424 3.006 20 0 DGADLP CCC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000631200453 401424333 /nfs/dbraw/zinc/42/43/33/401424333.db2.gz UDYDKIULBFTTKG-MRXNPFEDSA-N 2 2 324.896 3.445 20 0 DGADLP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000635457790 401444161 /nfs/dbraw/zinc/44/41/61/401444161.db2.gz OWCLNTRLZPDREW-CQSZACIVSA-N 2 2 311.385 3.154 20 0 DGADLP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000635457790 401444162 /nfs/dbraw/zinc/44/41/62/401444162.db2.gz OWCLNTRLZPDREW-CQSZACIVSA-N 2 2 311.385 3.154 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000623089203 401462741 /nfs/dbraw/zinc/46/27/41/401462741.db2.gz ZORIPTGZFZQBDD-UHFFFAOYSA-N 2 2 322.399 3.029 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000623089585 401463778 /nfs/dbraw/zinc/46/37/78/401463778.db2.gz NXEUEQLEYRTJAV-UHFFFAOYSA-N 2 2 308.825 3.468 20 0 DGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1OC ZINC000631567277 401500095 /nfs/dbraw/zinc/50/00/95/401500095.db2.gz XLDJYBWSSOITIE-HIFRSBDPSA-N 2 2 303.406 3.030 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCc3ncccc32)c[nH+]1 ZINC000631573199 401502106 /nfs/dbraw/zinc/50/21/06/401502106.db2.gz QCGLIMFOCWOSBX-SFHVURJKSA-N 2 2 304.397 3.435 20 0 DGADLP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)c12 ZINC000623419990 401513300 /nfs/dbraw/zinc/51/33/00/401513300.db2.gz IMIOTHCEGGYPAH-SFHVURJKSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)c12 ZINC000623419990 401513302 /nfs/dbraw/zinc/51/33/02/401513302.db2.gz IMIOTHCEGGYPAH-SFHVURJKSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@@H+]1Cc1ccccc1 ZINC000623445825 401520711 /nfs/dbraw/zinc/52/07/11/401520711.db2.gz GPBIMOFFFZWXGQ-YJBOKZPZSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623445825 401520713 /nfs/dbraw/zinc/52/07/13/401520713.db2.gz GPBIMOFFFZWXGQ-YJBOKZPZSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000631654949 401525499 /nfs/dbraw/zinc/52/54/99/401525499.db2.gz SKTQWOVDBADWSZ-BTPDRXCOSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000631654949 401525502 /nfs/dbraw/zinc/52/55/02/401525502.db2.gz SKTQWOVDBADWSZ-BTPDRXCOSA-N 2 2 320.864 3.242 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000623656301 401563155 /nfs/dbraw/zinc/56/31/55/401563155.db2.gz RSGFICLMWAWZAE-AWEZNQCLSA-N 2 2 316.474 3.027 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000623656301 401563158 /nfs/dbraw/zinc/56/31/58/401563158.db2.gz RSGFICLMWAWZAE-AWEZNQCLSA-N 2 2 316.474 3.027 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccc(C(F)(F)F)c1 ZINC000628279816 401566674 /nfs/dbraw/zinc/56/66/74/401566674.db2.gz AVRUHDKISZTWSM-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccc(C(F)(F)F)c1 ZINC000628279816 401566675 /nfs/dbraw/zinc/56/66/75/401566675.db2.gz AVRUHDKISZTWSM-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000636582186 401582057 /nfs/dbraw/zinc/58/20/57/401582057.db2.gz XJODLALXEKCVBG-SFHVURJKSA-N 2 2 323.440 3.467 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000636582186 401582060 /nfs/dbraw/zinc/58/20/60/401582060.db2.gz XJODLALXEKCVBG-SFHVURJKSA-N 2 2 323.440 3.467 20 0 DGADLP Fc1ccc([C@@H]2CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1F ZINC000628394118 401589100 /nfs/dbraw/zinc/58/91/00/401589100.db2.gz SDBYHUVHYAPNEK-CQSZACIVSA-N 2 2 317.383 3.487 20 0 DGADLP Fc1ccc([C@@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1F ZINC000628394118 401589102 /nfs/dbraw/zinc/58/91/02/401589102.db2.gz SDBYHUVHYAPNEK-CQSZACIVSA-N 2 2 317.383 3.487 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623864807 401589963 /nfs/dbraw/zinc/58/99/63/401589963.db2.gz ZPHCZXYDXYZBMS-RBSFLKMASA-N 2 2 307.507 3.478 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623864806 401590068 /nfs/dbraw/zinc/59/00/68/401590068.db2.gz ZPHCZXYDXYZBMS-QLFBSQMISA-N 2 2 307.507 3.478 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623864806 401590070 /nfs/dbraw/zinc/59/00/70/401590070.db2.gz ZPHCZXYDXYZBMS-QLFBSQMISA-N 2 2 307.507 3.478 20 0 DGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)n1 ZINC000623879704 401593154 /nfs/dbraw/zinc/59/31/54/401593154.db2.gz MTGQQLFXZAJCLF-AWEZNQCLSA-N 2 2 319.474 3.243 20 0 DGADLP Cc1[nH]c(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[nH+]c1C ZINC000628186567 401544920 /nfs/dbraw/zinc/54/49/20/401544920.db2.gz OMYZDNFXZDMETO-OAHLLOKOSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1c[nH]c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190447 401547011 /nfs/dbraw/zinc/54/70/11/401547011.db2.gz GJPCEVRJGBGALX-RTBURBONSA-N 2 2 324.472 3.205 20 0 DGADLP Cc1c[nH]c(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190447 401547012 /nfs/dbraw/zinc/54/70/12/401547012.db2.gz GJPCEVRJGBGALX-RTBURBONSA-N 2 2 324.472 3.205 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000628228968 401554453 /nfs/dbraw/zinc/55/44/53/401554453.db2.gz FYEXFNGFMQYABI-DOMZBBRYSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000628228968 401554455 /nfs/dbraw/zinc/55/44/55/401554455.db2.gz FYEXFNGFMQYABI-DOMZBBRYSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000628228969 401554544 /nfs/dbraw/zinc/55/45/44/401554544.db2.gz FYEXFNGFMQYABI-IUODEOHRSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000628228969 401554548 /nfs/dbraw/zinc/55/45/48/401554548.db2.gz FYEXFNGFMQYABI-IUODEOHRSA-N 2 2 312.379 3.463 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000624121812 401628966 /nfs/dbraw/zinc/62/89/66/401628966.db2.gz DJKLJAXDNVZHBS-FXAWDEMLSA-N 2 2 309.457 3.493 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000624121812 401628967 /nfs/dbraw/zinc/62/89/67/401628967.db2.gz DJKLJAXDNVZHBS-FXAWDEMLSA-N 2 2 309.457 3.493 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624227669 401641820 /nfs/dbraw/zinc/64/18/20/401641820.db2.gz XDLKBPQGSZUAHF-WMLDXEAASA-N 2 2 316.470 3.132 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624227669 401641822 /nfs/dbraw/zinc/64/18/22/401641822.db2.gz XDLKBPQGSZUAHF-WMLDXEAASA-N 2 2 316.470 3.132 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000624256568 401644456 /nfs/dbraw/zinc/64/44/56/401644456.db2.gz ZQHRZWRQXFENNV-INIZCTEOSA-N 2 2 322.518 3.256 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991460 401610010 /nfs/dbraw/zinc/61/00/10/401610010.db2.gz HTQDSNPCJLPDOK-PKOBYXMFSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991460 401610012 /nfs/dbraw/zinc/61/00/12/401610012.db2.gz HTQDSNPCJLPDOK-PKOBYXMFSA-N 2 2 304.478 3.191 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCc4scnc43)cn21 ZINC000624006506 401611630 /nfs/dbraw/zinc/61/16/30/401611630.db2.gz YWUJKVVFHOGROA-CQSZACIVSA-N 2 2 312.442 3.309 20 0 DGADLP C[C@@H](CN1CCCCCC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359094270 286235519 /nfs/dbraw/zinc/23/55/19/286235519.db2.gz WFDGJACPTBFOAC-HNNXBMFYSA-N 2 2 318.490 3.288 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cncc(F)c1 ZINC000359240829 286267453 /nfs/dbraw/zinc/26/74/53/286267453.db2.gz OUYPQKGEVUJUIX-NSHDSACASA-N 2 2 319.346 3.288 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359310516 286280628 /nfs/dbraw/zinc/28/06/28/286280628.db2.gz JTUWKHMXXLPFKA-UXPWSPDFSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000359310516 286280629 /nfs/dbraw/zinc/28/06/29/286280629.db2.gz JTUWKHMXXLPFKA-UXPWSPDFSA-N 2 2 316.489 3.226 20 0 DGADLP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000359335510 286287065 /nfs/dbraw/zinc/28/70/65/286287065.db2.gz DROOPZGVQBRYCX-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000359335513 286287125 /nfs/dbraw/zinc/28/71/25/286287125.db2.gz DROOPZGVQBRYCX-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000422826688 292256259 /nfs/dbraw/zinc/25/62/59/292256259.db2.gz LTAXUSATADOCGH-UFYCRDLUSA-N 2 2 315.505 3.382 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)CCC2 ZINC000359626606 286350030 /nfs/dbraw/zinc/35/00/30/286350030.db2.gz AGIXYJPAXXKOFT-OLZOCXBDSA-N 2 2 304.825 3.468 20 0 DGADLP CCN(C)c1ccc(CNc2ccc(CC[NH+](C)C)cc2)c[nH+]1 ZINC000359683688 286360409 /nfs/dbraw/zinc/36/04/09/286360409.db2.gz WSOYRQREQMGVLD-UHFFFAOYSA-N 2 2 312.461 3.254 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2([NH3+])CCC2)c2ccc(F)cc2)cc1 ZINC000423318282 286375565 /nfs/dbraw/zinc/37/55/65/286375565.db2.gz DLAXGYGNUUMIKP-GOSISDBHSA-N 2 2 314.404 3.395 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H]2CCCC[C@@H]2C)CC1 ZINC000360953319 286561554 /nfs/dbraw/zinc/56/15/54/286561554.db2.gz GWYDFHQOUFJUKT-DLBZAZTESA-N 2 2 324.509 3.210 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC[C@@H]3C[NH+]3CCCCC3)cn2c1 ZINC000341175477 292389720 /nfs/dbraw/zinc/38/97/20/292389720.db2.gz ZZRRFNWYMHJAFE-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000361967052 286752063 /nfs/dbraw/zinc/75/20/63/286752063.db2.gz PLQSWFLJKYHFSR-MELADBBJSA-N 2 2 324.440 3.366 20 0 DGADLP C[N@H+](CC[NH2+]C1CCC2(CCCO2)CC1)Cc1ccccc1 ZINC000364960877 287079880 /nfs/dbraw/zinc/07/98/80/287079880.db2.gz UCOCRWPJDBZAHS-UHFFFAOYSA-N 2 2 302.462 3.200 20 0 DGADLP C[N@@H+](CC[NH2+]C1CCC2(CCCO2)CC1)Cc1ccccc1 ZINC000364960877 287079883 /nfs/dbraw/zinc/07/98/83/287079883.db2.gz UCOCRWPJDBZAHS-UHFFFAOYSA-N 2 2 302.462 3.200 20 0 DGADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2ccon2)CC1 ZINC000185325702 165000657 /nfs/dbraw/zinc/00/06/57/165000657.db2.gz YSNGKGWPOOMIKH-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185637035 165011359 /nfs/dbraw/zinc/01/13/59/165011359.db2.gz KGFGUYXBQZFCBD-QANKJYHBSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185637035 165011360 /nfs/dbraw/zinc/01/13/60/165011360.db2.gz KGFGUYXBQZFCBD-QANKJYHBSA-N 2 2 315.461 3.134 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000189309414 165157783 /nfs/dbraw/zinc/15/77/83/165157783.db2.gz VAEDETPVHQOQIP-DOTOQJQBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000189309414 165157787 /nfs/dbraw/zinc/15/77/87/165157787.db2.gz VAEDETPVHQOQIP-DOTOQJQBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000189309414 165157789 /nfs/dbraw/zinc/15/77/89/165157789.db2.gz VAEDETPVHQOQIP-DOTOQJQBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000189309414 165157791 /nfs/dbraw/zinc/15/77/91/165157791.db2.gz VAEDETPVHQOQIP-DOTOQJQBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC000191589871 165258844 /nfs/dbraw/zinc/25/88/44/165258844.db2.gz GYGNINIEKKHQFA-GFCCVEGCSA-N 2 2 315.255 3.396 20 0 DGADLP Clc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3ccnc3)nc1)C2 ZINC000191613093 165261137 /nfs/dbraw/zinc/26/11/37/165261137.db2.gz GZPVDTGZQVFRGX-UHFFFAOYSA-N 2 2 324.815 3.479 20 0 DGADLP Clc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3ccnc3)nc1)C2 ZINC000191613093 165261138 /nfs/dbraw/zinc/26/11/38/165261138.db2.gz GZPVDTGZQVFRGX-UHFFFAOYSA-N 2 2 324.815 3.479 20 0 DGADLP Clc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000191613093 165261141 /nfs/dbraw/zinc/26/11/41/165261141.db2.gz GZPVDTGZQVFRGX-UHFFFAOYSA-N 2 2 324.815 3.479 20 0 DGADLP Clc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000191613093 165261143 /nfs/dbraw/zinc/26/11/43/165261143.db2.gz GZPVDTGZQVFRGX-UHFFFAOYSA-N 2 2 324.815 3.479 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000192061832 165281531 /nfs/dbraw/zinc/28/15/31/165281531.db2.gz XHVFWUGYIFHXSA-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1F ZINC000192692730 165303050 /nfs/dbraw/zinc/30/30/50/165303050.db2.gz CTMUGCMMSPZLLE-UHFFFAOYSA-N 2 2 306.425 3.331 20 0 DGADLP C[NH+](C)[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000195479505 165372457 /nfs/dbraw/zinc/37/24/57/165372457.db2.gz SXPDPPCHGAXRKK-SFHVURJKSA-N 2 2 320.396 3.114 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000365625914 287155255 /nfs/dbraw/zinc/15/52/55/287155255.db2.gz IONCZPYANQEOQQ-HNNXBMFYSA-N 2 2 313.449 3.111 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000365625914 287155257 /nfs/dbraw/zinc/15/52/57/287155257.db2.gz IONCZPYANQEOQQ-HNNXBMFYSA-N 2 2 313.449 3.111 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365621403 287154651 /nfs/dbraw/zinc/15/46/51/287154651.db2.gz DMLCMLINSKDRKD-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365621403 287154653 /nfs/dbraw/zinc/15/46/53/287154653.db2.gz DMLCMLINSKDRKD-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632318 287156211 /nfs/dbraw/zinc/15/62/11/287156211.db2.gz BRDHMLAWXREIST-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632318 287156214 /nfs/dbraw/zinc/15/62/14/287156214.db2.gz BRDHMLAWXREIST-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000136671113 432160546 /nfs/dbraw/zinc/16/05/46/432160546.db2.gz DZIMNZSVFNYLPP-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136671113 432160553 /nfs/dbraw/zinc/16/05/53/432160553.db2.gz DZIMNZSVFNYLPP-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000136291217 432153133 /nfs/dbraw/zinc/15/31/33/432153133.db2.gz SOYXBHKSYVQJJG-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000136291217 432153137 /nfs/dbraw/zinc/15/31/37/432153137.db2.gz SOYXBHKSYVQJJG-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246684644 432154290 /nfs/dbraw/zinc/15/42/90/432154290.db2.gz VUKWCDUZLIHWPK-HOTGVXAUSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246684644 432154294 /nfs/dbraw/zinc/15/42/94/432154294.db2.gz VUKWCDUZLIHWPK-HOTGVXAUSA-N 2 2 322.880 3.445 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@@H](C)C1 ZINC000246851385 432171594 /nfs/dbraw/zinc/17/15/94/432171594.db2.gz FAGNUHIPZCZXTO-JSGCOSHPSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@@H](C)C1 ZINC000246851385 432171598 /nfs/dbraw/zinc/17/15/98/432171598.db2.gz FAGNUHIPZCZXTO-JSGCOSHPSA-N 2 2 305.447 3.223 20 0 DGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000137611024 432179241 /nfs/dbraw/zinc/17/92/41/432179241.db2.gz VCOSCCIBNXBLLV-IBGZPJMESA-N 2 2 316.489 3.007 20 0 DGADLP CC(C)c1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000137611024 432179245 /nfs/dbraw/zinc/17/92/45/432179245.db2.gz VCOSCCIBNXBLLV-IBGZPJMESA-N 2 2 316.489 3.007 20 0 DGADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000182355708 432182050 /nfs/dbraw/zinc/18/20/50/432182050.db2.gz HBWIXWZUSVOQCE-QGZVFWFLSA-N 2 2 300.446 3.067 20 0 DGADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000182355708 432182053 /nfs/dbraw/zinc/18/20/53/432182053.db2.gz HBWIXWZUSVOQCE-QGZVFWFLSA-N 2 2 300.446 3.067 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269617386 432188125 /nfs/dbraw/zinc/18/81/25/432188125.db2.gz CYOWADSIKZGYOM-KRWDZBQOSA-N 2 2 324.428 3.422 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000269617386 432188128 /nfs/dbraw/zinc/18/81/28/432188128.db2.gz CYOWADSIKZGYOM-KRWDZBQOSA-N 2 2 324.428 3.422 20 0 DGADLP COc1cccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129836532 196079355 /nfs/dbraw/zinc/07/93/55/196079355.db2.gz RUMHCWWVQIUBKW-APWZRJJASA-N 2 2 313.445 3.407 20 0 DGADLP COc1cccc(CCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129836532 196079357 /nfs/dbraw/zinc/07/93/57/196079357.db2.gz RUMHCWWVQIUBKW-APWZRJJASA-N 2 2 313.445 3.407 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000150913400 432202041 /nfs/dbraw/zinc/20/20/41/432202041.db2.gz WHYNRSSOJRZPLZ-GDBMZVCRSA-N 2 2 308.491 3.290 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000247094552 432202194 /nfs/dbraw/zinc/20/21/94/432202194.db2.gz PPOXCVBSUWFWKV-MAUKXSAKSA-N 2 2 317.477 3.223 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000247094552 432202199 /nfs/dbraw/zinc/20/21/99/432202199.db2.gz PPOXCVBSUWFWKV-MAUKXSAKSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000247204474 432211724 /nfs/dbraw/zinc/21/17/24/432211724.db2.gz WMOAAYAPROPMFZ-HZPDHXFCSA-N 2 2 314.429 3.351 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000247204474 432211727 /nfs/dbraw/zinc/21/17/27/432211727.db2.gz WMOAAYAPROPMFZ-HZPDHXFCSA-N 2 2 314.429 3.351 20 0 DGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000269858266 432214179 /nfs/dbraw/zinc/21/41/79/432214179.db2.gz HZHJJNHMDHPMQP-INIZCTEOSA-N 2 2 313.351 3.432 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000247125114 432203728 /nfs/dbraw/zinc/20/37/28/432203728.db2.gz UYYJIBIUNAESQS-MRRJBJDNSA-N 2 2 304.409 3.254 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000247125114 432203731 /nfs/dbraw/zinc/20/37/31/432203731.db2.gz UYYJIBIUNAESQS-MRRJBJDNSA-N 2 2 304.409 3.254 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190956737 432205767 /nfs/dbraw/zinc/20/57/67/432205767.db2.gz XVOHBXIVOIDTLT-QGZVFWFLSA-N 2 2 312.461 3.082 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190956737 432205771 /nfs/dbraw/zinc/20/57/71/432205771.db2.gz XVOHBXIVOIDTLT-QGZVFWFLSA-N 2 2 312.461 3.082 20 0 DGADLP C[C@@H](CC[NH2+]Cc1c(Cl)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000131939545 196211861 /nfs/dbraw/zinc/21/18/61/196211861.db2.gz UJHDEYKFFAHRPN-AWEZNQCLSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@@H](CC[NH2+]Cc1c(Cl)cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000131939545 196211862 /nfs/dbraw/zinc/21/18/62/196211862.db2.gz UJHDEYKFFAHRPN-AWEZNQCLSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@@H+]1C ZINC000132306681 196244047 /nfs/dbraw/zinc/24/40/47/196244047.db2.gz OOGIRNFBNIXMKO-DOTOQJQBSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@H+]1C ZINC000132306681 196244049 /nfs/dbraw/zinc/24/40/49/196244049.db2.gz OOGIRNFBNIXMKO-DOTOQJQBSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000422715665 298883220 /nfs/dbraw/zinc/88/32/20/298883220.db2.gz SNNVRSGHYXOSKR-MDNKFWRPSA-N 2 2 316.489 3.145 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000134068014 196358084 /nfs/dbraw/zinc/35/80/84/196358084.db2.gz BGDSMRZGTREMAN-RTBURBONSA-N 2 2 312.461 3.298 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000295809518 225265562 /nfs/dbraw/zinc/26/55/62/225265562.db2.gz CQWUEVGDZCFBJS-INIZCTEOSA-N 2 2 300.450 3.076 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000295809518 225265564 /nfs/dbraw/zinc/26/55/64/225265564.db2.gz CQWUEVGDZCFBJS-INIZCTEOSA-N 2 2 300.450 3.076 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000295866288 225328751 /nfs/dbraw/zinc/32/87/51/225328751.db2.gz XCEUIXFNPDJCBK-OALUTQOASA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000295866288 225328755 /nfs/dbraw/zinc/32/87/55/225328755.db2.gz XCEUIXFNPDJCBK-OALUTQOASA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636477 226073000 /nfs/dbraw/zinc/07/30/00/226073000.db2.gz BTNUFORLZKCFSZ-FUHWJXTLSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636477 226073002 /nfs/dbraw/zinc/07/30/02/226073002.db2.gz BTNUFORLZKCFSZ-FUHWJXTLSA-N 2 2 312.457 3.337 20 0 DGADLP OCCCCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000291264415 222269417 /nfs/dbraw/zinc/26/94/17/222269417.db2.gz XFWUCZWJQGBAMC-UHFFFAOYSA-N 2 2 324.896 3.447 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCO[C@@H]3CC(C)C)c[nH+]c12 ZINC000185199340 263629843 /nfs/dbraw/zinc/62/98/43/263629843.db2.gz QJBCZEALLRRMQB-IAGOWNOFSA-N 2 2 301.434 3.326 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000193946024 263804293 /nfs/dbraw/zinc/80/42/93/263804293.db2.gz HNHITMCAKAJFAE-FCGDIQPGSA-N 2 2 314.473 3.227 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000346312134 264006620 /nfs/dbraw/zinc/00/66/20/264006620.db2.gz OLFHMZBBCFGMAP-UHFFFAOYSA-N 2 2 301.409 3.285 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447092 264034007 /nfs/dbraw/zinc/03/40/07/264034007.db2.gz ANTNCOYBUFIEBJ-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447092 264034008 /nfs/dbraw/zinc/03/40/08/264034008.db2.gz ANTNCOYBUFIEBJ-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462163 264036349 /nfs/dbraw/zinc/03/63/49/264036349.db2.gz OBDPAQYVKWCIHC-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462163 264036351 /nfs/dbraw/zinc/03/63/51/264036351.db2.gz OBDPAQYVKWCIHC-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000346648323 264073164 /nfs/dbraw/zinc/07/31/64/264073164.db2.gz DJHYKUNFQDYMQJ-GJZGRUSLSA-N 2 2 321.428 3.057 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000346648323 264073165 /nfs/dbraw/zinc/07/31/65/264073165.db2.gz DJHYKUNFQDYMQJ-GJZGRUSLSA-N 2 2 321.428 3.057 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346693893 264081516 /nfs/dbraw/zinc/08/15/16/264081516.db2.gz QKPOBHSNMFCPFS-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346693893 264081518 /nfs/dbraw/zinc/08/15/18/264081518.db2.gz QKPOBHSNMFCPFS-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP COc1ccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000346740655 264089276 /nfs/dbraw/zinc/08/92/76/264089276.db2.gz OTTREWOEVKKORD-UHFFFAOYSA-N 2 2 323.440 3.338 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820263 264103049 /nfs/dbraw/zinc/10/30/49/264103049.db2.gz HGGBDSLQXNRFGU-KDOFPFPSSA-N 2 2 313.445 3.087 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000346820263 264103051 /nfs/dbraw/zinc/10/30/51/264103051.db2.gz HGGBDSLQXNRFGU-KDOFPFPSSA-N 2 2 313.445 3.087 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000346825947 264104407 /nfs/dbraw/zinc/10/44/07/264104407.db2.gz HCTIMCWQYJGKBT-NURSFMCSSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000346825947 264104410 /nfs/dbraw/zinc/10/44/10/264104410.db2.gz HCTIMCWQYJGKBT-NURSFMCSSA-N 2 2 315.244 3.171 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)cs2)[C@H](C[NH3+])C1 ZINC000346826692 264104818 /nfs/dbraw/zinc/10/48/18/264104818.db2.gz MBKHIHWFHINVCQ-DLBZAZTESA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)[C@H](C[NH3+])C1 ZINC000346826692 264104819 /nfs/dbraw/zinc/10/48/19/264104819.db2.gz MBKHIHWFHINVCQ-DLBZAZTESA-N 2 2 316.470 3.353 20 0 DGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346853506 264108966 /nfs/dbraw/zinc/10/89/66/264108966.db2.gz SSRXPXHNXVLRME-IEBWSBKVSA-N 2 2 320.477 3.194 20 0 DGADLP CCCCCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346853506 264108967 /nfs/dbraw/zinc/10/89/67/264108967.db2.gz SSRXPXHNXVLRME-IEBWSBKVSA-N 2 2 320.477 3.194 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CCCC1 ZINC000346948782 264125864 /nfs/dbraw/zinc/12/58/64/264125864.db2.gz ABRIKWPFJHLDHG-RHSMWYFYSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@@H]1C[NH3+] ZINC000347002252 264137205 /nfs/dbraw/zinc/13/72/05/264137205.db2.gz ILSCGUKLFWYAMJ-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@@H]1C[NH3+] ZINC000347002252 264137208 /nfs/dbraw/zinc/13/72/08/264137208.db2.gz ILSCGUKLFWYAMJ-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000347004006 264137750 /nfs/dbraw/zinc/13/77/50/264137750.db2.gz MLXYCLGKZGBQHT-ZDUSSCGKSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000347004006 264137753 /nfs/dbraw/zinc/13/77/53/264137753.db2.gz MLXYCLGKZGBQHT-ZDUSSCGKSA-N 2 2 305.447 3.143 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347014869 264139954 /nfs/dbraw/zinc/13/99/54/264139954.db2.gz AFTYTIMYTXKOTH-HUUCEWRRSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347014869 264139955 /nfs/dbraw/zinc/13/99/55/264139955.db2.gz AFTYTIMYTXKOTH-HUUCEWRRSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347014870 264140099 /nfs/dbraw/zinc/14/00/99/264140099.db2.gz AFTYTIMYTXKOTH-LSDHHAIUSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347014870 264140102 /nfs/dbraw/zinc/14/01/02/264140102.db2.gz AFTYTIMYTXKOTH-LSDHHAIUSA-N 2 2 300.450 3.006 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OC(C)C ZINC000347014196 264140249 /nfs/dbraw/zinc/14/02/49/264140249.db2.gz IHEAHGFNHDDLLU-HOCLYGCPSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OC(C)C ZINC000347014196 264140250 /nfs/dbraw/zinc/14/02/50/264140250.db2.gz IHEAHGFNHDDLLU-HOCLYGCPSA-N 2 2 306.450 3.184 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OCC ZINC000347054452 264148896 /nfs/dbraw/zinc/14/88/96/264148896.db2.gz SVDXPIJRRPCFNV-GDBMZVCRSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OCC ZINC000347054452 264148898 /nfs/dbraw/zinc/14/88/98/264148898.db2.gz SVDXPIJRRPCFNV-GDBMZVCRSA-N 2 2 306.450 3.186 20 0 DGADLP CCC[N@H+](Cc1nc2ccc(Cl)cc2n1C)C1CC[NH2+]CC1 ZINC000347059458 264149195 /nfs/dbraw/zinc/14/91/95/264149195.db2.gz XCDPEUSGQXQFFL-UHFFFAOYSA-N 2 2 320.868 3.191 20 0 DGADLP CCC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)C1CC[NH2+]CC1 ZINC000347059458 264149197 /nfs/dbraw/zinc/14/91/97/264149197.db2.gz XCDPEUSGQXQFFL-UHFFFAOYSA-N 2 2 320.868 3.191 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063350 264149792 /nfs/dbraw/zinc/14/97/92/264149792.db2.gz JFJKHKUBGFQKDD-VNHYZAJKSA-N 2 2 315.383 3.080 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063350 264149794 /nfs/dbraw/zinc/14/97/94/264149794.db2.gz JFJKHKUBGFQKDD-VNHYZAJKSA-N 2 2 315.383 3.080 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063335 264150343 /nfs/dbraw/zinc/15/03/43/264150343.db2.gz JFJKHKUBGFQKDD-NFAWXSAZSA-N 2 2 315.383 3.080 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063335 264150345 /nfs/dbraw/zinc/15/03/45/264150345.db2.gz JFJKHKUBGFQKDD-NFAWXSAZSA-N 2 2 315.383 3.080 20 0 DGADLP Cn1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2ccccc2)n1 ZINC000347091491 264155075 /nfs/dbraw/zinc/15/50/75/264155075.db2.gz FXPWAEIRCKKCNJ-UHFFFAOYSA-N 2 2 324.472 3.051 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1OCC(C)C ZINC000347098921 264156623 /nfs/dbraw/zinc/15/66/23/264156623.db2.gz IXRVOWRJBGOITJ-INIZCTEOSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1OCC(C)C ZINC000347098921 264156626 /nfs/dbraw/zinc/15/66/26/264156626.db2.gz IXRVOWRJBGOITJ-INIZCTEOSA-N 2 2 306.450 3.043 20 0 DGADLP COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(C)C ZINC000347114082 264159137 /nfs/dbraw/zinc/15/91/37/264159137.db2.gz RYLYTPURMZDJBK-SJPCQFCGSA-N 2 2 318.461 3.197 20 0 DGADLP COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(C)C ZINC000347114082 264159138 /nfs/dbraw/zinc/15/91/38/264159138.db2.gz RYLYTPURMZDJBK-SJPCQFCGSA-N 2 2 318.461 3.197 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000347123255 264161027 /nfs/dbraw/zinc/16/10/27/264161027.db2.gz WZPCVZCZQYTTNQ-UHFFFAOYSA-N 2 2 324.472 3.349 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347127227 264161457 /nfs/dbraw/zinc/16/14/57/264161457.db2.gz YTLDUZOTGSQLAX-UHFFFAOYSA-N 2 2 318.509 3.219 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347168259 264168568 /nfs/dbraw/zinc/16/85/68/264168568.db2.gz LWNYQSNFDIIZOR-OAHLLOKOSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347168259 264168570 /nfs/dbraw/zinc/16/85/70/264168570.db2.gz LWNYQSNFDIIZOR-OAHLLOKOSA-N 2 2 309.251 3.084 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)s1 ZINC000347666975 264262907 /nfs/dbraw/zinc/26/29/07/264262907.db2.gz GUSHSISWZKOYOO-INIZCTEOSA-N 2 2 315.486 3.412 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2Cc2ccccc2)s1 ZINC000347666975 264262909 /nfs/dbraw/zinc/26/29/09/264262909.db2.gz GUSHSISWZKOYOO-INIZCTEOSA-N 2 2 315.486 3.412 20 0 DGADLP Cc1cc2cc(C[NH2+][C@H](C)CC[NH+]3CCOCC3)oc2cc1C ZINC000347777298 264282788 /nfs/dbraw/zinc/28/27/88/264282788.db2.gz MDXSSLRMBUNYOE-MRXNPFEDSA-N 2 2 316.445 3.250 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000347846966 264294305 /nfs/dbraw/zinc/29/43/05/264294305.db2.gz KMKBQQFDNHHERS-GFCCVEGCSA-N 2 2 322.503 3.041 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000347846966 264294308 /nfs/dbraw/zinc/29/43/08/264294308.db2.gz KMKBQQFDNHHERS-GFCCVEGCSA-N 2 2 322.503 3.041 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)s1 ZINC000347868975 264298985 /nfs/dbraw/zinc/29/89/85/264298985.db2.gz DTOWFZIHLMCUPI-KBPBESRZSA-N 2 2 311.520 3.065 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)s1 ZINC000347868975 264298987 /nfs/dbraw/zinc/29/89/87/264298987.db2.gz DTOWFZIHLMCUPI-KBPBESRZSA-N 2 2 311.520 3.065 20 0 DGADLP CCS[C@H]1CC[C@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910598 264303814 /nfs/dbraw/zinc/30/38/14/264303814.db2.gz AUQGSNOPSAVCQY-STQMWFEESA-N 2 2 313.536 3.311 20 0 DGADLP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910598 264303815 /nfs/dbraw/zinc/30/38/15/264303815.db2.gz AUQGSNOPSAVCQY-STQMWFEESA-N 2 2 313.536 3.311 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000347929392 264308442 /nfs/dbraw/zinc/30/84/42/264308442.db2.gz WSFQSXVFENPNPN-QGZVFWFLSA-N 2 2 309.457 3.363 20 0 DGADLP Cc1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc(C)c1O ZINC000347951888 264312305 /nfs/dbraw/zinc/31/23/05/264312305.db2.gz JGEBHSIRKXHGND-UHFFFAOYSA-N 2 2 307.397 3.485 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000347953245 264313888 /nfs/dbraw/zinc/31/38/88/264313888.db2.gz FUEFBSSUIFIUFX-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP COc1ccc(COCC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348134044 264349178 /nfs/dbraw/zinc/34/91/78/264349178.db2.gz DFTDARWXEZJGSX-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138673 264350130 /nfs/dbraw/zinc/35/01/30/264350130.db2.gz AXCXCLJUGQSVLH-MRXNPFEDSA-N 2 2 318.436 3.062 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138673 264350131 /nfs/dbraw/zinc/35/01/31/264350131.db2.gz AXCXCLJUGQSVLH-MRXNPFEDSA-N 2 2 318.436 3.062 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138673 264350132 /nfs/dbraw/zinc/35/01/32/264350132.db2.gz AXCXCLJUGQSVLH-MRXNPFEDSA-N 2 2 318.436 3.062 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138673 264350133 /nfs/dbraw/zinc/35/01/33/264350133.db2.gz AXCXCLJUGQSVLH-MRXNPFEDSA-N 2 2 318.436 3.062 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000348184080 264359218 /nfs/dbraw/zinc/35/92/18/264359218.db2.gz FMCGYOSIBXYKAS-WMLDXEAASA-N 3 2 321.428 3.043 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000348184450 264359439 /nfs/dbraw/zinc/35/94/39/264359439.db2.gz GJTLWETULXAYDF-RISCZKNCSA-N 2 2 320.234 3.311 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348219809 264367600 /nfs/dbraw/zinc/36/76/00/264367600.db2.gz DSFAWTCNGWHYCE-BPQIPLTHSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348219809 264367603 /nfs/dbraw/zinc/36/76/03/264367603.db2.gz DSFAWTCNGWHYCE-BPQIPLTHSA-N 2 2 304.503 3.240 20 0 DGADLP CCc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000348254841 264375535 /nfs/dbraw/zinc/37/55/35/264375535.db2.gz GEVPTPSDWNAJDK-VQIMIIECSA-N 2 2 313.445 3.407 20 0 DGADLP CCc1cccc(OCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000348254841 264375537 /nfs/dbraw/zinc/37/55/37/264375537.db2.gz GEVPTPSDWNAJDK-VQIMIIECSA-N 2 2 313.445 3.407 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348285807 264382589 /nfs/dbraw/zinc/38/25/89/264382589.db2.gz WYBBKOSCEXEVND-QYZOEREBSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348285807 264382592 /nfs/dbraw/zinc/38/25/92/264382592.db2.gz WYBBKOSCEXEVND-QYZOEREBSA-N 2 2 302.462 3.056 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000348302057 264385722 /nfs/dbraw/zinc/38/57/22/264385722.db2.gz LILWQLGNNJLKNP-JKSUJKDBSA-N 2 2 321.513 3.023 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCO[C@H]2C)[NH+](C)C)cc1 ZINC000348683905 264437984 /nfs/dbraw/zinc/43/79/84/264437984.db2.gz AZMXAZNAEKQADP-IPELMVKDSA-N 2 2 304.478 3.255 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853535 264835255 /nfs/dbraw/zinc/83/52/55/264835255.db2.gz ORLAKGFBYOQQRK-DMDPSCGWSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853535 264835258 /nfs/dbraw/zinc/83/52/58/264835258.db2.gz ORLAKGFBYOQQRK-DMDPSCGWSA-N 2 2 320.824 3.120 20 0 DGADLP CCc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CC[NH3+])n2)cc1 ZINC000352475697 265062660 /nfs/dbraw/zinc/06/26/60/265062660.db2.gz DZBPEDFNXUMDRY-INIZCTEOSA-N 2 2 314.433 3.002 20 0 DGADLP CCc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CC[NH3+])n2)cc1 ZINC000352475697 265062662 /nfs/dbraw/zinc/06/26/62/265062662.db2.gz DZBPEDFNXUMDRY-INIZCTEOSA-N 2 2 314.433 3.002 20 0 DGADLP C[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)C[NH+]1CCOCC1 ZINC000352604481 265101040 /nfs/dbraw/zinc/10/10/40/265101040.db2.gz YAUDDYZLALRKRS-FHERZECASA-N 2 2 322.880 3.144 20 0 DGADLP CC[C@](C)([NH2+]Cc1ncc(C[NH+](C)C)s1)c1nc(C)cs1 ZINC000352786768 265165960 /nfs/dbraw/zinc/16/59/60/265165960.db2.gz JIBIBNDDQZDAJW-HNNXBMFYSA-N 2 2 324.519 3.385 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352809386 265175323 /nfs/dbraw/zinc/17/53/23/265175323.db2.gz HNTBEQCOTUBWSF-KNTRFNDTSA-N 2 2 314.473 3.287 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352809386 265175326 /nfs/dbraw/zinc/17/53/26/265175326.db2.gz HNTBEQCOTUBWSF-KNTRFNDTSA-N 2 2 314.473 3.287 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000352809388 265175675 /nfs/dbraw/zinc/17/56/75/265175675.db2.gz HNTBEQCOTUBWSF-NMLACTOBSA-N 2 2 314.473 3.287 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000352809388 265175678 /nfs/dbraw/zinc/17/56/78/265175678.db2.gz HNTBEQCOTUBWSF-NMLACTOBSA-N 2 2 314.473 3.287 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812084 265176569 /nfs/dbraw/zinc/17/65/69/265176569.db2.gz YOHUJEGKGWKSFF-ZRGWGRIASA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812084 265176573 /nfs/dbraw/zinc/17/65/73/265176573.db2.gz YOHUJEGKGWKSFF-ZRGWGRIASA-N 2 2 310.445 3.006 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000352826180 265184448 /nfs/dbraw/zinc/18/44/48/265184448.db2.gz AVMHLPORKBHIIC-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000352826180 265184449 /nfs/dbraw/zinc/18/44/49/265184449.db2.gz AVMHLPORKBHIIC-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000352826180 265184451 /nfs/dbraw/zinc/18/44/51/265184451.db2.gz AVMHLPORKBHIIC-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000352826180 265184453 /nfs/dbraw/zinc/18/44/53/265184453.db2.gz AVMHLPORKBHIIC-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000352927177 265233552 /nfs/dbraw/zinc/23/35/52/265233552.db2.gz ZVEHHPMSRMRWHJ-NVXWUHKLSA-N 2 2 318.461 3.001 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000352927177 265233556 /nfs/dbraw/zinc/23/35/56/265233556.db2.gz ZVEHHPMSRMRWHJ-NVXWUHKLSA-N 2 2 318.461 3.001 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930469 265235211 /nfs/dbraw/zinc/23/52/11/265235211.db2.gz KRLIATBIOZVDAP-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930469 265235215 /nfs/dbraw/zinc/23/52/15/265235215.db2.gz KRLIATBIOZVDAP-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930469 265235217 /nfs/dbraw/zinc/23/52/17/265235217.db2.gz KRLIATBIOZVDAP-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]2C1 ZINC000352930469 265235220 /nfs/dbraw/zinc/23/52/20/265235220.db2.gz KRLIATBIOZVDAP-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000352962558 265247762 /nfs/dbraw/zinc/24/77/62/265247762.db2.gz CXUPMALHFOMCPJ-DQYPLSBCSA-N 2 2 304.409 3.112 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001995 265260071 /nfs/dbraw/zinc/26/00/71/265260071.db2.gz RTILNTPWGMFQBM-FUHWJXTLSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001995 265260073 /nfs/dbraw/zinc/26/00/73/265260073.db2.gz RTILNTPWGMFQBM-FUHWJXTLSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001995 265260076 /nfs/dbraw/zinc/26/00/76/265260076.db2.gz RTILNTPWGMFQBM-FUHWJXTLSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)[C@@H]2C1 ZINC000353001995 265260080 /nfs/dbraw/zinc/26/00/80/265260080.db2.gz RTILNTPWGMFQBM-FUHWJXTLSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007540 265264302 /nfs/dbraw/zinc/26/43/02/265264302.db2.gz VEMSXRVSNIWLLS-IUODEOHRSA-N 2 2 319.499 3.398 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007540 265264308 /nfs/dbraw/zinc/26/43/08/265264308.db2.gz VEMSXRVSNIWLLS-IUODEOHRSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007540 265264311 /nfs/dbraw/zinc/26/43/11/265264311.db2.gz VEMSXRVSNIWLLS-IUODEOHRSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007540 265264317 /nfs/dbraw/zinc/26/43/17/265264317.db2.gz VEMSXRVSNIWLLS-IUODEOHRSA-N 2 2 319.499 3.398 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042287 265278206 /nfs/dbraw/zinc/27/82/06/265278206.db2.gz ZUOYCAYIMIOZGE-UKBAYJJMSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042287 265278210 /nfs/dbraw/zinc/27/82/10/265278210.db2.gz ZUOYCAYIMIOZGE-UKBAYJJMSA-N 2 2 302.462 3.084 20 0 DGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000353399810 265417121 /nfs/dbraw/zinc/41/71/21/265417121.db2.gz DIEAGPFKNJIKJO-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000353453147 265434347 /nfs/dbraw/zinc/43/43/47/265434347.db2.gz DGKZAGDPCMQBAU-QGZVFWFLSA-N 2 2 304.482 3.495 20 0 DGADLP CN(C)c1cccnc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000353614495 265487083 /nfs/dbraw/zinc/48/70/83/265487083.db2.gz XMMCWLGINIWRBN-UHFFFAOYSA-N 2 2 316.493 3.034 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCc2nc3ccccc3n2C)c[nH+]1 ZINC000354586911 265817232 /nfs/dbraw/zinc/81/72/32/265817232.db2.gz RJFFLCBPMMOCEG-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP CCCCNc1cc(C)[nH+]c(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000631098445 424829530 /nfs/dbraw/zinc/82/95/30/424829530.db2.gz AGBVUSFIDRFJNM-OAHLLOKOSA-N 2 2 314.437 3.035 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000355358714 266050504 /nfs/dbraw/zinc/05/05/04/266050504.db2.gz AINIMROGIDYJOV-SJLPKXTDSA-N 2 2 319.493 3.127 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000355358714 266050505 /nfs/dbraw/zinc/05/05/05/266050505.db2.gz AINIMROGIDYJOV-SJLPKXTDSA-N 2 2 319.493 3.127 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1C ZINC000355362375 266051723 /nfs/dbraw/zinc/05/17/23/266051723.db2.gz GHKQXAHGOACVCB-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1csc(Cl)c1)C[NH+]1CCOCC1 ZINC000191299708 432247221 /nfs/dbraw/zinc/24/72/21/432247221.db2.gz FWKPWCIQODJNHL-RYUDHWBXSA-N 2 2 302.871 3.020 20 0 DGADLP CC(C)c1cc(NCc2c[nH+]c(N(C)C)n2C)nc(C(C)C)[nH+]1 ZINC000270484367 432250535 /nfs/dbraw/zinc/25/05/35/432250535.db2.gz IZZDIUWZUOIRNG-UHFFFAOYSA-N 2 2 316.453 3.135 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)[C@H]1CCCCO1 ZINC000359864841 271002741 /nfs/dbraw/zinc/00/27/41/271002741.db2.gz DGKCBRIKRFGXEP-DNVCBOLYSA-N 2 2 320.452 3.337 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367618433 271052852 /nfs/dbraw/zinc/05/28/52/271052852.db2.gz SGWINCQRFQGPDO-ZACQAIPSSA-N 2 2 304.482 3.494 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000367696390 271065801 /nfs/dbraw/zinc/06/58/01/271065801.db2.gz AFEHBCGKFNSENA-GFCCVEGCSA-N 2 2 304.463 3.164 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000367696390 271065808 /nfs/dbraw/zinc/06/58/08/271065808.db2.gz AFEHBCGKFNSENA-GFCCVEGCSA-N 2 2 304.463 3.164 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367703287 271066998 /nfs/dbraw/zinc/06/69/98/271066998.db2.gz IQMSJLLIQQOYRY-SJPCQFCGSA-N 2 2 318.509 3.312 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367703287 271067001 /nfs/dbraw/zinc/06/70/01/271067001.db2.gz IQMSJLLIQQOYRY-SJPCQFCGSA-N 2 2 318.509 3.312 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367703287 271067004 /nfs/dbraw/zinc/06/70/04/271067004.db2.gz IQMSJLLIQQOYRY-SJPCQFCGSA-N 2 2 318.509 3.312 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367703287 271067006 /nfs/dbraw/zinc/06/70/06/271067006.db2.gz IQMSJLLIQQOYRY-SJPCQFCGSA-N 2 2 318.509 3.312 20 0 DGADLP Cc1ccc(N2CC[C@@H]([NH2+]CCCc3c[nH+]ccc3C)C2=O)cc1 ZINC000368020493 271115479 /nfs/dbraw/zinc/11/54/79/271115479.db2.gz VXAJGNGJESCWDE-LJQANCHMSA-N 2 2 323.440 3.026 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(Cl)nc1Cl)CC2 ZINC000368481244 271163034 /nfs/dbraw/zinc/16/30/34/271163034.db2.gz FKJWDXNLDVCKER-UHFFFAOYSA-N 2 2 314.260 3.449 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(Cl)nc1Cl)CC2 ZINC000368481244 271163038 /nfs/dbraw/zinc/16/30/38/271163038.db2.gz FKJWDXNLDVCKER-UHFFFAOYSA-N 2 2 314.260 3.449 20 0 DGADLP Fc1ccc(C=C2CC[NH+](CCn3cc[nH+]c3)CC2)cc1F ZINC000369566708 271294424 /nfs/dbraw/zinc/29/44/24/271294424.db2.gz QDAMMXUOWKFQHC-UHFFFAOYSA-N 2 2 303.356 3.341 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000247943331 432254122 /nfs/dbraw/zinc/25/41/22/432254122.db2.gz DEJOXYCBAZYJQV-KONPQCLYSA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000247943331 432254125 /nfs/dbraw/zinc/25/41/25/432254125.db2.gz DEJOXYCBAZYJQV-KONPQCLYSA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000247943331 432254130 /nfs/dbraw/zinc/25/41/30/432254130.db2.gz DEJOXYCBAZYJQV-KONPQCLYSA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000247943331 432254131 /nfs/dbraw/zinc/25/41/31/432254131.db2.gz DEJOXYCBAZYJQV-KONPQCLYSA-N 3 2 321.534 3.203 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542810 432256129 /nfs/dbraw/zinc/25/61/29/432256129.db2.gz XXOLYVGLGCKGPH-UWJYYQICSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542810 432256134 /nfs/dbraw/zinc/25/61/34/432256134.db2.gz XXOLYVGLGCKGPH-UWJYYQICSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nccn1C ZINC000183084373 432256519 /nfs/dbraw/zinc/25/65/19/432256519.db2.gz BSBLFQLSYIOBSF-SOLBZPMBSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nccn1C ZINC000183084373 432256524 /nfs/dbraw/zinc/25/65/24/432256524.db2.gz BSBLFQLSYIOBSF-SOLBZPMBSA-N 2 2 312.461 3.124 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423250278 273685491 /nfs/dbraw/zinc/68/54/91/273685491.db2.gz UCPZZMUEDACZGT-CYBMUJFWSA-N 2 2 317.658 3.289 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000272200362 273808506 /nfs/dbraw/zinc/80/85/06/273808506.db2.gz IXBDGECLKOKNLX-IEBWSBKVSA-N 2 2 322.456 3.321 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000340173864 274094922 /nfs/dbraw/zinc/09/49/22/274094922.db2.gz PKUVVENHXAFSBC-ZWKOTPCHSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000340173864 274094923 /nfs/dbraw/zinc/09/49/23/274094923.db2.gz PKUVVENHXAFSBC-ZWKOTPCHSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423530591 274138280 /nfs/dbraw/zinc/13/82/80/274138280.db2.gz PTMXVIKFZNZQAH-PWRODBHTSA-N 2 2 322.452 3.418 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000289238893 274140950 /nfs/dbraw/zinc/14/09/50/274140950.db2.gz MPWRXTBTTYGKPK-JYJNAYRXSA-N 2 2 304.409 3.038 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000289238893 274140952 /nfs/dbraw/zinc/14/09/52/274140952.db2.gz MPWRXTBTTYGKPK-JYJNAYRXSA-N 2 2 304.409 3.038 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423438458 274152823 /nfs/dbraw/zinc/15/28/23/274152823.db2.gz UVZBKOYXLNXSAP-RBUKOAKNSA-N 2 2 308.425 3.159 20 0 DGADLP C[C@@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414941049 274216464 /nfs/dbraw/zinc/21/64/64/274216464.db2.gz IAYGKJFTGUSRHT-ZETCQYMHSA-N 2 2 300.246 3.161 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2C[NH2+]1 ZINC000261634553 274353629 /nfs/dbraw/zinc/35/36/29/274353629.db2.gz HQVSERRRBGOJGR-MRXNPFEDSA-N 2 2 318.424 3.371 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430742728 274356575 /nfs/dbraw/zinc/35/65/75/274356575.db2.gz MXXAIJPMIIMCGV-INMHGKMJSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430742728 274356577 /nfs/dbraw/zinc/35/65/77/274356577.db2.gz MXXAIJPMIIMCGV-INMHGKMJSA-N 2 2 323.431 3.317 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000295952186 274806648 /nfs/dbraw/zinc/80/66/48/274806648.db2.gz LMDWEFDLDDYCGK-APWZRJJASA-N 2 2 324.472 3.452 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccncc1Cl)CCC2 ZINC000421830478 274824249 /nfs/dbraw/zinc/82/42/49/274824249.db2.gz KAGSJTZPRAKXGI-CHWSQXEVSA-N 2 2 304.825 3.468 20 0 DGADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423211103 274880313 /nfs/dbraw/zinc/88/03/13/274880313.db2.gz XYNJWYSDRQUOOI-NOZJJQNGSA-N 2 2 315.642 3.041 20 0 DGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420261134 274906951 /nfs/dbraw/zinc/90/69/51/274906951.db2.gz OXAURNDILOECBH-CHWSQXEVSA-N 2 2 321.346 3.299 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]C[C@@H]2CCC=CO2)c[nH+]1 ZINC000290663324 275072856 /nfs/dbraw/zinc/07/28/56/275072856.db2.gz ZUWBKGWESBMAMJ-WDSOQIARSA-N 2 2 309.413 3.394 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](Cn2cccn2)C(C)C)cc1 ZINC000423233003 275746733 /nfs/dbraw/zinc/74/67/33/275746733.db2.gz DBLSHUQZOWUOFI-RBUKOAKNSA-N 2 2 314.477 3.321 20 0 DGADLP CC(C)c1ccc(CC[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000470300637 276052228 /nfs/dbraw/zinc/05/22/28/276052228.db2.gz WXQQNFBIFLYTNT-KRWDZBQOSA-N 2 2 304.478 3.053 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415049931 276071140 /nfs/dbraw/zinc/07/11/40/276071140.db2.gz YJTBLAFJTULRMD-KRWDZBQOSA-N 2 2 312.461 3.226 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000076003468 276109639 /nfs/dbraw/zinc/10/96/39/276109639.db2.gz DVJZQFQSMVDUSJ-CQSZACIVSA-N 2 2 312.404 3.452 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000076003468 276109641 /nfs/dbraw/zinc/10/96/41/276109641.db2.gz DVJZQFQSMVDUSJ-CQSZACIVSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422777816 276284790 /nfs/dbraw/zinc/28/47/90/276284790.db2.gz GFKAWGBOXJBLQH-BHIYHBOVSA-N 2 2 304.478 3.145 20 0 DGADLP CCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1nnc2ccccn21 ZINC000422743066 276287724 /nfs/dbraw/zinc/28/77/24/276287724.db2.gz QWCGZARQJNPIAC-IKGGRYGDSA-N 2 2 321.428 3.305 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939952 276394563 /nfs/dbraw/zinc/39/45/63/276394563.db2.gz QWFBMHWDJANCJJ-GDBMZVCRSA-N 2 2 306.498 3.022 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939952 276394564 /nfs/dbraw/zinc/39/45/64/276394564.db2.gz QWFBMHWDJANCJJ-GDBMZVCRSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939952 276394565 /nfs/dbraw/zinc/39/45/65/276394565.db2.gz QWFBMHWDJANCJJ-GDBMZVCRSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939952 276394566 /nfs/dbraw/zinc/39/45/66/276394566.db2.gz QWFBMHWDJANCJJ-GDBMZVCRSA-N 2 2 306.498 3.022 20 0 DGADLP COCCCNc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)c[nH+]1 ZINC000629739245 429962525 /nfs/dbraw/zinc/96/25/25/429962525.db2.gz YXBBQZIAQZHMPV-UHFFFAOYSA-N 2 2 317.408 3.398 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293777543 277064923 /nfs/dbraw/zinc/06/49/23/277064923.db2.gz PXZKCJMWVQUVMW-KOLCDFICSA-N 2 2 315.280 3.182 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293777543 277064925 /nfs/dbraw/zinc/06/49/25/277064925.db2.gz PXZKCJMWVQUVMW-KOLCDFICSA-N 2 2 315.280 3.182 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226030 277175448 /nfs/dbraw/zinc/17/54/48/277175448.db2.gz WQYITMRFEBLMGF-WBVHZDCISA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226030 277175450 /nfs/dbraw/zinc/17/54/50/277175450.db2.gz WQYITMRFEBLMGF-WBVHZDCISA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182226030 277175451 /nfs/dbraw/zinc/17/54/51/277175451.db2.gz WQYITMRFEBLMGF-WBVHZDCISA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182226030 277175454 /nfs/dbraw/zinc/17/54/54/277175454.db2.gz WQYITMRFEBLMGF-WBVHZDCISA-N 2 2 322.493 3.057 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423065433 277622831 /nfs/dbraw/zinc/62/28/31/277622831.db2.gz UKUSFMKALVXFOD-BPLDGKMQSA-N 2 2 300.368 3.453 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@H]1C[NH3+] ZINC000422565137 278006135 /nfs/dbraw/zinc/00/61/35/278006135.db2.gz XSEYMZUYPNCSCS-FRRDWIJNSA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@H]1C[NH3+] ZINC000422565137 278006136 /nfs/dbraw/zinc/00/61/36/278006136.db2.gz XSEYMZUYPNCSCS-FRRDWIJNSA-N 2 2 320.868 3.032 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447599632 278036586 /nfs/dbraw/zinc/03/65/86/278036586.db2.gz KFUOJUXMNZBLHW-CRAIPNDOSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447599632 278036587 /nfs/dbraw/zinc/03/65/87/278036587.db2.gz KFUOJUXMNZBLHW-CRAIPNDOSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430958367 278247838 /nfs/dbraw/zinc/24/78/38/278247838.db2.gz XMOSJGVCRBEUAG-INIZCTEOSA-N 2 2 320.440 3.318 20 0 DGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430958367 278247841 /nfs/dbraw/zinc/24/78/41/278247841.db2.gz XMOSJGVCRBEUAG-INIZCTEOSA-N 2 2 320.440 3.318 20 0 DGADLP Clc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261946244 279292407 /nfs/dbraw/zinc/29/24/07/279292407.db2.gz NJPXCCQPNWUHQC-WBMJQRKESA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2[nH]c([C@@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261946244 279292408 /nfs/dbraw/zinc/29/24/08/279292408.db2.gz NJPXCCQPNWUHQC-WBMJQRKESA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946244 279292411 /nfs/dbraw/zinc/29/24/11/279292411.db2.gz NJPXCCQPNWUHQC-WBMJQRKESA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946244 279292412 /nfs/dbraw/zinc/29/24/12/279292412.db2.gz NJPXCCQPNWUHQC-WBMJQRKESA-N 2 2 318.852 3.353 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000474815810 279348460 /nfs/dbraw/zinc/34/84/60/279348460.db2.gz GVXHKUANIVNQLY-OAGGEKHMSA-N 2 2 324.896 3.390 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000341882423 288125744 /nfs/dbraw/zinc/12/57/44/288125744.db2.gz SKTQWOVDBADWSZ-PBZHRCKQSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000341882423 288125745 /nfs/dbraw/zinc/12/57/45/288125745.db2.gz SKTQWOVDBADWSZ-PBZHRCKQSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1Cl ZINC000271530718 279456470 /nfs/dbraw/zinc/45/64/70/279456470.db2.gz RAHKEXKJJDSYIL-MORSLUCNSA-N 2 2 322.880 3.368 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000069627097 431204679 /nfs/dbraw/zinc/20/46/79/431204679.db2.gz GBOKFQXLURCAIW-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000069627097 431204688 /nfs/dbraw/zinc/20/46/88/431204688.db2.gz GBOKFQXLURCAIW-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000069627101 431206438 /nfs/dbraw/zinc/20/64/38/431206438.db2.gz GBOKFQXLURCAIW-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000069627101 431206445 /nfs/dbraw/zinc/20/64/45/431206445.db2.gz GBOKFQXLURCAIW-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000069725630 431214974 /nfs/dbraw/zinc/21/49/74/431214974.db2.gz VAVDNEPHWQVILM-ONGXEEELSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000069725630 431214978 /nfs/dbraw/zinc/21/49/78/431214978.db2.gz VAVDNEPHWQVILM-ONGXEEELSA-N 2 2 303.269 3.070 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000069710788 431215321 /nfs/dbraw/zinc/21/53/21/431215321.db2.gz SBKJXGGTBKQQMZ-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174326 431242094 /nfs/dbraw/zinc/24/20/94/431242094.db2.gz CANNMWKNLKFDDW-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174326 431242098 /nfs/dbraw/zinc/24/20/98/431242098.db2.gz CANNMWKNLKFDDW-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000070148596 431243491 /nfs/dbraw/zinc/24/34/91/431243491.db2.gz JFMNUIBAOMCYIG-LBPRGKRZSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000070148596 431243512 /nfs/dbraw/zinc/24/35/12/431243512.db2.gz JFMNUIBAOMCYIG-LBPRGKRZSA-N 2 2 315.230 3.292 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nnc(C)o2)c1 ZINC000112531581 431278779 /nfs/dbraw/zinc/27/87/79/431278779.db2.gz XELUBUNVZLWUFE-CYBMUJFWSA-N 2 2 302.422 3.071 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000071145633 431273304 /nfs/dbraw/zinc/27/33/04/431273304.db2.gz RZGOCWWXRIMWDW-ZDUSSCGKSA-N 2 2 303.837 3.238 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000071145633 431273310 /nfs/dbraw/zinc/27/33/10/431273310.db2.gz RZGOCWWXRIMWDW-ZDUSSCGKSA-N 2 2 303.837 3.238 20 0 DGADLP CCc1noc([C@@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)n1 ZINC000114746151 431410663 /nfs/dbraw/zinc/41/06/63/431410663.db2.gz ZIHUSJVCENLYDP-CQSZACIVSA-N 2 2 316.449 3.325 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1ccccn1)[N@@H+]1CCc2ccccc2C1 ZINC000075675303 431491638 /nfs/dbraw/zinc/49/16/38/431491638.db2.gz LYTGYFSBIWYDFJ-HXUWFJFHSA-N 2 2 309.457 3.254 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1ccccn1)[N@H+]1CCc2ccccc2C1 ZINC000075675303 431491642 /nfs/dbraw/zinc/49/16/42/431491642.db2.gz LYTGYFSBIWYDFJ-HXUWFJFHSA-N 2 2 309.457 3.254 20 0 DGADLP Cc1cc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc[nH+]1 ZINC000119147971 431653643 /nfs/dbraw/zinc/65/36/43/431653643.db2.gz GOZDXXAOXFBLFJ-SFHVURJKSA-N 2 2 324.428 3.349 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000118972724 431629430 /nfs/dbraw/zinc/62/94/30/431629430.db2.gz IBWYWMCGHSDIEM-MAUKXSAKSA-N 2 2 300.450 3.165 20 0 DGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000119115243 431647222 /nfs/dbraw/zinc/64/72/22/431647222.db2.gz RIXWHSJFKRZTBQ-FQEVSTJZSA-N 2 2 307.441 3.323 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119278072 431670692 /nfs/dbraw/zinc/67/06/92/431670692.db2.gz WBEHNLMDSKMLQK-GOSISDBHSA-N 2 2 324.428 3.176 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119278072 431670699 /nfs/dbraw/zinc/67/06/99/431670699.db2.gz WBEHNLMDSKMLQK-GOSISDBHSA-N 2 2 324.428 3.176 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183367 431749390 /nfs/dbraw/zinc/74/93/90/431749390.db2.gz HYOXQDVLBRLHCR-LSDHHAIUSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183367 431749393 /nfs/dbraw/zinc/74/93/93/431749393.db2.gz HYOXQDVLBRLHCR-LSDHHAIUSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183367 431749396 /nfs/dbraw/zinc/74/93/96/431749396.db2.gz HYOXQDVLBRLHCR-LSDHHAIUSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183367 431749401 /nfs/dbraw/zinc/74/94/01/431749401.db2.gz HYOXQDVLBRLHCR-LSDHHAIUSA-N 2 2 322.449 3.099 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000119943196 431718695 /nfs/dbraw/zinc/71/86/95/431718695.db2.gz NJKSCHWJBIDDLY-GPMSIDNRSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000121460008 431788246 /nfs/dbraw/zinc/78/82/46/431788246.db2.gz KTCUWGHWZPTLGM-UHFFFAOYSA-N 2 2 304.438 3.024 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000085798256 431841626 /nfs/dbraw/zinc/84/16/26/431841626.db2.gz UTMQLIBLROOTEC-SFHVURJKSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000085798256 431841627 /nfs/dbraw/zinc/84/16/27/431841627.db2.gz UTMQLIBLROOTEC-SFHVURJKSA-N 2 2 317.477 3.034 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@@H]1[NH3+] ZINC000122858283 431847101 /nfs/dbraw/zinc/84/71/01/431847101.db2.gz NWHDRZVUGFFNNL-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@@H]1[NH3+] ZINC000122858283 431847102 /nfs/dbraw/zinc/84/71/02/431847102.db2.gz NWHDRZVUGFFNNL-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000037859804 431851489 /nfs/dbraw/zinc/85/14/89/431851489.db2.gz HJUNWAXMXUPVCD-DGCLKSJQSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000123138170 431856610 /nfs/dbraw/zinc/85/66/10/431856610.db2.gz AAJMJBWMDFJCTR-OXQOHEQNSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000123138170 431856612 /nfs/dbraw/zinc/85/66/12/431856612.db2.gz AAJMJBWMDFJCTR-OXQOHEQNSA-N 2 2 316.489 3.228 20 0 DGADLP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC(C)C ZINC000092253787 431909188 /nfs/dbraw/zinc/90/91/88/431909188.db2.gz OVGBGPMKWCXCBY-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC(C)C ZINC000092253787 431909189 /nfs/dbraw/zinc/90/91/89/431909189.db2.gz OVGBGPMKWCXCBY-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1OC(C)C ZINC000092253787 431909192 /nfs/dbraw/zinc/90/91/92/431909192.db2.gz OVGBGPMKWCXCBY-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1OC(C)C ZINC000092253787 431909194 /nfs/dbraw/zinc/90/91/94/431909194.db2.gz OVGBGPMKWCXCBY-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1csc(Br)c1 ZINC000125003308 431911278 /nfs/dbraw/zinc/91/12/78/431911278.db2.gz DZQJWUQNTYUUJH-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1csc(Br)c1 ZINC000125003308 431911281 /nfs/dbraw/zinc/91/12/81/431911281.db2.gz DZQJWUQNTYUUJH-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1csc(Br)c1 ZINC000125003308 431911284 /nfs/dbraw/zinc/91/12/84/431911284.db2.gz DZQJWUQNTYUUJH-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1csc(Br)c1 ZINC000125003308 431911285 /nfs/dbraw/zinc/91/12/85/431911285.db2.gz DZQJWUQNTYUUJH-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000125049020 431912782 /nfs/dbraw/zinc/91/27/82/431912782.db2.gz JVMHJVIWKJJNQP-FUHIMQAGSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000125049020 431912784 /nfs/dbraw/zinc/91/27/84/431912784.db2.gz JVMHJVIWKJJNQP-FUHIMQAGSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125120991 431914551 /nfs/dbraw/zinc/91/45/51/431914551.db2.gz QQXVREGTNYXQRX-HZPDHXFCSA-N 2 2 312.461 3.296 20 0 DGADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000048336671 431924079 /nfs/dbraw/zinc/92/40/79/431924079.db2.gz JDRFNFAEQKWSHQ-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003572 431888588 /nfs/dbraw/zinc/88/85/88/431888588.db2.gz DLDZQDVKASDKGA-CQSZACIVSA-N 2 2 318.490 3.455 20 0 DGADLP CC(C)c1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003572 431888589 /nfs/dbraw/zinc/88/85/89/431888589.db2.gz DLDZQDVKASDKGA-CQSZACIVSA-N 2 2 318.490 3.455 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124286557 431889163 /nfs/dbraw/zinc/88/91/63/431889163.db2.gz XACWZJBFGVBUGK-LBPRGKRZSA-N 2 2 317.418 3.078 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124286557 431889164 /nfs/dbraw/zinc/88/91/64/431889164.db2.gz XACWZJBFGVBUGK-LBPRGKRZSA-N 2 2 317.418 3.078 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000090720693 431895086 /nfs/dbraw/zinc/89/50/86/431895086.db2.gz XJKQGRLXTFULSF-UWVGGRQHSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)CC[N@H+]1C ZINC000090720693 431895088 /nfs/dbraw/zinc/89/50/88/431895088.db2.gz XJKQGRLXTFULSF-UWVGGRQHSA-N 2 2 303.269 3.083 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000090914199 431897867 /nfs/dbraw/zinc/89/78/67/431897867.db2.gz UBQUPZIFNBUGIH-YYWHXJBOSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000090914199 431897870 /nfs/dbraw/zinc/89/78/70/431897870.db2.gz UBQUPZIFNBUGIH-YYWHXJBOSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cc(NCC2([NH+](C)C)CCOCC2)c2cccc(F)c2[nH+]1 ZINC000126116124 431942881 /nfs/dbraw/zinc/94/28/81/431942881.db2.gz JBRJSKJIVBPDPE-UHFFFAOYSA-N 2 2 317.408 3.205 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CCOCC1)Cc1ccccc1 ZINC000151732767 432271469 /nfs/dbraw/zinc/27/14/69/432271469.db2.gz HIVVCOQFCPGONU-XLIONFOSSA-N 2 2 318.505 3.344 20 0 DGADLP OCC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000183234079 432272460 /nfs/dbraw/zinc/27/24/60/432272460.db2.gz ZVLFEHJQVQFPID-UHFFFAOYSA-N 2 2 322.880 3.057 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCS2 ZINC000191523393 432274363 /nfs/dbraw/zinc/27/43/63/432274363.db2.gz HDSRKEMLJKZEIS-PBFPGSCMSA-N 2 2 318.486 3.447 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCS2 ZINC000191523393 432274368 /nfs/dbraw/zinc/27/43/68/432274368.db2.gz HDSRKEMLJKZEIS-PBFPGSCMSA-N 2 2 318.486 3.447 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@@H](C(C)(C)C)C3)n2c1 ZINC000270695752 432276468 /nfs/dbraw/zinc/27/64/68/432276468.db2.gz WXCVHZDOHOQCSH-GDBMZVCRSA-N 2 2 301.434 3.326 20 0 DGADLP C[C@@H](O)[C@@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)Cc1ccccc1 ZINC000191712366 432293096 /nfs/dbraw/zinc/29/30/96/432293096.db2.gz GOGJCEZRISZMDH-OXQOHEQNSA-N 2 2 323.440 3.054 20 0 DGADLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)c1 ZINC000183168950 432264747 /nfs/dbraw/zinc/26/47/47/432264747.db2.gz XKPXZNHTKHJMDN-SFHVURJKSA-N 2 2 317.408 3.094 20 0 DGADLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)c1 ZINC000183168950 432264750 /nfs/dbraw/zinc/26/47/50/432264750.db2.gz XKPXZNHTKHJMDN-SFHVURJKSA-N 2 2 317.408 3.094 20 0 DGADLP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248062727 432266170 /nfs/dbraw/zinc/26/61/70/432266170.db2.gz YYQOJHXCLNUBOT-BZSNNMDCSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248062727 432266174 /nfs/dbraw/zinc/26/61/74/432266174.db2.gz YYQOJHXCLNUBOT-BZSNNMDCSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000248062727 432266178 /nfs/dbraw/zinc/26/61/78/432266178.db2.gz YYQOJHXCLNUBOT-BZSNNMDCSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC000248062727 432266190 /nfs/dbraw/zinc/26/61/90/432266190.db2.gz YYQOJHXCLNUBOT-BZSNNMDCSA-N 2 2 319.493 3.127 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000152258220 432318080 /nfs/dbraw/zinc/31/80/80/432318080.db2.gz FDZCVZGTGHBZSG-UIFIKXQLSA-N 2 2 324.468 3.220 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000152258220 432318083 /nfs/dbraw/zinc/31/80/83/432318083.db2.gz FDZCVZGTGHBZSG-UIFIKXQLSA-N 2 2 324.468 3.220 20 0 DGADLP Cc1c[nH+]ccc1NC[C@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000191979842 432320363 /nfs/dbraw/zinc/32/03/63/432320363.db2.gz WRHMOMVPOADEEU-GOSISDBHSA-N 2 2 315.392 3.015 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2c[nH+]c3ccc(C)cn23)c1C ZINC000183786753 432326786 /nfs/dbraw/zinc/32/67/86/432326786.db2.gz KPTAAAIWAFXSSH-UHFFFAOYSA-N 2 2 324.428 3.295 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(O)c1 ZINC000192035432 432327436 /nfs/dbraw/zinc/32/74/36/432327436.db2.gz PFPGKXGRKUZGBG-GFCCVEGCSA-N 2 2 316.367 3.460 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1F ZINC000152757259 432355316 /nfs/dbraw/zinc/35/53/16/432355316.db2.gz MRVPMFMUTKRYQM-ZDUSSCGKSA-N 2 2 317.408 3.260 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc3)[nH+]c12 ZINC000192099579 432332069 /nfs/dbraw/zinc/33/20/69/432332069.db2.gz MPBXEMBQZZGMSO-UONOGXRCSA-N 2 2 322.412 3.232 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@H]([NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000271147476 432337369 /nfs/dbraw/zinc/33/73/69/432337369.db2.gz BICGQPNDXYUUIJ-IBGZPJMESA-N 2 2 324.472 3.241 20 0 DGADLP CC(C)COC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000152632547 432346197 /nfs/dbraw/zinc/34/61/97/432346197.db2.gz CDOVGIBYEREARN-QGZVFWFLSA-N 2 2 308.466 3.456 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000152726443 432351492 /nfs/dbraw/zinc/35/14/92/432351492.db2.gz VIDHTTDNUBVXBK-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000152726443 432351497 /nfs/dbraw/zinc/35/14/97/432351497.db2.gz VIDHTTDNUBVXBK-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152771900 432354261 /nfs/dbraw/zinc/35/42/61/432354261.db2.gz IFRFITIJTWUKFX-OAHLLOKOSA-N 2 2 313.445 3.430 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835700 432305667 /nfs/dbraw/zinc/30/56/67/432305667.db2.gz UVXIBWFNIULTEP-FXAWDEMLSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835700 432305671 /nfs/dbraw/zinc/30/56/71/432305671.db2.gz UVXIBWFNIULTEP-FXAWDEMLSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346921 432380039 /nfs/dbraw/zinc/38/00/39/432380039.db2.gz XXFGHBXSFQZWCK-GJZGRUSLSA-N 2 2 306.475 3.270 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346921 432380040 /nfs/dbraw/zinc/38/00/40/432380040.db2.gz XXFGHBXSFQZWCK-GJZGRUSLSA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346921 432380046 /nfs/dbraw/zinc/38/00/46/432380046.db2.gz XXFGHBXSFQZWCK-GJZGRUSLSA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000271346921 432380048 /nfs/dbraw/zinc/38/00/48/432380048.db2.gz XXFGHBXSFQZWCK-GJZGRUSLSA-N 2 2 306.475 3.270 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000252716092 432386390 /nfs/dbraw/zinc/38/63/90/432386390.db2.gz XOEKOGSVSHYQPM-QMTHXVAHSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000252716092 432386393 /nfs/dbraw/zinc/38/63/93/432386393.db2.gz XOEKOGSVSHYQPM-QMTHXVAHSA-N 2 2 315.230 3.018 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000153134750 432386815 /nfs/dbraw/zinc/38/68/15/432386815.db2.gz XIQNKWLZXYLDTH-VQIMIIECSA-N 2 2 320.477 3.094 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000253193525 432389978 /nfs/dbraw/zinc/38/99/78/432389978.db2.gz OVGOJUHQTQSXTD-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000253193525 432389979 /nfs/dbraw/zinc/38/99/79/432389979.db2.gz OVGOJUHQTQSXTD-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C[NH+]1CCOCC1 ZINC000153244568 432394577 /nfs/dbraw/zinc/39/45/77/432394577.db2.gz GTNYNKIRHWMNSL-OLZOCXBDSA-N 2 2 314.832 3.098 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000271457840 432399091 /nfs/dbraw/zinc/39/90/91/432399091.db2.gz GZWLPECJJVKWIY-YOEHRIQHSA-N 2 2 322.880 3.462 20 0 DGADLP Oc1cc(F)cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000184143139 432359142 /nfs/dbraw/zinc/35/91/42/432359142.db2.gz PHLYXWJQPODXRG-GOSISDBHSA-N 2 2 314.404 3.286 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261554426 432429656 /nfs/dbraw/zinc/42/96/56/432429656.db2.gz AZHHZMJFRKNIFC-MRVWCRGKSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261554426 432429659 /nfs/dbraw/zinc/42/96/59/432429659.db2.gz AZHHZMJFRKNIFC-MRVWCRGKSA-N 2 2 309.251 3.051 20 0 DGADLP C/C(=C\c1ccccc1)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184767685 432430858 /nfs/dbraw/zinc/43/08/58/432430858.db2.gz WJKWHRZOJKNACM-JQIJEIRASA-N 2 2 308.429 3.011 20 0 DGADLP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271951721 432431828 /nfs/dbraw/zinc/43/18/28/432431828.db2.gz DJUPJBJTYKJRNY-ACJLOTCBSA-N 2 2 313.376 3.339 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000192950500 432432846 /nfs/dbraw/zinc/43/28/46/432432846.db2.gz TZTLYURBZLYQIN-AWEZNQCLSA-N 2 2 300.450 3.097 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000192964442 432433834 /nfs/dbraw/zinc/43/38/34/432433834.db2.gz GQUCFJYSBRNLKQ-LPHOPBHVSA-N 2 2 320.477 3.093 20 0 DGADLP CC(C)(C)OC(=O)c1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000272082029 432441597 /nfs/dbraw/zinc/44/15/97/432441597.db2.gz BEWJHXDTGIKOEF-UHFFFAOYSA-N 2 2 315.417 3.018 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702980 432442890 /nfs/dbraw/zinc/44/28/90/432442890.db2.gz LTRGMYXOPATYHE-ICSRJNTNSA-N 2 2 323.440 3.037 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702980 432442893 /nfs/dbraw/zinc/44/28/93/432442893.db2.gz LTRGMYXOPATYHE-ICSRJNTNSA-N 2 2 323.440 3.037 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000261743430 432446708 /nfs/dbraw/zinc/44/67/08/432446708.db2.gz PLFIKJGNWIWFGW-MRXNPFEDSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000261743430 432446713 /nfs/dbraw/zinc/44/67/13/432446713.db2.gz PLFIKJGNWIWFGW-MRXNPFEDSA-N 2 2 305.422 3.120 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)C1CC[NH2+]CC1 ZINC000261775706 432447514 /nfs/dbraw/zinc/44/75/14/432447514.db2.gz WMCQDNBYGBVKKA-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)C1CC[NH2+]CC1 ZINC000261775706 432447518 /nfs/dbraw/zinc/44/75/18/432447518.db2.gz WMCQDNBYGBVKKA-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261794856 432450649 /nfs/dbraw/zinc/45/06/49/432450649.db2.gz NSZFRQBQKQRJKG-MRXNPFEDSA-N 2 2 318.852 3.264 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]12 ZINC000261778983 432451253 /nfs/dbraw/zinc/45/12/53/432451253.db2.gz WRTFMOUFTVVOEF-LEWSCRJBSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]12 ZINC000261778983 432451256 /nfs/dbraw/zinc/45/12/56/432451256.db2.gz WRTFMOUFTVVOEF-LEWSCRJBSA-N 2 2 302.315 3.014 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863659 432455982 /nfs/dbraw/zinc/45/59/82/432455982.db2.gz GGYIAJCSBIGZQI-TZMCWYRMSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863659 432455987 /nfs/dbraw/zinc/45/59/87/432455987.db2.gz GGYIAJCSBIGZQI-TZMCWYRMSA-N 2 2 303.381 3.040 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732640 432427910 /nfs/dbraw/zinc/42/79/10/432427910.db2.gz ZYJPHLHZLSEIPF-CQSZACIVSA-N 2 2 318.490 3.455 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732640 432427912 /nfs/dbraw/zinc/42/79/12/432427912.db2.gz ZYJPHLHZLSEIPF-CQSZACIVSA-N 2 2 318.490 3.455 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCO[C@H]3CC(C)C)n2c1 ZINC000185195009 432476270 /nfs/dbraw/zinc/47/62/70/432476270.db2.gz BKBGVVBKFXXTHA-SJORKVTESA-N 2 2 301.434 3.326 20 0 DGADLP CC(C)O[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000185215294 432478099 /nfs/dbraw/zinc/47/80/99/432478099.db2.gz IDRXENPHJWLTSR-HOTGVXAUSA-N 2 2 305.466 3.455 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C2CCCCC2)no1 ZINC000185245912 432482547 /nfs/dbraw/zinc/48/25/47/432482547.db2.gz KVHDBHFNBUBQQQ-CYBMUJFWSA-N 2 2 303.410 3.055 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccccc2F)s1 ZINC000154284868 432487195 /nfs/dbraw/zinc/48/71/95/432487195.db2.gz GRFBMYAWDYOTHK-STQMWFEESA-N 2 2 322.449 3.127 20 0 DGADLP Clc1cccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)co2)c1 ZINC000262488069 432488597 /nfs/dbraw/zinc/48/85/97/432488597.db2.gz KQWSUXFPZDORND-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1cccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)co2)c1 ZINC000262488069 432488599 /nfs/dbraw/zinc/48/85/99/432488599.db2.gz KQWSUXFPZDORND-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C2CCCCC2)cc1 ZINC000154317163 432490054 /nfs/dbraw/zinc/49/00/54/432490054.db2.gz AKXWJPJZHJDKFY-DNVCBOLYSA-N 2 2 304.478 3.307 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000262513343 432490253 /nfs/dbraw/zinc/49/02/53/432490253.db2.gz NCZFRBVBYUKATB-ZFWWWQNUSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000262513343 432490255 /nfs/dbraw/zinc/49/02/55/432490255.db2.gz NCZFRBVBYUKATB-ZFWWWQNUSA-N 2 2 317.820 3.179 20 0 DGADLP COCC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccc(C)o1 ZINC000272388654 432492307 /nfs/dbraw/zinc/49/23/07/432492307.db2.gz ZCNZXPWNTRIHQJ-MRXNPFEDSA-N 2 2 313.401 3.412 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272447443 432503515 /nfs/dbraw/zinc/50/35/15/432503515.db2.gz VHFXZNWBCQHFJD-FRYIKTPZSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447443 432503519 /nfs/dbraw/zinc/50/35/19/432503519.db2.gz VHFXZNWBCQHFJD-FRYIKTPZSA-N 3 2 324.472 3.057 20 0 DGADLP Cc1nc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C)c(C)[nH+]1 ZINC000185484562 432505868 /nfs/dbraw/zinc/50/58/68/432505868.db2.gz DMLJQCHYUSLIII-CQSZACIVSA-N 2 2 316.474 3.347 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551658 432506585 /nfs/dbraw/zinc/50/65/85/432506585.db2.gz SMCVZWJRXFVTKB-SUMWQHHRSA-N 2 2 316.424 3.065 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551658 432506588 /nfs/dbraw/zinc/50/65/88/432506588.db2.gz SMCVZWJRXFVTKB-SUMWQHHRSA-N 2 2 316.424 3.065 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000154010188 432464439 /nfs/dbraw/zinc/46/44/39/432464439.db2.gz NOILMIKCPNHQAU-SFHVURJKSA-N 2 2 319.493 3.189 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261982481 432465023 /nfs/dbraw/zinc/46/50/23/432465023.db2.gz RNZQWAYWQCSJID-CQSZACIVSA-N 2 2 324.350 3.019 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261982481 432465030 /nfs/dbraw/zinc/46/50/30/432465030.db2.gz RNZQWAYWQCSJID-CQSZACIVSA-N 2 2 324.350 3.019 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000262003829 432467765 /nfs/dbraw/zinc/46/77/65/432467765.db2.gz ULAVKPFIACVOAU-KRWDZBQOSA-N 2 2 308.853 3.300 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000262003829 432467766 /nfs/dbraw/zinc/46/77/66/432467766.db2.gz ULAVKPFIACVOAU-KRWDZBQOSA-N 2 2 308.853 3.300 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262035833 432469516 /nfs/dbraw/zinc/46/95/16/432469516.db2.gz OOGPEPJCAVHCIH-GOSISDBHSA-N 2 2 319.880 3.126 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262035833 432469519 /nfs/dbraw/zinc/46/95/19/432469519.db2.gz OOGPEPJCAVHCIH-GOSISDBHSA-N 2 2 319.880 3.126 20 0 DGADLP C[C@@]1(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028476 432469585 /nfs/dbraw/zinc/46/95/85/432469585.db2.gz NVHMYQCNDVUPHD-RHSMWYFYSA-N 2 2 308.853 3.183 20 0 DGADLP C[C@@]1(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028476 432469587 /nfs/dbraw/zinc/46/95/87/432469587.db2.gz NVHMYQCNDVUPHD-RHSMWYFYSA-N 2 2 308.853 3.183 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000176748242 432549584 /nfs/dbraw/zinc/54/95/84/432549584.db2.gz FWGJJFQEQUNKRJ-MAUKXSAKSA-N 2 2 320.477 3.382 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000193973191 432513316 /nfs/dbraw/zinc/51/33/16/432513316.db2.gz PLQBHCKNNXKYBH-CWQOZTLDSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000193973191 432513320 /nfs/dbraw/zinc/51/33/20/432513320.db2.gz PLQBHCKNNXKYBH-CWQOZTLDSA-N 2 2 306.494 3.044 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000154748719 432518129 /nfs/dbraw/zinc/51/81/29/432518129.db2.gz DGQWHRIHFPUXQS-UXLLHSPISA-N 2 2 305.466 3.079 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000154748719 432518134 /nfs/dbraw/zinc/51/81/34/432518134.db2.gz DGQWHRIHFPUXQS-UXLLHSPISA-N 2 2 305.466 3.079 20 0 DGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H](c1ccccc1)N(C)C ZINC000185686908 432523679 /nfs/dbraw/zinc/52/36/79/432523679.db2.gz HOSKLNUOWYTTSV-HNAYVOBHSA-N 2 2 308.429 3.115 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H](c1ccccc1)N(C)C ZINC000185686890 432524187 /nfs/dbraw/zinc/52/41/87/432524187.db2.gz HOSKLNUOWYTTSV-BEFAXECRSA-N 2 2 308.429 3.115 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599152 432531811 /nfs/dbraw/zinc/53/18/11/432531811.db2.gz IUIGBLUGKRHGRC-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599152 432531820 /nfs/dbraw/zinc/53/18/20/432531820.db2.gz IUIGBLUGKRHGRC-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599152 432531825 /nfs/dbraw/zinc/53/18/25/432531825.db2.gz IUIGBLUGKRHGRC-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599152 432531830 /nfs/dbraw/zinc/53/18/30/432531830.db2.gz IUIGBLUGKRHGRC-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP c1[nH]c(C[NH2+]CCc2cn3ccccc3[nH+]2)nc1-c1ccccc1 ZINC000194234233 432533218 /nfs/dbraw/zinc/53/32/18/432533218.db2.gz BJIBTYYCDFPXTA-UHFFFAOYSA-N 2 2 317.396 3.057 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194293256 432538237 /nfs/dbraw/zinc/53/82/37/432538237.db2.gz GRYWDWHWJJWUIR-MRXNPFEDSA-N 2 2 312.461 3.287 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194293256 432538239 /nfs/dbraw/zinc/53/82/39/432538239.db2.gz GRYWDWHWJJWUIR-MRXNPFEDSA-N 2 2 312.461 3.287 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)cn2)c[nH+]1 ZINC000177292454 432609399 /nfs/dbraw/zinc/60/93/99/432609399.db2.gz DHHUSXLKOCTJSY-GOSISDBHSA-N 2 2 318.424 3.332 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)cn2)c[nH+]1 ZINC000177292454 432609405 /nfs/dbraw/zinc/60/94/05/432609405.db2.gz DHHUSXLKOCTJSY-GOSISDBHSA-N 2 2 318.424 3.332 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CC2)CCOCC1)c1ccccc1 ZINC000177359197 432616177 /nfs/dbraw/zinc/61/61/77/432616177.db2.gz NZAPVKWRUMXQKZ-HOTGVXAUSA-N 2 2 302.462 3.275 20 0 DGADLP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cs1 ZINC000176923338 432566540 /nfs/dbraw/zinc/56/65/40/432566540.db2.gz SIAKEQXGBPDOOQ-UHFFFAOYSA-N 2 2 322.865 3.212 20 0 DGADLP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cs1 ZINC000176923338 432566544 /nfs/dbraw/zinc/56/65/44/432566544.db2.gz SIAKEQXGBPDOOQ-UHFFFAOYSA-N 2 2 322.865 3.212 20 0 DGADLP Cc1nc(N2CC[NH+](CC[C@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000194677886 432567233 /nfs/dbraw/zinc/56/72/33/432567233.db2.gz HZNPTZYMEJMIBC-INIZCTEOSA-N 2 2 310.445 3.101 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000263748970 432573065 /nfs/dbraw/zinc/57/30/65/432573065.db2.gz SENGFXITYXMCTF-UHFFFAOYSA-N 3 2 312.461 3.177 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000263748970 432573068 /nfs/dbraw/zinc/57/30/68/432573068.db2.gz SENGFXITYXMCTF-UHFFFAOYSA-N 3 2 312.461 3.177 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(O)c1 ZINC000194847321 432581615 /nfs/dbraw/zinc/58/16/15/432581615.db2.gz WNULGIRKKMQLHD-HNNXBMFYSA-N 2 2 307.397 3.488 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000177093242 432585080 /nfs/dbraw/zinc/58/50/80/432585080.db2.gz MLFGXLBUEIDLIR-GFCCVEGCSA-N 2 2 322.250 3.380 20 0 DGADLP c1csc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)c1 ZINC000177249145 432604783 /nfs/dbraw/zinc/60/47/83/432604783.db2.gz HCBKJBXLJAFOPT-UHFFFAOYSA-N 2 2 310.426 3.493 20 0 DGADLP c1csc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)c1 ZINC000177249145 432604784 /nfs/dbraw/zinc/60/47/84/432604784.db2.gz HCBKJBXLJAFOPT-UHFFFAOYSA-N 2 2 310.426 3.493 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000177492422 432629831 /nfs/dbraw/zinc/62/98/31/432629831.db2.gz MSJPPDKRIFJYBR-HNNXBMFYSA-N 2 2 308.441 3.366 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)cc2[nH+]1 ZINC000344324585 282068050 /nfs/dbraw/zinc/06/80/50/282068050.db2.gz NNPYSCMORHXMRO-GFCCVEGCSA-N 2 2 300.406 3.074 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000247976403 288394683 /nfs/dbraw/zinc/39/46/83/288394683.db2.gz GLEUGTCZGRRNJM-FPAYPSAMSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000247976403 288394685 /nfs/dbraw/zinc/39/46/85/288394685.db2.gz GLEUGTCZGRRNJM-FPAYPSAMSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000247976403 288394687 /nfs/dbraw/zinc/39/46/87/288394687.db2.gz GLEUGTCZGRRNJM-FPAYPSAMSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000247976403 288394689 /nfs/dbraw/zinc/39/46/89/288394689.db2.gz GLEUGTCZGRRNJM-FPAYPSAMSA-N 2 2 302.462 3.321 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264553374 432658928 /nfs/dbraw/zinc/65/89/28/432658928.db2.gz SDJUFEJRGFDPER-UHFFFAOYSA-N 2 2 309.413 3.241 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000274388797 432660492 /nfs/dbraw/zinc/66/04/92/432660492.db2.gz VCWXCJIRSKHFLD-NEPXVJNWSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000274388797 432660497 /nfs/dbraw/zinc/66/04/97/432660497.db2.gz VCWXCJIRSKHFLD-NEPXVJNWSA-N 2 2 302.462 3.054 20 0 DGADLP CCn1nc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000274392523 432660973 /nfs/dbraw/zinc/66/09/73/432660973.db2.gz CQVMHRDVHGTJAU-LSDHHAIUSA-N 2 2 300.450 3.019 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000178187324 432703788 /nfs/dbraw/zinc/70/37/88/432703788.db2.gz MBIALGWDVIZPFX-APWZRJJASA-N 2 2 320.477 3.237 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000188099768 432704205 /nfs/dbraw/zinc/70/42/05/432704205.db2.gz XGOZQUWJLPCQPK-CYBMUJFWSA-N 2 2 311.267 3.066 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCC(F)(F)F)cc1 ZINC000178220904 432709166 /nfs/dbraw/zinc/70/91/66/432709166.db2.gz MNGMKJLIMVVCAQ-LBPRGKRZSA-N 2 2 313.323 3.175 20 0 DGADLP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159221095 432675481 /nfs/dbraw/zinc/67/54/81/432675481.db2.gz GSRKUNZAMVCKPF-SNRMKQJTSA-N 2 2 313.445 3.464 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000159257506 432676761 /nfs/dbraw/zinc/67/67/61/432676761.db2.gz YSSNKUUCYUYGEH-INIZCTEOSA-N 2 2 312.417 3.041 20 0 DGADLP CC[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187754834 432683338 /nfs/dbraw/zinc/68/33/38/432683338.db2.gz LTZFEMFEGLDKKR-IAGOWNOFSA-N 2 2 316.424 3.102 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000178525082 432748854 /nfs/dbraw/zinc/74/88/54/432748854.db2.gz UHUQBQZDLYSLHG-SJORKVTESA-N 2 2 320.477 3.094 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847274 432754229 /nfs/dbraw/zinc/75/42/29/432754229.db2.gz KIFCZONZJCJBQV-PMACEKPBSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847274 432754235 /nfs/dbraw/zinc/75/42/35/432754235.db2.gz KIFCZONZJCJBQV-PMACEKPBSA-N 2 2 315.505 3.062 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235691041 432745151 /nfs/dbraw/zinc/74/51/51/432745151.db2.gz QJYZPLGGWMNSCT-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235691041 432745155 /nfs/dbraw/zinc/74/51/55/432745155.db2.gz QJYZPLGGWMNSCT-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP Clc1c[nH+]ccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000267216708 432823781 /nfs/dbraw/zinc/82/37/81/432823781.db2.gz CKQASILFRABJBC-KRWDZBQOSA-N 2 2 317.820 3.220 20 0 DGADLP Clc1c[nH+]ccc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000267325986 432831635 /nfs/dbraw/zinc/83/16/35/432831635.db2.gz ZRJHSDGYFOFNAP-UHFFFAOYSA-N 2 2 317.820 3.179 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+]CC[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000162903035 432838059 /nfs/dbraw/zinc/83/80/59/432838059.db2.gz BRSIZKHARDZPDB-UHOSZYNNSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000237515890 432790185 /nfs/dbraw/zinc/79/01/85/432790185.db2.gz MAJYFJLGHNWLCR-QGZVFWFLSA-N 2 2 309.457 3.439 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCc2ccccc21 ZINC000267028531 432806388 /nfs/dbraw/zinc/80/63/88/432806388.db2.gz DKDFRAVDQCQAKY-SFHVURJKSA-N 2 2 304.397 3.387 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039280 432808198 /nfs/dbraw/zinc/80/81/98/432808198.db2.gz CUPRRUJHTKKMMZ-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039280 432808201 /nfs/dbraw/zinc/80/82/01/432808201.db2.gz CUPRRUJHTKKMMZ-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039280 432808203 /nfs/dbraw/zinc/80/82/03/432808203.db2.gz CUPRRUJHTKKMMZ-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039280 432808204 /nfs/dbraw/zinc/80/82/04/432808204.db2.gz CUPRRUJHTKKMMZ-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000245841339 432864850 /nfs/dbraw/zinc/86/48/50/432864850.db2.gz DLOYQNLCIFPIPE-IAGOWNOFSA-N 2 2 312.457 3.350 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000245841339 432864854 /nfs/dbraw/zinc/86/48/54/432864854.db2.gz DLOYQNLCIFPIPE-IAGOWNOFSA-N 2 2 312.457 3.350 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000277785262 432875760 /nfs/dbraw/zinc/87/57/60/432875760.db2.gz SAGSKDKCJPTKQF-NSHDSACASA-N 2 2 310.323 3.203 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000277785262 432875761 /nfs/dbraw/zinc/87/57/61/432875761.db2.gz SAGSKDKCJPTKQF-NSHDSACASA-N 2 2 310.323 3.203 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)cc2Cl)CCCO1 ZINC000277914969 432878901 /nfs/dbraw/zinc/87/89/01/432878901.db2.gz PPNNFCQRSJDKMC-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)cc2Cl)CCCO1 ZINC000277914969 432878902 /nfs/dbraw/zinc/87/89/02/432878902.db2.gz PPNNFCQRSJDKMC-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277363132 432842548 /nfs/dbraw/zinc/84/25/48/432842548.db2.gz XFAIVIAODSOIMI-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277363132 432842551 /nfs/dbraw/zinc/84/25/51/432842551.db2.gz XFAIVIAODSOIMI-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC(C)C ZINC000277434305 432848960 /nfs/dbraw/zinc/84/89/60/432848960.db2.gz JRTUAAYXHQTIHF-KRWDZBQOSA-N 2 2 320.477 3.399 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC(C)C ZINC000277434305 432848961 /nfs/dbraw/zinc/84/89/61/432848961.db2.gz JRTUAAYXHQTIHF-KRWDZBQOSA-N 2 2 320.477 3.399 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000277473472 432853442 /nfs/dbraw/zinc/85/34/42/432853442.db2.gz MDYWCDUHYFSLEA-MRXNPFEDSA-N 2 2 319.468 3.342 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000277473472 432853446 /nfs/dbraw/zinc/85/34/46/432853446.db2.gz MDYWCDUHYFSLEA-MRXNPFEDSA-N 2 2 319.468 3.342 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000277473468 432853585 /nfs/dbraw/zinc/85/35/85/432853585.db2.gz MDYWCDUHYFSLEA-INIZCTEOSA-N 2 2 319.468 3.342 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000277473468 432853586 /nfs/dbraw/zinc/85/35/86/432853586.db2.gz MDYWCDUHYFSLEA-INIZCTEOSA-N 2 2 319.468 3.342 20 0 DGADLP COCC1CCC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000296466371 432911360 /nfs/dbraw/zinc/91/13/60/432911360.db2.gz PEHCRXFAQZEZKY-UHFFFAOYSA-N 2 2 301.434 3.290 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000278881342 432911615 /nfs/dbraw/zinc/91/16/15/432911615.db2.gz ZNMSLJLYNJVTCS-FUHWJXTLSA-N 2 2 304.503 3.240 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000278881342 432911619 /nfs/dbraw/zinc/91/16/19/432911619.db2.gz ZNMSLJLYNJVTCS-FUHWJXTLSA-N 2 2 304.503 3.240 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000278881344 432912105 /nfs/dbraw/zinc/91/21/05/432912105.db2.gz ZNMSLJLYNJVTCS-SJLPKXTDSA-N 2 2 304.503 3.240 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000278881344 432912107 /nfs/dbraw/zinc/91/21/07/432912107.db2.gz ZNMSLJLYNJVTCS-SJLPKXTDSA-N 2 2 304.503 3.240 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000349461172 432965141 /nfs/dbraw/zinc/96/51/41/432965141.db2.gz QOXMHKGLAASUBR-YLJYHZDGSA-N 2 2 324.472 3.276 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000349461172 432965145 /nfs/dbraw/zinc/96/51/45/432965145.db2.gz QOXMHKGLAASUBR-YLJYHZDGSA-N 2 2 324.472 3.276 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc2ccccc2c1 ZINC000341119633 432967355 /nfs/dbraw/zinc/96/73/55/432967355.db2.gz HKJFHNXDOMVVJK-UHFFFAOYSA-N 2 2 309.413 3.437 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc2ccccc2c1 ZINC000341119633 432967359 /nfs/dbraw/zinc/96/73/59/432967359.db2.gz HKJFHNXDOMVVJK-UHFFFAOYSA-N 2 2 309.413 3.437 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccnn1C ZINC000297159341 432967787 /nfs/dbraw/zinc/96/77/87/432967787.db2.gz CSSKSPDESPMHBE-LBPRGKRZSA-N 2 2 315.808 3.110 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000341142427 432973266 /nfs/dbraw/zinc/97/32/66/432973266.db2.gz XLSZWUQZQSXPIZ-CALCHBBNSA-N 2 2 314.477 3.100 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000341142427 432973270 /nfs/dbraw/zinc/97/32/70/432973270.db2.gz XLSZWUQZQSXPIZ-CALCHBBNSA-N 2 2 314.477 3.100 20 0 DGADLP COC1CCC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000349722587 432997893 /nfs/dbraw/zinc/99/78/93/432997893.db2.gz PBVJLSDAEPRQKA-UHFFFAOYSA-N 2 2 317.477 3.235 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000290130631 432998222 /nfs/dbraw/zinc/99/82/22/432998222.db2.gz UZZLLTILRPOOSD-OAHLLOKOSA-N 2 2 312.442 3.409 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2[nH+]ccn21 ZINC000289418329 432956695 /nfs/dbraw/zinc/95/66/95/432956695.db2.gz IUVMHONXWVQEDI-UHFFFAOYSA-N 3 2 322.456 3.418 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc2[nH+]ccn21 ZINC000289418329 432956697 /nfs/dbraw/zinc/95/66/97/432956697.db2.gz IUVMHONXWVQEDI-UHFFFAOYSA-N 3 2 322.456 3.418 20 0 DGADLP Cc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341092880 432959873 /nfs/dbraw/zinc/95/98/73/432959873.db2.gz SYNHDDQCADRRHJ-OAHLLOKOSA-N 2 2 310.445 3.595 20 0 DGADLP Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341092880 432959878 /nfs/dbraw/zinc/95/98/78/432959878.db2.gz SYNHDDQCADRRHJ-OAHLLOKOSA-N 2 2 310.445 3.595 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(Cl)c1O ZINC000297777949 433016448 /nfs/dbraw/zinc/01/64/48/433016448.db2.gz VZMNIECZMLTAII-XHDPSFHLSA-N 2 2 324.852 3.017 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1nccs1 ZINC000349843743 433020788 /nfs/dbraw/zinc/02/07/88/433020788.db2.gz YABCZOMHKZKFBE-LLVKDONJSA-N 2 2 321.412 3.253 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1O ZINC000297967653 433037254 /nfs/dbraw/zinc/03/72/54/433037254.db2.gz WYOSVTLLMNBKMI-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1O ZINC000297967653 433037258 /nfs/dbraw/zinc/03/72/58/433037258.db2.gz WYOSVTLLMNBKMI-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000349959250 433040711 /nfs/dbraw/zinc/04/07/11/433040711.db2.gz CZLZVQLGAHKGLN-RYRKJORJSA-N 2 2 305.466 3.219 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000349959250 433040714 /nfs/dbraw/zinc/04/07/14/433040714.db2.gz CZLZVQLGAHKGLN-RYRKJORJSA-N 2 2 305.466 3.219 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290378932 433042044 /nfs/dbraw/zinc/04/20/44/433042044.db2.gz AYXLCEGKSZUKQG-MRXNPFEDSA-N 2 2 304.825 3.120 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290378932 433042048 /nfs/dbraw/zinc/04/20/48/433042048.db2.gz AYXLCEGKSZUKQG-MRXNPFEDSA-N 2 2 304.825 3.120 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000350006020 433050151 /nfs/dbraw/zinc/05/01/51/433050151.db2.gz FGGYQSFARWLUTN-AEFFLSMTSA-N 2 2 317.477 3.268 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000350006020 433050155 /nfs/dbraw/zinc/05/01/55/433050155.db2.gz FGGYQSFARWLUTN-AEFFLSMTSA-N 2 2 317.477 3.268 20 0 DGADLP C[NH+](C)CC1(CN[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCC1 ZINC000129698588 289095040 /nfs/dbraw/zinc/09/50/40/289095040.db2.gz YEYRLFXPAFGWSQ-KRWDZBQOSA-N 2 2 312.461 3.211 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453294920 433070981 /nfs/dbraw/zinc/07/09/81/433070981.db2.gz RHIIXCUFYTWMGE-MJGOQNOKSA-N 2 2 316.489 3.117 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453294920 433070987 /nfs/dbraw/zinc/07/09/87/433070987.db2.gz RHIIXCUFYTWMGE-MJGOQNOKSA-N 2 2 316.489 3.117 20 0 DGADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCC1 ZINC000446753095 433099050 /nfs/dbraw/zinc/09/90/50/433099050.db2.gz JWLSSHWLBMXROJ-KRWDZBQOSA-N 2 2 317.408 3.306 20 0 DGADLP Cc1cc(N(C)CC[N@H+](C)C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000341468446 433075482 /nfs/dbraw/zinc/07/54/82/433075482.db2.gz FOECBEYOBBSXKR-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1cc(N(C)CC[N@@H+](C)C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000341468446 433075493 /nfs/dbraw/zinc/07/54/93/433075493.db2.gz FOECBEYOBBSXKR-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)nc(C2CC2)[nH+]1 ZINC000341468214 433076444 /nfs/dbraw/zinc/07/64/44/433076444.db2.gz DOGYPLFVNPLQAR-UHFFFAOYSA-N 2 2 307.401 3.583 20 0 DGADLP COc1cccc(OCCC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000290551987 433091106 /nfs/dbraw/zinc/09/11/06/433091106.db2.gz ZDYYZQOUCNTNCE-UHFFFAOYSA-N 2 2 314.429 3.390 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCc3cn(C(C)C)nc3C2)c[nH+]1 ZINC000354454856 433093385 /nfs/dbraw/zinc/09/33/85/433093385.db2.gz GEVZWCQCTLVKST-GOSISDBHSA-N 2 2 312.461 3.247 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000373115599 433094486 /nfs/dbraw/zinc/09/44/86/433094486.db2.gz MIOWNUWGONCGAQ-INIZCTEOSA-N 2 2 301.409 3.371 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000373115599 433094499 /nfs/dbraw/zinc/09/44/99/433094499.db2.gz MIOWNUWGONCGAQ-INIZCTEOSA-N 2 2 301.409 3.371 20 0 DGADLP CC(C)CCC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000361349943 433121542 /nfs/dbraw/zinc/12/15/42/433121542.db2.gz AFJWDEXXWPBLJA-VQTJNVASSA-N 2 2 317.521 3.389 20 0 DGADLP CC(C)CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000361349943 433121550 /nfs/dbraw/zinc/12/15/50/433121550.db2.gz AFJWDEXXWPBLJA-VQTJNVASSA-N 2 2 317.521 3.389 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC000354513884 433122493 /nfs/dbraw/zinc/12/24/93/433122493.db2.gz ZSGKXHSOZOTLPF-IBGZPJMESA-N 3 2 301.478 3.177 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC000354513884 433122503 /nfs/dbraw/zinc/12/25/03/433122503.db2.gz ZSGKXHSOZOTLPF-IBGZPJMESA-N 3 2 301.478 3.177 20 0 DGADLP CC(C)c1nc(N2CCC([C@@H](C)[NH3+])CC2)cc(C(C)(C)C)[nH+]1 ZINC000420222301 433125298 /nfs/dbraw/zinc/12/52/98/433125298.db2.gz RSGGPJAZUQBPSQ-CYBMUJFWSA-N 2 2 304.482 3.461 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000446939846 433130447 /nfs/dbraw/zinc/13/04/47/433130447.db2.gz QFMKEHWPMWLLIW-AHRSYUTCSA-N 2 2 316.489 3.300 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000446939846 433130458 /nfs/dbraw/zinc/13/04/58/433130458.db2.gz QFMKEHWPMWLLIW-AHRSYUTCSA-N 2 2 316.489 3.300 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000446935951 433132946 /nfs/dbraw/zinc/13/29/46/433132946.db2.gz IXKFNOAAVLDVKJ-KRWDZBQOSA-N 2 2 310.376 3.174 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420265711 433142269 /nfs/dbraw/zinc/14/22/69/433142269.db2.gz BQMJPMXQFPCURT-UHFFFAOYSA-N 2 2 316.836 3.029 20 0 DGADLP Cc1ccc(CCC[NH2+]CCN(C)Cc2ccc(F)cc2)c[nH+]1 ZINC000354469959 433103407 /nfs/dbraw/zinc/10/34/07/433103407.db2.gz VDOUJYFRKCFBIR-UHFFFAOYSA-N 2 2 315.436 3.183 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000446825633 433107745 /nfs/dbraw/zinc/10/77/45/433107745.db2.gz KFOZBRQGDQKQPZ-LPHOPBHVSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000446825633 433107752 /nfs/dbraw/zinc/10/77/52/433107752.db2.gz KFOZBRQGDQKQPZ-LPHOPBHVSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822286 433110759 /nfs/dbraw/zinc/11/07/59/433110759.db2.gz VYPBXJLNJAFHPX-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822286 433110763 /nfs/dbraw/zinc/11/07/63/433110763.db2.gz VYPBXJLNJAFHPX-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccc(Br)c1 ZINC000290603251 433114016 /nfs/dbraw/zinc/11/40/16/433114016.db2.gz WAXUOGAGWUKURU-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccc(Br)c1 ZINC000290603251 433114030 /nfs/dbraw/zinc/11/40/30/433114030.db2.gz WAXUOGAGWUKURU-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP CC(C)(C)c1cc(N2CCC(C[NH3+])CC2)nc(C(C)(C)C)[nH+]1 ZINC000420180800 433118459 /nfs/dbraw/zinc/11/84/59/433118459.db2.gz HISVOLTYHVOIBL-UHFFFAOYSA-N 2 2 304.482 3.247 20 0 DGADLP COc1ccc2c(c1)nc(C[NH2+]CCCc1ccc(C)[nH+]c1)n2C ZINC000354666299 433208792 /nfs/dbraw/zinc/20/87/92/433208792.db2.gz PZEMBXXUAFORSO-UHFFFAOYSA-N 2 2 324.428 3.008 20 0 DGADLP COc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000420318235 433157981 /nfs/dbraw/zinc/15/79/81/433157981.db2.gz ODPMIYALAUHHNK-HNNXBMFYSA-N 2 2 314.429 3.053 20 0 DGADLP COc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000420318235 433157991 /nfs/dbraw/zinc/15/79/91/433157991.db2.gz ODPMIYALAUHHNK-HNNXBMFYSA-N 2 2 314.429 3.053 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453401072 433158850 /nfs/dbraw/zinc/15/88/50/433158850.db2.gz DKQYMMYJRONIBZ-AEFFLSMTSA-N 2 2 319.493 3.087 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453401072 433158855 /nfs/dbraw/zinc/15/88/55/433158855.db2.gz DKQYMMYJRONIBZ-AEFFLSMTSA-N 2 2 319.493 3.087 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nc1 ZINC000453408692 433162851 /nfs/dbraw/zinc/16/28/51/433162851.db2.gz FQUZKCGKIUCUQB-PXNSSMCTSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc1 ZINC000453408692 433162861 /nfs/dbraw/zinc/16/28/61/433162861.db2.gz FQUZKCGKIUCUQB-PXNSSMCTSA-N 2 2 309.457 3.358 20 0 DGADLP C[N@H+](Cc1nc(-c2ccccc2Cl)cs1)C1CC([NH3+])C1 ZINC000420339341 433168974 /nfs/dbraw/zinc/16/89/74/433168974.db2.gz SKZVXINWMUDZOK-UHFFFAOYSA-N 2 2 307.850 3.385 20 0 DGADLP C[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)C1CC([NH3+])C1 ZINC000420339341 433168986 /nfs/dbraw/zinc/16/89/86/433168986.db2.gz SKZVXINWMUDZOK-UHFFFAOYSA-N 2 2 307.850 3.385 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1C ZINC000420334726 433171385 /nfs/dbraw/zinc/17/13/85/433171385.db2.gz LCDUTZZTRDSZIK-PXAZEXFGSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1C ZINC000420334726 433171390 /nfs/dbraw/zinc/17/13/90/433171390.db2.gz LCDUTZZTRDSZIK-PXAZEXFGSA-N 2 2 302.462 3.374 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000336659926 433172662 /nfs/dbraw/zinc/17/26/62/433172662.db2.gz QLNGMUCBRFKJGC-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000336659926 433172666 /nfs/dbraw/zinc/17/26/66/433172666.db2.gz QLNGMUCBRFKJGC-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420360934 433173836 /nfs/dbraw/zinc/17/38/36/433173836.db2.gz HPEIEKNBXQYVBH-PSTGCABASA-N 2 2 319.836 3.471 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420360246 433175750 /nfs/dbraw/zinc/17/57/50/433175750.db2.gz KVWWQGGUWOJDQA-INIZCTEOSA-N 2 2 319.836 3.473 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420360937 433176090 /nfs/dbraw/zinc/17/60/90/433176090.db2.gz HPEIEKNBXQYVBH-QFSBIZTOSA-N 2 2 319.836 3.471 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000420353005 433178190 /nfs/dbraw/zinc/17/81/90/433178190.db2.gz ACMFQJFJQGOEFG-JMSVASOKSA-N 2 2 316.367 3.104 20 0 DGADLP Cc1cc(F)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(F)c1 ZINC000425341004 433179989 /nfs/dbraw/zinc/17/99/89/433179989.db2.gz WSJHLOVOJBDGMG-UHFFFAOYSA-N 2 2 319.399 3.461 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000336703187 433181857 /nfs/dbraw/zinc/18/18/57/433181857.db2.gz GCBUYZFVGJWIHJ-OXQOHEQNSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000336703187 433181865 /nfs/dbraw/zinc/18/18/65/433181865.db2.gz GCBUYZFVGJWIHJ-OXQOHEQNSA-N 2 2 310.441 3.448 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000420369950 433182312 /nfs/dbraw/zinc/18/23/12/433182312.db2.gz VKCAQZGIHVDDCR-CQSZACIVSA-N 2 2 307.438 3.412 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346639 433183891 /nfs/dbraw/zinc/18/38/91/433183891.db2.gz WRNNJRJUSOVCSG-DOTOQJQBSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346639 433183904 /nfs/dbraw/zinc/18/39/04/433183904.db2.gz WRNNJRJUSOVCSG-DOTOQJQBSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420371418 433186433 /nfs/dbraw/zinc/18/64/33/433186433.db2.gz PKOYHZZSBNLYAB-RLFYNMQTSA-N 2 2 317.477 3.033 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000420378195 433188500 /nfs/dbraw/zinc/18/85/00/433188500.db2.gz XAJKXZZOZKKFKS-UHIISALHSA-N 2 2 302.340 3.061 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)ccc1OC(C)C ZINC000341653827 433192539 /nfs/dbraw/zinc/19/25/39/433192539.db2.gz FBCHRGIIZLRSEP-AWEZNQCLSA-N 2 2 303.406 3.030 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1c1cccc(F)c1 ZINC000420390403 433193309 /nfs/dbraw/zinc/19/33/09/433193309.db2.gz NDFPTLPBJQEYPK-DLBZAZTESA-N 2 2 304.434 3.247 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1c1cccc(F)c1 ZINC000420390403 433193312 /nfs/dbraw/zinc/19/33/12/433193312.db2.gz NDFPTLPBJQEYPK-DLBZAZTESA-N 2 2 304.434 3.247 20 0 DGADLP Cc1nc(N2CC[NH+](C[C@@H](c3ccccc3)C(C)C)CC2)cc[nH+]1 ZINC000354646542 433196182 /nfs/dbraw/zinc/19/61/82/433196182.db2.gz KIBBNIPTBQORNS-LJQANCHMSA-N 2 2 324.472 3.347 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1cccc(F)c1 ZINC000420392809 433196307 /nfs/dbraw/zinc/19/63/07/433196307.db2.gz PSKCXOSUXVKLBJ-VBNZEHGJSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1cccc(F)c1 ZINC000420392809 433196316 /nfs/dbraw/zinc/19/63/16/433196316.db2.gz PSKCXOSUXVKLBJ-VBNZEHGJSA-N 2 2 312.379 3.378 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000420399204 433199022 /nfs/dbraw/zinc/19/90/22/433199022.db2.gz ZXKRSAKLHBBJHH-UHFFFAOYSA-N 2 2 318.852 3.147 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000420399204 433199027 /nfs/dbraw/zinc/19/90/27/433199027.db2.gz ZXKRSAKLHBBJHH-UHFFFAOYSA-N 2 2 318.852 3.147 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416273 433200681 /nfs/dbraw/zinc/20/06/81/433200681.db2.gz VRIRGRCMFNAOCH-BXUZGUMPSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416273 433200689 /nfs/dbraw/zinc/20/06/89/433200689.db2.gz VRIRGRCMFNAOCH-BXUZGUMPSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000453572816 433211425 /nfs/dbraw/zinc/21/14/25/433211425.db2.gz OLZAHTHSXUTHII-UHFFFAOYSA-N 2 2 317.296 3.395 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)n1-c1ccccc1 ZINC000453585794 433220115 /nfs/dbraw/zinc/22/01/15/433220115.db2.gz UERBNFPDFMVNNH-MRXNPFEDSA-N 2 2 313.445 3.476 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCSC1 ZINC000341700069 433222811 /nfs/dbraw/zinc/22/28/11/433222811.db2.gz STDGNRIYVZVDSC-DLBZAZTESA-N 2 2 308.466 3.230 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405450 433228691 /nfs/dbraw/zinc/22/86/91/433228691.db2.gz JFIMKLDXPPTHEO-JZXOWHBKSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405450 433228698 /nfs/dbraw/zinc/22/86/98/433228698.db2.gz JFIMKLDXPPTHEO-JZXOWHBKSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405450 433228706 /nfs/dbraw/zinc/22/87/06/433228706.db2.gz JFIMKLDXPPTHEO-JZXOWHBKSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405450 433228714 /nfs/dbraw/zinc/22/87/14/433228714.db2.gz JFIMKLDXPPTHEO-JZXOWHBKSA-N 2 2 306.498 3.314 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000453601590 433230966 /nfs/dbraw/zinc/23/09/66/433230966.db2.gz FCIHUNZBGREUIT-IBGZPJMESA-N 2 2 318.461 3.376 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000453601590 433230971 /nfs/dbraw/zinc/23/09/71/433230971.db2.gz FCIHUNZBGREUIT-IBGZPJMESA-N 2 2 318.461 3.376 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000291467125 433244205 /nfs/dbraw/zinc/24/42/05/433244205.db2.gz DMODXMFXXASKQY-SFHVURJKSA-N 2 2 316.470 3.462 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c[nH+]1 ZINC000453621109 433246209 /nfs/dbraw/zinc/24/62/09/433246209.db2.gz SYBDAWVRXXFBOB-SFHVURJKSA-N 2 2 304.478 3.490 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569019 433250335 /nfs/dbraw/zinc/25/03/35/433250335.db2.gz ZGWJVEJWOUVSMW-NEPJUHHUSA-N 2 2 315.255 3.347 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569019 433250341 /nfs/dbraw/zinc/25/03/41/433250341.db2.gz ZGWJVEJWOUVSMW-NEPJUHHUSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569019 433250346 /nfs/dbraw/zinc/25/03/46/433250346.db2.gz ZGWJVEJWOUVSMW-NEPJUHHUSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)o2)C[C@H]1C ZINC000361569019 433250354 /nfs/dbraw/zinc/25/03/54/433250354.db2.gz ZGWJVEJWOUVSMW-NEPJUHHUSA-N 2 2 315.255 3.347 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnc(Cl)c1Cl ZINC000291508895 433257759 /nfs/dbraw/zinc/25/77/59/433257759.db2.gz IDECIISHRBWAAM-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc(Cl)c1Cl ZINC000291508895 433257768 /nfs/dbraw/zinc/25/77/68/433257768.db2.gz IDECIISHRBWAAM-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000341762935 433257833 /nfs/dbraw/zinc/25/78/33/433257833.db2.gz VWLJMIXOQLBTER-IEBWSBKVSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000341762935 433257837 /nfs/dbraw/zinc/25/78/37/433257837.db2.gz VWLJMIXOQLBTER-IEBWSBKVSA-N 2 2 320.452 3.150 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000291513179 433258007 /nfs/dbraw/zinc/25/80/07/433258007.db2.gz IMXDQVWAPJAARD-VQTJNVASSA-N 2 2 310.441 3.078 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000341762936 433259776 /nfs/dbraw/zinc/25/97/76/433259776.db2.gz VWLJMIXOQLBTER-MJGOQNOKSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000341762936 433259783 /nfs/dbraw/zinc/25/97/83/433259783.db2.gz VWLJMIXOQLBTER-MJGOQNOKSA-N 2 2 320.452 3.150 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726566 433267042 /nfs/dbraw/zinc/26/70/42/433267042.db2.gz GGJXPKGVXKJWPX-JQWIXIFHSA-N 2 2 321.412 3.324 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726566 433267051 /nfs/dbraw/zinc/26/70/51/433267051.db2.gz GGJXPKGVXKJWPX-JQWIXIFHSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726566 433267058 /nfs/dbraw/zinc/26/70/58/433267058.db2.gz GGJXPKGVXKJWPX-JQWIXIFHSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726566 433267067 /nfs/dbraw/zinc/26/70/67/433267067.db2.gz GGJXPKGVXKJWPX-JQWIXIFHSA-N 2 2 321.412 3.324 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCCCOC(C)(C)C)CC2)c1 ZINC000354845613 433314435 /nfs/dbraw/zinc/31/44/35/433314435.db2.gz XFUVVUIJGIMSNG-UHFFFAOYSA-N 2 2 305.466 3.107 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281601128 433317168 /nfs/dbraw/zinc/31/71/68/433317168.db2.gz MEMQKHCMVLVMCC-PBHICJAKSA-N 2 2 301.438 3.052 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281601128 433317177 /nfs/dbraw/zinc/31/71/77/433317177.db2.gz MEMQKHCMVLVMCC-PBHICJAKSA-N 2 2 301.438 3.052 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291608840 433285824 /nfs/dbraw/zinc/28/58/24/433285824.db2.gz QVKODERHZPTKQM-UHFFFAOYSA-N 2 2 313.323 3.130 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291608840 433285838 /nfs/dbraw/zinc/28/58/38/433285838.db2.gz QVKODERHZPTKQM-UHFFFAOYSA-N 2 2 313.323 3.130 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1c(C2CC2)nc2sccn12 ZINC000281429283 433299556 /nfs/dbraw/zinc/29/95/56/433299556.db2.gz ZKOAVOJQTHPJCU-UHFFFAOYSA-N 2 2 318.490 3.191 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1c(C2CC2)nc2sccn12 ZINC000281429283 433299566 /nfs/dbraw/zinc/29/95/66/433299566.db2.gz ZKOAVOJQTHPJCU-UHFFFAOYSA-N 2 2 318.490 3.191 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000420902982 433301032 /nfs/dbraw/zinc/30/10/32/433301032.db2.gz AJXCLJIRIBITDA-VQTJNVASSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000420902982 433301042 /nfs/dbraw/zinc/30/10/42/433301042.db2.gz AJXCLJIRIBITDA-VQTJNVASSA-N 2 2 314.473 3.283 20 0 DGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000420900617 433302843 /nfs/dbraw/zinc/30/28/43/433302843.db2.gz IQMUWJWWCGYCNO-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000420900617 433302848 /nfs/dbraw/zinc/30/28/48/433302848.db2.gz IQMUWJWWCGYCNO-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP Cc1cccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420907317 433306302 /nfs/dbraw/zinc/30/63/02/433306302.db2.gz VCSQYQKXTLAJJA-UHFFFAOYSA-N 2 2 324.468 3.459 20 0 DGADLP Cc1cccc(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420907317 433306315 /nfs/dbraw/zinc/30/63/15/433306315.db2.gz VCSQYQKXTLAJJA-UHFFFAOYSA-N 2 2 324.468 3.459 20 0 DGADLP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835624 433306248 /nfs/dbraw/zinc/30/62/48/433306248.db2.gz VNTFGIMYVXZJJR-PMACEKPBSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835624 433306257 /nfs/dbraw/zinc/30/62/57/433306257.db2.gz VNTFGIMYVXZJJR-PMACEKPBSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835624 433306269 /nfs/dbraw/zinc/30/62/69/433306269.db2.gz VNTFGIMYVXZJJR-PMACEKPBSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835624 433306277 /nfs/dbraw/zinc/30/62/77/433306277.db2.gz VNTFGIMYVXZJJR-PMACEKPBSA-N 2 2 316.489 3.398 20 0 DGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)(C)O ZINC000361704127 433351847 /nfs/dbraw/zinc/35/18/47/433351847.db2.gz AMHIBOYVCIKURI-UHFFFAOYSA-N 2 2 301.434 3.164 20 0 DGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)(C)O ZINC000361704127 433351859 /nfs/dbraw/zinc/35/18/59/433351859.db2.gz AMHIBOYVCIKURI-UHFFFAOYSA-N 2 2 301.434 3.164 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034124 433357134 /nfs/dbraw/zinc/35/71/34/433357134.db2.gz FZVXVZXKJMGYRA-QAPCUYQASA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448034124 433357143 /nfs/dbraw/zinc/35/71/43/433357143.db2.gz FZVXVZXKJMGYRA-QAPCUYQASA-N 2 2 304.478 3.336 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000448068886 433359308 /nfs/dbraw/zinc/35/93/08/433359308.db2.gz CJSUQQASPWVUAG-UHFFFAOYSA-N 2 2 313.489 3.121 20 0 DGADLP C([NH2+]C1CC2(CCC2)C1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000448068077 433360242 /nfs/dbraw/zinc/36/02/42/433360242.db2.gz TYZUDDFHNWMUDL-UHFFFAOYSA-N 2 2 306.494 3.191 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414055701 433366208 /nfs/dbraw/zinc/36/62/08/433366208.db2.gz CWAXVZJRXSPKTL-CQSZACIVSA-N 2 2 323.444 3.228 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000299414432 433367794 /nfs/dbraw/zinc/36/77/94/433367794.db2.gz WHLDQUHEVGUIIK-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000299414432 433367801 /nfs/dbraw/zinc/36/78/01/433367801.db2.gz WHLDQUHEVGUIIK-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414432 433367810 /nfs/dbraw/zinc/36/78/10/433367810.db2.gz WHLDQUHEVGUIIK-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414432 433367818 /nfs/dbraw/zinc/36/78/18/433367818.db2.gz WHLDQUHEVGUIIK-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000341873886 433332223 /nfs/dbraw/zinc/33/22/23/433332223.db2.gz HSLNGNZFTUIFHQ-VQIMIIECSA-N 2 2 316.445 3.176 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885722 433333289 /nfs/dbraw/zinc/33/32/89/433333289.db2.gz FZCACZPFVUTRPU-SWLSCSKDSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885722 433333298 /nfs/dbraw/zinc/33/32/98/433333298.db2.gz FZCACZPFVUTRPU-SWLSCSKDSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885722 433333310 /nfs/dbraw/zinc/33/33/10/433333310.db2.gz FZCACZPFVUTRPU-SWLSCSKDSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885722 433333318 /nfs/dbraw/zinc/33/33/18/433333318.db2.gz FZCACZPFVUTRPU-SWLSCSKDSA-N 2 2 315.383 3.405 20 0 DGADLP CC[C@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420944072 433336506 /nfs/dbraw/zinc/33/65/06/433336506.db2.gz XSEKKUIEQCMQIR-LJQANCHMSA-N 2 2 302.462 3.141 20 0 DGADLP CC[C@]1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420944072 433336517 /nfs/dbraw/zinc/33/65/17/433336517.db2.gz XSEKKUIEQCMQIR-LJQANCHMSA-N 2 2 302.462 3.141 20 0 DGADLP CC[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883262 433337325 /nfs/dbraw/zinc/33/73/25/433337325.db2.gz NTTMMIRQLLUNRV-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883262 433337337 /nfs/dbraw/zinc/33/73/37/433337337.db2.gz NTTMMIRQLLUNRV-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883262 433337343 /nfs/dbraw/zinc/33/73/43/433337343.db2.gz NTTMMIRQLLUNRV-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883262 433337353 /nfs/dbraw/zinc/33/73/53/433337353.db2.gz NTTMMIRQLLUNRV-HKUYNNGSSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890650 433340569 /nfs/dbraw/zinc/34/05/69/433340569.db2.gz MRNNJMWXDHHFTQ-HBFSDRIKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890650 433340578 /nfs/dbraw/zinc/34/05/78/433340578.db2.gz MRNNJMWXDHHFTQ-HBFSDRIKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890650 433340585 /nfs/dbraw/zinc/34/05/85/433340585.db2.gz MRNNJMWXDHHFTQ-HBFSDRIKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890650 433340589 /nfs/dbraw/zinc/34/05/89/433340589.db2.gz MRNNJMWXDHHFTQ-HBFSDRIKSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1sccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000339190448 433429150 /nfs/dbraw/zinc/42/91/50/433429150.db2.gz NGSRQMROQVBXFG-UHFFFAOYSA-N 2 2 316.470 3.179 20 0 DGADLP C(=C\c1ccncc1)\C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167758 433432105 /nfs/dbraw/zinc/43/21/05/433432105.db2.gz MYPZQBQVZVMLTC-CWIOURORSA-N 2 2 308.429 3.117 20 0 DGADLP C(=C\c1ccncc1)\C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167758 433432112 /nfs/dbraw/zinc/43/21/12/433432112.db2.gz MYPZQBQVZVMLTC-CWIOURORSA-N 2 2 308.429 3.117 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361769670 433383898 /nfs/dbraw/zinc/38/38/98/433383898.db2.gz GSODZYDDWPBNMX-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361769670 433383905 /nfs/dbraw/zinc/38/39/05/433383905.db2.gz GSODZYDDWPBNMX-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP Fc1cncc([C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C2CC2)c1 ZINC000281825787 433396393 /nfs/dbraw/zinc/39/63/93/433396393.db2.gz ZXQHCHNGDWWMQI-ZWKOTPCHSA-N 2 2 303.425 3.278 20 0 DGADLP Fc1cncc([C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C2CC2)c1 ZINC000281825787 433396405 /nfs/dbraw/zinc/39/64/05/433396405.db2.gz ZXQHCHNGDWWMQI-ZWKOTPCHSA-N 2 2 303.425 3.278 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(F)c4F)o3)C[C@@H]2C1 ZINC000426003873 433399477 /nfs/dbraw/zinc/39/94/77/433399477.db2.gz UGEOFOATEJJSKO-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(F)c4F)o3)C[C@@H]2C1 ZINC000426003873 433399487 /nfs/dbraw/zinc/39/94/87/433399487.db2.gz UGEOFOATEJJSKO-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(F)c4F)o3)C[C@@H]2C1 ZINC000426003873 433399498 /nfs/dbraw/zinc/39/94/98/433399498.db2.gz UGEOFOATEJJSKO-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc(F)c4F)o3)C[C@@H]2C1 ZINC000426003873 433399509 /nfs/dbraw/zinc/39/95/09/433399509.db2.gz UGEOFOATEJJSKO-BETUJISGSA-N 2 2 318.367 3.218 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000339177190 433417705 /nfs/dbraw/zinc/41/77/05/433417705.db2.gz XDHBWEGSBXLHOP-GJZGRUSLSA-N 2 2 310.869 3.237 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000355046118 433435801 /nfs/dbraw/zinc/43/58/01/433435801.db2.gz DIAUWGMRKKICMK-DZGCQCFKSA-N 2 2 316.367 3.023 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000355046118 433435809 /nfs/dbraw/zinc/43/58/09/433435809.db2.gz DIAUWGMRKKICMK-DZGCQCFKSA-N 2 2 316.367 3.023 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000281945000 433436085 /nfs/dbraw/zinc/43/60/85/433436085.db2.gz IFIHFWSFYFLFHP-UHFFFAOYSA-N 2 2 300.793 3.289 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052230 433440464 /nfs/dbraw/zinc/44/04/64/433440464.db2.gz BRSNGGZTAKBILT-HNAYVOBHSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052230 433440471 /nfs/dbraw/zinc/44/04/71/433440471.db2.gz BRSNGGZTAKBILT-HNAYVOBHSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292052230 433440479 /nfs/dbraw/zinc/44/04/79/433440479.db2.gz BRSNGGZTAKBILT-HNAYVOBHSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292052230 433440488 /nfs/dbraw/zinc/44/04/88/433440488.db2.gz BRSNGGZTAKBILT-HNAYVOBHSA-N 2 2 311.429 3.430 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000339213517 433443237 /nfs/dbraw/zinc/44/32/37/433443237.db2.gz JIBYMJDLXYGAMZ-CQSZACIVSA-N 2 2 319.474 3.300 20 0 DGADLP FC(F)C1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000281962982 433444910 /nfs/dbraw/zinc/44/49/10/433444910.db2.gz NEAUVJCCAYTYBR-UHFFFAOYSA-N 2 2 323.431 3.460 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCC1 ZINC000355069441 433447793 /nfs/dbraw/zinc/44/77/93/433447793.db2.gz ZJUCCTLYCGKKBM-CRAIPNDOSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CCC1 ZINC000355069441 433447799 /nfs/dbraw/zinc/44/77/99/433447799.db2.gz ZJUCCTLYCGKKBM-CRAIPNDOSA-N 2 2 314.473 3.189 20 0 DGADLP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@H]3C3CC3)CC2)ccn1 ZINC000414195675 433455457 /nfs/dbraw/zinc/45/54/57/433455457.db2.gz OFHSYNCCYQTWAQ-QUCCMNQESA-N 2 2 313.489 3.462 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]3C3CC3)CC2)nc1 ZINC000414201120 433457133 /nfs/dbraw/zinc/45/71/33/433457133.db2.gz SNAPTFCXSRBEGY-FXAWDEMLSA-N 2 2 313.489 3.462 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000361947517 433466609 /nfs/dbraw/zinc/46/66/09/433466609.db2.gz XZRNJMXRICYVFJ-ZDUSSCGKSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000361947517 433466621 /nfs/dbraw/zinc/46/66/21/433466621.db2.gz XZRNJMXRICYVFJ-ZDUSSCGKSA-N 2 2 320.234 3.172 20 0 DGADLP CSCc1cnc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000339264211 433478044 /nfs/dbraw/zinc/47/80/44/433478044.db2.gz LPWCQOMWZRTIRQ-CYBMUJFWSA-N 2 2 315.552 3.462 20 0 DGADLP CC[C@@H](C)[N@H+](C)CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000301283468 433485318 /nfs/dbraw/zinc/48/53/18/433485318.db2.gz QTTVCAPGXHLGDE-CYBMUJFWSA-N 2 2 313.449 3.298 20 0 DGADLP CC[C@@H](C)[N@@H+](C)CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000301283468 433485327 /nfs/dbraw/zinc/48/53/27/433485327.db2.gz QTTVCAPGXHLGDE-CYBMUJFWSA-N 2 2 313.449 3.298 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000361980155 433481665 /nfs/dbraw/zinc/48/16/65/433481665.db2.gz HRDRTLLOXFLPRV-JLSDUUJJSA-N 2 2 300.446 3.281 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000361980155 433481674 /nfs/dbraw/zinc/48/16/74/433481674.db2.gz HRDRTLLOXFLPRV-JLSDUUJJSA-N 2 2 300.446 3.281 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351347373 433482747 /nfs/dbraw/zinc/48/27/47/433482747.db2.gz ABUVYLUDCHDIGE-MRXNPFEDSA-N 2 2 305.466 3.325 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351347373 433482756 /nfs/dbraw/zinc/48/27/56/433482756.db2.gz ABUVYLUDCHDIGE-MRXNPFEDSA-N 2 2 305.466 3.325 20 0 DGADLP CC[C@H](C)[N@H+](C)CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000301283469 433485512 /nfs/dbraw/zinc/48/55/12/433485512.db2.gz QTTVCAPGXHLGDE-ZDUSSCGKSA-N 2 2 313.449 3.298 20 0 DGADLP CC[C@H](C)[N@@H+](C)CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000301283469 433485524 /nfs/dbraw/zinc/48/55/24/433485524.db2.gz QTTVCAPGXHLGDE-ZDUSSCGKSA-N 2 2 313.449 3.298 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2ccc(Br)cc2C1 ZINC000342122293 433484422 /nfs/dbraw/zinc/48/44/22/433484422.db2.gz NYENKNJCYJICBG-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccc(Br)cc2C1 ZINC000342122293 433484434 /nfs/dbraw/zinc/48/44/34/433484434.db2.gz NYENKNJCYJICBG-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342122293 433484448 /nfs/dbraw/zinc/48/44/48/433484448.db2.gz NYENKNJCYJICBG-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342122293 433484455 /nfs/dbraw/zinc/48/44/55/433484455.db2.gz NYENKNJCYJICBG-MRXNPFEDSA-N 2 2 323.278 3.292 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)C(C)C ZINC000414286062 433513973 /nfs/dbraw/zinc/51/39/73/433513973.db2.gz CEDMDRVFHUMPJF-JCGIZDLHSA-N 2 2 301.434 3.318 20 0 DGADLP Cc1occc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000414289941 433517310 /nfs/dbraw/zinc/51/73/10/433517310.db2.gz MYZDKXVMGOPMEF-UHFFFAOYSA-N 2 2 302.393 3.481 20 0 DGADLP CCc1cc(NC[C@H](c2ccccc2OC)[NH+](C)C)nc(C)[nH+]1 ZINC000301350567 433518295 /nfs/dbraw/zinc/51/82/95/433518295.db2.gz MPPSVBCSZAZVLX-MRXNPFEDSA-N 2 2 314.433 3.071 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)n1C ZINC000414296957 433519988 /nfs/dbraw/zinc/51/99/88/433519988.db2.gz FWOKQFKSKKIROQ-ZWKOTPCHSA-N 2 2 312.461 3.302 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474291 433520383 /nfs/dbraw/zinc/52/03/83/433520383.db2.gz YFNGYTGSJPODOG-SFHVURJKSA-N 2 2 324.472 3.105 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474291 433520393 /nfs/dbraw/zinc/52/03/93/433520393.db2.gz YFNGYTGSJPODOG-SFHVURJKSA-N 2 2 324.472 3.105 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474291 433520400 /nfs/dbraw/zinc/52/04/00/433520400.db2.gz YFNGYTGSJPODOG-SFHVURJKSA-N 2 2 324.472 3.105 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351474291 433520408 /nfs/dbraw/zinc/52/04/08/433520408.db2.gz YFNGYTGSJPODOG-SFHVURJKSA-N 2 2 324.472 3.105 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381511 433524468 /nfs/dbraw/zinc/52/44/68/433524468.db2.gz WWCIAJXUFFYZAX-WMZOPIPTSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381511 433524476 /nfs/dbraw/zinc/52/44/76/433524476.db2.gz WWCIAJXUFFYZAX-WMZOPIPTSA-N 2 2 302.462 3.107 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000414299683 433524882 /nfs/dbraw/zinc/52/48/82/433524882.db2.gz IEVMBFODGLIXRG-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000351485023 433527283 /nfs/dbraw/zinc/52/72/83/433527283.db2.gz WYYHBVPIFVXWTO-UHFFFAOYSA-N 2 2 319.836 3.234 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Br)[NH+](C)C ZINC000342191298 433530185 /nfs/dbraw/zinc/53/01/85/433530185.db2.gz KVBFOLHWUWVHIM-WDEREUQCSA-N 2 2 317.246 3.059 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355208315 433538579 /nfs/dbraw/zinc/53/85/79/433538579.db2.gz HDMDUGMYFKOLAS-APWZRJJASA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355208315 433538586 /nfs/dbraw/zinc/53/85/86/433538586.db2.gz HDMDUGMYFKOLAS-APWZRJJASA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000355208315 433538590 /nfs/dbraw/zinc/53/85/90/433538590.db2.gz HDMDUGMYFKOLAS-APWZRJJASA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000355208315 433538594 /nfs/dbraw/zinc/53/85/94/433538594.db2.gz HDMDUGMYFKOLAS-APWZRJJASA-N 2 2 314.473 3.452 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCCC34CCOCC4)[nH]c2c1 ZINC000282233788 433539657 /nfs/dbraw/zinc/53/96/57/433539657.db2.gz POAHGXYZRLZGEY-KRWDZBQOSA-N 2 2 313.445 3.434 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1O ZINC000426418936 433491716 /nfs/dbraw/zinc/49/17/16/433491716.db2.gz YYMQJIYDPDZSLK-NVXWUHKLSA-N 2 2 322.493 3.288 20 0 DGADLP CCc1nocc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000339291093 433499506 /nfs/dbraw/zinc/49/95/06/433499506.db2.gz VHPOZFZQWCUAJD-HNNXBMFYSA-N 2 2 301.434 3.237 20 0 DGADLP CCc1nocc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000339291093 433499516 /nfs/dbraw/zinc/49/95/16/433499516.db2.gz VHPOZFZQWCUAJD-HNNXBMFYSA-N 2 2 301.434 3.237 20 0 DGADLP c1onc(Cc2ccccc2)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000339294212 433506588 /nfs/dbraw/zinc/50/65/88/433506588.db2.gz XWLBGMMHVDXIOT-UHFFFAOYSA-N 2 2 322.412 3.252 20 0 DGADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522744 433549476 /nfs/dbraw/zinc/54/94/76/433549476.db2.gz ZKZWLEQNQBMZOL-YJBOKZPZSA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522744 433549485 /nfs/dbraw/zinc/54/94/85/433549485.db2.gz ZKZWLEQNQBMZOL-YJBOKZPZSA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@@H](c1ccccc1Cl)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351522744 433549500 /nfs/dbraw/zinc/54/95/00/433549500.db2.gz ZKZWLEQNQBMZOL-YJBOKZPZSA-N 2 2 324.896 3.424 20 0 DGADLP CCn1cc[nH+]c1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375740782 433550390 /nfs/dbraw/zinc/55/03/90/433550390.db2.gz GNQCPZNHOFYPNJ-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc[nH+]c1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375740782 433550399 /nfs/dbraw/zinc/55/03/99/433550399.db2.gz GNQCPZNHOFYPNJ-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522742 433550710 /nfs/dbraw/zinc/55/07/10/433550710.db2.gz ZKZWLEQNQBMZOL-QAPCUYQASA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522742 433550714 /nfs/dbraw/zinc/55/07/14/433550714.db2.gz ZKZWLEQNQBMZOL-QAPCUYQASA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@@H](c1ccccc1Cl)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351522742 433550728 /nfs/dbraw/zinc/55/07/28/433550728.db2.gz ZKZWLEQNQBMZOL-QAPCUYQASA-N 2 2 324.896 3.424 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532446 433554310 /nfs/dbraw/zinc/55/43/10/433554310.db2.gz GXNUYODJLLMXQM-LEWJYISDSA-N 2 2 324.468 3.129 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532446 433554326 /nfs/dbraw/zinc/55/43/26/433554326.db2.gz GXNUYODJLLMXQM-LEWJYISDSA-N 2 2 324.468 3.129 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)n1C ZINC000414341324 433555482 /nfs/dbraw/zinc/55/54/82/433555482.db2.gz OCIYJDBCNMMRHH-UHFFFAOYSA-N 2 2 306.841 3.164 20 0 DGADLP CCc1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000342233543 433556330 /nfs/dbraw/zinc/55/63/30/433556330.db2.gz QHZKNIUDZXXLNY-DLBZAZTESA-N 2 2 316.493 3.438 20 0 DGADLP CCc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000342233543 433556338 /nfs/dbraw/zinc/55/63/38/433556338.db2.gz QHZKNIUDZXXLNY-DLBZAZTESA-N 2 2 316.493 3.438 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414348757 433559105 /nfs/dbraw/zinc/55/91/05/433559105.db2.gz XQTRBDQWYHRMAH-FJXLLPKBSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000414348757 433559116 /nfs/dbraw/zinc/55/91/16/433559116.db2.gz XQTRBDQWYHRMAH-FJXLLPKBSA-N 2 2 300.446 3.014 20 0 DGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301528056 433593801 /nfs/dbraw/zinc/59/38/01/433593801.db2.gz GRIYRYXWUCTKPE-ZDUSSCGKSA-N 2 2 301.356 3.411 20 0 DGADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301528056 433593810 /nfs/dbraw/zinc/59/38/10/433593810.db2.gz GRIYRYXWUCTKPE-ZDUSSCGKSA-N 2 2 301.356 3.411 20 0 DGADLP c1ccc(C[C@H]2C[C@@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000414357709 433567371 /nfs/dbraw/zinc/56/73/71/433567371.db2.gz JZKAPSCLEUXFTJ-RXVVDRJESA-N 2 2 321.468 3.267 20 0 DGADLP COc1ccsc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351562952 433575556 /nfs/dbraw/zinc/57/55/56/433575556.db2.gz DYBJTRUAWHVTIL-UHFFFAOYSA-N 2 2 300.387 3.009 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426754562 433582026 /nfs/dbraw/zinc/58/20/26/433582026.db2.gz RFWHJZXLGVDNOR-UHFFFAOYSA-N 3 2 306.498 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426754562 433582032 /nfs/dbraw/zinc/58/20/32/433582032.db2.gz RFWHJZXLGVDNOR-UHFFFAOYSA-N 3 2 306.498 3.168 20 0 DGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384138 433587943 /nfs/dbraw/zinc/58/79/43/433587943.db2.gz BLRVPIBVMDHJOR-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384138 433587948 /nfs/dbraw/zinc/58/79/48/433587948.db2.gz BLRVPIBVMDHJOR-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384138 433587958 /nfs/dbraw/zinc/58/79/58/433587958.db2.gz BLRVPIBVMDHJOR-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384138 433587964 /nfs/dbraw/zinc/58/79/64/433587964.db2.gz BLRVPIBVMDHJOR-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000282383789 433589125 /nfs/dbraw/zinc/58/91/25/433589125.db2.gz XDNVBGZVCGICQN-APWZRJJASA-N 2 2 313.445 3.226 20 0 DGADLP COC1(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339445739 433591110 /nfs/dbraw/zinc/59/11/10/433591110.db2.gz ZNUXZBPGURFYNI-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339445739 433591124 /nfs/dbraw/zinc/59/11/24/433591124.db2.gz ZNUXZBPGURFYNI-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000339386363 433546947 /nfs/dbraw/zinc/54/69/47/433546947.db2.gz BMALMCSJDCCUFU-HNNXBMFYSA-N 2 2 311.389 3.027 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000414455199 433628365 /nfs/dbraw/zinc/62/83/65/433628365.db2.gz SGSITVULYVXJFI-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000414455199 433628371 /nfs/dbraw/zinc/62/83/71/433628371.db2.gz SGSITVULYVXJFI-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP Clc1ccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000362300806 433632632 /nfs/dbraw/zinc/63/26/32/433632632.db2.gz WUBPYGGWSMYEOT-QGZVFWFLSA-N 2 2 302.805 3.431 20 0 DGADLP Clc1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000362300806 433632641 /nfs/dbraw/zinc/63/26/41/433632641.db2.gz WUBPYGGWSMYEOT-QGZVFWFLSA-N 2 2 302.805 3.431 20 0 DGADLP CC(C)c1ccc(CCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414398500 433598193 /nfs/dbraw/zinc/59/81/93/433598193.db2.gz WAALHPBTAVWXNV-UHFFFAOYSA-N 2 2 314.477 3.332 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c[nH+]1 ZINC000356512012 433599380 /nfs/dbraw/zinc/59/93/80/433599380.db2.gz YHDMDRPUMUAQMP-MRXNPFEDSA-N 2 2 304.825 3.120 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c[nH+]1 ZINC000356512012 433599393 /nfs/dbraw/zinc/59/93/93/433599393.db2.gz YHDMDRPUMUAQMP-MRXNPFEDSA-N 2 2 304.825 3.120 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1ccncc1 ZINC000351595670 433601189 /nfs/dbraw/zinc/60/11/89/433601189.db2.gz RRZCQONDVOWPQC-HXUWFJFHSA-N 2 2 311.473 3.370 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1ccncc1 ZINC000351595670 433601199 /nfs/dbraw/zinc/60/11/99/433601199.db2.gz RRZCQONDVOWPQC-HXUWFJFHSA-N 2 2 311.473 3.370 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000351604163 433610926 /nfs/dbraw/zinc/61/09/26/433610926.db2.gz VJFRCXJJHKPBGU-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000351604163 433610936 /nfs/dbraw/zinc/61/09/36/433610936.db2.gz VJFRCXJJHKPBGU-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000351604163 433610945 /nfs/dbraw/zinc/61/09/45/433610945.db2.gz VJFRCXJJHKPBGU-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000351604163 433610952 /nfs/dbraw/zinc/61/09/52/433610952.db2.gz VJFRCXJJHKPBGU-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000293000757 433610854 /nfs/dbraw/zinc/61/08/54/433610854.db2.gz NUWPGODRVXNVOR-CYBMUJFWSA-N 2 2 305.447 3.256 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427113963 433657464 /nfs/dbraw/zinc/65/74/64/433657464.db2.gz KFNXZMGTUXJYJT-WCQYABFASA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427113963 433657466 /nfs/dbraw/zinc/65/74/66/433657466.db2.gz KFNXZMGTUXJYJT-WCQYABFASA-N 2 2 316.779 3.125 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)sc1Br ZINC000427140770 433659367 /nfs/dbraw/zinc/65/93/67/433659367.db2.gz UYYYFZLEWDHGFU-CMPLNLGQSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)sc1Br ZINC000427140770 433659380 /nfs/dbraw/zinc/65/93/80/433659380.db2.gz UYYYFZLEWDHGFU-CMPLNLGQSA-N 2 2 315.280 3.003 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000376087048 433662721 /nfs/dbraw/zinc/66/27/21/433662721.db2.gz WNPXLLCTKFTPJW-RYRKJORJSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000376087048 433662730 /nfs/dbraw/zinc/66/27/30/433662730.db2.gz WNPXLLCTKFTPJW-RYRKJORJSA-N 2 2 316.493 3.053 20 0 DGADLP Cc1nc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000351714311 433683930 /nfs/dbraw/zinc/68/39/30/433683930.db2.gz CGTUTDASOUWSKY-CQSZACIVSA-N 2 2 306.454 3.027 20 0 DGADLP Cc1nc(NCCCc2[nH+]c3ccccc3n2C)c(C)c(C)[nH+]1 ZINC000301715200 433689854 /nfs/dbraw/zinc/68/98/54/433689854.db2.gz ZVBDFEYLOHTEPG-UHFFFAOYSA-N 2 2 309.417 3.333 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427101491 433651008 /nfs/dbraw/zinc/65/10/08/433651008.db2.gz QXJDNMQDTZAUQR-IEBWSBKVSA-N 2 2 322.456 3.033 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427101491 433651017 /nfs/dbraw/zinc/65/10/17/433651017.db2.gz QXJDNMQDTZAUQR-IEBWSBKVSA-N 2 2 322.456 3.033 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000366920528 293004774 /nfs/dbraw/zinc/00/47/74/293004774.db2.gz GLFWTHLNHVDWAN-CQSZACIVSA-N 2 2 310.376 3.097 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000366920528 293004777 /nfs/dbraw/zinc/00/47/77/293004777.db2.gz GLFWTHLNHVDWAN-CQSZACIVSA-N 2 2 310.376 3.097 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427100555 433651471 /nfs/dbraw/zinc/65/14/71/433651471.db2.gz LMJWVBSOCXGIMC-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427100555 433651481 /nfs/dbraw/zinc/65/14/81/433651481.db2.gz LMJWVBSOCXGIMC-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1nc(CC[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000362402755 433697292 /nfs/dbraw/zinc/69/72/92/433697292.db2.gz RFNMDDRIFMWNIM-MRXNPFEDSA-N 2 2 316.474 3.274 20 0 DGADLP Cc1nc(CC[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000362402755 433697300 /nfs/dbraw/zinc/69/73/00/433697300.db2.gz RFNMDDRIFMWNIM-MRXNPFEDSA-N 2 2 316.474 3.274 20 0 DGADLP c1csc([C@@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+]2CCCC2)c1 ZINC000367259928 293044915 /nfs/dbraw/zinc/04/49/15/293044915.db2.gz LCHGLYPIIWMUOW-WBVHZDCISA-N 2 2 320.502 3.434 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367408081 293068346 /nfs/dbraw/zinc/06/83/46/293068346.db2.gz NUMDOFVYGBGTLV-HNNXBMFYSA-N 2 2 315.392 3.144 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367435974 293071551 /nfs/dbraw/zinc/07/15/51/293071551.db2.gz DGMNMGOTSSWBBF-ZDUSSCGKSA-N 2 2 312.417 3.029 20 0 DGADLP C[C@H](CCc1ccccc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439735 293073521 /nfs/dbraw/zinc/07/35/21/293073521.db2.gz WPXAMOOCZFRWEZ-CQSZACIVSA-N 2 2 301.409 3.469 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000372983148 293247577 /nfs/dbraw/zinc/24/75/77/293247577.db2.gz RVSHLVVYPLQPJK-UHFFFAOYSA-N 2 2 318.461 3.019 20 0 DGADLP c1c(CC[NH2+][C@H](c2cccnc2)C2CCC2)[nH+]c2n1CCCC2 ZINC000373611752 293297206 /nfs/dbraw/zinc/29/72/06/293297206.db2.gz PSRDCOJPBJCKPR-IBGZPJMESA-N 2 2 310.445 3.288 20 0 DGADLP Fc1cncc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)c1 ZINC000374230861 293369425 /nfs/dbraw/zinc/36/94/25/293369425.db2.gz ODMFCRPYHOWDGM-GOSISDBHSA-N 2 2 314.408 3.037 20 0 DGADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(C)C ZINC000356829127 433719127 /nfs/dbraw/zinc/71/91/27/433719127.db2.gz CVUQZKLVKGHQIW-FPMFFAJLSA-N 2 2 322.415 3.052 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000449388228 433736900 /nfs/dbraw/zinc/73/69/00/433736900.db2.gz OQTILPHKEKXCBD-VAMGGRTRSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000449388228 433736907 /nfs/dbraw/zinc/73/69/07/433736907.db2.gz OQTILPHKEKXCBD-VAMGGRTRSA-N 2 2 316.489 3.149 20 0 DGADLP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000449387396 433739441 /nfs/dbraw/zinc/73/94/41/433739441.db2.gz LKEYLNIYDSOFOX-MOPGFXCFSA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000449387396 433739450 /nfs/dbraw/zinc/73/94/50/433739450.db2.gz LKEYLNIYDSOFOX-MOPGFXCFSA-N 2 2 304.478 3.007 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCc4cccnc4CC3)[nH]c2c1 ZINC000421824070 433746880 /nfs/dbraw/zinc/74/68/80/433746880.db2.gz GWPSFGGRZHKFCY-MRXNPFEDSA-N 2 2 320.440 3.428 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccncc1Cl)CCC2 ZINC000421830479 433752126 /nfs/dbraw/zinc/75/21/26/433752126.db2.gz KAGSJTZPRAKXGI-OLZOCXBDSA-N 2 2 304.825 3.468 20 0 DGADLP COc1cc2c(cc1Cl)C[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000339734725 433756455 /nfs/dbraw/zinc/75/64/55/433756455.db2.gz YNNIQHFHZJIEMV-HNNXBMFYSA-N 2 2 308.853 3.191 20 0 DGADLP COc1cc2c(cc1Cl)C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000339734725 433756463 /nfs/dbraw/zinc/75/64/63/433756463.db2.gz YNNIQHFHZJIEMV-HNNXBMFYSA-N 2 2 308.853 3.191 20 0 DGADLP COc1cc2c(cc1Cl)C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000339734725 433756468 /nfs/dbraw/zinc/75/64/68/433756468.db2.gz YNNIQHFHZJIEMV-HNNXBMFYSA-N 2 2 308.853 3.191 20 0 DGADLP COc1cc2c(cc1Cl)C[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000339734725 433756475 /nfs/dbraw/zinc/75/64/75/433756475.db2.gz YNNIQHFHZJIEMV-HNNXBMFYSA-N 2 2 308.853 3.191 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351862330 433760015 /nfs/dbraw/zinc/76/00/15/433760015.db2.gz OJTLBBGUWZOTHU-GOSISDBHSA-N 2 2 301.478 3.073 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351862330 433760023 /nfs/dbraw/zinc/76/00/23/433760023.db2.gz OJTLBBGUWZOTHU-GOSISDBHSA-N 2 2 301.478 3.073 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2sc(C)cc2Br)C1 ZINC000414657375 433772940 /nfs/dbraw/zinc/77/29/40/433772940.db2.gz OPOFBBWHIURAHX-LLVKDONJSA-N 2 2 317.296 3.250 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC000414657375 433772948 /nfs/dbraw/zinc/77/29/48/433772948.db2.gz OPOFBBWHIURAHX-LLVKDONJSA-N 2 2 317.296 3.250 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000414657313 433773520 /nfs/dbraw/zinc/77/35/20/433773520.db2.gz OHNIDWWYCXRNQH-ACJLOTCBSA-N 2 2 316.424 3.022 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000414657313 433773527 /nfs/dbraw/zinc/77/35/27/433773527.db2.gz OHNIDWWYCXRNQH-ACJLOTCBSA-N 2 2 316.424 3.022 20 0 DGADLP Fc1ccc(COc2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000414658700 433773710 /nfs/dbraw/zinc/77/37/10/433773710.db2.gz RDBABRZAJJVVAR-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP Fc1ccc(COc2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000414658700 433773722 /nfs/dbraw/zinc/77/37/22/433773722.db2.gz RDBABRZAJJVVAR-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421854537 433774920 /nfs/dbraw/zinc/77/49/20/433774920.db2.gz LQNZYTDZSDONPX-SJLPKXTDSA-N 2 2 301.478 3.039 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421854537 433774926 /nfs/dbraw/zinc/77/49/26/433774926.db2.gz LQNZYTDZSDONPX-SJLPKXTDSA-N 2 2 301.478 3.039 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000375266720 293504476 /nfs/dbraw/zinc/50/44/76/293504476.db2.gz GYJPWNLFGODSDS-GFCCVEGCSA-N 2 2 303.381 3.218 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971929 433793214 /nfs/dbraw/zinc/79/32/14/433793214.db2.gz BRDDQEPVZQKGEG-AEFFLSMTSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971929 433793222 /nfs/dbraw/zinc/79/32/22/433793222.db2.gz BRDDQEPVZQKGEG-AEFFLSMTSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000356971929 433793232 /nfs/dbraw/zinc/79/32/32/433793232.db2.gz BRDDQEPVZQKGEG-AEFFLSMTSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000356971929 433793242 /nfs/dbraw/zinc/79/32/42/433793242.db2.gz BRDDQEPVZQKGEG-AEFFLSMTSA-N 2 2 313.445 3.498 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293602341 433798546 /nfs/dbraw/zinc/79/85/46/433798546.db2.gz JJSQWBKZYWKSQI-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293602341 433798554 /nfs/dbraw/zinc/79/85/54/433798554.db2.gz JJSQWBKZYWKSQI-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OC ZINC000293602341 433798560 /nfs/dbraw/zinc/79/85/60/433798560.db2.gz JJSQWBKZYWKSQI-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OC ZINC000293602341 433798568 /nfs/dbraw/zinc/79/85/68/433798568.db2.gz JJSQWBKZYWKSQI-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP Cc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc(C)[nH+]1 ZINC000421919410 433805375 /nfs/dbraw/zinc/80/53/75/433805375.db2.gz MLCUFYNRUXFJHE-SFHVURJKSA-N 2 2 315.461 3.112 20 0 DGADLP Cc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc(C)[nH+]1 ZINC000421919410 433805381 /nfs/dbraw/zinc/80/53/81/433805381.db2.gz MLCUFYNRUXFJHE-SFHVURJKSA-N 2 2 315.461 3.112 20 0 DGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000414709008 433806174 /nfs/dbraw/zinc/80/61/74/433806174.db2.gz QTTGESCGNADTNH-UHFFFAOYSA-N 2 2 300.450 3.130 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1OC ZINC000414773127 433825149 /nfs/dbraw/zinc/82/51/49/433825149.db2.gz WGXLSOWBMHXQTM-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1OC ZINC000414773127 433825159 /nfs/dbraw/zinc/82/51/59/433825159.db2.gz WGXLSOWBMHXQTM-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000414741844 433813286 /nfs/dbraw/zinc/81/32/86/433813286.db2.gz LDURRMJMKNCRNR-UHFFFAOYSA-N 2 2 308.441 3.195 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000414741844 433813291 /nfs/dbraw/zinc/81/32/91/433813291.db2.gz LDURRMJMKNCRNR-UHFFFAOYSA-N 2 2 308.441 3.195 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1OC ZINC000414773125 433825256 /nfs/dbraw/zinc/82/52/56/433825256.db2.gz WGXLSOWBMHXQTM-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1OC ZINC000414773125 433825267 /nfs/dbraw/zinc/82/52/67/433825267.db2.gz WGXLSOWBMHXQTM-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP COc1cccc(C2(F)CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414757302 433816415 /nfs/dbraw/zinc/81/64/15/433816415.db2.gz ANEHNQRFUJEUKC-INIZCTEOSA-N 2 2 308.441 3.329 20 0 DGADLP COc1ccccc1COC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414758989 433819167 /nfs/dbraw/zinc/81/91/67/433819167.db2.gz VXHXQUVYNJDPQM-UHFFFAOYSA-N 2 2 320.477 3.064 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000357122615 433873133 /nfs/dbraw/zinc/87/31/33/433873133.db2.gz JTJKUHWWYWWJJI-ZDUSSCGKSA-N 2 2 314.433 3.490 20 0 DGADLP CC1CC[NH+](C2CCC(Nc3nc[nH+]c(N)c3Cl)CC2)CC1 ZINC000302821483 433873249 /nfs/dbraw/zinc/87/32/49/433873249.db2.gz DLMIWWOSNAFOSO-UHFFFAOYSA-N 2 2 323.872 3.167 20 0 DGADLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc(Cl)c1OC ZINC000414836582 433874122 /nfs/dbraw/zinc/87/41/22/433874122.db2.gz SYOFYERFUDNEOV-HNNXBMFYSA-N 2 2 320.820 3.147 20 0 DGADLP CCOc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414844739 433877120 /nfs/dbraw/zinc/87/71/20/433877120.db2.gz LHCXQINXMXVDJM-GOSISDBHSA-N 2 2 313.445 3.393 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435623808 433877173 /nfs/dbraw/zinc/87/71/73/433877173.db2.gz DKBRMEJNPAPUNA-GOSISDBHSA-N 2 2 318.461 3.252 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435623808 433877185 /nfs/dbraw/zinc/87/71/85/433877185.db2.gz DKBRMEJNPAPUNA-GOSISDBHSA-N 2 2 318.461 3.252 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@@H+]1Cc1ccccc1 ZINC000362710436 433830440 /nfs/dbraw/zinc/83/04/40/433830440.db2.gz JOLHZGHOUQPAPI-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@H+]1Cc1ccccc1 ZINC000362710436 433830445 /nfs/dbraw/zinc/83/04/45/433830445.db2.gz JOLHZGHOUQPAPI-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP COc1cc(C)c(C[NH2+]CC[NH2+]C2CCCCCC2)cc1OC ZINC000414802988 433844626 /nfs/dbraw/zinc/84/46/26/433844626.db2.gz IUWCJUQADIBAOM-UHFFFAOYSA-N 2 2 320.477 3.414 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000284145452 433845269 /nfs/dbraw/zinc/84/52/69/433845269.db2.gz ZATFGLKIJAOPNJ-UHFFFAOYSA-N 2 2 317.286 3.019 20 0 DGADLP CC(=O)Nc1ccccc1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414805656 433847680 /nfs/dbraw/zinc/84/76/80/433847680.db2.gz MDACJHAGVLDUCS-UHFFFAOYSA-N 2 2 303.450 3.047 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(CC)CC ZINC000344082495 433848023 /nfs/dbraw/zinc/84/80/23/433848023.db2.gz IHTBBKQBXCOVJJ-SJORKVTESA-N 2 2 319.493 3.335 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(OC)ccc1Br ZINC000414807051 433848970 /nfs/dbraw/zinc/84/89/70/433848970.db2.gz CDLXYDPMOQDRLI-GFCCVEGCSA-N 2 2 315.255 3.065 20 0 DGADLP Cc1nnsc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000293738057 433849247 /nfs/dbraw/zinc/84/92/47/433849247.db2.gz QOZWEHVZLJOAHW-NSHDSACASA-N 2 2 313.430 3.191 20 0 DGADLP Clc1ccc2[nH+]cc(CNCC[NH2+]C3CCCCCC3)n2c1 ZINC000414812889 433855849 /nfs/dbraw/zinc/85/58/49/433855849.db2.gz QASXGVUKWDZBLF-UHFFFAOYSA-N 2 2 320.868 3.390 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Br)c(OC)s1 ZINC000414816725 433859109 /nfs/dbraw/zinc/85/91/09/433859109.db2.gz QHNMMFMYIVZMCF-VIFPVBQESA-N 2 2 321.284 3.126 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000414816380 433860948 /nfs/dbraw/zinc/86/09/48/433860948.db2.gz PRIRDYLKCZVOAQ-LBPRGKRZSA-N 2 2 303.219 3.195 20 0 DGADLP CCCn1c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)nc2ccccc21 ZINC000414824860 433861275 /nfs/dbraw/zinc/86/12/75/433861275.db2.gz BHNQBQPOLFKURA-MRXNPFEDSA-N 2 2 308.429 3.236 20 0 DGADLP C[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000414823240 433862852 /nfs/dbraw/zinc/86/28/52/433862852.db2.gz HPYDPRPBMZRGHE-UHFFFAOYSA-N 2 2 320.440 3.157 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000414822232 433863287 /nfs/dbraw/zinc/86/32/87/433863287.db2.gz DKDMFXLBNIXDEF-KRWDZBQOSA-N 2 2 312.413 3.328 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000414831211 433865554 /nfs/dbraw/zinc/86/55/54/433865554.db2.gz MVMQRXWJRPXFMC-QGZVFWFLSA-N 2 2 314.429 3.274 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799998 433865679 /nfs/dbraw/zinc/86/56/79/433865679.db2.gz ATGTVXUCJQYGMB-SUMWQHHRSA-N 2 2 311.385 3.010 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799998 433865688 /nfs/dbraw/zinc/86/56/88/433865688.db2.gz ATGTVXUCJQYGMB-SUMWQHHRSA-N 2 2 311.385 3.010 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414833682 433866576 /nfs/dbraw/zinc/86/65/76/433866576.db2.gz PTUITSAUTQCDKG-YOEHRIQHSA-N 2 2 308.429 3.174 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414833673 433868430 /nfs/dbraw/zinc/86/84/30/433868430.db2.gz PTUITSAUTQCDKG-PBHICJAKSA-N 2 2 308.429 3.174 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc3c[nH+]cn3c2)[nH+]1 ZINC000339958131 433871635 /nfs/dbraw/zinc/87/16/35/433871635.db2.gz WLGAMINXUDSEEH-UHFFFAOYSA-N 2 2 317.352 3.285 20 0 DGADLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1OC(C)C ZINC000414836456 433872633 /nfs/dbraw/zinc/87/26/33/433872633.db2.gz SMZGAXICYUWEGD-KRWDZBQOSA-N 2 2 314.429 3.272 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000414876660 433899936 /nfs/dbraw/zinc/89/99/36/433899936.db2.gz DSDCLHRDXTZFKZ-RBUKOAKNSA-N 2 2 314.404 3.070 20 0 DGADLP Clc1ccccc1COc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414886100 433901706 /nfs/dbraw/zinc/90/17/06/433901706.db2.gz PVYDLDRKKFFSOO-MRXNPFEDSA-N 2 2 316.832 3.371 20 0 DGADLP C[C@]1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCC[NH2+]C1 ZINC000414896696 433905567 /nfs/dbraw/zinc/90/55/67/433905567.db2.gz CNLYTAOCUWWXEP-HNNXBMFYSA-N 2 2 307.488 3.351 20 0 DGADLP CC(C)c1nc(N2CC[C@@H](C[NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302917184 433909241 /nfs/dbraw/zinc/90/92/41/433909241.db2.gz WRXILOYPDUJFIA-AWEZNQCLSA-N 2 2 304.482 3.285 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@H]1C[NH3+] ZINC000422559471 433918535 /nfs/dbraw/zinc/91/85/35/433918535.db2.gz DDDAIYGMTQEZPU-JHJVBQTASA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@H]1C[NH3+] ZINC000422559471 433918542 /nfs/dbraw/zinc/91/85/42/433918542.db2.gz DDDAIYGMTQEZPU-JHJVBQTASA-N 2 2 320.868 3.032 20 0 DGADLP C[C@H](C[NH3+])[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414927061 433919820 /nfs/dbraw/zinc/91/98/20/433919820.db2.gz KUTQMOVRAXNTMP-GFCCVEGCSA-N 2 2 320.868 3.395 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414928861 433922556 /nfs/dbraw/zinc/92/25/56/433922556.db2.gz NPDRWWFKEMBKRV-CQSZACIVSA-N 2 2 318.490 3.141 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000414938189 433927532 /nfs/dbraw/zinc/92/75/32/433927532.db2.gz DYNHNFKJGXRJTN-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296042 433928915 /nfs/dbraw/zinc/92/89/15/433928915.db2.gz QRORFDPPPDYUSY-SJLPKXTDSA-N 2 2 323.525 3.020 20 0 DGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436296042 433928922 /nfs/dbraw/zinc/92/89/22/433928922.db2.gz QRORFDPPPDYUSY-SJLPKXTDSA-N 2 2 323.525 3.020 20 0 DGADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccs2)cc1F ZINC000414943615 433930577 /nfs/dbraw/zinc/93/05/77/433930577.db2.gz FPCZILBKJRGDQN-CZUORRHYSA-N 2 2 308.397 3.262 20 0 DGADLP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2)cc1F ZINC000414946983 433931176 /nfs/dbraw/zinc/93/11/76/433931176.db2.gz KEDIVAXCDUGBDP-QAPCUYQASA-N 2 2 302.368 3.200 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000414943624 433931477 /nfs/dbraw/zinc/93/14/77/433931477.db2.gz FPIUKPYRJUPACA-SMDDNHRTSA-N 2 2 305.422 3.179 20 0 DGADLP CCOc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414942678 433932363 /nfs/dbraw/zinc/93/23/63/433932363.db2.gz KMXFAVZYZQVPRW-HNNXBMFYSA-N 2 2 314.429 3.101 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(Cl)c1OC ZINC000414841141 433879741 /nfs/dbraw/zinc/87/97/41/433879741.db2.gz XXJBCOAGXXUGGQ-AWEZNQCLSA-N 2 2 320.820 3.147 20 0 DGADLP Cc1[nH]nc2ncc(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)cc12 ZINC000414854205 433883542 /nfs/dbraw/zinc/88/35/42/433883542.db2.gz YTSSNCNRUGGGRQ-GOSISDBHSA-N 2 2 323.444 3.179 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1CCCCC1 ZINC000414853704 433884057 /nfs/dbraw/zinc/88/40/57/433884057.db2.gz STLJBEHBWKPBHH-SFHVURJKSA-N 2 2 316.424 3.009 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293844703 433891522 /nfs/dbraw/zinc/89/15/22/433891522.db2.gz CGMZXBNNUZFVIT-KCITZHQASA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293844703 433891527 /nfs/dbraw/zinc/89/15/27/433891527.db2.gz CGMZXBNNUZFVIT-KCITZHQASA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414862981 433892217 /nfs/dbraw/zinc/89/22/17/433892217.db2.gz XTEHRGNVRZGUQY-ZFWWWQNUSA-N 2 2 301.459 3.288 20 0 DGADLP COc1ccc(Oc2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000414865780 433892253 /nfs/dbraw/zinc/89/22/53/433892253.db2.gz MBYXQRFDHBXJMT-INIZCTEOSA-N 2 2 312.413 3.329 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422700324 433942495 /nfs/dbraw/zinc/94/24/95/433942495.db2.gz GMTGERDCAAMJMG-HZPDHXFCSA-N 3 2 314.477 3.396 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422711536 433943626 /nfs/dbraw/zinc/94/36/26/433943626.db2.gz HBWJEPRUBFEXOT-NWDGAFQWSA-N 2 2 303.631 3.072 20 0 DGADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414964838 433943918 /nfs/dbraw/zinc/94/39/18/433943918.db2.gz YMPWTGRGDIJKFI-QGZVFWFLSA-N 2 2 318.367 3.265 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414964169 433946889 /nfs/dbraw/zinc/94/68/89/433946889.db2.gz YHGXKOIBGOLULS-BXKDBHETSA-N 2 2 304.768 3.172 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000414969776 433947014 /nfs/dbraw/zinc/94/70/14/433947014.db2.gz UAZQFQBWVVKCJD-JXFKEZNVSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000414969776 433947024 /nfs/dbraw/zinc/94/70/24/433947024.db2.gz UAZQFQBWVVKCJD-JXFKEZNVSA-N 2 2 309.457 3.187 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000422728122 433956270 /nfs/dbraw/zinc/95/62/70/433956270.db2.gz FDDQZSYKDVQXDE-IFXJQAMLSA-N 2 2 312.461 3.010 20 0 DGADLP CCc1ccc([C@@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000422728122 433956282 /nfs/dbraw/zinc/95/62/82/433956282.db2.gz FDDQZSYKDVQXDE-IFXJQAMLSA-N 2 2 312.461 3.010 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cnn1C ZINC000340176401 433956646 /nfs/dbraw/zinc/95/66/46/433956646.db2.gz XYPIAMZYWHRBSC-UCLAIMLFSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cnn1C ZINC000340176401 433956657 /nfs/dbraw/zinc/95/66/57/433956657.db2.gz XYPIAMZYWHRBSC-UCLAIMLFSA-N 2 2 312.461 3.215 20 0 DGADLP C[N@H+](Cc1ccccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486531 433968942 /nfs/dbraw/zinc/96/89/42/433968942.db2.gz LSXWIVGAAMIAIT-YIONKMFJSA-N 2 2 310.388 3.345 20 0 DGADLP C[N@@H+](Cc1ccccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486531 433968946 /nfs/dbraw/zinc/96/89/46/433968946.db2.gz LSXWIVGAAMIAIT-YIONKMFJSA-N 2 2 310.388 3.345 20 0 DGADLP C[NH+](Cc1ccccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285486531 433968948 /nfs/dbraw/zinc/96/89/48/433968948.db2.gz LSXWIVGAAMIAIT-YIONKMFJSA-N 2 2 310.388 3.345 20 0 DGADLP C[NH+](Cc1ccccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285486531 433968949 /nfs/dbraw/zinc/96/89/49/433968949.db2.gz LSXWIVGAAMIAIT-YIONKMFJSA-N 2 2 310.388 3.345 20 0 DGADLP COc1cccc2c(NC[C@@]3([NH+](C)C)CCSC3)cc[nH+]c12 ZINC000436448944 433969831 /nfs/dbraw/zinc/96/98/31/433969831.db2.gz DSXPFHRBBCGGQM-KRWDZBQOSA-N 2 2 317.458 3.093 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000422746433 433970803 /nfs/dbraw/zinc/97/08/03/433970803.db2.gz WLMKCTWEGVFMRN-FXAWDEMLSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422751028 433971870 /nfs/dbraw/zinc/97/18/70/433971870.db2.gz BVHUUMVRVIHIBD-LMMKCTJWSA-N 3 2 317.521 3.045 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751028 433971881 /nfs/dbraw/zinc/97/18/81/433971881.db2.gz BVHUUMVRVIHIBD-LMMKCTJWSA-N 3 2 317.521 3.045 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340191424 433972969 /nfs/dbraw/zinc/97/29/69/433972969.db2.gz PONMRPAHXBONSD-OALUTQOASA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340191424 433972983 /nfs/dbraw/zinc/97/29/83/433972983.db2.gz PONMRPAHXBONSD-OALUTQOASA-N 3 2 312.461 3.007 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422749231 433974043 /nfs/dbraw/zinc/97/40/43/433974043.db2.gz YDPUXCYFHJYBNI-LSTHTHJFSA-N 3 2 315.505 3.462 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422751027 433974214 /nfs/dbraw/zinc/97/42/14/433974214.db2.gz BVHUUMVRVIHIBD-AOIWGVFYSA-N 3 2 317.521 3.045 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751027 433974221 /nfs/dbraw/zinc/97/42/21/433974221.db2.gz BVHUUMVRVIHIBD-AOIWGVFYSA-N 3 2 317.521 3.045 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191401 433974985 /nfs/dbraw/zinc/97/49/85/433974985.db2.gz OGIFORMUVVMSHR-YZGWKJHDSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191401 433974994 /nfs/dbraw/zinc/97/49/94/433974994.db2.gz OGIFORMUVVMSHR-YZGWKJHDSA-N 3 2 315.505 3.143 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422764227 433981991 /nfs/dbraw/zinc/98/19/91/433981991.db2.gz PPNDISALYRLYQX-UXHICEINSA-N 2 2 316.489 3.099 20 0 DGADLP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422764776 433982189 /nfs/dbraw/zinc/98/21/89/433982189.db2.gz QHNBZJWLSXKPJT-MBNYWOFBSA-N 2 2 316.367 3.203 20 0 DGADLP C[N@H+](Cc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285406755 433937565 /nfs/dbraw/zinc/93/75/65/433937565.db2.gz FPQFFXSDOPXUPP-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP C[N@@H+](Cc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285406755 433937571 /nfs/dbraw/zinc/93/75/71/433937571.db2.gz FPQFFXSDOPXUPP-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP C[NH+](Cc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285406755 433937579 /nfs/dbraw/zinc/93/75/79/433937579.db2.gz FPQFFXSDOPXUPP-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP C[NH+](Cc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285406755 433937586 /nfs/dbraw/zinc/93/75/86/433937586.db2.gz FPQFFXSDOPXUPP-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)c2ccccc21 ZINC000422705115 433938243 /nfs/dbraw/zinc/93/82/43/433938243.db2.gz QXBJAFWCGFLTRM-CRAIPNDOSA-N 3 2 306.413 3.230 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414961577 433940659 /nfs/dbraw/zinc/94/06/59/433940659.db2.gz BFOXRLGMDHHUJK-CYBMUJFWSA-N 2 2 304.331 3.322 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000303470253 433940856 /nfs/dbraw/zinc/94/08/56/433940856.db2.gz QJGICRWRWNCSFM-IBGZPJMESA-N 2 2 316.489 3.156 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000303470253 433940863 /nfs/dbraw/zinc/94/08/63/433940863.db2.gz QJGICRWRWNCSFM-IBGZPJMESA-N 2 2 316.489 3.156 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000414958645 433941468 /nfs/dbraw/zinc/94/14/68/433941468.db2.gz RISFMVHFDVTJRV-YLJYHZDGSA-N 2 2 322.452 3.029 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)c(F)c1 ZINC000352246111 434003310 /nfs/dbraw/zinc/00/33/10/434003310.db2.gz MMBFSPFOESIABD-JTQLQIEISA-N 2 2 311.401 3.334 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340233038 434003623 /nfs/dbraw/zinc/00/36/23/434003623.db2.gz ZMFHAFKUWNLYED-YJLNNSPDSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340233038 434003632 /nfs/dbraw/zinc/00/36/32/434003632.db2.gz ZMFHAFKUWNLYED-YJLNNSPDSA-N 2 2 312.461 3.215 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422792282 434004119 /nfs/dbraw/zinc/00/41/19/434004119.db2.gz WBHGQSZSIORBPC-OALUTQOASA-N 3 2 303.494 3.149 20 0 DGADLP Cc1nc(-c2ccc(CC[NH2+][C@H]3C[NH2+]CC[C@H]3C)s2)cs1 ZINC000422794052 434006103 /nfs/dbraw/zinc/00/61/03/434006103.db2.gz GDTMIKDVCIHGFY-RISCZKNCSA-N 2 2 321.515 3.310 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](c1ccsc1)[NH+](C)C ZINC000422800122 434008413 /nfs/dbraw/zinc/00/84/13/434008413.db2.gz AVJFGBCYESFKSE-HYVNUMGLSA-N 2 2 309.523 3.251 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000377825508 434009396 /nfs/dbraw/zinc/00/93/96/434009396.db2.gz CIFGZMQUWUJUOM-LBPRGKRZSA-N 2 2 304.463 3.164 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000377825508 434009402 /nfs/dbraw/zinc/00/94/02/434009402.db2.gz CIFGZMQUWUJUOM-LBPRGKRZSA-N 2 2 304.463 3.164 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]CC2(C)COC2)c2cccs2)CC1 ZINC000352256232 434010729 /nfs/dbraw/zinc/01/07/29/434010729.db2.gz HOLGSGZFJCLOBZ-OAHLLOKOSA-N 2 2 308.491 3.147 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833886 434011595 /nfs/dbraw/zinc/01/15/95/434011595.db2.gz HLUCULHMYUAUQY-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833886 434011602 /nfs/dbraw/zinc/01/16/02/434011602.db2.gz HLUCULHMYUAUQY-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833886 434011607 /nfs/dbraw/zinc/01/16/07/434011607.db2.gz HLUCULHMYUAUQY-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833886 434011614 /nfs/dbraw/zinc/01/16/14/434011614.db2.gz HLUCULHMYUAUQY-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[C@H]1[C@@H]([NH2+]CCC2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340243877 434011685 /nfs/dbraw/zinc/01/16/85/434011685.db2.gz VGMITONWJYJVBM-PXNSSMCTSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1[C@@H]([NH2+]CCC2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340243877 434011695 /nfs/dbraw/zinc/01/16/95/434011695.db2.gz VGMITONWJYJVBM-PXNSSMCTSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000340262024 434018965 /nfs/dbraw/zinc/01/89/65/434018965.db2.gz UQAOECIICWUCEQ-OALUTQOASA-N 3 2 324.472 3.309 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000340262024 434018972 /nfs/dbraw/zinc/01/89/72/434018972.db2.gz UQAOECIICWUCEQ-OALUTQOASA-N 3 2 324.472 3.309 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340256989 434021930 /nfs/dbraw/zinc/02/19/30/434021930.db2.gz IYPVJDTXQPQCDG-QXAKKESOSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340256989 434021937 /nfs/dbraw/zinc/02/19/37/434021937.db2.gz IYPVJDTXQPQCDG-QXAKKESOSA-N 2 2 304.478 3.036 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422815594 434026075 /nfs/dbraw/zinc/02/60/75/434026075.db2.gz CAFYQCROJMGJIH-WCIQWLHISA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422815945 434026119 /nfs/dbraw/zinc/02/61/19/434026119.db2.gz YRYDZVJSEKCADY-SKDRFNHKSA-N 2 2 304.768 3.029 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422815596 434026647 /nfs/dbraw/zinc/02/66/47/434026647.db2.gz CAFYQCROJMGJIH-WTGUMLROSA-N 3 2 321.553 3.397 20 0 DGADLP C[NH+](C)CCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000450208181 434026808 /nfs/dbraw/zinc/02/68/08/434026808.db2.gz KRNNCXKLQFBUBN-UHFFFAOYSA-N 2 2 312.186 3.110 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2csc(Br)c2)CCCCC1 ZINC000398214047 293852726 /nfs/dbraw/zinc/85/27/26/293852726.db2.gz UGVWPPHTYBFWGB-UHFFFAOYSA-N 2 2 303.269 3.262 20 0 DGADLP Cc1ccc([C@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+]2CCCC2)cc1 ZINC000422828178 434035589 /nfs/dbraw/zinc/03/55/89/434035589.db2.gz NTZJSDUMTYXJSA-JXFKEZNVSA-N 2 2 324.472 3.290 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N2CCCC2)cc1 ZINC000422828178 434035599 /nfs/dbraw/zinc/03/55/99/434035599.db2.gz NTZJSDUMTYXJSA-JXFKEZNVSA-N 2 2 324.472 3.290 20 0 DGADLP Cc1ccccc1[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000422833418 434036677 /nfs/dbraw/zinc/03/66/77/434036677.db2.gz GVBDTZZQJFHVPS-BQFCYCMXSA-N 2 2 304.478 3.439 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305105764 434040283 /nfs/dbraw/zinc/04/02/83/434040283.db2.gz CWZWFMKFFZWRDN-HDMKZQKVSA-N 2 2 301.434 3.320 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000422835821 434043918 /nfs/dbraw/zinc/04/39/18/434043918.db2.gz ZBWXYYHDPDTQFN-ZSYWTGECSA-N 3 2 309.542 3.253 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000422778303 433994971 /nfs/dbraw/zinc/99/49/71/433994971.db2.gz HJHALEALYRLAFJ-NTZNESFSSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000294111019 434000396 /nfs/dbraw/zinc/00/03/96/434000396.db2.gz FUORZWCMKSMOEN-CQSZACIVSA-N 2 2 309.413 3.422 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422790735 434002737 /nfs/dbraw/zinc/00/27/37/434002737.db2.gz PSJZRSWANFAYPC-BEFAXECRSA-N 2 2 321.424 3.390 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861187 434062208 /nfs/dbraw/zinc/06/22/08/434062208.db2.gz MMZLVKXYWYMKLZ-QKLQHJQFSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861187 434062220 /nfs/dbraw/zinc/06/22/20/434062220.db2.gz MMZLVKXYWYMKLZ-QKLQHJQFSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2Cl)CC[NH2+]1 ZINC000414959003 293894871 /nfs/dbraw/zinc/89/48/71/293894871.db2.gz WVQVGQXOOSHBHE-JOYOIKCWSA-N 2 2 317.658 3.333 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414962066 293896061 /nfs/dbraw/zinc/89/60/61/293896061.db2.gz ZNNKOELDBCCLKZ-SKDRFNHKSA-N 2 2 303.233 3.232 20 0 DGADLP Cc1cc(C)c(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c[nH+]1 ZINC000416246399 434069380 /nfs/dbraw/zinc/06/93/80/434069380.db2.gz MGKYSINKDQPMHT-SFHVURJKSA-N 2 2 311.429 3.008 20 0 DGADLP CCC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422877871 434072091 /nfs/dbraw/zinc/07/20/91/434072091.db2.gz SDJHMEVCRFKBHZ-JDFRZJQESA-N 2 2 312.404 3.163 20 0 DGADLP CCC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422877873 434072921 /nfs/dbraw/zinc/07/29/21/434072921.db2.gz SDJHMEVCRFKBHZ-QEORTHHSSA-N 2 2 312.404 3.163 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552305 434074915 /nfs/dbraw/zinc/07/49/15/434074915.db2.gz LSPZJXZSVQXFJL-BBWFWOEESA-N 2 2 315.461 3.277 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552305 434074923 /nfs/dbraw/zinc/07/49/23/434074923.db2.gz LSPZJXZSVQXFJL-BBWFWOEESA-N 2 2 315.461 3.277 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423202767 293915442 /nfs/dbraw/zinc/91/54/42/293915442.db2.gz LFIYWAZPKOEXFW-JQWIXIFHSA-N 2 2 304.381 3.354 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552306 434077064 /nfs/dbraw/zinc/07/70/64/434077064.db2.gz LSPZJXZSVQXFJL-BRWVUGGUSA-N 2 2 315.461 3.277 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552306 434077072 /nfs/dbraw/zinc/07/70/72/434077072.db2.gz LSPZJXZSVQXFJL-BRWVUGGUSA-N 2 2 315.461 3.277 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346076741 434100436 /nfs/dbraw/zinc/10/04/36/434100436.db2.gz AVALLLYKZGUKOL-YJBOKZPZSA-N 2 2 323.440 3.423 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346076741 434100447 /nfs/dbraw/zinc/10/04/47/434100447.db2.gz AVALLLYKZGUKOL-YJBOKZPZSA-N 2 2 323.440 3.423 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422886927 434086089 /nfs/dbraw/zinc/08/60/89/434086089.db2.gz AARFDGCELSZKGR-DZKIICNBSA-N 2 2 306.450 3.275 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422887235 434086495 /nfs/dbraw/zinc/08/64/95/434086495.db2.gz APBGARNSNVJHAW-MSOLQXFVSA-N 2 2 316.493 3.082 20 0 DGADLP COc1cc(Cl)ccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422887865 434089102 /nfs/dbraw/zinc/08/91/02/434089102.db2.gz LPAMUKBXNIMKBM-CXAGYDPISA-N 2 2 318.848 3.397 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000340374747 434091454 /nfs/dbraw/zinc/09/14/54/434091454.db2.gz ZMAGTAXVMZFUJO-CYBMUJFWSA-N 2 2 305.809 3.072 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000340374747 434091462 /nfs/dbraw/zinc/09/14/62/434091462.db2.gz ZMAGTAXVMZFUJO-CYBMUJFWSA-N 2 2 305.809 3.072 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCC3)CCO1 ZINC000340377620 434092142 /nfs/dbraw/zinc/09/21/42/434092142.db2.gz LXZZSHNYNXASHD-XIRDDKMYSA-N 2 2 303.450 3.343 20 0 DGADLP CC(C)c1csc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000422895628 434093762 /nfs/dbraw/zinc/09/37/62/434093762.db2.gz WJTMWVVVDQKIGR-ZFWWWQNUSA-N 2 2 303.475 3.315 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422900224 434095683 /nfs/dbraw/zinc/09/56/83/434095683.db2.gz JCBRZSCYUFPPKP-DYVFJYSZSA-N 2 2 315.392 3.243 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422843832 434048180 /nfs/dbraw/zinc/04/81/80/434048180.db2.gz JTJTYLNTEQSDEJ-JJRVBVJISA-N 2 2 309.885 3.192 20 0 DGADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422910599 434099628 /nfs/dbraw/zinc/09/96/28/434099628.db2.gz IRILWHLLLUVTMH-ZYHUDNBSSA-N 2 2 305.422 3.270 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340303818 434049262 /nfs/dbraw/zinc/04/92/62/434049262.db2.gz WHOLADLHQNDNJH-HOTGVXAUSA-N 2 2 302.462 3.325 20 0 DGADLP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422851040 434051591 /nfs/dbraw/zinc/05/15/91/434051591.db2.gz DWQOBVSZVVDXKL-FUHWJXTLSA-N 2 2 320.477 3.031 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000340307358 434051742 /nfs/dbraw/zinc/05/17/42/434051742.db2.gz WHWOSAUDASFVNZ-POZUXBRTSA-N 2 2 312.461 3.074 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000340307358 434051750 /nfs/dbraw/zinc/05/17/50/434051750.db2.gz WHWOSAUDASFVNZ-POZUXBRTSA-N 2 2 312.461 3.074 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000422856589 434056619 /nfs/dbraw/zinc/05/66/19/434056619.db2.gz WZVJAUNQCFGBSE-BFHYXJOUSA-N 2 2 311.495 3.251 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000346081892 434103184 /nfs/dbraw/zinc/10/31/84/434103184.db2.gz PRCORRHMAWPPLC-KRWDZBQOSA-N 2 2 323.440 3.105 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000346081892 434103199 /nfs/dbraw/zinc/10/31/99/434103199.db2.gz PRCORRHMAWPPLC-KRWDZBQOSA-N 2 2 323.440 3.105 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422910781 434104394 /nfs/dbraw/zinc/10/43/94/434104394.db2.gz JFCYAVMEXZPKNW-HNNXBMFYSA-N 3 2 312.461 3.185 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422910781 434104407 /nfs/dbraw/zinc/10/44/07/434104407.db2.gz JFCYAVMEXZPKNW-HNNXBMFYSA-N 3 2 312.461 3.185 20 0 DGADLP CC[C@@H]([NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422937455 434122663 /nfs/dbraw/zinc/12/26/63/434122663.db2.gz GMXYNNMTDCXHGD-OAGGEKHMSA-N 2 2 304.434 3.029 20 0 DGADLP CN(C)c1cccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397814 434106048 /nfs/dbraw/zinc/10/60/48/434106048.db2.gz VYNXEMOSPPHEKC-FXAWDEMLSA-N 2 2 324.472 3.073 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(Br)cc1Cl)C[NH+](C)C ZINC000310172902 434106487 /nfs/dbraw/zinc/10/64/87/434106487.db2.gz UMZVROYTSVCJSZ-SNVBAGLBSA-N 2 2 319.674 3.390 20 0 DGADLP COc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000422942177 434122812 /nfs/dbraw/zinc/12/28/12/434122812.db2.gz IXLZCUKQPKRMDH-LJQANCHMSA-N 2 2 314.404 3.265 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C3([NH3+])CCCCC3)c2)[nH+]c1C ZINC000378210822 434111297 /nfs/dbraw/zinc/11/12/97/434111297.db2.gz OHNWSGJDOGWGJP-UHFFFAOYSA-N 2 2 312.417 3.294 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000422925333 434111257 /nfs/dbraw/zinc/11/12/57/434111257.db2.gz BKTRTWIOQAZPEI-SUNKGSAMSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@@H]([NH2+]CCOc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422934837 434116265 /nfs/dbraw/zinc/11/62/65/434116265.db2.gz KGFGHUBRUAWMTG-APWZRJJASA-N 2 2 310.441 3.463 20 0 DGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422930036 434117189 /nfs/dbraw/zinc/11/71/89/434117189.db2.gz AUBKFTRVJOSSMJ-RVKKMQEKSA-N 2 2 317.477 3.291 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000493667784 294002437 /nfs/dbraw/zinc/00/24/37/294002437.db2.gz ADCQJIFDEQVHKW-CCKFTAQKSA-N 2 2 304.453 3.465 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000493667784 294002438 /nfs/dbraw/zinc/00/24/38/294002438.db2.gz ADCQJIFDEQVHKW-CCKFTAQKSA-N 2 2 304.453 3.465 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)cc1F ZINC000503877260 294203494 /nfs/dbraw/zinc/20/34/94/294203494.db2.gz WPOHWVPFRJFMBO-OWCBBSPXSA-N 2 2 318.436 3.153 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)cc1F ZINC000503877260 294203496 /nfs/dbraw/zinc/20/34/96/294203496.db2.gz WPOHWVPFRJFMBO-OWCBBSPXSA-N 2 2 318.436 3.153 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)cc1F ZINC000503877264 294203646 /nfs/dbraw/zinc/20/36/46/294203646.db2.gz WPOHWVPFRJFMBO-SCFUHWHPSA-N 2 2 318.436 3.153 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)cc1F ZINC000503877264 294203649 /nfs/dbraw/zinc/20/36/49/294203649.db2.gz WPOHWVPFRJFMBO-SCFUHWHPSA-N 2 2 318.436 3.153 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503941999 294205904 /nfs/dbraw/zinc/20/59/04/294205904.db2.gz OOPUQKUSSNSRPM-MWQQHZPXSA-N 2 2 324.415 3.257 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503941999 294205907 /nfs/dbraw/zinc/20/59/07/294205907.db2.gz OOPUQKUSSNSRPM-MWQQHZPXSA-N 2 2 324.415 3.257 20 0 DGADLP C[N@H+]1Cc2ccccc2[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000378275870 434129103 /nfs/dbraw/zinc/12/91/03/434129103.db2.gz XOMKPFIDHAAKTB-QGZVFWFLSA-N 2 2 323.444 3.066 20 0 DGADLP C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000378275870 434129108 /nfs/dbraw/zinc/12/91/08/434129108.db2.gz XOMKPFIDHAAKTB-QGZVFWFLSA-N 2 2 323.444 3.066 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCOCC2CCCC2)n1-c1ccccc1 ZINC000313251260 434129292 /nfs/dbraw/zinc/12/92/92/434129292.db2.gz KXTKMGNXHURRCR-UHFFFAOYSA-N 2 2 313.445 3.477 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506562738 294272966 /nfs/dbraw/zinc/27/29/66/294272966.db2.gz NRQQHRLFMASNLY-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506562738 294272971 /nfs/dbraw/zinc/27/29/71/294272971.db2.gz NRQQHRLFMASNLY-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506562738 294272974 /nfs/dbraw/zinc/27/29/74/294272974.db2.gz NRQQHRLFMASNLY-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506562738 294272977 /nfs/dbraw/zinc/27/29/77/294272977.db2.gz NRQQHRLFMASNLY-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP CC[C@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000510562131 294386419 /nfs/dbraw/zinc/38/64/19/294386419.db2.gz ZRDIHIVCUNGVQV-ZWKOTPCHSA-N 2 2 316.489 3.365 20 0 DGADLP CC[C@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000510562131 294386421 /nfs/dbraw/zinc/38/64/21/294386421.db2.gz ZRDIHIVCUNGVQV-ZWKOTPCHSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2Br)CC[N@@H+](C2CCC2)C1 ZINC000292459390 297083200 /nfs/dbraw/zinc/08/32/00/297083200.db2.gz ZWWCTPLBBFUHSN-LBPRGKRZSA-N 2 2 324.266 3.155 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2Br)CC[N@H+](C2CCC2)C1 ZINC000292459390 297083203 /nfs/dbraw/zinc/08/32/03/297083203.db2.gz ZWWCTPLBBFUHSN-LBPRGKRZSA-N 2 2 324.266 3.155 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]1 ZINC000422960368 434137094 /nfs/dbraw/zinc/13/70/94/434137094.db2.gz WBUJHYIGCGZWIO-COLVAYQJSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447661 434136981 /nfs/dbraw/zinc/13/69/81/434136981.db2.gz XLFCUXMNOWAQHA-MAUKXSAKSA-N 2 2 311.429 3.102 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447661 434136991 /nfs/dbraw/zinc/13/69/91/434136991.db2.gz XLFCUXMNOWAQHA-MAUKXSAKSA-N 2 2 311.429 3.102 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422965095 434141929 /nfs/dbraw/zinc/14/19/29/434141929.db2.gz NRGHAVFTMVTGCS-MOPGFXCFSA-N 2 2 312.461 3.097 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422967884 434144629 /nfs/dbraw/zinc/14/46/29/434144629.db2.gz UTWCBUDNHCCVPB-PBHICJAKSA-N 2 2 303.450 3.023 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCC(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000422969121 434144782 /nfs/dbraw/zinc/14/47/82/434144782.db2.gz TUOQFKZINDAICK-LSDHHAIUSA-N 2 2 316.367 3.420 20 0 DGADLP CC[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422966652 434145806 /nfs/dbraw/zinc/14/58/06/434145806.db2.gz ROULVASHSSDJFB-IRXDYDNUSA-N 2 2 303.450 3.023 20 0 DGADLP c1n[nH]c([C@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000340474355 434153004 /nfs/dbraw/zinc/15/30/04/434153004.db2.gz HUOGLZRYMQLXTH-QGZVFWFLSA-N 2 2 319.497 3.282 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000314964914 434155654 /nfs/dbraw/zinc/15/56/54/434155654.db2.gz BYLPHJGWWJQLSR-CQSZACIVSA-N 2 2 303.406 3.031 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCC2 ZINC000423003110 434163959 /nfs/dbraw/zinc/16/39/59/434163959.db2.gz GZEUETMTUGSENN-GBESFXJTSA-N 3 2 324.472 3.152 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2ccccc21 ZINC000423014223 434169202 /nfs/dbraw/zinc/16/92/02/434169202.db2.gz OLGCLXFGBJWRFY-QZTJIDSGSA-N 2 2 309.413 3.247 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423013307 434169244 /nfs/dbraw/zinc/16/92/44/434169244.db2.gz FNMHXLHUGKMGSM-LTTZEQNMSA-N 2 2 312.816 3.039 20 0 DGADLP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450434866 434180176 /nfs/dbraw/zinc/18/01/76/434180176.db2.gz NXHQNMFMIRXXLS-LLVKDONJSA-N 2 2 307.800 3.415 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423041731 434182660 /nfs/dbraw/zinc/18/26/60/434182660.db2.gz JOFJQNOUHZLAHH-SJLPKXTDSA-N 2 2 301.478 3.297 20 0 DGADLP COc1ccc([C@H]([NH2+]CCSC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423101459 434220485 /nfs/dbraw/zinc/22/04/85/434220485.db2.gz CYDAGPLFGQBHRI-IRXDYDNUSA-N 2 2 308.491 3.220 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1c[nH+]ccc1N ZINC000423047438 434188554 /nfs/dbraw/zinc/18/85/54/434188554.db2.gz VIHRDOCYNATSFO-OAHLLOKOSA-N 2 2 310.445 3.335 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3COCc4ccccc43)cc2)c[nH+]1 ZINC000340529329 434189565 /nfs/dbraw/zinc/18/95/65/434189565.db2.gz WWSQLHJZMWSDJE-IBGZPJMESA-N 2 2 305.381 3.233 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cn[nH]c2)c(C)c1 ZINC000340541185 434196009 /nfs/dbraw/zinc/19/60/09/434196009.db2.gz JHAYCQRQZGMDAM-YJBOKZPZSA-N 2 2 309.417 3.315 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522004 434198218 /nfs/dbraw/zinc/19/82/18/434198218.db2.gz RIINUZZWPFDBGK-OXHPOLQJSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522004 434198225 /nfs/dbraw/zinc/19/82/25/434198225.db2.gz RIINUZZWPFDBGK-OXHPOLQJSA-N 3 2 315.505 3.284 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423069520 434200885 /nfs/dbraw/zinc/20/08/85/434200885.db2.gz LURJBEVXHDSNLY-QZTJIDSGSA-N 2 2 320.477 3.019 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000437008460 434201538 /nfs/dbraw/zinc/20/15/38/434201538.db2.gz RQRHRKLZWBVZCA-ZWKOTPCHSA-N 2 2 313.445 3.029 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423072160 434201823 /nfs/dbraw/zinc/20/18/23/434201823.db2.gz PFPOQFJFMAFQAS-WMLDXEAASA-N 2 2 324.424 3.490 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000450470224 434206775 /nfs/dbraw/zinc/20/67/75/434206775.db2.gz TZBRYANUVNOOLB-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@H+]1C ZINC000450470224 434206781 /nfs/dbraw/zinc/20/67/81/434206781.db2.gz TZBRYANUVNOOLB-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470224 434206789 /nfs/dbraw/zinc/20/67/89/434206789.db2.gz TZBRYANUVNOOLB-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470224 434206792 /nfs/dbraw/zinc/20/67/92/434206792.db2.gz TZBRYANUVNOOLB-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@]1([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCCOC1 ZINC000357838629 434207411 /nfs/dbraw/zinc/20/74/11/434207411.db2.gz GAZQEKYXPLMSGK-SFHVURJKSA-N 2 2 322.880 3.463 20 0 DGADLP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092450 434213210 /nfs/dbraw/zinc/21/32/10/434213210.db2.gz BXYHTGPZTWDCAY-FUMNGEBKSA-N 3 2 319.537 3.294 20 0 DGADLP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092450 434213220 /nfs/dbraw/zinc/21/32/20/434213220.db2.gz BXYHTGPZTWDCAY-FUMNGEBKSA-N 3 2 319.537 3.294 20 0 DGADLP Cc1cnc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577950 434243791 /nfs/dbraw/zinc/24/37/91/434243791.db2.gz UFBJOUAKBBPFSS-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577950 434243796 /nfs/dbraw/zinc/24/37/96/434243796.db2.gz UFBJOUAKBBPFSS-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577950 434243800 /nfs/dbraw/zinc/24/38/00/434243800.db2.gz UFBJOUAKBBPFSS-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577950 434243806 /nfs/dbraw/zinc/24/38/06/434243806.db2.gz UFBJOUAKBBPFSS-YLJYHZDGSA-N 2 2 324.472 3.270 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)C1 ZINC000450544888 434255040 /nfs/dbraw/zinc/25/50/40/434255040.db2.gz SFFDSNBJILIILW-IBGZPJMESA-N 2 2 321.428 3.033 20 0 DGADLP C[N@H+]1CCC[C@]2(CCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)C1 ZINC000450544888 434255049 /nfs/dbraw/zinc/25/50/49/434255049.db2.gz SFFDSNBJILIILW-IBGZPJMESA-N 2 2 321.428 3.033 20 0 DGADLP FC1(F)CCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295209128 434255576 /nfs/dbraw/zinc/25/55/76/434255576.db2.gz ZTHQGNINQIMHLA-AWEZNQCLSA-N 2 2 309.404 3.466 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000353594844 434256777 /nfs/dbraw/zinc/25/67/77/434256777.db2.gz HVRRRVATVBKJDY-OAHLLOKOSA-N 2 2 307.397 3.488 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc12 ZINC000423173715 434263331 /nfs/dbraw/zinc/26/33/31/434263331.db2.gz ZUIAKRHZLWWHJA-PMACEKPBSA-N 2 2 310.441 3.005 20 0 DGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1cccc(O)c1 ZINC000347652131 434269718 /nfs/dbraw/zinc/26/97/18/434269718.db2.gz QBCOSWGVRPXKKD-ZDUSSCGKSA-N 2 2 319.474 3.493 20 0 DGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1cccc(O)c1 ZINC000347652131 434269726 /nfs/dbraw/zinc/26/97/26/434269726.db2.gz QBCOSWGVRPXKKD-ZDUSSCGKSA-N 2 2 319.474 3.493 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423190003 434273086 /nfs/dbraw/zinc/27/30/86/434273086.db2.gz NCWUWKCLESDKIN-AAEUAGOBSA-N 2 2 302.340 3.030 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423188384 434273858 /nfs/dbraw/zinc/27/38/58/434273858.db2.gz YWEVHMUSIRFFIT-MJGOQNOKSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423188384 434273863 /nfs/dbraw/zinc/27/38/63/434273863.db2.gz YWEVHMUSIRFFIT-MJGOQNOKSA-N 3 2 315.505 3.148 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000381757181 434274093 /nfs/dbraw/zinc/27/40/93/434274093.db2.gz GXMYEUGQOAHTNX-AITUJVMLSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000381757181 434274099 /nfs/dbraw/zinc/27/40/99/434274099.db2.gz GXMYEUGQOAHTNX-AITUJVMLSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423105495 434223603 /nfs/dbraw/zinc/22/36/03/434223603.db2.gz NOYDVEMQGGXOOX-IRXDYDNUSA-N 2 2 305.441 3.046 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423111308 434225265 /nfs/dbraw/zinc/22/52/65/434225265.db2.gz ISHBJZWGTMKUQW-JZXOWHBKSA-N 2 2 303.494 3.003 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111308 434225273 /nfs/dbraw/zinc/22/52/73/434225273.db2.gz ISHBJZWGTMKUQW-JZXOWHBKSA-N 2 2 303.494 3.003 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1c1ccccc1 ZINC000319434145 434226548 /nfs/dbraw/zinc/22/65/48/434226548.db2.gz KJCFHZANQDGHNO-RBUKOAKNSA-N 2 2 302.462 3.010 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1c1ccccc1 ZINC000319434145 434226554 /nfs/dbraw/zinc/22/65/54/434226554.db2.gz KJCFHZANQDGHNO-RBUKOAKNSA-N 2 2 302.462 3.010 20 0 DGADLP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000423113871 434227838 /nfs/dbraw/zinc/22/78/38/434227838.db2.gz UVMPOZNNJADGCU-COLVAYQJSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]Cc1ccsc1Br)c1c[nH+]ccc1N ZINC000423117090 434229558 /nfs/dbraw/zinc/22/95/58/434229558.db2.gz SXCLUDAIMURNHR-QMMMGPOBSA-N 2 2 312.236 3.169 20 0 DGADLP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000423113877 434230336 /nfs/dbraw/zinc/23/03/36/434230336.db2.gz UVMPOZNNJADGCU-VQISRLSMSA-N 2 2 317.260 3.147 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(OC(F)F)c1)CCC2 ZINC000364095341 434230558 /nfs/dbraw/zinc/23/05/58/434230558.db2.gz OFBBDVWFTJLKAJ-AWEZNQCLSA-N 2 2 321.371 3.460 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499628 434231425 /nfs/dbraw/zinc/23/14/25/434231425.db2.gz JHQFXRPWUKQNHE-GDBMZVCRSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499628 434231433 /nfs/dbraw/zinc/23/14/33/434231433.db2.gz JHQFXRPWUKQNHE-GDBMZVCRSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000450499628 434231444 /nfs/dbraw/zinc/23/14/44/434231444.db2.gz JHQFXRPWUKQNHE-GDBMZVCRSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499628 434231455 /nfs/dbraw/zinc/23/14/55/434231455.db2.gz JHQFXRPWUKQNHE-GDBMZVCRSA-N 2 2 308.853 3.265 20 0 DGADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423204815 434281368 /nfs/dbraw/zinc/28/13/68/434281368.db2.gz OQLGAJSRUMJCIY-TVQRCGJNSA-N 2 2 315.642 3.041 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358007789 434282827 /nfs/dbraw/zinc/28/28/27/434282827.db2.gz RROJFMUSYKENOB-MDZRGWNJSA-N 2 2 304.478 3.082 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358007789 434282836 /nfs/dbraw/zinc/28/28/36/434282836.db2.gz RROJFMUSYKENOB-MDZRGWNJSA-N 2 2 304.478 3.082 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)c1 ZINC000358009159 434284509 /nfs/dbraw/zinc/28/45/09/434284509.db2.gz CIISAIAJSHZDEC-DAYGRLMNSA-N 2 2 317.477 3.101 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)c1 ZINC000358009159 434284519 /nfs/dbraw/zinc/28/45/19/434284519.db2.gz CIISAIAJSHZDEC-DAYGRLMNSA-N 2 2 317.477 3.101 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000358010452 434285857 /nfs/dbraw/zinc/28/58/57/434285857.db2.gz XPYCTOVBEXUQFN-ZWKOTPCHSA-N 2 2 304.503 3.164 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000358010452 434285860 /nfs/dbraw/zinc/28/58/60/434285860.db2.gz XPYCTOVBEXUQFN-ZWKOTPCHSA-N 2 2 304.503 3.164 20 0 DGADLP CC[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)[C@H](CC)CN1C(C)=O ZINC000353630086 434288451 /nfs/dbraw/zinc/28/84/51/434288451.db2.gz XMUZUQYGIDVDKJ-RTBURBONSA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)[C@H](CC)CN1C(C)=O ZINC000353630086 434288457 /nfs/dbraw/zinc/28/84/57/434288457.db2.gz XMUZUQYGIDVDKJ-RTBURBONSA-N 2 2 317.477 3.044 20 0 DGADLP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2Nc1ccc2c(c1)CC[NH2+]2 ZINC000423221507 434293820 /nfs/dbraw/zinc/29/38/20/434293820.db2.gz WWFHYCUYEWPKQE-QUCCMNQESA-N 2 2 321.424 3.322 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000348387624 434296263 /nfs/dbraw/zinc/29/62/63/434296263.db2.gz ZFQWPRVGKCBKPP-MKXGPGLRSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000348387624 434296273 /nfs/dbraw/zinc/29/62/73/434296273.db2.gz ZFQWPRVGKCBKPP-MKXGPGLRSA-N 2 2 316.489 3.036 20 0 DGADLP Cc1ccsc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231088 434298383 /nfs/dbraw/zinc/29/83/83/434298383.db2.gz KRVVALRUNFSYHT-ZDUSSCGKSA-N 2 2 302.447 3.034 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000295307486 434300165 /nfs/dbraw/zinc/30/01/65/434300165.db2.gz VQNOQWNPOWJYRS-CYBMUJFWSA-N 2 2 313.380 3.079 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423229828 434300991 /nfs/dbraw/zinc/30/09/91/434300991.db2.gz CENYBHNEWYFUJM-TZMCWYRMSA-N 2 2 302.340 3.378 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Cl)s1 ZINC000423230801 434301014 /nfs/dbraw/zinc/30/10/14/434301014.db2.gz KDKFSBCXPKPZQX-LLVKDONJSA-N 2 2 322.865 3.379 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1cnn(C)c1 ZINC000423232372 434301282 /nfs/dbraw/zinc/30/12/82/434301282.db2.gz CACDHGZXZDUXRE-QZTJIDSGSA-N 2 2 300.450 3.284 20 0 DGADLP CCn1cc[nH+]c1[C@H](C)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423234329 434302638 /nfs/dbraw/zinc/30/26/38/434302638.db2.gz FOPDINADGCQLJX-WMLDXEAASA-N 2 2 300.450 3.377 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423240118 434303354 /nfs/dbraw/zinc/30/33/54/434303354.db2.gz KMFZWSMRYMTRPX-DLBZAZTESA-N 2 2 304.821 3.317 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650686 434304230 /nfs/dbraw/zinc/30/42/30/434304230.db2.gz XKTXADYNHKJPOT-HNNXBMFYSA-N 2 2 320.868 3.294 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650686 434304239 /nfs/dbraw/zinc/30/42/39/434304239.db2.gz XKTXADYNHKJPOT-HNNXBMFYSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650686 434304246 /nfs/dbraw/zinc/30/42/46/434304246.db2.gz XKTXADYNHKJPOT-HNNXBMFYSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650686 434304259 /nfs/dbraw/zinc/30/42/59/434304259.db2.gz XKTXADYNHKJPOT-HNNXBMFYSA-N 2 2 320.868 3.294 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423237803 434305825 /nfs/dbraw/zinc/30/58/25/434305825.db2.gz IPQJVXVJVIWDLV-CXAGYDPISA-N 2 2 300.450 3.297 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238567 434305999 /nfs/dbraw/zinc/30/59/99/434305999.db2.gz RBIFVCCPZABDSE-UYAOXDASSA-N 2 2 310.441 3.321 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000423245154 434308403 /nfs/dbraw/zinc/30/84/03/434308403.db2.gz YEYOLOSKOZLWPK-KBPBESRZSA-N 2 2 315.230 3.381 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC000353656641 434309912 /nfs/dbraw/zinc/30/99/12/434309912.db2.gz LSBIGQGDRMALIH-LJQANCHMSA-N 3 2 301.478 3.273 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC000353656641 434309921 /nfs/dbraw/zinc/30/99/21/434309921.db2.gz LSBIGQGDRMALIH-LJQANCHMSA-N 3 2 301.478 3.273 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c[nH+]1 ZINC000353652534 434309974 /nfs/dbraw/zinc/30/99/74/434309974.db2.gz RLJCHEQSSHHDOU-QFIPXVFZSA-N 2 2 316.470 3.192 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000423246062 434309997 /nfs/dbraw/zinc/30/99/97/434309997.db2.gz JUEWDECQFGFMKC-KBPBESRZSA-N 2 2 306.331 3.381 20 0 DGADLP Cc1ccc(CCC[N@H+](C)Cc2ccc([S@](C)=O)cc2)c[nH+]1 ZINC000353652534 434309983 /nfs/dbraw/zinc/30/99/83/434309983.db2.gz RLJCHEQSSHHDOU-QFIPXVFZSA-N 2 2 316.470 3.192 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000423244855 434310919 /nfs/dbraw/zinc/31/09/19/434310919.db2.gz ODJPTAMQIYNMFF-SJORKVTESA-N 2 2 314.429 3.445 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423248672 434311228 /nfs/dbraw/zinc/31/12/28/434311228.db2.gz RXCNDBQCEHBXMY-MLGOLLRUSA-N 2 2 318.392 3.194 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(OC)c1 ZINC000423248261 434311366 /nfs/dbraw/zinc/31/13/66/434311366.db2.gz RISWOYGRLPRDDZ-CXAGYDPISA-N 2 2 300.402 3.054 20 0 DGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000423244715 434311536 /nfs/dbraw/zinc/31/15/36/434311536.db2.gz NWZHJHONJNSQBZ-IRXDYDNUSA-N 2 2 312.413 3.199 20 0 DGADLP CC[C@@H](NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000423252611 434314224 /nfs/dbraw/zinc/31/42/24/434314224.db2.gz XUYUDMSWIAVFQC-IAGOWNOFSA-N 2 2 300.450 3.284 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423253253 434315146 /nfs/dbraw/zinc/31/51/46/434315146.db2.gz YWAMPPAQFBXFLG-DNVCBOLYSA-N 2 2 323.440 3.164 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955323 434319051 /nfs/dbraw/zinc/31/90/51/434319051.db2.gz YEZSCMKCIONCHZ-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955323 434319057 /nfs/dbraw/zinc/31/90/57/434319057.db2.gz YEZSCMKCIONCHZ-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)sc1Br ZINC000423191261 434276996 /nfs/dbraw/zinc/27/69/96/434276996.db2.gz OURQBKBDKSCBTB-UWVGGRQHSA-N 2 2 303.269 3.222 20 0 DGADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000423196417 434278491 /nfs/dbraw/zinc/27/84/91/434278491.db2.gz VGVZEVUKBKKMTH-ROUUACIJSA-N 2 2 315.848 3.360 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423371357 434391503 /nfs/dbraw/zinc/39/15/03/434391503.db2.gz FKSUQFZIWRJEQE-ABAIWWIYSA-N 2 2 311.267 3.414 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423326309 434363763 /nfs/dbraw/zinc/36/37/63/434363763.db2.gz MMYXQPMHFRTBHR-KRTXAFLBSA-N 2 2 303.631 3.027 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358171659 434366405 /nfs/dbraw/zinc/36/64/05/434366405.db2.gz SNXIWAPURCWKEY-APWZRJJASA-N 2 2 304.478 3.401 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000366229257 434367141 /nfs/dbraw/zinc/36/71/41/434367141.db2.gz HRWQCZIEBFLZKS-DNVCBOLYSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000366229257 434367150 /nfs/dbraw/zinc/36/71/50/434367150.db2.gz HRWQCZIEBFLZKS-DNVCBOLYSA-N 2 2 307.441 3.463 20 0 DGADLP Cc1ccc[nH+]c1CCCNc1cc[nH+]cc1Br ZINC000450725047 434368807 /nfs/dbraw/zinc/36/88/07/434368807.db2.gz PQYCMDZDWXQZSZ-UHFFFAOYSA-N 2 2 306.207 3.014 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423340677 434369391 /nfs/dbraw/zinc/36/93/91/434369391.db2.gz SXLUTKMCJYDAKZ-WBVHZDCISA-N 2 2 310.869 3.192 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417377928 434372783 /nfs/dbraw/zinc/37/27/83/434372783.db2.gz GNWLJUAMOYATHU-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1 ZINC000353733580 434376511 /nfs/dbraw/zinc/37/65/11/434376511.db2.gz ADOHNIICGFPWFO-STQMWFEESA-N 2 2 317.458 3.021 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1 ZINC000353733580 434376521 /nfs/dbraw/zinc/37/65/21/434376521.db2.gz ADOHNIICGFPWFO-STQMWFEESA-N 2 2 317.458 3.021 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC1(C)C ZINC000417391149 434376988 /nfs/dbraw/zinc/37/69/88/434376988.db2.gz ADPTZRLQVHYBCZ-ZWKOTPCHSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@@H+]1C ZINC000287513059 434378785 /nfs/dbraw/zinc/37/87/85/434378785.db2.gz ZEUAFVRQTQKUEL-WBVHZDCISA-N 2 2 319.493 3.469 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@H+]1C ZINC000287513059 434378793 /nfs/dbraw/zinc/37/87/93/434378793.db2.gz ZEUAFVRQTQKUEL-WBVHZDCISA-N 2 2 319.493 3.469 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513845 434379937 /nfs/dbraw/zinc/37/99/37/434379937.db2.gz OGEINMCOALXCKY-RKVPGOIHSA-N 2 2 319.468 3.244 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513845 434379948 /nfs/dbraw/zinc/37/99/48/434379948.db2.gz OGEINMCOALXCKY-RKVPGOIHSA-N 2 2 319.468 3.244 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423367680 434383952 /nfs/dbraw/zinc/38/39/52/434383952.db2.gz DOBVCHVCOWGDLO-MJVIPROJSA-N 2 2 302.340 3.376 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ncc2F)CC1 ZINC000287531575 434387341 /nfs/dbraw/zinc/38/73/41/434387341.db2.gz DRTDGFMJUWKELT-CYBMUJFWSA-N 2 2 309.429 3.144 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000423371329 434390476 /nfs/dbraw/zinc/39/04/76/434390476.db2.gz QECXYZDOTKIGKN-FZMZJTMJSA-N 2 2 312.417 3.157 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000423278518 434336557 /nfs/dbraw/zinc/33/65/57/434336557.db2.gz RGOWYXWYKDTRNE-VHSXEESVSA-N 2 2 303.219 3.094 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423281598 434337455 /nfs/dbraw/zinc/33/74/55/434337455.db2.gz VEVCLWBKSSOGSI-RNCFNFMXSA-N 2 2 303.219 3.222 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000287345364 434339048 /nfs/dbraw/zinc/33/90/48/434339048.db2.gz OWBSSSQLCYSXEE-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000287345364 434339058 /nfs/dbraw/zinc/33/90/58/434339058.db2.gz OWBSSSQLCYSXEE-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358122509 434339631 /nfs/dbraw/zinc/33/96/31/434339631.db2.gz FURJSYCDNIDQSO-DOPJRALCSA-N 2 2 300.446 3.145 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358122509 434339638 /nfs/dbraw/zinc/33/96/38/434339638.db2.gz FURJSYCDNIDQSO-DOPJRALCSA-N 2 2 300.446 3.145 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423294683 434342369 /nfs/dbraw/zinc/34/23/69/434342369.db2.gz CROULWAQHJINFE-PBHICJAKSA-N 3 2 300.450 3.349 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225508 434344164 /nfs/dbraw/zinc/34/41/64/434344164.db2.gz GXGFXVUISBCZRR-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225508 434344173 /nfs/dbraw/zinc/34/41/73/434344173.db2.gz GXGFXVUISBCZRR-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150417 434346294 /nfs/dbraw/zinc/34/62/94/434346294.db2.gz DGIVFVRKEJQOHB-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150417 434346304 /nfs/dbraw/zinc/34/63/04/434346304.db2.gz DGIVFVRKEJQOHB-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150417 434346315 /nfs/dbraw/zinc/34/63/15/434346315.db2.gz DGIVFVRKEJQOHB-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(C(C)(C)C)s3)CC[C@H]21 ZINC000366150417 434346321 /nfs/dbraw/zinc/34/63/21/434346321.db2.gz DGIVFVRKEJQOHB-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(C)c(C)[nH+]1 ZINC000340773556 434349923 /nfs/dbraw/zinc/34/99/23/434349923.db2.gz IQHVQNYGHPEGIV-YJBOKZPZSA-N 2 2 310.445 3.477 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423300176 434350303 /nfs/dbraw/zinc/35/03/03/434350303.db2.gz RAVINNBVOQENSD-MAUKXSAKSA-N 2 2 300.450 3.100 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000389851833 434352916 /nfs/dbraw/zinc/35/29/16/434352916.db2.gz WJZUCOUEGYXFNG-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000389851833 434352923 /nfs/dbraw/zinc/35/29/23/434352923.db2.gz WJZUCOUEGYXFNG-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287402150 434353480 /nfs/dbraw/zinc/35/34/80/434353480.db2.gz QXXLRZWTRRNHMM-ZSZQSSIHSA-N 2 2 312.461 3.042 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423309858 434356198 /nfs/dbraw/zinc/35/61/98/434356198.db2.gz MEOJARAKIQXXLS-HNNXBMFYSA-N 2 2 320.481 3.211 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000287423283 434358315 /nfs/dbraw/zinc/35/83/15/434358315.db2.gz SLGHQJUQYRUWDL-FRQCXROJSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000287423283 434358327 /nfs/dbraw/zinc/35/83/27/434358327.db2.gz SLGHQJUQYRUWDL-FRQCXROJSA-N 2 2 312.461 3.217 20 0 DGADLP C[NH+](C)[C@H](C[NH2+]CC1Cc2ccccc2C1)Cc1ccccc1 ZINC000519570049 294774598 /nfs/dbraw/zinc/77/45/98/294774598.db2.gz ABXIGZJIPOIPIM-NRFANRHFSA-N 2 2 308.469 3.164 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H](C)[NH3+] ZINC000423377662 434392816 /nfs/dbraw/zinc/39/28/16/434392816.db2.gz VZHUOQZMNQEHHZ-ZBEGNZNMSA-N 2 2 314.433 3.388 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)c(F)c1 ZINC000423371218 434393292 /nfs/dbraw/zinc/39/32/92/434393292.db2.gz UWNTYDBYGPXTOY-QAPCUYQASA-N 2 2 317.383 3.181 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Br ZINC000423376841 434393385 /nfs/dbraw/zinc/39/33/85/434393385.db2.gz LILIOKSAFHCDTN-JFGNBEQYSA-N 2 2 315.230 3.379 20 0 DGADLP CC(C)[C@H](C[NH2+]CC[C@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000438078575 434395912 /nfs/dbraw/zinc/39/59/12/434395912.db2.gz VXUHQOVPWNDWPP-PXNSSMCTSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@H](C[NH2+]CC[C@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000438078575 434395915 /nfs/dbraw/zinc/39/59/15/434395915.db2.gz VXUHQOVPWNDWPP-PXNSSMCTSA-N 2 2 316.489 3.086 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423381422 434396792 /nfs/dbraw/zinc/39/67/92/434396792.db2.gz FORSERXXRPYMPW-GUYCJALGSA-N 2 2 303.837 3.216 20 0 DGADLP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000393662857 434397704 /nfs/dbraw/zinc/39/77/04/434397704.db2.gz ZJIUCELNRFPRQZ-KRWDZBQOSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000393662857 434397713 /nfs/dbraw/zinc/39/77/13/434397713.db2.gz ZJIUCELNRFPRQZ-KRWDZBQOSA-N 2 2 304.478 3.038 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]CC[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000438082883 434400712 /nfs/dbraw/zinc/40/07/12/434400712.db2.gz WGDDUHKONLXUEG-VQIMIIECSA-N 2 2 320.477 3.094 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752284 434402941 /nfs/dbraw/zinc/40/29/41/434402941.db2.gz RWDKNXGFSDZOJE-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752284 434402955 /nfs/dbraw/zinc/40/29/55/434402955.db2.gz RWDKNXGFSDZOJE-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752284 434402966 /nfs/dbraw/zinc/40/29/66/434402966.db2.gz RWDKNXGFSDZOJE-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752284 434402977 /nfs/dbraw/zinc/40/29/77/434402977.db2.gz RWDKNXGFSDZOJE-YPMHNXCESA-N 2 2 300.368 3.409 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(F)cn1 ZINC000287585717 434404032 /nfs/dbraw/zinc/40/40/32/434404032.db2.gz HQSWDXDXIUYSMN-ZIAGYGMSSA-N 2 2 309.429 3.000 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(F)cn1 ZINC000287585717 434404039 /nfs/dbraw/zinc/40/40/39/434404039.db2.gz HQSWDXDXIUYSMN-ZIAGYGMSSA-N 2 2 309.429 3.000 20 0 DGADLP C[N@H+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450785283 434408438 /nfs/dbraw/zinc/40/84/38/434408438.db2.gz AERQFVPZCKXQOI-PVAVHDDUSA-N 2 2 323.431 3.442 20 0 DGADLP C[N@@H+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450785283 434408442 /nfs/dbraw/zinc/40/84/42/434408442.db2.gz AERQFVPZCKXQOI-PVAVHDDUSA-N 2 2 323.431 3.442 20 0 DGADLP C[NH+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450785283 434408449 /nfs/dbraw/zinc/40/84/49/434408449.db2.gz AERQFVPZCKXQOI-PVAVHDDUSA-N 2 2 323.431 3.442 20 0 DGADLP C[NH+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450785283 434408453 /nfs/dbraw/zinc/40/84/53/434408453.db2.gz AERQFVPZCKXQOI-PVAVHDDUSA-N 2 2 323.431 3.442 20 0 DGADLP C[N@H+](CC1CC(F)(F)C1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450790430 434413902 /nfs/dbraw/zinc/41/39/02/434413902.db2.gz KRBKDXBSHQZHKB-HOTGVXAUSA-N 2 2 309.404 3.052 20 0 DGADLP C[N@@H+](CC1CC(F)(F)C1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450790430 434413912 /nfs/dbraw/zinc/41/39/12/434413912.db2.gz KRBKDXBSHQZHKB-HOTGVXAUSA-N 2 2 309.404 3.052 20 0 DGADLP C[NH+](CC1CC(F)(F)C1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450790430 434413922 /nfs/dbraw/zinc/41/39/22/434413922.db2.gz KRBKDXBSHQZHKB-HOTGVXAUSA-N 2 2 309.404 3.052 20 0 DGADLP C[NH+](CC1CC(F)(F)C1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450790430 434413931 /nfs/dbraw/zinc/41/39/31/434413931.db2.gz KRBKDXBSHQZHKB-HOTGVXAUSA-N 2 2 309.404 3.052 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287633331 434415341 /nfs/dbraw/zinc/41/53/41/434415341.db2.gz VCNITFCRQQAENY-KRWDZBQOSA-N 2 2 324.428 3.094 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287633331 434415352 /nfs/dbraw/zinc/41/53/52/434415352.db2.gz VCNITFCRQQAENY-KRWDZBQOSA-N 2 2 324.428 3.094 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000423418796 434417337 /nfs/dbraw/zinc/41/73/37/434417337.db2.gz IEVARMOEUKGFMR-NHYWBVRUSA-N 2 2 317.260 3.413 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896744 434421568 /nfs/dbraw/zinc/42/15/68/434421568.db2.gz MRBHXNWWADDETK-FUHWJXTLSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896744 434421577 /nfs/dbraw/zinc/42/15/77/434421577.db2.gz MRBHXNWWADDETK-FUHWJXTLSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896747 434422549 /nfs/dbraw/zinc/42/25/49/434422549.db2.gz MRBHXNWWADDETK-SJLPKXTDSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896747 434422555 /nfs/dbraw/zinc/42/25/55/434422555.db2.gz MRBHXNWWADDETK-SJLPKXTDSA-N 2 2 310.445 3.039 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000287663390 434422783 /nfs/dbraw/zinc/42/27/83/434422783.db2.gz XEDASEVMUVHNJG-UHFFFAOYSA-N 2 2 306.454 3.329 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423434450 434423915 /nfs/dbraw/zinc/42/39/15/434423915.db2.gz YAHVODDOAPWKQW-BRWVUGGUSA-N 3 2 312.461 3.288 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423455499 434434085 /nfs/dbraw/zinc/43/40/85/434434085.db2.gz COOJRZKQRKQBCS-CHWSQXEVSA-N 2 2 306.397 3.436 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423463496 434438272 /nfs/dbraw/zinc/43/82/72/434438272.db2.gz LGKSTQKMEBTINM-CZKCSJLSSA-N 3 2 315.505 3.003 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423463496 434438283 /nfs/dbraw/zinc/43/82/83/434438283.db2.gz LGKSTQKMEBTINM-CZKCSJLSSA-N 3 2 315.505 3.003 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423496493 434459379 /nfs/dbraw/zinc/45/93/79/434459379.db2.gz FAGLIUZFGAPUCR-VDGAXYAQSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496493 434459384 /nfs/dbraw/zinc/45/93/84/434459384.db2.gz FAGLIUZFGAPUCR-VDGAXYAQSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000423497962 434459840 /nfs/dbraw/zinc/45/98/40/434459840.db2.gz AQSUTUGBVWSWFQ-XLWVJDPXSA-N 2 2 302.368 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1OC ZINC000423502331 434460525 /nfs/dbraw/zinc/46/05/25/434460525.db2.gz FEGZMJZUYZQOLM-GBESFXJTSA-N 2 2 310.441 3.492 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000423518490 434469950 /nfs/dbraw/zinc/46/99/50/434469950.db2.gz ZHROEXHBUIZDEF-SCLBCKFNSA-N 2 2 314.477 3.433 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423515139 434469979 /nfs/dbraw/zinc/46/99/79/434469979.db2.gz FLYLVERVOOWVAS-IUODEOHRSA-N 2 2 317.260 3.413 20 0 DGADLP CC[C@H](C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000360080332 434505161 /nfs/dbraw/zinc/50/51/61/434505161.db2.gz YUPSHEAORLUNHF-IAGOWNOFSA-N 2 2 318.461 3.373 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423531216 434478040 /nfs/dbraw/zinc/47/80/40/434478040.db2.gz XXJSIYXXZVETAX-RISCZKNCSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](CO)C2)C1 ZINC000348758220 434478805 /nfs/dbraw/zinc/47/88/05/434478805.db2.gz ZPTAYNPDFLJJFW-LXZJYRNTSA-N 2 2 316.489 3.210 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](CO)C2)C1 ZINC000348758220 434478813 /nfs/dbraw/zinc/47/88/13/434478813.db2.gz ZPTAYNPDFLJJFW-LXZJYRNTSA-N 2 2 316.489 3.210 20 0 DGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000329790647 434480712 /nfs/dbraw/zinc/48/07/12/434480712.db2.gz CYMFOHKHDOEDLK-LLVKDONJSA-N 2 2 300.337 3.070 20 0 DGADLP Fc1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000329790647 434480722 /nfs/dbraw/zinc/48/07/22/434480722.db2.gz CYMFOHKHDOEDLK-LLVKDONJSA-N 2 2 300.337 3.070 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000341006095 434482831 /nfs/dbraw/zinc/48/28/31/434482831.db2.gz JTOIARKLSMDTBE-WDEREUQCSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@H+]1C ZINC000341006095 434482838 /nfs/dbraw/zinc/48/28/38/434482838.db2.gz JTOIARKLSMDTBE-WDEREUQCSA-N 2 2 320.330 3.297 20 0 DGADLP FC1(F)CC(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450922660 434485384 /nfs/dbraw/zinc/48/53/84/434485384.db2.gz AMKXRPIOSBIRIH-CQSZACIVSA-N 2 2 309.404 3.444 20 0 DGADLP FC1(F)CC(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450922660 434485390 /nfs/dbraw/zinc/48/53/90/434485390.db2.gz AMKXRPIOSBIRIH-CQSZACIVSA-N 2 2 309.404 3.444 20 0 DGADLP Fc1ccc2oc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nc2c1 ZINC000329826474 434489004 /nfs/dbraw/zinc/48/90/04/434489004.db2.gz RFPZCKLKSQAKOO-UHFFFAOYSA-N 2 2 300.337 3.070 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)c(F)c1 ZINC000423566361 434489352 /nfs/dbraw/zinc/48/93/52/434489352.db2.gz UGOOQQZENCDAAP-SFHVURJKSA-N 2 2 317.383 3.181 20 0 DGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423492193 434454558 /nfs/dbraw/zinc/45/45/58/434454558.db2.gz MAYLBPJBOIRUDP-CTNGQTDRSA-N 2 2 324.468 3.361 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)[C@@H]1CC[NH3+] ZINC000404365407 434509992 /nfs/dbraw/zinc/50/99/92/434509992.db2.gz PIFNBAKNOPJIRP-GXTWGEPZSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)[C@@H]1CC[NH3+] ZINC000404365407 434510001 /nfs/dbraw/zinc/51/00/01/434510001.db2.gz PIFNBAKNOPJIRP-GXTWGEPZSA-N 2 2 305.447 3.352 20 0 DGADLP COc1ccc(C[C@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000348832400 434512925 /nfs/dbraw/zinc/51/29/25/434512925.db2.gz IOAPNODPAVPLII-HNNXBMFYSA-N 2 2 322.412 3.378 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)[C@@H]1CC[NH3+] ZINC000404382371 434512951 /nfs/dbraw/zinc/51/29/51/434512951.db2.gz UTNWHMGEPSJNLE-TZMCWYRMSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)[C@@H]1CC[NH3+] ZINC000404382371 434512959 /nfs/dbraw/zinc/51/29/59/434512959.db2.gz UTNWHMGEPSJNLE-TZMCWYRMSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000366853166 434522517 /nfs/dbraw/zinc/52/25/17/434522517.db2.gz AZNZWCAQPQKKIR-AYBZRNKSSA-N 2 2 324.472 3.223 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000366853166 434522521 /nfs/dbraw/zinc/52/25/21/434522521.db2.gz AZNZWCAQPQKKIR-AYBZRNKSSA-N 2 2 324.472 3.223 20 0 DGADLP CC(C)n1cc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405959255 434527088 /nfs/dbraw/zinc/52/70/88/434527088.db2.gz MEZSDSNZNPRHBK-LJQANCHMSA-N 2 2 312.461 3.218 20 0 DGADLP CC(C)n1cc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000405959255 434527092 /nfs/dbraw/zinc/52/70/92/434527092.db2.gz MEZSDSNZNPRHBK-LJQANCHMSA-N 2 2 312.461 3.218 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)c[nH+]1 ZINC000353929640 434532401 /nfs/dbraw/zinc/53/24/01/434532401.db2.gz DZLJPIGOEMVSCK-LJQANCHMSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](c3ccccc3)C(C)(C)CO)n2c1 ZINC000438853603 434539170 /nfs/dbraw/zinc/53/91/70/434539170.db2.gz UKCBQDIRBAZYBU-IBGZPJMESA-N 2 2 323.440 3.492 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@@H](C)[NH3+] ZINC000423805080 434544084 /nfs/dbraw/zinc/54/40/84/434544084.db2.gz CTBTUALFNKCPIY-BDJLRTHQSA-N 2 2 314.433 3.009 20 0 DGADLP Cn1c2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc2[nH+]c1C(C)(C)C ZINC000423813288 434544720 /nfs/dbraw/zinc/54/47/20/434544720.db2.gz PYAMOLUIDXVDMM-CQSZACIVSA-N 2 2 316.449 3.183 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2n[nH]cc2c1 ZINC000353984835 434559072 /nfs/dbraw/zinc/55/90/72/434559072.db2.gz ZJWPRBIUKRHCOE-CQSZACIVSA-N 2 2 321.428 3.278 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000525195946 295003039 /nfs/dbraw/zinc/00/30/39/295003039.db2.gz GLCYJHTULXRKJX-DZGCQCFKSA-N 2 2 312.404 3.477 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000525195946 295003042 /nfs/dbraw/zinc/00/30/42/295003042.db2.gz GLCYJHTULXRKJX-DZGCQCFKSA-N 2 2 312.404 3.477 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000439078694 434563412 /nfs/dbraw/zinc/56/34/12/434563412.db2.gz QVPZLHPXCXQYEJ-CQSZACIVSA-N 2 2 321.465 3.036 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000527534645 295102205 /nfs/dbraw/zinc/10/22/05/295102205.db2.gz OCIFXVGRVYASDX-IBGZPJMESA-N 2 2 301.478 3.478 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000527534645 295102207 /nfs/dbraw/zinc/10/22/07/295102207.db2.gz OCIFXVGRVYASDX-IBGZPJMESA-N 2 2 301.478 3.478 20 0 DGADLP Clc1cnccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000527647275 295109129 /nfs/dbraw/zinc/10/91/29/295109129.db2.gz ADNQEMYRDPRGES-UHFFFAOYSA-N 2 2 307.869 3.479 20 0 DGADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000527866777 295142659 /nfs/dbraw/zinc/14/26/59/295142659.db2.gz WKWATWCQWGUVGM-FRQCXROJSA-N 2 2 303.494 3.097 20 0 DGADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527866777 295142660 /nfs/dbraw/zinc/14/26/60/295142660.db2.gz WKWATWCQWGUVGM-FRQCXROJSA-N 2 2 303.494 3.097 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CC12CC2 ZINC000527872275 295143622 /nfs/dbraw/zinc/14/36/22/295143622.db2.gz SMLKSGDYFMNTOY-IAGOWNOFSA-N 2 2 306.494 3.047 20 0 DGADLP CC[N@H+](CCC1CCN(c2[nH+]cccc2OC)CC1)CC1CC1 ZINC000527957767 295156781 /nfs/dbraw/zinc/15/67/81/295156781.db2.gz UFLVQDAXHFTZIJ-UHFFFAOYSA-N 2 2 317.477 3.429 20 0 DGADLP CC[N@@H+](CCC1CCN(c2[nH+]cccc2OC)CC1)CC1CC1 ZINC000527957767 295156783 /nfs/dbraw/zinc/15/67/83/295156783.db2.gz UFLVQDAXHFTZIJ-UHFFFAOYSA-N 2 2 317.477 3.429 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000423910993 434575792 /nfs/dbraw/zinc/57/57/92/434575792.db2.gz ROIVDNBPSBSCDW-CQSZACIVSA-N 2 2 311.385 3.120 20 0 DGADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)[nH+]1 ZINC000408463913 434579021 /nfs/dbraw/zinc/57/90/21/434579021.db2.gz GZFODOLKAZIHRI-UHFFFAOYSA-N 2 2 318.465 3.391 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000528426003 295212812 /nfs/dbraw/zinc/21/28/12/295212812.db2.gz SPOHKECBIQBKAJ-JSGCOSHPSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000528426003 295212813 /nfs/dbraw/zinc/21/28/13/295212813.db2.gz SPOHKECBIQBKAJ-JSGCOSHPSA-N 2 2 324.350 3.380 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513443 295221272 /nfs/dbraw/zinc/22/12/72/295221272.db2.gz UCIFMWHBBYNHOF-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513443 295221274 /nfs/dbraw/zinc/22/12/74/295221274.db2.gz UCIFMWHBBYNHOF-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513443 295221280 /nfs/dbraw/zinc/22/12/80/295221280.db2.gz UCIFMWHBBYNHOF-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513443 295221281 /nfs/dbraw/zinc/22/12/81/295221281.db2.gz UCIFMWHBBYNHOF-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000423323433 295224725 /nfs/dbraw/zinc/22/47/25/295224725.db2.gz HIZZWOQBSSXROR-HBMCJLEFSA-N 2 2 322.452 3.418 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459423786 434583101 /nfs/dbraw/zinc/58/31/01/434583101.db2.gz JKWTYVOOYHNONG-UHFFFAOYSA-N 2 2 318.461 3.440 20 0 DGADLP CC(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354099960 434617163 /nfs/dbraw/zinc/61/71/63/434617163.db2.gz INKKMCAZFHTCFH-OAHLLOKOSA-N 2 2 307.507 3.430 20 0 DGADLP CC(C)c1ncc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354099960 434617171 /nfs/dbraw/zinc/61/71/71/434617171.db2.gz INKKMCAZFHTCFH-OAHLLOKOSA-N 2 2 307.507 3.430 20 0 DGADLP CC(C)c1ncc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354099960 434617179 /nfs/dbraw/zinc/61/71/79/434617179.db2.gz INKKMCAZFHTCFH-OAHLLOKOSA-N 2 2 307.507 3.430 20 0 DGADLP CC(C)c1ncc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354099960 434617185 /nfs/dbraw/zinc/61/71/85/434617185.db2.gz INKKMCAZFHTCFH-OAHLLOKOSA-N 2 2 307.507 3.430 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000349149253 434621333 /nfs/dbraw/zinc/62/13/33/434621333.db2.gz LPQZYSDSVUQROO-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000349149253 434621338 /nfs/dbraw/zinc/62/13/38/434621338.db2.gz LPQZYSDSVUQROO-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000354111440 434622663 /nfs/dbraw/zinc/62/26/63/434622663.db2.gz SLXKFNYPMVOQHR-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000354111440 434622665 /nfs/dbraw/zinc/62/26/65/434622665.db2.gz SLXKFNYPMVOQHR-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000360511335 434626029 /nfs/dbraw/zinc/62/60/29/434626029.db2.gz LLMQNJRQFFSHEZ-AWEZNQCLSA-N 2 2 318.461 3.371 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000349199023 434634477 /nfs/dbraw/zinc/63/44/77/434634477.db2.gz XMSNBGIJOLFLMW-KRWDZBQOSA-N 2 2 313.445 3.444 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000349199023 434634486 /nfs/dbraw/zinc/63/44/86/434634486.db2.gz XMSNBGIJOLFLMW-KRWDZBQOSA-N 2 2 313.445 3.444 20 0 DGADLP CCc1nc(CC[NH2+]CCCc2ccc(C)[nH+]c2)sc1C ZINC000354134109 434636107 /nfs/dbraw/zinc/63/61/07/434636107.db2.gz OHRRHWNDUXIYJL-UHFFFAOYSA-N 2 2 303.475 3.482 20 0 DGADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C2CC(C(C)(C)C)C2)CCC[N@@H+]1C ZINC000459548975 434603513 /nfs/dbraw/zinc/60/35/13/434603513.db2.gz ZRKMLLSZCOLPSK-MMIPBJDJSA-N 2 2 318.509 3.217 20 0 DGADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C2CC(C(C)(C)C)C2)CCC[N@H+]1C ZINC000459548975 434603520 /nfs/dbraw/zinc/60/35/20/434603520.db2.gz ZRKMLLSZCOLPSK-MMIPBJDJSA-N 2 2 318.509 3.217 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349372449 434696019 /nfs/dbraw/zinc/69/60/19/434696019.db2.gz UUONSOGNXYQNTO-INIZCTEOSA-N 2 2 323.506 3.302 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349372449 434696025 /nfs/dbraw/zinc/69/60/25/434696025.db2.gz UUONSOGNXYQNTO-INIZCTEOSA-N 2 2 323.506 3.302 20 0 DGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC000424327677 434698528 /nfs/dbraw/zinc/69/85/28/434698528.db2.gz ZFUNXTBORDVGLN-LRNSACPNSA-N 2 2 311.429 3.166 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166158 434647817 /nfs/dbraw/zinc/64/78/17/434647817.db2.gz IXGRIXNGHPRUPS-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166158 434647825 /nfs/dbraw/zinc/64/78/25/434647825.db2.gz IXGRIXNGHPRUPS-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166158 434647828 /nfs/dbraw/zinc/64/78/28/434647828.db2.gz IXGRIXNGHPRUPS-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166158 434647836 /nfs/dbraw/zinc/64/78/36/434647836.db2.gz IXGRIXNGHPRUPS-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000459669249 434655871 /nfs/dbraw/zinc/65/58/71/434655871.db2.gz CVYANSHBWQFYNT-WEOZKBJRSA-N 2 2 302.462 3.369 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000459669249 434655876 /nfs/dbraw/zinc/65/58/76/434655876.db2.gz CVYANSHBWQFYNT-WEOZKBJRSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371340353 434671092 /nfs/dbraw/zinc/67/10/92/434671092.db2.gz DKGQRQDTKXEUES-IYWMVGAKSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371340353 434671098 /nfs/dbraw/zinc/67/10/98/434671098.db2.gz DKGQRQDTKXEUES-IYWMVGAKSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000459733088 434683988 /nfs/dbraw/zinc/68/39/88/434683988.db2.gz ABTGBKARVIXQGI-MSOLQXFVSA-N 2 2 322.880 3.462 20 0 DGADLP Cc1cc[nH+]cc1CCCN(CC[NH+](C)C)Cc1ccsc1 ZINC000459762106 434705125 /nfs/dbraw/zinc/70/51/25/434705125.db2.gz XRIXHAHAWYCXEA-UHFFFAOYSA-N 2 2 317.502 3.448 20 0 DGADLP C(=C/c1ccncc1)\C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349406366 434706208 /nfs/dbraw/zinc/70/62/08/434706208.db2.gz LAJNDAXPGBUIHW-HNQUOIGGSA-N 2 2 310.445 3.484 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000360832749 434707508 /nfs/dbraw/zinc/70/75/08/434707508.db2.gz GMMMBJBYOHEUDK-TZMCWYRMSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000360832749 434707516 /nfs/dbraw/zinc/70/75/16/434707516.db2.gz GMMMBJBYOHEUDK-TZMCWYRMSA-N 2 2 300.368 3.320 20 0 DGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000349416720 434709461 /nfs/dbraw/zinc/70/94/61/434709461.db2.gz LHDYORPTXLNXIN-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000349416720 434709469 /nfs/dbraw/zinc/70/94/69/434709469.db2.gz LHDYORPTXLNXIN-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424373753 434715134 /nfs/dbraw/zinc/71/51/34/434715134.db2.gz YGHZFJQICMHFJK-IAGOWNOFSA-N 2 2 318.852 3.194 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000354333656 434726509 /nfs/dbraw/zinc/72/65/09/434726509.db2.gz ZOHRKNOHOJRTOV-KOHRHEQBSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000354333656 434726515 /nfs/dbraw/zinc/72/65/15/434726515.db2.gz ZOHRKNOHOJRTOV-KOHRHEQBSA-N 2 2 322.493 3.105 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c[nH+]1 ZINC000354346288 434729188 /nfs/dbraw/zinc/72/91/88/434729188.db2.gz HAHMNLWENQNKMH-CQSZACIVSA-N 2 2 312.417 3.164 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000354345900 434729738 /nfs/dbraw/zinc/72/97/38/434729738.db2.gz DWQQCYMQHBUPCU-FMKPAKJESA-N 2 2 318.461 3.022 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000354345900 434729742 /nfs/dbraw/zinc/72/97/42/434729742.db2.gz DWQQCYMQHBUPCU-FMKPAKJESA-N 2 2 318.461 3.022 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H]2CCCC[C@H]2C)CC1 ZINC000360953320 434742353 /nfs/dbraw/zinc/74/23/53/434742353.db2.gz GWYDFHQOUFJUKT-IAGOWNOFSA-N 2 2 324.509 3.210 20 0 DGADLP Cc1nc(NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc[nH+]1 ZINC000361024914 434769848 /nfs/dbraw/zinc/76/98/48/434769848.db2.gz GDYWVTJMLMCFHM-OAHLLOKOSA-N 2 2 310.445 3.282 20 0 DGADLP CCc1nnc([C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000361073526 434787697 /nfs/dbraw/zinc/78/76/97/434787697.db2.gz PCIAKGZUOYSXBA-CQSZACIVSA-N 2 2 317.437 3.082 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248833 434840948 /nfs/dbraw/zinc/84/09/48/434840948.db2.gz FWYZMURDVKORHT-OXJNMPFZSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248833 434840950 /nfs/dbraw/zinc/84/09/50/434840950.db2.gz FWYZMURDVKORHT-OXJNMPFZSA-N 2 2 312.457 3.337 20 0 DGADLP C[N@H+](CCc1cncs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000411888484 434841889 /nfs/dbraw/zinc/84/18/89/434841889.db2.gz ZMQRKPZQSUXUMX-UHFFFAOYSA-N 2 2 321.412 3.034 20 0 DGADLP C[N@@H+](CCc1cncs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000411888484 434841892 /nfs/dbraw/zinc/84/18/92/434841892.db2.gz ZMQRKPZQSUXUMX-UHFFFAOYSA-N 2 2 321.412 3.034 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1C ZINC000453253680 434842394 /nfs/dbraw/zinc/84/23/94/434842394.db2.gz CWKKRRXRQKCUPK-ROUUACIJSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1C ZINC000453253680 434842396 /nfs/dbraw/zinc/84/23/96/434842396.db2.gz CWKKRRXRQKCUPK-ROUUACIJSA-N 2 2 304.478 3.109 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453259206 434843957 /nfs/dbraw/zinc/84/39/57/434843957.db2.gz PSOUUNSRJYMYII-MDZRGWNJSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453259206 434843960 /nfs/dbraw/zinc/84/39/60/434843960.db2.gz PSOUUNSRJYMYII-MDZRGWNJSA-N 2 2 302.462 3.061 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453272816 434846052 /nfs/dbraw/zinc/84/60/52/434846052.db2.gz VIPKMKTZRJTFSV-DOTOQJQBSA-N 2 2 322.518 3.296 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453272816 434846054 /nfs/dbraw/zinc/84/60/54/434846054.db2.gz VIPKMKTZRJTFSV-DOTOQJQBSA-N 2 2 322.518 3.296 20 0 DGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000554072869 434912549 /nfs/dbraw/zinc/91/25/49/434912549.db2.gz UVFDSMZMOOLICH-DOMZBBRYSA-N 2 2 314.832 3.098 20 0 DGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000554072869 434912553 /nfs/dbraw/zinc/91/25/53/434912553.db2.gz UVFDSMZMOOLICH-DOMZBBRYSA-N 2 2 314.832 3.098 20 0 DGADLP CS[C@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)C[C@@H]1[NH+](C)C ZINC000460953844 434866926 /nfs/dbraw/zinc/86/69/26/434866926.db2.gz WAALEBWEWDJHDZ-IRXDYDNUSA-N 2 2 315.486 3.333 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000573010693 434867961 /nfs/dbraw/zinc/86/79/61/434867961.db2.gz MGSDLGUQRLYIJA-SJLPKXTDSA-N 2 2 304.478 3.159 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000573010693 434867968 /nfs/dbraw/zinc/86/79/68/434867968.db2.gz MGSDLGUQRLYIJA-SJLPKXTDSA-N 2 2 304.478 3.159 20 0 DGADLP CC[N@H+](CCC[C@@H]1CCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638104017 434952020 /nfs/dbraw/zinc/95/20/20/434952020.db2.gz FHYYPQJTVKEBBB-GOSISDBHSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+](CCC[C@@H]1CCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638104017 434952024 /nfs/dbraw/zinc/95/20/24/434952024.db2.gz FHYYPQJTVKEBBB-GOSISDBHSA-N 2 2 317.477 3.189 20 0 DGADLP CC[NH2+][C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000638095070 434953626 /nfs/dbraw/zinc/95/36/26/434953626.db2.gz PGJNRUTVUHKEOV-LLVKDONJSA-N 2 2 319.792 3.464 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CC1CCSCC1 ZINC000638185918 434973313 /nfs/dbraw/zinc/97/33/13/434973313.db2.gz FSXPGNGVTGECEF-UHFFFAOYSA-N 2 2 319.518 3.302 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000492150062 434924227 /nfs/dbraw/zinc/92/42/27/434924227.db2.gz MAWWUHDIKXPZHL-CQSZACIVSA-N 2 2 321.465 3.073 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)[nH]1 ZINC000637985532 434924902 /nfs/dbraw/zinc/92/49/02/434924902.db2.gz GVIJXBLQDLHVFC-MRXNPFEDSA-N 2 2 310.445 3.116 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462831938 434933583 /nfs/dbraw/zinc/93/35/83/434933583.db2.gz FAKCFQLHFNVFNK-GZBFAFLISA-N 2 2 300.368 3.437 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462831938 434933587 /nfs/dbraw/zinc/93/35/87/434933587.db2.gz FAKCFQLHFNVFNK-GZBFAFLISA-N 2 2 300.368 3.437 20 0 DGADLP Cn1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc2ccccc21 ZINC000638363569 435013611 /nfs/dbraw/zinc/01/36/11/435013611.db2.gz OYTROALCBUAZCD-UHFFFAOYSA-N 2 2 320.440 3.332 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC1(F)F ZINC000638384255 435019629 /nfs/dbraw/zinc/01/96/29/435019629.db2.gz BWEOKIZIJVDOJU-WBMJQRKESA-N 2 2 312.379 3.423 20 0 DGADLP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408420 435023852 /nfs/dbraw/zinc/02/38/52/435023852.db2.gz HGOSZNDIYYYZQG-HBFSDRIKSA-N 2 2 313.489 3.038 20 0 DGADLP CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408420 435023854 /nfs/dbraw/zinc/02/38/54/435023854.db2.gz HGOSZNDIYYYZQG-HBFSDRIKSA-N 2 2 313.489 3.038 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000574703159 434998056 /nfs/dbraw/zinc/99/80/56/434998056.db2.gz AOKORYFBCMTFKZ-KSSFIOAISA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000574703159 434998060 /nfs/dbraw/zinc/99/80/60/434998060.db2.gz AOKORYFBCMTFKZ-KSSFIOAISA-N 2 2 312.461 3.027 20 0 DGADLP c1csc([C@@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)c1 ZINC000638287358 434998880 /nfs/dbraw/zinc/99/88/80/434998880.db2.gz SZSSDTPOTPENDW-MRXNPFEDSA-N 2 2 308.491 3.291 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000638287948 434998924 /nfs/dbraw/zinc/99/89/24/434998924.db2.gz XTNJNGPPUXDNPE-SFHVURJKSA-N 2 2 313.420 3.335 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638336794 435006535 /nfs/dbraw/zinc/00/65/35/435006535.db2.gz XPJKBMBRWCCVCU-NQKNOSNGSA-N 2 2 316.489 3.228 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](CC)[N@H+]2CCc3ccccc3C2)C1 ZINC000638336794 435006540 /nfs/dbraw/zinc/00/65/40/435006540.db2.gz XPJKBMBRWCCVCU-NQKNOSNGSA-N 2 2 316.489 3.228 20 0 DGADLP c1c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)onc1C1CC1 ZINC000638335066 435007368 /nfs/dbraw/zinc/00/73/68/435007368.db2.gz FTVLETVLBVYFQH-UHFFFAOYSA-N 2 2 311.429 3.090 20 0 DGADLP c1c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)onc1C1CC1 ZINC000638335066 435007371 /nfs/dbraw/zinc/00/73/71/435007371.db2.gz FTVLETVLBVYFQH-UHFFFAOYSA-N 2 2 311.429 3.090 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638661120 435065721 /nfs/dbraw/zinc/06/57/21/435065721.db2.gz XYAZGZPIQNKOBK-QUCCMNQESA-N 2 2 324.472 3.361 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638661120 435065724 /nfs/dbraw/zinc/06/57/24/435065724.db2.gz XYAZGZPIQNKOBK-QUCCMNQESA-N 2 2 324.472 3.361 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+](CC)CC ZINC000531051728 435069712 /nfs/dbraw/zinc/06/97/12/435069712.db2.gz RPMSXYCDEBBLPV-MRXNPFEDSA-N 2 2 300.406 3.136 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000638758907 435083039 /nfs/dbraw/zinc/08/30/39/435083039.db2.gz DBWORQLQHFFKLY-BARLLCKDSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000638758907 435083042 /nfs/dbraw/zinc/08/30/42/435083042.db2.gz DBWORQLQHFFKLY-BARLLCKDSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H](Cc1ccccc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000558322879 435085093 /nfs/dbraw/zinc/08/50/93/435085093.db2.gz IIWLVMWUFUPCNA-MRXNPFEDSA-N 2 2 320.396 3.475 20 0 DGADLP CO[C@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)CC(C)C ZINC000638788388 435089174 /nfs/dbraw/zinc/08/91/74/435089174.db2.gz JDEPAQOOGPFIBL-APWZRJJASA-N 2 2 319.493 3.258 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466260 435037117 /nfs/dbraw/zinc/03/71/17/435037117.db2.gz IITNVXAOUPZMOK-IMFGXOCKSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638466260 435037120 /nfs/dbraw/zinc/03/71/20/435037120.db2.gz IITNVXAOUPZMOK-IMFGXOCKSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563786 435053378 /nfs/dbraw/zinc/05/33/78/435053378.db2.gz COOBIPVAINMJBI-XMZVIZOASA-N 2 2 310.445 3.012 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563786 435053380 /nfs/dbraw/zinc/05/33/80/435053380.db2.gz COOBIPVAINMJBI-XMZVIZOASA-N 2 2 310.445 3.012 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000492811669 435053700 /nfs/dbraw/zinc/05/37/00/435053700.db2.gz LAFRRWHMWYRSEQ-CDNLZTBQSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000492811669 435053703 /nfs/dbraw/zinc/05/37/03/435053703.db2.gz LAFRRWHMWYRSEQ-CDNLZTBQSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CC1(F)F ZINC000638595649 435056486 /nfs/dbraw/zinc/05/64/86/435056486.db2.gz UGPPOPHDPFUPBZ-KBPBESRZSA-N 2 2 318.477 3.371 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C(C)(C)C ZINC000638604618 435057949 /nfs/dbraw/zinc/05/79/49/435057949.db2.gz KLOWBPJXYSMPOP-JKSUJKDBSA-N 2 2 321.513 3.382 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814546 435094371 /nfs/dbraw/zinc/09/43/71/435094371.db2.gz DJVALGZZCKPZAW-YJLNNSPDSA-N 2 2 310.445 3.428 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814546 435094375 /nfs/dbraw/zinc/09/43/75/435094375.db2.gz DJVALGZZCKPZAW-YJLNNSPDSA-N 2 2 310.445 3.428 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(F)c1N ZINC000638837860 435101628 /nfs/dbraw/zinc/10/16/28/435101628.db2.gz ZJUPAESHZWMHMS-CQSZACIVSA-N 2 2 301.409 3.018 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(F)c1N ZINC000638837860 435101632 /nfs/dbraw/zinc/10/16/32/435101632.db2.gz ZJUPAESHZWMHMS-CQSZACIVSA-N 2 2 301.409 3.018 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531684113 435108814 /nfs/dbraw/zinc/10/88/14/435108814.db2.gz WFBWHPBJKWAGQM-INIZCTEOSA-N 2 2 303.381 3.306 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531684114 435109455 /nfs/dbraw/zinc/10/94/55/435109455.db2.gz WFBWHPBJKWAGQM-MRXNPFEDSA-N 2 2 303.381 3.306 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@H](C)C3)c2cc1C ZINC000558752568 435110465 /nfs/dbraw/zinc/11/04/65/435110465.db2.gz WWJYUWZSKYOLKF-IAOVAPTHSA-N 2 2 315.461 3.182 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)OC ZINC000638871295 435111027 /nfs/dbraw/zinc/11/10/27/435111027.db2.gz KUTLGWXAOQLVAL-YOEHRIQHSA-N 2 2 303.450 3.157 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+]1C ZINC000531737227 435115261 /nfs/dbraw/zinc/11/52/61/435115261.db2.gz WWWKTBWGFSSYMU-KBRIMQKVSA-N 2 2 309.885 3.015 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)CC[N@H+]1C ZINC000531737227 435115265 /nfs/dbraw/zinc/11/52/65/435115265.db2.gz WWWKTBWGFSSYMU-KBRIMQKVSA-N 2 2 309.885 3.015 20 0 DGADLP c1nc(C2CCC2)sc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560094346 435150364 /nfs/dbraw/zinc/15/03/64/435150364.db2.gz DZUCDWUGTHOFIP-UHFFFAOYSA-N 2 2 302.447 3.233 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCO[C@H]2C)[NH+](CC)CC)cc1 ZINC000559872900 435140443 /nfs/dbraw/zinc/14/04/43/435140443.db2.gz YKBGXCWHUOINKN-SNRMKQJTSA-N 2 2 304.478 3.399 20 0 DGADLP C[C@@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CCC[NH2+]C1 ZINC000423330359 297900113 /nfs/dbraw/zinc/90/01/13/297900113.db2.gz FVCKDNBBOXRCAT-RBUKOAKNSA-N 2 2 313.420 3.289 20 0 DGADLP CO[C@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000639178679 435186978 /nfs/dbraw/zinc/18/69/78/435186978.db2.gz MEMLOUFKDDIKME-LJQANCHMSA-N 2 2 302.462 3.008 20 0 DGADLP CO[C@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000639178679 435186981 /nfs/dbraw/zinc/18/69/81/435186981.db2.gz MEMLOUFKDDIKME-LJQANCHMSA-N 2 2 302.462 3.008 20 0 DGADLP CC[C@@H](C)[C@@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180048 435187000 /nfs/dbraw/zinc/18/70/00/435187000.db2.gz XEXVCGUYASCOIS-CRAIPNDOSA-N 2 2 308.466 3.237 20 0 DGADLP CC[C@@H](C)[C@@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180048 435187002 /nfs/dbraw/zinc/18/70/02/435187002.db2.gz XEXVCGUYASCOIS-CRAIPNDOSA-N 2 2 308.466 3.237 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000639188130 435190710 /nfs/dbraw/zinc/19/07/10/435190710.db2.gz QPSIBJIZYYXTSF-JYPHPWERSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000639188130 435190711 /nfs/dbraw/zinc/19/07/11/435190711.db2.gz QPSIBJIZYYXTSF-JYPHPWERSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240586 435151162 /nfs/dbraw/zinc/15/11/62/435151162.db2.gz DIBVWGLCUZPKFK-DOTOQJQBSA-N 2 2 300.446 3.364 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000532352627 435160187 /nfs/dbraw/zinc/16/01/87/435160187.db2.gz JUEMDQIJNGSVOP-AEFFLSMTSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000532352627 435160191 /nfs/dbraw/zinc/16/01/91/435160191.db2.gz JUEMDQIJNGSVOP-AEFFLSMTSA-N 2 2 311.429 3.091 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000639119361 435161368 /nfs/dbraw/zinc/16/13/68/435161368.db2.gz AKHYHFAKZVMQGN-PECVCBAESA-N 2 2 322.440 3.275 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000474802828 435161472 /nfs/dbraw/zinc/16/14/72/435161472.db2.gz UCQQPMVEEVRDHO-ZWKOTPCHSA-N 2 2 306.519 3.453 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000580311431 435222129 /nfs/dbraw/zinc/22/21/29/435222129.db2.gz IKTWOHVEBKLEOG-ZWKOTPCHSA-N 2 2 312.461 3.211 20 0 DGADLP CCOC1CC(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639297986 435232514 /nfs/dbraw/zinc/23/25/14/435232514.db2.gz ZIYSURPSMFULOR-ACBHZAAOSA-N 2 2 302.462 3.056 20 0 DGADLP CCOC1CC(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639297986 435232518 /nfs/dbraw/zinc/23/25/18/435232518.db2.gz ZIYSURPSMFULOR-ACBHZAAOSA-N 2 2 302.462 3.056 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000639351874 435257612 /nfs/dbraw/zinc/25/76/12/435257612.db2.gz LBNCEEWIYGOSCL-YLJYHZDGSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC000639351874 435257615 /nfs/dbraw/zinc/25/76/15/435257615.db2.gz LBNCEEWIYGOSCL-YLJYHZDGSA-N 2 2 313.489 3.119 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000643078006 435265368 /nfs/dbraw/zinc/26/53/68/435265368.db2.gz IIZDMDLAJGLKMX-GOSISDBHSA-N 2 2 316.424 3.009 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000534064236 435266449 /nfs/dbraw/zinc/26/64/49/435266449.db2.gz SXYBIJXQFLVKQC-SFFUCWETSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[N@H+]1CCCC[C@H]1C ZINC000534064236 435266453 /nfs/dbraw/zinc/26/64/53/435266453.db2.gz SXYBIJXQFLVKQC-SFFUCWETSA-N 2 2 306.494 3.187 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991231 435280420 /nfs/dbraw/zinc/28/04/20/435280420.db2.gz RJYHAAADZCIWBA-GOEBONIOSA-N 2 2 319.449 3.009 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991231 435280426 /nfs/dbraw/zinc/28/04/26/435280426.db2.gz RJYHAAADZCIWBA-GOEBONIOSA-N 2 2 319.449 3.009 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000584207217 435284170 /nfs/dbraw/zinc/28/41/70/435284170.db2.gz ZVRZIJHIYVJUNG-GFCCVEGCSA-N 2 2 314.271 3.225 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000584207217 435284173 /nfs/dbraw/zinc/28/41/73/435284173.db2.gz ZVRZIJHIYVJUNG-GFCCVEGCSA-N 2 2 314.271 3.225 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000648401708 435287156 /nfs/dbraw/zinc/28/71/56/435287156.db2.gz FNHJPYWTUCIHBU-OAGGEKHMSA-N 2 2 308.491 3.432 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412746 435290813 /nfs/dbraw/zinc/29/08/13/435290813.db2.gz ZDWUCCVDQYWVND-WOUAJJJCSA-N 2 2 316.489 3.369 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412746 435290818 /nfs/dbraw/zinc/29/08/18/435290818.db2.gz ZDWUCCVDQYWVND-WOUAJJJCSA-N 2 2 316.489 3.369 20 0 DGADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000567171453 435293507 /nfs/dbraw/zinc/29/35/07/435293507.db2.gz CKWFYUNUPWMHOK-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000567171453 435293513 /nfs/dbraw/zinc/29/35/13/435293513.db2.gz CKWFYUNUPWMHOK-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)n1 ZINC000639453211 435302508 /nfs/dbraw/zinc/30/25/08/435302508.db2.gz FSVQQKHPCOMVRX-UHFFFAOYSA-N 2 2 301.478 3.457 20 0 DGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000648450108 435304468 /nfs/dbraw/zinc/30/44/68/435304468.db2.gz VFGYKWUWEQYVRU-HFCFLWKCSA-N 2 2 306.494 3.331 20 0 DGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000648450108 435304474 /nfs/dbraw/zinc/30/44/74/435304474.db2.gz VFGYKWUWEQYVRU-HFCFLWKCSA-N 2 2 306.494 3.331 20 0 DGADLP CCCc1ccc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000567286112 435304994 /nfs/dbraw/zinc/30/49/94/435304994.db2.gz APZBQTCAUKXGCC-QGZVFWFLSA-N 2 2 316.489 3.324 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCO1 ZINC000648484889 435316856 /nfs/dbraw/zinc/31/68/56/435316856.db2.gz XKGDMXYMMRNFSR-ZYSHUDEJSA-N 2 2 317.477 3.154 20 0 DGADLP COc1ccc([C@@H](CO)[N@H+](C)Cc2c(C)cc(C)[nH+]c2C)cc1 ZINC000639488044 435316988 /nfs/dbraw/zinc/31/69/88/435316988.db2.gz CAZVBFDWJBBQKO-LJQANCHMSA-N 2 2 314.429 3.181 20 0 DGADLP COc1ccc([C@@H](CO)[N@@H+](C)Cc2c(C)cc(C)[nH+]c2C)cc1 ZINC000639488044 435316989 /nfs/dbraw/zinc/31/69/89/435316989.db2.gz CAZVBFDWJBBQKO-LJQANCHMSA-N 2 2 314.429 3.181 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240765 435325549 /nfs/dbraw/zinc/32/55/49/435325549.db2.gz GMVXUADWZNDPRA-FUHWJXTLSA-N 2 2 322.880 3.274 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240765 435325554 /nfs/dbraw/zinc/32/55/54/435325554.db2.gz GMVXUADWZNDPRA-FUHWJXTLSA-N 2 2 322.880 3.274 20 0 DGADLP COC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456296 435327239 /nfs/dbraw/zinc/32/72/39/435327239.db2.gz BGFGKRGMQRXUFC-NILFDRSVSA-N 2 2 316.367 3.123 20 0 DGADLP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1F ZINC000643465987 435332372 /nfs/dbraw/zinc/33/23/72/435332372.db2.gz HGHKDKLTAQNSEJ-OWYVNGRQSA-N 2 2 316.342 3.253 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000643478698 435334373 /nfs/dbraw/zinc/33/43/73/435334373.db2.gz XTSZPPBDPMWHFS-HOTGVXAUSA-N 2 2 308.381 3.139 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000639541832 435335320 /nfs/dbraw/zinc/33/53/20/435335320.db2.gz CBNIVYFLFCVZFS-KXBFYZLASA-N 2 2 311.429 3.039 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1n1cc[nH+]c1 ZINC000639541832 435335325 /nfs/dbraw/zinc/33/53/25/435335325.db2.gz CBNIVYFLFCVZFS-KXBFYZLASA-N 2 2 311.429 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000643501085 435336142 /nfs/dbraw/zinc/33/61/42/435336142.db2.gz SOZQDBZNGUYOLU-YPMHNXCESA-N 2 2 302.340 3.378 20 0 DGADLP Cc1cccc2nc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cn21 ZINC000535577225 435337069 /nfs/dbraw/zinc/33/70/69/435337069.db2.gz ZDEGBUUGWLXLGE-UHFFFAOYSA-N 2 2 321.428 3.114 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000643501162 435337255 /nfs/dbraw/zinc/33/72/55/435337255.db2.gz YMJJKWZHULQATH-WCQYABFASA-N 2 2 314.376 3.089 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000643501014 435337499 /nfs/dbraw/zinc/33/74/99/435337499.db2.gz PFLOFMPRWMFBTB-DGCLKSJQSA-N 2 2 302.340 3.378 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000643501015 435337621 /nfs/dbraw/zinc/33/76/21/435337621.db2.gz PFLOFMPRWMFBTB-WCQYABFASA-N 2 2 302.340 3.378 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000643508402 435338217 /nfs/dbraw/zinc/33/82/17/435338217.db2.gz DOPCQUPSVVODNV-GOSISDBHSA-N 2 2 301.409 3.288 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643502512 435338727 /nfs/dbraw/zinc/33/87/27/435338727.db2.gz IXBPQIXHRHXNJT-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000643501603 435338919 /nfs/dbraw/zinc/33/89/19/435338919.db2.gz LUURRZJNGHAQPO-CZUORRHYSA-N 2 2 316.424 3.113 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000643502515 435339784 /nfs/dbraw/zinc/33/97/84/435339784.db2.gz IYPNARZLDMYBLE-BPQIPLTHSA-N 2 2 322.880 3.162 20 0 DGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[NH2+]C1CC1)CCCC2 ZINC000643506986 435339949 /nfs/dbraw/zinc/33/99/49/435339949.db2.gz OPYWISDFYXPDDF-SFHVURJKSA-N 2 2 300.446 3.121 20 0 DGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(SCC(F)F)cc1 ZINC000643506996 435340032 /nfs/dbraw/zinc/34/00/32/435340032.db2.gz OVUZCGSBYOEDMA-LLVKDONJSA-N 2 2 300.418 3.446 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000643521770 435340702 /nfs/dbraw/zinc/34/07/02/435340702.db2.gz BKNGZZVSJQAIPG-MAUKXSAKSA-N 2 2 317.383 3.181 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1sccc1Br ZINC000643525811 435344767 /nfs/dbraw/zinc/34/47/67/435344767.db2.gz QJFGDNWKNRDQTG-BBBLOLIVSA-N 2 2 303.269 3.302 20 0 DGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537569 435347677 /nfs/dbraw/zinc/34/76/77/435347677.db2.gz LUNRPDMBQAVHQD-WXHSDQCUSA-N 2 2 300.805 3.089 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567870955 435365366 /nfs/dbraw/zinc/36/53/66/435365366.db2.gz AJAAGXDDPQWYEH-UYAOXDASSA-N 2 2 322.452 3.307 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567870955 435365373 /nfs/dbraw/zinc/36/53/73/435365373.db2.gz AJAAGXDDPQWYEH-UYAOXDASSA-N 2 2 322.452 3.307 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000512297208 435354634 /nfs/dbraw/zinc/35/46/34/435354634.db2.gz VZAKGWMJGWXJJI-CHWSQXEVSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000512297208 435354637 /nfs/dbraw/zinc/35/46/37/435354637.db2.gz VZAKGWMJGWXJJI-CHWSQXEVSA-N 2 2 311.267 3.394 20 0 DGADLP Cc1ccc(C2CC[NH+](Cc3nc(CC4CC4)no3)CC2)c[nH+]1 ZINC000639582646 435356443 /nfs/dbraw/zinc/35/64/43/435356443.db2.gz JCUBLIZOMSXHFU-UHFFFAOYSA-N 2 2 312.417 3.105 20 0 DGADLP COC(=O)[C@@H](C)[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000567782084 435356711 /nfs/dbraw/zinc/35/67/11/435356711.db2.gz YQVYJEADJANWTN-MAUKXSAKSA-N 2 2 312.413 3.073 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C1 ZINC000512567957 435361448 /nfs/dbraw/zinc/36/14/48/435361448.db2.gz DSZARQSFPUOTMB-CJNGLKHVSA-N 2 2 305.853 3.225 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C1 ZINC000512567957 435361452 /nfs/dbraw/zinc/36/14/52/435361452.db2.gz DSZARQSFPUOTMB-CJNGLKHVSA-N 2 2 305.853 3.225 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000512576038 435363920 /nfs/dbraw/zinc/36/39/20/435363920.db2.gz AKRDLIGHHFTMCM-XOKHGSTOSA-N 2 2 310.869 3.490 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000512576038 435363926 /nfs/dbraw/zinc/36/39/26/435363926.db2.gz AKRDLIGHHFTMCM-XOKHGSTOSA-N 2 2 310.869 3.490 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665221 435403080 /nfs/dbraw/zinc/40/30/80/435403080.db2.gz YPWWIUVTJWBOAS-QGZVFWFLSA-N 2 2 324.472 3.307 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665221 435403082 /nfs/dbraw/zinc/40/30/82/435403082.db2.gz YPWWIUVTJWBOAS-QGZVFWFLSA-N 2 2 324.472 3.307 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665221 435403086 /nfs/dbraw/zinc/40/30/86/435403086.db2.gz YPWWIUVTJWBOAS-QGZVFWFLSA-N 2 2 324.472 3.307 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665221 435403089 /nfs/dbraw/zinc/40/30/89/435403089.db2.gz YPWWIUVTJWBOAS-QGZVFWFLSA-N 2 2 324.472 3.307 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)C[NH+]3CCC(C)(C)C3)c2C1 ZINC000568192409 435407456 /nfs/dbraw/zinc/40/74/56/435407456.db2.gz JWVCFFSWIJPWCI-UHFFFAOYSA-N 2 2 315.461 3.083 20 0 DGADLP CCC[NH+]1Cc2cccc(NC(=O)C[N@@H+]3CCC(C)(C)C3)c2C1 ZINC000568192409 435407461 /nfs/dbraw/zinc/40/74/61/435407461.db2.gz JWVCFFSWIJPWCI-UHFFFAOYSA-N 2 2 315.461 3.083 20 0 DGADLP CCC[NH+]1Cc2cccc(NC(=O)C[N@H+]3CCC(C)(C)C3)c2C1 ZINC000568192409 435407466 /nfs/dbraw/zinc/40/74/66/435407466.db2.gz JWVCFFSWIJPWCI-UHFFFAOYSA-N 2 2 315.461 3.083 20 0 DGADLP C[NH+]1CCC2(CC[N@H+](Cc3noc(C4CCCCC4)n3)C2)CC1 ZINC000639757405 435408933 /nfs/dbraw/zinc/40/89/33/435408933.db2.gz LBWNWYIVZNKSNS-UHFFFAOYSA-N 2 2 318.465 3.035 20 0 DGADLP C[NH+]1CCC2(CC[N@@H+](Cc3noc(C4CCCCC4)n3)C2)CC1 ZINC000639757405 435408938 /nfs/dbraw/zinc/40/89/38/435408938.db2.gz LBWNWYIVZNKSNS-UHFFFAOYSA-N 2 2 318.465 3.035 20 0 DGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481310388 435419740 /nfs/dbraw/zinc/41/97/40/435419740.db2.gz JSFTYHWVNSTDRY-IAGOWNOFSA-N 2 2 316.489 3.433 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015637 435421286 /nfs/dbraw/zinc/42/12/86/435421286.db2.gz GZSYLOVZUSTEMC-SUMWQHHRSA-N 2 2 317.433 3.162 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015637 435421288 /nfs/dbraw/zinc/42/12/88/435421288.db2.gz GZSYLOVZUSTEMC-SUMWQHHRSA-N 2 2 317.433 3.162 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480220627 435368796 /nfs/dbraw/zinc/36/87/96/435368796.db2.gz DGCAUUOZLCUQQO-IXDOHACOSA-N 2 2 304.478 3.399 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000480220627 435368802 /nfs/dbraw/zinc/36/88/02/435368802.db2.gz DGCAUUOZLCUQQO-IXDOHACOSA-N 2 2 304.478 3.399 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000536067749 435369300 /nfs/dbraw/zinc/36/93/00/435369300.db2.gz YJHCUSDUTMJJAV-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000536067749 435369306 /nfs/dbraw/zinc/36/93/06/435369306.db2.gz YJHCUSDUTMJJAV-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@]2(CO)CCCc3ccccc32)c(C)[nH+]1 ZINC000639624022 435369974 /nfs/dbraw/zinc/36/99/74/435369974.db2.gz CGCWGBLEHYXALN-FQEVSTJZSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000480238572 435372072 /nfs/dbraw/zinc/37/20/72/435372072.db2.gz DQMKQEQKOWAQAX-BZSNNMDCSA-N 2 2 304.478 3.453 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000513095974 435376550 /nfs/dbraw/zinc/37/65/50/435376550.db2.gz ROXKDAFVYQMFHF-IHPCNDPISA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000513095974 435376555 /nfs/dbraw/zinc/37/65/55/435376555.db2.gz ROXKDAFVYQMFHF-IHPCNDPISA-N 2 2 315.505 3.113 20 0 DGADLP COC1(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000480399123 435376850 /nfs/dbraw/zinc/37/68/50/435376850.db2.gz XKDNULIXGFVMCK-AEFFLSMTSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000480399123 435376856 /nfs/dbraw/zinc/37/68/56/435376856.db2.gz XKDNULIXGFVMCK-AEFFLSMTSA-N 2 2 302.462 3.371 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000513116540 435377194 /nfs/dbraw/zinc/37/71/94/435377194.db2.gz HEDIEXXQGLDUGE-RLLQIKCJSA-N 2 2 315.505 3.286 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000513116540 435377198 /nfs/dbraw/zinc/37/71/98/435377198.db2.gz HEDIEXXQGLDUGE-RLLQIKCJSA-N 2 2 315.505 3.286 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)sn1 ZINC000643889189 435379381 /nfs/dbraw/zinc/37/93/81/435379381.db2.gz JKKMUSDYEJDMIL-AWEZNQCLSA-N 2 2 316.474 3.162 20 0 DGADLP C[C@H](CCCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674332 435379749 /nfs/dbraw/zinc/37/97/49/435379749.db2.gz QOMNVBZMLTZBCO-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674332 435379753 /nfs/dbraw/zinc/37/97/53/435379753.db2.gz QOMNVBZMLTZBCO-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc(C2CC2)[nH+]1 ZINC000537090776 435423662 /nfs/dbraw/zinc/42/36/62/435423662.db2.gz YKFKQGKJIZMLGQ-UHFFFAOYSA-N 2 2 305.385 3.087 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662166 435387774 /nfs/dbraw/zinc/38/77/74/435387774.db2.gz JTDDMPJOWJZEHN-UKRRQHHQSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662166 435387780 /nfs/dbraw/zinc/38/77/80/435387780.db2.gz JTDDMPJOWJZEHN-UKRRQHHQSA-N 2 2 300.368 3.439 20 0 DGADLP Cc1nccnc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000639675981 435389025 /nfs/dbraw/zinc/38/90/25/435389025.db2.gz KDLJGPXUOKBTCS-UHFFFAOYSA-N 2 2 321.428 3.116 20 0 DGADLP c1cn(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c[nH+]1 ZINC000536573621 435390352 /nfs/dbraw/zinc/39/03/52/435390352.db2.gz HHBRHBGFWYCPMM-CQSZACIVSA-N 2 2 312.442 3.372 20 0 DGADLP c1cn(CC[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c[nH+]1 ZINC000536573621 435390356 /nfs/dbraw/zinc/39/03/56/435390356.db2.gz HHBRHBGFWYCPMM-CQSZACIVSA-N 2 2 312.442 3.372 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[NH+]2CCCCCC2)C2CC2)c1 ZINC000513495978 435391896 /nfs/dbraw/zinc/39/18/96/435391896.db2.gz XVDDKRFSHIPEJM-HXUWFJFHSA-N 2 2 316.489 3.482 20 0 DGADLP COC(=O)[C@@H](CC1CCCCC1)[NH2+]CCCc1c[nH+]ccc1C ZINC000568118037 435392901 /nfs/dbraw/zinc/39/29/01/435392901.db2.gz CPMPURHQLFOPOY-GOSISDBHSA-N 2 2 318.461 3.424 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000480754309 435393923 /nfs/dbraw/zinc/39/39/23/435393923.db2.gz DHJIRVOLIMMTDS-UFYCRDLUSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000480754309 435393928 /nfs/dbraw/zinc/39/39/28/435393928.db2.gz DHJIRVOLIMMTDS-UFYCRDLUSA-N 2 2 316.489 3.302 20 0 DGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000648721934 435396527 /nfs/dbraw/zinc/39/65/27/435396527.db2.gz SQWIWVDOYOPNFH-NSHDSACASA-N 2 2 311.389 3.220 20 0 DGADLP Cc1[nH]c(CNCC2([NH+]3CCCCC3)CCCCC2)[nH+]c1C ZINC000568533134 435447024 /nfs/dbraw/zinc/44/70/24/435447024.db2.gz QAWDUUDSLLIOMU-UHFFFAOYSA-N 2 2 304.482 3.305 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639916766 435458721 /nfs/dbraw/zinc/45/87/21/435458721.db2.gz BAAGEDIVNFBVNM-MRXNPFEDSA-N 2 2 324.346 3.275 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000482352550 435463225 /nfs/dbraw/zinc/46/32/25/435463225.db2.gz PKBCRCOORJJFKT-UHOSZYNNSA-N 2 2 304.478 3.473 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000482352550 435463230 /nfs/dbraw/zinc/46/32/30/435463230.db2.gz PKBCRCOORJJFKT-UHOSZYNNSA-N 2 2 304.478 3.473 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+]CC1(O)CCC1)c1ccc(Cl)cc1 ZINC000644644836 435476364 /nfs/dbraw/zinc/47/63/64/435476364.db2.gz JGVNTMTYJPUYGX-MRXNPFEDSA-N 2 2 310.869 3.228 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+]CC1(O)CCC1)c1ccc(Cl)cc1 ZINC000644644836 435476368 /nfs/dbraw/zinc/47/63/68/435476368.db2.gz JGVNTMTYJPUYGX-MRXNPFEDSA-N 2 2 310.869 3.228 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000537970734 435478219 /nfs/dbraw/zinc/47/82/19/435478219.db2.gz JKFAMRKASUJYIK-QISBLDNZSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000537970734 435478222 /nfs/dbraw/zinc/47/82/22/435478222.db2.gz JKFAMRKASUJYIK-QISBLDNZSA-N 2 2 322.880 3.488 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000639984141 435479624 /nfs/dbraw/zinc/47/96/24/435479624.db2.gz QBZQOXBWEZEZGO-UHFFFAOYSA-N 2 2 318.436 3.349 20 0 DGADLP CC(C)[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000538559406 435507390 /nfs/dbraw/zinc/50/73/90/435507390.db2.gz WRCWOIGTXSORHB-FUHWJXTLSA-N 2 2 302.466 3.068 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2CCC23CCOCC3)ccc1-n1cc[nH+]c1 ZINC000569200124 435512453 /nfs/dbraw/zinc/51/24/53/435512453.db2.gz NJFWZXIRAMICFS-QGZVFWFLSA-N 2 2 315.392 3.060 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000640129431 435523245 /nfs/dbraw/zinc/52/32/45/435523245.db2.gz ZPKXUUIDQQHMDB-HOCLYGCPSA-N 2 2 318.465 3.283 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)c2ccccc21 ZINC000516450529 435530401 /nfs/dbraw/zinc/53/04/01/435530401.db2.gz ZQCMSBSXEYRDCO-MOPGFXCFSA-N 2 2 322.456 3.306 20 0 DGADLP CCc1ccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)nc1 ZINC000639986832 435481541 /nfs/dbraw/zinc/48/15/41/435481541.db2.gz TZTZMYICTYLMDE-UHFFFAOYSA-N 2 2 301.478 3.484 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000569603223 435547088 /nfs/dbraw/zinc/54/70/88/435547088.db2.gz YAYNVLALRZKTGW-RDTXWAMCSA-N 2 2 312.417 3.231 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000569706645 435554944 /nfs/dbraw/zinc/55/49/44/435554944.db2.gz QZJXZMGIQOGKOI-CQSZACIVSA-N 2 2 319.836 3.332 20 0 DGADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000539499858 435556179 /nfs/dbraw/zinc/55/61/79/435556179.db2.gz LPIIXTWYIYYQBR-IAGOWNOFSA-N 2 2 319.493 3.335 20 0 DGADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000569985742 435577294 /nfs/dbraw/zinc/57/72/94/435577294.db2.gz RNBHWCQXDKLCRS-UONOGXRCSA-N 2 2 301.409 3.500 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@@H]1[NH3+] ZINC000649416551 435582401 /nfs/dbraw/zinc/58/24/01/435582401.db2.gz DPDUSBAFOQSMOJ-OCCSQVGLSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@@H]1[NH3+] ZINC000649416551 435582405 /nfs/dbraw/zinc/58/24/05/435582405.db2.gz DPDUSBAFOQSMOJ-OCCSQVGLSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000649417160 435582505 /nfs/dbraw/zinc/58/25/05/435582505.db2.gz ZGCXIKHNYQJFGP-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000649417160 435582512 /nfs/dbraw/zinc/58/25/12/435582512.db2.gz ZGCXIKHNYQJFGP-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000649413687 435583197 /nfs/dbraw/zinc/58/31/97/435583197.db2.gz ZJHIMQCICYQGEK-YJBOKZPZSA-N 2 2 312.461 3.364 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000649413687 435583202 /nfs/dbraw/zinc/58/32/02/435583202.db2.gz ZJHIMQCICYQGEK-YJBOKZPZSA-N 2 2 312.461 3.364 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000484179571 435539310 /nfs/dbraw/zinc/53/93/10/435539310.db2.gz ZSGMEVKUVXDDBG-IAGOWNOFSA-N 2 2 304.478 3.258 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000484179573 435539916 /nfs/dbraw/zinc/53/99/16/435539916.db2.gz ZSGMEVKUVXDDBG-SJORKVTESA-N 2 2 304.478 3.258 20 0 DGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484476201 435546371 /nfs/dbraw/zinc/54/63/71/435546371.db2.gz UXZVEBWKGCLNNB-XWIAVFTESA-N 2 2 322.493 3.476 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561803 435625117 /nfs/dbraw/zinc/62/51/17/435625117.db2.gz JZZNNOXDXFPHNW-MAUKXSAKSA-N 2 2 305.466 3.031 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561803 435625119 /nfs/dbraw/zinc/62/51/19/435625119.db2.gz JZZNNOXDXFPHNW-MAUKXSAKSA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561803 435625123 /nfs/dbraw/zinc/62/51/23/435625123.db2.gz JZZNNOXDXFPHNW-MAUKXSAKSA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561803 435625127 /nfs/dbraw/zinc/62/51/27/435625127.db2.gz JZZNNOXDXFPHNW-MAUKXSAKSA-N 2 2 305.466 3.031 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000649565620 435628177 /nfs/dbraw/zinc/62/81/77/435628177.db2.gz NYOZFPKRCFOQHC-CRAIPNDOSA-N 2 2 314.433 3.148 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000649565620 435628182 /nfs/dbraw/zinc/62/81/82/435628182.db2.gz NYOZFPKRCFOQHC-CRAIPNDOSA-N 2 2 314.433 3.148 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)c1cncnc1C)[N@@H+]1CCc2ccccc2C1 ZINC000517391241 435593650 /nfs/dbraw/zinc/59/36/50/435593650.db2.gz PBJNWQWZZASMLZ-BEFAXECRSA-N 2 2 324.472 3.273 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)c1cncnc1C)[N@H+]1CCc2ccccc2C1 ZINC000517391241 435593653 /nfs/dbraw/zinc/59/36/53/435593653.db2.gz PBJNWQWZZASMLZ-BEFAXECRSA-N 2 2 324.472 3.273 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000517371350 435594062 /nfs/dbraw/zinc/59/40/62/435594062.db2.gz RSOREBLWVUGICG-LBPRGKRZSA-N 2 2 305.422 3.120 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000517371350 435594066 /nfs/dbraw/zinc/59/40/66/435594066.db2.gz RSOREBLWVUGICG-LBPRGKRZSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCc2cccnc2)cc1 ZINC000540328936 435597204 /nfs/dbraw/zinc/59/72/04/435597204.db2.gz WSBHQKCFCUWWRE-INIZCTEOSA-N 2 2 322.412 3.208 20 0 DGADLP CCN(CC)C(=O)C1([NH2+]CCc2cc[nH+]cc2C)CCCCC1 ZINC000518764138 435652350 /nfs/dbraw/zinc/65/23/50/435652350.db2.gz WMKJFJPGYNYKBY-UHFFFAOYSA-N 2 2 317.477 3.093 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000518398437 435638638 /nfs/dbraw/zinc/63/86/38/435638638.db2.gz RUUBXGPGXVQSBN-SFHVURJKSA-N 2 2 315.505 3.365 20 0 DGADLP COc1cncc(/C=C\CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000645793759 435692369 /nfs/dbraw/zinc/69/23/69/435692369.db2.gz RVTBAMZCTDGZAX-NCSHICFUSA-N 2 2 312.417 3.027 20 0 DGADLP COc1cncc(/C=C\CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000645793759 435692372 /nfs/dbraw/zinc/69/23/72/435692372.db2.gz RVTBAMZCTDGZAX-NCSHICFUSA-N 2 2 312.417 3.027 20 0 DGADLP C[C@H]1CC[N@H+](CCc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000645837218 435702887 /nfs/dbraw/zinc/70/28/87/435702887.db2.gz LHKRKWRUMQEKCJ-GUYCJALGSA-N 2 2 305.372 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000645837218 435702894 /nfs/dbraw/zinc/70/28/94/435702894.db2.gz LHKRKWRUMQEKCJ-GUYCJALGSA-N 2 2 305.372 3.287 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@@H](C)CCO ZINC000649871145 435729614 /nfs/dbraw/zinc/72/96/14/435729614.db2.gz SYTSRIUSPAYTBF-HNNXBMFYSA-N 2 2 303.450 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@@H](C)CCO ZINC000649871145 435729618 /nfs/dbraw/zinc/72/96/18/435729618.db2.gz SYTSRIUSPAYTBF-HNNXBMFYSA-N 2 2 303.450 3.218 20 0 DGADLP CC(C)(C)c1cc[nH+]c(NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000641348502 435731523 /nfs/dbraw/zinc/73/15/23/435731523.db2.gz YHXONEWQXJOIFS-UHFFFAOYSA-N 2 2 317.477 3.436 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](CCSc2ccc(F)cc2F)CC1 ZINC000660415827 435731848 /nfs/dbraw/zinc/73/18/48/435731848.db2.gz JLXTWTFNJVHMRZ-AWEZNQCLSA-N 2 2 314.445 3.473 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)CC1 ZINC000660415827 435731861 /nfs/dbraw/zinc/73/18/61/435731861.db2.gz JLXTWTFNJVHMRZ-AWEZNQCLSA-N 2 2 314.445 3.473 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655694695 435734122 /nfs/dbraw/zinc/73/41/22/435734122.db2.gz JTGTYNVFIFPIRM-LJQANCHMSA-N 2 2 324.472 3.281 20 0 DGADLP C[N@@H+]1CCC[C@@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1cccs1 ZINC000641394302 435735065 /nfs/dbraw/zinc/73/50/65/435735065.db2.gz LNLVETUQGNAGCV-YOEHRIQHSA-N 2 2 317.458 3.130 20 0 DGADLP C[N@H+]1CCC[C@@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1cccs1 ZINC000641394302 435735069 /nfs/dbraw/zinc/73/50/69/435735069.db2.gz LNLVETUQGNAGCV-YOEHRIQHSA-N 2 2 317.458 3.130 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000655703751 435736914 /nfs/dbraw/zinc/73/69/14/435736914.db2.gz USGDVVNFRGGIQA-OALUTQOASA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000655703751 435736921 /nfs/dbraw/zinc/73/69/21/435736921.db2.gz USGDVVNFRGGIQA-OALUTQOASA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000520406625 435743383 /nfs/dbraw/zinc/74/33/83/435743383.db2.gz NOGUQBROFFOXEI-KONPQCLYSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000520406625 435743393 /nfs/dbraw/zinc/74/33/93/435743393.db2.gz NOGUQBROFFOXEI-KONPQCLYSA-N 2 2 305.441 3.162 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000655716050 435743692 /nfs/dbraw/zinc/74/36/92/435743692.db2.gz PPFNRVKNUVZBGO-SJLPKXTDSA-N 2 2 302.462 3.207 20 0 DGADLP Cc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000664632370 435749085 /nfs/dbraw/zinc/74/90/85/435749085.db2.gz RINSBQHXHVVZGP-KRWDZBQOSA-N 2 2 308.429 3.349 20 0 DGADLP Cc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000664632370 435749095 /nfs/dbraw/zinc/74/90/95/435749095.db2.gz RINSBQHXHVVZGP-KRWDZBQOSA-N 2 2 308.429 3.349 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655727475 435754086 /nfs/dbraw/zinc/75/40/86/435754086.db2.gz OAKLNXAIQHKSTD-ALKREAHSSA-N 2 2 300.446 3.078 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000655733022 435756881 /nfs/dbraw/zinc/75/68/81/435756881.db2.gz IDLULZQSEDBMOU-JOCLIGHLSA-N 2 2 314.473 3.022 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000664677516 435760764 /nfs/dbraw/zinc/76/07/64/435760764.db2.gz AHJCCUICROJRRE-OAHLLOKOSA-N 2 2 300.450 3.196 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000664677516 435760769 /nfs/dbraw/zinc/76/07/69/435760769.db2.gz AHJCCUICROJRRE-OAHLLOKOSA-N 2 2 300.450 3.196 20 0 DGADLP c1[nH+]c([C@H]2CCC[N@@H+](CCC[C@@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897816 435713953 /nfs/dbraw/zinc/71/39/53/435713953.db2.gz VPKJUETXHACYID-SJORKVTESA-N 2 2 317.477 3.216 20 0 DGADLP c1[nH+]c([C@H]2CCC[N@H+](CCC[C@@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897816 435713956 /nfs/dbraw/zinc/71/39/56/435713956.db2.gz VPKJUETXHACYID-SJORKVTESA-N 2 2 317.477 3.216 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)C2 ZINC000491258395 435721104 /nfs/dbraw/zinc/72/11/04/435721104.db2.gz DASKUIHYNQXJMV-MIALQEHNSA-N 2 2 316.489 3.317 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)C2 ZINC000491258395 435721108 /nfs/dbraw/zinc/72/11/08/435721108.db2.gz DASKUIHYNQXJMV-MIALQEHNSA-N 2 2 316.489 3.317 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CCC4)CC2)nc1 ZINC000651681059 435791284 /nfs/dbraw/zinc/79/12/84/435791284.db2.gz APAATZWIIPNMJA-UHFFFAOYSA-N 2 2 321.468 3.325 20 0 DGADLP CCn1cc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000641709240 435795311 /nfs/dbraw/zinc/79/53/11/435795311.db2.gz IBICWEXIQVNXBH-UHFFFAOYSA-N 2 2 323.444 3.337 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccncc2N)c(C)c1 ZINC000641740770 435804313 /nfs/dbraw/zinc/80/43/13/435804313.db2.gz CNICVTCZNREKDF-IBGZPJMESA-N 2 2 321.428 3.008 20 0 DGADLP Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000641771835 435815525 /nfs/dbraw/zinc/81/55/25/435815525.db2.gz JDWDFKRDXWSGDD-GFCCVEGCSA-N 2 2 308.223 3.305 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000551006710 435815537 /nfs/dbraw/zinc/81/55/37/435815537.db2.gz IKMHEYLKSDUFQJ-RTBURBONSA-N 3 2 312.461 3.088 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000551006710 435815543 /nfs/dbraw/zinc/81/55/43/435815543.db2.gz IKMHEYLKSDUFQJ-RTBURBONSA-N 3 2 312.461 3.088 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCOC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000551015710 435816953 /nfs/dbraw/zinc/81/69/53/435816953.db2.gz ZGQDGWQYQFCRGR-RBUKOAKNSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCOC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000551015710 435816961 /nfs/dbraw/zinc/81/69/61/435816961.db2.gz ZGQDGWQYQFCRGR-RBUKOAKNSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCOC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000551015708 435817244 /nfs/dbraw/zinc/81/72/44/435817244.db2.gz ZGQDGWQYQFCRGR-MOPGFXCFSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCOC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000551015708 435817251 /nfs/dbraw/zinc/81/72/51/435817251.db2.gz ZGQDGWQYQFCRGR-MOPGFXCFSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000651756016 435818883 /nfs/dbraw/zinc/81/88/83/435818883.db2.gz GRUPZIGQIFMDAJ-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000651756016 435818885 /nfs/dbraw/zinc/81/88/85/435818885.db2.gz GRUPZIGQIFMDAJ-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000651756016 435818889 /nfs/dbraw/zinc/81/88/89/435818889.db2.gz GRUPZIGQIFMDAJ-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000651756016 435818892 /nfs/dbraw/zinc/81/88/92/435818892.db2.gz GRUPZIGQIFMDAJ-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000660466624 435763558 /nfs/dbraw/zinc/76/35/58/435763558.db2.gz VFKKZLXSUKMRMY-HLXURNFRSA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000660466624 435763567 /nfs/dbraw/zinc/76/35/67/435763567.db2.gz VFKKZLXSUKMRMY-HLXURNFRSA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473668 435767451 /nfs/dbraw/zinc/76/74/51/435767451.db2.gz SIJSPHOHEAZUDU-ICSRJNTNSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473668 435767456 /nfs/dbraw/zinc/76/74/56/435767456.db2.gz SIJSPHOHEAZUDU-ICSRJNTNSA-N 2 2 316.489 3.194 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655748786 435768730 /nfs/dbraw/zinc/76/87/30/435768730.db2.gz JGJRHRDGVZANBB-MGPUTAFESA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000655748786 435768738 /nfs/dbraw/zinc/76/87/38/435768738.db2.gz JGJRHRDGVZANBB-MGPUTAFESA-N 2 2 324.472 3.061 20 0 DGADLP Fc1c[nH+]ccc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000641591760 435770636 /nfs/dbraw/zinc/77/06/36/435770636.db2.gz HUWZUUXHLVGGIS-LJQANCHMSA-N 2 2 311.404 3.323 20 0 DGADLP Fc1c[nH+]ccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000641591760 435770637 /nfs/dbraw/zinc/77/06/37/435770637.db2.gz HUWZUUXHLVGGIS-LJQANCHMSA-N 2 2 311.404 3.323 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)[C@H](C)C2 ZINC000655751277 435772598 /nfs/dbraw/zinc/77/25/98/435772598.db2.gz KKGFQEJHNAXFBS-XFQXTVEOSA-N 2 2 314.473 3.071 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)[C@@H](C)C2 ZINC000655751276 435773875 /nfs/dbraw/zinc/77/38/75/435773875.db2.gz KKGFQEJHNAXFBS-QKYXUNIQSA-N 2 2 314.473 3.071 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1OC(F)(F)F)C[NH+](C)C ZINC000491588750 435778047 /nfs/dbraw/zinc/77/80/47/435778047.db2.gz LBZSSZXUOUKGLO-JTQLQIEISA-N 2 2 308.319 3.012 20 0 DGADLP COc1cc(OC)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000651645118 435779668 /nfs/dbraw/zinc/77/96/68/435779668.db2.gz IWVDFKLDXZKCJO-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(OC)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000651645118 435779671 /nfs/dbraw/zinc/77/96/71/435779671.db2.gz IWVDFKLDXZKCJO-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(OC)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000651645118 435779675 /nfs/dbraw/zinc/77/96/75/435779675.db2.gz IWVDFKLDXZKCJO-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(OC)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000651645118 435779678 /nfs/dbraw/zinc/77/96/78/435779678.db2.gz IWVDFKLDXZKCJO-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCCC2(C)C)C1 ZINC000549859987 435779913 /nfs/dbraw/zinc/77/99/13/435779913.db2.gz SEUUPQMXGBXYMS-YVWKXTFCSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCCC2(C)C)C1 ZINC000549859987 435779917 /nfs/dbraw/zinc/77/99/17/435779917.db2.gz SEUUPQMXGBXYMS-YVWKXTFCSA-N 2 2 316.489 3.353 20 0 DGADLP Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000641681612 435785738 /nfs/dbraw/zinc/78/57/38/435785738.db2.gz QYFJUTPWIATYMI-ROUUACIJSA-N 2 2 320.440 3.126 20 0 DGADLP Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000641681612 435785743 /nfs/dbraw/zinc/78/57/43/435785743.db2.gz QYFJUTPWIATYMI-ROUUACIJSA-N 2 2 320.440 3.126 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000651673333 435787104 /nfs/dbraw/zinc/78/71/04/435787104.db2.gz FDXRPEXKAGDKJR-SFHVURJKSA-N 2 2 315.461 3.472 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000641802751 435829913 /nfs/dbraw/zinc/82/99/13/435829913.db2.gz OJOYITMHFVLFHZ-ZIAGYGMSSA-N 2 2 305.809 3.210 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2ccccn2)n1-c1ccccc1 ZINC000655844446 435835385 /nfs/dbraw/zinc/83/53/85/435835385.db2.gz STYRIGGKLTYMMU-HNNXBMFYSA-N 2 2 306.413 3.297 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848609 435839288 /nfs/dbraw/zinc/83/92/88/435839288.db2.gz IQOJRYABRASGEW-SJJHQCBESA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848609 435839293 /nfs/dbraw/zinc/83/92/93/435839293.db2.gz IQOJRYABRASGEW-SJJHQCBESA-N 2 2 318.465 3.011 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654355 435841875 /nfs/dbraw/zinc/84/18/75/435841875.db2.gz ZTAPSXVOLYQZTD-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654355 435841879 /nfs/dbraw/zinc/84/18/79/435841879.db2.gz ZTAPSXVOLYQZTD-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654355 435841883 /nfs/dbraw/zinc/84/18/83/435841883.db2.gz ZTAPSXVOLYQZTD-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654355 435841892 /nfs/dbraw/zinc/84/18/92/435841892.db2.gz ZTAPSXVOLYQZTD-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1SC ZINC000660659069 435843494 /nfs/dbraw/zinc/84/34/94/435843494.db2.gz MIPXYKAUTVVERE-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1SC ZINC000660659069 435843499 /nfs/dbraw/zinc/84/34/99/435843499.db2.gz MIPXYKAUTVVERE-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1SC ZINC000660659069 435843504 /nfs/dbraw/zinc/84/35/04/435843504.db2.gz MIPXYKAUTVVERE-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1SC ZINC000660659069 435843506 /nfs/dbraw/zinc/84/35/06/435843506.db2.gz MIPXYKAUTVVERE-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652068 435844200 /nfs/dbraw/zinc/84/42/00/435844200.db2.gz FYRNSVAXVKFZGP-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652068 435844207 /nfs/dbraw/zinc/84/42/07/435844207.db2.gz FYRNSVAXVKFZGP-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652068 435844209 /nfs/dbraw/zinc/84/42/09/435844209.db2.gz FYRNSVAXVKFZGP-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652068 435844215 /nfs/dbraw/zinc/84/42/15/435844215.db2.gz FYRNSVAXVKFZGP-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655854949 435846953 /nfs/dbraw/zinc/84/69/53/435846953.db2.gz BELPXQXVLIDGER-RPPGEJNMSA-N 2 2 300.446 3.315 20 0 DGADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655854949 435846958 /nfs/dbraw/zinc/84/69/58/435846958.db2.gz BELPXQXVLIDGER-RPPGEJNMSA-N 2 2 300.446 3.315 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660863 435847335 /nfs/dbraw/zinc/84/73/35/435847335.db2.gz AZKKSBQZOQIHER-HXUWFJFHSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660863 435847337 /nfs/dbraw/zinc/84/73/37/435847337.db2.gz AZKKSBQZOQIHER-HXUWFJFHSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660863 435847342 /nfs/dbraw/zinc/84/73/42/435847342.db2.gz AZKKSBQZOQIHER-HXUWFJFHSA-N 3 2 324.472 3.098 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661670 435847860 /nfs/dbraw/zinc/84/78/60/435847860.db2.gz DWYPYFCMUHUDKH-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661670 435847870 /nfs/dbraw/zinc/84/78/70/435847870.db2.gz DWYPYFCMUHUDKH-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661670 435847879 /nfs/dbraw/zinc/84/78/79/435847879.db2.gz DWYPYFCMUHUDKH-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661670 435847886 /nfs/dbraw/zinc/84/78/86/435847886.db2.gz DWYPYFCMUHUDKH-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660160 435848464 /nfs/dbraw/zinc/84/84/64/435848464.db2.gz UXCGPZISOVJRQR-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660160 435848466 /nfs/dbraw/zinc/84/84/66/435848466.db2.gz UXCGPZISOVJRQR-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660160 435848468 /nfs/dbraw/zinc/84/84/68/435848468.db2.gz UXCGPZISOVJRQR-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660160 435848469 /nfs/dbraw/zinc/84/84/69/435848469.db2.gz UXCGPZISOVJRQR-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Br)o1 ZINC000651865716 435849975 /nfs/dbraw/zinc/84/99/75/435849975.db2.gz FQLWDDOAGQAKPL-UHFFFAOYSA-N 2 2 303.244 3.110 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Br)o1 ZINC000651865716 435849978 /nfs/dbraw/zinc/84/99/78/435849978.db2.gz FQLWDDOAGQAKPL-UHFFFAOYSA-N 2 2 303.244 3.110 20 0 DGADLP Cn1c[nH+]cc1CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000651960495 435878402 /nfs/dbraw/zinc/87/84/02/435878402.db2.gz NAXZAHAIHOCRSB-UHFFFAOYSA-N 2 2 316.474 3.220 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cn2ccccc2n1)C1CCCCC1 ZINC000651909851 435861615 /nfs/dbraw/zinc/86/16/15/435861615.db2.gz ZRJCLXVQSJIQJY-UHFFFAOYSA-N 2 2 314.477 3.469 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cn2ccccc2n1)C1CCCCC1 ZINC000651909851 435861617 /nfs/dbraw/zinc/86/16/17/435861617.db2.gz ZRJCLXVQSJIQJY-UHFFFAOYSA-N 2 2 314.477 3.469 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910337 435863288 /nfs/dbraw/zinc/86/32/88/435863288.db2.gz PUYNKTWUTCAAOT-IEBWSBKVSA-N 3 2 307.526 3.248 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910337 435863293 /nfs/dbraw/zinc/86/32/93/435863293.db2.gz PUYNKTWUTCAAOT-IEBWSBKVSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910337 435863302 /nfs/dbraw/zinc/86/33/02/435863302.db2.gz PUYNKTWUTCAAOT-IEBWSBKVSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000651910337 435863308 /nfs/dbraw/zinc/86/33/08/435863308.db2.gz PUYNKTWUTCAAOT-IEBWSBKVSA-N 3 2 307.526 3.248 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cnc(C2CC2)nc1)C1CCCCC1 ZINC000651910511 435866282 /nfs/dbraw/zinc/86/62/82/435866282.db2.gz WMKCGJFXZAAEMP-UHFFFAOYSA-N 2 2 316.493 3.488 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cnc(C2CC2)nc1)C1CCCCC1 ZINC000651910511 435866287 /nfs/dbraw/zinc/86/62/87/435866287.db2.gz WMKCGJFXZAAEMP-UHFFFAOYSA-N 2 2 316.493 3.488 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cc2)c[nH+]1 ZINC000651927533 435867644 /nfs/dbraw/zinc/86/76/44/435867644.db2.gz WTFZUUJVIKCASP-IBGZPJMESA-N 2 2 311.429 3.167 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656195759 435908437 /nfs/dbraw/zinc/90/84/37/435908437.db2.gz GIFGEOLZYCGELJ-SZVBFZGTSA-N 3 2 301.478 3.072 20 0 DGADLP Cc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nn1C ZINC000660856177 435908723 /nfs/dbraw/zinc/90/87/23/435908723.db2.gz ZRBIHTLXBTZQJX-UHFFFAOYSA-N 2 2 323.444 3.060 20 0 DGADLP CC[C@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)OC ZINC000660857253 435909074 /nfs/dbraw/zinc/90/90/74/435909074.db2.gz JDRHGUUKVSKXDI-OAHLLOKOSA-N 2 2 301.434 3.242 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000656193298 435909252 /nfs/dbraw/zinc/90/92/52/435909252.db2.gz FGKAZTADTGBIHO-GDLCADMTSA-N 2 2 320.824 3.311 20 0 DGADLP OC1(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCCC1 ZINC000660855186 435910083 /nfs/dbraw/zinc/91/00/83/435910083.db2.gz LESJVKDIJBKTTN-UHFFFAOYSA-N 2 2 313.445 3.123 20 0 DGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000665278201 435936303 /nfs/dbraw/zinc/93/63/03/435936303.db2.gz YAOOZQICMOWABY-YAJUMTOWSA-N 2 2 306.837 3.204 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccncc1 ZINC000665254543 435930565 /nfs/dbraw/zinc/93/05/65/435930565.db2.gz SUPNSIKYTOLCSW-GUDVDZBRSA-N 2 2 313.420 3.407 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000665254564 435930873 /nfs/dbraw/zinc/93/08/73/435930873.db2.gz TYLUYFVWNBAZGQ-MANSERQUSA-N 2 2 320.452 3.064 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccoc2)cc1F ZINC000665259713 435932914 /nfs/dbraw/zinc/93/29/14/435932914.db2.gz NKMWUACMXFQNEU-PVUWLOKVSA-N 2 2 318.392 3.224 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652355818 435959141 /nfs/dbraw/zinc/95/91/41/435959141.db2.gz IXZUFGFJRGLGNA-IINYFYTJSA-N 2 2 302.249 3.338 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652355818 435959143 /nfs/dbraw/zinc/95/91/43/435959143.db2.gz IXZUFGFJRGLGNA-IINYFYTJSA-N 2 2 302.249 3.338 20 0 DGADLP c1ccc(Nc2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc[nH+]2)cc1 ZINC000656606161 435980625 /nfs/dbraw/zinc/98/06/25/435980625.db2.gz OZMJUMAOEYFDJM-QGZVFWFLSA-N 2 2 323.444 3.189 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000665283389 435941220 /nfs/dbraw/zinc/94/12/20/435941220.db2.gz MYYNJHKUVGLDQQ-STQMWFEESA-N 2 2 302.340 3.047 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1c[nH+]ccc1N ZINC000665284074 435941305 /nfs/dbraw/zinc/94/13/05/435941305.db2.gz ZZAVPHYERVMBQX-SECBINFHSA-N 2 2 311.307 3.085 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000665296333 435942993 /nfs/dbraw/zinc/94/29/93/435942993.db2.gz QYXWSAAZPCTLQE-AUUYWEPGSA-N 2 2 316.420 3.316 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000665295440 435943239 /nfs/dbraw/zinc/94/32/39/435943239.db2.gz DOSJFVKOABQKHS-NWDGAFQWSA-N 2 2 319.474 3.386 20 0 DGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)c1C ZINC000652354551 435956869 /nfs/dbraw/zinc/95/68/69/435956869.db2.gz BTIQCRWYMKHMAX-ABAIWWIYSA-N 2 2 323.506 3.061 20 0 DGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)c1C ZINC000652354551 435956875 /nfs/dbraw/zinc/95/68/75/435956875.db2.gz BTIQCRWYMKHMAX-ABAIWWIYSA-N 2 2 323.506 3.061 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000647281399 435998737 /nfs/dbraw/zinc/99/87/37/435998737.db2.gz MHCXFMWCAAOINU-SCTDSRPQSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000647281399 435998745 /nfs/dbraw/zinc/99/87/45/435998745.db2.gz MHCXFMWCAAOINU-SCTDSRPQSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cc2n(n1)CCCC2 ZINC000647299738 436008275 /nfs/dbraw/zinc/00/82/75/436008275.db2.gz CAOWUUIECKYXDR-JKSUJKDBSA-N 2 2 304.482 3.135 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000650741974 436013681 /nfs/dbraw/zinc/01/36/81/436013681.db2.gz OYVNUUGPMXMJLE-HNNXBMFYSA-N 3 2 304.482 3.189 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCCC1 ZINC000650741974 436013685 /nfs/dbraw/zinc/01/36/85/436013685.db2.gz OYVNUUGPMXMJLE-HNNXBMFYSA-N 3 2 304.482 3.189 20 0 DGADLP COc1ccccc1C1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000647329449 436018193 /nfs/dbraw/zinc/01/81/93/436018193.db2.gz PQSOMJDJCODKKU-UHFFFAOYSA-N 2 2 323.440 3.338 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349785 436027520 /nfs/dbraw/zinc/02/75/20/436027520.db2.gz HQCKDJODCAXKLX-JIZBTBOESA-N 2 2 319.468 3.410 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349785 436027522 /nfs/dbraw/zinc/02/75/22/436027522.db2.gz HQCKDJODCAXKLX-JIZBTBOESA-N 2 2 319.468 3.410 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)s1 ZINC000647364254 436032037 /nfs/dbraw/zinc/03/20/37/436032037.db2.gz WJRABMBIDJPSNU-LBPRGKRZSA-N 2 2 300.431 3.301 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cc4n(n3)CCCC4)cn21 ZINC000647363964 436032704 /nfs/dbraw/zinc/03/27/04/436032704.db2.gz OZUHMWLPPIWCKI-OAHLLOKOSA-N 2 2 323.444 3.069 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1C ZINC000656789030 436047111 /nfs/dbraw/zinc/04/71/11/436047111.db2.gz NNGGHNZDRXNPIC-RTBURBONSA-N 2 2 310.441 3.239 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000656790235 436047754 /nfs/dbraw/zinc/04/77/54/436047754.db2.gz LFSQFJGGUWAQKH-RTBURBONSA-N 2 2 314.404 3.070 20 0 DGADLP C[C@]1(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]C1 ZINC000656788072 436047902 /nfs/dbraw/zinc/04/79/02/436047902.db2.gz AAHBJIJPXYLFSY-SFHVURJKSA-N 2 2 313.470 3.168 20 0 DGADLP C[C@]1(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC[NH2+]C1 ZINC000656788072 436047903 /nfs/dbraw/zinc/04/79/03/436047903.db2.gz AAHBJIJPXYLFSY-SFHVURJKSA-N 2 2 313.470 3.168 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1F ZINC000656789379 436048151 /nfs/dbraw/zinc/04/81/51/436048151.db2.gz XGVQHFMAXDTKSA-CRAIPNDOSA-N 2 2 302.368 3.200 20 0 DGADLP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480445 436058858 /nfs/dbraw/zinc/05/88/58/436058858.db2.gz OAKZLUCFVGOJGD-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480445 436058862 /nfs/dbraw/zinc/05/88/62/436058862.db2.gz OAKZLUCFVGOJGD-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480750 436059914 /nfs/dbraw/zinc/05/99/14/436059914.db2.gz YMOQJMBLDMADCM-ZFWWWQNUSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480750 436059920 /nfs/dbraw/zinc/05/99/20/436059920.db2.gz YMOQJMBLDMADCM-ZFWWWQNUSA-N 2 2 307.507 3.405 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480190 436060930 /nfs/dbraw/zinc/06/09/30/436060930.db2.gz GLPNDIZMTWKGQY-HZPDHXFCSA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480190 436060935 /nfs/dbraw/zinc/06/09/35/436060935.db2.gz GLPNDIZMTWKGQY-HZPDHXFCSA-N 2 2 312.461 3.020 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479336 436061449 /nfs/dbraw/zinc/06/14/49/436061449.db2.gz CPHICBDNWJDVCR-KBPBESRZSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479336 436061455 /nfs/dbraw/zinc/06/14/55/436061455.db2.gz CPHICBDNWJDVCR-KBPBESRZSA-N 2 2 307.507 3.405 20 0 DGADLP C[N@H+](Cc1c(Cl)cccc1OC(F)F)CC(C)(C)C[NH3+] ZINC000647505577 436069541 /nfs/dbraw/zinc/06/95/41/436069541.db2.gz JNGQLVDONNAZTJ-UHFFFAOYSA-N 2 2 306.784 3.358 20 0 DGADLP C[N@@H+](Cc1c(Cl)cccc1OC(F)F)CC(C)(C)C[NH3+] ZINC000647505577 436069545 /nfs/dbraw/zinc/06/95/45/436069545.db2.gz JNGQLVDONNAZTJ-UHFFFAOYSA-N 2 2 306.784 3.358 20 0 DGADLP CCCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](CC)c1ccccc1 ZINC000653089423 436108720 /nfs/dbraw/zinc/10/87/20/436108720.db2.gz HHCBDKNEJPVINV-MSOLQXFVSA-N 2 2 319.493 3.045 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000647548811 436080556 /nfs/dbraw/zinc/08/05/56/436080556.db2.gz VMRZSWSSJHEOFJ-FXAWDEMLSA-N 3 2 315.505 3.150 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000647548617 436080711 /nfs/dbraw/zinc/08/07/11/436080711.db2.gz KWEWOTBFULZZDE-ZWOKBUDYSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000647548617 436080715 /nfs/dbraw/zinc/08/07/15/436080715.db2.gz KWEWOTBFULZZDE-ZWOKBUDYSA-N 3 2 315.505 3.149 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554147 436082215 /nfs/dbraw/zinc/08/22/15/436082215.db2.gz SBALWAIVQSXPEV-CQSZACIVSA-N 2 2 314.351 3.350 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)cn21 ZINC000647553909 436083910 /nfs/dbraw/zinc/08/39/10/436083910.db2.gz MUSPTUQCSPXCHG-RDJZCZTQSA-N 3 2 314.477 3.086 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[NH+]2Cc3ccccc3C2)c(C)[nH+]1 ZINC000653178360 436126372 /nfs/dbraw/zinc/12/63/72/436126372.db2.gz DSFFOZRNELAICZ-UHFFFAOYSA-N 2 2 324.428 3.144 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000657311281 436128926 /nfs/dbraw/zinc/12/89/26/436128926.db2.gz IVTJRZVNYYMKPA-HNNXBMFYSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000657311281 436128934 /nfs/dbraw/zinc/12/89/34/436128934.db2.gz IVTJRZVNYYMKPA-HNNXBMFYSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000657336008 436142861 /nfs/dbraw/zinc/14/28/61/436142861.db2.gz WKRBFWZYUOSINN-SFHVURJKSA-N 2 2 312.461 3.028 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000657336008 436142867 /nfs/dbraw/zinc/14/28/67/436142867.db2.gz WKRBFWZYUOSINN-SFHVURJKSA-N 2 2 312.461 3.028 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657336008 436142872 /nfs/dbraw/zinc/14/28/72/436142872.db2.gz WKRBFWZYUOSINN-SFHVURJKSA-N 2 2 312.461 3.028 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657336008 436142876 /nfs/dbraw/zinc/14/28/76/436142876.db2.gz WKRBFWZYUOSINN-SFHVURJKSA-N 2 2 312.461 3.028 20 0 DGADLP Cc1ccc([C@H](C[NH2+]Cc2cnn3c2CCC3)[NH+]2CCCC2)cc1 ZINC000657337864 436145062 /nfs/dbraw/zinc/14/50/62/436145062.db2.gz DJKCKXMQTLZTKW-FQEVSTJZSA-N 2 2 324.472 3.064 20 0 DGADLP CC(C)n1ccnc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657336681 436145354 /nfs/dbraw/zinc/14/53/54/436145354.db2.gz XRIRDABAJDLFRJ-UHFFFAOYSA-N 2 2 304.482 3.208 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)CC[C@H]1[NH3+] ZINC000647938405 436154543 /nfs/dbraw/zinc/15/45/43/436154543.db2.gz MHDIUZZHXHDPLF-IIAWOOMASA-N 2 2 314.433 3.165 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)CC[C@H]1[NH3+] ZINC000647938405 436154550 /nfs/dbraw/zinc/15/45/50/436154550.db2.gz MHDIUZZHXHDPLF-IIAWOOMASA-N 2 2 314.433 3.165 20 0 DGADLP FCC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000661687520 436146136 /nfs/dbraw/zinc/14/61/36/436146136.db2.gz CDTCYNWNOXTHQW-KRWDZBQOSA-N 2 2 320.452 3.090 20 0 DGADLP FCC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000661687520 436146140 /nfs/dbraw/zinc/14/61/40/436146140.db2.gz CDTCYNWNOXTHQW-KRWDZBQOSA-N 2 2 320.452 3.090 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1 ZINC000657349647 436151674 /nfs/dbraw/zinc/15/16/74/436151674.db2.gz TZHQANVIDWNQGW-UHFFFAOYSA-N 2 2 312.461 3.240 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000666138793 436152430 /nfs/dbraw/zinc/15/24/30/436152430.db2.gz DSKYHAZVWGNVOF-CHWSQXEVSA-N 2 2 301.821 3.068 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000666138793 436152433 /nfs/dbraw/zinc/15/24/33/436152433.db2.gz DSKYHAZVWGNVOF-CHWSQXEVSA-N 2 2 301.821 3.068 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657294280 436120850 /nfs/dbraw/zinc/12/08/50/436120850.db2.gz LEVCGOIAAYSDAO-UHFFFAOYSA-N 2 2 316.367 3.391 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCS2 ZINC000657296626 436120891 /nfs/dbraw/zinc/12/08/91/436120891.db2.gz IXOBNDYOKOVJQX-CQSZACIVSA-N 2 2 303.406 3.295 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657303670 436124584 /nfs/dbraw/zinc/12/45/84/436124584.db2.gz FOBMWALQCOPKOP-UHFFFAOYSA-N 2 2 300.368 3.314 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964279 436160226 /nfs/dbraw/zinc/16/02/26/436160226.db2.gz BCPISZQSGNHJQV-SJLPKXTDSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964279 436160232 /nfs/dbraw/zinc/16/02/32/436160232.db2.gz BCPISZQSGNHJQV-SJLPKXTDSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964279 436160237 /nfs/dbraw/zinc/16/02/37/436160237.db2.gz BCPISZQSGNHJQV-SJLPKXTDSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964279 436160242 /nfs/dbraw/zinc/16/02/42/436160242.db2.gz BCPISZQSGNHJQV-SJLPKXTDSA-N 2 2 322.493 3.460 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)co1 ZINC000651298233 436162254 /nfs/dbraw/zinc/16/22/54/436162254.db2.gz RZPRSROBUVQYHU-GBESFXJTSA-N 2 2 311.429 3.207 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)co1 ZINC000651298233 436162259 /nfs/dbraw/zinc/16/22/59/436162259.db2.gz RZPRSROBUVQYHU-GBESFXJTSA-N 2 2 311.429 3.207 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657379240 436168475 /nfs/dbraw/zinc/16/84/75/436168475.db2.gz ZGPJZBZPSYSBMH-XJKSGUPXSA-N 2 2 306.425 3.187 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657379240 436168480 /nfs/dbraw/zinc/16/84/80/436168480.db2.gz ZGPJZBZPSYSBMH-XJKSGUPXSA-N 2 2 306.425 3.187 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000455488196 301187489 /nfs/dbraw/zinc/18/74/89/301187489.db2.gz UHKNDAQCKQVNMD-LSDHHAIUSA-N 2 2 318.465 3.391 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000455488196 301187494 /nfs/dbraw/zinc/18/74/94/301187494.db2.gz UHKNDAQCKQVNMD-LSDHHAIUSA-N 2 2 318.465 3.391 20 0 DGADLP COCC[C@@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194281 436170231 /nfs/dbraw/zinc/17/02/31/436170231.db2.gz SKJWEASFZRRITH-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194281 436170234 /nfs/dbraw/zinc/17/02/34/436170234.db2.gz SKJWEASFZRRITH-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661734924 436170772 /nfs/dbraw/zinc/17/07/72/436170772.db2.gz AAFACCCTKXGURD-KRWDZBQOSA-N 2 2 317.408 3.183 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661734924 436170774 /nfs/dbraw/zinc/17/07/74/436170774.db2.gz AAFACCCTKXGURD-KRWDZBQOSA-N 2 2 317.408 3.183 20 0 DGADLP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387138 436172148 /nfs/dbraw/zinc/17/21/48/436172148.db2.gz RNWUAUACXJMBRG-WCQYABFASA-N 2 2 301.356 3.288 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000661740161 436174084 /nfs/dbraw/zinc/17/40/84/436174084.db2.gz KFCDEOJROYOOOL-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000661740161 436174087 /nfs/dbraw/zinc/17/40/87/436174087.db2.gz KFCDEOJROYOOOL-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cn1 ZINC000648005504 436174881 /nfs/dbraw/zinc/17/48/81/436174881.db2.gz LBBOOEMAFMMZNW-UHFFFAOYSA-N 2 2 312.461 3.143 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(N2CCCC2)c1 ZINC000657391261 436175968 /nfs/dbraw/zinc/17/59/68/436175968.db2.gz BDFAXTWHLISBDE-HNNXBMFYSA-N 2 2 310.445 3.280 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657417788 436187777 /nfs/dbraw/zinc/18/77/77/436187777.db2.gz XOPAFKBDKZCKIN-UHFFFAOYSA-N 2 2 300.377 3.403 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000648035895 436187874 /nfs/dbraw/zinc/18/78/74/436187874.db2.gz UJFIFNAJHFCVPJ-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000648035895 436187877 /nfs/dbraw/zinc/18/78/77/436187877.db2.gz UJFIFNAJHFCVPJ-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000648035895 436187883 /nfs/dbraw/zinc/18/78/83/436187883.db2.gz UJFIFNAJHFCVPJ-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000648035895 436187890 /nfs/dbraw/zinc/18/78/90/436187890.db2.gz UJFIFNAJHFCVPJ-UYAOXDASSA-N 2 2 324.472 3.097 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657523768 436235008 /nfs/dbraw/zinc/23/50/08/436235008.db2.gz IPGIYUSFDHNUKJ-NZSAHSFTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657523768 436235010 /nfs/dbraw/zinc/23/50/10/436235010.db2.gz IPGIYUSFDHNUKJ-NZSAHSFTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523768 436235013 /nfs/dbraw/zinc/23/50/13/436235013.db2.gz IPGIYUSFDHNUKJ-NZSAHSFTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523768 436235016 /nfs/dbraw/zinc/23/50/16/436235016.db2.gz IPGIYUSFDHNUKJ-NZSAHSFTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000657536760 436238843 /nfs/dbraw/zinc/23/88/43/436238843.db2.gz ZJSFMUSTPNTHTJ-HLIPFELVSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000657536760 436238848 /nfs/dbraw/zinc/23/88/48/436238848.db2.gz ZJSFMUSTPNTHTJ-HLIPFELVSA-N 2 2 309.457 3.295 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661797584 436193706 /nfs/dbraw/zinc/19/37/06/436193706.db2.gz IITQNYFAOONVDN-DYVFJYSZSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661797584 436193711 /nfs/dbraw/zinc/19/37/11/436193711.db2.gz IITQNYFAOONVDN-DYVFJYSZSA-N 2 2 319.836 3.307 20 0 DGADLP COc1ccccc1C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657436914 436199744 /nfs/dbraw/zinc/19/97/44/436199744.db2.gz VWFFEEOOFBRNNJ-UHFFFAOYSA-N 2 2 311.429 3.049 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n1C ZINC000648074520 436203897 /nfs/dbraw/zinc/20/38/97/436203897.db2.gz CMMPYOALRYIACP-SFHVURJKSA-N 2 2 322.456 3.379 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n1C ZINC000648074520 436203904 /nfs/dbraw/zinc/20/39/04/436203904.db2.gz CMMPYOALRYIACP-SFHVURJKSA-N 2 2 322.456 3.379 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]CC3Cc4ccccc4C3)cn21 ZINC000648078932 436207095 /nfs/dbraw/zinc/20/70/95/436207095.db2.gz YTURFBRUYKRDAX-UHFFFAOYSA-N 2 2 305.425 3.190 20 0 DGADLP CC(C)(C)N1CC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657522151 436231324 /nfs/dbraw/zinc/23/13/24/436231324.db2.gz ADNRUFLHFPIQQU-IBGZPJMESA-N 2 2 315.505 3.113 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522820 436231786 /nfs/dbraw/zinc/23/17/86/436231786.db2.gz DZJQSQRVANJARZ-KRWDZBQOSA-N 2 2 312.461 3.348 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522820 436231791 /nfs/dbraw/zinc/23/17/91/436231791.db2.gz DZJQSQRVANJARZ-KRWDZBQOSA-N 2 2 312.461 3.348 20 0 DGADLP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657522590 436232406 /nfs/dbraw/zinc/23/24/06/436232406.db2.gz CCVBXCLDZCTTCA-KRWDZBQOSA-N 2 2 320.477 3.064 20 0 DGADLP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657522590 436232410 /nfs/dbraw/zinc/23/24/10/436232410.db2.gz CCVBXCLDZCTTCA-KRWDZBQOSA-N 2 2 320.477 3.064 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159327 436289596 /nfs/dbraw/zinc/28/95/96/436289596.db2.gz YCOMBMJDSHIUKB-MSOLQXFVSA-N 2 2 322.880 3.322 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159327 436289599 /nfs/dbraw/zinc/28/95/99/436289599.db2.gz YCOMBMJDSHIUKB-MSOLQXFVSA-N 2 2 322.880 3.322 20 0 DGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657751864 436295094 /nfs/dbraw/zinc/29/50/94/436295094.db2.gz MGGFURINIHCNNG-YTQUADARSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662190334 436296274 /nfs/dbraw/zinc/29/62/74/436296274.db2.gz JLHJIKGRVXOXNE-UHFFFAOYSA-N 2 2 320.234 3.278 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662190334 436296276 /nfs/dbraw/zinc/29/62/76/436296276.db2.gz JLHJIKGRVXOXNE-UHFFFAOYSA-N 2 2 320.234 3.278 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689625 436244191 /nfs/dbraw/zinc/24/41/91/436244191.db2.gz FACMNMFAZUFUFP-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689625 436244195 /nfs/dbraw/zinc/24/41/95/436244195.db2.gz FACMNMFAZUFUFP-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657630961 436264827 /nfs/dbraw/zinc/26/48/27/436264827.db2.gz SLDCNNSPQKLJPD-BPQIPLTHSA-N 2 2 300.446 3.123 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657630961 436264830 /nfs/dbraw/zinc/26/48/30/436264830.db2.gz SLDCNNSPQKLJPD-BPQIPLTHSA-N 2 2 300.446 3.123 20 0 DGADLP Brc1ccc([C@@H]2CC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000662095624 436274766 /nfs/dbraw/zinc/27/47/66/436274766.db2.gz QUAMEDAQUQONFD-AWEZNQCLSA-N 2 2 306.207 3.093 20 0 DGADLP Brc1ccc([C@@H]2CC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000662095624 436274771 /nfs/dbraw/zinc/27/47/71/436274771.db2.gz QUAMEDAQUQONFD-AWEZNQCLSA-N 2 2 306.207 3.093 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666780922 436278586 /nfs/dbraw/zinc/27/85/86/436278586.db2.gz IFOJMYXCNKEPOM-UHFFFAOYSA-N 2 2 302.393 3.104 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976767 436348685 /nfs/dbraw/zinc/34/86/85/436348685.db2.gz FDDWTXKAYQQLSO-PBHICJAKSA-N 2 2 308.416 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976767 436348689 /nfs/dbraw/zinc/34/86/89/436348689.db2.gz FDDWTXKAYQQLSO-PBHICJAKSA-N 2 2 308.416 3.184 20 0 DGADLP CCOC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657976336 436349457 /nfs/dbraw/zinc/34/94/57/436349457.db2.gz ATAHHZXKSQGPKG-CMTQZCSUSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657976336 436349460 /nfs/dbraw/zinc/34/94/60/436349460.db2.gz ATAHHZXKSQGPKG-CMTQZCSUSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657979723 436350882 /nfs/dbraw/zinc/35/08/82/436350882.db2.gz JNIWOIHFKSKENT-JKSUJKDBSA-N 2 2 303.837 3.462 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cs2)cc1 ZINC000666872501 436298028 /nfs/dbraw/zinc/29/80/28/436298028.db2.gz ABECXBUJRLHSSZ-GXTWGEPZSA-N 2 2 317.458 3.049 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)CC[NH2+]1 ZINC000666873221 436299159 /nfs/dbraw/zinc/29/91/59/436299159.db2.gz ILKACOVMVKHNIS-NXEZZACHSA-N 2 2 304.768 3.172 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772474 436301381 /nfs/dbraw/zinc/30/13/81/436301381.db2.gz NMAHVAOSOSQRPJ-SFHVURJKSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772474 436301384 /nfs/dbraw/zinc/30/13/84/436301384.db2.gz NMAHVAOSOSQRPJ-SFHVURJKSA-N 2 2 324.472 3.110 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C1 ZINC000657786941 436304475 /nfs/dbraw/zinc/30/44/75/436304475.db2.gz YTHJQBNFGHMNDU-NJAFHUGGSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C1 ZINC000657786941 436304479 /nfs/dbraw/zinc/30/44/79/436304479.db2.gz YTHJQBNFGHMNDU-NJAFHUGGSA-N 2 2 302.462 3.227 20 0 DGADLP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])on2)cc1 ZINC000662233525 436306656 /nfs/dbraw/zinc/30/66/56/436306656.db2.gz GIKNTUMPOGBDSP-SCLBCKFNSA-N 2 2 315.417 3.052 20 0 DGADLP COc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])on2)cc1 ZINC000662233525 436306661 /nfs/dbraw/zinc/30/66/61/436306661.db2.gz GIKNTUMPOGBDSP-SCLBCKFNSA-N 2 2 315.417 3.052 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662232583 436307596 /nfs/dbraw/zinc/30/75/96/436307596.db2.gz BDJINSUFTRBQNF-TZMCWYRMSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662232583 436307599 /nfs/dbraw/zinc/30/75/99/436307599.db2.gz BDJINSUFTRBQNF-TZMCWYRMSA-N 2 2 319.371 3.013 20 0 DGADLP CCOc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)[nH+]c1C ZINC000657797372 436309520 /nfs/dbraw/zinc/30/95/20/436309520.db2.gz ZLLUCIXURZWULU-UHFFFAOYSA-N 2 2 312.417 3.396 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000662242075 436310323 /nfs/dbraw/zinc/31/03/23/436310323.db2.gz BGXQYPUJZGSXNS-JTQLQIEISA-N 2 2 317.658 3.192 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000662242075 436310330 /nfs/dbraw/zinc/31/03/30/436310330.db2.gz BGXQYPUJZGSXNS-JTQLQIEISA-N 2 2 317.658 3.192 20 0 DGADLP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666946753 436312881 /nfs/dbraw/zinc/31/28/81/436312881.db2.gz PFBXEUGYNXUYQK-CAMMJAKZSA-N 2 2 320.452 3.400 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946564 436313122 /nfs/dbraw/zinc/31/31/22/436313122.db2.gz JMCOAYZCOLUSDB-ROUUACIJSA-N 2 2 314.404 3.152 20 0 DGADLP CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254315 436314267 /nfs/dbraw/zinc/31/42/67/436314267.db2.gz HBSZSJMFIJEXNU-WFASDCNBSA-N 2 2 316.367 3.077 20 0 DGADLP CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254315 436314272 /nfs/dbraw/zinc/31/42/72/436314272.db2.gz HBSZSJMFIJEXNU-WFASDCNBSA-N 2 2 316.367 3.077 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265053 436315784 /nfs/dbraw/zinc/31/57/84/436315784.db2.gz MSHFCTDANMQNJV-ZFWWWQNUSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265053 436315787 /nfs/dbraw/zinc/31/57/87/436315787.db2.gz MSHFCTDANMQNJV-ZFWWWQNUSA-N 2 2 308.853 3.313 20 0 DGADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000657822375 436317317 /nfs/dbraw/zinc/31/73/17/436317317.db2.gz ZHXWETRDDDHIQI-HNNXBMFYSA-N 2 2 322.250 3.257 20 0 DGADLP C([NH2+][C@H]1CCCSCC1)C1([NH+]2CCSCC2)CCCC1 ZINC000657835615 436321792 /nfs/dbraw/zinc/32/17/92/436321792.db2.gz VBNPAYCKSAQKAJ-HNNXBMFYSA-N 2 2 314.564 3.223 20 0 DGADLP Clc1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CCCC2)c1 ZINC000662283232 436323057 /nfs/dbraw/zinc/32/30/57/436323057.db2.gz SRPUAKRLGIQVJB-DLBZAZTESA-N 2 2 308.853 3.149 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842520 436323981 /nfs/dbraw/zinc/32/39/81/436323981.db2.gz BWMDTOINPKMYPD-KBPBESRZSA-N 2 2 302.453 3.420 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657867621 436329929 /nfs/dbraw/zinc/32/99/29/436329929.db2.gz IFESLLPTAHLECD-DZGCQCFKSA-N 2 2 319.474 3.058 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657867621 436329933 /nfs/dbraw/zinc/32/99/33/436329933.db2.gz IFESLLPTAHLECD-DZGCQCFKSA-N 2 2 319.474 3.058 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320472 436329977 /nfs/dbraw/zinc/32/99/77/436329977.db2.gz BTDXHQIPWLPQIF-RHSMWYFYSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320472 436329981 /nfs/dbraw/zinc/32/99/81/436329981.db2.gz BTDXHQIPWLPQIF-RHSMWYFYSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319194 436330288 /nfs/dbraw/zinc/33/02/88/436330288.db2.gz KGSZHPOFPIFPAC-GJZGRUSLSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319194 436330293 /nfs/dbraw/zinc/33/02/93/436330293.db2.gz KGSZHPOFPIFPAC-GJZGRUSLSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872102 436331620 /nfs/dbraw/zinc/33/16/20/436331620.db2.gz NBDIKSYYRFJQME-HOCLYGCPSA-N 2 2 308.416 3.499 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872102 436331625 /nfs/dbraw/zinc/33/16/25/436331625.db2.gz NBDIKSYYRFJQME-HOCLYGCPSA-N 2 2 308.416 3.499 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657883536 436332796 /nfs/dbraw/zinc/33/27/96/436332796.db2.gz YTHRYMZMQLENAY-LBPRGKRZSA-N 2 2 306.441 3.145 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657882605 436333823 /nfs/dbraw/zinc/33/38/23/436333823.db2.gz TUNQZYRNCFQEKJ-WBVHZDCISA-N 2 2 302.462 3.417 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658054638 436360246 /nfs/dbraw/zinc/36/02/46/436360246.db2.gz FTSIJCKROFCONQ-WBVHZDCISA-N 2 2 320.477 3.235 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658054638 436360249 /nfs/dbraw/zinc/36/02/49/436360249.db2.gz FTSIJCKROFCONQ-WBVHZDCISA-N 2 2 320.477 3.235 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(OC)c1 ZINC000658057984 436360706 /nfs/dbraw/zinc/36/07/06/436360706.db2.gz QOYXSBRCQCOMRQ-UONOGXRCSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(OC)c1 ZINC000658057984 436360710 /nfs/dbraw/zinc/36/07/10/436360710.db2.gz QOYXSBRCQCOMRQ-UONOGXRCSA-N 2 2 306.450 3.227 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057523 436362423 /nfs/dbraw/zinc/36/24/23/436362423.db2.gz PALGVRXLNBVJFJ-GJZGRUSLSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057523 436362426 /nfs/dbraw/zinc/36/24/26/436362426.db2.gz PALGVRXLNBVJFJ-GJZGRUSLSA-N 2 2 314.477 3.346 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062551 436362961 /nfs/dbraw/zinc/36/29/61/436362961.db2.gz SKVYOLVUKQNZFM-WFASDCNBSA-N 2 2 306.425 3.284 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062551 436362964 /nfs/dbraw/zinc/36/29/64/436362964.db2.gz SKVYOLVUKQNZFM-WFASDCNBSA-N 2 2 306.425 3.284 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060831 436363618 /nfs/dbraw/zinc/36/36/18/436363618.db2.gz NCLZOJZBNIGKOZ-DGCLKSJQSA-N 2 2 303.406 3.057 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060831 436363620 /nfs/dbraw/zinc/36/36/20/436363620.db2.gz NCLZOJZBNIGKOZ-DGCLKSJQSA-N 2 2 303.406 3.057 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093322 436373862 /nfs/dbraw/zinc/37/38/62/436373862.db2.gz UHLYWANXTUPPNM-HUUCEWRRSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093322 436373864 /nfs/dbraw/zinc/37/38/64/436373864.db2.gz UHLYWANXTUPPNM-HUUCEWRRSA-N 2 2 314.477 3.346 20 0 DGADLP Cn1c2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)cc2[nH+]c1C1CC1 ZINC000662796296 436388060 /nfs/dbraw/zinc/38/80/60/436388060.db2.gz KNGRKGFZYBZCLP-UHFFFAOYSA-N 2 2 324.428 3.064 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055464 436359718 /nfs/dbraw/zinc/35/97/18/436359718.db2.gz JBVFWOMSRYCMNS-ZBFHGGJFSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055464 436359719 /nfs/dbraw/zinc/35/97/19/436359719.db2.gz JBVFWOMSRYCMNS-ZBFHGGJFSA-N 2 2 318.461 3.371 20 0 DGADLP Fc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663345392 436443724 /nfs/dbraw/zinc/44/37/24/436443724.db2.gz JUZDZXNEUOPPRY-CYBMUJFWSA-N 2 2 312.379 3.316 20 0 DGADLP Fc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663345392 436443725 /nfs/dbraw/zinc/44/37/25/436443725.db2.gz JUZDZXNEUOPPRY-CYBMUJFWSA-N 2 2 312.379 3.316 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280537 436416163 /nfs/dbraw/zinc/41/61/63/436416163.db2.gz JKDYTWPQTQFLEN-FVQBIDKESA-N 2 2 323.431 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280537 436416167 /nfs/dbraw/zinc/41/61/67/436416167.db2.gz JKDYTWPQTQFLEN-FVQBIDKESA-N 2 2 323.431 3.173 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286378 436418533 /nfs/dbraw/zinc/41/85/33/436418533.db2.gz RVDLZWQSWDKDDB-HKUYNNGSSA-N 2 2 302.462 3.090 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286378 436418535 /nfs/dbraw/zinc/41/85/35/436418535.db2.gz RVDLZWQSWDKDDB-HKUYNNGSSA-N 2 2 302.462 3.090 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287333 436418995 /nfs/dbraw/zinc/41/89/95/436418995.db2.gz HIDOBZNVOUIKSC-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287333 436418998 /nfs/dbraw/zinc/41/89/98/436418998.db2.gz HIDOBZNVOUIKSC-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287272 436419141 /nfs/dbraw/zinc/41/91/41/436419141.db2.gz GKLWPEIMYMAPDY-HIFRSBDPSA-N 2 2 315.461 3.051 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287272 436419145 /nfs/dbraw/zinc/41/91/45/436419145.db2.gz GKLWPEIMYMAPDY-HIFRSBDPSA-N 2 2 315.461 3.051 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286381 436419183 /nfs/dbraw/zinc/41/91/83/436419183.db2.gz RVDLZWQSWDKDDB-PKOBYXMFSA-N 2 2 302.462 3.090 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286381 436419188 /nfs/dbraw/zinc/41/91/88/436419188.db2.gz RVDLZWQSWDKDDB-PKOBYXMFSA-N 2 2 302.462 3.090 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663498692 436470696 /nfs/dbraw/zinc/47/06/96/436470696.db2.gz DFDJGQQOBDOXPA-QXAKKESOSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663498692 436470700 /nfs/dbraw/zinc/47/07/00/436470700.db2.gz DFDJGQQOBDOXPA-QXAKKESOSA-N 3 2 303.494 3.003 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000663720501 436496638 /nfs/dbraw/zinc/49/66/38/436496638.db2.gz JQXHEABGCPKNLH-GXTWGEPZSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000663720501 436496642 /nfs/dbraw/zinc/49/66/42/436496642.db2.gz JQXHEABGCPKNLH-GXTWGEPZSA-N 2 2 313.367 3.329 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659982696 436571307 /nfs/dbraw/zinc/57/13/07/436571307.db2.gz UWGGCRJUQFKHSY-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659982696 436571309 /nfs/dbraw/zinc/57/13/09/436571309.db2.gz UWGGCRJUQFKHSY-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659982696 436571311 /nfs/dbraw/zinc/57/13/11/436571311.db2.gz UWGGCRJUQFKHSY-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659982696 436571313 /nfs/dbraw/zinc/57/13/13/436571313.db2.gz UWGGCRJUQFKHSY-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972900 436572037 /nfs/dbraw/zinc/57/20/37/436572037.db2.gz HLIJKCYNNZNJBU-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972900 436572041 /nfs/dbraw/zinc/57/20/41/436572041.db2.gz HLIJKCYNNZNJBU-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972900 436572043 /nfs/dbraw/zinc/57/20/43/436572043.db2.gz HLIJKCYNNZNJBU-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972900 436572045 /nfs/dbraw/zinc/57/20/45/436572045.db2.gz HLIJKCYNNZNJBU-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP COc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000659998599 436576387 /nfs/dbraw/zinc/57/63/87/436576387.db2.gz IWZZZDOSIQVLBB-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCSc1ccc(F)cc1F ZINC000660147985 436594662 /nfs/dbraw/zinc/59/46/62/436594662.db2.gz HBAQVLQQCDDXFL-UHFFFAOYSA-N 2 2 311.401 3.276 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCSc1ccc(F)cc1F ZINC000660147985 436594664 /nfs/dbraw/zinc/59/46/64/436594664.db2.gz HBAQVLQQCDDXFL-UHFFFAOYSA-N 2 2 311.401 3.276 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000660256633 436614748 /nfs/dbraw/zinc/61/47/48/436614748.db2.gz MNVFQPUTKRCQDR-HCXYKTFWSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000660256633 436614752 /nfs/dbraw/zinc/61/47/52/436614752.db2.gz MNVFQPUTKRCQDR-HCXYKTFWSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256633 436614753 /nfs/dbraw/zinc/61/47/53/436614753.db2.gz MNVFQPUTKRCQDR-HCXYKTFWSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256633 436614756 /nfs/dbraw/zinc/61/47/56/436614756.db2.gz MNVFQPUTKRCQDR-HCXYKTFWSA-N 3 2 321.553 3.207 20 0 DGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000471841807 303391757 /nfs/dbraw/zinc/39/17/57/303391757.db2.gz ZUYVBYHHKGDXOS-AEFFLSMTSA-N 2 2 315.486 3.315 20 0 DGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cscn1 ZINC000471841807 303391759 /nfs/dbraw/zinc/39/17/59/303391759.db2.gz ZUYVBYHHKGDXOS-AEFFLSMTSA-N 2 2 315.486 3.315 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000133899161 312678566 /nfs/dbraw/zinc/67/85/66/312678566.db2.gz ABCMNBLVIKBWEB-HNAYVOBHSA-N 2 2 304.478 3.256 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000528729546 313066946 /nfs/dbraw/zinc/06/69/46/313066946.db2.gz TXWIAMSEYKODDH-UHFFFAOYSA-N 2 2 314.429 3.120 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(-c2ccccc2)nn1C ZINC000530216559 313341375 /nfs/dbraw/zinc/34/13/75/313341375.db2.gz QLYHJEHQDMOJGW-KBXCAEBGSA-N 2 2 310.445 3.022 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216982 313341678 /nfs/dbraw/zinc/34/16/78/313341678.db2.gz DVLPRNGKIGZBIR-RDTXWAMCSA-N 3 2 310.445 3.116 20 0 DGADLP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000530366788 313362101 /nfs/dbraw/zinc/36/21/01/313362101.db2.gz GOQKMYUAIGDSRZ-GOSISDBHSA-N 2 2 306.494 3.429 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000542670012 314090646 /nfs/dbraw/zinc/09/06/46/314090646.db2.gz FIKLEJLJAMTIFY-FXAWDEMLSA-N 2 2 324.472 3.420 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000542670012 314090650 /nfs/dbraw/zinc/09/06/50/314090650.db2.gz FIKLEJLJAMTIFY-FXAWDEMLSA-N 2 2 324.472 3.420 20 0 DGADLP CC(C)=CCC[C@H](C)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000543996739 314167745 /nfs/dbraw/zinc/16/77/45/314167745.db2.gz JWXPIQJKYISFAW-INIZCTEOSA-N 2 2 302.466 3.380 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579588 314201167 /nfs/dbraw/zinc/20/11/67/314201167.db2.gz VIAJCBBLJNKYFM-PKOBYXMFSA-N 2 2 320.477 3.376 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579588 314201169 /nfs/dbraw/zinc/20/11/69/314201169.db2.gz VIAJCBBLJNKYFM-PKOBYXMFSA-N 2 2 320.477 3.376 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610784 314202406 /nfs/dbraw/zinc/20/24/06/314202406.db2.gz DTUXXWWBQPNCCD-BWPKMQGJSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610784 314202409 /nfs/dbraw/zinc/20/24/09/314202409.db2.gz DTUXXWWBQPNCCD-BWPKMQGJSA-N 2 2 306.400 3.396 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC(C(C)C)CC2)CC1 ZINC000546622990 314315081 /nfs/dbraw/zinc/31/50/81/314315081.db2.gz YSMALBOBXKBJBT-UHFFFAOYSA-N 2 2 324.509 3.208 20 0 DGADLP Cc1ccccc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000548918455 314485675 /nfs/dbraw/zinc/48/56/75/314485675.db2.gz SEGNEFVXOJYEJM-GOSISDBHSA-N 2 2 323.440 3.112 20 0 DGADLP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000550797013 314542797 /nfs/dbraw/zinc/54/27/97/314542797.db2.gz JGAMCJNWWHPPQF-ZAAXVRCTSA-N 2 2 310.441 3.271 20 0 DGADLP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000550797012 314542867 /nfs/dbraw/zinc/54/28/67/314542867.db2.gz JGAMCJNWWHPPQF-QSFXBCCZSA-N 2 2 310.441 3.271 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000555523923 314726528 /nfs/dbraw/zinc/72/65/28/314726528.db2.gz KCMKYGOFBJHUHB-ROUUACIJSA-N 2 2 324.509 3.210 20 0 DGADLP c1ccc(NC2CC[NH+](CCCC3CCOCC3)CC2)[nH+]c1 ZINC000560032880 314899592 /nfs/dbraw/zinc/89/95/92/314899592.db2.gz QZVNRSHPMUMCPP-UHFFFAOYSA-N 2 2 303.450 3.165 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000562365198 315013936 /nfs/dbraw/zinc/01/39/36/315013936.db2.gz VLVZJICKUOWGCF-INIZCTEOSA-N 2 2 319.497 3.279 20 0 DGADLP CCCc1[nH+]ccn1Cc1cncc(Cn2cc[nH+]c2CCC)c1 ZINC000562708423 315046473 /nfs/dbraw/zinc/04/64/73/315046473.db2.gz LKTJMNSDEHFNQQ-UHFFFAOYSA-N 2 2 323.444 3.476 20 0 DGADLP O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000562977149 315066875 /nfs/dbraw/zinc/06/68/75/315066875.db2.gz ODEAVMBRWBULQV-UHFFFAOYSA-N 2 2 324.428 3.280 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349419 315105006 /nfs/dbraw/zinc/10/50/06/315105006.db2.gz IPQGPSVTDCKLOM-SMDDNHRTSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349419 315105009 /nfs/dbraw/zinc/10/50/09/315105009.db2.gz IPQGPSVTDCKLOM-SMDDNHRTSA-N 2 2 305.422 3.261 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000563417930 315113198 /nfs/dbraw/zinc/11/31/98/315113198.db2.gz MZCCRNYQHNBWGQ-BXWFABGCSA-N 2 2 310.445 3.099 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000563417930 315113200 /nfs/dbraw/zinc/11/32/00/315113200.db2.gz MZCCRNYQHNBWGQ-BXWFABGCSA-N 2 2 310.445 3.099 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563889203 315145328 /nfs/dbraw/zinc/14/53/28/315145328.db2.gz WAYUIWGHQWPXNO-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563889203 315145331 /nfs/dbraw/zinc/14/53/31/315145331.db2.gz WAYUIWGHQWPXNO-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000564318872 315168627 /nfs/dbraw/zinc/16/86/27/315168627.db2.gz KFQSMXKJVWVDDU-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000564318872 315168629 /nfs/dbraw/zinc/16/86/29/315168629.db2.gz KFQSMXKJVWVDDU-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324732 315169474 /nfs/dbraw/zinc/16/94/74/315169474.db2.gz HDULSEUMHLNKQV-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324732 315169477 /nfs/dbraw/zinc/16/94/77/315169477.db2.gz HDULSEUMHLNKQV-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324732 315169479 /nfs/dbraw/zinc/16/94/79/315169479.db2.gz HDULSEUMHLNKQV-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324732 315169482 /nfs/dbraw/zinc/16/94/82/315169482.db2.gz HDULSEUMHLNKQV-RHSMWYFYSA-N 2 2 320.864 3.191 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000565313790 315252362 /nfs/dbraw/zinc/25/23/62/315252362.db2.gz RVLVDFWERFYZCV-AWEZNQCLSA-N 2 2 310.869 3.226 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)Cc1c[nH+]c2c(C)cccn12 ZINC000565533254 315268308 /nfs/dbraw/zinc/26/83/08/315268308.db2.gz YBEUESWGIXOFTI-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cnoc3C)C2)s1 ZINC000565837196 315291555 /nfs/dbraw/zinc/29/15/55/315291555.db2.gz MWSYOQAZJRUREC-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cnoc3C)C2)s1 ZINC000565837196 315291558 /nfs/dbraw/zinc/29/15/58/315291558.db2.gz MWSYOQAZJRUREC-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cnoc3C)C2)s1 ZINC000565837196 315291559 /nfs/dbraw/zinc/29/15/59/315291559.db2.gz MWSYOQAZJRUREC-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cnoc3C)C2)s1 ZINC000565837196 315291561 /nfs/dbraw/zinc/29/15/61/315291561.db2.gz MWSYOQAZJRUREC-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP CN(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000566054732 315307355 /nfs/dbraw/zinc/30/73/55/315307355.db2.gz RSPUECKFCQBDQJ-GOSISDBHSA-N 2 2 321.896 3.159 20 0 DGADLP Cn1c[nH+]cc1CCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000566414742 315342794 /nfs/dbraw/zinc/34/27/94/315342794.db2.gz RHSSMCCWPRNRRP-INIZCTEOSA-N 2 2 312.442 3.188 20 0 DGADLP Cc1[nH]c(CN[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)[nH+]c1C ZINC000566497274 315353215 /nfs/dbraw/zinc/35/32/15/315353215.db2.gz VEFPJRUWIMKGFO-MAUKXSAKSA-N 2 2 300.450 3.116 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCn2ccc3cc(Cl)ccc32)n1C ZINC000566496505 315353391 /nfs/dbraw/zinc/35/33/91/315353391.db2.gz IBVUSZVWXMWIRN-UHFFFAOYSA-N 2 2 302.809 3.126 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCC[C@@H]3C)c2cc1C ZINC000568873099 315542634 /nfs/dbraw/zinc/54/26/34/315542634.db2.gz KNBZLLWIOXPOMR-IAOVAPTHSA-N 2 2 315.461 3.040 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)Nc1cc[nH+]c2ccncc12)[NH+](C)C ZINC000573195145 315846683 /nfs/dbraw/zinc/84/66/83/315846683.db2.gz XLXKTKXWTIAHCU-YWZLYKJASA-N 2 2 320.440 3.463 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH]c1C ZINC000574824215 316004431 /nfs/dbraw/zinc/00/44/31/316004431.db2.gz QSXIQOCRLNIYQQ-HNNXBMFYSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]c1C ZINC000574824215 316004433 /nfs/dbraw/zinc/00/44/33/316004433.db2.gz QSXIQOCRLNIYQQ-HNNXBMFYSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]c1C ZINC000574824215 316004436 /nfs/dbraw/zinc/00/44/36/316004436.db2.gz QSXIQOCRLNIYQQ-HNNXBMFYSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]c1C ZINC000574824215 316004437 /nfs/dbraw/zinc/00/44/37/316004437.db2.gz QSXIQOCRLNIYQQ-HNNXBMFYSA-N 2 2 318.490 3.090 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)c1 ZINC000575134229 316036677 /nfs/dbraw/zinc/03/66/77/316036677.db2.gz QKGVIFHEYLAPBF-JSGCOSHPSA-N 2 2 317.458 3.130 20 0 DGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)c1 ZINC000575134229 316036681 /nfs/dbraw/zinc/03/66/81/316036681.db2.gz QKGVIFHEYLAPBF-JSGCOSHPSA-N 2 2 317.458 3.130 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000575359790 316049962 /nfs/dbraw/zinc/04/99/62/316049962.db2.gz IGQKANFBDHNIFO-PKOBYXMFSA-N 2 2 310.445 3.045 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000575359790 316049964 /nfs/dbraw/zinc/04/99/64/316049964.db2.gz IGQKANFBDHNIFO-PKOBYXMFSA-N 2 2 310.445 3.045 20 0 DGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)CCO1 ZINC000576430717 316128807 /nfs/dbraw/zinc/12/88/07/316128807.db2.gz MMEWXBXYGZJJHH-NVXWUHKLSA-N 2 2 311.385 3.176 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)CCO1 ZINC000576430721 316129045 /nfs/dbraw/zinc/12/90/45/316129045.db2.gz MMEWXBXYGZJJHH-WBVHZDCISA-N 2 2 311.385 3.176 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000576627873 316150083 /nfs/dbraw/zinc/15/00/83/316150083.db2.gz GPFANRUSFNJUKW-UHFFFAOYSA-N 2 2 317.820 3.204 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000576634582 316150943 /nfs/dbraw/zinc/15/09/43/316150943.db2.gz USJOAZLDBGICMB-SFHVURJKSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000576634582 316150945 /nfs/dbraw/zinc/15/09/45/316150945.db2.gz USJOAZLDBGICMB-SFHVURJKSA-N 2 2 301.409 3.199 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000576695507 316157664 /nfs/dbraw/zinc/15/76/64/316157664.db2.gz CBFLVGSVZOANOG-CXAGYDPISA-N 2 2 315.461 3.000 20 0 DGADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)sc1Br ZINC000577105810 316202727 /nfs/dbraw/zinc/20/27/27/316202727.db2.gz WOIQIXSPDDEOKV-UHFFFAOYSA-N 2 2 305.285 3.203 20 0 DGADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)sc1Br ZINC000577105810 316202730 /nfs/dbraw/zinc/20/27/30/316202730.db2.gz WOIQIXSPDDEOKV-UHFFFAOYSA-N 2 2 305.285 3.203 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000577147976 316206735 /nfs/dbraw/zinc/20/67/35/316206735.db2.gz OPWZMOVJDZGIFU-LJQANCHMSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000577147976 316206737 /nfs/dbraw/zinc/20/67/37/316206737.db2.gz OPWZMOVJDZGIFU-LJQANCHMSA-N 2 2 308.510 3.388 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000577708286 316261682 /nfs/dbraw/zinc/26/16/82/316261682.db2.gz ZUSVOWOHFUFABY-WMZOPIPTSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000577708286 316261685 /nfs/dbraw/zinc/26/16/85/316261685.db2.gz ZUSVOWOHFUFABY-WMZOPIPTSA-N 2 2 322.880 3.154 20 0 DGADLP Clc1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179929990 323217521 /nfs/dbraw/zinc/21/75/21/323217521.db2.gz KUOQVJBXMPYWRA-WZHGYECESA-N 2 2 320.864 3.007 20 0 DGADLP Clc1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179929990 323217524 /nfs/dbraw/zinc/21/75/24/323217524.db2.gz KUOQVJBXMPYWRA-WZHGYECESA-N 2 2 320.864 3.007 20 0 DGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000181457266 323254637 /nfs/dbraw/zinc/25/46/37/323254637.db2.gz UPYKAYMUCZVQOH-JKSUJKDBSA-N 2 2 301.434 3.060 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](C)c1[nH+]ccn1C)Cc1ccccc1 ZINC000182358979 323295457 /nfs/dbraw/zinc/29/54/57/323295457.db2.gz OEWNFNQFNLGREH-AEFFLSMTSA-N 2 2 314.477 3.024 20 0 DGADLP CC1CCC([N@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)CC1 ZINC000182798994 323312969 /nfs/dbraw/zinc/31/29/69/323312969.db2.gz WFMKNLWUHSMMLI-ABHNRTSZSA-N 2 2 305.466 3.333 20 0 DGADLP CC1CCC([N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)CC1 ZINC000182798994 323312971 /nfs/dbraw/zinc/31/29/71/323312971.db2.gz WFMKNLWUHSMMLI-ABHNRTSZSA-N 2 2 305.466 3.333 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183567260 323341730 /nfs/dbraw/zinc/34/17/30/323341730.db2.gz UJCJRJZFTXEJBE-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183567260 323341733 /nfs/dbraw/zinc/34/17/33/323341733.db2.gz UJCJRJZFTXEJBE-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP CCC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000184914129 323377881 /nfs/dbraw/zinc/37/78/81/323377881.db2.gz XFKFXCUJFSEJPK-JZXOWHBKSA-N 2 2 305.466 3.012 20 0 DGADLP CCC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000184914129 323377885 /nfs/dbraw/zinc/37/78/85/323377885.db2.gz XFKFXCUJFSEJPK-JZXOWHBKSA-N 2 2 305.466 3.012 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722279 324031223 /nfs/dbraw/zinc/03/12/23/324031223.db2.gz HQAFXRJTDDLLSP-NEPJUHHUSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722279 324031227 /nfs/dbraw/zinc/03/12/27/324031227.db2.gz HQAFXRJTDDLLSP-NEPJUHHUSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722280 324031298 /nfs/dbraw/zinc/03/12/98/324031298.db2.gz HQAFXRJTDDLLSP-NWDGAFQWSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722280 324031302 /nfs/dbraw/zinc/03/13/02/324031302.db2.gz HQAFXRJTDDLLSP-NWDGAFQWSA-N 2 2 305.422 3.261 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)ccc2n1C ZINC000580889926 324050271 /nfs/dbraw/zinc/05/02/71/324050271.db2.gz BUIMHIHDURNTMC-KPZWWZAWSA-N 2 2 322.412 3.156 20 0 DGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000581164607 324081838 /nfs/dbraw/zinc/08/18/38/324081838.db2.gz WELWOWVUNLPYSU-LIRRHRJNSA-N 2 2 306.413 3.155 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000581243555 324094250 /nfs/dbraw/zinc/09/42/50/324094250.db2.gz MBVBIOLVLMRRJV-ZWKOTPCHSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000581243555 324094255 /nfs/dbraw/zinc/09/42/55/324094255.db2.gz MBVBIOLVLMRRJV-ZWKOTPCHSA-N 2 2 311.429 3.047 20 0 DGADLP C[C@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000581364031 324109406 /nfs/dbraw/zinc/10/94/06/324109406.db2.gz KMOMODYHJNVUBR-COPLHBTASA-N 2 2 317.260 3.005 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000581753193 324153065 /nfs/dbraw/zinc/15/30/65/324153065.db2.gz NLOSPSSFPIHBAZ-BEFAXECRSA-N 2 2 304.478 3.490 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(Cl)c2Cl)n1C ZINC000581930981 324169343 /nfs/dbraw/zinc/16/93/43/324169343.db2.gz QILFDDBUEVKHAD-UHFFFAOYSA-N 2 2 313.232 3.083 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H](C)n3cc[nH+]c3)c2C1 ZINC000582549563 324244935 /nfs/dbraw/zinc/24/49/35/324244935.db2.gz FZYLZBGXNDTYOX-AWEZNQCLSA-N 2 2 312.417 3.199 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H](C)n3cc[nH+]c3)c2C1 ZINC000582549563 324244937 /nfs/dbraw/zinc/24/49/37/324244937.db2.gz FZYLZBGXNDTYOX-AWEZNQCLSA-N 2 2 312.417 3.199 20 0 DGADLP COc1ccc([C@H]([NH2+]Cc2c[nH+]c(C)n2C)c2ccco2)cc1 ZINC000582737138 324268462 /nfs/dbraw/zinc/26/84/62/324268462.db2.gz SFEUPHAMWPMRFQ-SFHVURJKSA-N 2 2 311.385 3.209 20 0 DGADLP C[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000583376640 324345485 /nfs/dbraw/zinc/34/54/85/324345485.db2.gz XVBHDPPCNPODRW-INIZCTEOSA-N 2 2 321.424 3.069 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675599 324383157 /nfs/dbraw/zinc/38/31/57/324383157.db2.gz DCFZKLMDMRZCIS-SJLPKXTDSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675599 324383159 /nfs/dbraw/zinc/38/31/59/324383159.db2.gz DCFZKLMDMRZCIS-SJLPKXTDSA-N 2 2 322.880 3.154 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1sccc1Br ZINC000037320432 337364582 /nfs/dbraw/zinc/36/45/82/337364582.db2.gz QMFAZNMNCYLULJ-UWVGGRQHSA-N 2 2 314.252 3.446 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC001345482175 1179564694 /nfs/dbraw/zinc/56/46/94/1179564694.db2.gz LAKICJUHZPNEPI-TVQRCGJNSA-N 2 2 315.230 3.163 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCC1)c1ccccc1 ZINC000422760692 533790166 /nfs/dbraw/zinc/79/01/66/533790166.db2.gz LDNMDCBBYDPSAV-WDSOQIARSA-N 3 2 315.505 3.367 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915282 533829559 /nfs/dbraw/zinc/82/95/59/533829559.db2.gz LHHRCXJFKFTRCD-CALCHBBNSA-N 2 2 302.462 3.282 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915282 533829565 /nfs/dbraw/zinc/82/95/65/533829565.db2.gz LHHRCXJFKFTRCD-CALCHBBNSA-N 2 2 302.462 3.282 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000302683719 533909381 /nfs/dbraw/zinc/90/93/81/533909381.db2.gz XPYCUPUTHSLLQP-OAHLLOKOSA-N 2 2 311.429 3.226 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000422903049 533972331 /nfs/dbraw/zinc/97/23/31/533972331.db2.gz NXBOQGDJBXMUEQ-HUBLWGQQSA-N 2 2 316.367 3.419 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766007 534080778 /nfs/dbraw/zinc/08/07/78/534080778.db2.gz VVSTUVPIVMOGBZ-RYUDHWBXSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766007 534080788 /nfs/dbraw/zinc/08/07/88/534080788.db2.gz VVSTUVPIVMOGBZ-RYUDHWBXSA-N 2 2 305.422 3.118 20 0 DGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000295892491 534106735 /nfs/dbraw/zinc/10/67/35/534106735.db2.gz DQZWILIAZDJECR-CQSZACIVSA-N 2 2 324.852 3.043 20 0 DGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000295892491 534106739 /nfs/dbraw/zinc/10/67/39/534106739.db2.gz DQZWILIAZDJECR-CQSZACIVSA-N 2 2 324.852 3.043 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919534 534133386 /nfs/dbraw/zinc/13/33/86/534133386.db2.gz LLBVDHKWFZRHOO-SUNKGSAMSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919534 534133400 /nfs/dbraw/zinc/13/34/00/534133400.db2.gz LLBVDHKWFZRHOO-SUNKGSAMSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919535 534133570 /nfs/dbraw/zinc/13/35/70/534133570.db2.gz LLBVDHKWFZRHOO-UHIISALHSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919535 534133578 /nfs/dbraw/zinc/13/35/78/534133578.db2.gz LLBVDHKWFZRHOO-UHIISALHSA-N 2 2 320.824 3.120 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cs2)o1 ZINC000435622328 534213396 /nfs/dbraw/zinc/21/33/96/534213396.db2.gz RBQCTSIBODNJJJ-AWEZNQCLSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cs2)o1 ZINC000435622328 534213400 /nfs/dbraw/zinc/21/34/00/534213400.db2.gz RBQCTSIBODNJJJ-AWEZNQCLSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)o1 ZINC000430555113 534213859 /nfs/dbraw/zinc/21/38/59/534213859.db2.gz RONOQEUQQDXZQP-CHWSQXEVSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)o1 ZINC000430555113 534213861 /nfs/dbraw/zinc/21/38/61/534213861.db2.gz RONOQEUQQDXZQP-CHWSQXEVSA-N 2 2 305.447 3.271 20 0 DGADLP c1ccc(C(C[NH2+]CCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000194616344 534481371 /nfs/dbraw/zinc/48/13/71/534481371.db2.gz KSBFEYGDPPTJJG-UHFFFAOYSA-N 2 2 324.468 3.130 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccs1 ZINC000157281456 522088406 /nfs/dbraw/zinc/08/84/06/522088406.db2.gz LHDMFEFPJJAMMG-HRCADAONSA-N 2 2 301.459 3.085 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430971978 534643898 /nfs/dbraw/zinc/64/38/98/534643898.db2.gz QMUOBXFKBYEKNQ-HLLBOEOZSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430971978 534643906 /nfs/dbraw/zinc/64/39/06/534643906.db2.gz QMUOBXFKBYEKNQ-HLLBOEOZSA-N 2 2 317.477 3.115 20 0 DGADLP Clc1cccc(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000427862169 534642208 /nfs/dbraw/zinc/64/22/08/534642208.db2.gz FIXVZIBOFWEZJJ-SIWZUTFBSA-N 2 2 301.821 3.387 20 0 DGADLP Clc1ccccc1CN1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000415064470 534650720 /nfs/dbraw/zinc/65/07/20/534650720.db2.gz CPSYRUKMNFZSJP-QGZVFWFLSA-N 2 2 321.896 3.036 20 0 DGADLP CCc1nocc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000339203804 522948773 /nfs/dbraw/zinc/94/87/73/522948773.db2.gz LKIITJPVWQWMMM-UHFFFAOYSA-N 2 2 314.364 3.160 20 0 DGADLP Cc1cnccc1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000294691173 534710434 /nfs/dbraw/zinc/71/04/34/534710434.db2.gz FZRKMNJWWVBHLY-MRXNPFEDSA-N 2 2 301.459 3.378 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156322570 524175450 /nfs/dbraw/zinc/17/54/50/524175450.db2.gz REGGVAMRVGFSFD-BPQIPLTHSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156322570 524175463 /nfs/dbraw/zinc/17/54/63/524175463.db2.gz REGGVAMRVGFSFD-BPQIPLTHSA-N 2 2 304.434 3.130 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000154750910 524449302 /nfs/dbraw/zinc/44/93/02/524449302.db2.gz VVZBUKVATVMJRF-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000154750910 524449307 /nfs/dbraw/zinc/44/93/07/524449307.db2.gz VVZBUKVATVMJRF-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000154750910 524449315 /nfs/dbraw/zinc/44/93/15/524449315.db2.gz VVZBUKVATVMJRF-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000154750910 524449322 /nfs/dbraw/zinc/44/93/22/524449322.db2.gz VVZBUKVATVMJRF-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000158233265 524449876 /nfs/dbraw/zinc/44/98/76/524449876.db2.gz AOXVTTKCMCTCPH-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000158233265 524449885 /nfs/dbraw/zinc/44/98/85/524449885.db2.gz AOXVTTKCMCTCPH-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000157055540 525114912 /nfs/dbraw/zinc/11/49/12/525114912.db2.gz FXADTODANNARIC-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000157055540 525114920 /nfs/dbraw/zinc/11/49/20/525114920.db2.gz FXADTODANNARIC-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000157628665 525634425 /nfs/dbraw/zinc/63/44/25/525634425.db2.gz JCQJACKDWVCBKJ-FIKGOQFSSA-N 2 2 324.468 3.350 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000157628665 525634431 /nfs/dbraw/zinc/63/44/31/525634431.db2.gz JCQJACKDWVCBKJ-FIKGOQFSSA-N 2 2 324.468 3.350 20 0 DGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427888651 534878766 /nfs/dbraw/zinc/87/87/66/534878766.db2.gz XRUZFTUVBBVFNN-DGCLKSJQSA-N 2 2 304.463 3.437 20 0 DGADLP Brc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000415082077 526644379 /nfs/dbraw/zinc/64/43/79/526644379.db2.gz LRAIIEFTYQHYKF-GJZGRUSLSA-N 2 2 309.251 3.242 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415050874 526696507 /nfs/dbraw/zinc/69/65/07/526696507.db2.gz DJVUEQLDRQOHKK-ZDUSSCGKSA-N 2 2 322.346 3.230 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000441391708 526819957 /nfs/dbraw/zinc/81/99/57/526819957.db2.gz BTHQMPCBHKHLLP-GOEBONIOSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000441391708 526819962 /nfs/dbraw/zinc/81/99/62/526819962.db2.gz BTHQMPCBHKHLLP-GOEBONIOSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000441391708 526819969 /nfs/dbraw/zinc/81/99/69/526819969.db2.gz BTHQMPCBHKHLLP-GOEBONIOSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000441391708 526819975 /nfs/dbraw/zinc/81/99/75/526819975.db2.gz BTHQMPCBHKHLLP-GOEBONIOSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000294683702 527168864 /nfs/dbraw/zinc/16/88/64/527168864.db2.gz BTFBNXUHKZUNAT-UHFFFAOYSA-N 2 2 310.445 3.013 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000163344178 527445022 /nfs/dbraw/zinc/44/50/22/527445022.db2.gz DUBXAZMPCKGAMI-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000163344178 527445023 /nfs/dbraw/zinc/44/50/23/527445023.db2.gz DUBXAZMPCKGAMI-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP CC(C)CCC[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415136874 527704854 /nfs/dbraw/zinc/70/48/54/527704854.db2.gz SPHDBAIBTSJJIL-UHFFFAOYSA-N 3 2 303.494 3.006 20 0 DGADLP CC1(C)OCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297357311 527803250 /nfs/dbraw/zinc/80/32/50/527803250.db2.gz POIZJYUGKRYVGX-HNNXBMFYSA-N 2 2 305.809 3.183 20 0 DGADLP CC1(C)OCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297357315 527811283 /nfs/dbraw/zinc/81/12/83/527811283.db2.gz POIZJYUGKRYVGX-OAHLLOKOSA-N 2 2 305.809 3.183 20 0 DGADLP CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435616933 527925661 /nfs/dbraw/zinc/92/56/61/527925661.db2.gz UUOVJZHIUYSXKC-AWEZNQCLSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435616933 527925668 /nfs/dbraw/zinc/92/56/68/527925668.db2.gz UUOVJZHIUYSXKC-AWEZNQCLSA-N 2 2 323.868 3.051 20 0 DGADLP CCO[C@H](C)c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000332002879 528010419 /nfs/dbraw/zinc/01/04/19/528010419.db2.gz ZYUFNGNQWYASMJ-GFCCVEGCSA-N 2 2 320.462 3.343 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)n2)cc1 ZINC000442758983 528053813 /nfs/dbraw/zinc/05/38/13/528053813.db2.gz CIZVKMNJPSOIQS-KBPBESRZSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)n2)cc1 ZINC000442758983 528053819 /nfs/dbraw/zinc/05/38/19/528053819.db2.gz CIZVKMNJPSOIQS-KBPBESRZSA-N 2 2 314.433 3.029 20 0 DGADLP CCOc1c(Cl)cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415057129 528171876 /nfs/dbraw/zinc/17/18/76/528171876.db2.gz QZFHETYOOMDCJP-AWEZNQCLSA-N 2 2 314.857 3.210 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000432787924 528181097 /nfs/dbraw/zinc/18/10/97/528181097.db2.gz IUIKXPCFQJRBFE-CABCVRRESA-N 2 2 321.513 3.092 20 0 DGADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000294704626 528183411 /nfs/dbraw/zinc/18/34/11/528183411.db2.gz GXIGXESJZHORSM-UHFFFAOYSA-N 2 2 302.462 3.438 20 0 DGADLP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000320556922 528208751 /nfs/dbraw/zinc/20/87/51/528208751.db2.gz JPEWTPZXKHIIJU-AWEZNQCLSA-N 2 2 316.449 3.124 20 0 DGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000320889805 528240608 /nfs/dbraw/zinc/24/06/08/528240608.db2.gz UJQCAWOYHHRHTK-CQSZACIVSA-N 2 2 316.449 3.124 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000431809051 528363588 /nfs/dbraw/zinc/36/35/88/528363588.db2.gz DMOUWUSKLJWGKD-FUHWJXTLSA-N 2 2 324.472 3.487 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000431809051 528363593 /nfs/dbraw/zinc/36/35/93/528363593.db2.gz DMOUWUSKLJWGKD-FUHWJXTLSA-N 2 2 324.472 3.487 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000430595043 528508582 /nfs/dbraw/zinc/50/85/82/528508582.db2.gz TVOBUUOETVMIRV-INIZCTEOSA-N 2 2 319.493 3.228 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000430595043 528508587 /nfs/dbraw/zinc/50/85/87/528508587.db2.gz TVOBUUOETVMIRV-INIZCTEOSA-N 2 2 319.493 3.228 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309774629 528568760 /nfs/dbraw/zinc/56/87/60/528568760.db2.gz BXFMAMCFNQIEOA-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309774629 528568763 /nfs/dbraw/zinc/56/87/63/528568763.db2.gz BXFMAMCFNQIEOA-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292683951 528624462 /nfs/dbraw/zinc/62/44/62/528624462.db2.gz AVWHSHIZYROMKU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292683951 528624467 /nfs/dbraw/zinc/62/44/67/528624467.db2.gz AVWHSHIZYROMKU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000292683951 528624473 /nfs/dbraw/zinc/62/44/73/528624473.db2.gz AVWHSHIZYROMKU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000292683951 528624477 /nfs/dbraw/zinc/62/44/77/528624477.db2.gz AVWHSHIZYROMKU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000423185466 528690309 /nfs/dbraw/zinc/69/03/09/528690309.db2.gz JMRFJNNCERWRLD-HOCLYGCPSA-N 2 2 306.450 3.277 20 0 DGADLP CCC(CC)(C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000319591839 528692904 /nfs/dbraw/zinc/69/29/04/528692904.db2.gz VILGOUOVPVPGAQ-UHFFFAOYSA-N 2 2 301.434 3.476 20 0 DGADLP CCn1c(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)nc2c1cccc2F ZINC000435618547 528885243 /nfs/dbraw/zinc/88/52/43/528885243.db2.gz ZFAOQCYJQRAPDQ-AWEZNQCLSA-N 2 2 318.440 3.159 20 0 DGADLP CCn1c(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)nc2c1cccc2F ZINC000435618547 528885254 /nfs/dbraw/zinc/88/52/54/528885254.db2.gz ZFAOQCYJQRAPDQ-AWEZNQCLSA-N 2 2 318.440 3.159 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000493763133 535151276 /nfs/dbraw/zinc/15/12/76/535151276.db2.gz DIBZTBYWYJKCCV-KGLIPLIRSA-N 2 2 314.433 3.272 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000471801898 535216090 /nfs/dbraw/zinc/21/60/90/535216090.db2.gz YQEAIRCEMFIVNN-SJLPKXTDSA-N 2 2 304.478 3.353 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000471801898 535216094 /nfs/dbraw/zinc/21/60/94/535216094.db2.gz YQEAIRCEMFIVNN-SJLPKXTDSA-N 2 2 304.478 3.353 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488454689 535269472 /nfs/dbraw/zinc/26/94/72/535269472.db2.gz DQJIGOUPXZVWNW-WBVHZDCISA-N 2 2 301.459 3.492 20 0 DGADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459489378 536865047 /nfs/dbraw/zinc/86/50/47/536865047.db2.gz ANUXLKNZXHBAGO-UHFFFAOYSA-N 2 2 300.402 3.158 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2CO)C[N@@H+]1Cc1ccccc1 ZINC000090171257 545822283 /nfs/dbraw/zinc/82/22/83/545822283.db2.gz UOOUDXNVQQIFGQ-HXUWFJFHSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2CO)C[N@H+]1Cc1ccccc1 ZINC000090171257 545822289 /nfs/dbraw/zinc/82/22/89/545822289.db2.gz UOOUDXNVQQIFGQ-HXUWFJFHSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000090187313 545825185 /nfs/dbraw/zinc/82/51/85/545825185.db2.gz MGUXTMWOMZBWRB-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000090187313 545825193 /nfs/dbraw/zinc/82/51/93/545825193.db2.gz MGUXTMWOMZBWRB-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cc(C)ccc1OC ZINC000091734224 545837758 /nfs/dbraw/zinc/83/77/58/545837758.db2.gz CGGTXAFCGMSJKH-SFHVURJKSA-N 2 2 320.477 3.155 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(F)F ZINC000092045132 545843740 /nfs/dbraw/zinc/84/37/40/545843740.db2.gz MBPNYUMYIGTAIT-UHFFFAOYSA-N 2 2 300.393 3.103 20 0 DGADLP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(F)F ZINC000092045132 545843744 /nfs/dbraw/zinc/84/37/44/545843744.db2.gz MBPNYUMYIGTAIT-UHFFFAOYSA-N 2 2 300.393 3.103 20 0 DGADLP Fc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000120837686 545891313 /nfs/dbraw/zinc/89/13/13/545891313.db2.gz YMYSETMGDHZOND-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000150911266 545990292 /nfs/dbraw/zinc/99/02/92/545990292.db2.gz NCKFFJFVQWHBMX-WBVHZDCISA-N 3 2 321.534 3.205 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000154158034 546014802 /nfs/dbraw/zinc/01/48/02/546014802.db2.gz KAVRRRWXBMDCPO-CRAIPNDOSA-N 2 2 302.462 3.244 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc4c(c3)OCO4)[nH+]c12 ZINC000156347466 546033420 /nfs/dbraw/zinc/03/34/20/546033420.db2.gz JRSUQKVTGPELQM-CQSZACIVSA-N 2 2 323.396 3.265 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157786094 546044022 /nfs/dbraw/zinc/04/40/22/546044022.db2.gz ALNLOPDUGWGNOJ-APWZRJJASA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157786094 546044024 /nfs/dbraw/zinc/04/40/24/546044024.db2.gz ALNLOPDUGWGNOJ-APWZRJJASA-N 2 2 300.446 3.147 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](CCc2ccccc2)C(C)C)CC1 ZINC000163722271 546084698 /nfs/dbraw/zinc/08/46/98/546084698.db2.gz HLJKPJIBUOBJBS-FQEVSTJZSA-N 2 2 318.505 3.344 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000164126434 546087028 /nfs/dbraw/zinc/08/70/28/546087028.db2.gz TZDVKJSRWNUERG-WFASDCNBSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000164126434 546087033 /nfs/dbraw/zinc/08/70/33/546087033.db2.gz TZDVKJSRWNUERG-WFASDCNBSA-N 2 2 311.267 3.317 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)[NH+](C)C)cc1 ZINC000179960218 546140556 /nfs/dbraw/zinc/14/05/56/546140556.db2.gz KUIOHGHGQMEPKD-SCLBCKFNSA-N 2 2 300.450 3.234 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCO2 ZINC000180406690 546144472 /nfs/dbraw/zinc/14/44/72/546144472.db2.gz IKJPBOLWINHUHH-GOSISDBHSA-N 2 2 318.461 3.371 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CCO2 ZINC000180406703 546144745 /nfs/dbraw/zinc/14/47/45/546144745.db2.gz IKJPBOLWINHUHH-SFHVURJKSA-N 2 2 318.461 3.371 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3[nH+]ccn31)CCO2 ZINC000187546004 546200508 /nfs/dbraw/zinc/20/05/08/546200508.db2.gz FKLKCSUTVBPUSY-QGZVFWFLSA-N 2 2 323.396 3.346 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229092794 546271074 /nfs/dbraw/zinc/27/10/74/546271074.db2.gz WEPBCPFAFUYULQ-YPMHNXCESA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229092794 546271076 /nfs/dbraw/zinc/27/10/76/546271076.db2.gz WEPBCPFAFUYULQ-YPMHNXCESA-N 2 2 305.447 3.128 20 0 DGADLP Oc1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000237967674 546291261 /nfs/dbraw/zinc/29/12/61/546291261.db2.gz WPLXMBRMQPWEMC-INIZCTEOSA-N 2 2 302.443 3.380 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993413 546307831 /nfs/dbraw/zinc/30/78/31/546307831.db2.gz KITKKVJTBXVRFJ-ZQIUZPCESA-N 2 2 300.450 3.332 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993413 546307834 /nfs/dbraw/zinc/30/78/34/546307834.db2.gz KITKKVJTBXVRFJ-ZQIUZPCESA-N 2 2 300.450 3.332 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251683785 546329879 /nfs/dbraw/zinc/32/98/79/546329879.db2.gz IBERGZXKEZDOOR-QMTHXVAHSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251683785 546329884 /nfs/dbraw/zinc/32/98/84/546329884.db2.gz IBERGZXKEZDOOR-QMTHXVAHSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@H]1[NH3+] ZINC000251775731 546330036 /nfs/dbraw/zinc/33/00/36/546330036.db2.gz MSWPKJJJAQWLHO-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1[NH3+] ZINC000251775731 546330038 /nfs/dbraw/zinc/33/00/38/546330038.db2.gz MSWPKJJJAQWLHO-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267455604 546346928 /nfs/dbraw/zinc/34/69/28/546346928.db2.gz SWUASZBRJDIGDS-CQSZACIVSA-N 2 2 307.401 3.041 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267455604 546346932 /nfs/dbraw/zinc/34/69/32/546346932.db2.gz SWUASZBRJDIGDS-CQSZACIVSA-N 2 2 307.401 3.041 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267455601 546347024 /nfs/dbraw/zinc/34/70/24/546347024.db2.gz SWUASZBRJDIGDS-AWEZNQCLSA-N 2 2 307.401 3.041 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267455601 546347029 /nfs/dbraw/zinc/34/70/29/546347029.db2.gz SWUASZBRJDIGDS-AWEZNQCLSA-N 2 2 307.401 3.041 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000270089506 546354193 /nfs/dbraw/zinc/35/41/93/546354193.db2.gz WWIYGKSIQNADNQ-INIZCTEOSA-N 2 2 321.428 3.421 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697927 546407811 /nfs/dbraw/zinc/40/78/11/546407811.db2.gz WZDBUGJEEVAVSA-RDJZCZTQSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697927 546407817 /nfs/dbraw/zinc/40/78/17/546407817.db2.gz WZDBUGJEEVAVSA-RDJZCZTQSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303491094 546439978 /nfs/dbraw/zinc/43/99/78/546439978.db2.gz LEHKXCMVMIIAOA-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303491094 546439982 /nfs/dbraw/zinc/43/99/82/546439982.db2.gz LEHKXCMVMIIAOA-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP COc1cc(F)cc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000312281653 546453486 /nfs/dbraw/zinc/45/34/86/546453486.db2.gz WETZLMLBZQBRAD-UHFFFAOYSA-N 2 2 313.376 3.282 20 0 DGADLP CCc1cc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000359712115 546711291 /nfs/dbraw/zinc/71/12/91/546711291.db2.gz CAPWZNXBWPQQCM-JKIFEVAISA-N 2 2 302.466 3.189 20 0 DGADLP CCc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000359712115 546711298 /nfs/dbraw/zinc/71/12/98/546711298.db2.gz CAPWZNXBWPQQCM-JKIFEVAISA-N 2 2 302.466 3.189 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832224 546752043 /nfs/dbraw/zinc/75/20/43/546752043.db2.gz ICBKWTWIHRQNFS-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832224 546752048 /nfs/dbraw/zinc/75/20/48/546752048.db2.gz ICBKWTWIHRQNFS-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccsc2)cc[nH+]1 ZINC000413450509 546777230 /nfs/dbraw/zinc/77/72/30/546777230.db2.gz KAQIKIPBVIYZBL-UHFFFAOYSA-N 2 2 304.463 3.230 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)n1C ZINC000419694240 546804123 /nfs/dbraw/zinc/80/41/23/546804123.db2.gz JXYBZSGPFSKBSW-IRXDYDNUSA-N 2 2 312.461 3.302 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)n1C ZINC000419694241 546804659 /nfs/dbraw/zinc/80/46/59/546804659.db2.gz JXYBZSGPFSKBSW-SJORKVTESA-N 2 2 312.461 3.302 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419703053 546805183 /nfs/dbraw/zinc/80/51/83/546805183.db2.gz CFVIXQIWDPDNNX-GFCCVEGCSA-N 2 2 304.463 3.059 20 0 DGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453364308 546860374 /nfs/dbraw/zinc/86/03/74/546860374.db2.gz MYONIJAFHSSNBB-SJLPKXTDSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453364308 546860379 /nfs/dbraw/zinc/86/03/79/546860379.db2.gz MYONIJAFHSSNBB-SJLPKXTDSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cccnc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453364309 546860632 /nfs/dbraw/zinc/86/06/32/546860632.db2.gz MYONIJAFHSSNBB-WMZOPIPTSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453364309 546860637 /nfs/dbraw/zinc/86/06/37/546860637.db2.gz MYONIJAFHSSNBB-WMZOPIPTSA-N 2 2 311.429 3.015 20 0 DGADLP COCC[N@H+](Cc1c[nH+]c2n1CCC2)Cc1ccc(C)cc1C ZINC000667519101 547209412 /nfs/dbraw/zinc/20/94/12/547209412.db2.gz OPNKXDLREJZNHT-UHFFFAOYSA-N 2 2 313.445 3.095 20 0 DGADLP COCC[N@@H+](Cc1c[nH+]c2n1CCC2)Cc1ccc(C)cc1C ZINC000667519101 547209416 /nfs/dbraw/zinc/20/94/16/547209416.db2.gz OPNKXDLREJZNHT-UHFFFAOYSA-N 2 2 313.445 3.095 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)n1C ZINC000667533630 547214084 /nfs/dbraw/zinc/21/40/84/547214084.db2.gz YQJISINESJJTEX-UHFFFAOYSA-N 2 2 321.371 3.050 20 0 DGADLP c1cc(C[NH+]2CCC(c3ccccn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667555239 547223983 /nfs/dbraw/zinc/22/39/83/547223983.db2.gz VEVGPHNLJXZKTR-UHFFFAOYSA-N 2 2 319.412 3.042 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000667689812 547274842 /nfs/dbraw/zinc/27/48/42/547274842.db2.gz IULWZBZWONSRHQ-KXBFYZLASA-N 2 2 304.397 3.460 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000667689812 547274849 /nfs/dbraw/zinc/27/48/49/547274849.db2.gz IULWZBZWONSRHQ-KXBFYZLASA-N 2 2 304.397 3.460 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705579 547281028 /nfs/dbraw/zinc/28/10/28/547281028.db2.gz GXZFBFLIOQSVQI-RHSMWYFYSA-N 2 2 318.436 3.283 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705579 547281034 /nfs/dbraw/zinc/28/10/34/547281034.db2.gz GXZFBFLIOQSVQI-RHSMWYFYSA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705579 547281040 /nfs/dbraw/zinc/28/10/40/547281040.db2.gz GXZFBFLIOQSVQI-RHSMWYFYSA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705579 547281043 /nfs/dbraw/zinc/28/10/43/547281043.db2.gz GXZFBFLIOQSVQI-RHSMWYFYSA-N 2 2 318.436 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1C ZINC000667983865 547354506 /nfs/dbraw/zinc/35/45/06/547354506.db2.gz CJQOOCUXNUQJGB-SJLPKXTDSA-N 2 2 317.408 3.220 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1C ZINC000667983865 547354511 /nfs/dbraw/zinc/35/45/11/547354511.db2.gz CJQOOCUXNUQJGB-SJLPKXTDSA-N 2 2 317.408 3.220 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000668063076 547372451 /nfs/dbraw/zinc/37/24/51/547372451.db2.gz COTYSWLDEKSYIY-OAHLLOKOSA-N 2 2 306.425 3.283 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000668063076 547372453 /nfs/dbraw/zinc/37/24/53/547372453.db2.gz COTYSWLDEKSYIY-OAHLLOKOSA-N 2 2 306.425 3.283 20 0 DGADLP FC(F)(F)CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668115212 547388654 /nfs/dbraw/zinc/38/86/54/547388654.db2.gz UCELWGFEPSARHP-UHFFFAOYSA-N 2 2 324.350 3.432 20 0 DGADLP Cc1ncsc1-c1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000668163312 547399284 /nfs/dbraw/zinc/39/92/84/547399284.db2.gz ZZYFNYVJOCLQIQ-UHFFFAOYSA-N 2 2 313.470 3.399 20 0 DGADLP Cc1ncsc1-c1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000668163312 547399286 /nfs/dbraw/zinc/39/92/86/547399286.db2.gz ZZYFNYVJOCLQIQ-UHFFFAOYSA-N 2 2 313.470 3.399 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)CCc2cccc(Br)c2)n1C ZINC000668183510 547407936 /nfs/dbraw/zinc/40/79/36/547407936.db2.gz GPMIZDZDEDWOQL-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)CCc2cccc(Br)c2)n1C ZINC000668183510 547407938 /nfs/dbraw/zinc/40/79/38/547407938.db2.gz GPMIZDZDEDWOQL-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194244 547411098 /nfs/dbraw/zinc/41/10/98/547411098.db2.gz BVGLZZKWPWBFIT-IBGZPJMESA-N 2 2 318.436 3.285 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194244 547411112 /nfs/dbraw/zinc/41/11/12/547411112.db2.gz BVGLZZKWPWBFIT-IBGZPJMESA-N 2 2 318.436 3.285 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194244 547411118 /nfs/dbraw/zinc/41/11/18/547411118.db2.gz BVGLZZKWPWBFIT-IBGZPJMESA-N 2 2 318.436 3.285 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194244 547411122 /nfs/dbraw/zinc/41/11/22/547411122.db2.gz BVGLZZKWPWBFIT-IBGZPJMESA-N 2 2 318.436 3.285 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194245 547411485 /nfs/dbraw/zinc/41/14/85/547411485.db2.gz BVGLZZKWPWBFIT-LJQANCHMSA-N 2 2 318.436 3.285 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194245 547411490 /nfs/dbraw/zinc/41/14/90/547411490.db2.gz BVGLZZKWPWBFIT-LJQANCHMSA-N 2 2 318.436 3.285 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194245 547411496 /nfs/dbraw/zinc/41/14/96/547411496.db2.gz BVGLZZKWPWBFIT-LJQANCHMSA-N 2 2 318.436 3.285 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)C1 ZINC000668194245 547411500 /nfs/dbraw/zinc/41/15/00/547411500.db2.gz BVGLZZKWPWBFIT-LJQANCHMSA-N 2 2 318.436 3.285 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)n1C ZINC000668225146 547421458 /nfs/dbraw/zinc/42/14/58/547421458.db2.gz FVBWBTQHYFQDTO-UHFFFAOYSA-N 2 2 319.399 3.461 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2F)n1C ZINC000668274175 547434187 /nfs/dbraw/zinc/43/41/87/547434187.db2.gz WTKMJBIVSXKNIG-SFHVURJKSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2F)n1C ZINC000668274175 547434188 /nfs/dbraw/zinc/43/41/88/547434188.db2.gz WTKMJBIVSXKNIG-SFHVURJKSA-N 2 2 301.409 3.465 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1O ZINC000668459325 547459795 /nfs/dbraw/zinc/45/97/95/547459795.db2.gz RTIOGROSJUJMQW-ZBFHGGJFSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1O ZINC000668459325 547459796 /nfs/dbraw/zinc/45/97/96/547459796.db2.gz RTIOGROSJUJMQW-ZBFHGGJFSA-N 2 2 320.477 3.184 20 0 DGADLP C[N@@H+](Cc1cnc(-c2c(F)cccc2F)s1)CC1C[NH+](C)C1 ZINC000668538842 547474506 /nfs/dbraw/zinc/47/45/06/547474506.db2.gz HYTURSKYRYYFGQ-UHFFFAOYSA-N 2 2 323.412 3.082 20 0 DGADLP C[N@H+](Cc1cnc(-c2c(F)cccc2F)s1)CC1C[NH+](C)C1 ZINC000668538842 547474512 /nfs/dbraw/zinc/47/45/12/547474512.db2.gz HYTURSKYRYYFGQ-UHFFFAOYSA-N 2 2 323.412 3.082 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668682700 547508251 /nfs/dbraw/zinc/50/82/51/547508251.db2.gz MPLPBXKCXSAXTI-VJFUWPCTSA-N 2 2 302.462 3.492 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668682700 547508254 /nfs/dbraw/zinc/50/82/54/547508254.db2.gz MPLPBXKCXSAXTI-VJFUWPCTSA-N 2 2 302.462 3.492 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CCO1 ZINC000668785871 547541610 /nfs/dbraw/zinc/54/16/10/547541610.db2.gz ZZPQVZNFPSWSCC-IVZVJUQRSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CCO1 ZINC000668785871 547541613 /nfs/dbraw/zinc/54/16/13/547541613.db2.gz ZZPQVZNFPSWSCC-IVZVJUQRSA-N 2 2 324.415 3.021 20 0 DGADLP Cc1cc2cc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)oc2cc1C ZINC000668793482 547543493 /nfs/dbraw/zinc/54/34/93/547543493.db2.gz CVMQJJKYYMVOQJ-UHFFFAOYSA-N 2 2 324.428 3.105 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000669618817 547662089 /nfs/dbraw/zinc/66/20/89/547662089.db2.gz XSEIMWNMASSCQB-GOSISDBHSA-N 3 2 321.553 3.353 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000669702457 547675296 /nfs/dbraw/zinc/67/52/96/547675296.db2.gz XRUSQINZQWKESU-JKSUJKDBSA-N 2 2 315.461 3.394 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCOC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000669832812 547692071 /nfs/dbraw/zinc/69/20/71/547692071.db2.gz MQOSGKVAWOGFRY-OAHLLOKOSA-N 2 2 312.404 3.258 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCOC(F)F)C[N@H+]1Cc1ccccc1 ZINC000669832812 547692074 /nfs/dbraw/zinc/69/20/74/547692074.db2.gz MQOSGKVAWOGFRY-OAHLLOKOSA-N 2 2 312.404 3.258 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCOC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000669832811 547692305 /nfs/dbraw/zinc/69/23/05/547692305.db2.gz MQOSGKVAWOGFRY-HNNXBMFYSA-N 2 2 312.404 3.258 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCOC(F)F)C[N@H+]1Cc1ccccc1 ZINC000669832811 547692309 /nfs/dbraw/zinc/69/23/09/547692309.db2.gz MQOSGKVAWOGFRY-HNNXBMFYSA-N 2 2 312.404 3.258 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931603 547709381 /nfs/dbraw/zinc/70/93/81/547709381.db2.gz KEVKPWYMICGQFI-IRXDYDNUSA-N 2 2 310.869 3.490 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931603 547709383 /nfs/dbraw/zinc/70/93/83/547709383.db2.gz KEVKPWYMICGQFI-IRXDYDNUSA-N 2 2 310.869 3.490 20 0 DGADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985596 547766941 /nfs/dbraw/zinc/76/69/41/547766941.db2.gz FFWRPCRXQIYUKE-HKUYNNGSSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985596 547766946 /nfs/dbraw/zinc/76/69/46/547766946.db2.gz FFWRPCRXQIYUKE-HKUYNNGSSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1nc2ccc(C[NH2+]Cc3c[nH+]c4n3CCCC4)cc2s1 ZINC000671194997 547775399 /nfs/dbraw/zinc/77/53/99/547775399.db2.gz SFEJSUCIQBSNBK-UHFFFAOYSA-N 2 2 312.442 3.427 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)nc2)C[C@H]1n1cc[nH+]c1 ZINC000671306509 547787162 /nfs/dbraw/zinc/78/71/62/547787162.db2.gz AZYTYAMAHQDSBH-GDBMZVCRSA-N 2 2 313.449 3.054 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C[C@H]1n1cc[nH+]c1 ZINC000671306509 547787165 /nfs/dbraw/zinc/78/71/65/547787165.db2.gz AZYTYAMAHQDSBH-GDBMZVCRSA-N 2 2 313.449 3.054 20 0 DGADLP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727071 547817032 /nfs/dbraw/zinc/81/70/32/547817032.db2.gz XYZDPQPMFKKOKT-QRQLOZEOSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727071 547817036 /nfs/dbraw/zinc/81/70/36/547817036.db2.gz XYZDPQPMFKKOKT-QRQLOZEOSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cccn2c(C[NH2+]CC(C)(C)[C@@H]3CCCCO3)c[nH+]c12 ZINC000675157498 548162219 /nfs/dbraw/zinc/16/22/19/548162219.db2.gz UHSMJQJGPORMOL-INIZCTEOSA-N 2 2 301.434 3.328 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000675766137 548266115 /nfs/dbraw/zinc/26/61/15/548266115.db2.gz WBLFTQOHENDAGO-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000675766137 548266120 /nfs/dbraw/zinc/26/61/20/548266120.db2.gz WBLFTQOHENDAGO-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766117 548266705 /nfs/dbraw/zinc/26/67/05/548266705.db2.gz UOMKDJPMKJLKBC-IUODEOHRSA-N 2 2 314.351 3.256 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766117 548266709 /nfs/dbraw/zinc/26/67/09/548266709.db2.gz UOMKDJPMKJLKBC-IUODEOHRSA-N 2 2 314.351 3.256 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000675768444 548267040 /nfs/dbraw/zinc/26/70/40/548267040.db2.gz YDDAMTATRGHXLO-KBPBESRZSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000675768444 548267046 /nfs/dbraw/zinc/26/70/46/548267046.db2.gz YDDAMTATRGHXLO-KBPBESRZSA-N 2 2 323.868 3.049 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000675766320 548267436 /nfs/dbraw/zinc/26/74/36/548267436.db2.gz JBFLCGCZBLMDMC-DGCLKSJQSA-N 2 2 314.376 3.041 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000675766320 548267439 /nfs/dbraw/zinc/26/74/39/548267439.db2.gz JBFLCGCZBLMDMC-DGCLKSJQSA-N 2 2 314.376 3.041 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000676119107 548322931 /nfs/dbraw/zinc/32/29/31/548322931.db2.gz LGUFRTNGLZXYLN-QUCCMNQESA-N 2 2 323.484 3.375 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000676119107 548322936 /nfs/dbraw/zinc/32/29/36/548322936.db2.gz LGUFRTNGLZXYLN-QUCCMNQESA-N 2 2 323.484 3.375 20 0 DGADLP Cc1cccn2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)[nH+]c12 ZINC000676712485 548399965 /nfs/dbraw/zinc/39/99/65/548399965.db2.gz INOOQIIPEMQFJI-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)[nH+]c12 ZINC000676712485 548399970 /nfs/dbraw/zinc/39/99/70/548399970.db2.gz INOOQIIPEMQFJI-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712485 548399975 /nfs/dbraw/zinc/39/99/75/548399975.db2.gz INOOQIIPEMQFJI-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712485 548399979 /nfs/dbraw/zinc/39/99/79/548399979.db2.gz INOOQIIPEMQFJI-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc12 ZINC000676712485 548399982 /nfs/dbraw/zinc/39/99/82/548399982.db2.gz INOOQIIPEMQFJI-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc12 ZINC000676712485 548399985 /nfs/dbraw/zinc/39/99/85/548399985.db2.gz INOOQIIPEMQFJI-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2(O)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749568 548550532 /nfs/dbraw/zinc/55/05/32/548550532.db2.gz NYDSKYUWAOEPIH-GOSISDBHSA-N 2 2 316.489 3.324 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2(O)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000677749568 548550536 /nfs/dbraw/zinc/55/05/36/548550536.db2.gz NYDSKYUWAOEPIH-GOSISDBHSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677750721 548550741 /nfs/dbraw/zinc/55/07/41/548550741.db2.gz ZGSBDHOLUNJBNT-BQFCYCMXSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677750721 548550743 /nfs/dbraw/zinc/55/07/43/548550743.db2.gz ZGSBDHOLUNJBNT-BQFCYCMXSA-N 2 2 304.478 3.036 20 0 DGADLP CCCCOCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805800 548559023 /nfs/dbraw/zinc/55/90/23/548559023.db2.gz QHRDFFJPSNDHQW-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP CCCCOCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805800 548559031 /nfs/dbraw/zinc/55/90/31/548559031.db2.gz QHRDFFJPSNDHQW-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000678143722 548625099 /nfs/dbraw/zinc/62/50/99/548625099.db2.gz VNIQTBXGNBRWSE-CRAIPNDOSA-N 2 2 306.413 3.450 20 0 DGADLP CCCn1c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235090 548648665 /nfs/dbraw/zinc/64/86/65/548648665.db2.gz ODZVOMRTFSOPHF-MRXNPFEDSA-N 2 2 323.444 3.480 20 0 DGADLP CCCn1c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235090 548648667 /nfs/dbraw/zinc/64/86/67/548648667.db2.gz ODZVOMRTFSOPHF-MRXNPFEDSA-N 2 2 323.444 3.480 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235062 548648775 /nfs/dbraw/zinc/64/87/75/548648775.db2.gz NVXSMFQRTSHUFI-LJQANCHMSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235062 548648778 /nfs/dbraw/zinc/64/87/78/548648778.db2.gz NVXSMFQRTSHUFI-LJQANCHMSA-N 2 2 321.428 3.214 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234852 548648991 /nfs/dbraw/zinc/64/89/91/548648991.db2.gz MJMYVJJWPNGIOL-HIFRSBDPSA-N 2 2 318.446 3.028 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234852 548648995 /nfs/dbraw/zinc/64/89/95/548648995.db2.gz MJMYVJJWPNGIOL-HIFRSBDPSA-N 2 2 318.446 3.028 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678234862 548649043 /nfs/dbraw/zinc/64/90/43/548649043.db2.gz MKLTXMBIGALSQC-AWEZNQCLSA-N 2 2 319.478 3.023 20 0 DGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678234862 548649046 /nfs/dbraw/zinc/64/90/46/548649046.db2.gz MKLTXMBIGALSQC-AWEZNQCLSA-N 2 2 319.478 3.023 20 0 DGADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000678235638 548649230 /nfs/dbraw/zinc/64/92/30/548649230.db2.gz XLWACOZXWGWTHN-KRWDZBQOSA-N 2 2 311.429 3.434 20 0 DGADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000678235638 548649233 /nfs/dbraw/zinc/64/92/33/548649233.db2.gz XLWACOZXWGWTHN-KRWDZBQOSA-N 2 2 311.429 3.434 20 0 DGADLP Fc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1-c1cccs1 ZINC000678343025 548684614 /nfs/dbraw/zinc/68/46/14/548684614.db2.gz KPXDKMQUCMVWTR-ZIAGYGMSSA-N 2 2 302.418 3.205 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464119 548710075 /nfs/dbraw/zinc/71/00/75/548710075.db2.gz YNZPRSSNIYPOEZ-LSDHHAIUSA-N 2 2 300.406 3.181 20 0 DGADLP Cc1cnc([C@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464119 548710082 /nfs/dbraw/zinc/71/00/82/548710082.db2.gz YNZPRSSNIYPOEZ-LSDHHAIUSA-N 2 2 300.406 3.181 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000678735376 548754928 /nfs/dbraw/zinc/75/49/28/548754928.db2.gz USMUTDVKBXJNPU-FXAWDEMLSA-N 2 2 312.457 3.139 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000678735376 548754930 /nfs/dbraw/zinc/75/49/30/548754930.db2.gz USMUTDVKBXJNPU-FXAWDEMLSA-N 2 2 312.457 3.139 20 0 DGADLP C[C@H]1Cc2ccccc2N1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000678885844 548787308 /nfs/dbraw/zinc/78/73/08/548787308.db2.gz HZBKYVUSMIZRTK-KRWDZBQOSA-N 2 2 324.472 3.189 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)C12CCC2 ZINC000678926832 548794196 /nfs/dbraw/zinc/79/41/96/548794196.db2.gz MIZCVBFMEXRWPV-IAGOWNOFSA-N 2 2 313.445 3.123 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045981 548822772 /nfs/dbraw/zinc/82/27/72/548822772.db2.gz YPVKINDJIBBQOG-SCTDSRPQSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045981 548822777 /nfs/dbraw/zinc/82/27/77/548822777.db2.gz YPVKINDJIBBQOG-SCTDSRPQSA-N 2 2 304.478 3.038 20 0 DGADLP COc1ccc(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[nH+]c1 ZINC000679068813 548825975 /nfs/dbraw/zinc/82/59/75/548825975.db2.gz PUUHVVMNFXOSEY-AWEZNQCLSA-N 2 2 315.417 3.204 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1CCCOC1 ZINC000679574387 548919421 /nfs/dbraw/zinc/91/94/21/548919421.db2.gz IAZVHEVUMPWHCB-RYQLBKOJSA-N 2 2 313.445 3.109 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679576385 548920347 /nfs/dbraw/zinc/92/03/47/548920347.db2.gz WYAJDUYNRZHRSO-CYBMUJFWSA-N 2 2 315.383 3.457 20 0 DGADLP COC1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000680332417 549030990 /nfs/dbraw/zinc/03/09/90/549030990.db2.gz FGEQLTVHACICEM-DAWZGUTISA-N 2 2 313.445 3.251 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCOCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000680885028 549120823 /nfs/dbraw/zinc/12/08/23/549120823.db2.gz JSXRHZLVFCRUOK-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCOCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000680885028 549120827 /nfs/dbraw/zinc/12/08/27/549120827.db2.gz JSXRHZLVFCRUOK-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885758 549121340 /nfs/dbraw/zinc/12/13/40/549121340.db2.gz JXUJNZGKPRTOKW-FOIQADDNSA-N 2 2 320.440 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885758 549121345 /nfs/dbraw/zinc/12/13/45/549121345.db2.gz JXUJNZGKPRTOKW-FOIQADDNSA-N 2 2 320.440 3.173 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000681750868 549250096 /nfs/dbraw/zinc/25/00/96/549250096.db2.gz HECOBPJQXKVYBE-ABHNRTSZSA-N 2 2 313.445 3.250 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000681976859 549270816 /nfs/dbraw/zinc/27/08/16/549270816.db2.gz NBEYRERHFINXAQ-RBUKOAKNSA-N 2 2 316.489 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000683009736 549413256 /nfs/dbraw/zinc/41/32/56/549413256.db2.gz RKHCNDRXWQVCDX-FQEVSTJZSA-N 2 2 321.424 3.178 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000683771559 549533995 /nfs/dbraw/zinc/53/39/95/549533995.db2.gz DOFOAJDLXVYTDA-GDBMZVCRSA-N 2 2 301.459 3.047 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CC2 ZINC000683814213 549540362 /nfs/dbraw/zinc/54/03/62/549540362.db2.gz DSCORVMZGGQBAW-GJZGRUSLSA-N 2 2 323.278 3.429 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CC2 ZINC000683814213 549540366 /nfs/dbraw/zinc/54/03/66/549540366.db2.gz DSCORVMZGGQBAW-GJZGRUSLSA-N 2 2 323.278 3.429 20 0 DGADLP COc1ccc2c(c1)CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C2 ZINC000684393951 549628239 /nfs/dbraw/zinc/62/82/39/549628239.db2.gz UOWKMOYERHDJCF-IBGZPJMESA-N 2 2 310.441 3.478 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCc4cccnc43)[nH+]c12 ZINC000684957014 549725846 /nfs/dbraw/zinc/72/58/46/549725846.db2.gz FVNZLMIMSIURCU-KRWDZBQOSA-N 2 2 306.413 3.247 20 0 DGADLP Cc1cccc(CN(CC[NH+](C)C)Cc2c[nH+]c3ccccn23)c1 ZINC000685457064 549763233 /nfs/dbraw/zinc/76/32/33/549763233.db2.gz IWXYALCNYVHIQG-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c[nH+]1 ZINC000685473118 549767293 /nfs/dbraw/zinc/76/72/93/549767293.db2.gz OQTFYOSUPQYSMF-QGZVFWFLSA-N 2 2 318.848 3.342 20 0 DGADLP Cc1nc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)no1 ZINC000685561337 549774059 /nfs/dbraw/zinc/77/40/59/549774059.db2.gz VVJGQWIYASBZBA-CQSZACIVSA-N 2 2 306.454 3.027 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000685571662 549776086 /nfs/dbraw/zinc/77/60/86/549776086.db2.gz CXUAKSCMJJTMPP-KDOFPFPSSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000685571662 549776087 /nfs/dbraw/zinc/77/60/87/549776087.db2.gz CXUAKSCMJJTMPP-KDOFPFPSSA-N 2 2 313.445 3.292 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000731678914 574556860 /nfs/dbraw/zinc/55/68/60/574556860.db2.gz SCZAEFQTVZAHMR-INIZCTEOSA-N 2 2 300.446 3.117 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000731678914 574556863 /nfs/dbraw/zinc/55/68/63/574556863.db2.gz SCZAEFQTVZAHMR-INIZCTEOSA-N 2 2 300.446 3.117 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cn3ccc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000738159226 574860056 /nfs/dbraw/zinc/86/00/56/574860056.db2.gz REDIFGQUOOVMDT-KRWDZBQOSA-N 2 2 307.401 3.041 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cn3ccc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000738159226 574860058 /nfs/dbraw/zinc/86/00/58/574860058.db2.gz REDIFGQUOOVMDT-KRWDZBQOSA-N 2 2 307.401 3.041 20 0 DGADLP Cc1nc(NCCCNc2nc(C)[nH+]c(C)c2C)c(C)c(C)[nH+]1 ZINC000746429958 575452539 /nfs/dbraw/zinc/45/25/39/575452539.db2.gz ZJHYTFBPLCFPRK-UHFFFAOYSA-N 2 2 314.437 3.031 20 0 DGADLP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453319 575453316 /nfs/dbraw/zinc/45/33/16/575453316.db2.gz GZUWLBJMHPXHDV-HZPDHXFCSA-N 2 2 320.481 3.064 20 0 DGADLP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453319 575453317 /nfs/dbraw/zinc/45/33/17/575453317.db2.gz GZUWLBJMHPXHDV-HZPDHXFCSA-N 2 2 320.481 3.064 20 0 DGADLP CC(C)c1cn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=S)n1C ZINC000747457130 575518636 /nfs/dbraw/zinc/51/86/36/575518636.db2.gz ODFKDESNHLWGOJ-CQSZACIVSA-N 2 2 319.478 3.171 20 0 DGADLP CC(C)c1cn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=S)n1C ZINC000747457130 575518640 /nfs/dbraw/zinc/51/86/40/575518640.db2.gz ODFKDESNHLWGOJ-CQSZACIVSA-N 2 2 319.478 3.171 20 0 DGADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c(C)s1 ZINC000749588268 575666178 /nfs/dbraw/zinc/66/61/78/575666178.db2.gz JSKRERXHEVLCGI-NSHDSACASA-N 2 2 313.430 3.191 20 0 DGADLP C[C@@H](COc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000728782441 576201792 /nfs/dbraw/zinc/20/17/92/576201792.db2.gz OSZXGASZTUZUNG-INIZCTEOSA-N 2 2 307.397 3.429 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C3([NH3+])CC4(CCC4)C3)c2)[nH+]c1C ZINC000852862374 620653050 /nfs/dbraw/zinc/65/30/50/620653050.db2.gz BWRBWMFUNRZOTH-UHFFFAOYSA-N 2 2 324.428 3.294 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)n1 ZINC000891823157 617906072 /nfs/dbraw/zinc/90/60/72/617906072.db2.gz LDNPMYONIGSXRE-GOSISDBHSA-N 2 2 318.509 3.155 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)n1 ZINC000891823157 617906073 /nfs/dbraw/zinc/90/60/73/617906073.db2.gz LDNPMYONIGSXRE-GOSISDBHSA-N 2 2 318.509 3.155 20 0 DGADLP CCc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(CC)[nH+]1 ZINC000891912609 617925607 /nfs/dbraw/zinc/92/56/07/617925607.db2.gz HUZBKIAUKRVWRC-UHFFFAOYSA-N 2 2 304.482 3.158 20 0 DGADLP CCc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(CC)[nH+]1 ZINC000891912609 617925611 /nfs/dbraw/zinc/92/56/11/617925611.db2.gz HUZBKIAUKRVWRC-UHFFFAOYSA-N 2 2 304.482 3.158 20 0 DGADLP c1[nH+]cn2ccnc(NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c12 ZINC000892078335 617957865 /nfs/dbraw/zinc/95/78/65/617957865.db2.gz KSJSFSSYAPQSTC-KRWDZBQOSA-N 2 2 321.428 3.053 20 0 DGADLP c1[nH+]cn2ccnc(NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000892078335 617957869 /nfs/dbraw/zinc/95/78/69/617957869.db2.gz KSJSFSSYAPQSTC-KRWDZBQOSA-N 2 2 321.428 3.053 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104956 617963425 /nfs/dbraw/zinc/96/34/25/617963425.db2.gz VTCKEDXTEXBSHE-WBVHZDCISA-N 2 2 301.478 3.265 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104956 617963430 /nfs/dbraw/zinc/96/34/30/617963430.db2.gz VTCKEDXTEXBSHE-WBVHZDCISA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104956 617963431 /nfs/dbraw/zinc/96/34/31/617963431.db2.gz VTCKEDXTEXBSHE-WBVHZDCISA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104956 617963433 /nfs/dbraw/zinc/96/34/33/617963433.db2.gz VTCKEDXTEXBSHE-WBVHZDCISA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C)(O)CC1)c1ccccc1 ZINC000892422377 618063412 /nfs/dbraw/zinc/06/34/12/618063412.db2.gz ZQBLXWYSCKBTJH-JLAWEPINSA-N 2 2 304.478 3.353 20 0 DGADLP Clc1cc(Br)cc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000892440839 618066785 /nfs/dbraw/zinc/06/67/85/618066785.db2.gz HPCJPPFYPUONTD-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP CCc1onc(C)c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000892509617 618089563 /nfs/dbraw/zinc/08/95/63/618089563.db2.gz IREBSJPDTRADEE-UHFFFAOYSA-N 2 2 313.445 3.083 20 0 DGADLP CCc1onc(C)c1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000892509617 618089567 /nfs/dbraw/zinc/08/95/67/618089567.db2.gz IREBSJPDTRADEE-UHFFFAOYSA-N 2 2 313.445 3.083 20 0 DGADLP CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000892527361 618099188 /nfs/dbraw/zinc/09/91/88/618099188.db2.gz NWPOJXWTTCXSCS-UHFFFAOYSA-N 2 2 311.385 3.213 20 0 DGADLP C[C@H]1C[C@H](Nc2nccn3c[nH+]cc23)CC[N@@H+]1Cc1ccccc1 ZINC000892848044 618327181 /nfs/dbraw/zinc/32/71/81/618327181.db2.gz QUUWNVKDKICFPW-DOTOQJQBSA-N 2 2 321.428 3.194 20 0 DGADLP C[C@H]1C[C@H](Nc2nccn3c[nH+]cc23)CC[N@H+]1Cc1ccccc1 ZINC000892848044 618327187 /nfs/dbraw/zinc/32/71/87/618327187.db2.gz QUUWNVKDKICFPW-DOTOQJQBSA-N 2 2 321.428 3.194 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000892870168 618333116 /nfs/dbraw/zinc/33/31/16/618333116.db2.gz DHONCPFJSIZFSV-OCCSQVGLSA-N 2 2 312.255 3.037 20 0 DGADLP Cc1cc(F)ncc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893081346 618416661 /nfs/dbraw/zinc/41/66/61/618416661.db2.gz WYCANJYKUKUAOY-QGZVFWFLSA-N 2 2 324.403 3.336 20 0 DGADLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000893079232 618416716 /nfs/dbraw/zinc/41/67/16/618416716.db2.gz HSUUTBUHRZRROX-MRXNPFEDSA-N 2 2 311.385 3.095 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccsc1 ZINC000925525470 618464701 /nfs/dbraw/zinc/46/47/01/618464701.db2.gz BFOZIWQARDKCGS-RCCFBDPRSA-N 2 2 321.534 3.109 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530163 618475255 /nfs/dbraw/zinc/47/52/55/618475255.db2.gz OLHHDUWOOZESLM-CEXWTWQISA-N 3 2 319.537 3.150 20 0 DGADLP Cc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000895135874 618548795 /nfs/dbraw/zinc/54/87/95/618548795.db2.gz ASVCAXSNSINBCY-OAHLLOKOSA-N 2 2 323.444 3.163 20 0 DGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780078 618617704 /nfs/dbraw/zinc/61/77/04/618617704.db2.gz RSQYXUKATHXALQ-GHMZBOCLSA-N 2 2 318.795 3.244 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925792373 618620977 /nfs/dbraw/zinc/62/09/77/618620977.db2.gz GLSVBIDQTSQZTC-CJNGLKHVSA-N 2 2 308.853 3.149 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000894080652 618707092 /nfs/dbraw/zinc/70/70/92/618707092.db2.gz MOUSBFPOVYTQHF-UHFFFAOYSA-N 2 2 316.401 3.425 20 0 DGADLP c1cc2c(c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n1)CCCC2 ZINC000894112900 618713270 /nfs/dbraw/zinc/71/32/70/618713270.db2.gz KWUQBKVQRFVJQK-QGZVFWFLSA-N 2 2 309.413 3.009 20 0 DGADLP c1cc2c(c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n1)CCCC2 ZINC000894112900 618713271 /nfs/dbraw/zinc/71/32/71/618713271.db2.gz KWUQBKVQRFVJQK-QGZVFWFLSA-N 2 2 309.413 3.009 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000895381547 618776630 /nfs/dbraw/zinc/77/66/30/618776630.db2.gz UPZKUZROKDVOOE-GOEBONIOSA-N 2 2 301.434 3.380 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000895381547 618776632 /nfs/dbraw/zinc/77/66/32/618776632.db2.gz UPZKUZROKDVOOE-GOEBONIOSA-N 2 2 301.434 3.380 20 0 DGADLP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnc1Cl ZINC000895556524 618798483 /nfs/dbraw/zinc/79/84/83/618798483.db2.gz JKLZEGCLRXTPBZ-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnc1Cl ZINC000895556524 618798485 /nfs/dbraw/zinc/79/84/85/618798485.db2.gz JKLZEGCLRXTPBZ-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000895827272 618834499 /nfs/dbraw/zinc/83/44/99/618834499.db2.gz JEYCSCHJIVAFGS-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP Cn1c2ccccc2[nH+]c1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000895893673 618846741 /nfs/dbraw/zinc/84/67/41/618846741.db2.gz ZBBKCFQOROPIAD-HNNXBMFYSA-N 2 2 309.417 3.073 20 0 DGADLP C[C@H]1Cc2cc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)ccc2O1 ZINC000896025626 618862391 /nfs/dbraw/zinc/86/23/91/618862391.db2.gz NVCYTBAJAHWIJN-HNNXBMFYSA-N 2 2 300.446 3.070 20 0 DGADLP CO[C@H](C[NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CCCCC1 ZINC000896716599 618949850 /nfs/dbraw/zinc/94/98/50/618949850.db2.gz KBKIRGNXFHEYOA-RTBURBONSA-N 2 2 319.493 3.259 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccnn1CC1CCC1 ZINC000925167313 619063816 /nfs/dbraw/zinc/06/38/16/619063816.db2.gz BSKBNHJUQIORRZ-GOEBONIOSA-N 2 2 313.449 3.108 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925292455 619144606 /nfs/dbraw/zinc/14/46/06/619144606.db2.gz LXPFJYQFORVQGT-FDPIWHGQSA-N 2 2 320.452 3.244 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925292455 619144608 /nfs/dbraw/zinc/14/46/08/619144608.db2.gz LXPFJYQFORVQGT-FDPIWHGQSA-N 2 2 320.452 3.244 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000897955452 619198477 /nfs/dbraw/zinc/19/84/77/619198477.db2.gz UWYAGSSUXUKAOG-CDHQVMDDSA-N 2 2 313.489 3.500 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)O1 ZINC000926904663 619246639 /nfs/dbraw/zinc/24/66/39/619246639.db2.gz IAJYQJXOKMNSNK-KBXIAJHMSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)O1 ZINC000926904663 619246641 /nfs/dbraw/zinc/24/66/41/619246641.db2.gz IAJYQJXOKMNSNK-KBXIAJHMSA-N 2 2 320.399 3.093 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000926960107 619252648 /nfs/dbraw/zinc/25/26/48/619252648.db2.gz MAYDGGFQPJSAPG-QWRGUYRKSA-N 2 2 324.412 3.384 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000924720731 619266028 /nfs/dbraw/zinc/26/60/28/619266028.db2.gz BITIMGCJSMLLEP-NSHDSACASA-N 2 2 311.389 3.031 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000902436136 619635875 /nfs/dbraw/zinc/63/58/75/619635875.db2.gz XKKQDSRMBRWUEJ-GIPAHHNCSA-N 2 2 307.441 3.322 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902465732 619641601 /nfs/dbraw/zinc/64/16/01/619641601.db2.gz IUKMBNLLYCCJTN-CBBWQLFWSA-N 2 2 321.262 3.227 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467878 619642046 /nfs/dbraw/zinc/64/20/46/619642046.db2.gz QTQIRUNVGIEETO-LBTBCDHLSA-N 2 2 315.461 3.010 20 0 DGADLP COCCC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000902483040 619645577 /nfs/dbraw/zinc/64/55/77/619645577.db2.gz ORJKVQHOFVUONR-MSOLQXFVSA-N 2 2 308.441 3.415 20 0 DGADLP CC(C)C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCOCC1 ZINC000902742459 619668939 /nfs/dbraw/zinc/66/89/39/619668939.db2.gz QHTLOWIMIVLNAJ-SFHVURJKSA-N 2 2 319.493 3.193 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000902754925 619670762 /nfs/dbraw/zinc/67/07/62/619670762.db2.gz IZWBDLFGOOVBFD-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902808283 619676327 /nfs/dbraw/zinc/67/63/27/619676327.db2.gz HOYMUKNEALGUKV-YOEHRIQHSA-N 2 2 301.434 3.320 20 0 DGADLP CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902800126 619678612 /nfs/dbraw/zinc/67/86/12/619678612.db2.gz JTJNSRNXYGDRAU-KSSFIOAISA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902826176 619679935 /nfs/dbraw/zinc/67/99/35/619679935.db2.gz DBXJAMXOPHVHBF-MRXNPFEDSA-N 2 2 313.445 3.466 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902828081 619680458 /nfs/dbraw/zinc/68/04/58/619680458.db2.gz VSADIOUQSKKXKI-ZMSDIMECSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000902843699 619683462 /nfs/dbraw/zinc/68/34/62/619683462.db2.gz XDKLCDRRGQKYFW-WQANXHIZSA-N 2 2 311.429 3.481 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000902962174 619698117 /nfs/dbraw/zinc/69/81/17/619698117.db2.gz DMDXBYYFJPZQMH-DHSIGJKJSA-N 2 2 311.429 3.120 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cn1 ZINC000903010938 619704538 /nfs/dbraw/zinc/70/45/38/619704538.db2.gz UABFOMOBNCJZRE-HLVVYCRESA-N 2 2 313.367 3.376 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cn1 ZINC000903010938 619704539 /nfs/dbraw/zinc/70/45/39/619704539.db2.gz UABFOMOBNCJZRE-HLVVYCRESA-N 2 2 313.367 3.376 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063622 619709236 /nfs/dbraw/zinc/70/92/36/619709236.db2.gz GSYSJMIZQMSPKM-DOTOQJQBSA-N 2 2 301.434 3.320 20 0 DGADLP COCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C)o1 ZINC000903147926 619728846 /nfs/dbraw/zinc/72/88/46/619728846.db2.gz UWMMJAICMIUTQB-NXCDMZCRSA-N 2 2 318.461 3.413 20 0 DGADLP COCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C)o1 ZINC000903147926 619728847 /nfs/dbraw/zinc/72/88/47/619728847.db2.gz UWMMJAICMIUTQB-NXCDMZCRSA-N 2 2 318.461 3.413 20 0 DGADLP CO[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000903177523 619730497 /nfs/dbraw/zinc/73/04/97/619730497.db2.gz ONTCKQDCCMDMIH-ZBFHGGJFSA-N 2 2 305.809 3.183 20 0 DGADLP C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903259806 619746876 /nfs/dbraw/zinc/74/68/76/619746876.db2.gz QBJCHXAMWWMELN-OAHLLOKOSA-N 2 2 311.429 3.218 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000903384688 619769672 /nfs/dbraw/zinc/76/96/72/619769672.db2.gz SQSAWLBSWBAYIU-CVEARBPZSA-N 2 2 305.466 3.010 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000903821396 619819213 /nfs/dbraw/zinc/81/92/13/619819213.db2.gz JPQUCKGPPFKGCM-HZPDHXFCSA-N 2 2 317.230 3.163 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960066 619839862 /nfs/dbraw/zinc/83/98/62/619839862.db2.gz WHLCHTDKBHUYDG-LJQANCHMSA-N 2 2 310.445 3.042 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960066 619839863 /nfs/dbraw/zinc/83/98/63/619839863.db2.gz WHLCHTDKBHUYDG-LJQANCHMSA-N 2 2 310.445 3.042 20 0 DGADLP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)o1 ZINC000903955405 619846389 /nfs/dbraw/zinc/84/63/89/619846389.db2.gz QYODKQICVGQFLH-LBPRGKRZSA-N 2 2 324.346 3.420 20 0 DGADLP CCCCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955642 619846459 /nfs/dbraw/zinc/84/64/59/619846459.db2.gz YBGHXSLVAZYFCW-HNNXBMFYSA-N 2 2 312.404 3.200 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000924800290 619940362 /nfs/dbraw/zinc/94/03/62/619940362.db2.gz YTJFXOSHTAQLKN-MSOLQXFVSA-N 2 2 312.461 3.102 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000924800290 619940365 /nfs/dbraw/zinc/94/03/65/619940365.db2.gz YTJFXOSHTAQLKN-MSOLQXFVSA-N 2 2 312.461 3.102 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000905029398 619967400 /nfs/dbraw/zinc/96/74/00/619967400.db2.gz AWQQPJDFDWHIBD-FQEVSTJZSA-N 2 2 321.424 3.063 20 0 DGADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)c2cccc3ccccc32)c1 ZINC000905524193 620006306 /nfs/dbraw/zinc/00/63/06/620006306.db2.gz GEWXQRIIIXHPAM-FQEVSTJZSA-N 2 2 321.424 3.124 20 0 DGADLP CC[NH+](CC)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906448104 620098609 /nfs/dbraw/zinc/09/86/09/620098609.db2.gz RQMZDGNMDJMDDG-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]C2CCCC2)CCOCC1)c1ccccc1 ZINC000152386127 620503456 /nfs/dbraw/zinc/50/34/56/620503456.db2.gz BYLSZIURDPZFLR-INIZCTEOSA-N 2 2 302.462 3.419 20 0 DGADLP Cc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1Br ZINC000921472752 620859212 /nfs/dbraw/zinc/85/92/12/620859212.db2.gz QYXMOPCKYMYNRW-UHFFFAOYSA-N 2 2 308.223 3.134 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2O1 ZINC000921534339 620903926 /nfs/dbraw/zinc/90/39/26/620903926.db2.gz MADSZEHURAUQCL-HNNXBMFYSA-N 2 2 323.440 3.164 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C1CCC1 ZINC000921579735 620910439 /nfs/dbraw/zinc/91/04/39/620910439.db2.gz TUVNRMNJQTYENI-MRXNPFEDSA-N 2 2 301.438 3.009 20 0 DGADLP CC(C)(C)c1coc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000921579673 620910455 /nfs/dbraw/zinc/91/04/55/620910455.db2.gz SIUVUDSOCJRPIV-ZDUSSCGKSA-N 2 2 304.438 3.373 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nccc2c1CCCC2 ZINC000921576653 620911380 /nfs/dbraw/zinc/91/13/80/620911380.db2.gz HJOYZWUPHNVAPE-SFHVURJKSA-N 2 2 312.461 3.361 20 0 DGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000921580877 620911848 /nfs/dbraw/zinc/91/18/48/620911848.db2.gz WSBYVHPAEKXLQS-QGZVFWFLSA-N 2 2 301.434 3.405 20 0 DGADLP Clc1n[nH]c(C2CC2)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000921666521 620929781 /nfs/dbraw/zinc/92/97/81/620929781.db2.gz FZJWOUXIWWPHHS-UHFFFAOYSA-N 2 2 319.840 3.317 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc[nH]c(=O)c2)c(C)c1 ZINC000921920246 620968886 /nfs/dbraw/zinc/96/88/86/620968886.db2.gz JKTWAYMYIZRNDN-SFHVURJKSA-N 2 2 322.412 3.132 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCCC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000922332754 621025484 /nfs/dbraw/zinc/02/54/84/621025484.db2.gz IJUJVIUHSXGMBY-UHFFFAOYSA-N 2 2 317.477 3.345 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000922747243 621092815 /nfs/dbraw/zinc/09/28/15/621092815.db2.gz WRWMBBOWQYEHEG-INIZCTEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000922747243 621092818 /nfs/dbraw/zinc/09/28/18/621092818.db2.gz WRWMBBOWQYEHEG-INIZCTEOSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H](C)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922745053 621093993 /nfs/dbraw/zinc/09/39/93/621093993.db2.gz JVLFEVNOJXSYRR-KRWDZBQOSA-N 2 2 304.478 3.303 20 0 DGADLP CC[C@H](C)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922745053 621093995 /nfs/dbraw/zinc/09/39/95/621093995.db2.gz JVLFEVNOJXSYRR-KRWDZBQOSA-N 2 2 304.478 3.303 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922955210 621137374 /nfs/dbraw/zinc/13/73/74/621137374.db2.gz YMBHELRPEZYSON-KSSFIOAISA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922955210 621137375 /nfs/dbraw/zinc/13/73/75/621137375.db2.gz YMBHELRPEZYSON-KSSFIOAISA-N 2 2 322.880 3.114 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000858348206 621179535 /nfs/dbraw/zinc/17/95/35/621179535.db2.gz GHQJZWJTSOGHRD-KRWDZBQOSA-N 2 2 311.429 3.290 20 0 DGADLP [NH3+]CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(Cl)c1 ZINC000923427862 621183648 /nfs/dbraw/zinc/18/36/48/621183648.db2.gz KZBNCBHTRHSOBF-DODVFSASSA-N 3 2 321.896 3.021 20 0 DGADLP [NH3+]CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(Cl)c1 ZINC000923427862 621183651 /nfs/dbraw/zinc/18/36/51/621183651.db2.gz KZBNCBHTRHSOBF-DODVFSASSA-N 3 2 321.896 3.021 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518033 621191235 /nfs/dbraw/zinc/19/12/35/621191235.db2.gz JKZCPHWZVAJQLG-FPMFFAJLSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518033 621191239 /nfs/dbraw/zinc/19/12/39/621191239.db2.gz JKZCPHWZVAJQLG-FPMFFAJLSA-N 2 2 309.251 3.051 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000860029374 621357326 /nfs/dbraw/zinc/35/73/26/621357326.db2.gz DPBDUCMVOZYYJU-UHFFFAOYSA-N 2 2 320.452 3.233 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000754796333 621533423 /nfs/dbraw/zinc/53/34/23/621533423.db2.gz VPMCHTVENGCEJT-AOIWGVFYSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000754796333 621533424 /nfs/dbraw/zinc/53/34/24/621533424.db2.gz VPMCHTVENGCEJT-AOIWGVFYSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1c(F)nccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000862262555 621569673 /nfs/dbraw/zinc/56/96/73/621569673.db2.gz ACGDGOGQDCBULJ-UHFFFAOYSA-N 2 2 301.409 3.141 20 0 DGADLP Cc1c(F)nccc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000862262555 621569675 /nfs/dbraw/zinc/56/96/75/621569675.db2.gz ACGDGOGQDCBULJ-UHFFFAOYSA-N 2 2 301.409 3.141 20 0 DGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000862274690 621570368 /nfs/dbraw/zinc/57/03/68/621570368.db2.gz TUORQKKZVZQYGA-UHFFFAOYSA-N 2 2 305.466 3.426 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000806141061 621610453 /nfs/dbraw/zinc/61/04/53/621610453.db2.gz FNWZFHSSVNIOSJ-BEFAXECRSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCCCc1ccccc1 ZINC000863543115 621682473 /nfs/dbraw/zinc/68/24/73/621682473.db2.gz WAIKWTBNBKDMOD-PKOBYXMFSA-N 2 2 304.478 3.146 20 0 DGADLP Cc1ccc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000839548491 621694021 /nfs/dbraw/zinc/69/40/21/621694021.db2.gz OLDPSUPYZBRUBW-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)c(F)c1 ZINC000759851766 621896903 /nfs/dbraw/zinc/89/69/03/621896903.db2.gz IAFFKTWDRWCTJS-OAHLLOKOSA-N 2 2 323.799 3.115 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865404492 621911121 /nfs/dbraw/zinc/91/11/21/621911121.db2.gz MVOBCTHUEYNPTG-UHFFFAOYSA-N 2 2 316.367 3.391 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(CO)c1 ZINC000760158085 621918125 /nfs/dbraw/zinc/91/81/25/621918125.db2.gz UIPHXMWJLZBTTQ-YOEHRIQHSA-N 2 2 301.434 3.141 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000865448033 621923859 /nfs/dbraw/zinc/92/38/59/621923859.db2.gz YFKDVKCNOQYMHX-DLBZAZTESA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000865448033 621923860 /nfs/dbraw/zinc/92/38/60/621923860.db2.gz YFKDVKCNOQYMHX-DLBZAZTESA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]cn2)cc1 ZINC000865448033 621923862 /nfs/dbraw/zinc/92/38/62/621923862.db2.gz YFKDVKCNOQYMHX-DLBZAZTESA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]cn2)cc1 ZINC000865448033 621923865 /nfs/dbraw/zinc/92/38/65/621923865.db2.gz YFKDVKCNOQYMHX-DLBZAZTESA-N 2 2 323.444 3.127 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484429 621932786 /nfs/dbraw/zinc/93/27/86/621932786.db2.gz WYDQFGNKQHSOAO-JXFKEZNVSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484429 621932790 /nfs/dbraw/zinc/93/27/90/621932790.db2.gz WYDQFGNKQHSOAO-JXFKEZNVSA-N 2 2 324.472 3.218 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cnc12 ZINC000865620537 621963852 /nfs/dbraw/zinc/96/38/52/621963852.db2.gz YVWLORPAVMEVCA-QZTJIDSGSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cnc12 ZINC000865620537 621963853 /nfs/dbraw/zinc/96/38/53/621963853.db2.gz YVWLORPAVMEVCA-QZTJIDSGSA-N 2 2 313.420 3.480 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660671 621973160 /nfs/dbraw/zinc/97/31/60/621973160.db2.gz QKKQZVOTWHDJIN-WMZOPIPTSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660671 621973162 /nfs/dbraw/zinc/97/31/62/621973162.db2.gz QKKQZVOTWHDJIN-WMZOPIPTSA-N 2 2 324.472 3.076 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCC34CCOCC4)c2)c[nH+]1 ZINC000865777153 621993110 /nfs/dbraw/zinc/99/31/10/621993110.db2.gz CFDUOADCHGXKPE-CQSZACIVSA-N 2 2 317.458 3.230 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)CC1(C)C ZINC000865786595 621995407 /nfs/dbraw/zinc/99/54/07/621995407.db2.gz GPTNNXHMWSHLSF-GFCCVEGCSA-N 2 2 316.367 3.390 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)CC1(C)C ZINC000865786595 621995409 /nfs/dbraw/zinc/99/54/09/621995409.db2.gz GPTNNXHMWSHLSF-GFCCVEGCSA-N 2 2 316.367 3.390 20 0 DGADLP Cc1nc(N2CCC[N@H+](CC3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000761883726 622037050 /nfs/dbraw/zinc/03/70/50/622037050.db2.gz JEJLPFHCPFLBLW-UHFFFAOYSA-N 2 2 316.493 3.494 20 0 DGADLP Cc1nc(N2CCC[N@@H+](CC3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000761883726 622037052 /nfs/dbraw/zinc/03/70/52/622037052.db2.gz JEJLPFHCPFLBLW-UHFFFAOYSA-N 2 2 316.493 3.494 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000866277177 622083299 /nfs/dbraw/zinc/08/32/99/622083299.db2.gz JYIMYHQWYAJHAH-DLBZAZTESA-N 2 2 311.473 3.487 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000866277177 622083300 /nfs/dbraw/zinc/08/33/00/622083300.db2.gz JYIMYHQWYAJHAH-DLBZAZTESA-N 2 2 311.473 3.487 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000866395813 622110475 /nfs/dbraw/zinc/11/04/75/622110475.db2.gz GGGWXMQRIZPZAP-LPHOPBHVSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000866395813 622110477 /nfs/dbraw/zinc/11/04/77/622110477.db2.gz GGGWXMQRIZPZAP-LPHOPBHVSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000866402210 622112023 /nfs/dbraw/zinc/11/20/23/622112023.db2.gz IYLICCPGSHKPJH-RYRKJORJSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000866402210 622112028 /nfs/dbraw/zinc/11/20/28/622112028.db2.gz IYLICCPGSHKPJH-RYRKJORJSA-N 2 2 319.518 3.025 20 0 DGADLP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705237 622158588 /nfs/dbraw/zinc/15/85/88/622158588.db2.gz VZPQPJHTLCKTBH-CXAGYDPISA-N 2 2 308.470 3.170 20 0 DGADLP CCCCc1noc([C@@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705237 622158591 /nfs/dbraw/zinc/15/85/91/622158591.db2.gz VZPQPJHTLCKTBH-CXAGYDPISA-N 2 2 308.470 3.170 20 0 DGADLP FC(F)(F)[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000764406411 622192203 /nfs/dbraw/zinc/19/22/03/622192203.db2.gz IGSLPYLNGHFSNS-QWRGUYRKSA-N 2 2 318.305 3.145 20 0 DGADLP FC(F)(F)[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000764406411 622192205 /nfs/dbraw/zinc/19/22/05/622192205.db2.gz IGSLPYLNGHFSNS-QWRGUYRKSA-N 2 2 318.305 3.145 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000765360988 622260791 /nfs/dbraw/zinc/26/07/91/622260791.db2.gz XHVXKMYYOGOVLI-ZDUSSCGKSA-N 2 2 307.401 3.130 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000765908083 622293825 /nfs/dbraw/zinc/29/38/25/622293825.db2.gz XLBXEENZMIXJAB-AEFFLSMTSA-N 2 2 304.478 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000765908083 622293827 /nfs/dbraw/zinc/29/38/27/622293827.db2.gz XLBXEENZMIXJAB-AEFFLSMTSA-N 2 2 304.478 3.480 20 0 DGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000122357570 622300760 /nfs/dbraw/zinc/30/07/60/622300760.db2.gz PNVUQLRLVBCXSS-IBGZPJMESA-N 2 2 301.478 3.500 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000766437067 622329751 /nfs/dbraw/zinc/32/97/51/622329751.db2.gz CYSKAKRVOFFFGK-YJBOKZPZSA-N 2 2 322.518 3.043 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204179 625559187 /nfs/dbraw/zinc/55/91/87/625559187.db2.gz FKKVITCKVVNNQT-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204179 625559196 /nfs/dbraw/zinc/55/91/96/625559196.db2.gz FKKVITCKVVNNQT-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204179 625559204 /nfs/dbraw/zinc/55/92/04/625559204.db2.gz FKKVITCKVVNNQT-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204179 625559213 /nfs/dbraw/zinc/55/92/13/625559213.db2.gz FKKVITCKVVNNQT-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769402898 622525289 /nfs/dbraw/zinc/52/52/89/622525289.db2.gz ADIRARSVLBSLJZ-UHFFFAOYSA-N 2 2 322.456 3.267 20 0 DGADLP Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769402898 622525290 /nfs/dbraw/zinc/52/52/90/622525290.db2.gz ADIRARSVLBSLJZ-UHFFFAOYSA-N 2 2 322.456 3.267 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000871877396 622725946 /nfs/dbraw/zinc/72/59/46/622725946.db2.gz IDKSTWDYUDFTQM-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1F ZINC000872024316 622757802 /nfs/dbraw/zinc/75/78/02/622757802.db2.gz QBASVROYINYKOD-WFASDCNBSA-N 2 2 305.397 3.493 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000872087532 622798447 /nfs/dbraw/zinc/79/84/47/622798447.db2.gz JFFWVWASTNJFFS-SJLPKXTDSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000872087532 622798452 /nfs/dbraw/zinc/79/84/52/622798452.db2.gz JFFWVWASTNJFFS-SJLPKXTDSA-N 2 2 306.494 3.475 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3ncccc23)C[C@H]1c1ccccc1 ZINC000872142650 622831617 /nfs/dbraw/zinc/83/16/17/622831617.db2.gz CAJCZTQLGRQIGQ-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3ncccc23)C[C@H]1c1ccccc1 ZINC000872142650 622831624 /nfs/dbraw/zinc/83/16/24/622831624.db2.gz CAJCZTQLGRQIGQ-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147852 622833698 /nfs/dbraw/zinc/83/36/98/622833698.db2.gz FPAPAEPPWAVLKE-DUFXMDAXSA-N 2 2 322.321 3.485 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147852 622833701 /nfs/dbraw/zinc/83/37/01/622833701.db2.gz FPAPAEPPWAVLKE-DUFXMDAXSA-N 2 2 322.321 3.485 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150648 622834877 /nfs/dbraw/zinc/83/48/77/622834877.db2.gz YLPBCAUIRYXKJZ-UONOGXRCSA-N 2 2 315.383 3.082 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150648 622834880 /nfs/dbraw/zinc/83/48/80/622834880.db2.gz YLPBCAUIRYXKJZ-UONOGXRCSA-N 2 2 315.383 3.082 20 0 DGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158710 622840825 /nfs/dbraw/zinc/84/08/25/622840825.db2.gz XLJJBULMVUTIMP-GOEBONIOSA-N 2 2 320.481 3.313 20 0 DGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158710 622840835 /nfs/dbraw/zinc/84/08/35/622840835.db2.gz XLJJBULMVUTIMP-GOEBONIOSA-N 2 2 320.481 3.313 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773067235 622976299 /nfs/dbraw/zinc/97/62/99/622976299.db2.gz TYOMPCSJXDLSGF-ATZDWAIDSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773067235 622976304 /nfs/dbraw/zinc/97/63/04/622976304.db2.gz TYOMPCSJXDLSGF-ATZDWAIDSA-N 2 2 324.472 3.287 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000873223812 623081315 /nfs/dbraw/zinc/08/13/15/623081315.db2.gz SPNMGUBRDMJUJL-MRXNPFEDSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000873223812 623081320 /nfs/dbraw/zinc/08/13/20/623081320.db2.gz SPNMGUBRDMJUJL-MRXNPFEDSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000873223857 623081579 /nfs/dbraw/zinc/08/15/79/623081579.db2.gz TWKWWHDVBSMGLL-LJQANCHMSA-N 2 2 312.461 3.069 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000873223857 623081583 /nfs/dbraw/zinc/08/15/83/623081583.db2.gz TWKWWHDVBSMGLL-LJQANCHMSA-N 2 2 312.461 3.069 20 0 DGADLP COCCC1([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000873225368 623082140 /nfs/dbraw/zinc/08/21/40/623082140.db2.gz WYIXLWYJHYUGPW-UHFFFAOYSA-N 2 2 317.260 3.242 20 0 DGADLP FC(F)(F)COc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229731 623082667 /nfs/dbraw/zinc/08/26/67/623082667.db2.gz FFWYOYMAKRANMS-GJZGRUSLSA-N 2 2 314.351 3.002 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000774167861 623115589 /nfs/dbraw/zinc/11/55/89/623115589.db2.gz YJPANOVKTPRJDQ-JSJNYSNDSA-N 2 2 314.473 3.324 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000774167861 623115591 /nfs/dbraw/zinc/11/55/91/623115591.db2.gz YJPANOVKTPRJDQ-JSJNYSNDSA-N 2 2 314.473 3.324 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[N@@H+]1CCCC[C@H]1C ZINC000775370320 623261004 /nfs/dbraw/zinc/26/10/04/623261004.db2.gz LCTQNWLUYOWDFY-QCODTGAPSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[N@H+]1CCCC[C@H]1C ZINC000775370320 623261009 /nfs/dbraw/zinc/26/10/09/623261009.db2.gz LCTQNWLUYOWDFY-QCODTGAPSA-N 2 2 314.564 3.219 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000775621535 623297382 /nfs/dbraw/zinc/29/73/82/623297382.db2.gz LGNBIJLCXDCSNF-AWEZNQCLSA-N 2 2 324.490 3.125 20 0 DGADLP Clc1cscc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000776175101 623390726 /nfs/dbraw/zinc/39/07/26/623390726.db2.gz UWBDROIWDDTYOA-AWEZNQCLSA-N 2 2 314.882 3.135 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000776263452 623403395 /nfs/dbraw/zinc/40/33/95/623403395.db2.gz CHQXSYKTLCPIAE-HNNXBMFYSA-N 2 2 307.869 3.432 20 0 DGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCOC1 ZINC000776807182 623465882 /nfs/dbraw/zinc/46/58/82/623465882.db2.gz VKMIPDJASDBNHR-QFBILLFUSA-N 2 2 317.477 3.056 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813157 623713812 /nfs/dbraw/zinc/71/38/12/623713812.db2.gz SALYHBLPDWOMJO-IUODEOHRSA-N 2 2 319.836 3.397 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813157 623713816 /nfs/dbraw/zinc/71/38/16/623713816.db2.gz SALYHBLPDWOMJO-IUODEOHRSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813157 623713819 /nfs/dbraw/zinc/71/38/19/623713819.db2.gz SALYHBLPDWOMJO-IUODEOHRSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813157 623713824 /nfs/dbraw/zinc/71/38/24/623713824.db2.gz SALYHBLPDWOMJO-IUODEOHRSA-N 2 2 319.836 3.397 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813159 623714117 /nfs/dbraw/zinc/71/41/17/623714117.db2.gz SALYHBLPDWOMJO-WFASDCNBSA-N 2 2 319.836 3.397 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813159 623714122 /nfs/dbraw/zinc/71/41/22/623714122.db2.gz SALYHBLPDWOMJO-WFASDCNBSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813159 623714123 /nfs/dbraw/zinc/71/41/23/623714123.db2.gz SALYHBLPDWOMJO-WFASDCNBSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813159 623714126 /nfs/dbraw/zinc/71/41/26/623714126.db2.gz SALYHBLPDWOMJO-WFASDCNBSA-N 2 2 319.836 3.397 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCO2 ZINC000779065254 623726708 /nfs/dbraw/zinc/72/67/08/623726708.db2.gz MCDXRRWGWVRTRQ-IRXDYDNUSA-N 2 2 311.429 3.264 20 0 DGADLP Clc1nccc2oc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc21 ZINC000876908627 623741951 /nfs/dbraw/zinc/74/19/51/623741951.db2.gz OYWAMMFQOBPVRV-UHFFFAOYSA-N 2 2 305.809 3.198 20 0 DGADLP COc1c(C)cnc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000876956313 623753940 /nfs/dbraw/zinc/75/39/40/623753940.db2.gz JRMQGILDPHCGLF-INIZCTEOSA-N 2 2 316.449 3.108 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000877024446 623768042 /nfs/dbraw/zinc/76/80/42/623768042.db2.gz DWUPTDZPVLRDID-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000877024446 623768048 /nfs/dbraw/zinc/76/80/48/623768048.db2.gz DWUPTDZPVLRDID-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000877066256 623781964 /nfs/dbraw/zinc/78/19/64/623781964.db2.gz HVULEJDGQFNNQW-CGTJXYLNSA-N 2 2 315.461 3.355 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000877622670 623966954 /nfs/dbraw/zinc/96/69/54/623966954.db2.gz SADQRNUMJZNCFQ-CKNLXJGOSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000877622670 623966956 /nfs/dbraw/zinc/96/69/56/623966956.db2.gz SADQRNUMJZNCFQ-CKNLXJGOSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000877656566 623979815 /nfs/dbraw/zinc/97/98/15/623979815.db2.gz MAVVILRUYGYZHB-ZJTDPSCFSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000877656566 623979824 /nfs/dbraw/zinc/97/98/24/623979824.db2.gz MAVVILRUYGYZHB-ZJTDPSCFSA-N 2 2 316.426 3.316 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)c(OC)c2C)CC1 ZINC000877690878 623993546 /nfs/dbraw/zinc/99/35/46/623993546.db2.gz VWXWXEWQYAECQR-UHFFFAOYSA-N 2 2 320.477 3.318 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417060 624067966 /nfs/dbraw/zinc/06/79/66/624067966.db2.gz RNPVREOOSQULRF-UKRRQHHQSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417060 624067969 /nfs/dbraw/zinc/06/79/69/624067969.db2.gz RNPVREOOSQULRF-UKRRQHHQSA-N 2 2 307.869 3.478 20 0 DGADLP CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2C1 ZINC000878252839 624228147 /nfs/dbraw/zinc/22/81/47/624228147.db2.gz WKRBKVQSYOWNDR-CYBMUJFWSA-N 2 2 314.433 3.292 20 0 DGADLP CC1(C)CCc2onc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2C1 ZINC000878252839 624228149 /nfs/dbraw/zinc/22/81/49/624228149.db2.gz WKRBKVQSYOWNDR-CYBMUJFWSA-N 2 2 314.433 3.292 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258849 624228611 /nfs/dbraw/zinc/22/86/11/624228611.db2.gz VWBLSUKRGQDFFW-RISCZKNCSA-N 2 2 304.356 3.461 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258849 624228614 /nfs/dbraw/zinc/22/86/14/624228614.db2.gz VWBLSUKRGQDFFW-RISCZKNCSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258849 624228617 /nfs/dbraw/zinc/22/86/17/624228617.db2.gz VWBLSUKRGQDFFW-RISCZKNCSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258849 624228621 /nfs/dbraw/zinc/22/86/21/624228621.db2.gz VWBLSUKRGQDFFW-RISCZKNCSA-N 2 2 304.356 3.461 20 0 DGADLP FC(F)(F)OCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000878402044 624267994 /nfs/dbraw/zinc/26/79/94/624267994.db2.gz BQKRMTWCJGLEGX-UHFFFAOYSA-N 2 2 319.371 3.302 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782755860 624280277 /nfs/dbraw/zinc/28/02/77/624280277.db2.gz BHMJYBRRMJZKOU-OALUTQOASA-N 2 2 302.462 3.084 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878518869 624296735 /nfs/dbraw/zinc/29/67/35/624296735.db2.gz UKOPDGUBBGIDEW-LLVKDONJSA-N 2 2 313.323 3.412 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878518869 624296738 /nfs/dbraw/zinc/29/67/38/624296738.db2.gz UKOPDGUBBGIDEW-LLVKDONJSA-N 2 2 313.323 3.412 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878521982 624297826 /nfs/dbraw/zinc/29/78/26/624297826.db2.gz HJWCBMIUCXEFKI-IEZWGBDMSA-N 2 2 316.445 3.191 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@@H]1C ZINC000783278004 624334698 /nfs/dbraw/zinc/33/46/98/624334698.db2.gz WDHRGGAPYNEFSE-GOEBONIOSA-N 2 2 303.450 3.048 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000879203098 624450113 /nfs/dbraw/zinc/45/01/13/624450113.db2.gz YCXKJRYCUNGFKB-QGZVFWFLSA-N 2 2 322.880 3.324 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000879206076 624450986 /nfs/dbraw/zinc/45/09/86/624450986.db2.gz DTXYFEIWQWFPGB-SFHVURJKSA-N 2 2 320.452 3.200 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579444 624597406 /nfs/dbraw/zinc/59/74/06/624597406.db2.gz LOIJLWZJROTULF-IAGOWNOFSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579444 624597415 /nfs/dbraw/zinc/59/74/15/624597415.db2.gz LOIJLWZJROTULF-IAGOWNOFSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579444 624597417 /nfs/dbraw/zinc/59/74/17/624597417.db2.gz LOIJLWZJROTULF-IAGOWNOFSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579444 624597420 /nfs/dbraw/zinc/59/74/20/624597420.db2.gz LOIJLWZJROTULF-IAGOWNOFSA-N 2 2 311.429 3.176 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132070 624799166 /nfs/dbraw/zinc/79/91/66/624799166.db2.gz NDHRSWNKQIZTKA-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132070 624799174 /nfs/dbraw/zinc/79/91/74/624799174.db2.gz NDHRSWNKQIZTKA-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132070 624799177 /nfs/dbraw/zinc/79/91/77/624799177.db2.gz NDHRSWNKQIZTKA-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132070 624799181 /nfs/dbraw/zinc/79/91/81/624799181.db2.gz NDHRSWNKQIZTKA-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(Cl)n1 ZINC000880258562 624874751 /nfs/dbraw/zinc/87/47/51/624874751.db2.gz IODIJJGVWDYXJZ-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(Cl)n1 ZINC000880258562 624874753 /nfs/dbraw/zinc/87/47/53/624874753.db2.gz IODIJJGVWDYXJZ-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000880472599 624964417 /nfs/dbraw/zinc/96/44/17/624964417.db2.gz VIZZYMLOENIIAZ-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1csc(Cl)n1 ZINC000880517152 624971226 /nfs/dbraw/zinc/97/12/26/624971226.db2.gz JSTCKMMWCJSSTK-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1csc(Cl)n1 ZINC000880517152 624971228 /nfs/dbraw/zinc/97/12/28/624971228.db2.gz JSTCKMMWCJSSTK-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP c1cn(C[C@@H]([NH2+]CCCc2ccncc2)c2ccccc2)c[nH+]1 ZINC000880569193 624979253 /nfs/dbraw/zinc/97/92/53/624979253.db2.gz IFZPXKVASIPAGZ-LJQANCHMSA-N 2 2 306.413 3.242 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880568734 624979440 /nfs/dbraw/zinc/97/94/40/624979440.db2.gz DXZLXALMDKZSPB-FQEVSTJZSA-N 2 2 320.440 3.480 20 0 DGADLP COc1ccc(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880571659 624980203 /nfs/dbraw/zinc/98/02/03/624980203.db2.gz SIFVQPNZZLYFMQ-HXUWFJFHSA-N 2 2 321.424 3.465 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)c2)[nH+]c1C ZINC000787163729 624984704 /nfs/dbraw/zinc/98/47/04/624984704.db2.gz XIYDKCCAGLFVEM-QGZVFWFLSA-N 2 2 324.428 3.259 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)[nH+]c1C ZINC000787163729 624984707 /nfs/dbraw/zinc/98/47/07/624984707.db2.gz XIYDKCCAGLFVEM-QGZVFWFLSA-N 2 2 324.428 3.259 20 0 DGADLP Clc1ccc2c(n1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000788555618 625216342 /nfs/dbraw/zinc/21/63/42/625216342.db2.gz BXKBUUFLLWCCOD-OAHLLOKOSA-N 2 2 305.853 3.186 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788570275 625218711 /nfs/dbraw/zinc/21/87/11/625218711.db2.gz BIBYPSPIALIITR-MRXNPFEDSA-N 2 2 321.380 3.296 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(C)(C)C1 ZINC000788597777 625223690 /nfs/dbraw/zinc/22/36/90/625223690.db2.gz YBRUBIIIBHAUCZ-UHFFFAOYSA-N 2 2 317.477 3.438 20 0 DGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000796258626 626033092 /nfs/dbraw/zinc/03/30/92/626033092.db2.gz OXWMCFMGIRDSTA-UHFFFAOYSA-N 2 2 324.215 3.018 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253270 626624900 /nfs/dbraw/zinc/62/49/00/626624900.db2.gz NJRSSGPHCXBMCJ-QFBILLFUSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253270 626624903 /nfs/dbraw/zinc/62/49/03/626624903.db2.gz NJRSSGPHCXBMCJ-QFBILLFUSA-N 2 2 313.489 3.462 20 0 DGADLP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+]C[C@H]1CCSC1 ZINC000883345178 626655501 /nfs/dbraw/zinc/65/55/01/626655501.db2.gz UNTDPLICDNCHNL-CRAIPNDOSA-N 2 2 317.502 3.136 20 0 DGADLP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+]C[C@H]1CCSC1 ZINC000883345178 626655503 /nfs/dbraw/zinc/65/55/03/626655503.db2.gz UNTDPLICDNCHNL-CRAIPNDOSA-N 2 2 317.502 3.136 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)c2ccccc2)c[nH+]1 ZINC000883388080 626669230 /nfs/dbraw/zinc/66/92/30/626669230.db2.gz LUPMUNXEYRKQEQ-FUHWJXTLSA-N 2 2 307.401 3.015 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)c2ccccc2)c[nH+]1 ZINC000883388471 626669376 /nfs/dbraw/zinc/66/93/76/626669376.db2.gz VXQZTESMMCCVDU-ZWKOTPCHSA-N 2 2 311.429 3.316 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387828 626669605 /nfs/dbraw/zinc/66/96/05/626669605.db2.gz FYYRNDSNNQDVJY-OTWHNJEPSA-N 2 2 313.445 3.419 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C12CCC2 ZINC000883388613 626670123 /nfs/dbraw/zinc/67/01/23/626670123.db2.gz YTDRYEGIIZXIIN-OKZBNKHCSA-N 2 2 311.429 3.172 20 0 DGADLP COc1cncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000883397177 626672574 /nfs/dbraw/zinc/67/25/74/626672574.db2.gz GSDMCIATQKANAK-SFHVURJKSA-N 2 2 322.412 3.126 20 0 DGADLP CC1(C)C[C@@H](C[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])C(C)(C)O1 ZINC000883434686 626681270 /nfs/dbraw/zinc/68/12/70/626681270.db2.gz YMPRJYAGVHAZRB-DOTOQJQBSA-N 2 2 302.462 3.138 20 0 DGADLP CC1(C)C[C@@H](C[N@H+]2CCc3ccccc3[C@H]2C[NH3+])C(C)(C)O1 ZINC000883434686 626681273 /nfs/dbraw/zinc/68/12/73/626681273.db2.gz YMPRJYAGVHAZRB-DOTOQJQBSA-N 2 2 302.462 3.138 20 0 DGADLP CC[N@H+](C)[C@H](C(=O)OCCC[NH+]1CCCCC1)c1ccccc1 ZINC000800174200 626818789 /nfs/dbraw/zinc/81/87/89/626818789.db2.gz OTASAXVBWTYFPA-SFHVURJKSA-N 2 2 318.461 3.099 20 0 DGADLP CC[N@@H+](C)[C@H](C(=O)OCCC[NH+]1CCCCC1)c1ccccc1 ZINC000800174200 626818790 /nfs/dbraw/zinc/81/87/90/626818790.db2.gz OTASAXVBWTYFPA-SFHVURJKSA-N 2 2 318.461 3.099 20 0 DGADLP Fc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000809749981 626946575 /nfs/dbraw/zinc/94/65/75/626946575.db2.gz UMOIUVVEZHORLL-UHFFFAOYSA-N 2 2 302.397 3.110 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976088 626964685 /nfs/dbraw/zinc/96/46/85/626964685.db2.gz GGJGRYKWEJDKDD-GXTWGEPZSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976088 626964689 /nfs/dbraw/zinc/96/46/89/626964689.db2.gz GGJGRYKWEJDKDD-GXTWGEPZSA-N 2 2 304.459 3.007 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(C)cc(OC)c2OC)CC1 ZINC000885951634 627067934 /nfs/dbraw/zinc/06/79/34/627067934.db2.gz MLAUUUFTOMGGQI-UHFFFAOYSA-N 2 2 320.477 3.366 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C ZINC000885999896 627079795 /nfs/dbraw/zinc/07/97/95/627079795.db2.gz PHEPQLMJWAWHHF-RHSMWYFYSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C ZINC000885999896 627079797 /nfs/dbraw/zinc/07/97/97/627079797.db2.gz PHEPQLMJWAWHHF-RHSMWYFYSA-N 2 2 318.490 3.261 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000886070325 627098270 /nfs/dbraw/zinc/09/82/70/627098270.db2.gz QLBPSJQNVWUPOQ-WMZOPIPTSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000886070325 627098272 /nfs/dbraw/zinc/09/82/72/627098272.db2.gz QLBPSJQNVWUPOQ-WMZOPIPTSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ncco1 ZINC000886275616 627129317 /nfs/dbraw/zinc/12/93/17/627129317.db2.gz HBGSJNFEKSPFHC-HNNXBMFYSA-N 2 2 315.417 3.000 20 0 DGADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000886526126 627157207 /nfs/dbraw/zinc/15/72/07/627157207.db2.gz FRZUSXVUVDSION-DJIMGWMZSA-N 2 2 318.461 3.047 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000886635068 627177389 /nfs/dbraw/zinc/17/73/89/627177389.db2.gz UPYXAKOFPVSPBF-WBFXSEPVSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000886635068 627177390 /nfs/dbraw/zinc/17/73/90/627177390.db2.gz UPYXAKOFPVSPBF-WBFXSEPVSA-N 3 2 319.537 3.390 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886636028 627178197 /nfs/dbraw/zinc/17/81/97/627178197.db2.gz DXBQMWDQQUTPHJ-HFCFLWKCSA-N 3 2 307.526 3.246 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886636028 627178199 /nfs/dbraw/zinc/17/81/99/627178199.db2.gz DXBQMWDQQUTPHJ-HFCFLWKCSA-N 3 2 307.526 3.246 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3ncc(C4CC4)o3)CC2)[nH+]c1C ZINC000886664816 627183417 /nfs/dbraw/zinc/18/34/17/627183417.db2.gz YDCZHEUKBLBCJM-UHFFFAOYSA-N 2 2 300.406 3.272 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000887130536 627227677 /nfs/dbraw/zinc/22/76/77/627227677.db2.gz GGDROOKAGVCCSO-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1nc2ccccc2s1 ZINC000887130536 627227678 /nfs/dbraw/zinc/22/76/78/627227678.db2.gz GGDROOKAGVCCSO-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc[nH+]c2ccccc12 ZINC000811825181 627326419 /nfs/dbraw/zinc/32/64/19/627326419.db2.gz DVIUECKYCPCSLE-UHFFFAOYSA-N 2 2 315.380 3.158 20 0 DGADLP C[C@@H](NCC[N@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000813324584 627477602 /nfs/dbraw/zinc/47/76/02/627477602.db2.gz PAGVBGJAEMXEPV-OAHLLOKOSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000813324584 627477605 /nfs/dbraw/zinc/47/76/05/627477605.db2.gz PAGVBGJAEMXEPV-OAHLLOKOSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000925497263 627556510 /nfs/dbraw/zinc/55/65/10/627556510.db2.gz YGPDLYRPLCORDQ-VUCTXSBTSA-N 2 2 304.821 3.052 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000924528717 627644552 /nfs/dbraw/zinc/64/45/52/627644552.db2.gz QJWDITXDLIWWDW-GFCCVEGCSA-N 2 2 314.271 3.227 20 0 DGADLP C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000924549319 627647878 /nfs/dbraw/zinc/64/78/78/627647878.db2.gz HZYPDHKGKYHIBP-KRIWPVKQSA-N 2 2 311.429 3.481 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924696863 627669253 /nfs/dbraw/zinc/66/92/53/627669253.db2.gz QOBRYDKWVPODRH-WWGRRREGSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924696863 627669255 /nfs/dbraw/zinc/66/92/55/627669255.db2.gz QOBRYDKWVPODRH-WWGRRREGSA-N 2 2 305.853 3.329 20 0 DGADLP CC1(C)CC2(CC([NH2+]Cc3ccccc3-n3cc[nH+]c3)C2)CO1 ZINC000924767930 627678072 /nfs/dbraw/zinc/67/80/72/627678072.db2.gz COKSVQOECMMCNK-UHFFFAOYSA-N 2 2 311.429 3.310 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000924927747 627694065 /nfs/dbraw/zinc/69/40/65/627694065.db2.gz RIKOMRCQVXMUBH-UHFFFAOYSA-N 3 2 318.509 3.374 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)[nH+]c1 ZINC000924928520 627695000 /nfs/dbraw/zinc/69/50/00/627695000.db2.gz XKXYPQMQHRONJQ-WMZOPIPTSA-N 2 2 303.450 3.069 20 0 DGADLP OCCC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925121988 627711046 /nfs/dbraw/zinc/71/10/46/627711046.db2.gz GQDZXXRUVJTSJX-FHWLQOOXSA-N 2 2 302.462 3.107 20 0 DGADLP OCCC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925121988 627711049 /nfs/dbraw/zinc/71/10/49/627711049.db2.gz GQDZXXRUVJTSJX-FHWLQOOXSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccnnc1 ZINC000925136344 627712748 /nfs/dbraw/zinc/71/27/48/627712748.db2.gz OAYISTBVVIZIJL-JLJPHGGASA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccnnc1 ZINC000925136344 627712751 /nfs/dbraw/zinc/71/27/51/627712751.db2.gz OAYISTBVVIZIJL-JLJPHGGASA-N 2 2 316.474 3.272 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177093 627715970 /nfs/dbraw/zinc/71/59/70/627715970.db2.gz NKUDDOCRBPIQGY-WIYYLYMNSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177093 627715973 /nfs/dbraw/zinc/71/59/73/627715973.db2.gz NKUDDOCRBPIQGY-WIYYLYMNSA-N 2 2 323.484 3.309 20 0 DGADLP Cc1nc2ccccc2n1CCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925509084 627744345 /nfs/dbraw/zinc/74/43/45/627744345.db2.gz LDHUOKHDSZHQEL-QRWLVFNGSA-N 2 2 322.456 3.413 20 0 DGADLP Cc1nc2ccccc2n1CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925521785 627746516 /nfs/dbraw/zinc/74/65/16/627746516.db2.gz WNPIBNAUAQIEFE-AUUYWEPGSA-N 2 2 308.429 3.023 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000925552042 627752644 /nfs/dbraw/zinc/75/26/44/627752644.db2.gz FZLOZOJENFDGAD-FEHORTKBSA-N 2 2 312.457 3.219 20 0 DGADLP [NH3+]CCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000925605676 627761509 /nfs/dbraw/zinc/76/15/09/627761509.db2.gz FUFNPCFMCHYTDY-LJQANCHMSA-N 3 2 320.440 3.442 20 0 DGADLP CC1(C)C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925611214 627762075 /nfs/dbraw/zinc/76/20/75/627762075.db2.gz KPQHMGWREAMFGI-IKGGRYGDSA-N 2 2 319.493 3.302 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)N[C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000925621253 627764516 /nfs/dbraw/zinc/76/45/16/627764516.db2.gz GKGMMQMPJQNWTN-MOPGFXCFSA-N 2 2 324.472 3.115 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1 ZINC000925632050 627765738 /nfs/dbraw/zinc/76/57/38/627765738.db2.gz ZILIDHUBHRBUPO-QRWLVFNGSA-N 2 2 320.440 3.265 20 0 DGADLP CC1(C)[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925645165 627768808 /nfs/dbraw/zinc/76/88/08/627768808.db2.gz ODOIQLLPQGQLJM-QCPWZWHMSA-N 2 2 304.409 3.016 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1ccccc1 ZINC000925702437 627778869 /nfs/dbraw/zinc/77/88/69/627778869.db2.gz CWWRKXAPZZRMNE-JCKWVBRZSA-N 2 2 314.454 3.218 20 0 DGADLP Cc1cccc([C@@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1C ZINC000925752806 627787501 /nfs/dbraw/zinc/78/75/01/627787501.db2.gz YQZFOGHHIOCBBM-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1cccc([C@@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1C ZINC000925752806 627787503 /nfs/dbraw/zinc/78/75/03/627787503.db2.gz YQZFOGHHIOCBBM-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000925759786 627789775 /nfs/dbraw/zinc/78/97/75/627789775.db2.gz LRRFRARYZZAMNB-MJGOQNOKSA-N 3 2 315.505 3.100 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759786 627789777 /nfs/dbraw/zinc/78/97/77/627789777.db2.gz LRRFRARYZZAMNB-MJGOQNOKSA-N 3 2 315.505 3.100 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760286 627790433 /nfs/dbraw/zinc/79/04/33/627790433.db2.gz WVOQTJVENBTIDE-STQMWFEESA-N 2 2 309.207 3.165 20 0 DGADLP Cc1cc(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]c1C ZINC000925769717 627791762 /nfs/dbraw/zinc/79/17/62/627791762.db2.gz POSZTLUEDDDUTO-MJGOQNOKSA-N 2 2 309.413 3.366 20 0 DGADLP COc1ccc(F)cc1CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925773924 627792936 /nfs/dbraw/zinc/79/29/36/627792936.db2.gz IBYTZHHGJHICKT-FZKQIMNGSA-N 2 2 302.393 3.055 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C2CC2)c1 ZINC000925794381 627796466 /nfs/dbraw/zinc/79/64/66/627796466.db2.gz DZZGWOLDVIZXOV-HNAYVOBHSA-N 2 2 314.473 3.373 20 0 DGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ncccc1Cl ZINC000925814756 627798953 /nfs/dbraw/zinc/79/89/53/627798953.db2.gz PNQDHWFKYZTLSJ-GXTWGEPZSA-N 2 2 304.825 3.377 20 0 DGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ncccc1Cl ZINC000925814757 627799161 /nfs/dbraw/zinc/79/91/61/627799161.db2.gz PNQDHWFKYZTLSJ-JSGCOSHPSA-N 2 2 304.825 3.377 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc2ncccc2c1)c1ccccc1 ZINC000925815520 627800021 /nfs/dbraw/zinc/80/00/21/627800021.db2.gz XSENJXCPODMNRS-MGPUTAFESA-N 2 2 305.425 3.455 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@@H]1CCCC[NH2+]1 ZINC000925876952 627810465 /nfs/dbraw/zinc/81/04/65/627810465.db2.gz KAXQFCVGWNZPAR-HOTGVXAUSA-N 2 2 306.450 3.023 20 0 DGADLP COCC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccco1 ZINC000926114334 627845875 /nfs/dbraw/zinc/84/58/75/627845875.db2.gz DVKDJXFFLNZENG-QGZVFWFLSA-N 2 2 308.466 3.457 20 0 DGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926215956 627862773 /nfs/dbraw/zinc/86/27/73/627862773.db2.gz DHFMZTFECZAMCK-GJJHYRHESA-N 2 2 316.489 3.158 20 0 DGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926215956 627862778 /nfs/dbraw/zinc/86/27/78/627862778.db2.gz DHFMZTFECZAMCK-GJJHYRHESA-N 2 2 316.489 3.158 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469863 627900223 /nfs/dbraw/zinc/90/02/23/627900223.db2.gz HGHAFXGHDLJHGN-IMFGXOCKSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469863 627900225 /nfs/dbraw/zinc/90/02/25/627900225.db2.gz HGHAFXGHDLJHGN-IMFGXOCKSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1OCCc2sccc21 ZINC000926475825 627901151 /nfs/dbraw/zinc/90/11/51/627901151.db2.gz GECDZSCALREILC-AAJLLMFJSA-N 2 2 320.502 3.357 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1OCCc2sccc21 ZINC000926475825 627901154 /nfs/dbraw/zinc/90/11/54/627901154.db2.gz GECDZSCALREILC-AAJLLMFJSA-N 2 2 320.502 3.357 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)[C@H](C)O)CC1 ZINC000926644206 627926549 /nfs/dbraw/zinc/92/65/49/627926549.db2.gz KGKGKDQJCXLXOF-HNAYVOBHSA-N 2 2 322.468 3.348 20 0 DGADLP c1ccc2c(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000926690715 627933164 /nfs/dbraw/zinc/93/31/64/627933164.db2.gz UIDLPPHIAMETEM-WOJBJXKFSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2c(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccnc2c1 ZINC000926690715 627933165 /nfs/dbraw/zinc/93/31/65/627933165.db2.gz UIDLPPHIAMETEM-WOJBJXKFSA-N 2 2 309.457 3.384 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000817898875 627956004 /nfs/dbraw/zinc/95/60/04/627956004.db2.gz BVZZHRXJPZXYEG-HOTGVXAUSA-N 2 2 306.450 3.103 20 0 DGADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1OC(C)C ZINC000817899087 627956289 /nfs/dbraw/zinc/95/62/89/627956289.db2.gz CKZXEUAJXZBVFJ-GDBMZVCRSA-N 2 2 306.450 3.103 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817933119 627965405 /nfs/dbraw/zinc/96/54/05/627965405.db2.gz YLQQQSVYGJUNLR-XJKSGUPXSA-N 2 2 303.837 3.092 20 0 DGADLP C[C@H]1CC2(CC([NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)C2)CO1 ZINC000926863335 627965639 /nfs/dbraw/zinc/96/56/39/627965639.db2.gz KNEIWPVCCYIHKU-BARLLCKDSA-N 2 2 311.429 3.172 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817933116 627965819 /nfs/dbraw/zinc/96/58/19/627965819.db2.gz YLQQQSVYGJUNLR-CZUORRHYSA-N 2 2 303.837 3.092 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926861820 627965881 /nfs/dbraw/zinc/96/58/81/627965881.db2.gz CBOFTGSFENOGTJ-QFBILLFUSA-N 2 2 306.413 3.240 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000817962561 627976693 /nfs/dbraw/zinc/97/66/93/627976693.db2.gz KHYCHUAJBZLZOC-HOCLYGCPSA-N 2 2 300.450 3.349 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000926922382 627982121 /nfs/dbraw/zinc/98/21/21/627982121.db2.gz HOOKOKWZRLUUHN-VQTJNVASSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000926922382 627982123 /nfs/dbraw/zinc/98/21/23/627982123.db2.gz HOOKOKWZRLUUHN-VQTJNVASSA-N 2 2 309.457 3.384 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000926961924 627990936 /nfs/dbraw/zinc/99/09/36/627990936.db2.gz PVFHPNJEGOJYAN-WCQYABFASA-N 2 2 302.821 3.096 20 0 DGADLP [NH3+]CCCCCCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000818620433 628044587 /nfs/dbraw/zinc/04/45/87/628044587.db2.gz ZPUHNSXWFVLOEV-UHFFFAOYSA-N 2 2 300.328 3.359 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000818945634 628064824 /nfs/dbraw/zinc/06/48/24/628064824.db2.gz MSVARVBOHKGDPT-HXUWFJFHSA-N 2 2 321.424 3.063 20 0 DGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823413458 628558575 /nfs/dbraw/zinc/55/85/75/628558575.db2.gz GMXXWWDXFPUZOZ-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823413458 628558576 /nfs/dbraw/zinc/55/85/76/628558576.db2.gz GMXXWWDXFPUZOZ-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccncc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000824332505 628652361 /nfs/dbraw/zinc/65/23/61/628652361.db2.gz OENPRCHNNPYNJW-IBGZPJMESA-N 2 2 313.420 3.223 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccncc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332505 628652364 /nfs/dbraw/zinc/65/23/64/628652364.db2.gz OENPRCHNNPYNJW-IBGZPJMESA-N 2 2 313.420 3.223 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000824558955 628671151 /nfs/dbraw/zinc/67/11/51/628671151.db2.gz ALSHQTPDWCFDJO-FQEVSTJZSA-N 2 2 324.468 3.290 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000824558955 628671152 /nfs/dbraw/zinc/67/11/52/628671152.db2.gz ALSHQTPDWCFDJO-FQEVSTJZSA-N 2 2 324.468 3.290 20 0 DGADLP Cc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccn1 ZINC000824596396 628675290 /nfs/dbraw/zinc/67/52/90/628675290.db2.gz JCQAOWCNKJPUHE-UHFFFAOYSA-N 2 2 324.472 3.215 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000826795841 628888163 /nfs/dbraw/zinc/88/81/63/628888163.db2.gz DWUNMGMNKUEPBF-OXHPOLQJSA-N 2 2 316.489 3.302 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000826795841 628888168 /nfs/dbraw/zinc/88/81/68/628888168.db2.gz DWUNMGMNKUEPBF-OXHPOLQJSA-N 2 2 316.489 3.302 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000826795823 628888321 /nfs/dbraw/zinc/88/83/21/628888321.db2.gz DWUNMGMNKUEPBF-IHJVYAAUSA-N 2 2 316.489 3.302 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000826795823 628888326 /nfs/dbraw/zinc/88/83/26/628888326.db2.gz DWUNMGMNKUEPBF-IHJVYAAUSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826926877 628904544 /nfs/dbraw/zinc/90/45/44/628904544.db2.gz PNGIUELSVZGVKL-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826926877 628904547 /nfs/dbraw/zinc/90/45/47/628904547.db2.gz PNGIUELSVZGVKL-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cc([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC1CCOCC1 ZINC000841092797 630406635 /nfs/dbraw/zinc/40/66/35/630406635.db2.gz GUXYYHAEPHYNQU-JKSUJKDBSA-N 2 2 318.461 3.353 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000841090065 630406645 /nfs/dbraw/zinc/40/66/45/630406645.db2.gz UZZWFEFROPDVHB-CQSZACIVSA-N 2 2 324.900 3.409 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000842478168 630539995 /nfs/dbraw/zinc/53/99/95/630539995.db2.gz GHHYYARZCJZCAM-ZMSDIMECSA-N 2 2 317.477 3.055 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000842478168 630539998 /nfs/dbraw/zinc/53/99/98/630539998.db2.gz GHHYYARZCJZCAM-ZMSDIMECSA-N 2 2 317.477 3.055 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000842674347 630561500 /nfs/dbraw/zinc/56/15/00/630561500.db2.gz YAVIOKNRCRYGPE-UHFFFAOYSA-N 2 2 318.509 3.283 20 0 DGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000843050966 630608722 /nfs/dbraw/zinc/60/87/22/630608722.db2.gz COFWRIAPBRAXAF-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000843050966 630608725 /nfs/dbraw/zinc/60/87/25/630608725.db2.gz COFWRIAPBRAXAF-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@H]1c1ccccc1 ZINC000843115749 630615064 /nfs/dbraw/zinc/61/50/64/630615064.db2.gz RQAWWLDRHNRMLK-VQTJNVASSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@H]1c1ccccc1 ZINC000843115749 630615065 /nfs/dbraw/zinc/61/50/65/630615065.db2.gz RQAWWLDRHNRMLK-VQTJNVASSA-N 2 2 303.409 3.162 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)[nH+]c1C ZINC000844176500 630711438 /nfs/dbraw/zinc/71/14/38/630711438.db2.gz SFQURJNWBHLYOS-SFHVURJKSA-N 2 2 312.417 3.022 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831249 631321481 /nfs/dbraw/zinc/32/14/81/631321481.db2.gz HZXXHUFMZMPFDZ-CZUORRHYSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831249 631321484 /nfs/dbraw/zinc/32/14/84/631321484.db2.gz HZXXHUFMZMPFDZ-CZUORRHYSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000846831249 631321488 /nfs/dbraw/zinc/32/14/88/631321488.db2.gz HZXXHUFMZMPFDZ-CZUORRHYSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000846831249 631321494 /nfs/dbraw/zinc/32/14/94/631321494.db2.gz HZXXHUFMZMPFDZ-CZUORRHYSA-N 2 2 323.843 3.323 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575000 631700528 /nfs/dbraw/zinc/70/05/28/631700528.db2.gz KOHKBIDXJCTEKA-RBUKOAKNSA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575000 631700531 /nfs/dbraw/zinc/70/05/31/631700531.db2.gz KOHKBIDXJCTEKA-RBUKOAKNSA-N 2 2 318.461 3.166 20 0 DGADLP CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054393 631821541 /nfs/dbraw/zinc/82/15/41/631821541.db2.gz JDRJIMYOBGPLBN-MRXNPFEDSA-N 2 2 322.884 3.343 20 0 DGADLP CC(C)Cc1ccc([C@H](CNC(=[NH2+])NC(C)C)[NH+](C)C)cc1 ZINC000849077727 631828914 /nfs/dbraw/zinc/82/89/14/631828914.db2.gz KMIANXVRZNPGJM-KRWDZBQOSA-N 2 2 304.482 3.010 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486498 632006762 /nfs/dbraw/zinc/00/67/62/632006762.db2.gz HSNQQJVWBDYUKX-MJGOQNOKSA-N 3 2 303.494 3.321 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000850174591 632072351 /nfs/dbraw/zinc/07/23/51/632072351.db2.gz TXBXQKFLTAWTEJ-HUUCEWRRSA-N 2 2 306.425 3.329 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C(C)(C)C(F)F)CC2)cc1 ZINC000793255930 661018606 /nfs/dbraw/zinc/01/86/06/661018606.db2.gz VWMYUMAZYLQWBK-UHFFFAOYSA-N 2 2 311.420 3.355 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000793290061 661021666 /nfs/dbraw/zinc/02/16/66/661021666.db2.gz RDQQNXOFZQZNEH-WMLDXEAASA-N 2 2 305.441 3.353 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)c(C)[nH+]1 ZINC001025025540 655957188 /nfs/dbraw/zinc/95/71/88/655957188.db2.gz BXNZVBUWNDGVHW-QGZVFWFLSA-N 2 2 315.461 3.001 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000236600511 655995143 /nfs/dbraw/zinc/99/51/43/655995143.db2.gz YZFRASHDQALTDI-SFHVURJKSA-N 2 2 319.493 3.269 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2CF)CC1 ZINC000931328937 656210347 /nfs/dbraw/zinc/21/03/47/656210347.db2.gz HQRREFIURWTNHI-UHFFFAOYSA-N 2 2 320.452 3.233 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2ccccc2n1 ZINC000319913975 657285018 /nfs/dbraw/zinc/28/50/18/657285018.db2.gz PIFAETFFDLWROA-QGZVFWFLSA-N 2 2 309.417 3.031 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000323800196 657422204 /nfs/dbraw/zinc/42/22/04/657422204.db2.gz KWJIENDQUFIOAM-HNNXBMFYSA-N 2 2 315.465 3.175 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000322397339 658506877 /nfs/dbraw/zinc/50/68/77/658506877.db2.gz SQGLAPVGOWLCPT-MRXNPFEDSA-N 2 2 312.461 3.397 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)nn1 ZINC000929421177 661305434 /nfs/dbraw/zinc/30/54/34/661305434.db2.gz GVVYFGMFICIIGV-SFHVURJKSA-N 2 2 316.493 3.037 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)nn1 ZINC000929421177 661305436 /nfs/dbraw/zinc/30/54/36/661305436.db2.gz GVVYFGMFICIIGV-SFHVURJKSA-N 2 2 316.493 3.037 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929696098 661329304 /nfs/dbraw/zinc/32/93/04/661329304.db2.gz KHROKIMKOJQZCV-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929696098 661329305 /nfs/dbraw/zinc/32/93/05/661329305.db2.gz KHROKIMKOJQZCV-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000929803432 661340157 /nfs/dbraw/zinc/34/01/57/661340157.db2.gz HYNFMCFHHXFYJQ-KBPBESRZSA-N 2 2 317.355 3.020 20 0 DGADLP CN(C)c1ncc(C[N@H+](C)CCCn2cc[nH+]c2)c2ccccc21 ZINC000930127546 661368820 /nfs/dbraw/zinc/36/88/20/661368820.db2.gz XARLEFADHHFFNH-UHFFFAOYSA-N 2 2 323.444 3.019 20 0 DGADLP CN(C)c1ncc(C[N@@H+](C)CCCn2cc[nH+]c2)c2ccccc21 ZINC000930127546 661368825 /nfs/dbraw/zinc/36/88/25/661368825.db2.gz XARLEFADHHFFNH-UHFFFAOYSA-N 2 2 323.444 3.019 20 0 DGADLP Cc1[nH]c(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(C)[nH+]1 ZINC000930566896 661411103 /nfs/dbraw/zinc/41/11/03/661411103.db2.gz BNTAWPSHDULJCX-UHFFFAOYSA-N 2 2 317.408 3.047 20 0 DGADLP CCCC[N@H+](Cc1cnnn1CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033911 661447067 /nfs/dbraw/zinc/44/70/67/661447067.db2.gz MNEYUYVBVCTHTD-UHFFFAOYSA-N 2 2 321.513 3.209 20 0 DGADLP CCCC[N@@H+](Cc1cnnn1CC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033911 661447068 /nfs/dbraw/zinc/44/70/68/661447068.db2.gz MNEYUYVBVCTHTD-UHFFFAOYSA-N 2 2 321.513 3.209 20 0 DGADLP FC(F)c1ccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931285920 661463935 /nfs/dbraw/zinc/46/39/35/661463935.db2.gz FKVFULNGGDICCG-UHFFFAOYSA-N 2 2 324.415 3.311 20 0 DGADLP FC(F)c1ccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285920 661463937 /nfs/dbraw/zinc/46/39/37/661463937.db2.gz FKVFULNGGDICCG-UHFFFAOYSA-N 2 2 324.415 3.311 20 0 DGADLP C[NH+](C)C1(C)CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000931350591 661469616 /nfs/dbraw/zinc/46/96/16/661469616.db2.gz PKYIQMFDWBUDNP-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000931516105 661484689 /nfs/dbraw/zinc/48/46/89/661484689.db2.gz HNZOYCRWMMPGOS-JXFKEZNVSA-N 2 2 323.440 3.332 20 0 DGADLP COC[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000931707747 661500175 /nfs/dbraw/zinc/50/01/75/661500175.db2.gz SKOCQEXJGHDUTG-QZTJIDSGSA-N 2 2 301.434 3.133 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719762 661502029 /nfs/dbraw/zinc/50/20/29/661502029.db2.gz NLBRDQVFNKVWLX-YRPNKDGESA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719762 661502031 /nfs/dbraw/zinc/50/20/31/661502031.db2.gz NLBRDQVFNKVWLX-YRPNKDGESA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719762 661502034 /nfs/dbraw/zinc/50/20/34/661502034.db2.gz NLBRDQVFNKVWLX-YRPNKDGESA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719762 661502036 /nfs/dbraw/zinc/50/20/36/661502036.db2.gz NLBRDQVFNKVWLX-YRPNKDGESA-N 2 2 314.473 3.465 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3c(F)cncc3F)CC2)[nH+]c1C ZINC000931749169 661504940 /nfs/dbraw/zinc/50/49/40/661504940.db2.gz RICSKAVQQWYTRD-UHFFFAOYSA-N 2 2 306.360 3.079 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932396814 661566012 /nfs/dbraw/zinc/56/60/12/661566012.db2.gz JBHIWTXMQZNMBS-UHFFFAOYSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932396814 661566015 /nfs/dbraw/zinc/56/60/15/661566015.db2.gz JBHIWTXMQZNMBS-UHFFFAOYSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933656592 661648945 /nfs/dbraw/zinc/64/89/45/661648945.db2.gz QCNFZZPLMGTKTB-IBGZPJMESA-N 2 2 309.413 3.132 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933656592 661648946 /nfs/dbraw/zinc/64/89/46/661648946.db2.gz QCNFZZPLMGTKTB-IBGZPJMESA-N 2 2 309.413 3.132 20 0 DGADLP CCC[N@H+](C[C@H](O)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185580 661685512 /nfs/dbraw/zinc/68/55/12/661685512.db2.gz MQTVNFUBICUKNI-LJQANCHMSA-N 2 2 304.478 3.134 20 0 DGADLP CCC[N@@H+](C[C@H](O)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185580 661685513 /nfs/dbraw/zinc/68/55/13/661685513.db2.gz MQTVNFUBICUKNI-LJQANCHMSA-N 2 2 304.478 3.134 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000188569510 661935084 /nfs/dbraw/zinc/93/50/84/661935084.db2.gz CLLBXXOWQBTRQO-LJQANCHMSA-N 2 2 315.461 3.004 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190853238 662047089 /nfs/dbraw/zinc/04/70/89/662047089.db2.gz MIHFPJNLOZTBHK-LLVKDONJSA-N 2 2 300.805 3.006 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190853238 662047092 /nfs/dbraw/zinc/04/70/92/662047092.db2.gz MIHFPJNLOZTBHK-LLVKDONJSA-N 2 2 300.805 3.006 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000191286993 662058461 /nfs/dbraw/zinc/05/84/61/662058461.db2.gz SYVZTFFRFZCQLO-QWRGUYRKSA-N 2 2 300.805 3.147 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958696 685220243 /nfs/dbraw/zinc/22/02/43/685220243.db2.gz KSVGLBJTXURIAL-POAQFYNOSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958696 685220246 /nfs/dbraw/zinc/22/02/46/685220246.db2.gz KSVGLBJTXURIAL-POAQFYNOSA-N 2 2 324.472 3.391 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C(C)C)[C@H](C)C2)c(C)[nH+]1 ZINC001075306502 687364773 /nfs/dbraw/zinc/36/47/73/687364773.db2.gz XJUAGTKRTKZXEO-RHSMWYFYSA-N 2 2 317.477 3.103 20 0 DGADLP CCC[NH2+][C@@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001078685702 687703418 /nfs/dbraw/zinc/70/34/18/687703418.db2.gz QJWWOLNDAWLWSW-CVEARBPZSA-N 2 2 315.461 3.047 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001576669914 1191861022 /nfs/dbraw/zinc/86/10/22/1191861022.db2.gz CAYFDQMDAKNWPM-MJGOQNOKSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001576669914 1191861023 /nfs/dbraw/zinc/86/10/23/1191861023.db2.gz CAYFDQMDAKNWPM-MJGOQNOKSA-N 3 2 303.494 3.148 20 0 DGADLP CC[C@H]1CCC[C@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001577246543 1191889740 /nfs/dbraw/zinc/88/97/40/1191889740.db2.gz GBZOBJBKUDURBR-HOTGVXAUSA-N 2 2 302.466 3.120 20 0 DGADLP CC[C@H]1CCC[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001577246545 1191890034 /nfs/dbraw/zinc/89/00/34/1191890034.db2.gz GBZOBJBKUDURBR-JKSUJKDBSA-N 2 2 302.466 3.120 20 0 DGADLP CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC(CC)(CC)C[NH3+] ZINC001577666213 1191911800 /nfs/dbraw/zinc/91/18/00/1191911800.db2.gz YHKPWVDZRANQFQ-UHFFFAOYSA-N 2 2 319.493 3.329 20 0 DGADLP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC(CC)(CC)C[NH3+] ZINC001577666213 1191911803 /nfs/dbraw/zinc/91/18/03/1191911803.db2.gz YHKPWVDZRANQFQ-UHFFFAOYSA-N 2 2 319.493 3.329 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)cc1 ZINC001578259675 1191934924 /nfs/dbraw/zinc/93/49/24/1191934924.db2.gz DWUUMPFFQQXRSK-VQTJNVASSA-N 2 2 310.441 3.184 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)cc1 ZINC001578259675 1191934926 /nfs/dbraw/zinc/93/49/26/1191934926.db2.gz DWUUMPFFQQXRSK-VQTJNVASSA-N 2 2 310.441 3.184 20 0 DGADLP CO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cs1 ZINC001578905007 1191960721 /nfs/dbraw/zinc/96/07/21/1191960721.db2.gz QLWRKFMIYQPNCJ-DOMZBBRYSA-N 2 2 323.506 3.061 20 0 DGADLP COC[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1cccc(OC)c1 ZINC001578970135 1191963735 /nfs/dbraw/zinc/96/37/35/1191963735.db2.gz LFTSJSQPTGXTHO-WBVHZDCISA-N 2 2 308.466 3.126 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1cccc(OC)c1 ZINC001578970134 1191964212 /nfs/dbraw/zinc/96/42/12/1191964212.db2.gz LFTSJSQPTGXTHO-RDJZCZTQSA-N 2 2 308.466 3.126 20 0 DGADLP COc1cccc(Sc2ccccc2C[NH2+][C@@H](C)C[NH3+])c1 ZINC001579285996 1191972310 /nfs/dbraw/zinc/97/23/10/1191972310.db2.gz WUZWXMZJEHIJHK-ZDUSSCGKSA-N 2 2 302.443 3.283 20 0 DGADLP Clc1ccc(C2C[NH+](Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001579938645 1192000062 /nfs/dbraw/zinc/00/00/62/1192000062.db2.gz VVFIRNKPFRCZAB-UHFFFAOYSA-N 2 2 319.861 3.042 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C12CCC2 ZINC001580162692 1192010832 /nfs/dbraw/zinc/01/08/32/1192010832.db2.gz DCCCCBPETABUGH-HUUCEWRRSA-N 2 2 317.433 3.309 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]C/C=C/c2ccc(F)cc2F)C[C@@H](C)O1 ZINC001620705833 1192070980 /nfs/dbraw/zinc/07/09/80/1192070980.db2.gz ZXCZIKDWHJINLP-UJOCRUBTSA-N 2 2 324.415 3.067 20 0 DGADLP CCC(CC)(CCO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001620821719 1192173120 /nfs/dbraw/zinc/17/31/20/1192173120.db2.gz HSSMPXDTJACIME-UHFFFAOYSA-N 2 2 301.434 3.151 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)OC(C)(C)C ZINC000379630439 1176800642 /nfs/dbraw/zinc/80/06/42/1176800642.db2.gz KHKYGCLGSBGGPC-UHFFFAOYSA-N 2 2 320.477 3.218 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)OC(C)(C)C ZINC000379630439 1176800658 /nfs/dbraw/zinc/80/06/58/1176800658.db2.gz KHKYGCLGSBGGPC-UHFFFAOYSA-N 2 2 320.477 3.218 20 0 DGADLP Cc1nc(N2CCC[C@H]2C[NH+](C)C)cc(C2CCCCC2)[nH+]1 ZINC001165078143 1178051668 /nfs/dbraw/zinc/05/16/68/1178051668.db2.gz UQPIFIQPDVWHIB-INIZCTEOSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)cc2)[nH+]c1C ZINC001330983168 1178104908 /nfs/dbraw/zinc/10/49/08/1178104908.db2.gz NPYXBPHUFRSVKO-ZBEGNZNMSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2)[nH+]c1C ZINC001330983985 1178106569 /nfs/dbraw/zinc/10/65/69/1178106569.db2.gz UNTQGENWRXFFEV-JKSUJKDBSA-N 2 2 312.417 3.150 20 0 DGADLP CC(C)c1cc([C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)[nH]n1 ZINC001331174679 1178149138 /nfs/dbraw/zinc/14/91/38/1178149138.db2.gz ZRERFWZLBRZOGI-OAHLLOKOSA-N 2 2 315.465 3.079 20 0 DGADLP CC(C)c1cc([C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)[nH]n1 ZINC001331174679 1178149140 /nfs/dbraw/zinc/14/91/40/1178149140.db2.gz ZRERFWZLBRZOGI-OAHLLOKOSA-N 2 2 315.465 3.079 20 0 DGADLP CC(C)c1cc([C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n[nH]1 ZINC001331174679 1178149146 /nfs/dbraw/zinc/14/91/46/1178149146.db2.gz ZRERFWZLBRZOGI-OAHLLOKOSA-N 2 2 315.465 3.079 20 0 DGADLP CC(C)c1cc([C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n[nH]1 ZINC001331174679 1178149150 /nfs/dbraw/zinc/14/91/50/1178149150.db2.gz ZRERFWZLBRZOGI-OAHLLOKOSA-N 2 2 315.465 3.079 20 0 DGADLP C[C@H]([NH2+]Cc1cnn2ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC001331924611 1178310583 /nfs/dbraw/zinc/31/05/83/1178310583.db2.gz MFPGYTSSRHHCGW-HNNXBMFYSA-N 2 2 317.396 3.371 20 0 DGADLP COc1ccc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC001331985475 1178328443 /nfs/dbraw/zinc/32/84/43/1178328443.db2.gz ZCQHUBOWTVZALS-HNNXBMFYSA-N 2 2 322.412 3.169 20 0 DGADLP CCCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001332403932 1178436971 /nfs/dbraw/zinc/43/69/71/1178436971.db2.gz BJIAXDUZHAVRRN-INIZCTEOSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCC(C)(O)CC1)c1ccccc1 ZINC001333680698 1178652225 /nfs/dbraw/zinc/65/22/25/1178652225.db2.gz VRGLDNTWXCNMCG-LSJNQWAISA-N 2 2 304.478 3.399 20 0 DGADLP C[C@@H](Nc1nccn2c[nH+]cc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001334982015 1178838291 /nfs/dbraw/zinc/83/82/91/1178838291.db2.gz JUHIFTYKRLMAMP-NVXWUHKLSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@@H](Nc1nccn2c[nH+]cc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001334982015 1178838301 /nfs/dbraw/zinc/83/83/01/1178838301.db2.gz JUHIFTYKRLMAMP-NVXWUHKLSA-N 2 2 321.428 3.052 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001341584411 1179032893 /nfs/dbraw/zinc/03/28/93/1179032893.db2.gz DWFYUHNGVIYDCE-XKQJLSEDSA-N 2 2 324.428 3.326 20 0 DGADLP CCCn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC001621046126 1192957148 /nfs/dbraw/zinc/95/71/48/1192957148.db2.gz UKUANUQGFNPROM-IBGZPJMESA-N 2 2 323.444 3.329 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[NH2+]C(C)C)cc2)[nH+]c1C ZINC001349884454 1179971324 /nfs/dbraw/zinc/97/13/24/1179971324.db2.gz DIVSPTJWTREDCP-UHFFFAOYSA-N 2 2 300.406 3.020 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)sn1 ZINC001352838658 1180408694 /nfs/dbraw/zinc/40/86/94/1180408694.db2.gz FLMJUUCLHJHHRY-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)sn1 ZINC001352838658 1180408696 /nfs/dbraw/zinc/40/86/96/1180408696.db2.gz FLMJUUCLHJHHRY-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC001353583325 1180596706 /nfs/dbraw/zinc/59/67/06/1180596706.db2.gz FKTYLHWGLUIQAL-MRXNPFEDSA-N 2 2 324.472 3.233 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001353583325 1180596710 /nfs/dbraw/zinc/59/67/10/1180596710.db2.gz FKTYLHWGLUIQAL-MRXNPFEDSA-N 2 2 324.472 3.233 20 0 DGADLP CCc1cc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)nc(C)[nH+]1 ZINC001458718299 1182550106 /nfs/dbraw/zinc/55/01/06/1182550106.db2.gz MFHUSLARNQLZMA-INIZCTEOSA-N 2 2 316.836 3.152 20 0 DGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001460318450 1182677805 /nfs/dbraw/zinc/67/78/05/1182677805.db2.gz YRLNMDRHZAJXPD-OXJNMPFZSA-N 2 2 318.505 3.434 20 0 DGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001460318450 1182677808 /nfs/dbraw/zinc/67/78/08/1182677808.db2.gz YRLNMDRHZAJXPD-OXJNMPFZSA-N 2 2 318.505 3.434 20 0 DGADLP CC(C)[C@@H](O)CC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975608 1182749373 /nfs/dbraw/zinc/74/93/73/1182749373.db2.gz RGKFBNHNUOWIPT-RDJZCZTQSA-N 2 2 307.482 3.225 20 0 DGADLP CC(C)[C@@H](O)CC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975608 1182749377 /nfs/dbraw/zinc/74/93/77/1182749377.db2.gz RGKFBNHNUOWIPT-RDJZCZTQSA-N 2 2 307.482 3.225 20 0 DGADLP COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001461142743 1182772574 /nfs/dbraw/zinc/77/25/74/1182772574.db2.gz SRBLRFWZLORMKB-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnsc2)CC1 ZINC001461205353 1182781852 /nfs/dbraw/zinc/78/18/52/1182781852.db2.gz SUOCULVQRHWMRZ-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c(C)c1 ZINC001461520683 1182822066 /nfs/dbraw/zinc/82/20/66/1182822066.db2.gz KZFNCZRFQVBUBA-KYLNKMBASA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c(C)c1 ZINC001461520683 1182822079 /nfs/dbraw/zinc/82/20/79/1182822079.db2.gz KZFNCZRFQVBUBA-KYLNKMBASA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682203 1182842821 /nfs/dbraw/zinc/84/28/21/1182842821.db2.gz NEEYOIDMWYGMJF-GOSISDBHSA-N 2 2 313.489 3.375 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682203 1182842826 /nfs/dbraw/zinc/84/28/26/1182842826.db2.gz NEEYOIDMWYGMJF-GOSISDBHSA-N 2 2 313.489 3.375 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC(C)(C)C1 ZINC001473304162 1183742094 /nfs/dbraw/zinc/74/20/94/1183742094.db2.gz IUKFOOQRUCQGLL-KRWDZBQOSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC(C)(C)C1 ZINC001473304162 1183742102 /nfs/dbraw/zinc/74/21/02/1183742102.db2.gz IUKFOOQRUCQGLL-KRWDZBQOSA-N 2 2 316.489 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001473896240 1183822705 /nfs/dbraw/zinc/82/27/05/1183822705.db2.gz AHQJSBOLRBUWCA-INIZCTEOSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC001473896240 1183822707 /nfs/dbraw/zinc/82/27/07/1183822707.db2.gz AHQJSBOLRBUWCA-INIZCTEOSA-N 2 2 305.466 3.244 20 0 DGADLP CC[C@@H](C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909296 1183825638 /nfs/dbraw/zinc/82/56/38/1183825638.db2.gz MPEWTEFZSMVVOZ-PKOBYXMFSA-N 2 2 304.478 3.127 20 0 DGADLP CC[C@@H](C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909296 1183825639 /nfs/dbraw/zinc/82/56/39/1183825639.db2.gz MPEWTEFZSMVVOZ-PKOBYXMFSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001473920339 1183826992 /nfs/dbraw/zinc/82/69/92/1183826992.db2.gz QCQJOWVPNCFEPN-QZTJIDSGSA-N 2 2 318.505 3.474 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC001473988593 1183844636 /nfs/dbraw/zinc/84/46/36/1183844636.db2.gz HLZURJJYICSZOS-AWEZNQCLSA-N 2 2 320.868 3.198 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC001473988593 1183844639 /nfs/dbraw/zinc/84/46/39/1183844639.db2.gz HLZURJJYICSZOS-AWEZNQCLSA-N 2 2 320.868 3.198 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC001473988594 1183844696 /nfs/dbraw/zinc/84/46/96/1183844696.db2.gz HLZURJJYICSZOS-CQSZACIVSA-N 2 2 320.868 3.198 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC001473988594 1183844698 /nfs/dbraw/zinc/84/46/98/1183844698.db2.gz HLZURJJYICSZOS-CQSZACIVSA-N 2 2 320.868 3.198 20 0 DGADLP CCc1cc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]n1 ZINC001473997058 1183847549 /nfs/dbraw/zinc/84/75/49/1183847549.db2.gz LFZSBVXKILMCCB-UHFFFAOYSA-N 2 2 314.477 3.220 20 0 DGADLP CCc1cc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[nH]n1 ZINC001473997058 1183847551 /nfs/dbraw/zinc/84/75/51/1183847551.db2.gz LFZSBVXKILMCCB-UHFFFAOYSA-N 2 2 314.477 3.220 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC001474010745 1183849701 /nfs/dbraw/zinc/84/97/01/1183849701.db2.gz WHGDYZYCWSIYFF-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC001474010745 1183849708 /nfs/dbraw/zinc/84/97/08/1183849708.db2.gz WHGDYZYCWSIYFF-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1nc(F)ccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474247202 1183889524 /nfs/dbraw/zinc/88/95/24/1183889524.db2.gz UUTUZOKEGONSAK-KRWDZBQOSA-N 2 2 310.376 3.257 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316602 1183903158 /nfs/dbraw/zinc/90/31/58/1183903158.db2.gz CKLBOBOAWYJFOK-WMLDXEAASA-N 2 2 307.457 3.196 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316602 1183903163 /nfs/dbraw/zinc/90/31/63/1183903163.db2.gz CKLBOBOAWYJFOK-WMLDXEAASA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316602 1183903166 /nfs/dbraw/zinc/90/31/66/1183903166.db2.gz CKLBOBOAWYJFOK-WMLDXEAASA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316602 1183903172 /nfs/dbraw/zinc/90/31/72/1183903172.db2.gz CKLBOBOAWYJFOK-WMLDXEAASA-N 2 2 307.457 3.196 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCC2(CO)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001474608582 1183948419 /nfs/dbraw/zinc/94/84/19/1183948419.db2.gz HBAHYXHWPIXIEJ-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCC2(CO)CCC2)C[N@H+]1Cc1ccccc1 ZINC001474608582 1183948423 /nfs/dbraw/zinc/94/84/23/1183948423.db2.gz HBAHYXHWPIXIEJ-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP COCC(C)(C)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001474755046 1183973472 /nfs/dbraw/zinc/97/34/72/1183973472.db2.gz LWQZNSOOCBAGNX-HNNXBMFYSA-N 2 2 307.482 3.490 20 0 DGADLP COCC(C)(C)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001474755046 1183973475 /nfs/dbraw/zinc/97/34/75/1183973475.db2.gz LWQZNSOOCBAGNX-HNNXBMFYSA-N 2 2 307.482 3.490 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)C ZINC001493308571 1184683412 /nfs/dbraw/zinc/68/34/12/1184683412.db2.gz YITHSAYXUSTXLD-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)C ZINC001493308571 1184683417 /nfs/dbraw/zinc/68/34/17/1184683417.db2.gz YITHSAYXUSTXLD-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001506010568 1186181662 /nfs/dbraw/zinc/18/16/62/1186181662.db2.gz UZVOBMCMUMGQFZ-HOTGVXAUSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001506010568 1186181667 /nfs/dbraw/zinc/18/16/67/1186181667.db2.gz UZVOBMCMUMGQFZ-HOTGVXAUSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CCCC(C)(C)C ZINC001506010570 1186182184 /nfs/dbraw/zinc/18/21/84/1186182184.db2.gz UZVOBMCMUMGQFZ-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CCCC(C)(C)C ZINC001506010570 1186182187 /nfs/dbraw/zinc/18/21/87/1186182187.db2.gz UZVOBMCMUMGQFZ-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC001549115887 1188496325 /nfs/dbraw/zinc/49/63/25/1188496325.db2.gz JUWFEZGAEPEIOQ-FZKQIMNGSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC001549115887 1188496327 /nfs/dbraw/zinc/49/63/27/1188496327.db2.gz JUWFEZGAEPEIOQ-FZKQIMNGSA-N 2 2 315.392 3.042 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC001549117664 1188496717 /nfs/dbraw/zinc/49/67/17/1188496717.db2.gz UBZLWZQAQOPSOV-PBHICJAKSA-N 2 2 307.507 3.293 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC001549117664 1188496720 /nfs/dbraw/zinc/49/67/20/1188496720.db2.gz UBZLWZQAQOPSOV-PBHICJAKSA-N 2 2 307.507 3.293 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC001550058281 1188576837 /nfs/dbraw/zinc/57/68/37/1188576837.db2.gz JYDRAEHNLOIYGN-MSOLQXFVSA-N 2 2 324.472 3.126 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC001550058281 1188576838 /nfs/dbraw/zinc/57/68/38/1188576838.db2.gz JYDRAEHNLOIYGN-MSOLQXFVSA-N 2 2 324.472 3.126 20 0 DGADLP C[NH2+][C@H](CC(C)C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001550217041 1188594937 /nfs/dbraw/zinc/59/49/37/1188594937.db2.gz AJLJDNDMORAWDF-MRXNPFEDSA-N 2 2 314.433 3.266 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C3CCC([NH3+])CC3)cc2)[nH+]c1C ZINC001550218845 1188595217 /nfs/dbraw/zinc/59/52/17/1188595217.db2.gz PQDYGQPWNDYKGQ-UHFFFAOYSA-N 2 2 312.417 3.150 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001550520206 1188618690 /nfs/dbraw/zinc/61/86/90/1188618690.db2.gz KHOHPHFAMUDKCA-SOLBZPMBSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001550520206 1188618691 /nfs/dbraw/zinc/61/86/91/1188618691.db2.gz KHOHPHFAMUDKCA-SOLBZPMBSA-N 2 2 316.493 3.053 20 0 DGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624700 1188632843 /nfs/dbraw/zinc/63/28/43/1188632843.db2.gz ZAKKBBZTZZSJTO-GDBMZVCRSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624700 1188632847 /nfs/dbraw/zinc/63/28/47/1188632847.db2.gz ZAKKBBZTZZSJTO-GDBMZVCRSA-N 2 2 311.429 3.123 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC001551400539 1188738351 /nfs/dbraw/zinc/73/83/51/1188738351.db2.gz CCRBWHSPOWMSBG-AEFFLSMTSA-N 2 2 318.367 3.045 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@]34CCC[C@H]3[NH2+]CC4)c2)[nH+]c1C ZINC001552831403 1188874686 /nfs/dbraw/zinc/87/46/86/1188874686.db2.gz NHRDMFSWNLZFDX-VQIMIIECSA-N 2 2 324.428 3.164 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001553685206 1188947396 /nfs/dbraw/zinc/94/73/96/1188947396.db2.gz DKAHCZLQRIREFC-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001553685206 1188947398 /nfs/dbraw/zinc/94/73/98/1188947398.db2.gz DKAHCZLQRIREFC-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC001553864688 1188952747 /nfs/dbraw/zinc/95/27/47/1188952747.db2.gz QRNWYNHLSYIPNX-LBPRGKRZSA-N 2 2 314.364 3.080 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC001553864688 1188952751 /nfs/dbraw/zinc/95/27/51/1188952751.db2.gz QRNWYNHLSYIPNX-LBPRGKRZSA-N 2 2 314.364 3.080 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001559528456 1189214348 /nfs/dbraw/zinc/21/43/48/1189214348.db2.gz FSDKKHXNGPRONL-MRXNPFEDSA-N 2 2 305.466 3.429 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001559777637 1189242027 /nfs/dbraw/zinc/24/20/27/1189242027.db2.gz SRFHPMJMSIHEBQ-SJLPKXTDSA-N 2 2 312.498 3.207 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001559777637 1189242029 /nfs/dbraw/zinc/24/20/29/1189242029.db2.gz SRFHPMJMSIHEBQ-SJLPKXTDSA-N 2 2 312.498 3.207 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[NH+]2C[C@H](C)C[C@@H](C)C2)C12CCCC2 ZINC001559819922 1189245717 /nfs/dbraw/zinc/24/57/17/1189245717.db2.gz DDYMFQPXUFZCQK-ZJPYXAASSA-N 2 2 308.510 3.292 20 0 DGADLP Cc1ncc(C[NH2+]CCCNc2cccc[nH+]2)n1-c1ccccc1 ZINC001560364871 1189319205 /nfs/dbraw/zinc/31/92/05/1189319205.db2.gz BGXCIFZVVZSXBX-UHFFFAOYSA-N 2 2 321.428 3.168 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001560437830 1189329869 /nfs/dbraw/zinc/32/98/69/1189329869.db2.gz BETOIQKOKFKTSO-OAHLLOKOSA-N 2 2 322.493 3.476 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001560437830 1189329872 /nfs/dbraw/zinc/32/98/72/1189329872.db2.gz BETOIQKOKFKTSO-OAHLLOKOSA-N 2 2 322.493 3.476 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001560546811 1189339698 /nfs/dbraw/zinc/33/96/98/1189339698.db2.gz JMPCLVLOASXDFA-SNVBAGLBSA-N 2 2 305.249 3.432 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(O)c(F)c2)[nH+]1 ZINC001560641824 1189353771 /nfs/dbraw/zinc/35/37/71/1189353771.db2.gz DJDUCNWAZOXZMS-OAHLLOKOSA-N 2 2 315.392 3.311 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(O)c(F)c2)[nH+]1 ZINC001560641824 1189353776 /nfs/dbraw/zinc/35/37/76/1189353776.db2.gz DJDUCNWAZOXZMS-OAHLLOKOSA-N 2 2 315.392 3.311 20 0 DGADLP COc1ccc(SCC[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001560930870 1189406673 /nfs/dbraw/zinc/40/66/73/1189406673.db2.gz QNPVISIUTAYPNU-INIZCTEOSA-N 2 2 322.518 3.497 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944257 1189408573 /nfs/dbraw/zinc/40/85/73/1189408573.db2.gz CQLGKXDMRBSGNH-CVEARBPZSA-N 2 2 312.498 3.208 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944257 1189408575 /nfs/dbraw/zinc/40/85/75/1189408575.db2.gz CQLGKXDMRBSGNH-CVEARBPZSA-N 2 2 312.498 3.208 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CCCCCF)c(C)[nH+]1 ZINC001569130095 1190633478 /nfs/dbraw/zinc/63/34/78/1190633478.db2.gz MGMWCULPMFYRHE-OAHLLOKOSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CCCCCF)c(C)[nH+]1 ZINC001569130095 1190633480 /nfs/dbraw/zinc/63/34/80/1190633480.db2.gz MGMWCULPMFYRHE-OAHLLOKOSA-N 2 2 323.456 3.197 20 0 DGADLP CC[C@H](C)C[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001570567066 1190889221 /nfs/dbraw/zinc/88/92/21/1190889221.db2.gz HQFNLRBEYYSSFW-CDEQTRAXSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001570621513 1190903420 /nfs/dbraw/zinc/90/34/20/1190903420.db2.gz MIXDBEYAAPCXNR-GJZGRUSLSA-N 2 2 305.466 3.149 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001621166899 1193811088 /nfs/dbraw/zinc/81/10/88/1193811088.db2.gz OVNIYKMDGSTKIT-SFHVURJKSA-N 2 2 319.468 3.342 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001621166899 1193811092 /nfs/dbraw/zinc/81/10/92/1193811092.db2.gz OVNIYKMDGSTKIT-SFHVURJKSA-N 2 2 319.468 3.342 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCC(F)F ZINC001621312762 1193828990 /nfs/dbraw/zinc/82/89/90/1193828990.db2.gz CIDXABNYTULDFF-UHFFFAOYSA-N 2 2 300.393 3.104 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCC(F)F ZINC001621312762 1193828991 /nfs/dbraw/zinc/82/89/91/1193828991.db2.gz CIDXABNYTULDFF-UHFFFAOYSA-N 2 2 300.393 3.104 20 0 DGADLP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570585 1193860653 /nfs/dbraw/zinc/86/06/53/1193860653.db2.gz XNFABUTXVOQNAH-UHFFFAOYSA-N 2 2 304.482 3.040 20 0 DGADLP Cn1ncc(C2CCC2)c1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570585 1193860657 /nfs/dbraw/zinc/86/06/57/1193860657.db2.gz XNFABUTXVOQNAH-UHFFFAOYSA-N 2 2 304.482 3.040 20 0 DGADLP CCc1cc(NC2CC[NH+](C3CCCC3)CC2)nc(CC)[nH+]1 ZINC001639578148 1194772296 /nfs/dbraw/zinc/77/22/96/1194772296.db2.gz WTQFZQKDWLEQOH-UHFFFAOYSA-N 2 2 302.466 3.420 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001642811428 1194941660 /nfs/dbraw/zinc/94/16/60/1194941660.db2.gz CZOQCCBGBFEWEH-FUHIMQAGSA-N 2 2 316.489 3.433 20 0 DGADLP Cc1cc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c2ccccc2n1 ZINC001644041928 1195075124 /nfs/dbraw/zinc/07/51/24/1195075124.db2.gz JZVBAYQINLMIHR-PMACEKPBSA-N 2 2 309.457 3.317 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001644207867 1195089803 /nfs/dbraw/zinc/08/98/03/1195089803.db2.gz DIHYEXQBBKDZAY-GASCZTMLSA-N 2 2 324.428 3.058 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001644551429 1195116290 /nfs/dbraw/zinc/11/62/90/1195116290.db2.gz IJHTURPVTFAJLI-KRWDZBQOSA-N 2 2 322.493 3.013 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001648741092 1195327273 /nfs/dbraw/zinc/32/72/73/1195327273.db2.gz AEVYHGDBECWOBP-UHFFFAOYSA-N 2 2 307.869 3.122 20 0 DGADLP FCCC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001650747878 1195377515 /nfs/dbraw/zinc/37/75/15/1195377515.db2.gz ANDFRNJPJUOFEL-UHFFFAOYSA-N 2 2 311.788 3.065 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)nc(C)[nH+]1 ZINC001651293123 1195439936 /nfs/dbraw/zinc/43/99/36/1195439936.db2.gz CYJDKMJURCDHFY-SFHVURJKSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)nc(C)[nH+]1 ZINC001651293123 1195439940 /nfs/dbraw/zinc/43/99/40/1195439940.db2.gz CYJDKMJURCDHFY-SFHVURJKSA-N 2 2 310.445 3.342 20 0 DGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001652361987 1195587753 /nfs/dbraw/zinc/58/77/53/1195587753.db2.gz UBSLBTWZTWDFMS-NSHGMRRFSA-N 2 2 317.521 3.217 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001652371843 1195588670 /nfs/dbraw/zinc/58/86/70/1195588670.db2.gz FRSHIOWRAAASMI-IEZWGBDMSA-N 2 2 316.489 3.336 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001652371843 1195588676 /nfs/dbraw/zinc/58/86/76/1195588676.db2.gz FRSHIOWRAAASMI-IEZWGBDMSA-N 2 2 316.489 3.336 20 0 DGADLP COc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1OC ZINC000067250318 1195613375 /nfs/dbraw/zinc/61/33/75/1195613375.db2.gz UZHSZYNCWFFOLH-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP COc1ccc(SCC[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC001653216172 1195699366 /nfs/dbraw/zinc/69/93/66/1195699366.db2.gz PKGDITHUFIELFY-HNNXBMFYSA-N 2 2 310.507 3.353 20 0 DGADLP CCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000069747528 1195817213 /nfs/dbraw/zinc/81/72/13/1195817213.db2.gz PKAPMOXVUYWQTM-UHFFFAOYSA-N 2 2 324.468 3.371 20 0 DGADLP C[C@]12C[NH+](Cc3ccncc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001654728026 1195833735 /nfs/dbraw/zinc/83/37/35/1195833735.db2.gz RDJRJGQVBREQGG-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccncc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001654728026 1195833739 /nfs/dbraw/zinc/83/37/39/1195833739.db2.gz RDJRJGQVBREQGG-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC001654728026 1195833744 /nfs/dbraw/zinc/83/37/44/1195833744.db2.gz RDJRJGQVBREQGG-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC001654728026 1195833749 /nfs/dbraw/zinc/83/37/49/1195833749.db2.gz RDJRJGQVBREQGG-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP CCC[N@H+](CCCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001655074024 1195872987 /nfs/dbraw/zinc/87/29/87/1195872987.db2.gz NUKDDJZIPRJJQR-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[N@@H+](CCCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001655074024 1195872991 /nfs/dbraw/zinc/87/29/91/1195872991.db2.gz NUKDDJZIPRJJQR-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cnc1Cl ZINC001655384643 1195910852 /nfs/dbraw/zinc/91/08/52/1195910852.db2.gz PJBBPUSWFOHFCE-CQSZACIVSA-N 2 2 306.841 3.444 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C2 ZINC001655574308 1195934245 /nfs/dbraw/zinc/93/42/45/1195934245.db2.gz JXTRRWXJGHATBM-HOCLYGCPSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C2 ZINC001655574308 1195934248 /nfs/dbraw/zinc/93/42/48/1195934248.db2.gz JXTRRWXJGHATBM-HOCLYGCPSA-N 2 2 302.462 3.015 20 0 DGADLP Cc1cn(C)nc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910534 1195976323 /nfs/dbraw/zinc/97/63/23/1195976323.db2.gz MMXDFMCPCXBLHJ-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cn(C)nc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910534 1195976327 /nfs/dbraw/zinc/97/63/27/1195976327.db2.gz MMXDFMCPCXBLHJ-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC001656039565 1195991679 /nfs/dbraw/zinc/99/16/79/1195991679.db2.gz OTWJDILRNLGTNJ-UHFFFAOYSA-N 2 2 305.249 3.051 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC001656039565 1195991684 /nfs/dbraw/zinc/99/16/84/1195991684.db2.gz OTWJDILRNLGTNJ-UHFFFAOYSA-N 2 2 305.249 3.051 20 0 DGADLP CCCc1cccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001656692135 1196062622 /nfs/dbraw/zinc/06/26/22/1196062622.db2.gz OCZAKSQJNRUGQV-CALCHBBNSA-N 2 2 304.478 3.228 20 0 DGADLP CCCc1cccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001656692135 1196062623 /nfs/dbraw/zinc/06/26/23/1196062623.db2.gz OCZAKSQJNRUGQV-CALCHBBNSA-N 2 2 304.478 3.228 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC001656823934 1196074134 /nfs/dbraw/zinc/07/41/34/1196074134.db2.gz KZODMMYWELWSIT-OAHLLOKOSA-N 2 2 323.506 3.347 20 0 DGADLP C[C@H](CC[NH2+]Cc1nccc2c1CCCC2)[NH+]1CCCCC1 ZINC001657152574 1196111461 /nfs/dbraw/zinc/11/14/61/1196111461.db2.gz HMYAHPNUOMJVMW-MRXNPFEDSA-N 2 2 301.478 3.315 20 0 DGADLP C[C@@H](CC[NH2+]Cc1nccc2c1CCCC2)[NH+]1CCCCC1 ZINC001657152573 1196111482 /nfs/dbraw/zinc/11/14/82/1196111482.db2.gz HMYAHPNUOMJVMW-INIZCTEOSA-N 2 2 301.478 3.315 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001657282162 1196126729 /nfs/dbraw/zinc/12/67/29/1196126729.db2.gz BYWWXYKIOLEYDF-IAGOWNOFSA-N 2 2 317.477 3.429 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnsc2)[C@@H]1c1cccs1 ZINC001657279533 1196126857 /nfs/dbraw/zinc/12/68/57/1196126857.db2.gz ZWACNOWMPSXRAF-UKRRQHHQSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnsc2)[C@@H]1c1cccs1 ZINC001657279533 1196126859 /nfs/dbraw/zinc/12/68/59/1196126859.db2.gz ZWACNOWMPSXRAF-UKRRQHHQSA-N 2 2 307.488 3.377 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001657321851 1196129791 /nfs/dbraw/zinc/12/97/91/1196129791.db2.gz ACQWDXXTWSQBJZ-HZPDHXFCSA-N 2 2 319.468 3.388 20 0 DGADLP Cc1cc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc2cccnc12 ZINC001657347724 1196132775 /nfs/dbraw/zinc/13/27/75/1196132775.db2.gz YECLHDZHQBGWOU-SFHVURJKSA-N 2 2 315.486 3.070 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001657511891 1196150268 /nfs/dbraw/zinc/15/02/68/1196150268.db2.gz OTHPLDFYYDGYKG-OKZBNKHCSA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001657511891 1196150271 /nfs/dbraw/zinc/15/02/71/1196150271.db2.gz OTHPLDFYYDGYKG-OKZBNKHCSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC001657818839 1196180351 /nfs/dbraw/zinc/18/03/51/1196180351.db2.gz ZAGHSOUDTAUKJZ-LSDHHAIUSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC001657818839 1196180354 /nfs/dbraw/zinc/18/03/54/1196180354.db2.gz ZAGHSOUDTAUKJZ-LSDHHAIUSA-N 2 2 312.461 3.121 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC001657917851 1196193102 /nfs/dbraw/zinc/19/31/02/1196193102.db2.gz ICWADTBBWRYOML-WMZOPIPTSA-N 2 2 316.489 3.338 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC001657917851 1196193104 /nfs/dbraw/zinc/19/31/04/1196193104.db2.gz ICWADTBBWRYOML-WMZOPIPTSA-N 2 2 316.489 3.338 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC001657917849 1196193312 /nfs/dbraw/zinc/19/33/12/1196193312.db2.gz ICWADTBBWRYOML-FUHWJXTLSA-N 2 2 316.489 3.338 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC001657917849 1196193313 /nfs/dbraw/zinc/19/33/13/1196193313.db2.gz ICWADTBBWRYOML-FUHWJXTLSA-N 2 2 316.489 3.338 20 0 DGADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2)c1 ZINC001657927294 1196195038 /nfs/dbraw/zinc/19/50/38/1196195038.db2.gz YSNOHFREOMIYAW-UHFFFAOYSA-N 2 2 323.444 3.039 20 0 DGADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2)c1 ZINC001657927294 1196195040 /nfs/dbraw/zinc/19/50/40/1196195040.db2.gz YSNOHFREOMIYAW-UHFFFAOYSA-N 2 2 323.444 3.039 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1nc2ccccc2nc1C ZINC001658010672 1196201403 /nfs/dbraw/zinc/20/14/03/1196201403.db2.gz WNCSWLKOPLRCFT-UHFFFAOYSA-N 2 2 314.477 3.492 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1nc2ccccc2nc1C ZINC001658010672 1196201416 /nfs/dbraw/zinc/20/14/16/1196201416.db2.gz WNCSWLKOPLRCFT-UHFFFAOYSA-N 2 2 314.477 3.492 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001658229748 1196228701 /nfs/dbraw/zinc/22/87/01/1196228701.db2.gz OPFJKQPMZNTOTH-UHFFFAOYSA-N 2 2 310.869 3.342 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001658229748 1196228703 /nfs/dbraw/zinc/22/87/03/1196228703.db2.gz OPFJKQPMZNTOTH-UHFFFAOYSA-N 2 2 310.869 3.342 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)o1 ZINC001658631951 1196282459 /nfs/dbraw/zinc/28/24/59/1196282459.db2.gz QXYXOYYGCBXITG-GDBMZVCRSA-N 2 2 322.449 3.009 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)o1 ZINC001658631951 1196282462 /nfs/dbraw/zinc/28/24/62/1196282462.db2.gz QXYXOYYGCBXITG-GDBMZVCRSA-N 2 2 322.449 3.009 20 0 DGADLP CNc1ccc(C)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001659415219 1196381920 /nfs/dbraw/zinc/38/19/20/1196381920.db2.gz UOSDXWFMNKAMLA-MRXNPFEDSA-N 2 2 312.461 3.225 20 0 DGADLP CNc1ccc(C)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001659415219 1196381922 /nfs/dbraw/zinc/38/19/22/1196381922.db2.gz UOSDXWFMNKAMLA-MRXNPFEDSA-N 2 2 312.461 3.225 20 0 DGADLP CCCC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCC1 ZINC001659711374 1196408140 /nfs/dbraw/zinc/40/81/40/1196408140.db2.gz SMGGADDOXSBVEI-SFHVURJKSA-N 2 2 324.509 3.353 20 0 DGADLP Fc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000075774187 1196419106 /nfs/dbraw/zinc/41/91/06/1196419106.db2.gz UDSXYVVICDAUJA-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659854902 1196421827 /nfs/dbraw/zinc/42/18/27/1196421827.db2.gz KHXKEJOVPFOQPG-SCTDSRPQSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659854902 1196421832 /nfs/dbraw/zinc/42/18/32/1196421832.db2.gz KHXKEJOVPFOQPG-SCTDSRPQSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659854901 1196421986 /nfs/dbraw/zinc/42/19/86/1196421986.db2.gz KHXKEJOVPFOQPG-LNLFQRSKSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659854901 1196421987 /nfs/dbraw/zinc/42/19/87/1196421987.db2.gz KHXKEJOVPFOQPG-LNLFQRSKSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000075810014 1196424230 /nfs/dbraw/zinc/42/42/30/1196424230.db2.gz KHPACZDDNIQHRN-APWZRJJASA-N 2 2 302.462 3.187 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)c1 ZINC001660164678 1196453747 /nfs/dbraw/zinc/45/37/47/1196453747.db2.gz OHNDMDNLCLNGRL-WMZOPIPTSA-N 2 2 319.493 3.278 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660361017 1196475089 /nfs/dbraw/zinc/47/50/89/1196475089.db2.gz ILQFVCDYBWSIDU-KDOFPFPSSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660361017 1196475092 /nfs/dbraw/zinc/47/50/92/1196475092.db2.gz ILQFVCDYBWSIDU-KDOFPFPSSA-N 2 2 308.441 3.387 20 0 DGADLP C[C@@H]1Cc2cc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)ccc2O1 ZINC001660443440 1196484576 /nfs/dbraw/zinc/48/45/76/1196484576.db2.gz NQGUSXCVOWPKDS-MRXNPFEDSA-N 2 2 314.473 3.460 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001660678478 1196511566 /nfs/dbraw/zinc/51/15/66/1196511566.db2.gz ZEZOLECMMXYRAX-CVEARBPZSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001660678478 1196511569 /nfs/dbraw/zinc/51/15/69/1196511569.db2.gz ZEZOLECMMXYRAX-CVEARBPZSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)c1cccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001660828020 1196530507 /nfs/dbraw/zinc/53/05/07/1196530507.db2.gz JMYXKAFGHXSBMZ-IAGOWNOFSA-N 2 2 304.478 3.399 20 0 DGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001660920134 1196541897 /nfs/dbraw/zinc/54/18/97/1196541897.db2.gz UICHTUZPXZXLII-MUYFXNHWSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001660920134 1196541902 /nfs/dbraw/zinc/54/19/02/1196541902.db2.gz UICHTUZPXZXLII-MUYFXNHWSA-N 2 2 308.510 3.436 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC001661083739 1196563665 /nfs/dbraw/zinc/56/36/65/1196563665.db2.gz JFRREYFAPTVNAH-UHFFFAOYSA-N 2 2 306.841 3.173 20 0 DGADLP OCC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000077451487 1196597030 /nfs/dbraw/zinc/59/70/30/1196597030.db2.gz NYYSCYRXWPSMJH-LJQANCHMSA-N 2 2 321.424 3.128 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001662867097 1196764921 /nfs/dbraw/zinc/76/49/21/1196764921.db2.gz FUUVNSKAKFTBHY-VQIMIIECSA-N 2 2 316.489 3.263 20 0 DGADLP CCO[C@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C[NH+](C)C ZINC001663246355 1196817146 /nfs/dbraw/zinc/81/71/46/1196817146.db2.gz LPSYXLPCORAKKB-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479507 1197005266 /nfs/dbraw/zinc/00/52/66/1197005266.db2.gz KUAAJOSCKYFQCT-SJORKVTESA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479507 1197005270 /nfs/dbraw/zinc/00/52/70/1197005270.db2.gz KUAAJOSCKYFQCT-SJORKVTESA-N 2 2 308.510 3.436 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC001665848573 1197206692 /nfs/dbraw/zinc/20/66/92/1197206692.db2.gz YJCUPYIOWKITLI-UHFFFAOYSA-N 2 2 303.425 3.394 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC001665848573 1197206696 /nfs/dbraw/zinc/20/66/96/1197206696.db2.gz YJCUPYIOWKITLI-UHFFFAOYSA-N 2 2 303.425 3.394 20 0 DGADLP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666933928 1197299268 /nfs/dbraw/zinc/29/92/68/1197299268.db2.gz YUAMSNMVXQPIST-AWEZNQCLSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674947380 1197930269 /nfs/dbraw/zinc/93/02/69/1197930269.db2.gz AAIMFRJBKJKJSI-AWEZNQCLSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)CCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674947380 1197930271 /nfs/dbraw/zinc/93/02/71/1197930271.db2.gz AAIMFRJBKJKJSI-AWEZNQCLSA-N 2 2 316.449 3.049 20 0 DGADLP CC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964198 1197936864 /nfs/dbraw/zinc/93/68/64/1197936864.db2.gz AQPQRZUTRZXZPY-QWGSZXSUSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C\CC[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964198 1197936867 /nfs/dbraw/zinc/93/68/67/1197936867.db2.gz AQPQRZUTRZXZPY-QWGSZXSUSA-N 2 2 317.477 3.413 20 0 DGADLP Cn1c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)nc2ccccc21 ZINC000116378845 1199797507 /nfs/dbraw/zinc/79/75/07/1199797507.db2.gz DIAVGWCCNBTKHF-MRXNPFEDSA-N 2 2 302.466 3.029 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC000319317338 1199837826 /nfs/dbraw/zinc/83/78/26/1199837826.db2.gz MJAXDLKCAPOLBY-CXAGYDPISA-N 2 2 317.458 3.272 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC000319317338 1199837830 /nfs/dbraw/zinc/83/78/30/1199837830.db2.gz MJAXDLKCAPOLBY-CXAGYDPISA-N 2 2 317.458 3.272 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]C(C)C)C2CCCC2)c(C)[nH+]1 ZINC001754653314 1200418804 /nfs/dbraw/zinc/41/88/04/1200418804.db2.gz XRKQGUATNBBEAB-QGZVFWFLSA-N 2 2 317.477 3.293 20 0 DGADLP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690348498 1200506648 /nfs/dbraw/zinc/50/66/48/1200506648.db2.gz PECCLSZIYOAJBJ-CALCHBBNSA-N 2 2 317.477 3.293 20 0 DGADLP CCCC[C@H](C[NH2+]C(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001755360431 1200842227 /nfs/dbraw/zinc/84/22/27/1200842227.db2.gz XHZBAWSZGVYOMF-MRXNPFEDSA-N 2 2 305.466 3.293 20 0 DGADLP Cc1noc(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131123869 1201120654 /nfs/dbraw/zinc/12/06/54/1201120654.db2.gz AYBZIUYJUHSNKA-AWEZNQCLSA-N 2 2 314.433 3.002 20 0 DGADLP CCCn1nc(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000133338206 1201188643 /nfs/dbraw/zinc/18/86/43/1201188643.db2.gz BCFBUCMVNZRRSX-UHFFFAOYSA-N 2 2 323.444 3.385 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000136296804 1201210900 /nfs/dbraw/zinc/21/09/00/1201210900.db2.gz BGSUDVNPJHFTOC-ZBFHGGJFSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000136296804 1201210906 /nfs/dbraw/zinc/21/09/06/1201210906.db2.gz BGSUDVNPJHFTOC-ZBFHGGJFSA-N 2 2 301.459 3.286 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001699290563 1201778732 /nfs/dbraw/zinc/77/87/32/1201778732.db2.gz UCEBJOGKRDKKCX-SREVYHEPSA-N 2 2 317.477 3.319 20 0 DGADLP CCC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H](C)CC ZINC001753145498 1202163657 /nfs/dbraw/zinc/16/36/57/1202163657.db2.gz JOJUNWZRCVPBSZ-CQSZACIVSA-N 2 2 316.449 3.051 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H](C)CC ZINC001753145498 1202163662 /nfs/dbraw/zinc/16/36/62/1202163662.db2.gz JOJUNWZRCVPBSZ-CQSZACIVSA-N 2 2 316.449 3.051 20 0 DGADLP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753481881 1202271244 /nfs/dbraw/zinc/27/12/44/1202271244.db2.gz AHPSAIMQWHQEIO-KBOKABMXSA-N 2 2 317.477 3.461 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154651542 1202597788 /nfs/dbraw/zinc/59/77/88/1202597788.db2.gz XBXZZXMHYBUYBH-DOMZBBRYSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154651542 1202597789 /nfs/dbraw/zinc/59/77/89/1202597789.db2.gz XBXZZXMHYBUYBH-DOMZBBRYSA-N 2 2 311.267 3.064 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc2cc(Br)ccc2c1 ZINC000231819398 1202600272 /nfs/dbraw/zinc/60/02/72/1202600272.db2.gz IMNIBPNMISZWPP-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc2cc(Br)ccc2c1 ZINC000231819398 1202600271 /nfs/dbraw/zinc/60/02/71/1202600271.db2.gz IMNIBPNMISZWPP-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000233504027 1202602875 /nfs/dbraw/zinc/60/28/75/1202602875.db2.gz HZDYZYGSGMTZHQ-UHFFFAOYSA-N 2 2 302.249 3.210 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3ccc(CC[NH+](C)C)cc3)n2c1 ZINC000157841499 1202603136 /nfs/dbraw/zinc/60/31/36/1202603136.db2.gz YZDDVZQAAJPNLU-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@H]1CCC[NH2+]C1 ZINC000234358061 1202603593 /nfs/dbraw/zinc/60/35/93/1202603593.db2.gz BWDAPFRMYOFDQC-NSHDSACASA-N 2 2 318.795 3.373 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@H]1CCC[NH2+]C1 ZINC000234358061 1202603594 /nfs/dbraw/zinc/60/35/94/1202603594.db2.gz BWDAPFRMYOFDQC-NSHDSACASA-N 2 2 318.795 3.373 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320267 1202604711 /nfs/dbraw/zinc/60/47/11/1202604711.db2.gz QERHJFLCNFGBKX-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320267 1202604712 /nfs/dbraw/zinc/60/47/12/1202604712.db2.gz QERHJFLCNFGBKX-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP CC[NH+](CC)[C@@H](CNCc1c[nH+]c2c(C)cccn12)CC(C)C ZINC000236852358 1202629445 /nfs/dbraw/zinc/62/94/45/1202629445.db2.gz DGRICPAXLBDNHY-QGZVFWFLSA-N 2 2 316.493 3.489 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000237027973 1202641296 /nfs/dbraw/zinc/64/12/96/1202641296.db2.gz KBSJELYQNOSNFB-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000237027973 1202641297 /nfs/dbraw/zinc/64/12/97/1202641297.db2.gz KBSJELYQNOSNFB-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000237337239 1202671239 /nfs/dbraw/zinc/67/12/39/1202671239.db2.gz QTFUMZJZPGEUJI-KRWDZBQOSA-N 2 2 317.521 3.217 20 0 DGADLP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000237337239 1202671240 /nfs/dbraw/zinc/67/12/40/1202671240.db2.gz QTFUMZJZPGEUJI-KRWDZBQOSA-N 2 2 317.521 3.217 20 0 DGADLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)(C)C ZINC001714584382 1203026024 /nfs/dbraw/zinc/02/60/24/1203026024.db2.gz HBRDFVAMEQEWGF-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)(C)C ZINC001714584382 1203026029 /nfs/dbraw/zinc/02/60/29/1203026029.db2.gz HBRDFVAMEQEWGF-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001715188299 1203292140 /nfs/dbraw/zinc/29/21/40/1203292140.db2.gz FCPYUVLYIXPIFU-BRWVUGGUSA-N 2 2 320.481 3.041 20 0 DGADLP CCCCCC[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715522168 1203360306 /nfs/dbraw/zinc/36/03/06/1203360306.db2.gz ICPFDKHHTGPLBZ-UHFFFAOYSA-N 2 2 316.449 3.147 20 0 DGADLP CCCCCC[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715522168 1203360307 /nfs/dbraw/zinc/36/03/07/1203360307.db2.gz ICPFDKHHTGPLBZ-UHFFFAOYSA-N 2 2 316.449 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763622 1203590446 /nfs/dbraw/zinc/59/04/46/1203590446.db2.gz NKEMKWOMADNREW-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763622 1203590448 /nfs/dbraw/zinc/59/04/48/1203590448.db2.gz NKEMKWOMADNREW-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP CCCCC[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725170268 1204109869 /nfs/dbraw/zinc/10/98/69/1204109869.db2.gz NZIMIXQIJGDTNI-OAHLLOKOSA-N 2 2 305.466 3.247 20 0 DGADLP CCCCC[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725170268 1204109870 /nfs/dbraw/zinc/10/98/70/1204109870.db2.gz NZIMIXQIJGDTNI-OAHLLOKOSA-N 2 2 305.466 3.247 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001725359760 1204140865 /nfs/dbraw/zinc/14/08/65/1204140865.db2.gz HQFNLRBEYYSSFW-CSMYWGQOSA-N 2 2 317.477 3.151 20 0 DGADLP CCCCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001731881197 1204622240 /nfs/dbraw/zinc/62/22/40/1204622240.db2.gz PGXVBWVWZWVNEU-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP CCCCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001731881197 1204622243 /nfs/dbraw/zinc/62/22/43/1204622243.db2.gz PGXVBWVWZWVNEU-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP CC/C=C/CC[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732350970 1204801541 /nfs/dbraw/zinc/80/15/41/1204801541.db2.gz DMRPKNBWEGMVCJ-HSBSLETESA-N 2 2 317.477 3.319 20 0 DGADLP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001732524321 1204880590 /nfs/dbraw/zinc/88/05/90/1204880590.db2.gz MGFHZUVBGSTDGN-DOTOQJQBSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760264 1081594135 /nfs/dbraw/zinc/59/41/35/1081594135.db2.gz BPQPFFQYAZGDDY-VQLXRUTCSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760264 1081594140 /nfs/dbraw/zinc/59/41/40/1081594140.db2.gz BPQPFFQYAZGDDY-VQLXRUTCSA-N 2 2 323.278 3.482 20 0 DGADLP Cc1cc[nH+]c2cc(N3CCCc4ccc(C[NH3+])nc43)ccc12 ZINC001169590730 1081600109 /nfs/dbraw/zinc/60/01/09/1081600109.db2.gz LVRJGBZJVLIXEF-UHFFFAOYSA-N 2 2 304.397 3.481 20 0 DGADLP COc1c(F)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206771370 1081629745 /nfs/dbraw/zinc/62/97/45/1081629745.db2.gz WJNYCPMDWNWDPN-WDEREUQCSA-N 2 2 300.805 3.047 20 0 DGADLP COc1c(F)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206771370 1081629748 /nfs/dbraw/zinc/62/97/48/1081629748.db2.gz WJNYCPMDWNWDPN-WDEREUQCSA-N 2 2 300.805 3.047 20 0 DGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169965029 1081685868 /nfs/dbraw/zinc/68/58/68/1081685868.db2.gz FEKLTYFSQHTRFG-GOSISDBHSA-N 2 2 322.493 3.011 20 0 DGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169965029 1081685870 /nfs/dbraw/zinc/68/58/70/1081685870.db2.gz FEKLTYFSQHTRFG-GOSISDBHSA-N 2 2 322.493 3.011 20 0 DGADLP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC(C)(C)N1O ZINC001169984655 1081782996 /nfs/dbraw/zinc/78/29/96/1081782996.db2.gz OBBSMBVEIAKOJN-OAHLLOKOSA-N 2 2 323.525 3.394 20 0 DGADLP CC1(C)CC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)N1O ZINC001169984655 1081783002 /nfs/dbraw/zinc/78/30/02/1081783002.db2.gz OBBSMBVEIAKOJN-OAHLLOKOSA-N 2 2 323.525 3.394 20 0 DGADLP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2[nH+]ccc4ccccc42)C3)cc1 ZINC001167205214 1081804879 /nfs/dbraw/zinc/80/48/79/1081804879.db2.gz GKFUFPMPXMVYAT-NQIIRXRSSA-N 2 2 315.420 3.212 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC001648895508 1081954934 /nfs/dbraw/zinc/95/49/34/1081954934.db2.gz QVGDAHUWAFULDM-UHFFFAOYSA-N 2 2 309.417 3.152 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170098431 1082088728 /nfs/dbraw/zinc/08/87/28/1082088728.db2.gz RRJJRMXRQSQPIR-YJBOKZPZSA-N 2 2 302.462 3.438 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC001170137820 1082180120 /nfs/dbraw/zinc/18/01/20/1082180120.db2.gz PCGHDHZFUQTXMN-CABCVRRESA-N 2 2 304.482 3.072 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC001170137820 1082180124 /nfs/dbraw/zinc/18/01/24/1082180124.db2.gz PCGHDHZFUQTXMN-CABCVRRESA-N 2 2 304.482 3.072 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccccc2-c2nccs2)CC1 ZINC001140449521 1082232958 /nfs/dbraw/zinc/23/29/58/1082232958.db2.gz QUEQTTQTBAVFGL-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccsc4)C[C@H]3C2)c1 ZINC001204034541 1082262488 /nfs/dbraw/zinc/26/24/88/1082262488.db2.gz GYTQUISIYXQHRT-GASCZTMLSA-N 2 2 304.484 3.373 20 0 DGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccsc4)C[C@H]3C2)c1 ZINC001204034541 1082262490 /nfs/dbraw/zinc/26/24/90/1082262490.db2.gz GYTQUISIYXQHRT-GASCZTMLSA-N 2 2 304.484 3.373 20 0 DGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccsc4)C[C@H]3C2)c1 ZINC001204034541 1082262495 /nfs/dbraw/zinc/26/24/95/1082262495.db2.gz GYTQUISIYXQHRT-GASCZTMLSA-N 2 2 304.484 3.373 20 0 DGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]3C2)c1 ZINC001204034541 1082262499 /nfs/dbraw/zinc/26/24/99/1082262499.db2.gz GYTQUISIYXQHRT-GASCZTMLSA-N 2 2 304.484 3.373 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC001170188964 1082308363 /nfs/dbraw/zinc/30/83/63/1082308363.db2.gz AGNWIVMNNSWMFN-QYZOEREBSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC001170188964 1082308370 /nfs/dbraw/zinc/30/83/70/1082308370.db2.gz AGNWIVMNNSWMFN-QYZOEREBSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001170206678 1082312133 /nfs/dbraw/zinc/31/21/33/1082312133.db2.gz ABCAGPHXLCDCMT-ZWKOTPCHSA-N 2 2 306.494 3.284 20 0 DGADLP CC[C@@H]1C[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCO1 ZINC001170206678 1082312138 /nfs/dbraw/zinc/31/21/38/1082312138.db2.gz ABCAGPHXLCDCMT-ZWKOTPCHSA-N 2 2 306.494 3.284 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001170426479 1082393354 /nfs/dbraw/zinc/39/33/54/1082393354.db2.gz SMEUUTUSYXBFLR-SJORKVTESA-N 2 2 318.461 3.056 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001170426479 1082393358 /nfs/dbraw/zinc/39/33/58/1082393358.db2.gz SMEUUTUSYXBFLR-SJORKVTESA-N 2 2 318.461 3.056 20 0 DGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483948 1082557325 /nfs/dbraw/zinc/55/73/25/1082557325.db2.gz RNFNNGQNEGVPJW-MRXNPFEDSA-N 2 2 322.497 3.043 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCC(C)(C)C)c(C)[nH+]1 ZINC001131560532 1082687509 /nfs/dbraw/zinc/68/75/09/1082687509.db2.gz RXDWPCMDXUFGRB-UHFFFAOYSA-N 2 2 305.466 3.153 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001131560193 1082687551 /nfs/dbraw/zinc/68/75/51/1082687551.db2.gz BDMWASQVKYLKBW-SFHVURJKSA-N 2 2 323.440 3.014 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)cc(OC(F)(F)F)c1 ZINC001143462480 1082932583 /nfs/dbraw/zinc/93/25/83/1082932583.db2.gz MGFNUFMEIAKETH-UHFFFAOYSA-N 2 2 316.367 3.420 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1C ZINC001140818526 1083078780 /nfs/dbraw/zinc/07/87/80/1083078780.db2.gz PNKPQASDXFOJED-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1C ZINC001140818526 1083078784 /nfs/dbraw/zinc/07/87/84/1083078784.db2.gz PNKPQASDXFOJED-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001267586623 1083106030 /nfs/dbraw/zinc/10/60/30/1083106030.db2.gz WBIRWIOZAUBQSL-KRWDZBQOSA-N 2 2 317.477 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001267586623 1083106033 /nfs/dbraw/zinc/10/60/33/1083106033.db2.gz WBIRWIOZAUBQSL-KRWDZBQOSA-N 2 2 317.477 3.057 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001170706243 1083189710 /nfs/dbraw/zinc/18/97/10/1083189710.db2.gz ACPARSBMJCIQTG-ZFWWWQNUSA-N 2 2 317.383 3.358 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001170706854 1083193263 /nfs/dbraw/zinc/19/32/63/1083193263.db2.gz NOKUELCAKUFWFL-MRXNPFEDSA-N 2 2 317.383 3.356 20 0 DGADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H](C[NH3+])c3ccc(Br)cc3)C[C@@H]21 ZINC001170724615 1083234085 /nfs/dbraw/zinc/23/40/85/1083234085.db2.gz NPMRGAMYISUBPZ-APIJFGDWSA-N 2 2 323.278 3.473 20 0 DGADLP CC1(C)[C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccc(O)cc4)CC3)C[C@@H]21 ZINC001170731295 1083244183 /nfs/dbraw/zinc/24/41/83/1083244183.db2.gz PELRBJAQHRALLZ-GGPHIMKMSA-N 2 2 314.473 3.381 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000689869275 1083318825 /nfs/dbraw/zinc/31/88/25/1083318825.db2.gz LRVXCTKCQKSAAG-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000689869275 1083318826 /nfs/dbraw/zinc/31/88/26/1083318826.db2.gz LRVXCTKCQKSAAG-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP COc1cc(N([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)cc[nH+]1 ZINC001170766127 1083319367 /nfs/dbraw/zinc/31/93/67/1083319367.db2.gz JJKDVDRTNOSBAQ-BJWYYQGGSA-N 2 2 315.461 3.083 20 0 DGADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC001181817607 1083556300 /nfs/dbraw/zinc/55/63/00/1083556300.db2.gz AHQUYQCHLKTLAJ-WFASDCNBSA-N 2 2 313.283 3.310 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329276 1083574741 /nfs/dbraw/zinc/57/47/41/1083574741.db2.gz GMGXOIZQABGELV-NZSAHSFTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329276 1083574751 /nfs/dbraw/zinc/57/47/51/1083574751.db2.gz GMGXOIZQABGELV-NZSAHSFTSA-N 3 2 315.505 3.017 20 0 DGADLP COc1cc(C)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)n1 ZINC001648927306 1083636918 /nfs/dbraw/zinc/63/69/18/1083636918.db2.gz PVSLCRVSGQGHOY-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP Cc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC001182593762 1083759805 /nfs/dbraw/zinc/75/98/05/1083759805.db2.gz ANTGFYFBUDKZHQ-HXUWFJFHSA-N 2 2 316.489 3.033 20 0 DGADLP Cc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC001182593762 1083759813 /nfs/dbraw/zinc/75/98/13/1083759813.db2.gz ANTGFYFBUDKZHQ-HXUWFJFHSA-N 2 2 316.489 3.033 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001182917924 1083840411 /nfs/dbraw/zinc/84/04/11/1083840411.db2.gz FJMMARHLIXFVHE-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001182917924 1083840415 /nfs/dbraw/zinc/84/04/15/1083840415.db2.gz FJMMARHLIXFVHE-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2csc(Br)c2)CC1 ZINC001205288512 1084081678 /nfs/dbraw/zinc/08/16/78/1084081678.db2.gz KQUNHDWJZMUSJY-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2csc(Br)c2)CC1 ZINC001205288512 1084081684 /nfs/dbraw/zinc/08/16/84/1084081684.db2.gz KQUNHDWJZMUSJY-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268070071 1084099890 /nfs/dbraw/zinc/09/98/90/1084099890.db2.gz CMEQCPPBFOAAGP-CQSZACIVSA-N 2 2 316.449 3.193 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCN3Cc4ccccc4C3)c2)c[nH+]1 ZINC001648935441 1084125848 /nfs/dbraw/zinc/12/58/48/1084125848.db2.gz MDUOMIFDPPRJHL-UHFFFAOYSA-N 2 2 324.453 3.039 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001167839698 1084164899 /nfs/dbraw/zinc/16/48/99/1084164899.db2.gz BJTOPDHHPKWHBK-KRWDZBQOSA-N 3 2 318.509 3.151 20 0 DGADLP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001184453655 1084187217 /nfs/dbraw/zinc/18/72/17/1084187217.db2.gz LGBXPSORPXMWPD-DKRLNXSXSA-N 2 2 315.461 3.167 20 0 DGADLP CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001268120993 1084202421 /nfs/dbraw/zinc/20/24/21/1084202421.db2.gz YILQDKAKOWWLJX-QGZVFWFLSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317787 1084291839 /nfs/dbraw/zinc/29/18/39/1084291839.db2.gz QGDHWIKGYKAXMD-ONGXEEELSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205317787 1084291851 /nfs/dbraw/zinc/29/18/51/1084291851.db2.gz QGDHWIKGYKAXMD-ONGXEEELSA-N 2 2 317.296 3.236 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205333051 1084495969 /nfs/dbraw/zinc/49/59/69/1084495969.db2.gz VVFMNQXFAKUOAY-LLVKDONJSA-N 2 2 320.330 3.107 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205333051 1084495975 /nfs/dbraw/zinc/49/59/75/1084495975.db2.gz VVFMNQXFAKUOAY-LLVKDONJSA-N 2 2 320.330 3.107 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC001167911662 1084620914 /nfs/dbraw/zinc/62/09/14/1084620914.db2.gz CPWRKRCGOJLYGP-ALXJQNPVSA-N 2 2 300.446 3.048 20 0 DGADLP CC[C@H](C)C[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001273521225 1084644656 /nfs/dbraw/zinc/64/46/56/1084644656.db2.gz MNVIOIHZILAZAQ-ZDUSSCGKSA-N 2 2 305.466 3.105 20 0 DGADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1F ZINC001167973430 1085914665 /nfs/dbraw/zinc/91/46/65/1085914665.db2.gz KRWPZMLBVQAVLD-ALOPSCKCSA-N 2 2 318.436 3.329 20 0 DGADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1F ZINC001167973430 1085914682 /nfs/dbraw/zinc/91/46/82/1085914682.db2.gz KRWPZMLBVQAVLD-ALOPSCKCSA-N 2 2 318.436 3.329 20 0 DGADLP c1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCO2 ZINC001167995346 1086061713 /nfs/dbraw/zinc/06/17/13/1086061713.db2.gz BUYTVBITZPAGBM-DFNIBXOVSA-N 2 2 312.457 3.286 20 0 DGADLP c1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCO2 ZINC001167995346 1086061721 /nfs/dbraw/zinc/06/17/21/1086061721.db2.gz BUYTVBITZPAGBM-DFNIBXOVSA-N 2 2 312.457 3.286 20 0 DGADLP c1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CCO2 ZINC001167995346 1086061729 /nfs/dbraw/zinc/06/17/29/1086061729.db2.gz BUYTVBITZPAGBM-DFNIBXOVSA-N 2 2 312.457 3.286 20 0 DGADLP c1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CCO2 ZINC001167995346 1086061738 /nfs/dbraw/zinc/06/17/38/1086061738.db2.gz BUYTVBITZPAGBM-DFNIBXOVSA-N 2 2 312.457 3.286 20 0 DGADLP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001482388796 1086114471 /nfs/dbraw/zinc/11/44/71/1086114471.db2.gz CBRQIXOCPWBWPZ-MRXNPFEDSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CCCF)CC(C)C)c(C)[nH+]1 ZINC001482389846 1086116539 /nfs/dbraw/zinc/11/65/39/1086116539.db2.gz YQJWVKMPVBZMJK-INIZCTEOSA-N 2 2 323.456 3.101 20 0 DGADLP CCC[N@H+](CCC[NH3+])C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009244 1086177127 /nfs/dbraw/zinc/17/71/27/1086177127.db2.gz HNRIIFIEEPJQQI-ROUUACIJSA-N 3 2 317.521 3.489 20 0 DGADLP CCC[N@@H+](CCC[NH3+])C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009244 1086177130 /nfs/dbraw/zinc/17/71/30/1086177130.db2.gz HNRIIFIEEPJQQI-ROUUACIJSA-N 3 2 317.521 3.489 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001271042084 1086262240 /nfs/dbraw/zinc/26/22/40/1086262240.db2.gz DEIYHBWMJIAKHS-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@@H]1CC([NH+]2CCC(C)([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025330 1086432499 /nfs/dbraw/zinc/43/24/99/1086432499.db2.gz JOZMCIXHEZYHDE-IAGOWNOFSA-N 3 2 315.505 3.241 20 0 DGADLP CCN1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033425 1086472872 /nfs/dbraw/zinc/47/28/72/1086472872.db2.gz LMBMFXASXARFNB-PIKOESSRSA-N 2 2 315.505 3.112 20 0 DGADLP CCN1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168033425 1086472877 /nfs/dbraw/zinc/47/28/77/1086472877.db2.gz LMBMFXASXARFNB-PIKOESSRSA-N 2 2 315.505 3.112 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1C ZINC001205018599 1086629257 /nfs/dbraw/zinc/62/92/57/1086629257.db2.gz VNBOYZVQUSCBOD-MRXNPFEDSA-N 2 2 305.466 3.000 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1C ZINC001205018599 1086629258 /nfs/dbraw/zinc/62/92/58/1086629258.db2.gz VNBOYZVQUSCBOD-MRXNPFEDSA-N 2 2 305.466 3.000 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)s2)cc1 ZINC001204783082 1086635093 /nfs/dbraw/zinc/63/50/93/1086635093.db2.gz OCVXORNAHORCGH-QGZVFWFLSA-N 2 2 302.443 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)s2)cc1 ZINC001204783082 1086635100 /nfs/dbraw/zinc/63/51/00/1086635100.db2.gz OCVXORNAHORCGH-QGZVFWFLSA-N 2 2 302.443 3.347 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCCCC[C@@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001088351202 1086846448 /nfs/dbraw/zinc/84/64/48/1086846448.db2.gz UYJAHAKPLXSXQO-QGZVFWFLSA-N 2 2 317.477 3.390 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140385 1086976827 /nfs/dbraw/zinc/97/68/27/1086976827.db2.gz FKHWDQYIXNRSFP-CRAIPNDOSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140385 1086976828 /nfs/dbraw/zinc/97/68/28/1086976828.db2.gz FKHWDQYIXNRSFP-CRAIPNDOSA-N 2 2 320.452 3.289 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001483250549 1087449961 /nfs/dbraw/zinc/44/99/61/1087449961.db2.gz LKTCFONKJVRFBH-BBRMVZONSA-N 2 2 319.493 3.397 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001168428462 1087649064 /nfs/dbraw/zinc/64/90/64/1087649064.db2.gz ARQYUGOAKKCZGC-LJQANCHMSA-N 2 2 314.448 3.101 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001168428462 1087649065 /nfs/dbraw/zinc/64/90/65/1087649065.db2.gz ARQYUGOAKKCZGC-LJQANCHMSA-N 2 2 314.448 3.101 20 0 DGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455464 1088127080 /nfs/dbraw/zinc/12/70/80/1088127080.db2.gz VEQIDIJJYMEHCL-RHSMWYFYSA-N 2 2 317.477 3.105 20 0 DGADLP COc1cc(F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206646508 1088156885 /nfs/dbraw/zinc/15/68/85/1088156885.db2.gz CVVWWKLYTPMUMA-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COc1cc(F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206646508 1088156893 /nfs/dbraw/zinc/15/68/93/1088156893.db2.gz CVVWWKLYTPMUMA-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COc1cc(F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206646506 1088157425 /nfs/dbraw/zinc/15/74/25/1088157425.db2.gz CVVWWKLYTPMUMA-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1cc(F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206646506 1088157428 /nfs/dbraw/zinc/15/74/28/1088157428.db2.gz CVVWWKLYTPMUMA-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP [NH3+]CCOc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001159167028 1088216321 /nfs/dbraw/zinc/21/63/21/1088216321.db2.gz HHAZAUASGFIWOZ-UHFFFAOYSA-N 2 2 312.417 3.153 20 0 DGADLP Cc1cc(Nc2cccc(C(C)C)[nH+]2)cnc1N1CC[NH2+]CC1 ZINC001159200713 1088231741 /nfs/dbraw/zinc/23/17/41/1088231741.db2.gz ORNLMYHOKJZBFJ-UHFFFAOYSA-N 2 2 311.433 3.062 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(Cl)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205140233 1088241030 /nfs/dbraw/zinc/24/10/30/1088241030.db2.gz DPGRSOKTECGERT-VHSXEESVSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205140233 1088241046 /nfs/dbraw/zinc/24/10/46/1088241046.db2.gz DPGRSOKTECGERT-VHSXEESVSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205141112 1088250897 /nfs/dbraw/zinc/25/08/97/1088250897.db2.gz WLHGXFCIECRHGR-WCBMZHEXSA-N 2 2 308.294 3.010 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205141112 1088250914 /nfs/dbraw/zinc/25/09/14/1088250914.db2.gz WLHGXFCIECRHGR-WCBMZHEXSA-N 2 2 308.294 3.010 20 0 DGADLP COc1ccc2[nH+]ccc(Nc3ccc([C@H]4CCC[NH2+]4)cc3)c2n1 ZINC001159289513 1088273802 /nfs/dbraw/zinc/27/38/02/1088273802.db2.gz CNJNJNFAMQSHQY-OAHLLOKOSA-N 2 2 320.396 3.228 20 0 DGADLP c1[nH]c2c(cccc2Nc2cccnc2OCC2CC[NH2+]CC2)[nH+]1 ZINC001159295902 1088277124 /nfs/dbraw/zinc/27/71/24/1088277124.db2.gz VWRWDBHHTRSUAU-UHFFFAOYSA-N 2 2 323.400 3.080 20 0 DGADLP CC(C)Oc1cc(F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1 ZINC001206647813 1088279383 /nfs/dbraw/zinc/27/93/83/1088279383.db2.gz JOWCIULUAIUHPO-CYBMUJFWSA-N 2 2 312.404 3.313 20 0 DGADLP CC(C)Oc1cc(F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1 ZINC001206647813 1088279393 /nfs/dbraw/zinc/27/93/93/1088279393.db2.gz JOWCIULUAIUHPO-CYBMUJFWSA-N 2 2 312.404 3.313 20 0 DGADLP COc1cc[nH+]cc1Nc1cnccc1[C@H]1C[C@H]([NH3+])C[C@@H](C)C1 ZINC001159387166 1088329499 /nfs/dbraw/zinc/32/94/99/1088329499.db2.gz AKMJZFFLQSLSTI-BFHYXJOUSA-N 2 2 312.417 3.460 20 0 DGADLP FC(F)(F)Oc1cc[nH+]c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159416362 1088342474 /nfs/dbraw/zinc/34/24/74/1088342474.db2.gz VHOYANRUNSGOPE-UHFFFAOYSA-N 2 2 309.291 3.370 20 0 DGADLP c1cn(-c2ccc(Nc3cccc(N4CC[NH2+]CC4)c3)cc2)c[nH+]1 ZINC001159429793 1088348111 /nfs/dbraw/zinc/34/81/11/1088348111.db2.gz BSYWFFVCGKUAHU-UHFFFAOYSA-N 2 2 319.412 3.026 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159455628 1088355874 /nfs/dbraw/zinc/35/58/74/1088355874.db2.gz HJVPPIWXTZEKOC-UHFFFAOYSA-N 2 2 308.429 3.421 20 0 DGADLP CNc1ccc(Nc2ccc(OCCC[NH+](C)C)cc2)c[nH+]1 ZINC001203454634 1088533870 /nfs/dbraw/zinc/53/38/70/1088533870.db2.gz HSWSSVVQFVQBMS-UHFFFAOYSA-N 2 2 300.406 3.197 20 0 DGADLP c1cc2c([nH]1)[nH+]ccc2Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159946179 1088563074 /nfs/dbraw/zinc/56/30/74/1088563074.db2.gz IYFCFYWXRIVCTH-OAHLLOKOSA-N 2 2 308.385 3.389 20 0 DGADLP CCc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc(C)[nH+]1 ZINC001159949560 1088567613 /nfs/dbraw/zinc/56/76/13/1088567613.db2.gz QVHNWRDOUIMGQA-ZDUSSCGKSA-N 2 2 306.413 3.107 20 0 DGADLP CCCc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc(C)[nH+]1 ZINC001159950524 1088569242 /nfs/dbraw/zinc/56/92/42/1088569242.db2.gz XNYSCCOOCPXLCO-CQSZACIVSA-N 2 2 320.440 3.497 20 0 DGADLP COc1cc(Nc2ccccc2N2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC001159978794 1088584355 /nfs/dbraw/zinc/58/43/55/1088584355.db2.gz YDJTVZPRIPWARD-AWEZNQCLSA-N 2 2 312.417 3.070 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1C ZINC001160038179 1088610966 /nfs/dbraw/zinc/61/09/66/1088610966.db2.gz MSWAQTGWMZQOSQ-GOSISDBHSA-N 2 2 310.445 3.363 20 0 DGADLP C[NH+]1CCN(c2cccc(N[C@H](c3ccccc3)C3CC3)[nH+]2)CC1 ZINC001154645638 1088689861 /nfs/dbraw/zinc/68/98/61/1088689861.db2.gz OVIJIWSHCGZQCE-HXUWFJFHSA-N 2 2 322.456 3.397 20 0 DGADLP Cc1cc(Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)ccc1[NH+](C)C ZINC001160394661 1088781466 /nfs/dbraw/zinc/78/14/66/1088781466.db2.gz LSHVEHZMKUOACR-KBXCAEBGSA-N 2 2 309.413 3.252 20 0 DGADLP CCCc1cc(N(Cc2ccccc2)C[C@H](C)C[NH3+])nc(C)[nH+]1 ZINC001160666541 1088911603 /nfs/dbraw/zinc/91/16/03/1088911603.db2.gz ZQPWDKNDXSLVSR-OAHLLOKOSA-N 2 2 312.461 3.339 20 0 DGADLP CC(C)(C)c1cc(Cl)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155064367 1088928628 /nfs/dbraw/zinc/92/86/28/1088928628.db2.gz POKHTEFUHAHJIL-UHFFFAOYSA-N 2 2 319.840 3.080 20 0 DGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521111 1089142939 /nfs/dbraw/zinc/14/29/39/1089142939.db2.gz FKAUZFIENWQKSZ-PMKBXARWSA-N 2 2 320.481 3.017 20 0 DGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521111 1089142953 /nfs/dbraw/zinc/14/29/53/1089142953.db2.gz FKAUZFIENWQKSZ-PMKBXARWSA-N 2 2 320.481 3.017 20 0 DGADLP CSc1cc[nH+]c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC001161239969 1089164161 /nfs/dbraw/zinc/16/41/61/1089164161.db2.gz CTGNMCUGOOVGCV-UHFFFAOYSA-N 2 2 321.490 3.106 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cc(-c3ccccc3)cc[nH+]2)C2COC2)CC1 ZINC001161277046 1089175857 /nfs/dbraw/zinc/17/58/57/1089175857.db2.gz NYYJKSOLVBBISY-IYARVYRRSA-N 2 2 323.440 3.224 20 0 DGADLP CCN(CC)c1cc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)nc[nH+]1 ZINC001155901505 1089295158 /nfs/dbraw/zinc/29/51/58/1089295158.db2.gz FHWHMGBITMZSTE-UHFFFAOYSA-N 2 2 323.444 3.342 20 0 DGADLP Cc1nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c(C)c(C)[nH+]1 ZINC001155995673 1089336264 /nfs/dbraw/zinc/33/62/64/1089336264.db2.gz IURUZYJXZVHVDJ-UHFFFAOYSA-N 2 2 300.793 3.458 20 0 DGADLP c1[nH+]c(CNc2[nH+]ccc3c4c([nH]c32)CCC4)c2ccccn12 ZINC001161687249 1089348051 /nfs/dbraw/zinc/34/80/51/1089348051.db2.gz RNEWDWVUIOXQNA-UHFFFAOYSA-N 2 2 303.369 3.311 20 0 DGADLP CC(C)(C)[NH+]1CC(Nc2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001162220864 1089614860 /nfs/dbraw/zinc/61/48/60/1089614860.db2.gz CNKZKTVKYHQKSF-UHFFFAOYSA-N 2 2 322.884 3.225 20 0 DGADLP COc1cc2c[nH+]c(NC3C[NH+](C(C)(C)C)C3)cc2cc1OC ZINC001162226406 1089616151 /nfs/dbraw/zinc/61/61/51/1089616151.db2.gz RFNIQRXNUVOFNV-UHFFFAOYSA-N 2 2 315.417 3.147 20 0 DGADLP COc1cc2c[nH+]c(N[C@]3(C)CCC[N@H+](C)C3)cc2cc1OC ZINC001162339598 1089681355 /nfs/dbraw/zinc/68/13/55/1089681355.db2.gz MFLNMZWGHAJMLO-GOSISDBHSA-N 2 2 315.417 3.148 20 0 DGADLP COc1cc2c[nH+]c(N[C@]3(C)CCC[N@@H+](C)C3)cc2cc1OC ZINC001162339598 1089681361 /nfs/dbraw/zinc/68/13/61/1089681361.db2.gz MFLNMZWGHAJMLO-GOSISDBHSA-N 2 2 315.417 3.148 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156763983 1089682409 /nfs/dbraw/zinc/68/24/09/1089682409.db2.gz MMRRTXVEJPKAFE-MRXNPFEDSA-N 2 2 311.433 3.218 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1c1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156763983 1089682419 /nfs/dbraw/zinc/68/24/19/1089682419.db2.gz MMRRTXVEJPKAFE-MRXNPFEDSA-N 2 2 311.433 3.218 20 0 DGADLP CC(C)([NH2+]C[C@]1(CC2CC2)CCC[NH2+]1)c1ccnc(Cl)c1 ZINC001162352878 1089692232 /nfs/dbraw/zinc/69/22/32/1089692232.db2.gz DWWPPQQZQDDAJK-QGZVFWFLSA-N 2 2 307.869 3.482 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCC[N@H+]3CCCC[C@H]3C)c2c1C ZINC001156928850 1089751158 /nfs/dbraw/zinc/75/11/58/1089751158.db2.gz OZUDACZGYMOHBS-GFCCVEGCSA-N 2 2 301.438 3.251 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCC[N@@H+]3CCCC[C@H]3C)c2c1C ZINC001156928850 1089751164 /nfs/dbraw/zinc/75/11/64/1089751164.db2.gz OZUDACZGYMOHBS-GFCCVEGCSA-N 2 2 301.438 3.251 20 0 DGADLP COc1cc2cc[nH+]c(NCc3ccc(N)[nH+]c3C)c2cc1F ZINC001156986445 1089776989 /nfs/dbraw/zinc/77/69/89/1089776989.db2.gz WVVVESXJJAZJOB-UHFFFAOYSA-N 2 2 312.348 3.280 20 0 DGADLP Cc1cc[nH+]c(NCCSCc2csc(C[NH+](C)C)n2)c1 ZINC001157332835 1089911510 /nfs/dbraw/zinc/91/15/10/1089911510.db2.gz KFYJHEURGFSPCT-UHFFFAOYSA-N 2 2 322.503 3.253 20 0 DGADLP C[NH+](C)Cc1c(F)cc(N2C[C@H]([NH3+])Cc3ccccc32)cc1F ZINC001162855171 1089993883 /nfs/dbraw/zinc/99/38/83/1089993883.db2.gz ZJVPAZONKVFNDM-CYBMUJFWSA-N 2 2 317.383 3.048 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CC2CCCCC2)c(C)[nH+]1 ZINC001162916909 1090024959 /nfs/dbraw/zinc/02/49/59/1090024959.db2.gz CVAQWOYUZZXGNP-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2C1 ZINC001157700348 1090082270 /nfs/dbraw/zinc/08/22/70/1090082270.db2.gz QALSYJZKAREJDM-ZIAGYGMSSA-N 2 2 307.869 3.244 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@@H+](C(C)C)C[C@@H]3C)c2c1C ZINC001163366159 1090165316 /nfs/dbraw/zinc/16/53/16/1090165316.db2.gz RZXFVABVNBCTJG-FZMZJTMJSA-N 2 2 301.438 3.105 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@H+](C(C)C)C[C@@H]3C)c2c1C ZINC001163366159 1090165319 /nfs/dbraw/zinc/16/53/19/1090165319.db2.gz RZXFVABVNBCTJG-FZMZJTMJSA-N 2 2 301.438 3.105 20 0 DGADLP CCCC[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001485457548 1090169832 /nfs/dbraw/zinc/16/98/32/1090169832.db2.gz NTOQJAJIBWEFNL-MRXNPFEDSA-N 2 2 320.481 3.043 20 0 DGADLP CCc1cc(N2CC[NH+]([C@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC001164009055 1090316397 /nfs/dbraw/zinc/31/63/97/1090316397.db2.gz TZMUCZHMGQQNBT-OAHLLOKOSA-N 2 2 310.445 3.231 20 0 DGADLP CCc1nc(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001165202796 1090480013 /nfs/dbraw/zinc/48/00/13/1090480013.db2.gz OYSQBAAWNQPIKJ-SJORKVTESA-N 2 2 324.472 3.447 20 0 DGADLP CCc1nc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001165202796 1090480015 /nfs/dbraw/zinc/48/00/15/1090480015.db2.gz OYSQBAAWNQPIKJ-SJORKVTESA-N 2 2 324.472 3.447 20 0 DGADLP c1cc2c3c([nH]c2c(N2CCCCC24CC[NH2+]CC4)[nH+]1)CCC3 ZINC001165340049 1090508632 /nfs/dbraw/zinc/50/86/32/1090508632.db2.gz KRUHFLQCFSUERV-UHFFFAOYSA-N 2 2 310.445 3.164 20 0 DGADLP CC(C)[NH+]1CCC(CNc2cc(N(C)C)cc(Cl)[nH+]2)CC1 ZINC001166593194 1090625159 /nfs/dbraw/zinc/62/51/59/1090625159.db2.gz AXTMOLIQFOFCIZ-UHFFFAOYSA-N 2 2 310.873 3.333 20 0 DGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168676144 1090700021 /nfs/dbraw/zinc/70/00/21/1090700021.db2.gz ITJVWACCAVKSLB-MRXNPFEDSA-N 2 2 300.833 3.268 20 0 DGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168676144 1090700023 /nfs/dbraw/zinc/70/00/23/1090700023.db2.gz ITJVWACCAVKSLB-MRXNPFEDSA-N 2 2 300.833 3.268 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001203294678 1090715071 /nfs/dbraw/zinc/71/50/71/1090715071.db2.gz MJOHQAWHHOUUHD-INIZCTEOSA-N 2 2 319.449 3.217 20 0 DGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001203294678 1090715072 /nfs/dbraw/zinc/71/50/72/1090715072.db2.gz MJOHQAWHHOUUHD-INIZCTEOSA-N 2 2 319.449 3.217 20 0 DGADLP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001486204757 1090787780 /nfs/dbraw/zinc/78/77/80/1090787780.db2.gz HBPRQDADYPIDJJ-IAGOWNOFSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203749218 1090796312 /nfs/dbraw/zinc/79/63/12/1090796312.db2.gz YIDJWNWUJOPJMN-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C)c(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203749218 1090796315 /nfs/dbraw/zinc/79/63/15/1090796315.db2.gz YIDJWNWUJOPJMN-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203749218 1090796318 /nfs/dbraw/zinc/79/63/18/1090796318.db2.gz YIDJWNWUJOPJMN-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203749218 1090796320 /nfs/dbraw/zinc/79/63/20/1090796320.db2.gz YIDJWNWUJOPJMN-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP c1csc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204014228 1090868123 /nfs/dbraw/zinc/86/81/23/1090868123.db2.gz RVMMLUADYPQVRJ-FUHWJXTLSA-N 2 2 320.502 3.071 20 0 DGADLP c1csc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204014228 1090868137 /nfs/dbraw/zinc/86/81/37/1090868137.db2.gz RVMMLUADYPQVRJ-FUHWJXTLSA-N 2 2 320.502 3.071 20 0 DGADLP c1csc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204014228 1090868151 /nfs/dbraw/zinc/86/81/51/1090868151.db2.gz RVMMLUADYPQVRJ-FUHWJXTLSA-N 2 2 320.502 3.071 20 0 DGADLP c1csc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001204014228 1090868160 /nfs/dbraw/zinc/86/81/60/1090868160.db2.gz RVMMLUADYPQVRJ-FUHWJXTLSA-N 2 2 320.502 3.071 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204018466 1090870874 /nfs/dbraw/zinc/87/08/74/1090870874.db2.gz ZBJGUMKVXYUVAR-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204090056 1090898965 /nfs/dbraw/zinc/89/89/65/1090898965.db2.gz AXSOOJDCEYDSKB-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204090056 1090898975 /nfs/dbraw/zinc/89/89/75/1090898975.db2.gz AXSOOJDCEYDSKB-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204090056 1090898984 /nfs/dbraw/zinc/89/89/84/1090898984.db2.gz AXSOOJDCEYDSKB-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204090056 1090898993 /nfs/dbraw/zinc/89/89/93/1090898993.db2.gz AXSOOJDCEYDSKB-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC001204494775 1090982715 /nfs/dbraw/zinc/98/27/15/1090982715.db2.gz RFBPBBRTXDMKFI-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC001204494775 1090982717 /nfs/dbraw/zinc/98/27/17/1090982717.db2.gz RFBPBBRTXDMKFI-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP [NH3+]CC[C@H]1C[N@H+](Cc2sccc2Oc2ccccc2)CCO1 ZINC001204756635 1091031899 /nfs/dbraw/zinc/03/18/99/1091031899.db2.gz RBYIQGMTISTEIO-HNNXBMFYSA-N 2 2 318.442 3.090 20 0 DGADLP [NH3+]CC[C@H]1C[N@@H+](Cc2sccc2Oc2ccccc2)CCO1 ZINC001204756635 1091031906 /nfs/dbraw/zinc/03/19/06/1091031906.db2.gz RBYIQGMTISTEIO-HNNXBMFYSA-N 2 2 318.442 3.090 20 0 DGADLP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CCO1 ZINC001204756460 1091032303 /nfs/dbraw/zinc/03/23/03/1091032303.db2.gz PFYZUNMGDZWSOU-SFHVURJKSA-N 2 2 312.413 3.029 20 0 DGADLP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CCO1 ZINC001204756460 1091032309 /nfs/dbraw/zinc/03/23/09/1091032309.db2.gz PFYZUNMGDZWSOU-SFHVURJKSA-N 2 2 312.413 3.029 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC001204771664 1091033575 /nfs/dbraw/zinc/03/35/75/1091033575.db2.gz PVVVYGTZERZUKD-UHFFFAOYSA-N 2 2 321.428 3.005 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204792708 1091037412 /nfs/dbraw/zinc/03/74/12/1091037412.db2.gz YYZJKOQIQWGJFR-HXUWFJFHSA-N 2 2 310.441 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204792708 1091037414 /nfs/dbraw/zinc/03/74/14/1091037414.db2.gz YYZJKOQIQWGJFR-HXUWFJFHSA-N 2 2 310.441 3.497 20 0 DGADLP C[NH+](C)CCCOc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001204978240 1091075296 /nfs/dbraw/zinc/07/52/96/1091075296.db2.gz QZNFSBCQVGHCBZ-UHFFFAOYSA-N 2 2 310.401 3.408 20 0 DGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124262 1091108112 /nfs/dbraw/zinc/10/81/12/1091108112.db2.gz MRPKIEZRIVCZSV-GFCCVEGCSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124262 1091108116 /nfs/dbraw/zinc/10/81/16/1091108116.db2.gz MRPKIEZRIVCZSV-GFCCVEGCSA-N 2 2 315.230 3.210 20 0 DGADLP CCC[NH+](CCC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001292846653 1091186690 /nfs/dbraw/zinc/18/66/90/1091186690.db2.gz JEGQRSPFGFZYTJ-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP COc1c(Cl)cc(C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC001138473411 1091194380 /nfs/dbraw/zinc/19/43/80/1091194380.db2.gz YISKNQGVTUUDRX-UHFFFAOYSA-N 2 2 305.249 3.386 20 0 DGADLP COc1c(Cl)cc(C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC001138473411 1091194386 /nfs/dbraw/zinc/19/43/86/1091194386.db2.gz YISKNQGVTUUDRX-UHFFFAOYSA-N 2 2 305.249 3.386 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3sccc3Cl)CC2)cc[nH+]1 ZINC001205354226 1091195946 /nfs/dbraw/zinc/19/59/46/1091195946.db2.gz TYRTVBHTZMUAEH-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001138614173 1091255494 /nfs/dbraw/zinc/25/54/94/1091255494.db2.gz UKPOIJSACQOANM-UHFFFAOYSA-N 2 2 313.489 3.345 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001138614173 1091255503 /nfs/dbraw/zinc/25/55/03/1091255503.db2.gz UKPOIJSACQOANM-UHFFFAOYSA-N 2 2 313.489 3.345 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccn1-c1ccccc1F ZINC001138636432 1091268613 /nfs/dbraw/zinc/26/86/13/1091268613.db2.gz LSLTVZDOUIASHN-UHFFFAOYSA-N 2 2 312.392 3.335 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716886 1091296418 /nfs/dbraw/zinc/29/64/18/1091296418.db2.gz BWSIJVQFYKLMDF-SFHVURJKSA-N 2 2 324.424 3.368 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716886 1091296426 /nfs/dbraw/zinc/29/64/26/1091296426.db2.gz BWSIJVQFYKLMDF-SFHVURJKSA-N 2 2 324.424 3.368 20 0 DGADLP Cc1c(C)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205795121 1091352723 /nfs/dbraw/zinc/35/27/23/1091352723.db2.gz CPRHVWXAXOIYNI-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1c(C)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1Cl ZINC001205795121 1091352733 /nfs/dbraw/zinc/35/27/33/1091352733.db2.gz CPRHVWXAXOIYNI-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828388 1091369182 /nfs/dbraw/zinc/36/91/82/1091369182.db2.gz KWCOGIBBLSTFCA-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828388 1091369188 /nfs/dbraw/zinc/36/91/88/1091369188.db2.gz KWCOGIBBLSTFCA-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855123 1091378903 /nfs/dbraw/zinc/37/89/03/1091378903.db2.gz LUSYGKJPDRCGJU-YOEHRIQHSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855123 1091378911 /nfs/dbraw/zinc/37/89/11/1091378911.db2.gz LUSYGKJPDRCGJU-YOEHRIQHSA-N 2 2 313.420 3.447 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+]2CC[C@H]2C2CC2)c2c1OC(F)(F)O2 ZINC001205907338 1091403520 /nfs/dbraw/zinc/40/35/20/1091403520.db2.gz GOZZHHRKGFRZBC-AWEZNQCLSA-N 2 2 324.371 3.054 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+]2CC[C@H]2C2CC2)c2c1OC(F)(F)O2 ZINC001205907338 1091403525 /nfs/dbraw/zinc/40/35/25/1091403525.db2.gz GOZZHHRKGFRZBC-AWEZNQCLSA-N 2 2 324.371 3.054 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905261 1091403738 /nfs/dbraw/zinc/40/37/38/1091403738.db2.gz ZUDHLDZUEPDIMX-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905261 1091403743 /nfs/dbraw/zinc/40/37/43/1091403743.db2.gz ZUDHLDZUEPDIMX-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912922 1091406649 /nfs/dbraw/zinc/40/66/49/1091406649.db2.gz DXGZYILCOJYEGU-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912922 1091406654 /nfs/dbraw/zinc/40/66/54/1091406654.db2.gz DXGZYILCOJYEGU-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1C(F)(F)F ZINC001205913487 1091406872 /nfs/dbraw/zinc/40/68/72/1091406872.db2.gz IOLMYQDHYUFXOK-DGCLKSJQSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1C(F)(F)F ZINC001205913487 1091406876 /nfs/dbraw/zinc/40/68/76/1091406876.db2.gz IOLMYQDHYUFXOK-DGCLKSJQSA-N 2 2 316.367 3.273 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912921 1091407738 /nfs/dbraw/zinc/40/77/38/1091407738.db2.gz DXGZYILCOJYEGU-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912921 1091407746 /nfs/dbraw/zinc/40/77/46/1091407746.db2.gz DXGZYILCOJYEGU-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(C(F)(F)F)c1 ZINC001205913765 1091407962 /nfs/dbraw/zinc/40/79/62/1091407962.db2.gz JOOBTCMVARGLAM-YPMHNXCESA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(C(F)(F)F)c1 ZINC001205913765 1091407966 /nfs/dbraw/zinc/40/79/66/1091407966.db2.gz JOOBTCMVARGLAM-YPMHNXCESA-N 2 2 316.367 3.273 20 0 DGADLP [NH3+]C1([C@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@H]2CF)CC1 ZINC001165429247 1091426035 /nfs/dbraw/zinc/42/60/35/1091426035.db2.gz IIZZBEIEKYPHFP-SJORKVTESA-N 2 2 311.404 3.262 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc(C[NH+]2CCOCC2)c1 ZINC001139052626 1091431153 /nfs/dbraw/zinc/43/11/53/1091431153.db2.gz HMXJHRRTRYQDGR-PMACEKPBSA-N 2 2 314.473 3.141 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c(Cl)nc12 ZINC001206188955 1091526104 /nfs/dbraw/zinc/52/61/04/1091526104.db2.gz WLTVOJOWGVQDIJ-GJZGRUSLSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1cccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c(Cl)nc12 ZINC001206188955 1091526110 /nfs/dbraw/zinc/52/61/10/1091526110.db2.gz WLTVOJOWGVQDIJ-GJZGRUSLSA-N 2 2 321.827 3.458 20 0 DGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206211377 1091538055 /nfs/dbraw/zinc/53/80/55/1091538055.db2.gz NZONUVDYIQLPFL-OLZOCXBDSA-N 2 2 302.846 3.323 20 0 DGADLP F[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(F)F ZINC001139358338 1091534729 /nfs/dbraw/zinc/53/47/29/1091534729.db2.gz PEOTXFSJXCGOIL-HNNXBMFYSA-N 2 2 309.335 3.442 20 0 DGADLP F[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(F)F ZINC001139358338 1091534736 /nfs/dbraw/zinc/53/47/36/1091534736.db2.gz PEOTXFSJXCGOIL-HNNXBMFYSA-N 2 2 309.335 3.442 20 0 DGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206211377 1091538065 /nfs/dbraw/zinc/53/80/65/1091538065.db2.gz NZONUVDYIQLPFL-OLZOCXBDSA-N 2 2 302.846 3.323 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccnn3C)C[C@@H]21 ZINC001206342850 1091584424 /nfs/dbraw/zinc/58/44/24/1091584424.db2.gz PNIVVLKYHWFKGL-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccnn3C)C[C@@H]21 ZINC001206342850 1091584431 /nfs/dbraw/zinc/58/44/31/1091584431.db2.gz PNIVVLKYHWFKGL-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]21 ZINC001206342850 1091584440 /nfs/dbraw/zinc/58/44/40/1091584440.db2.gz PNIVVLKYHWFKGL-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]21 ZINC001206342850 1091584445 /nfs/dbraw/zinc/58/44/45/1091584445.db2.gz PNIVVLKYHWFKGL-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)c2c1 ZINC001206351468 1091591094 /nfs/dbraw/zinc/59/10/94/1091591094.db2.gz CVUUEKXNWYSZNF-GOSISDBHSA-N 2 2 319.424 3.220 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)c2c1 ZINC001206351468 1091591099 /nfs/dbraw/zinc/59/10/99/1091591099.db2.gz CVUUEKXNWYSZNF-GOSISDBHSA-N 2 2 319.424 3.220 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001206549474 1091665641 /nfs/dbraw/zinc/66/56/41/1091665641.db2.gz NYWDXUXMSFYNQQ-INIZCTEOSA-N 2 2 306.841 3.167 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001206549474 1091665643 /nfs/dbraw/zinc/66/56/43/1091665643.db2.gz NYWDXUXMSFYNQQ-INIZCTEOSA-N 2 2 306.841 3.167 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001206556666 1091668283 /nfs/dbraw/zinc/66/82/83/1091668283.db2.gz UZJIGEQHEYVEAG-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001206556666 1091668290 /nfs/dbraw/zinc/66/82/90/1091668290.db2.gz UZJIGEQHEYVEAG-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cnc(OC)s1)C1CCCCC1 ZINC001206560423 1091670485 /nfs/dbraw/zinc/67/04/85/1091670485.db2.gz PCIABBSXSISRHC-UHFFFAOYSA-N 2 2 311.495 3.286 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cnc(OC)s1)C1CCCCC1 ZINC001206560423 1091670487 /nfs/dbraw/zinc/67/04/87/1091670487.db2.gz PCIABBSXSISRHC-UHFFFAOYSA-N 2 2 311.495 3.286 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1C(F)(F)F ZINC001206769368 1091731826 /nfs/dbraw/zinc/73/18/26/1091731826.db2.gz ORYXEAYJQVFXKX-YPMHNXCESA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1C(F)(F)F ZINC001206769368 1091731829 /nfs/dbraw/zinc/73/18/29/1091731829.db2.gz ORYXEAYJQVFXKX-YPMHNXCESA-N 2 2 316.367 3.273 20 0 DGADLP CSc1nccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001140037366 1091746377 /nfs/dbraw/zinc/74/63/77/1091746377.db2.gz SUYMJFXODCFDAY-HOTGVXAUSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1nccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001140037366 1091746380 /nfs/dbraw/zinc/74/63/80/1091746380.db2.gz SUYMJFXODCFDAY-HOTGVXAUSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1nccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001140037366 1091746389 /nfs/dbraw/zinc/74/63/89/1091746389.db2.gz SUYMJFXODCFDAY-HOTGVXAUSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1nccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001140037366 1091746393 /nfs/dbraw/zinc/74/63/93/1091746393.db2.gz SUYMJFXODCFDAY-HOTGVXAUSA-N 2 2 320.506 3.037 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc(C)ccn4)C[C@@H]3C2)cc1 ZINC001206848576 1091767937 /nfs/dbraw/zinc/76/79/37/1091767937.db2.gz GSFDCESIPFREQH-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc(C)ccn4)C[C@@H]3C2)cc1 ZINC001206848576 1091767942 /nfs/dbraw/zinc/76/79/42/1091767942.db2.gz GSFDCESIPFREQH-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc(C)ccn4)C[C@@H]3C2)cc1 ZINC001206848576 1091767951 /nfs/dbraw/zinc/76/79/51/1091767951.db2.gz GSFDCESIPFREQH-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc(C)ccn4)C[C@@H]3C2)cc1 ZINC001206848576 1091767956 /nfs/dbraw/zinc/76/79/56/1091767956.db2.gz GSFDCESIPFREQH-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001206863503 1091775726 /nfs/dbraw/zinc/77/57/26/1091775726.db2.gz RTHXPXNOXVGCIG-KBPBESRZSA-N 2 2 319.499 3.077 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173639 1091791483 /nfs/dbraw/zinc/79/14/83/1091791483.db2.gz DXHDIGDVZJLVQW-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173639 1091791491 /nfs/dbraw/zinc/79/14/91/1091791491.db2.gz DXHDIGDVZJLVQW-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173639 1091791500 /nfs/dbraw/zinc/79/15/00/1091791500.db2.gz DXHDIGDVZJLVQW-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3)C[C@H]21 ZINC001140173639 1091791508 /nfs/dbraw/zinc/79/15/08/1091791508.db2.gz DXHDIGDVZJLVQW-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP CC(C)[N@H+](Cc1cnc2ccc(Cl)cn12)C1CC[NH+](C)CC1 ZINC001140433512 1091864857 /nfs/dbraw/zinc/86/48/57/1091864857.db2.gz FUCVSAOQIACBNE-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP CC(C)[N@@H+](Cc1cnc2ccc(Cl)cn12)C1CC[NH+](C)CC1 ZINC001140433512 1091864863 /nfs/dbraw/zinc/86/48/63/1091864863.db2.gz FUCVSAOQIACBNE-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]2C1 ZINC001140437684 1091866596 /nfs/dbraw/zinc/86/65/96/1091866596.db2.gz IFVUJVNZDIBLGO-KBPBESRZSA-N 2 2 303.837 3.205 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001207276337 1091905849 /nfs/dbraw/zinc/90/58/49/1091905849.db2.gz VWRZJLDZVSAFIH-UHFFFAOYSA-N 2 2 302.462 3.169 20 0 DGADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001140592665 1091925132 /nfs/dbraw/zinc/92/51/32/1091925132.db2.gz VHSUEZFFEGECNG-KRWDZBQOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001140592665 1091925138 /nfs/dbraw/zinc/92/51/38/1091925138.db2.gz VHSUEZFFEGECNG-KRWDZBQOSA-N 2 2 300.377 3.491 20 0 DGADLP Clc1cc(C[NH2+][C@@H]2C=CCC2)ccc1OCCn1cc[nH+]c1 ZINC001203055836 1091948081 /nfs/dbraw/zinc/94/80/81/1091948081.db2.gz UCBLTKAAPHHDBS-OAHLLOKOSA-N 2 2 317.820 3.424 20 0 DGADLP C[NH+]1CCC(CC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001207487869 1091985371 /nfs/dbraw/zinc/98/53/71/1091985371.db2.gz WEHPPVCVOJTMSG-SFHVURJKSA-N 2 2 324.415 3.070 20 0 DGADLP C[NH+]1CCC(CC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001207487869 1091985379 /nfs/dbraw/zinc/98/53/79/1091985379.db2.gz WEHPPVCVOJTMSG-SFHVURJKSA-N 2 2 324.415 3.070 20 0 DGADLP C[N@@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)[C@H](c2ccccc2)C1 ZINC001140800164 1092007622 /nfs/dbraw/zinc/00/76/22/1092007622.db2.gz XHDXDGOCGGRTHF-IBGZPJMESA-N 2 2 306.413 3.052 20 0 DGADLP C[N@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)[C@H](c2ccccc2)C1 ZINC001140800164 1092007632 /nfs/dbraw/zinc/00/76/32/1092007632.db2.gz XHDXDGOCGGRTHF-IBGZPJMESA-N 2 2 306.413 3.052 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001140806134 1092008336 /nfs/dbraw/zinc/00/83/36/1092008336.db2.gz WPCNURCMNFGXOV-QGZVFWFLSA-N 2 2 307.397 3.006 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001140806134 1092008348 /nfs/dbraw/zinc/00/83/48/1092008348.db2.gz WPCNURCMNFGXOV-QGZVFWFLSA-N 2 2 307.397 3.006 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805608 1092010877 /nfs/dbraw/zinc/01/08/77/1092010877.db2.gz KPQCTIQHLXQLMZ-OAHLLOKOSA-N 2 2 305.381 3.268 20 0 DGADLP O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805608 1092010887 /nfs/dbraw/zinc/01/08/87/1092010887.db2.gz KPQCTIQHLXQLMZ-OAHLLOKOSA-N 2 2 305.381 3.268 20 0 DGADLP CC[N@@H+](CCc1ccccc1Br)CCn1cc[nH+]c1 ZINC001207534630 1092014856 /nfs/dbraw/zinc/01/48/56/1092014856.db2.gz YQWZZEXKROXGDO-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP CC[N@H+](CCc1ccccc1Br)CCn1cc[nH+]c1 ZINC001207534630 1092014869 /nfs/dbraw/zinc/01/48/69/1092014869.db2.gz YQWZZEXKROXGDO-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP C[C@@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001207621702 1092046223 /nfs/dbraw/zinc/04/62/23/1092046223.db2.gz IOHWIGKGJLJNMJ-AQEOSJORSA-N 2 2 309.542 3.063 20 0 DGADLP C[C@@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001207621702 1092046230 /nfs/dbraw/zinc/04/62/30/1092046230.db2.gz IOHWIGKGJLJNMJ-AQEOSJORSA-N 2 2 309.542 3.063 20 0 DGADLP C[C@H](C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1)c1ccccc1 ZINC001207904141 1092134321 /nfs/dbraw/zinc/13/43/21/1092134321.db2.gz WCSBKFVZXWHRMQ-DUXKGJEZSA-N 2 2 321.468 3.249 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962202 1092160210 /nfs/dbraw/zinc/16/02/10/1092160210.db2.gz IVXXNJPVXAZTII-LJQANCHMSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962202 1092160216 /nfs/dbraw/zinc/16/02/16/1092160216.db2.gz IVXXNJPVXAZTII-LJQANCHMSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C1CC[NH+](C)CC1 ZINC001141182612 1092164067 /nfs/dbraw/zinc/16/40/67/1092164067.db2.gz WEPLUUUUIRNMRA-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C1CC[NH+](C)CC1 ZINC001141182612 1092164071 /nfs/dbraw/zinc/16/40/71/1092164071.db2.gz WEPLUUUUIRNMRA-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP C[C@@H]1C(=O)CC[N@H+](CC2(C[NH+](C)C)CCCC2)C12CCCC2 ZINC001208188656 1092250479 /nfs/dbraw/zinc/25/04/79/1092250479.db2.gz MJSNRZDUYOEBLU-MRXNPFEDSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@@H]1C(=O)CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C12CCCC2 ZINC001208188656 1092250494 /nfs/dbraw/zinc/25/04/94/1092250494.db2.gz MJSNRZDUYOEBLU-MRXNPFEDSA-N 2 2 306.494 3.332 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001208602767 1092421696 /nfs/dbraw/zinc/42/16/96/1092421696.db2.gz MJGUKCNVKCJADI-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001208602767 1092421701 /nfs/dbraw/zinc/42/17/01/1092421701.db2.gz MJGUKCNVKCJADI-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001208604422 1092422481 /nfs/dbraw/zinc/42/24/81/1092422481.db2.gz ORKWKMLROABSLC-HNNXBMFYSA-N 2 2 318.436 3.062 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001208604422 1092422485 /nfs/dbraw/zinc/42/24/85/1092422485.db2.gz ORKWKMLROABSLC-HNNXBMFYSA-N 2 2 318.436 3.062 20 0 DGADLP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648644 1092440633 /nfs/dbraw/zinc/44/06/33/1092440633.db2.gz LBWZDMMZFPRGJV-QGZVFWFLSA-N 2 2 317.477 3.391 20 0 DGADLP c1c(CCNc2cc(OCC3CC3)cc[nH+]2)[nH+]c2ccccn12 ZINC001169004986 1092483316 /nfs/dbraw/zinc/48/33/16/1092483316.db2.gz KVPLIJBJKROZPJ-UHFFFAOYSA-N 2 2 308.385 3.173 20 0 DGADLP Cc1ncc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001203121210 1092487181 /nfs/dbraw/zinc/48/71/81/1092487181.db2.gz LKKPPMAWOYALAI-UHFFFAOYSA-N 2 2 302.466 3.014 20 0 DGADLP Cc1ncc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001203121210 1092487189 /nfs/dbraw/zinc/48/71/89/1092487189.db2.gz LKKPPMAWOYALAI-UHFFFAOYSA-N 2 2 302.466 3.014 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001169078397 1092533872 /nfs/dbraw/zinc/53/38/72/1092533872.db2.gz DYWYRIQFHVDUJL-BTTYYORXSA-N 2 2 314.351 3.300 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001169078397 1092533883 /nfs/dbraw/zinc/53/38/83/1092533883.db2.gz DYWYRIQFHVDUJL-BTTYYORXSA-N 2 2 314.351 3.300 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001169123049 1092545685 /nfs/dbraw/zinc/54/56/85/1092545685.db2.gz IGZHBKMCHQWGBL-FFGOWVMKSA-N 3 2 317.521 3.022 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001169123049 1092545693 /nfs/dbraw/zinc/54/56/93/1092545693.db2.gz IGZHBKMCHQWGBL-FFGOWVMKSA-N 3 2 317.521 3.022 20 0 DGADLP C[N@H+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124488 1092545852 /nfs/dbraw/zinc/54/58/52/1092545852.db2.gz DCTHCWGGBNUXHO-CLLJXQQHSA-N 2 2 313.367 3.157 20 0 DGADLP C[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124488 1092545860 /nfs/dbraw/zinc/54/58/60/1092545860.db2.gz DCTHCWGGBNUXHO-CLLJXQQHSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124488 1092545871 /nfs/dbraw/zinc/54/58/71/1092545871.db2.gz DCTHCWGGBNUXHO-CLLJXQQHSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124488 1092545878 /nfs/dbraw/zinc/54/58/78/1092545878.db2.gz DCTHCWGGBNUXHO-CLLJXQQHSA-N 2 2 313.367 3.157 20 0 DGADLP CSc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169138266 1092548934 /nfs/dbraw/zinc/54/89/34/1092548934.db2.gz OYDXHAOBSADWNS-LRDDRELGSA-N 2 2 308.495 3.463 20 0 DGADLP CC1(C)C[C@H](Nc2[nH+]cnc3[nH]cc(F)c32)C[C@](C)(C[NH3+])C1 ZINC001169135646 1092549304 /nfs/dbraw/zinc/54/93/04/1092549304.db2.gz CHOPOFMCRUXIFZ-QFYYESIMSA-N 2 2 305.401 3.053 20 0 DGADLP COCCOc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169154046 1092567853 /nfs/dbraw/zinc/56/78/53/1092567853.db2.gz VSUQZVJAILAWNY-QAPCUYQASA-N 2 2 321.465 3.062 20 0 DGADLP CC1(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CCCCC1 ZINC001208900946 1092575190 /nfs/dbraw/zinc/57/51/90/1092575190.db2.gz WILSANOSETVADU-QZTJIDSGSA-N 2 2 313.489 3.416 20 0 DGADLP CCC(=O)C(C)(C)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208917580 1092586096 /nfs/dbraw/zinc/58/60/96/1092586096.db2.gz GVGCBIXUFZWDTB-HUUCEWRRSA-N 2 2 320.502 3.117 20 0 DGADLP C[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929452 1092589609 /nfs/dbraw/zinc/58/96/09/1092589609.db2.gz SIGPFHRZZDKVOZ-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929452 1092589619 /nfs/dbraw/zinc/58/96/19/1092589619.db2.gz SIGPFHRZZDKVOZ-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929452 1092589628 /nfs/dbraw/zinc/58/96/28/1092589628.db2.gz SIGPFHRZZDKVOZ-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929452 1092589634 /nfs/dbraw/zinc/58/96/34/1092589634.db2.gz SIGPFHRZZDKVOZ-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208939861 1092600911 /nfs/dbraw/zinc/60/09/11/1092600911.db2.gz KIIZZGPNGAZVRM-LJQANCHMSA-N 2 2 321.468 3.393 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208939861 1092600916 /nfs/dbraw/zinc/60/09/16/1092600916.db2.gz KIIZZGPNGAZVRM-LJQANCHMSA-N 2 2 321.468 3.393 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC34CCC4)C2)cc1 ZINC001208940074 1092602168 /nfs/dbraw/zinc/60/21/68/1092602168.db2.gz OMESETILMMGMLZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC34CCC4)C2)cc1 ZINC001208940074 1092602172 /nfs/dbraw/zinc/60/21/72/1092602172.db2.gz OMESETILMMGMLZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCOCC34CCC4)C2)cc1 ZINC001208940074 1092602182 /nfs/dbraw/zinc/60/21/82/1092602182.db2.gz OMESETILMMGMLZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCOCC34CCC4)C2)cc1 ZINC001208940074 1092602186 /nfs/dbraw/zinc/60/21/86/1092602186.db2.gz OMESETILMMGMLZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001169230891 1092603360 /nfs/dbraw/zinc/60/33/60/1092603360.db2.gz NKNZTSLOHUVUSB-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP FC1(F)CC2(C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208948307 1092605435 /nfs/dbraw/zinc/60/54/35/1092605435.db2.gz PNBHAVBVSPCIES-MRXNPFEDSA-N 2 2 306.400 3.240 20 0 DGADLP FC1(F)CC2(C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208948307 1092605439 /nfs/dbraw/zinc/60/54/39/1092605439.db2.gz PNBHAVBVSPCIES-MRXNPFEDSA-N 2 2 306.400 3.240 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001169258928 1092621110 /nfs/dbraw/zinc/62/11/10/1092621110.db2.gz UTPDGRHFYSVZEB-KRWDZBQOSA-N 2 2 318.461 3.023 20 0 DGADLP CC[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001169258928 1092621116 /nfs/dbraw/zinc/62/11/16/1092621116.db2.gz UTPDGRHFYSVZEB-KRWDZBQOSA-N 2 2 318.461 3.023 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209094948 1092649298 /nfs/dbraw/zinc/64/92/98/1092649298.db2.gz MSSDBORBPZJMAK-GOSISDBHSA-N 2 2 324.509 3.450 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209094948 1092649307 /nfs/dbraw/zinc/64/93/07/1092649307.db2.gz MSSDBORBPZJMAK-GOSISDBHSA-N 2 2 324.509 3.450 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209094948 1092649316 /nfs/dbraw/zinc/64/93/16/1092649316.db2.gz MSSDBORBPZJMAK-GOSISDBHSA-N 2 2 324.509 3.450 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209094948 1092649325 /nfs/dbraw/zinc/64/93/25/1092649325.db2.gz MSSDBORBPZJMAK-GOSISDBHSA-N 2 2 324.509 3.450 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC001209148515 1092672811 /nfs/dbraw/zinc/67/28/11/1092672811.db2.gz CYVXRRSLKKAOMI-GOSISDBHSA-N 2 2 324.424 3.021 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC001209148515 1092672817 /nfs/dbraw/zinc/67/28/17/1092672817.db2.gz CYVXRRSLKKAOMI-GOSISDBHSA-N 2 2 324.424 3.021 20 0 DGADLP C[N@H+](CCCc1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209183381 1092684316 /nfs/dbraw/zinc/68/43/16/1092684316.db2.gz DPLASOHYUOHYFM-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP C[N@@H+](CCCc1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209183381 1092684322 /nfs/dbraw/zinc/68/43/22/1092684322.db2.gz DPLASOHYUOHYFM-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC001209400822 1092758255 /nfs/dbraw/zinc/75/82/55/1092758255.db2.gz CHKBHLSQHDSNJC-YQQAZPJKSA-N 2 2 304.434 3.047 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC001209400822 1092758263 /nfs/dbraw/zinc/75/82/63/1092758263.db2.gz CHKBHLSQHDSNJC-YQQAZPJKSA-N 2 2 304.434 3.047 20 0 DGADLP C[C@@H]1C[C@@H]1C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209420177 1092767811 /nfs/dbraw/zinc/76/78/11/1092767811.db2.gz CLVQQLPWRCCMOW-GHMZBOCLSA-N 2 2 320.234 3.152 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206633596 1092771297 /nfs/dbraw/zinc/77/12/97/1092771297.db2.gz YRAGHMHKOLXXIO-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Cl ZINC001206633596 1092771303 /nfs/dbraw/zinc/77/13/03/1092771303.db2.gz YRAGHMHKOLXXIO-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP Cc1[nH]ncc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209557420 1092820845 /nfs/dbraw/zinc/82/08/45/1092820845.db2.gz RRUWAIZVRNPCGU-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP Cc1[nH]ncc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001209557420 1092820857 /nfs/dbraw/zinc/82/08/57/1092820857.db2.gz RRUWAIZVRNPCGU-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP Nc1cc[nH+]cc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC001209735150 1092897114 /nfs/dbraw/zinc/89/71/14/1092897114.db2.gz WIHCCIRJQXTHDH-UHFFFAOYSA-N 2 2 317.820 3.191 20 0 DGADLP Cc1cc(N)[nH+]cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001209966981 1092997144 /nfs/dbraw/zinc/99/71/44/1092997144.db2.gz KSIFFGBKAJNWEX-UHFFFAOYSA-N 2 2 318.178 3.126 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679698 1093066771 /nfs/dbraw/zinc/06/67/71/1093066771.db2.gz SQJTXIMXFDWYRA-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679698 1093066780 /nfs/dbraw/zinc/06/67/80/1093066780.db2.gz SQJTXIMXFDWYRA-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679698 1093066788 /nfs/dbraw/zinc/06/67/88/1093066788.db2.gz SQJTXIMXFDWYRA-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679698 1093066797 /nfs/dbraw/zinc/06/67/97/1093066797.db2.gz SQJTXIMXFDWYRA-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001210561528 1093211858 /nfs/dbraw/zinc/21/18/58/1093211858.db2.gz ORLWCCKDEXZZQX-UHFFFAOYSA-N 2 2 302.368 3.283 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695343 1093396105 /nfs/dbraw/zinc/39/61/05/1093396105.db2.gz ACMVDFQTYVZQPK-QRVBRYPASA-N 2 2 320.521 3.290 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695343 1093396113 /nfs/dbraw/zinc/39/61/13/1093396113.db2.gz ACMVDFQTYVZQPK-QRVBRYPASA-N 2 2 320.521 3.290 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695343 1093396122 /nfs/dbraw/zinc/39/61/22/1093396122.db2.gz ACMVDFQTYVZQPK-QRVBRYPASA-N 2 2 320.521 3.290 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695343 1093396129 /nfs/dbraw/zinc/39/61/29/1093396129.db2.gz ACMVDFQTYVZQPK-QRVBRYPASA-N 2 2 320.521 3.290 20 0 DGADLP CCCCC[C@H]([NH2+]C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218848241 1094883910 /nfs/dbraw/zinc/88/39/10/1094883910.db2.gz POROEGMSQIMUMB-KRWDZBQOSA-N 2 2 314.433 3.038 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001337239974 1094907368 /nfs/dbraw/zinc/90/73/68/1094907368.db2.gz SXOQRFVXGMSYCO-HNNXBMFYSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001337239974 1094907379 /nfs/dbraw/zinc/90/73/79/1094907379.db2.gz SXOQRFVXGMSYCO-HNNXBMFYSA-N 2 2 321.896 3.324 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246090546 1095008308 /nfs/dbraw/zinc/00/83/08/1095008308.db2.gz BBHVBXSWVPHVCF-XDTLVQLUSA-N 2 2 305.224 3.214 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170956267 1095016205 /nfs/dbraw/zinc/01/62/05/1095016205.db2.gz VFMPCBQBOLEXMP-DOTOQJQBSA-N 2 2 304.453 3.393 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001170967869 1095045414 /nfs/dbraw/zinc/04/54/14/1095045414.db2.gz BNELLLNFWDHVEU-IRXDYDNUSA-N 2 2 302.437 3.147 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001170967869 1095045426 /nfs/dbraw/zinc/04/54/26/1095045426.db2.gz BNELLLNFWDHVEU-IRXDYDNUSA-N 2 2 302.437 3.147 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccsc2Br)CC[NH2+]1 ZINC001246250093 1095139842 /nfs/dbraw/zinc/13/98/42/1095139842.db2.gz OSFQLWKHCUJAJO-NEPJUHHUSA-N 2 2 317.296 3.377 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001171107323 1095387188 /nfs/dbraw/zinc/38/71/88/1095387188.db2.gz APOYMCBQAXJZQA-MSOLQXFVSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001171107323 1095387202 /nfs/dbraw/zinc/38/72/02/1095387202.db2.gz APOYMCBQAXJZQA-MSOLQXFVSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001171113867 1095411150 /nfs/dbraw/zinc/41/11/50/1095411150.db2.gz XBLOMVFSBIDCHV-MRXNPFEDSA-N 2 2 302.805 3.261 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OCCn1cc[nH+]c1 ZINC001222134659 1095449588 /nfs/dbraw/zinc/44/95/88/1095449588.db2.gz JKCJBEYIUSHVLG-GOSISDBHSA-N 2 2 313.445 3.200 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OCCn1cc[nH+]c1 ZINC001222134659 1095449591 /nfs/dbraw/zinc/44/95/91/1095449591.db2.gz JKCJBEYIUSHVLG-GOSISDBHSA-N 2 2 313.445 3.200 20 0 DGADLP Brc1cccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222140989 1095453435 /nfs/dbraw/zinc/45/34/35/1095453435.db2.gz BEKVJGWCXHTLBR-MRXNPFEDSA-N 2 2 323.278 3.067 20 0 DGADLP Brc1cccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222140989 1095453440 /nfs/dbraw/zinc/45/34/40/1095453440.db2.gz BEKVJGWCXHTLBR-MRXNPFEDSA-N 2 2 323.278 3.067 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222148107 1095457671 /nfs/dbraw/zinc/45/76/71/1095457671.db2.gz KKTZRXYKMQUFHP-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222148107 1095457677 /nfs/dbraw/zinc/45/76/77/1095457677.db2.gz KKTZRXYKMQUFHP-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1Br ZINC001222147848 1095457794 /nfs/dbraw/zinc/45/77/94/1095457794.db2.gz BZELGYSFGAHDLZ-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1Br ZINC001222147848 1095457797 /nfs/dbraw/zinc/45/77/97/1095457797.db2.gz BZELGYSFGAHDLZ-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Clc1ccnc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160726 1095466764 /nfs/dbraw/zinc/46/67/64/1095466764.db2.gz IEWBAKBXVFUYDO-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccnc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160726 1095466771 /nfs/dbraw/zinc/46/67/71/1095466771.db2.gz IEWBAKBXVFUYDO-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Oc1cccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001222168223 1095476159 /nfs/dbraw/zinc/47/61/59/1095476159.db2.gz YDGVCOVHTHSEEE-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001222168223 1095476167 /nfs/dbraw/zinc/47/61/67/1095476167.db2.gz YDGVCOVHTHSEEE-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP Nc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173591 1095478998 /nfs/dbraw/zinc/47/89/98/1095478998.db2.gz VQMPIOZKIIFWDQ-GOSISDBHSA-N 2 2 323.431 3.293 20 0 DGADLP Nc1cc(F)c(F)cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173591 1095479004 /nfs/dbraw/zinc/47/90/04/1095479004.db2.gz VQMPIOZKIIFWDQ-GOSISDBHSA-N 2 2 323.431 3.293 20 0 DGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237382 1095505882 /nfs/dbraw/zinc/50/58/82/1095505882.db2.gz HJRVTWHOQXZFGO-HNNXBMFYSA-N 2 2 314.351 3.303 20 0 DGADLP FC(F)(F)Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237382 1095505897 /nfs/dbraw/zinc/50/58/97/1095505897.db2.gz HJRVTWHOQXZFGO-HNNXBMFYSA-N 2 2 314.351 3.303 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1Cl ZINC001222265257 1095520192 /nfs/dbraw/zinc/52/01/92/1095520192.db2.gz QGHQZDACDGINPU-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1Cl ZINC001222265257 1095520205 /nfs/dbraw/zinc/52/02/05/1095520205.db2.gz QGHQZDACDGINPU-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP c1nc2cccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2s1 ZINC001222272319 1095522993 /nfs/dbraw/zinc/52/29/93/1095522993.db2.gz QVEZMIBZBFIZCA-KRWDZBQOSA-N 2 2 301.459 3.262 20 0 DGADLP c1nc2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)c2s1 ZINC001222272319 1095523004 /nfs/dbraw/zinc/52/30/04/1095523004.db2.gz QVEZMIBZBFIZCA-KRWDZBQOSA-N 2 2 301.459 3.262 20 0 DGADLP CCc1cc(C[NH+]2CCC([NH+]3CCC3)CC2)cc(CC)c1O ZINC001144150277 1095536228 /nfs/dbraw/zinc/53/62/28/1095536228.db2.gz ZXESHDIASPZWRT-UHFFFAOYSA-N 2 2 302.462 3.187 20 0 DGADLP Clc1ccc2n[nH]c(C[N@@H+]3CCC[C@]34CCC[NH2+]CC4)c2c1 ZINC001222310873 1095543000 /nfs/dbraw/zinc/54/30/00/1095543000.db2.gz XINZIONXJWQHCR-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2n[nH]c(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c2c1 ZINC001222310873 1095543007 /nfs/dbraw/zinc/54/30/07/1095543007.db2.gz XINZIONXJWQHCR-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2[nH]nc(C[N@@H+]3CCC[C@]34CCC[NH2+]CC4)c2c1 ZINC001222310873 1095543015 /nfs/dbraw/zinc/54/30/15/1095543015.db2.gz XINZIONXJWQHCR-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2[nH]nc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)c2c1 ZINC001222310873 1095543019 /nfs/dbraw/zinc/54/30/19/1095543019.db2.gz XINZIONXJWQHCR-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116444766 1095556133 /nfs/dbraw/zinc/55/61/33/1095556133.db2.gz GHPWCCJQQWIRMG-AWEZNQCLSA-N 2 2 316.474 3.485 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116444766 1095556143 /nfs/dbraw/zinc/55/61/43/1095556143.db2.gz GHPWCCJQQWIRMG-AWEZNQCLSA-N 2 2 316.474 3.485 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)nc1 ZINC001222353882 1095568828 /nfs/dbraw/zinc/56/88/28/1095568828.db2.gz KGAFJOMKJVKWJU-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2)nc1 ZINC001222353882 1095568840 /nfs/dbraw/zinc/56/88/40/1095568840.db2.gz KGAFJOMKJVKWJU-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)nc1 ZINC001222354300 1095570547 /nfs/dbraw/zinc/57/05/47/1095570547.db2.gz MTLUCQMEPDELFA-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)nc1 ZINC001222354300 1095570557 /nfs/dbraw/zinc/57/05/57/1095570557.db2.gz MTLUCQMEPDELFA-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1C ZINC001222385532 1095584293 /nfs/dbraw/zinc/58/42/93/1095584293.db2.gz PNNHLQZUAQMISP-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1C ZINC001222385532 1095584303 /nfs/dbraw/zinc/58/43/03/1095584303.db2.gz PNNHLQZUAQMISP-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc(N2CCCC2)c1 ZINC001222396264 1095592532 /nfs/dbraw/zinc/59/25/32/1095592532.db2.gz PVMYPNWATZLFFF-HXUWFJFHSA-N 2 2 313.489 3.395 20 0 DGADLP c1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc(N2CCCC2)c1 ZINC001222396264 1095592540 /nfs/dbraw/zinc/59/25/40/1095592540.db2.gz PVMYPNWATZLFFF-HXUWFJFHSA-N 2 2 313.489 3.395 20 0 DGADLP c1cc(-c2cccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2)n[nH]1 ZINC001222401499 1095595635 /nfs/dbraw/zinc/59/56/35/1095595635.db2.gz UDGFUFALJMIAEH-LJQANCHMSA-N 2 2 310.445 3.185 20 0 DGADLP c1cc(-c2cccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2)n[nH]1 ZINC001222401499 1095595642 /nfs/dbraw/zinc/59/56/42/1095595642.db2.gz UDGFUFALJMIAEH-LJQANCHMSA-N 2 2 310.445 3.185 20 0 DGADLP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222422089 1095606031 /nfs/dbraw/zinc/60/60/31/1095606031.db2.gz RPRRWUCWMSYGBX-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222422089 1095606037 /nfs/dbraw/zinc/60/60/37/1095606037.db2.gz RPRRWUCWMSYGBX-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC001116602884 1095613931 /nfs/dbraw/zinc/61/39/31/1095613931.db2.gz FNEZELZBNGLPSU-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001116602884 1095613938 /nfs/dbraw/zinc/61/39/38/1095613938.db2.gz FNEZELZBNGLPSU-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222477592 1095634620 /nfs/dbraw/zinc/63/46/20/1095634620.db2.gz NNTQKJSMSGMCML-IBGZPJMESA-N 2 2 302.462 3.419 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222477592 1095634624 /nfs/dbraw/zinc/63/46/24/1095634624.db2.gz NNTQKJSMSGMCML-IBGZPJMESA-N 2 2 302.462 3.419 20 0 DGADLP [NH3+]CC1(F)CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001222542870 1095659143 /nfs/dbraw/zinc/65/91/43/1095659143.db2.gz LWJTULRNPSTSQZ-UHFFFAOYSA-N 2 2 309.187 3.395 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC001116845535 1095678118 /nfs/dbraw/zinc/67/81/18/1095678118.db2.gz UMJWKBZOIAAMNB-FUHWJXTLSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC001116845535 1095678124 /nfs/dbraw/zinc/67/81/24/1095678124.db2.gz UMJWKBZOIAAMNB-FUHWJXTLSA-N 2 2 309.457 3.405 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001137881675 1095777033 /nfs/dbraw/zinc/77/70/33/1095777033.db2.gz ZVSYFHOTGRLYPB-UHFFFAOYSA-N 2 2 302.796 3.392 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC001118411234 1096000985 /nfs/dbraw/zinc/00/09/85/1096000985.db2.gz XIJWGSWHUSQTBK-QGZVFWFLSA-N 2 2 314.408 3.373 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccnc(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC001118804422 1096082028 /nfs/dbraw/zinc/08/20/28/1096082028.db2.gz KBYDKQWGSCWPOS-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccnc(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC001118804422 1096082038 /nfs/dbraw/zinc/08/20/38/1096082038.db2.gz KBYDKQWGSCWPOS-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP c1ccc(N2CCCC2)c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001118884440 1096099566 /nfs/dbraw/zinc/09/95/66/1096099566.db2.gz YDDMKLYWWCAJFF-IBGZPJMESA-N 2 2 313.489 3.393 20 0 DGADLP c1ccc(N2CCCC2)c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001118884440 1096099579 /nfs/dbraw/zinc/09/95/79/1096099579.db2.gz YDDMKLYWWCAJFF-IBGZPJMESA-N 2 2 313.489 3.393 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC001119241860 1096142757 /nfs/dbraw/zinc/14/27/57/1096142757.db2.gz NPVGWIXMGDTNIK-MRXNPFEDSA-N 2 2 322.456 3.367 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001119241860 1096142761 /nfs/dbraw/zinc/14/27/61/1096142761.db2.gz NPVGWIXMGDTNIK-MRXNPFEDSA-N 2 2 322.456 3.367 20 0 DGADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cccc(C)[nH+]1 ZINC001276980533 1096237560 /nfs/dbraw/zinc/23/75/60/1096237560.db2.gz BRHMJTXZJCLOCC-GJZGRUSLSA-N 2 2 314.458 3.008 20 0 DGADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2c1cccc(C)[nH+]1 ZINC001276980533 1096237569 /nfs/dbraw/zinc/23/75/69/1096237569.db2.gz BRHMJTXZJCLOCC-GJZGRUSLSA-N 2 2 314.458 3.008 20 0 DGADLP C[NH+]1CCN(c2ccc([NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC001119700940 1096249197 /nfs/dbraw/zinc/24/91/97/1096249197.db2.gz LWDZIGZDGBQORP-ZNXRZULTSA-N 2 2 317.502 3.277 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC001171315440 1096277812 /nfs/dbraw/zinc/27/78/12/1096277812.db2.gz IPMHDNDYXJTJFL-CQSZACIVSA-N 2 2 322.880 3.232 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC001171315440 1096277818 /nfs/dbraw/zinc/27/78/18/1096277818.db2.gz IPMHDNDYXJTJFL-CQSZACIVSA-N 2 2 322.880 3.232 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381244 1096617952 /nfs/dbraw/zinc/61/79/52/1096617952.db2.gz RJAQNCCWIFKDHZ-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381244 1096617956 /nfs/dbraw/zinc/61/79/56/1096617956.db2.gz RJAQNCCWIFKDHZ-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171389424 1096646620 /nfs/dbraw/zinc/64/66/20/1096646620.db2.gz UMBKCCCFNCUZDL-MRXNPFEDSA-N 2 2 317.383 3.356 20 0 DGADLP Fc1cccc2c1CC[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001171396159 1096657557 /nfs/dbraw/zinc/65/75/57/1096657557.db2.gz KIEXQFBYSKTDMZ-IBGZPJMESA-N 2 2 324.443 3.405 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546969 1096911728 /nfs/dbraw/zinc/91/17/28/1096911728.db2.gz NDOQIQGJCGEJIQ-CYBMUJFWSA-N 2 2 323.362 3.180 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546969 1096911734 /nfs/dbraw/zinc/91/17/34/1096911734.db2.gz NDOQIQGJCGEJIQ-CYBMUJFWSA-N 2 2 323.362 3.180 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cncnc2C(C)(C)F)CC1(C)C ZINC001171625352 1096937909 /nfs/dbraw/zinc/93/79/09/1096937909.db2.gz IHQKWBCQWSRVGS-UHFFFAOYSA-N 2 2 322.472 3.422 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001171727709 1096956158 /nfs/dbraw/zinc/95/61/58/1096956158.db2.gz GBWLGMJNUZLBJT-LEAZDLGRSA-N 2 2 315.505 3.112 20 0 DGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2Cc3cccc(F)c3C2)c1 ZINC001171790489 1096979408 /nfs/dbraw/zinc/97/94/08/1096979408.db2.gz MIXGJKYFRAZTKM-MRXNPFEDSA-N 2 2 307.372 3.488 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972878 1097022360 /nfs/dbraw/zinc/02/23/60/1097022360.db2.gz TWZJTQYWCHJHBS-LJQANCHMSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972878 1097022366 /nfs/dbraw/zinc/02/23/66/1097022366.db2.gz TWZJTQYWCHJHBS-LJQANCHMSA-N 2 2 324.472 3.318 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCOC3(CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171986942 1097029895 /nfs/dbraw/zinc/02/98/95/1097029895.db2.gz NHUHVNCAWYIFQE-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCOC3(CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171986942 1097029900 /nfs/dbraw/zinc/02/99/00/1097029900.db2.gz NHUHVNCAWYIFQE-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCOC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171986942 1097029903 /nfs/dbraw/zinc/02/99/03/1097029903.db2.gz NHUHVNCAWYIFQE-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCOC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171986942 1097029909 /nfs/dbraw/zinc/02/99/09/1097029909.db2.gz NHUHVNCAWYIFQE-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077483 1097037822 /nfs/dbraw/zinc/03/78/22/1097037822.db2.gz UJGHMOPXYJJKTI-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077483 1097037825 /nfs/dbraw/zinc/03/78/25/1097037825.db2.gz UJGHMOPXYJJKTI-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077483 1097037829 /nfs/dbraw/zinc/03/78/29/1097037829.db2.gz UJGHMOPXYJJKTI-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077483 1097037833 /nfs/dbraw/zinc/03/78/33/1097037833.db2.gz UJGHMOPXYJJKTI-IJXRJRJASA-N 3 2 315.505 3.099 20 0 DGADLP Cn1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172067959 1097046218 /nfs/dbraw/zinc/04/62/18/1097046218.db2.gz OQMMFXZTHWAWAE-FNLKRUPLSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172067959 1097046223 /nfs/dbraw/zinc/04/62/23/1097046223.db2.gz OQMMFXZTHWAWAE-FNLKRUPLSA-N 2 2 324.472 3.095 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172105338 1097054985 /nfs/dbraw/zinc/05/49/85/1097054985.db2.gz HNVRLRHMFXTZNB-XYYAHUGASA-N 2 2 310.388 3.078 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172105338 1097054989 /nfs/dbraw/zinc/05/49/89/1097054989.db2.gz HNVRLRHMFXTZNB-XYYAHUGASA-N 2 2 310.388 3.078 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172112785 1097055197 /nfs/dbraw/zinc/05/51/97/1097055197.db2.gz CKQSQRYCDKBPBJ-OWZKRDHZSA-N 3 2 319.537 3.246 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172112785 1097055202 /nfs/dbraw/zinc/05/52/02/1097055202.db2.gz CKQSQRYCDKBPBJ-OWZKRDHZSA-N 3 2 319.537 3.246 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1cccnn1)C2 ZINC001172113835 1097060763 /nfs/dbraw/zinc/06/07/63/1097060763.db2.gz NATJGLXKTKCQMB-FTEYMNFISA-N 2 2 322.456 3.171 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1cccnn1)C2 ZINC001172113835 1097060767 /nfs/dbraw/zinc/06/07/67/1097060767.db2.gz NATJGLXKTKCQMB-FTEYMNFISA-N 2 2 322.456 3.171 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119340 1097064192 /nfs/dbraw/zinc/06/41/92/1097064192.db2.gz YRVZPFMAMMAINL-FQLMCAECSA-N 2 2 322.399 3.393 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119340 1097064199 /nfs/dbraw/zinc/06/41/99/1097064199.db2.gz YRVZPFMAMMAINL-FQLMCAECSA-N 2 2 322.399 3.393 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123490 1097066655 /nfs/dbraw/zinc/06/66/55/1097066655.db2.gz DKUDRTDYHPQTKY-KNJMJIDISA-N 3 2 319.537 3.341 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123490 1097066662 /nfs/dbraw/zinc/06/66/62/1097066662.db2.gz DKUDRTDYHPQTKY-KNJMJIDISA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123490 1097066668 /nfs/dbraw/zinc/06/66/68/1097066668.db2.gz DKUDRTDYHPQTKY-KNJMJIDISA-N 3 2 319.537 3.341 20 0 DGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220682 1097079556 /nfs/dbraw/zinc/07/95/56/1097079556.db2.gz BGRRPKPUFQPRHY-IHWFROFDSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220682 1097079562 /nfs/dbraw/zinc/07/95/62/1097079562.db2.gz BGRRPKPUFQPRHY-IHWFROFDSA-N 2 2 314.473 3.293 20 0 DGADLP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CS2 ZINC001172197370 1097085199 /nfs/dbraw/zinc/08/51/99/1097085199.db2.gz KEHUBTITPRODMI-HZPDHXFCSA-N 2 2 302.487 3.310 20 0 DGADLP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CS2 ZINC001172197370 1097085204 /nfs/dbraw/zinc/08/52/04/1097085204.db2.gz KEHUBTITPRODMI-HZPDHXFCSA-N 2 2 302.487 3.310 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@@H]1F ZINC001206163397 1097086630 /nfs/dbraw/zinc/08/66/30/1097086630.db2.gz CEKHLKALILAWIG-AAEUAGOBSA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@@H]1F ZINC001206163397 1097086635 /nfs/dbraw/zinc/08/66/35/1097086635.db2.gz CEKHLKALILAWIG-AAEUAGOBSA-N 2 2 308.294 3.106 20 0 DGADLP COCCC[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC001172245605 1097090249 /nfs/dbraw/zinc/09/02/49/1097090249.db2.gz XTGUHTBWEFZLNJ-UHFFFAOYSA-N 2 2 322.880 3.420 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(Br)c1 ZINC001206163851 1097093515 /nfs/dbraw/zinc/09/35/15/1097093515.db2.gz GRRCTUQTUGWUBC-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(Br)c1 ZINC001206163851 1097093520 /nfs/dbraw/zinc/09/35/20/1097093520.db2.gz GRRCTUQTUGWUBC-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP CC[C@@H](C)OCC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172344320 1097119115 /nfs/dbraw/zinc/11/91/15/1097119115.db2.gz ANAKPBWFWODATR-HZPDHXFCSA-N 2 2 305.466 3.234 20 0 DGADLP CCOCC[C@H](C)[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001172406653 1097130754 /nfs/dbraw/zinc/13/07/54/1097130754.db2.gz OOFGNNKZWPBTRM-SFHVURJKSA-N 2 2 318.505 3.346 20 0 DGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CCOC(C)C)CC1 ZINC001172436855 1097153034 /nfs/dbraw/zinc/15/30/34/1097153034.db2.gz JQTZLITYSOTXOH-INIZCTEOSA-N 2 2 320.477 3.149 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](C)C[NH+](C)C ZINC001172577592 1097196922 /nfs/dbraw/zinc/19/69/22/1097196922.db2.gz VNMQVMLTWUSYRF-QWRGUYRKSA-N 2 2 304.812 3.479 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001172716085 1097213489 /nfs/dbraw/zinc/21/34/89/1097213489.db2.gz KRXAAFHVZRHXII-ZWKOTPCHSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001172716085 1097213493 /nfs/dbraw/zinc/21/34/93/1097213493.db2.gz KRXAAFHVZRHXII-ZWKOTPCHSA-N 2 2 304.865 3.271 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863154 1097266716 /nfs/dbraw/zinc/26/67/16/1097266716.db2.gz UQMMZOVSSWCVFU-MCIONIFRSA-N 2 2 310.844 3.294 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863154 1097266720 /nfs/dbraw/zinc/26/67/20/1097266720.db2.gz UQMMZOVSSWCVFU-MCIONIFRSA-N 2 2 310.844 3.294 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863154 1097266722 /nfs/dbraw/zinc/26/67/22/1097266722.db2.gz UQMMZOVSSWCVFU-MCIONIFRSA-N 2 2 310.844 3.294 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172863154 1097266723 /nfs/dbraw/zinc/26/67/23/1097266723.db2.gz UQMMZOVSSWCVFU-MCIONIFRSA-N 2 2 310.844 3.294 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172922324 1097281733 /nfs/dbraw/zinc/28/17/33/1097281733.db2.gz HIGYRESSEZZWAM-UFYCRDLUSA-N 2 2 316.489 3.241 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001172928101 1097283320 /nfs/dbraw/zinc/28/33/20/1097283320.db2.gz INHDVVXUVKGBQH-FHWLQOOXSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001172928101 1097283323 /nfs/dbraw/zinc/28/33/23/1097283323.db2.gz INHDVVXUVKGBQH-FHWLQOOXSA-N 2 2 302.462 3.198 20 0 DGADLP CCSC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001173305989 1097406050 /nfs/dbraw/zinc/40/60/50/1097406050.db2.gz WWKKQDHTTKVUJU-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001173305989 1097406054 /nfs/dbraw/zinc/40/60/54/1097406054.db2.gz WWKKQDHTTKVUJU-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001173305989 1097406056 /nfs/dbraw/zinc/40/60/56/1097406056.db2.gz WWKKQDHTTKVUJU-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001173305989 1097406059 /nfs/dbraw/zinc/40/60/59/1097406059.db2.gz WWKKQDHTTKVUJU-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP COC(=O)CCCC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001173447093 1097441709 /nfs/dbraw/zinc/44/17/09/1097441709.db2.gz BRBBJCXXFSCZSY-AWEZNQCLSA-N 2 2 315.417 3.303 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173473592 1097444033 /nfs/dbraw/zinc/44/40/33/1097444033.db2.gz FEMORCDUGBFQPJ-ZDUSSCGKSA-N 2 2 308.416 3.142 20 0 DGADLP COC(=O)CCCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173456291 1097452322 /nfs/dbraw/zinc/45/23/22/1097452322.db2.gz BNXSJMCDFVUVHX-MRXNPFEDSA-N 2 2 324.509 3.447 20 0 DGADLP COC(=O)CCCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173456291 1097452323 /nfs/dbraw/zinc/45/23/23/1097452323.db2.gz BNXSJMCDFVUVHX-MRXNPFEDSA-N 2 2 324.509 3.447 20 0 DGADLP Nc1cc[nH+]c(-c2cc(Nc3cc[nH+]c4ccccc34)ccn2)c1 ZINC001174039611 1097597401 /nfs/dbraw/zinc/59/74/01/1097597401.db2.gz XTONEEPXAIVWEL-UHFFFAOYSA-N 2 2 313.364 3.440 20 0 DGADLP Oc1cc2c(cc1O[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC[NH+]=C2 ZINC001230916031 1097622679 /nfs/dbraw/zinc/62/26/79/1097622679.db2.gz VNOLECJBSURHMG-GOSISDBHSA-N 2 2 322.408 3.021 20 0 DGADLP Oc1cc2c(cc1O[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC[NH+]=C2 ZINC001230916031 1097622691 /nfs/dbraw/zinc/62/26/91/1097622691.db2.gz VNOLECJBSURHMG-GOSISDBHSA-N 2 2 322.408 3.021 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001231445461 1097752019 /nfs/dbraw/zinc/75/20/19/1097752019.db2.gz XMRCXXXJATVVPU-PZJWPPBQSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001231445461 1097752024 /nfs/dbraw/zinc/75/20/24/1097752024.db2.gz XMRCXXXJATVVPU-PZJWPPBQSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)ccc2c1 ZINC001231445461 1097752030 /nfs/dbraw/zinc/75/20/30/1097752030.db2.gz XMRCXXXJATVVPU-PZJWPPBQSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)ccc2c1 ZINC001231445461 1097752035 /nfs/dbraw/zinc/75/20/35/1097752035.db2.gz XMRCXXXJATVVPU-PZJWPPBQSA-N 2 2 323.484 3.432 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(OCCCOC)cc2)CC1 ZINC001231507894 1097768438 /nfs/dbraw/zinc/76/84/38/1097768438.db2.gz IKNAGYARFPPQGR-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(OCCCOC)cc2)CC1 ZINC001231507894 1097768441 /nfs/dbraw/zinc/76/84/41/1097768441.db2.gz IKNAGYARFPPQGR-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP O=C(C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1)c1cccs1 ZINC001277538907 1097785175 /nfs/dbraw/zinc/78/51/75/1097785175.db2.gz SCXWIMJPQUFEGD-UHFFFAOYSA-N 2 2 318.486 3.271 20 0 DGADLP COCc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001231690987 1097816137 /nfs/dbraw/zinc/81/61/37/1097816137.db2.gz IXQZOPSJLFWZOC-MRXNPFEDSA-N 2 2 306.450 3.266 20 0 DGADLP COCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001231690987 1097816143 /nfs/dbraw/zinc/81/61/43/1097816143.db2.gz IXQZOPSJLFWZOC-MRXNPFEDSA-N 2 2 306.450 3.266 20 0 DGADLP CCOc1ncccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231765298 1097834603 /nfs/dbraw/zinc/83/46/03/1097834603.db2.gz RHCNVHXAINQSOK-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1ncccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231765298 1097834613 /nfs/dbraw/zinc/83/46/13/1097834613.db2.gz RHCNVHXAINQSOK-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP Cc1cn2cccc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c2[nH+]1 ZINC001174816446 1097846728 /nfs/dbraw/zinc/84/67/28/1097846728.db2.gz VPTKDFOSJVHLFX-UHFFFAOYSA-N 2 2 321.428 3.138 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)c(O)cc3F)(C1)CCC2 ZINC001277574886 1097859253 /nfs/dbraw/zinc/85/92/53/1097859253.db2.gz KIKSLEODTPVVJI-JKSUJKDBSA-N 2 2 312.816 3.339 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232241039 1097978992 /nfs/dbraw/zinc/97/89/92/1097978992.db2.gz BTHNMQTWHOMEMF-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232241039 1097978998 /nfs/dbraw/zinc/97/89/98/1097978998.db2.gz BTHNMQTWHOMEMF-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232331566 1098007135 /nfs/dbraw/zinc/00/71/35/1098007135.db2.gz UFHWZHIXRPPCFE-HNNXBMFYSA-N 2 2 315.442 3.160 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232331566 1098007143 /nfs/dbraw/zinc/00/71/43/1098007143.db2.gz UFHWZHIXRPPCFE-HNNXBMFYSA-N 2 2 315.442 3.160 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)nc2C)CC1 ZINC001232338026 1098008532 /nfs/dbraw/zinc/00/85/32/1098008532.db2.gz SQBIFIGWDHMPAY-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)nc2C)CC1 ZINC001232338026 1098008536 /nfs/dbraw/zinc/00/85/36/1098008536.db2.gz SQBIFIGWDHMPAY-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468909 1098048613 /nfs/dbraw/zinc/04/86/13/1098048613.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468909 1098048618 /nfs/dbraw/zinc/04/86/18/1098048618.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468909 1098048625 /nfs/dbraw/zinc/04/86/25/1098048625.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468909 1098048631 /nfs/dbraw/zinc/04/86/31/1098048631.db2.gz QUJAWMKCWZDWKW-OALUTQOASA-N 3 2 324.472 3.062 20 0 DGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175504040 1098074381 /nfs/dbraw/zinc/07/43/81/1098074381.db2.gz XEDMBPUWLXGXSP-IAGOWNOFSA-N 2 2 320.481 3.065 20 0 DGADLP Cc1cccc(N2CCC[N@H+](Cc3cc4ccoc4cn3)CC2)[nH+]1 ZINC001232554271 1098076958 /nfs/dbraw/zinc/07/69/58/1098076958.db2.gz OZZAPLZWMKTDTN-UHFFFAOYSA-N 2 2 322.412 3.244 20 0 DGADLP Cc1cccc(N2CCC[N@@H+](Cc3cc4ccoc4cn3)CC2)[nH+]1 ZINC001232554271 1098076963 /nfs/dbraw/zinc/07/69/63/1098076963.db2.gz OZZAPLZWMKTDTN-UHFFFAOYSA-N 2 2 322.412 3.244 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232614644 1098094834 /nfs/dbraw/zinc/09/48/34/1098094834.db2.gz XSIWSLZHFKGJDT-DLBZAZTESA-N 2 2 316.470 3.054 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232614644 1098094839 /nfs/dbraw/zinc/09/48/39/1098094839.db2.gz XSIWSLZHFKGJDT-DLBZAZTESA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232614644 1098094845 /nfs/dbraw/zinc/09/48/45/1098094845.db2.gz XSIWSLZHFKGJDT-DLBZAZTESA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232614644 1098094851 /nfs/dbraw/zinc/09/48/51/1098094851.db2.gz XSIWSLZHFKGJDT-DLBZAZTESA-N 2 2 316.470 3.054 20 0 DGADLP Cc1ccc[nH+]c1N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277708195 1098125687 /nfs/dbraw/zinc/12/56/87/1098125687.db2.gz SRCBRVMXCYXLAK-UHFFFAOYSA-N 2 2 310.445 3.211 20 0 DGADLP Cc1ccc[nH+]c1N1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277708195 1098125690 /nfs/dbraw/zinc/12/56/90/1098125690.db2.gz SRCBRVMXCYXLAK-UHFFFAOYSA-N 2 2 310.445 3.211 20 0 DGADLP Clc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC001175669713 1098131417 /nfs/dbraw/zinc/13/14/17/1098131417.db2.gz RMEOWAGDCVNOMK-INIZCTEOSA-N 2 2 312.804 3.463 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232824002 1098145635 /nfs/dbraw/zinc/14/56/35/1098145635.db2.gz MZWPIMYBOPGBTN-UHFFFAOYSA-N 2 2 318.852 3.275 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232824002 1098145639 /nfs/dbraw/zinc/14/56/39/1098145639.db2.gz MZWPIMYBOPGBTN-UHFFFAOYSA-N 2 2 318.852 3.275 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cncc(-c4ccccc4)c3)C[C@@H]2C1 ZINC001232903839 1098169146 /nfs/dbraw/zinc/16/91/46/1098169146.db2.gz SPUKTNFNKBMHNP-PMACEKPBSA-N 2 2 307.441 3.132 20 0 DGADLP CSc1cc(Nc2ccc(OCC[NH+](C)C)cc2)cc[nH+]1 ZINC001176229926 1098290375 /nfs/dbraw/zinc/29/03/75/1098290375.db2.gz VTVLJMPJZOVCKJ-UHFFFAOYSA-N 2 2 303.431 3.488 20 0 DGADLP c1c2cccnc2sc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001233349527 1098298931 /nfs/dbraw/zinc/29/89/31/1098298931.db2.gz WUXIAKJYMMBKPL-HNNXBMFYSA-N 2 2 311.410 3.345 20 0 DGADLP c1c2cccnc2sc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001233349527 1098298936 /nfs/dbraw/zinc/29/89/36/1098298936.db2.gz WUXIAKJYMMBKPL-HNNXBMFYSA-N 2 2 311.410 3.345 20 0 DGADLP Cc1c[nH+]c(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(C)c1 ZINC001176379429 1098325496 /nfs/dbraw/zinc/32/54/96/1098325496.db2.gz BYFUCJLSAMNKHY-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP Cc1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(C)[nH+]1 ZINC001176378848 1098337146 /nfs/dbraw/zinc/33/71/46/1098337146.db2.gz XORKHBPTZOOBDT-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP C[NH+](C)CCn1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cn1 ZINC001176444538 1098345305 /nfs/dbraw/zinc/34/53/05/1098345305.db2.gz QTGADLAXIZAFGR-UHFFFAOYSA-N 2 2 315.808 3.390 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001206277624 1098399392 /nfs/dbraw/zinc/39/93/92/1098399392.db2.gz VTCSOMHFEFGFMJ-CQSZACIVSA-N 2 2 303.837 3.172 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001206277624 1098399397 /nfs/dbraw/zinc/39/93/97/1098399397.db2.gz VTCSOMHFEFGFMJ-CQSZACIVSA-N 2 2 303.837 3.172 20 0 DGADLP COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1-n1cc[nH+]c1 ZINC001234032832 1098480668 /nfs/dbraw/zinc/48/06/68/1098480668.db2.gz MAIXVXIVMSWWCN-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP COc1cc(C[N@H+]2CCc3ccccc3C2)ccc1-n1cc[nH+]c1 ZINC001234032832 1098480669 /nfs/dbraw/zinc/48/06/69/1098480669.db2.gz MAIXVXIVMSWWCN-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001177199536 1098488042 /nfs/dbraw/zinc/48/80/42/1098488042.db2.gz LFJUFGNNTASLSE-UHFFFAOYSA-N 2 2 322.880 3.485 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1)C2 ZINC001177673866 1098575988 /nfs/dbraw/zinc/57/59/88/1098575988.db2.gz AQRNZHXTSURMMG-DOTOQJQBSA-N 2 2 313.445 3.065 20 0 DGADLP c1csc(-c2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC001235000137 1098743053 /nfs/dbraw/zinc/74/30/53/1098743053.db2.gz OOBVMCZYJWKIFI-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP c1csc(-c2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC001235000137 1098743061 /nfs/dbraw/zinc/74/30/61/1098743061.db2.gz OOBVMCZYJWKIFI-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235007424 1098748304 /nfs/dbraw/zinc/74/83/04/1098748304.db2.gz LJGXNQLIPZQEJN-FQEVSTJZSA-N 2 2 316.489 3.186 20 0 DGADLP CC(C)(C)c1cccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235007424 1098748316 /nfs/dbraw/zinc/74/83/16/1098748316.db2.gz LJGXNQLIPZQEJN-FQEVSTJZSA-N 2 2 316.489 3.186 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC4CC3(C[NH3+])C4)cc2)cc1 ZINC001235007811 1098748861 /nfs/dbraw/zinc/74/88/61/1098748861.db2.gz NJFQYRGGPQOSAV-UHFFFAOYSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC4CC3(C[NH3+])C4)cc2)cc1 ZINC001235007811 1098748867 /nfs/dbraw/zinc/74/88/67/1098748867.db2.gz NJFQYRGGPQOSAV-UHFFFAOYSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(Oc2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235024936 1098757339 /nfs/dbraw/zinc/75/73/39/1098757339.db2.gz TXVKBHNWYQTDLZ-UHFFFAOYSA-N 2 2 324.424 3.283 20 0 DGADLP COc1ccc(Oc2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235024936 1098757344 /nfs/dbraw/zinc/75/73/44/1098757344.db2.gz TXVKBHNWYQTDLZ-UHFFFAOYSA-N 2 2 324.424 3.283 20 0 DGADLP Cc1c(Br)ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC001235032332 1098761343 /nfs/dbraw/zinc/76/13/43/1098761343.db2.gz KGUHBGXABTVQKT-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1c(Br)ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC001235032332 1098761349 /nfs/dbraw/zinc/76/13/49/1098761349.db2.gz KGUHBGXABTVQKT-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038653 1098765845 /nfs/dbraw/zinc/76/58/45/1098765845.db2.gz PFTJHPRRQTZBSK-SFHVURJKSA-N 2 2 306.425 3.251 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038653 1098765853 /nfs/dbraw/zinc/76/58/53/1098765853.db2.gz PFTJHPRRQTZBSK-SFHVURJKSA-N 2 2 306.425 3.251 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048415 1098773263 /nfs/dbraw/zinc/77/32/63/1098773263.db2.gz XYRVEBPAKWASHM-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048415 1098773273 /nfs/dbraw/zinc/77/32/73/1098773273.db2.gz XYRVEBPAKWASHM-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048573 1098773291 /nfs/dbraw/zinc/77/32/91/1098773291.db2.gz YUHCVJOEFUETDM-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235048573 1098773297 /nfs/dbraw/zinc/77/32/97/1098773297.db2.gz YUHCVJOEFUETDM-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cccnc2)c(C)c1 ZINC001178276367 1098773524 /nfs/dbraw/zinc/77/35/24/1098773524.db2.gz NZTFWCFYHCMRLI-IBGZPJMESA-N 2 2 306.413 3.426 20 0 DGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345377 1098788733 /nfs/dbraw/zinc/78/87/33/1098788733.db2.gz HLGWPLLDJGOHNZ-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235094361 1098798220 /nfs/dbraw/zinc/79/82/20/1098798220.db2.gz QMDPPWXFVWWQNW-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235094361 1098798231 /nfs/dbraw/zinc/79/82/31/1098798231.db2.gz QMDPPWXFVWWQNW-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115288 1098816501 /nfs/dbraw/zinc/81/65/01/1098816501.db2.gz PYMPNALIAHJJFU-LAUBAEHRSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115288 1098816506 /nfs/dbraw/zinc/81/65/06/1098816506.db2.gz PYMPNALIAHJJFU-LAUBAEHRSA-N 2 2 324.468 3.398 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001235114324 1098816795 /nfs/dbraw/zinc/81/67/95/1098816795.db2.gz LBRJQKFIXKOZPI-FQEVSTJZSA-N 2 2 308.425 3.387 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3CCC[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001235114324 1098816810 /nfs/dbraw/zinc/81/68/10/1098816810.db2.gz LBRJQKFIXKOZPI-FQEVSTJZSA-N 2 2 308.425 3.387 20 0 DGADLP Fc1cc(F)c(F)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1F ZINC001235134790 1098830818 /nfs/dbraw/zinc/83/08/18/1098830818.db2.gz FVZSUKPETBGAHB-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206335281 1098877878 /nfs/dbraw/zinc/87/78/78/1098877878.db2.gz DPLFFNWVNRIXEW-NVXWUHKLSA-N 2 2 302.478 3.107 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206335281 1098877885 /nfs/dbraw/zinc/87/78/85/1098877885.db2.gz DPLFFNWVNRIXEW-NVXWUHKLSA-N 2 2 302.478 3.107 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235173696 1098855432 /nfs/dbraw/zinc/85/54/32/1098855432.db2.gz QOFHUJUTUBTZAC-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235173696 1098855438 /nfs/dbraw/zinc/85/54/38/1098855438.db2.gz QOFHUJUTUBTZAC-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP c1ccc2[nH]c(C[NH+]3CC4(C3)CC[NH+](C3CCCC3)CC4)nc2c1 ZINC001277930653 1098876900 /nfs/dbraw/zinc/87/69/00/1098876900.db2.gz QVDMASLQAYBGHI-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)cc2)c[nH+]1 ZINC001235230665 1098904830 /nfs/dbraw/zinc/90/48/30/1098904830.db2.gz WLQOVMYZMDJZOU-FQEVSTJZSA-N 3 2 324.472 3.226 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC001235253750 1098925464 /nfs/dbraw/zinc/92/54/64/1098925464.db2.gz FZHNSJCADMRREM-KUHUBIRLSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC001235253750 1098925474 /nfs/dbraw/zinc/92/54/74/1098925474.db2.gz FZHNSJCADMRREM-KUHUBIRLSA-N 2 2 314.379 3.426 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001235361596 1098979143 /nfs/dbraw/zinc/97/91/43/1098979143.db2.gz HYTPVHGUFDWWHN-HNNXBMFYSA-N 2 2 305.219 3.135 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001235361596 1098979152 /nfs/dbraw/zinc/97/91/52/1098979152.db2.gz HYTPVHGUFDWWHN-HNNXBMFYSA-N 2 2 305.219 3.135 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400147 1098995585 /nfs/dbraw/zinc/99/55/85/1098995585.db2.gz CJROJRAOGCTWJD-NVXWUHKLSA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400147 1098995589 /nfs/dbraw/zinc/99/55/89/1098995589.db2.gz CJROJRAOGCTWJD-NVXWUHKLSA-N 2 2 310.844 3.480 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404736 1099001225 /nfs/dbraw/zinc/00/12/25/1099001225.db2.gz NZWKPSFMVBXNPP-WBVHZDCISA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404736 1099001238 /nfs/dbraw/zinc/00/12/38/1099001238.db2.gz NZWKPSFMVBXNPP-WBVHZDCISA-N 2 2 321.827 3.345 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235407332 1099005473 /nfs/dbraw/zinc/00/54/73/1099005473.db2.gz RICXRUWZSULHJN-IEBWSBKVSA-N 2 2 320.452 3.387 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235407332 1099005487 /nfs/dbraw/zinc/00/54/87/1099005487.db2.gz RICXRUWZSULHJN-IEBWSBKVSA-N 2 2 320.452 3.387 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409809 1099005681 /nfs/dbraw/zinc/00/56/81/1099005681.db2.gz WXGXLWCFWCVYOZ-NVXWUHKLSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409809 1099005694 /nfs/dbraw/zinc/00/56/94/1099005694.db2.gz WXGXLWCFWCVYOZ-NVXWUHKLSA-N 2 2 321.827 3.345 20 0 DGADLP CC[N@H+](Cc1cnc(OC(C)C)cc1C)C1CC[NH+](C)CC1 ZINC001235426796 1099018907 /nfs/dbraw/zinc/01/89/07/1099018907.db2.gz XKMYFVVLHURQEO-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CC[N@@H+](Cc1cnc(OC(C)C)cc1C)C1CC[NH+](C)CC1 ZINC001235426796 1099018919 /nfs/dbraw/zinc/01/89/19/1099018919.db2.gz XKMYFVVLHURQEO-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP COc1cncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001235467578 1099050328 /nfs/dbraw/zinc/05/03/28/1099050328.db2.gz ZQTFPGULVFHYFO-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP COc1cncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001235467578 1099050340 /nfs/dbraw/zinc/05/03/40/1099050340.db2.gz ZQTFPGULVFHYFO-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277950246 1099067596 /nfs/dbraw/zinc/06/75/96/1099067596.db2.gz WHTFHPLGXMHLMH-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277950246 1099067558 /nfs/dbraw/zinc/06/75/58/1099067558.db2.gz WHTFHPLGXMHLMH-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277950246 1099067570 /nfs/dbraw/zinc/06/75/70/1099067570.db2.gz WHTFHPLGXMHLMH-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277950246 1099067583 /nfs/dbraw/zinc/06/75/83/1099067583.db2.gz WHTFHPLGXMHLMH-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP C[NH2+]CC[NH+]1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001235585232 1099093138 /nfs/dbraw/zinc/09/31/38/1099093138.db2.gz SQWRTAMZUMHHSG-UHFFFAOYSA-N 2 2 310.441 3.446 20 0 DGADLP COc1ccc(C2CC[NH+](C[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC001235673118 1099116343 /nfs/dbraw/zinc/11/63/43/1099116343.db2.gz BSQIJOHXRRZHQZ-HXUWFJFHSA-N 2 2 324.468 3.445 20 0 DGADLP Clc1ccc(-n2cccc2C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711235 1099139667 /nfs/dbraw/zinc/13/96/67/1099139667.db2.gz NWCMGSWIOTWGRZ-UHFFFAOYSA-N 2 2 315.848 3.316 20 0 DGADLP Clc1ccc(-n2cccc2C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711235 1099139672 /nfs/dbraw/zinc/13/96/72/1099139672.db2.gz NWCMGSWIOTWGRZ-UHFFFAOYSA-N 2 2 315.848 3.316 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001235713532 1099141515 /nfs/dbraw/zinc/14/15/15/1099141515.db2.gz LQUQYUSBCRSHRN-UHFFFAOYSA-N 2 2 314.351 3.079 20 0 DGADLP Cc1cc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc(OC(F)(F)F)c1 ZINC001235713532 1099141516 /nfs/dbraw/zinc/14/15/16/1099141516.db2.gz LQUQYUSBCRSHRN-UHFFFAOYSA-N 2 2 314.351 3.079 20 0 DGADLP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)c(F)c(F)c(F)c1F ZINC001235713767 1099141664 /nfs/dbraw/zinc/14/16/64/1099141664.db2.gz FVQLEBDMDVLDPK-UHFFFAOYSA-N 2 2 322.321 3.204 20 0 DGADLP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)c(F)c(F)c(F)c1F ZINC001235713767 1099141672 /nfs/dbraw/zinc/14/16/72/1099141672.db2.gz FVQLEBDMDVLDPK-UHFFFAOYSA-N 2 2 322.321 3.204 20 0 DGADLP CC[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001235727435 1099151296 /nfs/dbraw/zinc/15/12/96/1099151296.db2.gz XHIZKXDANBOFDR-UHFFFAOYSA-N 2 2 318.461 3.216 20 0 DGADLP CCC[C@H](O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699653 1099168573 /nfs/dbraw/zinc/16/85/73/1099168573.db2.gz FIBSSDROWBUUNN-ROUUACIJSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@H](O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699653 1099168578 /nfs/dbraw/zinc/16/85/78/1099168578.db2.gz FIBSSDROWBUUNN-ROUUACIJSA-N 2 2 304.478 3.180 20 0 DGADLP COCCC[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807315 1099189446 /nfs/dbraw/zinc/18/94/46/1099189446.db2.gz UBKOEYNPKJXZNP-MRXNPFEDSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807315 1099189448 /nfs/dbraw/zinc/18/94/48/1099189448.db2.gz UBKOEYNPKJXZNP-MRXNPFEDSA-N 2 2 312.404 3.215 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1F ZINC001179830697 1099213932 /nfs/dbraw/zinc/21/39/32/1099213932.db2.gz VJQGJRWQLRXKIA-CYBMUJFWSA-N 2 2 312.429 3.053 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4sc(C)nc4c3)C[C@H]2C1 ZINC001235855555 1099216382 /nfs/dbraw/zinc/21/63/82/1099216382.db2.gz AOLDYXUETPIFGX-HZPDHXFCSA-N 2 2 315.486 3.378 20 0 DGADLP Brc1ccc([C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881429 1099231667 /nfs/dbraw/zinc/23/16/67/1099231667.db2.gz FQACOAXDNHMCHC-HOCLYGCPSA-N 2 2 323.278 3.381 20 0 DGADLP Brc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881429 1099231676 /nfs/dbraw/zinc/23/16/76/1099231676.db2.gz FQACOAXDNHMCHC-HOCLYGCPSA-N 2 2 323.278 3.381 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235926339 1099263153 /nfs/dbraw/zinc/26/31/53/1099263153.db2.gz ZDAAHCBBGMBENK-LBPRGKRZSA-N 2 2 300.805 3.191 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235926339 1099263159 /nfs/dbraw/zinc/26/31/59/1099263159.db2.gz ZDAAHCBBGMBENK-LBPRGKRZSA-N 2 2 300.805 3.191 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2c1 ZINC001235930987 1099267259 /nfs/dbraw/zinc/26/72/59/1099267259.db2.gz YYWMEWFWLYSBRR-XJKSGUPXSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2c1 ZINC001235930987 1099267264 /nfs/dbraw/zinc/26/72/64/1099267264.db2.gz YYWMEWFWLYSBRR-XJKSGUPXSA-N 2 2 315.848 3.238 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235937542 1099271988 /nfs/dbraw/zinc/27/19/88/1099271988.db2.gz INGHWPMKIAUZGP-ZFWWWQNUSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235937542 1099271993 /nfs/dbraw/zinc/27/19/93/1099271993.db2.gz INGHWPMKIAUZGP-ZFWWWQNUSA-N 2 2 308.853 3.169 20 0 DGADLP COc1cc(C[N@H+](CC[NH3+])C(C)C)cc2c1NC(C)(C)C=C2 ZINC001235948982 1099283014 /nfs/dbraw/zinc/28/30/14/1099283014.db2.gz YQWVLLOMSHJGMO-UHFFFAOYSA-N 2 2 303.450 3.082 20 0 DGADLP COc1cc(C[N@@H+](CC[NH3+])C(C)C)cc2c1NC(C)(C)C=C2 ZINC001235948982 1099283021 /nfs/dbraw/zinc/28/30/21/1099283021.db2.gz YQWVLLOMSHJGMO-UHFFFAOYSA-N 2 2 303.450 3.082 20 0 DGADLP COc1c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)ccc(Cl)c1Cl ZINC001235960502 1099292123 /nfs/dbraw/zinc/29/21/23/1099292123.db2.gz YDGBYTVNXHBDAH-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP COc1c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc(Cl)c1Cl ZINC001235960502 1099292134 /nfs/dbraw/zinc/29/21/34/1099292134.db2.gz YDGBYTVNXHBDAH-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP CC(C)[N@@H+](CC(=O)c1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961551 1099293994 /nfs/dbraw/zinc/29/39/94/1099293994.db2.gz CCUGTHULTOZPIE-GDBMZVCRSA-N 2 2 324.415 3.071 20 0 DGADLP CC(C)[N@H+](CC(=O)c1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235961551 1099293997 /nfs/dbraw/zinc/29/39/97/1099293997.db2.gz CCUGTHULTOZPIE-GDBMZVCRSA-N 2 2 324.415 3.071 20 0 DGADLP CC(C)[N@@H+](CC(=O)c1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961554 1099294803 /nfs/dbraw/zinc/29/48/03/1099294803.db2.gz CCUGTHULTOZPIE-GOEBONIOSA-N 2 2 324.415 3.071 20 0 DGADLP CC(C)[N@H+](CC(=O)c1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961554 1099294812 /nfs/dbraw/zinc/29/48/12/1099294812.db2.gz CCUGTHULTOZPIE-GOEBONIOSA-N 2 2 324.415 3.071 20 0 DGADLP CC[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@H]1CCC[NH2+]C1 ZINC001236006894 1099329196 /nfs/dbraw/zinc/32/91/96/1099329196.db2.gz KRNGHOGIUUDMHZ-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@H]1CCC[NH2+]C1 ZINC001236006894 1099329209 /nfs/dbraw/zinc/32/92/09/1099329209.db2.gz KRNGHOGIUUDMHZ-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP Oc1cc(Cl)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Cl)c1 ZINC001236009450 1099334150 /nfs/dbraw/zinc/33/41/50/1099334150.db2.gz MORBPAIDFRUISN-UHFFFAOYSA-N 2 2 315.244 3.275 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H](C)C[C@H]([NH3+])C3)c2c1 ZINC001236052310 1099354639 /nfs/dbraw/zinc/35/46/39/1099354639.db2.gz QCNKDFXGKPGQFT-HIFRSBDPSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H](C)C[C@H]([NH3+])C3)c2c1 ZINC001236052310 1099354650 /nfs/dbraw/zinc/35/46/50/1099354650.db2.gz QCNKDFXGKPGQFT-HIFRSBDPSA-N 2 2 314.429 3.026 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001180317603 1099367559 /nfs/dbraw/zinc/36/75/59/1099367559.db2.gz KCMRTIOGZSYMOZ-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001180317603 1099367568 /nfs/dbraw/zinc/36/75/68/1099367568.db2.gz KCMRTIOGZSYMOZ-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103105 1099390730 /nfs/dbraw/zinc/39/07/30/1099390730.db2.gz WCTCNDQTCITOMW-RBUKOAKNSA-N 2 2 300.446 3.321 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103105 1099390740 /nfs/dbraw/zinc/39/07/40/1099390740.db2.gz WCTCNDQTCITOMW-RBUKOAKNSA-N 2 2 300.446 3.321 20 0 DGADLP CC(C)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@@H]1CCC[NH2+]1 ZINC001236102795 1099390924 /nfs/dbraw/zinc/39/09/24/1099390924.db2.gz SBZBCKYPFXAWQF-VQTJNVASSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@@H]1CCC[NH2+]1 ZINC001236102795 1099390934 /nfs/dbraw/zinc/39/09/34/1099390934.db2.gz SBZBCKYPFXAWQF-VQTJNVASSA-N 2 2 312.457 3.336 20 0 DGADLP CCC[C@@H]1C[NH2+]CCN1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236132139 1099418823 /nfs/dbraw/zinc/41/88/23/1099418823.db2.gz DZQOZPLRIWPBBC-OAHLLOKOSA-N 2 2 318.852 3.100 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc(C)c1F ZINC001236196221 1099458884 /nfs/dbraw/zinc/45/88/84/1099458884.db2.gz WCUSDOHULWMYRD-QGZVFWFLSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc(C)c1F ZINC001236196221 1099458887 /nfs/dbraw/zinc/45/88/87/1099458887.db2.gz WCUSDOHULWMYRD-QGZVFWFLSA-N 2 2 314.404 3.343 20 0 DGADLP c1ccc(-c2cccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2)nc1 ZINC001236241658 1099497594 /nfs/dbraw/zinc/49/75/94/1099497594.db2.gz UBPNQDJWZJQDJW-LJQANCHMSA-N 2 2 307.441 3.465 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2)nc1 ZINC001236241658 1099497597 /nfs/dbraw/zinc/49/75/97/1099497597.db2.gz UBPNQDJWZJQDJW-LJQANCHMSA-N 2 2 307.441 3.465 20 0 DGADLP COc1ccccc1CC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270434 1099511361 /nfs/dbraw/zinc/51/13/61/1099511361.db2.gz RYYBNWZHBCYCTD-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP COc1ccccc1CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270434 1099511372 /nfs/dbraw/zinc/51/13/72/1099511372.db2.gz RYYBNWZHBCYCTD-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP c1ccc(C[N@H+](Cc2cccc3c2OCC3)C2CC[NH2+]CC2)cc1 ZINC001236304963 1099525443 /nfs/dbraw/zinc/52/54/43/1099525443.db2.gz PTDAJLVTOUGQTO-UHFFFAOYSA-N 2 2 322.452 3.376 20 0 DGADLP c1ccc(C[N@@H+](Cc2cccc3c2OCC3)C2CC[NH2+]CC2)cc1 ZINC001236304963 1099525450 /nfs/dbraw/zinc/52/54/50/1099525450.db2.gz PTDAJLVTOUGQTO-UHFFFAOYSA-N 2 2 322.452 3.376 20 0 DGADLP Nc1ccc(-c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)c[nH+]1 ZINC001236315124 1099530721 /nfs/dbraw/zinc/53/07/21/1099530721.db2.gz HOOWLTFJAIXAHR-IRXDYDNUSA-N 2 2 315.392 3.256 20 0 DGADLP Oc1c(F)ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236375038 1099560211 /nfs/dbraw/zinc/56/02/11/1099560211.db2.gz HVKBOHZXCFAZMU-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1c(F)ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236375038 1099560222 /nfs/dbraw/zinc/56/02/22/1099560222.db2.gz HVKBOHZXCFAZMU-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1cnc(Cl)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376254 1099565403 /nfs/dbraw/zinc/56/54/03/1099565403.db2.gz PTVQWCYLSCDKRX-CYBMUJFWSA-N 2 2 323.868 3.185 20 0 DGADLP Oc1cnc(Cl)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376254 1099565414 /nfs/dbraw/zinc/56/54/14/1099565414.db2.gz PTVQWCYLSCDKRX-CYBMUJFWSA-N 2 2 323.868 3.185 20 0 DGADLP CCCCCCOc1ccccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412343 1099585378 /nfs/dbraw/zinc/58/53/78/1099585378.db2.gz KSIRMSDMKBPCTH-DZFIZOCASA-N 2 2 302.462 3.295 20 0 DGADLP CCCCCCOc1ccccc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412343 1099585387 /nfs/dbraw/zinc/58/53/87/1099585387.db2.gz KSIRMSDMKBPCTH-DZFIZOCASA-N 2 2 302.462 3.295 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@](F)(C[NH3+])C3)c2)cc1 ZINC001236435719 1099611801 /nfs/dbraw/zinc/61/18/01/1099611801.db2.gz UZGYESWYROFHIP-LJQANCHMSA-N 2 2 314.404 3.235 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@@](F)(C[NH3+])C3)c2)cc1 ZINC001236435719 1099611807 /nfs/dbraw/zinc/61/18/07/1099611807.db2.gz UZGYESWYROFHIP-LJQANCHMSA-N 2 2 314.404 3.235 20 0 DGADLP CC(C)[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236467385 1099626964 /nfs/dbraw/zinc/62/69/64/1099626964.db2.gz CRFATSLMNSSPBP-CYBMUJFWSA-N 2 2 316.367 3.373 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236467385 1099626974 /nfs/dbraw/zinc/62/69/74/1099626974.db2.gz CRFATSLMNSSPBP-CYBMUJFWSA-N 2 2 316.367 3.373 20 0 DGADLP CC(C)C[N@H+](Cc1ccc(-c2ncccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477347 1099634753 /nfs/dbraw/zinc/63/47/53/1099634753.db2.gz BVBAUENCHVTGHZ-LJQANCHMSA-N 2 2 324.472 3.354 20 0 DGADLP CC(C)C[N@@H+](Cc1ccc(-c2ncccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477347 1099634759 /nfs/dbraw/zinc/63/47/59/1099634759.db2.gz BVBAUENCHVTGHZ-LJQANCHMSA-N 2 2 324.472 3.354 20 0 DGADLP CC(C)C[N@H+](Cc1cccc(-c2ccccn2)n1)[C@@H]1CCC[NH2+]C1 ZINC001236478083 1099636672 /nfs/dbraw/zinc/63/66/72/1099636672.db2.gz BOAAJCCEZWZMGG-GOSISDBHSA-N 2 2 324.472 3.354 20 0 DGADLP CC(C)C[N@@H+](Cc1cccc(-c2ccccn2)n1)[C@@H]1CCC[NH2+]C1 ZINC001236478083 1099636676 /nfs/dbraw/zinc/63/66/76/1099636676.db2.gz BOAAJCCEZWZMGG-GOSISDBHSA-N 2 2 324.472 3.354 20 0 DGADLP COc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1Cl ZINC001236599735 1099695793 /nfs/dbraw/zinc/69/57/93/1099695793.db2.gz CMQRCVQGSVKLIP-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1Cl ZINC001236599735 1099695796 /nfs/dbraw/zinc/69/57/96/1099695796.db2.gz CMQRCVQGSVKLIP-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1 ZINC001236646732 1099719902 /nfs/dbraw/zinc/71/99/02/1099719902.db2.gz IGELAEBXSBVCGR-KRWDZBQOSA-N 2 2 318.461 3.200 20 0 DGADLP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1 ZINC001236646732 1099719908 /nfs/dbraw/zinc/71/99/08/1099719908.db2.gz IGELAEBXSBVCGR-KRWDZBQOSA-N 2 2 318.461 3.200 20 0 DGADLP c1cn(-c2ccc(CN([C@H]3CC[NH2+]C3)C3CCCCC3)cc2)c[nH+]1 ZINC001236652344 1099722339 /nfs/dbraw/zinc/72/23/39/1099722339.db2.gz MMVNIWINELBDQS-FQEVSTJZSA-N 2 2 324.472 3.369 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001236846226 1099830815 /nfs/dbraw/zinc/83/08/15/1099830815.db2.gz WGJBCGXOGHOVEF-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001236846226 1099830829 /nfs/dbraw/zinc/83/08/29/1099830829.db2.gz WGJBCGXOGHOVEF-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001236846226 1099830841 /nfs/dbraw/zinc/83/08/41/1099830841.db2.gz WGJBCGXOGHOVEF-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cncc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001236846226 1099830856 /nfs/dbraw/zinc/83/08/56/1099830856.db2.gz WGJBCGXOGHOVEF-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@]1(C)O ZINC001236902440 1099865090 /nfs/dbraw/zinc/86/50/90/1099865090.db2.gz BIONJQMJEXSZIK-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@]1(C)O ZINC001236902440 1099865096 /nfs/dbraw/zinc/86/50/96/1099865096.db2.gz BIONJQMJEXSZIK-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP OC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236908265 1099871448 /nfs/dbraw/zinc/87/14/48/1099871448.db2.gz RDGOOMCFJIJYLO-CQSZACIVSA-N 2 2 319.836 3.120 20 0 DGADLP OC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236908265 1099871449 /nfs/dbraw/zinc/87/14/49/1099871449.db2.gz RDGOOMCFJIJYLO-CQSZACIVSA-N 2 2 319.836 3.120 20 0 DGADLP COC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236913828 1099874495 /nfs/dbraw/zinc/87/44/95/1099874495.db2.gz OVNZHALIFQPIQC-UHFFFAOYSA-N 2 2 305.809 3.137 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237055713 1099938533 /nfs/dbraw/zinc/93/85/33/1099938533.db2.gz FEVJUBBFAXJHAV-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237055713 1099938544 /nfs/dbraw/zinc/93/85/44/1099938544.db2.gz FEVJUBBFAXJHAV-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Br ZINC001237056346 1099948032 /nfs/dbraw/zinc/94/80/32/1099948032.db2.gz ICLVDRUNSWMSPA-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1Br ZINC001237056346 1099948042 /nfs/dbraw/zinc/94/80/42/1099948042.db2.gz ICLVDRUNSWMSPA-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001237058694 1099950337 /nfs/dbraw/zinc/95/03/37/1099950337.db2.gz RHEBKXHHMOMQBN-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001237058694 1099950352 /nfs/dbraw/zinc/95/03/52/1099950352.db2.gz RHEBKXHHMOMQBN-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(C(F)(F)F)c1 ZINC001237059756 1099950473 /nfs/dbraw/zinc/95/04/73/1099950473.db2.gz VGBNJHITJQFFFG-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(C(F)(F)F)c1 ZINC001237059756 1099950484 /nfs/dbraw/zinc/95/04/84/1099950484.db2.gz VGBNJHITJQFFFG-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237080147 1099958989 /nfs/dbraw/zinc/95/89/89/1099958989.db2.gz DCXKHQSRACMBCS-KRWDZBQOSA-N 2 2 324.852 3.078 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237080147 1099959003 /nfs/dbraw/zinc/95/90/03/1099959003.db2.gz DCXKHQSRACMBCS-KRWDZBQOSA-N 2 2 324.852 3.078 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc1Br ZINC001237082561 1099962079 /nfs/dbraw/zinc/96/20/79/1099962079.db2.gz RIEVLAYLSYKROG-CYBMUJFWSA-N 2 2 317.296 3.380 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1Br ZINC001237082561 1099962089 /nfs/dbraw/zinc/96/20/89/1099962089.db2.gz RIEVLAYLSYKROG-CYBMUJFWSA-N 2 2 317.296 3.380 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237105442 1099971624 /nfs/dbraw/zinc/97/16/24/1099971624.db2.gz NRIGBVWQNYSRSL-VQTJNVASSA-N 2 2 314.473 3.107 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237105442 1099971632 /nfs/dbraw/zinc/97/16/32/1099971632.db2.gz NRIGBVWQNYSRSL-VQTJNVASSA-N 2 2 314.473 3.107 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237105442 1099971641 /nfs/dbraw/zinc/97/16/41/1099971641.db2.gz NRIGBVWQNYSRSL-VQTJNVASSA-N 2 2 314.473 3.107 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237105442 1099971646 /nfs/dbraw/zinc/97/16/46/1099971646.db2.gz NRIGBVWQNYSRSL-VQTJNVASSA-N 2 2 314.473 3.107 20 0 DGADLP COCC[N@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC001237110477 1099974523 /nfs/dbraw/zinc/97/45/23/1099974523.db2.gz JKYQJMDLFMSQCI-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP COCC[N@@H+](Cc1ccc(C2CCC2)cc1)C1CC[NH+](C)CC1 ZINC001237110477 1099974529 /nfs/dbraw/zinc/97/45/29/1099974529.db2.gz JKYQJMDLFMSQCI-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP COc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001237143976 1099992478 /nfs/dbraw/zinc/99/24/78/1099992478.db2.gz HXPRBXPMGWUTNC-GOSISDBHSA-N 2 2 302.462 3.419 20 0 DGADLP COc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001237143976 1099992489 /nfs/dbraw/zinc/99/24/89/1099992489.db2.gz HXPRBXPMGWUTNC-GOSISDBHSA-N 2 2 302.462 3.419 20 0 DGADLP CCOc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC001237146752 1099996084 /nfs/dbraw/zinc/99/60/84/1099996084.db2.gz VFUAUNUCZYLBEM-QGZVFWFLSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC001237146752 1099996095 /nfs/dbraw/zinc/99/60/95/1099996095.db2.gz VFUAUNUCZYLBEM-QGZVFWFLSA-N 2 2 318.461 3.200 20 0 DGADLP CCCCCCc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)s1 ZINC001237146544 1099996272 /nfs/dbraw/zinc/99/62/72/1099996272.db2.gz UIANOHMBWOYRET-GOSISDBHSA-N 2 2 322.518 3.435 20 0 DGADLP CCCCCCc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)s1 ZINC001237146544 1099996286 /nfs/dbraw/zinc/99/62/86/1099996286.db2.gz UIANOHMBWOYRET-GOSISDBHSA-N 2 2 322.518 3.435 20 0 DGADLP Cc1csc2sc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)c(C)c12 ZINC001237144545 1099997173 /nfs/dbraw/zinc/99/71/73/1099997173.db2.gz VSNNQGKDMQYYMH-MRXNPFEDSA-N 2 2 322.499 3.144 20 0 DGADLP Cc1csc2sc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)c(C)c12 ZINC001237144545 1099997185 /nfs/dbraw/zinc/99/71/85/1099997185.db2.gz VSNNQGKDMQYYMH-MRXNPFEDSA-N 2 2 322.499 3.144 20 0 DGADLP c1cc(-c2cccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2)n[nH]1 ZINC001237161654 1100009081 /nfs/dbraw/zinc/00/90/81/1100009081.db2.gz PMFMGBQOISDUQU-GOSISDBHSA-N 2 2 310.445 3.183 20 0 DGADLP c1cc(-c2cccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2)n[nH]1 ZINC001237161654 1100009086 /nfs/dbraw/zinc/00/90/86/1100009086.db2.gz PMFMGBQOISDUQU-GOSISDBHSA-N 2 2 310.445 3.183 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4nccc(Cl)c4c3)C[C@H]2C1 ZINC001237275230 1100055052 /nfs/dbraw/zinc/05/50/52/1100055052.db2.gz PLCMUFOPKZADTK-HUUCEWRRSA-N 2 2 315.848 3.272 20 0 DGADLP c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCN3)C21CC[NH2+]CC1 ZINC001237311983 1100073108 /nfs/dbraw/zinc/07/31/08/1100073108.db2.gz WTKKGTIMCFYNIP-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCN3)C21CC[NH2+]CC1 ZINC001237311983 1100073117 /nfs/dbraw/zinc/07/31/17/1100073117.db2.gz WTKKGTIMCFYNIP-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@H]2C1 ZINC001237372446 1100099490 /nfs/dbraw/zinc/09/94/90/1100099490.db2.gz XOSJWNYXEZCBAH-IAGOWNOFSA-N 2 2 311.429 3.115 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1OCC ZINC001237390992 1100107075 /nfs/dbraw/zinc/10/70/75/1100107075.db2.gz JMLNJQYRYVIRTR-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1OCC ZINC001237390992 1100107081 /nfs/dbraw/zinc/10/70/81/1100107081.db2.gz JMLNJQYRYVIRTR-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237394419 1100108700 /nfs/dbraw/zinc/10/87/00/1100108700.db2.gz VKLKGEPKAJQNGS-DLBZAZTESA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237394419 1100108708 /nfs/dbraw/zinc/10/87/08/1100108708.db2.gz VKLKGEPKAJQNGS-DLBZAZTESA-N 2 2 318.461 3.056 20 0 DGADLP c1csc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)n2)c1 ZINC001237413069 1100117362 /nfs/dbraw/zinc/11/73/62/1100117362.db2.gz IWWBAEMSESOXOM-ZBFHGGJFSA-N 2 2 313.470 3.384 20 0 DGADLP c1csc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)n2)c1 ZINC001237413069 1100117366 /nfs/dbraw/zinc/11/73/66/1100117366.db2.gz IWWBAEMSESOXOM-ZBFHGGJFSA-N 2 2 313.470 3.384 20 0 DGADLP COc1ccc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001237712696 1100223556 /nfs/dbraw/zinc/22/35/56/1100223556.db2.gz FGLKBRMXPRALDJ-GOSISDBHSA-N 2 2 312.413 3.360 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH+]3CCC3)CC2)ccc1OC(C)C ZINC001237729432 1100228512 /nfs/dbraw/zinc/22/85/12/1100228512.db2.gz BIDVBGAZPJIVSB-UHFFFAOYSA-N 2 2 302.462 3.452 20 0 DGADLP Fc1ccc(O[C@@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238111307 1100365719 /nfs/dbraw/zinc/36/57/19/1100365719.db2.gz UDTHSEAXUHTYOS-GOSISDBHSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238111307 1100365730 /nfs/dbraw/zinc/36/57/30/1100365730.db2.gz UDTHSEAXUHTYOS-GOSISDBHSA-N 2 2 311.360 3.127 20 0 DGADLP Cc1cnc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001238431967 1100442250 /nfs/dbraw/zinc/44/22/50/1100442250.db2.gz JGPGOWIZHJQITI-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cnc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001238431967 1100442252 /nfs/dbraw/zinc/44/22/52/1100442252.db2.gz JGPGOWIZHJQITI-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cnc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001238431967 1100442254 /nfs/dbraw/zinc/44/22/54/1100442254.db2.gz JGPGOWIZHJQITI-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cnc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001238431967 1100442256 /nfs/dbraw/zinc/44/22/56/1100442256.db2.gz JGPGOWIZHJQITI-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP C[Si](C)(C)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC001191382033 1100453931 /nfs/dbraw/zinc/45/39/31/1100453931.db2.gz PEJYWTMVWFWROY-UHFFFAOYSA-N 2 2 313.521 3.335 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238515684 1100463267 /nfs/dbraw/zinc/46/32/67/1100463267.db2.gz KQEYDSNCVGMFJQ-CALCHBBNSA-N 2 2 302.437 3.477 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238515684 1100463271 /nfs/dbraw/zinc/46/32/71/1100463271.db2.gz KQEYDSNCVGMFJQ-CALCHBBNSA-N 2 2 302.437 3.477 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238515684 1100463273 /nfs/dbraw/zinc/46/32/73/1100463273.db2.gz KQEYDSNCVGMFJQ-CALCHBBNSA-N 2 2 302.437 3.477 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238515684 1100463277 /nfs/dbraw/zinc/46/32/77/1100463277.db2.gz KQEYDSNCVGMFJQ-CALCHBBNSA-N 2 2 302.437 3.477 20 0 DGADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)c(-c2ccccc2)cn1 ZINC001238594319 1100478333 /nfs/dbraw/zinc/47/83/33/1100478333.db2.gz FJTZVCBKBQFWCZ-UHFFFAOYSA-N 2 2 313.445 3.141 20 0 DGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)c(-c2ccccc2)cn1 ZINC001238594319 1100478337 /nfs/dbraw/zinc/47/83/37/1100478337.db2.gz FJTZVCBKBQFWCZ-UHFFFAOYSA-N 2 2 313.445 3.141 20 0 DGADLP COCC[N@H+](Cc1cc(C)cc(SC)c1)C1CC[NH+](C)CC1 ZINC001238685679 1100501663 /nfs/dbraw/zinc/50/16/63/1100501663.db2.gz OMBXDKHNEZPPQH-UHFFFAOYSA-N 2 2 322.518 3.260 20 0 DGADLP COCC[N@@H+](Cc1cc(C)cc(SC)c1)C1CC[NH+](C)CC1 ZINC001238685679 1100501671 /nfs/dbraw/zinc/50/16/71/1100501671.db2.gz OMBXDKHNEZPPQH-UHFFFAOYSA-N 2 2 322.518 3.260 20 0 DGADLP COc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001239750821 1100742799 /nfs/dbraw/zinc/74/27/99/1100742799.db2.gz VZDNJVKKVVGCTN-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001239750821 1100742802 /nfs/dbraw/zinc/74/28/02/1100742802.db2.gz VZDNJVKKVVGCTN-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1Cl ZINC001240031718 1100840874 /nfs/dbraw/zinc/84/08/74/1100840874.db2.gz PRWRTFBNBYIROF-UHFFFAOYSA-N 2 2 313.788 3.350 20 0 DGADLP C[NH+](C)Cc1c(F)cc(-c2ccc3c(c2)CC[NH2+]C3)cc1F ZINC001240458570 1101006124 /nfs/dbraw/zinc/00/61/24/1101006124.db2.gz LLKVMYIIWFKBKA-UHFFFAOYSA-N 2 2 302.368 3.339 20 0 DGADLP COc1c(F)ccc(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240725208 1101109967 /nfs/dbraw/zinc/10/99/67/1101109967.db2.gz ACAVIYOBCONKFR-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)ccc(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240725208 1101109971 /nfs/dbraw/zinc/10/99/71/1101109971.db2.gz ACAVIYOBCONKFR-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc4c(c3)CCCO4)ccn12 ZINC001240773915 1101133052 /nfs/dbraw/zinc/13/30/52/1101133052.db2.gz ZIGNKHNGPWYFNK-UHFFFAOYSA-N 2 2 305.381 3.013 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4ncccc43)cc2)C1 ZINC001240938891 1101187926 /nfs/dbraw/zinc/18/79/26/1101187926.db2.gz HJZQECOZPBKRBI-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4ncccc43)cc2)C1 ZINC001240938891 1101187931 /nfs/dbraw/zinc/18/79/31/1101187931.db2.gz HJZQECOZPBKRBI-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP Nc1cc(-c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)cc[nH+]1 ZINC001241169970 1101283600 /nfs/dbraw/zinc/28/36/00/1101283600.db2.gz SOLDKWCEGNFDAC-AHIWAGSCSA-N 2 2 305.385 3.020 20 0 DGADLP Nc1cc(-c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)cc[nH+]1 ZINC001241169970 1101283625 /nfs/dbraw/zinc/28/36/25/1101283625.db2.gz SOLDKWCEGNFDAC-AHIWAGSCSA-N 2 2 305.385 3.020 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3ncccc3c2)C1 ZINC001241400204 1101433818 /nfs/dbraw/zinc/43/38/18/1101433818.db2.gz IKCHXORPDCNPEU-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ncccc3c2)C1 ZINC001241400204 1101433825 /nfs/dbraw/zinc/43/38/25/1101433825.db2.gz IKCHXORPDCNPEU-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC001205796696 1101459502 /nfs/dbraw/zinc/45/95/02/1101459502.db2.gz SOLREFGIYXDPAV-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc(C)c1Cl ZINC001205796696 1101459504 /nfs/dbraw/zinc/45/95/04/1101459504.db2.gz SOLREFGIYXDPAV-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958721 1101488675 /nfs/dbraw/zinc/48/86/75/1101488675.db2.gz KHGZFTHYYYMZOD-CYBMUJFWSA-N 2 2 307.344 3.391 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958721 1101488681 /nfs/dbraw/zinc/48/86/81/1101488681.db2.gz KHGZFTHYYYMZOD-CYBMUJFWSA-N 2 2 307.344 3.391 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001241694972 1101641361 /nfs/dbraw/zinc/64/13/61/1101641361.db2.gz PRYCMXPWWAHXLX-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001241694972 1101641368 /nfs/dbraw/zinc/64/13/68/1101641368.db2.gz PRYCMXPWWAHXLX-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCCN4)cc2)C1 ZINC001241837608 1101740312 /nfs/dbraw/zinc/74/03/12/1101740312.db2.gz XZSNJSOKTAJSII-LJQANCHMSA-N 2 2 307.441 3.245 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCCN4)cc2)C1 ZINC001241837608 1101740322 /nfs/dbraw/zinc/74/03/22/1101740322.db2.gz XZSNJSOKTAJSII-LJQANCHMSA-N 2 2 307.441 3.245 20 0 DGADLP COc1cc(Cl)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241896060 1101770352 /nfs/dbraw/zinc/77/03/52/1101770352.db2.gz GOHVKHVLNOLSLQ-UHFFFAOYSA-N 2 2 313.788 3.350 20 0 DGADLP [NH3+]Cc1ccc(-c2ncnc3c2C[N@H+](Cc2ccccc2)C3)cc1 ZINC001241911823 1101778233 /nfs/dbraw/zinc/77/82/33/1101778233.db2.gz DIPVCEHFQORXGZ-UHFFFAOYSA-N 2 2 316.408 3.118 20 0 DGADLP [NH3+]Cc1ccc(-c2ncnc3c2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC001241911823 1101778243 /nfs/dbraw/zinc/77/82/43/1101778243.db2.gz DIPVCEHFQORXGZ-UHFFFAOYSA-N 2 2 316.408 3.118 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(OCC3CC3)nc2)C1 ZINC001242215400 1101987253 /nfs/dbraw/zinc/98/72/53/1101987253.db2.gz WNFBCTLJGJFTFP-GOSISDBHSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(OCC3CC3)nc2)C1 ZINC001242215400 1101987264 /nfs/dbraw/zinc/98/72/64/1101987264.db2.gz WNFBCTLJGJFTFP-GOSISDBHSA-N 2 2 323.440 3.070 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001198844626 1101999421 /nfs/dbraw/zinc/99/94/21/1101999421.db2.gz PAIYFHYMWITSDD-UHFFFAOYSA-N 2 2 305.372 3.308 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001198844626 1101999428 /nfs/dbraw/zinc/99/94/28/1101999428.db2.gz PAIYFHYMWITSDD-UHFFFAOYSA-N 2 2 305.372 3.308 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4cccnc4c3)cc2)C1 ZINC001242252772 1102010528 /nfs/dbraw/zinc/01/05/28/1102010528.db2.gz IUDRPWFXFSJIIT-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4cccnc4c3)cc2)C1 ZINC001242252772 1102010540 /nfs/dbraw/zinc/01/05/40/1102010540.db2.gz IUDRPWFXFSJIIT-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242285210 1102028747 /nfs/dbraw/zinc/02/87/47/1102028747.db2.gz PAODVDBPOGXJLJ-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242285210 1102028761 /nfs/dbraw/zinc/02/87/61/1102028761.db2.gz PAODVDBPOGXJLJ-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC001199178944 1102079997 /nfs/dbraw/zinc/07/99/97/1102079997.db2.gz OCIPASVPGXWEPP-PBHICJAKSA-N 2 2 301.459 3.305 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001199237578 1102088775 /nfs/dbraw/zinc/08/87/75/1102088775.db2.gz FIAXPBDSFCBFMH-UHFFFAOYSA-N 2 2 319.276 3.360 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001199237578 1102088785 /nfs/dbraw/zinc/08/87/85/1102088785.db2.gz FIAXPBDSFCBFMH-UHFFFAOYSA-N 2 2 319.276 3.360 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(OC(F)F)cc2)C1 ZINC001242441528 1102135931 /nfs/dbraw/zinc/13/59/31/1102135931.db2.gz BGWKQUOEKDVTEU-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(OC(F)F)cc2)C1 ZINC001242441528 1102135935 /nfs/dbraw/zinc/13/59/35/1102135935.db2.gz BGWKQUOEKDVTEU-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP O=c1[nH]c2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2o1 ZINC001199897317 1102231590 /nfs/dbraw/zinc/23/15/90/1102231590.db2.gz YCTHVQPYTZNFFX-UHFFFAOYSA-N 2 2 320.352 3.009 20 0 DGADLP CCc1cc(OC)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242700763 1102293143 /nfs/dbraw/zinc/29/31/43/1102293143.db2.gz PORNRGOYOMLNDJ-GOSISDBHSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(OC)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242700763 1102293152 /nfs/dbraw/zinc/29/31/52/1102293152.db2.gz PORNRGOYOMLNDJ-GOSISDBHSA-N 2 2 310.441 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC001242776850 1102334793 /nfs/dbraw/zinc/33/47/93/1102334793.db2.gz RDYJETHRXCPKRG-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC001242776850 1102334805 /nfs/dbraw/zinc/33/48/05/1102334805.db2.gz RDYJETHRXCPKRG-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP C[C@H]([NH3+])c1cccc(-c2cc(F)ccc2C[NH+]2CCOCC2)c1 ZINC001243101709 1102524403 /nfs/dbraw/zinc/52/44/03/1102524403.db2.gz PMIQTFRWICDTEY-AWEZNQCLSA-N 2 2 314.404 3.345 20 0 DGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527756 1102646552 /nfs/dbraw/zinc/64/65/52/1102646552.db2.gz DGLCJAJWQQSVSB-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527756 1102646561 /nfs/dbraw/zinc/64/65/61/1102646561.db2.gz DGLCJAJWQQSVSB-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201527756 1102646565 /nfs/dbraw/zinc/64/65/65/1102646565.db2.gz DGLCJAJWQQSVSB-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201527756 1102646572 /nfs/dbraw/zinc/64/65/72/1102646572.db2.gz DGLCJAJWQQSVSB-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527762 1102646675 /nfs/dbraw/zinc/64/66/75/1102646675.db2.gz DGLCJAJWQQSVSB-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527762 1102646681 /nfs/dbraw/zinc/64/66/81/1102646681.db2.gz DGLCJAJWQQSVSB-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201527762 1102646686 /nfs/dbraw/zinc/64/66/86/1102646686.db2.gz DGLCJAJWQQSVSB-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201527762 1102646692 /nfs/dbraw/zinc/64/66/92/1102646692.db2.gz DGLCJAJWQQSVSB-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP c1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001201661880 1102690237 /nfs/dbraw/zinc/69/02/37/1102690237.db2.gz VENUHXOCZZIXCO-BGYRXZFFSA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001201661880 1102690246 /nfs/dbraw/zinc/69/02/46/1102690246.db2.gz VENUHXOCZZIXCO-BGYRXZFFSA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001201661880 1102690255 /nfs/dbraw/zinc/69/02/55/1102690255.db2.gz VENUHXOCZZIXCO-BGYRXZFFSA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001201661880 1102690262 /nfs/dbraw/zinc/69/02/62/1102690262.db2.gz VENUHXOCZZIXCO-BGYRXZFFSA-N 2 2 321.468 3.078 20 0 DGADLP Cc1cc(NCc2ccnn2-c2cc[nH+]cc2)ccc1[NH+](C)C ZINC001201761284 1102720664 /nfs/dbraw/zinc/72/06/64/1102720664.db2.gz QMKPXGKJBXRZOU-UHFFFAOYSA-N 2 2 307.401 3.254 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cccc2c1OCCCO2)[NH+]1CCCCC1 ZINC001201954103 1102770350 /nfs/dbraw/zinc/77/03/50/1102770350.db2.gz HTNBISHOTZVYLX-INIZCTEOSA-N 2 2 318.461 3.202 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(CO)c3Cl)c2)C1 ZINC001243708533 1102930466 /nfs/dbraw/zinc/93/04/66/1102930466.db2.gz VENBRLMBSVRVGH-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(CO)c3Cl)c2)C1 ZINC001243708533 1102930477 /nfs/dbraw/zinc/93/04/77/1102930477.db2.gz VENBRLMBSVRVGH-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(C4CC4)cnc3F)cc2)C1 ZINC001243865860 1103017505 /nfs/dbraw/zinc/01/75/05/1103017505.db2.gz CLHKUYBJPKJCTL-KRWDZBQOSA-N 2 2 311.404 3.298 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(C4CC4)cnc3F)cc2)C1 ZINC001243865860 1103017520 /nfs/dbraw/zinc/01/75/20/1103017520.db2.gz CLHKUYBJPKJCTL-KRWDZBQOSA-N 2 2 311.404 3.298 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4ncc[nH]4)cc3)cc2)C1 ZINC001243978056 1103101272 /nfs/dbraw/zinc/10/12/72/1103101272.db2.gz GAXJCLWHKFTYCD-IBGZPJMESA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4ncc[nH]4)cc3)cc2)C1 ZINC001243978056 1103101281 /nfs/dbraw/zinc/10/12/81/1103101281.db2.gz GAXJCLWHKFTYCD-IBGZPJMESA-N 2 2 318.424 3.277 20 0 DGADLP CCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(OC)c1 ZINC001243999098 1103120168 /nfs/dbraw/zinc/12/01/68/1103120168.db2.gz GRSPCFPWPRYBPZ-UHFFFAOYSA-N 2 2 323.396 3.095 20 0 DGADLP CN(C)c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC001138493184 1103161261 /nfs/dbraw/zinc/16/12/61/1103161261.db2.gz RGHUMHJUYSXVSA-UHFFFAOYSA-N 2 2 307.507 3.264 20 0 DGADLP COCc1ccc(C)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244171811 1103253430 /nfs/dbraw/zinc/25/34/30/1103253430.db2.gz JPLHHZLSPPANJO-IBGZPJMESA-N 2 2 310.441 3.341 20 0 DGADLP COCc1ccc(C)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244171811 1103253439 /nfs/dbraw/zinc/25/34/39/1103253439.db2.gz JPLHHZLSPPANJO-IBGZPJMESA-N 2 2 310.441 3.341 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4[nH]c(=O)ccc4c3)c2)C1 ZINC001244235591 1103300255 /nfs/dbraw/zinc/30/02/55/1103300255.db2.gz CXXAZLCWZAZKIR-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4[nH]c(=O)ccc4c3)c2)C1 ZINC001244235591 1103300259 /nfs/dbraw/zinc/30/02/59/1103300259.db2.gz CXXAZLCWZAZKIR-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP CC[C@@H](CC(F)F)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001326745547 1103427062 /nfs/dbraw/zinc/42/70/62/1103427062.db2.gz RNBWDRFQQMBFMW-NSHDSACASA-N 2 2 308.332 3.196 20 0 DGADLP COc1ccc(C)c(F)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244569614 1103529244 /nfs/dbraw/zinc/52/92/44/1103529244.db2.gz RSAJKMAUENRNOS-UHFFFAOYSA-N 2 2 311.360 3.144 20 0 DGADLP CC[C@H](C)C[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001490705193 1103700040 /nfs/dbraw/zinc/70/00/40/1103700040.db2.gz JCCNLTDOQKVKIE-SJCJKPOMSA-N 2 2 317.477 3.151 20 0 DGADLP CNc1cc(-c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)cc[nH+]1 ZINC001244975616 1103788638 /nfs/dbraw/zinc/78/86/38/1103788638.db2.gz IOPNVMNPNDYOAX-IYOUNJFTSA-N 2 2 319.412 3.480 20 0 DGADLP COc1cc(C)c(C)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001245021458 1103807147 /nfs/dbraw/zinc/80/71/47/1103807147.db2.gz ZICJMGSJQXUZRU-UHFFFAOYSA-N 2 2 307.397 3.314 20 0 DGADLP Nc1c(Cl)cccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001245180841 1103894631 /nfs/dbraw/zinc/89/46/31/1103894631.db2.gz JNPDOPQYWNXZMC-ZDUSSCGKSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1c(Cl)cccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001245180841 1103894638 /nfs/dbraw/zinc/89/46/38/1103894638.db2.gz JNPDOPQYWNXZMC-ZDUSSCGKSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1c(Cl)cccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001245180837 1103895305 /nfs/dbraw/zinc/89/53/05/1103895305.db2.gz JNPDOPQYWNXZMC-CYBMUJFWSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1c(Cl)cccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001245180837 1103895314 /nfs/dbraw/zinc/89/53/14/1103895314.db2.gz JNPDOPQYWNXZMC-CYBMUJFWSA-N 2 2 301.821 3.122 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137059074 1103942975 /nfs/dbraw/zinc/94/29/75/1103942975.db2.gz LQHUMEYHGFUIIY-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137059074 1103942983 /nfs/dbraw/zinc/94/29/83/1103942983.db2.gz LQHUMEYHGFUIIY-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)ncc1C[NH+]1CCOCC1 ZINC001245347178 1103996369 /nfs/dbraw/zinc/99/63/69/1103996369.db2.gz QGSASFRLYYTVJX-IBGZPJMESA-N 2 2 323.440 3.005 20 0 DGADLP c1cn(Cc2ccc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)cc2)c[nH+]1 ZINC001245427672 1104047817 /nfs/dbraw/zinc/04/78/17/1104047817.db2.gz YOFXBNPOWPSDKD-HXUWFJFHSA-N 2 2 323.440 3.200 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccncc3C(F)(F)F)cc2)C1 ZINC001245446462 1104063244 /nfs/dbraw/zinc/06/32/44/1104063244.db2.gz JWRGNWPWDHAWDZ-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3C(F)(F)F)cc2)C1 ZINC001245446462 1104063254 /nfs/dbraw/zinc/06/32/54/1104063254.db2.gz JWRGNWPWDHAWDZ-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP COc1ccc2[nH]c(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc2c1 ZINC001245599256 1104144817 /nfs/dbraw/zinc/14/48/17/1104144817.db2.gz XARBHFPFMBEYEZ-KRWDZBQOSA-N 2 2 321.424 3.377 20 0 DGADLP COc1ccc2[nH]c(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc2c1 ZINC001245599256 1104144819 /nfs/dbraw/zinc/14/48/19/1104144819.db2.gz XARBHFPFMBEYEZ-KRWDZBQOSA-N 2 2 321.424 3.377 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCCCF)c(C)[nH+]1 ZINC001329086897 1104147680 /nfs/dbraw/zinc/14/76/80/1104147680.db2.gz QXZVONLQPGYGSV-LSDHHAIUSA-N 2 2 323.456 3.243 20 0 DGADLP Cc1cn2c(cccc2Nc2cccc(OCC[NH+](C)C)c2)[nH+]1 ZINC001212802825 1104168607 /nfs/dbraw/zinc/16/86/07/1104168607.db2.gz KHJIVHLQHYAJCT-UHFFFAOYSA-N 2 2 310.401 3.327 20 0 DGADLP COc1cc(Nc2cccc(OCC[NH+](C)C)c2)cc(C)[nH+]1 ZINC001212805184 1104170535 /nfs/dbraw/zinc/17/05/35/1104170535.db2.gz QWJHNMZIYMTXTQ-UHFFFAOYSA-N 2 2 301.390 3.083 20 0 DGADLP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504255 1104289619 /nfs/dbraw/zinc/28/96/19/1104289619.db2.gz ZKIXPMRYXFVRJN-DOMZBBRYSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504255 1104289624 /nfs/dbraw/zinc/28/96/24/1104289624.db2.gz ZKIXPMRYXFVRJN-DOMZBBRYSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001274221024 1104291416 /nfs/dbraw/zinc/29/14/16/1104291416.db2.gz LDGYYIJOBFTYEC-SREVYHEPSA-N 2 2 315.461 3.073 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000717547667 1104350244 /nfs/dbraw/zinc/35/02/44/1104350244.db2.gz BFYSYVRHEJAXIW-OAQYLSRUSA-N 2 2 324.468 3.316 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000717547667 1104350256 /nfs/dbraw/zinc/35/02/56/1104350256.db2.gz BFYSYVRHEJAXIW-OAQYLSRUSA-N 2 2 324.468 3.316 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246113282 1104391320 /nfs/dbraw/zinc/39/13/20/1104391320.db2.gz SQUFNQRWKGJCMR-UHTWSYAYSA-N 2 2 302.846 3.110 20 0 DGADLP CCCCC[C@@H](O)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052814 1104361371 /nfs/dbraw/zinc/36/13/71/1104361371.db2.gz OVGRRLBKDCEXOJ-GOSISDBHSA-N 2 2 322.468 3.321 20 0 DGADLP CCCCC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052814 1104361383 /nfs/dbraw/zinc/36/13/83/1104361383.db2.gz OVGRRLBKDCEXOJ-GOSISDBHSA-N 2 2 322.468 3.321 20 0 DGADLP COc1c(F)cc(F)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246074556 1104369486 /nfs/dbraw/zinc/36/94/86/1104369486.db2.gz DYMJRQSWOOOBCZ-DZGCQCFKSA-N 2 2 312.404 3.230 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cc(F)ccc2OC(F)(F)F)C[C@@H](C)[NH2+]1 ZINC001246075608 1104370236 /nfs/dbraw/zinc/37/02/36/1104370236.db2.gz JBPZWTVFKLWUJE-NXEZZACHSA-N 2 2 320.330 3.343 20 0 DGADLP CC[C@@H]1CC([NH2+]Cc2cc(F)cc(F)c2OC)C[C@@H](CC)[NH2+]1 ZINC001246078184 1104372220 /nfs/dbraw/zinc/37/22/20/1104372220.db2.gz VVWODVQUOCQSDH-ZIAGYGMSSA-N 2 2 312.404 3.372 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC[NH2+]1 ZINC001246077874 1104372345 /nfs/dbraw/zinc/37/23/45/1104372345.db2.gz XFOIJFJAGMMHHK-OLZOCXBDSA-N 2 2 320.330 3.345 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246090563 1104379766 /nfs/dbraw/zinc/37/97/66/1104379766.db2.gz BKWQREVOCXXKLK-XQQFMLRXSA-N 2 2 317.235 3.140 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]1 ZINC001246168285 1104415813 /nfs/dbraw/zinc/41/58/13/1104415813.db2.gz JMXACURIQRUCIU-QZTJIDSGSA-N 3 2 312.461 3.273 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC[NH2+]1 ZINC001246174903 1104420511 /nfs/dbraw/zinc/42/05/11/1104420511.db2.gz KFQSRHWKFKLVRB-IIDMSEBBSA-N 2 2 321.896 3.207 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246187869 1104427651 /nfs/dbraw/zinc/42/76/51/1104427651.db2.gz PHJLKOOIYUKFBI-QAPCUYQASA-N 2 2 314.404 3.417 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246184882 1104427790 /nfs/dbraw/zinc/42/77/90/1104427790.db2.gz VVNQTFSFPJFFTL-IAQYHMDHSA-N 2 2 302.796 3.091 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229268 1104447482 /nfs/dbraw/zinc/44/74/82/1104447482.db2.gz KRSBSQLXKXLATQ-QWRGUYRKSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246251483 1104458992 /nfs/dbraw/zinc/45/89/92/1104458992.db2.gz PJQDFZQBZMBOLU-LPHOPBHVSA-N 2 2 310.441 3.463 20 0 DGADLP FC(F)(F)Oc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246260814 1104463892 /nfs/dbraw/zinc/46/38/92/1104463892.db2.gz SZVYCHVPJWQOAS-BXUZGUMPSA-N 2 2 314.351 3.304 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246278182 1104470558 /nfs/dbraw/zinc/47/05/58/1104470558.db2.gz FATDJCJTTDVXSO-ROUUACIJSA-N 2 2 300.833 3.487 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(-c3cccc(Cl)c3)no2)CC[NH2+]1 ZINC001246308063 1104482400 /nfs/dbraw/zinc/48/24/00/1104482400.db2.gz IQJUYUOTBSJJCQ-SMDDNHRTSA-N 2 2 305.809 3.225 20 0 DGADLP CC[C@@H]1CC([NH2+]Cc2cccc(OC3CCC3)n2)C[C@@H](CC)[NH2+]1 ZINC001246372226 1104513572 /nfs/dbraw/zinc/51/35/72/1104513572.db2.gz YMDHXXATBLJPDI-HUUCEWRRSA-N 2 2 317.477 3.412 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC001246442408 1104542385 /nfs/dbraw/zinc/54/23/85/1104542385.db2.gz RPSZQCHQTFJRBM-ZDUSSCGKSA-N 2 2 316.367 3.336 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@]1(CC3CC3)CCC[NH2+]1)CO2 ZINC001246463829 1104549170 /nfs/dbraw/zinc/54/91/70/1104549170.db2.gz XFTJZTAFTHXPCI-FUHWJXTLSA-N 2 2 320.864 3.155 20 0 DGADLP Brc1ccc2c(c1)NCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246502809 1104568667 /nfs/dbraw/zinc/56/86/67/1104568667.db2.gz XMDUPFQCSNBBCX-OCCSQVGLSA-N 2 2 324.266 3.038 20 0 DGADLP Brc1ccc2c(c1)NCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246502803 1104568958 /nfs/dbraw/zinc/56/89/58/1104568958.db2.gz XMDUPFQCSNBBCX-GXTWGEPZSA-N 2 2 324.266 3.038 20 0 DGADLP CCCCC[C@H](CC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522472 1104575331 /nfs/dbraw/zinc/57/53/31/1104575331.db2.gz CTOYIIHEHHQWSP-IRXDYDNUSA-N 2 2 306.450 3.422 20 0 DGADLP CCCCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522412 1104575714 /nfs/dbraw/zinc/57/57/14/1104575714.db2.gz CNBGHQNYLLRWMQ-YOEHRIQHSA-N 2 2 306.450 3.422 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001275040580 1104586289 /nfs/dbraw/zinc/58/62/89/1104586289.db2.gz NUEWCDVREVBUAK-MJGOQNOKSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001275040580 1104586297 /nfs/dbraw/zinc/58/62/97/1104586297.db2.gz NUEWCDVREVBUAK-MJGOQNOKSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC=CCC1)C2 ZINC001275040580 1104586307 /nfs/dbraw/zinc/58/63/07/1104586307.db2.gz NUEWCDVREVBUAK-MJGOQNOKSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC=CCC1)C2 ZINC001275040580 1104586309 /nfs/dbraw/zinc/58/63/09/1104586309.db2.gz NUEWCDVREVBUAK-MJGOQNOKSA-N 2 2 314.477 3.054 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054703 1104593927 /nfs/dbraw/zinc/59/39/27/1104593927.db2.gz GHMRSMVQXLAGNT-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054703 1104593933 /nfs/dbraw/zinc/59/39/33/1104593933.db2.gz GHMRSMVQXLAGNT-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054703 1104593939 /nfs/dbraw/zinc/59/39/39/1104593939.db2.gz GHMRSMVQXLAGNT-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054703 1104593944 /nfs/dbraw/zinc/59/39/44/1104593944.db2.gz GHMRSMVQXLAGNT-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]CC(C)(C)C)(C1)CCC2 ZINC001275051290 1104594353 /nfs/dbraw/zinc/59/43/53/1104594353.db2.gz VLQOYCJQOKUKER-RBUKOAKNSA-N 2 2 318.509 3.474 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575308 1104601243 /nfs/dbraw/zinc/60/12/43/1104601243.db2.gz WOQPPAZOFCOJTR-BXUZGUMPSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575308 1104601248 /nfs/dbraw/zinc/60/12/48/1104601248.db2.gz WOQPPAZOFCOJTR-BXUZGUMPSA-N 2 2 313.272 3.392 20 0 DGADLP CCC(CC)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275068974 1104605890 /nfs/dbraw/zinc/60/58/90/1104605890.db2.gz BXASFJVFVWZLPQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CCC(CC)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275068974 1104605895 /nfs/dbraw/zinc/60/58/95/1104605895.db2.gz BXASFJVFVWZLPQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CCC(CC)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275068974 1104605903 /nfs/dbraw/zinc/60/59/03/1104605903.db2.gz BXASFJVFVWZLPQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CCC(CC)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275068974 1104605910 /nfs/dbraw/zinc/60/59/10/1104605910.db2.gz BXASFJVFVWZLPQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CCC(CC)C[NH+]1CCC2(C[NH+](Cc3nccn3CC)C2)CC1 ZINC001275069021 1104605943 /nfs/dbraw/zinc/60/59/43/1104605943.db2.gz CWJJXJDWQBPCEL-UHFFFAOYSA-N 2 2 318.509 3.237 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246601074 1104618765 /nfs/dbraw/zinc/61/87/65/1104618765.db2.gz GHYMYTMAJNNZMA-HXUWFJFHSA-N 3 2 321.553 3.495 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246601074 1104618772 /nfs/dbraw/zinc/61/87/72/1104618772.db2.gz GHYMYTMAJNNZMA-HXUWFJFHSA-N 3 2 321.553 3.495 20 0 DGADLP c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613745 1104628824 /nfs/dbraw/zinc/62/88/24/1104628824.db2.gz MDCPWOKCGSAPPW-WMZOPIPTSA-N 2 2 302.487 3.312 20 0 DGADLP c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613745 1104628825 /nfs/dbraw/zinc/62/88/25/1104628825.db2.gz MDCPWOKCGSAPPW-WMZOPIPTSA-N 2 2 302.487 3.312 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615930 1104629530 /nfs/dbraw/zinc/62/95/30/1104629530.db2.gz XSMLOBZZSYHCTK-XJKSGUPXSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615930 1104629538 /nfs/dbraw/zinc/62/95/38/1104629538.db2.gz XSMLOBZZSYHCTK-XJKSGUPXSA-N 2 2 323.278 3.208 20 0 DGADLP CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120080 1104635321 /nfs/dbraw/zinc/63/53/21/1104635321.db2.gz DDZCFFMHIATYRM-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP CCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120080 1104635326 /nfs/dbraw/zinc/63/53/26/1104635326.db2.gz DDZCFFMHIATYRM-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP CCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120080 1104635334 /nfs/dbraw/zinc/63/53/34/1104635334.db2.gz DDZCFFMHIATYRM-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275120080 1104635340 /nfs/dbraw/zinc/63/53/40/1104635340.db2.gz DDZCFFMHIATYRM-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246640470 1104639993 /nfs/dbraw/zinc/63/99/93/1104639993.db2.gz DLJUEJRRLHHGNX-ZDUSSCGKSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640470 1104639995 /nfs/dbraw/zinc/63/99/95/1104639995.db2.gz DLJUEJRRLHHGNX-ZDUSSCGKSA-N 2 2 323.278 3.208 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246641767 1104641715 /nfs/dbraw/zinc/64/17/15/1104641715.db2.gz XSNSCXQRVATMDJ-DAXOMENPSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246641767 1104641719 /nfs/dbraw/zinc/64/17/19/1104641719.db2.gz XSNSCXQRVATMDJ-DAXOMENPSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649182 1104645786 /nfs/dbraw/zinc/64/57/86/1104645786.db2.gz AUEMUBVGAHMVOM-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649182 1104645788 /nfs/dbraw/zinc/64/57/88/1104645788.db2.gz AUEMUBVGAHMVOM-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1(C)C ZINC001246651524 1104647295 /nfs/dbraw/zinc/64/72/95/1104647295.db2.gz MFGZABLCZRJSKJ-IBGZPJMESA-N 3 2 307.526 3.246 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1(C)C ZINC001246651524 1104647299 /nfs/dbraw/zinc/64/72/99/1104647299.db2.gz MFGZABLCZRJSKJ-IBGZPJMESA-N 3 2 307.526 3.246 20 0 DGADLP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654704 1104649837 /nfs/dbraw/zinc/64/98/37/1104649837.db2.gz KWVIKBRWLFTXKO-GRDNDAEWSA-N 2 2 308.491 3.493 20 0 DGADLP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654704 1104649842 /nfs/dbraw/zinc/64/98/42/1104649842.db2.gz KWVIKBRWLFTXKO-GRDNDAEWSA-N 2 2 308.491 3.493 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652118 1104649898 /nfs/dbraw/zinc/64/98/98/1104649898.db2.gz NXDBBAQEWPLENS-FUHWJXTLSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652118 1104649902 /nfs/dbraw/zinc/64/99/02/1104649902.db2.gz NXDBBAQEWPLENS-FUHWJXTLSA-N 2 2 310.482 3.107 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCc3cccc(Br)c3C2)C[C@@H](C)[NH2+]1 ZINC001246659773 1104653094 /nfs/dbraw/zinc/65/30/94/1104653094.db2.gz GUZNYLIJGONRDN-VXGBXAGGSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1CC([N@H+]2CCc3cccc(Br)c3C2)C[C@@H](C)[NH2+]1 ZINC001246659773 1104653099 /nfs/dbraw/zinc/65/30/99/1104653099.db2.gz GUZNYLIJGONRDN-VXGBXAGGSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C[NH2+]1 ZINC001246733161 1104665912 /nfs/dbraw/zinc/66/59/12/1104665912.db2.gz JYELAODTGODSEY-NZSAHSFTSA-N 2 2 314.473 3.166 20 0 DGADLP c1ccc(C[C@H]2C[C@@H]([N@@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780343 1104670273 /nfs/dbraw/zinc/67/02/73/1104670273.db2.gz CQYYPVCTKBLZPI-PMACEKPBSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780343 1104670281 /nfs/dbraw/zinc/67/02/81/1104670281.db2.gz CQYYPVCTKBLZPI-PMACEKPBSA-N 2 2 322.452 3.244 20 0 DGADLP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782020 1104672462 /nfs/dbraw/zinc/67/24/62/1104672462.db2.gz WRARHNSSZZAPLO-DLBZAZTESA-N 2 2 319.468 3.259 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782022 1104672566 /nfs/dbraw/zinc/67/25/66/1104672566.db2.gz WRARHNSSZZAPLO-IAGOWNOFSA-N 2 2 319.468 3.259 20 0 DGADLP Clc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246812392 1104686781 /nfs/dbraw/zinc/68/67/81/1104686781.db2.gz ZPUJYUNLVCDYIX-MUJYYYPQSA-N 2 2 319.880 3.135 20 0 DGADLP CCCCC[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001322621638 1104688053 /nfs/dbraw/zinc/68/80/53/1104688053.db2.gz CUMBCKUXSSNROQ-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246818858 1104689912 /nfs/dbraw/zinc/68/99/12/1104689912.db2.gz BYVQBEVTHFGZTA-DLTLXFJOSA-N 2 2 308.466 3.445 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246818858 1104689915 /nfs/dbraw/zinc/68/99/15/1104689915.db2.gz BYVQBEVTHFGZTA-DLTLXFJOSA-N 2 2 308.466 3.445 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2C(C)C)CC[NH2+]1 ZINC001246836224 1104697587 /nfs/dbraw/zinc/69/75/87/1104697587.db2.gz NGCKGCIWNUCOCN-NEWSRXKRSA-N 2 2 320.452 3.284 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCOC[C@H]2C(C)C)CC[NH2+]1 ZINC001246836224 1104697592 /nfs/dbraw/zinc/69/75/92/1104697592.db2.gz NGCKGCIWNUCOCN-NEWSRXKRSA-N 2 2 320.452 3.284 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246836227 1104697826 /nfs/dbraw/zinc/69/78/26/1104697826.db2.gz NGCKGCIWNUCOCN-YTQUADARSA-N 2 2 320.452 3.284 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246836227 1104697834 /nfs/dbraw/zinc/69/78/34/1104697834.db2.gz NGCKGCIWNUCOCN-YTQUADARSA-N 2 2 320.452 3.284 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866159 1104712254 /nfs/dbraw/zinc/71/22/54/1104712254.db2.gz ARFSKDNYFVHBNE-UFYCRDLUSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866159 1104712263 /nfs/dbraw/zinc/71/22/63/1104712263.db2.gz ARFSKDNYFVHBNE-UFYCRDLUSA-N 2 2 316.489 3.241 20 0 DGADLP Fc1ccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCCSC2)cc1 ZINC001246936232 1104743233 /nfs/dbraw/zinc/74/32/33/1104743233.db2.gz MWGFSGAGUUEOQC-IAGOWNOFSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1ccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCCSC2)cc1 ZINC001246936232 1104743236 /nfs/dbraw/zinc/74/32/36/1104743236.db2.gz MWGFSGAGUUEOQC-IAGOWNOFSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@@H+]([C@@H]2CCCSC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246938110 1104744053 /nfs/dbraw/zinc/74/40/53/1104744053.db2.gz QSILNSLWKHWVLV-DLBZAZTESA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@H+]([C@@H]2CCCSC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246938110 1104744057 /nfs/dbraw/zinc/74/40/57/1104744057.db2.gz QSILNSLWKHWVLV-DLBZAZTESA-N 2 2 308.466 3.275 20 0 DGADLP C[C@H]1C[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246947620 1104748893 /nfs/dbraw/zinc/74/88/93/1104748893.db2.gz GHNVPLDGQZLHDR-JFRXWTBNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246947620 1104748898 /nfs/dbraw/zinc/74/88/98/1104748898.db2.gz GHNVPLDGQZLHDR-JFRXWTBNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246951010 1104749809 /nfs/dbraw/zinc/74/98/09/1104749809.db2.gz AKYGOEJSLQYJMA-FPAYPSAMSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246951010 1104749812 /nfs/dbraw/zinc/74/98/12/1104749812.db2.gz AKYGOEJSLQYJMA-FPAYPSAMSA-N 2 2 301.478 3.460 20 0 DGADLP Clc1ccccc1C[N@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246953141 1104751348 /nfs/dbraw/zinc/75/13/48/1104751348.db2.gz LUNCNKFTGQEXIM-OAHLLOKOSA-N 2 2 310.894 3.400 20 0 DGADLP Clc1ccccc1C[N@@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC001246953141 1104751352 /nfs/dbraw/zinc/75/13/52/1104751352.db2.gz LUNCNKFTGQEXIM-OAHLLOKOSA-N 2 2 310.894 3.400 20 0 DGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980506 1104760886 /nfs/dbraw/zinc/76/08/86/1104760886.db2.gz RKGWSVJTXCLGQO-KBAYOESNSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980506 1104760890 /nfs/dbraw/zinc/76/08/90/1104760890.db2.gz RKGWSVJTXCLGQO-KBAYOESNSA-N 2 2 322.493 3.105 20 0 DGADLP CCCCCC[C@H](CCC)[N@@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246989337 1104764606 /nfs/dbraw/zinc/76/46/06/1104764606.db2.gz QUWVUGRNLRVZRN-LNLFQRSKSA-N 2 2 324.509 3.353 20 0 DGADLP CCCCCC[C@H](CCC)[N@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246989337 1104764613 /nfs/dbraw/zinc/76/46/13/1104764613.db2.gz QUWVUGRNLRVZRN-LNLFQRSKSA-N 2 2 324.509 3.353 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246993622 1104767304 /nfs/dbraw/zinc/76/73/04/1104767304.db2.gz OPDQNWAUFDJSGJ-ROUUACIJSA-N 3 2 309.542 3.349 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246993622 1104767309 /nfs/dbraw/zinc/76/73/09/1104767309.db2.gz OPDQNWAUFDJSGJ-ROUUACIJSA-N 3 2 309.542 3.349 20 0 DGADLP C[C@H]1Cc2cc(Br)ccc2C[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246996385 1104768522 /nfs/dbraw/zinc/76/85/22/1104768522.db2.gz NXUQGYIPQFPPIJ-BLLLJJGKSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2cc(Br)ccc2C[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246996385 1104768526 /nfs/dbraw/zinc/76/85/26/1104768526.db2.gz NXUQGYIPQFPPIJ-BLLLJJGKSA-N 2 2 323.278 3.338 20 0 DGADLP CC[C@@H]1CC([N@H+](C)Cc2cccc3c2OCO3)C[C@@H](CC)[NH2+]1 ZINC001246996722 1104769256 /nfs/dbraw/zinc/76/92/56/1104769256.db2.gz ZKGIFRZXBIVQOE-HUUCEWRRSA-N 2 2 304.434 3.156 20 0 DGADLP CC[C@@H]1CC([N@@H+](C)Cc2cccc3c2OCO3)C[C@@H](CC)[NH2+]1 ZINC001246996722 1104769261 /nfs/dbraw/zinc/76/92/61/1104769261.db2.gz ZKGIFRZXBIVQOE-HUUCEWRRSA-N 2 2 304.434 3.156 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998402 1104770037 /nfs/dbraw/zinc/77/00/37/1104770037.db2.gz FYKRQHAZAOWFNU-DLBZAZTESA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998402 1104770042 /nfs/dbraw/zinc/77/00/42/1104770042.db2.gz FYKRQHAZAOWFNU-DLBZAZTESA-N 2 2 302.462 3.405 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001427 1104771654 /nfs/dbraw/zinc/77/16/54/1104771654.db2.gz IPNSPWYXRLMQQB-DYEKYZERSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001427 1104771656 /nfs/dbraw/zinc/77/16/56/1104771656.db2.gz IPNSPWYXRLMQQB-DYEKYZERSA-N 2 2 323.278 3.336 20 0 DGADLP Fc1cccc2c1CC[C@]21CCC[N@@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC001247000334 1104771739 /nfs/dbraw/zinc/77/17/39/1104771739.db2.gz WAPABRKOYCJEGI-BEFAXECRSA-N 2 2 302.437 3.248 20 0 DGADLP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC001247000334 1104771743 /nfs/dbraw/zinc/77/17/43/1104771743.db2.gz WAPABRKOYCJEGI-BEFAXECRSA-N 2 2 302.437 3.248 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002266 1104773164 /nfs/dbraw/zinc/77/31/64/1104773164.db2.gz SRXYVVNRGOCPFA-PVAVHDDUSA-N 2 2 302.462 3.404 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002266 1104773168 /nfs/dbraw/zinc/77/31/68/1104773168.db2.gz SRXYVVNRGOCPFA-PVAVHDDUSA-N 2 2 302.462 3.404 20 0 DGADLP CCCOc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275698507 1104869307 /nfs/dbraw/zinc/86/93/07/1104869307.db2.gz AFPSIAYRCOYBHH-LJQANCHMSA-N 2 2 302.462 3.393 20 0 DGADLP CCCOc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275698507 1104869310 /nfs/dbraw/zinc/86/93/10/1104869310.db2.gz AFPSIAYRCOYBHH-LJQANCHMSA-N 2 2 302.462 3.393 20 0 DGADLP CCCOc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275698507 1104869316 /nfs/dbraw/zinc/86/93/16/1104869316.db2.gz AFPSIAYRCOYBHH-LJQANCHMSA-N 2 2 302.462 3.393 20 0 DGADLP CCCOc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001275698507 1104869322 /nfs/dbraw/zinc/86/93/22/1104869322.db2.gz AFPSIAYRCOYBHH-LJQANCHMSA-N 2 2 302.462 3.393 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@@H]4C[C@H]3C[NH+](C)C4)ccc2c1 ZINC001276012924 1104988142 /nfs/dbraw/zinc/98/81/42/1104988142.db2.gz SPOQHHTWBSIEFR-UZLBHIALSA-N 2 2 309.457 3.042 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3C[C@@H]4C[C@H]3C[NH+](C)C4)ccc2c1 ZINC001276012924 1104988148 /nfs/dbraw/zinc/98/81/48/1104988148.db2.gz SPOQHHTWBSIEFR-UZLBHIALSA-N 2 2 309.457 3.042 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[C@H]3C[N@H+](C)C4)ccc2c1 ZINC001276012924 1104988150 /nfs/dbraw/zinc/98/81/50/1104988150.db2.gz SPOQHHTWBSIEFR-UZLBHIALSA-N 2 2 309.457 3.042 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@@H]4C[C@H]3C[N@@H+](C)C4)ccc2c1 ZINC001276012924 1104988155 /nfs/dbraw/zinc/98/81/55/1104988155.db2.gz SPOQHHTWBSIEFR-UZLBHIALSA-N 2 2 309.457 3.042 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276050357 1105005879 /nfs/dbraw/zinc/00/58/79/1105005879.db2.gz VUSJOOKWLCAACH-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276050357 1105005886 /nfs/dbraw/zinc/00/58/86/1105005886.db2.gz VUSJOOKWLCAACH-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cn1 ZINC001276050357 1105005892 /nfs/dbraw/zinc/00/58/92/1105005892.db2.gz VUSJOOKWLCAACH-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276050357 1105005899 /nfs/dbraw/zinc/00/58/99/1105005899.db2.gz VUSJOOKWLCAACH-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nccs1)Cc1ccccc12 ZINC001276182748 1105040739 /nfs/dbraw/zinc/04/07/39/1105040739.db2.gz JRLDPMMXVFPYPN-UHFFFAOYSA-N 2 2 313.470 3.122 20 0 DGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nccs1)Cc1ccccc12 ZINC001276182748 1105040744 /nfs/dbraw/zinc/04/07/44/1105040744.db2.gz JRLDPMMXVFPYPN-UHFFFAOYSA-N 2 2 313.470 3.122 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(CN(Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276206151 1105047110 /nfs/dbraw/zinc/04/71/10/1105047110.db2.gz DDDXFKFVMLHQHR-MRXNPFEDSA-N 2 2 304.482 3.052 20 0 DGADLP CCCCc1[nH]c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c[nH+]1 ZINC001276217808 1105052402 /nfs/dbraw/zinc/05/24/02/1105052402.db2.gz SCMJHSADNSJJEU-UHFFFAOYSA-N 2 2 316.493 3.203 20 0 DGADLP CCCCc1[nH]c(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c[nH+]1 ZINC001276217808 1105052408 /nfs/dbraw/zinc/05/24/08/1105052408.db2.gz SCMJHSADNSJJEU-UHFFFAOYSA-N 2 2 316.493 3.203 20 0 DGADLP CCCCc1[nH]cc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)[nH+]1 ZINC001276217808 1105052415 /nfs/dbraw/zinc/05/24/15/1105052415.db2.gz SCMJHSADNSJJEU-UHFFFAOYSA-N 2 2 316.493 3.203 20 0 DGADLP CCCCc1[nH]cc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)[nH+]1 ZINC001276217808 1105052419 /nfs/dbraw/zinc/05/24/19/1105052419.db2.gz SCMJHSADNSJJEU-UHFFFAOYSA-N 2 2 316.493 3.203 20 0 DGADLP Cn1ccc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)n1 ZINC001248766752 1105158547 /nfs/dbraw/zinc/15/85/47/1105158547.db2.gz FMFRODFURTYNFQ-UHFFFAOYSA-N 2 2 321.428 3.121 20 0 DGADLP CC[C@H](C)[C@@H]([NH2+]C)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001249358840 1105273187 /nfs/dbraw/zinc/27/31/87/1105273187.db2.gz JJRSYRIOMODEET-SWLSCSKDSA-N 2 2 311.389 3.229 20 0 DGADLP COc1cc(OC)c(C[N@H+](C)CCC[NH+](C)C)c2ccccc12 ZINC001249442991 1105288526 /nfs/dbraw/zinc/28/85/26/1105288526.db2.gz KWXFZHPICCBQPT-UHFFFAOYSA-N 2 2 316.445 3.241 20 0 DGADLP COc1cc(OC)c(C[N@@H+](C)CCC[NH+](C)C)c2ccccc12 ZINC001249442991 1105288527 /nfs/dbraw/zinc/28/85/27/1105288527.db2.gz KWXFZHPICCBQPT-UHFFFAOYSA-N 2 2 316.445 3.241 20 0 DGADLP CCN1CCc2ccc(C[NH+]3CCC([NH+](CC)CC)CC3)cc21 ZINC001249668617 1105350912 /nfs/dbraw/zinc/35/09/12/1105350912.db2.gz ZTXVYGOFECBKOO-UHFFFAOYSA-N 2 2 315.505 3.375 20 0 DGADLP Cc1ccc2[nH+]cc(CN(C)CC[N@H+](C)Cc3ccccc3)n2c1 ZINC001137312207 1105478479 /nfs/dbraw/zinc/47/84/79/1105478479.db2.gz LORPXQSLGWYHNZ-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Cc1ccc2[nH+]cc(CN(C)CC[N@@H+](C)Cc3ccccc3)n2c1 ZINC001137312207 1105478482 /nfs/dbraw/zinc/47/84/82/1105478482.db2.gz LORPXQSLGWYHNZ-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP CCCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001252098867 1105739111 /nfs/dbraw/zinc/73/91/11/1105739111.db2.gz WLMIZTDPXXWGFK-GOSISDBHSA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001252098867 1105739112 /nfs/dbraw/zinc/73/91/12/1105739112.db2.gz WLMIZTDPXXWGFK-GOSISDBHSA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cc(C)cc(F)c2)CC1 ZINC001252119510 1105743796 /nfs/dbraw/zinc/74/37/96/1105743796.db2.gz ZFYVOLVPYXUZMP-LJQANCHMSA-N 2 2 322.468 3.239 20 0 DGADLP CC[NH+](CC)C[C@H](O)CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001253178764 1105899342 /nfs/dbraw/zinc/89/93/42/1105899342.db2.gz KEZAMCUFTLRFOZ-QGZVFWFLSA-N 2 2 317.408 3.002 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC001253746923 1105979299 /nfs/dbraw/zinc/97/92/99/1105979299.db2.gz DFCBWQHIKJWOJW-SFHVURJKSA-N 2 2 322.468 3.095 20 0 DGADLP c1cn(Cc2noc3c2C[N@@H+](C2CCC4(CC4)CC2)CC3)c[nH+]1 ZINC001254443412 1106071547 /nfs/dbraw/zinc/07/15/47/1106071547.db2.gz YWLZTWYWHIJQKW-UHFFFAOYSA-N 2 2 312.417 3.000 20 0 DGADLP c1cn(Cc2noc3c2C[N@H+](C2CCC4(CC4)CC2)CC3)c[nH+]1 ZINC001254443412 1106071551 /nfs/dbraw/zinc/07/15/51/1106071551.db2.gz YWLZTWYWHIJQKW-UHFFFAOYSA-N 2 2 312.417 3.000 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506628 1106084839 /nfs/dbraw/zinc/08/48/39/1106084839.db2.gz VUAGIYNFGGPTNG-IUODEOHRSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506628 1106084845 /nfs/dbraw/zinc/08/48/45/1106084845.db2.gz VUAGIYNFGGPTNG-IUODEOHRSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[NH+](C)CC1 ZINC001254518132 1106091329 /nfs/dbraw/zinc/09/13/29/1106091329.db2.gz AWMXILVAIFTLTA-GFCCVEGCSA-N 2 2 301.356 3.017 20 0 DGADLP C[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[NH+](C)CC1 ZINC001254518132 1106091337 /nfs/dbraw/zinc/09/13/37/1106091337.db2.gz AWMXILVAIFTLTA-GFCCVEGCSA-N 2 2 301.356 3.017 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[N@H+](C)CC1 ZINC001254518132 1106091342 /nfs/dbraw/zinc/09/13/42/1106091342.db2.gz AWMXILVAIFTLTA-GFCCVEGCSA-N 2 2 301.356 3.017 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254518132 1106091348 /nfs/dbraw/zinc/09/13/48/1106091348.db2.gz AWMXILVAIFTLTA-GFCCVEGCSA-N 2 2 301.356 3.017 20 0 DGADLP C[N@H+]([C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531894 1106096271 /nfs/dbraw/zinc/09/62/71/1106096271.db2.gz MRAQUULSHHCQBP-UXHICEINSA-N 2 2 315.505 3.067 20 0 DGADLP C[N@@H+]([C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531894 1106096276 /nfs/dbraw/zinc/09/62/76/1106096276.db2.gz MRAQUULSHHCQBP-UXHICEINSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531894 1106096279 /nfs/dbraw/zinc/09/62/79/1106096279.db2.gz MRAQUULSHHCQBP-UXHICEINSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531894 1106096285 /nfs/dbraw/zinc/09/62/85/1106096285.db2.gz MRAQUULSHHCQBP-UXHICEINSA-N 2 2 315.505 3.067 20 0 DGADLP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC001254618565 1106114270 /nfs/dbraw/zinc/11/42/70/1106114270.db2.gz AULJRUGLCYBJQZ-KRWDZBQOSA-N 2 2 317.452 3.011 20 0 DGADLP Fc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC2)cc1 ZINC001254618565 1106114271 /nfs/dbraw/zinc/11/42/71/1106114271.db2.gz AULJRUGLCYBJQZ-KRWDZBQOSA-N 2 2 317.452 3.011 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)C1CCN(c2ccc(F)cc2)CC1 ZINC001254633435 1106117722 /nfs/dbraw/zinc/11/77/22/1106117722.db2.gz NCOVXYINVLPLAJ-UHFFFAOYSA-N 2 2 316.424 3.013 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCN(c2ccc(F)cc2)CC1 ZINC001254633435 1106117724 /nfs/dbraw/zinc/11/77/24/1106117724.db2.gz NCOVXYINVLPLAJ-UHFFFAOYSA-N 2 2 316.424 3.013 20 0 DGADLP Brc1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254833580 1106146034 /nfs/dbraw/zinc/14/60/34/1106146034.db2.gz PSDKLUQVICSTFM-MRXNPFEDSA-N 2 2 323.278 3.066 20 0 DGADLP c1ccc(N2CCC(C[NH2+]C3Cc4ccccc4C3)CC2)[nH+]c1 ZINC001255016292 1106166153 /nfs/dbraw/zinc/16/61/53/1106166153.db2.gz QFHWLEUZHAJOPW-UHFFFAOYSA-N 2 2 307.441 3.055 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC001255136387 1106187360 /nfs/dbraw/zinc/18/73/60/1106187360.db2.gz KFEUBZFYNUYDCX-ZJXIFLPPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC001255136387 1106187361 /nfs/dbraw/zinc/18/73/61/1106187361.db2.gz KFEUBZFYNUYDCX-ZJXIFLPPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148648 1106190872 /nfs/dbraw/zinc/19/08/72/1106190872.db2.gz YCCPHZLFNMOSOJ-ZJXIFLPPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148648 1106190876 /nfs/dbraw/zinc/19/08/76/1106190876.db2.gz YCCPHZLFNMOSOJ-ZJXIFLPPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148648 1106190880 /nfs/dbraw/zinc/19/08/80/1106190880.db2.gz YCCPHZLFNMOSOJ-ZJXIFLPPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148648 1106190882 /nfs/dbraw/zinc/19/08/82/1106190882.db2.gz YCCPHZLFNMOSOJ-ZJXIFLPPSA-N 2 2 314.473 3.291 20 0 DGADLP C[N@H+](Cc1ccncn1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150725 1106191428 /nfs/dbraw/zinc/19/14/28/1106191428.db2.gz YBEMRBAVJSRBJC-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP C[N@@H+](Cc1ccncn1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150725 1106191431 /nfs/dbraw/zinc/19/14/31/1106191431.db2.gz YBEMRBAVJSRBJC-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1ccncn1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150725 1106191433 /nfs/dbraw/zinc/19/14/33/1106191433.db2.gz YBEMRBAVJSRBJC-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1ccncn1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150725 1106191436 /nfs/dbraw/zinc/19/14/36/1106191436.db2.gz YBEMRBAVJSRBJC-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC001255273934 1106213496 /nfs/dbraw/zinc/21/34/96/1106213496.db2.gz IEQZMYROLZPXDW-INIZCTEOSA-N 2 2 308.466 3.194 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404528 1106244426 /nfs/dbraw/zinc/24/44/26/1106244426.db2.gz JROMYSQYSUQBMA-NSHGMRRFSA-N 2 2 315.505 3.066 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404528 1106244430 /nfs/dbraw/zinc/24/44/30/1106244430.db2.gz JROMYSQYSUQBMA-NSHGMRRFSA-N 2 2 315.505 3.066 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404528 1106244436 /nfs/dbraw/zinc/24/44/36/1106244436.db2.gz JROMYSQYSUQBMA-NSHGMRRFSA-N 2 2 315.505 3.066 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404528 1106244439 /nfs/dbraw/zinc/24/44/39/1106244439.db2.gz JROMYSQYSUQBMA-NSHGMRRFSA-N 2 2 315.505 3.066 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CCO1 ZINC001255529443 1106264552 /nfs/dbraw/zinc/26/45/52/1106264552.db2.gz JCDGURCFGOAYKT-MOPGFXCFSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@@H](CC(F)(F)F)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001255654096 1106286859 /nfs/dbraw/zinc/28/68/59/1106286859.db2.gz YYZYAHOJTDJUPA-RWMBFGLXSA-N 2 2 318.408 3.453 20 0 DGADLP C[C@@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001255654096 1106286860 /nfs/dbraw/zinc/28/68/60/1106286860.db2.gz YYZYAHOJTDJUPA-RWMBFGLXSA-N 2 2 318.408 3.453 20 0 DGADLP C[C@@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001255654096 1106286861 /nfs/dbraw/zinc/28/68/61/1106286861.db2.gz YYZYAHOJTDJUPA-RWMBFGLXSA-N 2 2 318.408 3.453 20 0 DGADLP C[C@@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001255654096 1106286863 /nfs/dbraw/zinc/28/68/63/1106286863.db2.gz YYZYAHOJTDJUPA-RWMBFGLXSA-N 2 2 318.408 3.453 20 0 DGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711635 1106299774 /nfs/dbraw/zinc/29/97/74/1106299774.db2.gz DIJLPSBPNVSBAC-DZGCQCFKSA-N 2 2 322.415 3.150 20 0 DGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711635 1106299776 /nfs/dbraw/zinc/29/97/76/1106299776.db2.gz DIJLPSBPNVSBAC-DZGCQCFKSA-N 2 2 322.415 3.150 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001255870212 1106333698 /nfs/dbraw/zinc/33/36/98/1106333698.db2.gz DKAGFNISWDAVOB-OAHLLOKOSA-N 2 2 302.437 3.174 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001255870212 1106333700 /nfs/dbraw/zinc/33/37/00/1106333700.db2.gz DKAGFNISWDAVOB-OAHLLOKOSA-N 2 2 302.437 3.174 20 0 DGADLP Clc1cnccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256072598 1106365213 /nfs/dbraw/zinc/36/52/13/1106365213.db2.gz RNFXWIUALVOJTD-QGZVFWFLSA-N 2 2 305.853 3.403 20 0 DGADLP Cc1ccccc1OC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073271 1106365345 /nfs/dbraw/zinc/36/53/45/1106365345.db2.gz QDKWTRZQHIJVKT-UHFFFAOYSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC([N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC1 ZINC001256213970 1106391704 /nfs/dbraw/zinc/39/17/04/1106391704.db2.gz DDAYKGDAKIVUBO-IBGZPJMESA-N 2 2 302.437 3.200 20 0 DGADLP C[NH+]1CCC([N@H+]2CCC[C@]3(CCc4c3cccc4F)C2)CC1 ZINC001256213970 1106391709 /nfs/dbraw/zinc/39/17/09/1106391709.db2.gz DDAYKGDAKIVUBO-IBGZPJMESA-N 2 2 302.437 3.200 20 0 DGADLP CC(C)CC[C@@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001256364140 1106410235 /nfs/dbraw/zinc/41/02/35/1106410235.db2.gz HIRHNCCNQOUBJG-MRXNPFEDSA-N 2 2 304.482 3.119 20 0 DGADLP CC(C)CC[C@@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001256364140 1106410239 /nfs/dbraw/zinc/41/02/39/1106410239.db2.gz HIRHNCCNQOUBJG-MRXNPFEDSA-N 2 2 304.482 3.119 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528089 1106434076 /nfs/dbraw/zinc/43/40/76/1106434076.db2.gz XLKVXHHLUARSDF-CRAIPNDOSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528089 1106434084 /nfs/dbraw/zinc/43/40/84/1106434084.db2.gz XLKVXHHLUARSDF-CRAIPNDOSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001256527293 1106434521 /nfs/dbraw/zinc/43/45/21/1106434521.db2.gz RGAYQGIEGHZXCI-TXPKVOOTSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001256527293 1106434526 /nfs/dbraw/zinc/43/45/26/1106434526.db2.gz RGAYQGIEGHZXCI-TXPKVOOTSA-N 2 2 310.445 3.180 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528840 1106434780 /nfs/dbraw/zinc/43/47/80/1106434780.db2.gz MHXYTGBIOGFWGB-QAPCUYQASA-N 2 2 302.462 3.387 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528840 1106434781 /nfs/dbraw/zinc/43/47/81/1106434781.db2.gz MHXYTGBIOGFWGB-QAPCUYQASA-N 2 2 302.462 3.387 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256551095 1106440674 /nfs/dbraw/zinc/44/06/74/1106440674.db2.gz PMYYFMTVHRIRQG-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256551095 1106440676 /nfs/dbraw/zinc/44/06/76/1106440676.db2.gz PMYYFMTVHRIRQG-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551095 1106440677 /nfs/dbraw/zinc/44/06/77/1106440677.db2.gz PMYYFMTVHRIRQG-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551095 1106440679 /nfs/dbraw/zinc/44/06/79/1106440679.db2.gz PMYYFMTVHRIRQG-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP Oc1cccc2c1CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256603973 1106452743 /nfs/dbraw/zinc/45/27/43/1106452743.db2.gz LAYDJXGLFGCURD-UHFFFAOYSA-N 2 2 322.452 3.415 20 0 DGADLP Oc1cccc2c1CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256603973 1106452749 /nfs/dbraw/zinc/45/27/49/1106452749.db2.gz LAYDJXGLFGCURD-UHFFFAOYSA-N 2 2 322.452 3.415 20 0 DGADLP OCC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604909 1106452832 /nfs/dbraw/zinc/45/28/32/1106452832.db2.gz ROWYHKOXJLBGQT-UHFFFAOYSA-N 2 2 324.468 3.146 20 0 DGADLP OCC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604909 1106452835 /nfs/dbraw/zinc/45/28/35/1106452835.db2.gz ROWYHKOXJLBGQT-UHFFFAOYSA-N 2 2 324.468 3.146 20 0 DGADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001256606549 1106452950 /nfs/dbraw/zinc/45/29/50/1106452950.db2.gz XPIXVUVRFXFXJR-UYAOXDASSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001256606549 1106452953 /nfs/dbraw/zinc/45/29/53/1106452953.db2.gz XPIXVUVRFXFXJR-UYAOXDASSA-N 2 2 314.473 3.152 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001256641089 1106460648 /nfs/dbraw/zinc/46/06/48/1106460648.db2.gz KGWZCKYKTMUUFA-MSOLQXFVSA-N 2 2 314.473 3.017 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001256641089 1106460651 /nfs/dbraw/zinc/46/06/51/1106460651.db2.gz KGWZCKYKTMUUFA-MSOLQXFVSA-N 2 2 314.473 3.017 20 0 DGADLP COc1cccc2c1CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001256653114 1106463468 /nfs/dbraw/zinc/46/34/68/1106463468.db2.gz AJTYKUZDHAYDSG-CVEARBPZSA-N 2 2 311.429 3.089 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256783117 1106481963 /nfs/dbraw/zinc/48/19/63/1106481963.db2.gz XUPLNSDBWLOECG-RBUKOAKNSA-N 2 2 302.462 3.228 20 0 DGADLP c1cn(C2CC[NH+]([C@@H]3CCO[C@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001256818771 1106490103 /nfs/dbraw/zinc/49/01/03/1106490103.db2.gz AROIAWNCOFITNJ-MOPGFXCFSA-N 2 2 311.429 3.440 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903741 1106507198 /nfs/dbraw/zinc/50/71/98/1106507198.db2.gz DRVLQPPXYJJFAV-GDBMZVCRSA-N 2 2 309.498 3.004 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903741 1106507202 /nfs/dbraw/zinc/50/72/02/1106507202.db2.gz DRVLQPPXYJJFAV-GDBMZVCRSA-N 2 2 309.498 3.004 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903742 1106507407 /nfs/dbraw/zinc/50/74/07/1106507407.db2.gz DRVLQPPXYJJFAV-GOEBONIOSA-N 2 2 309.498 3.004 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903742 1106507411 /nfs/dbraw/zinc/50/74/11/1106507411.db2.gz DRVLQPPXYJJFAV-GOEBONIOSA-N 2 2 309.498 3.004 20 0 DGADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257251755 1106555921 /nfs/dbraw/zinc/55/59/21/1106555921.db2.gz BCKVNLFPMOHWDP-FHWLQOOXSA-N 2 2 304.478 3.444 20 0 DGADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257251755 1106555922 /nfs/dbraw/zinc/55/59/22/1106555922.db2.gz BCKVNLFPMOHWDP-FHWLQOOXSA-N 2 2 304.478 3.444 20 0 DGADLP CCCCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509767 1106599331 /nfs/dbraw/zinc/59/93/31/1106599331.db2.gz JZFKRKWBZIBCGJ-QRQLOZEOSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509767 1106599334 /nfs/dbraw/zinc/59/93/34/1106599334.db2.gz JZFKRKWBZIBCGJ-QRQLOZEOSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509767 1106599337 /nfs/dbraw/zinc/59/93/37/1106599337.db2.gz JZFKRKWBZIBCGJ-QRQLOZEOSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509767 1106599341 /nfs/dbraw/zinc/59/93/41/1106599341.db2.gz JZFKRKWBZIBCGJ-QRQLOZEOSA-N 2 2 318.509 3.143 20 0 DGADLP CC(C)OC1CCC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001257877495 1106638694 /nfs/dbraw/zinc/63/86/94/1106638694.db2.gz KFVXNVJUUDBYDH-XBMUEBEBSA-N 2 2 302.462 3.108 20 0 DGADLP CC(C)OC1CCC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001257877495 1106638698 /nfs/dbraw/zinc/63/86/98/1106638698.db2.gz KFVXNVJUUDBYDH-XBMUEBEBSA-N 2 2 302.462 3.108 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257964852 1106652151 /nfs/dbraw/zinc/65/21/51/1106652151.db2.gz SJBXDNWYKWKROB-INIZCTEOSA-N 2 2 308.853 3.061 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257964852 1106652153 /nfs/dbraw/zinc/65/21/53/1106652153.db2.gz SJBXDNWYKWKROB-INIZCTEOSA-N 2 2 308.853 3.061 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](c2cccnc2F)C2CC2)CC1 ZINC001258007680 1106656796 /nfs/dbraw/zinc/65/67/96/1106656796.db2.gz MSZRYPBKZJITCF-KRWDZBQOSA-N 2 2 305.441 3.382 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2COc3cc(Cl)ccc32)CC1 ZINC001258007748 1106657383 /nfs/dbraw/zinc/65/73/83/1106657383.db2.gz QUEDYKRZDUJJDF-MRXNPFEDSA-N 2 2 308.853 3.484 20 0 DGADLP COc1ccc2c(c1)C[N@H+](C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258011290 1106658206 /nfs/dbraw/zinc/65/82/06/1106658206.db2.gz JJHRPNDWOIXCMY-UHFFFAOYSA-N 2 2 302.462 3.174 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258011290 1106658207 /nfs/dbraw/zinc/65/82/07/1106658207.db2.gz JJHRPNDWOIXCMY-UHFFFAOYSA-N 2 2 302.462 3.174 20 0 DGADLP CCOC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001258026369 1106660881 /nfs/dbraw/zinc/66/08/81/1106660881.db2.gz LQGZDGUIBOLSCB-OFLPRAFFSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001258026369 1106660883 /nfs/dbraw/zinc/66/08/83/1106660883.db2.gz LQGZDGUIBOLSCB-OFLPRAFFSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)CC1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001258034188 1106662211 /nfs/dbraw/zinc/66/22/11/1106662211.db2.gz RDCLROFFVKNHNS-HWOWSKLDSA-N 2 2 319.449 3.035 20 0 DGADLP CCOC(=O)CCC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258115099 1106676041 /nfs/dbraw/zinc/67/60/41/1106676041.db2.gz DSXOEACDCYTITH-AWEZNQCLSA-N 2 2 315.417 3.303 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)C2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC001258168161 1106685441 /nfs/dbraw/zinc/68/54/41/1106685441.db2.gz CZSKVJPSPGMTLP-GJZGRUSLSA-N 2 2 317.477 3.473 20 0 DGADLP C[C@@H](Cc1ccco1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258198029 1106694709 /nfs/dbraw/zinc/69/47/09/1106694709.db2.gz UZFCHQCMZUROKL-ZDUSSCGKSA-N 2 2 303.381 3.003 20 0 DGADLP CSCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258205237 1106695648 /nfs/dbraw/zinc/69/56/48/1106695648.db2.gz HKFUFRKHLNOIHX-ZWNOBZJWSA-N 2 2 317.296 3.180 20 0 DGADLP CC1(C)CCC[C@@H]([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001258284815 1106709681 /nfs/dbraw/zinc/70/96/81/1106709681.db2.gz IEWQWKKWZYYHAF-CQSZACIVSA-N 2 2 314.433 3.246 20 0 DGADLP CC1(C)CCC[C@@H]([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001258284815 1106709685 /nfs/dbraw/zinc/70/96/85/1106709685.db2.gz IEWQWKKWZYYHAF-CQSZACIVSA-N 2 2 314.433 3.246 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001258405306 1106731956 /nfs/dbraw/zinc/73/19/56/1106731956.db2.gz CZBYWDHGDMKXQR-IEZWGBDMSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001258405306 1106731959 /nfs/dbraw/zinc/73/19/59/1106731959.db2.gz CZBYWDHGDMKXQR-IEZWGBDMSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001258405306 1106731964 /nfs/dbraw/zinc/73/19/64/1106731964.db2.gz CZBYWDHGDMKXQR-IEZWGBDMSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001258405306 1106731969 /nfs/dbraw/zinc/73/19/69/1106731969.db2.gz CZBYWDHGDMKXQR-IEZWGBDMSA-N 2 2 302.462 3.042 20 0 DGADLP C[C@@H](CC1CC1)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001258467447 1106764878 /nfs/dbraw/zinc/76/48/78/1106764878.db2.gz ZCECNEHXLFLGEG-INIZCTEOSA-N 2 2 316.493 3.039 20 0 DGADLP C[C@@H](CC1CC1)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001258467447 1106764888 /nfs/dbraw/zinc/76/48/88/1106764888.db2.gz ZCECNEHXLFLGEG-INIZCTEOSA-N 2 2 316.493 3.039 20 0 DGADLP c1cn(C2CCN(c3ccccc3)CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001258514570 1106791903 /nfs/dbraw/zinc/79/19/03/1106791903.db2.gz MHRXCWAXSZSRCU-INIZCTEOSA-N 2 2 310.445 3.192 20 0 DGADLP CC[NH+](CC)CC[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258534757 1106806772 /nfs/dbraw/zinc/80/67/72/1106806772.db2.gz RNJFAKYFEVNEIX-UHFFFAOYSA-N 2 2 309.885 3.240 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCc1[nH+]ccn1C ZINC001258678289 1106900645 /nfs/dbraw/zinc/90/06/45/1106900645.db2.gz MHHUBRDBINWUHY-LLVKDONJSA-N 2 2 312.244 3.490 20 0 DGADLP COCC[N@H+]([C@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258749570 1106949495 /nfs/dbraw/zinc/94/94/95/1106949495.db2.gz KYSACOIQCNPOKP-OAHLLOKOSA-N 2 2 324.896 3.314 20 0 DGADLP COCC[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258749570 1106949502 /nfs/dbraw/zinc/94/95/02/1106949502.db2.gz KYSACOIQCNPOKP-OAHLLOKOSA-N 2 2 324.896 3.314 20 0 DGADLP CCCc1noc(C2CC[NH+](C3CC[NH+](CCC)CC3)CC2)n1 ZINC001258775768 1106968257 /nfs/dbraw/zinc/96/82/57/1106968257.db2.gz DAWUCVIIUZFXME-UHFFFAOYSA-N 2 2 320.481 3.076 20 0 DGADLP C[C@H]1CCC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824163 1107007369 /nfs/dbraw/zinc/00/73/69/1107007369.db2.gz PRTBKHWFYGORKQ-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824163 1107007382 /nfs/dbraw/zinc/00/73/82/1107007382.db2.gz PRTBKHWFYGORKQ-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H]1CCC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824163 1107007397 /nfs/dbraw/zinc/00/73/97/1107007397.db2.gz PRTBKHWFYGORKQ-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H]1CCC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824163 1107007412 /nfs/dbraw/zinc/00/74/12/1107007412.db2.gz PRTBKHWFYGORKQ-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H](Cc1ccccc1)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258849946 1107024375 /nfs/dbraw/zinc/02/43/75/1107024375.db2.gz XOTHVIWUIQZCTF-LJQANCHMSA-N 2 2 324.472 3.237 20 0 DGADLP COc1ccccc1C[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001258880216 1107034115 /nfs/dbraw/zinc/03/41/15/1107034115.db2.gz AEFHURIBIFURKE-ZDUSSCGKSA-N 2 2 319.474 3.196 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258884319 1107035112 /nfs/dbraw/zinc/03/51/12/1107035112.db2.gz NJZZEYMTOYWOPV-QAPCUYQASA-N 2 2 302.462 3.090 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258884319 1107035127 /nfs/dbraw/zinc/03/51/27/1107035127.db2.gz NJZZEYMTOYWOPV-QAPCUYQASA-N 2 2 302.462 3.090 20 0 DGADLP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001317189557 1107109809 /nfs/dbraw/zinc/10/98/09/1107109809.db2.gz VTGXSBQJFHGDFK-KRWDZBQOSA-N 2 2 317.477 3.391 20 0 DGADLP CCc1cc(N2CCC[N@H+](Cc3ccc(C)cc3)CC2)nc(C)[nH+]1 ZINC001320842581 1107159710 /nfs/dbraw/zinc/15/97/10/1107159710.db2.gz LQUWCRDVGTUFEC-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP CCc1cc(N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)nc(C)[nH+]1 ZINC001320842581 1107159717 /nfs/dbraw/zinc/15/97/17/1107159717.db2.gz LQUWCRDVGTUFEC-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(F)c(F)c1 ZINC001321818945 1107440993 /nfs/dbraw/zinc/44/09/93/1107440993.db2.gz MROQWDUKSNZQPY-UHFFFAOYSA-N 2 2 314.295 3.106 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)n1 ZINC001262013429 1107573875 /nfs/dbraw/zinc/57/38/75/1107573875.db2.gz BZAPSQGMBXDJAI-KRWDZBQOSA-N 2 2 312.461 3.195 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)n1 ZINC001262013429 1107573883 /nfs/dbraw/zinc/57/38/83/1107573883.db2.gz BZAPSQGMBXDJAI-KRWDZBQOSA-N 2 2 312.461 3.195 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)n1 ZINC001262013430 1107574705 /nfs/dbraw/zinc/57/47/05/1107574705.db2.gz BZAPSQGMBXDJAI-QGZVFWFLSA-N 2 2 312.461 3.195 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)n1 ZINC001262013430 1107574714 /nfs/dbraw/zinc/57/47/14/1107574714.db2.gz BZAPSQGMBXDJAI-QGZVFWFLSA-N 2 2 312.461 3.195 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCCCC[NH2+]3)cc2)[nH+]c1C ZINC001262045228 1107592365 /nfs/dbraw/zinc/59/23/65/1107592365.db2.gz JUJGIHBXAUXCHX-MRXNPFEDSA-N 2 2 312.417 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCOC(C)(C)C ZINC001322447235 1107676213 /nfs/dbraw/zinc/67/62/13/1107676213.db2.gz UWQFXBQCQHWEFX-UHFFFAOYSA-N 2 2 316.405 3.110 20 0 DGADLP Cc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)nc(C2CCC2)[nH+]1 ZINC001262363433 1107694624 /nfs/dbraw/zinc/69/46/24/1107694624.db2.gz SCRSVXPRYQGXAS-CQSZACIVSA-N 2 2 302.466 3.219 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)ccc1C ZINC001322848409 1107767749 /nfs/dbraw/zinc/76/77/49/1107767749.db2.gz XYNRMDKDJMTYDM-UHFFFAOYSA-N 2 2 306.369 3.445 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000378966574 1108006622 /nfs/dbraw/zinc/00/66/22/1108006622.db2.gz VDPOUXBDEIVFQW-SJORKVTESA-N 2 2 304.478 3.480 20 0 DGADLP CCc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001318541778 1108088349 /nfs/dbraw/zinc/08/83/49/1108088349.db2.gz PBTFYJHBVBAQAX-UHFFFAOYSA-N 2 2 306.369 3.390 20 0 DGADLP CNc1ncccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382857883 1108166179 /nfs/dbraw/zinc/16/61/79/1108166179.db2.gz UZPDKFMCLZEWKQ-GOSISDBHSA-N 2 2 324.472 3.077 20 0 DGADLP CNc1ncccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382857883 1108166183 /nfs/dbraw/zinc/16/61/83/1108166183.db2.gz UZPDKFMCLZEWKQ-GOSISDBHSA-N 2 2 324.472 3.077 20 0 DGADLP CNc1ncccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382857883 1108166187 /nfs/dbraw/zinc/16/61/87/1108166187.db2.gz UZPDKFMCLZEWKQ-GOSISDBHSA-N 2 2 324.472 3.077 20 0 DGADLP CNc1ncccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382857883 1108166191 /nfs/dbraw/zinc/16/61/91/1108166191.db2.gz UZPDKFMCLZEWKQ-GOSISDBHSA-N 2 2 324.472 3.077 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842777 1108482906 /nfs/dbraw/zinc/48/29/06/1108482906.db2.gz JFUXOPNPKKUHHZ-DNVCBOLYSA-N 2 2 316.489 3.479 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842777 1108482911 /nfs/dbraw/zinc/48/29/11/1108482911.db2.gz JFUXOPNPKKUHHZ-DNVCBOLYSA-N 2 2 316.489 3.479 20 0 DGADLP CC(C)Oc1ccc[nH+]c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001325014589 1108556861 /nfs/dbraw/zinc/55/68/61/1108556861.db2.gz WUQKHYBCQBNDAW-UHFFFAOYSA-N 2 2 312.417 3.345 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815458 1108648002 /nfs/dbraw/zinc/64/80/02/1108648002.db2.gz VDCKVKGEGWUOPE-ZIAGYGMSSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815458 1108648005 /nfs/dbraw/zinc/64/80/05/1108648005.db2.gz VDCKVKGEGWUOPE-ZIAGYGMSSA-N 2 2 316.474 3.302 20 0 DGADLP COC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000390576247 1108675237 /nfs/dbraw/zinc/67/52/37/1108675237.db2.gz WDFKMPITMYAHJF-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP COC1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390576247 1108675240 /nfs/dbraw/zinc/67/52/40/1108675240.db2.gz WDFKMPITMYAHJF-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001618931632 1193754391 /nfs/dbraw/zinc/75/43/91/1193754391.db2.gz LVUMBCVMHYUBEM-IRXDYDNUSA-N 2 2 310.869 3.180 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001618931632 1193754393 /nfs/dbraw/zinc/75/43/93/1193754393.db2.gz LVUMBCVMHYUBEM-IRXDYDNUSA-N 2 2 310.869 3.180 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463206 1111302257 /nfs/dbraw/zinc/30/22/57/1111302257.db2.gz KREWZBLUDFZLGY-QGZVFWFLSA-N 2 2 324.896 3.397 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463206 1111302260 /nfs/dbraw/zinc/30/22/60/1111302260.db2.gz KREWZBLUDFZLGY-QGZVFWFLSA-N 2 2 324.896 3.397 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463206 1111302264 /nfs/dbraw/zinc/30/22/64/1111302264.db2.gz KREWZBLUDFZLGY-QGZVFWFLSA-N 2 2 324.896 3.397 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463206 1111302268 /nfs/dbraw/zinc/30/22/68/1111302268.db2.gz KREWZBLUDFZLGY-QGZVFWFLSA-N 2 2 324.896 3.397 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)ccn1 ZINC001308057255 1111372127 /nfs/dbraw/zinc/37/21/27/1111372127.db2.gz WLZOUVNODJMHRF-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)ccn1 ZINC001308057255 1111372131 /nfs/dbraw/zinc/37/21/31/1111372131.db2.gz WLZOUVNODJMHRF-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)ccn1 ZINC001308057255 1111372136 /nfs/dbraw/zinc/37/21/36/1111372136.db2.gz WLZOUVNODJMHRF-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)ccn1 ZINC001308057255 1111372141 /nfs/dbraw/zinc/37/21/41/1111372141.db2.gz WLZOUVNODJMHRF-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001308089773 1111376616 /nfs/dbraw/zinc/37/66/16/1111376616.db2.gz OCRQURXQIHDQFI-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001308089773 1111376618 /nfs/dbraw/zinc/37/66/18/1111376618.db2.gz OCRQURXQIHDQFI-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001308163628 1111388240 /nfs/dbraw/zinc/38/82/40/1111388240.db2.gz LMDBIZSNEZOITJ-AWEZNQCLSA-N 2 2 318.490 3.377 20 0 DGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001308163628 1111388244 /nfs/dbraw/zinc/38/82/44/1111388244.db2.gz LMDBIZSNEZOITJ-AWEZNQCLSA-N 2 2 318.490 3.377 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001308166411 1111388763 /nfs/dbraw/zinc/38/87/63/1111388763.db2.gz WXFUENYVEXCEDB-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001308166411 1111388767 /nfs/dbraw/zinc/38/87/67/1111388767.db2.gz WXFUENYVEXCEDB-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCCC23CCOCC3)CC1 ZINC001308169161 1111389204 /nfs/dbraw/zinc/38/92/04/1111389204.db2.gz ZROBSXFCSXKQIJ-QGZVFWFLSA-N 2 2 317.477 3.196 20 0 DGADLP FC(F)(F)COc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC001308183475 1111392242 /nfs/dbraw/zinc/39/22/42/1111392242.db2.gz VSXGYKJPJZYGLL-UHFFFAOYSA-N 2 2 313.323 3.004 20 0 DGADLP CC[C@H](C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001308189122 1111392492 /nfs/dbraw/zinc/39/24/92/1111392492.db2.gz SFMUOYZRDCGFIY-KZNAEPCWSA-N 2 2 304.478 3.269 20 0 DGADLP Cc1cccn2c(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)cnc12 ZINC001308187191 1111392811 /nfs/dbraw/zinc/39/28/11/1111392811.db2.gz XAIDHZRFVOLUFQ-UHFFFAOYSA-N 2 2 322.456 3.254 20 0 DGADLP Cc1cccn2c(C[NH2+]CCC[N@H+](C)Cc3ccccc3)cnc12 ZINC001308187191 1111392814 /nfs/dbraw/zinc/39/28/14/1111392814.db2.gz XAIDHZRFVOLUFQ-UHFFFAOYSA-N 2 2 322.456 3.254 20 0 DGADLP C[C@H](CC[NH2+]Cc1nc2c(s1)CCCC2)[NH+]1CCCCC1 ZINC001308367850 1111422492 /nfs/dbraw/zinc/42/24/92/1111422492.db2.gz YQCPFSFTSNTCSF-CQSZACIVSA-N 2 2 307.507 3.376 20 0 DGADLP Cc1cc(F)ncc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308502268 1111435401 /nfs/dbraw/zinc/43/54/01/1111435401.db2.gz YNKOEATUTHAPFU-KRWDZBQOSA-N 2 2 310.376 3.257 20 0 DGADLP CCC[N@@H+](C)[C@H](CN[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759429 1111471788 /nfs/dbraw/zinc/47/17/88/1111471788.db2.gz DCJUECRQWMXVIZ-QZTJIDSGSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[N@H+](C)[C@H](CN[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759429 1111471785 /nfs/dbraw/zinc/47/17/85/1111471785.db2.gz DCJUECRQWMXVIZ-QZTJIDSGSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@H](CN[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759429 1111471792 /nfs/dbraw/zinc/47/17/92/1111471792.db2.gz DCJUECRQWMXVIZ-QZTJIDSGSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@H](CN[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759429 1111471795 /nfs/dbraw/zinc/47/17/95/1111471795.db2.gz DCJUECRQWMXVIZ-QZTJIDSGSA-N 2 2 323.912 3.407 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC001308942142 1111497320 /nfs/dbraw/zinc/49/73/20/1111497320.db2.gz FYUPKMCXMRVXRQ-INIZCTEOSA-N 2 2 314.473 3.460 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001308966781 1111501522 /nfs/dbraw/zinc/50/15/22/1111501522.db2.gz AGDZKHARHURAHX-CJNGLKHVSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001308966781 1111501525 /nfs/dbraw/zinc/50/15/25/1111501525.db2.gz AGDZKHARHURAHX-CJNGLKHVSA-N 2 2 323.868 3.131 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CCSC1)c1cccc(OC)c1 ZINC000278282902 214066110 /nfs/dbraw/zinc/06/61/10/214066110.db2.gz BFBOSKGYFXWFEJ-CRAIPNDOSA-N 2 2 322.518 3.421 20 0 DGADLP Cc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)nc(C2CC2)[nH+]1 ZINC000278437419 214152426 /nfs/dbraw/zinc/15/24/26/214152426.db2.gz KALGCPJMGNLSQP-UHFFFAOYSA-N 2 2 324.428 3.414 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)CC(=O)NC)[NH2+][C@@H](C)c1ccccc1 ZINC000269043258 282120900 /nfs/dbraw/zinc/12/09/00/282120900.db2.gz WBCJQBVCGKXNRU-HOTGVXAUSA-N 2 2 319.493 3.010 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC000278512415 214203907 /nfs/dbraw/zinc/20/39/07/214203907.db2.gz BLFYZUQDBHPLET-UFYCRDLUSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC000278512415 214203910 /nfs/dbraw/zinc/20/39/10/214203910.db2.gz BLFYZUQDBHPLET-UFYCRDLUSA-N 2 2 314.473 3.009 20 0 DGADLP CN(c1ccc([NH2+]C[C@@H]2CCSC2)cc1)C1CC[NH+](C)CC1 ZINC000278541697 214223323 /nfs/dbraw/zinc/22/33/23/214223323.db2.gz TYSCSPJZPXEDEA-HNNXBMFYSA-N 2 2 319.518 3.382 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000278657081 214305499 /nfs/dbraw/zinc/30/54/99/214305499.db2.gz KEFRRQLOEJWCCA-UHFFFAOYSA-N 2 2 317.820 3.482 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000309672321 231102553 /nfs/dbraw/zinc/10/25/53/231102553.db2.gz UIDHFKMWNXGNKI-FRQCXROJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000309672321 231102557 /nfs/dbraw/zinc/10/25/57/231102557.db2.gz UIDHFKMWNXGNKI-FRQCXROJSA-N 2 2 302.462 3.054 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2sccc2Br)CCCCC1 ZINC000087575989 185228648 /nfs/dbraw/zinc/22/86/48/185228648.db2.gz GQNVJMOHJQMROO-UHFFFAOYSA-N 2 2 303.269 3.262 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415043236 529611822 /nfs/dbraw/zinc/61/18/22/529611822.db2.gz AOUBADGEDSZGAL-FQEVSTJZSA-N 2 2 320.440 3.224 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000415065553 529617046 /nfs/dbraw/zinc/61/70/46/529617046.db2.gz NAPHYGXKTKMOSK-DNVCBOLYSA-N 2 2 314.477 3.247 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000152996790 529656511 /nfs/dbraw/zinc/65/65/11/529656511.db2.gz SXLHCLGWZMAYPB-OTWHNJEPSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000152996790 529656512 /nfs/dbraw/zinc/65/65/12/529656512.db2.gz SXLHCLGWZMAYPB-OTWHNJEPSA-N 2 2 302.462 3.056 20 0 DGADLP CCCn1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc2ccccc21 ZINC000092648540 185331468 /nfs/dbraw/zinc/33/14/68/185331468.db2.gz RZUDVVAJAAZBQZ-UHFFFAOYSA-N 2 2 323.444 3.480 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428321745 529725268 /nfs/dbraw/zinc/72/52/68/529725268.db2.gz FRCDUXGCRMIDGL-ZFWWWQNUSA-N 2 2 305.466 3.288 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428321745 529725270 /nfs/dbraw/zinc/72/52/70/529725270.db2.gz FRCDUXGCRMIDGL-ZFWWWQNUSA-N 2 2 305.466 3.288 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@@H]2CCCO[C@@H]21 ZINC000181568777 199319362 /nfs/dbraw/zinc/31/93/62/199319362.db2.gz GQERNUMODHIOHB-JQHSSLGASA-N 2 2 311.429 3.166 20 0 DGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000306343301 529942178 /nfs/dbraw/zinc/94/21/78/529942178.db2.gz LJUUCCPKHCOQCP-OAQYLSRUSA-N 2 2 324.468 3.144 20 0 DGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000306343301 529942179 /nfs/dbraw/zinc/94/21/79/529942179.db2.gz LJUUCCPKHCOQCP-OAQYLSRUSA-N 2 2 324.468 3.144 20 0 DGADLP C[N@@H+](Cc1nc2ccc(F)cc2s1)C[C@@H]1CCC[NH+](C)C1 ZINC000432738455 530023029 /nfs/dbraw/zinc/02/30/29/530023029.db2.gz RGSQJRAGIPSUJV-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP C[N@H+](Cc1nc2ccc(F)cc2s1)C[C@@H]1CCC[NH+](C)C1 ZINC000432738455 530023030 /nfs/dbraw/zinc/02/30/30/530023030.db2.gz RGSQJRAGIPSUJV-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000432738455 530023031 /nfs/dbraw/zinc/02/30/31/530023031.db2.gz RGSQJRAGIPSUJV-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000432738455 530023033 /nfs/dbraw/zinc/02/30/33/530023033.db2.gz RGSQJRAGIPSUJV-GFCCVEGCSA-N 2 2 307.438 3.209 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000430359111 530057065 /nfs/dbraw/zinc/05/70/65/530057065.db2.gz PKLYKQABDCPSCT-HXUWFJFHSA-N 2 2 324.472 3.006 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000430359111 530057066 /nfs/dbraw/zinc/05/70/66/530057066.db2.gz PKLYKQABDCPSCT-HXUWFJFHSA-N 2 2 324.472 3.006 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430359111 530057067 /nfs/dbraw/zinc/05/70/67/530057067.db2.gz PKLYKQABDCPSCT-HXUWFJFHSA-N 2 2 324.472 3.006 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430359111 530057068 /nfs/dbraw/zinc/05/70/68/530057068.db2.gz PKLYKQABDCPSCT-HXUWFJFHSA-N 2 2 324.472 3.006 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785413 530058872 /nfs/dbraw/zinc/05/88/72/530058872.db2.gz JDMZIDAVEPFVCU-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785413 530058873 /nfs/dbraw/zinc/05/88/73/530058873.db2.gz JDMZIDAVEPFVCU-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785413 530058874 /nfs/dbraw/zinc/05/88/74/530058874.db2.gz JDMZIDAVEPFVCU-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785413 530058875 /nfs/dbraw/zinc/05/88/75/530058875.db2.gz JDMZIDAVEPFVCU-AEFFLSMTSA-N 2 2 318.436 3.205 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000228659934 201821111 /nfs/dbraw/zinc/82/11/11/201821111.db2.gz JAMQBQWZPRZZOO-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1Cl ZINC000228659934 201821114 /nfs/dbraw/zinc/82/11/14/201821114.db2.gz JAMQBQWZPRZZOO-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP CC[N@H+]1CC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@H](C)C1 ZINC000130014703 432012780 /nfs/dbraw/zinc/01/27/80/432012780.db2.gz QZEDGFILOMVOFQ-WBVHZDCISA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@@H+]1CC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@H](C)C1 ZINC000130014703 432012778 /nfs/dbraw/zinc/01/27/78/432012778.db2.gz QZEDGFILOMVOFQ-WBVHZDCISA-N 2 2 302.466 3.214 20 0 DGADLP Fc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272678043 210084683 /nfs/dbraw/zinc/08/46/83/210084683.db2.gz MRYGNACOXFYLSV-UHFFFAOYSA-N 2 2 318.358 3.375 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666187 210072556 /nfs/dbraw/zinc/07/25/56/210072556.db2.gz SEMXENHGYSWRPS-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666187 210072560 /nfs/dbraw/zinc/07/25/60/210072560.db2.gz SEMXENHGYSWRPS-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666187 210072563 /nfs/dbraw/zinc/07/25/63/210072563.db2.gz SEMXENHGYSWRPS-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666187 210072567 /nfs/dbraw/zinc/07/25/67/210072567.db2.gz SEMXENHGYSWRPS-PXNSSMCTSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CCO1 ZINC000066561683 432017388 /nfs/dbraw/zinc/01/73/88/432017388.db2.gz GNMAJPFITFBCDQ-OXJNMPFZSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CCO1 ZINC000066561683 432017389 /nfs/dbraw/zinc/01/73/89/432017389.db2.gz GNMAJPFITFBCDQ-OXJNMPFZSA-N 2 2 314.473 3.249 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3[C@@H](C)CCC[C@@H]3C)c2cc1C ZINC000066531792 432017438 /nfs/dbraw/zinc/01/74/38/432017438.db2.gz FIKJLPSVCBEANJ-ULQDDVLXSA-N 2 2 315.461 3.277 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000423387191 290804884 /nfs/dbraw/zinc/80/48/84/290804884.db2.gz JRVOZGYXTUBOFX-XHDPSFHLSA-N 2 2 311.267 3.414 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nccn2-c2ccccc2)CC1 ZINC000286894331 219214370 /nfs/dbraw/zinc/21/43/70/219214370.db2.gz DFRPCQXGNPQWFH-INIZCTEOSA-N 2 2 312.461 3.396 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000286898038 219215694 /nfs/dbraw/zinc/21/56/94/219215694.db2.gz DITKDRFFLUDHDW-LZLYRXPVSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nccn1-c1ccccc1 ZINC000286898038 219215697 /nfs/dbraw/zinc/21/56/97/219215697.db2.gz DITKDRFFLUDHDW-LZLYRXPVSA-N 2 2 310.445 3.150 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000272637732 210040086 /nfs/dbraw/zinc/04/00/86/210040086.db2.gz NYWCWYAATNDRLV-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000272637732 210040089 /nfs/dbraw/zinc/04/00/89/210040089.db2.gz NYWCWYAATNDRLV-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OCC ZINC000272637732 210040094 /nfs/dbraw/zinc/04/00/94/210040094.db2.gz NYWCWYAATNDRLV-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OCC ZINC000272637732 210040098 /nfs/dbraw/zinc/04/00/98/210040098.db2.gz NYWCWYAATNDRLV-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000423387189 290828166 /nfs/dbraw/zinc/82/81/66/290828166.db2.gz JRVOZGYXTUBOFX-IAQYHMDHSA-N 2 2 311.267 3.414 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2cccs2)n1 ZINC000130361299 432021801 /nfs/dbraw/zinc/02/18/01/432021801.db2.gz BKBVJUPVKNMJMM-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2cccs2)n1 ZINC000130361299 432021804 /nfs/dbraw/zinc/02/18/04/432021804.db2.gz BKBVJUPVKNMJMM-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000279909871 215228971 /nfs/dbraw/zinc/22/89/71/215228971.db2.gz LWCYLCXVXMRNQR-KFWWJZLASA-N 2 2 317.433 3.071 20 0 DGADLP Cc1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c(C)[nH+]1 ZINC000152431735 186071661 /nfs/dbraw/zinc/07/16/61/186071661.db2.gz YWKABOLAYHVGFM-UHFFFAOYSA-N 2 2 306.454 3.329 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)c1nc2ccccc2s1 ZINC000155693553 186103914 /nfs/dbraw/zinc/10/39/14/186103914.db2.gz YYDBUOJUNCNBRM-CHWSQXEVSA-N 2 2 300.431 3.275 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000155861572 186118947 /nfs/dbraw/zinc/11/89/47/186118947.db2.gz DYQZOGCBXCOKMO-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@H+]1C ZINC000155861572 186118949 /nfs/dbraw/zinc/11/89/49/186118949.db2.gz DYQZOGCBXCOKMO-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1OC ZINC000163849708 186140524 /nfs/dbraw/zinc/14/05/24/186140524.db2.gz BNKMHEZVSKRCAY-AWEZNQCLSA-N 2 2 315.417 3.252 20 0 DGADLP CSc1ccc(OCC[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000173309807 186175161 /nfs/dbraw/zinc/17/51/61/186175161.db2.gz OTCFLXGGFMRJKJ-UHFFFAOYSA-N 2 2 308.491 3.250 20 0 DGADLP Cc1cncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000189953630 186254415 /nfs/dbraw/zinc/25/44/15/186254415.db2.gz FXLGAVQXWINGID-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000189953630 186254417 /nfs/dbraw/zinc/25/44/17/186254417.db2.gz FXLGAVQXWINGID-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000268743242 186374729 /nfs/dbraw/zinc/37/47/29/186374729.db2.gz GTGLQBXILRKZHR-ZNZDAUKMSA-N 2 2 300.446 3.219 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000268743242 186374731 /nfs/dbraw/zinc/37/47/31/186374731.db2.gz GTGLQBXILRKZHR-ZNZDAUKMSA-N 2 2 300.446 3.219 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000269581073 186390674 /nfs/dbraw/zinc/39/06/74/186390674.db2.gz PXTAJVQQVOFQCT-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000269581073 186390676 /nfs/dbraw/zinc/39/06/76/186390676.db2.gz PXTAJVQQVOFQCT-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP c1ccc2sc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000172645585 198130403 /nfs/dbraw/zinc/13/04/03/198130403.db2.gz RYEWLJGDGJWQLV-AWEZNQCLSA-N 2 2 301.459 3.214 20 0 DGADLP c1ccc2sc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000172645585 198130405 /nfs/dbraw/zinc/13/04/05/198130405.db2.gz RYEWLJGDGJWQLV-AWEZNQCLSA-N 2 2 301.459 3.214 20 0 DGADLP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331799172 234136515 /nfs/dbraw/zinc/13/65/15/234136515.db2.gz LMKWLYVCDWJOLW-VXGBXAGGSA-N 2 2 303.410 3.031 20 0 DGADLP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331799172 234136519 /nfs/dbraw/zinc/13/65/19/234136519.db2.gz LMKWLYVCDWJOLW-VXGBXAGGSA-N 2 2 303.410 3.031 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725169 191222666 /nfs/dbraw/zinc/22/26/66/191222666.db2.gz FCQBDDYHCCNDDI-GOSISDBHSA-N 3 2 312.461 3.179 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725169 191222669 /nfs/dbraw/zinc/22/26/69/191222669.db2.gz FCQBDDYHCCNDDI-GOSISDBHSA-N 3 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725169 191222671 /nfs/dbraw/zinc/22/26/71/191222671.db2.gz FCQBDDYHCCNDDI-GOSISDBHSA-N 3 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725169 191222674 /nfs/dbraw/zinc/22/26/74/191222674.db2.gz FCQBDDYHCCNDDI-GOSISDBHSA-N 3 2 312.461 3.179 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000174514063 198345042 /nfs/dbraw/zinc/34/50/42/198345042.db2.gz VFPRMDVAEMGNAF-TZMCWYRMSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@H+]1C ZINC000174514063 198345043 /nfs/dbraw/zinc/34/50/43/198345043.db2.gz VFPRMDVAEMGNAF-TZMCWYRMSA-N 2 2 316.367 3.200 20 0 DGADLP COc1cccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131800772 432037786 /nfs/dbraw/zinc/03/77/86/432037786.db2.gz KLXZGSGIOSGDPZ-IBGZPJMESA-N 2 2 312.413 3.176 20 0 DGADLP COc1cccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131800772 432037791 /nfs/dbraw/zinc/03/77/91/432037791.db2.gz KLXZGSGIOSGDPZ-IBGZPJMESA-N 2 2 312.413 3.176 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000107775321 432040220 /nfs/dbraw/zinc/04/02/20/432040220.db2.gz XWZMXDHMTHYUFG-NWDGAFQWSA-N 2 2 316.417 3.452 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000107775321 432040224 /nfs/dbraw/zinc/04/02/24/432040224.db2.gz XWZMXDHMTHYUFG-NWDGAFQWSA-N 2 2 316.417 3.452 20 0 DGADLP CC(C)Oc1cc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)ccn1 ZINC000131643271 432042714 /nfs/dbraw/zinc/04/27/14/432042714.db2.gz HTFHIOYVCNFUKT-KRWDZBQOSA-N 2 2 317.477 3.318 20 0 DGADLP CC(C)Oc1cc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)ccn1 ZINC000131643271 432042718 /nfs/dbraw/zinc/04/27/18/432042718.db2.gz HTFHIOYVCNFUKT-KRWDZBQOSA-N 2 2 317.477 3.318 20 0 DGADLP CC(C)Oc1cc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)ccn1 ZINC000131643271 432042723 /nfs/dbraw/zinc/04/27/23/432042723.db2.gz HTFHIOYVCNFUKT-KRWDZBQOSA-N 2 2 317.477 3.318 20 0 DGADLP CC(C)Oc1cc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)ccn1 ZINC000131643271 432042726 /nfs/dbraw/zinc/04/27/26/432042726.db2.gz HTFHIOYVCNFUKT-KRWDZBQOSA-N 2 2 317.477 3.318 20 0 DGADLP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000179416983 432057397 /nfs/dbraw/zinc/05/73/97/432057397.db2.gz RIFDKUQHUKPSIV-WORNYLJVSA-N 2 2 314.473 3.134 20 0 DGADLP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000179416983 432057399 /nfs/dbraw/zinc/05/73/99/432057399.db2.gz RIFDKUQHUKPSIV-WORNYLJVSA-N 2 2 314.473 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000166371546 432059583 /nfs/dbraw/zinc/05/95/83/432059583.db2.gz LQFXQAKFGBGNHE-RVKKMQEKSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000166371546 432059586 /nfs/dbraw/zinc/05/95/86/432059586.db2.gz LQFXQAKFGBGNHE-RVKKMQEKSA-N 3 2 312.461 3.314 20 0 DGADLP CCC[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000236963230 202096867 /nfs/dbraw/zinc/09/68/67/202096867.db2.gz PFFQPSDVHGTPGD-INIZCTEOSA-N 2 2 322.412 3.376 20 0 DGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000166900703 432063210 /nfs/dbraw/zinc/06/32/10/432063210.db2.gz LHDFXOGVQDSQOK-ZUZCIYMTSA-N 2 2 300.406 3.142 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CCC[NH2+]C1 ZINC000166888045 432063292 /nfs/dbraw/zinc/06/32/92/432063292.db2.gz GZAZQDDHXTYMSH-HIFRSBDPSA-N 2 2 312.417 3.041 20 0 DGADLP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000166898969 432063317 /nfs/dbraw/zinc/06/33/17/432063317.db2.gz MMNWLXQYZJPUOL-STQMWFEESA-N 2 2 312.417 3.286 20 0 DGADLP C[NH2+]CCCC(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000237256194 202207625 /nfs/dbraw/zinc/20/76/25/202207625.db2.gz BZRIBSDMZPYGFL-UHFFFAOYSA-N 2 2 322.412 3.248 20 0 DGADLP Cc1ccc(Cc2noc([C@H](C)[NH+]3[C@H](C)CC[C@H]3C)n2)c[nH+]1 ZINC000276852917 213134008 /nfs/dbraw/zinc/13/40/08/213134008.db2.gz BIVDVVWWYRJKSK-MCIONIFRSA-N 2 2 300.406 3.298 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654700 432069935 /nfs/dbraw/zinc/06/99/35/432069935.db2.gz LPWIFJHQXWUBBI-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654700 432069937 /nfs/dbraw/zinc/06/99/37/432069937.db2.gz LPWIFJHQXWUBBI-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP COCC[C@@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000179841179 432071987 /nfs/dbraw/zinc/07/19/87/432071987.db2.gz LHLDICUSJVWTRM-OAHLLOKOSA-N 2 2 305.466 3.054 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179834527 199086195 /nfs/dbraw/zinc/08/61/95/199086195.db2.gz MAJMUGCMUHVUGK-UHFFFAOYSA-N 2 2 312.461 3.348 20 0 DGADLP CC1CC[NH+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)CC1 ZINC000276549702 212954643 /nfs/dbraw/zinc/95/46/43/212954643.db2.gz HQCDCSSXBDIBBE-VOTSOKGWSA-N 2 2 324.428 3.294 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)n2c1 ZINC000415061475 237047214 /nfs/dbraw/zinc/04/72/14/237047214.db2.gz YEWUJCGNWFAAFK-GOSISDBHSA-N 3 2 308.429 3.213 20 0 DGADLP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415042479 237028243 /nfs/dbraw/zinc/02/82/43/237028243.db2.gz QXPZPOSPADXPLP-PBHICJAKSA-N 3 2 321.896 3.021 20 0 DGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)cc1Br ZINC000415102257 237075512 /nfs/dbraw/zinc/07/55/12/237075512.db2.gz IMZWEUHHYUFVTL-MFKMUULPSA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1c1cccc(F)c1 ZINC000415126120 237095821 /nfs/dbraw/zinc/09/58/21/237095821.db2.gz PGMMQQNUNBHCBG-ZWKOTPCHSA-N 2 2 310.372 3.499 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1c1cccc(F)c1 ZINC000415126120 237095826 /nfs/dbraw/zinc/09/58/26/237095826.db2.gz PGMMQQNUNBHCBG-ZWKOTPCHSA-N 2 2 310.372 3.499 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000187948590 200181117 /nfs/dbraw/zinc/18/11/17/200181117.db2.gz PRDAMNYIOVEMAF-IEBWSBKVSA-N 2 2 324.472 3.000 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187948590 200181119 /nfs/dbraw/zinc/18/11/19/200181119.db2.gz PRDAMNYIOVEMAF-IEBWSBKVSA-N 2 2 324.472 3.000 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000187948536 200181572 /nfs/dbraw/zinc/18/15/72/200181572.db2.gz PRDAMNYIOVEMAF-MJGOQNOKSA-N 2 2 324.472 3.000 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187948536 200181574 /nfs/dbraw/zinc/18/15/74/200181574.db2.gz PRDAMNYIOVEMAF-MJGOQNOKSA-N 2 2 324.472 3.000 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000187948562 200181655 /nfs/dbraw/zinc/18/16/55/200181655.db2.gz PRDAMNYIOVEMAF-HKUYNNGSSA-N 2 2 324.472 3.000 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187948562 200181657 /nfs/dbraw/zinc/18/16/57/200181657.db2.gz PRDAMNYIOVEMAF-HKUYNNGSSA-N 2 2 324.472 3.000 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(C4(C)CC4)CC3)sc2C1 ZINC000449671768 240358499 /nfs/dbraw/zinc/35/84/99/240358499.db2.gz KXWJVBRHDRRBLY-UHFFFAOYSA-N 2 2 305.491 3.332 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(C4(C)CC4)CC3)sc2C1 ZINC000449671768 240358503 /nfs/dbraw/zinc/35/85/03/240358503.db2.gz KXWJVBRHDRRBLY-UHFFFAOYSA-N 2 2 305.491 3.332 20 0 DGADLP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422764774 237795881 /nfs/dbraw/zinc/79/58/81/237795881.db2.gz QHNBZJWLSXKPJT-BZPMIXESSA-N 2 2 316.367 3.203 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)c2ccccc21 ZINC000422856540 237804591 /nfs/dbraw/zinc/80/45/91/237804591.db2.gz GGNSZLNMDJBHSS-RBUKOAKNSA-N 2 2 321.424 3.048 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(C)c1OC ZINC000423399657 237847053 /nfs/dbraw/zinc/84/70/53/237847053.db2.gz WMOPUPFKQJHUJB-YOEHRIQHSA-N 2 2 320.477 3.441 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167217 237829029 /nfs/dbraw/zinc/82/90/29/237829029.db2.gz DVEQMZIDCZMJKM-PBHICJAKSA-N 2 2 322.880 3.019 20 0 DGADLP CCc1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000134863878 432088296 /nfs/dbraw/zinc/08/82/96/432088296.db2.gz RHVXWNVWDWCRAY-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000134863878 432088300 /nfs/dbraw/zinc/08/83/00/432088300.db2.gz RHVXWNVWDWCRAY-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000134863878 432088302 /nfs/dbraw/zinc/08/83/02/432088302.db2.gz RHVXWNVWDWCRAY-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000134863878 432088304 /nfs/dbraw/zinc/08/83/04/432088304.db2.gz RHVXWNVWDWCRAY-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)cn1 ZINC000281180121 216134958 /nfs/dbraw/zinc/13/49/58/216134958.db2.gz AWPAJOFIWGVNDI-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)cn1 ZINC000281180121 216134962 /nfs/dbraw/zinc/13/49/62/216134962.db2.gz AWPAJOFIWGVNDI-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000134886742 432088563 /nfs/dbraw/zinc/08/85/63/432088563.db2.gz TYBIRAAKECIRNQ-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000134886742 432088566 /nfs/dbraw/zinc/08/85/66/432088566.db2.gz TYBIRAAKECIRNQ-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134886742 432088569 /nfs/dbraw/zinc/08/85/69/432088569.db2.gz TYBIRAAKECIRNQ-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134886742 432088570 /nfs/dbraw/zinc/08/85/70/432088570.db2.gz TYBIRAAKECIRNQ-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000134886742 432088572 /nfs/dbraw/zinc/08/85/72/432088572.db2.gz TYBIRAAKECIRNQ-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000134886742 432088574 /nfs/dbraw/zinc/08/85/74/432088574.db2.gz TYBIRAAKECIRNQ-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccn2)cc1 ZINC000427860479 238004280 /nfs/dbraw/zinc/00/42/80/238004280.db2.gz AHFQBKUSIUBBMZ-QFBILLFUSA-N 2 2 322.387 3.111 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048501 238007620 /nfs/dbraw/zinc/00/76/20/238007620.db2.gz JDVUDMLHWVSYKF-RISCZKNCSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048501 238007621 /nfs/dbraw/zinc/00/76/21/238007621.db2.gz JDVUDMLHWVSYKF-RISCZKNCSA-N 2 2 315.244 3.056 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000428361007 238017464 /nfs/dbraw/zinc/01/74/64/238017464.db2.gz DCLXMUYESKARJT-ZFWWWQNUSA-N 2 2 302.422 3.386 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000428361007 238017465 /nfs/dbraw/zinc/01/74/65/238017465.db2.gz DCLXMUYESKARJT-ZFWWWQNUSA-N 2 2 302.422 3.386 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000134935010 432090391 /nfs/dbraw/zinc/09/03/91/432090391.db2.gz BTHQMPCBHKHLLP-ZBFHGGJFSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000134935010 432090395 /nfs/dbraw/zinc/09/03/95/432090395.db2.gz BTHQMPCBHKHLLP-ZBFHGGJFSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000134935010 432090397 /nfs/dbraw/zinc/09/03/97/432090397.db2.gz BTHQMPCBHKHLLP-ZBFHGGJFSA-N 2 2 317.477 3.421 20 0 DGADLP C[C@H](C[NH2+]Cc1nc2ccc(F)cc2s1)Cn1cc[nH+]c1 ZINC000428861545 238032878 /nfs/dbraw/zinc/03/28/78/238032878.db2.gz KVNKVQRLYYDRRE-LLVKDONJSA-N 2 2 304.394 3.058 20 0 DGADLP Fc1ccc2nc(C[NH2+]CCCNc3cccc[nH+]3)sc2c1 ZINC000428878545 238033732 /nfs/dbraw/zinc/03/37/32/238033732.db2.gz ACGHYSUULIZNLI-UHFFFAOYSA-N 2 2 316.405 3.422 20 0 DGADLP Cc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc(O)c2n1 ZINC000429684356 238057484 /nfs/dbraw/zinc/05/74/84/238057484.db2.gz KDOZVOBGNLZELN-UHFFFAOYSA-N 2 2 322.412 3.282 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000430550728 238079252 /nfs/dbraw/zinc/07/92/52/238079252.db2.gz ZODCJLDFPIFJEF-ILXRZTDVSA-N 2 2 314.433 3.165 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000430550728 238079253 /nfs/dbraw/zinc/07/92/53/238079253.db2.gz ZODCJLDFPIFJEF-ILXRZTDVSA-N 2 2 314.433 3.165 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000430572283 238080369 /nfs/dbraw/zinc/08/03/69/238080369.db2.gz FFRUJWZCOSAENF-HOCLYGCPSA-N 2 2 316.449 3.411 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000430572283 238080370 /nfs/dbraw/zinc/08/03/70/238080370.db2.gz FFRUJWZCOSAENF-HOCLYGCPSA-N 2 2 316.449 3.411 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430583055 238081014 /nfs/dbraw/zinc/08/10/14/238081014.db2.gz LQTDOPDCCVUCOA-MSOLQXFVSA-N 2 2 310.441 3.435 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430583055 238081015 /nfs/dbraw/zinc/08/10/15/238081015.db2.gz LQTDOPDCCVUCOA-MSOLQXFVSA-N 2 2 310.441 3.435 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C3CC3)cs2)cc1 ZINC000430583337 238081085 /nfs/dbraw/zinc/08/10/85/238081085.db2.gz XVWSLKYJKMWTDQ-QGZVFWFLSA-N 2 2 317.458 3.036 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000430596532 238081305 /nfs/dbraw/zinc/08/13/05/238081305.db2.gz WZRHCQYZRIOQMC-IAGOWNOFSA-N 2 2 319.493 3.244 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000430596532 238081306 /nfs/dbraw/zinc/08/13/06/238081306.db2.gz WZRHCQYZRIOQMC-IAGOWNOFSA-N 2 2 319.493 3.244 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626819 238082219 /nfs/dbraw/zinc/08/22/19/238082219.db2.gz MHYJLUHQTPCZPV-YVEFUNNKSA-N 2 2 303.381 3.182 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626819 238082220 /nfs/dbraw/zinc/08/22/20/238082220.db2.gz MHYJLUHQTPCZPV-YVEFUNNKSA-N 2 2 303.381 3.182 20 0 DGADLP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000430738809 238085408 /nfs/dbraw/zinc/08/54/08/238085408.db2.gz GKYARPVCBLMCJY-CQSZACIVSA-N 2 2 309.404 3.071 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000430744037 238085499 /nfs/dbraw/zinc/08/54/99/238085499.db2.gz QPTFFMNZBHXQOP-IRXDYDNUSA-N 2 2 312.417 3.109 20 0 DGADLP c1ccc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC000272001272 209373967 /nfs/dbraw/zinc/37/39/67/209373967.db2.gz NXFBPKSUWVXHSD-UHFFFAOYSA-N 2 2 307.441 3.325 20 0 DGADLP Fc1ccccc1CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000271901267 209311110 /nfs/dbraw/zinc/31/11/10/209311110.db2.gz GUCBKYHLDGNGPV-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435423557 238303300 /nfs/dbraw/zinc/30/33/00/238303300.db2.gz VCAOXLHVHNYBAD-QGZVFWFLSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccc(C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435423557 238303302 /nfs/dbraw/zinc/30/33/02/238303302.db2.gz VCAOXLHVHNYBAD-QGZVFWFLSA-N 2 2 315.486 3.372 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000422729584 296026501 /nfs/dbraw/zinc/02/65/01/296026501.db2.gz CAJITPFIEGXEBQ-JYBIWHBTSA-N 3 2 317.521 3.045 20 0 DGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271891581 209301727 /nfs/dbraw/zinc/30/17/27/209301727.db2.gz XECUFLUZZPHNPI-NXHRZFHOSA-N 2 2 313.445 3.360 20 0 DGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271891581 209301730 /nfs/dbraw/zinc/30/17/30/209301730.db2.gz XECUFLUZZPHNPI-NXHRZFHOSA-N 2 2 313.445 3.360 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1cccs1 ZINC000246096880 432095427 /nfs/dbraw/zinc/09/54/27/432095427.db2.gz HETMUWVUQFSSKW-DYVFJYSZSA-N 2 2 320.458 3.006 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1cccs1 ZINC000246096880 432095430 /nfs/dbraw/zinc/09/54/30/432095430.db2.gz HETMUWVUQFSSKW-DYVFJYSZSA-N 2 2 320.458 3.006 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193931995 201148317 /nfs/dbraw/zinc/14/83/17/201148317.db2.gz AWSXZDVUMCLTJH-FXAWDEMLSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193931995 201148319 /nfs/dbraw/zinc/14/83/19/201148319.db2.gz AWSXZDVUMCLTJH-FXAWDEMLSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193931995 201148322 /nfs/dbraw/zinc/14/83/22/201148322.db2.gz AWSXZDVUMCLTJH-FXAWDEMLSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000193931995 201148325 /nfs/dbraw/zinc/14/83/25/201148325.db2.gz AWSXZDVUMCLTJH-FXAWDEMLSA-N 2 2 324.472 3.469 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000189868331 432098720 /nfs/dbraw/zinc/09/87/20/432098720.db2.gz LVWQEECAPZIHJR-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000189868331 432098724 /nfs/dbraw/zinc/09/87/24/432098724.db2.gz LVWQEECAPZIHJR-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246134600 432099080 /nfs/dbraw/zinc/09/90/80/432099080.db2.gz JOTKAXPVZKQMPU-OLZOCXBDSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246134600 432099084 /nfs/dbraw/zinc/09/90/84/432099084.db2.gz JOTKAXPVZKQMPU-OLZOCXBDSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246134600 432099087 /nfs/dbraw/zinc/09/90/87/432099087.db2.gz JOTKAXPVZKQMPU-OLZOCXBDSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246134600 432099090 /nfs/dbraw/zinc/09/90/90/432099090.db2.gz JOTKAXPVZKQMPU-OLZOCXBDSA-N 2 2 320.462 3.133 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](Nc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444079461 239255606 /nfs/dbraw/zinc/25/56/06/239255606.db2.gz QFMGULGPJBRKST-KRWDZBQOSA-N 2 2 318.424 3.128 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](Nc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444079461 239255612 /nfs/dbraw/zinc/25/56/12/239255612.db2.gz QFMGULGPJBRKST-KRWDZBQOSA-N 2 2 318.424 3.128 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2F)CC[N@@H+]1Cc1ccccc1 ZINC000449171476 240050155 /nfs/dbraw/zinc/05/01/55/240050155.db2.gz AIGJNLAWNXZHOA-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2F)CC[N@H+]1Cc1ccccc1 ZINC000449171476 240050163 /nfs/dbraw/zinc/05/01/63/240050163.db2.gz AIGJNLAWNXZHOA-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCC34CCC4)[nH+]c2)C1 ZINC000449202511 240066305 /nfs/dbraw/zinc/06/63/05/240066305.db2.gz FTTITMGEJLSZIY-SJORKVTESA-N 2 2 314.477 3.357 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449222177 240076292 /nfs/dbraw/zinc/07/62/92/240076292.db2.gz VOMKPQCTAGFXHH-ZDUSSCGKSA-N 2 2 300.368 3.413 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449224027 240077563 /nfs/dbraw/zinc/07/75/63/240077563.db2.gz GVCUUYICSOORLB-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449224027 240077568 /nfs/dbraw/zinc/07/75/68/240077568.db2.gz GVCUUYICSOORLB-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000449256615 240093757 /nfs/dbraw/zinc/09/37/57/240093757.db2.gz JOXXFXPMTNNEOY-OLMNPRSZSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000449256615 240093762 /nfs/dbraw/zinc/09/37/62/240093762.db2.gz JOXXFXPMTNNEOY-OLMNPRSZSA-N 2 2 304.503 3.238 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449389331 240170239 /nfs/dbraw/zinc/17/02/39/240170239.db2.gz RZAZLFRWQSXDOU-UYSNPLJNSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449389331 240170245 /nfs/dbraw/zinc/17/02/45/240170245.db2.gz RZAZLFRWQSXDOU-UYSNPLJNSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449391262 240170268 /nfs/dbraw/zinc/17/02/68/240170268.db2.gz XUUJZRHDQHCHIQ-HKUYNNGSSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449391262 240170274 /nfs/dbraw/zinc/17/02/74/240170274.db2.gz XUUJZRHDQHCHIQ-HKUYNNGSSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393440 240170292 /nfs/dbraw/zinc/17/02/92/240170292.db2.gz CBLABMBHOLOFBZ-PKOBYXMFSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393440 240170298 /nfs/dbraw/zinc/17/02/98/240170298.db2.gz CBLABMBHOLOFBZ-PKOBYXMFSA-N 2 2 318.505 3.179 20 0 DGADLP CCC[C@H](C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000449394218 240173634 /nfs/dbraw/zinc/17/36/34/240173634.db2.gz FLTJBEAYPJVFRJ-RTBURBONSA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@H](C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000449394218 240173638 /nfs/dbraw/zinc/17/36/38/240173638.db2.gz FLTJBEAYPJVFRJ-RTBURBONSA-N 2 2 304.478 3.007 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325065 240132763 /nfs/dbraw/zinc/13/27/63/240132763.db2.gz JOOLCXQWAGOHOF-OLZOCXBDSA-N 2 2 305.372 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccccc2O1 ZINC000449422764 240194281 /nfs/dbraw/zinc/19/42/81/240194281.db2.gz FHOHUWNMPLGBRD-IUODEOHRSA-N 2 2 317.458 3.207 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000449485048 240236195 /nfs/dbraw/zinc/23/61/95/240236195.db2.gz KMMHPYNFVYMRNG-VXGBXAGGSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000449485048 240236200 /nfs/dbraw/zinc/23/62/00/240236200.db2.gz KMMHPYNFVYMRNG-VXGBXAGGSA-N 2 2 312.816 3.073 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000449542857 240275721 /nfs/dbraw/zinc/27/57/21/240275721.db2.gz RKJKQOQTEBORKP-OALUTQOASA-N 2 2 311.429 3.228 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](C)O ZINC000449547736 240279197 /nfs/dbraw/zinc/27/91/97/240279197.db2.gz YPEGQKSVIZDCSY-DYVFJYSZSA-N 2 2 310.869 3.053 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000449736529 240388441 /nfs/dbraw/zinc/38/84/41/240388441.db2.gz VNDMLGDOXJDLSQ-OXQOHEQNSA-N 2 2 309.457 3.309 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000449736529 240388447 /nfs/dbraw/zinc/38/84/47/240388447.db2.gz VNDMLGDOXJDLSQ-OXQOHEQNSA-N 2 2 309.457 3.309 20 0 DGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCC1 ZINC000449740314 240391637 /nfs/dbraw/zinc/39/16/37/240391637.db2.gz OJSCCDLUEOQYFQ-GOSISDBHSA-N 2 2 322.880 3.055 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccccc1 ZINC000091892245 193122840 /nfs/dbraw/zinc/12/28/40/193122840.db2.gz WRKCBKSGVIYJPC-MSOLQXFVSA-N 2 2 310.445 3.135 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccccc1 ZINC000091892245 193122841 /nfs/dbraw/zinc/12/28/41/193122841.db2.gz WRKCBKSGVIYJPC-MSOLQXFVSA-N 2 2 310.445 3.135 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccccc1 ZINC000091892245 193122843 /nfs/dbraw/zinc/12/28/43/193122843.db2.gz WRKCBKSGVIYJPC-MSOLQXFVSA-N 2 2 310.445 3.135 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccccc1 ZINC000091892245 193122844 /nfs/dbraw/zinc/12/28/44/193122844.db2.gz WRKCBKSGVIYJPC-MSOLQXFVSA-N 2 2 310.445 3.135 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000092043510 193146285 /nfs/dbraw/zinc/14/62/85/193146285.db2.gz YRSOXTZMGBBKDG-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000092043510 193146286 /nfs/dbraw/zinc/14/62/86/193146286.db2.gz YRSOXTZMGBBKDG-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000092043510 193146288 /nfs/dbraw/zinc/14/62/88/193146288.db2.gz YRSOXTZMGBBKDG-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000092043510 193146290 /nfs/dbraw/zinc/14/62/90/193146290.db2.gz YRSOXTZMGBBKDG-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[C@@H]1Cc2c([nH+]cn2Cc2[nH+]ccn2-c2ccccc2)C[C@@H]1C ZINC000451335196 241085384 /nfs/dbraw/zinc/08/53/84/241085384.db2.gz BLBHYTTXCHUBSB-LSDHHAIUSA-N 2 2 306.413 3.488 20 0 DGADLP C[C@H]1Cc2[nH+]cn(Cc3[nH+]ccn3-c3ccccc3)c2C[C@@H]1C ZINC000451335194 241086026 /nfs/dbraw/zinc/08/60/26/241086026.db2.gz BLBHYTTXCHUBSB-GJZGRUSLSA-N 2 2 306.413 3.488 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451497658 241146597 /nfs/dbraw/zinc/14/65/97/241146597.db2.gz WNNDVYYUCZMSQD-QRVBRYPASA-N 2 2 323.440 3.228 20 0 DGADLP Fc1cc(F)cc(CC2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000451917758 241273966 /nfs/dbraw/zinc/27/39/66/241273966.db2.gz CJKFAWKKXDPRHZ-UHFFFAOYSA-N 2 2 305.372 3.116 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3[C@H](C)CCC[C@H]3C)c2cc1C ZINC000246225755 432109150 /nfs/dbraw/zinc/10/91/50/432109150.db2.gz FIKJLPSVCBEANJ-ZACQAIPSSA-N 2 2 315.461 3.277 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180992132 432109717 /nfs/dbraw/zinc/10/97/17/432109717.db2.gz IVURHDQTDYNWAM-QLFBSQMISA-N 2 2 300.450 3.190 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180992132 432109719 /nfs/dbraw/zinc/10/97/19/432109719.db2.gz IVURHDQTDYNWAM-QLFBSQMISA-N 2 2 300.450 3.190 20 0 DGADLP C[C@@H](C[NH2+]Cc1cnc(-c2cccs2)s1)Cn1cc[nH+]c1 ZINC000083453709 283932840 /nfs/dbraw/zinc/93/28/40/283932840.db2.gz KKUKXFZKQAKEOU-LBPRGKRZSA-N 2 2 318.471 3.494 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000455481735 242213556 /nfs/dbraw/zinc/21/35/56/242213556.db2.gz OYPHXKZRTQRMFA-INIZCTEOSA-N 2 2 316.449 3.099 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487077 242215158 /nfs/dbraw/zinc/21/51/58/242215158.db2.gz SHQGQXFKYRGAPB-IUODEOHRSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487077 242215163 /nfs/dbraw/zinc/21/51/63/242215163.db2.gz SHQGQXFKYRGAPB-IUODEOHRSA-N 2 2 318.465 3.249 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183515 212179551 /nfs/dbraw/zinc/17/95/51/212179551.db2.gz BDWWFFPZHHBWOF-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183515 212179555 /nfs/dbraw/zinc/17/95/55/212179555.db2.gz BDWWFFPZHHBWOF-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183515 212179558 /nfs/dbraw/zinc/17/95/58/212179558.db2.gz BDWWFFPZHHBWOF-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3Cl)CC[C@H]21 ZINC000275183515 212179560 /nfs/dbraw/zinc/17/95/60/212179560.db2.gz BDWWFFPZHHBWOF-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP Cc1cnc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000459471049 243383968 /nfs/dbraw/zinc/38/39/68/243383968.db2.gz FPIZODAMOMFCJG-OAHLLOKOSA-N 2 2 322.412 3.414 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468554227 244052391 /nfs/dbraw/zinc/05/23/91/244052391.db2.gz MTQKWYMJMZOVGO-BWPNAZKDSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468554227 244052396 /nfs/dbraw/zinc/05/23/96/244052396.db2.gz MTQKWYMJMZOVGO-BWPNAZKDSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468556435 244053267 /nfs/dbraw/zinc/05/32/67/244053267.db2.gz SRESVADIWZNHSE-PXNSSMCTSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468556435 244053271 /nfs/dbraw/zinc/05/32/71/244053271.db2.gz SRESVADIWZNHSE-PXNSSMCTSA-N 2 2 316.489 3.303 20 0 DGADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000261732103 203104550 /nfs/dbraw/zinc/10/45/50/203104550.db2.gz FXFRTLFZVVCAMA-GFCCVEGCSA-N 2 2 312.417 3.159 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468431763 244040546 /nfs/dbraw/zinc/04/05/46/244040546.db2.gz ZIBXEJVFNOQBRX-RAUXBKROSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468431763 244040553 /nfs/dbraw/zinc/04/05/53/244040553.db2.gz ZIBXEJVFNOQBRX-RAUXBKROSA-N 2 2 318.505 3.284 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468428719 244041031 /nfs/dbraw/zinc/04/10/31/244041031.db2.gz SFCZOKFWBVEZHX-NEWSRXKRSA-N 2 2 304.478 3.038 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468428719 244041037 /nfs/dbraw/zinc/04/10/37/244041037.db2.gz SFCZOKFWBVEZHX-NEWSRXKRSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468510687 244047273 /nfs/dbraw/zinc/04/72/73/244047273.db2.gz HKBRYQGOGIAHSG-UMGGQSCQSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468510687 244047276 /nfs/dbraw/zinc/04/72/76/244047276.db2.gz HKBRYQGOGIAHSG-UMGGQSCQSA-N 2 2 316.489 3.302 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093400391 193245078 /nfs/dbraw/zinc/24/50/78/193245078.db2.gz CQPMAVQOZNQUEO-UONOGXRCSA-N 2 2 307.507 3.404 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093400391 193245079 /nfs/dbraw/zinc/24/50/79/193245079.db2.gz CQPMAVQOZNQUEO-UONOGXRCSA-N 2 2 307.507 3.404 20 0 DGADLP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000093564175 193269929 /nfs/dbraw/zinc/26/99/29/193269929.db2.gz XGJFQOQVXSSBLF-KRWDZBQOSA-N 2 2 304.482 3.088 20 0 DGADLP CC(C)(C)n1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000093564175 193269930 /nfs/dbraw/zinc/26/99/30/193269930.db2.gz XGJFQOQVXSSBLF-KRWDZBQOSA-N 2 2 304.482 3.088 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597093 193272819 /nfs/dbraw/zinc/27/28/19/193272819.db2.gz YVQPNBKPXFWXDF-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597093 193272820 /nfs/dbraw/zinc/27/28/20/193272820.db2.gz YVQPNBKPXFWXDF-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693813 193291333 /nfs/dbraw/zinc/29/13/33/193291333.db2.gz QTVUVPVVJOTVAC-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693813 193291335 /nfs/dbraw/zinc/29/13/35/193291335.db2.gz QTVUVPVVJOTVAC-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000122019180 284211412 /nfs/dbraw/zinc/21/14/12/284211412.db2.gz DEIJBFPRFHQOET-BQFCYCMXSA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000122019180 284211416 /nfs/dbraw/zinc/21/14/16/284211416.db2.gz DEIJBFPRFHQOET-BQFCYCMXSA-N 2 2 304.478 3.300 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H]3C[C@H]3C)[nH+]c12 ZINC000488562302 245211793 /nfs/dbraw/zinc/21/17/93/245211793.db2.gz RONBKSQAVPAFDW-ZYHUDNBSSA-N 2 2 322.250 3.193 20 0 DGADLP Fc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000489197979 245279188 /nfs/dbraw/zinc/27/91/88/245279188.db2.gz YNMDTWSHGOBRQD-UHFFFAOYSA-N 2 2 323.371 3.406 20 0 DGADLP Fc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000489197979 245279194 /nfs/dbraw/zinc/27/91/94/245279194.db2.gz YNMDTWSHGOBRQD-UHFFFAOYSA-N 2 2 323.371 3.406 20 0 DGADLP c1ccc2c(NCc3cc[nH+]c(N4CCOCC4)c3)cc[nH+]c2c1 ZINC000264664428 204062086 /nfs/dbraw/zinc/06/20/86/204062086.db2.gz RVAUBIVUKASKCU-UHFFFAOYSA-N 2 2 320.396 3.079 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264950871 204297352 /nfs/dbraw/zinc/29/73/52/204297352.db2.gz BKGHZGWDAZBHSZ-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264950871 204297353 /nfs/dbraw/zinc/29/73/53/204297353.db2.gz BKGHZGWDAZBHSZ-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H](C)[N@H+](C)C2CC2)c1C ZINC000264957027 204302043 /nfs/dbraw/zinc/30/20/43/204302043.db2.gz MLZKIWCFAKAQEZ-LBPRGKRZSA-N 2 2 311.433 3.050 20 0 DGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H](C)[N@@H+](C)C2CC2)c1C ZINC000264957027 204302046 /nfs/dbraw/zinc/30/20/46/204302046.db2.gz MLZKIWCFAKAQEZ-LBPRGKRZSA-N 2 2 311.433 3.050 20 0 DGADLP COCc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000266193854 205172551 /nfs/dbraw/zinc/17/25/51/205172551.db2.gz JKDYVMNMSBTXJW-UHFFFAOYSA-N 2 2 321.424 3.368 20 0 DGADLP FC1(F)CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000282874323 217293105 /nfs/dbraw/zinc/29/31/05/217293105.db2.gz VJEXIFRUHGYNAU-AWEZNQCLSA-N 2 2 309.404 3.466 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774916 432130382 /nfs/dbraw/zinc/13/03/82/432130382.db2.gz NGEWZUMWKTXKAY-SNRMKQJTSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774916 432130385 /nfs/dbraw/zinc/13/03/85/432130385.db2.gz NGEWZUMWKTXKAY-SNRMKQJTSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774916 432130388 /nfs/dbraw/zinc/13/03/88/432130388.db2.gz NGEWZUMWKTXKAY-SNRMKQJTSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774916 432130390 /nfs/dbraw/zinc/13/03/90/432130390.db2.gz NGEWZUMWKTXKAY-SNRMKQJTSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000288533686 220209929 /nfs/dbraw/zinc/20/99/29/220209929.db2.gz VYYGFZZJVVYMNJ-LPHOPBHVSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000288533686 220209931 /nfs/dbraw/zinc/20/99/31/220209931.db2.gz VYYGFZZJVVYMNJ-LPHOPBHVSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781994 432132310 /nfs/dbraw/zinc/13/23/10/432132310.db2.gz PZPDGBSZDZFEHO-XIRDDKMYSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781994 432132314 /nfs/dbraw/zinc/13/23/14/432132314.db2.gz PZPDGBSZDZFEHO-XIRDDKMYSA-N 2 2 316.445 3.125 20 0 DGADLP O=C(/C=C\c1[nH]cc[nH+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000493611841 246022791 /nfs/dbraw/zinc/02/27/91/246022791.db2.gz MWHBGIYMJSZLNE-KTKRTIGZSA-N 2 2 324.428 3.438 20 0 DGADLP COC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268783762 432133273 /nfs/dbraw/zinc/13/32/73/432133273.db2.gz BSTWKEKQQRJAOS-CQSZACIVSA-N 2 2 310.869 3.177 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767698 246062231 /nfs/dbraw/zinc/06/22/31/246062231.db2.gz NLRJPZQRFOYSPH-ZJPYXAASSA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767698 246062235 /nfs/dbraw/zinc/06/22/35/246062235.db2.gz NLRJPZQRFOYSPH-ZJPYXAASSA-N 2 2 306.494 3.188 20 0 DGADLP CC(C)CCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494394601 246143194 /nfs/dbraw/zinc/14/31/94/246143194.db2.gz VTVUBPNQHBUCME-KRWDZBQOSA-N 2 2 313.445 3.413 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)c1 ZINC000494405922 246143525 /nfs/dbraw/zinc/14/35/25/246143525.db2.gz OQTVIHPPZKXVSP-NSHDSACASA-N 2 2 316.455 3.173 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(-c3ccccn3)c1)CC2 ZINC000494410478 246144870 /nfs/dbraw/zinc/14/48/70/246144870.db2.gz KFDRSEBRUUKVCH-KRWDZBQOSA-N 2 2 304.397 3.050 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cncc(F)c3)CC2)cc1 ZINC000494593199 246168731 /nfs/dbraw/zinc/16/87/31/246168731.db2.gz CUDHZLACAVFKHT-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000494961427 246215714 /nfs/dbraw/zinc/21/57/14/246215714.db2.gz ZPRZZMVMDPZCLV-KRWDZBQOSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000494961427 246215722 /nfs/dbraw/zinc/21/57/22/246215722.db2.gz ZPRZZMVMDPZCLV-KRWDZBQOSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000494961427 246215728 /nfs/dbraw/zinc/21/57/28/246215728.db2.gz ZPRZZMVMDPZCLV-KRWDZBQOSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000494961427 246215731 /nfs/dbraw/zinc/21/57/31/246215731.db2.gz ZPRZZMVMDPZCLV-KRWDZBQOSA-N 2 2 320.452 3.388 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267538587 206132111 /nfs/dbraw/zinc/13/21/11/206132111.db2.gz WXMOWMZHDVEZMS-KDOFPFPSSA-N 2 2 313.445 3.434 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267538587 206132116 /nfs/dbraw/zinc/13/21/16/206132116.db2.gz WXMOWMZHDVEZMS-KDOFPFPSSA-N 2 2 313.445 3.434 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183357 246245047 /nfs/dbraw/zinc/24/50/47/246245047.db2.gz KIBJNYVEFLUKEF-HOTGVXAUSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183357 246245049 /nfs/dbraw/zinc/24/50/49/246245049.db2.gz KIBJNYVEFLUKEF-HOTGVXAUSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183357 246245052 /nfs/dbraw/zinc/24/50/52/246245052.db2.gz KIBJNYVEFLUKEF-HOTGVXAUSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183357 246245054 /nfs/dbraw/zinc/24/50/54/246245054.db2.gz KIBJNYVEFLUKEF-HOTGVXAUSA-N 2 2 324.415 3.431 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268815414 432141099 /nfs/dbraw/zinc/14/10/99/432141099.db2.gz KERMVPBNFYTKBS-HFBAOOFYSA-N 2 2 306.450 3.435 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268815414 432141100 /nfs/dbraw/zinc/14/11/00/432141100.db2.gz KERMVPBNFYTKBS-HFBAOOFYSA-N 2 2 306.450 3.435 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000181742456 432143142 /nfs/dbraw/zinc/14/31/42/432143142.db2.gz KJZDBRCEVCMGKL-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000181742456 432143145 /nfs/dbraw/zinc/14/31/45/432143145.db2.gz KJZDBRCEVCMGKL-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000453130008 284686295 /nfs/dbraw/zinc/68/62/95/284686295.db2.gz OCSKLJULSWOOHE-ULQDDVLXSA-N 2 2 306.498 3.454 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)[nH]1 ZINC000285166525 218317136 /nfs/dbraw/zinc/31/71/36/218317136.db2.gz UVJZQYKFQBWNIT-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)[nH]1 ZINC000285166525 218317138 /nfs/dbraw/zinc/31/71/38/218317138.db2.gz UVJZQYKFQBWNIT-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268840577 207005150 /nfs/dbraw/zinc/00/51/50/207005150.db2.gz UEYPRWZKXMWGRD-ZQIUZPCESA-N 2 2 318.461 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268840577 207005154 /nfs/dbraw/zinc/00/51/54/207005154.db2.gz UEYPRWZKXMWGRD-ZQIUZPCESA-N 2 2 318.461 3.146 20 0 DGADLP CC(C)(C)[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000110250138 194318322 /nfs/dbraw/zinc/31/83/22/194318322.db2.gz GKPJZLITHYUDLL-UHFFFAOYSA-N 2 2 317.481 3.142 20 0 DGADLP CC(C)(C)[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000110250138 194318324 /nfs/dbraw/zinc/31/83/24/194318324.db2.gz GKPJZLITHYUDLL-UHFFFAOYSA-N 2 2 317.481 3.142 20 0 DGADLP CC(C)c1nc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc[nH+]1 ZINC000110249099 194317856 /nfs/dbraw/zinc/31/78/56/194317856.db2.gz PUJWARQHWMHJHO-HNNXBMFYSA-N 2 2 302.397 3.454 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000268850773 207018001 /nfs/dbraw/zinc/01/80/01/207018001.db2.gz XWJFHRCLFHZTFU-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000268925275 207092269 /nfs/dbraw/zinc/09/22/69/207092269.db2.gz VYAADKMSHZUHBV-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000268925275 207092273 /nfs/dbraw/zinc/09/22/73/207092273.db2.gz VYAADKMSHZUHBV-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000268951428 207116631 /nfs/dbraw/zinc/11/66/31/207116631.db2.gz CKECVVMAVIVADK-RHSMWYFYSA-N 2 2 311.385 3.158 20 0 DGADLP CC(C)([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000058032058 184069872 /nfs/dbraw/zinc/06/98/72/184069872.db2.gz UWJFEPSOBCWFOC-UHFFFAOYSA-N 2 2 307.825 3.398 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000268992409 207148488 /nfs/dbraw/zinc/14/84/88/207148488.db2.gz GTYLVVICVAYPOD-SIXWZSSISA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000268992409 207148492 /nfs/dbraw/zinc/14/84/92/207148492.db2.gz GTYLVVICVAYPOD-SIXWZSSISA-N 2 2 324.472 3.407 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccccc1Br)C[NH+]1CCCC1 ZINC000057994078 184065680 /nfs/dbraw/zinc/06/56/80/184065680.db2.gz SVQBEABVKRBNOJ-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020801 207170565 /nfs/dbraw/zinc/17/05/65/207170565.db2.gz PXWAECRQOBTMEU-GUXCAODWSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020801 207170568 /nfs/dbraw/zinc/17/05/68/207170568.db2.gz PXWAECRQOBTMEU-GUXCAODWSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020828 207171503 /nfs/dbraw/zinc/17/15/03/207171503.db2.gz PXWAECRQOBTMEU-TWOQFEAHSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020828 207171508 /nfs/dbraw/zinc/17/15/08/207171508.db2.gz PXWAECRQOBTMEU-TWOQFEAHSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269029162 207180649 /nfs/dbraw/zinc/18/06/49/207180649.db2.gz RLJQRHBZFKNMRH-OAHLLOKOSA-N 3 2 323.912 3.234 20 0 DGADLP C[C@H](C[NH2+]Cc1sccc1Br)C[NH+]1CCCC1 ZINC000062071095 184204544 /nfs/dbraw/zinc/20/45/44/184204544.db2.gz BXHLKGBCOONCEO-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062707645 184248684 /nfs/dbraw/zinc/24/86/84/184248684.db2.gz BMMUUONPBRZTHF-UHFFFAOYSA-N 2 2 300.368 3.458 20 0 DGADLP CSc1ccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430590748 532986832 /nfs/dbraw/zinc/98/68/32/532986832.db2.gz LYZZOWNXDHSKQM-UHFFFAOYSA-N 2 2 320.502 3.251 20 0 DGADLP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268869736 252785531 /nfs/dbraw/zinc/78/55/31/252785531.db2.gz UWEFHRWVYPAMIM-KRWDZBQOSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626818 532997956 /nfs/dbraw/zinc/99/79/56/532997956.db2.gz MHYJLUHQTPCZPV-SJKOYZFVSA-N 2 2 303.381 3.182 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626818 532997960 /nfs/dbraw/zinc/99/79/60/532997960.db2.gz MHYJLUHQTPCZPV-SJKOYZFVSA-N 2 2 303.381 3.182 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838612 195046609 /nfs/dbraw/zinc/04/66/09/195046609.db2.gz FCNPNKOEYSTCRY-YJBOKZPZSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838612 195046612 /nfs/dbraw/zinc/04/66/12/195046612.db2.gz FCNPNKOEYSTCRY-YJBOKZPZSA-N 2 2 324.428 3.175 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000119872175 195053276 /nfs/dbraw/zinc/05/32/76/195053276.db2.gz AYHVWSJRKZGHJQ-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000119872175 195053278 /nfs/dbraw/zinc/05/32/78/195053278.db2.gz AYHVWSJRKZGHJQ-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000119990927 195076457 /nfs/dbraw/zinc/07/64/57/195076457.db2.gz KJXDJPMOTJIDBD-CQSZACIVSA-N 2 2 304.438 3.024 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000119990927 195076459 /nfs/dbraw/zinc/07/64/59/195076459.db2.gz KJXDJPMOTJIDBD-CQSZACIVSA-N 2 2 304.438 3.024 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000119943018 195067250 /nfs/dbraw/zinc/06/72/50/195067250.db2.gz NJKSCHWJBIDDLY-FCEWJHQRSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000119943018 195067252 /nfs/dbraw/zinc/06/72/52/195067252.db2.gz NJKSCHWJBIDDLY-FCEWJHQRSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000120032689 195084316 /nfs/dbraw/zinc/08/43/16/195084316.db2.gz MWSLYARUVXPBPN-KRWDZBQOSA-N 2 2 312.417 3.123 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120122192 195100690 /nfs/dbraw/zinc/10/06/90/195100690.db2.gz KRTMGWVDIDWFLR-OAHLLOKOSA-N 3 2 300.450 3.111 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000249172442 285061547 /nfs/dbraw/zinc/06/15/47/285061547.db2.gz CJHNIZKPHXPWEJ-GVDBMIGSSA-N 2 2 316.424 3.101 20 0 DGADLP C[C@H]1Cc2[nH+]cn(Cc3[nH+]ccn3CC(F)(F)F)c2C[C@@H]1C ZINC000336863772 253012229 /nfs/dbraw/zinc/01/22/29/253012229.db2.gz CVKQSJPSRIWASW-QWRGUYRKSA-N 2 2 312.339 3.061 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC(C)(C)C3)c2cc1C ZINC000336872091 253015785 /nfs/dbraw/zinc/01/57/85/253015785.db2.gz OMKSIODQRZZZCQ-INIZCTEOSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC(C)(C)C3)c2cc1C ZINC000336872091 253015786 /nfs/dbraw/zinc/01/57/86/253015786.db2.gz OMKSIODQRZZZCQ-INIZCTEOSA-N 2 2 315.461 3.136 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@@H+]1C1CC1 ZINC000337308766 253083833 /nfs/dbraw/zinc/08/38/33/253083833.db2.gz VDESLGRHZQQNDV-XJKSGUPXSA-N 2 2 315.436 3.454 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@H+]1C1CC1 ZINC000337308766 253083835 /nfs/dbraw/zinc/08/38/35/253083835.db2.gz VDESLGRHZQQNDV-XJKSGUPXSA-N 2 2 315.436 3.454 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1OC ZINC000337363282 253097806 /nfs/dbraw/zinc/09/78/06/253097806.db2.gz AFYOIRWVPDZQGS-UXLLHSPISA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1OC ZINC000337363282 253097808 /nfs/dbraw/zinc/09/78/08/253097808.db2.gz AFYOIRWVPDZQGS-UXLLHSPISA-N 2 2 320.477 3.016 20 0 DGADLP C([NH2+][C@@H]1CCC12CCC2)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000337492496 253126679 /nfs/dbraw/zinc/12/66/79/253126679.db2.gz WZZSBUNFXWRHQK-QGZVFWFLSA-N 2 2 306.494 3.191 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337501751 253128584 /nfs/dbraw/zinc/12/85/84/253128584.db2.gz BSGLGTXZWVTIJW-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337501751 253128585 /nfs/dbraw/zinc/12/85/85/253128585.db2.gz BSGLGTXZWVTIJW-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1F ZINC000338017283 253210707 /nfs/dbraw/zinc/21/07/07/253210707.db2.gz LBQJLHMFBLPGEU-NSHDSACASA-N 2 2 319.346 3.288 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000252711173 285104270 /nfs/dbraw/zinc/10/42/70/285104270.db2.gz ISXAGGOOFUKEAZ-IINYFYTJSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000252711173 285104271 /nfs/dbraw/zinc/10/42/71/285104271.db2.gz ISXAGGOOFUKEAZ-IINYFYTJSA-N 2 2 315.230 3.018 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852874 197306728 /nfs/dbraw/zinc/30/67/28/197306728.db2.gz SJFSBPVRJGNVMW-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852874 197306729 /nfs/dbraw/zinc/30/67/29/197306729.db2.gz SJFSBPVRJGNVMW-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852874 197306731 /nfs/dbraw/zinc/30/67/31/197306731.db2.gz SJFSBPVRJGNVMW-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)CC[C@@H]21 ZINC000158852874 197306733 /nfs/dbraw/zinc/30/67/33/197306733.db2.gz SJFSBPVRJGNVMW-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP COC1(CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000339053100 253398036 /nfs/dbraw/zinc/39/80/36/253398036.db2.gz UVKNMUXTSLDNSW-UHFFFAOYSA-N 2 2 304.478 3.446 20 0 DGADLP COC1(CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000339053100 253398038 /nfs/dbraw/zinc/39/80/38/253398038.db2.gz UVKNMUXTSLDNSW-UHFFFAOYSA-N 2 2 304.478 3.446 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000338991288 253384366 /nfs/dbraw/zinc/38/43/66/253384366.db2.gz MSBUCQCRLCANQD-APWZRJJASA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000338991288 253384369 /nfs/dbraw/zinc/38/43/69/253384369.db2.gz MSBUCQCRLCANQD-APWZRJJASA-N 2 2 302.462 3.323 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000272907359 210295689 /nfs/dbraw/zinc/29/56/89/210295689.db2.gz KXZSKPHNSSIGCN-PBHICJAKSA-N 2 2 308.491 3.092 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000158510641 197279893 /nfs/dbraw/zinc/27/98/93/197279893.db2.gz HSNQVHIMHSRRNS-JKSUJKDBSA-N 2 2 318.490 3.150 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000288746182 220387827 /nfs/dbraw/zinc/38/78/27/220387827.db2.gz MTDHKZQUYABSNB-CXAGYDPISA-N 2 2 311.385 3.201 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000342672874 254029844 /nfs/dbraw/zinc/02/98/44/254029844.db2.gz FMECNAKQHBFMBO-JFIYKMOQSA-N 2 2 312.461 3.172 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000342775643 254047639 /nfs/dbraw/zinc/04/76/39/254047639.db2.gz HPWPLJUMYIKYPL-UHFFFAOYSA-N 2 2 321.428 3.250 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000343462011 254147204 /nfs/dbraw/zinc/14/72/04/254147204.db2.gz JYPAGFSJGSMKPO-SWLSCSKDSA-N 2 2 315.442 3.033 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000157462429 197188622 /nfs/dbraw/zinc/18/86/22/197188622.db2.gz SSDFWAVARHFXTI-PKOBYXMFSA-N 2 2 312.461 3.088 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827223 254193193 /nfs/dbraw/zinc/19/31/93/254193193.db2.gz AFGICYXVSCWWLV-NXEZZACHSA-N 2 2 319.396 3.297 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827223 254193194 /nfs/dbraw/zinc/19/31/94/254193194.db2.gz AFGICYXVSCWWLV-NXEZZACHSA-N 2 2 319.396 3.297 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000343864190 254197561 /nfs/dbraw/zinc/19/75/61/254197561.db2.gz PXFLUHCVKFIKOS-VIFPVBQESA-N 2 2 319.396 3.439 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000343873576 254198566 /nfs/dbraw/zinc/19/85/66/254198566.db2.gz QDSLIAUJPQUNLR-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000343873576 254198567 /nfs/dbraw/zinc/19/85/67/254198567.db2.gz QDSLIAUJPQUNLR-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000343873576 254198568 /nfs/dbraw/zinc/19/85/68/254198568.db2.gz QDSLIAUJPQUNLR-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000343873576 254198569 /nfs/dbraw/zinc/19/85/69/254198569.db2.gz QDSLIAUJPQUNLR-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CCSC1 ZINC000344073611 254221490 /nfs/dbraw/zinc/22/14/90/254221490.db2.gz MCSGGCMIHVZYPF-DLBZAZTESA-N 2 2 308.466 3.230 20 0 DGADLP CC(C)CO[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000344078475 254221674 /nfs/dbraw/zinc/22/16/74/254221674.db2.gz FWTXTQBFERMOAM-IRXDYDNUSA-N 2 2 319.493 3.191 20 0 DGADLP C[NH+](C)Cc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000344213518 254239629 /nfs/dbraw/zinc/23/96/29/254239629.db2.gz QPKCELHNRSOJSY-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332270 254257899 /nfs/dbraw/zinc/25/78/99/254257899.db2.gz YTIKWFSTMGGMFM-DOMZBBRYSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332270 254257900 /nfs/dbraw/zinc/25/79/00/254257900.db2.gz YTIKWFSTMGGMFM-DOMZBBRYSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000294657153 224148332 /nfs/dbraw/zinc/14/83/32/224148332.db2.gz ADXMHSQNUCQIAA-STQMWFEESA-N 2 2 305.809 3.183 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1(C)C ZINC000344688419 254295616 /nfs/dbraw/zinc/29/56/16/254295616.db2.gz BMIHXVIGVCAZNV-NRSFXHEJSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1(C)C ZINC000344688419 254295618 /nfs/dbraw/zinc/29/56/18/254295618.db2.gz BMIHXVIGVCAZNV-NRSFXHEJSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000344686406 254295659 /nfs/dbraw/zinc/29/56/59/254295659.db2.gz RDBCERGDKBMPPZ-RYUDHWBXSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686406 254295660 /nfs/dbraw/zinc/29/56/60/254295660.db2.gz RDBCERGDKBMPPZ-RYUDHWBXSA-N 2 2 307.488 3.444 20 0 DGADLP CO[C@@]1(C)C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000344740479 254301318 /nfs/dbraw/zinc/30/13/18/254301318.db2.gz MDTGBJNUUHUJKT-MJGOQNOKSA-N 2 2 313.445 3.474 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000344784004 254305456 /nfs/dbraw/zinc/30/54/56/254305456.db2.gz YJAHGGIGKLTBAU-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344784004 254305458 /nfs/dbraw/zinc/30/54/58/254305458.db2.gz YJAHGGIGKLTBAU-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1Br ZINC000156728110 197136763 /nfs/dbraw/zinc/13/67/63/197136763.db2.gz BLFKWPCUZCGHNA-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000120347217 195149057 /nfs/dbraw/zinc/14/90/57/195149057.db2.gz UIINXUARIYUEKZ-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](c3ccco3)N3CCCC3)n2c1 ZINC000155610647 197071654 /nfs/dbraw/zinc/07/16/54/197071654.db2.gz LMIBSRVSIRZGKE-QGZVFWFLSA-N 2 2 324.428 3.162 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155022261 197014081 /nfs/dbraw/zinc/01/40/81/197014081.db2.gz PKIULPKMQAKKIH-MBNYWOFBSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155022261 197014083 /nfs/dbraw/zinc/01/40/83/197014083.db2.gz PKIULPKMQAKKIH-MBNYWOFBSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000153337696 196870855 /nfs/dbraw/zinc/87/08/55/196870855.db2.gz AMTPLIVJBZBXNM-LSDHHAIUSA-N 2 2 302.418 3.052 20 0 DGADLP Cc1cc(N2CCC(CCC[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301941000 285276060 /nfs/dbraw/zinc/27/60/60/285276060.db2.gz UNNWGCUBEXYXTH-UHFFFAOYSA-N 2 2 304.482 3.467 20 0 DGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N(C)C ZINC000120741314 195228780 /nfs/dbraw/zinc/22/87/80/195228780.db2.gz CUILTRAEFWKZFQ-LPHOPBHVSA-N 2 2 314.477 3.499 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000120887429 195257901 /nfs/dbraw/zinc/25/79/01/195257901.db2.gz PKUWJKCJIXPPNO-LPHOPBHVSA-N 2 2 302.462 3.228 20 0 DGADLP COCCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccncc1 ZINC000289501904 221023564 /nfs/dbraw/zinc/02/35/64/221023564.db2.gz SXURBJOFEKBVJC-UHFFFAOYSA-N 2 2 313.445 3.256 20 0 DGADLP COCCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccncc1 ZINC000289501904 221023566 /nfs/dbraw/zinc/02/35/66/221023566.db2.gz SXURBJOFEKBVJC-UHFFFAOYSA-N 2 2 313.445 3.256 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000289506440 221026213 /nfs/dbraw/zinc/02/62/13/221026213.db2.gz DZFXCRPNYRJNMC-SFHVURJKSA-N 3 2 301.478 3.130 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000289506440 221026216 /nfs/dbraw/zinc/02/62/16/221026216.db2.gz DZFXCRPNYRJNMC-SFHVURJKSA-N 3 2 301.478 3.130 20 0 DGADLP COC(=O)Nc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289780738 221221308 /nfs/dbraw/zinc/22/13/08/221221308.db2.gz RPRCBEBVNQSXRG-UHFFFAOYSA-N 2 2 313.401 3.291 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000289863387 221275931 /nfs/dbraw/zinc/27/59/31/221275931.db2.gz LDZCIJGTLVSBTO-CXAGYDPISA-N 2 2 311.385 3.201 20 0 DGADLP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289994827 221367502 /nfs/dbraw/zinc/36/75/02/221367502.db2.gz KSLLUFZMBRALHZ-SUMWQHHRSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCc1c[nH+]cn1C ZINC000289994827 221367504 /nfs/dbraw/zinc/36/75/04/221367504.db2.gz KSLLUFZMBRALHZ-SUMWQHHRSA-N 2 2 319.836 3.078 20 0 DGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290007435 221377107 /nfs/dbraw/zinc/37/71/07/221377107.db2.gz DNDVXSKVTWUFSH-IAGOWNOFSA-N 2 2 311.385 3.201 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451028 285358152 /nfs/dbraw/zinc/35/81/52/285358152.db2.gz VQNDOYPGDOYEKO-PBHICJAKSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451028 285358153 /nfs/dbraw/zinc/35/81/53/285358153.db2.gz VQNDOYPGDOYEKO-PBHICJAKSA-N 2 2 320.477 3.017 20 0 DGADLP CCCc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000121775987 195345021 /nfs/dbraw/zinc/34/50/21/195345021.db2.gz XFIVVTQFGUOLLC-UHFFFAOYSA-N 2 2 320.481 3.110 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000428214074 533406367 /nfs/dbraw/zinc/40/63/67/533406367.db2.gz BEMMDZJORBVLJU-APWZRJJASA-N 2 2 313.445 3.021 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)cc2Br)C1 ZINC000164113977 132130693 /nfs/dbraw/zinc/13/06/93/132130693.db2.gz FZKDBKBQLJRFRT-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)cc2Br)C1 ZINC000164113977 132130695 /nfs/dbraw/zinc/13/06/95/132130695.db2.gz FZKDBKBQLJRFRT-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356838655 285515927 /nfs/dbraw/zinc/51/59/27/285515927.db2.gz DSKPXQVJPSXONG-ZBFHGGJFSA-N 2 2 301.434 3.140 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000091265316 400109122 /nfs/dbraw/zinc/10/91/22/400109122.db2.gz VJFUBPJRMHTOLC-AWEZNQCLSA-N 2 2 300.450 3.191 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000091306355 400112340 /nfs/dbraw/zinc/11/23/40/400112340.db2.gz XNXOETFADNQBAO-YOEHRIQHSA-N 2 2 310.869 3.083 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C(C)C)cc1 ZINC000091375347 400115293 /nfs/dbraw/zinc/11/52/93/400115293.db2.gz XHBFVACLGIVEDW-APWZRJJASA-N 2 2 320.477 3.093 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000090846646 400079174 /nfs/dbraw/zinc/07/91/74/400079174.db2.gz WZLPAYARFSERFO-AWEZNQCLSA-N 2 2 300.402 3.301 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000067120943 400146697 /nfs/dbraw/zinc/14/66/97/400146697.db2.gz QDBLPDHKNROHQV-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000316644704 400151284 /nfs/dbraw/zinc/15/12/84/400151284.db2.gz PIOOCRCFLHBGMD-HNNXBMFYSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000316644704 400151290 /nfs/dbraw/zinc/15/12/90/400151290.db2.gz PIOOCRCFLHBGMD-HNNXBMFYSA-N 2 2 305.397 3.286 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092071464 400151433 /nfs/dbraw/zinc/15/14/33/400151433.db2.gz WOQXYNLIUUACEP-OAHLLOKOSA-N 2 2 301.438 3.013 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092071464 400151435 /nfs/dbraw/zinc/15/14/35/400151435.db2.gz WOQXYNLIUUACEP-OAHLLOKOSA-N 2 2 301.438 3.013 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000092072345 400154588 /nfs/dbraw/zinc/15/45/88/400154588.db2.gz QLVMFOJTRALTOE-OAHLLOKOSA-N 2 2 315.417 3.197 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000092072345 400154591 /nfs/dbraw/zinc/15/45/91/400154591.db2.gz QLVMFOJTRALTOE-OAHLLOKOSA-N 2 2 315.417 3.197 20 0 DGADLP CC(C)(C)OC(=O)CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000595717988 400241286 /nfs/dbraw/zinc/24/12/86/400241286.db2.gz JRBITTFXUGQGBW-UHFFFAOYSA-N 2 2 321.465 3.107 20 0 DGADLP COc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1SC ZINC000068826504 400293521 /nfs/dbraw/zinc/29/35/21/400293521.db2.gz JASFDCXPOUQGHL-UHFFFAOYSA-N 2 2 320.502 3.477 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589637806 400312652 /nfs/dbraw/zinc/31/26/52/400312652.db2.gz CAIXFBMYBCXWFH-UHFFFAOYSA-N 2 2 319.412 3.021 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCCC(=O)OC(C)(C)C)n2c1 ZINC000611346422 400382698 /nfs/dbraw/zinc/38/26/98/400382698.db2.gz DFRWOLSEOSZFBW-UHFFFAOYSA-N 2 2 317.433 3.244 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000044530671 400495102 /nfs/dbraw/zinc/49/51/02/400495102.db2.gz LZCYQEKACZMUQR-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000044530671 400495104 /nfs/dbraw/zinc/49/51/04/400495104.db2.gz LZCYQEKACZMUQR-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129097975 400521677 /nfs/dbraw/zinc/52/16/77/400521677.db2.gz MZZUGDNQDDPQDE-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129097975 400521678 /nfs/dbraw/zinc/52/16/78/400521678.db2.gz MZZUGDNQDDPQDE-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591869294 400568367 /nfs/dbraw/zinc/56/83/67/400568367.db2.gz OTNZBDDVIIAMBB-CQSZACIVSA-N 2 2 307.344 3.322 20 0 DGADLP Cc1cccc(N2CC[NH+](CCCNc3cccc[nH+]3)CC2)c1 ZINC000076679593 400667695 /nfs/dbraw/zinc/66/76/95/400667695.db2.gz KZIUVMIUAYEMQD-UHFFFAOYSA-N 2 2 310.445 3.014 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152374767 400679279 /nfs/dbraw/zinc/67/92/79/400679279.db2.gz KJWPZDQIBKODIV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152374767 400679286 /nfs/dbraw/zinc/67/92/86/400679286.db2.gz KJWPZDQIBKODIV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152374767 400679289 /nfs/dbraw/zinc/67/92/89/400679289.db2.gz KJWPZDQIBKODIV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152374767 400679293 /nfs/dbraw/zinc/67/92/93/400679293.db2.gz KJWPZDQIBKODIV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[C@@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000152765945 400682932 /nfs/dbraw/zinc/68/29/32/400682932.db2.gz XCSUCQRVJWXCIO-IBGZPJMESA-N 2 2 313.445 3.293 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000052208594 400722824 /nfs/dbraw/zinc/72/28/24/400722824.db2.gz VWIAEOCGQIUJBL-UHFFFAOYSA-N 2 2 308.470 3.137 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000052208594 400722828 /nfs/dbraw/zinc/72/28/28/400722828.db2.gz VWIAEOCGQIUJBL-UHFFFAOYSA-N 2 2 308.470 3.137 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C3CCCCC3)c2cc1C ZINC000051086120 400695016 /nfs/dbraw/zinc/69/50/16/400695016.db2.gz YYNHLUKEOSESTJ-KRWDZBQOSA-N 2 2 315.461 3.279 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C3CCCCC3)c2cc1C ZINC000051086120 400695021 /nfs/dbraw/zinc/69/50/21/400695021.db2.gz YYNHLUKEOSESTJ-KRWDZBQOSA-N 2 2 315.461 3.279 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000603517333 400697137 /nfs/dbraw/zinc/69/71/37/400697137.db2.gz PQAWZSRGHVXFLH-FHLIZLRMSA-N 2 2 318.461 3.136 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155024549 400699471 /nfs/dbraw/zinc/69/94/71/400699471.db2.gz BWVVDCHHGHRBBI-APWZRJJASA-N 2 2 320.452 3.321 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155024549 400699474 /nfs/dbraw/zinc/69/94/74/400699474.db2.gz BWVVDCHHGHRBBI-APWZRJJASA-N 2 2 320.452 3.321 20 0 DGADLP CCC1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051451804 400702974 /nfs/dbraw/zinc/70/29/74/400702974.db2.gz RMGBQRZRWNDGMO-QGZVFWFLSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cccn2cc(CN3CCC([NH+]4CCCCC4)CC3)[nH+]c12 ZINC000052004245 400713714 /nfs/dbraw/zinc/71/37/14/400713714.db2.gz GAXGWBVYRNZUAO-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000078599913 400814178 /nfs/dbraw/zinc/81/41/78/400814178.db2.gz JRPFZAHNSBWIOX-KRWDZBQOSA-N 2 2 311.385 3.297 20 0 DGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000078599913 400814184 /nfs/dbraw/zinc/81/41/84/400814184.db2.gz JRPFZAHNSBWIOX-KRWDZBQOSA-N 2 2 311.385 3.297 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cc(C(=O)OC)co1)C1CCCCC1 ZINC000593660506 400887992 /nfs/dbraw/zinc/88/79/92/400887992.db2.gz HVWSVEMYPLOXKU-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cc(C(=O)OC)co1)C1CCCCC1 ZINC000593660506 400887996 /nfs/dbraw/zinc/88/79/96/400887996.db2.gz HVWSVEMYPLOXKU-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cccc(OCc2ccccc2F)c1 ZINC000629654636 401019407 /nfs/dbraw/zinc/01/94/07/401019407.db2.gz OFTGGEAYNWQZLF-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cccc(OCc2ccccc2F)c1 ZINC000629654636 401019416 /nfs/dbraw/zinc/01/94/16/401019416.db2.gz OFTGGEAYNWQZLF-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000629655703 401020212 /nfs/dbraw/zinc/02/02/12/401020212.db2.gz YBCQFDJPHHWKIU-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000629655703 401020218 /nfs/dbraw/zinc/02/02/18/401020218.db2.gz YBCQFDJPHHWKIU-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP Fc1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958933 401007530 /nfs/dbraw/zinc/00/75/30/401007530.db2.gz IIRCOCOCHPSAPH-CQSZACIVSA-N 2 2 303.381 3.197 20 0 DGADLP Fc1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958933 401007535 /nfs/dbraw/zinc/00/75/35/401007535.db2.gz IIRCOCOCHPSAPH-CQSZACIVSA-N 2 2 303.381 3.197 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000080959692 401008273 /nfs/dbraw/zinc/00/82/73/401008273.db2.gz RRTODPPRUQYUOG-CQSZACIVSA-N 2 2 310.376 3.477 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000080959692 401008279 /nfs/dbraw/zinc/00/82/79/401008279.db2.gz RRTODPPRUQYUOG-CQSZACIVSA-N 2 2 310.376 3.477 20 0 DGADLP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974454 401011876 /nfs/dbraw/zinc/01/18/76/401011876.db2.gz JBAHDESPAHXFCJ-OAHLLOKOSA-N 2 2 323.400 3.148 20 0 DGADLP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974454 401011881 /nfs/dbraw/zinc/01/18/81/401011881.db2.gz JBAHDESPAHXFCJ-OAHLLOKOSA-N 2 2 323.400 3.148 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@@H]1C(F)(F)F ZINC000629559233 400974707 /nfs/dbraw/zinc/97/47/07/400974707.db2.gz AKWQSRNITPWYPP-SCZZXKLOSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@@H]1C(F)(F)F ZINC000629559233 400974711 /nfs/dbraw/zinc/97/47/11/400974711.db2.gz AKWQSRNITPWYPP-SCZZXKLOSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563190 400977604 /nfs/dbraw/zinc/97/76/04/400977604.db2.gz FXYACVZLBVCEON-NWDGAFQWSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563190 400977607 /nfs/dbraw/zinc/97/76/07/400977607.db2.gz FXYACVZLBVCEON-NWDGAFQWSA-N 2 2 306.759 3.299 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629568151 400979511 /nfs/dbraw/zinc/97/95/11/400979511.db2.gz RTVWJSYMUIWHAT-TZMCWYRMSA-N 2 2 318.408 3.368 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629568151 400979518 /nfs/dbraw/zinc/97/95/18/400979518.db2.gz RTVWJSYMUIWHAT-TZMCWYRMSA-N 2 2 318.408 3.368 20 0 DGADLP CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000599499753 401060321 /nfs/dbraw/zinc/06/03/21/401060321.db2.gz LODHAMSFKNGNRU-SFHVURJKSA-N 2 2 310.482 3.059 20 0 DGADLP CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000599499753 401060328 /nfs/dbraw/zinc/06/03/28/401060328.db2.gz LODHAMSFKNGNRU-SFHVURJKSA-N 2 2 310.482 3.059 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cscc2Cl)CC[C@@H]1C(F)(F)F ZINC000629657409 401023012 /nfs/dbraw/zinc/02/30/12/401023012.db2.gz XNFIPSFEGGGEES-SCZZXKLOSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cscc2Cl)CC[C@@H]1C(F)(F)F ZINC000629657409 401023018 /nfs/dbraw/zinc/02/30/18/401023018.db2.gz XNFIPSFEGGGEES-SCZZXKLOSA-N 2 2 312.788 3.361 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)n2c1 ZINC000594622955 401139160 /nfs/dbraw/zinc/13/91/60/401139160.db2.gz KNHOBKYKYPXBJF-MRXNPFEDSA-N 2 2 317.433 3.099 20 0 DGADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258251 286013347 /nfs/dbraw/zinc/01/33/47/286013347.db2.gz SOUFGRGSVUVRLV-LSDHHAIUSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258251 286013348 /nfs/dbraw/zinc/01/33/48/286013348.db2.gz SOUFGRGSVUVRLV-LSDHHAIUSA-N 2 2 317.260 3.101 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000358288886 286021488 /nfs/dbraw/zinc/02/14/88/286021488.db2.gz BZZAJIILJHCYHW-OLMNPRSZSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000358288886 286021490 /nfs/dbraw/zinc/02/14/90/286021490.db2.gz BZZAJIILJHCYHW-OLMNPRSZSA-N 2 2 316.493 3.420 20 0 DGADLP CC(=O)Nc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000630073580 401177039 /nfs/dbraw/zinc/17/70/39/401177039.db2.gz VWDHXQLDCLWKCM-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc(C)c1F ZINC000090047131 401249483 /nfs/dbraw/zinc/24/94/83/401249483.db2.gz XIBLMCLCXAMDKX-HOTGVXAUSA-N 2 2 308.441 3.204 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000090046855 401249739 /nfs/dbraw/zinc/24/97/39/401249739.db2.gz FRXXTAAPRNYQCS-OLZOCXBDSA-N 2 2 314.832 3.241 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000090048153 401251546 /nfs/dbraw/zinc/25/15/46/401251546.db2.gz CZLUFLXGMADJOJ-BBRMVZONSA-N 2 2 324.465 3.063 20 0 DGADLP CC(C)c1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000090107505 401258552 /nfs/dbraw/zinc/25/85/52/401258552.db2.gz IZXBLQCGYSXRFO-ZBFHGGJFSA-N 2 2 304.482 3.500 20 0 DGADLP CC(C)c1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000090107505 401258555 /nfs/dbraw/zinc/25/85/55/401258555.db2.gz IZXBLQCGYSXRFO-ZBFHGGJFSA-N 2 2 304.482 3.500 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678354 401330915 /nfs/dbraw/zinc/33/09/15/401330915.db2.gz QDOAQQFPSBMCRF-ZWKOTPCHSA-N 2 2 304.478 3.399 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000634678539 401331921 /nfs/dbraw/zinc/33/19/21/401331921.db2.gz XLQQCEDOQZWDSE-ZWKOTPCHSA-N 2 2 302.462 3.371 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004523 401335214 /nfs/dbraw/zinc/33/52/14/401335214.db2.gz PUZFQDCKYMJYDO-YLJYHZDGSA-N 2 2 322.456 3.163 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004523 401335216 /nfs/dbraw/zinc/33/52/16/401335216.db2.gz PUZFQDCKYMJYDO-YLJYHZDGSA-N 2 2 322.456 3.163 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OCC(C)C ZINC000622006002 401335445 /nfs/dbraw/zinc/33/54/45/401335445.db2.gz RLDVDYJZRWRWIR-VQIMIIECSA-N 2 2 318.461 3.043 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OCC(C)C ZINC000622006002 401335450 /nfs/dbraw/zinc/33/54/50/401335450.db2.gz RLDVDYJZRWRWIR-VQIMIIECSA-N 2 2 318.461 3.043 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000634732964 401341415 /nfs/dbraw/zinc/34/14/15/401341415.db2.gz SMSATUCQIHCSJB-CYBMUJFWSA-N 2 2 316.474 3.073 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000358385097 286047675 /nfs/dbraw/zinc/04/76/75/286047675.db2.gz QZYDTBZULYIWCL-LJQANCHMSA-N 2 2 324.472 3.056 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000358385097 286047676 /nfs/dbraw/zinc/04/76/76/286047676.db2.gz QZYDTBZULYIWCL-LJQANCHMSA-N 2 2 324.472 3.056 20 0 DGADLP Cc1ccc([C@H](C[NH2+]Cc2ccc3nccnc3c2)[NH+](C)C)cc1 ZINC000634957544 401388607 /nfs/dbraw/zinc/38/86/07/401388607.db2.gz QFRKZWQGMZUNSC-FQEVSTJZSA-N 2 2 320.440 3.331 20 0 DGADLP C[NH+](C)CC1(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)CC1 ZINC000635159264 401416300 /nfs/dbraw/zinc/41/63/00/401416300.db2.gz HVCLOICBERWHPL-UHFFFAOYSA-N 2 2 314.433 3.141 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)[C@@H]1CC2CCC1CC2 ZINC000623015181 401454051 /nfs/dbraw/zinc/45/40/51/401454051.db2.gz LCFAGGQKPBGVER-ROAOWZMDSA-N 2 2 317.477 3.445 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000623089395 401463657 /nfs/dbraw/zinc/46/36/57/401463657.db2.gz GBEGCFCWWGARGE-UHFFFAOYSA-N 2 2 308.416 3.242 20 0 DGADLP CC(C)C[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)n1cc[nH+]c1 ZINC000635634535 401465661 /nfs/dbraw/zinc/46/56/61/401465661.db2.gz ATDFVYKYXWZXJC-KRWDZBQOSA-N 2 2 322.497 3.095 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1OC ZINC000631567275 401499361 /nfs/dbraw/zinc/49/93/61/401499361.db2.gz XLDJYBWSSOITIE-DZGCQCFKSA-N 2 2 303.406 3.030 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000631654951 401525714 /nfs/dbraw/zinc/52/57/14/401525714.db2.gz SKTQWOVDBADWSZ-XKDXWZMYSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000631654951 401525719 /nfs/dbraw/zinc/52/57/19/401525719.db2.gz SKTQWOVDBADWSZ-XKDXWZMYSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000631654950 401525793 /nfs/dbraw/zinc/52/57/93/401525793.db2.gz SKTQWOVDBADWSZ-LSZYVWPRSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000631654950 401525796 /nfs/dbraw/zinc/52/57/96/401525796.db2.gz SKTQWOVDBADWSZ-LSZYVWPRSA-N 2 2 320.864 3.242 20 0 DGADLP CC[N@H+](CCC1CCN(c2cc(C)[nH+]cn2)CC1)CC(C)C ZINC000358457134 286067862 /nfs/dbraw/zinc/06/78/62/286067862.db2.gz LAZVLZPZJYVKMH-UHFFFAOYSA-N 2 2 304.482 3.369 20 0 DGADLP CC[N@@H+](CCC1CCN(c2cc(C)[nH+]cn2)CC1)CC(C)C ZINC000358457134 286067864 /nfs/dbraw/zinc/06/78/64/286067864.db2.gz LAZVLZPZJYVKMH-UHFFFAOYSA-N 2 2 304.482 3.369 20 0 DGADLP CC[NH+](CC)CCN(Cc1[nH]cc(C)[nH+]1)Cc1ccccc1 ZINC000628156700 401537424 /nfs/dbraw/zinc/53/74/24/401537424.db2.gz ZKPYBADWEWIJOI-UHFFFAOYSA-N 2 2 300.450 3.062 20 0 DGADLP Cn1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nc2ccc(Cl)cc21 ZINC000623657203 401563300 /nfs/dbraw/zinc/56/33/00/401563300.db2.gz LCEYOKQRBXJGDZ-ZDUSSCGKSA-N 2 2 320.868 3.048 20 0 DGADLP Cn1c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nc2ccc(Cl)cc21 ZINC000623657203 401563302 /nfs/dbraw/zinc/56/33/02/401563302.db2.gz LCEYOKQRBXJGDZ-ZDUSSCGKSA-N 2 2 320.868 3.048 20 0 DGADLP Cn1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nc2cc(Cl)ccc21 ZINC000623657297 401563779 /nfs/dbraw/zinc/56/37/79/401563779.db2.gz MYCSIBWOMISJMM-ZDUSSCGKSA-N 2 2 320.868 3.048 20 0 DGADLP Cn1c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nc2cc(Cl)ccc21 ZINC000623657297 401563783 /nfs/dbraw/zinc/56/37/83/401563783.db2.gz MYCSIBWOMISJMM-ZDUSSCGKSA-N 2 2 320.868 3.048 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc2n[nH]cc21 ZINC000628275863 401565682 /nfs/dbraw/zinc/56/56/82/401565682.db2.gz HKXYHXOWXVAXLU-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc2n[nH]cc21 ZINC000628275863 401565686 /nfs/dbraw/zinc/56/56/86/401565686.db2.gz HKXYHXOWXVAXLU-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cccc2n[nH]cc21)Cc1ccco1 ZINC000628275863 401565687 /nfs/dbraw/zinc/56/56/87/401565687.db2.gz HKXYHXOWXVAXLU-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cccc2n[nH]cc21)Cc1ccco1 ZINC000628275863 401565691 /nfs/dbraw/zinc/56/56/91/401565691.db2.gz HKXYHXOWXVAXLU-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358469202 286070688 /nfs/dbraw/zinc/07/06/88/286070688.db2.gz OQXJYGQZFPZJCM-INIZCTEOSA-N 2 2 318.852 3.332 20 0 DGADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1cc(C)ccc1C ZINC000623894355 401595446 /nfs/dbraw/zinc/59/54/46/401595446.db2.gz PUXZRWNPMGVXIQ-GOSISDBHSA-N 2 2 304.478 3.455 20 0 DGADLP Cc1cn2ccc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)cc2[nH+]1 ZINC000636245490 401546611 /nfs/dbraw/zinc/54/66/11/401546611.db2.gz VCIBFMYXKMHVAU-OAHLLOKOSA-N 2 2 311.389 3.065 20 0 DGADLP Cc1c[nH]c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190445 401546934 /nfs/dbraw/zinc/54/69/34/401546934.db2.gz GJPCEVRJGBGALX-OALUTQOASA-N 2 2 324.472 3.205 20 0 DGADLP Cc1c[nH]c(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190445 401546936 /nfs/dbraw/zinc/54/69/36/401546936.db2.gz GJPCEVRJGBGALX-OALUTQOASA-N 2 2 324.472 3.205 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cnc2ccccc2n1)C(C)(C)C ZINC000628215616 401552060 /nfs/dbraw/zinc/55/20/60/401552060.db2.gz OGXDOBLEOYGXOD-KRWDZBQOSA-N 2 2 300.450 3.086 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624109032 401627289 /nfs/dbraw/zinc/62/72/89/401627289.db2.gz LIRRLXHYUWGZOT-DOTOQJQBSA-N 2 2 301.434 3.320 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000624256342 401644428 /nfs/dbraw/zinc/64/44/28/401644428.db2.gz NWUZRWWQOOIBQA-KRWDZBQOSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N(C)CCc3[nH]c4ccccc4[nH+]3)c2c1C ZINC000624318082 401650091 /nfs/dbraw/zinc/65/00/91/401650091.db2.gz FUZBAEIXHYYPKC-UHFFFAOYSA-N 2 2 320.400 3.130 20 0 DGADLP COCC(C)(C)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000430216502 292199216 /nfs/dbraw/zinc/19/92/16/292199216.db2.gz IRGHSIVMXAUMOY-WMZOPIPTSA-N 2 2 304.478 3.159 20 0 DGADLP COCC(C)(C)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000430216502 292199217 /nfs/dbraw/zinc/19/92/17/292199217.db2.gz IRGHSIVMXAUMOY-WMZOPIPTSA-N 2 2 304.478 3.159 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC000629396334 401683959 /nfs/dbraw/zinc/68/39/59/401683959.db2.gz KPWSMLCOCGFFNP-KDOFPFPSSA-N 2 2 321.896 3.035 20 0 DGADLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000358721680 286132912 /nfs/dbraw/zinc/13/29/12/286132912.db2.gz XTULAVDYDSNVCC-GOSISDBHSA-N 2 2 322.880 3.055 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358912957 286185486 /nfs/dbraw/zinc/18/54/86/286185486.db2.gz GDNQCLIGEHGSMN-MRXNPFEDSA-N 2 2 323.444 3.136 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(c2cc[nH+]cc2C)C3)cc1 ZINC000358917846 286186819 /nfs/dbraw/zinc/18/68/19/286186819.db2.gz WZMXFASDDVDFCW-UHFFFAOYSA-N 2 2 304.397 3.447 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000358925483 286189052 /nfs/dbraw/zinc/18/90/52/286189052.db2.gz FDBTZOCGXSTPOR-AZUAARDMSA-N 2 2 324.472 3.224 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@@H+]1C ZINC000358979045 286204480 /nfs/dbraw/zinc/20/44/80/286204480.db2.gz FZQJEJPSHAUTGL-LZQZEXGQSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@H+]1C ZINC000358979045 286204483 /nfs/dbraw/zinc/20/44/83/286204483.db2.gz FZQJEJPSHAUTGL-LZQZEXGQSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@@H+]1C ZINC000358979046 286204547 /nfs/dbraw/zinc/20/45/47/286204547.db2.gz FZQJEJPSHAUTGL-MNEFBYGVSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@H+]1C ZINC000358979046 286204548 /nfs/dbraw/zinc/20/45/48/286204548.db2.gz FZQJEJPSHAUTGL-MNEFBYGVSA-N 2 2 324.472 3.322 20 0 DGADLP COC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000358999839 286211001 /nfs/dbraw/zinc/21/10/01/286211001.db2.gz WQRSQOMIAHUFMA-UHFFFAOYSA-N 2 2 317.408 3.450 20 0 DGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1c[nH+]c2cccc(C)n12 ZINC000359052408 286224881 /nfs/dbraw/zinc/22/48/81/286224881.db2.gz HXVFXTGZYVLHHB-UHFFFAOYSA-N 2 2 319.412 3.355 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359310509 286280655 /nfs/dbraw/zinc/28/06/55/286280655.db2.gz JTUWKHMXXLPFKA-AHRSYUTCSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000359310509 286280657 /nfs/dbraw/zinc/28/06/57/286280657.db2.gz JTUWKHMXXLPFKA-AHRSYUTCSA-N 2 2 316.489 3.226 20 0 DGADLP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000359311763 286280781 /nfs/dbraw/zinc/28/07/81/286280781.db2.gz MZJYMCLHMOGFCZ-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP [NH3+]CCC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000359455800 286312129 /nfs/dbraw/zinc/31/21/29/286312129.db2.gz FLZUKLLSTJYIRT-UHFFFAOYSA-N 2 2 320.440 3.428 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000359455800 286312131 /nfs/dbraw/zinc/31/21/31/286312131.db2.gz FLZUKLLSTJYIRT-UHFFFAOYSA-N 2 2 320.440 3.428 20 0 DGADLP [NH3+]CCC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000359455800 286312134 /nfs/dbraw/zinc/31/21/34/286312134.db2.gz FLZUKLLSTJYIRT-UHFFFAOYSA-N 2 2 320.440 3.428 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000359455800 286312136 /nfs/dbraw/zinc/31/21/36/286312136.db2.gz FLZUKLLSTJYIRT-UHFFFAOYSA-N 2 2 320.440 3.428 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cn1)CCC2 ZINC000359626605 286349994 /nfs/dbraw/zinc/34/99/94/286349994.db2.gz AGIXYJPAXXKOFT-CHWSQXEVSA-N 2 2 304.825 3.468 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)C[C@@H](C)O1 ZINC000359663829 286356567 /nfs/dbraw/zinc/35/65/67/286356567.db2.gz OGCLOIQRMBXBAV-BFYDXBDKSA-N 2 2 320.477 3.382 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000360042589 286413249 /nfs/dbraw/zinc/41/32/49/286413249.db2.gz XKWVOQNIYGCOHR-QZTJIDSGSA-N 2 2 322.880 3.462 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000361095351 286596683 /nfs/dbraw/zinc/59/66/83/286596683.db2.gz JGWZXTMAXPJYJY-KRWDZBQOSA-N 2 2 311.429 3.135 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000361290643 286644465 /nfs/dbraw/zinc/64/44/65/286644465.db2.gz SSZGWJXGUKVVTB-UHFFFAOYSA-N 2 2 322.321 3.471 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(O)cc(F)c3)C2)CC1 ZINC000186198890 165032317 /nfs/dbraw/zinc/03/23/17/165032317.db2.gz GCQYSHCLEIOGCH-INIZCTEOSA-N 2 2 320.452 3.475 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(O)cc(F)c3)C2)CC1 ZINC000186198890 165032319 /nfs/dbraw/zinc/03/23/19/165032319.db2.gz GCQYSHCLEIOGCH-INIZCTEOSA-N 2 2 320.452 3.475 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@H](C)C3)c2cc1C ZINC000187954485 165106947 /nfs/dbraw/zinc/10/69/47/165106947.db2.gz JIWSLBIBAKLQAT-YOEHRIQHSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@H](C)C3)c2cc1C ZINC000187954485 165106950 /nfs/dbraw/zinc/10/69/50/165106950.db2.gz JIWSLBIBAKLQAT-YOEHRIQHSA-N 2 2 315.461 3.136 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520337 165257053 /nfs/dbraw/zinc/25/70/53/165257053.db2.gz KQWFZVOMJNSFDZ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520337 165257060 /nfs/dbraw/zinc/25/70/60/165257060.db2.gz KQWFZVOMJNSFDZ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CC)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191520337 165257064 /nfs/dbraw/zinc/25/70/64/165257064.db2.gz KQWFZVOMJNSFDZ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CC)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191520337 165257071 /nfs/dbraw/zinc/25/70/71/165257071.db2.gz KQWFZVOMJNSFDZ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000193124595 165318262 /nfs/dbraw/zinc/31/82/62/165318262.db2.gz NQPCSSGCVFQWEG-QAPCUYQASA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000193560036 165329054 /nfs/dbraw/zinc/32/90/54/165329054.db2.gz WWWNHSUXSKEKQC-RCBQFDQVSA-N 2 2 303.450 3.038 20 0 DGADLP COC[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000365250655 287114067 /nfs/dbraw/zinc/11/40/67/287114067.db2.gz ALJXYAJWSGECES-QGZVFWFLSA-N 2 2 313.445 3.429 20 0 DGADLP COC[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000365250655 287114069 /nfs/dbraw/zinc/11/40/69/287114069.db2.gz ALJXYAJWSGECES-QGZVFWFLSA-N 2 2 313.445 3.429 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000365256852 287114977 /nfs/dbraw/zinc/11/49/77/287114977.db2.gz PFTQEWWRIDQTIF-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000365256852 287114980 /nfs/dbraw/zinc/11/49/80/287114980.db2.gz PFTQEWWRIDQTIF-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000225249191 165381082 /nfs/dbraw/zinc/38/10/82/165381082.db2.gz KSICDOKJKLITFQ-UHFFFAOYSA-N 2 2 300.368 3.316 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000230676409 165398790 /nfs/dbraw/zinc/39/87/90/165398790.db2.gz LAAZBPNHKXMLDA-YPMHNXCESA-N 2 2 302.340 3.158 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000230676409 165398792 /nfs/dbraw/zinc/39/87/92/165398792.db2.gz LAAZBPNHKXMLDA-YPMHNXCESA-N 2 2 302.340 3.158 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000365277145 287116891 /nfs/dbraw/zinc/11/68/91/287116891.db2.gz SWVBJEIGYFHEHC-KRWDZBQOSA-N 2 2 307.401 3.241 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000365277145 287116893 /nfs/dbraw/zinc/11/68/93/287116893.db2.gz SWVBJEIGYFHEHC-KRWDZBQOSA-N 2 2 307.401 3.241 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000365550455 287144957 /nfs/dbraw/zinc/14/49/57/287144957.db2.gz GYRMQPLKBJRHBY-CYBMUJFWSA-N 2 2 310.376 3.491 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000365656909 287159101 /nfs/dbraw/zinc/15/91/01/287159101.db2.gz KFXDZGJOJRKQJW-UHFFFAOYSA-N 2 2 319.412 3.062 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000365656909 287159102 /nfs/dbraw/zinc/15/91/02/287159102.db2.gz KFXDZGJOJRKQJW-UHFFFAOYSA-N 2 2 319.412 3.062 20 0 DGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365676913 287161678 /nfs/dbraw/zinc/16/16/78/287161678.db2.gz KNCKJAUWNQRLSE-DZGCQCFKSA-N 2 2 309.369 3.437 20 0 DGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365676913 287161679 /nfs/dbraw/zinc/16/16/79/287161679.db2.gz KNCKJAUWNQRLSE-DZGCQCFKSA-N 2 2 309.369 3.437 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000365870089 287182535 /nfs/dbraw/zinc/18/25/35/287182535.db2.gz GGNUSWOETVPNJD-JQHSSLGASA-N 2 2 313.445 3.435 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161832 196024262 /nfs/dbraw/zinc/02/42/62/196024262.db2.gz HQOYXRGCXXMPSQ-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161832 196024263 /nfs/dbraw/zinc/02/42/63/196024263.db2.gz HQOYXRGCXXMPSQ-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161832 196024264 /nfs/dbraw/zinc/02/42/64/196024264.db2.gz HQOYXRGCXXMPSQ-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161832 196024265 /nfs/dbraw/zinc/02/42/65/196024265.db2.gz HQOYXRGCXXMPSQ-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226013 432167677 /nfs/dbraw/zinc/16/76/77/432167677.db2.gz WQYITMRFEBLMGF-NVXWUHKLSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000182226013 432167679 /nfs/dbraw/zinc/16/76/79/432167679.db2.gz WQYITMRFEBLMGF-NVXWUHKLSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000182226013 432167682 /nfs/dbraw/zinc/16/76/82/432167682.db2.gz WQYITMRFEBLMGF-NVXWUHKLSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182226013 432167683 /nfs/dbraw/zinc/16/76/83/432167683.db2.gz WQYITMRFEBLMGF-NVXWUHKLSA-N 2 2 322.493 3.057 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890774 432178317 /nfs/dbraw/zinc/17/83/17/432178317.db2.gz BLRJOIAENLWSJL-WMZOPIPTSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890774 432178321 /nfs/dbraw/zinc/17/83/21/432178321.db2.gz BLRJOIAENLWSJL-WMZOPIPTSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890774 432178324 /nfs/dbraw/zinc/17/83/24/432178324.db2.gz BLRJOIAENLWSJL-WMZOPIPTSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890774 432178327 /nfs/dbraw/zinc/17/83/27/432178327.db2.gz BLRJOIAENLWSJL-WMZOPIPTSA-N 2 2 313.445 3.468 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@@H](C)C1 ZINC000246864698 432174449 /nfs/dbraw/zinc/17/44/49/432174449.db2.gz DEIUAULZDCKOJU-JSGCOSHPSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@@H](C)C1 ZINC000246864698 432174453 /nfs/dbraw/zinc/17/44/53/432174453.db2.gz DEIUAULZDCKOJU-JSGCOSHPSA-N 2 2 305.447 3.223 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000130781755 196109426 /nfs/dbraw/zinc/10/94/26/196109426.db2.gz RDIKNTFJQJIBFJ-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000130781755 196109429 /nfs/dbraw/zinc/10/94/29/196109429.db2.gz RDIKNTFJQJIBFJ-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247170381 432209291 /nfs/dbraw/zinc/20/92/91/432209291.db2.gz SMPXVHCSXNFUKZ-GOEBONIOSA-N 2 2 307.507 3.023 20 0 DGADLP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247170381 432209294 /nfs/dbraw/zinc/20/92/94/432209294.db2.gz SMPXVHCSXNFUKZ-GOEBONIOSA-N 2 2 307.507 3.023 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000247250870 432214923 /nfs/dbraw/zinc/21/49/23/432214923.db2.gz YICNXKBXIRQWCY-PFRQMTDMSA-N 2 2 324.472 3.284 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000247250870 432214927 /nfs/dbraw/zinc/21/49/27/432214927.db2.gz YICNXKBXIRQWCY-PFRQMTDMSA-N 2 2 324.472 3.284 20 0 DGADLP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCCn1cc[nH+]c1 ZINC000182744467 432224871 /nfs/dbraw/zinc/22/48/71/432224871.db2.gz LLLCRTKCDMHODK-UHFFFAOYSA-N 2 2 323.444 3.228 20 0 DGADLP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCCn1cc[nH+]c1 ZINC000182744467 432224874 /nfs/dbraw/zinc/22/48/74/432224874.db2.gz LLLCRTKCDMHODK-UHFFFAOYSA-N 2 2 323.444 3.228 20 0 DGADLP Fc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247303225 432220477 /nfs/dbraw/zinc/22/04/77/432220477.db2.gz ZTPWWUJSTURRIT-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247303225 432220481 /nfs/dbraw/zinc/22/04/81/432220481.db2.gz ZTPWWUJSTURRIT-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247303225 432220483 /nfs/dbraw/zinc/22/04/83/432220483.db2.gz ZTPWWUJSTURRIT-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247303225 432220486 /nfs/dbraw/zinc/22/04/86/432220486.db2.gz ZTPWWUJSTURRIT-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614031 196184466 /nfs/dbraw/zinc/18/44/66/196184466.db2.gz ZKFGATZQFQHDSG-CABCVRRESA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614031 196184467 /nfs/dbraw/zinc/18/44/67/196184467.db2.gz ZKFGATZQFQHDSG-CABCVRRESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614031 196184469 /nfs/dbraw/zinc/18/44/69/196184469.db2.gz ZKFGATZQFQHDSG-CABCVRRESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614031 196184471 /nfs/dbraw/zinc/18/44/71/196184471.db2.gz ZKFGATZQFQHDSG-CABCVRRESA-N 2 2 308.853 3.277 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673220 196190064 /nfs/dbraw/zinc/19/00/64/196190064.db2.gz HFFIRCKRRJNWMT-VXGBXAGGSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673220 196190066 /nfs/dbraw/zinc/19/00/66/196190066.db2.gz HFFIRCKRRJNWMT-VXGBXAGGSA-N 2 2 305.809 3.164 20 0 DGADLP Cc1cc(Nc2cccc(C[NH+]3CCSCC3)c2)nc(C)[nH+]1 ZINC000132366761 196250137 /nfs/dbraw/zinc/25/01/37/196250137.db2.gz WBUBSVCWYJFJMY-UHFFFAOYSA-N 2 2 314.458 3.386 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132579887 196267405 /nfs/dbraw/zinc/26/74/05/196267405.db2.gz MFNQEJAGXWVVNH-BBRMVZONSA-N 2 2 319.499 3.372 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000132791391 196284458 /nfs/dbraw/zinc/28/44/58/196284458.db2.gz QVJWLBGVAFGZPC-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000132791391 196284460 /nfs/dbraw/zinc/28/44/60/196284460.db2.gz QVJWLBGVAFGZPC-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000132804791 196284734 /nfs/dbraw/zinc/28/47/34/196284734.db2.gz LNDLUEWZSNHDLF-VQIMIIECSA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000132804791 196284736 /nfs/dbraw/zinc/28/47/36/196284736.db2.gz LNDLUEWZSNHDLF-VQIMIIECSA-N 2 2 312.461 3.218 20 0 DGADLP CC[C@H](COC)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000132961415 196300295 /nfs/dbraw/zinc/30/02/95/196300295.db2.gz NRXPPDNUCZOGOC-OAHLLOKOSA-N 2 2 305.466 3.054 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000154526050 227101172 /nfs/dbraw/zinc/10/11/72/227101172.db2.gz SXIZMVMNZRYGIR-ZYHUDNBSSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000154526050 227101177 /nfs/dbraw/zinc/10/11/77/227101177.db2.gz SXIZMVMNZRYGIR-ZYHUDNBSSA-N 2 2 315.230 3.333 20 0 DGADLP c1ccc(N2CCC([NH2+]C3CCC4(CCCO4)CC3)CC2)[nH+]c1 ZINC000682641019 549348321 /nfs/dbraw/zinc/34/83/21/549348321.db2.gz XGIHTGJVERDKLO-UHFFFAOYSA-N 2 2 315.461 3.132 20 0 DGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ncccc2C(F)(F)F)CC1 ZINC000682671505 549352869 /nfs/dbraw/zinc/35/28/69/549352869.db2.gz SRJYPXLJOSAZKD-UHFFFAOYSA-N 2 2 313.367 3.161 20 0 DGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ncccc2C(F)(F)F)CC1 ZINC000682671505 549352865 /nfs/dbraw/zinc/35/28/65/549352865.db2.gz SRJYPXLJOSAZKD-UHFFFAOYSA-N 2 2 313.367 3.161 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000346298048 264005080 /nfs/dbraw/zinc/00/50/80/264005080.db2.gz AIKMACHWJQZAID-QGZVFWFLSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000346298048 264005082 /nfs/dbraw/zinc/00/50/82/264005082.db2.gz AIKMACHWJQZAID-QGZVFWFLSA-N 3 2 318.509 3.168 20 0 DGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000346313431 264008080 /nfs/dbraw/zinc/00/80/80/264008080.db2.gz QLBLNAHFBPFPOA-SJORKVTESA-N 2 2 305.466 3.333 20 0 DGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000346313431 264008082 /nfs/dbraw/zinc/00/80/82/264008082.db2.gz QLBLNAHFBPFPOA-SJORKVTESA-N 2 2 305.466 3.333 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000346453517 264034678 /nfs/dbraw/zinc/03/46/78/264034678.db2.gz HTFIGFORPOHWIA-LJQANCHMSA-N 2 2 314.429 3.452 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC[N@@H+]1C ZINC000346558797 264053799 /nfs/dbraw/zinc/05/37/99/264053799.db2.gz FZOSCIJRVRZUJM-LJHODMEESA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC[N@H+]1C ZINC000346558797 264053802 /nfs/dbraw/zinc/05/38/02/264053802.db2.gz FZOSCIJRVRZUJM-LJHODMEESA-N 2 2 313.420 3.382 20 0 DGADLP Cc1nn2c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(C(C)C)nc2s1 ZINC000346684520 264079786 /nfs/dbraw/zinc/07/97/86/264079786.db2.gz QBEBNLGQZCNJCM-CYBMUJFWSA-N 2 2 323.510 3.028 20 0 DGADLP Cc1nn2c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(C(C)C)nc2s1 ZINC000346684520 264079789 /nfs/dbraw/zinc/07/97/89/264079789.db2.gz QBEBNLGQZCNJCM-CYBMUJFWSA-N 2 2 323.510 3.028 20 0 DGADLP C[N@H+](Cc1c(Cl)cccc1N1CCCC1)CC(C)(C)C[NH3+] ZINC000346693095 264080681 /nfs/dbraw/zinc/08/06/81/264080681.db2.gz KSIMZOXKMCKNIJ-UHFFFAOYSA-N 2 2 309.885 3.357 20 0 DGADLP C[N@@H+](Cc1c(Cl)cccc1N1CCCC1)CC(C)(C)C[NH3+] ZINC000346693095 264080683 /nfs/dbraw/zinc/08/06/83/264080683.db2.gz KSIMZOXKMCKNIJ-UHFFFAOYSA-N 2 2 309.885 3.357 20 0 DGADLP Cc1[nH+]cc(CN(CC[NH3+])Cc2ccccc2)n1-c1ccccc1 ZINC000346832366 264105385 /nfs/dbraw/zinc/10/53/85/264105385.db2.gz ZPNHZCQGHCPCHR-UHFFFAOYSA-N 2 2 320.440 3.142 20 0 DGADLP CC(C)c1nc(N2CCC(C[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000346942312 264125254 /nfs/dbraw/zinc/12/52/54/264125254.db2.gz KJSCKUBBSMUAQF-UHFFFAOYSA-N 2 2 302.466 3.302 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347037002 264144528 /nfs/dbraw/zinc/14/45/28/264144528.db2.gz FKEPUUGZHZBMIU-VXGBXAGGSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347037002 264144530 /nfs/dbraw/zinc/14/45/30/264144530.db2.gz FKEPUUGZHZBMIU-VXGBXAGGSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347037001 264145373 /nfs/dbraw/zinc/14/53/73/264145373.db2.gz FKEPUUGZHZBMIU-RYUDHWBXSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347037001 264145375 /nfs/dbraw/zinc/14/53/75/264145375.db2.gz FKEPUUGZHZBMIU-RYUDHWBXSA-N 2 2 307.488 3.431 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064749 264150313 /nfs/dbraw/zinc/15/03/13/264150313.db2.gz XONIJDOEFNHSPE-CVEARBPZSA-N 2 2 305.466 3.012 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064749 264150315 /nfs/dbraw/zinc/15/03/15/264150315.db2.gz XONIJDOEFNHSPE-CVEARBPZSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064749 264150317 /nfs/dbraw/zinc/15/03/17/264150317.db2.gz XONIJDOEFNHSPE-CVEARBPZSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2OC)C[C@H]1C ZINC000347064749 264150319 /nfs/dbraw/zinc/15/03/19/264150319.db2.gz XONIJDOEFNHSPE-CVEARBPZSA-N 2 2 305.466 3.012 20 0 DGADLP c1nc(C2CCC2)sc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347100064 264156830 /nfs/dbraw/zinc/15/68/30/264156830.db2.gz KKHIIIAMGJZRDX-UHFFFAOYSA-N 2 2 305.491 3.375 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1OCC ZINC000347113974 264158839 /nfs/dbraw/zinc/15/88/39/264158839.db2.gz SWKWDRHHODQFHV-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1OCC ZINC000347113974 264158841 /nfs/dbraw/zinc/15/88/41/264158841.db2.gz SWKWDRHHODQFHV-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1OC ZINC000347166609 264167856 /nfs/dbraw/zinc/16/78/56/264167856.db2.gz KGKOIEBVRTXVAX-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347182074 264171381 /nfs/dbraw/zinc/17/13/81/264171381.db2.gz VXEQKNFZOSNANY-NSHDSACASA-N 2 2 307.850 3.244 20 0 DGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347182074 264171382 /nfs/dbraw/zinc/17/13/82/264171382.db2.gz VXEQKNFZOSNANY-NSHDSACASA-N 2 2 307.850 3.244 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187946 264172524 /nfs/dbraw/zinc/17/25/24/264172524.db2.gz CTNCRJNLDOOLEG-HKUYNNGSSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187946 264172525 /nfs/dbraw/zinc/17/25/25/264172525.db2.gz CTNCRJNLDOOLEG-HKUYNNGSSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347187946 264172526 /nfs/dbraw/zinc/17/25/26/264172526.db2.gz CTNCRJNLDOOLEG-HKUYNNGSSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187946 264172527 /nfs/dbraw/zinc/17/25/27/264172527.db2.gz CTNCRJNLDOOLEG-HKUYNNGSSA-N 3 2 317.521 3.204 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000347205559 264175507 /nfs/dbraw/zinc/17/55/07/264175507.db2.gz LTARGOFMBIRGLO-MRXNPFEDSA-N 2 2 306.450 3.056 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000347205559 264175509 /nfs/dbraw/zinc/17/55/09/264175509.db2.gz LTARGOFMBIRGLO-MRXNPFEDSA-N 2 2 306.450 3.056 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCOC1CCC1 ZINC000347224554 264179254 /nfs/dbraw/zinc/17/92/54/264179254.db2.gz LKMHDOJODREMFN-IBGZPJMESA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCOC1CCC1 ZINC000347224554 264179256 /nfs/dbraw/zinc/17/92/56/264179256.db2.gz LKMHDOJODREMFN-IBGZPJMESA-N 2 2 304.478 3.302 20 0 DGADLP COCC[NH+]1CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000347239549 264181451 /nfs/dbraw/zinc/18/14/51/264181451.db2.gz VTBXOYCMKVKLKL-UHFFFAOYSA-N 2 2 324.415 3.044 20 0 DGADLP CC[NH+](CC)CCC[N@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347348090 264202447 /nfs/dbraw/zinc/20/24/47/264202447.db2.gz TUWLICBTQNXLTA-SJORKVTESA-N 2 2 322.518 3.219 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347348090 264202449 /nfs/dbraw/zinc/20/24/49/264202449.db2.gz TUWLICBTQNXLTA-SJORKVTESA-N 2 2 322.518 3.219 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)s1 ZINC000347632004 264255117 /nfs/dbraw/zinc/25/51/17/264255117.db2.gz GDWQYEDQKRERKB-INIZCTEOSA-N 2 2 315.486 3.269 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)s1 ZINC000347632004 264255118 /nfs/dbraw/zinc/25/51/18/264255118.db2.gz GDWQYEDQKRERKB-INIZCTEOSA-N 2 2 315.486 3.269 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000347787272 264285758 /nfs/dbraw/zinc/28/57/58/264285758.db2.gz RUYHBKJSBDZGFK-INIZCTEOSA-N 2 2 304.434 3.129 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000347787272 264285761 /nfs/dbraw/zinc/28/57/61/264285761.db2.gz RUYHBKJSBDZGFK-INIZCTEOSA-N 2 2 304.434 3.129 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H]2Cc2ccccc2)s1 ZINC000347850910 264295062 /nfs/dbraw/zinc/29/50/62/264295062.db2.gz GGNTYOGTLLXNTM-HNNXBMFYSA-N 2 2 301.459 3.022 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H]2Cc2ccccc2)s1 ZINC000347850910 264295063 /nfs/dbraw/zinc/29/50/63/264295063.db2.gz GGNTYOGTLLXNTM-HNNXBMFYSA-N 2 2 301.459 3.022 20 0 DGADLP CO[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000348042289 264327870 /nfs/dbraw/zinc/32/78/70/264327870.db2.gz MVQLZHTUUZOBRY-SFHVURJKSA-N 2 2 302.393 3.439 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348083053 264336829 /nfs/dbraw/zinc/33/68/29/264336829.db2.gz KCTSLWLWWNTSNE-KGLIPLIRSA-N 2 2 309.429 3.144 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(F)cn1 ZINC000348083053 264336831 /nfs/dbraw/zinc/33/68/31/264336831.db2.gz KCTSLWLWWNTSNE-KGLIPLIRSA-N 2 2 309.429 3.144 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(F)cn1 ZINC000348106998 264341853 /nfs/dbraw/zinc/34/18/53/264341853.db2.gz QBUBSJBSXBDTLO-ZIAGYGMSSA-N 2 2 309.429 3.002 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(F)cn1 ZINC000348121963 264346484 /nfs/dbraw/zinc/34/64/84/264346484.db2.gz KDEAWGXUHYPAAU-SWLSCSKDSA-N 2 2 311.445 3.246 20 0 DGADLP COc1ccc([C@H](CCO)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348141382 264350977 /nfs/dbraw/zinc/35/09/77/264350977.db2.gz XVFDKHRKGMXRPL-IBGZPJMESA-N 2 2 314.429 3.045 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348219815 264366863 /nfs/dbraw/zinc/36/68/63/264366863.db2.gz DSFAWTCNGWHYCE-NXHRZFHOSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348219815 264366865 /nfs/dbraw/zinc/36/68/65/264366865.db2.gz DSFAWTCNGWHYCE-NXHRZFHOSA-N 2 2 304.503 3.240 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C(C)C ZINC000348302086 264385314 /nfs/dbraw/zinc/38/53/14/264385314.db2.gz LTJKAAJJYWPEFJ-DLBZAZTESA-N 2 2 306.498 3.454 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000348306643 264386217 /nfs/dbraw/zinc/38/62/17/264386217.db2.gz ZCJSAGLMKMMESX-KBPBESRZSA-N 2 2 314.424 3.268 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nnc(C)s1 ZINC000348325126 264390724 /nfs/dbraw/zinc/39/07/24/264390724.db2.gz VUFPHCKRBZLDDI-VHDGCEQUSA-N 2 2 310.511 3.398 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](CC3CCC(C)(C)CC3)CC2)CCO1 ZINC000352344566 265009278 /nfs/dbraw/zinc/00/92/78/265009278.db2.gz FZZQQGIAQYCFKZ-INIZCTEOSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](CC3CCC(C)(C)CC3)CC2)CCO1 ZINC000352344566 265009281 /nfs/dbraw/zinc/00/92/81/265009281.db2.gz FZZQQGIAQYCFKZ-INIZCTEOSA-N 2 2 308.510 3.388 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOCCC(C)C)CC1 ZINC000352365408 265018285 /nfs/dbraw/zinc/01/82/85/265018285.db2.gz REKZWEHIEVZYJK-UHFFFAOYSA-N 2 2 306.450 3.296 20 0 DGADLP CCc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])n2)cc1 ZINC000352475698 265062603 /nfs/dbraw/zinc/06/26/03/265062603.db2.gz DZBPEDFNXUMDRY-MRXNPFEDSA-N 2 2 314.433 3.002 20 0 DGADLP CCc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CC[NH3+])n2)cc1 ZINC000352475698 265062605 /nfs/dbraw/zinc/06/26/05/265062605.db2.gz DZBPEDFNXUMDRY-MRXNPFEDSA-N 2 2 314.433 3.002 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000352545467 265084343 /nfs/dbraw/zinc/08/43/43/265084343.db2.gz JCHDTOLTCSXPBW-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000352545467 265084348 /nfs/dbraw/zinc/08/43/48/265084348.db2.gz JCHDTOLTCSXPBW-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC000352544633 265084443 /nfs/dbraw/zinc/08/44/43/265084443.db2.gz BSXWIDBYOFPHLW-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC000352544633 265084445 /nfs/dbraw/zinc/08/44/45/265084445.db2.gz BSXWIDBYOFPHLW-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@@H+]1C ZINC000352635586 265112166 /nfs/dbraw/zinc/11/21/66/265112166.db2.gz DRHNWPCZEJGNMV-KBPBESRZSA-N 2 2 317.458 3.398 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000352635586 265112169 /nfs/dbraw/zinc/11/21/69/265112169.db2.gz DRHNWPCZEJGNMV-KBPBESRZSA-N 2 2 317.458 3.398 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000352732998 265145297 /nfs/dbraw/zinc/14/52/97/265145297.db2.gz BAWLRLYZIOJKMV-OXQOHEQNSA-N 2 2 309.457 3.254 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000352732998 265145300 /nfs/dbraw/zinc/14/53/00/265145300.db2.gz BAWLRLYZIOJKMV-OXQOHEQNSA-N 2 2 309.457 3.254 20 0 DGADLP CCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000352761291 265156351 /nfs/dbraw/zinc/15/63/51/265156351.db2.gz VPQOPNQQPXBLMV-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccccc3)CCC2)s1 ZINC000352783801 265164113 /nfs/dbraw/zinc/16/41/13/265164113.db2.gz YVPOVQGBKZPSJT-UHFFFAOYSA-N 2 2 301.459 3.374 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810302 265177051 /nfs/dbraw/zinc/17/70/51/265177051.db2.gz MQUGSHMCEBSOGP-YWZLYKJASA-N 2 2 307.441 3.321 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810302 265177056 /nfs/dbraw/zinc/17/70/56/265177056.db2.gz MQUGSHMCEBSOGP-YWZLYKJASA-N 2 2 307.441 3.321 20 0 DGADLP Cc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000352901269 265221829 /nfs/dbraw/zinc/22/18/29/265221829.db2.gz JHRWHBMSYRSZGC-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928419 265233122 /nfs/dbraw/zinc/23/31/22/265233122.db2.gz CEHUTGUYQYGUJG-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928419 265233124 /nfs/dbraw/zinc/23/31/24/265233124.db2.gz CEHUTGUYQYGUJG-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928419 265233127 /nfs/dbraw/zinc/23/31/27/265233127.db2.gz CEHUTGUYQYGUJG-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1 ZINC000352928419 265233129 /nfs/dbraw/zinc/23/31/29/265233129.db2.gz CEHUTGUYQYGUJG-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000353004815 265262405 /nfs/dbraw/zinc/26/24/05/265262405.db2.gz NOOBMKMZAVVUOE-CQSZACIVSA-N 2 2 314.433 3.219 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cncc1F ZINC000353146501 265317319 /nfs/dbraw/zinc/31/73/19/265317319.db2.gz XONBTEAWWAESGR-LBPRGKRZSA-N 2 2 314.339 3.396 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353234546 265355132 /nfs/dbraw/zinc/35/51/32/265355132.db2.gz IDCIALOADDMWQL-CYBMUJFWSA-N 2 2 319.474 3.126 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353234546 265355134 /nfs/dbraw/zinc/35/51/34/265355134.db2.gz IDCIALOADDMWQL-CYBMUJFWSA-N 2 2 319.474 3.126 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353273085 265370647 /nfs/dbraw/zinc/37/06/47/265370647.db2.gz GUYOKDQEFPRZLK-ZNMIVQPWSA-N 2 2 318.452 3.289 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000353273085 265370650 /nfs/dbraw/zinc/37/06/50/265370650.db2.gz GUYOKDQEFPRZLK-ZNMIVQPWSA-N 2 2 318.452 3.289 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)CCC2 ZINC000353315491 265385790 /nfs/dbraw/zinc/38/57/90/265385790.db2.gz CVUIIAONZMLEFD-WNRNVDISSA-N 2 2 317.477 3.254 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccnc2)cc1 ZINC000353340231 265394948 /nfs/dbraw/zinc/39/49/48/265394948.db2.gz ZSLKYRRSXYLPDS-FQEVSTJZSA-N 2 2 307.441 3.387 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2cccs2)N(C)C)c[nH+]1 ZINC000354542786 265804498 /nfs/dbraw/zinc/80/44/98/265804498.db2.gz DVJJLIWVCHMVHZ-INIZCTEOSA-N 2 2 303.475 3.277 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000355129265 265974939 /nfs/dbraw/zinc/97/49/39/265974939.db2.gz WLZBKXNNUWTAFH-UHFFFAOYSA-N 2 2 324.509 3.210 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000355129265 265974940 /nfs/dbraw/zinc/97/49/40/265974940.db2.gz WLZBKXNNUWTAFH-UHFFFAOYSA-N 2 2 324.509 3.210 20 0 DGADLP c1cc2c(nc[nH+]c2NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000522284777 424830017 /nfs/dbraw/zinc/83/00/17/424830017.db2.gz JSVFMGDTTRCCQS-OAHLLOKOSA-N 2 2 307.401 3.034 20 0 DGADLP c1cc2c(nc[nH+]c2NC[C@H]2CCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000522284777 424830019 /nfs/dbraw/zinc/83/00/19/424830019.db2.gz JSVFMGDTTRCCQS-OAHLLOKOSA-N 2 2 307.401 3.034 20 0 DGADLP COCCC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000355519206 266100883 /nfs/dbraw/zinc/10/08/83/266100883.db2.gz VVPSFXFEEPWGFV-UHFFFAOYSA-N 2 2 310.404 3.056 20 0 DGADLP CC(C)[NH+](CCN(C)c1cc(N2CCCCC2)[nH+]cn1)C(C)C ZINC000355566822 266118326 /nfs/dbraw/zinc/11/83/26/266118326.db2.gz OHUHDGVJZCSUIZ-UHFFFAOYSA-N 2 2 319.497 3.022 20 0 DGADLP CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355740091 266170532 /nfs/dbraw/zinc/17/05/32/266170532.db2.gz XTVWDFFDRJVJPD-MRXNPFEDSA-N 2 2 301.434 3.149 20 0 DGADLP Cc1cccc2[nH+]c(CN(C)CC[NH+](C(C)C)C(C)C)cn21 ZINC000356361784 266367686 /nfs/dbraw/zinc/36/76/86/266367686.db2.gz BHRBSSABMQCXBT-UHFFFAOYSA-N 2 2 302.466 3.193 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCc1cccnc1 ZINC000270335436 432233564 /nfs/dbraw/zinc/23/35/64/432233564.db2.gz MPZZLXOGDPFIEV-GOSISDBHSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000270335436 432233561 /nfs/dbraw/zinc/23/35/61/432233561.db2.gz MPZZLXOGDPFIEV-GOSISDBHSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000270367034 432237243 /nfs/dbraw/zinc/23/72/43/432237243.db2.gz SOZDQOZTRPFPQD-QGZVFWFLSA-N 2 2 306.413 3.404 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000270367034 432237247 /nfs/dbraw/zinc/23/72/47/432237247.db2.gz SOZDQOZTRPFPQD-QGZVFWFLSA-N 2 2 306.413 3.404 20 0 DGADLP CCCC[C@H](COC)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151340320 432238062 /nfs/dbraw/zinc/23/80/62/432238062.db2.gz GSYREAIIZQOXRO-GOSISDBHSA-N 2 2 301.434 3.226 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000247656691 432244703 /nfs/dbraw/zinc/24/47/03/432244703.db2.gz PQVRIDRQFDXOQS-ILXRZTDVSA-N 2 2 317.437 3.253 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000247656691 432244706 /nfs/dbraw/zinc/24/47/06/432244706.db2.gz PQVRIDRQFDXOQS-ILXRZTDVSA-N 2 2 317.437 3.253 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483838 432249692 /nfs/dbraw/zinc/24/96/92/432249692.db2.gz LCWZWBZMXHSARW-LLGFUMIMSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483838 432249698 /nfs/dbraw/zinc/24/96/98/432249698.db2.gz LCWZWBZMXHSARW-LLGFUMIMSA-N 2 2 324.468 3.493 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885424 271009942 /nfs/dbraw/zinc/00/99/42/271009942.db2.gz KGWPVOJJLKJTHI-SJLPKXTDSA-N 2 2 302.462 3.372 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885424 271009945 /nfs/dbraw/zinc/00/99/45/271009945.db2.gz KGWPVOJJLKJTHI-SJLPKXTDSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885424 271009947 /nfs/dbraw/zinc/00/99/47/271009947.db2.gz KGWPVOJJLKJTHI-SJLPKXTDSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885424 271009949 /nfs/dbraw/zinc/00/99/49/271009949.db2.gz KGWPVOJJLKJTHI-SJLPKXTDSA-N 2 2 302.462 3.372 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885425 271010076 /nfs/dbraw/zinc/01/00/76/271010076.db2.gz KGWPVOJJLKJTHI-WMZOPIPTSA-N 2 2 302.462 3.372 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885425 271010077 /nfs/dbraw/zinc/01/00/77/271010077.db2.gz KGWPVOJJLKJTHI-WMZOPIPTSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885425 271010079 /nfs/dbraw/zinc/01/00/79/271010079.db2.gz KGWPVOJJLKJTHI-WMZOPIPTSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885425 271010081 /nfs/dbraw/zinc/01/00/81/271010081.db2.gz KGWPVOJJLKJTHI-WMZOPIPTSA-N 2 2 302.462 3.372 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000367671845 271062694 /nfs/dbraw/zinc/06/26/94/271062694.db2.gz QSYCCLMBRKVFRP-GSEOLPGOSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000367671845 271062708 /nfs/dbraw/zinc/06/27/08/271062708.db2.gz QSYCCLMBRKVFRP-GSEOLPGOSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000367887398 271092806 /nfs/dbraw/zinc/09/28/06/271092806.db2.gz RVHDQPVDHNQPDR-LZQZEXGQSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000367887398 271092809 /nfs/dbraw/zinc/09/28/09/271092809.db2.gz RVHDQPVDHNQPDR-LZQZEXGQSA-N 2 2 324.472 3.050 20 0 DGADLP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367996561 271108436 /nfs/dbraw/zinc/10/84/36/271108436.db2.gz HWCJSMZQDAQRHD-SJORKVTESA-N 3 2 309.542 3.349 20 0 DGADLP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000369723191 271314432 /nfs/dbraw/zinc/31/44/32/271314432.db2.gz VUTKVHLYQAIMAH-UHFFFAOYSA-N 3 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000369723191 271314433 /nfs/dbraw/zinc/31/44/33/271314433.db2.gz VUTKVHLYQAIMAH-UHFFFAOYSA-N 3 2 324.472 3.180 20 0 DGADLP C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232589 271345375 /nfs/dbraw/zinc/34/53/75/271345375.db2.gz YALKOPATHWSEHE-MAUKXSAKSA-N 2 2 319.412 3.245 20 0 DGADLP C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232589 271345379 /nfs/dbraw/zinc/34/53/79/271345379.db2.gz YALKOPATHWSEHE-MAUKXSAKSA-N 2 2 319.412 3.245 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000370598273 271372013 /nfs/dbraw/zinc/37/20/13/271372013.db2.gz RACBOQSUOITLPF-CYBMUJFWSA-N 2 2 305.809 3.072 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000370598273 271372014 /nfs/dbraw/zinc/37/20/14/271372014.db2.gz RACBOQSUOITLPF-CYBMUJFWSA-N 2 2 305.809 3.072 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)Cc1ccccc1 ZINC000419693976 273553577 /nfs/dbraw/zinc/55/35/77/273553577.db2.gz JOOJKJREZNNPNQ-KRWDZBQOSA-N 2 2 314.477 3.091 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423374152 273687008 /nfs/dbraw/zinc/68/70/08/273687008.db2.gz HWCYLRUUWGZTTK-IAQYHMDHSA-N 2 2 311.267 3.414 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000183090201 432257753 /nfs/dbraw/zinc/25/77/53/432257753.db2.gz YEXIQTVACVLXBN-DLBZAZTESA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000183090201 432257755 /nfs/dbraw/zinc/25/77/55/432257755.db2.gz YEXIQTVACVLXBN-DLBZAZTESA-N 2 2 320.477 3.011 20 0 DGADLP COC[C@]1(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CCC[NH2+]1 ZINC000423431272 274052739 /nfs/dbraw/zinc/05/27/39/274052739.db2.gz QHSFHJVARPDIDZ-NJZAAPMLSA-N 2 2 312.504 3.032 20 0 DGADLP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc[nH+]c12 ZINC000275845675 274150570 /nfs/dbraw/zinc/15/05/70/274150570.db2.gz QRYJPISKOGNAKR-HOCLYGCPSA-N 2 2 311.429 3.164 20 0 DGADLP COc1cccc2c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc[nH+]c12 ZINC000275845675 274150571 /nfs/dbraw/zinc/15/05/71/274150571.db2.gz QRYJPISKOGNAKR-HOCLYGCPSA-N 2 2 311.429 3.164 20 0 DGADLP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162262767 274557199 /nfs/dbraw/zinc/55/71/99/274557199.db2.gz RVNUEGWDARUUHU-HOTGVXAUSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000290157286 274636690 /nfs/dbraw/zinc/63/66/90/274636690.db2.gz LPIIXDZMEUHCKR-KUHUBIRLSA-N 2 2 309.413 3.162 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000270578800 432260502 /nfs/dbraw/zinc/26/05/02/432260502.db2.gz CIRDFQVMYOLHBD-MRXNPFEDSA-N 2 2 312.442 3.417 20 0 DGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414839269 275541218 /nfs/dbraw/zinc/54/12/18/275541218.db2.gz FWABJDGLJNJANS-INIZCTEOSA-N 2 2 312.461 3.011 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000443414944 276179352 /nfs/dbraw/zinc/17/93/52/276179352.db2.gz GXHIJSHXTHDZQT-GBESFXJTSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000443414944 276179353 /nfs/dbraw/zinc/17/93/53/276179353.db2.gz GXHIJSHXTHDZQT-GBESFXJTSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000443414950 276181160 /nfs/dbraw/zinc/18/11/60/276181160.db2.gz GXHIJSHXTHDZQT-OTWHNJEPSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000443414950 276181161 /nfs/dbraw/zinc/18/11/61/276181161.db2.gz GXHIJSHXTHDZQT-OTWHNJEPSA-N 2 2 306.494 3.023 20 0 DGADLP CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435373431 276355428 /nfs/dbraw/zinc/35/54/28/276355428.db2.gz UTGFPHHLAVMKAQ-CQSZACIVSA-N 2 2 320.868 3.191 20 0 DGADLP CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435373431 276355431 /nfs/dbraw/zinc/35/54/31/276355431.db2.gz UTGFPHHLAVMKAQ-CQSZACIVSA-N 2 2 320.868 3.191 20 0 DGADLP COc1cc(C)[nH+]c(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000339819103 277375151 /nfs/dbraw/zinc/37/51/51/277375151.db2.gz DWHYDOCARVFQRM-JZXOWHBKSA-N 2 2 317.477 3.236 20 0 DGADLP COc1cc(C)[nH+]c(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000339819103 277375154 /nfs/dbraw/zinc/37/51/54/277375154.db2.gz DWHYDOCARVFQRM-JZXOWHBKSA-N 2 2 317.477 3.236 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429714739 278003536 /nfs/dbraw/zinc/00/35/36/278003536.db2.gz HGKBSYWVNLFMBC-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429714739 278003537 /nfs/dbraw/zinc/00/35/37/278003537.db2.gz HGKBSYWVNLFMBC-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714739 278003538 /nfs/dbraw/zinc/00/35/38/278003538.db2.gz HGKBSYWVNLFMBC-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714739 278003540 /nfs/dbraw/zinc/00/35/40/278003540.db2.gz HGKBSYWVNLFMBC-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420336949 278054796 /nfs/dbraw/zinc/05/47/96/278054796.db2.gz QTIAPOOGPYFWSW-UHFFFAOYSA-N 2 2 317.477 3.293 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420336949 278054797 /nfs/dbraw/zinc/05/47/97/278054797.db2.gz QTIAPOOGPYFWSW-UHFFFAOYSA-N 2 2 317.477 3.293 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000246168479 278271853 /nfs/dbraw/zinc/27/18/53/278271853.db2.gz VENBTFQHIOCENT-RRFJBIMHSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[NH+]1CCC(C)CC1 ZINC000421822333 278287252 /nfs/dbraw/zinc/28/72/52/278287252.db2.gz AFNWNLGLJGXPES-WMZOPIPTSA-N 2 2 301.478 3.039 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422772334 278294215 /nfs/dbraw/zinc/29/42/15/278294215.db2.gz WXSUJKSUSKWQCX-IRXDYDNUSA-N 2 2 312.461 3.273 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]1 ZINC000422960375 278374667 /nfs/dbraw/zinc/37/46/67/278374667.db2.gz WBUJHYIGCGZWIO-WKPIXPDZSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCn2ccnc21 ZINC000297142524 278781140 /nfs/dbraw/zinc/78/11/40/278781140.db2.gz ZNMNAXRQDVCWGA-NUJGCVRESA-N 2 2 324.472 3.074 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423193378 278997273 /nfs/dbraw/zinc/99/72/73/278997273.db2.gz QMIBVTSLZTWEDH-SUNKGSAMSA-N 2 2 309.251 3.339 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423260250 279142288 /nfs/dbraw/zinc/14/22/88/279142288.db2.gz HCZXMULHPTVBIB-DOMZBBRYSA-N 2 2 315.383 3.441 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437768424 279264529 /nfs/dbraw/zinc/26/45/29/279264529.db2.gz BDCJTDFTWHQWTR-MISYRCLQSA-N 2 2 316.489 3.197 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000422779664 279373384 /nfs/dbraw/zinc/37/33/84/279373384.db2.gz IPDHQDIVMYNCEI-MDASCCDHSA-N 2 2 320.452 3.414 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000344765044 279383348 /nfs/dbraw/zinc/38/33/48/279383348.db2.gz OUXKNQFLBJBIBP-HLIPFELVSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000344765044 279383352 /nfs/dbraw/zinc/38/33/52/279383352.db2.gz OUXKNQFLBJBIBP-HLIPFELVSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000069627094 431204398 /nfs/dbraw/zinc/20/43/98/431204398.db2.gz GBOKFQXLURCAIW-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000069627094 431204405 /nfs/dbraw/zinc/20/44/05/431204405.db2.gz GBOKFQXLURCAIW-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858846 431229583 /nfs/dbraw/zinc/22/95/83/431229583.db2.gz UITCZAONLHORDD-UYAOXDASSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858846 431229593 /nfs/dbraw/zinc/22/95/93/431229593.db2.gz UITCZAONLHORDD-UYAOXDASSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174285 431243406 /nfs/dbraw/zinc/24/34/06/431243406.db2.gz UYKAIZPNJJPYDP-NWDGAFQWSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174285 431243409 /nfs/dbraw/zinc/24/34/09/431243409.db2.gz UYKAIZPNJJPYDP-NWDGAFQWSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533496 431251578 /nfs/dbraw/zinc/25/15/78/431251578.db2.gz KOWLZMUIXQSQHF-PWSUYJOCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533496 431251583 /nfs/dbraw/zinc/25/15/83/431251583.db2.gz KOWLZMUIXQSQHF-PWSUYJOCSA-N 2 2 315.230 3.147 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000071146024 431273343 /nfs/dbraw/zinc/27/33/43/431273343.db2.gz KCCUAULMWIZFBK-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000071146024 431273350 /nfs/dbraw/zinc/27/33/50/431273350.db2.gz KCCUAULMWIZFBK-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000072737785 431345477 /nfs/dbraw/zinc/34/54/77/431345477.db2.gz DWEXTOCSSKQKRO-GFCCVEGCSA-N 2 2 322.250 3.380 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000113512125 431352768 /nfs/dbraw/zinc/35/27/68/431352768.db2.gz MIALYHOCVNIBRY-INIZCTEOSA-N 2 2 311.429 3.257 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000113512125 431352773 /nfs/dbraw/zinc/35/27/73/431352773.db2.gz MIALYHOCVNIBRY-INIZCTEOSA-N 2 2 311.429 3.257 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3COc4ccccc43)CC2)cc1 ZINC000114850945 431416013 /nfs/dbraw/zinc/41/60/13/431416013.db2.gz GCHOWTCRSZVXQH-HXUWFJFHSA-N 2 2 322.452 3.417 20 0 DGADLP CC(C)[C@@H](CNc1cc[nH+]c2ccsc21)[NH+]1CCOCC1 ZINC000301380519 279853756 /nfs/dbraw/zinc/85/37/56/279853756.db2.gz YPCIRYZAZMODFV-OAHLLOKOSA-N 2 2 305.447 3.065 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000076003466 431515807 /nfs/dbraw/zinc/51/58/07/431515807.db2.gz DVJZQFQSMVDUSJ-AWEZNQCLSA-N 2 2 312.404 3.452 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000076003466 431515814 /nfs/dbraw/zinc/51/58/14/431515814.db2.gz DVJZQFQSMVDUSJ-AWEZNQCLSA-N 2 2 312.404 3.452 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000092567034 280008494 /nfs/dbraw/zinc/00/84/94/280008494.db2.gz QALJSWSJWAGWBM-LBDPXKHJSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000092567034 280008497 /nfs/dbraw/zinc/00/84/97/280008497.db2.gz QALJSWSJWAGWBM-LBDPXKHJSA-N 2 2 322.493 3.102 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000471582723 280032000 /nfs/dbraw/zinc/03/20/00/280032000.db2.gz QNJDWJZWCJQDBL-NQYYFHDYSA-N 2 2 304.478 3.471 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423064831 280189045 /nfs/dbraw/zinc/18/90/45/280189045.db2.gz SDKVWCMGYOWJKD-ZNMIVQPWSA-N 2 2 300.368 3.453 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000423232897 280308801 /nfs/dbraw/zinc/30/88/01/280308801.db2.gz JAAYYMIDNFQYTN-UONOGXRCSA-N 2 2 309.251 3.086 20 0 DGADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000119209932 431659316 /nfs/dbraw/zinc/65/93/16/431659316.db2.gz YNIABCDHUNPJDA-KRWDZBQOSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000119209932 431659323 /nfs/dbraw/zinc/65/93/23/431659323.db2.gz YNIABCDHUNPJDA-KRWDZBQOSA-N 2 2 319.493 3.489 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136495 431650221 /nfs/dbraw/zinc/65/02/21/431650221.db2.gz QAZJZNJHFUJVOQ-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136495 431650225 /nfs/dbraw/zinc/65/02/25/431650225.db2.gz QAZJZNJHFUJVOQ-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000078411653 431667124 /nfs/dbraw/zinc/66/71/24/431667124.db2.gz DZAKZLITYIDVCM-HNNXBMFYSA-N 2 2 309.417 3.008 20 0 DGADLP CC[N@@H+]1CCC[C@@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000119442738 431692250 /nfs/dbraw/zinc/69/22/50/431692250.db2.gz ONNDVQQAJLADEB-AWEZNQCLSA-N 2 2 314.433 3.091 20 0 DGADLP CC[N@H+]1CCC[C@@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000119442738 431692256 /nfs/dbraw/zinc/69/22/56/431692256.db2.gz ONNDVQQAJLADEB-AWEZNQCLSA-N 2 2 314.433 3.091 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119488950 431698261 /nfs/dbraw/zinc/69/82/61/431698261.db2.gz ZWRGGSQAAYJPJI-ZDUSSCGKSA-N 2 2 305.397 3.131 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119488950 431698266 /nfs/dbraw/zinc/69/82/66/431698266.db2.gz ZWRGGSQAAYJPJI-ZDUSSCGKSA-N 2 2 305.397 3.131 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119488950 431698273 /nfs/dbraw/zinc/69/82/73/431698273.db2.gz ZWRGGSQAAYJPJI-ZDUSSCGKSA-N 2 2 305.397 3.131 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119488950 431698276 /nfs/dbraw/zinc/69/82/76/431698276.db2.gz ZWRGGSQAAYJPJI-ZDUSSCGKSA-N 2 2 305.397 3.131 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081633157 431798042 /nfs/dbraw/zinc/79/80/42/431798042.db2.gz IGQSWHQMMLSTRG-OAHLLOKOSA-N 2 2 324.415 3.452 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081633157 431798047 /nfs/dbraw/zinc/79/80/47/431798047.db2.gz IGQSWHQMMLSTRG-OAHLLOKOSA-N 2 2 324.415 3.452 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000081633157 431798054 /nfs/dbraw/zinc/79/80/54/431798054.db2.gz IGQSWHQMMLSTRG-OAHLLOKOSA-N 2 2 324.415 3.452 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000081633157 431798063 /nfs/dbraw/zinc/79/80/63/431798063.db2.gz IGQSWHQMMLSTRG-OAHLLOKOSA-N 2 2 324.415 3.452 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081634103 431800090 /nfs/dbraw/zinc/80/00/90/431800090.db2.gz BTNBTIBFHPCBIV-INIZCTEOSA-N 2 2 322.880 3.383 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081634103 431800096 /nfs/dbraw/zinc/80/00/96/431800096.db2.gz BTNBTIBFHPCBIV-INIZCTEOSA-N 2 2 322.880 3.383 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000081634103 431800099 /nfs/dbraw/zinc/80/00/99/431800099.db2.gz BTNBTIBFHPCBIV-INIZCTEOSA-N 2 2 322.880 3.383 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000081634103 431800102 /nfs/dbraw/zinc/80/01/02/431800102.db2.gz BTNBTIBFHPCBIV-INIZCTEOSA-N 2 2 322.880 3.383 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(Br)c2)CC[C@@H]1[NH3+] ZINC000122780803 431844498 /nfs/dbraw/zinc/84/44/98/431844498.db2.gz GSECWGZSZRGULQ-QWRGUYRKSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(Br)c2)CC[C@@H]1[NH3+] ZINC000122780803 431844501 /nfs/dbraw/zinc/84/45/01/431844501.db2.gz GSECWGZSZRGULQ-QWRGUYRKSA-N 2 2 303.269 3.070 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122325155 431827476 /nfs/dbraw/zinc/82/74/76/431827476.db2.gz LGMZBWRFINIRCU-IEBWSBKVSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000122325155 431827480 /nfs/dbraw/zinc/82/74/80/431827480.db2.gz LGMZBWRFINIRCU-IEBWSBKVSA-N 2 2 324.472 3.052 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)CC)CC1 ZINC000093301590 431914314 /nfs/dbraw/zinc/91/43/14/431914314.db2.gz ICYGFAKKMGDTTH-OAHLLOKOSA-N 2 2 301.434 3.007 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000125115678 431914588 /nfs/dbraw/zinc/91/45/88/431914588.db2.gz DPBGMISOYXFPGZ-UWVAXJGDSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000125115678 431914590 /nfs/dbraw/zinc/91/45/90/431914590.db2.gz DPBGMISOYXFPGZ-UWVAXJGDSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125413329 431924373 /nfs/dbraw/zinc/92/43/73/431924373.db2.gz HBZKVRDSGYUSSM-MRXNPFEDSA-N 3 2 312.461 3.255 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000044537015 431875554 /nfs/dbraw/zinc/87/55/54/431875554.db2.gz LMWMXWBOLJNSTF-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000044537015 431875555 /nfs/dbraw/zinc/87/55/55/431875555.db2.gz LMWMXWBOLJNSTF-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000044534412 431875579 /nfs/dbraw/zinc/87/55/79/431875579.db2.gz ZNIAHBVCPQTWKL-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000044534412 431875581 /nfs/dbraw/zinc/87/55/81/431875581.db2.gz ZNIAHBVCPQTWKL-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000090004024 431888411 /nfs/dbraw/zinc/88/84/11/431888411.db2.gz FGISDLMQCLIYBU-HNNXBMFYSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000090004024 431888412 /nfs/dbraw/zinc/88/84/12/431888412.db2.gz FGISDLMQCLIYBU-HNNXBMFYSA-N 2 2 319.399 3.196 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003929 431888644 /nfs/dbraw/zinc/88/86/44/431888644.db2.gz IEINAPUDXXMUAE-AWEZNQCLSA-N 2 2 318.490 3.284 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090003929 431888647 /nfs/dbraw/zinc/88/86/47/431888647.db2.gz IEINAPUDXXMUAE-AWEZNQCLSA-N 2 2 318.490 3.284 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124286799 431888752 /nfs/dbraw/zinc/88/87/52/431888752.db2.gz XACWZJBFGVBUGK-GFCCVEGCSA-N 2 2 317.418 3.078 20 0 DGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124286799 431888753 /nfs/dbraw/zinc/88/87/53/431888753.db2.gz XACWZJBFGVBUGK-GFCCVEGCSA-N 2 2 317.418 3.078 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000090403706 431891081 /nfs/dbraw/zinc/89/10/81/431891081.db2.gz SEEZEVLNFRAULA-NSHDSACASA-N 2 2 313.430 3.191 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(OC(F)F)cc1C ZINC000125549743 431929328 /nfs/dbraw/zinc/92/93/28/431929328.db2.gz HBJHBKQUXAHBPR-AWEZNQCLSA-N 2 2 312.404 3.288 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(OC(F)F)cc1C ZINC000125549743 431929332 /nfs/dbraw/zinc/92/93/32/431929332.db2.gz HBJHBKQUXAHBPR-AWEZNQCLSA-N 2 2 312.404 3.288 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)ccc1F ZINC000049551657 431941430 /nfs/dbraw/zinc/94/14/30/431941430.db2.gz MYRNYAOFKOZOCZ-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP c1ccc(C2(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC000127258499 431967480 /nfs/dbraw/zinc/96/74/80/431967480.db2.gz WGZQDLMDKFVPQC-UHFFFAOYSA-N 2 2 321.468 3.367 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000191486706 432269793 /nfs/dbraw/zinc/26/97/93/432269793.db2.gz LPIZBWZGVOFHDD-UHFFFAOYSA-N 2 2 319.453 3.038 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000191486706 432269797 /nfs/dbraw/zinc/26/97/97/432269797.db2.gz LPIZBWZGVOFHDD-UHFFFAOYSA-N 2 2 319.453 3.038 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183235159 432272389 /nfs/dbraw/zinc/27/23/89/432272389.db2.gz WPGGMURHPMFHDK-GOSISDBHSA-N 2 2 323.444 3.209 20 0 DGADLP CC(C)([NH2+]CCC[NH2+]C(C)(C)c1nccs1)c1nccs1 ZINC000173422184 432276549 /nfs/dbraw/zinc/27/65/49/432276549.db2.gz OZEFLKPPEYTEBP-UHFFFAOYSA-N 2 2 324.519 3.339 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000151808469 432278692 /nfs/dbraw/zinc/27/86/92/432278692.db2.gz YLNPSZPXTJMNFZ-UWJYYQICSA-N 2 2 324.468 3.065 20 0 DGADLP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191648981 432286976 /nfs/dbraw/zinc/28/69/76/432286976.db2.gz MNRXCYJNZGTTEX-KBPBESRZSA-N 2 2 310.869 3.317 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000270806857 432292272 /nfs/dbraw/zinc/29/22/72/432292272.db2.gz GLNSGJRUMDAWKI-UHFFFAOYSA-N 2 2 321.371 3.013 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248826681 432322312 /nfs/dbraw/zinc/32/23/12/432322312.db2.gz HEHIZTUFMYRBQY-HZPDHXFCSA-N 2 2 310.482 3.057 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248826681 432322318 /nfs/dbraw/zinc/32/23/18/432322318.db2.gz HEHIZTUFMYRBQY-HZPDHXFCSA-N 2 2 310.482 3.057 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000191990438 432322253 /nfs/dbraw/zinc/32/22/53/432322253.db2.gz WMQQFJGFXCBQPH-UHFFFAOYSA-N 2 2 321.424 3.175 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000191990438 432322257 /nfs/dbraw/zinc/32/22/57/432322257.db2.gz WMQQFJGFXCBQPH-UHFFFAOYSA-N 2 2 321.424 3.175 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248827297 432322924 /nfs/dbraw/zinc/32/29/24/432322924.db2.gz GPDGILANYMNBSI-CSNJMZFVSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248827297 432322926 /nfs/dbraw/zinc/32/29/26/432322926.db2.gz GPDGILANYMNBSI-CSNJMZFVSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248827297 432322931 /nfs/dbraw/zinc/32/29/31/432322931.db2.gz GPDGILANYMNBSI-CSNJMZFVSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248827297 432322932 /nfs/dbraw/zinc/32/29/32/432322932.db2.gz GPDGILANYMNBSI-CSNJMZFVSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248880844 432324778 /nfs/dbraw/zinc/32/47/78/432324778.db2.gz PGMQPDDVZBDXMI-UAGQMJEPSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248880844 432324783 /nfs/dbraw/zinc/32/47/83/432324783.db2.gz PGMQPDDVZBDXMI-UAGQMJEPSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248880844 432324788 /nfs/dbraw/zinc/32/47/88/432324788.db2.gz PGMQPDDVZBDXMI-UAGQMJEPSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248880844 432324791 /nfs/dbraw/zinc/32/47/91/432324791.db2.gz PGMQPDDVZBDXMI-UAGQMJEPSA-N 2 2 322.493 3.055 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000192055543 432328747 /nfs/dbraw/zinc/32/87/47/432328747.db2.gz HWBPRYLZYGTWAT-CVEARBPZSA-N 2 2 305.809 3.046 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)[nH]1 ZINC000271118019 432332343 /nfs/dbraw/zinc/33/23/43/432332343.db2.gz IMMPGZQHSQZWII-OCCSQVGLSA-N 2 2 318.446 3.097 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)[nH]1 ZINC000271118019 432332347 /nfs/dbraw/zinc/33/23/47/432332347.db2.gz IMMPGZQHSQZWII-OCCSQVGLSA-N 2 2 318.446 3.097 20 0 DGADLP CC(C)COC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000152572575 432340956 /nfs/dbraw/zinc/34/09/56/432340956.db2.gz VKVICMTVIFTNLA-SFHVURJKSA-N 2 2 320.477 3.457 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000249380263 432345795 /nfs/dbraw/zinc/34/57/95/432345795.db2.gz QAWKNNJZKNWWFZ-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000249380263 432345800 /nfs/dbraw/zinc/34/58/00/432345800.db2.gz QAWKNNJZKNWWFZ-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000271187456 432347190 /nfs/dbraw/zinc/34/71/90/432347190.db2.gz NZYXWEHPZKAOAR-KRWDZBQOSA-N 2 2 311.429 3.156 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000271187456 432347196 /nfs/dbraw/zinc/34/71/96/432347196.db2.gz NZYXWEHPZKAOAR-KRWDZBQOSA-N 2 2 311.429 3.156 20 0 DGADLP CC(C)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834914 432306324 /nfs/dbraw/zinc/30/63/24/432306324.db2.gz VMGQOOSVPNXYKH-MJGOQNOKSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834914 432306327 /nfs/dbraw/zinc/30/63/27/432306327.db2.gz VMGQOOSVPNXYKH-MJGOQNOKSA-N 2 2 304.478 3.302 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918074 432308303 /nfs/dbraw/zinc/30/83/03/432308303.db2.gz MZRGSYWOOANPAJ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918074 432308305 /nfs/dbraw/zinc/30/83/05/432308305.db2.gz MZRGSYWOOANPAJ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918074 432308310 /nfs/dbraw/zinc/30/83/10/432308310.db2.gz MZRGSYWOOANPAJ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918074 432308313 /nfs/dbraw/zinc/30/83/13/432308313.db2.gz MZRGSYWOOANPAJ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](CC)CCC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000191839629 432308366 /nfs/dbraw/zinc/30/83/66/432308366.db2.gz ICHAIVRJNXVVOY-UHFFFAOYSA-N 2 2 302.466 3.130 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838480 432308979 /nfs/dbraw/zinc/30/89/79/432308979.db2.gz AGQMIHKSXWYHBM-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838480 432308983 /nfs/dbraw/zinc/30/89/83/432308983.db2.gz AGQMIHKSXWYHBM-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251861909 432372204 /nfs/dbraw/zinc/37/22/04/432372204.db2.gz SNTOWTHRFRPZAY-GXFFZTMASA-N 2 2 303.233 3.041 20 0 DGADLP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251861909 432372207 /nfs/dbraw/zinc/37/22/07/432372207.db2.gz SNTOWTHRFRPZAY-GXFFZTMASA-N 2 2 303.233 3.041 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C2 ZINC000192438992 432373676 /nfs/dbraw/zinc/37/36/76/432373676.db2.gz CQGPUMFQLWCXHD-RDJZCZTQSA-N 2 2 302.462 3.017 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000252704019 432386762 /nfs/dbraw/zinc/38/67/62/432386762.db2.gz LVGSMZVBNMBKLN-GJZGRUSLSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000252704019 432386764 /nfs/dbraw/zinc/38/67/64/432386764.db2.gz LVGSMZVBNMBKLN-GJZGRUSLSA-N 2 2 323.278 3.474 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000271457834 432399687 /nfs/dbraw/zinc/39/96/87/432399687.db2.gz GZWLPECJJVKWIY-PBHICJAKSA-N 2 2 322.880 3.462 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000271494393 432406557 /nfs/dbraw/zinc/40/65/57/432406557.db2.gz LGYNNSXYQAHWOZ-UALQAHIBSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000271494393 432406561 /nfs/dbraw/zinc/40/65/61/432406561.db2.gz LGYNNSXYQAHWOZ-UALQAHIBSA-N 2 2 306.425 3.117 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cc(O)cc(F)c1)Cc1ccccc1 ZINC000184131644 432358435 /nfs/dbraw/zinc/35/84/35/432358435.db2.gz JGGCYOUKBUAGEG-UHFFFAOYSA-N 2 2 302.393 3.143 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cc(O)cc(F)c1)Cc1ccccc1 ZINC000184131644 432358439 /nfs/dbraw/zinc/35/84/39/432358439.db2.gz JGGCYOUKBUAGEG-UHFFFAOYSA-N 2 2 302.393 3.143 20 0 DGADLP c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355245 432362909 /nfs/dbraw/zinc/36/29/09/432362909.db2.gz UWEDQANWFLEWJL-HXUWFJFHSA-N 2 2 310.441 3.067 20 0 DGADLP c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355245 432362914 /nfs/dbraw/zinc/36/29/14/432362914.db2.gz UWEDQANWFLEWJL-HXUWFJFHSA-N 2 2 310.441 3.067 20 0 DGADLP OCCCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000192924165 432429302 /nfs/dbraw/zinc/42/93/02/432429302.db2.gz PLXAQYYJVFLUFQ-UHFFFAOYSA-N 2 2 310.869 3.057 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C(C)(C)O1 ZINC000153674804 432432165 /nfs/dbraw/zinc/43/21/65/432432165.db2.gz XYFKJJXSQXKSOG-INIZCTEOSA-N 2 2 317.408 3.447 20 0 DGADLP c1coc(-c2ncc(C[NH2+]CCc3cn4ccccc4[nH+]3)s2)c1 ZINC000192997928 432436928 /nfs/dbraw/zinc/43/69/28/432436928.db2.gz DYLMPMKYNMPWJV-UHFFFAOYSA-N 2 2 324.409 3.383 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000153739504 432436992 /nfs/dbraw/zinc/43/69/92/432436992.db2.gz XBMVMZIDQQAUQK-ZDUSSCGKSA-N 2 2 313.511 3.194 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000153739504 432436997 /nfs/dbraw/zinc/43/69/97/432436997.db2.gz XBMVMZIDQQAUQK-ZDUSSCGKSA-N 2 2 313.511 3.194 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@H]12 ZINC000261648232 432438028 /nfs/dbraw/zinc/43/80/28/432438028.db2.gz DALQMKPVALYFIX-LEWSCRJBSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@H]12 ZINC000261648232 432438033 /nfs/dbraw/zinc/43/80/33/432438033.db2.gz DALQMKPVALYFIX-LEWSCRJBSA-N 2 2 305.472 3.041 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261731659 432444617 /nfs/dbraw/zinc/44/46/17/432444617.db2.gz RFLRPRQLBOUMPE-LRDDRELGSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261731659 432444620 /nfs/dbraw/zinc/44/46/20/432444620.db2.gz RFLRPRQLBOUMPE-LRDDRELGSA-N 2 2 301.821 3.072 20 0 DGADLP [NH3+]CC1(CC(=O)Nc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC000261814755 432452566 /nfs/dbraw/zinc/45/25/66/432452566.db2.gz GSQSGZBPCOINDF-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193148190 432454742 /nfs/dbraw/zinc/45/47/42/432454742.db2.gz SAALDTNDIAXTDU-OAHLLOKOSA-N 2 2 322.880 3.108 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193148190 432454745 /nfs/dbraw/zinc/45/47/45/432454745.db2.gz SAALDTNDIAXTDU-OAHLLOKOSA-N 2 2 322.880 3.108 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000272178166 432458471 /nfs/dbraw/zinc/45/84/71/432458471.db2.gz FGQJPTPLLXPQCE-ZFWWWQNUSA-N 2 2 316.474 3.457 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1F ZINC000271502474 432410030 /nfs/dbraw/zinc/41/00/30/432410030.db2.gz METGEKOOVIMOFL-GDIGMMSISA-N 2 2 320.452 3.244 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1Cl ZINC000271530715 432416445 /nfs/dbraw/zinc/41/64/45/432416445.db2.gz RAHKEXKJJDSYIL-KKXDTOCCSA-N 2 2 322.880 3.368 20 0 DGADLP CCN(CC)c1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000262117773 432475435 /nfs/dbraw/zinc/47/54/35/432475435.db2.gz KKMLXBPYSKCPKU-IXDOHACOSA-N 2 2 302.466 3.260 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000185194207 432475692 /nfs/dbraw/zinc/47/56/92/432475692.db2.gz GEXYCXLKLLVQJF-HZPDHXFCSA-N 2 2 301.434 3.059 20 0 DGADLP c1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508542 432477621 /nfs/dbraw/zinc/47/76/21/432477621.db2.gz FFSXTXGWUZNTPE-OXQOHEQNSA-N 2 2 307.441 3.245 20 0 DGADLP c1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508542 432477625 /nfs/dbraw/zinc/47/76/25/432477625.db2.gz FFSXTXGWUZNTPE-OXQOHEQNSA-N 2 2 307.441 3.245 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000272345997 432486382 /nfs/dbraw/zinc/48/63/82/432486382.db2.gz PVAIRZLYOJEFOF-BQFCYCMXSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000272345997 432486386 /nfs/dbraw/zinc/48/63/86/432486386.db2.gz PVAIRZLYOJEFOF-BQFCYCMXSA-N 2 2 310.445 3.038 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000262513341 432490030 /nfs/dbraw/zinc/49/00/30/432490030.db2.gz NCZFRBVBYUKATB-HIFRSBDPSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000262513341 432490034 /nfs/dbraw/zinc/49/00/34/432490034.db2.gz NCZFRBVBYUKATB-HIFRSBDPSA-N 2 2 317.820 3.179 20 0 DGADLP [NH3+]CC1(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000185343864 432492575 /nfs/dbraw/zinc/49/25/75/432492575.db2.gz MRNFJNCCUHVWNI-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCCCC1 ZINC000262656662 432496349 /nfs/dbraw/zinc/49/63/49/432496349.db2.gz USSDMFHPNNZAAI-UHFFFAOYSA-N 2 2 312.417 3.431 20 0 DGADLP [NH3+]Cc1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)co1 ZINC000262810371 432504631 /nfs/dbraw/zinc/50/46/31/432504631.db2.gz UXVZDBDNBURPAI-UHFFFAOYSA-N 2 2 310.357 3.134 20 0 DGADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000261919541 432459958 /nfs/dbraw/zinc/45/99/58/432459958.db2.gz KFEXXOSIGGXKDM-NSHDSACASA-N 2 2 303.233 3.184 20 0 DGADLP CC(C)([NH3+])C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000261919541 432459962 /nfs/dbraw/zinc/45/99/62/432459962.db2.gz KFEXXOSIGGXKDM-NSHDSACASA-N 2 2 303.233 3.184 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261929939 432461330 /nfs/dbraw/zinc/46/13/30/432461330.db2.gz STFSOALQIYRBHJ-LPHOPBHVSA-N 2 2 310.441 3.133 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261949739 432464063 /nfs/dbraw/zinc/46/40/63/432464063.db2.gz NTKBUHDXMRBDGG-AWEZNQCLSA-N 2 2 308.853 3.300 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261949739 432464067 /nfs/dbraw/zinc/46/40/67/432464067.db2.gz NTKBUHDXMRBDGG-AWEZNQCLSA-N 2 2 308.853 3.300 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011484 432464612 /nfs/dbraw/zinc/46/46/12/432464612.db2.gz MSWVHYRHKAVADM-PVAVHDDUSA-N 2 2 309.523 3.203 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011484 432464613 /nfs/dbraw/zinc/46/46/13/432464613.db2.gz MSWVHYRHKAVADM-PVAVHDDUSA-N 2 2 309.523 3.203 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@@H]12 ZINC000261949729 432464659 /nfs/dbraw/zinc/46/46/59/432464659.db2.gz NTHISFWLPUBUFY-HLUHBDAQSA-N 2 2 303.208 3.302 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@@H]12 ZINC000261949729 432464663 /nfs/dbraw/zinc/46/46/63/432464663.db2.gz NTHISFWLPUBUFY-HLUHBDAQSA-N 2 2 303.208 3.302 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000261968967 432466488 /nfs/dbraw/zinc/46/64/88/432466488.db2.gz YRWZSFZQXTZINH-UXHICEINSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000261968967 432466491 /nfs/dbraw/zinc/46/64/91/432466491.db2.gz YRWZSFZQXTZINH-UXHICEINSA-N 2 2 310.441 3.292 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154028461 432467596 /nfs/dbraw/zinc/46/75/96/432467596.db2.gz XDMXATIRGGEMQR-ONIAQPFYSA-N 2 2 319.493 3.043 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)o1 ZINC000154028461 432467599 /nfs/dbraw/zinc/46/75/99/432467599.db2.gz XDMXATIRGGEMQR-ONIAQPFYSA-N 2 2 319.493 3.043 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000273154106 432558870 /nfs/dbraw/zinc/55/88/70/432558870.db2.gz ADWOIUVXNSJBMA-GFCCVEGCSA-N 2 2 318.396 3.117 20 0 DGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194036068 432519264 /nfs/dbraw/zinc/51/92/64/432519264.db2.gz OERGMPSUGVPIPD-WZGPROSRSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194036068 432519267 /nfs/dbraw/zinc/51/92/67/432519267.db2.gz OERGMPSUGVPIPD-WZGPROSRSA-N 2 2 314.473 3.054 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000154834365 432523204 /nfs/dbraw/zinc/52/32/04/432523204.db2.gz FSHZNPLGTNCECR-LBPRGKRZSA-N 2 2 314.832 3.241 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Br)o1 ZINC000176456697 432523954 /nfs/dbraw/zinc/52/39/54/432523954.db2.gz ZPBGIUYGBNCAHP-LBPRGKRZSA-N 2 2 315.255 3.348 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Br)o1 ZINC000176456697 432523957 /nfs/dbraw/zinc/52/39/57/432523957.db2.gz ZPBGIUYGBNCAHP-LBPRGKRZSA-N 2 2 315.255 3.348 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Br)o1 ZINC000176456697 432523960 /nfs/dbraw/zinc/52/39/60/432523960.db2.gz ZPBGIUYGBNCAHP-LBPRGKRZSA-N 2 2 315.255 3.348 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Br)o1 ZINC000176456697 432523965 /nfs/dbraw/zinc/52/39/65/432523965.db2.gz ZPBGIUYGBNCAHP-LBPRGKRZSA-N 2 2 315.255 3.348 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194224444 432532976 /nfs/dbraw/zinc/53/29/76/432532976.db2.gz CQBFIOCGJSLXKS-MRXNPFEDSA-N 2 2 312.461 3.431 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194224444 432532981 /nfs/dbraw/zinc/53/29/81/432532981.db2.gz CQBFIOCGJSLXKS-MRXNPFEDSA-N 2 2 312.461 3.431 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(Cl)cs3)CC2)c1 ZINC000194378845 432546457 /nfs/dbraw/zinc/54/64/57/432546457.db2.gz IYXYXAXYEYOWCV-UHFFFAOYSA-N 2 2 323.849 3.127 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000177281047 432606976 /nfs/dbraw/zinc/60/69/76/432606976.db2.gz JQOQSKCJCJGWRS-CQSZACIVSA-N 2 2 310.869 3.492 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135453 432607121 /nfs/dbraw/zinc/60/71/21/432607121.db2.gz IZNIYBAJUWAOLC-GDBMZVCRSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135453 432607124 /nfs/dbraw/zinc/60/71/24/432607124.db2.gz IZNIYBAJUWAOLC-GDBMZVCRSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177280557 432607748 /nfs/dbraw/zinc/60/77/48/432607748.db2.gz SRGBFJVOJANEHP-AWEZNQCLSA-N 2 2 308.385 3.166 20 0 DGADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177280557 432607753 /nfs/dbraw/zinc/60/77/53/432607753.db2.gz SRGBFJVOJANEHP-AWEZNQCLSA-N 2 2 308.385 3.166 20 0 DGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000195307447 432616553 /nfs/dbraw/zinc/61/65/53/432616553.db2.gz FDFRRDJFMOHLLW-UHFFFAOYSA-N 2 2 302.422 3.139 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000155917205 432580463 /nfs/dbraw/zinc/58/04/63/432580463.db2.gz QJEARRYAYFEYED-AWEZNQCLSA-N 2 2 301.434 3.140 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186323988 432583509 /nfs/dbraw/zinc/58/35/09/432583509.db2.gz GUHBLMHUCIOYJE-VKJFTORMSA-N 2 2 320.477 3.388 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1C ZINC000177117042 432587826 /nfs/dbraw/zinc/58/78/26/432587826.db2.gz LNZHQMHXXYWJGL-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1C ZINC000177117042 432587830 /nfs/dbraw/zinc/58/78/30/432587830.db2.gz LNZHQMHXXYWJGL-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177153037 432591018 /nfs/dbraw/zinc/59/10/18/432591018.db2.gz SJNKZTGQBXGGJB-QGZVFWFLSA-N 2 2 314.433 3.048 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000273432999 432598507 /nfs/dbraw/zinc/59/85/07/432598507.db2.gz XVKXKYCOXCEMGR-ZDUSSCGKSA-N 2 2 317.437 3.363 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000156690651 432604468 /nfs/dbraw/zinc/60/44/68/432604468.db2.gz IZOLEEPYMJALQI-MSOLQXFVSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000156690651 432604473 /nfs/dbraw/zinc/60/44/73/432604473.db2.gz IZOLEEPYMJALQI-MSOLQXFVSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000157462294 432621383 /nfs/dbraw/zinc/62/13/83/432621383.db2.gz SSDFWAVARHFXTI-MJGOQNOKSA-N 2 2 312.461 3.088 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000417353039 282043712 /nfs/dbraw/zinc/04/37/12/282043712.db2.gz HVBQHSOMBNHOQY-IRXDYDNUSA-N 2 2 322.880 3.114 20 0 DGADLP C[NH+](C)CC1(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC000494936801 282075481 /nfs/dbraw/zinc/07/54/81/282075481.db2.gz CKIGSETYIYFMOS-INIZCTEOSA-N 2 2 319.497 3.138 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158558518 432649460 /nfs/dbraw/zinc/64/94/60/432649460.db2.gz IBMMNINKSGEENN-SJLPKXTDSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158558518 432649463 /nfs/dbraw/zinc/64/94/63/432649463.db2.gz IBMMNINKSGEENN-SJLPKXTDSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158558518 432649468 /nfs/dbraw/zinc/64/94/68/432649468.db2.gz IBMMNINKSGEENN-SJLPKXTDSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158558518 432649474 /nfs/dbraw/zinc/64/94/74/432649474.db2.gz IBMMNINKSGEENN-SJLPKXTDSA-N 2 2 302.462 3.390 20 0 DGADLP Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000274319082 432650693 /nfs/dbraw/zinc/65/06/93/432650693.db2.gz CKCKWNXMZZTUTP-SFHVURJKSA-N 2 2 315.392 3.015 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158609914 432651457 /nfs/dbraw/zinc/65/14/57/432651457.db2.gz PHULWXNSTOOVNI-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158609914 432651460 /nfs/dbraw/zinc/65/14/60/432651460.db2.gz PHULWXNSTOOVNI-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158609914 432651463 /nfs/dbraw/zinc/65/14/63/432651463.db2.gz PHULWXNSTOOVNI-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158609914 432651467 /nfs/dbraw/zinc/65/14/67/432651467.db2.gz PHULWXNSTOOVNI-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274817051 432711673 /nfs/dbraw/zinc/71/16/73/432711673.db2.gz WWEUCAMZZRNNSE-QZTJIDSGSA-N 2 2 317.477 3.234 20 0 DGADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1Cl ZINC000274821823 432713247 /nfs/dbraw/zinc/71/32/47/432713247.db2.gz YMTJIVBDRGLQHF-HNNXBMFYSA-N 2 2 323.799 3.115 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265652508 432720111 /nfs/dbraw/zinc/72/01/11/432720111.db2.gz OVMDRVZFRBRNIU-KRWDZBQOSA-N 2 2 306.425 3.285 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265652508 432720116 /nfs/dbraw/zinc/72/01/16/432720116.db2.gz OVMDRVZFRBRNIU-KRWDZBQOSA-N 2 2 306.425 3.285 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328466 432721743 /nfs/dbraw/zinc/72/17/43/432721743.db2.gz XQAZXBZLLTUABX-MJGOQNOKSA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328466 432721749 /nfs/dbraw/zinc/72/17/49/432721749.db2.gz XQAZXBZLLTUABX-MJGOQNOKSA-N 2 2 319.493 3.115 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC000274530461 432678859 /nfs/dbraw/zinc/67/88/59/432678859.db2.gz AEIKOGCVFLJEHA-SJORKVTESA-N 2 2 316.445 3.048 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC000274530461 432678861 /nfs/dbraw/zinc/67/88/61/432678861.db2.gz AEIKOGCVFLJEHA-SJORKVTESA-N 2 2 316.445 3.048 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1OCC ZINC000178008155 432684007 /nfs/dbraw/zinc/68/40/07/432684007.db2.gz ZXHUBDXFKUWWNK-OAHLLOKOSA-N 2 2 306.450 3.230 20 0 DGADLP CCn1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC000274621231 432690768 /nfs/dbraw/zinc/69/07/68/432690768.db2.gz WSMTWFZCRAQRBY-UHFFFAOYSA-N 2 2 309.417 3.090 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000275833763 432753351 /nfs/dbraw/zinc/75/33/51/432753351.db2.gz ONQAJQVDLHYFRD-HZSPNIEDSA-N 2 2 312.417 3.277 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275833763 432753355 /nfs/dbraw/zinc/75/33/55/432753355.db2.gz ONQAJQVDLHYFRD-HZSPNIEDSA-N 2 2 312.417 3.277 20 0 DGADLP COc1cccc([C@@H](CNc2cc[nH+]c(C)n2)[NH+]2CCCC2)c1 ZINC000266174634 432754528 /nfs/dbraw/zinc/75/45/28/432754528.db2.gz SLOSBQRICQMTFP-QGZVFWFLSA-N 2 2 312.417 3.043 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000178405960 432731767 /nfs/dbraw/zinc/73/17/67/432731767.db2.gz IFZQGIKTDZAGAU-AWEZNQCLSA-N 2 2 311.433 3.473 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000178428842 432734638 /nfs/dbraw/zinc/73/46/38/432734638.db2.gz VBOVXCOTDXCKIO-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000178428842 432734642 /nfs/dbraw/zinc/73/46/42/432734642.db2.gz VBOVXCOTDXCKIO-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP COC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000275699090 432743605 /nfs/dbraw/zinc/74/36/05/432743605.db2.gz LFVBJFOUCNZYDB-LJQANCHMSA-N 2 2 313.445 3.226 20 0 DGADLP C[C@@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162262641 432818356 /nfs/dbraw/zinc/81/83/56/432818356.db2.gz RVNUEGWDARUUHU-MCPYQZEQSA-N 2 2 301.478 3.460 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000276596699 432820803 /nfs/dbraw/zinc/82/08/03/432820803.db2.gz ANMWKXHUDKBYLQ-PBHICJAKSA-N 2 2 301.434 3.318 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000162465386 432824384 /nfs/dbraw/zinc/82/43/84/432824384.db2.gz VFNSWRRDARLTAP-INIZCTEOSA-N 3 2 312.461 3.317 20 0 DGADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000267329833 432833065 /nfs/dbraw/zinc/83/30/65/432833065.db2.gz BNBNZTBYHCCKMP-CYBMUJFWSA-N 2 2 302.809 3.013 20 0 DGADLP C[C@@H](CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1)c1ccccc1 ZINC000237446903 432787327 /nfs/dbraw/zinc/78/73/27/432787327.db2.gz AUECHJUMUPCRSA-INIZCTEOSA-N 2 2 310.445 3.049 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000276254739 432788889 /nfs/dbraw/zinc/78/88/89/432788889.db2.gz QBSXZTCZWYHODH-IAGOWNOFSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000276254739 432788892 /nfs/dbraw/zinc/78/88/92/432788892.db2.gz QBSXZTCZWYHODH-IAGOWNOFSA-N 2 2 313.445 3.378 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)Cn1cc[nH+]c1 ZINC000178992851 432793865 /nfs/dbraw/zinc/79/38/65/432793865.db2.gz RAVJQJXKHRPMIW-NSHDSACASA-N 2 2 313.323 3.050 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000276461375 432811042 /nfs/dbraw/zinc/81/10/42/432811042.db2.gz WPGOKHWTCYYXPB-HYVNUMGLSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000276461375 432811043 /nfs/dbraw/zinc/81/10/43/432811043.db2.gz WPGOKHWTCYYXPB-HYVNUMGLSA-N 2 2 313.445 3.377 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277603871 432864097 /nfs/dbraw/zinc/86/40/97/432864097.db2.gz FIGPAAOABUDNHD-CYBMUJFWSA-N 2 2 315.383 3.264 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277603871 432864098 /nfs/dbraw/zinc/86/40/98/432864098.db2.gz FIGPAAOABUDNHD-CYBMUJFWSA-N 2 2 315.383 3.264 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1n1cc[nH+]c1 ZINC000277746893 432874115 /nfs/dbraw/zinc/87/41/15/432874115.db2.gz PHVPNWKACTVDOO-IUODEOHRSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1n1cc[nH+]c1 ZINC000277746893 432874116 /nfs/dbraw/zinc/87/41/16/432874116.db2.gz PHVPNWKACTVDOO-IUODEOHRSA-N 2 2 324.350 3.380 20 0 DGADLP CCn1cc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC000296213370 432884112 /nfs/dbraw/zinc/88/41/12/432884112.db2.gz ZVBNRNIYWDULHW-UHFFFAOYSA-N 2 2 315.808 3.032 20 0 DGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1 ZINC000296241876 432887624 /nfs/dbraw/zinc/88/76/24/432887624.db2.gz COAVVDHMXBQORF-HMQMGEFJSA-N 2 2 308.853 3.242 20 0 DGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000296241876 432887626 /nfs/dbraw/zinc/88/76/26/432887626.db2.gz COAVVDHMXBQORF-HMQMGEFJSA-N 2 2 308.853 3.242 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000245574253 432846940 /nfs/dbraw/zinc/84/69/40/432846940.db2.gz DGUUGFNHHMFMLF-NJYVYQBISA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000245574253 432846942 /nfs/dbraw/zinc/84/69/42/432846942.db2.gz DGUUGFNHHMFMLF-NJYVYQBISA-N 2 2 324.468 3.363 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000163402189 432851084 /nfs/dbraw/zinc/85/10/84/432851084.db2.gz KFOUHOBCPIZFTD-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000163402189 432851086 /nfs/dbraw/zinc/85/10/86/432851086.db2.gz KFOUHOBCPIZFTD-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000245640227 432851569 /nfs/dbraw/zinc/85/15/69/432851569.db2.gz DEZOWZXMSHSXOB-HKUYNNGSSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000245640227 432851570 /nfs/dbraw/zinc/85/15/70/432851570.db2.gz DEZOWZXMSHSXOB-HKUYNNGSSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000245640227 432851574 /nfs/dbraw/zinc/85/15/74/432851574.db2.gz DEZOWZXMSHSXOB-HKUYNNGSSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000245640227 432851577 /nfs/dbraw/zinc/85/15/77/432851577.db2.gz DEZOWZXMSHSXOB-HKUYNNGSSA-N 2 2 324.472 3.003 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277447679 432851758 /nfs/dbraw/zinc/85/17/58/432851758.db2.gz GABQARKFRFRQEN-YJBOKZPZSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277447679 432851760 /nfs/dbraw/zinc/85/17/60/432851760.db2.gz GABQARKFRFRQEN-YJBOKZPZSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277447676 432851806 /nfs/dbraw/zinc/85/18/06/432851806.db2.gz GABQARKFRFRQEN-CRAIPNDOSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000277447676 432851810 /nfs/dbraw/zinc/85/18/10/432851810.db2.gz GABQARKFRFRQEN-CRAIPNDOSA-N 2 2 315.461 3.010 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000277535805 432858938 /nfs/dbraw/zinc/85/89/38/432858938.db2.gz QBCDNKKHRNERBG-ZDUSSCGKSA-N 2 2 316.367 3.343 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000277535805 432858940 /nfs/dbraw/zinc/85/89/40/432858940.db2.gz QBCDNKKHRNERBG-ZDUSSCGKSA-N 2 2 316.367 3.343 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1Cn1cccn1 ZINC000289217967 432934988 /nfs/dbraw/zinc/93/49/88/432934988.db2.gz JDJJCUMJCPGLGT-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP C[C@@H](O)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000279148185 432939577 /nfs/dbraw/zinc/93/95/77/432939577.db2.gz SNRFTZQKQIYOLB-CQSZACIVSA-N 2 2 310.869 3.055 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000289347752 432946990 /nfs/dbraw/zinc/94/69/90/432946990.db2.gz WYMHWHGGFQQECA-SFHVURJKSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000296343350 432898022 /nfs/dbraw/zinc/89/80/22/432898022.db2.gz HCTDAVNPKRCENR-UHOFOFEASA-N 2 2 318.852 3.435 20 0 DGADLP COCC1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000296505673 432916295 /nfs/dbraw/zinc/91/62/95/432916295.db2.gz REEOVGOHBZXPQV-UHFFFAOYSA-N 2 2 313.445 3.226 20 0 DGADLP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CCCC2)o1 ZINC000349452064 432964438 /nfs/dbraw/zinc/96/44/38/432964438.db2.gz NJLYJSTVMMAGGF-LJQANCHMSA-N 2 2 320.477 3.256 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000297239780 432979604 /nfs/dbraw/zinc/97/96/04/432979604.db2.gz ILOVMAPUMBMYGW-KGLIPLIRSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000297239780 432979608 /nfs/dbraw/zinc/97/96/08/432979608.db2.gz ILOVMAPUMBMYGW-KGLIPLIRSA-N 3 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@@H+]1C ZINC000297239780 432979613 /nfs/dbraw/zinc/97/96/13/432979613.db2.gz ILOVMAPUMBMYGW-KGLIPLIRSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239780 432979618 /nfs/dbraw/zinc/97/96/18/432979618.db2.gz ILOVMAPUMBMYGW-KGLIPLIRSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000349724049 432998026 /nfs/dbraw/zinc/99/80/26/432998026.db2.gz SQRCPUGAKWVSOB-JYYRGQEPSA-N 2 2 318.436 3.261 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000349724049 432998029 /nfs/dbraw/zinc/99/80/29/432998029.db2.gz SQRCPUGAKWVSOB-JYYRGQEPSA-N 2 2 318.436 3.261 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000290130647 432998538 /nfs/dbraw/zinc/99/85/38/432998538.db2.gz LRJLWCQXLZEZKP-HXUWFJFHSA-N 2 2 321.424 3.465 20 0 DGADLP CCOC(=O)N[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)CC(C)C ZINC000289373608 432951009 /nfs/dbraw/zinc/95/10/09/432951009.db2.gz AQBTUIFUIQQUKJ-QGZVFWFLSA-N 2 2 321.465 3.073 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1Cl ZINC000289400039 432955629 /nfs/dbraw/zinc/95/56/29/432955629.db2.gz GISAQJOMOJLZLE-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1Cl ZINC000289400039 432955630 /nfs/dbraw/zinc/95/56/30/432955630.db2.gz GISAQJOMOJLZLE-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccncc4)C3)cn2)c[nH+]1 ZINC000289415369 432956088 /nfs/dbraw/zinc/95/60/88/432956088.db2.gz UCWMMKXISKUNGV-GOSISDBHSA-N 2 2 319.412 3.042 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4ccncc4)C3)cn2)c[nH+]1 ZINC000289415369 432956091 /nfs/dbraw/zinc/95/60/91/432956091.db2.gz UCWMMKXISKUNGV-GOSISDBHSA-N 2 2 319.412 3.042 20 0 DGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc2c(c1)CCC(=O)N2 ZINC000289413326 432957171 /nfs/dbraw/zinc/95/71/71/432957171.db2.gz IDWQTTQZTJXNHG-ZDUSSCGKSA-N 2 2 320.396 3.070 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280135039 433003298 /nfs/dbraw/zinc/00/32/98/433003298.db2.gz WVJPMZNIIRJHFA-INIZCTEOSA-N 2 2 312.417 3.198 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280135039 433003300 /nfs/dbraw/zinc/00/33/00/433003300.db2.gz WVJPMZNIIRJHFA-INIZCTEOSA-N 2 2 312.417 3.198 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000349761690 433005037 /nfs/dbraw/zinc/00/50/37/433005037.db2.gz YVULASMUGKSNMQ-LJQANCHMSA-N 2 2 304.397 3.102 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CC[NH+](C4CCCC4)CC3)n2c1 ZINC000349802566 433012893 /nfs/dbraw/zinc/01/28/93/433012893.db2.gz UFNQXRGEFJYYPI-UHFFFAOYSA-N 2 2 318.852 3.048 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[NH+](C4CCCCC4)CC3)n21 ZINC000349816313 433014660 /nfs/dbraw/zinc/01/46/60/433014660.db2.gz LTWPFWVELJHFOS-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CN(Cc1c[nH+]c2ccccn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349818726 433015730 /nfs/dbraw/zinc/01/57/30/433015730.db2.gz LYSUOVRPCIMVGM-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP CN(Cc1c[nH+]c2ccccn12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349818726 433015733 /nfs/dbraw/zinc/01/57/33/433015733.db2.gz LYSUOVRPCIMVGM-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccc(Cl)cn1 ZINC000290229142 433016348 /nfs/dbraw/zinc/01/63/48/433016348.db2.gz FSIIRQKRCDXLPV-UHFFFAOYSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccon1 ZINC000349827766 433017505 /nfs/dbraw/zinc/01/75/05/433017505.db2.gz DKIWLVLJDCJEEE-ITQYTPKQSA-N 2 2 311.429 3.236 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccon1 ZINC000349827766 433017510 /nfs/dbraw/zinc/01/75/10/433017510.db2.gz DKIWLVLJDCJEEE-ITQYTPKQSA-N 2 2 311.429 3.236 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000349846549 433019890 /nfs/dbraw/zinc/01/98/90/433019890.db2.gz CKLUSZZYNPANIC-GOSISDBHSA-N 2 2 304.478 3.239 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000349846549 433019894 /nfs/dbraw/zinc/01/98/94/433019894.db2.gz CKLUSZZYNPANIC-GOSISDBHSA-N 2 2 304.478 3.239 20 0 DGADLP CCO[C@H](CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000341310457 433022724 /nfs/dbraw/zinc/02/27/24/433022724.db2.gz NBACFMJRZROLJX-LJQANCHMSA-N 2 2 319.493 3.087 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1N1CCCC1 ZINC000290337011 433034873 /nfs/dbraw/zinc/03/48/73/433034873.db2.gz FDSVIRIUZOPCLU-UHFFFAOYSA-N 2 2 316.424 3.145 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1N1CCCC1 ZINC000290337011 433034877 /nfs/dbraw/zinc/03/48/77/433034877.db2.gz FDSVIRIUZOPCLU-UHFFFAOYSA-N 2 2 316.424 3.145 20 0 DGADLP COc1ccc(C[C@@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1F ZINC000290335491 433035157 /nfs/dbraw/zinc/03/51/57/433035157.db2.gz FBDPNRIOHRRSIK-OAHLLOKOSA-N 2 2 319.424 3.232 20 0 DGADLP COc1ccc(C[C@@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1F ZINC000290335491 433035160 /nfs/dbraw/zinc/03/51/60/433035160.db2.gz FBDPNRIOHRRSIK-OAHLLOKOSA-N 2 2 319.424 3.232 20 0 DGADLP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341355358 433036704 /nfs/dbraw/zinc/03/67/04/433036704.db2.gz ABVLNZUJANLEBG-MRXNPFEDSA-N 2 2 313.445 3.250 20 0 DGADLP Cc1cc(F)ccc1C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000298031095 433043246 /nfs/dbraw/zinc/04/32/46/433043246.db2.gz FYOSOPKNIBPBEL-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000290432435 433049967 /nfs/dbraw/zinc/04/99/67/433049967.db2.gz LJNZYEIMOMVTQK-UHFFFAOYSA-N 2 2 317.824 3.015 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000290432435 433049973 /nfs/dbraw/zinc/04/99/73/433049973.db2.gz LJNZYEIMOMVTQK-UHFFFAOYSA-N 2 2 317.824 3.015 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000290434509 433052806 /nfs/dbraw/zinc/05/28/06/433052806.db2.gz RWCCTEGULOIGDK-KZNAEPCWSA-N 2 2 300.446 3.260 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453294925 433068265 /nfs/dbraw/zinc/06/82/65/433068265.db2.gz RHIIXCUFYTWMGE-PKOBYXMFSA-N 2 2 316.489 3.117 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453294925 433068267 /nfs/dbraw/zinc/06/82/67/433068267.db2.gz RHIIXCUFYTWMGE-PKOBYXMFSA-N 2 2 316.489 3.117 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297679 433068853 /nfs/dbraw/zinc/06/88/53/433068853.db2.gz VHFIXUUBTUDYFG-KDOFPFPSSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297679 433068864 /nfs/dbraw/zinc/06/88/64/433068864.db2.gz VHFIXUUBTUDYFG-KDOFPFPSSA-N 2 2 322.880 3.154 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)n1C ZINC000419737506 433065716 /nfs/dbraw/zinc/06/57/16/433065716.db2.gz YHOMDUIQCLGMRF-ZIAGYGMSSA-N 2 2 316.424 3.051 20 0 DGADLP FC(F)(F)c1cncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000361312540 433099211 /nfs/dbraw/zinc/09/92/11/433099211.db2.gz GMYAJYWEFXYLKR-HNNXBMFYSA-N 2 2 323.318 3.149 20 0 DGADLP FC(F)(F)c1cncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000361312540 433099214 /nfs/dbraw/zinc/09/92/14/433099214.db2.gz GMYAJYWEFXYLKR-HNNXBMFYSA-N 2 2 323.318 3.149 20 0 DGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341459427 433071572 /nfs/dbraw/zinc/07/15/72/433071572.db2.gz NUVRWUXOCLESJL-FQEVSTJZSA-N 2 2 307.441 3.323 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCN(C)C[C@H]1C ZINC000361280901 433078354 /nfs/dbraw/zinc/07/83/54/433078354.db2.gz LTGSVGJDBFDWPU-MRXNPFEDSA-N 2 2 314.477 3.151 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCN(C)C[C@H]1C ZINC000361280901 433078362 /nfs/dbraw/zinc/07/83/62/433078362.db2.gz LTGSVGJDBFDWPU-MRXNPFEDSA-N 2 2 314.477 3.151 20 0 DGADLP CC[NH+]1CCC(Nc2cc(COC)[nH+]c3ccc(F)cc23)CC1 ZINC000290526225 433080151 /nfs/dbraw/zinc/08/01/51/433080151.db2.gz NKPZRVPXOFGOKJ-UHFFFAOYSA-N 2 2 317.408 3.417 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+]CCCc2c[nH+]ccc2C)cs1 ZINC000290530373 433085161 /nfs/dbraw/zinc/08/51/61/433085161.db2.gz YCIDVINJEYZZHQ-CYBMUJFWSA-N 2 2 305.447 3.276 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000280566354 433087671 /nfs/dbraw/zinc/08/76/71/433087671.db2.gz LJGVVTUMRZAWKU-FUHWJXTLSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000280566354 433087682 /nfs/dbraw/zinc/08/76/82/433087682.db2.gz LJGVVTUMRZAWKU-FUHWJXTLSA-N 2 2 313.489 3.118 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373108413 433089937 /nfs/dbraw/zinc/08/99/37/433089937.db2.gz BFSJXRJYBRDCGY-HNNXBMFYSA-N 2 2 321.428 3.051 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373108413 433089948 /nfs/dbraw/zinc/08/99/48/433089948.db2.gz BFSJXRJYBRDCGY-HNNXBMFYSA-N 2 2 321.428 3.051 20 0 DGADLP Cc1cccc(C[N@@H+](CCc2c[nH+]cn2C)Cc2ccccn2)c1 ZINC000298330785 433096438 /nfs/dbraw/zinc/09/64/38/433096438.db2.gz IUFZMYJNJMEJDF-UHFFFAOYSA-N 2 2 320.440 3.368 20 0 DGADLP Cc1cccc(C[N@H+](CCc2c[nH+]cn2C)Cc2ccccn2)c1 ZINC000298330785 433096449 /nfs/dbraw/zinc/09/64/49/433096449.db2.gz IUFZMYJNJMEJDF-UHFFFAOYSA-N 2 2 320.440 3.368 20 0 DGADLP CCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000290561712 433096451 /nfs/dbraw/zinc/09/64/51/433096451.db2.gz SKGCXNODKCJBPR-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP CCCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000290561712 433096462 /nfs/dbraw/zinc/09/64/62/433096462.db2.gz SKGCXNODKCJBPR-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP Cn1c[nH+]c2cc(N[C@H](c3[nH]cc[nH+]3)c3ccccc3)ccc21 ZINC000446915725 433127725 /nfs/dbraw/zinc/12/77/25/433127725.db2.gz XIEJSURZZCWFJF-KRWDZBQOSA-N 2 2 303.369 3.498 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420228668 433128291 /nfs/dbraw/zinc/12/82/91/433128291.db2.gz LSMGTQBFTGWQRZ-ZNMIVQPWSA-N 2 2 316.493 3.461 20 0 DGADLP O[C@@H](CNc1cc[nH+]c2c(Cl)cccc12)C[NH+]1CCCCC1 ZINC000341557197 433130486 /nfs/dbraw/zinc/13/04/86/433130486.db2.gz BRZWUOGDVOXSAH-ZDUSSCGKSA-N 2 2 319.836 3.147 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937037 433133545 /nfs/dbraw/zinc/13/35/45/433133545.db2.gz BGQYIVZBETUMDI-UXPWSPDFSA-N 2 2 316.489 3.444 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937037 433133555 /nfs/dbraw/zinc/13/35/55/433133555.db2.gz BGQYIVZBETUMDI-UXPWSPDFSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000361390434 433147334 /nfs/dbraw/zinc/14/73/34/433147334.db2.gz MCJODTSRZVBRCN-RTBURBONSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000361390434 433147338 /nfs/dbraw/zinc/14/73/38/433147338.db2.gz MCJODTSRZVBRCN-RTBURBONSA-N 2 2 315.461 3.360 20 0 DGADLP [NH3+]C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420294248 433148429 /nfs/dbraw/zinc/14/84/29/433148429.db2.gz OFZAZOFHQVWRJG-LLVKDONJSA-N 2 2 307.850 3.244 20 0 DGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420294248 433148439 /nfs/dbraw/zinc/14/84/39/433148439.db2.gz OFZAZOFHQVWRJG-LLVKDONJSA-N 2 2 307.850 3.244 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453395666 433152225 /nfs/dbraw/zinc/15/22/25/433152225.db2.gz HCIJOGVKSXSRTG-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453395666 433152233 /nfs/dbraw/zinc/15/22/33/433152233.db2.gz HCIJOGVKSXSRTG-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc([C@H](CNc2cc(C)[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000341523062 433112312 /nfs/dbraw/zinc/11/23/12/433112312.db2.gz WGAQUQUQPLVXHV-KRWDZBQOSA-N 2 2 310.445 3.686 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC000446846545 433118908 /nfs/dbraw/zinc/11/89/08/433118908.db2.gz BCJBVKARONVVCC-GVDBMIGSSA-N 2 2 324.509 3.066 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC000446846545 433118921 /nfs/dbraw/zinc/11/89/21/433118921.db2.gz BCJBVKARONVVCC-GVDBMIGSSA-N 2 2 324.509 3.066 20 0 DGADLP COC1CCC(CC[NH2+]Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000350223731 433119223 /nfs/dbraw/zinc/11/92/23/433119223.db2.gz MPTWOPWPTUZKMJ-UHFFFAOYSA-N 2 2 301.434 3.328 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2nnc(C(C)(C)C)s2)c[nH+]1 ZINC000354509280 433119250 /nfs/dbraw/zinc/11/92/50/433119250.db2.gz UCMFDPMHPRFHKM-UHFFFAOYSA-N 2 2 304.463 3.261 20 0 DGADLP CCCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1OC ZINC000290627121 433120065 /nfs/dbraw/zinc/12/00/65/433120065.db2.gz XRAJDQNRQPYCKC-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP COCC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304176 433155600 /nfs/dbraw/zinc/15/56/00/433155600.db2.gz LEBQUUZBJWTDJG-NEPJUHHUSA-N 2 2 304.356 3.062 20 0 DGADLP COCC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304176 433155605 /nfs/dbraw/zinc/15/56/05/433155605.db2.gz LEBQUUZBJWTDJG-NEPJUHHUSA-N 2 2 304.356 3.062 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000425323282 433160255 /nfs/dbraw/zinc/16/02/55/433160255.db2.gz IVHXOUTUWONMOU-ZACQAIPSSA-N 2 2 304.482 3.301 20 0 DGADLP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000420317441 433161401 /nfs/dbraw/zinc/16/14/01/433161401.db2.gz MZJJUTNCEMMAOS-OAHLLOKOSA-N 2 2 304.825 3.216 20 0 DGADLP [NH3+]CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000420317441 433161407 /nfs/dbraw/zinc/16/14/07/433161407.db2.gz MZJJUTNCEMMAOS-OAHLLOKOSA-N 2 2 304.825 3.216 20 0 DGADLP Cc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(C)n1 ZINC000420312104 433162783 /nfs/dbraw/zinc/16/27/83/433162783.db2.gz OHUROABZDQICOK-HXUWFJFHSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c(C)n1 ZINC000420312104 433162789 /nfs/dbraw/zinc/16/27/89/433162789.db2.gz OHUROABZDQICOK-HXUWFJFHSA-N 2 2 324.472 3.238 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000420329415 433165294 /nfs/dbraw/zinc/16/52/94/433165294.db2.gz GSAWYPRWJSQNSN-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000420329415 433165302 /nfs/dbraw/zinc/16/53/02/433165302.db2.gz GSAWYPRWJSQNSN-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC000280762652 433165686 /nfs/dbraw/zinc/16/56/86/433165686.db2.gz DPSAADNCYBZIES-RRFJBIMHSA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000280762652 433165690 /nfs/dbraw/zinc/16/56/90/433165690.db2.gz DPSAADNCYBZIES-RRFJBIMHSA-N 2 2 320.477 3.268 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000354582944 433166267 /nfs/dbraw/zinc/16/62/67/433166267.db2.gz ICFDIOSSBNEYRR-JKSUJKDBSA-N 2 2 315.461 3.301 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000420329417 433168113 /nfs/dbraw/zinc/16/81/13/433168113.db2.gz GSAWYPRWJSQNSN-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000420329417 433168118 /nfs/dbraw/zinc/16/81/18/433168118.db2.gz GSAWYPRWJSQNSN-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453419519 433173159 /nfs/dbraw/zinc/17/31/59/433173159.db2.gz JOCSDPLSJUQGSP-MRXNPFEDSA-N 3 2 312.461 3.397 20 0 DGADLP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453419519 433173167 /nfs/dbraw/zinc/17/31/67/433173167.db2.gz JOCSDPLSJUQGSP-MRXNPFEDSA-N 3 2 312.461 3.397 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000425336739 433173787 /nfs/dbraw/zinc/17/37/87/433173787.db2.gz LTBWBAIPONEHQR-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000425336739 433173796 /nfs/dbraw/zinc/17/37/96/433173796.db2.gz LTBWBAIPONEHQR-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1cncc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000425336739 433173804 /nfs/dbraw/zinc/17/38/04/433173804.db2.gz LTBWBAIPONEHQR-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1cncc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000425336739 433173812 /nfs/dbraw/zinc/17/38/12/433173812.db2.gz LTBWBAIPONEHQR-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1cncc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000425336739 433173821 /nfs/dbraw/zinc/17/38/21/433173821.db2.gz LTBWBAIPONEHQR-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1cncc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000425336739 433173827 /nfs/dbraw/zinc/17/38/27/433173827.db2.gz LTBWBAIPONEHQR-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000420363936 433181136 /nfs/dbraw/zinc/18/11/36/433181136.db2.gz OLAIOOWISMBNLK-OAHLLOKOSA-N 2 2 319.449 3.427 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363376 433183101 /nfs/dbraw/zinc/18/31/01/433183101.db2.gz HYFGTQHKSHWVDS-DNVCBOLYSA-N 2 2 311.429 3.478 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363376 433183108 /nfs/dbraw/zinc/18/31/08/433183108.db2.gz HYFGTQHKSHWVDS-DNVCBOLYSA-N 2 2 311.429 3.478 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000420365979 433184296 /nfs/dbraw/zinc/18/42/96/433184296.db2.gz QPLNQFUEIQUWHR-OAHLLOKOSA-N 2 2 321.371 3.098 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453440290 433186614 /nfs/dbraw/zinc/18/66/14/433186614.db2.gz WOOXHWMRAJATDY-SJXGUFTOSA-N 2 2 306.475 3.041 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453440290 433186624 /nfs/dbraw/zinc/18/66/24/433186624.db2.gz WOOXHWMRAJATDY-SJXGUFTOSA-N 2 2 306.475 3.041 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCC3CCOCC3)C2)cc1 ZINC000336718190 433187187 /nfs/dbraw/zinc/18/71/87/433187187.db2.gz RDBUCTWNVYANNT-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCC3CCOCC3)C2)cc1 ZINC000336718190 433187197 /nfs/dbraw/zinc/18/71/97/433187197.db2.gz RDBUCTWNVYANNT-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420378903 433188131 /nfs/dbraw/zinc/18/81/31/433188131.db2.gz QTPAGVGQRKUPQE-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420378903 433188137 /nfs/dbraw/zinc/18/81/37/433188137.db2.gz QTPAGVGQRKUPQE-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376041 433188959 /nfs/dbraw/zinc/18/89/59/433188959.db2.gz AERHPJPRENRKHJ-WMZOPIPTSA-N 2 2 311.429 3.306 20 0 DGADLP c1c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376041 433188967 /nfs/dbraw/zinc/18/89/67/433188967.db2.gz AERHPJPRENRKHJ-WMZOPIPTSA-N 2 2 311.429 3.306 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387987 433191831 /nfs/dbraw/zinc/19/18/31/433191831.db2.gz GTCWANIIZZKOBV-BBRMVZONSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387987 433191841 /nfs/dbraw/zinc/19/18/41/433191841.db2.gz GTCWANIIZZKOBV-BBRMVZONSA-N 2 2 308.853 3.313 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)n1 ZINC000420382909 433193681 /nfs/dbraw/zinc/19/36/81/433193681.db2.gz ZBXJHXLLVKZFEP-CQSZACIVSA-N 2 2 302.422 3.140 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)co1 ZINC000420387680 433193939 /nfs/dbraw/zinc/19/39/39/433193939.db2.gz GLNXWIICQQEWIV-BBRMVZONSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)co1 ZINC000420387680 433193946 /nfs/dbraw/zinc/19/39/46/433193946.db2.gz GLNXWIICQQEWIV-BBRMVZONSA-N 2 2 317.458 3.367 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420398650 433196278 /nfs/dbraw/zinc/19/62/78/433196278.db2.gz NMSFUEUULXUNOD-UONOGXRCSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420398650 433196284 /nfs/dbraw/zinc/19/62/84/433196284.db2.gz NMSFUEUULXUNOD-UONOGXRCSA-N 2 2 307.507 3.405 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)o1 ZINC000420414171 433200055 /nfs/dbraw/zinc/20/00/55/433200055.db2.gz UKQCCLFLWGGLCL-WCQYABFASA-N 2 2 305.447 3.128 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)o1 ZINC000420414171 433200062 /nfs/dbraw/zinc/20/00/62/433200062.db2.gz UKQCCLFLWGGLCL-WCQYABFASA-N 2 2 305.447 3.128 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420413155 433200209 /nfs/dbraw/zinc/20/02/09/433200209.db2.gz SRFQVRHLORKYFH-ZBFHGGJFSA-N 2 2 315.486 3.151 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420413155 433200217 /nfs/dbraw/zinc/20/02/17/433200217.db2.gz SRFQVRHLORKYFH-ZBFHGGJFSA-N 2 2 315.486 3.151 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420407848 433200599 /nfs/dbraw/zinc/20/05/99/433200599.db2.gz VOECQKQTXKCOND-HOCLYGCPSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420407848 433200609 /nfs/dbraw/zinc/20/06/09/433200609.db2.gz VOECQKQTXKCOND-HOCLYGCPSA-N 2 2 307.507 3.450 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000425388216 433217859 /nfs/dbraw/zinc/21/78/59/433217859.db2.gz WEBJHYYRCMTTOE-QGZVFWFLSA-N 2 2 310.445 3.101 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000425388216 433217865 /nfs/dbraw/zinc/21/78/65/433217865.db2.gz WEBJHYYRCMTTOE-QGZVFWFLSA-N 2 2 310.445 3.101 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000447569806 433230599 /nfs/dbraw/zinc/23/05/99/433230599.db2.gz DLBXPJLNJNEGIW-ZOWXZIJZSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000447569806 433230608 /nfs/dbraw/zinc/23/06/08/433230608.db2.gz DLBXPJLNJNEGIW-ZOWXZIJZSA-N 2 2 311.267 3.440 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](C(C)C)C3(CO)CCCC3)c[nH+]c12 ZINC000453610409 433233793 /nfs/dbraw/zinc/23/37/93/433233793.db2.gz HEGVRIWVILOVQJ-QGZVFWFLSA-N 2 2 315.461 3.310 20 0 DGADLP Cc1cc[nH+]c(NC2CCC([NH+](C)C)CC2)c1Br ZINC000420625652 433234652 /nfs/dbraw/zinc/23/46/52/433234652.db2.gz LBOKAPVQRXHVHX-UHFFFAOYSA-N 2 2 312.255 3.437 20 0 DGADLP CCc1nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc(C)[nH+]1 ZINC000341854733 433319056 /nfs/dbraw/zinc/31/90/56/433319056.db2.gz TVMXANJIXZACRB-QGZVFWFLSA-N 2 2 316.493 3.296 20 0 DGADLP CC[C@@H](CSC)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420928343 433323520 /nfs/dbraw/zinc/32/35/20/433323520.db2.gz CSCCDQPFZGDARP-SFHVURJKSA-N 2 2 322.518 3.092 20 0 DGADLP CC[C@@H](CSC)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420928343 433323527 /nfs/dbraw/zinc/32/35/27/433323527.db2.gz CSCCDQPFZGDARP-SFHVURJKSA-N 2 2 322.518 3.092 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000422758924 289737178 /nfs/dbraw/zinc/73/71/78/289737178.db2.gz JQWQESCHSFCOEG-QMMLZNLJSA-N 2 2 324.468 3.327 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447828711 433294098 /nfs/dbraw/zinc/29/40/98/433294098.db2.gz GEFAARRAGQNLFM-SFHVURJKSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447828711 433294111 /nfs/dbraw/zinc/29/41/11/433294111.db2.gz GEFAARRAGQNLFM-SFHVURJKSA-N 2 2 313.445 3.428 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000420902980 433301558 /nfs/dbraw/zinc/30/15/58/433301558.db2.gz AJXCLJIRIBITDA-UXHICEINSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000420902980 433301565 /nfs/dbraw/zinc/30/15/65/433301565.db2.gz AJXCLJIRIBITDA-UXHICEINSA-N 2 2 314.473 3.283 20 0 DGADLP CC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420908526 433308682 /nfs/dbraw/zinc/30/86/82/433308682.db2.gz WXLWGBBIKGUZJV-QGZVFWFLSA-N 2 2 302.462 3.141 20 0 DGADLP CC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420908526 433308692 /nfs/dbraw/zinc/30/86/92/433308692.db2.gz WXLWGBBIKGUZJV-QGZVFWFLSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C[NH+](C)C ZINC000291677524 433310069 /nfs/dbraw/zinc/31/00/69/433310069.db2.gz HFLHHQHASMMTJZ-HNNXBMFYSA-N 3 2 323.912 3.092 20 0 DGADLP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917752 433311533 /nfs/dbraw/zinc/31/15/33/433311533.db2.gz TYYXMAYPMHRMDH-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917752 433311539 /nfs/dbraw/zinc/31/15/39/433311539.db2.gz TYYXMAYPMHRMDH-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895908 433347093 /nfs/dbraw/zinc/34/70/93/433347093.db2.gz MXEVKRUTKYKZLV-RBUKOAKNSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895908 433347095 /nfs/dbraw/zinc/34/70/95/433347095.db2.gz MXEVKRUTKYKZLV-RBUKOAKNSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341895908 433347097 /nfs/dbraw/zinc/34/70/97/433347097.db2.gz MXEVKRUTKYKZLV-RBUKOAKNSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341895908 433347099 /nfs/dbraw/zinc/34/70/99/433347099.db2.gz MXEVKRUTKYKZLV-RBUKOAKNSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H](C1CCC1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912175 433355103 /nfs/dbraw/zinc/35/51/03/433355103.db2.gz WDRVGECRKNKONU-FXAWDEMLSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](C1CCC1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912175 433355113 /nfs/dbraw/zinc/35/51/13/433355113.db2.gz WDRVGECRKNKONU-FXAWDEMLSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](C1CCC1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341912175 433355123 /nfs/dbraw/zinc/35/51/23/433355123.db2.gz WDRVGECRKNKONU-FXAWDEMLSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](C1CCC1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341912175 433355133 /nfs/dbraw/zinc/35/51/33/433355133.db2.gz WDRVGECRKNKONU-FXAWDEMLSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414047526 433361951 /nfs/dbraw/zinc/36/19/51/433361951.db2.gz CDOHXTNANDZCAI-MRXNPFEDSA-N 2 2 324.472 3.145 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341869376 433327061 /nfs/dbraw/zinc/32/70/61/433327061.db2.gz APOJNIGRBNGEPD-CEXWTWQISA-N 2 2 302.462 3.056 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341869376 433327072 /nfs/dbraw/zinc/32/70/72/433327072.db2.gz APOJNIGRBNGEPD-CEXWTWQISA-N 2 2 302.462 3.056 20 0 DGADLP c1cc(C[NH+](CC2CC2)CC2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000420937577 433333458 /nfs/dbraw/zinc/33/34/58/433333458.db2.gz OKYZILYIYFVMPX-UHFFFAOYSA-N 2 2 314.473 3.141 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CCC2 ZINC000339068491 433340451 /nfs/dbraw/zinc/34/04/51/433340451.db2.gz QOQJMHRSJYSGAD-ZWKOTPCHSA-N 2 2 304.503 3.399 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896551 433343880 /nfs/dbraw/zinc/34/38/80/433343880.db2.gz OKCAOPKSNXFANH-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896551 433343889 /nfs/dbraw/zinc/34/38/89/433343889.db2.gz OKCAOPKSNXFANH-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896551 433343897 /nfs/dbraw/zinc/34/38/97/433343897.db2.gz OKCAOPKSNXFANH-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341896551 433343907 /nfs/dbraw/zinc/34/39/07/433343907.db2.gz OKCAOPKSNXFANH-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP CC[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301146707 433433584 /nfs/dbraw/zinc/43/35/84/433433584.db2.gz BBSPDGZSRBJJAX-UHFFFAOYSA-N 2 2 320.234 3.139 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000339141319 433387217 /nfs/dbraw/zinc/38/72/17/433387217.db2.gz SCEFBEMOQLNIQM-PMACEKPBSA-N 2 2 321.468 3.208 20 0 DGADLP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425968239 433390516 /nfs/dbraw/zinc/39/05/16/433390516.db2.gz RYJGFYXQQBSRPT-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425968239 433390525 /nfs/dbraw/zinc/39/05/25/433390525.db2.gz RYJGFYXQQBSRPT-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425968239 433390536 /nfs/dbraw/zinc/39/05/36/433390536.db2.gz RYJGFYXQQBSRPT-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425968239 433390547 /nfs/dbraw/zinc/39/05/47/433390547.db2.gz RYJGFYXQQBSRPT-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Fc1cncc([C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C2CC2)c1 ZINC000281825769 433397515 /nfs/dbraw/zinc/39/75/15/433397515.db2.gz ZXQHCHNGDWWMQI-MSOLQXFVSA-N 2 2 303.425 3.278 20 0 DGADLP Fc1cncc([C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C2CC2)c1 ZINC000281825769 433397529 /nfs/dbraw/zinc/39/75/29/433397529.db2.gz ZXQHCHNGDWWMQI-MSOLQXFVSA-N 2 2 303.425 3.278 20 0 DGADLP Cc1cc(N2CC[NH+](C3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301058371 433398226 /nfs/dbraw/zinc/39/82/26/433398226.db2.gz AOSGKOWUYLCLMH-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1cccc(C[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000301070397 433400497 /nfs/dbraw/zinc/40/04/97/433400497.db2.gz IPJRXEYUSGYMEL-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP Cc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301101793 433412574 /nfs/dbraw/zinc/41/25/74/433412574.db2.gz YVFYKXOZXQEQOM-HUUCEWRRSA-N 2 2 320.481 3.208 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000339177166 433417327 /nfs/dbraw/zinc/41/73/27/433417327.db2.gz OSGJKCZIDGICEB-UHFFFAOYSA-N 2 2 301.434 3.087 20 0 DGADLP C[C@H](C[NH2+]Cc1conc1Cc1ccccc1)C[NH+]1CCCC1 ZINC000339183986 433424386 /nfs/dbraw/zinc/42/43/86/433424386.db2.gz GNJRHXBNSFNTDX-MRXNPFEDSA-N 2 2 313.445 3.087 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170123 433438691 /nfs/dbraw/zinc/43/86/91/433438691.db2.gz BRHPLMWFELDSNN-KANFNMMFSA-N 2 2 324.472 3.266 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361891463 433438504 /nfs/dbraw/zinc/43/85/04/433438504.db2.gz CDOSKGRLTCMZLU-UHFFFAOYSA-N 2 2 309.417 3.248 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170123 433438704 /nfs/dbraw/zinc/43/87/04/433438704.db2.gz BRHPLMWFELDSNN-KANFNMMFSA-N 2 2 324.472 3.266 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000292043945 433440416 /nfs/dbraw/zinc/44/04/16/433440416.db2.gz AWVIIBBKTMKAPW-SFHVURJKSA-N 2 2 311.429 3.121 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOC[C@@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000292043945 433440427 /nfs/dbraw/zinc/44/04/27/433440427.db2.gz AWVIIBBKTMKAPW-SFHVURJKSA-N 2 2 311.429 3.121 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000414181462 433444254 /nfs/dbraw/zinc/44/42/54/433444254.db2.gz MHUIKWPRLWBTEK-QFHJOOASSA-N 2 2 301.478 3.316 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000414181462 433444258 /nfs/dbraw/zinc/44/42/58/433444258.db2.gz MHUIKWPRLWBTEK-QFHJOOASSA-N 2 2 301.478 3.316 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1N(C)C ZINC000268792333 290018807 /nfs/dbraw/zinc/01/88/07/290018807.db2.gz VJFJFQNWFJPBSJ-XKQJLSEDSA-N 2 2 305.441 3.169 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1N(C)C ZINC000268792333 290018809 /nfs/dbraw/zinc/01/88/09/290018809.db2.gz VJFJFQNWFJPBSJ-XKQJLSEDSA-N 2 2 305.441 3.169 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000355105541 433463618 /nfs/dbraw/zinc/46/36/18/433463618.db2.gz AJIPKJZXHSVRQQ-IBGZPJMESA-N 2 2 318.461 3.234 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000355105541 433463628 /nfs/dbraw/zinc/46/36/28/433463628.db2.gz AJIPKJZXHSVRQQ-IBGZPJMESA-N 2 2 318.461 3.234 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cccc(C4CC4)c3)CC2)CCO1 ZINC000421319246 433472729 /nfs/dbraw/zinc/47/27/29/433472729.db2.gz LLXISVKRYIMZOX-INIZCTEOSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3cccc(C4CC4)c3)CC2)CCO1 ZINC000421319246 433472735 /nfs/dbraw/zinc/47/27/35/433472735.db2.gz LLXISVKRYIMZOX-INIZCTEOSA-N 2 2 314.473 3.249 20 0 DGADLP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000292114445 433468326 /nfs/dbraw/zinc/46/83/26/433468326.db2.gz PUJWKCBLFQZPNK-CYBMUJFWSA-N 2 2 312.417 3.301 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCCc3ccccc32)CCSC1 ZINC000361969338 433474553 /nfs/dbraw/zinc/47/45/53/433474553.db2.gz BAUAGQASUXPMIA-ZWKOTPCHSA-N 2 2 304.503 3.481 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342114471 433477562 /nfs/dbraw/zinc/47/75/62/433477562.db2.gz IOBANLALPHYUKD-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342114471 433477571 /nfs/dbraw/zinc/47/75/71/433477571.db2.gz IOBANLALPHYUKD-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)n1C ZINC000414296953 433520083 /nfs/dbraw/zinc/52/00/83/433520083.db2.gz FWOKQFKSKKIROQ-QZTJIDSGSA-N 2 2 312.461 3.302 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(C)C ZINC000414300387 433524728 /nfs/dbraw/zinc/52/47/28/433524728.db2.gz SBVBPALSEYBTDP-WZGPROSRSA-N 2 2 304.478 3.207 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(C)C ZINC000414300387 433524736 /nfs/dbraw/zinc/52/47/36/433524736.db2.gz SBVBPALSEYBTDP-WZGPROSRSA-N 2 2 304.478 3.207 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488793 433526342 /nfs/dbraw/zinc/52/63/42/433526342.db2.gz GOCKVKKKMSOKTI-CZUORRHYSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488793 433526354 /nfs/dbraw/zinc/52/63/54/433526354.db2.gz GOCKVKKKMSOKTI-CZUORRHYSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351488793 433526363 /nfs/dbraw/zinc/52/63/63/433526363.db2.gz GOCKVKKKMSOKTI-CZUORRHYSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414299013 433526631 /nfs/dbraw/zinc/52/66/31/433526631.db2.gz HUAKZGRIZCTNNY-HNNXBMFYSA-N 2 2 314.477 3.332 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000282210276 433530258 /nfs/dbraw/zinc/53/02/58/433530258.db2.gz OJUGIGZOOSWRAX-LEAZDLGRSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000282210276 433530269 /nfs/dbraw/zinc/53/02/69/433530269.db2.gz OJUGIGZOOSWRAX-LEAZDLGRSA-N 2 2 316.489 3.444 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1O ZINC000426417882 433490126 /nfs/dbraw/zinc/49/01/26/433490126.db2.gz UQESWZLQUVUGIK-MRXNPFEDSA-N 2 2 320.477 3.188 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c[nH+]1 ZINC000355140358 433491796 /nfs/dbraw/zinc/49/17/96/433491796.db2.gz UUFIXLHXKPMOIZ-UHFFFAOYSA-N 2 2 300.450 3.475 20 0 DGADLP Cc1ccc(CCC[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c[nH+]1 ZINC000355140358 433491809 /nfs/dbraw/zinc/49/18/09/433491809.db2.gz UUFIXLHXKPMOIZ-UHFFFAOYSA-N 2 2 300.450 3.475 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)s1 ZINC000421358149 433502180 /nfs/dbraw/zinc/50/21/80/433502180.db2.gz BBIFKUVGKVJDJN-NSHDSACASA-N 2 2 321.412 3.369 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)s1 ZINC000421358149 433502191 /nfs/dbraw/zinc/50/21/91/433502191.db2.gz BBIFKUVGKVJDJN-NSHDSACASA-N 2 2 321.412 3.369 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000339292871 433503490 /nfs/dbraw/zinc/50/34/90/433503490.db2.gz BGVMFCSELCSTTD-QAETUUGQSA-N 2 2 322.493 3.103 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000339292871 433503497 /nfs/dbraw/zinc/50/34/97/433503497.db2.gz BGVMFCSELCSTTD-QAETUUGQSA-N 2 2 322.493 3.103 20 0 DGADLP CCOc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCC3)cs2)cc1 ZINC000342153692 433507013 /nfs/dbraw/zinc/50/70/13/433507013.db2.gz ZUFITPYZRYESEL-UHFFFAOYSA-N 2 2 317.458 3.180 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289548 433555583 /nfs/dbraw/zinc/55/55/83/433555583.db2.gz BWNKXHDHHGQEOE-APWZRJJASA-N 2 2 324.472 3.428 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289548 433555592 /nfs/dbraw/zinc/55/55/92/433555592.db2.gz BWNKXHDHHGQEOE-APWZRJJASA-N 2 2 324.472 3.428 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)c2ccccc2Cl)n1C ZINC000414339661 433557260 /nfs/dbraw/zinc/55/72/60/433557260.db2.gz LSYVKLWQULBSHY-UHFFFAOYSA-N 2 2 320.868 3.207 20 0 DGADLP Cc1cccc(C2([NH2+]Cc3c[nH+]c(N(C)C)n3C)CCCC2)c1 ZINC000414346875 433559290 /nfs/dbraw/zinc/55/92/90/433559290.db2.gz VMZCABHTPFRZMC-UHFFFAOYSA-N 2 2 312.461 3.354 20 0 DGADLP c1cn(Cc2ccccc2)c(NCc2cccc3[nH+]ccn32)[nH+]1 ZINC000351551558 433569606 /nfs/dbraw/zinc/56/96/06/433569606.db2.gz XNPWWCCYVUZGFF-UHFFFAOYSA-N 2 2 303.369 3.191 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432972 433580735 /nfs/dbraw/zinc/58/07/35/433580735.db2.gz IDSWWCLJFBTBIB-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432972 433580745 /nfs/dbraw/zinc/58/07/45/433580745.db2.gz IDSWWCLJFBTBIB-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432972 433580755 /nfs/dbraw/zinc/58/07/55/433580755.db2.gz IDSWWCLJFBTBIB-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432972 433580762 /nfs/dbraw/zinc/58/07/62/433580762.db2.gz IDSWWCLJFBTBIB-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000414377095 433581602 /nfs/dbraw/zinc/58/16/02/433581602.db2.gz DVUIDCBUZNDUCO-SJORKVTESA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000414377095 433581609 /nfs/dbraw/zinc/58/16/09/433581609.db2.gz DVUIDCBUZNDUCO-SJORKVTESA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000414377095 433581615 /nfs/dbraw/zinc/58/16/15/433581615.db2.gz DVUIDCBUZNDUCO-SJORKVTESA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000414377095 433581625 /nfs/dbraw/zinc/58/16/25/433581625.db2.gz DVUIDCBUZNDUCO-SJORKVTESA-N 2 2 316.493 3.125 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280363 433584255 /nfs/dbraw/zinc/58/42/55/433584255.db2.gz HKGABYIOPXAOPO-SUMWQHHRSA-N 2 2 311.385 3.010 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280363 433584261 /nfs/dbraw/zinc/58/42/61/433584261.db2.gz HKGABYIOPXAOPO-SUMWQHHRSA-N 2 2 311.385 3.010 20 0 DGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1F ZINC000414382368 433588944 /nfs/dbraw/zinc/58/89/44/433588944.db2.gz RJOHOURCJFLCHG-MRXNPFEDSA-N 2 2 322.403 3.395 20 0 DGADLP CCC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1F ZINC000414382367 433589074 /nfs/dbraw/zinc/58/90/74/433589074.db2.gz RJOHOURCJFLCHG-INIZCTEOSA-N 2 2 322.403 3.395 20 0 DGADLP CC[N@@H+](Cc1ccc(C)nn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414394237 433593033 /nfs/dbraw/zinc/59/30/33/433593033.db2.gz FIKCILZENYAHQC-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP CC[N@H+](Cc1ccc(C)nn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000414394237 433593042 /nfs/dbraw/zinc/59/30/42/433593042.db2.gz FIKCILZENYAHQC-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP CC[NH+](Cc1ccc(C)nn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414394237 433593047 /nfs/dbraw/zinc/59/30/47/433593047.db2.gz FIKCILZENYAHQC-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP CC[NH+](Cc1ccc(C)nn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414394237 433593053 /nfs/dbraw/zinc/59/30/53/433593053.db2.gz FIKCILZENYAHQC-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP Cc1cc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc(C)[nH+]1 ZINC000421564086 433628709 /nfs/dbraw/zinc/62/87/09/433628709.db2.gz YRQHCYDBHAPMOZ-UHFFFAOYSA-N 2 2 323.440 3.224 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000376002841 433636267 /nfs/dbraw/zinc/63/62/67/433636267.db2.gz GBMAWTRUMGFLQT-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000376002841 433636276 /nfs/dbraw/zinc/63/62/76/433636276.db2.gz GBMAWTRUMGFLQT-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002841 433636280 /nfs/dbraw/zinc/63/62/80/433636280.db2.gz GBMAWTRUMGFLQT-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002841 433636288 /nfs/dbraw/zinc/63/62/88/433636288.db2.gz GBMAWTRUMGFLQT-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000339528530 433640098 /nfs/dbraw/zinc/64/00/98/433640098.db2.gz WDAOYMWMQBUGQN-SFHVURJKSA-N 2 2 322.880 3.319 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000356672729 433647427 /nfs/dbraw/zinc/64/74/27/433647427.db2.gz HWPZPBNZDHWWIY-VQTJNVASSA-N 2 2 316.489 3.228 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000356672729 433647438 /nfs/dbraw/zinc/64/74/38/433647438.db2.gz HWPZPBNZDHWWIY-VQTJNVASSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453230 433598064 /nfs/dbraw/zinc/59/80/64/433598064.db2.gz FPHROEKKDOFAKU-RVKKMQEKSA-N 2 2 311.429 3.101 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453230 433598077 /nfs/dbraw/zinc/59/80/77/433598077.db2.gz FPHROEKKDOFAKU-RVKKMQEKSA-N 2 2 311.429 3.101 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000282431847 433605073 /nfs/dbraw/zinc/60/50/73/433605073.db2.gz HNBZFGYJZCHOAJ-GFCCVEGCSA-N 2 2 307.467 3.079 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000282431847 433605080 /nfs/dbraw/zinc/60/50/80/433605080.db2.gz HNBZFGYJZCHOAJ-GFCCVEGCSA-N 2 2 307.467 3.079 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000282431851 433606595 /nfs/dbraw/zinc/60/65/95/433606595.db2.gz HNBZFGYJZCHOAJ-LBPRGKRZSA-N 2 2 307.467 3.079 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000282431851 433606602 /nfs/dbraw/zinc/60/66/02/433606602.db2.gz HNBZFGYJZCHOAJ-LBPRGKRZSA-N 2 2 307.467 3.079 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C12CCCCC2 ZINC000315867196 292892538 /nfs/dbraw/zinc/89/25/38/292892538.db2.gz IFNGXTTYJHXEAV-SJORKVTESA-N 2 2 305.466 3.381 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700704 433673886 /nfs/dbraw/zinc/67/38/86/433673886.db2.gz QVWWHRLHDJAKHR-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700704 433673893 /nfs/dbraw/zinc/67/38/93/433673893.db2.gz QVWWHRLHDJAKHR-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700704 433673902 /nfs/dbraw/zinc/67/39/02/433673902.db2.gz QVWWHRLHDJAKHR-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700704 433673910 /nfs/dbraw/zinc/67/39/10/433673910.db2.gz QVWWHRLHDJAKHR-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034901 433693084 /nfs/dbraw/zinc/69/30/84/433693084.db2.gz FMJNXIAJJOLTTJ-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034901 433693095 /nfs/dbraw/zinc/69/30/95/433693095.db2.gz FMJNXIAJJOLTTJ-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034901 433693105 /nfs/dbraw/zinc/69/31/05/433693105.db2.gz FMJNXIAJJOLTTJ-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP COC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(Cl)c1 ZINC000342421599 433680571 /nfs/dbraw/zinc/68/05/71/433680571.db2.gz PKCBGFBOYZQMST-INIZCTEOSA-N 2 2 315.804 3.465 20 0 DGADLP Cc1cccc(C[NH+]2CCN(c3nc(C)[nH+]c(C)c3C)CC2)c1 ZINC000301700195 433681431 /nfs/dbraw/zinc/68/14/31/433681431.db2.gz SBAPXYDLHGKJFL-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449034901 433693112 /nfs/dbraw/zinc/69/31/12/433693112.db2.gz FMJNXIAJJOLTTJ-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1SC ZINC000366922423 293005234 /nfs/dbraw/zinc/00/52/34/293005234.db2.gz MWOWKOCBRAATDK-AWEZNQCLSA-N 2 2 317.458 3.140 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1SC ZINC000366922423 293005237 /nfs/dbraw/zinc/00/52/37/293005237.db2.gz MWOWKOCBRAATDK-AWEZNQCLSA-N 2 2 317.458 3.140 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccccc1N(C)C)CCC2 ZINC000362335129 433651835 /nfs/dbraw/zinc/65/18/35/433651835.db2.gz KBDLYNCIGGVTPI-HZPDHXFCSA-N 2 2 312.461 3.486 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098329 433652280 /nfs/dbraw/zinc/65/22/80/433652280.db2.gz AEBVMDFANQWEGI-WMLDXEAASA-N 2 2 320.864 3.313 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098329 433652287 /nfs/dbraw/zinc/65/22/87/433652287.db2.gz AEBVMDFANQWEGI-WMLDXEAASA-N 2 2 320.864 3.313 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117178 293027143 /nfs/dbraw/zinc/02/71/43/293027143.db2.gz LZDUTZOPCIYHII-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117178 293027147 /nfs/dbraw/zinc/02/71/47/293027147.db2.gz LZDUTZOPCIYHII-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367259643 293044941 /nfs/dbraw/zinc/04/49/41/293044941.db2.gz JDPCPTIFQPRTPF-RTBURBONSA-N 2 2 316.489 3.401 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1N(C)C ZINC000367439254 293072328 /nfs/dbraw/zinc/07/23/28/293072328.db2.gz SNODFJINWPKBNO-CYBMUJFWSA-N 2 2 316.424 3.275 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4occc4c3)cn2)c[nH+]1 ZINC000367525169 293083589 /nfs/dbraw/zinc/08/35/89/293083589.db2.gz RHOYXIHWAJOCEM-UHFFFAOYSA-N 2 2 304.353 3.303 20 0 DGADLP COc1ccc(C[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000367754752 293093393 /nfs/dbraw/zinc/09/33/93/293093393.db2.gz QLJLTEJECSIBJB-SFHVURJKSA-N 2 2 313.445 3.237 20 0 DGADLP COc1ccc(C[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000367754752 293093396 /nfs/dbraw/zinc/09/33/96/293093396.db2.gz QLJLTEJECSIBJB-SFHVURJKSA-N 2 2 313.445 3.237 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3COc4ccccc43)cc2)c[nH+]1 ZINC000342447879 433700251 /nfs/dbraw/zinc/70/02/51/433700251.db2.gz OHJZEJZZBQVUSF-INIZCTEOSA-N 2 2 305.381 3.138 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)[nH+]1 ZINC000369900384 293145475 /nfs/dbraw/zinc/14/54/75/293145475.db2.gz NMEUGZIBPQLQQI-QGZVFWFLSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cn3ccccc3n2)[nH+]1 ZINC000369900384 293145476 /nfs/dbraw/zinc/14/54/76/293145476.db2.gz NMEUGZIBPQLQQI-QGZVFWFLSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000292778088 293202014 /nfs/dbraw/zinc/20/20/14/293202014.db2.gz KHIFUNZNSJABKD-PKOBYXMFSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000292778088 293202016 /nfs/dbraw/zinc/20/20/16/293202016.db2.gz KHIFUNZNSJABKD-PKOBYXMFSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000292778088 293202019 /nfs/dbraw/zinc/20/20/19/293202019.db2.gz KHIFUNZNSJABKD-PKOBYXMFSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000292778088 293202020 /nfs/dbraw/zinc/20/20/20/293202020.db2.gz KHIFUNZNSJABKD-PKOBYXMFSA-N 2 2 301.478 3.430 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000372054953 293226721 /nfs/dbraw/zinc/22/67/21/293226721.db2.gz ISWCZDRBBKJMKH-ZFWWWQNUSA-N 2 2 315.383 3.224 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000372054953 293226724 /nfs/dbraw/zinc/22/67/24/293226724.db2.gz ISWCZDRBBKJMKH-ZFWWWQNUSA-N 2 2 315.383 3.224 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422975998 293261666 /nfs/dbraw/zinc/26/16/66/293261666.db2.gz COWGDBNEHDEGFR-AWEZNQCLSA-N 2 2 311.433 3.017 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1N(C)C ZINC000374267812 293374217 /nfs/dbraw/zinc/37/42/17/293374217.db2.gz DDKHDMUYTGDQEC-HNNXBMFYSA-N 2 2 312.461 3.179 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449059933 433715926 /nfs/dbraw/zinc/71/59/26/433715926.db2.gz DGNFJOUOLDGCLQ-UHFFFAOYSA-N 2 2 315.486 3.112 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449059585 433717722 /nfs/dbraw/zinc/71/77/22/433717722.db2.gz BVTLAAIOGUPIFG-UHFFFAOYSA-N 2 2 305.422 3.133 20 0 DGADLP COc1cc(C)ccc1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000449062000 433721671 /nfs/dbraw/zinc/72/16/71/433721671.db2.gz KEIBMXUKIAAKTC-UHFFFAOYSA-N 2 2 309.413 3.452 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449079085 433726426 /nfs/dbraw/zinc/72/64/26/433726426.db2.gz ZORZJZBNGQQYDF-ZDUSSCGKSA-N 2 2 300.368 3.411 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449079085 433726433 /nfs/dbraw/zinc/72/64/33/433726433.db2.gz ZORZJZBNGQQYDF-ZDUSSCGKSA-N 2 2 300.368 3.411 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000376429024 433736004 /nfs/dbraw/zinc/73/60/04/433736004.db2.gz STLTXAZGBWZLDM-LBPRGKRZSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000376429024 433736017 /nfs/dbraw/zinc/73/60/17/433736017.db2.gz STLTXAZGBWZLDM-LBPRGKRZSA-N 2 2 324.350 3.214 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421798520 433736711 /nfs/dbraw/zinc/73/67/11/433736711.db2.gz BARBMHLAYGAZBN-WOJBJXKFSA-N 2 2 323.484 3.092 20 0 DGADLP CCCCCOc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OC ZINC000414651081 433771665 /nfs/dbraw/zinc/77/16/65/433771665.db2.gz DXYLFRIAFVSBOK-UHFFFAOYSA-N 2 2 306.450 3.060 20 0 DGADLP CCCCCOc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OC ZINC000414651081 433771669 /nfs/dbraw/zinc/77/16/69/433771669.db2.gz DXYLFRIAFVSBOK-UHFFFAOYSA-N 2 2 306.450 3.060 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[NH+]1CCC(C)CC1 ZINC000421822330 433746910 /nfs/dbraw/zinc/74/69/10/433746910.db2.gz AFNWNLGLJGXPES-AEFFLSMTSA-N 2 2 301.478 3.039 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427861722 433747976 /nfs/dbraw/zinc/74/79/76/433747976.db2.gz UCNDTYHABLFMKL-IUODEOHRSA-N 2 2 323.362 3.438 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000427886752 433749150 /nfs/dbraw/zinc/74/91/50/433749150.db2.gz QLWMKQNIWASQLG-GOEBONIOSA-N 2 2 309.413 3.234 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000427876466 433749670 /nfs/dbraw/zinc/74/96/70/433749670.db2.gz MDPZSZPOTYWACQ-IEBWSBKVSA-N 2 2 322.387 3.111 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000421828820 433752633 /nfs/dbraw/zinc/75/26/33/433752633.db2.gz FKSSCXVHQNHVJR-JKSUJKDBSA-N 2 2 305.466 3.396 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848419 433754729 /nfs/dbraw/zinc/75/47/29/433754729.db2.gz COIKJRRFPXDMBX-ZBFHGGJFSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848419 433754736 /nfs/dbraw/zinc/75/47/36/433754736.db2.gz COIKJRRFPXDMBX-ZBFHGGJFSA-N 2 2 315.486 3.097 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282868 433756567 /nfs/dbraw/zinc/75/65/67/433756567.db2.gz RHSNXESDYVBSCC-YTQUADARSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282868 433756576 /nfs/dbraw/zinc/75/65/76/433756576.db2.gz RHSNXESDYVBSCC-YTQUADARSA-N 2 2 306.494 3.023 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351863924 433758113 /nfs/dbraw/zinc/75/81/13/433758113.db2.gz VSKONQKIKQSUJR-HRCADAONSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351863924 433758123 /nfs/dbraw/zinc/75/81/23/433758123.db2.gz VSKONQKIKQSUJR-HRCADAONSA-N 2 2 317.477 3.115 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)c(F)c1 ZINC000421838072 433762411 /nfs/dbraw/zinc/76/24/11/433762411.db2.gz URLCLTHOUUFILQ-UVBSCNOISA-N 2 2 306.425 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)c(F)c1 ZINC000421838072 433762420 /nfs/dbraw/zinc/76/24/20/433762420.db2.gz URLCLTHOUUFILQ-UVBSCNOISA-N 2 2 306.425 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)c(F)c1 ZINC000421838071 433764329 /nfs/dbraw/zinc/76/43/29/433764329.db2.gz URLCLTHOUUFILQ-RVZJWNSFSA-N 2 2 306.425 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)c(F)c1 ZINC000421838071 433764335 /nfs/dbraw/zinc/76/43/35/433764335.db2.gz URLCLTHOUUFILQ-RVZJWNSFSA-N 2 2 306.425 3.358 20 0 DGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000421843004 433766480 /nfs/dbraw/zinc/76/64/80/433766480.db2.gz PJQKTHDMISMGCV-DGCLKSJQSA-N 2 2 305.809 3.211 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414659817 433772711 /nfs/dbraw/zinc/77/27/11/433772711.db2.gz UDYACYRSCUQSTQ-IBGZPJMESA-N 2 2 310.441 3.231 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414659817 433772716 /nfs/dbraw/zinc/77/27/16/433772716.db2.gz UDYACYRSCUQSTQ-IBGZPJMESA-N 2 2 310.441 3.231 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656910 433774377 /nfs/dbraw/zinc/77/43/77/433774377.db2.gz NVAAPYRQGPJWAU-HNNXBMFYSA-N 2 2 304.340 3.290 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000414656910 433774384 /nfs/dbraw/zinc/77/43/84/433774384.db2.gz NVAAPYRQGPJWAU-HNNXBMFYSA-N 2 2 304.340 3.290 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000414657762 433776556 /nfs/dbraw/zinc/77/65/56/433776556.db2.gz PEXBWZKQCYKXNA-UHFFFAOYSA-N 2 2 312.413 3.283 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000414657762 433776563 /nfs/dbraw/zinc/77/65/63/433776563.db2.gz PEXBWZKQCYKXNA-UHFFFAOYSA-N 2 2 312.413 3.283 20 0 DGADLP CC[C@@H](C)[NH2+][C@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1ccco1 ZINC000343257799 433789348 /nfs/dbraw/zinc/78/93/48/433789348.db2.gz ZCIWCAXSNNAEBO-IUODEOHRSA-N 2 2 314.433 3.797 20 0 DGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430576457 433792722 /nfs/dbraw/zinc/79/27/22/433792722.db2.gz XIWVNIDVDYHHQO-KBPBESRZSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430576457 433792731 /nfs/dbraw/zinc/79/27/31/433792731.db2.gz XIWVNIDVDYHHQO-KBPBESRZSA-N 2 2 323.506 3.041 20 0 DGADLP CC[C@H](C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1)[NH+](C)C ZINC000356974694 433793179 /nfs/dbraw/zinc/79/31/79/433793179.db2.gz NEVIMRCKEOMNAF-GDBMZVCRSA-N 2 2 318.465 3.048 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cnn1C(C)C ZINC000375502866 293535311 /nfs/dbraw/zinc/53/53/11/293535311.db2.gz XEUKOHIBDBVBTQ-CQSZACIVSA-N 2 2 315.465 3.199 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376726700 433803816 /nfs/dbraw/zinc/80/38/16/433803816.db2.gz ATHSPWXPUGUQLV-UHFFFAOYSA-N 2 2 315.465 3.078 20 0 DGADLP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000414708303 433804674 /nfs/dbraw/zinc/80/46/74/433804674.db2.gz NQGLRJRYFYILBI-AWEZNQCLSA-N 2 2 311.267 3.401 20 0 DGADLP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000414744411 433814569 /nfs/dbraw/zinc/81/45/69/433814569.db2.gz IIFATEHTUSKIPP-CYBMUJFWSA-N 2 2 301.203 3.074 20 0 DGADLP [NH3+]CCC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000414744411 433814573 /nfs/dbraw/zinc/81/45/73/433814573.db2.gz IIFATEHTUSKIPP-CYBMUJFWSA-N 2 2 301.203 3.074 20 0 DGADLP COc1cccc(C2(F)CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414757303 433815586 /nfs/dbraw/zinc/81/55/86/433815586.db2.gz ANEHNQRFUJEUKC-MRXNPFEDSA-N 2 2 308.441 3.329 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000284004544 433816629 /nfs/dbraw/zinc/81/66/29/433816629.db2.gz PLWDOJJVWMSEKO-APWZRJJASA-N 2 2 312.461 3.074 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000284004544 433816636 /nfs/dbraw/zinc/81/66/36/433816636.db2.gz PLWDOJJVWMSEKO-APWZRJJASA-N 2 2 312.461 3.074 20 0 DGADLP Cc1cc(Br)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000414750521 433817687 /nfs/dbraw/zinc/81/76/87/433817687.db2.gz LRWYWOOCTJHCFV-NSHDSACASA-N 2 2 317.296 3.393 20 0 DGADLP Cc1cc(Br)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000414750521 433817694 /nfs/dbraw/zinc/81/76/94/433817694.db2.gz LRWYWOOCTJHCFV-NSHDSACASA-N 2 2 317.296 3.393 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414837815 433873437 /nfs/dbraw/zinc/87/34/37/433873437.db2.gz VYCSNUBLCHXZSY-AWEZNQCLSA-N 2 2 301.459 3.208 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)C1CCCCC1 ZINC000414839527 433873766 /nfs/dbraw/zinc/87/37/66/433873766.db2.gz LKYUWSYNDXTZEZ-LLVKDONJSA-N 2 2 307.385 3.159 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC000414847095 433876751 /nfs/dbraw/zinc/87/67/51/433876751.db2.gz OEKIMMVVKCMIRK-GOSISDBHSA-N 2 2 308.429 3.476 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnn(C(C)C)c2)cc1 ZINC000414845011 433876861 /nfs/dbraw/zinc/87/68/61/433876861.db2.gz LKNLFTRPBQUNOY-GOSISDBHSA-N 2 2 300.450 3.377 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414773553 433825618 /nfs/dbraw/zinc/82/56/18/433825618.db2.gz XDESRNRKRMKSMP-GXTWGEPZSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414773553 433825626 /nfs/dbraw/zinc/82/56/26/433825626.db2.gz XDESRNRKRMKSMP-GXTWGEPZSA-N 2 2 303.837 3.447 20 0 DGADLP CCCCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414779023 433831660 /nfs/dbraw/zinc/83/16/60/433831660.db2.gz HAROLGQAXFQYIP-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414779023 433831668 /nfs/dbraw/zinc/83/16/68/433831668.db2.gz HAROLGQAXFQYIP-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000357030981 433834818 /nfs/dbraw/zinc/83/48/18/433834818.db2.gz VDUPIBFNBGEMNV-SFHVURJKSA-N 2 2 324.403 3.184 20 0 DGADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1Oc1cccnc1 ZINC000414783913 433835679 /nfs/dbraw/zinc/83/56/79/433835679.db2.gz HRSWUEOJMUPPFL-UHFFFAOYSA-N 2 2 311.429 3.496 20 0 DGADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1Oc1cccnc1 ZINC000414783913 433835687 /nfs/dbraw/zinc/83/56/87/433835687.db2.gz HRSWUEOJMUPPFL-UHFFFAOYSA-N 2 2 311.429 3.496 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414795089 433838082 /nfs/dbraw/zinc/83/80/82/433838082.db2.gz MKRQWVAWOXWXST-QGZVFWFLSA-N 2 2 300.450 3.069 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000433032621 433838617 /nfs/dbraw/zinc/83/86/17/433838617.db2.gz MOAPKPCMTCLTBO-LZQZEXGQSA-N 2 2 322.452 3.285 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000433032621 433838625 /nfs/dbraw/zinc/83/86/25/433838625.db2.gz MOAPKPCMTCLTBO-LZQZEXGQSA-N 2 2 322.452 3.285 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1Cl ZINC000414804330 433847167 /nfs/dbraw/zinc/84/71/67/433847167.db2.gz XGWPSJHOOWHOOE-GFCCVEGCSA-N 2 2 305.647 3.175 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414805703 433850338 /nfs/dbraw/zinc/85/03/38/433850338.db2.gz MKIOQDASXBKDGF-UHFFFAOYSA-N 2 2 312.461 3.479 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000414807288 433850574 /nfs/dbraw/zinc/85/05/74/433850574.db2.gz CMRGATQVNYTIIR-GFCCVEGCSA-N 2 2 303.219 3.195 20 0 DGADLP CCn1nc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011079 433858376 /nfs/dbraw/zinc/85/83/76/433858376.db2.gz OERYSNDBMUNDBI-HZPDHXFCSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011079 433858384 /nfs/dbraw/zinc/85/83/84/433858384.db2.gz OERYSNDBMUNDBI-HZPDHXFCSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011079 433858395 /nfs/dbraw/zinc/85/83/95/433858395.db2.gz OERYSNDBMUNDBI-HZPDHXFCSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011079 433858403 /nfs/dbraw/zinc/85/84/03/433858403.db2.gz OERYSNDBMUNDBI-HZPDHXFCSA-N 2 2 314.477 3.361 20 0 DGADLP CC(C)c1nc(NCCC[NH+]2CCOCC2)cc(C(C)(C)C)[nH+]1 ZINC000302797022 433866154 /nfs/dbraw/zinc/86/61/54/433866154.db2.gz QRKVYVOYZWBVHJ-UHFFFAOYSA-N 2 2 320.481 3.032 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1nccn1-c1ccccc1 ZINC000377396967 433869605 /nfs/dbraw/zinc/86/96/05/433869605.db2.gz HQIZCFPUKOFPDN-OAHLLOKOSA-N 2 2 317.396 3.371 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414833679 433869565 /nfs/dbraw/zinc/86/95/65/433869565.db2.gz PTUITSAUTQCDKG-WMLDXEAASA-N 2 2 308.429 3.174 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)C1CCCCC1 ZINC000414835149 433870954 /nfs/dbraw/zinc/87/09/54/433870954.db2.gz HEBZPEBVDRQGSD-AWEZNQCLSA-N 2 2 307.438 3.433 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc(C)[nH+]c12 ZINC000352090173 433903674 /nfs/dbraw/zinc/90/36/74/433903674.db2.gz WKXXZSSZOAUEOA-WMLDXEAASA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc(C)[nH+]c12 ZINC000352090173 433903677 /nfs/dbraw/zinc/90/36/77/433903677.db2.gz WKXXZSSZOAUEOA-WMLDXEAASA-N 2 2 311.429 3.082 20 0 DGADLP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414923626 433921898 /nfs/dbraw/zinc/92/18/98/433921898.db2.gz ITFYPRZXEFPHIQ-WMZOPIPTSA-N 3 2 321.896 3.164 20 0 DGADLP COc1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1SC ZINC000414936767 433924268 /nfs/dbraw/zinc/92/42/68/433924268.db2.gz WVAKGENVBSQFHD-MRXNPFEDSA-N 2 2 308.491 3.285 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000414936028 433924440 /nfs/dbraw/zinc/92/44/40/433924440.db2.gz BEHWGZDANCCUDP-SECBINFHSA-N 2 2 305.647 3.190 20 0 DGADLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]1 ZINC000414943799 433929197 /nfs/dbraw/zinc/92/91/97/433929197.db2.gz MRUHWXARMWCCJP-FQEVSTJZSA-N 2 2 310.441 3.212 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000414943620 433932431 /nfs/dbraw/zinc/93/24/31/433932431.db2.gz FPIUKPYRJUPACA-FZMZJTMJSA-N 2 2 305.422 3.179 20 0 DGADLP CC(C)Cn1cc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414848015 433878616 /nfs/dbraw/zinc/87/86/16/433878616.db2.gz PINLZDWQHBCFIT-IBGZPJMESA-N 2 2 314.477 3.452 20 0 DGADLP CCn1nc(C)c(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1C ZINC000414842559 433878700 /nfs/dbraw/zinc/87/87/00/433878700.db2.gz ISMXMUCPJDPIDW-IBGZPJMESA-N 2 2 314.477 3.433 20 0 DGADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414951761 433934621 /nfs/dbraw/zinc/93/46/21/433934621.db2.gz HENQRQILBJIOEV-HXUWFJFHSA-N 2 2 310.441 3.450 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414854308 433884309 /nfs/dbraw/zinc/88/43/09/433884309.db2.gz UTWNCESFYYCRNT-QGZVFWFLSA-N 2 2 323.912 3.267 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000414952986 433934826 /nfs/dbraw/zinc/93/48/26/433934826.db2.gz IYRHGFATBAZLNA-WIYYLYMNSA-N 2 2 322.452 3.029 20 0 DGADLP Fc1ccccc1CC(Cc1ccccc1F)[NH2+][C@H]1CC[NH2+]C1 ZINC000414865959 433891262 /nfs/dbraw/zinc/89/12/62/433891262.db2.gz DPBHXFQJYUCTLG-INIZCTEOSA-N 2 2 316.395 3.070 20 0 DGADLP CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422701973 433942310 /nfs/dbraw/zinc/94/23/10/433942310.db2.gz JRZBRVUOEMIFTH-OALUTQOASA-N 2 2 315.505 3.073 20 0 DGADLP CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422701973 433942319 /nfs/dbraw/zinc/94/23/19/433942319.db2.gz JRZBRVUOEMIFTH-OALUTQOASA-N 2 2 315.505 3.073 20 0 DGADLP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000422704227 433942436 /nfs/dbraw/zinc/94/24/36/433942436.db2.gz KCYPWHVKDWJJPS-RZRMAFQFSA-N 2 2 311.404 3.183 20 0 DGADLP CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422713944 433943962 /nfs/dbraw/zinc/94/39/62/433943962.db2.gz QFYAKDBAJZDJET-JQWIXIFHSA-N 2 2 304.463 3.279 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)nc2c1 ZINC000422712606 433944282 /nfs/dbraw/zinc/94/42/82/433944282.db2.gz IPAAJOFRDQMOQT-JKSUJKDBSA-N 2 2 300.450 3.043 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422711538 433944433 /nfs/dbraw/zinc/94/44/33/433944433.db2.gz HBWJEPRUBFEXOT-VXGBXAGGSA-N 2 2 303.631 3.072 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422713401 433945493 /nfs/dbraw/zinc/94/54/93/433945493.db2.gz JQROOMVJGZCMHF-QZTJIDSGSA-N 2 2 315.461 3.175 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000414973912 433949097 /nfs/dbraw/zinc/94/90/97/433949097.db2.gz NCMXHSKUXOWBER-GFCCVEGCSA-N 2 2 317.296 3.297 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422719120 433951457 /nfs/dbraw/zinc/95/14/57/433951457.db2.gz QTGGHALQNFYFIG-CKEIUWERSA-N 2 2 308.491 3.216 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726815 433951571 /nfs/dbraw/zinc/95/15/71/433951571.db2.gz GAILOALACROPKN-BXWFABGCSA-N 3 2 317.521 3.175 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726815 433951579 /nfs/dbraw/zinc/95/15/79/433951579.db2.gz GAILOALACROPKN-BXWFABGCSA-N 3 2 317.521 3.175 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000422728121 433954940 /nfs/dbraw/zinc/95/49/40/433954940.db2.gz FDDQZSYKDVQXDE-AUUYWEPGSA-N 2 2 312.461 3.010 20 0 DGADLP CCc1ccc([C@@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000422728121 433954944 /nfs/dbraw/zinc/95/49/44/433954944.db2.gz FDDQZSYKDVQXDE-AUUYWEPGSA-N 2 2 312.461 3.010 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340174470 433957408 /nfs/dbraw/zinc/95/74/08/433957408.db2.gz OPKCPJWHMFSMPO-MSOLQXFVSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340174470 433957417 /nfs/dbraw/zinc/95/74/17/433957417.db2.gz OPKCPJWHMFSMPO-MSOLQXFVSA-N 2 2 311.429 3.015 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340173337 433960079 /nfs/dbraw/zinc/96/00/79/433960079.db2.gz GDZOTIBGWIQSGQ-HOTGVXAUSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340173337 433960088 /nfs/dbraw/zinc/96/00/88/433960088.db2.gz GDZOTIBGWIQSGQ-HOTGVXAUSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340181573 433966096 /nfs/dbraw/zinc/96/60/96/433966096.db2.gz QLDCASLRHHENDH-KBXCAEBGSA-N 2 2 301.434 3.282 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422741403 433969004 /nfs/dbraw/zinc/96/90/04/433969004.db2.gz DKOKDTJMRVAKOP-WOJBJXKFSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750142 433970334 /nfs/dbraw/zinc/97/03/34/433970334.db2.gz ABUHWOSIZVJHAN-NCXUSEDFSA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750142 433970338 /nfs/dbraw/zinc/97/03/38/433970338.db2.gz ABUHWOSIZVJHAN-NCXUSEDFSA-N 3 2 321.553 3.397 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422749332 433970472 /nfs/dbraw/zinc/97/04/72/433970472.db2.gz YQFXJCLJOLVYOZ-AZCLRUCKSA-N 3 2 313.489 3.085 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340191426 433973074 /nfs/dbraw/zinc/97/30/74/433973074.db2.gz PONMRPAHXBONSD-RTBURBONSA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340191426 433973085 /nfs/dbraw/zinc/97/30/85/433973085.db2.gz PONMRPAHXBONSD-RTBURBONSA-N 3 2 312.461 3.007 20 0 DGADLP C[C@@H]1CN(Cc2ccc(N3CCCC3)[nH+]c2)c2ccccc2C[NH2+]1 ZINC000415101075 433973838 /nfs/dbraw/zinc/97/38/38/433973838.db2.gz NBHNGTOPLUDWMS-MRXNPFEDSA-N 2 2 322.456 3.180 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377731294 433974026 /nfs/dbraw/zinc/97/40/26/433974026.db2.gz CVZFSWJUYLLXJU-IBGZPJMESA-N 2 2 313.445 3.021 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377731294 433974033 /nfs/dbraw/zinc/97/40/33/433974033.db2.gz CVZFSWJUYLLXJU-IBGZPJMESA-N 2 2 313.445 3.021 20 0 DGADLP CCc1cnc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422782212 433991299 /nfs/dbraw/zinc/99/12/99/433991299.db2.gz FYXXFIRGCFCPOO-GDBMZVCRSA-N 2 2 301.459 3.288 20 0 DGADLP COCCC1(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)CCCCC1 ZINC000436296926 433936253 /nfs/dbraw/zinc/93/62/53/433936253.db2.gz WAZANNIUXDSMAT-KRWDZBQOSA-N 2 2 314.539 3.000 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414957793 433937067 /nfs/dbraw/zinc/93/70/67/433937067.db2.gz ORSMRDKDOZHDFJ-OAHLLOKOSA-N 2 2 316.420 3.492 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[nH+]c1 ZINC000422706387 433939522 /nfs/dbraw/zinc/93/95/22/433939522.db2.gz UHURMRXXYOROFU-FGTMMUONSA-N 3 2 316.493 3.174 20 0 DGADLP CCCOc1c(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cccc1OCC ZINC000414962495 433940725 /nfs/dbraw/zinc/94/07/25/433940725.db2.gz WQHHQYRUWBZZIH-ZBFHGGJFSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422790738 434005516 /nfs/dbraw/zinc/00/55/16/434005516.db2.gz PSJZRSWANFAYPC-DNVCBOLYSA-N 2 2 321.424 3.390 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340236792 434005850 /nfs/dbraw/zinc/00/58/50/434005850.db2.gz QQIXJLZKFSOYQE-NVXWUHKLSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340236792 434005860 /nfs/dbraw/zinc/00/58/60/434005860.db2.gz QQIXJLZKFSOYQE-NVXWUHKLSA-N 2 2 301.459 3.377 20 0 DGADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OC)cc1 ZINC000352250824 434006601 /nfs/dbraw/zinc/00/66/01/434006601.db2.gz LJCKTANHZYIYRE-MRXNPFEDSA-N 2 2 319.474 3.454 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841088 434013297 /nfs/dbraw/zinc/01/32/97/434013297.db2.gz YPMZCUVRDQSURY-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841088 434013304 /nfs/dbraw/zinc/01/33/04/434013304.db2.gz YPMZCUVRDQSURY-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841088 434013313 /nfs/dbraw/zinc/01/33/13/434013313.db2.gz YPMZCUVRDQSURY-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841088 434013318 /nfs/dbraw/zinc/01/33/18/434013318.db2.gz YPMZCUVRDQSURY-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802175 434016709 /nfs/dbraw/zinc/01/67/09/434016709.db2.gz BFGJDEMCZBKGNP-FMKPAKJESA-N 2 2 306.450 3.274 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422803596 434016978 /nfs/dbraw/zinc/01/69/78/434016978.db2.gz JGXPAMQZJOUKHA-WFASDCNBSA-N 2 2 316.367 3.248 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340253371 434017352 /nfs/dbraw/zinc/01/73/52/434017352.db2.gz BKVAPYGSQDTHRY-VNTMZGSJSA-N 3 2 315.505 3.284 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340253371 434017359 /nfs/dbraw/zinc/01/73/59/434017359.db2.gz BKVAPYGSQDTHRY-VNTMZGSJSA-N 3 2 315.505 3.284 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C[C@H]1c1ccccc1 ZINC000340253067 434017991 /nfs/dbraw/zinc/01/79/91/434017991.db2.gz MICLEAIXOWBLLR-FHWLQOOXSA-N 3 2 324.472 3.186 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C[C@H]1c1ccccc1 ZINC000340253067 434018001 /nfs/dbraw/zinc/01/80/01/434018001.db2.gz MICLEAIXOWBLLR-FHWLQOOXSA-N 3 2 324.472 3.186 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422806873 434022039 /nfs/dbraw/zinc/02/20/39/434022039.db2.gz OCOQYROAYRMVIC-XLIONFOSSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000340258617 434022334 /nfs/dbraw/zinc/02/23/34/434022334.db2.gz MNEQONATKQIONS-VBSBHUPXSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000340258617 434022348 /nfs/dbraw/zinc/02/23/48/434022348.db2.gz MNEQONATKQIONS-VBSBHUPXSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000422814665 434023237 /nfs/dbraw/zinc/02/32/37/434023237.db2.gz VVTVGHVGIBKNKQ-BXKDBHETSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC000396881838 293842995 /nfs/dbraw/zinc/84/29/95/293842995.db2.gz IMKFGATZXJXYLK-LBPRGKRZSA-N 2 2 301.356 3.229 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340272040 434025369 /nfs/dbraw/zinc/02/53/69/434025369.db2.gz HDSSTCYMKCEAHB-UXHICEINSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340272040 434025374 /nfs/dbraw/zinc/02/53/74/434025374.db2.gz HDSSTCYMKCEAHB-UXHICEINSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422827164 434028557 /nfs/dbraw/zinc/02/85/57/434028557.db2.gz MQQTTYPSQKEBBA-XFBWCDHKSA-N 2 2 310.388 3.253 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000422826689 434028911 /nfs/dbraw/zinc/02/89/11/434028911.db2.gz LTAXUSATADOCGH-ZCNNSNEGSA-N 2 2 315.505 3.382 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]1 ZINC000422826135 434031565 /nfs/dbraw/zinc/03/15/65/434031565.db2.gz KYUBIYNIMNGORI-MAUKXSAKSA-N 2 2 320.440 3.256 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422837794 434039222 /nfs/dbraw/zinc/03/92/22/434039222.db2.gz MVBSMSLTSFIIPS-AFYVEPGGSA-N 3 2 315.505 3.289 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837794 434039229 /nfs/dbraw/zinc/03/92/29/434039229.db2.gz MVBSMSLTSFIIPS-AFYVEPGGSA-N 3 2 315.505 3.289 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000285709073 434043728 /nfs/dbraw/zinc/04/37/28/434043728.db2.gz WGORMSMQUZRBIK-UHFFFAOYSA-N 2 2 324.403 3.363 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000305126783 434045052 /nfs/dbraw/zinc/04/50/52/434045052.db2.gz LMNHLDCCUXIPDP-WFASDCNBSA-N 2 2 322.449 3.127 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840445 434044955 /nfs/dbraw/zinc/04/49/55/434044955.db2.gz SYGXCIPQWXEEDU-JZXOWHBKSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840445 434044962 /nfs/dbraw/zinc/04/49/62/434044962.db2.gz SYGXCIPQWXEEDU-JZXOWHBKSA-N 3 2 321.534 3.080 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422777819 433995757 /nfs/dbraw/zinc/99/57/57/433995757.db2.gz GFKAWGBOXJBLQH-UHOSZYNNSA-N 2 2 304.478 3.145 20 0 DGADLP COc1ccc([C@H]([NH2+]CCOCCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422786552 433998389 /nfs/dbraw/zinc/99/83/89/433998389.db2.gz SMBLDTBXNDTBIO-OALUTQOASA-N 2 2 320.477 3.141 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861184 434061718 /nfs/dbraw/zinc/06/17/18/434061718.db2.gz MMZLVKXYWYMKLZ-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861184 434061725 /nfs/dbraw/zinc/06/17/25/434061725.db2.gz MMZLVKXYWYMKLZ-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP Cc1nc(CC[N@H+](C)CCC[NH+](C)Cc2ccco2)cs1 ZINC000285775775 434063385 /nfs/dbraw/zinc/06/33/85/434063385.db2.gz TWVHYQSLHOPDAM-UHFFFAOYSA-N 2 2 307.463 3.041 20 0 DGADLP Cc1nc(CC[N@@H+](C)CCC[NH+](C)Cc2ccco2)cs1 ZINC000285775775 434063392 /nfs/dbraw/zinc/06/33/92/434063392.db2.gz TWVHYQSLHOPDAM-UHFFFAOYSA-N 2 2 307.463 3.041 20 0 DGADLP Cc1nc(CC[NH+](C)CCC[N@@H+](C)Cc2ccco2)cs1 ZINC000285775775 434063403 /nfs/dbraw/zinc/06/34/03/434063403.db2.gz TWVHYQSLHOPDAM-UHFFFAOYSA-N 2 2 307.463 3.041 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OCC ZINC000414964499 293896817 /nfs/dbraw/zinc/89/68/17/293896817.db2.gz YNAJNMJUNPIZCY-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414966905 293897485 /nfs/dbraw/zinc/89/74/85/293897485.db2.gz WTUHFFHXZFIGIB-HUUCEWRRSA-N 2 2 305.466 3.115 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874480 434071835 /nfs/dbraw/zinc/07/18/35/434071835.db2.gz DASOZPGIIAUGDR-UWVAXJGDSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874480 434071842 /nfs/dbraw/zinc/07/18/42/434071842.db2.gz DASOZPGIIAUGDR-UWVAXJGDSA-N 3 2 315.505 3.291 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422872217 293914209 /nfs/dbraw/zinc/91/42/09/293914209.db2.gz GENSZYCTZQEXBF-KBPBESRZSA-N 2 2 314.376 3.046 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000422878601 434076259 /nfs/dbraw/zinc/07/62/59/434076259.db2.gz TXZJONOSIJSKLH-OGHNNQOOSA-N 2 2 306.425 3.406 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422882711 434080343 /nfs/dbraw/zinc/08/03/43/434080343.db2.gz STIFNDKOJRTWCP-ZDUSSCGKSA-N 2 2 322.412 3.355 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)CCO1 ZINC000450283578 434080671 /nfs/dbraw/zinc/08/06/71/434080671.db2.gz JCKULBBFWXETQY-ZETNRXDVSA-N 2 2 314.473 3.275 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)CCO1 ZINC000450283578 434080681 /nfs/dbraw/zinc/08/06/81/434080681.db2.gz JCKULBBFWXETQY-ZETNRXDVSA-N 2 2 314.473 3.275 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000422886544 434082932 /nfs/dbraw/zinc/08/29/32/434082932.db2.gz WWVOIRNTIOBKLL-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000422886544 434082941 /nfs/dbraw/zinc/08/29/41/434082941.db2.gz WWVOIRNTIOBKLL-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306545020 434085905 /nfs/dbraw/zinc/08/59/05/434085905.db2.gz VLYGALORQLXYKP-FQEVSTJZSA-N 2 2 312.457 3.001 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306545020 434085914 /nfs/dbraw/zinc/08/59/14/434085914.db2.gz VLYGALORQLXYKP-FQEVSTJZSA-N 2 2 312.457 3.001 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422886929 434088573 /nfs/dbraw/zinc/08/85/73/434088573.db2.gz AARFDGCELSZKGR-IIAWOOMASA-N 2 2 306.450 3.275 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000422903052 434094880 /nfs/dbraw/zinc/09/48/80/434094880.db2.gz NXBOQGDJBXMUEQ-SLEUVZQESA-N 2 2 316.367 3.419 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]1 ZINC000422901587 434096725 /nfs/dbraw/zinc/09/67/25/434096725.db2.gz SGAZUZROGIEWKZ-RYUDHWBXSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cccc(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)c1 ZINC000353387689 434099792 /nfs/dbraw/zinc/09/97/92/434099792.db2.gz ZPMXCHNGULQUMG-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422855646 434055820 /nfs/dbraw/zinc/05/58/20/434055820.db2.gz CWVBQIQSQPVUNV-CZUORRHYSA-N 2 2 323.868 3.097 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422926737 434112930 /nfs/dbraw/zinc/11/29/30/434112930.db2.gz DTLQSGZBAZANHR-WFASDCNBSA-N 2 2 324.852 3.122 20 0 DGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422930037 434116545 /nfs/dbraw/zinc/11/65/45/434116545.db2.gz AUBKFTRVJOSSMJ-VKJFTORMSA-N 2 2 317.477 3.291 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000493667786 294002428 /nfs/dbraw/zinc/00/24/28/294002428.db2.gz ADCQJIFDEQVHKW-MDASCCDHSA-N 2 2 304.453 3.465 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000493667786 294002429 /nfs/dbraw/zinc/00/24/29/294002429.db2.gz ADCQJIFDEQVHKW-MDASCCDHSA-N 2 2 304.453 3.465 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000497179028 294011053 /nfs/dbraw/zinc/01/10/53/294011053.db2.gz QERLLAJGKLJQBG-GJZGRUSLSA-N 2 2 321.465 3.214 20 0 DGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000353433525 434125921 /nfs/dbraw/zinc/12/59/21/434125921.db2.gz GUIWRGIBCXSLKB-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)Cc1ccccc1 ZINC000507508818 294302645 /nfs/dbraw/zinc/30/26/45/294302645.db2.gz KLTJGLAHJPKUSP-HOJAQTOUSA-N 2 2 318.505 3.344 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000510548907 294385825 /nfs/dbraw/zinc/38/58/25/294385825.db2.gz BXNOCQQZDYIRRU-MOPGFXCFSA-N 2 2 307.441 3.316 20 0 DGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)c1 ZINC000422950468 434133199 /nfs/dbraw/zinc/13/31/99/434133199.db2.gz WAQUTIQSMZMQIN-JLSDUUJJSA-N 2 2 317.477 3.291 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])o2)cs1 ZINC000422951077 434133240 /nfs/dbraw/zinc/13/32/40/434133240.db2.gz XKBUPNIAQGMTMK-UONOGXRCSA-N 2 2 305.447 3.461 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@H]1CCCC[NH2+]1 ZINC000422965097 434142483 /nfs/dbraw/zinc/14/24/83/434142483.db2.gz NRGHAVFTMVTGCS-RBUKOAKNSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363778795 434143925 /nfs/dbraw/zinc/14/39/25/434143925.db2.gz CELFPVQRSAWFRP-QEJZJMRPSA-N 2 2 323.506 3.089 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363778795 434143936 /nfs/dbraw/zinc/14/39/36/434143936.db2.gz CELFPVQRSAWFRP-QEJZJMRPSA-N 2 2 323.506 3.089 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000340460724 434144125 /nfs/dbraw/zinc/14/41/25/434144125.db2.gz HWUFMYOSOIATJD-KRWDZBQOSA-N 2 2 307.397 3.250 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccncc1F ZINC000340471546 434147104 /nfs/dbraw/zinc/14/71/04/434147104.db2.gz YEQGUJFRRDQPRG-HNNXBMFYSA-N 2 2 324.403 3.359 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422976917 434147950 /nfs/dbraw/zinc/14/79/50/434147950.db2.gz DXBKMWAQFRRRBM-KBRIMQKVSA-N 2 2 310.869 3.018 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000422988710 434153491 /nfs/dbraw/zinc/15/34/91/434153491.db2.gz JUTKNTJUUNJTHM-VHBXLISGSA-N 2 2 316.489 3.244 20 0 DGADLP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450400223 434154256 /nfs/dbraw/zinc/15/42/56/434154256.db2.gz FRRQSAMPKGRCHI-MRXNPFEDSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450400223 434154266 /nfs/dbraw/zinc/15/42/66/434154266.db2.gz FRRQSAMPKGRCHI-MRXNPFEDSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450409058 434158811 /nfs/dbraw/zinc/15/88/11/434158811.db2.gz WVBWOIFXPWTTBJ-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450409058 434158814 /nfs/dbraw/zinc/15/88/14/434158814.db2.gz WVBWOIFXPWTTBJ-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCSCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423011957 434168411 /nfs/dbraw/zinc/16/84/11/434168411.db2.gz JSWBPULALMPXKU-QZTJIDSGSA-N 2 2 322.518 3.467 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340521957 434179921 /nfs/dbraw/zinc/17/99/21/434179921.db2.gz YOBYVMDPPQYFOY-NEPXVJNWSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340521957 434179926 /nfs/dbraw/zinc/17/99/26/434179926.db2.gz YOBYVMDPPQYFOY-NEPXVJNWSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)[C@@H]1CCCC[NH2+]1 ZINC000423037722 434182224 /nfs/dbraw/zinc/18/22/24/434182224.db2.gz WYNRRSRYCHLORX-MOPGFXCFSA-N 2 2 312.461 3.191 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423037797 434184881 /nfs/dbraw/zinc/18/48/81/434184881.db2.gz BZCVFHVZCKTTPJ-AYOQOUSVSA-N 2 2 302.462 3.275 20 0 DGADLP C[C@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)[C@H]1CCC[NH2+]1 ZINC000423048362 434188588 /nfs/dbraw/zinc/18/85/88/434188588.db2.gz IQAZKCAVNKOWKG-IINYFYTJSA-N 2 2 322.250 3.161 20 0 DGADLP c1ccc(-c2cnc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nc2)cc1 ZINC000423054868 434194782 /nfs/dbraw/zinc/19/47/82/434194782.db2.gz VKWZNEYKHCVVIM-GUDVDZBRSA-N 2 2 322.456 3.154 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423054658 434194863 /nfs/dbraw/zinc/19/48/63/434194863.db2.gz BYWYAIUEVNBOLD-VNHYZAJKSA-N 2 2 304.459 3.319 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)[C@H]1CCC[NH2+]1 ZINC000423081582 434210079 /nfs/dbraw/zinc/21/00/79/434210079.db2.gz DBQBYCJZBIFTSC-CZUORRHYSA-N 2 2 315.392 3.243 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090503 434212033 /nfs/dbraw/zinc/21/20/33/434212033.db2.gz XVCPNMNZNUPYQU-XDNAFOTISA-N 3 2 307.526 3.007 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423090503 434212042 /nfs/dbraw/zinc/21/20/42/434212042.db2.gz XVCPNMNZNUPYQU-XDNAFOTISA-N 3 2 307.526 3.007 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000295118954 434212364 /nfs/dbraw/zinc/21/23/64/434212364.db2.gz YHBUFWJTQFZNPK-ZVZYQTTQSA-N 2 2 321.534 3.084 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000295118954 434212373 /nfs/dbraw/zinc/21/23/73/434212373.db2.gz YHBUFWJTQFZNPK-ZVZYQTTQSA-N 2 2 321.534 3.084 20 0 DGADLP C[N@H+]1C[C@H]2CN(c3cc[nH+]c4cc(F)c(Cl)cc43)C[C@H]2C1 ZINC000450482735 434215455 /nfs/dbraw/zinc/21/54/55/434215455.db2.gz HUQLRVWMZCMMTN-PHIMTYICSA-N 2 2 305.784 3.025 20 0 DGADLP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c4cc(F)c(Cl)cc43)C[C@H]2C1 ZINC000450482735 434215464 /nfs/dbraw/zinc/21/54/64/434215464.db2.gz HUQLRVWMZCMMTN-PHIMTYICSA-N 2 2 305.784 3.025 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423131524 434240191 /nfs/dbraw/zinc/24/01/91/434240191.db2.gz ZYVGCTPIQCEOLW-QZTJIDSGSA-N 2 2 320.477 3.141 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423127679 434240693 /nfs/dbraw/zinc/24/06/93/434240693.db2.gz CIKNGJVVSDXKKK-OLZOCXBDSA-N 2 2 302.340 3.047 20 0 DGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000320826304 434241778 /nfs/dbraw/zinc/24/17/78/434241778.db2.gz MYHFJBNGTPCSDK-AWEZNQCLSA-N 2 2 316.449 3.124 20 0 DGADLP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423143203 434244383 /nfs/dbraw/zinc/24/43/83/434244383.db2.gz COUCNECYIFWDLN-ZDUSSCGKSA-N 3 2 306.841 3.133 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423166881 434257564 /nfs/dbraw/zinc/25/75/64/434257564.db2.gz ZREXFBHVIXEOEF-IUODEOHRSA-N 2 2 323.362 3.149 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cncc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379652016 434259839 /nfs/dbraw/zinc/25/98/39/434259839.db2.gz VRMSGZCPLHIFRD-HNNXBMFYSA-N 2 2 301.409 3.221 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cncc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379652016 434259848 /nfs/dbraw/zinc/25/98/48/434259848.db2.gz VRMSGZCPLHIFRD-HNNXBMFYSA-N 2 2 301.409 3.221 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346700299 434260546 /nfs/dbraw/zinc/26/05/46/434260546.db2.gz GJQHENZAOAEFIV-PBWTXFEYSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346700299 434260555 /nfs/dbraw/zinc/26/05/55/434260555.db2.gz GJQHENZAOAEFIV-PBWTXFEYSA-N 2 2 304.478 3.036 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423167181 434261186 /nfs/dbraw/zinc/26/11/86/434261186.db2.gz DRUPVWQIDIRGJT-GHMZBOCLSA-N 2 2 303.631 3.072 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423169491 434262835 /nfs/dbraw/zinc/26/28/35/434262835.db2.gz WBBVDCZBDHHNDI-LULLPPNCSA-N 2 2 318.461 3.034 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000423185465 434271218 /nfs/dbraw/zinc/27/12/18/434271218.db2.gz JMRFJNNCERWRLD-GOEBONIOSA-N 2 2 306.450 3.277 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187894 434271387 /nfs/dbraw/zinc/27/13/87/434271387.db2.gz YKWQTAVDNJATFR-MJGOQNOKSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187894 434271397 /nfs/dbraw/zinc/27/13/97/434271397.db2.gz YKWQTAVDNJATFR-MJGOQNOKSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423187982 434272639 /nfs/dbraw/zinc/27/26/39/434272639.db2.gz YWEVHMUSIRFFIT-HKUYNNGSSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423187982 434272644 /nfs/dbraw/zinc/27/26/44/434272644.db2.gz YWEVHMUSIRFFIT-HKUYNNGSSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423107688 434223491 /nfs/dbraw/zinc/22/34/91/434223491.db2.gz QANSZNORVHVURQ-STQMWFEESA-N 2 2 316.898 3.081 20 0 DGADLP C[C@@H](CCO)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295148318 434227580 /nfs/dbraw/zinc/22/75/80/434227580.db2.gz QWEHAMUPILZUDW-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000295152060 434228732 /nfs/dbraw/zinc/22/87/32/434228732.db2.gz RFXYLNDXHACTEL-UHFFFAOYSA-N 2 2 320.799 3.028 20 0 DGADLP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000423113874 434229245 /nfs/dbraw/zinc/22/92/45/434229245.db2.gz UVMPOZNNJADGCU-NZVBXONLSA-N 2 2 317.260 3.147 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000423124027 434232506 /nfs/dbraw/zinc/23/25/06/434232506.db2.gz NYYHYZNQQNKIIS-LBPRGKRZSA-N 2 2 305.372 3.291 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000346244528 434234016 /nfs/dbraw/zinc/23/40/16/434234016.db2.gz QWLDEGXOSAYPJO-UHFFFAOYSA-N 2 2 319.836 3.388 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000346251567 434238283 /nfs/dbraw/zinc/23/82/83/434238283.db2.gz KZRCYLHVUCEBHN-HNNXBMFYSA-N 2 2 319.836 3.388 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+](C)C)cc1 ZINC000423130814 434239216 /nfs/dbraw/zinc/23/92/16/434239216.db2.gz SEHSGZZDLBQVKJ-LPHOPBHVSA-N 3 2 305.510 3.205 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423196984 434279373 /nfs/dbraw/zinc/27/93/73/434279373.db2.gz XDNNJDQHVNONQD-WCQYABFASA-N 2 2 300.418 3.446 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000325827494 434280310 /nfs/dbraw/zinc/28/03/10/434280310.db2.gz OIZZVRNVNOLFNZ-CVEARBPZSA-N 2 2 320.436 3.209 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000325827494 434280316 /nfs/dbraw/zinc/28/03/16/434280316.db2.gz OIZZVRNVNOLFNZ-CVEARBPZSA-N 2 2 320.436 3.209 20 0 DGADLP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000423207566 434284938 /nfs/dbraw/zinc/28/49/38/434284938.db2.gz RWEXZZWXAKQGSR-FZMZJTMJSA-N 2 2 317.433 3.278 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H](C)C1 ZINC000423206220 434286387 /nfs/dbraw/zinc/28/63/87/434286387.db2.gz BOEWFTZSELMZBO-CRAIPNDOSA-N 2 2 317.477 3.204 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H](C)C1 ZINC000423206220 434286398 /nfs/dbraw/zinc/28/63/98/434286398.db2.gz BOEWFTZSELMZBO-CRAIPNDOSA-N 2 2 317.477 3.204 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)cc(C)nc2OC)CC1 ZINC000286676546 434286570 /nfs/dbraw/zinc/28/65/70/434286570.db2.gz ABJAIHHYGKZWMQ-UHFFFAOYSA-N 2 2 305.466 3.013 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C)nc2OC)CC1 ZINC000286676546 434286578 /nfs/dbraw/zinc/28/65/78/434286578.db2.gz ABJAIHHYGKZWMQ-UHFFFAOYSA-N 2 2 305.466 3.013 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423210951 434287565 /nfs/dbraw/zinc/28/75/65/434287565.db2.gz KHWPAUVHENFMCS-ZIAGYGMSSA-N 2 2 301.459 3.460 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000348387627 434293502 /nfs/dbraw/zinc/29/35/02/434293502.db2.gz ZFQWPRVGKCBKPP-OKYOBFRVSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000348387627 434293508 /nfs/dbraw/zinc/29/35/08/434293508.db2.gz ZFQWPRVGKCBKPP-OKYOBFRVSA-N 2 2 316.489 3.036 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1ccn(C)n1 ZINC000423232361 434298437 /nfs/dbraw/zinc/29/84/37/434298437.db2.gz BZDLREZEXWFGMF-SJORKVTESA-N 2 2 300.450 3.284 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423233031 434298879 /nfs/dbraw/zinc/29/88/79/434298879.db2.gz DCKOPDLJTONRSW-CXAGYDPISA-N 2 2 301.409 3.242 20 0 DGADLP FC(F)(F)Oc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231870 434300305 /nfs/dbraw/zinc/30/03/05/434300305.db2.gz HFYXXPIIJIPENV-UKRRQHHQSA-N 2 2 314.351 3.378 20 0 DGADLP c1csc(CCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000358033785 434300666 /nfs/dbraw/zinc/30/06/66/434300666.db2.gz GBAMYAKKIQXZNU-QGZVFWFLSA-N 2 2 315.486 3.330 20 0 DGADLP c1csc(CCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000358033785 434300676 /nfs/dbraw/zinc/30/06/76/434300676.db2.gz GBAMYAKKIQXZNU-QGZVFWFLSA-N 2 2 315.486 3.330 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000423232257 434301146 /nfs/dbraw/zinc/30/11/46/434301146.db2.gz HZBFUKYOBGBZIZ-WBVHZDCISA-N 2 2 312.461 3.200 20 0 DGADLP CC(C)[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423231803 434301241 /nfs/dbraw/zinc/30/12/41/434301241.db2.gz LYQKCPWNSOLJNS-LJQANCHMSA-N 2 2 310.445 3.300 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000423237872 434302978 /nfs/dbraw/zinc/30/29/78/434302978.db2.gz QGNWLQFAMIOOAF-IUODEOHRSA-N 2 2 318.852 3.237 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000423238777 434304780 /nfs/dbraw/zinc/30/47/80/434304780.db2.gz JITGHCYCCZIKMV-YOEHRIQHSA-N 2 2 312.413 3.199 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)sc1Br ZINC000423235179 434305569 /nfs/dbraw/zinc/30/55/69/434305569.db2.gz MVTSPZIPQTZTKH-VHSXEESVSA-N 2 2 303.269 3.222 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c[nH+]1 ZINC000353652533 434307186 /nfs/dbraw/zinc/30/71/86/434307186.db2.gz RLJCHEQSSHHDOU-JOCHJYFZSA-N 2 2 316.470 3.192 20 0 DGADLP Cc1ccc(CCC[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c[nH+]1 ZINC000353652533 434307195 /nfs/dbraw/zinc/30/71/95/434307195.db2.gz RLJCHEQSSHHDOU-JOCHJYFZSA-N 2 2 316.470 3.192 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423248947 434309322 /nfs/dbraw/zinc/30/93/22/434309322.db2.gz SFNWQLZTDAEJJJ-UONOGXRCSA-N 2 2 301.459 3.373 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423245386 434310352 /nfs/dbraw/zinc/31/03/52/434310352.db2.gz OWGOKYMAUQMLKA-OXJNMPFZSA-N 2 2 320.440 3.282 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000423244474 434311074 /nfs/dbraw/zinc/31/10/74/434311074.db2.gz XQGZQECFKTUJDI-WCQYABFASA-N 2 2 302.340 3.030 20 0 DGADLP Cc1ccc(CCC[N@H+](CCO)[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000353662155 434312528 /nfs/dbraw/zinc/31/25/28/434312528.db2.gz RDRMSYRCMRQOTQ-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1ccc(CCC[N@@H+](CCO)[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000353662155 434312538 /nfs/dbraw/zinc/31/25/38/434312538.db2.gz RDRMSYRCMRQOTQ-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423250613 434313097 /nfs/dbraw/zinc/31/30/97/434313097.db2.gz UUAWQQJRFYPOJA-CYBMUJFWSA-N 2 2 306.397 3.309 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423250614 434315788 /nfs/dbraw/zinc/31/57/88/434315788.db2.gz UUAWQQJRFYPOJA-ZDUSSCGKSA-N 2 2 306.397 3.309 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423249011 434316036 /nfs/dbraw/zinc/31/60/36/434316036.db2.gz SMVIUQSAOGUIKT-CZUORRHYSA-N 2 2 300.402 3.054 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955324 434316825 /nfs/dbraw/zinc/31/68/25/434316825.db2.gz YEZSCMKCIONCHZ-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955324 434316836 /nfs/dbraw/zinc/31/68/36/434316836.db2.gz YEZSCMKCIONCHZ-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312734 434322309 /nfs/dbraw/zinc/32/23/09/434322309.db2.gz BOSNCIXYLFNNCL-OALUTQOASA-N 3 2 315.505 3.148 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312734 434322317 /nfs/dbraw/zinc/32/23/17/434322317.db2.gz BOSNCIXYLFNNCL-OALUTQOASA-N 3 2 315.505 3.148 20 0 DGADLP CC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000387501091 434322438 /nfs/dbraw/zinc/32/24/38/434322438.db2.gz XQCRROZHYYNAJO-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000387501091 434322445 /nfs/dbraw/zinc/32/24/45/434322445.db2.gz XQCRROZHYYNAJO-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287299165 434327291 /nfs/dbraw/zinc/32/72/91/434327291.db2.gz KLIQKCDGVRHTTM-UHFFFAOYSA-N 2 2 308.429 3.442 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287310447 434330925 /nfs/dbraw/zinc/33/09/25/434330925.db2.gz LEMOSOPYZNPDPS-LEAZDLGRSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287310447 434330935 /nfs/dbraw/zinc/33/09/35/434330935.db2.gz LEMOSOPYZNPDPS-LEAZDLGRSA-N 2 2 316.489 3.444 20 0 DGADLP Clc1ccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423196654 434277828 /nfs/dbraw/zinc/27/78/28/434277828.db2.gz VUTSVUKTPGZSDO-QZTJIDSGSA-N 2 2 315.848 3.360 20 0 DGADLP c1ccc(C([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000325858162 434278397 /nfs/dbraw/zinc/27/83/97/434278397.db2.gz XGRUWQVVNMIORY-PMACEKPBSA-N 2 2 322.452 3.229 20 0 DGADLP c1ccc(C([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000325858162 434278406 /nfs/dbraw/zinc/27/84/06/434278406.db2.gz XGRUWQVVNMIORY-PMACEKPBSA-N 2 2 322.452 3.229 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423322113 434361130 /nfs/dbraw/zinc/36/11/30/434361130.db2.gz NOTJFEILIMUVJI-KBXCAEBGSA-N 2 2 312.461 3.185 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390548430 434363657 /nfs/dbraw/zinc/36/36/57/434363657.db2.gz AGNWIVMNNSWMFN-GUDVDZBRSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390548430 434363664 /nfs/dbraw/zinc/36/36/64/434363664.db2.gz AGNWIVMNNSWMFN-GUDVDZBRSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000287449436 434363827 /nfs/dbraw/zinc/36/38/27/434363827.db2.gz HXISEDXQSSXXPB-AWEZNQCLSA-N 2 2 318.446 3.184 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000417356369 434364509 /nfs/dbraw/zinc/36/45/09/434364509.db2.gz PKBFGQMTLIRRJY-UHFFFAOYSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000417356369 434364519 /nfs/dbraw/zinc/36/45/19/434364519.db2.gz PKBFGQMTLIRRJY-UHFFFAOYSA-N 3 2 315.505 3.113 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450724880 434364577 /nfs/dbraw/zinc/36/45/77/434364577.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450724880 434364583 /nfs/dbraw/zinc/36/45/83/434364583.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724880 434364596 /nfs/dbraw/zinc/36/45/96/434364596.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724880 434364602 /nfs/dbraw/zinc/36/46/02/434364602.db2.gz HGYOLNTVZDALHB-CMKODMSKSA-N 3 2 321.553 3.492 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000366229255 434366982 /nfs/dbraw/zinc/36/69/82/434366982.db2.gz HRWQCZIEBFLZKS-BEFAXECRSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000366229255 434366993 /nfs/dbraw/zinc/36/69/93/434366993.db2.gz HRWQCZIEBFLZKS-BEFAXECRSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000287459602 434367704 /nfs/dbraw/zinc/36/77/04/434367704.db2.gz VQVICLTYBUUYSI-ATZDWAIDSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000287459602 434367716 /nfs/dbraw/zinc/36/77/16/434367716.db2.gz VQVICLTYBUUYSI-ATZDWAIDSA-N 2 2 324.472 3.050 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423339460 434370506 /nfs/dbraw/zinc/37/05/06/434370506.db2.gz VCTMJUYOMIQSLT-DNVCBOLYSA-N 3 2 312.461 3.221 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000517957683 294699817 /nfs/dbraw/zinc/69/98/17/294699817.db2.gz URNKFNGAJGUBLV-ARJAWSKDSA-N 2 2 322.880 3.178 20 0 DGADLP Cn1c2ccccc2[nH+]c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340820837 434371255 /nfs/dbraw/zinc/37/12/55/434371255.db2.gz IXPTUMLIYSVAML-UHFFFAOYSA-N 2 2 323.444 3.467 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000450751817 434388728 /nfs/dbraw/zinc/38/87/28/434388728.db2.gz FFRYVQAZXQDBPI-CABCVRRESA-N 2 2 322.522 3.406 20 0 DGADLP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544356 434388926 /nfs/dbraw/zinc/38/89/26/434388926.db2.gz IWHHFRVZUTWGDL-GJZGRUSLSA-N 2 2 319.474 3.449 20 0 DGADLP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544356 434388934 /nfs/dbraw/zinc/38/89/34/434388934.db2.gz IWHHFRVZUTWGDL-GJZGRUSLSA-N 2 2 319.474 3.449 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000423373314 434390127 /nfs/dbraw/zinc/39/01/27/434390127.db2.gz RVYFTSOOVPANQO-BZNIZROVSA-N 2 2 312.417 3.157 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000518791014 294736903 /nfs/dbraw/zinc/73/69/03/294736903.db2.gz TZVXXMCHGOTWQP-AWEZNQCLSA-N 2 2 310.869 3.226 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150413 434345811 /nfs/dbraw/zinc/34/58/11/434345811.db2.gz DGIVFVRKEJQOHB-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150413 434345821 /nfs/dbraw/zinc/34/58/21/434345821.db2.gz DGIVFVRKEJQOHB-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150413 434345833 /nfs/dbraw/zinc/34/58/33/434345833.db2.gz DGIVFVRKEJQOHB-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150413 434345846 /nfs/dbraw/zinc/34/58/46/434345846.db2.gz DGIVFVRKEJQOHB-KBPBESRZSA-N 2 2 307.507 3.357 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423287782 434346071 /nfs/dbraw/zinc/34/60/71/434346071.db2.gz ONAVQCHKXZMZGL-AWEZNQCLSA-N 3 2 300.450 3.349 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000423304386 434349490 /nfs/dbraw/zinc/34/94/90/434349490.db2.gz YNQUJPHUWFUYIP-ZWKOTPCHSA-N 2 2 301.409 3.417 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000389852243 434351529 /nfs/dbraw/zinc/35/15/29/434351529.db2.gz WSGOJPOKKNYMBO-CDHQVMDDSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000389852243 434351537 /nfs/dbraw/zinc/35/15/37/434351537.db2.gz WSGOJPOKKNYMBO-CDHQVMDDSA-N 2 2 322.452 3.490 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccc(F)cc2)cc1 ZINC000423310420 434353275 /nfs/dbraw/zinc/35/32/75/434353275.db2.gz AKZZJEBFVIPYFI-MOPGFXCFSA-N 2 2 314.404 3.251 20 0 DGADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417315572 434353400 /nfs/dbraw/zinc/35/34/00/434353400.db2.gz SJHAOOPMYQYPGJ-HLPPOEQASA-N 2 2 310.532 3.267 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322853 434353646 /nfs/dbraw/zinc/35/36/46/434353646.db2.gz NHPDFAMKAMRIRB-OVYGPGRDSA-N 2 2 322.518 3.329 20 0 DGADLP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423312785 434353826 /nfs/dbraw/zinc/35/38/26/434353826.db2.gz VSOGYNDMORSUOZ-XHDPSFHLSA-N 2 2 323.234 3.316 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423313774 434354207 /nfs/dbraw/zinc/35/42/07/434354207.db2.gz UUWLDUGVYLVUPB-LLVKDONJSA-N 2 2 315.255 3.108 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423315346 434354229 /nfs/dbraw/zinc/35/42/29/434354229.db2.gz XIBFAWFDLXVLEB-IAGOWNOFSA-N 2 2 310.869 3.019 20 0 DGADLP Cc1[nH+]ccn1CCCNc1[nH+]ccc(C)c1Br ZINC000287404965 434354862 /nfs/dbraw/zinc/35/48/62/434354862.db2.gz SMDYATJEIUDNMT-UHFFFAOYSA-N 2 2 309.211 3.160 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321293 434354996 /nfs/dbraw/zinc/35/49/96/434354996.db2.gz LHPGTLJAFXSGCN-WCXIOVBPSA-N 2 2 322.518 3.187 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321293 434355003 /nfs/dbraw/zinc/35/50/03/434355003.db2.gz LHPGTLJAFXSGCN-WCXIOVBPSA-N 2 2 322.518 3.187 20 0 DGADLP CC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390546364 434360207 /nfs/dbraw/zinc/36/02/07/434360207.db2.gz ISQKZYDZHDWUBC-LYBXBRPPSA-N 2 2 316.489 3.446 20 0 DGADLP CC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390546364 434360216 /nfs/dbraw/zinc/36/02/16/434360216.db2.gz ISQKZYDZHDWUBC-LYBXBRPPSA-N 2 2 316.489 3.446 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747628 434392326 /nfs/dbraw/zinc/39/23/26/434392326.db2.gz PNUBANJPSOOLFZ-LPHOPBHVSA-N 2 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747628 434392337 /nfs/dbraw/zinc/39/23/37/434392337.db2.gz PNUBANJPSOOLFZ-LPHOPBHVSA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747628 434392347 /nfs/dbraw/zinc/39/23/47/434392347.db2.gz PNUBANJPSOOLFZ-LPHOPBHVSA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC000353747628 434392360 /nfs/dbraw/zinc/39/23/60/434392360.db2.gz PNUBANJPSOOLFZ-LPHOPBHVSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000423371334 434392701 /nfs/dbraw/zinc/39/27/01/434392701.db2.gz QECXYZDOTKIGKN-SMDDNHRTSA-N 2 2 312.417 3.157 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1cscn1 ZINC000450761360 434395638 /nfs/dbraw/zinc/39/56/38/434395638.db2.gz RFXHPFAHLQANKJ-GOSISDBHSA-N 2 2 317.502 3.432 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1cscn1 ZINC000450761360 434395650 /nfs/dbraw/zinc/39/56/50/434395650.db2.gz RFXHPFAHLQANKJ-GOSISDBHSA-N 2 2 317.502 3.432 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]CC[C@H]1CCOC1)c1cccc(OC)c1 ZINC000438082880 434398508 /nfs/dbraw/zinc/39/85/08/434398508.db2.gz WGDDUHKONLXUEG-LPHOPBHVSA-N 2 2 320.477 3.094 20 0 DGADLP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000414224685 294785443 /nfs/dbraw/zinc/78/54/43/294785443.db2.gz AVDCWDUSGUTYCE-SWLSCSKDSA-N 2 2 322.415 3.196 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423397740 434400306 /nfs/dbraw/zinc/40/03/06/434400306.db2.gz UXWBNVFGYZGJFY-GUYCJALGSA-N 2 2 306.450 3.133 20 0 DGADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000519693427 294786299 /nfs/dbraw/zinc/78/62/99/294786299.db2.gz PSDVBGQNMJKMLP-OAGGEKHMSA-N 2 2 319.497 3.137 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)n1C ZINC000519710662 294789422 /nfs/dbraw/zinc/78/94/22/294789422.db2.gz NYFJHMBBDCJRNB-UHFFFAOYSA-N 2 2 320.849 3.324 20 0 DGADLP COC[C@@]1(C[NH2+]C2c3ccccc3-c3ccccc32)CCC[NH2+]1 ZINC000423412067 434409326 /nfs/dbraw/zinc/40/93/26/434409326.db2.gz GZSLABQSNRJQCO-FQEVSTJZSA-N 2 2 308.425 3.115 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423416283 434409369 /nfs/dbraw/zinc/40/93/69/434409369.db2.gz FQWARLQPNLVWRE-YSSFQJQWSA-N 2 2 310.441 3.239 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423415644 434410094 /nfs/dbraw/zinc/41/00/94/434410094.db2.gz DZZIBKAEKDRMPO-PMACEKPBSA-N 2 2 307.441 3.410 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc3c(s2)CCCC3)CCC[NH2+]1 ZINC000423413612 434410448 /nfs/dbraw/zinc/41/04/48/434410448.db2.gz LAWVNYARNBJTLE-DYVFJYSZSA-N 2 2 308.491 3.046 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CCC[NH2+]1 ZINC000423415614 434410494 /nfs/dbraw/zinc/41/04/94/434410494.db2.gz DWBWICBHPXIFMF-KXBFYZLASA-N 2 2 314.429 3.366 20 0 DGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423421105 434414307 /nfs/dbraw/zinc/41/43/07/434414307.db2.gz XPBAYGWCAPNNGA-IFXJQAMLSA-N 2 2 316.445 3.414 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423430650 434419498 /nfs/dbraw/zinc/41/94/98/434419498.db2.gz PWIKLGDBYMFNOU-VQTJNVASSA-N 2 2 308.425 3.159 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480708 434426907 /nfs/dbraw/zinc/42/69/07/434426907.db2.gz JUVZZLXJNNOHIK-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480708 434426915 /nfs/dbraw/zinc/42/69/15/434426915.db2.gz JUVZZLXJNNOHIK-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480708 434426923 /nfs/dbraw/zinc/42/69/23/434426923.db2.gz JUVZZLXJNNOHIK-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480708 434426931 /nfs/dbraw/zinc/42/69/31/434426931.db2.gz JUVZZLXJNNOHIK-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2COC(C)(C)C2)CCC1 ZINC000396849781 434427220 /nfs/dbraw/zinc/42/72/20/434427220.db2.gz KCCDECTYIOJJCL-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2COC(C)(C)C2)CCC1 ZINC000396849781 434427223 /nfs/dbraw/zinc/42/72/23/434427223.db2.gz KCCDECTYIOJJCL-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445260 434428963 /nfs/dbraw/zinc/42/89/63/434428963.db2.gz XTJDXYBXMFSYDR-QCBRBAQYSA-N 2 2 303.258 3.240 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190592 434432445 /nfs/dbraw/zinc/43/24/45/434432445.db2.gz OJVWPPPXGZKFIH-QFBILLFUSA-N 2 2 302.462 3.308 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190592 434432453 /nfs/dbraw/zinc/43/24/53/434432453.db2.gz OJVWPPPXGZKFIH-QFBILLFUSA-N 2 2 302.462 3.308 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000287692368 434432972 /nfs/dbraw/zinc/43/29/72/434432972.db2.gz YZSPWHBNCKRZDP-UHFFFAOYSA-N 2 2 318.465 3.476 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000397406093 434437398 /nfs/dbraw/zinc/43/73/98/434437398.db2.gz OTDBACBWTVXEGG-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000397406093 434437406 /nfs/dbraw/zinc/43/74/06/434437406.db2.gz OTDBACBWTVXEGG-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423465724 434437671 /nfs/dbraw/zinc/43/76/71/434437671.db2.gz NASSKIJDRFCVEI-RISCZKNCSA-N 2 2 315.230 3.366 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000397371874 434438913 /nfs/dbraw/zinc/43/89/13/434438913.db2.gz BYSYHFRVZBSBGO-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000397371874 434438921 /nfs/dbraw/zinc/43/89/21/434438921.db2.gz BYSYHFRVZBSBGO-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000295866292 434439764 /nfs/dbraw/zinc/43/97/64/434439764.db2.gz XCEUIXFNPDJCBK-RBUKOAKNSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000295866292 434439775 /nfs/dbraw/zinc/43/97/75/434439775.db2.gz XCEUIXFNPDJCBK-RBUKOAKNSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2cc(Cl)ccc2o1 ZINC000423497303 434458974 /nfs/dbraw/zinc/45/89/74/434458974.db2.gz YPTMHCCSBVBDDP-SMDDNHRTSA-N 2 2 308.809 3.115 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423497243 434459568 /nfs/dbraw/zinc/45/95/68/434459568.db2.gz YNGOZGROSMBFNB-GJZGRUSLSA-N 2 2 316.445 3.333 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000423496105 434461269 /nfs/dbraw/zinc/46/12/69/434461269.db2.gz DEKNEMKKBRSYTJ-NHYWBVRUSA-N 2 2 320.868 3.395 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423496880 434461833 /nfs/dbraw/zinc/46/18/33/434461833.db2.gz FRZCSFXHXQIJGQ-YOEHRIQHSA-N 2 2 322.456 3.486 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423521852 434470631 /nfs/dbraw/zinc/47/06/31/434470631.db2.gz LMFWINLZSNNZFT-GJZGRUSLSA-N 2 2 316.367 3.125 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[NH+]3CC[C@@H]3CCC[N@H+]3C)nc2c1 ZINC000295996517 434471243 /nfs/dbraw/zinc/47/12/43/434471243.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[NH+]3CC[C@@H]3CCC[N@@H+]3C)nc2c1 ZINC000295996517 434471251 /nfs/dbraw/zinc/47/12/51/434471251.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CC[C@@H]3CCC[NH+]3C)nc2c1 ZINC000295996517 434471260 /nfs/dbraw/zinc/47/12/60/434471260.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CC[C@@H]3CCC[NH+]3C)nc2c1 ZINC000295996517 434471269 /nfs/dbraw/zinc/47/12/69/434471269.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[NH+]3CC[C@@H]3CCC[N@H+]3C)[nH]c2c1 ZINC000295996517 434471281 /nfs/dbraw/zinc/47/12/81/434471281.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[NH+]3CC[C@@H]3CCC[N@@H+]3C)[nH]c2c1 ZINC000295996517 434471290 /nfs/dbraw/zinc/47/12/90/434471290.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@H+]3CC[C@@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996517 434471298 /nfs/dbraw/zinc/47/12/98/434471298.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@@H+]3CC[C@@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996517 434471309 /nfs/dbraw/zinc/47/13/09/434471309.db2.gz PLYLTPRZQPGLOG-YJBOKZPZSA-N 2 2 312.461 3.493 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296014302 434476197 /nfs/dbraw/zinc/47/61/97/434476197.db2.gz LVBFZFOPBBYXPE-IUODEOHRSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423522486 434477642 /nfs/dbraw/zinc/47/76/42/434477642.db2.gz MIOPZZBIXLDUBI-IUODEOHRSA-N 2 2 320.433 3.193 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2cccs2)cc1 ZINC000423525893 434477836 /nfs/dbraw/zinc/47/78/36/434477836.db2.gz PUWXQTBHMFAYDH-XJKSGUPXSA-N 2 2 302.443 3.054 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423522189 434478014 /nfs/dbraw/zinc/47/80/14/434478014.db2.gz RJNCDYKNIHDHCM-JQWIXIFHSA-N 2 2 303.233 3.023 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399820087 434480604 /nfs/dbraw/zinc/48/06/04/434480604.db2.gz PGVMYLHBBMGBBV-PXNSSMCTSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000399820087 434480608 /nfs/dbraw/zinc/48/06/08/434480608.db2.gz PGVMYLHBBMGBBV-PXNSSMCTSA-N 2 2 309.457 3.185 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000423535441 434481396 /nfs/dbraw/zinc/48/13/96/434481396.db2.gz XPXSREFPPAVJLW-VOBQZIQPSA-N 2 2 308.425 3.123 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400368909 434486920 /nfs/dbraw/zinc/48/69/20/434486920.db2.gz SWBXCQUCTSZCKZ-WDSOQIARSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400368909 434486926 /nfs/dbraw/zinc/48/69/26/434486926.db2.gz SWBXCQUCTSZCKZ-WDSOQIARSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2nccn21 ZINC000296033978 434486919 /nfs/dbraw/zinc/48/69/19/434486919.db2.gz QIIBHBVEZUDTCM-QAPCUYQASA-N 2 2 310.445 3.275 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)C ZINC000360045977 434491529 /nfs/dbraw/zinc/49/15/29/434491529.db2.gz NUVFYTOTHJWGDG-OALUTQOASA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360045977 434491538 /nfs/dbraw/zinc/49/15/38/434491538.db2.gz NUVFYTOTHJWGDG-OALUTQOASA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+]C2CCOCC2)[NH+](C)C)cc1 ZINC000348704537 434450245 /nfs/dbraw/zinc/45/02/45/434450245.db2.gz RNNFBFTZDNJNFI-IBGZPJMESA-N 2 2 304.478 3.256 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000348703550 434450751 /nfs/dbraw/zinc/45/07/51/434450751.db2.gz QSYCCLMBRKVFRP-MDNKFWRPSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000348703550 434450760 /nfs/dbraw/zinc/45/07/60/434450760.db2.gz QSYCCLMBRKVFRP-MDNKFWRPSA-N 2 2 316.489 3.038 20 0 DGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000438325883 434452147 /nfs/dbraw/zinc/45/21/47/434452147.db2.gz NSQCIQXWDXALHB-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000438325883 434452153 /nfs/dbraw/zinc/45/21/53/434452153.db2.gz NSQCIQXWDXALHB-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC4(CCOCC4)CC3)n2c1 ZINC000359975670 434455447 /nfs/dbraw/zinc/45/54/47/434455447.db2.gz RPAZIZJRKCVHPB-UHFFFAOYSA-N 2 2 313.445 3.472 20 0 DGADLP C[C@]1(C[NH2+]Cc2cncc(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000398106385 434455711 /nfs/dbraw/zinc/45/57/11/434455711.db2.gz PGNKCBLYEVUAHM-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP C[C@]1(C[NH2+]Cc2cncc(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000398106385 434455719 /nfs/dbraw/zinc/45/57/19/434455719.db2.gz PGNKCBLYEVUAHM-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2nc3cccc(Cl)c3n2C)CC1 ZINC000359973473 434458438 /nfs/dbraw/zinc/45/84/38/434458438.db2.gz AWTPEZPXRYVAAB-UHFFFAOYSA-N 2 2 320.868 3.191 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988847 434559892 /nfs/dbraw/zinc/55/98/92/434559892.db2.gz YHTMEWVRBHOSOU-VQTJNVASSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@@H]1CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353988847 434559899 /nfs/dbraw/zinc/55/98/99/434559899.db2.gz YHTMEWVRBHOSOU-VQTJNVASSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@@H]1CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353988847 434559904 /nfs/dbraw/zinc/55/99/04/434559904.db2.gz YHTMEWVRBHOSOU-VQTJNVASSA-N 2 2 315.505 3.115 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404366428 434511142 /nfs/dbraw/zinc/51/11/42/434511142.db2.gz PRNRTAOXQCZTPN-CJNGLKHVSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404366428 434511150 /nfs/dbraw/zinc/51/11/50/434511150.db2.gz PRNRTAOXQCZTPN-CJNGLKHVSA-N 2 2 323.868 3.036 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404325776 434511690 /nfs/dbraw/zinc/51/16/90/434511690.db2.gz UZKQHVNVWMLUOI-QAPCUYQASA-N 2 2 317.477 3.198 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404325776 434511697 /nfs/dbraw/zinc/51/16/97/434511697.db2.gz UZKQHVNVWMLUOI-QAPCUYQASA-N 2 2 317.477 3.198 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)[C@H]1CC[NH3+] ZINC000404347744 434512441 /nfs/dbraw/zinc/51/24/41/434512441.db2.gz HTUKDKNSVUMRCI-BBRMVZONSA-N 2 2 316.474 3.154 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)[C@H]1CC[NH3+] ZINC000404347744 434512449 /nfs/dbraw/zinc/51/24/49/434512449.db2.gz HTUKDKNSVUMRCI-BBRMVZONSA-N 2 2 316.474 3.154 20 0 DGADLP COc1ccc(C[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000348832402 434512692 /nfs/dbraw/zinc/51/26/92/434512692.db2.gz IOAPNODPAVPLII-OAHLLOKOSA-N 2 2 322.412 3.378 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn2c1 ZINC000341055475 434517168 /nfs/dbraw/zinc/51/71/68/434517168.db2.gz WXVUDYXMRLVRCI-MRXNPFEDSA-N 2 2 302.466 3.099 20 0 DGADLP CCC(CC)n1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000438614061 434518780 /nfs/dbraw/zinc/51/87/80/434518780.db2.gz UPROMWKCMJNIBH-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000438614061 434518787 /nfs/dbraw/zinc/51/87/87/434518787.db2.gz UPROMWKCMJNIBH-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000438614061 434518794 /nfs/dbraw/zinc/51/87/94/434518794.db2.gz UPROMWKCMJNIBH-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000438614061 434518804 /nfs/dbraw/zinc/51/88/04/434518804.db2.gz UPROMWKCMJNIBH-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP CC(C)[C@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CS1 ZINC000348838103 434520377 /nfs/dbraw/zinc/52/03/77/434520377.db2.gz MFPTVLVATBMRQP-HUUCEWRRSA-N 2 2 302.447 3.268 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000353928871 434533029 /nfs/dbraw/zinc/53/30/29/434533029.db2.gz MCAXUSCUVUBQEV-CALCHBBNSA-N 3 2 303.494 3.280 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000353928871 434533035 /nfs/dbraw/zinc/53/30/35/434533035.db2.gz MCAXUSCUVUBQEV-CALCHBBNSA-N 3 2 303.494 3.280 20 0 DGADLP FCCCCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451027011 434535473 /nfs/dbraw/zinc/53/54/73/434535473.db2.gz MFYSJLBXAGYLRI-MRXNPFEDSA-N 2 2 321.440 3.275 20 0 DGADLP FCCCCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451027011 434535481 /nfs/dbraw/zinc/53/54/81/434535481.db2.gz MFYSJLBXAGYLRI-MRXNPFEDSA-N 2 2 321.440 3.275 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000341084420 434537088 /nfs/dbraw/zinc/53/70/88/434537088.db2.gz XZXNCFVNUFCVFX-UHFFFAOYSA-N 2 2 322.456 3.254 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[N@H+](C)Cc3ccccc3)cn2c1 ZINC000341084420 434537100 /nfs/dbraw/zinc/53/71/00/434537100.db2.gz XZXNCFVNUFCVFX-UHFFFAOYSA-N 2 2 322.456 3.254 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000438907115 434540278 /nfs/dbraw/zinc/54/02/78/434540278.db2.gz KLTPMXMGMRLLDS-DOMZBBRYSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000438907115 434540284 /nfs/dbraw/zinc/54/02/84/434540284.db2.gz KLTPMXMGMRLLDS-DOMZBBRYSA-N 2 2 323.278 3.472 20 0 DGADLP CCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423840222 434551277 /nfs/dbraw/zinc/55/12/77/434551277.db2.gz INHIWWCLWUNNLN-MRXNPFEDSA-N 2 2 324.428 3.058 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988846 434559823 /nfs/dbraw/zinc/55/98/23/434559823.db2.gz YHTMEWVRBHOSOU-UXHICEINSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988846 434559829 /nfs/dbraw/zinc/55/98/29/434559829.db2.gz YHTMEWVRBHOSOU-UXHICEINSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@H]1CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353988846 434559833 /nfs/dbraw/zinc/55/98/33/434559833.db2.gz YHTMEWVRBHOSOU-UXHICEINSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@H]1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353988846 434559838 /nfs/dbraw/zinc/55/98/38/434559838.db2.gz YHTMEWVRBHOSOU-UXHICEINSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988847 434559888 /nfs/dbraw/zinc/55/98/88/434559888.db2.gz YHTMEWVRBHOSOU-VQTJNVASSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994279 434561728 /nfs/dbraw/zinc/56/17/28/434561728.db2.gz AJDAVUDFRRMBON-DLBZAZTESA-N 2 2 316.424 3.102 20 0 DGADLP CCC[N@H+]1CCC[C@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994279 434561735 /nfs/dbraw/zinc/56/17/35/434561735.db2.gz AJDAVUDFRRMBON-DLBZAZTESA-N 2 2 316.424 3.102 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000526983856 295067695 /nfs/dbraw/zinc/06/76/95/295067695.db2.gz HYMZCMGWSQAQCI-OAGGEKHMSA-N 2 2 320.477 3.127 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000526983856 295067696 /nfs/dbraw/zinc/06/76/96/295067696.db2.gz HYMZCMGWSQAQCI-OAGGEKHMSA-N 2 2 320.477 3.127 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000526983855 295067734 /nfs/dbraw/zinc/06/77/34/295067734.db2.gz HYMZCMGWSQAQCI-BZUAXINKSA-N 2 2 320.477 3.127 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000526983855 295067736 /nfs/dbraw/zinc/06/77/36/295067736.db2.gz HYMZCMGWSQAQCI-BZUAXINKSA-N 2 2 320.477 3.127 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000353995915 434565480 /nfs/dbraw/zinc/56/54/80/434565480.db2.gz MDXZHRHIAXTYJC-FUHWJXTLSA-N 2 2 304.503 3.481 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000353995915 434565487 /nfs/dbraw/zinc/56/54/87/434565487.db2.gz MDXZHRHIAXTYJC-FUHWJXTLSA-N 2 2 304.503 3.481 20 0 DGADLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000527637104 295107615 /nfs/dbraw/zinc/10/76/15/295107615.db2.gz ICQVBHQNRPHHGV-LLVKDONJSA-N 2 2 313.323 3.089 20 0 DGADLP C[C@H](C[NH2+]Cc1ccsc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000527649141 295109552 /nfs/dbraw/zinc/10/95/52/295109552.db2.gz OPOIKHVIRHUXSR-SNVBAGLBSA-N 2 2 303.353 3.389 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459373680 434573743 /nfs/dbraw/zinc/57/37/43/434573743.db2.gz VZGSEHXJVQEIPU-UHFFFAOYSA-N 2 2 315.461 3.119 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000527884111 295145463 /nfs/dbraw/zinc/14/54/63/295145463.db2.gz HAOJOZPLBAXSRF-INIZCTEOSA-N 2 2 303.450 3.183 20 0 DGADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000527890498 295145680 /nfs/dbraw/zinc/14/56/80/295145680.db2.gz ILXKJSVUBIXPMB-IAQYHMDHSA-N 2 2 305.784 3.268 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C(C)C)c1 ZINC000527905854 295148641 /nfs/dbraw/zinc/14/86/41/295148641.db2.gz XEZXJVFCELSDEQ-RTBURBONSA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C(C)C)c1 ZINC000527905854 295148643 /nfs/dbraw/zinc/14/86/43/295148643.db2.gz XEZXJVFCELSDEQ-RTBURBONSA-N 2 2 304.478 3.129 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999211 295162988 /nfs/dbraw/zinc/16/29/88/295162988.db2.gz FRHCIRZCEICVIY-SWLSCSKDSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999211 295162989 /nfs/dbraw/zinc/16/29/89/295162989.db2.gz FRHCIRZCEICVIY-SWLSCSKDSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999206 295163215 /nfs/dbraw/zinc/16/32/15/295163215.db2.gz FRHCIRZCEICVIY-DOMZBBRYSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999206 295163217 /nfs/dbraw/zinc/16/32/17/295163217.db2.gz FRHCIRZCEICVIY-DOMZBBRYSA-N 2 2 315.417 3.201 20 0 DGADLP C/C(Cl)=C/C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000528347035 295201799 /nfs/dbraw/zinc/20/17/99/295201799.db2.gz BEZWSCUHRFUUTH-ACAGNQJTSA-N 2 2 308.857 3.173 20 0 DGADLP Cc1ccc(CN(CCCc2ccc(C)[nH+]c2)CC[NH+](C)C)o1 ZINC000349022816 434580815 /nfs/dbraw/zinc/58/08/15/434580815.db2.gz DWGQVDQFSSJBFA-UHFFFAOYSA-N 2 2 315.461 3.288 20 0 DGADLP Cc1ccc2sc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)nc2c1 ZINC000528386495 295206021 /nfs/dbraw/zinc/20/60/21/295206021.db2.gz JEWQRJDXEVGUKT-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP Cc1ccc2sc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)nc2c1 ZINC000528386495 295206023 /nfs/dbraw/zinc/20/60/23/295206023.db2.gz JEWQRJDXEVGUKT-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP Cc1ccc2sc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)nc2c1 ZINC000528386495 295206024 /nfs/dbraw/zinc/20/60/24/295206024.db2.gz JEWQRJDXEVGUKT-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP Cc1ccc2sc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)nc2c1 ZINC000528386495 295206026 /nfs/dbraw/zinc/20/60/26/295206026.db2.gz JEWQRJDXEVGUKT-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP Cc1ccc2sc(C[N@H+](C)CCCn3cc[nH+]c3)nc2c1 ZINC000528430055 295213303 /nfs/dbraw/zinc/21/33/03/295213303.db2.gz TUGXCFDGTKMOMA-UHFFFAOYSA-N 2 2 300.431 3.323 20 0 DGADLP Cc1ccc2sc(C[N@@H+](C)CCCn3cc[nH+]c3)nc2c1 ZINC000528430055 295213305 /nfs/dbraw/zinc/21/33/05/295213305.db2.gz TUGXCFDGTKMOMA-UHFFFAOYSA-N 2 2 300.431 3.323 20 0 DGADLP COc1cccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1OC ZINC000303984414 295295186 /nfs/dbraw/zinc/29/51/86/295295186.db2.gz DIZMFUGMALYOSV-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP COc1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1OC ZINC000303984414 295295187 /nfs/dbraw/zinc/29/51/87/295295187.db2.gz DIZMFUGMALYOSV-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025696 434585903 /nfs/dbraw/zinc/58/59/03/434585903.db2.gz IBEOJGCOGIONMQ-MRXNPFEDSA-N 2 2 320.339 3.336 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025696 434585911 /nfs/dbraw/zinc/58/59/11/434585911.db2.gz IBEOJGCOGIONMQ-MRXNPFEDSA-N 2 2 320.339 3.336 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000459480491 434587085 /nfs/dbraw/zinc/58/70/85/434587085.db2.gz ODLICWREUOJOQE-QZTJIDSGSA-N 2 2 313.445 3.141 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000459480491 434587093 /nfs/dbraw/zinc/58/70/93/434587093.db2.gz ODLICWREUOJOQE-QZTJIDSGSA-N 2 2 313.445 3.141 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1OC ZINC000354124371 434631339 /nfs/dbraw/zinc/63/13/39/434631339.db2.gz KDINPILGPKHCSX-CABCVRRESA-N 2 2 308.466 3.126 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1OC ZINC000354124371 434631342 /nfs/dbraw/zinc/63/13/42/434631342.db2.gz KDINPILGPKHCSX-CABCVRRESA-N 2 2 308.466 3.126 20 0 DGADLP CC(C)[C@H](CNCc1c[nH+]cn1C(C)C)[NH+]1CCCCCC1 ZINC000424134879 434633037 /nfs/dbraw/zinc/63/30/37/434633037.db2.gz OGFGYUNDSFSSNP-SFHVURJKSA-N 2 2 306.498 3.454 20 0 DGADLP COc1cc[nH+]cc1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424156225 434639155 /nfs/dbraw/zinc/63/91/55/434639155.db2.gz OEGNQBIYPWSYAM-AWEZNQCLSA-N 2 2 305.422 3.107 20 0 DGADLP CCC[N@H+](CC(C)C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409448019 434602881 /nfs/dbraw/zinc/60/28/81/434602881.db2.gz GMKLOJAWVXUIIR-KRWDZBQOSA-N 2 2 317.477 3.382 20 0 DGADLP CCC[N@@H+](CC(C)C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409448019 434602888 /nfs/dbraw/zinc/60/28/88/434602888.db2.gz GMKLOJAWVXUIIR-KRWDZBQOSA-N 2 2 317.477 3.382 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000459558444 434608066 /nfs/dbraw/zinc/60/80/66/434608066.db2.gz NOGZYRGOYIUGNO-SFHVURJKSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000459558444 434608073 /nfs/dbraw/zinc/60/80/73/434608073.db2.gz NOGZYRGOYIUGNO-SFHVURJKSA-N 2 2 313.445 3.375 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccn(C)n1 ZINC000459747218 434694186 /nfs/dbraw/zinc/69/41/86/434694186.db2.gz JEJOMTJMIDYODB-RLFYNMQTSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c[nH+]1 ZINC000354160813 434648198 /nfs/dbraw/zinc/64/81/98/434648198.db2.gz ZDPOZLWQHQOTFZ-QFBILLFUSA-N 3 2 303.494 3.423 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166440 434648311 /nfs/dbraw/zinc/64/83/11/434648311.db2.gz LCROEYAPHIZXLW-KBXCAEBGSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166440 434648317 /nfs/dbraw/zinc/64/83/17/434648317.db2.gz LCROEYAPHIZXLW-KBXCAEBGSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)sc2C1 ZINC000354166440 434648325 /nfs/dbraw/zinc/64/83/25/434648325.db2.gz LCROEYAPHIZXLW-KBXCAEBGSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)sc2C1 ZINC000354166440 434648331 /nfs/dbraw/zinc/64/83/31/434648331.db2.gz LCROEYAPHIZXLW-KBXCAEBGSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664067 434652991 /nfs/dbraw/zinc/65/29/91/434652991.db2.gz HVTYMPIMFUOWLU-QTDMDRALSA-N 2 2 308.828 3.407 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664067 434652998 /nfs/dbraw/zinc/65/29/98/434652998.db2.gz HVTYMPIMFUOWLU-QTDMDRALSA-N 2 2 308.828 3.407 20 0 DGADLP c1csc([C@@H](Cc2ccncc2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000424267773 434668157 /nfs/dbraw/zinc/66/81/57/434668157.db2.gz YTILYFOLHBUURR-MRXNPFEDSA-N 2 2 312.442 3.303 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000440060883 434675712 /nfs/dbraw/zinc/67/57/12/434675712.db2.gz HYJOWUMYZFHPJG-CKGODYTQSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000440060883 434675714 /nfs/dbraw/zinc/67/57/14/434675714.db2.gz HYJOWUMYZFHPJG-CKGODYTQSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060883 434675720 /nfs/dbraw/zinc/67/57/20/434675720.db2.gz HYJOWUMYZFHPJG-CKGODYTQSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060883 434675723 /nfs/dbraw/zinc/67/57/23/434675723.db2.gz HYJOWUMYZFHPJG-CKGODYTQSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285338 434677371 /nfs/dbraw/zinc/67/73/71/434677371.db2.gz DKUJTUQAVWUCHK-UHMOLFJZSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285338 434677378 /nfs/dbraw/zinc/67/73/78/434677378.db2.gz DKUJTUQAVWUCHK-UHMOLFJZSA-N 2 2 313.489 3.318 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224719 434677912 /nfs/dbraw/zinc/67/79/12/434677912.db2.gz OWDVPRGCKQPMTA-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224719 434677918 /nfs/dbraw/zinc/67/79/18/434677918.db2.gz OWDVPRGCKQPMTA-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224719 434677925 /nfs/dbraw/zinc/67/79/25/434677925.db2.gz OWDVPRGCKQPMTA-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224719 434677929 /nfs/dbraw/zinc/67/79/29/434677929.db2.gz OWDVPRGCKQPMTA-RDJZCZTQSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000354244080 434685659 /nfs/dbraw/zinc/68/56/59/434685659.db2.gz NDDTZZDNABNLJE-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000354244080 434685664 /nfs/dbraw/zinc/68/56/64/434685664.db2.gz NDDTZZDNABNLJE-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2cn[nH]c2C)CC1)CC(C)C ZINC000349405480 434704631 /nfs/dbraw/zinc/70/46/31/434704631.db2.gz JHPGOBYLOQMNCU-UHFFFAOYSA-N 2 2 306.498 3.298 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2cn[nH]c2C)CC1)CC(C)C ZINC000349405480 434704637 /nfs/dbraw/zinc/70/46/37/434704637.db2.gz JHPGOBYLOQMNCU-UHFFFAOYSA-N 2 2 306.498 3.298 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000349408330 434705599 /nfs/dbraw/zinc/70/55/99/434705599.db2.gz PHZJXBDAIIRSSJ-UHFFFAOYSA-N 2 2 320.868 3.299 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000349408330 434705601 /nfs/dbraw/zinc/70/56/01/434705601.db2.gz PHZJXBDAIIRSSJ-UHFFFAOYSA-N 2 2 320.868 3.299 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000349416743 434710027 /nfs/dbraw/zinc/71/00/27/434710027.db2.gz LNNDMGPNSGKDTD-HNNXBMFYSA-N 2 2 320.477 3.182 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000349416743 434710032 /nfs/dbraw/zinc/71/00/32/434710032.db2.gz LNNDMGPNSGKDTD-HNNXBMFYSA-N 2 2 320.477 3.182 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2c(C)cccn12 ZINC000349416691 434710054 /nfs/dbraw/zinc/71/00/54/434710054.db2.gz KZIKAOWENDFSLT-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2c(C)cccn12 ZINC000349416691 434710057 /nfs/dbraw/zinc/71/00/57/434710057.db2.gz KZIKAOWENDFSLT-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CCN(CCC[NH+](CC)CC)Cc1c[nH+]c2c(C)cccn12 ZINC000349416691 434710065 /nfs/dbraw/zinc/71/00/65/434710065.db2.gz KZIKAOWENDFSLT-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000354335263 434726930 /nfs/dbraw/zinc/72/69/30/434726930.db2.gz RCXYQRSPQYDEIC-NEWSRXKRSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000354335263 434726938 /nfs/dbraw/zinc/72/69/38/434726938.db2.gz RCXYQRSPQYDEIC-NEWSRXKRSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000354335264 434727382 /nfs/dbraw/zinc/72/73/82/434727382.db2.gz RCXYQRSPQYDEIC-NZSAHSFTSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000354335264 434727384 /nfs/dbraw/zinc/72/73/84/434727384.db2.gz RCXYQRSPQYDEIC-NZSAHSFTSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3c(O)cccc31)CCC2 ZINC000360984843 434755288 /nfs/dbraw/zinc/75/52/88/434755288.db2.gz FPSYZPKDLSMHOQ-PBHICJAKSA-N 2 2 311.429 3.442 20 0 DGADLP CC(C)c1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)no1 ZINC000361057891 434780265 /nfs/dbraw/zinc/78/02/65/434780265.db2.gz ABWZCVBDFFLWHG-UHFFFAOYSA-N 2 2 317.437 3.082 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cncs1 ZINC000411402743 434773040 /nfs/dbraw/zinc/77/30/40/434773040.db2.gz QYBGTKQWIIVPSE-UHFFFAOYSA-N 2 2 303.475 3.186 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cncs1 ZINC000411402743 434773043 /nfs/dbraw/zinc/77/30/43/434773043.db2.gz QYBGTKQWIIVPSE-UHFFFAOYSA-N 2 2 303.475 3.186 20 0 DGADLP CC(C)n1ccnc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361042929 434776192 /nfs/dbraw/zinc/77/61/92/434776192.db2.gz CBVXVPAQHSSFSM-UHFFFAOYSA-N 2 2 315.465 3.353 20 0 DGADLP c1cn(CCCC2CC[NH+](CCOc3ccccc3)CC2)c[nH+]1 ZINC000361047102 434778991 /nfs/dbraw/zinc/77/89/91/434778991.db2.gz VZFZZVWQXRIRLI-UHFFFAOYSA-N 2 2 313.445 3.454 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424089 434779107 /nfs/dbraw/zinc/77/91/07/434779107.db2.gz KPQHMYMQZZUDRG-FHLIZLRMSA-N 2 2 313.420 3.370 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424089 434779111 /nfs/dbraw/zinc/77/91/11/434779111.db2.gz KPQHMYMQZZUDRG-FHLIZLRMSA-N 2 2 313.420 3.370 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)Cc1cnccn1)c1ccccc1 ZINC000453058168 434787192 /nfs/dbraw/zinc/78/71/92/434787192.db2.gz NXPRLPBIOAYRRH-QFBILLFUSA-N 2 2 312.461 3.080 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422765653 297357490 /nfs/dbraw/zinc/35/74/90/297357490.db2.gz QNKBWVFIVFGQHU-ZWJWXYIHSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422765653 297357491 /nfs/dbraw/zinc/35/74/91/297357491.db2.gz QNKBWVFIVFGQHU-ZWJWXYIHSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1=O ZINC000411559269 434801789 /nfs/dbraw/zinc/80/17/89/434801789.db2.gz NESIPQQOPHCRCZ-INIZCTEOSA-N 2 2 300.446 3.083 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1=O ZINC000411559269 434801795 /nfs/dbraw/zinc/80/17/95/434801795.db2.gz NESIPQQOPHCRCZ-INIZCTEOSA-N 2 2 300.446 3.083 20 0 DGADLP c1cc(CCC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc2c1OCC2 ZINC000361125770 434803573 /nfs/dbraw/zinc/80/35/73/434803573.db2.gz KLSPMAOQGGORQS-IBGZPJMESA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc2c1OCC2 ZINC000361125770 434803578 /nfs/dbraw/zinc/80/35/78/434803578.db2.gz KLSPMAOQGGORQS-IBGZPJMESA-N 2 2 314.473 3.161 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccncn2)cc1 ZINC000453125646 434809577 /nfs/dbraw/zinc/80/95/77/434809577.db2.gz JPOKWQYUURQDKM-KBPBESRZSA-N 2 2 307.401 3.383 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)nc1 ZINC000372257541 434818522 /nfs/dbraw/zinc/81/85/22/434818522.db2.gz CNORCEQRGOTRNW-GFCCVEGCSA-N 2 2 313.792 3.167 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201253 434827414 /nfs/dbraw/zinc/82/74/14/434827414.db2.gz WOTVZZFNQMEOOH-HRCADAONSA-N 2 2 304.482 3.207 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201253 434827418 /nfs/dbraw/zinc/82/74/18/434827418.db2.gz WOTVZZFNQMEOOH-HRCADAONSA-N 2 2 304.482 3.207 20 0 DGADLP CC[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCOC1 ZINC000453241082 434838728 /nfs/dbraw/zinc/83/87/28/434838728.db2.gz VFFKUHTWQVAXIL-CJNGLKHVSA-N 2 2 319.836 3.430 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)CCC2 ZINC000361239334 434839221 /nfs/dbraw/zinc/83/92/21/434839221.db2.gz YODDCEZXTDZRJT-HRCADAONSA-N 2 2 305.466 3.251 20 0 DGADLP COC[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000453242423 434839248 /nfs/dbraw/zinc/83/92/48/434839248.db2.gz XOQGJYNFULPWAD-OAHLLOKOSA-N 2 2 305.809 3.040 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250447 434841028 /nfs/dbraw/zinc/84/10/28/434841028.db2.gz AGQRDZXRRAGIEQ-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250447 434841030 /nfs/dbraw/zinc/84/10/30/434841030.db2.gz AGQRDZXRRAGIEQ-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453264140 434844705 /nfs/dbraw/zinc/84/47/05/434844705.db2.gz UXAYLOCYFLCJIA-LPHOPBHVSA-N 2 2 304.478 3.137 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453264140 434844708 /nfs/dbraw/zinc/84/47/08/434844708.db2.gz UXAYLOCYFLCJIA-LPHOPBHVSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453263391 434845066 /nfs/dbraw/zinc/84/50/66/434845066.db2.gz TYVIENUBUAXLTI-RTBURBONSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453263391 434845068 /nfs/dbraw/zinc/84/50/68/434845068.db2.gz TYVIENUBUAXLTI-RTBURBONSA-N 2 2 304.478 3.137 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268039 434845533 /nfs/dbraw/zinc/84/55/33/434845533.db2.gz PSVMZJFWFZGPDQ-ROUUACIJSA-N 2 2 324.896 3.474 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268039 434845535 /nfs/dbraw/zinc/84/55/35/434845535.db2.gz PSVMZJFWFZGPDQ-ROUUACIJSA-N 2 2 324.896 3.474 20 0 DGADLP Fc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1F ZINC000553227096 434882835 /nfs/dbraw/zinc/88/28/35/434882835.db2.gz RZGMREWKXYXMLE-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP CC[NH2+]Cc1cccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000637809143 434885388 /nfs/dbraw/zinc/88/53/88/434885388.db2.gz QQAZVWNRUASGLK-QGZVFWFLSA-N 2 2 314.433 3.219 20 0 DGADLP CCC(CC)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000461796358 434888460 /nfs/dbraw/zinc/88/84/60/434888460.db2.gz HQTCXPVTDXXBGR-UHFFFAOYSA-N 2 2 317.521 3.363 20 0 DGADLP Cc1cccc(CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000573320078 434890495 /nfs/dbraw/zinc/89/04/95/434890495.db2.gz JAGOJCGBDAVKDP-UHFFFAOYSA-N 2 2 311.429 3.179 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000573410219 434897670 /nfs/dbraw/zinc/89/76/70/434897670.db2.gz TXXWUDLEBUBGPZ-MAUKXSAKSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000573410219 434897676 /nfs/dbraw/zinc/89/76/76/434897676.db2.gz TXXWUDLEBUBGPZ-MAUKXSAKSA-N 2 2 302.462 3.233 20 0 DGADLP COc1cc2c(cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)O[C@@H](C)C2 ZINC000573437270 434899502 /nfs/dbraw/zinc/89/95/02/434899502.db2.gz ZDOBQEOPERZGFV-JBBXEZCESA-N 2 2 324.424 3.253 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119451 434870354 /nfs/dbraw/zinc/87/03/54/434870354.db2.gz FLSHFQHQAUSSGA-VQTJNVASSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119451 434870357 /nfs/dbraw/zinc/87/03/57/434870357.db2.gz FLSHFQHQAUSSGA-VQTJNVASSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000521119451 434870362 /nfs/dbraw/zinc/87/03/62/434870362.db2.gz FLSHFQHQAUSSGA-VQTJNVASSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119451 434870366 /nfs/dbraw/zinc/87/03/66/434870366.db2.gz FLSHFQHQAUSSGA-VQTJNVASSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119449 434871008 /nfs/dbraw/zinc/87/10/08/434871008.db2.gz FLSHFQHQAUSSGA-PMACEKPBSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119449 434871013 /nfs/dbraw/zinc/87/10/13/434871013.db2.gz FLSHFQHQAUSSGA-PMACEKPBSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000521119449 434871015 /nfs/dbraw/zinc/87/10/15/434871015.db2.gz FLSHFQHQAUSSGA-PMACEKPBSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119449 434871019 /nfs/dbraw/zinc/87/10/19/434871019.db2.gz FLSHFQHQAUSSGA-PMACEKPBSA-N 2 2 316.489 3.402 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)c3ccccc3C[NH+](C)C)ccc2n1C ZINC000573057851 434871463 /nfs/dbraw/zinc/87/14/63/434871463.db2.gz OFPFXSFFURSRRP-UHFFFAOYSA-N 2 2 322.412 3.196 20 0 DGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000573931042 434937105 /nfs/dbraw/zinc/93/71/05/434937105.db2.gz JEYAZFOJDAELPF-GFCCVEGCSA-N 2 2 305.372 3.250 20 0 DGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000573931042 434937109 /nfs/dbraw/zinc/93/71/09/434937109.db2.gz JEYAZFOJDAELPF-GFCCVEGCSA-N 2 2 305.372 3.250 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907175 434937348 /nfs/dbraw/zinc/93/73/48/434937348.db2.gz QNNBEJLXPRXJOH-FFZOFVMBSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907175 434937351 /nfs/dbraw/zinc/93/73/51/434937351.db2.gz QNNBEJLXPRXJOH-FFZOFVMBSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@H+](C)CCO)CC2)c(C)c1 ZINC000638047033 434941035 /nfs/dbraw/zinc/94/10/35/434941035.db2.gz KZAYSWNOGCOPAX-AATRIKPKSA-N 2 2 316.489 3.014 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@@H+](C)CCO)CC2)c(C)c1 ZINC000638047033 434941039 /nfs/dbraw/zinc/94/10/39/434941039.db2.gz KZAYSWNOGCOPAX-AATRIKPKSA-N 2 2 316.489 3.014 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3oc(C[NH3+])cc3C)c2C1 ZINC000638089803 434948730 /nfs/dbraw/zinc/94/87/30/434948730.db2.gz SQMFHMAJYBIUST-UHFFFAOYSA-N 2 2 313.401 3.025 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)c3oc(C[NH3+])cc3C)c2C1 ZINC000638089803 434948737 /nfs/dbraw/zinc/94/87/37/434948737.db2.gz SQMFHMAJYBIUST-UHFFFAOYSA-N 2 2 313.401 3.025 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081116 434948879 /nfs/dbraw/zinc/94/88/79/434948879.db2.gz HLHVHXLQVWEABH-RISCZKNCSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081116 434948883 /nfs/dbraw/zinc/94/88/83/434948883.db2.gz HLHVHXLQVWEABH-RISCZKNCSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081116 434948887 /nfs/dbraw/zinc/94/88/87/434948887.db2.gz HLHVHXLQVWEABH-RISCZKNCSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081116 434948891 /nfs/dbraw/zinc/94/88/91/434948891.db2.gz HLHVHXLQVWEABH-RISCZKNCSA-N 2 2 307.438 3.207 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000554862849 434950363 /nfs/dbraw/zinc/95/03/63/434950363.db2.gz LLKPNKSGKWTMBT-SFHVURJKSA-N 2 2 323.440 3.112 20 0 DGADLP CCOc1cc(C[N@H+](C)CCC[NH+](C)C)cc(Cl)c1OC ZINC000554874160 434951458 /nfs/dbraw/zinc/95/14/58/434951458.db2.gz DMHJAYCAXDEMDE-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP CCOc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(Cl)c1OC ZINC000554874160 434951461 /nfs/dbraw/zinc/95/14/61/434951461.db2.gz DMHJAYCAXDEMDE-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP CC[N@H+](CCC[C@H]1CCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638104019 434952365 /nfs/dbraw/zinc/95/23/65/434952365.db2.gz FHYYPQJTVKEBBB-SFHVURJKSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+](CCC[C@H]1CCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638104019 434952369 /nfs/dbraw/zinc/95/23/69/434952369.db2.gz FHYYPQJTVKEBBB-SFHVURJKSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110261 434954191 /nfs/dbraw/zinc/95/41/91/434954191.db2.gz KFUPCBZUWNDRRI-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110261 434954195 /nfs/dbraw/zinc/95/41/95/434954195.db2.gz KFUPCBZUWNDRRI-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110261 434954197 /nfs/dbraw/zinc/95/41/97/434954197.db2.gz KFUPCBZUWNDRRI-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110261 434954201 /nfs/dbraw/zinc/95/42/01/434954201.db2.gz KFUPCBZUWNDRRI-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc3ccccc3n2C)C[C@@H]1n1cc[nH+]c1 ZINC000638171953 434971099 /nfs/dbraw/zinc/97/10/99/434971099.db2.gz MRDVSMHYUZUAFH-KXBFYZLASA-N 2 2 308.429 3.458 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C[C@@H]1n1cc[nH+]c1 ZINC000638171953 434971101 /nfs/dbraw/zinc/97/11/01/434971101.db2.gz MRDVSMHYUZUAFH-KXBFYZLASA-N 2 2 308.429 3.458 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000462832067 434934181 /nfs/dbraw/zinc/93/41/81/434934181.db2.gz GSJDTODVZQDTFV-FFZOFVMBSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000462832067 434934185 /nfs/dbraw/zinc/93/41/85/434934185.db2.gz GSJDTODVZQDTFV-FFZOFVMBSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC1CC(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000638384265 435019346 /nfs/dbraw/zinc/01/93/46/435019346.db2.gz CDJIEDHMYDCSBS-UHFFFAOYSA-N 2 2 320.452 3.195 20 0 DGADLP CC1=CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556816639 435026900 /nfs/dbraw/zinc/02/69/00/435026900.db2.gz GBCKOZIIBMAQHB-LJQANCHMSA-N 2 2 313.489 3.287 20 0 DGADLP CCOC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000555609361 434981327 /nfs/dbraw/zinc/98/13/27/434981327.db2.gz RRHUWJPVAIMRJU-UHFFFAOYSA-N 2 2 322.415 3.342 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000574629870 434991877 /nfs/dbraw/zinc/99/18/77/434991877.db2.gz AHMQNMUHCSCQDO-MJGOQNOKSA-N 3 2 303.494 3.017 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000574629870 434991878 /nfs/dbraw/zinc/99/18/78/434991878.db2.gz AHMQNMUHCSCQDO-MJGOQNOKSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@H](C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1 ZINC000574634241 434993177 /nfs/dbraw/zinc/99/31/77/434993177.db2.gz QYGWNCQDCRBDRB-QGZVFWFLSA-N 2 2 308.469 3.479 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000638287442 434998425 /nfs/dbraw/zinc/99/84/25/434998425.db2.gz UEDOKYAJSSTFBW-NKELODKYSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000574703156 434998806 /nfs/dbraw/zinc/99/88/06/434998806.db2.gz AOKORYFBCMTFKZ-KBXCAEBGSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000574703156 434998808 /nfs/dbraw/zinc/99/88/08/434998808.db2.gz AOKORYFBCMTFKZ-KBXCAEBGSA-N 2 2 312.461 3.027 20 0 DGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000464873814 435008438 /nfs/dbraw/zinc/00/84/38/435008438.db2.gz HYDBQCXVCJXLLF-FGTMMUONSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000464873814 435008441 /nfs/dbraw/zinc/00/84/41/435008441.db2.gz HYDBQCXVCJXLLF-FGTMMUONSA-N 2 2 308.510 3.388 20 0 DGADLP CO[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC(C)C ZINC000638344290 435008658 /nfs/dbraw/zinc/00/86/58/435008658.db2.gz TUILHNIHIMIXRB-GOSISDBHSA-N 2 2 301.434 3.082 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000578202490 435066843 /nfs/dbraw/zinc/06/68/43/435066843.db2.gz RDLWLEIZVIFZDL-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000578202490 435066845 /nfs/dbraw/zinc/06/68/45/435066845.db2.gz RDLWLEIZVIFZDL-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000638676698 435067303 /nfs/dbraw/zinc/06/73/03/435067303.db2.gz PZFDVKYDSRNRAH-APWZRJJASA-N 2 2 310.445 3.176 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000638676698 435067306 /nfs/dbraw/zinc/06/73/06/435067306.db2.gz PZFDVKYDSRNRAH-APWZRJJASA-N 2 2 310.445 3.176 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677201 435069263 /nfs/dbraw/zinc/06/92/63/435069263.db2.gz AQXPLWCDKHSRTD-CVAIRZPRSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677201 435069264 /nfs/dbraw/zinc/06/92/64/435069264.db2.gz AQXPLWCDKHSRTD-CVAIRZPRSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677203 435069825 /nfs/dbraw/zinc/06/98/25/435069825.db2.gz AQXPLWCDKHSRTD-QSFXBCCZSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677203 435069826 /nfs/dbraw/zinc/06/98/26/435069826.db2.gz AQXPLWCDKHSRTD-QSFXBCCZSA-N 2 2 324.472 3.439 20 0 DGADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000638778427 435087718 /nfs/dbraw/zinc/08/77/18/435087718.db2.gz FLBHXOCOUZLBJN-RBUKOAKNSA-N 2 2 313.445 3.256 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC1(F)F ZINC000638777884 435087970 /nfs/dbraw/zinc/08/79/70/435087970.db2.gz MJTGOKBEHVSLII-DOMZBBRYSA-N 2 2 324.419 3.068 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638788467 435089297 /nfs/dbraw/zinc/08/92/97/435089297.db2.gz KLRXEGHCEUBFAQ-JKIFEVAISA-N 2 2 305.491 3.091 20 0 DGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000492768169 435046590 /nfs/dbraw/zinc/04/65/90/435046590.db2.gz OPXMOMYVHKNWRW-SREVYHEPSA-N 2 2 324.428 3.423 20 0 DGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000492768169 435046595 /nfs/dbraw/zinc/04/65/95/435046595.db2.gz OPXMOMYVHKNWRW-SREVYHEPSA-N 2 2 324.428 3.423 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424217 435090170 /nfs/dbraw/zinc/09/01/70/435090170.db2.gz YACBMOPDKILNAA-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424217 435090176 /nfs/dbraw/zinc/09/01/76/435090176.db2.gz YACBMOPDKILNAA-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424217 435090179 /nfs/dbraw/zinc/09/01/79/435090179.db2.gz YACBMOPDKILNAA-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424217 435090182 /nfs/dbraw/zinc/09/01/82/435090182.db2.gz YACBMOPDKILNAA-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638548926 435049378 /nfs/dbraw/zinc/04/93/78/435049378.db2.gz LVWODRVJLVUHHH-ROUUACIJSA-N 2 2 303.494 3.079 20 0 DGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638548923 435049729 /nfs/dbraw/zinc/04/97/29/435049729.db2.gz LVWODRVJLVUHHH-MSOLQXFVSA-N 2 2 303.494 3.079 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000492811670 435053963 /nfs/dbraw/zinc/05/39/63/435053963.db2.gz LAFRRWHMWYRSEQ-WHLNPGIBSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000492811670 435053969 /nfs/dbraw/zinc/05/39/69/435053969.db2.gz LAFRRWHMWYRSEQ-WHLNPGIBSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@@]1(C[NH2+]C2CC(n3cccn3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000639072312 435146195 /nfs/dbraw/zinc/14/61/95/435146195.db2.gz VULMMFICLADPLT-MHJFOBGBSA-N 2 2 324.472 3.231 20 0 DGADLP C[C@@]1(C[NH2+]C2CC(n3cccn3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000639072312 435146199 /nfs/dbraw/zinc/14/61/99/435146199.db2.gz VULMMFICLADPLT-MHJFOBGBSA-N 2 2 324.472 3.231 20 0 DGADLP CC1CC[NH+](Cc2ccc(NC(=O)/C=C\c3[nH]cc[nH+]3)cc2)CC1 ZINC000493321722 435148159 /nfs/dbraw/zinc/14/81/59/435148159.db2.gz NTYREQFEGNOEMS-SREVYHEPSA-N 2 2 324.428 3.294 20 0 DGADLP Cc1c(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cnn1C ZINC000638824000 435095809 /nfs/dbraw/zinc/09/58/09/435095809.db2.gz BZVMDJCTBINSHH-QUCCMNQESA-N 2 2 324.472 3.186 20 0 DGADLP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cnn1C ZINC000638824000 435095812 /nfs/dbraw/zinc/09/58/12/435095812.db2.gz BZVMDJCTBINSHH-QUCCMNQESA-N 2 2 324.472 3.186 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000467378971 435119564 /nfs/dbraw/zinc/11/95/64/435119564.db2.gz VHYFLLYFCAVZEU-AWEZNQCLSA-N 2 2 312.379 3.488 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000467378971 435119567 /nfs/dbraw/zinc/11/95/67/435119567.db2.gz VHYFLLYFCAVZEU-AWEZNQCLSA-N 2 2 312.379 3.488 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312619 435127580 /nfs/dbraw/zinc/12/75/80/435127580.db2.gz YQKNQEHVWMTBIV-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312619 435127584 /nfs/dbraw/zinc/12/75/84/435127584.db2.gz YQKNQEHVWMTBIV-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312619 435127586 /nfs/dbraw/zinc/12/75/86/435127586.db2.gz YQKNQEHVWMTBIV-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312619 435127588 /nfs/dbraw/zinc/12/75/88/435127588.db2.gz YQKNQEHVWMTBIV-HXUWFJFHSA-N 2 2 322.456 3.061 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000469866020 435133012 /nfs/dbraw/zinc/13/30/12/435133012.db2.gz LOULBSGFZVXLDD-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000469866020 435133016 /nfs/dbraw/zinc/13/30/16/435133016.db2.gz LOULBSGFZVXLDD-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052838 435137232 /nfs/dbraw/zinc/13/72/32/435137232.db2.gz ZQKGNRVSTZOYOY-KBXCAEBGSA-N 2 2 313.420 3.018 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052838 435137235 /nfs/dbraw/zinc/13/72/35/435137235.db2.gz ZQKGNRVSTZOYOY-KBXCAEBGSA-N 2 2 313.420 3.018 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471612006 435137957 /nfs/dbraw/zinc/13/79/57/435137957.db2.gz RSUPDLNLYRVGTI-GPMSIDNRSA-N 2 2 304.478 3.473 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCO[C@@H]2C)[NH+](CC)CC)cc1 ZINC000559872896 435140064 /nfs/dbraw/zinc/14/00/64/435140064.db2.gz YKBGXCWHUOINKN-LZQZEXGQSA-N 2 2 304.478 3.399 20 0 DGADLP CC(C)c1[nH+]c(CNCc2cn3ccccc3[nH+]2)c2ccccn21 ZINC000559930623 435143056 /nfs/dbraw/zinc/14/30/56/435143056.db2.gz XXGPKDHOPFEWQG-UHFFFAOYSA-N 2 2 319.412 3.395 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000474043675 435143615 /nfs/dbraw/zinc/14/36/15/435143615.db2.gz ZONXYEWTQQFSRR-KKXDTOCCSA-N 2 2 302.462 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000474043675 435143618 /nfs/dbraw/zinc/14/36/18/435143618.db2.gz ZONXYEWTQQFSRR-KKXDTOCCSA-N 2 2 302.462 3.490 20 0 DGADLP COc1cc(Cl)c(C[N@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000639175522 435184135 /nfs/dbraw/zinc/18/41/35/435184135.db2.gz PTUXJKPHSNKZBS-UHFFFAOYSA-N 2 2 323.824 3.076 20 0 DGADLP COc1cc(Cl)c(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000639175522 435184136 /nfs/dbraw/zinc/18/41/36/435184136.db2.gz PTUXJKPHSNKZBS-UHFFFAOYSA-N 2 2 323.824 3.076 20 0 DGADLP Nc1c(F)cccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000639175935 435184454 /nfs/dbraw/zinc/18/44/54/435184454.db2.gz RQAVUDNJDUTXBQ-UHFFFAOYSA-N 2 2 316.424 3.297 20 0 DGADLP C[NH+]1CCC([N@H+](CCC[C@H]2CCO2)Cc2ccccc2)CC1 ZINC000639179579 435186839 /nfs/dbraw/zinc/18/68/39/435186839.db2.gz UGXADNIATLYKHQ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[NH+]1CCC([N@@H+](CCC[C@H]2CCO2)Cc2ccccc2)CC1 ZINC000639179579 435186844 /nfs/dbraw/zinc/18/68/44/435186844.db2.gz UGXADNIATLYKHQ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179051 435186873 /nfs/dbraw/zinc/18/68/73/435186873.db2.gz RFHYZFKKNPRNLW-BLLLJJGKSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179051 435186875 /nfs/dbraw/zinc/18/68/75/435186875.db2.gz RFHYZFKKNPRNLW-BLLLJJGKSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179051 435186876 /nfs/dbraw/zinc/18/68/76/435186876.db2.gz RFHYZFKKNPRNLW-BLLLJJGKSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179051 435186879 /nfs/dbraw/zinc/18/68/79/435186879.db2.gz RFHYZFKKNPRNLW-BLLLJJGKSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179052 435187728 /nfs/dbraw/zinc/18/77/28/435187728.db2.gz RFHYZFKKNPRNLW-LRDDRELGSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179052 435187733 /nfs/dbraw/zinc/18/77/33/435187733.db2.gz RFHYZFKKNPRNLW-LRDDRELGSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179052 435187736 /nfs/dbraw/zinc/18/77/36/435187736.db2.gz RFHYZFKKNPRNLW-LRDDRELGSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179052 435187742 /nfs/dbraw/zinc/18/77/42/435187742.db2.gz RFHYZFKKNPRNLW-LRDDRELGSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600710 435189255 /nfs/dbraw/zinc/18/92/55/435189255.db2.gz DHXMRBKRJYEEPP-LFUGVXIPSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600710 435189258 /nfs/dbraw/zinc/18/92/58/435189258.db2.gz DHXMRBKRJYEEPP-LFUGVXIPSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000493692294 435189780 /nfs/dbraw/zinc/18/97/80/435189780.db2.gz VBNRSVXRJFVOMJ-OSRDXIQISA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000493692294 435189784 /nfs/dbraw/zinc/18/97/84/435189784.db2.gz VBNRSVXRJFVOMJ-OSRDXIQISA-N 2 2 304.400 3.427 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000639188131 435191038 /nfs/dbraw/zinc/19/10/38/435191038.db2.gz QPSIBJIZYYXTSF-RXQRSOPUSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000639188131 435191042 /nfs/dbraw/zinc/19/10/42/435191042.db2.gz QPSIBJIZYYXTSF-RXQRSOPUSA-N 2 2 302.462 3.054 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779159 435192064 /nfs/dbraw/zinc/19/20/64/435192064.db2.gz LOCYOWDNSYXVOS-GXTWGEPZSA-N 2 2 311.857 3.048 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779159 435192068 /nfs/dbraw/zinc/19/20/68/435192068.db2.gz LOCYOWDNSYXVOS-GXTWGEPZSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779159 435192070 /nfs/dbraw/zinc/19/20/70/435192070.db2.gz LOCYOWDNSYXVOS-GXTWGEPZSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779159 435192076 /nfs/dbraw/zinc/19/20/76/435192076.db2.gz LOCYOWDNSYXVOS-GXTWGEPZSA-N 2 2 311.857 3.048 20 0 DGADLP CCCC1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000561224760 435206355 /nfs/dbraw/zinc/20/63/55/435206355.db2.gz DKVLRHCLIBDZAA-UHFFFAOYSA-N 2 2 324.509 3.353 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000532246414 435151031 /nfs/dbraw/zinc/15/10/31/435151031.db2.gz KVFDNPDICLTWIR-MKBNYLNASA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000532246414 435151034 /nfs/dbraw/zinc/15/10/34/435151034.db2.gz KVFDNPDICLTWIR-MKBNYLNASA-N 2 2 308.853 3.482 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CC(n2cccn2)C1)[NH+](C)C ZINC000639092519 435152829 /nfs/dbraw/zinc/15/28/29/435152829.db2.gz VWOYYIJNIOCFCG-JIZBTBOESA-N 2 2 312.461 3.176 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000560244213 435155400 /nfs/dbraw/zinc/15/54/00/435155400.db2.gz AOAAYFAZKFYECZ-NEWSRXKRSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000560244213 435155404 /nfs/dbraw/zinc/15/54/04/435155404.db2.gz AOAAYFAZKFYECZ-NEWSRXKRSA-N 2 2 318.505 3.426 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000474717158 435157489 /nfs/dbraw/zinc/15/74/89/435157489.db2.gz DOFRXULXRWRUKR-UPTPFMHGSA-N 2 2 312.498 3.064 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000560258297 435158031 /nfs/dbraw/zinc/15/80/31/435158031.db2.gz VNJUKBXAKFQRNQ-HUUCEWRRSA-N 2 2 300.368 3.493 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474797625 435160632 /nfs/dbraw/zinc/16/06/32/435160632.db2.gz UBKWCMHYOMBOBZ-LEAZDLGRSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474797625 435160636 /nfs/dbraw/zinc/16/06/36/435160636.db2.gz UBKWCMHYOMBOBZ-LEAZDLGRSA-N 2 2 316.489 3.444 20 0 DGADLP Oc1cccnc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120384 435161443 /nfs/dbraw/zinc/16/14/43/435161443.db2.gz QUUOKONGMIOWBT-VQIMIIECSA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120384 435161448 /nfs/dbraw/zinc/16/14/48/435161448.db2.gz QUUOKONGMIOWBT-VQIMIIECSA-N 2 2 323.440 3.245 20 0 DGADLP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000532448293 435165013 /nfs/dbraw/zinc/16/50/13/435165013.db2.gz QQSLZUSYENVFPS-HESLUPGFSA-N 2 2 322.415 3.075 20 0 DGADLP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000532448293 435165017 /nfs/dbraw/zinc/16/50/17/435165017.db2.gz QQSLZUSYENVFPS-HESLUPGFSA-N 2 2 322.415 3.075 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000532447919 435166355 /nfs/dbraw/zinc/16/63/55/435166355.db2.gz COLJZIQOSOZDTH-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000532447919 435166357 /nfs/dbraw/zinc/16/63/57/435166357.db2.gz COLJZIQOSOZDTH-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700263 435175276 /nfs/dbraw/zinc/17/52/76/435175276.db2.gz XNVGJLAFLPANGZ-RDJZCZTQSA-N 2 2 319.497 3.136 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700263 435175278 /nfs/dbraw/zinc/17/52/78/435175278.db2.gz XNVGJLAFLPANGZ-RDJZCZTQSA-N 2 2 319.497 3.136 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639261479 435217098 /nfs/dbraw/zinc/21/70/98/435217098.db2.gz KTNSILORGDFDQO-YLJYHZDGSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639261479 435217102 /nfs/dbraw/zinc/21/71/02/435217102.db2.gz KTNSILORGDFDQO-YLJYHZDGSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000475682164 435208785 /nfs/dbraw/zinc/20/87/85/435208785.db2.gz OGBJGKQHSVVASS-NZSAHSFTSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000475682164 435208789 /nfs/dbraw/zinc/20/87/89/435208789.db2.gz OGBJGKQHSVVASS-NZSAHSFTSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000580423526 435232334 /nfs/dbraw/zinc/23/23/34/435232334.db2.gz XBOIIHKVOBNESD-OXQOHEQNSA-N 2 2 321.424 3.127 20 0 DGADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1C ZINC000580421318 435232445 /nfs/dbraw/zinc/23/24/45/435232445.db2.gz IHHJANMAFKPZLH-MJGOQNOKSA-N 2 2 312.461 3.103 20 0 DGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000639311218 435237581 /nfs/dbraw/zinc/23/75/81/435237581.db2.gz VOENADWYKMRQST-IEBWSBKVSA-N 2 2 324.472 3.254 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820820 435245471 /nfs/dbraw/zinc/24/54/71/435245471.db2.gz QKFRIONGVLCIJW-RBUKOAKNSA-N 2 2 316.489 3.306 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820820 435245473 /nfs/dbraw/zinc/24/54/73/435245473.db2.gz QKFRIONGVLCIJW-RBUKOAKNSA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820820 435245476 /nfs/dbraw/zinc/24/54/76/435245476.db2.gz QKFRIONGVLCIJW-RBUKOAKNSA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000583820820 435245477 /nfs/dbraw/zinc/24/54/77/435245477.db2.gz QKFRIONGVLCIJW-RBUKOAKNSA-N 2 2 316.489 3.306 20 0 DGADLP C[C@@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC[C@@H]1[NH3+] ZINC000643009805 435260369 /nfs/dbraw/zinc/26/03/69/435260369.db2.gz MIFCKRRTDVIVDX-OLZOCXBDSA-N 2 2 304.482 3.245 20 0 DGADLP Cc1[nH]c(CN[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)[nH+]c1C ZINC000583883263 435252714 /nfs/dbraw/zinc/25/27/14/435252714.db2.gz LMYDAOLCJZHOLP-SFHVURJKSA-N 2 2 314.477 3.273 20 0 DGADLP Cc1[nH]c(CN[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[nH+]c1C ZINC000583883263 435252718 /nfs/dbraw/zinc/25/27/18/435252718.db2.gz LMYDAOLCJZHOLP-SFHVURJKSA-N 2 2 314.477 3.273 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065892 435265140 /nfs/dbraw/zinc/26/51/40/435265140.db2.gz HOBSGZJHDRQDSO-YLJYHZDGSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065892 435265143 /nfs/dbraw/zinc/26/51/43/435265143.db2.gz HOBSGZJHDRQDSO-YLJYHZDGSA-N 2 2 310.441 3.293 20 0 DGADLP COc1cc(F)cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639375638 435271024 /nfs/dbraw/zinc/27/10/24/435271024.db2.gz ZAPSZYJDEWCPMX-UHFFFAOYSA-N 2 2 306.425 3.285 20 0 DGADLP CCCn1cc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)cn1 ZINC000639376600 435273376 /nfs/dbraw/zinc/27/33/76/435273376.db2.gz QORGUCNZKQCSGM-UHFFFAOYSA-N 2 2 304.482 3.134 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000639378529 435274836 /nfs/dbraw/zinc/27/48/36/435274836.db2.gz HCSWAKACAAOPPC-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000639380395 435275624 /nfs/dbraw/zinc/27/56/24/435275624.db2.gz YIOIIBFPRCFUGT-UHFFFAOYSA-N 3 2 312.461 3.179 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2C3CCCC2CCC3)c1 ZINC000643250724 435284806 /nfs/dbraw/zinc/28/48/06/435284806.db2.gz HNFIWMVCKYIXSA-UHFFFAOYSA-N 2 2 314.473 3.426 20 0 DGADLP C[N@H+](Cc1ccsc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643249475 435285262 /nfs/dbraw/zinc/28/52/62/435285262.db2.gz FRBPIMRERXWMPO-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP C[N@@H+](Cc1ccsc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643249475 435285267 /nfs/dbraw/zinc/28/52/67/435285267.db2.gz FRBPIMRERXWMPO-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000648401707 435287803 /nfs/dbraw/zinc/28/78/03/435287803.db2.gz FNHJPYWTUCIHBU-BZUAXINKSA-N 2 2 308.491 3.432 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000648401706 435287952 /nfs/dbraw/zinc/28/79/52/435287952.db2.gz FNHJPYWTUCIHBU-ARFHVFGLSA-N 2 2 308.491 3.432 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000643295487 435293591 /nfs/dbraw/zinc/29/35/91/435293591.db2.gz NZZWLVPRYFIAJW-GOSISDBHSA-N 2 2 316.489 3.324 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000643295487 435293595 /nfs/dbraw/zinc/29/35/95/435293595.db2.gz NZZWLVPRYFIAJW-GOSISDBHSA-N 2 2 316.489 3.324 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320248 435302434 /nfs/dbraw/zinc/30/24/34/435302434.db2.gz RMWOGWXIWOCYNG-UYAOXDASSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320248 435302440 /nfs/dbraw/zinc/30/24/40/435302440.db2.gz RMWOGWXIWOCYNG-UYAOXDASSA-N 2 2 316.489 3.444 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000643030288 435261563 /nfs/dbraw/zinc/26/15/63/435261563.db2.gz KQYAEHIJNCLIQJ-OLZOCXBDSA-N 2 2 320.234 3.679 20 0 DGADLP CCCOc1cccc2c(N3CC[C@H]4CC[NH2+][C@H]4C3)cc[nH+]c12 ZINC000643031679 435262350 /nfs/dbraw/zinc/26/23/50/435262350.db2.gz VFXYAXXOIIRRRK-ZBFHGGJFSA-N 2 2 311.429 3.212 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000511242500 435318383 /nfs/dbraw/zinc/31/83/83/435318383.db2.gz NGRSWVOXHJCNGD-MRXNPFEDSA-N 2 2 324.468 3.012 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000643453631 435327482 /nfs/dbraw/zinc/32/74/82/435327482.db2.gz NGZLGMLTSYZIFI-WMQCIHAUSA-N 2 2 322.452 3.418 20 0 DGADLP CC[C@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000643459723 435330402 /nfs/dbraw/zinc/33/04/02/435330402.db2.gz ALOOWQDKDRKYQU-ROUUACIJSA-N 2 2 311.429 3.494 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000643480689 435334528 /nfs/dbraw/zinc/33/45/28/435334528.db2.gz RLZZFHJMEFPOQH-KYOSRNDESA-N 2 2 310.388 3.299 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)cs1 ZINC000643502889 435338255 /nfs/dbraw/zinc/33/82/55/435338255.db2.gz UOENPPILXMTBAC-ONGXEEELSA-N 2 2 303.269 3.303 20 0 DGADLP Brc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507341 435338407 /nfs/dbraw/zinc/33/84/07/435338407.db2.gz ZZOPMWHBTXILCX-OAHLLOKOSA-N 2 2 309.251 3.242 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588795 435339722 /nfs/dbraw/zinc/33/97/22/435339722.db2.gz HUAAVBPAUUYQDY-IPYPFGDCSA-N 2 2 300.368 3.295 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588795 435339730 /nfs/dbraw/zinc/33/97/30/435339730.db2.gz HUAAVBPAUUYQDY-IPYPFGDCSA-N 2 2 300.368 3.295 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC[NH2+]C2CC2)cnn1-c1cccc(Cl)c1 ZINC000643505950 435339933 /nfs/dbraw/zinc/33/99/33/435339933.db2.gz FPSHDMQREHGVGI-LBPRGKRZSA-N 2 2 318.852 3.237 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000643527435 435344962 /nfs/dbraw/zinc/34/49/62/435344962.db2.gz MXPJWJCERKYLNJ-HZMBPMFUSA-N 2 2 315.255 3.092 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(Br)c1 ZINC000643537194 435345724 /nfs/dbraw/zinc/34/57/24/435345724.db2.gz AOECSHGRPLTRSF-IHRRRGAJSA-N 2 2 315.230 3.190 20 0 DGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537262 435346387 /nfs/dbraw/zinc/34/63/87/435346387.db2.gz CBBDIEQLQNTUHK-CQDKDKBSSA-N 2 2 319.449 3.469 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000643538048 435347463 /nfs/dbraw/zinc/34/74/63/435347463.db2.gz XITSSZYCBKCGCO-RVBZMBCESA-N 2 2 303.208 3.270 20 0 DGADLP Fc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643538721 435348723 /nfs/dbraw/zinc/34/87/23/435348723.db2.gz SUIGQFZLZMQNJJ-JENIJYKNSA-N 2 2 316.395 3.399 20 0 DGADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538268 435349118 /nfs/dbraw/zinc/34/91/18/435349118.db2.gz CVPJQWFBVABGCQ-CQDKDKBSSA-N 2 2 318.358 3.316 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCO[C@@H]1C ZINC000639569114 435349723 /nfs/dbraw/zinc/34/97/23/435349723.db2.gz ROEPRGIKHKFLAU-PVAVHDDUSA-N 2 2 313.445 3.234 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCO[C@@H]1C ZINC000639569114 435349728 /nfs/dbraw/zinc/34/97/28/435349728.db2.gz ROEPRGIKHKFLAU-PVAVHDDUSA-N 2 2 313.445 3.234 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1nc2c(s1)CCCC2 ZINC000643547257 435349980 /nfs/dbraw/zinc/34/99/80/435349980.db2.gz BWFIHMFIXGSTBC-STQMWFEESA-N 2 2 305.491 3.347 20 0 DGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1Cl ZINC000643538769 435350037 /nfs/dbraw/zinc/35/00/37/435350037.db2.gz UUDDLBGIYNCCDW-UBHSHLNASA-N 2 2 314.832 3.478 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C2CCCCC2)n1 ZINC000643548756 435351382 /nfs/dbraw/zinc/35/13/82/435351382.db2.gz URQQZLYHUKBXHI-JKSUJKDBSA-N 2 2 302.466 3.295 20 0 DGADLP c1c[nH]c([C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C2CCCCC2)n1 ZINC000643548754 435351480 /nfs/dbraw/zinc/35/14/80/435351480.db2.gz URQQZLYHUKBXHI-HOTGVXAUSA-N 2 2 302.466 3.295 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000512297210 435353156 /nfs/dbraw/zinc/35/31/56/435353156.db2.gz VZAKGWMJGWXJJI-QWHCGFSZSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000512297210 435353158 /nfs/dbraw/zinc/35/31/58/435353158.db2.gz VZAKGWMJGWXJJI-QWHCGFSZSA-N 2 2 311.267 3.394 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@@H](C(C)(C)C)C3)c[nH+]c12 ZINC000480002232 435360511 /nfs/dbraw/zinc/36/05/11/435360511.db2.gz PQACBDZZTMGPRY-GOEBONIOSA-N 2 2 301.434 3.326 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000512542821 435360555 /nfs/dbraw/zinc/36/05/55/435360555.db2.gz VLWSKZCNFXTFAU-JXAWBTAJSA-N 2 2 314.473 3.478 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000512542821 435360560 /nfs/dbraw/zinc/36/05/60/435360560.db2.gz VLWSKZCNFXTFAU-JXAWBTAJSA-N 2 2 314.473 3.478 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000512576036 435363404 /nfs/dbraw/zinc/36/34/04/435363404.db2.gz AKRDLIGHHFTMCM-KBRIMQKVSA-N 2 2 310.869 3.490 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000512576036 435363409 /nfs/dbraw/zinc/36/34/09/435363409.db2.gz AKRDLIGHHFTMCM-KBRIMQKVSA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC[N@@H+]1C ZINC000648758208 435411262 /nfs/dbraw/zinc/41/12/62/435411262.db2.gz IOVGBUXVSMEVJY-BXUZGUMPSA-N 2 2 312.417 3.109 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC[N@H+]1C ZINC000648758208 435411270 /nfs/dbraw/zinc/41/12/70/435411270.db2.gz IOVGBUXVSMEVJY-BXUZGUMPSA-N 2 2 312.417 3.109 20 0 DGADLP C[NH+](C)C1(CN[C@@H](c2[nH]cc[nH+]2)C2CCCCC2)CCCC1 ZINC000514081227 435413119 /nfs/dbraw/zinc/41/31/19/435413119.db2.gz BASGKWFRGKKJFZ-MRXNPFEDSA-N 2 2 304.482 3.495 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)F ZINC000648619293 435366038 /nfs/dbraw/zinc/36/60/38/435366038.db2.gz OZIAJZTYFRWCGT-MRXNPFEDSA-N 2 2 312.404 3.295 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066677 435368795 /nfs/dbraw/zinc/36/87/95/435368795.db2.gz HOLGITVHVNPKOB-HIFRSBDPSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066677 435368798 /nfs/dbraw/zinc/36/87/98/435368798.db2.gz HOLGITVHVNPKOB-HIFRSBDPSA-N 2 2 323.400 3.021 20 0 DGADLP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625944 435369398 /nfs/dbraw/zinc/36/93/98/435369398.db2.gz IESSBABPDYDLRE-NVXWUHKLSA-N 2 2 317.477 3.214 20 0 DGADLP CC1(C)CO[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625944 435369402 /nfs/dbraw/zinc/36/94/02/435369402.db2.gz IESSBABPDYDLRE-NVXWUHKLSA-N 2 2 317.477 3.214 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C[C@@H](C)O1 ZINC000480271454 435373384 /nfs/dbraw/zinc/37/33/84/435373384.db2.gz ZMXMFDFQEDXLNP-GPMSIDNRSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000536307504 435376915 /nfs/dbraw/zinc/37/69/15/435376915.db2.gz NEBGUBITBFEASM-ILOCAZANSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000536307504 435376924 /nfs/dbraw/zinc/37/69/24/435376924.db2.gz NEBGUBITBFEASM-ILOCAZANSA-N 2 2 306.494 3.187 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(F)c1 ZINC000568030341 435380796 /nfs/dbraw/zinc/38/07/96/435380796.db2.gz RNYUOIVKZVUWOU-AWEZNQCLSA-N 2 2 303.381 3.006 20 0 DGADLP CC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000513398343 435386456 /nfs/dbraw/zinc/38/64/56/435386456.db2.gz RBFBFHPZJGHPEP-MOPGFXCFSA-N 2 2 316.489 3.224 20 0 DGADLP CC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000513398343 435386461 /nfs/dbraw/zinc/38/64/61/435386461.db2.gz RBFBFHPZJGHPEP-MOPGFXCFSA-N 2 2 316.489 3.224 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662165 435388675 /nfs/dbraw/zinc/38/86/75/435388675.db2.gz JTDDMPJOWJZEHN-HIFRSBDPSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662165 435388681 /nfs/dbraw/zinc/38/86/81/435388681.db2.gz JTDDMPJOWJZEHN-HIFRSBDPSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664303 435389457 /nfs/dbraw/zinc/38/94/57/435389457.db2.gz ZIIYFPKLGHDYBM-SCLBCKFNSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664303 435389461 /nfs/dbraw/zinc/38/94/61/435389461.db2.gz ZIIYFPKLGHDYBM-SCLBCKFNSA-N 2 2 308.416 3.360 20 0 DGADLP Clc1ccc(Cl)c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000568159037 435399021 /nfs/dbraw/zinc/39/90/21/435399021.db2.gz AGFRMQYYAIYDCY-UHFFFAOYSA-N 2 2 311.216 3.039 20 0 DGADLP CSc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000514975186 435454413 /nfs/dbraw/zinc/45/44/13/435454413.db2.gz LWIXZRHXQDOZFK-UHFFFAOYSA-N 2 2 303.456 3.450 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639916764 435459874 /nfs/dbraw/zinc/45/98/74/435459874.db2.gz BAAGEDIVNFBVNM-INIZCTEOSA-N 2 2 324.346 3.275 20 0 DGADLP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000568740643 435465022 /nfs/dbraw/zinc/46/50/22/435465022.db2.gz PWNUXFIBCDOIRR-SJCJKPOMSA-N 2 2 318.852 3.101 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000568740817 435466189 /nfs/dbraw/zinc/46/61/89/435466189.db2.gz UQWXDJOQMIHCMU-JTQLQIEISA-N 2 2 318.234 3.022 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)c2)c[nH+]1 ZINC000568392595 435431743 /nfs/dbraw/zinc/43/17/43/435431743.db2.gz MMCUPLJWRQRRRP-YOEHRIQHSA-N 2 2 317.458 3.325 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]3[C@H]3CCCOC3)c2)c[nH+]1 ZINC000568392595 435431748 /nfs/dbraw/zinc/43/17/48/435431748.db2.gz MMCUPLJWRQRRRP-YOEHRIQHSA-N 2 2 317.458 3.325 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](c2nccn2C)c2ccccc2)c[nH+]1 ZINC000516226395 435522007 /nfs/dbraw/zinc/52/20/07/435522007.db2.gz MKJIIWOGIBEJAF-IBGZPJMESA-N 2 2 320.440 3.435 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)C[NH+](C)C ZINC000293734256 298790086 /nfs/dbraw/zinc/79/00/86/298790086.db2.gz QGOGKFBPRKMQGH-RDTXWAMCSA-N 2 2 301.409 3.097 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000639987571 435482949 /nfs/dbraw/zinc/48/29/49/435482949.db2.gz DZZLPWNXHLAPJW-SFHVURJKSA-N 3 2 307.526 3.201 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000639987571 435482967 /nfs/dbraw/zinc/48/29/67/435482967.db2.gz DZZLPWNXHLAPJW-SFHVURJKSA-N 3 2 307.526 3.201 20 0 DGADLP CCC[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000649252160 435547832 /nfs/dbraw/zinc/54/78/32/435547832.db2.gz PMEHVACUSHFSPA-CYBMUJFWSA-N 2 2 309.417 3.255 20 0 DGADLP CCC[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000649252160 435547836 /nfs/dbraw/zinc/54/78/36/435547836.db2.gz PMEHVACUSHFSPA-CYBMUJFWSA-N 2 2 309.417 3.255 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766595 435551647 /nfs/dbraw/zinc/55/16/47/435551647.db2.gz ZAWFEWHDSIFSLN-PKOBYXMFSA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766595 435551652 /nfs/dbraw/zinc/55/16/52/435551652.db2.gz ZAWFEWHDSIFSLN-PKOBYXMFSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792708 435560460 /nfs/dbraw/zinc/56/04/60/435560460.db2.gz KIUMTHICYCZROA-YVEFUNNKSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792708 435560464 /nfs/dbraw/zinc/56/04/64/435560464.db2.gz KIUMTHICYCZROA-YVEFUNNKSA-N 2 2 310.844 3.484 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000649415265 435582823 /nfs/dbraw/zinc/58/28/23/435582823.db2.gz SJIWFUVSOLSRTR-GOEBONIOSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000649415265 435582828 /nfs/dbraw/zinc/58/28/28/435582828.db2.gz SJIWFUVSOLSRTR-GOEBONIOSA-N 2 2 307.507 3.450 20 0 DGADLP CC[C@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@H]1[NH3+] ZINC000649416492 435583841 /nfs/dbraw/zinc/58/38/41/435583841.db2.gz BVCBSKNGKMJOHX-MEDUHNTESA-N 2 2 321.371 3.179 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@H]1[NH3+] ZINC000649416492 435583849 /nfs/dbraw/zinc/58/38/49/435583849.db2.gz BVCBSKNGKMJOHX-MEDUHNTESA-N 2 2 321.371 3.179 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415125 435583968 /nfs/dbraw/zinc/58/39/68/435583968.db2.gz LLBPJPLDABDCDI-KBPBESRZSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415125 435583975 /nfs/dbraw/zinc/58/39/75/435583975.db2.gz LLBPJPLDABDCDI-KBPBESRZSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1cc2c(s1)CCCC2)C[NH+]1CCOCC1 ZINC000484163829 435539016 /nfs/dbraw/zinc/53/90/16/435539016.db2.gz BSTQJVMAZHAXJC-CABCVRRESA-N 2 2 322.518 3.246 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000484179569 435539865 /nfs/dbraw/zinc/53/98/65/435539865.db2.gz ZSGMEVKUVXDDBG-DLBZAZTESA-N 2 2 304.478 3.258 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NC3CC[NH+](C4CC4)CC3)c21 ZINC000649234305 435541857 /nfs/dbraw/zinc/54/18/57/435541857.db2.gz CWEJAHZWKAEURT-UHFFFAOYSA-N 2 2 307.401 3.150 20 0 DGADLP Cc1cccc(C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000484500282 435546193 /nfs/dbraw/zinc/54/61/93/435546193.db2.gz KKAGLOLPFYWAFD-RBUKOAKNSA-N 2 2 318.530 3.343 20 0 DGADLP Cc1ccccc1[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000517755361 435609287 /nfs/dbraw/zinc/60/92/87/435609287.db2.gz VJTZBEXJYCWMIW-QFBILLFUSA-N 2 2 313.445 3.123 20 0 DGADLP Cc1ccccc1[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000517755361 435609289 /nfs/dbraw/zinc/60/92/89/435609289.db2.gz VJTZBEXJYCWMIW-QFBILLFUSA-N 2 2 313.445 3.123 20 0 DGADLP CC(C)CO[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000540595250 435611196 /nfs/dbraw/zinc/61/11/96/435611196.db2.gz XQXZVOXYDQMWLA-DLBZAZTESA-N 2 2 315.461 3.306 20 0 DGADLP CC[C@H](C[NH2+]C[C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486942523 435622166 /nfs/dbraw/zinc/62/21/66/435622166.db2.gz VHYZSYZXNXVEBH-CRAIPNDOSA-N 2 2 304.503 3.166 20 0 DGADLP CC[C@H](C[NH2+]C[C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486942523 435622168 /nfs/dbraw/zinc/62/21/68/435622168.db2.gz VHYZSYZXNXVEBH-CRAIPNDOSA-N 2 2 304.503 3.166 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)c1cccc(OC)c1 ZINC000645383884 435632311 /nfs/dbraw/zinc/63/23/11/435632311.db2.gz IAUPPYWJOGNDCF-YJBOKZPZSA-N 2 2 322.493 3.481 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285845 435596369 /nfs/dbraw/zinc/59/63/69/435596369.db2.gz QNPRKBQCKFJBSE-GDBMZVCRSA-N 2 2 306.413 3.232 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285845 435596374 /nfs/dbraw/zinc/59/63/74/435596374.db2.gz QNPRKBQCKFJBSE-GDBMZVCRSA-N 2 2 306.413 3.232 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]CC2(O)CCC2)CCCC1)c1ccccc1 ZINC000570836604 435655524 /nfs/dbraw/zinc/65/55/24/435655524.db2.gz HTBRMYLCSOAGED-MRXNPFEDSA-N 2 2 302.462 3.155 20 0 DGADLP CC(C)c1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)cc(C(C)(C)C)[nH+]1 ZINC000519123040 435669330 /nfs/dbraw/zinc/66/93/30/435669330.db2.gz QBFFOTFROQCPMZ-IBGZPJMESA-N 2 2 316.493 3.477 20 0 DGADLP Cc1noc([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000571103681 435678565 /nfs/dbraw/zinc/67/85/65/435678565.db2.gz GMVFRGOTXZJRSP-ZDUSSCGKSA-N 2 2 311.389 3.065 20 0 DGADLP Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000571103681 435678567 /nfs/dbraw/zinc/67/85/67/435678567.db2.gz GMVFRGOTXZJRSP-ZDUSSCGKSA-N 2 2 311.389 3.065 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548307123 435683871 /nfs/dbraw/zinc/68/38/71/435683871.db2.gz WULLQDPVVDNXQH-DGCLKSJQSA-N 2 2 305.809 3.211 20 0 DGADLP COc1cncc(/C=C/CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000645793761 435691597 /nfs/dbraw/zinc/69/15/97/435691597.db2.gz RVTBAMZCTDGZAX-RTZWDOBSSA-N 2 2 312.417 3.027 20 0 DGADLP COc1cncc(/C=C/CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000645793761 435691602 /nfs/dbraw/zinc/69/16/02/435691602.db2.gz RVTBAMZCTDGZAX-RTZWDOBSSA-N 2 2 312.417 3.027 20 0 DGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641113227 435693002 /nfs/dbraw/zinc/69/30/02/435693002.db2.gz XWZROABRYDDHSI-KRWDZBQOSA-N 2 2 315.465 3.453 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000491028143 435699017 /nfs/dbraw/zinc/69/90/17/435699017.db2.gz CUSFOLDGMYTWMM-MKBNYLNASA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000491028143 435699021 /nfs/dbraw/zinc/69/90/21/435699021.db2.gz CUSFOLDGMYTWMM-MKBNYLNASA-N 2 2 310.388 3.421 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCc3c(F)cccc3F)CC2)c1 ZINC000645816311 435699436 /nfs/dbraw/zinc/69/94/36/435699436.db2.gz KVESSALXLXXAOE-UHFFFAOYSA-N 2 2 317.383 3.033 20 0 DGADLP C[C@@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]1 ZINC000571669370 435726329 /nfs/dbraw/zinc/72/63/29/435726329.db2.gz JIIZAQKTSLNWLQ-ZYHUDNBSSA-N 2 2 303.233 3.102 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000655699649 435732130 /nfs/dbraw/zinc/73/21/30/435732130.db2.gz HFSIQDOSTJHLDK-JSGCOSHPSA-N 2 2 305.422 3.385 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1 ZINC000655717372 435747051 /nfs/dbraw/zinc/74/70/51/435747051.db2.gz CPIGELBFHPIRFC-IRXDYDNUSA-N 2 2 321.428 3.025 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000655722673 435750106 /nfs/dbraw/zinc/75/01/06/435750106.db2.gz FXCPYXZVWRANEC-YOEHRIQHSA-N 2 2 306.425 3.038 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655732159 435757368 /nfs/dbraw/zinc/75/73/68/435757368.db2.gz ZGGJRXJSUYLAGS-CJNGLKHVSA-N 2 2 324.415 3.259 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664676770 435757928 /nfs/dbraw/zinc/75/79/28/435757928.db2.gz BSWNXQCFYACIMC-AWEZNQCLSA-N 2 2 316.424 3.246 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664676770 435757938 /nfs/dbraw/zinc/75/79/38/435757938.db2.gz BSWNXQCFYACIMC-AWEZNQCLSA-N 2 2 316.424 3.246 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655734445 435757905 /nfs/dbraw/zinc/75/79/05/435757905.db2.gz IMIBIRUNIQLICX-QFBILLFUSA-N 2 2 314.473 3.252 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000655733023 435758541 /nfs/dbraw/zinc/75/85/41/435758541.db2.gz IDLULZQSEDBMOU-KCUHQSDYSA-N 2 2 314.473 3.022 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655736261 435759567 /nfs/dbraw/zinc/75/95/67/435759567.db2.gz CPJNQDBMXNKKQU-SYNHAJSKSA-N 2 2 314.473 3.468 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000571404428 435705349 /nfs/dbraw/zinc/70/53/49/435705349.db2.gz ORFIFDBZWKSWKA-NEPJUHHUSA-N 2 2 303.631 3.072 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000649793557 435706415 /nfs/dbraw/zinc/70/64/15/435706415.db2.gz LBGXTBYEJSULDQ-GOSISDBHSA-N 2 2 313.445 3.297 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000649793557 435706419 /nfs/dbraw/zinc/70/64/19/435706419.db2.gz LBGXTBYEJSULDQ-GOSISDBHSA-N 2 2 313.445 3.297 20 0 DGADLP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771198 435787527 /nfs/dbraw/zinc/78/75/27/435787527.db2.gz CMHWJPUVRYWTTL-KXBFYZLASA-N 2 2 318.436 3.046 20 0 DGADLP CCCC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCc2ncsc2C1 ZINC000646130230 435788606 /nfs/dbraw/zinc/78/86/06/435788606.db2.gz MOIQCCGLWHTSHZ-AWEZNQCLSA-N 2 2 318.490 3.079 20 0 DGADLP CCCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCc2ncsc2C1 ZINC000646130230 435788614 /nfs/dbraw/zinc/78/86/14/435788614.db2.gz MOIQCCGLWHTSHZ-AWEZNQCLSA-N 2 2 318.490 3.079 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000651686532 435788776 /nfs/dbraw/zinc/78/87/76/435788776.db2.gz AOSXTMOPHKANQT-MRXNPFEDSA-N 2 2 301.434 3.413 20 0 DGADLP COc1cc(OC)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000651683748 435790906 /nfs/dbraw/zinc/79/09/06/435790906.db2.gz LXGSDJYQUDEJQE-AWEZNQCLSA-N 2 2 324.440 3.055 20 0 DGADLP Fc1cccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000655779413 435794806 /nfs/dbraw/zinc/79/48/06/435794806.db2.gz KXBPSWOFUSTIOS-SFHVURJKSA-N 2 2 318.436 3.048 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000550631223 435808023 /nfs/dbraw/zinc/80/80/23/435808023.db2.gz LHGFBPLIFNXGRJ-HOTGVXAUSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000550631223 435808028 /nfs/dbraw/zinc/80/80/28/435808028.db2.gz LHGFBPLIFNXGRJ-HOTGVXAUSA-N 2 2 303.450 3.091 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550907441 435812513 /nfs/dbraw/zinc/81/25/13/435812513.db2.gz MCPQIZQLUYRVJL-FFZOFVMBSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550907441 435812521 /nfs/dbraw/zinc/81/25/21/435812521.db2.gz MCPQIZQLUYRVJL-FFZOFVMBSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)o1 ZINC000660479151 435770053 /nfs/dbraw/zinc/77/00/53/435770053.db2.gz FHNZUEZSQXIHFR-OAHLLOKOSA-N 2 2 314.433 3.204 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)o1 ZINC000660479151 435770060 /nfs/dbraw/zinc/77/00/60/435770060.db2.gz FHNZUEZSQXIHFR-OAHLLOKOSA-N 2 2 314.433 3.204 20 0 DGADLP OCC1([C@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc2)CC=CC1 ZINC000646080206 435770741 /nfs/dbraw/zinc/77/07/41/435770741.db2.gz MAEXFTCSPLYUFV-LJQANCHMSA-N 2 2 314.473 3.132 20 0 DGADLP COc1ccc(-c2nc(C[NH2+]CCC[NH+]3CCC3)cs2)cc1 ZINC000655755105 435776655 /nfs/dbraw/zinc/77/66/55/435776655.db2.gz OROXTMSNNOMHAJ-UHFFFAOYSA-N 2 2 317.458 3.004 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCC2(C)C)C1 ZINC000549859984 435782093 /nfs/dbraw/zinc/78/20/93/435782093.db2.gz SEUUPQMXGBXYMS-IMFGXOCKSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCC2(C)C)C1 ZINC000549859984 435782096 /nfs/dbraw/zinc/78/20/96/435782096.db2.gz SEUUPQMXGBXYMS-IMFGXOCKSA-N 2 2 316.489 3.353 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000651669019 435783696 /nfs/dbraw/zinc/78/36/96/435783696.db2.gz AFNRDIVQTBHPBJ-OAHLLOKOSA-N 2 2 303.450 3.386 20 0 DGADLP Fc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771177 435785469 /nfs/dbraw/zinc/78/54/69/435785469.db2.gz BZPALQFHSIEYGU-SFHVURJKSA-N 2 2 318.436 3.046 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cs2)c1 ZINC000641804257 435828316 /nfs/dbraw/zinc/82/83/16/435828316.db2.gz XHXICEUAICVFDN-GJZGRUSLSA-N 2 2 317.458 3.034 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000641804368 435828500 /nfs/dbraw/zinc/82/85/00/435828500.db2.gz YZWOPPUHICQDOC-ZIAGYGMSSA-N 2 2 305.422 3.165 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000655848588 435838233 /nfs/dbraw/zinc/83/82/33/435838233.db2.gz IGYAEDSCKPGTPD-CEXWTWQISA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CCC2 ZINC000655848588 435838237 /nfs/dbraw/zinc/83/82/37/435838237.db2.gz IGYAEDSCKPGTPD-CEXWTWQISA-N 2 2 300.446 3.376 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655849310 435838480 /nfs/dbraw/zinc/83/84/80/435838480.db2.gz NQHAIRZVHFLOAK-BHYGNILZSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655849310 435838488 /nfs/dbraw/zinc/83/84/88/435838488.db2.gz NQHAIRZVHFLOAK-BHYGNILZSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)COC2 ZINC000655849476 435838860 /nfs/dbraw/zinc/83/88/60/435838860.db2.gz VOYUVUUWPQGXCC-KYNGSXCRSA-N 2 2 300.446 3.384 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)COC2 ZINC000655849476 435838866 /nfs/dbraw/zinc/83/88/66/435838866.db2.gz VOYUVUUWPQGXCC-KYNGSXCRSA-N 2 2 300.446 3.384 20 0 DGADLP C1CC[N@@H+]2CCC[C@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@H]2C1 ZINC000655849247 435839743 /nfs/dbraw/zinc/83/97/43/435839743.db2.gz RIDLRGDZDGZLBQ-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP C1CC[N@H+]2CCC[C@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@H]2C1 ZINC000655849247 435839747 /nfs/dbraw/zinc/83/97/47/435839747.db2.gz RIDLRGDZDGZLBQ-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848197 435840253 /nfs/dbraw/zinc/84/02/53/435840253.db2.gz GSMZNBWMHDGYGS-SNRMKQJTSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848197 435840257 /nfs/dbraw/zinc/84/02/57/435840257.db2.gz GSMZNBWMHDGYGS-SNRMKQJTSA-N 2 2 302.462 3.233 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)COC2 ZINC000655849477 435841122 /nfs/dbraw/zinc/84/11/22/435841122.db2.gz VOYUVUUWPQGXCC-ZOCIIQOWSA-N 2 2 300.446 3.384 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)COC2 ZINC000655849477 435841127 /nfs/dbraw/zinc/84/11/27/435841127.db2.gz VOYUVUUWPQGXCC-ZOCIIQOWSA-N 2 2 300.446 3.384 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000655849204 435841258 /nfs/dbraw/zinc/84/12/58/435841258.db2.gz QFSYEBLTYOXNIM-IEZWGBDMSA-N 2 2 301.478 3.420 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000655849204 435841266 /nfs/dbraw/zinc/84/12/66/435841266.db2.gz QFSYEBLTYOXNIM-IEZWGBDMSA-N 2 2 301.478 3.420 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OC(F)F)C2 ZINC000660653233 435842631 /nfs/dbraw/zinc/84/26/31/435842631.db2.gz QBWCANZKSWKWCA-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OC(F)F)C2 ZINC000660653233 435842633 /nfs/dbraw/zinc/84/26/33/435842633.db2.gz QBWCANZKSWKWCA-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1OC(F)F)C2 ZINC000660653233 435842638 /nfs/dbraw/zinc/84/26/38/435842638.db2.gz QBWCANZKSWKWCA-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1OC(F)F)C2 ZINC000660653233 435842641 /nfs/dbraw/zinc/84/26/41/435842641.db2.gz QBWCANZKSWKWCA-KRWDZBQOSA-N 2 2 310.388 3.206 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850473 435842871 /nfs/dbraw/zinc/84/28/71/435842871.db2.gz VUBSTTMEFRCYTR-RYQLBKOJSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850473 435842876 /nfs/dbraw/zinc/84/28/76/435842876.db2.gz VUBSTTMEFRCYTR-RYQLBKOJSA-N 2 2 302.462 3.233 20 0 DGADLP COc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655855363 435844293 /nfs/dbraw/zinc/84/42/93/435844293.db2.gz FXOZNJTVUCXMKF-DLBZAZTESA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655855363 435844300 /nfs/dbraw/zinc/84/43/00/435844300.db2.gz FXOZNJTVUCXMKF-DLBZAZTESA-N 2 2 318.461 3.119 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655855737 435844575 /nfs/dbraw/zinc/84/45/75/435844575.db2.gz HOPGLHOLPQHAHR-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655855737 435844580 /nfs/dbraw/zinc/84/45/80/435844580.db2.gz HOPGLHOLPQHAHR-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651865819 435850611 /nfs/dbraw/zinc/85/06/11/435850611.db2.gz IUTPSMOKQLTJPQ-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000651865819 435850613 /nfs/dbraw/zinc/85/06/13/435850613.db2.gz IUTPSMOKQLTJPQ-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP CCn1c(C[NH2+]CCC[N@H+](C)CC(C)C)nc2ccccc21 ZINC000651866764 435851901 /nfs/dbraw/zinc/85/19/01/435851901.db2.gz QKUWQXICEILNNN-UHFFFAOYSA-N 2 2 302.466 3.124 20 0 DGADLP CCn1c(C[NH2+]CCC[N@@H+](C)CC(C)C)nc2ccccc21 ZINC000651866764 435851909 /nfs/dbraw/zinc/85/19/09/435851909.db2.gz QKUWQXICEILNNN-UHFFFAOYSA-N 2 2 302.466 3.124 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccccn3)C2)s1 ZINC000572682554 435855900 /nfs/dbraw/zinc/85/59/00/435855900.db2.gz KTSZZVHBZRKELF-INIZCTEOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccccn3)C2)s1 ZINC000572682554 435855904 /nfs/dbraw/zinc/85/59/04/435855904.db2.gz KTSZZVHBZRKELF-INIZCTEOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccccn3)C2)s1 ZINC000572682554 435855909 /nfs/dbraw/zinc/85/59/09/435855909.db2.gz KTSZZVHBZRKELF-INIZCTEOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccccn3)C2)s1 ZINC000572682554 435855915 /nfs/dbraw/zinc/85/59/15/435855915.db2.gz KTSZZVHBZRKELF-INIZCTEOSA-N 2 2 315.486 3.405 20 0 DGADLP CC(C)O[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000651897959 435858795 /nfs/dbraw/zinc/85/87/95/435858795.db2.gz PCDWBLVQOVCBEL-OAHLLOKOSA-N 2 2 305.447 3.323 20 0 DGADLP CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000651897959 435858797 /nfs/dbraw/zinc/85/87/97/435858797.db2.gz PCDWBLVQOVCBEL-OAHLLOKOSA-N 2 2 305.447 3.323 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000572735312 435860157 /nfs/dbraw/zinc/86/01/57/435860157.db2.gz WHZXYRRHNJLTAN-KRWDZBQOSA-N 2 2 313.445 3.087 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000572735312 435860164 /nfs/dbraw/zinc/86/01/64/435860164.db2.gz WHZXYRRHNJLTAN-KRWDZBQOSA-N 2 2 313.445 3.087 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909727 435861871 /nfs/dbraw/zinc/86/18/71/435861871.db2.gz UZBMGPSSLUSMIE-KXBFYZLASA-N 2 2 323.440 3.446 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909727 435861878 /nfs/dbraw/zinc/86/18/78/435861878.db2.gz UZBMGPSSLUSMIE-KXBFYZLASA-N 2 2 323.440 3.446 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC1 ZINC000651910523 435865538 /nfs/dbraw/zinc/86/55/38/435865538.db2.gz XAMASZTXEGBACD-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H](C3CC3)C3CCOCC3)c2)c[nH+]1 ZINC000651928368 435867571 /nfs/dbraw/zinc/86/75/71/435867571.db2.gz FLGFTWPDQOEWHA-QGZVFWFLSA-N 2 2 317.458 3.229 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3nsc4ccccc34)CC2)[nH+]c1 ZINC000641791972 435825221 /nfs/dbraw/zinc/82/52/21/435825221.db2.gz MPUBYKMPXIIBIP-UHFFFAOYSA-N 2 2 324.453 3.450 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1[NH3+] ZINC000641804999 435827216 /nfs/dbraw/zinc/82/72/16/435827216.db2.gz LHMCMIYPQJLWGY-UONOGXRCSA-N 2 2 305.809 3.210 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000641804773 435827290 /nfs/dbraw/zinc/82/72/90/435827290.db2.gz LMYVXVLRTZRKEJ-KGLIPLIRSA-N 2 2 305.809 3.210 20 0 DGADLP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000660762406 435885824 /nfs/dbraw/zinc/88/58/24/435885824.db2.gz LMEJHQVDGJZKDF-BTTYYORXSA-N 2 2 304.400 3.381 20 0 DGADLP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000660762406 435885831 /nfs/dbraw/zinc/88/58/31/435885831.db2.gz LMEJHQVDGJZKDF-BTTYYORXSA-N 2 2 304.400 3.381 20 0 DGADLP COCc1cc[nH+]c(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000652068361 435901146 /nfs/dbraw/zinc/90/11/46/435901146.db2.gz BMYLVDDFPUQNTQ-UHFFFAOYSA-N 2 2 311.429 3.305 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](C[C@@H]4CCCCO4)CC3)[nH]c2c1 ZINC000660852840 435908152 /nfs/dbraw/zinc/90/81/52/435908152.db2.gz JCUQSNGLMKXMGY-INIZCTEOSA-N 2 2 313.445 3.387 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](CCOC4CCC4)CC3)[nH]c2c1 ZINC000660857565 435908854 /nfs/dbraw/zinc/90/88/54/435908854.db2.gz RJAVCQFELJNHMB-UHFFFAOYSA-N 2 2 313.445 3.387 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000652222091 435925446 /nfs/dbraw/zinc/92/54/46/435925446.db2.gz FGVINICWRHUECG-LJQANCHMSA-N 2 2 312.461 3.134 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000652222091 435925448 /nfs/dbraw/zinc/92/54/48/435925448.db2.gz FGVINICWRHUECG-LJQANCHMSA-N 2 2 312.461 3.134 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000665243639 435926501 /nfs/dbraw/zinc/92/65/01/435926501.db2.gz OIXCJMJGLQCONG-SCVCMEIPSA-N 2 2 303.233 3.101 20 0 DGADLP CC(C)CCc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]c1 ZINC000656262045 435928195 /nfs/dbraw/zinc/92/81/95/435928195.db2.gz GUWWUCUTNFUZCZ-SFHVURJKSA-N 2 2 317.477 3.335 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250472 435928736 /nfs/dbraw/zinc/92/87/36/435928736.db2.gz RZKFFIKOGXSVDP-LSTHTHJFSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1OC(F)F ZINC000665249053 435928764 /nfs/dbraw/zinc/92/87/64/435928764.db2.gz ILXFROHYDTUZNR-SNVBAGLBSA-N 2 2 302.340 3.349 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C12CCC2 ZINC000665251521 435929000 /nfs/dbraw/zinc/92/90/00/435929000.db2.gz RLCJSYTUOCUWRE-YRXWBPOGSA-N 2 2 314.473 3.069 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1sccc1Br ZINC000665248705 435929237 /nfs/dbraw/zinc/92/92/37/435929237.db2.gz ANHMLKFHTBGVKP-VIFPVBQESA-N 2 2 303.269 3.433 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1 ZINC000665254428 435930589 /nfs/dbraw/zinc/93/05/89/435930589.db2.gz PZRNIBRNINACTE-HFBAOOFYSA-N 2 2 319.449 3.387 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000665255659 435930829 /nfs/dbraw/zinc/93/08/29/435930829.db2.gz YTNZXHDPOWMHRQ-GBESFXJTSA-N 2 2 314.473 3.453 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cncc(F)c1 ZINC000665254063 435930851 /nfs/dbraw/zinc/93/08/51/435930851.db2.gz HDNQXLWKCBRCBL-NXOUGTEYSA-N 2 2 317.383 3.156 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000665257012 435931964 /nfs/dbraw/zinc/93/19/64/435931964.db2.gz WCICJKMQVPWELQ-KKXDTOCCSA-N 2 2 300.402 3.085 20 0 DGADLP COc1ccc(-c2cc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])on2)cc1 ZINC000665261845 435932159 /nfs/dbraw/zinc/93/21/59/435932159.db2.gz MYYQWCYAIYIJLS-SJORKVTESA-N 2 2 315.417 3.100 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656276404 435934847 /nfs/dbraw/zinc/93/48/47/435934847.db2.gz FVCBCESLQXNLOY-BPQIPLTHSA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656276404 435934848 /nfs/dbraw/zinc/93/48/48/435934848.db2.gz FVCBCESLQXNLOY-BPQIPLTHSA-N 2 2 300.446 3.159 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2(CCC2)CO1 ZINC000651974741 435880292 /nfs/dbraw/zinc/88/02/92/435880292.db2.gz NVAFECXMGDUJDR-ZDUSSCGKSA-N 2 2 303.431 3.077 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2(CCC2)CO1 ZINC000651974741 435880295 /nfs/dbraw/zinc/88/02/95/435880295.db2.gz NVAFECXMGDUJDR-ZDUSSCGKSA-N 2 2 303.431 3.077 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)[C@H]1CC[NH3+] ZINC000652355841 435958955 /nfs/dbraw/zinc/95/89/55/435958955.db2.gz JQRPQONFUVJIBV-OLZOCXBDSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)[C@H]1CC[NH3+] ZINC000652355841 435958959 /nfs/dbraw/zinc/95/89/59/435958959.db2.gz JQRPQONFUVJIBV-OLZOCXBDSA-N 2 2 305.447 3.352 20 0 DGADLP COCc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647262893 435994391 /nfs/dbraw/zinc/99/43/91/435994391.db2.gz XFDNHWJWJVXXET-UHFFFAOYSA-N 2 2 309.413 3.121 20 0 DGADLP c1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000647177165 435962639 /nfs/dbraw/zinc/96/26/39/435962639.db2.gz OEYUYDDSTFRYAJ-MRXNPFEDSA-N 2 2 313.470 3.430 20 0 DGADLP c1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000647177165 435962644 /nfs/dbraw/zinc/96/26/44/435962644.db2.gz OEYUYDDSTFRYAJ-MRXNPFEDSA-N 2 2 313.470 3.430 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229473 435982531 /nfs/dbraw/zinc/98/25/31/435982531.db2.gz OOZTZUGEQXBQHW-UZLBHIALSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229473 435982535 /nfs/dbraw/zinc/98/25/35/435982535.db2.gz OOZTZUGEQXBQHW-UZLBHIALSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229472 435983665 /nfs/dbraw/zinc/98/36/65/435983665.db2.gz OOZTZUGEQXBQHW-OXQOHEQNSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229472 435983671 /nfs/dbraw/zinc/98/36/71/435983671.db2.gz OOZTZUGEQXBQHW-OXQOHEQNSA-N 2 2 310.441 3.104 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000647243278 435987766 /nfs/dbraw/zinc/98/77/66/435987766.db2.gz HFJVXMCCPQHILQ-PBWTXFEYSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000647243278 435987771 /nfs/dbraw/zinc/98/77/71/435987771.db2.gz HFJVXMCCPQHILQ-PBWTXFEYSA-N 2 2 304.478 3.209 20 0 DGADLP Brc1cccc2c1CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278704 435937734 /nfs/dbraw/zinc/93/77/34/435937734.db2.gz MTEOXRRYIHWUSJ-AJQRCPHMSA-N 2 2 321.262 3.168 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000665282038 435937817 /nfs/dbraw/zinc/93/78/17/435937817.db2.gz PLLCILFSPNCQFI-BXKDBHETSA-N 2 2 318.234 3.007 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665279771 435938808 /nfs/dbraw/zinc/93/88/08/435938808.db2.gz LUTRXKDBNQPCLH-WMEQCIOUSA-N 2 2 321.262 3.086 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000665296483 435942698 /nfs/dbraw/zinc/94/26/98/435942698.db2.gz TVSSCMYSPSHBRO-CHWSQXEVSA-N 2 2 303.475 3.301 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402361 435944634 /nfs/dbraw/zinc/94/46/34/435944634.db2.gz FNGCNYROTRJDRU-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402361 435944638 /nfs/dbraw/zinc/94/46/38/435944638.db2.gz FNGCNYROTRJDRU-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402361 435944642 /nfs/dbraw/zinc/94/46/42/435944642.db2.gz FNGCNYROTRJDRU-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402361 435944645 /nfs/dbraw/zinc/94/46/45/435944645.db2.gz FNGCNYROTRJDRU-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402359 435944874 /nfs/dbraw/zinc/94/48/74/435944874.db2.gz FNGCNYROTRJDRU-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402359 435944877 /nfs/dbraw/zinc/94/48/77/435944877.db2.gz FNGCNYROTRJDRU-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402359 435944882 /nfs/dbraw/zinc/94/48/82/435944882.db2.gz FNGCNYROTRJDRU-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402359 435944887 /nfs/dbraw/zinc/94/48/87/435944887.db2.gz FNGCNYROTRJDRU-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1 ZINC000647281397 435997624 /nfs/dbraw/zinc/99/76/24/435997624.db2.gz MHCXFMWCAAOINU-LMMKCTJWSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650716790 436004090 /nfs/dbraw/zinc/00/40/90/436004090.db2.gz JZVQLAHWAJLRDM-UHFFFAOYSA-N 2 2 307.438 3.328 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000650758568 436022631 /nfs/dbraw/zinc/02/26/31/436022631.db2.gz SKFPXMKEIMBGFJ-DYESRHJHSA-N 3 2 323.484 3.159 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000650758568 436022637 /nfs/dbraw/zinc/02/26/37/436022637.db2.gz SKFPXMKEIMBGFJ-DYESRHJHSA-N 3 2 323.484 3.159 20 0 DGADLP COC1([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)CCCC1 ZINC000647363437 436030941 /nfs/dbraw/zinc/03/09/41/436030941.db2.gz AGFPBNLEDCFJNW-HNNXBMFYSA-N 2 2 301.434 3.123 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cccc(CO)c3)cn21 ZINC000647363721 436031458 /nfs/dbraw/zinc/03/14/58/436031458.db2.gz IMMNXQIBEYGMEM-OAHLLOKOSA-N 2 2 309.413 3.028 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCc4cccnc43)cn21 ZINC000647363499 436032112 /nfs/dbraw/zinc/03/21/12/436032112.db2.gz BVFLFKGFZKYOAJ-KRWDZBQOSA-N 2 2 306.413 3.247 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280789 435996854 /nfs/dbraw/zinc/99/68/54/435996854.db2.gz BCSVADXZCSZGGE-RTBURBONSA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280789 435996859 /nfs/dbraw/zinc/99/68/59/435996859.db2.gz BCSVADXZCSZGGE-RTBURBONSA-N 2 2 319.493 3.115 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480629 436059088 /nfs/dbraw/zinc/05/90/88/436059088.db2.gz VRQWOARQUUNREJ-PXNSSMCTSA-N 2 2 324.472 3.145 20 0 DGADLP c1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480444 436060891 /nfs/dbraw/zinc/06/08/91/436060891.db2.gz OAKZLUCFVGOJGD-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480444 436060894 /nfs/dbraw/zinc/06/08/94/436060894.db2.gz OAKZLUCFVGOJGD-FUHWJXTLSA-N 2 2 310.445 3.041 20 0 DGADLP COc1ccc2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)sc2c1 ZINC000647482667 436062366 /nfs/dbraw/zinc/06/23/66/436062366.db2.gz XBWIPHJIVHYJBX-UHFFFAOYSA-N 2 2 317.458 3.021 20 0 DGADLP COc1ccc2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)sc2c1 ZINC000647482667 436062371 /nfs/dbraw/zinc/06/23/71/436062371.db2.gz XBWIPHJIVHYJBX-UHFFFAOYSA-N 2 2 317.458 3.021 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1[NH3+] ZINC000647498130 436067311 /nfs/dbraw/zinc/06/73/11/436067311.db2.gz AYAOJRWHSONFHL-YPMHNXCESA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1[NH3+] ZINC000647498130 436067320 /nfs/dbraw/zinc/06/73/20/436067320.db2.gz AYAOJRWHSONFHL-YPMHNXCESA-N 2 2 307.488 3.431 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000647507900 436068508 /nfs/dbraw/zinc/06/85/08/436068508.db2.gz ZPTRDEYOLKEYTE-UZLBHIALSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000647507900 436068513 /nfs/dbraw/zinc/06/85/13/436068513.db2.gz ZPTRDEYOLKEYTE-UZLBHIALSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1cc(Br)c(C[NH+]2CCC(C)([NH3+])CC2)s1 ZINC000647530974 436073428 /nfs/dbraw/zinc/07/34/28/436073428.db2.gz SFEPEFSBCPNUOT-UHFFFAOYSA-N 2 2 303.269 3.132 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543433 436079413 /nfs/dbraw/zinc/07/94/13/436079413.db2.gz NIBULINFVSVODJ-MOPGFXCFSA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543433 436079416 /nfs/dbraw/zinc/07/94/16/436079416.db2.gz NIBULINFVSVODJ-MOPGFXCFSA-N 3 2 301.478 3.034 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647548543 436081029 /nfs/dbraw/zinc/08/10/29/436081029.db2.gz HBIKDSLKOSZXGQ-WBVHZDCISA-N 2 2 312.461 3.083 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc(Cl)c1OC ZINC000647553683 436083056 /nfs/dbraw/zinc/08/30/56/436083056.db2.gz HDNMNDKYESEUNL-HNNXBMFYSA-N 2 2 324.852 3.122 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647803753 436126512 /nfs/dbraw/zinc/12/65/12/436126512.db2.gz AOFHSWRRKPVPOO-CZUORRHYSA-N 2 2 308.853 3.076 20 0 DGADLP C[NH2+][C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647830627 436130221 /nfs/dbraw/zinc/13/02/21/436130221.db2.gz XOUIGIRYLDITCU-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP C[NH2+][C@@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647830627 436130226 /nfs/dbraw/zinc/13/02/26/436130226.db2.gz XOUIGIRYLDITCU-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP Fc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1OC1CC1 ZINC000657314392 436132368 /nfs/dbraw/zinc/13/23/68/436132368.db2.gz UHYBODYTPFKLIR-HUUCEWRRSA-N 2 2 304.409 3.083 20 0 DGADLP Fc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1OC1CC1 ZINC000657314392 436132372 /nfs/dbraw/zinc/13/23/72/436132372.db2.gz UHYBODYTPFKLIR-HUUCEWRRSA-N 2 2 304.409 3.083 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000647867331 436136752 /nfs/dbraw/zinc/13/67/52/436136752.db2.gz AKUSPQRQKXFWRD-AWEZNQCLSA-N 2 2 304.768 3.158 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)CCC2 ZINC000657330078 436139690 /nfs/dbraw/zinc/13/96/90/436139690.db2.gz ZICUHVCHQBXJRG-APWZRJJASA-N 2 2 311.429 3.087 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657337543 436145402 /nfs/dbraw/zinc/14/54/02/436145402.db2.gz YSELKNHXOGYUOC-GFCCVEGCSA-N 2 2 316.367 3.249 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657337543 436145408 /nfs/dbraw/zinc/14/54/08/436145408.db2.gz YSELKNHXOGYUOC-GFCCVEGCSA-N 2 2 316.367 3.249 20 0 DGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000647911812 436146408 /nfs/dbraw/zinc/14/64/08/436146408.db2.gz LHPKEBSDECOZAK-CQSZACIVSA-N 2 2 314.433 3.002 20 0 DGADLP CCCn1nccc1C[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000657288986 436116344 /nfs/dbraw/zinc/11/63/44/436116344.db2.gz NLOGDSAXHGGEIO-UHFFFAOYSA-N 2 2 311.433 3.131 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657295363 436118831 /nfs/dbraw/zinc/11/88/31/436118831.db2.gz OJSMNMRXTDFXIP-UHFFFAOYSA-N 2 2 311.307 3.018 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657294969 436118953 /nfs/dbraw/zinc/11/89/53/436118953.db2.gz YNHKQMUJRYPMAL-UHFFFAOYSA-N 2 2 316.367 3.391 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657292034 436119929 /nfs/dbraw/zinc/11/99/29/436119929.db2.gz CNGVHBSXHZPFGW-UHFFFAOYSA-N 2 2 302.340 3.001 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657294223 436120467 /nfs/dbraw/zinc/12/04/67/436120467.db2.gz ITHNEURGPPHLGA-UHFFFAOYSA-N 2 2 316.367 3.390 20 0 DGADLP CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647955283 436158522 /nfs/dbraw/zinc/15/85/22/436158522.db2.gz LKPUDAAZQUSYRU-OAHLLOKOSA-N 2 2 318.461 3.128 20 0 DGADLP CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647955283 436158528 /nfs/dbraw/zinc/15/85/28/436158528.db2.gz LKPUDAAZQUSYRU-OAHLLOKOSA-N 2 2 318.461 3.128 20 0 DGADLP CCc1oc2ccccc2c1C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647955283 436158532 /nfs/dbraw/zinc/15/85/32/436158532.db2.gz LKPUDAAZQUSYRU-OAHLLOKOSA-N 2 2 318.461 3.128 20 0 DGADLP CCc1oc2ccccc2c1C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647955283 436158536 /nfs/dbraw/zinc/15/85/36/436158536.db2.gz LKPUDAAZQUSYRU-OAHLLOKOSA-N 2 2 318.461 3.128 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000657368023 436159706 /nfs/dbraw/zinc/15/97/06/436159706.db2.gz SYADTQHPMBVWIR-UHFFFAOYSA-N 2 2 311.433 3.073 20 0 DGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1cccc(Cl)c1 ZINC000657376435 436165073 /nfs/dbraw/zinc/16/50/73/436165073.db2.gz GLRJDNLNTZIHRZ-GFCCVEGCSA-N 2 2 305.809 3.040 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000657381626 436168369 /nfs/dbraw/zinc/16/83/69/436168369.db2.gz QSRHUFRFIRHWHJ-KRWDZBQOSA-N 2 2 323.444 3.271 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(C)[nH+]1 ZINC000408464848 301186877 /nfs/dbraw/zinc/18/68/77/301186877.db2.gz IWEXGNFGJWCPCA-AWEZNQCLSA-N 2 2 313.405 3.489 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCCC23CC[NH+](C)CC3)c(C)[nH+]1 ZINC000455507944 301186894 /nfs/dbraw/zinc/18/68/94/301186894.db2.gz ZKNNXBQGCLFDQH-UHFFFAOYSA-N 2 2 316.449 3.099 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657379239 436168047 /nfs/dbraw/zinc/16/80/47/436168047.db2.gz ZGPJZBZPSYSBMH-CZUORRHYSA-N 2 2 306.425 3.187 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657379239 436168051 /nfs/dbraw/zinc/16/80/51/436168051.db2.gz ZGPJZBZPSYSBMH-CZUORRHYSA-N 2 2 306.425 3.187 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000648010617 436179099 /nfs/dbraw/zinc/17/90/99/436179099.db2.gz LFVBQVIALRGFHF-AEFFLSMTSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000648010617 436179104 /nfs/dbraw/zinc/17/91/04/436179104.db2.gz LFVBQVIALRGFHF-AEFFLSMTSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000648010617 436179112 /nfs/dbraw/zinc/17/91/12/436179112.db2.gz LFVBQVIALRGFHF-AEFFLSMTSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000648010617 436179116 /nfs/dbraw/zinc/17/91/16/436179116.db2.gz LFVBQVIALRGFHF-AEFFLSMTSA-N 2 2 312.461 3.095 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000651397263 436187083 /nfs/dbraw/zinc/18/70/83/436187083.db2.gz CEZYBZAEVPGOSJ-IRXDYDNUSA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000651397263 436187086 /nfs/dbraw/zinc/18/70/86/436187086.db2.gz CEZYBZAEVPGOSJ-IRXDYDNUSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)n1cc[nH+]c1CNc1cccc(OCC[NH+](C)C)c1 ZINC000657403923 436182521 /nfs/dbraw/zinc/18/25/21/436182521.db2.gz MFWYJKOEHDZGBV-UHFFFAOYSA-N 2 2 302.422 3.017 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657523040 436234520 /nfs/dbraw/zinc/23/45/20/436234520.db2.gz CSUZMGDZBDEGAB-QGZVFWFLSA-N 2 2 312.461 3.348 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657523040 436234522 /nfs/dbraw/zinc/23/45/22/436234522.db2.gz CSUZMGDZBDEGAB-QGZVFWFLSA-N 2 2 312.461 3.348 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000657536759 436239010 /nfs/dbraw/zinc/23/90/10/436239010.db2.gz ZJSFMUSTPNTHTJ-FUHIMQAGSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000657536759 436239011 /nfs/dbraw/zinc/23/90/11/436239011.db2.gz ZJSFMUSTPNTHTJ-FUHIMQAGSA-N 2 2 309.457 3.295 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000657414713 436188215 /nfs/dbraw/zinc/18/82/15/436188215.db2.gz VWWVFKMXTSWULC-KRWDZBQOSA-N 2 2 309.417 3.063 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657434733 436200320 /nfs/dbraw/zinc/20/03/20/436200320.db2.gz CGQKJEOAAYHKHU-OAHLLOKOSA-N 2 2 311.429 3.048 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](CCO)c2ccccc2F)c[nH+]1 ZINC000648068168 436200722 /nfs/dbraw/zinc/20/07/22/436200722.db2.gz HDTVPZLVSHEDIF-SFHVURJKSA-N 2 2 302.393 3.175 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](C(C)C)C3(CO)CC=CC3)c[nH+]c12 ZINC000648069817 436203168 /nfs/dbraw/zinc/20/31/68/436203168.db2.gz OMFGFMKYGTVNFB-KRWDZBQOSA-N 2 2 313.445 3.086 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1OC ZINC000657466344 436215262 /nfs/dbraw/zinc/21/52/62/436215262.db2.gz GZQSXLADSZGUNX-ZDUSSCGKSA-N 2 2 315.417 3.006 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NCc3c[nH+]c4n3CCC4)cc2)c1C ZINC000657473034 436215928 /nfs/dbraw/zinc/21/59/28/436215928.db2.gz URYJFHCDOZMAQH-UHFFFAOYSA-N 2 2 307.401 3.244 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590458 436218725 /nfs/dbraw/zinc/21/87/25/436218725.db2.gz CHMYLYGFAAIOML-ZFWWWQNUSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590458 436218729 /nfs/dbraw/zinc/21/87/29/436218729.db2.gz CHMYLYGFAAIOML-ZFWWWQNUSA-N 2 2 323.400 3.021 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159329 436289282 /nfs/dbraw/zinc/28/92/82/436289282.db2.gz YCOMBMJDSHIUKB-ROUUACIJSA-N 2 2 322.880 3.322 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159329 436289286 /nfs/dbraw/zinc/28/92/86/436289286.db2.gz YCOMBMJDSHIUKB-ROUUACIJSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000657737178 436291187 /nfs/dbraw/zinc/29/11/87/436291187.db2.gz IOSKCPVOKOKHGR-VNQPRFMTSA-N 2 2 308.416 3.388 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000657737178 436291190 /nfs/dbraw/zinc/29/11/90/436291190.db2.gz IOSKCPVOKOKHGR-VNQPRFMTSA-N 2 2 308.416 3.388 20 0 DGADLP Clc1ccc(-c2nc(C[NH2+]C[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000666845002 436292311 /nfs/dbraw/zinc/29/23/11/436292311.db2.gz VFEULKMBXGGAIZ-NSHDSACASA-N 2 2 307.850 3.163 20 0 DGADLP C[C@@]1(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CCC[NH2+]C1 ZINC000666843180 436292882 /nfs/dbraw/zinc/29/28/82/436292882.db2.gz QPMKASDARUOWRI-OAHLLOKOSA-N 2 2 318.795 3.421 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1(CO)CC1 ZINC000657608599 436259522 /nfs/dbraw/zinc/25/95/22/436259522.db2.gz VWFIKRJHLPLQOH-AWEZNQCLSA-N 2 2 322.880 3.055 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657630963 436264868 /nfs/dbraw/zinc/26/48/68/436264868.db2.gz SLDCNNSPQKLJPD-NJAFHUGGSA-N 2 2 300.446 3.123 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657630963 436264872 /nfs/dbraw/zinc/26/48/72/436264872.db2.gz SLDCNNSPQKLJPD-NJAFHUGGSA-N 2 2 300.446 3.123 20 0 DGADLP COCc1csc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000657660001 436270417 /nfs/dbraw/zinc/27/04/17/436270417.db2.gz ZEZZHJFRCJLIRW-UHFFFAOYSA-N 2 2 301.415 3.140 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666753595 436276469 /nfs/dbraw/zinc/27/64/69/436276469.db2.gz AOJGOVVVFWTPRN-UHFFFAOYSA-N 2 2 320.868 3.192 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666758757 436277116 /nfs/dbraw/zinc/27/71/16/436277116.db2.gz YRDSDSSKBNJDMM-MRXNPFEDSA-N 2 2 320.868 3.192 20 0 DGADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000666769253 436277431 /nfs/dbraw/zinc/27/74/31/436277431.db2.gz WYTMVRRFOWKAJQ-NSHDSACASA-N 2 2 304.768 3.173 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC ZINC000666768485 436277558 /nfs/dbraw/zinc/27/75/58/436277558.db2.gz GVQUEUBMCUZJJJ-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP Clc1ccc(CN2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666769684 436279497 /nfs/dbraw/zinc/27/94/97/436279497.db2.gz BLKFLTCBMOUIBJ-GOSISDBHSA-N 2 2 321.896 3.036 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000666769695 436279776 /nfs/dbraw/zinc/27/97/76/436279776.db2.gz CCPGAXCVOGKALT-ZIAGYGMSSA-N 2 2 323.868 3.097 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnc3ccccn23)cc1 ZINC000666785640 436281372 /nfs/dbraw/zinc/28/13/72/436281372.db2.gz PICQAAQTYVVPQD-GOSISDBHSA-N 2 2 308.429 3.247 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657699122 436282798 /nfs/dbraw/zinc/28/27/98/436282798.db2.gz AEANUPZPPHOWMN-RBUKOAKNSA-N 2 2 316.489 3.038 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657699122 436282802 /nfs/dbraw/zinc/28/28/02/436282802.db2.gz AEANUPZPPHOWMN-RBUKOAKNSA-N 2 2 316.489 3.038 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653910162 436297536 /nfs/dbraw/zinc/29/75/36/436297536.db2.gz UTADVCUBYAYCFV-ROUUACIJSA-N 2 2 313.445 3.422 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653910162 436297540 /nfs/dbraw/zinc/29/75/40/436297540.db2.gz UTADVCUBYAYCFV-ROUUACIJSA-N 2 2 313.445 3.422 20 0 DGADLP CCOC1CCC([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000657941001 436344938 /nfs/dbraw/zinc/34/49/38/436344938.db2.gz QBSILVXTTMPXTP-IPJUCJBFSA-N 2 2 304.478 3.444 20 0 DGADLP CCOC1CCC([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000657941001 436344943 /nfs/dbraw/zinc/34/49/43/436344943.db2.gz QBSILVXTTMPXTP-IPJUCJBFSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@]1(C[NH2+][C@H]2COC3(CCC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000657980922 436350141 /nfs/dbraw/zinc/35/01/41/436350141.db2.gz QEDLMSNHXIVNQY-RTBURBONSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@]1(C[NH2+][C@H]2COC3(CCC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000657980922 436350145 /nfs/dbraw/zinc/35/01/45/436350145.db2.gz QEDLMSNHXIVNQY-RTBURBONSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2COC3(CCC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000657980899 436351073 /nfs/dbraw/zinc/35/10/73/436351073.db2.gz QEDLMSNHXIVNQY-MOPGFXCFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2COC3(CCC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000657980899 436351077 /nfs/dbraw/zinc/35/10/77/436351077.db2.gz QEDLMSNHXIVNQY-MOPGFXCFSA-N 2 2 314.473 3.342 20 0 DGADLP CO[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000657766006 436299273 /nfs/dbraw/zinc/29/92/73/436299273.db2.gz GEAYVEIWINZLHH-INIZCTEOSA-N 2 2 305.447 3.229 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657787033 436305146 /nfs/dbraw/zinc/30/51/46/436305146.db2.gz ZNXSJAXPNFPZKD-ZWKOTPCHSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657787033 436305150 /nfs/dbraw/zinc/30/51/50/436305150.db2.gz ZNXSJAXPNFPZKD-ZWKOTPCHSA-N 2 2 316.489 3.444 20 0 DGADLP CCC[N@H+](C)CC(C)(C)NCc1[nH+]ccn1Cc1ccccc1 ZINC000657791922 436306509 /nfs/dbraw/zinc/30/65/09/436306509.db2.gz BYOOYUINNSFTOQ-UHFFFAOYSA-N 2 2 314.477 3.141 20 0 DGADLP CCC[N@@H+](C)CC(C)(C)NCc1[nH+]ccn1Cc1ccccc1 ZINC000657791922 436306513 /nfs/dbraw/zinc/30/65/13/436306513.db2.gz BYOOYUINNSFTOQ-UHFFFAOYSA-N 2 2 314.477 3.141 20 0 DGADLP C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662253359 436312426 /nfs/dbraw/zinc/31/24/26/436312426.db2.gz SYIWXZZVHYMPOL-WBVHZDCISA-N 2 2 316.470 3.300 20 0 DGADLP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662253359 436312432 /nfs/dbraw/zinc/31/24/32/436312432.db2.gz SYIWXZZVHYMPOL-WBVHZDCISA-N 2 2 316.470 3.300 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)cc2)c[nH+]1 ZINC000657811450 436314256 /nfs/dbraw/zinc/31/42/56/436314256.db2.gz CAAMFYHRPAMXST-UHFFFAOYSA-N 3 2 324.472 3.084 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCCn2nccc21)[N@@H+]1CCc2ccccc2C1 ZINC000657826419 436319697 /nfs/dbraw/zinc/31/96/97/436319697.db2.gz GOGKJBKEDUCXLE-MOPGFXCFSA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCCn2nccc21)[N@H+]1CCc2ccccc2C1 ZINC000657826419 436319698 /nfs/dbraw/zinc/31/96/98/436319698.db2.gz GOGKJBKEDUCXLE-MOPGFXCFSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2cnccc2o1 ZINC000657832750 436320932 /nfs/dbraw/zinc/32/09/32/436320932.db2.gz AMNLDOIEWROLKI-ZDUSSCGKSA-N 2 2 310.401 3.254 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)C1 ZINC000666995083 436322154 /nfs/dbraw/zinc/32/21/54/436322154.db2.gz CZIOFFJFGLTUIX-BHIYHBOVSA-N 3 2 319.537 3.294 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1OC ZINC000666998452 436322410 /nfs/dbraw/zinc/32/24/10/436322410.db2.gz UVSYUGXAEHMOEA-ZDUSSCGKSA-N 2 2 324.852 3.122 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999448 436322808 /nfs/dbraw/zinc/32/28/08/436322808.db2.gz JFHFLYJAFDPSBT-OAHLLOKOSA-N 2 2 317.452 3.190 20 0 DGADLP CCOC1CCC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000657849719 436324762 /nfs/dbraw/zinc/32/47/62/436324762.db2.gz JYYUFSLIJXNZGE-UHFFFAOYSA-N 2 2 301.434 3.433 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCCn3nccc32)[NH+]2CCCC2)cc1 ZINC000657860482 436328679 /nfs/dbraw/zinc/32/86/79/436328679.db2.gz ICHNSALHSVQKHM-UYAOXDASSA-N 2 2 324.472 3.453 20 0 DGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657867622 436330474 /nfs/dbraw/zinc/33/04/74/436330474.db2.gz IFESLLPTAHLECD-HIFRSBDPSA-N 2 2 319.474 3.058 20 0 DGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657867622 436330478 /nfs/dbraw/zinc/33/04/78/436330478.db2.gz IFESLLPTAHLECD-HIFRSBDPSA-N 2 2 319.474 3.058 20 0 DGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323904 436331193 /nfs/dbraw/zinc/33/11/93/436331193.db2.gz UFMNCIJKLLXYNZ-DZGCQCFKSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323904 436331197 /nfs/dbraw/zinc/33/11/97/436331197.db2.gz UFMNCIJKLLXYNZ-DZGCQCFKSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657882601 436331642 /nfs/dbraw/zinc/33/16/42/436331642.db2.gz TUNQZYRNCFQEKJ-NVXWUHKLSA-N 2 2 302.462 3.417 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872103 436332156 /nfs/dbraw/zinc/33/21/56/436332156.db2.gz NBDIKSYYRFJQME-ZBFHGGJFSA-N 2 2 308.416 3.499 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872103 436332161 /nfs/dbraw/zinc/33/21/61/436332161.db2.gz NBDIKSYYRFJQME-ZBFHGGJFSA-N 2 2 308.416 3.499 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C(C)(C)C(F)F ZINC000657891530 436335465 /nfs/dbraw/zinc/33/54/65/436335465.db2.gz UNBAVLPUHDSHRU-CYBMUJFWSA-N 2 2 310.432 3.355 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCn2nccc21 ZINC000657900949 436337019 /nfs/dbraw/zinc/33/70/19/436337019.db2.gz OAZIPEOYTBMUFV-BHIYHBOVSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCn2nccc21 ZINC000657900949 436337021 /nfs/dbraw/zinc/33/70/21/436337021.db2.gz OAZIPEOYTBMUFV-BHIYHBOVSA-N 2 2 324.472 3.218 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(OC)c1 ZINC000658057980 436361278 /nfs/dbraw/zinc/36/12/78/436361278.db2.gz QOYXSBRCQCOMRQ-KBPBESRZSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(OC)c1 ZINC000658057980 436361281 /nfs/dbraw/zinc/36/12/81/436361281.db2.gz QOYXSBRCQCOMRQ-KBPBESRZSA-N 2 2 306.450 3.227 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059206 436361397 /nfs/dbraw/zinc/36/13/97/436361397.db2.gz VZSOEZAHDGYBFK-HOTGVXAUSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059206 436361400 /nfs/dbraw/zinc/36/14/00/436361400.db2.gz VZSOEZAHDGYBFK-HOTGVXAUSA-N 2 2 318.461 3.371 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658058343 436361493 /nfs/dbraw/zinc/36/14/93/436361493.db2.gz RWPRKRRWMDBBHX-GUYCJALGSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658058343 436361494 /nfs/dbraw/zinc/36/14/94/436361494.db2.gz RWPRKRRWMDBBHX-GUYCJALGSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658058050 436362306 /nfs/dbraw/zinc/36/23/06/436362306.db2.gz RQGVUFVFYKRVDM-DYVFJYSZSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658058050 436362311 /nfs/dbraw/zinc/36/23/11/436362311.db2.gz RQGVUFVFYKRVDM-DYVFJYSZSA-N 2 2 303.450 3.168 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658060154 436363020 /nfs/dbraw/zinc/36/30/20/436363020.db2.gz JVQLBITVAIZMES-ZBFHGGJFSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658060154 436363021 /nfs/dbraw/zinc/36/30/21/436363021.db2.gz JVQLBITVAIZMES-ZBFHGGJFSA-N 2 2 318.461 3.154 20 0 DGADLP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)n1 ZINC000658090366 436371773 /nfs/dbraw/zinc/37/17/73/436371773.db2.gz GQYOTUDRQJNADB-YMAMQOFZSA-N 2 2 320.481 3.121 20 0 DGADLP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C(C)(C)C)C3)CC2)n1 ZINC000658090366 436371774 /nfs/dbraw/zinc/37/17/74/436371774.db2.gz GQYOTUDRQJNADB-YMAMQOFZSA-N 2 2 320.481 3.121 20 0 DGADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000662706352 436380057 /nfs/dbraw/zinc/38/00/57/436380057.db2.gz BDSOZNHWZJOADA-AWEZNQCLSA-N 2 2 319.792 3.464 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658124229 436382360 /nfs/dbraw/zinc/38/23/60/436382360.db2.gz FIUNQRKPGKMPSU-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000658164784 436392427 /nfs/dbraw/zinc/39/24/27/436392427.db2.gz HBIVVUSMGOTTHL-HRAATJIYSA-N 2 2 321.468 3.364 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1C ZINC000658178115 436395568 /nfs/dbraw/zinc/39/55/68/436395568.db2.gz ZFXNKKLJOLHLFI-UHFFFAOYSA-N 2 2 323.484 3.495 20 0 DGADLP CC[NH+](CC)[C@H](CNc1cc(CO)cc(C)[nH+]1)c1ccccc1 ZINC000663332363 436440158 /nfs/dbraw/zinc/44/01/58/436440158.db2.gz WEQFDZXJHGFSNT-GOSISDBHSA-N 2 2 313.445 3.377 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NCCc1cn2c([nH+]1)CCCC2 ZINC000663382534 436450078 /nfs/dbraw/zinc/45/00/78/436450078.db2.gz PMOYTWODBRLRMW-UHFFFAOYSA-N 2 2 307.401 3.004 20 0 DGADLP c1ccc(Nc2cc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000663398366 436454254 /nfs/dbraw/zinc/45/42/54/436454254.db2.gz UKKAEBGUFKNRTP-HZPDHXFCSA-N 2 2 309.417 3.259 20 0 DGADLP c1ccc(Nc2cc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000663398366 436454257 /nfs/dbraw/zinc/45/42/57/436454257.db2.gz UKKAEBGUFKNRTP-HZPDHXFCSA-N 2 2 309.417 3.259 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284982 436416942 /nfs/dbraw/zinc/41/69/42/436416942.db2.gz JELASBFSZPNEND-UXLLHSPISA-N 2 2 320.477 3.270 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284982 436416944 /nfs/dbraw/zinc/41/69/44/436416944.db2.gz JELASBFSZPNEND-UXLLHSPISA-N 2 2 320.477 3.270 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000658292223 436421066 /nfs/dbraw/zinc/42/10/66/436421066.db2.gz RSTIMWCYVTWHCT-UKRRQHHQSA-N 2 2 308.491 3.214 20 0 DGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658293474 436421087 /nfs/dbraw/zinc/42/10/87/436421087.db2.gz AOUGOYUWIWMKNJ-RTBURBONSA-N 2 2 314.473 3.134 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663474395 436468896 /nfs/dbraw/zinc/46/88/96/436468896.db2.gz OBQMYTLXONDBIE-UHFFFAOYSA-N 2 2 315.383 3.453 20 0 DGADLP CC(C)[NH2+][C@H]1CCCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000663487001 436469406 /nfs/dbraw/zinc/46/94/06/436469406.db2.gz AURPDFJLWPTELL-INIZCTEOSA-N 2 2 311.433 3.187 20 0 DGADLP Fc1cccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)s2)c1 ZINC000663502850 436472497 /nfs/dbraw/zinc/47/24/97/436472497.db2.gz YCZDDNOFGGKUJU-UHFFFAOYSA-N 2 2 302.418 3.396 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000663514936 436473436 /nfs/dbraw/zinc/47/34/36/436473436.db2.gz WXIRURXOFGRSHH-NADMHLTPSA-N 2 2 310.441 3.476 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N(C)CC2CC[NH+](C)CC2)[nH+]1 ZINC000663541585 436476660 /nfs/dbraw/zinc/47/66/60/436476660.db2.gz CFHCBFNIEJKETK-UHFFFAOYSA-N 2 2 301.356 3.187 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c2c([nH+]1)CCCC2 ZINC000664138259 436564439 /nfs/dbraw/zinc/56/44/39/436564439.db2.gz NBKZGMNYZBCNCR-AWEZNQCLSA-N 2 2 302.466 3.196 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c2c([nH+]1)CCCC2 ZINC000664138259 436564443 /nfs/dbraw/zinc/56/44/43/436564443.db2.gz NBKZGMNYZBCNCR-AWEZNQCLSA-N 2 2 302.466 3.196 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655684375 436574714 /nfs/dbraw/zinc/57/47/14/436574714.db2.gz QJVPCVNVMABYNR-CXAGYDPISA-N 2 2 308.853 3.244 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000655684196 436574995 /nfs/dbraw/zinc/57/49/95/436574995.db2.gz ZQPCBHJRSYWQFM-YOEHRIQHSA-N 2 2 314.429 3.337 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)s1 ZINC000655692041 436575959 /nfs/dbraw/zinc/57/59/59/436575959.db2.gz COQQQDJAUKXPOY-BBRMVZONSA-N 2 2 308.491 3.269 20 0 DGADLP c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116110 436589606 /nfs/dbraw/zinc/58/96/06/436589606.db2.gz VLPRACRJCFJPNT-KSSFIOAISA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116110 436589610 /nfs/dbraw/zinc/58/96/10/436589610.db2.gz VLPRACRJCFJPNT-KSSFIOAISA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116110 436589613 /nfs/dbraw/zinc/58/96/13/436589613.db2.gz VLPRACRJCFJPNT-KSSFIOAISA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116110 436589617 /nfs/dbraw/zinc/58/96/17/436589617.db2.gz VLPRACRJCFJPNT-KSSFIOAISA-N 2 2 301.434 3.001 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1Cl ZINC000660128919 436593963 /nfs/dbraw/zinc/59/39/63/436593963.db2.gz OFBYBAYZPKMTLT-ZDUSSCGKSA-N 2 2 305.809 3.072 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3cnc4ccccc4n3)CC2)[nH+]c1 ZINC000660147511 436594488 /nfs/dbraw/zinc/59/44/88/436594488.db2.gz HOQJZRKCMKRFFU-UHFFFAOYSA-N 2 2 319.412 3.101 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000660256635 436615313 /nfs/dbraw/zinc/61/53/13/436615313.db2.gz MNVFQPUTKRCQDR-RDGPPVDQSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000660256635 436615316 /nfs/dbraw/zinc/61/53/16/436615316.db2.gz MNVFQPUTKRCQDR-RDGPPVDQSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256635 436615317 /nfs/dbraw/zinc/61/53/17/436615317.db2.gz MNVFQPUTKRCQDR-RDGPPVDQSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256635 436615319 /nfs/dbraw/zinc/61/53/19/436615319.db2.gz MNVFQPUTKRCQDR-RDGPPVDQSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660386712 436629731 /nfs/dbraw/zinc/62/97/31/436629731.db2.gz BQJCNNHUZRFHNZ-KLBVCGFUSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660386712 436629732 /nfs/dbraw/zinc/62/97/32/436629732.db2.gz BQJCNNHUZRFHNZ-KLBVCGFUSA-N 2 2 313.489 3.318 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422826340 533696604 /nfs/dbraw/zinc/69/66/04/533696604.db2.gz QSXKVJRKDTYAQL-RDTXWAMCSA-N 2 2 318.461 3.247 20 0 DGADLP COc1cccc([C@H]2C[N@H+](CCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528619756 313045400 /nfs/dbraw/zinc/04/54/00/313045400.db2.gz NERKYCUZIGPGDQ-GOSISDBHSA-N 2 2 313.445 3.097 20 0 DGADLP COc1cccc([C@H]2C[N@@H+](CCc3c[nH+]cn3C)CC2(C)C)c1 ZINC000528619756 313045401 /nfs/dbraw/zinc/04/54/01/313045401.db2.gz NERKYCUZIGPGDQ-GOSISDBHSA-N 2 2 313.445 3.097 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529530344 313217905 /nfs/dbraw/zinc/21/79/05/313217905.db2.gz DMQKJLXZWCBEOI-AWEZNQCLSA-N 2 2 319.399 3.497 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nc1 ZINC000529566684 313229472 /nfs/dbraw/zinc/22/94/72/313229472.db2.gz LQNHPCCBUCYAKA-MOPGFXCFSA-N 2 2 322.387 3.436 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1C ZINC000529664536 313249322 /nfs/dbraw/zinc/24/93/22/313249322.db2.gz QIUBPWHMXIRIBD-IBGZPJMESA-N 2 2 311.429 3.088 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)n1C ZINC000529664536 313249324 /nfs/dbraw/zinc/24/93/24/313249324.db2.gz QIUBPWHMXIRIBD-IBGZPJMESA-N 2 2 311.429 3.088 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000529663404 313249621 /nfs/dbraw/zinc/24/96/21/313249621.db2.gz LCQCKDZWXGDTQP-UHFFFAOYSA-N 2 2 314.429 3.120 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000529664619 313250458 /nfs/dbraw/zinc/25/04/58/313250458.db2.gz SXESXKXXCANLOR-UHFFFAOYSA-N 2 2 322.880 3.069 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)s2)cc1 ZINC000530179264 313334826 /nfs/dbraw/zinc/33/48/26/313334826.db2.gz RZFDSOVQTWTMNO-MRXNPFEDSA-N 2 2 313.470 3.493 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530243963 313347279 /nfs/dbraw/zinc/34/72/79/313347279.db2.gz JNEQZGQXYKYDPT-IBGZPJMESA-N 2 2 323.440 3.131 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000530492491 313376119 /nfs/dbraw/zinc/37/61/19/313376119.db2.gz WWCXDFMKQNUVOC-KBXCAEBGSA-N 2 2 302.462 3.349 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000530492491 313376123 /nfs/dbraw/zinc/37/61/23/313376123.db2.gz WWCXDFMKQNUVOC-KBXCAEBGSA-N 2 2 302.462 3.349 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000531191468 313439441 /nfs/dbraw/zinc/43/94/41/313439441.db2.gz XLVMKFPPWOBSAL-WMZOPIPTSA-N 2 2 314.477 3.325 20 0 DGADLP CC(C)=CCC[C@@H](C)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000543996740 314167427 /nfs/dbraw/zinc/16/74/27/314167427.db2.gz JWXPIQJKYISFAW-MRXNPFEDSA-N 2 2 302.466 3.380 20 0 DGADLP Oc1ccc(C2CCC([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000547664740 314384840 /nfs/dbraw/zinc/38/48/40/314384840.db2.gz WBLZMTTZMFBYSK-PREGVCBESA-N 2 2 311.429 3.220 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000556938209 314789584 /nfs/dbraw/zinc/78/95/84/314789584.db2.gz CCELWGZICKPQKD-QGZVFWFLSA-N 2 2 312.461 3.253 20 0 DGADLP c1ccc(OCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000560044810 314899882 /nfs/dbraw/zinc/89/98/82/314899882.db2.gz MZNSCRVFVQHKFJ-UHFFFAOYSA-N 2 2 311.429 3.427 20 0 DGADLP c1cn(-c2csc(C[NH2+]Cc3cnc(C4CC4)o3)c2)c[nH+]1 ZINC000560157095 314904317 /nfs/dbraw/zinc/90/43/17/314904317.db2.gz XRQNVLQLWKYLTL-UHFFFAOYSA-N 2 2 300.387 3.089 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2[nH+]1 ZINC000563091131 315077847 /nfs/dbraw/zinc/07/78/47/315077847.db2.gz VIGMCCRKRAGZRO-ZIAGYGMSSA-N 2 2 300.406 3.108 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000563339455 315103666 /nfs/dbraw/zinc/10/36/66/315103666.db2.gz UTQPVMZAVUPZQM-YWZLYKJASA-N 2 2 309.457 3.009 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349418 315104576 /nfs/dbraw/zinc/10/45/76/315104576.db2.gz IPQGPSVTDCKLOM-RISCZKNCSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349418 315104578 /nfs/dbraw/zinc/10/45/78/315104578.db2.gz IPQGPSVTDCKLOM-RISCZKNCSA-N 2 2 305.422 3.261 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000563438467 315115915 /nfs/dbraw/zinc/11/59/15/315115915.db2.gz DLHSHWWBXRODMI-ZDUSSCGKSA-N 2 2 314.433 3.003 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccc2ccccc2c1 ZINC000563700831 315132596 /nfs/dbraw/zinc/13/25/96/315132596.db2.gz KDMTUJBMFULMBY-RBUKOAKNSA-N 2 2 310.441 3.388 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000564129794 315158762 /nfs/dbraw/zinc/15/87/62/315158762.db2.gz SYTLCBIQYZIRIM-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324735 315169136 /nfs/dbraw/zinc/16/91/36/315169136.db2.gz HDULSEUMHLNKQV-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324735 315169138 /nfs/dbraw/zinc/16/91/38/315169138.db2.gz HDULSEUMHLNKQV-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324735 315169140 /nfs/dbraw/zinc/16/91/40/315169140.db2.gz HDULSEUMHLNKQV-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324735 315169143 /nfs/dbraw/zinc/16/91/43/315169143.db2.gz HDULSEUMHLNKQV-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000564481913 315179168 /nfs/dbraw/zinc/17/91/68/315179168.db2.gz YMEIPVRTYCZJIK-QRQLOZEOSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000564481913 315179170 /nfs/dbraw/zinc/17/91/70/315179170.db2.gz YMEIPVRTYCZJIK-QRQLOZEOSA-N 2 2 314.473 3.198 20 0 DGADLP CC1CCC(O)(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000564846930 315205066 /nfs/dbraw/zinc/20/50/66/315205066.db2.gz FYXMIPLOCIXPGL-HVEKOLDVSA-N 2 2 319.493 3.026 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000565159812 315235610 /nfs/dbraw/zinc/23/56/10/315235610.db2.gz AGRNMTIQWRHMCA-QGZVFWFLSA-N 2 2 305.372 3.063 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000565159812 315235612 /nfs/dbraw/zinc/23/56/12/315235612.db2.gz AGRNMTIQWRHMCA-QGZVFWFLSA-N 2 2 305.372 3.063 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565219421 315243649 /nfs/dbraw/zinc/24/36/49/315243649.db2.gz VNPCDHNEVGRPET-YJBOKZPZSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000565219421 315243651 /nfs/dbraw/zinc/24/36/51/315243651.db2.gz VNPCDHNEVGRPET-YJBOKZPZSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCOc2ccc(Cl)c(Cl)c2)n1C ZINC000565242452 315246608 /nfs/dbraw/zinc/24/66/08/315246608.db2.gz OCNXODGZSWUSIX-UHFFFAOYSA-N 2 2 314.216 3.204 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000565313798 315252414 /nfs/dbraw/zinc/25/24/14/315252414.db2.gz RVLVDFWERFYZCV-CQSZACIVSA-N 2 2 310.869 3.226 20 0 DGADLP [NH3+]C1(c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)CCCCC1 ZINC000566096629 315311751 /nfs/dbraw/zinc/31/17/51/315311751.db2.gz KCIMFWLSTRMHLT-UHFFFAOYSA-N 2 2 323.400 3.100 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566170924 315319750 /nfs/dbraw/zinc/31/97/50/315319750.db2.gz WCJOXJANHBYVQQ-AEFFLSMTSA-N 3 2 301.478 3.175 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029659 315391103 /nfs/dbraw/zinc/39/11/03/315391103.db2.gz GNAJPLLQGCQQFA-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029659 315391106 /nfs/dbraw/zinc/39/11/06/315391106.db2.gz GNAJPLLQGCQQFA-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029659 315391108 /nfs/dbraw/zinc/39/11/08/315391108.db2.gz GNAJPLLQGCQQFA-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029659 315391112 /nfs/dbraw/zinc/39/11/12/315391112.db2.gz GNAJPLLQGCQQFA-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP CC(C)c1nc(NCCCCn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000567670326 315439852 /nfs/dbraw/zinc/43/98/52/315439852.db2.gz XZYFGDFDLYHKGT-UHFFFAOYSA-N 2 2 315.465 3.408 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000573925276 315914909 /nfs/dbraw/zinc/91/49/09/315914909.db2.gz UIBZHNGYXWLQTJ-AWEZNQCLSA-N 2 2 322.880 3.228 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)n1C ZINC000574705360 315993396 /nfs/dbraw/zinc/99/33/96/315993396.db2.gz YDSZDLAAPGKHAS-MRXNPFEDSA-N 2 2 321.371 3.497 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000575988739 316083168 /nfs/dbraw/zinc/08/31/68/316083168.db2.gz XZWDNFRQTZHVOZ-ZWKOTPCHSA-N 2 2 318.509 3.361 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000575988739 316083171 /nfs/dbraw/zinc/08/31/71/316083171.db2.gz XZWDNFRQTZHVOZ-ZWKOTPCHSA-N 2 2 318.509 3.361 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@@]3([NH+](C)C)CCC[C@@H](C)C3)cn2c1 ZINC000576234685 316109072 /nfs/dbraw/zinc/10/90/72/316109072.db2.gz OIXROPRBDLXBPT-DNVCBOLYSA-N 2 2 314.477 3.243 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@]3([NH+](C)C)CCC[C@@H](C)C3)cn2c1 ZINC000576234684 316109119 /nfs/dbraw/zinc/10/91/19/316109119.db2.gz OIXROPRBDLXBPT-BEFAXECRSA-N 2 2 314.477 3.243 20 0 DGADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC[NH+](C)C ZINC000576896280 316180180 /nfs/dbraw/zinc/18/01/80/316180180.db2.gz HGMHJUXKHHDBSE-OAHLLOKOSA-N 2 2 313.283 3.312 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000576954110 316186871 /nfs/dbraw/zinc/18/68/71/316186871.db2.gz FTFYAFCBDHLZLB-KRWDZBQOSA-N 2 2 322.880 3.152 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995773 316190888 /nfs/dbraw/zinc/19/08/88/316190888.db2.gz AYFNVHQEOSPCJH-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995773 316190891 /nfs/dbraw/zinc/19/08/91/316190891.db2.gz AYFNVHQEOSPCJH-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995773 316190893 /nfs/dbraw/zinc/19/08/93/316190893.db2.gz AYFNVHQEOSPCJH-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995773 316190896 /nfs/dbraw/zinc/19/08/96/316190896.db2.gz AYFNVHQEOSPCJH-DZGCQCFKSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]CC3(SC)CC3)c(C)c2)CC1 ZINC000577561607 316247016 /nfs/dbraw/zinc/24/70/16/316247016.db2.gz XOJRSMSXZWRGGH-UHFFFAOYSA-N 2 2 319.518 3.444 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3COc4c(C)cccc4C3)c[nH+]c12 ZINC000577684206 316258986 /nfs/dbraw/zinc/25/89/86/316258986.db2.gz YSIJRTGNQLOVBY-MRXNPFEDSA-N 2 2 307.397 3.044 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692439 316259281 /nfs/dbraw/zinc/25/92/81/316259281.db2.gz OQCDEXJZAHJNJS-IBGZPJMESA-N 2 2 304.478 3.087 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692439 316259285 /nfs/dbraw/zinc/25/92/85/316259285.db2.gz OQCDEXJZAHJNJS-IBGZPJMESA-N 2 2 304.478 3.087 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692439 316259288 /nfs/dbraw/zinc/25/92/88/316259288.db2.gz OQCDEXJZAHJNJS-IBGZPJMESA-N 2 2 304.478 3.087 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692439 316259291 /nfs/dbraw/zinc/25/92/91/316259291.db2.gz OQCDEXJZAHJNJS-IBGZPJMESA-N 2 2 304.478 3.087 20 0 DGADLP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C(C)(C)C)n1 ZINC000180439705 323229366 /nfs/dbraw/zinc/22/93/66/323229366.db2.gz XXZQQPCWYWBKKV-MRXNPFEDSA-N 2 2 306.498 3.024 20 0 DGADLP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C(C)(C)C)n1 ZINC000180439705 323229368 /nfs/dbraw/zinc/22/93/68/323229368.db2.gz XXZQQPCWYWBKKV-MRXNPFEDSA-N 2 2 306.498 3.024 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C(C)(C)C)n1 ZINC000180439705 323229372 /nfs/dbraw/zinc/22/93/72/323229372.db2.gz XXZQQPCWYWBKKV-MRXNPFEDSA-N 2 2 306.498 3.024 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C(C)(C)C)n1 ZINC000180439705 323229375 /nfs/dbraw/zinc/22/93/75/323229375.db2.gz XXZQQPCWYWBKKV-MRXNPFEDSA-N 2 2 306.498 3.024 20 0 DGADLP c1cn2c(cccc2C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)[nH+]1 ZINC000180703823 323236756 /nfs/dbraw/zinc/23/67/56/323236756.db2.gz APRSAJAFFJFPIQ-IBGZPJMESA-N 2 2 321.424 3.168 20 0 DGADLP c1cn2c(cccc2C[N@H+](CCc2ccccc2)[C@H]2CCOC2)[nH+]1 ZINC000180703823 323236759 /nfs/dbraw/zinc/23/67/59/323236759.db2.gz APRSAJAFFJFPIQ-IBGZPJMESA-N 2 2 321.424 3.168 20 0 DGADLP Cc1ccc(OCCC[N@@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000181077109 323245223 /nfs/dbraw/zinc/24/52/23/323245223.db2.gz VMNQHPOBBCNYTI-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP Cc1ccc(OCCC[N@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000181077109 323245227 /nfs/dbraw/zinc/24/52/27/323245227.db2.gz VMNQHPOBBCNYTI-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000579409610 323863681 /nfs/dbraw/zinc/86/36/81/323863681.db2.gz ZKLXFGWYEJBOAT-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c[nH+]1 ZINC000579409610 323863685 /nfs/dbraw/zinc/86/36/85/323863685.db2.gz ZKLXFGWYEJBOAT-UHFFFAOYSA-N 3 2 320.440 3.357 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)c21 ZINC000579573586 323888549 /nfs/dbraw/zinc/88/85/49/323888549.db2.gz HIAPRVKJKVJVAZ-OAHLLOKOSA-N 2 2 321.428 3.080 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)ccc2n1C ZINC000580889929 324050233 /nfs/dbraw/zinc/05/02/33/324050233.db2.gz BUIMHIHDURNTMC-XIKOKIGWSA-N 2 2 322.412 3.156 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@@H](c1ccccc1)[NH+](C)C ZINC000581164606 324081669 /nfs/dbraw/zinc/08/16/69/324081669.db2.gz WELWOWVUNLPYSU-KUHUBIRLSA-N 2 2 306.413 3.155 20 0 DGADLP Cc1cc[nH+]cc1CCCNc1ccc(N2CCCCC2)c[nH+]1 ZINC000581277539 324098633 /nfs/dbraw/zinc/09/86/33/324098633.db2.gz LUHUDRXMEAGPQS-UHFFFAOYSA-N 2 2 310.445 3.242 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@@H](c4ccncc4)C3)n2c1 ZINC000581588501 324133334 /nfs/dbraw/zinc/13/33/34/324133334.db2.gz PGUHDYKCSTXBHD-FUHWJXTLSA-N 2 2 322.412 3.048 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892025 324165522 /nfs/dbraw/zinc/16/55/22/324165522.db2.gz WEEPUQNZTZNZMC-JQWIXIFHSA-N 2 2 320.330 3.078 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892025 324165524 /nfs/dbraw/zinc/16/55/24/324165524.db2.gz WEEPUQNZTZNZMC-JQWIXIFHSA-N 2 2 320.330 3.078 20 0 DGADLP CC(C)c1nc(C[NH2+]CCCNc2cccc[nH+]2)c2ccccn21 ZINC000582007666 324179024 /nfs/dbraw/zinc/17/90/24/324179024.db2.gz DQFJPNMXIHDOTQ-UHFFFAOYSA-N 2 2 323.444 3.445 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070742 324186819 /nfs/dbraw/zinc/18/68/19/324186819.db2.gz WLQQWFJWLRLSNG-NVXWUHKLSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070742 324186822 /nfs/dbraw/zinc/18/68/22/324186822.db2.gz WLQQWFJWLRLSNG-NVXWUHKLSA-N 2 2 323.440 3.104 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1CCCCC[NH2+]1 ZINC000582244218 324207540 /nfs/dbraw/zinc/20/75/40/324207540.db2.gz PYKPRUDKXWJIRJ-OAHLLOKOSA-N 2 2 312.417 3.301 20 0 DGADLP Cn1cc[nH+]c1CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000583024717 324303265 /nfs/dbraw/zinc/30/32/65/324303265.db2.gz HEQDFZYMFZUHGE-MRXNPFEDSA-N 2 2 301.459 3.318 20 0 DGADLP Cn1cc[nH+]c1CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000583024717 324303268 /nfs/dbraw/zinc/30/32/68/324303268.db2.gz HEQDFZYMFZUHGE-MRXNPFEDSA-N 2 2 301.459 3.318 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000583592143 324372885 /nfs/dbraw/zinc/37/28/85/324372885.db2.gz UNZGZXZRPYHZTC-UHFFFAOYSA-N 2 2 313.445 3.044 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000583592143 324372887 /nfs/dbraw/zinc/37/28/87/324372887.db2.gz UNZGZXZRPYHZTC-UHFFFAOYSA-N 2 2 313.445 3.044 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000583745277 324391897 /nfs/dbraw/zinc/39/18/97/324391897.db2.gz LVXFPNRZMPEUSR-GOSISDBHSA-N 2 2 301.434 3.082 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)n2)cc1 ZINC000584418317 337322784 /nfs/dbraw/zinc/32/27/84/337322784.db2.gz PETJFIPZGFNVDQ-XJKSGUPXSA-N 2 2 314.433 3.172 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)n2)cc1 ZINC000584418317 337322785 /nfs/dbraw/zinc/32/27/85/337322785.db2.gz PETJFIPZGFNVDQ-XJKSGUPXSA-N 2 2 314.433 3.172 20 0 DGADLP Brc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157579268 518228874 /nfs/dbraw/zinc/22/88/74/518228874.db2.gz BCLPKZKYASXVOQ-GHMZBOCLSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157579268 518228880 /nfs/dbraw/zinc/22/88/80/518228880.db2.gz BCLPKZKYASXVOQ-GHMZBOCLSA-N 2 2 315.280 3.227 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@H+](Cc2ccccc2)C1 ZINC000344684451 534111669 /nfs/dbraw/zinc/11/16/69/534111669.db2.gz YBVJFDNGFSLEGS-HKUYNNGSSA-N 2 2 318.505 3.285 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@@H+](Cc2ccccc2)C1 ZINC000344684451 534111674 /nfs/dbraw/zinc/11/16/74/534111674.db2.gz YBVJFDNGFSLEGS-HKUYNNGSSA-N 2 2 318.505 3.285 20 0 DGADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331799169 534135732 /nfs/dbraw/zinc/13/57/32/534135732.db2.gz LMKWLYVCDWJOLW-RYUDHWBXSA-N 2 2 303.410 3.031 20 0 DGADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331799169 534135736 /nfs/dbraw/zinc/13/57/36/534135736.db2.gz LMKWLYVCDWJOLW-RYUDHWBXSA-N 2 2 303.410 3.031 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)[C@@H]1C[NH3+] ZINC000430555046 534175862 /nfs/dbraw/zinc/17/58/62/534175862.db2.gz HQFWEUMWZJSJQZ-MAUKXSAKSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@@H]1C[NH3+] ZINC000430555046 534175863 /nfs/dbraw/zinc/17/58/63/534175863.db2.gz HQFWEUMWZJSJQZ-MAUKXSAKSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422760575 534204827 /nfs/dbraw/zinc/20/48/27/534204827.db2.gz QICCLNGGILJMKS-FXAWDEMLSA-N 2 2 324.468 3.175 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)o1 ZINC000430555116 534214513 /nfs/dbraw/zinc/21/45/13/534214513.db2.gz RONOQEUQQDXZQP-STQMWFEESA-N 2 2 305.447 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)o1 ZINC000430555116 534214518 /nfs/dbraw/zinc/21/45/18/534214518.db2.gz RONOQEUQQDXZQP-STQMWFEESA-N 2 2 305.447 3.271 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000156501104 519910960 /nfs/dbraw/zinc/91/09/60/519910960.db2.gz FWWRXNIPTLIKCQ-IHRRRGAJSA-N 2 2 303.410 3.034 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000156501104 519910964 /nfs/dbraw/zinc/91/09/64/519910964.db2.gz FWWRXNIPTLIKCQ-IHRRRGAJSA-N 2 2 303.410 3.034 20 0 DGADLP Cc1ccsc1C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435422158 534469563 /nfs/dbraw/zinc/46/95/63/534469563.db2.gz NBTYGCRUSRRRGE-CQSZACIVSA-N 2 2 321.515 3.433 20 0 DGADLP Cc1ccsc1C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435422158 534469577 /nfs/dbraw/zinc/46/95/77/534469577.db2.gz NBTYGCRUSRRRGE-CQSZACIVSA-N 2 2 321.515 3.433 20 0 DGADLP CC[N@H+](C)[C@@H](c1nc([C@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396279 520268802 /nfs/dbraw/zinc/26/88/02/520268802.db2.gz NFAXAAUECCKUGM-HUUCEWRRSA-N 2 2 302.422 3.157 20 0 DGADLP CC[N@@H+](C)[C@@H](c1nc([C@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396279 520268806 /nfs/dbraw/zinc/26/88/06/520268806.db2.gz NFAXAAUECCKUGM-HUUCEWRRSA-N 2 2 302.422 3.157 20 0 DGADLP Fc1ccc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)[nH]c2c1 ZINC000435051546 534507497 /nfs/dbraw/zinc/50/74/97/534507497.db2.gz PVHHECFDRMXWGD-QGZVFWFLSA-N 2 2 311.360 3.355 20 0 DGADLP Fc1ccc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)[nH]c2c1 ZINC000435051546 534507504 /nfs/dbraw/zinc/50/75/04/534507504.db2.gz PVHHECFDRMXWGD-QGZVFWFLSA-N 2 2 311.360 3.355 20 0 DGADLP [NH3+]C1CCC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000437798230 534559773 /nfs/dbraw/zinc/55/97/73/534559773.db2.gz JMNZMPJYWZHCOF-UHFFFAOYSA-N 3 2 321.896 3.164 20 0 DGADLP CN(C)c1ncccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154714088 522371429 /nfs/dbraw/zinc/37/14/29/522371429.db2.gz JAPVOYYTKWSXAG-UHFFFAOYSA-N 2 2 316.493 3.034 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430574148 534639665 /nfs/dbraw/zinc/63/96/65/534639665.db2.gz RUUGAANNHSIYIM-HZPDHXFCSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430574148 534639666 /nfs/dbraw/zinc/63/96/66/534639666.db2.gz RUUGAANNHSIYIM-HZPDHXFCSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)n1-c1ccccc1 ZINC000323475312 534741540 /nfs/dbraw/zinc/74/15/40/534741540.db2.gz MWWSSPQZBZLJPO-DLBZAZTESA-N 2 2 313.445 3.069 20 0 DGADLP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1OC ZINC000156700587 524004433 /nfs/dbraw/zinc/00/44/33/524004433.db2.gz NTMNPRYOMNLSHQ-ZDUSSCGKSA-N 2 2 314.857 3.162 20 0 DGADLP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1OC ZINC000156700587 524004436 /nfs/dbraw/zinc/00/44/36/524004436.db2.gz NTMNPRYOMNLSHQ-ZDUSSCGKSA-N 2 2 314.857 3.162 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156322310 524147046 /nfs/dbraw/zinc/14/70/46/524147046.db2.gz REGGVAMRVGFSFD-NJAFHUGGSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156322310 524147059 /nfs/dbraw/zinc/14/70/59/524147059.db2.gz REGGVAMRVGFSFD-NJAFHUGGSA-N 2 2 304.434 3.130 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000158233117 524448394 /nfs/dbraw/zinc/44/83/94/524448394.db2.gz AOXVTTKCMCTCPH-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000158233117 524448405 /nfs/dbraw/zinc/44/84/05/524448405.db2.gz AOXVTTKCMCTCPH-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000157402986 524544598 /nfs/dbraw/zinc/54/45/98/524544598.db2.gz SBOAZXKDAPRZOQ-INIZCTEOSA-N 2 2 313.445 3.250 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000157638212 524548678 /nfs/dbraw/zinc/54/86/78/524548678.db2.gz PQPSQWSJFJZXSV-ZACQAIPSSA-N 2 2 306.498 3.008 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000415054711 526697211 /nfs/dbraw/zinc/69/72/11/526697211.db2.gz MOSRGQMMXNMODZ-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)(C[NH2+]Cc1cnc(C(F)(F)F)s1)C[NH+]1CCCC1 ZINC000443998305 527173178 /nfs/dbraw/zinc/17/31/78/527173178.db2.gz OQWKAHBTBXORHG-UHFFFAOYSA-N 2 2 321.412 3.374 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000157626451 527309731 /nfs/dbraw/zinc/30/97/31/527309731.db2.gz JNPYBJFDAROHJZ-UVFQYZLESA-N 2 2 324.472 3.265 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000157626451 527309736 /nfs/dbraw/zinc/30/97/36/527309736.db2.gz JNPYBJFDAROHJZ-UVFQYZLESA-N 2 2 324.472 3.265 20 0 DGADLP CC(=O)c1ccccc1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173963025 527403088 /nfs/dbraw/zinc/40/30/88/527403088.db2.gz TXXSCMMZEDOXEH-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP CC(=O)c1ccccc1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173963025 527403093 /nfs/dbraw/zinc/40/30/93/527403093.db2.gz TXXSCMMZEDOXEH-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP CC(=O)c1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173963025 527403098 /nfs/dbraw/zinc/40/30/98/527403098.db2.gz TXXSCMMZEDOXEH-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP CC(=O)c1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173963025 527403105 /nfs/dbraw/zinc/40/31/05/527403105.db2.gz TXXSCMMZEDOXEH-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000430581457 527942511 /nfs/dbraw/zinc/94/25/11/527942511.db2.gz JCXHPTXFSACNDA-AWEZNQCLSA-N 2 2 304.356 3.091 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)cc1 ZINC000442758984 528054009 /nfs/dbraw/zinc/05/40/09/528054009.db2.gz CIZVKMNJPSOIQS-KGLIPLIRSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)cc1 ZINC000442758984 528054013 /nfs/dbraw/zinc/05/40/13/528054013.db2.gz CIZVKMNJPSOIQS-KGLIPLIRSA-N 2 2 314.433 3.029 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000152889752 528118203 /nfs/dbraw/zinc/11/82/03/528118203.db2.gz IONDXDCRYKHNHW-INIZCTEOSA-N 2 2 319.497 3.389 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000152889752 528118209 /nfs/dbraw/zinc/11/82/09/528118209.db2.gz IONDXDCRYKHNHW-INIZCTEOSA-N 2 2 319.497 3.389 20 0 DGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)C(=O)OCC ZINC000429724726 528131109 /nfs/dbraw/zinc/13/11/09/528131109.db2.gz QLUDMCAAIDPSBP-OAHLLOKOSA-N 2 2 315.417 3.036 20 0 DGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)C(=O)OCC ZINC000429724726 528131113 /nfs/dbraw/zinc/13/11/13/528131113.db2.gz QLUDMCAAIDPSBP-OAHLLOKOSA-N 2 2 315.417 3.036 20 0 DGADLP CC1=C[C@H](C)C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000430879325 528141576 /nfs/dbraw/zinc/14/15/76/528141576.db2.gz SBFFFRPIQMHWJZ-ZDUSSCGKSA-N 2 2 305.491 3.308 20 0 DGADLP CC1=C[C@H](C)C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000430879325 528141582 /nfs/dbraw/zinc/14/15/82/528141582.db2.gz SBFFFRPIQMHWJZ-ZDUSSCGKSA-N 2 2 305.491 3.308 20 0 DGADLP CC1=C[C@H](C)C[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430879325 528141585 /nfs/dbraw/zinc/14/15/85/528141585.db2.gz SBFFFRPIQMHWJZ-ZDUSSCGKSA-N 2 2 305.491 3.308 20 0 DGADLP CC1=C[C@H](C)C[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430879325 528141591 /nfs/dbraw/zinc/14/15/91/528141591.db2.gz SBFFFRPIQMHWJZ-ZDUSSCGKSA-N 2 2 305.491 3.308 20 0 DGADLP CCC[N@H+](Cc1nc(-c2cccc(C)c2)no1)C1CC[NH2+]CC1 ZINC000431083517 528152400 /nfs/dbraw/zinc/15/24/00/528152400.db2.gz MDOAQUBAAPBSFZ-UHFFFAOYSA-N 2 2 314.433 3.009 20 0 DGADLP CCC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)C1CC[NH2+]CC1 ZINC000431083517 528152407 /nfs/dbraw/zinc/15/24/07/528152407.db2.gz MDOAQUBAAPBSFZ-UHFFFAOYSA-N 2 2 314.433 3.009 20 0 DGADLP CC(C)c1cnc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000328642191 528216947 /nfs/dbraw/zinc/21/69/47/528216947.db2.gz QYLYQFIRORYLMV-OCCSQVGLSA-N 2 2 320.462 3.010 20 0 DGADLP CC(C)c1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000433770361 528292625 /nfs/dbraw/zinc/29/26/25/528292625.db2.gz DRPLWTMXJMRBQD-KBPBESRZSA-N 2 2 304.482 3.284 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000414828884 528329458 /nfs/dbraw/zinc/32/94/58/528329458.db2.gz LJILROQWGPNIIR-UHFFFAOYSA-N 2 2 320.440 3.238 20 0 DGADLP CCCNC(=O)C1([NH2+]CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000428276470 528334125 /nfs/dbraw/zinc/33/41/25/528334125.db2.gz CQUKJNUPLXDYAB-UHFFFAOYSA-N 2 2 317.477 3.141 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000431809055 528363900 /nfs/dbraw/zinc/36/39/00/528363900.db2.gz DMOUWUSKLJWGKD-SJLPKXTDSA-N 2 2 324.472 3.487 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000431809055 528363903 /nfs/dbraw/zinc/36/39/03/528363903.db2.gz DMOUWUSKLJWGKD-SJLPKXTDSA-N 2 2 324.472 3.487 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000422869667 528442721 /nfs/dbraw/zinc/44/27/21/528442721.db2.gz WQIZMIAKUJBNMT-HZSPNIEDSA-N 2 2 308.495 3.062 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415085001 528461743 /nfs/dbraw/zinc/46/17/43/528461743.db2.gz POSDKAPSHDTDIX-PMACEKPBSA-N 3 2 315.505 3.334 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000430570524 528508975 /nfs/dbraw/zinc/50/89/75/528508975.db2.gz YTMRLKABCDAAKU-KRWDZBQOSA-N 2 2 313.445 3.084 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000430570524 528508982 /nfs/dbraw/zinc/50/89/82/528508982.db2.gz YTMRLKABCDAAKU-KRWDZBQOSA-N 2 2 313.445 3.084 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000414853782 528518531 /nfs/dbraw/zinc/51/85/31/528518531.db2.gz TWKSOMBYENXTEX-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309774631 528569101 /nfs/dbraw/zinc/56/91/01/528569101.db2.gz BXFMAMCFNQIEOA-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309774631 528569106 /nfs/dbraw/zinc/56/91/06/528569106.db2.gz BXFMAMCFNQIEOA-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074657 528643880 /nfs/dbraw/zinc/64/38/80/528643880.db2.gz WUYDYTVVSSHGJL-HNNXBMFYSA-N 2 2 302.422 3.093 20 0 DGADLP CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074657 528643884 /nfs/dbraw/zinc/64/38/84/528643884.db2.gz WUYDYTVVSSHGJL-HNNXBMFYSA-N 2 2 302.422 3.093 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292709356 528664835 /nfs/dbraw/zinc/66/48/35/528664835.db2.gz DDDIBCUGJGCKQH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292709356 528664837 /nfs/dbraw/zinc/66/48/37/528664837.db2.gz DDDIBCUGJGCKQH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292709356 528664841 /nfs/dbraw/zinc/66/48/41/528664841.db2.gz DDDIBCUGJGCKQH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292709356 528664844 /nfs/dbraw/zinc/66/48/44/528664844.db2.gz DDDIBCUGJGCKQH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C)sc1C ZINC000429252033 528867130 /nfs/dbraw/zinc/86/71/30/528867130.db2.gz FKQUZCXEGMSNDU-UHFFFAOYSA-N 2 2 306.479 3.431 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C)sc1C ZINC000429252033 528867134 /nfs/dbraw/zinc/86/71/34/528867134.db2.gz FKQUZCXEGMSNDU-UHFFFAOYSA-N 2 2 306.479 3.431 20 0 DGADLP CC[N@H+](Cc1csc(-c2ccoc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435629259 528881456 /nfs/dbraw/zinc/88/14/56/528881456.db2.gz XIDOTDLTMSOQEQ-OAHLLOKOSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1csc(-c2ccoc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435629259 528881463 /nfs/dbraw/zinc/88/14/63/528881463.db2.gz XIDOTDLTMSOQEQ-OAHLLOKOSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435622709 528882589 /nfs/dbraw/zinc/88/25/89/528882589.db2.gz ADYPQJZVMGDTLL-MRXNPFEDSA-N 2 2 314.433 3.009 20 0 DGADLP CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435622709 528882591 /nfs/dbraw/zinc/88/25/91/528882591.db2.gz ADYPQJZVMGDTLL-MRXNPFEDSA-N 2 2 314.433 3.009 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000433332013 528885479 /nfs/dbraw/zinc/88/54/79/528885479.db2.gz RDAGJXPKFKSFEG-UHFFFAOYSA-N 2 2 304.438 3.268 20 0 DGADLP CC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302136330 529301087 /nfs/dbraw/zinc/30/10/87/529301087.db2.gz BGGHOWMCFWAPSB-SFHVURJKSA-N 2 2 310.445 3.194 20 0 DGADLP CC[C@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000302136330 529301089 /nfs/dbraw/zinc/30/10/89/529301089.db2.gz BGGHOWMCFWAPSB-SFHVURJKSA-N 2 2 310.445 3.194 20 0 DGADLP CCCc1csc(C[NH2+]CCc2cn3ccccc3[nH+]2)n1 ZINC000494327870 535451434 /nfs/dbraw/zinc/45/14/34/535451434.db2.gz JXMQOTVAUIYVTJ-UHFFFAOYSA-N 2 2 300.431 3.076 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000450751819 535593901 /nfs/dbraw/zinc/59/39/01/535593901.db2.gz FFRYVQAZXQDBPI-HUUCEWRRSA-N 2 2 322.522 3.406 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CCC1 ZINC000449203599 535809860 /nfs/dbraw/zinc/80/98/60/535809860.db2.gz HKZLAHGVTQKESU-IAGOWNOFSA-N 2 2 302.466 3.213 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCc3ccccc3CC2)s1 ZINC000449556383 536055936 /nfs/dbraw/zinc/05/59/36/536055936.db2.gz LWBBJUKBDQNLIK-UHFFFAOYSA-N 2 2 315.486 3.196 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCc3ccccc3CC2)s1 ZINC000449556383 536055938 /nfs/dbraw/zinc/05/59/38/536055938.db2.gz LWBBJUKBDQNLIK-UHFFFAOYSA-N 2 2 315.486 3.196 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2F)[C@H]1c1cccs1 ZINC000449160010 536364184 /nfs/dbraw/zinc/36/41/84/536364184.db2.gz KFTTZFMLYXVGGL-YOEHRIQHSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2F)[C@H]1c1cccs1 ZINC000449160010 536364188 /nfs/dbraw/zinc/36/41/88/536364188.db2.gz KFTTZFMLYXVGGL-YOEHRIQHSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2F)[C@@H]1c1cccs1 ZINC000449160008 536386752 /nfs/dbraw/zinc/38/67/52/536386752.db2.gz KFTTZFMLYXVGGL-RHSMWYFYSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2F)[C@@H]1c1cccs1 ZINC000449160008 536386755 /nfs/dbraw/zinc/38/67/55/536386755.db2.gz KFTTZFMLYXVGGL-RHSMWYFYSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2F)[C@H]1c1cccs1 ZINC000449160007 536386899 /nfs/dbraw/zinc/38/68/99/536386899.db2.gz KFTTZFMLYXVGGL-PBHICJAKSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2F)[C@H]1c1cccs1 ZINC000449160007 536386902 /nfs/dbraw/zinc/38/69/02/536386902.db2.gz KFTTZFMLYXVGGL-PBHICJAKSA-N 2 2 319.449 3.455 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)c1 ZINC000449618875 536910343 /nfs/dbraw/zinc/91/03/43/536910343.db2.gz MGJZCAVOKJSLTC-NVQRDWNXSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)c1 ZINC000449618875 536910349 /nfs/dbraw/zinc/91/03/49/536910349.db2.gz MGJZCAVOKJSLTC-NVQRDWNXSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC000495258914 536947535 /nfs/dbraw/zinc/94/75/35/536947535.db2.gz HEQVNGCPGURBLS-KRWDZBQOSA-N 2 2 302.462 3.018 20 0 DGADLP CC(C)[C@H](CCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187700 545824708 /nfs/dbraw/zinc/82/47/08/545824708.db2.gz NYERZWHRWLJVLJ-MSOLQXFVSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@H](CCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187700 545824710 /nfs/dbraw/zinc/82/47/10/545824710.db2.gz NYERZWHRWLJVLJ-MSOLQXFVSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)s1 ZINC000090418592 545826940 /nfs/dbraw/zinc/82/69/40/545826940.db2.gz UKGKRLRXDQVTKO-LBPRGKRZSA-N 2 2 300.431 3.301 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335459 545834443 /nfs/dbraw/zinc/83/44/43/545834443.db2.gz JJMNIDOUORQVGZ-IEBWSBKVSA-N 2 2 302.462 3.466 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335459 545834444 /nfs/dbraw/zinc/83/44/44/545834444.db2.gz JJMNIDOUORQVGZ-IEBWSBKVSA-N 2 2 302.462 3.466 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091889016 545842177 /nfs/dbraw/zinc/84/21/77/545842177.db2.gz HFIKEDFVUXCJFF-UHFFFAOYSA-N 2 2 317.408 3.012 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000134257122 545971684 /nfs/dbraw/zinc/97/16/84/545971684.db2.gz QAGUFGDJDBGKIE-WFASDCNBSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000134257122 545971688 /nfs/dbraw/zinc/97/16/88/545971688.db2.gz QAGUFGDJDBGKIE-WFASDCNBSA-N 2 2 311.267 3.064 20 0 DGADLP CC(C)(C)c1csc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000151269352 545992191 /nfs/dbraw/zinc/99/21/91/545992191.db2.gz CRLMQXNVDYJWAZ-UHFFFAOYSA-N 2 2 316.474 3.158 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157740014 546043770 /nfs/dbraw/zinc/04/37/70/546043770.db2.gz LYVPOHOYYYXIKL-IIDMSEBBSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157740014 546043774 /nfs/dbraw/zinc/04/37/74/546043774.db2.gz LYVPOHOYYYXIKL-IIDMSEBBSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157740285 546043989 /nfs/dbraw/zinc/04/39/89/546043989.db2.gz LYVPOHOYYYXIKL-RVKKMQEKSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157740285 546043995 /nfs/dbraw/zinc/04/39/95/546043995.db2.gz LYVPOHOYYYXIKL-RVKKMQEKSA-N 2 2 302.462 3.261 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)[NH+](C)C)cc1 ZINC000179960233 546140292 /nfs/dbraw/zinc/14/02/92/546140292.db2.gz KUIOHGHGQMEPKD-UGSOOPFHSA-N 2 2 300.450 3.234 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000180101093 546141830 /nfs/dbraw/zinc/14/18/30/546141830.db2.gz WKPWYFCXMTTZAZ-HNNXBMFYSA-N 2 2 312.461 3.076 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180727167 546148154 /nfs/dbraw/zinc/14/81/54/546148154.db2.gz KBTCKIIHEIYBEO-VKJFTORMSA-N 2 2 312.461 3.422 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180727167 546148158 /nfs/dbraw/zinc/14/81/58/546148158.db2.gz KBTCKIIHEIYBEO-VKJFTORMSA-N 2 2 312.461 3.422 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229092811 546271112 /nfs/dbraw/zinc/27/11/12/546271112.db2.gz WEPBCPFAFUYULQ-AAEUAGOBSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229092811 546271115 /nfs/dbraw/zinc/27/11/15/546271115.db2.gz WEPBCPFAFUYULQ-AAEUAGOBSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245560936 546297655 /nfs/dbraw/zinc/29/76/55/546297655.db2.gz CALZWBORXCSQPJ-KUHUBIRLSA-N 2 2 321.428 3.218 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245560936 546297658 /nfs/dbraw/zinc/29/76/58/546297658.db2.gz CALZWBORXCSQPJ-KUHUBIRLSA-N 2 2 321.428 3.218 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000251828246 546330209 /nfs/dbraw/zinc/33/02/09/546330209.db2.gz PTHHSVSUBHFKDC-BXUZGUMPSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@H+](Cc2sccc2Br)CC[C@H]1[NH3+] ZINC000251568039 546329976 /nfs/dbraw/zinc/32/99/76/546329976.db2.gz BTTODYAERTXVPN-GXSJLCMTSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2sccc2Br)CC[C@H]1[NH3+] ZINC000251568039 546329981 /nfs/dbraw/zinc/32/99/81/546329981.db2.gz BTTODYAERTXVPN-GXSJLCMTSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000251804912 546330096 /nfs/dbraw/zinc/33/00/96/546330096.db2.gz OHPFBOLOQLZJEV-WCQYABFASA-N 2 2 302.340 3.144 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000251804912 546330101 /nfs/dbraw/zinc/33/01/01/546330101.db2.gz OHPFBOLOQLZJEV-WCQYABFASA-N 2 2 302.340 3.144 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000251828248 546330122 /nfs/dbraw/zinc/33/01/22/546330122.db2.gz PTHHSVSUBHFKDC-SMDDNHRTSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000251828248 546330126 /nfs/dbraw/zinc/33/01/26/546330126.db2.gz PTHHSVSUBHFKDC-SMDDNHRTSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1[NH3+] ZINC000251828246 546330206 /nfs/dbraw/zinc/33/02/06/546330206.db2.gz PTHHSVSUBHFKDC-BXUZGUMPSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000251698408 546330217 /nfs/dbraw/zinc/33/02/17/546330217.db2.gz IUDJJFKNHURCMI-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000251698408 546330221 /nfs/dbraw/zinc/33/02/21/546330221.db2.gz IUDJJFKNHURCMI-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252718260 546331850 /nfs/dbraw/zinc/33/18/50/546331850.db2.gz DMSJNWVLTXPVCH-SMDDNHRTSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252718260 546331855 /nfs/dbraw/zinc/33/18/55/546331855.db2.gz DMSJNWVLTXPVCH-SMDDNHRTSA-N 2 2 304.331 3.404 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+]CCc1cc[nH+]cc1C)CC2 ZINC000279928414 546377356 /nfs/dbraw/zinc/37/73/56/546377356.db2.gz APFWDNAPHXTONU-QGZVFWFLSA-N 2 2 312.413 3.227 20 0 DGADLP C[C@H](C[NH2+]Cc1cscc1Br)C[NH+]1CCCC1 ZINC000302696779 546436486 /nfs/dbraw/zinc/43/64/86/546436486.db2.gz UXKUNWVSSOPBPB-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000309949220 546451855 /nfs/dbraw/zinc/45/18/55/546451855.db2.gz MEJOUPFAEHAHCX-QAPCUYQASA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2CCSCC2)C[N@H+]1Cc1ccccc1 ZINC000309949220 546451859 /nfs/dbraw/zinc/45/18/59/546451859.db2.gz MEJOUPFAEHAHCX-QAPCUYQASA-N 2 2 304.503 3.382 20 0 DGADLP COc1cc(F)cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)c1 ZINC000312388175 546453275 /nfs/dbraw/zinc/45/32/75/546453275.db2.gz WGODQPIRTKIQBP-UHFFFAOYSA-N 2 2 302.393 3.056 20 0 DGADLP COc1cc(F)cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)c1 ZINC000312388175 546453279 /nfs/dbraw/zinc/45/32/79/546453279.db2.gz WGODQPIRTKIQBP-UHFFFAOYSA-N 2 2 302.393 3.056 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000312546879 546453425 /nfs/dbraw/zinc/45/34/25/546453425.db2.gz STVGBKOMUMTFHV-UHFFFAOYSA-N 2 2 316.276 3.492 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000312546879 546453429 /nfs/dbraw/zinc/45/34/29/546453429.db2.gz STVGBKOMUMTFHV-UHFFFAOYSA-N 2 2 316.276 3.492 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000343471461 546563781 /nfs/dbraw/zinc/56/37/81/546563781.db2.gz PJTDUYXDDCRJSU-WXSAJPJJSA-N 2 2 316.493 3.114 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000343471461 546563782 /nfs/dbraw/zinc/56/37/82/546563782.db2.gz PJTDUYXDDCRJSU-WXSAJPJJSA-N 2 2 316.493 3.114 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@](C)(CO)Cc2ccccc2)c[nH+]1 ZINC000355136058 546677739 /nfs/dbraw/zinc/67/77/39/546677739.db2.gz PMRIQZKWXRJANS-FQEVSTJZSA-N 2 2 312.457 3.154 20 0 DGADLP CCC[NH+]1CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000378924159 546734908 /nfs/dbraw/zinc/73/49/08/546734908.db2.gz RHKFQHJBQCESGO-UHFFFAOYSA-N 2 2 302.466 3.358 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000381105867 546736930 /nfs/dbraw/zinc/73/69/30/546736930.db2.gz BAHKTNZFPYFUPO-CAMMJAKZSA-N 2 2 304.478 3.300 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000381105867 546736935 /nfs/dbraw/zinc/73/69/35/546736935.db2.gz BAHKTNZFPYFUPO-CAMMJAKZSA-N 2 2 304.478 3.300 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000387561982 546746614 /nfs/dbraw/zinc/74/66/14/546746614.db2.gz KRDQYPFJXNLJGE-LBPRGKRZSA-N 2 2 300.406 3.006 20 0 DGADLP CCC[NH2+]CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414866934 546788653 /nfs/dbraw/zinc/78/86/53/546788653.db2.gz HXTPNQSDJUYWKA-UHFFFAOYSA-N 2 2 322.250 3.087 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419703054 546805161 /nfs/dbraw/zinc/80/51/61/546805161.db2.gz CFVIXQIWDPDNNX-LBPRGKRZSA-N 2 2 304.463 3.059 20 0 DGADLP Cc1cc(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nc(C)[nH+]1 ZINC000436299212 546822676 /nfs/dbraw/zinc/82/26/76/546822676.db2.gz FBLVBBSLHKVTTK-AWEZNQCLSA-N 2 2 312.417 3.230 20 0 DGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453364306 546859665 /nfs/dbraw/zinc/85/96/65/546859665.db2.gz MYONIJAFHSSNBB-AEFFLSMTSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453364306 546859670 /nfs/dbraw/zinc/85/96/70/546859670.db2.gz MYONIJAFHSSNBB-AEFFLSMTSA-N 2 2 311.429 3.015 20 0 DGADLP C[N@@H+](Cc1cccc(OC2CC2)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC000667517979 547209472 /nfs/dbraw/zinc/20/94/72/547209472.db2.gz LLGLPYDPMLTILW-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP C[N@H+](Cc1cccc(OC2CC2)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC000667517979 547209475 /nfs/dbraw/zinc/20/94/75/547209475.db2.gz LLGLPYDPMLTILW-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP C[NH+](Cc1cccc(OC2CC2)c1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000667517979 547209478 /nfs/dbraw/zinc/20/94/78/547209478.db2.gz LLGLPYDPMLTILW-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP C[NH+](Cc1cccc(OC2CC2)c1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000667517979 547209482 /nfs/dbraw/zinc/20/94/82/547209482.db2.gz LLGLPYDPMLTILW-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP COC[C@H](C)Oc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000667570667 547231532 /nfs/dbraw/zinc/23/15/32/547231532.db2.gz DQZOOEURWHKVNC-INIZCTEOSA-N 2 2 320.477 3.063 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000667643080 547253977 /nfs/dbraw/zinc/25/39/77/547253977.db2.gz TVQJGXJCSBFITR-IBGZPJMESA-N 2 2 319.412 3.308 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000667643080 547253982 /nfs/dbraw/zinc/25/39/82/547253982.db2.gz TVQJGXJCSBFITR-IBGZPJMESA-N 2 2 319.412 3.308 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666622 547265477 /nfs/dbraw/zinc/26/54/77/547265477.db2.gz SLKSEJYSSFDEDW-RISCZKNCSA-N 2 2 300.368 3.266 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666622 547265482 /nfs/dbraw/zinc/26/54/82/547265482.db2.gz SLKSEJYSSFDEDW-RISCZKNCSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666622 547265483 /nfs/dbraw/zinc/26/54/83/547265483.db2.gz SLKSEJYSSFDEDW-RISCZKNCSA-N 2 2 300.368 3.266 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000667666622 547265490 /nfs/dbraw/zinc/26/54/90/547265490.db2.gz SLKSEJYSSFDEDW-RISCZKNCSA-N 2 2 300.368 3.266 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@@H+]1C ZINC000667667445 547267659 /nfs/dbraw/zinc/26/76/59/547267659.db2.gz NAUCSGGMMAADCZ-ZFWWWQNUSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667445 547267661 /nfs/dbraw/zinc/26/76/61/547267661.db2.gz NAUCSGGMMAADCZ-ZFWWWQNUSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667445 547267665 /nfs/dbraw/zinc/26/76/65/547267665.db2.gz NAUCSGGMMAADCZ-ZFWWWQNUSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667445 547267667 /nfs/dbraw/zinc/26/76/67/547267667.db2.gz NAUCSGGMMAADCZ-ZFWWWQNUSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000667779221 547299774 /nfs/dbraw/zinc/29/97/74/547299774.db2.gz AURZXERCAQEQCE-CVEARBPZSA-N 2 2 314.477 3.348 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000667821519 547312173 /nfs/dbraw/zinc/31/21/73/547312173.db2.gz GNXYYAJIHSNNDE-AABGKKOBSA-N 2 2 314.473 3.289 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000667947339 547343113 /nfs/dbraw/zinc/34/31/13/547343113.db2.gz NFCBYQJBWFOBQD-LPHOPBHVSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000667947339 547343118 /nfs/dbraw/zinc/34/31/18/547343118.db2.gz NFCBYQJBWFOBQD-LPHOPBHVSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C)c1 ZINC000667947339 547343122 /nfs/dbraw/zinc/34/31/22/547343122.db2.gz NFCBYQJBWFOBQD-LPHOPBHVSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1 ZINC000667947339 547343127 /nfs/dbraw/zinc/34/31/27/547343127.db2.gz NFCBYQJBWFOBQD-LPHOPBHVSA-N 2 2 302.462 3.310 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(OCc3ccccc3F)CC2)n1C ZINC000667951740 547344817 /nfs/dbraw/zinc/34/48/17/547344817.db2.gz JWRLZOVWWXUKRG-UHFFFAOYSA-N 2 2 317.408 3.049 20 0 DGADLP FC(F)(F)C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668067496 547374054 /nfs/dbraw/zinc/37/40/54/547374054.db2.gz OEOAFNMIVWXJGV-GFCCVEGCSA-N 2 2 310.323 3.042 20 0 DGADLP FC(F)(F)C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668067496 547374056 /nfs/dbraw/zinc/37/40/56/547374056.db2.gz OEOAFNMIVWXJGV-GFCCVEGCSA-N 2 2 310.323 3.042 20 0 DGADLP C[N@H+](Cc1cccc(OC2CC2)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668146829 547394365 /nfs/dbraw/zinc/39/43/65/547394365.db2.gz RMWKZOFGDLECMR-XYPWUTKMSA-N 2 2 318.436 3.424 20 0 DGADLP C[N@@H+](Cc1cccc(OC2CC2)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668146829 547394369 /nfs/dbraw/zinc/39/43/69/547394369.db2.gz RMWKZOFGDLECMR-XYPWUTKMSA-N 2 2 318.436 3.424 20 0 DGADLP C[NH+](Cc1cccc(OC2CC2)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000668146829 547394372 /nfs/dbraw/zinc/39/43/72/547394372.db2.gz RMWKZOFGDLECMR-XYPWUTKMSA-N 2 2 318.436 3.424 20 0 DGADLP C[NH+](Cc1cccc(OC2CC2)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000668146829 547394376 /nfs/dbraw/zinc/39/43/76/547394376.db2.gz RMWKZOFGDLECMR-XYPWUTKMSA-N 2 2 318.436 3.424 20 0 DGADLP Fc1ccc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000668231952 547423568 /nfs/dbraw/zinc/42/35/68/547423568.db2.gz VABWRIWUMIAQQK-UHFFFAOYSA-N 2 2 322.387 3.081 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000668459581 547459720 /nfs/dbraw/zinc/45/97/20/547459720.db2.gz WEGWTMYBUGEOFA-QGZVFWFLSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000668459581 547459723 /nfs/dbraw/zinc/45/97/23/547459723.db2.gz WEGWTMYBUGEOFA-QGZVFWFLSA-N 2 2 302.462 3.017 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000668458931 547459853 /nfs/dbraw/zinc/45/98/53/547459853.db2.gz MJCTYLCTQRVWIL-GOEBONIOSA-N 2 2 322.468 3.475 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1F ZINC000668458931 547459855 /nfs/dbraw/zinc/45/98/55/547459855.db2.gz MJCTYLCTQRVWIL-GOEBONIOSA-N 2 2 322.468 3.475 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)n1C ZINC000668522627 547472890 /nfs/dbraw/zinc/47/28/90/547472890.db2.gz BVHJVENHCZKWGI-UHFFFAOYSA-N 2 2 324.453 3.410 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)n1C ZINC000668522627 547472897 /nfs/dbraw/zinc/47/28/97/547472897.db2.gz BVHJVENHCZKWGI-UHFFFAOYSA-N 2 2 324.453 3.410 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668540024 547475075 /nfs/dbraw/zinc/47/50/75/547475075.db2.gz UFBAIKHQNDZPEJ-UHFFFAOYSA-N 2 2 310.441 3.356 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668540024 547475079 /nfs/dbraw/zinc/47/50/79/547475079.db2.gz UFBAIKHQNDZPEJ-UHFFFAOYSA-N 2 2 310.441 3.356 20 0 DGADLP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)CC1C[NH+](C)C1 ZINC000668539513 547475323 /nfs/dbraw/zinc/47/53/23/547475323.db2.gz YGYDPPGEEXPMCL-UHFFFAOYSA-N 2 2 315.392 3.006 20 0 DGADLP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)CC1C[NH+](C)C1 ZINC000668539513 547475324 /nfs/dbraw/zinc/47/53/24/547475324.db2.gz YGYDPPGEEXPMCL-UHFFFAOYSA-N 2 2 315.392 3.006 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)c[nH+]1 ZINC000668586894 547485750 /nfs/dbraw/zinc/48/57/50/547485750.db2.gz HECQMBKXSNYCCA-GOSISDBHSA-N 3 2 301.478 3.319 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)c[nH+]1 ZINC000668586894 547485754 /nfs/dbraw/zinc/48/57/54/547485754.db2.gz HECQMBKXSNYCCA-GOSISDBHSA-N 3 2 301.478 3.319 20 0 DGADLP COc1cccc([C@]2(C)CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668597792 547489414 /nfs/dbraw/zinc/48/94/14/547489414.db2.gz DQBXBMVPMJCITQ-LJQANCHMSA-N 2 2 311.429 3.002 20 0 DGADLP COc1cccc([C@]2(C)CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668597792 547489419 /nfs/dbraw/zinc/48/94/19/547489419.db2.gz DQBXBMVPMJCITQ-LJQANCHMSA-N 2 2 311.429 3.002 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683175 547508861 /nfs/dbraw/zinc/50/88/61/547508861.db2.gz SWCROTQGNBRKQB-ZBFHGGJFSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683175 547508865 /nfs/dbraw/zinc/50/88/65/547508865.db2.gz SWCROTQGNBRKQB-ZBFHGGJFSA-N 2 2 308.441 3.087 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CCO1 ZINC000668785873 547541414 /nfs/dbraw/zinc/54/14/14/547541414.db2.gz ZZPQVZNFPSWSCC-NJELEJDNSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CCO1 ZINC000668785873 547541417 /nfs/dbraw/zinc/54/14/17/547541417.db2.gz ZZPQVZNFPSWSCC-NJELEJDNSA-N 2 2 324.415 3.021 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000668793370 547543355 /nfs/dbraw/zinc/54/33/55/547543355.db2.gz YVWKCIZADYNISG-AZUAARDMSA-N 2 2 324.472 3.053 20 0 DGADLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccsc1 ZINC000669819010 547688535 /nfs/dbraw/zinc/68/85/35/547688535.db2.gz KOLOZEVKAOKRLL-LLVKDONJSA-N 2 2 322.397 3.445 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931602 547709221 /nfs/dbraw/zinc/70/92/21/547709221.db2.gz KEVKPWYMICGQFI-IAGOWNOFSA-N 2 2 310.869 3.490 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931602 547709223 /nfs/dbraw/zinc/70/92/23/547709223.db2.gz KEVKPWYMICGQFI-IAGOWNOFSA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986099 547768077 /nfs/dbraw/zinc/76/80/77/547768077.db2.gz QANCNXKUCLUXEX-GOEBONIOSA-N 2 2 324.415 3.213 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986099 547768079 /nfs/dbraw/zinc/76/80/79/547768079.db2.gz QANCNXKUCLUXEX-GOEBONIOSA-N 2 2 324.415 3.213 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671240655 547779205 /nfs/dbraw/zinc/77/92/05/547779205.db2.gz HFLIHJDILIBOBQ-ZBFHGGJFSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671240655 547779207 /nfs/dbraw/zinc/77/92/07/547779207.db2.gz HFLIHJDILIBOBQ-ZBFHGGJFSA-N 2 2 323.400 3.331 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000671297301 547784498 /nfs/dbraw/zinc/78/44/98/547784498.db2.gz KHYDNANSKQLBHW-FQEVSTJZSA-N 2 2 316.489 3.017 20 0 DGADLP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727068 547817239 /nfs/dbraw/zinc/81/72/39/547817239.db2.gz XYZDPQPMFKKOKT-BHIYHBOVSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727068 547817241 /nfs/dbraw/zinc/81/72/41/547817241.db2.gz XYZDPQPMFKKOKT-BHIYHBOVSA-N 2 2 316.489 3.302 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)Cc1cn2cccc(C)c2[nH+]1 ZINC000671725083 547817555 /nfs/dbraw/zinc/81/75/55/547817555.db2.gz HFPKNNARIZIUMY-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP CN(CCC[N@H+](C)Cc1ccco1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000672338373 547876704 /nfs/dbraw/zinc/87/67/04/547876704.db2.gz IQOIDEOTOVELSC-UHFFFAOYSA-N 2 2 316.449 3.325 20 0 DGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000672338373 547876707 /nfs/dbraw/zinc/87/67/07/547876707.db2.gz IQOIDEOTOVELSC-UHFFFAOYSA-N 2 2 316.449 3.325 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000673701452 547984391 /nfs/dbraw/zinc/98/43/91/547984391.db2.gz YBNWIGWCYXPRKO-MAUKXSAKSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000673701452 547984392 /nfs/dbraw/zinc/98/43/92/547984392.db2.gz YBNWIGWCYXPRKO-MAUKXSAKSA-N 2 2 320.440 3.316 20 0 DGADLP CCc1cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc[nH+]1 ZINC000673817300 547999742 /nfs/dbraw/zinc/99/97/42/547999742.db2.gz QJMGYOJKBPSJRY-OAHLLOKOSA-N 2 2 304.825 3.407 20 0 DGADLP C[NH+](C)CCOc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000674135234 548041676 /nfs/dbraw/zinc/04/16/76/548041676.db2.gz IXWOYIQHBLWMPC-UHFFFAOYSA-N 2 2 312.404 3.295 20 0 DGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cccc(Cl)c1 ZINC000674375777 548073136 /nfs/dbraw/zinc/07/31/36/548073136.db2.gz AVVAZLKCIILOCW-QGZVFWFLSA-N 2 2 310.869 3.492 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000675247488 548179196 /nfs/dbraw/zinc/17/91/96/548179196.db2.gz PAVYKZOEILMTHI-SFHVURJKSA-N 2 2 320.440 3.041 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000675247488 548179200 /nfs/dbraw/zinc/17/92/00/548179200.db2.gz PAVYKZOEILMTHI-SFHVURJKSA-N 2 2 320.440 3.041 20 0 DGADLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1CCOC1 ZINC000675917526 548291912 /nfs/dbraw/zinc/29/19/12/548291912.db2.gz CMVVDOOGMMYQQP-SQNIBIBYSA-N 2 2 313.445 3.109 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923092 548292865 /nfs/dbraw/zinc/29/28/65/548292865.db2.gz RNTVKFHMNJKSPF-MSOLQXFVSA-N 2 2 315.461 3.355 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077237 548318158 /nfs/dbraw/zinc/31/81/58/548318158.db2.gz MNMMJVWPOAVQIS-PWSUYJOCSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077237 548318160 /nfs/dbraw/zinc/31/81/60/548318160.db2.gz MNMMJVWPOAVQIS-PWSUYJOCSA-N 2 2 315.230 3.333 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2[nH+]1 ZINC000676688069 548394919 /nfs/dbraw/zinc/39/49/19/548394919.db2.gz GDTIQDKHTHKJGT-KRWDZBQOSA-N 2 2 312.417 3.217 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2[nH+]1 ZINC000676688069 548394923 /nfs/dbraw/zinc/39/49/23/548394923.db2.gz GDTIQDKHTHKJGT-KRWDZBQOSA-N 2 2 312.417 3.217 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c1 ZINC000677130678 548457011 /nfs/dbraw/zinc/45/70/11/548457011.db2.gz VQCYRPUQBLHXJU-LJQANCHMSA-N 2 2 313.445 3.283 20 0 DGADLP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678077953 548608519 /nfs/dbraw/zinc/60/85/19/548608519.db2.gz CJXYAYFKIRLMNQ-HKUYNNGSSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678077953 548608524 /nfs/dbraw/zinc/60/85/24/548608524.db2.gz CJXYAYFKIRLMNQ-HKUYNNGSSA-N 2 2 313.445 3.462 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000678336714 548681293 /nfs/dbraw/zinc/68/12/93/548681293.db2.gz JBYIWKDPQQKDTD-SOLBZPMBSA-N 2 2 311.429 3.332 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000678336714 548681297 /nfs/dbraw/zinc/68/12/97/548681297.db2.gz JBYIWKDPQQKDTD-SOLBZPMBSA-N 2 2 311.429 3.332 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000678688920 548751362 /nfs/dbraw/zinc/75/13/62/548751362.db2.gz AKWLVVXHPSPEPD-IBGZPJMESA-N 2 2 320.452 3.286 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000678771747 548760456 /nfs/dbraw/zinc/76/04/56/548760456.db2.gz YWYYMKAMVFBBSM-JLSDUUJJSA-N 2 2 304.503 3.337 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)C12CCC2 ZINC000678926837 548794282 /nfs/dbraw/zinc/79/42/82/548794282.db2.gz MIZCVBFMEXRWPV-SJORKVTESA-N 2 2 313.445 3.123 20 0 DGADLP CCCC[C@@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044592 548822393 /nfs/dbraw/zinc/82/23/93/548822393.db2.gz PIVXOQVYYAHAHG-IEBWSBKVSA-N 2 2 304.478 3.182 20 0 DGADLP CCCC[C@@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044592 548822395 /nfs/dbraw/zinc/82/23/95/548822395.db2.gz PIVXOQVYYAHAHG-IEBWSBKVSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679072666 548826527 /nfs/dbraw/zinc/82/65/27/548826527.db2.gz BVDOVNNWUHLDMC-YCPHGPKFSA-N 2 2 309.404 3.069 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679072666 548826531 /nfs/dbraw/zinc/82/65/31/548826531.db2.gz BVDOVNNWUHLDMC-YCPHGPKFSA-N 2 2 309.404 3.069 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1 ZINC000679732277 548946576 /nfs/dbraw/zinc/94/65/76/548946576.db2.gz JTXBMGCOWRMTOP-ZDUSSCGKSA-N 2 2 315.383 3.192 20 0 DGADLP CCc1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000680045732 548986494 /nfs/dbraw/zinc/98/64/94/548986494.db2.gz NBHQORFETWXYMB-UHFFFAOYSA-N 2 2 322.522 3.189 20 0 DGADLP CC1(C)CC[C@H]([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000680345309 549034447 /nfs/dbraw/zinc/03/44/47/549034447.db2.gz AFYACJLSCNHTQV-ICSRJNTNSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)CC[C@H]([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000680345309 549034451 /nfs/dbraw/zinc/03/44/51/549034451.db2.gz AFYACJLSCNHTQV-ICSRJNTNSA-N 2 2 316.489 3.182 20 0 DGADLP Cn1nc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc21 ZINC000680545222 549067274 /nfs/dbraw/zinc/06/72/74/549067274.db2.gz AASJKKQJHUIGOR-UHFFFAOYSA-N 2 2 323.425 3.110 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCOCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000680885029 549120719 /nfs/dbraw/zinc/12/07/19/549120719.db2.gz JSXRHZLVFCRUOK-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCOCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000680885029 549120723 /nfs/dbraw/zinc/12/07/23/549120723.db2.gz JSXRHZLVFCRUOK-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885761 549121468 /nfs/dbraw/zinc/12/14/68/549121468.db2.gz JXUJNZGKPRTOKW-YWZLYKJASA-N 2 2 320.440 3.173 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885761 549121470 /nfs/dbraw/zinc/12/14/70/549121470.db2.gz JXUJNZGKPRTOKW-YWZLYKJASA-N 2 2 320.440 3.173 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682072040 549282891 /nfs/dbraw/zinc/28/28/91/549282891.db2.gz QVFMKOUCNWEAIA-ZBFHGGJFSA-N 2 2 313.449 3.250 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682072040 549282893 /nfs/dbraw/zinc/28/28/93/549282893.db2.gz QVFMKOUCNWEAIA-ZBFHGGJFSA-N 2 2 313.449 3.250 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134232 549294584 /nfs/dbraw/zinc/29/45/84/549294584.db2.gz WYPUFRCBNUKZLK-YLJYHZDGSA-N 2 2 311.473 3.126 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134232 549294586 /nfs/dbraw/zinc/29/45/86/549294586.db2.gz WYPUFRCBNUKZLK-YLJYHZDGSA-N 2 2 311.473 3.126 20 0 DGADLP CCn1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000683000149 549412518 /nfs/dbraw/zinc/41/25/18/549412518.db2.gz RJTAKJGPYCAFKT-UHFFFAOYSA-N 2 2 300.431 3.387 20 0 DGADLP CCn1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000683000149 549412522 /nfs/dbraw/zinc/41/25/22/549412522.db2.gz RJTAKJGPYCAFKT-UHFFFAOYSA-N 2 2 300.431 3.387 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCOC(C)(C)C ZINC000683014778 549415162 /nfs/dbraw/zinc/41/51/62/549415162.db2.gz WJUALKYFPJUVQB-UHFFFAOYSA-N 2 2 301.434 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCOC(C)(C)C ZINC000683014778 549415165 /nfs/dbraw/zinc/41/51/65/549415165.db2.gz WJUALKYFPJUVQB-UHFFFAOYSA-N 2 2 301.434 3.428 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684025672 549569139 /nfs/dbraw/zinc/56/91/39/549569139.db2.gz GWIDLUAPERVZRE-NVXWUHKLSA-N 2 2 310.397 3.101 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684025672 549569142 /nfs/dbraw/zinc/56/91/42/549569142.db2.gz GWIDLUAPERVZRE-NVXWUHKLSA-N 2 2 310.397 3.101 20 0 DGADLP Cc1ccc(CCC[NH+]2CC(c3nc4ccccc4[nH]3)C2)c[nH+]1 ZINC000684361174 549617565 /nfs/dbraw/zinc/61/75/65/549617565.db2.gz OKVSJXHKXSUERS-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP Cc1ccncc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684381020 549623468 /nfs/dbraw/zinc/62/34/68/549623468.db2.gz AZAQDFHXBNZRJC-SFHVURJKSA-N 2 2 306.413 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000684382462 549624040 /nfs/dbraw/zinc/62/40/40/549624040.db2.gz PSNREFMQVGJXBI-RCCFBDPRSA-N 2 2 313.445 3.251 20 0 DGADLP COC1CC[NH+](CC[NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000684390207 549626764 /nfs/dbraw/zinc/62/67/64/549626764.db2.gz AFPGWKJHQWDKFI-LJQANCHMSA-N 2 2 304.478 3.127 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000684611245 549668242 /nfs/dbraw/zinc/66/82/42/549668242.db2.gz CZPDMGWSJMFRDU-TZMCWYRMSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000684611245 549668246 /nfs/dbraw/zinc/66/82/46/549668246.db2.gz CZPDMGWSJMFRDU-TZMCWYRMSA-N 2 2 300.368 3.320 20 0 DGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCCc3cccnc31)C2 ZINC000684954509 549724644 /nfs/dbraw/zinc/72/46/44/549724644.db2.gz VNQNWIBVMKKAMY-FQEVSTJZSA-N 2 2 321.468 3.497 20 0 DGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCCc3cccnc31)C2 ZINC000684954509 549724647 /nfs/dbraw/zinc/72/46/47/549724647.db2.gz VNQNWIBVMKKAMY-FQEVSTJZSA-N 2 2 321.468 3.497 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470699 549767282 /nfs/dbraw/zinc/76/72/82/549767282.db2.gz JYEFSGKHDSLIPB-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470699 549767284 /nfs/dbraw/zinc/76/72/84/549767284.db2.gz JYEFSGKHDSLIPB-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470699 549767285 /nfs/dbraw/zinc/76/72/85/549767285.db2.gz JYEFSGKHDSLIPB-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470699 549767288 /nfs/dbraw/zinc/76/72/88/549767288.db2.gz JYEFSGKHDSLIPB-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629493 549782888 /nfs/dbraw/zinc/78/28/88/549782888.db2.gz OTXUSOAOPHDPPX-GFCCVEGCSA-N 2 2 312.804 3.258 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000685629493 549782892 /nfs/dbraw/zinc/78/28/92/549782892.db2.gz OTXUSOAOPHDPPX-GFCCVEGCSA-N 2 2 312.804 3.258 20 0 DGADLP c1[nH+]c2ccccn2c1CN1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000685848211 549798694 /nfs/dbraw/zinc/79/86/94/549798694.db2.gz OSNPKXPALUNWEA-QGZVFWFLSA-N 2 2 318.424 3.319 20 0 DGADLP c1[nH+]c2ccccn2c1CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000685848211 549798697 /nfs/dbraw/zinc/79/86/97/549798697.db2.gz OSNPKXPALUNWEA-QGZVFWFLSA-N 2 2 318.424 3.319 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000685852330 549800424 /nfs/dbraw/zinc/80/04/24/549800424.db2.gz VWYXIGRTMGDQGR-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000685852330 549800427 /nfs/dbraw/zinc/80/04/27/549800427.db2.gz VWYXIGRTMGDQGR-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000725262815 549812051 /nfs/dbraw/zinc/81/20/51/549812051.db2.gz UINIPWLQTJQDAI-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP Cc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000725262815 549812054 /nfs/dbraw/zinc/81/20/54/549812054.db2.gz UINIPWLQTJQDAI-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1C ZINC000741024784 574525265 /nfs/dbraw/zinc/52/52/65/574525265.db2.gz ZPATWBJICCNLKA-YDHLFZDLSA-N 2 2 320.433 3.012 20 0 DGADLP c1csc(-c2ccn(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000738109572 574859413 /nfs/dbraw/zinc/85/94/13/574859413.db2.gz FMVSNZPRMSASNU-UHFFFAOYSA-N 2 2 313.430 3.103 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000738159984 574860312 /nfs/dbraw/zinc/86/03/12/574860312.db2.gz VJVJCHKNPXXDSM-LJQANCHMSA-N 2 2 321.428 3.350 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000738159984 574860313 /nfs/dbraw/zinc/86/03/13/574860313.db2.gz VJVJCHKNPXXDSM-LJQANCHMSA-N 2 2 321.428 3.350 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1Cl ZINC000742374853 574993693 /nfs/dbraw/zinc/99/36/93/574993693.db2.gz IEEARJLDTNDRFR-JSGCOSHPSA-N 2 2 312.889 3.217 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1Cl ZINC000742374853 574993695 /nfs/dbraw/zinc/99/36/95/574993695.db2.gz IEEARJLDTNDRFR-JSGCOSHPSA-N 2 2 312.889 3.217 20 0 DGADLP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC000729682665 575260645 /nfs/dbraw/zinc/26/06/45/575260645.db2.gz YFUYNUOVNQMHFG-LJQANCHMSA-N 2 2 310.441 3.368 20 0 DGADLP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C3)cc2)cc1 ZINC000729682665 575260646 /nfs/dbraw/zinc/26/06/46/575260646.db2.gz YFUYNUOVNQMHFG-LJQANCHMSA-N 2 2 310.441 3.368 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)n1 ZINC000729919738 575266552 /nfs/dbraw/zinc/26/65/52/575266552.db2.gz BHYVXCSRPZSCEO-GFCCVEGCSA-N 2 2 311.216 3.422 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)n1 ZINC000729919738 575266554 /nfs/dbraw/zinc/26/65/54/575266554.db2.gz BHYVXCSRPZSCEO-GFCCVEGCSA-N 2 2 311.216 3.422 20 0 DGADLP CCCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(C)o1 ZINC000746657705 575466941 /nfs/dbraw/zinc/46/69/41/575466941.db2.gz HEFRTZQPIVVFQA-DLBZAZTESA-N 2 2 308.466 3.208 20 0 DGADLP CCCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(C)o1 ZINC000746657705 575466943 /nfs/dbraw/zinc/46/69/43/575466943.db2.gz HEFRTZQPIVVFQA-DLBZAZTESA-N 2 2 308.466 3.208 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1 ZINC000750831141 575755009 /nfs/dbraw/zinc/75/50/09/575755009.db2.gz VOBHLYPEIYWMFW-HUUCEWRRSA-N 2 2 303.475 3.165 20 0 DGADLP c1c(CC[NH2+]Cc2cnc3ccccc3c2)[nH+]c2ccccn12 ZINC000727466492 576126734 /nfs/dbraw/zinc/12/67/34/576126734.db2.gz WDXGBJAWZILNIC-UHFFFAOYSA-N 2 2 302.381 3.215 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000852743169 620644660 /nfs/dbraw/zinc/64/46/60/620644660.db2.gz AKDZXIMUXKSNRK-LLVKDONJSA-N 2 2 323.234 3.366 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000852743169 620644662 /nfs/dbraw/zinc/64/46/62/620644662.db2.gz AKDZXIMUXKSNRK-LLVKDONJSA-N 2 2 323.234 3.366 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105901 617963508 /nfs/dbraw/zinc/96/35/08/617963508.db2.gz QOVXNDMEOAXFNP-MAUKXSAKSA-N 2 2 318.509 3.240 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105901 617963510 /nfs/dbraw/zinc/96/35/10/617963510.db2.gz QOVXNDMEOAXFNP-MAUKXSAKSA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105901 617963513 /nfs/dbraw/zinc/96/35/13/617963513.db2.gz QOVXNDMEOAXFNP-MAUKXSAKSA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105901 617963517 /nfs/dbraw/zinc/96/35/17/617963517.db2.gz QOVXNDMEOAXFNP-MAUKXSAKSA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892121606 617967274 /nfs/dbraw/zinc/96/72/74/617967274.db2.gz TWFGDDYTJCQQLN-GOSISDBHSA-N 2 2 303.494 3.444 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892121606 617967278 /nfs/dbraw/zinc/96/72/78/617967278.db2.gz TWFGDDYTJCQQLN-GOSISDBHSA-N 2 2 303.494 3.444 20 0 DGADLP C[C@@H]1CC2(CC([NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)C2)CO1 ZINC000924531483 618074470 /nfs/dbraw/zinc/07/44/70/618074470.db2.gz HBVYSFAVZIPANP-OTBHMBEGSA-N 2 2 314.473 3.371 20 0 DGADLP Fc1ccc(C2CC([NH2+]CCCCn3cc[nH+]c3)C2)c(F)c1 ZINC000892659105 618128810 /nfs/dbraw/zinc/12/88/10/618128810.db2.gz QCMIHHNNMSNLRP-UHFFFAOYSA-N 2 2 305.372 3.477 20 0 DGADLP CNc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892669259 618131694 /nfs/dbraw/zinc/13/16/94/618131694.db2.gz QNZWBNVKOMPYKK-BLLLJJGKSA-N 2 2 317.462 3.075 20 0 DGADLP CNc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892669259 618131697 /nfs/dbraw/zinc/13/16/97/618131697.db2.gz QNZWBNVKOMPYKK-BLLLJJGKSA-N 2 2 317.462 3.075 20 0 DGADLP O[C@@H](C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C[NH+]1CCCC1 ZINC000920094832 620782749 /nfs/dbraw/zinc/78/27/49/620782749.db2.gz ICFKXBKZXAJUFI-OAQYLSRUSA-N 2 2 324.468 3.261 20 0 DGADLP O[C@@H](C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C[NH+]1CCCC1 ZINC000920094832 620782750 /nfs/dbraw/zinc/78/27/50/620782750.db2.gz ICFKXBKZXAJUFI-OAQYLSRUSA-N 2 2 324.468 3.261 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)on1 ZINC000924606657 618323512 /nfs/dbraw/zinc/32/35/12/618323512.db2.gz MWILJYLUESLUSI-CQSZACIVSA-N 2 2 315.417 3.130 20 0 DGADLP C[C@@]1(Br)C[C@@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000892870169 618333639 /nfs/dbraw/zinc/33/36/39/618333639.db2.gz DHONCPFJSIZFSV-TZMCWYRMSA-N 2 2 312.255 3.037 20 0 DGADLP Oc1cc(Cl)cc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000892872664 618336212 /nfs/dbraw/zinc/33/62/12/618336212.db2.gz WDMFCWMBUXHTAG-UHFFFAOYSA-N 2 2 305.809 3.423 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCc2ccc(C)c(C)c2)CC1 ZINC000892972916 618375268 /nfs/dbraw/zinc/37/52/68/618375268.db2.gz ZRCMOMCNFYYSML-UHFFFAOYSA-N 2 2 318.505 3.325 20 0 DGADLP Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc(C2CCC2)[nH+]1 ZINC000892984415 618377487 /nfs/dbraw/zinc/37/74/87/618377487.db2.gz SBQBHQCFWGVERA-QGZVFWFLSA-N 2 2 314.477 3.221 20 0 DGADLP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925514116 618451221 /nfs/dbraw/zinc/45/12/21/618451221.db2.gz NJMMMMXNEYNVIE-LJQANCHMSA-N 3 2 313.489 3.047 20 0 DGADLP CC1(C)COC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000894869186 618483713 /nfs/dbraw/zinc/48/37/13/618483713.db2.gz PDOTZSHSEOGKRH-HNNXBMFYSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000925640785 618517604 /nfs/dbraw/zinc/51/76/04/618517604.db2.gz UUIGIRUGZIWHHC-HZMBPMFUSA-N 2 2 322.250 3.161 20 0 DGADLP CCCSC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000893343028 618522465 /nfs/dbraw/zinc/52/24/65/618522465.db2.gz LVYNJBXZEAUQQA-MRXNPFEDSA-N 2 2 314.539 3.143 20 0 DGADLP C[C@H](CC1CCOCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110524 618539398 /nfs/dbraw/zinc/53/93/98/618539398.db2.gz OLGCLXNUUSOGMT-KBAYOESNSA-N 2 2 317.477 3.363 20 0 DGADLP CC(C)[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110311 618539490 /nfs/dbraw/zinc/53/94/90/618539490.db2.gz IBVUAJLEMNDRAM-XSLAGTTESA-N 2 2 317.477 3.362 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc3[nH+]ccn32)c2ccccn2)CC1 ZINC000895110825 618539629 /nfs/dbraw/zinc/53/96/29/618539629.db2.gz YPHMZQNSFXRCOD-WKILWMFISA-N 2 2 321.428 3.006 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2Cl)c2cccc[nH+]2)CC1 ZINC000895110939 618539940 /nfs/dbraw/zinc/53/99/40/618539940.db2.gz DOYHWKHGEODQSP-SHTZXODSSA-N 2 2 316.836 3.407 20 0 DGADLP C[C@H]([C@H]1CCCCO1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112495 618540571 /nfs/dbraw/zinc/54/05/71/618540571.db2.gz AEBUPEAHCYULDE-QBPKDAKJSA-N 2 2 303.450 3.116 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(CC2CCSCC2)c2cccc[nH+]2)CC1 ZINC000895115932 618541199 /nfs/dbraw/zinc/54/11/99/618541199.db2.gz PVPLHCPCBMYDAE-WKILWMFISA-N 2 2 305.491 3.301 20 0 DGADLP C[C@H](CC[NH2+]Cc1cccc(F)c1OCC(F)(F)F)[NH+](C)C ZINC000895290588 618588779 /nfs/dbraw/zinc/58/87/79/618588779.db2.gz NDPVDXVFRSIPSO-LLVKDONJSA-N 2 2 322.346 3.197 20 0 DGADLP C[C@@H](CC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)[NH+](C)C ZINC000895296848 618590607 /nfs/dbraw/zinc/59/06/07/618590607.db2.gz GETHOJGTLJBSMZ-ZDUSSCGKSA-N 2 2 320.868 3.170 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895301698 618591909 /nfs/dbraw/zinc/59/19/09/618591909.db2.gz KGJZOJBCRZRQBX-NZSAHSFTSA-N 2 2 313.445 3.109 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895301698 618591913 /nfs/dbraw/zinc/59/19/13/618591913.db2.gz KGJZOJBCRZRQBX-NZSAHSFTSA-N 2 2 313.445 3.109 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925777242 618616610 /nfs/dbraw/zinc/61/66/10/618616610.db2.gz CRRMDXNQIMJOIM-YGRLFVJLSA-N 2 2 304.331 3.250 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000925783351 618619110 /nfs/dbraw/zinc/61/91/10/618619110.db2.gz NISVZWUWGDFJCP-VCTAVGKDSA-N 2 2 309.251 3.098 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793353 618621101 /nfs/dbraw/zinc/62/11/01/618621101.db2.gz IIGPQDSLEGSISO-QAPCUYQASA-N 2 2 302.462 3.058 20 0 DGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1C ZINC000925793585 618621131 /nfs/dbraw/zinc/62/11/31/618621131.db2.gz FWBOOTRKVGBIIV-DLBZAZTESA-N 2 2 302.462 3.113 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000894171447 618724146 /nfs/dbraw/zinc/72/41/46/618724146.db2.gz IHVUSEDOVMVHMG-UHFFFAOYSA-N 2 2 304.482 3.187 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc2c1OCO2 ZINC000924926648 618740403 /nfs/dbraw/zinc/74/04/03/618740403.db2.gz LYWKYXUEWJJSIJ-CQSZACIVSA-N 2 2 313.401 3.353 20 0 DGADLP Cn1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(-c2ccccc2)n1 ZINC000895670403 618815943 /nfs/dbraw/zinc/81/59/43/618815943.db2.gz GRTXDQKOBKUSPO-UHFFFAOYSA-N 2 2 324.472 3.147 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672089 618816226 /nfs/dbraw/zinc/81/62/26/618816226.db2.gz OQJASCQGOSZPSO-SXLOBPIMSA-N 2 2 313.489 3.038 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672089 618816227 /nfs/dbraw/zinc/81/62/27/618816227.db2.gz OQJASCQGOSZPSO-SXLOBPIMSA-N 2 2 313.489 3.038 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846188 618841068 /nfs/dbraw/zinc/84/10/68/618841068.db2.gz ZJBBIQSFAXMHMJ-HKUYNNGSSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846188 618841069 /nfs/dbraw/zinc/84/10/69/618841069.db2.gz ZJBBIQSFAXMHMJ-HKUYNNGSSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846188 618841070 /nfs/dbraw/zinc/84/10/70/618841070.db2.gz ZJBBIQSFAXMHMJ-HKUYNNGSSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846188 618841071 /nfs/dbraw/zinc/84/10/71/618841071.db2.gz ZJBBIQSFAXMHMJ-HKUYNNGSSA-N 2 2 323.440 3.400 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000896058704 618868195 /nfs/dbraw/zinc/86/81/95/618868195.db2.gz QAJAUWWLSYYYSD-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP c1ccc(NC2CC[NH+](CC3=Cc4ccccc4OC3)CC2)[nH+]c1 ZINC000896198682 618884278 /nfs/dbraw/zinc/88/42/78/618884278.db2.gz RRXCNVIGRVWZOY-UHFFFAOYSA-N 2 2 321.424 3.434 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccnc1 ZINC000896717632 618949781 /nfs/dbraw/zinc/94/97/81/618949781.db2.gz UEYMGCRPEOHIDW-SFHVURJKSA-N 2 2 319.399 3.185 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnn1CC1CCC1 ZINC000925231325 619087699 /nfs/dbraw/zinc/08/76/99/619087699.db2.gz HQFYSJQGRXQLPJ-OAHLLOKOSA-N 2 2 313.449 3.231 20 0 DGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000841006029 619148683 /nfs/dbraw/zinc/14/86/83/619148683.db2.gz GJHORUXXAYTPEW-ROUUACIJSA-N 2 2 324.896 3.459 20 0 DGADLP FC(F)COc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897981647 619202950 /nfs/dbraw/zinc/20/29/50/619202950.db2.gz PNTOAQDOLZORRE-UHFFFAOYSA-N 2 2 324.415 3.437 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000926953345 619252350 /nfs/dbraw/zinc/25/23/50/619252350.db2.gz AUQIXHKCPPLIFM-MJGOQNOKSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000926953345 619252352 /nfs/dbraw/zinc/25/23/52/619252352.db2.gz AUQIXHKCPPLIFM-MJGOQNOKSA-N 2 2 324.472 3.094 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000926960106 619252470 /nfs/dbraw/zinc/25/24/70/619252470.db2.gz MAYDGGFQPJSAPG-MNOVXSKESA-N 2 2 324.412 3.384 20 0 DGADLP C[C@@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959878 619252607 /nfs/dbraw/zinc/25/26/07/619252607.db2.gz TWZCIXSYHZJQSN-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959878 619252609 /nfs/dbraw/zinc/25/26/09/619252609.db2.gz TWZCIXSYHZJQSN-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccnn1CC1CCC1 ZINC000924731719 619272903 /nfs/dbraw/zinc/27/29/03/619272903.db2.gz KGFXJDLHQIDSCU-HNNXBMFYSA-N 2 2 301.438 3.011 20 0 DGADLP C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cn2c([nH+]1)CCCC2 ZINC000924739452 619292552 /nfs/dbraw/zinc/29/25/52/619292552.db2.gz PDUHMCIILNDXDW-JTDSTZFVSA-N 2 2 318.509 3.381 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443123 619637229 /nfs/dbraw/zinc/63/72/29/619637229.db2.gz CUONEZWZTXAESO-WMLDXEAASA-N 2 2 317.477 3.115 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000902414706 619637540 /nfs/dbraw/zinc/63/75/40/619637540.db2.gz ZPOXKLJIZXDOIV-INIZCTEOSA-N 2 2 318.367 3.458 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902469563 619642324 /nfs/dbraw/zinc/64/23/24/619642324.db2.gz XNMAEJBOHHDBEA-MHCWDXNASA-N 2 2 321.262 3.480 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc2c(c1)OCCCO2 ZINC000902483889 619645669 /nfs/dbraw/zinc/64/56/69/619645669.db2.gz SLBCEYDOURTLGD-GOEBONIOSA-N 2 2 304.434 3.031 20 0 DGADLP c1cn(CC[NH2+][C@@H](CCc2cccnc2)c2ccccc2)c[nH+]1 ZINC000902725064 619666202 /nfs/dbraw/zinc/66/62/02/619666202.db2.gz OPCUCXVRUIQSEP-IBGZPJMESA-N 2 2 306.413 3.242 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902735573 619667918 /nfs/dbraw/zinc/66/79/18/619667918.db2.gz GFAHKBHKJWVZNV-GFCCVEGCSA-N 2 2 303.372 3.481 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902735573 619667920 /nfs/dbraw/zinc/66/79/20/619667920.db2.gz GFAHKBHKJWVZNV-GFCCVEGCSA-N 2 2 303.372 3.481 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902801995 619675627 /nfs/dbraw/zinc/67/56/27/619675627.db2.gz HHMLVGWBVBVHND-RLFYNMQTSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817810 619678916 /nfs/dbraw/zinc/67/89/16/619678916.db2.gz DECJAKMWHRKQBW-NTZNESFSSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817810 619678917 /nfs/dbraw/zinc/67/89/17/619678917.db2.gz DECJAKMWHRKQBW-NTZNESFSSA-N 2 2 301.356 3.234 20 0 DGADLP COc1ccc(Cl)c2c1CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000903058764 619707790 /nfs/dbraw/zinc/70/77/90/619707790.db2.gz SRRFZRRVMJTYFC-CQSZACIVSA-N 2 2 305.809 3.212 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1COc2ccccc2C1 ZINC000903046782 619710180 /nfs/dbraw/zinc/71/01/80/619710180.db2.gz AQPZCQRLMOIMFL-XIRDDKMYSA-N 2 2 302.462 3.089 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1COc2ccccc2C1 ZINC000903046782 619710181 /nfs/dbraw/zinc/71/01/81/619710181.db2.gz AQPZCQRLMOIMFL-XIRDDKMYSA-N 2 2 302.462 3.089 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1COc2ccccc2C1 ZINC000903046776 619710428 /nfs/dbraw/zinc/71/04/28/619710428.db2.gz AQPZCQRLMOIMFL-BHYGNILZSA-N 2 2 302.462 3.089 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1COc2ccccc2C1 ZINC000903046776 619710431 /nfs/dbraw/zinc/71/04/31/619710431.db2.gz AQPZCQRLMOIMFL-BHYGNILZSA-N 2 2 302.462 3.089 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000903082561 619712613 /nfs/dbraw/zinc/71/26/13/619712613.db2.gz UOJLINBUNFXEDE-UEDNIHKISA-N 2 2 318.505 3.187 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000903082561 619712614 /nfs/dbraw/zinc/71/26/14/619712614.db2.gz UOJLINBUNFXEDE-UEDNIHKISA-N 2 2 318.505 3.187 20 0 DGADLP COCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C)o1 ZINC000903147927 619728720 /nfs/dbraw/zinc/72/87/20/619728720.db2.gz UWMMJAICMIUTQB-ONQFOCNCSA-N 2 2 318.461 3.413 20 0 DGADLP COCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C)o1 ZINC000903147927 619728721 /nfs/dbraw/zinc/72/87/21/619728721.db2.gz UWMMJAICMIUTQB-ONQFOCNCSA-N 2 2 318.461 3.413 20 0 DGADLP COCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccco1 ZINC000903148138 619728828 /nfs/dbraw/zinc/72/88/28/619728828.db2.gz XLGBEORIVIFXEV-YQAQFAQXSA-N 2 2 304.434 3.105 20 0 DGADLP COCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903148138 619728829 /nfs/dbraw/zinc/72/88/29/619728829.db2.gz XLGBEORIVIFXEV-YQAQFAQXSA-N 2 2 304.434 3.105 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3nccc4c3CCCC4)CC2)[nH+]c1 ZINC000903184252 619732012 /nfs/dbraw/zinc/73/20/12/619732012.db2.gz KLUSNHXPNWVLBR-UHFFFAOYSA-N 2 2 322.456 3.114 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243715 619743186 /nfs/dbraw/zinc/74/31/86/619743186.db2.gz IAYJQBGWMKAUCZ-QAPCUYQASA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243715 619743188 /nfs/dbraw/zinc/74/31/88/619743188.db2.gz IAYJQBGWMKAUCZ-QAPCUYQASA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903257875 619746144 /nfs/dbraw/zinc/74/61/44/619746144.db2.gz MMLBCUGKLDLXGK-OAHLLOKOSA-N 2 2 311.429 3.218 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903376781 619767877 /nfs/dbraw/zinc/76/78/77/619767877.db2.gz GUYJXQFFRJMPSH-SJORKVTESA-N 2 2 307.482 3.115 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C[C@@H]1OC ZINC000903381265 619768737 /nfs/dbraw/zinc/76/87/37/619768737.db2.gz UMIRAKHFTZVGAJ-KSZLIROESA-N 2 2 319.493 3.258 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000903454391 619779337 /nfs/dbraw/zinc/77/93/37/619779337.db2.gz BFISYTYVHLHDMQ-GFCCVEGCSA-N 2 2 315.230 3.066 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1C ZINC000903465559 619781610 /nfs/dbraw/zinc/78/16/10/619781610.db2.gz JZNDSODGIHGBFK-QGZVFWFLSA-N 2 2 300.446 3.189 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000903890274 619826212 /nfs/dbraw/zinc/82/62/12/619826212.db2.gz AWMZVUXMNHPSKZ-LSDHHAIUSA-N 2 2 300.368 3.205 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000903890274 619826213 /nfs/dbraw/zinc/82/62/13/619826213.db2.gz AWMZVUXMNHPSKZ-LSDHHAIUSA-N 2 2 300.368 3.205 20 0 DGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000903892774 619829454 /nfs/dbraw/zinc/82/94/54/619829454.db2.gz WMOSJASJQFIGEK-CQSZACIVSA-N 2 2 300.368 3.063 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000903915114 619831336 /nfs/dbraw/zinc/83/13/36/619831336.db2.gz NBABPSHEAMDWNU-SWLSCSKDSA-N 2 2 300.368 3.378 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000903915114 619831338 /nfs/dbraw/zinc/83/13/38/619831338.db2.gz NBABPSHEAMDWNU-SWLSCSKDSA-N 2 2 300.368 3.378 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903931439 619836472 /nfs/dbraw/zinc/83/64/72/619836472.db2.gz DSMHSIOOBQPPCE-GJZGRUSLSA-N 2 2 312.404 3.075 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903931439 619836474 /nfs/dbraw/zinc/83/64/74/619836474.db2.gz DSMHSIOOBQPPCE-GJZGRUSLSA-N 2 2 312.404 3.075 20 0 DGADLP [NH3+][C@@H](C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)CC(F)F ZINC000903932942 619836599 /nfs/dbraw/zinc/83/65/99/619836599.db2.gz XXQDOQYJCVIZAC-SNVBAGLBSA-N 2 2 324.293 3.146 20 0 DGADLP C[C@@H](CC[N@@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903942938 619842267 /nfs/dbraw/zinc/84/22/67/619842267.db2.gz YJVSBOYNSHQWMZ-ZDUSSCGKSA-N 2 2 301.459 3.154 20 0 DGADLP C[C@@H](CC[N@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903942938 619842269 /nfs/dbraw/zinc/84/22/69/619842269.db2.gz YJVSBOYNSHQWMZ-ZDUSSCGKSA-N 2 2 301.459 3.154 20 0 DGADLP CC(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903975031 619848109 /nfs/dbraw/zinc/84/81/09/619848109.db2.gz VTAIXYWDJXIDOS-SFHVURJKSA-N 2 2 302.462 3.058 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cn(C)cn1 ZINC000924855734 620433138 /nfs/dbraw/zinc/43/31/38/620433138.db2.gz LFBNPRRSXSGRKU-HNNXBMFYSA-N 2 2 304.482 3.115 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921501947 620875023 /nfs/dbraw/zinc/87/50/23/620875023.db2.gz RSKWVCNGZMVIHA-UHFFFAOYSA-N 2 2 310.873 3.152 20 0 DGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000921580876 620911880 /nfs/dbraw/zinc/91/18/80/620911880.db2.gz WSBYVHPAEKXLQS-KRWDZBQOSA-N 2 2 301.434 3.405 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)cc2)c[nH+]1 ZINC000921603708 620913075 /nfs/dbraw/zinc/91/30/75/620913075.db2.gz KZKSKAWBBWHVMR-OKZBNKHCSA-N 2 2 311.429 3.167 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)C1CC1 ZINC000921659308 620928275 /nfs/dbraw/zinc/92/82/75/620928275.db2.gz CVMCRJVCNGZJBT-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)C1CC1 ZINC000921659308 620928278 /nfs/dbraw/zinc/92/82/78/620928278.db2.gz CVMCRJVCNGZJBT-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP CCC[C@@H](C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)[NH+](C)C ZINC000921660875 620929046 /nfs/dbraw/zinc/92/90/46/620929046.db2.gz UXNBWIDQMHNBJW-INIZCTEOSA-N 2 2 314.433 3.362 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)[nH+]c1 ZINC000921666800 620929921 /nfs/dbraw/zinc/92/99/21/620929921.db2.gz IJAVJDDVJNCFCD-IXDOHACOSA-N 2 2 303.450 3.069 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@@H+]1C ZINC000921781230 620948663 /nfs/dbraw/zinc/94/86/63/620948663.db2.gz YZTSJWYYZQOPED-WBVHZDCISA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@H+]1C ZINC000921781230 620948664 /nfs/dbraw/zinc/94/86/64/620948664.db2.gz YZTSJWYYZQOPED-WBVHZDCISA-N 2 2 311.429 3.446 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(Oc3ccccn3)c1)C2 ZINC000922140603 620994216 /nfs/dbraw/zinc/99/42/16/620994216.db2.gz WLLLGELWFCZPPR-HNNXBMFYSA-N 2 2 320.396 3.244 20 0 DGADLP CC1CC(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000856810818 621024645 /nfs/dbraw/zinc/02/46/45/621024645.db2.gz YDUVBAHXTFRFAQ-UHFFFAOYSA-N 2 2 301.478 3.357 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2cnn(C3CCC3)c2)c2ccccc2)c[nH+]1 ZINC000922334631 621026546 /nfs/dbraw/zinc/02/65/46/621026546.db2.gz DMUCNEQTOKBFKK-LJQANCHMSA-N 2 2 321.428 3.336 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000857864775 621124598 /nfs/dbraw/zinc/12/45/98/621124598.db2.gz HWMYXIFVJRCPBU-UYAOXDASSA-N 2 2 324.472 3.289 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000857864775 621124599 /nfs/dbraw/zinc/12/45/99/621124599.db2.gz HWMYXIFVJRCPBU-UYAOXDASSA-N 2 2 324.472 3.289 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157327 621159899 /nfs/dbraw/zinc/15/98/99/621159899.db2.gz DLILSLFGUUWBRC-CVEARBPZSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157327 621159900 /nfs/dbraw/zinc/15/99/00/621159900.db2.gz DLILSLFGUUWBRC-CVEARBPZSA-N 2 2 304.482 3.304 20 0 DGADLP O[C@H](C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129727 621338257 /nfs/dbraw/zinc/33/82/57/621338257.db2.gz OGVWDJSGMZOLFP-RBUKOAKNSA-N 2 2 314.473 3.060 20 0 DGADLP O[C@H](C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129727 621338261 /nfs/dbraw/zinc/33/82/61/621338261.db2.gz OGVWDJSGMZOLFP-RBUKOAKNSA-N 2 2 314.473 3.060 20 0 DGADLP C[N@@H+](Cc1cc(Cl)nc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842201 621572000 /nfs/dbraw/zinc/57/20/00/621572000.db2.gz AYSYGQIJPZZZEO-NSHDSACASA-N 2 2 302.249 3.162 20 0 DGADLP C[N@H+](Cc1cc(Cl)nc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842201 621572003 /nfs/dbraw/zinc/57/20/03/621572003.db2.gz AYSYGQIJPZZZEO-NSHDSACASA-N 2 2 302.249 3.162 20 0 DGADLP C[NH+](Cc1cc(Cl)nc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842201 621572004 /nfs/dbraw/zinc/57/20/04/621572004.db2.gz AYSYGQIJPZZZEO-NSHDSACASA-N 2 2 302.249 3.162 20 0 DGADLP C[NH+](Cc1cc(Cl)nc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842201 621572006 /nfs/dbraw/zinc/57/20/06/621572006.db2.gz AYSYGQIJPZZZEO-NSHDSACASA-N 2 2 302.249 3.162 20 0 DGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(SC(F)F)cc1)C2 ZINC000863560109 621683556 /nfs/dbraw/zinc/68/35/56/621683556.db2.gz BJAPCQMCPQZBQR-IYBDPMFKSA-N 2 2 312.429 3.433 20 0 DGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(SC(F)F)cc1)C2 ZINC000863560109 621683558 /nfs/dbraw/zinc/68/35/58/621683558.db2.gz BJAPCQMCPQZBQR-IYBDPMFKSA-N 2 2 312.429 3.433 20 0 DGADLP c1cn(Cc2cccc(-c3ccc(N4CC[NH2+]CC4)cc3)c2)c[nH+]1 ZINC000863689698 621700707 /nfs/dbraw/zinc/70/07/07/621700707.db2.gz DSUIYWJTJGFCKY-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865412446 621914406 /nfs/dbraw/zinc/91/44/06/621914406.db2.gz OVHGYNRUFVCMKF-NSHDSACASA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865412446 621914410 /nfs/dbraw/zinc/91/44/10/621914410.db2.gz OVHGYNRUFVCMKF-NSHDSACASA-N 2 2 314.351 3.001 20 0 DGADLP FC(F)(F)c1c[nH+]ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000865419935 621916458 /nfs/dbraw/zinc/91/64/58/621916458.db2.gz CPYHICXZNZMMTE-UHFFFAOYSA-N 2 2 311.307 3.016 20 0 DGADLP c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n(CC2CCC2)n1 ZINC000865432225 621919390 /nfs/dbraw/zinc/91/93/90/621919390.db2.gz ZKNFZEZXIOZBPJ-UHFFFAOYSA-N 2 2 321.428 3.159 20 0 DGADLP C[C@@]1(C[NH2+]Cc2cn(C3CC3)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000865554615 621950910 /nfs/dbraw/zinc/95/09/10/621950910.db2.gz OOEBUKRCBMFHJR-FQEVSTJZSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@]1(C[NH2+]Cc2cn(C3CC3)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000865554615 621950911 /nfs/dbraw/zinc/95/09/11/621950911.db2.gz OOEBUKRCBMFHJR-FQEVSTJZSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000865613217 621962070 /nfs/dbraw/zinc/96/20/70/621962070.db2.gz UZKWDBKQVTWCEG-FZMZJTMJSA-N 2 2 310.323 3.384 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660670 621973184 /nfs/dbraw/zinc/97/31/84/621973184.db2.gz QKKQZVOTWHDJIN-SJLPKXTDSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660670 621973186 /nfs/dbraw/zinc/97/31/86/621973186.db2.gz QKKQZVOTWHDJIN-SJLPKXTDSA-N 2 2 324.472 3.076 20 0 DGADLP CC(C)(C)c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000865814362 622000066 /nfs/dbraw/zinc/00/00/66/622000066.db2.gz DSJZYUVYXPXPTQ-UHFFFAOYSA-N 2 2 310.401 3.448 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000866240094 622074147 /nfs/dbraw/zinc/07/41/47/622074147.db2.gz XNMIJFSFKJUHDU-MGPUTAFESA-N 2 2 311.473 3.486 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000866243962 622074931 /nfs/dbraw/zinc/07/49/31/622074931.db2.gz JYHRWKJNWVEVEP-OALUTQOASA-N 2 2 311.429 3.310 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476641 622078008 /nfs/dbraw/zinc/07/80/08/622078008.db2.gz OPNLVSCZKTXRGK-QFBILLFUSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476641 622078011 /nfs/dbraw/zinc/07/80/11/622078011.db2.gz OPNLVSCZKTXRGK-QFBILLFUSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866343498 622098505 /nfs/dbraw/zinc/09/85/05/622098505.db2.gz MWQFBJPNKQUGMK-GHMZBOCLSA-N 2 2 316.792 3.343 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450083 622121064 /nfs/dbraw/zinc/12/10/64/622121064.db2.gz NSQUAQFSCPBLAQ-BZZMCLGOSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450083 622121067 /nfs/dbraw/zinc/12/10/67/622121067.db2.gz NSQUAQFSCPBLAQ-BZZMCLGOSA-N 2 2 305.441 3.162 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000866484145 622125878 /nfs/dbraw/zinc/12/58/78/622125878.db2.gz RKESDEGZZWFPDS-UHFFFAOYSA-N 2 2 318.461 3.216 20 0 DGADLP c1ccc(N2CCC([NH2+]C3([C@@H]4CCCCO4)CCC3)CC2)[nH+]c1 ZINC000866621428 622148957 /nfs/dbraw/zinc/14/89/57/622148957.db2.gz GINVFQCGPBBRTC-KRWDZBQOSA-N 2 2 315.461 3.132 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000765040570 622241508 /nfs/dbraw/zinc/24/15/08/622241508.db2.gz XRWXRWGEJVECCV-UXHICEINSA-N 3 2 319.537 3.248 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000765040570 622241511 /nfs/dbraw/zinc/24/15/11/622241511.db2.gz XRWXRWGEJVECCV-UXHICEINSA-N 3 2 319.537 3.248 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250413 622253992 /nfs/dbraw/zinc/25/39/92/622253992.db2.gz LZDUVYAVZOXGAW-ZWKOTPCHSA-N 2 2 315.461 3.145 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000765976941 622297805 /nfs/dbraw/zinc/29/78/05/622297805.db2.gz OQCLMBMUTGFKKA-BBRMVZONSA-N 2 2 323.506 3.054 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122758 622307783 /nfs/dbraw/zinc/30/77/83/622307783.db2.gz ODCNZQKXOBUKMZ-QWHCGFSZSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122758 622307786 /nfs/dbraw/zinc/30/77/86/622307786.db2.gz ODCNZQKXOBUKMZ-QWHCGFSZSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122758 622307788 /nfs/dbraw/zinc/30/77/88/622307788.db2.gz ODCNZQKXOBUKMZ-QWHCGFSZSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122758 622307791 /nfs/dbraw/zinc/30/77/91/622307791.db2.gz ODCNZQKXOBUKMZ-QWHCGFSZSA-N 2 2 314.260 3.305 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@@H](C)CC ZINC000771844440 622802149 /nfs/dbraw/zinc/80/21/49/622802149.db2.gz VFKALQNGMNNGFB-HNNXBMFYSA-N 2 2 305.466 3.295 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872108909 622810576 /nfs/dbraw/zinc/81/05/76/622810576.db2.gz DUPLZRDZPVFQDG-CBVHJVASSA-N 2 2 311.429 3.481 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150513 622833961 /nfs/dbraw/zinc/83/39/61/622833961.db2.gz FJKPKJHQASZRFA-RYUDHWBXSA-N 2 2 308.294 3.193 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150513 622833968 /nfs/dbraw/zinc/83/39/68/622833968.db2.gz FJKPKJHQASZRFA-RYUDHWBXSA-N 2 2 308.294 3.193 20 0 DGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158711 622839827 /nfs/dbraw/zinc/83/98/27/622839827.db2.gz XLJJBULMVUTIMP-HOCLYGCPSA-N 2 2 320.481 3.313 20 0 DGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158711 622839829 /nfs/dbraw/zinc/83/98/29/622839829.db2.gz XLJJBULMVUTIMP-HOCLYGCPSA-N 2 2 320.481 3.313 20 0 DGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158709 622839868 /nfs/dbraw/zinc/83/98/68/622839868.db2.gz XLJJBULMVUTIMP-GDBMZVCRSA-N 2 2 320.481 3.313 20 0 DGADLP CC(C)c1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158709 622839874 /nfs/dbraw/zinc/83/98/74/622839874.db2.gz XLJJBULMVUTIMP-GDBMZVCRSA-N 2 2 320.481 3.313 20 0 DGADLP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158905 622840267 /nfs/dbraw/zinc/84/02/67/622840267.db2.gz ZBEWGTZZCCMJRB-HIFRSBDPSA-N 2 2 324.900 3.193 20 0 DGADLP Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158905 622840273 /nfs/dbraw/zinc/84/02/73/622840273.db2.gz ZBEWGTZZCCMJRB-HIFRSBDPSA-N 2 2 324.900 3.193 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773067241 622976891 /nfs/dbraw/zinc/97/68/91/622976891.db2.gz TYOMPCSJXDLSGF-MNEFBYGVSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773067241 622976894 /nfs/dbraw/zinc/97/68/94/622976894.db2.gz TYOMPCSJXDLSGF-MNEFBYGVSA-N 2 2 324.472 3.287 20 0 DGADLP CS[C@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773096736 622982776 /nfs/dbraw/zinc/98/27/76/622982776.db2.gz XLPCSBQSOGYQNW-CQSZACIVSA-N 2 2 307.507 3.063 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773668779 623058964 /nfs/dbraw/zinc/05/89/64/623058964.db2.gz JCQHCWASHNFWRJ-UHFFFAOYSA-N 2 2 302.809 3.029 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773668779 623058968 /nfs/dbraw/zinc/05/89/68/623058968.db2.gz JCQHCWASHNFWRJ-UHFFFAOYSA-N 2 2 302.809 3.029 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl ZINC000873227753 623083092 /nfs/dbraw/zinc/08/30/92/623083092.db2.gz LVXSJBGQJLKAQA-NEPJUHHUSA-N 2 2 306.759 3.217 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1Cl ZINC000873227753 623083098 /nfs/dbraw/zinc/08/30/98/623083098.db2.gz LVXSJBGQJLKAQA-NEPJUHHUSA-N 2 2 306.759 3.217 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000873236054 623086855 /nfs/dbraw/zinc/08/68/55/623086855.db2.gz WURHLUGYPAXRMB-BBRMVZONSA-N 2 2 315.461 3.000 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000774132559 623110576 /nfs/dbraw/zinc/11/05/76/623110576.db2.gz BOTXHKSEDJXUTN-WFASDCNBSA-N 2 2 319.405 3.028 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000775621536 623297731 /nfs/dbraw/zinc/29/77/31/623297731.db2.gz LGNBIJLCXDCSNF-CQSZACIVSA-N 2 2 324.490 3.125 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C3CCOCC3)cc2)CC1 ZINC000776806156 623465674 /nfs/dbraw/zinc/46/56/74/623465674.db2.gz QISJMEAXBFXHJR-MRXNPFEDSA-N 2 2 317.477 3.056 20 0 DGADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000876735325 623692294 /nfs/dbraw/zinc/69/22/94/623692294.db2.gz DITCYNFVCCUWEX-MAJSYBNXSA-N 2 2 324.428 3.044 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737497 623692505 /nfs/dbraw/zinc/69/25/05/623692505.db2.gz RRXBEKFGDXVDFK-CDNLZTBQSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C=C[C@@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737497 623692509 /nfs/dbraw/zinc/69/25/09/623692509.db2.gz RRXBEKFGDXVDFK-CDNLZTBQSA-N 2 2 324.428 3.188 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000876759431 623698885 /nfs/dbraw/zinc/69/88/85/623698885.db2.gz QDHCZCRNWRUMGG-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000876759431 623698888 /nfs/dbraw/zinc/69/88/88/623698888.db2.gz QDHCZCRNWRUMGG-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP COc1c(C)cnc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1C ZINC000876949301 623751806 /nfs/dbraw/zinc/75/18/06/623751806.db2.gz UMWDSIJKZBWRQQ-UHFFFAOYSA-N 2 2 305.466 3.060 20 0 DGADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)Cc1ccccc1 ZINC000876955762 623754012 /nfs/dbraw/zinc/75/40/12/623754012.db2.gz CDFBGHVUVGZLDT-QZTJIDSGSA-N 2 2 315.461 3.145 20 0 DGADLP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(Cl)cc1O ZINC000877073841 623784408 /nfs/dbraw/zinc/78/44/08/623784408.db2.gz TWMFWQMHIQKTNB-STQMWFEESA-N 2 2 312.841 3.017 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cn1 ZINC000126408862 623830756 /nfs/dbraw/zinc/83/07/56/623830756.db2.gz QVHLZHZZMKURPE-SFHVURJKSA-N 2 2 322.387 3.492 20 0 DGADLP Cc1c(Cl)cccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642565 623974941 /nfs/dbraw/zinc/97/49/41/623974941.db2.gz MRMZKNBXTCXRAV-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1c(Cl)cccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642565 623974947 /nfs/dbraw/zinc/97/49/47/623974947.db2.gz MRMZKNBXTCXRAV-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877741927 624014684 /nfs/dbraw/zinc/01/46/84/624014684.db2.gz BSQBTHXFJVMEGP-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877741927 624014687 /nfs/dbraw/zinc/01/46/87/624014687.db2.gz BSQBTHXFJVMEGP-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877741927 624014692 /nfs/dbraw/zinc/01/46/92/624014692.db2.gz BSQBTHXFJVMEGP-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC ZINC000877741927 624014698 /nfs/dbraw/zinc/01/46/98/624014698.db2.gz BSQBTHXFJVMEGP-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OCC ZINC000877744513 624016083 /nfs/dbraw/zinc/01/60/83/624016083.db2.gz VAAAAWKJSJNDSE-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OCC ZINC000877744513 624016090 /nfs/dbraw/zinc/01/60/90/624016090.db2.gz VAAAAWKJSJNDSE-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1OCC ZINC000877744513 624016093 /nfs/dbraw/zinc/01/60/93/624016093.db2.gz VAAAAWKJSJNDSE-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1OCC ZINC000877744513 624016100 /nfs/dbraw/zinc/01/61/00/624016100.db2.gz VAAAAWKJSJNDSE-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744895 624017070 /nfs/dbraw/zinc/01/70/70/624017070.db2.gz YTNITSZGQHOJHB-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744895 624017074 /nfs/dbraw/zinc/01/70/74/624017074.db2.gz YTNITSZGQHOJHB-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744895 624017080 /nfs/dbraw/zinc/01/70/80/624017080.db2.gz YTNITSZGQHOJHB-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744895 624017083 /nfs/dbraw/zinc/01/70/83/624017083.db2.gz YTNITSZGQHOJHB-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283018 624234978 /nfs/dbraw/zinc/23/49/78/624234978.db2.gz CSHMZVSDUYUNNA-WFASDCNBSA-N 2 2 304.825 3.323 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283018 624234979 /nfs/dbraw/zinc/23/49/79/624234979.db2.gz CSHMZVSDUYUNNA-WFASDCNBSA-N 2 2 304.825 3.323 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000782759326 624281097 /nfs/dbraw/zinc/28/10/97/624281097.db2.gz HSQSNLWBIUNKOB-BEFAXECRSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000782759326 624281099 /nfs/dbraw/zinc/28/10/99/624281099.db2.gz HSQSNLWBIUNKOB-BEFAXECRSA-N 2 2 302.462 3.227 20 0 DGADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000783031957 624302093 /nfs/dbraw/zinc/30/20/93/624302093.db2.gz MQLPEOKQMAQMKW-LJQANCHMSA-N 2 2 313.445 3.109 20 0 DGADLP C[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000783241215 624329180 /nfs/dbraw/zinc/32/91/80/624329180.db2.gz RVDYYGKRRNLMOS-MAUKXSAKSA-N 2 2 321.896 3.240 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@H]2C)CCOCC1)c1ccccc1 ZINC000783244988 624330120 /nfs/dbraw/zinc/33/01/20/624330120.db2.gz JREGIRBQMSODHG-RYRKJORJSA-N 2 2 302.462 3.275 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@H]1C ZINC000783278003 624334713 /nfs/dbraw/zinc/33/47/13/624334713.db2.gz WDHRGGAPYNEFSE-GDBMZVCRSA-N 2 2 303.450 3.048 20 0 DGADLP CCOCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000783443350 624352496 /nfs/dbraw/zinc/35/24/96/624352496.db2.gz FRXVSCAEZYVXOM-UHFFFAOYSA-N 2 2 315.417 3.162 20 0 DGADLP CN(c1ccc([NH2+]CC[C@H]2CCOC2)cc1)C1CC[NH+](C)CC1 ZINC000783580867 624369434 /nfs/dbraw/zinc/36/94/34/624369434.db2.gz IHUDSBOYBKPCAO-INIZCTEOSA-N 2 2 317.477 3.056 20 0 DGADLP C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127478958 624409870 /nfs/dbraw/zinc/40/98/70/624409870.db2.gz HTAYNTORQCNVCH-JLCFBVMHSA-N 2 2 319.474 3.070 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879478149 624563060 /nfs/dbraw/zinc/56/30/60/624563060.db2.gz NVNHCKSEEKMQGP-GOSISDBHSA-N 2 2 301.409 3.314 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879478149 624563065 /nfs/dbraw/zinc/56/30/65/624563065.db2.gz NVNHCKSEEKMQGP-GOSISDBHSA-N 2 2 301.409 3.314 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)on2)cc1 ZINC000879568842 624594921 /nfs/dbraw/zinc/59/49/21/624594921.db2.gz DHFAZBYAEIOZRR-QFBILLFUSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568842 624594925 /nfs/dbraw/zinc/59/49/25/624594925.db2.gz DHFAZBYAEIOZRR-QFBILLFUSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568842 624594928 /nfs/dbraw/zinc/59/49/28/624594928.db2.gz DHFAZBYAEIOZRR-QFBILLFUSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568842 624594931 /nfs/dbraw/zinc/59/49/31/624594931.db2.gz DHFAZBYAEIOZRR-QFBILLFUSA-N 2 2 311.429 3.176 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000879733070 624656211 /nfs/dbraw/zinc/65/62/11/624656211.db2.gz YMBYDBNGXSSPHP-INIZCTEOSA-N 2 2 313.445 3.241 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000879733070 624656213 /nfs/dbraw/zinc/65/62/13/624656213.db2.gz YMBYDBNGXSSPHP-INIZCTEOSA-N 2 2 313.445 3.241 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950224 624728717 /nfs/dbraw/zinc/72/87/17/624728717.db2.gz KDLVYKOFCNGHDK-UHFFFAOYSA-N 3 2 318.509 3.312 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141375 624804165 /nfs/dbraw/zinc/80/41/65/624804165.db2.gz ICMZSZIVQDQWPT-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141375 624804174 /nfs/dbraw/zinc/80/41/74/624804174.db2.gz ICMZSZIVQDQWPT-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000880141375 624804181 /nfs/dbraw/zinc/80/41/81/624804181.db2.gz ICMZSZIVQDQWPT-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C)c1ccccc1 ZINC000880141375 624804186 /nfs/dbraw/zinc/80/41/86/624804186.db2.gz ICMZSZIVQDQWPT-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203984 624838458 /nfs/dbraw/zinc/83/84/58/624838458.db2.gz JGNSQXYPTJEJJQ-HXUWFJFHSA-N 2 2 316.489 3.025 20 0 DGADLP CCc1ccccc1CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203984 624838459 /nfs/dbraw/zinc/83/84/59/624838459.db2.gz JGNSQXYPTJEJJQ-HXUWFJFHSA-N 2 2 316.489 3.025 20 0 DGADLP c1cn(CCC[N@@H+]2CCCSC[C@@H]2c2ccccc2)c[nH+]1 ZINC000880387376 624947742 /nfs/dbraw/zinc/94/77/42/624947742.db2.gz IIGRZMFQPBPXMR-QGZVFWFLSA-N 2 2 301.459 3.453 20 0 DGADLP c1cn(CCC[N@H+]2CCCSC[C@@H]2c2ccccc2)c[nH+]1 ZINC000880387376 624947745 /nfs/dbraw/zinc/94/77/45/624947745.db2.gz IIGRZMFQPBPXMR-QGZVFWFLSA-N 2 2 301.459 3.453 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000880474749 624964712 /nfs/dbraw/zinc/96/47/12/624964712.db2.gz LVMUUPKBNDSVCX-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP Cc1noc(C)c1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568812 624979232 /nfs/dbraw/zinc/97/92/32/624979232.db2.gz DBXSIHYWCBEMQY-GOSISDBHSA-N 2 2 310.401 3.062 20 0 DGADLP c1cn(C[C@H]([NH2+]CCCC2CCOCC2)c2ccccc2)c[nH+]1 ZINC000880569614 624979281 /nfs/dbraw/zinc/97/92/81/624979281.db2.gz MQTIYLPENIHZQU-IBGZPJMESA-N 2 2 313.445 3.421 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1N ZINC000882910534 625855113 /nfs/dbraw/zinc/85/51/13/625855113.db2.gz UXSYETSNJDTFMH-AWEZNQCLSA-N 2 2 306.841 3.323 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1C ZINC000882934914 625864654 /nfs/dbraw/zinc/86/46/54/625864654.db2.gz YAVNBXUXKUDVIS-AWEZNQCLSA-N 2 2 315.461 3.381 20 0 DGADLP CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000792257754 625931274 /nfs/dbraw/zinc/93/12/74/625931274.db2.gz BMJSCGWKNNUAOT-SFHVURJKSA-N 2 2 315.417 3.002 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193797 625965478 /nfs/dbraw/zinc/96/54/78/625965478.db2.gz GHQCLHGJGBSOGH-HNAYVOBHSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193797 625965479 /nfs/dbraw/zinc/96/54/79/625965479.db2.gz GHQCLHGJGBSOGH-HNAYVOBHSA-N 2 2 320.452 3.367 20 0 DGADLP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000796486038 626055680 /nfs/dbraw/zinc/05/56/80/626055680.db2.gz PHTWYVQQLWJZJD-UZLBHIALSA-N 2 2 321.424 3.392 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000796766267 626080539 /nfs/dbraw/zinc/08/05/39/626080539.db2.gz UOBJTDBKKHDNCG-VDGAXYAQSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000796766267 626080542 /nfs/dbraw/zinc/08/05/42/626080542.db2.gz UOBJTDBKKHDNCG-VDGAXYAQSA-N 2 2 316.489 3.399 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255000 626625628 /nfs/dbraw/zinc/62/56/28/626625628.db2.gz IMQMVQUNEKZUPI-GOEBONIOSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255000 626625630 /nfs/dbraw/zinc/62/56/30/626625630.db2.gz IMQMVQUNEKZUPI-GOEBONIOSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]([NH2+]CC(F)(F)c1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000883283990 626636660 /nfs/dbraw/zinc/63/66/60/626636660.db2.gz BAPKIUJEDWEMLY-LLVKDONJSA-N 2 2 318.358 3.377 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCOC1 ZINC000883353517 626657279 /nfs/dbraw/zinc/65/72/79/626657279.db2.gz WMYCOKKUJCGVSL-BBRMVZONSA-N 2 2 305.447 3.229 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(CO)c1 ZINC000883386219 626668809 /nfs/dbraw/zinc/66/88/09/626668809.db2.gz BUHGECNWJPYIMJ-JXFKEZNVSA-N 2 2 321.424 3.468 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388046 626669314 /nfs/dbraw/zinc/66/93/14/626669314.db2.gz LCIQBGKZXGLBFJ-MJGOQNOKSA-N 2 2 321.428 3.025 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883398492 626673073 /nfs/dbraw/zinc/67/30/73/626673073.db2.gz OBBLTMBRQUNVAN-GOSISDBHSA-N 2 2 309.417 3.192 20 0 DGADLP CC(C)C(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000808759633 626859331 /nfs/dbraw/zinc/85/93/31/626859331.db2.gz TUFCMEYVOPEVQQ-FQEVSTJZSA-N 2 2 314.473 3.200 20 0 DGADLP CC(C)C(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000808759633 626859333 /nfs/dbraw/zinc/85/93/33/626859333.db2.gz TUFCMEYVOPEVQQ-FQEVSTJZSA-N 2 2 314.473 3.200 20 0 DGADLP CC(C)C(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000808759633 626859335 /nfs/dbraw/zinc/85/93/35/626859335.db2.gz TUFCMEYVOPEVQQ-FQEVSTJZSA-N 2 2 314.473 3.200 20 0 DGADLP CC(C)C(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000808759633 626859336 /nfs/dbraw/zinc/85/93/36/626859336.db2.gz TUFCMEYVOPEVQQ-FQEVSTJZSA-N 2 2 314.473 3.200 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC000810253533 626992816 /nfs/dbraw/zinc/99/28/16/626992816.db2.gz WEIOGMMMSZWKAE-QFBILLFUSA-N 2 2 311.429 3.025 20 0 DGADLP FC(F)COc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000885926903 627061870 /nfs/dbraw/zinc/06/18/70/627061870.db2.gz JWZRCBOHFAEZQC-UHFFFAOYSA-N 2 2 324.415 3.295 20 0 DGADLP Cc1coc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000885999282 627079120 /nfs/dbraw/zinc/07/91/20/627079120.db2.gz GZRMFWFAAOBVCA-UHFFFAOYSA-N 2 2 313.445 3.413 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000885999880 627079641 /nfs/dbraw/zinc/07/96/41/627079641.db2.gz OZNBNIBGZPTVGC-RBUKOAKNSA-N 2 2 316.489 3.023 20 0 DGADLP COc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(F)c1OC ZINC000886062314 627096953 /nfs/dbraw/zinc/09/69/53/627096953.db2.gz MIGUKUMEIBKOGL-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@H]3CCC4(CCC4)CO3)CC2)[nH+]c1 ZINC000886094402 627101933 /nfs/dbraw/zinc/10/19/33/627101933.db2.gz QUHGUIAQHGFDCV-QGZVFWFLSA-N 2 2 315.461 3.307 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3CC[C@@H](C4CC4)O3)CC2)c[nH+]1 ZINC000886122502 627108943 /nfs/dbraw/zinc/10/89/43/627108943.db2.gz CFWAPKMSISEVTK-OALUTQOASA-N 2 2 317.477 3.333 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164398 627115823 /nfs/dbraw/zinc/11/58/23/627115823.db2.gz JVUBPFWDZBECFJ-WSTLGDPDSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164398 627115825 /nfs/dbraw/zinc/11/58/25/627115825.db2.gz JVUBPFWDZBECFJ-WSTLGDPDSA-N 2 2 313.489 3.318 20 0 DGADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000886594268 627169365 /nfs/dbraw/zinc/16/93/65/627169365.db2.gz JAAHIBLNOYSKKT-DYVFJYSZSA-N 2 2 324.403 3.486 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3ccnc(Cl)c3)CC2)[nH+]c1C ZINC000886666429 627184185 /nfs/dbraw/zinc/18/41/85/627184185.db2.gz SMMVTJRHZSGGMW-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000886710643 627195906 /nfs/dbraw/zinc/19/59/06/627195906.db2.gz CHMRUYGXBCODNC-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)nc1Cl ZINC000887136532 627228085 /nfs/dbraw/zinc/22/80/85/627228085.db2.gz WGDAIDXLGYVYCA-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)nc1Cl ZINC000887136532 627228086 /nfs/dbraw/zinc/22/80/86/627228086.db2.gz WGDAIDXLGYVYCA-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)nc1Cl ZINC000887136533 627228153 /nfs/dbraw/zinc/22/81/53/627228153.db2.gz WGDAIDXLGYVYCA-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)nc1Cl ZINC000887136533 627228154 /nfs/dbraw/zinc/22/81/54/627228154.db2.gz WGDAIDXLGYVYCA-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc[nH]1 ZINC000812840175 627427477 /nfs/dbraw/zinc/42/74/77/627427477.db2.gz FQFFANKXTLLKNB-OAHLLOKOSA-N 2 2 312.461 3.400 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000813861845 627516681 /nfs/dbraw/zinc/51/66/81/627516681.db2.gz BKOSRSXTAXTGHF-HDMKZQKVSA-N 2 2 317.477 3.294 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000814294003 627557083 /nfs/dbraw/zinc/55/70/83/627557083.db2.gz HGDXLRASNITGBZ-HJUDDPQBSA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000814294003 627557085 /nfs/dbraw/zinc/55/70/85/627557085.db2.gz HGDXLRASNITGBZ-HJUDDPQBSA-N 2 2 302.462 3.310 20 0 DGADLP Clc1cccc2c1[C@H]([NH2+]CCCCn1cc[nH+]c1)COC2 ZINC000924733345 627675340 /nfs/dbraw/zinc/67/53/40/627675340.db2.gz SQNCSLIRYXUKNV-OAHLLOKOSA-N 2 2 305.809 3.178 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000924751562 627676345 /nfs/dbraw/zinc/67/63/45/627676345.db2.gz KTHOWTHVAFKMSJ-XJKSGUPXSA-N 2 2 308.853 3.233 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000924751562 627676347 /nfs/dbraw/zinc/67/63/47/627676347.db2.gz KTHOWTHVAFKMSJ-XJKSGUPXSA-N 2 2 308.853 3.233 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c[nH+]1 ZINC000924769571 627677696 /nfs/dbraw/zinc/67/76/96/627677696.db2.gz KARMVMDAVTZKTI-HKUYNNGSSA-N 2 2 311.429 3.167 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c[nH+]1 ZINC000924768565 627678080 /nfs/dbraw/zinc/67/80/80/627678080.db2.gz HBHHFWJRQIAZDS-MJGOQNOKSA-N 2 2 311.429 3.167 20 0 DGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889629 627690624 /nfs/dbraw/zinc/69/06/24/627690624.db2.gz PDZXBRLZZOCZEY-CLCXKQKWSA-N 2 2 321.509 3.415 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)[nH+]c1 ZINC000924928519 627694948 /nfs/dbraw/zinc/69/49/48/627694948.db2.gz XKXYPQMQHRONJQ-SJLPKXTDSA-N 2 2 303.450 3.069 20 0 DGADLP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000925075740 627706010 /nfs/dbraw/zinc/70/60/10/627706010.db2.gz SWTCESQZZQMESX-MRXNPFEDSA-N 2 2 317.408 3.351 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]2CCOC2)cc1 ZINC000925297556 627728414 /nfs/dbraw/zinc/72/84/14/627728414.db2.gz GYYQYTFDTWIQMX-WTGUMLROSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]2CCOC2)cc1 ZINC000925297556 627728417 /nfs/dbraw/zinc/72/84/17/627728417.db2.gz GYYQYTFDTWIQMX-WTGUMLROSA-N 2 2 314.473 3.371 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OC)n1 ZINC000925308922 627729140 /nfs/dbraw/zinc/72/91/40/627729140.db2.gz UFMJBIINCKTXMU-OAHLLOKOSA-N 2 2 305.466 3.394 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc2c1OCO2 ZINC000925307082 627729160 /nfs/dbraw/zinc/72/91/60/627729160.db2.gz KYOAGYLLMHMYST-ZDUSSCGKSA-N 2 2 304.434 3.329 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000925406539 627734128 /nfs/dbraw/zinc/73/41/28/627734128.db2.gz FVNAGTWGCDVKRO-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP CCCOCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925479152 627741033 /nfs/dbraw/zinc/74/10/33/627741033.db2.gz XUQORSJCCSWLBM-GOSISDBHSA-N 2 2 302.462 3.378 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925508032 627744161 /nfs/dbraw/zinc/74/41/61/627744161.db2.gz CVDIURYMQDTSNN-UXHICEINSA-N 2 2 324.472 3.130 20 0 DGADLP COc1cccc(O[C@H](C)C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925513040 627744919 /nfs/dbraw/zinc/74/49/19/627744919.db2.gz HCSUHONRGXWLGO-VCBZYWHSSA-N 2 2 314.429 3.141 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)nc2c1 ZINC000925527568 627747974 /nfs/dbraw/zinc/74/79/74/627747974.db2.gz OKXOLBNYBSJKOR-HZPDHXFCSA-N 2 2 312.461 3.129 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)[nH]c2c1 ZINC000925527568 627747977 /nfs/dbraw/zinc/74/79/77/627747977.db2.gz OKXOLBNYBSJKOR-HZPDHXFCSA-N 2 2 312.461 3.129 20 0 DGADLP C[C@@H]([NH3+])[C@@H](NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000925531839 627749055 /nfs/dbraw/zinc/74/90/55/627749055.db2.gz BBXJVCWMILCIKU-OXQOHEQNSA-N 2 2 320.440 3.110 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000925552045 627752904 /nfs/dbraw/zinc/75/29/04/627752904.db2.gz FZLOZOJENFDGAD-XAMWDVODSA-N 2 2 312.457 3.219 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1C(F)(F)F ZINC000925571430 627756789 /nfs/dbraw/zinc/75/67/89/627756789.db2.gz HTMVLNFZWJNQSV-AKXRQVIESA-N 2 2 310.363 3.352 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1 ZINC000925596614 627760660 /nfs/dbraw/zinc/76/06/60/627760660.db2.gz XXRKOZQBPSNIAW-YVEFUNNKSA-N 2 2 306.356 3.022 20 0 DGADLP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccccc2)cc1 ZINC000925638756 627767071 /nfs/dbraw/zinc/76/70/71/627767071.db2.gz GQEUYBXROKIHNE-WOJBJXKFSA-N 2 2 322.452 3.261 20 0 DGADLP COc1ccccc1[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC(C)C ZINC000925640912 627767468 /nfs/dbraw/zinc/76/74/68/627767468.db2.gz KHDZHAVKVABFPC-QZTJIDSGSA-N 2 2 318.461 3.036 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccccc1 ZINC000925640630 627767720 /nfs/dbraw/zinc/76/77/20/627767720.db2.gz UMIAQKALLGMGRH-KKXDTOCCSA-N 2 2 318.848 3.226 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925647866 627769550 /nfs/dbraw/zinc/76/95/50/627769550.db2.gz JNEOERJIIPGBAH-KCXAZCMYSA-N 2 2 308.853 3.290 20 0 DGADLP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1cccc2ccccc21 ZINC000925713358 627780532 /nfs/dbraw/zinc/78/05/32/627780532.db2.gz VFVPPVNHISKQTL-MOPGFXCFSA-N 2 2 310.441 3.138 20 0 DGADLP Cc1ccc([C@H](C2CC2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925747294 627786808 /nfs/dbraw/zinc/78/68/08/627786808.db2.gz HDWQHPGNPKDSMZ-GOSISDBHSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1ccc([C@H](C2CC2)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925747294 627786812 /nfs/dbraw/zinc/78/68/12/627786812.db2.gz HDWQHPGNPKDSMZ-GOSISDBHSA-N 2 2 313.470 3.420 20 0 DGADLP CC[C@H](c1cccc(C)c1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925753034 627788368 /nfs/dbraw/zinc/78/83/68/627788368.db2.gz ZPJVQDCCLRXAHP-OAHLLOKOSA-N 2 2 301.459 3.420 20 0 DGADLP CC[C@H](c1cccc(C)c1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925753034 627788371 /nfs/dbraw/zinc/78/83/71/627788371.db2.gz ZPJVQDCCLRXAHP-OAHLLOKOSA-N 2 2 301.459 3.420 20 0 DGADLP Cc1cc(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]c1C ZINC000925769716 627791794 /nfs/dbraw/zinc/79/17/94/627791794.db2.gz POSZTLUEDDDUTO-IEBWSBKVSA-N 2 2 309.413 3.366 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CCCC2 ZINC000925770886 627792403 /nfs/dbraw/zinc/79/24/03/627792403.db2.gz XHKSENMUAWYGDA-XYPHTWIQSA-N 2 2 318.461 3.201 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792628 627796405 /nfs/dbraw/zinc/79/64/05/627796405.db2.gz GQGFJOMJDQRDMN-MSOLQXFVSA-N 2 2 316.489 3.421 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925795876 627796647 /nfs/dbraw/zinc/79/66/47/627796647.db2.gz QRUKZXMZABOHTB-BBRMVZONSA-N 2 2 308.853 3.149 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc2ncccc2c1)c1ccccc1 ZINC000925815522 627799736 /nfs/dbraw/zinc/79/97/36/627799736.db2.gz XSENJXCPODMNRS-YWZLYKJASA-N 2 2 305.425 3.455 20 0 DGADLP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1nc2c(s1)CCCC2 ZINC000925833030 627802328 /nfs/dbraw/zinc/80/23/28/627802328.db2.gz QAXOVBZIZSXYDV-CABCVRRESA-N 2 2 319.518 3.280 20 0 DGADLP COCC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccco1 ZINC000926114333 627845529 /nfs/dbraw/zinc/84/55/29/627845529.db2.gz DVKDJXFFLNZENG-KRWDZBQOSA-N 2 2 308.466 3.457 20 0 DGADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ncccc1Cl ZINC000926231290 627867307 /nfs/dbraw/zinc/86/73/07/627867307.db2.gz ZFSWPWRAGGZBDM-GXTWGEPZSA-N 2 2 304.825 3.377 20 0 DGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000926518258 627908303 /nfs/dbraw/zinc/90/83/03/627908303.db2.gz JVPMMFBUHIDEBI-IAGOWNOFSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000926518258 627908305 /nfs/dbraw/zinc/90/83/05/627908305.db2.gz JVPMMFBUHIDEBI-IAGOWNOFSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](c2ccccc2F)[C@@H](C)O)CC1 ZINC000926644200 627926700 /nfs/dbraw/zinc/92/67/00/627926700.db2.gz KGKGKDQJCXLXOF-BEFAXECRSA-N 2 2 322.468 3.348 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676089 627930875 /nfs/dbraw/zinc/93/08/75/627930875.db2.gz SXNBCBZNOFNCPV-FFZOFVMBSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676089 627930876 /nfs/dbraw/zinc/93/08/76/627930876.db2.gz SXNBCBZNOFNCPV-FFZOFVMBSA-N 3 2 315.505 3.416 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714809 627938721 /nfs/dbraw/zinc/93/87/21/627938721.db2.gz HTIGIOUFAOOIJH-LEWJYISDSA-N 2 2 323.484 3.309 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714809 627938724 /nfs/dbraw/zinc/93/87/24/627938724.db2.gz HTIGIOUFAOOIJH-LEWJYISDSA-N 2 2 323.484 3.309 20 0 DGADLP COc1ccc([C@H]([NH2+]CC(C)(C)SC)[C@H]2CCC[NH2+]2)cc1 ZINC000817898031 627955515 /nfs/dbraw/zinc/95/55/15/627955515.db2.gz BQIBSQXPKCURDR-CVEARBPZSA-N 2 2 308.491 3.220 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805009 627958219 /nfs/dbraw/zinc/95/82/19/627958219.db2.gz LVKBEQYDGLPODB-FHWLQOOXSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817905779 627958248 /nfs/dbraw/zinc/95/82/48/627958248.db2.gz SXLDOHLLLAHFSH-NZVBXONLSA-N 2 2 317.260 3.147 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805009 627958221 /nfs/dbraw/zinc/95/82/21/627958221.db2.gz LVKBEQYDGLPODB-FHWLQOOXSA-N 2 2 308.510 3.434 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817905570 627958319 /nfs/dbraw/zinc/95/83/19/627958319.db2.gz OWBNHHLLGXHKKA-SOUVJXGZSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817919757 627961331 /nfs/dbraw/zinc/96/13/31/627961331.db2.gz VUUYWPAZHXTLJQ-BILRFKGYSA-N 2 2 317.260 3.145 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc12 ZINC000926885798 627970170 /nfs/dbraw/zinc/97/01/70/627970170.db2.gz QGCPGYCZBATHOH-MSOLQXFVSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc12 ZINC000926885798 627970171 /nfs/dbraw/zinc/97/01/71/627970171.db2.gz QGCPGYCZBATHOH-MSOLQXFVSA-N 2 2 311.429 3.047 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cnn1-c1ccccc1 ZINC000817960493 627976249 /nfs/dbraw/zinc/97/62/49/627976249.db2.gz ZSNBGYRKLBWOJT-HOCLYGCPSA-N 2 2 300.450 3.205 20 0 DGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@H]2C1 ZINC000818329922 628013657 /nfs/dbraw/zinc/01/36/57/628013657.db2.gz ILDBVGPNBSFBNL-UTSKFRMZSA-N 2 2 305.466 3.091 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138672 628023944 /nfs/dbraw/zinc/02/39/44/628023944.db2.gz GGOIXHHJLNLHNT-HUBLWGQQSA-N 2 2 308.853 3.408 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138672 628023949 /nfs/dbraw/zinc/02/39/49/628023949.db2.gz GGOIXHHJLNLHNT-HUBLWGQQSA-N 2 2 308.853 3.408 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)C2CC2)CCCC1)c1ccccc1 ZINC000819066084 628085584 /nfs/dbraw/zinc/08/55/84/628085584.db2.gz TWOUTGQBWKZGTL-YJBOKZPZSA-N 2 2 302.462 3.011 20 0 DGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000827599561 628975407 /nfs/dbraw/zinc/97/54/07/628975407.db2.gz IBSVFWZUWNYSNP-HZPDHXFCSA-N 2 2 312.417 3.020 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000827599560 628975452 /nfs/dbraw/zinc/97/54/52/628975452.db2.gz IBSVFWZUWNYSNP-HOTGVXAUSA-N 2 2 312.417 3.020 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000827706859 628984273 /nfs/dbraw/zinc/98/42/73/628984273.db2.gz MPXKLZWKZSRNDT-QRQLOZEOSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000827706859 628984275 /nfs/dbraw/zinc/98/42/75/628984275.db2.gz MPXKLZWKZSRNDT-QRQLOZEOSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cc(C)c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c(C)[nH+]1 ZINC000834764740 629775290 /nfs/dbraw/zinc/77/52/90/629775290.db2.gz KNKMMUZSQIXVRH-UHFFFAOYSA-N 2 2 315.461 3.144 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000834830308 629786221 /nfs/dbraw/zinc/78/62/21/629786221.db2.gz BQKXAPKCMOGXLS-RDGPPVDQSA-N 2 2 322.456 3.113 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000834830308 629786224 /nfs/dbraw/zinc/78/62/24/629786224.db2.gz BQKXAPKCMOGXLS-RDGPPVDQSA-N 2 2 322.456 3.113 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843359615 630649682 /nfs/dbraw/zinc/64/96/82/630649682.db2.gz OJAZOFAZDXAFMV-CABCVRRESA-N 2 2 324.900 3.247 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843359615 630649685 /nfs/dbraw/zinc/64/96/85/630649685.db2.gz OJAZOFAZDXAFMV-CABCVRRESA-N 2 2 324.900 3.247 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncc(-c2ccccc2F)o1 ZINC000844220979 630712776 /nfs/dbraw/zinc/71/27/76/630712776.db2.gz FPHSORZFOIIDPN-AGUYFDCRSA-N 2 2 315.392 3.325 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncc(-c2ccccc2F)o1 ZINC000844220979 630712777 /nfs/dbraw/zinc/71/27/77/630712777.db2.gz FPHSORZFOIIDPN-AGUYFDCRSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000846104652 631209561 /nfs/dbraw/zinc/20/95/61/631209561.db2.gz JTVCEPWJJMNLKA-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000846104652 631209562 /nfs/dbraw/zinc/20/95/62/631209562.db2.gz JTVCEPWJJMNLKA-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(Cl)n1C)[N@H+](C)Cc1ccccc1 ZINC000848540245 631685321 /nfs/dbraw/zinc/68/53/21/631685321.db2.gz MSXAZGBFRGURTO-AWEZNQCLSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(Cl)n1C)[N@@H+](C)Cc1ccccc1 ZINC000848540245 631685329 /nfs/dbraw/zinc/68/53/29/631685329.db2.gz MSXAZGBFRGURTO-AWEZNQCLSA-N 2 2 320.868 3.074 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575436 631701828 /nfs/dbraw/zinc/70/18/28/631701828.db2.gz QQFSCCWIKYGGIE-QZTJIDSGSA-N 2 2 302.462 3.021 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575436 631701829 /nfs/dbraw/zinc/70/18/29/631701829.db2.gz QQFSCCWIKYGGIE-QZTJIDSGSA-N 2 2 302.462 3.021 20 0 DGADLP Cc1cccc(NC(=[NH2+])NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000849055443 631821242 /nfs/dbraw/zinc/82/12/42/631821242.db2.gz YAFMHCKAPSKJBX-UHFFFAOYSA-N 2 2 319.412 3.376 20 0 DGADLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000849070540 631826082 /nfs/dbraw/zinc/82/60/82/631826082.db2.gz WTGGRHUJBSPUOF-OAHLLOKOSA-N 2 2 305.470 3.212 20 0 DGADLP [NH2+]=C(NCCCCNc1cccc[nH+]1)Nc1cc(F)ccc1F ZINC000849079252 631828693 /nfs/dbraw/zinc/82/86/93/631828693.db2.gz CFOBIOZOHKEJFQ-UHFFFAOYSA-N 2 2 319.359 3.188 20 0 DGADLP C[C@H]1CCCN(C(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000849091453 631832245 /nfs/dbraw/zinc/83/22/45/631832245.db2.gz GNXYGEXMOVVZTO-BBRMVZONSA-N 2 2 322.884 3.199 20 0 DGADLP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000849091455 631832929 /nfs/dbraw/zinc/83/29/29/631832929.db2.gz GNXYGEXMOVVZTO-CZUORRHYSA-N 2 2 322.884 3.199 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@]3(C)CC3(C)C)CC2)cc1 ZINC000850400069 632139587 /nfs/dbraw/zinc/13/95/87/632139587.db2.gz YNFHRMQTRVXIRQ-IBGZPJMESA-N 2 2 301.478 3.500 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]CC(C)C)CC2)c(C)[nH+]1 ZINC001034696909 660784147 /nfs/dbraw/zinc/78/41/47/660784147.db2.gz XZWSJUOOFAIXLV-QAQDUYKDSA-N 2 2 317.477 3.293 20 0 DGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000328400254 656058812 /nfs/dbraw/zinc/05/88/12/656058812.db2.gz DOFYZZRPHXUEBP-DGARUKMUSA-N 2 2 300.446 3.121 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261634470 656937062 /nfs/dbraw/zinc/93/70/62/656937062.db2.gz IAJDOJZDPCCJPU-JSGCOSHPSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261634470 656937067 /nfs/dbraw/zinc/93/70/67/656937067.db2.gz IAJDOJZDPCCJPU-JSGCOSHPSA-N 2 2 316.392 3.482 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000067500509 657586707 /nfs/dbraw/zinc/58/67/07/657586707.db2.gz BRBZHSGHXWRFBV-OAHLLOKOSA-N 2 2 317.433 3.106 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]C(C)C)c(C)[nH+]1 ZINC001037216165 657607465 /nfs/dbraw/zinc/60/74/65/657607465.db2.gz QFTVBIJMGVESGH-SJORKVTESA-N 2 2 317.477 3.293 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253191542 657663996 /nfs/dbraw/zinc/66/39/96/657663996.db2.gz MEHDYDDLWCWLQK-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253191542 657664000 /nfs/dbraw/zinc/66/40/00/657664000.db2.gz MEHDYDDLWCWLQK-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC000253195795 657664081 /nfs/dbraw/zinc/66/40/81/657664081.db2.gz RZIHXZJOGQTAMN-DGCLKSJQSA-N 2 2 302.340 3.002 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC000253195795 657664086 /nfs/dbraw/zinc/66/40/86/657664086.db2.gz RZIHXZJOGQTAMN-DGCLKSJQSA-N 2 2 302.340 3.002 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305116393 657682457 /nfs/dbraw/zinc/68/24/57/657682457.db2.gz ICILIISSWSEVGR-SUMWQHHRSA-N 2 2 313.426 3.318 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1NCCC2 ZINC000321211583 658099963 /nfs/dbraw/zinc/09/99/63/658099963.db2.gz WVNSAJXFEIROLM-KRWDZBQOSA-N 2 2 312.461 3.446 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cnn(-c2ccccc2)c1 ZINC000322397104 658506256 /nfs/dbraw/zinc/50/62/56/658506256.db2.gz SPEGNSDWKANLFJ-MRXNPFEDSA-N 2 2 309.417 3.200 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001019171832 658613232 /nfs/dbraw/zinc/61/32/32/658613232.db2.gz RUTYLVRHUKEGGC-KRWDZBQOSA-N 2 2 315.461 3.001 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2)c[nH+]1 ZINC000171051524 659257320 /nfs/dbraw/zinc/25/73/20/659257320.db2.gz NISCHEIYSJOXTA-UHFFFAOYSA-N 2 2 317.392 3.438 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644550 661324051 /nfs/dbraw/zinc/32/40/51/661324051.db2.gz SRDDYJZAZPVWPI-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644550 661324053 /nfs/dbraw/zinc/32/40/53/661324053.db2.gz SRDDYJZAZPVWPI-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644550 661324056 /nfs/dbraw/zinc/32/40/56/661324056.db2.gz SRDDYJZAZPVWPI-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)nn1 ZINC000929644550 661324058 /nfs/dbraw/zinc/32/40/58/661324058.db2.gz SRDDYJZAZPVWPI-WMZOPIPTSA-N 2 2 316.493 3.180 20 0 DGADLP CCc1onc(C)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930128493 661369061 /nfs/dbraw/zinc/36/90/61/661369061.db2.gz DWFUEZGCTJQSDT-UHFFFAOYSA-N 2 2 300.406 3.017 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600741 661414360 /nfs/dbraw/zinc/41/43/60/661414360.db2.gz AQBGVUBJZXJVLY-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600741 661414362 /nfs/dbraw/zinc/41/43/62/661414362.db2.gz AQBGVUBJZXJVLY-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600741 661414365 /nfs/dbraw/zinc/41/43/65/661414365.db2.gz AQBGVUBJZXJVLY-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600741 661414366 /nfs/dbraw/zinc/41/43/66/661414366.db2.gz AQBGVUBJZXJVLY-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287373 661464188 /nfs/dbraw/zinc/46/41/88/661464188.db2.gz XEJXEKYDZSOIJK-UHFFFAOYSA-N 2 2 320.502 3.095 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287373 661464190 /nfs/dbraw/zinc/46/41/90/661464190.db2.gz XEJXEKYDZSOIJK-UHFFFAOYSA-N 2 2 320.502 3.095 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](CCCc3c(F)cccc3F)C[C@@]2(C)C1 ZINC000931318965 661466793 /nfs/dbraw/zinc/46/67/93/661466793.db2.gz WCFUBGMZZPRCRB-QZTJIDSGSA-N 2 2 308.416 3.171 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000931470063 661480298 /nfs/dbraw/zinc/48/02/98/661480298.db2.gz AQOYTEGDQJVNOA-HNNXBMFYSA-N 2 2 318.461 3.017 20 0 DGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511102 661483868 /nfs/dbraw/zinc/48/38/68/661483868.db2.gz JYVSMRIDYAJJMW-NSHDSACASA-N 2 2 319.355 3.385 20 0 DGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511102 661483869 /nfs/dbraw/zinc/48/38/69/661483869.db2.gz JYVSMRIDYAJJMW-NSHDSACASA-N 2 2 319.355 3.385 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)O1 ZINC000931707315 661500151 /nfs/dbraw/zinc/50/01/51/661500151.db2.gz PUWAOAAGCKFDPY-VUHPKUFZSA-N 2 2 313.445 3.418 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)Cc1cccnc1 ZINC000934231492 661690222 /nfs/dbraw/zinc/69/02/22/661690222.db2.gz UGKFJGMCBSHZBA-MRXNPFEDSA-N 2 2 306.413 3.297 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000191287024 662058720 /nfs/dbraw/zinc/05/87/20/662058720.db2.gz SYVZTFFRFZCQLO-MNOVXSKESA-N 2 2 300.805 3.147 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000192664262 662107362 /nfs/dbraw/zinc/10/73/62/662107362.db2.gz QRZYPHSLOKFBTD-BEFAXECRSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608744 1191854279 /nfs/dbraw/zinc/85/42/79/1191854279.db2.gz WXICYXPJUAUXPG-CZUORRHYSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608744 1191854284 /nfs/dbraw/zinc/85/42/84/1191854284.db2.gz WXICYXPJUAUXPG-CZUORRHYSA-N 2 2 315.392 3.325 20 0 DGADLP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC001577043492 1191881478 /nfs/dbraw/zinc/88/14/78/1191881478.db2.gz HPOZTYUJWROOLO-UHOFOFEASA-N 2 2 312.404 3.103 20 0 DGADLP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC001577043492 1191881481 /nfs/dbraw/zinc/88/14/81/1191881481.db2.gz HPOZTYUJWROOLO-UHOFOFEASA-N 2 2 312.404 3.103 20 0 DGADLP CCSCc1ccc[nH+]c1N[C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001578218417 1191932506 /nfs/dbraw/zinc/93/25/06/1191932506.db2.gz IUCMQLMVVUBRJM-OAHLLOKOSA-N 2 2 321.490 3.048 20 0 DGADLP CN(C)c1[nH+]ccc2cc(NC(=O)c3ccc(C[NH3+])cc3)ccc21 ZINC001578431913 1191942540 /nfs/dbraw/zinc/94/25/40/1191942540.db2.gz CZWAWXAVTMRWJL-UHFFFAOYSA-N 2 2 320.396 3.012 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212625 1191969432 /nfs/dbraw/zinc/96/94/32/1191969432.db2.gz HHFHJQZCZMSROH-BEFAXECRSA-N 2 2 302.462 3.306 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212625 1191969434 /nfs/dbraw/zinc/96/94/34/1191969434.db2.gz HHFHJQZCZMSROH-BEFAXECRSA-N 2 2 302.462 3.306 20 0 DGADLP COc1ccccc1OCC[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579309518 1191973712 /nfs/dbraw/zinc/97/37/12/1191973712.db2.gz GQUZNAWBHXXUDD-HNNXBMFYSA-N 2 2 308.466 3.159 20 0 DGADLP COc1ccccc1OCC[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC001579309518 1191973714 /nfs/dbraw/zinc/97/37/14/1191973714.db2.gz GQUZNAWBHXXUDD-HNNXBMFYSA-N 2 2 308.466 3.159 20 0 DGADLP Cc1c2cccc(Cl)c2sc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC001579531831 1191978441 /nfs/dbraw/zinc/97/84/41/1191978441.db2.gz CBFFZUXAWPCKBP-GFCCVEGCSA-N 2 2 324.877 3.413 20 0 DGADLP Cc1c2cccc(Cl)c2sc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC001579531831 1191978442 /nfs/dbraw/zinc/97/84/42/1191978442.db2.gz CBFFZUXAWPCKBP-GFCCVEGCSA-N 2 2 324.877 3.413 20 0 DGADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cc1 ZINC001579669389 1191985518 /nfs/dbraw/zinc/98/55/18/1191985518.db2.gz QJAMTUAIMPEJPQ-SFHVURJKSA-N 2 2 320.396 3.128 20 0 DGADLP Clc1ccc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)nc2c1 ZINC001579938981 1192000348 /nfs/dbraw/zinc/00/03/48/1192000348.db2.gz QHOPHUMYVRBFJA-UHFFFAOYSA-N 2 2 301.821 3.216 20 0 DGADLP [NH3+]C[C@]12C[N@H+](Cc3cncc(C(F)(F)F)c3)C[C@H]1CCCC2 ZINC001580254435 1192016063 /nfs/dbraw/zinc/01/60/63/1192016063.db2.gz CJCDLSYWVMSGDO-UKRRQHHQSA-N 2 2 313.367 3.051 20 0 DGADLP [NH3+]C[C@]12C[N@@H+](Cc3cncc(C(F)(F)F)c3)C[C@H]1CCCC2 ZINC001580254435 1192016064 /nfs/dbraw/zinc/01/60/64/1192016064.db2.gz CJCDLSYWVMSGDO-UKRRQHHQSA-N 2 2 313.367 3.051 20 0 DGADLP [NH3+]CC12CCC(CC1)[N@@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC001580249840 1192016224 /nfs/dbraw/zinc/01/62/24/1192016224.db2.gz CWVQMYPQKDEKEB-UHFFFAOYSA-N 2 2 323.440 3.116 20 0 DGADLP [NH3+]CC12CCC(CC1)[N@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC001580249840 1192016230 /nfs/dbraw/zinc/01/62/30/1192016230.db2.gz CWVQMYPQKDEKEB-UHFFFAOYSA-N 2 2 323.440 3.116 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001661599563 1196622929 /nfs/dbraw/zinc/62/29/29/1196622929.db2.gz AQPICVDNSCACPB-STQMWFEESA-N 2 2 312.889 3.159 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc3n[nH]cc32)c[nH+]1 ZINC001620959263 1192654775 /nfs/dbraw/zinc/65/47/75/1192654775.db2.gz SDSZZFDOGSDQBN-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)sn1 ZINC000399183074 1176268908 /nfs/dbraw/zinc/26/89/08/1176268908.db2.gz TYNLGLMQKWZTTL-GFCCVEGCSA-N 2 2 314.414 3.188 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC000378928441 1176750053 /nfs/dbraw/zinc/75/00/53/1176750053.db2.gz VVAJYGUKMJINIK-SFTDATJTSA-N 2 2 322.452 3.306 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC000378928441 1176750056 /nfs/dbraw/zinc/75/00/56/1176750056.db2.gz VVAJYGUKMJINIK-SFTDATJTSA-N 2 2 322.452 3.306 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110935917 1177875830 /nfs/dbraw/zinc/87/58/30/1177875830.db2.gz QUNBIXAZKLGRQR-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110935917 1177875839 /nfs/dbraw/zinc/87/58/39/1177875839.db2.gz QUNBIXAZKLGRQR-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC001332276178 1178411042 /nfs/dbraw/zinc/41/10/42/1178411042.db2.gz FCLVYDNOGBYGEP-LPHOPBHVSA-N 2 2 317.477 3.056 20 0 DGADLP c1cc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)sn1 ZINC001332835139 1178503740 /nfs/dbraw/zinc/50/37/40/1178503740.db2.gz GNTOFKQBOOOPNL-UHFFFAOYSA-N 2 2 304.463 3.075 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)[nH+]c1C ZINC001333731912 1178662896 /nfs/dbraw/zinc/66/28/96/1178662896.db2.gz GCFJNWVLEVOGDO-GOSISDBHSA-N 2 2 312.417 3.022 20 0 DGADLP Fc1ccc(C2CC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)c(F)c1 ZINC001334173557 1178731107 /nfs/dbraw/zinc/73/11/07/1178731107.db2.gz RXAUVYLYCURMSU-SIWZUTFBSA-N 2 2 306.400 3.285 20 0 DGADLP Fc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)c(F)c1 ZINC001334173557 1178731110 /nfs/dbraw/zinc/73/11/10/1178731110.db2.gz RXAUVYLYCURMSU-SIWZUTFBSA-N 2 2 306.400 3.285 20 0 DGADLP c1[nH]nc2cccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)c12 ZINC001334319463 1178748695 /nfs/dbraw/zinc/74/86/95/1178748695.db2.gz MHEMOJNUIJQBFD-UHFFFAOYSA-N 2 2 307.401 3.034 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724711 1178786310 /nfs/dbraw/zinc/78/63/10/1178786310.db2.gz YGKCKDYGFOQKRI-WMLDXEAASA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724711 1178786316 /nfs/dbraw/zinc/78/63/16/1178786316.db2.gz YGKCKDYGFOQKRI-WMLDXEAASA-N 2 2 316.836 3.043 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC001335212413 1178870814 /nfs/dbraw/zinc/87/08/14/1178870814.db2.gz RIQPRIWCWFPDBI-CJNGLKHVSA-N 2 2 308.853 3.233 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC001335212413 1178870824 /nfs/dbraw/zinc/87/08/24/1178870824.db2.gz RIQPRIWCWFPDBI-CJNGLKHVSA-N 2 2 308.853 3.233 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001341584412 1179032675 /nfs/dbraw/zinc/03/26/75/1179032675.db2.gz DWFYUHNGVIYDCE-XYPHTWIQSA-N 2 2 324.428 3.326 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC001341945939 1179084008 /nfs/dbraw/zinc/08/40/08/1179084008.db2.gz QTTNTDQPDMWTLU-XLIONFOSSA-N 2 2 309.457 3.493 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC001341945939 1179084015 /nfs/dbraw/zinc/08/40/15/1179084015.db2.gz QTTNTDQPDMWTLU-XLIONFOSSA-N 2 2 309.457 3.493 20 0 DGADLP CCc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083318 1179649673 /nfs/dbraw/zinc/64/96/73/1179649673.db2.gz GYAVKJAEKXWNFO-YJBOKZPZSA-N 2 2 314.408 3.344 20 0 DGADLP CCc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083318 1179649677 /nfs/dbraw/zinc/64/96/77/1179649677.db2.gz GYAVKJAEKXWNFO-YJBOKZPZSA-N 2 2 314.408 3.344 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001346183024 1179666522 /nfs/dbraw/zinc/66/65/22/1179666522.db2.gz RAYJAGQBHGBFHE-QLFBSQMISA-N 2 2 308.385 3.117 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1ccccc1 ZINC001351194380 1180184516 /nfs/dbraw/zinc/18/45/16/1180184516.db2.gz CQCGBRPJKZDDFN-BQYQJAHWSA-N 2 2 304.353 3.228 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC001414135309 1181599527 /nfs/dbraw/zinc/59/95/27/1181599527.db2.gz LKONCFJFBDJXRO-UHFFFAOYSA-N 2 2 317.408 3.042 20 0 DGADLP C[C@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCC1 ZINC001458114052 1182497268 /nfs/dbraw/zinc/49/72/68/1182497268.db2.gz SBTVISDUSJZWEL-CQSZACIVSA-N 2 2 309.417 3.026 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](Cc3cccc(OC(F)F)c3)C[C@@]2(C)C1 ZINC001460559485 1182695704 /nfs/dbraw/zinc/69/57/04/1182695704.db2.gz HXUKNIJNNHZTAS-IAGOWNOFSA-N 2 2 310.388 3.062 20 0 DGADLP CC(C)[C@H](O)CC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975486 1182749290 /nfs/dbraw/zinc/74/92/90/1182749290.db2.gz RGKFBNHNUOWIPT-DOTOQJQBSA-N 2 2 307.482 3.225 20 0 DGADLP CC(C)[C@H](O)CC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460975486 1182749294 /nfs/dbraw/zinc/74/92/94/1182749294.db2.gz RGKFBNHNUOWIPT-DOTOQJQBSA-N 2 2 307.482 3.225 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3cccc4c[nH]nc43)c2)c[nH+]1 ZINC001461028766 1182758548 /nfs/dbraw/zinc/75/85/48/1182758548.db2.gz BFOHSTBBEYENOI-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C ZINC001461235122 1182783706 /nfs/dbraw/zinc/78/37/06/1182783706.db2.gz UZXYULQZCUVXDF-MDZRGWNJSA-N 2 2 300.490 3.500 20 0 DGADLP CC[C@H]1C[C@H](C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001461299226 1182793253 /nfs/dbraw/zinc/79/32/53/1182793253.db2.gz NZVOFNPIAOAEBE-APWZRJJASA-N 2 2 317.477 3.056 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[NH+]1CCC1 ZINC001461411101 1182809748 /nfs/dbraw/zinc/80/97/48/1182809748.db2.gz GCICCKOIHDUCMB-INIZCTEOSA-N 2 2 321.484 3.493 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)C[NH+](C)C ZINC001461741775 1182847483 /nfs/dbraw/zinc/84/74/83/1182847483.db2.gz HWPYSBWKHDFTOP-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048809 1182901309 /nfs/dbraw/zinc/90/13/09/1182901309.db2.gz DPNPHNGQJLQALZ-SJORKVTESA-N 2 2 302.462 3.189 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048809 1182901312 /nfs/dbraw/zinc/90/13/12/1182901312.db2.gz DPNPHNGQJLQALZ-SJORKVTESA-N 2 2 302.462 3.189 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001462430941 1182951057 /nfs/dbraw/zinc/95/10/57/1182951057.db2.gz VRQABSYTHIWEFR-OWSLCNJRSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462430743 1182951106 /nfs/dbraw/zinc/95/11/06/1182951106.db2.gz RXOYBIUWYDTTJI-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462430743 1182951110 /nfs/dbraw/zinc/95/11/10/1182951110.db2.gz RXOYBIUWYDTTJI-WMZOPIPTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1COc2ccccc2C1 ZINC001462489430 1182961163 /nfs/dbraw/zinc/96/11/63/1182961163.db2.gz ZMKXPVVDGQNGTK-IEZWGBDMSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1COc2ccccc2C1 ZINC001462489430 1182961167 /nfs/dbraw/zinc/96/11/67/1182961167.db2.gz ZMKXPVVDGQNGTK-IEZWGBDMSA-N 2 2 314.473 3.233 20 0 DGADLP CCO[C@@H](CNc1cc(C(C)C)[nH+]c(C(C)C)n1)C[NH+](C)C ZINC001472872547 1183693359 /nfs/dbraw/zinc/69/33/59/1183693359.db2.gz QSLPBDPBRKDFJD-AWEZNQCLSA-N 2 2 308.470 3.102 20 0 DGADLP C[C@H]1CC(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)C[C@H](C)C1 ZINC001473299550 1183740279 /nfs/dbraw/zinc/74/02/79/1183740279.db2.gz NNRZYIXSCZNXJM-HZPDHXFCSA-N 2 2 304.482 3.005 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473358278 1183747659 /nfs/dbraw/zinc/74/76/59/1183747659.db2.gz SVNNPAPNRULUJW-OXQOHEQNSA-N 2 2 321.424 3.127 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725599 1183794039 /nfs/dbraw/zinc/79/40/39/1183794039.db2.gz RORRWOZVGUMTCI-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725599 1183794043 /nfs/dbraw/zinc/79/40/43/1183794043.db2.gz RORRWOZVGUMTCI-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725599 1183794046 /nfs/dbraw/zinc/79/40/46/1183794046.db2.gz RORRWOZVGUMTCI-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725599 1183794051 /nfs/dbraw/zinc/79/40/51/1183794051.db2.gz RORRWOZVGUMTCI-HIFRSBDPSA-N 2 2 314.351 3.111 20 0 DGADLP Cc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)nc1Cl ZINC001473895179 1183820159 /nfs/dbraw/zinc/82/01/59/1183820159.db2.gz CFIHHOXFTLMNEZ-UHFFFAOYSA-N 2 2 304.825 3.157 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001473908872 1183825626 /nfs/dbraw/zinc/82/56/26/1183825626.db2.gz DAYLVUHJWWEHRB-IBGZPJMESA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001473908872 1183825627 /nfs/dbraw/zinc/82/56/27/1183825627.db2.gz DAYLVUHJWWEHRB-IBGZPJMESA-N 2 2 302.462 3.010 20 0 DGADLP CCO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001473927042 1183830449 /nfs/dbraw/zinc/83/04/49/1183830449.db2.gz VDVRSKFXLPGOCP-MOPGFXCFSA-N 2 2 313.445 3.369 20 0 DGADLP COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(Cl)c1 ZINC001474034633 1183855454 /nfs/dbraw/zinc/85/54/54/1183855454.db2.gz CAQSFOQAVDJSJQ-UHFFFAOYSA-N 2 2 305.809 3.335 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316599 1183903987 /nfs/dbraw/zinc/90/39/87/1183903987.db2.gz CKLBOBOAWYJFOK-RHSMWYFYSA-N 2 2 307.457 3.196 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316599 1183903988 /nfs/dbraw/zinc/90/39/88/1183903988.db2.gz CKLBOBOAWYJFOK-RHSMWYFYSA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316599 1183903989 /nfs/dbraw/zinc/90/39/89/1183903989.db2.gz CKLBOBOAWYJFOK-RHSMWYFYSA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316599 1183903990 /nfs/dbraw/zinc/90/39/90/1183903990.db2.gz CKLBOBOAWYJFOK-RHSMWYFYSA-N 2 2 307.457 3.196 20 0 DGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001474505513 1183932975 /nfs/dbraw/zinc/93/29/75/1183932975.db2.gz VNXXHKQFNBALHC-RTBURBONSA-N 3 2 309.542 3.184 20 0 DGADLP CC[C@@](C)(C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001474547504 1183938517 /nfs/dbraw/zinc/93/85/17/1183938517.db2.gz YWAQUBVYRLOKAK-INIZCTEOSA-N 2 2 307.825 3.430 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642559 1183954649 /nfs/dbraw/zinc/95/46/49/1183954649.db2.gz PTSXTVDZLPVNFZ-CVEARBPZSA-N 2 2 311.473 3.408 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642559 1183954653 /nfs/dbraw/zinc/95/46/53/1183954653.db2.gz PTSXTVDZLPVNFZ-CVEARBPZSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001495709519 1185092748 /nfs/dbraw/zinc/09/27/48/1185092748.db2.gz PGVVLMANUGBSIG-UIORMTCPSA-N 2 2 317.477 3.008 20 0 DGADLP Cc1nc([C@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)sc1C ZINC001548900686 1186062606 /nfs/dbraw/zinc/06/26/06/1186062606.db2.gz XAUKCJMCKLDNFK-OAHLLOKOSA-N 2 2 304.463 3.263 20 0 DGADLP Cc1nc([C@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)sc1C ZINC001548900686 1186062609 /nfs/dbraw/zinc/06/26/09/1186062609.db2.gz XAUKCJMCKLDNFK-OAHLLOKOSA-N 2 2 304.463 3.263 20 0 DGADLP CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001541012549 1188268367 /nfs/dbraw/zinc/26/83/67/1188268367.db2.gz IHACFBPDBMUYRL-CRAIPNDOSA-N 2 2 315.461 3.094 20 0 DGADLP CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001541012549 1188268371 /nfs/dbraw/zinc/26/83/71/1188268371.db2.gz IHACFBPDBMUYRL-CRAIPNDOSA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001541012549 1188268373 /nfs/dbraw/zinc/26/83/73/1188268373.db2.gz IHACFBPDBMUYRL-CRAIPNDOSA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001541012549 1188268377 /nfs/dbraw/zinc/26/83/77/1188268377.db2.gz IHACFBPDBMUYRL-CRAIPNDOSA-N 2 2 315.461 3.094 20 0 DGADLP CCNc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC001617103058 1193557943 /nfs/dbraw/zinc/55/79/43/1193557943.db2.gz JBCYSKRLCMDAAI-UONOGXRCSA-N 2 2 322.522 3.318 20 0 DGADLP CCNc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC001617103058 1193557947 /nfs/dbraw/zinc/55/79/47/1193557947.db2.gz JBCYSKRLCMDAAI-UONOGXRCSA-N 2 2 322.522 3.318 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)ccc1Cl ZINC001548851988 1188467434 /nfs/dbraw/zinc/46/74/34/1188467434.db2.gz YIFSENHSVCGYMW-CQSZACIVSA-N 2 2 319.836 3.462 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)ccc1Cl ZINC001548851988 1188467437 /nfs/dbraw/zinc/46/74/37/1188467437.db2.gz YIFSENHSVCGYMW-CQSZACIVSA-N 2 2 319.836 3.462 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001549006607 1188486509 /nfs/dbraw/zinc/48/65/09/1188486509.db2.gz GARYMGHGMOIGQL-NEPJUHHUSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001549006607 1188486511 /nfs/dbraw/zinc/48/65/11/1188486511.db2.gz GARYMGHGMOIGQL-NEPJUHHUSA-N 2 2 302.249 3.183 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549556524 1188527388 /nfs/dbraw/zinc/52/73/88/1188527388.db2.gz GNZRNWKVLANKHM-ZWKOTPCHSA-N 2 2 323.440 3.290 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587339 1188528614 /nfs/dbraw/zinc/52/86/14/1188528614.db2.gz VQVBUCXWCISTDJ-YJBOKZPZSA-N 2 2 317.408 3.126 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587339 1188528616 /nfs/dbraw/zinc/52/86/16/1188528616.db2.gz VQVBUCXWCISTDJ-YJBOKZPZSA-N 2 2 317.408 3.126 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3F)C2)C(C)(C)O1 ZINC001550174496 1188590152 /nfs/dbraw/zinc/59/01/52/1188590152.db2.gz BHZIZYUZMRXQBG-FRFSOERESA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3F)C2)C(C)(C)O1 ZINC001550174496 1188590154 /nfs/dbraw/zinc/59/01/54/1188590154.db2.gz BHZIZYUZMRXQBG-FRFSOERESA-N 2 2 320.452 3.146 20 0 DGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001550219665 1188595167 /nfs/dbraw/zinc/59/51/67/1188595167.db2.gz ZOTGSVYVBNNYSY-MEBBXXQBSA-N 2 2 300.406 3.005 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CCC[C@@H]3[NH3+])cc2)[nH+]c1C ZINC001550219004 1188595214 /nfs/dbraw/zinc/59/52/14/1188595214.db2.gz RIMXTAVFOVEYJC-ZBFHGGJFSA-N 2 2 312.417 3.150 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540128 1188621558 /nfs/dbraw/zinc/62/15/58/1188621558.db2.gz XRVCCYQXLKOHCY-CHWSQXEVSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540128 1188621563 /nfs/dbraw/zinc/62/15/63/1188621563.db2.gz XRVCCYQXLKOHCY-CHWSQXEVSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540128 1188621567 /nfs/dbraw/zinc/62/15/67/1188621567.db2.gz XRVCCYQXLKOHCY-CHWSQXEVSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@H]2C1 ZINC001550540128 1188621569 /nfs/dbraw/zinc/62/15/69/1188621569.db2.gz XRVCCYQXLKOHCY-CHWSQXEVSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001550541021 1188622129 /nfs/dbraw/zinc/62/21/29/1188622129.db2.gz PGICLGQQLIWIQQ-JSGCOSHPSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001550541021 1188622131 /nfs/dbraw/zinc/62/21/31/1188622131.db2.gz PGICLGQQLIWIQQ-JSGCOSHPSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001550541021 1188622133 /nfs/dbraw/zinc/62/21/33/1188622133.db2.gz PGICLGQQLIWIQQ-JSGCOSHPSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC001550541021 1188622136 /nfs/dbraw/zinc/62/21/36/1188622136.db2.gz PGICLGQQLIWIQQ-JSGCOSHPSA-N 2 2 319.499 3.255 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001550618964 1188632550 /nfs/dbraw/zinc/63/25/50/1188632550.db2.gz AYLKTVYKKQBKKO-GFCCVEGCSA-N 2 2 319.840 3.054 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001550618964 1188632552 /nfs/dbraw/zinc/63/25/52/1188632552.db2.gz AYLKTVYKKQBKKO-GFCCVEGCSA-N 2 2 319.840 3.054 20 0 DGADLP CC[NH+](CC)CC[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001562901293 1188647136 /nfs/dbraw/zinc/64/71/36/1188647136.db2.gz KFDZCGOCAXWAET-ZDUSSCGKSA-N 2 2 306.454 3.249 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCc2cc(Cl)ncc21 ZINC001551377409 1188732341 /nfs/dbraw/zinc/73/23/41/1188732341.db2.gz HUVOBDIWEPXFRF-JFIYKMOQSA-N 2 2 313.832 3.327 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC001553868854 1188952838 /nfs/dbraw/zinc/95/28/38/1188952838.db2.gz OEPYZTNGXONPIQ-MRXNPFEDSA-N 2 2 306.413 3.348 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001553868854 1188952843 /nfs/dbraw/zinc/95/28/43/1188952843.db2.gz OEPYZTNGXONPIQ-MRXNPFEDSA-N 2 2 306.413 3.348 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001559121213 1189172518 /nfs/dbraw/zinc/17/25/18/1189172518.db2.gz MUUQJCBCFITKQO-UONOGXRCSA-N 2 2 309.417 3.167 20 0 DGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)C(C)C ZINC001559505205 1189211759 /nfs/dbraw/zinc/21/17/59/1189211759.db2.gz DPXJILGEPICADX-QGZVFWFLSA-N 2 2 304.478 3.385 20 0 DGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)C(C)C ZINC001559505205 1189211762 /nfs/dbraw/zinc/21/17/62/1189211762.db2.gz DPXJILGEPICADX-QGZVFWFLSA-N 2 2 304.478 3.385 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)[C@@H]1OC ZINC001559812856 1189245226 /nfs/dbraw/zinc/24/52/26/1189245226.db2.gz MXKHQBSMLUSTQX-RZFLPCETSA-N 2 2 310.526 3.394 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)[C@@H]1OC ZINC001559812856 1189245230 /nfs/dbraw/zinc/24/52/30/1189245230.db2.gz MXKHQBSMLUSTQX-RZFLPCETSA-N 2 2 310.526 3.394 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1nsc2ccccc21 ZINC001560155057 1189284145 /nfs/dbraw/zinc/28/41/45/1189284145.db2.gz AAJIKWCBJMXNBC-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1nsc2ccccc21 ZINC001560155057 1189284149 /nfs/dbraw/zinc/28/41/49/1189284149.db2.gz AAJIKWCBJMXNBC-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001560233112 1189296305 /nfs/dbraw/zinc/29/63/05/1189296305.db2.gz ROXQFZVUPRXCBV-UHFFFAOYSA-N 2 2 322.412 3.054 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C2 ZINC001560266657 1189301862 /nfs/dbraw/zinc/30/18/62/1189301862.db2.gz LGKUIUWREGEXOQ-SFHVURJKSA-N 2 2 316.489 3.264 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001560364924 1189319057 /nfs/dbraw/zinc/31/90/57/1189319057.db2.gz DQFMMFYJGKAWAF-UHFFFAOYSA-N 2 2 321.428 3.168 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001560409021 1189324489 /nfs/dbraw/zinc/32/44/89/1189324489.db2.gz HIZNFELAJLPQSD-UHFFFAOYSA-N 2 2 319.836 3.490 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)[NH+](CC)CC)cc1 ZINC001560859394 1189394766 /nfs/dbraw/zinc/39/47/66/1189394766.db2.gz JZXGIBIRGQAYDW-FUMNGEBKSA-N 2 2 316.489 3.256 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)ccc1-n1cc[nH+]c1 ZINC001565582215 1189657632 /nfs/dbraw/zinc/65/76/32/1189657632.db2.gz MGHLZQRNOPRYMD-SJLPKXTDSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)ccc1-n1cc[nH+]c1 ZINC001565582215 1189657635 /nfs/dbraw/zinc/65/76/35/1189657635.db2.gz MGHLZQRNOPRYMD-SJLPKXTDSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)ccc1-n1cc[nH+]c1 ZINC001565582216 1189657949 /nfs/dbraw/zinc/65/79/49/1189657949.db2.gz MGHLZQRNOPRYMD-WMZOPIPTSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)ccc1-n1cc[nH+]c1 ZINC001565582216 1189657952 /nfs/dbraw/zinc/65/79/52/1189657952.db2.gz MGHLZQRNOPRYMD-WMZOPIPTSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001565778441 1189669978 /nfs/dbraw/zinc/66/99/78/1189669978.db2.gz WYHGGSNUWSMKOL-CVEARBPZSA-N 2 2 318.380 3.318 20 0 DGADLP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001567191057 1190059287 /nfs/dbraw/zinc/05/92/87/1190059287.db2.gz ZAIKHBBBORDPIX-UHFFFAOYSA-N 2 2 324.428 3.123 20 0 DGADLP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001567191057 1190059300 /nfs/dbraw/zinc/05/93/00/1190059300.db2.gz ZAIKHBBBORDPIX-UHFFFAOYSA-N 2 2 324.428 3.123 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]([NH2+]CC2CC2)C(C)C)c(C)[nH+]1 ZINC001571350614 1190998884 /nfs/dbraw/zinc/99/88/84/1190998884.db2.gz MLMXDSIBVPHVJW-QGZVFWFLSA-N 2 2 317.477 3.151 20 0 DGADLP CCCC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001571627273 1191067882 /nfs/dbraw/zinc/06/78/82/1191067882.db2.gz QRJMRDJTSOJYRU-INIZCTEOSA-N 2 2 316.449 3.097 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC001575149824 1191469148 /nfs/dbraw/zinc/46/91/48/1191469148.db2.gz KULWUZRSCXYLOB-QGZVFWFLSA-N 2 2 302.462 3.058 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3C[C@H]4CCCC[C@H]43)CC2)cc1 ZINC001619819415 1193761968 /nfs/dbraw/zinc/76/19/68/1193761968.db2.gz WATXEOJJYLRYCH-UYAOXDASSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3C[C@H]4CCCC[C@H]43)CC2)cc1 ZINC001619819415 1193761971 /nfs/dbraw/zinc/76/19/71/1193761971.db2.gz WATXEOJJYLRYCH-UYAOXDASSA-N 2 2 313.489 3.073 20 0 DGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001620532404 1193777150 /nfs/dbraw/zinc/77/71/50/1193777150.db2.gz JOBNQHUWVXBGRA-LJQANCHMSA-N 2 2 307.397 3.423 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC001620747813 1193797382 /nfs/dbraw/zinc/79/73/82/1193797382.db2.gz WSXOMTICGAIRQY-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001620747202 1193797892 /nfs/dbraw/zinc/79/78/92/1193797892.db2.gz WMALLWSYSDNOQI-MRXNPFEDSA-N 2 2 314.477 3.439 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001620747202 1193797894 /nfs/dbraw/zinc/79/78/94/1193797894.db2.gz WMALLWSYSDNOQI-MRXNPFEDSA-N 2 2 314.477 3.439 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001621433942 1193842202 /nfs/dbraw/zinc/84/22/02/1193842202.db2.gz FNOIYNPNTNOJMD-OTBHMBEGSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001621433942 1193842205 /nfs/dbraw/zinc/84/22/05/1193842205.db2.gz FNOIYNPNTNOJMD-OTBHMBEGSA-N 2 2 316.489 3.444 20 0 DGADLP COCc1csc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001621569430 1193860278 /nfs/dbraw/zinc/86/02/78/1193860278.db2.gz UPYINRTXCGRBAI-UHFFFAOYSA-N 2 2 305.447 3.008 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2c([nH]1)CCCC2 ZINC001629327290 1194227004 /nfs/dbraw/zinc/22/70/04/1194227004.db2.gz KOEKGYFIFGZLCA-UHFFFAOYSA-N 2 2 321.384 3.035 20 0 DGADLP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001631633608 1194347193 /nfs/dbraw/zinc/34/71/93/1194347193.db2.gz IDIPYNRNZBYBQL-SFHVURJKSA-N 2 2 315.461 3.095 20 0 DGADLP CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001631633608 1194347196 /nfs/dbraw/zinc/34/71/96/1194347196.db2.gz IDIPYNRNZBYBQL-SFHVURJKSA-N 2 2 315.461 3.095 20 0 DGADLP CCc1nc(N2CC[NH+](CC3CCCCC3)CC2)cc(C)[nH+]1 ZINC001642161669 1194891057 /nfs/dbraw/zinc/89/10/57/1194891057.db2.gz WSWKBMONTIBZHH-UHFFFAOYSA-N 2 2 302.466 3.050 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)c1 ZINC001644555610 1195117358 /nfs/dbraw/zinc/11/73/58/1195117358.db2.gz LEZYPZQQQFRGPT-INIZCTEOSA-N 2 2 317.477 3.429 20 0 DGADLP O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001646252317 1195218976 /nfs/dbraw/zinc/21/89/76/1195218976.db2.gz NKTLQNCEMBRVSK-UHFFFAOYSA-N 2 2 319.368 3.191 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)Cc1ccccc1 ZINC001648775128 1195330760 /nfs/dbraw/zinc/33/07/60/1195330760.db2.gz CGPAWSJNINZTLS-NEWSRXKRSA-N 2 2 304.478 3.097 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001648782299 1195331458 /nfs/dbraw/zinc/33/14/58/1195331458.db2.gz ZPTOUVRLLWXVLY-SFHVURJKSA-N 2 2 316.489 3.408 20 0 DGADLP C[C@@H](Cc1cccs1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001651850279 1195516182 /nfs/dbraw/zinc/51/61/82/1195516182.db2.gz ADKBERININXYAA-LBPRGKRZSA-N 2 2 309.504 3.329 20 0 DGADLP C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001651850279 1195516184 /nfs/dbraw/zinc/51/61/84/1195516184.db2.gz ADKBERININXYAA-LBPRGKRZSA-N 2 2 309.504 3.329 20 0 DGADLP c1ccc(CC2CC[NH+](CCC[NH+]3CCSCC3)CC2)cc1 ZINC001652290826 1195576589 /nfs/dbraw/zinc/57/65/89/1195576589.db2.gz LKNBEAYHXGYWJG-UHFFFAOYSA-N 2 2 318.530 3.380 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@H](OC)c2ccc(F)cc2)CC1 ZINC001652302806 1195578454 /nfs/dbraw/zinc/57/84/54/1195578454.db2.gz WUDDYSRIWBYSDK-SFHVURJKSA-N 2 2 308.441 3.319 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC/C=C/c3ccccc3)CC2)c1 ZINC001652459507 1195599226 /nfs/dbraw/zinc/59/92/26/1195599226.db2.gz GDXBZBUJQTXDEV-WEVVVXLNSA-N 2 2 323.440 3.316 20 0 DGADLP c1c[nH+]c(C2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)[nH]1 ZINC001652637427 1195629884 /nfs/dbraw/zinc/62/98/84/1195629884.db2.gz SZVOOEYLMLGEMG-INIZCTEOSA-N 2 2 303.450 3.329 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000069160454 1195777464 /nfs/dbraw/zinc/77/74/64/1195777464.db2.gz JWNHGMHVDIGINS-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000069160454 1195777468 /nfs/dbraw/zinc/77/74/68/1195777468.db2.gz JWNHGMHVDIGINS-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC001655123122 1195879718 /nfs/dbraw/zinc/87/97/18/1195879718.db2.gz BEDHBSKZBGTQRA-UHFFFAOYSA-N 2 2 305.466 3.196 20 0 DGADLP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC001655273762 1195898785 /nfs/dbraw/zinc/89/87/85/1195898785.db2.gz GLYZFHNSGSDFAO-UHFFFAOYSA-N 2 2 314.429 3.216 20 0 DGADLP CCOc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC001655273762 1195898788 /nfs/dbraw/zinc/89/87/88/1195898788.db2.gz GLYZFHNSGSDFAO-UHFFFAOYSA-N 2 2 314.429 3.216 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001655322822 1195904034 /nfs/dbraw/zinc/90/40/34/1195904034.db2.gz KMXXUFOLVDKGRV-MRXNPFEDSA-N 2 2 316.848 3.224 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001655322821 1195904248 /nfs/dbraw/zinc/90/42/48/1195904248.db2.gz KMXXUFOLVDKGRV-INIZCTEOSA-N 2 2 316.848 3.224 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001655893773 1195974565 /nfs/dbraw/zinc/97/45/65/1195974565.db2.gz GUVKWFQUUAMPKP-KRWDZBQOSA-N 2 2 313.426 3.065 20 0 DGADLP CO[C@H](C[NH+]1CCC(c2c[nH+]cn2C)CC1)C1CCCCC1 ZINC001655905601 1195975726 /nfs/dbraw/zinc/97/57/26/1195975726.db2.gz XRDDNUKSYYMZAY-GOSISDBHSA-N 2 2 305.466 3.195 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)nc(C(C)C)[nH+]1 ZINC001655956112 1195982790 /nfs/dbraw/zinc/98/27/90/1195982790.db2.gz ZAZJKHFKKGHDJC-QLFBSQMISA-N 2 2 302.466 3.476 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)nc(C(C)C)[nH+]1 ZINC001655956112 1195982793 /nfs/dbraw/zinc/98/27/93/1195982793.db2.gz ZAZJKHFKKGHDJC-QLFBSQMISA-N 2 2 302.466 3.476 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC001655991016 1195984953 /nfs/dbraw/zinc/98/49/53/1195984953.db2.gz VENXXDHLVKHWQQ-UHFFFAOYSA-N 2 2 318.509 3.430 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC001656207093 1196017287 /nfs/dbraw/zinc/01/72/87/1196017287.db2.gz AMOXJVIEAGXITN-LBPRGKRZSA-N 2 2 313.283 3.266 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCn3cnc4ccccc43)c2)c[nH+]1 ZINC001656218441 1196019305 /nfs/dbraw/zinc/01/93/05/1196019305.db2.gz XRTCNFHCWGIJLS-UHFFFAOYSA-N 2 2 323.425 3.073 20 0 DGADLP Oc1cccc2c1CC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656408726 1196036764 /nfs/dbraw/zinc/03/67/64/1196036764.db2.gz HBLAKTNSYGBPCP-MRXNPFEDSA-N 2 2 311.410 3.417 20 0 DGADLP Cc1nn(C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001657627082 1196161738 /nfs/dbraw/zinc/16/17/38/1196161738.db2.gz HQTMNLDLBWRUEZ-IBGZPJMESA-N 2 2 323.444 3.073 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657729483 1196172571 /nfs/dbraw/zinc/17/25/71/1196172571.db2.gz ZJIDAPSRLWPNGT-CQSZACIVSA-N 2 2 319.412 3.391 20 0 DGADLP CCCn1nccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657728417 1196172676 /nfs/dbraw/zinc/17/26/76/1196172676.db2.gz LAEZKNZTFILDPR-HNNXBMFYSA-N 2 2 309.417 3.330 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nccc(Cl)c1Cl ZINC001657849712 1196185358 /nfs/dbraw/zinc/18/53/58/1196185358.db2.gz MALJLIUEWBIXLS-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nccc(Cl)c1Cl ZINC001657849712 1196185367 /nfs/dbraw/zinc/18/53/67/1196185367.db2.gz MALJLIUEWBIXLS-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP CCn1nc(C[NH2+][C@H](C)CC[NH+](CC)CC)c2ccccc21 ZINC001658185847 1196222644 /nfs/dbraw/zinc/22/26/44/1196222644.db2.gz IBSWBSVRCQDBEE-OAHLLOKOSA-N 2 2 302.466 3.266 20 0 DGADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(C(C)(C)C)oc1C ZINC001658219058 1196225952 /nfs/dbraw/zinc/22/59/52/1196225952.db2.gz SJGFGDOWZHCRMR-MRXNPFEDSA-N 2 2 310.482 3.068 20 0 DGADLP Oc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271214 1196233570 /nfs/dbraw/zinc/23/35/70/1196233570.db2.gz UEPOMBPXQLJKGC-KSSFIOAISA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271214 1196233577 /nfs/dbraw/zinc/23/35/77/1196233577.db2.gz UEPOMBPXQLJKGC-KSSFIOAISA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001658271214 1196233582 /nfs/dbraw/zinc/23/35/82/1196233582.db2.gz UEPOMBPXQLJKGC-KSSFIOAISA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001658271214 1196233585 /nfs/dbraw/zinc/23/35/85/1196233585.db2.gz UEPOMBPXQLJKGC-KSSFIOAISA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271215 1196234285 /nfs/dbraw/zinc/23/42/85/1196234285.db2.gz UEPOMBPXQLJKGC-RDTXWAMCSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271215 1196234291 /nfs/dbraw/zinc/23/42/91/1196234291.db2.gz UEPOMBPXQLJKGC-RDTXWAMCSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001658271215 1196234297 /nfs/dbraw/zinc/23/42/97/1196234297.db2.gz UEPOMBPXQLJKGC-RDTXWAMCSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001658271215 1196234301 /nfs/dbraw/zinc/23/43/01/1196234301.db2.gz UEPOMBPXQLJKGC-RDTXWAMCSA-N 2 2 320.864 3.494 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850175 1196309376 /nfs/dbraw/zinc/30/93/76/1196309376.db2.gz JXSWJGHTADHCQZ-DOMZBBRYSA-N 2 2 320.506 3.317 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850175 1196309377 /nfs/dbraw/zinc/30/93/77/1196309377.db2.gz JXSWJGHTADHCQZ-DOMZBBRYSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850175 1196309379 /nfs/dbraw/zinc/30/93/79/1196309379.db2.gz JXSWJGHTADHCQZ-DOMZBBRYSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850175 1196309381 /nfs/dbraw/zinc/30/93/81/1196309381.db2.gz JXSWJGHTADHCQZ-DOMZBBRYSA-N 2 2 320.506 3.317 20 0 DGADLP CCn1nccc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659114884 1196346372 /nfs/dbraw/zinc/34/63/72/1196346372.db2.gz QIJKVGSZAMHSNE-OAHLLOKOSA-N 2 2 315.465 3.234 20 0 DGADLP CCn1nccc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659114884 1196346377 /nfs/dbraw/zinc/34/63/77/1196346377.db2.gz QIJKVGSZAMHSNE-OAHLLOKOSA-N 2 2 315.465 3.234 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659267725 1196365519 /nfs/dbraw/zinc/36/55/19/1196365519.db2.gz ZMXMQZSTRUDUCK-LMMKCTJWSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659267725 1196365523 /nfs/dbraw/zinc/36/55/23/1196365523.db2.gz ZMXMQZSTRUDUCK-LMMKCTJWSA-N 2 2 304.478 3.180 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001659674072 1196404903 /nfs/dbraw/zinc/40/49/03/1196404903.db2.gz XWDJKSDRQIWICC-IBGZPJMESA-N 2 2 316.489 3.264 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001659674072 1196404907 /nfs/dbraw/zinc/40/49/07/1196404907.db2.gz XWDJKSDRQIWICC-IBGZPJMESA-N 2 2 316.489 3.264 20 0 DGADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(C)c1OC(F)F ZINC000075799798 1196422984 /nfs/dbraw/zinc/42/29/84/1196422984.db2.gz FEOSGVSAUCBCKW-ZDUSSCGKSA-N 2 2 309.360 3.280 20 0 DGADLP Cc1c(F)nccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001659901913 1196426689 /nfs/dbraw/zinc/42/66/89/1196426689.db2.gz HHFHWTKRDFZEAW-KRWDZBQOSA-N 2 2 310.376 3.257 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001660046999 1196439961 /nfs/dbraw/zinc/43/99/61/1196439961.db2.gz DHBQCOKNFUCRFR-FCCDEINASA-N 2 2 309.542 3.205 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001660046999 1196439963 /nfs/dbraw/zinc/43/99/63/1196439963.db2.gz DHBQCOKNFUCRFR-FCCDEINASA-N 2 2 309.542 3.205 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc(F)ccc1F ZINC001660233749 1196460407 /nfs/dbraw/zinc/46/04/07/1196460407.db2.gz MXHVZJOZLUSGEV-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc(F)ccc1F ZINC001660233749 1196460408 /nfs/dbraw/zinc/46/04/08/1196460408.db2.gz MXHVZJOZLUSGEV-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cs1 ZINC001660370443 1196476168 /nfs/dbraw/zinc/47/61/68/1196476168.db2.gz RJZDLFOKDCNBGM-UKRRQHHQSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cs1 ZINC001660370443 1196476170 /nfs/dbraw/zinc/47/61/70/1196476170.db2.gz RJZDLFOKDCNBGM-UKRRQHHQSA-N 2 2 324.490 3.087 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCSc2ccccc2)CC1 ZINC001660671869 1196511081 /nfs/dbraw/zinc/51/10/81/1196511081.db2.gz NDOBDULGSZMHPR-UHFFFAOYSA-N 2 2 301.459 3.392 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cn(-c2cccc(C)c2)nc1C ZINC001660773082 1196522733 /nfs/dbraw/zinc/52/27/33/1196522733.db2.gz MQEUNMHPJOILHD-UHFFFAOYSA-N 2 2 314.477 3.311 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001660805555 1196527602 /nfs/dbraw/zinc/52/76/02/1196527602.db2.gz ZKMCUMWRJORCDU-UHFFFAOYSA-N 2 2 313.445 3.209 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001660879989 1196538485 /nfs/dbraw/zinc/53/84/85/1196538485.db2.gz NFUWOCAAKWSKDX-OALUTQOASA-N 2 2 313.445 3.369 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001660920132 1196542557 /nfs/dbraw/zinc/54/25/57/1196542557.db2.gz UICHTUZPXZXLII-LRYGQEGESA-N 2 2 308.510 3.436 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC3(COC(C)(C)C3)CC2)C1 ZINC001660920132 1196542559 /nfs/dbraw/zinc/54/25/59/1196542559.db2.gz UICHTUZPXZXLII-LRYGQEGESA-N 2 2 308.510 3.436 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001661599561 1196623227 /nfs/dbraw/zinc/62/32/27/1196623227.db2.gz AQPICVDNSCACPB-OLZOCXBDSA-N 2 2 312.889 3.159 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]Cc2ccc3ccccc3c2)CCSC1 ZINC001661634825 1196626108 /nfs/dbraw/zinc/62/61/08/1196626108.db2.gz VFIAALNRONYSAF-GOSISDBHSA-N 2 2 300.471 3.367 20 0 DGADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc(OC)c1 ZINC000079000680 1196846361 /nfs/dbraw/zinc/84/63/61/1196846361.db2.gz AFSMWSNZCXJZKQ-KRWDZBQOSA-N 2 2 317.433 3.105 20 0 DGADLP CCCn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC001663836503 1196949737 /nfs/dbraw/zinc/94/97/37/1196949737.db2.gz MBYPCHLBMRGENM-SFHVURJKSA-N 2 2 304.482 3.052 20 0 DGADLP CCCn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC001663836503 1196949738 /nfs/dbraw/zinc/94/97/38/1196949738.db2.gz MBYPCHLBMRGENM-SFHVURJKSA-N 2 2 304.482 3.052 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001664269620 1196985085 /nfs/dbraw/zinc/98/50/85/1196985085.db2.gz GDNHPTCASQOTTA-GOSISDBHSA-N 3 2 309.542 3.351 20 0 DGADLP CC[N@@H+]1CCC[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001664450147 1197000134 /nfs/dbraw/zinc/00/01/34/1197000134.db2.gz AVJIKELYURJIGC-GOSISDBHSA-N 2 2 307.526 3.107 20 0 DGADLP CC[N@H+]1CCC[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001664450147 1197000138 /nfs/dbraw/zinc/00/01/38/1197000138.db2.gz AVJIKELYURJIGC-GOSISDBHSA-N 2 2 307.526 3.107 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001665712525 1197179416 /nfs/dbraw/zinc/17/94/16/1197179416.db2.gz QJIFFHAXGYLCHA-UZLBHIALSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001665712525 1197179420 /nfs/dbraw/zinc/17/94/20/1197179420.db2.gz QJIFFHAXGYLCHA-UZLBHIALSA-N 2 2 315.505 3.068 20 0 DGADLP CC(C)=CC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001667478638 1197352088 /nfs/dbraw/zinc/35/20/88/1197352088.db2.gz NQYWGKIWIOWCAH-KRWDZBQOSA-N 2 2 317.477 3.317 20 0 DGADLP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001669888659 1197498883 /nfs/dbraw/zinc/49/88/83/1197498883.db2.gz SZBFZFXUQARWRU-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001669888659 1197498884 /nfs/dbraw/zinc/49/88/84/1197498884.db2.gz SZBFZFXUQARWRU-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669888658 1197499125 /nfs/dbraw/zinc/49/91/25/1197499125.db2.gz SZBFZFXUQARWRU-HOTGVXAUSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669888658 1197499126 /nfs/dbraw/zinc/49/91/26/1197499126.db2.gz SZBFZFXUQARWRU-HOTGVXAUSA-N 2 2 322.497 3.097 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c(C)[nH+]1 ZINC001672021643 1197590296 /nfs/dbraw/zinc/59/02/96/1197590296.db2.gz YNYQVOMJMUZJIF-HUUCEWRRSA-N 2 2 304.438 3.001 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000390353990 1197712829 /nfs/dbraw/zinc/71/28/29/1197712829.db2.gz DETUKBGAWZAPMC-PKOBYXMFSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000390353990 1197712830 /nfs/dbraw/zinc/71/28/30/1197712830.db2.gz DETUKBGAWZAPMC-PKOBYXMFSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)CSCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003743 1198084514 /nfs/dbraw/zinc/08/45/14/1198084514.db2.gz VSTRVLZCEZSKOD-INIZCTEOSA-N 2 2 309.523 3.454 20 0 DGADLP CC(C)CSCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003743 1198084519 /nfs/dbraw/zinc/08/45/19/1198084519.db2.gz VSTRVLZCEZSKOD-INIZCTEOSA-N 2 2 309.523 3.454 20 0 DGADLP c1nc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)sc1-c1ccccc1 ZINC000092369183 1198563773 /nfs/dbraw/zinc/56/37/73/1198563773.db2.gz HLJBDQWXFQAFPI-AWEZNQCLSA-N 2 2 313.470 3.384 20 0 DGADLP c1nc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)sc1-c1ccccc1 ZINC000092369183 1198563778 /nfs/dbraw/zinc/56/37/78/1198563778.db2.gz HLJBDQWXFQAFPI-AWEZNQCLSA-N 2 2 313.470 3.384 20 0 DGADLP CCc1nc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000304301912 1199644858 /nfs/dbraw/zinc/64/48/58/1199644858.db2.gz ISZYOUNQLFYAHD-QGZVFWFLSA-N 2 2 310.445 3.424 20 0 DGADLP CCc1nc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000304301912 1199644861 /nfs/dbraw/zinc/64/48/61/1199644861.db2.gz ISZYOUNQLFYAHD-QGZVFWFLSA-N 2 2 310.445 3.424 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccsc2Br)CC1 ZINC000309630975 1199708184 /nfs/dbraw/zinc/70/81/84/1199708184.db2.gz HUHUFQHRNWJNBC-LLVKDONJSA-N 2 2 303.269 3.085 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccsc2Br)CC1 ZINC000309630975 1199708187 /nfs/dbraw/zinc/70/81/87/1199708187.db2.gz HUHUFQHRNWJNBC-LLVKDONJSA-N 2 2 303.269 3.085 20 0 DGADLP CCC[N@H+](Cc1cc(Br)ccc1C)[C@H]1CC[NH2+]C1 ZINC000313671578 1199772664 /nfs/dbraw/zinc/77/26/64/1199772664.db2.gz CMJMQNUWGFLAAQ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1cc(Br)ccc1C)[C@H]1CC[NH2+]C1 ZINC000313671578 1199772669 /nfs/dbraw/zinc/77/26/69/1199772669.db2.gz CMJMQNUWGFLAAQ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000116877972 1199815420 /nfs/dbraw/zinc/81/54/20/1199815420.db2.gz MPRSZTUVIINQCY-OAHLLOKOSA-N 2 2 310.445 3.019 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC000319317345 1199837857 /nfs/dbraw/zinc/83/78/57/1199837857.db2.gz MJAXDLKCAPOLBY-SUMWQHHRSA-N 2 2 317.458 3.272 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC000319317345 1199837866 /nfs/dbraw/zinc/83/78/66/1199837866.db2.gz MJAXDLKCAPOLBY-SUMWQHHRSA-N 2 2 317.458 3.272 20 0 DGADLP CC(C)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000126288381 1200514612 /nfs/dbraw/zinc/51/46/12/1200514612.db2.gz KUTBVSPLTDCZSY-UHFFFAOYSA-N 2 2 322.412 3.344 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000135901554 1201206470 /nfs/dbraw/zinc/20/64/70/1201206470.db2.gz DJRJPUSZUCPJAH-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CC2CCC2)C(C)C)c(C)[nH+]1 ZINC001698968483 1201622395 /nfs/dbraw/zinc/62/23/95/1201622395.db2.gz XJLXSQSQPMIVSJ-KRWDZBQOSA-N 2 2 317.477 3.151 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152901525 1202595449 /nfs/dbraw/zinc/59/54/49/1202595449.db2.gz OJZOYRYJXIJZLJ-VXGBXAGGSA-N 2 2 301.356 3.063 20 0 DGADLP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC1CC1 ZINC001713018754 1202610376 /nfs/dbraw/zinc/61/03/76/1202610376.db2.gz BFSQPJOASSIOEX-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC1CC1 ZINC001713018754 1202610377 /nfs/dbraw/zinc/61/03/77/1202610377.db2.gz BFSQPJOASSIOEX-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](CCC(C)C)C2CC2)c(C)[nH+]1 ZINC001713559452 1202670552 /nfs/dbraw/zinc/67/05/52/1202670552.db2.gz UCKPFJHETBEGCG-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](CCC(C)C)C2CC2)c(C)[nH+]1 ZINC001713559452 1202670553 /nfs/dbraw/zinc/67/05/53/1202670553.db2.gz UCKPFJHETBEGCG-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715381345 1203329763 /nfs/dbraw/zinc/32/97/63/1203329763.db2.gz DDZHWCGSJUAXOW-OAHLLOKOSA-N 2 2 316.449 3.097 20 0 DGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001724790975 1204047941 /nfs/dbraw/zinc/04/79/41/1204047941.db2.gz HWPZZHZLTDLIGM-CYBMUJFWSA-N 2 2 317.477 3.295 20 0 DGADLP CCCC[NH2+]CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725392627 1204144796 /nfs/dbraw/zinc/14/47/96/1204144796.db2.gz GTQRJNZBMUVWAT-AWEZNQCLSA-N 2 2 305.466 3.295 20 0 DGADLP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001732524327 1204880878 /nfs/dbraw/zinc/88/08/78/1204880878.db2.gz MGFHZUVBGSTDGN-WBVHZDCISA-N 2 2 317.477 3.247 20 0 DGADLP CC[C@H](C)C[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001732561281 1204897535 /nfs/dbraw/zinc/89/75/35/1204897535.db2.gz ATQQWSBXHAYULE-SUMWQHHRSA-N 2 2 319.493 3.397 20 0 DGADLP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733539646 1205158722 /nfs/dbraw/zinc/15/87/22/1205158722.db2.gz YNWWFBVQNZPFNF-DOTOQJQBSA-N 2 2 317.477 3.247 20 0 DGADLP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734239261 1205348394 /nfs/dbraw/zinc/34/83/94/1205348394.db2.gz DPFQBSZHNMUEBC-AWEZNQCLSA-N 2 2 314.433 3.017 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164619615 719056156 /nfs/dbraw/zinc/05/61/56/719056156.db2.gz CYLDKDFMVKZKMP-MJGOQNOKSA-N 2 2 323.440 3.191 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164619615 719056162 /nfs/dbraw/zinc/05/61/62/719056162.db2.gz CYLDKDFMVKZKMP-MJGOQNOKSA-N 2 2 323.440 3.191 20 0 DGADLP CC[N@H+](Cc1cc(Br)cs1)C1CC[NH+](C)CC1 ZINC001204027268 1081603716 /nfs/dbraw/zinc/60/37/16/1081603716.db2.gz UOIBYIHISZCZOO-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP CC[N@@H+](Cc1cc(Br)cs1)C1CC[NH+](C)CC1 ZINC001204027268 1081603719 /nfs/dbraw/zinc/60/37/19/1081603719.db2.gz UOIBYIHISZCZOO-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP COc1ccc(F)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1Cl ZINC001143373114 1081610614 /nfs/dbraw/zinc/61/06/14/1081610614.db2.gz RWRXWZGNORLXBG-UHFFFAOYSA-N 2 2 312.816 3.015 20 0 DGADLP COCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001209219041 1081700859 /nfs/dbraw/zinc/70/08/59/1081700859.db2.gz CCYMHGZKXFIGDI-MTQWCTHYSA-N 2 2 318.505 3.308 20 0 DGADLP COCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001209219041 1081700861 /nfs/dbraw/zinc/70/08/61/1081700861.db2.gz CCYMHGZKXFIGDI-MTQWCTHYSA-N 2 2 318.505 3.308 20 0 DGADLP COCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209219041 1081700864 /nfs/dbraw/zinc/70/08/64/1081700864.db2.gz CCYMHGZKXFIGDI-MTQWCTHYSA-N 2 2 318.505 3.308 20 0 DGADLP COCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209219041 1081700867 /nfs/dbraw/zinc/70/08/67/1081700867.db2.gz CCYMHGZKXFIGDI-MTQWCTHYSA-N 2 2 318.505 3.308 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001204485873 1081874260 /nfs/dbraw/zinc/87/42/60/1081874260.db2.gz QIMBEUQTCPATOO-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001204485873 1081874265 /nfs/dbraw/zinc/87/42/65/1081874265.db2.gz QIMBEUQTCPATOO-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001204485873 1081874269 /nfs/dbraw/zinc/87/42/69/1081874269.db2.gz QIMBEUQTCPATOO-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]2C1 ZINC001204485873 1081874273 /nfs/dbraw/zinc/87/42/73/1081874273.db2.gz QIMBEUQTCPATOO-OLZOCXBDSA-N 2 2 316.342 3.228 20 0 DGADLP CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072924312 1082065765 /nfs/dbraw/zinc/06/57/65/1082065765.db2.gz BOLDVILVKOSWRY-QGZVFWFLSA-N 2 2 301.434 3.007 20 0 DGADLP C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144794 1082202071 /nfs/dbraw/zinc/20/20/71/1082202071.db2.gz OOYRLVIWZNEHHD-WMZOPIPTSA-N 2 2 316.493 3.039 20 0 DGADLP C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144794 1082202078 /nfs/dbraw/zinc/20/20/78/1082202078.db2.gz OOYRLVIWZNEHHD-WMZOPIPTSA-N 2 2 316.493 3.039 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCCCCC1 ZINC001170410141 1082369106 /nfs/dbraw/zinc/36/91/06/1082369106.db2.gz FBFXGABNFYOCHH-KRWDZBQOSA-N 2 2 318.461 3.202 20 0 DGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483947 1082557280 /nfs/dbraw/zinc/55/72/80/1082557280.db2.gz RNFNNGQNEGVPJW-INIZCTEOSA-N 2 2 322.497 3.043 20 0 DGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170484251 1082561763 /nfs/dbraw/zinc/56/17/63/1082561763.db2.gz XKWKABUDWJNIIY-INIZCTEOSA-N 2 2 322.497 3.187 20 0 DGADLP [NH3+]Cc1cccn1-c1cc[nH+]c2ccc(Br)cc21 ZINC001167592995 1082576616 /nfs/dbraw/zinc/57/66/16/1082576616.db2.gz GUZSEAVQGVSVLS-UHFFFAOYSA-N 2 2 302.175 3.247 20 0 DGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001167625283 1082619746 /nfs/dbraw/zinc/61/97/46/1082619746.db2.gz JMZMSYXPEWOWPB-UHFFFAOYSA-N 2 2 316.371 3.167 20 0 DGADLP Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc(OC(F)F)[nH+]1 ZINC001167626605 1082621816 /nfs/dbraw/zinc/62/18/16/1082621816.db2.gz OXTHQJSLXSBBER-UHFFFAOYSA-N 2 2 313.392 3.476 20 0 DGADLP C[C@@H](Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)[C@@H]1C[NH2+]CCO1 ZINC001170571800 1082690571 /nfs/dbraw/zinc/69/05/71/1082690571.db2.gz FNCPFSKAURJROW-ACJLOTCBSA-N 2 2 322.412 3.019 20 0 DGADLP CCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133001665 1083027106 /nfs/dbraw/zinc/02/71/06/1083027106.db2.gz DTONZDLHAYIGLJ-GUYCJALGSA-N 2 2 317.477 3.105 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cscc2Br)C1 ZINC000309462292 1083070003 /nfs/dbraw/zinc/07/00/03/1083070003.db2.gz SAEXNPUEPLWVGG-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cscc2Br)C1 ZINC000309462292 1083070005 /nfs/dbraw/zinc/07/00/05/1083070005.db2.gz SAEXNPUEPLWVGG-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715121 1083222160 /nfs/dbraw/zinc/22/21/60/1083222160.db2.gz KCZSSYOOBLRYEF-OAHLLOKOSA-N 2 2 305.372 3.041 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715121 1083222161 /nfs/dbraw/zinc/22/21/61/1083222161.db2.gz KCZSSYOOBLRYEF-OAHLLOKOSA-N 2 2 305.372 3.041 20 0 DGADLP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545446 1083302864 /nfs/dbraw/zinc/30/28/64/1083302864.db2.gz OVAYNZUTJULMQD-LSDHHAIUSA-N 2 2 322.497 3.042 20 0 DGADLP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545446 1083302866 /nfs/dbraw/zinc/30/28/66/1083302866.db2.gz OVAYNZUTJULMQD-LSDHHAIUSA-N 2 2 322.497 3.042 20 0 DGADLP CC1(C)[C@@H]2C[C@@H](N(c3cc[nH+]cc3F)C3CC[NH2+]CC3)C[C@@H]21 ZINC001170766356 1083319880 /nfs/dbraw/zinc/31/98/80/1083319880.db2.gz LWJNPJMUKABPFA-QKDCVEJESA-N 2 2 303.425 3.214 20 0 DGADLP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739959 1083326718 /nfs/dbraw/zinc/32/67/18/1083326718.db2.gz MJYNNLRMHBZZOI-KBPBESRZSA-N 2 2 316.449 3.096 20 0 DGADLP CC/C=C\CC[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001481260642 1083339664 /nfs/dbraw/zinc/33/96/64/1083339664.db2.gz XEBJIADZLUBHCV-FPLPWBNLSA-N 2 2 303.450 3.025 20 0 DGADLP Cc1csc2nc(C)c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)n12 ZINC001181708291 1083517258 /nfs/dbraw/zinc/51/72/58/1083517258.db2.gz UOFCBZWYHVSZCH-YIONKMFJSA-N 2 2 318.490 3.070 20 0 DGADLP Cc1csc2nc(C)c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)n12 ZINC001181708291 1083517270 /nfs/dbraw/zinc/51/72/70/1083517270.db2.gz UOFCBZWYHVSZCH-YIONKMFJSA-N 2 2 318.490 3.070 20 0 DGADLP Cc1csc2nc(C)c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)n12 ZINC001181708291 1083517277 /nfs/dbraw/zinc/51/72/77/1083517277.db2.gz UOFCBZWYHVSZCH-YIONKMFJSA-N 2 2 318.490 3.070 20 0 DGADLP Cc1csc2nc(C)c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n12 ZINC001181708291 1083517288 /nfs/dbraw/zinc/51/72/88/1083517288.db2.gz UOFCBZWYHVSZCH-YIONKMFJSA-N 2 2 318.490 3.070 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205280882 1084018102 /nfs/dbraw/zinc/01/81/02/1084018102.db2.gz KWOQKESHVFKLAF-ZDUSSCGKSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205280882 1084018112 /nfs/dbraw/zinc/01/81/12/1084018112.db2.gz KWOQKESHVFKLAF-ZDUSSCGKSA-N 2 2 321.774 3.457 20 0 DGADLP CCc1cc(NC[C@H](c2ccsc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001184766282 1084260627 /nfs/dbraw/zinc/26/06/27/1084260627.db2.gz CSPZNJCAFNIMNR-CQSZACIVSA-N 2 2 304.463 3.378 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc3sccc3nc2Cl)C[C@@H]1C[NH3+] ZINC001205319080 1084306199 /nfs/dbraw/zinc/30/61/99/1084306199.db2.gz YKIYZUWYNDHNDG-JQWIXIFHSA-N 2 2 309.866 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc3sccc3nc2Cl)C[C@@H]1C[NH3+] ZINC001205319080 1084306205 /nfs/dbraw/zinc/30/62/05/1084306205.db2.gz YKIYZUWYNDHNDG-JQWIXIFHSA-N 2 2 309.866 3.366 20 0 DGADLP C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n2c[nH+]cc12 ZINC001185254468 1084394572 /nfs/dbraw/zinc/39/45/72/1084394572.db2.gz VSZUHXKYJMQLQR-DZGCQCFKSA-N 2 2 309.417 3.167 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167896340 1084434933 /nfs/dbraw/zinc/43/49/33/1084434933.db2.gz BDURMBFIOITVPW-VQFNDLOPSA-N 2 2 300.446 3.048 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001185864791 1084546423 /nfs/dbraw/zinc/54/64/23/1084546423.db2.gz FKDDMBNHQXTSJH-MRXNPFEDSA-N 2 2 316.493 3.444 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001185864791 1084546426 /nfs/dbraw/zinc/54/64/26/1084546426.db2.gz FKDDMBNHQXTSJH-MRXNPFEDSA-N 2 2 316.493 3.444 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)[nH+]1 ZINC001186695659 1084688740 /nfs/dbraw/zinc/68/87/40/1084688740.db2.gz FWKDBPCYKXHFJA-HNNXBMFYSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)[nH+]1 ZINC001186695659 1084688744 /nfs/dbraw/zinc/68/87/44/1084688744.db2.gz FWKDBPCYKXHFJA-HNNXBMFYSA-N 2 2 310.445 3.058 20 0 DGADLP Cc1cc(CC(C)C)[nH+]cc1Nc1cnn(CCC[NH+](C)C)c1 ZINC001186969325 1084733013 /nfs/dbraw/zinc/73/30/13/1084733013.db2.gz YFCOEEKQZHEPCD-UHFFFAOYSA-N 2 2 315.465 3.480 20 0 DGADLP CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001482388795 1086114247 /nfs/dbraw/zinc/11/42/47/1086114247.db2.gz CBRQIXOCPWBWPZ-INIZCTEOSA-N 2 2 305.466 3.151 20 0 DGADLP C[C@@H]1CC([NH2+]C2CC[NH+](C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007345 1086161777 /nfs/dbraw/zinc/16/17/77/1086161777.db2.gz RMASUWUKIDEGFA-IAGOWNOFSA-N 3 2 315.505 3.112 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009117 1086176016 /nfs/dbraw/zinc/17/60/16/1086176016.db2.gz GYABSUUDNWHSBR-OPVJXMOQSA-N 3 2 317.521 3.487 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009117 1086176022 /nfs/dbraw/zinc/17/60/22/1086176022.db2.gz GYABSUUDNWHSBR-OPVJXMOQSA-N 3 2 317.521 3.487 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009117 1086176025 /nfs/dbraw/zinc/17/60/25/1086176025.db2.gz GYABSUUDNWHSBR-OPVJXMOQSA-N 3 2 317.521 3.487 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009117 1086176031 /nfs/dbraw/zinc/17/60/31/1086176031.db2.gz GYABSUUDNWHSBR-OPVJXMOQSA-N 3 2 317.521 3.487 20 0 DGADLP Cc1ncncc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034010 1086473702 /nfs/dbraw/zinc/47/37/02/1086473702.db2.gz OBVMUYBFZQPVCT-CWPLJXCYSA-N 2 2 324.472 3.316 20 0 DGADLP Cc1ncncc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034010 1086473710 /nfs/dbraw/zinc/47/37/10/1086473710.db2.gz OBVMUYBFZQPVCT-CWPLJXCYSA-N 2 2 324.472 3.316 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CC[C@H](C)F)C(C)C)c(C)[nH+]1 ZINC001482544078 1086838281 /nfs/dbraw/zinc/83/82/81/1086838281.db2.gz XMZZUPSKPYDMCJ-XJKSGUPXSA-N 2 2 323.456 3.099 20 0 DGADLP C[N@H+](Cc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000093994428 1087572920 /nfs/dbraw/zinc/57/29/20/1087572920.db2.gz MYGZONNJSPKAJH-UHFFFAOYSA-N 2 2 315.230 3.114 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000093994428 1087572921 /nfs/dbraw/zinc/57/29/21/1087572921.db2.gz MYGZONNJSPKAJH-UHFFFAOYSA-N 2 2 315.230 3.114 20 0 DGADLP C[C@@H]1CN(c2ccc(Nc3ccc4c(c3)C[NH2+]C4)c[nH+]2)C[C@H](C)O1 ZINC001159167730 1088217302 /nfs/dbraw/zinc/21/73/02/1088217302.db2.gz PTUPOZWQLJTLKR-OKILXGFUSA-N 2 2 324.428 3.042 20 0 DGADLP c1cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)[nH+]c(C2CCC2)c1 ZINC001159366318 1088319518 /nfs/dbraw/zinc/31/95/18/1088319518.db2.gz VXTNDVOJEJXEIY-UHFFFAOYSA-N 2 2 322.456 3.498 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206649069 1088325861 /nfs/dbraw/zinc/32/58/61/1088325861.db2.gz PTPAMLIMHVYXCZ-CYBMUJFWSA-N 2 2 312.404 3.313 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206649069 1088325880 /nfs/dbraw/zinc/32/58/80/1088325880.db2.gz PTPAMLIMHVYXCZ-CYBMUJFWSA-N 2 2 312.404 3.313 20 0 DGADLP CCN(CC)c1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc[nH+]1 ZINC001159397201 1088335614 /nfs/dbraw/zinc/33/56/14/1088335614.db2.gz IRLSSRUEQAYFKY-UHFFFAOYSA-N 2 2 319.497 3.386 20 0 DGADLP CCN(CC)c1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]cn1 ZINC001159397201 1088335630 /nfs/dbraw/zinc/33/56/30/1088335630.db2.gz IRLSSRUEQAYFKY-UHFFFAOYSA-N 2 2 319.497 3.386 20 0 DGADLP Cc1cc(Nc2[nH+]cccc2C(C)C)cnc1N1CC[NH2+]CC1 ZINC001159417400 1088341706 /nfs/dbraw/zinc/34/17/06/1088341706.db2.gz ZJJHPDLBBILASW-UHFFFAOYSA-N 2 2 311.433 3.062 20 0 DGADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001159922009 1088553985 /nfs/dbraw/zinc/55/39/85/1088553985.db2.gz GETGOSUZEVFKNB-KRWDZBQOSA-N 2 2 324.428 3.166 20 0 DGADLP c1cc2c([nH]1)[nH+]ccc2Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159946178 1088562646 /nfs/dbraw/zinc/56/26/46/1088562646.db2.gz IYFCFYWXRIVCTH-HNNXBMFYSA-N 2 2 308.385 3.389 20 0 DGADLP Cc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc(C2CC2)[nH+]1 ZINC001159953579 1088572286 /nfs/dbraw/zinc/57/22/86/1088572286.db2.gz VQFRYHKUBCINMH-AWEZNQCLSA-N 2 2 318.424 3.422 20 0 DGADLP Cc1ccc(Nc2ccc(OC3CC[NH2+]CC3)c(F)c2)[nH+]c1 ZINC001160101714 1088640593 /nfs/dbraw/zinc/64/05/93/1088640593.db2.gz XDSFPUOZDIVCLC-UHFFFAOYSA-N 2 2 301.365 3.404 20 0 DGADLP COc1cc[nH+]cc1Nc1c(F)cccc1OC1CC[NH2+]CC1 ZINC001160149343 1088671751 /nfs/dbraw/zinc/67/17/51/1088671751.db2.gz JLHNSAWFLURGPU-UHFFFAOYSA-N 2 2 317.364 3.104 20 0 DGADLP Cc1cc(C)c(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC001160184337 1088690658 /nfs/dbraw/zinc/69/06/58/1088690658.db2.gz HBHJVUMRZMQFJA-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc(-c3ccnc(Cl)c3)cc[nH+]2)C1 ZINC001154975069 1088864633 /nfs/dbraw/zinc/86/46/33/1088864633.db2.gz GTYCKYJVLNQJAE-ZIAGYGMSSA-N 2 2 302.809 3.479 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cccc2OCc2ccc(F)cc2)C1 ZINC001154990936 1088879102 /nfs/dbraw/zinc/87/91/02/1088879102.db2.gz ZEQYKVXMMKDCTL-CVEARBPZSA-N 2 2 315.392 3.482 20 0 DGADLP COc1ccc2nc(-n3c[nH+]cc3C3CC[NH2+]CC3)cc(C)c2c1 ZINC001155057732 1088923707 /nfs/dbraw/zinc/92/37/07/1088923707.db2.gz NZHOSVOAULUVJW-UHFFFAOYSA-N 2 2 322.412 3.205 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001155097859 1088943617 /nfs/dbraw/zinc/94/36/17/1088943617.db2.gz ZUZRMHCNLUYLBB-LJQANCHMSA-N 2 2 323.440 3.288 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001155097859 1088943637 /nfs/dbraw/zinc/94/36/37/1088943637.db2.gz ZUZRMHCNLUYLBB-LJQANCHMSA-N 2 2 323.440 3.288 20 0 DGADLP CCCc1cc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)nc(C)[nH+]1 ZINC001155096369 1088943740 /nfs/dbraw/zinc/94/37/40/1088943740.db2.gz QYIRZHDKWTYNNK-LJQANCHMSA-N 2 2 322.456 3.157 20 0 DGADLP CCCc1cc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)nc(C)[nH+]1 ZINC001155096369 1088943755 /nfs/dbraw/zinc/94/37/55/1088943755.db2.gz QYIRZHDKWTYNNK-LJQANCHMSA-N 2 2 322.456 3.157 20 0 DGADLP COc1ccc2ccc(NC[C@@]3(F)CCCC[NH2+]C3)[nH+]c2c1 ZINC001155115741 1088955604 /nfs/dbraw/zinc/95/56/04/1088955604.db2.gz CMXUXJDRGFKHFO-QGZVFWFLSA-N 2 2 303.381 3.137 20 0 DGADLP Cc1nc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c2c([nH+]1)CCC2 ZINC001161680427 1089342447 /nfs/dbraw/zinc/34/24/47/1089342447.db2.gz PCCMREJHKNKKKQ-SHTZXODSSA-N 2 2 316.493 3.396 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161682707 1089344407 /nfs/dbraw/zinc/34/44/07/1089344407.db2.gz WUBNWLPOHPFSJN-INIZCTEOSA-N 2 2 313.449 3.155 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161682707 1089344422 /nfs/dbraw/zinc/34/44/22/1089344422.db2.gz WUBNWLPOHPFSJN-INIZCTEOSA-N 2 2 313.449 3.155 20 0 DGADLP CC(C)n1ccc2c1nc[nH+]c2NCc1[nH+]cn2ccccc12 ZINC001161685631 1089348447 /nfs/dbraw/zinc/34/84/47/1089348447.db2.gz KRXITIAOUJXEQL-UHFFFAOYSA-N 2 2 306.373 3.272 20 0 DGADLP Cc1nc(N2CCC3(CC2)CC[NH+](C)CC3)cc(C(C)C)[nH+]1 ZINC001156563758 1089586748 /nfs/dbraw/zinc/58/67/48/1089586748.db2.gz JZKAKWJADLNYDW-UHFFFAOYSA-N 2 2 302.466 3.221 20 0 DGADLP CN(c1[nH+]c(N2CCCC2)cc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001156977135 1089773365 /nfs/dbraw/zinc/77/33/65/1089773365.db2.gz PXVDIKNKMGHTLL-HXUWFJFHSA-N 2 2 324.472 3.413 20 0 DGADLP Cc1nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)cc(C2CCCCC2)[nH+]1 ZINC001162805510 1089966052 /nfs/dbraw/zinc/96/60/52/1089966052.db2.gz VWHXBTMCKXTCJV-GJZGRUSLSA-N 2 2 306.429 3.192 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001162910510 1090021642 /nfs/dbraw/zinc/02/16/42/1090021642.db2.gz OISCPKPGODUESX-UHFFFAOYSA-N 2 2 317.477 3.153 20 0 DGADLP Cc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[NH+](C)C ZINC001162967649 1090039968 /nfs/dbraw/zinc/03/99/68/1090039968.db2.gz SRUZPJICGZFCTL-KRWDZBQOSA-N 2 2 317.477 3.022 20 0 DGADLP COc1ccc([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)c2[nH]ccc21 ZINC001163061479 1090066547 /nfs/dbraw/zinc/06/65/47/1090066547.db2.gz VZYJUHLEHUQHJY-AWEZNQCLSA-N 2 2 324.428 3.200 20 0 DGADLP C[C@H]1[C@@H]([NH3+])CCCN1c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001157744606 1090094260 /nfs/dbraw/zinc/09/42/60/1090094260.db2.gz LLIBOPUIHUNBNX-YOEHRIQHSA-N 2 2 310.445 3.151 20 0 DGADLP [NH3+]C[C@@]1(F)CCN(c2cc(SCc3ccccc3)cc[nH+]2)C1 ZINC001157816687 1090120375 /nfs/dbraw/zinc/12/03/75/1090120375.db2.gz LWWWYMGAQVIIOP-KRWDZBQOSA-N 2 2 317.433 3.251 20 0 DGADLP c1ccc(-c2ccc[nH+]c2NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001163271108 1090135544 /nfs/dbraw/zinc/13/55/44/1090135544.db2.gz PKFSYYSMWNVMFO-OXJNMPFZSA-N 2 2 323.440 3.319 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001163331534 1090153906 /nfs/dbraw/zinc/15/39/06/1090153906.db2.gz CSTSOSZAQHTAGC-APWZRJJASA-N 2 2 317.477 3.164 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc1NC(C)C ZINC001163358583 1090162406 /nfs/dbraw/zinc/16/24/06/1090162406.db2.gz UYLQTPZFLVJZTL-HUUCEWRRSA-N 2 2 305.470 3.136 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1NC(C)C ZINC001163358583 1090162408 /nfs/dbraw/zinc/16/24/08/1090162408.db2.gz UYLQTPZFLVJZTL-HUUCEWRRSA-N 2 2 305.470 3.136 20 0 DGADLP COc1cc2cc[nH+]c(N3CCC[C@](C)(C[NH3+])CC3)c2cc1F ZINC001164249035 1090386626 /nfs/dbraw/zinc/38/66/26/1090386626.db2.gz ADHQBXZHQVLUPN-SFHVURJKSA-N 2 2 317.408 3.338 20 0 DGADLP CCc1nc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC001165202794 1090480124 /nfs/dbraw/zinc/48/01/24/1090480124.db2.gz OYSQBAAWNQPIKJ-DLBZAZTESA-N 2 2 324.472 3.447 20 0 DGADLP CCc1nc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC001165202794 1090480126 /nfs/dbraw/zinc/48/01/26/1090480126.db2.gz OYSQBAAWNQPIKJ-DLBZAZTESA-N 2 2 324.472 3.447 20 0 DGADLP Cc1c(F)cc[nH+]c1N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001165266364 1090493295 /nfs/dbraw/zinc/49/32/95/1090493295.db2.gz LRTMRDOWCZJULM-CYBMUJFWSA-N 2 2 317.330 3.040 20 0 DGADLP Cc1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc(C(C)(C)C)[nH+]1 ZINC001165323327 1090504007 /nfs/dbraw/zinc/50/40/07/1090504007.db2.gz OSYOIZFPTNEMHC-INIZCTEOSA-N 2 2 316.493 3.441 20 0 DGADLP Cc1cc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001165350959 1090509966 /nfs/dbraw/zinc/50/99/66/1090509966.db2.gz LDQRMHRDWRLRAQ-DLBZAZTESA-N 2 2 322.456 3.158 20 0 DGADLP CCC1(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2OC)C[NH2+]C1 ZINC001168586057 1090588051 /nfs/dbraw/zinc/58/80/51/1090588051.db2.gz DFJHMIDZBLDYGE-UHFFFAOYSA-N 2 2 322.412 3.198 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168587016 1090589076 /nfs/dbraw/zinc/58/90/76/1090589076.db2.gz UTOIYNBFVITVRS-PKOBYXMFSA-N 2 2 320.477 3.237 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168587016 1090589077 /nfs/dbraw/zinc/58/90/77/1090589077.db2.gz UTOIYNBFVITVRS-PKOBYXMFSA-N 2 2 320.477 3.237 20 0 DGADLP CCCC[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166300832 1090595103 /nfs/dbraw/zinc/59/51/03/1090595103.db2.gz FPBPMUMPBVGGPJ-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2nonc21 ZINC001203141135 1090702353 /nfs/dbraw/zinc/70/23/53/1090702353.db2.gz XGPNCIZIKCJLSI-UHFFFAOYSA-N 2 2 319.368 3.041 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2nonc21 ZINC001203141135 1090702359 /nfs/dbraw/zinc/70/23/59/1090702359.db2.gz XGPNCIZIKCJLSI-UHFFFAOYSA-N 2 2 319.368 3.041 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001203766088 1090800982 /nfs/dbraw/zinc/80/09/82/1090800982.db2.gz RFHPNWICKWUUFL-UHFFFAOYSA-N 2 2 311.267 3.365 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001203766088 1090800985 /nfs/dbraw/zinc/80/09/85/1090800985.db2.gz RFHPNWICKWUUFL-UHFFFAOYSA-N 2 2 311.267 3.365 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001203900733 1090833663 /nfs/dbraw/zinc/83/36/63/1090833663.db2.gz ZNEMCASPLGSINH-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001203900733 1090833668 /nfs/dbraw/zinc/83/36/68/1090833668.db2.gz ZNEMCASPLGSINH-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP CC[C@H](C)C[C@@H](C)Nc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001168695634 1090885347 /nfs/dbraw/zinc/88/53/47/1090885347.db2.gz QPJXDSRXDFFADX-DZGCQCFKSA-N 2 2 319.497 3.197 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C(C)=O)c3ccccc23)CC1 ZINC001204409094 1090963271 /nfs/dbraw/zinc/96/32/71/1090963271.db2.gz RIPVIRXHKJOKRM-UHFFFAOYSA-N 2 2 313.445 3.218 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C(C)=O)c3ccccc23)CC1 ZINC001204409094 1090963276 /nfs/dbraw/zinc/96/32/76/1090963276.db2.gz RIPVIRXHKJOKRM-UHFFFAOYSA-N 2 2 313.445 3.218 20 0 DGADLP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204482088 1090980058 /nfs/dbraw/zinc/98/00/58/1090980058.db2.gz DAVRGFLPSIBVCT-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204482088 1090980060 /nfs/dbraw/zinc/98/00/60/1090980060.db2.gz DAVRGFLPSIBVCT-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP CS[C@@H](C)CC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001276470420 1090989761 /nfs/dbraw/zinc/98/97/61/1090989761.db2.gz LHRVPDRLUYQRBA-ZDUSSCGKSA-N 2 2 324.456 3.478 20 0 DGADLP CS[C@@H](C)CC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001276470420 1090989765 /nfs/dbraw/zinc/98/97/65/1090989765.db2.gz LHRVPDRLUYQRBA-ZDUSSCGKSA-N 2 2 324.456 3.478 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001204519618 1090989626 /nfs/dbraw/zinc/98/96/26/1090989626.db2.gz ISFVRGAHIIGDMM-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001204810183 1091041153 /nfs/dbraw/zinc/04/11/53/1091041153.db2.gz ORNHTJHKPKYUOH-QGZVFWFLSA-N 2 2 301.821 3.325 20 0 DGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001204810183 1091041160 /nfs/dbraw/zinc/04/11/60/1091041160.db2.gz ORNHTJHKPKYUOH-QGZVFWFLSA-N 2 2 301.821 3.325 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2)C1 ZINC001205009442 1091083435 /nfs/dbraw/zinc/08/34/35/1091083435.db2.gz SSCMIHSNVGKXPX-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2)C1 ZINC001205009442 1091083442 /nfs/dbraw/zinc/08/34/42/1091083442.db2.gz SSCMIHSNVGKXPX-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204885370 1091055540 /nfs/dbraw/zinc/05/55/40/1091055540.db2.gz RFTBDHZGBYGVMP-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204885370 1091055546 /nfs/dbraw/zinc/05/55/46/1091055546.db2.gz RFTBDHZGBYGVMP-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP C[NH+](C)CCOc1cc(F)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204996911 1091079576 /nfs/dbraw/zinc/07/95/76/1091079576.db2.gz AAMVOGXOVUWVST-UHFFFAOYSA-N 2 2 314.364 3.157 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001205008426 1091082167 /nfs/dbraw/zinc/08/21/67/1091082167.db2.gz AKRJQJRWDHAHDO-OAHLLOKOSA-N 2 2 301.409 3.048 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001205008426 1091082173 /nfs/dbraw/zinc/08/21/73/1091082173.db2.gz AKRJQJRWDHAHDO-OAHLLOKOSA-N 2 2 301.409 3.048 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)ccc2Br)C1 ZINC001205009525 1091083529 /nfs/dbraw/zinc/08/35/29/1091083529.db2.gz WAPUKMKQAXKTQS-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2Br)C1 ZINC001205009525 1091083535 /nfs/dbraw/zinc/08/35/35/1091083535.db2.gz WAPUKMKQAXKTQS-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205089129 1091099945 /nfs/dbraw/zinc/09/99/45/1091099945.db2.gz YKMOSCNXLCTCDB-BBRMVZONSA-N 2 2 315.461 3.224 20 0 DGADLP COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205089129 1091099950 /nfs/dbraw/zinc/09/99/50/1091099950.db2.gz YKMOSCNXLCTCDB-BBRMVZONSA-N 2 2 315.461 3.224 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(F)cc(F)c(F)c3F)cc2)C1 ZINC001205191412 1091124549 /nfs/dbraw/zinc/12/45/49/1091124549.db2.gz MOPOHOWMZHBYJL-GFCCVEGCSA-N 2 2 324.321 3.443 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(F)cc(F)c(F)c3F)cc2)C1 ZINC001205191412 1091124551 /nfs/dbraw/zinc/12/45/51/1091124551.db2.gz MOPOHOWMZHBYJL-GFCCVEGCSA-N 2 2 324.321 3.443 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001205202344 1091129053 /nfs/dbraw/zinc/12/90/53/1091129053.db2.gz RIADCDPHNLIDJR-FOIQADDNSA-N 2 2 309.457 3.341 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001205202344 1091129059 /nfs/dbraw/zinc/12/90/59/1091129059.db2.gz RIADCDPHNLIDJR-FOIQADDNSA-N 2 2 309.457 3.341 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001205280774 1091162400 /nfs/dbraw/zinc/16/24/00/1091162400.db2.gz INVMWBNFFNECAC-CQSZACIVSA-N 2 2 302.340 3.114 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001205280774 1091162406 /nfs/dbraw/zinc/16/24/06/1091162406.db2.gz INVMWBNFFNECAC-CQSZACIVSA-N 2 2 302.340 3.114 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317785 1091181812 /nfs/dbraw/zinc/18/18/12/1091181812.db2.gz QGDHWIKGYKAXMD-KOLCDFICSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205317785 1091181820 /nfs/dbraw/zinc/18/18/20/1091181820.db2.gz QGDHWIKGYKAXMD-KOLCDFICSA-N 2 2 317.296 3.236 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205304315 1091174989 /nfs/dbraw/zinc/17/49/89/1091174989.db2.gz NSHGDXFVWPJDMH-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205304315 1091174996 /nfs/dbraw/zinc/17/49/96/1091174996.db2.gz NSHGDXFVWPJDMH-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001138449113 1091189462 /nfs/dbraw/zinc/18/94/62/1091189462.db2.gz FSIFHODNLPJDIP-UHFFFAOYSA-N 2 2 324.472 3.444 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001138449113 1091189471 /nfs/dbraw/zinc/18/94/71/1091189471.db2.gz FSIFHODNLPJDIP-UHFFFAOYSA-N 2 2 324.472 3.444 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC001138450409 1091189849 /nfs/dbraw/zinc/18/98/49/1091189849.db2.gz RSURBCNIEGNMRN-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC001138450409 1091189857 /nfs/dbraw/zinc/18/98/57/1091189857.db2.gz RSURBCNIEGNMRN-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)c2c1 ZINC001205339757 1091191065 /nfs/dbraw/zinc/19/10/65/1091191065.db2.gz MAFAXOQMNUEHBM-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)c2c1 ZINC001205339757 1091191070 /nfs/dbraw/zinc/19/10/70/1091191070.db2.gz MAFAXOQMNUEHBM-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)c2c1 ZINC001205339760 1091191379 /nfs/dbraw/zinc/19/13/79/1091191379.db2.gz MAFAXOQMNUEHBM-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CC[NH2+]CC[C@H]3C)c2c1 ZINC001205339760 1091191387 /nfs/dbraw/zinc/19/13/87/1091191387.db2.gz MAFAXOQMNUEHBM-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205375852 1091203998 /nfs/dbraw/zinc/20/39/98/1091203998.db2.gz ABMMZXYRTUNXFC-APWZRJJASA-N 2 2 318.505 3.083 20 0 DGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205375852 1091204012 /nfs/dbraw/zinc/20/40/12/1091204012.db2.gz ABMMZXYRTUNXFC-APWZRJJASA-N 2 2 318.505 3.083 20 0 DGADLP CC[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)C(C)(C)C1 ZINC001138551854 1091225618 /nfs/dbraw/zinc/22/56/18/1091225618.db2.gz OKYVVODXVPJSOB-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3C)cc2)C(C)(C)C1 ZINC001138551854 1091225624 /nfs/dbraw/zinc/22/56/24/1091225624.db2.gz OKYVVODXVPJSOB-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3cc(C)sc3C)CC2)CC1 ZINC001138570409 1091236078 /nfs/dbraw/zinc/23/60/78/1091236078.db2.gz WFUHGIAJOXMKTC-UHFFFAOYSA-N 2 2 322.518 3.440 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC001138581363 1091241285 /nfs/dbraw/zinc/24/12/85/1091241285.db2.gz HDWUUQBFVBMABU-OAHLLOKOSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC001138581363 1091241293 /nfs/dbraw/zinc/24/12/93/1091241293.db2.gz HDWUUQBFVBMABU-OAHLLOKOSA-N 2 2 314.433 3.064 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3cc(OC)ccc23)CC1 ZINC001138592795 1091246811 /nfs/dbraw/zinc/24/68/11/1091246811.db2.gz ZHWZPHJENVQUDD-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3cc(OC)ccc23)CC1 ZINC001138592795 1091246819 /nfs/dbraw/zinc/24/68/19/1091246819.db2.gz ZHWZPHJENVQUDD-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP c1cc(OC2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)cc[nH+]1 ZINC001138715292 1091295510 /nfs/dbraw/zinc/29/55/10/1091295510.db2.gz ZXLGMWAKYSJAQX-UHFFFAOYSA-N 2 2 324.424 3.450 20 0 DGADLP CC(C)[N@H+](Cc1ccc2c(c1)CCCO2)C1CC[NH+](C)CC1 ZINC001138717332 1091296572 /nfs/dbraw/zinc/29/65/72/1091296572.db2.gz NSTJETGENKAISO-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2c(c1)CCCO2)C1CC[NH+](C)CC1 ZINC001138717332 1091296579 /nfs/dbraw/zinc/29/65/79/1091296579.db2.gz NSTJETGENKAISO-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP Cc1cc2[nH+]ccn2cc1-c1ccc(CC[NH+]2CCOCC2)cc1 ZINC001205664373 1091304696 /nfs/dbraw/zinc/30/46/96/1091304696.db2.gz RNCKPSXKGSRGDL-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP CCCC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205727921 1091324599 /nfs/dbraw/zinc/32/45/99/1091324599.db2.gz LHHPPLRANMOHEI-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CSc1cc(C)cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205795209 1091352793 /nfs/dbraw/zinc/35/27/93/1091352793.db2.gz DUUOQBRAKKRGFA-ZDUSSCGKSA-N 2 2 300.418 3.133 20 0 DGADLP CSc1cc(C)cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205795209 1091352804 /nfs/dbraw/zinc/35/28/04/1091352804.db2.gz DUUOQBRAKKRGFA-ZDUSSCGKSA-N 2 2 300.418 3.133 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826948 1091368864 /nfs/dbraw/zinc/36/88/64/1091368864.db2.gz DSFUEWILZNGXJU-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826948 1091368876 /nfs/dbraw/zinc/36/88/76/1091368876.db2.gz DSFUEWILZNGXJU-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828211 1091370249 /nfs/dbraw/zinc/37/02/49/1091370249.db2.gz KCIGVERCPCJHHB-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828211 1091370260 /nfs/dbraw/zinc/37/02/60/1091370260.db2.gz KCIGVERCPCJHHB-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205843755 1091375870 /nfs/dbraw/zinc/37/58/70/1091375870.db2.gz UNAVDYMCKJFMMY-YJBOKZPZSA-N 2 2 320.477 3.317 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205843755 1091375884 /nfs/dbraw/zinc/37/58/84/1091375884.db2.gz UNAVDYMCKJFMMY-YJBOKZPZSA-N 2 2 320.477 3.317 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205843751 1091376318 /nfs/dbraw/zinc/37/63/18/1091376318.db2.gz UNAVDYMCKJFMMY-QAPCUYQASA-N 2 2 320.477 3.317 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205843751 1091376329 /nfs/dbraw/zinc/37/63/29/1091376329.db2.gz UNAVDYMCKJFMMY-QAPCUYQASA-N 2 2 320.477 3.317 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001205844593 1091377511 /nfs/dbraw/zinc/37/75/11/1091377511.db2.gz XOBLTDWNOTVZSM-HIFRSBDPSA-N 2 2 318.852 3.085 20 0 DGADLP CCC(=O)Oc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001138967276 1091396254 /nfs/dbraw/zinc/39/62/54/1091396254.db2.gz FJBQOBVGQLIYQL-UHFFFAOYSA-N 2 2 318.461 3.307 20 0 DGADLP CCC(=O)Oc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001138967276 1091396258 /nfs/dbraw/zinc/39/62/58/1091396258.db2.gz FJBQOBVGQLIYQL-UHFFFAOYSA-N 2 2 318.461 3.307 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903309 1091402406 /nfs/dbraw/zinc/40/24/06/1091402406.db2.gz OHYLAOCOSBQNFT-AIQHZPKRSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903309 1091402410 /nfs/dbraw/zinc/40/24/10/1091402410.db2.gz OHYLAOCOSBQNFT-AIQHZPKRSA-N 2 2 323.278 3.482 20 0 DGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(OCC)c1 ZINC001138977574 1091402828 /nfs/dbraw/zinc/40/28/28/1091402828.db2.gz VKUQORXTEOIRPF-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(OCC)c1 ZINC001138977574 1091402839 /nfs/dbraw/zinc/40/28/39/1091402839.db2.gz VKUQORXTEOIRPF-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912920 1091407977 /nfs/dbraw/zinc/40/79/77/1091407977.db2.gz DXGZYILCOJYEGU-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC001205912920 1091407983 /nfs/dbraw/zinc/40/79/83/1091407983.db2.gz DXGZYILCOJYEGU-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c2c(OC)cccc12 ZINC001205931186 1091418463 /nfs/dbraw/zinc/41/84/63/1091418463.db2.gz HSYFAOHYIKULIQ-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c2c(OC)cccc12 ZINC001205931186 1091418472 /nfs/dbraw/zinc/41/84/72/1091418472.db2.gz HSYFAOHYIKULIQ-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205933032 1091420393 /nfs/dbraw/zinc/42/03/93/1091420393.db2.gz WDOGSAZYHUVPIB-ZDUSSCGKSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205933032 1091420398 /nfs/dbraw/zinc/42/03/98/1091420398.db2.gz WDOGSAZYHUVPIB-ZDUSSCGKSA-N 2 2 302.340 3.207 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CCCC[C@H]([NH3+])C2)c2ccccc12 ZINC001205937735 1091421903 /nfs/dbraw/zinc/42/19/03/1091421903.db2.gz CIQPKJVNMWLBOH-AWEZNQCLSA-N 2 2 314.429 3.170 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CCCC[C@H]([NH3+])C2)c2ccccc12 ZINC001205937735 1091421909 /nfs/dbraw/zinc/42/19/09/1091421909.db2.gz CIQPKJVNMWLBOH-AWEZNQCLSA-N 2 2 314.429 3.170 20 0 DGADLP Cc1cccc2c1C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139052729 1091430248 /nfs/dbraw/zinc/43/02/48/1091430248.db2.gz MATRBRQVWDUVJA-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP Cc1cccc2c1C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139052729 1091430254 /nfs/dbraw/zinc/43/02/54/1091430254.db2.gz MATRBRQVWDUVJA-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001139055294 1091432764 /nfs/dbraw/zinc/43/27/64/1091432764.db2.gz MTCIGGSWUXYKIK-VQTJNVASSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001139055294 1091432771 /nfs/dbraw/zinc/43/27/71/1091432771.db2.gz MTCIGGSWUXYKIK-VQTJNVASSA-N 2 2 314.473 3.141 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC001206065517 1091476220 /nfs/dbraw/zinc/47/62/20/1091476220.db2.gz ZXFBLWVNYRQZQG-VQIMIIECSA-N 2 2 310.441 3.353 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC001206065517 1091476225 /nfs/dbraw/zinc/47/62/25/1091476225.db2.gz ZXFBLWVNYRQZQG-VQIMIIECSA-N 2 2 310.441 3.353 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c(Cl)nc2c1 ZINC001206167515 1091518513 /nfs/dbraw/zinc/51/85/13/1091518513.db2.gz ZQUBJTGYGOPCMM-HUUCEWRRSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c(Cl)nc2c1 ZINC001206167515 1091518518 /nfs/dbraw/zinc/51/85/18/1091518518.db2.gz ZQUBJTGYGOPCMM-HUUCEWRRSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccnn1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360656 1091533540 /nfs/dbraw/zinc/53/35/40/1091533540.db2.gz BISDNTPXXGMEIN-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP CC(C)[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139364463 1091536814 /nfs/dbraw/zinc/53/68/14/1091536814.db2.gz SEGZEFXCYXPDMS-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139364463 1091536822 /nfs/dbraw/zinc/53/68/22/1091536822.db2.gz SEGZEFXCYXPDMS-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139393079 1091543567 /nfs/dbraw/zinc/54/35/67/1091543567.db2.gz HTEKWBGBZSVLML-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139393079 1091543573 /nfs/dbraw/zinc/54/35/73/1091543573.db2.gz HTEKWBGBZSVLML-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP CC(C)[N@H+](Cc1ccc(-c2cnccn2)cc1)C1CC[NH+](C)CC1 ZINC001139394626 1091544715 /nfs/dbraw/zinc/54/47/15/1091544715.db2.gz ITWAJQADPILEJL-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(-c2cnccn2)cc1)C1CC[NH+](C)CC1 ZINC001139394626 1091544719 /nfs/dbraw/zinc/54/47/19/1091544719.db2.gz ITWAJQADPILEJL-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP c1cn(C2CC[NH+](Cc3ccc(-c4cnccn4)cc3)CC2)c[nH+]1 ZINC001139393513 1091544868 /nfs/dbraw/zinc/54/48/68/1091544868.db2.gz UGEBFAZYZHDGMO-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001206344335 1091587323 /nfs/dbraw/zinc/58/73/23/1091587323.db2.gz RBNTXANCPYMSQY-CQSZACIVSA-N 2 2 320.330 3.238 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001206344335 1091587332 /nfs/dbraw/zinc/58/73/32/1091587332.db2.gz RBNTXANCPYMSQY-CQSZACIVSA-N 2 2 320.330 3.238 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001206352051 1091591406 /nfs/dbraw/zinc/59/14/06/1091591406.db2.gz MVDQWHUNMIHSOU-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001206352051 1091591417 /nfs/dbraw/zinc/59/14/17/1091591417.db2.gz MVDQWHUNMIHSOU-QGZVFWFLSA-N 2 2 319.449 3.463 20 0 DGADLP CCOc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)cc1CC ZINC001139625228 1091626327 /nfs/dbraw/zinc/62/63/27/1091626327.db2.gz CPZCMHJDNCLAKK-UHFFFAOYSA-N 2 2 301.434 3.366 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1CC ZINC001139625228 1091626333 /nfs/dbraw/zinc/62/63/33/1091626333.db2.gz CPZCMHJDNCLAKK-UHFFFAOYSA-N 2 2 301.434 3.366 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)nc2cc(C)ccn21 ZINC001139679698 1091641539 /nfs/dbraw/zinc/64/15/39/1091641539.db2.gz UOKWXUSFWCFVJW-UHFFFAOYSA-N 2 2 302.466 3.115 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)nc2cc(C)ccn21 ZINC001139679698 1091641543 /nfs/dbraw/zinc/64/15/43/1091641543.db2.gz UOKWXUSFWCFVJW-UHFFFAOYSA-N 2 2 302.466 3.115 20 0 DGADLP CCC[NH+](CCC)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759396 1091665719 /nfs/dbraw/zinc/66/57/19/1091665719.db2.gz DOXHUIUZHAUQPH-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cscc2Br)C1 ZINC001206555344 1091666872 /nfs/dbraw/zinc/66/68/72/1091666872.db2.gz JGZZZBZHCLBPDK-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cscc2Br)C1 ZINC001206555344 1091666875 /nfs/dbraw/zinc/66/68/75/1091666875.db2.gz JGZZZBZHCLBPDK-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001206563306 1091669973 /nfs/dbraw/zinc/66/99/73/1091669973.db2.gz BRHKVVKNLRIQNA-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001206563306 1091669978 /nfs/dbraw/zinc/66/99/78/1091669978.db2.gz BRHKVVKNLRIQNA-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3C)C[C@@H]2C1 ZINC001139888859 1091703795 /nfs/dbraw/zinc/70/37/95/1091703795.db2.gz NHBLJCODFXDECJ-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3C)C[C@@H]2C1 ZINC001139888859 1091703805 /nfs/dbraw/zinc/70/38/05/1091703805.db2.gz NHBLJCODFXDECJ-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3C)C[C@@H]2C1 ZINC001139888859 1091703811 /nfs/dbraw/zinc/70/38/11/1091703811.db2.gz NHBLJCODFXDECJ-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3C)C[C@@H]2C1 ZINC001139888859 1091703819 /nfs/dbraw/zinc/70/38/19/1091703819.db2.gz NHBLJCODFXDECJ-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001206736456 1091718072 /nfs/dbraw/zinc/71/80/72/1091718072.db2.gz HHCTYKPZUBXROY-UHFFFAOYSA-N 2 2 307.401 3.444 20 0 DGADLP C[C@@H]([NH3+])c1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206739793 1091718488 /nfs/dbraw/zinc/71/84/88/1091718488.db2.gz GCJOFTUGQJELAQ-CQSZACIVSA-N 2 2 314.404 3.345 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001206745149 1091721382 /nfs/dbraw/zinc/72/13/82/1091721382.db2.gz RGIJKZIVMQZMDB-UHFFFAOYSA-N 2 2 302.368 3.412 20 0 DGADLP Cn1ncc2cc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)ccc21 ZINC001139957643 1091724892 /nfs/dbraw/zinc/72/48/92/1091724892.db2.gz NGOOKYOHDRZHDY-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP c1ccc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ncc2c1 ZINC001140001730 1091736394 /nfs/dbraw/zinc/73/63/94/1091736394.db2.gz YTRUMISLXBPQJK-LJQANCHMSA-N 2 2 305.381 3.283 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001140023556 1091742260 /nfs/dbraw/zinc/74/22/60/1091742260.db2.gz QMBDNKBQRBTAFX-HKUYNNGSSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001140023556 1091742269 /nfs/dbraw/zinc/74/22/69/1091742269.db2.gz QMBDNKBQRBTAFX-HKUYNNGSSA-N 2 2 311.429 3.182 20 0 DGADLP COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-n1cc[nH+]c1C ZINC001140027709 1091743244 /nfs/dbraw/zinc/74/32/44/1091743244.db2.gz WHPKZSRNVGAXEQ-JWTNVVGKSA-N 2 2 311.429 3.323 20 0 DGADLP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-n1cc[nH+]c1C ZINC001140027709 1091743252 /nfs/dbraw/zinc/74/32/52/1091743252.db2.gz WHPKZSRNVGAXEQ-JWTNVVGKSA-N 2 2 311.429 3.323 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001140025951 1091743607 /nfs/dbraw/zinc/74/36/07/1091743607.db2.gz GZWKHCIUAMONMK-UHFFFAOYSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001140025951 1091743617 /nfs/dbraw/zinc/74/36/17/1091743617.db2.gz GZWKHCIUAMONMK-UHFFFAOYSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)n1C ZINC001206795184 1091744006 /nfs/dbraw/zinc/74/40/06/1091744006.db2.gz SIYKFZISPBFGTQ-KRWDZBQOSA-N 2 2 319.836 3.425 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)n1C ZINC001206795184 1091744011 /nfs/dbraw/zinc/74/40/11/1091744011.db2.gz SIYKFZISPBFGTQ-KRWDZBQOSA-N 2 2 319.836 3.425 20 0 DGADLP COc1c(Cl)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001140056300 1091751918 /nfs/dbraw/zinc/75/19/18/1091751918.db2.gz QCQGNLDWOSDJLQ-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccn1 ZINC001140109803 1091771158 /nfs/dbraw/zinc/77/11/58/1091771158.db2.gz ZVNUHRMAIRCOQU-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccn1 ZINC001140109803 1091771165 /nfs/dbraw/zinc/77/11/65/1091771165.db2.gz ZVNUHRMAIRCOQU-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCOc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCC4)CC3)c2c1 ZINC001140274440 1091812291 /nfs/dbraw/zinc/81/22/91/1091812291.db2.gz CUMIWIYRALDOBO-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140355487 1091838582 /nfs/dbraw/zinc/83/85/82/1091838582.db2.gz FBKBRPVTLOBLDF-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(C(F)F)c1)CC2 ZINC001207127850 1091853319 /nfs/dbraw/zinc/85/33/19/1091853319.db2.gz JTRVCCCARUAFHH-UHFFFAOYSA-N 2 2 323.387 3.254 20 0 DGADLP Cc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207153453 1091865316 /nfs/dbraw/zinc/86/53/16/1091865316.db2.gz AZLROAKHTKPLKQ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207153453 1091865320 /nfs/dbraw/zinc/86/53/20/1091865320.db2.gz AZLROAKHTKPLKQ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207153453 1091865325 /nfs/dbraw/zinc/86/53/25/1091865325.db2.gz AZLROAKHTKPLKQ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207153453 1091865327 /nfs/dbraw/zinc/86/53/27/1091865327.db2.gz AZLROAKHTKPLKQ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP CC[N@@H+](CCc1ccc(Br)cc1)CCn1cc[nH+]c1 ZINC001207385360 1091949807 /nfs/dbraw/zinc/94/98/07/1091949807.db2.gz WKXONWHUXYJZLI-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP CC[N@H+](CCc1ccc(Br)cc1)CCn1cc[nH+]c1 ZINC001207385360 1091949812 /nfs/dbraw/zinc/94/98/12/1091949812.db2.gz WKXONWHUXYJZLI-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP C[NH+]1CCC(CC[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001207488030 1091986904 /nfs/dbraw/zinc/98/69/04/1091986904.db2.gz CMRWNLNPKFXXTB-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP C[NH+]1CCC(CC[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001207488030 1091986909 /nfs/dbraw/zinc/98/69/09/1091986909.db2.gz CMRWNLNPKFXXTB-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC001207519462 1092004291 /nfs/dbraw/zinc/00/42/91/1092004291.db2.gz VWURPQZIJKGESD-KRWDZBQOSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001207519462 1092004301 /nfs/dbraw/zinc/00/43/01/1092004301.db2.gz VWURPQZIJKGESD-KRWDZBQOSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1nn(C)c(C)c1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001203068025 1092009338 /nfs/dbraw/zinc/00/93/38/1092009338.db2.gz XFQNVWCHOXKNTQ-UHFFFAOYSA-N 2 2 318.509 3.266 20 0 DGADLP Cc1nn(C)c(C)c1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001203068025 1092009347 /nfs/dbraw/zinc/00/93/47/1092009347.db2.gz XFQNVWCHOXKNTQ-UHFFFAOYSA-N 2 2 318.509 3.266 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1ccccc1Br)C2 ZINC001207528769 1092009965 /nfs/dbraw/zinc/00/99/65/1092009965.db2.gz LLAYMDGBDFNECJ-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1ccccc1Br)C2 ZINC001207528769 1092009977 /nfs/dbraw/zinc/00/99/77/1092009977.db2.gz LLAYMDGBDFNECJ-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807083 1092014388 /nfs/dbraw/zinc/01/43/88/1092014388.db2.gz KYHJQMISYWBQDT-INIZCTEOSA-N 2 2 320.440 3.269 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807083 1092014400 /nfs/dbraw/zinc/01/44/00/1092014400.db2.gz KYHJQMISYWBQDT-INIZCTEOSA-N 2 2 320.440 3.269 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140887380 1092049761 /nfs/dbraw/zinc/04/97/61/1092049761.db2.gz AJZKDEHWZWKQBN-UHFFFAOYSA-N 2 2 322.346 3.498 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140887380 1092049770 /nfs/dbraw/zinc/04/97/70/1092049770.db2.gz AJZKDEHWZWKQBN-UHFFFAOYSA-N 2 2 322.346 3.498 20 0 DGADLP CC(C)[N@H+](Cc1cccc(-c2ncccn2)c1)C1CC[NH+](C)CC1 ZINC001140982245 1092093973 /nfs/dbraw/zinc/09/39/73/1092093973.db2.gz GMVNJLCTWBJVLD-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(-c2ncccn2)c1)C1CC[NH+](C)CC1 ZINC001140982245 1092093978 /nfs/dbraw/zinc/09/39/78/1092093978.db2.gz GMVNJLCTWBJVLD-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)c1 ZINC001208089063 1092193652 /nfs/dbraw/zinc/19/36/52/1092193652.db2.gz ZOSBGEBFRSCHKW-PMACEKPBSA-N 2 2 313.489 3.416 20 0 DGADLP CS[C@@H](C)CC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001208141476 1092217308 /nfs/dbraw/zinc/21/73/08/1092217308.db2.gz JVMHSRHDFWZYRL-AWEZNQCLSA-N 2 2 324.538 3.025 20 0 DGADLP CS[C@@H](C)CC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001208141476 1092217321 /nfs/dbraw/zinc/21/73/21/1092217321.db2.gz JVMHSRHDFWZYRL-AWEZNQCLSA-N 2 2 324.538 3.025 20 0 DGADLP Fc1cccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001208195796 1092254417 /nfs/dbraw/zinc/25/44/17/1092254417.db2.gz OBBWYQKDDMGFCK-UHFFFAOYSA-N 2 2 300.377 3.307 20 0 DGADLP Fc1ccc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2c1 ZINC001141650614 1092308675 /nfs/dbraw/zinc/30/86/75/1092308675.db2.gz AADRBAGNDSXPGL-UHFFFAOYSA-N 2 2 310.376 3.408 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617480 1092430624 /nfs/dbraw/zinc/43/06/24/1092430624.db2.gz PIYHIQCBFGWYAU-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617480 1092430630 /nfs/dbraw/zinc/43/06/30/1092430630.db2.gz PIYHIQCBFGWYAU-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617480 1092430639 /nfs/dbraw/zinc/43/06/39/1092430639.db2.gz PIYHIQCBFGWYAU-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC001208617480 1092430643 /nfs/dbraw/zinc/43/06/43/1092430643.db2.gz PIYHIQCBFGWYAU-CYBMUJFWSA-N 2 2 312.379 3.405 20 0 DGADLP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727831 1092476569 /nfs/dbraw/zinc/47/65/69/1092476569.db2.gz JCDXZXWUIQBUQP-JGPFYOFESA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727831 1092476585 /nfs/dbraw/zinc/47/65/85/1092476585.db2.gz JCDXZXWUIQBUQP-JGPFYOFESA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208727831 1092476591 /nfs/dbraw/zinc/47/65/91/1092476591.db2.gz JCDXZXWUIQBUQP-JGPFYOFESA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208727831 1092476598 /nfs/dbraw/zinc/47/65/98/1092476598.db2.gz JCDXZXWUIQBUQP-JGPFYOFESA-N 2 2 305.491 3.396 20 0 DGADLP Cn1cc2c(cccc2C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)n1 ZINC001142444820 1092482737 /nfs/dbraw/zinc/48/27/37/1092482737.db2.gz BUKMTTAUJFEMFN-UHFFFAOYSA-N 2 2 322.412 3.012 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814992 1092522310 /nfs/dbraw/zinc/52/23/10/1092522310.db2.gz MZLQOWYDCHWGQA-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814992 1092522323 /nfs/dbraw/zinc/52/23/23/1092522323.db2.gz MZLQOWYDCHWGQA-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814992 1092522330 /nfs/dbraw/zinc/52/23/30/1092522330.db2.gz MZLQOWYDCHWGQA-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814992 1092522343 /nfs/dbraw/zinc/52/23/43/1092522343.db2.gz MZLQOWYDCHWGQA-PMACEKPBSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119080 1092541144 /nfs/dbraw/zinc/54/11/44/1092541144.db2.gz PYFZUGANTHPLQR-FQLMCAECSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119080 1092541155 /nfs/dbraw/zinc/54/11/55/1092541155.db2.gz PYFZUGANTHPLQR-FQLMCAECSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@H+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124491 1092545411 /nfs/dbraw/zinc/54/54/11/1092545411.db2.gz DCTHCWGGBNUXHO-ITGUQSILSA-N 2 2 313.367 3.157 20 0 DGADLP C[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124491 1092545419 /nfs/dbraw/zinc/54/54/19/1092545419.db2.gz DCTHCWGGBNUXHO-ITGUQSILSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124491 1092545429 /nfs/dbraw/zinc/54/54/29/1092545429.db2.gz DCTHCWGGBNUXHO-ITGUQSILSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124491 1092545435 /nfs/dbraw/zinc/54/54/35/1092545435.db2.gz DCTHCWGGBNUXHO-ITGUQSILSA-N 2 2 313.367 3.157 20 0 DGADLP COCCOc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169154044 1092566542 /nfs/dbraw/zinc/56/65/42/1092566542.db2.gz VSUQZVJAILAWNY-MAUKXSAKSA-N 2 2 321.465 3.062 20 0 DGADLP F[C@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933334 1092595973 /nfs/dbraw/zinc/59/59/73/1092595973.db2.gz DOTFEQSSJOOLPW-XWSJACJDSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933334 1092595982 /nfs/dbraw/zinc/59/59/82/1092595982.db2.gz DOTFEQSSJOOLPW-XWSJACJDSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933334 1092595985 /nfs/dbraw/zinc/59/59/85/1092595985.db2.gz DOTFEQSSJOOLPW-XWSJACJDSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933334 1092595988 /nfs/dbraw/zinc/59/59/88/1092595988.db2.gz DOTFEQSSJOOLPW-XWSJACJDSA-N 2 2 302.437 3.188 20 0 DGADLP CC1(C)COCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937470 1092600061 /nfs/dbraw/zinc/60/00/61/1092600061.db2.gz UAPUMUNHUQOAOZ-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)COCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208937470 1092600068 /nfs/dbraw/zinc/60/00/68/1092600068.db2.gz UAPUMUNHUQOAOZ-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)COCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937470 1092600076 /nfs/dbraw/zinc/60/00/76/1092600076.db2.gz UAPUMUNHUQOAOZ-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)COCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937470 1092600082 /nfs/dbraw/zinc/60/00/82/1092600082.db2.gz UAPUMUNHUQOAOZ-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941366 1092603246 /nfs/dbraw/zinc/60/32/46/1092603246.db2.gz YKJBIKCGOCWGQF-VQTJNVASSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941366 1092603249 /nfs/dbraw/zinc/60/32/49/1092603249.db2.gz YKJBIKCGOCWGQF-VQTJNVASSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941366 1092603251 /nfs/dbraw/zinc/60/32/51/1092603251.db2.gz YKJBIKCGOCWGQF-VQTJNVASSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941366 1092603256 /nfs/dbraw/zinc/60/32/56/1092603256.db2.gz YKJBIKCGOCWGQF-VQTJNVASSA-N 2 2 314.473 3.200 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc3[nH+]ccn3c2)CC1 ZINC001143028294 1092606986 /nfs/dbraw/zinc/60/69/86/1092606986.db2.gz YVHNKMOEEDAZRG-KRWDZBQOSA-N 2 2 320.440 3.213 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608590 1092626750 /nfs/dbraw/zinc/62/67/50/1092626750.db2.gz QSALXKYGSXCCDM-NRFANRHFSA-N 2 2 323.484 3.454 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608590 1092626755 /nfs/dbraw/zinc/62/67/55/1092626755.db2.gz QSALXKYGSXCCDM-NRFANRHFSA-N 2 2 323.484 3.454 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608590 1092626758 /nfs/dbraw/zinc/62/67/58/1092626758.db2.gz QSALXKYGSXCCDM-NRFANRHFSA-N 2 2 323.484 3.454 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608590 1092626761 /nfs/dbraw/zinc/62/67/61/1092626761.db2.gz QSALXKYGSXCCDM-NRFANRHFSA-N 2 2 323.484 3.454 20 0 DGADLP Fc1cnc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(F)c1 ZINC001276608743 1092626853 /nfs/dbraw/zinc/62/68/53/1092626853.db2.gz UMFVZJTVNFHGLF-UHFFFAOYSA-N 2 2 321.415 3.200 20 0 DGADLP CCC[N@H+](CC(=O)OC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001169353715 1092664417 /nfs/dbraw/zinc/66/44/17/1092664417.db2.gz PQVMCYAHGKZJRG-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP CCC[N@@H+](CC(=O)OC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001169353715 1092664425 /nfs/dbraw/zinc/66/44/25/1092664425.db2.gz PQVMCYAHGKZJRG-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP CC[N@H+](CCc1cc(F)c(F)cc1F)C1CC[NH+](C)CC1 ZINC001209249634 1092713113 /nfs/dbraw/zinc/71/31/13/1092713113.db2.gz AUXTWYFWRDXKEN-UHFFFAOYSA-N 2 2 300.368 3.063 20 0 DGADLP CC[N@@H+](CCc1cc(F)c(F)cc1F)C1CC[NH+](C)CC1 ZINC001209249634 1092713122 /nfs/dbraw/zinc/71/31/22/1092713122.db2.gz AUXTWYFWRDXKEN-UHFFFAOYSA-N 2 2 300.368 3.063 20 0 DGADLP CSc1cc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC001276650751 1092827927 /nfs/dbraw/zinc/82/79/27/1092827927.db2.gz BIXZRTIZVJBDRI-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC001276650751 1092827934 /nfs/dbraw/zinc/82/79/34/1092827934.db2.gz BIXZRTIZVJBDRI-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC001276650751 1092827938 /nfs/dbraw/zinc/82/79/38/1092827938.db2.gz BIXZRTIZVJBDRI-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC001276650751 1092827945 /nfs/dbraw/zinc/82/79/45/1092827945.db2.gz BIXZRTIZVJBDRI-KRWDZBQOSA-N 2 2 305.491 3.030 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)[nH]1 ZINC001209571277 1092831347 /nfs/dbraw/zinc/83/13/47/1092831347.db2.gz BXGSAXSQTLBSGJ-RTBURBONSA-N 2 2 309.457 3.195 20 0 DGADLP Cc1[nH]c2ncccc2c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209595364 1092840510 /nfs/dbraw/zinc/84/05/10/1092840510.db2.gz MUAMXPRKOOXJLV-OAHLLOKOSA-N 2 2 322.412 3.228 20 0 DGADLP Cc1[nH]c2ncccc2c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209595364 1092840521 /nfs/dbraw/zinc/84/05/21/1092840521.db2.gz MUAMXPRKOOXJLV-OAHLLOKOSA-N 2 2 322.412 3.228 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC[NH2+]1 ZINC001210518664 1093195722 /nfs/dbraw/zinc/19/57/22/1093195722.db2.gz HTTGDVBLJSQKOG-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CC[NH2+]1 ZINC001210518664 1093195725 /nfs/dbraw/zinc/19/57/25/1093195725.db2.gz HTTGDVBLJSQKOG-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP [NH3+][C@H]1NC(C[N@H+](Cc2ccccc2)C2CCCCC2)=CS1 ZINC001210581249 1093218354 /nfs/dbraw/zinc/21/83/54/1093218354.db2.gz QGYZMSYBZBMADH-KRWDZBQOSA-N 2 2 303.475 3.241 20 0 DGADLP [NH3+][C@H]1NC(C[N@@H+](Cc2ccccc2)C2CCCCC2)=CS1 ZINC001210581249 1093218361 /nfs/dbraw/zinc/21/83/61/1093218361.db2.gz QGYZMSYBZBMADH-KRWDZBQOSA-N 2 2 303.475 3.241 20 0 DGADLP Cc1cc(C)c(Nc2cc(F)ccc2N2CC[NH+](C)CC2)c[nH+]1 ZINC001213516005 1093601593 /nfs/dbraw/zinc/60/15/93/1093601593.db2.gz XXJPYAYMUUXJGQ-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1[nH+]cccc1C1CC1 ZINC001213891142 1093675237 /nfs/dbraw/zinc/67/52/37/1093675237.db2.gz ALFVODPJNAPSGC-UHFFFAOYSA-N 2 2 324.428 3.121 20 0 DGADLP CCc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000303149167 1093781084 /nfs/dbraw/zinc/78/10/84/1093781084.db2.gz VYAQFOXQDCWNQD-SFHVURJKSA-N 2 2 310.445 3.424 20 0 DGADLP CCc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000303149167 1093781090 /nfs/dbraw/zinc/78/10/90/1093781090.db2.gz VYAQFOXQDCWNQD-SFHVURJKSA-N 2 2 310.445 3.424 20 0 DGADLP [NH3+]Cc1cccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001215494668 1093990487 /nfs/dbraw/zinc/99/04/87/1093990487.db2.gz XFXXYKRMMYYBGB-UHFFFAOYSA-N 2 2 317.352 3.048 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404301658 1094254472 /nfs/dbraw/zinc/25/44/72/1094254472.db2.gz GKEBCBILODYOHM-SMDDNHRTSA-N 2 2 311.813 3.198 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404301658 1094254478 /nfs/dbraw/zinc/25/44/78/1094254478.db2.gz GKEBCBILODYOHM-SMDDNHRTSA-N 2 2 311.813 3.198 20 0 DGADLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000186315306 1094285864 /nfs/dbraw/zinc/28/58/64/1094285864.db2.gz NLCOQVKLIIVZHU-KRWDZBQOSA-N 2 2 308.429 3.055 20 0 DGADLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000186315306 1094285871 /nfs/dbraw/zinc/28/58/71/1094285871.db2.gz NLCOQVKLIIVZHU-KRWDZBQOSA-N 2 2 308.429 3.055 20 0 DGADLP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043616 1094373316 /nfs/dbraw/zinc/37/33/16/1094373316.db2.gz KLUGUPWFUDCIEP-DZGCQCFKSA-N 2 2 305.466 3.293 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC001120469066 1094435133 /nfs/dbraw/zinc/43/51/33/1094435133.db2.gz VMDQIANHUFQESS-RBUKOAKNSA-N 2 2 321.424 3.027 20 0 DGADLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001120520739 1094447269 /nfs/dbraw/zinc/44/72/69/1094447269.db2.gz ZUCJQKSPTJQVLG-MOPGFXCFSA-N 2 2 300.446 3.049 20 0 DGADLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001218499100 1094823805 /nfs/dbraw/zinc/82/38/05/1094823805.db2.gz MLAGUNRPJUHTFL-JKSUJKDBSA-N 2 2 320.396 3.156 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC(C)(C)C[NH3+])c2)[nH+]c1C ZINC001121914428 1094825686 /nfs/dbraw/zinc/82/56/86/1094825686.db2.gz SLLKAQOBBFERTJ-UHFFFAOYSA-N 2 2 300.406 3.007 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218788788 1094866942 /nfs/dbraw/zinc/86/69/42/1094866942.db2.gz YROMQUHVWGMJJQ-DOTOQJQBSA-N 2 2 320.396 3.014 20 0 DGADLP [NH3+]CCCCCCCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218847537 1094883850 /nfs/dbraw/zinc/88/38/50/1094883850.db2.gz ILVQQGWKNZBYPB-UHFFFAOYSA-N 2 2 314.433 3.169 20 0 DGADLP CC[NH+](CC)C1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC001219009668 1094928468 /nfs/dbraw/zinc/92/84/68/1094928468.db2.gz JBMGIKASUYSVND-UHFFFAOYSA-N 2 2 318.465 3.345 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cccc(Br)c1F)[NH+](C)C ZINC000697827104 1095051363 /nfs/dbraw/zinc/05/13/63/1095051363.db2.gz TUEREAZDYRSKPG-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccsc2Br)CC[NH2+]1 ZINC001246250096 1095140076 /nfs/dbraw/zinc/14/00/76/1095140076.db2.gz OSFQLWKHCUJAJO-VXGBXAGGSA-N 2 2 317.296 3.377 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056014 1095214210 /nfs/dbraw/zinc/21/42/10/1095214210.db2.gz JOSHNGFMCYXRPU-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056014 1095214218 /nfs/dbraw/zinc/21/42/18/1095214218.db2.gz JOSHNGFMCYXRPU-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056014 1095214225 /nfs/dbraw/zinc/21/42/25/1095214225.db2.gz JOSHNGFMCYXRPU-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@H]21 ZINC001171056014 1095214239 /nfs/dbraw/zinc/21/42/39/1095214239.db2.gz JOSHNGFMCYXRPU-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171064619 1095242361 /nfs/dbraw/zinc/24/23/61/1095242361.db2.gz SDCXUWFJRAUMAL-ZWNOBZJWSA-N 2 2 301.261 3.390 20 0 DGADLP CC[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](C)CC1 ZINC001136939832 1095242729 /nfs/dbraw/zinc/24/27/29/1095242729.db2.gz XXGJGYNFHQXTNM-UHFFFAOYSA-N 2 2 312.404 3.247 20 0 DGADLP CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](C)CC1 ZINC001136939832 1095242740 /nfs/dbraw/zinc/24/27/40/1095242740.db2.gz XXGJGYNFHQXTNM-UHFFFAOYSA-N 2 2 312.404 3.247 20 0 DGADLP CCCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752607 1095369114 /nfs/dbraw/zinc/36/91/14/1095369114.db2.gz LHJHTZOHMIIQHK-MRXNPFEDSA-N 2 2 320.481 3.043 20 0 DGADLP Cc1ccc(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)s1 ZINC001116064512 1095449462 /nfs/dbraw/zinc/44/94/62/1095449462.db2.gz BKOAQWNAMGZEOC-UHFFFAOYSA-N 2 2 312.398 3.127 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OCC)c1 ZINC001222148373 1095456989 /nfs/dbraw/zinc/45/69/89/1095456989.db2.gz NBPZBRREVZMOTD-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OCC)c1 ZINC001222148373 1095456997 /nfs/dbraw/zinc/45/69/97/1095456997.db2.gz NBPZBRREVZMOTD-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1F ZINC001222154292 1095461310 /nfs/dbraw/zinc/46/13/10/1095461310.db2.gz JOHLRHFODPMOFX-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1F ZINC001222154292 1095461313 /nfs/dbraw/zinc/46/13/13/1095461313.db2.gz JOHLRHFODPMOFX-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CCc1csc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222167684 1095473767 /nfs/dbraw/zinc/47/37/67/1095473767.db2.gz PCLJELWSXKNNKO-KRWDZBQOSA-N 2 2 307.507 3.451 20 0 DGADLP CCc1csc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222167684 1095473773 /nfs/dbraw/zinc/47/37/73/1095473773.db2.gz PCLJELWSXKNNKO-KRWDZBQOSA-N 2 2 307.507 3.451 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167677 1095473880 /nfs/dbraw/zinc/47/38/80/1095473880.db2.gz PBOTUCJLZCZWMI-LJQANCHMSA-N 3 2 312.461 3.309 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167677 1095473884 /nfs/dbraw/zinc/47/38/84/1095473884.db2.gz PBOTUCJLZCZWMI-LJQANCHMSA-N 3 2 312.461 3.309 20 0 DGADLP Cc1cc(N2CCC(OCC[NH+](C)C)CC2)[nH+]c2ccccc12 ZINC001116189388 1095478580 /nfs/dbraw/zinc/47/85/80/1095478580.db2.gz MAZUUGGNMQESLL-UHFFFAOYSA-N 2 2 313.445 3.090 20 0 DGADLP Nc1nc(Cl)ccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173738 1095478933 /nfs/dbraw/zinc/47/89/33/1095478933.db2.gz WVNWXQAATVNJSQ-KRWDZBQOSA-N 2 2 322.884 3.063 20 0 DGADLP Nc1nc(Cl)ccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173738 1095478938 /nfs/dbraw/zinc/47/89/38/1095478938.db2.gz WVNWXQAATVNJSQ-KRWDZBQOSA-N 2 2 322.884 3.063 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)n2)cc1 ZINC001222253525 1095513560 /nfs/dbraw/zinc/51/35/60/1095513560.db2.gz PSVDLVPNNTVQSE-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)n2)cc1 ZINC001222253525 1095513570 /nfs/dbraw/zinc/51/35/70/1095513570.db2.gz PSVDLVPNNTVQSE-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccn1 ZINC001222272046 1095523149 /nfs/dbraw/zinc/52/31/49/1095523149.db2.gz LWANATJIOBZWCH-LJQANCHMSA-N 2 2 301.478 3.345 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccn1 ZINC001222272046 1095523156 /nfs/dbraw/zinc/52/31/56/1095523156.db2.gz LWANATJIOBZWCH-LJQANCHMSA-N 2 2 301.478 3.345 20 0 DGADLP CCc1cc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144147542 1095536957 /nfs/dbraw/zinc/53/69/57/1095536957.db2.gz DMSKGDJTUAETJC-UHFFFAOYSA-N 2 2 304.478 3.433 20 0 DGADLP CCc1cc(C[N@H+](CC)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144147542 1095536962 /nfs/dbraw/zinc/53/69/62/1095536962.db2.gz DMSKGDJTUAETJC-UHFFFAOYSA-N 2 2 304.478 3.433 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC001116449514 1095558507 /nfs/dbraw/zinc/55/85/07/1095558507.db2.gz LESBRXODFAQLNC-MAUKXSAKSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC001116449514 1095558515 /nfs/dbraw/zinc/55/85/15/1095558515.db2.gz LESBRXODFAQLNC-MAUKXSAKSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC001116449514 1095558523 /nfs/dbraw/zinc/55/85/23/1095558523.db2.gz LESBRXODFAQLNC-MAUKXSAKSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC001116449514 1095558529 /nfs/dbraw/zinc/55/85/29/1095558529.db2.gz LESBRXODFAQLNC-MAUKXSAKSA-N 2 2 318.436 3.283 20 0 DGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150568 1095558818 /nfs/dbraw/zinc/55/88/18/1095558818.db2.gz CBWIKOURKUSERU-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150568 1095558828 /nfs/dbraw/zinc/55/88/28/1095558828.db2.gz CBWIKOURKUSERU-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152359 1095570685 /nfs/dbraw/zinc/57/06/85/1095570685.db2.gz PKIOWRGLVCZKPF-MRXNPFEDSA-N 2 2 322.497 3.187 20 0 DGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152359 1095570695 /nfs/dbraw/zinc/57/06/95/1095570695.db2.gz PKIOWRGLVCZKPF-MRXNPFEDSA-N 2 2 322.497 3.187 20 0 DGADLP Cc1c(C)c(C)c(C[N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c(C)c1C ZINC001222365442 1095575287 /nfs/dbraw/zinc/57/52/87/1095575287.db2.gz BOOGCGVPFAADMO-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1c(C)c(C)c(C[N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c(C)c1C ZINC001222365442 1095575299 /nfs/dbraw/zinc/57/52/99/1095575299.db2.gz BOOGCGVPFAADMO-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420178 1095605504 /nfs/dbraw/zinc/60/55/04/1095605504.db2.gz BJVZUXFNOCEQIC-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420178 1095605509 /nfs/dbraw/zinc/60/55/09/1095605509.db2.gz BJVZUXFNOCEQIC-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP c1cncc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222426467 1095607911 /nfs/dbraw/zinc/60/79/11/1095607911.db2.gz DCQDMTNEDZOACH-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222426467 1095607915 /nfs/dbraw/zinc/60/79/15/1095607915.db2.gz DCQDMTNEDZOACH-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001116604085 1095613046 /nfs/dbraw/zinc/61/30/46/1095613046.db2.gz RSMXEQJQYRWVCB-LSDHHAIUSA-N 2 2 303.475 3.367 20 0 DGADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001116604085 1095613051 /nfs/dbraw/zinc/61/30/51/1095613051.db2.gz RSMXEQJQYRWVCB-LSDHHAIUSA-N 2 2 303.475 3.367 20 0 DGADLP COC(=O)c1c[nH+]ccc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171170462 1095625184 /nfs/dbraw/zinc/62/51/84/1095625184.db2.gz WUGDNWKNXMVDME-ZDUSSCGKSA-N 2 2 323.396 3.010 20 0 DGADLP COC(=O)c1c[nH+]ccc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171170461 1095625502 /nfs/dbraw/zinc/62/55/02/1095625502.db2.gz WUGDNWKNXMVDME-CYBMUJFWSA-N 2 2 323.396 3.010 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144385776 1095637759 /nfs/dbraw/zinc/63/77/59/1095637759.db2.gz IMPGTNPWFVBPPV-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144385776 1095637763 /nfs/dbraw/zinc/63/77/63/1095637763.db2.gz IMPGTNPWFVBPPV-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC001116845536 1095677784 /nfs/dbraw/zinc/67/77/84/1095677784.db2.gz UMJWKBZOIAAMNB-SJLPKXTDSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC001116845536 1095677790 /nfs/dbraw/zinc/67/77/90/1095677790.db2.gz UMJWKBZOIAAMNB-SJLPKXTDSA-N 2 2 309.457 3.405 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)s1 ZINC001137647505 1095699490 /nfs/dbraw/zinc/69/94/90/1095699490.db2.gz SPLYTOQFETWLIU-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)s1 ZINC001137647505 1095699492 /nfs/dbraw/zinc/69/94/92/1095699492.db2.gz SPLYTOQFETWLIU-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH+]cn2ccccc12 ZINC001144623182 1095739761 /nfs/dbraw/zinc/73/97/61/1095739761.db2.gz RZXHCOPHIMLNJU-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH+]cn2ccccc12 ZINC001144623182 1095739773 /nfs/dbraw/zinc/73/97/73/1095739773.db2.gz RZXHCOPHIMLNJU-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP Cc1cc(CO[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cc(C)[nH+]1 ZINC001223423328 1095964957 /nfs/dbraw/zinc/96/49/57/1095964957.db2.gz BSBZBSFDVGGCGP-FUHWJXTLSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001340525804 1095969292 /nfs/dbraw/zinc/96/92/92/1095969292.db2.gz GBWLGMJNUZLBJT-MDNKFWRPSA-N 2 2 315.505 3.112 20 0 DGADLP CCCC[C@H]1C[C@H]([NH+]2CC3(C2)CC(F)(F)CS3)CC[NH2+]1 ZINC001246857475 1096062345 /nfs/dbraw/zinc/06/23/45/1096062345.db2.gz ZSGUNUPMXCSTRC-QWHCGFSZSA-N 2 2 304.450 3.124 20 0 DGADLP Fc1cccc(/C=C\C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001119450926 1096204701 /nfs/dbraw/zinc/20/47/01/1096204701.db2.gz PCIXTEWECHJQQK-RQOWECAXSA-N 2 2 318.436 3.072 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001171339041 1096452023 /nfs/dbraw/zinc/45/20/23/1096452023.db2.gz YQLIYSHKUSRRLB-MRXNPFEDSA-N 2 2 308.416 3.288 20 0 DGADLP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171411015 1096697888 /nfs/dbraw/zinc/69/78/88/1096697888.db2.gz ZOKRAMUDCGQVJO-IAGOWNOFSA-N 2 2 322.497 3.145 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171418867 1096716457 /nfs/dbraw/zinc/71/64/57/1096716457.db2.gz MWIIFTHVWOMOER-MSOLQXFVSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171418867 1096716460 /nfs/dbraw/zinc/71/64/60/1096716460.db2.gz MWIIFTHVWOMOER-MSOLQXFVSA-N 2 2 310.416 3.069 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171492800 1096898602 /nfs/dbraw/zinc/89/86/02/1096898602.db2.gz IXHGEGZMFFMRMR-MRXNPFEDSA-N 2 2 317.383 3.356 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171466563 1096902939 /nfs/dbraw/zinc/90/29/39/1096902939.db2.gz NBZLEGPRXBBPGQ-HOTGVXAUSA-N 2 2 308.416 3.142 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171466563 1096902942 /nfs/dbraw/zinc/90/29/42/1096902942.db2.gz NBZLEGPRXBBPGQ-HOTGVXAUSA-N 2 2 308.416 3.142 20 0 DGADLP C[NH+]1C(C)(C)CC([NH+]2CCC([NH+]3CCCC3)CC2)CC1(C)C ZINC001171628841 1096930509 /nfs/dbraw/zinc/93/05/09/1096930509.db2.gz ITFJTWDSEBXQPJ-UHFFFAOYSA-N 3 2 307.526 3.198 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171811937 1096985382 /nfs/dbraw/zinc/98/53/82/1096985382.db2.gz JIZPWKBMTDSIHK-CVEARBPZSA-N 2 2 312.388 3.150 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171811937 1096985384 /nfs/dbraw/zinc/98/53/84/1096985384.db2.gz JIZPWKBMTDSIHK-CVEARBPZSA-N 2 2 312.388 3.150 20 0 DGADLP CCOC(=O)C1(C)CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001171956001 1097003399 /nfs/dbraw/zinc/00/33/99/1097003399.db2.gz IAEWGGMYDKWQEB-SYJJWHGVSA-N 2 2 319.449 3.035 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171969560 1097019050 /nfs/dbraw/zinc/01/90/50/1097019050.db2.gz VDWITLPQKKMTEU-LJQANCHMSA-N 3 2 317.521 3.490 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171969560 1097019057 /nfs/dbraw/zinc/01/90/57/1097019057.db2.gz VDWITLPQKKMTEU-LJQANCHMSA-N 3 2 317.521 3.490 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969560 1097019061 /nfs/dbraw/zinc/01/90/61/1097019061.db2.gz VDWITLPQKKMTEU-LJQANCHMSA-N 3 2 317.521 3.490 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969560 1097019066 /nfs/dbraw/zinc/01/90/66/1097019066.db2.gz VDWITLPQKKMTEU-LJQANCHMSA-N 3 2 317.521 3.490 20 0 DGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CC2CC2)CC3)cs1 ZINC000096075305 1097037048 /nfs/dbraw/zinc/03/70/48/1097037048.db2.gz XPGTVRNXMZANKC-UHFFFAOYSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CC2CC2)CC3)cs1 ZINC000096075305 1097037053 /nfs/dbraw/zinc/03/70/53/1097037053.db2.gz XPGTVRNXMZANKC-UHFFFAOYSA-N 2 2 305.491 3.292 20 0 DGADLP C[C@@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069504 1097046337 /nfs/dbraw/zinc/04/63/37/1097046337.db2.gz QNYQCUIMOOWLNR-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069504 1097046341 /nfs/dbraw/zinc/04/63/41/1097046341.db2.gz QNYQCUIMOOWLNR-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069504 1097046350 /nfs/dbraw/zinc/04/63/50/1097046350.db2.gz QNYQCUIMOOWLNR-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069504 1097046355 /nfs/dbraw/zinc/04/63/55/1097046355.db2.gz QNYQCUIMOOWLNR-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126664 1097048303 /nfs/dbraw/zinc/04/83/03/1097048303.db2.gz XWZFDIMKHOFSSD-HZMVEIRTSA-N 2 2 322.493 3.198 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126664 1097048308 /nfs/dbraw/zinc/04/83/08/1097048308.db2.gz XWZFDIMKHOFSSD-HZMVEIRTSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126664 1097048313 /nfs/dbraw/zinc/04/83/13/1097048313.db2.gz XWZFDIMKHOFSSD-HZMVEIRTSA-N 2 2 322.493 3.198 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C)C2 ZINC001172126664 1097048319 /nfs/dbraw/zinc/04/83/19/1097048319.db2.gz XWZFDIMKHOFSSD-HZMVEIRTSA-N 2 2 322.493 3.198 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172129548 1097049333 /nfs/dbraw/zinc/04/93/33/1097049333.db2.gz CJPUKWSOLNLURI-REPLKXPHSA-N 3 2 307.526 3.198 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172129548 1097049339 /nfs/dbraw/zinc/04/93/39/1097049339.db2.gz CJPUKWSOLNLURI-REPLKXPHSA-N 3 2 307.526 3.198 20 0 DGADLP CCCC[NH+]1CCC([NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172129548 1097049345 /nfs/dbraw/zinc/04/93/45/1097049345.db2.gz CJPUKWSOLNLURI-REPLKXPHSA-N 3 2 307.526 3.198 20 0 DGADLP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172115062 1097062200 /nfs/dbraw/zinc/06/22/00/1097062200.db2.gz UCGBKKNZCGQADR-RUYXUALKSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172115062 1097062205 /nfs/dbraw/zinc/06/22/05/1097062205.db2.gz UCGBKKNZCGQADR-RUYXUALKSA-N 2 2 313.489 3.132 20 0 DGADLP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118187 1097063877 /nfs/dbraw/zinc/06/38/77/1097063877.db2.gz PEIUDAQJUYJPIB-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118187 1097063883 /nfs/dbraw/zinc/06/38/83/1097063883.db2.gz PEIUDAQJUYJPIB-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118187 1097063889 /nfs/dbraw/zinc/06/38/89/1097063889.db2.gz PEIUDAQJUYJPIB-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118187 1097063897 /nfs/dbraw/zinc/06/38/97/1097063897.db2.gz PEIUDAQJUYJPIB-FFGOWVMKSA-N 3 2 315.505 3.099 20 0 DGADLP c1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCCC2)cc1 ZINC001172218368 1097079383 /nfs/dbraw/zinc/07/93/83/1097079383.db2.gz RZHWZYHJJQYOAS-XVLXNVKGSA-N 2 2 300.446 3.123 20 0 DGADLP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CS2 ZINC001172196096 1097085172 /nfs/dbraw/zinc/08/51/72/1097085172.db2.gz DOLAKPFHRGVYDG-IRXDYDNUSA-N 2 2 302.487 3.167 20 0 DGADLP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CS2 ZINC001172196096 1097085177 /nfs/dbraw/zinc/08/51/77/1097085177.db2.gz DOLAKPFHRGVYDG-IRXDYDNUSA-N 2 2 302.487 3.167 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172346458 1097120592 /nfs/dbraw/zinc/12/05/92/1097120592.db2.gz ABGYTYBUTKYUEP-CABCVRRESA-N 2 2 323.456 3.373 20 0 DGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228835916 1097199922 /nfs/dbraw/zinc/19/99/22/1097199922.db2.gz KMHRYXZCDSTLBE-BRWVUGGUSA-N 2 2 320.481 3.041 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173551 1097214067 /nfs/dbraw/zinc/21/40/67/1097214067.db2.gz IEHNYGSFZIJLNN-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173551 1097214068 /nfs/dbraw/zinc/21/40/68/1097214068.db2.gz IEHNYGSFZIJLNN-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172748897 1097225040 /nfs/dbraw/zinc/22/50/40/1097225040.db2.gz HFCCTWYVFQTEGY-INIZCTEOSA-N 2 2 310.482 3.057 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172753302 1097229582 /nfs/dbraw/zinc/22/95/82/1097229582.db2.gz RBRCLDSOSDIOHM-MRXNPFEDSA-N 2 2 318.461 3.057 20 0 DGADLP CCCOC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001173089576 1097317380 /nfs/dbraw/zinc/31/73/80/1097317380.db2.gz NUBFJOWCHIRIJL-UHFFFAOYSA-N 2 2 317.477 3.378 20 0 DGADLP CCCOC1CCC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001173096180 1097320712 /nfs/dbraw/zinc/32/07/12/1097320712.db2.gz LVYQWRSIWNYDMB-XBMUEBEBSA-N 2 2 302.462 3.110 20 0 DGADLP CCCOC1CCC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001173096180 1097320717 /nfs/dbraw/zinc/32/07/17/1097320717.db2.gz LVYQWRSIWNYDMB-XBMUEBEBSA-N 2 2 302.462 3.110 20 0 DGADLP CCc1[nH+]ccc(C)c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212712872 1097356308 /nfs/dbraw/zinc/35/63/08/1097356308.db2.gz HOUCIKJINTYBFM-UHFFFAOYSA-N 2 2 310.445 3.448 20 0 DGADLP CCC[NH+](CCC)[C@@H]1CCc2cccc(OC3C[NH+](C)C3)c2C1 ZINC001229647594 1097358377 /nfs/dbraw/zinc/35/83/77/1097358377.db2.gz LJVMXAGUHMGXRZ-QGZVFWFLSA-N 2 2 316.489 3.359 20 0 DGADLP C[NH+](C)Cc1cc(F)ccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001229855510 1097400272 /nfs/dbraw/zinc/40/02/72/1097400272.db2.gz YLJKHRLBRDVASG-UHFFFAOYSA-N 2 2 314.404 3.151 20 0 DGADLP CC[C@@H]1CC[C@H]([N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283111 1097413166 /nfs/dbraw/zinc/41/31/66/1097413166.db2.gz SOHTZHCVWZSEEI-CVEARBPZSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@@H]1CC[C@H]([N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283111 1097413167 /nfs/dbraw/zinc/41/31/67/1097413167.db2.gz SOHTZHCVWZSEEI-CVEARBPZSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@@H]1CC[C@@H](N(c2cc[nH+]c(OC)c2)C2CC[NH2+]CC2)C1 ZINC001173285481 1097413974 /nfs/dbraw/zinc/41/39/74/1097413974.db2.gz WKVJCZMCUOWIPG-GDBMZVCRSA-N 2 2 303.450 3.227 20 0 DGADLP C[N@@H+]1CCc2ncc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2C1 ZINC001174523472 1097763416 /nfs/dbraw/zinc/76/34/16/1097763416.db2.gz PCKKQEKQLQUDHK-UHFFFAOYSA-N 2 2 323.444 3.198 20 0 DGADLP C[N@H+]1CCc2ncc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2C1 ZINC001174523472 1097763420 /nfs/dbraw/zinc/76/34/20/1097763420.db2.gz PCKKQEKQLQUDHK-UHFFFAOYSA-N 2 2 323.444 3.198 20 0 DGADLP CC(C)[N@H+](Cc1cc(Br)c[nH]1)C1CC[NH+](C)CC1 ZINC001231578427 1097782746 /nfs/dbraw/zinc/78/27/46/1097782746.db2.gz JNBMCEQVWIRNAR-UHFFFAOYSA-N 2 2 314.271 3.082 20 0 DGADLP CC(C)[N@@H+](Cc1cc(Br)c[nH]1)C1CC[NH+](C)CC1 ZINC001231578427 1097782750 /nfs/dbraw/zinc/78/27/50/1097782750.db2.gz JNBMCEQVWIRNAR-UHFFFAOYSA-N 2 2 314.271 3.082 20 0 DGADLP CCc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001231640854 1097798459 /nfs/dbraw/zinc/79/84/59/1097798459.db2.gz OMLZOZTUJQOXGC-LJQANCHMSA-N 2 2 301.478 3.484 20 0 DGADLP CCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001231640854 1097798467 /nfs/dbraw/zinc/79/84/67/1097798467.db2.gz OMLZOZTUJQOXGC-LJQANCHMSA-N 2 2 301.478 3.484 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccnc(C(F)F)c3)CC2)cc[nH+]1 ZINC001231893638 1097882229 /nfs/dbraw/zinc/88/22/29/1097882229.db2.gz IWPSIGYZTRIMTO-UHFFFAOYSA-N 2 2 318.371 3.045 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)cc(F)cc1Cl)CC2 ZINC001232104654 1097941245 /nfs/dbraw/zinc/94/12/45/1097941245.db2.gz UMXBKJPQTIIHAH-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP CC[NH+]1CCC(CC2CC[NH+](Cc3nnc(C)s3)CC2)CC1 ZINC001232246412 1097981051 /nfs/dbraw/zinc/98/10/51/1097981051.db2.gz HXCLAFDDTKBCSR-UHFFFAOYSA-N 2 2 322.522 3.181 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C)c3OC(C)C)C[C@H]2C1 ZINC001232394476 1098025642 /nfs/dbraw/zinc/02/56/42/1098025642.db2.gz PCGJMXZJDASQFE-QZTJIDSGSA-N 2 2 302.462 3.166 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[NH+](Cc1cccnc1)C2 ZINC001175381256 1098029807 /nfs/dbraw/zinc/02/98/07/1098029807.db2.gz FPIDPHJVRYKVFV-SFTDATJTSA-N 2 2 321.468 3.426 20 0 DGADLP CCc1csc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)n1 ZINC001232469508 1098048555 /nfs/dbraw/zinc/04/85/55/1098048555.db2.gz JTWGBMAHCBOYRP-UHFFFAOYSA-N 2 2 316.474 3.148 20 0 DGADLP CCOc1ccnc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232584415 1098084812 /nfs/dbraw/zinc/08/48/12/1098084812.db2.gz DNZSEMWNRVCHHR-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccnc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232584415 1098084814 /nfs/dbraw/zinc/08/48/14/1098084814.db2.gz DNZSEMWNRVCHHR-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001232584415 1098084820 /nfs/dbraw/zinc/08/48/20/1098084820.db2.gz DNZSEMWNRVCHHR-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001232584415 1098084823 /nfs/dbraw/zinc/08/48/23/1098084823.db2.gz DNZSEMWNRVCHHR-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP COCC[N@H+](Cc1ccc2ccsc2c1)C1CC[NH+](C)CC1 ZINC001232611309 1098093460 /nfs/dbraw/zinc/09/34/60/1098093460.db2.gz IIVMRMJMDBLAPK-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP COCC[N@@H+](Cc1ccc2ccsc2c1)C1CC[NH+](C)CC1 ZINC001232611309 1098093464 /nfs/dbraw/zinc/09/34/64/1098093464.db2.gz IIVMRMJMDBLAPK-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(O)cc(OC)c2)CC1 ZINC001232810103 1098142509 /nfs/dbraw/zinc/14/25/09/1098142509.db2.gz ZCKRERSDNONBCU-UHFFFAOYSA-N 2 2 306.450 3.097 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(OC)c2)CC1 ZINC001232810103 1098142510 /nfs/dbraw/zinc/14/25/10/1098142510.db2.gz ZCKRERSDNONBCU-UHFFFAOYSA-N 2 2 306.450 3.097 20 0 DGADLP c1ccn(-c2ccccc2C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001232911698 1098170864 /nfs/dbraw/zinc/17/08/64/1098170864.db2.gz MFCRWYTXURNCJT-UHFFFAOYSA-N 2 2 321.468 3.395 20 0 DGADLP c1ccn(-c2ccccc2C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001232911698 1098170867 /nfs/dbraw/zinc/17/08/67/1098170867.db2.gz MFCRWYTXURNCJT-UHFFFAOYSA-N 2 2 321.468 3.395 20 0 DGADLP Cc1cnsc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233321062 1098286792 /nfs/dbraw/zinc/28/67/92/1098286792.db2.gz YWSAKQLXUPJDPZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cnsc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233321062 1098286794 /nfs/dbraw/zinc/28/67/94/1098286794.db2.gz YWSAKQLXUPJDPZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233321062 1098286797 /nfs/dbraw/zinc/28/67/97/1098286797.db2.gz YWSAKQLXUPJDPZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233321062 1098286800 /nfs/dbraw/zinc/28/68/00/1098286800.db2.gz YWSAKQLXUPJDPZ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3nccn32)CC1 ZINC001233364405 1098301316 /nfs/dbraw/zinc/30/13/16/1098301316.db2.gz IIDMHZFESCIGLG-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3nccn32)CC1 ZINC001233364405 1098301319 /nfs/dbraw/zinc/30/13/19/1098301319.db2.gz IIDMHZFESCIGLG-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807139 1098429933 /nfs/dbraw/zinc/42/99/33/1098429933.db2.gz KUJWGPYHIFMCOB-QFBILLFUSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807139 1098429935 /nfs/dbraw/zinc/42/99/35/1098429935.db2.gz KUJWGPYHIFMCOB-QFBILLFUSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@H](C)[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807139 1098429937 /nfs/dbraw/zinc/42/99/37/1098429937.db2.gz KUJWGPYHIFMCOB-QFBILLFUSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@H](C)[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807139 1098429940 /nfs/dbraw/zinc/42/99/40/1098429940.db2.gz KUJWGPYHIFMCOB-QFBILLFUSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3nccn3CC)(C1)CCC2 ZINC001277808537 1098433320 /nfs/dbraw/zinc/43/33/20/1098433320.db2.gz YNLODJPICZSFRP-NXHRZFHOSA-N 2 2 304.482 3.226 20 0 DGADLP CC[C@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3nccn3CC)(C1)CCC2 ZINC001277808536 1098433350 /nfs/dbraw/zinc/43/33/50/1098433350.db2.gz YNLODJPICZSFRP-JQHSSLGASA-N 2 2 304.482 3.226 20 0 DGADLP C[C@@H](c1ccc(F)nc1)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177015465 1098462873 /nfs/dbraw/zinc/46/28/73/1098462873.db2.gz IXKOQYLLLQLWNR-JCGIZDLHSA-N 2 2 303.425 3.090 20 0 DGADLP C[C@@H](c1ccc(F)nc1)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177015465 1098462875 /nfs/dbraw/zinc/46/28/75/1098462875.db2.gz IXKOQYLLLQLWNR-JCGIZDLHSA-N 2 2 303.425 3.090 20 0 DGADLP C[C@@H](c1ccc(F)nc1)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177015465 1098462878 /nfs/dbraw/zinc/46/28/78/1098462878.db2.gz IXKOQYLLLQLWNR-JCGIZDLHSA-N 2 2 303.425 3.090 20 0 DGADLP C[C@@H](c1ccc(F)nc1)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177015465 1098462880 /nfs/dbraw/zinc/46/28/80/1098462880.db2.gz IXKOQYLLLQLWNR-JCGIZDLHSA-N 2 2 303.425 3.090 20 0 DGADLP COc1cc(C[N@H+](C)C2CC(F)(F)C2)ccc1-n1cc[nH+]c1 ZINC001234033276 1098480664 /nfs/dbraw/zinc/48/06/64/1098480664.db2.gz RDVJJZGRHFQWFU-UHFFFAOYSA-N 2 2 307.344 3.110 20 0 DGADLP COc1cc(C[N@@H+](C)C2CC(F)(F)C2)ccc1-n1cc[nH+]c1 ZINC001234033276 1098480665 /nfs/dbraw/zinc/48/06/65/1098480665.db2.gz RDVJJZGRHFQWFU-UHFFFAOYSA-N 2 2 307.344 3.110 20 0 DGADLP COc1cc(C[NH+]2CCC(C)(F)CC2)ccc1-n1cc[nH+]c1 ZINC001234032616 1098481136 /nfs/dbraw/zinc/48/11/36/1098481136.db2.gz KMQQWWUWEMOOCE-UHFFFAOYSA-N 2 2 303.381 3.205 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234066840 1098489392 /nfs/dbraw/zinc/48/93/92/1098489392.db2.gz QECJUKJPVUEUFP-CQSZACIVSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234066840 1098489394 /nfs/dbraw/zinc/48/93/94/1098489394.db2.gz QECJUKJPVUEUFP-CQSZACIVSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068096 1098489457 /nfs/dbraw/zinc/48/94/57/1098489457.db2.gz XDEPLHHQUXUQOG-MRXNPFEDSA-N 2 2 319.355 3.112 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068096 1098489458 /nfs/dbraw/zinc/48/94/58/1098489458.db2.gz XDEPLHHQUXUQOG-MRXNPFEDSA-N 2 2 319.355 3.112 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC001234990563 1098735697 /nfs/dbraw/zinc/73/56/97/1098735697.db2.gz AWMFDIDGCKEOMO-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC001234990563 1098735706 /nfs/dbraw/zinc/73/57/06/1098735706.db2.gz AWMFDIDGCKEOMO-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235008529 1098748164 /nfs/dbraw/zinc/74/81/64/1098748164.db2.gz WTSSKCPCVNVTCI-AZUAARDMSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235008529 1098748171 /nfs/dbraw/zinc/74/81/71/1098748171.db2.gz WTSSKCPCVNVTCI-AZUAARDMSA-N 2 2 308.425 3.156 20 0 DGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001235006917 1098748464 /nfs/dbraw/zinc/74/84/64/1098748464.db2.gz LMDTZSTUNQYYTR-UHFFFAOYSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001235006917 1098748477 /nfs/dbraw/zinc/74/84/77/1098748477.db2.gz LMDTZSTUNQYYTR-UHFFFAOYSA-N 2 2 313.832 3.325 20 0 DGADLP CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235007427 1098748807 /nfs/dbraw/zinc/74/88/07/1098748807.db2.gz LJGXNQLIPZQEJN-HXUWFJFHSA-N 2 2 316.489 3.186 20 0 DGADLP CC(C)(C)c1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235007427 1098748812 /nfs/dbraw/zinc/74/88/12/1098748812.db2.gz LJGXNQLIPZQEJN-HXUWFJFHSA-N 2 2 316.489 3.186 20 0 DGADLP COc1ccccc1Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235030855 1098759761 /nfs/dbraw/zinc/75/97/61/1098759761.db2.gz GSCUIUVXUPBPLW-FUHWJXTLSA-N 2 2 324.424 3.281 20 0 DGADLP COc1ccccc1Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235030855 1098759770 /nfs/dbraw/zinc/75/97/70/1098759770.db2.gz GSCUIUVXUPBPLW-FUHWJXTLSA-N 2 2 324.424 3.281 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042947 1098768474 /nfs/dbraw/zinc/76/84/74/1098768474.db2.gz DAJGPEGBOHVYMT-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042947 1098768462 /nfs/dbraw/zinc/76/84/62/1098768462.db2.gz DAJGPEGBOHVYMT-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc(N2CCCC2)c1 ZINC001235089293 1098791867 /nfs/dbraw/zinc/79/18/67/1098791867.db2.gz OXAQVPAEBDMVIE-UHFFFAOYSA-N 2 2 313.489 3.347 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111780 1098813417 /nfs/dbraw/zinc/81/34/17/1098813417.db2.gz VKYZQFFIUXSQIA-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111780 1098813429 /nfs/dbraw/zinc/81/34/29/1098813429.db2.gz VKYZQFFIUXSQIA-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP CCCCc1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)s1 ZINC001235115398 1098816471 /nfs/dbraw/zinc/81/64/71/1098816471.db2.gz RDANSKDVRLRNRC-KRWDZBQOSA-N 2 2 308.491 3.045 20 0 DGADLP CCCCc1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)s1 ZINC001235115398 1098816477 /nfs/dbraw/zinc/81/64/77/1098816477.db2.gz RDANSKDVRLRNRC-KRWDZBQOSA-N 2 2 308.491 3.045 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001235158466 1098844841 /nfs/dbraw/zinc/84/48/41/1098844841.db2.gz GUABWVFCXZDLHT-MGPUTAFESA-N 2 2 305.425 3.255 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001235158466 1098844857 /nfs/dbraw/zinc/84/48/57/1098844857.db2.gz GUABWVFCXZDLHT-MGPUTAFESA-N 2 2 305.425 3.255 20 0 DGADLP Fc1cccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235171505 1098852721 /nfs/dbraw/zinc/85/27/21/1098852721.db2.gz JWVICPFKWKDUHY-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1cccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235171505 1098852726 /nfs/dbraw/zinc/85/27/26/1098852726.db2.gz JWVICPFKWKDUHY-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235172837 1098855504 /nfs/dbraw/zinc/85/55/04/1098855504.db2.gz CAOBJTUSFWYOST-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235172837 1098855509 /nfs/dbraw/zinc/85/55/09/1098855509.db2.gz CAOBJTUSFWYOST-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001235257911 1098929165 /nfs/dbraw/zinc/92/91/65/1098929165.db2.gz JUWPQDYRFSROCL-MAUKXSAKSA-N 2 2 305.425 3.125 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001235257911 1098929175 /nfs/dbraw/zinc/92/91/75/1098929175.db2.gz JUWPQDYRFSROCL-MAUKXSAKSA-N 2 2 305.425 3.125 20 0 DGADLP CCc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001235257219 1098929636 /nfs/dbraw/zinc/92/96/36/1098929636.db2.gz FVQLXDOWYYLKEF-RTBURBONSA-N 2 2 321.468 3.208 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1F ZINC001235400132 1098995389 /nfs/dbraw/zinc/99/53/89/1098995389.db2.gz HFQXRJIUXIBHHP-ROUUACIJSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1F ZINC001235400132 1098995399 /nfs/dbraw/zinc/99/53/99/1098995399.db2.gz HFQXRJIUXIBHHP-ROUUACIJSA-N 2 2 324.415 3.136 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc(C)c1Cl ZINC001235401774 1098997851 /nfs/dbraw/zinc/99/78/51/1098997851.db2.gz TURBQQVLYRPSEA-NVXWUHKLSA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc(C)c1Cl ZINC001235401774 1098997861 /nfs/dbraw/zinc/99/78/61/1098997861.db2.gz TURBQQVLYRPSEA-NVXWUHKLSA-N 2 2 310.844 3.480 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406245 1099005111 /nfs/dbraw/zinc/00/51/11/1099005111.db2.gz QLAUGCMWDKWKAJ-IRXDYDNUSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406245 1099005122 /nfs/dbraw/zinc/00/51/22/1099005122.db2.gz QLAUGCMWDKWKAJ-IRXDYDNUSA-N 2 2 321.827 3.345 20 0 DGADLP Fc1ccc2occ(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)c2c1 ZINC001235409321 1099008563 /nfs/dbraw/zinc/00/85/63/1099008563.db2.gz WHUPYXJHNGIPAM-IRXDYDNUSA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occ(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)c2c1 ZINC001235409321 1099008575 /nfs/dbraw/zinc/00/85/75/1099008575.db2.gz WHUPYXJHNGIPAM-IRXDYDNUSA-N 2 2 306.356 3.095 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1ccc(Br)c(Cl)c1F ZINC001235435258 1099014705 /nfs/dbraw/zinc/01/47/05/1099014705.db2.gz FPMKZXRDGBYGFZ-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1ccc(Br)c(Cl)c1F ZINC001235435258 1099014719 /nfs/dbraw/zinc/01/47/19/1099014719.db2.gz FPMKZXRDGBYGFZ-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2)c(F)c1F ZINC001235440976 1099037067 /nfs/dbraw/zinc/03/70/67/1099037067.db2.gz HMUSUFWRQGIDEW-UHFFFAOYSA-N 2 2 320.383 3.324 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2)c(F)c1F ZINC001235440976 1099037080 /nfs/dbraw/zinc/03/70/80/1099037080.db2.gz HMUSUFWRQGIDEW-UHFFFAOYSA-N 2 2 320.383 3.324 20 0 DGADLP Cc1cc(Cl)cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001235532613 1099078014 /nfs/dbraw/zinc/07/80/14/1099078014.db2.gz BFIGGPYLMVTHQX-UHFFFAOYSA-N 2 2 321.852 3.278 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2cccc3c2OCO3)c2ccccc2)c[nH+]1 ZINC001179437448 1099094481 /nfs/dbraw/zinc/09/44/81/1099094481.db2.gz HGOMCUXXYQGYRJ-KRWDZBQOSA-N 2 2 321.380 3.143 20 0 DGADLP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@H](C)[NH3+])CC3)C2)cc1 ZINC001235598210 1099098026 /nfs/dbraw/zinc/09/80/26/1099098026.db2.gz VHXKERMHMMJPQY-SFHVURJKSA-N 3 2 315.505 3.020 20 0 DGADLP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C[C@H](C)[NH3+])CC3)C2)cc1 ZINC001235598210 1099098039 /nfs/dbraw/zinc/09/80/39/1099098039.db2.gz VHXKERMHMMJPQY-SFHVURJKSA-N 3 2 315.505 3.020 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001235712079 1099141439 /nfs/dbraw/zinc/14/14/39/1099141439.db2.gz YOFNARCJJYFASX-MJGOQNOKSA-N 2 2 310.441 3.402 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001235712079 1099141443 /nfs/dbraw/zinc/14/14/43/1099141443.db2.gz YOFNARCJJYFASX-MJGOQNOKSA-N 2 2 310.441 3.402 20 0 DGADLP [NH3+]C[C@H]1CC[N@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001235750317 1099163557 /nfs/dbraw/zinc/16/35/57/1099163557.db2.gz PBEWSSZTVOEKLW-CQSZACIVSA-N 2 2 300.377 3.399 20 0 DGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001235750317 1099163561 /nfs/dbraw/zinc/16/35/61/1099163561.db2.gz PBEWSSZTVOEKLW-CQSZACIVSA-N 2 2 300.377 3.399 20 0 DGADLP COCCC[N@H+](Cc1cc(Cl)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC001235805143 1099186918 /nfs/dbraw/zinc/18/69/18/1099186918.db2.gz GVBPHSNIFKPLMG-QGZVFWFLSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1cc(Cl)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC001235805143 1099186921 /nfs/dbraw/zinc/18/69/21/1099186921.db2.gz GVBPHSNIFKPLMG-QGZVFWFLSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@H+](Cc1ccc2ccsc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235806268 1099187560 /nfs/dbraw/zinc/18/75/60/1099187560.db2.gz MQHKSVPIXDJXCE-QGZVFWFLSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@@H+](Cc1ccc2ccsc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235806268 1099187566 /nfs/dbraw/zinc/18/75/66/1099187566.db2.gz MQHKSVPIXDJXCE-QGZVFWFLSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807257 1099189808 /nfs/dbraw/zinc/18/98/08/1099189808.db2.gz NQCSXNSPJUYWBK-GOSISDBHSA-N 2 2 320.477 3.064 20 0 DGADLP COCCC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235807257 1099189811 /nfs/dbraw/zinc/18/98/11/1099189811.db2.gz NQCSXNSPJUYWBK-GOSISDBHSA-N 2 2 320.477 3.064 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(O)cc(Cl)c3)cc2)C1 ZINC001235904696 1099247532 /nfs/dbraw/zinc/24/75/32/1099247532.db2.gz PAJKZTTXANCQLN-MRXNPFEDSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(O)cc(Cl)c3)cc2)C1 ZINC001235904696 1099247538 /nfs/dbraw/zinc/24/75/38/1099247538.db2.gz PAJKZTTXANCQLN-MRXNPFEDSA-N 2 2 302.805 3.246 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235937540 1099272225 /nfs/dbraw/zinc/27/22/25/1099272225.db2.gz INGHWPMKIAUZGP-UKRRQHHQSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235937540 1099272229 /nfs/dbraw/zinc/27/22/29/1099272229.db2.gz INGHWPMKIAUZGP-UKRRQHHQSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001235946836 1099279526 /nfs/dbraw/zinc/27/95/26/1099279526.db2.gz CRNGOIIPIYVZND-UHFFFAOYSA-N 2 2 314.429 3.140 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001235946836 1099279534 /nfs/dbraw/zinc/27/95/34/1099279534.db2.gz CRNGOIIPIYVZND-UHFFFAOYSA-N 2 2 314.429 3.140 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(Cl)c(Br)c1 ZINC001235947688 1099281613 /nfs/dbraw/zinc/28/16/13/1099281613.db2.gz OCKIFLJADLUJPN-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(Cl)c(Br)c1 ZINC001235947688 1099281616 /nfs/dbraw/zinc/28/16/16/1099281616.db2.gz OCKIFLJADLUJPN-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP COc1c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)ccc(Cl)c1Cl ZINC001235960503 1099292100 /nfs/dbraw/zinc/29/21/00/1099292100.db2.gz YDGBYTVNXHBDAH-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP COc1c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc(Cl)c1Cl ZINC001235960503 1099292110 /nfs/dbraw/zinc/29/21/10/1099292110.db2.gz YDGBYTVNXHBDAH-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP Cc1ccc(-c2cncc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])c2)cc1 ZINC001235958791 1099292361 /nfs/dbraw/zinc/29/23/61/1099292361.db2.gz FCSCGLRDGQUGDV-OPVJXMOQSA-N 2 2 307.441 3.226 20 0 DGADLP Cc1ccc(-c2cncc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])c2)cc1 ZINC001235958791 1099292368 /nfs/dbraw/zinc/29/23/68/1099292368.db2.gz FCSCGLRDGQUGDV-OPVJXMOQSA-N 2 2 307.441 3.226 20 0 DGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC001235959246 1099292538 /nfs/dbraw/zinc/29/25/38/1099292538.db2.gz JWGQHEIXWJRMAF-WDAIWFPHSA-N 2 2 316.779 3.111 20 0 DGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC001235959246 1099292546 /nfs/dbraw/zinc/29/25/46/1099292546.db2.gz JWGQHEIXWJRMAF-WDAIWFPHSA-N 2 2 316.779 3.111 20 0 DGADLP Cc1cccc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])c(Cl)nc12 ZINC001235960637 1099294840 /nfs/dbraw/zinc/29/48/40/1099294840.db2.gz VSQHGIPEPDOSAU-MIFYACCESA-N 2 2 315.848 3.366 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])c(Cl)nc12 ZINC001235960637 1099294848 /nfs/dbraw/zinc/29/48/48/1099294848.db2.gz VSQHGIPEPDOSAU-MIFYACCESA-N 2 2 315.848 3.366 20 0 DGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963862 1099296693 /nfs/dbraw/zinc/29/66/93/1099296693.db2.gz WTYROOADEUVEND-VQIMIIECSA-N 2 2 319.493 3.355 20 0 DGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963862 1099296703 /nfs/dbraw/zinc/29/67/03/1099296703.db2.gz WTYROOADEUVEND-VQIMIIECSA-N 2 2 319.493 3.355 20 0 DGADLP CC[N@H+](Cc1ccc(OC)c2cccc(OC)c12)[C@@H]1CC[NH2+]C1 ZINC001235971345 1099300053 /nfs/dbraw/zinc/30/00/53/1099300053.db2.gz VEWTUIFRXHKYNK-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP CC[N@@H+](Cc1ccc(OC)c2cccc(OC)c12)[C@@H]1CC[NH2+]C1 ZINC001235971345 1099300064 /nfs/dbraw/zinc/30/00/64/1099300064.db2.gz VEWTUIFRXHKYNK-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP CC[N@H+](Cc1ccc(OC)c2ccc(OC)cc12)[C@H]1CC[NH2+]C1 ZINC001235973675 1099304761 /nfs/dbraw/zinc/30/47/61/1099304761.db2.gz FTMWATYTIAQCON-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP CC[N@@H+](Cc1ccc(OC)c2ccc(OC)cc12)[C@H]1CC[NH2+]C1 ZINC001235973675 1099304773 /nfs/dbraw/zinc/30/47/73/1099304773.db2.gz FTMWATYTIAQCON-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979210 1099306218 /nfs/dbraw/zinc/30/62/18/1099306218.db2.gz KRJOJLGLUDRARQ-QUCCMNQESA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979210 1099306229 /nfs/dbraw/zinc/30/62/29/1099306229.db2.gz KRJOJLGLUDRARQ-QUCCMNQESA-N 2 2 308.425 3.189 20 0 DGADLP Fc1cc(F)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1Cl ZINC001236010662 1099332957 /nfs/dbraw/zinc/33/29/57/1099332957.db2.gz WNUGKTCKBJUSHA-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045254 1099347336 /nfs/dbraw/zinc/34/73/36/1099347336.db2.gz BLSUHJBCZABYHN-NVXWUHKLSA-N 2 2 320.440 3.195 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045254 1099347345 /nfs/dbraw/zinc/34/73/45/1099347345.db2.gz BLSUHJBCZABYHN-NVXWUHKLSA-N 2 2 320.440 3.195 20 0 DGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc(C)c1F ZINC001236195085 1099458032 /nfs/dbraw/zinc/45/80/32/1099458032.db2.gz NYVNVSVGYLGUMK-QGZVFWFLSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc(C)c1F ZINC001236195085 1099458038 /nfs/dbraw/zinc/45/80/38/1099458038.db2.gz NYVNVSVGYLGUMK-QGZVFWFLSA-N 2 2 314.404 3.343 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC001236219662 1099478039 /nfs/dbraw/zinc/47/80/39/1099478039.db2.gz XGCPZFFZXKLSTC-UONOGXRCSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC001236219662 1099478046 /nfs/dbraw/zinc/47/80/46/1099478046.db2.gz XGCPZFFZXKLSTC-UONOGXRCSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1F)C1(C)CC[NH2+]CC1 ZINC001236226119 1099483845 /nfs/dbraw/zinc/48/38/45/1099483845.db2.gz JAOVPQWFEBDGOG-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1F)C1(C)CC[NH2+]CC1 ZINC001236226119 1099483851 /nfs/dbraw/zinc/48/38/51/1099483851.db2.gz JAOVPQWFEBDGOG-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC001236245331 1099499020 /nfs/dbraw/zinc/49/90/20/1099499020.db2.gz NGQTXYZAONWRHB-CQSZACIVSA-N 2 2 302.443 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC001236245331 1099499030 /nfs/dbraw/zinc/49/90/30/1099499030.db2.gz NGQTXYZAONWRHB-CQSZACIVSA-N 2 2 302.443 3.347 20 0 DGADLP CCC[N@H+](Cc1cccc(-c2nccs2)c1)[C@H]1CC[NH2+]C1 ZINC001236323489 1099538169 /nfs/dbraw/zinc/53/81/69/1099538169.db2.gz IHMPFRQNILAPQJ-INIZCTEOSA-N 2 2 301.459 3.384 20 0 DGADLP CCC[N@@H+](Cc1cccc(-c2nccs2)c1)[C@H]1CC[NH2+]C1 ZINC001236323489 1099538180 /nfs/dbraw/zinc/53/81/80/1099538180.db2.gz IHMPFRQNILAPQJ-INIZCTEOSA-N 2 2 301.459 3.384 20 0 DGADLP Oc1c(F)ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236375039 1099561495 /nfs/dbraw/zinc/56/14/95/1099561495.db2.gz HVKBOHZXCFAZMU-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1c(F)ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001236375039 1099561505 /nfs/dbraw/zinc/56/15/05/1099561505.db2.gz HVKBOHZXCFAZMU-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP CCOC(C)(C)C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387364 1099568678 /nfs/dbraw/zinc/56/86/78/1099568678.db2.gz AUPPFUXHYGYNSS-QGZVFWFLSA-N 2 2 308.441 3.195 20 0 DGADLP CCOC(C)(C)C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387364 1099568690 /nfs/dbraw/zinc/56/86/90/1099568690.db2.gz AUPPFUXHYGYNSS-QGZVFWFLSA-N 2 2 308.441 3.195 20 0 DGADLP C[N@H+](Cc1ccccc1Oc1ccc(F)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410509 1099583530 /nfs/dbraw/zinc/58/35/30/1099583530.db2.gz BVCVZVGFHGIATK-DZFIZOCASA-N 2 2 312.388 3.268 20 0 DGADLP C[N@@H+](Cc1ccccc1Oc1ccc(F)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410509 1099583537 /nfs/dbraw/zinc/58/35/37/1099583537.db2.gz BVCVZVGFHGIATK-DZFIZOCASA-N 2 2 312.388 3.268 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(F)c1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236412135 1099586533 /nfs/dbraw/zinc/58/65/33/1099586533.db2.gz RXAPHKVPHKKNDJ-CYBMUJFWSA-N 2 2 312.404 3.183 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(F)c1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236412135 1099586537 /nfs/dbraw/zinc/58/65/37/1099586537.db2.gz RXAPHKVPHKKNDJ-CYBMUJFWSA-N 2 2 312.404 3.183 20 0 DGADLP Cc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1O ZINC001236416675 1099590497 /nfs/dbraw/zinc/59/04/97/1099590497.db2.gz XXPSPSSZKFIALE-HNNXBMFYSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1O ZINC001236416675 1099590502 /nfs/dbraw/zinc/59/05/02/1099590502.db2.gz XXPSPSSZKFIALE-HNNXBMFYSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1[nH+]cn(-c2ccc(-c3cccc(C[NH+](C)C)c3)nn2)c1C ZINC001236420608 1099595609 /nfs/dbraw/zinc/59/56/09/1099595609.db2.gz RGQRRQGLGZJTBW-UHFFFAOYSA-N 2 2 307.401 3.008 20 0 DGADLP CCOc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236473905 1099631572 /nfs/dbraw/zinc/63/15/72/1099631572.db2.gz IDXBHCFSEYWUSM-MRXNPFEDSA-N 2 2 308.441 3.434 20 0 DGADLP CCOc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236473905 1099631574 /nfs/dbraw/zinc/63/15/74/1099631574.db2.gz IDXBHCFSEYWUSM-MRXNPFEDSA-N 2 2 308.441 3.434 20 0 DGADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c2c[nH]nc21 ZINC001236503535 1099650033 /nfs/dbraw/zinc/65/00/33/1099650033.db2.gz RPZPBVWYGAWQRA-OAHLLOKOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c2c[nH]nc21 ZINC001236503535 1099650035 /nfs/dbraw/zinc/65/00/35/1099650035.db2.gz RPZPBVWYGAWQRA-OAHLLOKOSA-N 2 2 306.413 3.071 20 0 DGADLP CC(C)OC(=O)C[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001277988170 1099698841 /nfs/dbraw/zinc/69/88/41/1099698841.db2.gz YPOVBHKEVKDUCO-UHFFFAOYSA-N 2 2 322.493 3.059 20 0 DGADLP CC(C)OC(=O)C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277988170 1099698847 /nfs/dbraw/zinc/69/88/47/1099698847.db2.gz YPOVBHKEVKDUCO-UHFFFAOYSA-N 2 2 322.493 3.059 20 0 DGADLP CC(C)[N@H+](Cc1cc(F)cc2c1OCCC2)C1CC[NH+](C)CC1 ZINC001236628518 1099713422 /nfs/dbraw/zinc/71/34/22/1099713422.db2.gz ZOXDUTVEPFTUHL-UHFFFAOYSA-N 2 2 320.452 3.455 20 0 DGADLP CC(C)[N@@H+](Cc1cc(F)cc2c1OCCC2)C1CC[NH+](C)CC1 ZINC001236628518 1099713429 /nfs/dbraw/zinc/71/34/29/1099713429.db2.gz ZOXDUTVEPFTUHL-UHFFFAOYSA-N 2 2 320.452 3.455 20 0 DGADLP COCc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236650731 1099721402 /nfs/dbraw/zinc/72/14/02/1099721402.db2.gz DTLQDWBTPNYPSF-HNNXBMFYSA-N 2 2 308.491 3.391 20 0 DGADLP COCc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236650731 1099721410 /nfs/dbraw/zinc/72/14/10/1099721410.db2.gz DTLQDWBTPNYPSF-HNNXBMFYSA-N 2 2 308.491 3.391 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1C[NH2+]CCO1 ZINC001236661753 1099730584 /nfs/dbraw/zinc/73/05/84/1099730584.db2.gz GEBRQCJIPQXHCE-OALUTQOASA-N 2 2 304.478 3.098 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1C[NH2+]CCO1 ZINC001236661753 1099730593 /nfs/dbraw/zinc/73/05/93/1099730593.db2.gz GEBRQCJIPQXHCE-OALUTQOASA-N 2 2 304.478 3.098 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(Cl)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236842355 1099825638 /nfs/dbraw/zinc/82/56/38/1099825638.db2.gz FIUHPUJCIKLIQI-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(Cl)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236842355 1099825647 /nfs/dbraw/zinc/82/56/47/1099825647.db2.gz FIUHPUJCIKLIQI-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@@H+](Cc1c(F)cc(Cl)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236845158 1099830698 /nfs/dbraw/zinc/83/06/98/1099830698.db2.gz ZFOCXGPEWHISJB-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP CCC[N@H+](Cc1c(F)cc(Cl)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236845158 1099830707 /nfs/dbraw/zinc/83/07/07/1099830707.db2.gz ZFOCXGPEWHISJB-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP CCC[N@@H+](Cc1cc(F)c(F)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236845147 1099832622 /nfs/dbraw/zinc/83/26/22/1099832622.db2.gz ZFFJVBFCARTPQO-SNVBAGLBSA-N 2 2 304.331 3.065 20 0 DGADLP CCC[N@H+](Cc1cc(F)c(F)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236845147 1099832631 /nfs/dbraw/zinc/83/26/31/1099832631.db2.gz ZFFJVBFCARTPQO-SNVBAGLBSA-N 2 2 304.331 3.065 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2occ(Br)c2c1 ZINC001236884826 1099849876 /nfs/dbraw/zinc/84/98/76/1099849876.db2.gz SQLPYOHNDSNACB-NSHDSACASA-N 2 2 311.223 3.364 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2occ(Br)c2c1 ZINC001236884826 1099849889 /nfs/dbraw/zinc/84/98/89/1099849889.db2.gz SQLPYOHNDSNACB-NSHDSACASA-N 2 2 311.223 3.364 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001236883620 1099850220 /nfs/dbraw/zinc/85/02/20/1099850220.db2.gz HLGNFRBSICGPMG-HNNXBMFYSA-N 2 2 300.402 3.354 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001236883620 1099850232 /nfs/dbraw/zinc/85/02/32/1099850232.db2.gz HLGNFRBSICGPMG-HNNXBMFYSA-N 2 2 300.402 3.354 20 0 DGADLP COCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904300 1099866194 /nfs/dbraw/zinc/86/61/94/1099866194.db2.gz SGORMOMYYZIWOG-UHFFFAOYSA-N 2 2 319.836 3.384 20 0 DGADLP C[C@]1(O)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904798 1099868571 /nfs/dbraw/zinc/86/85/71/1099868571.db2.gz WCLDPCKSJXCJRP-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904798 1099868576 /nfs/dbraw/zinc/86/85/76/1099868576.db2.gz WCLDPCKSJXCJRP-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP CC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236918072 1099876002 /nfs/dbraw/zinc/87/60/02/1099876002.db2.gz WYEWCOSQWDTXSN-AWEZNQCLSA-N 2 2 317.820 3.327 20 0 DGADLP CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236918072 1099876013 /nfs/dbraw/zinc/87/60/13/1099876013.db2.gz WYEWCOSQWDTXSN-AWEZNQCLSA-N 2 2 317.820 3.327 20 0 DGADLP OCC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236917350 1099878104 /nfs/dbraw/zinc/87/81/04/1099878104.db2.gz SSNXYFLCOLPJGB-AWEZNQCLSA-N 2 2 319.836 3.120 20 0 DGADLP OCC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236917350 1099878112 /nfs/dbraw/zinc/87/81/12/1099878112.db2.gz SSNXYFLCOLPJGB-AWEZNQCLSA-N 2 2 319.836 3.120 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001237056849 1099949502 /nfs/dbraw/zinc/94/95/02/1099949502.db2.gz KDXQHMHYLQWFMC-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001237056849 1099949508 /nfs/dbraw/zinc/94/95/08/1099949508.db2.gz KDXQHMHYLQWFMC-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(C(F)(F)F)c1 ZINC001237059759 1099950087 /nfs/dbraw/zinc/95/00/87/1099950087.db2.gz VGBNJHITJQFFFG-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(C(F)(F)F)c1 ZINC001237059759 1099950095 /nfs/dbraw/zinc/95/00/95/1099950095.db2.gz VGBNJHITJQFFFG-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142373 1099993258 /nfs/dbraw/zinc/99/32/58/1099993258.db2.gz MVNZDTIZLFMLPO-FQEVSTJZSA-N 2 2 324.424 3.043 20 0 DGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142373 1099993267 /nfs/dbraw/zinc/99/32/67/1099993267.db2.gz MVNZDTIZLFMLPO-FQEVSTJZSA-N 2 2 324.424 3.043 20 0 DGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142376 1099994006 /nfs/dbraw/zinc/99/40/06/1099994006.db2.gz MVNZDTIZLFMLPO-HXUWFJFHSA-N 2 2 324.424 3.043 20 0 DGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237142376 1099994016 /nfs/dbraw/zinc/99/40/16/1099994016.db2.gz MVNZDTIZLFMLPO-HXUWFJFHSA-N 2 2 324.424 3.043 20 0 DGADLP Clc1cccc2c(C[N@H+]3CCc4[nH+]ccn4CC3)ccnc12 ZINC001237148590 1099998118 /nfs/dbraw/zinc/99/81/18/1099998118.db2.gz DTDSPPXLCYOBLT-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP Clc1cccc2c(C[N@@H+]3CCc4[nH+]ccn4CC3)ccnc12 ZINC001237148590 1099998128 /nfs/dbraw/zinc/99/81/28/1099998128.db2.gz DTDSPPXLCYOBLT-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP FC(F)COc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237153788 1100003517 /nfs/dbraw/zinc/00/35/17/1100003517.db2.gz HUJAKADOXGVOGX-INIZCTEOSA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237153788 1100003521 /nfs/dbraw/zinc/00/35/21/1100003521.db2.gz HUJAKADOXGVOGX-INIZCTEOSA-N 2 2 324.415 3.437 20 0 DGADLP COc1c(C)cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237154612 1100003595 /nfs/dbraw/zinc/00/35/95/1100003595.db2.gz LUDGPXINENLIRY-SFHVURJKSA-N 2 2 302.462 3.419 20 0 DGADLP COc1c(C)cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237154612 1100003604 /nfs/dbraw/zinc/00/36/04/1100003604.db2.gz LUDGPXINENLIRY-SFHVURJKSA-N 2 2 302.462 3.419 20 0 DGADLP Clc1ccnc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001237156014 1100004831 /nfs/dbraw/zinc/00/48/31/1100004831.db2.gz MLCWACCTMUJQKD-CQSZACIVSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1ccnc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001237156014 1100004838 /nfs/dbraw/zinc/00/48/38/1100004838.db2.gz MLCWACCTMUJQKD-CQSZACIVSA-N 2 2 318.852 3.323 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237160263 1100008859 /nfs/dbraw/zinc/00/88/59/1100008859.db2.gz IFZDAYMDTGJLBR-QGZVFWFLSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237160263 1100008862 /nfs/dbraw/zinc/00/88/62/1100008862.db2.gz IFZDAYMDTGJLBR-QGZVFWFLSA-N 2 2 301.409 3.414 20 0 DGADLP Cc1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc(F)c1F ZINC001237166430 1100013647 /nfs/dbraw/zinc/01/36/47/1100013647.db2.gz LPQVEIIHIDVYKO-HNNXBMFYSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc(F)c1F ZINC001237166430 1100013651 /nfs/dbraw/zinc/01/36/51/1100013651.db2.gz LPQVEIIHIDVYKO-HNNXBMFYSA-N 2 2 304.340 3.322 20 0 DGADLP c1ccc(OCC[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237304392 1100070537 /nfs/dbraw/zinc/07/05/37/1100070537.db2.gz HXTRGLKGTCBXIE-UHFFFAOYSA-N 2 2 308.425 3.160 20 0 DGADLP c1ccc(OCC[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237304392 1100070545 /nfs/dbraw/zinc/07/05/45/1100070545.db2.gz HXTRGLKGTCBXIE-UHFFFAOYSA-N 2 2 308.425 3.160 20 0 DGADLP c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)NCC3)C21CC[NH2+]CC1 ZINC001237310314 1100072867 /nfs/dbraw/zinc/07/28/67/1100072867.db2.gz HIMFGWIFDISLBJ-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)NCC3)C21CC[NH2+]CC1 ZINC001237310314 1100072880 /nfs/dbraw/zinc/07/28/80/1100072880.db2.gz HIMFGWIFDISLBJ-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC001237374133 1100098052 /nfs/dbraw/zinc/09/80/52/1100098052.db2.gz BZYPWHPKTKBMRB-UHFFFAOYSA-N 2 2 320.436 3.216 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC001237376127 1100099618 /nfs/dbraw/zinc/09/96/18/1100099618.db2.gz PQMKQGAGLBOUIA-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP COc1c(C)cccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001237503642 1100149927 /nfs/dbraw/zinc/14/99/27/1100149927.db2.gz DSMKGOBFNCBGPS-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1Oc1cnccn1 ZINC001238023966 1100332135 /nfs/dbraw/zinc/33/21/35/1100332135.db2.gz PYFQVPHMDMDCFL-UHFFFAOYSA-N 2 2 314.433 3.043 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1Oc1cnccn1 ZINC001238023966 1100332145 /nfs/dbraw/zinc/33/21/45/1100332145.db2.gz PYFQVPHMDMDCFL-UHFFFAOYSA-N 2 2 314.433 3.043 20 0 DGADLP FC(F)(F)c1n[nH]c2c1CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238105094 1100361295 /nfs/dbraw/zinc/36/12/95/1100361295.db2.gz CJIRWYRVRYZYPV-AWEZNQCLSA-N 2 2 321.306 3.191 20 0 DGADLP FC(F)(F)c1n[nH]c2c1CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238105094 1100361302 /nfs/dbraw/zinc/36/13/02/1100361302.db2.gz CJIRWYRVRYZYPV-AWEZNQCLSA-N 2 2 321.306 3.191 20 0 DGADLP Cc1ccc(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)cc1C ZINC001238103701 1100363081 /nfs/dbraw/zinc/36/30/81/1100363081.db2.gz OSHAIDFONQNOSA-UHFFFAOYSA-N 2 2 320.440 3.273 20 0 DGADLP COc1c(Cl)ccc(F)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238346508 1100421209 /nfs/dbraw/zinc/42/12/09/1100421209.db2.gz OVMGWTFWIOLPHW-UHFFFAOYSA-N 2 2 312.816 3.015 20 0 DGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001238480811 1100455292 /nfs/dbraw/zinc/45/52/92/1100455292.db2.gz PDLCZXDRTKLNHL-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001238480811 1100455294 /nfs/dbraw/zinc/45/52/94/1100455294.db2.gz PDLCZXDRTKLNHL-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP CCCCOc1ncc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1C ZINC001238487918 1100456711 /nfs/dbraw/zinc/45/67/11/1100456711.db2.gz CPFRNDBVXMJNCR-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP CCCCOc1ncc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1C ZINC001238487918 1100456717 /nfs/dbraw/zinc/45/67/17/1100456717.db2.gz CPFRNDBVXMJNCR-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449967 1100460054 /nfs/dbraw/zinc/46/00/54/1100460054.db2.gz KSUNURCLAVULDJ-DYVFJYSZSA-N 2 2 317.477 3.199 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449967 1100460057 /nfs/dbraw/zinc/46/00/57/1100460057.db2.gz KSUNURCLAVULDJ-DYVFJYSZSA-N 2 2 317.477 3.199 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(F)c(Cl)c1 ZINC001192928276 1100682289 /nfs/dbraw/zinc/68/22/89/1100682289.db2.gz ISEKRFLGXODYIF-UHFFFAOYSA-N 2 2 311.788 3.077 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(F)c(Cl)c1 ZINC001192928276 1100682293 /nfs/dbraw/zinc/68/22/93/1100682293.db2.gz ISEKRFLGXODYIF-UHFFFAOYSA-N 2 2 311.788 3.077 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001193092741 1100709712 /nfs/dbraw/zinc/70/97/12/1100709712.db2.gz HDXNHQHXRNJHJC-GOSISDBHSA-N 2 2 318.505 3.237 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001193092741 1100709714 /nfs/dbraw/zinc/70/97/14/1100709714.db2.gz HDXNHQHXRNJHJC-GOSISDBHSA-N 2 2 318.505 3.237 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccnc3ccccc32)C1 ZINC001239853562 1100776719 /nfs/dbraw/zinc/77/67/19/1100776719.db2.gz UNIZSVJKJUZFFA-MRXNPFEDSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnc3ccccc32)C1 ZINC001239853562 1100776721 /nfs/dbraw/zinc/77/67/21/1100776721.db2.gz UNIZSVJKJUZFFA-MRXNPFEDSA-N 2 2 303.409 3.435 20 0 DGADLP CC(C)(O)c1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001240409531 1100983913 /nfs/dbraw/zinc/98/39/13/1100983913.db2.gz DRPKHJPZBVBOJI-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001240409531 1100983918 /nfs/dbraw/zinc/98/39/18/1100983918.db2.gz DRPKHJPZBVBOJI-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccn3cc[nH+]c3c2)CC1 ZINC001240512924 1101029214 /nfs/dbraw/zinc/02/92/14/1101029214.db2.gz CIIHOOFCWWSORE-UHFFFAOYSA-N 3 2 320.440 3.172 20 0 DGADLP CC(C)OC(=O)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001195603821 1101159411 /nfs/dbraw/zinc/15/94/11/1101159411.db2.gz DBVKLZZSXQQIPN-IRXDYDNUSA-N 2 2 312.498 3.205 20 0 DGADLP CC(C)OC(=O)C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001195603821 1101159415 /nfs/dbraw/zinc/15/94/15/1101159415.db2.gz DBVKLZZSXQQIPN-IRXDYDNUSA-N 2 2 312.498 3.205 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3Cl)CCC1(F)F ZINC001205772174 1101287933 /nfs/dbraw/zinc/28/79/33/1101287933.db2.gz YWVFIVVBXCFHSS-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3Cl)CCC1(F)F ZINC001205772174 1101287937 /nfs/dbraw/zinc/28/79/37/1101287937.db2.gz YWVFIVVBXCFHSS-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP CCOc1cccc(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241253697 1101325838 /nfs/dbraw/zinc/32/58/38/1101325838.db2.gz RCHWZTGKTUKDBR-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cccc(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241253697 1101325854 /nfs/dbraw/zinc/32/58/54/1101325854.db2.gz RCHWZTGKTUKDBR-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4ncccc4c3)c2)C1 ZINC001241401694 1101433551 /nfs/dbraw/zinc/43/35/51/1101433551.db2.gz ZOVFTEBKRSENIV-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4ncccc4c3)c2)C1 ZINC001241401694 1101433556 /nfs/dbraw/zinc/43/35/56/1101433556.db2.gz ZOVFTEBKRSENIV-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP COc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1Cl ZINC001241732404 1101665813 /nfs/dbraw/zinc/66/58/13/1101665813.db2.gz BYSLFGJCQDUMCS-UHFFFAOYSA-N 2 2 313.788 3.350 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC001197929173 1101702105 /nfs/dbraw/zinc/70/21/05/1101702105.db2.gz DSRBFBANLAUPPC-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc(O)ccc1Cl ZINC001197929173 1101702116 /nfs/dbraw/zinc/70/21/16/1101702116.db2.gz DSRBFBANLAUPPC-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(c2)CCCN3)C1 ZINC001241837598 1101740588 /nfs/dbraw/zinc/74/05/88/1101740588.db2.gz XHZFPOGAKOFILF-SFHVURJKSA-N 2 2 307.441 3.245 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(c2)CCCN3)C1 ZINC001241837598 1101740591 /nfs/dbraw/zinc/74/05/91/1101740591.db2.gz XHZFPOGAKOFILF-SFHVURJKSA-N 2 2 307.441 3.245 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829720 1101783340 /nfs/dbraw/zinc/78/33/40/1101783340.db2.gz PMGFTHVETOAWHV-FZMZJTMJSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829720 1101783349 /nfs/dbraw/zinc/78/33/49/1101783349.db2.gz PMGFTHVETOAWHV-FZMZJTMJSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc2[nH]ccc2c(-c2ccccc2C[NH+]2CCOCC2)[nH+]1 ZINC001241983919 1101828153 /nfs/dbraw/zinc/82/81/53/1101828153.db2.gz LDDMCGXDBXAEMN-UHFFFAOYSA-N 2 2 307.397 3.371 20 0 DGADLP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CN3CCSC3=[NH+]2)cc1 ZINC001242089555 1101903981 /nfs/dbraw/zinc/90/39/81/1101903981.db2.gz DCTFUANCPNMPKG-OAHLLOKOSA-N 2 2 310.426 3.099 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4cnccc4c3)c2)C1 ZINC001242246865 1102006612 /nfs/dbraw/zinc/00/66/12/1102006612.db2.gz LDQPCHNVSQEIIB-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4cnccc4c3)c2)C1 ZINC001242246865 1102006627 /nfs/dbraw/zinc/00/66/27/1102006627.db2.gz LDQPCHNVSQEIIB-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc2[nH]ncc2cc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001242285545 1102029864 /nfs/dbraw/zinc/02/98/64/1102029864.db2.gz ULWVOTXEOZUIKW-UHFFFAOYSA-N 2 2 320.440 3.461 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1Br ZINC001199842930 1102223047 /nfs/dbraw/zinc/22/30/47/1102223047.db2.gz JHPCVNNJCDYXIU-UHFFFAOYSA-N 2 2 320.234 3.200 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(C3=CC[C@H]([NH+]4CCCC4)CC3)ccn12 ZINC001242696403 1102290416 /nfs/dbraw/zinc/29/04/16/1102290416.db2.gz VKIITWNKWLHZCZ-SFHVURJKSA-N 3 2 322.456 3.053 20 0 DGADLP CCc1cc(OC)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242699506 1102291838 /nfs/dbraw/zinc/29/18/38/1102291838.db2.gz DHPBNPLGLYKEKH-QGZVFWFLSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(OC)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242699506 1102291848 /nfs/dbraw/zinc/29/18/48/1102291848.db2.gz DHPBNPLGLYKEKH-QGZVFWFLSA-N 2 2 310.441 3.458 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC001205902268 1102437315 /nfs/dbraw/zinc/43/73/15/1102437315.db2.gz JJWBCZFBKUWZPL-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Br ZINC001205902268 1102437321 /nfs/dbraw/zinc/43/73/21/1102437321.db2.gz JJWBCZFBKUWZPL-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[NH2+]Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001242998306 1102464661 /nfs/dbraw/zinc/46/46/61/1102464661.db2.gz OGRNLQFFTGLLTH-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP C[C@H]([NH3+])c1ccccc1-c1cc(F)ccc1C[NH+]1CCOCC1 ZINC001243102296 1102526489 /nfs/dbraw/zinc/52/64/89/1102526489.db2.gz ZZMMSNSDOGJHAP-AWEZNQCLSA-N 2 2 314.404 3.345 20 0 DGADLP CSc1ncc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1C ZINC001243159342 1102562234 /nfs/dbraw/zinc/56/22/34/1102562234.db2.gz YLYZHSWWACHBQC-KRWDZBQOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1C ZINC001243159342 1102562241 /nfs/dbraw/zinc/56/22/41/1102562241.db2.gz YLYZHSWWACHBQC-KRWDZBQOSA-N 2 2 313.470 3.312 20 0 DGADLP C(=C/C1CC[NH2+]CC1)\c1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001243894875 1103035523 /nfs/dbraw/zinc/03/55/23/1103035523.db2.gz KYJKKBUSBJBIKO-AATRIKPKSA-N 2 2 323.440 3.084 20 0 DGADLP Cc1[nH+]cn([C@H](C)Cc2ccc(Br)cc2)c1CC[NH3+] ZINC001257554751 1103065568 /nfs/dbraw/zinc/06/55/68/1103065568.db2.gz BQEFVMHJNCLEET-LLVKDONJSA-N 2 2 322.250 3.259 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)sc2C1 ZINC001325624844 1103085348 /nfs/dbraw/zinc/08/53/48/1103085348.db2.gz GIZXPAQJMUPVDK-OLZOCXBDSA-N 2 2 305.491 3.032 20 0 DGADLP Cc1nc2ccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc2o1 ZINC001243965339 1103089451 /nfs/dbraw/zinc/08/94/51/1103089451.db2.gz VRMPHBSNMDLOSA-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1nc2ccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc2o1 ZINC001243965339 1103089464 /nfs/dbraw/zinc/08/94/64/1103089464.db2.gz VRMPHBSNMDLOSA-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC001325744801 1103114137 /nfs/dbraw/zinc/11/41/37/1103114137.db2.gz VKNCILXNYGZOAV-BXUZGUMPSA-N 2 2 323.234 3.090 20 0 DGADLP C[C@H](CC1CC1)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001258450785 1103341418 /nfs/dbraw/zinc/34/14/18/1103341418.db2.gz WMFHTYQIWYFBRI-GFCCVEGCSA-N 2 2 313.536 3.216 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4[nH]c(=O)ccc43)c2)C1 ZINC001244320592 1103358132 /nfs/dbraw/zinc/35/81/32/1103358132.db2.gz TZKGXOMOGYBCLQ-INIZCTEOSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4[nH]c(=O)ccc43)c2)C1 ZINC001244320592 1103358140 /nfs/dbraw/zinc/35/81/40/1103358140.db2.gz TZKGXOMOGYBCLQ-INIZCTEOSA-N 2 2 319.408 3.140 20 0 DGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc(O)c1F ZINC001244525271 1103495735 /nfs/dbraw/zinc/49/57/35/1103495735.db2.gz NQZHCZOYVNVCRW-MRXNPFEDSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc(O)c1F ZINC001244525271 1103495741 /nfs/dbraw/zinc/49/57/41/1103495741.db2.gz NQZHCZOYVNVCRW-MRXNPFEDSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc(O)c1F ZINC001244524292 1103496526 /nfs/dbraw/zinc/49/65/26/1103496526.db2.gz AARLEUSXFWIWLO-INIZCTEOSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc(O)c1F ZINC001244524292 1103496532 /nfs/dbraw/zinc/49/65/32/1103496532.db2.gz AARLEUSXFWIWLO-INIZCTEOSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244586061 1103542008 /nfs/dbraw/zinc/54/20/08/1103542008.db2.gz LQLDHGZLUZVNNO-AWEZNQCLSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244586061 1103542015 /nfs/dbraw/zinc/54/20/15/1103542015.db2.gz LQLDHGZLUZVNNO-AWEZNQCLSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)[nH+]c2ccccc12 ZINC001327744030 1103720645 /nfs/dbraw/zinc/72/06/45/1103720645.db2.gz VCHRJAPOBSAZKQ-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001206564513 1103814043 /nfs/dbraw/zinc/81/40/43/1103814043.db2.gz PTCVIYTWCZQXDW-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001206564513 1103814055 /nfs/dbraw/zinc/81/40/55/1103814055.db2.gz PTCVIYTWCZQXDW-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cc(Cl)cc(CO)c2)C1 ZINC001245093927 1103858420 /nfs/dbraw/zinc/85/84/20/1103858420.db2.gz NIHPPJHQHVUQKQ-QGZVFWFLSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cc(Cl)cc(CO)c2)C1 ZINC001245093927 1103858431 /nfs/dbraw/zinc/85/84/31/1103858431.db2.gz NIHPPJHQHVUQKQ-QGZVFWFLSA-N 2 2 316.832 3.032 20 0 DGADLP CCCOc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001245230694 1103921232 /nfs/dbraw/zinc/92/12/32/1103921232.db2.gz JVNPDEJRHDIRNZ-GOSISDBHSA-N 2 2 311.429 3.070 20 0 DGADLP CCCOc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001245230694 1103921239 /nfs/dbraw/zinc/92/12/39/1103921239.db2.gz JVNPDEJRHDIRNZ-GOSISDBHSA-N 2 2 311.429 3.070 20 0 DGADLP c1cc([C@@H]2CCC[NH2+]2)ccc1-c1cncc(C[NH+]2CCOCC2)c1 ZINC001245251902 1103939669 /nfs/dbraw/zinc/93/96/69/1103939669.db2.gz WOMBFTJVPSBGCI-FQEVSTJZSA-N 2 2 323.440 3.005 20 0 DGADLP Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c[nH+]c1N1CCOCC1 ZINC001245351620 1103998678 /nfs/dbraw/zinc/99/86/78/1103998678.db2.gz UYNIZUJONMVHNL-IBGZPJMESA-N 2 2 323.440 3.318 20 0 DGADLP Cc1cccc2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)[nH]nc21 ZINC001137151900 1104015971 /nfs/dbraw/zinc/01/59/71/1104015971.db2.gz CUKZITHBXNZESY-OAHLLOKOSA-N 2 2 322.412 3.228 20 0 DGADLP Cc1cccc2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)[nH]nc21 ZINC001137151900 1104015982 /nfs/dbraw/zinc/01/59/82/1104015982.db2.gz CUKZITHBXNZESY-OAHLLOKOSA-N 2 2 322.412 3.228 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3cc(C)cs3)CC2)CC1 ZINC001137160062 1104024648 /nfs/dbraw/zinc/02/46/48/1104024648.db2.gz PPUOKJUGEGYXBC-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1cc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001245545273 1104115746 /nfs/dbraw/zinc/11/57/46/1104115746.db2.gz QFXYHYPUEWDLPP-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1cc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001245545273 1104115748 /nfs/dbraw/zinc/11/57/48/1104115748.db2.gz QFXYHYPUEWDLPP-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Fc1ccc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)[nH]c2c1 ZINC001245588866 1104138944 /nfs/dbraw/zinc/13/89/44/1104138944.db2.gz PMTFZDNSSYNESV-UHFFFAOYSA-N 2 2 306.344 3.309 20 0 DGADLP CCc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1OC ZINC001245793666 1104240916 /nfs/dbraw/zinc/24/09/16/1104240916.db2.gz WXNZUEHROCCLQY-LJQANCHMSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1OC ZINC001245793666 1104240927 /nfs/dbraw/zinc/24/09/27/1104240927.db2.gz WXNZUEHROCCLQY-LJQANCHMSA-N 2 2 310.441 3.458 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245909628 1104303380 /nfs/dbraw/zinc/30/33/80/1104303380.db2.gz UMVKMYXTXGCUOY-SFHVURJKSA-N 3 2 309.457 3.080 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245909628 1104303389 /nfs/dbraw/zinc/30/33/89/1104303389.db2.gz UMVKMYXTXGCUOY-SFHVURJKSA-N 3 2 309.457 3.080 20 0 DGADLP CCCC[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001246004956 1104351091 /nfs/dbraw/zinc/35/10/91/1104351091.db2.gz LKFAWNYDIXJSJT-CQSZACIVSA-N 2 2 310.869 3.059 20 0 DGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246114478 1104391537 /nfs/dbraw/zinc/39/15/37/1104391537.db2.gz PEJNDSOZHOEYSZ-BBRMVZONSA-N 2 2 314.445 3.378 20 0 DGADLP COC(=O)c1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246171941 1104419475 /nfs/dbraw/zinc/41/94/75/1104419475.db2.gz UOFOZQDASQBICT-INIZCTEOSA-N 2 2 316.445 3.018 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cc(C(F)(F)F)ccc2F)C[C@@H](C)[NH2+]1 ZINC001246195265 1104432603 /nfs/dbraw/zinc/43/26/03/1104432603.db2.gz LQYODONIECOBSA-NXEZZACHSA-N 2 2 304.331 3.463 20 0 DGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246204307 1104437569 /nfs/dbraw/zinc/43/75/69/1104437569.db2.gz DWQDMXNQCSQUGE-BYCMXARLSA-N 2 2 317.235 3.140 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246226760 1104447367 /nfs/dbraw/zinc/44/73/67/1104447367.db2.gz UBJLGZZFMDMFFJ-OLZOCXBDSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3OC(F)(F)F)C[NH2+]1 ZINC001246260283 1104464022 /nfs/dbraw/zinc/46/40/22/1104464022.db2.gz QXOXWZGSOSITFY-SUNKGSAMSA-N 2 2 314.351 3.303 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCCCC3)C1)CO2 ZINC001246277484 1104470491 /nfs/dbraw/zinc/47/04/91/1104470491.db2.gz HTFWCGGYDLQNLJ-HOCLYGCPSA-N 2 2 304.409 3.304 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001246279181 1104470885 /nfs/dbraw/zinc/47/08/85/1104470885.db2.gz KVPXWLLGIIDINX-IAGOWNOFSA-N 2 2 312.413 3.026 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246331948 1104494112 /nfs/dbraw/zinc/49/41/12/1104494112.db2.gz CMXYZDMQNKTDEH-MISYRCLQSA-N 3 2 317.521 3.394 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246331948 1104494115 /nfs/dbraw/zinc/49/41/15/1104494115.db2.gz CMXYZDMQNKTDEH-MISYRCLQSA-N 3 2 317.521 3.394 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246332604 1104496046 /nfs/dbraw/zinc/49/60/46/1104496046.db2.gz FYODGDUDNOCBBP-QRQLOZEOSA-N 3 2 317.521 3.250 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246332604 1104496050 /nfs/dbraw/zinc/49/60/50/1104496050.db2.gz FYODGDUDNOCBBP-QRQLOZEOSA-N 3 2 317.521 3.250 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336812 1104497602 /nfs/dbraw/zinc/49/76/02/1104497602.db2.gz QDBQTEITARJMPZ-IJXRJRJASA-N 3 2 317.521 3.393 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336812 1104497608 /nfs/dbraw/zinc/49/76/08/1104497608.db2.gz QDBQTEITARJMPZ-IJXRJRJASA-N 3 2 317.521 3.393 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCCCOCc1ccccc1)C2 ZINC001274884329 1104534198 /nfs/dbraw/zinc/53/41/98/1104534198.db2.gz FJBZVOCTPLDLTD-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCCCOCc1ccccc1)C2 ZINC001274884329 1104534203 /nfs/dbraw/zinc/53/42/03/1104534203.db2.gz FJBZVOCTPLDLTD-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCOCc1ccccc1)C2 ZINC001274884329 1104534206 /nfs/dbraw/zinc/53/42/06/1104534206.db2.gz FJBZVOCTPLDLTD-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCOCc1ccccc1)C2 ZINC001274884329 1104534212 /nfs/dbraw/zinc/53/42/12/1104534212.db2.gz FJBZVOCTPLDLTD-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP Fc1ccc([C@H](CC2CCOCC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246462181 1104549774 /nfs/dbraw/zinc/54/97/74/1104549774.db2.gz YKJBVXOQPQVDGF-ROUUACIJSA-N 2 2 306.425 3.025 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508846 1104569885 /nfs/dbraw/zinc/56/98/85/1104569885.db2.gz FIXSGKQPXBZJLY-AZUAARDMSA-N 2 2 310.441 3.151 20 0 DGADLP CCCC[C@@H](CCC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246524566 1104578436 /nfs/dbraw/zinc/57/84/36/1104578436.db2.gz JYANSSOYOJIUNA-SJORKVTESA-N 2 2 306.450 3.422 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528004 1104579985 /nfs/dbraw/zinc/57/99/85/1104579985.db2.gz NFOUYYJTGFGOJF-IYWMVGAKSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528004 1104579992 /nfs/dbraw/zinc/57/99/92/1104579992.db2.gz NFOUYYJTGFGOJF-IYWMVGAKSA-N 2 2 315.505 3.284 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001275040578 1104586108 /nfs/dbraw/zinc/58/61/08/1104586108.db2.gz NUEWCDVREVBUAK-HKUYNNGSSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001275040578 1104586116 /nfs/dbraw/zinc/58/61/16/1104586116.db2.gz NUEWCDVREVBUAK-HKUYNNGSSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC=CCC1)C2 ZINC001275040578 1104586122 /nfs/dbraw/zinc/58/61/22/1104586122.db2.gz NUEWCDVREVBUAK-HKUYNNGSSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC=CCC1)C2 ZINC001275040578 1104586130 /nfs/dbraw/zinc/58/61/30/1104586130.db2.gz NUEWCDVREVBUAK-HKUYNNGSSA-N 2 2 314.477 3.054 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575310 1104601467 /nfs/dbraw/zinc/60/14/67/1104601467.db2.gz WOQPPAZOFCOJTR-RISCZKNCSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575310 1104601472 /nfs/dbraw/zinc/60/14/72/1104601472.db2.gz WOQPPAZOFCOJTR-RISCZKNCSA-N 2 2 313.272 3.392 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246574245 1104601880 /nfs/dbraw/zinc/60/18/80/1104601880.db2.gz FVZOSBGCIQFVSE-MAUKXSAKSA-N 2 2 308.441 3.169 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246574245 1104601883 /nfs/dbraw/zinc/60/18/83/1104601883.db2.gz FVZOSBGCIQFVSE-MAUKXSAKSA-N 2 2 308.441 3.169 20 0 DGADLP C[C@]1(F)CC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246586576 1104605990 /nfs/dbraw/zinc/60/59/90/1104605990.db2.gz BXJUJJUALRUCDJ-TVFCKZIOSA-N 2 2 308.416 3.122 20 0 DGADLP C[C@]1(F)CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1F ZINC001246586576 1104606000 /nfs/dbraw/zinc/60/60/00/1104606000.db2.gz BXJUJJUALRUCDJ-TVFCKZIOSA-N 2 2 308.416 3.122 20 0 DGADLP CCC[C@@H](C)C[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275071885 1104607508 /nfs/dbraw/zinc/60/75/08/1104607508.db2.gz CNURGCFXEYAQKX-QRVBRYPASA-N 3 2 318.509 3.344 20 0 DGADLP CC(C)[N@H+]([C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589890 1104608006 /nfs/dbraw/zinc/60/80/06/1104608006.db2.gz GDVKZOLBTXMJQV-VAMGGRTRSA-N 3 2 315.505 3.332 20 0 DGADLP CC(C)[N@@H+]([C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589890 1104608012 /nfs/dbraw/zinc/60/80/12/1104608012.db2.gz GDVKZOLBTXMJQV-VAMGGRTRSA-N 3 2 315.505 3.332 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074308 1104609798 /nfs/dbraw/zinc/60/97/98/1104609798.db2.gz QKBVXZLUWJBQFJ-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074308 1104609804 /nfs/dbraw/zinc/60/98/04/1104609804.db2.gz QKBVXZLUWJBQFJ-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074308 1104609810 /nfs/dbraw/zinc/60/98/10/1104609810.db2.gz QKBVXZLUWJBQFJ-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074308 1104609815 /nfs/dbraw/zinc/60/98/15/1104609815.db2.gz QKBVXZLUWJBQFJ-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246596124 1104614851 /nfs/dbraw/zinc/61/48/51/1104614851.db2.gz OXNBSPJRTUZUNE-UHFFFAOYSA-N 3 2 321.553 3.497 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246606253 1104622555 /nfs/dbraw/zinc/62/25/55/1104622555.db2.gz DJGXDZOPYOWIRK-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246606253 1104622559 /nfs/dbraw/zinc/62/25/59/1104622559.db2.gz DJGXDZOPYOWIRK-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637472 1104640830 /nfs/dbraw/zinc/64/08/30/1104640830.db2.gz ZAHWKZVJVVPXEN-AEFFLSMTSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637472 1104640834 /nfs/dbraw/zinc/64/08/34/1104640834.db2.gz ZAHWKZVJVVPXEN-AEFFLSMTSA-N 2 2 320.864 3.252 20 0 DGADLP c1ccc([C@H]2C[C@H]([N@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647692 1104645614 /nfs/dbraw/zinc/64/56/14/1104645614.db2.gz MLNXBIGTRXLEGV-RTBURBONSA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@H]2C[C@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647692 1104645618 /nfs/dbraw/zinc/64/56/18/1104645618.db2.gz MLNXBIGTRXLEGV-RTBURBONSA-N 3 2 313.489 3.088 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650461 1104647276 /nfs/dbraw/zinc/64/72/76/1104647276.db2.gz IJGKQKGSMXTGQT-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650461 1104647277 /nfs/dbraw/zinc/64/72/77/1104647277.db2.gz IJGKQKGSMXTGQT-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246657224 1104651437 /nfs/dbraw/zinc/65/14/37/1104651437.db2.gz GPCVSCNDSNQIMC-XPKDYRNWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246657224 1104651440 /nfs/dbraw/zinc/65/14/40/1104651440.db2.gz GPCVSCNDSNQIMC-XPKDYRNWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661452 1104652835 /nfs/dbraw/zinc/65/28/35/1104652835.db2.gz XLUNZVVQYLATMQ-BJJXKVORSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661452 1104652842 /nfs/dbraw/zinc/65/28/42/1104652842.db2.gz XLUNZVVQYLATMQ-BJJXKVORSA-N 2 2 312.379 3.320 20 0 DGADLP Fc1cccc2c1CC[C@@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246663930 1104654746 /nfs/dbraw/zinc/65/47/46/1104654746.db2.gz NPPYUHFAEPSOOM-LKUPVBHCSA-N 2 2 322.427 3.254 20 0 DGADLP Fc1cccc2c1CC[C@@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246663930 1104654751 /nfs/dbraw/zinc/65/47/51/1104654751.db2.gz NPPYUHFAEPSOOM-LKUPVBHCSA-N 2 2 322.427 3.254 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246668366 1104656170 /nfs/dbraw/zinc/65/61/70/1104656170.db2.gz XSNSCXQRVATMDJ-MAZHCROVSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246668366 1104656180 /nfs/dbraw/zinc/65/61/80/1104656180.db2.gz XSNSCXQRVATMDJ-MAZHCROVSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787756 1104675381 /nfs/dbraw/zinc/67/53/81/1104675381.db2.gz MRHTVZASLLQZKP-ZWKOTPCHSA-N 2 2 322.880 3.463 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787756 1104675383 /nfs/dbraw/zinc/67/53/83/1104675383.db2.gz MRHTVZASLLQZKP-ZWKOTPCHSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794459 1104679033 /nfs/dbraw/zinc/67/90/33/1104679033.db2.gz ZUFTVRYUFOTSQM-ZDUSSCGKSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794459 1104679036 /nfs/dbraw/zinc/67/90/36/1104679036.db2.gz ZUFTVRYUFOTSQM-ZDUSSCGKSA-N 2 2 323.278 3.066 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCO[C@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246798742 1104680812 /nfs/dbraw/zinc/68/08/12/1104680812.db2.gz RGIRVAJVOPNWHP-LMMKCTJWSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCO[C@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246798742 1104680817 /nfs/dbraw/zinc/68/08/17/1104680817.db2.gz RGIRVAJVOPNWHP-LMMKCTJWSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246798343 1104681247 /nfs/dbraw/zinc/68/12/47/1104681247.db2.gz SFLRDUZSKBWGBL-BFYDXBDKSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246798343 1104681250 /nfs/dbraw/zinc/68/12/50/1104681250.db2.gz SFLRDUZSKBWGBL-BFYDXBDKSA-N 2 2 324.509 3.492 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815330 1104688713 /nfs/dbraw/zinc/68/87/13/1104688713.db2.gz XYYLGVBKYBTSEK-JQWIXIFHSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815330 1104688715 /nfs/dbraw/zinc/68/87/15/1104688715.db2.gz XYYLGVBKYBTSEK-JQWIXIFHSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815333 1104688923 /nfs/dbraw/zinc/68/89/23/1104688923.db2.gz XYYLGVBKYBTSEK-ZYHUDNBSSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815333 1104688927 /nfs/dbraw/zinc/68/89/27/1104688927.db2.gz XYYLGVBKYBTSEK-ZYHUDNBSSA-N 2 2 315.230 3.161 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(OC)c1 ZINC001275256936 1104695889 /nfs/dbraw/zinc/69/58/89/1104695889.db2.gz ATNIDPQYVBVYAM-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(OC)c1 ZINC001275256936 1104695892 /nfs/dbraw/zinc/69/58/92/1104695892.db2.gz ATNIDPQYVBVYAM-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(OC)c1 ZINC001275256936 1104695894 /nfs/dbraw/zinc/69/58/94/1104695894.db2.gz ATNIDPQYVBVYAM-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(OC)c1 ZINC001275256936 1104695899 /nfs/dbraw/zinc/69/58/99/1104695899.db2.gz ATNIDPQYVBVYAM-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CC1(C)OC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246838309 1104699357 /nfs/dbraw/zinc/69/93/57/1104699357.db2.gz GXALULBJFIFXMK-INIZCTEOSA-N 2 2 314.473 3.385 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246839750 1104700232 /nfs/dbraw/zinc/70/02/32/1104700232.db2.gz KDBTVUQEMGBOSU-WFASDCNBSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246839750 1104700239 /nfs/dbraw/zinc/70/02/39/1104700239.db2.gz KDBTVUQEMGBOSU-WFASDCNBSA-N 2 2 311.267 3.412 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866156 1104713453 /nfs/dbraw/zinc/71/34/53/1104713453.db2.gz ARFSKDNYFVHBNE-AABGKKOBSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866156 1104713459 /nfs/dbraw/zinc/71/34/59/1104713459.db2.gz ARFSKDNYFVHBNE-AABGKKOBSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CCC(Cc3ccc(F)cc3F)CC2)C[NH2+]1 ZINC001246869926 1104714085 /nfs/dbraw/zinc/71/40/85/1104714085.db2.gz JECGERJGLLYRNO-DYVFJYSZSA-N 2 2 308.416 3.360 20 0 DGADLP COc1cccc(C[N@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1OC ZINC001246871677 1104715722 /nfs/dbraw/zinc/71/57/22/1104715722.db2.gz OAHRTITWMQSWIJ-RDJZCZTQSA-N 2 2 320.477 3.302 20 0 DGADLP COc1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1OC ZINC001246871677 1104715730 /nfs/dbraw/zinc/71/57/30/1104715730.db2.gz OAHRTITWMQSWIJ-RDJZCZTQSA-N 2 2 320.477 3.302 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246872929 1104715847 /nfs/dbraw/zinc/71/58/47/1104715847.db2.gz RNLMGTGJVMFZGR-YRPNKDGESA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246872929 1104715853 /nfs/dbraw/zinc/71/58/53/1104715853.db2.gz RNLMGTGJVMFZGR-YRPNKDGESA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@H]1CC([N@@H+]2CCOC[C@H]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246913328 1104735877 /nfs/dbraw/zinc/73/58/77/1104735877.db2.gz IIGNJOFIGVGCSM-CMKODMSKSA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@H]1CC([N@H+]2CCOC[C@H]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246913328 1104735880 /nfs/dbraw/zinc/73/58/80/1104735880.db2.gz IIGNJOFIGVGCSM-CMKODMSKSA-N 2 2 316.489 3.239 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920099 1104737995 /nfs/dbraw/zinc/73/79/95/1104737995.db2.gz JEWSCXJOBVTHSM-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246920099 1104737998 /nfs/dbraw/zinc/73/79/98/1104737998.db2.gz JEWSCXJOBVTHSM-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948183 1104749033 /nfs/dbraw/zinc/74/90/33/1104749033.db2.gz IPMNRULFJCORBA-WBVHZDCISA-N 2 2 310.482 3.105 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948183 1104749038 /nfs/dbraw/zinc/74/90/38/1104749038.db2.gz IPMNRULFJCORBA-WBVHZDCISA-N 2 2 310.482 3.105 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246949698 1104749473 /nfs/dbraw/zinc/74/94/73/1104749473.db2.gz PPAFMADXEUKJAB-HIFRSBDPSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246949698 1104749477 /nfs/dbraw/zinc/74/94/77/1104749477.db2.gz PPAFMADXEUKJAB-HIFRSBDPSA-N 2 2 314.351 3.474 20 0 DGADLP CC(C)[C@H]1C[C@H]([N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974865 1104758413 /nfs/dbraw/zinc/75/84/13/1104758413.db2.gz KILPMUXSIIPCKX-JCHJZTRSSA-N 2 2 302.462 3.225 20 0 DGADLP CC(C)[C@H]1C[C@H]([N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974865 1104758421 /nfs/dbraw/zinc/75/84/21/1104758421.db2.gz KILPMUXSIIPCKX-JCHJZTRSSA-N 2 2 302.462 3.225 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975967 1104758719 /nfs/dbraw/zinc/75/87/19/1104758719.db2.gz DQTNTVSKLJPVDR-NVXWUHKLSA-N 2 2 310.482 3.105 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975967 1104758726 /nfs/dbraw/zinc/75/87/26/1104758726.db2.gz DQTNTVSKLJPVDR-NVXWUHKLSA-N 2 2 310.482 3.105 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246995338 1104768681 /nfs/dbraw/zinc/76/86/81/1104768681.db2.gz UGNJDZYNSDXJFU-MSOLQXFVSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246995338 1104768685 /nfs/dbraw/zinc/76/86/85/1104768685.db2.gz UGNJDZYNSDXJFU-MSOLQXFVSA-N 2 2 324.424 3.340 20 0 DGADLP Fc1cccc2c1CC[C@@]21CCC[N@@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC001247000346 1104771312 /nfs/dbraw/zinc/77/13/12/1104771312.db2.gz WAPABRKOYCJEGI-DNVCBOLYSA-N 2 2 302.437 3.248 20 0 DGADLP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 ZINC001247000346 1104771317 /nfs/dbraw/zinc/77/13/17/1104771317.db2.gz WAPABRKOYCJEGI-DNVCBOLYSA-N 2 2 302.437 3.248 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001247001435 1104771358 /nfs/dbraw/zinc/77/13/58/1104771358.db2.gz IPNSPWYXRLMQQB-SCRDCRAPSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001247001435 1104771364 /nfs/dbraw/zinc/77/13/64/1104771364.db2.gz IPNSPWYXRLMQQB-SCRDCRAPSA-N 2 2 323.278 3.336 20 0 DGADLP c1cc(N2CCCC2)cc2[nH+]c(-c3ccc4c(c3)C[NH2+]CC4)[nH]c12 ZINC001247015383 1104777806 /nfs/dbraw/zinc/77/78/06/1104777806.db2.gz QGOKDXDTAHHGEJ-UHFFFAOYSA-N 2 2 318.424 3.476 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687993 1104863530 /nfs/dbraw/zinc/86/35/30/1104863530.db2.gz KFAKSHWULSIUBA-QGZVFWFLSA-N 2 2 318.852 3.086 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687993 1104863534 /nfs/dbraw/zinc/86/35/34/1104863534.db2.gz KFAKSHWULSIUBA-QGZVFWFLSA-N 2 2 318.852 3.086 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687993 1104863540 /nfs/dbraw/zinc/86/35/40/1104863540.db2.gz KFAKSHWULSIUBA-QGZVFWFLSA-N 2 2 318.852 3.086 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687993 1104863545 /nfs/dbraw/zinc/86/35/45/1104863545.db2.gz KFAKSHWULSIUBA-QGZVFWFLSA-N 2 2 318.852 3.086 20 0 DGADLP c1cn(-c2ccc(-c3noc([C@@H]4[NH2+]C5CCC4CC5)n3)cc2)c[nH+]1 ZINC001247634343 1104945747 /nfs/dbraw/zinc/94/57/47/1104945747.db2.gz JKKHGDMQPFYDRR-LDZOIKDWSA-N 2 2 321.384 3.125 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912259 1104953706 /nfs/dbraw/zinc/95/37/06/1104953706.db2.gz ODJDDAGNMVXWMJ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912259 1104953711 /nfs/dbraw/zinc/95/37/11/1104953711.db2.gz ODJDDAGNMVXWMJ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912259 1104953717 /nfs/dbraw/zinc/95/37/17/1104953717.db2.gz ODJDDAGNMVXWMJ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912259 1104953721 /nfs/dbraw/zinc/95/37/21/1104953721.db2.gz ODJDDAGNMVXWMJ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP CC1(C)C[NH2+][C@](C)(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001247786392 1104982604 /nfs/dbraw/zinc/98/26/04/1104982604.db2.gz SKMWZJUVFJKTHB-SFHVURJKSA-N 2 2 323.400 3.157 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]C[C@@H]3C[C@@H]3C)(C1)CCC2 ZINC001276032232 1104991959 /nfs/dbraw/zinc/99/19/59/1104991959.db2.gz MREIGKMMUIFPTQ-DKKFBQAASA-N 2 2 316.493 3.084 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]C[C@H]3C[C@H]3C)(C1)CCC2 ZINC001276032240 1104992230 /nfs/dbraw/zinc/99/22/30/1104992230.db2.gz MREIGKMMUIFPTQ-RWQQGDIJSA-N 2 2 316.493 3.084 20 0 DGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cscn1)Cc1ccccc12 ZINC001276281108 1105076287 /nfs/dbraw/zinc/07/62/87/1105076287.db2.gz USKLWMBZLAXHFT-UHFFFAOYSA-N 2 2 313.470 3.122 20 0 DGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cscn1)Cc1ccccc12 ZINC001276281108 1105076295 /nfs/dbraw/zinc/07/62/95/1105076295.db2.gz USKLWMBZLAXHFT-UHFFFAOYSA-N 2 2 313.470 3.122 20 0 DGADLP CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248273175 1105084567 /nfs/dbraw/zinc/08/45/67/1105084567.db2.gz JNPZLGVMFNJMLP-HNNXBMFYSA-N 2 2 323.400 3.122 20 0 DGADLP CC[N@H+]1CCC[C@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248273175 1105084572 /nfs/dbraw/zinc/08/45/72/1105084572.db2.gz JNPZLGVMFNJMLP-HNNXBMFYSA-N 2 2 323.400 3.122 20 0 DGADLP C[NH+](C)Cc1ccc(-c2noc(C[NH2+]Cc3ccccc3)n2)cc1 ZINC001248302165 1105091997 /nfs/dbraw/zinc/09/19/97/1105091997.db2.gz IIBWLFQUGXQDJV-UHFFFAOYSA-N 2 2 322.412 3.088 20 0 DGADLP C[N@H+](Cc1ccc2n1CCC2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001248824980 1105171642 /nfs/dbraw/zinc/17/16/42/1105171642.db2.gz KSCPODVOTKQJCV-UHFFFAOYSA-N 2 2 306.413 3.252 20 0 DGADLP C[N@@H+](Cc1ccc2n1CCC2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001248824980 1105171645 /nfs/dbraw/zinc/17/16/45/1105171645.db2.gz KSCPODVOTKQJCV-UHFFFAOYSA-N 2 2 306.413 3.252 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248963073 1105203605 /nfs/dbraw/zinc/20/36/05/1105203605.db2.gz JDYZUWAWXUEWPA-INIZCTEOSA-N 2 2 323.400 3.469 20 0 DGADLP CC[N@H+]1CCCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248963073 1105203606 /nfs/dbraw/zinc/20/36/06/1105203606.db2.gz JDYZUWAWXUEWPA-INIZCTEOSA-N 2 2 323.400 3.469 20 0 DGADLP CCc1[nH+]ccc(C)c1NC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001249556486 1105312784 /nfs/dbraw/zinc/31/27/84/1105312784.db2.gz VUPJLBHNNODFRP-MRXNPFEDSA-N 2 2 301.434 3.133 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394857 1105513113 /nfs/dbraw/zinc/51/31/13/1105513113.db2.gz AQZIZGBGHXNCGS-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394857 1105513118 /nfs/dbraw/zinc/51/31/18/1105513118.db2.gz AQZIZGBGHXNCGS-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394857 1105513125 /nfs/dbraw/zinc/51/31/25/1105513125.db2.gz AQZIZGBGHXNCGS-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394857 1105513131 /nfs/dbraw/zinc/51/31/31/1105513131.db2.gz AQZIZGBGHXNCGS-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394858 1105513356 /nfs/dbraw/zinc/51/33/56/1105513356.db2.gz AQZIZGBGHXNCGS-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394858 1105513362 /nfs/dbraw/zinc/51/33/62/1105513362.db2.gz AQZIZGBGHXNCGS-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394858 1105513365 /nfs/dbraw/zinc/51/33/65/1105513365.db2.gz AQZIZGBGHXNCGS-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@H]21 ZINC001137394858 1105513372 /nfs/dbraw/zinc/51/33/72/1105513372.db2.gz AQZIZGBGHXNCGS-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001206582653 1105522584 /nfs/dbraw/zinc/52/25/84/1105522584.db2.gz OGQFANZUPFTOFR-CQSZACIVSA-N 2 2 319.346 3.190 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001206582653 1105522591 /nfs/dbraw/zinc/52/25/91/1105522591.db2.gz OGQFANZUPFTOFR-CQSZACIVSA-N 2 2 319.346 3.190 20 0 DGADLP CCCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252099064 1105739146 /nfs/dbraw/zinc/73/91/46/1105739146.db2.gz YNXNKZHOYDRMPH-IBGZPJMESA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252099064 1105739149 /nfs/dbraw/zinc/73/91/49/1105739149.db2.gz YNXNKZHOYDRMPH-IBGZPJMESA-N 2 2 322.468 3.273 20 0 DGADLP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491040911 1105739351 /nfs/dbraw/zinc/73/93/51/1105739351.db2.gz XKXGHHXZNKCIOF-BORUEMGLSA-N 2 2 315.461 3.214 20 0 DGADLP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491040914 1105739465 /nfs/dbraw/zinc/73/94/65/1105739465.db2.gz XKXGHHXZNKCIOF-UGZFAFSNSA-N 2 2 315.461 3.214 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC001253211643 1105903431 /nfs/dbraw/zinc/90/34/31/1105903431.db2.gz YEHDKLLFNHYWFK-STQMWFEESA-N 2 2 318.383 3.059 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC001253206707 1105903702 /nfs/dbraw/zinc/90/37/02/1105903702.db2.gz REXPEVSHBBNUTA-HNNXBMFYSA-N 2 2 310.441 3.049 20 0 DGADLP Cc1cc(F)cc(C[NH+]2CCC([NH2+]C[C@H](O)C(C)(C)C)CC2)c1 ZINC001253746713 1105979677 /nfs/dbraw/zinc/97/96/77/1105979677.db2.gz AOMGGINBMQHICS-SFHVURJKSA-N 2 2 322.468 3.095 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)C2CCC3(CC3)CC2)cc[nH+]1 ZINC001254449633 1106073877 /nfs/dbraw/zinc/07/38/77/1106073877.db2.gz QQYDIQVSFMNGFN-UHFFFAOYSA-N 2 2 315.461 3.371 20 0 DGADLP C[N@H+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254531895 1106096038 /nfs/dbraw/zinc/09/60/38/1106096038.db2.gz MRAQUULSHHCQBP-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP C[N@@H+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254531895 1106096044 /nfs/dbraw/zinc/09/60/44/1106096044.db2.gz MRAQUULSHHCQBP-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254531895 1106096048 /nfs/dbraw/zinc/09/60/48/1106096048.db2.gz MRAQUULSHHCQBP-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531895 1106096054 /nfs/dbraw/zinc/09/60/54/1106096054.db2.gz MRAQUULSHHCQBP-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254532846 1106096387 /nfs/dbraw/zinc/09/63/87/1106096387.db2.gz YDOCGTORHYTRMQ-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H]1CCC[NH+](C)CC1 ZINC001254532846 1106096392 /nfs/dbraw/zinc/09/63/92/1106096392.db2.gz YDOCGTORHYTRMQ-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[NH+]1[C@H]1CCC[N@H+](C)CC1 ZINC001254532846 1106096396 /nfs/dbraw/zinc/09/63/96/1106096396.db2.gz YDOCGTORHYTRMQ-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[NH+]1[C@H]1CCC[N@@H+](C)CC1 ZINC001254532846 1106096402 /nfs/dbraw/zinc/09/64/02/1106096402.db2.gz YDOCGTORHYTRMQ-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP Brc1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254833579 1106146063 /nfs/dbraw/zinc/14/60/63/1106146063.db2.gz PSDKLUQVICSTFM-INIZCTEOSA-N 2 2 323.278 3.066 20 0 DGADLP Fc1cccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCC2)c1 ZINC001254846535 1106147954 /nfs/dbraw/zinc/14/79/54/1106147954.db2.gz WELCHPIRNFTBSV-GOSISDBHSA-N 2 2 302.437 3.365 20 0 DGADLP FC(F)(F)c1ccccc1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254849126 1106148759 /nfs/dbraw/zinc/14/87/59/1106148759.db2.gz REAFVWACDDWUBV-OAHLLOKOSA-N 2 2 312.379 3.322 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862653 1106150866 /nfs/dbraw/zinc/15/08/66/1106150866.db2.gz OQQJFQQLTCIOGB-RBUKOAKNSA-N 2 2 314.473 3.323 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862653 1106150868 /nfs/dbraw/zinc/15/08/68/1106150868.db2.gz OQQJFQQLTCIOGB-RBUKOAKNSA-N 2 2 314.473 3.323 20 0 DGADLP c1coc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C4Cc5ccccc5C4)C3)C2)c1 ZINC001255025009 1106168744 /nfs/dbraw/zinc/16/87/44/1106168744.db2.gz WEIOFHFLOXJQOA-CALCHBBNSA-N 2 2 322.452 3.201 20 0 DGADLP c1coc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C4Cc5ccccc5C4)C3)C2)c1 ZINC001255025009 1106168747 /nfs/dbraw/zinc/16/87/47/1106168747.db2.gz WEIOFHFLOXJQOA-CALCHBBNSA-N 2 2 322.452 3.201 20 0 DGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](C2Cc4ccccc4C2)C3)c1 ZINC001255025009 1106168750 /nfs/dbraw/zinc/16/87/50/1106168750.db2.gz WEIOFHFLOXJQOA-CALCHBBNSA-N 2 2 322.452 3.201 20 0 DGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](C2Cc4ccccc4C2)C3)c1 ZINC001255025009 1106168753 /nfs/dbraw/zinc/16/87/53/1106168753.db2.gz WEIOFHFLOXJQOA-CALCHBBNSA-N 2 2 322.452 3.201 20 0 DGADLP c1cc(-c2ccc3c(C4C[NH+](C5CCOCC5)C4)[nH+]cn3c2)co1 ZINC001255041213 1106171459 /nfs/dbraw/zinc/17/14/59/1106171459.db2.gz JYZLSVSNIPKUJE-UHFFFAOYSA-N 2 2 323.396 3.173 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCSC2)CC1 ZINC001255296317 1106217482 /nfs/dbraw/zinc/21/74/82/1106217482.db2.gz SDVNUHMAUPPLSQ-QGZVFWFLSA-N 2 2 308.466 3.227 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCSC2)CC1 ZINC001255296317 1106217485 /nfs/dbraw/zinc/21/74/85/1106217485.db2.gz SDVNUHMAUPPLSQ-QGZVFWFLSA-N 2 2 308.466 3.227 20 0 DGADLP CCCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001255325721 1106222548 /nfs/dbraw/zinc/22/25/48/1106222548.db2.gz KEJLBAXMCARDAL-UHOSZYNNSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001255325721 1106222551 /nfs/dbraw/zinc/22/25/51/1106222551.db2.gz KEJLBAXMCARDAL-UHOSZYNNSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001255325721 1106222552 /nfs/dbraw/zinc/22/25/52/1106222552.db2.gz KEJLBAXMCARDAL-UHOSZYNNSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001255325721 1106222553 /nfs/dbraw/zinc/22/25/53/1106222553.db2.gz KEJLBAXMCARDAL-UHOSZYNNSA-N 2 2 301.478 3.414 20 0 DGADLP C[NH+](C)C1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255399578 1106244690 /nfs/dbraw/zinc/24/46/90/1106244690.db2.gz VKFUGSBIECZDFU-HXUWFJFHSA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](C)C1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399578 1106244694 /nfs/dbraw/zinc/24/46/94/1106244694.db2.gz VKFUGSBIECZDFU-HXUWFJFHSA-N 3 2 315.505 3.067 20 0 DGADLP Cc1ccccc1N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255674736 1106292114 /nfs/dbraw/zinc/29/21/14/1106292114.db2.gz UGWGBGRSAGNCCN-DFNIBXOVSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1ccccc1N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255674736 1106292117 /nfs/dbraw/zinc/29/21/17/1106292117.db2.gz UGWGBGRSAGNCCN-DFNIBXOVSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H](C)CSc1ccc(F)cc1)CC[NH2+]CC2 ZINC001255738565 1106304960 /nfs/dbraw/zinc/30/49/60/1106304960.db2.gz RVBOKUVPTPONRC-LBPRGKRZSA-N 2 2 319.449 3.372 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001255861715 1106331827 /nfs/dbraw/zinc/33/18/27/1106331827.db2.gz HCWCUDHKXDGJOM-OAHLLOKOSA-N 2 2 313.420 3.102 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001255954808 1106348844 /nfs/dbraw/zinc/34/88/44/1106348844.db2.gz ILCCJYAPLKSNFB-GFCCVEGCSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCOc2c(F)cc(F)cc21 ZINC001255953965 1106349007 /nfs/dbraw/zinc/34/90/07/1106349007.db2.gz XLZWZZYWQXINNJ-WBMJQRKESA-N 2 2 312.404 3.498 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001255956484 1106350337 /nfs/dbraw/zinc/35/03/37/1106350337.db2.gz KKBIAQSMAQHISR-WBAXXEDZSA-N 2 2 300.446 3.019 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001255956484 1106350340 /nfs/dbraw/zinc/35/03/40/1106350340.db2.gz KKBIAQSMAQHISR-WBAXXEDZSA-N 2 2 300.446 3.019 20 0 DGADLP CCCc1noc(C2CC[NH+]([C@H](C)CC[NH+](CC)CC)CC2)n1 ZINC001255967658 1106352086 /nfs/dbraw/zinc/35/20/86/1106352086.db2.gz RPVBTPWVQWIWGH-OAHLLOKOSA-N 2 2 322.497 3.322 20 0 DGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256074126 1106364930 /nfs/dbraw/zinc/36/49/30/1106364930.db2.gz LSBWEHXHZNLPMQ-INIZCTEOSA-N 2 2 306.837 3.380 20 0 DGADLP OC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc2ccccc21 ZINC001256074400 1106365191 /nfs/dbraw/zinc/36/51/91/1106365191.db2.gz WZJCGXOVWAFXOR-HXUWFJFHSA-N 2 2 310.441 3.090 20 0 DGADLP C(OC1CC2(C1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2)C1CC1 ZINC001256077346 1106366195 /nfs/dbraw/zinc/36/61/95/1106366195.db2.gz FQFWNKIWAVYXQB-UHFFFAOYSA-N 2 2 318.505 3.284 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078542 1106366607 /nfs/dbraw/zinc/36/66/07/1106366607.db2.gz YXYOMPQRPAYMAV-IBGZPJMESA-N 2 2 314.473 3.465 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256078542 1106366610 /nfs/dbraw/zinc/36/66/10/1106366610.db2.gz YXYOMPQRPAYMAV-IBGZPJMESA-N 2 2 314.473 3.465 20 0 DGADLP COc1cccc(C[C@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001256156284 1106380324 /nfs/dbraw/zinc/38/03/24/1106380324.db2.gz QIQYNQPFWQVRHW-KXBFYZLASA-N 2 2 310.441 3.012 20 0 DGADLP COc1cccc(C[C@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001256156284 1106380328 /nfs/dbraw/zinc/38/03/28/1106380328.db2.gz QIQYNQPFWQVRHW-KXBFYZLASA-N 2 2 310.441 3.012 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1cccc(Br)c1 ZINC001256170796 1106383115 /nfs/dbraw/zinc/38/31/15/1106383115.db2.gz KMPPQZBBQGRRKN-CYBMUJFWSA-N 2 2 313.283 3.312 20 0 DGADLP COc1cccc(C[C@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001256171404 1106383662 /nfs/dbraw/zinc/38/36/62/1106383662.db2.gz UPIIVCIDYAYVAL-INIZCTEOSA-N 2 2 304.478 3.431 20 0 DGADLP COc1cccc(C[C@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001256171404 1106383665 /nfs/dbraw/zinc/38/36/65/1106383665.db2.gz UPIIVCIDYAYVAL-INIZCTEOSA-N 2 2 304.478 3.431 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001256366441 1106410881 /nfs/dbraw/zinc/41/08/81/1106410881.db2.gz XQMUQYKUSGARAE-BZSNNMDCSA-N 2 2 301.478 3.270 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256529704 1106435203 /nfs/dbraw/zinc/43/52/03/1106435203.db2.gz WGWZKYDQWXLZTD-NXHRZFHOSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256529704 1106435207 /nfs/dbraw/zinc/43/52/07/1106435207.db2.gz WGWZKYDQWXLZTD-NXHRZFHOSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537420 1106438220 /nfs/dbraw/zinc/43/82/20/1106438220.db2.gz NXYNOUFHXDBWFE-SJLPKXTDSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537420 1106438222 /nfs/dbraw/zinc/43/82/22/1106438222.db2.gz NXYNOUFHXDBWFE-SJLPKXTDSA-N 2 2 315.505 3.112 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552261 1106440497 /nfs/dbraw/zinc/44/04/97/1106440497.db2.gz ATMKDIPJSZWKMP-UYAOXDASSA-N 3 2 317.521 3.313 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552261 1106440499 /nfs/dbraw/zinc/44/04/99/1106440499.db2.gz ATMKDIPJSZWKMP-UYAOXDASSA-N 3 2 317.521 3.313 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554179 1106442430 /nfs/dbraw/zinc/44/24/30/1106442430.db2.gz OHYYKVYZUMMDQM-NSISKUIASA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554179 1106442431 /nfs/dbraw/zinc/44/24/31/1106442431.db2.gz OHYYKVYZUMMDQM-NSISKUIASA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554179 1106442432 /nfs/dbraw/zinc/44/24/32/1106442432.db2.gz OHYYKVYZUMMDQM-NSISKUIASA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554179 1106442434 /nfs/dbraw/zinc/44/24/34/1106442434.db2.gz OHYYKVYZUMMDQM-NSISKUIASA-N 2 2 314.473 3.341 20 0 DGADLP CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556762 1106443992 /nfs/dbraw/zinc/44/39/92/1106443992.db2.gz GMVFJLXEFUZLHD-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556762 1106443994 /nfs/dbraw/zinc/44/39/94/1106443994.db2.gz GMVFJLXEFUZLHD-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556762 1106443995 /nfs/dbraw/zinc/44/39/95/1106443995.db2.gz GMVFJLXEFUZLHD-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556762 1106443997 /nfs/dbraw/zinc/44/39/97/1106443997.db2.gz GMVFJLXEFUZLHD-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256558062 1106444744 /nfs/dbraw/zinc/44/47/44/1106444744.db2.gz HXRMCAIQHRMYLU-IAGOWNOFSA-N 3 2 309.542 3.207 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCc3cccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561164 1106444818 /nfs/dbraw/zinc/44/48/18/1106444818.db2.gz VXUALAGDCVQMOR-FXAWDEMLSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCc3cccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256561164 1106444819 /nfs/dbraw/zinc/44/48/19/1106444819.db2.gz VXUALAGDCVQMOR-FXAWDEMLSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561164 1106444820 /nfs/dbraw/zinc/44/48/20/1106444820.db2.gz VXUALAGDCVQMOR-FXAWDEMLSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561164 1106444821 /nfs/dbraw/zinc/44/48/21/1106444821.db2.gz VXUALAGDCVQMOR-FXAWDEMLSA-N 2 2 321.468 3.493 20 0 DGADLP COc1c(F)ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1F ZINC001256561820 1106444848 /nfs/dbraw/zinc/44/48/48/1106444848.db2.gz GPXLYYVVAUXGOL-UHFFFAOYSA-N 2 2 312.404 3.326 20 0 DGADLP CC(C)(C)C[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256566754 1106446948 /nfs/dbraw/zinc/44/69/48/1106446948.db2.gz YDESJQIMYJTQFV-UHFFFAOYSA-N 3 2 309.542 3.349 20 0 DGADLP FC1CC2(C1)CC[NH+](C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC001256588788 1106450783 /nfs/dbraw/zinc/45/07/83/1106450783.db2.gz KDAZLGBQCBTKNX-UHFFFAOYSA-N 2 2 317.452 3.260 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C3(c4ccncc4)CC3)CC2)cc1 ZINC001256598023 1106451995 /nfs/dbraw/zinc/45/19/95/1106451995.db2.gz GOWYDTCSZKKDDV-UHFFFAOYSA-N 2 2 307.441 3.325 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001256637143 1106459368 /nfs/dbraw/zinc/45/93/68/1106459368.db2.gz QHJOPKDUGUEQDT-SJLPKXTDSA-N 2 2 316.489 3.263 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256804529 1106486927 /nfs/dbraw/zinc/48/69/27/1106486927.db2.gz NRRAKVNLICMCGD-PCCBWWKXSA-N 2 2 322.452 3.292 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256804529 1106486930 /nfs/dbraw/zinc/48/69/30/1106486930.db2.gz NRRAKVNLICMCGD-PCCBWWKXSA-N 2 2 322.452 3.292 20 0 DGADLP CCC1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001256873537 1106501684 /nfs/dbraw/zinc/50/16/84/1106501684.db2.gz VRWLLBMVYDNFRR-SFANZJOMSA-N 2 2 313.489 3.414 20 0 DGADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001257251759 1106555937 /nfs/dbraw/zinc/55/59/37/1106555937.db2.gz BCKVNLFPMOHWDP-GBESFXJTSA-N 2 2 304.478 3.444 20 0 DGADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001257251759 1106555940 /nfs/dbraw/zinc/55/59/40/1106555940.db2.gz BCKVNLFPMOHWDP-GBESFXJTSA-N 2 2 304.478 3.444 20 0 DGADLP CCC[C@@H](CC)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001257261069 1106558788 /nfs/dbraw/zinc/55/87/88/1106558788.db2.gz UPLZBZOOMVJTFB-IAGOWNOFSA-N 2 2 317.477 3.378 20 0 DGADLP Brc1ccc2c(C3C[NH+](C4CCCC4)C3)[nH+]cn2c1 ZINC001257355709 1106573511 /nfs/dbraw/zinc/57/35/11/1106573511.db2.gz GFWPTKSPUJSYBC-UHFFFAOYSA-N 2 2 320.234 3.439 20 0 DGADLP CCCC[C@@H](CC)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257424004 1106587011 /nfs/dbraw/zinc/58/70/11/1106587011.db2.gz YJYZIRPIDQOSHJ-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC[C@@H](CC)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257424004 1106587015 /nfs/dbraw/zinc/58/70/15/1106587015.db2.gz YJYZIRPIDQOSHJ-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC[C@@H](CC)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001257424004 1106587017 /nfs/dbraw/zinc/58/70/17/1106587017.db2.gz YJYZIRPIDQOSHJ-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC[C@@H](CC)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001257424004 1106587020 /nfs/dbraw/zinc/58/70/20/1106587020.db2.gz YJYZIRPIDQOSHJ-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP Cn1cc[nH+]c1CC[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257829387 1106632625 /nfs/dbraw/zinc/63/26/25/1106632625.db2.gz NGNJTHWJMWVNOV-UHFFFAOYSA-N 2 2 313.445 3.080 20 0 DGADLP CCOC(=O)CC1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001258034189 1106662511 /nfs/dbraw/zinc/66/25/11/1106662511.db2.gz RDCLROFFVKNHNS-PCKAHOCUSA-N 2 2 319.449 3.035 20 0 DGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258056525 1106665474 /nfs/dbraw/zinc/66/54/74/1106665474.db2.gz AIVIWSUZHXUKPT-JYBIWHBTSA-N 2 2 317.521 3.249 20 0 DGADLP CC(C)[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147761 1106681066 /nfs/dbraw/zinc/68/10/66/1106681066.db2.gz RNEWITICGWYWHE-FQEVSTJZSA-N 2 2 316.489 3.050 20 0 DGADLP CC(C)[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147761 1106681068 /nfs/dbraw/zinc/68/10/68/1106681068.db2.gz RNEWITICGWYWHE-FQEVSTJZSA-N 2 2 316.489 3.050 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)C[C@@H](C)C1 ZINC001258159772 1106683291 /nfs/dbraw/zinc/68/32/91/1106683291.db2.gz NFGYRCCMGUEIHQ-LHDHZVESSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H](C)C1 ZINC001258160716 1106683760 /nfs/dbraw/zinc/68/37/60/1106683760.db2.gz VXKZEIDHFNZOSF-FICVDOATSA-N 2 2 314.433 3.102 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H](C)C1 ZINC001258160716 1106683762 /nfs/dbraw/zinc/68/37/62/1106683762.db2.gz VXKZEIDHFNZOSF-FICVDOATSA-N 2 2 314.433 3.102 20 0 DGADLP CSCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258205234 1106695637 /nfs/dbraw/zinc/69/56/37/1106695637.db2.gz HKFUFRKHLNOIHX-GWCFXTLKSA-N 2 2 317.296 3.180 20 0 DGADLP CC1(C)CCC[C@H]([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001258284814 1106709955 /nfs/dbraw/zinc/70/99/55/1106709955.db2.gz IEWQWKKWZYYHAF-AWEZNQCLSA-N 2 2 314.433 3.246 20 0 DGADLP CC1(C)CCC[C@H]([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001258284814 1106709960 /nfs/dbraw/zinc/70/99/60/1106709960.db2.gz IEWQWKKWZYYHAF-AWEZNQCLSA-N 2 2 314.433 3.246 20 0 DGADLP CC(C)[N@H+](C1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001258516601 1106791968 /nfs/dbraw/zinc/79/19/68/1106791968.db2.gz MGJADAGJGQQJCG-UHFFFAOYSA-N 2 2 315.505 3.460 20 0 DGADLP CC(C)[N@@H+](C1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001258516601 1106791981 /nfs/dbraw/zinc/79/19/81/1106791981.db2.gz MGJADAGJGQQJCG-UHFFFAOYSA-N 2 2 315.505 3.460 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001258709997 1106922482 /nfs/dbraw/zinc/92/24/82/1106922482.db2.gz QETDQHZFHNBBLQ-RTBURBONSA-N 2 2 304.478 3.050 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001258709997 1106922488 /nfs/dbraw/zinc/92/24/88/1106922488.db2.gz QETDQHZFHNBBLQ-RTBURBONSA-N 2 2 304.478 3.050 20 0 DGADLP Cc1[nH+]c2c(n1[C@H](C)Cc1cccc(Cl)c1)CC[NH2+]CC2 ZINC001258745558 1106947064 /nfs/dbraw/zinc/94/70/64/1106947064.db2.gz QVFBESAPSGKMAC-GFCCVEGCSA-N 2 2 303.837 3.337 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCC[C@@H](C)C1)CC2 ZINC001258820797 1107003409 /nfs/dbraw/zinc/00/34/09/1107003409.db2.gz ORFONFOBJKVMBI-HZPDHXFCSA-N 2 2 318.509 3.462 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCC[C@@H](C)C1)CC2 ZINC001258820797 1107003425 /nfs/dbraw/zinc/00/34/25/1107003425.db2.gz ORFONFOBJKVMBI-HZPDHXFCSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@@H](Cc1ccccc1)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258850608 1107026099 /nfs/dbraw/zinc/02/60/99/1107026099.db2.gz KULFSGLCVWIFPW-FQEVSTJZSA-N 3 2 319.537 3.213 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnc3ccccn23)[nH+]1 ZINC001320497719 1107029009 /nfs/dbraw/zinc/02/90/09/1107029009.db2.gz LIBAIDBLKYXGLF-INIZCTEOSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnc3ccccn23)[nH+]1 ZINC001320497719 1107029024 /nfs/dbraw/zinc/02/90/24/1107029024.db2.gz LIBAIDBLKYXGLF-INIZCTEOSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]n1 ZINC001322766641 1107753937 /nfs/dbraw/zinc/75/39/37/1107753937.db2.gz VQSHAYSRLHXGMR-SFHVURJKSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]n1 ZINC001322766641 1107753951 /nfs/dbraw/zinc/75/39/51/1107753951.db2.gz VQSHAYSRLHXGMR-SFHVURJKSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)c1ccsc1 ZINC001323065287 1107821906 /nfs/dbraw/zinc/82/19/06/1107821906.db2.gz IDZIZUHHZIFYGP-LLVKDONJSA-N 2 2 312.398 3.379 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC(C1CC1)C1CC1 ZINC001318489488 1108051145 /nfs/dbraw/zinc/05/11/45/1108051145.db2.gz ASTHUTQKOYNDTA-UHFFFAOYSA-N 2 2 310.401 3.341 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000381233561 1108094264 /nfs/dbraw/zinc/09/42/64/1108094264.db2.gz ITHILRUBNKAVOV-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000381233561 1108094277 /nfs/dbraw/zinc/09/42/77/1108094277.db2.gz ITHILRUBNKAVOV-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001323890059 1108115829 /nfs/dbraw/zinc/11/58/29/1108115829.db2.gz ZBVQKISOBHZFQZ-AWEZNQCLSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001323890059 1108115834 /nfs/dbraw/zinc/11/58/34/1108115834.db2.gz ZBVQKISOBHZFQZ-AWEZNQCLSA-N 2 2 319.399 3.196 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1CCC(F)(F)CC1 ZINC001319746743 1108620770 /nfs/dbraw/zinc/62/07/70/1108620770.db2.gz ZQBGIMUFKTYUIT-UHFFFAOYSA-N 2 2 320.343 3.340 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001319876715 1108675755 /nfs/dbraw/zinc/67/57/55/1108675755.db2.gz GKOYGCIWJCOQCF-QGZVFWFLSA-N 2 2 301.409 3.344 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001319876715 1108675760 /nfs/dbraw/zinc/67/57/60/1108675760.db2.gz GKOYGCIWJCOQCF-QGZVFWFLSA-N 2 2 301.409 3.344 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001319934079 1108700461 /nfs/dbraw/zinc/70/04/61/1108700461.db2.gz BTSKOPPULPWAHD-UHFFFAOYSA-N 2 2 318.852 3.440 20 0 DGADLP COCc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000393419781 1109009546 /nfs/dbraw/zinc/00/95/46/1109009546.db2.gz MFEXWWGDYHVCEG-KRWDZBQOSA-N 2 2 301.434 3.234 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]C/C=C\Cl)c(C)[nH+]1 ZINC001283205069 1109603255 /nfs/dbraw/zinc/60/32/55/1109603255.db2.gz NWFFMBLGCYSRJM-FWPCIQOSSA-N 2 2 323.868 3.247 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCCC[C@@H]1C ZINC001308202108 1111396186 /nfs/dbraw/zinc/39/61/86/1111396186.db2.gz FORCCCJOGBLZEI-LSDHHAIUSA-N 2 2 318.490 3.286 20 0 DGADLP CCc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001308207320 1111397785 /nfs/dbraw/zinc/39/77/85/1111397785.db2.gz IORGRRPRVOZBNK-UHFFFAOYSA-N 2 2 324.468 3.371 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H]3COc4ccccc4C3)c2)c[nH+]1 ZINC001308259594 1111405916 /nfs/dbraw/zinc/40/59/16/1111405916.db2.gz ZIRVFNADNWZVOO-AWEZNQCLSA-N 2 2 311.410 3.027 20 0 DGADLP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308289953 1111411285 /nfs/dbraw/zinc/41/12/85/1111411285.db2.gz FOGXBDUMWDBNTD-YOEHRIQHSA-N 2 2 319.474 3.475 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@@H]2C1 ZINC001308552372 1111442086 /nfs/dbraw/zinc/44/20/86/1111442086.db2.gz BUBAMOZCEKYXNN-ARFHVFGLSA-N 2 2 313.470 3.240 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@@H]2C1 ZINC001308552372 1111442091 /nfs/dbraw/zinc/44/20/91/1111442091.db2.gz BUBAMOZCEKYXNN-ARFHVFGLSA-N 2 2 313.470 3.240 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCC1 ZINC001308696532 1111462106 /nfs/dbraw/zinc/46/21/06/1111462106.db2.gz RUDVJTCXVMEONQ-DLBZAZTESA-N 2 2 302.462 3.306 20 0 DGADLP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1F ZINC001308883606 1111488239 /nfs/dbraw/zinc/48/82/39/1111488239.db2.gz YRYDLTUHWSGRNB-GDBMZVCRSA-N 2 2 308.441 3.387 20 0 DGADLP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1F ZINC001308883606 1111488241 /nfs/dbraw/zinc/48/82/41/1111488241.db2.gz YRYDLTUHWSGRNB-GDBMZVCRSA-N 2 2 308.441 3.387 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[N@H+](C)CCN1C ZINC001308948760 1111498498 /nfs/dbraw/zinc/49/84/98/1111498498.db2.gz RINPXEOXFNMNMO-MTFMMBMASA-N 2 2 321.553 3.349 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001308948760 1111498500 /nfs/dbraw/zinc/49/85/00/1111498500.db2.gz RINPXEOXFNMNMO-MTFMMBMASA-N 2 2 321.553 3.349 20 0 DGADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000272016327 282079329 /nfs/dbraw/zinc/07/93/29/282079329.db2.gz UPILSGNKOOZJOF-KRWDZBQOSA-N 2 2 323.444 3.096 20 0 DGADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000272016327 282079334 /nfs/dbraw/zinc/07/93/34/282079334.db2.gz UPILSGNKOOZJOF-KRWDZBQOSA-N 2 2 323.444 3.096 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000286540726 219043375 /nfs/dbraw/zinc/04/33/75/219043375.db2.gz OFGQBCQLYUGQNC-MRXNPFEDSA-N 2 2 320.477 3.161 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000286540726 219043377 /nfs/dbraw/zinc/04/33/77/219043377.db2.gz OFGQBCQLYUGQNC-MRXNPFEDSA-N 2 2 320.477 3.161 20 0 DGADLP CCOc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1F ZINC000278377548 214127545 /nfs/dbraw/zinc/12/75/45/214127545.db2.gz LAZGZMZXZBQOJV-UHFFFAOYSA-N 2 2 313.376 3.204 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000278436050 214151155 /nfs/dbraw/zinc/15/11/55/214151155.db2.gz KTMSLDJVLMDPBT-UHFFFAOYSA-N 2 2 303.381 3.258 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456331 214164294 /nfs/dbraw/zinc/16/42/94/214164294.db2.gz ITNDMUFCZAYYOH-GUYCJALGSA-N 2 2 324.415 3.043 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456331 214164297 /nfs/dbraw/zinc/16/42/97/214164297.db2.gz ITNDMUFCZAYYOH-GUYCJALGSA-N 2 2 324.415 3.043 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000278514401 214204765 /nfs/dbraw/zinc/20/47/65/214204765.db2.gz MJJUNWOKPYBDHN-MJGOQNOKSA-N 2 2 319.493 3.259 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000278514401 214204767 /nfs/dbraw/zinc/20/47/67/214204767.db2.gz MJJUNWOKPYBDHN-MJGOQNOKSA-N 2 2 319.493 3.259 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278555949 214234478 /nfs/dbraw/zinc/23/44/78/214234478.db2.gz AIXAPDZXKYUMLM-UHFFFAOYSA-N 2 2 301.390 3.038 20 0 DGADLP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278578913 214251809 /nfs/dbraw/zinc/25/18/09/214251809.db2.gz XZLNACVCURGBPQ-INIZCTEOSA-N 3 2 324.472 3.397 20 0 DGADLP COc1ccc2ccccc2c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254676 432003067 /nfs/dbraw/zinc/00/30/67/432003067.db2.gz QMVQDBCNKTWUNA-HNNXBMFYSA-N 2 2 309.413 3.471 20 0 DGADLP Cc1[nH+]ccc(N2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000306927109 231094040 /nfs/dbraw/zinc/09/40/40/231094040.db2.gz SCCVJKIQRQTMRP-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000278724577 214356479 /nfs/dbraw/zinc/35/64/79/214356479.db2.gz PUXUWGMMEPYOTR-UHFFFAOYSA-N 2 2 324.424 3.368 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000323491785 231217282 /nfs/dbraw/zinc/21/72/82/231217282.db2.gz SKNFQFABBDZDPD-YESZJQIVSA-N 2 2 313.445 3.322 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000324060583 231221150 /nfs/dbraw/zinc/22/11/50/231221150.db2.gz WKVFRPTZJQABBO-RTBURBONSA-N 2 2 314.404 3.021 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000324060583 231221154 /nfs/dbraw/zinc/22/11/54/231221154.db2.gz WKVFRPTZJQABBO-RTBURBONSA-N 2 2 314.404 3.021 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccsc1)C[C@@H]1CC[NH2+]C1 ZINC000328655448 231291661 /nfs/dbraw/zinc/29/16/61/231291661.db2.gz YKZWYYJAXFBEDF-CYBMUJFWSA-N 2 2 307.488 3.125 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccsc1)C[C@@H]1CC[NH2+]C1 ZINC000328655448 231291664 /nfs/dbraw/zinc/29/16/64/231291664.db2.gz YKZWYYJAXFBEDF-CYBMUJFWSA-N 2 2 307.488 3.125 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CC[NH2+]CCOC ZINC000423342675 529498649 /nfs/dbraw/zinc/49/86/49/529498649.db2.gz VHNBKSQFCAFYFB-CQSZACIVSA-N 2 2 304.434 3.190 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000414079211 529584985 /nfs/dbraw/zinc/58/49/85/529584985.db2.gz SPRBZGNMKTZITJ-ROUUACIJSA-N 2 2 301.478 3.460 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000415071551 529611582 /nfs/dbraw/zinc/61/15/82/529611582.db2.gz WNIDAWJQVISGGY-KRWDZBQOSA-N 2 2 314.477 3.070 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000136382904 282204982 /nfs/dbraw/zinc/20/49/82/282204982.db2.gz SYLYIINPHGSUFT-QGZVFWFLSA-N 2 2 319.836 3.309 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000136382904 282204983 /nfs/dbraw/zinc/20/49/83/282204983.db2.gz SYLYIINPHGSUFT-QGZVFWFLSA-N 2 2 319.836 3.309 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000415067863 529616766 /nfs/dbraw/zinc/61/67/66/529616766.db2.gz QEHOALZBIONOKL-MRXNPFEDSA-N 2 2 300.450 3.059 20 0 DGADLP CCCC[C@H](COC)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050474 185279793 /nfs/dbraw/zinc/27/97/93/185279793.db2.gz GMIKDEXGDQDQEI-OAHLLOKOSA-N 2 2 303.450 3.301 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401698 185294563 /nfs/dbraw/zinc/29/45/63/185294563.db2.gz NOVWRQLCDXETQW-VNHYZAJKSA-N 2 2 316.474 3.023 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401698 185294564 /nfs/dbraw/zinc/29/45/64/185294564.db2.gz NOVWRQLCDXETQW-VNHYZAJKSA-N 2 2 316.474 3.023 20 0 DGADLP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587633 185327435 /nfs/dbraw/zinc/32/74/35/185327435.db2.gz ZDIFRFBIWBXMCQ-KRWDZBQOSA-N 2 2 320.477 3.370 20 0 DGADLP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587633 185327436 /nfs/dbraw/zinc/32/74/36/185327436.db2.gz ZDIFRFBIWBXMCQ-KRWDZBQOSA-N 2 2 320.477 3.370 20 0 DGADLP Cc1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1-c1ccccc1 ZINC000092648666 185331304 /nfs/dbraw/zinc/33/13/04/185331304.db2.gz MHSQGOZNLATZLW-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000428408150 529722487 /nfs/dbraw/zinc/72/24/87/529722487.db2.gz YIFHYLCGTZSBGI-KRWDZBQOSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000428408150 529722489 /nfs/dbraw/zinc/72/24/89/529722489.db2.gz YIFHYLCGTZSBGI-KRWDZBQOSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1nc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309649532 529739807 /nfs/dbraw/zinc/73/98/07/529739807.db2.gz FPZLBFHIUTURBG-INIZCTEOSA-N 2 2 315.486 3.317 20 0 DGADLP CCc1nc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309649532 529739808 /nfs/dbraw/zinc/73/98/08/529739808.db2.gz FPZLBFHIUTURBG-INIZCTEOSA-N 2 2 315.486 3.317 20 0 DGADLP C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000430610666 529975125 /nfs/dbraw/zinc/97/51/25/529975125.db2.gz LGCZUXVRNHQZSI-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000430610666 529975127 /nfs/dbraw/zinc/97/51/27/529975127.db2.gz LGCZUXVRNHQZSI-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[N@H+](Cc1csc(Cc2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435615458 530019539 /nfs/dbraw/zinc/01/95/39/530019539.db2.gz HWYOWSHUMMQRCE-QGZVFWFLSA-N 2 2 315.486 3.308 20 0 DGADLP C[N@@H+](Cc1csc(Cc2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435615458 530019540 /nfs/dbraw/zinc/01/95/40/530019540.db2.gz HWYOWSHUMMQRCE-QGZVFWFLSA-N 2 2 315.486 3.308 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272643528 210047821 /nfs/dbraw/zinc/04/78/21/210047821.db2.gz OSTGTQRNNFEMBM-PBHICJAKSA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272643528 210047824 /nfs/dbraw/zinc/04/78/24/210047824.db2.gz OSTGTQRNNFEMBM-PBHICJAKSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272643528 210047827 /nfs/dbraw/zinc/04/78/27/210047827.db2.gz OSTGTQRNNFEMBM-PBHICJAKSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272643528 210047829 /nfs/dbraw/zinc/04/78/29/210047829.db2.gz OSTGTQRNNFEMBM-PBHICJAKSA-N 2 2 313.470 3.336 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc[nH+]cc1C ZINC000287001934 219264286 /nfs/dbraw/zinc/26/42/86/219264286.db2.gz HCNSOUQCBRXDLL-UHFFFAOYSA-N 2 2 304.438 3.120 20 0 DGADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000140337826 186026276 /nfs/dbraw/zinc/02/62/76/186026276.db2.gz GZFRLPHICKMQED-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000140337826 186026277 /nfs/dbraw/zinc/02/62/77/186026277.db2.gz GZFRLPHICKMQED-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839223 186261729 /nfs/dbraw/zinc/26/17/29/186261729.db2.gz ALDORJLYOGHPAB-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839223 186261731 /nfs/dbraw/zinc/26/17/31/186261731.db2.gz ALDORJLYOGHPAB-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268744350 186375819 /nfs/dbraw/zinc/37/58/19/186375819.db2.gz REFTYZCQLIMVBX-ICSRJNTNSA-N 3 2 315.505 3.115 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744350 186375820 /nfs/dbraw/zinc/37/58/20/186375820.db2.gz REFTYZCQLIMVBX-ICSRJNTNSA-N 3 2 315.505 3.115 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)CC1 ZINC000277237645 213385857 /nfs/dbraw/zinc/38/58/57/213385857.db2.gz PFGORDIEUKDVRV-HNNXBMFYSA-N 2 2 311.267 3.365 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC000277237645 213385859 /nfs/dbraw/zinc/38/58/59/213385859.db2.gz PFGORDIEUKDVRV-HNNXBMFYSA-N 2 2 311.267 3.365 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2nc3ccccc3nc2C)CC1 ZINC000172164519 198051123 /nfs/dbraw/zinc/05/11/23/198051123.db2.gz HQKQKKUBWFZZNU-UHFFFAOYSA-N 2 2 312.461 3.244 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2nc3ccccc3nc2C)CC1 ZINC000172164519 198051124 /nfs/dbraw/zinc/05/11/24/198051124.db2.gz HQKQKKUBWFZZNU-UHFFFAOYSA-N 2 2 312.461 3.244 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]c2ccccc2n1C ZINC000277186135 213352888 /nfs/dbraw/zinc/35/28/88/213352888.db2.gz OCFZXKRAGWUYKF-UHFFFAOYSA-N 2 2 311.433 3.249 20 0 DGADLP c1ccc2sc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000172645577 198130999 /nfs/dbraw/zinc/13/09/99/198130999.db2.gz RYEWLJGDGJWQLV-CQSZACIVSA-N 2 2 301.459 3.214 20 0 DGADLP c1ccc2sc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc2c1 ZINC000172645577 198131001 /nfs/dbraw/zinc/13/10/01/198131001.db2.gz RYEWLJGDGJWQLV-CQSZACIVSA-N 2 2 301.459 3.214 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000174514088 198344196 /nfs/dbraw/zinc/34/41/96/198344196.db2.gz VFPRMDVAEMGNAF-OCCSQVGLSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@H+]1C ZINC000174514088 198344198 /nfs/dbraw/zinc/34/41/98/198344198.db2.gz VFPRMDVAEMGNAF-OCCSQVGLSA-N 2 2 316.367 3.200 20 0 DGADLP CC[C@@H](COC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000163595834 432036263 /nfs/dbraw/zinc/03/62/63/432036263.db2.gz RHWORXKPJAANRG-INIZCTEOSA-N 2 2 310.869 3.319 20 0 DGADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000134899286 283013447 /nfs/dbraw/zinc/01/34/47/283013447.db2.gz HIHAETWFMVOHGW-CXAGYDPISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000134899286 283013449 /nfs/dbraw/zinc/01/34/49/283013449.db2.gz HIHAETWFMVOHGW-CXAGYDPISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000134899286 283013450 /nfs/dbraw/zinc/01/34/50/283013450.db2.gz HIHAETWFMVOHGW-CXAGYDPISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000134899286 283013451 /nfs/dbraw/zinc/01/34/51/283013451.db2.gz HIHAETWFMVOHGW-CXAGYDPISA-N 2 2 306.400 3.414 20 0 DGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[NH+]1CCCC1)CCC2 ZINC000179099522 432041190 /nfs/dbraw/zinc/04/11/90/432041190.db2.gz KDUFTTNOJKHZHL-SFHVURJKSA-N 2 2 300.446 3.074 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131866753 432040872 /nfs/dbraw/zinc/04/08/72/432040872.db2.gz DLEAWZKVJAIMJQ-OAHLLOKOSA-N 2 2 318.804 3.267 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131866753 432040877 /nfs/dbraw/zinc/04/08/77/432040877.db2.gz DLEAWZKVJAIMJQ-OAHLLOKOSA-N 2 2 318.804 3.267 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000163749811 432042404 /nfs/dbraw/zinc/04/24/04/432042404.db2.gz KBQMAMBVTHARLI-INIZCTEOSA-N 2 2 302.462 3.187 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000332637458 235227326 /nfs/dbraw/zinc/22/73/26/235227326.db2.gz TWZKQKTVAPUXKY-ZDUSSCGKSA-N 2 2 318.465 3.250 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000179268620 432052399 /nfs/dbraw/zinc/05/23/99/432052399.db2.gz YAWQEUVAWZAZJB-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000179268620 432052400 /nfs/dbraw/zinc/05/24/00/432052400.db2.gz YAWQEUVAWZAZJB-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCCCC1 ZINC000166487353 432060739 /nfs/dbraw/zinc/06/07/39/432060739.db2.gz HTBLGAVKXIHICH-UHFFFAOYSA-N 2 2 311.385 3.474 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1nc2ccccc2n1C ZINC000276943475 213193218 /nfs/dbraw/zinc/19/32/18/213193218.db2.gz UKEPVTACRJMBNP-HNNXBMFYSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccco1 ZINC000272254859 209637541 /nfs/dbraw/zinc/63/75/41/209637541.db2.gz KYVMEVPLEBWSRB-CQSZACIVSA-N 2 2 314.433 3.378 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179635655 432065584 /nfs/dbraw/zinc/06/55/84/432065584.db2.gz ISOXNNMLBSAENK-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179635655 432065586 /nfs/dbraw/zinc/06/55/86/432065586.db2.gz ISOXNNMLBSAENK-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179635641 432066031 /nfs/dbraw/zinc/06/60/31/432066031.db2.gz ISOXNNMLBSAENK-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179635641 432066033 /nfs/dbraw/zinc/06/60/33/432066033.db2.gz ISOXNNMLBSAENK-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857367 432066690 /nfs/dbraw/zinc/06/66/90/432066690.db2.gz FYLMHXSAEGCEMJ-VUHPKUFZSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857367 432066693 /nfs/dbraw/zinc/06/66/93/432066693.db2.gz FYLMHXSAEGCEMJ-VUHPKUFZSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632409 432070221 /nfs/dbraw/zinc/07/02/21/432070221.db2.gz KZBOYYWGMYBXGQ-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632409 432070223 /nfs/dbraw/zinc/07/02/23/432070223.db2.gz KZBOYYWGMYBXGQ-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP COCC[C@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000179841166 432071842 /nfs/dbraw/zinc/07/18/42/432071842.db2.gz LHLDICUSJVWTRM-HNNXBMFYSA-N 2 2 305.466 3.054 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000134102726 432073535 /nfs/dbraw/zinc/07/35/35/432073535.db2.gz ISOQGSVNRFBZOG-QYZOEREBSA-N 2 2 302.462 3.228 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180148286 199123162 /nfs/dbraw/zinc/12/31/62/199123162.db2.gz XGJVCUHQTCTVPE-MRXNPFEDSA-N 2 2 318.461 3.025 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180148286 199123164 /nfs/dbraw/zinc/12/31/64/199123164.db2.gz XGJVCUHQTCTVPE-MRXNPFEDSA-N 2 2 318.461 3.025 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000237320814 202229733 /nfs/dbraw/zinc/22/97/33/202229733.db2.gz MHRUANOCMHIKIT-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@H](COCc3ccccc3)C2)[nH+]1 ZINC000180471880 199163321 /nfs/dbraw/zinc/16/33/21/199163321.db2.gz OFHNHCNBPYWZOA-SFHVURJKSA-N 2 2 321.424 3.373 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](COCc3ccccc3)C2)[nH+]1 ZINC000180471880 199163323 /nfs/dbraw/zinc/16/33/23/199163323.db2.gz OFHNHCNBPYWZOA-SFHVURJKSA-N 2 2 321.424 3.373 20 0 DGADLP COc1ccc(Oc2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000414849417 236905304 /nfs/dbraw/zinc/90/53/04/236905304.db2.gz RCBUMPSUYOJGHY-MRXNPFEDSA-N 2 2 312.413 3.329 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)s1 ZINC000170793530 432081375 /nfs/dbraw/zinc/08/13/75/432081375.db2.gz LTJGRSDURUBZCF-UHFFFAOYSA-N 2 2 317.296 3.428 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)s1 ZINC000170793530 432081379 /nfs/dbraw/zinc/08/13/79/432081379.db2.gz LTJGRSDURUBZCF-UHFFFAOYSA-N 2 2 317.296 3.428 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000180225865 432081995 /nfs/dbraw/zinc/08/19/95/432081995.db2.gz QTHHAXWBWWWQRC-JSGCOSHPSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000180225865 432081998 /nfs/dbraw/zinc/08/19/98/432081998.db2.gz QTHHAXWBWWWQRC-JSGCOSHPSA-N 2 2 312.379 3.463 20 0 DGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000415085255 237068210 /nfs/dbraw/zinc/06/82/10/237068210.db2.gz SEAUXEIWDIZNBL-DOMZBBRYSA-N 2 2 301.459 3.439 20 0 DGADLP Fc1ccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187868223 200169067 /nfs/dbraw/zinc/16/90/67/200169067.db2.gz HJGOTFFIBHDSOS-INIZCTEOSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1ccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187868223 200169069 /nfs/dbraw/zinc/16/90/69/200169069.db2.gz HJGOTFFIBHDSOS-INIZCTEOSA-N 2 2 323.799 3.139 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000237884546 202378918 /nfs/dbraw/zinc/37/89/18/202378918.db2.gz ZQSMWIMIMDQZRK-ZIAGYGMSSA-N 2 2 311.385 3.330 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422758190 237795327 /nfs/dbraw/zinc/79/53/27/237795327.db2.gz NQDABKHAYMPLBZ-LZWOXQAQSA-N 2 2 306.450 3.275 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423363428 237844698 /nfs/dbraw/zinc/84/46/98/237844698.db2.gz IXOHWBDFDZYTGG-LRDDRELGSA-N 2 2 319.246 3.475 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134874876 432088050 /nfs/dbraw/zinc/08/80/50/432088050.db2.gz RKQCVWQPMVJYBY-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134874876 432088053 /nfs/dbraw/zinc/08/80/53/432088053.db2.gz RKQCVWQPMVJYBY-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134874876 432088055 /nfs/dbraw/zinc/08/80/55/432088055.db2.gz RKQCVWQPMVJYBY-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134874876 432088057 /nfs/dbraw/zinc/08/80/57/432088057.db2.gz RKQCVWQPMVJYBY-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP O[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000189311398 200380802 /nfs/dbraw/zinc/38/08/02/200380802.db2.gz QZFAVYXFWKDKDR-CRAIPNDOSA-N 2 2 322.880 3.055 20 0 DGADLP Cc1cccc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000134889524 432088635 /nfs/dbraw/zinc/08/86/35/432088635.db2.gz CCZYNPKOLQIYFM-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000134889524 432088637 /nfs/dbraw/zinc/08/86/37/432088637.db2.gz CCZYNPKOLQIYFM-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn21 ZINC000134889524 432088639 /nfs/dbraw/zinc/08/86/39/432088639.db2.gz CCZYNPKOLQIYFM-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn21 ZINC000134889524 432088642 /nfs/dbraw/zinc/08/86/42/432088642.db2.gz CCZYNPKOLQIYFM-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C2CCC2)cc1 ZINC000427707724 238001388 /nfs/dbraw/zinc/00/13/88/238001388.db2.gz RVKYSLCUBKCQSV-FXAWDEMLSA-N 2 2 316.489 3.394 20 0 DGADLP C[C@H](C[NH2+]Cc1nc2ccc(F)cc2s1)C[NH+]1CCCC1 ZINC000428855429 238032740 /nfs/dbraw/zinc/03/27/40/238032740.db2.gz IVDFWGMKYWIEFQ-GFCCVEGCSA-N 2 2 307.438 3.257 20 0 DGADLP Fc1ccc2nc(C[NH2+]C3CC[NH+](CC4CC4)CC3)sc2c1 ZINC000428862204 238032967 /nfs/dbraw/zinc/03/29/67/238032967.db2.gz MRUKRSPFHNEEOX-UHFFFAOYSA-N 2 2 319.449 3.399 20 0 DGADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996683 238037571 /nfs/dbraw/zinc/03/75/71/238037571.db2.gz BMUXEIMYWHKIRY-UWVAXJGDSA-N 2 2 324.472 3.034 20 0 DGADLP C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996683 238037572 /nfs/dbraw/zinc/03/75/72/238037572.db2.gz BMUXEIMYWHKIRY-UWVAXJGDSA-N 2 2 324.472 3.034 20 0 DGADLP COc1ccc2nc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)sc2c1 ZINC000429536686 238053888 /nfs/dbraw/zinc/05/38/88/238053888.db2.gz FWRWSEKXLMWTGV-CYBMUJFWSA-N 2 2 319.474 3.221 20 0 DGADLP COc1ccc2nc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)sc2c1 ZINC000429536686 238053889 /nfs/dbraw/zinc/05/38/89/238053889.db2.gz FWRWSEKXLMWTGV-CYBMUJFWSA-N 2 2 319.474 3.221 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000430596053 238081628 /nfs/dbraw/zinc/08/16/28/238081628.db2.gz NPMRNFBFQQJUKW-INIZCTEOSA-N 2 2 305.809 3.212 20 0 DGADLP C[C@H](C[NH2+]Cc1csc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000432238011 238122802 /nfs/dbraw/zinc/12/28/02/238122802.db2.gz MCJUEYJAHJDBJV-SNVBAGLBSA-N 2 2 323.289 3.113 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433496024 238160077 /nfs/dbraw/zinc/16/00/77/238160077.db2.gz CUFPUVHTWMDMDG-KRWDZBQOSA-N 2 2 320.440 3.315 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433496024 238160078 /nfs/dbraw/zinc/16/00/78/238160078.db2.gz CUFPUVHTWMDMDG-KRWDZBQOSA-N 2 2 320.440 3.315 20 0 DGADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000272017129 209387057 /nfs/dbraw/zinc/38/70/57/209387057.db2.gz BRUHUWBUCCZFIB-AWEZNQCLSA-N 2 2 301.365 3.001 20 0 DGADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000272017129 209387061 /nfs/dbraw/zinc/38/70/61/209387061.db2.gz BRUHUWBUCCZFIB-AWEZNQCLSA-N 2 2 301.365 3.001 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435444034 238307034 /nfs/dbraw/zinc/30/70/34/238307034.db2.gz UQMDEMRWKRTLRJ-HNNXBMFYSA-N 2 2 319.449 3.202 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435444034 238307039 /nfs/dbraw/zinc/30/70/39/238307039.db2.gz UQMDEMRWKRTLRJ-HNNXBMFYSA-N 2 2 319.449 3.202 20 0 DGADLP Fc1cc([C@H]2OCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC000192100750 200819262 /nfs/dbraw/zinc/81/92/62/200819262.db2.gz YRMDTCBUOIXEOE-JKSUJKDBSA-N 2 2 323.799 3.186 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000271887909 209297558 /nfs/dbraw/zinc/29/75/58/209297558.db2.gz DFNVYUGLJGXEPP-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000271887909 209297561 /nfs/dbraw/zinc/29/75/61/209297561.db2.gz DFNVYUGLJGXEPP-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)C[NH+](C)C ZINC000292817776 223259721 /nfs/dbraw/zinc/25/97/21/223259721.db2.gz WTONVEGANOXMJQ-CYBMUJFWSA-N 2 2 305.447 3.113 20 0 DGADLP c1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508507 201065894 /nfs/dbraw/zinc/06/58/94/201065894.db2.gz FFSXTXGWUZNTPE-JXFKEZNVSA-N 2 2 307.441 3.245 20 0 DGADLP c1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508507 201065896 /nfs/dbraw/zinc/06/58/96/201065896.db2.gz FFSXTXGWUZNTPE-JXFKEZNVSA-N 2 2 307.441 3.245 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)c[nH+]1 ZINC000193999849 201158776 /nfs/dbraw/zinc/15/87/76/201158776.db2.gz MWKLGIVLOFESKA-GUDVDZBRSA-N 2 2 323.440 3.310 20 0 DGADLP C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCC(C)CC1 ZINC000442789532 239125655 /nfs/dbraw/zinc/12/56/55/239125655.db2.gz DZVUFPOFEJXRBI-HZPDHXFCSA-N 2 2 311.473 3.345 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)c1cccc(OC)c1 ZINC000449069447 240002282 /nfs/dbraw/zinc/00/22/82/240002282.db2.gz XCKANCKILQHGBK-BMGDILEWSA-N 2 2 322.518 3.419 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000449138825 240035561 /nfs/dbraw/zinc/03/55/61/240035561.db2.gz JAWNJAYYETWSAG-HUUCEWRRSA-N 2 2 314.564 3.079 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000449089801 240011852 /nfs/dbraw/zinc/01/18/52/240011852.db2.gz LMNGQINXOFSMHN-GUYCJALGSA-N 2 2 308.466 3.131 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]CC[C@H]1CCOC1 ZINC000449348537 240149997 /nfs/dbraw/zinc/14/99/97/240149997.db2.gz BUGXDCSGCDNEQS-ZDUSSCGKSA-N 2 2 305.809 3.042 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449398534 240173532 /nfs/dbraw/zinc/17/35/32/240173532.db2.gz VIGGDYGJNAGPFT-AABGKKOBSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449398534 240173535 /nfs/dbraw/zinc/17/35/35/240173535.db2.gz VIGGDYGJNAGPFT-AABGKKOBSA-N 2 2 316.489 3.068 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394788 240174502 /nfs/dbraw/zinc/17/45/02/240174502.db2.gz GRLBSXCCTWOTHU-HKUYNNGSSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394788 240174505 /nfs/dbraw/zinc/17/45/05/240174505.db2.gz GRLBSXCCTWOTHU-HKUYNNGSSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325067 240132257 /nfs/dbraw/zinc/13/22/57/240132257.db2.gz JOOLCXQWAGOHOF-STQMWFEESA-N 2 2 305.372 3.291 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449519073 240263897 /nfs/dbraw/zinc/26/38/97/240263897.db2.gz CDTYWFPKIGLDSO-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449519073 240263900 /nfs/dbraw/zinc/26/39/00/240263900.db2.gz CDTYWFPKIGLDSO-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000449518560 240264008 /nfs/dbraw/zinc/26/40/08/240264008.db2.gz OCTFYHJKLCMQMJ-SJORKVTESA-N 2 2 311.429 3.115 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000449518560 240264014 /nfs/dbraw/zinc/26/40/14/240264014.db2.gz OCTFYHJKLCMQMJ-SJORKVTESA-N 2 2 311.429 3.115 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CC(C)(C)C)CC2)cc1 ZINC000449524250 240266498 /nfs/dbraw/zinc/26/64/98/240266498.db2.gz NHUYMXOFDFQLNG-UHFFFAOYSA-N 2 2 317.477 3.245 20 0 DGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000449560841 240289402 /nfs/dbraw/zinc/28/94/02/240289402.db2.gz QBKGJNACRDNEIG-VNVJMFPYSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560841 240289407 /nfs/dbraw/zinc/28/94/07/240289407.db2.gz QBKGJNACRDNEIG-VNVJMFPYSA-N 3 2 319.537 3.244 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000091670350 193089642 /nfs/dbraw/zinc/08/96/42/193089642.db2.gz UNPKQKUKNBVDQB-UHFFFAOYSA-N 2 2 307.488 3.398 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OCC(F)F)cc1 ZINC000091892400 193122678 /nfs/dbraw/zinc/12/26/78/193122678.db2.gz YFHQSACBOBWGNP-CVEARBPZSA-N 2 2 324.415 3.389 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OCC(F)F)cc1 ZINC000091892400 193122680 /nfs/dbraw/zinc/12/26/80/193122680.db2.gz YFHQSACBOBWGNP-CVEARBPZSA-N 2 2 324.415 3.389 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000091892400 193122682 /nfs/dbraw/zinc/12/26/82/193122682.db2.gz YFHQSACBOBWGNP-CVEARBPZSA-N 2 2 324.415 3.389 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000091892400 193122684 /nfs/dbraw/zinc/12/26/84/193122684.db2.gz YFHQSACBOBWGNP-CVEARBPZSA-N 2 2 324.415 3.389 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000091959838 193132745 /nfs/dbraw/zinc/13/27/45/193132745.db2.gz HYMYCTACKSUAPV-KBXCAEBGSA-N 2 2 315.465 3.190 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000091959838 193132747 /nfs/dbraw/zinc/13/27/47/193132747.db2.gz HYMYCTACKSUAPV-KBXCAEBGSA-N 2 2 315.465 3.190 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961003 193133250 /nfs/dbraw/zinc/13/32/50/193133250.db2.gz PLXGZVDKWGSADV-BZNIZROVSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961003 193133252 /nfs/dbraw/zinc/13/32/52/193133252.db2.gz PLXGZVDKWGSADV-BZNIZROVSA-N 2 2 309.335 3.384 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1-c1ccccc1 ZINC000092043362 193146425 /nfs/dbraw/zinc/14/64/25/193146425.db2.gz SGHXKXLJJQWFIN-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1-c1ccccc1 ZINC000092043362 193146426 /nfs/dbraw/zinc/14/64/26/193146426.db2.gz SGHXKXLJJQWFIN-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000180960151 432107988 /nfs/dbraw/zinc/10/79/88/432107988.db2.gz NZSGUGPOZZOEPM-INIZCTEOSA-N 2 2 313.445 3.415 20 0 DGADLP CC(C)CC[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107461 241318940 /nfs/dbraw/zinc/31/89/40/241318940.db2.gz BCRCNKMUUHRMHR-OAHLLOKOSA-N 2 2 324.431 3.132 20 0 DGADLP CC(C)CC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107461 241318944 /nfs/dbraw/zinc/31/89/44/241318944.db2.gz BCRCNKMUUHRMHR-OAHLLOKOSA-N 2 2 324.431 3.132 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC([NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000455469180 242208304 /nfs/dbraw/zinc/20/83/04/242208304.db2.gz HFNOKOOHAHVCAU-UHFFFAOYSA-N 2 2 316.449 3.099 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487047 242214786 /nfs/dbraw/zinc/21/47/86/242214786.db2.gz SBXVYLGVXFBJEG-IUODEOHRSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487047 242214787 /nfs/dbraw/zinc/21/47/87/242214787.db2.gz SBXVYLGVXFBJEG-IUODEOHRSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(C)[nH+]1 ZINC000455526806 242226216 /nfs/dbraw/zinc/22/62/16/242226216.db2.gz QCAKWZLLFGWHNK-OAHLLOKOSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(C)[nH+]1 ZINC000455526806 242226219 /nfs/dbraw/zinc/22/62/19/242226219.db2.gz QCAKWZLLFGWHNK-OAHLLOKOSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663951 284013404 /nfs/dbraw/zinc/01/34/04/284013404.db2.gz WYJRIDZTBJMVEP-MRXNPFEDSA-N 2 2 322.880 3.111 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663951 284013410 /nfs/dbraw/zinc/01/34/10/284013410.db2.gz WYJRIDZTBJMVEP-MRXNPFEDSA-N 2 2 322.880 3.111 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC[C@@H]3C[NH+]3CCCCC3)n2c1 ZINC000092219253 193175459 /nfs/dbraw/zinc/17/54/59/193175459.db2.gz ZCAIQKBPERXSRB-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP CC[N@H+](CCC1CC[NH+](CCc2c[nH+]cn2C)CC1)CC(C)C ZINC000459381296 243352946 /nfs/dbraw/zinc/35/29/46/243352946.db2.gz ANIUVYOXRSOBFX-UHFFFAOYSA-N 3 2 320.525 3.043 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](CCc2c[nH+]cn2C)CC1)CC(C)C ZINC000459381296 243352950 /nfs/dbraw/zinc/35/29/50/243352950.db2.gz ANIUVYOXRSOBFX-UHFFFAOYSA-N 3 2 320.525 3.043 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423013310 299392205 /nfs/dbraw/zinc/39/22/05/299392205.db2.gz FNMHXLHUGKMGSM-MZORAGNBSA-N 2 2 312.816 3.039 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282187810 216807349 /nfs/dbraw/zinc/80/73/49/216807349.db2.gz NFFRUVMWKMEVSC-ZWKOTPCHSA-N 2 2 302.462 3.228 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000261670569 203092612 /nfs/dbraw/zinc/09/26/12/203092612.db2.gz GBUWVOMOOUOMBH-GXTWGEPZSA-N 2 2 312.417 3.286 20 0 DGADLP CCC(O)(CC)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468379060 244038712 /nfs/dbraw/zinc/03/87/12/244038712.db2.gz ZKYXAALDEGNTDG-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468379060 244038718 /nfs/dbraw/zinc/03/87/18/244038718.db2.gz ZKYXAALDEGNTDG-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468431762 244041373 /nfs/dbraw/zinc/04/13/73/244041373.db2.gz ZIBXEJVFNOQBRX-QGZVKYPTSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468431762 244041378 /nfs/dbraw/zinc/04/13/78/244041378.db2.gz ZIBXEJVFNOQBRX-QGZVKYPTSA-N 2 2 318.505 3.284 20 0 DGADLP COC[C@H](C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469075204 244082313 /nfs/dbraw/zinc/08/23/13/244082313.db2.gz QIAKWDOLABNSMF-YJBOKZPZSA-N 2 2 304.478 3.084 20 0 DGADLP COC[C@H](C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469075204 244082320 /nfs/dbraw/zinc/08/23/20/244082320.db2.gz QIAKWDOLABNSMF-YJBOKZPZSA-N 2 2 304.478 3.084 20 0 DGADLP CCC[N@H+](Cc1cc(C)c(Br)s1)[C@H]1CC[NH2+]C1 ZINC000469998608 244140277 /nfs/dbraw/zinc/14/02/77/244140277.db2.gz GZAPXTGJSMHDKR-NSHDSACASA-N 2 2 317.296 3.393 20 0 DGADLP CCC[N@@H+](Cc1cc(C)c(Br)s1)[C@H]1CC[NH2+]C1 ZINC000469998608 244140282 /nfs/dbraw/zinc/14/02/82/244140282.db2.gz GZAPXTGJSMHDKR-NSHDSACASA-N 2 2 317.296 3.393 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000474091403 244369723 /nfs/dbraw/zinc/36/97/23/244369723.db2.gz WTHRPMBTYPSAIZ-HNAYVOBHSA-N 2 2 302.462 3.356 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000474091403 244369726 /nfs/dbraw/zinc/36/97/26/244369726.db2.gz WTHRPMBTYPSAIZ-HNAYVOBHSA-N 2 2 302.462 3.356 20 0 DGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000119282627 284139488 /nfs/dbraw/zinc/13/94/88/284139488.db2.gz LRCJRZXPPBRHCW-QJPKHSJYSA-N 2 2 322.880 3.444 20 0 DGADLP c1ccc(CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC000119491003 284144199 /nfs/dbraw/zinc/14/41/99/284144199.db2.gz NWPYNFXQZAETOU-HXUWFJFHSA-N 2 2 316.489 3.196 20 0 DGADLP c1ccc(CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CCO2)cc1 ZINC000119491003 284144200 /nfs/dbraw/zinc/14/42/00/284144200.db2.gz NWPYNFXQZAETOU-HXUWFJFHSA-N 2 2 316.489 3.196 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1C ZINC000093692821 193290907 /nfs/dbraw/zinc/29/09/07/193290907.db2.gz MLQYISNYGPEXQJ-KRWDZBQOSA-N 2 2 306.498 3.074 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c1C ZINC000093692821 193290909 /nfs/dbraw/zinc/29/09/09/193290909.db2.gz MLQYISNYGPEXQJ-KRWDZBQOSA-N 2 2 306.498 3.074 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000094342072 193362929 /nfs/dbraw/zinc/36/29/29/193362929.db2.gz OYPGLCSFJZCDAL-CJNGLKHVSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000094342072 193362931 /nfs/dbraw/zinc/36/29/31/193362931.db2.gz OYPGLCSFJZCDAL-CJNGLKHVSA-N 2 2 301.459 3.288 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C/C=C\c1ccncc1)C2 ZINC000486981928 245009838 /nfs/dbraw/zinc/00/98/38/245009838.db2.gz ACWUSGXUOQYSQK-YIEVGGLXSA-N 2 2 310.445 3.193 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000488417430 245187667 /nfs/dbraw/zinc/18/76/67/245187667.db2.gz DPGQSJCQBBRYMM-BZSNNMDCSA-N 2 2 306.519 3.279 20 0 DGADLP c1cn(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c[nH+]1 ZINC000264630327 204040033 /nfs/dbraw/zinc/04/00/33/204040033.db2.gz QYDSNCORNGMZSD-UHFFFAOYSA-N 2 2 308.385 3.375 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000126201906 284297385 /nfs/dbraw/zinc/29/73/85/284297385.db2.gz GCULALRYAHXOFU-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc[nH+]1 ZINC000274879291 212005109 /nfs/dbraw/zinc/00/51/09/212005109.db2.gz HGNXVWPTTZGIMK-UHFFFAOYSA-N 2 2 318.424 3.392 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000282613651 217126490 /nfs/dbraw/zinc/12/64/90/217126490.db2.gz LCDMOCDSIKRKNW-XHDPSFHLSA-N 2 2 320.234 3.311 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266303528 205251186 /nfs/dbraw/zinc/25/11/86/205251186.db2.gz CBLXHKJZWYLRCX-APWZRJJASA-N 2 2 310.441 3.187 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266303528 205251188 /nfs/dbraw/zinc/25/11/88/205251188.db2.gz CBLXHKJZWYLRCX-APWZRJJASA-N 2 2 310.441 3.187 20 0 DGADLP c1cc2[nH+]ccc(NCC3([NH+]4CCCC4)CCOCC3)c2s1 ZINC000266315359 205260061 /nfs/dbraw/zinc/26/00/61/205260061.db2.gz DYSLAPIQSKFRPD-UHFFFAOYSA-N 2 2 317.458 3.353 20 0 DGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000493632602 246028435 /nfs/dbraw/zinc/02/84/35/246028435.db2.gz PNDXDGRYNRZNTE-DOOKAGJSSA-N 2 2 324.428 3.104 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000021015279 182260645 /nfs/dbraw/zinc/26/06/45/182260645.db2.gz HNVQAQODMAESPU-UHFFFAOYSA-N 2 2 304.356 3.407 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCc3ccccc3OC2)c[nH+]1 ZINC000493893274 246093746 /nfs/dbraw/zinc/09/37/46/246093746.db2.gz DSKOMHYJDNJNFQ-SFHVURJKSA-N 2 2 319.408 3.356 20 0 DGADLP CC(C)CCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494394602 246142623 /nfs/dbraw/zinc/14/26/23/246142623.db2.gz VTVUBPNQHBUCME-QGZVFWFLSA-N 2 2 313.445 3.413 20 0 DGADLP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267436276 206065848 /nfs/dbraw/zinc/06/58/48/206065848.db2.gz NYNVBPZMLKXDDZ-HNNXBMFYSA-N 2 2 315.417 3.067 20 0 DGADLP CCOc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267436276 206065851 /nfs/dbraw/zinc/06/58/51/206065851.db2.gz NYNVBPZMLKXDDZ-HNNXBMFYSA-N 2 2 315.417 3.067 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000494418292 246144252 /nfs/dbraw/zinc/14/42/52/246144252.db2.gz ZDIFTTXSDUEYKG-HNNXBMFYSA-N 2 2 307.397 3.150 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)[nH]1 ZINC000267473409 206092578 /nfs/dbraw/zinc/09/25/78/206092578.db2.gz YQZGZTJALDXMHU-SFHVURJKSA-N 2 2 313.445 3.239 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)[nH]1 ZINC000267473409 206092580 /nfs/dbraw/zinc/09/25/80/206092580.db2.gz YQZGZTJALDXMHU-SFHVURJKSA-N 2 2 313.445 3.239 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c2ccccc12 ZINC000495105764 246234303 /nfs/dbraw/zinc/23/43/03/246234303.db2.gz CQDOCKOAPBYTTA-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c2ccccc12 ZINC000495105764 246234306 /nfs/dbraw/zinc/23/43/06/246234306.db2.gz CQDOCKOAPBYTTA-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c2ccccc12 ZINC000495105764 246234307 /nfs/dbraw/zinc/23/43/07/246234307.db2.gz CQDOCKOAPBYTTA-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c2ccccc12 ZINC000495105764 246234311 /nfs/dbraw/zinc/23/43/11/246234311.db2.gz CQDOCKOAPBYTTA-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c[nH+]1 ZINC000495600583 246286022 /nfs/dbraw/zinc/28/60/22/246286022.db2.gz AJELQUNBVIYEID-HNNXBMFYSA-N 2 2 321.465 3.216 20 0 DGADLP CC[C@H](C)C[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000136299909 284500106 /nfs/dbraw/zinc/50/01/06/284500106.db2.gz DFTFNHBIDADVOG-AWEZNQCLSA-N 2 2 308.470 3.316 20 0 DGADLP Clc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000135816995 432137442 /nfs/dbraw/zinc/13/74/42/432137442.db2.gz VQNLKWOJBNFPRK-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)Cn2cccn2)[NH+]2CCCC2)cc1 ZINC000138265039 284523683 /nfs/dbraw/zinc/52/36/83/284523683.db2.gz NMJQCJXQLNQKRS-PKOBYXMFSA-N 2 2 312.461 3.007 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268813322 432140209 /nfs/dbraw/zinc/14/02/09/432140209.db2.gz JRSZHHHBUINPCH-JLZZUVOBSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268813322 432140212 /nfs/dbraw/zinc/14/02/12/432140212.db2.gz JRSZHHHBUINPCH-JLZZUVOBSA-N 2 2 304.409 3.112 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCO1 ZINC000181742494 432143215 /nfs/dbraw/zinc/14/32/15/432143215.db2.gz KJZDBRCEVCMGKL-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCO1 ZINC000181742494 432143218 /nfs/dbraw/zinc/14/32/18/432143218.db2.gz KJZDBRCEVCMGKL-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)[nH+]1 ZINC000268006020 206391277 /nfs/dbraw/zinc/39/12/77/206391277.db2.gz FCXJUOIEOHPTOL-UHFFFAOYSA-N 2 2 316.449 3.181 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000268832573 432144610 /nfs/dbraw/zinc/14/46/10/432144610.db2.gz RHIHEJIHBURKJD-CABCVRRESA-N 2 2 317.433 3.420 20 0 DGADLP CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000136089328 432145109 /nfs/dbraw/zinc/14/51/09/432145109.db2.gz OROUMFYGNIPGOY-UKRRQHHQSA-N 2 2 304.463 3.375 20 0 DGADLP CCCc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000136089328 432145113 /nfs/dbraw/zinc/14/51/13/432145113.db2.gz OROUMFYGNIPGOY-UKRRQHHQSA-N 2 2 304.463 3.375 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)ccc1-n1cc[nH+]c1 ZINC000268982859 432148109 /nfs/dbraw/zinc/14/81/09/432148109.db2.gz RNDXFLJICMTNEI-OAHLLOKOSA-N 2 2 315.392 3.203 20 0 DGADLP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000136185195 432148364 /nfs/dbraw/zinc/14/83/64/432148364.db2.gz UVLNGOIOGVZRHD-INIZCTEOSA-N 2 2 322.880 3.193 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1Br ZINC000041064096 183161130 /nfs/dbraw/zinc/16/11/30/183161130.db2.gz ZHLCJWOZVXMOMZ-LLVKDONJSA-N 2 2 324.222 3.005 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000273853632 211113966 /nfs/dbraw/zinc/11/39/66/211113966.db2.gz SSGQELODMXPKKU-VHJHTJHASA-N 2 2 314.473 3.032 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000273853632 211113970 /nfs/dbraw/zinc/11/39/70/211113970.db2.gz SSGQELODMXPKKU-VHJHTJHASA-N 2 2 314.473 3.032 20 0 DGADLP COc1cccc([C@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)c1 ZINC000106462540 194216767 /nfs/dbraw/zinc/21/67/67/194216767.db2.gz JDTZRLLLITVIQK-INIZCTEOSA-N 2 2 314.433 3.323 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccco3)s2)CC1 ZINC000495092761 535459079 /nfs/dbraw/zinc/45/90/79/535459079.db2.gz IRHPANJKWIQKQW-UHFFFAOYSA-N 2 2 305.447 3.319 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccco3)s2)CC1 ZINC000495092761 535459083 /nfs/dbraw/zinc/45/90/83/535459083.db2.gz IRHPANJKWIQKQW-UHFFFAOYSA-N 2 2 305.447 3.319 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268840570 207004865 /nfs/dbraw/zinc/00/48/65/207004865.db2.gz UEYPRWZKXMWGRD-JKIFEVAISA-N 2 2 318.461 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268840570 207004872 /nfs/dbraw/zinc/00/48/72/207004872.db2.gz UEYPRWZKXMWGRD-JKIFEVAISA-N 2 2 318.461 3.146 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864893 207033623 /nfs/dbraw/zinc/03/36/23/207033623.db2.gz FFMPVWBTMFETTI-LAUBAEHRSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864893 207033626 /nfs/dbraw/zinc/03/36/26/207033626.db2.gz FFMPVWBTMFETTI-LAUBAEHRSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268914331 207080162 /nfs/dbraw/zinc/08/01/62/207080162.db2.gz UKBBHXNVBFLQEN-OXQOHEQNSA-N 2 2 321.424 3.431 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000268921085 207087478 /nfs/dbraw/zinc/08/74/78/207087478.db2.gz JQJLFKGQSQXKJQ-UHFFFAOYSA-N 2 2 318.461 3.216 20 0 DGADLP C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268932284 207097106 /nfs/dbraw/zinc/09/71/06/207097106.db2.gz MJYNRYDSNWTLTC-MRXNPFEDSA-N 2 2 313.445 3.466 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269001133 207156503 /nfs/dbraw/zinc/15/65/03/207156503.db2.gz LNGUDGUAAJBUMX-HNNXBMFYSA-N 3 2 323.912 3.234 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014067 207165190 /nfs/dbraw/zinc/16/51/90/207165190.db2.gz XYWAHGCSSWPADN-YZVOILCLSA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014067 207165194 /nfs/dbraw/zinc/16/51/94/207165194.db2.gz XYWAHGCSSWPADN-YZVOILCLSA-N 2 2 310.445 3.006 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1sccc1Br ZINC000269132855 207264996 /nfs/dbraw/zinc/26/49/96/207264996.db2.gz MTDHIQYPDAFFBZ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1sccc1Br ZINC000269132855 207265001 /nfs/dbraw/zinc/26/50/01/207265001.db2.gz MTDHIQYPDAFFBZ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248502495 285001833 /nfs/dbraw/zinc/00/18/33/285001833.db2.gz UJCJRJZFTXEJBE-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248502495 285001835 /nfs/dbraw/zinc/00/18/35/285001835.db2.gz UJCJRJZFTXEJBE-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP Brc1cscc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000302681162 532981959 /nfs/dbraw/zinc/98/19/59/532981959.db2.gz PWSFYIZNGZDKGG-UHFFFAOYSA-N 2 2 317.296 3.476 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)C1 ZINC000248885035 285036177 /nfs/dbraw/zinc/03/61/77/285036177.db2.gz PVDRXTMVFSMYLF-NXHRZFHOSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)C1 ZINC000248885035 285036181 /nfs/dbraw/zinc/03/61/81/285036181.db2.gz PVDRXTMVFSMYLF-NXHRZFHOSA-N 2 2 304.478 3.209 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000269954429 208005965 /nfs/dbraw/zinc/00/59/65/208005965.db2.gz WHNYFMBWEKADFZ-UHFFFAOYSA-N 2 2 318.490 3.156 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000337276269 253076620 /nfs/dbraw/zinc/07/66/20/253076620.db2.gz FCVYPOZWCDNPHT-XBVQOTNRSA-N 2 2 324.415 3.399 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000337276269 253076622 /nfs/dbraw/zinc/07/66/22/253076622.db2.gz FCVYPOZWCDNPHT-XBVQOTNRSA-N 2 2 324.415 3.399 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCC[C@@H]3OC(F)F)n2c1 ZINC000337281531 253077484 /nfs/dbraw/zinc/07/74/84/253077484.db2.gz HWEXYZKEQGWLSV-KGLIPLIRSA-N 2 2 309.360 3.283 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)n2c1 ZINC000337281535 253077747 /nfs/dbraw/zinc/07/77/47/253077747.db2.gz HWEXYZKEQGWLSV-ZIAGYGMSSA-N 2 2 309.360 3.283 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337323327 253086830 /nfs/dbraw/zinc/08/68/30/253086830.db2.gz AJBSLDMAFDPDBI-ZHALLVOQSA-N 2 2 301.478 3.429 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337323327 253086831 /nfs/dbraw/zinc/08/68/31/253086831.db2.gz AJBSLDMAFDPDBI-ZHALLVOQSA-N 2 2 301.478 3.429 20 0 DGADLP Cc1ccsc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337386541 253103728 /nfs/dbraw/zinc/10/37/28/253103728.db2.gz IDAYHYAGNVHCAV-UHFFFAOYSA-N 2 2 322.397 3.193 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166904 195110227 /nfs/dbraw/zinc/11/02/27/195110227.db2.gz OQSPCCZQMSPKDF-HZPDHXFCSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166904 195110232 /nfs/dbraw/zinc/11/02/32/195110232.db2.gz OQSPCCZQMSPKDF-HZPDHXFCSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000337475579 253123345 /nfs/dbraw/zinc/12/33/45/253123345.db2.gz YEOIVLXOEDMTLG-UHFFFAOYSA-N 2 2 320.481 3.018 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc[nH+]1 ZINC000337784057 253174472 /nfs/dbraw/zinc/17/44/72/253174472.db2.gz AECANQDGFLRZFB-QGZVFWFLSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc[nH+]1 ZINC000337784057 253174475 /nfs/dbraw/zinc/17/44/75/253174475.db2.gz AECANQDGFLRZFB-QGZVFWFLSA-N 2 2 310.445 3.498 20 0 DGADLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)(C)C ZINC000338019937 253210783 /nfs/dbraw/zinc/21/07/83/253210783.db2.gz OFBSHHARDZBAKJ-GOSISDBHSA-N 2 2 319.493 3.087 20 0 DGADLP COCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000337939887 253196153 /nfs/dbraw/zinc/19/61/53/253196153.db2.gz ACYRRNDESARPPH-HNNXBMFYSA-N 2 2 307.463 3.475 20 0 DGADLP c1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000337987388 253204883 /nfs/dbraw/zinc/20/48/83/253204883.db2.gz KHJUPMARHXZIKS-PMACEKPBSA-N 2 2 314.473 3.187 20 0 DGADLP C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338003749 253207859 /nfs/dbraw/zinc/20/78/59/253207859.db2.gz NNBPBECIWPORDY-ZNMIVQPWSA-N 2 2 312.417 3.072 20 0 DGADLP C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338003749 253207860 /nfs/dbraw/zinc/20/78/60/253207860.db2.gz NNBPBECIWPORDY-ZNMIVQPWSA-N 2 2 312.417 3.072 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000442765745 533057624 /nfs/dbraw/zinc/05/76/24/533057624.db2.gz JRGKFIWMKQEVIL-HZPDHXFCSA-N 2 2 322.518 3.152 20 0 DGADLP Cc1cc(N2CC[NH+](CCSC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000338254420 253250437 /nfs/dbraw/zinc/25/04/37/253250437.db2.gz QDKCXHDGXXHZKG-UHFFFAOYSA-N 2 2 322.522 3.172 20 0 DGADLP CC[C@H](NC(=O)c1ccc(C[NH+](CC)CC)cc1)c1[nH]cc[nH+]1 ZINC000338223212 253245225 /nfs/dbraw/zinc/24/52/25/253245225.db2.gz YMEUFCSIIQQYEV-INIZCTEOSA-N 2 2 314.433 3.133 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000442870432 533058795 /nfs/dbraw/zinc/05/87/95/533058795.db2.gz CUGLUHPSTGQNDS-LSDHHAIUSA-N 2 2 308.491 3.170 20 0 DGADLP CC[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)cc1)c1[nH]cc[nH+]1 ZINC000338223214 253245369 /nfs/dbraw/zinc/24/53/69/253245369.db2.gz YMEUFCSIIQQYEV-MRXNPFEDSA-N 2 2 314.433 3.133 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1n1cc[nH+]c1 ZINC000253553380 285110875 /nfs/dbraw/zinc/11/08/75/285110875.db2.gz XWJUKDZHWXFZBY-RDTXWAMCSA-N 2 2 322.412 3.220 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1n1cc[nH+]c1 ZINC000253553380 285110877 /nfs/dbraw/zinc/11/08/77/285110877.db2.gz XWJUKDZHWXFZBY-RDTXWAMCSA-N 2 2 322.412 3.220 20 0 DGADLP c1csc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000253354923 285108642 /nfs/dbraw/zinc/10/86/42/285108642.db2.gz QYFIGCACXNMVHX-BJWYYQGGSA-N 2 2 313.470 3.428 20 0 DGADLP c1csc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000253354923 285108644 /nfs/dbraw/zinc/10/86/44/285108644.db2.gz QYFIGCACXNMVHX-BJWYYQGGSA-N 2 2 313.470 3.428 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCC3C[C@@H](C)O[C@H](C)C3)n2c1 ZINC000338480058 253294953 /nfs/dbraw/zinc/29/49/53/253294953.db2.gz BPURCPRAYWBLTR-HUUCEWRRSA-N 2 2 301.434 3.326 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000159017979 197320055 /nfs/dbraw/zinc/32/00/55/197320055.db2.gz FTORQEHLHFGYFQ-APWZRJJASA-N 2 2 321.428 3.152 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000159017979 197320057 /nfs/dbraw/zinc/32/00/57/197320057.db2.gz FTORQEHLHFGYFQ-APWZRJJASA-N 2 2 321.428 3.152 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000338991289 253384111 /nfs/dbraw/zinc/38/41/11/253384111.db2.gz MSBUCQCRLCANQD-LPHOPBHVSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000338991289 253384112 /nfs/dbraw/zinc/38/41/12/253384112.db2.gz MSBUCQCRLCANQD-LPHOPBHVSA-N 2 2 302.462 3.323 20 0 DGADLP CCc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000272914387 210300565 /nfs/dbraw/zinc/30/05/65/210300565.db2.gz JVSUFTUTVDYTNT-AWEZNQCLSA-N 2 2 323.444 3.163 20 0 DGADLP CCc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000272914387 210300571 /nfs/dbraw/zinc/30/05/71/210300571.db2.gz JVSUFTUTVDYTNT-AWEZNQCLSA-N 2 2 323.444 3.163 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000339384773 253458484 /nfs/dbraw/zinc/45/84/84/253458484.db2.gz KHOMMIGNZJCMNO-WHWKNOJMSA-N 2 2 323.400 3.472 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120281079 195134176 /nfs/dbraw/zinc/13/41/76/195134176.db2.gz FGIKBRQTMHEYPO-YJBOKZPZSA-N 2 2 324.428 3.419 20 0 DGADLP C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158067753 197241250 /nfs/dbraw/zinc/24/12/50/197241250.db2.gz DEBGOOMKTZFRTQ-WMLDXEAASA-N 2 2 301.434 3.320 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)cc2[nH+]1 ZINC000342717540 254036540 /nfs/dbraw/zinc/03/65/40/254036540.db2.gz VSGBEZQKHZNTIS-GXTWGEPZSA-N 2 2 314.433 3.232 20 0 DGADLP CCc1nc(N(CC[NH+](C)C)Cc2cccc(F)c2)cc(C)[nH+]1 ZINC000342631366 254022177 /nfs/dbraw/zinc/02/21/77/254022177.db2.gz DWAFEOOFZZLVDO-UHFFFAOYSA-N 2 2 316.424 3.055 20 0 DGADLP Cc1cccc(N2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1C ZINC000342671653 254029268 /nfs/dbraw/zinc/02/92/68/254029268.db2.gz BIBIVHBQMOLZNS-UHFFFAOYSA-N 2 2 320.440 3.273 20 0 DGADLP CCc1nc(N2CCC(CCCn3cc[nH+]c3)CC2)cc(C)[nH+]1 ZINC000342834281 254061669 /nfs/dbraw/zinc/06/16/69/254061669.db2.gz JIYMWWQRZSTAHV-UHFFFAOYSA-N 2 2 313.449 3.241 20 0 DGADLP Cn1c[nH+]cc1C[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000342979445 254082477 /nfs/dbraw/zinc/08/24/77/254082477.db2.gz MFSFUGBFAQWPMO-UHFFFAOYSA-N 2 2 312.348 3.036 20 0 DGADLP CC(C)[C@@H](C[NH2+]CC1=CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000343086130 254097661 /nfs/dbraw/zinc/09/76/61/254097661.db2.gz SSABRAHHJKGRKY-HXUWFJFHSA-N 2 2 314.473 3.006 20 0 DGADLP CC(C)[C@@H](C[NH2+]CC1=CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000343086130 254097663 /nfs/dbraw/zinc/09/76/63/254097663.db2.gz SSABRAHHJKGRKY-HXUWFJFHSA-N 2 2 314.473 3.006 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000343583578 254164423 /nfs/dbraw/zinc/16/44/23/254164423.db2.gz SEOGPVBOSONGNJ-HNNXBMFYSA-N 2 2 317.433 3.421 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000422858016 533124331 /nfs/dbraw/zinc/12/43/31/533124331.db2.gz ZFRHYCDWZQAKSO-SYAUCNOPSA-N 2 2 323.506 3.251 20 0 DGADLP c1sc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc1C1CC1 ZINC000343600316 254166328 /nfs/dbraw/zinc/16/63/28/254166328.db2.gz FUCSKUWIYOTPNJ-AWEZNQCLSA-N 2 2 301.415 3.069 20 0 DGADLP c1sc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc1C1CC1 ZINC000343600316 254166329 /nfs/dbraw/zinc/16/63/29/254166329.db2.gz FUCSKUWIYOTPNJ-AWEZNQCLSA-N 2 2 301.415 3.069 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000343605943 254166562 /nfs/dbraw/zinc/16/65/62/254166562.db2.gz PYMVMZNCHRJGHK-UHFFFAOYSA-N 2 2 316.367 3.345 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000343605943 254166565 /nfs/dbraw/zinc/16/65/65/254166565.db2.gz PYMVMZNCHRJGHK-UHFFFAOYSA-N 2 2 316.367 3.345 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@@H](C)C1 ZINC000343892972 254200034 /nfs/dbraw/zinc/20/00/34/254200034.db2.gz QJRCAFFIHUKCNX-YJBOKZPZSA-N 2 2 317.477 3.101 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)[C@@H](C)C1 ZINC000343892972 254200036 /nfs/dbraw/zinc/20/00/36/254200036.db2.gz QJRCAFFIHUKCNX-YJBOKZPZSA-N 2 2 317.477 3.101 20 0 DGADLP C[C@H](CCNc1cc(N2CCCCC2)[nH+]cn1)[NH+]1CCCCC1 ZINC000343890054 254200068 /nfs/dbraw/zinc/20/00/68/254200068.db2.gz RRUBIQRSMFXPSB-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H](CCNc1cc(N2CCCCC2)nc[nH+]1)[NH+]1CCCCC1 ZINC000343890054 254200072 /nfs/dbraw/zinc/20/00/72/254200072.db2.gz RRUBIQRSMFXPSB-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000343946315 254205628 /nfs/dbraw/zinc/20/56/28/254205628.db2.gz XCTHBJOQPNKOKE-CVEARBPZSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000343946315 254205630 /nfs/dbraw/zinc/20/56/30/254205630.db2.gz XCTHBJOQPNKOKE-CVEARBPZSA-N 2 2 320.477 3.217 20 0 DGADLP CCCN(CC[NH+]1CCCCCC1)Cc1cc(OC)cc[nH+]1 ZINC000344034403 254216137 /nfs/dbraw/zinc/21/61/37/254216137.db2.gz RFYXEYOAJZPLHK-UHFFFAOYSA-N 2 2 305.466 3.178 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc2c(ccc3ccccc23)o1 ZINC000344092723 254224224 /nfs/dbraw/zinc/22/42/24/254224224.db2.gz FLIRJPUGOHLKNZ-DZGCQCFKSA-N 2 2 312.413 3.159 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@@H+]1C ZINC000344615355 254289078 /nfs/dbraw/zinc/28/90/78/254289078.db2.gz FYMCQPLYJXSPJP-GWCFXTLKSA-N 2 2 304.331 3.417 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@H+]1C ZINC000344615355 254289080 /nfs/dbraw/zinc/28/90/80/254289080.db2.gz FYMCQPLYJXSPJP-GWCFXTLKSA-N 2 2 304.331 3.417 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000344686405 254296057 /nfs/dbraw/zinc/29/60/57/254296057.db2.gz RDBCERGDKBMPPZ-NWDGAFQWSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686405 254296059 /nfs/dbraw/zinc/29/60/59/254296059.db2.gz RDBCERGDKBMPPZ-NWDGAFQWSA-N 2 2 307.488 3.444 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1Br ZINC000344320497 254256314 /nfs/dbraw/zinc/25/63/14/254256314.db2.gz CPNJUZOFIDWNJV-IUODEOHRSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1Br ZINC000344320497 254256316 /nfs/dbraw/zinc/25/63/16/254256316.db2.gz CPNJUZOFIDWNJV-IUODEOHRSA-N 2 2 311.267 3.330 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000344374572 254263786 /nfs/dbraw/zinc/26/37/86/254263786.db2.gz KWRXAROFPHPGBM-DZGCQCFKSA-N 2 2 314.857 3.160 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000344374572 254263787 /nfs/dbraw/zinc/26/37/87/254263787.db2.gz KWRXAROFPHPGBM-DZGCQCFKSA-N 2 2 314.857 3.160 20 0 DGADLP OCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000344465020 254273647 /nfs/dbraw/zinc/27/36/47/254273647.db2.gz SAMGFPKRLFTVRN-IBGZPJMESA-N 2 2 307.397 3.086 20 0 DGADLP CCC(CC)(CNCc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000344522552 254279713 /nfs/dbraw/zinc/27/97/13/254279713.db2.gz KECOFVIBBINCCQ-OAHLLOKOSA-N 2 2 300.450 3.409 20 0 DGADLP CCCOc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1OCC ZINC000344686450 254296231 /nfs/dbraw/zinc/29/62/31/254296231.db2.gz RVFBUZGSYFDCHD-DOTOQJQBSA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1OCC ZINC000344686450 254296232 /nfs/dbraw/zinc/29/62/32/254296232.db2.gz RVFBUZGSYFDCHD-DOTOQJQBSA-N 2 2 320.477 3.446 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000344690315 254296622 /nfs/dbraw/zinc/29/66/22/254296622.db2.gz XCYKIDZVWIFQOI-XJKSGUPXSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000344690315 254296623 /nfs/dbraw/zinc/29/66/23/254296623.db2.gz XCYKIDZVWIFQOI-XJKSGUPXSA-N 2 2 318.852 3.098 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccccc2C)CC1 ZINC000344779395 254304628 /nfs/dbraw/zinc/30/46/28/254304628.db2.gz YHOPUUQEXJAJBX-KRWDZBQOSA-N 2 2 318.505 3.405 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000344780617 254304895 /nfs/dbraw/zinc/30/48/95/254304895.db2.gz ZJWKHNVPDFWRPU-HNNXBMFYSA-N 2 2 322.468 3.236 20 0 DGADLP FC(F)Oc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000261819742 285193361 /nfs/dbraw/zinc/19/33/61/285193361.db2.gz ANRPVGRHDAQIHY-UHFFFAOYSA-N 2 2 310.388 3.252 20 0 DGADLP COCC1CCC([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000294673751 224159479 /nfs/dbraw/zinc/15/94/79/224159479.db2.gz AQIRXBXKLZSEHY-IPJUCJBFSA-N 2 2 304.478 3.302 20 0 DGADLP COCC1CCC([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000294673751 224159482 /nfs/dbraw/zinc/15/94/82/224159482.db2.gz AQIRXBXKLZSEHY-IPJUCJBFSA-N 2 2 304.478 3.302 20 0 DGADLP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)s2)cc1 ZINC000415116633 533181461 /nfs/dbraw/zinc/18/14/61/533181461.db2.gz UXSOTDJTDLVLDW-AWEZNQCLSA-N 2 2 302.443 3.265 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000290680672 285245581 /nfs/dbraw/zinc/24/55/81/285245581.db2.gz LXTJLXGQEVZVRM-GFCCVEGCSA-N 2 2 320.234 3.441 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000120850352 195249596 /nfs/dbraw/zinc/24/95/96/195249596.db2.gz QAMDWYHMEKEGIG-LPHOPBHVSA-N 2 2 302.462 3.187 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)c1 ZINC000120901816 195260619 /nfs/dbraw/zinc/26/06/19/195260619.db2.gz PNCKJDSLDUYJTG-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289476974 221003911 /nfs/dbraw/zinc/00/39/11/221003911.db2.gz JNNNGWYSNMUYSS-UHFFFAOYSA-N 2 2 310.319 3.447 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000289506437 221026314 /nfs/dbraw/zinc/02/63/14/221026314.db2.gz DZFXCRPNYRJNMC-GOSISDBHSA-N 3 2 301.478 3.130 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000289506437 221026316 /nfs/dbraw/zinc/02/63/16/221026316.db2.gz DZFXCRPNYRJNMC-GOSISDBHSA-N 3 2 301.478 3.130 20 0 DGADLP CCn1nccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289947782 221334071 /nfs/dbraw/zinc/33/40/71/221334071.db2.gz YOJRPGIIJUAZLR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1nccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289947782 221334073 /nfs/dbraw/zinc/33/40/73/221334073.db2.gz YOJRPGIIJUAZLR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1nccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289947782 221334074 /nfs/dbraw/zinc/33/40/74/221334074.db2.gz YOJRPGIIJUAZLR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1nccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289947782 221334077 /nfs/dbraw/zinc/33/40/77/221334077.db2.gz YOJRPGIIJUAZLR-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccnc1OCC(F)F ZINC000289962137 221344548 /nfs/dbraw/zinc/34/45/48/221344548.db2.gz BIEXWXWDHZBZIY-UHFFFAOYSA-N 2 2 321.371 3.151 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000289990889 221364613 /nfs/dbraw/zinc/36/46/13/221364613.db2.gz CGYXYFKPLBLXLD-KRWDZBQOSA-N 2 2 300.377 3.055 20 0 DGADLP CC(C)n1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000289973102 221354098 /nfs/dbraw/zinc/35/40/98/221354098.db2.gz ZICZDMQVXAQFTH-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP CC(C)n1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000289973102 221354102 /nfs/dbraw/zinc/35/41/02/221354102.db2.gz ZICZDMQVXAQFTH-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP CC(C)n1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000289973102 221354104 /nfs/dbraw/zinc/35/41/04/221354104.db2.gz ZICZDMQVXAQFTH-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP CC(C)n1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000289973102 221354109 /nfs/dbraw/zinc/35/41/09/221354109.db2.gz ZICZDMQVXAQFTH-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC000348337604 285340570 /nfs/dbraw/zinc/34/05/70/285340570.db2.gz GRPNCDOZWQOUAD-MRXNPFEDSA-N 2 2 302.466 3.077 20 0 DGADLP Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC000348337604 285340575 /nfs/dbraw/zinc/34/05/75/285340575.db2.gz GRPNCDOZWQOUAD-MRXNPFEDSA-N 2 2 302.466 3.077 20 0 DGADLP Fc1cccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000352536013 285354061 /nfs/dbraw/zinc/35/40/61/285354061.db2.gz YIBHGSRKVJNHMO-GOSISDBHSA-N 2 2 300.377 3.307 20 0 DGADLP Fc1cccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000352536013 285354065 /nfs/dbraw/zinc/35/40/65/285354065.db2.gz YIBHGSRKVJNHMO-GOSISDBHSA-N 2 2 300.377 3.307 20 0 DGADLP c1coc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121009168 195279892 /nfs/dbraw/zinc/27/98/92/195279892.db2.gz YXCCHIGBWFOXPL-SFHVURJKSA-N 2 2 309.369 3.039 20 0 DGADLP c1coc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121009168 195279895 /nfs/dbraw/zinc/27/98/95/195279895.db2.gz YXCCHIGBWFOXPL-SFHVURJKSA-N 2 2 309.369 3.039 20 0 DGADLP c1cn(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c[nH+]1 ZINC000121758525 195341888 /nfs/dbraw/zinc/34/18/88/195341888.db2.gz NZMQIAXBSUQEBY-SFHVURJKSA-N 2 2 311.429 3.265 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415073436 533424176 /nfs/dbraw/zinc/42/41/76/533424176.db2.gz YLLKTSAGVLNCMH-UHFFFAOYSA-N 2 2 303.233 3.234 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427882877 533528145 /nfs/dbraw/zinc/52/81/45/533528145.db2.gz CIGPXGGHTDNLPH-DGCLKSJQSA-N 2 2 307.344 3.150 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000423060106 533503033 /nfs/dbraw/zinc/50/30/33/533503033.db2.gz NOZBWLKMQRHBQH-UTLUCORTSA-N 2 2 303.269 3.302 20 0 DGADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)C(C)(C)C)cc1 ZINC000297602953 533549252 /nfs/dbraw/zinc/54/92/52/533549252.db2.gz KASOCYJQXDKTDO-UHFFFAOYSA-N 2 2 301.434 3.272 20 0 DGADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)C(C)(C)C)cc1 ZINC000297602953 533549257 /nfs/dbraw/zinc/54/92/57/533549257.db2.gz KASOCYJQXDKTDO-UHFFFAOYSA-N 2 2 301.434 3.272 20 0 DGADLP CSCC1(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000595067449 400097188 /nfs/dbraw/zinc/09/71/88/400097188.db2.gz IRWGNBODKSMUJH-UHFFFAOYSA-N 2 2 305.491 3.173 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000584782556 400103564 /nfs/dbraw/zinc/10/35/64/400103564.db2.gz QDTLNVDVDRDKSQ-IAGOWNOFSA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000584782556 400103568 /nfs/dbraw/zinc/10/35/68/400103568.db2.gz QDTLNVDVDRDKSQ-IAGOWNOFSA-N 2 2 324.415 3.437 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000090847399 400080008 /nfs/dbraw/zinc/08/00/08/400080008.db2.gz KJTCXZQDHKYXBM-SZNDQCEHSA-N 2 2 302.443 3.021 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316374021 400150273 /nfs/dbraw/zinc/15/02/73/400150273.db2.gz IEKFTGCDWUMIFD-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043119 400150280 /nfs/dbraw/zinc/15/02/80/400150280.db2.gz JPZLDTLSVSMAPF-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043119 400150286 /nfs/dbraw/zinc/15/02/86/400150286.db2.gz JPZLDTLSVSMAPF-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043119 400150292 /nfs/dbraw/zinc/15/02/92/400150292.db2.gz JPZLDTLSVSMAPF-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncccc3C(F)(F)F)CC[C@@H]21 ZINC000092043119 400150294 /nfs/dbraw/zinc/15/02/94/400150294.db2.gz JPZLDTLSVSMAPF-WFASDCNBSA-N 2 2 313.367 3.017 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316374021 400150277 /nfs/dbraw/zinc/15/02/77/400150277.db2.gz IEKFTGCDWUMIFD-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP CCc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066162 400151510 /nfs/dbraw/zinc/15/15/10/400151510.db2.gz MHTBYJYIXVPNLH-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066162 400151514 /nfs/dbraw/zinc/15/15/14/400151514.db2.gz MHTBYJYIXVPNLH-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000092066162 400151518 /nfs/dbraw/zinc/15/15/18/400151518.db2.gz MHTBYJYIXVPNLH-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000092066162 400151521 /nfs/dbraw/zinc/15/15/21/400151521.db2.gz MHTBYJYIXVPNLH-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072998 400154117 /nfs/dbraw/zinc/15/41/17/400154117.db2.gz KLXDWFWCXBKOEZ-AWEZNQCLSA-N 2 2 315.417 3.115 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092072998 400154118 /nfs/dbraw/zinc/15/41/18/400154118.db2.gz KLXDWFWCXBKOEZ-AWEZNQCLSA-N 2 2 315.417 3.115 20 0 DGADLP Cn1nc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c2ccccc21 ZINC000321255615 400170054 /nfs/dbraw/zinc/17/00/54/400170054.db2.gz PGXAKQBRHVWURV-UHFFFAOYSA-N 2 2 314.477 3.318 20 0 DGADLP Cn1nc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c2ccccc21 ZINC000321255615 400170057 /nfs/dbraw/zinc/17/00/57/400170057.db2.gz PGXAKQBRHVWURV-UHFFFAOYSA-N 2 2 314.477 3.318 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770346 400255336 /nfs/dbraw/zinc/25/53/36/400255336.db2.gz FNCBOAJPISWJDB-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770346 400255339 /nfs/dbraw/zinc/25/53/39/400255339.db2.gz FNCBOAJPISWJDB-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770346 400255344 /nfs/dbraw/zinc/25/53/44/400255344.db2.gz FNCBOAJPISWJDB-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770346 400255347 /nfs/dbraw/zinc/25/53/47/400255347.db2.gz FNCBOAJPISWJDB-ZIAGYGMSSA-N 2 2 307.507 3.042 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)CCCn3cc[nH+]c3)c2C1 ZINC000589407080 400293937 /nfs/dbraw/zinc/29/39/37/400293937.db2.gz GQYNOWHLQRSROE-UHFFFAOYSA-N 2 2 312.417 3.028 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)CCCn3cc[nH+]c3)c2C1 ZINC000589407080 400293944 /nfs/dbraw/zinc/29/39/44/400293944.db2.gz GQYNOWHLQRSROE-UHFFFAOYSA-N 2 2 312.417 3.028 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404454912 400295352 /nfs/dbraw/zinc/29/53/52/400295352.db2.gz IUNPVLGKOFJNGB-WMLDXEAASA-N 2 2 301.459 3.143 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404454912 400295356 /nfs/dbraw/zinc/29/53/56/400295356.db2.gz IUNPVLGKOFJNGB-WMLDXEAASA-N 2 2 301.459 3.143 20 0 DGADLP Fc1cc(C[NH2+]Cc2[nH]nc3ccccc32)ccc1-n1cc[nH+]c1 ZINC000589644280 400316791 /nfs/dbraw/zinc/31/67/91/400316791.db2.gz KONAVBWYODFTTR-UHFFFAOYSA-N 2 2 321.359 3.178 20 0 DGADLP Brc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083254 400484344 /nfs/dbraw/zinc/48/43/44/400484344.db2.gz STTRFYWMBNHFAB-AWEZNQCLSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083254 400484349 /nfs/dbraw/zinc/48/43/49/400484349.db2.gz STTRFYWMBNHFAB-AWEZNQCLSA-N 2 2 320.234 3.483 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591869293 400568302 /nfs/dbraw/zinc/56/83/02/400568302.db2.gz OTNZBDDVIIAMBB-AWEZNQCLSA-N 2 2 307.344 3.322 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000591866949 400568431 /nfs/dbraw/zinc/56/84/31/400568431.db2.gz KXSROCKMZHIJKB-KRWDZBQOSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000591866949 400568432 /nfs/dbraw/zinc/56/84/32/400568432.db2.gz KXSROCKMZHIJKB-KRWDZBQOSA-N 2 2 308.385 3.375 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000075766503 400611213 /nfs/dbraw/zinc/61/12/13/400611213.db2.gz JJCPBWFBGRVEAA-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000075766503 400611221 /nfs/dbraw/zinc/61/12/21/400611221.db2.gz JJCPBWFBGRVEAA-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccccc1-c1cnc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000075766503 400611224 /nfs/dbraw/zinc/61/12/24/400611224.db2.gz JJCPBWFBGRVEAA-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccccc1-c1cnc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000075766503 400611233 /nfs/dbraw/zinc/61/12/33/400611233.db2.gz JJCPBWFBGRVEAA-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Clc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000075774346 400611777 /nfs/dbraw/zinc/61/17/77/400611777.db2.gz WMCRBRCGWVSHFM-UHFFFAOYSA-N 2 2 301.777 3.468 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389650 400772150 /nfs/dbraw/zinc/77/21/50/400772150.db2.gz MSYSYQIAPFOBMI-YJBOKZPZSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389650 400772159 /nfs/dbraw/zinc/77/21/59/400772159.db2.gz MSYSYQIAPFOBMI-YJBOKZPZSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000358150753 285983383 /nfs/dbraw/zinc/98/33/83/285983383.db2.gz GWRWYAPTGRGQLV-QAPCUYQASA-N 2 2 302.462 3.109 20 0 DGADLP Fc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000078887928 400831466 /nfs/dbraw/zinc/83/14/66/400831466.db2.gz OYBPIWFCGBTXSP-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP Cc1cccn2c(C[NH2+][C@](C)(CO)C3CCCCC3)c[nH+]c12 ZINC000174420480 400856175 /nfs/dbraw/zinc/85/61/75/400856175.db2.gz LMAJYQZPJHZTKE-GOSISDBHSA-N 2 2 301.434 3.064 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000629515961 400953926 /nfs/dbraw/zinc/95/39/26/400953926.db2.gz WYKDAVACEMMGEM-UHFFFAOYSA-N 2 2 301.478 3.477 20 0 DGADLP COC(=O)CC1CCC([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000599022241 400929317 /nfs/dbraw/zinc/92/93/17/400929317.db2.gz PDCAPHVNAXDIJU-VJFUWPCTSA-N 2 2 318.461 3.001 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C[NH2+]1 ZINC000629542275 400967216 /nfs/dbraw/zinc/96/72/16/400967216.db2.gz CTCMAQHZCCCUCE-RIEGTJTDSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C[NH2+]1 ZINC000629542276 400967830 /nfs/dbraw/zinc/96/78/30/400967830.db2.gz CTCMAQHZCCCUCE-WDBKCZKBSA-N 2 2 309.251 3.167 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629561295 400975380 /nfs/dbraw/zinc/97/53/80/400975380.db2.gz HOFQGDYRAFDHIC-GHMZBOCLSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629561295 400975387 /nfs/dbraw/zinc/97/53/87/400975387.db2.gz HOFQGDYRAFDHIC-GHMZBOCLSA-N 2 2 324.749 3.438 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562091 400977842 /nfs/dbraw/zinc/97/78/42/400977842.db2.gz MPHSORPBPTZOEX-GBIKHYSHSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562091 400977849 /nfs/dbraw/zinc/97/78/49/400977849.db2.gz MPHSORPBPTZOEX-GBIKHYSHSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561720 400977970 /nfs/dbraw/zinc/97/79/70/400977970.db2.gz YLJIZRVILIOATP-CMPLNLGQSA-N 2 2 322.758 3.005 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561720 400977977 /nfs/dbraw/zinc/97/79/77/400977977.db2.gz YLJIZRVILIOATP-CMPLNLGQSA-N 2 2 322.758 3.005 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccsc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566129 400979246 /nfs/dbraw/zinc/97/92/46/400979246.db2.gz YMBAJSXLNCYJFZ-UWVGGRQHSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566129 400979250 /nfs/dbraw/zinc/97/92/50/400979250.db2.gz YMBAJSXLNCYJFZ-UWVGGRQHSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629567703 400979527 /nfs/dbraw/zinc/97/95/27/400979527.db2.gz QDOBOEAWWNNMRX-WCQYABFASA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629567703 400979532 /nfs/dbraw/zinc/97/95/32/400979532.db2.gz QDOBOEAWWNNMRX-WCQYABFASA-N 2 2 306.759 3.299 20 0 DGADLP CN(C)CC[NH2+]Cc1ccc(-c2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000629709448 401053288 /nfs/dbraw/zinc/05/32/88/401053288.db2.gz XSKILVCDJOPCEW-UHFFFAOYSA-N 2 2 320.440 3.395 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000248545534 401072117 /nfs/dbraw/zinc/07/21/17/401072117.db2.gz FDKGZANUKCRPFW-JSJNYSNDSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000248545534 401072120 /nfs/dbraw/zinc/07/21/20/401072120.db2.gz FDKGZANUKCRPFW-JSJNYSNDSA-N 2 2 316.489 3.443 20 0 DGADLP CN(C)c1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000607724199 401108736 /nfs/dbraw/zinc/10/87/36/401108736.db2.gz AHNVQZPBYVWTNZ-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc3c[nH]nc32)c[nH+]1 ZINC000084013959 401125937 /nfs/dbraw/zinc/12/59/37/401125937.db2.gz LGKKMSNZZIPJSU-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP C[N@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CCC1 ZINC000629952507 401131629 /nfs/dbraw/zinc/13/16/29/401131629.db2.gz DYIBEFNXAIQSQW-UHFFFAOYSA-N 2 2 311.385 3.297 20 0 DGADLP C[N@@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CCC1 ZINC000629952507 401131634 /nfs/dbraw/zinc/13/16/34/401131634.db2.gz DYIBEFNXAIQSQW-UHFFFAOYSA-N 2 2 311.385 3.297 20 0 DGADLP CCCCOc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OCC ZINC000060831275 401135703 /nfs/dbraw/zinc/13/57/03/401135703.db2.gz JDUIASKLJXTLDA-UHFFFAOYSA-N 2 2 317.433 3.251 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279827 286003677 /nfs/dbraw/zinc/00/36/77/286003677.db2.gz XDMJSKJKLPNZIS-BPQIPLTHSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279827 286003678 /nfs/dbraw/zinc/00/36/78/286003678.db2.gz XDMJSKJKLPNZIS-BPQIPLTHSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279827 286003680 /nfs/dbraw/zinc/00/36/80/286003680.db2.gz XDMJSKJKLPNZIS-BPQIPLTHSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279827 286003681 /nfs/dbraw/zinc/00/36/81/286003681.db2.gz XDMJSKJKLPNZIS-BPQIPLTHSA-N 2 2 322.880 3.444 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000594748795 401168521 /nfs/dbraw/zinc/16/85/21/401168521.db2.gz MVAJBWGVRHLCOO-CQSZACIVSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000594748795 401168523 /nfs/dbraw/zinc/16/85/23/401168523.db2.gz MVAJBWGVRHLCOO-CQSZACIVSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000594745918 401168616 /nfs/dbraw/zinc/16/86/16/401168616.db2.gz NEGGQUFDNLZASV-LJQANCHMSA-N 2 2 304.478 3.098 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000594745918 401168619 /nfs/dbraw/zinc/16/86/19/401168619.db2.gz NEGGQUFDNLZASV-LJQANCHMSA-N 2 2 304.478 3.098 20 0 DGADLP CCOc1cncc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000621328343 401167358 /nfs/dbraw/zinc/16/73/58/401167358.db2.gz OTEJNRWUXUMSAY-UHFFFAOYSA-N 2 2 322.412 3.015 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000358288884 286021454 /nfs/dbraw/zinc/02/14/54/286021454.db2.gz BZZAJIILJHCYHW-JLSDUUJJSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000358288884 286021456 /nfs/dbraw/zinc/02/14/56/286021456.db2.gz BZZAJIILJHCYHW-JLSDUUJJSA-N 2 2 316.493 3.420 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCOC1 ZINC000358342684 286036735 /nfs/dbraw/zinc/03/67/35/286036735.db2.gz QKJUJAZTLAGOAK-IEZWGBDMSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000090721922 401272538 /nfs/dbraw/zinc/27/25/38/401272538.db2.gz BIYQTENVDMMDBA-DOTOQJQBSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000090721922 401272543 /nfs/dbraw/zinc/27/25/43/401272543.db2.gz BIYQTENVDMMDBA-DOTOQJQBSA-N 2 2 313.420 3.363 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000090718092 401272842 /nfs/dbraw/zinc/27/28/42/401272842.db2.gz VLKOEWGQOTUNBT-SFHVURJKSA-N 2 2 322.880 3.319 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000621726491 401285668 /nfs/dbraw/zinc/28/56/68/401285668.db2.gz YUEZCQSRWFNDMD-INIZCTEOSA-N 2 2 322.518 3.245 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000621726491 401285671 /nfs/dbraw/zinc/28/56/71/401285671.db2.gz YUEZCQSRWFNDMD-INIZCTEOSA-N 2 2 322.518 3.245 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000089587501 401226802 /nfs/dbraw/zinc/22/68/02/401226802.db2.gz VFLCWGNRFTUOFC-FPOVZHCZSA-N 2 2 321.468 3.439 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342864 401228957 /nfs/dbraw/zinc/22/89/57/401228957.db2.gz IRFUAZZOKCABAS-NSPNGIHDSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342864 401228962 /nfs/dbraw/zinc/22/89/62/401228962.db2.gz IRFUAZZOKCABAS-NSPNGIHDSA-N 2 2 316.489 3.353 20 0 DGADLP CCC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000090047498 401250681 /nfs/dbraw/zinc/25/06/81/401250681.db2.gz BMGHHJDQGSILFV-LPHOPBHVSA-N 2 2 320.477 3.237 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000090048151 401250750 /nfs/dbraw/zinc/25/07/50/401250750.db2.gz CZLUFLXGMADJOJ-XJKSGUPXSA-N 2 2 324.465 3.063 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683313 401334035 /nfs/dbraw/zinc/33/40/35/401334035.db2.gz ONEMQRJHUYBNCC-OALUTQOASA-N 2 2 316.489 3.444 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683313 401334036 /nfs/dbraw/zinc/33/40/36/401334036.db2.gz ONEMQRJHUYBNCC-OALUTQOASA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686547 401334777 /nfs/dbraw/zinc/33/47/77/401334777.db2.gz MSJHPTYWCNMOKS-MSOLQXFVSA-N 2 2 302.462 3.117 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686547 401334779 /nfs/dbraw/zinc/33/47/79/401334779.db2.gz MSJHPTYWCNMOKS-MSOLQXFVSA-N 2 2 302.462 3.117 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004810 401334891 /nfs/dbraw/zinc/33/48/91/401334891.db2.gz VGPBBWONXZVLOO-KBXCAEBGSA-N 2 2 319.880 3.253 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004810 401334892 /nfs/dbraw/zinc/33/48/92/401334892.db2.gz VGPBBWONXZVLOO-KBXCAEBGSA-N 2 2 319.880 3.253 20 0 DGADLP COc1c(C)c[nH+]c(CN2CC[C@@H](C[NH3+])c3ccccc32)c1C ZINC000634690319 401335914 /nfs/dbraw/zinc/33/59/14/401335914.db2.gz IPOUBJZMTWXEIM-HNNXBMFYSA-N 2 2 311.429 3.160 20 0 DGADLP CCc1noc([C@@H](C)[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062490 401291903 /nfs/dbraw/zinc/29/19/03/401291903.db2.gz UIDHTDZQRIMUJU-CQSZACIVSA-N 2 2 316.449 3.277 20 0 DGADLP CCc1noc([C@@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062490 401291907 /nfs/dbraw/zinc/29/19/07/401291907.db2.gz UIDHTDZQRIMUJU-CQSZACIVSA-N 2 2 316.449 3.277 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781557 401299255 /nfs/dbraw/zinc/29/92/55/401299255.db2.gz GHCLOEFGSQRTGT-DYVFJYSZSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781557 401299259 /nfs/dbraw/zinc/29/92/59/401299259.db2.gz GHCLOEFGSQRTGT-DYVFJYSZSA-N 2 2 301.821 3.201 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634952683 401387534 /nfs/dbraw/zinc/38/75/34/401387534.db2.gz GFUJLUUAXDTVRF-IYBDPMFKSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634952683 401387537 /nfs/dbraw/zinc/38/75/37/401387537.db2.gz GFUJLUUAXDTVRF-IYBDPMFKSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000635013728 401404309 /nfs/dbraw/zinc/40/43/09/401404309.db2.gz VMMXUHSDRLHJPR-JJMVLAAESA-N 2 2 309.369 3.329 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258586 401440098 /nfs/dbraw/zinc/44/00/98/401440098.db2.gz BGCZDTJSLKYCSE-OGWHTMIXSA-N 2 2 302.462 3.115 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258586 401440099 /nfs/dbraw/zinc/44/00/99/401440099.db2.gz BGCZDTJSLKYCSE-OGWHTMIXSA-N 2 2 302.462 3.115 20 0 DGADLP C[NH+](C)CC1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC1 ZINC000635472107 401446784 /nfs/dbraw/zinc/44/67/84/401446784.db2.gz OILOCDWKQKIJNJ-UHFFFAOYSA-N 2 2 312.417 3.111 20 0 DGADLP Cc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)ccc1F ZINC000623089084 401462849 /nfs/dbraw/zinc/46/28/49/401462849.db2.gz UAWUQOOFTXRLTA-UHFFFAOYSA-N 2 2 300.368 3.201 20 0 DGADLP CCc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)s1 ZINC000623089165 401463088 /nfs/dbraw/zinc/46/30/88/401463088.db2.gz XVCXSBOMXVOBOI-UHFFFAOYSA-N 2 2 302.434 3.377 20 0 DGADLP CCOc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088807 401463111 /nfs/dbraw/zinc/46/31/11/401463111.db2.gz FYBQZHCSDJWJGP-UHFFFAOYSA-N 2 2 312.404 3.152 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4ncccc43)CC2)nc1 ZINC000631568637 401500700 /nfs/dbraw/zinc/50/07/00/401500700.db2.gz BCCRCHOBXJVTGW-FQEVSTJZSA-N 2 2 322.456 3.108 20 0 DGADLP C[C@@H](C[NH2+]Cc1csc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000623381244 401504454 /nfs/dbraw/zinc/50/44/54/401504454.db2.gz JCOSMRCOGVASNO-JTQLQIEISA-N 2 2 303.353 3.389 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623384273 401505056 /nfs/dbraw/zinc/50/50/56/401505056.db2.gz VFMKPCWMPAFZQI-VIFPVBQESA-N 2 2 321.209 3.157 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663704 401528288 /nfs/dbraw/zinc/52/82/88/401528288.db2.gz KMFPOTCSLPVVTG-VDZJLULYSA-N 2 2 324.472 3.204 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663704 401528290 /nfs/dbraw/zinc/52/82/90/401528290.db2.gz KMFPOTCSLPVVTG-VDZJLULYSA-N 2 2 324.472 3.204 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]c1C ZINC000628156708 401537457 /nfs/dbraw/zinc/53/74/57/401537457.db2.gz ZSULMPWDTZBKOT-PBHICJAKSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]c1C ZINC000628156708 401537460 /nfs/dbraw/zinc/53/74/60/401537460.db2.gz ZSULMPWDTZBKOT-PBHICJAKSA-N 2 2 304.482 3.113 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892676 401595129 /nfs/dbraw/zinc/59/51/29/401595129.db2.gz WWGOSXUZQCOKNK-RDJZCZTQSA-N 2 2 309.523 3.042 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892676 401595131 /nfs/dbraw/zinc/59/51/31/401595131.db2.gz WWGOSXUZQCOKNK-RDJZCZTQSA-N 2 2 309.523 3.042 20 0 DGADLP c1nc(C2CC2)oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000628190437 401546325 /nfs/dbraw/zinc/54/63/25/401546325.db2.gz GDJOIZKAFIOHAN-RHSMWYFYSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000628190437 401546329 /nfs/dbraw/zinc/54/63/29/401546329.db2.gz GDJOIZKAFIOHAN-RHSMWYFYSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000628190437 401546332 /nfs/dbraw/zinc/54/63/32/401546332.db2.gz GDJOIZKAFIOHAN-RHSMWYFYSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000628190437 401546336 /nfs/dbraw/zinc/54/63/36/401546336.db2.gz GDJOIZKAFIOHAN-RHSMWYFYSA-N 2 2 301.434 3.001 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229531 401554748 /nfs/dbraw/zinc/55/47/48/401554748.db2.gz YMAGAUHQBVCZCR-WBMJQRKESA-N 2 2 312.379 3.320 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229531 401554751 /nfs/dbraw/zinc/55/47/51/401554751.db2.gz YMAGAUHQBVCZCR-WBMJQRKESA-N 2 2 312.379 3.320 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239490 401557894 /nfs/dbraw/zinc/55/78/94/401557894.db2.gz TUFBYJBLHXNMFO-MGPUTAFESA-N 2 2 320.440 3.173 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239490 401557897 /nfs/dbraw/zinc/55/78/97/401557897.db2.gz TUFBYJBLHXNMFO-MGPUTAFESA-N 2 2 320.440 3.173 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])co2)c1 ZINC000631826299 401559744 /nfs/dbraw/zinc/55/97/44/401559744.db2.gz KALVXRYEDIOJOK-MRXNPFEDSA-N 2 2 315.417 3.054 20 0 DGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])co2)c1 ZINC000631826299 401559746 /nfs/dbraw/zinc/55/97/46/401559746.db2.gz KALVXRYEDIOJOK-MRXNPFEDSA-N 2 2 315.417 3.054 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000631839436 401560921 /nfs/dbraw/zinc/56/09/21/401560921.db2.gz GJLRQTWZWUBSGQ-WCQYABFASA-N 2 2 321.877 3.490 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000631839436 401560924 /nfs/dbraw/zinc/56/09/24/401560924.db2.gz GJLRQTWZWUBSGQ-WCQYABFASA-N 2 2 321.877 3.490 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H](C)c1nc2ccccc2s1 ZINC000624100834 401626084 /nfs/dbraw/zinc/62/60/84/401626084.db2.gz MMGZHVCHABNLBJ-MGPQQGTHSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H](C)c1nc2ccccc2s1 ZINC000624100834 401626087 /nfs/dbraw/zinc/62/60/87/401626087.db2.gz MMGZHVCHABNLBJ-MGPQQGTHSA-N 2 2 303.475 3.472 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122935 401628976 /nfs/dbraw/zinc/62/89/76/401628976.db2.gz BHMJPBZZJIIURY-BXUZGUMPSA-N 2 2 312.379 3.413 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122935 401628977 /nfs/dbraw/zinc/62/89/77/401628977.db2.gz BHMJPBZZJIIURY-BXUZGUMPSA-N 2 2 312.379 3.413 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230940 401641956 /nfs/dbraw/zinc/64/19/56/401641956.db2.gz LHWMNKUTUGXFQI-KBAYOESNSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230940 401641959 /nfs/dbraw/zinc/64/19/59/401641959.db2.gz LHWMNKUTUGXFQI-KBAYOESNSA-N 2 2 322.880 3.022 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000624256136 401644384 /nfs/dbraw/zinc/64/43/84/401644384.db2.gz CCCUUDIZPPFDPM-MRXNPFEDSA-N 2 2 320.452 3.464 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000624256253 401644416 /nfs/dbraw/zinc/64/44/16/401644416.db2.gz JKFMYPBYWMXTSM-INIZCTEOSA-N 2 2 320.452 3.464 20 0 DGADLP Fc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc(C(F)(F)F)c1 ZINC000629386111 401683385 /nfs/dbraw/zinc/68/33/85/401683385.db2.gz LURSUPYSPCXIFF-ZDUSSCGKSA-N 2 2 302.315 3.219 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449398536 292215662 /nfs/dbraw/zinc/21/56/62/292215662.db2.gz VIGGDYGJNAGPFT-HSALFYBXSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449398536 292215663 /nfs/dbraw/zinc/21/56/63/292215663.db2.gz VIGGDYGJNAGPFT-HSALFYBXSA-N 2 2 316.489 3.068 20 0 DGADLP CC(C)c1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc[nH+]1 ZINC000358800787 286157216 /nfs/dbraw/zinc/15/72/16/286157216.db2.gz BGNGAAOYWOORPQ-OAHLLOKOSA-N 2 2 314.433 3.254 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000358818860 286160837 /nfs/dbraw/zinc/16/08/37/286160837.db2.gz DMVUNPYITZXRDG-KDOFPFPSSA-N 2 2 305.441 3.353 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000358994050 286209078 /nfs/dbraw/zinc/20/90/78/286209078.db2.gz BGIHXAUYHATINY-SUMWQHHRSA-N 2 2 305.372 3.463 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000359117270 286241106 /nfs/dbraw/zinc/24/11/06/286241106.db2.gz SHBDEQFVVBZTPE-GTAWCEEGSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359117270 286241108 /nfs/dbraw/zinc/24/11/08/286241108.db2.gz SHBDEQFVVBZTPE-GTAWCEEGSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000359293691 286277091 /nfs/dbraw/zinc/27/70/91/286277091.db2.gz TVBDSBITNJWEBX-VXGBXAGGSA-N 2 2 317.824 3.163 20 0 DGADLP Cn1cc[nH+]c1CNc1cc[nH+]c2c(Br)cccc12 ZINC000359485286 286318225 /nfs/dbraw/zinc/31/82/25/286318225.db2.gz YROHOXPSUBSYPB-UHFFFAOYSA-N 2 2 317.190 3.343 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000359500118 286321276 /nfs/dbraw/zinc/32/12/76/286321276.db2.gz FYJBJZCUZOOKHW-NVXWUHKLSA-N 2 2 320.477 3.240 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000359500114 286321283 /nfs/dbraw/zinc/32/12/83/286321283.db2.gz FYJBJZCUZOOKHW-DOTOQJQBSA-N 2 2 320.477 3.240 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000359529988 286328129 /nfs/dbraw/zinc/32/81/29/286328129.db2.gz YYALLTHAWRVLIJ-DLBZAZTESA-N 2 2 320.477 3.093 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359529988 286328130 /nfs/dbraw/zinc/32/81/30/286328130.db2.gz YYALLTHAWRVLIJ-DLBZAZTESA-N 2 2 320.477 3.093 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000359519544 286325263 /nfs/dbraw/zinc/32/52/63/286325263.db2.gz BAAZXTMGOANOJB-ZBFHGGJFSA-N 2 2 308.491 3.072 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)C[C@H](C)O1 ZINC000359663830 286356730 /nfs/dbraw/zinc/35/67/30/286356730.db2.gz OGCLOIQRMBXBAV-HLLBOEOZSA-N 2 2 320.477 3.382 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)C[C@H](C)O1 ZINC000359663830 286356732 /nfs/dbraw/zinc/35/67/32/286356732.db2.gz OGCLOIQRMBXBAV-HLLBOEOZSA-N 2 2 320.477 3.382 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)C[C@@H](C)O1 ZINC000359677559 286359196 /nfs/dbraw/zinc/35/91/96/286359196.db2.gz MOVDUTJTWJZKID-LBTNJELSSA-N 2 2 322.880 3.416 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000359952870 286396135 /nfs/dbraw/zinc/39/61/35/286396135.db2.gz QVEKNVFYDIMMDV-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)COC2 ZINC000360044492 286413680 /nfs/dbraw/zinc/41/36/80/286413680.db2.gz FQGOLSDDIVUDJJ-AWEZNQCLSA-N 2 2 311.429 3.143 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(Br)o1)C[NH+]1CCCC1 ZINC000360180059 286437247 /nfs/dbraw/zinc/43/72/47/286437247.db2.gz FPEXFUNWLJQHJA-UHFFFAOYSA-N 2 2 315.255 3.254 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cnc4ccccn34)CC2)c[nH+]1 ZINC000361062496 286588167 /nfs/dbraw/zinc/58/81/67/286588167.db2.gz MFHGYUMLIIHJOV-UHFFFAOYSA-N 2 2 323.444 3.223 20 0 DGADLP Cc1nc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000361160855 286613369 /nfs/dbraw/zinc/61/33/69/286613369.db2.gz CPYWUCFEVXRWIC-INIZCTEOSA-N 2 2 316.836 3.109 20 0 DGADLP COCCC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000178682485 292377540 /nfs/dbraw/zinc/37/75/40/292377540.db2.gz UWSRGCZMOZSWDT-MRXNPFEDSA-N 2 2 304.478 3.228 20 0 DGADLP COCCC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178682485 292377541 /nfs/dbraw/zinc/37/75/41/292377541.db2.gz UWSRGCZMOZSWDT-MRXNPFEDSA-N 2 2 304.478 3.228 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)n1 ZINC000361494130 286680441 /nfs/dbraw/zinc/68/04/41/286680441.db2.gz XCWKLHNOLKJAAL-ZDUSSCGKSA-N 2 2 307.401 3.130 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCCCc2ccccc21)C[NH+]1CCOCC1 ZINC000361882012 286738626 /nfs/dbraw/zinc/73/86/26/286738626.db2.gz YFOVIYSFKBNNOK-APWZRJJASA-N 2 2 302.462 3.012 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccccc1F)CCC2 ZINC000364154765 286994172 /nfs/dbraw/zinc/99/41/72/286994172.db2.gz HFNRVUFBCXOKPC-CZUORRHYSA-N 2 2 301.409 3.429 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCCCC[NH2+]1 ZINC000364480051 287031857 /nfs/dbraw/zinc/03/18/57/287031857.db2.gz GWJHALOKIDXROO-QGZVFWFLSA-N 2 2 311.385 3.345 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000364799684 287062260 /nfs/dbraw/zinc/06/22/60/287062260.db2.gz MXRRFFWPRXUAIY-UHFFFAOYSA-N 2 2 313.445 3.426 20 0 DGADLP COc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1F ZINC000192672943 165300972 /nfs/dbraw/zinc/30/09/72/165300972.db2.gz ZSQQJHRHJUEBRA-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP O=C(c1ccccc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193466309 165326562 /nfs/dbraw/zinc/32/65/62/165326562.db2.gz LKPJPNOEFOLIJW-UHFFFAOYSA-N 2 2 314.473 3.457 20 0 DGADLP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000193806489 165333233 /nfs/dbraw/zinc/33/32/33/165333233.db2.gz MXQITXWJAYNVGO-WBVHZDCISA-N 2 2 319.518 3.167 20 0 DGADLP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000193806489 165333236 /nfs/dbraw/zinc/33/32/36/165333236.db2.gz MXQITXWJAYNVGO-WBVHZDCISA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000262095811 165786796 /nfs/dbraw/zinc/78/67/96/165786796.db2.gz IJGPVWWFWCJACF-GWFLUQINSA-N 2 2 302.462 3.069 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CCC2 ZINC000365872993 287182920 /nfs/dbraw/zinc/18/29/20/287182920.db2.gz LBVRGLSXUBUNAN-QBPKDAKJSA-N 2 2 315.461 3.006 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129165502 196026082 /nfs/dbraw/zinc/02/60/82/196026082.db2.gz ZVDLELRJLTUILK-HUUCEWRRSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129165502 196026084 /nfs/dbraw/zinc/02/60/84/196026084.db2.gz ZVDLELRJLTUILK-HUUCEWRRSA-N 2 2 308.853 3.055 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC000171612719 432152618 /nfs/dbraw/zinc/15/26/18/432152618.db2.gz LRNJMYUYJNWROA-AWEZNQCLSA-N 2 2 315.392 3.113 20 0 DGADLP Fc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000129418090 196046485 /nfs/dbraw/zinc/04/64/85/196046485.db2.gz JPNGEQQQMAKXLU-UHFFFAOYSA-N 2 2 301.287 3.221 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000136671077 432159307 /nfs/dbraw/zinc/15/93/07/432159307.db2.gz DZIMNZSVFNYLPP-UHOSZYNNSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136671077 432159310 /nfs/dbraw/zinc/15/93/10/432159310.db2.gz DZIMNZSVFNYLPP-UHOSZYNNSA-N 2 2 316.489 3.444 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2cn1 ZINC000269431502 432173083 /nfs/dbraw/zinc/17/30/83/432173083.db2.gz PREZZIUXYROGRN-RDTXWAMCSA-N 2 2 308.429 3.083 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2cn1 ZINC000269431502 432173087 /nfs/dbraw/zinc/17/30/87/432173087.db2.gz PREZZIUXYROGRN-RDTXWAMCSA-N 2 2 308.429 3.083 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cs1 ZINC000269451839 432175057 /nfs/dbraw/zinc/17/50/57/432175057.db2.gz WCVJNMHIXWPZMJ-LLVKDONJSA-N 2 2 313.430 3.191 20 0 DGADLP Brc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780608 432192321 /nfs/dbraw/zinc/19/23/21/432192321.db2.gz BLHUTLBDKHMXJT-CQSZACIVSA-N 2 2 323.278 3.367 20 0 DGADLP Brc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780608 432192325 /nfs/dbraw/zinc/19/23/25/432192325.db2.gz BLHUTLBDKHMXJT-CQSZACIVSA-N 2 2 323.278 3.367 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1sccc1Br ZINC000147961070 432186905 /nfs/dbraw/zinc/18/69/05/432186905.db2.gz UHADLUATXQWSFW-JFGNBEQYSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1sccc1Br ZINC000147961070 432186908 /nfs/dbraw/zinc/18/69/08/432186908.db2.gz UHADLUATXQWSFW-JFGNBEQYSA-N 2 2 317.296 3.329 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)c2cc(C)[nH+]c(C3CC3)n2)c1C ZINC000172014776 432191135 /nfs/dbraw/zinc/19/11/35/432191135.db2.gz LFSNJEXTJHCZMT-UHFFFAOYSA-N 2 2 312.417 3.319 20 0 DGADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000182355804 432182916 /nfs/dbraw/zinc/18/29/16/432182916.db2.gz FTOGDUVDGCPQAR-MRXNPFEDSA-N 2 2 318.436 3.206 20 0 DGADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000182355804 432182922 /nfs/dbraw/zinc/18/29/22/432182922.db2.gz FTOGDUVDGCPQAR-MRXNPFEDSA-N 2 2 318.436 3.206 20 0 DGADLP c1c(CC[NH2+][C@H](Cc2ccccc2)C2CC2)[nH+]c2ccccn12 ZINC000130557472 196091017 /nfs/dbraw/zinc/09/10/17/196091017.db2.gz RLFQAWKOJIYIRT-LJQANCHMSA-N 2 2 305.425 3.488 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000130562632 196091958 /nfs/dbraw/zinc/09/19/58/196091958.db2.gz JDYTVFYXDJJNQJ-CYBMUJFWSA-N 2 2 313.376 3.375 20 0 DGADLP Cc1cccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000130704187 196102680 /nfs/dbraw/zinc/10/26/80/196102680.db2.gz NRSOYFHADTURJN-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885604 196119537 /nfs/dbraw/zinc/11/95/37/196119537.db2.gz PCPVFDXEPTYOSX-CYBMUJFWSA-N 2 2 300.368 3.410 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885604 196119539 /nfs/dbraw/zinc/11/95/39/196119539.db2.gz PCPVFDXEPTYOSX-CYBMUJFWSA-N 2 2 300.368 3.410 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885604 196119540 /nfs/dbraw/zinc/11/95/40/196119540.db2.gz PCPVFDXEPTYOSX-CYBMUJFWSA-N 2 2 300.368 3.410 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000130885604 196119542 /nfs/dbraw/zinc/11/95/42/196119542.db2.gz PCPVFDXEPTYOSX-CYBMUJFWSA-N 2 2 300.368 3.410 20 0 DGADLP C[N@H+](CCCc1cc(-c2ccccc2)no1)CCn1cc[nH+]c1 ZINC000131007450 196131984 /nfs/dbraw/zinc/13/19/84/196131984.db2.gz TZAWBALTYRJDMB-UHFFFAOYSA-N 2 2 310.401 3.103 20 0 DGADLP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCn1cc[nH+]c1 ZINC000131007450 196131986 /nfs/dbraw/zinc/13/19/86/196131986.db2.gz TZAWBALTYRJDMB-UHFFFAOYSA-N 2 2 310.401 3.103 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000247204486 432211461 /nfs/dbraw/zinc/21/14/61/432211461.db2.gz WMOAAYAPROPMFZ-JKSUJKDBSA-N 2 2 314.429 3.351 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000247204486 432211463 /nfs/dbraw/zinc/21/14/63/432211463.db2.gz WMOAAYAPROPMFZ-JKSUJKDBSA-N 2 2 314.429 3.351 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3occc32)cn1 ZINC000190934081 432203872 /nfs/dbraw/zinc/20/38/72/432203872.db2.gz KIBNRWLLRFSCSX-MRXNPFEDSA-N 2 2 308.385 3.336 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247120261 432204390 /nfs/dbraw/zinc/20/43/90/432204390.db2.gz AKUVGZILUKAXEY-MSOLQXFVSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247120261 432204391 /nfs/dbraw/zinc/20/43/91/432204391.db2.gz AKUVGZILUKAXEY-MSOLQXFVSA-N 2 2 302.462 3.100 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000151125762 432222344 /nfs/dbraw/zinc/22/23/44/432222344.db2.gz QSZDUTSEFZJZKI-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000151125762 432222351 /nfs/dbraw/zinc/22/23/51/432222351.db2.gz QSZDUTSEFZJZKI-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610605 196184580 /nfs/dbraw/zinc/18/45/80/196184580.db2.gz NRJXLKIBYKAGTB-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610605 196184581 /nfs/dbraw/zinc/18/45/81/196184581.db2.gz NRJXLKIBYKAGTB-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000132853188 196290693 /nfs/dbraw/zinc/29/06/93/196290693.db2.gz BUUFJPOURXJDST-KBPBESRZSA-N 2 2 324.415 3.116 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422881907 298963629 /nfs/dbraw/zinc/96/36/29/298963629.db2.gz RDYMYRVNUDKVFU-YZVOILCLSA-N 2 2 322.456 3.378 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295925810 225385080 /nfs/dbraw/zinc/38/50/80/225385080.db2.gz FINUDRALHJXWRM-BHIYHBOVSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000295925810 225385084 /nfs/dbraw/zinc/38/50/84/225385084.db2.gz FINUDRALHJXWRM-BHIYHBOVSA-N 2 2 314.473 3.341 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295866295 225326937 /nfs/dbraw/zinc/32/69/37/225326937.db2.gz XCEUIXFNPDJCBK-RTBURBONSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295866295 225326942 /nfs/dbraw/zinc/32/69/42/225326942.db2.gz XCEUIXFNPDJCBK-RTBURBONSA-N 2 2 314.473 3.342 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000290307806 221562009 /nfs/dbraw/zinc/56/20/09/221562009.db2.gz ZLBHPGNHXGSVFY-ZIAGYGMSSA-N 2 2 310.869 3.317 20 0 DGADLP OCCCCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000291069648 222114755 /nfs/dbraw/zinc/11/47/55/222114755.db2.gz DZVPYDPXYBVDEH-UHFFFAOYSA-N 2 2 324.896 3.447 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000130617785 292638133 /nfs/dbraw/zinc/63/81/33/292638133.db2.gz YZAZSQWWEITGAG-UHFFFAOYSA-N 2 2 314.477 3.211 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)c(F)c1 ZINC000130989480 292645176 /nfs/dbraw/zinc/64/51/76/292645176.db2.gz DRNVDPRLQYFOBI-SNVBAGLBSA-N 2 2 312.186 3.136 20 0 DGADLP c1ccc(C[NH+]2CCCC2)c(CNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000413043080 230117257 /nfs/dbraw/zinc/11/72/57/230117257.db2.gz VVXRNTMRDKBVRI-UHFFFAOYSA-N 2 2 323.444 3.259 20 0 DGADLP c1ccc(C[NH+]2CCCC2)c(CNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000413043080 230117261 /nfs/dbraw/zinc/11/72/61/230117261.db2.gz VVXRNTMRDKBVRI-UHFFFAOYSA-N 2 2 323.444 3.259 20 0 DGADLP c1cc(CNc2cc(NC3CC3)[nH+]cn2)cc(C[NH+]2CCCC2)c1 ZINC000413048619 230119485 /nfs/dbraw/zinc/11/94/85/230119485.db2.gz IARJSVDXNNPPMV-UHFFFAOYSA-N 2 2 323.444 3.259 20 0 DGADLP c1cc(CNc2cc(NC3CC3)nc[nH+]2)cc(C[NH+]2CCCC2)c1 ZINC000413048619 230119490 /nfs/dbraw/zinc/11/94/90/230119490.db2.gz IARJSVDXNNPPMV-UHFFFAOYSA-N 2 2 323.444 3.259 20 0 DGADLP Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000302177995 230143961 /nfs/dbraw/zinc/14/39/61/230143961.db2.gz PCUJIOXXYKLLLC-SCLBCKFNSA-N 2 2 310.445 3.334 20 0 DGADLP Cc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000302177995 230143963 /nfs/dbraw/zinc/14/39/63/230143963.db2.gz PCUJIOXXYKLLLC-SCLBCKFNSA-N 2 2 310.445 3.334 20 0 DGADLP Brc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000035256102 263513393 /nfs/dbraw/zinc/51/33/93/263513393.db2.gz QWKJMDMOCOEGCZ-UHFFFAOYSA-N 2 2 315.280 3.227 20 0 DGADLP Cc1cccc2[nH+]cc(CN(CCC[NH3+])c3cccc(F)c3)n21 ZINC000346357541 264017598 /nfs/dbraw/zinc/01/75/98/264017598.db2.gz FNZCSZKHHWMQOF-UHFFFAOYSA-N 2 2 312.392 3.137 20 0 DGADLP CC(C)[NH+](CCN(C)Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000346364741 264019037 /nfs/dbraw/zinc/01/90/37/264019037.db2.gz WAUZSMWERLPNOU-UHFFFAOYSA-N 2 2 320.506 3.484 20 0 DGADLP OCCC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000346429571 264030218 /nfs/dbraw/zinc/03/02/18/264030218.db2.gz BIIGVTSQJJGAMG-IBGZPJMESA-N 2 2 316.489 3.183 20 0 DGADLP OCCC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000346429571 264030220 /nfs/dbraw/zinc/03/02/20/264030220.db2.gz BIIGVTSQJJGAMG-IBGZPJMESA-N 2 2 316.489 3.183 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346452582 264034812 /nfs/dbraw/zinc/03/48/12/264034812.db2.gz QZOLMDJQHXXKSY-BHIYHBOVSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346452582 264034813 /nfs/dbraw/zinc/03/48/13/264034813.db2.gz QZOLMDJQHXXKSY-BHIYHBOVSA-N 2 2 304.478 3.038 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462167 264035910 /nfs/dbraw/zinc/03/59/10/264035910.db2.gz OBDPAQYVKWCIHC-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462167 264035912 /nfs/dbraw/zinc/03/59/12/264035912.db2.gz OBDPAQYVKWCIHC-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000346471417 264037565 /nfs/dbraw/zinc/03/75/65/264037565.db2.gz XJPYSXPJZANIAT-SFHVURJKSA-N 2 2 310.376 3.187 20 0 DGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccco2)cc1 ZINC000346476015 264038606 /nfs/dbraw/zinc/03/86/06/264038606.db2.gz CXCGZNJLDCROOV-GOSISDBHSA-N 2 2 300.402 3.061 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CCO)c2ccco2)CC1 ZINC000346530198 264047338 /nfs/dbraw/zinc/04/73/38/264047338.db2.gz RCKKTHUJXTVPPA-KBAYOESNSA-N 2 2 320.477 3.336 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC[N@@H+]1C ZINC000346577760 264058092 /nfs/dbraw/zinc/05/80/92/264058092.db2.gz VRWRHXGKNOLKDC-BJZITVGISA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC[N@H+]1C ZINC000346577760 264058094 /nfs/dbraw/zinc/05/80/94/264058094.db2.gz VRWRHXGKNOLKDC-BJZITVGISA-N 2 2 313.420 3.382 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccco2)cc1 ZINC000346579436 264058287 /nfs/dbraw/zinc/05/82/87/264058287.db2.gz WRZSBGPCZQSZRP-QOKNQOGYSA-N 2 2 314.429 3.450 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccco2)cc1 ZINC000346579436 264058288 /nfs/dbraw/zinc/05/82/88/264058288.db2.gz WRZSBGPCZQSZRP-QOKNQOGYSA-N 2 2 314.429 3.450 20 0 DGADLP Fc1ccccc1COc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000346639406 264070415 /nfs/dbraw/zinc/07/04/15/264070415.db2.gz KFDRONZQLLXVGY-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP Fc1ccccc1COc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000346639406 264070417 /nfs/dbraw/zinc/07/04/17/264070417.db2.gz KFDRONZQLLXVGY-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000346650500 264072813 /nfs/dbraw/zinc/07/28/13/264072813.db2.gz CKUYLOKRHSGQRW-QGZVFWFLSA-N 2 2 311.429 3.366 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000346650500 264072814 /nfs/dbraw/zinc/07/28/14/264072814.db2.gz CKUYLOKRHSGQRW-QGZVFWFLSA-N 2 2 311.429 3.366 20 0 DGADLP [NH3+]C1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000346658644 264074561 /nfs/dbraw/zinc/07/45/61/264074561.db2.gz RVEBRGKMESOEHR-UHFFFAOYSA-N 2 2 307.850 3.387 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000346673031 264078012 /nfs/dbraw/zinc/07/80/12/264078012.db2.gz RLAREIQWWNEPOE-ZFWWWQNUSA-N 2 2 314.424 3.268 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697852 264082256 /nfs/dbraw/zinc/08/22/56/264082256.db2.gz HJXPDPSZWFDZQG-DKKFBQAASA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697852 264082257 /nfs/dbraw/zinc/08/22/57/264082257.db2.gz HJXPDPSZWFDZQG-DKKFBQAASA-N 2 2 304.478 3.036 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822945 264103511 /nfs/dbraw/zinc/10/35/11/264103511.db2.gz JZMXJKBWFWYDSW-KSSFIOAISA-N 2 2 313.445 3.259 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822945 264103514 /nfs/dbraw/zinc/10/35/14/264103514.db2.gz JZMXJKBWFWYDSW-KSSFIOAISA-N 2 2 313.445 3.259 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]12 ZINC000346852200 264108895 /nfs/dbraw/zinc/10/88/95/264108895.db2.gz KDKLWOSXZQGJOC-GAJTVXKRSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]12 ZINC000346852200 264108896 /nfs/dbraw/zinc/10/88/96/264108896.db2.gz KDKLWOSXZQGJOC-GAJTVXKRSA-N 2 2 302.315 3.014 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003414 264137527 /nfs/dbraw/zinc/13/75/27/264137527.db2.gz LFIPASVVHJSIKD-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003414 264137530 /nfs/dbraw/zinc/13/75/30/264137530.db2.gz LFIPASVVHJSIKD-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000347010008 264139031 /nfs/dbraw/zinc/13/90/31/264139031.db2.gz SZBUVNCVENTLQP-CVEARBPZSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000347010008 264139032 /nfs/dbraw/zinc/13/90/32/264139032.db2.gz SZBUVNCVENTLQP-CVEARBPZSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000347011198 264140070 /nfs/dbraw/zinc/14/00/70/264140070.db2.gz UEYGGRAMGAVLQK-XJKSGUPXSA-N 2 2 307.869 3.109 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000347011198 264140073 /nfs/dbraw/zinc/14/00/73/264140073.db2.gz UEYGGRAMGAVLQK-XJKSGUPXSA-N 2 2 307.869 3.109 20 0 DGADLP COc1ccc(-c2nc(C[N@H+](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000347030757 264144107 /nfs/dbraw/zinc/14/41/07/264144107.db2.gz XWPQPGQNLPTAMF-UHFFFAOYSA-N 2 2 317.458 3.003 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000347030757 264144109 /nfs/dbraw/zinc/14/41/09/264144109.db2.gz XWPQPGQNLPTAMF-UHFFFAOYSA-N 2 2 317.458 3.003 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OCC ZINC000347054456 264149290 /nfs/dbraw/zinc/14/92/90/264149290.db2.gz SVDXPIJRRPCFNV-ZBFHGGJFSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OCC ZINC000347054456 264149292 /nfs/dbraw/zinc/14/92/92/264149292.db2.gz SVDXPIJRRPCFNV-ZBFHGGJFSA-N 2 2 306.450 3.186 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H]1C[NH3+] ZINC000347090395 264154726 /nfs/dbraw/zinc/15/47/26/264154726.db2.gz FYUWJDDOOOGCPR-WFASDCNBSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H]1C[NH3+] ZINC000347090395 264154727 /nfs/dbraw/zinc/15/47/27/264154727.db2.gz FYUWJDDOOOGCPR-WFASDCNBSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088525 264155178 /nfs/dbraw/zinc/15/51/78/264155178.db2.gz FGRIUIXUPBMTSC-GXTWGEPZSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088525 264155181 /nfs/dbraw/zinc/15/51/81/264155181.db2.gz FGRIUIXUPBMTSC-GXTWGEPZSA-N 2 2 316.367 3.329 20 0 DGADLP COC1CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000347099863 264156335 /nfs/dbraw/zinc/15/63/35/264156335.db2.gz LYQQZHCQIMFZET-CTWPCTMYSA-N 2 2 302.462 3.227 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347115770 264159826 /nfs/dbraw/zinc/15/98/26/264159826.db2.gz VKMKZFCRRRNCDD-UHFFFAOYSA-N 2 2 310.445 3.041 20 0 DGADLP c1ccc(OCCCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347115895 264159964 /nfs/dbraw/zinc/15/99/64/264159964.db2.gz WFWKYVAEAKFJBH-LJQANCHMSA-N 2 2 312.413 3.394 20 0 DGADLP c1ccc(OCCCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347115895 264159967 /nfs/dbraw/zinc/15/99/67/264159967.db2.gz WFWKYVAEAKFJBH-LJQANCHMSA-N 2 2 312.413 3.394 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OC ZINC000347159942 264166785 /nfs/dbraw/zinc/16/67/85/264166785.db2.gz GLHSGNRAYQIQON-ZBFHGGJFSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OC ZINC000347159942 264166790 /nfs/dbraw/zinc/16/67/90/264166790.db2.gz GLHSGNRAYQIQON-ZBFHGGJFSA-N 2 2 306.450 3.186 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000347579296 264245111 /nfs/dbraw/zinc/24/51/11/264245111.db2.gz FNVCLRHVEQBECW-UHFFFAOYSA-N 2 2 315.392 3.032 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000347579296 264245115 /nfs/dbraw/zinc/24/51/15/264245115.db2.gz FNVCLRHVEQBECW-UHFFFAOYSA-N 2 2 315.392 3.032 20 0 DGADLP CCC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nnc2ccccn21 ZINC000347654353 264261100 /nfs/dbraw/zinc/26/11/00/264261100.db2.gz SABRIEWWWVGSCN-JKSUJKDBSA-N 2 2 315.465 3.035 20 0 DGADLP CCC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654353 264261101 /nfs/dbraw/zinc/26/11/01/264261101.db2.gz SABRIEWWWVGSCN-JKSUJKDBSA-N 2 2 315.465 3.035 20 0 DGADLP C[C@@H]1c2ccccc2CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347826621 264290418 /nfs/dbraw/zinc/29/04/18/264290418.db2.gz XNTWTXQTYIUDCW-CYBMUJFWSA-N 2 2 301.459 3.324 20 0 DGADLP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347826621 264290420 /nfs/dbraw/zinc/29/04/20/264290420.db2.gz XNTWTXQTYIUDCW-CYBMUJFWSA-N 2 2 301.459 3.324 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(OC3CCCC3)CC2)s1 ZINC000347854442 264296008 /nfs/dbraw/zinc/29/60/08/264296008.db2.gz YYFABLRTCXCZHZ-UHFFFAOYSA-N 2 2 323.506 3.128 20 0 DGADLP CCOC(=O)C[N@H+](CCCc1c[nH+]ccc1C)C1CCCC1 ZINC000347864077 264298264 /nfs/dbraw/zinc/29/82/64/264298264.db2.gz YCRSYQHAGPXNCB-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP CCOC(=O)C[N@@H+](CCCc1c[nH+]ccc1C)C1CCCC1 ZINC000347864077 264298267 /nfs/dbraw/zinc/29/82/67/264298267.db2.gz YCRSYQHAGPXNCB-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](CCC1CCCCC1)CC(N)=O ZINC000347870459 264298506 /nfs/dbraw/zinc/29/85/06/264298506.db2.gz ZYHLDGJKBCZRSK-UHFFFAOYSA-N 2 2 317.477 3.080 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000347870459 264298507 /nfs/dbraw/zinc/29/85/07/264298507.db2.gz ZYHLDGJKBCZRSK-UHFFFAOYSA-N 2 2 317.477 3.080 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)s1 ZINC000347868990 264298644 /nfs/dbraw/zinc/29/86/44/264298644.db2.gz DTOWFZIHLMCUPI-UONOGXRCSA-N 2 2 311.520 3.065 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)s1 ZINC000347868990 264298647 /nfs/dbraw/zinc/29/86/47/264298647.db2.gz DTOWFZIHLMCUPI-UONOGXRCSA-N 2 2 311.520 3.065 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000348092165 264338535 /nfs/dbraw/zinc/33/85/35/264338535.db2.gz NHXYIEUAKMGBEU-ROUUACIJSA-N 2 2 320.502 3.100 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1F ZINC000348099626 264340209 /nfs/dbraw/zinc/34/02/09/264340209.db2.gz CCGJGAKTOGEIIU-XUJVJEKNSA-N 2 2 314.832 3.239 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1F ZINC000348099626 264340212 /nfs/dbraw/zinc/34/02/12/264340212.db2.gz CCGJGAKTOGEIIU-XUJVJEKNSA-N 2 2 314.832 3.239 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000348139826 264351022 /nfs/dbraw/zinc/35/10/22/264351022.db2.gz WELZGJJCRAOSEZ-UHFFFAOYSA-N 2 2 311.429 3.439 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000348188000 264360713 /nfs/dbraw/zinc/36/07/13/264360713.db2.gz QWXITFXVAABVIQ-MOPGFXCFSA-N 2 2 313.445 3.225 20 0 DGADLP CCOc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000348188928 264360967 /nfs/dbraw/zinc/36/09/67/264360967.db2.gz VDHFYEOVHPZMDP-UHFFFAOYSA-N 2 2 322.412 3.015 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000348306647 264386614 /nfs/dbraw/zinc/38/66/14/264386614.db2.gz ZCJSAGLMKMMESX-UONOGXRCSA-N 2 2 314.424 3.268 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCCOC1 ZINC000348318526 264388734 /nfs/dbraw/zinc/38/87/34/264388734.db2.gz KQHPVBHAZREZHF-MOPGFXCFSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCCOC1 ZINC000348318526 264388735 /nfs/dbraw/zinc/38/87/35/264388735.db2.gz KQHPVBHAZREZHF-MOPGFXCFSA-N 2 2 304.478 3.159 20 0 DGADLP Cc1ccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)cc1 ZINC000352416459 265041142 /nfs/dbraw/zinc/04/11/42/265041142.db2.gz GPRIKCNLYSSUAG-GOSISDBHSA-N 2 2 310.445 3.073 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352451397 265053860 /nfs/dbraw/zinc/05/38/60/265053860.db2.gz WOBLBCIKVQKNNH-HAZIXKIPSA-N 2 2 300.446 3.063 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000352451397 265053861 /nfs/dbraw/zinc/05/38/61/265053861.db2.gz WOBLBCIKVQKNNH-HAZIXKIPSA-N 2 2 300.446 3.063 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cs2)o1 ZINC000352487725 265066375 /nfs/dbraw/zinc/06/63/75/265066375.db2.gz IHCCDRXXWJCXOQ-AWEZNQCLSA-N 2 2 305.447 3.415 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])cs2)o1 ZINC000352487725 265066380 /nfs/dbraw/zinc/06/63/80/265066380.db2.gz IHCCDRXXWJCXOQ-AWEZNQCLSA-N 2 2 305.447 3.415 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352526759 265079089 /nfs/dbraw/zinc/07/90/89/265079089.db2.gz RJUMJGOBMNVMBW-INIZCTEOSA-N 2 2 314.351 3.003 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352526759 265079092 /nfs/dbraw/zinc/07/90/92/265079092.db2.gz RJUMJGOBMNVMBW-INIZCTEOSA-N 2 2 314.351 3.003 20 0 DGADLP C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000352555466 265087600 /nfs/dbraw/zinc/08/76/00/265087600.db2.gz NJEINVMQLMHUID-MNNVXMFVSA-N 2 2 316.489 3.369 20 0 DGADLP C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000352555466 265087603 /nfs/dbraw/zinc/08/76/03/265087603.db2.gz NJEINVMQLMHUID-MNNVXMFVSA-N 2 2 316.489 3.369 20 0 DGADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352730298 265143364 /nfs/dbraw/zinc/14/33/64/265143364.db2.gz CDEWBHLVPQEPFU-GFCCVEGCSA-N 2 2 304.463 3.013 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2COc3ccc(Cl)cc32)s1 ZINC000352757547 265153992 /nfs/dbraw/zinc/15/39/92/265153992.db2.gz FUGZRONZZRLEIN-ZDUSSCGKSA-N 2 2 323.849 3.081 20 0 DGADLP Cc1ccc(OCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352766665 265158004 /nfs/dbraw/zinc/15/80/04/265158004.db2.gz YOLOENYCYSNMKT-UHFFFAOYSA-N 2 2 319.474 3.072 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810299 265176898 /nfs/dbraw/zinc/17/68/98/265176898.db2.gz MQUGSHMCEBSOGP-FOIQADDNSA-N 2 2 307.441 3.321 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810299 265176902 /nfs/dbraw/zinc/17/69/02/265176902.db2.gz MQUGSHMCEBSOGP-FOIQADDNSA-N 2 2 307.441 3.321 20 0 DGADLP CSc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000352834382 265188049 /nfs/dbraw/zinc/18/80/49/265188049.db2.gz LUZNYCAVPNCLKY-BETUJISGSA-N 2 2 314.520 3.059 20 0 DGADLP CSc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000352834382 265188052 /nfs/dbraw/zinc/18/80/52/265188052.db2.gz LUZNYCAVPNCLKY-BETUJISGSA-N 2 2 314.520 3.059 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000352857124 265200811 /nfs/dbraw/zinc/20/08/11/265200811.db2.gz IHPYXVDRWRNAER-WJQQLCIQSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000352857124 265200812 /nfs/dbraw/zinc/20/08/12/265200812.db2.gz IHPYXVDRWRNAER-WJQQLCIQSA-N 2 2 302.462 3.309 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928418 265233698 /nfs/dbraw/zinc/23/36/98/265233698.db2.gz CEHUTGUYQYGUJG-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928418 265233704 /nfs/dbraw/zinc/23/37/04/265233704.db2.gz CEHUTGUYQYGUJG-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928418 265233706 /nfs/dbraw/zinc/23/37/06/265233706.db2.gz CEHUTGUYQYGUJG-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1 ZINC000352928418 265233710 /nfs/dbraw/zinc/23/37/10/265233710.db2.gz CEHUTGUYQYGUJG-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000353093123 265294608 /nfs/dbraw/zinc/29/46/08/265294608.db2.gz KEDFGSQHAFIEDG-UHFFFAOYSA-N 2 2 308.385 3.092 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000353128561 265310238 /nfs/dbraw/zinc/31/02/38/265310238.db2.gz ROXKDAFVYQMFHF-MISYRCLQSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000353128561 265310239 /nfs/dbraw/zinc/31/02/39/265310239.db2.gz ROXKDAFVYQMFHF-MISYRCLQSA-N 2 2 315.505 3.113 20 0 DGADLP CCCCCn1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)n1 ZINC000353180901 265333827 /nfs/dbraw/zinc/33/38/27/265333827.db2.gz LVHVCXXDYPLAAT-UHFFFAOYSA-N 2 2 315.465 3.133 20 0 DGADLP CC[NH+]1CCN(c2ccccc2CNc2ccc(C)[nH+]c2C)CC1 ZINC000353221612 265348587 /nfs/dbraw/zinc/34/85/87/265348587.db2.gz PJUXXSSXSHCXJJ-UHFFFAOYSA-N 2 2 324.472 3.452 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000353228304 265353158 /nfs/dbraw/zinc/35/31/58/265353158.db2.gz CTQNBPJJKIKGPM-VNHYZAJKSA-N 2 2 302.418 3.260 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000353228304 265353163 /nfs/dbraw/zinc/35/31/63/265353163.db2.gz CTQNBPJJKIKGPM-VNHYZAJKSA-N 2 2 302.418 3.260 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000353283550 265373708 /nfs/dbraw/zinc/37/37/08/265373708.db2.gz RJWAICGXPDGXGS-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2OC)[C@H](C)C1 ZINC000353319978 265387249 /nfs/dbraw/zinc/38/72/49/265387249.db2.gz HIYAYPLCFOXJEZ-UKRRQHHQSA-N 2 2 302.418 3.261 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2OC)[C@H](C)C1 ZINC000353319978 265387251 /nfs/dbraw/zinc/38/72/51/265387251.db2.gz HIYAYPLCFOXJEZ-UKRRQHHQSA-N 2 2 302.418 3.261 20 0 DGADLP COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000355306527 266032896 /nfs/dbraw/zinc/03/28/96/266032896.db2.gz BNGKVZXKYQXJKZ-SFHVURJKSA-N 2 2 323.440 3.462 20 0 DGADLP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000355688146 266157359 /nfs/dbraw/zinc/15/73/59/266157359.db2.gz ZUHRFOLKJZQRKD-UHFFFAOYSA-N 2 2 303.793 3.486 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000356276605 266340770 /nfs/dbraw/zinc/34/07/70/266340770.db2.gz IXKQOUSBIDPGES-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000356276605 266340771 /nfs/dbraw/zinc/34/07/71/266340771.db2.gz IXKQOUSBIDPGES-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP CCCC[C@@H](COC)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151340264 432238079 /nfs/dbraw/zinc/23/80/79/432238079.db2.gz GSYREAIIZQOXRO-SFHVURJKSA-N 2 2 301.434 3.226 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc[nH+]1 ZINC000172821657 432239245 /nfs/dbraw/zinc/23/92/45/432239245.db2.gz OAEYJTPCRZPDDC-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000359898867 271013283 /nfs/dbraw/zinc/01/32/83/271013283.db2.gz MXSDJJLSVPIIFP-LJQANCHMSA-N 2 2 323.440 3.108 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000359898867 271013285 /nfs/dbraw/zinc/01/32/85/271013285.db2.gz MXSDJJLSVPIIFP-LJQANCHMSA-N 2 2 323.440 3.108 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367618430 271053255 /nfs/dbraw/zinc/05/32/55/271053255.db2.gz SGWINCQRFQGPDO-BBWFWOEESA-N 2 2 304.482 3.494 20 0 DGADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367697231 271065852 /nfs/dbraw/zinc/06/58/52/271065852.db2.gz CBKWEFAGWRWVFY-GDBMZVCRSA-N 2 2 301.409 3.370 20 0 DGADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367697231 271065857 /nfs/dbraw/zinc/06/58/57/271065857.db2.gz CBKWEFAGWRWVFY-GDBMZVCRSA-N 2 2 301.409 3.370 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCC2 ZINC000368290090 271150208 /nfs/dbraw/zinc/15/02/08/271150208.db2.gz BZWGUKOTFZSSRU-SFHVURJKSA-N 2 2 320.396 3.140 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368539185 271168423 /nfs/dbraw/zinc/16/84/23/271168423.db2.gz RRQFCERENXGTAS-JYJNAYRXSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368539185 271168424 /nfs/dbraw/zinc/16/84/24/271168424.db2.gz RRQFCERENXGTAS-JYJNAYRXSA-N 2 2 314.429 3.255 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000369113513 271242067 /nfs/dbraw/zinc/24/20/67/271242067.db2.gz SOSJREKKRQWNOK-OAHLLOKOSA-N 2 2 308.441 3.193 20 0 DGADLP Clc1ccccc1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000369193325 271250594 /nfs/dbraw/zinc/25/05/94/271250594.db2.gz WCTWBLDUOZNLMM-UHFFFAOYSA-N 2 2 305.809 3.252 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369349541 271266357 /nfs/dbraw/zinc/26/63/57/271266357.db2.gz ZLCGYVXEQXRDPO-YJBOKZPZSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369349541 271266361 /nfs/dbraw/zinc/26/63/61/271266361.db2.gz ZLCGYVXEQXRDPO-YJBOKZPZSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232588 271346004 /nfs/dbraw/zinc/34/60/04/271346004.db2.gz YALKOPATHWSEHE-CRAIPNDOSA-N 2 2 319.412 3.245 20 0 DGADLP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232588 271346009 /nfs/dbraw/zinc/34/60/09/271346009.db2.gz YALKOPATHWSEHE-CRAIPNDOSA-N 2 2 319.412 3.245 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cnn1C(C)(C)C ZINC000191332007 432251310 /nfs/dbraw/zinc/25/13/10/432251310.db2.gz QQWJDYAFOJXQDQ-CQSZACIVSA-N 2 2 315.465 3.494 20 0 DGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000040226722 273474096 /nfs/dbraw/zinc/47/40/96/273474096.db2.gz ZKLLMGXTRIHNEC-OAHLLOKOSA-N 2 2 320.234 3.313 20 0 DGADLP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553645 273475913 /nfs/dbraw/zinc/47/59/13/273475913.db2.gz KOXHZBHFDBIEDF-IAQYHMDHSA-N 2 2 309.251 3.168 20 0 DGADLP C[NH2+]CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423222950 273962530 /nfs/dbraw/zinc/96/25/30/273962530.db2.gz DHQGPWSXPGTVKW-ZANVPECISA-N 2 2 315.280 3.041 20 0 DGADLP COc1ncccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124525134 274170539 /nfs/dbraw/zinc/17/05/39/274170539.db2.gz JBKBBKSIBVTTAD-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427861724 274230204 /nfs/dbraw/zinc/23/02/04/274230204.db2.gz UCNDTYHABLFMKL-SWLSCSKDSA-N 2 2 323.362 3.438 20 0 DGADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000285848750 274818778 /nfs/dbraw/zinc/81/87/78/274818778.db2.gz XUHVHRWHXKXSII-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000282482541 275071382 /nfs/dbraw/zinc/07/13/82/275071382.db2.gz WZNBNJUDRMCNBH-HOCLYGCPSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000282482541 275071383 /nfs/dbraw/zinc/07/13/83/275071383.db2.gz WZNBNJUDRMCNBH-HOCLYGCPSA-N 2 2 309.457 3.242 20 0 DGADLP Cc1nc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647253 429358820 /nfs/dbraw/zinc/35/88/20/429358820.db2.gz XXSOTCWIHOHVQA-YJBOKZPZSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1nc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647253 429358824 /nfs/dbraw/zinc/35/88/24/429358824.db2.gz XXSOTCWIHOHVQA-YJBOKZPZSA-N 2 2 310.445 3.498 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccco2)N(CC)CC)CC1 ZINC000119068390 276004543 /nfs/dbraw/zinc/00/45/43/276004543.db2.gz FFSRJGCOEKMMTK-QGZVFWFLSA-N 2 2 307.482 3.127 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000414835641 276266679 /nfs/dbraw/zinc/26/66/79/276266679.db2.gz VIUHVNAMMQWRDM-UHFFFAOYSA-N 2 2 314.429 3.070 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423383493 276270582 /nfs/dbraw/zinc/27/05/82/276270582.db2.gz JLMBISQKYBETAC-AFYVEPGGSA-N 3 2 315.505 3.017 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423383493 276270584 /nfs/dbraw/zinc/27/05/84/276270584.db2.gz JLMBISQKYBETAC-AFYVEPGGSA-N 3 2 315.505 3.017 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414097105 276331636 /nfs/dbraw/zinc/33/16/36/276331636.db2.gz IBFIYWMOIOGBAA-RYRKJORJSA-N 2 2 318.509 3.381 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)n1C ZINC000414338069 276899763 /nfs/dbraw/zinc/89/97/63/276899763.db2.gz YFKDDDOZWKFJRV-QGZVFWFLSA-N 2 2 312.461 3.388 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000535070878 430161570 /nfs/dbraw/zinc/16/15/70/430161570.db2.gz VNJUQSXSQCYNSL-AWEZNQCLSA-N 2 2 314.433 3.089 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000535070878 430161576 /nfs/dbraw/zinc/16/15/76/430161576.db2.gz VNJUQSXSQCYNSL-AWEZNQCLSA-N 2 2 314.433 3.089 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124875997 277061767 /nfs/dbraw/zinc/06/17/67/277061767.db2.gz XNZJEYMWMOYHPV-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124875997 277061769 /nfs/dbraw/zinc/06/17/69/277061769.db2.gz XNZJEYMWMOYHPV-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124875997 277061770 /nfs/dbraw/zinc/06/17/70/277061770.db2.gz XNZJEYMWMOYHPV-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124875997 277061771 /nfs/dbraw/zinc/06/17/71/277061771.db2.gz XNZJEYMWMOYHPV-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424263463 277064467 /nfs/dbraw/zinc/06/44/67/277064467.db2.gz HHNQLONZRPUOQW-CVEARBPZSA-N 2 2 301.459 3.111 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424263463 277064468 /nfs/dbraw/zinc/06/44/68/277064468.db2.gz HHNQLONZRPUOQW-CVEARBPZSA-N 2 2 301.459 3.111 20 0 DGADLP CC(C)(C)[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000127821069 277152225 /nfs/dbraw/zinc/15/22/25/277152225.db2.gz NSPCDLTZWMVTNX-KRWDZBQOSA-N 2 2 312.461 3.352 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000423114442 277626910 /nfs/dbraw/zinc/62/69/10/277626910.db2.gz VRLYBAKANRLACN-RBZYPMLTSA-N 2 2 315.230 3.379 20 0 DGADLP C[C@@H](CCNc1nc[nH+]c(N)c1Cl)[N@H+](C)Cc1ccccc1 ZINC000302876295 278234127 /nfs/dbraw/zinc/23/41/27/278234127.db2.gz FNNMWFMRDUACJW-LBPRGKRZSA-N 2 2 319.840 3.035 20 0 DGADLP C[C@@H](CCNc1nc[nH+]c(N)c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000302876295 278234130 /nfs/dbraw/zinc/23/41/30/278234130.db2.gz FNNMWFMRDUACJW-LBPRGKRZSA-N 2 2 319.840 3.035 20 0 DGADLP C[C@@H](CCNc1[nH+]cnc(N)c1Cl)[N@H+](C)Cc1ccccc1 ZINC000302876295 278234131 /nfs/dbraw/zinc/23/41/31/278234131.db2.gz FNNMWFMRDUACJW-LBPRGKRZSA-N 2 2 319.840 3.035 20 0 DGADLP C[C@@H](CCNc1[nH+]cnc(N)c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000302876295 278234132 /nfs/dbraw/zinc/23/41/32/278234132.db2.gz FNNMWFMRDUACJW-LBPRGKRZSA-N 2 2 319.840 3.035 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422760576 278295126 /nfs/dbraw/zinc/29/51/26/278295126.db2.gz QICCLNGGILJMKS-PXNSSMCTSA-N 2 2 324.468 3.175 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423258265 279142261 /nfs/dbraw/zinc/14/22/61/279142261.db2.gz BEQWELVHGXMZRP-MWLCHTKSSA-N 2 2 317.296 3.461 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011583 279165581 /nfs/dbraw/zinc/16/55/81/279165581.db2.gz MSWVHYRHKAVADM-HYVNUMGLSA-N 2 2 309.523 3.203 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011583 279165583 /nfs/dbraw/zinc/16/55/83/279165583.db2.gz MSWVHYRHKAVADM-HYVNUMGLSA-N 2 2 309.523 3.203 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000270922521 279171266 /nfs/dbraw/zinc/17/12/66/279171266.db2.gz VMQGKYNYUGMIDD-CXAGYDPISA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000270922521 279171268 /nfs/dbraw/zinc/17/12/68/279171268.db2.gz VMQGKYNYUGMIDD-CXAGYDPISA-N 2 2 319.836 3.307 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000342217295 279280115 /nfs/dbraw/zinc/28/01/15/279280115.db2.gz QQRVGGCUQWCKCD-WDEREUQCSA-N 2 2 317.246 3.059 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[NH+]1CCC(C)CC1 ZINC000421822332 279350952 /nfs/dbraw/zinc/35/09/52/279350952.db2.gz AFNWNLGLJGXPES-SJLPKXTDSA-N 2 2 301.478 3.039 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858100 279384688 /nfs/dbraw/zinc/38/46/88/279384688.db2.gz IJPIRQJFLREKFZ-APWZRJJASA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858100 279384690 /nfs/dbraw/zinc/38/46/90/279384690.db2.gz IJPIRQJFLREKFZ-APWZRJJASA-N 3 2 303.494 3.147 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427619793 279388432 /nfs/dbraw/zinc/38/84/32/279388432.db2.gz ZWUYBXLJYXFXNG-ABAIWWIYSA-N 2 2 324.350 3.353 20 0 DGADLP Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)nc(C(C)C)[nH+]1 ZINC000108952584 431162571 /nfs/dbraw/zinc/16/25/71/431162571.db2.gz SBBFXUXQIXYLLP-UHFFFAOYSA-N 2 2 313.449 3.328 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C[C@H](C)O1 ZINC000069674074 431208796 /nfs/dbraw/zinc/20/87/96/431208796.db2.gz JSQBXTQXZLQRNL-IYBDPMFKSA-N 2 2 314.429 3.179 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C[C@H](C)O1 ZINC000069674074 431208813 /nfs/dbraw/zinc/20/88/13/431208813.db2.gz JSQBXTQXZLQRNL-IYBDPMFKSA-N 2 2 314.429 3.179 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1sccc1Br ZINC000069720985 431215144 /nfs/dbraw/zinc/21/51/44/431215144.db2.gz ZSZSOBNEEFBQFH-SNVBAGLBSA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1sccc1Br ZINC000069720985 431215148 /nfs/dbraw/zinc/21/51/48/431215148.db2.gz ZSZSOBNEEFBQFH-SNVBAGLBSA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(Br)c1 ZINC000069721178 431215610 /nfs/dbraw/zinc/21/56/10/431215610.db2.gz XLODOWLLHDRDKA-NSHDSACASA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(Br)c1 ZINC000069721178 431215615 /nfs/dbraw/zinc/21/56/15/431215615.db2.gz XLODOWLLHDRDKA-NSHDSACASA-N 2 2 303.269 3.214 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(Cl)c1OC ZINC000070148798 431240945 /nfs/dbraw/zinc/24/09/45/431240945.db2.gz IJONZUBECXORBP-ZDUSSCGKSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(Cl)c1OC ZINC000070148798 431240951 /nfs/dbraw/zinc/24/09/51/431240951.db2.gz IJONZUBECXORBP-ZDUSSCGKSA-N 2 2 312.841 3.061 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261594339 288152317 /nfs/dbraw/zinc/15/23/17/288152317.db2.gz NMCRSAOEAXPXND-SQWLQELKSA-N 2 2 323.278 3.442 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261594339 288152319 /nfs/dbraw/zinc/15/23/19/288152319.db2.gz NMCRSAOEAXPXND-SQWLQELKSA-N 2 2 323.278 3.442 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc43)CC2)cc1 ZINC000114850692 431417893 /nfs/dbraw/zinc/41/78/93/431417893.db2.gz PPPMEXHHUDGAPZ-IBGZPJMESA-N 2 2 308.425 3.374 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000075675298 431492594 /nfs/dbraw/zinc/49/25/94/431492594.db2.gz FLEQRIMSSSKJKG-HXUWFJFHSA-N 2 2 309.457 3.254 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000075675298 431492599 /nfs/dbraw/zinc/49/25/99/431492599.db2.gz FLEQRIMSSSKJKG-HXUWFJFHSA-N 2 2 309.457 3.254 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000118953385 280189113 /nfs/dbraw/zinc/18/91/13/280189113.db2.gz ZQUHRBLWQHOFDP-MSOLQXFVSA-N 2 2 300.450 3.072 20 0 DGADLP CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895905 280284713 /nfs/dbraw/zinc/28/47/13/280284713.db2.gz MXEVKRUTKYKZLV-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895905 280284714 /nfs/dbraw/zinc/28/47/14/280284714.db2.gz MXEVKRUTKYKZLV-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341895905 280284718 /nfs/dbraw/zinc/28/47/18/280284718.db2.gz MXEVKRUTKYKZLV-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341895905 280284719 /nfs/dbraw/zinc/28/47/19/280284719.db2.gz MXEVKRUTKYKZLV-MOPGFXCFSA-N 2 2 302.462 3.152 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000078358507 431660967 /nfs/dbraw/zinc/66/09/67/431660967.db2.gz HACCRFQHOIWFDM-FQEVSTJZSA-N 2 2 309.457 3.254 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000078358507 431660970 /nfs/dbraw/zinc/66/09/70/431660970.db2.gz HACCRFQHOIWFDM-FQEVSTJZSA-N 2 2 309.457 3.254 20 0 DGADLP C[C@H]1SCC[N@H+](CCC[NH+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000119008222 431633677 /nfs/dbraw/zinc/63/36/77/431633677.db2.gz FUGZOFBMJSXJPL-PYHGIMPFSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[N@@H+](CCC[NH+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000119008222 431633683 /nfs/dbraw/zinc/63/36/83/431633683.db2.gz FUGZOFBMJSXJPL-PYHGIMPFSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000119008222 431633693 /nfs/dbraw/zinc/63/36/93/431633693.db2.gz FUGZOFBMJSXJPL-PYHGIMPFSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@H+]2CCS[C@@H](C)[C@H]2C)[C@H]1C ZINC000119008222 431633697 /nfs/dbraw/zinc/63/36/97/431633697.db2.gz FUGZOFBMJSXJPL-PYHGIMPFSA-N 2 2 302.553 3.028 20 0 DGADLP Fc1ccc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)oc2c1 ZINC000119088859 431644394 /nfs/dbraw/zinc/64/43/94/431644394.db2.gz OXFLKPYELNDBFT-UHFFFAOYSA-N 2 2 300.337 3.001 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000078411650 431666767 /nfs/dbraw/zinc/66/67/67/431666767.db2.gz DZAKZLITYIDVCM-OAHLLOKOSA-N 2 2 309.417 3.008 20 0 DGADLP Cc1ncccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119329511 431675646 /nfs/dbraw/zinc/67/56/46/431675646.db2.gz LIOHQVYIJOQIST-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ncccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119329511 431675653 /nfs/dbraw/zinc/67/56/53/431675653.db2.gz LIOHQVYIJOQIST-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP C[N@H+](Cc1cncs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119311408 431676319 /nfs/dbraw/zinc/67/63/19/431676319.db2.gz YXTNQLGAWMNBQF-UHFFFAOYSA-N 2 2 301.459 3.240 20 0 DGADLP C[N@@H+](Cc1cncs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119311408 431676323 /nfs/dbraw/zinc/67/63/23/431676323.db2.gz YXTNQLGAWMNBQF-UHFFFAOYSA-N 2 2 301.459 3.240 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166569 431723188 /nfs/dbraw/zinc/72/31/88/431723188.db2.gz OQSPCCZQMSPKDF-JKSUJKDBSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166569 431723194 /nfs/dbraw/zinc/72/31/94/431723194.db2.gz OQSPCCZQMSPKDF-JKSUJKDBSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081571913 431796490 /nfs/dbraw/zinc/79/64/90/431796490.db2.gz GDRXESCLWNWIOX-HNNXBMFYSA-N 2 2 310.869 3.383 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081571913 431796498 /nfs/dbraw/zinc/79/64/98/431796498.db2.gz GDRXESCLWNWIOX-HNNXBMFYSA-N 2 2 310.869 3.383 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000081571913 431796505 /nfs/dbraw/zinc/79/65/05/431796505.db2.gz GDRXESCLWNWIOX-HNNXBMFYSA-N 2 2 310.869 3.383 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000081571913 431796510 /nfs/dbraw/zinc/79/65/10/431796510.db2.gz GDRXESCLWNWIOX-HNNXBMFYSA-N 2 2 310.869 3.383 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631871 431799541 /nfs/dbraw/zinc/79/95/41/431799541.db2.gz GYNMACXXVSJWNF-GOSISDBHSA-N 2 2 324.472 3.036 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631871 431799547 /nfs/dbraw/zinc/79/95/47/431799547.db2.gz GYNMACXXVSJWNF-GOSISDBHSA-N 2 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631871 431799555 /nfs/dbraw/zinc/79/95/55/431799555.db2.gz GYNMACXXVSJWNF-GOSISDBHSA-N 2 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631871 431799562 /nfs/dbraw/zinc/79/95/62/431799562.db2.gz GYNMACXXVSJWNF-GOSISDBHSA-N 2 2 324.472 3.036 20 0 DGADLP Cc1nc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)cs1 ZINC000036915435 431841926 /nfs/dbraw/zinc/84/19/26/431841926.db2.gz MHWRPBROBZJGAJ-NSHDSACASA-N 2 2 300.431 3.460 20 0 DGADLP Brc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996443 431843069 /nfs/dbraw/zinc/84/30/69/431843069.db2.gz SICAMEMQZYAOAI-HUUCEWRRSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996443 431843072 /nfs/dbraw/zinc/84/30/72/431843072.db2.gz SICAMEMQZYAOAI-HUUCEWRRSA-N 2 2 309.251 3.166 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(C)n1 ZINC000122775177 431844222 /nfs/dbraw/zinc/84/42/22/431844222.db2.gz ATMKSNJAGFRHFE-HNNXBMFYSA-N 2 2 324.472 3.192 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(C)n1 ZINC000122775177 431844225 /nfs/dbraw/zinc/84/42/25/431844225.db2.gz ATMKSNJAGFRHFE-HNNXBMFYSA-N 2 2 324.472 3.192 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1ccn(C)c1)c1cccc(OC)c1 ZINC000123017016 431852159 /nfs/dbraw/zinc/85/21/59/431852159.db2.gz JVOGWWLDQRMVIX-IBGZPJMESA-N 2 2 315.461 3.206 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000038002266 431852841 /nfs/dbraw/zinc/85/28/41/431852841.db2.gz RWVMMLLQCKPOND-VIFPVBQESA-N 2 2 303.269 3.255 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H](c2ccccc2)O1 ZINC000125012945 431911176 /nfs/dbraw/zinc/91/11/76/431911176.db2.gz MPMPURGHZGWXDH-IEBWSBKVSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H](c2ccccc2)O1 ZINC000125012945 431911180 /nfs/dbraw/zinc/91/11/80/431911180.db2.gz MPMPURGHZGWXDH-IEBWSBKVSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125120791 431914281 /nfs/dbraw/zinc/91/42/81/431914281.db2.gz QQXVREGTNYXQRX-CVEARBPZSA-N 2 2 312.461 3.296 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2OC(C)C)CC1 ZINC000125261825 431919104 /nfs/dbraw/zinc/91/91/04/431919104.db2.gz UUHCGVHGANNBHS-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2OC(C)C)CC1 ZINC000125261825 431919106 /nfs/dbraw/zinc/91/91/06/431919106.db2.gz UUHCGVHGANNBHS-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044529800 431875131 /nfs/dbraw/zinc/87/51/31/431875131.db2.gz HIRVXNJSJJIUKX-SNVBAGLBSA-N 2 2 304.768 3.112 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000044529800 431875132 /nfs/dbraw/zinc/87/51/32/431875132.db2.gz HIRVXNJSJJIUKX-SNVBAGLBSA-N 2 2 304.768 3.112 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000124271118 431888285 /nfs/dbraw/zinc/88/82/85/431888285.db2.gz CTTRQHARUIEUJM-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000124271118 431888288 /nfs/dbraw/zinc/88/82/88/431888288.db2.gz CTTRQHARUIEUJM-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)c1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000045806941 431889917 /nfs/dbraw/zinc/88/99/17/431889917.db2.gz FSEAIAPNADDLOO-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000124383303 431892835 /nfs/dbraw/zinc/89/28/35/431892835.db2.gz PBDULEKAOGDTSN-UHFFFAOYSA-N 2 2 319.412 3.172 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1C ZINC000090721480 431894418 /nfs/dbraw/zinc/89/44/18/431894418.db2.gz UUPUBSVNZXDXGA-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@H+]1C ZINC000090721480 431894421 /nfs/dbraw/zinc/89/44/21/431894421.db2.gz UUPUBSVNZXDXGA-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090851551 431896974 /nfs/dbraw/zinc/89/69/74/431896974.db2.gz JTJMRCKGNPISIU-OAHLLOKOSA-N 2 2 321.428 3.184 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)s2)o1 ZINC000125552416 431929226 /nfs/dbraw/zinc/92/92/26/431929226.db2.gz AXSZPMRAQDUHQZ-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)s2)o1 ZINC000125552416 431929229 /nfs/dbraw/zinc/92/92/29/431929229.db2.gz AXSZPMRAQDUHQZ-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000125563857 431930113 /nfs/dbraw/zinc/93/01/13/431930113.db2.gz YIYKXMWXUVAXQX-NSHDSACASA-N 2 2 304.331 3.228 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000125563857 431930116 /nfs/dbraw/zinc/93/01/16/431930116.db2.gz YIYKXMWXUVAXQX-NSHDSACASA-N 2 2 304.331 3.228 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2COC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000417885655 280946700 /nfs/dbraw/zinc/94/67/00/280946700.db2.gz HDVXSYYPSJRYII-QZTJIDSGSA-N 2 2 302.462 3.289 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000098143746 431979973 /nfs/dbraw/zinc/97/99/73/431979973.db2.gz RZOCGUFQOPIQSI-WMLDXEAASA-N 2 2 310.869 3.083 20 0 DGADLP C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000049156339 431937502 /nfs/dbraw/zinc/93/75/02/431937502.db2.gz SMPXYUUSUUHIHH-CQSZACIVSA-N 2 2 301.459 3.333 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000049553919 431941609 /nfs/dbraw/zinc/94/16/09/431941609.db2.gz ZVGRFGSEKFTZIY-GFCCVEGCSA-N 2 2 307.438 3.379 20 0 DGADLP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126367796 431948797 /nfs/dbraw/zinc/94/87/97/431948797.db2.gz VEUWJDMOVSZWPM-AWEZNQCLSA-N 2 2 322.412 3.435 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000491018956 281037236 /nfs/dbraw/zinc/03/72/36/281037236.db2.gz IZXIGMBBIHAEFF-CABCVRRESA-N 2 2 309.457 3.160 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000491018956 281037240 /nfs/dbraw/zinc/03/72/40/281037240.db2.gz IZXIGMBBIHAEFF-CABCVRRESA-N 2 2 309.457 3.160 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000270654103 432271259 /nfs/dbraw/zinc/27/12/59/432271259.db2.gz MQDVTGAWFDXARP-KRWDZBQOSA-N 2 2 301.459 3.290 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000270654103 432271261 /nfs/dbraw/zinc/27/12/61/432271261.db2.gz MQDVTGAWFDXARP-KRWDZBQOSA-N 2 2 301.459 3.290 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183253886 432274316 /nfs/dbraw/zinc/27/43/16/432274316.db2.gz OHAFASYHZPLHOZ-ZDUSSCGKSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000247995089 432261097 /nfs/dbraw/zinc/26/10/97/432261097.db2.gz JVMHJVIWKJJNQP-HLIPFELVSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000247995089 432261100 /nfs/dbraw/zinc/26/11/00/432261100.db2.gz JVMHJVIWKJJNQP-HLIPFELVSA-N 3 2 315.505 3.284 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000270593341 432261926 /nfs/dbraw/zinc/26/19/26/432261926.db2.gz FJNMIMWPGXLJLJ-GOSISDBHSA-N 2 2 323.444 3.305 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000270593341 432261929 /nfs/dbraw/zinc/26/19/29/432261929.db2.gz FJNMIMWPGXLJLJ-GOSISDBHSA-N 2 2 323.444 3.305 20 0 DGADLP c1cn(CCC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c[nH+]1 ZINC000183190163 432266604 /nfs/dbraw/zinc/26/66/04/432266604.db2.gz ZSESJAYUYBZSEO-UHFFFAOYSA-N 2 2 309.417 3.029 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248057262 432266551 /nfs/dbraw/zinc/26/65/51/432266551.db2.gz XNLIIOWUOZMXQW-ZJPYXAASSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000248057262 432266558 /nfs/dbraw/zinc/26/65/58/432266558.db2.gz XNLIIOWUOZMXQW-ZJPYXAASSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000248057262 432266563 /nfs/dbraw/zinc/26/65/63/432266563.db2.gz XNLIIOWUOZMXQW-ZJPYXAASSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000248057262 432266569 /nfs/dbraw/zinc/26/65/69/432266569.db2.gz XNLIIOWUOZMXQW-ZJPYXAASSA-N 2 2 319.493 3.125 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152243566 432316182 /nfs/dbraw/zinc/31/61/82/432316182.db2.gz WWLCYXPQQBGFHY-IBGZPJMESA-N 2 2 321.424 3.220 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192034747 432326039 /nfs/dbraw/zinc/32/60/39/432326039.db2.gz HEHIZTUFMYRBQY-JKSUJKDBSA-N 2 2 310.482 3.057 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192034747 432326042 /nfs/dbraw/zinc/32/60/42/432326042.db2.gz HEHIZTUFMYRBQY-JKSUJKDBSA-N 2 2 310.482 3.057 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152509257 432337552 /nfs/dbraw/zinc/33/75/52/432337552.db2.gz PSSJCJJACKSUAU-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152509257 432337555 /nfs/dbraw/zinc/33/75/55/432337555.db2.gz PSSJCJJACKSUAU-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152509257 432337557 /nfs/dbraw/zinc/33/75/57/432337557.db2.gz PSSJCJJACKSUAU-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152509257 432337560 /nfs/dbraw/zinc/33/75/60/432337560.db2.gz PSSJCJJACKSUAU-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP Clc1nc2ccccn2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271167646 432342397 /nfs/dbraw/zinc/34/23/97/432342397.db2.gz BVYOSPJOZAZUCW-UHFFFAOYSA-N 2 2 315.808 3.090 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000271174277 432342555 /nfs/dbraw/zinc/34/25/55/432342555.db2.gz GPYHXXPZOLDOLV-KRWDZBQOSA-N 2 2 323.444 3.226 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000271174277 432342558 /nfs/dbraw/zinc/34/25/58/432342558.db2.gz GPYHXXPZOLDOLV-KRWDZBQOSA-N 2 2 323.444 3.226 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000271174225 432343032 /nfs/dbraw/zinc/34/30/32/432343032.db2.gz GIXAPUMQLJPKMM-AWEZNQCLSA-N 2 2 320.868 3.151 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000271174225 432343037 /nfs/dbraw/zinc/34/30/37/432343037.db2.gz GIXAPUMQLJPKMM-AWEZNQCLSA-N 2 2 320.868 3.151 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccn1C ZINC000271181964 432345167 /nfs/dbraw/zinc/34/51/67/432345167.db2.gz JZACLOUKKSTRMS-KRWDZBQOSA-N 2 2 308.429 3.348 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccn1C ZINC000271181964 432345171 /nfs/dbraw/zinc/34/51/71/432345171.db2.gz JZACLOUKKSTRMS-KRWDZBQOSA-N 2 2 308.429 3.348 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000249380267 432346395 /nfs/dbraw/zinc/34/63/95/432346395.db2.gz QAWKNNJZKNWWFZ-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2Br)C1 ZINC000249380267 432346397 /nfs/dbraw/zinc/34/63/97/432346397.db2.gz QAWKNNJZKNWWFZ-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271177269 432346505 /nfs/dbraw/zinc/34/65/05/432346505.db2.gz GAUDHAPXKWRANH-UHFFFAOYSA-N 2 2 308.385 3.043 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000249419093 432346550 /nfs/dbraw/zinc/34/65/50/432346550.db2.gz HELOVJHAEVVQEH-PMACEKPBSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000249419093 432346556 /nfs/dbraw/zinc/34/65/56/432346556.db2.gz HELOVJHAEVVQEH-PMACEKPBSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000249419093 432346559 /nfs/dbraw/zinc/34/65/59/432346559.db2.gz HELOVJHAEVVQEH-PMACEKPBSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000249419093 432346562 /nfs/dbraw/zinc/34/65/62/432346562.db2.gz HELOVJHAEVVQEH-PMACEKPBSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000271202845 432352944 /nfs/dbraw/zinc/35/29/44/432352944.db2.gz JDLVWFRFQSADIG-WBVHZDCISA-N 2 2 315.486 3.328 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000271202845 432352949 /nfs/dbraw/zinc/35/29/49/432352949.db2.gz JDLVWFRFQSADIG-WBVHZDCISA-N 2 2 315.486 3.328 20 0 DGADLP Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)[nH+]1 ZINC000152167020 432309787 /nfs/dbraw/zinc/30/97/87/432309787.db2.gz LKDRMPQEJOKRQF-OAHLLOKOSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)[nH+]1 ZINC000152167020 432309792 /nfs/dbraw/zinc/30/97/92/432309792.db2.gz LKDRMPQEJOKRQF-OAHLLOKOSA-N 2 2 304.438 3.037 20 0 DGADLP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000248651379 432309991 /nfs/dbraw/zinc/30/99/91/432309991.db2.gz MXQITXWJAYNVGO-DOTOQJQBSA-N 2 2 319.518 3.167 20 0 DGADLP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000248651379 432309996 /nfs/dbraw/zinc/30/99/96/432309996.db2.gz MXQITXWJAYNVGO-DOTOQJQBSA-N 2 2 319.518 3.167 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000271494391 432407027 /nfs/dbraw/zinc/40/70/27/432407027.db2.gz LGYNNSXYQAHWOZ-IHHFWDAISA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000271494391 432407031 /nfs/dbraw/zinc/40/70/31/432407031.db2.gz LGYNNSXYQAHWOZ-IHHFWDAISA-N 2 2 306.425 3.117 20 0 DGADLP C[C@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000251912217 432373711 /nfs/dbraw/zinc/37/37/11/432373711.db2.gz XGMNFPXMDBGDNL-XHDPSFHLSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000251912217 432373717 /nfs/dbraw/zinc/37/37/17/432373717.db2.gz XGMNFPXMDBGDNL-XHDPSFHLSA-N 2 2 305.809 3.164 20 0 DGADLP Cn1c(NCc2cccc3[nH+]ccn32)[nH+]c2cccc(Cl)c21 ZINC000184311324 432377718 /nfs/dbraw/zinc/37/77/18/432377718.db2.gz IPJJIHMPTJPXDF-UHFFFAOYSA-N 2 2 311.776 3.487 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccs1 ZINC000153258951 432396469 /nfs/dbraw/zinc/39/64/69/432396469.db2.gz DJAOJVUUSJZBOV-CVEARBPZSA-N 2 2 310.507 3.393 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000271457836 432399672 /nfs/dbraw/zinc/39/96/72/432399672.db2.gz GZWLPECJJVKWIY-RHSMWYFYSA-N 2 2 322.880 3.462 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184131748 432357736 /nfs/dbraw/zinc/35/77/36/432357736.db2.gz QEJHBWDNLVNVAM-UHFFFAOYSA-N 2 2 314.404 3.286 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000192356117 432363034 /nfs/dbraw/zinc/36/30/34/432363034.db2.gz WVSJCZFZPLXWDG-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000192356117 432363040 /nfs/dbraw/zinc/36/30/40/432363040.db2.gz WVSJCZFZPLXWDG-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000250670468 432367099 /nfs/dbraw/zinc/36/70/99/432367099.db2.gz WWWNHSUXSKEKQC-APHBMKBZSA-N 2 2 303.450 3.038 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC000184731900 432427995 /nfs/dbraw/zinc/42/79/95/432427995.db2.gz FEGUQIFRLGELOI-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC000184731900 432428000 /nfs/dbraw/zinc/42/80/00/432428000.db2.gz FEGUQIFRLGELOI-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000192964423 432433585 /nfs/dbraw/zinc/43/35/85/432433585.db2.gz GQUCFJYSBRNLKQ-QFBILLFUSA-N 2 2 320.477 3.093 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261628121 432434785 /nfs/dbraw/zinc/43/47/85/432434785.db2.gz CUKDGRVIAMHPLG-SJLPKXTDSA-N 3 2 306.413 3.079 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272054383 432437798 /nfs/dbraw/zinc/43/77/98/432437798.db2.gz SFXUFMFTOXSKTN-DQYPLSBCSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272054383 432437801 /nfs/dbraw/zinc/43/78/01/432437801.db2.gz SFXUFMFTOXSKTN-DQYPLSBCSA-N 2 2 304.409 3.112 20 0 DGADLP CC[NH+](CC)[C@H](c1nc(C2([NH3+])CCCC2)no1)c1ccccc1 ZINC000261673005 432440956 /nfs/dbraw/zinc/44/09/56/432440956.db2.gz GJHGUQICIXPMHA-HNNXBMFYSA-N 2 2 314.433 3.229 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261695164 432442386 /nfs/dbraw/zinc/44/23/86/432442386.db2.gz BSLFNJJHZSRKGX-BLLLJJGKSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261695164 432442390 /nfs/dbraw/zinc/44/23/90/432442390.db2.gz BSLFNJJHZSRKGX-BLLLJJGKSA-N 2 2 323.278 3.195 20 0 DGADLP c1coc(-c2ncc(C[NH2+]CCCNc3cccc[nH+]3)s2)c1 ZINC000193141184 432453712 /nfs/dbraw/zinc/45/37/12/432453712.db2.gz JEWHSFWJIDOOQJ-UHFFFAOYSA-N 2 2 314.414 3.390 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193136891 432454530 /nfs/dbraw/zinc/45/45/30/432454530.db2.gz LOJZWUCNXNXFFA-UHFFFAOYSA-N 2 2 316.898 3.381 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876138 432455934 /nfs/dbraw/zinc/45/59/34/432455934.db2.gz XZMSYXMEQDPOFG-LULLPPNCSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876138 432455940 /nfs/dbraw/zinc/45/59/40/432455940.db2.gz XZMSYXMEQDPOFG-LULLPPNCSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000272177007 432457552 /nfs/dbraw/zinc/45/75/52/432457552.db2.gz FGQJPTPLLXPQCE-DZGCQCFKSA-N 2 2 316.474 3.457 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000262062422 432471224 /nfs/dbraw/zinc/47/12/24/432471224.db2.gz FCYOQZIXURYSDE-JMSVASOKSA-N 2 2 316.367 3.123 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000185190148 432475002 /nfs/dbraw/zinc/47/50/02/432475002.db2.gz CYZHNOWFOWILAF-NJAFHUGGSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000185190148 432475004 /nfs/dbraw/zinc/47/50/04/432475004.db2.gz CYZHNOWFOWILAF-NJAFHUGGSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)([NH+](C)C)C1 ZINC000262132043 432475061 /nfs/dbraw/zinc/47/50/61/432475061.db2.gz LNSHYLPCWDMQAN-ZRSRNVLSSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)Oc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000262300697 432480207 /nfs/dbraw/zinc/48/02/07/432480207.db2.gz OMICYRHEKVXVGY-UHFFFAOYSA-N 2 2 302.462 3.438 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)co2)cc1 ZINC000262409415 432484079 /nfs/dbraw/zinc/48/40/79/432484079.db2.gz CZLXVNITFPEATG-XJKSGUPXSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)co2)cc1 ZINC000262409415 432484083 /nfs/dbraw/zinc/48/40/83/432484083.db2.gz CZLXVNITFPEATG-XJKSGUPXSA-N 2 2 317.820 3.179 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000262382421 432484251 /nfs/dbraw/zinc/48/42/51/432484251.db2.gz YXDSHLNTFZHQOE-HOTGVXAUSA-N 2 2 302.466 3.405 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000154245781 432485173 /nfs/dbraw/zinc/48/51/73/432485173.db2.gz AXAVDCXGFVOMGX-DOMZBBRYSA-N 2 2 319.276 3.347 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000262522400 432489900 /nfs/dbraw/zinc/48/99/00/432489900.db2.gz OHZLHRLYKLRYAQ-KBPBESRZSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000262522400 432489903 /nfs/dbraw/zinc/48/99/03/432489903.db2.gz OHZLHRLYKLRYAQ-KBPBESRZSA-N 2 2 315.848 3.238 20 0 DGADLP c1ccc(CSCC[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000193916575 432509081 /nfs/dbraw/zinc/50/90/81/432509081.db2.gz QQZPUCROTPKDFD-UHFFFAOYSA-N 2 2 301.459 3.407 20 0 DGADLP COc1ccc(C[N@H+](CC2CCC2)CC(C)(C)[NH3+])c(OC)c1 ZINC000261918462 432460139 /nfs/dbraw/zinc/46/01/39/432460139.db2.gz KDORZKLHGFAJGU-UHFFFAOYSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccc(C[N@@H+](CC2CCC2)CC(C)(C)[NH3+])c(OC)c1 ZINC000261918462 432460141 /nfs/dbraw/zinc/46/01/41/432460141.db2.gz KDORZKLHGFAJGU-UHFFFAOYSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000262003831 432467109 /nfs/dbraw/zinc/46/71/09/432467109.db2.gz ULAVKPFIACVOAU-QGZVFWFLSA-N 2 2 308.853 3.300 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000262003831 432467113 /nfs/dbraw/zinc/46/71/13/432467113.db2.gz ULAVKPFIACVOAU-QGZVFWFLSA-N 2 2 308.853 3.300 20 0 DGADLP c1cc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CC3CC3)CC2)cs1 ZINC000262018921 432470211 /nfs/dbraw/zinc/47/02/11/432470211.db2.gz VZHKCEBLARYUPB-UHFFFAOYSA-N 2 2 316.474 3.102 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1)C[NH+]1CCOCC1 ZINC000177357728 432615016 /nfs/dbraw/zinc/61/50/16/432615016.db2.gz CJCYSBDCGCRECQ-IAGOWNOFSA-N 2 2 312.457 3.459 20 0 DGADLP Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177363736 432616473 /nfs/dbraw/zinc/61/64/73/432616473.db2.gz UVOWNQCJMHAQSF-GOSISDBHSA-N 2 2 321.428 3.333 20 0 DGADLP Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177363736 432616476 /nfs/dbraw/zinc/61/64/76/432616476.db2.gz UVOWNQCJMHAQSF-GOSISDBHSA-N 2 2 321.428 3.333 20 0 DGADLP CCCOc1cccc2c(N3CC[C@@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000194721169 432571807 /nfs/dbraw/zinc/57/18/07/432571807.db2.gz KXWBXPHCSXDAIL-MRXNPFEDSA-N 2 2 323.440 3.474 20 0 DGADLP COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177013452 432576112 /nfs/dbraw/zinc/57/61/12/432576112.db2.gz ONTLCDPIJJWNEY-OAHLLOKOSA-N 2 2 322.412 3.469 20 0 DGADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177013452 432576115 /nfs/dbraw/zinc/57/61/15/432576115.db2.gz ONTLCDPIJJWNEY-OAHLLOKOSA-N 2 2 322.412 3.469 20 0 DGADLP c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177039141 432577687 /nfs/dbraw/zinc/57/76/87/432577687.db2.gz WPAWBVZEDIXPQD-KRWDZBQOSA-N 2 2 307.401 3.323 20 0 DGADLP c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177039141 432577690 /nfs/dbraw/zinc/57/76/90/432577690.db2.gz WPAWBVZEDIXPQD-KRWDZBQOSA-N 2 2 307.401 3.323 20 0 DGADLP c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177039124 432577926 /nfs/dbraw/zinc/57/79/26/432577926.db2.gz WPAWBVZEDIXPQD-QGZVFWFLSA-N 2 2 307.401 3.323 20 0 DGADLP c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000177039124 432577929 /nfs/dbraw/zinc/57/79/29/432577929.db2.gz WPAWBVZEDIXPQD-QGZVFWFLSA-N 2 2 307.401 3.323 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177196540 432595450 /nfs/dbraw/zinc/59/54/50/432595450.db2.gz IJXCSXKIMRBGOH-HOTGVXAUSA-N 2 2 314.458 3.127 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177196540 432595452 /nfs/dbraw/zinc/59/54/52/432595452.db2.gz IJXCSXKIMRBGOH-HOTGVXAUSA-N 2 2 314.458 3.127 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000187144064 432648545 /nfs/dbraw/zinc/64/85/45/432648545.db2.gz LEVVWEAFJUQGRP-INIZCTEOSA-N 2 2 308.491 3.008 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000187144064 432648547 /nfs/dbraw/zinc/64/85/47/432648547.db2.gz LEVVWEAFJUQGRP-INIZCTEOSA-N 2 2 308.491 3.008 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219576722 432663807 /nfs/dbraw/zinc/66/38/07/432663807.db2.gz FMHQTLVEDPHNKB-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219576722 432663808 /nfs/dbraw/zinc/66/38/08/432663808.db2.gz FMHQTLVEDPHNKB-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000274422700 432665506 /nfs/dbraw/zinc/66/55/06/432665506.db2.gz QQIYGIVTTPLQKL-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000274422700 432665510 /nfs/dbraw/zinc/66/55/10/432665510.db2.gz QQIYGIVTTPLQKL-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc(C2CC2)[nH+]1 ZINC000265355485 432692983 /nfs/dbraw/zinc/69/29/83/432692983.db2.gz KZINFJVQKKAOHZ-UHFFFAOYSA-N 2 2 323.444 3.134 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199250 432705971 /nfs/dbraw/zinc/70/59/71/432705971.db2.gz KSBXMWIDOPKJCE-ZIAGYGMSSA-N 2 2 309.417 3.326 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537362 432707086 /nfs/dbraw/zinc/70/70/86/432707086.db2.gz KGZXSQPGJCNLHS-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537362 432707090 /nfs/dbraw/zinc/70/70/90/432707090.db2.gz KGZXSQPGJCNLHS-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc2ccccc12 ZINC000227067732 432710159 /nfs/dbraw/zinc/71/01/59/432710159.db2.gz HGFOMUGUMMCWBO-FZMZJTMJSA-N 2 2 303.837 3.366 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)nc2ccccc12 ZINC000227067732 432710163 /nfs/dbraw/zinc/71/01/63/432710163.db2.gz HGFOMUGUMMCWBO-FZMZJTMJSA-N 2 2 303.837 3.366 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000178247837 432712287 /nfs/dbraw/zinc/71/22/87/432712287.db2.gz CNBCFEHTCPOFRR-APWZRJJASA-N 2 2 320.477 3.237 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178263687 432712830 /nfs/dbraw/zinc/71/28/30/432712830.db2.gz XSSYQWDEBAKERO-YJBOKZPZSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178263687 432712833 /nfs/dbraw/zinc/71/28/33/432712833.db2.gz XSSYQWDEBAKERO-YJBOKZPZSA-N 2 2 312.461 3.044 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870414 432718331 /nfs/dbraw/zinc/71/83/31/432718331.db2.gz FMNFWVHENQPHCZ-SNRMKQJTSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870414 432718334 /nfs/dbraw/zinc/71/83/34/432718334.db2.gz FMNFWVHENQPHCZ-SNRMKQJTSA-N 2 2 324.472 3.287 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265652510 432719350 /nfs/dbraw/zinc/71/93/50/432719350.db2.gz OVMDRVZFRBRNIU-QGZVFWFLSA-N 2 2 306.425 3.285 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265652510 432719352 /nfs/dbraw/zinc/71/93/52/432719352.db2.gz OVMDRVZFRBRNIU-QGZVFWFLSA-N 2 2 306.425 3.285 20 0 DGADLP CCn1nc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000274480705 432673216 /nfs/dbraw/zinc/67/32/16/432673216.db2.gz XRHIQLOMTWFAFH-UHFFFAOYSA-N 2 2 312.461 3.020 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000159306034 432677556 /nfs/dbraw/zinc/67/75/56/432677556.db2.gz ZOIZWVQKNKAGOR-OCCSQVGLSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)c1 ZINC000159306034 432677558 /nfs/dbraw/zinc/67/75/58/432677558.db2.gz ZOIZWVQKNKAGOR-OCCSQVGLSA-N 2 2 311.267 3.330 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000178033888 432686232 /nfs/dbraw/zinc/68/62/32/432686232.db2.gz GTRLZAFGCZSYCP-CYBMUJFWSA-N 2 2 312.429 3.225 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCOc3ccccc3)C2)cc1 ZINC000236612948 432751034 /nfs/dbraw/zinc/75/10/34/432751034.db2.gz AUKFGIJQXAKVOC-LJQANCHMSA-N 2 2 310.441 3.320 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCOc3ccccc3)C2)cc1 ZINC000236612948 432751037 /nfs/dbraw/zinc/75/10/37/432751037.db2.gz AUKFGIJQXAKVOC-LJQANCHMSA-N 2 2 310.441 3.320 20 0 DGADLP c1ccc([C@H](C[NH2+]Cc2cccc3c2OCO3)[NH+]2CCCC2)cc1 ZINC000236661965 432754977 /nfs/dbraw/zinc/75/49/77/432754977.db2.gz KTKHIWZLYUDSQP-SFHVURJKSA-N 2 2 324.424 3.342 20 0 DGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)[NH+](C)C ZINC000236685321 432756432 /nfs/dbraw/zinc/75/64/32/432756432.db2.gz UEORSFNTCUQJKC-RDJZCZTQSA-N 2 2 320.477 3.302 20 0 DGADLP c1[nH+]c2c(n1-c1ccccc1)CCN(CCC[NH+]1CCCCC1)C2 ZINC000275434218 432727139 /nfs/dbraw/zinc/72/71/39/432727139.db2.gz HYXBVGJCMUKESC-UHFFFAOYSA-N 2 2 324.472 3.106 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000423509601 288596035 /nfs/dbraw/zinc/59/60/35/288596035.db2.gz RRTNPRLUDRRJFL-MOPGFXCFSA-N 2 2 320.440 3.351 20 0 DGADLP CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000188579881 432732523 /nfs/dbraw/zinc/73/25/23/432732523.db2.gz CFDWYCIITOQAQD-FQEVSTJZSA-N 2 2 323.440 3.498 20 0 DGADLP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000188579881 432732530 /nfs/dbraw/zinc/73/25/30/432732530.db2.gz CFDWYCIITOQAQD-FQEVSTJZSA-N 2 2 323.440 3.498 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000235136422 432742395 /nfs/dbraw/zinc/74/23/95/432742395.db2.gz VDJRKENJOUIMNQ-LBPRGKRZSA-N 2 2 313.283 3.310 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)CS1 ZINC000277283690 432834481 /nfs/dbraw/zinc/83/44/81/432834481.db2.gz QTJAPYGQSZGWGI-GJZGRUSLSA-N 2 2 303.475 3.387 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277283230 432834672 /nfs/dbraw/zinc/83/46/72/432834672.db2.gz SLNYHZKHHHQJGF-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277283230 432834675 /nfs/dbraw/zinc/83/46/75/432834675.db2.gz SLNYHZKHHHQJGF-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)OCO2 ZINC000162916444 432837988 /nfs/dbraw/zinc/83/79/88/432837988.db2.gz QUHVGQBYZUHFHT-CQSZACIVSA-N 2 2 313.401 3.353 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237368053 432785231 /nfs/dbraw/zinc/78/52/31/432785231.db2.gz JZCYJEOHEIGMOO-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237368053 432785235 /nfs/dbraw/zinc/78/52/35/432785235.db2.gz JZCYJEOHEIGMOO-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000268025711 432838302 /nfs/dbraw/zinc/83/83/02/432838302.db2.gz JCPIYUPOHHEWDV-DZGCQCFKSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000268025711 432838305 /nfs/dbraw/zinc/83/83/05/432838305.db2.gz JCPIYUPOHHEWDV-DZGCQCFKSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266888452 432793926 /nfs/dbraw/zinc/79/39/26/432793926.db2.gz BXJIUNNOTLLHFY-GFCCVEGCSA-N 2 2 322.815 3.096 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000161896667 432802581 /nfs/dbraw/zinc/80/25/81/432802581.db2.gz XYUPAWRDETUTQY-NVXWUHKLSA-N 2 2 314.477 3.362 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000161896667 432802584 /nfs/dbraw/zinc/80/25/84/432802584.db2.gz XYUPAWRDETUTQY-NVXWUHKLSA-N 2 2 314.477 3.362 20 0 DGADLP C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267047628 432809846 /nfs/dbraw/zinc/80/98/46/432809846.db2.gz IUUUYEFWCYURKE-ZDUSSCGKSA-N 2 2 310.426 3.448 20 0 DGADLP C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267047628 432809849 /nfs/dbraw/zinc/80/98/49/432809849.db2.gz IUUUYEFWCYURKE-ZDUSSCGKSA-N 2 2 310.426 3.448 20 0 DGADLP [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000238054395 432810856 /nfs/dbraw/zinc/81/08/56/432810856.db2.gz ZQSMWIMIMDQZRK-KBPBESRZSA-N 2 2 311.385 3.330 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000162144878 432813620 /nfs/dbraw/zinc/81/36/20/432813620.db2.gz BFDNKJLYSQNLGH-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000245867890 432866480 /nfs/dbraw/zinc/86/64/80/432866480.db2.gz IWAUGXUQXDIDCZ-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000245867890 432866482 /nfs/dbraw/zinc/86/64/82/432866482.db2.gz IWAUGXUQXDIDCZ-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711348 432871950 /nfs/dbraw/zinc/87/19/50/432871950.db2.gz MTDSCDFITCFIAV-HNNXBMFYSA-N 2 2 315.383 3.407 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711348 432871952 /nfs/dbraw/zinc/87/19/52/432871952.db2.gz MTDSCDFITCFIAV-HNNXBMFYSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711348 432871955 /nfs/dbraw/zinc/87/19/55/432871955.db2.gz MTDSCDFITCFIAV-HNNXBMFYSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711348 432871957 /nfs/dbraw/zinc/87/19/57/432871957.db2.gz MTDSCDFITCFIAV-HNNXBMFYSA-N 2 2 315.383 3.407 20 0 DGADLP CCC[C@@H](O)C[NH+]1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000296302965 432894478 /nfs/dbraw/zinc/89/44/78/432894478.db2.gz MWZQGKGWXZNEBM-MRXNPFEDSA-N 2 2 315.461 3.397 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC3CCCCCC3)c12 ZINC000162981032 432840562 /nfs/dbraw/zinc/84/05/62/432840562.db2.gz MAXCOAOWPPJIRD-UHFFFAOYSA-N 2 2 308.389 3.345 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1nccs1 ZINC000268044493 432840886 /nfs/dbraw/zinc/84/08/86/432840886.db2.gz PQVSZRDIDVGEBH-WBVHZDCISA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1nccs1 ZINC000268044493 432840888 /nfs/dbraw/zinc/84/08/88/432840888.db2.gz PQVSZRDIDVGEBH-WBVHZDCISA-N 2 2 315.486 3.186 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1O ZINC000277361258 432842476 /nfs/dbraw/zinc/84/24/76/432842476.db2.gz ZVGQNWYKAXKWGM-JKSUJKDBSA-N 2 2 320.477 3.186 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[NH+]1CCC(C)CC1 ZINC000245550510 432842988 /nfs/dbraw/zinc/84/29/88/432842988.db2.gz HSWZMNRWPCTEJS-TVFCKZIOSA-N 2 2 306.494 3.044 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000245578565 432845892 /nfs/dbraw/zinc/84/58/92/432845892.db2.gz BRFNGFIETLRBCP-RHSMWYFYSA-N 2 2 319.474 3.495 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000245578565 432845896 /nfs/dbraw/zinc/84/58/96/432845896.db2.gz BRFNGFIETLRBCP-RHSMWYFYSA-N 2 2 319.474 3.495 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000245574247 432846954 /nfs/dbraw/zinc/84/69/54/432846954.db2.gz DGUUGFNHHMFMLF-HBMCJLEFSA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000245574247 432846956 /nfs/dbraw/zinc/84/69/56/432846956.db2.gz DGUUGFNHHMFMLF-HBMCJLEFSA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC000277540383 432858780 /nfs/dbraw/zinc/85/87/80/432858780.db2.gz ZGBCTVUFPNOZKL-ZIAGYGMSSA-N 2 2 324.432 3.355 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCn1cnc2ccccc21 ZINC000289201985 432933308 /nfs/dbraw/zinc/93/33/08/432933308.db2.gz HUVRNCHUFVVZGU-UHFFFAOYSA-N 2 2 308.429 3.352 20 0 DGADLP CCC(=O)CCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000289251864 432937731 /nfs/dbraw/zinc/93/77/31/432937731.db2.gz BLSKSAUZZWGUHR-UHFFFAOYSA-N 2 2 317.477 3.379 20 0 DGADLP CCC(=O)CCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000289251864 432937734 /nfs/dbraw/zinc/93/77/34/432937734.db2.gz BLSKSAUZZWGUHR-UHFFFAOYSA-N 2 2 317.477 3.379 20 0 DGADLP COc1ccc(OC)c(CC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289250622 432938086 /nfs/dbraw/zinc/93/80/86/432938086.db2.gz LWMUPBGUZNJJHZ-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288926348 432906119 /nfs/dbraw/zinc/90/61/19/432906119.db2.gz VIAZQKASNBOXEK-CRAIPNDOSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288926348 432906121 /nfs/dbraw/zinc/90/61/21/432906121.db2.gz VIAZQKASNBOXEK-CRAIPNDOSA-N 2 2 324.428 3.175 20 0 DGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000296423463 432906714 /nfs/dbraw/zinc/90/67/14/432906714.db2.gz MVPNIWVASWVYNP-JTDSTZFVSA-N 2 2 301.478 3.460 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000296487939 432913686 /nfs/dbraw/zinc/91/36/86/432913686.db2.gz PMSJKNDUFSSHCZ-ROUUACIJSA-N 2 2 324.472 3.218 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000296487939 432913690 /nfs/dbraw/zinc/91/36/90/432913690.db2.gz PMSJKNDUFSSHCZ-ROUUACIJSA-N 2 2 324.472 3.218 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)cc2[nH+]1 ZINC000332095748 432973814 /nfs/dbraw/zinc/97/38/14/432973814.db2.gz NZEQCLSQCFCCHR-TUAOUCFPSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)cc2[nH+]1 ZINC000332095748 432973820 /nfs/dbraw/zinc/97/38/20/432973820.db2.gz NZEQCLSQCFCCHR-TUAOUCFPSA-N 2 2 300.406 3.071 20 0 DGADLP C=Cn1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)cn1 ZINC000279679270 432991452 /nfs/dbraw/zinc/99/14/52/432991452.db2.gz IVXAOAHYSGZDQA-UHFFFAOYSA-N 2 2 321.428 3.479 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000349724048 432998157 /nfs/dbraw/zinc/99/81/57/432998157.db2.gz SQRCPUGAKWVSOB-DOEAQHAXSA-N 2 2 318.436 3.261 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000349724048 432998161 /nfs/dbraw/zinc/99/81/61/432998161.db2.gz SQRCPUGAKWVSOB-DOEAQHAXSA-N 2 2 318.436 3.261 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000349724050 432998261 /nfs/dbraw/zinc/99/82/61/432998261.db2.gz SQRCPUGAKWVSOB-UEILYKACSA-N 2 2 318.436 3.261 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000349724050 432998264 /nfs/dbraw/zinc/99/82/64/432998264.db2.gz SQRCPUGAKWVSOB-UEILYKACSA-N 2 2 318.436 3.261 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000332345266 433000100 /nfs/dbraw/zinc/00/01/00/433000100.db2.gz RPJJVMRNGPETRA-CQSZACIVSA-N 2 2 314.433 3.362 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000332345266 433000105 /nfs/dbraw/zinc/00/01/05/433000105.db2.gz RPJJVMRNGPETRA-CQSZACIVSA-N 2 2 314.433 3.362 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349424681 432958579 /nfs/dbraw/zinc/95/85/79/432958579.db2.gz UGOSGYLRJXXKSD-RXQRSOPUSA-N 2 2 302.462 3.053 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349424681 432958588 /nfs/dbraw/zinc/95/85/88/432958588.db2.gz UGOSGYLRJXXKSD-RXQRSOPUSA-N 2 2 302.462 3.053 20 0 DGADLP Cc1cnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C ZINC000341255484 433007895 /nfs/dbraw/zinc/00/78/95/433007895.db2.gz DLXIUAJPYBPOLB-CQSZACIVSA-N 2 2 309.417 3.073 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000290209248 433013680 /nfs/dbraw/zinc/01/36/80/433013680.db2.gz HDECTAAHXOVDFF-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000290209248 433013685 /nfs/dbraw/zinc/01/36/85/433013685.db2.gz HDECTAAHXOVDFF-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC000349817433 433015488 /nfs/dbraw/zinc/01/54/88/433015488.db2.gz WKIMNHHZVYQFPT-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC000349817433 433015495 /nfs/dbraw/zinc/01/54/95/433015495.db2.gz WKIMNHHZVYQFPT-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc(Cl)c1O ZINC000297777931 433017333 /nfs/dbraw/zinc/01/73/33/433017333.db2.gz VZMNIECZMLTAII-ABAIWWIYSA-N 2 2 324.852 3.017 20 0 DGADLP Cc1cnn(-c2cc[nH+]cc2NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000341294026 433020415 /nfs/dbraw/zinc/02/04/15/433020415.db2.gz XAECNGOAOYTQCX-UHFFFAOYSA-N 2 2 318.384 3.144 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2ccccn2)c1 ZINC000290323512 433032314 /nfs/dbraw/zinc/03/23/14/433032314.db2.gz DDTLILCBDVPUJB-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2ccccn2)c1 ZINC000290323512 433032318 /nfs/dbraw/zinc/03/23/18/433032318.db2.gz DDTLILCBDVPUJB-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000290325880 433033285 /nfs/dbraw/zinc/03/32/85/433033285.db2.gz ALJAPACUARUFEO-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000290365013 433038546 /nfs/dbraw/zinc/03/85/46/433038546.db2.gz QYNJRWWEJPTWHX-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000290365013 433038548 /nfs/dbraw/zinc/03/85/48/433038548.db2.gz QYNJRWWEJPTWHX-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341367905 433040163 /nfs/dbraw/zinc/04/01/63/433040163.db2.gz GFXBPEWNEKPXLK-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000290381984 433042376 /nfs/dbraw/zinc/04/23/76/433042376.db2.gz IEMMSPVRHSOPIM-UHFFFAOYSA-N 2 2 323.444 3.467 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC(c4ccncn4)CC3)cc2)c[nH+]1 ZINC000298096409 433048542 /nfs/dbraw/zinc/04/85/42/433048542.db2.gz IMXHXXOQGFFSRJ-UHFFFAOYSA-N 2 2 319.412 3.042 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000156185507 292725588 /nfs/dbraw/zinc/72/55/88/292725588.db2.gz HXTSHHNBHFJLRB-VQTJNVASSA-N 2 2 312.457 3.137 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000188112068 289309483 /nfs/dbraw/zinc/30/94/83/289309483.db2.gz CJHNIZKPHXPWEJ-BBWFWOEESA-N 2 2 316.424 3.101 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000227535601 289365422 /nfs/dbraw/zinc/36/54/22/289365422.db2.gz LHDMFEFPJJAMMG-BZUAXINKSA-N 2 2 301.459 3.085 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299265 433074270 /nfs/dbraw/zinc/07/42/70/433074270.db2.gz XBIHYYFBSJHHKF-PMACEKPBSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299265 433074281 /nfs/dbraw/zinc/07/42/81/433074281.db2.gz XBIHYYFBSJHHKF-PMACEKPBSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1csc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000341473260 433078307 /nfs/dbraw/zinc/07/83/07/433078307.db2.gz INFUVIQVGPCRAR-CQSZACIVSA-N 2 2 316.474 3.162 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000280567690 433088002 /nfs/dbraw/zinc/08/80/02/433088002.db2.gz VTAIKIZZWCFWKM-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000280567690 433088015 /nfs/dbraw/zinc/08/80/15/433088015.db2.gz VTAIKIZZWCFWKM-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000373109434 433097075 /nfs/dbraw/zinc/09/70/75/433097075.db2.gz GNGDSTJDXCATRS-CYBMUJFWSA-N 2 2 304.463 3.209 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000373109434 433097078 /nfs/dbraw/zinc/09/70/78/433097078.db2.gz GNGDSTJDXCATRS-CYBMUJFWSA-N 2 2 304.463 3.209 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749355 433097174 /nfs/dbraw/zinc/09/71/74/433097174.db2.gz ADYMVSWMSPNFTN-ROUUACIJSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749355 433097187 /nfs/dbraw/zinc/09/71/87/433097187.db2.gz ADYMVSWMSPNFTN-ROUUACIJSA-N 2 2 308.441 3.223 20 0 DGADLP COCc1cc(NCCCn2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000290556756 433098098 /nfs/dbraw/zinc/09/80/98/433098098.db2.gz RDCANFDHIHKZDJ-UHFFFAOYSA-N 2 2 314.364 3.219 20 0 DGADLP c1ccc(COc2ccc[nH+]c2N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420226141 433129470 /nfs/dbraw/zinc/12/94/70/433129470.db2.gz KZLOKHZSQPTVED-UHFFFAOYSA-N 2 2 323.440 3.241 20 0 DGADLP CCC(CC)(CCO)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361364147 433129573 /nfs/dbraw/zinc/12/95/73/433129573.db2.gz BSDKJMVECQRUBA-UHFFFAOYSA-N 2 2 324.431 3.182 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000446930753 433133068 /nfs/dbraw/zinc/13/30/68/433133068.db2.gz XRJCLLCIJJHBSE-QRFRQXIXSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000446930753 433133079 /nfs/dbraw/zinc/13/30/79/433133079.db2.gz XRJCLLCIJJHBSE-QRFRQXIXSA-N 2 2 316.489 3.443 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000361377762 433138825 /nfs/dbraw/zinc/13/88/25/433138825.db2.gz PHLXADXZSKYIKX-RDJZCZTQSA-N 2 2 315.461 3.075 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000361377762 433138833 /nfs/dbraw/zinc/13/88/33/433138833.db2.gz PHLXADXZSKYIKX-RDJZCZTQSA-N 2 2 315.461 3.075 20 0 DGADLP c1c2ccccc2[nH]c1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341511545 433105703 /nfs/dbraw/zinc/10/57/03/433105703.db2.gz ILDMNPAGKZQOAO-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000446804580 433106021 /nfs/dbraw/zinc/10/60/21/433106021.db2.gz UQOGGRNADDONRF-LBPRGKRZSA-N 2 2 307.800 3.213 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828462 433110933 /nfs/dbraw/zinc/11/09/33/433110933.db2.gz UWONMVBMLNATMC-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828462 433110940 /nfs/dbraw/zinc/11/09/40/433110940.db2.gz UWONMVBMLNATMC-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)nc(C2CC2)[nH+]1 ZINC000341522248 433112825 /nfs/dbraw/zinc/11/28/25/433112825.db2.gz VLLGHXDCBPSLHZ-QGZVFWFLSA-N 2 2 316.493 3.831 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1OC ZINC000354660798 433208643 /nfs/dbraw/zinc/20/86/43/433208643.db2.gz LWOCGQYGAYMAKF-DLTWYDFYSA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1OC ZINC000354660798 433208653 /nfs/dbraw/zinc/20/86/53/433208653.db2.gz LWOCGQYGAYMAKF-DLTWYDFYSA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1OC ZINC000354660804 433209058 /nfs/dbraw/zinc/20/90/58/433209058.db2.gz LWOCGQYGAYMAKF-WBTNSWJXSA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1OC ZINC000354660804 433209066 /nfs/dbraw/zinc/20/90/66/433209066.db2.gz LWOCGQYGAYMAKF-WBTNSWJXSA-N 2 2 320.477 3.268 20 0 DGADLP CCc1ncc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000447080425 433158837 /nfs/dbraw/zinc/15/88/37/433158837.db2.gz VOIKKTUQCHHBCC-UHFFFAOYSA-N 2 2 317.458 3.452 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c[nH+]1 ZINC000354578849 433159064 /nfs/dbraw/zinc/15/90/64/433159064.db2.gz SWESFSWWEVASIA-IVZQSRNASA-N 2 2 316.470 3.411 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000420316891 433160363 /nfs/dbraw/zinc/16/03/63/433160363.db2.gz NZAGTMTYENKCMC-HUUCEWRRSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000420316891 433160371 /nfs/dbraw/zinc/16/03/71/433160371.db2.gz NZAGTMTYENKCMC-HUUCEWRRSA-N 2 2 308.853 3.169 20 0 DGADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000425337585 433171816 /nfs/dbraw/zinc/17/18/16/433171816.db2.gz NZATZLHWFYAXLC-CQSZACIVSA-N 2 2 304.463 3.193 20 0 DGADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000425337585 433171823 /nfs/dbraw/zinc/17/18/23/433171823.db2.gz NZATZLHWFYAXLC-CQSZACIVSA-N 2 2 304.463 3.193 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)n1C ZINC000425337827 433174911 /nfs/dbraw/zinc/17/49/11/433174911.db2.gz OINCBEFOBNMXBO-QGZVFWFLSA-N 2 2 312.461 3.112 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000420354936 433175047 /nfs/dbraw/zinc/17/50/47/433175047.db2.gz DPKBPKBAJPPBIQ-AWEZNQCLSA-N 2 2 307.825 3.458 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)C1CCCCC1 ZINC000420354756 433177507 /nfs/dbraw/zinc/17/75/07/433177507.db2.gz BLUHTMMYDBJNJB-OAHLLOKOSA-N 2 2 305.447 3.400 20 0 DGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338857 433178376 /nfs/dbraw/zinc/17/83/76/433178376.db2.gz QHBNGMGFXFIYCR-ZFWWWQNUSA-N 2 2 316.424 3.003 20 0 DGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338857 433178386 /nfs/dbraw/zinc/17/83/86/433178386.db2.gz QHBNGMGFXFIYCR-ZFWWWQNUSA-N 2 2 316.424 3.003 20 0 DGADLP Cc1cc(F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000425340956 433180091 /nfs/dbraw/zinc/18/00/91/433180091.db2.gz WMZBFOBKONZHAJ-CQSZACIVSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1cc(F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000425340956 433180098 /nfs/dbraw/zinc/18/00/98/433180098.db2.gz WMZBFOBKONZHAJ-CQSZACIVSA-N 2 2 304.340 3.322 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)n1C ZINC000425339523 433180746 /nfs/dbraw/zinc/18/07/46/433180746.db2.gz SPSJUZALULXNBJ-IBGZPJMESA-N 2 2 312.461 3.040 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)n1C ZINC000425339523 433180753 /nfs/dbraw/zinc/18/07/53/433180753.db2.gz SPSJUZALULXNBJ-IBGZPJMESA-N 2 2 312.461 3.040 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420374395 433186549 /nfs/dbraw/zinc/18/65/49/433186549.db2.gz RWEWJSPXHCGAKY-PBHICJAKSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000336713657 433186785 /nfs/dbraw/zinc/18/67/85/433186785.db2.gz NIONRTVRVKHRMP-KRWDZBQOSA-N 2 2 310.445 3.017 20 0 DGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000336713657 433186798 /nfs/dbraw/zinc/18/67/98/433186798.db2.gz NIONRTVRVKHRMP-KRWDZBQOSA-N 2 2 310.445 3.017 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420374396 433186972 /nfs/dbraw/zinc/18/69/72/433186972.db2.gz RWEWJSPXHCGAKY-RHSMWYFYSA-N 2 2 317.477 3.116 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445343 433191899 /nfs/dbraw/zinc/19/18/99/433191899.db2.gz YKJLJRQKNRDNJM-WMLDXEAASA-N 2 2 323.431 3.317 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445343 433191910 /nfs/dbraw/zinc/19/19/10/433191910.db2.gz YKJLJRQKNRDNJM-WMLDXEAASA-N 2 2 323.431 3.317 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1F ZINC000420390883 433193747 /nfs/dbraw/zinc/19/37/47/433193747.db2.gz RNBWHCDNCZDDIT-DUVNUKRYSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1F ZINC000420390883 433193753 /nfs/dbraw/zinc/19/37/53/433193753.db2.gz RNBWHCDNCZDDIT-DUVNUKRYSA-N 2 2 312.379 3.378 20 0 DGADLP Cc1cccc([C@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)(C)C)c1 ZINC000420416211 433199613 /nfs/dbraw/zinc/19/96/13/433199613.db2.gz VKLGRHROPCYHJQ-HNNXBMFYSA-N 2 2 316.449 3.449 20 0 DGADLP [NH3+]Cc1nc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)no1 ZINC000420408171 433201032 /nfs/dbraw/zinc/20/10/32/433201032.db2.gz PCLSWQGRMQXSAI-MRXNPFEDSA-N 2 2 320.824 3.203 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000420420630 433202306 /nfs/dbraw/zinc/20/23/06/433202306.db2.gz YBKNDTRBLDCYNC-DGCLKSJQSA-N 2 2 321.371 3.037 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000420420630 433202313 /nfs/dbraw/zinc/20/23/13/433202313.db2.gz YBKNDTRBLDCYNC-DGCLKSJQSA-N 2 2 321.371 3.037 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3C[C@]4(CCCO4)[C@@H]3C3CC3)c2)c[nH+]1 ZINC000354710714 433225027 /nfs/dbraw/zinc/22/50/27/433225027.db2.gz HJAXRTLAPFWEME-DLBZAZTESA-N 2 2 315.442 3.077 20 0 DGADLP c1cn(-c2csc(C[N@H+]3C[C@]4(CCCO4)[C@@H]3C3CC3)c2)c[nH+]1 ZINC000354710714 433225038 /nfs/dbraw/zinc/22/50/38/433225038.db2.gz HJAXRTLAPFWEME-DLBZAZTESA-N 2 2 315.442 3.077 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000447568942 433230696 /nfs/dbraw/zinc/23/06/96/433230696.db2.gz AEPCFZTYOAWVAH-GVDBMIGSSA-N 2 2 306.494 3.046 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000447568942 433230702 /nfs/dbraw/zinc/23/07/02/433230702.db2.gz AEPCFZTYOAWVAH-GVDBMIGSSA-N 2 2 306.494 3.046 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000453618984 433243235 /nfs/dbraw/zinc/24/32/35/433243235.db2.gz JARHJHSEXZIAIE-IBGZPJMESA-N 2 2 318.461 3.376 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000453618984 433243247 /nfs/dbraw/zinc/24/32/47/433243247.db2.gz JARHJHSEXZIAIE-IBGZPJMESA-N 2 2 318.461 3.376 20 0 DGADLP c1cc(C[N@@H+]2CCCC23CCC3)cc(C[NH+]2CCOCC2)c1 ZINC000420924862 433321649 /nfs/dbraw/zinc/32/16/49/433321649.db2.gz URPMIOVILDVWFJ-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP c1cc(C[N@H+]2CCCC23CCC3)cc(C[NH+]2CCOCC2)c1 ZINC000420924862 433321657 /nfs/dbraw/zinc/32/16/57/433321657.db2.gz URPMIOVILDVWFJ-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000350892847 433322561 /nfs/dbraw/zinc/32/25/61/433322561.db2.gz FBIRZIOTSJVNMV-GTAWCEEGSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000350892847 433322573 /nfs/dbraw/zinc/32/25/73/433322573.db2.gz FBIRZIOTSJVNMV-GTAWCEEGSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC(C)=C(C)C3)c2cc1C ZINC000361611645 433290097 /nfs/dbraw/zinc/29/00/97/433290097.db2.gz RAGVPPRLWGIZBA-QGZVFWFLSA-N 2 2 313.445 3.056 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC(C)=C(C)C3)c2cc1C ZINC000361611645 433290105 /nfs/dbraw/zinc/29/01/05/433290105.db2.gz RAGVPPRLWGIZBA-QGZVFWFLSA-N 2 2 313.445 3.056 20 0 DGADLP CCc1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000291646477 433296918 /nfs/dbraw/zinc/29/69/18/433296918.db2.gz AEOPXGYHCYQFLH-UHFFFAOYSA-N 2 2 313.445 3.300 20 0 DGADLP CC(C)[C@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835185 433307022 /nfs/dbraw/zinc/30/70/22/433307022.db2.gz MWIOFUNLBFKXSV-PKOBYXMFSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835185 433307027 /nfs/dbraw/zinc/30/70/27/433307027.db2.gz MWIOFUNLBFKXSV-PKOBYXMFSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835185 433307035 /nfs/dbraw/zinc/30/70/35/433307035.db2.gz MWIOFUNLBFKXSV-PKOBYXMFSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835185 433307042 /nfs/dbraw/zinc/30/70/42/433307042.db2.gz MWIOFUNLBFKXSV-PKOBYXMFSA-N 2 2 304.478 3.254 20 0 DGADLP c1ccc2c(c1)CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420908970 433308142 /nfs/dbraw/zinc/30/81/42/433308142.db2.gz XFQRHKPSSLUCPL-UHFFFAOYSA-N 2 2 322.452 3.077 20 0 DGADLP c1ccc2c(c1)CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420908970 433308148 /nfs/dbraw/zinc/30/81/48/433308148.db2.gz XFQRHKPSSLUCPL-UHFFFAOYSA-N 2 2 322.452 3.077 20 0 DGADLP C[C@H]1CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914630 433311099 /nfs/dbraw/zinc/31/10/99/433311099.db2.gz CONKBRJVGRCCIC-KRWDZBQOSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@H]1CCCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914630 433311109 /nfs/dbraw/zinc/31/11/09/433311109.db2.gz CONKBRJVGRCCIC-KRWDZBQOSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1OCCc2sccc21 ZINC000291772582 433346797 /nfs/dbraw/zinc/34/67/97/433346797.db2.gz TUPPZBLANVUTNV-SJKOYZFVSA-N 2 2 313.426 3.188 20 0 DGADLP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420967602 433357985 /nfs/dbraw/zinc/35/79/85/433357985.db2.gz UMNDJQMUPALDSL-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP Cc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420967602 433357991 /nfs/dbraw/zinc/35/79/91/433357991.db2.gz UMNDJQMUPALDSL-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C)C2 ZINC000425927639 433378177 /nfs/dbraw/zinc/37/81/77/433378177.db2.gz XALOEWKBBRLKIM-NUJGCVRESA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C)C2 ZINC000425927639 433378186 /nfs/dbraw/zinc/37/81/86/433378186.db2.gz XALOEWKBBRLKIM-NUJGCVRESA-N 2 2 316.489 3.405 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066129 433371422 /nfs/dbraw/zinc/37/14/22/433371422.db2.gz PGLVTSZJEHFQPA-FUHWJXTLSA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066129 433371430 /nfs/dbraw/zinc/37/14/30/433371430.db2.gz PGLVTSZJEHFQPA-FUHWJXTLSA-N 2 2 320.477 3.011 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C2 ZINC000425923652 433375122 /nfs/dbraw/zinc/37/51/22/433375122.db2.gz SPZIUQKINLXEOA-UYAOXDASSA-N 2 2 324.468 3.445 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885719 433334057 /nfs/dbraw/zinc/33/40/57/433334057.db2.gz FZCACZPFVUTRPU-IUODEOHRSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885719 433334067 /nfs/dbraw/zinc/33/40/67/433334067.db2.gz FZCACZPFVUTRPU-IUODEOHRSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885719 433334076 /nfs/dbraw/zinc/33/40/76/433334076.db2.gz FZCACZPFVUTRPU-IUODEOHRSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885719 433334086 /nfs/dbraw/zinc/33/40/86/433334086.db2.gz FZCACZPFVUTRPU-IUODEOHRSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+](CC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341893079 433339307 /nfs/dbraw/zinc/33/93/07/433339307.db2.gz RECBVOYASCYDDV-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP CC[N@@H+](CC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341893079 433339316 /nfs/dbraw/zinc/33/93/16/433339316.db2.gz RECBVOYASCYDDV-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+](CC1CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341893079 433339326 /nfs/dbraw/zinc/33/93/26/433339326.db2.gz RECBVOYASCYDDV-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+](CC1CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341893079 433339335 /nfs/dbraw/zinc/33/93/35/433339335.db2.gz RECBVOYASCYDDV-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890660 433340743 /nfs/dbraw/zinc/34/07/43/433340743.db2.gz MRNNJMWXDHHFTQ-WSTZPKSXSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890660 433340753 /nfs/dbraw/zinc/34/07/53/433340753.db2.gz MRNNJMWXDHHFTQ-WSTZPKSXSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890660 433340761 /nfs/dbraw/zinc/34/07/61/433340761.db2.gz MRNNJMWXDHHFTQ-WSTZPKSXSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341890660 433340770 /nfs/dbraw/zinc/34/07/70/433340770.db2.gz MRNNJMWXDHHFTQ-WSTZPKSXSA-N 2 2 316.489 3.398 20 0 DGADLP CSCc1cnc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000339186575 433425800 /nfs/dbraw/zinc/42/58/00/433425800.db2.gz WFFQFIKOOJMSDG-UHFFFAOYSA-N 2 2 313.536 3.359 20 0 DGADLP Fc1cc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000361865444 433429140 /nfs/dbraw/zinc/42/91/40/433429140.db2.gz NSQRGUMTIOGFMJ-LBPRGKRZSA-N 2 2 323.799 3.461 20 0 DGADLP Fc1cc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000361865444 433429152 /nfs/dbraw/zinc/42/91/52/433429152.db2.gz NSQRGUMTIOGFMJ-LBPRGKRZSA-N 2 2 323.799 3.461 20 0 DGADLP Cc1ccc2cc([C@@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)oc2c1 ZINC000425955602 433383246 /nfs/dbraw/zinc/38/32/46/433383246.db2.gz SYEVOMOFMPZUDV-OAHLLOKOSA-N 2 2 316.445 3.239 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCC2 ZINC000375271132 433407147 /nfs/dbraw/zinc/40/71/47/433407147.db2.gz YHLORXNHDIJUJT-CVEARBPZSA-N 2 2 303.450 3.047 20 0 DGADLP Fc1cc(F)cc([C@@]2(F)CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000375284389 433409710 /nfs/dbraw/zinc/40/97/10/433409710.db2.gz OJEJHDITEHAHJG-MRXNPFEDSA-N 2 2 309.335 3.122 20 0 DGADLP Fc1cc(F)cc([C@@]2(F)CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000375284389 433409722 /nfs/dbraw/zinc/40/97/22/433409722.db2.gz OJEJHDITEHAHJG-MRXNPFEDSA-N 2 2 309.335 3.122 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000339210095 433436273 /nfs/dbraw/zinc/43/62/73/433436273.db2.gz LVEXDSYVBSXURV-IKGGRYGDSA-N 2 2 321.465 3.011 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)C1 ZINC000361891320 433437528 /nfs/dbraw/zinc/43/75/28/433437528.db2.gz WTVMDUXLNDDVQB-MNZLEMJZSA-N 2 2 301.478 3.460 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100744 433458494 /nfs/dbraw/zinc/45/84/94/433458494.db2.gz HWFSGUNONDUEQC-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100744 433458509 /nfs/dbraw/zinc/45/85/09/433458509.db2.gz HWFSGUNONDUEQC-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100744 433458517 /nfs/dbraw/zinc/45/85/17/433458517.db2.gz HWFSGUNONDUEQC-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100744 433458526 /nfs/dbraw/zinc/45/85/26/433458526.db2.gz HWFSGUNONDUEQC-GOSISDBHSA-N 2 2 315.392 3.008 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000355108505 433465936 /nfs/dbraw/zinc/46/59/36/433465936.db2.gz DBFBUQTZGXOFDT-URSIVYNOSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000355108505 433465944 /nfs/dbraw/zinc/46/59/44/433465944.db2.gz DBFBUQTZGXOFDT-URSIVYNOSA-N 2 2 322.493 3.105 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CCC2 ZINC000361972730 433474162 /nfs/dbraw/zinc/47/41/62/433474162.db2.gz TUMOSOAPWIXCRS-ROUUACIJSA-N 2 2 320.502 3.100 20 0 DGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCCSC1 ZINC000355127890 433481001 /nfs/dbraw/zinc/48/10/01/433481001.db2.gz TXOKNNGWIVHILY-QGZVFWFLSA-N 2 2 308.491 3.167 20 0 DGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCCSC1 ZINC000355127890 433481009 /nfs/dbraw/zinc/48/10/09/433481009.db2.gz TXOKNNGWIVHILY-QGZVFWFLSA-N 2 2 308.491 3.167 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000282062671 433483494 /nfs/dbraw/zinc/48/34/94/433483494.db2.gz GTJZUMFHIQNCBF-YTQUADARSA-N 2 2 304.478 3.393 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414283669 433511073 /nfs/dbraw/zinc/51/10/73/433511073.db2.gz PKTLZDFITKRUBQ-BQUOXIOCSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414283669 433511104 /nfs/dbraw/zinc/51/11/04/433511104.db2.gz PKTLZDFITKRUBQ-BQUOXIOCSA-N 2 2 302.462 3.053 20 0 DGADLP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351437499 433512007 /nfs/dbraw/zinc/51/20/07/433512007.db2.gz BUDROCYLECOCKF-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351437499 433512021 /nfs/dbraw/zinc/51/20/21/433512021.db2.gz BUDROCYLECOCKF-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](Cc1ccc2ccccc2c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351437499 433512031 /nfs/dbraw/zinc/51/20/31/433512031.db2.gz BUDROCYLECOCKF-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](Cc1ccc2ccccc2c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351437499 433512037 /nfs/dbraw/zinc/51/20/37/433512037.db2.gz BUDROCYLECOCKF-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286917 433513165 /nfs/dbraw/zinc/51/31/65/433513165.db2.gz NSQUAQFSCPBLAQ-XOYOTBSWSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286917 433513171 /nfs/dbraw/zinc/51/31/71/433513171.db2.gz NSQUAQFSCPBLAQ-XOYOTBSWSA-N 2 2 305.441 3.162 20 0 DGADLP Clc1cccc2c(NCC[NH+]3CCSCC3)cc[nH+]c12 ZINC000342167110 433513378 /nfs/dbraw/zinc/51/33/78/433513378.db2.gz RQKPRECYKREUBQ-UHFFFAOYSA-N 2 2 307.850 3.349 20 0 DGADLP CCOC(=O)[C@H](CC)[N@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000355182333 433513385 /nfs/dbraw/zinc/51/33/85/433513385.db2.gz UQVUYMNJANRSPO-KRWDZBQOSA-N 2 2 304.434 3.129 20 0 DGADLP CCOC(=O)[C@H](CC)[N@@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000355182333 433513394 /nfs/dbraw/zinc/51/33/94/433513394.db2.gz UQVUYMNJANRSPO-KRWDZBQOSA-N 2 2 304.434 3.129 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351511795 433541448 /nfs/dbraw/zinc/54/14/48/433541448.db2.gz DFVMBWYWBCRGEL-ZVZYQTTQSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351511795 433541454 /nfs/dbraw/zinc/54/14/54/433541454.db2.gz DFVMBWYWBCRGEL-ZVZYQTTQSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000351511795 433541461 /nfs/dbraw/zinc/54/14/61/433541461.db2.gz DFVMBWYWBCRGEL-ZVZYQTTQSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351511795 433541470 /nfs/dbraw/zinc/54/14/70/433541470.db2.gz DFVMBWYWBCRGEL-ZVZYQTTQSA-N 2 2 320.477 3.070 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000414303720 433527839 /nfs/dbraw/zinc/52/78/39/433527839.db2.gz LXPRSBAESPSYDD-RYRKJORJSA-N 2 2 302.462 3.197 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414303720 433527848 /nfs/dbraw/zinc/52/78/48/433527848.db2.gz LXPRSBAESPSYDD-RYRKJORJSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304498 433529952 /nfs/dbraw/zinc/52/99/52/433529952.db2.gz WGMCUAYSNSDVET-YSHGAJCASA-N 2 2 304.478 3.035 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(C)C ZINC000414304498 433529956 /nfs/dbraw/zinc/52/99/56/433529956.db2.gz WGMCUAYSNSDVET-YSHGAJCASA-N 2 2 304.478 3.035 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)s1 ZINC000355203381 433531862 /nfs/dbraw/zinc/53/18/62/433531862.db2.gz FERSXEGGMQXXNI-BNOWGMLFSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)s1 ZINC000355203381 433531868 /nfs/dbraw/zinc/53/18/68/433531868.db2.gz FERSXEGGMQXXNI-BNOWGMLFSA-N 2 2 314.882 3.085 20 0 DGADLP Cc1ccc(Br)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000414254967 433488318 /nfs/dbraw/zinc/48/83/18/433488318.db2.gz JIXMIXSMZDYORU-UHFFFAOYSA-N 2 2 323.278 3.474 20 0 DGADLP CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000421399976 433550063 /nfs/dbraw/zinc/55/00/63/433550063.db2.gz JBPXYQAFZOHCRT-UHFFFAOYSA-N 2 2 324.432 3.070 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000301427614 433551274 /nfs/dbraw/zinc/55/12/74/433551274.db2.gz PLZJCFJQWKEIHB-CJNGLKHVSA-N 2 2 302.447 3.342 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000301427614 433551283 /nfs/dbraw/zinc/55/12/83/433551283.db2.gz PLZJCFJQWKEIHB-CJNGLKHVSA-N 2 2 302.447 3.342 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccnc1 ZINC000414338701 433556877 /nfs/dbraw/zinc/55/68/77/433556877.db2.gz RUCFDGKCJTUBIU-UHFFFAOYSA-N 2 2 324.472 3.008 20 0 DGADLP COc1ccc(C)cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351544695 433563706 /nfs/dbraw/zinc/56/37/06/433563706.db2.gz JWLJXRKTBQYNQI-UHFFFAOYSA-N 2 2 308.385 3.256 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414359188 433567330 /nfs/dbraw/zinc/56/73/30/433567330.db2.gz NMMQENGCLPFULT-KRWDZBQOSA-N 2 2 314.477 3.377 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414368882 433577611 /nfs/dbraw/zinc/57/76/11/433577611.db2.gz SZEQMWBCOHBPCZ-QFBILLFUSA-N 2 2 324.472 3.039 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414368882 433577612 /nfs/dbraw/zinc/57/76/12/433577612.db2.gz SZEQMWBCOHBPCZ-QFBILLFUSA-N 2 2 324.472 3.039 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280360 433582642 /nfs/dbraw/zinc/58/26/42/433582642.db2.gz HKGABYIOPXAOPO-GUYCJALGSA-N 2 2 311.385 3.010 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280360 433582651 /nfs/dbraw/zinc/58/26/51/433582651.db2.gz HKGABYIOPXAOPO-GUYCJALGSA-N 2 2 311.385 3.010 20 0 DGADLP Cc1occc1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000414375152 433584212 /nfs/dbraw/zinc/58/42/12/433584212.db2.gz XWOVBFMRADTDCN-UHFFFAOYSA-N 2 2 314.433 3.132 20 0 DGADLP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000362310697 433635926 /nfs/dbraw/zinc/63/59/26/433635926.db2.gz VCJSSJPZADWORK-SJLPKXTDSA-N 2 2 321.534 3.271 20 0 DGADLP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000362310697 433635932 /nfs/dbraw/zinc/63/59/32/433635932.db2.gz VCJSSJPZADWORK-SJLPKXTDSA-N 2 2 321.534 3.271 20 0 DGADLP CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000293174837 433642758 /nfs/dbraw/zinc/64/27/58/433642758.db2.gz VOWJLUVRVDIGNC-IBGZPJMESA-N 2 2 313.445 3.103 20 0 DGADLP CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000293174837 433642771 /nfs/dbraw/zinc/64/27/71/433642771.db2.gz VOWJLUVRVDIGNC-IBGZPJMESA-N 2 2 313.445 3.103 20 0 DGADLP Cc1cccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000163003422 292862417 /nfs/dbraw/zinc/86/24/17/292862417.db2.gz YZWOUCAVUUEMJH-UHFFFAOYSA-N 2 2 316.368 3.131 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000356672732 433645077 /nfs/dbraw/zinc/64/50/77/433645077.db2.gz HWPZPBNZDHWWIY-WOJBJXKFSA-N 2 2 316.489 3.228 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000356672732 433645086 /nfs/dbraw/zinc/64/50/86/433645086.db2.gz HWPZPBNZDHWWIY-WOJBJXKFSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000342317343 433611446 /nfs/dbraw/zinc/61/14/46/433611446.db2.gz XQSKURZTLRLQSC-HMEHFPCLSA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000342317343 433611452 /nfs/dbraw/zinc/61/14/52/433611452.db2.gz XQSKURZTLRLQSC-HMEHFPCLSA-N 2 2 307.441 3.347 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414437271 433613085 /nfs/dbraw/zinc/61/30/85/433613085.db2.gz BNHZREIEEJLUEX-UHFFFAOYSA-N 2 2 318.440 3.093 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414437271 433613095 /nfs/dbraw/zinc/61/30/95/433613095.db2.gz BNHZREIEEJLUEX-UHFFFAOYSA-N 2 2 318.440 3.093 20 0 DGADLP Clc1c[nH+]ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301566041 433615737 /nfs/dbraw/zinc/61/57/37/433615737.db2.gz JPYYXAIHQHXHRG-OAHLLOKOSA-N 2 2 317.820 3.048 20 0 DGADLP Clc1c[nH+]ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301566041 433615750 /nfs/dbraw/zinc/61/57/50/433615750.db2.gz JPYYXAIHQHXHRG-OAHLLOKOSA-N 2 2 317.820 3.048 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)CCC2 ZINC000362335127 433652921 /nfs/dbraw/zinc/65/29/21/433652921.db2.gz KBDLYNCIGGVTPI-HOTGVXAUSA-N 2 2 312.461 3.486 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427107083 433654068 /nfs/dbraw/zinc/65/40/68/433654068.db2.gz INKJYQAWJUVSNC-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427107083 433654077 /nfs/dbraw/zinc/65/40/77/433654077.db2.gz INKJYQAWJUVSNC-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427122559 433654289 /nfs/dbraw/zinc/65/42/89/433654289.db2.gz CMXFQQRFQKVXOT-ICSRJNTNSA-N 2 2 322.452 3.449 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427122559 433654300 /nfs/dbraw/zinc/65/43/00/433654300.db2.gz CMXFQQRFQKVXOT-ICSRJNTNSA-N 2 2 322.452 3.449 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000449008268 433655273 /nfs/dbraw/zinc/65/52/73/433655273.db2.gz IJOUSMXISKZBAM-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427111976 433655589 /nfs/dbraw/zinc/65/55/89/433655589.db2.gz XVAVRUVHIAGVIZ-CRAIPNDOSA-N 2 2 300.446 3.192 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427111976 433655599 /nfs/dbraw/zinc/65/55/99/433655599.db2.gz XVAVRUVHIAGVIZ-CRAIPNDOSA-N 2 2 300.446 3.192 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)sc1Br ZINC000427140773 433659849 /nfs/dbraw/zinc/65/98/49/433659849.db2.gz UYYYFZLEWDHGFU-ZYHUDNBSSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)sc1Br ZINC000427140773 433659857 /nfs/dbraw/zinc/65/98/57/433659857.db2.gz UYYYFZLEWDHGFU-ZYHUDNBSSA-N 2 2 315.280 3.003 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)c1 ZINC000427138196 433660572 /nfs/dbraw/zinc/66/05/72/433660572.db2.gz VUGFLPBHMQZWAG-DGCLKSJQSA-N 2 2 305.472 3.055 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)c1 ZINC000427138196 433660582 /nfs/dbraw/zinc/66/05/82/433660582.db2.gz VUGFLPBHMQZWAG-DGCLKSJQSA-N 2 2 305.472 3.055 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)sc1Br ZINC000427140772 433660695 /nfs/dbraw/zinc/66/06/95/433660695.db2.gz UYYYFZLEWDHGFU-PWSUYJOCSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)sc1Br ZINC000427140772 433660704 /nfs/dbraw/zinc/66/07/04/433660704.db2.gz UYYYFZLEWDHGFU-PWSUYJOCSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)c2cccc(F)c2[nH+]1 ZINC000301667480 433666605 /nfs/dbraw/zinc/66/66/05/433666605.db2.gz MJAHGIKQYMJISA-ZDUSSCGKSA-N 2 2 317.408 3.063 20 0 DGADLP Cc1nc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301702119 433686322 /nfs/dbraw/zinc/68/63/22/433686322.db2.gz UAZCDJYDOGREKI-GOSISDBHSA-N 2 2 310.445 3.478 20 0 DGADLP Cc1nc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301702119 433686331 /nfs/dbraw/zinc/68/63/31/433686331.db2.gz UAZCDJYDOGREKI-GOSISDBHSA-N 2 2 310.445 3.478 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000362399984 433696669 /nfs/dbraw/zinc/69/66/69/433696669.db2.gz DGHQHPFJAIPMGJ-OAHLLOKOSA-N 2 2 306.475 3.127 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000362399984 433696677 /nfs/dbraw/zinc/69/66/77/433696677.db2.gz DGHQHPFJAIPMGJ-OAHLLOKOSA-N 2 2 306.475 3.127 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)c2ccccc21 ZINC000367297821 293049993 /nfs/dbraw/zinc/04/99/93/293049993.db2.gz ACVMXUFFIPANRO-IBGZPJMESA-N 2 2 323.440 3.410 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2ccccc2s1 ZINC000376215164 433693600 /nfs/dbraw/zinc/69/36/00/433693600.db2.gz DUEWXSJHEUZPRL-CWRNSKLLSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2ccccc2s1 ZINC000376215164 433693612 /nfs/dbraw/zinc/69/36/12/433693612.db2.gz DUEWXSJHEUZPRL-CWRNSKLLSA-N 2 2 316.470 3.415 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000367369985 293062703 /nfs/dbraw/zinc/06/27/03/293062703.db2.gz JPIVQNXTPMEHRE-FQEVSTJZSA-N 2 2 308.425 3.454 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000367369985 293062710 /nfs/dbraw/zinc/06/27/10/293062710.db2.gz JPIVQNXTPMEHRE-FQEVSTJZSA-N 2 2 308.425 3.454 20 0 DGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000367415846 293069834 /nfs/dbraw/zinc/06/98/34/293069834.db2.gz RATNTKINOPNGPD-UHFFFAOYSA-N 2 2 305.809 3.171 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3(c4ccccn4)CCC3)n2c1 ZINC000367599018 293088888 /nfs/dbraw/zinc/08/88/88/293088888.db2.gz UCVAZRALQAJFGC-UHFFFAOYSA-N 2 2 306.413 3.249 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000368365216 293119608 /nfs/dbraw/zinc/11/96/08/293119608.db2.gz ZEPCQWKNXBAUNE-OFLPRAFFSA-N 2 2 320.481 3.258 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000368365216 293119613 /nfs/dbraw/zinc/11/96/13/293119613.db2.gz ZEPCQWKNXBAUNE-OFLPRAFFSA-N 2 2 320.481 3.258 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCC(C)CC1 ZINC000368455822 293124791 /nfs/dbraw/zinc/12/47/91/293124791.db2.gz UGOPOBRJRGGIDP-FGTMMUONSA-N 2 2 318.509 3.156 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000369899875 293145510 /nfs/dbraw/zinc/14/55/10/293145510.db2.gz KPDLPHTZDQBBGI-HNNXBMFYSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000369899875 293145511 /nfs/dbraw/zinc/14/55/11/293145511.db2.gz KPDLPHTZDQBBGI-HNNXBMFYSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000369899876 293145644 /nfs/dbraw/zinc/14/56/44/293145644.db2.gz KPDLPHTZDQBBGI-OAHLLOKOSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000369899876 293145647 /nfs/dbraw/zinc/14/56/47/293145647.db2.gz KPDLPHTZDQBBGI-OAHLLOKOSA-N 2 2 302.447 3.231 20 0 DGADLP CC[N@H+](CCC1CCN(c2cc[nH+]c(C)n2)CC1)CC1CC1 ZINC000356800205 433703397 /nfs/dbraw/zinc/70/33/97/433703397.db2.gz ZJUDIOLDMMVSHU-UHFFFAOYSA-N 2 2 302.466 3.123 20 0 DGADLP CC[N@@H+](CCC1CCN(c2cc[nH+]c(C)n2)CC1)CC1CC1 ZINC000356800205 433703407 /nfs/dbraw/zinc/70/34/07/433703407.db2.gz ZJUDIOLDMMVSHU-UHFFFAOYSA-N 2 2 302.466 3.123 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000481725375 293151006 /nfs/dbraw/zinc/15/10/06/293151006.db2.gz DPKLPDBHGUZPSD-OALUTQOASA-N 2 2 304.478 3.393 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CC1 ZINC000125046836 293151055 /nfs/dbraw/zinc/15/10/55/293151055.db2.gz NTQNOGXIGTXEHG-OALUTQOASA-N 2 2 302.462 3.147 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449050265 433706773 /nfs/dbraw/zinc/70/67/73/433706773.db2.gz UCAZJLPQEWGDHA-QFBILLFUSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449050265 433706783 /nfs/dbraw/zinc/70/67/83/433706783.db2.gz UCAZJLPQEWGDHA-QFBILLFUSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449050265 433706788 /nfs/dbraw/zinc/70/67/88/433706788.db2.gz UCAZJLPQEWGDHA-QFBILLFUSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449046742 433707866 /nfs/dbraw/zinc/70/78/66/433707866.db2.gz LZAQDLZPXAJGNU-DYVFJYSZSA-N 2 2 303.381 3.114 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449046742 433707869 /nfs/dbraw/zinc/70/78/69/433707869.db2.gz LZAQDLZPXAJGNU-DYVFJYSZSA-N 2 2 303.381 3.114 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371667 293240109 /nfs/dbraw/zinc/24/01/09/293240109.db2.gz YCKUWOHXWKUNPQ-CRAIPNDOSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371667 293240113 /nfs/dbraw/zinc/24/01/13/293240113.db2.gz YCKUWOHXWKUNPQ-CRAIPNDOSA-N 2 2 312.461 3.124 20 0 DGADLP COc1cccc(C2(F)CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000374179046 293362824 /nfs/dbraw/zinc/36/28/24/293362824.db2.gz ZZBDOKLIYUKSCL-UHFFFAOYSA-N 2 2 317.408 3.243 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1Cl ZINC000374423842 293398714 /nfs/dbraw/zinc/39/87/14/293398714.db2.gz XXTVOCYXVVHFTD-DJIMGWMZSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1Cl ZINC000374423842 293398715 /nfs/dbraw/zinc/39/87/15/293398715.db2.gz XXTVOCYXVVHFTD-DJIMGWMZSA-N 2 2 308.853 3.024 20 0 DGADLP c1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n(C2CCCC2)n1 ZINC000449062171 433721961 /nfs/dbraw/zinc/72/19/61/433721961.db2.gz XPGIHERNNHLWGL-UHFFFAOYSA-N 2 2 321.428 3.474 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCOC1 ZINC000356829653 433718549 /nfs/dbraw/zinc/71/85/49/433718549.db2.gz AFFHNBCGRIOCED-UHOSZYNNSA-N 2 2 302.462 3.228 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@@H]4CCOC4)CC3)cc2)c[nH+]1 ZINC000376345572 433719597 /nfs/dbraw/zinc/71/95/97/433719597.db2.gz ATBDCNJBPONSPV-GOSISDBHSA-N 2 2 311.429 3.121 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356852271 433730038 /nfs/dbraw/zinc/73/00/38/433730038.db2.gz RHWPZFPLBHBQGJ-QFBILLFUSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356852271 433730045 /nfs/dbraw/zinc/73/00/45/433730045.db2.gz RHWPZFPLBHBQGJ-QFBILLFUSA-N 2 2 316.489 3.228 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000421847908 433771516 /nfs/dbraw/zinc/77/15/16/433771516.db2.gz ZDCRWMPOKZSXPU-MQIPJXDCSA-N 2 2 308.853 3.482 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ncc(Br)s1 ZINC000339683254 433730906 /nfs/dbraw/zinc/73/09/06/433730906.db2.gz XDVYNDYMSWVSNN-KXUCPTDWSA-N 2 2 318.284 3.039 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ncc(Br)s1 ZINC000339683254 433730914 /nfs/dbraw/zinc/73/09/14/433730914.db2.gz XDVYNDYMSWVSNN-KXUCPTDWSA-N 2 2 318.284 3.039 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000421847908 433771525 /nfs/dbraw/zinc/77/15/25/433771525.db2.gz ZDCRWMPOKZSXPU-MQIPJXDCSA-N 2 2 308.853 3.482 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801677 433735882 /nfs/dbraw/zinc/73/58/82/433735882.db2.gz LKUOTHPZRQETPN-VQTJNVASSA-N 2 2 321.468 3.193 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801677 433735894 /nfs/dbraw/zinc/73/58/94/433735894.db2.gz LKUOTHPZRQETPN-VQTJNVASSA-N 2 2 321.468 3.193 20 0 DGADLP CC[NH+](CC)CC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000342709086 433747640 /nfs/dbraw/zinc/74/76/40/433747640.db2.gz IWEVGOFWYGFPQI-UHFFFAOYSA-N 2 2 300.450 3.132 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2CCc3cccnc3CC2)[nH+]c1 ZINC000421823585 433747958 /nfs/dbraw/zinc/74/79/58/433747958.db2.gz DHYVTTLJWDUWET-KRWDZBQOSA-N 2 2 310.445 3.206 20 0 DGADLP CO[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000356884865 433749181 /nfs/dbraw/zinc/74/91/81/433749181.db2.gz WWNHSPIWEMZGNH-ZDUSSCGKSA-N 2 2 310.404 3.054 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414621024 433752088 /nfs/dbraw/zinc/75/20/88/433752088.db2.gz QPVFQKWPTGBWQP-ZDUSSCGKSA-N 2 2 313.405 3.016 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c[nH+]1 ZINC000449617051 433758665 /nfs/dbraw/zinc/75/86/65/433758665.db2.gz SYROCIIJUHFZNP-IEBWSBKVSA-N 2 2 311.429 3.228 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)c(F)c1 ZINC000421840912 433760419 /nfs/dbraw/zinc/76/04/19/433760419.db2.gz JFNQTGZVGHQNOO-ACJLOTCBSA-N 2 2 315.392 3.087 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@H+](C)Cc1ccccc1 ZINC000421837868 433763944 /nfs/dbraw/zinc/76/39/44/433763944.db2.gz UEZLPMKDZMIQCY-FXAWDEMLSA-N 2 2 323.484 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421837868 433763956 /nfs/dbraw/zinc/76/39/56/433763956.db2.gz UEZLPMKDZMIQCY-FXAWDEMLSA-N 2 2 323.484 3.439 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)c(F)c1 ZINC000421840631 433764441 /nfs/dbraw/zinc/76/44/41/433764441.db2.gz HFMCLPGNYNWKLA-GESALYCCSA-N 2 2 318.436 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)c(F)c1 ZINC000421840631 433764446 /nfs/dbraw/zinc/76/44/46/433764446.db2.gz HFMCLPGNYNWKLA-GESALYCCSA-N 2 2 318.436 3.358 20 0 DGADLP CC(C)c1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301864239 433764760 /nfs/dbraw/zinc/76/47/60/433764760.db2.gz MJOYNOQBVKAZTI-LSDHHAIUSA-N 2 2 320.481 3.245 20 0 DGADLP CC(C)c1nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889224 433772372 /nfs/dbraw/zinc/77/23/72/433772372.db2.gz RLCVNMOQJPRUHS-WMZOPIPTSA-N 2 2 324.472 3.923 20 0 DGADLP CC(C)c1nc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889224 433772379 /nfs/dbraw/zinc/77/23/79/433772379.db2.gz RLCVNMOQJPRUHS-WMZOPIPTSA-N 2 2 324.472 3.923 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000449086159 433725485 /nfs/dbraw/zinc/72/54/85/433725485.db2.gz BATXVONZFFTWEO-MBNYWOFBSA-N 2 2 310.363 3.308 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000449086159 433725494 /nfs/dbraw/zinc/72/54/94/433725494.db2.gz BATXVONZFFTWEO-MBNYWOFBSA-N 2 2 310.363 3.308 20 0 DGADLP Cc1nc(N2CCC[C@@H]2C[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC000302538613 433823676 /nfs/dbraw/zinc/82/36/76/433823676.db2.gz RZMWKTPXEXDECN-MRXNPFEDSA-N 2 2 314.477 3.119 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656829 433774941 /nfs/dbraw/zinc/77/49/41/433774941.db2.gz NOCSMJIKNBEATD-BQHGXPCASA-N 2 2 308.425 3.312 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656829 433774955 /nfs/dbraw/zinc/77/49/55/433774955.db2.gz NOCSMJIKNBEATD-BQHGXPCASA-N 2 2 308.425 3.312 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[NH2+]CC1 ZINC000414658688 433776086 /nfs/dbraw/zinc/77/60/86/433776086.db2.gz RAMPJYYDDJJFRT-UHFFFAOYSA-N 2 2 310.441 3.466 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[NH2+]CC1 ZINC000414658688 433776097 /nfs/dbraw/zinc/77/60/97/433776097.db2.gz RAMPJYYDDJJFRT-UHFFFAOYSA-N 2 2 310.441 3.466 20 0 DGADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000375266413 293504484 /nfs/dbraw/zinc/50/44/84/293504484.db2.gz FSMSPDZEPZUSFQ-HZPDHXFCSA-N 2 2 305.466 3.149 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849096 433824347 /nfs/dbraw/zinc/82/43/47/433824347.db2.gz HJSAAZZXAQDZJS-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849096 433824356 /nfs/dbraw/zinc/82/43/56/433824356.db2.gz HJSAAZZXAQDZJS-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849096 433824360 /nfs/dbraw/zinc/82/43/60/433824360.db2.gz HJSAAZZXAQDZJS-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849096 433824369 /nfs/dbraw/zinc/82/43/69/433824369.db2.gz HJSAAZZXAQDZJS-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+](C[C@@H]1CCSC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449788620 433801709 /nfs/dbraw/zinc/80/17/09/433801709.db2.gz YFPQCLNUMICHSU-LBPRGKRZSA-N 2 2 310.429 3.088 20 0 DGADLP C[N@@H+](C[C@@H]1CCSC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449788620 433801716 /nfs/dbraw/zinc/80/17/16/433801716.db2.gz YFPQCLNUMICHSU-LBPRGKRZSA-N 2 2 310.429 3.088 20 0 DGADLP COc1cc(C)[nH+]c(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000339819105 433802734 /nfs/dbraw/zinc/80/27/34/433802734.db2.gz DWHYDOCARVFQRM-SOLBZPMBSA-N 2 2 317.477 3.236 20 0 DGADLP COc1cc(C)[nH+]c(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000339819105 433802737 /nfs/dbraw/zinc/80/27/37/433802737.db2.gz DWHYDOCARVFQRM-SOLBZPMBSA-N 2 2 317.477 3.236 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000351935909 433803793 /nfs/dbraw/zinc/80/37/93/433803793.db2.gz JJVCXSSQCSQXDD-MRXNPFEDSA-N 2 2 316.449 3.084 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000351935909 433803803 /nfs/dbraw/zinc/80/38/03/433803803.db2.gz JJVCXSSQCSQXDD-MRXNPFEDSA-N 2 2 316.449 3.084 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1cccc(CO)c1 ZINC000376731279 433803980 /nfs/dbraw/zinc/80/39/80/433803980.db2.gz YEMJOTXQCCUCIB-FIKGOQFSSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccc(CO)c1 ZINC000376731279 433803988 /nfs/dbraw/zinc/80/39/88/433803988.db2.gz YEMJOTXQCCUCIB-FIKGOQFSSA-N 2 2 324.468 3.493 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339823351 433805359 /nfs/dbraw/zinc/80/53/59/433805359.db2.gz VKRRVXZPVQULLF-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339823351 433805367 /nfs/dbraw/zinc/80/53/67/433805367.db2.gz VKRRVXZPVQULLF-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@H]1C ZINC000351943040 433806158 /nfs/dbraw/zinc/80/61/58/433806158.db2.gz JTUYFLRVJUJASR-UKRRQHHQSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@H]1C ZINC000351943040 433806166 /nfs/dbraw/zinc/80/61/66/433806166.db2.gz JTUYFLRVJUJASR-UKRRQHHQSA-N 2 2 304.438 3.035 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000343441070 433807040 /nfs/dbraw/zinc/80/70/40/433807040.db2.gz IPFXYTGVBQZBCN-XWTMOSNGSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000343441070 433807044 /nfs/dbraw/zinc/80/70/44/433807044.db2.gz IPFXYTGVBQZBCN-XWTMOSNGSA-N 2 2 301.478 3.489 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414722053 433807018 /nfs/dbraw/zinc/80/70/18/433807018.db2.gz JXHORCLEKSIJDW-SJORKVTESA-N 3 2 321.534 3.066 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414722053 433807023 /nfs/dbraw/zinc/80/70/23/433807023.db2.gz JXHORCLEKSIJDW-SJORKVTESA-N 3 2 321.534 3.066 20 0 DGADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560693 433816323 /nfs/dbraw/zinc/81/63/23/433816323.db2.gz VODBPFZBXMRTRF-UGSOOPFHSA-N 2 2 322.880 3.104 20 0 DGADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560693 433816332 /nfs/dbraw/zinc/81/63/32/433816332.db2.gz VODBPFZBXMRTRF-UGSOOPFHSA-N 2 2 322.880 3.104 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000284004554 433816881 /nfs/dbraw/zinc/81/68/81/433816881.db2.gz PLWDOJJVWMSEKO-QFBILLFUSA-N 2 2 312.461 3.074 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000284004554 433816893 /nfs/dbraw/zinc/81/68/93/433816893.db2.gz PLWDOJJVWMSEKO-QFBILLFUSA-N 2 2 312.461 3.074 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000284004550 433817546 /nfs/dbraw/zinc/81/75/46/433817546.db2.gz PLWDOJJVWMSEKO-LPHOPBHVSA-N 2 2 312.461 3.074 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000284004550 433817555 /nfs/dbraw/zinc/81/75/55/433817555.db2.gz PLWDOJJVWMSEKO-LPHOPBHVSA-N 2 2 312.461 3.074 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000351959392 433818375 /nfs/dbraw/zinc/81/83/75/433818375.db2.gz RDOOAPXUNGTQLX-MRXNPFEDSA-N 2 2 310.507 3.129 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000414836654 433873551 /nfs/dbraw/zinc/87/35/51/433873551.db2.gz IRYSCVGJVADKSV-JTQLQIEISA-N 2 2 305.285 3.282 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414837968 433875293 /nfs/dbraw/zinc/87/52/93/433875293.db2.gz HRQVTBLWMBYCSF-UHFFFAOYSA-N 2 2 316.424 3.071 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000414772959 433826628 /nfs/dbraw/zinc/82/66/28/433826628.db2.gz VYDWIQSTJFFOFA-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000414772959 433826639 /nfs/dbraw/zinc/82/66/39/433826639.db2.gz VYDWIQSTJFFOFA-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000351979566 433831039 /nfs/dbraw/zinc/83/10/39/433831039.db2.gz RZIHKVZMUSTGRD-BAILOTOSSA-N 2 2 302.462 3.310 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000351979566 433831055 /nfs/dbraw/zinc/83/10/55/433831055.db2.gz RZIHKVZMUSTGRD-BAILOTOSSA-N 2 2 302.462 3.310 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000414787454 433836508 /nfs/dbraw/zinc/83/65/08/433836508.db2.gz LVTWPSYXLWKYCP-UHFFFAOYSA-N 2 2 311.429 3.070 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000414787454 433836513 /nfs/dbraw/zinc/83/65/13/433836513.db2.gz LVTWPSYXLWKYCP-UHFFFAOYSA-N 2 2 311.429 3.070 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000414787328 433836882 /nfs/dbraw/zinc/83/68/82/433836882.db2.gz LPINCAIWNSQFKJ-UHFFFAOYSA-N 2 2 304.768 3.255 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000414787328 433836887 /nfs/dbraw/zinc/83/68/87/433836887.db2.gz LPINCAIWNSQFKJ-UHFFFAOYSA-N 2 2 304.768 3.255 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C12CCCC2 ZINC000344115369 433847322 /nfs/dbraw/zinc/84/73/22/433847322.db2.gz XDYCRVPEPGUCGY-GVDBMIGSSA-N 2 2 317.477 3.396 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)ccc1F ZINC000414804668 433847465 /nfs/dbraw/zinc/84/74/65/433847465.db2.gz NWCPZNXACNFBNM-UHFFFAOYSA-N 2 2 303.219 3.195 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414813929 433851923 /nfs/dbraw/zinc/85/19/23/433851923.db2.gz NBZNPDQRCHRMNS-NSHDSACASA-N 2 2 303.219 3.195 20 0 DGADLP Cc1cccc2[nH+]cc(CNCC[NH2+]C3CCCCCC3)n21 ZINC000414816502 433858980 /nfs/dbraw/zinc/85/89/80/433858980.db2.gz XHEMZNXWVVWQGC-UHFFFAOYSA-N 2 2 300.450 3.045 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000414820407 433859193 /nfs/dbraw/zinc/85/91/93/433859193.db2.gz AUKKKIZORJMLCS-GOSISDBHSA-N 2 2 300.450 3.377 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1c(F)cccc1Br ZINC000414815130 433859393 /nfs/dbraw/zinc/85/93/93/433859393.db2.gz WVZDJCTZBUPIFC-UHFFFAOYSA-N 2 2 303.219 3.195 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284246911 433867433 /nfs/dbraw/zinc/86/74/33/433867433.db2.gz WANSWXVSMZLRLK-HIFRSBDPSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284246911 433867440 /nfs/dbraw/zinc/86/74/40/433867440.db2.gz WANSWXVSMZLRLK-HIFRSBDPSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000414831517 433868507 /nfs/dbraw/zinc/86/85/07/433868507.db2.gz CIKPGTPZNBGZEO-LSTHTHJFSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC000344676243 433878441 /nfs/dbraw/zinc/87/84/41/433878441.db2.gz KQMURSHPNOZGOF-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC000344676243 433878452 /nfs/dbraw/zinc/87/84/52/433878452.db2.gz KQMURSHPNOZGOF-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414836674 433872263 /nfs/dbraw/zinc/87/22/63/433872263.db2.gz ITJYRTTUJYTKQT-AWEZNQCLSA-N 2 2 307.438 3.412 20 0 DGADLP Clc1sc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Br ZINC000414867060 433896596 /nfs/dbraw/zinc/89/65/96/433896596.db2.gz NXRDGIFGARFRJB-SSDOTTSWSA-N 2 2 309.660 3.006 20 0 DGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1nccn1-c1ccccc1 ZINC000377396962 293655118 /nfs/dbraw/zinc/65/51/18/293655118.db2.gz HQIZCFPUKOFPDN-HNNXBMFYSA-N 2 2 317.396 3.371 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2Br)CCC1 ZINC000414876716 433901560 /nfs/dbraw/zinc/90/15/60/433901560.db2.gz DUSUXJRNVFHZRP-UHFFFAOYSA-N 2 2 303.631 3.074 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccsc2)cc1F ZINC000414951991 433935257 /nfs/dbraw/zinc/93/52/57/433935257.db2.gz QHUQQEPZRNWQAY-BBRMVZONSA-N 2 2 308.397 3.262 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3ccc(F)cc3[nH]1)CCC2 ZINC000362932313 433916555 /nfs/dbraw/zinc/91/65/55/433916555.db2.gz WCQFCENFQXDDIA-CQSZACIVSA-N 2 2 312.392 3.479 20 0 DGADLP COc1ccc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1 ZINC000436254720 433917484 /nfs/dbraw/zinc/91/74/84/433917484.db2.gz USJUKOHATPPWBM-OAHLLOKOSA-N 2 2 313.445 3.309 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@H]1C[NH3+] ZINC000422559470 433919196 /nfs/dbraw/zinc/91/91/96/433919196.db2.gz DDDAIYGMTQEZPU-FRRDWIJNSA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@H]1C[NH3+] ZINC000422559470 433919206 /nfs/dbraw/zinc/91/92/06/433919206.db2.gz DDDAIYGMTQEZPU-FRRDWIJNSA-N 2 2 320.868 3.032 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414955889 433935753 /nfs/dbraw/zinc/93/57/53/433935753.db2.gz UWLGLQCMGJIZIN-WMLDXEAASA-N 3 2 321.896 3.035 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414930421 433921964 /nfs/dbraw/zinc/92/19/64/433921964.db2.gz OWAXKXHGGYXLBT-MRXNPFEDSA-N 2 2 320.440 3.285 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1SC ZINC000414936760 433924246 /nfs/dbraw/zinc/92/42/46/433924246.db2.gz WVAKGENVBSQFHD-INIZCTEOSA-N 2 2 308.491 3.285 20 0 DGADLP CC1([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC[NH2+]CC1 ZINC000414941632 433925942 /nfs/dbraw/zinc/92/59/42/433925942.db2.gz LTNWSZSYYXJPFC-UHFFFAOYSA-N 2 2 305.422 3.181 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295270 433930619 /nfs/dbraw/zinc/93/06/19/433930619.db2.gz GKLXVXPXSBGWKG-UFJXABKHSA-N 2 2 306.400 3.283 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295270 433930628 /nfs/dbraw/zinc/93/06/28/433930628.db2.gz GKLXVXPXSBGWKG-UFJXABKHSA-N 2 2 306.400 3.283 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414950952 433934252 /nfs/dbraw/zinc/93/42/52/433934252.db2.gz PGHKBXFVDJDDAO-CRAIPNDOSA-N 2 2 320.358 3.339 20 0 DGADLP CCc1nc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(C)[nH+]1 ZINC000339978817 433880505 /nfs/dbraw/zinc/88/05/05/433880505.db2.gz UTPMXIPHOBTTCH-KRWDZBQOSA-N 2 2 310.445 3.596 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414854514 433889148 /nfs/dbraw/zinc/88/91/48/433889148.db2.gz VCEWMZBJIWPSJG-LBPRGKRZSA-N 2 2 322.346 3.230 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362863774 433889414 /nfs/dbraw/zinc/88/94/14/433889414.db2.gz LVFJAFLWYYDDOB-INIZCTEOSA-N 2 2 320.481 3.018 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414862004 433892678 /nfs/dbraw/zinc/89/26/78/433892678.db2.gz XCSYKIIRCADVRQ-ZFWWWQNUSA-N 2 2 301.459 3.288 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293844707 433892638 /nfs/dbraw/zinc/89/26/38/433892638.db2.gz CGMZXBNNUZFVIT-PBWTXFEYSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293844707 433892646 /nfs/dbraw/zinc/89/26/46/433892646.db2.gz CGMZXBNNUZFVIT-PBWTXFEYSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000422705439 433941577 /nfs/dbraw/zinc/94/15/77/433941577.db2.gz CAJPVLCEHCUBJS-VHDGCEQUSA-N 2 2 316.367 3.037 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422727561 433955947 /nfs/dbraw/zinc/95/59/47/433955947.db2.gz CZCAJKVXWHMSSJ-OCCSQVGLSA-N 2 2 316.367 3.248 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414984611 433957330 /nfs/dbraw/zinc/95/73/30/433957330.db2.gz VGEACTFKPWWEIA-NSHDSACASA-N 2 2 301.415 3.383 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1OC1CCCC1 ZINC000422727576 433957670 /nfs/dbraw/zinc/95/76/70/433957670.db2.gz HMFCSXTVHIKDGD-WMLDXEAASA-N 2 2 318.461 3.104 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422736835 433958979 /nfs/dbraw/zinc/95/89/79/433958979.db2.gz HAAPJGOMUHUWKC-ZFWWWQNUSA-N 2 2 317.502 3.489 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccncc1F ZINC000340173809 433959008 /nfs/dbraw/zinc/95/90/08/433959008.db2.gz LHFPLVAEELIORP-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340173338 433959519 /nfs/dbraw/zinc/95/95/19/433959519.db2.gz GDZOTIBGWIQSGQ-HZPDHXFCSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340173338 433959522 /nfs/dbraw/zinc/95/95/22/433959522.db2.gz GDZOTIBGWIQSGQ-HZPDHXFCSA-N 2 2 301.459 3.377 20 0 DGADLP C[NH2+][C@H](C)C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414990847 433963073 /nfs/dbraw/zinc/96/30/73/433963073.db2.gz RYOOMYMXCWNPPJ-MRVPVSSYSA-N 2 2 314.273 3.422 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422740715 433964903 /nfs/dbraw/zinc/96/49/03/433964903.db2.gz CIUHWLKZNYVUCF-HZPDHXFCSA-N 3 2 324.472 3.370 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000340183241 433965505 /nfs/dbraw/zinc/96/55/05/433965505.db2.gz YLLKMYFOXPYMIF-IEBWSBKVSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000340183241 433965517 /nfs/dbraw/zinc/96/55/17/433965517.db2.gz YLLKMYFOXPYMIF-IEBWSBKVSA-N 2 2 320.440 3.259 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340191423 433974653 /nfs/dbraw/zinc/97/46/53/433974653.db2.gz PONMRPAHXBONSD-MOPGFXCFSA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340191423 433974662 /nfs/dbraw/zinc/97/46/62/433974662.db2.gz PONMRPAHXBONSD-MOPGFXCFSA-N 3 2 312.461 3.007 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422760577 433975529 /nfs/dbraw/zinc/97/55/29/433975529.db2.gz QICCLNGGILJMKS-XLIONFOSSA-N 2 2 324.468 3.175 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCOC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422754119 433978332 /nfs/dbraw/zinc/97/83/32/433978332.db2.gz DSYQDJCCVONOHR-RTBURBONSA-N 2 2 318.461 3.037 20 0 DGADLP C[C@@H](NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753768 433978536 /nfs/dbraw/zinc/97/85/36/433978536.db2.gz GJJHRGPCPOIECN-XOKHGSTOSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753768 433978542 /nfs/dbraw/zinc/97/85/42/433978542.db2.gz GJJHRGPCPOIECN-XOKHGSTOSA-N 2 2 309.885 3.063 20 0 DGADLP CC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCC[NH2+]1 ZINC000422758481 433979249 /nfs/dbraw/zinc/97/92/49/433979249.db2.gz DXRMRABXDFYKRG-MOPGFXCFSA-N 2 2 312.461 3.109 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422766662 433981294 /nfs/dbraw/zinc/98/12/94/433981294.db2.gz MDEMWFMGMIGHNH-HNAYVOBHSA-N 2 2 312.461 3.109 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422763375 433981968 /nfs/dbraw/zinc/98/19/68/433981968.db2.gz OXQMNMPHGDYVDB-XJKSGUPXSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C)[nH+]1 ZINC000436494826 433986044 /nfs/dbraw/zinc/98/60/44/433986044.db2.gz OFHGCEPFOZPGBK-AWEZNQCLSA-N 2 2 316.405 3.024 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000415721090 433988721 /nfs/dbraw/zinc/98/87/21/433988721.db2.gz JHFCRDWGZBFCAX-INIZCTEOSA-N 2 2 312.417 3.082 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[NH2+]1 ZINC000414951004 433936503 /nfs/dbraw/zinc/93/65/03/433936503.db2.gz PKFHLESWKFIENN-JOYOIKCWSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414953681 433937237 /nfs/dbraw/zinc/93/72/37/433937237.db2.gz LZOSBQPNVPGVFC-YJBOKZPZSA-N 2 2 320.440 3.256 20 0 DGADLP C[C@@H]1C[N@H+](CCCC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377642889 433937575 /nfs/dbraw/zinc/93/75/75/433937575.db2.gz CMWXANYRVVYOLB-QUCCMNQESA-N 2 2 321.553 3.305 20 0 DGADLP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377642889 433937580 /nfs/dbraw/zinc/93/75/80/433937580.db2.gz CMWXANYRVVYOLB-QUCCMNQESA-N 2 2 321.553 3.305 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000377633419 433938923 /nfs/dbraw/zinc/93/89/23/433938923.db2.gz XYBNJTAXLHJRPG-YIONKMFJSA-N 2 2 322.522 3.046 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000377633419 433938933 /nfs/dbraw/zinc/93/89/33/433938933.db2.gz XYBNJTAXLHJRPG-YIONKMFJSA-N 2 2 322.522 3.046 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000377633419 433938943 /nfs/dbraw/zinc/93/89/43/433938943.db2.gz XYBNJTAXLHJRPG-YIONKMFJSA-N 2 2 322.522 3.046 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000377633419 433938954 /nfs/dbraw/zinc/93/89/54/433938954.db2.gz XYBNJTAXLHJRPG-YIONKMFJSA-N 2 2 322.522 3.046 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000414962682 433940467 /nfs/dbraw/zinc/94/04/67/433940467.db2.gz ZWGLHKLSAIIIOY-BXKDBHETSA-N 2 2 317.658 3.333 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000377825507 434010593 /nfs/dbraw/zinc/01/05/93/434010593.db2.gz CIFGZMQUWUJUOM-GFCCVEGCSA-N 2 2 304.463 3.164 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000377825507 434010601 /nfs/dbraw/zinc/01/06/01/434010601.db2.gz CIFGZMQUWUJUOM-GFCCVEGCSA-N 2 2 304.463 3.164 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1OC(F)F)CCC2 ZINC000377831265 434010627 /nfs/dbraw/zinc/01/06/27/434010627.db2.gz LIZWJNHLIPGYBR-CQSZACIVSA-N 2 2 321.371 3.460 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1OC(F)F ZINC000422798847 434011612 /nfs/dbraw/zinc/01/16/12/434011612.db2.gz TVHTWAOAOQCGBG-CJNGLKHVSA-N 2 2 320.383 3.336 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1c[nH+]ccc1N ZINC000422801136 434016563 /nfs/dbraw/zinc/01/65/63/434016563.db2.gz DRDHCEGWFSTGCY-ZDUSSCGKSA-N 2 2 324.428 3.084 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(OC2CCCC2)c1 ZINC000422825524 434028723 /nfs/dbraw/zinc/02/87/23/434028723.db2.gz PWVUUPTUNGHXRL-KDOFPFPSSA-N 2 2 318.461 3.104 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000422825405 434029271 /nfs/dbraw/zinc/02/92/71/434029271.db2.gz AEOYGAXMZXUIMY-PMACEKPBSA-N 3 2 318.424 3.166 20 0 DGADLP Fc1cccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000422827219 434031325 /nfs/dbraw/zinc/03/13/25/434031325.db2.gz MTPONNIAUIFMRB-ZWKOTPCHSA-N 2 2 302.368 3.200 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000422826686 434032193 /nfs/dbraw/zinc/03/21/93/434032193.db2.gz LTAXUSATADOCGH-AABGKKOBSA-N 2 2 315.505 3.382 20 0 DGADLP CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831077 434033432 /nfs/dbraw/zinc/03/34/32/434033432.db2.gz WFJKYRLWTYDWKF-NEWSRXKRSA-N 3 2 303.494 3.017 20 0 DGADLP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831077 434033440 /nfs/dbraw/zinc/03/34/40/434033440.db2.gz WFJKYRLWTYDWKF-NEWSRXKRSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833376 434036070 /nfs/dbraw/zinc/03/60/70/434036070.db2.gz GPWMQGHDDJOIRK-KMFMINBZSA-N 2 2 307.869 3.039 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000422833846 434037640 /nfs/dbraw/zinc/03/76/40/434037640.db2.gz WRLJMPRBULYJNR-RTBURBONSA-N 3 2 301.478 3.032 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422843833 434047158 /nfs/dbraw/zinc/04/71/58/434047158.db2.gz JTJTYLNTEQSDEJ-VBQJREDUSA-N 2 2 309.885 3.192 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000422836622 434041551 /nfs/dbraw/zinc/04/15/51/434041551.db2.gz KOFXDMZOWLYCDJ-JYBIWHBTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836622 434041556 /nfs/dbraw/zinc/04/15/56/434041556.db2.gz KOFXDMZOWLYCDJ-JYBIWHBTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422843834 434047184 /nfs/dbraw/zinc/04/71/84/434047184.db2.gz JTJTYLNTEQSDEJ-ZQIUZPCESA-N 2 2 309.885 3.192 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422776600 433995191 /nfs/dbraw/zinc/99/51/91/433995191.db2.gz DCYBKFLHEXLKOW-PXNSSMCTSA-N 3 2 315.505 3.293 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000422869669 434067946 /nfs/dbraw/zinc/06/79/46/434067946.db2.gz WQIZMIAKUJBNMT-MGPQQGTHSA-N 2 2 308.495 3.062 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874471 434069976 /nfs/dbraw/zinc/06/99/76/434069976.db2.gz DASOZPGIIAUGDR-ABSDTBQOSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874471 434069984 /nfs/dbraw/zinc/06/99/84/434069984.db2.gz DASOZPGIIAUGDR-ABSDTBQOSA-N 3 2 315.505 3.291 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422879656 434074960 /nfs/dbraw/zinc/07/49/60/434074960.db2.gz VVWDDGWVXXSTLV-HACGYAERSA-N 2 2 312.404 3.019 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(OCC2CC2)c(F)c1 ZINC000422878603 434076285 /nfs/dbraw/zinc/07/62/85/434076285.db2.gz TXZJONOSIJSKLH-PBFPGSCMSA-N 2 2 306.425 3.406 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OCC2CC2)c(F)c1 ZINC000422878596 434078520 /nfs/dbraw/zinc/07/85/20/434078520.db2.gz TXZJONOSIJSKLH-DCGLDWPTSA-N 2 2 306.425 3.406 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000340356587 434084883 /nfs/dbraw/zinc/08/48/83/434084883.db2.gz QBTNQLSMWKIZDF-MSOLQXFVSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000340356587 434084894 /nfs/dbraw/zinc/08/48/94/434084894.db2.gz QBTNQLSMWKIZDF-MSOLQXFVSA-N 2 2 302.462 3.054 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000378132013 434090966 /nfs/dbraw/zinc/09/09/66/434090966.db2.gz VWBZBRGXLSILFC-UHFFFAOYSA-N 2 2 305.422 3.133 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340310057 434049163 /nfs/dbraw/zinc/04/91/63/434049163.db2.gz JCICQIZVRGNICV-IEBWSBKVSA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340310057 434049175 /nfs/dbraw/zinc/04/91/75/434049175.db2.gz JCICQIZVRGNICV-IEBWSBKVSA-N 2 2 324.472 3.073 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C[C@@H]1c1ccccc1 ZINC000340305333 434051128 /nfs/dbraw/zinc/05/11/28/434051128.db2.gz HGHDRXCTOUQOMA-RCCFBDPRSA-N 2 2 310.445 3.212 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C[C@@H]1c1ccccc1 ZINC000340305333 434051134 /nfs/dbraw/zinc/05/11/34/434051134.db2.gz HGHDRXCTOUQOMA-RCCFBDPRSA-N 2 2 310.445 3.212 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000305170973 434052872 /nfs/dbraw/zinc/05/28/72/434052872.db2.gz ZRSXDINSMVBJET-XHDPSFHLSA-N 2 2 317.260 3.101 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000340392722 434104119 /nfs/dbraw/zinc/10/41/19/434104119.db2.gz DQCAOFATJBHGMI-IAGOWNOFSA-N 2 2 313.445 3.471 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000340392722 434104130 /nfs/dbraw/zinc/10/41/30/434104130.db2.gz DQCAOFATJBHGMI-IAGOWNOFSA-N 2 2 313.445 3.471 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000346081896 434105888 /nfs/dbraw/zinc/10/58/88/434105888.db2.gz PRCORRHMAWPPLC-QGZVFWFLSA-N 2 2 323.440 3.105 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000346081896 434105896 /nfs/dbraw/zinc/10/58/96/434105896.db2.gz PRCORRHMAWPPLC-QGZVFWFLSA-N 2 2 323.440 3.105 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000459503809 293979376 /nfs/dbraw/zinc/97/93/76/293979376.db2.gz GBJIVPLUAKWSPX-UHFFFAOYSA-N 2 2 319.399 3.196 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)s1)C2 ZINC000310099688 434108586 /nfs/dbraw/zinc/10/85/86/434108586.db2.gz AZQJHLOPQGKJPJ-GWCFXTLKSA-N 2 2 315.280 3.071 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Br)s1)C2 ZINC000310099688 434108593 /nfs/dbraw/zinc/10/85/93/434108593.db2.gz AZQJHLOPQGKJPJ-GWCFXTLKSA-N 2 2 315.280 3.071 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)[nH+]c1C ZINC000378211283 434110751 /nfs/dbraw/zinc/11/07/51/434110751.db2.gz PRGZXFQWRDEJEP-CABCVRRESA-N 2 2 312.417 3.150 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)[nH+]c1C ZINC000378211285 434110870 /nfs/dbraw/zinc/11/08/70/434110870.db2.gz PRGZXFQWRDEJEP-HUUCEWRRSA-N 2 2 312.417 3.150 20 0 DGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340409988 434113996 /nfs/dbraw/zinc/11/39/96/434113996.db2.gz XJASGJIYEXAQBS-QZTJIDSGSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340409988 434114009 /nfs/dbraw/zinc/11/40/09/434114009.db2.gz XJASGJIYEXAQBS-QZTJIDSGSA-N 2 2 311.429 3.015 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000422937976 434120733 /nfs/dbraw/zinc/12/07/33/434120733.db2.gz KHINGJZRWBEIAW-QWRGUYRKSA-N 2 2 303.269 3.131 20 0 DGADLP Clc1cnccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309922702 434101343 /nfs/dbraw/zinc/10/13/43/434101343.db2.gz WKOPQGMRGDMASF-INIZCTEOSA-N 2 2 315.848 3.347 20 0 DGADLP Clc1cnccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309922702 434101354 /nfs/dbraw/zinc/10/13/54/434101354.db2.gz WKOPQGMRGDMASF-INIZCTEOSA-N 2 2 315.848 3.347 20 0 DGADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422910596 434101790 /nfs/dbraw/zinc/10/17/90/434101790.db2.gz IRILWHLLLUVTMH-CMPLNLGQSA-N 2 2 305.422 3.270 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000500473925 294114186 /nfs/dbraw/zinc/11/41/86/294114186.db2.gz FCVYPOZWCDNPHT-RKTXRCNFSA-N 2 2 324.415 3.399 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000500473925 294114187 /nfs/dbraw/zinc/11/41/87/294114187.db2.gz FCVYPOZWCDNPHT-RKTXRCNFSA-N 2 2 324.415 3.399 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359329 434127658 /nfs/dbraw/zinc/12/76/58/434127658.db2.gz GCLDEJJUMQWLQU-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359329 434127668 /nfs/dbraw/zinc/12/76/68/434127668.db2.gz GCLDEJJUMQWLQU-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP CC[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CCO1 ZINC000506340974 294269744 /nfs/dbraw/zinc/26/97/44/294269744.db2.gz OTJJWZWEVFZWFP-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CCO1 ZINC000506340974 294269748 /nfs/dbraw/zinc/26/97/48/294269748.db2.gz OTJJWZWEVFZWFP-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000506340974 294269751 /nfs/dbraw/zinc/26/97/51/294269751.db2.gz OTJJWZWEVFZWFP-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000506340974 294269754 /nfs/dbraw/zinc/26/97/54/294269754.db2.gz OTJJWZWEVFZWFP-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000507218014 294288956 /nfs/dbraw/zinc/28/89/56/294288956.db2.gz YVGHTURWYVFLDA-UHFFFAOYSA-N 2 2 312.404 3.224 20 0 DGADLP C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000507395508 294296697 /nfs/dbraw/zinc/29/66/97/294296697.db2.gz AHYKTNGDPSCFKK-RBUKOAKNSA-N 2 2 315.505 3.367 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)CCCO1 ZINC000313383993 434131936 /nfs/dbraw/zinc/13/19/36/434131936.db2.gz JXBDSANDVYUGSF-NSHDSACASA-N 2 2 310.850 3.104 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2sc3ccccc3c2Cl)CCCO1 ZINC000313383993 434131948 /nfs/dbraw/zinc/13/19/48/434131948.db2.gz JXBDSANDVYUGSF-NSHDSACASA-N 2 2 310.850 3.104 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)Cc1ccccc1 ZINC000507508828 294302371 /nfs/dbraw/zinc/30/23/71/294302371.db2.gz KLTJGLAHJPKUSP-SXLOBPIMSA-N 2 2 318.505 3.344 20 0 DGADLP CC[C@]1(C)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509366692 294348727 /nfs/dbraw/zinc/34/87/27/294348727.db2.gz PMZIIVRORPJQFQ-HXUWFJFHSA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@]1(C)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509366692 294348728 /nfs/dbraw/zinc/34/87/28/294348728.db2.gz PMZIIVRORPJQFQ-HXUWFJFHSA-N 2 2 315.505 3.321 20 0 DGADLP C[C@H]1CCC[C@H](C)[NH+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509645621 294359356 /nfs/dbraw/zinc/35/93/56/294359356.db2.gz ZYVDRPZBVCTUOW-OALUTQOASA-N 2 2 315.505 3.462 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000509667516 294360921 /nfs/dbraw/zinc/36/09/21/294360921.db2.gz RVYBNCCHPDRLAF-APWZRJJASA-N 2 2 312.457 3.086 20 0 DGADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509680960 294361727 /nfs/dbraw/zinc/36/17/27/294361727.db2.gz CJQXYGYLPHGLJG-RBUKOAKNSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1[C@@H](C)CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509680960 294361728 /nfs/dbraw/zinc/36/17/28/294361728.db2.gz CJQXYGYLPHGLJG-RBUKOAKNSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000510650509 294388682 /nfs/dbraw/zinc/38/86/82/294388682.db2.gz JXMCZWMJZYLMNY-VEVIJQCQSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000510650509 294388688 /nfs/dbraw/zinc/38/86/88/294388688.db2.gz JXMCZWMJZYLMNY-VEVIJQCQSA-N 2 2 308.416 3.358 20 0 DGADLP CC[C@H]([NH2+]Cc1sccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422947182 434134056 /nfs/dbraw/zinc/13/40/56/434134056.db2.gz PYPICPZVNQCYHT-QWRGUYRKSA-N 2 2 303.269 3.131 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447658 434136546 /nfs/dbraw/zinc/13/65/46/434136546.db2.gz XLFCUXMNOWAQHA-CRAIPNDOSA-N 2 2 311.429 3.102 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447658 434136551 /nfs/dbraw/zinc/13/65/51/434136551.db2.gz XLFCUXMNOWAQHA-CRAIPNDOSA-N 2 2 311.429 3.102 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCC2)c(C)c1OC ZINC000353444415 434139201 /nfs/dbraw/zinc/13/92/01/434139201.db2.gz UKSIXAYXCPYNQO-OAHLLOKOSA-N 2 2 320.477 3.019 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@H]1CCCC[NH2+]1 ZINC000422965098 434142683 /nfs/dbraw/zinc/14/26/83/434142683.db2.gz NRGHAVFTMVTGCS-RTBURBONSA-N 2 2 312.461 3.097 20 0 DGADLP c1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)CC[NH2+]2)cc1 ZINC000422970037 434145419 /nfs/dbraw/zinc/14/54/19/434145419.db2.gz FATXSXSMXDCOEP-UYAOXDASSA-N 3 2 313.489 3.086 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342293 434145699 /nfs/dbraw/zinc/14/56/99/434145699.db2.gz NYOCJNCSCYNKSA-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342293 434145704 /nfs/dbraw/zinc/14/57/04/434145704.db2.gz NYOCJNCSCYNKSA-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP c1c[nH]c([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CCCCC2)n1 ZINC000353455661 434147086 /nfs/dbraw/zinc/14/70/86/434147086.db2.gz RHPHSDSCNWDJHR-QGZVFWFLSA-N 2 2 304.482 3.497 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422975999 434149130 /nfs/dbraw/zinc/14/91/30/434149130.db2.gz COWGDBNEHDEGFR-CQSZACIVSA-N 2 2 311.433 3.017 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340474416 434152764 /nfs/dbraw/zinc/15/27/64/434152764.db2.gz ISKHRPWJEWTGBB-QXAKKESOSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340474416 434152769 /nfs/dbraw/zinc/15/27/69/434152769.db2.gz ISKHRPWJEWTGBB-QXAKKESOSA-N 2 2 302.462 3.198 20 0 DGADLP C(=C\c1ccccc1)\CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450409905 434157130 /nfs/dbraw/zinc/15/71/30/434157130.db2.gz UZETVTNTPDYAEE-BUSNORKWSA-N 2 2 314.473 3.134 20 0 DGADLP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450409905 434157140 /nfs/dbraw/zinc/15/71/40/434157140.db2.gz UZETVTNTPDYAEE-BUSNORKWSA-N 2 2 314.473 3.134 20 0 DGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422998120 434157206 /nfs/dbraw/zinc/15/72/06/434157206.db2.gz CCQNPEGUELCSRE-HKBOAZHASA-N 2 2 324.468 3.365 20 0 DGADLP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000340496051 434160930 /nfs/dbraw/zinc/16/09/30/434160930.db2.gz DWMKIIPPPSEMNY-MAUKXSAKSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000340496051 434160936 /nfs/dbraw/zinc/16/09/36/434160936.db2.gz DWMKIIPPPSEMNY-MAUKXSAKSA-N 2 2 300.446 3.376 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423005794 434163778 /nfs/dbraw/zinc/16/37/78/434163778.db2.gz SUMZIRUUVFWPNX-NSHDSACASA-N 2 2 305.809 3.397 20 0 DGADLP C[C@@H](CCO)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000295070795 434176989 /nfs/dbraw/zinc/17/69/89/434176989.db2.gz HHNPTWFLZYJYCG-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP C[N@H+](CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CCCC1 ZINC000353502041 434179863 /nfs/dbraw/zinc/17/98/63/434179863.db2.gz KCXCDKNUXOKDRA-KRWDZBQOSA-N 2 2 304.482 3.495 20 0 DGADLP C[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CCCC1 ZINC000353502041 434179870 /nfs/dbraw/zinc/17/98/70/434179870.db2.gz KCXCDKNUXOKDRA-KRWDZBQOSA-N 2 2 304.482 3.495 20 0 DGADLP c1cn2c(cccc2C[NH+]2CCC3(CC2)OCc2ccccc23)[nH+]1 ZINC000378437147 434179912 /nfs/dbraw/zinc/17/99/12/434179912.db2.gz FOURDROINDRYCP-UHFFFAOYSA-N 2 2 319.408 3.356 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100346 434220451 /nfs/dbraw/zinc/22/04/51/434220451.db2.gz GTCHVLWJBVUSND-KGLIPLIRSA-N 2 2 307.850 3.433 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423042207 434184008 /nfs/dbraw/zinc/18/40/08/434184008.db2.gz KNRCSRXHSVMAHQ-IDENBPMYSA-N 3 2 313.489 3.374 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042207 434184019 /nfs/dbraw/zinc/18/40/19/434184019.db2.gz KNRCSRXHSVMAHQ-IDENBPMYSA-N 3 2 313.489 3.374 20 0 DGADLP CC(C)(C[NH2+][C@@H](c1ccccc1)c1cncnc1)C[NH+]1CCCC1 ZINC000357861273 434220654 /nfs/dbraw/zinc/22/06/54/434220654.db2.gz XZQOXFOPWGDOEU-IBGZPJMESA-N 2 2 324.472 3.278 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000353551859 434220508 /nfs/dbraw/zinc/22/05/08/434220508.db2.gz LPGIRYAFZHVRTP-IRXDYDNUSA-N 2 2 318.461 3.001 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000316449432 434189946 /nfs/dbraw/zinc/18/99/46/434189946.db2.gz GBUUCOMBIKZXNO-OKYOBFRVSA-N 3 2 309.542 3.253 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(F)c1F ZINC000378460661 434192951 /nfs/dbraw/zinc/19/29/51/434192951.db2.gz WVVMTLCWAXSSNG-GFCCVEGCSA-N 2 2 305.372 3.391 20 0 DGADLP COCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C)o1 ZINC000423049901 434193686 /nfs/dbraw/zinc/19/36/86/434193686.db2.gz YIWHNCJHEWHTGM-YESZJQIVSA-N 2 2 300.402 3.400 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000316879281 434194011 /nfs/dbraw/zinc/19/40/11/434194011.db2.gz QYNGATRCACQPNW-DZGCQCFKSA-N 2 2 324.852 3.061 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000316879281 434194021 /nfs/dbraw/zinc/19/40/21/434194021.db2.gz QYNGATRCACQPNW-DZGCQCFKSA-N 2 2 324.852 3.061 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C2CCC([NH+](C)C)CC2)n1-c1ccccc1 ZINC000353524750 434198844 /nfs/dbraw/zinc/19/88/44/434198844.db2.gz WUECFTBGWUCJIQ-UHFFFAOYSA-N 3 2 312.461 3.143 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000450458937 434199501 /nfs/dbraw/zinc/19/95/01/434199501.db2.gz ZHNGQBPRIWFZLE-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000450458937 434199508 /nfs/dbraw/zinc/19/95/08/434199508.db2.gz ZHNGQBPRIWFZLE-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000450458937 434199518 /nfs/dbraw/zinc/19/95/18/434199518.db2.gz ZHNGQBPRIWFZLE-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000450458937 434199523 /nfs/dbraw/zinc/19/95/23/434199523.db2.gz ZHNGQBPRIWFZLE-GOSISDBHSA-N 2 2 300.446 3.053 20 0 DGADLP CC(C)Oc1ccc2[nH+]ccc(N3CCn4c[nH+]cc4C3)c2c1 ZINC000450530958 434244928 /nfs/dbraw/zinc/24/49/28/434244928.db2.gz GGFOEBVWHJANKB-UHFFFAOYSA-N 2 2 308.385 3.239 20 0 DGADLP CC[C@@H](NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000423144158 434245026 /nfs/dbraw/zinc/24/50/26/434245026.db2.gz GEFCYMSIEAQXOK-CVEARBPZSA-N 2 2 318.852 3.146 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)CCC(C)C ZINC000515054191 294535529 /nfs/dbraw/zinc/53/55/29/294535529.db2.gz AKWVXXLSQFYFNF-MRXNPFEDSA-N 2 2 303.450 3.122 20 0 DGADLP CC[C@@H](COCC(F)(F)F)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000295179847 434245520 /nfs/dbraw/zinc/24/55/20/434245520.db2.gz VOTASUQTCUOZBJ-LBPRGKRZSA-N 2 2 315.339 3.090 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)OC ZINC000423150156 434246815 /nfs/dbraw/zinc/24/68/15/434246815.db2.gz BDBKKVGGOFNKSC-QZHFEQFPSA-N 2 2 320.477 3.139 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000378876837 434252126 /nfs/dbraw/zinc/25/21/26/434252126.db2.gz BEEQOCIYRZAVKI-UKBAYJJMSA-N 2 2 302.462 3.369 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423152819 434253775 /nfs/dbraw/zinc/25/37/75/434253775.db2.gz MNCCVEVKLKVZDX-MOPGFXCFSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]C/C=C/c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423158017 434255122 /nfs/dbraw/zinc/25/51/22/434255122.db2.gz NOFGNEWOXAMEJE-GRYLXXLRSA-N 2 2 309.251 3.192 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000353599664 434260064 /nfs/dbraw/zinc/26/00/64/434260064.db2.gz XFHSDQOCEQZEDH-KFKAGJAMSA-N 2 2 314.473 3.010 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2c3ccccc3CC23CCOCC3)C1 ZINC000353599664 434260073 /nfs/dbraw/zinc/26/00/73/434260073.db2.gz XFHSDQOCEQZEDH-KFKAGJAMSA-N 2 2 314.473 3.010 20 0 DGADLP CC(C)c1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000346950403 434262363 /nfs/dbraw/zinc/26/23/63/434262363.db2.gz YOCIODNGEKPBOC-UHFFFAOYSA-N 2 2 324.472 3.924 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423167184 434263797 /nfs/dbraw/zinc/26/37/97/434263797.db2.gz DRUPVWQIDIRGJT-WDEREUQCSA-N 2 2 303.631 3.072 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000357960225 434267880 /nfs/dbraw/zinc/26/78/80/434267880.db2.gz CXYNPLIMHONQKA-CQSZACIVSA-N 2 2 322.861 3.228 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000357960225 434267887 /nfs/dbraw/zinc/26/78/87/434267887.db2.gz CXYNPLIMHONQKA-CQSZACIVSA-N 2 2 322.861 3.228 20 0 DGADLP Cc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423176564 434268596 /nfs/dbraw/zinc/26/85/96/434268596.db2.gz GLAQTNLPFFGSDY-PBWFPOADSA-N 2 2 309.251 3.130 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000423178813 434268895 /nfs/dbraw/zinc/26/88/95/434268895.db2.gz GSKMRUZFAZTYAT-LLVKDONJSA-N 2 2 305.422 3.352 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000423185467 434269956 /nfs/dbraw/zinc/26/99/56/434269956.db2.gz JMRFJNNCERWRLD-ZBFHGGJFSA-N 2 2 306.450 3.277 20 0 DGADLP O=C(CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000450572681 434273499 /nfs/dbraw/zinc/27/34/99/434273499.db2.gz VBBDJONIWXXELA-OAHLLOKOSA-N 2 2 315.392 3.391 20 0 DGADLP O=C(CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000450572681 434273510 /nfs/dbraw/zinc/27/35/10/434273510.db2.gz VBBDJONIWXXELA-OAHLLOKOSA-N 2 2 315.392 3.391 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423192905 434274650 /nfs/dbraw/zinc/27/46/50/434274650.db2.gz QEQSZSHETSNXKS-AZUAARDMSA-N 2 2 310.441 3.321 20 0 DGADLP Clc1ccccc1C1CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353555971 434226793 /nfs/dbraw/zinc/22/67/93/434226793.db2.gz QBUIBSZXUAPQKM-CPCZMJQVSA-N 2 2 301.821 3.456 20 0 DGADLP Clc1ccccc1C1CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353555971 434226801 /nfs/dbraw/zinc/22/68/01/434226801.db2.gz QBUIBSZXUAPQKM-CPCZMJQVSA-N 2 2 301.821 3.456 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792384 434227033 /nfs/dbraw/zinc/22/70/33/434227033.db2.gz ZTWZJNLXFNLPKX-CEXWTWQISA-N 3 2 321.553 3.494 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792384 434227042 /nfs/dbraw/zinc/22/70/42/434227042.db2.gz ZTWZJNLXFNLPKX-CEXWTWQISA-N 3 2 321.553 3.494 20 0 DGADLP O=C(CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000450500815 434229531 /nfs/dbraw/zinc/22/95/31/434229531.db2.gz OJNBXPPQFMTJOV-GOSISDBHSA-N 2 2 310.397 3.198 20 0 DGADLP O=C(CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000450500815 434229541 /nfs/dbraw/zinc/22/95/41/434229541.db2.gz OJNBXPPQFMTJOV-GOSISDBHSA-N 2 2 310.397 3.198 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]CCC1CCOCC1)c1ccccc1 ZINC000319822310 434229590 /nfs/dbraw/zinc/22/95/90/434229590.db2.gz SAWQHZNRZNDUSN-LJQANCHMSA-N 2 2 304.478 3.476 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc(N2CCCC2)n1 ZINC000423119508 434229791 /nfs/dbraw/zinc/22/97/91/434229791.db2.gz CRICNEFEAVHGJS-RBUKOAKNSA-N 2 2 322.456 3.225 20 0 DGADLP CCCC1(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000516175050 294594557 /nfs/dbraw/zinc/59/45/57/294594557.db2.gz BFYYXTDCKBSOEX-MRXNPFEDSA-N 2 2 315.461 3.184 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H]2CCc3sc(Cl)cc32)CC1 ZINC000353571021 434238974 /nfs/dbraw/zinc/23/89/74/434238974.db2.gz OKFDAKBELYOVCL-ZDUSSCGKSA-N 2 2 314.882 3.089 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423197362 434280537 /nfs/dbraw/zinc/28/05/37/434280537.db2.gz ZCLDVJSNCSPSQX-OCCSQVGLSA-N 2 2 302.340 3.378 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385995 434281965 /nfs/dbraw/zinc/28/19/65/434281965.db2.gz WQGMMMWMLJLMDP-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385995 434281977 /nfs/dbraw/zinc/28/19/77/434281977.db2.gz WQGMMMWMLJLMDP-SWLSCSKDSA-N 2 2 311.267 3.064 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCC[NH2+]C2)cc1OCC ZINC000423197269 434282210 /nfs/dbraw/zinc/28/22/10/434282210.db2.gz YRRZIBXFWFRFIA-CVEARBPZSA-N 2 2 306.450 3.277 20 0 DGADLP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000423206773 434285478 /nfs/dbraw/zinc/28/54/78/434285478.db2.gz CXIVGKUZAMJOTQ-GJZGRUSLSA-N 2 2 311.267 3.488 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000358015568 434288535 /nfs/dbraw/zinc/28/85/35/434288535.db2.gz LMBPBFONVFAEQB-MRXNPFEDSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000358015568 434288546 /nfs/dbraw/zinc/28/85/46/434288546.db2.gz LMBPBFONVFAEQB-MRXNPFEDSA-N 2 2 316.489 3.228 20 0 DGADLP Cc1ccc(CCC[N@H+](CC(=O)OC(C)(C)C)C(C)C)c[nH+]1 ZINC000353630873 434289911 /nfs/dbraw/zinc/28/99/11/434289911.db2.gz YXXQHILMYJSHGY-UHFFFAOYSA-N 2 2 306.450 3.375 20 0 DGADLP Cc1ccc(CCC[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c[nH+]1 ZINC000353630873 434289916 /nfs/dbraw/zinc/28/99/16/434289916.db2.gz YXXQHILMYJSHGY-UHFFFAOYSA-N 2 2 306.450 3.375 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000348387618 434294686 /nfs/dbraw/zinc/29/46/86/434294686.db2.gz ZFQWPRVGKCBKPP-HCXYKTFWSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000348387618 434294694 /nfs/dbraw/zinc/29/46/94/434294694.db2.gz ZFQWPRVGKCBKPP-HCXYKTFWSA-N 2 2 316.489 3.036 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000516774196 294630510 /nfs/dbraw/zinc/63/05/10/294630510.db2.gz IMCXFJSXSNUXNM-HNNXBMFYSA-N 2 2 314.433 3.315 20 0 DGADLP Cc1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)cc1 ZINC000423228533 434296642 /nfs/dbraw/zinc/29/66/42/434296642.db2.gz CYISJYSEPACVAM-HXUWFJFHSA-N 2 2 322.456 3.363 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[NH2+]2)cc1OCC ZINC000423230901 434299246 /nfs/dbraw/zinc/29/92/46/434299246.db2.gz FPJFPWWVRDVODS-HZPDHXFCSA-N 2 2 306.450 3.277 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@H](C)c1ccccc1 ZINC000423228816 434299266 /nfs/dbraw/zinc/29/92/66/434299266.db2.gz FGIGPSLCQAPQGJ-JKSUJKDBSA-N 2 2 310.445 3.095 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423275197 434334629 /nfs/dbraw/zinc/33/46/29/434334629.db2.gz MVLQJTKUZLBRNC-AUUYWEPGSA-N 2 2 309.413 3.362 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c[nH+]1 ZINC000353651968 434302584 /nfs/dbraw/zinc/30/25/84/434302584.db2.gz QIPKDXHKBDJKDX-OAQYLSRUSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c[nH+]1 ZINC000353651968 434302591 /nfs/dbraw/zinc/30/25/91/434302591.db2.gz QIPKDXHKBDJKDX-OAQYLSRUSA-N 2 2 322.452 3.497 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238564 434302800 /nfs/dbraw/zinc/30/28/00/434302800.db2.gz RBIFVCCPZABDSE-AZUAARDMSA-N 2 2 310.441 3.321 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238565 434303718 /nfs/dbraw/zinc/30/37/18/434303718.db2.gz RBIFVCCPZABDSE-ICSRJNTNSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000423238774 434303926 /nfs/dbraw/zinc/30/39/26/434303926.db2.gz JITGHCYCCZIKMV-PBHICJAKSA-N 2 2 312.413 3.199 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccccc1 ZINC000423237280 434305705 /nfs/dbraw/zinc/30/57/05/434305705.db2.gz IAXXJZTWRCIYGR-IAGOWNOFSA-N 2 2 300.377 3.329 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423240625 434305745 /nfs/dbraw/zinc/30/57/45/434305745.db2.gz CMEMUEHLNMBEJW-HZPDHXFCSA-N 2 2 300.377 3.111 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCOC2(C)C)CCC1 ZINC000386806222 434311231 /nfs/dbraw/zinc/31/12/31/434311231.db2.gz CRRUBLGZZXEVKI-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCOC2(C)C)CCC1 ZINC000386806222 434311236 /nfs/dbraw/zinc/31/12/36/434311236.db2.gz CRRUBLGZZXEVKI-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C(=O)OC)cc1 ZINC000423252830 434312715 /nfs/dbraw/zinc/31/27/15/434312715.db2.gz UVGHJUMNMFYPDJ-QZTJIDSGSA-N 2 2 312.413 3.214 20 0 DGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423254339 434313434 /nfs/dbraw/zinc/31/34/34/434313434.db2.gz ZYXYFEGMZNLNGE-QAPCUYQASA-N 2 2 319.493 3.046 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423251253 434313938 /nfs/dbraw/zinc/31/39/38/434313938.db2.gz VMHWPBPHKHXXAJ-CYBMUJFWSA-N 2 2 303.475 3.302 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423252711 434316320 /nfs/dbraw/zinc/31/63/20/434316320.db2.gz UJSXEXLXMVAXCM-DLBZAZTESA-N 2 2 304.821 3.317 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312708 434321654 /nfs/dbraw/zinc/32/16/54/434321654.db2.gz BOSNCIXYLFNNCL-MOPGFXCFSA-N 3 2 315.505 3.148 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000387312708 434321658 /nfs/dbraw/zinc/32/16/58/434321658.db2.gz BOSNCIXYLFNNCL-MOPGFXCFSA-N 3 2 315.505 3.148 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000388065734 434324414 /nfs/dbraw/zinc/32/44/14/434324414.db2.gz QTVCTJSMUIQWPM-HCXYKTFWSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423274022 434329130 /nfs/dbraw/zinc/32/91/30/434329130.db2.gz LJVRTDXXQSKOIJ-UWVGGRQHSA-N 2 2 303.269 3.071 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cnn1-c1cccc(Cl)c1 ZINC000423278929 434332379 /nfs/dbraw/zinc/33/23/79/434332379.db2.gz RLIAAKINAANCGI-SJKOYZFVSA-N 2 2 320.868 3.468 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423190377 434278129 /nfs/dbraw/zinc/27/81/29/434278129.db2.gz NUKMESFPFSFIOD-UYAOXDASSA-N 2 2 310.441 3.321 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390548429 434362303 /nfs/dbraw/zinc/36/23/03/434362303.db2.gz AGNWIVMNNSWMFN-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390548429 434362313 /nfs/dbraw/zinc/36/23/13/434362313.db2.gz AGNWIVMNNSWMFN-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP c1cn(CCCC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c[nH+]1 ZINC000340798384 434363324 /nfs/dbraw/zinc/36/33/24/434363324.db2.gz MYROGMHSGCMAAA-UHFFFAOYSA-N 2 2 309.417 3.456 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417352608 434363448 /nfs/dbraw/zinc/36/34/48/434363448.db2.gz GNYVVLCRDPYKJR-GFCCVEGCSA-N 2 2 300.368 3.320 20 0 DGADLP CCC(CC)[C@H](CNC(=O)Nc1c(C)cc[nH+]c1C)[NH+](C)C ZINC000287464453 434364858 /nfs/dbraw/zinc/36/48/58/434364858.db2.gz JBHIDEOOJJASEL-HNNXBMFYSA-N 2 2 306.454 3.186 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390672796 434366749 /nfs/dbraw/zinc/36/67/49/434366749.db2.gz SNHARZNEVMPFBK-QRVBRYPASA-N 3 2 315.505 3.147 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390672796 434366757 /nfs/dbraw/zinc/36/67/57/434366757.db2.gz SNHARZNEVMPFBK-QRVBRYPASA-N 3 2 315.505 3.147 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000423341503 434368395 /nfs/dbraw/zinc/36/83/95/434368395.db2.gz XYGBPWKMDCUJJX-KRTXAFLBSA-N 2 2 303.631 3.027 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1csc(-c2ccccc2F)n1 ZINC000423340508 434372593 /nfs/dbraw/zinc/37/25/93/434372593.db2.gz XGIDSIWQOHBUJO-NSHDSACASA-N 2 2 305.422 3.481 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000423346662 434376297 /nfs/dbraw/zinc/37/62/97/434376297.db2.gz ZDRGPZLLRLZHMO-QGZVFWFLSA-N 2 2 318.486 3.166 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@@H+]1C ZINC000287513040 434380393 /nfs/dbraw/zinc/38/03/93/434380393.db2.gz ZEUAFVRQTQKUEL-DOTOQJQBSA-N 2 2 319.493 3.469 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@H+]1C ZINC000287513040 434380400 /nfs/dbraw/zinc/38/04/00/434380400.db2.gz ZEUAFVRQTQKUEL-DOTOQJQBSA-N 2 2 319.493 3.469 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000358214371 434386719 /nfs/dbraw/zinc/38/67/19/434386719.db2.gz CDGOUIXYDAISQG-QFHJOOASSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000358214371 434386730 /nfs/dbraw/zinc/38/67/30/434386730.db2.gz CDGOUIXYDAISQG-QFHJOOASSA-N 2 2 302.462 3.084 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000423283194 434338753 /nfs/dbraw/zinc/33/87/53/434338753.db2.gz DWBJGCNMFDCNQP-QGZVFWFLSA-N 2 2 301.409 3.417 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423280754 434338999 /nfs/dbraw/zinc/33/89/99/434338999.db2.gz AACVHPHSWYUELT-REPLKXPHSA-N 3 2 315.505 3.289 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423280754 434339005 /nfs/dbraw/zinc/33/90/05/434339005.db2.gz AACVHPHSWYUELT-REPLKXPHSA-N 3 2 315.505 3.289 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@H]2CCC[C@@H]21 ZINC000353692651 434343817 /nfs/dbraw/zinc/34/38/17/434343817.db2.gz WDXYZRUCSHOVMY-QYZOEREBSA-N 2 2 322.456 3.106 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@H]2CCC[C@@H]21 ZINC000353692651 434343827 /nfs/dbraw/zinc/34/38/27/434343827.db2.gz WDXYZRUCSHOVMY-QYZOEREBSA-N 2 2 322.456 3.106 20 0 DGADLP CCC([NH3+])(CC)CN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000423293172 434344114 /nfs/dbraw/zinc/34/41/14/434344114.db2.gz QCLBIJBNRRUFHN-HNNXBMFYSA-N 2 2 320.868 3.270 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000358144069 434348973 /nfs/dbraw/zinc/34/89/73/434348973.db2.gz VLUHYXNZGPSICI-KRWDZBQOSA-N 2 2 309.344 3.235 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000423296995 434351648 /nfs/dbraw/zinc/35/16/48/434351648.db2.gz IHTUINUBLBNCMN-UAFMIMERSA-N 3 2 315.505 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000423296995 434351657 /nfs/dbraw/zinc/35/16/57/434351657.db2.gz IHTUINUBLBNCMN-UAFMIMERSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000389804999 434351850 /nfs/dbraw/zinc/35/18/50/434351850.db2.gz ABTIVUXPXZZWKZ-NSISKUIASA-N 2 2 322.452 3.100 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000389804999 434351857 /nfs/dbraw/zinc/35/18/57/434351857.db2.gz ABTIVUXPXZZWKZ-NSISKUIASA-N 2 2 322.452 3.100 20 0 DGADLP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423312784 434354049 /nfs/dbraw/zinc/35/40/49/434354049.db2.gz VSOGYNDMORSUOZ-NHYWBVRUSA-N 2 2 323.234 3.316 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000423323456 434358843 /nfs/dbraw/zinc/35/88/43/434358843.db2.gz HLDJCWAIZUSHLD-WBAXXEDZSA-N 2 2 314.429 3.393 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000390582531 434359158 /nfs/dbraw/zinc/35/91/58/434359158.db2.gz JMVHQXBXDAVJRS-NVXWUHKLSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390582531 434359165 /nfs/dbraw/zinc/35/91/65/434359165.db2.gz JMVHQXBXDAVJRS-NVXWUHKLSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000393660679 434400751 /nfs/dbraw/zinc/40/07/51/434400751.db2.gz XQPORTWWLCUFKF-NVXWUHKLSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000393660679 434400758 /nfs/dbraw/zinc/40/07/58/434400758.db2.gz XQPORTWWLCUFKF-NVXWUHKLSA-N 2 2 304.478 3.036 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423395420 434402190 /nfs/dbraw/zinc/40/21/90/434402190.db2.gz SODBJNVLVOFLDX-HOCLYGCPSA-N 2 2 306.425 3.189 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423394290 434402306 /nfs/dbraw/zinc/40/23/06/434402306.db2.gz RYMANCHVYKOFAI-CRAIPNDOSA-N 3 2 312.461 3.301 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423405666 434404607 /nfs/dbraw/zinc/40/46/07/434404607.db2.gz YGENVFDMQPTNRV-IIDMSEBBSA-N 2 2 317.383 3.309 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423404653 434404949 /nfs/dbraw/zinc/40/49/49/434404949.db2.gz ZZANOUWRPWQEBJ-MAUKXSAKSA-N 2 2 318.461 3.059 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(F)cccc2Br)C[C@@H]1C[NH3+] ZINC000394819886 434406264 /nfs/dbraw/zinc/40/62/64/434406264.db2.gz XDDSYXVIUOOFCW-QWRGUYRKSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2Br)C[C@@H]1C[NH3+] ZINC000394819886 434406272 /nfs/dbraw/zinc/40/62/72/434406272.db2.gz XDDSYXVIUOOFCW-QWRGUYRKSA-N 2 2 315.230 3.005 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CCC[NH2+]1 ZINC000423409293 434411275 /nfs/dbraw/zinc/41/12/75/434411275.db2.gz BPJZXMLURFXIHL-AEFFLSMTSA-N 2 2 320.502 3.199 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000450790630 434411810 /nfs/dbraw/zinc/41/18/10/434411810.db2.gz ZBGPVXANIJTNBD-SFHVURJKSA-N 2 2 323.440 3.412 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000450790630 434411822 /nfs/dbraw/zinc/41/18/22/434411822.db2.gz ZBGPVXANIJTNBD-SFHVURJKSA-N 2 2 323.440 3.412 20 0 DGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423421076 434415562 /nfs/dbraw/zinc/41/55/62/434415562.db2.gz XPBAYGWCAPNNGA-AUUYWEPGSA-N 2 2 316.445 3.414 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CCC[NH2+]1 ZINC000423417713 434416412 /nfs/dbraw/zinc/41/64/12/434416412.db2.gz SSRLTXDOWONAAG-MSOLQXFVSA-N 2 2 306.450 3.178 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CCC[NH2+]1 ZINC000423416684 434416517 /nfs/dbraw/zinc/41/65/17/434416517.db2.gz FYARCFGQWSDNSC-QFBILLFUSA-N 2 2 320.477 3.141 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000423418795 434416560 /nfs/dbraw/zinc/41/65/60/434416560.db2.gz IEVARMOEUKGFMR-IAQYHMDHSA-N 2 2 317.260 3.413 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000423424975 434418783 /nfs/dbraw/zinc/41/87/83/434418783.db2.gz MALIPSMAMXDYHR-XHDPSFHLSA-N 2 2 317.260 3.413 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121555 434420974 /nfs/dbraw/zinc/42/09/74/434420974.db2.gz YQPHEAXRKBYUHN-FZKQIMNGSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121555 434420987 /nfs/dbraw/zinc/42/09/87/434420987.db2.gz YQPHEAXRKBYUHN-FZKQIMNGSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121555 434420999 /nfs/dbraw/zinc/42/09/99/434420999.db2.gz YQPHEAXRKBYUHN-FZKQIMNGSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121555 434421003 /nfs/dbraw/zinc/42/10/03/434421003.db2.gz YQPHEAXRKBYUHN-FZKQIMNGSA-N 2 2 301.409 3.223 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000423424970 434421566 /nfs/dbraw/zinc/42/15/66/434421566.db2.gz MALIPSMAMXDYHR-ABAIWWIYSA-N 2 2 317.260 3.413 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000423430152 434421596 /nfs/dbraw/zinc/42/15/96/434421596.db2.gz PNWUPDNPIBNSAA-DYVFJYSZSA-N 2 2 311.385 3.201 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+]C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000348692118 434448423 /nfs/dbraw/zinc/44/84/23/434448423.db2.gz DJBFZIRBCDYACM-FQEVSTJZSA-N 2 2 317.521 3.172 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000287665229 434424597 /nfs/dbraw/zinc/42/45/97/434424597.db2.gz HIQNPJLCFFMKMC-INIZCTEOSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOC1CCC1 ZINC000287665229 434424605 /nfs/dbraw/zinc/42/46/05/434424605.db2.gz HIQNPJLCFFMKMC-INIZCTEOSA-N 2 2 313.445 3.378 20 0 DGADLP COc1ccc2nc(C[NH2+]CCC[N@H+](C)C(C)C)sc2c1 ZINC000353783342 434428505 /nfs/dbraw/zinc/42/85/05/434428505.db2.gz WSKGUMVIUYBFDR-UHFFFAOYSA-N 2 2 307.463 3.125 20 0 DGADLP COc1ccc2nc(C[NH2+]CCC[N@@H+](C)C(C)C)sc2c1 ZINC000353783342 434428512 /nfs/dbraw/zinc/42/85/12/434428512.db2.gz WSKGUMVIUYBFDR-UHFFFAOYSA-N 2 2 307.463 3.125 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]CCCCCOc2ccccc2)CCSC1 ZINC000438183780 434429022 /nfs/dbraw/zinc/42/90/22/434429022.db2.gz ZTLGSGLTZSJRGS-GOSISDBHSA-N 2 2 322.518 3.263 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397298447 434432418 /nfs/dbraw/zinc/43/24/18/434432418.db2.gz CMDMBKWUSWQARK-IYOUNJFTSA-N 2 2 318.461 3.093 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397298447 434432427 /nfs/dbraw/zinc/43/24/27/434432427.db2.gz CMDMBKWUSWQARK-IYOUNJFTSA-N 2 2 318.461 3.093 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438194184 434433797 /nfs/dbraw/zinc/43/37/97/434433797.db2.gz YUCRACLBXYESIH-OALUTQOASA-N 2 2 304.478 3.055 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438194184 434433800 /nfs/dbraw/zinc/43/38/00/434433800.db2.gz YUCRACLBXYESIH-OALUTQOASA-N 2 2 304.478 3.055 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423497851 434460890 /nfs/dbraw/zinc/46/08/90/434460890.db2.gz HMOLXIQODCAYOY-ROUUACIJSA-N 2 2 302.462 3.188 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cc2c(ccc3ccccc23)o1 ZINC000423511151 434466812 /nfs/dbraw/zinc/46/68/12/434466812.db2.gz JWLCQKINDXEOAW-ZBFHGGJFSA-N 2 2 323.440 3.140 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000423518488 434469867 /nfs/dbraw/zinc/46/98/67/434469867.db2.gz ZHROEXHBUIZDEF-FZKQIMNGSA-N 2 2 314.477 3.433 20 0 DGADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423515619 434470099 /nfs/dbraw/zinc/47/00/99/434470099.db2.gz FUYIBVUSIUVNHH-SCZZXKLOSA-N 2 2 321.273 3.010 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423517438 434470253 /nfs/dbraw/zinc/47/02/53/434470253.db2.gz YTKCCNBSQJEVLR-XHDPSFHLSA-N 2 2 310.413 3.011 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@@H](C)C1 ZINC000359996214 434470773 /nfs/dbraw/zinc/47/07/73/434470773.db2.gz VUIZYUVBNMIWQI-GXTWGEPZSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@@H](C)C1 ZINC000359996214 434470780 /nfs/dbraw/zinc/47/07/80/434470780.db2.gz VUIZYUVBNMIWQI-GXTWGEPZSA-N 2 2 320.868 3.047 20 0 DGADLP Cc1n[nH]c(C)c1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296005797 434473282 /nfs/dbraw/zinc/47/32/82/434473282.db2.gz LGVSCJXLMSEQAM-UHFFFAOYSA-N 2 2 315.808 3.155 20 0 DGADLP CC[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000423531291 434474543 /nfs/dbraw/zinc/47/45/43/434474543.db2.gz SGZYUUSQZWOEDX-LJQANCHMSA-N 3 2 315.505 3.148 20 0 DGADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423528111 434476911 /nfs/dbraw/zinc/47/69/11/434476911.db2.gz MZMVCHHRCXHZMD-VBNZEHGJSA-N 2 2 315.486 3.420 20 0 DGADLP CCc1nc(NCc2[nH+]ccn2CCc2ccccc2)cc(C)[nH+]1 ZINC000287891058 434477491 /nfs/dbraw/zinc/47/74/91/434477491.db2.gz ONRTVDWJUKAFNP-UHFFFAOYSA-N 2 2 321.428 3.399 20 0 DGADLP Cc1c[nH+]c(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1C ZINC000341006056 434483092 /nfs/dbraw/zinc/48/30/92/434483092.db2.gz GQKQZWPBKUMQLR-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400368907 434485911 /nfs/dbraw/zinc/48/59/11/434485911.db2.gz SWBXCQUCTSZCKZ-UHOSZYNNSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400368907 434485922 /nfs/dbraw/zinc/48/59/22/434485922.db2.gz SWBXCQUCTSZCKZ-UHOSZYNNSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423546409 434486607 /nfs/dbraw/zinc/48/66/07/434486607.db2.gz DEMWUZLKHQLSGC-ZFWWWQNUSA-N 2 2 310.397 3.225 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000360045348 434491435 /nfs/dbraw/zinc/49/14/35/434491435.db2.gz KIOZIFARNIGLSH-HYVNUMGLSA-N 2 2 309.523 3.061 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000400765735 434491421 /nfs/dbraw/zinc/49/14/21/434491421.db2.gz ZEZASIIPOROVGZ-OXQOHEQNSA-N 2 2 310.441 3.496 20 0 DGADLP Clc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CC2)cc1Cl ZINC000423560197 434491536 /nfs/dbraw/zinc/49/15/36/434491536.db2.gz JOZAOTAVNSJIJI-DOMZBBRYSA-N 2 2 315.244 3.023 20 0 DGADLP Clc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423579722 434495261 /nfs/dbraw/zinc/49/52/61/434495261.db2.gz WQAYYJNUVORBBX-ZWKOTPCHSA-N 2 2 316.832 3.007 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000423487867 434449516 /nfs/dbraw/zinc/44/95/16/434449516.db2.gz XZBMNEICXOKWQC-OXJNMPFZSA-N 2 2 309.457 3.330 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000423487867 434449525 /nfs/dbraw/zinc/44/95/25/434449525.db2.gz XZBMNEICXOKWQC-OXJNMPFZSA-N 2 2 309.457 3.330 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000348699453 434452775 /nfs/dbraw/zinc/45/27/75/434452775.db2.gz OJFURDWJQOSNHG-UHFFFAOYSA-N 2 2 318.305 3.334 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000398137461 434454541 /nfs/dbraw/zinc/45/45/41/434454541.db2.gz LJSVTYGQZWCJBR-XYJFISCASA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000398137461 434454551 /nfs/dbraw/zinc/45/45/51/434454551.db2.gz LJSVTYGQZWCJBR-XYJFISCASA-N 2 2 310.445 3.038 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423495014 434456353 /nfs/dbraw/zinc/45/63/53/434456353.db2.gz BGTSHDJWMAJNQJ-SOAMZJECSA-N 2 2 316.489 3.434 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348817510 434508035 /nfs/dbraw/zinc/50/80/35/434508035.db2.gz OXWMNTDVXZBKIO-QGZVFWFLSA-N 2 2 322.493 3.486 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348817510 434508044 /nfs/dbraw/zinc/50/80/44/434508044.db2.gz OXWMNTDVXZBKIO-QGZVFWFLSA-N 2 2 322.493 3.486 20 0 DGADLP C[C@H](CC1CCOCC1)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000348817510 434508052 /nfs/dbraw/zinc/50/80/52/434508052.db2.gz OXWMNTDVXZBKIO-QGZVFWFLSA-N 2 2 322.493 3.486 20 0 DGADLP C[C@H](CC1CCOCC1)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000348817510 434508057 /nfs/dbraw/zinc/50/80/57/434508057.db2.gz OXWMNTDVXZBKIO-QGZVFWFLSA-N 2 2 322.493 3.486 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404366434 434509794 /nfs/dbraw/zinc/50/97/94/434509794.db2.gz PRNRTAOXQCZTPN-XJKSGUPXSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404366434 434509802 /nfs/dbraw/zinc/50/98/02/434509802.db2.gz PRNRTAOXQCZTPN-XJKSGUPXSA-N 2 2 323.868 3.036 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404322323 434511782 /nfs/dbraw/zinc/51/17/82/434511782.db2.gz RPWYKITXSGMWKX-KDOFPFPSSA-N 2 2 318.461 3.237 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404322323 434511791 /nfs/dbraw/zinc/51/17/91/434511791.db2.gz RPWYKITXSGMWKX-KDOFPFPSSA-N 2 2 318.461 3.237 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473911 434516536 /nfs/dbraw/zinc/51/65/36/434516536.db2.gz UPEGDSFNAAAIGK-KSSFIOAISA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473911 434516544 /nfs/dbraw/zinc/51/65/44/434516544.db2.gz UPEGDSFNAAAIGK-KSSFIOAISA-N 2 2 315.486 3.452 20 0 DGADLP CCC[C@@H](O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000296147780 434525922 /nfs/dbraw/zinc/52/59/22/434525922.db2.gz XRLCKFXJBFQPFA-MRXNPFEDSA-N 2 2 301.434 3.143 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H](C)O1 ZINC000296156664 434526518 /nfs/dbraw/zinc/52/65/18/434526518.db2.gz WHERTVCBEZZAGR-XUJVJEKNSA-N 2 2 305.809 3.181 20 0 DGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353926976 434528390 /nfs/dbraw/zinc/52/83/90/434528390.db2.gz IDZPCPMCRZXUNL-MOPGFXCFSA-N 2 2 313.445 3.226 20 0 DGADLP CCc1oc2ccccc2c1C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353923394 434530142 /nfs/dbraw/zinc/53/01/42/434530142.db2.gz QBOJXERKTYOLOC-UHFFFAOYSA-N 2 2 324.428 3.036 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000353932049 434532583 /nfs/dbraw/zinc/53/25/83/434532583.db2.gz KZOHJKWURVIKKA-KRWDZBQOSA-N 2 2 318.461 3.002 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCSCC1 ZINC000353927954 434533589 /nfs/dbraw/zinc/53/35/89/434533589.db2.gz JVDFMTRMVHUQPU-AWEZNQCLSA-N 2 2 301.459 3.494 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(N3CCCCC3)nc2)c[nH+]1 ZINC000353928358 434533779 /nfs/dbraw/zinc/53/37/79/434533779.db2.gz COCICPJSTDBUNJ-UHFFFAOYSA-N 2 2 324.472 3.498 20 0 DGADLP COc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cc1OC ZINC000353935366 434536297 /nfs/dbraw/zinc/53/62/97/434536297.db2.gz WHTPJOSHKJMOMT-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000353935052 434536596 /nfs/dbraw/zinc/53/65/96/434536596.db2.gz UKIMKNOBTBOWSO-CQSZACIVSA-N 2 2 324.490 3.064 20 0 DGADLP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353944641 434539148 /nfs/dbraw/zinc/53/91/48/434539148.db2.gz KXYZWSBWKUJHKN-RTBURBONSA-N 2 2 313.445 3.226 20 0 DGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000353940499 434539830 /nfs/dbraw/zinc/53/98/30/434539830.db2.gz BRVWVONPUCATQF-HZPDHXFCSA-N 2 2 301.434 3.140 20 0 DGADLP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423804670 434542263 /nfs/dbraw/zinc/54/22/63/434542263.db2.gz CFGIMMHMTQBYNS-ZDUSSCGKSA-N 2 2 316.449 3.040 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975457 434552816 /nfs/dbraw/zinc/55/28/16/434552816.db2.gz UXDNDQLXLJKANY-KRWDZBQOSA-N 2 2 320.525 3.419 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975457 434552822 /nfs/dbraw/zinc/55/28/22/434552822.db2.gz UXDNDQLXLJKANY-KRWDZBQOSA-N 2 2 320.525 3.419 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975457 434552827 /nfs/dbraw/zinc/55/28/27/434552827.db2.gz UXDNDQLXLJKANY-KRWDZBQOSA-N 2 2 320.525 3.419 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975457 434552832 /nfs/dbraw/zinc/55/28/32/434552832.db2.gz UXDNDQLXLJKANY-KRWDZBQOSA-N 2 2 320.525 3.419 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975466 434553444 /nfs/dbraw/zinc/55/34/44/434553444.db2.gz UXDNDQLXLJKANY-QGZVFWFLSA-N 2 2 320.525 3.419 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975466 434553450 /nfs/dbraw/zinc/55/34/50/434553450.db2.gz UXDNDQLXLJKANY-QGZVFWFLSA-N 2 2 320.525 3.419 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975466 434553455 /nfs/dbraw/zinc/55/34/55/434553455.db2.gz UXDNDQLXLJKANY-QGZVFWFLSA-N 2 2 320.525 3.419 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000353975466 434553461 /nfs/dbraw/zinc/55/34/61/434553461.db2.gz UXDNDQLXLJKANY-QGZVFWFLSA-N 2 2 320.525 3.419 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802176 295019597 /nfs/dbraw/zinc/01/95/97/295019597.db2.gz BFGJDEMCZBKGNP-IIAWOOMASA-N 2 2 306.450 3.274 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)ccc2n1C ZINC000525724269 295028364 /nfs/dbraw/zinc/02/83/64/295028364.db2.gz USCZFQYBAZDLMQ-GOSISDBHSA-N 2 2 322.412 3.123 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108228 295057566 /nfs/dbraw/zinc/05/75/66/295057566.db2.gz LJPMDLDCXARFSH-YJBOKZPZSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108228 295057567 /nfs/dbraw/zinc/05/75/67/295057567.db2.gz LJPMDLDCXARFSH-YJBOKZPZSA-N 2 2 301.478 3.318 20 0 DGADLP COC[C@@H](C)C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111525 295078802 /nfs/dbraw/zinc/07/88/02/295078802.db2.gz WGABZATVZHSUKJ-LPHOPBHVSA-N 2 2 318.505 3.332 20 0 DGADLP COC[C@@H](C)C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111525 295078804 /nfs/dbraw/zinc/07/88/04/295078804.db2.gz WGABZATVZHSUKJ-LPHOPBHVSA-N 2 2 318.505 3.332 20 0 DGADLP Cn1c(CCC[NH2+]Cc2ccncc2Cl)[nH+]c2ccccc21 ZINC000527661407 295111464 /nfs/dbraw/zinc/11/14/64/295111464.db2.gz JZIDAMQFIOFVHB-UHFFFAOYSA-N 2 2 314.820 3.344 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527806128 295133746 /nfs/dbraw/zinc/13/37/46/295133746.db2.gz DGURKRXCPNXQRA-FQEVSTJZSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527806128 295133749 /nfs/dbraw/zinc/13/37/49/295133749.db2.gz DGURKRXCPNXQRA-FQEVSTJZSA-N 2 2 313.489 3.262 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1 ZINC000527905228 295148571 /nfs/dbraw/zinc/14/85/71/295148571.db2.gz SNWJSSKZYVQXPW-QFBILLFUSA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000527905228 295148569 /nfs/dbraw/zinc/14/85/69/295148569.db2.gz SNWJSSKZYVQXPW-QFBILLFUSA-N 2 2 304.478 3.307 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C(C)C)c1 ZINC000527905852 295148607 /nfs/dbraw/zinc/14/86/07/295148607.db2.gz XEZXJVFCELSDEQ-OALUTQOASA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C(C)C)c1 ZINC000527905852 295148610 /nfs/dbraw/zinc/14/86/10/295148610.db2.gz XEZXJVFCELSDEQ-OALUTQOASA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cc[nH+]c(N2CCN(c3[nH+]ccc4ccccc43)CC2)c1 ZINC000527930755 295152511 /nfs/dbraw/zinc/15/25/11/295152511.db2.gz GLFBPRRGEZXQEV-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccnc2C(F)(F)F)CC1 ZINC000528398459 295208654 /nfs/dbraw/zinc/20/86/54/295208654.db2.gz UAEIRDJZPOIUIH-UHFFFAOYSA-N 2 2 315.383 3.407 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528415081 295210999 /nfs/dbraw/zinc/21/09/99/295210999.db2.gz CIDVYSRKJLGSCC-LBPRGKRZSA-N 2 2 310.323 3.203 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528415081 295211000 /nfs/dbraw/zinc/21/10/00/295211000.db2.gz CIDVYSRKJLGSCC-LBPRGKRZSA-N 2 2 310.323 3.203 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427489 295212605 /nfs/dbraw/zinc/21/26/05/295212605.db2.gz ZSBFLRCLAHBYJL-ZTFGCOKTSA-N 2 2 317.408 3.293 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427489 295212607 /nfs/dbraw/zinc/21/26/07/295212607.db2.gz ZSBFLRCLAHBYJL-ZTFGCOKTSA-N 2 2 317.408 3.293 20 0 DGADLP COC1(C(F)(F)F)CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000418102587 434586209 /nfs/dbraw/zinc/58/62/09/434586209.db2.gz UUWQRQIWDKWCQX-UHFFFAOYSA-N 2 2 316.367 3.366 20 0 DGADLP C[NH+](C)C1(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000418113895 434590636 /nfs/dbraw/zinc/59/06/36/434590636.db2.gz KLSAINILHMYIKF-UHFFFAOYSA-N 2 2 320.440 3.209 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C(C)(C)C)C3)sc2C1 ZINC000459639882 434645397 /nfs/dbraw/zinc/64/53/97/434645397.db2.gz KSRNJSPCIRISAS-UHFFFAOYSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C(C)(C)C)C3)sc2C1 ZINC000459639882 434645403 /nfs/dbraw/zinc/64/54/03/434645403.db2.gz KSRNJSPCIRISAS-UHFFFAOYSA-N 2 2 307.507 3.388 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(CC)s1 ZINC000349181817 434628573 /nfs/dbraw/zinc/62/85/73/434628573.db2.gz FLIOOJSCRKHKMQ-UHFFFAOYSA-N 2 2 306.479 3.377 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(CC)s1 ZINC000349181817 434628578 /nfs/dbraw/zinc/62/85/78/434628578.db2.gz FLIOOJSCRKHKMQ-UHFFFAOYSA-N 2 2 306.479 3.377 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000349183389 434629462 /nfs/dbraw/zinc/62/94/62/434629462.db2.gz GXGZSKLXAHEUOR-UHFFFAOYSA-N 3 2 314.477 3.494 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000349183389 434629466 /nfs/dbraw/zinc/62/94/66/434629466.db2.gz GXGZSKLXAHEUOR-UHFFFAOYSA-N 3 2 314.477 3.494 20 0 DGADLP Cc1nc(C2([NH2+]CCCc3ccc(C)[nH+]c3)CCCCC2)no1 ZINC000354156593 434645598 /nfs/dbraw/zinc/64/55/98/434645598.db2.gz AFMPFQFUKWMNTC-UHFFFAOYSA-N 2 2 314.433 3.463 20 0 DGADLP Cc1ccc(NCc2c[nH+]cn2C(C)C)c(OCC[NH+](C)C)c1 ZINC000424156593 434638457 /nfs/dbraw/zinc/63/84/57/434638457.db2.gz PLNOJNWILOMLCH-UHFFFAOYSA-N 2 2 316.449 3.325 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000459628608 434640264 /nfs/dbraw/zinc/64/02/64/434640264.db2.gz FTDFJXOCPBAZAT-CALCHBBNSA-N 2 2 322.880 3.462 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000354145805 434640570 /nfs/dbraw/zinc/64/05/70/434640570.db2.gz HBGYUCDJKNXOEC-MUYFXNHWSA-N 2 2 324.509 3.208 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000418140875 434601487 /nfs/dbraw/zinc/60/14/87/434601487.db2.gz GBJSPYCTJMASOV-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CC(C)[C@@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000360427330 434604131 /nfs/dbraw/zinc/60/41/31/434604131.db2.gz JRIAGROBYHAESM-LJQANCHMSA-N 2 2 317.521 3.219 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000371392793 434691258 /nfs/dbraw/zinc/69/12/58/434691258.db2.gz KWWFZOPBVWJLGZ-OAHLLOKOSA-N 2 2 313.445 3.272 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166159 434648822 /nfs/dbraw/zinc/64/88/22/434648822.db2.gz IXGRIXNGHPRUPS-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166159 434648828 /nfs/dbraw/zinc/64/88/28/434648828.db2.gz IXGRIXNGHPRUPS-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166159 434648837 /nfs/dbraw/zinc/64/88/37/434648837.db2.gz IXGRIXNGHPRUPS-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cccc4F)[nH]3)C2)C1 ZINC000354166159 434648842 /nfs/dbraw/zinc/64/88/42/434648842.db2.gz IXGRIXNGHPRUPS-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660469 434649713 /nfs/dbraw/zinc/64/97/13/434649713.db2.gz LNSQASBZTVRHRD-UHFFFAOYSA-N 2 2 323.444 3.062 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167151 434649990 /nfs/dbraw/zinc/64/99/90/434649990.db2.gz OHOJQGZQTBHJLF-BWDYHRDRSA-N 2 2 306.400 3.396 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167151 434649996 /nfs/dbraw/zinc/64/99/96/434649996.db2.gz OHOJQGZQTBHJLF-BWDYHRDRSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167151 434650003 /nfs/dbraw/zinc/65/00/03/434650003.db2.gz OHOJQGZQTBHJLF-BWDYHRDRSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167151 434650010 /nfs/dbraw/zinc/65/00/10/434650010.db2.gz OHOJQGZQTBHJLF-BWDYHRDRSA-N 2 2 306.400 3.396 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000459669248 434655542 /nfs/dbraw/zinc/65/55/42/434655542.db2.gz CVYANSHBWQFYNT-IZIZEDOESA-N 2 2 302.462 3.369 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000459669248 434655549 /nfs/dbraw/zinc/65/55/49/434655549.db2.gz CVYANSHBWQFYNT-IZIZEDOESA-N 2 2 302.462 3.369 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000354192233 434663605 /nfs/dbraw/zinc/66/36/05/434663605.db2.gz RUVLMXQZMRKPRP-GJZGRUSLSA-N 2 2 301.434 3.290 20 0 DGADLP COc1cccc2c1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000459696806 434668528 /nfs/dbraw/zinc/66/85/28/434668528.db2.gz KAQGKTVVXYNGRR-QGZVFWFLSA-N 2 2 319.408 3.138 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220398 434673496 /nfs/dbraw/zinc/67/34/96/434673496.db2.gz FNOSMMADESGPSO-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220398 434673501 /nfs/dbraw/zinc/67/35/01/434673501.db2.gz FNOSMMADESGPSO-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220398 434673505 /nfs/dbraw/zinc/67/35/05/434673505.db2.gz FNOSMMADESGPSO-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220398 434673513 /nfs/dbraw/zinc/67/35/13/434673513.db2.gz FNOSMMADESGPSO-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220304 434674418 /nfs/dbraw/zinc/67/44/18/434674418.db2.gz FCDSXPHWMKVZMH-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220304 434674422 /nfs/dbraw/zinc/67/44/22/434674422.db2.gz FCDSXPHWMKVZMH-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220304 434674427 /nfs/dbraw/zinc/67/44/27/434674427.db2.gz FCDSXPHWMKVZMH-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220304 434674431 /nfs/dbraw/zinc/67/44/31/434674431.db2.gz FCDSXPHWMKVZMH-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219869 434674457 /nfs/dbraw/zinc/67/44/57/434674457.db2.gz FRWOVNWYKKYRAA-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219869 434674461 /nfs/dbraw/zinc/67/44/61/434674461.db2.gz FRWOVNWYKKYRAA-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219869 434674466 /nfs/dbraw/zinc/67/44/66/434674466.db2.gz FRWOVNWYKKYRAA-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219869 434674471 /nfs/dbraw/zinc/67/44/71/434674471.db2.gz FRWOVNWYKKYRAA-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP COCCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccncc1 ZINC000349332650 434675881 /nfs/dbraw/zinc/67/58/81/434675881.db2.gz OCWWMZSTXZOGJL-UHFFFAOYSA-N 2 2 313.445 3.256 20 0 DGADLP COCCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccncc1 ZINC000349332650 434675885 /nfs/dbraw/zinc/67/58/85/434675885.db2.gz OCWWMZSTXZOGJL-UHFFFAOYSA-N 2 2 313.445 3.256 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285335 434678624 /nfs/dbraw/zinc/67/86/24/434678624.db2.gz DKUJTUQAVWUCHK-DJABAAGCSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285335 434678631 /nfs/dbraw/zinc/67/86/31/434678631.db2.gz DKUJTUQAVWUCHK-DJABAAGCSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000459736991 434688084 /nfs/dbraw/zinc/68/80/84/434688084.db2.gz AFXXMAOCEZIJGX-ZDUSSCGKSA-N 2 2 321.465 3.407 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000459736991 434688090 /nfs/dbraw/zinc/68/80/90/434688090.db2.gz AFXXMAOCEZIJGX-ZDUSSCGKSA-N 2 2 321.465 3.407 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC)c1OC(F)F ZINC000349415240 434708683 /nfs/dbraw/zinc/70/86/83/434708683.db2.gz IGPKQZHLIONBBO-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC)c1OC(F)F ZINC000349415240 434708687 /nfs/dbraw/zinc/70/86/87/434708687.db2.gz IGPKQZHLIONBBO-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cn2cc(Cl)ccc2n1 ZINC000349410934 434710169 /nfs/dbraw/zinc/71/01/69/434710169.db2.gz VEQRPQRVSVXKFS-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cn2cc(Cl)ccc2n1 ZINC000349410934 434710175 /nfs/dbraw/zinc/71/01/75/434710175.db2.gz VEQRPQRVSVXKFS-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccccc1C ZINC000349412384 434710961 /nfs/dbraw/zinc/71/09/61/434710961.db2.gz CDCPGRBFRWCRES-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccccc1C ZINC000349412384 434710967 /nfs/dbraw/zinc/71/09/67/434710967.db2.gz CDCPGRBFRWCRES-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000361002014 434762002 /nfs/dbraw/zinc/76/20/02/434762002.db2.gz HWCCTAJGNOHSKD-KFKAGJAMSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000361002014 434762011 /nfs/dbraw/zinc/76/20/11/434762011.db2.gz HWCCTAJGNOHSKD-KFKAGJAMSA-N 2 2 302.462 3.227 20 0 DGADLP COC(=O)C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000411346196 434765345 /nfs/dbraw/zinc/76/53/45/434765345.db2.gz IHHVKVVWPUYKKI-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP COC(=O)C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000411346196 434765352 /nfs/dbraw/zinc/76/53/52/434765352.db2.gz IHHVKVVWPUYKKI-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP Cc1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000361044112 434776685 /nfs/dbraw/zinc/77/66/85/434776685.db2.gz HDJNJXYXAAEICX-UHFFFAOYSA-N 2 2 304.463 3.340 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424096 434777884 /nfs/dbraw/zinc/77/78/84/434777884.db2.gz KPQHMYMQZZUDRG-WBAXXEDZSA-N 2 2 313.420 3.370 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424096 434777892 /nfs/dbraw/zinc/77/78/92/434777892.db2.gz KPQHMYMQZZUDRG-WBAXXEDZSA-N 2 2 313.420 3.370 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000453053321 434783890 /nfs/dbraw/zinc/78/38/90/434783890.db2.gz FZIJJMGVNGOQQO-JCGIZDLHSA-N 2 2 311.429 3.481 20 0 DGADLP CC[C@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(=O)OC ZINC000411440590 434782032 /nfs/dbraw/zinc/78/20/32/434782032.db2.gz OLZRWEAGXVDSTE-IBGZPJMESA-N 2 2 318.461 3.104 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076951 434790387 /nfs/dbraw/zinc/79/03/87/434790387.db2.gz WVZBQKDWIWDKTE-SNRMKQJTSA-N 2 2 312.461 3.296 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076951 434790397 /nfs/dbraw/zinc/79/03/97/434790397.db2.gz WVZBQKDWIWDKTE-SNRMKQJTSA-N 2 2 312.461 3.296 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncn2)cc1 ZINC000453125651 434809248 /nfs/dbraw/zinc/80/92/48/434809248.db2.gz JPOKWQYUURQDKM-KGLIPLIRSA-N 2 2 307.401 3.383 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000453133201 434810900 /nfs/dbraw/zinc/81/09/00/434810900.db2.gz YHZSRAZARYGVRB-HZPDHXFCSA-N 2 2 312.461 3.127 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361188540 434825929 /nfs/dbraw/zinc/82/59/29/434825929.db2.gz LICINZJRYSWQCM-RDTXWAMCSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361188540 434825934 /nfs/dbraw/zinc/82/59/34/434825934.db2.gz LICINZJRYSWQCM-RDTXWAMCSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000361188540 434825938 /nfs/dbraw/zinc/82/59/38/434825938.db2.gz LICINZJRYSWQCM-RDTXWAMCSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000361188540 434825940 /nfs/dbraw/zinc/82/59/40/434825940.db2.gz LICINZJRYSWQCM-RDTXWAMCSA-N 2 2 318.436 3.283 20 0 DGADLP COC[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000453235467 434835989 /nfs/dbraw/zinc/83/59/89/434835989.db2.gz LXEMWYZWLZNRQE-HNNXBMFYSA-N 2 2 307.825 3.286 20 0 DGADLP COC[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)C ZINC000453235468 434837412 /nfs/dbraw/zinc/83/74/12/434837412.db2.gz LXEMWYZWLZNRQE-OAHLLOKOSA-N 2 2 307.825 3.286 20 0 DGADLP COC[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000453242421 434838474 /nfs/dbraw/zinc/83/84/74/434838474.db2.gz XOQGJYNFULPWAD-HNNXBMFYSA-N 2 2 305.809 3.040 20 0 DGADLP CC[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCOC1 ZINC000453241085 434839239 /nfs/dbraw/zinc/83/92/39/434839239.db2.gz VFFKUHTWQVAXIL-XJKSGUPXSA-N 2 2 319.836 3.430 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453252066 434840015 /nfs/dbraw/zinc/84/00/15/434840015.db2.gz BONRJPHKRKKQJJ-RTBURBONSA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453252066 434840017 /nfs/dbraw/zinc/84/00/17/434840017.db2.gz BONRJPHKRKKQJJ-RTBURBONSA-N 2 2 304.478 3.210 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C2CCC2)cc1 ZINC000453254188 434842067 /nfs/dbraw/zinc/84/20/67/434842067.db2.gz DGYYKKHQMFQGPZ-PMACEKPBSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C2CCC2)cc1 ZINC000453254188 434842071 /nfs/dbraw/zinc/84/20/71/434842071.db2.gz DGYYKKHQMFQGPZ-PMACEKPBSA-N 2 2 316.489 3.273 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453257529 434842155 /nfs/dbraw/zinc/84/21/55/434842155.db2.gz HCKZGWFDPSVTLH-WOJBJXKFSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453257529 434842158 /nfs/dbraw/zinc/84/21/58/434842158.db2.gz HCKZGWFDPSVTLH-WOJBJXKFSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000412058555 434863585 /nfs/dbraw/zinc/86/35/85/434863585.db2.gz AVJDWUPTHDHRJM-MRXNPFEDSA-N 2 2 321.465 3.107 20 0 DGADLP CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000412058555 434863587 /nfs/dbraw/zinc/86/35/87/434863587.db2.gz AVJDWUPTHDHRJM-MRXNPFEDSA-N 2 2 321.465 3.107 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265839 434845299 /nfs/dbraw/zinc/84/52/99/434845299.db2.gz WWEUSBQKQFBKCV-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265839 434845301 /nfs/dbraw/zinc/84/53/01/434845301.db2.gz WWEUSBQKQFBKCV-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453265774 434845381 /nfs/dbraw/zinc/84/53/81/434845381.db2.gz WTSNIEFSPYGILV-LPHOPBHVSA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453265774 434845385 /nfs/dbraw/zinc/84/53/85/434845385.db2.gz WTSNIEFSPYGILV-LPHOPBHVSA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453265779 434845481 /nfs/dbraw/zinc/84/54/81/434845481.db2.gz WTSNIEFSPYGILV-VQIMIIECSA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453265779 434845483 /nfs/dbraw/zinc/84/54/83/434845483.db2.gz WTSNIEFSPYGILV-VQIMIIECSA-N 2 2 304.478 3.307 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000453274543 434846241 /nfs/dbraw/zinc/84/62/41/434846241.db2.gz WKMDMPCUZAIQOL-WMZOPIPTSA-N 2 2 322.518 3.416 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000453274543 434846245 /nfs/dbraw/zinc/84/62/45/434846245.db2.gz WKMDMPCUZAIQOL-WMZOPIPTSA-N 2 2 322.518 3.416 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(-n2cccn2)cc1 ZINC000573152112 434877154 /nfs/dbraw/zinc/87/71/54/434877154.db2.gz JUXJKJHRCHQPSJ-HNNXBMFYSA-N 2 2 321.428 3.256 20 0 DGADLP CC[NH2+]Cc1cccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000637809142 434885242 /nfs/dbraw/zinc/88/52/42/434885242.db2.gz QQAZVWNRUASGLK-KRWDZBQOSA-N 2 2 314.433 3.219 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=Cc4ccccc4OC3)C2)cc1 ZINC000521822849 434895701 /nfs/dbraw/zinc/89/57/01/434895701.db2.gz XKFNZILOEOXXRF-HXUWFJFHSA-N 2 2 320.436 3.327 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)cc1O ZINC000637949658 434915038 /nfs/dbraw/zinc/91/50/38/434915038.db2.gz AUTOLMBJZCYFSC-LLVKDONJSA-N 2 2 321.808 3.157 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)cc1O ZINC000637949658 434915040 /nfs/dbraw/zinc/91/50/40/434915040.db2.gz AUTOLMBJZCYFSC-LLVKDONJSA-N 2 2 321.808 3.157 20 0 DGADLP CS[C@@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)C[C@H]1[NH+](C)C ZINC000460953843 434866437 /nfs/dbraw/zinc/86/64/37/434866437.db2.gz WAALEBWEWDJHDZ-IAGOWNOFSA-N 2 2 315.486 3.333 20 0 DGADLP O=C(/C=C/c1ccc(F)cc1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491881014 434874435 /nfs/dbraw/zinc/87/44/35/434874435.db2.gz FROSFTZNPNIHMI-ZZXKWVIFSA-N 2 2 308.316 3.058 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000573931045 434936252 /nfs/dbraw/zinc/93/62/52/434936252.db2.gz JFTDSHHVKXHVPX-AWEZNQCLSA-N 2 2 324.515 3.124 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000573931045 434936253 /nfs/dbraw/zinc/93/62/53/434936253.db2.gz JFTDSHHVKXHVPX-AWEZNQCLSA-N 2 2 324.515 3.124 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000554557454 434937084 /nfs/dbraw/zinc/93/70/84/434937084.db2.gz OIBNAUVMZCFHIB-NZSAHSFTSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000554557454 434937087 /nfs/dbraw/zinc/93/70/87/434937087.db2.gz OIBNAUVMZCFHIB-NZSAHSFTSA-N 2 2 314.473 3.056 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000462964481 434938448 /nfs/dbraw/zinc/93/84/48/434938448.db2.gz JHMONAQMQAWTKE-LALPHHSUSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000462964481 434938453 /nfs/dbraw/zinc/93/84/53/434938453.db2.gz JHMONAQMQAWTKE-LALPHHSUSA-N 2 2 308.372 3.005 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000463234557 434948661 /nfs/dbraw/zinc/94/86/61/434948661.db2.gz CXSASTYUGILIPG-UHFFFAOYSA-N 2 2 315.505 3.367 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000463234557 434948666 /nfs/dbraw/zinc/94/86/66/434948666.db2.gz CXSASTYUGILIPG-UHFFFAOYSA-N 2 2 315.505 3.367 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(C)CCCCCC2)CC1 ZINC000463239595 434948958 /nfs/dbraw/zinc/94/89/58/434948958.db2.gz XXSKUMMELKEYEM-UHFFFAOYSA-N 2 2 324.509 3.354 20 0 DGADLP CC1=CC[N@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000554861062 434950506 /nfs/dbraw/zinc/95/05/06/434950506.db2.gz IOKWEGMHEUVREY-UHFFFAOYSA-N 2 2 306.400 3.452 20 0 DGADLP CC1=CC[N@@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000554861062 434950511 /nfs/dbraw/zinc/95/05/11/434950511.db2.gz IOKWEGMHEUVREY-UHFFFAOYSA-N 2 2 306.400 3.452 20 0 DGADLP COc1cccc2c1CC[N@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000554867983 434951259 /nfs/dbraw/zinc/95/12/59/434951259.db2.gz XTLQQKKTHQGWIL-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP COc1cccc2c1CC[N@@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000554867983 434951266 /nfs/dbraw/zinc/95/12/66/434951266.db2.gz XTLQQKKTHQGWIL-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000555524934 434976191 /nfs/dbraw/zinc/97/61/91/434976191.db2.gz UKORPIZGMCBUID-ZWKOTPCHSA-N 2 2 324.509 3.354 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638115780 434954388 /nfs/dbraw/zinc/95/43/88/434954388.db2.gz GLIOORMUHJGSSX-GWCFXTLKSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638115780 434954392 /nfs/dbraw/zinc/95/43/92/434954392.db2.gz GLIOORMUHJGSSX-GWCFXTLKSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115780 434954394 /nfs/dbraw/zinc/95/43/94/434954394.db2.gz GLIOORMUHJGSSX-GWCFXTLKSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115780 434954398 /nfs/dbraw/zinc/95/43/98/434954398.db2.gz GLIOORMUHJGSSX-GWCFXTLKSA-N 2 2 316.276 3.490 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638126943 434960094 /nfs/dbraw/zinc/96/00/94/434960094.db2.gz CQQRDUCUJFYOAS-INIZCTEOSA-N 2 2 324.428 3.336 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccns1 ZINC000638148860 434964097 /nfs/dbraw/zinc/96/40/97/434964097.db2.gz AGRYTCTWNUHLFE-CQSZACIVSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccns1 ZINC000638148860 434964100 /nfs/dbraw/zinc/96/41/00/434964100.db2.gz AGRYTCTWNUHLFE-CQSZACIVSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000638149036 434965294 /nfs/dbraw/zinc/96/52/94/434965294.db2.gz DQQDFCWCEPPODO-DLBZAZTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCC[C@@H]1CCO1 ZINC000638149036 434965298 /nfs/dbraw/zinc/96/52/98/434965298.db2.gz DQQDFCWCEPPODO-DLBZAZTESA-N 2 2 313.445 3.378 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555462570 434975341 /nfs/dbraw/zinc/97/53/41/434975341.db2.gz QUPONFBRYVWBSF-MSOLQXFVSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555462570 434975346 /nfs/dbraw/zinc/97/53/46/434975346.db2.gz QUPONFBRYVWBSF-MSOLQXFVSA-N 2 2 308.510 3.247 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638186431 434975448 /nfs/dbraw/zinc/97/54/48/434975448.db2.gz TZLKLUHMDAQYOW-CABCVRRESA-N 2 2 305.491 3.053 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462841912 434933823 /nfs/dbraw/zinc/93/38/23/434933823.db2.gz PXAJNNHSRBACKV-QRQLOZEOSA-N 2 2 304.478 3.302 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462841912 434933827 /nfs/dbraw/zinc/93/38/27/434933827.db2.gz PXAJNNHSRBACKV-QRQLOZEOSA-N 2 2 304.478 3.302 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccns3)CC2)cc1 ZINC000638387398 435020271 /nfs/dbraw/zinc/02/02/71/435020271.db2.gz ZZANLBOHYIMFLB-UHFFFAOYSA-N 2 2 305.422 3.036 20 0 DGADLP CO[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000638421793 435027971 /nfs/dbraw/zinc/02/79/71/435027971.db2.gz XLFSQHZCVPCDDN-LJQANCHMSA-N 2 2 321.424 3.220 20 0 DGADLP CO[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000638441359 435031064 /nfs/dbraw/zinc/03/10/64/435031064.db2.gz FYRIUSQNQFWIFI-KRWDZBQOSA-N 2 2 323.440 3.343 20 0 DGADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccns3)C2)c1 ZINC000638447406 435032165 /nfs/dbraw/zinc/03/21/65/435032165.db2.gz JOKUYZYVIPCQLQ-ZDUSSCGKSA-N 2 2 307.488 3.206 20 0 DGADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccns3)C2)c1 ZINC000638447406 435032167 /nfs/dbraw/zinc/03/21/67/435032167.db2.gz JOKUYZYVIPCQLQ-ZDUSSCGKSA-N 2 2 307.488 3.206 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000574629868 434991573 /nfs/dbraw/zinc/99/15/73/434991573.db2.gz AHMQNMUHCSCQDO-HKUYNNGSSA-N 3 2 303.494 3.017 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000574629868 434991579 /nfs/dbraw/zinc/99/15/79/434991579.db2.gz AHMQNMUHCSCQDO-HKUYNNGSSA-N 3 2 303.494 3.017 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccn1 ZINC000556236426 435002014 /nfs/dbraw/zinc/00/20/14/435002014.db2.gz RIVOGHYLUMCRBO-AWEZNQCLSA-N 2 2 300.406 3.028 20 0 DGADLP Fc1ccc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)nc2c1F ZINC000638322333 435005677 /nfs/dbraw/zinc/00/56/77/435005677.db2.gz YPCXSLZPVOCULO-UHFFFAOYSA-N 2 2 317.383 3.229 20 0 DGADLP Cc1nnsc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000638610361 435058815 /nfs/dbraw/zinc/05/88/15/435058815.db2.gz CBHHXYHIIHCSQK-AWEZNQCLSA-N 2 2 316.474 3.162 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(F)c1N)[N@H+](C)Cc1ccccc1 ZINC000638619240 435058987 /nfs/dbraw/zinc/05/89/87/435058987.db2.gz QUAGMJWSBCVUGD-AWEZNQCLSA-N 2 2 301.409 3.018 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(F)c1N)[N@@H+](C)Cc1ccccc1 ZINC000638619240 435058991 /nfs/dbraw/zinc/05/89/91/435058991.db2.gz QUAGMJWSBCVUGD-AWEZNQCLSA-N 2 2 301.409 3.018 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906554 435059105 /nfs/dbraw/zinc/05/91/05/435059105.db2.gz CJXHWAIPWVXHHH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906554 435059107 /nfs/dbraw/zinc/05/91/07/435059107.db2.gz CJXHWAIPWVXHHH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906554 435059111 /nfs/dbraw/zinc/05/91/11/435059111.db2.gz CJXHWAIPWVXHHH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000530906554 435059113 /nfs/dbraw/zinc/05/91/13/435059113.db2.gz CJXHWAIPWVXHHH-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638711172 435074017 /nfs/dbraw/zinc/07/40/17/435074017.db2.gz XMWZKVWXMQHPCP-SKDRFNHKSA-N 2 2 302.249 3.148 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638711172 435074021 /nfs/dbraw/zinc/07/40/21/435074021.db2.gz XMWZKVWXMQHPCP-SKDRFNHKSA-N 2 2 302.249 3.148 20 0 DGADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000556883298 435034690 /nfs/dbraw/zinc/03/46/90/435034690.db2.gz BNEORNSZXWHFOW-SLFFLAALSA-N 2 2 316.489 3.413 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@@H+]3CC3CCCCC3)C2)c1 ZINC000638522762 435045909 /nfs/dbraw/zinc/04/59/09/435045909.db2.gz WLDIABIINIIBKJ-XBMUEBEBSA-N 2 2 316.493 3.221 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@H+]3CC3CCCCC3)C2)c1 ZINC000638522762 435045912 /nfs/dbraw/zinc/04/59/12/435045912.db2.gz WLDIABIINIIBKJ-XBMUEBEBSA-N 2 2 316.493 3.221 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C(C)(C)C ZINC000638604612 435057109 /nfs/dbraw/zinc/05/71/09/435057109.db2.gz KLOWBPJXYSMPOP-CVEARBPZSA-N 2 2 321.513 3.382 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1CNCc1cn2cc(C)ccc2[nH+]1 ZINC000560050945 435147358 /nfs/dbraw/zinc/14/73/58/435147358.db2.gz URMQQWWGDXBCAX-GOSISDBHSA-N 2 2 314.477 3.387 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1CNCc1cn2cc(C)ccc2[nH+]1 ZINC000560050945 435147362 /nfs/dbraw/zinc/14/73/62/435147362.db2.gz URMQQWWGDXBCAX-GOSISDBHSA-N 2 2 314.477 3.387 20 0 DGADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c2ncccc12 ZINC000560077035 435148737 /nfs/dbraw/zinc/14/87/37/435148737.db2.gz OFBMEKSWYWFFDD-UHFFFAOYSA-N 2 2 310.376 3.197 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000474478706 435149411 /nfs/dbraw/zinc/14/94/11/435149411.db2.gz AYOBEWDLOWGUAS-UHFFFAOYSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@@H+]1C ZINC000532219406 435149510 /nfs/dbraw/zinc/14/95/10/435149510.db2.gz VLMWPCJAVHRZCY-WBVHZDCISA-N 2 2 317.477 3.365 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@H+]1C ZINC000532219406 435149511 /nfs/dbraw/zinc/14/95/11/435149511.db2.gz VLMWPCJAVHRZCY-WBVHZDCISA-N 2 2 317.477 3.365 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cccc(F)c1N ZINC000638872782 435110524 /nfs/dbraw/zinc/11/05/24/435110524.db2.gz YLUKHKSKZDROLO-UHFFFAOYSA-N 2 2 312.392 3.017 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+]1C ZINC000531737226 435115586 /nfs/dbraw/zinc/11/55/86/435115586.db2.gz WWWKTBWGFSSYMU-COXVUDFISA-N 2 2 309.885 3.015 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)CC[N@H+]1C ZINC000531737226 435115591 /nfs/dbraw/zinc/11/55/91/435115591.db2.gz WWWKTBWGFSSYMU-COXVUDFISA-N 2 2 309.885 3.015 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917136 435116056 /nfs/dbraw/zinc/11/60/56/435116056.db2.gz AOYSYLWAOQPPDC-BBRMVZONSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917136 435116058 /nfs/dbraw/zinc/11/60/58/435116058.db2.gz AOYSYLWAOQPPDC-BBRMVZONSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917136 435116062 /nfs/dbraw/zinc/11/60/62/435116062.db2.gz AOYSYLWAOQPPDC-BBRMVZONSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917136 435116064 /nfs/dbraw/zinc/11/60/64/435116064.db2.gz AOYSYLWAOQPPDC-BBRMVZONSA-N 2 2 312.379 3.317 20 0 DGADLP CCOC1CC(C[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000639090125 435149797 /nfs/dbraw/zinc/14/97/97/435149797.db2.gz GEKZWHDGQIRVFQ-RMFNQSEZSA-N 2 2 304.478 3.391 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]CCC1CCOCC1)[NH+](C)C ZINC000639089288 435150047 /nfs/dbraw/zinc/15/00/47/435150047.db2.gz AMCNOYOLDMMCCK-LPHOPBHVSA-N 2 2 304.478 3.393 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531939361 435128307 /nfs/dbraw/zinc/12/83/07/435128307.db2.gz JJZMKGZATBKRSZ-HNNXBMFYSA-N 2 2 313.445 3.430 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCOC1 ZINC000531957771 435128998 /nfs/dbraw/zinc/12/89/98/435128998.db2.gz FVRLIUMSUUZSBN-KANFNMMFSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCOC1 ZINC000531957771 435129001 /nfs/dbraw/zinc/12/90/01/435129001.db2.gz FVRLIUMSUUZSBN-KANFNMMFSA-N 2 2 302.462 3.227 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000559542195 435133474 /nfs/dbraw/zinc/13/34/74/435133474.db2.gz WKGSIQZICBEYRE-CYBMUJFWSA-N 2 2 305.422 3.141 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000559542195 435133477 /nfs/dbraw/zinc/13/34/77/435133477.db2.gz WKGSIQZICBEYRE-CYBMUJFWSA-N 2 2 305.422 3.141 20 0 DGADLP CC1=CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902010 435143089 /nfs/dbraw/zinc/14/30/89/435143089.db2.gz OXTWCTZQVVZILJ-WOJBJXKFSA-N 2 2 314.473 3.366 20 0 DGADLP CC1=CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902010 435143092 /nfs/dbraw/zinc/14/30/92/435143092.db2.gz OXTWCTZQVVZILJ-WOJBJXKFSA-N 2 2 314.473 3.366 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000639072342 435145601 /nfs/dbraw/zinc/14/56/01/435145601.db2.gz VYVPGWBSBNZIFY-SOAGJPPSSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000639072342 435145605 /nfs/dbraw/zinc/14/56/05/435145605.db2.gz VYVPGWBSBNZIFY-SOAGJPPSSA-N 2 2 316.489 3.446 20 0 DGADLP COC[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CC1 ZINC000639177939 435183780 /nfs/dbraw/zinc/18/37/80/435183780.db2.gz DGNDFMRVCPYKCT-FHWLQOOXSA-N 2 2 311.429 3.126 20 0 DGADLP CC[C@H](C)[C@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180260 435187892 /nfs/dbraw/zinc/18/78/92/435187892.db2.gz XEXVCGUYASCOIS-YJBOKZPZSA-N 2 2 308.466 3.237 20 0 DGADLP CC[C@H](C)[C@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180260 435187897 /nfs/dbraw/zinc/18/78/97/435187897.db2.gz XEXVCGUYASCOIS-YJBOKZPZSA-N 2 2 308.466 3.237 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]CCC1CCOCC1 ZINC000639215959 435202021 /nfs/dbraw/zinc/20/20/21/435202021.db2.gz MVZRKZVLUHRYCY-UHFFFAOYSA-N 2 2 319.836 3.432 20 0 DGADLP CCOC1CC(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000639227393 435205167 /nfs/dbraw/zinc/20/51/67/435205167.db2.gz OGOWZUGVCQCXCB-UHFFFAOYSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1CC(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000639227393 435205171 /nfs/dbraw/zinc/20/51/71/435205171.db2.gz OGOWZUGVCQCXCB-UHFFFAOYSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240697 435151940 /nfs/dbraw/zinc/15/19/40/435151940.db2.gz OAEHNMSYQHSWHO-BBRMVZONSA-N 2 2 308.853 3.485 20 0 DGADLP CC[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159219 435152191 /nfs/dbraw/zinc/15/21/91/435152191.db2.gz KSAATLRCEPGJNM-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159219 435152197 /nfs/dbraw/zinc/15/21/97/435152197.db2.gz KSAATLRCEPGJNM-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159219 435152202 /nfs/dbraw/zinc/15/22/02/435152202.db2.gz KSAATLRCEPGJNM-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159219 435152207 /nfs/dbraw/zinc/15/22/07/435152207.db2.gz KSAATLRCEPGJNM-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000639103689 435156562 /nfs/dbraw/zinc/15/65/62/435156562.db2.gz MCZCTWAVVNSEFV-OAHLLOKOSA-N 2 2 319.399 3.429 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000639103689 435156565 /nfs/dbraw/zinc/15/65/65/435156565.db2.gz MCZCTWAVVNSEFV-OAHLLOKOSA-N 2 2 319.399 3.429 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000560244214 435156710 /nfs/dbraw/zinc/15/67/10/435156710.db2.gz AOAAYFAZKFYECZ-NZSAHSFTSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000560244214 435156713 /nfs/dbraw/zinc/15/67/13/435156713.db2.gz AOAAYFAZKFYECZ-NZSAHSFTSA-N 2 2 318.505 3.426 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000639108269 435158728 /nfs/dbraw/zinc/15/87/28/435158728.db2.gz WWVQEJCSSJQYQP-YLJYHZDGSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000639108269 435158733 /nfs/dbraw/zinc/15/87/33/435158733.db2.gz WWVQEJCSSJQYQP-YLJYHZDGSA-N 2 2 313.489 3.119 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474797623 435160555 /nfs/dbraw/zinc/16/05/55/435160555.db2.gz UBKWCMHYOMBOBZ-FFGOWVMKSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474797623 435160561 /nfs/dbraw/zinc/16/05/61/435160561.db2.gz UBKWCMHYOMBOBZ-FFGOWVMKSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639123824 435164794 /nfs/dbraw/zinc/16/47/94/435164794.db2.gz OWYJEIQOWYYQOU-UHFFFAOYSA-N 2 2 322.412 3.282 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000532440693 435165719 /nfs/dbraw/zinc/16/57/19/435165719.db2.gz FKIDZJPZGWCCCI-LPHOPBHVSA-N 2 2 304.478 3.256 20 0 DGADLP C[NH+](C)CCCC(C)(C)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000639231962 435207062 /nfs/dbraw/zinc/20/70/62/435207062.db2.gz XNZVGNWICZIDLR-HNNXBMFYSA-N 2 2 307.486 3.136 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000639257138 435214752 /nfs/dbraw/zinc/21/47/52/435214752.db2.gz JKMRVSDENYFCKT-LPHOPBHVSA-N 2 2 311.429 3.441 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000639257138 435214754 /nfs/dbraw/zinc/21/47/54/435214754.db2.gz JKMRVSDENYFCKT-LPHOPBHVSA-N 2 2 311.429 3.441 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2nc1OC ZINC000580364674 435226679 /nfs/dbraw/zinc/22/66/79/435226679.db2.gz YZGGVQCBJBFMKD-UHFFFAOYSA-N 2 2 315.461 3.407 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2nc1OC ZINC000580364674 435226685 /nfs/dbraw/zinc/22/66/85/435226685.db2.gz YZGGVQCBJBFMKD-UHFFFAOYSA-N 2 2 315.461 3.407 20 0 DGADLP CC[C@@H](C)[C@@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241017 435211322 /nfs/dbraw/zinc/21/13/22/435211322.db2.gz AHUQXDCNDUOTDV-UKRRQHHQSA-N 2 2 324.431 3.396 20 0 DGADLP CC[C@@H](C)[C@@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241017 435211326 /nfs/dbraw/zinc/21/13/26/435211326.db2.gz AHUQXDCNDUOTDV-UKRRQHHQSA-N 2 2 324.431 3.396 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000639304155 435235543 /nfs/dbraw/zinc/23/55/43/435235543.db2.gz YQDSEYVYXLWPQV-HOJAQTOUSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000639304155 435235544 /nfs/dbraw/zinc/23/55/44/435235544.db2.gz YQDSEYVYXLWPQV-HOJAQTOUSA-N 2 2 313.489 3.119 20 0 DGADLP Cc1scc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1C ZINC000639302856 435237289 /nfs/dbraw/zinc/23/72/89/435237289.db2.gz ONJFGAAAFRCLGL-QGZVFWFLSA-N 2 2 308.491 3.052 20 0 DGADLP Cc1scc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1C ZINC000639302856 435237292 /nfs/dbraw/zinc/23/72/92/435237292.db2.gz ONJFGAAAFRCLGL-QGZVFWFLSA-N 2 2 308.491 3.052 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)c(C)c1 ZINC000534109508 435266947 /nfs/dbraw/zinc/26/69/47/435266947.db2.gz COXZXNOQESFRCI-QGZVFWFLSA-N 2 2 312.461 3.229 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000639375012 435271668 /nfs/dbraw/zinc/27/16/68/435271668.db2.gz OSYVKZZUVHSSRR-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000639378578 435274763 /nfs/dbraw/zinc/27/47/63/435274763.db2.gz JANAIGVYXXNADT-UHFFFAOYSA-N 2 2 305.466 3.013 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534309396 435277061 /nfs/dbraw/zinc/27/70/61/435277061.db2.gz JEGHNKIARZLMPG-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534309396 435277066 /nfs/dbraw/zinc/27/70/66/435277066.db2.gz JEGHNKIARZLMPG-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534572704 435293931 /nfs/dbraw/zinc/29/39/31/435293931.db2.gz OQXIGWSNEGNKQD-STQMWFEESA-N 2 2 302.422 3.256 20 0 DGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534572704 435293936 /nfs/dbraw/zinc/29/39/36/435293936.db2.gz OQXIGWSNEGNKQD-STQMWFEESA-N 2 2 302.422 3.256 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000648429282 435297240 /nfs/dbraw/zinc/29/72/40/435297240.db2.gz KMMRZIWSZADENP-RTBURBONSA-N 2 2 320.452 3.337 20 0 DGADLP C[C@H](C[NH2+]Cc1cc2cc(Cl)cnc2o1)Cn1cc[nH+]c1 ZINC000648437310 435299102 /nfs/dbraw/zinc/29/91/02/435299102.db2.gz RBUHIRSXQDBNNI-LLVKDONJSA-N 2 2 304.781 3.104 20 0 DGADLP COc1ccc([C@H](CO)[N@H+](C)Cc2c(C)cc(C)[nH+]c2C)cc1 ZINC000639488043 435317657 /nfs/dbraw/zinc/31/76/57/435317657.db2.gz CAZVBFDWJBBQKO-IBGZPJMESA-N 2 2 314.429 3.181 20 0 DGADLP COc1ccc([C@H](CO)[N@@H+](C)Cc2c(C)cc(C)[nH+]c2C)cc1 ZINC000639488043 435317660 /nfs/dbraw/zinc/31/76/60/435317660.db2.gz CAZVBFDWJBBQKO-IBGZPJMESA-N 2 2 314.429 3.181 20 0 DGADLP CC(C)c1cc(N[C@H](C)C2=CC[N@H+](C)CC2)nc(C(C)C)[nH+]1 ZINC000511369915 435320974 /nfs/dbraw/zinc/32/09/74/435320974.db2.gz QECKTUQRCDNSJI-CQSZACIVSA-N 2 2 302.466 3.208 20 0 DGADLP CC(C)c1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc(C(C)C)[nH+]1 ZINC000511369915 435320976 /nfs/dbraw/zinc/32/09/76/435320976.db2.gz QECKTUQRCDNSJI-CQSZACIVSA-N 2 2 302.466 3.208 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000648498647 435322564 /nfs/dbraw/zinc/32/25/64/435322564.db2.gz FEWMTOXDODGNDR-CABCVRRESA-N 2 2 301.434 3.053 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OC ZINC000643427471 435323751 /nfs/dbraw/zinc/32/37/51/435323751.db2.gz IPAGNPJYEHAPDU-OAHLLOKOSA-N 2 2 318.461 3.200 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240764 435324937 /nfs/dbraw/zinc/32/49/37/435324937.db2.gz GMVXUADWZNDPRA-AEFFLSMTSA-N 2 2 322.880 3.274 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240764 435324946 /nfs/dbraw/zinc/32/49/46/435324946.db2.gz GMVXUADWZNDPRA-AEFFLSMTSA-N 2 2 322.880 3.274 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2Cc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000643453630 435328405 /nfs/dbraw/zinc/32/84/05/435328405.db2.gz NGZLGMLTSYZIFI-UIFIKXQLSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457587 435330908 /nfs/dbraw/zinc/33/09/08/435330908.db2.gz PANDZEBCMBRJMO-AEFFLSMTSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457587 435330912 /nfs/dbraw/zinc/33/09/12/435330912.db2.gz PANDZEBCMBRJMO-AEFFLSMTSA-N 3 2 324.472 3.057 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CCO2 ZINC000643482515 435334178 /nfs/dbraw/zinc/33/41/78/435334178.db2.gz VVTASEXZSBFPFJ-KBRIMQKVSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000643480692 435334918 /nfs/dbraw/zinc/33/49/18/435334918.db2.gz RLZZFHJMEFPOQH-ZLDLUXBVSA-N 2 2 310.388 3.299 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CCO2 ZINC000643482397 435335093 /nfs/dbraw/zinc/33/50/93/435335093.db2.gz GLAUPEAZDADUSZ-YVEFUNNKSA-N 2 2 313.401 3.067 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000643501027 435337135 /nfs/dbraw/zinc/33/71/35/435337135.db2.gz QCNVUSWQLZIBHF-HOCLYGCPSA-N 2 2 306.450 3.277 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000643502518 435338570 /nfs/dbraw/zinc/33/85/70/435338570.db2.gz IYPNARZLDMYBLE-SZMVWBNQSA-N 2 2 322.880 3.162 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643501937 435338659 /nfs/dbraw/zinc/33/86/59/435338659.db2.gz UBVDRPHIIKJJRR-HUUCEWRRSA-N 2 2 316.367 3.125 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643501938 435339315 /nfs/dbraw/zinc/33/93/15/435339315.db2.gz UBVDRPHIIKJJRR-LSDHHAIUSA-N 2 2 316.367 3.125 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Br)c(F)c1 ZINC000643501552 435339958 /nfs/dbraw/zinc/33/99/58/435339958.db2.gz KIFHPKBLWUQKHE-ZYHUDNBSSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000643525009 435344685 /nfs/dbraw/zinc/34/46/85/435344685.db2.gz IVSGQHQXZFOCDN-QRWLVFNGSA-N 3 2 311.473 3.160 20 0 DGADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1F ZINC000643537827 435345681 /nfs/dbraw/zinc/34/56/81/435345681.db2.gz RSVAIOLVGYBYOT-MPTYRVRUSA-N 2 2 324.415 3.150 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1nc2c(s1)CCCC2 ZINC000643547255 435349360 /nfs/dbraw/zinc/34/93/60/435349360.db2.gz BWFIHMFIXGSTBC-OLZOCXBDSA-N 2 2 305.491 3.347 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000643538595 435349373 /nfs/dbraw/zinc/34/93/73/435349373.db2.gz OOLWKKQOUZFXNQ-SGMGOOAPSA-N 2 2 320.330 3.326 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639590818 435357894 /nfs/dbraw/zinc/35/78/94/435357894.db2.gz KMNBWNXUYJSFQP-SFHVURJKSA-N 2 2 313.445 3.033 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639590818 435357900 /nfs/dbraw/zinc/35/79/00/435357900.db2.gz KMNBWNXUYJSFQP-SFHVURJKSA-N 2 2 313.445 3.033 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000480010664 435360876 /nfs/dbraw/zinc/36/08/76/435360876.db2.gz DXSQGKPYDCCCNH-LSBZLQRGSA-N 2 2 320.452 3.005 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000480010664 435360880 /nfs/dbraw/zinc/36/08/80/435360880.db2.gz DXSQGKPYDCCCNH-LSBZLQRGSA-N 2 2 320.452 3.005 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000480035972 435362740 /nfs/dbraw/zinc/36/27/40/435362740.db2.gz GIQNQGIRMVKQOX-LSDHHAIUSA-N 2 2 310.507 3.318 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000536837815 435412821 /nfs/dbraw/zinc/41/28/21/435412821.db2.gz IDNWTLXHIBPNTI-SFNKJDCFSA-N 2 2 302.462 3.225 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000536837815 435412825 /nfs/dbraw/zinc/41/28/25/435412825.db2.gz IDNWTLXHIBPNTI-SFNKJDCFSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841068 435413203 /nfs/dbraw/zinc/41/32/03/435413203.db2.gz SQNKAVVYJLSPGR-FFZOFVMBSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841068 435413209 /nfs/dbraw/zinc/41/32/09/435413209.db2.gz SQNKAVVYJLSPGR-FFZOFVMBSA-N 2 2 316.489 3.180 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC000648787693 435422128 /nfs/dbraw/zinc/42/21/28/435422128.db2.gz WROAINFTMSOQRD-KRWDZBQOSA-N 2 2 302.462 3.056 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC000648787693 435422134 /nfs/dbraw/zinc/42/21/34/435422134.db2.gz WROAINFTMSOQRD-KRWDZBQOSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480238574 435371147 /nfs/dbraw/zinc/37/11/47/435371147.db2.gz DQMKQEQKOWAQAX-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480238574 435371151 /nfs/dbraw/zinc/37/11/51/435371151.db2.gz DQMKQEQKOWAQAX-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000567981170 435377623 /nfs/dbraw/zinc/37/76/23/435377623.db2.gz RAVGENWOZYEENP-IRXDYDNUSA-N 2 2 308.853 3.071 20 0 DGADLP CCc1ccc([C@H](C[NH2+]CC2(OC)CCCC2)[NH+](C)C)cc1 ZINC000480661611 435388801 /nfs/dbraw/zinc/38/88/01/435388801.db2.gz KPWIBPJOOYCORE-SFHVURJKSA-N 2 2 304.478 3.401 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000480754307 435392830 /nfs/dbraw/zinc/39/28/30/435392830.db2.gz DHJIRVOLIMMTDS-SLFFLAALSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000480754307 435392834 /nfs/dbraw/zinc/39/28/34/435392834.db2.gz DHJIRVOLIMMTDS-SLFFLAALSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[NH+]1CCCC1 ZINC000481911143 435447451 /nfs/dbraw/zinc/44/74/51/435447451.db2.gz DIEXSUMESOZYCJ-CYBMUJFWSA-N 2 2 300.368 3.322 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2)n1 ZINC000568659531 435458097 /nfs/dbraw/zinc/45/80/97/435458097.db2.gz CHKMLADTHZFKTI-AZUAARDMSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3[C@@H]4CC[C@H]3CC[N@H+](C)C4)cc2)n1 ZINC000568659531 435458101 /nfs/dbraw/zinc/45/81/01/435458101.db2.gz CHKMLADTHZFKTI-AZUAARDMSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)cc2)n1 ZINC000568659531 435458107 /nfs/dbraw/zinc/45/81/07/435458107.db2.gz CHKMLADTHZFKTI-AZUAARDMSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)cc2)n1 ZINC000568659531 435458112 /nfs/dbraw/zinc/45/81/12/435458112.db2.gz CHKMLADTHZFKTI-AZUAARDMSA-N 2 2 324.472 3.158 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000482352548 435462938 /nfs/dbraw/zinc/46/29/38/435462938.db2.gz PKBCRCOORJJFKT-NEWSRXKRSA-N 2 2 304.478 3.473 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000482352548 435462943 /nfs/dbraw/zinc/46/29/43/435462943.db2.gz PKBCRCOORJJFKT-NEWSRXKRSA-N 2 2 304.478 3.473 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000648815998 435429933 /nfs/dbraw/zinc/42/99/33/435429933.db2.gz JNTWCJVPPSZAJH-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000648815998 435429938 /nfs/dbraw/zinc/42/99/38/435429938.db2.gz JNTWCJVPPSZAJH-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000640129430 435523422 /nfs/dbraw/zinc/52/34/22/435523422.db2.gz ZPKXUUIDQQHMDB-GOEBONIOSA-N 2 2 318.465 3.283 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000539057622 435535703 /nfs/dbraw/zinc/53/57/03/435535703.db2.gz CVCALZSBXFIOHB-FHLIZLRMSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000539057622 435535707 /nfs/dbraw/zinc/53/57/07/435535707.db2.gz CVCALZSBXFIOHB-FHLIZLRMSA-N 2 2 316.493 3.420 20 0 DGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988732 435483361 /nfs/dbraw/zinc/48/33/61/435483361.db2.gz XPIGMXCJZBKEAM-INIZCTEOSA-N 2 2 323.525 3.020 20 0 DGADLP Clc1cccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000515497995 435488580 /nfs/dbraw/zinc/48/85/80/435488580.db2.gz DSOJLSHRJIJPCP-GOSISDBHSA-N 2 2 322.880 3.069 20 0 DGADLP Clc1cccc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000515497995 435488582 /nfs/dbraw/zinc/48/85/82/435488582.db2.gz DSOJLSHRJIJPCP-GOSISDBHSA-N 2 2 322.880 3.069 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000483203900 435502046 /nfs/dbraw/zinc/50/20/46/435502046.db2.gz WLZSYWKQNBWWOY-GOSISDBHSA-N 2 2 324.468 3.302 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000483203900 435502051 /nfs/dbraw/zinc/50/20/51/435502051.db2.gz WLZSYWKQNBWWOY-GOSISDBHSA-N 2 2 324.468 3.302 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C2CCCC2)o1 ZINC000539393942 435550057 /nfs/dbraw/zinc/55/00/57/435550057.db2.gz KEGOYAOUCBRFEE-DNVCBOLYSA-N 2 2 320.477 3.377 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204337 435591823 /nfs/dbraw/zinc/59/18/23/435591823.db2.gz DBIGXZRRRHQCLM-ZWKOTPCHSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204337 435591825 /nfs/dbraw/zinc/59/18/25/435591825.db2.gz DBIGXZRRRHQCLM-ZWKOTPCHSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000516914374 435560346 /nfs/dbraw/zinc/56/03/46/435560346.db2.gz XTDOACNFBDMISQ-UHFFFAOYSA-N 2 2 306.425 3.331 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569794055 435560751 /nfs/dbraw/zinc/56/07/51/435560751.db2.gz YRESNYSCLQXUIO-OLMMMNRUSA-N 2 2 317.477 3.153 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143888 435592178 /nfs/dbraw/zinc/59/21/78/435592178.db2.gz WQSMJSOLBBKTKZ-JTDSTZFVSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143888 435592182 /nfs/dbraw/zinc/59/21/82/435592182.db2.gz WQSMJSOLBBKTKZ-JTDSTZFVSA-N 2 2 320.452 3.225 20 0 DGADLP CCCn1c2ccccc2[nH+]c1NCc1c(C)[nH+]c2ccccn21 ZINC000539709764 435564767 /nfs/dbraw/zinc/56/47/67/435564767.db2.gz REUAFKFVDJDEBU-UHFFFAOYSA-N 2 2 319.412 3.436 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000569846227 435567686 /nfs/dbraw/zinc/56/76/86/435567686.db2.gz GALKEDPLCTZBMF-AEFFLSMTSA-N 2 2 304.478 3.474 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000569846227 435567689 /nfs/dbraw/zinc/56/76/89/435567689.db2.gz GALKEDPLCTZBMF-AEFFLSMTSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CC3 ZINC000539812659 435570622 /nfs/dbraw/zinc/57/06/22/435570622.db2.gz ASSQTNVACKEOPX-CVEARBPZSA-N 2 2 311.473 3.265 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CC3 ZINC000539812659 435570624 /nfs/dbraw/zinc/57/06/24/435570624.db2.gz ASSQTNVACKEOPX-CVEARBPZSA-N 2 2 311.473 3.265 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CC3 ZINC000539812665 435570643 /nfs/dbraw/zinc/57/06/43/435570643.db2.gz ASSQTNVACKEOPX-HOTGVXAUSA-N 2 2 311.473 3.265 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CC3 ZINC000539812665 435570645 /nfs/dbraw/zinc/57/06/45/435570645.db2.gz ASSQTNVACKEOPX-HOTGVXAUSA-N 2 2 311.473 3.265 20 0 DGADLP Fc1cc(Cl)cc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000485710797 435575133 /nfs/dbraw/zinc/57/51/33/435575133.db2.gz NHRZAFYVRKWQKN-UHFFFAOYSA-N 2 2 303.768 3.459 20 0 DGADLP COc1ccc(F)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000645150578 435578347 /nfs/dbraw/zinc/57/83/47/435578347.db2.gz DLJONHTXENVYKM-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569972372 435578451 /nfs/dbraw/zinc/57/84/51/435578451.db2.gz ZOZZPODQGLOFLS-QWHCGFSZSA-N 2 2 313.272 3.467 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569972372 435578455 /nfs/dbraw/zinc/57/84/55/435578455.db2.gz ZOZZPODQGLOFLS-QWHCGFSZSA-N 2 2 313.272 3.467 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000649413685 435580907 /nfs/dbraw/zinc/58/09/07/435580907.db2.gz ZJHIMQCICYQGEK-MAUKXSAKSA-N 2 2 312.461 3.364 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000649413685 435580910 /nfs/dbraw/zinc/58/09/10/435580910.db2.gz ZJHIMQCICYQGEK-MAUKXSAKSA-N 2 2 312.461 3.364 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000517234072 435584690 /nfs/dbraw/zinc/58/46/90/435584690.db2.gz QNRFJYRBRMFYPF-SFHVURJKSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000517234072 435584693 /nfs/dbraw/zinc/58/46/93/435584693.db2.gz QNRFJYRBRMFYPF-SFHVURJKSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000517234071 435584731 /nfs/dbraw/zinc/58/47/31/435584731.db2.gz QNRFJYRBRMFYPF-GOSISDBHSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000517234071 435584736 /nfs/dbraw/zinc/58/47/36/435584736.db2.gz QNRFJYRBRMFYPF-GOSISDBHSA-N 2 2 304.397 3.257 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000484130054 435540815 /nfs/dbraw/zinc/54/08/15/435540815.db2.gz DHUUUMILWKRMDI-QUCCMNQESA-N 2 2 318.505 3.202 20 0 DGADLP Cc1ccccc1[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@H](C)CO1 ZINC000517755362 435609369 /nfs/dbraw/zinc/60/93/69/435609369.db2.gz VJTZBEXJYCWMIW-VQIMIIECSA-N 2 2 313.445 3.123 20 0 DGADLP Cc1ccccc1[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)CO1 ZINC000517755362 435609375 /nfs/dbraw/zinc/60/93/75/435609375.db2.gz VJTZBEXJYCWMIW-VQIMIIECSA-N 2 2 313.445 3.123 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000570460930 435622979 /nfs/dbraw/zinc/62/29/79/435622979.db2.gz JFVVRSZAIDHNAR-AWEZNQCLSA-N 2 2 310.869 3.226 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000570579100 435632697 /nfs/dbraw/zinc/63/26/97/435632697.db2.gz BENWXCAJNCZVKU-ZDUSSCGKSA-N 2 2 305.809 3.072 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000540259364 435596388 /nfs/dbraw/zinc/59/63/88/435596388.db2.gz RCAREMNYZMBAEC-SCTDSRPQSA-N 2 2 304.478 3.473 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000540259364 435596391 /nfs/dbraw/zinc/59/63/91/435596391.db2.gz RCAREMNYZMBAEC-SCTDSRPQSA-N 2 2 304.478 3.473 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)[nH]1 ZINC000570667602 435641214 /nfs/dbraw/zinc/64/12/14/435641214.db2.gz ATCRPYFLOVFARD-GDBMZVCRSA-N 2 2 319.497 3.061 20 0 DGADLP CC(C)c1nc(N2CC[C@]3(C2)CCC[NH2+]C3)cc(C(C)(C)C)[nH+]1 ZINC000519123041 435669173 /nfs/dbraw/zinc/66/91/73/435669173.db2.gz QBFFOTFROQCPMZ-LJQANCHMSA-N 2 2 316.493 3.477 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000571135168 435680246 /nfs/dbraw/zinc/68/02/46/435680246.db2.gz RTTUSPYMNHAXMG-RFXPCRSYSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000571135168 435680252 /nfs/dbraw/zinc/68/02/52/435680252.db2.gz RTTUSPYMNHAXMG-RFXPCRSYSA-N 2 2 302.462 3.195 20 0 DGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641113249 435693169 /nfs/dbraw/zinc/69/31/69/435693169.db2.gz YKIKNTBFOIVHSQ-UHFFFAOYSA-N 2 2 313.449 3.003 20 0 DGADLP COC(=O)CC1([NH2+]CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000548518743 435701579 /nfs/dbraw/zinc/70/15/79/435701579.db2.gz OPKFCXWTDLKUJC-UHFFFAOYSA-N 2 2 304.434 3.178 20 0 DGADLP C[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000645837216 435701780 /nfs/dbraw/zinc/70/17/80/435701780.db2.gz LHKRKWRUMQEKCJ-CXAGYDPISA-N 2 2 305.372 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000645837216 435701782 /nfs/dbraw/zinc/70/17/82/435701782.db2.gz LHKRKWRUMQEKCJ-CXAGYDPISA-N 2 2 305.372 3.287 20 0 DGADLP C[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000645837217 435703586 /nfs/dbraw/zinc/70/35/86/435703586.db2.gz LHKRKWRUMQEKCJ-DYVFJYSZSA-N 2 2 305.372 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000645837217 435703590 /nfs/dbraw/zinc/70/35/90/435703590.db2.gz LHKRKWRUMQEKCJ-DYVFJYSZSA-N 2 2 305.372 3.287 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655738556 435762600 /nfs/dbraw/zinc/76/26/00/435762600.db2.gz XRHBPBOURCJHGT-AZUAARDMSA-N 2 2 314.473 3.215 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@H](C)CCO ZINC000649871146 435728405 /nfs/dbraw/zinc/72/84/05/435728405.db2.gz SYTSRIUSPAYTBF-OAHLLOKOSA-N 2 2 303.450 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@H](C)CCO ZINC000649871146 435728409 /nfs/dbraw/zinc/72/84/09/435728409.db2.gz SYTSRIUSPAYTBF-OAHLLOKOSA-N 2 2 303.450 3.218 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655698922 435732035 /nfs/dbraw/zinc/73/20/35/435732035.db2.gz YXIQRNPQAAJCJS-OALUTQOASA-N 2 2 320.452 3.366 20 0 DGADLP C1C[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CO1 ZINC000655698797 435732355 /nfs/dbraw/zinc/73/23/55/435732355.db2.gz WAIVHLBLEKDPIH-ISARSNTHSA-N 2 2 306.494 3.188 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2F)CC1 ZINC000660415828 435733744 /nfs/dbraw/zinc/73/37/44/435733744.db2.gz JLXTWTFNJVHMRZ-CQSZACIVSA-N 2 2 314.445 3.473 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2F)CC1 ZINC000660415828 435733749 /nfs/dbraw/zinc/73/37/49/435733749.db2.gz JLXTWTFNJVHMRZ-CQSZACIVSA-N 2 2 314.445 3.473 20 0 DGADLP C[N@@H+]1CCC[C@@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1cccs1 ZINC000641394299 435734475 /nfs/dbraw/zinc/73/44/75/435734475.db2.gz LNLVETUQGNAGCV-WMLDXEAASA-N 2 2 317.458 3.130 20 0 DGADLP C[N@H+]1CCC[C@@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1cccs1 ZINC000641394299 435734481 /nfs/dbraw/zinc/73/44/81/435734481.db2.gz LNLVETUQGNAGCV-WMLDXEAASA-N 2 2 317.458 3.130 20 0 DGADLP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655702000 435736949 /nfs/dbraw/zinc/73/69/49/435736949.db2.gz MVRUODMLGPQVEU-KDOFPFPSSA-N 2 2 320.864 3.170 20 0 DGADLP Cc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccc(C)cn2)nc1 ZINC000649902649 435740660 /nfs/dbraw/zinc/74/06/60/435740660.db2.gz FBXFIMYBFPHVAZ-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP Cc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccc(C)cn2)nc1 ZINC000649902649 435740671 /nfs/dbraw/zinc/74/06/71/435740671.db2.gz FBXFIMYBFPHVAZ-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP Cc1nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)o1 ZINC000660430685 435741305 /nfs/dbraw/zinc/74/13/05/435741305.db2.gz OXTTVGPKGIVIAN-UHFFFAOYSA-N 2 2 301.390 3.038 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000655715466 435742123 /nfs/dbraw/zinc/74/21/23/435742123.db2.gz KRCAPFXIEHXCKB-UHFFFAOYSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000655710638 435743033 /nfs/dbraw/zinc/74/30/33/435743033.db2.gz BEASTNNKKVTOTD-UYAOXDASSA-N 2 2 314.473 3.289 20 0 DGADLP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655710730 435743738 /nfs/dbraw/zinc/74/37/38/435743738.db2.gz DOGLFNQSIKIQAB-YLJYHZDGSA-N 2 2 316.489 3.077 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655712010 435743884 /nfs/dbraw/zinc/74/38/84/435743884.db2.gz LDJJJEWEGDAITI-VQIMIIECSA-N 2 2 302.462 3.207 20 0 DGADLP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655710728 435745016 /nfs/dbraw/zinc/74/50/16/435745016.db2.gz DOGLFNQSIKIQAB-PXNSSMCTSA-N 2 2 316.489 3.077 20 0 DGADLP Cc1cc(C)cc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655729347 435753984 /nfs/dbraw/zinc/75/39/84/435753984.db2.gz KDXMKBAOZCYCHW-FXAWDEMLSA-N 2 2 316.489 3.077 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3conc3Cc3ccccc3)C2)c[nH+]1 ZINC000646071517 435761479 /nfs/dbraw/zinc/76/14/79/435761479.db2.gz HYUBDVVFJDRPPF-SFHVURJKSA-N 2 2 322.412 3.299 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3conc3Cc3ccccc3)C2)c[nH+]1 ZINC000646071517 435761487 /nfs/dbraw/zinc/76/14/87/435761487.db2.gz HYUBDVVFJDRPPF-SFHVURJKSA-N 2 2 322.412 3.299 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3conc3Cc3ccccc3)C2)c[nH+]1 ZINC000646071516 435761774 /nfs/dbraw/zinc/76/17/74/435761774.db2.gz HYUBDVVFJDRPPF-GOSISDBHSA-N 2 2 322.412 3.299 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3conc3Cc3ccccc3)C2)c[nH+]1 ZINC000646071516 435761782 /nfs/dbraw/zinc/76/17/82/435761782.db2.gz HYUBDVVFJDRPPF-GOSISDBHSA-N 2 2 322.412 3.299 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000649793819 435705622 /nfs/dbraw/zinc/70/56/22/435705622.db2.gz SXBCGPLIROYPMU-QGZVFWFLSA-N 2 2 313.445 3.068 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000649793819 435705627 /nfs/dbraw/zinc/70/56/27/435705627.db2.gz SXBCGPLIROYPMU-QGZVFWFLSA-N 2 2 313.445 3.068 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000649794257 435707351 /nfs/dbraw/zinc/70/73/51/435707351.db2.gz FJINEVVGAYLFAH-INIZCTEOSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000649794257 435707353 /nfs/dbraw/zinc/70/73/53/435707353.db2.gz FJINEVVGAYLFAH-INIZCTEOSA-N 2 2 301.409 3.199 20 0 DGADLP C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000649810649 435710946 /nfs/dbraw/zinc/71/09/46/435710946.db2.gz UBHXYYUEOPIBHI-CYBMUJFWSA-N 2 2 324.428 3.326 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000641261807 435722504 /nfs/dbraw/zinc/72/25/04/435722504.db2.gz UXIHQBNGDPLKIN-UHFFFAOYSA-N 2 2 310.445 3.096 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000651677487 435787392 /nfs/dbraw/zinc/78/73/92/435787392.db2.gz JSHWBQZVWWWYTG-MRXNPFEDSA-N 2 2 305.466 3.091 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C2CC2)c1 ZINC000655771589 435788330 /nfs/dbraw/zinc/78/83/30/435788330.db2.gz NEXCWFOXYQNWDY-QRWLVFNGSA-N 2 2 314.473 3.468 20 0 DGADLP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c(-c2ccccc2)n1 ZINC000641703436 435793364 /nfs/dbraw/zinc/79/33/64/435793364.db2.gz SIBBPYNVDMRUFB-GOSISDBHSA-N 2 2 312.461 3.144 20 0 DGADLP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c(-c2ccccc2)n1 ZINC000641703436 435793372 /nfs/dbraw/zinc/79/33/72/435793372.db2.gz SIBBPYNVDMRUFB-GOSISDBHSA-N 2 2 312.461 3.144 20 0 DGADLP C1CC([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCC2)C1 ZINC000655779956 435794562 /nfs/dbraw/zinc/79/45/62/435794562.db2.gz VBMULNGCFNPSFJ-OALUTQOASA-N 2 2 306.494 3.188 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000550143632 435795608 /nfs/dbraw/zinc/79/56/08/435795608.db2.gz ARDYDVKCIXVCMF-KZNAEPCWSA-N 2 2 324.509 3.353 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000550143632 435795616 /nfs/dbraw/zinc/79/56/16/435795616.db2.gz ARDYDVKCIXVCMF-KZNAEPCWSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000550255912 435797815 /nfs/dbraw/zinc/79/78/15/435797815.db2.gz YUZSRVLOAOXRPU-POAQFYNOSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000550255912 435797821 /nfs/dbraw/zinc/79/78/21/435797821.db2.gz YUZSRVLOAOXRPU-POAQFYNOSA-N 2 2 316.489 3.038 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000550199809 435798022 /nfs/dbraw/zinc/79/80/22/435798022.db2.gz NJVNDEXDDWQQHS-ROUUACIJSA-N 2 2 322.493 3.130 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000550199809 435798027 /nfs/dbraw/zinc/79/80/27/435798027.db2.gz NJVNDEXDDWQQHS-ROUUACIJSA-N 2 2 322.493 3.130 20 0 DGADLP Cc1ccccc1C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655792900 435800237 /nfs/dbraw/zinc/80/02/37/435800237.db2.gz SLXRXUYULIEWFV-SFHVURJKSA-N 2 2 314.473 3.217 20 0 DGADLP Fc1ccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655742624 435764047 /nfs/dbraw/zinc/76/40/47/435764047.db2.gz AQXYTIXYRZVPPU-SFHVURJKSA-N 2 2 318.436 3.048 20 0 DGADLP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474616 435765087 /nfs/dbraw/zinc/76/50/87/435765087.db2.gz KLBMFSMYXHOFJI-INIZCTEOSA-N 2 2 322.880 3.335 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1 ZINC000571994394 435765575 /nfs/dbraw/zinc/76/55/75/435765575.db2.gz PTVZUPOZESFDQQ-GXTWGEPZSA-N 2 2 318.383 3.019 20 0 DGADLP Fc1ccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655742722 435766059 /nfs/dbraw/zinc/76/60/59/435766059.db2.gz WGJBAZANYDVUAV-SFHVURJKSA-N 2 2 318.436 3.048 20 0 DGADLP CSc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480572 435768696 /nfs/dbraw/zinc/76/86/96/435768696.db2.gz VBGVEUADHYOKDA-KRWDZBQOSA-N 2 2 320.502 3.095 20 0 DGADLP CSc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660480572 435768708 /nfs/dbraw/zinc/76/87/08/435768708.db2.gz VBGVEUADHYOKDA-KRWDZBQOSA-N 2 2 320.502 3.095 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651670633 435784110 /nfs/dbraw/zinc/78/41/10/435784110.db2.gz PPZACFRHZVIESM-UHFFFAOYSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)ccc2n1C ZINC000646125247 435785449 /nfs/dbraw/zinc/78/54/49/435785449.db2.gz ATSMEGSJTFZENP-MRXNPFEDSA-N 2 2 322.412 3.300 20 0 DGADLP Cc1cnc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(C)c1 ZINC000655830498 435828321 /nfs/dbraw/zinc/82/83/21/435828321.db2.gz XKLHRYDYWCMYPM-UHFFFAOYSA-N 2 2 312.442 3.278 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000641821617 435833514 /nfs/dbraw/zinc/83/35/14/435833514.db2.gz MOISLXARCJHWSI-UHFFFAOYSA-N 2 2 311.429 3.353 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000641821617 435833520 /nfs/dbraw/zinc/83/35/20/435833520.db2.gz MOISLXARCJHWSI-UHFFFAOYSA-N 2 2 311.429 3.353 20 0 DGADLP CC(C)[N@H+](CC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551387056 435834898 /nfs/dbraw/zinc/83/48/98/435834898.db2.gz NIISTXAJQTWQMT-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[N@@H+](CC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551387056 435834905 /nfs/dbraw/zinc/83/49/05/435834905.db2.gz NIISTXAJQTWQMT-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[NH+](CC1CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551387056 435834909 /nfs/dbraw/zinc/83/49/09/435834909.db2.gz NIISTXAJQTWQMT-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[NH+](CC1CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551387056 435834914 /nfs/dbraw/zinc/83/49/14/435834914.db2.gz NIISTXAJQTWQMT-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCCCO1 ZINC000655846318 435835730 /nfs/dbraw/zinc/83/57/30/435835730.db2.gz FQUIKLHXEWCWPU-GJZGRUSLSA-N 2 2 322.415 3.341 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCCCO1 ZINC000655846320 435836615 /nfs/dbraw/zinc/83/66/15/435836615.db2.gz FQUIKLHXEWCWPU-LSDHHAIUSA-N 2 2 322.415 3.341 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000655848126 435839305 /nfs/dbraw/zinc/83/93/05/435839305.db2.gz BWSCKBWNTVTLBV-UHOSZYNNSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000655848126 435839310 /nfs/dbraw/zinc/83/93/10/435839310.db2.gz BWSCKBWNTVTLBV-UHOSZYNNSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000572879519 435878173 /nfs/dbraw/zinc/87/81/73/435878173.db2.gz LFQDJFXMOOQNTH-AZUAARDMSA-N 2 2 322.452 3.404 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000572879519 435878177 /nfs/dbraw/zinc/87/81/77/435878177.db2.gz LFQDJFXMOOQNTH-AZUAARDMSA-N 2 2 322.452 3.404 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655854916 435845078 /nfs/dbraw/zinc/84/50/78/435845078.db2.gz ADVIUBHWYDSZIW-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000655854916 435845084 /nfs/dbraw/zinc/84/50/84/435845084.db2.gz ADVIUBHWYDSZIW-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP C[NH+](Cc1ccccn1)CC1(C[N@H+](C)Cc2ccccn2)CCC1 ZINC000660680293 435858423 /nfs/dbraw/zinc/85/84/23/435858423.db2.gz ULBAZKXSDLSJIV-UHFFFAOYSA-N 2 2 324.472 3.211 20 0 DGADLP C[NH+](Cc1ccccn1)CC1(C[N@@H+](C)Cc2ccccn2)CCC1 ZINC000660680293 435858430 /nfs/dbraw/zinc/85/84/30/435858430.db2.gz ULBAZKXSDLSJIV-UHFFFAOYSA-N 2 2 324.472 3.211 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910336 435860514 /nfs/dbraw/zinc/86/05/14/435860514.db2.gz PUYNKTWUTCAAOT-HKUYNNGSSA-N 3 2 307.526 3.248 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910336 435860521 /nfs/dbraw/zinc/86/05/21/435860521.db2.gz PUYNKTWUTCAAOT-HKUYNNGSSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910336 435860526 /nfs/dbraw/zinc/86/05/26/435860526.db2.gz PUYNKTWUTCAAOT-HKUYNNGSSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910336 435860536 /nfs/dbraw/zinc/86/05/36/435860536.db2.gz PUYNKTWUTCAAOT-HKUYNNGSSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@H](CC[NH+](C)C)Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642105172 435860946 /nfs/dbraw/zinc/86/09/46/435860946.db2.gz QOSVGHBJVRWXJN-SNVBAGLBSA-N 2 2 301.369 3.002 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000651908713 435862662 /nfs/dbraw/zinc/86/26/62/435862662.db2.gz LZDSVWMOKQMLFH-MNEFBYGVSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000651908713 435862669 /nfs/dbraw/zinc/86/26/69/435862669.db2.gz LZDSVWMOKQMLFH-MNEFBYGVSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1cc[nH+]cc1Cc1noc([C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000664985166 435863806 /nfs/dbraw/zinc/86/38/06/435863806.db2.gz QQLHHVWNHXRCOX-HZSPNIEDSA-N 2 2 300.406 3.298 20 0 DGADLP Cc1cc[nH+]cc1Cc1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000664985166 435863809 /nfs/dbraw/zinc/86/38/09/435863809.db2.gz QQLHHVWNHXRCOX-HZSPNIEDSA-N 2 2 300.406 3.298 20 0 DGADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000651911472 435866716 /nfs/dbraw/zinc/86/67/16/435866716.db2.gz ACTKYXOEVVITML-MAUKXSAKSA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@H](C[NH2+]Cc1ccc(O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000642196081 435871032 /nfs/dbraw/zinc/87/10/32/435871032.db2.gz UATLWCDNSMPTHX-LJQANCHMSA-N 2 2 310.441 3.319 20 0 DGADLP CC[C@H](C[NH2+]Cc1ccc(O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000642196081 435871038 /nfs/dbraw/zinc/87/10/38/435871038.db2.gz UATLWCDNSMPTHX-LJQANCHMSA-N 2 2 310.441 3.319 20 0 DGADLP c1ccc2c(C[NH2+]C3CC[NH+](CC4CC4)CC3)nsc2c1 ZINC000641792530 435826184 /nfs/dbraw/zinc/82/61/84/435826184.db2.gz UKXHTVDWEVDJCL-UHFFFAOYSA-N 2 2 301.459 3.260 20 0 DGADLP CC(C)(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000656281398 435935675 /nfs/dbraw/zinc/93/56/75/435935675.db2.gz WTFIGGAURAOATD-IBGZPJMESA-N 2 2 316.489 3.151 20 0 DGADLP CC(C)(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000656281398 435935682 /nfs/dbraw/zinc/93/56/82/435935682.db2.gz WTFIGGAURAOATD-IBGZPJMESA-N 2 2 316.489 3.151 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665278346 435935720 /nfs/dbraw/zinc/93/57/20/435935720.db2.gz BPWCDGBOYJSEJR-WHDUELSGSA-N 2 2 300.446 3.268 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC2(CO)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000652036877 435893682 /nfs/dbraw/zinc/89/36/82/435893682.db2.gz YZBGWNNTYDFVQI-SFHVURJKSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC2(CO)CCC2)C[N@H+]1Cc1ccccc1 ZINC000652036877 435893684 /nfs/dbraw/zinc/89/36/84/435893684.db2.gz YZBGWNNTYDFVQI-SFHVURJKSA-N 2 2 316.489 3.182 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000665277847 435936058 /nfs/dbraw/zinc/93/60/58/435936058.db2.gz NLNMDAYWLAIGKM-LTCLLZNKSA-N 2 2 300.446 3.365 20 0 DGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000552572073 435905644 /nfs/dbraw/zinc/90/56/44/435905644.db2.gz YNTHTVFBDMROEF-BRWVUGGUSA-N 2 2 315.461 3.182 20 0 DGADLP Cc1cnc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000660854381 435908494 /nfs/dbraw/zinc/90/84/94/435908494.db2.gz VSTZUMWRROBDLZ-UHFFFAOYSA-N 2 2 310.401 3.314 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](CC[C@@H]4CCCO4)CC3)[nH]c2c1 ZINC000660857392 435908940 /nfs/dbraw/zinc/90/89/40/435908940.db2.gz MXIDZBIWWRHZEH-INIZCTEOSA-N 2 2 313.445 3.387 20 0 DGADLP Cc1cnn(CC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000660853581 435909259 /nfs/dbraw/zinc/90/92/59/435909259.db2.gz BXBJCVMRFSZYPU-UHFFFAOYSA-N 2 2 323.444 3.023 20 0 DGADLP CO[C@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)C1CC1 ZINC000660857870 435911875 /nfs/dbraw/zinc/91/18/75/435911875.db2.gz XMTZVTKARZBJPF-GOSISDBHSA-N 2 2 313.445 3.242 20 0 DGADLP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000656280975 435936547 /nfs/dbraw/zinc/93/65/47/435936547.db2.gz GYPXHOCIJPQHSC-IBGZPJMESA-N 2 2 314.473 3.251 20 0 DGADLP c1ccc(C2CC2)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000656280975 435936550 /nfs/dbraw/zinc/93/65/50/435936550.db2.gz GYPXHOCIJPQHSC-IBGZPJMESA-N 2 2 314.473 3.251 20 0 DGADLP CC(C)C[N@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000652222019 435926361 /nfs/dbraw/zinc/92/63/61/435926361.db2.gz CQGMNZDKMNMBTI-KRWDZBQOSA-N 2 2 318.440 3.206 20 0 DGADLP CC(C)C[N@@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000652222019 435926364 /nfs/dbraw/zinc/92/63/64/435926364.db2.gz CQGMNZDKMNMBTI-KRWDZBQOSA-N 2 2 318.440 3.206 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000652222090 435927026 /nfs/dbraw/zinc/92/70/26/435927026.db2.gz FGVINICWRHUECG-IBGZPJMESA-N 2 2 312.461 3.134 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000652222090 435927032 /nfs/dbraw/zinc/92/70/32/435927032.db2.gz FGVINICWRHUECG-IBGZPJMESA-N 2 2 312.461 3.134 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000656260757 435929304 /nfs/dbraw/zinc/92/93/04/435929304.db2.gz VYZACCPMNPPRKB-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000656260757 435929307 /nfs/dbraw/zinc/92/93/07/435929307.db2.gz VYZACCPMNPPRKB-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656260757 435929310 /nfs/dbraw/zinc/92/93/10/435929310.db2.gz VYZACCPMNPPRKB-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656260757 435929313 /nfs/dbraw/zinc/92/93/13/435929313.db2.gz VYZACCPMNPPRKB-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254047 435930696 /nfs/dbraw/zinc/93/06/96/435930696.db2.gz GUBVDPXEBMRNMC-POZUXBRTSA-N 2 2 313.420 3.325 20 0 DGADLP CCCC[C@@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254119 435931070 /nfs/dbraw/zinc/93/10/70/435931070.db2.gz IDYDPZFUTZXBBV-RCCFBDPRSA-N 2 2 308.441 3.066 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(C)n1 ZINC000665251575 435931202 /nfs/dbraw/zinc/93/12/02/435931202.db2.gz SXQIOCKPQMCXHA-PWIZWCRZSA-N 2 2 309.457 3.495 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncc(F)c1 ZINC000665257844 435933452 /nfs/dbraw/zinc/93/34/52/435933452.db2.gz WIVMZJDTGSLMAJ-JBBXEZCESA-N 2 2 317.383 3.156 20 0 DGADLP CSc1ccc[nH+]c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000651971023 435880919 /nfs/dbraw/zinc/88/09/19/435880919.db2.gz SDRCJMJRLYBXCZ-UHFFFAOYSA-N 2 2 317.458 3.356 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)no1 ZINC000647175330 435963946 /nfs/dbraw/zinc/96/39/46/435963946.db2.gz JZISPZOUGFBBHD-QGZVFWFLSA-N 2 2 311.429 3.270 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)no1 ZINC000647175330 435963949 /nfs/dbraw/zinc/96/39/49/435963949.db2.gz JZISPZOUGFBBHD-QGZVFWFLSA-N 2 2 311.429 3.270 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229057 435981230 /nfs/dbraw/zinc/98/12/30/435981230.db2.gz JYAYUBJYQWUTCZ-AEDCBLDQSA-N 2 2 317.864 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229057 435981233 /nfs/dbraw/zinc/98/12/33/435981233.db2.gz JYAYUBJYQWUTCZ-AEDCBLDQSA-N 2 2 317.864 3.218 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000647227579 435981593 /nfs/dbraw/zinc/98/15/93/435981593.db2.gz DVULTXBRXYIEOQ-IIAWOOMASA-N 2 2 318.486 3.145 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C[N@H+]1C1CC1 ZINC000647227579 435981598 /nfs/dbraw/zinc/98/15/98/435981598.db2.gz DVULTXBRXYIEOQ-IIAWOOMASA-N 2 2 318.486 3.145 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665279770 435938000 /nfs/dbraw/zinc/93/80/00/435938000.db2.gz LUTRXKDBNQPCLH-OFWKBQFLSA-N 2 2 321.262 3.086 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000665296146 435941997 /nfs/dbraw/zinc/94/19/97/435941997.db2.gz NKYNKGARQRLRAK-SDBXPKJASA-N 2 2 317.658 3.287 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000665298521 435942089 /nfs/dbraw/zinc/94/20/89/435942089.db2.gz XICKUAUNOHOJOV-IINYFYTJSA-N 2 2 302.340 3.234 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000665295441 435942579 /nfs/dbraw/zinc/94/25/79/435942579.db2.gz DOSJFVKOABQKHS-RYUDHWBXSA-N 2 2 319.474 3.386 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000665295383 435943443 /nfs/dbraw/zinc/94/34/43/435943443.db2.gz CPIDJVFEXUAQDA-SKDRFNHKSA-N 2 2 303.233 3.405 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408266 435943800 /nfs/dbraw/zinc/94/38/00/435943800.db2.gz IZJRYKGVCLRJQW-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408266 435943804 /nfs/dbraw/zinc/94/38/04/435943804.db2.gz IZJRYKGVCLRJQW-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408266 435943809 /nfs/dbraw/zinc/94/38/09/435943809.db2.gz IZJRYKGVCLRJQW-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408266 435943811 /nfs/dbraw/zinc/94/38/11/435943811.db2.gz IZJRYKGVCLRJQW-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408268 435944550 /nfs/dbraw/zinc/94/45/50/435944550.db2.gz IZJRYKGVCLRJQW-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408268 435944554 /nfs/dbraw/zinc/94/45/54/435944554.db2.gz IZJRYKGVCLRJQW-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408268 435944557 /nfs/dbraw/zinc/94/45/57/435944557.db2.gz IZJRYKGVCLRJQW-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408268 435944561 /nfs/dbraw/zinc/94/45/61/435944561.db2.gz IZJRYKGVCLRJQW-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])on1 ZINC000665299893 435944699 /nfs/dbraw/zinc/94/46/99/435944699.db2.gz VCVJCRKOQMKUFD-HOTGVXAUSA-N 2 2 315.417 3.100 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccncc1 ZINC000647290987 436003840 /nfs/dbraw/zinc/00/38/40/436003840.db2.gz AQDGGMDWLDONFO-SJORKVTESA-N 2 2 307.507 3.196 20 0 DGADLP [NH3+]Cc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)c(F)c1 ZINC000650716969 436003880 /nfs/dbraw/zinc/00/38/80/436003880.db2.gz OKAZFZPHQVVKEH-UHFFFAOYSA-N 2 2 319.327 3.050 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCC3CCC3)c2cc1C ZINC000656709584 436014801 /nfs/dbraw/zinc/01/48/01/436014801.db2.gz BWPSVOIPVHBGNU-KRWDZBQOSA-N 2 2 315.461 3.184 20 0 DGADLP CC[C@H](C)CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656704362 436014887 /nfs/dbraw/zinc/01/48/87/436014887.db2.gz IPEIHFDHVMMDNL-BBRMVZONSA-N 2 2 303.450 3.040 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC000656703672 436015879 /nfs/dbraw/zinc/01/58/79/436015879.db2.gz CRHSQYZTPGBIQL-LJQANCHMSA-N 2 2 324.424 3.015 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC000656703672 436015882 /nfs/dbraw/zinc/01/58/82/436015882.db2.gz CRHSQYZTPGBIQL-LJQANCHMSA-N 2 2 324.424 3.015 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)cn21 ZINC000647363538 436030962 /nfs/dbraw/zinc/03/09/62/436030962.db2.gz CLPUNCBLSYIXRG-IRXDYDNUSA-N 2 2 315.461 3.367 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCc4cccnc4CC3)cn21 ZINC000647364294 436032069 /nfs/dbraw/zinc/03/20/69/436032069.db2.gz WZCYMNNXAWCVAB-QGZVFWFLSA-N 2 2 320.440 3.117 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c[nH+]1 ZINC000656786737 436045870 /nfs/dbraw/zinc/04/58/70/436045870.db2.gz PXUUEIXNFYGRQZ-LJQANCHMSA-N 3 2 301.478 3.034 20 0 DGADLP COc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCCC3)cs2)cc1 ZINC000656788176 436047403 /nfs/dbraw/zinc/04/74/03/436047403.db2.gz GAJWQQGLORWCOD-UHFFFAOYSA-N 2 2 317.458 3.180 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccs2)cc1 ZINC000656790546 436047891 /nfs/dbraw/zinc/04/78/91/436047891.db2.gz YPSJPZPWONMDDH-ROUUACIJSA-N 2 2 316.470 3.382 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661543680 436105199 /nfs/dbraw/zinc/10/51/99/436105199.db2.gz HATYQIAWGGLCGL-UHFFFAOYSA-N 2 2 324.453 3.373 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661543680 436105204 /nfs/dbraw/zinc/10/52/04/436105204.db2.gz HATYQIAWGGLCGL-UHFFFAOYSA-N 2 2 324.453 3.373 20 0 DGADLP CC[C@H](C)Sc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653081402 436106849 /nfs/dbraw/zinc/10/68/49/436106849.db2.gz NODLLOANXNYXLO-ZFWWWQNUSA-N 2 2 323.506 3.103 20 0 DGADLP CC[C@@H](C)Sc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653081401 436107174 /nfs/dbraw/zinc/10/71/74/436107174.db2.gz NODLLOANXNYXLO-UKRRQHHQSA-N 2 2 323.506 3.103 20 0 DGADLP Fc1ccc2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)sc2c1 ZINC000647482645 436062454 /nfs/dbraw/zinc/06/24/54/436062454.db2.gz VLLLUHFGBKRZJO-UHFFFAOYSA-N 2 2 305.422 3.152 20 0 DGADLP Fc1ccc2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)sc2c1 ZINC000647482645 436062457 /nfs/dbraw/zinc/06/24/57/436062457.db2.gz VLLLUHFGBKRZJO-UHFFFAOYSA-N 2 2 305.422 3.152 20 0 DGADLP CCC[N@H+](Cc1ccc(OC)c(O[C@@H](C)CC)c1)[C@@H]1CC[NH2+]C1 ZINC000647492768 436062539 /nfs/dbraw/zinc/06/25/39/436062539.db2.gz XWORYSLJMJVSLA-DOTOQJQBSA-N 2 2 320.477 3.446 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC)c(O[C@@H](C)CC)c1)[C@@H]1CC[NH2+]C1 ZINC000647492768 436062542 /nfs/dbraw/zinc/06/25/42/436062542.db2.gz XWORYSLJMJVSLA-DOTOQJQBSA-N 2 2 320.477 3.446 20 0 DGADLP CCC[N@H+](Cc1ccc(OC)c(O[C@@H](C)CC)c1)[C@H]1CC[NH2+]C1 ZINC000647492770 436064024 /nfs/dbraw/zinc/06/40/24/436064024.db2.gz XWORYSLJMJVSLA-RDJZCZTQSA-N 2 2 320.477 3.446 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC)c(O[C@@H](C)CC)c1)[C@H]1CC[NH2+]C1 ZINC000647492770 436064027 /nfs/dbraw/zinc/06/40/27/436064027.db2.gz XWORYSLJMJVSLA-RDJZCZTQSA-N 2 2 320.477 3.446 20 0 DGADLP CC[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498949 436067225 /nfs/dbraw/zinc/06/72/25/436067225.db2.gz UPYASDIFSFTEKC-OALUTQOASA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498949 436067231 /nfs/dbraw/zinc/06/72/31/436067231.db2.gz UPYASDIFSFTEKC-OALUTQOASA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498949 436067232 /nfs/dbraw/zinc/06/72/32/436067232.db2.gz UPYASDIFSFTEKC-OALUTQOASA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498949 436067238 /nfs/dbraw/zinc/06/72/38/436067238.db2.gz UPYASDIFSFTEKC-OALUTQOASA-N 3 2 317.521 3.204 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000647531241 436073597 /nfs/dbraw/zinc/07/35/97/436073597.db2.gz JFNDOYSMBNYAEU-UHFFFAOYSA-N 2 2 304.768 3.255 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647536962 436075131 /nfs/dbraw/zinc/07/51/31/436075131.db2.gz POSZODWZNKEGAD-QGZVFWFLSA-N 2 2 305.491 3.376 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647536962 436075135 /nfs/dbraw/zinc/07/51/35/436075135.db2.gz POSZODWZNKEGAD-QGZVFWFLSA-N 2 2 305.491 3.376 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000647542413 436079049 /nfs/dbraw/zinc/07/90/49/436079049.db2.gz FPJYCFWUYJODID-BHYGNILZSA-N 2 2 318.461 3.056 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000647542413 436079053 /nfs/dbraw/zinc/07/90/53/436079053.db2.gz FPJYCFWUYJODID-BHYGNILZSA-N 2 2 318.461 3.056 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000666083503 436141859 /nfs/dbraw/zinc/14/18/59/436141859.db2.gz HRACOUXASWUBOC-OAHLLOKOSA-N 2 2 303.837 3.464 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000657336007 436141955 /nfs/dbraw/zinc/14/19/55/436141955.db2.gz WKRBFWZYUOSINN-GOSISDBHSA-N 2 2 312.461 3.028 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000657336007 436141962 /nfs/dbraw/zinc/14/19/62/436141962.db2.gz WKRBFWZYUOSINN-GOSISDBHSA-N 2 2 312.461 3.028 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657336007 436141966 /nfs/dbraw/zinc/14/19/66/436141966.db2.gz WKRBFWZYUOSINN-GOSISDBHSA-N 2 2 312.461 3.028 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657336007 436141971 /nfs/dbraw/zinc/14/19/71/436141971.db2.gz WKRBFWZYUOSINN-GOSISDBHSA-N 2 2 312.461 3.028 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(F)ccc1OC(F)F)Cn1cc[nH+]c1 ZINC000657334041 436142502 /nfs/dbraw/zinc/14/25/02/436142502.db2.gz JVPLSKZLEPQWGS-LLVKDONJSA-N 2 2 313.323 3.050 20 0 DGADLP Fc1c(C[NH2+]C2CC[NH+](C3CCC3)CC2)cccc1OC1CC1 ZINC000657334176 436142630 /nfs/dbraw/zinc/14/26/30/436142630.db2.gz OPMTXKMMFNZUQM-UHFFFAOYSA-N 2 2 318.436 3.473 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657334513 436143335 /nfs/dbraw/zinc/14/33/35/436143335.db2.gz CCUUMQYRHUFWEJ-LBPRGKRZSA-N 2 2 316.367 3.247 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657334513 436143341 /nfs/dbraw/zinc/14/33/41/436143341.db2.gz CCUUMQYRHUFWEJ-LBPRGKRZSA-N 2 2 316.367 3.247 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(F)c1OC(F)F)Cn1cc[nH+]c1 ZINC000657333968 436144132 /nfs/dbraw/zinc/14/41/32/436144132.db2.gz GRZQGMYQTVSXFR-NSHDSACASA-N 2 2 313.323 3.050 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@@H+]1C ZINC000647910995 436147009 /nfs/dbraw/zinc/14/70/09/436147009.db2.gz NLILNGJOOYQSHA-WFASDCNBSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@H+]1C ZINC000647910995 436147012 /nfs/dbraw/zinc/14/70/12/436147012.db2.gz NLILNGJOOYQSHA-WFASDCNBSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910995 436147015 /nfs/dbraw/zinc/14/70/15/436147015.db2.gz NLILNGJOOYQSHA-WFASDCNBSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910995 436147017 /nfs/dbraw/zinc/14/70/17/436147017.db2.gz NLILNGJOOYQSHA-WFASDCNBSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000657347829 436151149 /nfs/dbraw/zinc/15/11/49/436151149.db2.gz GPTRAVDRJBSPBS-QIJZBDPFSA-N 2 2 324.428 3.182 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931131 436151650 /nfs/dbraw/zinc/15/16/50/436151650.db2.gz INDGJAPMTWICJO-QUCCMNQESA-N 2 2 314.473 3.251 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931131 436151656 /nfs/dbraw/zinc/15/16/56/436151656.db2.gz INDGJAPMTWICJO-QUCCMNQESA-N 2 2 314.473 3.251 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657348185 436152023 /nfs/dbraw/zinc/15/20/23/436152023.db2.gz NDWMSYJGGDZFTI-LBPRGKRZSA-N 2 2 300.368 3.314 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657348185 436152029 /nfs/dbraw/zinc/15/20/29/436152029.db2.gz NDWMSYJGGDZFTI-LBPRGKRZSA-N 2 2 300.368 3.314 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653115696 436113719 /nfs/dbraw/zinc/11/37/19/436113719.db2.gz XLHBEGRWCYFDPI-GOEBONIOSA-N 2 2 324.428 3.300 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1OCC ZINC000657290839 436118221 /nfs/dbraw/zinc/11/82/21/436118221.db2.gz TXQGIPHSQZKJAZ-ZDUSSCGKSA-N 2 2 317.433 3.377 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647786061 436118544 /nfs/dbraw/zinc/11/85/44/436118544.db2.gz HHQBFKOTSSWYEL-DSLXNQLJSA-N 3 2 315.505 3.094 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H](c1ccccc1)c1cccnc1)CCC2 ZINC000657354714 436153903 /nfs/dbraw/zinc/15/39/03/436153903.db2.gz WDHFZBQUCDYGKR-LJQANCHMSA-N 2 2 304.397 3.104 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959919 436157278 /nfs/dbraw/zinc/15/72/78/436157278.db2.gz UYCOLQBSIIQWGO-RHSMWYFYSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959919 436157281 /nfs/dbraw/zinc/15/72/81/436157281.db2.gz UYCOLQBSIIQWGO-RHSMWYFYSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959919 436157285 /nfs/dbraw/zinc/15/72/85/436157285.db2.gz UYCOLQBSIIQWGO-RHSMWYFYSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959919 436157290 /nfs/dbraw/zinc/15/72/90/436157290.db2.gz UYCOLQBSIIQWGO-RHSMWYFYSA-N 2 2 310.869 3.178 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647955060 436159113 /nfs/dbraw/zinc/15/91/13/436159113.db2.gz OFAJQXMKLICWTR-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647955060 436159116 /nfs/dbraw/zinc/15/91/16/436159116.db2.gz OFAJQXMKLICWTR-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000647954791 436159243 /nfs/dbraw/zinc/15/92/43/436159243.db2.gz CTQWCEOSCKYAAE-FQEVSTJZSA-N 2 2 318.505 3.476 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000647954791 436159248 /nfs/dbraw/zinc/15/92/48/436159248.db2.gz CTQWCEOSCKYAAE-FQEVSTJZSA-N 2 2 318.505 3.476 20 0 DGADLP CC(C)c1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000647954791 436159250 /nfs/dbraw/zinc/15/92/50/436159250.db2.gz CTQWCEOSCKYAAE-FQEVSTJZSA-N 2 2 318.505 3.476 20 0 DGADLP CC(C)c1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000647954791 436159255 /nfs/dbraw/zinc/15/92/55/436159255.db2.gz CTQWCEOSCKYAAE-FQEVSTJZSA-N 2 2 318.505 3.476 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657383718 436170495 /nfs/dbraw/zinc/17/04/95/436170495.db2.gz NKNQMDJMAGQWEI-QGZVFWFLSA-N 2 2 301.409 3.325 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000648004426 436174854 /nfs/dbraw/zinc/17/48/54/436174854.db2.gz GRLVRKDOWJESCY-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1OC ZINC000657523816 436234843 /nfs/dbraw/zinc/23/48/43/436234843.db2.gz LBPKXDSRLLCEOW-OAHLLOKOSA-N 2 2 306.450 3.056 20 0 DGADLP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1OC ZINC000657523816 436234846 /nfs/dbraw/zinc/23/48/46/436234846.db2.gz LBPKXDSRLLCEOW-OAHLLOKOSA-N 2 2 306.450 3.056 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1OC ZINC000657523461 436235760 /nfs/dbraw/zinc/23/57/60/436235760.db2.gz JHFZYEFTVCTISX-INIZCTEOSA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1OC ZINC000657523461 436235762 /nfs/dbraw/zinc/23/57/62/436235762.db2.gz JHFZYEFTVCTISX-INIZCTEOSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000657525518 436235945 /nfs/dbraw/zinc/23/59/45/436235945.db2.gz YDFRITHVCOWRIY-INIZCTEOSA-N 2 2 316.424 3.178 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000657525518 436235947 /nfs/dbraw/zinc/23/59/47/436235947.db2.gz YDFRITHVCOWRIY-INIZCTEOSA-N 2 2 316.424 3.178 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccn1 ZINC000657536622 436238724 /nfs/dbraw/zinc/23/87/24/436238724.db2.gz YNUPRVUUUMEDHN-ZDUSSCGKSA-N 2 2 315.383 3.192 20 0 DGADLP C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661981142 436241661 /nfs/dbraw/zinc/24/16/61/436241661.db2.gz HLGCYHRICPKXLL-INIZCTEOSA-N 2 2 311.429 3.406 20 0 DGADLP C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661981142 436241664 /nfs/dbraw/zinc/24/16/64/436241664.db2.gz HLGCYHRICPKXLL-INIZCTEOSA-N 2 2 311.429 3.406 20 0 DGADLP Cn1c2ccc(NCc3c[nH+]c4n3CCC4)cc2[nH+]c1C1CC1 ZINC000657418123 436188497 /nfs/dbraw/zinc/18/84/97/436188497.db2.gz JVKKLICLQIWVMQ-UHFFFAOYSA-N 2 2 307.401 3.206 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000657431330 436198442 /nfs/dbraw/zinc/19/84/42/436198442.db2.gz FHHHLFVROPSPIW-IPMKNSEASA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000657431330 436198446 /nfs/dbraw/zinc/19/84/46/436198446.db2.gz FHHHLFVROPSPIW-IPMKNSEASA-N 2 2 324.472 3.108 20 0 DGADLP c1ccc(NC[C@H]2CC[N@@H+](CCc3noc4ccccc34)C2)[nH+]c1 ZINC000653558092 436204808 /nfs/dbraw/zinc/20/48/08/436204808.db2.gz ULITTYPBKAJRSK-OAHLLOKOSA-N 2 2 322.412 3.199 20 0 DGADLP c1ccc(NC[C@H]2CC[N@H+](CCc3noc4ccccc34)C2)[nH+]c1 ZINC000653558092 436204812 /nfs/dbraw/zinc/20/48/12/436204812.db2.gz ULITTYPBKAJRSK-OAHLLOKOSA-N 2 2 322.412 3.199 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000657469053 436213755 /nfs/dbraw/zinc/21/37/55/436213755.db2.gz DTTITYKFFJVUCU-GOSISDBHSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000657469053 436213760 /nfs/dbraw/zinc/21/37/60/436213760.db2.gz DTTITYKFFJVUCU-GOSISDBHSA-N 2 2 312.461 3.110 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590679 436217482 /nfs/dbraw/zinc/21/74/82/436217482.db2.gz VQSHJHWKYVBGDL-QZTJIDSGSA-N 2 2 313.445 3.376 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590679 436217486 /nfs/dbraw/zinc/21/74/86/436217486.db2.gz VQSHJHWKYVBGDL-QZTJIDSGSA-N 2 2 313.445 3.376 20 0 DGADLP C[NH+](C)C1CC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657500760 436230653 /nfs/dbraw/zinc/23/06/53/436230653.db2.gz RXGCRLUUNCDKNI-UHFFFAOYSA-N 2 2 315.392 3.195 20 0 DGADLP CC1(C)[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(F)F ZINC000657739818 436290914 /nfs/dbraw/zinc/29/09/14/436290914.db2.gz WKBPSPDJSNGDAN-LLVKDONJSA-N 2 2 314.342 3.284 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752198 436294989 /nfs/dbraw/zinc/29/49/89/436294989.db2.gz NHJRHQCKTYIFLA-KDOFPFPSSA-N 2 2 322.880 3.114 20 0 DGADLP CC(C)[C@H](O)[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000657749216 436295992 /nfs/dbraw/zinc/29/59/92/436295992.db2.gz ZJMABKBOIPILAN-OALUTQOASA-N 2 2 309.413 3.182 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653688915 436244380 /nfs/dbraw/zinc/24/43/80/436244380.db2.gz QYSIPPVCTAPJHZ-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653688915 436244383 /nfs/dbraw/zinc/24/43/83/436244383.db2.gz QYSIPPVCTAPJHZ-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000653750332 436256962 /nfs/dbraw/zinc/25/69/62/436256962.db2.gz AZNOEOWOMQPVEB-GOSISDBHSA-N 2 2 323.444 3.456 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000653750332 436256964 /nfs/dbraw/zinc/25/69/64/436256964.db2.gz AZNOEOWOMQPVEB-GOSISDBHSA-N 2 2 323.444 3.456 20 0 DGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000666654384 436261784 /nfs/dbraw/zinc/26/17/84/436261784.db2.gz DYVLLMVOCWZYLZ-UHFFFAOYSA-N 2 2 308.441 3.195 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657638779 436266782 /nfs/dbraw/zinc/26/67/82/436266782.db2.gz WSHYKNCDXYQHKI-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657638779 436266788 /nfs/dbraw/zinc/26/67/88/436266788.db2.gz WSHYKNCDXYQHKI-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP CCC(C)(C)[NH+]1CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000653811365 436270718 /nfs/dbraw/zinc/27/07/18/436270718.db2.gz GREGSTUSBPTSMP-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP Cc1ccc2[nH+]cc(CN[C@H]3CC[N@@H+](C4CCCCC4)C3)n2c1 ZINC000657677539 436277136 /nfs/dbraw/zinc/27/71/36/436277136.db2.gz FJDBMBXXCSCWNQ-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc2[nH+]cc(CN[C@H]3CC[N@H+](C4CCCCC4)C3)n2c1 ZINC000657677539 436277140 /nfs/dbraw/zinc/27/71/40/436277140.db2.gz FJDBMBXXCSCWNQ-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCCC[NH2+]3)s2)cc1 ZINC000666768222 436277702 /nfs/dbraw/zinc/27/77/02/436277702.db2.gz CXIQBFPYWFOTNK-HNNXBMFYSA-N 2 2 301.459 3.350 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666758756 436278007 /nfs/dbraw/zinc/27/80/07/436278007.db2.gz YRDSDSSKBNJDMM-INIZCTEOSA-N 2 2 320.868 3.192 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000666768488 436278125 /nfs/dbraw/zinc/27/81/25/436278125.db2.gz GVQUEUBMCUZJJJ-ZBFHGGJFSA-N 2 2 306.450 3.104 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000666758723 436278279 /nfs/dbraw/zinc/27/82/79/436278279.db2.gz HARVKUUAGQIABX-AWEZNQCLSA-N 2 2 319.474 3.426 20 0 DGADLP COC1([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCC1 ZINC000657931988 436342504 /nfs/dbraw/zinc/34/25/04/436342504.db2.gz NWVRIEVJSJIXIE-HZPDHXFCSA-N 2 2 317.477 3.154 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666884307 436299372 /nfs/dbraw/zinc/29/93/72/436299372.db2.gz GSVILUIQMRKOBW-BBRMVZONSA-N 2 2 324.428 3.063 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773301 436301020 /nfs/dbraw/zinc/30/10/20/436301020.db2.gz QJWHUXBWQYVLPC-SFHVURJKSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773301 436301024 /nfs/dbraw/zinc/30/10/24/436301024.db2.gz QJWHUXBWQYVLPC-SFHVURJKSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773301 436301027 /nfs/dbraw/zinc/30/10/27/436301027.db2.gz QJWHUXBWQYVLPC-SFHVURJKSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773301 436301032 /nfs/dbraw/zinc/30/10/32/436301032.db2.gz QJWHUXBWQYVLPC-SFHVURJKSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3[C@H]4Cc5cc(F)ccc5[C@@H]34)c[nH+]c12 ZINC000657789067 436305833 /nfs/dbraw/zinc/30/58/33/436305833.db2.gz DEXJHHLNWBJJPZ-RCCFBDPRSA-N 2 2 307.372 3.210 20 0 DGADLP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])on2)cc1 ZINC000662233526 436307437 /nfs/dbraw/zinc/30/74/37/436307437.db2.gz GIKNTUMPOGBDSP-UGSOOPFHSA-N 2 2 315.417 3.052 20 0 DGADLP COc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])on2)cc1 ZINC000662233526 436307441 /nfs/dbraw/zinc/30/74/41/436307441.db2.gz GIKNTUMPOGBDSP-UGSOOPFHSA-N 2 2 315.417 3.052 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657793000 436308945 /nfs/dbraw/zinc/30/89/45/436308945.db2.gz GYGZFESGWILNIO-FUHWJXTLSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657793000 436308947 /nfs/dbraw/zinc/30/89/47/436308947.db2.gz GYGZFESGWILNIO-FUHWJXTLSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000662236480 436309214 /nfs/dbraw/zinc/30/92/14/436309214.db2.gz XXNSUGPWTCCLHE-SMDDNHRTSA-N 2 2 300.418 3.259 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCSc1ccc(F)cc1F ZINC000662236480 436309217 /nfs/dbraw/zinc/30/92/17/436309217.db2.gz XXNSUGPWTCCLHE-SMDDNHRTSA-N 2 2 300.418 3.259 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCN3Cc3ccccc3)n2c1 ZINC000657807348 436311985 /nfs/dbraw/zinc/31/19/85/436311985.db2.gz LUYLETXMPRADIQ-SFHVURJKSA-N 2 2 320.440 3.007 20 0 DGADLP CC[N@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254311 436312761 /nfs/dbraw/zinc/31/27/61/436312761.db2.gz HBSZSJMFIJEXNU-IUODEOHRSA-N 2 2 316.367 3.077 20 0 DGADLP CC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254311 436312764 /nfs/dbraw/zinc/31/27/64/436312764.db2.gz HBSZSJMFIJEXNU-IUODEOHRSA-N 2 2 316.367 3.077 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000662264644 436316429 /nfs/dbraw/zinc/31/64/29/436316429.db2.gz FATRPHOUKQOPMM-UHFFFAOYSA-N 2 2 317.658 3.382 20 0 DGADLP CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000657822469 436317193 /nfs/dbraw/zinc/31/71/93/436317193.db2.gz SNRJGUYKDIUFOY-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657822469 436317199 /nfs/dbraw/zinc/31/71/99/436317199.db2.gz SNRJGUYKDIUFOY-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1c(Cl)ccc2cccnc21)C1CCCC1 ZINC000666970668 436317502 /nfs/dbraw/zinc/31/75/02/436317502.db2.gz VRVBGGGQQWFKRF-MRXNPFEDSA-N 2 2 303.837 3.495 20 0 DGADLP FCC1(CF)CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000657836522 436321982 /nfs/dbraw/zinc/32/19/82/436321982.db2.gz VZJGBTMDDDLEKJ-INIZCTEOSA-N 2 2 308.416 3.328 20 0 DGADLP FCC1(CF)CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000657836522 436321985 /nfs/dbraw/zinc/32/19/85/436321985.db2.gz VZJGBTMDDDLEKJ-INIZCTEOSA-N 2 2 308.416 3.328 20 0 DGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000662282615 436323145 /nfs/dbraw/zinc/32/31/45/436323145.db2.gz PCLFSJDXLWHASQ-YOEHRIQHSA-N 2 2 302.418 3.016 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657845578 436325409 /nfs/dbraw/zinc/32/54/09/436325409.db2.gz MEPZQBBQKPOJNR-GOSISDBHSA-N 2 2 318.436 3.091 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657860489 436328390 /nfs/dbraw/zinc/32/83/90/436328390.db2.gz IDWYLMSDKJTWRH-RTBURBONSA-N 2 2 314.473 3.433 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1CCC[NH3+] ZINC000662312517 436329701 /nfs/dbraw/zinc/32/97/01/436329701.db2.gz HBGWJIALLKHVED-VQIMIIECSA-N 3 2 312.461 3.212 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1CCC[NH3+] ZINC000662312517 436329704 /nfs/dbraw/zinc/32/97/04/436329704.db2.gz HBGWJIALLKHVED-VQIMIIECSA-N 3 2 312.461 3.212 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325221 436330366 /nfs/dbraw/zinc/33/03/66/436330366.db2.gz DCLCHQSKQPMEHL-GOSISDBHSA-N 2 2 319.493 3.056 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325221 436330369 /nfs/dbraw/zinc/33/03/69/436330369.db2.gz DCLCHQSKQPMEHL-GOSISDBHSA-N 2 2 319.493 3.056 20 0 DGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323907 436331640 /nfs/dbraw/zinc/33/16/40/436331640.db2.gz UFMNCIJKLLXYNZ-ZFWWWQNUSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323907 436331643 /nfs/dbraw/zinc/33/16/43/436331643.db2.gz UFMNCIJKLLXYNZ-ZFWWWQNUSA-N 2 2 312.404 3.068 20 0 DGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000657879542 436331721 /nfs/dbraw/zinc/33/17/21/436331721.db2.gz LKDKSKRMEAIZFP-IPJUCJBFSA-N 2 2 304.478 3.444 20 0 DGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000657879542 436331725 /nfs/dbraw/zinc/33/17/25/436331725.db2.gz LKDKSKRMEAIZFP-IPJUCJBFSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876194 436332326 /nfs/dbraw/zinc/33/23/26/436332326.db2.gz KSTLFBUVDHPKAC-DOMZBBRYSA-N 2 2 301.459 3.431 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876194 436332328 /nfs/dbraw/zinc/33/23/28/436332328.db2.gz KSTLFBUVDHPKAC-DOMZBBRYSA-N 2 2 301.459 3.431 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662369444 436339731 /nfs/dbraw/zinc/33/97/31/436339731.db2.gz SXBYDJVGALUSLU-QGZVFWFLSA-N 2 2 321.371 3.037 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662369444 436339736 /nfs/dbraw/zinc/33/97/36/436339736.db2.gz SXBYDJVGALUSLU-QGZVFWFLSA-N 2 2 321.371 3.037 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662369443 436340372 /nfs/dbraw/zinc/34/03/72/436340372.db2.gz SXBYDJVGALUSLU-KRWDZBQOSA-N 2 2 321.371 3.037 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662369443 436340375 /nfs/dbraw/zinc/34/03/75/436340375.db2.gz SXBYDJVGALUSLU-KRWDZBQOSA-N 2 2 321.371 3.037 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC000658059086 436361165 /nfs/dbraw/zinc/36/11/65/436361165.db2.gz HTEJWGPZUIFIKE-CVEARBPZSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C2 ZINC000658059086 436361168 /nfs/dbraw/zinc/36/11/68/436361168.db2.gz HTEJWGPZUIFIKE-CVEARBPZSA-N 2 2 302.462 3.015 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057178 436362102 /nfs/dbraw/zinc/36/21/02/436362102.db2.gz NTGCZOLCADUPJL-JKSUJKDBSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057178 436362107 /nfs/dbraw/zinc/36/21/07/436362107.db2.gz NTGCZOLCADUPJL-JKSUJKDBSA-N 2 2 317.477 3.175 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(OC)c1 ZINC000658057982 436362273 /nfs/dbraw/zinc/36/22/73/436362273.db2.gz QOYXSBRCQCOMRQ-KGLIPLIRSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(OC)c1 ZINC000658057982 436362276 /nfs/dbraw/zinc/36/22/76/436362276.db2.gz QOYXSBRCQCOMRQ-KGLIPLIRSA-N 2 2 306.450 3.227 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092658 436371053 /nfs/dbraw/zinc/37/10/53/436371053.db2.gz RAHQCPOGUQOKMW-GOEBONIOSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092658 436371056 /nfs/dbraw/zinc/37/10/56/436371056.db2.gz RAHQCPOGUQOKMW-GOEBONIOSA-N 2 2 318.461 3.199 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091059 436371599 /nfs/dbraw/zinc/37/15/99/436371599.db2.gz KOHOOGAEYGWICN-HOTGVXAUSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091059 436371603 /nfs/dbraw/zinc/37/16/03/436371603.db2.gz KOHOOGAEYGWICN-HOTGVXAUSA-N 2 2 317.477 3.175 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090038 436372145 /nfs/dbraw/zinc/37/21/45/436372145.db2.gz CZBWNMUUEFIUQY-CVEARBPZSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090038 436372150 /nfs/dbraw/zinc/37/21/50/436372150.db2.gz CZBWNMUUEFIUQY-CVEARBPZSA-N 2 2 318.461 3.371 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091640 436372311 /nfs/dbraw/zinc/37/23/11/436372311.db2.gz MUMZSSBATNAEJH-DOTOQJQBSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091640 436372314 /nfs/dbraw/zinc/37/23/14/436372314.db2.gz MUMZSSBATNAEJH-DOTOQJQBSA-N 2 2 317.477 3.175 20 0 DGADLP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000662732142 436381524 /nfs/dbraw/zinc/38/15/24/436381524.db2.gz KRRUWNQRIOHQGP-MRXNPFEDSA-N 2 2 311.385 3.201 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1F ZINC000658164892 436393084 /nfs/dbraw/zinc/39/30/84/436393084.db2.gz ARRFLXLYGHGPAH-APWZRJJASA-N 2 2 320.452 3.366 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000658239633 436408675 /nfs/dbraw/zinc/40/86/75/436408675.db2.gz NSBMVJUCYHYWFW-HXUWFJFHSA-N 2 2 323.440 3.029 20 0 DGADLP CCOC1CCC([NH2+]CCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000658042919 436358873 /nfs/dbraw/zinc/35/88/73/436358873.db2.gz JEQHUHGCYPSNID-UHFFFAOYSA-N 2 2 301.434 3.123 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327265 436431276 /nfs/dbraw/zinc/43/12/76/436431276.db2.gz NOQJNMSIRCBNMD-BXUZGUMPSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327265 436431280 /nfs/dbraw/zinc/43/12/80/436431280.db2.gz NOQJNMSIRCBNMD-BXUZGUMPSA-N 2 2 316.367 3.247 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccco1 ZINC000658326554 436431892 /nfs/dbraw/zinc/43/18/92/436431892.db2.gz HCOGKOJKXAMIEK-VQIMIIECSA-N 2 2 313.445 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccco1 ZINC000658326554 436431896 /nfs/dbraw/zinc/43/18/96/436431896.db2.gz HCOGKOJKXAMIEK-VQIMIIECSA-N 2 2 313.445 3.107 20 0 DGADLP COCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000663336902 436439514 /nfs/dbraw/zinc/43/95/14/436439514.db2.gz DHEUMTKRLVMGSF-UHFFFAOYSA-N 2 2 305.447 3.373 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000658294108 436420247 /nfs/dbraw/zinc/42/02/47/436420247.db2.gz GFJYKORVHPHRTB-BXUZGUMPSA-N 2 2 314.882 3.305 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCc1ccccc1-2 ZINC000663475262 436468404 /nfs/dbraw/zinc/46/84/04/436468404.db2.gz PLIYOFKCOFJCIK-SFHVURJKSA-N 2 2 322.456 3.076 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000663510067 436472772 /nfs/dbraw/zinc/47/27/72/436472772.db2.gz ORXNRXXMVNWXPL-HNNXBMFYSA-N 2 2 314.477 3.176 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000663514939 436473265 /nfs/dbraw/zinc/47/32/65/436473265.db2.gz WXIRURXOFGRSHH-UXHZXRBQSA-N 2 2 310.441 3.476 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[nH+]1 ZINC000663940293 436530465 /nfs/dbraw/zinc/53/04/65/436530465.db2.gz XAIWLDMPGQBWMM-HNNXBMFYSA-N 2 2 313.367 3.331 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655446299 436550128 /nfs/dbraw/zinc/55/01/28/436550128.db2.gz MKTYAIIMLVQZIQ-HKUYNNGSSA-N 2 2 323.396 3.202 20 0 DGADLP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000659954737 436568438 /nfs/dbraw/zinc/56/84/38/436568438.db2.gz ASWXMSWEDOIMKM-GOSISDBHSA-N 2 2 316.489 3.138 20 0 DGADLP CC(C)(C)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000659954737 436568442 /nfs/dbraw/zinc/56/84/42/436568442.db2.gz ASWXMSWEDOIMKM-GOSISDBHSA-N 2 2 316.489 3.138 20 0 DGADLP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655685655 436574208 /nfs/dbraw/zinc/57/42/08/436574208.db2.gz KDYQTIDMXNNCMN-KZNAEPCWSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655687119 436574966 /nfs/dbraw/zinc/57/49/66/436574966.db2.gz VPEXYHNEWHEKGR-PMACEKPBSA-N 2 2 314.473 3.289 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655690872 436575343 /nfs/dbraw/zinc/57/53/43/436575343.db2.gz AATRUUAYZZIGJM-RTBURBONSA-N 2 2 302.462 3.227 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1cccc(OC)c1 ZINC000659995572 436577230 /nfs/dbraw/zinc/57/72/30/436577230.db2.gz VBZRGZYQPVGQND-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1cccc(OC)c1 ZINC000659995572 436577231 /nfs/dbraw/zinc/57/72/31/436577231.db2.gz VBZRGZYQPVGQND-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1cccc(OC)c1 ZINC000659995572 436577233 /nfs/dbraw/zinc/57/72/33/436577233.db2.gz VBZRGZYQPVGQND-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCSc1cccc(OC)c1 ZINC000659995572 436577234 /nfs/dbraw/zinc/57/72/34/436577234.db2.gz VBZRGZYQPVGQND-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000660306675 436622046 /nfs/dbraw/zinc/62/20/46/436622046.db2.gz UFEPSSPUDOBZFM-KSSFIOAISA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000660306675 436622047 /nfs/dbraw/zinc/62/20/47/436622047.db2.gz UFEPSSPUDOBZFM-KSSFIOAISA-N 2 2 313.445 3.292 20 0 DGADLP CO[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000660148527 436594465 /nfs/dbraw/zinc/59/44/65/436594465.db2.gz PPTJSHDQNQCAAO-QGZVFWFLSA-N 2 2 303.450 3.163 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660157645 436597365 /nfs/dbraw/zinc/59/73/65/436597365.db2.gz VEAVHELMTIVXQL-QYZOEREBSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660157645 436597368 /nfs/dbraw/zinc/59/73/68/436597368.db2.gz VEAVHELMTIVXQL-QYZOEREBSA-N 2 2 321.553 3.161 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1Cl ZINC000660195891 436603154 /nfs/dbraw/zinc/60/31/54/436603154.db2.gz CXURCXSPSQRWEZ-WMLDXEAASA-N 2 2 312.885 3.328 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000660195891 436603156 /nfs/dbraw/zinc/60/31/56/436603156.db2.gz CXURCXSPSQRWEZ-WMLDXEAASA-N 2 2 312.885 3.328 20 0 DGADLP Cc1nc(N2CCC[C@H]2C[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC000302538612 302648354 /nfs/dbraw/zinc/64/83/54/302648354.db2.gz RZMWKTPXEXDECN-INIZCTEOSA-N 2 2 314.477 3.119 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121052218 303058042 /nfs/dbraw/zinc/05/80/42/303058042.db2.gz YBSREYRWIHZJIW-QUCCMNQESA-N 2 2 324.472 3.224 20 0 DGADLP C[C@H](C[NH2+]Cc1cnc(C2CCCC2)s1)Cn1cc[nH+]c1 ZINC000178619949 312791758 /nfs/dbraw/zinc/79/17/58/312791758.db2.gz BXXAVKMRGKRBPL-CYBMUJFWSA-N 2 2 304.463 3.423 20 0 DGADLP CCN(CC)c1ccc(CNc2[nH+]c3ccccc3n2C)c[nH+]1 ZINC000179283244 312801712 /nfs/dbraw/zinc/80/17/12/312801712.db2.gz AJABNFUKUPUTTI-UHFFFAOYSA-N 2 2 309.417 3.427 20 0 DGADLP CC1CC[NH+](Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CC1 ZINC000350589633 312923003 /nfs/dbraw/zinc/92/30/03/312923003.db2.gz CSBOTNKPXDNYGW-UHFFFAOYSA-N 2 2 323.400 3.154 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000377261519 313034606 /nfs/dbraw/zinc/03/46/06/313034606.db2.gz JGJMUGCXRRXCDQ-QGZVFWFLSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000377261519 313034608 /nfs/dbraw/zinc/03/46/08/313034608.db2.gz JGJMUGCXRRXCDQ-QGZVFWFLSA-N 2 2 317.408 3.397 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000528729402 313066641 /nfs/dbraw/zinc/06/66/41/313066641.db2.gz PPZFZIKTMWBRKY-UHFFFAOYSA-N 2 2 314.473 3.251 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)c[nH+]1 ZINC000528731143 313067831 /nfs/dbraw/zinc/06/78/31/313067831.db2.gz RDNFNNJQXMUGEP-IBGZPJMESA-N 2 2 311.429 3.133 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)c[nH+]1 ZINC000528731143 313067833 /nfs/dbraw/zinc/06/78/33/313067833.db2.gz RDNFNNJQXMUGEP-IBGZPJMESA-N 2 2 311.429 3.133 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC(F)(F)C1 ZINC000529530342 313217817 /nfs/dbraw/zinc/21/78/17/313217817.db2.gz DMBJGCDHOLPNGT-CYBMUJFWSA-N 2 2 305.372 3.455 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C(F)(F)F)c1 ZINC000529532039 313219688 /nfs/dbraw/zinc/21/96/88/313219688.db2.gz HIXDLHYZXXCYTE-LBPRGKRZSA-N 2 2 316.367 3.098 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C(F)(F)F)c1 ZINC000529532039 313219690 /nfs/dbraw/zinc/21/96/90/313219690.db2.gz HIXDLHYZXXCYTE-LBPRGKRZSA-N 2 2 316.367 3.098 20 0 DGADLP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c2ncccc12 ZINC000530179431 313334603 /nfs/dbraw/zinc/33/46/03/313334603.db2.gz VAPNMHVZRIZDJP-OAHLLOKOSA-N 2 2 301.821 3.262 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216978 313341723 /nfs/dbraw/zinc/34/17/23/313341723.db2.gz DVLPRNGKIGZBIR-KBXCAEBGSA-N 3 2 310.445 3.116 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccnc1C(F)(F)F ZINC000530220411 313342292 /nfs/dbraw/zinc/34/22/92/313342292.db2.gz UKUVCVTZWOSQSH-UHFFFAOYSA-N 2 2 323.362 3.451 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccnc1C(F)(F)F ZINC000530220411 313342294 /nfs/dbraw/zinc/34/22/94/313342294.db2.gz UKUVCVTZWOSQSH-UHFFFAOYSA-N 2 2 323.362 3.451 20 0 DGADLP COc1cccc2cc([C@@H](C)[NH2+][C@H]3CC[NH2+]C34CCC4)oc21 ZINC000530224266 313342944 /nfs/dbraw/zinc/34/29/44/313342944.db2.gz VUJMXIKCAFXZPI-WBMJQRKESA-N 2 2 300.402 3.377 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C[C@H]1n1cc[nH+]c1 ZINC000530516746 313379411 /nfs/dbraw/zinc/37/94/11/313379411.db2.gz LCGUTEOOTKHLRP-BRWVUGGUSA-N 2 2 303.450 3.258 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@H]1n1cc[nH+]c1 ZINC000530516746 313379413 /nfs/dbraw/zinc/37/94/13/313379413.db2.gz LCGUTEOOTKHLRP-BRWVUGGUSA-N 2 2 303.450 3.258 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)c(C)c1 ZINC000534109507 313649265 /nfs/dbraw/zinc/64/92/65/313649265.db2.gz COXZXNOQESFRCI-KRWDZBQOSA-N 2 2 312.461 3.229 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000536984320 313792528 /nfs/dbraw/zinc/79/25/28/313792528.db2.gz VVYWCDXFZBKUCY-CYBMUJFWSA-N 2 2 315.465 3.191 20 0 DGADLP CC(C)[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000538559405 313868588 /nfs/dbraw/zinc/86/85/88/313868588.db2.gz WRCWOIGTXSORHB-AEFFLSMTSA-N 2 2 302.466 3.068 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000541737104 314035235 /nfs/dbraw/zinc/03/52/35/314035235.db2.gz QVWDBAKAQGDAJL-KSSFIOAISA-N 2 2 322.880 3.275 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC(=O)Nc3ccccc31)CCC2 ZINC000542471890 314078464 /nfs/dbraw/zinc/07/84/64/314078464.db2.gz GCDUVKCGHQJAPZ-HOCLYGCPSA-N 2 2 324.428 3.132 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000542670020 314090480 /nfs/dbraw/zinc/09/04/80/314090480.db2.gz FIKLEJLJAMTIFY-PXNSSMCTSA-N 2 2 324.472 3.420 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000542670020 314090484 /nfs/dbraw/zinc/09/04/84/314090484.db2.gz FIKLEJLJAMTIFY-PXNSSMCTSA-N 2 2 324.472 3.420 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528328 314196846 /nfs/dbraw/zinc/19/68/46/314196846.db2.gz FHLWTRNUUATUDF-PMACEKPBSA-N 2 2 316.489 3.194 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528328 314196848 /nfs/dbraw/zinc/19/68/48/314196848.db2.gz FHLWTRNUUATUDF-PMACEKPBSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528328 314196850 /nfs/dbraw/zinc/19/68/50/314196850.db2.gz FHLWTRNUUATUDF-PMACEKPBSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528328 314196855 /nfs/dbraw/zinc/19/68/55/314196855.db2.gz FHLWTRNUUATUDF-PMACEKPBSA-N 2 2 316.489 3.194 20 0 DGADLP c1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cncnc2)cc1 ZINC000544566066 314198592 /nfs/dbraw/zinc/19/85/92/314198592.db2.gz SSYBTDAVPRZNOS-LJQANCHMSA-N 2 2 319.412 3.053 20 0 DGADLP C[C@@H](CCC1CC1)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000545971784 314280668 /nfs/dbraw/zinc/28/06/68/314280668.db2.gz QEOSWHHVCXIMFO-LBPRGKRZSA-N 2 2 308.389 3.201 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3C=CCCCCC3)CC2)c1 ZINC000549806478 314519382 /nfs/dbraw/zinc/51/93/82/314519382.db2.gz KQKMEDGLWPICST-MRXNPFEDSA-N 2 2 301.434 3.101 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3C=CCCCCC3)CC2)c1 ZINC000549806477 314519804 /nfs/dbraw/zinc/51/98/04/314519804.db2.gz KQKMEDGLWPICST-INIZCTEOSA-N 2 2 301.434 3.101 20 0 DGADLP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)ccc1SC ZINC000562478484 315022837 /nfs/dbraw/zinc/02/28/37/315022837.db2.gz LBFRVIOZTYLIBV-LSDHHAIUSA-N 2 2 306.475 3.086 20 0 DGADLP COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)ccc1SC ZINC000562478484 315022839 /nfs/dbraw/zinc/02/28/39/315022839.db2.gz LBFRVIOZTYLIBV-LSDHHAIUSA-N 2 2 306.475 3.086 20 0 DGADLP COc1cc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1SC ZINC000562478484 315022841 /nfs/dbraw/zinc/02/28/41/315022841.db2.gz LBFRVIOZTYLIBV-LSDHHAIUSA-N 2 2 306.475 3.086 20 0 DGADLP COc1cc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1SC ZINC000562478484 315022845 /nfs/dbraw/zinc/02/28/45/315022845.db2.gz LBFRVIOZTYLIBV-LSDHHAIUSA-N 2 2 306.475 3.086 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2[nH+]1 ZINC000563091126 315077865 /nfs/dbraw/zinc/07/78/65/315077865.db2.gz VIGMCCRKRAGZRO-KGLIPLIRSA-N 2 2 300.406 3.108 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563135815 315082572 /nfs/dbraw/zinc/08/25/72/315082572.db2.gz UQTXDLHNBIYPKZ-HUUCEWRRSA-N 2 2 305.491 3.232 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563135815 315082573 /nfs/dbraw/zinc/08/25/73/315082573.db2.gz UQTXDLHNBIYPKZ-HUUCEWRRSA-N 2 2 305.491 3.232 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000563417933 315113188 /nfs/dbraw/zinc/11/31/88/315113188.db2.gz MZCCRNYQHNBWGQ-FRQCXROJSA-N 2 2 310.445 3.099 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000563417933 315113190 /nfs/dbraw/zinc/11/31/90/315113190.db2.gz MZCCRNYQHNBWGQ-FRQCXROJSA-N 2 2 310.445 3.099 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000563428196 315114905 /nfs/dbraw/zinc/11/49/05/315114905.db2.gz ANBZZXSSNLINQM-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000563428196 315114908 /nfs/dbraw/zinc/11/49/08/315114908.db2.gz ANBZZXSSNLINQM-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000564826435 315203500 /nfs/dbraw/zinc/20/35/00/315203500.db2.gz KEOYXWVJKPLPDH-MSOLQXFVSA-N 2 2 324.472 3.111 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000565298558 315250604 /nfs/dbraw/zinc/25/06/04/315250604.db2.gz FDURYTSIRWRHCY-BEFAXECRSA-N 2 2 314.429 3.084 20 0 DGADLP CC(C)n1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000565339360 315253686 /nfs/dbraw/zinc/25/36/86/315253686.db2.gz VMWVLXNVBHSSJO-UHFFFAOYSA-N 2 2 304.482 3.351 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000565473889 315263801 /nfs/dbraw/zinc/26/38/01/315263801.db2.gz MYMRTFXLCOIXPN-UHFFFAOYSA-N 2 2 306.841 3.114 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000565473889 315263803 /nfs/dbraw/zinc/26/38/03/315263803.db2.gz MYMRTFXLCOIXPN-UHFFFAOYSA-N 2 2 306.841 3.114 20 0 DGADLP CO[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000565787718 315287773 /nfs/dbraw/zinc/28/77/73/315287773.db2.gz PAECPLJIMLQAHF-SFHVURJKSA-N 2 2 311.429 3.346 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3=CCCCC3)c2cc1C ZINC000566122233 315314689 /nfs/dbraw/zinc/31/46/89/315314689.db2.gz BVADQGNFAJAIST-QGZVFWFLSA-N 2 2 313.445 3.104 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566170927 315319468 /nfs/dbraw/zinc/31/94/68/315319468.db2.gz WCJOXJANHBYVQQ-FUHWJXTLSA-N 3 2 301.478 3.175 20 0 DGADLP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1F ZINC000566338306 315336200 /nfs/dbraw/zinc/33/62/00/315336200.db2.gz AILKRENZRVVQPA-IFXJQAMLSA-N 2 2 320.452 3.244 20 0 DGADLP C[C@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000566424248 315344337 /nfs/dbraw/zinc/34/43/37/315344337.db2.gz JVHKKHJDBXCXSO-MSOLQXFVSA-N 2 2 316.489 3.193 20 0 DGADLP C[C@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000566424248 315344340 /nfs/dbraw/zinc/34/43/40/315344340.db2.gz JVHKKHJDBXCXSO-MSOLQXFVSA-N 2 2 316.489 3.193 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@@H+]2CCC(C)(C)C2)[nH+]1 ZINC000566443098 315347353 /nfs/dbraw/zinc/34/73/53/315347353.db2.gz YETYDYXDFGIGIO-UHFFFAOYSA-N 2 2 312.417 3.056 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@H+]2CCC(C)(C)C2)[nH+]1 ZINC000566443098 315347358 /nfs/dbraw/zinc/34/73/58/315347358.db2.gz YETYDYXDFGIGIO-UHFFFAOYSA-N 2 2 312.417 3.056 20 0 DGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000567368167 315416895 /nfs/dbraw/zinc/41/68/95/315416895.db2.gz NTOCQDUNYSQYSN-NZSAHSFTSA-N 2 2 313.445 3.169 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000569603214 315591713 /nfs/dbraw/zinc/59/17/13/315591713.db2.gz YAYNVLALRZKTGW-KDOFPFPSSA-N 2 2 312.417 3.231 20 0 DGADLP COc1cc(F)c(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000570049678 315621185 /nfs/dbraw/zinc/62/11/85/315621185.db2.gz QBMRUAUIAMGSAF-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000570460931 315651075 /nfs/dbraw/zinc/65/10/75/315651075.db2.gz JFVVRSZAIDHNAR-CQSZACIVSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)CC[C@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000570795571 315675363 /nfs/dbraw/zinc/67/53/63/315675363.db2.gz YQBYSLHLZDSKGE-AWEZNQCLSA-N 2 2 321.852 3.412 20 0 DGADLP Fc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(F)c1 ZINC000574590942 315981970 /nfs/dbraw/zinc/98/19/70/315981970.db2.gz CQBIAOJDCRWFPE-UHFFFAOYSA-N 2 2 300.312 3.217 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000574989025 316022216 /nfs/dbraw/zinc/02/22/16/316022216.db2.gz BIDGDZLSHIUAAY-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000574989025 316022219 /nfs/dbraw/zinc/02/22/19/316022219.db2.gz BIDGDZLSHIUAAY-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575889023 316073043 /nfs/dbraw/zinc/07/30/43/316073043.db2.gz ALVJCXZYNUMZKM-HZPDHXFCSA-N 2 2 301.478 3.028 20 0 DGADLP Cn1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000576695610 316157305 /nfs/dbraw/zinc/15/73/05/316157305.db2.gz QYPFNYMPMNLKME-ZMSDIMECSA-N 2 2 318.852 3.022 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)sc2c1 ZINC000576789564 316167833 /nfs/dbraw/zinc/16/78/33/316167833.db2.gz MDLRTSNKABLFGO-ZDUSSCGKSA-N 2 2 319.474 3.125 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)sc2c1 ZINC000576789564 316167836 /nfs/dbraw/zinc/16/78/36/316167836.db2.gz MDLRTSNKABLFGO-ZDUSSCGKSA-N 2 2 319.474 3.125 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000576954111 316186599 /nfs/dbraw/zinc/18/65/99/316186599.db2.gz FTFYAFCBDHLZLB-QGZVFWFLSA-N 2 2 322.880 3.152 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000577048246 316195910 /nfs/dbraw/zinc/19/59/10/316195910.db2.gz MXSCHYMTMGRNMK-BZSNNMDCSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000577048246 316195912 /nfs/dbraw/zinc/19/59/12/316195912.db2.gz MXSCHYMTMGRNMK-BZSNNMDCSA-N 2 2 300.446 3.289 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3c2cccc3Br)n1C ZINC000577963976 316289816 /nfs/dbraw/zinc/28/98/16/316289816.db2.gz VAQLZEMUILNUIK-OAHLLOKOSA-N 2 2 320.234 3.268 20 0 DGADLP COCC[N@@H+](CCCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179881999 323216144 /nfs/dbraw/zinc/21/61/44/323216144.db2.gz CIEBAMCHJABFCZ-UHFFFAOYSA-N 2 2 323.440 3.416 20 0 DGADLP C[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180414250 323228577 /nfs/dbraw/zinc/22/85/77/323228577.db2.gz CWHLWKWDKXONGL-OAHLLOKOSA-N 2 2 306.413 3.175 20 0 DGADLP C[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180414250 323228580 /nfs/dbraw/zinc/22/85/80/323228580.db2.gz CWHLWKWDKXONGL-OAHLLOKOSA-N 2 2 306.413 3.175 20 0 DGADLP CCC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180454403 323230075 /nfs/dbraw/zinc/23/00/75/323230075.db2.gz RNWSQMPODMURML-QUCCMNQESA-N 2 2 316.489 3.224 20 0 DGADLP CCC[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180454403 323230077 /nfs/dbraw/zinc/23/00/77/323230077.db2.gz RNWSQMPODMURML-QUCCMNQESA-N 2 2 316.489 3.224 20 0 DGADLP Cc1c(Br)cccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181103574 323245918 /nfs/dbraw/zinc/24/59/18/323245918.db2.gz ZPVHQKONVBKIGA-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181103574 323245920 /nfs/dbraw/zinc/24/59/20/323245920.db2.gz ZPVHQKONVBKIGA-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1cccc2ccccc21 ZINC000181084282 323246228 /nfs/dbraw/zinc/24/62/28/323246228.db2.gz CVZXJLFACLVWKS-UHFFFAOYSA-N 2 2 309.413 3.437 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1cccc2ccccc21 ZINC000181084282 323246231 /nfs/dbraw/zinc/24/62/31/323246231.db2.gz CVZXJLFACLVWKS-UHFFFAOYSA-N 2 2 309.413 3.437 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(F)c1F ZINC000183214596 323330356 /nfs/dbraw/zinc/33/03/56/323330356.db2.gz IWAUGXUQXDIDCZ-MCIONIFRSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(Br)ccc1Cl)C[NH+](C)C ZINC000379850626 323610700 /nfs/dbraw/zinc/61/07/00/323610700.db2.gz DSBMQQSQWPNUNV-SNVBAGLBSA-N 2 2 319.674 3.390 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)n1cc[nH+]c1 ZINC000578538199 323748373 /nfs/dbraw/zinc/74/83/73/323748373.db2.gz PQKOTISBPKANSZ-LBPRGKRZSA-N 2 2 320.824 3.188 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[NH2+][C@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000578648678 323764943 /nfs/dbraw/zinc/76/49/43/323764943.db2.gz ATEUJIVEPVRWLY-BBRMVZONSA-N 2 2 311.385 3.119 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000580614797 324019028 /nfs/dbraw/zinc/01/90/28/324019028.db2.gz DWMAUVVRGDHODV-LPHOPBHVSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000580614797 324019032 /nfs/dbraw/zinc/01/90/32/324019032.db2.gz DWMAUVVRGDHODV-LPHOPBHVSA-N 2 2 302.462 3.323 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)ccc2n1C ZINC000580889927 324050408 /nfs/dbraw/zinc/05/04/08/324050408.db2.gz BUIMHIHDURNTMC-KZULUSFZSA-N 2 2 322.412 3.156 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828877 324157857 /nfs/dbraw/zinc/15/78/57/324157857.db2.gz UVFZNEIZNSKSEB-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828877 324157860 /nfs/dbraw/zinc/15/78/60/324157860.db2.gz UVFZNEIZNSKSEB-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000581828877 324157862 /nfs/dbraw/zinc/15/78/62/324157862.db2.gz UVFZNEIZNSKSEB-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000581828877 324157865 /nfs/dbraw/zinc/15/78/65/324157865.db2.gz UVFZNEIZNSKSEB-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000582070646 324185681 /nfs/dbraw/zinc/18/56/81/324185681.db2.gz RLOMBQFGIHIRSJ-UHFFFAOYSA-N 2 2 324.896 3.098 20 0 DGADLP Cc1cc(OCc2ccc(C[NH+]3CCOCC3)cc2)cc(C)[nH+]1 ZINC000582480424 324235260 /nfs/dbraw/zinc/23/52/60/324235260.db2.gz PLDVQTWGOCFXRB-UHFFFAOYSA-N 2 2 312.413 3.110 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3CC(C)(C)C3)c2cc1C ZINC000582482765 324235382 /nfs/dbraw/zinc/23/53/82/324235382.db2.gz UOODSVXTOZPZOR-INIZCTEOSA-N 2 2 315.461 3.040 20 0 DGADLP COc1ccc2nc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)sc2c1 ZINC000583268784 324333711 /nfs/dbraw/zinc/33/37/11/324333711.db2.gz VGFRNIJEPGYJET-DOMZBBRYSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)sc2c1 ZINC000583268784 324333713 /nfs/dbraw/zinc/33/37/13/324333713.db2.gz VGFRNIJEPGYJET-DOMZBBRYSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)sc2c1 ZINC000583268784 324333717 /nfs/dbraw/zinc/33/37/17/324333717.db2.gz VGFRNIJEPGYJET-DOMZBBRYSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)sc2c1 ZINC000583268784 324333718 /nfs/dbraw/zinc/33/37/18/324333718.db2.gz VGFRNIJEPGYJET-DOMZBBRYSA-N 2 2 319.474 3.077 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000583361866 324343447 /nfs/dbraw/zinc/34/34/47/324343447.db2.gz KYELKRNCHQDAPN-ZACQAIPSSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000583361866 324343449 /nfs/dbraw/zinc/34/34/49/324343449.db2.gz KYELKRNCHQDAPN-ZACQAIPSSA-N 2 2 316.493 3.053 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ccc1-c1ccccc1 ZINC000583377352 324345307 /nfs/dbraw/zinc/34/53/07/324345307.db2.gz RHZKMFBKLZOHNK-HXUWFJFHSA-N 2 2 324.468 3.207 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccc1-c1ccccc1 ZINC000583377352 324345311 /nfs/dbraw/zinc/34/53/11/324345311.db2.gz RHZKMFBKLZOHNK-HXUWFJFHSA-N 2 2 324.468 3.207 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)CC)o1 ZINC000584389074 337247533 /nfs/dbraw/zinc/24/75/33/337247533.db2.gz KQOJIEGSVNKGHW-NVXWUHKLSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)CC)o1 ZINC000584389074 337247534 /nfs/dbraw/zinc/24/75/34/337247534.db2.gz KQOJIEGSVNKGHW-NVXWUHKLSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)CC)o1 ZINC000584389074 337247535 /nfs/dbraw/zinc/24/75/35/337247535.db2.gz KQOJIEGSVNKGHW-NVXWUHKLSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)CC)o1 ZINC000584389074 337247536 /nfs/dbraw/zinc/24/75/36/337247536.db2.gz KQOJIEGSVNKGHW-NVXWUHKLSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)CC)o1 ZINC000584389073 337247642 /nfs/dbraw/zinc/24/76/42/337247642.db2.gz KQOJIEGSVNKGHW-DOTOQJQBSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)CC)o1 ZINC000584389073 337247643 /nfs/dbraw/zinc/24/76/43/337247643.db2.gz KQOJIEGSVNKGHW-DOTOQJQBSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)CC)o1 ZINC000584389073 337247644 /nfs/dbraw/zinc/24/76/44/337247644.db2.gz KQOJIEGSVNKGHW-DOTOQJQBSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)CC)o1 ZINC000584389073 337247645 /nfs/dbraw/zinc/24/76/45/337247645.db2.gz KQOJIEGSVNKGHW-DOTOQJQBSA-N 2 2 308.466 3.072 20 0 DGADLP COCc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000551174198 500823541 /nfs/dbraw/zinc/82/35/41/500823541.db2.gz DHEHUASWEQDAMZ-UHFFFAOYSA-N 2 2 311.429 3.305 20 0 DGADLP COc1cc(C[NH2+]CC[NH2+]C(C)(C)C)ccc1OC1CCCC1 ZINC000415085465 533875248 /nfs/dbraw/zinc/87/52/48/533875248.db2.gz QRDJTSRFZUTRTO-UHFFFAOYSA-N 2 2 320.477 3.494 20 0 DGADLP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)c(SC)cc1OC ZINC000415064102 533904573 /nfs/dbraw/zinc/90/45/73/533904573.db2.gz JSGMEXWHBGPCNX-CQSZACIVSA-N 2 2 324.490 3.033 20 0 DGADLP C[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000297598839 533940366 /nfs/dbraw/zinc/94/03/66/533940366.db2.gz JUISQCCWOJEOFO-QGZVFWFLSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000297598839 533940369 /nfs/dbraw/zinc/94/03/69/533940369.db2.gz JUISQCCWOJEOFO-QGZVFWFLSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553354 534081871 /nfs/dbraw/zinc/08/18/71/534081871.db2.gz WXHKEGMSVURSAW-VNHYZAJKSA-N 2 2 308.853 3.322 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553354 534081881 /nfs/dbraw/zinc/08/18/81/534081881.db2.gz WXHKEGMSVURSAW-VNHYZAJKSA-N 2 2 308.853 3.322 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000430656316 534130473 /nfs/dbraw/zinc/13/04/73/534130473.db2.gz SYAWKIBYGQGHHF-RHSMWYFYSA-N 2 2 309.413 3.033 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000430656316 534130483 /nfs/dbraw/zinc/13/04/83/534130483.db2.gz SYAWKIBYGQGHHF-RHSMWYFYSA-N 2 2 309.413 3.033 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000442788003 534195459 /nfs/dbraw/zinc/19/54/59/534195459.db2.gz ZAGUQXOASPJMHU-SJPCQFCGSA-N 2 2 311.429 3.365 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000442788003 534195466 /nfs/dbraw/zinc/19/54/66/534195466.db2.gz ZAGUQXOASPJMHU-SJPCQFCGSA-N 2 2 311.429 3.365 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[NH2+]C3(C)C)s2)cc1 ZINC000415051568 534218998 /nfs/dbraw/zinc/21/89/98/534218998.db2.gz ZXUBNJXLLNEMKY-HNNXBMFYSA-N 2 2 301.459 3.349 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCC(C)CC1 ZINC000157576751 519816061 /nfs/dbraw/zinc/81/60/61/519816061.db2.gz YFNNAIDPMBGTHF-ROUUACIJSA-N 2 2 306.498 3.008 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CSc4ccccc43)CC2)[nH+]c1 ZINC000317313757 534494861 /nfs/dbraw/zinc/49/48/61/534494861.db2.gz VGTZETVCHXHHCG-MRXNPFEDSA-N 2 2 311.454 3.487 20 0 DGADLP c1csc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCCC2)c1 ZINC000444126149 534524953 /nfs/dbraw/zinc/52/49/53/534524953.db2.gz ZLNNYFKHVYINOB-QGZVFWFLSA-N 2 2 324.453 3.362 20 0 DGADLP Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)s2)cc1 ZINC000415093344 534633060 /nfs/dbraw/zinc/63/30/60/534633060.db2.gz HXBHUROHSMMTGP-AWEZNQCLSA-N 2 2 322.861 3.147 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574150 534640367 /nfs/dbraw/zinc/64/03/67/534640367.db2.gz RUUGAANNHSIYIM-JKSUJKDBSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574150 534640370 /nfs/dbraw/zinc/64/03/70/534640370.db2.gz RUUGAANNHSIYIM-JKSUJKDBSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cnccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000295604072 534708403 /nfs/dbraw/zinc/70/84/03/534708403.db2.gz FUXDYCPASVFCOT-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)n1-c1ccccc1 ZINC000323475314 534741732 /nfs/dbraw/zinc/74/17/32/534741732.db2.gz MWWSSPQZBZLJPO-IAGOWNOFSA-N 2 2 313.445 3.069 20 0 DGADLP Cc1cccn2c(CN3C[C@@H](C)[NH2+]Cc4ccccc43)c[nH+]c12 ZINC000415108207 534843048 /nfs/dbraw/zinc/84/30/48/534843048.db2.gz WQOXQZGOMPHVKA-OAHLLOKOSA-N 2 2 306.413 3.141 20 0 DGADLP Cc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000154623310 525527066 /nfs/dbraw/zinc/52/70/66/525527066.db2.gz NFKQUBXTHCAXRC-HKUYNNGSSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000154623310 525527071 /nfs/dbraw/zinc/52/70/71/525527071.db2.gz NFKQUBXTHCAXRC-HKUYNNGSSA-N 2 2 309.457 3.390 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158262108 525540736 /nfs/dbraw/zinc/54/07/36/525540736.db2.gz RTZXFGOYGNXTMA-QFBILLFUSA-N 2 2 321.424 3.127 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000157628509 525633353 /nfs/dbraw/zinc/63/33/53/525633353.db2.gz JCQJACKDWVCBKJ-WWMYMODYSA-N 2 2 324.468 3.350 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000157628509 525633361 /nfs/dbraw/zinc/63/33/61/525633361.db2.gz JCQJACKDWVCBKJ-WWMYMODYSA-N 2 2 324.468 3.350 20 0 DGADLP Cc1ccc(-n2cc[nH+]c2)c(-c2nc([C@H]([NH3+])CC(C)C)no2)c1 ZINC000339395449 525914733 /nfs/dbraw/zinc/91/47/33/525914733.db2.gz QSSLKMDZIUWGJO-CQSZACIVSA-N 2 2 311.389 3.277 20 0 DGADLP c1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)onc1-c1ccccc1 ZINC000156318110 526399149 /nfs/dbraw/zinc/39/91/49/526399149.db2.gz JBFZZGNIFYSWDD-QGZVFWFLSA-N 2 2 321.380 3.390 20 0 DGADLP c1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)onc1-c1ccccc1 ZINC000156318110 526399157 /nfs/dbraw/zinc/39/91/57/526399157.db2.gz JBFZZGNIFYSWDD-QGZVFWFLSA-N 2 2 321.380 3.390 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000420367016 526619732 /nfs/dbraw/zinc/61/97/32/526619732.db2.gz RUQRMJMBFCOAIM-CQSZACIVSA-N 2 2 309.360 3.083 20 0 DGADLP c1sc(C2CC2)nc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000163277165 526630355 /nfs/dbraw/zinc/63/03/55/526630355.db2.gz NWMREBLEMZTXQZ-HNNXBMFYSA-N 2 2 301.415 3.069 20 0 DGADLP c1sc(C2CC2)nc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000163277165 526630361 /nfs/dbraw/zinc/63/03/61/526630361.db2.gz NWMREBLEMZTXQZ-HNNXBMFYSA-N 2 2 301.415 3.069 20 0 DGADLP Brc1ccc2[nH+]ccc(NCCn3cc[nH+]c3)c2c1 ZINC000302124585 526644539 /nfs/dbraw/zinc/64/45/39/526644539.db2.gz HXBORQQHUZUVHZ-UHFFFAOYSA-N 2 2 317.190 3.306 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415037670 526818437 /nfs/dbraw/zinc/81/84/37/526818437.db2.gz HCHHVAOTRVIQCF-KGLIPLIRSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415037670 526818442 /nfs/dbraw/zinc/81/84/42/526818442.db2.gz HCHHVAOTRVIQCF-KGLIPLIRSA-N 2 2 307.507 3.405 20 0 DGADLP CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CC[NH2+]CC1 ZINC000431083341 527898053 /nfs/dbraw/zinc/89/80/53/527898053.db2.gz LQEDLVZBHSWZMJ-UHFFFAOYSA-N 2 2 323.506 3.076 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CC[NH2+]CC1 ZINC000431083341 527898060 /nfs/dbraw/zinc/89/80/60/527898060.db2.gz LQEDLVZBHSWZMJ-UHFFFAOYSA-N 2 2 323.506 3.076 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1ccccc1F ZINC000435004803 527899496 /nfs/dbraw/zinc/89/94/96/527899496.db2.gz LESMTMXKRSZUOE-CABCVRRESA-N 2 2 308.466 3.476 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1ccccc1F ZINC000435004803 527899499 /nfs/dbraw/zinc/89/94/99/527899499.db2.gz LESMTMXKRSZUOE-CABCVRRESA-N 2 2 308.466 3.476 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccccc1F ZINC000435004803 527899507 /nfs/dbraw/zinc/89/95/07/527899507.db2.gz LESMTMXKRSZUOE-CABCVRRESA-N 2 2 308.466 3.476 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCSc1ccccc1F ZINC000435004803 527899513 /nfs/dbraw/zinc/89/95/13/527899513.db2.gz LESMTMXKRSZUOE-CABCVRRESA-N 2 2 308.466 3.476 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435612947 527922471 /nfs/dbraw/zinc/92/24/71/527922471.db2.gz IGCGWJHAIRTZHA-HNNXBMFYSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435612947 527922477 /nfs/dbraw/zinc/92/24/77/527922477.db2.gz IGCGWJHAIRTZHA-HNNXBMFYSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435612948 527923293 /nfs/dbraw/zinc/92/32/93/527923293.db2.gz IGCGWJHAIRTZHA-OAHLLOKOSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435612948 527923297 /nfs/dbraw/zinc/92/32/97/527923297.db2.gz IGCGWJHAIRTZHA-OAHLLOKOSA-N 2 2 323.868 3.051 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)n2)cc1 ZINC000430970001 528053919 /nfs/dbraw/zinc/05/39/19/528053919.db2.gz FQMDQLPEBKPQOO-XJKSGUPXSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)n2)cc1 ZINC000430970001 528053924 /nfs/dbraw/zinc/05/39/24/528053924.db2.gz FQMDQLPEBKPQOO-XJKSGUPXSA-N 2 2 314.433 3.029 20 0 DGADLP CCCN(CC[NH+]1CCCC1)c1[nH+]c2ccc(F)cc2n1C ZINC000431425943 528081324 /nfs/dbraw/zinc/08/13/24/528081324.db2.gz FJYSVKJTFLJBKH-UHFFFAOYSA-N 2 2 304.413 3.025 20 0 DGADLP CC[NH+](CC)CC1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000443513585 528095443 /nfs/dbraw/zinc/09/54/43/528095443.db2.gz XKJHEXVFZNZCFP-UHFFFAOYSA-N 2 2 318.440 3.271 20 0 DGADLP CCC[N@H+](Cc1ccc(C)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000157070534 528135256 /nfs/dbraw/zinc/13/52/56/528135256.db2.gz XZUVLRVETBLLET-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1ccc(C)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000157070534 528135261 /nfs/dbraw/zinc/13/52/61/528135261.db2.gz XZUVLRVETBLLET-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC(C)C[C@@H](C)C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415133687 528251201 /nfs/dbraw/zinc/25/12/01/528251201.db2.gz NLWOECVQQBXKFZ-GOSISDBHSA-N 3 2 317.521 3.252 20 0 DGADLP CC[NH+](CC)[C@@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000302691309 528259509 /nfs/dbraw/zinc/25/95/09/528259509.db2.gz ZOIVIUVAILYUJH-OAHLLOKOSA-N 2 2 313.445 3.472 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000430573505 528509825 /nfs/dbraw/zinc/50/98/25/528509825.db2.gz RJVHYFMGUHZHBN-NEPJUHHUSA-N 2 2 308.451 3.164 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000430573505 528509830 /nfs/dbraw/zinc/50/98/30/528509830.db2.gz RJVHYFMGUHZHBN-NEPJUHHUSA-N 2 2 308.451 3.164 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415042276 528677488 /nfs/dbraw/zinc/67/74/88/528677488.db2.gz QMBLZJZCQNCVSX-KRWDZBQOSA-N 2 2 306.450 3.104 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1OCC ZINC000415038414 528691152 /nfs/dbraw/zinc/69/11/52/528691152.db2.gz LVQSOTWBYRLOQZ-KRWDZBQOSA-N 2 2 306.450 3.104 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000322877012 528826904 /nfs/dbraw/zinc/82/69/04/528826904.db2.gz AIQCCVZEIABDDW-HOTGVXAUSA-N 2 2 312.461 3.163 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000322877012 528826908 /nfs/dbraw/zinc/82/69/08/528826908.db2.gz AIQCCVZEIABDDW-HOTGVXAUSA-N 2 2 312.461 3.163 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1sc(C)cc1Br ZINC000414811633 528949992 /nfs/dbraw/zinc/94/99/92/528949992.db2.gz QAEFWKIWYAQXOV-UHFFFAOYSA-N 2 2 305.285 3.426 20 0 DGADLP CC[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCOC1 ZINC000442875985 529165230 /nfs/dbraw/zinc/16/52/30/529165230.db2.gz QDMWVLJHXFCKDP-ZWKOTPCHSA-N 2 2 308.510 3.437 20 0 DGADLP CC(C)CC[C@H](O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107458 534944844 /nfs/dbraw/zinc/94/48/44/534944844.db2.gz BCRCNKMUUHRMHR-HNNXBMFYSA-N 2 2 324.431 3.132 20 0 DGADLP CC(C)CC[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107458 534944850 /nfs/dbraw/zinc/94/48/50/534944850.db2.gz BCRCNKMUUHRMHR-HNNXBMFYSA-N 2 2 324.431 3.132 20 0 DGADLP CC(C)CCn1nc(C[NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000449488207 534990238 /nfs/dbraw/zinc/99/02/38/534990238.db2.gz DSAPTKVKPVDJQP-UHFFFAOYSA-N 2 2 314.477 3.266 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107527 535525575 /nfs/dbraw/zinc/52/55/75/535525575.db2.gz QEOJEBSYQUHWMI-FZMZJTMJSA-N 2 2 312.379 3.413 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107527 535525579 /nfs/dbraw/zinc/52/55/79/535525579.db2.gz QEOJEBSYQUHWMI-FZMZJTMJSA-N 2 2 312.379 3.413 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358244 535598010 /nfs/dbraw/zinc/59/80/10/535598010.db2.gz RBEDBFZTPTZQEK-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358244 535598013 /nfs/dbraw/zinc/59/80/13/535598013.db2.gz RBEDBFZTPTZQEK-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CSC[C@@H]3C)c(C)c2)CC1 ZINC000449040775 535748313 /nfs/dbraw/zinc/74/83/13/535748313.db2.gz JVZALYFNDZIQEN-YJBOKZPZSA-N 2 2 319.518 3.300 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449638903 536008339 /nfs/dbraw/zinc/00/83/39/536008339.db2.gz MUMQQJRKMHDPEW-ROUUACIJSA-N 2 2 324.896 3.444 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1F ZINC000470319817 536522201 /nfs/dbraw/zinc/52/22/01/536522201.db2.gz VICYAQNMJVBCLN-JJRVBVJISA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1F ZINC000470319817 536522206 /nfs/dbraw/zinc/52/22/06/536522206.db2.gz VICYAQNMJVBCLN-JJRVBVJISA-N 2 2 308.441 3.085 20 0 DGADLP COc1cccc2c(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cccc12 ZINC000449258500 536932625 /nfs/dbraw/zinc/93/26/25/536932625.db2.gz NHJWJBCVTYPWIP-HNNXBMFYSA-N 2 2 307.397 3.150 20 0 DGADLP COc1cccc2c(N[C@H]3CCn4cc[nH+]c4C3)cc(C)[nH+]c12 ZINC000489942062 536933882 /nfs/dbraw/zinc/93/38/82/536933882.db2.gz YRGPFPDXSLOSBT-ZDUSSCGKSA-N 2 2 308.385 3.175 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@]2(C)CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000090188809 545824264 /nfs/dbraw/zinc/82/42/64/545824264.db2.gz JXSFFSMKQAHPSY-HKUYNNGSSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@]2(C)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000090188809 545824270 /nfs/dbraw/zinc/82/42/70/545824270.db2.gz JXSFFSMKQAHPSY-HKUYNNGSSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000119150408 545877877 /nfs/dbraw/zinc/87/78/77/545877877.db2.gz ICLDVROFVHLNTH-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000119150408 545877880 /nfs/dbraw/zinc/87/78/80/545877880.db2.gz ICLDVROFVHLNTH-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP COc1ccc2[nH+]c(N(C)CCCn3cc[nH+]c3C)ccc2c1 ZINC000120202642 545885367 /nfs/dbraw/zinc/88/53/67/545885367.db2.gz RCEQSYUKZYPSLJ-UHFFFAOYSA-N 2 2 310.401 3.275 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000123417895 545906058 /nfs/dbraw/zinc/90/60/58/545906058.db2.gz MMXPKVNYTYGUFY-RTBURBONSA-N 2 2 316.489 3.269 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000154157841 546014860 /nfs/dbraw/zinc/01/48/60/546014860.db2.gz KAVRRRWXBMDCPO-QAPCUYQASA-N 2 2 302.462 3.244 20 0 DGADLP CCC[NH+]1CCC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000156192889 546032361 /nfs/dbraw/zinc/03/23/61/546032361.db2.gz ADHFTLWMARLGNH-SFHVURJKSA-N 3 2 317.521 3.361 20 0 DGADLP CCC[NH+]1CCC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000156192889 546032365 /nfs/dbraw/zinc/03/23/65/546032365.db2.gz ADHFTLWMARLGNH-SFHVURJKSA-N 3 2 317.521 3.361 20 0 DGADLP Cc1csc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000162316529 546077467 /nfs/dbraw/zinc/07/74/67/546077467.db2.gz ZJRHONAZLHNCBT-CQSZACIVSA-N 2 2 316.474 3.162 20 0 DGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000166898081 546095458 /nfs/dbraw/zinc/09/54/58/546095458.db2.gz NURVYTAPAFOBEN-CYBMUJFWSA-N 2 2 300.406 3.142 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cn[nH]c2C)c1 ZINC000180157892 546142416 /nfs/dbraw/zinc/14/24/16/546142416.db2.gz DCSKUHDIOPJRGM-CQSZACIVSA-N 2 2 300.450 3.411 20 0 DGADLP CCc1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)nc(C)[nH+]1 ZINC000180431290 546145708 /nfs/dbraw/zinc/14/57/08/546145708.db2.gz JKODNLDUKMCSGC-UHFFFAOYSA-N 2 2 300.406 3.004 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993364 546307959 /nfs/dbraw/zinc/30/79/59/546307959.db2.gz KITKKVJTBXVRFJ-KEYYUXOJSA-N 2 2 300.450 3.332 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993364 546307963 /nfs/dbraw/zinc/30/79/63/546307963.db2.gz KITKKVJTBXVRFJ-KEYYUXOJSA-N 2 2 300.450 3.332 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@H]1[NH3+] ZINC000251796737 546330079 /nfs/dbraw/zinc/33/00/79/546330079.db2.gz NWHDRZVUGFFNNL-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@H]1[NH3+] ZINC000251796737 546330083 /nfs/dbraw/zinc/33/00/83/546330083.db2.gz NWHDRZVUGFFNNL-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1cc[nH+]cc1C)CC2 ZINC000279928410 546377573 /nfs/dbraw/zinc/37/75/73/546377573.db2.gz APFWDNAPHXTONU-KRWDZBQOSA-N 2 2 312.413 3.227 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000282378037 546392196 /nfs/dbraw/zinc/39/21/96/546392196.db2.gz QOAMRRLQSZEHAR-IBGZPJMESA-N 2 2 306.413 3.045 20 0 DGADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ncc[nH]1 ZINC000285943731 546400079 /nfs/dbraw/zinc/40/00/79/546400079.db2.gz FVAMPJZYDSKFCY-JYJNAYRXSA-N 2 2 312.461 3.217 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000312592652 546452867 /nfs/dbraw/zinc/45/28/67/546452867.db2.gz RAFZXQOLTKSCGV-AAEUAGOBSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000312592652 546452870 /nfs/dbraw/zinc/45/28/70/546452870.db2.gz RAFZXQOLTKSCGV-AAEUAGOBSA-N 2 2 319.276 3.345 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309898482 546451834 /nfs/dbraw/zinc/45/18/34/546451834.db2.gz OFNNFDBAVLWAAJ-KANFNMMFSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309898482 546451838 /nfs/dbraw/zinc/45/18/38/546451838.db2.gz OFNNFDBAVLWAAJ-KANFNMMFSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000318746267 546462968 /nfs/dbraw/zinc/46/29/68/546462968.db2.gz YJFOONXNVNQQDG-OTWHNJEPSA-N 2 2 302.462 3.371 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194843 546478673 /nfs/dbraw/zinc/47/86/73/546478673.db2.gz RTJQOKHUSQXVPE-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194843 546478678 /nfs/dbraw/zinc/47/86/78/546478678.db2.gz RTJQOKHUSQXVPE-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000400908724 546764701 /nfs/dbraw/zinc/76/47/01/546764701.db2.gz YDDGYKFBIHEVLC-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP [NH3+]CCC[N@@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000414737253 546788381 /nfs/dbraw/zinc/78/83/81/546788381.db2.gz ALYZTKGIOHYITC-CYBMUJFWSA-N 2 2 304.381 3.144 20 0 DGADLP [NH3+]CCC[N@H+]1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000414737253 546788386 /nfs/dbraw/zinc/78/83/86/546788386.db2.gz ALYZTKGIOHYITC-CYBMUJFWSA-N 2 2 304.381 3.144 20 0 DGADLP CCOc1ccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667474327 547194912 /nfs/dbraw/zinc/19/49/12/547194912.db2.gz GFFPZQIHQGQNKH-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CCOc1ccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667474327 547194916 /nfs/dbraw/zinc/19/49/16/547194916.db2.gz GFFPZQIHQGQNKH-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)n1C ZINC000667533202 547214009 /nfs/dbraw/zinc/21/40/09/547214009.db2.gz JSZFQRNMDCRKKU-UHFFFAOYSA-N 2 2 301.409 3.322 20 0 DGADLP COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667536213 547215903 /nfs/dbraw/zinc/21/59/03/547215903.db2.gz RPDROVXSEUSPIK-INIZCTEOSA-N 2 2 311.429 3.045 20 0 DGADLP COc1cccc(C[C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667536213 547215909 /nfs/dbraw/zinc/21/59/09/547215909.db2.gz RPDROVXSEUSPIK-INIZCTEOSA-N 2 2 311.429 3.045 20 0 DGADLP c1[nH+]c2n(c1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)CCC2 ZINC000667549656 547221260 /nfs/dbraw/zinc/22/12/60/547221260.db2.gz SJOAAVNGTKXSFJ-SFHVURJKSA-N 2 2 311.429 3.011 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)CCC2 ZINC000667549656 547221265 /nfs/dbraw/zinc/22/12/65/547221265.db2.gz SJOAAVNGTKXSFJ-SFHVURJKSA-N 2 2 311.429 3.011 20 0 DGADLP Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667554838 547223883 /nfs/dbraw/zinc/22/38/83/547223883.db2.gz GPGNIAOZMASRHD-IBGZPJMESA-N 2 2 320.396 3.310 20 0 DGADLP Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667554838 547223886 /nfs/dbraw/zinc/22/38/86/547223886.db2.gz GPGNIAOZMASRHD-IBGZPJMESA-N 2 2 320.396 3.310 20 0 DGADLP Clc1ccc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667627921 547249490 /nfs/dbraw/zinc/24/94/90/547249490.db2.gz QKBSYXOPVXRLOE-AWEZNQCLSA-N 2 2 301.821 3.472 20 0 DGADLP Clc1ccc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667627921 547249493 /nfs/dbraw/zinc/24/94/93/547249493.db2.gz QKBSYXOPVXRLOE-AWEZNQCLSA-N 2 2 301.821 3.472 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)n1C ZINC000667670741 547268829 /nfs/dbraw/zinc/26/88/29/547268829.db2.gz XSRNXNRPAAKSOU-KXBFYZLASA-N 2 2 313.445 3.307 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)n1C ZINC000667670741 547268834 /nfs/dbraw/zinc/26/88/34/547268834.db2.gz XSRNXNRPAAKSOU-KXBFYZLASA-N 2 2 313.445 3.307 20 0 DGADLP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667680390 547271254 /nfs/dbraw/zinc/27/12/54/547271254.db2.gz GIEJRLSIZPCVNA-AWEZNQCLSA-N 2 2 316.474 3.358 20 0 DGADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667680390 547271258 /nfs/dbraw/zinc/27/12/58/547271258.db2.gz GIEJRLSIZPCVNA-AWEZNQCLSA-N 2 2 316.474 3.358 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)n1C ZINC000667686332 547274672 /nfs/dbraw/zinc/27/46/72/547274672.db2.gz BKIYRIQFBJPUDZ-CQSZACIVSA-N 2 2 305.809 3.035 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)n1C ZINC000667686332 547274675 /nfs/dbraw/zinc/27/46/75/547274675.db2.gz BKIYRIQFBJPUDZ-CQSZACIVSA-N 2 2 305.809 3.035 20 0 DGADLP c1csc([C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[NH+]2CCCC2)c1 ZINC000667761786 547295475 /nfs/dbraw/zinc/29/54/75/547295475.db2.gz CNIAGYHWNHUHJU-HRCADAONSA-N 2 2 306.475 3.042 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000667943992 547341087 /nfs/dbraw/zinc/34/10/87/547341087.db2.gz CRVMJVMYXHJAAR-PXAZEXFGSA-N 2 2 319.836 3.349 20 0 DGADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092057 547380867 /nfs/dbraw/zinc/38/08/67/547380867.db2.gz XHMFNWZWZYGQCW-FZMZJTMJSA-N 2 2 310.323 3.040 20 0 DGADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092057 547380869 /nfs/dbraw/zinc/38/08/69/547380869.db2.gz XHMFNWZWZYGQCW-FZMZJTMJSA-N 2 2 310.323 3.040 20 0 DGADLP FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)CC12CCC2 ZINC000668110862 547387067 /nfs/dbraw/zinc/38/70/67/547387067.db2.gz TXLPWTMSLHKWDW-CYBMUJFWSA-N 2 2 313.367 3.384 20 0 DGADLP FC(F)(F)[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CCC2 ZINC000668110862 547387072 /nfs/dbraw/zinc/38/70/72/547387072.db2.gz TXLPWTMSLHKWDW-CYBMUJFWSA-N 2 2 313.367 3.384 20 0 DGADLP CC1(CC(F)(F)F)C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668233526 547424398 /nfs/dbraw/zinc/42/43/98/547424398.db2.gz BBWUZXODDZVZBA-UHFFFAOYSA-N 2 2 310.323 3.042 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2F)n1C ZINC000668274174 547434253 /nfs/dbraw/zinc/43/42/53/547434253.db2.gz WTKMJBIVSXKNIG-GOSISDBHSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2F)n1C ZINC000668274174 547434254 /nfs/dbraw/zinc/43/42/54/547434254.db2.gz WTKMJBIVSXKNIG-GOSISDBHSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)n1C ZINC000668287068 547436748 /nfs/dbraw/zinc/43/67/48/547436748.db2.gz WDRWYROHLORABD-MRXNPFEDSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)n1C ZINC000668287068 547436751 /nfs/dbraw/zinc/43/67/51/547436751.db2.gz WDRWYROHLORABD-MRXNPFEDSA-N 2 2 301.409 3.465 20 0 DGADLP COc1ccccc1-c1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668539914 547475134 /nfs/dbraw/zinc/47/51/34/547475134.db2.gz PYSOFWFCRZWZRW-UHFFFAOYSA-N 2 2 310.441 3.356 20 0 DGADLP COc1ccccc1-c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668539914 547475137 /nfs/dbraw/zinc/47/51/37/547475137.db2.gz PYSOFWFCRZWZRW-UHFFFAOYSA-N 2 2 310.441 3.356 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000668618411 547495709 /nfs/dbraw/zinc/49/57/09/547495709.db2.gz QXOBHENJYPZXQQ-DLBZAZTESA-N 2 2 304.478 3.423 20 0 DGADLP CSc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000668785416 547541215 /nfs/dbraw/zinc/54/12/15/547541215.db2.gz PUKDYPHPCALAGC-ZDUSSCGKSA-N 2 2 314.520 3.013 20 0 DGADLP CSc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000668785416 547541220 /nfs/dbraw/zinc/54/12/20/547541220.db2.gz PUKDYPHPCALAGC-ZDUSSCGKSA-N 2 2 314.520 3.013 20 0 DGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986939 547766905 /nfs/dbraw/zinc/76/69/05/547766905.db2.gz ZTCYFQVEHVHBBJ-YJBOKZPZSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986939 547766908 /nfs/dbraw/zinc/76/69/08/547766908.db2.gz ZTCYFQVEHVHBBJ-YJBOKZPZSA-N 2 2 306.425 3.073 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671296296 547784392 /nfs/dbraw/zinc/78/43/92/547784392.db2.gz VMKDHKKVAZPBIQ-GIPAHHNCSA-N 2 2 314.473 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671296296 547784395 /nfs/dbraw/zinc/78/43/95/547784395.db2.gz VMKDHKKVAZPBIQ-GIPAHHNCSA-N 2 2 314.473 3.261 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)nc2)C[C@H]1n1cc[nH+]c1 ZINC000671306511 547786781 /nfs/dbraw/zinc/78/67/81/547786781.db2.gz AZYTYAMAHQDSBH-GOEBONIOSA-N 2 2 313.449 3.054 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C[C@H]1n1cc[nH+]c1 ZINC000671306511 547786786 /nfs/dbraw/zinc/78/67/86/547786786.db2.gz AZYTYAMAHQDSBH-GOEBONIOSA-N 2 2 313.449 3.054 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671750155 547826310 /nfs/dbraw/zinc/82/63/10/547826310.db2.gz GHXJQRDFFXNGKW-LBPRGKRZSA-N 2 2 312.373 3.081 20 0 DGADLP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)no1 ZINC000675495950 548225213 /nfs/dbraw/zinc/22/52/13/548225213.db2.gz OPZHYDXOXDKHMQ-HNNXBMFYSA-N 2 2 323.400 3.079 20 0 DGADLP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)no1 ZINC000675495950 548225218 /nfs/dbraw/zinc/22/52/18/548225218.db2.gz OPZHYDXOXDKHMQ-HNNXBMFYSA-N 2 2 323.400 3.079 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675766066 548266388 /nfs/dbraw/zinc/26/63/88/548266388.db2.gz HIVILEKREHFQLR-YJBOKZPZSA-N 2 2 317.477 3.211 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675766066 548266394 /nfs/dbraw/zinc/26/63/94/548266394.db2.gz HIVILEKREHFQLR-YJBOKZPZSA-N 2 2 317.477 3.211 20 0 DGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000675762263 548266416 /nfs/dbraw/zinc/26/64/16/548266416.db2.gz NWBVMOXKBGDONO-VQTJNVASSA-N 2 2 323.484 3.028 20 0 DGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000675762261 548266626 /nfs/dbraw/zinc/26/66/26/548266626.db2.gz NWBVMOXKBGDONO-PMACEKPBSA-N 2 2 323.484 3.028 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833796 548279928 /nfs/dbraw/zinc/27/99/28/548279928.db2.gz PBOFAHVREIQBLM-YJBOKZPZSA-N 2 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833796 548279931 /nfs/dbraw/zinc/27/99/31/548279931.db2.gz PBOFAHVREIQBLM-YJBOKZPZSA-N 2 2 310.445 3.007 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929021 548294980 /nfs/dbraw/zinc/29/49/80/548294980.db2.gz XCIOTMQXGXSCIJ-FUHIMQAGSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929021 548294982 /nfs/dbraw/zinc/29/49/82/548294982.db2.gz XCIOTMQXGXSCIJ-FUHIMQAGSA-N 2 2 309.457 3.438 20 0 DGADLP Brc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478532 548367626 /nfs/dbraw/zinc/36/76/26/548367626.db2.gz UJJWNJWPXYVDNQ-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478532 548367628 /nfs/dbraw/zinc/36/76/28/548367628.db2.gz UJJWNJWPXYVDNQ-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677749470 548549317 /nfs/dbraw/zinc/54/93/17/548549317.db2.gz JXSFFSMKQAHPSY-IEBWSBKVSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000677749470 548549321 /nfs/dbraw/zinc/54/93/21/548549321.db2.gz JXSFFSMKQAHPSY-IEBWSBKVSA-N 2 2 302.462 3.198 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000677806586 548558479 /nfs/dbraw/zinc/55/84/79/548558479.db2.gz GAUANQSAKKROMZ-GOSISDBHSA-N 2 2 322.880 3.418 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806568 548559096 /nfs/dbraw/zinc/55/90/96/548559096.db2.gz FMBCOGVSTQISFK-MSOLQXFVSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806568 548559100 /nfs/dbraw/zinc/55/91/00/548559100.db2.gz FMBCOGVSTQISFK-MSOLQXFVSA-N 2 2 304.478 3.300 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078515 548608888 /nfs/dbraw/zinc/60/88/88/548608888.db2.gz CMQKMWYGTLLMEZ-GMTAPVOTSA-N 2 2 318.305 3.143 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078515 548608891 /nfs/dbraw/zinc/60/88/91/548608891.db2.gz CMQKMWYGTLLMEZ-GMTAPVOTSA-N 2 2 318.305 3.143 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000678160210 548628710 /nfs/dbraw/zinc/62/87/10/548628710.db2.gz PNXHKTYFNDMEHZ-MRXNPFEDSA-N 2 2 314.433 3.293 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000678160210 548628713 /nfs/dbraw/zinc/62/87/13/548628713.db2.gz PNXHKTYFNDMEHZ-MRXNPFEDSA-N 2 2 314.433 3.293 20 0 DGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1 ZINC000678428649 548702530 /nfs/dbraw/zinc/70/25/30/548702530.db2.gz RDXXIPOIWBHWAA-CRAIPNDOSA-N 2 2 306.413 3.450 20 0 DGADLP CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602571 548737859 /nfs/dbraw/zinc/73/78/59/548737859.db2.gz CYKBPXMIOFOVKW-ROUUACIJSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602571 548737863 /nfs/dbraw/zinc/73/78/63/548737863.db2.gz CYKBPXMIOFOVKW-ROUUACIJSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602573 548737961 /nfs/dbraw/zinc/73/79/61/548737961.db2.gz CYKBPXMIOFOVKW-ZWKOTPCHSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602573 548737965 /nfs/dbraw/zinc/73/79/65/548737965.db2.gz CYKBPXMIOFOVKW-ZWKOTPCHSA-N 2 2 318.505 3.426 20 0 DGADLP COC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000678603709 548738771 /nfs/dbraw/zinc/73/87/71/548738771.db2.gz DRKSFSJYIWTXNJ-ZWKOTPCHSA-N 2 2 302.462 3.054 20 0 DGADLP COC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000678603709 548738774 /nfs/dbraw/zinc/73/87/74/548738774.db2.gz DRKSFSJYIWTXNJ-ZWKOTPCHSA-N 2 2 302.462 3.054 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678768693 548759685 /nfs/dbraw/zinc/75/96/85/548759685.db2.gz QFUCDYLUIOZKCJ-WDYCEAGBSA-N 2 2 302.462 3.010 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678768693 548759689 /nfs/dbraw/zinc/75/96/89/548759689.db2.gz QFUCDYLUIOZKCJ-WDYCEAGBSA-N 2 2 302.462 3.010 20 0 DGADLP COc1ccc(-c2nc(C[NH2+]C3CC[NH+](C)CC3)cs2)cc1 ZINC000679006613 548812062 /nfs/dbraw/zinc/81/20/62/548812062.db2.gz HBTCYGGKPQHURX-UHFFFAOYSA-N 2 2 317.458 3.003 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCCO1 ZINC000679114796 548831664 /nfs/dbraw/zinc/83/16/64/548831664.db2.gz OUUBGODWVGTAOK-CXAGYDPISA-N 2 2 303.381 3.059 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)CC3 ZINC000679340239 548881613 /nfs/dbraw/zinc/88/16/13/548881613.db2.gz CEGYBZWBXNZHIR-IRXDYDNUSA-N 2 2 323.484 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)CC3 ZINC000679340239 548881618 /nfs/dbraw/zinc/88/16/18/548881618.db2.gz CEGYBZWBXNZHIR-IRXDYDNUSA-N 2 2 323.484 3.408 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000679347410 548883188 /nfs/dbraw/zinc/88/31/88/548883188.db2.gz XSYBYTRKZZGTRB-ZRGWGRIASA-N 2 2 312.461 3.279 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000679347410 548883192 /nfs/dbraw/zinc/88/31/92/548883192.db2.gz XSYBYTRKZZGTRB-ZRGWGRIASA-N 2 2 312.461 3.279 20 0 DGADLP CCc1noc(C2CCC([NH2+][C@@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC000679374787 548888574 /nfs/dbraw/zinc/88/85/74/548888574.db2.gz LLRKIWHLQJHJAG-FHERZECASA-N 2 2 320.481 3.122 20 0 DGADLP CCc1noc(C2CCC([NH2+][C@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC000679374789 548888870 /nfs/dbraw/zinc/88/88/70/548888870.db2.gz LLRKIWHLQJHJAG-QQFBHYJXSA-N 2 2 320.481 3.122 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000679398239 548894312 /nfs/dbraw/zinc/89/43/12/548894312.db2.gz NLQQFONSPQGYGK-OAHLLOKOSA-N 2 2 311.429 3.102 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679573650 548919313 /nfs/dbraw/zinc/91/93/13/548919313.db2.gz BDKZXXCYEQAKCN-JTQLQIEISA-N 2 2 319.371 3.359 20 0 DGADLP C[N@@H+]1CC[C@H](C[NH2+]C2CSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679625474 548925364 /nfs/dbraw/zinc/92/53/64/548925364.db2.gz AUBRGOXXODXDCU-IAQYHMDHSA-N 2 2 314.857 3.177 20 0 DGADLP C[N@H+]1CC[C@H](C[NH2+]C2CSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679625474 548925368 /nfs/dbraw/zinc/92/53/68/548925368.db2.gz AUBRGOXXODXDCU-IAQYHMDHSA-N 2 2 314.857 3.177 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000679718307 548943750 /nfs/dbraw/zinc/94/37/50/548943750.db2.gz AORVBDDLYNSQTQ-OCCSQVGLSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000679718307 548943753 /nfs/dbraw/zinc/94/37/53/548943753.db2.gz AORVBDDLYNSQTQ-OCCSQVGLSA-N 2 2 303.837 3.461 20 0 DGADLP CCC1(O)CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680134212 549002031 /nfs/dbraw/zinc/00/20/31/549002031.db2.gz ZPEGUFSGZYGOBX-UHFFFAOYSA-N 2 2 305.447 3.107 20 0 DGADLP CC1(C)CC[C@H]([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000680345307 549034041 /nfs/dbraw/zinc/03/40/41/549034041.db2.gz AFYACJLSCNHTQV-AZUAARDMSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)CC[C@H]([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000680345307 549034044 /nfs/dbraw/zinc/03/40/44/549034044.db2.gz AFYACJLSCNHTQV-AZUAARDMSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)CC[C@@H]([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000680345311 549034334 /nfs/dbraw/zinc/03/43/34/549034334.db2.gz AFYACJLSCNHTQV-QUCCMNQESA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)CC[C@@H]([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000680345311 549034339 /nfs/dbraw/zinc/03/43/39/549034339.db2.gz AFYACJLSCNHTQV-QUCCMNQESA-N 2 2 316.489 3.182 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000680465167 549054937 /nfs/dbraw/zinc/05/49/37/549054937.db2.gz MKITUOHVBQGRLW-CCLIWJKGSA-N 2 2 320.521 3.292 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000680673191 549084322 /nfs/dbraw/zinc/08/43/22/549084322.db2.gz IBUSSKOORXIDHK-RHSMWYFYSA-N 2 2 320.452 3.087 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000680673191 549084323 /nfs/dbraw/zinc/08/43/23/549084323.db2.gz IBUSSKOORXIDHK-RHSMWYFYSA-N 2 2 320.452 3.087 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCOCC3CCC3)C2)cc1 ZINC000680936560 549130885 /nfs/dbraw/zinc/13/08/85/549130885.db2.gz UBFPJLSCUJMTLE-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCOCC3CCC3)C2)cc1 ZINC000680936560 549130887 /nfs/dbraw/zinc/13/08/87/549130887.db2.gz UBFPJLSCUJMTLE-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP CCOC(C)(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681984696 549272262 /nfs/dbraw/zinc/27/22/62/549272262.db2.gz AIRZKFARZFEVLG-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP CCOC(C)(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681984696 549272265 /nfs/dbraw/zinc/27/22/65/549272265.db2.gz AIRZKFARZFEVLG-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000682378689 549312401 /nfs/dbraw/zinc/31/24/01/549312401.db2.gz WCMOYMREWHGITO-QKLQHJQFSA-N 3 2 317.521 3.306 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000682779801 549372739 /nfs/dbraw/zinc/37/27/39/549372739.db2.gz NAPRFPQEYXDXQK-DLBZAZTESA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000682779801 549372741 /nfs/dbraw/zinc/37/27/41/549372741.db2.gz NAPRFPQEYXDXQK-DLBZAZTESA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000682779801 549372744 /nfs/dbraw/zinc/37/27/44/549372744.db2.gz NAPRFPQEYXDXQK-DLBZAZTESA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000682779801 549372746 /nfs/dbraw/zinc/37/27/46/549372746.db2.gz NAPRFPQEYXDXQK-DLBZAZTESA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000682779803 549373022 /nfs/dbraw/zinc/37/30/22/549373022.db2.gz NAPRFPQEYXDXQK-IAGOWNOFSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000682779803 549373025 /nfs/dbraw/zinc/37/30/25/549373025.db2.gz NAPRFPQEYXDXQK-IAGOWNOFSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000682779803 549373028 /nfs/dbraw/zinc/37/30/28/549373028.db2.gz NAPRFPQEYXDXQK-IAGOWNOFSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000682779803 549373030 /nfs/dbraw/zinc/37/30/30/549373030.db2.gz NAPRFPQEYXDXQK-IAGOWNOFSA-N 2 2 319.468 3.211 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000683014742 549414701 /nfs/dbraw/zinc/41/47/01/549414701.db2.gz VHYDRWLDVIMRLQ-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345467 549472055 /nfs/dbraw/zinc/47/20/55/549472055.db2.gz COAGRKRZYXGTLO-NXHRZFHOSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345467 549472059 /nfs/dbraw/zinc/47/20/59/549472059.db2.gz COAGRKRZYXGTLO-NXHRZFHOSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)[nH+]1 ZINC000684021046 549567969 /nfs/dbraw/zinc/56/79/69/549567969.db2.gz QHJLIGZZDIZQLG-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP COc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1OC ZINC000684355336 549615707 /nfs/dbraw/zinc/61/57/07/549615707.db2.gz YALXAVMRYMZZIL-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP COc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1OC ZINC000684355336 549615710 /nfs/dbraw/zinc/61/57/10/549615710.db2.gz YALXAVMRYMZZIL-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(Cn3cccn3)cc2)c[nH+]1 ZINC000684365422 549619280 /nfs/dbraw/zinc/61/92/80/549619280.db2.gz BDEMASABSCXEGB-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)[NH+](C)C)cc1 ZINC000684368409 549620176 /nfs/dbraw/zinc/62/01/76/549620176.db2.gz HVGPTOPJMJBSDB-FHWLQOOXSA-N 2 2 304.478 3.399 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000684371984 549621881 /nfs/dbraw/zinc/62/18/81/549621881.db2.gz UDBPCQLMQOOHED-RBUKOAKNSA-N 2 2 320.452 3.337 20 0 DGADLP COc1ccccc1OCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684376004 549622697 /nfs/dbraw/zinc/62/26/97/549622697.db2.gz DCKXUCLPVYRCOF-UHFFFAOYSA-N 2 2 314.429 3.390 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000684387222 549625626 /nfs/dbraw/zinc/62/56/26/549625626.db2.gz CQCJLYRQWWJELB-ATZDWAIDSA-N 2 2 317.477 3.154 20 0 DGADLP Oc1cccc2c(NCC[NH+]3Cc4ccccc4C3)cc[nH+]c12 ZINC000684572350 549663085 /nfs/dbraw/zinc/66/30/85/549663085.db2.gz XIQHOPDMMMLTLI-UHFFFAOYSA-N 2 2 305.381 3.368 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000684968349 549728266 /nfs/dbraw/zinc/72/82/66/549728266.db2.gz WIWFERUVCISIFJ-QGZVFWFLSA-N 2 2 323.440 3.078 20 0 DGADLP C[N@H+](Cc1nc2c(s1)CCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443821 549762000 /nfs/dbraw/zinc/76/20/00/549762000.db2.gz RHRIRWBYNBTMCM-PBWFPOADSA-N 2 2 305.491 3.079 20 0 DGADLP C[N@@H+](Cc1nc2c(s1)CCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443821 549762003 /nfs/dbraw/zinc/76/20/03/549762003.db2.gz RHRIRWBYNBTMCM-PBWFPOADSA-N 2 2 305.491 3.079 20 0 DGADLP C[NH+](Cc1nc2c(s1)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443821 549762005 /nfs/dbraw/zinc/76/20/05/549762005.db2.gz RHRIRWBYNBTMCM-PBWFPOADSA-N 2 2 305.491 3.079 20 0 DGADLP C[NH+](Cc1nc2c(s1)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443821 549762008 /nfs/dbraw/zinc/76/20/08/549762008.db2.gz RHRIRWBYNBTMCM-PBWFPOADSA-N 2 2 305.491 3.079 20 0 DGADLP CC[N@H+](Cc1nccn1C(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456474 549763348 /nfs/dbraw/zinc/76/33/48/549763348.db2.gz XZPANUDDVYJDAU-UHFFFAOYSA-N 2 2 322.403 3.362 20 0 DGADLP CC[N@@H+](Cc1nccn1C(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456474 549763350 /nfs/dbraw/zinc/76/33/50/549763350.db2.gz XZPANUDDVYJDAU-UHFFFAOYSA-N 2 2 322.403 3.362 20 0 DGADLP COCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000730816912 574536596 /nfs/dbraw/zinc/53/65/96/574536596.db2.gz DAYUKANEYLYMIK-IBGZPJMESA-N 2 2 310.441 3.164 20 0 DGADLP COCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000730816912 574536597 /nfs/dbraw/zinc/53/65/97/574536597.db2.gz DAYUKANEYLYMIK-IBGZPJMESA-N 2 2 310.441 3.164 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cn3cc(-c4ccccc4)cn3)C2)c[nH+]1 ZINC000738149035 574859875 /nfs/dbraw/zinc/85/98/75/574859875.db2.gz OKFWAUIMZBYDJM-GOSISDBHSA-N 2 2 307.401 3.041 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cn3cc(-c4ccccc4)cn3)C2)c[nH+]1 ZINC000738149035 574859876 /nfs/dbraw/zinc/85/98/76/574859876.db2.gz OKFWAUIMZBYDJM-GOSISDBHSA-N 2 2 307.401 3.041 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378810 574994116 /nfs/dbraw/zinc/99/41/16/574994116.db2.gz ZFYFIUYPYZFTQQ-RDJZCZTQSA-N 2 2 301.478 3.500 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(F)n1 ZINC000747935794 575552428 /nfs/dbraw/zinc/55/24/28/575552428.db2.gz NDSZPGXPZVTSNV-UHFFFAOYSA-N 2 2 315.436 3.469 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(F)n1 ZINC000747935794 575552430 /nfs/dbraw/zinc/55/24/30/575552430.db2.gz NDSZPGXPZVTSNV-UHFFFAOYSA-N 2 2 315.436 3.469 20 0 DGADLP Cc1nc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(C)s1 ZINC000750825093 575754133 /nfs/dbraw/zinc/75/41/33/575754133.db2.gz IPSZOLZLODNTTN-NSHDSACASA-N 2 2 313.430 3.191 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1 ZINC000750831114 575754915 /nfs/dbraw/zinc/75/49/15/575754915.db2.gz VOBHLYPEIYWMFW-CABCVRRESA-N 2 2 303.475 3.165 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000302334583 575972731 /nfs/dbraw/zinc/97/27/31/575972731.db2.gz GRTJMSXDMNCQFC-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000302334583 575972734 /nfs/dbraw/zinc/97/27/34/575972734.db2.gz GRTJMSXDMNCQFC-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP c1cc2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)c2[nH]1 ZINC000727466299 576126709 /nfs/dbraw/zinc/12/67/09/576126709.db2.gz HLESWFKSTDOSJH-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP CSC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000154277894 620655946 /nfs/dbraw/zinc/65/59/46/620655946.db2.gz QUOJOVHNAVDUAT-UHFFFAOYSA-N 2 2 321.534 3.453 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104955 617963391 /nfs/dbraw/zinc/96/33/91/617963391.db2.gz VTCKEDXTEXBSHE-RDJZCZTQSA-N 2 2 301.478 3.265 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104955 617963393 /nfs/dbraw/zinc/96/33/93/617963393.db2.gz VTCKEDXTEXBSHE-RDJZCZTQSA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104955 617963395 /nfs/dbraw/zinc/96/33/95/617963395.db2.gz VTCKEDXTEXBSHE-RDJZCZTQSA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104955 617963396 /nfs/dbraw/zinc/96/33/96/617963396.db2.gz VTCKEDXTEXBSHE-RDJZCZTQSA-N 2 2 301.478 3.265 20 0 DGADLP c1nn(C2CCC2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892233993 617991361 /nfs/dbraw/zinc/99/13/61/617991361.db2.gz AHEFIBYJVVHSDB-APWZRJJASA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892233993 617991363 /nfs/dbraw/zinc/99/13/63/617991363.db2.gz AHEFIBYJVVHSDB-APWZRJJASA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000892233993 617991367 /nfs/dbraw/zinc/99/13/67/617991367.db2.gz AHEFIBYJVVHSDB-APWZRJJASA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000892233993 617991370 /nfs/dbraw/zinc/99/13/70/617991370.db2.gz AHEFIBYJVVHSDB-APWZRJJASA-N 2 2 314.477 3.057 20 0 DGADLP c1cc2c(c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234840 617991380 /nfs/dbraw/zinc/99/13/80/617991380.db2.gz IZBGKRWIHWNWTI-VQIMIIECSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234840 617991382 /nfs/dbraw/zinc/99/13/82/617991382.db2.gz IZBGKRWIHWNWTI-VQIMIIECSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000892234840 617991387 /nfs/dbraw/zinc/99/13/87/617991387.db2.gz IZBGKRWIHWNWTI-VQIMIIECSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000892234840 617991390 /nfs/dbraw/zinc/99/13/90/617991390.db2.gz IZBGKRWIHWNWTI-VQIMIIECSA-N 2 2 312.457 3.070 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924541401 618080733 /nfs/dbraw/zinc/08/07/33/618080733.db2.gz MMKQCOPBBKTUBW-LJQANCHMSA-N 2 2 311.473 3.165 20 0 DGADLP Cc1nc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)sc1C ZINC000892527457 618099447 /nfs/dbraw/zinc/09/94/47/618099447.db2.gz RHZZITFBMOQZEO-UHFFFAOYSA-N 2 2 312.442 3.295 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925069965 618309637 /nfs/dbraw/zinc/30/96/37/618309637.db2.gz IJENDELGRLXNPY-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925069965 618309643 /nfs/dbraw/zinc/30/96/43/618309643.db2.gz IJENDELGRLXNPY-YLJYHZDGSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccn2c[nH+]cc12 ZINC000892820053 618318187 /nfs/dbraw/zinc/31/81/87/618318187.db2.gz PNOGPSIHRIEQKS-DOTOQJQBSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccn2c[nH+]cc12 ZINC000892820053 618318191 /nfs/dbraw/zinc/31/81/91/618318191.db2.gz PNOGPSIHRIEQKS-DOTOQJQBSA-N 2 2 321.428 3.052 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(C(C)C)c1C ZINC000894473052 618343531 /nfs/dbraw/zinc/34/35/31/618343531.db2.gz ZXEUOXUHDAJXMG-UHFFFAOYSA-N 2 2 306.498 3.389 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(C(C)C)c1C ZINC000894473052 618343538 /nfs/dbraw/zinc/34/35/38/618343538.db2.gz ZXEUOXUHDAJXMG-UHFFFAOYSA-N 2 2 306.498 3.389 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cn1 ZINC000894624226 618404307 /nfs/dbraw/zinc/40/43/07/618404307.db2.gz UQOOHHNMCZRMSX-LJQANCHMSA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cn1 ZINC000894624226 618404311 /nfs/dbraw/zinc/40/43/11/618404311.db2.gz UQOOHHNMCZRMSX-LJQANCHMSA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000894624226 618404315 /nfs/dbraw/zinc/40/43/15/618404315.db2.gz UQOOHHNMCZRMSX-LJQANCHMSA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000894624226 618404321 /nfs/dbraw/zinc/40/43/21/618404321.db2.gz UQOOHHNMCZRMSX-LJQANCHMSA-N 2 2 301.478 3.198 20 0 DGADLP CC1(O)CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000894657979 618409903 /nfs/dbraw/zinc/40/99/03/618409903.db2.gz CPFDQCXTLRMMFU-UHFFFAOYSA-N 2 2 319.836 3.309 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000893098513 618423959 /nfs/dbraw/zinc/42/39/59/618423959.db2.gz PTPVAMQEXOBIQS-DOTOQJQBSA-N 2 2 314.429 3.431 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000893098513 618423962 /nfs/dbraw/zinc/42/39/62/618423962.db2.gz PTPVAMQEXOBIQS-DOTOQJQBSA-N 2 2 314.429 3.431 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000925658769 618521913 /nfs/dbraw/zinc/52/19/13/618521913.db2.gz UQMQZHXUKYHSCC-YMRXKLBXSA-N 2 2 322.811 3.191 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H]3CCC[NH2+][C@H]3C)ccc2n1C1CC1 ZINC000925663873 618523403 /nfs/dbraw/zinc/52/34/03/618523403.db2.gz AVUCQMCLQZHIIV-BBRMVZONSA-N 2 2 312.461 3.164 20 0 DGADLP COCCCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925664598 618523759 /nfs/dbraw/zinc/52/37/59/618523759.db2.gz ZLJPPYKGLSZGOY-ZWKOTPCHSA-N 2 2 302.462 3.419 20 0 DGADLP CCc1nc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC000895113031 618541153 /nfs/dbraw/zinc/54/11/53/618541153.db2.gz ZSBVWLUUJJIWOT-CTYIDZIISA-N 2 2 316.474 3.377 20 0 DGADLP CCc1onc(C)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895131547 618546700 /nfs/dbraw/zinc/54/67/00/618546700.db2.gz IXTGOWSESVCUCO-SHTZXODSSA-N 2 2 314.433 3.217 20 0 DGADLP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893487946 618570128 /nfs/dbraw/zinc/57/01/28/618570128.db2.gz OVBXJMDDVVYXND-CABCVRRESA-N 2 2 306.450 3.421 20 0 DGADLP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893487946 618570131 /nfs/dbraw/zinc/57/01/31/618570131.db2.gz OVBXJMDDVVYXND-CABCVRRESA-N 2 2 306.450 3.421 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1Cl ZINC000893488931 618570826 /nfs/dbraw/zinc/57/08/26/618570826.db2.gz VTRNUTGPBCQJGO-GXTWGEPZSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1Cl ZINC000893488931 618570828 /nfs/dbraw/zinc/57/08/28/618570828.db2.gz VTRNUTGPBCQJGO-GXTWGEPZSA-N 2 2 324.900 3.125 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccccc1OCc1ccccn1)[NH+](C)C ZINC000895300404 618590604 /nfs/dbraw/zinc/59/06/04/618590604.db2.gz WXDNGCOJWHVEDY-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925749524 618593656 /nfs/dbraw/zinc/59/36/56/618593656.db2.gz CAQLSJSXTFCQGK-HNNXBMFYSA-N 2 2 313.470 3.383 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925749524 618593658 /nfs/dbraw/zinc/59/36/58/618593658.db2.gz CAQLSJSXTFCQGK-HNNXBMFYSA-N 2 2 313.470 3.383 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CCCCc3ccccc31)C2 ZINC000925749391 618593794 /nfs/dbraw/zinc/59/37/94/618593794.db2.gz WXHAXGUUTPAPLB-MRXNPFEDSA-N 2 2 313.470 3.428 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCCCc3ccccc31)C2 ZINC000925749391 618593797 /nfs/dbraw/zinc/59/37/97/618593797.db2.gz WXHAXGUUTPAPLB-MRXNPFEDSA-N 2 2 313.470 3.428 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925777239 618616483 /nfs/dbraw/zinc/61/64/83/618616483.db2.gz CRRMDXNQIMJOIM-HZMBPMFUSA-N 2 2 304.331 3.250 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780080 618617754 /nfs/dbraw/zinc/61/77/54/618617754.db2.gz RSQYXUKATHXALQ-QWRGUYRKSA-N 2 2 318.795 3.244 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795273 618621419 /nfs/dbraw/zinc/62/14/19/618621419.db2.gz OHMGUCKVFRKWIX-APWZRJJASA-N 2 2 316.489 3.448 20 0 DGADLP COc1cc(C)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1OC ZINC000893919630 618676088 /nfs/dbraw/zinc/67/60/88/618676088.db2.gz LQRBPYGXAVLIBK-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP COc1cc(C)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1OC ZINC000893919630 618676090 /nfs/dbraw/zinc/67/60/90/618676090.db2.gz LQRBPYGXAVLIBK-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044868 618698456 /nfs/dbraw/zinc/69/84/56/618698456.db2.gz LVIRMHCQOLLNAX-RDJZCZTQSA-N 2 2 320.477 3.317 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044868 618698458 /nfs/dbraw/zinc/69/84/58/618698458.db2.gz LVIRMHCQOLLNAX-RDJZCZTQSA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044868 618698461 /nfs/dbraw/zinc/69/84/61/618698461.db2.gz LVIRMHCQOLLNAX-RDJZCZTQSA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044868 618698462 /nfs/dbraw/zinc/69/84/62/618698462.db2.gz LVIRMHCQOLLNAX-RDJZCZTQSA-N 2 2 320.477 3.317 20 0 DGADLP Cc1cc(NC2CC[NH+](C3CCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000894108969 618712416 /nfs/dbraw/zinc/71/24/16/618712416.db2.gz ZKDRIOKNVNZQAC-UHFFFAOYSA-N 2 2 300.450 3.481 20 0 DGADLP Cc1csc(CCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000924920244 618739074 /nfs/dbraw/zinc/73/90/74/618739074.db2.gz MKGXCYUSTGLEOR-HZPDHXFCSA-N 2 2 307.507 3.381 20 0 DGADLP Cc1csc(CCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000924920244 618739075 /nfs/dbraw/zinc/73/90/75/618739075.db2.gz MKGXCYUSTGLEOR-HZPDHXFCSA-N 2 2 307.507 3.381 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895436285 618783878 /nfs/dbraw/zinc/78/38/78/618783878.db2.gz OSIGLCGVQRYUDN-KRWDZBQOSA-N 2 2 320.477 3.228 20 0 DGADLP Cc1cc(NCc2nc(C[NH+](C)C)cs2)c2ccccc2[nH+]1 ZINC000895483825 618791770 /nfs/dbraw/zinc/79/17/70/618791770.db2.gz CYVRNTIUSIUIRU-UHFFFAOYSA-N 2 2 312.442 3.095 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000895670395 618815904 /nfs/dbraw/zinc/81/59/04/618815904.db2.gz GDUOKKSFCCLYFQ-UHFFFAOYSA-N 2 2 324.415 3.391 20 0 DGADLP Cc1[nH+]cc(CN2CCC(C)([NH+]3CCC3)CC2)n1-c1ccccc1 ZINC000895671576 618816158 /nfs/dbraw/zinc/81/61/58/618816158.db2.gz QZJWCIQGQDOBMC-UHFFFAOYSA-N 2 2 324.472 3.241 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000895754287 618827562 /nfs/dbraw/zinc/82/75/62/618827562.db2.gz NWKKPPQEXAVRIN-UHFFFAOYSA-N 2 2 301.478 3.267 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000896195829 618884195 /nfs/dbraw/zinc/88/41/95/618884195.db2.gz UEUOYQHZTXCGEF-UHFFFAOYSA-N 2 2 310.445 3.294 20 0 DGADLP CC(C)O[C@H](C[NH2+]Cc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000896299106 618897747 /nfs/dbraw/zinc/89/77/47/618897747.db2.gz RSXCFWFDSPTZGT-LJQANCHMSA-N 2 2 313.445 3.404 20 0 DGADLP Clc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCn3cc[nH+]c31)COC2 ZINC000925168972 619064471 /nfs/dbraw/zinc/06/44/71/619064471.db2.gz JASASMHCRUDWRF-DOMZBBRYSA-N 2 2 317.820 3.275 20 0 DGADLP Clc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCn3cc[nH+]c31)COC2 ZINC000925168977 619064574 /nfs/dbraw/zinc/06/45/74/619064574.db2.gz JASASMHCRUDWRF-WFASDCNBSA-N 2 2 317.820 3.275 20 0 DGADLP CC(C)[NH+](CCCN[C@@H](C)c1cn2c([nH+]1)CCCC2)C(C)C ZINC000925198053 619073232 /nfs/dbraw/zinc/07/32/32/619073232.db2.gz XRHNPXJXUYEKOU-INIZCTEOSA-N 2 2 306.498 3.379 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(C)(C)O)cc1 ZINC000925233304 619088676 /nfs/dbraw/zinc/08/86/76/619088676.db2.gz UWHFARHGYYHAIU-OAHLLOKOSA-N 2 2 313.445 3.462 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925292446 619144666 /nfs/dbraw/zinc/14/46/66/619144666.db2.gz LXPFJYQFORVQGT-AXUOBQJMSA-N 2 2 320.452 3.244 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925292446 619144668 /nfs/dbraw/zinc/14/46/68/619144668.db2.gz LXPFJYQFORVQGT-AXUOBQJMSA-N 2 2 320.452 3.244 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)s1 ZINC000897615589 619167283 /nfs/dbraw/zinc/16/72/83/619167283.db2.gz YATKQLVMIJGKDD-CXUGXGMPSA-N 2 2 305.491 3.073 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)s1 ZINC000897615589 619167285 /nfs/dbraw/zinc/16/72/85/619167285.db2.gz YATKQLVMIJGKDD-CXUGXGMPSA-N 2 2 305.491 3.073 20 0 DGADLP CC1(C)CCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)O1 ZINC000898048416 619204626 /nfs/dbraw/zinc/20/46/26/619204626.db2.gz KTAKLXDEVZHPNZ-AWEZNQCLSA-N 2 2 305.447 3.371 20 0 DGADLP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)O1 ZINC000898048271 619204762 /nfs/dbraw/zinc/20/47/62/619204762.db2.gz HPFRMWYWAVKVFP-CQSZACIVSA-N 2 2 322.415 3.341 20 0 DGADLP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)O1 ZINC000898048270 619204824 /nfs/dbraw/zinc/20/48/24/619204824.db2.gz HPFRMWYWAVKVFP-AWEZNQCLSA-N 2 2 322.415 3.341 20 0 DGADLP CCO[C@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000926965672 619253594 /nfs/dbraw/zinc/25/35/94/619253594.db2.gz RXEJWNSPUQDMMY-SCRDCRAPSA-N 2 2 314.520 3.230 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924688979 619257746 /nfs/dbraw/zinc/25/77/46/619257746.db2.gz VXLLPPXSYHRDLP-GUDVDZBRSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924688979 619257747 /nfs/dbraw/zinc/25/77/47/619257747.db2.gz VXLLPPXSYHRDLP-GUDVDZBRSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924688979 619257748 /nfs/dbraw/zinc/25/77/48/619257748.db2.gz VXLLPPXSYHRDLP-GUDVDZBRSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924688979 619257752 /nfs/dbraw/zinc/25/77/52/619257752.db2.gz VXLLPPXSYHRDLP-GUDVDZBRSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924688978 619258066 /nfs/dbraw/zinc/25/80/66/619258066.db2.gz VXLLPPXSYHRDLP-CEXWTWQISA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924688978 619258070 /nfs/dbraw/zinc/25/80/70/619258070.db2.gz VXLLPPXSYHRDLP-CEXWTWQISA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924688978 619258071 /nfs/dbraw/zinc/25/80/71/619258071.db2.gz VXLLPPXSYHRDLP-CEXWTWQISA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924688978 619258074 /nfs/dbraw/zinc/25/80/74/619258074.db2.gz VXLLPPXSYHRDLP-CEXWTWQISA-N 3 2 307.526 3.248 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc2c1OCO2 ZINC000924731360 619270927 /nfs/dbraw/zinc/27/09/27/619270927.db2.gz UUKJAKDHHGBALJ-XJKSGUPXSA-N 2 2 315.417 3.377 20 0 DGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CNc1cccc[nH+]1 ZINC000901131953 619473896 /nfs/dbraw/zinc/47/38/96/619473896.db2.gz DXYGEBDPXOIRPM-UHFFFAOYSA-N 2 2 324.428 3.036 20 0 DGADLP CSC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000902412513 619629002 /nfs/dbraw/zinc/62/90/02/619629002.db2.gz CEEAGNCVPNVIEH-LBPRGKRZSA-N 2 2 304.381 3.190 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394001 619630876 /nfs/dbraw/zinc/63/08/76/619630876.db2.gz UHXMXFWWOGMERP-INIZCTEOSA-N 3 2 313.436 3.242 20 0 DGADLP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000902415134 619638067 /nfs/dbraw/zinc/63/80/67/619638067.db2.gz BOBOEWZOOQXYHN-NSHDSACASA-N 2 2 313.264 3.067 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000902472694 619638133 /nfs/dbraw/zinc/63/81/33/619638133.db2.gz FOAOQPLUUAUYOY-CBBWQLFWSA-N 2 2 309.251 3.383 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc2)c1 ZINC000902476266 619638504 /nfs/dbraw/zinc/63/85/04/619638504.db2.gz OMDVVRRVICECQV-BVOGOJNSSA-N 2 2 322.452 3.462 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902469562 619642286 /nfs/dbraw/zinc/64/22/86/619642286.db2.gz XNMAEJBOHHDBEA-CBNCNZKNSA-N 2 2 321.262 3.480 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c1C ZINC000902482434 619645558 /nfs/dbraw/zinc/64/55/58/619645558.db2.gz LDZXMXBECRISIW-DOTOQJQBSA-N 2 2 317.477 3.142 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902482782 619645753 /nfs/dbraw/zinc/64/57/53/619645753.db2.gz NNLPCFFDCTUBEO-UKRRQHHQSA-N 2 2 315.461 3.099 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000902758923 619671516 /nfs/dbraw/zinc/67/15/16/619671516.db2.gz LHHPDXJGYHCJFA-HNNXBMFYSA-N 2 2 315.417 3.109 20 0 DGADLP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902791086 619676863 /nfs/dbraw/zinc/67/68/63/619676863.db2.gz SYQXYAWDASUPDG-MRXNPFEDSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797770 619678164 /nfs/dbraw/zinc/67/81/64/619678164.db2.gz YTHWTNVCZWVFLV-VXGBXAGGSA-N 2 2 301.356 3.093 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797770 619678165 /nfs/dbraw/zinc/67/81/65/619678165.db2.gz YTHWTNVCZWVFLV-VXGBXAGGSA-N 2 2 301.356 3.093 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000902992479 619700219 /nfs/dbraw/zinc/70/02/19/619700219.db2.gz KVYZULXQPDPIRM-XAYKYTGQSA-N 2 2 311.429 3.189 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cn1 ZINC000902992779 619700894 /nfs/dbraw/zinc/70/08/94/619700894.db2.gz MPAXJBCEQVYTSZ-GXSJLCMTSA-N 2 2 310.323 3.032 20 0 DGADLP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccsc1 ZINC000903061538 619708238 /nfs/dbraw/zinc/70/82/38/619708238.db2.gz GIYXQRAENVSYLM-ONQFOCNCSA-N 2 2 319.518 3.098 20 0 DGADLP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccsc1 ZINC000903061538 619708239 /nfs/dbraw/zinc/70/82/39/619708239.db2.gz GIYXQRAENVSYLM-ONQFOCNCSA-N 2 2 319.518 3.098 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903047183 619710341 /nfs/dbraw/zinc/71/03/41/619710341.db2.gz IRUXAXOVERJBCS-BZSNNMDCSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903047183 619710344 /nfs/dbraw/zinc/71/03/44/619710344.db2.gz IRUXAXOVERJBCS-BZSNNMDCSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903047185 619710360 /nfs/dbraw/zinc/71/03/60/619710360.db2.gz IRUXAXOVERJBCS-KURKYZTESA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903047185 619710364 /nfs/dbraw/zinc/71/03/64/619710364.db2.gz IRUXAXOVERJBCS-KURKYZTESA-N 2 2 308.510 3.434 20 0 DGADLP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903051776 619710955 /nfs/dbraw/zinc/71/09/55/619710955.db2.gz WVVGJPAXMNNWIS-AWEZNQCLSA-N 2 2 321.428 3.334 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000903082560 619712515 /nfs/dbraw/zinc/71/25/15/619712515.db2.gz UOJLINBUNFXEDE-IPJCAIGPSA-N 2 2 318.505 3.187 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000903082560 619712518 /nfs/dbraw/zinc/71/25/18/619712518.db2.gz UOJLINBUNFXEDE-IPJCAIGPSA-N 2 2 318.505 3.187 20 0 DGADLP F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903192665 619733550 /nfs/dbraw/zinc/73/35/50/619733550.db2.gz QBNYNXNWTZKPEO-ROUSISIUSA-N 2 2 300.421 3.371 20 0 DGADLP F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903192665 619733551 /nfs/dbraw/zinc/73/35/51/619733551.db2.gz QBNYNXNWTZKPEO-ROUSISIUSA-N 2 2 300.421 3.371 20 0 DGADLP Fc1ccc2c(c1)onc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903214036 619739691 /nfs/dbraw/zinc/73/96/91/619739691.db2.gz RRSSYTZYPJVBHA-LQDVMPOASA-N 2 2 315.392 3.214 20 0 DGADLP Fc1ccc2c(c1)onc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903214036 619739692 /nfs/dbraw/zinc/73/96/92/619739692.db2.gz RRSSYTZYPJVBHA-LQDVMPOASA-N 2 2 315.392 3.214 20 0 DGADLP C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903295914 619752573 /nfs/dbraw/zinc/75/25/73/619752573.db2.gz DRDDVSZGZULEFQ-DNVCBOLYSA-N 2 2 313.445 3.464 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903527387 619783516 /nfs/dbraw/zinc/78/35/16/619783516.db2.gz XPCGSLPIULLKME-OTWHNJEPSA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903527387 619783518 /nfs/dbraw/zinc/78/35/18/619783518.db2.gz XPCGSLPIULLKME-OTWHNJEPSA-N 2 2 302.462 3.371 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903782856 619813049 /nfs/dbraw/zinc/81/30/49/619813049.db2.gz SPFFAFALDSKHOU-GOSISDBHSA-N 3 2 307.526 3.107 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000903843924 619822525 /nfs/dbraw/zinc/82/25/25/619822525.db2.gz XBTLSEXTLUMZQR-LOWVWBTDSA-N 2 2 305.472 3.183 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000903843924 619822528 /nfs/dbraw/zinc/82/25/28/619822528.db2.gz XBTLSEXTLUMZQR-LOWVWBTDSA-N 2 2 305.472 3.183 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903188 619831745 /nfs/dbraw/zinc/83/17/45/619831745.db2.gz SJKQSTDDCCKRFX-DGCLKSJQSA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903188 619831746 /nfs/dbraw/zinc/83/17/46/619831746.db2.gz SJKQSTDDCCKRFX-DGCLKSJQSA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@H](C[NH2+]C1(c2ccc(F)cc2F)CCCC1)CC(F)F ZINC000903902944 619832095 /nfs/dbraw/zinc/83/20/95/619832095.db2.gz PVXWMIDHUVUIBJ-NSHDSACASA-N 2 2 304.331 3.306 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910759 619833102 /nfs/dbraw/zinc/83/31/02/619833102.db2.gz PVQBNJUCRLDGRZ-YPMHNXCESA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910759 619833104 /nfs/dbraw/zinc/83/31/04/619833104.db2.gz PVQBNJUCRLDGRZ-YPMHNXCESA-N 2 2 322.321 3.477 20 0 DGADLP CC(C)(C)CC[C@@H]([NH3+])CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000904388710 619917362 /nfs/dbraw/zinc/91/73/62/619917362.db2.gz NQEXKRZZEFUMPL-OAHLLOKOSA-N 2 2 304.482 3.112 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000904430703 619921929 /nfs/dbraw/zinc/92/19/29/619921929.db2.gz TZTDFDXPDFLVKH-FQEVSTJZSA-N 2 2 324.472 3.114 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000904430703 619921931 /nfs/dbraw/zinc/92/19/31/619921931.db2.gz TZTDFDXPDFLVKH-FQEVSTJZSA-N 2 2 324.472 3.114 20 0 DGADLP c1cn(Cc2ccc(-c3cncc([C@H]4CCC[NH2+]4)c3)cc2)c[nH+]1 ZINC000906177550 620065787 /nfs/dbraw/zinc/06/57/87/620065787.db2.gz HWGXUSRCOOWEJZ-LJQANCHMSA-N 2 2 304.397 3.418 20 0 DGADLP c1ccc(CC[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000915228847 620574550 /nfs/dbraw/zinc/57/45/50/620574550.db2.gz KNAYQWJPQBWBCJ-UHFFFAOYSA-N 2 2 304.503 3.180 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921498853 620866444 /nfs/dbraw/zinc/86/64/44/620866444.db2.gz NOTVLYFIDHPXSM-UHFFFAOYSA-N 2 2 304.482 3.040 20 0 DGADLP CC(C)(C)c1coc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000921536541 620904393 /nfs/dbraw/zinc/90/43/93/620904393.db2.gz XWCGZSCAJRWQJE-UHFFFAOYSA-N 2 2 314.433 3.126 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921575751 620911316 /nfs/dbraw/zinc/91/13/16/620911316.db2.gz AMVMDXDLHBYKIH-KRWDZBQOSA-N 2 2 315.465 3.084 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cnn(C3CCC3)c2)c[nH+]1 ZINC000921589741 620912743 /nfs/dbraw/zinc/91/27/43/620912743.db2.gz PIIPBTGXLZHHGI-UHFFFAOYSA-N 2 2 307.401 3.084 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CC3(F)F)CC2)cc1 ZINC000856802750 621023469 /nfs/dbraw/zinc/02/34/69/621023469.db2.gz OBGOLAWNNLDTKM-CQSZACIVSA-N 2 2 323.431 3.356 20 0 DGADLP c1cn(-c2csc(C[NH2+]Cc3nc4c(s3)CCC4)c2)c[nH+]1 ZINC000922469479 621040979 /nfs/dbraw/zinc/04/09/79/621040979.db2.gz CEFBFMCTROYBFN-UHFFFAOYSA-N 2 2 316.455 3.169 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000922747244 621092843 /nfs/dbraw/zinc/09/28/43/621092843.db2.gz WRWMBBOWQYEHEG-MRXNPFEDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000922747244 621092845 /nfs/dbraw/zinc/09/28/45/621092845.db2.gz WRWMBBOWQYEHEG-MRXNPFEDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745828 621093013 /nfs/dbraw/zinc/09/30/13/621093013.db2.gz QASSYCXAILLGRN-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745828 621093017 /nfs/dbraw/zinc/09/30/17/621093017.db2.gz QASSYCXAILLGRN-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP Clc1ccc2c(n1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000857903815 621129687 /nfs/dbraw/zinc/12/96/87/621129687.db2.gz PHXHJQIOBHMVHW-HNNXBMFYSA-N 2 2 305.853 3.329 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000858115760 621154448 /nfs/dbraw/zinc/15/44/48/621154448.db2.gz KQUFSUCGEFXTLF-LJQANCHMSA-N 3 2 321.553 3.494 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC000858115760 621154451 /nfs/dbraw/zinc/15/44/51/621154451.db2.gz KQUFSUCGEFXTLF-LJQANCHMSA-N 3 2 321.553 3.494 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000858245665 621167632 /nfs/dbraw/zinc/16/76/32/621167632.db2.gz LNVOFEZOBBYOQB-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000858245665 621167634 /nfs/dbraw/zinc/16/76/34/621167634.db2.gz LNVOFEZOBBYOQB-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000753664402 621458377 /nfs/dbraw/zinc/45/83/77/621458377.db2.gz JYAQZHNNGBEAHF-NVXWUHKLSA-N 2 2 302.462 3.447 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000753664402 621458378 /nfs/dbraw/zinc/45/83/78/621458378.db2.gz JYAQZHNNGBEAHF-NVXWUHKLSA-N 2 2 302.462 3.447 20 0 DGADLP CC[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+](CC)CC ZINC000754500123 621513970 /nfs/dbraw/zinc/51/39/70/621513970.db2.gz JHGNBLCDUMGYBY-KRWDZBQOSA-N 2 2 315.417 3.036 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)c2)cc1 ZINC000755793262 621593837 /nfs/dbraw/zinc/59/38/37/621593837.db2.gz YXQRITMQRUDVKB-KRWDZBQOSA-N 2 2 321.428 3.039 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)c2)cc1 ZINC000755793262 621593840 /nfs/dbraw/zinc/59/38/40/621593840.db2.gz YXQRITMQRUDVKB-KRWDZBQOSA-N 2 2 321.428 3.039 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000863544714 621682333 /nfs/dbraw/zinc/68/23/33/621682333.db2.gz BYTBTOQSCIWULN-WCABBAIRSA-N 2 2 302.249 3.367 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCCCc1ccccc1 ZINC000863543109 621682409 /nfs/dbraw/zinc/68/24/09/621682409.db2.gz WAIKWTBNBKDMOD-HKUYNNGSSA-N 2 2 304.478 3.146 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2ccccc2F)cc1 ZINC000863645010 621693337 /nfs/dbraw/zinc/69/33/37/621693337.db2.gz ORZRSZSDFOICJH-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2ccccc2F)cc1 ZINC000863645010 621693339 /nfs/dbraw/zinc/69/33/39/621693339.db2.gz ORZRSZSDFOICJH-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2)nc1 ZINC000863644240 621693347 /nfs/dbraw/zinc/69/33/47/621693347.db2.gz OKNGVRZHNNHZEU-LJQANCHMSA-N 2 2 323.440 3.035 20 0 DGADLP Cc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000759346302 621848452 /nfs/dbraw/zinc/84/84/52/621848452.db2.gz WXOJIELUUBKMSU-IBGZPJMESA-N 2 2 315.505 3.300 20 0 DGADLP Cc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000759346302 621848454 /nfs/dbraw/zinc/84/84/54/621848454.db2.gz WXOJIELUUBKMSU-IBGZPJMESA-N 2 2 315.505 3.300 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000865406107 621911528 /nfs/dbraw/zinc/91/15/28/621911528.db2.gz ISNICJXMRWESBZ-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(CO)c1 ZINC000760158080 621918284 /nfs/dbraw/zinc/91/82/84/621918284.db2.gz UIPHXMWJLZBTTQ-RHSMWYFYSA-N 2 2 301.434 3.141 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C(C)(C)C ZINC000865573451 621954628 /nfs/dbraw/zinc/95/46/28/621954628.db2.gz HBHIJZDOLVOAHI-CQSZACIVSA-N 2 2 313.445 3.363 20 0 DGADLP C[C@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000865613219 621962244 /nfs/dbraw/zinc/96/22/44/621962244.db2.gz UZKWDBKQVTWCEG-SMDDNHRTSA-N 2 2 310.323 3.384 20 0 DGADLP Cc1nc(NCc2ccc(F)c(C[NH+](C)C)c2)c(C)c(C)[nH+]1 ZINC000761898348 622037910 /nfs/dbraw/zinc/03/79/10/622037910.db2.gz MCIHZVODJHTJTL-UHFFFAOYSA-N 2 2 302.397 3.215 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866206244 622066199 /nfs/dbraw/zinc/06/61/99/622066199.db2.gz CSZIOVZAVMVIBZ-GDBMZVCRSA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866206244 622066202 /nfs/dbraw/zinc/06/62/02/622066202.db2.gz CSZIOVZAVMVIBZ-GDBMZVCRSA-N 2 2 311.429 3.082 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866222596 622069437 /nfs/dbraw/zinc/06/94/37/622069437.db2.gz MEGWOEPTDBRYLA-MJGOQNOKSA-N 2 2 314.404 3.310 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2cccc(C)c2)CC1 ZINC000866263788 622079386 /nfs/dbraw/zinc/07/93/86/622079386.db2.gz TVBFINPPEVVFJG-QGZVFWFLSA-N 2 2 318.505 3.405 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866360665 622102432 /nfs/dbraw/zinc/10/24/32/622102432.db2.gz FZAARDVJERNMDU-VHSXEESVSA-N 2 2 316.792 3.412 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn(C(C)C)nc32)[C@H](C)C1 ZINC000765813207 622289513 /nfs/dbraw/zinc/28/95/13/622289513.db2.gz BQIZBJOXTBBWRB-HYVNUMGLSA-N 2 2 304.482 3.161 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn(C(C)C)nc32)[C@H](C)C1 ZINC000765813207 622289515 /nfs/dbraw/zinc/28/95/15/622289515.db2.gz BQIZBJOXTBBWRB-HYVNUMGLSA-N 2 2 304.482 3.161 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000766437056 622329783 /nfs/dbraw/zinc/32/97/83/622329783.db2.gz CYSKAKRVOFFFGK-CRAIPNDOSA-N 2 2 322.518 3.043 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000767414907 622397158 /nfs/dbraw/zinc/39/71/58/622397158.db2.gz LHDDPGPDMHSIQP-LPHOPBHVSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000767414907 622397160 /nfs/dbraw/zinc/39/71/60/622397160.db2.gz LHDDPGPDMHSIQP-LPHOPBHVSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414907 622397164 /nfs/dbraw/zinc/39/71/64/622397164.db2.gz LHDDPGPDMHSIQP-LPHOPBHVSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414907 622397166 /nfs/dbraw/zinc/39/71/66/622397166.db2.gz LHDDPGPDMHSIQP-LPHOPBHVSA-N 2 2 314.473 3.341 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769968087 622583480 /nfs/dbraw/zinc/58/34/80/622583480.db2.gz LYKJACXHHXEMRK-HIFRSBDPSA-N 2 2 324.490 3.051 20 0 DGADLP CC[NH+](CC)[C@@H](C(=O)OCC[NH+]1CCCCC1)c1ccccc1 ZINC000770370417 622625702 /nfs/dbraw/zinc/62/57/02/622625702.db2.gz QBYDEDWAWBEIFY-GOSISDBHSA-N 2 2 318.461 3.099 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000770402102 622630121 /nfs/dbraw/zinc/63/01/21/622630121.db2.gz ZEBPUVPBEJGHSH-UHFFFAOYSA-N 2 2 322.412 3.428 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872024813 622758277 /nfs/dbraw/zinc/75/82/77/622758277.db2.gz VYMFCEKNAOWPCQ-OWCLPIDISA-N 2 2 307.482 3.481 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087368 622798362 /nfs/dbraw/zinc/79/83/62/622798362.db2.gz IPJXMRRTDGNGRX-UKRRQHHQSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087368 622798365 /nfs/dbraw/zinc/79/83/65/622798365.db2.gz IPJXMRRTDGNGRX-UKRRQHHQSA-N 2 2 306.425 3.304 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000872131318 622824959 /nfs/dbraw/zinc/82/49/59/622824959.db2.gz QWZNTLIVTGFORD-NSHDSACASA-N 2 2 301.356 3.235 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000872132212 622825546 /nfs/dbraw/zinc/82/55/46/622825546.db2.gz CZQUMPLAFUXYAV-HFTRVMKXSA-N 2 2 316.493 3.479 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149248 622833316 /nfs/dbraw/zinc/83/33/16/622833316.db2.gz MYCQADSDIIDTKU-KBPBESRZSA-N 2 2 316.367 3.043 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149248 622833320 /nfs/dbraw/zinc/83/33/20/622833320.db2.gz MYCQADSDIIDTKU-KBPBESRZSA-N 2 2 316.367 3.043 20 0 DGADLP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158904 622840538 /nfs/dbraw/zinc/84/05/38/622840538.db2.gz ZBEWGTZZCCMJRB-DZGCQCFKSA-N 2 2 324.900 3.193 20 0 DGADLP Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158904 622840542 /nfs/dbraw/zinc/84/05/42/622840542.db2.gz ZBEWGTZZCCMJRB-DZGCQCFKSA-N 2 2 324.900 3.193 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(F)n2)CC1 ZINC000773088223 622981954 /nfs/dbraw/zinc/98/19/54/622981954.db2.gz OKIYFWYTMAXVPQ-YOEHRIQHSA-N 2 2 305.441 3.353 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236211 623086679 /nfs/dbraw/zinc/08/66/79/623086679.db2.gz YTADRQIZDTVWSW-CVEARBPZSA-N 2 2 317.477 3.080 20 0 DGADLP COCC(C)(C)CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000873279983 623102268 /nfs/dbraw/zinc/10/22/68/623102268.db2.gz NUNKGUXOHARDLS-ROUUACIJSA-N 2 2 320.477 3.141 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000774167822 623115532 /nfs/dbraw/zinc/11/55/32/623115532.db2.gz YJPANOVKTPRJDQ-FVCZOJIISA-N 2 2 314.473 3.324 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000774167822 623115533 /nfs/dbraw/zinc/11/55/33/623115533.db2.gz YJPANOVKTPRJDQ-FVCZOJIISA-N 2 2 314.473 3.324 20 0 DGADLP Cc1cc(Br)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000774965166 623211731 /nfs/dbraw/zinc/21/17/31/623211731.db2.gz YANJDUXVXSVQSU-GFCCVEGCSA-N 2 2 308.223 3.132 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[NH+]1CCCCC1 ZINC000775365566 623260405 /nfs/dbraw/zinc/26/04/05/623260405.db2.gz OVAHZZQKLYWWIE-QLFBSQMISA-N 2 2 314.564 3.220 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cn1 ZINC000775503396 623281555 /nfs/dbraw/zinc/28/15/55/623281555.db2.gz HQAWPQUHLOAAAR-XJKSGUPXSA-N 2 2 323.868 3.029 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000776164250 623387048 /nfs/dbraw/zinc/38/70/48/623387048.db2.gz YKUJLRIGPGQVPP-VIBAHUMZSA-N 2 2 311.429 3.336 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000776253969 623401752 /nfs/dbraw/zinc/40/17/52/623401752.db2.gz YOCONFVVMXXPJD-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000877024445 623768224 /nfs/dbraw/zinc/76/82/24/623768224.db2.gz DWUPTDZPVLRDID-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000877024445 623768228 /nfs/dbraw/zinc/76/82/28/623768228.db2.gz DWUPTDZPVLRDID-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877052573 623777078 /nfs/dbraw/zinc/77/70/78/623777078.db2.gz TZHUYDWAOJPAOD-IEBWSBKVSA-N 2 2 310.445 3.176 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877052573 623777081 /nfs/dbraw/zinc/77/70/81/623777081.db2.gz TZHUYDWAOJPAOD-IEBWSBKVSA-N 2 2 310.445 3.176 20 0 DGADLP Clc1ccc2sc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2n1 ZINC000877429526 623878124 /nfs/dbraw/zinc/87/81/24/623878124.db2.gz JIAAETVUNVIIJY-JTQLQIEISA-N 2 2 318.833 3.251 20 0 DGADLP COc1c(C)c[nH+]c(CNc2ccccc2CC[NH+](C)C)c1C ZINC000877461608 623892609 /nfs/dbraw/zinc/89/26/09/623892609.db2.gz CWFCRGCVMZNJDZ-UHFFFAOYSA-N 2 2 313.445 3.423 20 0 DGADLP Cl/C=C(\Cl)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780329693 623912210 /nfs/dbraw/zinc/91/22/10/623912210.db2.gz FKAURCXQSOHMHK-QINSGFPZSA-N 2 2 321.292 3.130 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000877656563 623979610 /nfs/dbraw/zinc/97/96/10/623979610.db2.gz MAVVILRUYGYZHB-HTZUNMPGSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000877656563 623979611 /nfs/dbraw/zinc/97/96/11/623979611.db2.gz MAVVILRUYGYZHB-HTZUNMPGSA-N 2 2 316.426 3.316 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)n1-c1ccccc1 ZINC000877737116 624010932 /nfs/dbraw/zinc/01/09/32/624010932.db2.gz CSMUXRPGALGBJX-HZPDHXFCSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)n1-c1ccccc1 ZINC000877737116 624010935 /nfs/dbraw/zinc/01/09/35/624010935.db2.gz CSMUXRPGALGBJX-HZPDHXFCSA-N 2 2 313.470 3.366 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740919 624013937 /nfs/dbraw/zinc/01/39/37/624013937.db2.gz LDUVABHEAQHXMS-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740919 624013945 /nfs/dbraw/zinc/01/39/45/624013945.db2.gz LDUVABHEAQHXMS-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740919 624013950 /nfs/dbraw/zinc/01/39/50/624013950.db2.gz LDUVABHEAQHXMS-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740919 624013956 /nfs/dbraw/zinc/01/39/56/624013956.db2.gz LDUVABHEAQHXMS-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc2s1 ZINC000877742396 624015340 /nfs/dbraw/zinc/01/53/40/624015340.db2.gz PBFJHDMZWWNZDA-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cc2s1 ZINC000877742396 624015345 /nfs/dbraw/zinc/01/53/45/624015345.db2.gz PBFJHDMZWWNZDA-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)cc2s1 ZINC000877742396 624015347 /nfs/dbraw/zinc/01/53/47/624015347.db2.gz PBFJHDMZWWNZDA-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)cc2s1 ZINC000877742396 624015354 /nfs/dbraw/zinc/01/53/54/624015354.db2.gz PBFJHDMZWWNZDA-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743189 624017201 /nfs/dbraw/zinc/01/72/01/624017201.db2.gz ITEKGOLESOFXJN-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743189 624017205 /nfs/dbraw/zinc/01/72/05/624017205.db2.gz ITEKGOLESOFXJN-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC(C)C ZINC000877743189 624017209 /nfs/dbraw/zinc/01/72/09/624017209.db2.gz ITEKGOLESOFXJN-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC(C)C ZINC000877743189 624017213 /nfs/dbraw/zinc/01/72/13/624017213.db2.gz ITEKGOLESOFXJN-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H](C)[NH+](C)C)CC2)cc1 ZINC000781894208 624165481 /nfs/dbraw/zinc/16/54/81/624165481.db2.gz FLTRWWUXXIUFHJ-DZIBYMRMSA-N 2 2 318.505 3.480 20 0 DGADLP CC1(C)CCc2onc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2C1 ZINC000878252840 624227836 /nfs/dbraw/zinc/22/78/36/624227836.db2.gz WKRBKVQSYOWNDR-ZDUSSCGKSA-N 2 2 314.433 3.292 20 0 DGADLP CC1(C)CCc2onc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2C1 ZINC000878252840 624227838 /nfs/dbraw/zinc/22/78/38/624227838.db2.gz WKRBKVQSYOWNDR-ZDUSSCGKSA-N 2 2 314.433 3.292 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782755864 624280170 /nfs/dbraw/zinc/28/01/70/624280170.db2.gz BHMJYBRRMJZKOU-RTBURBONSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000782759333 624280955 /nfs/dbraw/zinc/28/09/55/624280955.db2.gz HSQSNLWBIUNKOB-KXBFYZLASA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000782759333 624280957 /nfs/dbraw/zinc/28/09/57/624280957.db2.gz HSQSNLWBIUNKOB-KXBFYZLASA-N 2 2 302.462 3.227 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878521981 624297991 /nfs/dbraw/zinc/29/79/91/624297991.db2.gz HJWCBMIUCXEFKI-HHXXYDBFSA-N 2 2 316.445 3.191 20 0 DGADLP CC(C)(C)SCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551987 624305425 /nfs/dbraw/zinc/30/54/25/624305425.db2.gz KRQZXXSNQFHMAW-MRXNPFEDSA-N 2 2 314.539 3.095 20 0 DGADLP CC(C)(C)SCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551987 624305426 /nfs/dbraw/zinc/30/54/26/624305426.db2.gz KRQZXXSNQFHMAW-MRXNPFEDSA-N 2 2 314.539 3.095 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000783517651 624360461 /nfs/dbraw/zinc/36/04/61/624360461.db2.gz HBTYMVOAWUYUJH-WMLDXEAASA-N 2 2 305.491 3.092 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC000879453742 624552939 /nfs/dbraw/zinc/55/29/39/624552939.db2.gz OWOAVIWFMAAEHP-SFHVURJKSA-N 2 2 319.399 3.338 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC000879453742 624552943 /nfs/dbraw/zinc/55/29/43/624552943.db2.gz OWOAVIWFMAAEHP-SFHVURJKSA-N 2 2 319.399 3.338 20 0 DGADLP Cc1nc(CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cs1 ZINC000879950145 624729093 /nfs/dbraw/zinc/72/90/93/624729093.db2.gz HECQJVUAPMCNJK-UHFFFAOYSA-N 2 2 307.507 3.334 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880132638 624799917 /nfs/dbraw/zinc/79/99/17/624799917.db2.gz PWVFNKQZQTXLAA-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880132638 624799918 /nfs/dbraw/zinc/79/99/18/624799918.db2.gz PWVFNKQZQTXLAA-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880132638 624799919 /nfs/dbraw/zinc/79/99/19/624799919.db2.gz PWVFNKQZQTXLAA-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880132638 624799920 /nfs/dbraw/zinc/79/99/20/624799920.db2.gz PWVFNKQZQTXLAA-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133760 624801411 /nfs/dbraw/zinc/80/14/11/624801411.db2.gz QAICLICCFWNEIM-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133760 624801414 /nfs/dbraw/zinc/80/14/14/624801414.db2.gz QAICLICCFWNEIM-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000880133760 624801420 /nfs/dbraw/zinc/80/14/20/624801420.db2.gz QAICLICCFWNEIM-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000880133760 624801425 /nfs/dbraw/zinc/80/14/25/624801425.db2.gz QAICLICCFWNEIM-SJORKVTESA-N 2 2 308.853 3.277 20 0 DGADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136034 624802311 /nfs/dbraw/zinc/80/23/11/624802311.db2.gz DNFOBDCVAKYTOL-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136034 624802318 /nfs/dbraw/zinc/80/23/18/624802318.db2.gz DNFOBDCVAKYTOL-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C)OCc1ccccc1 ZINC000880136034 624802325 /nfs/dbraw/zinc/80/23/25/624802325.db2.gz DNFOBDCVAKYTOL-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C)OCc1ccccc1 ZINC000880136034 624802331 /nfs/dbraw/zinc/80/23/31/624802331.db2.gz DNFOBDCVAKYTOL-BHIYHBOVSA-N 2 2 302.462 3.150 20 0 DGADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209007 624842638 /nfs/dbraw/zinc/84/26/38/624842638.db2.gz XQRYOMUPBYJGEG-WMZOPIPTSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209007 624842643 /nfs/dbraw/zinc/84/26/43/624842643.db2.gz XQRYOMUPBYJGEG-WMZOPIPTSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1Cl ZINC000880257890 624873498 /nfs/dbraw/zinc/87/34/98/624873498.db2.gz AJVKDZFXBHBUOV-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1Cl ZINC000880257890 624873504 /nfs/dbraw/zinc/87/35/04/624873504.db2.gz AJVKDZFXBHBUOV-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP COc1cccc([C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880286081 624891106 /nfs/dbraw/zinc/89/11/06/624891106.db2.gz RRTVJHHETABVPS-GOSISDBHSA-N 2 2 313.445 3.239 20 0 DGADLP COc1cccc([C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2(C)C)c1 ZINC000880286081 624891110 /nfs/dbraw/zinc/89/11/10/624891110.db2.gz RRTVJHHETABVPS-GOSISDBHSA-N 2 2 313.445 3.239 20 0 DGADLP Cc1ccccc1C(N)=[NH+]OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000786731853 624949039 /nfs/dbraw/zinc/94/90/39/624949039.db2.gz GKRXRTLNLSSTKS-UHFFFAOYSA-N 2 2 315.392 3.113 20 0 DGADLP Cc1ccccc1C(N)=[NH+]OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000786731853 624949042 /nfs/dbraw/zinc/94/90/42/624949042.db2.gz GKRXRTLNLSSTKS-UHFFFAOYSA-N 2 2 315.392 3.113 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@H]2CC3(CCC3)CO2)c2ccccc2)c[nH+]1 ZINC000880569701 624979075 /nfs/dbraw/zinc/97/90/75/624979075.db2.gz IFOKHULDTHUIMG-MSOLQXFVSA-N 2 2 311.429 3.173 20 0 DGADLP O[C@@H](CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880570702 624979955 /nfs/dbraw/zinc/97/99/55/624979955.db2.gz ZMPJFOXBSYWDMZ-PMACEKPBSA-N 2 2 321.424 3.338 20 0 DGADLP Cc1cnccc1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570262 624980114 /nfs/dbraw/zinc/98/01/14/624980114.db2.gz VLQGCPWCTGURHK-LJQANCHMSA-N 2 2 306.413 3.160 20 0 DGADLP c1cc(C[N@@H+]2CCc3ncncc3C2)ccc1C[NH+]1CCCCC1 ZINC000880598258 624985359 /nfs/dbraw/zinc/98/53/59/624985359.db2.gz LTNUSKGEJRGNJY-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP c1cc(C[N@H+]2CCc3ncncc3C2)ccc1C[NH+]1CCCCC1 ZINC000880598258 624985361 /nfs/dbraw/zinc/98/53/61/624985361.db2.gz LTNUSKGEJRGNJY-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787282080 624995703 /nfs/dbraw/zinc/99/57/03/624995703.db2.gz IFZZKURSIQCBRB-ZDUSSCGKSA-N 2 2 309.417 3.073 20 0 DGADLP Clc1ccc2c(n1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000788626112 625231846 /nfs/dbraw/zinc/23/18/46/625231846.db2.gz KBGWLLIYSDOZNR-ZDUSSCGKSA-N 2 2 302.809 3.209 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1C ZINC000883093380 625924320 /nfs/dbraw/zinc/92/43/20/625924320.db2.gz SSGNZTITSPCUIZ-INIZCTEOSA-N 2 2 313.445 3.059 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000883186361 625959896 /nfs/dbraw/zinc/95/98/96/625959896.db2.gz QLRVWQTWTXHMEP-KUHUBIRLSA-N 2 2 320.452 3.366 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000883186361 625959899 /nfs/dbraw/zinc/95/98/99/625959899.db2.gz QLRVWQTWTXHMEP-KUHUBIRLSA-N 2 2 320.452 3.366 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)c1OC ZINC000796780153 626081925 /nfs/dbraw/zinc/08/19/25/626081925.db2.gz HZLGHGLYGXRJNQ-CABCVRRESA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)c1OC ZINC000796780153 626081928 /nfs/dbraw/zinc/08/19/28/626081928.db2.gz HZLGHGLYGXRJNQ-CABCVRRESA-N 2 2 320.477 3.017 20 0 DGADLP CC(C)(C)C(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405146 626356718 /nfs/dbraw/zinc/35/67/18/626356718.db2.gz BTRBPJKHAVZVPC-OAHLLOKOSA-N 2 2 317.477 3.404 20 0 DGADLP CC(C)(C)C(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405146 626356720 /nfs/dbraw/zinc/35/67/20/626356720.db2.gz BTRBPJKHAVZVPC-OAHLLOKOSA-N 2 2 317.477 3.404 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800487535 626364162 /nfs/dbraw/zinc/36/41/62/626364162.db2.gz GZMZBZPNLQDDOG-LPHOPBHVSA-N 2 2 317.477 3.056 20 0 DGADLP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000800896210 626383201 /nfs/dbraw/zinc/38/32/01/626383201.db2.gz COMGBCWRBFWUII-HXUWFJFHSA-N 2 2 321.424 3.312 20 0 DGADLP C[C@H]([NH2+]CC(F)(F)c1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000883283991 626636679 /nfs/dbraw/zinc/63/66/79/626636679.db2.gz BAPKIUJEDWEMLY-NSHDSACASA-N 2 2 318.358 3.377 20 0 DGADLP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883315408 626643542 /nfs/dbraw/zinc/64/35/42/626643542.db2.gz KQDJUGBAWJPHKW-KSZLIROESA-N 2 2 302.462 3.054 20 0 DGADLP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883315408 626643543 /nfs/dbraw/zinc/64/35/43/626643543.db2.gz KQDJUGBAWJPHKW-KSZLIROESA-N 2 2 302.462 3.054 20 0 DGADLP Oc1ccc(Cl)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000883325744 626647864 /nfs/dbraw/zinc/64/78/64/626647864.db2.gz JCUYDXALFPBCNI-UHFFFAOYSA-N 2 2 317.820 3.199 20 0 DGADLP F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883381662 626667487 /nfs/dbraw/zinc/66/74/87/626667487.db2.gz QWWOGYFDGIKKOX-OALUTQOASA-N 2 2 322.387 3.383 20 0 DGADLP C[C@@H](CSCCF)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387883 626669472 /nfs/dbraw/zinc/66/94/72/626669472.db2.gz HGRRIBWWDVXPDM-HOCLYGCPSA-N 2 2 307.438 3.305 20 0 DGADLP C[C@@H](CSCCF)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387882 626669642 /nfs/dbraw/zinc/66/96/42/626669642.db2.gz HGRRIBWWDVXPDM-GOEBONIOSA-N 2 2 307.438 3.305 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000883387754 626669723 /nfs/dbraw/zinc/66/97/23/626669723.db2.gz DTYFMEDBVYQMOF-MAUKXSAKSA-N 2 2 322.412 3.379 20 0 DGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCOC1 ZINC000883389413 626670169 /nfs/dbraw/zinc/67/01/69/626670169.db2.gz PXWNVGZXSDJGKZ-GBESFXJTSA-N 2 2 313.445 3.419 20 0 DGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCOC1 ZINC000883389411 626670218 /nfs/dbraw/zinc/67/02/18/626670218.db2.gz PXWNVGZXSDJGKZ-CEXWTWQISA-N 2 2 313.445 3.419 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000883449722 626684476 /nfs/dbraw/zinc/68/44/76/626684476.db2.gz HQEKVOGCFGZYRR-LJQANCHMSA-N 2 2 312.461 3.063 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000883449722 626684478 /nfs/dbraw/zinc/68/44/78/626684478.db2.gz HQEKVOGCFGZYRR-LJQANCHMSA-N 2 2 312.461 3.063 20 0 DGADLP CCC1([NH+]2CCC2)CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000884717777 626934943 /nfs/dbraw/zinc/93/49/43/626934943.db2.gz LJFIJVCBQZNMBT-UHFFFAOYSA-N 2 2 314.477 3.119 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccccc1 ZINC000810253200 626993466 /nfs/dbraw/zinc/99/34/66/626993466.db2.gz NZNBSIJNJYFTCF-ZFWWWQNUSA-N 2 2 321.428 3.112 20 0 DGADLP C([C@H]1CCC2(CCC2)CO1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000885958014 627069372 /nfs/dbraw/zinc/06/93/72/627069372.db2.gz BPLITDNIARNBRV-GOSISDBHSA-N 2 2 306.494 3.286 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000886155744 627114035 /nfs/dbraw/zinc/11/40/35/627114035.db2.gz NLXNVXAPYPYOBV-KURKYZTESA-N 2 2 306.494 3.475 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000886155744 627114037 /nfs/dbraw/zinc/11/40/37/627114037.db2.gz NLXNVXAPYPYOBV-KURKYZTESA-N 2 2 306.494 3.475 20 0 DGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886501236 627153581 /nfs/dbraw/zinc/15/35/81/627153581.db2.gz BTTUDLTWSXFECS-VIQWUECVSA-N 3 2 307.526 3.248 20 0 DGADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000886526129 627157301 /nfs/dbraw/zinc/15/73/01/627157301.db2.gz FRZUSXVUVDSION-USXIJHARSA-N 2 2 318.461 3.047 20 0 DGADLP COC(=O)c1cncc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000886534704 627158394 /nfs/dbraw/zinc/15/83/94/627158394.db2.gz MYGFMFARRHDTNT-HNNXBMFYSA-N 2 2 321.465 3.028 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)s1 ZINC000886662830 627183840 /nfs/dbraw/zinc/18/38/40/627183840.db2.gz MUYHNWYAMHCGBV-NSHDSACASA-N 2 2 305.451 3.127 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3ccn(C(C)C)n3)CC2)[nH+]c1C ZINC000886666199 627184301 /nfs/dbraw/zinc/18/43/01/627184301.db2.gz OPDJJFRSHLTJDD-UHFFFAOYSA-N 2 2 301.438 3.184 20 0 DGADLP C[C@H]1C[C@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000886693453 627192026 /nfs/dbraw/zinc/19/20/26/627192026.db2.gz BCKOROQOFKUMFU-ZYLYKIMZSA-N 2 2 313.489 3.174 20 0 DGADLP C[C@H]1C[C@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000886693453 627192029 /nfs/dbraw/zinc/19/20/29/627192029.db2.gz BCKOROQOFKUMFU-ZYLYKIMZSA-N 2 2 313.489 3.174 20 0 DGADLP [NH3+]CC[N@H+](CCCc1ccncc1)Cc1cccc(Cl)c1 ZINC000886863724 627211775 /nfs/dbraw/zinc/21/17/75/627211775.db2.gz PVHLYMKEDUOGJZ-UHFFFAOYSA-N 2 2 303.837 3.129 20 0 DGADLP [NH3+]CC[N@@H+](CCCc1ccncc1)Cc1cccc(Cl)c1 ZINC000886863724 627211776 /nfs/dbraw/zinc/21/17/76/627211776.db2.gz PVHLYMKEDUOGJZ-UHFFFAOYSA-N 2 2 303.837 3.129 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000886872487 627211808 /nfs/dbraw/zinc/21/18/08/627211808.db2.gz TYAFMLKDGGIIRT-LJQANCHMSA-N 2 2 311.429 3.307 20 0 DGADLP c1c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000886872487 627211811 /nfs/dbraw/zinc/21/18/11/627211811.db2.gz TYAFMLKDGGIIRT-LJQANCHMSA-N 2 2 311.429 3.307 20 0 DGADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cn2c(n1)CCCC2 ZINC000813324013 627477511 /nfs/dbraw/zinc/47/75/11/627477511.db2.gz YEFUPYAQAMNADN-ZDUSSCGKSA-N 2 2 304.482 3.179 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000813858425 627516795 /nfs/dbraw/zinc/51/67/95/627516795.db2.gz ZNGWCCQJZCUXMQ-GJYPPUQNSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000813858425 627516801 /nfs/dbraw/zinc/51/68/01/627516801.db2.gz ZNGWCCQJZCUXMQ-GJYPPUQNSA-N 2 2 320.452 3.367 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)c1ccccc1 ZINC000924535031 627646575 /nfs/dbraw/zinc/64/65/75/627646575.db2.gz YZVXFTBXYXHPGG-JFIYKMOQSA-N 2 2 304.478 3.330 20 0 DGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924586437 627652463 /nfs/dbraw/zinc/65/24/63/627652463.db2.gz JZPNYQPLRVYIMI-AWEZNQCLSA-N 2 2 314.433 3.215 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924629303 627660039 /nfs/dbraw/zinc/66/00/39/627660039.db2.gz QEZAJIYJJHNAID-AWEZNQCLSA-N 2 2 304.434 3.186 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnn1C1CCC1 ZINC000924645043 627661801 /nfs/dbraw/zinc/66/18/01/627661801.db2.gz CQCISFQQCROZAV-AWEZNQCLSA-N 2 2 313.449 3.034 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000924729280 627674534 /nfs/dbraw/zinc/67/45/34/627674534.db2.gz HPQOBEGOASDKPI-PMACEKPBSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c2)c1 ZINC000924729280 627674536 /nfs/dbraw/zinc/67/45/36/627674536.db2.gz HPQOBEGOASDKPI-PMACEKPBSA-N 2 2 324.472 3.038 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccnn1CC1CCC1 ZINC000924844227 627686267 /nfs/dbraw/zinc/68/62/67/627686267.db2.gz RGGXEPCFGLSSGV-OAHLLOKOSA-N 2 2 316.493 3.351 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924890729 627691017 /nfs/dbraw/zinc/69/10/17/627691017.db2.gz WCPFKWZMULLYRK-HRCADAONSA-N 2 2 319.493 3.146 20 0 DGADLP OCCC[C@H]1CCCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000924926697 627694271 /nfs/dbraw/zinc/69/42/71/627694271.db2.gz MKEWRXHPVMUIAT-IAGOWNOFSA-N 2 2 305.466 3.195 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1Cc1ccccc1 ZINC000925172060 627716045 /nfs/dbraw/zinc/71/60/45/627716045.db2.gz QZMVEYGYGAVVOS-NEWSRXKRSA-N 2 2 324.472 3.013 20 0 DGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1(Cl)CC1 ZINC000925181911 627716575 /nfs/dbraw/zinc/71/65/75/627716575.db2.gz ZJUSUAQYNBMTCN-UKRRQHHQSA-N 2 2 303.837 3.453 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)nc21 ZINC000925184379 627716617 /nfs/dbraw/zinc/71/66/17/627716617.db2.gz BUBAXSAMAACHQE-JKSUJKDBSA-N 2 2 313.445 3.285 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)nc21 ZINC000925184379 627716622 /nfs/dbraw/zinc/71/66/22/627716622.db2.gz BUBAXSAMAACHQE-JKSUJKDBSA-N 2 2 313.445 3.285 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000925230590 627721467 /nfs/dbraw/zinc/72/14/67/627721467.db2.gz YLXRTDMQIKMFRB-TUNPWDSISA-N 3 2 319.537 3.390 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000925230590 627721471 /nfs/dbraw/zinc/72/14/71/627721471.db2.gz YLXRTDMQIKMFRB-TUNPWDSISA-N 3 2 319.537 3.390 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925267797 627726211 /nfs/dbraw/zinc/72/62/11/627726211.db2.gz GDMDVWNLRYMRJP-RNQOJCNYSA-N 2 2 316.489 3.148 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000925267797 627726215 /nfs/dbraw/zinc/72/62/15/627726215.db2.gz GDMDVWNLRYMRJP-RNQOJCNYSA-N 2 2 316.489 3.148 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925292153 627728513 /nfs/dbraw/zinc/72/85/13/627728513.db2.gz IRZFXOONELCKJR-WCVJEAGWSA-N 2 2 308.491 3.167 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925292153 627728514 /nfs/dbraw/zinc/72/85/14/627728514.db2.gz IRZFXOONELCKJR-WCVJEAGWSA-N 2 2 308.491 3.167 20 0 DGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925516870 627745470 /nfs/dbraw/zinc/74/54/70/627745470.db2.gz TVBVCYVAZWQGPT-QGZVFWFLSA-N 2 2 315.461 3.045 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(-c2ccncc2)cc1 ZINC000925526210 627747496 /nfs/dbraw/zinc/74/74/96/627747496.db2.gz HIKWEZHEQXYKGK-YUKRFCOZSA-N 2 2 319.452 3.396 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)nc2c1 ZINC000925527564 627747759 /nfs/dbraw/zinc/74/77/59/627747759.db2.gz OKXOLBNYBSJKOR-CVEARBPZSA-N 2 2 312.461 3.129 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)[nH]c2c1 ZINC000925527564 627747762 /nfs/dbraw/zinc/74/77/62/627747762.db2.gz OKXOLBNYBSJKOR-CVEARBPZSA-N 2 2 312.461 3.129 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1nc(C(F)(F)F)cs1 ZINC000925527817 627747787 /nfs/dbraw/zinc/74/77/87/627747787.db2.gz RDQIKHAKIQHDBX-AEJSXWLSSA-N 2 2 319.396 3.473 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(-c2ccncc2)cc1 ZINC000925526206 627747825 /nfs/dbraw/zinc/74/78/25/627747825.db2.gz HIKWEZHEQXYKGK-FKPCCVSFSA-N 2 2 319.452 3.396 20 0 DGADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)[C@H]2C1 ZINC000925579423 627757995 /nfs/dbraw/zinc/75/79/95/627757995.db2.gz FNPCDJMEAOTIIK-YESZJQIVSA-N 2 2 324.534 3.038 20 0 DGADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)[C@H]2C1 ZINC000925579423 627757996 /nfs/dbraw/zinc/75/79/96/627757996.db2.gz FNPCDJMEAOTIIK-YESZJQIVSA-N 2 2 324.534 3.038 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925590571 627759808 /nfs/dbraw/zinc/75/98/08/627759808.db2.gz JIMGUJNGUGPKQJ-IRXDYDNUSA-N 2 2 324.472 3.223 20 0 DGADLP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000925611213 627762133 /nfs/dbraw/zinc/76/21/33/627762133.db2.gz KPQHMGWREAMFGI-BRWVUGGUSA-N 2 2 319.493 3.302 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000925621571 627764191 /nfs/dbraw/zinc/76/41/91/627764191.db2.gz IQVRWSUZRYFYCZ-FHWLQOOXSA-N 3 2 324.472 3.101 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000925638794 627766873 /nfs/dbraw/zinc/76/68/73/627766873.db2.gz GDGGFFOHLXONPP-FZQMEJGWSA-N 2 2 324.468 3.495 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000925678544 627775394 /nfs/dbraw/zinc/77/53/94/627775394.db2.gz VPDNMSBJQBNORY-WBMJQRKESA-N 2 2 323.362 3.321 20 0 DGADLP COc1ccccc1[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000925703687 627779077 /nfs/dbraw/zinc/77/90/77/627779077.db2.gz DUCRPNUURNYHIF-FQEVSTJZSA-N 2 2 323.440 3.031 20 0 DGADLP COc1ccccc1[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000925703687 627779082 /nfs/dbraw/zinc/77/90/82/627779082.db2.gz DUCRPNUURNYHIF-FQEVSTJZSA-N 2 2 323.440 3.031 20 0 DGADLP CC1(C)Cc2occc2[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925749497 627786421 /nfs/dbraw/zinc/78/64/21/627786421.db2.gz BMRGGGLGCKUBOX-ZDUSSCGKSA-N 2 2 317.458 3.267 20 0 DGADLP CC1(C)Cc2occc2[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925749497 627786424 /nfs/dbraw/zinc/78/64/24/627786424.db2.gz BMRGGGLGCKUBOX-ZDUSSCGKSA-N 2 2 317.458 3.267 20 0 DGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794121 627796447 /nfs/dbraw/zinc/79/64/47/627796447.db2.gz GUIUMDAFWLVTQZ-IEBWSBKVSA-N 2 2 314.473 3.202 20 0 DGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794122 627796671 /nfs/dbraw/zinc/79/66/71/627796671.db2.gz GUIUMDAFWLVTQZ-MJGOQNOKSA-N 2 2 314.473 3.202 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794520 627796737 /nfs/dbraw/zinc/79/67/37/627796737.db2.gz LSONXVSIRHKURR-MDZRGWNJSA-N 2 2 314.473 3.373 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C)cc1 ZINC000925798336 627796967 /nfs/dbraw/zinc/79/69/67/627796967.db2.gz WCYIUJPAVWGAJC-QZTJIDSGSA-N 2 2 302.462 3.194 20 0 DGADLP c1ccc([C@H](CC2CC2)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801039 627797170 /nfs/dbraw/zinc/79/71/70/627797170.db2.gz YVPDKFMYHNWUAP-MOPGFXCFSA-N 2 2 314.473 3.276 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccccc1 ZINC000925831764 627801583 /nfs/dbraw/zinc/80/15/83/627801583.db2.gz URPVMGWERBWBBL-ATGSNQNLSA-N 2 2 316.367 3.165 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCS[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000925861226 627807948 /nfs/dbraw/zinc/80/79/48/627807948.db2.gz OIMJQUAZKBYTGG-UWIFEVILSA-N 2 2 320.502 3.362 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000926170988 627854222 /nfs/dbraw/zinc/85/42/22/627854222.db2.gz MYJCGELKLBXCBH-UHFFFAOYSA-N 2 2 314.477 3.173 20 0 DGADLP Cc1cccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccn2)c1 ZINC000926202124 627860721 /nfs/dbraw/zinc/86/07/21/627860721.db2.gz BFRKLROMQBEAEX-LJQANCHMSA-N 2 2 306.413 3.045 20 0 DGADLP OC[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926428085 627894264 /nfs/dbraw/zinc/89/42/64/627894264.db2.gz GMFUJFWORPWSQD-RYQLBKOJSA-N 2 2 322.880 3.022 20 0 DGADLP OC[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926428085 627894265 /nfs/dbraw/zinc/89/42/65/627894265.db2.gz GMFUJFWORPWSQD-RYQLBKOJSA-N 2 2 322.880 3.022 20 0 DGADLP CCc1nnc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926460601 627899404 /nfs/dbraw/zinc/89/94/04/627899404.db2.gz BPZZNGVHLPLABC-GFCCVEGCSA-N 2 2 304.463 3.013 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1csc2ccccc21 ZINC000926503270 627906158 /nfs/dbraw/zinc/90/61/58/627906158.db2.gz KWEBENZKEBZZQU-HUUCEWRRSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1csc2ccccc21 ZINC000926503270 627906159 /nfs/dbraw/zinc/90/61/59/627906159.db2.gz KWEBENZKEBZZQU-HUUCEWRRSA-N 2 2 318.486 3.399 20 0 DGADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580354 627917079 /nfs/dbraw/zinc/91/70/79/627917079.db2.gz PJZBTIHSEAMIOJ-OKZBNKHCSA-N 2 2 301.478 3.489 20 0 DGADLP C[N@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580354 627917082 /nfs/dbraw/zinc/91/70/82/627917082.db2.gz PJZBTIHSEAMIOJ-OKZBNKHCSA-N 2 2 301.478 3.489 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccncc1Cl ZINC000817577200 627923359 /nfs/dbraw/zinc/92/33/59/627923359.db2.gz FYIAPLCODOUKKI-ZFWWWQNUSA-N 2 2 323.868 3.029 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccncc1Cl ZINC000817577197 627923413 /nfs/dbraw/zinc/92/34/13/627923413.db2.gz FYIAPLCODOUKKI-DZGCQCFKSA-N 2 2 323.868 3.029 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccncc1Cl ZINC000817577199 627923421 /nfs/dbraw/zinc/92/34/21/627923421.db2.gz FYIAPLCODOUKKI-UKRRQHHQSA-N 2 2 323.868 3.029 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)[C@@H](C)O)CC1 ZINC000926644203 627926760 /nfs/dbraw/zinc/92/67/60/627926760.db2.gz KGKGKDQJCXLXOF-DNVCBOLYSA-N 2 2 322.468 3.348 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926681933 627931757 /nfs/dbraw/zinc/93/17/57/627931757.db2.gz DLKAKSUPHWYHJO-BPQIPLTHSA-N 2 2 301.478 3.255 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926681933 627931761 /nfs/dbraw/zinc/93/17/61/627931761.db2.gz DLKAKSUPHWYHJO-BPQIPLTHSA-N 2 2 301.478 3.255 20 0 DGADLP C([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926745721 627946030 /nfs/dbraw/zinc/94/60/30/627946030.db2.gz PFAOWYUZTPNVRS-BHIYHBOVSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926745721 627946033 /nfs/dbraw/zinc/94/60/33/627946033.db2.gz PFAOWYUZTPNVRS-BHIYHBOVSA-N 2 2 306.494 3.188 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000926762040 627948581 /nfs/dbraw/zinc/94/85/81/627948581.db2.gz KUJQSUDQLRFCQM-FFZOFVMBSA-N 2 2 313.489 3.399 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)nc1 ZINC000926762040 627948582 /nfs/dbraw/zinc/94/85/82/627948582.db2.gz KUJQSUDQLRFCQM-FFZOFVMBSA-N 2 2 313.489 3.399 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817906045 627958236 /nfs/dbraw/zinc/95/82/36/627958236.db2.gz SHNFIQDFBHOMAY-LEWSCRJBSA-N 2 2 317.260 3.147 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000926881393 627969528 /nfs/dbraw/zinc/96/95/28/627969528.db2.gz APXBGSXLEGAWFA-VQTJNVASSA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000926881393 627969532 /nfs/dbraw/zinc/96/95/32/627969532.db2.gz APXBGSXLEGAWFA-VQTJNVASSA-N 2 2 309.457 3.384 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cnn1-c1ccccc1 ZINC000817960492 627975948 /nfs/dbraw/zinc/97/59/48/627975948.db2.gz ZSNBGYRKLBWOJT-GOEBONIOSA-N 2 2 300.450 3.205 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000819014453 628078477 /nfs/dbraw/zinc/07/84/77/628078477.db2.gz PWMLYHKWHKRRCF-LPHOPBHVSA-N 2 2 312.457 3.439 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000823495274 628569187 /nfs/dbraw/zinc/56/91/87/628569187.db2.gz CSRBCQSSWIVTEV-VQFNDLOPSA-N 2 2 317.477 3.196 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc21 ZINC000824530095 628667410 /nfs/dbraw/zinc/66/74/10/628667410.db2.gz TXUZGHLVQHTAND-HNNXBMFYSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc21 ZINC000824530095 628667413 /nfs/dbraw/zinc/66/74/13/628667413.db2.gz TXUZGHLVQHTAND-HNNXBMFYSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2sccc21 ZINC000834571947 629731079 /nfs/dbraw/zinc/73/10/79/629731079.db2.gz YBOHJCCYWLSTKC-HOSILWTGSA-N 2 2 306.475 3.139 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2sccc21 ZINC000834571947 629731084 /nfs/dbraw/zinc/73/10/84/629731084.db2.gz YBOHJCCYWLSTKC-HOSILWTGSA-N 2 2 306.475 3.139 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000834830304 629785818 /nfs/dbraw/zinc/78/58/18/629785818.db2.gz BQKXAPKCMOGXLS-FCGDIQPGSA-N 2 2 322.456 3.113 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000834830304 629785821 /nfs/dbraw/zinc/78/58/21/629785821.db2.gz BQKXAPKCMOGXLS-FCGDIQPGSA-N 2 2 322.456 3.113 20 0 DGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc4[nH+]ccn43)ccc21 ZINC000836881964 630179024 /nfs/dbraw/zinc/17/90/24/630179024.db2.gz TXVBZKDUGXZCAU-INIZCTEOSA-N 2 2 320.396 3.136 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CS1 ZINC000840855234 630367467 /nfs/dbraw/zinc/36/74/67/630367467.db2.gz KIRDLHLLHHZQFS-ZBFHGGJFSA-N 2 2 319.518 3.205 20 0 DGADLP CC(C)[C@@H](c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@@H](C)[NH3+] ZINC000841826514 630469589 /nfs/dbraw/zinc/46/95/89/630469589.db2.gz DYLGZQSSGHSSSG-IUODEOHRSA-N 2 2 311.389 3.009 20 0 DGADLP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000842478469 630540239 /nfs/dbraw/zinc/54/02/39/630540239.db2.gz JCYAZEOGJYRVSI-QGZVFWFLSA-N 3 2 318.509 3.308 20 0 DGADLP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000842478469 630540242 /nfs/dbraw/zinc/54/02/42/630540242.db2.gz JCYAZEOGJYRVSI-QGZVFWFLSA-N 3 2 318.509 3.308 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2nccc3ccccc32)C[C@H]1c1ccccc1 ZINC000843115767 630615189 /nfs/dbraw/zinc/61/51/89/630615189.db2.gz SCKMZFMEYZXHLX-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1c1ccccc1 ZINC000843115767 630615191 /nfs/dbraw/zinc/61/51/91/630615191.db2.gz SCKMZFMEYZXHLX-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP CC[NH+](CC)[C@H](c1nc([C@H]([NH3+])C(C)C)no1)c1ccccc1 ZINC000843155664 630622478 /nfs/dbraw/zinc/62/24/78/630622478.db2.gz WZCVVFKVKJQSBW-CABCVRRESA-N 2 2 302.422 3.157 20 0 DGADLP Cc1cc2ncn(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000121530647 630633160 /nfs/dbraw/zinc/63/31/60/630633160.db2.gz GRBHKFXOZVOUHR-AUUYWEPGSA-N 2 2 323.444 3.390 20 0 DGADLP Cc1cc2ncn(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000121530647 630633161 /nfs/dbraw/zinc/63/31/61/630633161.db2.gz GRBHKFXOZVOUHR-AUUYWEPGSA-N 2 2 323.444 3.390 20 0 DGADLP c1cn(-c2cccc(-c3noc([C@H]4CC[C@@H](C5CC5)[NH2+]4)n3)c2)c[nH+]1 ZINC000844910214 630976923 /nfs/dbraw/zinc/97/69/23/630976923.db2.gz MNFOFGNQTMILRI-JKSUJKDBSA-N 2 2 321.384 3.125 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846840157 631324335 /nfs/dbraw/zinc/32/43/35/631324335.db2.gz JXXZGQATQAUDQZ-UHFFFAOYSA-N 2 2 316.836 3.190 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846840157 631324338 /nfs/dbraw/zinc/32/43/38/631324338.db2.gz JXXZGQATQAUDQZ-UHFFFAOYSA-N 2 2 316.836 3.190 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2)[nH+]c1C ZINC000848410595 631656701 /nfs/dbraw/zinc/65/67/01/631656701.db2.gz QZFFLJKAXMTINJ-LPHOPBHVSA-N 2 2 324.428 3.022 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)OC[C@@H]3CCCC[N@H+]3C(C)C)ccn12 ZINC000848783054 631747521 /nfs/dbraw/zinc/74/75/21/631747521.db2.gz QOCXQGVALUQNQX-INIZCTEOSA-N 2 2 315.417 3.062 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)OC[C@@H]3CCCC[N@@H+]3C(C)C)ccn12 ZINC000848783054 631747522 /nfs/dbraw/zinc/74/75/22/631747522.db2.gz QOCXQGVALUQNQX-INIZCTEOSA-N 2 2 315.417 3.062 20 0 DGADLP CCc1cccc(CC)c1NC(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000848995347 631801019 /nfs/dbraw/zinc/80/10/19/631801019.db2.gz HGNXAHWKGBRWFB-UHFFFAOYSA-N 2 2 313.449 3.425 20 0 DGADLP C[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000849066276 631825528 /nfs/dbraw/zinc/82/55/28/631825528.db2.gz NOSYEUOSDKZDHZ-UHFFFAOYSA-N 2 2 322.456 3.244 20 0 DGADLP C[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000849066276 631825540 /nfs/dbraw/zinc/82/55/40/631825540.db2.gz NOSYEUOSDKZDHZ-UHFFFAOYSA-N 2 2 322.456 3.244 20 0 DGADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000850426596 632149492 /nfs/dbraw/zinc/14/94/92/632149492.db2.gz WSFJNYVCFUIJOP-HUUCEWRRSA-N 2 2 323.481 3.255 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000850542725 632187854 /nfs/dbraw/zinc/18/78/54/632187854.db2.gz AKHIGNAJRHTWCM-XUWVNRHRSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000850542726 632188480 /nfs/dbraw/zinc/18/84/80/632188480.db2.gz AKHIGNAJRHTWCM-ZJIFWQFVSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562161 632194882 /nfs/dbraw/zinc/19/48/82/632194882.db2.gz RCXTZONSXOTUHQ-FUHWJXTLSA-N 2 2 324.472 3.363 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562161 632194886 /nfs/dbraw/zinc/19/48/86/632194886.db2.gz RCXTZONSXOTUHQ-FUHWJXTLSA-N 2 2 324.472 3.363 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000851901633 632518653 /nfs/dbraw/zinc/51/86/53/632518653.db2.gz DCFIAUFIPYYAGK-CHWSQXEVSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000851901633 632518654 /nfs/dbraw/zinc/51/86/54/632518654.db2.gz DCFIAUFIPYYAGK-CHWSQXEVSA-N 2 2 318.383 3.057 20 0 DGADLP C[C@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1cscn1)c1cscn1 ZINC000852416264 632600422 /nfs/dbraw/zinc/60/04/22/632600422.db2.gz HAHIUTVXGLDJOM-WGPFEIJOSA-N 2 2 308.476 3.157 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCC4)CC2)cc1 ZINC000703148418 660768650 /nfs/dbraw/zinc/76/86/50/660768650.db2.gz DHZGWCIVOGEZAQ-UHFFFAOYSA-N 2 2 322.452 3.376 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000793290062 661021653 /nfs/dbraw/zinc/02/16/53/661021653.db2.gz RDQQNXOFZQZNEH-YOEHRIQHSA-N 2 2 305.441 3.353 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000793530482 661041969 /nfs/dbraw/zinc/04/19/69/661041969.db2.gz ATPXJNDJHHFFOR-OHDICMOHSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000793530482 661041972 /nfs/dbraw/zinc/04/19/72/661041972.db2.gz ATPXJNDJHHFFOR-OHDICMOHSA-N 2 2 302.462 3.261 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000793536342 661042941 /nfs/dbraw/zinc/04/29/41/661042941.db2.gz SSQBAAGZAJTIOL-GOSISDBHSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1F ZINC000794836607 661108753 /nfs/dbraw/zinc/10/87/53/661108753.db2.gz RKZLFBOCQWMUND-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1F ZINC000794836607 661108759 /nfs/dbraw/zinc/10/87/59/661108759.db2.gz RKZLFBOCQWMUND-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000253196789 655549163 /nfs/dbraw/zinc/54/91/63/655549163.db2.gz TZGYUIVSLKXQDF-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000253196789 655549164 /nfs/dbraw/zinc/54/91/64/655549164.db2.gz TZGYUIVSLKXQDF-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)c(C)[nH+]1 ZINC001025025539 655957312 /nfs/dbraw/zinc/95/73/12/655957312.db2.gz BXNZVBUWNDGVHW-KRWDZBQOSA-N 2 2 315.461 3.001 20 0 DGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000328496976 656060470 /nfs/dbraw/zinc/06/04/70/656060470.db2.gz QWRJGZONOHBHSM-RDJPOBJMSA-N 2 2 300.446 3.121 20 0 DGADLP C[N@H+](Cc1cccc(N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261543442 656906551 /nfs/dbraw/zinc/90/65/51/656906551.db2.gz HULSTZCGPYHTRP-UHFFFAOYSA-N 2 2 309.457 3.365 20 0 DGADLP C[N@@H+](Cc1cccc(N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261543442 656906555 /nfs/dbraw/zinc/90/65/55/656906555.db2.gz HULSTZCGPYHTRP-UHFFFAOYSA-N 2 2 309.457 3.365 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000895380509 657442368 /nfs/dbraw/zinc/44/23/68/657442368.db2.gz YXZCNIQUCXQNBB-ZFWWWQNUSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000895380509 657442372 /nfs/dbraw/zinc/44/23/72/657442372.db2.gz YXZCNIQUCXQNBB-ZFWWWQNUSA-N 2 2 307.507 3.184 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000252566944 657586690 /nfs/dbraw/zinc/58/66/90/657586690.db2.gz ZYLSQLSYHOJIDQ-ULQDDVLXSA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000252566944 657586695 /nfs/dbraw/zinc/58/66/95/657586695.db2.gz ZYLSQLSYHOJIDQ-ULQDDVLXSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C2CCC([NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC000963707034 658235510 /nfs/dbraw/zinc/23/55/10/658235510.db2.gz QYXZQLZLOYQPRM-UHFFFAOYSA-N 2 2 317.477 3.388 20 0 DGADLP CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1[NH2+]C(C)C ZINC001037893968 658503576 /nfs/dbraw/zinc/50/35/76/658503576.db2.gz RXRLAJQHYPPORL-IAGOWNOFSA-N 2 2 317.477 3.246 20 0 DGADLP CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]C(C)C ZINC001037893970 658504073 /nfs/dbraw/zinc/50/40/73/658504073.db2.gz RXRLAJQHYPPORL-SJORKVTESA-N 2 2 317.477 3.246 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192929612 658798724 /nfs/dbraw/zinc/79/87/24/658798724.db2.gz ITASWQSTGAGYAK-DNVCBOLYSA-N 2 2 307.397 3.257 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753528 661334991 /nfs/dbraw/zinc/33/49/91/661334991.db2.gz BJDNEDFMAYBYIO-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753528 661334993 /nfs/dbraw/zinc/33/49/93/661334993.db2.gz BJDNEDFMAYBYIO-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753528 661334997 /nfs/dbraw/zinc/33/49/97/661334997.db2.gz BJDNEDFMAYBYIO-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753528 661335001 /nfs/dbraw/zinc/33/50/01/661335001.db2.gz BJDNEDFMAYBYIO-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000929803120 661340223 /nfs/dbraw/zinc/34/02/23/661340223.db2.gz BXMVBRRRMOMIQU-OLZOCXBDSA-N 2 2 317.355 3.089 20 0 DGADLP CCCC[N@H+](Cc1ncccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034610 661447012 /nfs/dbraw/zinc/44/70/12/661447012.db2.gz VCCNYCMEZBSGEX-UHFFFAOYSA-N 2 2 304.482 3.388 20 0 DGADLP CCCC[N@@H+](Cc1ncccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034610 661447013 /nfs/dbraw/zinc/44/70/13/661447013.db2.gz VCCNYCMEZBSGEX-UHFFFAOYSA-N 2 2 304.482 3.388 20 0 DGADLP CCCC[N@H+](Cc1ccn(C)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034403 661447051 /nfs/dbraw/zinc/44/70/51/661447051.db2.gz SEDVJPKHBJBWJP-UHFFFAOYSA-N 2 2 306.498 3.331 20 0 DGADLP CCCC[N@@H+](Cc1ccn(C)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034403 661447053 /nfs/dbraw/zinc/44/70/53/661447053.db2.gz SEDVJPKHBJBWJP-UHFFFAOYSA-N 2 2 306.498 3.331 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](CCSc3ccccc3F)C[C@@]2(C)C1 ZINC000931310555 661465752 /nfs/dbraw/zinc/46/57/52/661465752.db2.gz ZVKIMWPLRBUTKC-IAGOWNOFSA-N 2 2 308.466 3.191 20 0 DGADLP CC(C)OC(=O)c1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931353816 661469790 /nfs/dbraw/zinc/46/97/90/661469790.db2.gz FDBGEPJMNKMJPH-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP C[NH+](C)C1(C)CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000931356491 661470155 /nfs/dbraw/zinc/47/01/55/661470155.db2.gz ZGLAYPHBXVDHLC-UHFFFAOYSA-N 2 2 303.475 3.255 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620535 661493892 /nfs/dbraw/zinc/49/38/92/661493892.db2.gz GTXDFCQNIKSDSV-KZNAEPCWSA-N 2 2 306.494 3.427 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620535 661493893 /nfs/dbraw/zinc/49/38/93/661493893.db2.gz GTXDFCQNIKSDSV-KZNAEPCWSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620535 661493895 /nfs/dbraw/zinc/49/38/95/661493895.db2.gz GTXDFCQNIKSDSV-KZNAEPCWSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620535 661493897 /nfs/dbraw/zinc/49/38/97/661493897.db2.gz GTXDFCQNIKSDSV-KZNAEPCWSA-N 2 2 306.494 3.427 20 0 DGADLP c1cn(C[C@H]([NH2+]CCCc2cccnc2)c2ccccc2)c[nH+]1 ZINC000931707145 661500347 /nfs/dbraw/zinc/50/03/47/661500347.db2.gz NTLNCMXZMNJUPN-IBGZPJMESA-N 2 2 306.413 3.242 20 0 DGADLP CSCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000932590035 661583666 /nfs/dbraw/zinc/58/36/66/661583666.db2.gz UMSZVSCTBGSHBG-UHFFFAOYSA-N 2 2 301.459 3.447 20 0 DGADLP Cn1c[nH+]cc1CN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547160 661640222 /nfs/dbraw/zinc/64/02/22/661640222.db2.gz LQCCRZZHCRGAAF-UHFFFAOYSA-N 2 2 324.472 3.007 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933656594 661648924 /nfs/dbraw/zinc/64/89/24/661648924.db2.gz QCNFZZPLMGTKTB-LJQANCHMSA-N 2 2 309.413 3.132 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933656594 661648927 /nfs/dbraw/zinc/64/89/27/661648927.db2.gz QCNFZZPLMGTKTB-LJQANCHMSA-N 2 2 309.413 3.132 20 0 DGADLP CCC[N@H+](C[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187104 661685222 /nfs/dbraw/zinc/68/52/22/661685222.db2.gz AXMGQBAOWQOHAG-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[N@@H+](C[C@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187104 661685224 /nfs/dbraw/zinc/68/52/24/661685224.db2.gz AXMGQBAOWQOHAG-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP Fc1ccc(Br)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000049332562 661901079 /nfs/dbraw/zinc/90/10/79/661901079.db2.gz CWKGSOPCBJAPKC-UHFFFAOYSA-N 2 2 315.230 3.164 20 0 DGADLP C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000088735424 662234339 /nfs/dbraw/zinc/23/43/39/662234339.db2.gz ZPUFVBULTWACHO-DNVCBOLYSA-N 2 2 301.478 3.500 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233127 662251579 /nfs/dbraw/zinc/25/15/79/662251579.db2.gz FKKVITCKVVNNQT-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233127 662251581 /nfs/dbraw/zinc/25/15/81/662251581.db2.gz FKKVITCKVVNNQT-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233127 662251582 /nfs/dbraw/zinc/25/15/82/662251582.db2.gz FKKVITCKVVNNQT-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233127 662251585 /nfs/dbraw/zinc/25/15/85/662251585.db2.gz FKKVITCKVVNNQT-UONOGXRCSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCC=CO2)CCC1 ZINC000386942790 685180462 /nfs/dbraw/zinc/18/04/62/685180462.db2.gz VZMNOAMHQKZQEO-GOSISDBHSA-N 2 2 300.446 3.323 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCC=CO2)CCC1 ZINC000386942790 685180471 /nfs/dbraw/zinc/18/04/71/685180471.db2.gz VZMNOAMHQKZQEO-GOSISDBHSA-N 2 2 300.446 3.323 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000387847892 685185806 /nfs/dbraw/zinc/18/58/06/685185806.db2.gz BBUSJZRXRNZWGB-ZACQAIPSSA-N 3 2 306.498 3.198 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000391980208 685214084 /nfs/dbraw/zinc/21/40/84/685214084.db2.gz PHGWULIEGMKWAN-QGZVFWFLSA-N 2 2 315.461 3.315 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]([NH2+]C(C)C)C23CCC3)c(C)[nH+]1 ZINC001078684840 687703595 /nfs/dbraw/zinc/70/35/95/687703595.db2.gz BYMTYLIBAVJELO-HZPDHXFCSA-N 2 2 315.461 3.046 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)C[NH2+]CCO1 ZINC001576526222 1191837064 /nfs/dbraw/zinc/83/70/64/1191837064.db2.gz NZTWPXAMZGBXHD-KRWDZBQOSA-N 2 2 320.820 3.068 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C[NH2+]CCO1 ZINC001576526491 1191837575 /nfs/dbraw/zinc/83/75/75/1191837575.db2.gz UAZFDVVYMPSHSG-KRWDZBQOSA-N 2 2 320.433 3.022 20 0 DGADLP CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577182716 1191887642 /nfs/dbraw/zinc/88/76/42/1191887642.db2.gz RIQUVTKQXYZIJK-ZWKOTPCHSA-N 2 2 306.494 3.413 20 0 DGADLP CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577182716 1191887645 /nfs/dbraw/zinc/88/76/45/1191887645.db2.gz RIQUVTKQXYZIJK-ZWKOTPCHSA-N 2 2 306.494 3.413 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)[C@H]1Sc1ccccc1 ZINC001578148998 1191927622 /nfs/dbraw/zinc/92/76/22/1191927622.db2.gz QQFJJRHEZFDOIK-AGTSVGGPSA-N 2 2 320.502 3.055 20 0 DGADLP CCSCc1ccc[nH+]c1N[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001578218416 1191932130 /nfs/dbraw/zinc/93/21/30/1191932130.db2.gz IUCMQLMVVUBRJM-HNNXBMFYSA-N 2 2 321.490 3.048 20 0 DGADLP CCc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)nc(CC)[nH+]1 ZINC001578247976 1191933366 /nfs/dbraw/zinc/93/33/66/1191933366.db2.gz JJBDFCOAEFGOCS-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001578275390 1191936500 /nfs/dbraw/zinc/93/65/00/1191936500.db2.gz KZRYXKNQLPWLTP-URSIVYNOSA-N 2 2 302.462 3.186 20 0 DGADLP CO[C@@H](C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909060 1191961076 /nfs/dbraw/zinc/96/10/76/1191961076.db2.gz PCJHPLWALUOKQD-ROUUACIJSA-N 2 2 306.425 3.121 20 0 DGADLP CO[C@@H](C[N@H+]1CCCC[C@@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909060 1191961078 /nfs/dbraw/zinc/96/10/78/1191961078.db2.gz PCJHPLWALUOKQD-ROUUACIJSA-N 2 2 306.425 3.121 20 0 DGADLP Cc1c2ccccc2sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001579544028 1191979582 /nfs/dbraw/zinc/97/95/82/1191979582.db2.gz PCKVBBKHZJBXDT-GUTXKFCHSA-N 2 2 304.459 3.237 20 0 DGADLP Clc1ccccc1C[C@@H]1CCCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC001579938464 1192000303 /nfs/dbraw/zinc/00/03/03/1192000303.db2.gz GUKBIRVXRXGJTI-IRXDYDNUSA-N 2 2 322.880 3.116 20 0 DGADLP Clc1ccccc1C[C@@H]1CCCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC001579938464 1192000305 /nfs/dbraw/zinc/00/03/05/1192000305.db2.gz GUKBIRVXRXGJTI-IRXDYDNUSA-N 2 2 322.880 3.116 20 0 DGADLP FC(F)(F)c1cccc([C@]2(F)CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001580022013 1192003148 /nfs/dbraw/zinc/00/31/48/1192003148.db2.gz YNTBLIOOJNBXAK-DOMZBBRYSA-N 2 2 316.342 3.185 20 0 DGADLP FC(F)(F)c1cccc([C@]2(F)CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001580022013 1192003150 /nfs/dbraw/zinc/00/31/50/1192003150.db2.gz YNTBLIOOJNBXAK-DOMZBBRYSA-N 2 2 316.342 3.185 20 0 DGADLP [NH3+][C@H](C[N@@H+]1CCC[C@@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127593 1192008677 /nfs/dbraw/zinc/00/86/77/1192008677.db2.gz MOIRJLRWRBLBDK-LSDHHAIUSA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+][C@H](C[N@H+]1CCC[C@@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127593 1192008679 /nfs/dbraw/zinc/00/86/79/1192008679.db2.gz MOIRJLRWRBLBDK-LSDHHAIUSA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)CC(F)F ZINC001580131745 1192009027 /nfs/dbraw/zinc/00/90/27/1192009027.db2.gz GZULVSVLECKDGU-JQHSSLGASA-N 2 2 320.383 3.033 20 0 DGADLP [NH3+]C[C@H]1CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC001580331454 1192022007 /nfs/dbraw/zinc/02/20/07/1192022007.db2.gz PFLDIVRXIDGROQ-WGSAOQKQSA-N 3 2 318.509 3.140 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001620965304 1192683552 /nfs/dbraw/zinc/68/35/52/1192683552.db2.gz ZMFMVJBBGBKIHM-UHFFFAOYSA-N 2 2 303.369 3.014 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)sn1 ZINC000399183076 1176269181 /nfs/dbraw/zinc/26/91/81/1176269181.db2.gz TYNLGLMQKWZTTL-LBPRGKRZSA-N 2 2 314.414 3.188 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H](C)CC[NH+](C)C)c2)[nH+]c1C ZINC001597514738 1192736817 /nfs/dbraw/zinc/73/68/17/1192736817.db2.gz ZIVFIBWTMOKMBE-GFCCVEGCSA-N 2 2 314.433 3.220 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000378960651 1176759653 /nfs/dbraw/zinc/75/96/53/1176759653.db2.gz QBWXLNCDSMIHEE-UHFFFAOYSA-N 2 2 318.461 3.200 20 0 DGADLP C[N@H+](Cc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC000110926143 1177875366 /nfs/dbraw/zinc/87/53/66/1177875366.db2.gz ZTVDANFVRRGPAP-ZDUSSCGKSA-N 2 2 322.250 3.114 20 0 DGADLP C[N@@H+](Cc1c[nH]c2ccc(Br)cc12)[C@H]1CCC[NH2+]C1 ZINC000110926143 1177875375 /nfs/dbraw/zinc/87/53/75/1177875375.db2.gz ZTVDANFVRRGPAP-ZDUSSCGKSA-N 2 2 322.250 3.114 20 0 DGADLP Cn1c[nH+]cc1CNc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001331598189 1178256887 /nfs/dbraw/zinc/25/68/87/1178256887.db2.gz SNWMQVZPJWNLAW-UHFFFAOYSA-N 2 2 312.339 3.113 20 0 DGADLP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001333681134 1178652800 /nfs/dbraw/zinc/65/28/00/1178652800.db2.gz HETKCAURWSDDPJ-QGZVFWFLSA-N 2 2 314.429 3.242 20 0 DGADLP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001333681134 1178652805 /nfs/dbraw/zinc/65/28/05/1178652805.db2.gz HETKCAURWSDDPJ-QGZVFWFLSA-N 2 2 314.429 3.242 20 0 DGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001333681134 1178652807 /nfs/dbraw/zinc/65/28/07/1178652807.db2.gz HETKCAURWSDDPJ-QGZVFWFLSA-N 2 2 314.429 3.242 20 0 DGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001333681134 1178652810 /nfs/dbraw/zinc/65/28/10/1178652810.db2.gz HETKCAURWSDDPJ-QGZVFWFLSA-N 2 2 314.429 3.242 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001335356342 1178899965 /nfs/dbraw/zinc/89/99/65/1178899965.db2.gz KPQHMYMQZZUDRG-BMGDILEWSA-N 2 2 313.420 3.370 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001335356342 1178899978 /nfs/dbraw/zinc/89/99/78/1178899978.db2.gz KPQHMYMQZZUDRG-BMGDILEWSA-N 2 2 313.420 3.370 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)n3cc[nH+]c3)c2C1 ZINC001341537172 1179024869 /nfs/dbraw/zinc/02/48/69/1179024869.db2.gz DINFCLZTZPTKLP-CQSZACIVSA-N 2 2 312.417 3.054 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)n3cc[nH+]c3)c2C1 ZINC001341537172 1179024876 /nfs/dbraw/zinc/02/48/76/1179024876.db2.gz DINFCLZTZPTKLP-CQSZACIVSA-N 2 2 312.417 3.054 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]CCc1ccc(F)cc1)c1cccnc1 ZINC001343266597 1179249455 /nfs/dbraw/zinc/24/94/55/1179249455.db2.gz KEIPTQVOJUJHKY-GOSISDBHSA-N 2 2 301.409 3.046 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]CCc1ccc(F)cc1)c1cccnc1 ZINC001343266598 1179249740 /nfs/dbraw/zinc/24/97/40/1179249740.db2.gz KEIPTQVOJUJHKY-SFHVURJKSA-N 2 2 301.409 3.046 20 0 DGADLP Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nc(C2CCC2)[nH+]1 ZINC001343306227 1179254061 /nfs/dbraw/zinc/25/40/61/1179254061.db2.gz PCMGCFLYSTVIHI-GVDBMIGSSA-N 2 2 314.477 3.219 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCCCC2CC[NH2+]CC2)c(C)[nH+]1 ZINC001344694118 1179467582 /nfs/dbraw/zinc/46/75/82/1179467582.db2.gz OXIULPRFWSKLDP-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372016 1180062341 /nfs/dbraw/zinc/06/23/41/1180062341.db2.gz XEMDXTYUEQCOSK-FUHWJXTLSA-N 2 2 319.493 3.270 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372016 1180062343 /nfs/dbraw/zinc/06/23/43/1180062343.db2.gz XEMDXTYUEQCOSK-FUHWJXTLSA-N 2 2 319.493 3.270 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001352177720 1180305918 /nfs/dbraw/zinc/30/59/18/1180305918.db2.gz FPMFFJCDAKFSQF-OAHLLOKOSA-N 2 2 322.522 3.145 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001352177720 1180305933 /nfs/dbraw/zinc/30/59/33/1180305933.db2.gz FPMFFJCDAKFSQF-OAHLLOKOSA-N 2 2 322.522 3.145 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC001352177719 1180306220 /nfs/dbraw/zinc/30/62/20/1180306220.db2.gz FPMFFJCDAKFSQF-HNNXBMFYSA-N 2 2 322.522 3.145 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC001352177719 1180306225 /nfs/dbraw/zinc/30/62/25/1180306225.db2.gz FPMFFJCDAKFSQF-HNNXBMFYSA-N 2 2 322.522 3.145 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1ccsc1 ZINC001352216374 1180309678 /nfs/dbraw/zinc/30/96/78/1180309678.db2.gz OIASEFWOEUBOTC-IHWYPQMZSA-N 2 2 310.382 3.289 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)n1)c1ccccc1 ZINC001353974943 1180697454 /nfs/dbraw/zinc/69/74/54/1180697454.db2.gz FHVMMTJLNVMTHP-DMRZNYOFSA-N 2 2 312.417 3.101 20 0 DGADLP Cn1c[nH+]cc1C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC001354414561 1180791035 /nfs/dbraw/zinc/79/10/35/1180791035.db2.gz IKEASVOEKBIYSR-UHFFFAOYSA-N 2 2 310.376 3.491 20 0 DGADLP CC(C)(C[NH2+]C[C@H](O)c1cccc2ccccc21)n1cc[nH+]c1 ZINC001357260700 1181376234 /nfs/dbraw/zinc/37/62/34/1181376234.db2.gz RWHSPZIDCVSAPW-SFHVURJKSA-N 2 2 309.413 3.095 20 0 DGADLP CC(C)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001459966699 1182636299 /nfs/dbraw/zinc/63/62/99/1182636299.db2.gz VTTHNCQSBDEQHK-HXUWFJFHSA-N 2 2 316.489 3.387 20 0 DGADLP CC(C)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001459966699 1182636303 /nfs/dbraw/zinc/63/63/03/1182636303.db2.gz VTTHNCQSBDEQHK-HXUWFJFHSA-N 2 2 316.489 3.387 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001460965195 1182746875 /nfs/dbraw/zinc/74/68/75/1182746875.db2.gz NGQYXMQINNYLCJ-UHFFFAOYSA-N 2 2 303.837 3.496 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC001461004874 1182754898 /nfs/dbraw/zinc/75/48/98/1182754898.db2.gz NCTOOISSLMRYMG-UHFFFAOYSA-N 2 2 318.509 3.432 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001461014010 1182756080 /nfs/dbraw/zinc/75/60/80/1182756080.db2.gz QDCNLENLYPCESH-GJZGRUSLSA-N 2 2 322.493 3.474 20 0 DGADLP c1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)n(C2CCC2)n1 ZINC001461028708 1182758602 /nfs/dbraw/zinc/75/86/02/1182758602.db2.gz ANPRCELUXGQOCX-UHFFFAOYSA-N 2 2 321.428 3.143 20 0 DGADLP COC(=O)c1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c(F)c1 ZINC001461268971 1182790026 /nfs/dbraw/zinc/79/00/26/1182790026.db2.gz PQKQHWOWNKZMAK-UHFFFAOYSA-N 2 2 324.440 3.211 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001461811491 1182858356 /nfs/dbraw/zinc/85/83/56/1182858356.db2.gz NUKPRNOAODVBRF-QZTJIDSGSA-N 2 2 308.510 3.293 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001461811491 1182858368 /nfs/dbraw/zinc/85/83/68/1182858368.db2.gz NUKPRNOAODVBRF-QZTJIDSGSA-N 2 2 308.510 3.293 20 0 DGADLP CN(C)c1c(F)c(F)ccc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001462640258 1182978200 /nfs/dbraw/zinc/97/82/00/1182978200.db2.gz ZWHCVSRHSRRXKB-UHFFFAOYSA-N 2 2 313.436 3.050 20 0 DGADLP CN(C)c1c(F)c(F)ccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001462640258 1182978203 /nfs/dbraw/zinc/97/82/03/1182978203.db2.gz ZWHCVSRHSRRXKB-UHFFFAOYSA-N 2 2 313.436 3.050 20 0 DGADLP Cc1nc(NC[C@H](C)C[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC001472663734 1183663081 /nfs/dbraw/zinc/66/30/81/1183663081.db2.gz GRSQHOMSKIDWCJ-AWEZNQCLSA-N 2 2 302.466 3.198 20 0 DGADLP C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473358276 1183747440 /nfs/dbraw/zinc/74/74/40/1183747440.db2.gz SVNNPAPNRULUJW-JXFKEZNVSA-N 2 2 321.424 3.127 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725601 1183794535 /nfs/dbraw/zinc/79/45/35/1183794535.db2.gz RORRWOZVGUMTCI-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725601 1183794536 /nfs/dbraw/zinc/79/45/36/1183794536.db2.gz RORRWOZVGUMTCI-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725601 1183794537 /nfs/dbraw/zinc/79/45/37/1183794537.db2.gz RORRWOZVGUMTCI-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@@H]21 ZINC001473725601 1183794538 /nfs/dbraw/zinc/79/45/38/1183794538.db2.gz RORRWOZVGUMTCI-ZFWWWQNUSA-N 2 2 314.351 3.111 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC001473916111 1183827476 /nfs/dbraw/zinc/82/74/76/1183827476.db2.gz AZLWIOVVALKPDW-UHFFFAOYSA-N 2 2 307.507 3.234 20 0 DGADLP Cc1ccc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001473939031 1183832704 /nfs/dbraw/zinc/83/27/04/1183832704.db2.gz KSJIOABCMXHCML-UHFFFAOYSA-N 2 2 324.468 3.425 20 0 DGADLP c1ccc(NCCCC[NH2+]Cc2cccc3nsnc32)[nH+]c1 ZINC001473979127 1183842962 /nfs/dbraw/zinc/84/29/62/1183842962.db2.gz WPZIPVDSNDWOCW-UHFFFAOYSA-N 2 2 313.430 3.068 20 0 DGADLP COc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1OC ZINC001474038419 1183856619 /nfs/dbraw/zinc/85/66/19/1183856619.db2.gz QIHBLFONQXWORQ-UHFFFAOYSA-N 2 2 318.461 3.200 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317504 1183904056 /nfs/dbraw/zinc/90/40/56/1183904056.db2.gz HQSSSZDARQDVJP-WFASDCNBSA-N 2 2 320.506 3.175 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317504 1183904060 /nfs/dbraw/zinc/90/40/60/1183904060.db2.gz HQSSSZDARQDVJP-WFASDCNBSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317504 1183904061 /nfs/dbraw/zinc/90/40/61/1183904061.db2.gz HQSSSZDARQDVJP-WFASDCNBSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317504 1183904062 /nfs/dbraw/zinc/90/40/62/1183904062.db2.gz HQSSSZDARQDVJP-WFASDCNBSA-N 2 2 320.506 3.175 20 0 DGADLP CO[C@](C)(C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC001474537168 1183936854 /nfs/dbraw/zinc/93/68/54/1183936854.db2.gz MNPRZPJFJMIKRL-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CO[C@](C)(C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC001474537168 1183936856 /nfs/dbraw/zinc/93/68/56/1183936856.db2.gz MNPRZPJFJMIKRL-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)C ZINC001474602412 1183947015 /nfs/dbraw/zinc/94/70/15/1183947015.db2.gz QYIIIHLTGVMZJD-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)C ZINC001474602412 1183947019 /nfs/dbraw/zinc/94/70/19/1183947019.db2.gz QYIIIHLTGVMZJD-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001480507082 1184540183 /nfs/dbraw/zinc/54/01/83/1184540183.db2.gz ICVZETOMTQEWRS-AWEZNQCLSA-N 2 2 317.477 3.151 20 0 DGADLP CCCCC[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001492989606 1184630720 /nfs/dbraw/zinc/63/07/20/1184630720.db2.gz DQYBUFBZMQNXON-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCCC[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001492989606 1184630721 /nfs/dbraw/zinc/63/07/21/1184630721.db2.gz DQYBUFBZMQNXON-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CC[N@H+](CCCC(C)C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001492989382 1184631660 /nfs/dbraw/zinc/63/16/60/1184631660.db2.gz CDEFOSBMIAPKLI-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CC[N@@H+](CCCC(C)C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001492989382 1184631664 /nfs/dbraw/zinc/63/16/64/1184631664.db2.gz CDEFOSBMIAPKLI-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C(C)C)c(C)[nH+]1 ZINC001496580551 1185214695 /nfs/dbraw/zinc/21/46/95/1185214695.db2.gz CNOGHDZLGDIFMD-IDTUSYRASA-N 2 2 323.868 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]C/C=C\Cl)C(C)C)c(C)[nH+]1 ZINC001496580554 1185216262 /nfs/dbraw/zinc/21/62/62/1185216262.db2.gz CNOGHDZLGDIFMD-XHPSBEMXSA-N 2 2 323.868 3.103 20 0 DGADLP CCCCCC[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001498074004 1185432272 /nfs/dbraw/zinc/43/22/72/1185432272.db2.gz CNNOBFRIQVFPFH-HNNXBMFYSA-N 2 2 305.466 3.295 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001548851846 1188467004 /nfs/dbraw/zinc/46/70/04/1188467004.db2.gz LZBXLVWTKYFTHR-AAEUAGOBSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001548851846 1188467008 /nfs/dbraw/zinc/46/70/08/1188467008.db2.gz LZBXLVWTKYFTHR-AAEUAGOBSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC001549017615 1188487296 /nfs/dbraw/zinc/48/72/96/1188487296.db2.gz RBOIGOKTVWWENG-ZDUSSCGKSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001549017615 1188487297 /nfs/dbraw/zinc/48/72/97/1188487297.db2.gz RBOIGOKTVWWENG-ZDUSSCGKSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC001549017608 1188487308 /nfs/dbraw/zinc/48/73/08/1188487308.db2.gz RBOIGOKTVWWENG-CYBMUJFWSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001549017608 1188487309 /nfs/dbraw/zinc/48/73/09/1188487309.db2.gz RBOIGOKTVWWENG-CYBMUJFWSA-N 2 2 305.372 3.120 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001549084183 1188492604 /nfs/dbraw/zinc/49/26/04/1188492604.db2.gz VXRBNPUKOIVBDE-CEXWTWQISA-N 2 2 311.429 3.186 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001549084183 1188492608 /nfs/dbraw/zinc/49/26/08/1188492608.db2.gz VXRBNPUKOIVBDE-CEXWTWQISA-N 2 2 311.429 3.186 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222446 1188507463 /nfs/dbraw/zinc/50/74/63/1188507463.db2.gz MLWKRRCMCJMPGE-SJLPKXTDSA-N 2 2 305.466 3.195 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222446 1188507466 /nfs/dbraw/zinc/50/74/66/1188507466.db2.gz MLWKRRCMCJMPGE-SJLPKXTDSA-N 2 2 305.466 3.195 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368446 1188514370 /nfs/dbraw/zinc/51/43/70/1188514370.db2.gz UBYCNHNVWUQTDZ-NSHDSACASA-N 2 2 313.323 3.412 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368446 1188514376 /nfs/dbraw/zinc/51/43/76/1188514376.db2.gz UBYCNHNVWUQTDZ-NSHDSACASA-N 2 2 313.323 3.412 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001550531109 1188620050 /nfs/dbraw/zinc/62/00/50/1188620050.db2.gz HNVXNIKXZHWNIV-CVEARBPZSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001550531109 1188620052 /nfs/dbraw/zinc/62/00/52/1188620052.db2.gz HNVXNIKXZHWNIV-CVEARBPZSA-N 2 2 303.450 3.091 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1C ZINC001550540108 1188622563 /nfs/dbraw/zinc/62/25/63/1188622563.db2.gz XCKWDKSBVXACKD-ZWKOTPCHSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1C ZINC001550540108 1188622565 /nfs/dbraw/zinc/62/25/65/1188622565.db2.gz XCKWDKSBVXACKD-ZWKOTPCHSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1C ZINC001550540108 1188622567 /nfs/dbraw/zinc/62/25/67/1188622567.db2.gz XCKWDKSBVXACKD-ZWKOTPCHSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1C ZINC001550540108 1188622569 /nfs/dbraw/zinc/62/25/69/1188622569.db2.gz XCKWDKSBVXACKD-ZWKOTPCHSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624701 1188633366 /nfs/dbraw/zinc/63/33/66/1188633366.db2.gz ZAKKBBZTZZSJTO-GOEBONIOSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@H]1Cc2cc(C[N@H+]3CCC[C@@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624701 1188633368 /nfs/dbraw/zinc/63/33/68/1188633368.db2.gz ZAKKBBZTZZSJTO-GOEBONIOSA-N 2 2 311.429 3.123 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103534 1188898593 /nfs/dbraw/zinc/89/85/93/1188898593.db2.gz DENXWYLDLPAULH-GTAWCEEGSA-N 2 2 314.473 3.323 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103534 1188898596 /nfs/dbraw/zinc/89/85/96/1188898596.db2.gz DENXWYLDLPAULH-GTAWCEEGSA-N 2 2 314.473 3.323 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103534 1188898600 /nfs/dbraw/zinc/89/86/00/1188898600.db2.gz DENXWYLDLPAULH-GTAWCEEGSA-N 2 2 314.473 3.323 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103534 1188898605 /nfs/dbraw/zinc/89/86/05/1188898605.db2.gz DENXWYLDLPAULH-GTAWCEEGSA-N 2 2 314.473 3.323 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC001553868853 1188952956 /nfs/dbraw/zinc/95/29/56/1188952956.db2.gz OEPYZTNGXONPIQ-INIZCTEOSA-N 2 2 306.413 3.348 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001553868853 1188952959 /nfs/dbraw/zinc/95/29/59/1188952959.db2.gz OEPYZTNGXONPIQ-INIZCTEOSA-N 2 2 306.413 3.348 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)[C@H]1OC ZINC001559812854 1189245368 /nfs/dbraw/zinc/24/53/68/1189245368.db2.gz MXKHQBSMLUSTQX-IGKNDFSCSA-N 2 2 310.526 3.394 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)[C@H]1OC ZINC001559812854 1189245371 /nfs/dbraw/zinc/24/53/71/1189245371.db2.gz MXKHQBSMLUSTQX-IGKNDFSCSA-N 2 2 310.526 3.394 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC001560207550 1189290971 /nfs/dbraw/zinc/29/09/71/1189290971.db2.gz OEQUHDRCDAWXHP-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC001560207550 1189290973 /nfs/dbraw/zinc/29/09/73/1189290973.db2.gz OEQUHDRCDAWXHP-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP CCOc1cncc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001560261863 1189300985 /nfs/dbraw/zinc/30/09/85/1189300985.db2.gz WNVHBRSZVBGCNE-UHFFFAOYSA-N 2 2 322.412 3.015 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(n1)CCCC2 ZINC001560518806 1189335423 /nfs/dbraw/zinc/33/54/23/1189335423.db2.gz JDHOEXWXIQANCI-VQTJNVASSA-N 2 2 313.489 3.375 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c2c(n1)CCCC2 ZINC001560518806 1189335427 /nfs/dbraw/zinc/33/54/27/1189335427.db2.gz JDHOEXWXIQANCI-VQTJNVASSA-N 2 2 313.489 3.375 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896567 1189402241 /nfs/dbraw/zinc/40/22/41/1189402241.db2.gz CFDBOXDJGFIODC-JKSUJKDBSA-N 2 2 312.498 3.064 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896567 1189402244 /nfs/dbraw/zinc/40/22/44/1189402244.db2.gz CFDBOXDJGFIODC-JKSUJKDBSA-N 2 2 312.498 3.064 20 0 DGADLP CC(C)SCC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001560944799 1189408414 /nfs/dbraw/zinc/40/84/14/1189408414.db2.gz WKRJJJFELHTEEN-INIZCTEOSA-N 2 2 303.475 3.435 20 0 DGADLP CC/C=C/CC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568658513 1190574891 /nfs/dbraw/zinc/57/48/91/1190574891.db2.gz IVQHBCBCJICCLO-MVGZEHJDSA-N 2 2 317.477 3.461 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001569070215 1190616265 /nfs/dbraw/zinc/61/62/65/1190616265.db2.gz MJXOPUYESLWQIO-HNNXBMFYSA-N 2 2 305.466 3.151 20 0 DGADLP CCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001571629509 1191068662 /nfs/dbraw/zinc/06/86/62/1191068662.db2.gz MXPCOKZEJLUUDD-HNNXBMFYSA-N 2 2 305.466 3.151 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001620768537 1191454095 /nfs/dbraw/zinc/45/40/95/1191454095.db2.gz NZSJYMASNDYZJT-UHFFFAOYSA-N 2 2 321.428 3.454 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001575141238 1191468912 /nfs/dbraw/zinc/46/89/12/1191468912.db2.gz MFDNVLXYUSUBDH-HZPDHXFCSA-N 2 2 308.466 3.336 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001575141238 1191468916 /nfs/dbraw/zinc/46/89/16/1191468916.db2.gz MFDNVLXYUSUBDH-HZPDHXFCSA-N 2 2 308.466 3.336 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C2CCCCC2)cc1)[C@H]1C[NH2+]CCO1 ZINC001576253442 1191550903 /nfs/dbraw/zinc/55/09/03/1191550903.db2.gz WJPTUSBVCTUOQN-DNVCBOLYSA-N 2 2 302.462 3.201 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(C2C[NH2+]C2)no1 ZINC001576314092 1191559840 /nfs/dbraw/zinc/55/98/40/1191559840.db2.gz GYOAJNGXYNLQKP-NSHDSACASA-N 2 2 305.809 3.208 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C2C[NH2+]C2)no1 ZINC001576314092 1191559841 /nfs/dbraw/zinc/55/98/41/1191559841.db2.gz GYOAJNGXYNLQKP-NSHDSACASA-N 2 2 305.809 3.208 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccnc(Cl)c2Cl)[C@H]2CCC[NH2+][C@H]21 ZINC001576391545 1191580259 /nfs/dbraw/zinc/58/02/59/1191580259.db2.gz SZLCXOUWKGKZAX-CYZMBNFOSA-N 2 2 314.260 3.255 20 0 DGADLP CC1(C)CC[C@H](CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)OC1 ZINC001576410286 1191599277 /nfs/dbraw/zinc/59/92/77/1191599277.db2.gz YVHTTWIQKXJTER-GUDVDZBRSA-N 2 2 316.489 3.317 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1cc(F)ccc1N(C)C ZINC001621110075 1193765064 /nfs/dbraw/zinc/76/50/64/1193765064.db2.gz CPMHNEAJNQFHSM-CYBMUJFWSA-N 2 2 316.424 3.204 20 0 DGADLP C[N@H+](C[C@@H]1CC1(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454894 1193769803 /nfs/dbraw/zinc/76/98/03/1193769803.db2.gz GVFFMZRCAPFMJS-RBUKOAKNSA-N 2 2 316.489 3.255 20 0 DGADLP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454894 1193769807 /nfs/dbraw/zinc/76/98/07/1193769807.db2.gz GVFFMZRCAPFMJS-RBUKOAKNSA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@@H]1CC1(C)C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001620454894 1193769810 /nfs/dbraw/zinc/76/98/10/1193769810.db2.gz GVFFMZRCAPFMJS-RBUKOAKNSA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@@H]1CC1(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001620454894 1193769812 /nfs/dbraw/zinc/76/98/12/1193769812.db2.gz GVFFMZRCAPFMJS-RBUKOAKNSA-N 2 2 316.489 3.255 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cccc(F)n2)CC1 ZINC001620498497 1193772979 /nfs/dbraw/zinc/77/29/79/1193772979.db2.gz OHFNSPXGOVYNCD-QGZVFWFLSA-N 2 2 305.441 3.307 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cccc(F)n2)CC1 ZINC001620498497 1193772982 /nfs/dbraw/zinc/77/29/82/1193772982.db2.gz OHFNSPXGOVYNCD-QGZVFWFLSA-N 2 2 305.441 3.307 20 0 DGADLP CC(C)CCC[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001620717336 1193794308 /nfs/dbraw/zinc/79/43/08/1193794308.db2.gz AWUDVLURKARCEV-UHFFFAOYSA-N 2 2 303.494 3.225 20 0 DGADLP CC(C)c1[nH+]c(CNC[C@H]2CCCC[N@@H+]2C)c2ccccn21 ZINC001621094964 1193801521 /nfs/dbraw/zinc/80/15/21/1193801521.db2.gz UAFLUTADAPIOBL-OAHLLOKOSA-N 2 2 300.450 3.032 20 0 DGADLP CC(C)c1[nH+]c(CNC[C@H]2CCCC[N@H+]2C)c2ccccn21 ZINC001621094964 1193801523 /nfs/dbraw/zinc/80/15/23/1193801523.db2.gz UAFLUTADAPIOBL-OAHLLOKOSA-N 2 2 300.450 3.032 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H]3CCOCC34CCCC4)c2)c[nH+]1 ZINC001621106170 1193802926 /nfs/dbraw/zinc/80/29/26/1193802926.db2.gz PCYMBXADWQTWID-INIZCTEOSA-N 2 2 317.458 3.373 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001621166898 1193810511 /nfs/dbraw/zinc/81/05/11/1193810511.db2.gz OVNIYKMDGSTKIT-GOSISDBHSA-N 2 2 319.468 3.342 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001621166898 1193810516 /nfs/dbraw/zinc/81/05/16/1193810516.db2.gz OVNIYKMDGSTKIT-GOSISDBHSA-N 2 2 319.468 3.342 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001621439843 1193842610 /nfs/dbraw/zinc/84/26/10/1193842610.db2.gz CAMOMRMIRMRENX-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001621439843 1193842613 /nfs/dbraw/zinc/84/26/13/1193842613.db2.gz CAMOMRMIRMRENX-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001621439842 1193843103 /nfs/dbraw/zinc/84/31/03/1193843103.db2.gz CAMOMRMIRMRENX-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001621439842 1193843104 /nfs/dbraw/zinc/84/31/04/1193843104.db2.gz CAMOMRMIRMRENX-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001639150961 1194753267 /nfs/dbraw/zinc/75/32/67/1194753267.db2.gz MORNNHDMEGWSTQ-CQSZACIVSA-N 2 2 300.406 3.360 20 0 DGADLP C[NH2+]C1(CNc2nc3ccccc3n3c[nH+]cc23)CCCCC1 ZINC001640326343 1194806936 /nfs/dbraw/zinc/80/69/36/1194806936.db2.gz JPTLEPSKVHDTNN-UHFFFAOYSA-N 2 2 309.417 3.217 20 0 DGADLP CCc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464169 1194912009 /nfs/dbraw/zinc/91/20/09/1194912009.db2.gz GNGPTEXTLZYCMR-RHSMWYFYSA-N 2 2 314.477 3.055 20 0 DGADLP CCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464169 1194912014 /nfs/dbraw/zinc/91/20/14/1194912014.db2.gz GNGPTEXTLZYCMR-RHSMWYFYSA-N 2 2 314.477 3.055 20 0 DGADLP Cc1nc(NCC2CC[NH+](CC3CC3)CC2)c2c([nH+]1)CCCC2 ZINC001642989900 1194958857 /nfs/dbraw/zinc/95/88/57/1194958857.db2.gz LEZFBTCVKVVVIZ-UHFFFAOYSA-N 2 2 314.477 3.198 20 0 DGADLP C[C@@H]1[C@H](C)C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001643486759 1195028589 /nfs/dbraw/zinc/02/85/89/1195028589.db2.gz OKXOKQFPRQGCDW-XSYGEPLQSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1[C@H](C)C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001643486759 1195028594 /nfs/dbraw/zinc/02/85/94/1195028594.db2.gz OKXOKQFPRQGCDW-XSYGEPLQSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1[C@H](C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001643486759 1195028598 /nfs/dbraw/zinc/02/85/98/1195028598.db2.gz OKXOKQFPRQGCDW-XSYGEPLQSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1[C@H](C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001643486759 1195028604 /nfs/dbraw/zinc/02/86/04/1195028604.db2.gz OKXOKQFPRQGCDW-XSYGEPLQSA-N 2 2 316.489 3.254 20 0 DGADLP CC(C)[C@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843059 1195138076 /nfs/dbraw/zinc/13/80/76/1195138076.db2.gz WGBGFZPSZZJIGK-QFBILLFUSA-N 2 2 313.445 3.133 20 0 DGADLP CC(C)[C@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843059 1195138079 /nfs/dbraw/zinc/13/80/79/1195138079.db2.gz WGBGFZPSZZJIGK-QFBILLFUSA-N 2 2 313.445 3.133 20 0 DGADLP CC(C)=CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437656 1195300243 /nfs/dbraw/zinc/30/02/43/1195300243.db2.gz OTQFUTZEAHIDEX-UHFFFAOYSA-N 2 2 302.462 3.177 20 0 DGADLP CC(C)=CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437656 1195300246 /nfs/dbraw/zinc/30/02/46/1195300246.db2.gz OTQFUTZEAHIDEX-UHFFFAOYSA-N 2 2 302.462 3.177 20 0 DGADLP CC(C)=CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001648437656 1195300251 /nfs/dbraw/zinc/30/02/51/1195300251.db2.gz OTQFUTZEAHIDEX-UHFFFAOYSA-N 2 2 302.462 3.177 20 0 DGADLP CC(C)=CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001648437656 1195300254 /nfs/dbraw/zinc/30/02/54/1195300254.db2.gz OTQFUTZEAHIDEX-UHFFFAOYSA-N 2 2 302.462 3.177 20 0 DGADLP CCOC(=O)CCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647037 1195318079 /nfs/dbraw/zinc/31/80/79/1195318079.db2.gz HHUQZROALXDCFP-OAHLLOKOSA-N 2 2 321.465 3.161 20 0 DGADLP CCOC(=O)CCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647037 1195318084 /nfs/dbraw/zinc/31/80/84/1195318084.db2.gz HHUQZROALXDCFP-OAHLLOKOSA-N 2 2 321.465 3.161 20 0 DGADLP C[C@H](CCc1ccccc1)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648742406 1195327167 /nfs/dbraw/zinc/32/71/67/1195327167.db2.gz YBOUGHSCGMSNHB-QRVBRYPASA-N 2 2 318.505 3.344 20 0 DGADLP C[C@H](CCc1ccccc1)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648742406 1195327170 /nfs/dbraw/zinc/32/71/70/1195327170.db2.gz YBOUGHSCGMSNHB-QRVBRYPASA-N 2 2 318.505 3.344 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)Cc1ccccc1 ZINC001648775131 1195330827 /nfs/dbraw/zinc/33/08/27/1195330827.db2.gz CGPAWSJNINZTLS-WDSOQIARSA-N 2 2 304.478 3.097 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001649372789 1195333500 /nfs/dbraw/zinc/33/35/00/1195333500.db2.gz XKEXFSTWPRQALW-MRXNPFEDSA-N 2 2 320.481 3.202 20 0 DGADLP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001649372789 1195333503 /nfs/dbraw/zinc/33/35/03/1195333503.db2.gz XKEXFSTWPRQALW-MRXNPFEDSA-N 2 2 320.481 3.202 20 0 DGADLP COc1ccc(Cl)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001650647942 1195369196 /nfs/dbraw/zinc/36/91/96/1195369196.db2.gz VGLAMHUDIADKEQ-UHFFFAOYSA-N 2 2 305.809 3.335 20 0 DGADLP CC(C)(C)C1CCC(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001651116529 1195415674 /nfs/dbraw/zinc/41/56/74/1195415674.db2.gz KCLPKGMFAAEQFS-DAWZGUTISA-N 2 2 310.526 3.275 20 0 DGADLP CC(C)(C)C1CCC(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001651116529 1195415680 /nfs/dbraw/zinc/41/56/80/1195415680.db2.gz KCLPKGMFAAEQFS-DAWZGUTISA-N 2 2 310.526 3.275 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1cccc2nsnc21 ZINC001651113160 1195415863 /nfs/dbraw/zinc/41/58/63/1195415863.db2.gz HCPZIJQPMOEDBE-HNNXBMFYSA-N 2 2 318.490 3.291 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cn1 ZINC000065932544 1195478079 /nfs/dbraw/zinc/47/80/79/1195478079.db2.gz JIADRDFJEDQHRT-UHFFFAOYSA-N 2 2 306.413 3.482 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001652371846 1195587763 /nfs/dbraw/zinc/58/77/63/1195587763.db2.gz FRSHIOWRAAASMI-WDYCEAGBSA-N 2 2 316.489 3.336 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001652371846 1195587766 /nfs/dbraw/zinc/58/77/66/1195587766.db2.gz FRSHIOWRAAASMI-WDYCEAGBSA-N 2 2 316.489 3.336 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1C1CCCC1 ZINC001652394670 1195592283 /nfs/dbraw/zinc/59/22/83/1195592283.db2.gz XTQJUSUTFKEDCE-UHFFFAOYSA-N 2 2 306.498 3.241 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1C1CCCC1 ZINC001652394670 1195592289 /nfs/dbraw/zinc/59/22/89/1195592289.db2.gz XTQJUSUTFKEDCE-UHFFFAOYSA-N 2 2 306.498 3.241 20 0 DGADLP CCNc1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC001653139906 1195692413 /nfs/dbraw/zinc/69/24/13/1195692413.db2.gz YZLXPDFPPSORBB-UHFFFAOYSA-N 2 2 318.490 3.269 20 0 DGADLP CCNc1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC001653139906 1195692416 /nfs/dbraw/zinc/69/24/16/1195692416.db2.gz YZLXPDFPPSORBB-UHFFFAOYSA-N 2 2 318.490 3.269 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC001653208283 1195698778 /nfs/dbraw/zinc/69/87/78/1195698778.db2.gz KYSHKZIUCDBNRX-YVWKXTFCSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653208283 1195698779 /nfs/dbraw/zinc/69/87/79/1195698779.db2.gz KYSHKZIUCDBNRX-YVWKXTFCSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001653230708 1195701578 /nfs/dbraw/zinc/70/15/78/1195701578.db2.gz LWNSFUJQPYFHNV-OAHLLOKOSA-N 2 2 318.461 3.058 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001653230708 1195701582 /nfs/dbraw/zinc/70/15/82/1195701582.db2.gz LWNSFUJQPYFHNV-OAHLLOKOSA-N 2 2 318.461 3.058 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC12CCOCC2 ZINC001653546492 1195733496 /nfs/dbraw/zinc/73/34/96/1195733496.db2.gz HUUJNVHUJIBCFH-KSZLIROESA-N 2 2 306.494 3.142 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC12CCOCC2 ZINC001653546492 1195733497 /nfs/dbraw/zinc/73/34/97/1195733497.db2.gz HUUJNVHUJIBCFH-KSZLIROESA-N 2 2 306.494 3.142 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC12CCOCC2 ZINC001653546492 1195733499 /nfs/dbraw/zinc/73/34/99/1195733499.db2.gz HUUJNVHUJIBCFH-KSZLIROESA-N 2 2 306.494 3.142 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC12CCOCC2 ZINC001653546492 1195733500 /nfs/dbraw/zinc/73/35/00/1195733500.db2.gz HUUJNVHUJIBCFH-KSZLIROESA-N 2 2 306.494 3.142 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OCC ZINC000069058805 1195769601 /nfs/dbraw/zinc/76/96/01/1195769601.db2.gz PXOFTPWTIBWUMT-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OCC ZINC000069058805 1195769605 /nfs/dbraw/zinc/76/96/05/1195769605.db2.gz PXOFTPWTIBWUMT-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000069448115 1195795517 /nfs/dbraw/zinc/79/55/17/1195795517.db2.gz PUOBSIHBPXDWDU-QGZVFWFLSA-N 2 2 312.417 3.075 20 0 DGADLP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000069448115 1195795519 /nfs/dbraw/zinc/79/55/19/1195795519.db2.gz PUOBSIHBPXDWDU-QGZVFWFLSA-N 2 2 312.417 3.075 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000069747556 1195816879 /nfs/dbraw/zinc/81/68/79/1195816879.db2.gz ATVZYTBIGYRLSV-UHFFFAOYSA-N 2 2 324.468 3.425 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001655130136 1195879462 /nfs/dbraw/zinc/87/94/62/1195879462.db2.gz AGHJWQZWURWRGN-JKSUJKDBSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001655130136 1195879466 /nfs/dbraw/zinc/87/94/66/1195879466.db2.gz AGHJWQZWURWRGN-JKSUJKDBSA-N 2 2 305.466 3.387 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1Cl ZINC001655168966 1195886361 /nfs/dbraw/zinc/88/63/61/1195886361.db2.gz MFDFWFRMYSFERH-MRXNPFEDSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1Cl ZINC001655168966 1195886365 /nfs/dbraw/zinc/88/63/65/1195886365.db2.gz MFDFWFRMYSFERH-MRXNPFEDSA-N 2 2 310.869 3.095 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001655168382 1195886438 /nfs/dbraw/zinc/88/64/38/1195886438.db2.gz AHGIQDNPMCYFLN-FQEVSTJZSA-N 2 2 316.489 3.401 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001655168382 1195886449 /nfs/dbraw/zinc/88/64/49/1195886449.db2.gz AHGIQDNPMCYFLN-FQEVSTJZSA-N 2 2 316.489 3.401 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCSC1 ZINC001655745543 1195958787 /nfs/dbraw/zinc/95/87/87/1195958787.db2.gz GHCRWOUWWOSJMS-QDLOVBKTSA-N 2 2 312.429 3.005 20 0 DGADLP Cc1nccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001655910622 1195976766 /nfs/dbraw/zinc/97/67/66/1195976766.db2.gz PPTWDBVABVXHBA-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1nccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001655910622 1195976769 /nfs/dbraw/zinc/97/67/69/1195976769.db2.gz PPTWDBVABVXHBA-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910535 1195976888 /nfs/dbraw/zinc/97/68/88/1195976888.db2.gz MMXDFMCPCXBLHJ-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cn(C)nc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910535 1195976891 /nfs/dbraw/zinc/97/68/91/1195976891.db2.gz MMXDFMCPCXBLHJ-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)nc(C(C)C)[nH+]1 ZINC001655956113 1195982419 /nfs/dbraw/zinc/98/24/19/1195982419.db2.gz ZAZJKHFKKGHDJC-RBSFLKMASA-N 2 2 302.466 3.476 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)nc(C(C)C)[nH+]1 ZINC001655956113 1195982421 /nfs/dbraw/zinc/98/24/21/1195982421.db2.gz ZAZJKHFKKGHDJC-RBSFLKMASA-N 2 2 302.466 3.476 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC001656031223 1195989205 /nfs/dbraw/zinc/98/92/05/1195989205.db2.gz AYEFYILCLPVAER-UHFFFAOYSA-N 2 2 320.868 3.346 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC001656031223 1195989208 /nfs/dbraw/zinc/98/92/08/1195989208.db2.gz AYEFYILCLPVAER-UHFFFAOYSA-N 2 2 320.868 3.346 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC001656046731 1195991608 /nfs/dbraw/zinc/99/16/08/1195991608.db2.gz JEECFGKRARNKPE-MOPGFXCFSA-N 2 2 308.510 3.293 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCCC1 ZINC001656064015 1195993941 /nfs/dbraw/zinc/99/39/41/1195993941.db2.gz PGZDUTMHGRDPQG-OAHLLOKOSA-N 2 2 323.506 3.206 20 0 DGADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001656078554 1195995563 /nfs/dbraw/zinc/99/55/63/1195995563.db2.gz KPVKZGASVBVNAB-XLIONFOSSA-N 2 2 316.489 3.435 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)CC2 ZINC001656245747 1196023094 /nfs/dbraw/zinc/02/30/94/1196023094.db2.gz VWHFWAZYUBANFB-QFBILLFUSA-N 2 2 316.489 3.263 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)CC2 ZINC001656245748 1196023558 /nfs/dbraw/zinc/02/35/58/1196023558.db2.gz VWHFWAZYUBANFB-VQIMIIECSA-N 2 2 316.489 3.263 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656389803 1196034729 /nfs/dbraw/zinc/03/47/29/1196034729.db2.gz NWSXXNFIHFTURQ-CYBMUJFWSA-N 2 2 313.426 3.360 20 0 DGADLP Cc1c(Cl)cccc1N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001656437989 1196040383 /nfs/dbraw/zinc/04/03/83/1196040383.db2.gz YLIQLAYQBOJILB-INIZCTEOSA-N 2 2 321.896 3.255 20 0 DGADLP Cc1c(Cl)cccc1N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001656437989 1196040386 /nfs/dbraw/zinc/04/03/86/1196040386.db2.gz YLIQLAYQBOJILB-INIZCTEOSA-N 2 2 321.896 3.255 20 0 DGADLP CCCc1cccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001656692137 1196061982 /nfs/dbraw/zinc/06/19/82/1196061982.db2.gz OCZAKSQJNRUGQV-IRXDYDNUSA-N 2 2 304.478 3.228 20 0 DGADLP CC[C@H](C)C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001656692327 1196062125 /nfs/dbraw/zinc/06/21/25/1196062125.db2.gz RXMLSDQWPHXZOW-KRWDZBQOSA-N 2 2 303.494 3.143 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001656746402 1196067999 /nfs/dbraw/zinc/06/79/99/1196067999.db2.gz JGUQGEUWJAFENY-UHFFFAOYSA-N 2 2 318.383 3.448 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001656746402 1196068000 /nfs/dbraw/zinc/06/80/00/1196068000.db2.gz JGUQGEUWJAFENY-UHFFFAOYSA-N 2 2 318.383 3.448 20 0 DGADLP COc1ccc(F)c(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001656787536 1196071352 /nfs/dbraw/zinc/07/13/52/1196071352.db2.gz SXGLGMREEPMWSG-GJZGRUSLSA-N 2 2 308.441 3.292 20 0 DGADLP COc1ccc(F)c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001656787535 1196071461 /nfs/dbraw/zinc/07/14/61/1196071461.db2.gz SXGLGMREEPMWSG-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP COc1ccc(F)c(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001656787535 1196071463 /nfs/dbraw/zinc/07/14/63/1196071463.db2.gz SXGLGMREEPMWSG-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226807 1196120850 /nfs/dbraw/zinc/12/08/50/1196120850.db2.gz GVVGJGDHHAPQME-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226807 1196120852 /nfs/dbraw/zinc/12/08/52/1196120852.db2.gz GVVGJGDHHAPQME-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226807 1196120856 /nfs/dbraw/zinc/12/08/56/1196120856.db2.gz GVVGJGDHHAPQME-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226807 1196120859 /nfs/dbraw/zinc/12/08/59/1196120859.db2.gz GVVGJGDHHAPQME-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP CCC[C@H](C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC001657404872 1196138119 /nfs/dbraw/zinc/13/81/19/1196138119.db2.gz DFRQBQSWERJMAU-GOSISDBHSA-N 2 2 319.493 3.435 20 0 DGADLP CCC[C@H](C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC001657404872 1196138121 /nfs/dbraw/zinc/13/81/21/1196138121.db2.gz DFRQBQSWERJMAU-GOSISDBHSA-N 2 2 319.493 3.435 20 0 DGADLP CC[NH+]1CCC(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001657893178 1196191231 /nfs/dbraw/zinc/19/12/31/1196191231.db2.gz AEXPHYLKUQEEBA-UHFFFAOYSA-N 3 2 321.553 3.354 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001658631953 1196282284 /nfs/dbraw/zinc/28/22/84/1196282284.db2.gz QXYXOYYGCBXITG-HOCLYGCPSA-N 2 2 322.449 3.009 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001658631953 1196282287 /nfs/dbraw/zinc/28/22/87/1196282287.db2.gz QXYXOYYGCBXITG-HOCLYGCPSA-N 2 2 322.449 3.009 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ncccc2F)[nH+]1 ZINC001658874733 1196312323 /nfs/dbraw/zinc/31/23/23/1196312323.db2.gz JHAZSFMBWYTCHB-AWEZNQCLSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ncccc2F)[nH+]1 ZINC001658874733 1196312325 /nfs/dbraw/zinc/31/23/25/1196312325.db2.gz JHAZSFMBWYTCHB-AWEZNQCLSA-N 2 2 300.381 3.001 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001659114910 1196346402 /nfs/dbraw/zinc/34/64/02/1196346402.db2.gz RGMNSSISROVABR-INIZCTEOSA-N 2 2 313.449 3.315 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001659114910 1196346406 /nfs/dbraw/zinc/34/64/06/1196346406.db2.gz RGMNSSISROVABR-INIZCTEOSA-N 2 2 313.449 3.315 20 0 DGADLP COc1ccc(F)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC001659705646 1196407176 /nfs/dbraw/zinc/40/71/76/1196407176.db2.gz JTKYNLYYUKCTEG-UHFFFAOYSA-N 2 2 308.441 3.434 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC001659774572 1196413136 /nfs/dbraw/zinc/41/31/36/1196413136.db2.gz GYZLQVKFBJJXHL-CQSZACIVSA-N 2 2 305.853 3.438 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC001659774572 1196413138 /nfs/dbraw/zinc/41/31/38/1196413138.db2.gz GYZLQVKFBJJXHL-CQSZACIVSA-N 2 2 305.853 3.438 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000075760854 1196418449 /nfs/dbraw/zinc/41/84/49/1196418449.db2.gz WNWQORSSTHEKKD-UHFFFAOYSA-N 2 2 312.404 3.498 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660371070 1196476459 /nfs/dbraw/zinc/47/64/59/1196476459.db2.gz YSTWXPWJBKGJCH-QAPCUYQASA-N 2 2 305.466 3.033 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660371070 1196476462 /nfs/dbraw/zinc/47/64/62/1196476462.db2.gz YSTWXPWJBKGJCH-QAPCUYQASA-N 2 2 305.466 3.033 20 0 DGADLP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678389 1196511442 /nfs/dbraw/zinc/51/14/42/1196511442.db2.gz WXOKQRLDNYHLNS-OWCLPIDISA-N 2 2 305.466 3.385 20 0 DGADLP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678389 1196511446 /nfs/dbraw/zinc/51/14/46/1196511446.db2.gz WXOKQRLDNYHLNS-OWCLPIDISA-N 2 2 305.466 3.385 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188683 1196691786 /nfs/dbraw/zinc/69/17/86/1196691786.db2.gz VOBGNLMLENBUJF-ZIAGYGMSSA-N 2 2 324.900 3.299 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188683 1196691787 /nfs/dbraw/zinc/69/17/87/1196691787.db2.gz VOBGNLMLENBUJF-ZIAGYGMSSA-N 2 2 324.900 3.299 20 0 DGADLP Cc1ccc(Br)c(F)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC001662540046 1196729043 /nfs/dbraw/zinc/72/90/43/1196729043.db2.gz IJNASLXMUVRJAA-JTQLQIEISA-N 2 2 317.246 3.184 20 0 DGADLP COc1ccc(OC)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000079000657 1196847342 /nfs/dbraw/zinc/84/73/42/1196847342.db2.gz VAJBQRZPRKDQCS-QGZVFWFLSA-N 2 2 317.433 3.105 20 0 DGADLP Cc1csc([C@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC001664195001 1196978657 /nfs/dbraw/zinc/97/86/57/1196978657.db2.gz SANBOXCGFDCGPU-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Fc1cccnc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001664483636 1197004635 /nfs/dbraw/zinc/00/46/35/1197004635.db2.gz RYDPYHPYLGBAQL-UHFFFAOYSA-N 2 2 314.408 3.133 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001665259315 1197116076 /nfs/dbraw/zinc/11/60/76/1197116076.db2.gz KZQBSDWQEAXVGF-VMBOVVBDSA-N 2 2 322.493 3.103 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001665259315 1197116077 /nfs/dbraw/zinc/11/60/77/1197116077.db2.gz KZQBSDWQEAXVGF-VMBOVVBDSA-N 2 2 322.493 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@H]2CC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC001691898097 1197899636 /nfs/dbraw/zinc/89/96/36/1197899636.db2.gz IYMBRCLLBNJJTQ-KRWDZBQOSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@H]2CC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC001691898097 1197899645 /nfs/dbraw/zinc/89/96/45/1197899645.db2.gz IYMBRCLLBNJJTQ-KRWDZBQOSA-N 2 2 317.477 3.105 20 0 DGADLP CCCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000107716538 1199588388 /nfs/dbraw/zinc/58/83/88/1199588388.db2.gz ZNVWHPWHUXBSRG-UHFFFAOYSA-N 2 2 322.412 3.346 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000120065515 1200130735 /nfs/dbraw/zinc/13/07/35/1200130735.db2.gz CFRWXJNLOAGVFX-YLJYHZDGSA-N 2 2 315.505 3.112 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001754318152 1200204755 /nfs/dbraw/zinc/20/47/55/1200204755.db2.gz KGKRLCCDOIIGBJ-INIZCTEOSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001754318152 1200204759 /nfs/dbraw/zinc/20/47/59/1200204759.db2.gz KGKRLCCDOIIGBJ-INIZCTEOSA-N 2 2 319.493 3.493 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000121675875 1200225367 /nfs/dbraw/zinc/22/53/67/1200225367.db2.gz AHPBXRAGQZZHOE-UHFFFAOYSA-N 2 2 312.461 3.383 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121841766 1200241588 /nfs/dbraw/zinc/24/15/88/1200241588.db2.gz HLONEGDWSMHXIH-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121841766 1200241596 /nfs/dbraw/zinc/24/15/96/1200241596.db2.gz HLONEGDWSMHXIH-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CCCCC[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001690854922 1200751489 /nfs/dbraw/zinc/75/14/89/1200751489.db2.gz VFEPKIFZCNZEQV-CQSZACIVSA-N 2 2 305.466 3.295 20 0 DGADLP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001755360430 1200843053 /nfs/dbraw/zinc/84/30/53/1200843053.db2.gz XHZBAWSZGVYOMF-INIZCTEOSA-N 2 2 305.466 3.293 20 0 DGADLP Cc1ccc(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131292512 1201146265 /nfs/dbraw/zinc/14/62/65/1201146265.db2.gz RCLOEGUELMJIJQ-KRWDZBQOSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1ccc(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131292512 1201146272 /nfs/dbraw/zinc/14/62/72/1201146272.db2.gz RCLOEGUELMJIJQ-KRWDZBQOSA-N 2 2 313.445 3.062 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000136296836 1201210937 /nfs/dbraw/zinc/21/09/37/1201210937.db2.gz BGSUDVNPJHFTOC-HOCLYGCPSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000136296836 1201210943 /nfs/dbraw/zinc/21/09/43/1201210943.db2.gz BGSUDVNPJHFTOC-HOCLYGCPSA-N 2 2 301.459 3.286 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001699290564 1201778822 /nfs/dbraw/zinc/77/88/22/1201778822.db2.gz UCEBJOGKRDKKCX-VOTSOKGWSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]C(C)C)CCCC2)c(C)[nH+]1 ZINC001753666161 1202309057 /nfs/dbraw/zinc/30/90/57/1202309057.db2.gz AQFAMAIBZAUHBJ-UHFFFAOYSA-N 2 2 303.450 3.047 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001700904240 1202368384 /nfs/dbraw/zinc/36/83/84/1202368384.db2.gz YQAJSFYPRNUBIU-IRXDYDNUSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4c(C)cccn34)ccc2n1C ZINC000151968643 1202593525 /nfs/dbraw/zinc/59/35/25/1202593525.db2.gz RZFLICFVOBZZHC-UHFFFAOYSA-N 2 2 305.385 3.450 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2)C[NH+]1CCCC1 ZINC000152196032 1202593945 /nfs/dbraw/zinc/59/39/45/1202593945.db2.gz NGOXVFBPSYMJMQ-KGLIPLIRSA-N 2 2 307.507 3.089 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000237109930 1202647714 /nfs/dbraw/zinc/64/77/14/1202647714.db2.gz DMDGKOYAIDHUSH-UHFFFAOYSA-N 2 2 317.260 3.194 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237409276 1202673410 /nfs/dbraw/zinc/67/34/10/1202673410.db2.gz YFJPZRDJDIPPHB-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000237409276 1202673411 /nfs/dbraw/zinc/67/34/11/1202673411.db2.gz YFJPZRDJDIPPHB-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP CCC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001714848270 1203149928 /nfs/dbraw/zinc/14/99/28/1203149928.db2.gz QLRASJGYMCGVDG-GOSISDBHSA-N 2 2 322.412 3.034 20 0 DGADLP CCN(CC[NH2+]CC=C(C)C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001715744568 1203386677 /nfs/dbraw/zinc/38/66/77/1203386677.db2.gz MQXSVSUCXUKION-UHFFFAOYSA-N 2 2 303.450 3.025 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CCC(C)C)C2CC2)c(C)[nH+]1 ZINC001716616887 1203506785 /nfs/dbraw/zinc/50/67/85/1203506785.db2.gz XYCAJOFCNLWXGL-KRWDZBQOSA-N 2 2 317.477 3.151 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000258707586 1203910165 /nfs/dbraw/zinc/91/01/65/1203910165.db2.gz FLSVWUTUYAUVRA-LBPRGKRZSA-N 2 2 315.230 3.208 20 0 DGADLP CCCC[NH2+]CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725392630 1204144746 /nfs/dbraw/zinc/14/47/46/1204144746.db2.gz GTQRJNZBMUVWAT-CQSZACIVSA-N 2 2 305.466 3.295 20 0 DGADLP CCCC[C@@H](C[NH2+]CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734095414 1205320443 /nfs/dbraw/zinc/32/04/43/1205320443.db2.gz ZMHIDQYEAJMUPR-HNNXBMFYSA-N 2 2 316.449 3.097 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Br)o1 ZINC001255951061 1105717265 /nfs/dbraw/zinc/71/72/65/1105717265.db2.gz MOLNHBRXCXHJEB-NSHDSACASA-N 2 2 303.244 3.252 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760252 1081596004 /nfs/dbraw/zinc/59/60/04/1081596004.db2.gz BPQPFFQYAZGDDY-OLFUXVJTSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760252 1081596010 /nfs/dbraw/zinc/59/60/10/1081596010.db2.gz BPQPFFQYAZGDDY-OLFUXVJTSA-N 2 2 323.278 3.482 20 0 DGADLP CC(C)(c1ccnc(Cl)c1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001167059947 1081620163 /nfs/dbraw/zinc/62/01/63/1081620163.db2.gz LIFFJBORXVVKMP-LBPRGKRZSA-N 2 2 304.825 3.182 20 0 DGADLP Cc1cccc(C)c1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209452978 1081757354 /nfs/dbraw/zinc/75/73/54/1081757354.db2.gz AZVXNBVUUJAUGS-UHFFFAOYSA-N 2 2 315.505 3.301 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001170098054 1082088573 /nfs/dbraw/zinc/08/85/73/1082088573.db2.gz KUHQTQFLEARGKJ-CRAIPNDOSA-N 2 2 302.462 3.438 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCSCc2csc(C[NH+](C)C)n2)C1 ZINC001170104164 1082101798 /nfs/dbraw/zinc/10/17/98/1082101798.db2.gz JQGZMMXNSLEWGJ-STQMWFEESA-N 2 2 313.536 3.216 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446507 1082229036 /nfs/dbraw/zinc/22/90/36/1082229036.db2.gz JJYVFWXCRRRIPE-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446507 1082229043 /nfs/dbraw/zinc/22/90/43/1082229043.db2.gz JJYVFWXCRRRIPE-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446507 1082229047 /nfs/dbraw/zinc/22/90/47/1082229047.db2.gz JJYVFWXCRRRIPE-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446507 1082229052 /nfs/dbraw/zinc/22/90/52/1082229052.db2.gz JJYVFWXCRRRIPE-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267136114 1082553044 /nfs/dbraw/zinc/55/30/44/1082553044.db2.gz RQYNAAQYQWVJJV-CQSZACIVSA-N 2 2 303.450 3.071 20 0 DGADLP CC[NH+](CC)Cc1cccc(NCc2cc[nH+]c(N)c2)c1F ZINC001167618855 1082612796 /nfs/dbraw/zinc/61/27/96/1082612796.db2.gz OCPXOKOSLNEQDG-UHFFFAOYSA-N 2 2 302.397 3.257 20 0 DGADLP CCOC(=O)c1ccc(NC(=[NH2+])SCC[NH3+])c2ccccc12 ZINC001167912990 1082631812 /nfs/dbraw/zinc/63/18/12/1082631812.db2.gz UTAWEIORXNELIB-UHFFFAOYSA-N 2 2 317.414 3.055 20 0 DGADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(OC(F)(F)F)c1 ZINC001143462287 1082930671 /nfs/dbraw/zinc/93/06/71/1082930671.db2.gz GMVGSADOHLALTJ-UHFFFAOYSA-N 2 2 304.356 3.277 20 0 DGADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(OC(F)(F)F)c1 ZINC001143462287 1082930674 /nfs/dbraw/zinc/93/06/74/1082930674.db2.gz GMVGSADOHLALTJ-UHFFFAOYSA-N 2 2 304.356 3.277 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[N@@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001267586624 1083105953 /nfs/dbraw/zinc/10/59/53/1083105953.db2.gz WBIRWIOZAUBQSL-QGZVFWFLSA-N 2 2 317.477 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[N@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001267586624 1083105956 /nfs/dbraw/zinc/10/59/56/1083105956.db2.gz WBIRWIOZAUBQSL-QGZVFWFLSA-N 2 2 317.477 3.057 20 0 DGADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170716593 1083222552 /nfs/dbraw/zinc/22/25/52/1083222552.db2.gz QPQYXKWBJNAENE-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170716593 1083222556 /nfs/dbraw/zinc/22/25/56/1083222556.db2.gz QPQYXKWBJNAENE-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccc(O)cc4)CC3)C[C@@H]21 ZINC001170731297 1083244504 /nfs/dbraw/zinc/24/45/04/1083244504.db2.gz PELRBJAQHRALLZ-LUPIEILUSA-N 2 2 314.473 3.381 20 0 DGADLP c1cn2ccc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)cc2[nH+]1 ZINC001170753262 1083298783 /nfs/dbraw/zinc/29/87/83/1083298783.db2.gz COAHJAHPRAFAKM-IBGZPJMESA-N 2 2 320.440 3.453 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141115786 1083339563 /nfs/dbraw/zinc/33/95/63/1083339563.db2.gz JBHCZBLCPHLGSR-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141115786 1083339564 /nfs/dbraw/zinc/33/95/64/1083339564.db2.gz JBHCZBLCPHLGSR-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC001181243878 1083430295 /nfs/dbraw/zinc/43/02/95/1083430295.db2.gz LBDZPSHFHDZHLV-UHFFFAOYSA-N 2 2 316.489 3.266 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC001181243878 1083430302 /nfs/dbraw/zinc/43/03/02/1083430302.db2.gz LBDZPSHFHDZHLV-UHFFFAOYSA-N 2 2 316.489 3.266 20 0 DGADLP COc1c(Cl)ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205266992 1083936638 /nfs/dbraw/zinc/93/66/38/1083936638.db2.gz ZLOQJFYQKOJENV-OAHLLOKOSA-N 2 2 300.805 3.191 20 0 DGADLP COc1c(Cl)ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205266992 1083936652 /nfs/dbraw/zinc/93/66/52/1083936652.db2.gz ZLOQJFYQKOJENV-OAHLLOKOSA-N 2 2 300.805 3.191 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205280866 1084018803 /nfs/dbraw/zinc/01/88/03/1084018803.db2.gz KQPACIHVSVCDKY-ZDUSSCGKSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205280866 1084018807 /nfs/dbraw/zinc/01/88/07/1084018807.db2.gz KQPACIHVSVCDKY-ZDUSSCGKSA-N 2 2 321.774 3.457 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001184067938 1084091274 /nfs/dbraw/zinc/09/12/74/1084091274.db2.gz UXKKDKFXXHZGCL-MJGOQNOKSA-N 2 2 302.462 3.105 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001184067938 1084091282 /nfs/dbraw/zinc/09/12/82/1084091282.db2.gz UXKKDKFXXHZGCL-MJGOQNOKSA-N 2 2 302.462 3.105 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001184067938 1084091292 /nfs/dbraw/zinc/09/12/92/1084091292.db2.gz UXKKDKFXXHZGCL-MJGOQNOKSA-N 2 2 302.462 3.105 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001184067938 1084091301 /nfs/dbraw/zinc/09/13/01/1084091301.db2.gz UXKKDKFXXHZGCL-MJGOQNOKSA-N 2 2 302.462 3.105 20 0 DGADLP Cc1cc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc(OC(F)(F)F)c1 ZINC001205331485 1084466473 /nfs/dbraw/zinc/46/64/73/1084466473.db2.gz GPNSRHLZBCTKPJ-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc(OC(F)(F)F)c1 ZINC001205331485 1084466475 /nfs/dbraw/zinc/46/64/75/1084466475.db2.gz GPNSRHLZBCTKPJ-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)CC2CCCCC2)nc(C)[nH+]1 ZINC001185898860 1084549143 /nfs/dbraw/zinc/54/91/43/1084549143.db2.gz QXCIZSQKKQTCKL-UHFFFAOYSA-N 2 2 304.482 3.296 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC001167911663 1084621257 /nfs/dbraw/zinc/62/12/57/1084621257.db2.gz CPWRKRCGOJLYGP-VQFNDLOPSA-N 2 2 300.446 3.048 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167914869 1084647485 /nfs/dbraw/zinc/64/74/85/1084647485.db2.gz XPXZHBVDGNJNDU-ALXJQNPVSA-N 2 2 302.437 3.487 20 0 DGADLP CN(CCC[NH2+]CCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268801326 1085056977 /nfs/dbraw/zinc/05/69/77/1085056977.db2.gz FOBYDFJGXNKJTP-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP Cn1c2ccccc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962296 1085756746 /nfs/dbraw/zinc/75/67/46/1085756746.db2.gz WHBSTKCIBVJBFR-ALOPSCKCSA-N 2 2 324.472 3.068 20 0 DGADLP Cn1c2ccccc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962296 1085756751 /nfs/dbraw/zinc/75/67/51/1085756751.db2.gz WHBSTKCIBVJBFR-ALOPSCKCSA-N 2 2 324.472 3.068 20 0 DGADLP Cc1[nH]c2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)cc2[nH+]1 ZINC001167982755 1085936122 /nfs/dbraw/zinc/93/61/22/1085936122.db2.gz KLUHNFMKXYHMNC-UHFFFAOYSA-N 2 2 306.369 3.022 20 0 DGADLP CCC[N@H+](CCC[NH3+])C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009241 1086177510 /nfs/dbraw/zinc/17/75/10/1086177510.db2.gz HNRIIFIEEPJQQI-QZTJIDSGSA-N 3 2 317.521 3.489 20 0 DGADLP CCC[N@@H+](CCC[NH3+])C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009241 1086177515 /nfs/dbraw/zinc/17/75/15/1086177515.db2.gz HNRIIFIEEPJQQI-QZTJIDSGSA-N 3 2 317.521 3.489 20 0 DGADLP C[C@H]1CC([N@@H+]2CCOC3(CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058657 1086633338 /nfs/dbraw/zinc/63/33/38/1086633338.db2.gz QPWAKBJFKPDFAY-IRXDYDNUSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1CC([N@H+]2CCOC3(CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058657 1086633342 /nfs/dbraw/zinc/63/33/42/1086633342.db2.gz QPWAKBJFKPDFAY-IRXDYDNUSA-N 2 2 314.473 3.293 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCC[NH2+]CC2)c(F)c1 ZINC001204685162 1086742857 /nfs/dbraw/zinc/74/28/57/1086742857.db2.gz UVZLBSARLNMJOW-UHFFFAOYSA-N 2 2 302.368 3.427 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@H+]2CCC[NH2+]CC2)c(F)c1 ZINC001204685162 1086742861 /nfs/dbraw/zinc/74/28/61/1086742861.db2.gz UVZLBSARLNMJOW-UHFFFAOYSA-N 2 2 302.368 3.427 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168093119 1086851288 /nfs/dbraw/zinc/85/12/88/1086851288.db2.gz LZALHVSGJAZFRO-DNVCBOLYSA-N 2 2 320.452 3.256 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001168101240 1086882972 /nfs/dbraw/zinc/88/29/72/1086882972.db2.gz HYHJQTQYWRMLOM-QCCNOGHNSA-N 2 2 320.521 3.290 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001168232183 1087065799 /nfs/dbraw/zinc/06/57/99/1087065799.db2.gz UYSIFBRTYNXDNL-PBHICJAKSA-N 2 2 310.376 3.342 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001168264421 1087088810 /nfs/dbraw/zinc/08/88/10/1087088810.db2.gz SKWGQVUMKKFSOR-QGZVFWFLSA-N 2 2 324.424 3.101 20 0 DGADLP C[C@@H]1C[C@@H](Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)c2ccccc21 ZINC001158474733 1087852129 /nfs/dbraw/zinc/85/21/29/1087852129.db2.gz SXJVGLYSVIQCPS-CRAIPNDOSA-N 2 2 322.456 3.494 20 0 DGADLP COc1ccc(C)[nH+]c1N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001158488223 1087865269 /nfs/dbraw/zinc/86/52/69/1087865269.db2.gz OAMAHKWDSKLFTK-UHFFFAOYSA-N 2 2 303.450 3.242 20 0 DGADLP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000715188007 1087905712 /nfs/dbraw/zinc/90/57/12/1087905712.db2.gz XCBCAOHJJKEFRK-MHJFOBGBSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000715188007 1087905727 /nfs/dbraw/zinc/90/57/27/1087905727.db2.gz XCBCAOHJJKEFRK-MHJFOBGBSA-N 3 2 315.505 3.113 20 0 DGADLP CCCN(CCC)c1cc(NC(C)(C)CC[NH+](C)C)[nH+]cn1 ZINC001158760958 1088014608 /nfs/dbraw/zinc/01/46/08/1088014608.db2.gz SSSTUPBZSMEKHO-UHFFFAOYSA-N 2 2 307.486 3.245 20 0 DGADLP CCCN(CCC)c1cc(NC(C)(C)CC[NH+](C)C)nc[nH+]1 ZINC001158760958 1088014622 /nfs/dbraw/zinc/01/46/22/1088014622.db2.gz SSSTUPBZSMEKHO-UHFFFAOYSA-N 2 2 307.486 3.245 20 0 DGADLP CCCN(CCC)c1cc(NCC23CC[NH+](CC2)CC3)[nH+]cn1 ZINC001158826461 1088054382 /nfs/dbraw/zinc/05/43/82/1088054382.db2.gz BJVVIZOGHPWTIV-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CCCN(CCC)c1cc(NCC23CC[NH+](CC2)CC3)nc[nH+]1 ZINC001158826461 1088054397 /nfs/dbraw/zinc/05/43/97/1088054397.db2.gz BJVVIZOGHPWTIV-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP Cc1cccc(C)c1N(CC1CC[NH2+]CC1)c1[nH+]cccc1N ZINC001159330646 1088299940 /nfs/dbraw/zinc/29/99/40/1088299940.db2.gz RTXWATXFLDKXJD-UHFFFAOYSA-N 2 2 310.445 3.418 20 0 DGADLP c1cn(-c2ccccc2Nc2ccc(N3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159446966 1088354022 /nfs/dbraw/zinc/35/40/22/1088354022.db2.gz GWVJPSQAHKFATM-UHFFFAOYSA-N 2 2 319.412 3.026 20 0 DGADLP c1cc2cc[nH+]cc2c(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001159563843 1088395560 /nfs/dbraw/zinc/39/55/60/1088395560.db2.gz MTOPKQAROZXBOC-UHFFFAOYSA-N 2 2 318.424 3.384 20 0 DGADLP CN(C)c1ccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)c[nH+]1 ZINC001159949126 1088567062 /nfs/dbraw/zinc/56/70/62/1088567062.db2.gz LQSSVRVRPRVOOT-QGZVFWFLSA-N 2 2 312.417 3.022 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001160372418 1088766791 /nfs/dbraw/zinc/76/67/91/1088766791.db2.gz PGEKMKYCVLVDBS-UHFFFAOYSA-N 2 2 310.445 3.296 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001160372418 1088766803 /nfs/dbraw/zinc/76/68/03/1088766803.db2.gz PGEKMKYCVLVDBS-UHFFFAOYSA-N 2 2 310.445 3.296 20 0 DGADLP Cc1ccc(-c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nn2)cc1 ZINC001155063476 1088928500 /nfs/dbraw/zinc/92/85/00/1088928500.db2.gz CSMPRYLAUNPXAL-UHFFFAOYSA-N 2 2 319.412 3.105 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160734918 1088936967 /nfs/dbraw/zinc/93/69/67/1088936967.db2.gz BRFGAOCRKBYLKT-TZMCWYRMSA-N 2 2 309.335 3.496 20 0 DGADLP CCSc1cc[nH+]c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160743241 1088938406 /nfs/dbraw/zinc/93/84/06/1088938406.db2.gz MNAJLYXAZSLXNJ-MNOVXSKESA-N 2 2 305.369 3.146 20 0 DGADLP Cc1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc(C(C)(C)C)[nH+]1 ZINC001160743550 1088940163 /nfs/dbraw/zinc/94/01/63/1088940163.db2.gz NJPMHJTVZROMLZ-WDEREUQCSA-N 2 2 316.371 3.035 20 0 DGADLP COc1cccc2c1c(C[NH3+])cn2-c1cc(C(C)C)[nH+]c(C)n1 ZINC001160759814 1088945586 /nfs/dbraw/zinc/94/55/86/1088945586.db2.gz PPALPXJYHVKAMW-UHFFFAOYSA-N 2 2 310.401 3.320 20 0 DGADLP c1cc(NC2CC[NH+](CC3CCOCC3)CC2)[nH+]c(C2CC2)c1 ZINC001161216778 1089155296 /nfs/dbraw/zinc/15/52/96/1089155296.db2.gz YZVAHJXXTZAHTG-UHFFFAOYSA-N 2 2 315.461 3.262 20 0 DGADLP Cc1nc(NC2CC[NH+](CC(C)(C)C)CC2)c2c([nH+]1)CCC2 ZINC001161209105 1089155992 /nfs/dbraw/zinc/15/59/92/1089155992.db2.gz YQWZLFAGJKTMBT-UHFFFAOYSA-N 2 2 302.466 3.196 20 0 DGADLP Cc1ccc2cc[nH+]c(N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001161277577 1089176336 /nfs/dbraw/zinc/17/63/36/1089176336.db2.gz YBCXBIFXWKSWEW-WKILWMFISA-N 2 2 311.429 3.018 20 0 DGADLP c1ccc(CC2(Nc3cc4ccccc4c[nH+]3)CC[NH2+]CC2)nc1 ZINC001161491085 1089261675 /nfs/dbraw/zinc/26/16/75/1089261675.db2.gz FRIWMMFSORKDIC-UHFFFAOYSA-N 2 2 318.424 3.407 20 0 DGADLP Cc1nc(N2CCC([NH3+])(CC3CCC3)CC2)cc(C(C)C)[nH+]1 ZINC001161569095 1089291778 /nfs/dbraw/zinc/29/17/78/1089291778.db2.gz BTESERWCAUEVPQ-UHFFFAOYSA-N 2 2 302.466 3.396 20 0 DGADLP CC(C)(C)c1ccc(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]c1 ZINC001161586847 1089299070 /nfs/dbraw/zinc/29/90/70/1089299070.db2.gz GWYSOPQMTQKZDI-UHFFFAOYSA-N 2 2 310.445 3.229 20 0 DGADLP COc1cc[nH+]c(C(C)(C)CNc2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001162130517 1089563859 /nfs/dbraw/zinc/56/38/59/1089563859.db2.gz CQAAHAMJAHZPAN-UHFFFAOYSA-N 2 2 323.400 3.061 20 0 DGADLP CCOc1cc[nH+]c(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001156783248 1089692377 /nfs/dbraw/zinc/69/23/77/1089692377.db2.gz ISYYBGDCLWFGRK-UHFFFAOYSA-N 2 2 308.385 3.302 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cccc2OCc2ccccc2F)C1 ZINC001162396445 1089713617 /nfs/dbraw/zinc/71/36/17/1089713617.db2.gz ZXXVHJWRMZHRPD-LSDHHAIUSA-N 2 2 315.392 3.482 20 0 DGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001162461338 1089745080 /nfs/dbraw/zinc/74/50/80/1089745080.db2.gz OSJZCQLABZEWLW-DOTOQJQBSA-N 2 2 310.445 3.115 20 0 DGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162469208 1089748555 /nfs/dbraw/zinc/74/85/55/1089748555.db2.gz AANPWRCYYNEGBQ-KBPBESRZSA-N 2 2 302.397 3.059 20 0 DGADLP F[C@@H]1C[NH2+][C@H](CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)C1 ZINC001162478324 1089753021 /nfs/dbraw/zinc/75/30/21/1089753021.db2.gz YKKPGKOVYJZCQV-ZFWWWQNUSA-N 2 2 310.376 3.137 20 0 DGADLP C[C@@H]1CCCC[C@H]1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529836 1089774767 /nfs/dbraw/zinc/77/47/67/1089774767.db2.gz DXQVXDOCSZSKAW-BPQIPLTHSA-N 2 2 301.478 3.458 20 0 DGADLP C[C@@H]1CCCC[C@H]1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529836 1089774782 /nfs/dbraw/zinc/77/47/82/1089774782.db2.gz DXQVXDOCSZSKAW-BPQIPLTHSA-N 2 2 301.478 3.458 20 0 DGADLP [NH3+]Cc1ccnn1-c1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001162597024 1089817791 /nfs/dbraw/zinc/81/77/91/1089817791.db2.gz AMQVYYLBBIPNOD-UHFFFAOYSA-N 2 2 323.787 3.299 20 0 DGADLP Cc1cc(N2CCCC[C@]23CCC[NH2+]C3)nc(C(C)(C)C)[nH+]1 ZINC001157472844 1089985716 /nfs/dbraw/zinc/98/57/16/1089985716.db2.gz LFGUOBBTNHHGLI-GOSISDBHSA-N 2 2 302.466 3.195 20 0 DGADLP CCCC(C[NH3+])(CCC)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001163040798 1090060845 /nfs/dbraw/zinc/06/08/45/1090060845.db2.gz RQHLCRJBUINTIE-UHFFFAOYSA-N 2 2 305.470 3.177 20 0 DGADLP Cc1ccc2cc[nH+]c(Nc3ccc([C@H](C[NH3+])CO)cc3)c2c1 ZINC001163053691 1090063217 /nfs/dbraw/zinc/06/32/17/1090063217.db2.gz UAPUEOBMKDYATC-MRXNPFEDSA-N 2 2 307.397 3.321 20 0 DGADLP Cc1cccc2cc[nH+]c(Nc3ccc([C@@H](C[NH3+])CO)cc3)c12 ZINC001163058322 1090065016 /nfs/dbraw/zinc/06/50/16/1090065016.db2.gz GRPWGSFAWDDHOL-INIZCTEOSA-N 2 2 307.397 3.321 20 0 DGADLP CCCCc1nc(N[C@H]2C[NH2+]Cc3ccsc32)cc(C)[nH+]1 ZINC001163220351 1090121245 /nfs/dbraw/zinc/12/12/45/1090121245.db2.gz CRJGVVQZOGVTNI-ZDUSSCGKSA-N 2 2 302.447 3.446 20 0 DGADLP FC(F)(F)C1(c2ccc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]c2)CC1 ZINC001163261621 1090133435 /nfs/dbraw/zinc/13/34/35/1090133435.db2.gz GNKUZSZURDSHQE-WXHSDQCUSA-N 2 2 311.351 3.085 20 0 DGADLP Cc1cc(N(CC(C)(C)C)C2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC001157891859 1090144103 /nfs/dbraw/zinc/14/41/03/1090144103.db2.gz VRAKKDXVZUIYMR-UHFFFAOYSA-N 2 2 302.466 3.267 20 0 DGADLP COc1cccc([C@@H](C[NH3+])Nc2cc(C)[nH+]c(C(C)(C)C)n2)c1 ZINC001163311418 1090147673 /nfs/dbraw/zinc/14/76/73/1090147673.db2.gz DOCVZGDNWSFHLK-OAHLLOKOSA-N 2 2 314.433 3.203 20 0 DGADLP Cc1csc2ccc(NCC3([NH+](C)C)CC[NH+](C)CC3)nc12 ZINC001164207164 1090372270 /nfs/dbraw/zinc/37/22/70/1090372270.db2.gz RYCNUQGYBNOQST-UHFFFAOYSA-N 2 2 318.490 3.043 20 0 DGADLP Cc1nc(N2CCC(F)(F)[C@@H]([NH3+])C2)cc(C2CCCCC2)[nH+]1 ZINC001164322885 1090400656 /nfs/dbraw/zinc/40/06/56/1090400656.db2.gz HHMHOXZAFIEWTN-AWEZNQCLSA-N 2 2 310.392 3.005 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001165109979 1090465840 /nfs/dbraw/zinc/46/58/40/1090465840.db2.gz AALAMOCCNFBKQK-QGZVFWFLSA-N 2 2 315.461 3.039 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001165109979 1090465843 /nfs/dbraw/zinc/46/58/43/1090465843.db2.gz AALAMOCCNFBKQK-QGZVFWFLSA-N 2 2 315.461 3.039 20 0 DGADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc3ccccc31)CC[NH2+]CC2 ZINC001165351727 1090510249 /nfs/dbraw/zinc/51/02/49/1090510249.db2.gz GUUMAVWFNBRAFE-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP Cc1nc(NCC2C[NH+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC001165427370 1090520924 /nfs/dbraw/zinc/52/09/24/1090520924.db2.gz OWZRNEVTNDMKAN-UHFFFAOYSA-N 2 2 322.456 3.208 20 0 DGADLP Cn1c[nH+]c2ccc(NCC3C[NH+](Cc4ccccc4)C3)cc21 ZINC001165441815 1090521702 /nfs/dbraw/zinc/52/17/02/1090521702.db2.gz DSLPEWOGZKTPJQ-UHFFFAOYSA-N 2 2 306.413 3.117 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)c1C ZINC001203712880 1090787170 /nfs/dbraw/zinc/78/71/70/1090787170.db2.gz MZDWREDIVQOYAQ-UHFFFAOYSA-N 2 2 302.462 3.372 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001203743198 1090793520 /nfs/dbraw/zinc/79/35/20/1090793520.db2.gz NMSDOOUEBGNTIX-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1C ZINC001203757157 1090796996 /nfs/dbraw/zinc/79/69/96/1090796996.db2.gz BWFMZEDXQKEWLC-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1C ZINC001203757157 1090797000 /nfs/dbraw/zinc/79/70/00/1090797000.db2.gz BWFMZEDXQKEWLC-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001203911023 1090836570 /nfs/dbraw/zinc/83/65/70/1090836570.db2.gz JSKDOPVIDQDRAZ-UHFFFAOYSA-N 2 2 311.267 3.365 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001203911023 1090836573 /nfs/dbraw/zinc/83/65/73/1090836573.db2.gz JSKDOPVIDQDRAZ-UHFFFAOYSA-N 2 2 311.267 3.365 20 0 DGADLP CCOC(OCC)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001204129497 1090906134 /nfs/dbraw/zinc/90/61/34/1090906134.db2.gz UQRQMRPSFCZXHC-INIZCTEOSA-N 2 2 320.477 3.028 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001204525475 1090991697 /nfs/dbraw/zinc/99/16/97/1090991697.db2.gz DLRAUJOYOASFBJ-FQEVSTJZSA-N 2 2 316.489 3.379 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001204525475 1090991701 /nfs/dbraw/zinc/99/17/01/1090991701.db2.gz DLRAUJOYOASFBJ-FQEVSTJZSA-N 2 2 316.489 3.379 20 0 DGADLP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CCO1 ZINC001204756456 1091031793 /nfs/dbraw/zinc/03/17/93/1091031793.db2.gz PFYZUNMGDZWSOU-GOSISDBHSA-N 2 2 312.413 3.029 20 0 DGADLP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CCO1 ZINC001204756456 1091031797 /nfs/dbraw/zinc/03/17/97/1091031797.db2.gz PFYZUNMGDZWSOU-GOSISDBHSA-N 2 2 312.413 3.029 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204855749 1091048855 /nfs/dbraw/zinc/04/88/55/1091048855.db2.gz CWWHTMIVZMFZSJ-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204855749 1091048859 /nfs/dbraw/zinc/04/88/59/1091048859.db2.gz CWWHTMIVZMFZSJ-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204924961 1091063649 /nfs/dbraw/zinc/06/36/49/1091063649.db2.gz GULKNSPGKMLZHI-ZDUSSCGKSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204924961 1091063658 /nfs/dbraw/zinc/06/36/58/1091063658.db2.gz GULKNSPGKMLZHI-ZDUSSCGKSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1C ZINC001205067309 1091093436 /nfs/dbraw/zinc/09/34/36/1091093436.db2.gz PXJVGTMIRBAJSO-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205088239 1091099305 /nfs/dbraw/zinc/09/93/05/1091099305.db2.gz LXASYHDBPMXWJH-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205088239 1091099311 /nfs/dbraw/zinc/09/93/11/1091099311.db2.gz LXASYHDBPMXWJH-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001205124214 1091108175 /nfs/dbraw/zinc/10/81/75/1091108175.db2.gz LPTLGCGCAUNFBD-AWEZNQCLSA-N 2 2 305.422 3.262 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001205124214 1091108178 /nfs/dbraw/zinc/10/81/78/1091108178.db2.gz LPTLGCGCAUNFBD-AWEZNQCLSA-N 2 2 305.422 3.262 20 0 DGADLP Cc1c(-c2ccc(OCCC[NH+](C)C)nc2)ccc2[nH+]ccn21 ZINC001205255995 1091151819 /nfs/dbraw/zinc/15/18/19/1091151819.db2.gz ULNFCMXPPPFOFM-UHFFFAOYSA-N 2 2 310.401 3.035 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001205280773 1091162767 /nfs/dbraw/zinc/16/27/67/1091162767.db2.gz INVMWBNFFNECAC-AWEZNQCLSA-N 2 2 302.340 3.114 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001205280773 1091162770 /nfs/dbraw/zinc/16/27/70/1091162770.db2.gz INVMWBNFFNECAC-AWEZNQCLSA-N 2 2 302.340 3.114 20 0 DGADLP C[N@H+](Cc1ncccc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001138396133 1091168315 /nfs/dbraw/zinc/16/83/15/1091168315.db2.gz JLVRRAMFXLBYLP-UHFFFAOYSA-N 2 2 303.450 3.016 20 0 DGADLP C[N@@H+](Cc1ncccc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001138396133 1091168321 /nfs/dbraw/zinc/16/83/21/1091168321.db2.gz JLVRRAMFXLBYLP-UHFFFAOYSA-N 2 2 303.450 3.016 20 0 DGADLP Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC001138548531 1091224889 /nfs/dbraw/zinc/22/48/89/1091224889.db2.gz HDZSNVHYLFAXIT-KRWDZBQOSA-N 2 2 323.400 3.209 20 0 DGADLP Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC001138548531 1091224902 /nfs/dbraw/zinc/22/49/02/1091224902.db2.gz HDZSNVHYLFAXIT-KRWDZBQOSA-N 2 2 323.400 3.209 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001138570952 1091235480 /nfs/dbraw/zinc/23/54/80/1091235480.db2.gz QAIAWPWRLQUHOK-GOSISDBHSA-N 2 2 322.518 3.440 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001138570952 1091235489 /nfs/dbraw/zinc/23/54/89/1091235489.db2.gz QAIAWPWRLQUHOK-GOSISDBHSA-N 2 2 322.518 3.440 20 0 DGADLP COc1ccc2c(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c[nH]c2c1 ZINC001138592282 1091245596 /nfs/dbraw/zinc/24/55/96/1091245596.db2.gz QGHAYXOJTZTQHY-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP COc1ccc2c(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c[nH]c2c1 ZINC001138592282 1091245603 /nfs/dbraw/zinc/24/56/03/1091245603.db2.gz QGHAYXOJTZTQHY-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP c1nocc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001205724509 1091321422 /nfs/dbraw/zinc/32/14/22/1091321422.db2.gz SREQYGASOVQRFI-WJFTUGDTSA-N 2 2 313.445 3.070 20 0 DGADLP c1nocc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001205724509 1091321432 /nfs/dbraw/zinc/32/14/32/1091321432.db2.gz SREQYGASOVQRFI-WJFTUGDTSA-N 2 2 313.445 3.070 20 0 DGADLP c1nocc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001205724509 1091321447 /nfs/dbraw/zinc/32/14/47/1091321447.db2.gz SREQYGASOVQRFI-WJFTUGDTSA-N 2 2 313.445 3.070 20 0 DGADLP c1nocc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001205724509 1091321464 /nfs/dbraw/zinc/32/14/64/1091321464.db2.gz SREQYGASOVQRFI-WJFTUGDTSA-N 2 2 313.445 3.070 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001138772387 1091323221 /nfs/dbraw/zinc/32/32/21/1091323221.db2.gz JIAALNHVTZDTIA-UHFFFAOYSA-N 2 2 314.404 3.282 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001138772387 1091323231 /nfs/dbraw/zinc/32/32/31/1091323231.db2.gz JIAALNHVTZDTIA-UHFFFAOYSA-N 2 2 314.404 3.282 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCC1(F)F ZINC001205769092 1091339137 /nfs/dbraw/zinc/33/91/37/1091339137.db2.gz HRJFMRJMRRGQSE-CYBMUJFWSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCC1(F)F ZINC001205769092 1091339148 /nfs/dbraw/zinc/33/91/48/1091339148.db2.gz HRJFMRJMRRGQSE-CYBMUJFWSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)[nH]c3ccccc32)CCC1(F)F ZINC001205771809 1091341231 /nfs/dbraw/zinc/34/12/31/1091341231.db2.gz WGDAAMIFGGMSNI-JTQLQIEISA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)[nH]c3ccccc32)CCC1(F)F ZINC001205771809 1091341241 /nfs/dbraw/zinc/34/12/41/1091341241.db2.gz WGDAAMIFGGMSNI-JTQLQIEISA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cncc(-c3ccccc3)c2)CCC1(F)F ZINC001205788955 1091349990 /nfs/dbraw/zinc/34/99/90/1091349990.db2.gz UGIKIGICDRJQQC-QGZVFWFLSA-N 2 2 317.383 3.165 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cncc(-c3ccccc3)c2)CCC1(F)F ZINC001205788955 1091350001 /nfs/dbraw/zinc/35/00/01/1091350001.db2.gz UGIKIGICDRJQQC-QGZVFWFLSA-N 2 2 317.383 3.165 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819038 1091364027 /nfs/dbraw/zinc/36/40/27/1091364027.db2.gz WJIVYTXLYKZPJG-SJLPKXTDSA-N 2 2 301.478 3.236 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819038 1091364039 /nfs/dbraw/zinc/36/40/39/1091364039.db2.gz WJIVYTXLYKZPJG-SJLPKXTDSA-N 2 2 301.478 3.236 20 0 DGADLP c1cn2c(cccc2C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)[nH+]1 ZINC001276484768 1091365468 /nfs/dbraw/zinc/36/54/68/1091365468.db2.gz UNOSHVCZWAUQCB-UHFFFAOYSA-N 3 2 324.472 3.175 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826945 1091368121 /nfs/dbraw/zinc/36/81/21/1091368121.db2.gz DSFUEWILZNGXJU-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826945 1091368127 /nfs/dbraw/zinc/36/81/27/1091368127.db2.gz DSFUEWILZNGXJU-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828391 1091369438 /nfs/dbraw/zinc/36/94/38/1091369438.db2.gz KWCOGIBBLSTFCA-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828391 1091369453 /nfs/dbraw/zinc/36/94/53/1091369453.db2.gz KWCOGIBBLSTFCA-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838189 1091373172 /nfs/dbraw/zinc/37/31/72/1091373172.db2.gz BEWYXEOOZRCKAX-DOMZBBRYSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838189 1091373188 /nfs/dbraw/zinc/37/31/88/1091373188.db2.gz BEWYXEOOZRCKAX-DOMZBBRYSA-N 2 2 303.837 3.447 20 0 DGADLP COc1ccc2sc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205842925 1091376468 /nfs/dbraw/zinc/37/64/68/1091376468.db2.gz PWQXTHPIYPXVEK-TZMCWYRMSA-N 2 2 304.459 3.469 20 0 DGADLP COc1ccc2sc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205842925 1091376472 /nfs/dbraw/zinc/37/64/72/1091376472.db2.gz PWQXTHPIYPXVEK-TZMCWYRMSA-N 2 2 304.459 3.469 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1C(F)(F)F ZINC001205913486 1091406627 /nfs/dbraw/zinc/40/66/27/1091406627.db2.gz IOLMYQDHYUFXOK-AAEUAGOBSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1C(F)(F)F ZINC001205913486 1091406629 /nfs/dbraw/zinc/40/66/29/1091406629.db2.gz IOLMYQDHYUFXOK-AAEUAGOBSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912859 1091407842 /nfs/dbraw/zinc/40/78/42/1091407842.db2.gz DFLYYJQDFVKPLB-NEPJUHHUSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912859 1091407849 /nfs/dbraw/zinc/40/78/49/1091407849.db2.gz DFLYYJQDFVKPLB-NEPJUHHUSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1C(F)(F)F ZINC001205913490 1091408002 /nfs/dbraw/zinc/40/80/02/1091408002.db2.gz IOLMYQDHYUFXOK-YPMHNXCESA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1C(F)(F)F ZINC001205913490 1091408003 /nfs/dbraw/zinc/40/80/03/1091408003.db2.gz IOLMYQDHYUFXOK-YPMHNXCESA-N 2 2 316.367 3.273 20 0 DGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205931997 1091420659 /nfs/dbraw/zinc/42/06/59/1091420659.db2.gz NCSFDJXPDSWDKO-LBPRGKRZSA-N 2 2 320.330 3.237 20 0 DGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205931997 1091420664 /nfs/dbraw/zinc/42/06/64/1091420664.db2.gz NCSFDJXPDSWDKO-LBPRGKRZSA-N 2 2 320.330 3.237 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206187458 1091527435 /nfs/dbraw/zinc/52/74/35/1091527435.db2.gz TUZNOOXWGMAUCP-VXGBXAGGSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206187458 1091527440 /nfs/dbraw/zinc/52/74/40/1091527440.db2.gz TUZNOOXWGMAUCP-VXGBXAGGSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197205 1091531022 /nfs/dbraw/zinc/53/10/22/1091531022.db2.gz GTJWWMWAKOFMDS-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197205 1091531026 /nfs/dbraw/zinc/53/10/26/1091531026.db2.gz GTJWWMWAKOFMDS-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206209640 1091535779 /nfs/dbraw/zinc/53/57/79/1091535779.db2.gz HLVIJMQTZRDFEW-ROUUACIJSA-N 2 2 313.420 3.318 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206209640 1091535782 /nfs/dbraw/zinc/53/57/82/1091535782.db2.gz HLVIJMQTZRDFEW-ROUUACIJSA-N 2 2 313.420 3.318 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@@H]1F ZINC001206211300 1091538770 /nfs/dbraw/zinc/53/87/70/1091538770.db2.gz NDVRCKAVONPKGI-DLBZAZTESA-N 2 2 317.383 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@@H]1F ZINC001206211300 1091538773 /nfs/dbraw/zinc/53/87/73/1091538773.db2.gz NDVRCKAVONPKGI-DLBZAZTESA-N 2 2 317.383 3.149 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001206258250 1091552806 /nfs/dbraw/zinc/55/28/06/1091552806.db2.gz UFBKSUJBKCMCAA-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC001206258250 1091552815 /nfs/dbraw/zinc/55/28/15/1091552815.db2.gz UFBKSUJBKCMCAA-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001206326138 1091581365 /nfs/dbraw/zinc/58/13/65/1091581365.db2.gz KOAIHBVXLPGFBI-OAHLLOKOSA-N 2 2 300.805 3.136 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001206326138 1091581370 /nfs/dbraw/zinc/58/13/70/1091581370.db2.gz KOAIHBVXLPGFBI-OAHLLOKOSA-N 2 2 300.805 3.136 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001206343455 1091585021 /nfs/dbraw/zinc/58/50/21/1091585021.db2.gz FQPXYYURYDPITP-CQSZACIVSA-N 2 2 320.330 3.238 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001206343455 1091585029 /nfs/dbraw/zinc/58/50/29/1091585029.db2.gz FQPXYYURYDPITP-CQSZACIVSA-N 2 2 320.330 3.238 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206372192 1091603767 /nfs/dbraw/zinc/60/37/67/1091603767.db2.gz XMEHLNDXRGBJCA-GOSISDBHSA-N 2 2 302.393 3.198 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001206372192 1091603770 /nfs/dbraw/zinc/60/37/70/1091603770.db2.gz XMEHLNDXRGBJCA-GOSISDBHSA-N 2 2 302.393 3.198 20 0 DGADLP CC(C)[NH+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C(C)C ZINC001139760801 1091665563 /nfs/dbraw/zinc/66/55/63/1091665563.db2.gz XPSSEJGORHMHTF-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP C[NH2+]Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1 ZINC001206733778 1091717085 /nfs/dbraw/zinc/71/70/85/1091717085.db2.gz AIZHTGSMZNEPDJ-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206767749 1091729633 /nfs/dbraw/zinc/72/96/33/1091729633.db2.gz DYGDCRJCIHVOCX-VXGBXAGGSA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206767749 1091729642 /nfs/dbraw/zinc/72/96/42/1091729642.db2.gz DYGDCRJCIHVOCX-VXGBXAGGSA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206767744 1091729822 /nfs/dbraw/zinc/72/98/22/1091729822.db2.gz DYGDCRJCIHVOCX-NEPJUHHUSA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206767744 1091729829 /nfs/dbraw/zinc/72/98/29/1091729829.db2.gz DYGDCRJCIHVOCX-NEPJUHHUSA-N 2 2 314.832 3.437 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc(OCC4CC4)c3)ccn12 ZINC001206764103 1091730322 /nfs/dbraw/zinc/73/03/22/1091730322.db2.gz SPCDOXRFHHXLFH-UHFFFAOYSA-N 2 2 319.408 3.477 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1C(F)(F)F ZINC001206769364 1091732348 /nfs/dbraw/zinc/73/23/48/1091732348.db2.gz ORYXEAYJQVFXKX-DGCLKSJQSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1C(F)(F)F ZINC001206769364 1091732356 /nfs/dbraw/zinc/73/23/56/1091732356.db2.gz ORYXEAYJQVFXKX-DGCLKSJQSA-N 2 2 316.367 3.273 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001140021446 1091740977 /nfs/dbraw/zinc/74/09/77/1091740977.db2.gz MDDVGCDRNUWDDA-IBGZPJMESA-N 2 2 313.445 3.165 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@](C)(CO)CC1 ZINC001140021446 1091740982 /nfs/dbraw/zinc/74/09/82/1091740982.db2.gz MDDVGCDRNUWDDA-IBGZPJMESA-N 2 2 313.445 3.165 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140021885 1091741337 /nfs/dbraw/zinc/74/13/37/1091741337.db2.gz SFVTUBRLTBEPFL-LJQANCHMSA-N 2 2 311.429 3.326 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140021885 1091741348 /nfs/dbraw/zinc/74/13/48/1091741348.db2.gz SFVTUBRLTBEPFL-LJQANCHMSA-N 2 2 311.429 3.326 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140023559 1091742385 /nfs/dbraw/zinc/74/23/85/1091742385.db2.gz QMBDNKBQRBTAFX-PKOBYXMFSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140023559 1091742393 /nfs/dbraw/zinc/74/23/93/1091742393.db2.gz QMBDNKBQRBTAFX-PKOBYXMFSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2ncc(C)cc2C1 ZINC001140027164 1091744872 /nfs/dbraw/zinc/74/48/72/1091744872.db2.gz AWYMEBCQZNBGNC-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2ncc(C)cc2C1 ZINC001140027164 1091744876 /nfs/dbraw/zinc/74/48/76/1091744876.db2.gz AWYMEBCQZNBGNC-UHFFFAOYSA-N 2 2 318.424 3.442 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027335 1091744944 /nfs/dbraw/zinc/74/49/44/1091744944.db2.gz IWFLAYZTMMSVQG-UHFFFAOYSA-N 3 2 314.477 3.344 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027335 1091744952 /nfs/dbraw/zinc/74/49/52/1091744952.db2.gz IWFLAYZTMMSVQG-UHFFFAOYSA-N 3 2 314.477 3.344 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccc(F)cc2)s1)C1CC[NH+](C)CC1 ZINC001140093081 1091765362 /nfs/dbraw/zinc/76/53/62/1091765362.db2.gz SYHAFMWUYFINKD-UHFFFAOYSA-N 2 2 319.449 3.475 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccc(F)cc2)s1)C1CC[NH+](C)CC1 ZINC001140093081 1091765371 /nfs/dbraw/zinc/76/53/71/1091765371.db2.gz SYHAFMWUYFINKD-UHFFFAOYSA-N 2 2 319.449 3.475 20 0 DGADLP Cc1ncsc1C[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001206863504 1091774601 /nfs/dbraw/zinc/77/46/01/1091774601.db2.gz RTHXPXNOXVGCIG-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001206863504 1091774609 /nfs/dbraw/zinc/77/46/09/1091774609.db2.gz RTHXPXNOXVGCIG-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001206863504 1091774615 /nfs/dbraw/zinc/77/46/15/1091774615.db2.gz RTHXPXNOXVGCIG-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001206863504 1091774622 /nfs/dbraw/zinc/77/46/22/1091774622.db2.gz RTHXPXNOXVGCIG-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccncc2)cc1 ZINC001140174287 1091792117 /nfs/dbraw/zinc/79/21/17/1091792117.db2.gz LZJVVNUBBKZZJF-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccncc2)cc1 ZINC001140174287 1091792123 /nfs/dbraw/zinc/79/21/23/1091792123.db2.gz LZJVVNUBBKZZJF-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccccn2)cc1 ZINC001140382012 1091845431 /nfs/dbraw/zinc/84/54/31/1091845431.db2.gz MZMMCXBJDFMYGB-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2ccccn2)cc1 ZINC001140382012 1091845437 /nfs/dbraw/zinc/84/54/37/1091845437.db2.gz MZMMCXBJDFMYGB-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207181421 1091879121 /nfs/dbraw/zinc/87/91/21/1091879121.db2.gz OXESSCOMSPJWRC-YOEHRIQHSA-N 2 2 301.821 3.464 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207181421 1091879126 /nfs/dbraw/zinc/87/91/26/1091879126.db2.gz OXESSCOMSPJWRC-YOEHRIQHSA-N 2 2 301.821 3.464 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001207284514 1091910072 /nfs/dbraw/zinc/91/00/72/1091910072.db2.gz OGECXDOCYUIRLE-UHFFFAOYSA-N 2 2 314.473 3.194 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(Cc2cc(OC)c(C)c[nH+]2)CC1 ZINC001550137201 1091929081 /nfs/dbraw/zinc/92/90/81/1091929081.db2.gz QWNHACBPMXNUSV-UHFFFAOYSA-N 2 2 317.477 3.239 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001207502942 1091995715 /nfs/dbraw/zinc/99/57/15/1091995715.db2.gz OWPZESCRNRCTJY-MRXNPFEDSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001207502942 1091995724 /nfs/dbraw/zinc/99/57/24/1091995724.db2.gz OWPZESCRNRCTJY-MRXNPFEDSA-N 2 2 300.377 3.225 20 0 DGADLP Fc1ccc(N2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140806375 1092011967 /nfs/dbraw/zinc/01/19/67/1092011967.db2.gz HOHXNJFIQXGVHI-UHFFFAOYSA-N 2 2 324.403 3.414 20 0 DGADLP Fc1ccc(N2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140806375 1092011977 /nfs/dbraw/zinc/01/19/77/1092011977.db2.gz HOHXNJFIQXGVHI-UHFFFAOYSA-N 2 2 324.403 3.414 20 0 DGADLP Cc1ncccc1CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207745449 1092087781 /nfs/dbraw/zinc/08/77/81/1092087781.db2.gz OBXKAWQMUFZCQS-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ncccc1CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207745449 1092087790 /nfs/dbraw/zinc/08/77/90/1092087790.db2.gz OBXKAWQMUFZCQS-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP CC[N@H+](Cc1cccc(-c2ncccn2)c1)C1CC[NH+](C)CC1 ZINC001140979304 1092091236 /nfs/dbraw/zinc/09/12/36/1092091236.db2.gz IYXMYEXPHJBGJP-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](Cc1cccc(-c2ncccn2)c1)C1CC[NH+](C)CC1 ZINC001140979304 1092091244 /nfs/dbraw/zinc/09/12/44/1092091244.db2.gz IYXMYEXPHJBGJP-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP c1cn2ccc(C[NH+]3CCC4(COc5ccccc54)CC3)cc2[nH+]1 ZINC001141049186 1092120292 /nfs/dbraw/zinc/12/02/92/1092120292.db2.gz ANHPQBWAVROHAD-UHFFFAOYSA-N 2 2 319.408 3.261 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207952174 1092155034 /nfs/dbraw/zinc/15/50/34/1092155034.db2.gz MSPHYTNSVHVIMD-GOSISDBHSA-N 2 2 320.477 3.096 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207952174 1092155037 /nfs/dbraw/zinc/15/50/37/1092155037.db2.gz MSPHYTNSVHVIMD-GOSISDBHSA-N 2 2 320.477 3.096 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001141224693 1092184605 /nfs/dbraw/zinc/18/46/05/1092184605.db2.gz IPODOHLPLUMCIP-SFTDATJTSA-N 2 2 321.468 3.208 20 0 DGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](CCCC4CCCC4)C[C@@H]3C2)c1 ZINC001208089064 1092192920 /nfs/dbraw/zinc/19/29/20/1092192920.db2.gz ZOSBGEBFRSCHKW-WOJBJXKFSA-N 2 2 313.489 3.416 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001208111981 1092200030 /nfs/dbraw/zinc/20/00/30/1092200030.db2.gz PXTHEUWAAAQJFD-QGZVFWFLSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001208111981 1092200035 /nfs/dbraw/zinc/20/00/35/1092200035.db2.gz PXTHEUWAAAQJFD-QGZVFWFLSA-N 2 2 322.880 3.445 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC001208202441 1092262768 /nfs/dbraw/zinc/26/27/68/1092262768.db2.gz WHNDWEHPRZRZSC-KRWDZBQOSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC001208202441 1092262776 /nfs/dbraw/zinc/26/27/76/1092262776.db2.gz WHNDWEHPRZRZSC-KRWDZBQOSA-N 2 2 300.377 3.225 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001141650641 1092310168 /nfs/dbraw/zinc/31/01/68/1092310168.db2.gz BDGCTABJUJLTGW-GOSISDBHSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001141650641 1092310180 /nfs/dbraw/zinc/31/01/80/1092310180.db2.gz BDGCTABJUJLTGW-GOSISDBHSA-N 2 2 323.371 3.422 20 0 DGADLP C[NH+]1CCN(c2ccc([NH2+]CCCCc3ccccn3)cc2)CC1 ZINC001168798385 1092368867 /nfs/dbraw/zinc/36/88/67/1092368867.db2.gz OIPALHZCAYWYPW-UHFFFAOYSA-N 2 2 324.472 3.268 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001141994329 1092381342 /nfs/dbraw/zinc/38/13/42/1092381342.db2.gz IHEYSEWKRMWJKE-UHFFFAOYSA-N 2 2 311.429 3.320 20 0 DGADLP Cc1[nH+]c2ccc(N(CC[NH3+])c3cccnc3)cc2n1C(C)C ZINC001168835748 1092391183 /nfs/dbraw/zinc/39/11/83/1092391183.db2.gz FKDQPKCHFIEFCT-UHFFFAOYSA-N 2 2 309.417 3.417 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613170 1092429379 /nfs/dbraw/zinc/42/93/79/1092429379.db2.gz QRBFWNFMEXQZGJ-WMLDXEAASA-N 2 2 308.466 3.257 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613170 1092429385 /nfs/dbraw/zinc/42/93/85/1092429385.db2.gz QRBFWNFMEXQZGJ-WMLDXEAASA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613170 1092429389 /nfs/dbraw/zinc/42/93/89/1092429389.db2.gz QRBFWNFMEXQZGJ-WMLDXEAASA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)C1 ZINC001208613170 1092429391 /nfs/dbraw/zinc/42/93/91/1092429391.db2.gz QRBFWNFMEXQZGJ-WMLDXEAASA-N 2 2 308.466 3.257 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001208689864 1092456954 /nfs/dbraw/zinc/45/69/54/1092456954.db2.gz ANLPLIPEGFBELP-UHFFFAOYSA-N 2 2 312.379 3.418 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001208689864 1092456962 /nfs/dbraw/zinc/45/69/62/1092456962.db2.gz ANLPLIPEGFBELP-UHFFFAOYSA-N 2 2 312.379 3.418 20 0 DGADLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@@H+](CCC1CCCC1)C2 ZINC001208693863 1092459575 /nfs/dbraw/zinc/45/95/75/1092459575.db2.gz OMNWZCXFNSCBII-UHFFFAOYSA-N 2 2 316.493 3.265 20 0 DGADLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@H+](CCC1CCCC1)C2 ZINC001208693863 1092459587 /nfs/dbraw/zinc/45/95/87/1092459587.db2.gz OMNWZCXFNSCBII-UHFFFAOYSA-N 2 2 316.493 3.265 20 0 DGADLP CSc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169138265 1092549837 /nfs/dbraw/zinc/54/98/37/1092549837.db2.gz OYDXHAOBSADWNS-BLLLJJGKSA-N 2 2 308.495 3.463 20 0 DGADLP c1cc2c(nccc2C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)[nH]1 ZINC001142871526 1092571696 /nfs/dbraw/zinc/57/16/96/1092571696.db2.gz MTPYVYHLBSTEIF-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162931 1092573161 /nfs/dbraw/zinc/57/31/61/1092573161.db2.gz VNIDAIHBGVWIJA-ACDBMABISA-N 3 2 319.537 3.341 20 0 DGADLP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162931 1092573170 /nfs/dbraw/zinc/57/31/70/1092573170.db2.gz VNIDAIHBGVWIJA-ACDBMABISA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162931 1092573178 /nfs/dbraw/zinc/57/31/78/1092573178.db2.gz VNIDAIHBGVWIJA-ACDBMABISA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162931 1092573184 /nfs/dbraw/zinc/57/31/84/1092573184.db2.gz VNIDAIHBGVWIJA-ACDBMABISA-N 3 2 319.537 3.341 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940043 1092603102 /nfs/dbraw/zinc/60/31/02/1092603102.db2.gz NXXWEYRQEGAWMP-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1COCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940043 1092603105 /nfs/dbraw/zinc/60/31/05/1092603105.db2.gz NXXWEYRQEGAWMP-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1COCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940043 1092603107 /nfs/dbraw/zinc/60/31/07/1092603107.db2.gz NXXWEYRQEGAWMP-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1COCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940043 1092603112 /nfs/dbraw/zinc/60/31/12/1092603112.db2.gz NXXWEYRQEGAWMP-RTBURBONSA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+]1CCC([NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001169265020 1092606876 /nfs/dbraw/zinc/60/68/76/1092606876.db2.gz KREJCDLFESFVPQ-UHFFFAOYSA-N 2 2 314.473 3.152 20 0 DGADLP CCC[NH+](CCC[NH+](C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208956252 1092610696 /nfs/dbraw/zinc/61/06/96/1092610696.db2.gz GQUYMTMVTOOAFG-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CCC[NH+](CCC[NH+](C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956252 1092610701 /nfs/dbraw/zinc/61/07/01/1092610701.db2.gz GQUYMTMVTOOAFG-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2n[nH]cc21 ZINC001143098550 1092614045 /nfs/dbraw/zinc/61/40/45/1092614045.db2.gz DVRHHIGECCYWFT-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2n[nH]cc21 ZINC001143098550 1092614048 /nfs/dbraw/zinc/61/40/48/1092614048.db2.gz DVRHHIGECCYWFT-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001169258929 1092620490 /nfs/dbraw/zinc/62/04/90/1092620490.db2.gz UTPDGRHFYSVZEB-QGZVFWFLSA-N 2 2 318.461 3.023 20 0 DGADLP CC[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001169258929 1092620498 /nfs/dbraw/zinc/62/04/98/1092620498.db2.gz UTPDGRHFYSVZEB-QGZVFWFLSA-N 2 2 318.461 3.023 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001209083269 1092645074 /nfs/dbraw/zinc/64/50/74/1092645074.db2.gz SILCVQKXXIBQFG-CZUORRHYSA-N 2 2 313.272 3.419 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001209083269 1092645077 /nfs/dbraw/zinc/64/50/77/1092645077.db2.gz SILCVQKXXIBQFG-CZUORRHYSA-N 2 2 313.272 3.419 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127496 1092665219 /nfs/dbraw/zinc/66/52/19/1092665219.db2.gz VVHBDGMBDJJYQH-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127496 1092665221 /nfs/dbraw/zinc/66/52/21/1092665221.db2.gz VVHBDGMBDJJYQH-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127496 1092665224 /nfs/dbraw/zinc/66/52/24/1092665224.db2.gz VVHBDGMBDJJYQH-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127496 1092665226 /nfs/dbraw/zinc/66/52/26/1092665226.db2.gz VVHBDGMBDJJYQH-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC001209148516 1092672247 /nfs/dbraw/zinc/67/22/47/1092672247.db2.gz CYVXRRSLKKAOMI-SFHVURJKSA-N 2 2 324.424 3.021 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC001209148516 1092672251 /nfs/dbraw/zinc/67/22/51/1092672251.db2.gz CYVXRRSLKKAOMI-SFHVURJKSA-N 2 2 324.424 3.021 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624408 1092697169 /nfs/dbraw/zinc/69/71/69/1092697169.db2.gz WZSYFMBPGMOTRH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624408 1092697171 /nfs/dbraw/zinc/69/71/71/1092697171.db2.gz WZSYFMBPGMOTRH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624408 1092697175 /nfs/dbraw/zinc/69/71/75/1092697175.db2.gz WZSYFMBPGMOTRH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624408 1092697178 /nfs/dbraw/zinc/69/71/78/1092697178.db2.gz WZSYFMBPGMOTRH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001206632157 1092723844 /nfs/dbraw/zinc/72/38/44/1092723844.db2.gz GMVMKBATGMADAC-JTQLQIEISA-N 2 2 321.774 3.315 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001206632157 1092723851 /nfs/dbraw/zinc/72/38/51/1092723851.db2.gz GMVMKBATGMADAC-JTQLQIEISA-N 2 2 321.774 3.315 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)c(O)c(OC)c2)CC1 ZINC001209532104 1092811195 /nfs/dbraw/zinc/81/11/95/1092811195.db2.gz BJTXKUBSFWXDSQ-UHFFFAOYSA-N 2 2 324.440 3.236 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(O)c(OC)c2)CC1 ZINC001209532104 1092811200 /nfs/dbraw/zinc/81/12/00/1092811200.db2.gz BJTXKUBSFWXDSQ-UHFFFAOYSA-N 2 2 324.440 3.236 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccc(Br)cc1)C2 ZINC001276664309 1092878210 /nfs/dbraw/zinc/87/82/10/1092878210.db2.gz RRBSVEQWLRYCJG-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccc(Br)cc1)C2 ZINC001276664309 1092878221 /nfs/dbraw/zinc/87/82/21/1092878221.db2.gz RRBSVEQWLRYCJG-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1ccc(Br)cc1)C2 ZINC001276664309 1092878231 /nfs/dbraw/zinc/87/82/31/1092878231.db2.gz RRBSVEQWLRYCJG-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccc(Br)cc1)C2 ZINC001276664309 1092878240 /nfs/dbraw/zinc/87/82/40/1092878240.db2.gz RRBSVEQWLRYCJG-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP Nc1cn(-c2ccc3[nH]c[nH+]c3c2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001209849429 1092948469 /nfs/dbraw/zinc/94/84/69/1092948469.db2.gz YYIKYYWRKQWWDK-UHFFFAOYSA-N 2 2 319.343 3.221 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676363 1093003850 /nfs/dbraw/zinc/00/38/50/1093003850.db2.gz BGUWEYVZSGEIAY-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676363 1093003863 /nfs/dbraw/zinc/00/38/63/1093003863.db2.gz BGUWEYVZSGEIAY-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676363 1093003870 /nfs/dbraw/zinc/00/38/70/1093003870.db2.gz BGUWEYVZSGEIAY-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676363 1093003877 /nfs/dbraw/zinc/00/38/77/1093003877.db2.gz BGUWEYVZSGEIAY-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCN(c2cccnc2Nc2ccc3c[nH+]ccc3c2)CC1 ZINC001210047183 1093026864 /nfs/dbraw/zinc/02/68/64/1093026864.db2.gz OYSMXQQSNZVFQH-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP C[NH+]1CCN(c2cccnc2Nc2cccc3cc[nH+]cc32)CC1 ZINC001210225894 1093085893 /nfs/dbraw/zinc/08/58/93/1093085893.db2.gz NTHHSFWQOJOXAA-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)c2c1 ZINC001210519645 1093195934 /nfs/dbraw/zinc/19/59/34/1093195934.db2.gz QNJBDVMYRRPSPL-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)c2c1 ZINC001210519645 1093195939 /nfs/dbraw/zinc/19/59/39/1093195939.db2.gz QNJBDVMYRRPSPL-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP Cc1cc(C)c(Nc2ccccc2CN2CC[NH+](C)CC2)c[nH+]1 ZINC001213513528 1093601793 /nfs/dbraw/zinc/60/17/93/1093601793.db2.gz SLJFFAXWHIJYAC-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP c1cc(Nc2c[nH+]cn2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001216552135 1094216812 /nfs/dbraw/zinc/21/68/12/1094216812.db2.gz JISDKUZEQWEWNX-UHFFFAOYSA-N 2 2 316.368 3.256 20 0 DGADLP C[NH+](C)C[C@H]([NH2+][C@H]1CCCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC001170800439 1094433910 /nfs/dbraw/zinc/43/39/10/1094433910.db2.gz BFFIDBCZDVCDCP-FRQUTVOGSA-N 2 2 320.521 3.292 20 0 DGADLP Nc1cc[nH+]c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001218344562 1094728797 /nfs/dbraw/zinc/72/87/97/1094728797.db2.gz ZIZNKKLGAHZAOT-BCDXTJNWSA-N 2 2 309.413 3.238 20 0 DGADLP Nc1cc[nH+]c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001218344562 1094728804 /nfs/dbraw/zinc/72/88/04/1094728804.db2.gz ZIZNKKLGAHZAOT-BCDXTJNWSA-N 2 2 309.413 3.238 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC4(C3)CC[N@@H+](C3CCCC3)C4)n2c1 ZINC001276790288 1094837531 /nfs/dbraw/zinc/83/75/31/1094837531.db2.gz OYSJFALINNGART-UHFFFAOYSA-N 2 2 324.472 3.093 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC4(C3)CC[N@H+](C3CCCC3)C4)n2c1 ZINC001276790288 1094837543 /nfs/dbraw/zinc/83/75/43/1094837543.db2.gz OYSJFALINNGART-UHFFFAOYSA-N 2 2 324.472 3.093 20 0 DGADLP CCc1cccc(CC)c1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218949378 1094912500 /nfs/dbraw/zinc/91/25/00/1094912500.db2.gz TWRFVJVZUXSPGO-QGZVFWFLSA-N 2 2 311.429 3.022 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001170917480 1094922972 /nfs/dbraw/zinc/92/29/72/1094922972.db2.gz RWNXMLFSWMXSSW-CQSZACIVSA-N 2 2 302.805 3.261 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000311080278 1094949308 /nfs/dbraw/zinc/94/93/08/1094949308.db2.gz WNLZFQZECJPXKC-LBPRGKRZSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000311080278 1094949311 /nfs/dbraw/zinc/94/93/11/1094949311.db2.gz WNLZFQZECJPXKC-LBPRGKRZSA-N 2 2 315.230 3.149 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246104488 1095033322 /nfs/dbraw/zinc/03/33/22/1095033322.db2.gz BBHVBXSWVPHVCF-WQAKAFBOSA-N 2 2 305.224 3.214 20 0 DGADLP C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCCC[NH2+]C1 ZINC000697086167 1095041915 /nfs/dbraw/zinc/04/19/15/1095041915.db2.gz JVDDBNWRZBATGN-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP C[N@H+](Cc1csc(Br)c1)C[C@H]1CCCC[NH2+]C1 ZINC000697086167 1095041931 /nfs/dbraw/zinc/04/19/31/1095041931.db2.gz JVDDBNWRZBATGN-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001170971115 1095054118 /nfs/dbraw/zinc/05/41/18/1095054118.db2.gz NZQMMTYSGKQCHO-HZPDHXFCSA-N 2 2 302.437 3.290 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001170971115 1095054133 /nfs/dbraw/zinc/05/41/33/1095054133.db2.gz NZQMMTYSGKQCHO-HZPDHXFCSA-N 2 2 302.437 3.290 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171012323 1095125830 /nfs/dbraw/zinc/12/58/30/1095125830.db2.gz OSNMPEBQSYDSCO-QGZVFWFLSA-N 2 2 304.453 3.488 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171012323 1095125838 /nfs/dbraw/zinc/12/58/38/1095125838.db2.gz OSNMPEBQSYDSCO-QGZVFWFLSA-N 2 2 304.453 3.488 20 0 DGADLP Clc1cccc2c1CC[C@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001171033969 1095167511 /nfs/dbraw/zinc/16/75/11/1095167511.db2.gz RYSSWQDJLZDSPY-AWEZNQCLSA-N 2 2 302.805 3.261 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)o2)CC[NH2+]1 ZINC001246324177 1095210704 /nfs/dbraw/zinc/21/07/04/1095210704.db2.gz FYYLBELZHPDGRJ-RYUDHWBXSA-N 2 2 315.255 3.443 20 0 DGADLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171065548 1095242250 /nfs/dbraw/zinc/24/22/50/1095242250.db2.gz XVTULVDTKGKDOB-GFCCVEGCSA-N 2 2 310.228 3.421 20 0 DGADLP COc1ncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1C ZINC001137004475 1095279232 /nfs/dbraw/zinc/27/92/32/1095279232.db2.gz AQRLSSLTRJGMJQ-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1C ZINC001137004475 1095279249 /nfs/dbraw/zinc/27/92/49/1095279249.db2.gz AQRLSSLTRJGMJQ-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171108272 1095389548 /nfs/dbraw/zinc/38/95/48/1095389548.db2.gz GJKVULWOEYSHGA-IRXDYDNUSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171108272 1095389561 /nfs/dbraw/zinc/38/95/61/1095389561.db2.gz GJKVULWOEYSHGA-IRXDYDNUSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1cc2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154112 1095460180 /nfs/dbraw/zinc/46/01/80/1095460180.db2.gz FQXHCCHOFWSIOQ-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cc2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154112 1095460195 /nfs/dbraw/zinc/46/01/95/1095460195.db2.gz FQXHCCHOFWSIOQ-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc2ccccn12 ZINC001222159950 1095466303 /nfs/dbraw/zinc/46/63/03/1095466303.db2.gz AMIRLAOZRNRWCI-IBGZPJMESA-N 2 2 312.461 3.080 20 0 DGADLP c1c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc2ccccn12 ZINC001222159950 1095466307 /nfs/dbraw/zinc/46/63/07/1095466307.db2.gz AMIRLAOZRNRWCI-IBGZPJMESA-N 2 2 312.461 3.080 20 0 DGADLP Oc1cnc(Cl)cc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167513 1095474150 /nfs/dbraw/zinc/47/41/50/1095474150.db2.gz MWOXMZVUCADVJT-QGZVFWFLSA-N 2 2 323.868 3.186 20 0 DGADLP Oc1cnc(Cl)cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167513 1095474155 /nfs/dbraw/zinc/47/41/55/1095474155.db2.gz MWOXMZVUCADVJT-QGZVFWFLSA-N 2 2 323.868 3.186 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC001171134823 1095498429 /nfs/dbraw/zinc/49/84/29/1095498429.db2.gz ZZBHMXIYDXQCRB-CYBMUJFWSA-N 2 2 310.228 3.337 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222248596 1095511736 /nfs/dbraw/zinc/51/17/36/1095511736.db2.gz LJDCSMCPVWSJHU-IBGZPJMESA-N 2 2 311.429 3.368 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222248596 1095511744 /nfs/dbraw/zinc/51/17/44/1095511744.db2.gz LJDCSMCPVWSJHU-IBGZPJMESA-N 2 2 311.429 3.368 20 0 DGADLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272417 1095522703 /nfs/dbraw/zinc/52/27/03/1095522703.db2.gz TYWWOANIDMVSMY-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222272417 1095522711 /nfs/dbraw/zinc/52/27/11/1095522711.db2.gz TYWWOANIDMVSMY-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CSc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cn1 ZINC001222271098 1095523914 /nfs/dbraw/zinc/52/39/14/1095523914.db2.gz CKDGVRAAIMQHKG-KRWDZBQOSA-N 2 2 305.491 3.078 20 0 DGADLP CSc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cn1 ZINC001222271098 1095523926 /nfs/dbraw/zinc/52/39/26/1095523926.db2.gz CKDGVRAAIMQHKG-KRWDZBQOSA-N 2 2 305.491 3.078 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282793 1095527277 /nfs/dbraw/zinc/52/72/77/1095527277.db2.gz NUVCEEICWPQCAW-HXUWFJFHSA-N 2 2 309.457 3.234 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282793 1095527291 /nfs/dbraw/zinc/52/72/91/1095527291.db2.gz NUVCEEICWPQCAW-HXUWFJFHSA-N 2 2 309.457 3.234 20 0 DGADLP COc1c(F)c(C)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001222315712 1095544872 /nfs/dbraw/zinc/54/48/72/1095544872.db2.gz JEEMIJMOVMIBIB-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1c(F)c(C)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001222315712 1095544879 /nfs/dbraw/zinc/54/48/79/1095544879.db2.gz JEEMIJMOVMIBIB-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314492 1095545118 /nfs/dbraw/zinc/54/51/18/1095545118.db2.gz GUNRBHAMYUXODQ-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314492 1095545126 /nfs/dbraw/zinc/54/51/26/1095545126.db2.gz GUNRBHAMYUXODQ-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP COc1ccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390591 1095587033 /nfs/dbraw/zinc/58/70/33/1095587033.db2.gz RSJJFMZUDUGMTO-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP COc1ccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390591 1095587038 /nfs/dbraw/zinc/58/70/38/1095587038.db2.gz RSJJFMZUDUGMTO-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP CCC(CC)C[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160535165 1095591033 /nfs/dbraw/zinc/59/10/33/1095591033.db2.gz WNJXNMHFQSUUHQ-KRWDZBQOSA-N 2 2 322.497 3.002 20 0 DGADLP CCc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001144321592 1095604005 /nfs/dbraw/zinc/60/40/05/1095604005.db2.gz RQCXLPVTRKGKOT-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001144321592 1095604012 /nfs/dbraw/zinc/60/40/12/1095604012.db2.gz RQCXLPVTRKGKOT-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001144321592 1095604015 /nfs/dbraw/zinc/60/40/15/1095604015.db2.gz RQCXLPVTRKGKOT-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001144321592 1095604021 /nfs/dbraw/zinc/60/40/21/1095604021.db2.gz RQCXLPVTRKGKOT-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP Brc1ccc(CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420555 1095605858 /nfs/dbraw/zinc/60/58/58/1095605858.db2.gz FAXLXMYFWIFXDI-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420555 1095605865 /nfs/dbraw/zinc/60/58/65/1095605865.db2.gz FAXLXMYFWIFXDI-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2c1 ZINC001222620435 1095696112 /nfs/dbraw/zinc/69/61/12/1095696112.db2.gz RXQDNUIAEMNZDL-SUMWQHHRSA-N 2 2 315.848 3.380 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cc2c1 ZINC001222620435 1095696115 /nfs/dbraw/zinc/69/61/15/1095696115.db2.gz RXQDNUIAEMNZDL-SUMWQHHRSA-N 2 2 315.848 3.380 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(NCC(C)(C)[NH3+])ccc21 ZINC001171197534 1095701653 /nfs/dbraw/zinc/70/16/53/1095701653.db2.gz KBURAVYTECFXRU-UHFFFAOYSA-N 2 2 310.401 3.183 20 0 DGADLP C[NH+]1CCC(C2CC[NH+](Cc3c(F)cc(O)cc3F)CC2)CC1 ZINC001144554654 1095710132 /nfs/dbraw/zinc/71/01/32/1095710132.db2.gz DETWOXSCDRVBRM-UHFFFAOYSA-N 2 2 324.415 3.224 20 0 DGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(F)cc(O)cc2F)CC1 ZINC001144554710 1095710828 /nfs/dbraw/zinc/71/08/28/1095710828.db2.gz DSFGXSMAQYCVFP-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(F)cc(O)cc2F)CC1 ZINC001144554710 1095710840 /nfs/dbraw/zinc/71/08/40/1095710840.db2.gz DSFGXSMAQYCVFP-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CC(C)[N@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC001137761310 1095734879 /nfs/dbraw/zinc/73/48/79/1095734879.db2.gz GFDRFHWQTXOGDY-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC001137761310 1095734891 /nfs/dbraw/zinc/73/48/91/1095734891.db2.gz GFDRFHWQTXOGDY-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@H]1CN(Cc2[nH+]cn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC001144625425 1095736840 /nfs/dbraw/zinc/73/68/40/1095736840.db2.gz MCFJKUYJAGUHAQ-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1CN(Cc2[nH+]cn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC001144625425 1095736851 /nfs/dbraw/zinc/73/68/51/1095736851.db2.gz MCFJKUYJAGUHAQ-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3c(C)cccc3C)CC2)nc(C)[nH+]1 ZINC001137851811 1095765206 /nfs/dbraw/zinc/76/52/06/1095765206.db2.gz XFBYZZOOOGQVNC-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(C)c(F)c3F)CC2)cc[nH+]1 ZINC001137971272 1095810103 /nfs/dbraw/zinc/81/01/03/1095810103.db2.gz MOGNOMSNCMRCTA-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3F)C[C@@H]2C1 ZINC001138008277 1095830353 /nfs/dbraw/zinc/83/03/53/1095830353.db2.gz NRQXPZXIFVVGHG-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3F)C[C@@H]2C1 ZINC001138008277 1095830374 /nfs/dbraw/zinc/83/03/74/1095830374.db2.gz NRQXPZXIFVVGHG-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3F)C[C@@H]2C1 ZINC001138008277 1095830398 /nfs/dbraw/zinc/83/03/98/1095830398.db2.gz NRQXPZXIFVVGHG-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3F)C[C@@H]2C1 ZINC001138008277 1095830412 /nfs/dbraw/zinc/83/04/12/1095830412.db2.gz NRQXPZXIFVVGHG-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP CC[N@H+](Cc1ccc(N2CCCCC2)o1)C1CC[NH+](C)CC1 ZINC001138175922 1095913906 /nfs/dbraw/zinc/91/39/06/1095913906.db2.gz LZMFQZLWNNHBAQ-UHFFFAOYSA-N 2 2 305.466 3.186 20 0 DGADLP CC[N@@H+](Cc1ccc(N2CCCCC2)o1)C1CC[NH+](C)CC1 ZINC001138175922 1095913921 /nfs/dbraw/zinc/91/39/21/1095913921.db2.gz LZMFQZLWNNHBAQ-UHFFFAOYSA-N 2 2 305.466 3.186 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001340513661 1095967015 /nfs/dbraw/zinc/96/70/15/1095967015.db2.gz HLONEGDWSMHXIH-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001340513661 1095967032 /nfs/dbraw/zinc/96/70/32/1095967032.db2.gz HLONEGDWSMHXIH-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429261 1096009984 /nfs/dbraw/zinc/00/99/84/1096009984.db2.gz CBCGYKPHZFQHMD-AKBUMOGYSA-N 2 2 321.415 3.069 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429261 1096009994 /nfs/dbraw/zinc/00/99/94/1096009994.db2.gz CBCGYKPHZFQHMD-AKBUMOGYSA-N 2 2 321.415 3.069 20 0 DGADLP Cc1cc(NCc2ccccc2N2CC[NH2+]CC2)ccc1[NH+](C)C ZINC001171283738 1096093372 /nfs/dbraw/zinc/09/33/72/1096093372.db2.gz KEMFLSQMOAUMFD-UHFFFAOYSA-N 2 2 324.472 3.083 20 0 DGADLP c1ccc(N2CCCC2)c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001118884441 1096098770 /nfs/dbraw/zinc/09/87/70/1096098770.db2.gz YDDMKLYWWCAJFF-LJQANCHMSA-N 2 2 313.489 3.393 20 0 DGADLP c1ccc(N2CCCC2)c(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001118884441 1096098781 /nfs/dbraw/zinc/09/87/81/1096098781.db2.gz YDDMKLYWWCAJFF-LJQANCHMSA-N 2 2 313.489 3.393 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC001171289704 1096124804 /nfs/dbraw/zinc/12/48/04/1096124804.db2.gz SGMNPHVCCXDNNP-UONOGXRCSA-N 2 2 322.880 3.278 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001171289704 1096124808 /nfs/dbraw/zinc/12/48/08/1096124808.db2.gz SGMNPHVCCXDNNP-UONOGXRCSA-N 2 2 322.880 3.278 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(F)c1C ZINC001146987617 1096143901 /nfs/dbraw/zinc/14/39/01/1096143901.db2.gz ZVUUZNBZOBDRLI-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171411016 1096697776 /nfs/dbraw/zinc/69/77/76/1096697776.db2.gz ZOKRAMUDCGQVJO-IRXDYDNUSA-N 2 2 322.497 3.145 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488802 1096896023 /nfs/dbraw/zinc/89/60/23/1096896023.db2.gz PCQBBEPGMAHIAP-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488802 1096896032 /nfs/dbraw/zinc/89/60/32/1096896032.db2.gz PCQBBEPGMAHIAP-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526883 1096918532 /nfs/dbraw/zinc/91/85/32/1096918532.db2.gz KONSWRTZKIVRTB-AWEZNQCLSA-N 2 2 316.449 3.241 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001171727708 1096955159 /nfs/dbraw/zinc/95/51/59/1096955159.db2.gz GBWLGMJNUZLBJT-GTAWCEEGSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068960 1097045197 /nfs/dbraw/zinc/04/51/97/1097045197.db2.gz MJVCNSWBOQYVEA-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068960 1097045204 /nfs/dbraw/zinc/04/52/04/1097045204.db2.gz MJVCNSWBOQYVEA-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172068960 1097045209 /nfs/dbraw/zinc/04/52/09/1097045209.db2.gz MJVCNSWBOQYVEA-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172068960 1097045215 /nfs/dbraw/zinc/04/52/15/1097045215.db2.gz MJVCNSWBOQYVEA-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124349 1097066115 /nfs/dbraw/zinc/06/61/15/1097066115.db2.gz KTKCLEYUNLDZKL-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124349 1097066118 /nfs/dbraw/zinc/06/61/18/1097066118.db2.gz KTKCLEYUNLDZKL-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124349 1097066124 /nfs/dbraw/zinc/06/61/24/1097066124.db2.gz KTKCLEYUNLDZKL-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001172124349 1097066130 /nfs/dbraw/zinc/06/61/30/1097066130.db2.gz KTKCLEYUNLDZKL-YDZRNGNQSA-N 2 2 300.446 3.075 20 0 DGADLP CC[C@H](C)OCC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172344319 1097119266 /nfs/dbraw/zinc/11/92/66/1097119266.db2.gz ANAKPBWFWODATR-HOTGVXAUSA-N 2 2 305.466 3.234 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001172361512 1097125934 /nfs/dbraw/zinc/12/59/34/1097125934.db2.gz YASVVIYSNPRCOL-FUHIMQAGSA-N 2 2 316.489 3.433 20 0 DGADLP CC[C@H](CC(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172384254 1097141105 /nfs/dbraw/zinc/14/11/05/1097141105.db2.gz GDDFHFRCQZLATK-LJQANCHMSA-N 2 2 304.478 3.433 20 0 DGADLP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172441485 1097155426 /nfs/dbraw/zinc/15/54/26/1097155426.db2.gz ODDZBCYDXLPSAU-MRXNPFEDSA-N 2 2 320.477 3.150 20 0 DGADLP COCC[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172560871 1097180151 /nfs/dbraw/zinc/18/01/51/1097180151.db2.gz MTDYAMABCXXQJQ-UYAOXDASSA-N 2 2 316.489 3.365 20 0 DGADLP COCC[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172560871 1097180153 /nfs/dbraw/zinc/18/01/53/1097180153.db2.gz MTDYAMABCXXQJQ-UYAOXDASSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCn1cc[nH+]c1 ZINC001172564104 1097181105 /nfs/dbraw/zinc/18/11/05/1097181105.db2.gz BRTNCKIZRLBSOS-NSHDSACASA-N 2 2 313.779 3.426 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173189 1097210797 /nfs/dbraw/zinc/21/07/97/1097210797.db2.gz FXRPKILCZGQPKD-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173189 1097210801 /nfs/dbraw/zinc/21/08/01/1097210801.db2.gz FXRPKILCZGQPKD-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173187 1097211050 /nfs/dbraw/zinc/21/10/50/1097211050.db2.gz FXRPKILCZGQPKD-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173187 1097211053 /nfs/dbraw/zinc/21/10/53/1097211053.db2.gz FXRPKILCZGQPKD-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2)CC1 ZINC001172753300 1097229748 /nfs/dbraw/zinc/22/97/48/1097229748.db2.gz RBRCLDSOSDIOHM-INIZCTEOSA-N 2 2 318.461 3.057 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172860169 1097265420 /nfs/dbraw/zinc/26/54/20/1097265420.db2.gz YARPTRFCPLATHG-LRDDRELGSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172860169 1097265427 /nfs/dbraw/zinc/26/54/27/1097265427.db2.gz YARPTRFCPLATHG-LRDDRELGSA-N 2 2 310.844 3.484 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001173108871 1097331948 /nfs/dbraw/zinc/33/19/48/1097331948.db2.gz SOQHOKFQWFKRRL-UHFFFAOYSA-N 3 2 300.450 3.077 20 0 DGADLP CC[NH+](CC)C1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001173113531 1097332487 /nfs/dbraw/zinc/33/24/87/1097332487.db2.gz SHTPGIKLXSDDJR-UHFFFAOYSA-N 3 2 304.482 3.173 20 0 DGADLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001173292846 1097398869 /nfs/dbraw/zinc/39/88/69/1097398869.db2.gz RNUWCEFSBGWZCS-OAHLLOKOSA-N 2 2 322.518 3.391 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173476091 1097444826 /nfs/dbraw/zinc/44/48/26/1097444826.db2.gz ORTFYFYHHBEZTF-AWEZNQCLSA-N 2 2 308.416 3.142 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173476091 1097444828 /nfs/dbraw/zinc/44/48/28/1097444828.db2.gz ORTFYFYHHBEZTF-AWEZNQCLSA-N 2 2 308.416 3.142 20 0 DGADLP COC(=O)CCCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001173447248 1097449663 /nfs/dbraw/zinc/44/96/63/1097449663.db2.gz CGUPWMXIGQDELH-HNNXBMFYSA-N 2 2 320.433 3.047 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)ccc2c1 ZINC001231445457 1097751758 /nfs/dbraw/zinc/75/17/58/1097751758.db2.gz XMRCXXXJATVVPU-CTNGQTDRSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)ccc2c1 ZINC001231445457 1097751761 /nfs/dbraw/zinc/75/17/61/1097751761.db2.gz XMRCXXXJATVVPU-CTNGQTDRSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)ccc2c1 ZINC001231445457 1097751763 /nfs/dbraw/zinc/75/17/63/1097751763.db2.gz XMRCXXXJATVVPU-CTNGQTDRSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)ccc2c1 ZINC001231445457 1097751766 /nfs/dbraw/zinc/75/17/66/1097751766.db2.gz XMRCXXXJATVVPU-CTNGQTDRSA-N 2 2 323.484 3.432 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(F)c(C)c3F)CC2)cc[nH+]1 ZINC001231478217 1097757434 /nfs/dbraw/zinc/75/74/34/1097757434.db2.gz GAISQQVCAJXJOW-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP CSc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC001174812804 1097860768 /nfs/dbraw/zinc/86/07/68/1097860768.db2.gz AJJSLAYMAZRRAM-UHFFFAOYSA-N 2 2 314.458 3.299 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3[nH+]cccc3C3CC3)cc2)CC1 ZINC001174813449 1097861232 /nfs/dbraw/zinc/86/12/32/1097861232.db2.gz KNRRFVGCLCVDCZ-UHFFFAOYSA-N 2 2 308.429 3.454 20 0 DGADLP CC(C)[N@H+](Cc1ncccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001231966707 1097902091 /nfs/dbraw/zinc/90/20/91/1097902091.db2.gz YOKHZPUOUXANLM-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1ncccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001231966707 1097902094 /nfs/dbraw/zinc/90/20/94/1097902094.db2.gz YOKHZPUOUXANLM-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979024 1097906922 /nfs/dbraw/zinc/90/69/22/1097906922.db2.gz OPAQINCFMDXNTQ-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979024 1097906926 /nfs/dbraw/zinc/90/69/26/1097906926.db2.gz OPAQINCFMDXNTQ-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979024 1097906928 /nfs/dbraw/zinc/90/69/28/1097906928.db2.gz OPAQINCFMDXNTQ-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979024 1097906932 /nfs/dbraw/zinc/90/69/32/1097906932.db2.gz OPAQINCFMDXNTQ-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP Cc1cc(F)ncc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001231983822 1097907785 /nfs/dbraw/zinc/90/77/85/1097907785.db2.gz FMBNPEIJUWUQJV-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001231983822 1097907788 /nfs/dbraw/zinc/90/77/88/1097907788.db2.gz FMBNPEIJUWUQJV-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001231983822 1097907790 /nfs/dbraw/zinc/90/77/90/1097907790.db2.gz FMBNPEIJUWUQJV-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001231983822 1097907795 /nfs/dbraw/zinc/90/77/95/1097907795.db2.gz FMBNPEIJUWUQJV-DLBZAZTESA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001231986274 1097908755 /nfs/dbraw/zinc/90/87/55/1097908755.db2.gz IXZVFLYNKMPMLU-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(F)ncc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001231986274 1097908758 /nfs/dbraw/zinc/90/87/58/1097908758.db2.gz IXZVFLYNKMPMLU-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(OCC)c(C)c2)CC1 ZINC001232312810 1098001428 /nfs/dbraw/zinc/00/14/28/1098001428.db2.gz ZIYKMDOMBHHSKE-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(OCC)c(C)c2)CC1 ZINC001232312810 1098001435 /nfs/dbraw/zinc/00/14/35/1098001435.db2.gz ZIYKMDOMBHHSKE-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP CN(C)c1ccc(Nc2ccc(OCCC[NH+](C)C)cc2)c[nH+]1 ZINC001175343082 1098001865 /nfs/dbraw/zinc/00/18/65/1098001865.db2.gz WJENWGMOBHFQCP-UHFFFAOYSA-N 2 2 314.433 3.222 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC001232335871 1098006545 /nfs/dbraw/zinc/00/65/45/1098006545.db2.gz BGQNPXOXGGOXRT-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC001232335871 1098006546 /nfs/dbraw/zinc/00/65/46/1098006546.db2.gz BGQNPXOXGGOXRT-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)OC(C)(C)c2ccccc23)c[nH+]1 ZINC001232464179 1098046593 /nfs/dbraw/zinc/04/65/93/1098046593.db2.gz URNCKNCZRQBCBT-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP C[NH+]1CCC(C2CC[NH+](Cc3ccc(F)c(O)c3F)CC2)CC1 ZINC001232934754 1098175804 /nfs/dbraw/zinc/17/58/04/1098175804.db2.gz JMZKDDZJTMFQNG-UHFFFAOYSA-N 2 2 324.415 3.224 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233128101 1098232869 /nfs/dbraw/zinc/23/28/69/1098232869.db2.gz GYOPJRDRJNUQQI-UHFFFAOYSA-N 2 2 318.440 3.398 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233128101 1098232875 /nfs/dbraw/zinc/23/28/75/1098232875.db2.gz GYOPJRDRJNUQQI-UHFFFAOYSA-N 2 2 318.440 3.398 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233321064 1098286331 /nfs/dbraw/zinc/28/63/31/1098286331.db2.gz YWSAKQLXUPJDPZ-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3ccsc3Br)C2)CC1 ZINC001233482042 1098345327 /nfs/dbraw/zinc/34/53/27/1098345327.db2.gz VKNCQNQHJUQRCT-UHFFFAOYSA-N 2 2 315.280 3.038 20 0 DGADLP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233755821 1098423195 /nfs/dbraw/zinc/42/31/95/1098423195.db2.gz URYPERKNPKGQGR-HOTGVXAUSA-N 2 2 322.412 3.334 20 0 DGADLP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233755815 1098423346 /nfs/dbraw/zinc/42/33/46/1098423346.db2.gz URYPERKNPKGQGR-CVEARBPZSA-N 2 2 322.412 3.334 20 0 DGADLP CC[C@H](C)[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807136 1098429946 /nfs/dbraw/zinc/42/99/46/1098429946.db2.gz KUJWGPYHIFMCOB-LPHOPBHVSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807136 1098429948 /nfs/dbraw/zinc/42/99/48/1098429948.db2.gz KUJWGPYHIFMCOB-LPHOPBHVSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@H](C)[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807136 1098429949 /nfs/dbraw/zinc/42/99/49/1098429949.db2.gz KUJWGPYHIFMCOB-LPHOPBHVSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@H](C)[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807136 1098429951 /nfs/dbraw/zinc/42/99/51/1098429951.db2.gz KUJWGPYHIFMCOB-LPHOPBHVSA-N 2 2 317.477 3.264 20 0 DGADLP COc1cc(C[NH+]2CCC(F)(F)CC2)ccc1-n1cc[nH+]c1 ZINC001234032624 1098481077 /nfs/dbraw/zinc/48/10/77/1098481077.db2.gz KQWXZKQFWUAETF-UHFFFAOYSA-N 2 2 307.344 3.112 20 0 DGADLP CC[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001177222761 1098497100 /nfs/dbraw/zinc/49/71/00/1098497100.db2.gz OMDLWAFLMQQXMS-HKUYNNGSSA-N 2 2 313.445 3.226 20 0 DGADLP c1cn(CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)c[nH+]1 ZINC001177446547 1098539001 /nfs/dbraw/zinc/53/90/01/1098539001.db2.gz SIJKRGGPYFCWCB-UHFFFAOYSA-N 2 2 323.400 3.035 20 0 DGADLP C[C@H](CCc1cccn1C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177855612 1098632569 /nfs/dbraw/zinc/63/25/69/1098632569.db2.gz ZZAUDXJUMIUQOS-MRXNPFEDSA-N 2 2 308.429 3.322 20 0 DGADLP Brc1cccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234995715 1098739527 /nfs/dbraw/zinc/73/95/27/1098739527.db2.gz YXIDEZOGGXHXSM-INIZCTEOSA-N 2 2 323.278 3.067 20 0 DGADLP Brc1cccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234995715 1098739530 /nfs/dbraw/zinc/73/95/30/1098739530.db2.gz YXIDEZOGGXHXSM-INIZCTEOSA-N 2 2 323.278 3.067 20 0 DGADLP c1csc(-c2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC001235000138 1098743505 /nfs/dbraw/zinc/74/35/05/1098743505.db2.gz OOBVMCZYJWKIFI-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP c1csc(-c2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC001235000138 1098743513 /nfs/dbraw/zinc/74/35/13/1098743513.db2.gz OOBVMCZYJWKIFI-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC4CC3(C[NH3+])C4)cc2)cc1 ZINC001235004293 1098744719 /nfs/dbraw/zinc/74/47/19/1098744719.db2.gz AACPGZIGHYIMLS-UHFFFAOYSA-N 2 2 321.468 3.343 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@H+]3CC4CC3(C[NH3+])C4)cc2)cc1 ZINC001235004293 1098744736 /nfs/dbraw/zinc/74/47/36/1098744736.db2.gz AACPGZIGHYIMLS-UHFFFAOYSA-N 2 2 321.468 3.343 20 0 DGADLP Clc1cccc2c(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccnc12 ZINC001235002969 1098745113 /nfs/dbraw/zinc/74/51/13/1098745113.db2.gz YTLWNKONULORBM-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cccc2c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccnc12 ZINC001235002969 1098745123 /nfs/dbraw/zinc/74/51/23/1098745123.db2.gz YTLWNKONULORBM-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cccc2c(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccnc12 ZINC001235002973 1098745785 /nfs/dbraw/zinc/74/57/85/1098745785.db2.gz YTLWNKONULORBM-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cccc2c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccnc12 ZINC001235002973 1098745794 /nfs/dbraw/zinc/74/57/94/1098745794.db2.gz YTLWNKONULORBM-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017110 1098753211 /nfs/dbraw/zinc/75/32/11/1098753211.db2.gz LKXWHYQOBWFPMD-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017110 1098753221 /nfs/dbraw/zinc/75/32/21/1098753221.db2.gz LKXWHYQOBWFPMD-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023501 1098755268 /nfs/dbraw/zinc/75/52/68/1098755268.db2.gz BZRIVUVUHDWALW-UHFFFAOYSA-N 2 2 308.425 3.158 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023501 1098755274 /nfs/dbraw/zinc/75/52/74/1098755274.db2.gz BZRIVUVUHDWALW-UHFFFAOYSA-N 2 2 308.425 3.158 20 0 DGADLP c1cc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc(OCC2CCCCC2)c1 ZINC001235027182 1098757688 /nfs/dbraw/zinc/75/76/88/1098757688.db2.gz WFLQURCCGYGWQB-UHFFFAOYSA-N 2 2 314.473 3.441 20 0 DGADLP c1cc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc(OCC2CCCCC2)c1 ZINC001235027182 1098757698 /nfs/dbraw/zinc/75/76/98/1098757698.db2.gz WFLQURCCGYGWQB-UHFFFAOYSA-N 2 2 314.473 3.441 20 0 DGADLP Brc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235028573 1098758817 /nfs/dbraw/zinc/75/88/17/1098758817.db2.gz UKAAVSAIIQJKPC-BETUJISGSA-N 2 2 318.218 3.087 20 0 DGADLP Brc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001235028573 1098758829 /nfs/dbraw/zinc/75/88/29/1098758829.db2.gz UKAAVSAIIQJKPC-BETUJISGSA-N 2 2 318.218 3.087 20 0 DGADLP Fc1ccc(Oc2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235033541 1098761736 /nfs/dbraw/zinc/76/17/36/1098761736.db2.gz YDBZSLJUJRXRGP-HNAYVOBHSA-N 2 2 312.388 3.412 20 0 DGADLP Fc1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235033541 1098761745 /nfs/dbraw/zinc/76/17/45/1098761745.db2.gz YDBZSLJUJRXRGP-HNAYVOBHSA-N 2 2 312.388 3.412 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC001235109106 1098808250 /nfs/dbraw/zinc/80/82/50/1098808250.db2.gz FRASWTGQIXEYFI-HXUWFJFHSA-N 2 2 309.457 3.234 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC001235109106 1098808263 /nfs/dbraw/zinc/80/82/63/1098808263.db2.gz FRASWTGQIXEYFI-HXUWFJFHSA-N 2 2 309.457 3.234 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)nc1 ZINC001235122381 1098824224 /nfs/dbraw/zinc/82/42/24/1098824224.db2.gz SSQXQHRQJRLLBL-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)nc1 ZINC001235122381 1098824237 /nfs/dbraw/zinc/82/42/37/1098824237.db2.gz SSQXQHRQJRLLBL-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1Br ZINC001235141659 1098833028 /nfs/dbraw/zinc/83/30/28/1098833028.db2.gz VHJSNRQXQFMLJS-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1Br ZINC001235141659 1098833037 /nfs/dbraw/zinc/83/30/37/1098833037.db2.gz VHJSNRQXQFMLJS-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235172839 1098854549 /nfs/dbraw/zinc/85/45/49/1098854549.db2.gz CAOBJTUSFWYOST-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1cc2cc[nH]c2c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235172839 1098854560 /nfs/dbraw/zinc/85/45/60/1098854560.db2.gz CAOBJTUSFWYOST-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1Br ZINC001235186058 1098863859 /nfs/dbraw/zinc/86/38/59/1098863859.db2.gz ZZDZPSIGKPVOBK-CABCVRRESA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1Br ZINC001235186058 1098863866 /nfs/dbraw/zinc/86/38/66/1098863866.db2.gz ZZDZPSIGKPVOBK-CABCVRRESA-N 2 2 323.278 3.107 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235194426 1098869963 /nfs/dbraw/zinc/86/99/63/1098869963.db2.gz VQJBCFUTEPQNKH-ZYHUDNBSSA-N 2 2 318.770 3.400 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235194426 1098869976 /nfs/dbraw/zinc/86/99/76/1098869976.db2.gz VQJBCFUTEPQNKH-ZYHUDNBSSA-N 2 2 318.770 3.400 20 0 DGADLP O=c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C2CCCC2)C3)[nH]1 ZINC001277930758 1098877228 /nfs/dbraw/zinc/87/72/28/1098877228.db2.gz TXHHLUVMCJLWKZ-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C2CCCC2)C3)[nH]1 ZINC001277930758 1098877242 /nfs/dbraw/zinc/87/72/42/1098877242.db2.gz TXHHLUVMCJLWKZ-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C2CCCC2)C3)[nH]1 ZINC001277930758 1098877253 /nfs/dbraw/zinc/87/72/53/1098877253.db2.gz TXHHLUVMCJLWKZ-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C2CCCC2)C3)[nH]1 ZINC001277930758 1098877270 /nfs/dbraw/zinc/87/72/70/1098877270.db2.gz TXHHLUVMCJLWKZ-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206335283 1098878274 /nfs/dbraw/zinc/87/82/74/1098878274.db2.gz DPLFFNWVNRIXEW-RDJZCZTQSA-N 2 2 302.478 3.107 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206335283 1098878279 /nfs/dbraw/zinc/87/82/79/1098878279.db2.gz DPLFFNWVNRIXEW-RDJZCZTQSA-N 2 2 302.478 3.107 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)cc2)cc1 ZINC001235215998 1098886970 /nfs/dbraw/zinc/88/69/70/1098886970.db2.gz VRFDIUIUNJLUFE-QUCCMNQESA-N 2 2 308.425 3.243 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)cc2)cc1 ZINC001235215998 1098886980 /nfs/dbraw/zinc/88/69/80/1098886980.db2.gz VRFDIUIUNJLUFE-QUCCMNQESA-N 2 2 308.425 3.243 20 0 DGADLP Oc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc(F)c1F ZINC001235237337 1098909661 /nfs/dbraw/zinc/90/96/61/1098909661.db2.gz AINBOINPVJQWST-OAHLLOKOSA-N 2 2 310.388 3.025 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)ccc1OCc1ccccc1 ZINC001235256968 1098929825 /nfs/dbraw/zinc/92/98/25/1098929825.db2.gz HRDJHZFGRUAAOJ-WOJBJXKFSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)ccc1OCc1ccccc1 ZINC001235256968 1098929830 /nfs/dbraw/zinc/92/98/30/1098929830.db2.gz HRDJHZFGRUAAOJ-WOJBJXKFSA-N 2 2 322.452 3.368 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001235257909 1098929958 /nfs/dbraw/zinc/92/99/58/1098929958.db2.gz JUWPQDYRFSROCL-CRAIPNDOSA-N 2 2 305.425 3.125 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)ccc21 ZINC001235257909 1098929967 /nfs/dbraw/zinc/92/99/67/1098929967.db2.gz JUWPQDYRFSROCL-CRAIPNDOSA-N 2 2 305.425 3.125 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1cc(Cl)cc(Br)c1F ZINC001235435166 1099032985 /nfs/dbraw/zinc/03/29/85/1099032985.db2.gz BSPVILYQLPFWII-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1cc(Cl)cc(Br)c1F ZINC001235435166 1099032996 /nfs/dbraw/zinc/03/29/96/1099032996.db2.gz BSPVILYQLPFWII-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1cccc(F)c1OCc1ccccc1 ZINC001235439324 1099033691 /nfs/dbraw/zinc/03/36/91/1099033691.db2.gz BSEWDAIMFGWASA-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1cccc(F)c1OCc1ccccc1 ZINC001235439324 1099033704 /nfs/dbraw/zinc/03/37/04/1099033704.db2.gz BSEWDAIMFGWASA-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CC[C@H](C)[NH+](C)C)cc1Cl ZINC001179265916 1099050223 /nfs/dbraw/zinc/05/02/23/1099050223.db2.gz GOZJCBLBDWRDEA-JTQLQIEISA-N 2 2 305.249 3.432 20 0 DGADLP CCc1sc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1Br ZINC001235673668 1099116719 /nfs/dbraw/zinc/11/67/19/1099116719.db2.gz CDZIJXRGGZXRAL-SNVBAGLBSA-N 2 2 317.296 3.244 20 0 DGADLP CCc1sc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1Br ZINC001235673668 1099116721 /nfs/dbraw/zinc/11/67/21/1099116721.db2.gz CDZIJXRGGZXRAL-SNVBAGLBSA-N 2 2 317.296 3.244 20 0 DGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402578 1099082581 /nfs/dbraw/zinc/08/25/81/1099082581.db2.gz VTSIQCPFBUIJRM-KBAYOESNSA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402578 1099082593 /nfs/dbraw/zinc/08/25/93/1099082593.db2.gz VTSIQCPFBUIJRM-KBAYOESNSA-N 2 2 304.478 3.179 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620091 1099100308 /nfs/dbraw/zinc/10/03/08/1099100308.db2.gz BVEYXJKETANGII-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620091 1099100315 /nfs/dbraw/zinc/10/03/15/1099100315.db2.gz BVEYXJKETANGII-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620091 1099100318 /nfs/dbraw/zinc/10/03/18/1099100318.db2.gz BVEYXJKETANGII-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620091 1099100326 /nfs/dbraw/zinc/10/03/26/1099100326.db2.gz BVEYXJKETANGII-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCCC[C@H]2c2ccccc2F)CO1 ZINC001235677663 1099119729 /nfs/dbraw/zinc/11/97/29/1099119729.db2.gz HSRPPULDFXPZKL-YOEHRIQHSA-N 2 2 306.425 3.467 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCCC[C@H]2c2ccccc2F)CO1 ZINC001235677663 1099119735 /nfs/dbraw/zinc/11/97/35/1099119735.db2.gz HSRPPULDFXPZKL-YOEHRIQHSA-N 2 2 306.425 3.467 20 0 DGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC001235690876 1099130555 /nfs/dbraw/zinc/13/05/55/1099130555.db2.gz FUZSRCWQOUVOCP-UHFFFAOYSA-N 2 2 318.440 3.254 20 0 DGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC001235690876 1099130557 /nfs/dbraw/zinc/13/05/57/1099130557.db2.gz FUZSRCWQOUVOCP-UHFFFAOYSA-N 2 2 318.440 3.254 20 0 DGADLP C[N@H+](Cc1ccccc1-c1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC001235743843 1099160279 /nfs/dbraw/zinc/16/02/79/1099160279.db2.gz YYXMUWYKGNQJDF-OAHLLOKOSA-N 2 2 302.368 3.426 20 0 DGADLP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC001235743843 1099160282 /nfs/dbraw/zinc/16/02/82/1099160282.db2.gz YYXMUWYKGNQJDF-OAHLLOKOSA-N 2 2 302.368 3.426 20 0 DGADLP CC[N@H+](Cc1c(C)cccc1Br)C1CC[NH2+]CC1 ZINC001235764485 1099170269 /nfs/dbraw/zinc/17/02/69/1099170269.db2.gz GOOUOMSKJXBTAT-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1c(C)cccc1Br)C1CC[NH2+]CC1 ZINC001235764485 1099170272 /nfs/dbraw/zinc/17/02/72/1099170272.db2.gz GOOUOMSKJXBTAT-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC001235789340 1099179917 /nfs/dbraw/zinc/17/99/17/1099179917.db2.gz PMFHLSQILNDEQM-UHFFFAOYSA-N 2 2 304.381 3.482 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001235789698 1099180494 /nfs/dbraw/zinc/18/04/94/1099180494.db2.gz WEJVCZVSSRELPH-UHFFFAOYSA-N 2 2 320.330 3.107 20 0 DGADLP COCCC[N@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235805740 1099187174 /nfs/dbraw/zinc/18/71/74/1099187174.db2.gz KETLOVDCAGDNPK-IBGZPJMESA-N 2 2 304.478 3.202 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235805740 1099187179 /nfs/dbraw/zinc/18/71/79/1099187179.db2.gz KETLOVDCAGDNPK-IBGZPJMESA-N 2 2 304.478 3.202 20 0 DGADLP COCCC[N@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001235806005 1099187583 /nfs/dbraw/zinc/18/75/83/1099187583.db2.gz IACSWJUJNBMSEI-MRXNPFEDSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@@H+](Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001235806005 1099187584 /nfs/dbraw/zinc/18/75/84/1099187584.db2.gz IACSWJUJNBMSEI-MRXNPFEDSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807314 1099189963 /nfs/dbraw/zinc/18/99/63/1099189963.db2.gz UBKOEYNPKJXZNP-INIZCTEOSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807314 1099189967 /nfs/dbraw/zinc/18/99/67/1099189967.db2.gz UBKOEYNPKJXZNP-INIZCTEOSA-N 2 2 312.404 3.215 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235841637 1099205510 /nfs/dbraw/zinc/20/55/10/1099205510.db2.gz GMNWTUQUOOWMBK-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235841637 1099205520 /nfs/dbraw/zinc/20/55/20/1099205520.db2.gz GMNWTUQUOOWMBK-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)c2c1 ZINC001235892108 1099236253 /nfs/dbraw/zinc/23/62/53/1099236253.db2.gz KXXWSJMTTODEKF-UKRRQHHQSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)c2c1 ZINC001235892108 1099236266 /nfs/dbraw/zinc/23/62/66/1099236266.db2.gz KXXWSJMTTODEKF-UKRRQHHQSA-N 2 2 314.429 3.169 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2c1 ZINC001235930985 1099267127 /nfs/dbraw/zinc/26/71/27/1099267127.db2.gz YYWMEWFWLYSBRR-CJNGLKHVSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2c1 ZINC001235930985 1099267132 /nfs/dbraw/zinc/26/71/32/1099267132.db2.gz YYWMEWFWLYSBRR-CJNGLKHVSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc2c1 ZINC001235940307 1099274303 /nfs/dbraw/zinc/27/43/03/1099274303.db2.gz SDUSEABSLXVFGY-HOCLYGCPSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc2c1 ZINC001235940307 1099274313 /nfs/dbraw/zinc/27/43/13/1099274313.db2.gz SDUSEABSLXVFGY-HOCLYGCPSA-N 2 2 315.848 3.238 20 0 DGADLP Clc1cccc([C@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001235946691 1099279204 /nfs/dbraw/zinc/27/92/04/1099279204.db2.gz PKVWBUQZCWJUER-CZUORRHYSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1cccc([C@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001235946691 1099279213 /nfs/dbraw/zinc/27/92/13/1099279213.db2.gz PKVWBUQZCWJUER-CZUORRHYSA-N 2 2 310.894 3.430 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1c[nH]c2ccc(Br)cc12 ZINC001235947370 1099280074 /nfs/dbraw/zinc/28/00/74/1099280074.db2.gz ANSMJNFFYHIBNX-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1c[nH]c2ccc(Br)cc12 ZINC001235947370 1099280079 /nfs/dbraw/zinc/28/00/79/1099280079.db2.gz ANSMJNFFYHIBNX-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1cc(Cl)cc(Br)c1 ZINC001235947630 1099280841 /nfs/dbraw/zinc/28/08/41/1099280841.db2.gz KRLTZHNHKSGPKM-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1cc(Cl)cc(Br)c1 ZINC001235947630 1099280851 /nfs/dbraw/zinc/28/08/51/1099280851.db2.gz KRLTZHNHKSGPKM-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1c[nH]c2cccc(Br)c12 ZINC001235947285 1099281156 /nfs/dbraw/zinc/28/11/56/1099281156.db2.gz IGCKRXKDLLVGSK-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1c[nH]c2cccc(Br)c12 ZINC001235947285 1099281162 /nfs/dbraw/zinc/28/11/62/1099281162.db2.gz IGCKRXKDLLVGSK-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989809 1099314218 /nfs/dbraw/zinc/31/42/18/1099314218.db2.gz DNUDLPCCIJEFDV-QAPCUYQASA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989809 1099314228 /nfs/dbraw/zinc/31/42/28/1099314228.db2.gz DNUDLPCCIJEFDV-QAPCUYQASA-N 2 2 313.832 3.325 20 0 DGADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001236084677 1099377353 /nfs/dbraw/zinc/37/73/53/1099377353.db2.gz DMKXLVXAZILHKF-NSHDSACASA-N 2 2 302.340 3.112 20 0 DGADLP CC(C)Oc1ncccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236105688 1099394831 /nfs/dbraw/zinc/39/48/31/1099394831.db2.gz JECPUIVSWYORFP-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ncccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236105688 1099394841 /nfs/dbraw/zinc/39/48/41/1099394841.db2.gz JECPUIVSWYORFP-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213701 1099469867 /nfs/dbraw/zinc/46/98/67/1099469867.db2.gz BCWMDMMCABLBKX-UONOGXRCSA-N 2 2 315.230 3.290 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236205817 1099461914 /nfs/dbraw/zinc/46/19/14/1099461914.db2.gz HAKNKLGVWJWGEF-OAHLLOKOSA-N 2 2 316.367 3.468 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236205817 1099461917 /nfs/dbraw/zinc/46/19/17/1099461917.db2.gz HAKNKLGVWJWGEF-OAHLLOKOSA-N 2 2 316.367 3.468 20 0 DGADLP C[N@H+](Cc1ccnc2c(Cl)cccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207043 1099462147 /nfs/dbraw/zinc/46/21/47/1099462147.db2.gz NKNSGBKNZANDAT-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccnc2c(Cl)cccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207043 1099462152 /nfs/dbraw/zinc/46/21/52/1099462152.db2.gz NKNSGBKNZANDAT-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@]1(C)CCC[NH2+]C1 ZINC001236208107 1099464023 /nfs/dbraw/zinc/46/40/23/1099464023.db2.gz RAXHPMREWSGMKP-LJQANCHMSA-N 2 2 302.462 3.364 20 0 DGADLP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@]1(C)CCC[NH2+]C1 ZINC001236208107 1099464029 /nfs/dbraw/zinc/46/40/29/1099464029.db2.gz RAXHPMREWSGMKP-LJQANCHMSA-N 2 2 302.462 3.364 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213173 1099468643 /nfs/dbraw/zinc/46/86/43/1099468643.db2.gz AKRKAUMXRORUME-STQMWFEESA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213173 1099468649 /nfs/dbraw/zinc/46/86/49/1099468649.db2.gz AKRKAUMXRORUME-STQMWFEESA-N 2 2 320.330 3.426 20 0 DGADLP C[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213701 1099469863 /nfs/dbraw/zinc/46/98/63/1099469863.db2.gz BCWMDMMCABLBKX-UONOGXRCSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219472 1099478072 /nfs/dbraw/zinc/47/80/72/1099478072.db2.gz WQEMGTIAZGDBOC-STQMWFEESA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219472 1099478076 /nfs/dbraw/zinc/47/80/76/1099478076.db2.gz WQEMGTIAZGDBOC-STQMWFEESA-N 2 2 320.330 3.426 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236241026 1099495914 /nfs/dbraw/zinc/49/59/14/1099495914.db2.gz OOMWNBKCHBQDBJ-LJQANCHMSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236241026 1099495926 /nfs/dbraw/zinc/49/59/26/1099495926.db2.gz OOMWNBKCHBQDBJ-LJQANCHMSA-N 2 2 314.473 3.297 20 0 DGADLP CCn1c2ccccc2nc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001180708344 1099496423 /nfs/dbraw/zinc/49/64/23/1099496423.db2.gz TXADFZZYHNPEOO-UHFFFAOYSA-N 2 2 312.461 3.020 20 0 DGADLP c1cn2cc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001236269444 1099509664 /nfs/dbraw/zinc/50/96/64/1099509664.db2.gz GZTRCHFTSPJRAF-IBGZPJMESA-N 2 2 320.440 3.089 20 0 DGADLP CCC[N@H+](Cc1ccccc1C1CCOCC1)[C@H]1CC[NH2+]C1 ZINC001236324064 1099537580 /nfs/dbraw/zinc/53/75/80/1099537580.db2.gz NOPRQLFANFRRPX-SFHVURJKSA-N 2 2 302.462 3.155 20 0 DGADLP CCC[N@@H+](Cc1ccccc1C1CCOCC1)[C@H]1CC[NH2+]C1 ZINC001236324064 1099537593 /nfs/dbraw/zinc/53/75/93/1099537593.db2.gz NOPRQLFANFRRPX-SFHVURJKSA-N 2 2 302.462 3.155 20 0 DGADLP CCC[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236324649 1099539200 /nfs/dbraw/zinc/53/92/00/1099539200.db2.gz UAGKTCKEQSRHBD-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236324649 1099539211 /nfs/dbraw/zinc/53/92/11/1099539211.db2.gz UAGKTCKEQSRHBD-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP COCC[N@H+](Cc1ccc(C)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236327407 1099540659 /nfs/dbraw/zinc/54/06/59/1099540659.db2.gz FKZXBTRXARLDMH-GOSISDBHSA-N 2 2 312.457 3.349 20 0 DGADLP COCC[N@@H+](Cc1ccc(C)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236327407 1099540668 /nfs/dbraw/zinc/54/06/68/1099540668.db2.gz FKZXBTRXARLDMH-GOSISDBHSA-N 2 2 312.457 3.349 20 0 DGADLP COCC[N@H+](Cc1cccc2c(F)cccc12)[C@H]1CCC[NH2+]C1 ZINC001236327201 1099541443 /nfs/dbraw/zinc/54/14/43/1099541443.db2.gz FBRBLVKPABWRHV-INIZCTEOSA-N 2 2 316.420 3.179 20 0 DGADLP COCC[N@@H+](Cc1cccc2c(F)cccc12)[C@H]1CCC[NH2+]C1 ZINC001236327201 1099541454 /nfs/dbraw/zinc/54/14/54/1099541454.db2.gz FBRBLVKPABWRHV-INIZCTEOSA-N 2 2 316.420 3.179 20 0 DGADLP CCC(=O)C(C)(C)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236368958 1099554616 /nfs/dbraw/zinc/55/46/16/1099554616.db2.gz WXBNOWQHYONTSZ-UHFFFAOYSA-N 2 2 320.452 3.385 20 0 DGADLP CCC(=O)C(C)(C)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236368958 1099554627 /nfs/dbraw/zinc/55/46/27/1099554627.db2.gz WXBNOWQHYONTSZ-UHFFFAOYSA-N 2 2 320.452 3.385 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409721 1099584086 /nfs/dbraw/zinc/58/40/86/1099584086.db2.gz AVZZHSZUCPLEFS-PJXYFTJBSA-N 2 2 304.743 3.008 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409721 1099584094 /nfs/dbraw/zinc/58/40/94/1099584094.db2.gz AVZZHSZUCPLEFS-PJXYFTJBSA-N 2 2 304.743 3.008 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435097 1099610416 /nfs/dbraw/zinc/61/04/16/1099610416.db2.gz RSOAOAMNQYDJEF-GOSISDBHSA-N 2 2 302.393 3.111 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435097 1099610424 /nfs/dbraw/zinc/61/04/24/1099610424.db2.gz RSOAOAMNQYDJEF-GOSISDBHSA-N 2 2 302.393 3.111 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434932 1099610931 /nfs/dbraw/zinc/61/09/31/1099610931.db2.gz YFZLPKGOBYNLFQ-JSGCOSHPSA-N 2 2 302.340 3.459 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434932 1099610936 /nfs/dbraw/zinc/61/09/36/1099610936.db2.gz YFZLPKGOBYNLFQ-JSGCOSHPSA-N 2 2 302.340 3.459 20 0 DGADLP CC(C)C[N@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236472738 1099631522 /nfs/dbraw/zinc/63/15/22/1099631522.db2.gz BWBZMZGKMSVJBR-GOSISDBHSA-N 2 2 312.461 3.287 20 0 DGADLP CC(C)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236472738 1099631524 /nfs/dbraw/zinc/63/15/24/1099631524.db2.gz BWBZMZGKMSVJBR-GOSISDBHSA-N 2 2 312.461 3.287 20 0 DGADLP Cc1ccc(C[N@H+](C[C@@H]2CCC=CO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492660 1099644302 /nfs/dbraw/zinc/64/43/02/1099644302.db2.gz NZUVBPSVONCSBH-SFHVURJKSA-N 2 2 318.436 3.381 20 0 DGADLP Cc1ccc(C[N@@H+](C[C@@H]2CCC=CO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492660 1099644307 /nfs/dbraw/zinc/64/43/07/1099644307.db2.gz NZUVBPSVONCSBH-SFHVURJKSA-N 2 2 318.436 3.381 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236526879 1099662241 /nfs/dbraw/zinc/66/22/41/1099662241.db2.gz DPCHWKNTXGJQRV-CQSZACIVSA-N 2 2 316.367 3.466 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236526879 1099662249 /nfs/dbraw/zinc/66/22/49/1099662249.db2.gz DPCHWKNTXGJQRV-CQSZACIVSA-N 2 2 316.367 3.466 20 0 DGADLP COCc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236650732 1099721224 /nfs/dbraw/zinc/72/12/24/1099721224.db2.gz DTLQDWBTPNYPSF-OAHLLOKOSA-N 2 2 308.491 3.391 20 0 DGADLP COCc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)s1 ZINC001236650732 1099721233 /nfs/dbraw/zinc/72/12/33/1099721233.db2.gz DTLQDWBTPNYPSF-OAHLLOKOSA-N 2 2 308.491 3.391 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc2c(c(OC)c1)NC(C)(C)C=C2 ZINC001236883366 1099850391 /nfs/dbraw/zinc/85/03/91/1099850391.db2.gz DAOBNBJQAIWOHO-HNNXBMFYSA-N 2 2 303.450 3.082 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc2c(c(OC)c1)NC(C)(C)C=C2 ZINC001236883366 1099850399 /nfs/dbraw/zinc/85/03/99/1099850399.db2.gz DAOBNBJQAIWOHO-HNNXBMFYSA-N 2 2 303.450 3.082 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@]1(C)O ZINC001236902442 1099865507 /nfs/dbraw/zinc/86/55/07/1099865507.db2.gz BIONJQMJEXSZIK-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@]1(C)O ZINC001236902442 1099865514 /nfs/dbraw/zinc/86/55/14/1099865514.db2.gz BIONJQMJEXSZIK-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912346 1099871313 /nfs/dbraw/zinc/87/13/13/1099871313.db2.gz PUBNVDJLYTWGIG-WMLDXEAASA-N 2 2 317.820 3.137 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912346 1099871322 /nfs/dbraw/zinc/87/13/22/1099871322.db2.gz PUBNVDJLYTWGIG-WMLDXEAASA-N 2 2 317.820 3.137 20 0 DGADLP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236921694 1099880762 /nfs/dbraw/zinc/88/07/62/1099880762.db2.gz LZAZLZXRKUSRBA-DUVNUKRYSA-N 2 2 305.784 3.458 20 0 DGADLP CCCC[C@H](CC)C[N@H+](C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001237037128 1099935643 /nfs/dbraw/zinc/93/56/43/1099935643.db2.gz GFPDDSNZZLSAME-KRWDZBQOSA-N 3 2 309.542 3.351 20 0 DGADLP CCCC[C@H](CC)C[N@@H+](C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001237037128 1099935654 /nfs/dbraw/zinc/93/56/54/1099935654.db2.gz GFPDDSNZZLSAME-KRWDZBQOSA-N 3 2 309.542 3.351 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001237060161 1099954177 /nfs/dbraw/zinc/95/41/77/1099954177.db2.gz XYYNLXXWMUAUSN-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001237060161 1099954186 /nfs/dbraw/zinc/95/41/86/1099954186.db2.gz XYYNLXXWMUAUSN-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP Cc1c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)cccc1-c1ccccc1 ZINC001237143148 1099992034 /nfs/dbraw/zinc/99/20/34/1099992034.db2.gz PPDJMSBEESNEOP-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1c(C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)cccc1-c1ccccc1 ZINC001237143148 1099992041 /nfs/dbraw/zinc/99/20/41/1099992041.db2.gz PPDJMSBEESNEOP-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142700 1099994343 /nfs/dbraw/zinc/99/43/43/1099994343.db2.gz OULQUFIUHCQSKJ-YLJYHZDGSA-N 2 2 316.489 3.053 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142700 1099994355 /nfs/dbraw/zinc/99/43/55/1099994355.db2.gz OULQUFIUHCQSKJ-YLJYHZDGSA-N 2 2 316.489 3.053 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237153688 1100001892 /nfs/dbraw/zinc/00/18/92/1100001892.db2.gz GTHHWGPGVWPWRB-OAHLLOKOSA-N 2 2 316.474 3.245 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237153688 1100001900 /nfs/dbraw/zinc/00/19/00/1100001900.db2.gz GTHHWGPGVWPWRB-OAHLLOKOSA-N 2 2 316.474 3.245 20 0 DGADLP O=c1[nH]cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001237158175 1100007554 /nfs/dbraw/zinc/00/75/54/1100007554.db2.gz YEPKUBFLCJYMBE-MRXNPFEDSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001237158175 1100007566 /nfs/dbraw/zinc/00/75/66/1100007566.db2.gz YEPKUBFLCJYMBE-MRXNPFEDSA-N 2 2 311.429 3.047 20 0 DGADLP FC1(C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]CC1 ZINC001237265226 1100053132 /nfs/dbraw/zinc/05/31/32/1100053132.db2.gz NTEQXYCTHGBAIY-UHFFFAOYSA-N 2 2 317.235 3.443 20 0 DGADLP FC1(C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)CC[NH2+]CC1 ZINC001237265226 1100053137 /nfs/dbraw/zinc/05/31/37/1100053137.db2.gz NTEQXYCTHGBAIY-UHFFFAOYSA-N 2 2 317.235 3.443 20 0 DGADLP Cc1ncsc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277769 1100057160 /nfs/dbraw/zinc/05/71/60/1100057160.db2.gz RWINHDLSUCFUNJ-UHFFFAOYSA-N 2 2 313.470 3.089 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282199 1100058693 /nfs/dbraw/zinc/05/86/93/1100058693.db2.gz LMGZSOBXIMKQRA-KBPBESRZSA-N 2 2 310.388 3.016 20 0 DGADLP CC[N@H+](Cc1ccc2ncnc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001237585876 1100179005 /nfs/dbraw/zinc/17/90/05/1100179005.db2.gz ROMVRTLOTAWLBP-UHFFFAOYSA-N 2 2 318.852 3.199 20 0 DGADLP CC[N@@H+](Cc1ccc2ncnc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001237585876 1100179010 /nfs/dbraw/zinc/17/90/10/1100179010.db2.gz ROMVRTLOTAWLBP-UHFFFAOYSA-N 2 2 318.852 3.199 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc21 ZINC001237880487 1100278194 /nfs/dbraw/zinc/27/81/94/1100278194.db2.gz GOBCDETVJHUIII-GASCZTMLSA-N 2 2 300.446 3.297 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc21 ZINC001237880487 1100278198 /nfs/dbraw/zinc/27/81/98/1100278198.db2.gz GOBCDETVJHUIII-GASCZTMLSA-N 2 2 300.446 3.297 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)CCC[NH+](C)C)cc21 ZINC001237881446 1100280460 /nfs/dbraw/zinc/28/04/60/1100280460.db2.gz RPISGVZWTIUDGP-UHFFFAOYSA-N 3 2 301.478 3.071 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)CCC[NH+](C)C)cc21 ZINC001237881446 1100280464 /nfs/dbraw/zinc/28/04/64/1100280464.db2.gz RPISGVZWTIUDGP-UHFFFAOYSA-N 3 2 301.478 3.071 20 0 DGADLP Cc1ccc(O)cc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001238107571 1100365005 /nfs/dbraw/zinc/36/50/05/1100365005.db2.gz SEVZDSHZBMOWMY-UHFFFAOYSA-N 2 2 306.425 3.099 20 0 DGADLP CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2c[nH+]cn21 ZINC001238115580 1100366763 /nfs/dbraw/zinc/36/67/63/1100366763.db2.gz JKEXCOYYQYDGGR-UHFFFAOYSA-N 2 2 309.369 3.085 20 0 DGADLP CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2c[nH+]cn21 ZINC001238115580 1100366771 /nfs/dbraw/zinc/36/67/71/1100366771.db2.gz JKEXCOYYQYDGGR-UHFFFAOYSA-N 2 2 309.369 3.085 20 0 DGADLP C[NH+]1CCC2(CC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)CC1 ZINC001238147830 1100374524 /nfs/dbraw/zinc/37/45/24/1100374524.db2.gz BSRDNIATDFCSAZ-UHFFFAOYSA-N 2 2 312.816 3.102 20 0 DGADLP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Cl)c(O)cc3F)C2)CC1 ZINC001238147830 1100374532 /nfs/dbraw/zinc/37/45/32/1100374532.db2.gz BSRDNIATDFCSAZ-UHFFFAOYSA-N 2 2 312.816 3.102 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238201895 1100391138 /nfs/dbraw/zinc/39/11/38/1100391138.db2.gz CSPNVJRSEDGHOX-UHFFFAOYSA-N 2 2 310.445 3.135 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238201895 1100391149 /nfs/dbraw/zinc/39/11/49/1100391149.db2.gz CSPNVJRSEDGHOX-UHFFFAOYSA-N 2 2 310.445 3.135 20 0 DGADLP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cnc1OC(C)C ZINC001238388793 1100431928 /nfs/dbraw/zinc/43/19/28/1100431928.db2.gz CBBOPYDYHPXJDV-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cnc1OC(C)C ZINC001238388793 1100431932 /nfs/dbraw/zinc/43/19/32/1100431932.db2.gz CBBOPYDYHPXJDV-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP CCCCOc1ncc(C[N@H+](CC)CCC[NH+](C)C)cc1C ZINC001238491953 1100457873 /nfs/dbraw/zinc/45/78/73/1100457873.db2.gz GMKWZTAELRJGGU-UHFFFAOYSA-N 2 2 307.482 3.343 20 0 DGADLP CCCCOc1ncc(C[N@@H+](CC)CCC[NH+](C)C)cc1C ZINC001238491953 1100457877 /nfs/dbraw/zinc/45/78/77/1100457877.db2.gz GMKWZTAELRJGGU-UHFFFAOYSA-N 2 2 307.482 3.343 20 0 DGADLP Cn1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC001239541839 1100685967 /nfs/dbraw/zinc/68/59/67/1100685967.db2.gz OORPCZYRMCAGJC-MRXNPFEDSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC001239541839 1100685968 /nfs/dbraw/zinc/68/59/68/1100685968.db2.gz OORPCZYRMCAGJC-MRXNPFEDSA-N 2 2 305.425 3.378 20 0 DGADLP c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cnc1C[NH+]1CCOCC1 ZINC001239589929 1100696952 /nfs/dbraw/zinc/69/69/52/1100696952.db2.gz WEBSIIVDWSLYOZ-HXUWFJFHSA-N 2 2 323.440 3.005 20 0 DGADLP Cn1ccc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc21 ZINC001239940394 1100805608 /nfs/dbraw/zinc/80/56/08/1100805608.db2.gz GPSIJIRQLQPYNV-UHFFFAOYSA-N 2 2 302.381 3.180 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cncc4ccccc43)c2)C1 ZINC001239948910 1100808857 /nfs/dbraw/zinc/80/88/57/1100808857.db2.gz KPTQOLAOJCKLDG-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cncc4ccccc43)c2)C1 ZINC001239948910 1100808862 /nfs/dbraw/zinc/80/88/62/1100808862.db2.gz KPTQOLAOJCKLDG-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP c1cn2cc(-c3ccc(COC4CC[NH2+]CC4)cc3)ccc2[nH+]1 ZINC001240218515 1100899943 /nfs/dbraw/zinc/89/99/43/1100899943.db2.gz PLYPAHQFEAZGQM-UHFFFAOYSA-N 2 2 307.397 3.270 20 0 DGADLP CC(C)(O)c1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001240409535 1100983381 /nfs/dbraw/zinc/98/33/81/1100983381.db2.gz DRPKHJPZBVBOJI-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001240409535 1100983386 /nfs/dbraw/zinc/98/33/86/1100983386.db2.gz DRPKHJPZBVBOJI-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC001240983504 1101209236 /nfs/dbraw/zinc/20/92/36/1101209236.db2.gz YFMYRKJRWQOYOR-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC001240983504 1101209239 /nfs/dbraw/zinc/20/92/39/1101209239.db2.gz YFMYRKJRWQOYOR-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP CCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1F ZINC001241085914 1101247930 /nfs/dbraw/zinc/24/79/30/1101247930.db2.gz DSDZKUJXKLUGNL-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP Fc1cc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)c1 ZINC001241171438 1101283129 /nfs/dbraw/zinc/28/31/29/1101283129.db2.gz VHZLMKALIZRNLO-UHFFFAOYSA-N 2 2 303.287 3.105 20 0 DGADLP CC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001241262381 1101330246 /nfs/dbraw/zinc/33/02/46/1101330246.db2.gz VRRDWJQKSORPDU-KRWDZBQOSA-N 2 2 312.388 3.228 20 0 DGADLP CC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001241262381 1101330262 /nfs/dbraw/zinc/33/02/62/1101330262.db2.gz VRRDWJQKSORPDU-KRWDZBQOSA-N 2 2 312.388 3.228 20 0 DGADLP Cc1sc2nc(C[NH+](C)C)nc(C3=CC[N@H+](C)CC3)c2c1C ZINC001241313301 1101370532 /nfs/dbraw/zinc/37/05/32/1101370532.db2.gz XFPXTEYQVUYQGO-UHFFFAOYSA-N 2 2 316.474 3.089 20 0 DGADLP Cc1sc2nc(C[NH+](C)C)nc(C3=CC[N@@H+](C)CC3)c2c1C ZINC001241313301 1101370547 /nfs/dbraw/zinc/37/05/47/1101370547.db2.gz XFPXTEYQVUYQGO-UHFFFAOYSA-N 2 2 316.474 3.089 20 0 DGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc2c[nH]nc21 ZINC001241516178 1101528676 /nfs/dbraw/zinc/52/86/76/1101528676.db2.gz DWHDPNAXUVXTJO-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc2c[nH]nc21 ZINC001241516178 1101528688 /nfs/dbraw/zinc/52/86/88/1101528688.db2.gz DWHDPNAXUVXTJO-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001241670203 1101622640 /nfs/dbraw/zinc/62/26/40/1101622640.db2.gz FZZHADGCEJUCRF-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001241670203 1101622644 /nfs/dbraw/zinc/62/26/44/1101622644.db2.gz FZZHADGCEJUCRF-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCOc1cccc2ccccc21 ZINC001197701225 1101646177 /nfs/dbraw/zinc/64/61/77/1101646177.db2.gz FXHWXYUKYKOUGP-ZWKOTPCHSA-N 2 2 310.441 3.387 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCOc1cccc2ccccc21 ZINC001197701225 1101646181 /nfs/dbraw/zinc/64/61/81/1101646181.db2.gz FXHWXYUKYKOUGP-ZWKOTPCHSA-N 2 2 310.441 3.387 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCOc1cccc2ccccc21 ZINC001197701225 1101646182 /nfs/dbraw/zinc/64/61/82/1101646182.db2.gz FXHWXYUKYKOUGP-ZWKOTPCHSA-N 2 2 310.441 3.387 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCOc1cccc2ccccc21 ZINC001197701225 1101646188 /nfs/dbraw/zinc/64/61/88/1101646188.db2.gz FXHWXYUKYKOUGP-ZWKOTPCHSA-N 2 2 310.441 3.387 20 0 DGADLP Cc1cc(-c2ccccc2C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC001241989688 1101838657 /nfs/dbraw/zinc/83/86/57/1101838657.db2.gz ZNOTWFQQBYFUDN-UHFFFAOYSA-N 2 2 307.397 3.142 20 0 DGADLP Cc1cc(-c2ccc([C@]34CC[NH2+][C@@H]3COCC4)cc2)cc(C)[nH+]1 ZINC001241992238 1101840039 /nfs/dbraw/zinc/84/00/39/1101840039.db2.gz JPYFARCDKWLUPO-WOJBJXKFSA-N 2 2 308.425 3.385 20 0 DGADLP CC(C)Oc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242223074 1101993960 /nfs/dbraw/zinc/99/39/60/1101993960.db2.gz LVZXPMUOZJZTRT-UHFFFAOYSA-N 2 2 307.397 3.475 20 0 DGADLP Cc1c(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001242288217 1102032161 /nfs/dbraw/zinc/03/21/61/1102032161.db2.gz CBVMFZFRKJVQQM-INIZCTEOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001242288217 1102032176 /nfs/dbraw/zinc/03/21/76/1102032176.db2.gz CBVMFZFRKJVQQM-INIZCTEOSA-N 2 2 302.368 3.473 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2OC)CC1 ZINC001199022192 1102042732 /nfs/dbraw/zinc/04/27/32/1102042732.db2.gz YUVUMQDQHIVDOT-UHFFFAOYSA-N 2 2 313.445 3.207 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001199059553 1102055176 /nfs/dbraw/zinc/05/51/76/1102055176.db2.gz ADJFZJVOYKTJJA-UHFFFAOYSA-N 2 2 309.335 3.456 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC001199178946 1102079360 /nfs/dbraw/zinc/07/93/60/1102079360.db2.gz OCIPASVPGXWEPP-WMLDXEAASA-N 2 2 301.459 3.305 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3O)cc2)C1 ZINC001242365591 1102079571 /nfs/dbraw/zinc/07/95/71/1102079571.db2.gz FZGDJSFYCPHUBR-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3O)cc2)C1 ZINC001242365591 1102079586 /nfs/dbraw/zinc/07/95/86/1102079586.db2.gz FZGDJSFYCPHUBR-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1nn(C)cc1Cl ZINC001199296289 1102104647 /nfs/dbraw/zinc/10/46/47/1102104647.db2.gz RSWWYWFDZGGCOC-UHFFFAOYSA-N 2 2 320.868 3.204 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1nn(C)cc1Cl ZINC001199296289 1102104652 /nfs/dbraw/zinc/10/46/52/1102104652.db2.gz RSWWYWFDZGGCOC-UHFFFAOYSA-N 2 2 320.868 3.204 20 0 DGADLP C[NH+]1CCC(n2cc(-c3ccc(Cn4cc[nH+]c4)cc3)cn2)CC1 ZINC001242729246 1102312930 /nfs/dbraw/zinc/31/29/30/1102312930.db2.gz QNMTZHMHMQHHPD-UHFFFAOYSA-N 2 2 321.428 3.062 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(-c2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC001242729712 1102313378 /nfs/dbraw/zinc/31/33/78/1102313378.db2.gz OHFNFZKSDWPLHH-UHFFFAOYSA-N 2 2 321.428 3.217 20 0 DGADLP CC(C)(C)c1nc(C[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC001200901187 1102443155 /nfs/dbraw/zinc/44/31/55/1102443155.db2.gz HTCRYMWCMRIKFF-UHFFFAOYSA-N 2 2 304.463 3.427 20 0 DGADLP C[NH2+]Cc1cccc(-c2cc(C[NH+]3CCOCC3)ccc2F)c1 ZINC001242999903 1102466519 /nfs/dbraw/zinc/46/65/19/1102466519.db2.gz YHBAIEUUMRNPIY-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP COc1c(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001243226047 1102602568 /nfs/dbraw/zinc/60/25/68/1102602568.db2.gz WQBAINSHOKHCIX-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001243226047 1102602572 /nfs/dbraw/zinc/60/25/72/1102602572.db2.gz WQBAINSHOKHCIX-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543650 1102632101 /nfs/dbraw/zinc/63/21/01/1102632101.db2.gz JBKUCEPNWYRATP-HRCADAONSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543650 1102632105 /nfs/dbraw/zinc/63/21/05/1102632105.db2.gz JBKUCEPNWYRATP-HRCADAONSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201543650 1102632109 /nfs/dbraw/zinc/63/21/09/1102632109.db2.gz JBKUCEPNWYRATP-HRCADAONSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201543650 1102632113 /nfs/dbraw/zinc/63/21/13/1102632113.db2.gz JBKUCEPNWYRATP-HRCADAONSA-N 2 2 307.507 3.476 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3CCCOC3)cc2)CC1 ZINC001201741335 1102710085 /nfs/dbraw/zinc/71/00/85/1102710085.db2.gz GESMQHDVLGLNBM-MRXNPFEDSA-N 2 2 317.477 3.056 20 0 DGADLP CCOc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243535874 1102787762 /nfs/dbraw/zinc/78/77/62/1102787762.db2.gz ICPALMGTBOLODR-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243535874 1102787773 /nfs/dbraw/zinc/78/77/73/1102787773.db2.gz ICPALMGTBOLODR-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3c(Cl)cccc3CO)c2)C1 ZINC001243714480 1102935776 /nfs/dbraw/zinc/93/57/76/1102935776.db2.gz NUVHSKXRBQEXCS-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3c(Cl)cccc3CO)c2)C1 ZINC001243714480 1102935786 /nfs/dbraw/zinc/93/57/86/1102935786.db2.gz NUVHSKXRBQEXCS-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244026479 1103146891 /nfs/dbraw/zinc/14/68/91/1103146891.db2.gz YFBDOCPKWKNJFM-KRWDZBQOSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244026479 1103146898 /nfs/dbraw/zinc/14/68/98/1103146898.db2.gz YFBDOCPKWKNJFM-KRWDZBQOSA-N 2 2 324.424 3.063 20 0 DGADLP COCc1ccc(C)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244173399 1103252841 /nfs/dbraw/zinc/25/28/41/1103252841.db2.gz UAPHHOYWCHFMSH-IBGZPJMESA-N 2 2 310.441 3.341 20 0 DGADLP COCc1ccc(C)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244173399 1103252850 /nfs/dbraw/zinc/25/28/50/1103252850.db2.gz UAPHHOYWCHFMSH-IBGZPJMESA-N 2 2 310.441 3.341 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001326343721 1103282130 /nfs/dbraw/zinc/28/21/30/1103282130.db2.gz OPGQLHUKOHVCIV-SFHVURJKSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001326343721 1103282140 /nfs/dbraw/zinc/28/21/40/1103282140.db2.gz OPGQLHUKOHVCIV-SFHVURJKSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001326343721 1103282148 /nfs/dbraw/zinc/28/21/48/1103282148.db2.gz OPGQLHUKOHVCIV-SFHVURJKSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001326343721 1103282159 /nfs/dbraw/zinc/28/21/59/1103282159.db2.gz OPGQLHUKOHVCIV-SFHVURJKSA-N 2 2 321.896 3.324 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2N2CCCC2)C[C@H]1c1ccccc1 ZINC001326517018 1103351389 /nfs/dbraw/zinc/35/13/89/1103351389.db2.gz FJEJRDWPVZSBRF-VQTJNVASSA-N 2 2 321.468 3.214 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2N2CCCC2)C[C@H]1c1ccccc1 ZINC001326517018 1103351402 /nfs/dbraw/zinc/35/14/02/1103351402.db2.gz FJEJRDWPVZSBRF-VQTJNVASSA-N 2 2 321.468 3.214 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3cc[nH]c(=O)c3c2)C1 ZINC001244314018 1103353498 /nfs/dbraw/zinc/35/34/98/1103353498.db2.gz YKIWOXUUTLQTEQ-KRWDZBQOSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cc[nH]c(=O)c3c2)C1 ZINC001244314018 1103353513 /nfs/dbraw/zinc/35/35/13/1103353513.db2.gz YKIWOXUUTLQTEQ-KRWDZBQOSA-N 2 2 319.408 3.140 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001490764959 1103730274 /nfs/dbraw/zinc/73/02/74/1103730274.db2.gz IQCPNBDJWMSQFZ-QGZVFWFLSA-N 2 2 317.477 3.201 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001490764959 1103730287 /nfs/dbraw/zinc/73/02/87/1103730287.db2.gz IQCPNBDJWMSQFZ-QGZVFWFLSA-N 2 2 317.477 3.201 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001490764958 1103731230 /nfs/dbraw/zinc/73/12/30/1103731230.db2.gz IQCPNBDJWMSQFZ-KRWDZBQOSA-N 2 2 317.477 3.201 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001490764958 1103731242 /nfs/dbraw/zinc/73/12/42/1103731242.db2.gz IQCPNBDJWMSQFZ-KRWDZBQOSA-N 2 2 317.477 3.201 20 0 DGADLP Fc1cccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c21 ZINC001137050121 1103758254 /nfs/dbraw/zinc/75/82/54/1103758254.db2.gz RURKVGMDFMLQEA-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP CNc1cc(-c2ccc(OCC[NH+]3CCCCC3)nc2)cc[nH+]1 ZINC001244978661 1103788684 /nfs/dbraw/zinc/78/86/84/1103788684.db2.gz YBTGXHJTGQYSAF-UHFFFAOYSA-N 2 2 312.417 3.050 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001202520857 1103892737 /nfs/dbraw/zinc/89/27/37/1103892737.db2.gz RFGJWGUCCAPAHO-GOSISDBHSA-N 2 2 308.510 3.316 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001202520857 1103892745 /nfs/dbraw/zinc/89/27/45/1103892745.db2.gz RFGJWGUCCAPAHO-GOSISDBHSA-N 2 2 308.510 3.316 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cncc(OCC3CC3)c2)C1 ZINC001245247153 1103934969 /nfs/dbraw/zinc/93/49/69/1103934969.db2.gz OUNMOBDDIJFQEO-GOSISDBHSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cncc(OCC3CC3)c2)C1 ZINC001245247153 1103934975 /nfs/dbraw/zinc/93/49/75/1103934975.db2.gz OUNMOBDDIJFQEO-GOSISDBHSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cncc(OCC4CC4)c3)c2)C1 ZINC001245247065 1103936147 /nfs/dbraw/zinc/93/61/47/1103936147.db2.gz NBBNKQQOJLZIKY-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cncc(OCC4CC4)c3)c2)C1 ZINC001245247065 1103936154 /nfs/dbraw/zinc/93/61/54/1103936154.db2.gz NBBNKQQOJLZIKY-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP Cc1csc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001137158041 1104022819 /nfs/dbraw/zinc/02/28/19/1104022819.db2.gz BHJHFDHQJNPVIZ-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1csc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001137158041 1104022831 /nfs/dbraw/zinc/02/28/31/1104022831.db2.gz BHJHFDHQJNPVIZ-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP CCOC(=[NH2+])c1cccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001245423762 1104043333 /nfs/dbraw/zinc/04/33/33/1104043333.db2.gz DGTQKFAEIAKIJU-SFHVURJKSA-N 2 2 314.429 3.317 20 0 DGADLP CCOc1cc[nH+]cc1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212804026 1104170466 /nfs/dbraw/zinc/17/04/66/1104170466.db2.gz IFOLRVYDSYWGLK-UHFFFAOYSA-N 2 2 301.390 3.164 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001274221027 1104291467 /nfs/dbraw/zinc/29/14/67/1104291467.db2.gz LDGYYIJOBFTYEC-VOTSOKGWSA-N 2 2 315.461 3.073 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246074453 1104367591 /nfs/dbraw/zinc/36/75/91/1104367591.db2.gz DTXGYZMTQFYQBC-QZTJIDSGSA-N 2 2 300.833 3.487 20 0 DGADLP CC[C@H]1CC[C@H](C2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC001246089641 1104378434 /nfs/dbraw/zinc/37/84/34/1104378434.db2.gz RANCATADKDPEQE-XUVGJJBRSA-N 2 2 308.510 3.340 20 0 DGADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246094392 1104382308 /nfs/dbraw/zinc/38/23/08/1104382308.db2.gz XOXOKJPHFPRFEJ-QEJZJMRPSA-N 2 2 314.470 3.360 20 0 DGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246106158 1104387246 /nfs/dbraw/zinc/38/72/46/1104387246.db2.gz DWQDMXNQCSQUGE-UGFHNGPFSA-N 2 2 317.235 3.140 20 0 DGADLP c1c[nH+]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC001329865769 1104402313 /nfs/dbraw/zinc/40/23/13/1104402313.db2.gz GBXNTWJVQLMRFX-UHFFFAOYSA-N 2 2 318.424 3.321 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246160610 1104411520 /nfs/dbraw/zinc/41/15/20/1104411520.db2.gz UYMGGGVHERRTKX-QZTJIDSGSA-N 2 2 316.395 3.418 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2F)CC[NH2+]1 ZINC001246163000 1104412266 /nfs/dbraw/zinc/41/22/66/1104412266.db2.gz UQKDFDSYAYWHBX-ABAIWWIYSA-N 2 2 300.368 3.360 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246184407 1104428249 /nfs/dbraw/zinc/42/82/49/1104428249.db2.gz KQYRVBTXMBTGLB-VQTJNVASSA-N 3 2 317.521 3.061 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246184407 1104428253 /nfs/dbraw/zinc/42/82/53/1104428253.db2.gz KQYRVBTXMBTGLB-VQTJNVASSA-N 3 2 317.521 3.061 20 0 DGADLP CC[C@@H]1CC([NH2+]Cc2ccc(F)c(OC)c2F)C[C@@H](CC)[NH2+]1 ZINC001246224819 1104446543 /nfs/dbraw/zinc/44/65/43/1104446543.db2.gz JFPUFVQRFKSTFK-CHWSQXEVSA-N 2 2 312.404 3.372 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246248386 1104457351 /nfs/dbraw/zinc/45/73/51/1104457351.db2.gz XABNZAKNTLWYKQ-LMMKCTJWSA-N 3 2 319.468 3.049 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cc(Br)ccc2F)C[C@@H](C)[NH2+]1 ZINC001246249793 1104459357 /nfs/dbraw/zinc/45/93/57/1104459357.db2.gz QQTZDZCUCKAZEN-NXEZZACHSA-N 2 2 315.230 3.207 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cc(Br)ccc2F)C[C@H](C)[NH2+]1 ZINC001246249794 1104459662 /nfs/dbraw/zinc/45/96/62/1104459662.db2.gz QQTZDZCUCKAZEN-UWVGGRQHSA-N 2 2 315.230 3.207 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCCCC3)C1)CO2 ZINC001246277482 1104471039 /nfs/dbraw/zinc/47/10/39/1104471039.db2.gz HTFWCGGYDLQNLJ-GDBMZVCRSA-N 2 2 304.409 3.304 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246280327 1104472154 /nfs/dbraw/zinc/47/21/54/1104472154.db2.gz SZBIZVUQSYHKGA-YJBOKZPZSA-N 2 2 302.368 3.112 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246280389 1104472436 /nfs/dbraw/zinc/47/24/36/1104472436.db2.gz UNOFLHBSFZMIKA-CJNGLKHVSA-N 2 2 320.358 3.251 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)CC[NH2+]1 ZINC001246294320 1104477044 /nfs/dbraw/zinc/47/70/44/1104477044.db2.gz KSNNVIUPZWANKA-BPUTZDHNSA-N 2 2 301.459 3.157 20 0 DGADLP Brc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246298958 1104478539 /nfs/dbraw/zinc/47/85/39/1104478539.db2.gz DTLMWNXSGGEHAC-FUNVUKJBSA-N 2 2 321.262 3.311 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2Cl)CC[NH2+]1 ZINC001246323254 1104489665 /nfs/dbraw/zinc/48/96/65/1104489665.db2.gz DHJKAFMGMYCKGN-ONGXEEELSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C(C)(C)c2cccc(Br)c2)C[NH2+]1 ZINC001246327346 1104491556 /nfs/dbraw/zinc/49/15/56/1104491556.db2.gz MIDPIKNFRHNNIP-RISCZKNCSA-N 2 2 311.267 3.414 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246331951 1104494341 /nfs/dbraw/zinc/49/43/41/1104494341.db2.gz CMXYZDMQNKTDEH-SXLOBPIMSA-N 3 2 317.521 3.394 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246331951 1104494345 /nfs/dbraw/zinc/49/43/45/1104494345.db2.gz CMXYZDMQNKTDEH-SXLOBPIMSA-N 3 2 317.521 3.394 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246371048 1104512676 /nfs/dbraw/zinc/51/26/76/1104512676.db2.gz ULXXCPJJKCOOSQ-HZPDHXFCSA-N 2 2 317.477 3.413 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC[NH2+]1 ZINC001246390128 1104520778 /nfs/dbraw/zinc/52/07/78/1104520778.db2.gz WRNBUZXVTORNKX-MSOLQXFVSA-N 3 2 307.526 3.281 20 0 DGADLP Fc1cccc([C@@H](CC2CCOCC2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246404139 1104529218 /nfs/dbraw/zinc/52/92/18/1104529218.db2.gz IMKJCBRXEUWNMN-ZWKOTPCHSA-N 2 2 306.425 3.025 20 0 DGADLP COc1ccc(C2([NH2+][C@@H]3C[NH2+][C@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246460627 1104547043 /nfs/dbraw/zinc/54/70/43/1104547043.db2.gz WAPUQXDHCLUSDH-HIFRSBDPSA-N 2 2 324.415 3.440 20 0 DGADLP CCc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509901 1104569994 /nfs/dbraw/zinc/56/99/94/1104569994.db2.gz KKPFNRSLSLTGGZ-MGPUTAFESA-N 2 2 312.457 3.478 20 0 DGADLP [NH3+]C[C@@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1ccccc1 ZINC001246508674 1104570226 /nfs/dbraw/zinc/57/02/26/1104570226.db2.gz WPNDWBHJBJLTBH-LJQANCHMSA-N 2 2 313.420 3.084 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001246513118 1104572727 /nfs/dbraw/zinc/57/27/27/1104572727.db2.gz VQCKIWSWUUCTCN-SJLPKXTDSA-N 2 2 316.832 3.105 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H](C)Cc2cccc(F)c2)c1 ZINC001246513918 1104572898 /nfs/dbraw/zinc/57/28/98/1104572898.db2.gz YHJTYZAEQYQIII-SCLBCKFNSA-N 2 2 302.393 3.055 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2COc3c2cccc3OC)CC[NH2+]1 ZINC001246517098 1104574230 /nfs/dbraw/zinc/57/42/30/1104574230.db2.gz ZOUWQHVPBWUBDF-YCPHGPKFSA-N 2 2 304.434 3.029 20 0 DGADLP CCC1CCC([NH2+]C[C@H]([NH3+])c2ccc(C(=O)OC)cc2)CC1 ZINC001246518807 1104574272 /nfs/dbraw/zinc/57/42/72/1104574272.db2.gz JKQDFWNQUTUPBG-IMRCBTMISA-N 2 2 304.434 3.031 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246535767 1104582609 /nfs/dbraw/zinc/58/26/09/1104582609.db2.gz KQRXJIIXYYAMPQ-HBFSDRIKSA-N 2 2 309.457 3.424 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246535767 1104582617 /nfs/dbraw/zinc/58/26/17/1104582617.db2.gz KQRXJIIXYYAMPQ-HBFSDRIKSA-N 2 2 309.457 3.424 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551041 1104591381 /nfs/dbraw/zinc/59/13/81/1104591381.db2.gz KAPHXLJOCKOYLZ-WDSOQIARSA-N 3 2 319.468 3.131 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551041 1104591388 /nfs/dbraw/zinc/59/13/88/1104591388.db2.gz KAPHXLJOCKOYLZ-WDSOQIARSA-N 3 2 319.468 3.131 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554276 1104593278 /nfs/dbraw/zinc/59/32/78/1104593278.db2.gz DOBJYOKWULQUSX-CMPLNLGQSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554276 1104593285 /nfs/dbraw/zinc/59/32/85/1104593285.db2.gz DOBJYOKWULQUSX-CMPLNLGQSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001246593933 1104612174 /nfs/dbraw/zinc/61/21/74/1104612174.db2.gz PEFXWTQWYHAJHA-YZGWKJHDSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593933 1104612178 /nfs/dbraw/zinc/61/21/78/1104612178.db2.gz PEFXWTQWYHAJHA-YZGWKJHDSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593933 1104612184 /nfs/dbraw/zinc/61/21/84/1104612184.db2.gz PEFXWTQWYHAJHA-YZGWKJHDSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593933 1104612190 /nfs/dbraw/zinc/61/21/90/1104612190.db2.gz PEFXWTQWYHAJHA-YZGWKJHDSA-N 3 2 315.505 3.100 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275076910 1104613565 /nfs/dbraw/zinc/61/35/65/1104613565.db2.gz HNVQSTURMFBEKK-QYZOEREBSA-N 2 2 318.509 3.248 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275076910 1104613567 /nfs/dbraw/zinc/61/35/67/1104613567.db2.gz HNVQSTURMFBEKK-QYZOEREBSA-N 2 2 318.509 3.248 20 0 DGADLP CC[NH+]1CCC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246596639 1104614760 /nfs/dbraw/zinc/61/47/60/1104614760.db2.gz QHZABOJHTUPTPJ-UHFFFAOYSA-N 3 2 307.526 3.107 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001275077401 1104615236 /nfs/dbraw/zinc/61/52/36/1104615236.db2.gz TWVZHFGXQUNPNK-SFHVURJKSA-N 2 2 318.509 3.107 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275077401 1104615239 /nfs/dbraw/zinc/61/52/39/1104615239.db2.gz TWVZHFGXQUNPNK-SFHVURJKSA-N 2 2 318.509 3.107 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246606255 1104621651 /nfs/dbraw/zinc/62/16/51/1104621651.db2.gz DJGXDZOPYOWIRK-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246606255 1104621653 /nfs/dbraw/zinc/62/16/53/1104621653.db2.gz DJGXDZOPYOWIRK-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612431 1104628254 /nfs/dbraw/zinc/62/82/54/1104628254.db2.gz WCJGZIXLWRNYSW-IBGZPJMESA-N 3 2 307.526 3.105 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612431 1104628261 /nfs/dbraw/zinc/62/82/61/1104628261.db2.gz WCJGZIXLWRNYSW-IBGZPJMESA-N 3 2 307.526 3.105 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621683 1104632920 /nfs/dbraw/zinc/63/29/20/1104632920.db2.gz PSEKRSVNGPKWJO-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621683 1104632924 /nfs/dbraw/zinc/63/29/24/1104632924.db2.gz PSEKRSVNGPKWJO-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630948 1104636000 /nfs/dbraw/zinc/63/60/00/1104636000.db2.gz MGMMLUYQGUFRRA-BBRMVZONSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630948 1104636001 /nfs/dbraw/zinc/63/60/01/1104636001.db2.gz MGMMLUYQGUFRRA-BBRMVZONSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665626 1104654435 /nfs/dbraw/zinc/65/44/35/1104654435.db2.gz RRQDAWWCDOOEMB-XNRPHZJLSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665626 1104654438 /nfs/dbraw/zinc/65/44/38/1104654438.db2.gz RRQDAWWCDOOEMB-XNRPHZJLSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717835 1104665354 /nfs/dbraw/zinc/66/53/54/1104665354.db2.gz WQCSIKQDIBEQMH-RSPOEFSDSA-N 2 2 314.473 3.166 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717835 1104665356 /nfs/dbraw/zinc/66/53/56/1104665356.db2.gz WQCSIKQDIBEQMH-RSPOEFSDSA-N 2 2 314.473 3.166 20 0 DGADLP Fc1cccc(Cl)c1CC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246825553 1104693125 /nfs/dbraw/zinc/69/31/25/1104693125.db2.gz SXUXGMABSYAZFP-CQSZACIVSA-N 2 2 310.844 3.486 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)CCO2)cc1 ZINC001246839778 1104701092 /nfs/dbraw/zinc/70/10/92/1104701092.db2.gz LYYSESUEJHMSHR-MDZRGWNJSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)CCO2)cc1 ZINC001246839778 1104701100 /nfs/dbraw/zinc/70/11/00/1104701100.db2.gz LYYSESUEJHMSHR-MDZRGWNJSA-N 2 2 302.462 3.071 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841674 1104701329 /nfs/dbraw/zinc/70/13/29/1104701329.db2.gz DCVSDTACCXZCJI-WMZOPIPTSA-N 2 2 322.880 3.418 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841674 1104701335 /nfs/dbraw/zinc/70/13/35/1104701335.db2.gz DCVSDTACCXZCJI-WMZOPIPTSA-N 2 2 322.880 3.418 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841671 1104701483 /nfs/dbraw/zinc/70/14/83/1104701483.db2.gz DCVSDTACCXZCJI-SJLPKXTDSA-N 2 2 322.880 3.418 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841671 1104701494 /nfs/dbraw/zinc/70/14/94/1104701494.db2.gz DCVSDTACCXZCJI-SJLPKXTDSA-N 2 2 322.880 3.418 20 0 DGADLP Fc1ccc(C[N@@H+]([C@@H]2CCCSC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246936231 1104743157 /nfs/dbraw/zinc/74/31/57/1104743157.db2.gz MWGFSGAGUUEOQC-DLBZAZTESA-N 2 2 308.466 3.275 20 0 DGADLP Fc1ccc(C[N@H+]([C@@H]2CCCSC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246936231 1104743161 /nfs/dbraw/zinc/74/31/61/1104743161.db2.gz MWGFSGAGUUEOQC-DLBZAZTESA-N 2 2 308.466 3.275 20 0 DGADLP CCOC(=O)C[N@H+](C1CCCC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246944222 1104746539 /nfs/dbraw/zinc/74/65/39/1104746539.db2.gz BDEYGEPWOGTRRH-KRWDZBQOSA-N 2 2 322.493 3.249 20 0 DGADLP CCOC(=O)C[N@@H+](C1CCCC1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246944222 1104746544 /nfs/dbraw/zinc/74/65/44/1104746544.db2.gz BDEYGEPWOGTRRH-KRWDZBQOSA-N 2 2 322.493 3.249 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)C2 ZINC001246963735 1104753754 /nfs/dbraw/zinc/75/37/54/1104753754.db2.gz MWOFGFWRGIPTRZ-UXHICEINSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)C2 ZINC001246963735 1104753757 /nfs/dbraw/zinc/75/37/57/1104753757.db2.gz MWOFGFWRGIPTRZ-UXHICEINSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)C2 ZINC001246963741 1104754240 /nfs/dbraw/zinc/75/42/40/1104754240.db2.gz MWOFGFWRGIPTRZ-WOJBJXKFSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)C2 ZINC001246963741 1104754248 /nfs/dbraw/zinc/75/42/48/1104754248.db2.gz MWOFGFWRGIPTRZ-WOJBJXKFSA-N 2 2 321.468 3.111 20 0 DGADLP C1C[C@H]([N@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246979180 1104761577 /nfs/dbraw/zinc/76/15/77/1104761577.db2.gz NZOKTSDSIHPMGX-IBGZPJMESA-N 3 2 319.537 3.295 20 0 DGADLP C1C[C@H]([N@@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246979180 1104761582 /nfs/dbraw/zinc/76/15/82/1104761582.db2.gz NZOKTSDSIHPMGX-IBGZPJMESA-N 3 2 319.537 3.295 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)C2C[C@H](CC)[NH2+][C@@H](CC)C2)CC1 ZINC001246994363 1104767917 /nfs/dbraw/zinc/76/79/17/1104767917.db2.gz PGWRYPQPIKCKOV-IRXDYDNUSA-N 3 2 309.542 3.492 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)C2C[C@H](CC)[NH2+][C@@H](CC)C2)CC1 ZINC001246994363 1104767923 /nfs/dbraw/zinc/76/79/23/1104767923.db2.gz PGWRYPQPIKCKOV-IRXDYDNUSA-N 3 2 309.542 3.492 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998406 1104770261 /nfs/dbraw/zinc/77/02/61/1104770261.db2.gz FYKRQHAZAOWFNU-SJORKVTESA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998406 1104770265 /nfs/dbraw/zinc/77/02/65/1104770265.db2.gz FYKRQHAZAOWFNU-SJORKVTESA-N 2 2 302.462 3.405 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001496 1104771156 /nfs/dbraw/zinc/77/11/56/1104771156.db2.gz IPNSPWYXRLMQQB-SGMGOOAPSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001496 1104771159 /nfs/dbraw/zinc/77/11/59/1104771159.db2.gz IPNSPWYXRLMQQB-SGMGOOAPSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002257 1104772397 /nfs/dbraw/zinc/77/23/97/1104772397.db2.gz SRXYVVNRGOCPFA-DJIMGWMZSA-N 2 2 302.462 3.404 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002257 1104772403 /nfs/dbraw/zinc/77/24/03/1104772403.db2.gz SRXYVVNRGOCPFA-DJIMGWMZSA-N 2 2 302.462 3.404 20 0 DGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007571 1104774305 /nfs/dbraw/zinc/77/43/05/1104774305.db2.gz YJXCJIFVVDRMLF-QAPCUYQASA-N 2 2 319.468 3.035 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012211 1104776843 /nfs/dbraw/zinc/77/68/43/1104776843.db2.gz CWQKAYUTJHTHDD-IIYDPXPESA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012211 1104776848 /nfs/dbraw/zinc/77/68/48/1104776848.db2.gz CWQKAYUTJHTHDD-IIYDPXPESA-N 2 2 310.844 3.484 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc(OC)c1 ZINC001275815374 1104918796 /nfs/dbraw/zinc/91/87/96/1104918796.db2.gz UUGCMMFVILKTFJ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc(OC)c1 ZINC001275815374 1104918798 /nfs/dbraw/zinc/91/87/98/1104918798.db2.gz UUGCMMFVILKTFJ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc(OC)c1 ZINC001275815374 1104918800 /nfs/dbraw/zinc/91/88/00/1104918800.db2.gz UUGCMMFVILKTFJ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC001275815374 1104918803 /nfs/dbraw/zinc/91/88/03/1104918803.db2.gz UUGCMMFVILKTFJ-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCCCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275858941 1104935535 /nfs/dbraw/zinc/93/55/35/1104935535.db2.gz SLACCWLVDUTGPW-AWEZNQCLSA-N 2 2 316.449 3.193 20 0 DGADLP CCCCCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275858941 1104935545 /nfs/dbraw/zinc/93/55/45/1104935545.db2.gz SLACCWLVDUTGPW-AWEZNQCLSA-N 2 2 316.449 3.193 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275898715 1104947954 /nfs/dbraw/zinc/94/79/54/1104947954.db2.gz HHBJJFBVNPOGKY-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275898715 1104947956 /nfs/dbraw/zinc/94/79/56/1104947956.db2.gz HHBJJFBVNPOGKY-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)ccc1O ZINC001275898715 1104947961 /nfs/dbraw/zinc/94/79/61/1104947961.db2.gz HHBJJFBVNPOGKY-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)ccc1O ZINC001275898715 1104947964 /nfs/dbraw/zinc/94/79/64/1104947964.db2.gz HHBJJFBVNPOGKY-IBGZPJMESA-N 2 2 318.461 3.099 20 0 DGADLP CC(C)c1ccc(-c2noc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)cc1 ZINC001247702015 1104959776 /nfs/dbraw/zinc/95/97/76/1104959776.db2.gz UVRUUZMZVVMYPL-QGZVFWFLSA-N 2 2 322.412 3.486 20 0 DGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001276032465 1104992039 /nfs/dbraw/zinc/99/20/39/1104992039.db2.gz NPPBDYFQCAJONT-HZPDHXFCSA-N 2 2 324.472 3.117 20 0 DGADLP C[C@H](c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)[NH+]1CCCC1 ZINC001248123185 1105048196 /nfs/dbraw/zinc/04/81/96/1105048196.db2.gz SUMQFVPBVZWQTQ-CYBMUJFWSA-N 2 2 309.373 3.079 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(C(C)(C)C)c[nH]2)CC1 ZINC001249480315 1105295580 /nfs/dbraw/zinc/29/55/80/1105295580.db2.gz NXVAVJAPLQCAIS-UHFFFAOYSA-N 2 2 312.461 3.338 20 0 DGADLP c1cn(-c2ccc(NC3=CC[C@@H]([NH+]4CCOCC4)CC3)cc2)c[nH+]1 ZINC001249557063 1105313355 /nfs/dbraw/zinc/31/33/55/1105313355.db2.gz UQRSDUIOCAPTRG-GOSISDBHSA-N 2 2 324.428 3.053 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3ccc(C)cn23)CC1 ZINC001137312198 1105478697 /nfs/dbraw/zinc/47/86/97/1105478697.db2.gz LJALPYNORKPTQF-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3ccc(C)cn23)CC1 ZINC001137312198 1105478698 /nfs/dbraw/zinc/47/86/98/1105478698.db2.gz LJALPYNORKPTQF-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CCOc1cc2[nH]c(CC3CC[NH+](C)CC3)[nH+]c2cc1OCC ZINC001250552754 1105536689 /nfs/dbraw/zinc/53/66/89/1105536689.db2.gz LVGMIVGLYBKVRX-UHFFFAOYSA-N 2 2 317.433 3.245 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001253189073 1105900352 /nfs/dbraw/zinc/90/03/52/1105900352.db2.gz FOGACYXGVVUCDV-QFBILLFUSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001253189073 1105900357 /nfs/dbraw/zinc/90/03/57/1105900357.db2.gz FOGACYXGVVUCDV-QFBILLFUSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001253202771 1105902934 /nfs/dbraw/zinc/90/29/34/1105902934.db2.gz NIXHDRUGZGVIET-AAEUAGOBSA-N 2 2 319.276 3.347 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1F ZINC001253210409 1105903716 /nfs/dbraw/zinc/90/37/16/1105903716.db2.gz MMIQFPBUSXVPBC-CRAIPNDOSA-N 2 2 310.457 3.205 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC001253410326 1105936006 /nfs/dbraw/zinc/93/60/06/1105936006.db2.gz GPVFGSGBWGSPQC-CYBMUJFWSA-N 2 2 310.869 3.058 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnn3ccccc23)[nH+]1 ZINC001254019095 1106010065 /nfs/dbraw/zinc/01/00/65/1106010065.db2.gz QTBVNHVGEWGOOQ-KRWDZBQOSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnn3ccccc23)[nH+]1 ZINC001254019095 1106010074 /nfs/dbraw/zinc/01/00/74/1106010074.db2.gz QTBVNHVGEWGOOQ-KRWDZBQOSA-N 2 2 321.428 3.114 20 0 DGADLP Fc1ccc(CC[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC001254329938 1106055499 /nfs/dbraw/zinc/05/54/99/1106055499.db2.gz ZRNAHEJXFCKXAA-UHFFFAOYSA-N 2 2 322.493 3.319 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516296 1106091555 /nfs/dbraw/zinc/09/15/55/1106091555.db2.gz LRCWKPVBONUXPD-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516296 1106091559 /nfs/dbraw/zinc/09/15/59/1106091559.db2.gz LRCWKPVBONUXPD-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516296 1106091563 /nfs/dbraw/zinc/09/15/63/1106091563.db2.gz LRCWKPVBONUXPD-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516296 1106091568 /nfs/dbraw/zinc/09/15/68/1106091568.db2.gz LRCWKPVBONUXPD-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254533572 1106096891 /nfs/dbraw/zinc/09/68/91/1106096891.db2.gz MQQPXVDFWUZROC-KRWDZBQOSA-N 3 2 307.526 3.200 20 0 DGADLP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254533572 1106096896 /nfs/dbraw/zinc/09/68/96/1106096896.db2.gz MQQPXVDFWUZROC-KRWDZBQOSA-N 3 2 307.526 3.200 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254533572 1106096902 /nfs/dbraw/zinc/09/69/02/1106096902.db2.gz MQQPXVDFWUZROC-KRWDZBQOSA-N 3 2 307.526 3.200 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254533572 1106096905 /nfs/dbraw/zinc/09/69/05/1106096905.db2.gz MQQPXVDFWUZROC-KRWDZBQOSA-N 3 2 307.526 3.200 20 0 DGADLP CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254842753 1106146855 /nfs/dbraw/zinc/14/68/55/1106146855.db2.gz GJYGDLADNREGBA-DLBZAZTESA-N 2 2 324.509 3.207 20 0 DGADLP OCC[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254840891 1106146989 /nfs/dbraw/zinc/14/69/89/1106146989.db2.gz PTSJYNZPWIPIGG-WIYYLYMNSA-N 2 2 324.468 3.337 20 0 DGADLP COc1ccc2cccc(CC[NH2+][C@H]3CC4CC[NH+](CC4)C3)c2c1 ZINC001254841814 1106147144 /nfs/dbraw/zinc/14/71/44/1106147144.db2.gz BKIVZCAKAUEXKK-IBGZPJMESA-N 2 2 324.468 3.465 20 0 DGADLP Fc1ccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCC2)cc1 ZINC001254845522 1106148079 /nfs/dbraw/zinc/14/80/79/1106148079.db2.gz PQRAGGYZGYWFNG-GOSISDBHSA-N 2 2 302.437 3.365 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254848364 1106148087 /nfs/dbraw/zinc/14/80/87/1106148087.db2.gz PFJKFHRNSQUKHO-MSOLQXFVSA-N 2 2 304.865 3.271 20 0 DGADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254849921 1106148929 /nfs/dbraw/zinc/14/89/29/1106148929.db2.gz ZLELFEQZABBUKR-YMAMQOFZSA-N 2 2 304.400 3.429 20 0 DGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+]C2Cc3ccccc3C2)cc1 ZINC001255016126 1106166020 /nfs/dbraw/zinc/16/60/20/1106166020.db2.gz NIVHWAAKFTZMDZ-QFIPXVFZSA-N 2 2 320.480 3.451 20 0 DGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+]C2CCSCC2)cc1 ZINC001255082202 1106174917 /nfs/dbraw/zinc/17/49/17/1106174917.db2.gz WMQFBTSGYNGPTL-SFHVURJKSA-N 2 2 304.503 3.179 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC001255275235 1106214292 /nfs/dbraw/zinc/21/42/92/1106214292.db2.gz UFMQQRUNIYMNSZ-QGZVFWFLSA-N 2 2 308.466 3.194 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404529 1106245191 /nfs/dbraw/zinc/24/51/91/1106245191.db2.gz JROMYSQYSUQBMA-WSTZPKSXSA-N 2 2 315.505 3.066 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404529 1106245196 /nfs/dbraw/zinc/24/51/96/1106245196.db2.gz JROMYSQYSUQBMA-WSTZPKSXSA-N 2 2 315.505 3.066 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404529 1106245198 /nfs/dbraw/zinc/24/51/98/1106245198.db2.gz JROMYSQYSUQBMA-WSTZPKSXSA-N 2 2 315.505 3.066 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H](C)N1C ZINC001255404529 1106245203 /nfs/dbraw/zinc/24/52/03/1106245203.db2.gz JROMYSQYSUQBMA-WSTZPKSXSA-N 2 2 315.505 3.066 20 0 DGADLP CC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408734 1106246145 /nfs/dbraw/zinc/24/61/45/1106246145.db2.gz PTRDGZZSKMLSJU-WOJBJXKFSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408734 1106246150 /nfs/dbraw/zinc/24/61/50/1106246150.db2.gz PTRDGZZSKMLSJU-WOJBJXKFSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408734 1106246155 /nfs/dbraw/zinc/24/61/55/1106246155.db2.gz PTRDGZZSKMLSJU-WOJBJXKFSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408734 1106246158 /nfs/dbraw/zinc/24/61/58/1106246158.db2.gz PTRDGZZSKMLSJU-WOJBJXKFSA-N 2 2 314.473 3.485 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408688 1106246879 /nfs/dbraw/zinc/24/68/79/1106246879.db2.gz PHKLLWIJFDAROJ-FQEVSTJZSA-N 2 2 321.468 3.494 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408688 1106246884 /nfs/dbraw/zinc/24/68/84/1106246884.db2.gz PHKLLWIJFDAROJ-FQEVSTJZSA-N 2 2 321.468 3.494 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408688 1106246890 /nfs/dbraw/zinc/24/68/90/1106246890.db2.gz PHKLLWIJFDAROJ-FQEVSTJZSA-N 2 2 321.468 3.494 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408688 1106246893 /nfs/dbraw/zinc/24/68/93/1106246893.db2.gz PHKLLWIJFDAROJ-FQEVSTJZSA-N 2 2 321.468 3.494 20 0 DGADLP Cc1cccc(N2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001255674732 1106292060 /nfs/dbraw/zinc/29/20/60/1106292060.db2.gz UCGBKKNZCGQADR-UFRUDQCGSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1cccc(N2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001255674732 1106292063 /nfs/dbraw/zinc/29/20/63/1106292063.db2.gz UCGBKKNZCGQADR-UFRUDQCGSA-N 2 2 313.489 3.132 20 0 DGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711637 1106299740 /nfs/dbraw/zinc/29/97/40/1106299740.db2.gz DIJLPSBPNVSBAC-HIFRSBDPSA-N 2 2 322.415 3.150 20 0 DGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711637 1106299741 /nfs/dbraw/zinc/29/97/41/1106299741.db2.gz DIJLPSBPNVSBAC-HIFRSBDPSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C1CCCCCC1)C2 ZINC001255891003 1106340006 /nfs/dbraw/zinc/34/00/06/1106340006.db2.gz MEGGQRJRTHEHMS-UHFFFAOYSA-N 2 2 319.497 3.047 20 0 DGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C1CCCCCC1)C2 ZINC001255891003 1106340010 /nfs/dbraw/zinc/34/00/10/1106340010.db2.gz MEGGQRJRTHEHMS-UHFFFAOYSA-N 2 2 319.497 3.047 20 0 DGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C1CCCCCC1)C2 ZINC001255891003 1106340015 /nfs/dbraw/zinc/34/00/15/1106340015.db2.gz MEGGQRJRTHEHMS-UHFFFAOYSA-N 2 2 319.497 3.047 20 0 DGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C1CCCCCC1)C2 ZINC001255891003 1106340017 /nfs/dbraw/zinc/34/00/17/1106340017.db2.gz MEGGQRJRTHEHMS-UHFFFAOYSA-N 2 2 319.497 3.047 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC001255955956 1106350126 /nfs/dbraw/zinc/35/01/26/1106350126.db2.gz XXFZIBDOAHRBSD-GOSISDBHSA-N 2 2 303.494 3.237 20 0 DGADLP C[NH+]1CCC(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001256194872 1106388833 /nfs/dbraw/zinc/38/88/33/1106388833.db2.gz RKRTWUNKHSTMPO-SFHVURJKSA-N 2 2 321.896 3.161 20 0 DGADLP C[NH+]1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001256194872 1106388836 /nfs/dbraw/zinc/38/88/36/1106388836.db2.gz RKRTWUNKHSTMPO-SFHVURJKSA-N 2 2 321.896 3.161 20 0 DGADLP COc1cccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)c1 ZINC001256199668 1106390354 /nfs/dbraw/zinc/39/03/54/1106390354.db2.gz GNFRPLJIFUGEQK-FQEVSTJZSA-N 2 2 310.441 3.468 20 0 DGADLP C[NH+]1CCC([N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC1 ZINC001256210473 1106390683 /nfs/dbraw/zinc/39/06/83/1106390683.db2.gz IYMHXACXXOFPFQ-PVAVHDDUSA-N 2 2 322.493 3.055 20 0 DGADLP C[NH+]1CCC([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)CC1 ZINC001256210473 1106390688 /nfs/dbraw/zinc/39/06/88/1106390688.db2.gz IYMHXACXXOFPFQ-PVAVHDDUSA-N 2 2 322.493 3.055 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001256215708 1106391922 /nfs/dbraw/zinc/39/19/22/1106391922.db2.gz RAQZWHZCTQOUID-ZDUSSCGKSA-N 2 2 322.250 3.257 20 0 DGADLP Cc1[nH+]cn(C2CCN(c3ccc(Cl)cc3)CC2)c1CC[NH3+] ZINC001256299847 1106401935 /nfs/dbraw/zinc/40/19/35/1106401935.db2.gz GDYSSRRCMKAACM-UHFFFAOYSA-N 2 2 318.852 3.188 20 0 DGADLP CC(C)CC[C@@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256365115 1106409936 /nfs/dbraw/zinc/40/99/36/1106409936.db2.gz ZJGOVHQNWOPJDU-CQSZACIVSA-N 2 2 302.422 3.102 20 0 DGADLP CC(C)CC[C@@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256365115 1106409938 /nfs/dbraw/zinc/40/99/38/1106409938.db2.gz ZJGOVHQNWOPJDU-CQSZACIVSA-N 2 2 302.422 3.102 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522168 1106432899 /nfs/dbraw/zinc/43/28/99/1106432899.db2.gz DZYMHBKFAQDFSB-PKOBYXMFSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522168 1106432903 /nfs/dbraw/zinc/43/29/03/1106432903.db2.gz DZYMHBKFAQDFSB-PKOBYXMFSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522168 1106432906 /nfs/dbraw/zinc/43/29/06/1106432906.db2.gz DZYMHBKFAQDFSB-PKOBYXMFSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522168 1106432910 /nfs/dbraw/zinc/43/29/10/1106432910.db2.gz DZYMHBKFAQDFSB-PKOBYXMFSA-N 3 2 303.494 3.100 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522964 1106433636 /nfs/dbraw/zinc/43/36/36/1106433636.db2.gz LAOLGBMGLCMZQY-MJGOQNOKSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522964 1106433638 /nfs/dbraw/zinc/43/36/38/1106433638.db2.gz LAOLGBMGLCMZQY-MJGOQNOKSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522964 1106433639 /nfs/dbraw/zinc/43/36/39/1106433639.db2.gz LAOLGBMGLCMZQY-MJGOQNOKSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522964 1106433640 /nfs/dbraw/zinc/43/36/40/1106433640.db2.gz LAOLGBMGLCMZQY-MJGOQNOKSA-N 3 2 303.494 3.099 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256529703 1106435597 /nfs/dbraw/zinc/43/55/97/1106435597.db2.gz WGWZKYDQWXLZTD-NJAFHUGGSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256529703 1106435600 /nfs/dbraw/zinc/43/56/00/1106435600.db2.gz WGWZKYDQWXLZTD-NJAFHUGGSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001256537559 1106438537 /nfs/dbraw/zinc/43/85/37/1106438537.db2.gz ODKFDRBKZZFUBP-FUHWJXTLSA-N 3 2 312.461 3.000 20 0 DGADLP C[C@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256537559 1106438540 /nfs/dbraw/zinc/43/85/40/1106438540.db2.gz ODKFDRBKZZFUBP-FUHWJXTLSA-N 3 2 312.461 3.000 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cncc(C(F)(F)F)c2)CC1 ZINC001256564326 1106445771 /nfs/dbraw/zinc/44/57/71/1106445771.db2.gz WVQDFVSMGRRVGG-UHFFFAOYSA-N 2 2 315.383 3.453 20 0 DGADLP CC(C)(F)c1ncncc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256564086 1106445838 /nfs/dbraw/zinc/44/58/38/1106445838.db2.gz QTGKALYIKKIYRV-UHFFFAOYSA-N 2 2 308.445 3.034 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577413 1106449210 /nfs/dbraw/zinc/44/92/10/1106449210.db2.gz LNHRRXGNUHNLCU-UHFFFAOYSA-N 2 2 304.434 3.110 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577413 1106449213 /nfs/dbraw/zinc/44/92/13/1106449213.db2.gz LNHRRXGNUHNLCU-UHFFFAOYSA-N 2 2 304.434 3.110 20 0 DGADLP COc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001256653119 1106463401 /nfs/dbraw/zinc/46/34/01/1106463401.db2.gz AJTYKUZDHAYDSG-HZPDHXFCSA-N 2 2 311.429 3.089 20 0 DGADLP c1cn(C2CC[NH+]([C@H]3CCO[C@@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001256818773 1106490001 /nfs/dbraw/zinc/49/00/01/1106490001.db2.gz AROIAWNCOFITNJ-RBUKOAKNSA-N 2 2 311.429 3.440 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001257397686 1106580998 /nfs/dbraw/zinc/58/09/98/1106580998.db2.gz ACYGKXSTROXMTK-HUUCEWRRSA-N 2 2 307.438 3.035 20 0 DGADLP CC(C)OC1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001257885510 1106640356 /nfs/dbraw/zinc/64/03/56/1106640356.db2.gz MSMYOIJOMXCKEL-UHFFFAOYSA-N 2 2 317.477 3.376 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOc3cc(F)ccc32)CC1 ZINC001258004233 1106656632 /nfs/dbraw/zinc/65/66/32/1106656632.db2.gz FLSXHKZWOKLBID-QGZVFWFLSA-N 2 2 306.425 3.359 20 0 DGADLP COc1ncccc1[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC001258007354 1106656764 /nfs/dbraw/zinc/65/67/64/1106656764.db2.gz CPWUFUHVPSLLBE-GOSISDBHSA-N 2 2 317.477 3.251 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001258008392 1106657238 /nfs/dbraw/zinc/65/72/38/1106657238.db2.gz QEJTYLNKEJHTRM-UHFFFAOYSA-N 3 2 321.553 3.351 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+](C)CCC(=O)c2cccs2)CC1 ZINC001258018180 1106659485 /nfs/dbraw/zinc/65/94/85/1106659485.db2.gz VSJOIQDUWKMYLH-UHFFFAOYSA-N 2 2 308.491 3.373 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+](C)CCC(=O)c2cccs2)CC1 ZINC001258018180 1106659488 /nfs/dbraw/zinc/65/94/88/1106659488.db2.gz VSJOIQDUWKMYLH-UHFFFAOYSA-N 2 2 308.491 3.373 20 0 DGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258056523 1106665708 /nfs/dbraw/zinc/66/57/08/1106665708.db2.gz AIVIWSUZHXUKPT-HNJRGHQBSA-N 2 2 317.521 3.249 20 0 DGADLP CC(C)[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC001258148806 1106681242 /nfs/dbraw/zinc/68/12/42/1106681242.db2.gz UBWDIFQAXLJXCN-FQEVSTJZSA-N 2 2 316.489 3.050 20 0 DGADLP CC(C)[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC001258148806 1106681244 /nfs/dbraw/zinc/68/12/44/1106681244.db2.gz UBWDIFQAXLJXCN-FQEVSTJZSA-N 2 2 316.489 3.050 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258165273 1106684189 /nfs/dbraw/zinc/68/41/89/1106684189.db2.gz MVTXTIVJZWXGCB-MCWQTJMBSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258165273 1106684193 /nfs/dbraw/zinc/68/41/93/1106684193.db2.gz MVTXTIVJZWXGCB-MCWQTJMBSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258165273 1106684198 /nfs/dbraw/zinc/68/41/98/1106684198.db2.gz MVTXTIVJZWXGCB-MCWQTJMBSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258165273 1106684200 /nfs/dbraw/zinc/68/42/00/1106684200.db2.gz MVTXTIVJZWXGCB-MCWQTJMBSA-N 2 2 313.489 3.270 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CCSC ZINC001258213576 1106697865 /nfs/dbraw/zinc/69/78/65/1106697865.db2.gz SKPHMXWXBGTFSC-KBAYOESNSA-N 2 2 322.518 3.007 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CCSC ZINC001258213576 1106697869 /nfs/dbraw/zinc/69/78/69/1106697869.db2.gz SKPHMXWXBGTFSC-KBAYOESNSA-N 2 2 322.518 3.007 20 0 DGADLP Cc1cc(N2CC[NH+]([C@H]3CCCC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001258292532 1106711150 /nfs/dbraw/zinc/71/11/50/1106711150.db2.gz VYALCHPHCXZGSV-INIZCTEOSA-N 2 2 302.466 3.184 20 0 DGADLP CC[N@H+]([C@@H](C)CCc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001258403045 1106731667 /nfs/dbraw/zinc/73/16/67/1106731667.db2.gz GIVABTQYYNIPBK-INIZCTEOSA-N 2 2 304.478 3.432 20 0 DGADLP CC[N@@H+]([C@@H](C)CCc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001258403045 1106731673 /nfs/dbraw/zinc/73/16/73/1106731673.db2.gz GIVABTQYYNIPBK-INIZCTEOSA-N 2 2 304.478 3.432 20 0 DGADLP CCCCC[C@@H](CC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258435935 1106745144 /nfs/dbraw/zinc/74/51/44/1106745144.db2.gz GHJNTGZPPDCNKV-QYZOEREBSA-N 2 2 303.494 3.147 20 0 DGADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001320053964 1106824169 /nfs/dbraw/zinc/82/41/69/1106824169.db2.gz CQYRGULXHDEZHI-INIZCTEOSA-N 2 2 322.497 3.051 20 0 DGADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001320053964 1106824176 /nfs/dbraw/zinc/82/41/76/1106824176.db2.gz CQYRGULXHDEZHI-INIZCTEOSA-N 2 2 322.497 3.051 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC001258768362 1106963572 /nfs/dbraw/zinc/96/35/72/1106963572.db2.gz LBMZLGJBGCDOTC-GOSISDBHSA-N 2 2 318.461 3.145 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC001258768363 1106963722 /nfs/dbraw/zinc/96/37/22/1106963722.db2.gz LBMZLGJBGCDOTC-SFHVURJKSA-N 2 2 318.461 3.145 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cn2)C2CC2)CC1 ZINC001258770417 1106964333 /nfs/dbraw/zinc/96/43/33/1106964333.db2.gz LEFWHBHEETUHPS-GOSISDBHSA-N 2 2 303.450 3.005 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cn2)C2CC2)CC1 ZINC001258770418 1106965060 /nfs/dbraw/zinc/96/50/60/1106965060.db2.gz LEFWHBHEETUHPS-SFHVURJKSA-N 2 2 303.450 3.005 20 0 DGADLP CC[C@@H](C)C[C@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790130 1106977873 /nfs/dbraw/zinc/97/78/73/1106977873.db2.gz IQWBIPYYCLUIFU-CABCVRRESA-N 2 2 316.449 3.492 20 0 DGADLP CC[C@@H](C)C[C@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790130 1106977881 /nfs/dbraw/zinc/97/78/81/1106977881.db2.gz IQWBIPYYCLUIFU-CABCVRRESA-N 2 2 316.449 3.492 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(Cl)c1 ZINC001321819178 1107440841 /nfs/dbraw/zinc/44/08/41/1107440841.db2.gz OTBGVTZNCVZMIQ-UHFFFAOYSA-N 2 2 312.760 3.481 20 0 DGADLP CC[NH+](CC)C1CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC001262355884 1107687540 /nfs/dbraw/zinc/68/75/40/1107687540.db2.gz LFGUSFQJTILCFP-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520213 1107996251 /nfs/dbraw/zinc/99/62/51/1107996251.db2.gz JTHLCPVTWOOJIT-WMLDXEAASA-N 2 2 306.425 3.061 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520213 1107996262 /nfs/dbraw/zinc/99/62/62/1107996262.db2.gz JTHLCPVTWOOJIT-WMLDXEAASA-N 2 2 306.425 3.061 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520213 1107996272 /nfs/dbraw/zinc/99/62/72/1107996272.db2.gz JTHLCPVTWOOJIT-WMLDXEAASA-N 2 2 306.425 3.061 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520213 1107996278 /nfs/dbraw/zinc/99/62/78/1107996278.db2.gz JTHLCPVTWOOJIT-WMLDXEAASA-N 2 2 306.425 3.061 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)sc2C1 ZINC001324456059 1108296982 /nfs/dbraw/zinc/29/69/82/1108296982.db2.gz NKSFSZMCETWXIU-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)sc2C1 ZINC001324456059 1108296992 /nfs/dbraw/zinc/29/69/92/1108296992.db2.gz NKSFSZMCETWXIU-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)sc2C1 ZINC001324456059 1108297000 /nfs/dbraw/zinc/29/70/00/1108297000.db2.gz NKSFSZMCETWXIU-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)sc2C1 ZINC001324456059 1108297012 /nfs/dbraw/zinc/29/70/12/1108297012.db2.gz NKSFSZMCETWXIU-FMKPAKJESA-N 2 2 319.518 3.184 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccsc2Br)C1 ZINC000388906181 1108600383 /nfs/dbraw/zinc/60/03/83/1108600383.db2.gz YKOHRRGBKKXDKI-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccsc2Br)C1 ZINC000388906181 1108600389 /nfs/dbraw/zinc/60/03/89/1108600389.db2.gz YKOHRRGBKKXDKI-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP COCc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319947694 1108709620 /nfs/dbraw/zinc/70/96/20/1108709620.db2.gz BJZSZVRQRRVWLL-HNNXBMFYSA-N 2 2 315.417 3.206 20 0 DGADLP COCc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319947694 1108709632 /nfs/dbraw/zinc/70/96/32/1108709632.db2.gz BJZSZVRQRRVWLL-HNNXBMFYSA-N 2 2 315.417 3.206 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC3CCC(C)(C)CC3)CC2)c1 ZINC001307461696 1111302176 /nfs/dbraw/zinc/30/21/76/1111302176.db2.gz NURFQRQCRZHFPX-UHFFFAOYSA-N 2 2 317.477 3.429 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001308165540 1111388389 /nfs/dbraw/zinc/38/83/89/1111388389.db2.gz OOSRGYLVCNVFDB-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001308165540 1111388391 /nfs/dbraw/zinc/38/83/91/1111388391.db2.gz OOSRGYLVCNVFDB-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC001308166700 1111388709 /nfs/dbraw/zinc/38/87/09/1111388709.db2.gz KGMJPAFSCKYMDB-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1ccnc(OC)c1F)C1CCCCC1 ZINC001308455355 1111430582 /nfs/dbraw/zinc/43/05/82/1111430582.db2.gz HYSFAOWHPYURSS-UHFFFAOYSA-N 2 2 323.456 3.364 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1ccnc(OC)c1F)C1CCCCC1 ZINC001308455355 1111430585 /nfs/dbraw/zinc/43/05/85/1111430585.db2.gz HYSFAOWHPYURSS-UHFFFAOYSA-N 2 2 323.456 3.364 20 0 DGADLP C[C@@H]1Cc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc2O1 ZINC001308660285 1111457602 /nfs/dbraw/zinc/45/76/02/1111457602.db2.gz KLXUWIPXVRKXQZ-MRXNPFEDSA-N 2 2 314.473 3.460 20 0 DGADLP COc1ccc([C@@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278389342 214136535 /nfs/dbraw/zinc/13/65/35/214136535.db2.gz MKDVCJWFMILTER-CRAIPNDOSA-N 2 2 320.502 3.175 20 0 DGADLP CN(c1ccc([NH2+]C[C@H]2CCSC2)cc1)C1CC[NH+](C)CC1 ZINC000278541699 214224112 /nfs/dbraw/zinc/22/41/12/214224112.db2.gz TYSCSPJZPXEDEA-OAHLLOKOSA-N 2 2 319.518 3.382 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(Br)cs1)Cn1cc[nH+]c1 ZINC000062254490 432003300 /nfs/dbraw/zinc/00/33/00/432003300.db2.gz YMHNVROROFDORF-JTQLQIEISA-N 2 2 314.252 3.133 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000305168931 230971774 /nfs/dbraw/zinc/97/17/74/230971774.db2.gz ZEUYUOHPUNHBAA-QWHCGFSZSA-N 2 2 316.898 3.145 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278691680 214330268 /nfs/dbraw/zinc/33/02/68/214330268.db2.gz OQKFLIDCXYQDII-GOSISDBHSA-N 2 2 323.396 3.439 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278691680 214330271 /nfs/dbraw/zinc/33/02/71/214330271.db2.gz OQKFLIDCXYQDII-GOSISDBHSA-N 2 2 323.396 3.439 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278691685 214331528 /nfs/dbraw/zinc/33/15/28/214331528.db2.gz OQKFLIDCXYQDII-SFHVURJKSA-N 2 2 323.396 3.439 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278691685 214331531 /nfs/dbraw/zinc/33/15/31/214331531.db2.gz OQKFLIDCXYQDII-SFHVURJKSA-N 2 2 323.396 3.439 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000278712118 214346781 /nfs/dbraw/zinc/34/67/81/214346781.db2.gz OQZGOLWPCJIHBT-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP COCc1ccc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000309911498 231106351 /nfs/dbraw/zinc/10/63/51/231106351.db2.gz SAVFXYHYPKHRRH-KRWDZBQOSA-N 2 2 312.457 3.443 20 0 DGADLP COCc1ccc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000309911498 231106355 /nfs/dbraw/zinc/10/63/55/231106355.db2.gz SAVFXYHYPKHRRH-KRWDZBQOSA-N 2 2 312.457 3.443 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000322950341 231213935 /nfs/dbraw/zinc/21/39/35/231213935.db2.gz SNHWLNNFVYSASN-NSHGMRRFSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000322950341 231213938 /nfs/dbraw/zinc/21/39/38/231213938.db2.gz SNHWLNNFVYSASN-NSHGMRRFSA-N 2 2 307.441 3.387 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1 ZINC000321567273 231204183 /nfs/dbraw/zinc/20/41/83/231204183.db2.gz IKKZFEQQVUWGEN-YSSFQJQWSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1 ZINC000321567273 231204186 /nfs/dbraw/zinc/20/41/86/231204186.db2.gz IKKZFEQQVUWGEN-YSSFQJQWSA-N 2 2 310.441 3.354 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423475739 529454032 /nfs/dbraw/zinc/45/40/32/529454032.db2.gz RYXUXLGZZLECKX-DOMZBBRYSA-N 2 2 303.475 3.430 20 0 DGADLP CCc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302032217 529532807 /nfs/dbraw/zinc/53/28/07/529532807.db2.gz CMMMRVFIXJAOFL-DOTOQJQBSA-N 2 2 316.493 3.438 20 0 DGADLP CCc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302032217 529532809 /nfs/dbraw/zinc/53/28/09/529532809.db2.gz CMMMRVFIXJAOFL-DOTOQJQBSA-N 2 2 316.493 3.438 20 0 DGADLP CCc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C)[nH+]1 ZINC000302073356 529531901 /nfs/dbraw/zinc/53/19/01/529531901.db2.gz ZWJGJMIMNGARRS-KRWDZBQOSA-N 2 2 316.493 3.440 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000415068644 529611451 /nfs/dbraw/zinc/61/14/51/529611451.db2.gz RNEFYXSESGLLRQ-SFHVURJKSA-N 2 2 321.424 3.292 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000270695189 282207075 /nfs/dbraw/zinc/20/70/75/282207075.db2.gz YXHYQLVUVVLYQH-WMLDXEAASA-N 2 2 301.459 3.370 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000270695189 282207076 /nfs/dbraw/zinc/20/70/76/282207076.db2.gz YXHYQLVUVVLYQH-WMLDXEAASA-N 2 2 301.459 3.370 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000415071552 529617154 /nfs/dbraw/zinc/61/71/54/529617154.db2.gz WNIDAWJQVISGGY-QGZVFWFLSA-N 2 2 314.477 3.070 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090524809 185300416 /nfs/dbraw/zinc/30/04/16/185300416.db2.gz WEOQUZKAVCRAAS-QGTPRVQTSA-N 2 2 320.477 3.261 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n[nH]1 ZINC000090530642 185300664 /nfs/dbraw/zinc/30/06/64/185300664.db2.gz CSRHDSQFPKBPRR-HIFRSBDPSA-N 2 2 323.444 3.494 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000090400952 185294339 /nfs/dbraw/zinc/29/43/39/185294339.db2.gz VBAFHNZBZZJDKX-UKRRQHHQSA-N 2 2 316.474 3.025 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000090400952 185294340 /nfs/dbraw/zinc/29/43/40/185294340.db2.gz VBAFHNZBZZJDKX-UKRRQHHQSA-N 2 2 316.474 3.025 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428321738 529725559 /nfs/dbraw/zinc/72/55/59/529725559.db2.gz FRCDUXGCRMIDGL-UKRRQHHQSA-N 2 2 305.466 3.288 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428321738 529725560 /nfs/dbraw/zinc/72/55/60/529725560.db2.gz FRCDUXGCRMIDGL-UKRRQHHQSA-N 2 2 305.466 3.288 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CC3CCCC3)c2cc1C ZINC000064021526 432007652 /nfs/dbraw/zinc/00/76/52/432007652.db2.gz NJMJYLDGIJOODC-QGZVFWFLSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CC3CCCC3)c2cc1C ZINC000064021526 432007653 /nfs/dbraw/zinc/00/76/53/432007653.db2.gz NJMJYLDGIJOODC-QGZVFWFLSA-N 2 2 315.461 3.136 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894040 529811420 /nfs/dbraw/zinc/81/14/20/529811420.db2.gz ZJGHMZGAVVHQNX-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894040 529811421 /nfs/dbraw/zinc/81/14/21/529811421.db2.gz ZJGHMZGAVVHQNX-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894040 529811422 /nfs/dbraw/zinc/81/14/22/529811422.db2.gz ZJGHMZGAVVHQNX-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894040 529811423 /nfs/dbraw/zinc/81/14/23/529811423.db2.gz ZJGHMZGAVVHQNX-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124147 529811592 /nfs/dbraw/zinc/81/15/92/529811592.db2.gz AEKDGWUBBVDXBE-HNNXBMFYSA-N 2 2 314.351 3.113 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124147 529811593 /nfs/dbraw/zinc/81/15/93/529811593.db2.gz AEKDGWUBBVDXBE-HNNXBMFYSA-N 2 2 314.351 3.113 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124147 529811594 /nfs/dbraw/zinc/81/15/94/529811594.db2.gz AEKDGWUBBVDXBE-HNNXBMFYSA-N 2 2 314.351 3.113 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124147 529811595 /nfs/dbraw/zinc/81/15/95/529811595.db2.gz AEKDGWUBBVDXBE-HNNXBMFYSA-N 2 2 314.351 3.113 20 0 DGADLP C[NH2+]C1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000430923459 529955936 /nfs/dbraw/zinc/95/59/36/529955936.db2.gz DXAHFCLVIGSUGE-UHFFFAOYSA-N 2 2 324.468 3.476 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000430562492 529990391 /nfs/dbraw/zinc/99/03/91/529990391.db2.gz DXBAELUILKGIIN-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCOc1cccc(C(F)(F)F)c1 ZINC000430562492 529990394 /nfs/dbraw/zinc/99/03/94/529990394.db2.gz DXBAELUILKGIIN-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430929615 529993100 /nfs/dbraw/zinc/99/31/00/529993100.db2.gz PWBOSZMWGJFXFY-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430929615 529993104 /nfs/dbraw/zinc/99/31/04/529993104.db2.gz PWBOSZMWGJFXFY-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435433481 530024699 /nfs/dbraw/zinc/02/46/99/530024699.db2.gz SFKGNIACMBOPLX-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435433481 530024701 /nfs/dbraw/zinc/02/47/01/530024701.db2.gz SFKGNIACMBOPLX-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP Fc1ccccc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272675458 210081403 /nfs/dbraw/zinc/08/14/03/210081403.db2.gz MAHBZNJNNRJJAG-UHFFFAOYSA-N 2 2 318.358 3.375 20 0 DGADLP Oc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000130295233 432020144 /nfs/dbraw/zinc/02/01/44/432020144.db2.gz NRFWCWLMZKEAJU-IBGZPJMESA-N 2 2 323.440 3.029 20 0 DGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000279800366 215156335 /nfs/dbraw/zinc/15/63/35/215156335.db2.gz WBBWVDVOVAXGTM-DNVCBOLYSA-N 2 2 309.413 3.243 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1nccn1-c1ccccc1 ZINC000287000859 219263074 /nfs/dbraw/zinc/26/30/74/219263074.db2.gz KCTPOFAQEAACNA-UIBIWLFHSA-N 2 2 312.461 3.252 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1nccn1-c1ccccc1 ZINC000287000859 219263076 /nfs/dbraw/zinc/26/30/76/219263076.db2.gz KCTPOFAQEAACNA-UIBIWLFHSA-N 2 2 312.461 3.252 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2cccc(F)c2)n1 ZINC000130399318 432024085 /nfs/dbraw/zinc/02/40/85/432024085.db2.gz MGDYOWNKSGZUME-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2cccc(F)c2)n1 ZINC000130399318 432024086 /nfs/dbraw/zinc/02/40/86/432024086.db2.gz MGDYOWNKSGZUME-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Br)ccc1F ZINC000149264825 186048550 /nfs/dbraw/zinc/04/85/50/186048550.db2.gz XRRAGJRJVNKWIV-JTQLQIEISA-N 2 2 303.219 3.191 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccs2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152446064 186074087 /nfs/dbraw/zinc/07/40/87/186074087.db2.gz KWMSEXCRZFFGTJ-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1coc(-c2cccs2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152446064 186074089 /nfs/dbraw/zinc/07/40/89/186074089.db2.gz KWMSEXCRZFFGTJ-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1coc(-c2cccs2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152446064 186074090 /nfs/dbraw/zinc/07/40/90/186074090.db2.gz KWMSEXCRZFFGTJ-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1coc(-c2cccs2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152446064 186074093 /nfs/dbraw/zinc/07/40/93/186074093.db2.gz KWMSEXCRZFFGTJ-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152459805 186075560 /nfs/dbraw/zinc/07/55/60/186075560.db2.gz FXEPAQNYDJXTDL-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152459805 186075561 /nfs/dbraw/zinc/07/55/61/186075561.db2.gz FXEPAQNYDJXTDL-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1cccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000152459805 186075562 /nfs/dbraw/zinc/07/55/62/186075562.db2.gz FXEPAQNYDJXTDL-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1cccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000152459805 186075564 /nfs/dbraw/zinc/07/55/64/186075564.db2.gz FXEPAQNYDJXTDL-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155703675 186105252 /nfs/dbraw/zinc/10/52/52/186105252.db2.gz BKZZXFJZFSLPNX-LBPRGKRZSA-N 2 2 313.430 3.061 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000173331717 186176992 /nfs/dbraw/zinc/17/69/92/186176992.db2.gz WGJXBNCHAWJRMB-QGZVFWFLSA-N 2 2 310.441 3.370 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749416 186377689 /nfs/dbraw/zinc/37/76/89/186377689.db2.gz UBVJJARZFAWXQI-HKUYNNGSSA-N 3 2 317.521 3.074 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749416 186377690 /nfs/dbraw/zinc/37/76/90/186377690.db2.gz UBVJJARZFAWXQI-HKUYNNGSSA-N 3 2 317.521 3.074 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH2+]CCc1cc[nH+]cc1C ZINC000280114134 215386038 /nfs/dbraw/zinc/38/60/38/215386038.db2.gz CBJYPFPUMCJLHU-UHFFFAOYSA-N 2 2 306.413 3.216 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277180243 213349270 /nfs/dbraw/zinc/34/92/70/213349270.db2.gz LGQAMYHPFMAZLY-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277180243 213349273 /nfs/dbraw/zinc/34/92/73/213349273.db2.gz LGQAMYHPFMAZLY-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000579225173 323839740 /nfs/dbraw/zinc/83/97/40/323839740.db2.gz ROQJAMCCMXXAIL-SNVBAGLBSA-N 2 2 303.219 3.238 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C3CC[NH+](C)CC3)cs2)cc1 ZINC000072971261 191258806 /nfs/dbraw/zinc/25/88/06/191258806.db2.gz BIUSXDJQOMFZGK-UHFFFAOYSA-N 2 2 301.459 3.302 20 0 DGADLP CCc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173619980 198233987 /nfs/dbraw/zinc/23/39/87/198233987.db2.gz IYENVRODRIUBKA-OAHLLOKOSA-N 2 2 317.477 3.038 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277135945 213319334 /nfs/dbraw/zinc/31/93/34/213319334.db2.gz IRPCWZRVJSRYGY-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277135945 213319336 /nfs/dbraw/zinc/31/93/36/213319336.db2.gz IRPCWZRVJSRYGY-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173731621 198245872 /nfs/dbraw/zinc/24/58/72/198245872.db2.gz QQFXZIYLNUHJGB-QZTJIDSGSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173731621 198245874 /nfs/dbraw/zinc/24/58/74/198245874.db2.gz QQFXZIYLNUHJGB-QZTJIDSGSA-N 2 2 302.462 3.100 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000174228134 198308510 /nfs/dbraw/zinc/30/85/10/198308510.db2.gz BDEKULWGKBMQBG-KRWDZBQOSA-N 2 2 312.461 3.036 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000174228134 198308512 /nfs/dbraw/zinc/30/85/12/198308512.db2.gz BDEKULWGKBMQBG-KRWDZBQOSA-N 2 2 312.461 3.036 20 0 DGADLP CC[N@@H+](Cc1cscn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392626 198328339 /nfs/dbraw/zinc/32/83/39/198328339.db2.gz LDKRFIJYYHVVDY-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP CC[N@H+](Cc1cscn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392626 198328340 /nfs/dbraw/zinc/32/83/40/198328340.db2.gz LDKRFIJYYHVVDY-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)c(F)c1 ZINC000131252312 432034119 /nfs/dbraw/zinc/03/41/19/432034119.db2.gz AZBXMLNOKRCYQP-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)c(F)c1 ZINC000131252312 432034121 /nfs/dbraw/zinc/03/41/21/432034121.db2.gz AZBXMLNOKRCYQP-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP Cc1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)[nH+]1 ZINC000176786481 198622476 /nfs/dbraw/zinc/62/24/76/198622476.db2.gz XFUFPKHDCJWHAO-OAHLLOKOSA-N 2 2 306.454 3.186 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163762960 432041328 /nfs/dbraw/zinc/04/13/28/432041328.db2.gz MLHDPJMXRFLKKA-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163762960 432041331 /nfs/dbraw/zinc/04/13/31/432041331.db2.gz MLHDPJMXRFLKKA-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000488417435 535268995 /nfs/dbraw/zinc/26/89/95/535268995.db2.gz DPGQSJCQBBRYMM-SQNIBIBYSA-N 2 2 306.519 3.279 20 0 DGADLP Clc1ncccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179175701 432048616 /nfs/dbraw/zinc/04/86/16/432048616.db2.gz BVACUCOIMIZHLF-CZUORRHYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ncccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179175701 432048618 /nfs/dbraw/zinc/04/86/18/432048618.db2.gz BVACUCOIMIZHLF-CZUORRHYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ncccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179175701 432048621 /nfs/dbraw/zinc/04/86/21/432048621.db2.gz BVACUCOIMIZHLF-CZUORRHYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ncccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179175701 432048623 /nfs/dbraw/zinc/04/86/23/432048623.db2.gz BVACUCOIMIZHLF-CZUORRHYSA-N 2 2 305.853 3.184 20 0 DGADLP Cc1nc(C)c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000080693001 192182253 /nfs/dbraw/zinc/18/22/53/192182253.db2.gz UURJQMRPZXEROL-UHFFFAOYSA-N 2 2 303.475 3.372 20 0 DGADLP Cc1nc(C)c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000080693001 192182256 /nfs/dbraw/zinc/18/22/56/192182256.db2.gz UURJQMRPZXEROL-UHFFFAOYSA-N 2 2 303.475 3.372 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000165399598 432055488 /nfs/dbraw/zinc/05/54/88/432055488.db2.gz CNRXCNWSKJJHLP-HNNXBMFYSA-N 2 2 320.452 3.195 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000081571097 192294575 /nfs/dbraw/zinc/29/45/75/192294575.db2.gz FQYJIEJVOWWHHA-CQSZACIVSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000081571097 192294578 /nfs/dbraw/zinc/29/45/78/192294578.db2.gz FQYJIEJVOWWHHA-CQSZACIVSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081571097 192294570 /nfs/dbraw/zinc/29/45/70/192294570.db2.gz FQYJIEJVOWWHHA-CQSZACIVSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081571097 192294573 /nfs/dbraw/zinc/29/45/73/192294573.db2.gz FQYJIEJVOWWHHA-CQSZACIVSA-N 2 2 312.404 3.452 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CC)c1 ZINC000236948669 202087404 /nfs/dbraw/zinc/08/74/04/202087404.db2.gz GUZARSDIJPSMIA-HNNXBMFYSA-N 2 2 300.406 3.026 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CCC)c1 ZINC000236948714 202088808 /nfs/dbraw/zinc/08/88/08/202088808.db2.gz RJBMTRJYARPJSZ-INIZCTEOSA-N 2 2 314.433 3.416 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c2ccccc12 ZINC000237166968 202173528 /nfs/dbraw/zinc/17/35/28/202173528.db2.gz XMMJFXXEZCKPGX-OAHLLOKOSA-N 2 2 309.413 3.471 20 0 DGADLP CC(C)[NH2+]CCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000166898745 432062946 /nfs/dbraw/zinc/06/29/46/432062946.db2.gz KZGNVLMGLVCZFE-UHFFFAOYSA-N 2 2 300.406 3.157 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000179636235 432065498 /nfs/dbraw/zinc/06/54/98/432065498.db2.gz VOFONAYAXBYMLU-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000179636235 432065500 /nfs/dbraw/zinc/06/55/00/432065500.db2.gz VOFONAYAXBYMLU-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCC ZINC000179634894 432065947 /nfs/dbraw/zinc/06/59/47/432065947.db2.gz HHLMPFKTHOMPJJ-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCC ZINC000179634894 432065949 /nfs/dbraw/zinc/06/59/49/432065949.db2.gz HHLMPFKTHOMPJJ-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000168733478 432069988 /nfs/dbraw/zinc/06/99/88/432069988.db2.gz UWOLHAYVPCSYJO-ZOODHJKOSA-N 2 2 311.267 3.235 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)c[nH+]1 ZINC000168950915 432070573 /nfs/dbraw/zinc/07/05/73/432070573.db2.gz MWKLGIVLOFESKA-OTWHNJEPSA-N 2 2 323.440 3.310 20 0 DGADLP C[N@H+](CCCOc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179767121 432070603 /nfs/dbraw/zinc/07/06/03/432070603.db2.gz TWBISIPCRBHVPJ-UHFFFAOYSA-N 2 2 313.376 3.374 20 0 DGADLP C[N@@H+](CCCOc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179767121 432070606 /nfs/dbraw/zinc/07/06/06/432070606.db2.gz TWBISIPCRBHVPJ-UHFFFAOYSA-N 2 2 313.376 3.374 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000179421076 199032571 /nfs/dbraw/zinc/03/25/71/199032571.db2.gz HIAQQXDFRVFCEV-UHFFFAOYSA-N 3 2 322.456 3.464 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000179421076 199032573 /nfs/dbraw/zinc/03/25/73/199032573.db2.gz HIAQQXDFRVFCEV-UHFFFAOYSA-N 3 2 322.456 3.464 20 0 DGADLP COc1ccc2oc(C[NH+]3CCC([NH2+]C(C)C)CC3)cc2c1 ZINC000179838271 199086884 /nfs/dbraw/zinc/08/68/84/199086884.db2.gz WBIDSNXRNHBMKV-UHFFFAOYSA-N 2 2 302.418 3.404 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000179981230 199102149 /nfs/dbraw/zinc/10/21/49/199102149.db2.gz ORDOVBKGLXCFDA-ZDUSSCGKSA-N 2 2 320.868 3.363 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc2ccccc2n1C ZINC000180029436 199109730 /nfs/dbraw/zinc/10/97/30/199109730.db2.gz BTHDVIUFKUVKDG-AWEZNQCLSA-N 2 2 312.461 3.098 20 0 DGADLP c1cn(-c2ccc(C[N@H+](Cc3cccnc3)C3CC3)cc2)c[nH+]1 ZINC000180281459 199141125 /nfs/dbraw/zinc/14/11/25/199141125.db2.gz SDOGAZMASDKFOS-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP c1cn(-c2ccc(C[N@@H+](Cc3cccnc3)C3CC3)cc2)c[nH+]1 ZINC000180281459 199141127 /nfs/dbraw/zinc/14/11/27/199141127.db2.gz SDOGAZMASDKFOS-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000134266621 432075874 /nfs/dbraw/zinc/07/58/74/432075874.db2.gz LWLXYVMCVVZQII-UHFFFAOYSA-N 2 2 302.462 3.364 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCS2 ZINC000187677014 200143007 /nfs/dbraw/zinc/14/30/07/200143007.db2.gz UUVJOODDYFGESH-INIZCTEOSA-N 2 2 317.458 3.499 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354761 237612452 /nfs/dbraw/zinc/61/24/52/237612452.db2.gz MNHBYBAMRCYSRE-LBPRGKRZSA-N 2 2 300.368 3.320 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000237882429 202379025 /nfs/dbraw/zinc/37/90/25/202379025.db2.gz NRJCTXRCTQEHON-ZIAGYGMSSA-N 2 2 311.385 3.330 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000188785024 200302916 /nfs/dbraw/zinc/30/29/16/200302916.db2.gz WGEFDBPNAIQJBA-ACAXCVFMSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000188785024 200302917 /nfs/dbraw/zinc/30/29/17/200302917.db2.gz WGEFDBPNAIQJBA-ACAXCVFMSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)[nH+]1 ZINC000422755352 237794702 /nfs/dbraw/zinc/79/47/02/237794702.db2.gz GTGGOVPGSHFISV-RTBURBONSA-N 3 2 322.456 3.093 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422790970 237798723 /nfs/dbraw/zinc/79/87/23/237798723.db2.gz CNXVDOKFBYBHCQ-CHWSQXEVSA-N 2 2 302.340 3.335 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000422856592 237804588 /nfs/dbraw/zinc/80/45/88/237804588.db2.gz WZVJAUNQCFGBSE-MJBXVCDLSA-N 2 2 311.495 3.251 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)CCC[NH2+]1 ZINC000423417539 237848108 /nfs/dbraw/zinc/84/81/08/237848108.db2.gz SOXVGVZYYSAOFY-MOPGFXCFSA-N 2 2 316.445 3.488 20 0 DGADLP C[C@@H](CCCC(F)(F)F)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423236161 237834158 /nfs/dbraw/zinc/83/41/58/237834158.db2.gz RPKJXLVVHAYMHK-LBPRGKRZSA-N 2 2 316.371 3.024 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040350 238007179 /nfs/dbraw/zinc/00/71/79/238007179.db2.gz JWLZWZSHODRIBE-MAUKXSAKSA-N 2 2 309.413 3.058 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040350 238007180 /nfs/dbraw/zinc/00/71/80/238007180.db2.gz JWLZWZSHODRIBE-MAUKXSAKSA-N 2 2 309.413 3.058 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000429240001 238044440 /nfs/dbraw/zinc/04/44/40/238044440.db2.gz SICCZLLYXJXBFR-WMZOPIPTSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000429240001 238044441 /nfs/dbraw/zinc/04/44/41/238044441.db2.gz SICCZLLYXJXBFR-WMZOPIPTSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000429240001 238044442 /nfs/dbraw/zinc/04/44/42/238044442.db2.gz SICCZLLYXJXBFR-WMZOPIPTSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000429240001 238044443 /nfs/dbraw/zinc/04/44/43/238044443.db2.gz SICCZLLYXJXBFR-WMZOPIPTSA-N 2 2 319.468 3.211 20 0 DGADLP Cc1cc(Br)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428990808 238037262 /nfs/dbraw/zinc/03/72/62/238037262.db2.gz GYABEGOSIYCUBX-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(Br)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428990808 238037263 /nfs/dbraw/zinc/03/72/63/238037263.db2.gz GYABEGOSIYCUBX-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990808 238037264 /nfs/dbraw/zinc/03/72/64/238037264.db2.gz GYABEGOSIYCUBX-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990808 238037265 /nfs/dbraw/zinc/03/72/65/238037265.db2.gz GYABEGOSIYCUBX-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1C ZINC000431068400 238093501 /nfs/dbraw/zinc/09/35/01/238093501.db2.gz SSHUEUNHSIQIRK-HNNXBMFYSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1C ZINC000431068400 238093502 /nfs/dbraw/zinc/09/35/02/238093502.db2.gz SSHUEUNHSIQIRK-HNNXBMFYSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000430550733 238079416 /nfs/dbraw/zinc/07/94/16/238079416.db2.gz ZODCJLDFPIFJEF-QLFBSQMISA-N 2 2 314.433 3.165 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000430550733 238079417 /nfs/dbraw/zinc/07/94/17/238079417.db2.gz ZODCJLDFPIFJEF-QLFBSQMISA-N 2 2 314.433 3.165 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430562741 238079580 /nfs/dbraw/zinc/07/95/80/238079580.db2.gz GCAMHVCLEXXTOE-AAEUAGOBSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430562741 238079582 /nfs/dbraw/zinc/07/95/82/238079582.db2.gz GCAMHVCLEXXTOE-AAEUAGOBSA-N 2 2 305.447 3.271 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560019 238079701 /nfs/dbraw/zinc/07/97/01/238079701.db2.gz YKHYSMDLJBGBOR-GXTWGEPZSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560019 238079702 /nfs/dbraw/zinc/07/97/02/238079702.db2.gz YKHYSMDLJBGBOR-GXTWGEPZSA-N 2 2 303.381 3.040 20 0 DGADLP Cc1c(Cl)c(C[NH2+][C@@](C)(C[NH3+])C2CC2)nc2ccccc12 ZINC000430595112 238081243 /nfs/dbraw/zinc/08/12/43/238081243.db2.gz LURIKERDIDEVJF-KRWDZBQOSA-N 2 2 303.837 3.414 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430967271 238091524 /nfs/dbraw/zinc/09/15/24/238091524.db2.gz RHVPNZDHYCPEBU-MELADBBJSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430967271 238091525 /nfs/dbraw/zinc/09/15/25/238091525.db2.gz RHVPNZDHYCPEBU-MELADBBJSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@@H](CC(C)C)C3)n2c1 ZINC000271989254 209363474 /nfs/dbraw/zinc/36/34/74/209363474.db2.gz LKKSLOZDFRXZGR-RDJZCZTQSA-N 2 2 301.434 3.326 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435421965 238303762 /nfs/dbraw/zinc/30/37/62/238303762.db2.gz JXNIWMBACCGYIO-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000435421965 238303766 /nfs/dbraw/zinc/30/37/66/238303766.db2.gz JXNIWMBACCGYIO-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435621297 238327638 /nfs/dbraw/zinc/32/76/38/238327638.db2.gz KKHYTAVBCFLNDL-CQSZACIVSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435621297 238327645 /nfs/dbraw/zinc/32/76/45/238327645.db2.gz KKHYTAVBCFLNDL-CQSZACIVSA-N 2 2 305.447 3.285 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193931980 201148092 /nfs/dbraw/zinc/14/80/92/201148092.db2.gz AWSXZDVUMCLTJH-YLJYHZDGSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193931980 201148094 /nfs/dbraw/zinc/14/80/94/201148094.db2.gz AWSXZDVUMCLTJH-YLJYHZDGSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193931980 201148095 /nfs/dbraw/zinc/14/80/95/201148095.db2.gz AWSXZDVUMCLTJH-YLJYHZDGSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000193931980 201148098 /nfs/dbraw/zinc/14/80/98/201148098.db2.gz AWSXZDVUMCLTJH-YLJYHZDGSA-N 2 2 324.472 3.469 20 0 DGADLP C=Cn1cc(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000194037742 201166888 /nfs/dbraw/zinc/16/68/88/201166888.db2.gz NDOFZUVJKXPICV-IBGZPJMESA-N 2 2 324.472 3.328 20 0 DGADLP C=Cn1cc(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000194037742 201166889 /nfs/dbraw/zinc/16/68/89/201166889.db2.gz NDOFZUVJKXPICV-IBGZPJMESA-N 2 2 324.472 3.328 20 0 DGADLP C=Cn1cc(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000194037742 201166892 /nfs/dbraw/zinc/16/68/92/201166892.db2.gz NDOFZUVJKXPICV-IBGZPJMESA-N 2 2 324.472 3.328 20 0 DGADLP C=Cn1cc(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000194037742 201166895 /nfs/dbraw/zinc/16/68/95/201166895.db2.gz NDOFZUVJKXPICV-IBGZPJMESA-N 2 2 324.472 3.328 20 0 DGADLP C[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538874 201246564 /nfs/dbraw/zinc/24/65/64/201246564.db2.gz SUSPUSBLRBSKRR-YUELXQCFSA-N 2 2 323.278 3.046 20 0 DGADLP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538874 201246567 /nfs/dbraw/zinc/24/65/67/201246567.db2.gz SUSPUSBLRBSKRR-YUELXQCFSA-N 2 2 323.278 3.046 20 0 DGADLP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538874 201246570 /nfs/dbraw/zinc/24/65/70/201246570.db2.gz SUSPUSBLRBSKRR-YUELXQCFSA-N 2 2 323.278 3.046 20 0 DGADLP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538874 201246572 /nfs/dbraw/zinc/24/65/72/201246572.db2.gz SUSPUSBLRBSKRR-YUELXQCFSA-N 2 2 323.278 3.046 20 0 DGADLP COCCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000442766753 239119395 /nfs/dbraw/zinc/11/93/95/239119395.db2.gz LMZMRTIOJGTVHG-JVPBZIDWSA-N 2 2 320.452 3.366 20 0 DGADLP COCCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000442766753 239119403 /nfs/dbraw/zinc/11/94/03/239119403.db2.gz LMZMRTIOJGTVHG-JVPBZIDWSA-N 2 2 320.452 3.366 20 0 DGADLP CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000194928334 201313468 /nfs/dbraw/zinc/31/34/68/201313468.db2.gz LLBWMEDWEAWINR-GOSISDBHSA-N 2 2 314.433 3.048 20 0 DGADLP CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000194928334 201313469 /nfs/dbraw/zinc/31/34/69/201313469.db2.gz LLBWMEDWEAWINR-GOSISDBHSA-N 2 2 314.433 3.048 20 0 DGADLP COCC[N@H+](C)CCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000443424585 239199183 /nfs/dbraw/zinc/19/91/83/239199183.db2.gz GZIJLCLCPUVHEA-UHFFFAOYSA-N 2 2 305.397 3.063 20 0 DGADLP COCC[N@@H+](C)CCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000443424585 239199188 /nfs/dbraw/zinc/19/91/88/239199188.db2.gz GZIJLCLCPUVHEA-UHFFFAOYSA-N 2 2 305.397 3.063 20 0 DGADLP FC(F)(F)c1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000443982089 239246716 /nfs/dbraw/zinc/24/67/16/239246716.db2.gz SWFAALSNCYPTTL-UHFFFAOYSA-N 2 2 319.396 3.268 20 0 DGADLP CN(Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271829237 209249367 /nfs/dbraw/zinc/24/93/67/209249367.db2.gz QMMBTZXARPBIJR-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP CN(Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271829237 209249369 /nfs/dbraw/zinc/24/93/69/209249369.db2.gz QMMBTZXARPBIJR-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP COc1ccccc1[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271821170 209244953 /nfs/dbraw/zinc/24/49/53/209244953.db2.gz NGKXVVKEZVWJAN-OAHLLOKOSA-N 2 2 307.397 3.332 20 0 DGADLP COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271821170 209244955 /nfs/dbraw/zinc/24/49/55/209244955.db2.gz NGKXVVKEZVWJAN-OAHLLOKOSA-N 2 2 307.397 3.332 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449070623 240002627 /nfs/dbraw/zinc/00/26/27/240002627.db2.gz DLEFYLYCCBETOL-UHFFFAOYSA-N 2 2 304.482 3.208 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000449089799 240012702 /nfs/dbraw/zinc/01/27/02/240012702.db2.gz LMNGQINXOFSMHN-CXAGYDPISA-N 2 2 308.466 3.131 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189435 240057956 /nfs/dbraw/zinc/05/79/56/240057956.db2.gz HETYHDNLDHYYBE-JJMJETSISA-N 2 2 306.494 3.329 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189435 240057962 /nfs/dbraw/zinc/05/79/62/240057962.db2.gz HETYHDNLDHYYBE-JJMJETSISA-N 2 2 306.494 3.329 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449190474 240059047 /nfs/dbraw/zinc/05/90/47/240059047.db2.gz IWOSKUSDDNBOSI-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449190474 240059050 /nfs/dbraw/zinc/05/90/50/240059050.db2.gz IWOSKUSDDNBOSI-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP CCOC1CC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000449351935 240148142 /nfs/dbraw/zinc/14/81/42/240148142.db2.gz SDIDADPROCHRRL-UHFFFAOYSA-N 2 2 305.809 3.183 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3=CCCCC3)sc2C1 ZINC000449375100 240163653 /nfs/dbraw/zinc/16/36/53/240163653.db2.gz FHMBZJKIBQURMB-UHFFFAOYSA-N 2 2 305.491 3.500 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3=CCCCC3)sc2C1 ZINC000449375100 240163658 /nfs/dbraw/zinc/16/36/58/240163658.db2.gz FHMBZJKIBQURMB-UHFFFAOYSA-N 2 2 305.491 3.500 20 0 DGADLP CC[C@@H](COCC(F)(F)F)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449381013 240165520 /nfs/dbraw/zinc/16/55/20/240165520.db2.gz QBXILYVXDIRDCM-AWEZNQCLSA-N 2 2 304.356 3.270 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000449398964 240175007 /nfs/dbraw/zinc/17/50/07/240175007.db2.gz XIQUCCIRPFXDMU-SLFFLAALSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000449398964 240175014 /nfs/dbraw/zinc/17/50/14/240175014.db2.gz XIQUCCIRPFXDMU-SLFFLAALSA-N 2 2 316.489 3.149 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000449405058 240178748 /nfs/dbraw/zinc/17/87/48/240178748.db2.gz WXSWWDAVHOKJSY-GXTWGEPZSA-N 2 2 310.404 3.054 20 0 DGADLP Fc1cnccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000449326540 240131891 /nfs/dbraw/zinc/13/18/91/240131891.db2.gz XABRYCSCJIUXOT-UHFFFAOYSA-N 2 2 302.397 3.110 20 0 DGADLP CC[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449433008 240202425 /nfs/dbraw/zinc/20/24/25/240202425.db2.gz KKABGZWNWXKTFO-ZWKOTPCHSA-N 2 2 301.478 3.462 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000449440964 240206627 /nfs/dbraw/zinc/20/66/27/240206627.db2.gz DUQDZJYLDYDKGY-INIZCTEOSA-N 2 2 310.482 3.129 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449469655 240225894 /nfs/dbraw/zinc/22/58/94/240225894.db2.gz UXSNGCFILUDSPY-WBVHZDCISA-N 2 2 315.486 3.419 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449469655 240225898 /nfs/dbraw/zinc/22/58/98/240225898.db2.gz UXSNGCFILUDSPY-WBVHZDCISA-N 2 2 315.486 3.419 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)n2c1 ZINC000449515492 240260773 /nfs/dbraw/zinc/26/07/73/240260773.db2.gz ZRAQFOLCSNEEDX-AEFFLSMTSA-N 2 2 303.450 3.021 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c[nH+]1 ZINC000449543099 240274899 /nfs/dbraw/zinc/27/48/99/240274899.db2.gz RZNVZBPPKOJEGW-MOPGFXCFSA-N 2 2 311.429 3.228 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c1 ZINC000449619348 240323197 /nfs/dbraw/zinc/32/31/97/240323197.db2.gz OXIWHJVYWHJNEM-WKILWMFISA-N 2 2 307.397 3.379 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2c(F)cccc2-n2cccn2)c[nH+]1 ZINC000449688619 240371623 /nfs/dbraw/zinc/37/16/23/240371623.db2.gz HFQDLHFAULGZEI-UHFFFAOYSA-N 2 2 324.403 3.437 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449750520 240397250 /nfs/dbraw/zinc/39/72/50/240397250.db2.gz VCFDWGGYPAKNEV-CRAIPNDOSA-N 2 2 317.477 3.223 20 0 DGADLP COc1cccnc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449745922 240398366 /nfs/dbraw/zinc/39/83/66/240398366.db2.gz DGVQBGFJTZGDLX-CQSZACIVSA-N 2 2 322.412 3.435 20 0 DGADLP Brc1cccc2c1CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000091261987 193027617 /nfs/dbraw/zinc/02/76/17/193027617.db2.gz GREBZGBRBJZKFK-HNNXBMFYSA-N 2 2 320.234 3.313 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3ccccc3n2C)C1 ZINC000091333261 193042254 /nfs/dbraw/zinc/04/22/54/193042254.db2.gz VHFVYLFXPHSVQF-HOTGVXAUSA-N 2 2 314.477 3.344 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3ccccc3n2C)C1 ZINC000091333261 193042256 /nfs/dbraw/zinc/04/22/56/193042256.db2.gz VHFVYLFXPHSVQF-HOTGVXAUSA-N 2 2 314.477 3.344 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)C[NH+]1CCCC1 ZINC000171141706 432106650 /nfs/dbraw/zinc/10/66/50/432106650.db2.gz OIUMHWCSIKTJLL-YLJYHZDGSA-N 2 2 309.457 3.493 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246221389 432108976 /nfs/dbraw/zinc/10/89/76/432108976.db2.gz ZMQCBGKOJNUNBD-HUUCEWRRSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246221389 432108978 /nfs/dbraw/zinc/10/89/78/432108978.db2.gz ZMQCBGKOJNUNBD-HUUCEWRRSA-N 2 2 322.449 3.099 20 0 DGADLP CCCCOCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452116773 241319655 /nfs/dbraw/zinc/31/96/55/241319655.db2.gz MLXBGRVBWXQCKT-UHFFFAOYSA-N 2 2 310.404 3.152 20 0 DGADLP CCCCOCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452116773 241319659 /nfs/dbraw/zinc/31/96/59/241319659.db2.gz MLXBGRVBWXQCKT-UHFFFAOYSA-N 2 2 310.404 3.152 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000453109265 241629421 /nfs/dbraw/zinc/62/94/21/241629421.db2.gz AFESEAGNMGAXDY-YJBOKZPZSA-N 2 2 310.445 3.143 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271299 212239242 /nfs/dbraw/zinc/23/92/42/212239242.db2.gz QNHZHKCUOVDBKQ-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271299 212239245 /nfs/dbraw/zinc/23/92/45/212239245.db2.gz QNHZHKCUOVDBKQ-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc(Br)c1 ZINC000275271299 212239247 /nfs/dbraw/zinc/23/92/47/212239247.db2.gz QNHZHKCUOVDBKQ-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc(Br)c1 ZINC000275271299 212239250 /nfs/dbraw/zinc/23/92/50/212239250.db2.gz QNHZHKCUOVDBKQ-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)s2)o1 ZINC000092253903 193180430 /nfs/dbraw/zinc/18/04/30/193180430.db2.gz LPUMOGQBFPBKJO-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)s2)o1 ZINC000092253903 193180432 /nfs/dbraw/zinc/18/04/32/193180432.db2.gz LPUMOGQBFPBKJO-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)s2)o1 ZINC000092253903 193180434 /nfs/dbraw/zinc/18/04/34/193180434.db2.gz LPUMOGQBFPBKJO-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000092253903 193180436 /nfs/dbraw/zinc/18/04/36/193180436.db2.gz LPUMOGQBFPBKJO-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000459449555 243373920 /nfs/dbraw/zinc/37/39/20/243373920.db2.gz ZOAMVXAHHAOOSX-MRXNPFEDSA-N 2 2 307.800 3.187 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000459449555 243373923 /nfs/dbraw/zinc/37/39/23/243373923.db2.gz ZOAMVXAHHAOOSX-MRXNPFEDSA-N 2 2 307.800 3.187 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459454681 243376606 /nfs/dbraw/zinc/37/66/06/243376606.db2.gz VCKCNAXIHASLAG-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468428720 244040733 /nfs/dbraw/zinc/04/07/33/244040733.db2.gz SFCZOKFWBVEZHX-QRQLOZEOSA-N 2 2 304.478 3.038 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468428720 244040739 /nfs/dbraw/zinc/04/07/39/244040739.db2.gz SFCZOKFWBVEZHX-QRQLOZEOSA-N 2 2 304.478 3.038 20 0 DGADLP COCC[C@@H](C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797515 244065545 /nfs/dbraw/zinc/06/55/45/244065545.db2.gz CEFORCCHFPWHSJ-VQIMIIECSA-N 2 2 318.505 3.474 20 0 DGADLP COCC[C@@H](C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797515 244065547 /nfs/dbraw/zinc/06/55/47/244065547.db2.gz CEFORCCHFPWHSJ-VQIMIIECSA-N 2 2 318.505 3.474 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422970000 296135413 /nfs/dbraw/zinc/13/54/13/296135413.db2.gz VOXPKHDYKSUBRF-XLIONFOSSA-N 3 2 315.505 3.149 20 0 DGADLP CCC[N@H+](Cc1cc(C)c(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000469998607 244140487 /nfs/dbraw/zinc/14/04/87/244140487.db2.gz GZAPXTGJSMHDKR-LLVKDONJSA-N 2 2 317.296 3.393 20 0 DGADLP CCC[N@@H+](Cc1cc(C)c(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000469998607 244140493 /nfs/dbraw/zinc/14/04/93/244140493.db2.gz GZAPXTGJSMHDKR-LLVKDONJSA-N 2 2 317.296 3.393 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471612009 244221905 /nfs/dbraw/zinc/22/19/05/244221905.db2.gz RSUPDLNLYRVGTI-MDZRGWNJSA-N 2 2 304.478 3.473 20 0 DGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000262319215 203259291 /nfs/dbraw/zinc/25/92/91/203259291.db2.gz QMSHMHQVDKHWQK-GOSISDBHSA-N 2 2 314.433 3.219 20 0 DGADLP Cc1ccn2c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000093563832 193267876 /nfs/dbraw/zinc/26/78/76/193267876.db2.gz URWRBAXJJWDDDW-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccn2c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000093563832 193267877 /nfs/dbraw/zinc/26/78/77/193267877.db2.gz URWRBAXJJWDDDW-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597471 193272143 /nfs/dbraw/zinc/27/21/43/193272143.db2.gz BLQJBYUGWBURAX-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597471 193272145 /nfs/dbraw/zinc/27/21/45/193272145.db2.gz BLQJBYUGWBURAX-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc2ccccc12 ZINC000094341269 193361807 /nfs/dbraw/zinc/36/18/07/193361807.db2.gz HGFOMUGUMMCWBO-BXUZGUMPSA-N 2 2 303.837 3.366 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)nc2ccccc12 ZINC000094341269 193361809 /nfs/dbraw/zinc/36/18/09/193361809.db2.gz HGFOMUGUMMCWBO-BXUZGUMPSA-N 2 2 303.837 3.366 20 0 DGADLP C[C@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000094341503 193362689 /nfs/dbraw/zinc/36/26/89/193362689.db2.gz XGMNFPXMDBGDNL-NHYWBVRUSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000094341503 193362691 /nfs/dbraw/zinc/36/26/91/193362691.db2.gz XGMNFPXMDBGDNL-NHYWBVRUSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH2+][C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423106123 296154126 /nfs/dbraw/zinc/15/41/26/296154126.db2.gz OHVQJVLBZAROGK-WKPIXPDZSA-N 2 2 324.266 3.025 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C/C=C\c1ccncc1 ZINC000486969423 245006661 /nfs/dbraw/zinc/00/66/61/245006661.db2.gz KYFGUYPRHCNINO-XQRVVYSFSA-N 2 2 306.413 3.433 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000282444523 217000107 /nfs/dbraw/zinc/00/01/07/217000107.db2.gz FBTDYLAOQZQTLF-LEAZDLGRSA-N 2 2 316.489 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000282444523 217000108 /nfs/dbraw/zinc/00/01/08/217000108.db2.gz FBTDYLAOQZQTLF-LEAZDLGRSA-N 2 2 316.489 3.302 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487924758 245124133 /nfs/dbraw/zinc/12/41/33/245124133.db2.gz YYBIOQSAPLAADA-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000487924758 245124137 /nfs/dbraw/zinc/12/41/37/245124137.db2.gz YYBIOQSAPLAADA-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000487924758 245124139 /nfs/dbraw/zinc/12/41/39/245124139.db2.gz YYBIOQSAPLAADA-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000487924758 245124143 /nfs/dbraw/zinc/12/41/43/245124143.db2.gz YYBIOQSAPLAADA-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000123119912 284232378 /nfs/dbraw/zinc/23/23/78/284232378.db2.gz YVHHOUKKNQCVCV-AABGKKOBSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000123119912 284232382 /nfs/dbraw/zinc/23/23/82/284232382.db2.gz YVHHOUKKNQCVCV-AABGKKOBSA-N 2 2 316.489 3.228 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314519 245177381 /nfs/dbraw/zinc/17/73/81/245177381.db2.gz OFDCHSAKZUCBSO-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314519 245177384 /nfs/dbraw/zinc/17/73/84/245177384.db2.gz OFDCHSAKZUCBSO-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314519 245177387 /nfs/dbraw/zinc/17/73/87/245177387.db2.gz OFDCHSAKZUCBSO-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@@H]21 ZINC000488314519 245177390 /nfs/dbraw/zinc/17/73/90/245177390.db2.gz OFDCHSAKZUCBSO-KDOFPFPSSA-N 2 2 301.409 3.223 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000246369403 432123338 /nfs/dbraw/zinc/12/33/38/432123338.db2.gz JEDNJCZGPNRRGP-FUHWJXTLSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000246369403 432123341 /nfs/dbraw/zinc/12/33/41/432123341.db2.gz JEDNJCZGPNRRGP-FUHWJXTLSA-N 2 2 301.478 3.462 20 0 DGADLP Fc1ccccc1SCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264684286 204077643 /nfs/dbraw/zinc/07/76/43/204077643.db2.gz BMYHBHBKHRHNID-UHFFFAOYSA-N 2 2 305.422 3.451 20 0 DGADLP c1ccc2c(NCc3ccc[nH+]c3N3CCOCC3)cc[nH+]c2c1 ZINC000264693597 204082860 /nfs/dbraw/zinc/08/28/60/204082860.db2.gz ZRPZMTPXOAKZQJ-UHFFFAOYSA-N 2 2 320.396 3.079 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125586480 284279034 /nfs/dbraw/zinc/27/90/34/284279034.db2.gz GYAWEDJDLRXJBR-LJQANCHMSA-N 2 2 320.440 3.351 20 0 DGADLP Cc1ncc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000490306883 245395741 /nfs/dbraw/zinc/39/57/41/245395741.db2.gz JILGVJQADHXGNY-UHFFFAOYSA-N 2 2 321.412 3.300 20 0 DGADLP c1ccc2cc(CC[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000266039488 205048479 /nfs/dbraw/zinc/04/84/79/205048479.db2.gz VONODACOISJOPX-IBGZPJMESA-N 2 2 324.468 3.036 20 0 DGADLP c1ccc2cc(CC[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000266039488 205048483 /nfs/dbraw/zinc/04/84/83/205048483.db2.gz VONODACOISJOPX-IBGZPJMESA-N 2 2 324.468 3.036 20 0 DGADLP c1csc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127717108 284349376 /nfs/dbraw/zinc/34/93/76/284349376.db2.gz ZOABDALOVQYIFT-UHFFFAOYSA-N 2 2 316.474 3.198 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266303532 205251559 /nfs/dbraw/zinc/25/15/59/205251559.db2.gz CBLXHKJZWYLRCX-QFBILLFUSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266303532 205251561 /nfs/dbraw/zinc/25/15/61/205251561.db2.gz CBLXHKJZWYLRCX-QFBILLFUSA-N 2 2 310.441 3.187 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000266435822 205345161 /nfs/dbraw/zinc/34/51/61/205345161.db2.gz VFAXTQBKDLWUPP-AWEZNQCLSA-N 2 2 302.447 3.171 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000266435822 205345166 /nfs/dbraw/zinc/34/51/66/205345166.db2.gz VFAXTQBKDLWUPP-AWEZNQCLSA-N 2 2 302.447 3.171 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000268785070 432132060 /nfs/dbraw/zinc/13/20/60/432132060.db2.gz ZQUMRZGEPBALTC-TYNCELHUSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Br ZINC000020506270 182225593 /nfs/dbraw/zinc/22/55/93/182225593.db2.gz HHGCXZDMVNJKKB-GFCCVEGCSA-N 2 2 308.223 3.387 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000020506307 182226081 /nfs/dbraw/zinc/22/60/81/182226081.db2.gz PZUNKKSRPODPGY-LBPRGKRZSA-N 2 2 308.223 3.387 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000130343767 284439373 /nfs/dbraw/zinc/43/93/73/284439373.db2.gz GTCIULZDAZYPKO-IZBJGVDFSA-N 2 2 316.489 3.412 20 0 DGADLP CCc1nc(C)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000494309598 246132468 /nfs/dbraw/zinc/13/24/68/246132468.db2.gz JDKNZCWKJSMFCH-UHFFFAOYSA-N 2 2 319.371 3.052 20 0 DGADLP Fc1cncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000494559874 246163207 /nfs/dbraw/zinc/16/32/07/246163207.db2.gz FIIWXOWXBJBFSJ-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495222529 246247985 /nfs/dbraw/zinc/24/79/85/246247985.db2.gz XCDAPTPQHYDCDY-HKUYNNGSSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495222529 246247990 /nfs/dbraw/zinc/24/79/90/246247990.db2.gz XCDAPTPQHYDCDY-HKUYNNGSSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495222529 246247991 /nfs/dbraw/zinc/24/79/91/246247991.db2.gz XCDAPTPQHYDCDY-HKUYNNGSSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495222529 246247996 /nfs/dbraw/zinc/24/79/96/246247996.db2.gz XCDAPTPQHYDCDY-HKUYNNGSSA-N 2 2 302.462 3.392 20 0 DGADLP COC(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000495815156 246311845 /nfs/dbraw/zinc/31/18/45/246311845.db2.gz XDPYBAXCKUJXKJ-UHFFFAOYSA-N 2 2 324.384 3.111 20 0 DGADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000246493310 432138700 /nfs/dbraw/zinc/13/87/00/432138700.db2.gz HIHAETWFMVOHGW-SUMWQHHRSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000246493310 432138702 /nfs/dbraw/zinc/13/87/02/432138702.db2.gz HIHAETWFMVOHGW-SUMWQHHRSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000246493310 432138705 /nfs/dbraw/zinc/13/87/05/432138705.db2.gz HIHAETWFMVOHGW-SUMWQHHRSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000246493310 432138706 /nfs/dbraw/zinc/13/87/06/432138706.db2.gz HIHAETWFMVOHGW-SUMWQHHRSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000136085170 432146349 /nfs/dbraw/zinc/14/63/49/432146349.db2.gz FNOVSAJXJAGUPG-ZBFHGGJFSA-N 2 2 319.836 3.498 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883056 432146748 /nfs/dbraw/zinc/14/67/48/432146748.db2.gz BXNQIZBFMMIBMV-PKOBYXMFSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883056 432146750 /nfs/dbraw/zinc/14/67/50/432146750.db2.gz BXNQIZBFMMIBMV-PKOBYXMFSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000268883056 432146751 /nfs/dbraw/zinc/14/67/51/432146751.db2.gz BXNQIZBFMMIBMV-PKOBYXMFSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000268883056 432146755 /nfs/dbraw/zinc/14/67/55/432146755.db2.gz BXNQIZBFMMIBMV-PKOBYXMFSA-N 2 2 311.429 3.161 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)s1 ZINC000041050978 183159577 /nfs/dbraw/zinc/15/95/77/183159577.db2.gz CFALGZJGGOUWMT-VIFPVBQESA-N 2 2 300.225 3.058 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427549 183269230 /nfs/dbraw/zinc/26/92/30/183269230.db2.gz MSICMDDDFJCHDW-ZYHUDNBSSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427549 183269231 /nfs/dbraw/zinc/26/92/31/183269231.db2.gz MSICMDDDFJCHDW-ZYHUDNBSSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427550 183269362 /nfs/dbraw/zinc/26/93/62/183269362.db2.gz MSICMDDDFJCHDW-CMPLNLGQSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427550 183269365 /nfs/dbraw/zinc/26/93/65/183269365.db2.gz MSICMDDDFJCHDW-CMPLNLGQSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1F ZINC000042427456 183269645 /nfs/dbraw/zinc/26/96/45/183269645.db2.gz RDEUGSUZAZSJQR-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1F ZINC000042427456 183269648 /nfs/dbraw/zinc/26/96/48/183269648.db2.gz RDEUGSUZAZSJQR-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1ccc2c(C)cc(NCC3([NH+](C)C)CCOCC3)[nH+]c2c1 ZINC000274025782 211285302 /nfs/dbraw/zinc/28/53/02/211285302.db2.gz FZRLPQUZEYHJQB-UHFFFAOYSA-N 2 2 313.445 3.374 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)ccc2n1C ZINC000154069065 284710147 /nfs/dbraw/zinc/71/01/47/284710147.db2.gz BWBQPRXHEQPGBX-AVGNSLFASA-N 2 2 314.433 3.082 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000284513376 218059932 /nfs/dbraw/zinc/05/99/32/218059932.db2.gz WFDYRCPYYIUHAD-GFCCVEGCSA-N 2 2 311.857 3.267 20 0 DGADLP C[C@]12CC[N@H+](Cc3cccc4[nH+]ccn43)C[C@H]1C2(Cl)Cl ZINC000284519107 218061348 /nfs/dbraw/zinc/06/13/48/218061348.db2.gz YZMDWLDPJPZDQV-OCCSQVGLSA-N 2 2 310.228 3.350 20 0 DGADLP C[C@]12CC[N@@H+](Cc3cccc4[nH+]ccn43)C[C@H]1C2(Cl)Cl ZINC000284519107 218061350 /nfs/dbraw/zinc/06/13/50/218061350.db2.gz YZMDWLDPJPZDQV-OCCSQVGLSA-N 2 2 310.228 3.350 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC4(CCOCC4)CC3)cc2)c[nH+]1 ZINC000284871323 218213912 /nfs/dbraw/zinc/21/39/12/218213912.db2.gz VDGXDCYSOBSARL-UHFFFAOYSA-N 2 2 311.429 3.265 20 0 DGADLP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)c(Cl)c1OC ZINC000106366392 194202081 /nfs/dbraw/zinc/20/20/81/194202081.db2.gz VYHMNOFHDBACQS-UHFFFAOYSA-N 2 2 314.857 3.035 20 0 DGADLP COc1ccccc1[C@@H](CNc1cc[nH+]c(C(C)C)n1)[NH+](C)C ZINC000106462503 194217510 /nfs/dbraw/zinc/21/75/10/194217510.db2.gz ROQFXSDUOCZEBY-OAHLLOKOSA-N 2 2 314.433 3.323 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285237344 218346273 /nfs/dbraw/zinc/34/62/73/218346273.db2.gz PNWBIPGUSGGNOF-CRAIPNDOSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cn[nH]c1 ZINC000285237344 218346276 /nfs/dbraw/zinc/34/62/76/218346276.db2.gz PNWBIPGUSGGNOF-CRAIPNDOSA-N 2 2 312.461 3.361 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1SC ZINC000268795617 206963285 /nfs/dbraw/zinc/96/32/85/206963285.db2.gz FSHXADGBNZFUIS-OLZOCXBDSA-N 2 2 305.447 3.353 20 0 DGADLP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268843263 207009169 /nfs/dbraw/zinc/00/91/69/207009169.db2.gz NXNFMOWRONQNLJ-PNHOKKKMSA-N 2 2 319.408 3.181 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000268864200 207034846 /nfs/dbraw/zinc/03/48/46/207034846.db2.gz STKPFKPKSVVVSS-NWDGAFQWSA-N 2 2 317.260 3.101 20 0 DGADLP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268914325 207081307 /nfs/dbraw/zinc/08/13/07/207081307.db2.gz UKBBHXNVBFLQEN-JXFKEZNVSA-N 2 2 321.424 3.431 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000268987582 207144255 /nfs/dbraw/zinc/14/42/55/207144255.db2.gz FMTDMCOZVXLAGS-COXVUDFISA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000268987582 207144258 /nfs/dbraw/zinc/14/42/58/207144258.db2.gz FMTDMCOZVXLAGS-COXVUDFISA-N 2 2 318.461 3.227 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061981481 184199664 /nfs/dbraw/zinc/19/96/64/184199664.db2.gz MTHLUBQVNHDFNM-WFASDCNBSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061981481 184199666 /nfs/dbraw/zinc/19/96/66/184199666.db2.gz MTHLUBQVNHDFNM-WFASDCNBSA-N 2 2 323.278 3.206 20 0 DGADLP Cc1cc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc[nH+]1 ZINC000119690514 195018243 /nfs/dbraw/zinc/01/82/43/195018243.db2.gz UQDQLDQUBNVZAD-UHFFFAOYSA-N 2 2 318.465 3.270 20 0 DGADLP Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC000119757680 195032306 /nfs/dbraw/zinc/03/23/06/195032306.db2.gz NDWICNCUWFVFPC-UHFFFAOYSA-N 2 2 324.428 3.308 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000119974941 195073184 /nfs/dbraw/zinc/07/31/84/195073184.db2.gz XJYKNQWBRMQXRO-ZACQAIPSSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000249401838 285072320 /nfs/dbraw/zinc/07/23/20/285072320.db2.gz VIDHTTDNUBVXBK-WMQCIHAUSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000249401838 285072321 /nfs/dbraw/zinc/07/23/21/285072321.db2.gz VIDHTTDNUBVXBK-WMQCIHAUSA-N 2 2 324.468 3.015 20 0 DGADLP CCO[C@H](C)c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000336837570 253003943 /nfs/dbraw/zinc/00/39/43/253003943.db2.gz OLBRGDZXELLZSJ-CYBMUJFWSA-N 2 2 311.495 3.014 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000336855007 253009112 /nfs/dbraw/zinc/00/91/12/253009112.db2.gz TZFCVGSYTCLYDD-KGLIPLIRSA-N 2 2 324.852 3.074 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000336855007 253009113 /nfs/dbraw/zinc/00/91/13/253009113.db2.gz TZFCVGSYTCLYDD-KGLIPLIRSA-N 2 2 324.852 3.074 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862871 253012249 /nfs/dbraw/zinc/01/22/49/253012249.db2.gz MFAJIWMSISJOFR-HZPDHXFCSA-N 2 2 303.450 3.471 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862871 253012252 /nfs/dbraw/zinc/01/22/52/253012252.db2.gz MFAJIWMSISJOFR-HZPDHXFCSA-N 2 2 303.450 3.471 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000337471881 253122627 /nfs/dbraw/zinc/12/26/27/253122627.db2.gz WBIBYXYSYLONLY-MRXNPFEDSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000337471881 253122630 /nfs/dbraw/zinc/12/26/30/253122630.db2.gz WBIBYXYSYLONLY-MRXNPFEDSA-N 2 2 322.880 3.193 20 0 DGADLP COC1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000337588629 253143766 /nfs/dbraw/zinc/14/37/66/253143766.db2.gz VAQOFYJOGZYVOG-JLAWEPINSA-N 2 2 302.462 3.198 20 0 DGADLP COC1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000337588629 253143768 /nfs/dbraw/zinc/14/37/68/253143768.db2.gz VAQOFYJOGZYVOG-JLAWEPINSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccncc1F ZINC000337944153 253197824 /nfs/dbraw/zinc/19/78/24/253197824.db2.gz AGKSCWMOHJMERN-LBPRGKRZSA-N 2 2 314.339 3.396 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOC(C)C ZINC000270323793 208393779 /nfs/dbraw/zinc/39/37/79/208393779.db2.gz KOEBMQGGMCANJM-INIZCTEOSA-N 2 2 301.434 3.234 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOC(C)C ZINC000270323793 208393782 /nfs/dbraw/zinc/39/37/82/208393782.db2.gz KOEBMQGGMCANJM-INIZCTEOSA-N 2 2 301.434 3.234 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338174363 253236842 /nfs/dbraw/zinc/23/68/42/253236842.db2.gz BBXMNNWNYWRFHR-YJBOKZPZSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174363 253236845 /nfs/dbraw/zinc/23/68/45/253236845.db2.gz BBXMNNWNYWRFHR-YJBOKZPZSA-N 2 2 312.461 3.108 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H]3CCCOC3)ccc2n1C1CC1 ZINC000338459819 253291053 /nfs/dbraw/zinc/29/10/53/253291053.db2.gz RRALOUNCJCKWRV-HNNXBMFYSA-N 2 2 313.445 3.450 20 0 DGADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000270428591 208507462 /nfs/dbraw/zinc/50/74/62/208507462.db2.gz HMICOBUEMRMFOG-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCOC[C@@H]3C)ccc2n1C1CC1 ZINC000338795127 253352923 /nfs/dbraw/zinc/35/29/23/253352923.db2.gz ZBPQLJAEMZYUAH-BBRMVZONSA-N 2 2 313.445 3.448 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000272907366 210295036 /nfs/dbraw/zinc/29/50/36/210295036.db2.gz KXZSKPHNSSIGCN-WMLDXEAASA-N 2 2 308.491 3.092 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750141 296386620 /nfs/dbraw/zinc/38/66/20/296386620.db2.gz ABUHWOSIZVJHAN-FCGDIQPGSA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422750141 296386621 /nfs/dbraw/zinc/38/66/21/296386621.db2.gz ABUHWOSIZVJHAN-FCGDIQPGSA-N 3 2 321.553 3.397 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342601571 254016639 /nfs/dbraw/zinc/01/66/39/254016639.db2.gz WJKNCYYUIYUMOD-CYBMUJFWSA-N 2 2 323.400 3.400 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000342682429 254032133 /nfs/dbraw/zinc/03/21/33/254032133.db2.gz YPBVPXMWSDAYTM-UHFFFAOYSA-N 2 2 306.498 3.022 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000342682429 254032134 /nfs/dbraw/zinc/03/21/34/254032134.db2.gz YPBVPXMWSDAYTM-UHFFFAOYSA-N 2 2 306.498 3.022 20 0 DGADLP Cc1ccc2[nH+]c(CN(CCC[NH3+])c3cccc(F)c3)cn2c1 ZINC000342769449 254046747 /nfs/dbraw/zinc/04/67/47/254046747.db2.gz ROSXMIXWQUUFDO-UHFFFAOYSA-N 2 2 312.392 3.137 20 0 DGADLP Cc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000342788996 254050941 /nfs/dbraw/zinc/05/09/41/254050941.db2.gz ONENCQGZRHTBJS-NEPJUHHUSA-N 2 2 312.255 3.437 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342790455 254051766 /nfs/dbraw/zinc/05/17/66/254051766.db2.gz ZYNSYJBXUUKCDL-UHFFFAOYSA-N 2 2 304.482 3.079 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342790455 254051768 /nfs/dbraw/zinc/05/17/68/254051768.db2.gz ZYNSYJBXUUKCDL-UHFFFAOYSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270621 254122537 /nfs/dbraw/zinc/12/25/37/254122537.db2.gz FJTJMDLVDQYASK-USXIJHARSA-N 2 2 309.523 3.061 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270621 254122538 /nfs/dbraw/zinc/12/25/38/254122538.db2.gz FJTJMDLVDQYASK-USXIJHARSA-N 2 2 309.523 3.061 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034128 254089054 /nfs/dbraw/zinc/08/90/54/254089054.db2.gz MHRQJTOMJCPNBY-FXAWDEMLSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034128 254089055 /nfs/dbraw/zinc/08/90/55/254089055.db2.gz MHRQJTOMJCPNBY-FXAWDEMLSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076990 254095299 /nfs/dbraw/zinc/09/52/99/254095299.db2.gz YOBBQAIQJZUKGK-XLIONFOSSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076990 254095301 /nfs/dbraw/zinc/09/53/01/254095301.db2.gz YOBBQAIQJZUKGK-XLIONFOSSA-N 3 2 315.505 3.102 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000343086639 254097447 /nfs/dbraw/zinc/09/74/47/254097447.db2.gz SSPFXEVYHNNECN-UHFFFAOYSA-N 2 2 318.852 3.018 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000343557065 254160059 /nfs/dbraw/zinc/16/00/59/254160059.db2.gz SCBJXIIBCLFQNM-INIZCTEOSA-N 2 2 312.461 3.412 20 0 DGADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560688 254160328 /nfs/dbraw/zinc/16/03/28/254160328.db2.gz VODBPFZBXMRTRF-FZKQIMNGSA-N 2 2 322.880 3.104 20 0 DGADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560688 254160329 /nfs/dbraw/zinc/16/03/29/254160329.db2.gz VODBPFZBXMRTRF-FZKQIMNGSA-N 2 2 322.880 3.104 20 0 DGADLP Cc1cc[nH+]c(NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000343400162 254138103 /nfs/dbraw/zinc/13/81/03/254138103.db2.gz BUKYFRFLJQFQHS-UHFFFAOYSA-N 2 2 303.450 3.085 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000343456802 254146413 /nfs/dbraw/zinc/14/64/13/254146413.db2.gz OGCWGJRRBHSKPG-SWLSCSKDSA-N 2 2 323.362 3.438 20 0 DGADLP CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CCn1cc[nH+]c1 ZINC000343620472 254168405 /nfs/dbraw/zinc/16/84/05/254168405.db2.gz YTNPCUWRSKFUMF-MRXNPFEDSA-N 2 2 305.397 3.106 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343868175 254197952 /nfs/dbraw/zinc/19/79/52/254197952.db2.gz WIRMGVLVXRBICP-SECBINFHSA-N 2 2 307.385 3.297 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(CC)CC ZINC000344082492 254222466 /nfs/dbraw/zinc/22/24/66/254222466.db2.gz IHTBBKQBXCOVJJ-IRXDYDNUSA-N 2 2 319.493 3.335 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C)CCC2 ZINC000344108403 254226509 /nfs/dbraw/zinc/22/65/09/254226509.db2.gz RNPKFEFNGSQWLK-YESZJQIVSA-N 2 2 319.493 3.498 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000344194920 254237808 /nfs/dbraw/zinc/23/78/08/254237808.db2.gz IAFIQTUEIJMMSE-PBHICJAKSA-N 2 2 304.482 3.040 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000344194920 254237810 /nfs/dbraw/zinc/23/78/10/254237810.db2.gz IAFIQTUEIJMMSE-PBHICJAKSA-N 2 2 304.482 3.040 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)C1 ZINC000344280399 254250243 /nfs/dbraw/zinc/25/02/43/254250243.db2.gz WIEVFUYGDMSZHK-CRAIPNDOSA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)C1 ZINC000344280399 254250244 /nfs/dbraw/zinc/25/02/44/254250244.db2.gz WIEVFUYGDMSZHK-CRAIPNDOSA-N 2 2 302.462 3.047 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@@H+]1C ZINC000344615358 254288914 /nfs/dbraw/zinc/28/89/14/254288914.db2.gz FYMCQPLYJXSPJP-MFKMUULPSA-N 2 2 304.331 3.417 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[N@H+]1C ZINC000344615358 254288916 /nfs/dbraw/zinc/28/89/16/254288916.db2.gz FYMCQPLYJXSPJP-MFKMUULPSA-N 2 2 304.331 3.417 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@@H+]1C ZINC000344320424 254256176 /nfs/dbraw/zinc/25/61/76/254256176.db2.gz CJAJMOIRHPHDSI-LRDDRELGSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@H+]1C ZINC000344320424 254256178 /nfs/dbraw/zinc/25/61/78/254256178.db2.gz CJAJMOIRHPHDSI-LRDDRELGSA-N 2 2 303.837 3.461 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000344332460 254257917 /nfs/dbraw/zinc/25/79/17/254257917.db2.gz QADQTRDUPUQXPO-COJSNBRMSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000344332460 254257918 /nfs/dbraw/zinc/25/79/18/254257918.db2.gz QADQTRDUPUQXPO-COJSNBRMSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000344332463 254257986 /nfs/dbraw/zinc/25/79/86/254257986.db2.gz QADQTRDUPUQXPO-NUXNZHGMSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000344332463 254257988 /nfs/dbraw/zinc/25/79/88/254257988.db2.gz QADQTRDUPUQXPO-NUXNZHGMSA-N 2 2 306.425 3.117 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000344357316 254261537 /nfs/dbraw/zinc/26/15/37/254261537.db2.gz NRLPPSBPDGEQBD-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000344545660 254281548 /nfs/dbraw/zinc/28/15/48/254281548.db2.gz SGFMCMBXEBJECP-LBPRGKRZSA-N 2 2 305.809 3.212 20 0 DGADLP COc1ccc([C@@H](Nc2cc[nH+]c(C)c2)c2[nH+]ccn2C)cc1 ZINC000302332772 533134117 /nfs/dbraw/zinc/13/41/17/533134117.db2.gz UQRAUTIXOLKWGG-QGZVFWFLSA-N 2 2 308.385 3.334 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C(C)C ZINC000344737249 254301045 /nfs/dbraw/zinc/30/10/45/254301045.db2.gz BHRRBYGLVPOEBJ-YTQUADARSA-N 2 2 304.478 3.158 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000344737249 254301046 /nfs/dbraw/zinc/30/10/46/254301046.db2.gz BHRRBYGLVPOEBJ-YTQUADARSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c[nH+]1 ZINC000344828068 254309420 /nfs/dbraw/zinc/30/94/20/254309420.db2.gz MJOXKHWZONVKJO-MRXNPFEDSA-N 2 2 312.417 3.073 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c[nH+]1 ZINC000344828068 254309423 /nfs/dbraw/zinc/30/94/23/254309423.db2.gz MJOXKHWZONVKJO-MRXNPFEDSA-N 2 2 312.417 3.073 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(CO)c1 ZINC000345192067 254339540 /nfs/dbraw/zinc/33/95/40/254339540.db2.gz XVIGZUZTKZAWGO-OAHLLOKOSA-N 2 2 307.397 3.215 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1csc(Cl)c1 ZINC000345282126 254349118 /nfs/dbraw/zinc/34/91/18/254349118.db2.gz YNOJWOGZOSQBGD-NWDGAFQWSA-N 2 2 302.871 3.163 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345767054 254395197 /nfs/dbraw/zinc/39/51/97/254395197.db2.gz GSZBLWFMDCNDLC-STQMWFEESA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000345767054 254395199 /nfs/dbraw/zinc/39/51/99/254395199.db2.gz GSZBLWFMDCNDLC-STQMWFEESA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345767054 254395200 /nfs/dbraw/zinc/39/52/00/254395200.db2.gz GSZBLWFMDCNDLC-STQMWFEESA-N 2 2 320.462 3.133 20 0 DGADLP Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc[nH+]cc3C)CC2)c1 ZINC000120347417 195148617 /nfs/dbraw/zinc/14/86/17/195148617.db2.gz SWBXXRZZIXQXBB-UHFFFAOYSA-N 2 2 324.428 3.048 20 0 DGADLP Cc1cnc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000295918961 285263984 /nfs/dbraw/zinc/26/39/84/285263984.db2.gz ZXUQHWBPSKEWBN-CQSZACIVSA-N 2 2 316.474 3.162 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507043 285269165 /nfs/dbraw/zinc/26/91/65/285269165.db2.gz CHLRVKQGORVHOJ-KCITZHQASA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507043 285269166 /nfs/dbraw/zinc/26/91/66/285269166.db2.gz CHLRVKQGORVHOJ-KCITZHQASA-N 2 2 324.472 3.389 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000120649619 195208673 /nfs/dbraw/zinc/20/86/73/195208673.db2.gz CURYBOAFNDCSDO-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc[nH+]cc1C)CC(C)C ZINC000120739313 195227649 /nfs/dbraw/zinc/22/76/49/195227649.db2.gz JULQJOAMCGOLPS-HNNXBMFYSA-N 2 2 306.454 3.268 20 0 DGADLP CC[N@H+](C)CCNc1cc[nH+]c2c(Br)cccc12 ZINC000301981709 285276753 /nfs/dbraw/zinc/27/67/53/285276753.db2.gz JEPNOZAUYMMIIO-UHFFFAOYSA-N 2 2 308.223 3.361 20 0 DGADLP CC[N@@H+](C)CCNc1cc[nH+]c2c(Br)cccc12 ZINC000301981709 285276758 /nfs/dbraw/zinc/27/67/58/285276758.db2.gz JEPNOZAUYMMIIO-UHFFFAOYSA-N 2 2 308.223 3.361 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000120706152 195220418 /nfs/dbraw/zinc/22/04/18/195220418.db2.gz UQIMPLMKONLZNB-OAHLLOKOSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000120706152 195220420 /nfs/dbraw/zinc/22/04/20/195220420.db2.gz UQIMPLMKONLZNB-OAHLLOKOSA-N 2 2 304.438 3.166 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152243489 196794880 /nfs/dbraw/zinc/79/48/80/196794880.db2.gz WWLCYXPQQBGFHY-LJQANCHMSA-N 2 2 321.424 3.220 20 0 DGADLP C[N@H+](Cc1ccc(Br)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289557836 221066723 /nfs/dbraw/zinc/06/67/23/221066723.db2.gz IWMUVJBKJCCRMP-FOSCPWQOSA-N 2 2 313.239 3.099 20 0 DGADLP C[N@@H+](Cc1ccc(Br)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289557836 221066725 /nfs/dbraw/zinc/06/67/25/221066725.db2.gz IWMUVJBKJCCRMP-FOSCPWQOSA-N 2 2 313.239 3.099 20 0 DGADLP C[NH+](Cc1ccc(Br)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289557836 221066727 /nfs/dbraw/zinc/06/67/27/221066727.db2.gz IWMUVJBKJCCRMP-FOSCPWQOSA-N 2 2 313.239 3.099 20 0 DGADLP C[NH+](Cc1ccc(Br)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289557836 221066729 /nfs/dbraw/zinc/06/67/29/221066729.db2.gz IWMUVJBKJCCRMP-FOSCPWQOSA-N 2 2 313.239 3.099 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cccc(C(F)(F)F)n3)n2c1 ZINC000294871985 224277592 /nfs/dbraw/zinc/27/75/92/224277592.db2.gz UUUITLPFVZPYFV-UHFFFAOYSA-N 2 2 320.318 3.346 20 0 DGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000289986646 221362085 /nfs/dbraw/zinc/36/20/85/221362085.db2.gz SAVWCRJNPPAMFX-UHFFFAOYSA-N 2 2 313.232 3.046 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)c1 ZINC000352535019 285353068 /nfs/dbraw/zinc/35/30/68/285353068.db2.gz LICRKQGCWNTUHS-INIZCTEOSA-N 2 2 319.499 3.447 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)c1 ZINC000352535019 285353073 /nfs/dbraw/zinc/35/30/73/285353073.db2.gz LICRKQGCWNTUHS-INIZCTEOSA-N 2 2 319.499 3.447 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000121552335 195306921 /nfs/dbraw/zinc/30/69/21/195306921.db2.gz IHEVNZUTFBCYQF-GXTWGEPZSA-N 2 2 303.431 3.120 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000121552335 195306923 /nfs/dbraw/zinc/30/69/23/195306923.db2.gz IHEVNZUTFBCYQF-GXTWGEPZSA-N 2 2 303.431 3.120 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121722929 195335396 /nfs/dbraw/zinc/33/53/96/195335396.db2.gz HDVUBMGZTARDFK-RDJZCZTQSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121722929 195335398 /nfs/dbraw/zinc/33/53/98/195335398.db2.gz HDVUBMGZTARDFK-RDJZCZTQSA-N 2 2 324.428 3.175 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C3CC3)cs2)c1 ZINC000430578594 533375581 /nfs/dbraw/zinc/37/55/81/533375581.db2.gz AYXAOCALGVWKIA-QGZVFWFLSA-N 2 2 317.458 3.036 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nc(C(F)(F)F)cs1 ZINC000427877218 533547601 /nfs/dbraw/zinc/54/76/01/533547601.db2.gz ODXUMIIOUAAFFG-BDAKNGLRSA-N 2 2 316.352 3.024 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)sc1Br ZINC000415120917 533627005 /nfs/dbraw/zinc/62/70/05/533627005.db2.gz GPZNYVGYXWXRBL-GXSJLCMTSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)sc1Br ZINC000415120917 533627011 /nfs/dbraw/zinc/62/70/11/533627011.db2.gz GPZNYVGYXWXRBL-GXSJLCMTSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c(C)s1 ZINC000415124317 533633270 /nfs/dbraw/zinc/63/32/70/533633270.db2.gz MNUHBRHQCDDQTD-DLBZAZTESA-N 2 2 304.434 3.431 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c(C)s1 ZINC000415124317 533633277 /nfs/dbraw/zinc/63/32/77/533633277.db2.gz MNUHBRHQCDDQTD-DLBZAZTESA-N 2 2 304.434 3.431 20 0 DGADLP COCCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090171949 545822128 /nfs/dbraw/zinc/82/21/28/545822128.db2.gz LAKUUIQIAHUUOC-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP COCCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090171949 545822134 /nfs/dbraw/zinc/82/21/34/545822134.db2.gz LAKUUIQIAHUUOC-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CC(C)[C@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187704 545824863 /nfs/dbraw/zinc/82/48/63/545824863.db2.gz NYERZWHRWLJVLJ-ROUUACIJSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187704 545824866 /nfs/dbraw/zinc/82/48/66/545824866.db2.gz NYERZWHRWLJVLJ-ROUUACIJSA-N 2 2 304.478 3.036 20 0 DGADLP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180168272 292066161 /nfs/dbraw/zinc/06/61/61/292066161.db2.gz SJBNTBYGWCMLAZ-GFCCVEGCSA-N 2 2 310.404 3.196 20 0 DGADLP Cc1[nH+]ccc(NCCCc2[nH]c3ccccc3[nH+]2)c1Cl ZINC000357321191 285713853 /nfs/dbraw/zinc/71/38/53/285713853.db2.gz FKVLGHWPYNVHGC-UHFFFAOYSA-N 2 2 300.793 3.386 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000584760115 400099109 /nfs/dbraw/zinc/09/91/09/400099109.db2.gz DYPKDWRCVFRMRO-MRXNPFEDSA-N 2 2 304.478 3.269 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000584774220 400101292 /nfs/dbraw/zinc/10/12/92/400101292.db2.gz HHBCBEHWYHYZFP-SFHVURJKSA-N 2 2 319.399 3.427 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091312407 400111638 /nfs/dbraw/zinc/11/16/38/400111638.db2.gz WMUBVXKSKFNOHN-RYUDHWBXSA-N 2 2 308.857 3.218 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCCCO)CC1 ZINC000093300935 400237242 /nfs/dbraw/zinc/23/72/42/400237242.db2.gz CXZICNAFGJBSKG-UHFFFAOYSA-N 2 2 315.461 3.398 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000351223022 400241355 /nfs/dbraw/zinc/24/13/55/400241355.db2.gz BGFVTPBBVCINRL-KRWDZBQOSA-N 2 2 318.396 3.033 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000351223022 400241364 /nfs/dbraw/zinc/24/13/64/400241364.db2.gz BGFVTPBBVCINRL-KRWDZBQOSA-N 2 2 318.396 3.033 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000389849791 400269517 /nfs/dbraw/zinc/26/95/17/400269517.db2.gz UJSGNVXQRUHYDR-YVWKXTFCSA-N 2 2 322.452 3.273 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000389849791 400269525 /nfs/dbraw/zinc/26/95/25/400269525.db2.gz UJSGNVXQRUHYDR-YVWKXTFCSA-N 2 2 322.452 3.273 20 0 DGADLP C[C@@]1([NH2+]Cc2cnn3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000406018563 400300371 /nfs/dbraw/zinc/30/03/71/400300371.db2.gz ZYCMVZPVMVGKNL-HXUWFJFHSA-N 2 2 320.440 3.089 20 0 DGADLP C[C@@]1([NH2+]Cc2cnn3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000406018563 400300375 /nfs/dbraw/zinc/30/03/75/400300375.db2.gz ZYCMVZPVMVGKNL-HXUWFJFHSA-N 2 2 320.440 3.089 20 0 DGADLP Cc1cccn2c(C[NH2+]CCCCC(=O)OC(C)(C)C)c[nH+]c12 ZINC000611346589 400382581 /nfs/dbraw/zinc/38/25/81/400382581.db2.gz UDKCSDPPFWIPMG-UHFFFAOYSA-N 2 2 317.433 3.244 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000071145946 400369837 /nfs/dbraw/zinc/36/98/37/400369837.db2.gz OHVOHJLQSZRZGM-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000071145946 400369841 /nfs/dbraw/zinc/36/98/41/400369841.db2.gz OHVOHJLQSZRZGM-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000074428094 400511481 /nfs/dbraw/zinc/51/14/81/400511481.db2.gz NNXVYECCVJTMNN-HNNXBMFYSA-N 2 2 312.417 3.075 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc(C)[nH+]1 ZINC000043533046 400470346 /nfs/dbraw/zinc/47/03/46/400470346.db2.gz ZQEHBENELTWEHM-UHFFFAOYSA-N 2 2 322.865 3.131 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612070195 400485927 /nfs/dbraw/zinc/48/59/27/400485927.db2.gz MXBMQCOPRLGRJQ-OAHLLOKOSA-N 2 2 307.438 3.032 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612070195 400485931 /nfs/dbraw/zinc/48/59/31/400485931.db2.gz MXBMQCOPRLGRJQ-OAHLLOKOSA-N 2 2 307.438 3.032 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156732507 400713863 /nfs/dbraw/zinc/71/38/63/400713863.db2.gz PLELWFHGYNRMFR-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156732507 400713866 /nfs/dbraw/zinc/71/38/66/400713866.db2.gz PLELWFHGYNRMFR-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)c3ccccc3)CC2)c1 ZINC000604885465 400812235 /nfs/dbraw/zinc/81/22/35/400812235.db2.gz RGHDYMCNLYAGOT-MRXNPFEDSA-N 2 2 311.429 3.016 20 0 DGADLP Cn1nc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000604770792 400803590 /nfs/dbraw/zinc/80/35/90/400803590.db2.gz HFYYZYLRLQPMQJ-QGZVFWFLSA-N 2 2 302.466 3.029 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cscn3)CC2)c2ccccc2[nH+]1 ZINC000054981606 400846352 /nfs/dbraw/zinc/84/63/52/400846352.db2.gz VVNQFWGQHLRCIT-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP CN(c1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000208135165 400941949 /nfs/dbraw/zinc/94/19/49/400941949.db2.gz UKJRPQVURCWTIS-MRXNPFEDSA-N 2 2 321.428 3.059 20 0 DGADLP CN(c1[nH+]cnc2[nH]ccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000208135165 400941955 /nfs/dbraw/zinc/94/19/55/400941955.db2.gz UKJRPQVURCWTIS-MRXNPFEDSA-N 2 2 321.428 3.059 20 0 DGADLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000079944676 400907224 /nfs/dbraw/zinc/90/72/24/400907224.db2.gz SLEQRPXIFUEOAG-UHFFFAOYSA-N 2 2 315.392 3.306 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC000629536144 400963407 /nfs/dbraw/zinc/96/34/07/400963407.db2.gz GXKGQODGALHMFU-UGSOOPFHSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC000629536144 400963415 /nfs/dbraw/zinc/96/34/15/400963415.db2.gz GXKGQODGALHMFU-UGSOOPFHSA-N 2 2 315.392 3.042 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000629541180 400966796 /nfs/dbraw/zinc/96/67/96/400966796.db2.gz WWXVINFGMDCAGR-AAEUAGOBSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000629541180 400966798 /nfs/dbraw/zinc/96/67/98/400966798.db2.gz WWXVINFGMDCAGR-AAEUAGOBSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555762 400973253 /nfs/dbraw/zinc/97/32/53/400973253.db2.gz CIRRHEIIWVEJEL-SRCQZFHVSA-N 2 2 308.853 3.074 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000629651001 401018544 /nfs/dbraw/zinc/01/85/44/401018544.db2.gz FWTMVDFNYQKNMG-UHFFFAOYSA-N 2 2 301.415 3.337 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000629651001 401018550 /nfs/dbraw/zinc/01/85/50/401018550.db2.gz FWTMVDFNYQKNMG-UHFFFAOYSA-N 2 2 301.415 3.337 20 0 DGADLP c1cc(-c2ccc(N3CCCC3)[nH+]c2)cc([C@@H]2C[NH2+]CCO2)c1 ZINC000629710654 401053250 /nfs/dbraw/zinc/05/32/50/401053250.db2.gz WHVSMVWVPKNNQU-SFHVURJKSA-N 2 2 309.413 3.010 20 0 DGADLP c1cc(-c2ccc(N3CCCC3)[nH+]c2)cc([C@H]2C[NH2+]CCO2)c1 ZINC000629710653 401053418 /nfs/dbraw/zinc/05/34/18/401053418.db2.gz WHVSMVWVPKNNQU-GOSISDBHSA-N 2 2 309.413 3.010 20 0 DGADLP Cc1c(C[C@H](C[NH3+])CO)cccc1-c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000629709468 401054228 /nfs/dbraw/zinc/05/42/28/401054228.db2.gz YMNPEZGBANHSSC-OAHLLOKOSA-N 2 2 321.424 3.162 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000599659748 401106109 /nfs/dbraw/zinc/10/61/09/401106109.db2.gz IESYYEVGZSTDNG-OAHLLOKOSA-N 2 2 320.477 3.300 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000599659748 401106115 /nfs/dbraw/zinc/10/61/15/401106115.db2.gz IESYYEVGZSTDNG-OAHLLOKOSA-N 2 2 320.477 3.300 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc[nH+]1 ZINC000081721895 401091187 /nfs/dbraw/zinc/09/11/87/401091187.db2.gz CNIZKWQVWSGCNQ-KRWDZBQOSA-N 2 2 313.376 3.132 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc[nH+]1 ZINC000081721895 401091190 /nfs/dbraw/zinc/09/11/90/401091190.db2.gz CNIZKWQVWSGCNQ-KRWDZBQOSA-N 2 2 313.376 3.132 20 0 DGADLP Cc1ccc2ccccc2c1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625550059 401152783 /nfs/dbraw/zinc/15/27/83/401152783.db2.gz SIZOFINMJYPZES-UHFFFAOYSA-N 2 2 324.468 3.445 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000358257574 286013034 /nfs/dbraw/zinc/01/30/34/286013034.db2.gz USUOKCYXURVLEZ-CYBMUJFWSA-N 2 2 318.392 3.440 20 0 DGADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258246 286013074 /nfs/dbraw/zinc/01/30/74/286013074.db2.gz SOUFGRGSVUVRLV-CABCVRRESA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258246 286013075 /nfs/dbraw/zinc/01/30/75/286013075.db2.gz SOUFGRGSVUVRLV-CABCVRRESA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000085688690 401173604 /nfs/dbraw/zinc/17/36/04/401173604.db2.gz YJILNVPUQWYSKA-QGZVFWFLSA-N 2 2 318.424 3.341 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000085688690 401173612 /nfs/dbraw/zinc/17/36/12/401173612.db2.gz YJILNVPUQWYSKA-QGZVFWFLSA-N 2 2 318.424 3.341 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625655536 401174530 /nfs/dbraw/zinc/17/45/30/401174530.db2.gz OIVBUBLZLDJHKX-HNNXBMFYSA-N 2 2 305.372 3.349 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625655536 401174537 /nfs/dbraw/zinc/17/45/37/401174537.db2.gz OIVBUBLZLDJHKX-HNNXBMFYSA-N 2 2 305.372 3.349 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000594955602 401205112 /nfs/dbraw/zinc/20/51/12/401205112.db2.gz CRGOXRYOAZUUKJ-GVDBMIGSSA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000594955602 401205119 /nfs/dbraw/zinc/20/51/19/401205119.db2.gz CRGOXRYOAZUUKJ-GVDBMIGSSA-N 2 2 324.509 3.351 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000088693865 401205812 /nfs/dbraw/zinc/20/58/12/401205812.db2.gz UANQAKKRDCPRDQ-JXFKEZNVSA-N 2 2 310.441 3.045 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000088693865 401205816 /nfs/dbraw/zinc/20/58/16/401205816.db2.gz UANQAKKRDCPRDQ-JXFKEZNVSA-N 2 2 310.441 3.045 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000358341942 286036818 /nfs/dbraw/zinc/03/68/18/286036818.db2.gz DQBUFYLOFOMBBJ-LPHOPBHVSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000090046854 401250075 /nfs/dbraw/zinc/25/00/75/401250075.db2.gz FRXXTAAPRNYQCS-STQMWFEESA-N 2 2 314.832 3.241 20 0 DGADLP O[C@@]1(C[N@@H+]2CC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646688 401326595 /nfs/dbraw/zinc/32/65/95/401326595.db2.gz JCQVSKHBZUFHNL-RTWAWAEBSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@@]1(C[N@H+]2CC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646688 401326597 /nfs/dbraw/zinc/32/65/97/401326597.db2.gz JCQVSKHBZUFHNL-RTWAWAEBSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@@]1(C[NH+]2CC[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646688 401326601 /nfs/dbraw/zinc/32/66/01/401326601.db2.gz JCQVSKHBZUFHNL-RTWAWAEBSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@@]1(C[NH+]2CC[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646688 401326602 /nfs/dbraw/zinc/32/66/02/401326602.db2.gz JCQVSKHBZUFHNL-RTWAWAEBSA-N 2 2 322.452 3.070 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000634679810 401332398 /nfs/dbraw/zinc/33/23/98/401332398.db2.gz DLNIDTGXPHUOIM-IRXDYDNUSA-N 2 2 313.445 3.251 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004811 401335329 /nfs/dbraw/zinc/33/53/29/401335329.db2.gz VGPBBWONXZVLOO-KDOFPFPSSA-N 2 2 319.880 3.253 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004811 401335331 /nfs/dbraw/zinc/33/53/31/401335331.db2.gz VGPBBWONXZVLOO-KDOFPFPSSA-N 2 2 319.880 3.253 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000358388255 286048275 /nfs/dbraw/zinc/04/82/75/286048275.db2.gz CFXKDRAQUFGPPF-MJGOQNOKSA-N 2 2 324.472 3.227 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000358388255 286048277 /nfs/dbraw/zinc/04/82/77/286048277.db2.gz CFXKDRAQUFGPPF-MJGOQNOKSA-N 2 2 324.472 3.227 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000358388254 286048280 /nfs/dbraw/zinc/04/82/80/286048280.db2.gz CFXKDRAQUFGPPF-IEBWSBKVSA-N 2 2 324.472 3.227 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000358388254 286048282 /nfs/dbraw/zinc/04/82/82/286048282.db2.gz CFXKDRAQUFGPPF-IEBWSBKVSA-N 2 2 324.472 3.227 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000621777467 401298950 /nfs/dbraw/zinc/29/89/50/401298950.db2.gz CQWVIZKTWXKRAO-QFBILLFUSA-N 2 2 300.446 3.128 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000621777467 401298953 /nfs/dbraw/zinc/29/89/53/401298953.db2.gz CQWVIZKTWXKRAO-QFBILLFUSA-N 2 2 300.446 3.128 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781939 401299183 /nfs/dbraw/zinc/29/91/83/401299183.db2.gz KHISMXNMKHFIHS-DYVFJYSZSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781939 401299187 /nfs/dbraw/zinc/29/91/87/401299187.db2.gz KHISMXNMKHFIHS-DYVFJYSZSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780109 401299292 /nfs/dbraw/zinc/29/92/92/401299292.db2.gz NNMKEVKWBBWLOK-GUYCJALGSA-N 2 2 317.820 3.308 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780109 401299300 /nfs/dbraw/zinc/29/93/00/401299300.db2.gz NNMKEVKWBBWLOK-GUYCJALGSA-N 2 2 317.820 3.308 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781556 401299483 /nfs/dbraw/zinc/29/94/83/401299483.db2.gz GHCLOEFGSQRTGT-CXAGYDPISA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781556 401299485 /nfs/dbraw/zinc/29/94/85/401299485.db2.gz GHCLOEFGSQRTGT-CXAGYDPISA-N 2 2 301.821 3.201 20 0 DGADLP COC1CC[NH+](CC[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631086338 401388592 /nfs/dbraw/zinc/38/85/92/401388592.db2.gz UQTCNOYYBZGLAL-UHFFFAOYSA-N 2 2 316.420 3.179 20 0 DGADLP c1ccc(NCCCC[NH2+]Cc2ccc3nccnc3c2)[nH+]c1 ZINC000634958942 401389125 /nfs/dbraw/zinc/38/91/25/401389125.db2.gz CYTCWHBVHOFQQO-UHFFFAOYSA-N 2 2 307.401 3.007 20 0 DGADLP [NH3+]C1CCC([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000635020900 401405307 /nfs/dbraw/zinc/40/53/07/401405307.db2.gz NMXGDGOGGMSJDX-SOAGJPPSSA-N 3 2 315.505 3.291 20 0 DGADLP [NH3+]C1CCC([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000635020900 401405311 /nfs/dbraw/zinc/40/53/11/401405311.db2.gz NMXGDGOGGMSJDX-SOAGJPPSSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)c[nH+]c12 ZINC000631186263 401419788 /nfs/dbraw/zinc/41/97/88/401419788.db2.gz YJGYZMZTRDDRFO-MSOLQXFVSA-N 2 2 307.397 3.263 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631195076 401422604 /nfs/dbraw/zinc/42/26/04/401422604.db2.gz BBGCIMBPCXIRDW-PBHICJAKSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cs1 ZINC000631195076 401422608 /nfs/dbraw/zinc/42/26/08/401422608.db2.gz BBGCIMBPCXIRDW-PBHICJAKSA-N 2 2 315.486 3.309 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccncc1F ZINC000631194784 401423011 /nfs/dbraw/zinc/42/30/11/401423011.db2.gz PNMNWUAEUOLAID-QAPCUYQASA-N 2 2 313.420 3.078 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccncc1F ZINC000631194784 401423012 /nfs/dbraw/zinc/42/30/12/401423012.db2.gz PNMNWUAEUOLAID-QAPCUYQASA-N 2 2 313.420 3.078 20 0 DGADLP CCC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000631200450 401424526 /nfs/dbraw/zinc/42/45/26/401424526.db2.gz UDYDKIULBFTTKG-INIZCTEOSA-N 2 2 324.896 3.445 20 0 DGADLP CCC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000631197915 401424646 /nfs/dbraw/zinc/42/46/46/401424646.db2.gz GCHFSXTZZPQRBI-KRWDZBQOSA-N 2 2 324.896 3.445 20 0 DGADLP Fc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1F ZINC000631205465 401425776 /nfs/dbraw/zinc/42/57/76/401425776.db2.gz BDIGJPGSAACRKB-UHFFFAOYSA-N 2 2 322.321 3.471 20 0 DGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635494578 401448586 /nfs/dbraw/zinc/44/85/86/401448586.db2.gz JLJSXVKFFNHXNU-INIZCTEOSA-N 2 2 310.401 3.032 20 0 DGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635494578 401448587 /nfs/dbraw/zinc/44/85/87/401448587.db2.gz JLJSXVKFFNHXNU-INIZCTEOSA-N 2 2 310.401 3.032 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[C@H]1CC2CCC1CC2 ZINC000623015179 401454177 /nfs/dbraw/zinc/45/41/77/401454177.db2.gz LCFAGGQKPBGVER-CLCLNWBTSA-N 2 2 317.477 3.445 20 0 DGADLP CCc1nc(N2CCC(CC)([NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC000631451083 401472786 /nfs/dbraw/zinc/47/27/86/401472786.db2.gz ZGFKBZAGUOOYAV-UHFFFAOYSA-N 2 2 302.466 3.192 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000623413510 401511956 /nfs/dbraw/zinc/51/19/56/401511956.db2.gz YCNKJDPNCXSCLO-OAHLLOKOSA-N 2 2 308.429 3.173 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000623413510 401511957 /nfs/dbraw/zinc/51/19/57/401511957.db2.gz YCNKJDPNCXSCLO-OAHLLOKOSA-N 2 2 308.429 3.173 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000631654125 401525462 /nfs/dbraw/zinc/52/54/62/401525462.db2.gz DXMRCLWKQMAGBF-HZCDGDGTSA-N 2 2 320.864 3.385 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000631654125 401525464 /nfs/dbraw/zinc/52/54/64/401525464.db2.gz DXMRCLWKQMAGBF-HZCDGDGTSA-N 2 2 320.864 3.385 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000631654128 401525521 /nfs/dbraw/zinc/52/55/21/401525521.db2.gz DXMRCLWKQMAGBF-XGWTYTTDSA-N 2 2 320.864 3.385 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000631654128 401525522 /nfs/dbraw/zinc/52/55/22/401525522.db2.gz DXMRCLWKQMAGBF-XGWTYTTDSA-N 2 2 320.864 3.385 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884539 401564024 /nfs/dbraw/zinc/56/40/24/401564024.db2.gz KRTHBZCDNYVSPK-UKRRQHHQSA-N 2 2 309.251 3.023 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884539 401564026 /nfs/dbraw/zinc/56/40/26/401564026.db2.gz KRTHBZCDNYVSPK-UKRRQHHQSA-N 2 2 309.251 3.023 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623923096 401600014 /nfs/dbraw/zinc/60/00/14/401600014.db2.gz SMSCALPBQURGMA-HUUCEWRRSA-N 2 2 307.507 3.478 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623923096 401600016 /nfs/dbraw/zinc/60/00/16/401600016.db2.gz SMSCALPBQURGMA-HUUCEWRRSA-N 2 2 307.507 3.478 20 0 DGADLP Cc1[nH]c(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[nH+]c1C ZINC000628186566 401544804 /nfs/dbraw/zinc/54/48/04/401544804.db2.gz OMYZDNFXZDMETO-HNNXBMFYSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628253524 401560871 /nfs/dbraw/zinc/56/08/71/401560871.db2.gz LYTORENPPJRFOE-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859346 401561546 /nfs/dbraw/zinc/56/15/46/401561546.db2.gz MVCIIPMHNRNEGQ-LPHOPBHVSA-N 2 2 310.441 3.214 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859346 401561547 /nfs/dbraw/zinc/56/15/47/401561547.db2.gz MVCIIPMHNRNEGQ-LPHOPBHVSA-N 2 2 310.441 3.214 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100799 401626275 /nfs/dbraw/zinc/62/62/75/401626275.db2.gz IIHUVBSMSCGZRF-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100799 401626276 /nfs/dbraw/zinc/62/62/76/401626276.db2.gz IIHUVBSMSCGZRF-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230938 401641874 /nfs/dbraw/zinc/64/18/74/401641874.db2.gz LHWMNKUTUGXFQI-BPQIPLTHSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230938 401641876 /nfs/dbraw/zinc/64/18/76/401641876.db2.gz LHWMNKUTUGXFQI-BPQIPLTHSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624270322 401645680 /nfs/dbraw/zinc/64/56/80/401645680.db2.gz IIHUVBSMSCGZRF-WFASDCNBSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624270322 401645682 /nfs/dbraw/zinc/64/56/82/401645682.db2.gz IIHUVBSMSCGZRF-WFASDCNBSA-N 2 2 300.368 3.320 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2sccc2C)CC1 ZINC000628475992 401603602 /nfs/dbraw/zinc/60/36/02/401603602.db2.gz UDUATFZOIUGYJW-UHFFFAOYSA-N 2 2 308.491 3.133 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCOC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000192519641 292202563 /nfs/dbraw/zinc/20/25/63/292202563.db2.gz NOEMHRCMXDVWOW-YTQUADARSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000295153018 292202633 /nfs/dbraw/zinc/20/26/33/292202633.db2.gz JTNGPHRNAZSYRZ-ZWKOTPCHSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(Cl)c1 ZINC000629395426 401683902 /nfs/dbraw/zinc/68/39/02/401683902.db2.gz CUKRLNRDXZNKRN-MELADBBJSA-N 2 2 323.868 3.096 20 0 DGADLP Cc1cc(C)n(CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000358621021 286109964 /nfs/dbraw/zinc/10/99/64/286109964.db2.gz QSGPFORPVCBZNI-UHFFFAOYSA-N 2 2 314.477 3.000 20 0 DGADLP Cc1cc(C)n(CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000358621021 286109967 /nfs/dbraw/zinc/10/99/67/286109967.db2.gz QSGPFORPVCBZNI-UHFFFAOYSA-N 2 2 314.477 3.000 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000358660480 286118052 /nfs/dbraw/zinc/11/80/52/286118052.db2.gz GLGGFZPCRCTWPB-NEPXVJNWSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000358660480 286118055 /nfs/dbraw/zinc/11/80/55/286118055.db2.gz GLGGFZPCRCTWPB-NEPXVJNWSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCOC1 ZINC000358708125 286129206 /nfs/dbraw/zinc/12/92/06/286129206.db2.gz APVRCGBFBUACJG-GOSISDBHSA-N 2 2 322.880 3.321 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336239 292230277 /nfs/dbraw/zinc/23/02/77/292230277.db2.gz LAEORSGALYMKTL-CJNGLKHVSA-N 2 2 316.449 3.361 20 0 DGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336239 292230280 /nfs/dbraw/zinc/23/02/80/292230280.db2.gz LAEORSGALYMKTL-CJNGLKHVSA-N 2 2 316.449 3.361 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000359014642 286215519 /nfs/dbraw/zinc/21/55/19/286215519.db2.gz BMKBALJNCYNTEQ-ILZDJORESA-N 2 2 316.489 3.097 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000359014642 286215520 /nfs/dbraw/zinc/21/55/20/286215520.db2.gz BMKBALJNCYNTEQ-ILZDJORESA-N 2 2 316.489 3.097 20 0 DGADLP CCn1c2ccccc2[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000359028446 286218876 /nfs/dbraw/zinc/21/88/76/286218876.db2.gz BBLGVZOPCQADLR-UHFFFAOYSA-N 2 2 317.396 3.276 20 0 DGADLP CC(C)COCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000359118273 286241278 /nfs/dbraw/zinc/24/12/78/286241278.db2.gz VBLUOTNEQVJDRN-UHFFFAOYSA-N 2 2 310.404 3.056 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263854 286271549 /nfs/dbraw/zinc/27/15/49/286271549.db2.gz OORSKOXQXYPPPE-WMLDXEAASA-N 2 2 317.433 3.304 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263854 286271551 /nfs/dbraw/zinc/27/15/51/286271551.db2.gz OORSKOXQXYPPPE-WMLDXEAASA-N 2 2 317.433 3.304 20 0 DGADLP CCc1cnccc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000359336252 286287267 /nfs/dbraw/zinc/28/72/67/286287267.db2.gz VRKMPVYYWHHSKW-OAHLLOKOSA-N 2 2 310.445 3.359 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000124994091 292256184 /nfs/dbraw/zinc/25/61/84/292256184.db2.gz OMRTUSFPZTYXRM-QRQLOZEOSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523149 286326143 /nfs/dbraw/zinc/32/61/43/286326143.db2.gz GQESERVBGQOFDT-GDBMZVCRSA-N 2 2 310.507 3.372 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523149 286326146 /nfs/dbraw/zinc/32/61/46/286326146.db2.gz GQESERVBGQOFDT-GDBMZVCRSA-N 2 2 310.507 3.372 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000359639286 286351925 /nfs/dbraw/zinc/35/19/25/286351925.db2.gz KKYGRESSGKUFKF-CYBMUJFWSA-N 2 2 312.429 3.224 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000359639286 286351928 /nfs/dbraw/zinc/35/19/28/286351928.db2.gz KKYGRESSGKUFKF-CYBMUJFWSA-N 2 2 312.429 3.224 20 0 DGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000359663428 286356372 /nfs/dbraw/zinc/35/63/72/286356372.db2.gz VGQRJPLYQRCJAN-BXWFABGCSA-N 2 2 302.462 3.071 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H](C)OC)c1cccc(OC)c1 ZINC000359762666 286376821 /nfs/dbraw/zinc/37/68/21/286376821.db2.gz FCIPHKNEEPBRNH-IIDMSEBBSA-N 2 2 308.466 3.091 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C12CCC2 ZINC000315811148 286390495 /nfs/dbraw/zinc/39/04/95/286390495.db2.gz DLJHPUITJYRYBN-FGTMMUONSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1nc(NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc[nH+]1 ZINC000361025152 286579721 /nfs/dbraw/zinc/57/97/21/286579721.db2.gz JRRFVYFBWKZPJS-QAPCUYQASA-N 2 2 312.461 3.384 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cn4ccccc4n3)CC2)c[nH+]1 ZINC000361063161 286588548 /nfs/dbraw/zinc/58/85/48/286588548.db2.gz OLKSZQKHZYVZSI-UHFFFAOYSA-N 2 2 323.444 3.223 20 0 DGADLP Cc1ccc2ccccc2c1C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000361632032 286703515 /nfs/dbraw/zinc/70/35/15/286703515.db2.gz RIRLPHDBLSLKPA-UHFFFAOYSA-N 2 2 320.440 3.189 20 0 DGADLP C[N@H+](Cc1ccc(F)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189331940 165157718 /nfs/dbraw/zinc/15/77/18/165157718.db2.gz KMSMDXKKZJJIIC-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[N@@H+](Cc1ccc(F)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189331940 165157721 /nfs/dbraw/zinc/15/77/21/165157721.db2.gz KMSMDXKKZJJIIC-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[N@@H+](Cc1ccc(F)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189349871 165158565 /nfs/dbraw/zinc/15/85/65/165158565.db2.gz NVCSPHCRSAYOLX-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccc(F)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189349871 165158570 /nfs/dbraw/zinc/15/85/70/165158570.db2.gz NVCSPHCRSAYOLX-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189349871 165158572 /nfs/dbraw/zinc/15/85/72/165158572.db2.gz NVCSPHCRSAYOLX-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189349871 165158579 /nfs/dbraw/zinc/15/85/79/165158579.db2.gz NVCSPHCRSAYOLX-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP CCOC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000189343442 165158640 /nfs/dbraw/zinc/15/86/40/165158640.db2.gz UUVGCTPYUIQPMJ-AWEZNQCLSA-N 2 2 310.404 3.054 20 0 DGADLP CCN(C)c1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000190878820 165219582 /nfs/dbraw/zinc/21/95/82/165219582.db2.gz ATKMMASYSLYNAE-UHFFFAOYSA-N 2 2 323.444 3.136 20 0 DGADLP C[C@H](CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000191068613 165229439 /nfs/dbraw/zinc/22/94/39/165229439.db2.gz XFXMHXNOKQBXFE-QZTJIDSGSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@H](CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000191068613 165229443 /nfs/dbraw/zinc/22/94/43/165229443.db2.gz XFXMHXNOKQBXFE-QZTJIDSGSA-N 2 2 316.489 3.365 20 0 DGADLP CCC(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCC1 ZINC000192647736 165300687 /nfs/dbraw/zinc/30/06/87/165300687.db2.gz ALXJPWLBGXYTLM-IPQPSQTFSA-N 3 2 307.526 3.102 20 0 DGADLP CCC(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000192647736 165300689 /nfs/dbraw/zinc/30/06/89/165300689.db2.gz ALXJPWLBGXYTLM-IPQPSQTFSA-N 3 2 307.526 3.102 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc4ncccc4c3)n2c1 ZINC000192978302 165314760 /nfs/dbraw/zinc/31/47/60/165314760.db2.gz VODXHHPQNCIQMA-UHFFFAOYSA-N 2 2 302.381 3.481 20 0 DGADLP Cc1cccn2c(C[NH2+]Cc3ccc4ncccc4c3)c[nH+]c12 ZINC000192980025 165314778 /nfs/dbraw/zinc/31/47/78/165314778.db2.gz JGOFVQMGIAFNJG-UHFFFAOYSA-N 2 2 302.381 3.481 20 0 DGADLP C[NH+]1Cc2ccc(NC(=O)Nc3ccc4c(c3)C[N@H+](C)C4)cc2C1 ZINC000193596668 165329674 /nfs/dbraw/zinc/32/96/74/165329674.db2.gz ZEPDHZAYWJPJPY-UHFFFAOYSA-N 2 2 322.412 3.221 20 0 DGADLP C[NH+]1Cc2ccc(NC(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)cc2C1 ZINC000193596668 165329678 /nfs/dbraw/zinc/32/96/78/165329678.db2.gz ZEPDHZAYWJPJPY-UHFFFAOYSA-N 2 2 322.412 3.221 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000194336698 165342850 /nfs/dbraw/zinc/34/28/50/165342850.db2.gz PLCHKGJMCAVSKY-NVXWUHKLSA-N 2 2 316.474 3.218 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000194336698 165342856 /nfs/dbraw/zinc/34/28/56/165342856.db2.gz PLCHKGJMCAVSKY-NVXWUHKLSA-N 2 2 316.474 3.218 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000230676420 165399056 /nfs/dbraw/zinc/39/90/56/165399056.db2.gz LAAZBPNHKXMLDA-WCQYABFASA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000230676420 165399060 /nfs/dbraw/zinc/39/90/60/165399060.db2.gz LAAZBPNHKXMLDA-WCQYABFASA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000262057405 165781815 /nfs/dbraw/zinc/78/18/15/165781815.db2.gz DQSBYHYPGJYEDY-XYPHTWIQSA-N 2 2 308.441 3.270 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269106 287149880 /nfs/dbraw/zinc/14/98/80/287149880.db2.gz HLTQPZUXECBFDT-HNNXBMFYSA-N 2 2 323.912 3.359 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269106 287149881 /nfs/dbraw/zinc/14/98/81/287149881.db2.gz HLTQPZUXECBFDT-HNNXBMFYSA-N 2 2 323.912 3.359 20 0 DGADLP C[C@@H](c1ccccc1Cl)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000089269106 287149882 /nfs/dbraw/zinc/14/98/82/287149882.db2.gz HLTQPZUXECBFDT-HNNXBMFYSA-N 2 2 323.912 3.359 20 0 DGADLP C[C@@H](c1ccccc1Cl)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000089269106 287149883 /nfs/dbraw/zinc/14/98/83/287149883.db2.gz HLTQPZUXECBFDT-HNNXBMFYSA-N 2 2 323.912 3.359 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000269005760 432150998 /nfs/dbraw/zinc/15/09/98/432150998.db2.gz LADAHTDPKCJKAY-WQGACYEGSA-N 2 2 301.459 3.430 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000269005760 432150999 /nfs/dbraw/zinc/15/09/99/432150999.db2.gz LADAHTDPKCJKAY-WQGACYEGSA-N 2 2 301.459 3.430 20 0 DGADLP c1sc(C2CC2)nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000136736607 432160776 /nfs/dbraw/zinc/16/07/76/432160776.db2.gz RJJZGOPMLUKPPO-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000136736607 432160778 /nfs/dbraw/zinc/16/07/78/432160778.db2.gz RJJZGOPMLUKPPO-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000136736607 432160787 /nfs/dbraw/zinc/16/07/87/432160787.db2.gz RJJZGOPMLUKPPO-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000182092698 432158137 /nfs/dbraw/zinc/15/81/37/432158137.db2.gz PWVAWPHBTBQUSM-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000182092698 432158140 /nfs/dbraw/zinc/15/81/40/432158140.db2.gz PWVAWPHBTBQUSM-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000182091165 432158597 /nfs/dbraw/zinc/15/85/97/432158597.db2.gz KRNDHORFMBCCFQ-GFCCVEGCSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000182091165 432158599 /nfs/dbraw/zinc/15/85/99/432158599.db2.gz KRNDHORFMBCCFQ-GFCCVEGCSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000182092558 432159056 /nfs/dbraw/zinc/15/90/56/432159056.db2.gz HCFHBAHPZSCZCI-LBPRGKRZSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000182092558 432159060 /nfs/dbraw/zinc/15/90/60/432159060.db2.gz HCFHBAHPZSCZCI-LBPRGKRZSA-N 2 2 323.362 3.292 20 0 DGADLP c1sc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129558951 196057683 /nfs/dbraw/zinc/05/76/83/196057683.db2.gz JWDOJLRUGHVHKI-HNNXBMFYSA-N 2 2 316.470 3.055 20 0 DGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129558951 196057684 /nfs/dbraw/zinc/05/76/84/196057684.db2.gz JWDOJLRUGHVHKI-HNNXBMFYSA-N 2 2 316.470 3.055 20 0 DGADLP COc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000150903686 432200101 /nfs/dbraw/zinc/20/01/01/432200101.db2.gz INVPIHQQORFELF-UHFFFAOYSA-N 2 2 320.396 3.055 20 0 DGADLP COc1cccc(CCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129836738 196079703 /nfs/dbraw/zinc/07/97/03/196079703.db2.gz RUMHCWWVQIUBKW-LPHOPBHVSA-N 2 2 313.445 3.407 20 0 DGADLP COc1cccc(CCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129836738 196079704 /nfs/dbraw/zinc/07/97/04/196079704.db2.gz RUMHCWWVQIUBKW-LPHOPBHVSA-N 2 2 313.445 3.407 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715858 432200487 /nfs/dbraw/zinc/20/04/87/432200487.db2.gz VYPAQOPSVKLROQ-YRGRVCCFSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715858 432200490 /nfs/dbraw/zinc/20/04/90/432200490.db2.gz VYPAQOPSVKLROQ-YRGRVCCFSA-N 2 2 320.868 3.045 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000247152409 432207133 /nfs/dbraw/zinc/20/71/33/432207133.db2.gz XDMXATIRGGEMQR-AHCXZYCDSA-N 2 2 319.493 3.043 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000247152409 432207134 /nfs/dbraw/zinc/20/71/34/432207134.db2.gz XDMXATIRGGEMQR-AHCXZYCDSA-N 2 2 319.493 3.043 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NC[C@@H]3CC=CCC3)[nH+]c2)CC1 ZINC000269809832 432209504 /nfs/dbraw/zinc/20/95/04/432209504.db2.gz LWBUKORVURYCBC-MRXNPFEDSA-N 2 2 314.477 3.380 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000247250890 432214427 /nfs/dbraw/zinc/21/44/27/432214427.db2.gz YICNXKBXIRQWCY-YZLZLFLDSA-N 2 2 324.472 3.284 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000247250890 432214430 /nfs/dbraw/zinc/21/44/30/432214430.db2.gz YICNXKBXIRQWCY-YZLZLFLDSA-N 2 2 324.472 3.284 20 0 DGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000269850800 432214960 /nfs/dbraw/zinc/21/49/60/432214960.db2.gz XVJIGNDRHGJTTH-QGZVFWFLSA-N 2 2 322.836 3.002 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190956759 432205719 /nfs/dbraw/zinc/20/57/19/432205719.db2.gz XVOHBXIVOIDTLT-KRWDZBQOSA-N 2 2 312.461 3.082 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000190956759 432205725 /nfs/dbraw/zinc/20/57/25/432205725.db2.gz XVOHBXIVOIDTLT-KRWDZBQOSA-N 2 2 312.461 3.082 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000190956864 432206018 /nfs/dbraw/zinc/20/60/18/432206018.db2.gz DCWZGCZWJQDXIN-GFCCVEGCSA-N 2 2 315.255 3.252 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000190956864 432206022 /nfs/dbraw/zinc/20/60/22/432206022.db2.gz DCWZGCZWJQDXIN-GFCCVEGCSA-N 2 2 315.255 3.252 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000131544261 196178640 /nfs/dbraw/zinc/17/86/40/196178640.db2.gz VIDHTTDNUBVXBK-QMMLZNLJSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000131544261 196178642 /nfs/dbraw/zinc/17/86/42/196178642.db2.gz VIDHTTDNUBVXBK-QMMLZNLJSA-N 2 2 324.468 3.015 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000247283555 432218827 /nfs/dbraw/zinc/21/88/27/432218827.db2.gz YRSOXTZMGBBKDG-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000247283555 432218828 /nfs/dbraw/zinc/21/88/28/432218828.db2.gz YRSOXTZMGBBKDG-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000247283555 432218829 /nfs/dbraw/zinc/21/88/29/432218829.db2.gz YRSOXTZMGBBKDG-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(C(C)(C)C)s3)CC[C@H]21 ZINC000247283555 432218830 /nfs/dbraw/zinc/21/88/30/432218830.db2.gz YRSOXTZMGBBKDG-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000132395569 196253006 /nfs/dbraw/zinc/25/30/06/196253006.db2.gz YNTZYLXJRKFYJC-HNNXBMFYSA-N 2 2 313.420 3.410 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000132330449 196246346 /nfs/dbraw/zinc/24/63/46/196246346.db2.gz SNSBZFTYTZPYIX-MRXNPFEDSA-N 2 2 324.472 3.409 20 0 DGADLP CC[C@@H](COC)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000132961187 196299414 /nfs/dbraw/zinc/29/94/14/196299414.db2.gz NRXPPDNUCZOGOC-HNNXBMFYSA-N 2 2 305.466 3.054 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000132983099 196302403 /nfs/dbraw/zinc/30/24/03/196302403.db2.gz SSFVAORPEWTHET-JTQLQIEISA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000132983099 196302405 /nfs/dbraw/zinc/30/24/05/196302405.db2.gz SSFVAORPEWTHET-JTQLQIEISA-N 2 2 317.658 3.273 20 0 DGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000296584749 226019719 /nfs/dbraw/zinc/01/97/19/226019719.db2.gz UPJWTUCOKRWATG-NPYXIHBLSA-N 2 2 308.853 3.242 20 0 DGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000296584749 226019724 /nfs/dbraw/zinc/01/97/24/226019724.db2.gz UPJWTUCOKRWATG-NPYXIHBLSA-N 2 2 308.853 3.242 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000132425305 227031056 /nfs/dbraw/zinc/03/10/56/227031056.db2.gz GVGDAMYGOPYQFW-MFKMUULPSA-N 2 2 318.795 3.371 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000132425305 227031060 /nfs/dbraw/zinc/03/10/60/227031060.db2.gz GVGDAMYGOPYQFW-MFKMUULPSA-N 2 2 318.795 3.371 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000291081564 222123360 /nfs/dbraw/zinc/12/33/60/222123360.db2.gz NQVMZQREASIDNL-IAGOWNOFSA-N 2 2 303.450 3.089 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000291081564 222123362 /nfs/dbraw/zinc/12/33/62/222123362.db2.gz NQVMZQREASIDNL-IAGOWNOFSA-N 2 2 303.450 3.089 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000291173567 222194289 /nfs/dbraw/zinc/19/42/89/222194289.db2.gz KBNCRCLBPQTNBJ-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](C2CC2)CC1 ZINC000297453056 227184836 /nfs/dbraw/zinc/18/48/36/227184836.db2.gz PJDLJIDSDGWYBI-UHFFFAOYSA-N 2 2 303.450 3.089 20 0 DGADLP Nc1nc(NCc2ccccc2-n2cc[nH+]c2)[nH+]c2ccccc12 ZINC000302640243 230330316 /nfs/dbraw/zinc/33/03/16/230330316.db2.gz IBAQVEPMGSPMMO-UHFFFAOYSA-N 2 2 316.368 3.010 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423367475 274216842 /nfs/dbraw/zinc/21/68/42/274216842.db2.gz MMYXQPMHFRTBHR-JVXZTZIISA-N 2 2 303.631 3.027 20 0 DGADLP C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346334915 264012553 /nfs/dbraw/zinc/01/25/53/264012553.db2.gz OZHFUSRPULLOFT-OAHLLOKOSA-N 2 2 317.396 3.371 20 0 DGADLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000346356070 264016713 /nfs/dbraw/zinc/01/67/13/264016713.db2.gz CDCYAIWCUONRHO-KGLIPLIRSA-N 2 2 322.415 3.198 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462161 264036329 /nfs/dbraw/zinc/03/63/29/264036329.db2.gz OBDPAQYVKWCIHC-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462161 264036331 /nfs/dbraw/zinc/03/63/31/264036331.db2.gz OBDPAQYVKWCIHC-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP Cc1ccnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000346503219 264042503 /nfs/dbraw/zinc/04/25/03/264042503.db2.gz QBRVZNSKJCRPCC-HOTGVXAUSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000346547910 264051055 /nfs/dbraw/zinc/05/10/55/264051055.db2.gz CBSDHQYXNPCUSK-NEWSRXKRSA-N 2 2 302.462 3.289 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000346600435 264062666 /nfs/dbraw/zinc/06/26/66/264062666.db2.gz SDOUMRIPUPPTNG-FQEVSTJZSA-N 2 2 317.521 3.217 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000346671590 264077454 /nfs/dbraw/zinc/07/74/54/264077454.db2.gz KADBFBSSZFSKFZ-CYBMUJFWSA-N 2 2 308.857 3.032 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000346671590 264077456 /nfs/dbraw/zinc/07/74/56/264077456.db2.gz KADBFBSSZFSKFZ-CYBMUJFWSA-N 2 2 308.857 3.032 20 0 DGADLP Cc1nn2c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(C(C)C)nc2s1 ZINC000346684521 264079339 /nfs/dbraw/zinc/07/93/39/264079339.db2.gz QBEBNLGQZCNJCM-ZDUSSCGKSA-N 2 2 323.510 3.028 20 0 DGADLP Cc1nn2c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(C(C)C)nc2s1 ZINC000346684521 264079340 /nfs/dbraw/zinc/07/93/40/264079340.db2.gz QBEBNLGQZCNJCM-ZDUSSCGKSA-N 2 2 323.510 3.028 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784456 264095874 /nfs/dbraw/zinc/09/58/74/264095874.db2.gz BOOMXFDYWQZOOS-HEHGZKQESA-N 2 2 315.461 3.050 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784456 264095875 /nfs/dbraw/zinc/09/58/75/264095875.db2.gz BOOMXFDYWQZOOS-HEHGZKQESA-N 2 2 315.461 3.050 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346801445 264099537 /nfs/dbraw/zinc/09/95/37/264099537.db2.gz SHWJQOWXEDYJAB-DJIMGWMZSA-N 2 2 320.477 3.097 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346801445 264099538 /nfs/dbraw/zinc/09/95/38/264099538.db2.gz SHWJQOWXEDYJAB-DJIMGWMZSA-N 2 2 320.477 3.097 20 0 DGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346853508 264109196 /nfs/dbraw/zinc/10/91/96/264109196.db2.gz SSRXPXHNXVLRME-PKOBYXMFSA-N 2 2 320.477 3.194 20 0 DGADLP CCCCCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346853508 264109199 /nfs/dbraw/zinc/10/91/99/264109199.db2.gz SSRXPXHNXVLRME-PKOBYXMFSA-N 2 2 320.477 3.194 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@H]1C[NH3+] ZINC000347002251 264137076 /nfs/dbraw/zinc/13/70/76/264137076.db2.gz ILSCGUKLFWYAMJ-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@H]1C[NH3+] ZINC000347002251 264137077 /nfs/dbraw/zinc/13/70/77/264137077.db2.gz ILSCGUKLFWYAMJ-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H]1C[NH3+] ZINC000347003969 264137632 /nfs/dbraw/zinc/13/76/32/264137632.db2.gz AHYMOCVNBFHHRM-CXAGYDPISA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H]1C[NH3+] ZINC000347003969 264137633 /nfs/dbraw/zinc/13/76/33/264137633.db2.gz AHYMOCVNBFHHRM-CXAGYDPISA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000347010015 264138832 /nfs/dbraw/zinc/13/88/32/264138832.db2.gz SZBUVNCVENTLQP-HOTGVXAUSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000347010015 264138833 /nfs/dbraw/zinc/13/88/33/264138833.db2.gz SZBUVNCVENTLQP-HOTGVXAUSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H]1C[NH3+] ZINC000347037022 264144559 /nfs/dbraw/zinc/14/45/59/264144559.db2.gz FPAGAXXWEGROQX-IFXJQAMLSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H]1C[NH3+] ZINC000347037022 264144560 /nfs/dbraw/zinc/14/45/60/264144560.db2.gz FPAGAXXWEGROQX-IFXJQAMLSA-N 2 2 313.420 3.447 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OC(C)C ZINC000347034867 264144565 /nfs/dbraw/zinc/14/45/65/264144565.db2.gz DESJUZBLURKPKL-GOEBONIOSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OC(C)C ZINC000347034867 264144566 /nfs/dbraw/zinc/14/45/66/264144566.db2.gz DESJUZBLURKPKL-GOEBONIOSA-N 2 2 306.450 3.042 20 0 DGADLP CCCOc1ccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)cc1OC ZINC000347035222 264144892 /nfs/dbraw/zinc/14/48/92/264144892.db2.gz GGFOZHVEUBSQRW-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1ccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)cc1OC ZINC000347035222 264144896 /nfs/dbraw/zinc/14/48/96/264144896.db2.gz GGFOZHVEUBSQRW-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1c(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cccc1OCC ZINC000347036943 264145116 /nfs/dbraw/zinc/14/51/16/264145116.db2.gz FAJJKUZECKASNG-MRXNPFEDSA-N 2 2 320.477 3.306 20 0 DGADLP CCCOc1c(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cccc1OCC ZINC000347036943 264145121 /nfs/dbraw/zinc/14/51/21/264145121.db2.gz FAJJKUZECKASNG-MRXNPFEDSA-N 2 2 320.477 3.306 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000347065473 264151315 /nfs/dbraw/zinc/15/13/15/264151315.db2.gz LMGYIOMCXZHHCP-IUODEOHRSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000347065473 264151318 /nfs/dbraw/zinc/15/13/18/264151318.db2.gz LMGYIOMCXZHHCP-IUODEOHRSA-N 2 2 316.367 3.187 20 0 DGADLP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347071494 264151697 /nfs/dbraw/zinc/15/16/97/264151697.db2.gz BVBFZSRWIBHLHK-OALUTQOASA-N 2 2 312.413 3.313 20 0 DGADLP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347071494 264151698 /nfs/dbraw/zinc/15/16/98/264151698.db2.gz BVBFZSRWIBHLHK-OALUTQOASA-N 2 2 312.413 3.313 20 0 DGADLP COc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1SC ZINC000347110668 264158134 /nfs/dbraw/zinc/15/81/34/264158134.db2.gz PPTVYSODJGCXBD-UHFFFAOYSA-N 2 2 320.502 3.381 20 0 DGADLP c1ccc(OCCCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347115894 264160186 /nfs/dbraw/zinc/16/01/86/264160186.db2.gz WFWKYVAEAKFJBH-IBGZPJMESA-N 2 2 312.413 3.394 20 0 DGADLP c1ccc(OCCCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347115894 264160189 /nfs/dbraw/zinc/16/01/89/264160189.db2.gz WFWKYVAEAKFJBH-IBGZPJMESA-N 2 2 312.413 3.394 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ncccc12 ZINC000347122712 264160723 /nfs/dbraw/zinc/16/07/23/264160723.db2.gz HAWVKRDDKJHREE-INIZCTEOSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ncccc12 ZINC000347122712 264160725 /nfs/dbraw/zinc/16/07/25/264160725.db2.gz HAWVKRDDKJHREE-INIZCTEOSA-N 2 2 323.371 3.422 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000347137432 264163904 /nfs/dbraw/zinc/16/39/04/264163904.db2.gz UKMFEQIKQSWYIQ-LLVKDONJSA-N 2 2 304.768 3.112 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000347137432 264163905 /nfs/dbraw/zinc/16/39/05/264163905.db2.gz UKMFEQIKQSWYIQ-LLVKDONJSA-N 2 2 304.768 3.112 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OC ZINC000347159930 264166961 /nfs/dbraw/zinc/16/69/61/264166961.db2.gz GLHSGNRAYQIQON-GOEBONIOSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OC ZINC000347159930 264166962 /nfs/dbraw/zinc/16/69/62/264166962.db2.gz GLHSGNRAYQIQON-GOEBONIOSA-N 2 2 306.450 3.186 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187961 264172144 /nfs/dbraw/zinc/17/21/44/264172144.db2.gz CTNCRJNLDOOLEG-PKOBYXMFSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187961 264172147 /nfs/dbraw/zinc/17/21/47/264172147.db2.gz CTNCRJNLDOOLEG-PKOBYXMFSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347187961 264172150 /nfs/dbraw/zinc/17/21/50/264172150.db2.gz CTNCRJNLDOOLEG-PKOBYXMFSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187961 264172152 /nfs/dbraw/zinc/17/21/52/264172152.db2.gz CTNCRJNLDOOLEG-PKOBYXMFSA-N 3 2 317.521 3.204 20 0 DGADLP CC[N@H+](CCc1ccccc1)Cc1ncc(C[NH+](C)C)s1 ZINC000347577003 264245215 /nfs/dbraw/zinc/24/52/15/264245215.db2.gz BGUBLJWTSUXDME-UHFFFAOYSA-N 2 2 303.475 3.269 20 0 DGADLP CC[N@@H+](CCc1ccccc1)Cc1ncc(C[NH+](C)C)s1 ZINC000347577003 264245218 /nfs/dbraw/zinc/24/52/18/264245218.db2.gz BGUBLJWTSUXDME-UHFFFAOYSA-N 2 2 303.475 3.269 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000347615881 264252367 /nfs/dbraw/zinc/25/23/67/264252367.db2.gz RIOVJBPXGYYMRN-HXUWFJFHSA-N 2 2 310.441 3.266 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000347615881 264252369 /nfs/dbraw/zinc/25/23/69/264252369.db2.gz RIOVJBPXGYYMRN-HXUWFJFHSA-N 2 2 310.441 3.266 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1OC ZINC000347647211 264259040 /nfs/dbraw/zinc/25/90/40/264259040.db2.gz XLMNSGVKSQMCFP-OAHLLOKOSA-N 2 2 315.417 3.115 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1OC ZINC000347647211 264259042 /nfs/dbraw/zinc/25/90/42/264259042.db2.gz XLMNSGVKSQMCFP-OAHLLOKOSA-N 2 2 315.417 3.115 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000348008484 264321999 /nfs/dbraw/zinc/32/19/99/264321999.db2.gz IHEPISRWOOOHQO-CABCVRRESA-N 3 2 300.450 3.172 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000348008490 264322173 /nfs/dbraw/zinc/32/21/73/264322173.db2.gz IHEPISRWOOOHQO-HUUCEWRRSA-N 3 2 300.450 3.172 20 0 DGADLP CCc1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000348186137 264361104 /nfs/dbraw/zinc/36/11/04/264361104.db2.gz MDYKCIGEVPEUJF-KRWDZBQOSA-N 2 2 310.445 3.166 20 0 DGADLP CCc1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000348186137 264361106 /nfs/dbraw/zinc/36/11/06/264361106.db2.gz MDYKCIGEVPEUJF-KRWDZBQOSA-N 2 2 310.445 3.166 20 0 DGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000348222378 264367364 /nfs/dbraw/zinc/36/73/64/264367364.db2.gz QWPMXXDSEVMOBA-MRXNPFEDSA-N 2 2 316.445 3.151 20 0 DGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000348222378 264367367 /nfs/dbraw/zinc/36/73/67/264367367.db2.gz QWPMXXDSEVMOBA-MRXNPFEDSA-N 2 2 316.445 3.151 20 0 DGADLP Cc1cc[nH+]cc1CCCN(CCC[NH3+])c1cccc(F)c1 ZINC000348253047 264375820 /nfs/dbraw/zinc/37/58/20/264375820.db2.gz GZMFZGHSYBTQJL-UHFFFAOYSA-N 2 2 301.409 3.317 20 0 DGADLP CCSc1cccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000349633435 264535636 /nfs/dbraw/zinc/53/56/36/264535636.db2.gz RVFNDCBSQPQTTD-HOTGVXAUSA-N 2 2 322.518 3.388 20 0 DGADLP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc12 ZINC000349630535 264535805 /nfs/dbraw/zinc/53/58/05/264535805.db2.gz MNQOUTJOZXBPBK-KBXCAEBGSA-N 2 2 323.444 3.047 20 0 DGADLP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccon1 ZINC000349829156 264553967 /nfs/dbraw/zinc/55/39/67/264553967.db2.gz BYVMJQVJEWZJQS-KBPBESRZSA-N 2 2 303.406 3.027 20 0 DGADLP CC[N@H+](CC[NH2+]C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000352319230 265000787 /nfs/dbraw/zinc/00/07/87/265000787.db2.gz HNUCCNPRYKCGPY-SSZFMOIBSA-N 2 2 302.462 3.310 20 0 DGADLP CC[N@@H+](CC[NH2+]C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000352319230 265000793 /nfs/dbraw/zinc/00/07/93/265000793.db2.gz HNUCCNPRYKCGPY-SSZFMOIBSA-N 2 2 302.462 3.310 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000352338368 265007399 /nfs/dbraw/zinc/00/73/99/265007399.db2.gz RCROBNCHBVAPKN-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000352338368 265007402 /nfs/dbraw/zinc/00/74/02/265007402.db2.gz RCROBNCHBVAPKN-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000352406800 265035701 /nfs/dbraw/zinc/03/57/01/265035701.db2.gz NPDFVBFFYWIJRK-UHFFFAOYSA-N 2 2 321.428 3.280 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000352496301 265069667 /nfs/dbraw/zinc/06/96/67/265069667.db2.gz UQKFQONBDYSWOJ-CYBMUJFWSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000352496301 265069672 /nfs/dbraw/zinc/06/96/72/265069672.db2.gz UQKFQONBDYSWOJ-CYBMUJFWSA-N 2 2 303.381 3.184 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCCOC1 ZINC000352518422 265077074 /nfs/dbraw/zinc/07/70/74/265077074.db2.gz IBAZPIWZXUHASL-RNIPGJKVSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCCOC1 ZINC000352518422 265077077 /nfs/dbraw/zinc/07/70/77/265077077.db2.gz IBAZPIWZXUHASL-RNIPGJKVSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000352545468 265084118 /nfs/dbraw/zinc/08/41/18/265084118.db2.gz JCHDTOLTCSXPBW-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000352545468 265084121 /nfs/dbraw/zinc/08/41/21/265084121.db2.gz JCHDTOLTCSXPBW-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606115 265102506 /nfs/dbraw/zinc/10/25/06/265102506.db2.gz UYCKPCQPAFGFAH-DOTOQJQBSA-N 2 2 319.493 3.326 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606115 265102511 /nfs/dbraw/zinc/10/25/11/265102511.db2.gz UYCKPCQPAFGFAH-DOTOQJQBSA-N 2 2 319.493 3.326 20 0 DGADLP CC1(C)[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1OCc1ccccc1 ZINC000352685795 265129711 /nfs/dbraw/zinc/12/97/11/265129711.db2.gz WJHACJSNDCIVNO-ROUUACIJSA-N 2 2 313.445 3.247 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352701628 265134121 /nfs/dbraw/zinc/13/41/21/265134121.db2.gz LUKHNFVVBDREMS-MPGHIAIKSA-N 2 2 308.441 3.366 20 0 DGADLP Cc1[nH+]ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c1Cl ZINC000352744074 265148994 /nfs/dbraw/zinc/14/89/94/265148994.db2.gz AYUOCFABDOIVMY-UHFFFAOYSA-N 2 2 318.730 3.439 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000352765097 265157874 /nfs/dbraw/zinc/15/78/74/265157874.db2.gz JEHXWFGYWCOEPI-UHFFFAOYSA-N 2 2 313.430 3.003 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1 ZINC000352766621 265157888 /nfs/dbraw/zinc/15/78/88/265157888.db2.gz YJVUSQWFGSSTGS-MRXNPFEDSA-N 2 2 312.461 3.243 20 0 DGADLP CCc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000352767404 265158428 /nfs/dbraw/zinc/15/84/28/265158428.db2.gz CLKIGBJQFFOFHY-UHFFFAOYSA-N 2 2 306.413 3.179 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc3ccccc3n2)s1 ZINC000352775225 265160821 /nfs/dbraw/zinc/16/08/21/265160821.db2.gz ZKUBTTMDADEWCE-UHFFFAOYSA-N 2 2 312.442 3.043 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(F)c(Cl)c2)s1 ZINC000352778042 265163104 /nfs/dbraw/zinc/16/31/04/265163104.db2.gz FFEMWNUJMLBFKI-UHFFFAOYSA-N 2 2 313.829 3.287 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc3ccccc3o2)s1 ZINC000352785987 265165902 /nfs/dbraw/zinc/16/59/02/265165902.db2.gz IAVHYHMSQCAVQU-UHFFFAOYSA-N 2 2 315.442 3.283 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352831698 265187439 /nfs/dbraw/zinc/18/74/39/265187439.db2.gz MPTKKIXMRBEACF-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352831698 265187443 /nfs/dbraw/zinc/18/74/43/265187443.db2.gz MPTKKIXMRBEACF-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000352831698 265187445 /nfs/dbraw/zinc/18/74/45/265187445.db2.gz MPTKKIXMRBEACF-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000352831698 265187447 /nfs/dbraw/zinc/18/74/47/265187447.db2.gz MPTKKIXMRBEACF-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000352942982 265240501 /nfs/dbraw/zinc/24/05/01/265240501.db2.gz BESSVCRDDNTGFT-UHFFFAOYSA-N 2 2 315.417 3.197 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000352976467 265253116 /nfs/dbraw/zinc/25/31/16/265253116.db2.gz KPYKTMWRXLTNLH-VHUCWBOISA-N 2 2 311.429 3.037 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]CC2(C(F)(F)F)CCC2)s1 ZINC000353115089 265301435 /nfs/dbraw/zinc/30/14/35/265301435.db2.gz XGQVKEKHBOCNKM-UHFFFAOYSA-N 2 2 307.385 3.027 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OC ZINC000353129575 265310216 /nfs/dbraw/zinc/31/02/16/265310216.db2.gz UOLFHYZVVZREAC-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP COc1c2ccccc2oc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000353184052 265333412 /nfs/dbraw/zinc/33/34/12/265333412.db2.gz RXZCNIJCCOKCAY-UHFFFAOYSA-N 2 2 307.353 3.379 20 0 DGADLP Cc1ccc(CCC[NH2+]CC[C@H]2COc3ccccc3O2)c[nH+]1 ZINC000354512852 265793713 /nfs/dbraw/zinc/79/37/13/265793713.db2.gz OTILROKTASQZTK-KRWDZBQOSA-N 2 2 312.413 3.142 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2nnc(-c3ccccc3)o2)c[nH+]1 ZINC000354542813 265804693 /nfs/dbraw/zinc/80/46/93/265804693.db2.gz DYFSRFUWZCAJGG-UHFFFAOYSA-N 2 2 322.412 3.205 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000355249675 266016112 /nfs/dbraw/zinc/01/61/12/266016112.db2.gz CXDYMNAVXZXDFI-IUODEOHRSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000355249675 266016115 /nfs/dbraw/zinc/01/61/15/266016115.db2.gz CXDYMNAVXZXDFI-IUODEOHRSA-N 2 2 324.350 3.380 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747031 266171183 /nfs/dbraw/zinc/17/11/83/266171183.db2.gz HAOFYEKNUWJGFU-HOCLYGCPSA-N 2 2 308.441 3.087 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747031 266171187 /nfs/dbraw/zinc/17/11/87/266171187.db2.gz HAOFYEKNUWJGFU-HOCLYGCPSA-N 2 2 308.441 3.087 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356339914 266358283 /nfs/dbraw/zinc/35/82/83/266358283.db2.gz OQZRMOPEIMKRQA-JTQLQIEISA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356339914 266358287 /nfs/dbraw/zinc/35/82/87/266358287.db2.gz OQZRMOPEIMKRQA-JTQLQIEISA-N 2 2 315.364 3.490 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)[nH+]1 ZINC000356360903 266366059 /nfs/dbraw/zinc/36/60/59/266366059.db2.gz IWHRIJCZIZTKAZ-HXUWFJFHSA-N 2 2 319.408 3.304 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)[nH+]1 ZINC000356360903 266366063 /nfs/dbraw/zinc/36/60/63/266366063.db2.gz IWHRIJCZIZTKAZ-HXUWFJFHSA-N 2 2 319.408 3.304 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)[nH]c2c1 ZINC000270411747 432243493 /nfs/dbraw/zinc/24/34/93/432243493.db2.gz CELQHGNZGIJWTM-MORSLUCNSA-N 2 2 311.429 3.043 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000359898865 271013031 /nfs/dbraw/zinc/01/30/31/271013031.db2.gz MXSDJJLSVPIIFP-IBGZPJMESA-N 2 2 323.440 3.108 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000359898865 271013035 /nfs/dbraw/zinc/01/30/35/271013035.db2.gz MXSDJJLSVPIIFP-IBGZPJMESA-N 2 2 323.440 3.108 20 0 DGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000367609942 271050217 /nfs/dbraw/zinc/05/02/17/271050217.db2.gz YRGGJEQQGPDLOI-GUDVDZBRSA-N 2 2 313.445 3.214 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000368008462 271112612 /nfs/dbraw/zinc/11/26/12/271112612.db2.gz JWRBTDFXDGRXHJ-IBGZPJMESA-N 2 2 312.413 3.102 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000368008462 271112615 /nfs/dbraw/zinc/11/26/15/271112615.db2.gz JWRBTDFXDGRXHJ-IBGZPJMESA-N 2 2 312.413 3.102 20 0 DGADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368142175 271142562 /nfs/dbraw/zinc/14/25/62/271142562.db2.gz IXSRRIKTGSSANE-FOIQADDNSA-N 2 2 323.440 3.158 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368539187 271168401 /nfs/dbraw/zinc/16/84/01/271168401.db2.gz RRQFCERENXGTAS-XHSDSOJGSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368539187 271168403 /nfs/dbraw/zinc/16/84/03/271168403.db2.gz RRQFCERENXGTAS-XHSDSOJGSA-N 2 2 314.429 3.255 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000247976742 432257905 /nfs/dbraw/zinc/25/79/05/432257905.db2.gz LACWOOFIXPWBBF-DNVCBOLYSA-N 3 2 312.461 3.316 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000247976742 432257907 /nfs/dbraw/zinc/25/79/07/432257907.db2.gz LACWOOFIXPWBBF-DNVCBOLYSA-N 3 2 312.461 3.316 20 0 DGADLP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000247976742 432257910 /nfs/dbraw/zinc/25/79/10/432257910.db2.gz LACWOOFIXPWBBF-DNVCBOLYSA-N 2 2 312.461 3.316 20 0 DGADLP COc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc(C)[nH+]c12 ZINC000128121676 274150612 /nfs/dbraw/zinc/15/06/12/274150612.db2.gz XQNOHLUMFXMMOB-CABCVRRESA-N 2 2 311.429 3.225 20 0 DGADLP COc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc(C)[nH+]c12 ZINC000128121676 274150613 /nfs/dbraw/zinc/15/06/13/274150613.db2.gz XQNOHLUMFXMMOB-CABCVRRESA-N 2 2 311.429 3.225 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs1 ZINC000430569080 274155699 /nfs/dbraw/zinc/15/56/99/274155699.db2.gz IDWFEMMONRWHFV-KRWDZBQOSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271530751 274257534 /nfs/dbraw/zinc/25/75/34/274257534.db2.gz RAXMAHDBVDXMGI-CXAGYDPISA-N 2 2 307.401 3.324 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCC(C)(C)c2ccccc21 ZINC000423010922 274497016 /nfs/dbraw/zinc/49/70/16/274497016.db2.gz AGZOQTZQNSSLRR-ZACQAIPSSA-N 2 2 316.489 3.198 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCOCC(F)F)CC1 ZINC000280205666 274850572 /nfs/dbraw/zinc/85/05/72/274850572.db2.gz JMHZTZUOXRGWGR-UHFFFAOYSA-N 2 2 323.387 3.263 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2cc1Cl ZINC000420258415 274910119 /nfs/dbraw/zinc/91/01/19/274910119.db2.gz LBANNZCKVDIBNU-QWRGUYRKSA-N 2 2 305.784 3.073 20 0 DGADLP Cc1cc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635405 429358516 /nfs/dbraw/zinc/35/85/16/429358516.db2.gz GBSDYRQDQVXXPU-FUHWJXTLSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1cc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635405 429358521 /nfs/dbraw/zinc/35/85/21/429358521.db2.gz GBSDYRQDQVXXPU-FUHWJXTLSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1cc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635404 429358539 /nfs/dbraw/zinc/35/85/39/429358539.db2.gz GBSDYRQDQVXXPU-AEFFLSMTSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1cc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635404 429358546 /nfs/dbraw/zinc/35/85/46/429358546.db2.gz GBSDYRQDQVXXPU-AEFFLSMTSA-N 2 2 310.445 3.498 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562237 275768952 /nfs/dbraw/zinc/76/89/52/275768952.db2.gz POEZPXNYGOHIBF-UHFFFAOYSA-N 2 2 324.472 3.324 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939953 276213954 /nfs/dbraw/zinc/21/39/54/276213954.db2.gz QWFBMHWDJANCJJ-GOEBONIOSA-N 2 2 306.498 3.022 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939953 276213957 /nfs/dbraw/zinc/21/39/57/276213957.db2.gz QWFBMHWDJANCJJ-GOEBONIOSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939953 276213958 /nfs/dbraw/zinc/21/39/58/276213958.db2.gz QWFBMHWDJANCJJ-GOEBONIOSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939953 276213961 /nfs/dbraw/zinc/21/39/61/276213961.db2.gz QWFBMHWDJANCJJ-GOEBONIOSA-N 2 2 306.498 3.022 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000455505494 276223273 /nfs/dbraw/zinc/22/32/73/276223273.db2.gz XFOCWPMZXZEWDH-HOCLYGCPSA-N 2 2 318.465 3.343 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000455505494 276223274 /nfs/dbraw/zinc/22/32/74/276223274.db2.gz XFOCWPMZXZEWDH-HOCLYGCPSA-N 2 2 318.465 3.343 20 0 DGADLP C[NH+](C)Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1F ZINC000629709292 429962637 /nfs/dbraw/zinc/96/26/37/429962637.db2.gz SFSYLBXQENLBOC-UHFFFAOYSA-N 2 2 317.408 3.134 20 0 DGADLP CCC(CC)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000533106005 430157087 /nfs/dbraw/zinc/15/70/87/430157087.db2.gz MSJUGJBQVNXDAL-UHFFFAOYSA-N 2 2 304.482 3.460 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@H]2CCC=CO2)CC1 ZINC000290313724 277026888 /nfs/dbraw/zinc/02/68/88/277026888.db2.gz CIHAWXCULRICDT-LJQANCHMSA-N 2 2 300.446 3.276 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@H]2CCC=CO2)CC1 ZINC000290313724 277026889 /nfs/dbraw/zinc/02/68/89/277026889.db2.gz CIHAWXCULRICDT-LJQANCHMSA-N 2 2 300.446 3.276 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000154526177 277064702 /nfs/dbraw/zinc/06/47/02/277064702.db2.gz JNYUZBMMZQCBLM-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000154526177 277064705 /nfs/dbraw/zinc/06/47/05/277064705.db2.gz JNYUZBMMZQCBLM-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C[C@@H]1c1ccccc1 ZINC000340305331 277173385 /nfs/dbraw/zinc/17/33/85/277173385.db2.gz HGHDRXCTOUQOMA-OKZBNKHCSA-N 2 2 310.445 3.212 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C[C@@H]1c1ccccc1 ZINC000340305331 277173386 /nfs/dbraw/zinc/17/33/86/277173386.db2.gz HGHDRXCTOUQOMA-OKZBNKHCSA-N 2 2 310.445 3.212 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849098 277182976 /nfs/dbraw/zinc/18/29/76/277182976.db2.gz HJSAAZZXAQDZJS-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849098 277182978 /nfs/dbraw/zinc/18/29/78/277182978.db2.gz HJSAAZZXAQDZJS-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849098 277182979 /nfs/dbraw/zinc/18/29/79/277182979.db2.gz HJSAAZZXAQDZJS-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849098 277182981 /nfs/dbraw/zinc/18/29/81/277182981.db2.gz HJSAAZZXAQDZJS-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423255500 277274744 /nfs/dbraw/zinc/27/47/44/277274744.db2.gz AGLZIEKPTCMDBN-NOZJJQNGSA-N 2 2 315.230 3.021 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446977290 278031852 /nfs/dbraw/zinc/03/18/52/278031852.db2.gz MSCNGMAZDQZCQW-AEFFLSMTSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446977290 278031853 /nfs/dbraw/zinc/03/18/53/278031853.db2.gz MSCNGMAZDQZCQW-AEFFLSMTSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292427620 278042897 /nfs/dbraw/zinc/04/28/97/278042897.db2.gz WYZIMZFCWMDFMZ-IBGZPJMESA-N 2 2 311.429 3.084 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292427620 278042899 /nfs/dbraw/zinc/04/28/99/278042899.db2.gz WYZIMZFCWMDFMZ-IBGZPJMESA-N 2 2 311.429 3.084 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000261841328 278210622 /nfs/dbraw/zinc/21/06/22/278210622.db2.gz ISGDIOLLYDKCAN-RQUSPXKASA-N 2 2 309.413 3.440 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427619796 278301474 /nfs/dbraw/zinc/30/14/74/278301474.db2.gz ZWUYBXLJYXFXNG-NHYWBVRUSA-N 2 2 324.350 3.353 20 0 DGADLP CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423121596 278396310 /nfs/dbraw/zinc/39/63/10/278396310.db2.gz AVBVWNYHKUCLMY-TZMCWYRMSA-N 2 2 309.251 3.024 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@@H](C)O1 ZINC000338201345 278748800 /nfs/dbraw/zinc/74/88/00/278748800.db2.gz ZOKDBEWKOXUVAJ-XNJGSVPQSA-N 2 2 324.415 3.041 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293521346 279315071 /nfs/dbraw/zinc/31/50/71/279315071.db2.gz UHWFOGMBNYUFDL-KFKAGJAMSA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293521346 279315072 /nfs/dbraw/zinc/31/50/72/279315072.db2.gz UHWFOGMBNYUFDL-KFKAGJAMSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000282613645 279388551 /nfs/dbraw/zinc/38/85/51/279388551.db2.gz LCDMOCDSIKRKNW-IAQYHMDHSA-N 2 2 320.234 3.311 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000111240626 431199378 /nfs/dbraw/zinc/19/93/78/431199378.db2.gz PUMBMOOWPYNZSC-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000111240626 431199387 /nfs/dbraw/zinc/19/93/87/431199387.db2.gz PUMBMOOWPYNZSC-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cncs1 ZINC000271556333 279456079 /nfs/dbraw/zinc/45/60/79/279456079.db2.gz WARRVSWYZYLXEJ-KBPBESRZSA-N 2 2 316.474 3.414 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423137659 279463255 /nfs/dbraw/zinc/46/32/55/279463255.db2.gz WREKXWUBJAEPIH-DANNLKNASA-N 2 2 322.399 3.299 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000069627091 431205409 /nfs/dbraw/zinc/20/54/09/431205409.db2.gz GBOKFQXLURCAIW-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000069627091 431205415 /nfs/dbraw/zinc/20/54/15/431205415.db2.gz GBOKFQXLURCAIW-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)s1 ZINC000069720626 431215198 /nfs/dbraw/zinc/21/51/98/431215198.db2.gz KFLZUFYXQNGNBS-JTQLQIEISA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)s1 ZINC000069720626 431215206 /nfs/dbraw/zinc/21/52/06/431215206.db2.gz KFLZUFYXQNGNBS-JTQLQIEISA-N 2 2 303.269 3.214 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000071147531 431273728 /nfs/dbraw/zinc/27/37/28/431273728.db2.gz CLZIMFOJMHSSEN-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000071147531 431273731 /nfs/dbraw/zinc/27/37/31/431273731.db2.gz CLZIMFOJMHSSEN-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113934669 431367631 /nfs/dbraw/zinc/36/76/31/431367631.db2.gz ABOHFSYAQYNLOO-YJBOKZPZSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934669 431367638 /nfs/dbraw/zinc/36/76/38/431367638.db2.gz ABOHFSYAQYNLOO-YJBOKZPZSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934669 431367642 /nfs/dbraw/zinc/36/76/42/431367642.db2.gz ABOHFSYAQYNLOO-YJBOKZPZSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934669 431367650 /nfs/dbraw/zinc/36/76/50/431367650.db2.gz ABOHFSYAQYNLOO-YJBOKZPZSA-N 2 2 318.509 3.123 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000113809352 431363131 /nfs/dbraw/zinc/36/31/31/431363131.db2.gz BBUFZSOLHAEQSC-CQSZACIVSA-N 2 2 317.776 3.218 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000114479063 431389427 /nfs/dbraw/zinc/38/94/27/431389427.db2.gz BFXVFSILTRORGF-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000114479063 431389436 /nfs/dbraw/zinc/38/94/36/431389436.db2.gz BFXVFSILTRORGF-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP Cc1cc(C[NH+](C)CCCCC[N@@H+](C)Cc2cc(C)on2)no1 ZINC000077250974 431579426 /nfs/dbraw/zinc/57/94/26/431579426.db2.gz MLXHQTHGVGZLBB-UHFFFAOYSA-N 2 2 320.437 3.014 20 0 DGADLP Cc1cc(C[NH+](C)CCCCC[N@H+](C)Cc2cc(C)on2)no1 ZINC000077250974 431579429 /nfs/dbraw/zinc/57/94/29/431579429.db2.gz MLXHQTHGVGZLBB-UHFFFAOYSA-N 2 2 320.437 3.014 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167844 431657364 /nfs/dbraw/zinc/65/73/64/431657364.db2.gz UBOYFSJFNIVZKE-AAEUAGOBSA-N 2 2 302.340 3.015 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167844 431657370 /nfs/dbraw/zinc/65/73/70/431657370.db2.gz UBOYFSJFNIVZKE-AAEUAGOBSA-N 2 2 302.340 3.015 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000119112202 431648767 /nfs/dbraw/zinc/64/87/67/431648767.db2.gz YVPFTUHZUWCDKG-DNVCBOLYSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000119112202 431648774 /nfs/dbraw/zinc/64/87/74/431648774.db2.gz YVPFTUHZUWCDKG-DNVCBOLYSA-N 2 2 324.472 3.409 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000120490968 431729220 /nfs/dbraw/zinc/72/92/20/431729220.db2.gz MOGSSJWQPMZQJI-NJAFHUGGSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000120490968 431729224 /nfs/dbraw/zinc/72/92/24/431729224.db2.gz MOGSSJWQPMZQJI-NJAFHUGGSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[NH+]1CCC(C)CC1 ZINC000121514925 431798539 /nfs/dbraw/zinc/79/85/39/431798539.db2.gz HSWZMNRWPCTEJS-XDNAFOTISA-N 2 2 306.494 3.044 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2sccc2Br)CC[C@@H]1[NH3+] ZINC000122781532 431844394 /nfs/dbraw/zinc/84/43/94/431844394.db2.gz BTTODYAERTXVPN-KOLCDFICSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2sccc2Br)CC[C@@H]1[NH3+] ZINC000122781532 431844395 /nfs/dbraw/zinc/84/43/95/431844395.db2.gz BTTODYAERTXVPN-KOLCDFICSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000122818338 431845001 /nfs/dbraw/zinc/84/50/01/431845001.db2.gz PTHHSVSUBHFKDC-FZMZJTMJSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000122818338 431845004 /nfs/dbraw/zinc/84/50/04/431845004.db2.gz PTHHSVSUBHFKDC-FZMZJTMJSA-N 2 2 315.230 3.147 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000040592031 431857613 /nfs/dbraw/zinc/85/76/13/431857613.db2.gz VGIPIGCDMFVNAE-GFCCVEGCSA-N 2 2 302.340 3.017 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000040592031 431857615 /nfs/dbraw/zinc/85/76/15/431857615.db2.gz VGIPIGCDMFVNAE-GFCCVEGCSA-N 2 2 302.340 3.017 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000123575756 431868739 /nfs/dbraw/zinc/86/87/39/431868739.db2.gz VZDXEUXRBWREEA-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000123575756 431868742 /nfs/dbraw/zinc/86/87/42/431868742.db2.gz VZDXEUXRBWREEA-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000035014778 431821341 /nfs/dbraw/zinc/82/13/41/431821341.db2.gz OVBNQWPGBCCBJJ-UHFFFAOYSA-N 2 2 306.422 3.413 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(Br)cs2)CC[C@@H]1[NH3+] ZINC000122365893 431830218 /nfs/dbraw/zinc/83/02/18/431830218.db2.gz CXPDIHCJDYQOQN-CABZTGNLSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)cs2)CC[C@@H]1[NH3+] ZINC000122365893 431830221 /nfs/dbraw/zinc/83/02/21/431830221.db2.gz CXPDIHCJDYQOQN-CABZTGNLSA-N 2 2 303.269 3.070 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219891 431837334 /nfs/dbraw/zinc/83/73/34/431837334.db2.gz MNHBSJRHKXYQBU-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017707 431912855 /nfs/dbraw/zinc/91/28/55/431912855.db2.gz RIFDKUQHUKPSIV-BKHFDQEPSA-N 2 2 314.473 3.134 20 0 DGADLP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017707 431912856 /nfs/dbraw/zinc/91/28/56/431912856.db2.gz RIFDKUQHUKPSIV-BKHFDQEPSA-N 2 2 314.473 3.134 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCn2cccn2)CC1 ZINC000093299846 431914367 /nfs/dbraw/zinc/91/43/67/431914367.db2.gz YYNPTUTYOZXDBT-UHFFFAOYSA-N 2 2 323.444 3.132 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000044530722 431874775 /nfs/dbraw/zinc/87/47/75/431874775.db2.gz XHCURYIJEWMHKJ-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000044530722 431874777 /nfs/dbraw/zinc/87/47/77/431874777.db2.gz XHCURYIJEWMHKJ-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP CCC(CC)[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000124141499 431884145 /nfs/dbraw/zinc/88/41/45/431884145.db2.gz MQANCMINSUVTJJ-SFHVURJKSA-N 3 2 318.509 3.006 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(Br)c2)CC[N@@H+]1C ZINC000090721671 431895287 /nfs/dbraw/zinc/89/52/87/431895287.db2.gz KCHFFXXGJZLEOJ-GXSJLCMTSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(Br)c2)CC[N@H+]1C ZINC000090721671 431895289 /nfs/dbraw/zinc/89/52/89/431895289.db2.gz KCHFFXXGJZLEOJ-GXSJLCMTSA-N 2 2 303.269 3.083 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913982 431897194 /nfs/dbraw/zinc/89/71/94/431897194.db2.gz DGUUGFNHHMFMLF-HKBOAZHASA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913982 431897196 /nfs/dbraw/zinc/89/71/96/431897196.db2.gz DGUUGFNHHMFMLF-HKBOAZHASA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913983 431897672 /nfs/dbraw/zinc/89/76/72/431897672.db2.gz DGUUGFNHHMFMLF-QHAWAJNXSA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913983 431897673 /nfs/dbraw/zinc/89/76/73/431897673.db2.gz DGUUGFNHHMFMLF-QHAWAJNXSA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913980 431897889 /nfs/dbraw/zinc/89/78/89/431897889.db2.gz DGUUGFNHHMFMLF-ACRUOGEOSA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000090913980 431897892 /nfs/dbraw/zinc/89/78/92/431897892.db2.gz DGUUGFNHHMFMLF-ACRUOGEOSA-N 2 2 324.468 3.363 20 0 DGADLP CC[C@@H]1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000051350080 431950984 /nfs/dbraw/zinc/95/09/84/431950984.db2.gz IICNKQAJPCNZME-SJORKVTESA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000051350080 431950985 /nfs/dbraw/zinc/95/09/85/431950985.db2.gz IICNKQAJPCNZME-SJORKVTESA-N 2 2 315.461 3.136 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000126476020 431951413 /nfs/dbraw/zinc/95/14/13/431951413.db2.gz KOVVOPCZNAYVKC-AWEZNQCLSA-N 2 2 324.432 3.204 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000126715006 431956323 /nfs/dbraw/zinc/95/63/23/431956323.db2.gz QDXLAZNSDJJISB-JTQLQIEISA-N 2 2 315.230 3.333 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126824992 431958828 /nfs/dbraw/zinc/95/88/28/431958828.db2.gz HEAYZBVFIHAOLS-CABCVRRESA-N 2 2 316.474 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126824992 431958829 /nfs/dbraw/zinc/95/88/29/431958829.db2.gz HEAYZBVFIHAOLS-CABCVRRESA-N 2 2 316.474 3.101 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2noc(C(C)C)n2)CC1 ZINC000054337460 431969353 /nfs/dbraw/zinc/96/93/53/431969353.db2.gz SONPSQCXKIUTTC-UHFFFAOYSA-N 2 2 308.470 3.137 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2noc(C(C)C)n2)CC1 ZINC000054337460 431969355 /nfs/dbraw/zinc/96/93/55/431969355.db2.gz SONPSQCXKIUTTC-UHFFFAOYSA-N 2 2 308.470 3.137 20 0 DGADLP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336241 281004818 /nfs/dbraw/zinc/00/48/18/281004818.db2.gz LAEORSGALYMKTL-XJKSGUPXSA-N 2 2 316.449 3.361 20 0 DGADLP Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336241 281004819 /nfs/dbraw/zinc/00/48/19/281004819.db2.gz LAEORSGALYMKTL-XJKSGUPXSA-N 2 2 316.449 3.361 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248137879 432271017 /nfs/dbraw/zinc/27/10/17/432271017.db2.gz PHULWXNSTOOVNI-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248137879 432271021 /nfs/dbraw/zinc/27/10/21/432271021.db2.gz PHULWXNSTOOVNI-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248137879 432271023 /nfs/dbraw/zinc/27/10/23/432271023.db2.gz PHULWXNSTOOVNI-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248137879 432271027 /nfs/dbraw/zinc/27/10/27/432271027.db2.gz PHULWXNSTOOVNI-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000191521549 432273349 /nfs/dbraw/zinc/27/33/49/432273349.db2.gz QYFQWPQAIKZGFH-CQSZACIVSA-N 2 2 319.453 3.425 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000191521549 432273352 /nfs/dbraw/zinc/27/33/52/432273352.db2.gz QYFQWPQAIKZGFH-CQSZACIVSA-N 2 2 319.453 3.425 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCS2 ZINC000191523362 432274871 /nfs/dbraw/zinc/27/48/71/432274871.db2.gz HDSRKEMLJKZEIS-IIYDPXPESA-N 2 2 318.486 3.447 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCS2 ZINC000191523362 432274874 /nfs/dbraw/zinc/27/48/74/432274874.db2.gz HDSRKEMLJKZEIS-IIYDPXPESA-N 2 2 318.486 3.447 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151807336 432279253 /nfs/dbraw/zinc/27/92/53/432279253.db2.gz RGKMSTHFDSTHHK-DYESRHJHSA-N 2 2 324.468 3.065 20 0 DGADLP CC(C)(Cc1ccc(Br)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000270913796 432302617 /nfs/dbraw/zinc/30/26/17/432302617.db2.gz UBVGALYLQMHHSD-UHFFFAOYSA-N 2 2 322.250 3.257 20 0 DGADLP Cc1ccc(C)c(OC2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000183166399 432264784 /nfs/dbraw/zinc/26/47/84/432264784.db2.gz OAFNMEAYHIYGEI-UHFFFAOYSA-N 2 2 313.445 3.433 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nccn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000191443224 432265299 /nfs/dbraw/zinc/26/52/99/432265299.db2.gz YKKWTSYKIIWHEN-AEFFLSMTSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000191443224 432265306 /nfs/dbraw/zinc/26/53/06/432265306.db2.gz YKKWTSYKIIWHEN-AEFFLSMTSA-N 2 2 321.428 3.152 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248824581 432319972 /nfs/dbraw/zinc/31/99/72/432319972.db2.gz GPYUUPNHLVFQMQ-HKUYNNGSSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248824581 432319977 /nfs/dbraw/zinc/31/99/77/432319977.db2.gz GPYUUPNHLVFQMQ-HKUYNNGSSA-N 2 2 311.429 3.182 20 0 DGADLP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034144 432324694 /nfs/dbraw/zinc/32/46/94/432324694.db2.gz PUIJNFLCCJIZFZ-RBUKOAKNSA-N 2 2 313.445 3.306 20 0 DGADLP CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034144 432324697 /nfs/dbraw/zinc/32/46/97/432324697.db2.gz PUIJNFLCCJIZFZ-RBUKOAKNSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000152341799 432326242 /nfs/dbraw/zinc/32/62/42/432326242.db2.gz ZGTYZFIEUAGCHY-UHFFFAOYSA-N 2 2 318.465 3.475 20 0 DGADLP Cc1ccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000152341799 432326246 /nfs/dbraw/zinc/32/62/46/432326246.db2.gz ZGTYZFIEUAGCHY-UHFFFAOYSA-N 2 2 318.465 3.475 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](COCC(C)C)c2ccco2)CC1 ZINC000152563176 432342114 /nfs/dbraw/zinc/34/21/14/432342114.db2.gz FBUUSGSMTAZQJL-KRWDZBQOSA-N 2 2 308.466 3.457 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175205 432344538 /nfs/dbraw/zinc/34/45/38/432344538.db2.gz UXTQTKVHDBEINT-NVXWUHKLSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175205 432344543 /nfs/dbraw/zinc/34/45/43/432344543.db2.gz UXTQTKVHDBEINT-NVXWUHKLSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000271185254 432347899 /nfs/dbraw/zinc/34/78/99/432347899.db2.gz FIWIBVZYVKAYQF-NZSAHSFTSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000271185254 432347903 /nfs/dbraw/zinc/34/79/03/432347903.db2.gz FIWIBVZYVKAYQF-NZSAHSFTSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000174514443 432353418 /nfs/dbraw/zinc/35/34/18/432353418.db2.gz OAHYERJVPHYDEK-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000174514443 432353424 /nfs/dbraw/zinc/35/34/24/432353424.db2.gz OAHYERJVPHYDEK-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP COc1ccc(OC)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173948884 432310989 /nfs/dbraw/zinc/31/09/89/432310989.db2.gz JLJMQXPMVXZDAG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(OC)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173948884 432310993 /nfs/dbraw/zinc/31/09/93/432310993.db2.gz JLJMQXPMVXZDAG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(OC)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173948884 432310999 /nfs/dbraw/zinc/31/09/99/432310999.db2.gz JLJMQXPMVXZDAG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(OC)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000173948884 432311002 /nfs/dbraw/zinc/31/10/02/432311002.db2.gz JLJMQXPMVXZDAG-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000184277014 432374167 /nfs/dbraw/zinc/37/41/67/432374167.db2.gz WLKCWCGAYKWBAY-MRXNPFEDSA-N 2 2 319.518 3.402 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000253189189 432387713 /nfs/dbraw/zinc/38/77/13/432387713.db2.gz KFOUHOBCPIZFTD-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000253189189 432387719 /nfs/dbraw/zinc/38/77/19/432387719.db2.gz KFOUHOBCPIZFTD-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP c1cc2c(s1)CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152798152 432358282 /nfs/dbraw/zinc/35/82/82/432358282.db2.gz BNNKTZPFVJSGHD-OAHLLOKOSA-N 2 2 301.459 3.491 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000271296770 432369141 /nfs/dbraw/zinc/36/91/41/432369141.db2.gz NWADSGSOONZHTA-COXVUDFISA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000271296770 432369144 /nfs/dbraw/zinc/36/91/44/432369144.db2.gz NWADSGSOONZHTA-COXVUDFISA-N 2 2 319.836 3.153 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000261556013 432430206 /nfs/dbraw/zinc/43/02/06/432430206.db2.gz VNVLLOKNDGJRBX-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000153745222 432439619 /nfs/dbraw/zinc/43/96/19/432439619.db2.gz CXIYHAXPGNONPI-OAHLLOKOSA-N 2 2 304.434 3.360 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000153745222 432439622 /nfs/dbraw/zinc/43/96/22/432439622.db2.gz CXIYHAXPGNONPI-OAHLLOKOSA-N 2 2 304.434 3.360 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261753932 432449201 /nfs/dbraw/zinc/44/92/01/432449201.db2.gz LHYWPAAEVJSTMI-AWEZNQCLSA-N 2 2 303.233 3.173 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261753932 432449204 /nfs/dbraw/zinc/44/92/04/432449204.db2.gz LHYWPAAEVJSTMI-AWEZNQCLSA-N 2 2 303.233 3.173 20 0 DGADLP CCc1ccc([C@H]2C[NH2+]CCN2Cc2[nH+]ccn2C(C)C)cc1 ZINC000261764227 432449416 /nfs/dbraw/zinc/44/94/16/432449416.db2.gz OFFNEQHKUDZHHF-GOSISDBHSA-N 2 2 312.461 3.173 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c2ncccc12 ZINC000261784191 432449970 /nfs/dbraw/zinc/44/99/70/432449970.db2.gz SDQMCAQHPPONOV-UHFFFAOYSA-N 2 2 313.420 3.338 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]12 ZINC000261778982 432450446 /nfs/dbraw/zinc/45/04/46/432450446.db2.gz WRTFMOUFTVVOEF-LERXQTSPSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]12 ZINC000261778982 432450451 /nfs/dbraw/zinc/45/04/51/432450451.db2.gz WRTFMOUFTVVOEF-LERXQTSPSA-N 2 2 302.315 3.014 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261835522 432455137 /nfs/dbraw/zinc/45/51/37/432455137.db2.gz YATLTGCFYQDMMD-FGTMMUONSA-N 2 2 314.477 3.405 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000153487965 432413851 /nfs/dbraw/zinc/41/38/51/432413851.db2.gz WMOAAYAPROPMFZ-CVEARBPZSA-N 2 2 314.429 3.351 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccco1 ZINC000153487965 432413854 /nfs/dbraw/zinc/41/38/54/432413854.db2.gz WMOAAYAPROPMFZ-CVEARBPZSA-N 2 2 314.429 3.351 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272259820 432472600 /nfs/dbraw/zinc/47/26/00/432472600.db2.gz ZWKMNPRFGAFIEN-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259820 432472602 /nfs/dbraw/zinc/47/26/02/432472602.db2.gz ZWKMNPRFGAFIEN-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@@H]1[NH3+] ZINC000262106249 432474070 /nfs/dbraw/zinc/47/40/70/432474070.db2.gz WAHKZFFVQDZLKB-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@@H]1[NH3+] ZINC000262106249 432474075 /nfs/dbraw/zinc/47/40/75/432474075.db2.gz WAHKZFFVQDZLKB-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCO[C@H]3CC(C)C)c[nH+]c12 ZINC000185199370 432476726 /nfs/dbraw/zinc/47/67/26/432476726.db2.gz QJBCZEALLRRMQB-SJORKVTESA-N 2 2 301.434 3.326 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]Cc1c[nH+]c2ccc(C)cn12)C(C)C ZINC000185234590 432481235 /nfs/dbraw/zinc/48/12/35/432481235.db2.gz KZMVPSOIWGADSQ-GOSISDBHSA-N 2 2 317.433 3.100 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000185295738 432487012 /nfs/dbraw/zinc/48/70/12/432487012.db2.gz QYIIHURDPJQCLR-HZPDHXFCSA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000185295738 432487017 /nfs/dbraw/zinc/48/70/17/432487017.db2.gz QYIIHURDPJQCLR-HZPDHXFCSA-N 2 2 314.473 3.332 20 0 DGADLP CCn1ccnc1C[N@H+](Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262012323 432466948 /nfs/dbraw/zinc/46/69/48/432466948.db2.gz MJAQWZXQKBTARV-SFHVURJKSA-N 2 2 324.472 3.047 20 0 DGADLP CCn1ccnc1C[N@@H+](Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262012323 432466956 /nfs/dbraw/zinc/46/69/56/432466956.db2.gz MJAQWZXQKBTARV-SFHVURJKSA-N 2 2 324.472 3.047 20 0 DGADLP CCC[N@H+](Cc1nc2ccc(OC)cc2s1)C1CC[NH2+]CC1 ZINC000262037012 432469502 /nfs/dbraw/zinc/46/95/02/432469502.db2.gz XUERDBJFQIZVMW-UHFFFAOYSA-N 2 2 319.474 3.269 20 0 DGADLP CCC[N@@H+](Cc1nc2ccc(OC)cc2s1)C1CC[NH2+]CC1 ZINC000262037012 432469505 /nfs/dbraw/zinc/46/95/05/432469505.db2.gz XUERDBJFQIZVMW-UHFFFAOYSA-N 2 2 319.474 3.269 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033089 432469934 /nfs/dbraw/zinc/46/99/34/432469934.db2.gz ZAFSSKSSCYUESV-TZMCWYRMSA-N 2 2 324.852 3.061 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033089 432469938 /nfs/dbraw/zinc/46/99/38/432469938.db2.gz ZAFSSKSSCYUESV-TZMCWYRMSA-N 2 2 324.852 3.061 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000273124646 432555433 /nfs/dbraw/zinc/55/54/33/432555433.db2.gz AHFHOJLMIGQBMG-LJQANCHMSA-N 2 2 313.420 3.384 20 0 DGADLP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000194356055 432544520 /nfs/dbraw/zinc/54/45/20/432544520.db2.gz VCAARDSZXSTZBZ-LPHOPBHVSA-N 2 2 310.445 3.126 20 0 DGADLP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000194356055 432544524 /nfs/dbraw/zinc/54/45/24/432544524.db2.gz VCAARDSZXSTZBZ-LPHOPBHVSA-N 2 2 310.445 3.126 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273569460 432613002 /nfs/dbraw/zinc/61/30/02/432613002.db2.gz XWKKQOYKRMKCPM-MSOLQXFVSA-N 2 2 317.408 3.264 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273569460 432613007 /nfs/dbraw/zinc/61/30/07/432613007.db2.gz XWKKQOYKRMKCPM-MSOLQXFVSA-N 2 2 317.408 3.264 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000177357711 432615134 /nfs/dbraw/zinc/61/51/34/432615134.db2.gz CJCYSBDCGCRECQ-DLBZAZTESA-N 2 2 312.457 3.459 20 0 DGADLP COc1ccc([C@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177013436 432575672 /nfs/dbraw/zinc/57/56/72/432575672.db2.gz ONTLCDPIJJWNEY-HNNXBMFYSA-N 2 2 322.412 3.469 20 0 DGADLP COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177013436 432575676 /nfs/dbraw/zinc/57/56/76/432575676.db2.gz ONTLCDPIJJWNEY-HNNXBMFYSA-N 2 2 322.412 3.469 20 0 DGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1SC ZINC000194880997 432584577 /nfs/dbraw/zinc/58/45/77/432584577.db2.gz LIQXRJIENPHKIW-GJZGRUSLSA-N 2 2 308.491 3.170 20 0 DGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1SC ZINC000194880997 432584582 /nfs/dbraw/zinc/58/45/82/432584582.db2.gz LIQXRJIENPHKIW-GJZGRUSLSA-N 2 2 308.491 3.170 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000177093262 432585228 /nfs/dbraw/zinc/58/52/28/432585228.db2.gz MLFGXLBUEIDLIR-LBPRGKRZSA-N 2 2 322.250 3.380 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396954 432591283 /nfs/dbraw/zinc/59/12/83/432591283.db2.gz UMQONUUTYKARMM-XJKSGUPXSA-N 2 2 316.445 3.047 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396954 432591286 /nfs/dbraw/zinc/59/12/86/432591286.db2.gz UMQONUUTYKARMM-XJKSGUPXSA-N 2 2 316.445 3.047 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc2C1 ZINC000177173791 432593823 /nfs/dbraw/zinc/59/38/23/432593823.db2.gz UTKDRGQHRRQTRL-LJQANCHMSA-N 2 2 318.424 3.257 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc2C1 ZINC000177173791 432593824 /nfs/dbraw/zinc/59/38/24/432593824.db2.gz UTKDRGQHRRQTRL-LJQANCHMSA-N 2 2 318.424 3.257 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(F)c1Br ZINC000156673173 432603616 /nfs/dbraw/zinc/60/36/16/432603616.db2.gz ATVNRYAIAHGKGF-UHFFFAOYSA-N 2 2 317.246 3.266 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CCCC3)[nH+]c12 ZINC000273482984 432603839 /nfs/dbraw/zinc/60/38/39/432603839.db2.gz VAEJPIYNROIWQJ-UHFFFAOYSA-N 2 2 322.250 3.480 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177581219 432639748 /nfs/dbraw/zinc/63/97/48/432639748.db2.gz RSPZRRFYHFEZDG-LJQANCHMSA-N 2 2 321.424 3.220 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)C1CC1 ZINC000177391470 432618307 /nfs/dbraw/zinc/61/83/07/432618307.db2.gz FJDLLWVARXMHEZ-AWEZNQCLSA-N 2 2 303.450 3.048 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000247976407 288394620 /nfs/dbraw/zinc/39/46/20/288394620.db2.gz GLEUGTCZGRRNJM-RWQQGDIJSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000247976407 288394621 /nfs/dbraw/zinc/39/46/21/288394621.db2.gz GLEUGTCZGRRNJM-RWQQGDIJSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000247976407 288394622 /nfs/dbraw/zinc/39/46/22/288394622.db2.gz GLEUGTCZGRRNJM-RWQQGDIJSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000247976407 288394623 /nfs/dbraw/zinc/39/46/23/288394623.db2.gz GLEUGTCZGRRNJM-RWQQGDIJSA-N 2 2 302.462 3.321 20 0 DGADLP Brc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217642172 432657061 /nfs/dbraw/zinc/65/70/61/432657061.db2.gz SICAMEMQZYAOAI-CABCVRRESA-N 2 2 309.251 3.166 20 0 DGADLP Brc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217642172 432657065 /nfs/dbraw/zinc/65/70/65/432657065.db2.gz SICAMEMQZYAOAI-CABCVRRESA-N 2 2 309.251 3.166 20 0 DGADLP Fc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000274383184 432660228 /nfs/dbraw/zinc/66/02/28/432660228.db2.gz TWRDXXALFYRYOK-MRXNPFEDSA-N 2 2 305.441 3.309 20 0 DGADLP Fc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000274383184 432660232 /nfs/dbraw/zinc/66/02/32/432660232.db2.gz TWRDXXALFYRYOK-MRXNPFEDSA-N 2 2 305.441 3.309 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158891052 432661889 /nfs/dbraw/zinc/66/18/89/432661889.db2.gz JLSMCRQYLJJSNR-RBSFLKMASA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158891052 432661893 /nfs/dbraw/zinc/66/18/93/432661893.db2.gz JLSMCRQYLJJSNR-RBSFLKMASA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158891052 432661897 /nfs/dbraw/zinc/66/18/97/432661897.db2.gz JLSMCRQYLJJSNR-RBSFLKMASA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158891052 432661900 /nfs/dbraw/zinc/66/19/00/432661900.db2.gz JLSMCRQYLJJSNR-RBSFLKMASA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000274408005 432664516 /nfs/dbraw/zinc/66/45/16/432664516.db2.gz HGMNXGUFRXTKTA-YWZLYKJASA-N 2 2 322.456 3.354 20 0 DGADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221278044 432667231 /nfs/dbraw/zinc/66/72/31/432667231.db2.gz VMSFYGIDMLHUOZ-WFASDCNBSA-N 2 2 311.267 3.442 20 0 DGADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221278044 432667235 /nfs/dbraw/zinc/66/72/35/432667235.db2.gz VMSFYGIDMLHUOZ-WFASDCNBSA-N 2 2 311.267 3.442 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000188101140 432703743 /nfs/dbraw/zinc/70/37/43/432703743.db2.gz PGNPZXBVYNTWLT-JKSUJKDBSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188101140 432703745 /nfs/dbraw/zinc/70/37/45/432703745.db2.gz PGNPZXBVYNTWLT-JKSUJKDBSA-N 2 2 312.461 3.346 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000274762703 432705026 /nfs/dbraw/zinc/70/50/26/432705026.db2.gz PLMSAKNRTJRFNB-MNEFBYGVSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000274762703 432705030 /nfs/dbraw/zinc/70/50/30/432705030.db2.gz PLMSAKNRTJRFNB-MNEFBYGVSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000274762700 432705812 /nfs/dbraw/zinc/70/58/12/432705812.db2.gz PLMSAKNRTJRFNB-LZQZEXGQSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000274762700 432705815 /nfs/dbraw/zinc/70/58/15/432705815.db2.gz PLMSAKNRTJRFNB-LZQZEXGQSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000226392553 432706398 /nfs/dbraw/zinc/70/63/98/432706398.db2.gz MXNHLLXDUNFRDB-ZJUUUORDSA-N 2 2 314.252 3.446 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000226449280 432706543 /nfs/dbraw/zinc/70/65/43/432706543.db2.gz BDLMZZBXMXAPDC-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000226449280 432706547 /nfs/dbraw/zinc/70/65/47/432706547.db2.gz BDLMZZBXMXAPDC-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC[C@@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+](CC)CC ZINC000265563457 432710286 /nfs/dbraw/zinc/71/02/86/432710286.db2.gz GADUFTNSDSGLMW-INIZCTEOSA-N 2 2 314.433 3.146 20 0 DGADLP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1Cl ZINC000274821825 432713216 /nfs/dbraw/zinc/71/32/16/432713216.db2.gz YMTJIVBDRGLQHF-OAHLLOKOSA-N 2 2 323.799 3.115 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000178284778 432714847 /nfs/dbraw/zinc/71/48/47/432714847.db2.gz GMSRJFFODAKBIN-YOEHRIQHSA-N 2 2 319.836 3.043 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccccc1Cl ZINC000178284778 432714849 /nfs/dbraw/zinc/71/48/49/432714849.db2.gz GMSRJFFODAKBIN-YOEHRIQHSA-N 2 2 319.836 3.043 20 0 DGADLP CCn1nc(C[NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000274479328 432671965 /nfs/dbraw/zinc/67/19/65/432671965.db2.gz XIRAHYZDYODMTE-UHFFFAOYSA-N 2 2 323.444 3.433 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159221194 432675634 /nfs/dbraw/zinc/67/56/34/432675634.db2.gz GSRKUNZAMVCKPF-MNEFBYGVSA-N 2 2 313.445 3.464 20 0 DGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000177939551 432675682 /nfs/dbraw/zinc/67/56/82/432675682.db2.gz SXLSHGROYYCKRT-SFHVURJKSA-N 2 2 311.429 3.306 20 0 DGADLP CC(C)COCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236615417 432750789 /nfs/dbraw/zinc/75/07/89/432750789.db2.gz ZHFCXOBRQAWWDJ-LJQANCHMSA-N 2 2 304.478 3.303 20 0 DGADLP CC(C)COCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236615417 432750793 /nfs/dbraw/zinc/75/07/93/432750793.db2.gz ZHFCXOBRQAWWDJ-LJQANCHMSA-N 2 2 304.478 3.303 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000236646336 432753933 /nfs/dbraw/zinc/75/39/33/432753933.db2.gz OPWIZWXFOINPNV-UHFFFAOYSA-N 3 2 312.461 3.225 20 0 DGADLP c1cc2c(cccc2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)[nH]1 ZINC000236742130 432762626 /nfs/dbraw/zinc/76/26/26/432762626.db2.gz HYUCEDRTSAJVQW-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP c1cc2cccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)c2[nH]1 ZINC000236742176 432762912 /nfs/dbraw/zinc/76/29/12/432762912.db2.gz ZZARSWQIYQFQBR-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP COc1ccccc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237187889 432779991 /nfs/dbraw/zinc/77/99/91/432779991.db2.gz JRWLVMYHLPTBMV-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237187889 432779994 /nfs/dbraw/zinc/77/99/94/432779994.db2.gz JRWLVMYHLPTBMV-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OCC ZINC000178825102 432780713 /nfs/dbraw/zinc/78/07/13/432780713.db2.gz VYGGMNCAQYIMME-UHFFFAOYSA-N 2 2 320.477 3.446 20 0 DGADLP CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000188579909 432732662 /nfs/dbraw/zinc/73/26/62/432732662.db2.gz CFDWYCIITOQAQD-HXUWFJFHSA-N 2 2 323.440 3.498 20 0 DGADLP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000188579909 432732666 /nfs/dbraw/zinc/73/26/66/432732666.db2.gz CFDWYCIITOQAQD-HXUWFJFHSA-N 2 2 323.440 3.498 20 0 DGADLP C[C@H](SCc1c[nH+]cn1C)[C@H](C)SCc1c[nH+]cn1C ZINC000276604214 432821965 /nfs/dbraw/zinc/82/19/65/432821965.db2.gz QIUQXRARCVDAMZ-RYUDHWBXSA-N 2 2 310.492 3.097 20 0 DGADLP Clc1c[nH+]ccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000267216712 432823632 /nfs/dbraw/zinc/82/36/32/432823632.db2.gz CKQASILFRABJBC-QGZVFWFLSA-N 2 2 317.820 3.220 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444565 432831410 /nfs/dbraw/zinc/83/14/10/432831410.db2.gz JTHGLLUORNCPRE-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444565 432831411 /nfs/dbraw/zinc/83/14/11/432831411.db2.gz JTHGLLUORNCPRE-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444565 432831414 /nfs/dbraw/zinc/83/14/14/432831414.db2.gz JTHGLLUORNCPRE-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444565 432831415 /nfs/dbraw/zinc/83/14/15/432831415.db2.gz JTHGLLUORNCPRE-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP C[C@]1(c2ccccc2)C[N@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000161554903 432785879 /nfs/dbraw/zinc/78/58/79/432785879.db2.gz IVEXXLRWBBKYFS-LJQANCHMSA-N 2 2 302.462 3.110 20 0 DGADLP C[C@]1(c2ccccc2)C[N@@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000161554903 432785881 /nfs/dbraw/zinc/78/58/81/432785881.db2.gz IVEXXLRWBBKYFS-LJQANCHMSA-N 2 2 302.462 3.110 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000276295226 432793023 /nfs/dbraw/zinc/79/30/23/432793023.db2.gz ISNVIUPGFZQWFI-GOSISDBHSA-N 2 2 314.477 3.442 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000276295226 432793026 /nfs/dbraw/zinc/79/30/26/432793026.db2.gz ISNVIUPGFZQWFI-GOSISDBHSA-N 2 2 314.477 3.442 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000268025713 432838425 /nfs/dbraw/zinc/83/84/25/432838425.db2.gz JCPIYUPOHHEWDV-HIFRSBDPSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000268025713 432838426 /nfs/dbraw/zinc/83/84/26/432838426.db2.gz JCPIYUPOHHEWDV-HIFRSBDPSA-N 2 2 300.368 3.439 20 0 DGADLP Cc1cccc(OCC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000267069013 432811202 /nfs/dbraw/zinc/81/12/02/432811202.db2.gz OATPQNVSXINYPO-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1cccc(OCC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000267069013 432811204 /nfs/dbraw/zinc/81/12/04/432811204.db2.gz OATPQNVSXINYPO-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000162132414 432813105 /nfs/dbraw/zinc/81/31/05/432813105.db2.gz BLPBSGBHPNZKCF-XLIONFOSSA-N 3 2 315.505 3.032 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000162132414 432813107 /nfs/dbraw/zinc/81/31/07/432813107.db2.gz BLPBSGBHPNZKCF-XLIONFOSSA-N 3 2 315.505 3.032 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1n1cc[nH+]c1 ZINC000268422474 432870931 /nfs/dbraw/zinc/87/09/31/432870931.db2.gz QQGVXSBVHUNDRH-UONOGXRCSA-N 2 2 302.422 3.252 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1n1cc[nH+]c1 ZINC000268422474 432870933 /nfs/dbraw/zinc/87/09/33/432870933.db2.gz QQGVXSBVHUNDRH-UONOGXRCSA-N 2 2 302.422 3.252 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000330079955 432892362 /nfs/dbraw/zinc/89/23/62/432892362.db2.gz OSGZXSLAWZQWER-QGZVFWFLSA-N 2 2 312.417 3.101 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCC ZINC000277406054 432847184 /nfs/dbraw/zinc/84/71/84/432847184.db2.gz ZRVFHVQIAJVIRN-QGZVFWFLSA-N 2 2 320.477 3.400 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCC ZINC000277406054 432847186 /nfs/dbraw/zinc/84/71/86/432847186.db2.gz ZRVFHVQIAJVIRN-QGZVFWFLSA-N 2 2 320.477 3.400 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC000163240337 432847735 /nfs/dbraw/zinc/84/77/35/432847735.db2.gz RTQQRIKIWJJCCW-XYJFISCASA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC000163240337 432847737 /nfs/dbraw/zinc/84/77/37/432847737.db2.gz RTQQRIKIWJJCCW-XYJFISCASA-N 2 2 310.445 3.180 20 0 DGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000245640235 432852192 /nfs/dbraw/zinc/85/21/92/432852192.db2.gz DEZOWZXMSHSXOB-PKOBYXMFSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000245640235 432852193 /nfs/dbraw/zinc/85/21/93/432852193.db2.gz DEZOWZXMSHSXOB-PKOBYXMFSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000245640235 432852195 /nfs/dbraw/zinc/85/21/95/432852195.db2.gz DEZOWZXMSHSXOB-PKOBYXMFSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000245640235 432852198 /nfs/dbraw/zinc/85/21/98/432852198.db2.gz DEZOWZXMSHSXOB-PKOBYXMFSA-N 2 2 324.472 3.003 20 0 DGADLP C[N@H+](Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289224596 432935932 /nfs/dbraw/zinc/93/59/32/432935932.db2.gz CRMQMGXDPFEODG-JWTNVVGKSA-N 2 2 314.473 3.457 20 0 DGADLP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289224596 432935935 /nfs/dbraw/zinc/93/59/35/432935935.db2.gz CRMQMGXDPFEODG-JWTNVVGKSA-N 2 2 314.473 3.457 20 0 DGADLP C[NH+](Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289224596 432935937 /nfs/dbraw/zinc/93/59/37/432935937.db2.gz CRMQMGXDPFEODG-JWTNVVGKSA-N 2 2 314.473 3.457 20 0 DGADLP C[NH+](Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289224596 432935940 /nfs/dbraw/zinc/93/59/40/432935940.db2.gz CRMQMGXDPFEODG-JWTNVVGKSA-N 2 2 314.473 3.457 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289253337 432938418 /nfs/dbraw/zinc/93/84/18/432938418.db2.gz BQHNFYAJSSIJRG-DYVFJYSZSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCc1c[nH+]cn1C ZINC000289253337 432938422 /nfs/dbraw/zinc/93/84/22/432938422.db2.gz BQHNFYAJSSIJRG-DYVFJYSZSA-N 2 2 319.836 3.078 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279143027 432939648 /nfs/dbraw/zinc/93/96/48/432939648.db2.gz ZLKWITNIOLQVDB-GOSISDBHSA-N 2 2 323.396 3.439 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279143027 432939652 /nfs/dbraw/zinc/93/96/52/432939652.db2.gz ZLKWITNIOLQVDB-GOSISDBHSA-N 2 2 323.396 3.439 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000289285533 432941834 /nfs/dbraw/zinc/94/18/34/432941834.db2.gz PAZYBYMDWGMOAQ-HNNXBMFYSA-N 2 2 323.440 3.192 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000289317761 432944259 /nfs/dbraw/zinc/94/42/59/432944259.db2.gz STGLSUMCTLXCJS-UHFFFAOYSA-N 2 2 308.429 3.421 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000289362481 432949549 /nfs/dbraw/zinc/94/95/49/432949549.db2.gz YVSXJEGMSDISAZ-UHFFFAOYSA-N 2 2 320.440 3.341 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000278793742 432901745 /nfs/dbraw/zinc/90/17/45/432901745.db2.gz QNHMJRQOYNJICT-CABCVRRESA-N 2 2 322.449 3.085 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000278793742 432901748 /nfs/dbraw/zinc/90/17/48/432901748.db2.gz QNHMJRQOYNJICT-CABCVRRESA-N 2 2 322.449 3.085 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000278881346 432911377 /nfs/dbraw/zinc/91/13/77/432911377.db2.gz ZNMSLJLYNJVTCS-WMZOPIPTSA-N 2 2 304.503 3.240 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000278881346 432911380 /nfs/dbraw/zinc/91/13/80/432911380.db2.gz ZNMSLJLYNJVTCS-WMZOPIPTSA-N 2 2 304.503 3.240 20 0 DGADLP COc1ccc2c(c1)nc(C[NH2+]CCCc1c[nH+]ccc1C)n2C ZINC000289064131 432918289 /nfs/dbraw/zinc/91/82/89/432918289.db2.gz ARTFGGNRYSSMDH-UHFFFAOYSA-N 2 2 324.428 3.008 20 0 DGADLP Cn1c(CCC[NH2+]Cc2ncc(Cl)s2)[nH+]c2ccccc21 ZINC000349664413 432988612 /nfs/dbraw/zinc/98/86/12/432988612.db2.gz HENWQJDHRVCHHM-UHFFFAOYSA-N 2 2 320.849 3.406 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000290136917 432997630 /nfs/dbraw/zinc/99/76/30/432997630.db2.gz ZUGVEUZDCRRXJP-CRAIPNDOSA-N 2 2 315.461 3.216 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000290136917 432997635 /nfs/dbraw/zinc/99/76/35/432997635.db2.gz ZUGVEUZDCRRXJP-CRAIPNDOSA-N 2 2 315.461 3.216 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000279930341 432997970 /nfs/dbraw/zinc/99/79/70/432997970.db2.gz APRXQCPJFDQVMO-LJQANCHMSA-N 2 2 324.472 3.052 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H](O)C(C)(C)C ZINC000290136926 432998428 /nfs/dbraw/zinc/99/84/28/432998428.db2.gz ZUGVEUZDCRRXJP-QAPCUYQASA-N 2 2 315.461 3.216 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](O)C(C)(C)C ZINC000290136926 432998433 /nfs/dbraw/zinc/99/84/33/432998433.db2.gz ZUGVEUZDCRRXJP-QAPCUYQASA-N 2 2 315.461 3.216 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000349761689 433005324 /nfs/dbraw/zinc/00/53/24/433005324.db2.gz YVULASMUGKSNMQ-IBGZPJMESA-N 2 2 304.397 3.102 20 0 DGADLP CN(Cc1c[nH+]c2ccccn12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349818727 433015025 /nfs/dbraw/zinc/01/50/25/433015025.db2.gz LYSUOVRPCIMVGM-SFHVURJKSA-N 2 2 320.440 3.041 20 0 DGADLP CN(Cc1c[nH+]c2ccccn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349818727 433015029 /nfs/dbraw/zinc/01/50/29/433015029.db2.gz LYSUOVRPCIMVGM-SFHVURJKSA-N 2 2 320.440 3.041 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc(Cl)c1O ZINC000297777935 433016952 /nfs/dbraw/zinc/01/69/52/433016952.db2.gz VZMNIECZMLTAII-IAQYHMDHSA-N 2 2 324.852 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccon1 ZINC000349827768 433017447 /nfs/dbraw/zinc/01/74/47/433017447.db2.gz DKIWLVLJDCJEEE-LKCYJCQHSA-N 2 2 311.429 3.236 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccon1 ZINC000349827768 433017450 /nfs/dbraw/zinc/01/74/50/433017450.db2.gz DKIWLVLJDCJEEE-LKCYJCQHSA-N 2 2 311.429 3.236 20 0 DGADLP Cc1ccc2[nH+]c(CNc3cccc(OCC[NH+](C)C)c3)cn2c1 ZINC000341293520 433020441 /nfs/dbraw/zinc/02/04/41/433020441.db2.gz WLEPCYMWVHJMPR-UHFFFAOYSA-N 2 2 324.428 3.195 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250252 433020980 /nfs/dbraw/zinc/02/09/80/433020980.db2.gz UENNFNDQIBBYMU-GGPKGHCWSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250252 433020984 /nfs/dbraw/zinc/02/09/84/433020984.db2.gz UENNFNDQIBBYMU-GGPKGHCWSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250252 433020992 /nfs/dbraw/zinc/02/09/92/433020992.db2.gz UENNFNDQIBBYMU-GGPKGHCWSA-N 3 2 317.521 3.215 20 0 DGADLP CCO[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000341310455 433023296 /nfs/dbraw/zinc/02/32/96/433023296.db2.gz NBACFMJRZROLJX-IBGZPJMESA-N 2 2 319.493 3.087 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1c[nH]c2nccnc12)c1ccccc1 ZINC000290324167 433031632 /nfs/dbraw/zinc/03/16/32/433031632.db2.gz AFWYITPKIKMEEB-AWEZNQCLSA-N 2 2 323.444 3.177 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000341342688 433033829 /nfs/dbraw/zinc/03/38/29/433033829.db2.gz MGJYTLKJVBEKLT-GXTWGEPZSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000341342688 433033833 /nfs/dbraw/zinc/03/38/33/433033833.db2.gz MGJYTLKJVBEKLT-GXTWGEPZSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1O ZINC000297933693 433034611 /nfs/dbraw/zinc/03/46/11/433034611.db2.gz URXSOFPUCRFJQI-KRWDZBQOSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1O ZINC000297933693 433034615 /nfs/dbraw/zinc/03/46/15/433034615.db2.gz URXSOFPUCRFJQI-KRWDZBQOSA-N 2 2 318.461 3.099 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000290480346 433063483 /nfs/dbraw/zinc/06/34/83/433063483.db2.gz VIFLWFUQSVRNLQ-INIZCTEOSA-N 2 2 322.811 3.438 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(OC(F)F)cc1)CCC2 ZINC000372950210 433066600 /nfs/dbraw/zinc/06/66/00/433066600.db2.gz PRKNVEVQVXQKGD-AWEZNQCLSA-N 2 2 321.371 3.460 20 0 DGADLP CCc1ccc([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000298244099 433068370 /nfs/dbraw/zinc/06/83/70/433068370.db2.gz CQVCDPKDIUSFHZ-FQEVSTJZSA-N 2 2 315.505 3.068 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)c1 ZINC000419750319 433069264 /nfs/dbraw/zinc/06/92/64/433069264.db2.gz RIROWXBMGNGEKT-UHFFFAOYSA-N 2 2 314.477 3.170 20 0 DGADLP c1cn2c(cccc2C[NH2+]CC2CCN(c3ccccc3)CC2)[nH+]1 ZINC000280516298 433070126 /nfs/dbraw/zinc/07/01/26/433070126.db2.gz HGRMGXHSVSUXMQ-UHFFFAOYSA-N 2 2 320.440 3.341 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000453316327 433086146 /nfs/dbraw/zinc/08/61/46/433086146.db2.gz KFOFIPNNHIITMI-MAUKXSAKSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000453316327 433086160 /nfs/dbraw/zinc/08/61/60/433086160.db2.gz KFOFIPNNHIITMI-MAUKXSAKSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290624749 433122618 /nfs/dbraw/zinc/12/26/18/433122618.db2.gz XMVDDYURYFTBRL-IBGZPJMESA-N 2 2 315.436 3.354 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC000354513885 433123697 /nfs/dbraw/zinc/12/36/97/433123697.db2.gz ZSGKXHSOZOTLPF-LJQANCHMSA-N 3 2 301.478 3.177 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC000354513885 433123702 /nfs/dbraw/zinc/12/37/02/433123702.db2.gz ZSGKXHSOZOTLPF-LJQANCHMSA-N 3 2 301.478 3.177 20 0 DGADLP Cn1c[nH+]c2cc(N[C@@H](c3[nH]cc[nH+]3)c3ccccc3)ccc21 ZINC000446915726 433128922 /nfs/dbraw/zinc/12/89/22/433128922.db2.gz XIEJSURZZCWFJF-QGZVFWFLSA-N 2 2 303.369 3.498 20 0 DGADLP c1cn([C@@H]2CCc3ccccc3[C@H]2[NH2+]C[C@@H]2CCC=CO2)c[nH+]1 ZINC000290663317 433133917 /nfs/dbraw/zinc/13/39/17/433133917.db2.gz ZUWBKGWESBMAMJ-QXAKKESOSA-N 2 2 309.413 3.394 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000453384077 433137388 /nfs/dbraw/zinc/13/73/88/433137388.db2.gz ZIEHMPSSUGRLLY-OXJNMPFZSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000453384077 433137396 /nfs/dbraw/zinc/13/73/96/433137396.db2.gz ZIEHMPSSUGRLLY-OXJNMPFZSA-N 2 2 324.472 3.094 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420263428 433139985 /nfs/dbraw/zinc/13/99/85/433139985.db2.gz SOPBOCJNYYDINU-UONOGXRCSA-N 2 2 316.493 3.117 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccnc(N3CCCCC3)c2)c[nH+]1 ZINC000354564715 433150317 /nfs/dbraw/zinc/15/03/17/433150317.db2.gz JEDVPOAMJHXZSO-UHFFFAOYSA-N 2 2 324.472 3.498 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000420306577 433154792 /nfs/dbraw/zinc/15/47/92/433154792.db2.gz LFWLCJDSSOTPDC-QGZVFWFLSA-N 2 2 308.853 3.313 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000420306577 433154800 /nfs/dbraw/zinc/15/48/00/433154800.db2.gz LFWLCJDSSOTPDC-QGZVFWFLSA-N 2 2 308.853 3.313 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420310297 433153001 /nfs/dbraw/zinc/15/30/01/433153001.db2.gz GHIRUWHTHDKQNN-MRXNPFEDSA-N 2 2 323.412 3.259 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420310297 433153016 /nfs/dbraw/zinc/15/30/16/433153016.db2.gz GHIRUWHTHDKQNN-MRXNPFEDSA-N 2 2 323.412 3.259 20 0 DGADLP COc1cccc(OCCC[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354469051 433102335 /nfs/dbraw/zinc/10/23/35/433102335.db2.gz UPNPVPDLYTZMGH-UHFFFAOYSA-N 2 2 314.429 3.390 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000361319298 433104085 /nfs/dbraw/zinc/10/40/85/433104085.db2.gz BULMZASSOPKRTA-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000361319298 433104097 /nfs/dbraw/zinc/10/40/97/433104097.db2.gz BULMZASSOPKRTA-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc2ccccc2[nH]1 ZINC000298369462 433110828 /nfs/dbraw/zinc/11/08/28/433110828.db2.gz KPMOZBDFQHSNOM-SFHVURJKSA-N 2 2 312.461 3.476 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822287 433111204 /nfs/dbraw/zinc/11/12/04/433111204.db2.gz VYPBXJLNJAFHPX-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822287 433111214 /nfs/dbraw/zinc/11/12/14/433111214.db2.gz VYPBXJLNJAFHPX-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000290605205 433111634 /nfs/dbraw/zinc/11/16/34/433111634.db2.gz WEQNJCOQVQRPSH-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000290605205 433111639 /nfs/dbraw/zinc/11/16/39/433111639.db2.gz WEQNJCOQVQRPSH-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000290605205 433111653 /nfs/dbraw/zinc/11/16/53/433111653.db2.gz WEQNJCOQVQRPSH-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000290605205 433111661 /nfs/dbraw/zinc/11/16/61/433111661.db2.gz WEQNJCOQVQRPSH-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446853253 433117399 /nfs/dbraw/zinc/11/73/99/433117399.db2.gz OOWLUJFZWWHOFP-MRXNPFEDSA-N 2 2 304.478 3.425 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446853253 433117410 /nfs/dbraw/zinc/11/74/10/433117410.db2.gz OOWLUJFZWWHOFP-MRXNPFEDSA-N 2 2 304.478 3.425 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420310296 433155152 /nfs/dbraw/zinc/15/51/52/433155152.db2.gz GHIRUWHTHDKQNN-INIZCTEOSA-N 2 2 323.412 3.259 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420310296 433155159 /nfs/dbraw/zinc/15/51/59/433155159.db2.gz GHIRUWHTHDKQNN-INIZCTEOSA-N 2 2 323.412 3.259 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305094 433156815 /nfs/dbraw/zinc/15/68/15/433156815.db2.gz JSFZRFNEUIMAGY-GHMZBOCLSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305094 433156827 /nfs/dbraw/zinc/15/68/27/433156827.db2.gz JSFZRFNEUIMAGY-GHMZBOCLSA-N 2 2 323.412 3.257 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2nc(-c3c(F)cccc3F)cs2)CCC1 ZINC000420313013 433159196 /nfs/dbraw/zinc/15/91/96/433159196.db2.gz TUSALSQJYBPLFX-UHFFFAOYSA-N 2 2 309.385 3.059 20 0 DGADLP Cc1c(Br)cccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420313672 433160542 /nfs/dbraw/zinc/16/05/42/433160542.db2.gz JHLZQIPBQWAWNU-CQSZACIVSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420313672 433160553 /nfs/dbraw/zinc/16/05/53/433160553.db2.gz JHLZQIPBQWAWNU-CQSZACIVSA-N 2 2 309.251 3.084 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)O1 ZINC000453408895 433161369 /nfs/dbraw/zinc/16/13/69/433161369.db2.gz NYBCBEQGDYJHET-RHSMWYFYSA-N 2 2 322.880 3.462 20 0 DGADLP Cc1ccc(NC(=O)[C@@H]([NH2+]CC2([NH3+])CCC2)c2ccccc2)cc1 ZINC000420312108 433162054 /nfs/dbraw/zinc/16/20/54/433162054.db2.gz RPGZOLCVNUEZQU-SFHVURJKSA-N 2 2 323.440 3.146 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H](c2ccco2)C1 ZINC000425330141 433167428 /nfs/dbraw/zinc/16/74/28/433167428.db2.gz AUNDNCFNBPMNKD-ZFWWWQNUSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H](c2ccco2)C1 ZINC000425330141 433167434 /nfs/dbraw/zinc/16/74/34/433167434.db2.gz AUNDNCFNBPMNKD-ZFWWWQNUSA-N 2 2 302.422 3.052 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+](Cc2ccccc2)CC2CCC2)n1C ZINC000425326481 433169219 /nfs/dbraw/zinc/16/92/19/433169219.db2.gz NTZMOJYWDRIGJI-UHFFFAOYSA-N 2 2 312.461 3.288 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+](Cc2ccccc2)CC2CCC2)n1C ZINC000425326481 433169229 /nfs/dbraw/zinc/16/92/29/433169229.db2.gz NTZMOJYWDRIGJI-UHFFFAOYSA-N 2 2 312.461 3.288 20 0 DGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335221 433172448 /nfs/dbraw/zinc/17/24/48/433172448.db2.gz IEBPPVPASSSDIF-DYVFJYSZSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335221 433172457 /nfs/dbraw/zinc/17/24/57/433172457.db2.gz IEBPPVPASSSDIF-DYVFJYSZSA-N 2 2 316.424 3.208 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420356815 433174570 /nfs/dbraw/zinc/17/45/70/433174570.db2.gz GPOQYDPMISFUIC-AWEZNQCLSA-N 2 2 305.447 3.189 20 0 DGADLP Cc1sc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)c1C ZINC000420361093 433176587 /nfs/dbraw/zinc/17/65/87/433176587.db2.gz HRLDOVKIDNHQMB-HNNXBMFYSA-N 2 2 323.506 3.109 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)c1 ZINC000420352934 433177041 /nfs/dbraw/zinc/17/70/41/433177041.db2.gz BCARVURBIFWXNX-OAHLLOKOSA-N 2 2 319.474 3.282 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420352951 433177587 /nfs/dbraw/zinc/17/75/87/433177587.db2.gz BAIUTUSJFSHJQC-SFHVURJKSA-N 2 2 317.477 3.246 20 0 DGADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1c1ccccc1 ZINC000425340313 433178148 /nfs/dbraw/zinc/17/81/48/433178148.db2.gz VKVPTBNNSLAKIH-MAUKXSAKSA-N 2 2 312.461 3.112 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1c1ccccc1 ZINC000425340313 433178157 /nfs/dbraw/zinc/17/81/57/433178157.db2.gz VKVPTBNNSLAKIH-MAUKXSAKSA-N 2 2 312.461 3.112 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420363601 433182810 /nfs/dbraw/zinc/18/28/10/433182810.db2.gz OCTAFKHNJBQYFX-GOSISDBHSA-N 2 2 313.445 3.124 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000420365637 433183418 /nfs/dbraw/zinc/18/34/18/433183418.db2.gz QJXVNOLDWXZMCU-MRXNPFEDSA-N 2 2 315.486 3.212 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000420365732 433184402 /nfs/dbraw/zinc/18/44/02/433184402.db2.gz FIQUCDWAHWPKDG-AWEZNQCLSA-N 2 2 320.824 3.158 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719362 433187887 /nfs/dbraw/zinc/18/78/87/433187887.db2.gz RYQJKAJFFWLJBJ-LAVFITLUSA-N 2 2 302.462 3.053 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719362 433187897 /nfs/dbraw/zinc/18/78/97/433187897.db2.gz RYQJKAJFFWLJBJ-LAVFITLUSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000354630831 433188644 /nfs/dbraw/zinc/18/86/44/433188644.db2.gz KZVZKXNUAQTXND-VDGAXYAQSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000354630831 433188653 /nfs/dbraw/zinc/18/86/53/433188653.db2.gz KZVZKXNUAQTXND-VDGAXYAQSA-N 2 2 316.489 3.302 20 0 DGADLP c1csc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)no2)c1 ZINC000420380541 433188898 /nfs/dbraw/zinc/18/88/98/433188898.db2.gz CDJXDRQLIKMXOZ-ZFWWWQNUSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)no2)c1 ZINC000420380541 433188907 /nfs/dbraw/zinc/18/89/07/433188907.db2.gz CDJXDRQLIKMXOZ-ZFWWWQNUSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336723877 433189457 /nfs/dbraw/zinc/18/94/57/433189457.db2.gz WSZJKEUPUTWFIQ-KUHUBIRLSA-N 2 2 314.404 3.284 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000336723877 433189465 /nfs/dbraw/zinc/18/94/65/433189465.db2.gz WSZJKEUPUTWFIQ-KUHUBIRLSA-N 2 2 314.404 3.284 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c[nH+]1 ZINC000354635422 433193171 /nfs/dbraw/zinc/19/31/71/433193171.db2.gz QWZRNQXDKHDMFG-AVRDEDQJSA-N 2 2 316.470 3.032 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382749 433193524 /nfs/dbraw/zinc/19/35/24/433193524.db2.gz DDFWNKZNYAGDSO-DLBZAZTESA-N 2 2 311.429 3.306 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382749 433193532 /nfs/dbraw/zinc/19/35/32/433193532.db2.gz DDFWNKZNYAGDSO-DLBZAZTESA-N 2 2 311.429 3.306 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000420381713 433194543 /nfs/dbraw/zinc/19/45/43/433194543.db2.gz ZGOLZNQIROSXRI-ISTVAULSSA-N 2 2 315.230 3.064 20 0 DGADLP CSc1ccccc1C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392211 433195542 /nfs/dbraw/zinc/19/55/42/433195542.db2.gz UWELRJOIXUXNAY-DOTOQJQBSA-N 2 2 316.445 3.474 20 0 DGADLP CSc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392211 433195549 /nfs/dbraw/zinc/19/55/49/433195549.db2.gz UWELRJOIXUXNAY-DOTOQJQBSA-N 2 2 316.445 3.474 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)n1 ZINC000420399472 433196721 /nfs/dbraw/zinc/19/67/21/433196721.db2.gz HYZWWGSDWUOTJY-HNNXBMFYSA-N 2 2 314.433 3.285 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420398648 433198200 /nfs/dbraw/zinc/19/82/00/433198200.db2.gz NMSFUEUULXUNOD-KGLIPLIRSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420398648 433198207 /nfs/dbraw/zinc/19/82/07/433198207.db2.gz NMSFUEUULXUNOD-KGLIPLIRSA-N 2 2 307.507 3.405 20 0 DGADLP C[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000420420629 433200159 /nfs/dbraw/zinc/20/01/59/433200159.db2.gz YBKNDTRBLDCYNC-AAEUAGOBSA-N 2 2 321.371 3.037 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000420420629 433200164 /nfs/dbraw/zinc/20/01/64/433200164.db2.gz YBKNDTRBLDCYNC-AAEUAGOBSA-N 2 2 321.371 3.037 20 0 DGADLP [NH3+]Cc1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)no1 ZINC000420408170 433200731 /nfs/dbraw/zinc/20/07/31/433200731.db2.gz PCLSWQGRMQXSAI-INIZCTEOSA-N 2 2 320.824 3.203 20 0 DGADLP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425369347 433205900 /nfs/dbraw/zinc/20/59/00/433205900.db2.gz LUAYHLXGPYTKLB-QGZVFWFLSA-N 2 2 316.424 3.271 20 0 DGADLP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425369347 433205909 /nfs/dbraw/zinc/20/59/09/433205909.db2.gz LUAYHLXGPYTKLB-QGZVFWFLSA-N 2 2 316.424 3.271 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000361500628 433212021 /nfs/dbraw/zinc/21/20/21/433212021.db2.gz HGNIQMFQDIMTAL-INIZCTEOSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361500628 433212027 /nfs/dbraw/zinc/21/20/27/433212027.db2.gz HGNIQMFQDIMTAL-INIZCTEOSA-N 2 2 313.445 3.164 20 0 DGADLP COCC[C@@H](Cc1ccco1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354669017 433214950 /nfs/dbraw/zinc/21/49/50/433214950.db2.gz UEGZIGBOQAYTGQ-KRWDZBQOSA-N 2 2 302.418 3.153 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccccc1F ZINC000425379692 433217665 /nfs/dbraw/zinc/21/76/65/433217665.db2.gz LASPDDOMAIYHOG-UHFFFAOYSA-N 2 2 318.440 3.167 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000425382955 433218390 /nfs/dbraw/zinc/21/83/90/433218390.db2.gz ORPUTDRUBDRZRR-UHFFFAOYSA-N 2 2 318.440 3.167 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1C ZINC000425388109 433219403 /nfs/dbraw/zinc/21/94/03/433219403.db2.gz VXRCYUIIXIMVGA-GUDVDZBRSA-N 2 2 324.472 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1C ZINC000425388109 433219408 /nfs/dbraw/zinc/21/94/08/433219408.db2.gz VXRCYUIIXIMVGA-GUDVDZBRSA-N 2 2 324.472 3.254 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280902349 433219770 /nfs/dbraw/zinc/21/97/70/433219770.db2.gz RHBHFOLYCIWINK-KUHUBIRLSA-N 2 2 323.396 3.202 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)CC1 ZINC000341706647 433227323 /nfs/dbraw/zinc/22/73/23/433227323.db2.gz QPHXFUUEALFNMI-ZDUSSCGKSA-N 2 2 316.474 3.340 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)nc1 ZINC000453609026 433236235 /nfs/dbraw/zinc/23/62/35/433236235.db2.gz ZJYCVGLSOBCKFD-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)nc1 ZINC000453609026 433236241 /nfs/dbraw/zinc/23/62/41/433236241.db2.gz ZJYCVGLSOBCKFD-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP COc1cc2[nH+]ccc(NCc3cc(C)[nH+]c(C)c3)c2cc1OC ZINC000420651299 433244042 /nfs/dbraw/zinc/24/40/42/433244042.db2.gz JLPMYAHGZYKOAB-UHFFFAOYSA-N 2 2 323.396 3.298 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341869380 433326366 /nfs/dbraw/zinc/32/63/66/433326366.db2.gz APOJNIGRBNGEPD-GUDVDZBRSA-N 2 2 302.462 3.056 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341869380 433326372 /nfs/dbraw/zinc/32/63/72/433326372.db2.gz APOJNIGRBNGEPD-GUDVDZBRSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281178162 433270438 /nfs/dbraw/zinc/27/04/38/433270438.db2.gz ASKOTLUKCSGFNC-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281178162 433270447 /nfs/dbraw/zinc/27/04/47/433270447.db2.gz ASKOTLUKCSGFNC-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000350743199 433274390 /nfs/dbraw/zinc/27/43/90/433274390.db2.gz GCVRUBIXQCYVRA-INIZCTEOSA-N 2 2 305.466 3.181 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000350743199 433274397 /nfs/dbraw/zinc/27/43/97/433274397.db2.gz GCVRUBIXQCYVRA-INIZCTEOSA-N 2 2 305.466 3.181 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000338231762 433281685 /nfs/dbraw/zinc/28/16/85/433281685.db2.gz FIKJKUZVGYYGKU-LJQANCHMSA-N 3 2 309.542 3.162 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000338231762 433281693 /nfs/dbraw/zinc/28/16/93/433281693.db2.gz FIKJKUZVGYYGKU-LJQANCHMSA-N 3 2 309.542 3.162 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447835437 433293800 /nfs/dbraw/zinc/29/38/00/433293800.db2.gz UBBZWZITPLZWDV-WMZOPIPTSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447835437 433293807 /nfs/dbraw/zinc/29/38/07/433293807.db2.gz UBBZWZITPLZWDV-WMZOPIPTSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1csc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374895255 433300434 /nfs/dbraw/zinc/30/04/34/433300434.db2.gz MRQJJDNDJMMCSW-RDJZCZTQSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895255 433300442 /nfs/dbraw/zinc/30/04/42/433300442.db2.gz MRQJJDNDJMMCSW-RDJZCZTQSA-N 2 2 315.486 3.452 20 0 DGADLP CC(C)C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833114 433301761 /nfs/dbraw/zinc/30/17/61/433301761.db2.gz OEBLIMRRORKIDP-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833114 433301767 /nfs/dbraw/zinc/30/17/67/433301767.db2.gz OEBLIMRRORKIDP-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833114 433301776 /nfs/dbraw/zinc/30/17/76/433301776.db2.gz OEBLIMRRORKIDP-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833114 433301787 /nfs/dbraw/zinc/30/17/87/433301787.db2.gz OEBLIMRRORKIDP-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341869378 433325817 /nfs/dbraw/zinc/32/58/17/433325817.db2.gz APOJNIGRBNGEPD-GBESFXJTSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831346 433302883 /nfs/dbraw/zinc/30/28/83/433302883.db2.gz IUSYGPLVZYBERX-IBGZPJMESA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831346 433302888 /nfs/dbraw/zinc/30/28/88/433302888.db2.gz IUSYGPLVZYBERX-IBGZPJMESA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831346 433302893 /nfs/dbraw/zinc/30/28/93/433302893.db2.gz IUSYGPLVZYBERX-IBGZPJMESA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831346 433302899 /nfs/dbraw/zinc/30/28/99/433302899.db2.gz IUSYGPLVZYBERX-IBGZPJMESA-N 2 2 302.462 3.150 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341869378 433325823 /nfs/dbraw/zinc/32/58/23/433325823.db2.gz APOJNIGRBNGEPD-GBESFXJTSA-N 2 2 302.462 3.056 20 0 DGADLP CC[N@H+](CC(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341833589 433303414 /nfs/dbraw/zinc/30/34/14/433303414.db2.gz GDDNJPFRXRNSKF-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP CC[N@@H+](CC(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341833589 433303425 /nfs/dbraw/zinc/30/34/25/433303425.db2.gz GDDNJPFRXRNSKF-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP CC[NH+](CC(C)C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341833589 433303434 /nfs/dbraw/zinc/30/34/34/433303434.db2.gz GDDNJPFRXRNSKF-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP CC[NH+](CC(C)C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341833589 433303441 /nfs/dbraw/zinc/30/34/41/433303441.db2.gz GDDNJPFRXRNSKF-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP C[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837935 433305894 /nfs/dbraw/zinc/30/58/94/433305894.db2.gz XWHUKNFUAKNHOA-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837935 433305905 /nfs/dbraw/zinc/30/59/05/433305905.db2.gz XWHUKNFUAKNHOA-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837935 433305916 /nfs/dbraw/zinc/30/59/16/433305916.db2.gz XWHUKNFUAKNHOA-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837935 433305926 /nfs/dbraw/zinc/30/59/26/433305926.db2.gz XWHUKNFUAKNHOA-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+](Cc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907222 433308319 /nfs/dbraw/zinc/30/83/19/433308319.db2.gz UWHUBVPKMVZUHS-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP C[N@@H+](Cc1cccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907222 433308329 /nfs/dbraw/zinc/30/83/29/433308329.db2.gz UWHUBVPKMVZUHS-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899253 433345206 /nfs/dbraw/zinc/34/52/06/433345206.db2.gz GQCSOXCMCIDFTC-UXHICEINSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899253 433345212 /nfs/dbraw/zinc/34/52/12/433345212.db2.gz GQCSOXCMCIDFTC-UXHICEINSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899253 433345222 /nfs/dbraw/zinc/34/52/22/433345222.db2.gz GQCSOXCMCIDFTC-UXHICEINSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899253 433345230 /nfs/dbraw/zinc/34/52/30/433345230.db2.gz GQCSOXCMCIDFTC-UXHICEINSA-N 2 2 314.473 3.009 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC000448028433 433349917 /nfs/dbraw/zinc/34/99/17/433349917.db2.gz OOJOFDCFDVILST-TWMKSMIVSA-N 2 2 324.509 3.064 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC000448028433 433349923 /nfs/dbraw/zinc/34/99/23/433349923.db2.gz OOJOFDCFDVILST-TWMKSMIVSA-N 2 2 324.509 3.064 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000448026670 433352138 /nfs/dbraw/zinc/35/21/38/433352138.db2.gz JGYNNTFWXDXDLC-IAGOWNOFSA-N 2 2 318.509 3.158 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000448026670 433352145 /nfs/dbraw/zinc/35/21/45/433352145.db2.gz JGYNNTFWXDXDLC-IAGOWNOFSA-N 2 2 318.509 3.158 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000420973327 433361449 /nfs/dbraw/zinc/36/14/49/433361449.db2.gz MYXBZTVDLDQOHU-FQEVSTJZSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H](CC3CC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000420973327 433361452 /nfs/dbraw/zinc/36/14/52/433361452.db2.gz MYXBZTVDLDQOHU-FQEVSTJZSA-N 2 2 314.473 3.141 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066126 433371533 /nfs/dbraw/zinc/37/15/33/433371533.db2.gz PGLVTSZJEHFQPA-AEFFLSMTSA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066126 433371539 /nfs/dbraw/zinc/37/15/39/433371539.db2.gz PGLVTSZJEHFQPA-AEFFLSMTSA-N 2 2 320.477 3.011 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C2 ZINC000425923646 433373919 /nfs/dbraw/zinc/37/39/19/433373919.db2.gz SPZIUQKINLXEOA-AZUAARDMSA-N 2 2 324.468 3.445 20 0 DGADLP C[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000339067700 433339987 /nfs/dbraw/zinc/33/99/87/433339987.db2.gz KTGSMZGMSBCVIK-GPMSIDNRSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000339067700 433339997 /nfs/dbraw/zinc/33/99/97/433339997.db2.gz KTGSMZGMSBCVIK-GPMSIDNRSA-N 2 2 302.462 3.227 20 0 DGADLP CC[N@H+](CC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341893080 433340180 /nfs/dbraw/zinc/34/01/80/433340180.db2.gz RECBVOYASCYDDV-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP CC[N@@H+](CC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341893080 433340183 /nfs/dbraw/zinc/34/01/83/433340183.db2.gz RECBVOYASCYDDV-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+](CC1CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341893080 433340187 /nfs/dbraw/zinc/34/01/87/433340187.db2.gz RECBVOYASCYDDV-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+](CC1CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341893080 433340196 /nfs/dbraw/zinc/34/01/96/433340196.db2.gz RECBVOYASCYDDV-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@H](C)[NH+]2CCCCCC2)n1 ZINC000351233640 433431826 /nfs/dbraw/zinc/43/18/26/433431826.db2.gz MAZJOAQLIBFGAD-AWEZNQCLSA-N 2 2 300.406 3.301 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448355971 433394317 /nfs/dbraw/zinc/39/43/17/433394317.db2.gz QNWVDMJAEDGLMY-CRAIPNDOSA-N 2 2 304.478 3.423 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448355971 433394327 /nfs/dbraw/zinc/39/43/27/433394327.db2.gz QNWVDMJAEDGLMY-CRAIPNDOSA-N 2 2 304.478 3.423 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)C2 ZINC000375266718 433400378 /nfs/dbraw/zinc/40/03/78/433400378.db2.gz GYBQWJBBNGZTOQ-HNNXBMFYSA-N 2 2 301.821 3.130 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000375271572 433407363 /nfs/dbraw/zinc/40/73/63/433407363.db2.gz ZZKSMRPUHSGFRG-ZDUSSCGKSA-N 2 2 315.417 3.087 20 0 DGADLP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000351200280 433409608 /nfs/dbraw/zinc/40/96/08/433409608.db2.gz JEQYLXYEFIBFRH-XJKSGUPXSA-N 2 2 307.825 3.292 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375325378 433433068 /nfs/dbraw/zinc/43/30/68/433433068.db2.gz ZPLXVOOPOZFJMT-MRXNPFEDSA-N 2 2 316.493 3.082 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375325378 433433077 /nfs/dbraw/zinc/43/30/77/433433077.db2.gz ZPLXVOOPOZFJMT-MRXNPFEDSA-N 2 2 316.493 3.082 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000414200151 433456763 /nfs/dbraw/zinc/45/67/63/433456763.db2.gz AWDYUPRDEBYQDQ-CRAIPNDOSA-N 2 2 304.482 3.036 20 0 DGADLP Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc[nH+]1 ZINC000301221422 433458138 /nfs/dbraw/zinc/45/81/38/433458138.db2.gz ANNNRLQHJMBCQY-UHFFFAOYSA-N 2 2 300.381 3.001 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000414200160 433459433 /nfs/dbraw/zinc/45/94/33/433459433.db2.gz AWDYUPRDEBYQDQ-YJBOKZPZSA-N 2 2 304.482 3.036 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100746 433460660 /nfs/dbraw/zinc/46/06/60/433460660.db2.gz HWFSGUNONDUEQC-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100746 433460671 /nfs/dbraw/zinc/46/06/71/433460671.db2.gz HWFSGUNONDUEQC-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100746 433460676 /nfs/dbraw/zinc/46/06/76/433460676.db2.gz HWFSGUNONDUEQC-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000292100746 433460688 /nfs/dbraw/zinc/46/06/88/433460688.db2.gz HWFSGUNONDUEQC-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000355105544 433465521 /nfs/dbraw/zinc/46/55/21/433465521.db2.gz AJIPKJZXHSVRQQ-LJQANCHMSA-N 2 2 318.461 3.234 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000355105544 433465529 /nfs/dbraw/zinc/46/55/29/433465529.db2.gz AJIPKJZXHSVRQQ-LJQANCHMSA-N 2 2 318.461 3.234 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccc(C4CC4)c3)CC2)CCO1 ZINC000421319247 433470814 /nfs/dbraw/zinc/47/08/14/433470814.db2.gz LLXISVKRYIMZOX-MRXNPFEDSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cccc(C4CC4)c3)CC2)CCO1 ZINC000421319247 433470825 /nfs/dbraw/zinc/47/08/25/433470825.db2.gz LLXISVKRYIMZOX-MRXNPFEDSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361968358 433474943 /nfs/dbraw/zinc/47/49/43/433474943.db2.gz PAQLXLVCEWQUNZ-CSMYWGQOSA-N 2 2 308.466 3.086 20 0 DGADLP COC1CCC(C)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000355129110 433478930 /nfs/dbraw/zinc/47/89/30/433478930.db2.gz VZHNUXPUDFOJFW-UHFFFAOYSA-N 2 2 317.477 3.235 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447130 433513407 /nfs/dbraw/zinc/51/34/07/433513407.db2.gz UPTCASTYWZSOPO-WMLDXEAASA-N 2 2 316.445 3.271 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447130 433513414 /nfs/dbraw/zinc/51/34/14/433513414.db2.gz UPTCASTYWZSOPO-WMLDXEAASA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447130 433513421 /nfs/dbraw/zinc/51/34/21/433513421.db2.gz UPTCASTYWZSOPO-WMLDXEAASA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447130 433513433 /nfs/dbraw/zinc/51/34/33/433513433.db2.gz UPTCASTYWZSOPO-WMLDXEAASA-N 2 2 316.445 3.271 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c[nH+]1 ZINC000355186585 433518827 /nfs/dbraw/zinc/51/88/27/433518827.db2.gz ZPTRDCWBXDDWRL-ZDUSSCGKSA-N 2 2 302.422 3.354 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(C)C ZINC000414300384 433523972 /nfs/dbraw/zinc/52/39/72/433523972.db2.gz SBVBPALSEYBTDP-OQIJWPOYSA-N 2 2 304.478 3.207 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(C)C ZINC000414300384 433523980 /nfs/dbraw/zinc/52/39/80/433523980.db2.gz SBVBPALSEYBTDP-OQIJWPOYSA-N 2 2 304.478 3.207 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@H]12 ZINC000351487903 433526163 /nfs/dbraw/zinc/52/61/63/433526163.db2.gz DGWIVRJLLQAPDV-VNQPRFMTSA-N 2 2 305.491 3.360 20 0 DGADLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355203913 433529965 /nfs/dbraw/zinc/52/99/65/433529965.db2.gz FUNXPUCOAUWNKX-WMZOPIPTSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355203913 433529970 /nfs/dbraw/zinc/52/99/70/433529970.db2.gz FUNXPUCOAUWNKX-WMZOPIPTSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355203913 433529989 /nfs/dbraw/zinc/52/99/89/433529989.db2.gz FUNXPUCOAUWNKX-WMZOPIPTSA-N 2 2 324.472 3.091 20 0 DGADLP CCc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000414313339 433539262 /nfs/dbraw/zinc/53/92/62/433539262.db2.gz OTMHYAVPABKUME-UHFFFAOYSA-N 2 2 324.472 3.102 20 0 DGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128343 433488694 /nfs/dbraw/zinc/48/86/94/433488694.db2.gz MUFOBRLKAFYOFM-AZUAARDMSA-N 2 2 314.473 3.441 20 0 DGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128343 433488700 /nfs/dbraw/zinc/48/87/00/433488700.db2.gz MUFOBRLKAFYOFM-AZUAARDMSA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128343 433488708 /nfs/dbraw/zinc/48/87/08/433488708.db2.gz MUFOBRLKAFYOFM-AZUAARDMSA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128343 433488714 /nfs/dbraw/zinc/48/87/14/433488714.db2.gz MUFOBRLKAFYOFM-AZUAARDMSA-N 2 2 314.473 3.441 20 0 DGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342141239 433497454 /nfs/dbraw/zinc/49/74/54/433497454.db2.gz ZWEGRYDPBBLYOO-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342141239 433497462 /nfs/dbraw/zinc/49/74/62/433497462.db2.gz ZWEGRYDPBBLYOO-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP CCc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000301332725 433509101 /nfs/dbraw/zinc/50/91/01/433509101.db2.gz FEFCWSTUIZUHIU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CCc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000301332725 433509108 /nfs/dbraw/zinc/50/91/08/433509108.db2.gz FEFCWSTUIZUHIU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[N@H+](Cc1nc2ccc(F)cc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758944 433557432 /nfs/dbraw/zinc/55/74/32/433557432.db2.gz BGMAKAALPDHNPC-PBWFPOADSA-N 2 2 303.381 3.024 20 0 DGADLP C[N@@H+](Cc1nc2ccc(F)cc2o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758944 433557437 /nfs/dbraw/zinc/55/74/37/433557437.db2.gz BGMAKAALPDHNPC-PBWFPOADSA-N 2 2 303.381 3.024 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375758944 433557443 /nfs/dbraw/zinc/55/74/43/433557443.db2.gz BGMAKAALPDHNPC-PBWFPOADSA-N 2 2 303.381 3.024 20 0 DGADLP C[NH+](Cc1nc2ccc(F)cc2o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758944 433557448 /nfs/dbraw/zinc/55/74/48/433557448.db2.gz BGMAKAALPDHNPC-PBWFPOADSA-N 2 2 303.381 3.024 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1F ZINC000414356037 433562202 /nfs/dbraw/zinc/56/22/02/433562202.db2.gz DCVUZICNAQUWFM-HNNXBMFYSA-N 2 2 308.376 3.005 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339432161 433579627 /nfs/dbraw/zinc/57/96/27/433579627.db2.gz GIJWOFQJJXMRRE-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339432161 433579633 /nfs/dbraw/zinc/57/96/33/433579633.db2.gz GIJWOFQJJXMRRE-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339432161 433579640 /nfs/dbraw/zinc/57/96/40/433579640.db2.gz GIJWOFQJJXMRRE-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339432161 433579647 /nfs/dbraw/zinc/57/96/47/433579647.db2.gz GIJWOFQJJXMRRE-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000414379515 433581268 /nfs/dbraw/zinc/58/12/68/433581268.db2.gz GYUDPKBWKQIMKV-QGZVFWFLSA-N 2 2 316.493 3.127 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000414379515 433581275 /nfs/dbraw/zinc/58/12/75/433581275.db2.gz GYUDPKBWKQIMKV-QGZVFWFLSA-N 2 2 316.493 3.127 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439071 433585810 /nfs/dbraw/zinc/58/58/10/433585810.db2.gz SRSFGVRQCYCTAJ-SFHVURJKSA-N 2 2 320.864 3.193 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439071 433585813 /nfs/dbraw/zinc/58/58/13/433585813.db2.gz SRSFGVRQCYCTAJ-SFHVURJKSA-N 2 2 320.864 3.193 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439071 433585823 /nfs/dbraw/zinc/58/58/23/433585823.db2.gz SRSFGVRQCYCTAJ-SFHVURJKSA-N 2 2 320.864 3.193 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439071 433585827 /nfs/dbraw/zinc/58/58/27/433585827.db2.gz SRSFGVRQCYCTAJ-SFHVURJKSA-N 2 2 320.864 3.193 20 0 DGADLP Cc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)ccc1Cl ZINC000351571402 433586677 /nfs/dbraw/zinc/58/66/77/433586677.db2.gz XTODEIWRUBDVRY-UHFFFAOYSA-N 2 2 312.804 3.900 20 0 DGADLP CC(C)Oc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351571473 433586892 /nfs/dbraw/zinc/58/68/92/433586892.db2.gz ZIKSEOKIJILUOZ-UHFFFAOYSA-N 2 2 322.412 3.726 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339443972 433590965 /nfs/dbraw/zinc/59/09/65/433590965.db2.gz DGGAOGYCCQCILU-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339443972 433590971 /nfs/dbraw/zinc/59/09/71/433590971.db2.gz DGGAOGYCCQCILU-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP Cc1cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342215007 433542067 /nfs/dbraw/zinc/54/20/67/433542067.db2.gz MTVWLJLKRNVFGX-YJBOKZPZSA-N 2 2 322.456 3.737 20 0 DGADLP Cc1cc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342215007 433542080 /nfs/dbraw/zinc/54/20/80/433542080.db2.gz MTVWLJLKRNVFGX-YJBOKZPZSA-N 2 2 322.456 3.737 20 0 DGADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455537380 433544984 /nfs/dbraw/zinc/54/49/84/433544984.db2.gz WNQWFYVLQIVZEN-CQSZACIVSA-N 2 2 306.454 3.249 20 0 DGADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455537380 433544995 /nfs/dbraw/zinc/54/49/95/433544995.db2.gz WNQWFYVLQIVZEN-CQSZACIVSA-N 2 2 306.454 3.249 20 0 DGADLP C[C@@H](CNc1cc[nH+]c2c(Cl)cccc12)C[NH+]1CCOCC1 ZINC000342351476 433631558 /nfs/dbraw/zinc/63/15/58/433631558.db2.gz RKNXYIYEZYJWAE-ZDUSSCGKSA-N 2 2 319.836 3.268 20 0 DGADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000339520009 433636928 /nfs/dbraw/zinc/63/69/28/433636928.db2.gz XGOQBZNRALBEOH-SFHVURJKSA-N 2 2 313.445 3.151 20 0 DGADLP Cc1cc[nH+]c(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000301619558 433642327 /nfs/dbraw/zinc/64/23/27/433642327.db2.gz CCJASHMJXIAVKE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cc[nH+]c(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000301619558 433642334 /nfs/dbraw/zinc/64/23/34/433642334.db2.gz CCJASHMJXIAVKE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cc[nH+]c(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000301619558 433642341 /nfs/dbraw/zinc/64/23/41/433642341.db2.gz CCJASHMJXIAVKE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cc[nH+]c(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000301619558 433642348 /nfs/dbraw/zinc/64/23/48/433642348.db2.gz CCJASHMJXIAVKE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351580799 433595137 /nfs/dbraw/zinc/59/51/37/433595137.db2.gz MCCNAZSGIXPYCY-YOEHRIQHSA-N 2 2 322.518 3.293 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351580799 433595143 /nfs/dbraw/zinc/59/51/43/433595143.db2.gz MCCNAZSGIXPYCY-YOEHRIQHSA-N 2 2 322.518 3.293 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCCCC2)n1 ZINC000375890399 433604544 /nfs/dbraw/zinc/60/45/44/433604544.db2.gz SGXSKLIWSFBLRB-GVDBMIGSSA-N 2 2 302.466 3.248 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCCC2)n1 ZINC000375890399 433604549 /nfs/dbraw/zinc/60/45/49/433604549.db2.gz SGXSKLIWSFBLRB-GVDBMIGSSA-N 2 2 302.466 3.248 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCCCC2)n1 ZINC000375890401 433605927 /nfs/dbraw/zinc/60/59/27/433605927.db2.gz SGXSKLIWSFBLRB-YESZJQIVSA-N 2 2 302.466 3.248 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCCC2)n1 ZINC000375890401 433605936 /nfs/dbraw/zinc/60/59/36/433605936.db2.gz SGXSKLIWSFBLRB-YESZJQIVSA-N 2 2 302.466 3.248 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ncc[nH]1 ZINC000375896589 433606174 /nfs/dbraw/zinc/60/61/74/433606174.db2.gz YGPGSEQGTQEHHC-GDAAHCPNSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ncc[nH]1 ZINC000375896589 433606184 /nfs/dbraw/zinc/60/61/84/433606184.db2.gz YGPGSEQGTQEHHC-GDAAHCPNSA-N 2 2 324.472 3.361 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000282439498 433610683 /nfs/dbraw/zinc/61/06/83/433610683.db2.gz ZJHBGPYRQUOUKW-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000282439498 433610694 /nfs/dbraw/zinc/61/06/94/433610694.db2.gz ZJHBGPYRQUOUKW-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1nc(NC[C@H](c2ccccc2)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000301560309 433611008 /nfs/dbraw/zinc/61/10/08/433611008.db2.gz KDPCCIYHAZUCFK-GOSISDBHSA-N 2 2 310.445 3.379 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282492196 433611997 /nfs/dbraw/zinc/61/19/97/433611997.db2.gz HTQZINYJEQEPFJ-RTBURBONSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282492196 433612005 /nfs/dbraw/zinc/61/20/05/433612005.db2.gz HTQZINYJEQEPFJ-RTBURBONSA-N 2 2 314.473 3.200 20 0 DGADLP CCc1nc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342343956 433627034 /nfs/dbraw/zinc/62/70/34/433627034.db2.gz CDXKZGDSPVTOJQ-KRWDZBQOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342343956 433627042 /nfs/dbraw/zinc/62/70/42/433627042.db2.gz CDXKZGDSPVTOJQ-KRWDZBQOSA-N 2 2 324.472 3.448 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098330 433652776 /nfs/dbraw/zinc/65/27/76/433652776.db2.gz AEBVMDFANQWEGI-YOEHRIQHSA-N 2 2 320.864 3.313 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427098330 433652787 /nfs/dbraw/zinc/65/27/87/433652787.db2.gz AEBVMDFANQWEGI-YOEHRIQHSA-N 2 2 320.864 3.313 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376080306 433660252 /nfs/dbraw/zinc/66/02/52/433660252.db2.gz IUUFDOWYOLEAOD-KZNAEPCWSA-N 2 2 318.509 3.300 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376080306 433660258 /nfs/dbraw/zinc/66/02/58/433660258.db2.gz IUUFDOWYOLEAOD-KZNAEPCWSA-N 2 2 318.509 3.300 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000351685996 433662229 /nfs/dbraw/zinc/66/22/29/433662229.db2.gz PGAUKZFVMPTXCT-INIZCTEOSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000351685996 433662238 /nfs/dbraw/zinc/66/22/38/433662238.db2.gz PGAUKZFVMPTXCT-INIZCTEOSA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000351712211 433678961 /nfs/dbraw/zinc/67/89/61/433678961.db2.gz NSWWTMOZQIKZNL-INIZCTEOSA-N 2 2 322.452 3.143 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000351712211 433678972 /nfs/dbraw/zinc/67/89/72/433678972.db2.gz NSWWTMOZQIKZNL-INIZCTEOSA-N 2 2 322.452 3.143 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712211 433678983 /nfs/dbraw/zinc/67/89/83/433678983.db2.gz NSWWTMOZQIKZNL-INIZCTEOSA-N 2 2 322.452 3.143 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712211 433678991 /nfs/dbraw/zinc/67/89/91/433678991.db2.gz NSWWTMOZQIKZNL-INIZCTEOSA-N 2 2 322.452 3.143 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000351712212 433679727 /nfs/dbraw/zinc/67/97/27/433679727.db2.gz NSWWTMOZQIKZNL-MRXNPFEDSA-N 2 2 322.452 3.143 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000351712212 433679732 /nfs/dbraw/zinc/67/97/32/433679732.db2.gz NSWWTMOZQIKZNL-MRXNPFEDSA-N 2 2 322.452 3.143 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712212 433679740 /nfs/dbraw/zinc/67/97/40/433679740.db2.gz NSWWTMOZQIKZNL-MRXNPFEDSA-N 2 2 322.452 3.143 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21)C1CC1 ZINC000351712212 433679749 /nfs/dbraw/zinc/67/97/49/433679749.db2.gz NSWWTMOZQIKZNL-MRXNPFEDSA-N 2 2 322.452 3.143 20 0 DGADLP Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c2cccc(F)c2[nH+]1 ZINC000366739791 292983241 /nfs/dbraw/zinc/98/32/41/292983241.db2.gz QISMYTUGCCDLHP-CYBMUJFWSA-N 2 2 310.376 3.410 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)[C@@H](O)C(C)C ZINC000414519392 433684883 /nfs/dbraw/zinc/68/48/83/433684883.db2.gz CFWQMISWRKIUIG-ROUUACIJSA-N 2 2 301.434 3.066 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449031457 433689891 /nfs/dbraw/zinc/68/98/91/433689891.db2.gz VLXLIFSKRCYBLL-INIZCTEOSA-N 2 2 304.482 3.162 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449031457 433689901 /nfs/dbraw/zinc/68/99/01/433689901.db2.gz VLXLIFSKRCYBLL-INIZCTEOSA-N 2 2 304.482 3.162 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000366925701 293005040 /nfs/dbraw/zinc/00/50/40/293005040.db2.gz XAAFWNYBSDHPPQ-ZDUSSCGKSA-N 2 2 307.344 3.011 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000366925701 293005041 /nfs/dbraw/zinc/00/50/41/293005041.db2.gz XAAFWNYBSDHPPQ-ZDUSSCGKSA-N 2 2 307.344 3.011 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427102075 433651928 /nfs/dbraw/zinc/65/19/28/433651928.db2.gz RIWZZGMPXNVYEK-VQIMIIECSA-N 2 2 324.472 3.180 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427102075 433651939 /nfs/dbraw/zinc/65/19/39/433651939.db2.gz RIWZZGMPXNVYEK-VQIMIIECSA-N 2 2 324.472 3.180 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000293318971 433696196 /nfs/dbraw/zinc/69/61/96/433696196.db2.gz WAADRGZRYUPSDX-QXAKKESOSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000293318971 433696205 /nfs/dbraw/zinc/69/62/05/433696205.db2.gz WAADRGZRYUPSDX-QXAKKESOSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000293318971 433696212 /nfs/dbraw/zinc/69/62/12/433696212.db2.gz WAADRGZRYUPSDX-QXAKKESOSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000293318971 433696219 /nfs/dbraw/zinc/69/62/19/433696219.db2.gz WAADRGZRYUPSDX-QXAKKESOSA-N 2 2 302.462 3.179 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000367084340 293023164 /nfs/dbraw/zinc/02/31/64/293023164.db2.gz AICVHYGSHPLOSJ-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000367084340 293023167 /nfs/dbraw/zinc/02/31/67/293023167.db2.gz AICVHYGSHPLOSJ-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1cncc(F)c1)C1CC1)CCC2 ZINC000367085169 293023502 /nfs/dbraw/zinc/02/35/02/293023502.db2.gz DVVBGQLIZRWFTQ-RHSMWYFYSA-N 2 2 314.408 3.344 20 0 DGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367206748 293037514 /nfs/dbraw/zinc/03/75/14/293037514.db2.gz QZACYIBESNPUJA-HOTGVXAUSA-N 2 2 302.397 3.275 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367259636 293044873 /nfs/dbraw/zinc/04/48/73/293044873.db2.gz JDPCPTIFQPRTPF-MOPGFXCFSA-N 2 2 316.489 3.401 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367357621 293060757 /nfs/dbraw/zinc/06/07/57/293060757.db2.gz XRWCNJZKNLLRQF-IBGZPJMESA-N 2 2 314.404 3.055 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367357621 293060758 /nfs/dbraw/zinc/06/07/58/293060758.db2.gz XRWCNJZKNLLRQF-IBGZPJMESA-N 2 2 314.404 3.055 20 0 DGADLP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435382 293071862 /nfs/dbraw/zinc/07/18/62/293071862.db2.gz BRJGAWITZHPCPS-CQSZACIVSA-N 2 2 301.409 3.469 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000367596368 293088552 /nfs/dbraw/zinc/08/85/52/293088552.db2.gz PERXGLINRHRWLJ-DOTOQJQBSA-N 2 2 304.482 3.353 20 0 DGADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CCCCC2)n1 ZINC000367598133 293088765 /nfs/dbraw/zinc/08/87/65/293088765.db2.gz PJPXREKCMSFVSG-GOSISDBHSA-N 2 2 316.493 3.495 20 0 DGADLP [NH2+]=C(NCc1c[nH+]c2n1CCCC2)Nc1cccc2c1CCCC2 ZINC000370265580 293167352 /nfs/dbraw/zinc/16/73/52/293167352.db2.gz ISWSYLONKUHLTK-UHFFFAOYSA-N 2 2 323.444 3.235 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000371278170 293208731 /nfs/dbraw/zinc/20/87/31/293208731.db2.gz WUUJTTAGYILYPQ-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000371278170 293208735 /nfs/dbraw/zinc/20/87/35/293208735.db2.gz WUUJTTAGYILYPQ-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000371323903 293209857 /nfs/dbraw/zinc/20/98/57/293209857.db2.gz SAVYKAWVAXZHLD-HXUWFJFHSA-N 2 2 318.424 3.149 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)[nH+]1 ZINC000371581295 293213613 /nfs/dbraw/zinc/21/36/13/293213613.db2.gz QJXWIEOGSBYCDD-KRWDZBQOSA-N 2 2 317.396 3.131 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)[nH+]1 ZINC000371581295 293213615 /nfs/dbraw/zinc/21/36/15/293213615.db2.gz QJXWIEOGSBYCDD-KRWDZBQOSA-N 2 2 317.396 3.131 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)nn1C ZINC000339660522 433707764 /nfs/dbraw/zinc/70/77/64/433707764.db2.gz HINSIDUBOYDIRU-KRWDZBQOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)nn1C ZINC000339660522 433707771 /nfs/dbraw/zinc/70/77/71/433707771.db2.gz HINSIDUBOYDIRU-KRWDZBQOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nccc(C)n1 ZINC000339659902 433709182 /nfs/dbraw/zinc/70/91/82/433709182.db2.gz COOSAFLONOFOBV-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nccc(C)n1 ZINC000339659902 433709190 /nfs/dbraw/zinc/70/91/90/433709190.db2.gz COOSAFLONOFOBV-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000373015265 293250869 /nfs/dbraw/zinc/25/08/69/293250869.db2.gz RFUZVGSGMQOXRR-SFHVURJKSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000373015265 293250871 /nfs/dbraw/zinc/25/08/71/293250871.db2.gz RFUZVGSGMQOXRR-SFHVURJKSA-N 2 2 318.509 3.384 20 0 DGADLP Cc1cscc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000373294018 293257567 /nfs/dbraw/zinc/25/75/67/293257567.db2.gz WNVGPJRTQIUICI-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000374316149 293383626 /nfs/dbraw/zinc/38/36/26/293383626.db2.gz NVFADRPFFQHSPV-RTBURBONSA-N 2 2 314.473 3.372 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000427515351 433720086 /nfs/dbraw/zinc/72/00/86/433720086.db2.gz SQKATEDAKJTDNJ-KRWDZBQOSA-N 2 2 324.428 3.805 20 0 DGADLP Cc1nc(N2CCC(CCC[NH+]3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301806182 433733518 /nfs/dbraw/zinc/73/35/18/433733518.db2.gz VORNAFMHUXSQPG-UHFFFAOYSA-N 2 2 316.493 3.494 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449285185 433733718 /nfs/dbraw/zinc/73/37/18/433733718.db2.gz QWWULDZWXWLERD-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449285185 433733728 /nfs/dbraw/zinc/73/37/28/433733728.db2.gz QWWULDZWXWLERD-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000351848202 433754671 /nfs/dbraw/zinc/75/46/71/433754671.db2.gz CNIDWIUJWRDARX-BBRMVZONSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000351848202 433754681 /nfs/dbraw/zinc/75/46/81/433754681.db2.gz CNIDWIUJWRDARX-BBRMVZONSA-N 2 2 314.433 3.029 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853165 433755124 /nfs/dbraw/zinc/75/51/24/433755124.db2.gz NZIGJIWBVSWDAU-ZIAGYGMSSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853165 433755136 /nfs/dbraw/zinc/75/51/36/433755136.db2.gz NZIGJIWBVSWDAU-ZIAGYGMSSA-N 2 2 316.474 3.364 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCCNc1[nH]c2ccccc2[nH+]1 ZINC000301859478 433760524 /nfs/dbraw/zinc/76/05/24/433760524.db2.gz FCHWUUYGXXGXGE-UHFFFAOYSA-N 2 2 305.385 3.494 20 0 DGADLP CC(C)c1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301857280 433761466 /nfs/dbraw/zinc/76/14/66/433761466.db2.gz IZXBLQCGYSXRFO-GOEBONIOSA-N 2 2 304.482 3.500 20 0 DGADLP CC(C)c1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301857280 433761480 /nfs/dbraw/zinc/76/14/80/433761480.db2.gz IZXBLQCGYSXRFO-GOEBONIOSA-N 2 2 304.482 3.500 20 0 DGADLP C[C@H]1CCC[N@H+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301858812 433762609 /nfs/dbraw/zinc/76/26/09/433762609.db2.gz DUGWSBUYSQLZLF-AWEZNQCLSA-N 2 2 313.449 3.136 20 0 DGADLP C[C@H]1CCC[N@@H+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301858812 433762618 /nfs/dbraw/zinc/76/26/18/433762618.db2.gz DUGWSBUYSQLZLF-AWEZNQCLSA-N 2 2 313.449 3.136 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721434 433764678 /nfs/dbraw/zinc/76/46/78/433764678.db2.gz JWMGWGWEILAAQI-WBVHZDCISA-N 2 2 304.478 3.209 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721434 433764687 /nfs/dbraw/zinc/76/46/87/433764687.db2.gz JWMGWGWEILAAQI-WBVHZDCISA-N 2 2 304.478 3.209 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293521343 433769622 /nfs/dbraw/zinc/76/96/22/433769622.db2.gz UHWFOGMBNYUFDL-IPELMVKDSA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293521343 433769634 /nfs/dbraw/zinc/76/96/34/433769634.db2.gz UHWFOGMBNYUFDL-IPELMVKDSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]([N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1)C1(C)CC1 ZINC000351886121 433770549 /nfs/dbraw/zinc/77/05/49/433770549.db2.gz BTTUNYUIGVNEPT-GOSISDBHSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]([N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1)C1(C)CC1 ZINC000351886121 433770562 /nfs/dbraw/zinc/77/05/62/433770562.db2.gz BTTUNYUIGVNEPT-GOSISDBHSA-N 2 2 315.505 3.319 20 0 DGADLP c1cc(C[NH2+]CCCCNc2cccc[nH+]2)n(C2CCCC2)n1 ZINC000449122467 433723056 /nfs/dbraw/zinc/72/30/56/433723056.db2.gz LJEUXPFTVAZLNV-UHFFFAOYSA-N 2 2 313.449 3.375 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849095 433823595 /nfs/dbraw/zinc/82/35/95/433823595.db2.gz HJSAAZZXAQDZJS-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849095 433823599 /nfs/dbraw/zinc/82/35/99/433823599.db2.gz HJSAAZZXAQDZJS-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849095 433823607 /nfs/dbraw/zinc/82/36/07/433823607.db2.gz HJSAAZZXAQDZJS-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849095 433823615 /nfs/dbraw/zinc/82/36/15/433823615.db2.gz HJSAAZZXAQDZJS-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H](C[NH3+])C1 ZINC000414769927 433823775 /nfs/dbraw/zinc/82/37/75/433823775.db2.gz OFZMFPWSZSNVAI-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H](C[NH3+])C1 ZINC000414769927 433823787 /nfs/dbraw/zinc/82/37/87/433823787.db2.gz OFZMFPWSZSNVAI-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414659818 433773066 /nfs/dbraw/zinc/77/30/66/433773066.db2.gz UDYACYRSCUQSTQ-LJQANCHMSA-N 2 2 310.441 3.231 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000414659818 433773075 /nfs/dbraw/zinc/77/30/75/433773075.db2.gz UDYACYRSCUQSTQ-LJQANCHMSA-N 2 2 310.441 3.231 20 0 DGADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@H](C)C[NH3+])cc1OCC ZINC000414660963 433773228 /nfs/dbraw/zinc/77/32/28/433773228.db2.gz PFPHXJLMRDJRQB-GFCCVEGCSA-N 2 2 314.857 3.307 20 0 DGADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H](C)C[NH3+])cc1OCC ZINC000414660963 433773238 /nfs/dbraw/zinc/77/32/38/433773238.db2.gz PFPHXJLMRDJRQB-GFCCVEGCSA-N 2 2 314.857 3.307 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000293535698 433773940 /nfs/dbraw/zinc/77/39/40/433773940.db2.gz CHUOLTXBPWICCM-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000293535698 433773949 /nfs/dbraw/zinc/77/39/49/433773949.db2.gz CHUOLTXBPWICCM-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000293535698 433773959 /nfs/dbraw/zinc/77/39/59/433773959.db2.gz CHUOLTXBPWICCM-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000293535698 433773964 /nfs/dbraw/zinc/77/39/64/433773964.db2.gz CHUOLTXBPWICCM-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000343111333 433780808 /nfs/dbraw/zinc/78/08/08/433780808.db2.gz VQCMFPRPMFGFRI-IYOUNJFTSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000343111333 433780815 /nfs/dbraw/zinc/78/08/15/433780815.db2.gz VQCMFPRPMFGFRI-IYOUNJFTSA-N 2 2 322.880 3.416 20 0 DGADLP Cc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)c(C)c(C)[nH+]1 ZINC000301897304 433784008 /nfs/dbraw/zinc/78/40/08/433784008.db2.gz VNIKOMZYNXPCSI-UHFFFAOYSA-N 2 2 302.397 3.215 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421864020 433784467 /nfs/dbraw/zinc/78/44/67/433784467.db2.gz ZDFARKRMQUMSBM-QGZVFWFLSA-N 2 2 301.478 3.041 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421864020 433784478 /nfs/dbraw/zinc/78/44/78/433784478.db2.gz ZDFARKRMQUMSBM-QGZVFWFLSA-N 2 2 301.478 3.041 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673774 433784899 /nfs/dbraw/zinc/78/48/99/433784899.db2.gz CRDKVOGSSUSZBR-PBHICJAKSA-N 2 2 306.450 3.214 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673774 433784905 /nfs/dbraw/zinc/78/49/05/433784905.db2.gz CRDKVOGSSUSZBR-PBHICJAKSA-N 2 2 306.450 3.214 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1-c1ccccc1 ZINC000293572187 433785948 /nfs/dbraw/zinc/78/59/48/433785948.db2.gz HBQXAXCJCJUZIQ-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)n1-c1ccccc1 ZINC000293572187 433785955 /nfs/dbraw/zinc/78/59/55/433785955.db2.gz HBQXAXCJCJUZIQ-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1-c1ccccc1 ZINC000293572187 433785965 /nfs/dbraw/zinc/78/59/65/433785965.db2.gz HBQXAXCJCJUZIQ-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1-c1ccccc1 ZINC000293572187 433785975 /nfs/dbraw/zinc/78/59/75/433785975.db2.gz HBQXAXCJCJUZIQ-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1-c1ccccc1 ZINC000293572187 433785985 /nfs/dbraw/zinc/78/59/85/433785985.db2.gz HBQXAXCJCJUZIQ-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)n1-c1ccccc1 ZINC000293572187 433785995 /nfs/dbraw/zinc/78/59/95/433785995.db2.gz HBQXAXCJCJUZIQ-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339804971 433791853 /nfs/dbraw/zinc/79/18/53/433791853.db2.gz URTOTDWMGSZTIN-UHFFFAOYSA-N 2 2 321.428 3.173 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339804971 433791864 /nfs/dbraw/zinc/79/18/64/433791864.db2.gz URTOTDWMGSZTIN-UHFFFAOYSA-N 2 2 321.428 3.173 20 0 DGADLP Cc1ncccc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449784914 433800086 /nfs/dbraw/zinc/80/00/86/433800086.db2.gz CTMSGXOZAFTLDI-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1ncccc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449784914 433800092 /nfs/dbraw/zinc/80/00/92/433800092.db2.gz CTMSGXOZAFTLDI-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCCNc2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431045137 433801434 /nfs/dbraw/zinc/80/14/34/433801434.db2.gz NAYXXNQWTGULFG-CQSZACIVSA-N 2 2 318.440 3.058 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCCNc2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431045137 433801442 /nfs/dbraw/zinc/80/14/42/433801442.db2.gz NAYXXNQWTGULFG-CQSZACIVSA-N 2 2 318.440 3.058 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623163 433807051 /nfs/dbraw/zinc/80/70/51/433807051.db2.gz HEVKLRSGOGWMNV-RCCFBDPRSA-N 2 2 316.445 3.141 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623163 433807058 /nfs/dbraw/zinc/80/70/58/433807058.db2.gz HEVKLRSGOGWMNV-RCCFBDPRSA-N 2 2 316.445 3.141 20 0 DGADLP Cc1ccn2c(CN(C)CC[NH+](C(C)C)C(C)C)c[nH+]c2c1 ZINC000357005774 433815271 /nfs/dbraw/zinc/81/52/71/433815271.db2.gz AGKMAWILGXPNKU-UHFFFAOYSA-N 2 2 302.466 3.193 20 0 DGADLP Cc1cccn2c(CN(C)CC[NH+](C(C)C)C(C)C)c[nH+]c12 ZINC000357007827 433817026 /nfs/dbraw/zinc/81/70/26/433817026.db2.gz GNUGYOMREXZHJQ-UHFFFAOYSA-N 2 2 302.466 3.193 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000351959445 433818868 /nfs/dbraw/zinc/81/88/68/433818868.db2.gz YMSKBWHWXGIDHN-AWEZNQCLSA-N 2 2 304.438 3.084 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000344621163 433876249 /nfs/dbraw/zinc/87/62/49/433876249.db2.gz YBUCVKBDFLVLMG-DKKFBQAASA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000344621163 433876258 /nfs/dbraw/zinc/87/62/58/433876258.db2.gz YBUCVKBDFLVLMG-DKKFBQAASA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnn(C(C)C)c2)cc1 ZINC000414845013 433878536 /nfs/dbraw/zinc/87/85/36/433878536.db2.gz LKNLFTRPBQUNOY-SFHVURJKSA-N 2 2 300.450 3.377 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1O ZINC000414842747 433876997 /nfs/dbraw/zinc/87/69/97/433876997.db2.gz ZBVCDUPPDJZGKV-YOEHRIQHSA-N 2 2 314.429 3.012 20 0 DGADLP C[N@H+](CCc1cscn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000284070000 433827868 /nfs/dbraw/zinc/82/78/68/433827868.db2.gz QTNSKPYDUMDOCK-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP C[N@@H+](CCc1cscn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000284070000 433827873 /nfs/dbraw/zinc/82/78/73/433827873.db2.gz QTNSKPYDUMDOCK-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)Nc1[nH+]cnc2[nH]ccc21)[NH+](C)C ZINC000343755566 433830216 /nfs/dbraw/zinc/83/02/16/433830216.db2.gz DSWAGQZCZMSNPT-CJNGLKHVSA-N 2 2 309.417 3.370 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414783088 433833246 /nfs/dbraw/zinc/83/32/46/433833246.db2.gz GBPLLIGYPRLLCS-DUVNUKRYSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414783088 433833255 /nfs/dbraw/zinc/83/32/55/433833255.db2.gz GBPLLIGYPRLLCS-DUVNUKRYSA-N 2 2 312.379 3.493 20 0 DGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)no1 ZINC000284135529 433842091 /nfs/dbraw/zinc/84/20/91/433842091.db2.gz OLVDAKYPTWDAHW-LBPRGKRZSA-N 2 2 314.364 3.467 20 0 DGADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414803294 433845877 /nfs/dbraw/zinc/84/58/77/433845877.db2.gz NNZNEMBCRHVMNM-YJBOKZPZSA-N 3 2 321.896 3.021 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)C[NH+](C)C ZINC000293734247 433846018 /nfs/dbraw/zinc/84/60/18/433846018.db2.gz QGOGKFBPRKMQGH-KBXCAEBGSA-N 2 2 301.409 3.097 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344069362 433847911 /nfs/dbraw/zinc/84/79/11/433847911.db2.gz BSEZVHNOMDHRDL-HKUYNNGSSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344069362 433847918 /nfs/dbraw/zinc/84/79/18/433847918.db2.gz BSEZVHNOMDHRDL-HKUYNNGSSA-N 2 2 320.452 3.150 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414810231 433851693 /nfs/dbraw/zinc/85/16/93/433851693.db2.gz HOXDYRVAGXKVTH-LBPRGKRZSA-N 2 2 322.346 3.374 20 0 DGADLP CCn1nc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011080 433857115 /nfs/dbraw/zinc/85/71/15/433857115.db2.gz OERYSNDBMUNDBI-JKSUJKDBSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011080 433857125 /nfs/dbraw/zinc/85/71/25/433857125.db2.gz OERYSNDBMUNDBI-JKSUJKDBSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011080 433857136 /nfs/dbraw/zinc/85/71/36/433857136.db2.gz OERYSNDBMUNDBI-JKSUJKDBSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011080 433857142 /nfs/dbraw/zinc/85/71/42/433857142.db2.gz OERYSNDBMUNDBI-JKSUJKDBSA-N 2 2 314.477 3.361 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000414814864 433860523 /nfs/dbraw/zinc/86/05/23/433860523.db2.gz OIVKKIHBZZVCQW-GFCCVEGCSA-N 2 2 303.219 3.195 20 0 DGADLP Fc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414826460 433862399 /nfs/dbraw/zinc/86/23/99/433862399.db2.gz IXGDKKZEYVEERU-GFCCVEGCSA-N 2 2 305.422 3.038 20 0 DGADLP CC1(C)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284230713 433865315 /nfs/dbraw/zinc/86/53/15/433865315.db2.gz VCXFCSWFVQRXGH-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284230713 433865320 /nfs/dbraw/zinc/86/53/20/433865320.db2.gz VCXFCSWFVQRXGH-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284230713 433865327 /nfs/dbraw/zinc/86/53/27/433865327.db2.gz VCXFCSWFVQRXGH-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284230713 433865334 /nfs/dbraw/zinc/86/53/34/433865334.db2.gz VCXFCSWFVQRXGH-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827866 433868296 /nfs/dbraw/zinc/86/82/96/433868296.db2.gz HYNUEMOHQCKJJJ-QGZVFWFLSA-N 2 2 300.450 3.045 20 0 DGADLP Clc1ccc(Br)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414831178 433869425 /nfs/dbraw/zinc/86/94/25/433869425.db2.gz PPXLVHVRQRYNHS-JTQLQIEISA-N 2 2 317.658 3.192 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000414876652 433899128 /nfs/dbraw/zinc/89/91/28/433899128.db2.gz DSDCLHRDXTZFKZ-MOPGFXCFSA-N 2 2 314.404 3.070 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000302899370 433903278 /nfs/dbraw/zinc/90/32/78/433903278.db2.gz QEDBELRIXDILFU-OAHLLOKOSA-N 2 2 314.477 3.348 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000293877147 433905324 /nfs/dbraw/zinc/90/53/24/433905324.db2.gz YMTRRRUXDTYVEF-VXGBXAGGSA-N 2 2 314.857 3.206 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000357229604 433918161 /nfs/dbraw/zinc/91/81/61/433918161.db2.gz IBXNGQQDQAKTAR-UHOSZYNNSA-N 2 2 309.457 3.478 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000357229604 433918171 /nfs/dbraw/zinc/91/81/71/433918171.db2.gz IBXNGQQDQAKTAR-UHOSZYNNSA-N 2 2 309.457 3.478 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414932330 433919522 /nfs/dbraw/zinc/91/95/22/433919522.db2.gz QVXCASQSFCHHCS-KXBFYZLASA-N 2 2 320.440 3.113 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@H]21 ZINC000303099607 433919746 /nfs/dbraw/zinc/91/97/46/433919746.db2.gz DSLRCIVILIVKTF-FCGDIQPGSA-N 2 2 314.473 3.054 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@H]21 ZINC000303099607 433919757 /nfs/dbraw/zinc/91/97/57/433919757.db2.gz DSLRCIVILIVKTF-FCGDIQPGSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414932258 433921679 /nfs/dbraw/zinc/92/16/79/433921679.db2.gz QVXCASQSFCHHCS-DNVCBOLYSA-N 2 2 320.440 3.113 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C[NH3+] ZINC000422640009 433932774 /nfs/dbraw/zinc/93/27/74/433932774.db2.gz UJTOVLQPNFSITR-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C[NH3+] ZINC000422640009 433932784 /nfs/dbraw/zinc/93/27/84/433932784.db2.gz UJTOVLQPNFSITR-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000414841190 433879346 /nfs/dbraw/zinc/87/93/46/433879346.db2.gz XZUVCTSCCDOQCB-RDTXWAMCSA-N 2 2 316.420 3.303 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1CCCCC1 ZINC000414853703 433883890 /nfs/dbraw/zinc/88/38/90/433883890.db2.gz STLJBEHBWKPBHH-GOSISDBHSA-N 2 2 316.424 3.009 20 0 DGADLP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414859110 433886438 /nfs/dbraw/zinc/88/64/38/433886438.db2.gz ANFLQOSYVNBPFJ-QGZVFWFLSA-N 2 2 314.404 3.246 20 0 DGADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000357163216 433890608 /nfs/dbraw/zinc/89/06/08/433890608.db2.gz RUYLREURJJGHLF-IBGZPJMESA-N 2 2 318.461 3.230 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284363283 433893483 /nfs/dbraw/zinc/89/34/83/433893483.db2.gz NEKTYKZFRKFROC-ZYSHUDEJSA-N 2 2 320.477 3.093 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c2ncccc12 ZINC000414960045 433941949 /nfs/dbraw/zinc/94/19/49/433941949.db2.gz TUSFKTIVUXMOHY-IBGZPJMESA-N 2 2 321.399 3.351 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)ccc1Oc1cccnc1 ZINC000414965723 433944664 /nfs/dbraw/zinc/94/46/64/433944664.db2.gz ZVUOMEMAZZHQLX-YJBOKZPZSA-N 2 2 311.429 3.412 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422718057 433946539 /nfs/dbraw/zinc/94/65/39/433946539.db2.gz WTKJLWKHNVJXCK-PXNSSMCTSA-N 3 2 315.505 3.293 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000285440074 433946762 /nfs/dbraw/zinc/94/67/62/433946762.db2.gz FPPBKBAZYZNLMO-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000285440074 433946768 /nfs/dbraw/zinc/94/67/68/433946768.db2.gz FPPBKBAZYZNLMO-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000285440074 433946775 /nfs/dbraw/zinc/94/67/75/433946775.db2.gz FPPBKBAZYZNLMO-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000285440074 433946782 /nfs/dbraw/zinc/94/67/82/433946782.db2.gz FPPBKBAZYZNLMO-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000422712269 433946813 /nfs/dbraw/zinc/94/68/13/433946813.db2.gz IDPSGWDPELNLDD-FSPWUOQZSA-N 2 2 306.425 3.024 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2c1 ZINC000422718165 433947509 /nfs/dbraw/zinc/94/75/09/433947509.db2.gz PFSYYPBBNATNSP-PKOBYXMFSA-N 2 2 320.440 3.226 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414975647 433949539 /nfs/dbraw/zinc/94/95/39/433949539.db2.gz OZWRQPASICQVGO-HNNXBMFYSA-N 2 2 301.459 3.288 20 0 DGADLP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422725693 433950608 /nfs/dbraw/zinc/95/06/08/433950608.db2.gz YODHSGTZDJESML-QAPCUYQASA-N 2 2 317.477 3.291 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000422727791 433955112 /nfs/dbraw/zinc/95/51/12/433955112.db2.gz HXPUJRWFVFIZOQ-CEXWTWQISA-N 2 2 313.420 3.163 20 0 DGADLP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1OC1CCCC1 ZINC000422727577 433956624 /nfs/dbraw/zinc/95/66/24/433956624.db2.gz HMFCSXTVHIKDGD-YOEHRIQHSA-N 2 2 318.461 3.104 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422734979 433959080 /nfs/dbraw/zinc/95/90/80/433959080.db2.gz VGTSVKHYEOMTJN-IOMROCGXSA-N 2 2 324.468 3.441 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1OC ZINC000422737354 433960440 /nfs/dbraw/zinc/96/04/40/433960440.db2.gz XLUVZKVRGOAPRJ-IRXDYDNUSA-N 2 2 312.413 3.328 20 0 DGADLP Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000285470521 433961360 /nfs/dbraw/zinc/96/13/60/433961360.db2.gz ATKBYEKWTKEDMI-KRWDZBQOSA-N 2 2 323.400 3.291 20 0 DGADLP Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000285470521 433961371 /nfs/dbraw/zinc/96/13/71/433961371.db2.gz ATKBYEKWTKEDMI-KRWDZBQOSA-N 2 2 323.400 3.291 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1OC ZINC000422737352 433961523 /nfs/dbraw/zinc/96/15/23/433961523.db2.gz XLUVZKVRGOAPRJ-DLBZAZTESA-N 2 2 312.413 3.328 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422745282 433965539 /nfs/dbraw/zinc/96/55/39/433965539.db2.gz LUCGFEMHSSWWLK-POAQFYNOSA-N 3 2 315.505 3.319 20 0 DGADLP COc1cccc2c(N3CC[C@H]([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000436429420 433968081 /nfs/dbraw/zinc/96/80/81/433968081.db2.gz DLAJYMAJVSAARS-HNNXBMFYSA-N 2 2 311.429 3.308 20 0 DGADLP Cc1nc(C)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)s1 ZINC000285498995 433970178 /nfs/dbraw/zinc/97/01/78/433970178.db2.gz CNFBEIZZIYYDGW-UHFFFAOYSA-N 2 2 307.463 3.307 20 0 DGADLP Cc1nc(C)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)s1 ZINC000285498995 433970186 /nfs/dbraw/zinc/97/01/86/433970186.db2.gz CNFBEIZZIYYDGW-UHFFFAOYSA-N 2 2 307.463 3.307 20 0 DGADLP Cc1nc(C)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)s1 ZINC000285498995 433970193 /nfs/dbraw/zinc/97/01/93/433970193.db2.gz CNFBEIZZIYYDGW-UHFFFAOYSA-N 2 2 307.463 3.307 20 0 DGADLP Cc1nc(C)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)s1 ZINC000285498995 433970199 /nfs/dbraw/zinc/97/01/99/433970199.db2.gz CNFBEIZZIYYDGW-UHFFFAOYSA-N 2 2 307.463 3.307 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191399 433972116 /nfs/dbraw/zinc/97/21/16/433972116.db2.gz OGIFORMUVVMSHR-MISYRCLQSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191399 433972121 /nfs/dbraw/zinc/97/21/21/433972121.db2.gz OGIFORMUVVMSHR-MISYRCLQSA-N 3 2 315.505 3.143 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000422746441 433974084 /nfs/dbraw/zinc/97/40/84/433974084.db2.gz NXAHCGSUFUXVOV-BRWVUGGUSA-N 2 2 309.885 3.192 20 0 DGADLP COc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1C ZINC000436489233 433977623 /nfs/dbraw/zinc/97/76/23/433977623.db2.gz YAZZTQNFYLUHRT-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(OCc2ccccn2)c1 ZINC000340197201 433979099 /nfs/dbraw/zinc/97/90/99/433979099.db2.gz TXGPYFMZOWZOAN-AWEZNQCLSA-N 2 2 308.385 3.235 20 0 DGADLP CC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCC[NH2+]1 ZINC000422758482 433979898 /nfs/dbraw/zinc/97/98/98/433979898.db2.gz DXRMRABXDFYKRG-OALUTQOASA-N 2 2 312.461 3.109 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1OCCC ZINC000422763286 433984241 /nfs/dbraw/zinc/98/42/41/433984241.db2.gz NCSQWRIFOPVDJM-HOCLYGCPSA-N 2 2 306.450 3.277 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422763374 433984712 /nfs/dbraw/zinc/98/47/12/433984712.db2.gz OXQMNMPHGDYVDB-CZUORRHYSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422766661 433984942 /nfs/dbraw/zinc/98/49/42/433984942.db2.gz MDEMWFMGMIGHNH-DNVCBOLYSA-N 2 2 312.461 3.109 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)COc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422764778 433985009 /nfs/dbraw/zinc/98/50/09/433985009.db2.gz QHNBZJWLSXKPJT-OUCADQQQSA-N 2 2 316.367 3.203 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000422761111 433985484 /nfs/dbraw/zinc/98/54/84/433985484.db2.gz MNUIKSGWIKYDTF-IJLUTSLNSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000422772357 433990917 /nfs/dbraw/zinc/99/09/17/433990917.db2.gz XAZHNXIXTKJMIJ-GVDBMIGSSA-N 3 2 303.494 3.365 20 0 DGADLP CCCOc1c(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cccc1OCC ZINC000414962490 433938197 /nfs/dbraw/zinc/93/81/97/433938197.db2.gz WQHHQYRUWBZZIH-HOCLYGCPSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422700323 433938038 /nfs/dbraw/zinc/93/80/38/433938038.db2.gz GMTGERDCAAMJMG-HOTGVXAUSA-N 3 2 314.477 3.396 20 0 DGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000362978217 433938849 /nfs/dbraw/zinc/93/88/49/433938849.db2.gz YDTBDESSVZIYOE-RDTXWAMCSA-N 2 2 301.434 3.331 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422704383 433939028 /nfs/dbraw/zinc/93/90/28/433939028.db2.gz PODLXYUBXUTUMA-KXBFYZLASA-N 3 2 322.456 3.044 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000303470254 433939180 /nfs/dbraw/zinc/93/91/80/433939180.db2.gz QJGICRWRWNCSFM-LJQANCHMSA-N 2 2 316.489 3.156 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000303470254 433939185 /nfs/dbraw/zinc/93/91/85/433939185.db2.gz QJGICRWRWNCSFM-LJQANCHMSA-N 2 2 316.489 3.156 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414961722 433939613 /nfs/dbraw/zinc/93/96/13/433939613.db2.gz VZFWVCRSADYVKN-YJBOKZPZSA-N 2 2 310.445 3.080 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000422704228 433941015 /nfs/dbraw/zinc/94/10/15/433941015.db2.gz KCYPWHVKDWJJPS-SUTQANCOSA-N 2 2 311.404 3.183 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422788856 434005465 /nfs/dbraw/zinc/00/54/65/434005465.db2.gz NSBFLHSCPFIQRO-XLIONFOSSA-N 3 2 315.505 3.293 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422788857 434006027 /nfs/dbraw/zinc/00/60/27/434006027.db2.gz NSBFLHSCPFIQRO-YLJYHZDGSA-N 3 2 315.505 3.293 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000422791791 434006545 /nfs/dbraw/zinc/00/65/45/434006545.db2.gz DFHMLGJCBXWPLG-FUHWJXTLSA-N 2 2 304.478 3.101 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422808798 434019246 /nfs/dbraw/zinc/01/92/46/434019246.db2.gz QWPIXGHLKUUSMM-CABCVRRESA-N 2 2 316.367 3.248 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422814533 434023381 /nfs/dbraw/zinc/02/33/81/434023381.db2.gz VIGJUIKYAFPGPB-BZSNNMDCSA-N 2 2 320.477 3.139 20 0 DGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000422814968 434023727 /nfs/dbraw/zinc/02/37/27/434023727.db2.gz WRFUUQXLSKIXBN-IXMYILBSSA-N 2 2 319.396 3.486 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000352285196 434026332 /nfs/dbraw/zinc/02/63/32/434026332.db2.gz FAXRTAUUSMZSIJ-ZACQAIPSSA-N 2 2 312.461 3.172 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)[N@H+](C)Cc1ccccc1 ZINC000422823601 434031156 /nfs/dbraw/zinc/03/11/56/434031156.db2.gz LWLDYSXYWPTQJN-CVEARBPZSA-N 3 2 312.461 3.055 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)[N@@H+](C)Cc1ccccc1 ZINC000422823601 434031160 /nfs/dbraw/zinc/03/11/60/434031160.db2.gz LWLDYSXYWPTQJN-CVEARBPZSA-N 3 2 312.461 3.055 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000422828698 434034301 /nfs/dbraw/zinc/03/43/01/434034301.db2.gz GJXWEKBBWBKRDQ-SOAGJPPSSA-N 3 2 317.521 3.047 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422838575 434042714 /nfs/dbraw/zinc/04/27/14/434042714.db2.gz XNTXAMWSDDNLDW-XUVXKRRUSA-N 3 2 317.521 3.189 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422779915 433993932 /nfs/dbraw/zinc/99/39/32/433993932.db2.gz CGXQXXCZJXIFAF-PMACEKPBSA-N 3 2 315.505 3.293 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422843594 434047265 /nfs/dbraw/zinc/04/72/65/434047265.db2.gz IVOWJAXPMRWFEZ-MSOLQXFVSA-N 2 2 311.429 3.494 20 0 DGADLP C[N@@H+]1CC[C@H](NCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340222437 433997302 /nfs/dbraw/zinc/99/73/02/433997302.db2.gz VWBPOMCALWFFSC-PKOBYXMFSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@H](NCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340222437 433997310 /nfs/dbraw/zinc/99/73/10/433997310.db2.gz VWBPOMCALWFFSC-PKOBYXMFSA-N 2 2 324.472 3.145 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCOCCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422786553 433998365 /nfs/dbraw/zinc/99/83/65/433998365.db2.gz SMBLDTBXNDTBIO-RBUKOAKNSA-N 2 2 320.477 3.141 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)[nH+]c1 ZINC000422786781 434001382 /nfs/dbraw/zinc/00/13/82/434001382.db2.gz QTSPXAQAXNLDIK-RBUKOAKNSA-N 3 2 322.456 3.093 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)nc1 ZINC000422786781 434001387 /nfs/dbraw/zinc/00/13/87/434001387.db2.gz QTSPXAQAXNLDIK-RBUKOAKNSA-N 2 2 322.456 3.093 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1C(F)(F)F ZINC000414434658 293888832 /nfs/dbraw/zinc/88/88/32/293888832.db2.gz QAOJIXLOSCOXAF-ZDUSSCGKSA-N 2 2 309.335 3.315 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422869192 434067567 /nfs/dbraw/zinc/06/75/67/434067567.db2.gz WWSLIRPTVOPJPT-GOEBONIOSA-N 2 2 306.450 3.104 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000422866160 434068461 /nfs/dbraw/zinc/06/84/61/434068461.db2.gz PYABIWATXOLKAQ-GXTWGEPZSA-N 2 2 316.367 3.024 20 0 DGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422872760 434073912 /nfs/dbraw/zinc/07/39/12/434073912.db2.gz INEZJLBRGJMVAV-SOLBZPMBSA-N 2 2 320.477 3.029 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422881905 434076642 /nfs/dbraw/zinc/07/66/42/434076642.db2.gz RDYMYRVNUDKVFU-QMTMVMCOSA-N 2 2 322.456 3.378 20 0 DGADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000423204663 293915310 /nfs/dbraw/zinc/91/53/10/293915310.db2.gz OIXCJMJGLQCONG-UMNHJUIQSA-N 2 2 303.233 3.101 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OCCC(C)C ZINC000422880338 434077965 /nfs/dbraw/zinc/07/79/65/434077965.db2.gz LSVLJWJSDXHFGF-RDJZCZTQSA-N 2 2 320.477 3.350 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882938 434079969 /nfs/dbraw/zinc/07/99/69/434079969.db2.gz PPTOKNPDUBRFJK-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882938 434079975 /nfs/dbraw/zinc/07/99/75/434079975.db2.gz PPTOKNPDUBRFJK-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422892325 434087243 /nfs/dbraw/zinc/08/72/43/434087243.db2.gz MTACCUIRZQKCFN-FCGDIQPGSA-N 3 2 307.526 3.007 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccco2)C[C@H]1c1ccccc1 ZINC000340362153 434087983 /nfs/dbraw/zinc/08/79/83/434087983.db2.gz NOGAOYZKKOEWNC-BZSNNMDCSA-N 2 2 314.429 3.128 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CCC[N@@H+]1Cc1ccccc1 ZINC000340363556 434088930 /nfs/dbraw/zinc/08/89/30/434088930.db2.gz GITGYTBMICUMFX-HKUYMTLNSA-N 2 2 314.473 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CCC[N@H+]1Cc1ccccc1 ZINC000340363556 434088937 /nfs/dbraw/zinc/08/89/37/434088937.db2.gz GITGYTBMICUMFX-HKUYMTLNSA-N 2 2 314.473 3.197 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422900225 434096787 /nfs/dbraw/zinc/09/67/87/434096787.db2.gz JCBRZSCYUFPPKP-GUYCJALGSA-N 2 2 315.392 3.243 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CCCC2)c1 ZINC000422905083 434097253 /nfs/dbraw/zinc/09/72/53/434097253.db2.gz HPUIOOOWXCXVEH-HKUYNNGSSA-N 2 2 316.489 3.163 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422899476 434098096 /nfs/dbraw/zinc/09/80/96/434098096.db2.gz OPYJAQHVSCCDHG-WOJBJXKFSA-N 3 2 315.505 3.209 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840450 434048730 /nfs/dbraw/zinc/04/87/30/434048730.db2.gz SYGXCIPQWXEEDU-XYJFISCASA-N 3 2 321.534 3.080 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840450 434048739 /nfs/dbraw/zinc/04/87/39/434048739.db2.gz SYGXCIPQWXEEDU-XYJFISCASA-N 3 2 321.534 3.080 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CC2(CCO)CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340305170 434052443 /nfs/dbraw/zinc/05/24/43/434052443.db2.gz JFHKTQFZYOOYQM-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CC2(CCO)CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340305170 434052447 /nfs/dbraw/zinc/05/24/47/434052447.db2.gz JFHKTQFZYOOYQM-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422854913 434054838 /nfs/dbraw/zinc/05/48/38/434054838.db2.gz URUZOJWEGPIMJH-KGLIPLIRSA-N 2 2 303.475 3.144 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852769 434058014 /nfs/dbraw/zinc/05/80/14/434058014.db2.gz BHHAEZAHFQKGBN-ABSDTBQOSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852769 434058027 /nfs/dbraw/zinc/05/80/27/434058027.db2.gz BHHAEZAHFQKGBN-ABSDTBQOSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1cccn2cc(-c3ccc(N[C@H](C)C4C[NH2+]C4)cc3)[nH+]c12 ZINC000422917604 434108474 /nfs/dbraw/zinc/10/84/74/434108474.db2.gz GOFLLMLMDOOBED-CQSZACIVSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCC[NH2+]1 ZINC000422926735 434113678 /nfs/dbraw/zinc/11/36/78/434113678.db2.gz DTLQSGZBAZANHR-IUODEOHRSA-N 2 2 324.852 3.122 20 0 DGADLP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000285966967 434120399 /nfs/dbraw/zinc/12/03/99/434120399.db2.gz GWPSWHGXWLZSGX-GFCCVEGCSA-N 2 2 322.474 3.202 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184156 434101263 /nfs/dbraw/zinc/10/12/63/434101263.db2.gz OGAIOFSZRIISFG-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184156 434101275 /nfs/dbraw/zinc/10/12/75/434101275.db2.gz OGAIOFSZRIISFG-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184156 434101282 /nfs/dbraw/zinc/10/12/82/434101282.db2.gz OGAIOFSZRIISFG-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184156 434101293 /nfs/dbraw/zinc/10/12/93/434101293.db2.gz OGAIOFSZRIISFG-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000340392735 434101776 /nfs/dbraw/zinc/10/17/76/434101776.db2.gz DQCAOFATJBHGMI-SJORKVTESA-N 2 2 313.445 3.471 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000340392735 434101781 /nfs/dbraw/zinc/10/17/81/434101781.db2.gz DQCAOFATJBHGMI-SJORKVTESA-N 2 2 313.445 3.471 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000502484276 294166804 /nfs/dbraw/zinc/16/68/04/294166804.db2.gz XLSCDFDNKWIYOD-YESZJQIVSA-N 2 2 306.498 3.280 20 0 DGADLP CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503107696 294185900 /nfs/dbraw/zinc/18/59/00/294185900.db2.gz GXHIJSHXTHDZQT-QYZOEREBSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503107696 294185903 /nfs/dbraw/zinc/18/59/03/294185903.db2.gz GXHIJSHXTHDZQT-QYZOEREBSA-N 2 2 306.494 3.023 20 0 DGADLP Cn1c[nH+]c(CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)c1 ZINC000313247123 434128141 /nfs/dbraw/zinc/12/81/41/434128141.db2.gz BMKBVXFGTYTHAK-UHFFFAOYSA-N 2 2 316.405 3.015 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC000507484701 294300668 /nfs/dbraw/zinc/30/06/68/294300668.db2.gz JYRRLXPUNRBEQO-LZQZEXGQSA-N 2 2 304.478 3.256 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000507489744 294301487 /nfs/dbraw/zinc/30/14/87/294301487.db2.gz YALVXVPHDNLPNM-YTQUADARSA-N 2 2 304.478 3.474 20 0 DGADLP CC[C@@H](C)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509020527 294337958 /nfs/dbraw/zinc/33/79/58/294337958.db2.gz FDYBNJACJWMTKN-MSOLQXFVSA-N 2 2 303.494 3.223 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000509181807 294342142 /nfs/dbraw/zinc/34/21/42/294342142.db2.gz SIKIMRGTPGMQRI-AZUAARDMSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000509181807 294342146 /nfs/dbraw/zinc/34/21/46/294342146.db2.gz SIKIMRGTPGMQRI-AZUAARDMSA-N 2 2 313.489 3.073 20 0 DGADLP C[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509293898 294346225 /nfs/dbraw/zinc/34/62/25/294346225.db2.gz KLVASDGQJVDKHE-IBGZPJMESA-N 2 2 315.505 3.321 20 0 DGADLP C[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509293898 294346226 /nfs/dbraw/zinc/34/62/26/294346226.db2.gz KLVASDGQJVDKHE-IBGZPJMESA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)c1 ZINC000422950471 434131284 /nfs/dbraw/zinc/13/12/84/434131284.db2.gz WAQUTIQSMZMQIN-WBAXXEDZSA-N 2 2 317.477 3.291 20 0 DGADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651429 294359263 /nfs/dbraw/zinc/35/92/63/294359263.db2.gz KNCHQPGOEKCGEY-MOPGFXCFSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@H]1C[C@@H](C)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651429 294359264 /nfs/dbraw/zinc/35/92/64/294359264.db2.gz KNCHQPGOEKCGEY-MOPGFXCFSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000509667517 294360766 /nfs/dbraw/zinc/36/07/66/294360766.db2.gz RVYBNCCHPDRLAF-LPHOPBHVSA-N 2 2 312.457 3.086 20 0 DGADLP CC1=C(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510781294 294392423 /nfs/dbraw/zinc/39/24/23/294392423.db2.gz OHIXTHILGWSYGZ-UHFFFAOYSA-N 2 2 313.489 3.241 20 0 DGADLP CC1=C(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510781294 294392425 /nfs/dbraw/zinc/39/24/25/294392425.db2.gz OHIXTHILGWSYGZ-UHFFFAOYSA-N 2 2 313.489 3.241 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)o2)cs1 ZINC000422950859 434133570 /nfs/dbraw/zinc/13/35/70/434133570.db2.gz WTBUZWVQPRRAGC-BXUZGUMPSA-N 2 2 305.447 3.332 20 0 DGADLP COc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1O ZINC000353444224 434136206 /nfs/dbraw/zinc/13/62/06/434136206.db2.gz DCKBHSBJLJXGRV-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP COc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1O ZINC000353444224 434136215 /nfs/dbraw/zinc/13/62/15/434136215.db2.gz DCKBHSBJLJXGRV-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346131615 434137745 /nfs/dbraw/zinc/13/77/45/434137745.db2.gz OWDWJJPIJOPROV-KRWDZBQOSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346131615 434137754 /nfs/dbraw/zinc/13/77/54/434137754.db2.gz OWDWJJPIJOPROV-KRWDZBQOSA-N 2 2 314.404 3.328 20 0 DGADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccn1 ZINC000422973802 434148947 /nfs/dbraw/zinc/14/89/47/434148947.db2.gz CUMUNURAXAWVHS-ZMSDIMECSA-N 2 2 305.466 3.125 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1c[nH+]ccc1N ZINC000422978612 434149847 /nfs/dbraw/zinc/14/98/47/434149847.db2.gz ZTSUBFKOTWVTTJ-CYBMUJFWSA-N 2 2 312.417 3.061 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CC[NH2+][C@H]3CC)cc2[nH+]1 ZINC000353461475 434150385 /nfs/dbraw/zinc/15/03/85/434150385.db2.gz RELGXDHTEWDOEO-KGLIPLIRSA-N 2 2 314.433 3.232 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccncc1F ZINC000340477382 434151859 /nfs/dbraw/zinc/15/18/59/434151859.db2.gz VJJBYRUGHIBFRW-LBPRGKRZSA-N 2 2 305.372 3.272 20 0 DGADLP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423013300 434165113 /nfs/dbraw/zinc/16/51/13/434165113.db2.gz FNMHXLHUGKMGSM-BLQKSXIESA-N 2 2 312.816 3.039 20 0 DGADLP CCCCCn1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)n1 ZINC000423032328 434175934 /nfs/dbraw/zinc/17/59/34/434175934.db2.gz YHDHWFMSKPXTJX-AWEZNQCLSA-N 2 2 301.438 3.040 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)c1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000340518957 434181448 /nfs/dbraw/zinc/18/14/48/434181448.db2.gz KHYOWFSHDLZYLB-BEFAXECRSA-N 2 2 312.461 3.143 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)c1cn[nH]c1)[N@H+]1CCc2ccccc2C1 ZINC000340518957 434181458 /nfs/dbraw/zinc/18/14/58/434181458.db2.gz KHYOWFSHDLZYLB-BEFAXECRSA-N 2 2 312.461 3.143 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000353550894 434220640 /nfs/dbraw/zinc/22/06/40/434220640.db2.gz JGVYTAOTNXMGRW-HZPDHXFCSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000353550894 434220653 /nfs/dbraw/zinc/22/06/53/434220653.db2.gz JGVYTAOTNXMGRW-HZPDHXFCSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295096027 434196887 /nfs/dbraw/zinc/19/68/87/434196887.db2.gz SAKFBYCUZQKSAI-CQSZACIVSA-N 2 2 324.896 3.444 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061401 434198839 /nfs/dbraw/zinc/19/88/39/434198839.db2.gz KQMKDWSXXFXOSA-SLFFLAALSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061401 434198845 /nfs/dbraw/zinc/19/88/45/434198845.db2.gz KQMKDWSXXFXOSA-SLFFLAALSA-N 3 2 315.505 3.004 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000450458938 434200410 /nfs/dbraw/zinc/20/04/10/434200410.db2.gz ZHNGQBPRIWFZLE-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000450458938 434200417 /nfs/dbraw/zinc/20/04/17/434200417.db2.gz ZHNGQBPRIWFZLE-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000450458938 434200427 /nfs/dbraw/zinc/20/04/27/434200427.db2.gz ZHNGQBPRIWFZLE-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000450458938 434200431 /nfs/dbraw/zinc/20/04/31/434200431.db2.gz ZHNGQBPRIWFZLE-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423069521 434202630 /nfs/dbraw/zinc/20/26/30/434202630.db2.gz LURJBEVXHDSNLY-ROUUACIJSA-N 2 2 320.477 3.019 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423069522 434203675 /nfs/dbraw/zinc/20/36/75/434203675.db2.gz LURJBEVXHDSNLY-ZWKOTPCHSA-N 2 2 320.477 3.019 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(NCc2c[nH+]c3ccc(C)cn23)cn1 ZINC000378514000 434207028 /nfs/dbraw/zinc/20/70/28/434207028.db2.gz AUABSWLULVGYAN-UHFFFAOYSA-N 2 2 318.384 3.144 20 0 DGADLP c1cn(CC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)c[nH+]1 ZINC000353540635 434209618 /nfs/dbraw/zinc/20/96/18/434209618.db2.gz GXWSUTDYWFNIJL-LJQANCHMSA-N 2 2 318.380 3.404 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295124323 434216032 /nfs/dbraw/zinc/21/60/32/434216032.db2.gz XCJVQGPKNGSTMK-HNNXBMFYSA-N 2 2 324.896 3.445 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423100374 434219052 /nfs/dbraw/zinc/21/90/52/434219052.db2.gz BOGMHNPSWJYDMS-FHLIZLRMSA-N 2 2 324.896 3.436 20 0 DGADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423149587 434249287 /nfs/dbraw/zinc/24/92/87/434249287.db2.gz XVIMDCWCWSLRIF-CZUORRHYSA-N 3 2 318.852 3.133 20 0 DGADLP C[C@H]([NH2+]C/C=C\c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423158022 434252457 /nfs/dbraw/zinc/25/24/57/434252457.db2.gz NOFGNEWOXAMEJE-PHDHCRPCSA-N 2 2 309.251 3.192 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000381757183 434276341 /nfs/dbraw/zinc/27/63/41/434276341.db2.gz GXMYEUGQOAHTNX-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)CC(C)C ZINC000346645823 434259529 /nfs/dbraw/zinc/25/95/29/434259529.db2.gz BPWIXTVYHFTFRG-MRXNPFEDSA-N 2 2 304.482 3.831 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000381757183 434276347 /nfs/dbraw/zinc/27/63/47/434276347.db2.gz GXMYEUGQOAHTNX-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167218 434260762 /nfs/dbraw/zinc/26/07/62/434260762.db2.gz DVEQMZIDCZMJKM-RHSMWYFYSA-N 2 2 322.880 3.019 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000357960224 434266487 /nfs/dbraw/zinc/26/64/87/434266487.db2.gz CXYNPLIMHONQKA-AWEZNQCLSA-N 2 2 322.861 3.228 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000357960224 434266497 /nfs/dbraw/zinc/26/64/97/434266497.db2.gz CXYNPLIMHONQKA-AWEZNQCLSA-N 2 2 322.861 3.228 20 0 DGADLP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)s1 ZINC000423177096 434267875 /nfs/dbraw/zinc/26/78/75/434267875.db2.gz AFFYHFQGVRZTMF-GXFFZTMASA-N 2 2 315.280 3.303 20 0 DGADLP CCCn1c2ccccc2[nH+]c1NCc1c[nH+]c2cccc(C)n12 ZINC000347803841 434270590 /nfs/dbraw/zinc/27/05/90/434270590.db2.gz XOTUYCYBWLCFFJ-UHFFFAOYSA-N 2 2 319.412 4.015 20 0 DGADLP CN1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000340650499 434270938 /nfs/dbraw/zinc/27/09/38/434270938.db2.gz ICVIWVKBXACLHO-UHFFFAOYSA-N 2 2 318.424 3.324 20 0 DGADLP COc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353553474 434225341 /nfs/dbraw/zinc/22/53/41/434225341.db2.gz DRZRZVDRUZYHEL-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353553474 434225355 /nfs/dbraw/zinc/22/53/55/434225355.db2.gz DRZRZVDRUZYHEL-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000353553474 434225366 /nfs/dbraw/zinc/22/53/66/434225366.db2.gz DRZRZVDRUZYHEL-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000353553474 434225373 /nfs/dbraw/zinc/22/53/73/434225373.db2.gz DRZRZVDRUZYHEL-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+][C@H]2CCC[NH2+]C2)cc1OCC ZINC000423197272 434280617 /nfs/dbraw/zinc/28/06/17/434280617.db2.gz YRRZIBXFWFRFIA-JKSUJKDBSA-N 2 2 306.450 3.277 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000325827501 434281157 /nfs/dbraw/zinc/28/11/57/434281157.db2.gz OIZZVRNVNOLFNZ-JKSUJKDBSA-N 2 2 320.436 3.209 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000325827501 434281166 /nfs/dbraw/zinc/28/11/66/434281166.db2.gz OIZZVRNVNOLFNZ-JKSUJKDBSA-N 2 2 320.436 3.209 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009259 434282495 /nfs/dbraw/zinc/28/24/95/434282495.db2.gz VEJYWZSIBKBCOW-PMACEKPBSA-N 2 2 316.489 3.084 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009259 434282499 /nfs/dbraw/zinc/28/24/99/434282499.db2.gz VEJYWZSIBKBCOW-PMACEKPBSA-N 2 2 316.489 3.084 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000382831674 434283162 /nfs/dbraw/zinc/28/31/62/434283162.db2.gz IZOLEEPYMJALQI-QZTJIDSGSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000382831674 434283169 /nfs/dbraw/zinc/28/31/69/434283169.db2.gz IZOLEEPYMJALQI-QZTJIDSGSA-N 3 2 307.526 3.105 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358004159 434283534 /nfs/dbraw/zinc/28/35/34/434283534.db2.gz KRYCIDJEAHFWSO-PXNSSMCTSA-N 2 2 318.505 3.474 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358004159 434283544 /nfs/dbraw/zinc/28/35/44/434283544.db2.gz KRYCIDJEAHFWSO-PXNSSMCTSA-N 2 2 318.505 3.474 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)c1cnn(C)c1 ZINC000423232374 434298234 /nfs/dbraw/zinc/29/82/34/434298234.db2.gz CACDHGZXZDUXRE-ZWKOTPCHSA-N 2 2 300.450 3.284 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423232418 434300228 /nfs/dbraw/zinc/30/02/28/434300228.db2.gz CEQKJPONVQOPOS-CXAGYDPISA-N 2 2 323.440 3.267 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000423231590 434300697 /nfs/dbraw/zinc/30/06/97/434300697.db2.gz GYUULQBGJVPQCZ-HOCLYGCPSA-N 2 2 306.450 3.277 20 0 DGADLP c1csc(CCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000358033783 434300877 /nfs/dbraw/zinc/30/08/77/434300877.db2.gz GBAMYAKKIQXZNU-KRWDZBQOSA-N 2 2 315.486 3.330 20 0 DGADLP c1csc(CCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000358033783 434300884 /nfs/dbraw/zinc/30/08/84/434300884.db2.gz GBAMYAKKIQXZNU-KRWDZBQOSA-N 2 2 315.486 3.330 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000423237871 434302851 /nfs/dbraw/zinc/30/28/51/434302851.db2.gz QGNWLQFAMIOOAF-DOMZBBRYSA-N 2 2 318.852 3.237 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000423238776 434305683 /nfs/dbraw/zinc/30/56/83/434305683.db2.gz JITGHCYCCZIKMV-WMLDXEAASA-N 2 2 312.413 3.199 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000423237873 434306850 /nfs/dbraw/zinc/30/68/50/434306850.db2.gz QGNWLQFAMIOOAF-SWLSCSKDSA-N 2 2 318.852 3.237 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000423244472 434308090 /nfs/dbraw/zinc/30/80/90/434308090.db2.gz XQGZQECFKTUJDI-AAEUAGOBSA-N 2 2 302.340 3.030 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000386819598 434310951 /nfs/dbraw/zinc/31/09/51/434310951.db2.gz FYLCOJKJVKZWCB-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000386819598 434310960 /nfs/dbraw/zinc/31/09/60/434310960.db2.gz FYLCOJKJVKZWCB-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCOCC2)CCC1 ZINC000386931053 434318882 /nfs/dbraw/zinc/31/88/82/434318882.db2.gz TXHUECIVBHSRLL-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCOCC2)CCC1 ZINC000386931053 434318889 /nfs/dbraw/zinc/31/88/89/434318889.db2.gz TXHUECIVBHSRLL-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358085322 434320120 /nfs/dbraw/zinc/32/01/20/434320120.db2.gz UANQAKKRDCPRDQ-OXJNMPFZSA-N 2 2 310.441 3.045 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358085322 434320129 /nfs/dbraw/zinc/32/01/29/434320129.db2.gz UANQAKKRDCPRDQ-OXJNMPFZSA-N 2 2 310.441 3.045 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423266046 434322260 /nfs/dbraw/zinc/32/22/60/434322260.db2.gz RQUZEVHLKIZXPG-YPMHNXCESA-N 2 2 308.857 3.251 20 0 DGADLP CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323781 434329983 /nfs/dbraw/zinc/32/99/83/434329983.db2.gz YPPWGLQIHWAGNA-LZQZEXGQSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323781 434329993 /nfs/dbraw/zinc/32/99/93/434329993.db2.gz YPPWGLQIHWAGNA-LZQZEXGQSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)ccc1Oc1cccnc1 ZINC000353677710 434332368 /nfs/dbraw/zinc/33/23/68/434332368.db2.gz ZFGVVJCLGJFVEB-IEBWSBKVSA-N 2 2 323.440 3.366 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)ccc1Oc1cccnc1 ZINC000353677710 434332382 /nfs/dbraw/zinc/33/23/82/434332382.db2.gz ZFGVVJCLGJFVEB-IEBWSBKVSA-N 2 2 323.440 3.366 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)sc1Br ZINC000423191264 434277463 /nfs/dbraw/zinc/27/74/63/434277463.db2.gz OURQBKBDKSCBTB-ZJUUUORDSA-N 2 2 303.269 3.222 20 0 DGADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584020 434362072 /nfs/dbraw/zinc/36/20/72/434362072.db2.gz QUQHVFBHZGEPLO-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584020 434362080 /nfs/dbraw/zinc/36/20/80/434362080.db2.gz QUQHVFBHZGEPLO-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358169549 434362108 /nfs/dbraw/zinc/36/21/08/434362108.db2.gz PNHBGUNCVIIBPY-HUUCEWRRSA-N 2 2 308.491 3.170 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)CCC2 ZINC000358169563 434362267 /nfs/dbraw/zinc/36/22/67/434362267.db2.gz PPYSSMCYEGCSRZ-LPHOPBHVSA-N 2 2 302.462 3.073 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390597350 434363512 /nfs/dbraw/zinc/36/35/12/434363512.db2.gz XFDGKSGTEXFELI-IRXDYDNUSA-N 2 2 312.457 3.433 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390597350 434363520 /nfs/dbraw/zinc/36/35/20/434363520.db2.gz XFDGKSGTEXFELI-IRXDYDNUSA-N 2 2 312.457 3.433 20 0 DGADLP C[C@@]1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CCC[NH2+]C1 ZINC000423330363 434364204 /nfs/dbraw/zinc/36/42/04/434364204.db2.gz FVCKDNBBOXRCAT-RTBURBONSA-N 2 2 313.420 3.289 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC000366230190 434365653 /nfs/dbraw/zinc/36/56/53/434365653.db2.gz CAYBSUFPCQGNKM-QEJZJMRPSA-N 2 2 324.465 3.061 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423326281 434366048 /nfs/dbraw/zinc/36/60/48/434366048.db2.gz MMYXQPMHFRTBHR-JMCQJSRRSA-N 2 2 303.631 3.027 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000287459604 434366042 /nfs/dbraw/zinc/36/60/42/434366042.db2.gz VQVICLTYBUUYSI-AYOQOUSVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000287459604 434366050 /nfs/dbraw/zinc/36/60/50/434366050.db2.gz VQVICLTYBUUYSI-AYOQOUSVSA-N 2 2 324.472 3.050 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000390627167 434367775 /nfs/dbraw/zinc/36/77/75/434367775.db2.gz PSHLUVJLRVHOFE-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000390627167 434367784 /nfs/dbraw/zinc/36/77/84/434367784.db2.gz PSHLUVJLRVHOFE-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000287482155 434370260 /nfs/dbraw/zinc/37/02/60/434370260.db2.gz KETVKIVZLNFVGA-AWEZNQCLSA-N 2 2 304.438 3.084 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348522709 434371712 /nfs/dbraw/zinc/37/17/12/434371712.db2.gz ZDSBVJFKHVNCRM-HOTGVXAUSA-N 2 2 321.371 3.431 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCn1cc[nH+]c1 ZINC000287494493 434373098 /nfs/dbraw/zinc/37/30/98/434373098.db2.gz SXPYZPWTZSCVTE-CYBMUJFWSA-N 2 2 311.351 3.465 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCn1cc[nH+]c1 ZINC000287494493 434373105 /nfs/dbraw/zinc/37/31/05/434373105.db2.gz SXPYZPWTZSCVTE-CYBMUJFWSA-N 2 2 311.351 3.465 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+](C)C)CC2)c(Cl)c1 ZINC000417377130 434373057 /nfs/dbraw/zinc/37/30/57/434373057.db2.gz FNKUCSLXLHRWGK-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCn1cc[nH+]c1 ZINC000287494497 434373857 /nfs/dbraw/zinc/37/38/57/434373857.db2.gz SXPYZPWTZSCVTE-ZDUSSCGKSA-N 2 2 311.351 3.465 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCn1cc[nH+]c1 ZINC000287494497 434373863 /nfs/dbraw/zinc/37/38/63/434373863.db2.gz SXPYZPWTZSCVTE-ZDUSSCGKSA-N 2 2 311.351 3.465 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000450734840 434373820 /nfs/dbraw/zinc/37/38/20/434373820.db2.gz DJDDHNWLWIGENO-BQFCYCMXSA-N 2 2 302.462 3.404 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000450734840 434373825 /nfs/dbraw/zinc/37/38/25/434373825.db2.gz DJDDHNWLWIGENO-BQFCYCMXSA-N 2 2 302.462 3.404 20 0 DGADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000423362446 434379086 /nfs/dbraw/zinc/37/90/86/434379086.db2.gz HTWQCPBIYGPPSN-INIZCTEOSA-N 2 2 312.417 3.313 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000287508100 434379766 /nfs/dbraw/zinc/37/97/66/434379766.db2.gz LYCATDXTDFCCRQ-UHFFFAOYSA-N 2 2 316.449 3.227 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000423370548 434386620 /nfs/dbraw/zinc/38/66/20/434386620.db2.gz PPSCVUITMGAHJL-WBHUJUFNSA-N 2 2 317.383 3.156 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H](C)[NH3+] ZINC000423377661 434388982 /nfs/dbraw/zinc/38/89/82/434388982.db2.gz VZHUOQZMNQEHHZ-MEDUHNTESA-N 2 2 314.433 3.388 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744747 434390391 /nfs/dbraw/zinc/39/03/91/434390391.db2.gz HETAPPKKLFWNCB-SJLPKXTDSA-N 2 2 320.477 3.016 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744747 434390403 /nfs/dbraw/zinc/39/04/03/434390403.db2.gz HETAPPKKLFWNCB-SJLPKXTDSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744747 434390412 /nfs/dbraw/zinc/39/04/12/434390412.db2.gz HETAPPKKLFWNCB-SJLPKXTDSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744747 434390422 /nfs/dbraw/zinc/39/04/22/434390422.db2.gz HETAPPKKLFWNCB-SJLPKXTDSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cnn1-c1cccc(Cl)c1 ZINC000423278927 434335104 /nfs/dbraw/zinc/33/51/04/434335104.db2.gz RLIAAKINAANCGI-PXAZEXFGSA-N 2 2 320.868 3.468 20 0 DGADLP [NH3+]C1CCC([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000437772867 434335264 /nfs/dbraw/zinc/33/52/64/434335264.db2.gz IKWNZBKHONAVQY-UHFFFAOYSA-N 3 2 321.896 3.164 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(SCCOC)cc2)C1 ZINC000358119931 434335634 /nfs/dbraw/zinc/33/56/34/434335634.db2.gz CLNGETPJOVLJOK-RLFYNMQTSA-N 2 2 322.518 3.416 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(SCCOC)cc2)C1 ZINC000358119931 434335652 /nfs/dbraw/zinc/33/56/52/434335652.db2.gz CLNGETPJOVLJOK-RLFYNMQTSA-N 2 2 322.518 3.416 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC(C)(C)[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423282951 434337430 /nfs/dbraw/zinc/33/74/30/434337430.db2.gz DNJXWWVDBLKOSK-LLVKDONJSA-N 2 2 306.841 3.222 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC(F)F)cc1OC(F)F ZINC000423281388 434338322 /nfs/dbraw/zinc/33/83/22/434338322.db2.gz BFTITHJVHBGUFM-MRVPVSSYSA-N 2 2 324.318 3.277 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423281601 434340156 /nfs/dbraw/zinc/34/01/56/434340156.db2.gz VEVCLWBKSSOGSI-ZANVPECISA-N 2 2 303.219 3.222 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000287345357 434341397 /nfs/dbraw/zinc/34/13/97/434341397.db2.gz OWBSSSQLCYSXEE-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000287345357 434341411 /nfs/dbraw/zinc/34/14/11/434341411.db2.gz OWBSSSQLCYSXEE-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423288781 434343960 /nfs/dbraw/zinc/34/39/60/434343960.db2.gz UZHLUKOPXMQZHO-FUHWJXTLSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288781 434343963 /nfs/dbraw/zinc/34/39/63/434343963.db2.gz UZHLUKOPXMQZHO-FUHWJXTLSA-N 3 2 303.494 3.004 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000389208465 434348034 /nfs/dbraw/zinc/34/80/34/434348034.db2.gz BJRWXAHLTJGENE-XHDPSFHLSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000389208465 434348046 /nfs/dbraw/zinc/34/80/46/434348046.db2.gz BJRWXAHLTJGENE-XHDPSFHLSA-N 2 2 309.251 3.120 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423303127 434350839 /nfs/dbraw/zinc/35/08/39/434350839.db2.gz LAQWWOJQYKCLEY-QGZVFWFLSA-N 2 2 304.796 3.378 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423314424 434356138 /nfs/dbraw/zinc/35/61/38/434356138.db2.gz HCTRHGFQHHYGNH-DIFFPNOSSA-N 2 2 318.852 3.222 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000390361423 434356466 /nfs/dbraw/zinc/35/64/66/434356466.db2.gz MFPJTBZWPVZQGN-INIZCTEOSA-N 2 2 314.477 3.266 20 0 DGADLP Fc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2cnc3ccccc3c2)cc1 ZINC000423304514 434356455 /nfs/dbraw/zinc/35/64/55/434356455.db2.gz OGPLTFPDKPCZFB-FQEVSTJZSA-N 2 2 321.399 3.272 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000390361423 434356475 /nfs/dbraw/zinc/35/64/75/434356475.db2.gz MFPJTBZWPVZQGN-INIZCTEOSA-N 2 2 314.477 3.266 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423316816 434358129 /nfs/dbraw/zinc/35/81/29/434358129.db2.gz YDQCQTAIFVLATQ-MRXNPFEDSA-N 2 2 314.477 3.448 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423318507 434358777 /nfs/dbraw/zinc/35/87/77/434358777.db2.gz BVBNDMJVBFUBOP-OAHLLOKOSA-N 2 2 304.459 3.104 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000423319008 434359915 /nfs/dbraw/zinc/35/99/15/434359915.db2.gz CARBXDFAXJUNMK-HNNXBMFYSA-N 2 2 318.383 3.228 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+]CC1Cc2ccccc2C1)Cc1ccccc1 ZINC000519570050 294774997 /nfs/dbraw/zinc/77/49/97/294774997.db2.gz ABXIGZJIPOIPIM-OAQYLSRUSA-N 2 2 308.469 3.164 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Cc1ccccc1 ZINC000450763442 434395177 /nfs/dbraw/zinc/39/51/77/434395177.db2.gz PDMSBPGDPKBZIV-MOPGFXCFSA-N 2 2 312.461 3.088 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Cc1ccccc1 ZINC000450763442 434395186 /nfs/dbraw/zinc/39/51/86/434395186.db2.gz PDMSBPGDPKBZIV-MOPGFXCFSA-N 2 2 312.461 3.088 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749207 434396323 /nfs/dbraw/zinc/39/63/23/434396323.db2.gz UYYKIKUESKTTNO-HIFRSBDPSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749207 434396329 /nfs/dbraw/zinc/39/63/29/434396329.db2.gz UYYKIKUESKTTNO-HIFRSBDPSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749207 434396336 /nfs/dbraw/zinc/39/63/36/434396336.db2.gz UYYKIKUESKTTNO-HIFRSBDPSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749207 434396344 /nfs/dbraw/zinc/39/63/44/434396344.db2.gz UYYKIKUESKTTNO-HIFRSBDPSA-N 2 2 320.868 3.292 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000423387120 434397052 /nfs/dbraw/zinc/39/70/52/434397052.db2.gz HNIBMGDUZPCUAZ-LRDDRELGSA-N 2 2 319.246 3.475 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)no1 ZINC000519640008 294781982 /nfs/dbraw/zinc/78/19/82/294781982.db2.gz NTYXKUOJJGPIRJ-JLJPHGGASA-N 2 2 317.408 3.166 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866980 434447841 /nfs/dbraw/zinc/44/78/41/434447841.db2.gz GOAMCNWPBMVVMM-MJGOQNOKSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866980 434447852 /nfs/dbraw/zinc/44/78/52/434447852.db2.gz GOAMCNWPBMVVMM-MJGOQNOKSA-N 2 2 324.509 3.161 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423397741 434403437 /nfs/dbraw/zinc/40/34/37/434403437.db2.gz UXWBNVFGYZGJFY-SUMWQHHRSA-N 2 2 306.450 3.133 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450866980 434447859 /nfs/dbraw/zinc/44/78/59/434447859.db2.gz GOAMCNWPBMVVMM-MJGOQNOKSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450866980 434447868 /nfs/dbraw/zinc/44/78/68/434447868.db2.gz GOAMCNWPBMVVMM-MJGOQNOKSA-N 2 2 324.509 3.161 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000394736752 434406616 /nfs/dbraw/zinc/40/66/16/434406616.db2.gz WTGBCQJEVKPRRN-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394736752 434406624 /nfs/dbraw/zinc/40/66/24/434406624.db2.gz WTGBCQJEVKPRRN-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423404656 434406958 /nfs/dbraw/zinc/40/69/58/434406958.db2.gz ZZANOUWRPWQEBJ-YJBOKZPZSA-N 2 2 318.461 3.059 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340881701 434409018 /nfs/dbraw/zinc/40/90/18/434409018.db2.gz KZZPNVRGGANTGL-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340881701 434409026 /nfs/dbraw/zinc/40/90/26/434409026.db2.gz KZZPNVRGGANTGL-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107526 434409489 /nfs/dbraw/zinc/40/94/89/434409489.db2.gz IORZUHRROKKQSB-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107526 434409501 /nfs/dbraw/zinc/40/95/01/434409501.db2.gz IORZUHRROKKQSB-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107526 434409510 /nfs/dbraw/zinc/40/95/10/434409510.db2.gz IORZUHRROKKQSB-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438107526 434409522 /nfs/dbraw/zinc/40/95/22/434409522.db2.gz IORZUHRROKKQSB-CQSZACIVSA-N 2 2 318.490 3.302 20 0 DGADLP COC[C@]1(C[NH2+]C2c3ccccc3-c3ccccc32)CCC[NH2+]1 ZINC000423412068 434409920 /nfs/dbraw/zinc/40/99/20/434409920.db2.gz GZSLABQSNRJQCO-HXUWFJFHSA-N 2 2 308.425 3.115 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423413825 434411337 /nfs/dbraw/zinc/41/13/37/434411337.db2.gz BBGPPPIAZYHWOI-GSEOLPGOSA-N 2 2 314.473 3.058 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329443859 434412537 /nfs/dbraw/zinc/41/25/37/434412537.db2.gz CBFZJIRSWWYUTC-OAGGEKHMSA-N 2 2 310.445 3.286 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329443859 434412547 /nfs/dbraw/zinc/41/25/47/434412547.db2.gz CBFZJIRSWWYUTC-OAGGEKHMSA-N 2 2 310.445 3.286 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000423418797 434414138 /nfs/dbraw/zinc/41/41/38/434414138.db2.gz IEVARMOEUKGFMR-XHDPSFHLSA-N 2 2 317.260 3.413 20 0 DGADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000438117803 434415187 /nfs/dbraw/zinc/41/51/87/434415187.db2.gz MAKGCBCGGJTKNO-UYAOXDASSA-N 2 2 324.472 3.038 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CCC[NH2+]1 ZINC000423416682 434415731 /nfs/dbraw/zinc/41/57/31/434415731.db2.gz FYARCFGQWSDNSC-LPHOPBHVSA-N 2 2 320.477 3.141 20 0 DGADLP c1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc3ccccc3n2)cc1 ZINC000423429211 434420583 /nfs/dbraw/zinc/42/05/83/434420583.db2.gz KAJAGWSYQCMDRH-OVQGTLEDSA-N 2 2 315.420 3.132 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CCC[NH2+]1 ZINC000423442513 434422821 /nfs/dbraw/zinc/42/28/21/434422821.db2.gz WRWXZDLHNZIOAQ-XHDPSFHLSA-N 2 2 317.260 3.413 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423456821 434434255 /nfs/dbraw/zinc/43/42/55/434434255.db2.gz DUGNZSUOLHUTQD-ZYHUDNBSSA-N 2 2 315.280 3.313 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423465725 434434866 /nfs/dbraw/zinc/43/48/66/434434866.db2.gz NASSKIJDRFCVEI-SMDDNHRTSA-N 2 2 315.230 3.366 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000423465722 434437412 /nfs/dbraw/zinc/43/74/12/434437412.db2.gz NASSKIJDRFCVEI-BXUZGUMPSA-N 2 2 315.230 3.366 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423496491 434461795 /nfs/dbraw/zinc/46/17/95/434461795.db2.gz FAGLIUZFGAPUCR-FFZOFVMBSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496491 434461804 /nfs/dbraw/zinc/46/18/04/434461804.db2.gz FAGLIUZFGAPUCR-FFZOFVMBSA-N 3 2 315.505 3.004 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(OC)c1 ZINC000423506568 434463415 /nfs/dbraw/zinc/46/34/15/434463415.db2.gz IAOLAVYVGZVLCP-SLFFLAALSA-N 2 2 310.441 3.492 20 0 DGADLP CCSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000360001694 434470933 /nfs/dbraw/zinc/47/09/33/434470933.db2.gz WHWBOVWNQGDIDV-WBVHZDCISA-N 2 2 307.507 3.025 20 0 DGADLP CCSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000360001694 434470945 /nfs/dbraw/zinc/47/09/45/434470945.db2.gz WHWBOVWNQGDIDV-WBVHZDCISA-N 2 2 307.507 3.025 20 0 DGADLP Cc1cccc2[nH+]cc(CNc3ccccc3CC[NH+](C)C)n21 ZINC000438383948 434474420 /nfs/dbraw/zinc/47/44/20/434474420.db2.gz SSUAAUHQDQBXKQ-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2cccs2)cc1 ZINC000423525877 434476441 /nfs/dbraw/zinc/47/64/41/434476441.db2.gz PUWXQTBHMFAYDH-BBRMVZONSA-N 2 2 302.443 3.054 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2cccs2)cc1 ZINC000423525892 434476751 /nfs/dbraw/zinc/47/67/51/434476751.db2.gz PUWXQTBHMFAYDH-CZUORRHYSA-N 2 2 302.443 3.054 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2cccs2)cc1 ZINC000423525891 434477238 /nfs/dbraw/zinc/47/72/38/434477238.db2.gz PUWXQTBHMFAYDH-CJNGLKHVSA-N 2 2 302.443 3.054 20 0 DGADLP CC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000423541756 434479310 /nfs/dbraw/zinc/47/93/10/434479310.db2.gz AUABYQFLRGDPLN-SFHVURJKSA-N 3 2 303.494 3.004 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423497213 434458398 /nfs/dbraw/zinc/45/83/98/434458398.db2.gz GFXSWUGHMBHPCK-CXAGYDPISA-N 2 2 312.413 3.328 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)[C@H]1CC[NH3+] ZINC000404339602 434510963 /nfs/dbraw/zinc/51/09/63/434510963.db2.gz CWENYIQDUAUFPS-JSGCOSHPSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)[C@H]1CC[NH3+] ZINC000404339602 434510973 /nfs/dbraw/zinc/51/09/73/434510973.db2.gz CWENYIQDUAUFPS-JSGCOSHPSA-N 2 2 305.447 3.352 20 0 DGADLP Cc1cc2cc(C[NH+]3CCN(Cc4[nH]cc[nH+]4)CC3)oc2cc1C ZINC000353898700 434512123 /nfs/dbraw/zinc/51/21/23/434512123.db2.gz KKKFFYIEROUDPP-UHFFFAOYSA-N 2 2 324.428 3.091 20 0 DGADLP CC(C)n1ccc(C[C@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)n1 ZINC000348836581 434519384 /nfs/dbraw/zinc/51/93/84/434519384.db2.gz DKUUCSWFCSQXHE-HNNXBMFYSA-N 2 2 324.432 3.147 20 0 DGADLP CC(=O)c1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000450990183 434521178 /nfs/dbraw/zinc/52/11/78/434521178.db2.gz IBXNHGJAVWBMSN-UHFFFAOYSA-N 2 2 314.429 3.436 20 0 DGADLP CC(=O)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000450990183 434521186 /nfs/dbraw/zinc/52/11/86/434521186.db2.gz IBXNHGJAVWBMSN-UHFFFAOYSA-N 2 2 314.429 3.436 20 0 DGADLP CC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000450990183 434521190 /nfs/dbraw/zinc/52/11/90/434521190.db2.gz IBXNHGJAVWBMSN-UHFFFAOYSA-N 2 2 314.429 3.436 20 0 DGADLP CC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000450990183 434521194 /nfs/dbraw/zinc/52/11/94/434521194.db2.gz IBXNHGJAVWBMSN-UHFFFAOYSA-N 2 2 314.429 3.436 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000366853172 434521784 /nfs/dbraw/zinc/52/17/84/434521784.db2.gz AZNZWCAQPQKKIR-HHXXYDBFSA-N 2 2 324.472 3.223 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000366853172 434521795 /nfs/dbraw/zinc/52/17/95/434521795.db2.gz AZNZWCAQPQKKIR-HHXXYDBFSA-N 2 2 324.472 3.223 20 0 DGADLP C[C@]1([NH2+]CCC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000405974124 434526465 /nfs/dbraw/zinc/52/64/65/434526465.db2.gz WNJFFXAIJYXENE-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP C[C@]1([NH2+]CCC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000405974124 434526472 /nfs/dbraw/zinc/52/64/72/434526472.db2.gz WNJFFXAIJYXENE-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c[nH+]1 ZINC000353925034 434530020 /nfs/dbraw/zinc/53/00/20/434530020.db2.gz CJGQFCXHXQIOQE-LJQANCHMSA-N 2 2 315.436 3.354 20 0 DGADLP CCn1c[nH+]cc1CNc1ccccc1C[NH+]1CCSCC1 ZINC000417818703 434532291 /nfs/dbraw/zinc/53/22/91/434532291.db2.gz BDUFCNHEDZQZKH-UHFFFAOYSA-N 2 2 316.474 3.064 20 0 DGADLP CN1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CCCCC2)C1 ZINC000353931108 434532483 /nfs/dbraw/zinc/53/24/83/434532483.db2.gz IGQSLPUIWXRRNJ-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP CN1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CCCCC2)C1 ZINC000353931108 434532487 /nfs/dbraw/zinc/53/24/87/434532487.db2.gz IGQSLPUIWXRRNJ-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353944640 434539555 /nfs/dbraw/zinc/53/95/55/434539555.db2.gz KXYZWSBWKUJHKN-RBUKOAKNSA-N 2 2 313.445 3.226 20 0 DGADLP Cc1ccn2c(CN(CC[NH+](C)C)Cc3ccccc3)c[nH+]c2c1 ZINC000348907543 434550538 /nfs/dbraw/zinc/55/05/38/434550538.db2.gz XFPUHBPDQBCJDZ-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973823 434552570 /nfs/dbraw/zinc/55/25/70/434552570.db2.gz QSNUSZQPLRTJFW-DLBZAZTESA-N 2 2 318.461 3.373 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973823 434552575 /nfs/dbraw/zinc/55/25/75/434552575.db2.gz QSNUSZQPLRTJFW-DLBZAZTESA-N 2 2 318.461 3.373 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)ccc2n1C ZINC000525724270 295028424 /nfs/dbraw/zinc/02/84/24/295028424.db2.gz USCZFQYBAZDLMQ-SFHVURJKSA-N 2 2 322.412 3.123 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000527074273 295075343 /nfs/dbraw/zinc/07/53/43/295075343.db2.gz UQVIIRUTYLZXIG-UHFFFAOYSA-N 2 2 303.356 3.436 20 0 DGADLP C[C@@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000527283911 295088902 /nfs/dbraw/zinc/08/89/02/295088902.db2.gz PMYDOSBSGOCLTB-OLZOCXBDSA-N 2 2 308.389 3.059 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000527533524 295102146 /nfs/dbraw/zinc/10/21/46/295102146.db2.gz JWVUPLKCWLZWFK-IBGZPJMESA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000527533524 295102147 /nfs/dbraw/zinc/10/21/47/295102147.db2.gz JWVUPLKCWLZWFK-IBGZPJMESA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1Oc1cc[nH+]cc1 ZINC000423900273 434572032 /nfs/dbraw/zinc/57/20/32/434572032.db2.gz HVGIFDDFNCIRRE-KBPBESRZSA-N 2 2 311.385 3.248 20 0 DGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423909240 434573990 /nfs/dbraw/zinc/57/39/90/434573990.db2.gz QARUAMJQVKIDTO-SJCJKPOMSA-N 2 2 313.401 3.494 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000459391106 434577393 /nfs/dbraw/zinc/57/73/93/434577393.db2.gz BVYHZCMVRGSKLI-HNNXBMFYSA-N 2 2 301.409 3.371 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000459391106 434577402 /nfs/dbraw/zinc/57/74/02/434577402.db2.gz BVYHZCMVRGSKLI-HNNXBMFYSA-N 2 2 301.409 3.371 20 0 DGADLP Cc1[nH+]ccc(NCCCc2[nH+]c3ccccc3n2C)c1Cl ZINC000354020927 434581552 /nfs/dbraw/zinc/58/15/52/434581552.db2.gz ALNFZZWGGPFMIE-UHFFFAOYSA-N 2 2 314.820 3.397 20 0 DGADLP C/C(Cl)=C/C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528483933 295218198 /nfs/dbraw/zinc/21/81/98/295218198.db2.gz IPECCMVEFAZYCI-MBNGJLNHSA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C/C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528483933 295218200 /nfs/dbraw/zinc/21/82/00/295218200.db2.gz IPECCMVEFAZYCI-MBNGJLNHSA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C/C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483933 295218204 /nfs/dbraw/zinc/21/82/04/295218204.db2.gz IPECCMVEFAZYCI-MBNGJLNHSA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C/C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483933 295218205 /nfs/dbraw/zinc/21/82/05/295218205.db2.gz IPECCMVEFAZYCI-MBNGJLNHSA-N 2 2 313.898 3.348 20 0 DGADLP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000528597981 295229601 /nfs/dbraw/zinc/22/96/01/295229601.db2.gz PCSYVOQFMMZNOA-UHFFFAOYSA-N 2 2 316.493 3.008 20 0 DGADLP CC(C)(C)c1ncc2c(n1)CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000528597981 295229603 /nfs/dbraw/zinc/22/96/03/295229603.db2.gz PCSYVOQFMMZNOA-UHFFFAOYSA-N 2 2 316.493 3.008 20 0 DGADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000418112818 434588906 /nfs/dbraw/zinc/58/89/06/434588906.db2.gz HWKYNWQZIFMHNU-LBPRGKRZSA-N 2 2 311.267 3.236 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC(OC4CCC4)CC3)cc2)c[nH+]1 ZINC000418097456 434587198 /nfs/dbraw/zinc/58/71/98/434587198.db2.gz NRYXTRXONZZNGR-UHFFFAOYSA-N 2 2 311.429 3.406 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360554590 434638087 /nfs/dbraw/zinc/63/80/87/434638087.db2.gz XRFIFJSXYGBYIH-OAHLLOKOSA-N 2 2 315.244 3.058 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360554590 434638089 /nfs/dbraw/zinc/63/80/89/434638089.db2.gz XRFIFJSXYGBYIH-OAHLLOKOSA-N 2 2 315.244 3.058 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000459640569 434643569 /nfs/dbraw/zinc/64/35/69/434643569.db2.gz XGDIBQWCFCHXJN-DSLXNQLJSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000459640569 434643574 /nfs/dbraw/zinc/64/35/74/434643574.db2.gz XGDIBQWCFCHXJN-DSLXNQLJSA-N 2 2 302.462 3.368 20 0 DGADLP CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC(C)(C)C ZINC000409448021 434602610 /nfs/dbraw/zinc/60/26/10/434602610.db2.gz KUVBDIMUQCAZHG-INIZCTEOSA-N 2 2 317.477 3.382 20 0 DGADLP CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC(C)(C)C ZINC000409448021 434602615 /nfs/dbraw/zinc/60/26/15/434602615.db2.gz KUVBDIMUQCAZHG-INIZCTEOSA-N 2 2 317.477 3.382 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000459755556 434698012 /nfs/dbraw/zinc/69/80/12/434698012.db2.gz OZOHCTNPFWIGFF-ZIAGYGMSSA-N 2 2 309.417 3.326 20 0 DGADLP Cc1ccc(CCC[NH2+]CCN2CCc3sccc3C2)c[nH+]1 ZINC000354156926 434646307 /nfs/dbraw/zinc/64/63/07/434646307.db2.gz DBBHQEAMGZCQGA-UHFFFAOYSA-N 2 2 315.486 3.032 20 0 DGADLP C[NH+]1CCC([N@H+](C/C=C/c2ccncc2)Cc2ccco2)CC1 ZINC000349252899 434652234 /nfs/dbraw/zinc/65/22/34/434652234.db2.gz VMCRYNWQOBPDOF-DUXPYHPUSA-N 2 2 311.429 3.284 20 0 DGADLP C[NH+]1CCC([N@@H+](C/C=C/c2ccncc2)Cc2ccco2)CC1 ZINC000349252899 434652242 /nfs/dbraw/zinc/65/22/42/434652242.db2.gz VMCRYNWQOBPDOF-DUXPYHPUSA-N 2 2 311.429 3.284 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000459669250 434656653 /nfs/dbraw/zinc/65/66/53/434656653.db2.gz CVYANSHBWQFYNT-ZTRSQXPZSA-N 2 2 302.462 3.369 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000459669250 434656661 /nfs/dbraw/zinc/65/66/61/434656661.db2.gz CVYANSHBWQFYNT-ZTRSQXPZSA-N 2 2 302.462 3.369 20 0 DGADLP COCCOc1ccccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354177099 434656778 /nfs/dbraw/zinc/65/67/78/434656778.db2.gz ZCPLZYVWETXBQB-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP COc1ccc(OC)c(CC[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354181772 434659553 /nfs/dbraw/zinc/65/95/53/434659553.db2.gz NFHNFBUXRHVIJY-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP Cc1ccc(CCC[NH2+]CCN2c3ccccc3C[C@@H]2C)c[nH+]1 ZINC000354190196 434663084 /nfs/dbraw/zinc/66/30/84/434663084.db2.gz NWGWZNVKXOFXMR-KRWDZBQOSA-N 2 2 309.457 3.363 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207298 434668039 /nfs/dbraw/zinc/66/80/39/434668039.db2.gz MBWUPVDDWWGSHA-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207298 434668047 /nfs/dbraw/zinc/66/80/47/434668047.db2.gz MBWUPVDDWWGSHA-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207298 434668051 /nfs/dbraw/zinc/66/80/51/434668051.db2.gz MBWUPVDDWWGSHA-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207298 434668059 /nfs/dbraw/zinc/66/80/59/434668059.db2.gz MBWUPVDDWWGSHA-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424263466 434669778 /nfs/dbraw/zinc/66/97/78/434669778.db2.gz HHNQLONZRPUOQW-HZPDHXFCSA-N 2 2 301.459 3.111 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424263466 434669783 /nfs/dbraw/zinc/66/97/83/434669783.db2.gz HHNQLONZRPUOQW-HZPDHXFCSA-N 2 2 301.459 3.111 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000349318666 434671466 /nfs/dbraw/zinc/67/14/66/434671466.db2.gz CDMYSQQJTHCHOM-PKOBYXMFSA-N 2 2 316.489 3.381 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219868 434673768 /nfs/dbraw/zinc/67/37/68/434673768.db2.gz FRWOVNWYKKYRAA-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219868 434673770 /nfs/dbraw/zinc/67/37/70/434673770.db2.gz FRWOVNWYKKYRAA-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219868 434673774 /nfs/dbraw/zinc/67/37/74/434673774.db2.gz FRWOVNWYKKYRAA-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219868 434673775 /nfs/dbraw/zinc/67/37/75/434673775.db2.gz FRWOVNWYKKYRAA-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226053 434676220 /nfs/dbraw/zinc/67/62/20/434676220.db2.gz UYPCEFQUDFXYCJ-GDBMZVCRSA-N 2 2 312.461 3.243 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226053 434676225 /nfs/dbraw/zinc/67/62/25/434676225.db2.gz UYPCEFQUDFXYCJ-GDBMZVCRSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226053 434676234 /nfs/dbraw/zinc/67/62/34/434676234.db2.gz UYPCEFQUDFXYCJ-GDBMZVCRSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226053 434676239 /nfs/dbraw/zinc/67/62/39/434676239.db2.gz UYPCEFQUDFXYCJ-GDBMZVCRSA-N 2 2 312.461 3.243 20 0 DGADLP c1csc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000424286841 434677813 /nfs/dbraw/zinc/67/78/13/434677813.db2.gz WMQORWWCHCACBX-HZPDHXFCSA-N 2 2 324.453 3.228 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224718 434678678 /nfs/dbraw/zinc/67/86/78/434678678.db2.gz OWDVPRGCKQPMTA-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224718 434678685 /nfs/dbraw/zinc/67/86/85/434678685.db2.gz OWDVPRGCKQPMTA-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224718 434678690 /nfs/dbraw/zinc/67/86/90/434678690.db2.gz OWDVPRGCKQPMTA-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224718 434678698 /nfs/dbraw/zinc/67/86/98/434678698.db2.gz OWDVPRGCKQPMTA-NVXWUHKLSA-N 2 2 318.461 3.073 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734140 434682327 /nfs/dbraw/zinc/68/23/27/434682327.db2.gz AEFVGHSLSADBNC-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734140 434682331 /nfs/dbraw/zinc/68/23/31/434682331.db2.gz AEFVGHSLSADBNC-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000360734140 434682338 /nfs/dbraw/zinc/68/23/38/434682338.db2.gz AEFVGHSLSADBNC-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000360734140 434682345 /nfs/dbraw/zinc/68/23/45/434682345.db2.gz AEFVGHSLSADBNC-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ncc(C(C)C)s1)CCC2 ZINC000371749106 434746410 /nfs/dbraw/zinc/74/64/10/434746410.db2.gz YDGAKBQJFXADGG-ZDUSSCGKSA-N 2 2 304.463 3.439 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(Cl)c1 ZINC000424340910 434703416 /nfs/dbraw/zinc/70/34/16/434703416.db2.gz ZGCJMKMAAHKJPS-BPLDGKMQSA-N 2 2 323.868 3.143 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccn(C)n1 ZINC000459767367 434710244 /nfs/dbraw/zinc/71/02/44/434710244.db2.gz WUAULCFCQTZFLR-BQFCYCMXSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccn(C)n1 ZINC000459767367 434710249 /nfs/dbraw/zinc/71/02/49/434710249.db2.gz WUAULCFCQTZFLR-BQFCYCMXSA-N 2 2 312.461 3.124 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000424362620 434712289 /nfs/dbraw/zinc/71/22/89/434712289.db2.gz AMVYCNRULMMOEP-QZTJIDSGSA-N 2 2 321.896 3.164 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1OC(F)F ZINC000424379559 434714793 /nfs/dbraw/zinc/71/47/93/434714793.db2.gz VPPWOFUZAIMNRR-OASPWFOLSA-N 2 2 302.340 3.348 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc3c(c2)OCCCO3)c[nH+]1 ZINC000354348264 434731170 /nfs/dbraw/zinc/73/11/70/434731170.db2.gz NCASLFWMVGPWBM-UHFFFAOYSA-N 2 2 312.413 3.274 20 0 DGADLP C[N@H+](CCc1cncs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000411376815 434771385 /nfs/dbraw/zinc/77/13/85/434771385.db2.gz LIVVAFCOOVXQFB-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP C[N@@H+](CCc1cncs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000411376815 434771391 /nfs/dbraw/zinc/77/13/91/434771391.db2.gz LIVVAFCOOVXQFB-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2c1 ZINC000411317902 434761443 /nfs/dbraw/zinc/76/14/43/434761443.db2.gz CSAOOPIODFLABI-YLJYHZDGSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000411317902 434761450 /nfs/dbraw/zinc/76/14/50/434761450.db2.gz CSAOOPIODFLABI-YLJYHZDGSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317902 434761455 /nfs/dbraw/zinc/76/14/55/434761455.db2.gz CSAOOPIODFLABI-YLJYHZDGSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317902 434761457 /nfs/dbraw/zinc/76/14/57/434761457.db2.gz CSAOOPIODFLABI-YLJYHZDGSA-N 2 2 309.457 3.459 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000453058146 434786853 /nfs/dbraw/zinc/78/68/53/434786853.db2.gz KBEQKKOPJOIMEY-KRWDZBQOSA-N 2 2 324.472 3.446 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000361094179 434794818 /nfs/dbraw/zinc/79/48/18/434794818.db2.gz BILSFYIYXBDFOE-INIZCTEOSA-N 2 2 303.475 3.369 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000361094179 434794823 /nfs/dbraw/zinc/79/48/23/434794823.db2.gz BILSFYIYXBDFOE-INIZCTEOSA-N 2 2 303.475 3.369 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000361135741 434808248 /nfs/dbraw/zinc/80/82/48/434808248.db2.gz IUPJFEQGBJINQR-ZACQAIPSSA-N 2 2 324.509 3.066 20 0 DGADLP COC(=O)c1occc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000361140992 434810549 /nfs/dbraw/zinc/81/05/49/434810549.db2.gz LTTVYTQDXLGHEI-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP Cc1nc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc[nH+]1 ZINC000361160856 434817396 /nfs/dbraw/zinc/81/73/96/434817396.db2.gz CPYWUCFEVXRWIC-MRXNPFEDSA-N 2 2 316.836 3.109 20 0 DGADLP CC[N@H+](CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)C1CC1 ZINC000361188596 434824138 /nfs/dbraw/zinc/82/41/38/434824138.db2.gz DOPBSYMTRHRDKI-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)C1CC1 ZINC000361188596 434824143 /nfs/dbraw/zinc/82/41/43/434824143.db2.gz DOPBSYMTRHRDKI-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361187774 434825050 /nfs/dbraw/zinc/82/50/50/434825050.db2.gz JHMONAQMQAWTKE-ZOWXZIJZSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361187774 434825055 /nfs/dbraw/zinc/82/50/55/434825055.db2.gz JHMONAQMQAWTKE-ZOWXZIJZSA-N 2 2 308.372 3.005 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361188883 434825120 /nfs/dbraw/zinc/82/51/20/434825120.db2.gz UMYQBJXCEUHABT-FKGLVLAHSA-N 2 2 310.388 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361188883 434825123 /nfs/dbraw/zinc/82/51/23/434825123.db2.gz UMYQBJXCEUHABT-FKGLVLAHSA-N 2 2 310.388 3.107 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000361187107 434825548 /nfs/dbraw/zinc/82/55/48/434825548.db2.gz HZVHECYZJJGTFI-OAHLLOKOSA-N 2 2 310.388 3.252 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000361232818 434836842 /nfs/dbraw/zinc/83/68/42/434836842.db2.gz PULXEMSWMYIIPN-DNVCBOLYSA-N 2 2 316.489 3.399 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254401 434842009 /nfs/dbraw/zinc/84/20/09/434842009.db2.gz DQXXUSSZWOMWTL-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254401 434842012 /nfs/dbraw/zinc/84/20/12/434842012.db2.gz DQXXUSSZWOMWTL-IAGOWNOFSA-N 2 2 310.869 3.228 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1C ZINC000453253678 434842092 /nfs/dbraw/zinc/84/20/92/434842092.db2.gz CWKKRRXRQKCUPK-MSOLQXFVSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1C ZINC000453253678 434842094 /nfs/dbraw/zinc/84/20/94/434842094.db2.gz CWKKRRXRQKCUPK-MSOLQXFVSA-N 2 2 304.478 3.109 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc2ccccc21 ZINC000453260215 434842916 /nfs/dbraw/zinc/84/29/16/434842916.db2.gz QWRIZZCPVZPEET-WMZOPIPTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc2ccccc21 ZINC000453260215 434842921 /nfs/dbraw/zinc/84/29/21/434842921.db2.gz QWRIZZCPVZPEET-WMZOPIPTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453259204 434843315 /nfs/dbraw/zinc/84/33/15/434843315.db2.gz PSOUUNSRJYMYII-JTDSTZFVSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453259204 434843316 /nfs/dbraw/zinc/84/33/16/434843316.db2.gz PSOUUNSRJYMYII-JTDSTZFVSA-N 2 2 302.462 3.061 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453265320 434844370 /nfs/dbraw/zinc/84/43/70/434844370.db2.gz NLUJKAVCQVBQJG-MOPGFXCFSA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453265320 434844374 /nfs/dbraw/zinc/84/43/74/434844374.db2.gz NLUJKAVCQVBQJG-MOPGFXCFSA-N 2 2 304.478 3.210 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265848 434844585 /nfs/dbraw/zinc/84/45/85/434844585.db2.gz WWEUSBQKQFBKCV-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265848 434844586 /nfs/dbraw/zinc/84/45/86/434844586.db2.gz WWEUSBQKQFBKCV-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453265786 434844597 /nfs/dbraw/zinc/84/45/97/434844597.db2.gz NXQDQBDGGUIXOS-FFZOFVMBSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453265786 434844599 /nfs/dbraw/zinc/84/45/99/434844599.db2.gz NXQDQBDGGUIXOS-FFZOFVMBSA-N 2 2 316.489 3.307 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453263390 434844909 /nfs/dbraw/zinc/84/49/09/434844909.db2.gz TYVIENUBUAXLTI-RBUKOAKNSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453263390 434844913 /nfs/dbraw/zinc/84/49/13/434844913.db2.gz TYVIENUBUAXLTI-RBUKOAKNSA-N 2 2 304.478 3.137 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000453274540 434846061 /nfs/dbraw/zinc/84/60/61/434846061.db2.gz WKMDMPCUZAIQOL-FUHWJXTLSA-N 2 2 322.518 3.416 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000453274540 434846063 /nfs/dbraw/zinc/84/60/63/434846063.db2.gz WKMDMPCUZAIQOL-FUHWJXTLSA-N 2 2 322.518 3.416 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278626 434848180 /nfs/dbraw/zinc/84/81/80/434848180.db2.gz YZTNYPGIZXNFLY-DNVCBOLYSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278626 434848182 /nfs/dbraw/zinc/84/81/82/434848182.db2.gz YZTNYPGIZXNFLY-DNVCBOLYSA-N 2 2 302.462 3.061 20 0 DGADLP c1cn(CCC[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c[nH+]1 ZINC000412007262 434853158 /nfs/dbraw/zinc/85/31/58/434853158.db2.gz DASLZZFJKVWKRC-GOSISDBHSA-N 2 2 311.429 3.127 20 0 DGADLP c1cn(CCC[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c[nH+]1 ZINC000412007262 434853161 /nfs/dbraw/zinc/85/31/61/434853161.db2.gz DASLZZFJKVWKRC-GOSISDBHSA-N 2 2 311.429 3.127 20 0 DGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC[NH+](C)C)cc1 ZINC000553258221 434883259 /nfs/dbraw/zinc/88/32/59/434883259.db2.gz INTNOZJBJZOWDF-IBGZPJMESA-N 2 2 316.420 3.269 20 0 DGADLP c1ccc(-c2ncc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)cc1 ZINC000521831251 434898424 /nfs/dbraw/zinc/89/84/24/434898424.db2.gz BMHJMVALRZECNL-UHFFFAOYSA-N 2 2 322.456 3.250 20 0 DGADLP COc1cccc(OC)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000637889477 434901182 /nfs/dbraw/zinc/90/11/82/434901182.db2.gz QHJSFKGRYSNESA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1cccc(OC)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000637889477 434901186 /nfs/dbraw/zinc/90/11/86/434901186.db2.gz QHJSFKGRYSNESA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000554047233 434911154 /nfs/dbraw/zinc/91/11/54/434911154.db2.gz CFABRIMQPSXOGA-ZWKOTPCHSA-N 2 2 306.494 3.047 20 0 DGADLP CC(C)c1[nH+]c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c2ccccn21 ZINC000573096658 434874454 /nfs/dbraw/zinc/87/44/54/434874454.db2.gz DUUFLITYQKXNCK-RDJZCZTQSA-N 2 2 313.445 3.459 20 0 DGADLP CC(C)c1[nH+]c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c2ccccn21 ZINC000573096658 434874457 /nfs/dbraw/zinc/87/44/57/434874457.db2.gz DUUFLITYQKXNCK-RDJZCZTQSA-N 2 2 313.445 3.459 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907178 434937838 /nfs/dbraw/zinc/93/78/38/434937838.db2.gz QNNBEJLXPRXJOH-PWIZWCRZSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907178 434937840 /nfs/dbraw/zinc/93/78/40/434937840.db2.gz QNNBEJLXPRXJOH-PWIZWCRZSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000573951071 434938852 /nfs/dbraw/zinc/93/88/52/434938852.db2.gz VSWLACPIGIVCEW-RDTXWAMCSA-N 2 2 315.461 3.045 20 0 DGADLP CC[NH2+][C@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000638075794 434947873 /nfs/dbraw/zinc/94/78/73/434947873.db2.gz TWHBYCNBYGDZRD-CQSZACIVSA-N 2 2 322.412 3.246 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081115 434948819 /nfs/dbraw/zinc/94/88/19/434948819.db2.gz HLHVHXLQVWEABH-FZMZJTMJSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081115 434948826 /nfs/dbraw/zinc/94/88/26/434948826.db2.gz HLHVHXLQVWEABH-FZMZJTMJSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081115 434948828 /nfs/dbraw/zinc/94/88/28/434948828.db2.gz HLHVHXLQVWEABH-FZMZJTMJSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081115 434948833 /nfs/dbraw/zinc/94/88/33/434948833.db2.gz HLHVHXLQVWEABH-FZMZJTMJSA-N 2 2 307.438 3.207 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000574120312 434951766 /nfs/dbraw/zinc/95/17/66/434951766.db2.gz KGHKGXKGKOGXCS-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000574120312 434951769 /nfs/dbraw/zinc/95/17/69/434951769.db2.gz KGHKGXKGKOGXCS-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)on1 ZINC000574120312 434951773 /nfs/dbraw/zinc/95/17/73/434951773.db2.gz KGHKGXKGKOGXCS-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)on1 ZINC000574120312 434951776 /nfs/dbraw/zinc/95/17/76/434951776.db2.gz KGHKGXKGKOGXCS-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CCC2 ZINC000574124802 434951862 /nfs/dbraw/zinc/95/18/62/434951862.db2.gz KGMVUWLPWCLJLT-JSGCOSHPSA-N 2 2 322.449 3.072 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109806 434956221 /nfs/dbraw/zinc/95/62/21/434956221.db2.gz HKFMWIWHHUDYHN-GJZGRUSLSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109806 434956225 /nfs/dbraw/zinc/95/62/25/434956225.db2.gz HKFMWIWHHUDYHN-GJZGRUSLSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109806 434956227 /nfs/dbraw/zinc/95/62/27/434956227.db2.gz HKFMWIWHHUDYHN-GJZGRUSLSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109806 434956230 /nfs/dbraw/zinc/95/62/30/434956230.db2.gz HKFMWIWHHUDYHN-GJZGRUSLSA-N 2 2 306.450 3.008 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@H]3CCC[C@H]32)cc1 ZINC000574173404 434956368 /nfs/dbraw/zinc/95/63/68/434956368.db2.gz IYQYHRMNISGQQR-CEXWTWQISA-N 2 2 322.456 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@H]3CCC[C@H]32)cc1 ZINC000574173404 434956372 /nfs/dbraw/zinc/95/63/72/434956372.db2.gz IYQYHRMNISGQQR-CEXWTWQISA-N 2 2 322.456 3.009 20 0 DGADLP FC(F)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000555003109 434956629 /nfs/dbraw/zinc/95/66/29/434956629.db2.gz SNKIVVPNLHLDOS-UHFFFAOYSA-N 2 2 317.383 3.432 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110262 434956777 /nfs/dbraw/zinc/95/67/77/434956777.db2.gz KFUPCBZUWNDRRI-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110262 434956782 /nfs/dbraw/zinc/95/67/82/434956782.db2.gz KFUPCBZUWNDRRI-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110262 434956787 /nfs/dbraw/zinc/95/67/87/434956787.db2.gz KFUPCBZUWNDRRI-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110262 434956793 /nfs/dbraw/zinc/95/67/93/434956793.db2.gz KFUPCBZUWNDRRI-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(Cl)c1OC ZINC000574216762 434960630 /nfs/dbraw/zinc/96/06/30/434960630.db2.gz FVFPKIGEVPAEHD-DGCLKSJQSA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(Cl)c1OC ZINC000574216762 434960632 /nfs/dbraw/zinc/96/06/32/434960632.db2.gz FVFPKIGEVPAEHD-DGCLKSJQSA-N 2 2 312.841 3.059 20 0 DGADLP CC[N@@H+](Cc1ccns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638140018 434964057 /nfs/dbraw/zinc/96/40/57/434964057.db2.gz SROCZSLIGJXZJA-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[N@H+](Cc1ccns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638140018 434964062 /nfs/dbraw/zinc/96/40/62/434964062.db2.gz SROCZSLIGJXZJA-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1ccns1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638140018 434964064 /nfs/dbraw/zinc/96/40/64/434964064.db2.gz SROCZSLIGJXZJA-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1ccns1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638140018 434964070 /nfs/dbraw/zinc/96/40/70/434964070.db2.gz SROCZSLIGJXZJA-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000463568167 434966587 /nfs/dbraw/zinc/96/65/87/434966587.db2.gz OETPADRBEMRJRO-QOKNQOGYSA-N 2 2 302.462 3.045 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)[C@@H](C)C1 ZINC000463568167 434966592 /nfs/dbraw/zinc/96/65/92/434966592.db2.gz OETPADRBEMRJRO-QOKNQOGYSA-N 2 2 302.462 3.045 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464059098 434975033 /nfs/dbraw/zinc/97/50/33/434975033.db2.gz MZLQTMADVQQEPN-NZSAHSFTSA-N 2 2 316.489 3.269 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462831942 434933486 /nfs/dbraw/zinc/93/34/86/434933486.db2.gz FAKCFQLHFNVFNK-UMVBOHGHSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462831942 434933489 /nfs/dbraw/zinc/93/34/89/434933489.db2.gz FAKCFQLHFNVFNK-UMVBOHGHSA-N 2 2 300.368 3.437 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017874 434934470 /nfs/dbraw/zinc/93/44/70/434934470.db2.gz JFOUXHQLUQLJKN-HKUYNNGSSA-N 2 2 310.445 3.047 20 0 DGADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)c[nH+]1 ZINC000638017874 434934474 /nfs/dbraw/zinc/93/44/74/434934474.db2.gz JFOUXHQLUQLJKN-HKUYNNGSSA-N 2 2 310.445 3.047 20 0 DGADLP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638448479 435033503 /nfs/dbraw/zinc/03/35/03/435033503.db2.gz CZZLCGXNHPKJTN-OALUTQOASA-N 2 2 302.462 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000638448479 435033506 /nfs/dbraw/zinc/03/35/06/435033506.db2.gz CZZLCGXNHPKJTN-OALUTQOASA-N 2 2 302.462 3.200 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638370633 435015862 /nfs/dbraw/zinc/01/58/62/435015862.db2.gz DKWRJBYNVPBLCI-HUUCEWRRSA-N 2 2 301.434 3.285 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC1(F)F ZINC000638384252 435019164 /nfs/dbraw/zinc/01/91/64/435019164.db2.gz BWEOKIZIJVDOJU-BLLLJJGKSA-N 2 2 312.379 3.423 20 0 DGADLP Cc1ccccc1CCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000555880375 434990044 /nfs/dbraw/zinc/99/00/44/434990044.db2.gz LJPURHJNGWANGC-GOSISDBHSA-N 2 2 316.489 3.113 20 0 DGADLP Cc1ccccc1CCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000555880375 434990049 /nfs/dbraw/zinc/99/00/49/434990049.db2.gz LJPURHJNGWANGC-GOSISDBHSA-N 2 2 316.489 3.113 20 0 DGADLP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)[NH+]2CCCC2)cc1 ZINC000638283770 434996798 /nfs/dbraw/zinc/99/67/98/434996798.db2.gz ZZHWMBXWJODVRQ-XKQJLSEDSA-N 2 2 324.415 3.465 20 0 DGADLP OCc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000638287777 434998636 /nfs/dbraw/zinc/99/86/36/434998636.db2.gz WLYQRFJNFRBPKG-FQEVSTJZSA-N 2 2 310.441 3.106 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)onc1C1CC1 ZINC000638302704 434999659 /nfs/dbraw/zinc/99/96/59/434999659.db2.gz VTRGLEMNWDCIIF-UHFFFAOYSA-N 2 2 311.429 3.306 20 0 DGADLP CC1=CC[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CC1 ZINC000556253598 435002478 /nfs/dbraw/zinc/00/24/78/435002478.db2.gz LPYAQGQYXFKJTR-NVXWUHKLSA-N 2 2 300.450 3.133 20 0 DGADLP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)cc1O ZINC000638320504 435005359 /nfs/dbraw/zinc/00/53/59/435005359.db2.gz NDSHRMUOZGZEBC-UHFFFAOYSA-N 2 2 312.841 3.017 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)OC ZINC000638342733 435008917 /nfs/dbraw/zinc/00/89/17/435008917.db2.gz NYGZRVFZUSUJAC-YJBOKZPZSA-N 2 2 301.434 3.082 20 0 DGADLP CC(C)[C@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCCCC1 ZINC000638348753 435010126 /nfs/dbraw/zinc/01/01/26/435010126.db2.gz BNAVAKHNEPSYRW-ABHNRTSZSA-N 2 2 304.482 3.077 20 0 DGADLP CC(C)[C@@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCCCC1 ZINC000638348754 435010290 /nfs/dbraw/zinc/01/02/90/435010290.db2.gz BNAVAKHNEPSYRW-DAWZGUTISA-N 2 2 304.482 3.077 20 0 DGADLP Cc1ccc2c(C)cc(NCc3c[nH+]c4n3CCCC4)[nH+]c2c1 ZINC000557688079 435063321 /nfs/dbraw/zinc/06/33/21/435063321.db2.gz VUKYKRRJVUVBLQ-UHFFFAOYSA-N 2 2 306.413 3.997 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000638676701 435067199 /nfs/dbraw/zinc/06/71/99/435067199.db2.gz PZFDVKYDSRNRAH-VQIMIIECSA-N 2 2 310.445 3.176 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000638676701 435067202 /nfs/dbraw/zinc/06/72/02/435067202.db2.gz PZFDVKYDSRNRAH-VQIMIIECSA-N 2 2 310.445 3.176 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492889749 435067583 /nfs/dbraw/zinc/06/75/83/435067583.db2.gz BDHKZLDSELPHBA-KVPUOBJLSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492889749 435067588 /nfs/dbraw/zinc/06/75/88/435067588.db2.gz BDHKZLDSELPHBA-KVPUOBJLSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000638700382 435071951 /nfs/dbraw/zinc/07/19/51/435071951.db2.gz QORONJZMIGVOPZ-BMFZPTHFSA-N 2 2 301.459 3.188 20 0 DGADLP CC(C)O[C@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000638723254 435078316 /nfs/dbraw/zinc/07/83/16/435078316.db2.gz ZEZZMVGVLNECBF-MSOLQXFVSA-N 2 2 322.518 3.180 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400335 435087592 /nfs/dbraw/zinc/08/75/92/435087592.db2.gz MLOIBYRSFGVRCF-QGZUEGPWSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400335 435087597 /nfs/dbraw/zinc/08/75/97/435087597.db2.gz MLOIBYRSFGVRCF-QGZUEGPWSA-N 2 2 306.400 3.396 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC1(F)F ZINC000638777885 435088110 /nfs/dbraw/zinc/08/81/10/435088110.db2.gz MJTGOKBEHVSLII-IUODEOHRSA-N 2 2 324.419 3.068 20 0 DGADLP CCC[C@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)OC ZINC000638788789 435089335 /nfs/dbraw/zinc/08/93/35/435089335.db2.gz VZASSHMQFAQVNU-CRAIPNDOSA-N 2 2 305.466 3.012 20 0 DGADLP CCOc1cccc(C[N@H+](C)CCC[NH+](C)C)c1OC(F)F ZINC000558416571 435089419 /nfs/dbraw/zinc/08/94/19/435089419.db2.gz YXNQGAGJBSAYAF-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP CCOc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1OC(F)F ZINC000558416571 435089420 /nfs/dbraw/zinc/08/94/20/435089420.db2.gz YXNQGAGJBSAYAF-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP Cc1ccc([C@H](C[NH2+]CCC[C@@H]2CCO2)[NH+]2CCCC2)cc1 ZINC000638455981 435035659 /nfs/dbraw/zinc/03/56/59/435035659.db2.gz ZNHLMFBSRUJTMA-MOPGFXCFSA-N 2 2 302.462 3.291 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000638788615 435089808 /nfs/dbraw/zinc/08/98/08/435089808.db2.gz MUZYFMOAZNDLIV-OAHLLOKOSA-N 2 2 319.518 3.340 20 0 DGADLP CC[C@@](C)(C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)OC ZINC000638788804 435090254 /nfs/dbraw/zinc/09/02/54/435090254.db2.gz WXTDLCKHNFUQLQ-YJBOKZPZSA-N 2 2 305.466 3.012 20 0 DGADLP COC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000557509184 435056338 /nfs/dbraw/zinc/05/63/38/435056338.db2.gz SLBWEVOMAWIPMN-QGZVFWFLSA-N 2 2 310.869 3.493 20 0 DGADLP CCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000578678404 435102091 /nfs/dbraw/zinc/10/20/91/435102091.db2.gz RXPBGJNNUWYYNZ-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000578678404 435102096 /nfs/dbraw/zinc/10/20/96/435102096.db2.gz RXPBGJNNUWYYNZ-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664725 435102713 /nfs/dbraw/zinc/10/27/13/435102713.db2.gz VYNONJZGJWXZCT-KBPBESRZSA-N 2 2 320.864 3.456 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664725 435102716 /nfs/dbraw/zinc/10/27/16/435102716.db2.gz VYNONJZGJWXZCT-KBPBESRZSA-N 2 2 320.864 3.456 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000531676706 435109027 /nfs/dbraw/zinc/10/90/27/435109027.db2.gz QECWCDYHUIBFRR-IRXDYDNUSA-N 2 2 320.477 3.011 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531676706 435109030 /nfs/dbraw/zinc/10/90/30/435109030.db2.gz QECWCDYHUIBFRR-IRXDYDNUSA-N 2 2 320.477 3.011 20 0 DGADLP CC[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765873 435109815 /nfs/dbraw/zinc/10/98/15/435109815.db2.gz QUVSXECVGXSKOV-UYAOXDASSA-N 2 2 316.489 3.367 20 0 DGADLP CC[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765873 435109820 /nfs/dbraw/zinc/10/98/20/435109820.db2.gz QUVSXECVGXSKOV-UYAOXDASSA-N 2 2 316.489 3.367 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917139 435116099 /nfs/dbraw/zinc/11/60/99/435116099.db2.gz AOYSYLWAOQPPDC-CJNGLKHVSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917139 435116102 /nfs/dbraw/zinc/11/61/02/435116102.db2.gz AOYSYLWAOQPPDC-CJNGLKHVSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917139 435116106 /nfs/dbraw/zinc/11/61/06/435116106.db2.gz AOYSYLWAOQPPDC-CJNGLKHVSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)[C@H]2C1 ZINC000638917139 435116110 /nfs/dbraw/zinc/11/61/10/435116110.db2.gz AOYSYLWAOQPPDC-CJNGLKHVSA-N 2 2 312.379 3.317 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)CC3 ZINC000493179716 435122062 /nfs/dbraw/zinc/12/20/62/435122062.db2.gz WIMNEIDGPYNWDK-VTJXTGGHSA-N 2 2 323.484 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)CC3 ZINC000493179716 435122064 /nfs/dbraw/zinc/12/20/64/435122064.db2.gz WIMNEIDGPYNWDK-VTJXTGGHSA-N 2 2 323.484 3.406 20 0 DGADLP Cc1cccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1C ZINC000531869168 435123316 /nfs/dbraw/zinc/12/33/16/435123316.db2.gz ZXFKTMPTZGOYRX-IBGZPJMESA-N 2 2 315.505 3.300 20 0 DGADLP Cc1cccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000531869168 435123318 /nfs/dbraw/zinc/12/33/18/435123318.db2.gz ZXFKTMPTZGOYRX-IBGZPJMESA-N 2 2 315.505 3.300 20 0 DGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983748 435133011 /nfs/dbraw/zinc/13/30/11/435133011.db2.gz JYMIOZGCXDBXOP-GOEBONIOSA-N 2 2 306.450 3.086 20 0 DGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983748 435133015 /nfs/dbraw/zinc/13/30/15/435133015.db2.gz JYMIOZGCXDBXOP-GOEBONIOSA-N 2 2 306.450 3.086 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CCC1CCOCC1)C1CC1 ZINC000639060807 435141245 /nfs/dbraw/zinc/14/12/45/435141245.db2.gz JKGVSNVTYOLOGJ-HXUWFJFHSA-N 2 2 316.489 3.303 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CCC1CCOCC1)C1CC1 ZINC000639060807 435141247 /nfs/dbraw/zinc/14/12/47/435141247.db2.gz JKGVSNVTYOLOGJ-HXUWFJFHSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@H](C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)C[NH+]1CCOCC1 ZINC000532230861 435150533 /nfs/dbraw/zinc/15/05/33/435150533.db2.gz OQLXNBGRHDVVNG-SPYBWZPUSA-N 2 2 320.452 3.007 20 0 DGADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CC(C)(F)F)c1ccccc1O2 ZINC000559892777 435141474 /nfs/dbraw/zinc/14/14/74/435141474.db2.gz ZFWDPTHQGIGTDY-AWEZNQCLSA-N 2 2 310.388 3.219 20 0 DGADLP C[C@]1(C[NH2+]CCC[C@H]2CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000639071178 435143281 /nfs/dbraw/zinc/14/32/81/435143281.db2.gz HAISHLADYZDMCH-RBUKOAKNSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@]1(C[NH2+]CCC[C@H]2CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000639071178 435143288 /nfs/dbraw/zinc/14/32/88/435143288.db2.gz HAISHLADYZDMCH-RBUKOAKNSA-N 2 2 302.462 3.200 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000474045903 435143856 /nfs/dbraw/zinc/14/38/56/435143856.db2.gz QDRPYMPRRHMRTJ-ZNZDAUKMSA-N 2 2 314.473 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000474045903 435143860 /nfs/dbraw/zinc/14/38/60/435143860.db2.gz QDRPYMPRRHMRTJ-ZNZDAUKMSA-N 2 2 314.473 3.490 20 0 DGADLP CCOC1CC(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000639072340 435145362 /nfs/dbraw/zinc/14/53/62/435145362.db2.gz VYVPGWBSBNZIFY-MHJFOBGBSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1CC(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000639072340 435145367 /nfs/dbraw/zinc/14/53/67/435145367.db2.gz VYVPGWBSBNZIFY-MHJFOBGBSA-N 2 2 316.489 3.446 20 0 DGADLP CO[C@](C)(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000639175716 435184791 /nfs/dbraw/zinc/18/47/91/435184791.db2.gz OYTWSFLRFAOCQK-GOSISDBHSA-N 2 2 305.466 3.190 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000493765874 435190888 /nfs/dbraw/zinc/19/08/88/435190888.db2.gz NLJVQZMGNHRHOB-COMQUAJESA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000493765874 435190892 /nfs/dbraw/zinc/19/08/92/435190892.db2.gz NLJVQZMGNHRHOB-COMQUAJESA-N 2 2 304.400 3.427 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000639195215 435193322 /nfs/dbraw/zinc/19/33/22/435193322.db2.gz RREUIBFKUBWWNX-SFHVURJKSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000639195215 435193325 /nfs/dbraw/zinc/19/33/25/435193325.db2.gz RREUIBFKUBWWNX-SFHVURJKSA-N 2 2 313.445 3.375 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878507 435198958 /nfs/dbraw/zinc/19/89/58/435198958.db2.gz LSXFEEGBLVKECW-NVXWUHKLSA-N 2 2 319.497 3.280 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878507 435198959 /nfs/dbraw/zinc/19/89/59/435198959.db2.gz LSXFEEGBLVKECW-NVXWUHKLSA-N 2 2 319.497 3.280 20 0 DGADLP C[N@H+](CC1CCCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560160273 435151756 /nfs/dbraw/zinc/15/17/56/435151756.db2.gz YZTJLSZAIMIULX-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@@H+](CC1CCCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560160273 435151761 /nfs/dbraw/zinc/15/17/61/435151761.db2.gz YZTJLSZAIMIULX-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+](CC1CCCC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560160273 435151764 /nfs/dbraw/zinc/15/17/64/435151764.db2.gz YZTJLSZAIMIULX-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+](CC1CCCC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560160273 435151767 /nfs/dbraw/zinc/15/17/67/435151767.db2.gz YZTJLSZAIMIULX-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP O=C(/C=C/c1[nH]cc[nH+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000493369899 435158097 /nfs/dbraw/zinc/15/80/97/435158097.db2.gz OKSXXCDZRYRLHW-BQYQJAHWSA-N 2 2 310.401 3.048 20 0 DGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cs1 ZINC000579488856 435159771 /nfs/dbraw/zinc/15/97/71/435159771.db2.gz UXDVASXXVAABJX-OLZOCXBDSA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cs1 ZINC000579488856 435159777 /nfs/dbraw/zinc/15/97/77/435159777.db2.gz UXDVASXXVAABJX-OLZOCXBDSA-N 2 2 317.458 3.130 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000532352630 435160855 /nfs/dbraw/zinc/16/08/55/435160855.db2.gz JUEMDQIJNGSVOP-WMZOPIPTSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000532352630 435160856 /nfs/dbraw/zinc/16/08/56/435160856.db2.gz JUEMDQIJNGSVOP-WMZOPIPTSA-N 2 2 311.429 3.091 20 0 DGADLP C[C@H](C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000474815817 435163005 /nfs/dbraw/zinc/16/30/05/435163005.db2.gz GVXHKUANIVNQLY-OWCLPIDISA-N 2 2 324.896 3.390 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000474883492 435165251 /nfs/dbraw/zinc/16/52/51/435165251.db2.gz PFQHRZVOYDQCJX-HKUYNNGSSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532516786 435173339 /nfs/dbraw/zinc/17/33/39/435173339.db2.gz SBHPTXHPYSRVNO-IHPCNDPISA-N 2 2 318.505 3.284 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532516786 435173343 /nfs/dbraw/zinc/17/33/43/435173343.db2.gz SBHPTXHPYSRVNO-IHPCNDPISA-N 2 2 318.505 3.284 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532516787 435173364 /nfs/dbraw/zinc/17/33/64/435173364.db2.gz SBHPTXHPYSRVNO-SXLOBPIMSA-N 2 2 318.505 3.284 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532516787 435173369 /nfs/dbraw/zinc/17/33/69/435173369.db2.gz SBHPTXHPYSRVNO-SXLOBPIMSA-N 2 2 318.505 3.284 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)C1CCOCC1)[NH+](C)C ZINC000475091564 435175192 /nfs/dbraw/zinc/17/51/92/435175192.db2.gz JDQDWDDCHTVMQV-MDZRGWNJSA-N 2 2 304.478 3.391 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000475091630 435175303 /nfs/dbraw/zinc/17/53/03/435175303.db2.gz JYRWOCJNLQABJE-WBVHZDCISA-N 2 2 320.477 3.165 20 0 DGADLP Cc1ncc([C@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)c(C)n1 ZINC000639166488 435181250 /nfs/dbraw/zinc/18/12/50/435181250.db2.gz LOGYQHGFDCLXFL-HNNXBMFYSA-N 2 2 316.449 3.201 20 0 DGADLP Cc1ncc([C@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)c(C)n1 ZINC000639166488 435181254 /nfs/dbraw/zinc/18/12/54/435181254.db2.gz LOGYQHGFDCLXFL-HNNXBMFYSA-N 2 2 316.449 3.201 20 0 DGADLP Cc1ncc([C@H](C)[NH+](C)CCC[N@H+](C)Cc2ccco2)c(C)n1 ZINC000639166488 435181257 /nfs/dbraw/zinc/18/12/57/435181257.db2.gz LOGYQHGFDCLXFL-HNNXBMFYSA-N 2 2 316.449 3.201 20 0 DGADLP Cc1ncc([C@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)c(C)n1 ZINC000639166488 435181261 /nfs/dbraw/zinc/18/12/61/435181261.db2.gz LOGYQHGFDCLXFL-HNNXBMFYSA-N 2 2 316.449 3.201 20 0 DGADLP COC[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CC1 ZINC000639177943 435183510 /nfs/dbraw/zinc/18/35/10/435183510.db2.gz DGNDFMRVCPYKCT-IPMKNSEASA-N 2 2 311.429 3.126 20 0 DGADLP CC(C)([NH3+])CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000648165026 435215126 /nfs/dbraw/zinc/21/51/26/435215126.db2.gz XMSNQLSJUJLHME-UHFFFAOYSA-N 2 2 324.428 3.058 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000639257140 435215227 /nfs/dbraw/zinc/21/52/27/435215227.db2.gz JKMRVSDENYFCKT-VQIMIIECSA-N 2 2 311.429 3.441 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000639257140 435215232 /nfs/dbraw/zinc/21/52/32/435215232.db2.gz JKMRVSDENYFCKT-VQIMIIECSA-N 2 2 311.429 3.441 20 0 DGADLP c1cn2c(cccc2C[NH+]2CCC3(CCSCC3)CC2)[nH+]1 ZINC000639374162 435272652 /nfs/dbraw/zinc/27/26/52/435272652.db2.gz BQFQEWWFIKZEJI-UHFFFAOYSA-N 2 2 301.459 3.444 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000639378537 435273715 /nfs/dbraw/zinc/27/37/15/435273715.db2.gz HPADAUVEMHZGLU-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000639376617 435274770 /nfs/dbraw/zinc/27/47/70/435274770.db2.gz RLRLDMDGXLBFFZ-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000584121728 435277334 /nfs/dbraw/zinc/27/73/34/435277334.db2.gz WEHRINOIVJVLST-AWEZNQCLSA-N 2 2 324.415 3.309 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000584121728 435277339 /nfs/dbraw/zinc/27/73/39/435277339.db2.gz WEHRINOIVJVLST-AWEZNQCLSA-N 2 2 324.415 3.309 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648377002 435279179 /nfs/dbraw/zinc/27/91/79/435279179.db2.gz VPFYGGXXPUEUPN-SMDDNHRTSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648377002 435279183 /nfs/dbraw/zinc/27/91/83/435279183.db2.gz VPFYGGXXPUEUPN-SMDDNHRTSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648377002 435279186 /nfs/dbraw/zinc/27/91/86/435279186.db2.gz VPFYGGXXPUEUPN-SMDDNHRTSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648377002 435279191 /nfs/dbraw/zinc/27/91/91/435279191.db2.gz VPFYGGXXPUEUPN-SMDDNHRTSA-N 2 2 307.825 3.396 20 0 DGADLP Clc1cnc2oc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2c1 ZINC000648410288 435290765 /nfs/dbraw/zinc/29/07/65/435290765.db2.gz OOSCWUCCQONGLE-UHFFFAOYSA-N 2 2 305.809 3.198 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCO[C@H](CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412732 435290800 /nfs/dbraw/zinc/29/08/00/435290800.db2.gz XAMNTKPRZKNGBM-VAMGGRTRSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCO[C@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412732 435290805 /nfs/dbraw/zinc/29/08/05/435290805.db2.gz XAMNTKPRZKNGBM-VAMGGRTRSA-N 2 2 316.489 3.371 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)o1 ZINC000643318637 435303252 /nfs/dbraw/zinc/30/32/52/435303252.db2.gz JEBPULBLKNWCAY-UHFFFAOYSA-N 2 2 315.417 3.063 20 0 DGADLP CO[C@@](C)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320247 435303421 /nfs/dbraw/zinc/30/34/21/435303421.db2.gz RMWOGWXIWOCYNG-QUCCMNQESA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@](C)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320247 435303426 /nfs/dbraw/zinc/30/34/26/435303426.db2.gz RMWOGWXIWOCYNG-QUCCMNQESA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000648462542 435308447 /nfs/dbraw/zinc/30/84/47/435308447.db2.gz IWLIDDYCGSBTMO-RCCFBDPRSA-N 2 2 313.445 3.251 20 0 DGADLP C[NH+](C)CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511541172 435323635 /nfs/dbraw/zinc/32/36/35/435323635.db2.gz KKNGSCIHJNDXSK-AWEZNQCLSA-N 2 2 302.340 3.188 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000511626477 435325263 /nfs/dbraw/zinc/32/52/63/435325263.db2.gz JAUXNUBHVPLQAX-LNCHUYFUSA-N 2 2 314.473 3.451 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000511626477 435325269 /nfs/dbraw/zinc/32/52/69/435325269.db2.gz JAUXNUBHVPLQAX-LNCHUYFUSA-N 2 2 314.473 3.451 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](Cn2cccn2)c2ccccc2)c2ccccc21 ZINC000643457317 435327177 /nfs/dbraw/zinc/32/71/77/435327177.db2.gz WZRLBTZYAOPPMF-VAMGGRTRSA-N 2 2 318.424 3.359 20 0 DGADLP COC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456297 435327679 /nfs/dbraw/zinc/32/76/79/435327679.db2.gz BGFGKRGMQRXUFC-TUKIKUTGSA-N 2 2 316.367 3.123 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000511649135 435329211 /nfs/dbraw/zinc/32/92/11/435329211.db2.gz OSGSBMAQZJLJHW-PMFHDWHASA-N 2 2 314.473 3.309 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000511649135 435329217 /nfs/dbraw/zinc/32/92/17/435329217.db2.gz OSGSBMAQZJLJHW-PMFHDWHASA-N 2 2 314.473 3.309 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457588 435330010 /nfs/dbraw/zinc/33/00/10/435330010.db2.gz PANDZEBCMBRJMO-FUHWJXTLSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457588 435330014 /nfs/dbraw/zinc/33/00/14/435330014.db2.gz PANDZEBCMBRJMO-FUHWJXTLSA-N 3 2 324.472 3.057 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567870953 435364949 /nfs/dbraw/zinc/36/49/49/435364949.db2.gz AJAAGXDDPQWYEH-ICSRJNTNSA-N 2 2 322.452 3.307 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567870953 435364953 /nfs/dbraw/zinc/36/49/53/435364953.db2.gz AJAAGXDDPQWYEH-ICSRJNTNSA-N 2 2 322.452 3.307 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000648529003 435333465 /nfs/dbraw/zinc/33/34/65/435333465.db2.gz XSCLXRJAIIOKFL-XUVXKRRUSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000648529003 435333470 /nfs/dbraw/zinc/33/34/70/435333470.db2.gz XSCLXRJAIIOKFL-XUVXKRRUSA-N 2 2 316.489 3.444 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CCO2 ZINC000643482513 435334631 /nfs/dbraw/zinc/33/46/31/435334631.db2.gz VVTASEXZSBFPFJ-IAOVAPTHSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)c(Br)c1 ZINC000643500974 435337071 /nfs/dbraw/zinc/33/70/71/435337071.db2.gz LVUDXXGTRBNNAW-JQWIXIFHSA-N 2 2 315.230 3.381 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000643493561 435337099 /nfs/dbraw/zinc/33/70/99/435337099.db2.gz FOPPSEKSBAZKTE-ALKREAHSSA-N 2 2 314.429 3.355 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643502513 435338745 /nfs/dbraw/zinc/33/87/45/435338745.db2.gz IXBPQIXHRHXNJT-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643506977 435339048 /nfs/dbraw/zinc/33/90/48/435339048.db2.gz OMHFCIZFDLITMU-HNNXBMFYSA-N 2 2 309.251 3.168 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544143 435339105 /nfs/dbraw/zinc/33/91/05/435339105.db2.gz UTAVATXULXETDF-YLJYHZDGSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544143 435339110 /nfs/dbraw/zinc/33/91/10/435339110.db2.gz UTAVATXULXETDF-YLJYHZDGSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000639544143 435339115 /nfs/dbraw/zinc/33/91/15/435339115.db2.gz UTAVATXULXETDF-YLJYHZDGSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000639544143 435339118 /nfs/dbraw/zinc/33/91/18/435339118.db2.gz UTAVATXULXETDF-YLJYHZDGSA-N 2 2 313.489 3.456 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000643502177 435339878 /nfs/dbraw/zinc/33/98/78/435339878.db2.gz ZGCBDEWTZLCBHI-OCCSQVGLSA-N 2 2 316.367 3.420 20 0 DGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643502996 435340109 /nfs/dbraw/zinc/34/01/09/435340109.db2.gz XUCLDNNAJDCLCH-WBAXXEDZSA-N 2 2 306.425 3.025 20 0 DGADLP Cc1cc(C)c(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c(C)[nH+]1 ZINC000639553126 435341455 /nfs/dbraw/zinc/34/14/55/435341455.db2.gz CDXIYEPEEUHZCL-UHFFFAOYSA-N 2 2 317.477 3.181 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000643537361 435346992 /nfs/dbraw/zinc/34/69/92/435346992.db2.gz GDZDGCAFHVAAHX-KBMXLJTQSA-N 2 2 324.440 3.225 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000643537337 435347477 /nfs/dbraw/zinc/34/74/77/435347477.db2.gz FPIWMPGQUPFHSC-BQFCYCMXSA-N 2 2 318.436 3.069 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1nc2c(s1)CCCC2 ZINC000643547254 435348704 /nfs/dbraw/zinc/34/87/04/435348704.db2.gz BWFIHMFIXGSTBC-CHWSQXEVSA-N 2 2 305.491 3.347 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000643546844 435349287 /nfs/dbraw/zinc/34/92/87/435349287.db2.gz VUBSKXGOGQLOKO-WBVHZDCISA-N 3 2 310.445 3.198 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)sc1Br ZINC000643538744 435349919 /nfs/dbraw/zinc/34/99/19/435349919.db2.gz UFJVZYAPRLOMMI-UTLUCORTSA-N 2 2 321.259 3.170 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622970 435365613 /nfs/dbraw/zinc/36/56/13/435365613.db2.gz ZIJFZAIWJZOWKY-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622970 435365622 /nfs/dbraw/zinc/36/56/22/435365622.db2.gz ZIJFZAIWJZOWKY-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP CC1(C)CO[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000639582547 435356172 /nfs/dbraw/zinc/35/61/72/435356172.db2.gz HJQFAOCWQWYAJQ-KRWDZBQOSA-N 2 2 305.466 3.190 20 0 DGADLP COC(=O)[C@H](C)[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000567782085 435356908 /nfs/dbraw/zinc/35/69/08/435356908.db2.gz YQVYJEADJANWTN-QAPCUYQASA-N 2 2 312.413 3.073 20 0 DGADLP CCC[N@H+](C)[C@@H](C[NH2+]C1CCOCC1)c1ccc(Cl)cc1 ZINC000512562292 435359697 /nfs/dbraw/zinc/35/96/97/435359697.db2.gz SQSRVIYXTNDSMV-KRWDZBQOSA-N 2 2 310.869 3.492 20 0 DGADLP CCC[N@@H+](C)[C@@H](C[NH2+]C1CCOCC1)c1ccc(Cl)cc1 ZINC000512562292 435359700 /nfs/dbraw/zinc/35/97/00/435359700.db2.gz SQSRVIYXTNDSMV-KRWDZBQOSA-N 2 2 310.869 3.492 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000512496726 435361573 /nfs/dbraw/zinc/36/15/73/435361573.db2.gz NEOXATYIYYEPAO-DOMZBBRYSA-N 2 2 324.415 3.337 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000512496726 435361578 /nfs/dbraw/zinc/36/15/78/435361578.db2.gz NEOXATYIYYEPAO-DOMZBBRYSA-N 2 2 324.415 3.337 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000480048543 435363513 /nfs/dbraw/zinc/36/35/13/435363513.db2.gz NNHXFVZUIJLECQ-AEFFLSMTSA-N 2 2 322.880 3.274 20 0 DGADLP COC1([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC000643346471 435310717 /nfs/dbraw/zinc/31/07/17/435310717.db2.gz KHCFTGNXJIOYCC-OAHLLOKOSA-N 2 2 301.434 3.123 20 0 DGADLP COC1([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC000643346467 435311729 /nfs/dbraw/zinc/31/17/29/435311729.db2.gz KHCFTGNXJIOYCC-HNNXBMFYSA-N 2 2 301.434 3.123 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000568178680 435401342 /nfs/dbraw/zinc/40/13/42/435401342.db2.gz VNQNMDYPRBLOHS-SFHVURJKSA-N 2 2 316.489 3.113 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000568178680 435401345 /nfs/dbraw/zinc/40/13/45/435401345.db2.gz VNQNMDYPRBLOHS-SFHVURJKSA-N 2 2 316.489 3.113 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000537015585 435420580 /nfs/dbraw/zinc/42/05/80/435420580.db2.gz FGPGVIXDQAOIMU-BLLLJJGKSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000537015585 435420585 /nfs/dbraw/zinc/42/05/85/435420585.db2.gz FGPGVIXDQAOIMU-BLLLJJGKSA-N 2 2 323.278 3.368 20 0 DGADLP Cc1cc(NC(=O)[C@H]2[NH2+]CC2(C)C)ccc1Oc1cc[nH+]cc1 ZINC000644157286 435420990 /nfs/dbraw/zinc/42/09/90/435420990.db2.gz GZTUYHKIGKDEEO-MRXNPFEDSA-N 2 2 311.385 3.119 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c(C)[nH+]1 ZINC000639619524 435370092 /nfs/dbraw/zinc/37/00/92/435370092.db2.gz FAILVIOZVBCXTA-SFHVURJKSA-N 2 2 311.429 3.193 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c(C)[nH+]1 ZINC000639619524 435370097 /nfs/dbraw/zinc/37/00/97/435370097.db2.gz FAILVIOZVBCXTA-SFHVURJKSA-N 2 2 311.429 3.193 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCc2cnccn2)CC1 ZINC000639619802 435371174 /nfs/dbraw/zinc/37/11/74/435371174.db2.gz UUFLGKPKKGOZKT-UHFFFAOYSA-N 2 2 321.428 3.014 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)OC ZINC000648658482 435374378 /nfs/dbraw/zinc/37/43/78/435374378.db2.gz JCUNZAYUAADLEZ-SUMWQHHRSA-N 2 2 305.397 3.162 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000513116541 435376394 /nfs/dbraw/zinc/37/63/94/435376394.db2.gz HEDIEXXQGLDUGE-SXLOBPIMSA-N 2 2 315.505 3.286 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000513116541 435376399 /nfs/dbraw/zinc/37/63/99/435376399.db2.gz HEDIEXXQGLDUGE-SXLOBPIMSA-N 2 2 315.505 3.286 20 0 DGADLP C1CC([NH+]2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)C1 ZINC000513069112 435378157 /nfs/dbraw/zinc/37/81/57/435378157.db2.gz NAULKAVAIRAFAS-UHFFFAOYSA-N 3 2 319.537 3.390 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)sn1 ZINC000643889190 435378427 /nfs/dbraw/zinc/37/84/27/435378427.db2.gz JKKMUSDYEJDMIL-CQSZACIVSA-N 2 2 316.474 3.162 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000513379057 435385690 /nfs/dbraw/zinc/38/56/90/435385690.db2.gz WJAVXLQKYBQXOY-VOBQZIQPSA-N 2 2 314.473 3.089 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000513379057 435385692 /nfs/dbraw/zinc/38/56/92/435385692.db2.gz WJAVXLQKYBQXOY-VOBQZIQPSA-N 2 2 314.473 3.089 20 0 DGADLP COC1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCCC1 ZINC000480639724 435387726 /nfs/dbraw/zinc/38/77/26/435387726.db2.gz SSYBMJZQVLYUEF-UHFFFAOYSA-N 2 2 320.452 3.339 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C2CC2)c1 ZINC000513527405 435392153 /nfs/dbraw/zinc/39/21/53/435392153.db2.gz SKUZWNJSUCEKMR-OXQOHEQNSA-N 2 2 316.489 3.338 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C2CC2)c1 ZINC000513527405 435392156 /nfs/dbraw/zinc/39/21/56/435392156.db2.gz SKUZWNJSUCEKMR-OXQOHEQNSA-N 2 2 316.489 3.338 20 0 DGADLP c1nc2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2[nH]1 ZINC000536594633 435392850 /nfs/dbraw/zinc/39/28/50/435392850.db2.gz RFYALWDCMKVYQB-UHFFFAOYSA-N 2 2 312.461 3.307 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169803 435397064 /nfs/dbraw/zinc/39/70/64/435397064.db2.gz UKOOWUBFPMIYCS-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169803 435397069 /nfs/dbraw/zinc/39/70/69/435397069.db2.gz UKOOWUBFPMIYCS-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169803 435397072 /nfs/dbraw/zinc/39/70/72/435397072.db2.gz UKOOWUBFPMIYCS-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169803 435397076 /nfs/dbraw/zinc/39/70/76/435397076.db2.gz UKOOWUBFPMIYCS-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639918276 435459621 /nfs/dbraw/zinc/45/96/21/435459621.db2.gz LPBLDPZEEYKGAO-KRWDZBQOSA-N 2 2 322.811 3.438 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccncc3)C2)s1 ZINC000568696274 435462098 /nfs/dbraw/zinc/46/20/98/435462098.db2.gz WOIBUECYOOBISI-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccncc3)C2)s1 ZINC000568696274 435462105 /nfs/dbraw/zinc/46/21/05/435462105.db2.gz WOIBUECYOOBISI-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccncc3)C2)s1 ZINC000568696274 435462113 /nfs/dbraw/zinc/46/21/13/435462113.db2.gz WOIBUECYOOBISI-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccncc3)C2)s1 ZINC000568696274 435462120 /nfs/dbraw/zinc/46/21/20/435462120.db2.gz WOIBUECYOOBISI-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000537970733 435478774 /nfs/dbraw/zinc/47/87/74/435478774.db2.gz JKFAMRKASUJYIK-OBQMCUGOSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000537970733 435478775 /nfs/dbraw/zinc/47/87/75/435478775.db2.gz JKFAMRKASUJYIK-OBQMCUGOSA-N 2 2 322.880 3.488 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000514725638 435430660 /nfs/dbraw/zinc/43/06/60/435430660.db2.gz BIDSJONPBBPOPT-KRWDZBQOSA-N 2 2 305.491 3.376 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000514725638 435430668 /nfs/dbraw/zinc/43/06/68/435430668.db2.gz BIDSJONPBBPOPT-KRWDZBQOSA-N 2 2 305.491 3.376 20 0 DGADLP CCC(C)(C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000569109714 435503548 /nfs/dbraw/zinc/50/35/48/435503548.db2.gz DDPGMPMXZKMEQP-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP CCC(C)(C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000569109714 435503551 /nfs/dbraw/zinc/50/35/51/435503551.db2.gz DDPGMPMXZKMEQP-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP CCC(C)(C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000569109714 435503557 /nfs/dbraw/zinc/50/35/57/435503557.db2.gz DDPGMPMXZKMEQP-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP CCC(C)(C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000569109714 435503560 /nfs/dbraw/zinc/50/35/60/435503560.db2.gz DDPGMPMXZKMEQP-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP CCC(C)(C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000569109715 435503680 /nfs/dbraw/zinc/50/36/80/435503680.db2.gz DDPGMPMXZKMEQP-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP CCC(C)(C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000569109715 435503684 /nfs/dbraw/zinc/50/36/84/435503684.db2.gz DDPGMPMXZKMEQP-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP CCC(C)(C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000569109715 435503689 /nfs/dbraw/zinc/50/36/89/435503689.db2.gz DDPGMPMXZKMEQP-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP CCC(C)(C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000569109715 435503691 /nfs/dbraw/zinc/50/36/91/435503691.db2.gz DDPGMPMXZKMEQP-SFHVURJKSA-N 2 2 304.478 3.398 20 0 DGADLP [NH3+]C1(c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)CCCCC1 ZINC000515830496 435506028 /nfs/dbraw/zinc/50/60/28/435506028.db2.gz XJZDKRVWZSAGOP-UHFFFAOYSA-N 2 2 323.400 3.100 20 0 DGADLP CC(C)[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC1 ZINC000538587628 435506683 /nfs/dbraw/zinc/50/66/83/435506683.db2.gz TXSNCDROCXJCBU-IBGZPJMESA-N 2 2 316.493 3.459 20 0 DGADLP CC1(F)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000640071392 435510321 /nfs/dbraw/zinc/51/03/21/435510321.db2.gz LQTOKCGEVXCFGC-GOSISDBHSA-N 2 2 320.452 3.102 20 0 DGADLP CC1(F)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000640071392 435510325 /nfs/dbraw/zinc/51/03/25/435510325.db2.gz LQTOKCGEVXCFGC-GOSISDBHSA-N 2 2 320.452 3.102 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000569212080 435512278 /nfs/dbraw/zinc/51/22/78/435512278.db2.gz SQXOGUYCQVGJMZ-FQEVSTJZSA-N 2 2 320.440 3.224 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000569245901 435515293 /nfs/dbraw/zinc/51/52/93/435515293.db2.gz PYDBMLKYJSSOBN-LMSBXDPUSA-N 2 2 306.425 3.359 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000516347733 435529802 /nfs/dbraw/zinc/52/98/02/435529802.db2.gz FIHUUNXNVJXBLU-OAHLLOKOSA-N 2 2 320.477 3.182 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000516347733 435529807 /nfs/dbraw/zinc/52/98/07/435529807.db2.gz FIHUUNXNVJXBLU-OAHLLOKOSA-N 2 2 320.477 3.182 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC000516491649 435533118 /nfs/dbraw/zinc/53/31/18/435533118.db2.gz FWQBEGBVDQSELX-HXUWFJFHSA-N 2 2 316.489 3.299 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC000516491649 435533121 /nfs/dbraw/zinc/53/31/21/435533121.db2.gz FWQBEGBVDQSELX-HXUWFJFHSA-N 2 2 316.489 3.299 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000483155546 435498502 /nfs/dbraw/zinc/49/85/02/435498502.db2.gz WRYYGUUHSQCNTB-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000483155546 435498510 /nfs/dbraw/zinc/49/85/10/435498510.db2.gz WRYYGUUHSQCNTB-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccoc1 ZINC000539689620 435561604 /nfs/dbraw/zinc/56/16/04/435561604.db2.gz OKQVSPQDOLTAGC-AWEZNQCLSA-N 2 2 314.433 3.378 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000422779665 298883550 /nfs/dbraw/zinc/88/35/50/298883550.db2.gz IPDHQDIVMYNCEI-NIKGAXFTSA-N 2 2 320.452 3.414 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc(C)c1OC(F)F ZINC000539837332 435573654 /nfs/dbraw/zinc/57/36/54/435573654.db2.gz SKQPXDUYMDTMOR-LSDHHAIUSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc(C)c1OC(F)F ZINC000539837332 435573659 /nfs/dbraw/zinc/57/36/59/435573659.db2.gz SKQPXDUYMDTMOR-LSDHHAIUSA-N 2 2 310.388 3.089 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485727522 435577939 /nfs/dbraw/zinc/57/79/39/435577939.db2.gz WHAXBHRXCCOHRI-KCXAZCMYSA-N 2 2 312.379 3.405 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485727522 435577943 /nfs/dbraw/zinc/57/79/43/435577943.db2.gz WHAXBHRXCCOHRI-KCXAZCMYSA-N 2 2 312.379 3.405 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCCCNc3cccc[nH+]3)c2c1C ZINC000645152973 435578857 /nfs/dbraw/zinc/57/88/57/435578857.db2.gz VXKGBNLFPZQQMU-UHFFFAOYSA-N 2 2 310.405 3.274 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@@H+]2CC2CCCCC2)[nH+]c1C ZINC000517176561 435579957 /nfs/dbraw/zinc/57/99/57/435579957.db2.gz OUBUCBURUGYDMN-QGZVFWFLSA-N 2 2 304.482 3.161 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)[nH+]c1C ZINC000517176561 435579961 /nfs/dbraw/zinc/57/99/61/435579961.db2.gz OUBUCBURUGYDMN-QGZVFWFLSA-N 2 2 304.482 3.161 20 0 DGADLP Fc1ccccc1-c1cnc(C[N@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000649408963 435580818 /nfs/dbraw/zinc/58/08/18/435580818.db2.gz OEMKCPYVSQSIMK-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Fc1ccccc1-c1cnc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000649408963 435580823 /nfs/dbraw/zinc/58/08/23/435580823.db2.gz OEMKCPYVSQSIMK-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414931 435583560 /nfs/dbraw/zinc/58/35/60/435583560.db2.gz AEFHKOUPFNXOFH-KFWWJZLASA-N 2 2 305.466 3.497 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414931 435583563 /nfs/dbraw/zinc/58/35/63/435583563.db2.gz AEFHKOUPFNXOFH-KFWWJZLASA-N 2 2 305.466 3.497 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000644902135 435538029 /nfs/dbraw/zinc/53/80/29/435538029.db2.gz ORZRDFFHWWIRQW-QGZVFWFLSA-N 2 2 303.381 3.256 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000644902135 435538037 /nfs/dbraw/zinc/53/80/37/435538037.db2.gz ORZRDFFHWWIRQW-QGZVFWFLSA-N 2 2 303.381 3.256 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163428 435542159 /nfs/dbraw/zinc/54/21/59/435542159.db2.gz FSBLBNYSCKWOTN-UXHICEINSA-N 2 2 316.489 3.393 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163428 435542163 /nfs/dbraw/zinc/54/21/63/435542163.db2.gz FSBLBNYSCKWOTN-UXHICEINSA-N 2 2 316.489 3.393 20 0 DGADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C(C)(C)c1ccccc1 ZINC000484467511 435545682 /nfs/dbraw/zinc/54/56/82/435545682.db2.gz AFHXRYZOTWAWDE-CRAIPNDOSA-N 2 2 306.519 3.380 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000649504005 435611086 /nfs/dbraw/zinc/61/10/86/435611086.db2.gz GRFYGCIMDGNELP-UHFFFAOYSA-N 2 2 305.466 3.173 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000649504005 435611089 /nfs/dbraw/zinc/61/10/89/435611089.db2.gz GRFYGCIMDGNELP-UHFFFAOYSA-N 2 2 305.466 3.173 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834244 435620061 /nfs/dbraw/zinc/62/00/61/435620061.db2.gz WGLSSAXLMOVZIG-DOMZBBRYSA-N 2 2 304.825 3.278 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834244 435620064 /nfs/dbraw/zinc/62/00/64/435620064.db2.gz WGLSSAXLMOVZIG-DOMZBBRYSA-N 2 2 304.825 3.278 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000517957684 435620955 /nfs/dbraw/zinc/62/09/55/435620955.db2.gz URNKFNGAJGUBLV-ONEGZZNKSA-N 2 2 322.880 3.178 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547593 435621134 /nfs/dbraw/zinc/62/11/34/435621134.db2.gz XLODVMONWNKTET-NVXWUHKLSA-N 2 2 305.466 3.173 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547593 435621138 /nfs/dbraw/zinc/62/11/38/435621138.db2.gz XLODVMONWNKTET-NVXWUHKLSA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547593 435621142 /nfs/dbraw/zinc/62/11/42/435621142.db2.gz XLODVMONWNKTET-NVXWUHKLSA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547593 435621146 /nfs/dbraw/zinc/62/11/46/435621146.db2.gz XLODVMONWNKTET-NVXWUHKLSA-N 2 2 305.466 3.173 20 0 DGADLP C[C@H](C[NH2+]C/C=C/c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000486925687 435622138 /nfs/dbraw/zinc/62/21/38/435622138.db2.gz MOJZRTGZKMURJX-LAQIPUCWSA-N 2 2 307.441 3.131 20 0 DGADLP C[C@H](C[NH2+]C/C=C/c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000486925687 435622144 /nfs/dbraw/zinc/62/21/44/435622144.db2.gz MOJZRTGZKMURJX-LAQIPUCWSA-N 2 2 307.441 3.131 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000570520837 435625710 /nfs/dbraw/zinc/62/57/10/435625710.db2.gz RUVGTDJVEJOAEE-SFHVURJKSA-N 2 2 321.534 3.129 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000570520837 435625714 /nfs/dbraw/zinc/62/57/14/435625714.db2.gz RUVGTDJVEJOAEE-SFHVURJKSA-N 2 2 321.534 3.129 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000649576371 435629673 /nfs/dbraw/zinc/62/96/73/435629673.db2.gz WYJSYULWEOGAKF-AWEZNQCLSA-N 2 2 321.428 3.174 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)c1cncnc1C)[N@@H+]1CCc2ccccc2C1 ZINC000517391243 435592901 /nfs/dbraw/zinc/59/29/01/435592901.db2.gz PBJNWQWZZASMLZ-HNAYVOBHSA-N 2 2 324.472 3.273 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)c1cncnc1C)[N@H+]1CCc2ccccc2C1 ZINC000517391243 435592904 /nfs/dbraw/zinc/59/29/04/435592904.db2.gz PBJNWQWZZASMLZ-HNAYVOBHSA-N 2 2 324.472 3.273 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284884 435596283 /nfs/dbraw/zinc/59/62/83/435596283.db2.gz KSLGHQUOHJTDOH-NVXWUHKLSA-N 2 2 320.440 3.243 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284884 435596288 /nfs/dbraw/zinc/59/62/88/435596288.db2.gz KSLGHQUOHJTDOH-NVXWUHKLSA-N 2 2 320.440 3.243 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCc2cccnc2)cc1 ZINC000540328940 435598480 /nfs/dbraw/zinc/59/84/80/435598480.db2.gz WSBHQKCFCUWWRE-MRXNPFEDSA-N 2 2 322.412 3.208 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189485 435599182 /nfs/dbraw/zinc/59/91/82/435599182.db2.gz SSLSQGTVBBJRIU-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189485 435599185 /nfs/dbraw/zinc/59/91/85/435599185.db2.gz SSLSQGTVBBJRIU-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000570189485 435599188 /nfs/dbraw/zinc/59/91/88/435599188.db2.gz SSLSQGTVBBJRIU-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000570189485 435599191 /nfs/dbraw/zinc/59/91/91/435599191.db2.gz SSLSQGTVBBJRIU-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106349 435678013 /nfs/dbraw/zinc/67/80/13/435678013.db2.gz GJDUQBCECCFUEZ-RTBURBONSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106349 435678017 /nfs/dbraw/zinc/67/80/17/435678017.db2.gz GJDUQBCECCFUEZ-RTBURBONSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106349 435678020 /nfs/dbraw/zinc/67/80/20/435678020.db2.gz GJDUQBCECCFUEZ-RTBURBONSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106349 435678025 /nfs/dbraw/zinc/67/80/25/435678025.db2.gz GJDUQBCECCFUEZ-RTBURBONSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106345 435678438 /nfs/dbraw/zinc/67/84/38/435678438.db2.gz GJDUQBCECCFUEZ-OALUTQOASA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106345 435678443 /nfs/dbraw/zinc/67/84/43/435678443.db2.gz GJDUQBCECCFUEZ-OALUTQOASA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106345 435678446 /nfs/dbraw/zinc/67/84/46/435678446.db2.gz GJDUQBCECCFUEZ-OALUTQOASA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106345 435678448 /nfs/dbraw/zinc/67/84/48/435678448.db2.gz GJDUQBCECCFUEZ-OALUTQOASA-N 2 2 316.489 3.305 20 0 DGADLP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155616 435673787 /nfs/dbraw/zinc/67/37/87/435673787.db2.gz DEBWUWSKOIPAJA-BJLQDIEVSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155616 435673790 /nfs/dbraw/zinc/67/37/90/435673790.db2.gz DEBWUWSKOIPAJA-BJLQDIEVSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155616 435673793 /nfs/dbraw/zinc/67/37/93/435673793.db2.gz DEBWUWSKOIPAJA-BJLQDIEVSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155616 435673795 /nfs/dbraw/zinc/67/37/95/435673795.db2.gz DEBWUWSKOIPAJA-BJLQDIEVSA-N 3 2 317.521 3.217 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548307125 435684098 /nfs/dbraw/zinc/68/40/98/435684098.db2.gz WULLQDPVVDNXQH-YPMHNXCESA-N 2 2 305.809 3.211 20 0 DGADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649746482 435690276 /nfs/dbraw/zinc/69/02/76/435690276.db2.gz AKPLOQQAXLIJPY-ZDUSSCGKSA-N 2 2 303.837 3.278 20 0 DGADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649746482 435690279 /nfs/dbraw/zinc/69/02/79/435690279.db2.gz AKPLOQQAXLIJPY-ZDUSSCGKSA-N 2 2 303.837 3.278 20 0 DGADLP Cc1cccc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441931 435690989 /nfs/dbraw/zinc/69/09/89/435690989.db2.gz WXYPLHHOZVMMSK-SJLPKXTDSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cccc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441931 435690991 /nfs/dbraw/zinc/69/09/91/435690991.db2.gz WXYPLHHOZVMMSK-SJLPKXTDSA-N 2 2 311.429 3.091 20 0 DGADLP CN(c1ccccc1)c1cc(NC[C@H]2CCC[C@H]([NH3+])C2)[nH+]cn1 ZINC000571305889 435696543 /nfs/dbraw/zinc/69/65/43/435696543.db2.gz VCEMADKNHKMXSI-GJZGRUSLSA-N 2 2 311.433 3.174 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641113223 435693785 /nfs/dbraw/zinc/69/37/85/435693785.db2.gz XSKIISIYLPWCPS-MRXNPFEDSA-N 2 2 301.438 3.199 20 0 DGADLP COc1ccccc1C[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000571345460 435699799 /nfs/dbraw/zinc/69/97/99/435699799.db2.gz OYSHCYHWSZZBHF-KRWDZBQOSA-N 2 2 301.434 3.094 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000641268854 435724274 /nfs/dbraw/zinc/72/42/74/435724274.db2.gz NHLPFFGGKDUYNU-UHFFFAOYSA-N 2 2 310.445 3.096 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655698921 435731763 /nfs/dbraw/zinc/73/17/63/435731763.db2.gz YXIQRNPQAAJCJS-MOPGFXCFSA-N 2 2 320.452 3.366 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccn1 ZINC000520253298 435734564 /nfs/dbraw/zinc/73/45/64/435734564.db2.gz XELWYJPKASDAKI-CYBMUJFWSA-N 2 2 310.401 3.250 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000655704573 435736371 /nfs/dbraw/zinc/73/63/71/435736371.db2.gz ZSAOPVXQKMBKKZ-APWZRJJASA-N 2 2 302.462 3.207 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655712006 435743758 /nfs/dbraw/zinc/74/37/58/435743758.db2.gz LDJJJEWEGDAITI-LPHOPBHVSA-N 2 2 302.462 3.207 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CCCn2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000655719045 435745879 /nfs/dbraw/zinc/74/58/79/435745879.db2.gz OJTIHPBMKKRAQH-FUHWJXTLSA-N 2 2 312.461 3.218 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CCCn2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000655719045 435745887 /nfs/dbraw/zinc/74/58/87/435745887.db2.gz OJTIHPBMKKRAQH-FUHWJXTLSA-N 2 2 312.461 3.218 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCn2ccnc21 ZINC000655719113 435746076 /nfs/dbraw/zinc/74/60/76/435746076.db2.gz QVDBLVWEIBFNMC-NEWSRXKRSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCn2ccnc21 ZINC000655719113 435746083 /nfs/dbraw/zinc/74/60/83/435746083.db2.gz QVDBLVWEIBFNMC-NEWSRXKRSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3ccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000655722108 435752216 /nfs/dbraw/zinc/75/22/16/435752216.db2.gz XHZLZJLOWWBUJE-QRQLOZEOSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3ccnc32)CC[N@H+]1Cc1ccccc1 ZINC000655722108 435752219 /nfs/dbraw/zinc/75/22/19/435752219.db2.gz XHZLZJLOWWBUJE-QRQLOZEOSA-N 2 2 324.472 3.361 20 0 DGADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH+]cc1F ZINC000641480457 435752470 /nfs/dbraw/zinc/75/24/70/435752470.db2.gz YWMGEEOBXTWSSZ-UHFFFAOYSA-N 2 2 314.408 3.359 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000655729266 435755265 /nfs/dbraw/zinc/75/52/65/435755265.db2.gz HUCZAHAKMXWGKJ-YJBOKZPZSA-N 2 2 324.415 3.259 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655727476 435755377 /nfs/dbraw/zinc/75/53/77/435755377.db2.gz OAKLNXAIQHKSTD-IDHHARJASA-N 2 2 300.446 3.078 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000655729264 435755416 /nfs/dbraw/zinc/75/54/16/435755416.db2.gz HUCZAHAKMXWGKJ-MAUKXSAKSA-N 2 2 324.415 3.259 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655738557 435761924 /nfs/dbraw/zinc/76/19/24/435761924.db2.gz XRHBPBOURCJHGT-ICSRJNTNSA-N 2 2 314.473 3.215 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000649794982 435706652 /nfs/dbraw/zinc/70/66/52/435706652.db2.gz ZDGUCDXWSNEPOX-KRWDZBQOSA-N 2 2 301.409 3.428 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000649794982 435706658 /nfs/dbraw/zinc/70/66/58/435706658.db2.gz ZDGUCDXWSNEPOX-KRWDZBQOSA-N 2 2 301.409 3.428 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792531 435709978 /nfs/dbraw/zinc/70/99/78/435709978.db2.gz RWGQJXUJXWNDLX-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792531 435709981 /nfs/dbraw/zinc/70/99/81/435709981.db2.gz RWGQJXUJXWNDLX-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)s1 ZINC000519792531 435709984 /nfs/dbraw/zinc/70/99/84/435709984.db2.gz RWGQJXUJXWNDLX-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)s1 ZINC000519792531 435709989 /nfs/dbraw/zinc/70/99/89/435709989.db2.gz RWGQJXUJXWNDLX-ZYHUDNBSSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000571537128 435715213 /nfs/dbraw/zinc/71/52/13/435715213.db2.gz CSWHVGRHKDUWGL-SJORKVTESA-N 2 2 317.477 3.114 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000548794036 435718727 /nfs/dbraw/zinc/71/87/27/435718727.db2.gz RAWGOBBIZPBRFC-QRQLOZEOSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000548794036 435718732 /nfs/dbraw/zinc/71/87/32/435718732.db2.gz RAWGOBBIZPBRFC-QRQLOZEOSA-N 2 2 314.473 3.371 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1F ZINC000571595186 435721228 /nfs/dbraw/zinc/72/12/28/435721228.db2.gz YMTNONYOTIYBBL-LBPRGKRZSA-N 2 2 315.392 3.279 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)c2cc1F ZINC000571595186 435721232 /nfs/dbraw/zinc/72/12/32/435721232.db2.gz YMTNONYOTIYBBL-LBPRGKRZSA-N 2 2 315.392 3.279 20 0 DGADLP COc1cc(OC)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000651683749 435789741 /nfs/dbraw/zinc/78/97/41/435789741.db2.gz LXGSDJYQUDEJQE-CQSZACIVSA-N 2 2 324.440 3.055 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000651681093 435791158 /nfs/dbraw/zinc/79/11/58/435791158.db2.gz CGPXCKNENVYKBL-SFHVURJKSA-N 2 2 319.493 3.087 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)n1C ZINC000641705157 435793420 /nfs/dbraw/zinc/79/34/20/435793420.db2.gz LWDQXSZWVMZBPD-SNVBAGLBSA-N 2 2 319.359 3.324 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1F ZINC000655783591 435797087 /nfs/dbraw/zinc/79/70/87/435797087.db2.gz SAZMVEMTBRMZCQ-MAUKXSAKSA-N 2 2 306.425 3.120 20 0 DGADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)Cc1ccc2ccccc2c1 ZINC000572235968 435797431 /nfs/dbraw/zinc/79/74/31/435797431.db2.gz QEAIDFOWEQDUGI-HXUWFJFHSA-N 2 2 323.440 3.010 20 0 DGADLP CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000572338418 435813503 /nfs/dbraw/zinc/81/35/03/435813503.db2.gz XYGZRBQUYKNLJO-KGLIPLIRSA-N 2 2 319.497 3.376 20 0 DGADLP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000572338420 435813900 /nfs/dbraw/zinc/81/39/00/435813900.db2.gz XYGZRBQUYKNLJO-ZIAGYGMSSA-N 2 2 319.497 3.376 20 0 DGADLP Clc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551044783 435818467 /nfs/dbraw/zinc/81/84/67/435818467.db2.gz YCCDAPHDKIEOMX-INIZCTEOSA-N 2 2 308.853 3.027 20 0 DGADLP Clc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551044783 435818471 /nfs/dbraw/zinc/81/84/71/435818471.db2.gz YCCDAPHDKIEOMX-INIZCTEOSA-N 2 2 308.853 3.027 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cncnc1C ZINC000655742992 435764284 /nfs/dbraw/zinc/76/42/84/435764284.db2.gz CTEJEJFMLKQQQC-ZDUSSCGKSA-N 2 2 309.417 3.048 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644223 435779330 /nfs/dbraw/zinc/77/93/30/435779330.db2.gz JDQBSBDSRGPCTA-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644223 435779334 /nfs/dbraw/zinc/77/93/34/435779334.db2.gz JDQBSBDSRGPCTA-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644223 435779339 /nfs/dbraw/zinc/77/93/39/435779339.db2.gz JDQBSBDSRGPCTA-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644223 435779342 /nfs/dbraw/zinc/77/93/42/435779342.db2.gz JDQBSBDSRGPCTA-HIFRSBDPSA-N 2 2 324.440 3.148 20 0 DGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104336 435781983 /nfs/dbraw/zinc/78/19/83/435781983.db2.gz KHKSSLATDREOCD-KRWDZBQOSA-N 2 2 324.415 3.213 20 0 DGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104336 435781989 /nfs/dbraw/zinc/78/19/89/435781989.db2.gz KHKSSLATDREOCD-KRWDZBQOSA-N 2 2 324.415 3.213 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000641677970 435783730 /nfs/dbraw/zinc/78/37/30/435783730.db2.gz GGSBQPRGJPZWRN-UHFFFAOYSA-N 2 2 317.477 3.070 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000641804927 435829425 /nfs/dbraw/zinc/82/94/25/435829425.db2.gz MFUKIZMEYSBLPG-KZNAEPCWSA-N 2 2 323.440 3.082 20 0 DGADLP c1sc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nc1-c1ccccc1 ZINC000641800748 435829450 /nfs/dbraw/zinc/82/94/50/435829450.db2.gz FDPKCFOIBJHPSP-RDJZCZTQSA-N 2 2 313.470 3.384 20 0 DGADLP c1sc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nc1-c1ccccc1 ZINC000641800748 435829458 /nfs/dbraw/zinc/82/94/58/435829458.db2.gz FDPKCFOIBJHPSP-RDJZCZTQSA-N 2 2 313.470 3.384 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000655838535 435830836 /nfs/dbraw/zinc/83/08/36/435830836.db2.gz OJOFQDQJJGTYGI-FUHIMQAGSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000655838535 435830841 /nfs/dbraw/zinc/83/08/41/435830841.db2.gz OJOFQDQJJGTYGI-FUHIMQAGSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000655836151 435831056 /nfs/dbraw/zinc/83/10/56/435831056.db2.gz DDXFVKQBXYYDCP-UWVAXJGDSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000655836151 435831061 /nfs/dbraw/zinc/83/10/61/435831061.db2.gz DDXFVKQBXYYDCP-UWVAXJGDSA-N 2 2 309.457 3.265 20 0 DGADLP Cn1cc[nH+]c1CNc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000651960514 435878078 /nfs/dbraw/zinc/87/80/78/435878078.db2.gz NVFWEQZILSIURF-UHFFFAOYSA-N 2 2 316.474 3.220 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000655847584 435839414 /nfs/dbraw/zinc/83/94/14/435839414.db2.gz BZZGNTPRQOQUJP-USXIJHARSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000655847584 435839426 /nfs/dbraw/zinc/83/94/26/435839426.db2.gz BZZGNTPRQOQUJP-USXIJHARSA-N 2 2 316.445 3.125 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655849077 435840203 /nfs/dbraw/zinc/84/02/03/435840203.db2.gz MNGSXGVMKIPWOC-GDIGMMSISA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655849077 435840212 /nfs/dbraw/zinc/84/02/12/435840212.db2.gz MNGSXGVMKIPWOC-GDIGMMSISA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655849078 435840433 /nfs/dbraw/zinc/84/04/33/435840433.db2.gz MNGSXGVMKIPWOC-JVPBZIDWSA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655849078 435840438 /nfs/dbraw/zinc/84/04/38/435840438.db2.gz MNGSXGVMKIPWOC-JVPBZIDWSA-N 2 2 315.461 3.313 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000655849185 435840461 /nfs/dbraw/zinc/84/04/61/435840461.db2.gz PWHWBVPPDJCSMB-KBAYOESNSA-N 2 2 304.482 3.002 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000655849185 435840465 /nfs/dbraw/zinc/84/04/65/435840465.db2.gz PWHWBVPPDJCSMB-KBAYOESNSA-N 2 2 304.482 3.002 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850778 435842431 /nfs/dbraw/zinc/84/24/31/435842431.db2.gz YTMSYJDPOVUXCM-NXHRZFHOSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850778 435842436 /nfs/dbraw/zinc/84/24/36/435842436.db2.gz YTMSYJDPOVUXCM-NXHRZFHOSA-N 2 2 315.461 3.010 20 0 DGADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655854950 435846543 /nfs/dbraw/zinc/84/65/43/435846543.db2.gz BELPXQXVLIDGER-UVFSVYEVSA-N 2 2 300.446 3.315 20 0 DGADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655854950 435846544 /nfs/dbraw/zinc/84/65/44/435846544.db2.gz BELPXQXVLIDGER-UVFSVYEVSA-N 2 2 300.446 3.315 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccccc3Cl)CCC2)n1C ZINC000651861001 435846621 /nfs/dbraw/zinc/84/66/21/435846621.db2.gz DOFZJUHNOWHZAW-UHFFFAOYSA-N 2 2 318.852 3.309 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655854920 435847000 /nfs/dbraw/zinc/84/70/00/435847000.db2.gz ADVIUBHWYDSZIW-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000655854920 435847005 /nfs/dbraw/zinc/84/70/05/435847005.db2.gz ADVIUBHWYDSZIW-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660661738 435848322 /nfs/dbraw/zinc/84/83/22/435848322.db2.gz FWUMYOLGXNRKMA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660661738 435848327 /nfs/dbraw/zinc/84/83/27/435848327.db2.gz FWUMYOLGXNRKMA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661738 435848335 /nfs/dbraw/zinc/84/83/35/435848335.db2.gz FWUMYOLGXNRKMA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661738 435848340 /nfs/dbraw/zinc/84/83/40/435848340.db2.gz FWUMYOLGXNRKMA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699607 435848487 /nfs/dbraw/zinc/84/84/87/435848487.db2.gz IYJTZFBQCOLUKB-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699607 435848490 /nfs/dbraw/zinc/84/84/90/435848490.db2.gz IYJTZFBQCOLUKB-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@H](C)[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699607 435848494 /nfs/dbraw/zinc/84/84/94/435848494.db2.gz IYJTZFBQCOLUKB-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@H](C)[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699607 435848500 /nfs/dbraw/zinc/84/85/00/435848500.db2.gz IYJTZFBQCOLUKB-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP COc1ccc2nc(C[NH2+]CCC[N@H+](C)CC(C)C)sc2c1 ZINC000651865679 435849653 /nfs/dbraw/zinc/84/96/53/435849653.db2.gz DJKJFFTXPIJTGX-UHFFFAOYSA-N 2 2 321.490 3.372 20 0 DGADLP COc1ccc2nc(C[NH2+]CCC[N@@H+](C)CC(C)C)sc2c1 ZINC000651865679 435849659 /nfs/dbraw/zinc/84/96/59/435849659.db2.gz DJKJFFTXPIJTGX-UHFFFAOYSA-N 2 2 321.490 3.372 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000651866159 435850796 /nfs/dbraw/zinc/85/07/96/435850796.db2.gz XEUAKDMJOMEDDY-UHFFFAOYSA-N 2 2 303.372 3.168 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000651866159 435850799 /nfs/dbraw/zinc/85/07/99/435850799.db2.gz XEUAKDMJOMEDDY-UHFFFAOYSA-N 2 2 303.372 3.168 20 0 DGADLP Cc1ccccc1C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000551789867 435851334 /nfs/dbraw/zinc/85/13/34/435851334.db2.gz UAFCLXMYNLZIQS-RBUKOAKNSA-N 2 2 318.530 3.343 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674469 435853929 /nfs/dbraw/zinc/85/39/29/435853929.db2.gz CIOMQTOWTWOSJJ-HXUWFJFHSA-N 3 2 315.505 3.115 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674469 435853934 /nfs/dbraw/zinc/85/39/34/435853934.db2.gz CIOMQTOWTWOSJJ-HXUWFJFHSA-N 3 2 315.505 3.115 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000651908714 435861603 /nfs/dbraw/zinc/86/16/03/435861603.db2.gz LZDSVWMOKQMLFH-SNRMKQJTSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000651908714 435861606 /nfs/dbraw/zinc/86/16/06/435861606.db2.gz LZDSVWMOKQMLFH-SNRMKQJTSA-N 2 2 302.462 3.227 20 0 DGADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000572746077 435861642 /nfs/dbraw/zinc/86/16/42/435861642.db2.gz VYDJICHTWAAMTK-DLBZAZTESA-N 2 2 308.416 3.471 20 0 DGADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000572746077 435861646 /nfs/dbraw/zinc/86/16/46/435861646.db2.gz VYDJICHTWAAMTK-DLBZAZTESA-N 2 2 308.416 3.471 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1ccccc1OCc1ccccc1)C1CC1 ZINC000655938350 435865151 /nfs/dbraw/zinc/86/51/51/435865151.db2.gz SWQBKLNPBZSBBP-FQEVSTJZSA-N 2 2 310.441 3.483 20 0 DGADLP C[N@H+](Cc1ccccc1OCc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000655941495 435865761 /nfs/dbraw/zinc/86/57/61/435865761.db2.gz VPGYMQNICFCGHM-LJQANCHMSA-N 2 2 310.441 3.435 20 0 DGADLP C[N@@H+](Cc1ccccc1OCc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000655941495 435865765 /nfs/dbraw/zinc/86/57/65/435865765.db2.gz VPGYMQNICFCGHM-LJQANCHMSA-N 2 2 310.441 3.435 20 0 DGADLP CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000664870014 435827276 /nfs/dbraw/zinc/82/72/76/435827276.db2.gz NUPWACLXODSTGU-UHFFFAOYSA-N 2 2 321.428 3.180 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665274808 435935837 /nfs/dbraw/zinc/93/58/37/435935837.db2.gz YUHNEOLRSKHABR-XHSDSOJGSA-N 2 2 324.415 3.369 20 0 DGADLP COCc1cc[nH+]c(NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000652068355 435902136 /nfs/dbraw/zinc/90/21/36/435902136.db2.gz BBODRZVIUQIAHL-UHFFFAOYSA-N 2 2 303.450 3.437 20 0 DGADLP Cc1[nH+]c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc2n1C ZINC000665186226 435912274 /nfs/dbraw/zinc/91/22/74/435912274.db2.gz YLHYQOJTJGBFBD-UHFFFAOYSA-N 2 2 321.424 3.381 20 0 DGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCC(F)(F)F)cc1 ZINC000665277985 435936663 /nfs/dbraw/zinc/93/66/63/435936663.db2.gz RNYIZCCMUMPNOC-BZUNDVKYSA-N 2 2 314.351 3.030 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665238032 435925069 /nfs/dbraw/zinc/92/50/69/435925069.db2.gz OQONSRVREYDLKG-YOEHRIQHSA-N 2 2 316.470 3.272 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000665250518 435928870 /nfs/dbraw/zinc/92/88/70/435928870.db2.gz UEQZJQGJMJYITM-HMXCVIKNSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253654 435930620 /nfs/dbraw/zinc/93/06/20/435930620.db2.gz YNTVDMXWROXROM-NIKGAXFTSA-N 2 2 316.420 3.475 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000665257292 435931990 /nfs/dbraw/zinc/93/19/90/435931990.db2.gz FIJHVEHHMSPCOT-HFBAOOFYSA-N 2 2 319.449 3.387 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656276409 435934815 /nfs/dbraw/zinc/93/48/15/435934815.db2.gz FVCBCESLQXNLOY-NXHRZFHOSA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656276409 435934817 /nfs/dbraw/zinc/93/48/17/435934817.db2.gz FVCBCESLQXNLOY-NXHRZFHOSA-N 2 2 300.446 3.159 20 0 DGADLP COc1ccccc1/C=C/C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262760 435995339 /nfs/dbraw/zinc/99/53/39/435995339.db2.gz OLABNKUUXOHWDJ-RMKNXTFCSA-N 2 2 321.424 3.497 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000647189327 435967592 /nfs/dbraw/zinc/96/75/92/435967592.db2.gz OTZHPINHFLAZPK-UHFFFAOYSA-N 2 2 318.509 3.426 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196819 435969998 /nfs/dbraw/zinc/96/99/98/435969998.db2.gz NPYKVALJYCQTLV-CRAIPNDOSA-N 2 2 310.445 3.258 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196819 435970002 /nfs/dbraw/zinc/97/00/02/435970002.db2.gz NPYKVALJYCQTLV-CRAIPNDOSA-N 2 2 310.445 3.258 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229058 435980868 /nfs/dbraw/zinc/98/08/68/435980868.db2.gz JYAYUBJYQWUTCZ-BVRBVLIYSA-N 2 2 317.864 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229058 435980874 /nfs/dbraw/zinc/98/08/74/435980874.db2.gz JYAYUBJYQWUTCZ-BVRBVLIYSA-N 2 2 317.864 3.218 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(F)F ZINC000647227156 435980889 /nfs/dbraw/zinc/98/08/89/435980889.db2.gz ZTBGRWOHXKLWIA-JTQLQIEISA-N 2 2 302.331 3.284 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CO1 ZINC000647252926 435993168 /nfs/dbraw/zinc/99/31/68/435993168.db2.gz BXENFGKEXOXEMJ-CJNGLKHVSA-N 2 2 308.853 3.071 20 0 DGADLP c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656280903 435937417 /nfs/dbraw/zinc/93/74/17/435937417.db2.gz CGTYFJLGTHWTFR-QGZVFWFLSA-N 2 2 314.429 3.120 20 0 DGADLP c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656280903 435937420 /nfs/dbraw/zinc/93/74/20/435937420.db2.gz CGTYFJLGTHWTFR-QGZVFWFLSA-N 2 2 314.429 3.120 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)c2ccccc21 ZINC000665283399 435940085 /nfs/dbraw/zinc/94/00/85/435940085.db2.gz NCPATXGIWWMZRP-KGLIPLIRSA-N 2 2 318.323 3.243 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000665296722 435943248 /nfs/dbraw/zinc/94/32/48/435943248.db2.gz XAYAOCOURYSVHF-ZANVPECISA-N 2 2 303.219 3.237 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000665296143 435943396 /nfs/dbraw/zinc/94/33/96/435943396.db2.gz NKYNKGARQRLRAK-AMIZOPFISA-N 2 2 317.658 3.287 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1c[nH+]ccc1N ZINC000665299344 435944151 /nfs/dbraw/zinc/94/41/51/435944151.db2.gz KXDAQLXYKAXYIT-SUMWQHHRSA-N 2 2 319.412 3.018 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000652355643 435956684 /nfs/dbraw/zinc/95/66/84/435956684.db2.gz BTWYSHGCEHJIRC-MWLCHTKSSA-N 2 2 321.412 3.420 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000652355643 435956692 /nfs/dbraw/zinc/95/66/92/435956692.db2.gz BTWYSHGCEHJIRC-MWLCHTKSSA-N 2 2 321.412 3.420 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647280946 435998986 /nfs/dbraw/zinc/99/89/86/435998986.db2.gz OIOANTAISQSXIM-JKSUJKDBSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647280946 435998988 /nfs/dbraw/zinc/99/89/88/435998988.db2.gz OIOANTAISQSXIM-JKSUJKDBSA-N 2 2 304.482 3.135 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650710732 435999581 /nfs/dbraw/zinc/99/95/81/435999581.db2.gz YDQGVPRPRGSCAM-OAHLLOKOSA-N 2 2 317.408 3.476 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294564 436004603 /nfs/dbraw/zinc/00/46/03/436004603.db2.gz HYPLCIWEOKNNAT-IAGOWNOFSA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294564 436004608 /nfs/dbraw/zinc/00/46/08/436004608.db2.gz HYPLCIWEOKNNAT-IAGOWNOFSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000650740035 436011952 /nfs/dbraw/zinc/01/19/52/436011952.db2.gz FHKHGCDZYVQAQW-ZIAGYGMSSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(F)F ZINC000647318695 436012539 /nfs/dbraw/zinc/01/25/39/436012539.db2.gz XQIVXVBZIZYUGN-DZKIICNBSA-N 2 2 311.420 3.173 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(F)F ZINC000647318695 436012543 /nfs/dbraw/zinc/01/25/43/436012543.db2.gz XQIVXVBZIZYUGN-DZKIICNBSA-N 2 2 311.420 3.173 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC000656703669 436015140 /nfs/dbraw/zinc/01/51/40/436015140.db2.gz CRHSQYZTPGBIQL-IBGZPJMESA-N 2 2 324.424 3.015 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC000656703669 436015144 /nfs/dbraw/zinc/01/51/44/436015144.db2.gz CRHSQYZTPGBIQL-IBGZPJMESA-N 2 2 324.424 3.015 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)C[N@@H+]1Cc1ccccc1 ZINC000650751046 436020035 /nfs/dbraw/zinc/02/00/35/436020035.db2.gz PJBVGXVNOMVLIO-AHRSYUTCSA-N 2 2 321.468 3.276 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)C[N@H+]1Cc1ccccc1 ZINC000650751046 436020040 /nfs/dbraw/zinc/02/00/40/436020040.db2.gz PJBVGXVNOMVLIO-AHRSYUTCSA-N 2 2 321.468 3.276 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000647336289 436020629 /nfs/dbraw/zinc/02/06/29/436020629.db2.gz UFKWPHPHCKAORM-YQQAZPJKSA-N 2 2 301.434 3.320 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000650758570 436022688 /nfs/dbraw/zinc/02/26/88/436022688.db2.gz SKFPXMKEIMBGFJ-UTKZUKDTSA-N 3 2 323.484 3.159 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000650758570 436022694 /nfs/dbraw/zinc/02/26/94/436022694.db2.gz SKFPXMKEIMBGFJ-UTKZUKDTSA-N 3 2 323.484 3.159 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C12CCC2 ZINC000647363815 436032100 /nfs/dbraw/zinc/03/21/00/436032100.db2.gz KSRARCKNPZMHOS-DLBZAZTESA-N 2 2 313.445 3.123 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC34CCOCC4)cn21 ZINC000647363893 436032665 /nfs/dbraw/zinc/03/26/65/436032665.db2.gz MXBHPIKDBIWINN-QGZVFWFLSA-N 2 2 313.445 3.124 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783052 436042941 /nfs/dbraw/zinc/04/29/41/436042941.db2.gz MYQOPPGYSUOPEG-UHFFFAOYSA-N 2 2 306.841 3.003 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783052 436042944 /nfs/dbraw/zinc/04/29/44/436042944.db2.gz MYQOPPGYSUOPEG-UHFFFAOYSA-N 2 2 306.841 3.003 20 0 DGADLP C[N@H+](Cc1ccc(Br)c(Cl)c1)CC(C)(C)[NH3+] ZINC000656785325 436046143 /nfs/dbraw/zinc/04/61/43/436046143.db2.gz NHJRSSOFFGLVKK-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP C[N@@H+](Cc1ccc(Br)c(Cl)c1)CC(C)(C)[NH3+] ZINC000656785325 436046145 /nfs/dbraw/zinc/04/61/45/436046145.db2.gz NHJRSSOFFGLVKK-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2c(F)ccc(Br)c2F)CCCC1 ZINC000656789111 436047939 /nfs/dbraw/zinc/04/79/39/436047939.db2.gz JFWBPCLCRZCZRD-UHFFFAOYSA-N 2 2 319.193 3.088 20 0 DGADLP CCCOc1c(C[NH2+]CC2([NH3+])CCCC2)cccc1OCC ZINC000656788172 436048056 /nfs/dbraw/zinc/04/80/56/436048056.db2.gz FYNBTXOFCGFNDJ-UHFFFAOYSA-N 2 2 306.450 3.235 20 0 DGADLP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480443 436059365 /nfs/dbraw/zinc/05/93/65/436059365.db2.gz OAKZLUCFVGOJGD-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480443 436059371 /nfs/dbraw/zinc/05/93/71/436059371.db2.gz OAKZLUCFVGOJGD-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480658 436061407 /nfs/dbraw/zinc/06/14/07/436061407.db2.gz WZXDEBPGQUGLRV-GDBMZVCRSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480658 436061412 /nfs/dbraw/zinc/06/14/12/436061412.db2.gz WZXDEBPGQUGLRV-GDBMZVCRSA-N 2 2 305.491 3.375 20 0 DGADLP c1cc(CCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488593 436063162 /nfs/dbraw/zinc/06/31/62/436063162.db2.gz FQSSZKOMTAEACP-OALUTQOASA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488593 436063167 /nfs/dbraw/zinc/06/31/67/436063167.db2.gz FQSSZKOMTAEACP-OALUTQOASA-N 2 2 314.473 3.161 20 0 DGADLP CC[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498948 436065755 /nfs/dbraw/zinc/06/57/55/436065755.db2.gz UPYASDIFSFTEKC-MOPGFXCFSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498948 436065756 /nfs/dbraw/zinc/06/57/56/436065756.db2.gz UPYASDIFSFTEKC-MOPGFXCFSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498948 436065757 /nfs/dbraw/zinc/06/57/57/436065757.db2.gz UPYASDIFSFTEKC-MOPGFXCFSA-N 3 2 317.521 3.204 20 0 DGADLP CC[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647498948 436065758 /nfs/dbraw/zinc/06/57/58/436065758.db2.gz UPYASDIFSFTEKC-MOPGFXCFSA-N 3 2 317.521 3.204 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000647507897 436069322 /nfs/dbraw/zinc/06/93/22/436069322.db2.gz ZPTRDEYOLKEYTE-JXFKEZNVSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000647507897 436069328 /nfs/dbraw/zinc/06/93/28/436069328.db2.gz ZPTRDEYOLKEYTE-JXFKEZNVSA-N 2 2 310.441 3.210 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543974 436077728 /nfs/dbraw/zinc/07/77/28/436077728.db2.gz VCJCIFYIZUMHJS-OALUTQOASA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543974 436077733 /nfs/dbraw/zinc/07/77/33/436077733.db2.gz VCJCIFYIZUMHJS-OALUTQOASA-N 3 2 324.472 3.084 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 ZINC000647801431 436126395 /nfs/dbraw/zinc/12/63/95/436126395.db2.gz VOMJBAMARIJCKY-KBPBESRZSA-N 2 2 318.323 3.243 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000653179863 436127043 /nfs/dbraw/zinc/12/70/43/436127043.db2.gz SHMOBTCIGOTVIV-OAHLLOKOSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)[nH+]1 ZINC000653179824 436127063 /nfs/dbraw/zinc/12/70/63/436127063.db2.gz KMBWJZOKASJWMO-OAHLLOKOSA-N 2 2 313.405 3.072 20 0 DGADLP c1csc(-c2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)no2)c1 ZINC000647814173 436127824 /nfs/dbraw/zinc/12/78/24/436127824.db2.gz AXKNKVUPMMCSML-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)no2)c1 ZINC000647814173 436127834 /nfs/dbraw/zinc/12/78/34/436127834.db2.gz AXKNKVUPMMCSML-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP Fc1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)cccc1OC1CC1 ZINC000657318321 436133876 /nfs/dbraw/zinc/13/38/76/436133876.db2.gz JXPWAZRRTNLESH-UHFFFAOYSA-N 2 2 318.436 3.331 20 0 DGADLP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CC[NH2+]C1 ZINC000647883398 436140684 /nfs/dbraw/zinc/14/06/84/436140684.db2.gz OHDXLODIKPQJAL-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CC[NH2+]C1 ZINC000647883398 436140687 /nfs/dbraw/zinc/14/06/87/436140687.db2.gz OHDXLODIKPQJAL-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903499 436144138 /nfs/dbraw/zinc/14/41/38/436144138.db2.gz KLFGQPAGDMVYEH-GUYCJALGSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903499 436144143 /nfs/dbraw/zinc/14/41/43/436144143.db2.gz KLFGQPAGDMVYEH-GUYCJALGSA-N 2 2 308.853 3.313 20 0 DGADLP Clc1ccc2c(CC[NH2+]Cc3c[nH+]c4n3CCC4)c[nH]c2c1 ZINC000657336491 436144580 /nfs/dbraw/zinc/14/45/80/436144580.db2.gz UCZUHCNHYDZQBX-UHFFFAOYSA-N 2 2 314.820 3.296 20 0 DGADLP Fc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(F)c1F ZINC000657345765 436152707 /nfs/dbraw/zinc/15/27/07/436152707.db2.gz YSVXNVZLCTXCHC-UHFFFAOYSA-N 2 2 309.335 3.481 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000647926587 436152766 /nfs/dbraw/zinc/15/27/66/436152766.db2.gz GBYUZAIIUBDETP-UHFFFAOYSA-N 2 2 305.809 3.308 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Br)cc2C)n1C ZINC000657356592 436155619 /nfs/dbraw/zinc/15/56/19/436155619.db2.gz GLFUMYCCWPILOR-UHFFFAOYSA-N 2 2 308.223 3.089 20 0 DGADLP CC[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647939944 436155894 /nfs/dbraw/zinc/15/58/94/436155894.db2.gz GYSVPVBQGNFNQU-WBVHZDCISA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647939944 436155900 /nfs/dbraw/zinc/15/59/00/436155900.db2.gz GYSVPVBQGNFNQU-WBVHZDCISA-N 2 2 317.477 3.116 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000647954792 436156849 /nfs/dbraw/zinc/15/68/49/436156849.db2.gz CTQWCEOSCKYAAE-HXUWFJFHSA-N 2 2 318.505 3.476 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000647954792 436156853 /nfs/dbraw/zinc/15/68/53/436156853.db2.gz CTQWCEOSCKYAAE-HXUWFJFHSA-N 2 2 318.505 3.476 20 0 DGADLP CC(C)c1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000647954792 436156856 /nfs/dbraw/zinc/15/68/56/436156856.db2.gz CTQWCEOSCKYAAE-HXUWFJFHSA-N 2 2 318.505 3.476 20 0 DGADLP CC(C)c1ccc(C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000647954792 436156860 /nfs/dbraw/zinc/15/68/60/436156860.db2.gz CTQWCEOSCKYAAE-HXUWFJFHSA-N 2 2 318.505 3.476 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968595 436165700 /nfs/dbraw/zinc/16/57/00/436165700.db2.gz MFPJWTSLXDXPDW-OAHLLOKOSA-N 2 2 310.441 3.001 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968595 436165705 /nfs/dbraw/zinc/16/57/05/436165705.db2.gz MFPJWTSLXDXPDW-OAHLLOKOSA-N 2 2 310.441 3.001 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)co1 ZINC000651298234 436162530 /nfs/dbraw/zinc/16/25/30/436162530.db2.gz RZPRSROBUVQYHU-QYZOEREBSA-N 2 2 311.429 3.207 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)co1 ZINC000651298234 436162535 /nfs/dbraw/zinc/16/25/35/436162535.db2.gz RZPRSROBUVQYHU-QYZOEREBSA-N 2 2 311.429 3.207 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968595 436165688 /nfs/dbraw/zinc/16/56/88/436165688.db2.gz MFPJWTSLXDXPDW-OAHLLOKOSA-N 2 2 310.441 3.001 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968595 436165694 /nfs/dbraw/zinc/16/56/94/436165694.db2.gz MFPJWTSLXDXPDW-OAHLLOKOSA-N 2 2 310.441 3.001 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1c(C(F)(F)F)cnn1C)C(C)C ZINC000657381586 436168607 /nfs/dbraw/zinc/16/86/07/436168607.db2.gz FUCRFVALQZZLHZ-UHFFFAOYSA-N 2 2 320.403 3.037 20 0 DGADLP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382795 436171181 /nfs/dbraw/zinc/17/11/81/436171181.db2.gz LLKYKDIOHFGYKP-IEBWSBKVSA-N 2 2 311.429 3.148 20 0 DGADLP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000661737097 436172802 /nfs/dbraw/zinc/17/28/02/436172802.db2.gz WWVDQOUOYLTWQZ-QGZVFWFLSA-N 2 2 317.408 3.264 20 0 DGADLP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000661737097 436172807 /nfs/dbraw/zinc/17/28/07/436172807.db2.gz WWVDQOUOYLTWQZ-QGZVFWFLSA-N 2 2 317.408 3.264 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccc(F)cc2O1 ZINC000657400290 436181800 /nfs/dbraw/zinc/18/18/00/436181800.db2.gz QVZVDPFAWXUCJN-HNNXBMFYSA-N 2 2 315.392 3.360 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000657526270 436233680 /nfs/dbraw/zinc/23/36/80/436233680.db2.gz FJNHNWVNFUSFES-QGZVFWFLSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cn1 ZINC000657526270 436233682 /nfs/dbraw/zinc/23/36/82/436233682.db2.gz FJNHNWVNFUSFES-QGZVFWFLSA-N 2 2 312.461 3.143 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000657524922 436234438 /nfs/dbraw/zinc/23/44/38/436234438.db2.gz SZLXTEHOZBGCLN-ZDUSSCGKSA-N 2 2 304.463 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000657524922 436234440 /nfs/dbraw/zinc/23/44/40/436234440.db2.gz SZLXTEHOZBGCLN-ZDUSSCGKSA-N 2 2 304.463 3.101 20 0 DGADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526653 436235054 /nfs/dbraw/zinc/23/50/54/436235054.db2.gz KDYNVNZHMQKDFX-MRXNPFEDSA-N 2 2 312.461 3.050 20 0 DGADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526653 436235055 /nfs/dbraw/zinc/23/50/55/436235055.db2.gz KDYNVNZHMQKDFX-MRXNPFEDSA-N 2 2 312.461 3.050 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536765 436238446 /nfs/dbraw/zinc/23/84/46/436238446.db2.gz ZMHAHZNGPFEQDB-AOIWGVFYSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536765 436238449 /nfs/dbraw/zinc/23/84/49/436238449.db2.gz ZMHAHZNGPFEQDB-AOIWGVFYSA-N 2 2 309.457 3.438 20 0 DGADLP Clc1ccccc1C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657420971 436190760 /nfs/dbraw/zinc/19/07/60/436190760.db2.gz JVQHNIJHJNGWAW-UHFFFAOYSA-N 2 2 301.821 3.304 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(-c3cccnc3)c1)CCC2 ZINC000657435293 436201007 /nfs/dbraw/zinc/20/10/07/436201007.db2.gz GZZGXKYDGBJXQT-UHFFFAOYSA-N 2 2 304.397 3.181 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CS[C@@H](C(C)C)C3)cn21 ZINC000648078850 436207799 /nfs/dbraw/zinc/20/77/99/436207799.db2.gz QZCGLXNBZUCFBC-HZPDHXFCSA-N 2 2 303.475 3.305 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1OC ZINC000657466343 436214849 /nfs/dbraw/zinc/21/48/49/436214849.db2.gz GZQSXLADSZGUNX-CYBMUJFWSA-N 2 2 315.417 3.006 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478778 436221965 /nfs/dbraw/zinc/22/19/65/436221965.db2.gz FKWGEMMLULNNHI-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478778 436221968 /nfs/dbraw/zinc/22/19/68/436221968.db2.gz FKWGEMMLULNNHI-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644842 436232471 /nfs/dbraw/zinc/23/24/71/436232471.db2.gz SJTVGPGDTGJZPJ-LLVKDONJSA-N 2 2 308.788 3.085 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000657522574 436232913 /nfs/dbraw/zinc/23/29/13/436232913.db2.gz CAZFCBWTXYRZBW-CQSZACIVSA-N 2 2 316.424 3.178 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000657522574 436232916 /nfs/dbraw/zinc/23/29/16/436232916.db2.gz CAZFCBWTXYRZBW-CQSZACIVSA-N 2 2 316.424 3.178 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCC2 ZINC000657703167 436284514 /nfs/dbraw/zinc/28/45/14/436284514.db2.gz VGLFVNKONLHOMP-LSDHHAIUSA-N 2 2 303.450 3.045 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000657737172 436291996 /nfs/dbraw/zinc/29/19/96/436291996.db2.gz IOSKCPVOKOKHGR-BMFZPTHFSA-N 2 2 308.416 3.388 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000657737172 436292000 /nfs/dbraw/zinc/29/20/00/436292000.db2.gz IOSKCPVOKOKHGR-BMFZPTHFSA-N 2 2 308.416 3.388 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000657563410 436247262 /nfs/dbraw/zinc/24/72/62/436247262.db2.gz NZNWWHHQVIBFOV-DLBZAZTESA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000657563410 436247265 /nfs/dbraw/zinc/24/72/65/436247265.db2.gz NZNWWHHQVIBFOV-DLBZAZTESA-N 2 2 302.462 3.015 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000653726505 436251896 /nfs/dbraw/zinc/25/18/96/436251896.db2.gz DBUUUXAKWOQSNS-UHFFFAOYSA-N 2 2 320.440 3.390 20 0 DGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000666701944 436267713 /nfs/dbraw/zinc/26/77/13/436267713.db2.gz MHUSAXGVZHGOSR-UHFFFAOYSA-N 2 2 308.441 3.195 20 0 DGADLP CCc1csc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000653802576 436268444 /nfs/dbraw/zinc/26/84/44/436268444.db2.gz LEEHGOCDNRCHBM-UHFFFAOYSA-N 2 2 318.490 3.247 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662097165 436275342 /nfs/dbraw/zinc/27/53/42/436275342.db2.gz XRIDUPHNKUQYGX-OAHLLOKOSA-N 2 2 320.234 3.401 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662097165 436275343 /nfs/dbraw/zinc/27/53/43/436275343.db2.gz XRIDUPHNKUQYGX-OAHLLOKOSA-N 2 2 320.234 3.401 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768206 436277367 /nfs/dbraw/zinc/27/73/67/436277367.db2.gz BREBAMXMHQLUSY-INIZCTEOSA-N 2 2 318.852 3.066 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC ZINC000666768486 436277972 /nfs/dbraw/zinc/27/79/72/436277972.db2.gz GVQUEUBMCUZJJJ-GOEBONIOSA-N 2 2 306.450 3.104 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770114 436279106 /nfs/dbraw/zinc/27/91/06/436279106.db2.gz LDXZFUBUXNRRFJ-UKRRQHHQSA-N 2 2 323.868 3.097 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770256 436279283 /nfs/dbraw/zinc/27/92/83/436279283.db2.gz QJBWUHUBBUMEPV-JKSUJKDBSA-N 2 2 317.477 3.259 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cn1 ZINC000666770524 436279294 /nfs/dbraw/zinc/27/92/94/436279294.db2.gz GRQWNTJSERFJCY-KRWDZBQOSA-N 2 2 310.445 3.081 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])CC(C)C)cs2)cc1 ZINC000666798949 436283383 /nfs/dbraw/zinc/28/33/83/436283383.db2.gz ZWBCNECQTYTOPW-CQSZACIVSA-N 2 2 319.474 3.282 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])CC(C)C)cs2)cc1 ZINC000666798947 436283939 /nfs/dbraw/zinc/28/39/39/436283939.db2.gz ZWBCNECQTYTOPW-AWEZNQCLSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657982715 436349926 /nfs/dbraw/zinc/34/99/26/436349926.db2.gz WYGZLBPBDSHWPE-HNAYVOBHSA-N 2 2 309.457 3.298 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657980579 436350030 /nfs/dbraw/zinc/35/00/30/436350030.db2.gz XHFBOMJRWWMWJP-RBUKOAKNSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657980579 436350034 /nfs/dbraw/zinc/35/00/34/436350034.db2.gz XHFBOMJRWWMWJP-RBUKOAKNSA-N 2 2 316.489 3.444 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000657781596 436302692 /nfs/dbraw/zinc/30/26/92/436302692.db2.gz DQMOLMUPKCKLIH-UHFFFAOYSA-N 2 2 304.356 3.219 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657784465 436303321 /nfs/dbraw/zinc/30/33/21/436303321.db2.gz BZYUGRRSKJDHAH-KBAYOESNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657784465 436303326 /nfs/dbraw/zinc/30/33/26/436303326.db2.gz BZYUGRRSKJDHAH-KBAYOESNSA-N 2 2 302.462 3.054 20 0 DGADLP Fc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1OC(F)F ZINC000662233160 436306398 /nfs/dbraw/zinc/30/63/98/436306398.db2.gz BALLIHZKIRWWSD-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1OC(F)F ZINC000662233160 436306403 /nfs/dbraw/zinc/30/64/03/436306403.db2.gz BALLIHZKIRWWSD-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP C[C@@H]1C[N@H+](Cc2oc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000662242829 436310912 /nfs/dbraw/zinc/31/09/12/436310912.db2.gz CZZLJGMFWUSAOB-PWSUYJOCSA-N 2 2 323.234 3.364 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2oc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000662242829 436310916 /nfs/dbraw/zinc/31/09/16/436310916.db2.gz CZZLJGMFWUSAOB-PWSUYJOCSA-N 2 2 323.234 3.364 20 0 DGADLP CCC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000662255408 436314812 /nfs/dbraw/zinc/31/48/12/436314812.db2.gz YIQLWFCAPDKITR-HOCLYGCPSA-N 2 2 302.418 3.194 20 0 DGADLP CCC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000662255408 436314817 /nfs/dbraw/zinc/31/48/17/436314817.db2.gz YIQLWFCAPDKITR-HOCLYGCPSA-N 2 2 302.418 3.194 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000657817464 436316402 /nfs/dbraw/zinc/31/64/02/436316402.db2.gz OIPJGELLNVJKES-WMZOPIPTSA-N 2 2 302.462 3.371 20 0 DGADLP c1csc([C@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+]2CCCC2)c1 ZINC000657818619 436316574 /nfs/dbraw/zinc/31/65/74/436316574.db2.gz SKFCFRTWWYURJR-CABCVRRESA-N 2 2 306.475 3.186 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1c(Cl)ccc2cccnc21)C1CCCC1 ZINC000666970667 436317326 /nfs/dbraw/zinc/31/73/26/436317326.db2.gz VRVBGGGQQWFKRF-INIZCTEOSA-N 2 2 303.837 3.495 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265047 436317779 /nfs/dbraw/zinc/31/77/79/436317779.db2.gz MSHFCTDANMQNJV-HIFRSBDPSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265047 436317785 /nfs/dbraw/zinc/31/77/85/436317785.db2.gz MSHFCTDANMQNJV-HIFRSBDPSA-N 2 2 308.853 3.313 20 0 DGADLP FCC1(CF)CC([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000657832281 436321516 /nfs/dbraw/zinc/32/15/16/436321516.db2.gz BQTLFYZEUBSWJK-UHFFFAOYSA-N 2 2 318.477 3.025 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C(F)F ZINC000657845546 436324830 /nfs/dbraw/zinc/32/48/30/436324830.db2.gz LTVHLUXUARSFRZ-CYBMUJFWSA-N 2 2 311.420 3.315 20 0 DGADLP C[C@H](C[NH2+]C1CC(CF)(CF)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657851955 436325999 /nfs/dbraw/zinc/32/59/99/436325999.db2.gz IJOSZEKXGKQIDY-CQSZACIVSA-N 2 2 308.416 3.111 20 0 DGADLP C[C@H](C[NH2+]C1CC(CF)(CF)C1)[N@H+]1CCc2ccccc2C1 ZINC000657851955 436326002 /nfs/dbraw/zinc/32/60/02/436326002.db2.gz IJOSZEKXGKQIDY-CQSZACIVSA-N 2 2 308.416 3.111 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1OC ZINC000667065095 436333669 /nfs/dbraw/zinc/33/36/69/436333669.db2.gz QPVJMNFAOUIFCK-IIAWOOMASA-N 2 2 306.450 3.103 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccccc1 ZINC000657895442 436335651 /nfs/dbraw/zinc/33/56/51/436335651.db2.gz JEDIANZLXZXZJA-SJORKVTESA-N 2 2 321.428 3.025 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057527 436361016 /nfs/dbraw/zinc/36/10/16/436361016.db2.gz PALGVRXLNBVJFJ-LSDHHAIUSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057527 436361018 /nfs/dbraw/zinc/36/10/18/436361018.db2.gz PALGVRXLNBVJFJ-LSDHHAIUSA-N 2 2 314.477 3.346 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059208 436361068 /nfs/dbraw/zinc/36/10/68/436361068.db2.gz VZSOEZAHDGYBFK-JKSUJKDBSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059208 436361069 /nfs/dbraw/zinc/36/10/69/436361069.db2.gz VZSOEZAHDGYBFK-JKSUJKDBSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059231 436362437 /nfs/dbraw/zinc/36/24/37/436362437.db2.gz WIWQNLIXHJHIJQ-YJBOKZPZSA-N 2 2 312.461 3.396 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059231 436362440 /nfs/dbraw/zinc/36/24/40/436362440.db2.gz WIWQNLIXHJHIJQ-YJBOKZPZSA-N 2 2 312.461 3.396 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060832 436363457 /nfs/dbraw/zinc/36/34/57/436363457.db2.gz NCLZOJZBNIGKOZ-WCQYABFASA-N 2 2 303.406 3.057 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060832 436363460 /nfs/dbraw/zinc/36/34/60/436363460.db2.gz NCLZOJZBNIGKOZ-WCQYABFASA-N 2 2 303.406 3.057 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093325 436373646 /nfs/dbraw/zinc/37/36/46/436373646.db2.gz UHLYWANXTUPPNM-LSDHHAIUSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093325 436373649 /nfs/dbraw/zinc/37/36/49/436373649.db2.gz UHLYWANXTUPPNM-LSDHHAIUSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c2nccn21 ZINC000658195497 436398946 /nfs/dbraw/zinc/39/89/46/436398946.db2.gz VFLKFFXIRGJUSP-OIISXLGYSA-N 2 2 321.428 3.196 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000658238156 436407991 /nfs/dbraw/zinc/40/79/91/436407991.db2.gz HXNNBEHWSMRPSB-AEFFLSMTSA-N 2 2 301.478 3.039 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658240126 436408649 /nfs/dbraw/zinc/40/86/49/436408649.db2.gz QGTVZDTYOZUYLB-CVEARBPZSA-N 2 2 311.473 3.345 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)[C@H](C)C2 ZINC000658244217 436409591 /nfs/dbraw/zinc/40/95/91/436409591.db2.gz KKGFQEJHNAXFBS-ZTNFWEORSA-N 2 2 314.473 3.071 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CCCO2 ZINC000658054742 436359318 /nfs/dbraw/zinc/35/93/18/436359318.db2.gz GJYXVBKRTVUKGV-YOEHRIQHSA-N 2 2 318.461 3.371 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658054635 436359380 /nfs/dbraw/zinc/35/93/80/436359380.db2.gz FTSIJCKROFCONQ-NVXWUHKLSA-N 2 2 320.477 3.235 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658054635 436359383 /nfs/dbraw/zinc/35/93/83/436359383.db2.gz FTSIJCKROFCONQ-NVXWUHKLSA-N 2 2 320.477 3.235 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055416 436359934 /nfs/dbraw/zinc/35/99/34/436359934.db2.gz IVJDWOGVTGAUBA-HKUYNNGSSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055416 436359938 /nfs/dbraw/zinc/35/99/38/436359938.db2.gz IVJDWOGVTGAUBA-HKUYNNGSSA-N 2 2 316.489 3.479 20 0 DGADLP Oc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1Cl ZINC000663344772 436442901 /nfs/dbraw/zinc/44/29/01/436442901.db2.gz WMNZVACIGFLKRN-CQSZACIVSA-N 2 2 308.853 3.257 20 0 DGADLP Oc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1Cl ZINC000663344772 436442904 /nfs/dbraw/zinc/44/29/04/436442904.db2.gz WMNZVACIGFLKRN-CQSZACIVSA-N 2 2 308.853 3.257 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCc1ccccc1-2 ZINC000663352614 436445503 /nfs/dbraw/zinc/44/55/03/436445503.db2.gz VGFDKRGJWQKQSL-KSZLIROESA-N 2 2 322.456 3.076 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCc1ccccc1-2 ZINC000663352614 436445505 /nfs/dbraw/zinc/44/55/05/436445505.db2.gz VGFDKRGJWQKQSL-KSZLIROESA-N 2 2 322.456 3.076 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280538 436415293 /nfs/dbraw/zinc/41/52/93/436415293.db2.gz JKDYTWPQTQFLEN-KBMXLJTQSA-N 2 2 323.431 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280538 436415296 /nfs/dbraw/zinc/41/52/96/436415296.db2.gz JKDYTWPQTQFLEN-KBMXLJTQSA-N 2 2 323.431 3.173 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283023 436416975 /nfs/dbraw/zinc/41/69/75/436416975.db2.gz ACLJRUTUIYZEFF-ZWKOTPCHSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283023 436416977 /nfs/dbraw/zinc/41/69/77/436416977.db2.gz ACLJRUTUIYZEFF-ZWKOTPCHSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286789 436419418 /nfs/dbraw/zinc/41/94/18/436419418.db2.gz VDMVNIGEHIQZAY-MNEFBYGVSA-N 2 2 320.452 3.367 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286789 436419422 /nfs/dbraw/zinc/41/94/22/436419422.db2.gz VDMVNIGEHIQZAY-MNEFBYGVSA-N 2 2 320.452 3.367 20 0 DGADLP Clc1sc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1Br ZINC000663501088 436470368 /nfs/dbraw/zinc/47/03/68/436470368.db2.gz SADNQTDADIAOGK-UHFFFAOYSA-N 2 2 321.671 3.006 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663498690 436470880 /nfs/dbraw/zinc/47/08/80/436470880.db2.gz DFDJGQQOBDOXPA-BHIYHBOVSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663498690 436470882 /nfs/dbraw/zinc/47/08/82/436470882.db2.gz DFDJGQQOBDOXPA-BHIYHBOVSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663498693 436470969 /nfs/dbraw/zinc/47/09/69/436470969.db2.gz DFDJGQQOBDOXPA-YTQUADARSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663498693 436470974 /nfs/dbraw/zinc/47/09/74/436470974.db2.gz DFDJGQQOBDOXPA-YTQUADARSA-N 3 2 303.494 3.003 20 0 DGADLP Cc1ccc(COc2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)cc1 ZINC000663497720 436471002 /nfs/dbraw/zinc/47/10/02/436471002.db2.gz JHOGTUCWMWKPHT-UHFFFAOYSA-N 2 2 322.452 3.416 20 0 DGADLP c1ccc(COc2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)cc1 ZINC000663502021 436472211 /nfs/dbraw/zinc/47/22/11/436472211.db2.gz NVRLSOMTTXHHLN-UHFFFAOYSA-N 2 2 308.425 3.107 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000663736491 436499291 /nfs/dbraw/zinc/49/92/91/436499291.db2.gz XKBCUCQDLKQBBC-LIRRHRJNSA-N 2 2 322.456 3.270 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000663736491 436499293 /nfs/dbraw/zinc/49/92/93/436499293.db2.gz XKBCUCQDLKQBBC-LIRRHRJNSA-N 2 2 322.456 3.270 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC3(CCC[N@H+]3C)CC2)[nH+]1 ZINC000663769901 436505382 /nfs/dbraw/zinc/50/53/82/436505382.db2.gz WVRLNWRPSJXEOT-UHFFFAOYSA-N 2 2 313.367 3.473 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC3(CCC[N@@H+]3C)CC2)[nH+]1 ZINC000663769901 436505384 /nfs/dbraw/zinc/50/53/84/436505384.db2.gz WVRLNWRPSJXEOT-UHFFFAOYSA-N 2 2 313.367 3.473 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447400 436550183 /nfs/dbraw/zinc/55/01/83/436550183.db2.gz QZJPPXVIZWWLFF-KUHUBIRLSA-N 2 2 324.428 3.159 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CC[N@@H+](C(C)(C)C)C3)c2c1C ZINC000664137413 436562403 /nfs/dbraw/zinc/56/24/03/436562403.db2.gz PUDJULSCMZZCJZ-CYBMUJFWSA-N 2 2 301.438 3.107 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CC[N@H+](C(C)(C)C)C3)c2c1C ZINC000664137413 436562406 /nfs/dbraw/zinc/56/24/06/436562406.db2.gz PUDJULSCMZZCJZ-CYBMUJFWSA-N 2 2 301.438 3.107 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2OC(F)F)CC1 ZINC000659983818 436571347 /nfs/dbraw/zinc/57/13/47/436571347.db2.gz WMQDKCNNOSZZSU-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2OC(F)F)CC1 ZINC000659983818 436571349 /nfs/dbraw/zinc/57/13/49/436571349.db2.gz WMQDKCNNOSZZSU-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659982697 436572099 /nfs/dbraw/zinc/57/20/99/436572099.db2.gz UWGGCRJUQFKHSY-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659982697 436572104 /nfs/dbraw/zinc/57/21/04/436572104.db2.gz UWGGCRJUQFKHSY-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659982697 436572109 /nfs/dbraw/zinc/57/21/09/436572109.db2.gz UWGGCRJUQFKHSY-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659982697 436572113 /nfs/dbraw/zinc/57/21/13/436572113.db2.gz UWGGCRJUQFKHSY-CQSZACIVSA-N 2 2 303.475 3.460 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989459 436573923 /nfs/dbraw/zinc/57/39/23/436573923.db2.gz LMACVAYHYWOFAI-MSOLQXFVSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989459 436573925 /nfs/dbraw/zinc/57/39/25/436573925.db2.gz LMACVAYHYWOFAI-MSOLQXFVSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989459 436573930 /nfs/dbraw/zinc/57/39/30/436573930.db2.gz LMACVAYHYWOFAI-MSOLQXFVSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989459 436573932 /nfs/dbraw/zinc/57/39/32/436573932.db2.gz LMACVAYHYWOFAI-MSOLQXFVSA-N 2 2 308.441 3.054 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655684187 436574196 /nfs/dbraw/zinc/57/41/96/436574196.db2.gz ZKYHXWMHFPOOTC-RBUKOAKNSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000655686480 436574485 /nfs/dbraw/zinc/57/44/85/436574485.db2.gz IONVKBNFUBMQFW-RHSMWYFYSA-N 2 2 301.459 3.305 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@@H+]1C ZINC000659984831 436575205 /nfs/dbraw/zinc/57/52/05/436575205.db2.gz VVEFKIAXLXLNLN-AAEUAGOBSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@H+]1C ZINC000659984831 436575208 /nfs/dbraw/zinc/57/52/08/436575208.db2.gz VVEFKIAXLXLNLN-AAEUAGOBSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984831 436575212 /nfs/dbraw/zinc/57/52/12/436575212.db2.gz VVEFKIAXLXLNLN-AAEUAGOBSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984831 436575216 /nfs/dbraw/zinc/57/52/16/436575216.db2.gz VVEFKIAXLXLNLN-AAEUAGOBSA-N 2 2 316.367 3.342 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000655693328 436575779 /nfs/dbraw/zinc/57/57/79/436575779.db2.gz XJGSTOVMSYYKDA-MOPGFXCFSA-N 2 2 302.462 3.289 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655690871 436576518 /nfs/dbraw/zinc/57/65/18/436576518.db2.gz AATRUUAYZZIGJM-RBUKOAKNSA-N 2 2 302.462 3.227 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660075614 436586345 /nfs/dbraw/zinc/58/63/45/436586345.db2.gz BPMIYNXXWZZVPU-AWEZNQCLSA-N 2 2 317.458 3.390 20 0 DGADLP COc1cccc(SCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000660075614 436586346 /nfs/dbraw/zinc/58/63/46/436586346.db2.gz BPMIYNXXWZZVPU-AWEZNQCLSA-N 2 2 317.458 3.390 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116175 436589761 /nfs/dbraw/zinc/58/97/61/436589761.db2.gz ODKLECKQUZPKJE-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116175 436589763 /nfs/dbraw/zinc/58/97/63/436589763.db2.gz ODKLECKQUZPKJE-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116175 436589765 /nfs/dbraw/zinc/58/97/65/436589765.db2.gz ODKLECKQUZPKJE-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116175 436589768 /nfs/dbraw/zinc/58/97/68/436589768.db2.gz ODKLECKQUZPKJE-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP CO[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000660148526 436594789 /nfs/dbraw/zinc/59/47/89/436594789.db2.gz PPTJSHDQNQCAAO-KRWDZBQOSA-N 2 2 303.450 3.163 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660157638 436596469 /nfs/dbraw/zinc/59/64/69/436596469.db2.gz VEAVHELMTIVXQL-QRVBRYPASA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660157638 436596472 /nfs/dbraw/zinc/59/64/72/436596472.db2.gz VEAVHELMTIVXQL-QRVBRYPASA-N 2 2 321.553 3.161 20 0 DGADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660199736 436603941 /nfs/dbraw/zinc/60/39/41/436603941.db2.gz CMFILKXXHXVHKM-FUHWJXTLSA-N 2 2 322.493 3.073 20 0 DGADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660199736 436603942 /nfs/dbraw/zinc/60/39/42/436603942.db2.gz CMFILKXXHXVHKM-FUHWJXTLSA-N 2 2 322.493 3.073 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203170 436605596 /nfs/dbraw/zinc/60/55/96/436605596.db2.gz XIZDWBOERYVYGV-WMLDXEAASA-N 2 2 314.420 3.097 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203170 436605600 /nfs/dbraw/zinc/60/56/00/436605600.db2.gz XIZDWBOERYVYGV-WMLDXEAASA-N 2 2 314.420 3.097 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C(C)(C)C)c1 ZINC000422829341 302033772 /nfs/dbraw/zinc/03/37/72/302033772.db2.gz BUSIOTRAQALUGV-NXHRZFHOSA-N 2 2 304.478 3.439 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@@H]1C[NH3+] ZINC000430555045 533695458 /nfs/dbraw/zinc/69/54/58/533695458.db2.gz HQFWEUMWZJSJQZ-CRAIPNDOSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)[C@@H]1C[NH3+] ZINC000430555045 533695448 /nfs/dbraw/zinc/69/54/48/533695448.db2.gz HQFWEUMWZJSJQZ-CRAIPNDOSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(-c2cccnc2)c1)Cn1cc[nH+]c1 ZINC000178854230 312792645 /nfs/dbraw/zinc/79/26/45/312792645.db2.gz QAPBIMIHCHPSTI-MRXNPFEDSA-N 2 2 306.413 3.371 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726424 313066211 /nfs/dbraw/zinc/06/62/11/313066211.db2.gz AQLGTXUBKGEEFT-GOSISDBHSA-N 2 2 320.452 3.464 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726888 313066593 /nfs/dbraw/zinc/06/65/93/313066593.db2.gz GIDUKVZHSIOUHF-SFHVURJKSA-N 2 2 302.462 3.324 20 0 DGADLP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178810 313334556 /nfs/dbraw/zinc/33/45/56/313334556.db2.gz NZLXRLYTGLHPHD-CQSZACIVSA-N 2 2 314.351 3.002 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000538392164 313860499 /nfs/dbraw/zinc/86/04/99/313860499.db2.gz NHEOGZZPJWVYNW-CRAIPNDOSA-N 2 2 317.477 3.428 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C2CCCC2)o1 ZINC000539393939 313910351 /nfs/dbraw/zinc/91/03/51/313910351.db2.gz KEGOYAOUCBRFEE-BEFAXECRSA-N 2 2 320.477 3.377 20 0 DGADLP CCc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000541889587 314046468 /nfs/dbraw/zinc/04/64/68/314046468.db2.gz SPNQEEPCLFNDTL-DOTOQJQBSA-N 2 2 313.445 3.237 20 0 DGADLP CCc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000541889587 314046470 /nfs/dbraw/zinc/04/64/70/314046470.db2.gz SPNQEEPCLFNDTL-DOTOQJQBSA-N 2 2 313.445 3.237 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000542670021 314090336 /nfs/dbraw/zinc/09/03/36/314090336.db2.gz FIKLEJLJAMTIFY-XLIONFOSSA-N 2 2 324.472 3.420 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000542670021 314090340 /nfs/dbraw/zinc/09/03/40/314090340.db2.gz FIKLEJLJAMTIFY-XLIONFOSSA-N 2 2 324.472 3.420 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000542674625 314090681 /nfs/dbraw/zinc/09/06/81/314090681.db2.gz SMOAJUHCJQGFON-FQEVSTJZSA-N 2 2 324.472 3.278 20 0 DGADLP c1sc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc1C1CC1 ZINC000543183852 314119376 /nfs/dbraw/zinc/11/93/76/314119376.db2.gz GTTVHGRTUUJEMW-UHFFFAOYSA-N 2 2 314.458 3.492 20 0 DGADLP C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000543631746 314146820 /nfs/dbraw/zinc/14/68/20/314146820.db2.gz OHWNCCJFBOLWBW-HKUYNNGSSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000543631746 314146822 /nfs/dbraw/zinc/14/68/22/314146822.db2.gz OHWNCCJFBOLWBW-HKUYNNGSSA-N 2 2 308.510 3.247 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360966 314188050 /nfs/dbraw/zinc/18/80/50/314188050.db2.gz XIZRQPMHIHKWIG-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360966 314188054 /nfs/dbraw/zinc/18/80/54/314188054.db2.gz XIZRQPMHIHKWIG-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000544581153 314201106 /nfs/dbraw/zinc/20/11/06/314201106.db2.gz GHJDMIDZZSFFEV-LJQANCHMSA-N 2 2 310.445 3.030 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000545001870 314220985 /nfs/dbraw/zinc/22/09/85/314220985.db2.gz SGVHZNNSXSNUDJ-SUNYJGFJSA-N 2 2 320.452 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000545001870 314220989 /nfs/dbraw/zinc/22/09/89/314220989.db2.gz SGVHZNNSXSNUDJ-SUNYJGFJSA-N 2 2 320.452 3.085 20 0 DGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2)c1 ZINC000546568683 314311830 /nfs/dbraw/zinc/31/18/30/314311830.db2.gz HHJSDVDXCJXTET-RTWAWAEBSA-N 2 2 324.468 3.049 20 0 DGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc2)c1 ZINC000546568683 314311832 /nfs/dbraw/zinc/31/18/32/314311832.db2.gz HHJSDVDXCJXTET-RTWAWAEBSA-N 2 2 324.468 3.049 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525173 314377350 /nfs/dbraw/zinc/37/73/50/314377350.db2.gz UORGJNMKNVIEAM-RXQRSOPUSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525173 314377352 /nfs/dbraw/zinc/37/73/52/314377352.db2.gz UORGJNMKNVIEAM-RXQRSOPUSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525172 314377462 /nfs/dbraw/zinc/37/74/62/314377462.db2.gz UORGJNMKNVIEAM-JYPHPWERSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525172 314377464 /nfs/dbraw/zinc/37/74/64/314377464.db2.gz UORGJNMKNVIEAM-JYPHPWERSA-N 2 2 316.489 3.443 20 0 DGADLP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000555254580 314717349 /nfs/dbraw/zinc/71/73/49/314717349.db2.gz MKUYZPKHHNNNNG-SJORKVTESA-N 2 2 308.853 3.071 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000563053161 315074155 /nfs/dbraw/zinc/07/41/55/315074155.db2.gz VOMKLHIRSJHRAM-DYVFJYSZSA-N 2 2 302.443 3.286 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)sc1Br ZINC000563350291 315104676 /nfs/dbraw/zinc/10/46/76/315104676.db2.gz MGRQQOONUJNALJ-ZJUUUORDSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)sc1Br ZINC000563350291 315104678 /nfs/dbraw/zinc/10/46/78/315104678.db2.gz MGRQQOONUJNALJ-ZJUUUORDSA-N 2 2 303.269 3.131 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000564631576 315187034 /nfs/dbraw/zinc/18/70/34/315187034.db2.gz MZBJRSPBXPWZEL-LHHMMCJZSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000564631576 315187038 /nfs/dbraw/zinc/18/70/38/315187038.db2.gz MZBJRSPBXPWZEL-LHHMMCJZSA-N 2 2 302.462 3.195 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC000565242576 315246419 /nfs/dbraw/zinc/24/64/19/315246419.db2.gz PLRYMVGOGFAJMX-UHFFFAOYSA-N 3 2 312.461 3.004 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707593 315281784 /nfs/dbraw/zinc/28/17/84/315281784.db2.gz DWNKQEIHLOWJFQ-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707593 315281787 /nfs/dbraw/zinc/28/17/87/315281787.db2.gz DWNKQEIHLOWJFQ-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707593 315281789 /nfs/dbraw/zinc/28/17/89/315281789.db2.gz DWNKQEIHLOWJFQ-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707593 315281793 /nfs/dbraw/zinc/28/17/93/315281793.db2.gz DWNKQEIHLOWJFQ-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565894103 315295494 /nfs/dbraw/zinc/29/54/94/315295494.db2.gz DUVZFDNJYPCALN-RYUDHWBXSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565894103 315295496 /nfs/dbraw/zinc/29/54/96/315295496.db2.gz DUVZFDNJYPCALN-RYUDHWBXSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@@H]([NH2+]Cc1nc(-c2cc3ccccc3o2)cs1)C1C[NH2+]C1 ZINC000566090957 315310946 /nfs/dbraw/zinc/31/09/46/315310946.db2.gz UFACEKIFRSQKOH-LLVKDONJSA-N 2 2 313.426 3.254 20 0 DGADLP COc1cc2c(cc1Cl)C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000566425050 315344869 /nfs/dbraw/zinc/34/48/69/315344869.db2.gz RKRCUZKFIDQTIM-UHFFFAOYSA-N 2 2 319.836 3.073 20 0 DGADLP COc1cc2c(cc1Cl)C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000566425050 315344871 /nfs/dbraw/zinc/34/48/71/315344871.db2.gz RKRCUZKFIDQTIM-UHFFFAOYSA-N 2 2 319.836 3.073 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)n1C ZINC000566496994 315353333 /nfs/dbraw/zinc/35/33/33/315353333.db2.gz QNYHXQJQOWYKPV-UHFFFAOYSA-N 2 2 307.800 3.342 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000566723698 315370041 /nfs/dbraw/zinc/37/00/41/315370041.db2.gz BFWLIUJIYOBUMZ-UHFFFAOYSA-N 2 2 321.468 3.325 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000567245941 315408028 /nfs/dbraw/zinc/40/80/28/315408028.db2.gz AZRLVBCQIXBOGN-KRWDZBQOSA-N 2 2 308.441 3.102 20 0 DGADLP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000567981168 315468076 /nfs/dbraw/zinc/46/80/76/315468076.db2.gz RAVGENWOZYEENP-DLBZAZTESA-N 2 2 308.853 3.071 20 0 DGADLP CC(C)c1[nH+]c(CN[C@H]2C[C@@H](C)n3cc[nH+]c32)c2ccccn21 ZINC000568522402 315518117 /nfs/dbraw/zinc/51/81/17/315518117.db2.gz TXERLMKPVISEAV-KGLIPLIRSA-N 2 2 309.417 3.450 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000569446061 315581477 /nfs/dbraw/zinc/58/14/77/315581477.db2.gz RRMBJFQFOXASAO-UHFFFAOYSA-N 2 2 323.440 3.317 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000571537125 315728414 /nfs/dbraw/zinc/72/84/14/315728414.db2.gz CSWHVGRHKDUWGL-IAGOWNOFSA-N 2 2 317.477 3.114 20 0 DGADLP CCC(O)(CC)C(C)(C)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000572015581 315761094 /nfs/dbraw/zinc/76/10/94/315761094.db2.gz MZRZNBCRNYGHIF-UHFFFAOYSA-N 2 2 303.450 3.310 20 0 DGADLP Cc1cccc2c1cc[nH+]c2NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000572151103 315771365 /nfs/dbraw/zinc/77/13/65/315771365.db2.gz GGIHZOJPRQHMMZ-INIZCTEOSA-N 2 2 313.445 3.048 20 0 DGADLP CC[C@@H]([NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1)C1CCOCC1 ZINC000573228012 315849728 /nfs/dbraw/zinc/84/97/28/315849728.db2.gz NPCQQFSCDYTSRQ-RTBURBONSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCC2 ZINC000573472807 315870946 /nfs/dbraw/zinc/87/09/46/315870946.db2.gz JTLNAJUYICWXAC-GFCCVEGCSA-N 2 2 305.491 3.157 20 0 DGADLP CC[NH+](CC)[C@@H](CNCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000573935705 315916467 /nfs/dbraw/zinc/91/64/67/315916467.db2.gz NMKFMPLBNBCNJT-KRWDZBQOSA-N 2 2 300.450 3.199 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)n1-c1ccccc1 ZINC000575181891 316040728 /nfs/dbraw/zinc/04/07/28/316040728.db2.gz JLNDWJBBVBIXJM-OAHLLOKOSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)n1-c1ccccc1 ZINC000575181891 316040730 /nfs/dbraw/zinc/04/07/30/316040730.db2.gz JLNDWJBBVBIXJM-OAHLLOKOSA-N 2 2 311.429 3.324 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000575889307 316073196 /nfs/dbraw/zinc/07/31/96/316073196.db2.gz BAFIUOXXTAFVLM-UHFFFAOYSA-N 2 2 320.440 3.179 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H](C)O1 ZINC000576192310 316104005 /nfs/dbraw/zinc/10/40/05/316104005.db2.gz HTCHTSHYHMAYDE-AGGWBTHJSA-N 2 2 303.381 3.057 20 0 DGADLP CC(C)O[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000576290073 316115358 /nfs/dbraw/zinc/11/53/58/316115358.db2.gz YCGVMXLGGVNDCE-OTWHNJEPSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000576290073 316115362 /nfs/dbraw/zinc/11/53/62/316115362.db2.gz YCGVMXLGGVNDCE-OTWHNJEPSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC000576290073 316115366 /nfs/dbraw/zinc/11/53/66/316115366.db2.gz YCGVMXLGGVNDCE-OTWHNJEPSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000576290073 316115369 /nfs/dbraw/zinc/11/53/69/316115369.db2.gz YCGVMXLGGVNDCE-OTWHNJEPSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000576695508 316157374 /nfs/dbraw/zinc/15/73/74/316157374.db2.gz CBFLVGSVZOANOG-DYVFJYSZSA-N 2 2 315.461 3.000 20 0 DGADLP Cn1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000576695608 316157549 /nfs/dbraw/zinc/15/75/49/316157549.db2.gz QYPFNYMPMNLKME-HLLBOEOZSA-N 2 2 318.852 3.022 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000576743529 316163042 /nfs/dbraw/zinc/16/30/42/316163042.db2.gz BZRWEMWZTLRWBR-UHFFFAOYSA-N 2 2 312.461 3.178 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000577227102 316215570 /nfs/dbraw/zinc/21/55/70/316215570.db2.gz IYMLWJLUIOROPE-NSISKUIASA-N 2 2 322.452 3.415 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000577227102 316215574 /nfs/dbraw/zinc/21/55/74/316215574.db2.gz IYMLWJLUIOROPE-NSISKUIASA-N 2 2 322.452 3.415 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000577227101 316215614 /nfs/dbraw/zinc/21/56/14/316215614.db2.gz IYMLWJLUIOROPE-LSTHTHJFSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000577227101 316215617 /nfs/dbraw/zinc/21/56/17/316215617.db2.gz IYMLWJLUIOROPE-LSTHTHJFSA-N 2 2 322.452 3.415 20 0 DGADLP CC(C)C[C@H](C)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000577918364 316284010 /nfs/dbraw/zinc/28/40/10/316284010.db2.gz QMVDJJXFGIBEFO-KRWDZBQOSA-N 2 2 304.478 3.291 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C12CCCC2 ZINC000181457098 323254631 /nfs/dbraw/zinc/25/46/31/323254631.db2.gz GCYHWWOJRNVPHQ-SJORKVTESA-N 2 2 313.445 3.204 20 0 DGADLP Cc1ccc2[nH+]cc(CN(CCC[NH3+])c3cccc(F)c3)n2c1 ZINC000183220826 323330134 /nfs/dbraw/zinc/33/01/34/323330134.db2.gz LVNZCLTZGCNDNY-UHFFFAOYSA-N 2 2 312.392 3.137 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](c1[nH+]ccn1C)C1CC1)CC(C)C ZINC000183243284 323330426 /nfs/dbraw/zinc/33/04/26/323330426.db2.gz GGFGQVTVLXQINE-IRXDYDNUSA-N 2 2 306.498 3.217 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695991 323392788 /nfs/dbraw/zinc/39/27/88/323392788.db2.gz VBIZJWADLGQJFS-HOTGVXAUSA-N 2 2 304.482 3.207 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695991 323392793 /nfs/dbraw/zinc/39/27/93/323392793.db2.gz VBIZJWADLGQJFS-HOTGVXAUSA-N 2 2 304.482 3.207 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000378876836 323606208 /nfs/dbraw/zinc/60/62/08/323606208.db2.gz BEEQOCIYRZAVKI-NBMJBFSESA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000578314014 323716092 /nfs/dbraw/zinc/71/60/92/323716092.db2.gz QMXWBUJYEOEZGU-INIZCTEOSA-N 2 2 320.868 3.141 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578314288 323716256 /nfs/dbraw/zinc/71/62/56/323716256.db2.gz HEROELJAYAJTTO-HRCADAONSA-N 2 2 318.852 3.022 20 0 DGADLP Cc1ccc2cc[nH+]c(NC[C@@]3([NH+](C)C)CCSC3)c2c1 ZINC000580558085 324012396 /nfs/dbraw/zinc/01/23/96/324012396.db2.gz RTLBFNJTAGHXLD-KRWDZBQOSA-N 2 2 301.459 3.392 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ncccc2O)CC1 ZINC000580678469 324025556 /nfs/dbraw/zinc/02/55/56/324025556.db2.gz ZGRIFXVFZVFIKU-UHFFFAOYSA-N 2 2 322.412 3.282 20 0 DGADLP Cc1cccn2c(C[NH2+]CC(C)(C)c3ncccc3C)c[nH+]c12 ZINC000581018220 324064868 /nfs/dbraw/zinc/06/48/68/324064868.db2.gz VMXJEHOJVGSCFF-UHFFFAOYSA-N 2 2 308.429 3.414 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000581110167 324075469 /nfs/dbraw/zinc/07/54/69/324075469.db2.gz WHLBWNFXIYWDKA-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000581110167 324075472 /nfs/dbraw/zinc/07/54/72/324075472.db2.gz WHLBWNFXIYWDKA-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccn1 ZINC000581141985 324079711 /nfs/dbraw/zinc/07/97/11/324079711.db2.gz HVUJJFNYHBLNBE-HNNXBMFYSA-N 2 2 322.412 3.186 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000581201691 324087940 /nfs/dbraw/zinc/08/79/40/324087940.db2.gz FAZGBGGWABOVHS-UHFFFAOYSA-N 2 2 311.223 3.237 20 0 DGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581227740 324091070 /nfs/dbraw/zinc/09/10/70/324091070.db2.gz BKUVWBYMEYFCQM-LBPRGKRZSA-N 2 2 324.350 3.312 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000581243553 324094580 /nfs/dbraw/zinc/09/45/80/324094580.db2.gz MBVBIOLVLMRRJV-QZTJIDSGSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000581243553 324094585 /nfs/dbraw/zinc/09/45/85/324094585.db2.gz MBVBIOLVLMRRJV-QZTJIDSGSA-N 2 2 311.429 3.047 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000581291076 324100088 /nfs/dbraw/zinc/10/00/88/324100088.db2.gz YGWOEXFCZOSVQE-UHFFFAOYSA-N 2 2 307.438 3.333 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000581291076 324100091 /nfs/dbraw/zinc/10/00/91/324100091.db2.gz YGWOEXFCZOSVQE-UHFFFAOYSA-N 2 2 307.438 3.333 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000581753194 324153007 /nfs/dbraw/zinc/15/30/07/324153007.db2.gz NLOSPSSFPIHBAZ-DNVCBOLYSA-N 2 2 304.478 3.490 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000581951804 324172094 /nfs/dbraw/zinc/17/20/94/324172094.db2.gz NSMHBNVZDJNSPY-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000581951804 324172096 /nfs/dbraw/zinc/17/20/96/324172096.db2.gz NSMHBNVZDJNSPY-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000582056652 324184126 /nfs/dbraw/zinc/18/41/26/324184126.db2.gz PKENGBWVKVRPGA-HOTGVXAUSA-N 3 2 318.852 3.275 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000582056652 324184130 /nfs/dbraw/zinc/18/41/30/324184130.db2.gz PKENGBWVKVRPGA-HOTGVXAUSA-N 2 2 318.852 3.275 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000583561823 324370363 /nfs/dbraw/zinc/37/03/63/324370363.db2.gz PZOUCENCEMNGPL-UHFFFAOYSA-N 2 2 313.323 3.464 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1sccc1Br ZINC000037249486 337362430 /nfs/dbraw/zinc/36/24/30/337362430.db2.gz BKDKSLNROKHDCM-JTQLQIEISA-N 2 2 314.252 3.448 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000651866338 500609349 /nfs/dbraw/zinc/60/93/49/500609349.db2.gz AGQWNABYIXALSE-UHFFFAOYSA-N 2 2 301.434 3.409 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000651866338 500609352 /nfs/dbraw/zinc/60/93/52/500609352.db2.gz AGQWNABYIXALSE-UHFFFAOYSA-N 2 2 301.434 3.409 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000414943230 500672965 /nfs/dbraw/zinc/67/29/65/500672965.db2.gz CSAXOQRDJAVMSR-HKUYNNGSSA-N 2 2 312.844 3.284 20 0 DGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435387220 533789438 /nfs/dbraw/zinc/78/94/38/533789438.db2.gz YKCXNKUSCCRYBZ-NSHDSACASA-N 2 2 301.415 3.335 20 0 DGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435387220 533789447 /nfs/dbraw/zinc/78/94/47/533789447.db2.gz YKCXNKUSCCRYBZ-NSHDSACASA-N 2 2 301.415 3.335 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N(C)CC1CC[NH+](C)CC1 ZINC000302604112 533908354 /nfs/dbraw/zinc/90/83/54/533908354.db2.gz CSDXDONGKJUGPB-UHFFFAOYSA-N 2 2 313.445 3.330 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000422749894 534067394 /nfs/dbraw/zinc/06/73/94/534067394.db2.gz BKBLJMRFTXAHHW-MSOLQXFVSA-N 3 2 307.526 3.153 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026696 534133878 /nfs/dbraw/zinc/13/38/78/534133878.db2.gz UQJWKQIGJQNQSJ-MLYOOKFZSA-N 3 2 315.505 3.177 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026696 534133885 /nfs/dbraw/zinc/13/38/85/534133885.db2.gz UQJWKQIGJQNQSJ-MLYOOKFZSA-N 3 2 315.505 3.177 20 0 DGADLP Fc1ccc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)sc2c1 ZINC000432744526 534509298 /nfs/dbraw/zinc/50/92/98/534509298.db2.gz JXZVNEGFCAQAIU-UHFFFAOYSA-N 2 2 316.405 3.469 20 0 DGADLP [NH3+]C1(C[NH2+]C2CCCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126822 534547410 /nfs/dbraw/zinc/54/74/10/534547410.db2.gz GZGZVGKUNUYVAM-UHFFFAOYSA-N 3 2 315.505 3.292 20 0 DGADLP Cc1nc(NC2CC[NH+](C3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000302077484 534622971 /nfs/dbraw/zinc/62/29/71/534622971.db2.gz HPRZUQZNKNIBDB-UHFFFAOYSA-N 2 2 314.477 3.483 20 0 DGADLP Fc1ccc(OCCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309089 526357323 /nfs/dbraw/zinc/35/73/23/526357323.db2.gz UDGLLDMDHWFXQK-SFHVURJKSA-N 2 2 316.376 3.143 20 0 DGADLP Fc1ccc(OCCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309089 526357327 /nfs/dbraw/zinc/35/73/27/526357327.db2.gz UDGLLDMDHWFXQK-SFHVURJKSA-N 2 2 316.376 3.143 20 0 DGADLP Fc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157433026 526415390 /nfs/dbraw/zinc/41/53/90/526415390.db2.gz LUBLQTLWHSGITR-INIZCTEOSA-N 2 2 306.425 3.155 20 0 DGADLP Fc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157433026 526415395 /nfs/dbraw/zinc/41/53/95/526415395.db2.gz LUBLQTLWHSGITR-INIZCTEOSA-N 2 2 306.425 3.155 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420358467 526696323 /nfs/dbraw/zinc/69/63/23/526696323.db2.gz IVEWLZIOBUSGLU-ZDUSSCGKSA-N 2 2 304.356 3.091 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000295143130 527277044 /nfs/dbraw/zinc/27/70/44/527277044.db2.gz ZUCXHPZLMPXWII-GOSISDBHSA-N 2 2 300.446 3.197 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000295143130 527277050 /nfs/dbraw/zinc/27/70/50/527277050.db2.gz ZUCXHPZLMPXWII-GOSISDBHSA-N 2 2 300.446 3.197 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912705 527277640 /nfs/dbraw/zinc/27/76/40/527277640.db2.gz ILFDPGDSGHUCGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912705 527277647 /nfs/dbraw/zinc/27/76/47/527277647.db2.gz ILFDPGDSGHUCGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000294912705 527277653 /nfs/dbraw/zinc/27/76/53/527277653.db2.gz ILFDPGDSGHUCGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000294912705 527277662 /nfs/dbraw/zinc/27/76/62/527277662.db2.gz ILFDPGDSGHUCGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000090402838 527308391 /nfs/dbraw/zinc/30/83/91/527308391.db2.gz LIPMZJWKWJVQDA-LBPRGKRZSA-N 2 2 302.447 3.166 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000294924093 527354428 /nfs/dbraw/zinc/35/44/28/527354428.db2.gz IPZBAYCVARVBCJ-SFHVURJKSA-N 2 2 300.446 3.197 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000294924093 527354437 /nfs/dbraw/zinc/35/44/37/527354437.db2.gz IPZBAYCVARVBCJ-SFHVURJKSA-N 2 2 300.446 3.197 20 0 DGADLP CC(C)CC[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415123958 527805561 /nfs/dbraw/zinc/80/55/61/527805561.db2.gz BPFNFIPNBWEMTE-GOSISDBHSA-N 3 2 317.521 3.394 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)n2)cc1 ZINC000430602033 528054324 /nfs/dbraw/zinc/05/43/24/528054324.db2.gz GDFKLNZXPNJPHK-AWEZNQCLSA-N 2 2 314.433 3.031 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C[NH3+])C3)n2)cc1 ZINC000430602033 528054328 /nfs/dbraw/zinc/05/43/28/528054328.db2.gz GDFKLNZXPNJPHK-AWEZNQCLSA-N 2 2 314.433 3.031 20 0 DGADLP CC(C)c1nc(N(C)C[C@@H]2CC[N@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434074878 528290090 /nfs/dbraw/zinc/29/00/90/528290090.db2.gz JXEICFQCTACXTB-CQSZACIVSA-N 2 2 304.482 3.285 20 0 DGADLP CC(C)c1nc(N(C)C[C@@H]2CC[N@@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434074878 528290101 /nfs/dbraw/zinc/29/01/01/528290101.db2.gz JXEICFQCTACXTB-CQSZACIVSA-N 2 2 304.482 3.285 20 0 DGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCCn1cc[nH+]c1 ZINC000302125728 528309499 /nfs/dbraw/zinc/30/94/99/528309499.db2.gz IFJOJMJVSOGXPX-UHFFFAOYSA-N 2 2 324.384 3.029 20 0 DGADLP CC[NH2+]Cc1cccc(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000415927372 528345277 /nfs/dbraw/zinc/34/52/77/528345277.db2.gz CWYLJFHVFJUNRA-UHFFFAOYSA-N 2 2 312.417 3.130 20 0 DGADLP CC(C)c1ncc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000331811103 528351202 /nfs/dbraw/zinc/35/12/02/528351202.db2.gz ZDMSZIHHEQYPBF-DOMZBBRYSA-N 2 2 320.462 3.010 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415070887 528389062 /nfs/dbraw/zinc/38/90/62/528389062.db2.gz RLFMSWIIFDIBKY-QGZVFWFLSA-N 2 2 312.461 3.227 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000316633828 528407751 /nfs/dbraw/zinc/40/77/51/528407751.db2.gz NOFIBMDKNVWGOG-KRWDZBQOSA-N 2 2 306.450 3.093 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000316633828 528407756 /nfs/dbraw/zinc/40/77/56/528407756.db2.gz NOFIBMDKNVWGOG-KRWDZBQOSA-N 2 2 306.450 3.093 20 0 DGADLP CC(C)C[C@H](C)C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415133691 528459713 /nfs/dbraw/zinc/45/97/13/528459713.db2.gz NLWOECVQQBXKFZ-SFHVURJKSA-N 3 2 317.521 3.252 20 0 DGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1Br ZINC000297629638 528598934 /nfs/dbraw/zinc/59/89/34/528598934.db2.gz HQLPKGXDWWUOTO-UHFFFAOYSA-N 2 2 322.250 3.247 20 0 DGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1Br ZINC000297629638 528598936 /nfs/dbraw/zinc/59/89/36/528598936.db2.gz HQLPKGXDWWUOTO-UHFFFAOYSA-N 2 2 322.250 3.247 20 0 DGADLP CCC(CC)C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415137514 528762486 /nfs/dbraw/zinc/76/24/86/528762486.db2.gz UFKXURJTYBBPCY-UHFFFAOYSA-N 3 2 303.494 3.006 20 0 DGADLP CC[N@H+](Cc1coc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435625979 528880015 /nfs/dbraw/zinc/88/00/15/528880015.db2.gz JHNHFPCCZSRCOV-AWEZNQCLSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1coc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435625979 528880022 /nfs/dbraw/zinc/88/00/22/528880022.db2.gz JHNHFPCCZSRCOV-AWEZNQCLSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@H+](Cc1csc(-c2ccccn2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435391784 528880829 /nfs/dbraw/zinc/88/08/29/528880829.db2.gz UGGLFCIZEYLIHL-HNNXBMFYSA-N 2 2 316.474 3.169 20 0 DGADLP CC[N@@H+](Cc1csc(-c2ccccn2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435391784 528880834 /nfs/dbraw/zinc/88/08/34/528880834.db2.gz UGGLFCIZEYLIHL-HNNXBMFYSA-N 2 2 316.474 3.169 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000423294926 528951641 /nfs/dbraw/zinc/95/16/41/528951641.db2.gz VQLOZWWMSUFKIL-ZDUSSCGKSA-N 2 2 302.821 3.274 20 0 DGADLP CC(C)[NH+]1CCC(N(C)c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431038857 528990900 /nfs/dbraw/zinc/99/09/00/528990900.db2.gz FPEKSCMHXDCTST-UHFFFAOYSA-N 2 2 304.413 3.021 20 0 DGADLP CC1(C)CC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415139891 529047778 /nfs/dbraw/zinc/04/77/78/529047778.db2.gz XLVRAIJAFORMJC-SFHVURJKSA-N 3 2 315.505 3.148 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CC34CCCC4)sc2C1 ZINC000428534501 529084085 /nfs/dbraw/zinc/08/40/85/529084085.db2.gz IOQBVQLQZUAPKE-OAHLLOKOSA-N 2 2 305.491 3.332 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CC34CCCC4)sc2C1 ZINC000428534501 529084091 /nfs/dbraw/zinc/08/40/91/529084091.db2.gz IOQBVQLQZUAPKE-OAHLLOKOSA-N 2 2 305.491 3.332 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488454683 535264122 /nfs/dbraw/zinc/26/41/22/535264122.db2.gz DQJIGOUPXZVWNW-DOTOQJQBSA-N 2 2 301.459 3.492 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459419847 535505866 /nfs/dbraw/zinc/50/58/66/535505866.db2.gz XLTRYJBOIPWXLF-OWLYRPNTSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459419847 535505867 /nfs/dbraw/zinc/50/58/67/535505867.db2.gz XLTRYJBOIPWXLF-OWLYRPNTSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451527412 535631254 /nfs/dbraw/zinc/63/12/54/535631254.db2.gz HKQMBJKPTWYBCO-APWZRJJASA-N 2 2 313.445 3.428 20 0 DGADLP CCO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451527412 535631257 /nfs/dbraw/zinc/63/12/57/535631257.db2.gz HKQMBJKPTWYBCO-APWZRJJASA-N 2 2 313.445 3.428 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000469321175 535768895 /nfs/dbraw/zinc/76/88/95/535768895.db2.gz XBOUTADHAPWNIO-XDNAFOTISA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000469321175 535768897 /nfs/dbraw/zinc/76/88/97/535768897.db2.gz XBOUTADHAPWNIO-XDNAFOTISA-N 3 2 309.542 3.063 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000469321175 535768901 /nfs/dbraw/zinc/76/89/01/535768901.db2.gz XBOUTADHAPWNIO-XDNAFOTISA-N 3 2 309.542 3.063 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000469321175 535768905 /nfs/dbraw/zinc/76/89/05/535768905.db2.gz XBOUTADHAPWNIO-XDNAFOTISA-N 3 2 309.542 3.063 20 0 DGADLP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449637763 535815159 /nfs/dbraw/zinc/81/51/59/535815159.db2.gz HTCNUDDDKMFESC-QZTJIDSGSA-N 2 2 324.896 3.444 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449635312 536011015 /nfs/dbraw/zinc/01/10/15/536011015.db2.gz BODPVWJHRVZMJY-NQYYFHDYSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449635312 536011019 /nfs/dbraw/zinc/01/10/19/536011019.db2.gz BODPVWJHRVZMJY-NQYYFHDYSA-N 2 2 304.478 3.036 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NC3CC4(CCC4)C3)[nH+]c2)CC1 ZINC000459454378 536115221 /nfs/dbraw/zinc/11/52/21/536115221.db2.gz XXDLKPAMPJLMSL-UHFFFAOYSA-N 2 2 314.477 3.357 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000449187023 536835023 /nfs/dbraw/zinc/83/50/23/536835023.db2.gz DCDCIQQLODLMJY-WQUXRXDGSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449187023 536835030 /nfs/dbraw/zinc/83/50/30/536835030.db2.gz DCDCIQQLODLMJY-WQUXRXDGSA-N 2 2 316.489 3.444 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000449223235 536894005 /nfs/dbraw/zinc/89/40/05/536894005.db2.gz FMICYTOWRMXRTL-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000449223235 536894006 /nfs/dbraw/zinc/89/40/06/536894006.db2.gz FMICYTOWRMXRTL-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000449223235 536894008 /nfs/dbraw/zinc/89/40/08/536894008.db2.gz FMICYTOWRMXRTL-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000449223235 536894011 /nfs/dbraw/zinc/89/40/11/536894011.db2.gz FMICYTOWRMXRTL-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000449223237 536894092 /nfs/dbraw/zinc/89/40/92/536894092.db2.gz FMICYTOWRMXRTL-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000449223237 536894094 /nfs/dbraw/zinc/89/40/94/536894094.db2.gz FMICYTOWRMXRTL-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000449223237 536894096 /nfs/dbraw/zinc/89/40/96/536894096.db2.gz FMICYTOWRMXRTL-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000449223237 536894100 /nfs/dbraw/zinc/89/41/00/536894100.db2.gz FMICYTOWRMXRTL-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP CC[N@H+](Cc1ccccc1Br)C[C@H]1CCC[NH2+]C1 ZINC000233497398 546277525 /nfs/dbraw/zinc/27/75/25/546277525.db2.gz XMMRQAQNBOKTON-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000089512887 545816051 /nfs/dbraw/zinc/81/60/51/545816051.db2.gz KTXDLYBJNHUMNZ-INIZCTEOSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000150911222 545988926 /nfs/dbraw/zinc/98/89/26/545988926.db2.gz NCKFFJFVQWHBMX-RDJZCZTQSA-N 3 2 321.534 3.205 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157717673 546042614 /nfs/dbraw/zinc/04/26/14/546042614.db2.gz UCAINBPOGUAZQZ-HNAYVOBHSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157717673 546042617 /nfs/dbraw/zinc/04/26/17/546042617.db2.gz UCAINBPOGUAZQZ-HNAYVOBHSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000157717673 546042622 /nfs/dbraw/zinc/04/26/22/546042622.db2.gz UCAINBPOGUAZQZ-HNAYVOBHSA-N 2 2 324.472 3.316 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690529 546042782 /nfs/dbraw/zinc/04/27/82/546042782.db2.gz MYMAJLJJRNDHEH-SJORKVTESA-N 2 2 318.461 3.229 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690529 546042786 /nfs/dbraw/zinc/04/27/86/546042786.db2.gz MYMAJLJJRNDHEH-SJORKVTESA-N 2 2 318.461 3.229 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000163728787 546084230 /nfs/dbraw/zinc/08/42/30/546084230.db2.gz WSMIKLODSHSYDO-INIZCTEOSA-N 2 2 316.489 3.327 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000163753802 546084468 /nfs/dbraw/zinc/08/44/68/546084468.db2.gz FJRYOMPMIGHPTM-IBGZPJMESA-N 2 2 302.462 3.043 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163767839 546084676 /nfs/dbraw/zinc/08/46/76/546084676.db2.gz ASBYYGQYGNVDAP-FZMZJTMJSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163767839 546084683 /nfs/dbraw/zinc/08/46/83/546084683.db2.gz ASBYYGQYGNVDAP-FZMZJTMJSA-N 2 2 304.331 3.404 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](Cc2ccc(C)cc2)C(C)C)CC1 ZINC000163737259 546085101 /nfs/dbraw/zinc/08/51/01/546085101.db2.gz ZEOYETGUUZPSOS-HXUWFJFHSA-N 2 2 318.505 3.263 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000179961333 546140038 /nfs/dbraw/zinc/14/00/38/546140038.db2.gz WVESWIQYIKJZKP-SWLSCSKDSA-N 2 2 304.463 3.267 20 0 DGADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000180113197 546141477 /nfs/dbraw/zinc/14/14/77/546141477.db2.gz HEZWLOABRIOADP-AWEZNQCLSA-N 2 2 300.450 3.409 20 0 DGADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000180113197 546141483 /nfs/dbraw/zinc/14/14/83/546141483.db2.gz HEZWLOABRIOADP-AWEZNQCLSA-N 2 2 300.450 3.409 20 0 DGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000180031491 546141743 /nfs/dbraw/zinc/14/17/43/546141743.db2.gz ZTUQVCVGLPMSJW-QGZVFWFLSA-N 2 2 318.509 3.071 20 0 DGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000180031491 546141746 /nfs/dbraw/zinc/14/17/46/546141746.db2.gz ZTUQVCVGLPMSJW-QGZVFWFLSA-N 2 2 318.509 3.071 20 0 DGADLP CC(C)(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180031718 546141877 /nfs/dbraw/zinc/14/18/77/546141877.db2.gz HDZNWQWHQADWBW-GOSISDBHSA-N 2 2 316.489 3.008 20 0 DGADLP CC(C)(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180031718 546141879 /nfs/dbraw/zinc/14/18/79/546141879.db2.gz HDZNWQWHQADWBW-GOSISDBHSA-N 2 2 316.489 3.008 20 0 DGADLP CC[N@@H+](Cc1ccccc1Br)C[C@H]1CCC[NH2+]C1 ZINC000233497398 546277522 /nfs/dbraw/zinc/27/75/22/546277522.db2.gz XMMRQAQNBOKTON-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245943151 546301127 /nfs/dbraw/zinc/30/11/27/546301127.db2.gz KBTCKIIHEIYBEO-RLFYNMQTSA-N 2 2 312.461 3.422 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245943151 546301130 /nfs/dbraw/zinc/30/11/30/546301130.db2.gz KBTCKIIHEIYBEO-RLFYNMQTSA-N 2 2 312.461 3.422 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC000280177882 546380813 /nfs/dbraw/zinc/38/08/13/546380813.db2.gz RNFAXCAWIWATLO-IAOVAPTHSA-N 2 2 318.461 3.009 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)CC2 ZINC000280177882 546380816 /nfs/dbraw/zinc/38/08/16/546380816.db2.gz RNFAXCAWIWATLO-IAOVAPTHSA-N 2 2 318.461 3.009 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000280603160 546382794 /nfs/dbraw/zinc/38/27/94/546382794.db2.gz OFFWXASWALOHBW-PXNSSMCTSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000280603160 546382796 /nfs/dbraw/zinc/38/27/96/546382796.db2.gz OFFWXASWALOHBW-PXNSSMCTSA-N 2 2 309.457 3.185 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1[nH]cc[nH+]1)c1cccc(OC)c1 ZINC000285712558 546398946 /nfs/dbraw/zinc/39/89/46/546398946.db2.gz PPWVMSNSXIGLNO-PBHICJAKSA-N 2 2 316.449 3.152 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1[nH]cc[nH+]1)c1cccc(OC)c1 ZINC000285712566 546398978 /nfs/dbraw/zinc/39/89/78/546398978.db2.gz PPWVMSNSXIGLNO-WMLDXEAASA-N 2 2 316.449 3.152 20 0 DGADLP Brc1cscc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285604666 546399094 /nfs/dbraw/zinc/39/90/94/546399094.db2.gz YKNWANACBAWRLE-JTQLQIEISA-N 2 2 315.280 3.085 20 0 DGADLP Brc1cscc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000285604666 546399098 /nfs/dbraw/zinc/39/90/98/546399098.db2.gz YKNWANACBAWRLE-JTQLQIEISA-N 2 2 315.280 3.085 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352760146 546654670 /nfs/dbraw/zinc/65/46/70/546654670.db2.gz NZOBVRWBBLXJCJ-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352760146 546654675 /nfs/dbraw/zinc/65/46/75/546654675.db2.gz NZOBVRWBBLXJCJ-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000352751726 546655020 /nfs/dbraw/zinc/65/50/20/546655020.db2.gz WLLCRHMCZAOYLD-VXGBXAGGSA-N 2 2 317.296 3.473 20 0 DGADLP CCc1cc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000359712117 546711640 /nfs/dbraw/zinc/71/16/40/546711640.db2.gz CAPWZNXBWPQQCM-ZQIUZPCESA-N 2 2 302.466 3.189 20 0 DGADLP Cc1cc(Br)c(C[N@H+](C)CCC[NH3+])cc1Cl ZINC000381983891 546740568 /nfs/dbraw/zinc/74/05/68/546740568.db2.gz KKUIBSSHRIBQMZ-UHFFFAOYSA-N 2 2 305.647 3.192 20 0 DGADLP Cc1cc(Br)c(C[N@@H+](C)CCC[NH3+])cc1Cl ZINC000381983891 546740575 /nfs/dbraw/zinc/74/05/75/546740575.db2.gz KKUIBSSHRIBQMZ-UHFFFAOYSA-N 2 2 305.647 3.192 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000390776614 546756085 /nfs/dbraw/zinc/75/60/85/546756085.db2.gz NJSYVQAEKGRYTN-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390776614 546756090 /nfs/dbraw/zinc/75/60/90/546756090.db2.gz NJSYVQAEKGRYTN-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP COC[C@@]1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CCC[NH2+]1 ZINC000414946776 546790537 /nfs/dbraw/zinc/79/05/37/546790537.db2.gz SWMYAGVWUNYTJK-FQEVSTJZSA-N 2 2 310.441 3.212 20 0 DGADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856404 546812142 /nfs/dbraw/zinc/81/21/42/546812142.db2.gz WCZLCBNAQVMVOW-RISCZKNCSA-N 2 2 303.406 3.164 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2nccn21 ZINC000453344668 546860183 /nfs/dbraw/zinc/86/01/83/546860183.db2.gz JBRZRJQXUOCFSQ-LAVFITLUSA-N 2 2 310.445 3.314 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2nccn21 ZINC000453344668 546860190 /nfs/dbraw/zinc/86/01/90/546860190.db2.gz JBRZRJQXUOCFSQ-LAVFITLUSA-N 2 2 310.445 3.314 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459441940 546892027 /nfs/dbraw/zinc/89/20/27/546892027.db2.gz IODLGVFAPHNZKO-IBGZPJMESA-N 2 2 322.456 3.108 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459441940 546892031 /nfs/dbraw/zinc/89/20/31/546892031.db2.gz IODLGVFAPHNZKO-IBGZPJMESA-N 2 2 322.456 3.108 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000494501057 546935293 /nfs/dbraw/zinc/93/52/93/546935293.db2.gz GSODZYDDWPBNMX-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000494501057 546935296 /nfs/dbraw/zinc/93/52/96/546935296.db2.gz GSODZYDDWPBNMX-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643061706 547064401 /nfs/dbraw/zinc/06/44/01/547064401.db2.gz JZPCFINCOUBKAV-ROUUACIJSA-N 2 2 320.502 3.394 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643061706 547064405 /nfs/dbraw/zinc/06/44/05/547064405.db2.gz JZPCFINCOUBKAV-ROUUACIJSA-N 2 2 320.502 3.394 20 0 DGADLP Cc1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497450 547202274 /nfs/dbraw/zinc/20/22/74/547202274.db2.gz BQCNPIGTPCVIII-UHFFFAOYSA-N 2 2 308.385 3.333 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)o1 ZINC000667497450 547202277 /nfs/dbraw/zinc/20/22/77/547202277.db2.gz BQCNPIGTPCVIII-UHFFFAOYSA-N 2 2 308.385 3.333 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc4ccncc4s3)CC2)c1 ZINC000667532665 547212944 /nfs/dbraw/zinc/21/29/44/547212944.db2.gz UXWDERBPXUFUOG-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP CC(C)(C)OC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667552542 547222896 /nfs/dbraw/zinc/22/28/96/547222896.db2.gz KFHXBRVAZJUUGA-UHFFFAOYSA-N 2 2 314.433 3.047 20 0 DGADLP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668640 547267267 /nfs/dbraw/zinc/26/72/67/547267267.db2.gz VBUNQQZINYSGHC-HNNXBMFYSA-N 2 2 304.397 3.214 20 0 DGADLP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668640 547267272 /nfs/dbraw/zinc/26/72/72/547267272.db2.gz VBUNQQZINYSGHC-HNNXBMFYSA-N 2 2 304.397 3.214 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccncc2s1 ZINC000667694866 547277278 /nfs/dbraw/zinc/27/72/78/547277278.db2.gz AXYMMOJGYOXPBQ-CABCVRRESA-N 2 2 301.459 3.355 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccncc2s1 ZINC000667694866 547277280 /nfs/dbraw/zinc/27/72/80/547277280.db2.gz AXYMMOJGYOXPBQ-CABCVRRESA-N 2 2 301.459 3.355 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccncc2s1 ZINC000667694866 547277281 /nfs/dbraw/zinc/27/72/81/547277281.db2.gz AXYMMOJGYOXPBQ-CABCVRRESA-N 2 2 301.459 3.355 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccncc2s1 ZINC000667694866 547277283 /nfs/dbraw/zinc/27/72/83/547277283.db2.gz AXYMMOJGYOXPBQ-CABCVRRESA-N 2 2 301.459 3.355 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000667779223 547299224 /nfs/dbraw/zinc/29/92/24/547299224.db2.gz AURZXERCAQEQCE-HZPDHXFCSA-N 2 2 314.477 3.348 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000667863702 547323867 /nfs/dbraw/zinc/32/38/67/547323867.db2.gz DKIDFGRMDJHVRX-WBAXXEDZSA-N 2 2 302.462 3.273 20 0 DGADLP C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667965759 547350102 /nfs/dbraw/zinc/35/01/02/547350102.db2.gz QINANZIZGXREEK-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@H]1COc2ccccc2C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667965759 547350106 /nfs/dbraw/zinc/35/01/06/547350106.db2.gz QINANZIZGXREEK-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667969544 547350438 /nfs/dbraw/zinc/35/04/38/547350438.db2.gz MYLOSXOZGDIYJD-KDOFPFPSSA-N 2 2 311.429 3.421 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000668011397 547360344 /nfs/dbraw/zinc/36/03/44/547360344.db2.gz AATJSNUGTBJONN-SLFFLAALSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000668011397 547360348 /nfs/dbraw/zinc/36/03/48/547360348.db2.gz AATJSNUGTBJONN-SLFFLAALSA-N 2 2 314.473 3.198 20 0 DGADLP CCCn1nccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000668075602 547375917 /nfs/dbraw/zinc/37/59/17/547375917.db2.gz WCJVXKBMRDGJSZ-UHFFFAOYSA-N 2 2 314.433 3.040 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000668110546 547386945 /nfs/dbraw/zinc/38/69/45/547386945.db2.gz IWNJZYDXMPSHAZ-ZDUSSCGKSA-N 2 2 301.356 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000668110546 547386940 /nfs/dbraw/zinc/38/69/40/547386940.db2.gz IWNJZYDXMPSHAZ-ZDUSSCGKSA-N 2 2 301.356 3.283 20 0 DGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccccc1F ZINC000668157205 547397393 /nfs/dbraw/zinc/39/73/93/547397393.db2.gz KHQDGFFIKFTQHM-UHFFFAOYSA-N 2 2 318.440 3.167 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668200454 547413311 /nfs/dbraw/zinc/41/33/11/547413311.db2.gz YJLXTNCWKCVQBH-DYVFJYSZSA-N 2 2 317.820 3.183 20 0 DGADLP Cc1ccccc1CC1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668230311 547423419 /nfs/dbraw/zinc/42/34/19/547423419.db2.gz LZLIRNFMGRHGQE-UHFFFAOYSA-N 2 2 318.424 3.250 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683173 547508062 /nfs/dbraw/zinc/50/80/62/547508062.db2.gz SWCROTQGNBRKQB-GOEBONIOSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683173 547508065 /nfs/dbraw/zinc/50/80/65/547508065.db2.gz SWCROTQGNBRKQB-GOEBONIOSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000669418424 547636152 /nfs/dbraw/zinc/63/61/52/547636152.db2.gz WRKFPNHQAIYDJT-RBUKOAKNSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986370 547768043 /nfs/dbraw/zinc/76/80/43/547768043.db2.gz CXQAJOHWHVOJCJ-CVEARBPZSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986370 547768049 /nfs/dbraw/zinc/76/80/49/547768049.db2.gz CXQAJOHWHVOJCJ-CVEARBPZSA-N 2 2 306.425 3.073 20 0 DGADLP CC(C)CC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240101 547779216 /nfs/dbraw/zinc/77/92/16/547779216.db2.gz KDJDPHFIJYMYFQ-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)CC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240101 547779218 /nfs/dbraw/zinc/77/92/18/547779218.db2.gz KDJDPHFIJYMYFQ-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)CC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671240101 547779219 /nfs/dbraw/zinc/77/92/19/547779219.db2.gz KDJDPHFIJYMYFQ-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)CC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671240101 547779222 /nfs/dbraw/zinc/77/92/22/547779222.db2.gz KDJDPHFIJYMYFQ-IBGZPJMESA-N 2 2 304.478 3.255 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671296298 547784531 /nfs/dbraw/zinc/78/45/31/547784531.db2.gz VMKDHKKVAZPBIQ-SJFSSXKUSA-N 2 2 314.473 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671296298 547784536 /nfs/dbraw/zinc/78/45/36/547784536.db2.gz VMKDHKKVAZPBIQ-SJFSSXKUSA-N 2 2 314.473 3.261 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767803 547831192 /nfs/dbraw/zinc/83/11/92/547831192.db2.gz NEVUBVJSXJKTLS-DJIMGWMZSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767803 547831197 /nfs/dbraw/zinc/83/11/97/547831197.db2.gz NEVUBVJSXJKTLS-DJIMGWMZSA-N 2 2 304.503 3.381 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)cc(C)[nH+]1 ZINC000672229521 547866343 /nfs/dbraw/zinc/86/63/43/547866343.db2.gz IIBNRRPLMBCNRR-QGZVFWFLSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)cc(C)[nH+]1 ZINC000672229521 547866346 /nfs/dbraw/zinc/86/63/46/547866346.db2.gz IIBNRRPLMBCNRR-QGZVFWFLSA-N 2 2 324.472 3.448 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000672620860 547896393 /nfs/dbraw/zinc/89/63/93/547896393.db2.gz QJCFEZABOHBTQZ-XJKSGUPXSA-N 2 2 312.404 3.465 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048116 548027561 /nfs/dbraw/zinc/02/75/61/548027561.db2.gz ZYWHIUHNAINXFU-QMMLZNLJSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048116 548027564 /nfs/dbraw/zinc/02/75/64/548027564.db2.gz ZYWHIUHNAINXFU-QMMLZNLJSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048116 548027567 /nfs/dbraw/zinc/02/75/67/548027567.db2.gz ZYWHIUHNAINXFU-QMMLZNLJSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000674048116 548027570 /nfs/dbraw/zinc/02/75/70/548027570.db2.gz ZYWHIUHNAINXFU-QMMLZNLJSA-N 2 2 324.468 3.172 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000674233846 548047946 /nfs/dbraw/zinc/04/79/46/548047946.db2.gz QATWRMAKMMNUHE-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000674233846 548047953 /nfs/dbraw/zinc/04/79/53/548047953.db2.gz QATWRMAKMMNUHE-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000675766138 548266090 /nfs/dbraw/zinc/26/60/90/548266090.db2.gz WBLFTQOHENDAGO-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000675766138 548266094 /nfs/dbraw/zinc/26/60/94/548266094.db2.gz WBLFTQOHENDAGO-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767233 548267258 /nfs/dbraw/zinc/26/72/58/548267258.db2.gz RVUZNFILEQPXNL-HZSPNIEDSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767233 548267260 /nfs/dbraw/zinc/26/72/60/548267260.db2.gz RVUZNFILEQPXNL-HZSPNIEDSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768018 548267444 /nfs/dbraw/zinc/26/74/44/548267444.db2.gz VMQXIHUVQBIAQW-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768018 548267447 /nfs/dbraw/zinc/26/74/47/548267447.db2.gz VMQXIHUVQBIAQW-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787664 548271227 /nfs/dbraw/zinc/27/12/27/548271227.db2.gz FKOVBHZYBALARK-SGTLLEGYSA-N 2 2 317.864 3.436 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787664 548271229 /nfs/dbraw/zinc/27/12/29/548271229.db2.gz FKOVBHZYBALARK-SGTLLEGYSA-N 2 2 317.864 3.436 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675834185 548280642 /nfs/dbraw/zinc/28/06/42/548280642.db2.gz RLACUJZGJWOXSX-RBUKOAKNSA-N 2 2 304.453 3.467 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834185 548280644 /nfs/dbraw/zinc/28/06/44/548280644.db2.gz RLACUJZGJWOXSX-RBUKOAKNSA-N 2 2 304.453 3.467 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675834183 548280653 /nfs/dbraw/zinc/28/06/53/548280653.db2.gz RLACUJZGJWOXSX-MOPGFXCFSA-N 2 2 304.453 3.467 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834183 548280656 /nfs/dbraw/zinc/28/06/56/548280656.db2.gz RLACUJZGJWOXSX-MOPGFXCFSA-N 2 2 304.453 3.467 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(C)C)no2)[C@@H](C)C1 ZINC000675882181 548284407 /nfs/dbraw/zinc/28/44/07/548284407.db2.gz DACHBRJOCBEMPM-RDJZCZTQSA-N 2 2 323.481 3.025 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(C)C)no2)[C@@H](C)C1 ZINC000675882181 548284409 /nfs/dbraw/zinc/28/44/09/548284409.db2.gz DACHBRJOCBEMPM-RDJZCZTQSA-N 2 2 323.481 3.025 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923862 548292728 /nfs/dbraw/zinc/29/27/28/548292728.db2.gz UWEMJWVMKYJYPB-MSOLQXFVSA-N 2 2 315.461 3.499 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000675924495 548293274 /nfs/dbraw/zinc/29/32/74/548293274.db2.gz KEMXEVMINKAHHA-LRDDRELGSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000675924495 548293276 /nfs/dbraw/zinc/29/32/76/548293276.db2.gz KEMXEVMINKAHHA-LRDDRELGSA-N 2 2 323.278 3.368 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCN3CCCc4ccccc43)n2c1 ZINC000676414508 548361637 /nfs/dbraw/zinc/36/16/37/548361637.db2.gz DWHLEKRIWBFAMN-UHFFFAOYSA-N 2 2 320.440 3.185 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3noc4c3CCCC4)CC2)[nH+]c1 ZINC000677737434 548547828 /nfs/dbraw/zinc/54/78/28/548547828.db2.gz YGHILKGJLRTEER-UHFFFAOYSA-N 2 2 312.417 3.025 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@]2(C)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677748980 548549206 /nfs/dbraw/zinc/54/92/06/548549206.db2.gz FKCWESGXOYSLHH-HKUYNNGSSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@]2(C)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677748980 548549209 /nfs/dbraw/zinc/54/92/09/548549209.db2.gz FKCWESGXOYSLHH-HKUYNNGSSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000677749656 548550660 /nfs/dbraw/zinc/55/06/60/548550660.db2.gz MGUXTMWOMZBWRB-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000677749656 548550662 /nfs/dbraw/zinc/55/06/62/548550662.db2.gz MGUXTMWOMZBWRB-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP CCCCOCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805799 548558707 /nfs/dbraw/zinc/55/87/07/548558707.db2.gz QHRDFFJPSNDHQW-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CCCCOCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805799 548558712 /nfs/dbraw/zinc/55/87/12/548558712.db2.gz QHRDFFJPSNDHQW-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000677807551 548559299 /nfs/dbraw/zinc/55/92/99/548559299.db2.gz SOUGSQCOLIMKSE-MRXNPFEDSA-N 2 2 306.413 3.274 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000677807551 548559305 /nfs/dbraw/zinc/55/93/05/548559305.db2.gz SOUGSQCOLIMKSE-MRXNPFEDSA-N 2 2 306.413 3.274 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000677845463 548564669 /nfs/dbraw/zinc/56/46/69/548564669.db2.gz GFQHCSMKDTVKQX-QGZVFWFLSA-N 2 2 308.853 3.028 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000678073257 548607291 /nfs/dbraw/zinc/60/72/91/548607291.db2.gz OWVUZPMTIBVTGY-IUODEOHRSA-N 2 2 311.267 3.236 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000678073257 548607293 /nfs/dbraw/zinc/60/72/93/548607293.db2.gz OWVUZPMTIBVTGY-IUODEOHRSA-N 2 2 311.267 3.236 20 0 DGADLP CCCn1c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235088 548649412 /nfs/dbraw/zinc/64/94/12/548649412.db2.gz ODZVOMRTFSOPHF-INIZCTEOSA-N 2 2 323.444 3.480 20 0 DGADLP CCCn1c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235088 548649415 /nfs/dbraw/zinc/64/94/15/548649415.db2.gz ODZVOMRTFSOPHF-INIZCTEOSA-N 2 2 323.444 3.480 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678340624 548683385 /nfs/dbraw/zinc/68/33/85/548683385.db2.gz YSJQXCGOWCLCRP-LIRRHRJNSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678340624 548683387 /nfs/dbraw/zinc/68/33/87/548683387.db2.gz YSJQXCGOWCLCRP-LIRRHRJNSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678340624 548683389 /nfs/dbraw/zinc/68/33/89/548683389.db2.gz YSJQXCGOWCLCRP-LIRRHRJNSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678340624 548683393 /nfs/dbraw/zinc/68/33/93/548683393.db2.gz YSJQXCGOWCLCRP-LIRRHRJNSA-N 2 2 310.445 3.012 20 0 DGADLP Clc1ccc(OC2CCCC2)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678343360 548683979 /nfs/dbraw/zinc/68/39/79/548683979.db2.gz RRWQMEFZUIIISE-GJZGRUSLSA-N 2 2 320.864 3.313 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000678546245 548725600 /nfs/dbraw/zinc/72/56/00/548725600.db2.gz FVTSTFPMMQBHIO-IOJLRTSASA-N 2 2 316.489 3.324 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678546245 548725606 /nfs/dbraw/zinc/72/56/06/548725606.db2.gz FVTSTFPMMQBHIO-IOJLRTSASA-N 2 2 316.489 3.324 20 0 DGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCO1 ZINC000678598630 548736737 /nfs/dbraw/zinc/73/67/37/548736737.db2.gz TWVHIQDAYXHQMU-QGZVFWFLSA-N 2 2 317.477 3.235 20 0 DGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCO1 ZINC000678598629 548736893 /nfs/dbraw/zinc/73/68/93/548736893.db2.gz TWVHIQDAYXHQMU-KRWDZBQOSA-N 2 2 317.477 3.235 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678842723 548777674 /nfs/dbraw/zinc/77/76/74/548777674.db2.gz YFPGQSDDIQLMBJ-XJKSGUPXSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678842723 548777676 /nfs/dbraw/zinc/77/76/76/548777676.db2.gz YFPGQSDDIQLMBJ-XJKSGUPXSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678842723 548777678 /nfs/dbraw/zinc/77/76/78/548777678.db2.gz YFPGQSDDIQLMBJ-XJKSGUPXSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678842723 548777681 /nfs/dbraw/zinc/77/76/81/548777681.db2.gz YFPGQSDDIQLMBJ-XJKSGUPXSA-N 2 2 317.502 3.081 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C(C(C)C)C(C)C)c2cc1C ZINC000678900768 548789753 /nfs/dbraw/zinc/78/97/53/548789753.db2.gz YRARBOCSOOIOJB-MRXNPFEDSA-N 2 2 317.477 3.284 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000678946146 548799189 /nfs/dbraw/zinc/79/91/89/548799189.db2.gz KYXARRVRTMDCFB-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000678946146 548799192 /nfs/dbraw/zinc/79/91/92/548799192.db2.gz KYXARRVRTMDCFB-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000679042562 548821814 /nfs/dbraw/zinc/82/18/14/548821814.db2.gz PRQRSHKJCQCSJP-RBZYPMLTSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000679042562 548821817 /nfs/dbraw/zinc/82/18/17/548821817.db2.gz PRQRSHKJCQCSJP-RBZYPMLTSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000679042561 548821907 /nfs/dbraw/zinc/82/19/07/548821907.db2.gz PRQRSHKJCQCSJP-IMSIIYSGSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000679042561 548821913 /nfs/dbraw/zinc/82/19/13/548821913.db2.gz PRQRSHKJCQCSJP-IMSIIYSGSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042736 548822691 /nfs/dbraw/zinc/82/26/91/548822691.db2.gz CVHBMJQJYZGGDB-RLLQIKCJSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042736 548822697 /nfs/dbraw/zinc/82/26/97/548822697.db2.gz CVHBMJQJYZGGDB-RLLQIKCJSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000679576623 548920277 /nfs/dbraw/zinc/92/02/77/548920277.db2.gz YOKQIZJZBNSDJB-UHOSZYNNSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000679576623 548920281 /nfs/dbraw/zinc/92/02/81/548920281.db2.gz YOKQIZJZBNSDJB-UHOSZYNNSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000680067058 548991917 /nfs/dbraw/zinc/99/19/17/548991917.db2.gz AXMYPIVAGDXYOM-GBESFXJTSA-N 2 2 322.456 3.498 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000680067058 548991921 /nfs/dbraw/zinc/99/19/21/548991921.db2.gz AXMYPIVAGDXYOM-GBESFXJTSA-N 2 2 322.456 3.498 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000681082140 549156867 /nfs/dbraw/zinc/15/68/67/549156867.db2.gz IPWZFAZCMJJXLD-UONOGXRCSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000681082140 549156870 /nfs/dbraw/zinc/15/68/70/549156870.db2.gz IPWZFAZCMJJXLD-UONOGXRCSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000681082138 549157197 /nfs/dbraw/zinc/15/71/97/549157197.db2.gz IPWZFAZCMJJXLD-KGLIPLIRSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000681082138 549157202 /nfs/dbraw/zinc/15/72/02/549157202.db2.gz IPWZFAZCMJJXLD-KGLIPLIRSA-N 2 2 312.417 3.136 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000682133042 549293788 /nfs/dbraw/zinc/29/37/88/549293788.db2.gz KMAKIGNKMLMYTE-PMACEKPBSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000682133042 549293791 /nfs/dbraw/zinc/29/37/91/549293791.db2.gz KMAKIGNKMLMYTE-PMACEKPBSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682134312 549294544 /nfs/dbraw/zinc/29/45/44/549294544.db2.gz HPQIURZQIZYXQL-DOTOQJQBSA-N 2 2 321.428 3.153 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683436108 549484706 /nfs/dbraw/zinc/48/47/06/549484706.db2.gz LTJFOPKTMPXBRD-RDJZCZTQSA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683436108 549484710 /nfs/dbraw/zinc/48/47/10/549484710.db2.gz LTJFOPKTMPXBRD-RDJZCZTQSA-N 2 2 300.446 3.159 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000683771561 549533561 /nfs/dbraw/zinc/53/35/61/549533561.db2.gz DOFOAJDLXVYTDA-GOEBONIOSA-N 2 2 301.459 3.047 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000683771563 549533907 /nfs/dbraw/zinc/53/39/07/549533907.db2.gz DOFOAJDLXVYTDA-HOCLYGCPSA-N 2 2 301.459 3.047 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000684110783 549581311 /nfs/dbraw/zinc/58/13/11/549581311.db2.gz AYVVOUVNPKIXQQ-MAUKXSAKSA-N 2 2 302.462 3.263 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000684110783 549581315 /nfs/dbraw/zinc/58/13/15/549581315.db2.gz AYVVOUVNPKIXQQ-MAUKXSAKSA-N 2 2 302.462 3.263 20 0 DGADLP COc1cccc2c1OCC[C@H]2[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684377171 549622489 /nfs/dbraw/zinc/62/24/89/549622489.db2.gz BJEUKHNHDHWSBX-QGZVFWFLSA-N 2 2 312.413 3.445 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000684967958 549728282 /nfs/dbraw/zinc/72/82/82/549728282.db2.gz BHJLGMMMJBBNFA-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP CC(C)C[C@@H](C)CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000685425603 549757601 /nfs/dbraw/zinc/75/76/01/549757601.db2.gz NMKZGQFLGYQTIO-WBVHZDCISA-N 2 2 304.482 3.316 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cn2cccc(F)c2n1 ZINC000685459616 549763995 /nfs/dbraw/zinc/76/39/95/549763995.db2.gz ITGZWPDOWAOQGZ-UHFFFAOYSA-N 2 2 306.429 3.027 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn2cccc(F)c2n1 ZINC000685459616 549763997 /nfs/dbraw/zinc/76/39/97/549763997.db2.gz ITGZWPDOWAOQGZ-UHFFFAOYSA-N 2 2 306.429 3.027 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000685571663 549775440 /nfs/dbraw/zinc/77/54/40/549775440.db2.gz CXUAKSCMJJTMPP-KSSFIOAISA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000685571663 549775443 /nfs/dbraw/zinc/77/54/43/549775443.db2.gz CXUAKSCMJJTMPP-KSSFIOAISA-N 2 2 313.445 3.292 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000685582727 549777563 /nfs/dbraw/zinc/77/75/63/549777563.db2.gz GTJXNYVOUKOSMQ-WOJBJXKFSA-N 2 2 309.457 3.288 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000685582727 549777567 /nfs/dbraw/zinc/77/75/67/549777567.db2.gz GTJXNYVOUKOSMQ-WOJBJXKFSA-N 2 2 309.457 3.288 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000685613820 549780883 /nfs/dbraw/zinc/78/08/83/549780883.db2.gz BILDCXLNQVRQNZ-WVUXNXBLSA-N 2 2 310.388 3.375 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000685613820 549780885 /nfs/dbraw/zinc/78/08/85/549780885.db2.gz BILDCXLNQVRQNZ-WVUXNXBLSA-N 2 2 310.388 3.375 20 0 DGADLP Cc1cc2ncn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000738157136 574859995 /nfs/dbraw/zinc/85/99/95/574859995.db2.gz HCXGUCJTNHKDAB-MRXNPFEDSA-N 2 2 309.417 3.144 20 0 DGADLP S=c1oc2ccccc2n1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738147975 574860021 /nfs/dbraw/zinc/86/00/21/574860021.db2.gz HSLXQVKAAYZGSO-CYBMUJFWSA-N 2 2 314.414 3.455 20 0 DGADLP S=c1oc2ccccc2n1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738147975 574860023 /nfs/dbraw/zinc/86/00/23/574860023.db2.gz HSLXQVKAAYZGSO-CYBMUJFWSA-N 2 2 314.414 3.455 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669502 575531663 /nfs/dbraw/zinc/53/16/63/575531663.db2.gz PTWHPTYMKSGKDN-KDOFPFPSSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669502 575531665 /nfs/dbraw/zinc/53/16/65/575531665.db2.gz PTWHPTYMKSGKDN-KDOFPFPSSA-N 2 2 322.880 3.322 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515528 575662873 /nfs/dbraw/zinc/66/28/73/575662873.db2.gz TUSDSFRETDPWME-HOCLYGCPSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515528 575662877 /nfs/dbraw/zinc/66/28/77/575662877.db2.gz TUSDSFRETDPWME-HOCLYGCPSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000749515528 575662880 /nfs/dbraw/zinc/66/28/80/575662880.db2.gz TUSDSFRETDPWME-HOCLYGCPSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000749515528 575662883 /nfs/dbraw/zinc/66/28/83/575662883.db2.gz TUSDSFRETDPWME-HOCLYGCPSA-N 2 2 303.450 3.247 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000750839541 575754847 /nfs/dbraw/zinc/75/48/47/575754847.db2.gz MSFRGDFTLNTGIT-BBRMVZONSA-N 2 2 321.465 3.386 20 0 DGADLP CC1(C)C[NH+]=C(N2CC[NH+](CCCCC(F)(F)F)CC2)S1 ZINC000752018343 575818411 /nfs/dbraw/zinc/81/84/11/575818411.db2.gz AUNUUIHYXMFJMI-UHFFFAOYSA-N 2 2 323.428 3.218 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000752314200 575832013 /nfs/dbraw/zinc/83/20/13/575832013.db2.gz LTHICXMVJKAIKD-GOSISDBHSA-N 2 2 304.397 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000752314200 575832015 /nfs/dbraw/zinc/83/20/15/575832015.db2.gz LTHICXMVJKAIKD-GOSISDBHSA-N 2 2 304.397 3.084 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000302334584 575972740 /nfs/dbraw/zinc/97/27/40/575972740.db2.gz GRTJMSXDMNCQFC-ZFWWWQNUSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000302334584 575972744 /nfs/dbraw/zinc/97/27/44/575972744.db2.gz GRTJMSXDMNCQFC-ZFWWWQNUSA-N 2 2 309.251 3.120 20 0 DGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926215958 617885724 /nfs/dbraw/zinc/88/57/24/617885724.db2.gz DHFMZTFECZAMCK-MDZRGWNJSA-N 2 2 316.489 3.158 20 0 DGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926215958 617885727 /nfs/dbraw/zinc/88/57/27/617885727.db2.gz DHFMZTFECZAMCK-MDZRGWNJSA-N 2 2 316.489 3.158 20 0 DGADLP C[C@@]1(Br)C[C@@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000891568132 617837700 /nfs/dbraw/zinc/83/77/00/617837700.db2.gz NBCZYXIJMRCLFY-UKRRQHHQSA-N 2 2 315.299 3.110 20 0 DGADLP Cc1[nH+]ccc(N2CCC(n3cc[nH+]c3)CC2)c1Br ZINC000892158540 617977126 /nfs/dbraw/zinc/97/71/26/617977126.db2.gz APEACZLZAXSWQZ-UHFFFAOYSA-N 2 2 321.222 3.191 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000892724249 618148530 /nfs/dbraw/zinc/14/85/30/618148530.db2.gz UBKPFQDFBFEMSO-HNNXBMFYSA-N 2 2 302.466 3.221 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924602917 618300817 /nfs/dbraw/zinc/30/08/17/618300817.db2.gz PDACAPMLTIJFCG-MOPGFXCFSA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924602917 618300827 /nfs/dbraw/zinc/30/08/27/618300827.db2.gz PDACAPMLTIJFCG-MOPGFXCFSA-N 2 2 302.462 3.330 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000892870166 618333185 /nfs/dbraw/zinc/33/31/85/618333185.db2.gz DHONCPFJSIZFSV-JSGCOSHPSA-N 2 2 312.255 3.037 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494519 618357508 /nfs/dbraw/zinc/35/75/08/618357508.db2.gz FGIHRTQMDRBSAE-ZYHUDNBSSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494519 618357515 /nfs/dbraw/zinc/35/75/15/618357515.db2.gz FGIHRTQMDRBSAE-ZYHUDNBSSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494519 618357529 /nfs/dbraw/zinc/35/75/29/618357529.db2.gz FGIHRTQMDRBSAE-ZYHUDNBSSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494519 618357536 /nfs/dbraw/zinc/35/75/36/618357536.db2.gz FGIHRTQMDRBSAE-ZYHUDNBSSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCOC2(CCC2)C1 ZINC000926875182 618364256 /nfs/dbraw/zinc/36/42/56/618364256.db2.gz ARWZQDCUOMXAEY-KURKYZTESA-N 2 2 306.494 3.332 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCOC2(CCC2)C1 ZINC000926875182 618364266 /nfs/dbraw/zinc/36/42/66/618364266.db2.gz ARWZQDCUOMXAEY-KURKYZTESA-N 2 2 306.494 3.332 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000925640788 618517585 /nfs/dbraw/zinc/51/75/85/618517585.db2.gz UUIGIRUGZIWHHC-QMTHXVAHSA-N 2 2 322.250 3.161 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000925658767 618522011 /nfs/dbraw/zinc/52/20/11/618522011.db2.gz UQMQZHXUKYHSCC-JECHBYEQSA-N 2 2 322.811 3.191 20 0 DGADLP Cc1nc(C)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895110693 618539574 /nfs/dbraw/zinc/53/95/74/618539574.db2.gz UKBAMLBLPAKKQK-SHTZXODSSA-N 2 2 316.474 3.431 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2n[nH]c3ccccc32)c2cccc[nH+]2)CC1 ZINC000895111364 618540077 /nfs/dbraw/zinc/54/00/77/618540077.db2.gz OMHAFMJJQHEVLC-SHTZXODSSA-N 2 2 321.428 3.234 20 0 DGADLP Cc1cnc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895112692 618541142 /nfs/dbraw/zinc/54/11/42/618541142.db2.gz RKEITMVYQWHHSS-HDJSIYSDSA-N 2 2 302.447 3.123 20 0 DGADLP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893487948 618570185 /nfs/dbraw/zinc/57/01/85/618570185.db2.gz OVBXJMDDVVYXND-HUUCEWRRSA-N 2 2 306.450 3.421 20 0 DGADLP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893487948 618570188 /nfs/dbraw/zinc/57/01/88/618570188.db2.gz OVBXJMDDVVYXND-HUUCEWRRSA-N 2 2 306.450 3.421 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1Cl ZINC000893488934 618571159 /nfs/dbraw/zinc/57/11/59/618571159.db2.gz VTRNUTGPBCQJGO-TZMCWYRMSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1Cl ZINC000893488934 618571160 /nfs/dbraw/zinc/57/11/60/618571160.db2.gz VTRNUTGPBCQJGO-TZMCWYRMSA-N 2 2 324.900 3.125 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(CCc2ccccc2)s1)[NH+](C)C ZINC000895292066 618588927 /nfs/dbraw/zinc/58/89/27/618588927.db2.gz DEISXJQKGSOYFL-OAHLLOKOSA-N 2 2 317.502 3.358 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793327 618621137 /nfs/dbraw/zinc/62/11/37/618621137.db2.gz IIGPQDSLEGSISO-CRAIPNDOSA-N 2 2 302.462 3.058 20 0 DGADLP O=C(CCCC[NH+]1CCCC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000920768668 620821446 /nfs/dbraw/zinc/82/14/46/620821446.db2.gz QHFAVTFORQTBLP-UHFFFAOYSA-N 2 2 312.417 3.077 20 0 DGADLP Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)nc(C2CCC2)[nH+]1 ZINC000893669474 618635880 /nfs/dbraw/zinc/63/58/80/618635880.db2.gz XVTUTKMJWDSADH-UHFFFAOYSA-N 2 2 314.477 3.365 20 0 DGADLP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000894226331 618733935 /nfs/dbraw/zinc/73/39/35/618733935.db2.gz IXXFEKYVUMVOBJ-LJQANCHMSA-N 2 2 314.429 3.290 20 0 DGADLP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000894226331 618733936 /nfs/dbraw/zinc/73/39/36/618733936.db2.gz IXXFEKYVUMVOBJ-LJQANCHMSA-N 2 2 314.429 3.290 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000895564156 618799487 /nfs/dbraw/zinc/79/94/87/618799487.db2.gz ITQNFMOVZOVULH-QEJZJMRPSA-N 2 2 315.299 3.157 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000895564156 618799488 /nfs/dbraw/zinc/79/94/88/618799488.db2.gz ITQNFMOVZOVULH-QEJZJMRPSA-N 2 2 315.299 3.157 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cn(C)nc2C2CC2)CC1 ZINC000895734770 618826064 /nfs/dbraw/zinc/82/60/64/618826064.db2.gz AIXGACRDZUZIIL-UHFFFAOYSA-N 2 2 316.493 3.138 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000895823031 618836319 /nfs/dbraw/zinc/83/63/19/618836319.db2.gz SQSJKBVIXAAQKK-UHFFFAOYSA-N 2 2 314.433 3.120 20 0 DGADLP Cc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)nc(C2CC2)[nH+]1 ZINC000895890872 618846527 /nfs/dbraw/zinc/84/65/27/618846527.db2.gz CUSNDJSAZWUDPD-INIZCTEOSA-N 2 2 311.433 3.162 20 0 DGADLP COC1CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000896035576 618864554 /nfs/dbraw/zinc/86/45/54/618864554.db2.gz VIUKCIZGLAKFNM-KVZIAJEVSA-N 2 2 313.445 3.419 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)[nH+]c1 ZINC000896193032 618884138 /nfs/dbraw/zinc/88/41/38/618884138.db2.gz SCAUNUXWOOIATN-UHFFFAOYSA-N 2 2 323.440 3.483 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896194036 618885130 /nfs/dbraw/zinc/88/51/30/618885130.db2.gz LHCUXBCNZMQGJA-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](CC[NH+](C)C)c2cccnc2)cn1 ZINC000896723757 618948661 /nfs/dbraw/zinc/94/86/61/618948661.db2.gz UEOUTGIWGFALDI-LJQANCHMSA-N 2 2 312.461 3.000 20 0 DGADLP C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc(-n2cc[nH+]c2)c1 ZINC000925184569 619069224 /nfs/dbraw/zinc/06/92/24/619069224.db2.gz SLXJCULLAQFMMH-VKUSLMQGSA-N 2 2 311.429 3.481 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1 ZINC000897955453 619198605 /nfs/dbraw/zinc/19/86/05/619198605.db2.gz UWYAGSSUXUKAOG-CWFSZBLJSA-N 2 2 313.489 3.500 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC=CCCC2)CC1 ZINC000898031289 619207573 /nfs/dbraw/zinc/20/75/73/619207573.db2.gz BAPGVEUAXZTLNQ-QGZVFWFLSA-N 2 2 322.493 3.130 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034674 619208608 /nfs/dbraw/zinc/20/86/08/619208608.db2.gz VECRVFHYLCHEQH-VLIAUNLRSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034674 619208609 /nfs/dbraw/zinc/20/86/09/619208609.db2.gz VECRVFHYLCHEQH-VLIAUNLRSA-N 2 2 304.415 3.031 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H]3CCOC34CCCC4)c2)c[nH+]1 ZINC000898111199 619214824 /nfs/dbraw/zinc/21/48/24/619214824.db2.gz ITEUGYJTQJMZCB-HNNXBMFYSA-N 2 2 303.431 3.125 20 0 DGADLP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924624572 619247099 /nfs/dbraw/zinc/24/70/99/619247099.db2.gz LXZCGPRKWBACLP-RTBURBONSA-N 2 2 313.445 3.082 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(OC(C)C)cc1)C[NH+](C)C ZINC000926966291 619254212 /nfs/dbraw/zinc/25/42/12/619254212.db2.gz WGJOZYCBJCRNTN-CRAIPNDOSA-N 2 2 308.466 3.091 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706104 619261617 /nfs/dbraw/zinc/26/16/17/619261617.db2.gz OEFVZXYXTNPHGW-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706104 619261619 /nfs/dbraw/zinc/26/16/19/619261619.db2.gz OEFVZXYXTNPHGW-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000924730816 619269096 /nfs/dbraw/zinc/26/90/96/619269096.db2.gz RBIATRAHLOUEOY-ZBFHGGJFSA-N 2 2 315.465 3.181 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc2c1OCO2 ZINC000924731358 619270949 /nfs/dbraw/zinc/27/09/49/619270949.db2.gz UUKJAKDHHGBALJ-CJNGLKHVSA-N 2 2 315.417 3.377 20 0 DGADLP Cc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000900021503 619390581 /nfs/dbraw/zinc/39/05/81/619390581.db2.gz VWJFHCXQKKAMBA-UHFFFAOYSA-N 2 2 322.456 3.159 20 0 DGADLP [NH3+]CCCC[C@H]([NH2+]Cc1ncccc1F)c1ccc(F)cc1F ZINC000902363965 619627381 /nfs/dbraw/zinc/62/73/81/619627381.db2.gz XJHRAAUCWINNNA-INIZCTEOSA-N 2 2 323.362 3.459 20 0 DGADLP Nc1ccc(COc2ccc(C[NH+]3CCCC3)c(Cl)c2)c[nH+]1 ZINC000902444902 619637019 /nfs/dbraw/zinc/63/70/19/619637019.db2.gz MGALZGDANXFZMF-UHFFFAOYSA-N 2 2 317.820 3.492 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)[C@H]2CCC[NH2+]2)cc1 ZINC000902458563 619641023 /nfs/dbraw/zinc/64/10/23/619641023.db2.gz WIBIUQGXWMUNFO-IJCBKZNRSA-N 2 2 300.446 3.267 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc2c(c1)OCCCO2 ZINC000902483892 619645680 /nfs/dbraw/zinc/64/56/80/619645680.db2.gz SLBCEYDOURTLGD-ZBFHGGJFSA-N 2 2 304.434 3.031 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000902484962 619645951 /nfs/dbraw/zinc/64/59/51/619645951.db2.gz XPFKOQIZKNOSPB-PBHICJAKSA-N 2 2 317.433 3.352 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742647 619668927 /nfs/dbraw/zinc/66/89/27/619668927.db2.gz VEQOWPLPTMSKGR-CVEARBPZSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742647 619668929 /nfs/dbraw/zinc/66/89/29/619668929.db2.gz VEQOWPLPTMSKGR-CVEARBPZSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742650 619669018 /nfs/dbraw/zinc/66/90/18/619669018.db2.gz VEQOWPLPTMSKGR-JKSUJKDBSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742650 619669019 /nfs/dbraw/zinc/66/90/19/619669019.db2.gz VEQOWPLPTMSKGR-JKSUJKDBSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747958 619669858 /nfs/dbraw/zinc/66/98/58/619669858.db2.gz JMIGHGNWKPMTQY-SNRMKQJTSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747958 619669859 /nfs/dbraw/zinc/66/98/59/619669859.db2.gz JMIGHGNWKPMTQY-SNRMKQJTSA-N 2 2 310.445 3.150 20 0 DGADLP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000902765658 619672651 /nfs/dbraw/zinc/67/26/51/619672651.db2.gz RXDZEQHEFWZYCT-JKSUJKDBSA-N 2 2 317.408 3.449 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902801992 619675637 /nfs/dbraw/zinc/67/56/37/619675637.db2.gz HHMLVGWBVBVHND-DAYGRLMNSA-N 2 2 301.434 3.320 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000902817108 619681456 /nfs/dbraw/zinc/68/14/56/619681456.db2.gz VPNZLNKXFXVXNS-WMLDXEAASA-N 2 2 311.385 3.158 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(-n2ccnc2)c1 ZINC000902835573 619682333 /nfs/dbraw/zinc/68/23/33/619682333.db2.gz KAOCHXJBLHUEPB-INIZCTEOSA-N 2 2 321.428 3.420 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000902893600 619689616 /nfs/dbraw/zinc/68/96/16/619689616.db2.gz ADBDYXMVFJUBDD-JEDBISTDSA-N 2 2 323.440 3.481 20 0 DGADLP C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902896549 619689856 /nfs/dbraw/zinc/68/98/56/619689856.db2.gz LBYTZLYUWAIKFN-MRXNPFEDSA-N 2 2 321.424 3.258 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902954082 619696915 /nfs/dbraw/zinc/69/69/15/619696915.db2.gz PXIUSMGOKBGKSS-YJLNNSPDSA-N 2 2 311.429 3.481 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902969884 619698072 /nfs/dbraw/zinc/69/80/72/619698072.db2.gz IEMXGHDSCXMOTP-OAHLLOKOSA-N 2 2 301.434 3.464 20 0 DGADLP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902976995 619698858 /nfs/dbraw/zinc/69/88/58/619698858.db2.gz UQSHWAHPQOIGCY-INIZCTEOSA-N 3 2 324.472 3.397 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1COc2ccccc2C1 ZINC000903046780 619710366 /nfs/dbraw/zinc/71/03/66/619710366.db2.gz AQPZCQRLMOIMFL-USXIJHARSA-N 2 2 302.462 3.089 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1COc2ccccc2C1 ZINC000903046780 619710369 /nfs/dbraw/zinc/71/03/69/619710369.db2.gz AQPZCQRLMOIMFL-USXIJHARSA-N 2 2 302.462 3.089 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCOC23CCCC3)c[nH+]1 ZINC000903068191 619710693 /nfs/dbraw/zinc/71/06/93/619710693.db2.gz ZCAPKSYRIQADJF-GOSISDBHSA-N 2 2 311.429 3.123 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)c[nH+]1 ZINC000903080183 619712557 /nfs/dbraw/zinc/71/25/57/619712557.db2.gz OYKZZZIWOCMOHQ-XGSMCBPESA-N 3 2 322.456 3.120 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)c[nH+]1 ZINC000903080183 619712558 /nfs/dbraw/zinc/71/25/58/619712558.db2.gz OYKZZZIWOCMOHQ-XGSMCBPESA-N 3 2 322.456 3.120 20 0 DGADLP c1cc(NC2CC[NH+](Cc3ccncc3)CC2)[nH+]c(C2CC2)c1 ZINC000903269925 619749620 /nfs/dbraw/zinc/74/96/20/619749620.db2.gz SGXZXILEOWZZJH-UHFFFAOYSA-N 2 2 308.429 3.431 20 0 DGADLP CO[C@@]1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCSC1 ZINC000903316420 619758688 /nfs/dbraw/zinc/75/86/88/619758688.db2.gz OTMFWGAHDNUMGR-RHSMWYFYSA-N 2 2 317.458 3.045 20 0 DGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385176 619769634 /nfs/dbraw/zinc/76/96/34/619769634.db2.gz VTUJYAUFICIFPV-PBHICJAKSA-N 2 2 303.475 3.357 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000903458840 619776930 /nfs/dbraw/zinc/77/69/30/619776930.db2.gz LOFCFAHEZDSNHC-QIIPPGSGSA-N 2 2 315.848 3.270 20 0 DGADLP Clc1ccccc1OC[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903457388 619779866 /nfs/dbraw/zinc/77/98/66/619779866.db2.gz RRKWHVBNVYNVTP-LSDHHAIUSA-N 2 2 308.853 3.183 20 0 DGADLP Clc1ccccc1OC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903457388 619779869 /nfs/dbraw/zinc/77/98/69/619779869.db2.gz RRKWHVBNVYNVTP-LSDHHAIUSA-N 2 2 308.853 3.183 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000903909542 619833146 /nfs/dbraw/zinc/83/31/46/619833146.db2.gz FKTIVWDEHCKCNX-MAUKXSAKSA-N 2 2 308.416 3.339 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000903909542 619833148 /nfs/dbraw/zinc/83/31/48/619833148.db2.gz FKTIVWDEHCKCNX-MAUKXSAKSA-N 2 2 308.416 3.339 20 0 DGADLP CC(C)c1ccc(CC[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000903942312 619841659 /nfs/dbraw/zinc/84/16/59/619841659.db2.gz OAYOTUPHOFUAKB-UHFFFAOYSA-N 2 2 315.486 3.326 20 0 DGADLP CC(C)c1ccc(CC[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000903942312 619841661 /nfs/dbraw/zinc/84/16/61/619841661.db2.gz OAYOTUPHOFUAKB-UHFFFAOYSA-N 2 2 315.486 3.326 20 0 DGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000903941702 619841844 /nfs/dbraw/zinc/84/18/44/619841844.db2.gz DQJQBDJSPXLQJI-CQSZACIVSA-N 2 2 315.486 3.229 20 0 DGADLP C[C@H](CCc1ccccc1)C[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000903941702 619841846 /nfs/dbraw/zinc/84/18/46/619841846.db2.gz DQJQBDJSPXLQJI-CQSZACIVSA-N 2 2 315.486 3.229 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000924800298 619941406 /nfs/dbraw/zinc/94/14/06/619941406.db2.gz YTJFXOSHTAQLKN-ZWKOTPCHSA-N 2 2 312.461 3.102 20 0 DGADLP c1ccc2[nH]c(CCC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000924800298 619941408 /nfs/dbraw/zinc/94/14/08/619941408.db2.gz YTJFXOSHTAQLKN-ZWKOTPCHSA-N 2 2 312.461 3.102 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000905454426 620000642 /nfs/dbraw/zinc/00/06/42/620000642.db2.gz SIXXAZIERYFKJD-VQTJNVASSA-N 2 2 321.424 3.256 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000925391276 620463632 /nfs/dbraw/zinc/46/36/32/620463632.db2.gz WMCCKWUCVJAKQA-INIZCTEOSA-N 2 2 317.477 3.114 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nccc2c1CCCC2 ZINC000921576649 620911145 /nfs/dbraw/zinc/91/11/45/620911145.db2.gz HJOYZWUPHNVAPE-GOSISDBHSA-N 2 2 312.461 3.361 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)[nH+]c1C ZINC000921658822 620929133 /nfs/dbraw/zinc/92/91/33/620929133.db2.gz DFAPCTVDJHMSIR-QGZVFWFLSA-N 2 2 324.428 3.259 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)[nH+]c1C ZINC000921658822 620929134 /nfs/dbraw/zinc/92/91/34/620929134.db2.gz DFAPCTVDJHMSIR-QGZVFWFLSA-N 2 2 324.428 3.259 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000922672234 621077972 /nfs/dbraw/zinc/07/79/72/621077972.db2.gz OEIOZIVVWKLXTI-ZDUSSCGKSA-N 2 2 319.474 3.373 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCCC2)CCOCC1 ZINC000922749416 621093451 /nfs/dbraw/zinc/09/34/51/621093451.db2.gz YURADVFHKIQNRO-UHFFFAOYSA-N 2 2 302.462 3.200 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCCC2)CCOCC1 ZINC000922749416 621093454 /nfs/dbraw/zinc/09/34/54/621093454.db2.gz YURADVFHKIQNRO-UHFFFAOYSA-N 2 2 302.462 3.200 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2scnc21 ZINC000858352848 621180016 /nfs/dbraw/zinc/18/00/16/621180016.db2.gz GLSZUFSYXNXYBP-TZMCWYRMSA-N 2 2 304.463 3.422 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccncc2Cl)cc1 ZINC000859212378 621261097 /nfs/dbraw/zinc/26/10/97/621261097.db2.gz HYQRZQZUUBDFAX-UHFFFAOYSA-N 2 2 303.837 3.429 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccncc2Cl)cc1 ZINC000859212378 621261098 /nfs/dbraw/zinc/26/10/98/621261098.db2.gz HYQRZQZUUBDFAX-UHFFFAOYSA-N 2 2 303.837 3.429 20 0 DGADLP Fc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccn1 ZINC000859283073 621267038 /nfs/dbraw/zinc/26/70/38/621267038.db2.gz GABRCOWQZWXAMJ-UHFFFAOYSA-N 2 2 314.408 3.133 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000753664397 621458516 /nfs/dbraw/zinc/45/85/16/621458516.db2.gz JYAQZHNNGBEAHF-DOTOQJQBSA-N 2 2 302.462 3.447 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000753664397 621458517 /nfs/dbraw/zinc/45/85/17/621458517.db2.gz JYAQZHNNGBEAHF-DOTOQJQBSA-N 2 2 302.462 3.447 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000863652686 621694370 /nfs/dbraw/zinc/69/43/70/621694370.db2.gz WAPJDBCQZQYHOM-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000863652686 621694372 /nfs/dbraw/zinc/69/43/72/621694372.db2.gz WAPJDBCQZQYHOM-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP c1cn(Cc2cccc(-c3cccc([C@@H]4COCC[NH2+]4)c3)c2)c[nH+]1 ZINC000863690237 621701271 /nfs/dbraw/zinc/70/12/71/621701271.db2.gz NMBARZHEBGODQT-FQEVSTJZSA-N 2 2 319.408 3.259 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000865419530 621916183 /nfs/dbraw/zinc/91/61/83/621916183.db2.gz UFTNBWBBUQGCHH-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP C[C@H]([NH2+]Cc1cn(C2CC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865524555 621943157 /nfs/dbraw/zinc/94/31/57/621943157.db2.gz XBCAAWIYTUTGGL-WMZOPIPTSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]([NH2+]Cc1cn(C2CC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000865524555 621943159 /nfs/dbraw/zinc/94/31/59/621943159.db2.gz XBCAAWIYTUTGGL-WMZOPIPTSA-N 2 2 324.472 3.218 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cnc12 ZINC000865620536 621964184 /nfs/dbraw/zinc/96/41/84/621964184.db2.gz YVWLORPAVMEVCA-MSOLQXFVSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cnc12 ZINC000865620536 621964186 /nfs/dbraw/zinc/96/41/86/621964186.db2.gz YVWLORPAVMEVCA-MSOLQXFVSA-N 2 2 313.420 3.480 20 0 DGADLP c1cn(CC[NH2+][C@@H](CCc2ccccc2)c2ccccn2)c[nH+]1 ZINC000866214975 622067789 /nfs/dbraw/zinc/06/77/89/622067789.db2.gz GMVBXRZFXGWWQR-IBGZPJMESA-N 2 2 306.413 3.242 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000866240093 622073827 /nfs/dbraw/zinc/07/38/27/622073827.db2.gz XNMIJFSFKJUHDU-FOIQADDNSA-N 2 2 311.473 3.486 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866342509 622097963 /nfs/dbraw/zinc/09/79/63/622097963.db2.gz HJNKENPQNUOTSQ-QAPCUYQASA-N 2 2 320.440 3.357 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361291 622103121 /nfs/dbraw/zinc/10/31/21/622103121.db2.gz MHPFVOBHZYRERH-YOEHRIQHSA-N 2 2 320.440 3.426 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000866395815 622110396 /nfs/dbraw/zinc/11/03/96/622110396.db2.gz GGGWXMQRIZPZAP-VQIMIIECSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000866395815 622110398 /nfs/dbraw/zinc/11/03/98/622110398.db2.gz GGGWXMQRIZPZAP-VQIMIIECSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000866479672 622125041 /nfs/dbraw/zinc/12/50/41/622125041.db2.gz XNECFPFBFIPWID-BPQIPLTHSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000866479672 622125042 /nfs/dbraw/zinc/12/50/42/622125042.db2.gz XNECFPFBFIPWID-BPQIPLTHSA-N 2 2 319.518 3.167 20 0 DGADLP Cc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)nc1Cl ZINC000866663169 622154215 /nfs/dbraw/zinc/15/42/15/622154215.db2.gz AYYXQAUSMBYYCL-UHFFFAOYSA-N 2 2 303.837 3.394 20 0 DGADLP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)nc1Cl ZINC000866663169 622154217 /nfs/dbraw/zinc/15/42/17/622154217.db2.gz AYYXQAUSMBYYCL-UHFFFAOYSA-N 2 2 303.837 3.394 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000764889955 622230532 /nfs/dbraw/zinc/23/05/32/622230532.db2.gz QXOZWJSAKJIIST-HUUCEWRRSA-N 2 2 309.417 3.117 20 0 DGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000122357806 622300790 /nfs/dbraw/zinc/30/07/90/622300790.db2.gz PNVUQLRLVBCXSS-LJQANCHMSA-N 2 2 301.478 3.500 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000768530326 622462556 /nfs/dbraw/zinc/46/25/56/622462556.db2.gz CCLQMFFETMPGSD-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000123098175 622463530 /nfs/dbraw/zinc/46/35/30/622463530.db2.gz XBWGPKMPGYULEQ-WBVHZDCISA-N 2 2 322.493 3.201 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000768707534 622472291 /nfs/dbraw/zinc/47/22/91/622472291.db2.gz SHOFVBPCYLRRLH-YGONEPDPSA-N 2 2 309.404 3.240 20 0 DGADLP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000872017339 622753700 /nfs/dbraw/zinc/75/37/00/622753700.db2.gz ZJIDAGDDFAXLKT-SFHVURJKSA-N 2 2 319.424 3.038 20 0 DGADLP CC[C@H](CCC(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000872022095 622756420 /nfs/dbraw/zinc/75/64/20/622756420.db2.gz TUVIFPZZAPHLNL-GFCCVEGCSA-N 2 2 303.372 3.473 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)ccc1F ZINC000872023296 622757296 /nfs/dbraw/zinc/75/72/96/622757296.db2.gz FFJFEIBRPFREJU-LRDDRELGSA-N 2 2 305.397 3.493 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCSC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873234115 623086250 /nfs/dbraw/zinc/08/62/50/623086250.db2.gz AIFNRHDEEDUHQQ-JLSDUUJJSA-N 2 2 320.502 3.221 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1c[nH+]ccc1N ZINC000873249896 623090958 /nfs/dbraw/zinc/09/09/58/623090958.db2.gz DCYAITLKPIIVJX-VIFPVBQESA-N 2 2 311.307 3.085 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[N@@H+]1CCCC[C@H]1C ZINC000775370088 623261109 /nfs/dbraw/zinc/26/11/09/623261109.db2.gz LCTQNWLUYOWDFY-DGXTUMSLSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[N@H+]1CCCC[C@H]1C ZINC000775370088 623261111 /nfs/dbraw/zinc/26/11/11/623261111.db2.gz LCTQNWLUYOWDFY-DGXTUMSLSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440288 623275103 /nfs/dbraw/zinc/27/51/03/623275103.db2.gz KUPUYZSQRFSXNL-YLJYHZDGSA-N 2 2 316.489 3.476 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440288 623275106 /nfs/dbraw/zinc/27/51/06/623275106.db2.gz KUPUYZSQRFSXNL-YLJYHZDGSA-N 2 2 316.489 3.476 20 0 DGADLP Cc1ccc(N2CC[N@H+](CCCn3cc[nH+]c3)[C@H](C)C2)cc1C ZINC000775972479 623358952 /nfs/dbraw/zinc/35/89/52/623358952.db2.gz LHHNWOUAJBCTLN-GOSISDBHSA-N 2 2 312.461 3.101 20 0 DGADLP Cc1ccc(N2CC[N@@H+](CCCn3cc[nH+]c3)[C@H](C)C2)cc1C ZINC000775972479 623358957 /nfs/dbraw/zinc/35/89/57/623358957.db2.gz LHHNWOUAJBCTLN-GOSISDBHSA-N 2 2 312.461 3.101 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810956 623712267 /nfs/dbraw/zinc/71/22/67/623712267.db2.gz AOUGZWMATTUTJH-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810956 623712269 /nfs/dbraw/zinc/71/22/69/623712269.db2.gz AOUGZWMATTUTJH-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810956 623712272 /nfs/dbraw/zinc/71/22/72/623712272.db2.gz AOUGZWMATTUTJH-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4c(F)cccc4c3)CC[C@H]21 ZINC000876810956 623712280 /nfs/dbraw/zinc/71/22/80/623712280.db2.gz AOUGZWMATTUTJH-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812264 623714139 /nfs/dbraw/zinc/71/41/39/623714139.db2.gz KIGALYXLBTZGLV-XHDPSFHLSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812264 623714142 /nfs/dbraw/zinc/71/41/42/623714142.db2.gz KIGALYXLBTZGLV-XHDPSFHLSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812264 623714144 /nfs/dbraw/zinc/71/41/44/623714144.db2.gz KIGALYXLBTZGLV-XHDPSFHLSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812264 623714148 /nfs/dbraw/zinc/71/41/48/623714148.db2.gz KIGALYXLBTZGLV-XHDPSFHLSA-N 2 2 314.260 3.305 20 0 DGADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)Cc1ccccc1 ZINC000876955761 623753606 /nfs/dbraw/zinc/75/36/06/623753606.db2.gz CDFBGHVUVGZLDT-MSOLQXFVSA-N 2 2 315.461 3.145 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877052572 623777096 /nfs/dbraw/zinc/77/70/96/623777096.db2.gz TZHUYDWAOJPAOD-HKUYNNGSSA-N 2 2 310.445 3.176 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877052572 623777098 /nfs/dbraw/zinc/77/70/98/623777098.db2.gz TZHUYDWAOJPAOD-HKUYNNGSSA-N 2 2 310.445 3.176 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000877486459 623907018 /nfs/dbraw/zinc/90/70/18/623907018.db2.gz NMVMAWKRFJRSEU-WIEQDCTASA-N 2 2 318.442 3.419 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000877486459 623907019 /nfs/dbraw/zinc/90/70/19/623907019.db2.gz NMVMAWKRFJRSEU-WIEQDCTASA-N 2 2 318.442 3.419 20 0 DGADLP CCOc1cccc(F)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000877528228 623925814 /nfs/dbraw/zinc/92/58/14/623925814.db2.gz WADZJGXPMZTQIU-UHFFFAOYSA-N 2 2 305.397 3.251 20 0 DGADLP CCOc1cccc(F)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000877528228 623925816 /nfs/dbraw/zinc/92/58/16/623925816.db2.gz WADZJGXPMZTQIU-UHFFFAOYSA-N 2 2 305.397 3.251 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530979 623928040 /nfs/dbraw/zinc/92/80/40/623928040.db2.gz HETGYNYEBFREMX-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530979 623928044 /nfs/dbraw/zinc/92/80/44/623928044.db2.gz HETGYNYEBFREMX-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530979 623928046 /nfs/dbraw/zinc/92/80/46/623928046.db2.gz HETGYNYEBFREMX-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530979 623928049 /nfs/dbraw/zinc/92/80/49/623928049.db2.gz HETGYNYEBFREMX-WMZOPIPTSA-N 2 2 313.420 3.290 20 0 DGADLP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000780718543 623971928 /nfs/dbraw/zinc/97/19/28/623971928.db2.gz ZMNKKEWJCAFFMC-AWEZNQCLSA-N 2 2 321.428 3.384 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)[C@H]3CCCOC3)cc2)CC1 ZINC000780738680 623976249 /nfs/dbraw/zinc/97/62/49/623976249.db2.gz FUDRACBTVZOICU-IRXDYDNUSA-N 2 2 317.477 3.056 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743191 624017401 /nfs/dbraw/zinc/01/74/01/624017401.db2.gz ITEKGOLESOFXJN-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743191 624017405 /nfs/dbraw/zinc/01/74/05/624017405.db2.gz ITEKGOLESOFXJN-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC(C)C ZINC000877743191 624017407 /nfs/dbraw/zinc/01/74/07/624017407.db2.gz ITEKGOLESOFXJN-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1OC(C)C ZINC000877743191 624017411 /nfs/dbraw/zinc/01/74/11/624017411.db2.gz ITEKGOLESOFXJN-SJORKVTESA-N 2 2 318.461 3.008 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccnn1C ZINC000877761317 624026113 /nfs/dbraw/zinc/02/61/13/624026113.db2.gz FGMPQYYCZTVZSW-VPWXQRGCSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccnn1C ZINC000877761317 624026117 /nfs/dbraw/zinc/02/61/17/624026117.db2.gz FGMPQYYCZTVZSW-VPWXQRGCSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417058 624067788 /nfs/dbraw/zinc/06/77/88/624067788.db2.gz RNPVREOOSQULRF-HIFRSBDPSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417058 624067793 /nfs/dbraw/zinc/06/77/93/624067793.db2.gz RNPVREOOSQULRF-HIFRSBDPSA-N 2 2 307.869 3.478 20 0 DGADLP c1cn(C2CC[NH+](C[C@H]3CC[C@@H](c4ccccc4)O3)CC2)c[nH+]1 ZINC000878172886 624202343 /nfs/dbraw/zinc/20/23/43/624202343.db2.gz NUQGWKQOQMYCFD-MOPGFXCFSA-N 2 2 311.429 3.440 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283017 624234933 /nfs/dbraw/zinc/23/49/33/624234933.db2.gz CSHMZVSDUYUNNA-SWLSCSKDSA-N 2 2 304.825 3.323 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283017 624234934 /nfs/dbraw/zinc/23/49/34/624234934.db2.gz CSHMZVSDUYUNNA-SWLSCSKDSA-N 2 2 304.825 3.323 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)c2ccccc2F)cc1 ZINC000878314713 624243766 /nfs/dbraw/zinc/24/37/66/624243766.db2.gz SQFKGXITTUKHCX-UHFFFAOYSA-N 2 2 314.404 3.202 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)c2ccccc2F)cc1 ZINC000878314713 624243769 /nfs/dbraw/zinc/24/37/69/624243769.db2.gz SQFKGXITTUKHCX-UHFFFAOYSA-N 2 2 314.404 3.202 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878522235 624297754 /nfs/dbraw/zinc/29/77/54/624297754.db2.gz LIOOJFWOLTYPEF-QGZVFWFLSA-N 2 2 316.445 3.192 20 0 DGADLP CC(C)(C)SCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878551985 624305303 /nfs/dbraw/zinc/30/53/03/624305303.db2.gz KRQZXXSNQFHMAW-INIZCTEOSA-N 2 2 314.539 3.095 20 0 DGADLP CC(C)(C)SCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878551985 624305304 /nfs/dbraw/zinc/30/53/04/624305304.db2.gz KRQZXXSNQFHMAW-INIZCTEOSA-N 2 2 314.539 3.095 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccccc3Br)C2)C1 ZINC000878645238 624329377 /nfs/dbraw/zinc/32/93/77/624329377.db2.gz INFCRXBZMORKKM-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccccc3Br)C2)C1 ZINC000878645238 624329378 /nfs/dbraw/zinc/32/93/78/624329378.db2.gz INFCRXBZMORKKM-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccccc3Br)C2)C1 ZINC000878645238 624329379 /nfs/dbraw/zinc/32/93/79/624329379.db2.gz INFCRXBZMORKKM-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC000878645238 624329380 /nfs/dbraw/zinc/32/93/80/624329380.db2.gz INFCRXBZMORKKM-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP CCOCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000783425281 624348925 /nfs/dbraw/zinc/34/89/25/624348925.db2.gz RAIVCMIIIUBTQM-MRXNPFEDSA-N 2 2 315.417 3.162 20 0 DGADLP CCOCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000783425281 624348931 /nfs/dbraw/zinc/34/89/31/624348931.db2.gz RAIVCMIIIUBTQM-MRXNPFEDSA-N 2 2 315.417 3.162 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000783517654 624360712 /nfs/dbraw/zinc/36/07/12/624360712.db2.gz HBTYMVOAWUYUJH-YOEHRIQHSA-N 2 2 305.491 3.092 20 0 DGADLP C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000127478740 624410099 /nfs/dbraw/zinc/41/00/99/624410099.db2.gz HTAYNTORQCNVCH-RCDICMHDSA-N 2 2 319.474 3.070 20 0 DGADLP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879160349 624441584 /nfs/dbraw/zinc/44/15/84/624441584.db2.gz YAYPRMDCGZWWLZ-UHFFFAOYSA-N 2 2 318.808 3.282 20 0 DGADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879201493 624449683 /nfs/dbraw/zinc/44/96/83/624449683.db2.gz KQVXNNFZVXSIRA-SFHVURJKSA-N 2 2 320.452 3.118 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000879206060 624451021 /nfs/dbraw/zinc/45/10/21/624451021.db2.gz DBWXUPRWBAIFLE-SFHVURJKSA-N 2 2 320.452 3.200 20 0 DGADLP FC(F)(F)SCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784507484 624537029 /nfs/dbraw/zinc/53/70/29/624537029.db2.gz JAPKFOXIUKTAQT-UHFFFAOYSA-N 2 2 307.366 3.276 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573818 624596083 /nfs/dbraw/zinc/59/60/83/624596083.db2.gz SBFGPYSWLDMITM-VQIMIIECSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573818 624596087 /nfs/dbraw/zinc/59/60/87/624596087.db2.gz SBFGPYSWLDMITM-VQIMIIECSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573818 624596093 /nfs/dbraw/zinc/59/60/93/624596093.db2.gz SBFGPYSWLDMITM-VQIMIIECSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573818 624596105 /nfs/dbraw/zinc/59/61/05/624596105.db2.gz SBFGPYSWLDMITM-VQIMIIECSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581161 624599461 /nfs/dbraw/zinc/59/94/61/624599461.db2.gz XKIAPIWDPHOJKW-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581161 624599466 /nfs/dbraw/zinc/59/94/66/624599466.db2.gz XKIAPIWDPHOJKW-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581161 624599472 /nfs/dbraw/zinc/59/94/72/624599472.db2.gz XKIAPIWDPHOJKW-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581161 624599479 /nfs/dbraw/zinc/59/94/79/624599479.db2.gz XKIAPIWDPHOJKW-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](CCCOC(F)(F)F)CC1 ZINC000879952588 624729938 /nfs/dbraw/zinc/72/99/38/624729938.db2.gz XOHYYWKAPGVPHZ-UHFFFAOYSA-N 2 2 308.388 3.253 20 0 DGADLP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202760 624838387 /nfs/dbraw/zinc/83/83/87/624838387.db2.gz SHJBOTJMFFRMGS-GDBMZVCRSA-N 2 2 316.436 3.045 20 0 DGADLP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202760 624838389 /nfs/dbraw/zinc/83/83/89/624838389.db2.gz SHJBOTJMFFRMGS-GDBMZVCRSA-N 2 2 316.436 3.045 20 0 DGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208401 624842342 /nfs/dbraw/zinc/84/23/42/624842342.db2.gz RMXOKPBTFHSVLV-FQEVSTJZSA-N 2 2 316.489 3.161 20 0 DGADLP Cc1ccccc1CCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208401 624842343 /nfs/dbraw/zinc/84/23/43/624842343.db2.gz RMXOKPBTFHSVLV-FQEVSTJZSA-N 2 2 316.489 3.161 20 0 DGADLP C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CCN1c1cc[nH+]cc1 ZINC000880259420 624874738 /nfs/dbraw/zinc/87/47/38/624874738.db2.gz SHPMBLLHTHPUCR-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CCN1c1cc[nH+]cc1 ZINC000880259420 624874739 /nfs/dbraw/zinc/87/47/39/624874739.db2.gz SHPMBLLHTHPUCR-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387037 624947413 /nfs/dbraw/zinc/94/74/13/624947413.db2.gz FRDOTLSVNMRQKF-QGZVFWFLSA-N 2 2 301.459 3.372 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387037 624947416 /nfs/dbraw/zinc/94/74/16/624947416.db2.gz FRDOTLSVNMRQKF-QGZVFWFLSA-N 2 2 301.459 3.372 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000880474174 624964792 /nfs/dbraw/zinc/96/47/92/624964792.db2.gz FJSRYVBVSJGTCF-MRXNPFEDSA-N 2 2 314.429 3.026 20 0 DGADLP CC(C)CC[C@@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568870 624979355 /nfs/dbraw/zinc/97/93/55/624979355.db2.gz FOVRGYKMRMIKAN-QZTJIDSGSA-N 2 2 301.434 3.011 20 0 DGADLP FC(F)(F)OCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570161 624979973 /nfs/dbraw/zinc/97/99/73/624979973.db2.gz QQLIYTIHFQGUSK-AWEZNQCLSA-N 2 2 313.323 3.141 20 0 DGADLP CC(C)n1nccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569887 624980168 /nfs/dbraw/zinc/98/01/68/624980168.db2.gz RJLGSPNRNXKCSH-GOSISDBHSA-N 2 2 309.417 3.192 20 0 DGADLP O[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC1CCCC1 ZINC000880569836 624980191 /nfs/dbraw/zinc/98/01/91/624980191.db2.gz QGTFWPSPDYPYIP-RBUKOAKNSA-N 2 2 313.445 3.155 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000880571861 624980228 /nfs/dbraw/zinc/98/02/28/624980228.db2.gz UKVPUYCXLZPYOM-INIZCTEOSA-N 2 2 312.442 3.488 20 0 DGADLP CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000792257753 625930987 /nfs/dbraw/zinc/93/09/87/625930987.db2.gz BMJSCGWKNNUAOT-GOSISDBHSA-N 2 2 315.417 3.002 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194169 625965175 /nfs/dbraw/zinc/96/51/75/625965175.db2.gz PJABCDOXCJOCGQ-BEFAXECRSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194169 625965181 /nfs/dbraw/zinc/96/51/81/625965181.db2.gz PJABCDOXCJOCGQ-BEFAXECRSA-N 2 2 320.452 3.225 20 0 DGADLP CCc1ccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000796452209 626051297 /nfs/dbraw/zinc/05/12/97/626051297.db2.gz SECFQJWKTWZUHX-HXUWFJFHSA-N 2 2 321.424 3.258 20 0 DGADLP Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc(Cl)n1 ZINC000797599448 626157706 /nfs/dbraw/zinc/15/77/06/626157706.db2.gz JWFXJUCGHZMODE-UHFFFAOYSA-N 2 2 304.825 3.420 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000883261317 626627671 /nfs/dbraw/zinc/62/76/71/626627671.db2.gz YJSIOKLXZZLZRG-AYBZRNKSSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CC1(C)C ZINC000883261317 626627675 /nfs/dbraw/zinc/62/76/75/626627675.db2.gz YJSIOKLXZZLZRG-AYBZRNKSSA-N 2 2 301.478 3.318 20 0 DGADLP COCCC[C@@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883346688 626655401 /nfs/dbraw/zinc/65/54/01/626655401.db2.gz FETKACYLTLHDHU-VQIMIIECSA-N 2 2 317.477 3.198 20 0 DGADLP COCCC[C@@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883346688 626655404 /nfs/dbraw/zinc/65/54/04/626655404.db2.gz FETKACYLTLHDHU-VQIMIIECSA-N 2 2 317.477 3.198 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCOC1 ZINC000883353518 626657222 /nfs/dbraw/zinc/65/72/22/626657222.db2.gz WMYCOKKUJCGVSL-CJNGLKHVSA-N 2 2 305.447 3.229 20 0 DGADLP F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883381663 626667539 /nfs/dbraw/zinc/66/75/39/626667539.db2.gz QWWOGYFDGIKKOX-RBUKOAKNSA-N 2 2 322.387 3.383 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386636 626668540 /nfs/dbraw/zinc/66/85/40/626668540.db2.gz KDSNYRBROUTFEX-QZTJIDSGSA-N 2 2 321.428 3.025 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386754 626668561 /nfs/dbraw/zinc/66/85/61/626668561.db2.gz MINCYXNLKIHMHL-CRAIPNDOSA-N 2 2 309.417 3.192 20 0 DGADLP c1cn(C[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)c2ccccc2)c[nH+]1 ZINC000883388468 626669322 /nfs/dbraw/zinc/66/93/22/626669322.db2.gz VXQZTESMMCCVDU-MSOLQXFVSA-N 2 2 311.429 3.316 20 0 DGADLP Cc1ccc2c(C[N@@H+]3[C@H](C)[C@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445627 626683885 /nfs/dbraw/zinc/68/38/85/626683885.db2.gz GYOSONAIEGMGKY-FMKPAKJESA-N 2 2 314.429 3.049 20 0 DGADLP Cc1ccc2c(C[N@H+]3[C@H](C)[C@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445627 626683888 /nfs/dbraw/zinc/68/38/88/626683888.db2.gz GYOSONAIEGMGKY-FMKPAKJESA-N 2 2 314.429 3.049 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739070 626944365 /nfs/dbraw/zinc/94/43/65/626944365.db2.gz WJBNVVSTDQJPBJ-UHFFFAOYSA-N 2 2 320.868 3.076 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739070 626944368 /nfs/dbraw/zinc/94/43/68/626944368.db2.gz WJBNVVSTDQJPBJ-UHFFFAOYSA-N 2 2 320.868 3.076 20 0 DGADLP Cc1coc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000886026341 627087505 /nfs/dbraw/zinc/08/75/05/627087505.db2.gz UHTMPSUWGBOZFY-UHFFFAOYSA-N 2 2 314.433 3.126 20 0 DGADLP Cc1[nH]c(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)[nH+]c1C ZINC000886664355 627183570 /nfs/dbraw/zinc/18/35/70/627183570.db2.gz JXIJTJFFMDWAQX-UHFFFAOYSA-N 3 2 315.465 3.191 20 0 DGADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)[nH+]c1C ZINC000886668673 627184878 /nfs/dbraw/zinc/18/48/78/627184878.db2.gz XJIKKAYQLJCLTQ-ZDUSSCGKSA-N 2 2 317.437 3.474 20 0 DGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134103 627227811 /nfs/dbraw/zinc/22/78/11/627227811.db2.gz CBKBJETWVVMJSP-CABCVRRESA-N 2 2 322.412 3.495 20 0 DGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134103 627227813 /nfs/dbraw/zinc/22/78/13/627227813.db2.gz CBKBJETWVVMJSP-CABCVRRESA-N 2 2 322.412 3.495 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000812747448 627415063 /nfs/dbraw/zinc/41/50/63/627415063.db2.gz ZEQHBQUGWKBZNN-UHFFFAOYSA-N 2 2 310.482 3.107 20 0 DGADLP CC[C@H](CSC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842359 627428136 /nfs/dbraw/zinc/42/81/36/627428136.db2.gz IVNNYUGJUPIRJM-OAHLLOKOSA-N 2 2 321.534 3.453 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000813861847 627516590 /nfs/dbraw/zinc/51/65/90/627516590.db2.gz BKOSRSXTAXTGHF-RLFYNMQTSA-N 2 2 317.477 3.294 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000924531381 627645219 /nfs/dbraw/zinc/64/52/19/627645219.db2.gz GBWNTPHZXQISAO-PXNSSMCTSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000924531384 627645366 /nfs/dbraw/zinc/64/53/66/627645366.db2.gz GBWNTPHZXQISAO-YLJYHZDGSA-N 2 2 309.457 3.439 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559091 627649695 /nfs/dbraw/zinc/64/96/95/627649695.db2.gz HXHKGIQXWOEBPP-NHCUHLMSSA-N 2 2 323.484 3.309 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559091 627649700 /nfs/dbraw/zinc/64/97/00/627649700.db2.gz HXHKGIQXWOEBPP-NHCUHLMSSA-N 2 2 323.484 3.309 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)c1 ZINC000924605591 627656622 /nfs/dbraw/zinc/65/66/22/627656622.db2.gz WRWVMINLSYJZAN-UXHICEINSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)c1 ZINC000924605591 627656624 /nfs/dbraw/zinc/65/66/24/627656624.db2.gz WRWVMINLSYJZAN-UXHICEINSA-N 2 2 324.472 3.038 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(C2CCC2)c1 ZINC000924646588 627662111 /nfs/dbraw/zinc/66/21/11/627662111.db2.gz UXSGGNHQWDSTPM-CQSZACIVSA-N 2 2 313.449 3.034 20 0 DGADLP C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cn2c([nH+]1)CCCC2 ZINC000924693646 627668571 /nfs/dbraw/zinc/66/85/71/627668571.db2.gz FIZOBBFHVGDRHX-QAPCUYQASA-N 2 2 318.509 3.381 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000924733984 627674762 /nfs/dbraw/zinc/67/47/62/627674762.db2.gz XBVHEQGBRNABOX-HNNXBMFYSA-N 2 2 304.825 3.379 20 0 DGADLP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774769 627678404 /nfs/dbraw/zinc/67/84/04/627678404.db2.gz DMEGVRCQBIBWBJ-CRAIPNDOSA-N 2 2 319.424 3.431 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(Br)CC1 ZINC000924809213 627682370 /nfs/dbraw/zinc/68/23/70/627682370.db2.gz ZHWMZPQTPJURBW-GFCCVEGCSA-N 2 2 320.234 3.278 20 0 DGADLP CC1(C)CC2(CC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)CO1 ZINC000924808781 627682593 /nfs/dbraw/zinc/68/25/93/627682593.db2.gz VYJIPROZMVDSCU-UHFFFAOYSA-N 2 2 311.429 3.310 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010198 627700816 /nfs/dbraw/zinc/70/08/16/627700816.db2.gz FDGATDNHOQPEQT-KBXCAEBGSA-N 2 2 302.462 3.049 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010198 627700818 /nfs/dbraw/zinc/70/08/18/627700818.db2.gz FDGATDNHOQPEQT-KBXCAEBGSA-N 2 2 302.462 3.049 20 0 DGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000925086690 627707361 /nfs/dbraw/zinc/70/73/61/627707361.db2.gz QBTVOZXTKWRJTG-GOEBONIOSA-N 2 2 306.498 3.236 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1OCCc2sccc21)c1ccccc1 ZINC000925522219 627747122 /nfs/dbraw/zinc/74/71/22/627747122.db2.gz GSEKSDPDMDTCTQ-MJEQTWJJSA-N 2 2 302.443 3.040 20 0 DGADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1OC(F)F ZINC000925538596 627749880 /nfs/dbraw/zinc/74/98/80/627749880.db2.gz VLPCBANQIUMAAB-BZIPOHERSA-N 2 2 322.399 3.325 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1ccccc1 ZINC000925552044 627752386 /nfs/dbraw/zinc/75/23/86/627752386.db2.gz FZLOZOJENFDGAD-LNKGRISISA-N 2 2 312.457 3.219 20 0 DGADLP CC1(C)C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925611215 627762289 /nfs/dbraw/zinc/76/22/89/627762289.db2.gz KPQHMGWREAMFGI-IXDOHACOSA-N 2 2 319.493 3.302 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccco1 ZINC000925615661 627762848 /nfs/dbraw/zinc/76/28/48/627762848.db2.gz HJIFQQRMIAWKIC-LMSBXDPUSA-N 2 2 319.493 3.029 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccn2)c1 ZINC000925625445 627764492 /nfs/dbraw/zinc/76/44/92/627764492.db2.gz FLAAOQBRWMOEQZ-OTWHNJEPSA-N 2 2 307.441 3.339 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000925678538 627775426 /nfs/dbraw/zinc/77/54/26/627775426.db2.gz VPDNMSBJQBNORY-BLLLJJGKSA-N 2 2 323.362 3.321 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925689191 627777543 /nfs/dbraw/zinc/77/75/43/627777543.db2.gz BOMUGAPZNQYMAA-HZPDHXFCSA-N 2 2 310.482 3.105 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925689191 627777547 /nfs/dbraw/zinc/77/75/47/627777547.db2.gz BOMUGAPZNQYMAA-HZPDHXFCSA-N 2 2 310.482 3.105 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1ccccc1 ZINC000925702439 627778968 /nfs/dbraw/zinc/77/89/68/627778968.db2.gz CWWRKXAPZZRMNE-YEWWUXTCSA-N 2 2 314.454 3.218 20 0 DGADLP Fc1ccc2onc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)c2c1 ZINC000925734735 627784286 /nfs/dbraw/zinc/78/42/86/627784286.db2.gz RDHWQMHIPZYKQX-HOTGVXAUSA-N 2 2 317.408 3.225 20 0 DGADLP Cc1ccc(C)c([C@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925752420 627787812 /nfs/dbraw/zinc/78/78/12/627787812.db2.gz UZWRKAYLJICWRM-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1ccc(C)c([C@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925752420 627787813 /nfs/dbraw/zinc/78/78/13/627787813.db2.gz UZWRKAYLJICWRM-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000925757047 627789671 /nfs/dbraw/zinc/78/96/71/627789671.db2.gz RLSHXCWOLHMCEF-GFCCVEGCSA-N 2 2 310.413 3.107 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1F ZINC000925781614 627794447 /nfs/dbraw/zinc/79/44/47/627794447.db2.gz ISRGGXHUMGOJRK-YGRLFVJLSA-N 2 2 304.331 3.250 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925795879 627797444 /nfs/dbraw/zinc/79/74/44/627797444.db2.gz QRUKZXMZABOHTB-CZUORRHYSA-N 2 2 308.853 3.149 20 0 DGADLP c1cc(C[N@@H+]2CCC3(CCCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000817275118 627875894 /nfs/dbraw/zinc/87/58/94/627875894.db2.gz WFCQXMSORWGFFB-UHFFFAOYSA-N 2 2 314.473 3.285 20 0 DGADLP c1cc(C[N@H+]2CCC3(CCCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000817275118 627875899 /nfs/dbraw/zinc/87/58/99/627875899.db2.gz WFCQXMSORWGFFB-UHFFFAOYSA-N 2 2 314.473 3.285 20 0 DGADLP CSC1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000926332266 627881278 /nfs/dbraw/zinc/88/12/78/627881278.db2.gz VQEZBFYDCHQYLJ-UHFFFAOYSA-N 2 2 322.440 3.275 20 0 DGADLP OC[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926428086 627894125 /nfs/dbraw/zinc/89/41/25/627894125.db2.gz GMFUJFWORPWSQD-SZMVWBNQSA-N 2 2 322.880 3.022 20 0 DGADLP OC[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926428086 627894129 /nfs/dbraw/zinc/89/41/29/627894129.db2.gz GMFUJFWORPWSQD-SZMVWBNQSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1csc2ccccc21 ZINC000926503267 627905782 /nfs/dbraw/zinc/90/57/82/627905782.db2.gz KWEBENZKEBZZQU-CABCVRRESA-N 2 2 318.486 3.399 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1csc2ccccc21 ZINC000926503267 627905784 /nfs/dbraw/zinc/90/57/84/627905784.db2.gz KWEBENZKEBZZQU-CABCVRRESA-N 2 2 318.486 3.399 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714815 627938762 /nfs/dbraw/zinc/93/87/62/627938762.db2.gz HTIGIOUFAOOIJH-RTWAWAEBSA-N 2 2 323.484 3.309 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714815 627938764 /nfs/dbraw/zinc/93/87/64/627938764.db2.gz HTIGIOUFAOOIJH-RTWAWAEBSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1coc2ccccc12 ZINC000926718748 627939171 /nfs/dbraw/zinc/93/91/71/627939171.db2.gz MZXHGZKYXZCBES-HOCLYGCPSA-N 2 2 314.429 3.337 20 0 DGADLP C([NH2+][C@H](C1CC1)[C@H]1CCCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746743 627945920 /nfs/dbraw/zinc/94/59/20/627945920.db2.gz SZFLKEMJRUKSIQ-QXAKKESOSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@H](C1CC1)[C@H]1CCCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746743 627945924 /nfs/dbraw/zinc/94/59/24/627945924.db2.gz SZFLKEMJRUKSIQ-QXAKKESOSA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000817892736 627953463 /nfs/dbraw/zinc/95/34/63/627953463.db2.gz BXGZIDMYKLULDO-QLFBSQMISA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817905783 627957873 /nfs/dbraw/zinc/95/78/73/627957873.db2.gz SXLDOHLLLAHFSH-VCTAVGKDSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H](O)c1c(Cl)cccc1Cl ZINC000817919760 627961175 /nfs/dbraw/zinc/96/11/75/627961175.db2.gz VUUYWPAZHXTLJQ-MJVIGCOGSA-N 2 2 317.260 3.145 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926721 627963282 /nfs/dbraw/zinc/96/32/82/627963282.db2.gz SUGDEKJEYOWHRJ-GRYCIOLGSA-N 2 2 301.217 3.286 20 0 DGADLP Cc1cc(F)ccc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000817953491 627973221 /nfs/dbraw/zinc/97/32/21/627973221.db2.gz PSORJQNEBPNJBA-CQSZACIVSA-N 2 2 314.408 3.112 20 0 DGADLP COCc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1OC ZINC000817954345 627973631 /nfs/dbraw/zinc/97/36/31/627973631.db2.gz CBOMZNVUBSYCQQ-KBXCAEBGSA-N 2 2 314.429 3.192 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)O1 ZINC000926904662 627975810 /nfs/dbraw/zinc/97/58/10/627975810.db2.gz IAJYQJXOKMNSNK-BARDWOONSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)O1 ZINC000926904662 627975815 /nfs/dbraw/zinc/97/58/15/627975815.db2.gz IAJYQJXOKMNSNK-BARDWOONSA-N 2 2 320.399 3.093 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000926961922 627990993 /nfs/dbraw/zinc/99/09/93/627990993.db2.gz PVFHPNJEGOJYAN-AAEUAGOBSA-N 2 2 302.821 3.096 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000927105713 628015543 /nfs/dbraw/zinc/01/55/43/628015543.db2.gz GPHABSRIDOWINW-PXNSSMCTSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000927105713 628015547 /nfs/dbraw/zinc/01/55/47/628015547.db2.gz GPHABSRIDOWINW-PXNSSMCTSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccccc3C)CC2)c(C)[nH+]1 ZINC000929204206 628225389 /nfs/dbraw/zinc/22/53/89/628225389.db2.gz TXKTUHSQNYNHMT-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)[nH+]1 ZINC000929204206 628225397 /nfs/dbraw/zinc/22/53/97/628225397.db2.gz TXKTUHSQNYNHMT-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807829 628299063 /nfs/dbraw/zinc/29/90/63/628299063.db2.gz RWLQLIAJCDQDSF-IPELMVKDSA-N 3 2 301.478 3.026 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807829 628299064 /nfs/dbraw/zinc/29/90/64/628299064.db2.gz RWLQLIAJCDQDSF-IPELMVKDSA-N 3 2 301.478 3.026 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807832 628299098 /nfs/dbraw/zinc/29/90/98/628299098.db2.gz RWLQLIAJCDQDSF-ZYSHUDEJSA-N 3 2 301.478 3.026 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807832 628299101 /nfs/dbraw/zinc/29/91/01/628299101.db2.gz RWLQLIAJCDQDSF-ZYSHUDEJSA-N 3 2 301.478 3.026 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000831982072 629433299 /nfs/dbraw/zinc/43/32/99/629433299.db2.gz RWPWPFZXIOBEAM-ROUUACIJSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000831982072 629433302 /nfs/dbraw/zinc/43/33/02/629433302.db2.gz RWPWPFZXIOBEAM-ROUUACIJSA-N 2 2 322.880 3.324 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000834830306 629786011 /nfs/dbraw/zinc/78/60/11/629786011.db2.gz BQKXAPKCMOGXLS-OKYOBFRVSA-N 2 2 322.456 3.113 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000834830306 629786013 /nfs/dbraw/zinc/78/60/13/629786013.db2.gz BQKXAPKCMOGXLS-OKYOBFRVSA-N 2 2 322.456 3.113 20 0 DGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc4[nH+]ccn43)ccc21 ZINC000836881967 630178832 /nfs/dbraw/zinc/17/88/32/630178832.db2.gz TXVBZKDUGXZCAU-MRXNPFEDSA-N 2 2 320.396 3.136 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000841064387 630403901 /nfs/dbraw/zinc/40/39/01/630403901.db2.gz BCRVAEXDDXSKRR-OAHLLOKOSA-N 2 2 316.420 3.492 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000841100627 630408133 /nfs/dbraw/zinc/40/81/33/630408133.db2.gz JGMMBCVMKFFZGF-GXTWGEPZSA-N 2 2 312.889 3.062 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000841100627 630408137 /nfs/dbraw/zinc/40/81/37/630408137.db2.gz JGMMBCVMKFFZGF-GXTWGEPZSA-N 2 2 312.889 3.062 20 0 DGADLP CC(C)[C@@H]([NH3+])c1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000843151632 630621405 /nfs/dbraw/zinc/62/14/05/630621405.db2.gz APCUYLCHNVTJNR-HUUCEWRRSA-N 2 2 300.406 3.063 20 0 DGADLP CC(C)[C@@H]([NH3+])c1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000843151632 630621408 /nfs/dbraw/zinc/62/14/08/630621408.db2.gz APCUYLCHNVTJNR-HUUCEWRRSA-N 2 2 300.406 3.063 20 0 DGADLP CC[NH+](CC)[C@@H](c1nc([C@H]([NH3+])C(C)C)no1)c1ccccc1 ZINC000843155666 630622595 /nfs/dbraw/zinc/62/25/95/630622595.db2.gz WZCVVFKVKJQSBW-HUUCEWRRSA-N 2 2 302.422 3.157 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc2ccccc2c1 ZINC000843361640 630649973 /nfs/dbraw/zinc/64/99/73/630649973.db2.gz IVARRJDORFLSNS-JLYLLQBASA-N 2 2 323.440 3.123 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc2ccccc2c1 ZINC000843361640 630649976 /nfs/dbraw/zinc/64/99/76/630649976.db2.gz IVARRJDORFLSNS-JLYLLQBASA-N 2 2 323.440 3.123 20 0 DGADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000845927995 631202531 /nfs/dbraw/zinc/20/25/31/631202531.db2.gz LDXXMTJWXAEJLK-UHFFFAOYSA-N 2 2 324.440 3.195 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)c2)[nH+]c1C ZINC000846674309 631283878 /nfs/dbraw/zinc/28/38/78/631283878.db2.gz WOOCMVPGTHUQLD-SJORKVTESA-N 2 2 324.428 3.163 20 0 DGADLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848537829 631682976 /nfs/dbraw/zinc/68/29/76/631682976.db2.gz OOUAURMJTAZOSY-GOSISDBHSA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849013790 631806900 /nfs/dbraw/zinc/80/69/00/631806900.db2.gz HNEWHDSFUCJXKR-XJKSGUPXSA-N 2 2 322.884 3.389 20 0 DGADLP [NH2+]=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC1CCCC1 ZINC000849031908 631813434 /nfs/dbraw/zinc/81/34/34/631813434.db2.gz AIEWCWDJQYBCJO-UHFFFAOYSA-N 2 2 317.824 3.082 20 0 DGADLP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000849091454 631832343 /nfs/dbraw/zinc/83/23/43/631832343.db2.gz GNXYGEXMOVVZTO-CJNGLKHVSA-N 2 2 322.884 3.199 20 0 DGADLP [NH2+]=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC1CCC1 ZINC000849111190 631838227 /nfs/dbraw/zinc/83/82/27/631838227.db2.gz UUAFDHSUGYXRFJ-INIZCTEOSA-N 2 2 320.868 3.143 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486499 632007592 /nfs/dbraw/zinc/00/75/92/632007592.db2.gz HSNQQJVWBDYUKX-PKOBYXMFSA-N 3 2 303.494 3.321 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000850174784 632072118 /nfs/dbraw/zinc/07/21/18/632072118.db2.gz UQUAZIITHOUQSW-ZIAGYGMSSA-N 2 2 316.367 3.390 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC(C)(C)F)CC2)cc1 ZINC000850373968 632129948 /nfs/dbraw/zinc/12/99/48/632129948.db2.gz FVPYHQKHMSISPH-UHFFFAOYSA-N 2 2 307.457 3.449 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001036114167 660875922 /nfs/dbraw/zinc/87/59/22/660875922.db2.gz BIRNAVRVSMHJKT-WMLDXEAASA-N 2 2 317.477 3.103 20 0 DGADLP CCSc1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929658363 661325457 /nfs/dbraw/zinc/32/54/57/661325457.db2.gz UUMMOXVDEGGEGB-UHFFFAOYSA-N 2 2 322.518 3.077 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@H](OC)C3)cc2)CC1 ZINC000792841801 660988241 /nfs/dbraw/zinc/98/82/41/660988241.db2.gz PCWOFXIGKOXVMH-HKUYNNGSSA-N 2 2 317.477 3.198 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000792945866 660996063 /nfs/dbraw/zinc/99/60/63/660996063.db2.gz NBYBQKOKNKMTPE-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000792977032 660997923 /nfs/dbraw/zinc/99/79/23/660997923.db2.gz HTYLBFRXDZFDHE-KRWDZBQOSA-N 2 2 320.452 3.121 20 0 DGADLP C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000892750089 656035095 /nfs/dbraw/zinc/03/50/95/656035095.db2.gz SZGSJOJKYBZAPD-UKRRQHHQSA-N 2 2 320.234 3.135 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000190743062 656162629 /nfs/dbraw/zinc/16/26/29/656162629.db2.gz LICJKDAQGZWUQD-UHFFFAOYSA-N 2 2 314.832 3.395 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000981236306 656655719 /nfs/dbraw/zinc/65/57/19/656655719.db2.gz UXGCFQIFSOAALA-HZPDHXFCSA-N 2 2 303.450 3.046 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261634477 656936696 /nfs/dbraw/zinc/93/66/96/656936696.db2.gz IAJDOJZDPCCJPU-TZMCWYRMSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261634477 656936701 /nfs/dbraw/zinc/93/67/01/656936701.db2.gz IAJDOJZDPCCJPU-TZMCWYRMSA-N 2 2 316.392 3.482 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377039 657443304 /nfs/dbraw/zinc/44/33/04/657443304.db2.gz DSHMQOSLRUMIMM-RDJZCZTQSA-N 2 2 318.509 3.326 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377039 657443307 /nfs/dbraw/zinc/44/33/07/657443307.db2.gz DSHMQOSLRUMIMM-RDJZCZTQSA-N 2 2 318.509 3.326 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305116388 657681967 /nfs/dbraw/zinc/68/19/67/657681967.db2.gz ICILIISSWSEVGR-DYVFJYSZSA-N 2 2 313.426 3.318 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228286 658100702 /nfs/dbraw/zinc/10/07/02/658100702.db2.gz RLYQLXCZARWYPM-IPELMVKDSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228286 658100708 /nfs/dbraw/zinc/10/07/08/658100708.db2.gz RLYQLXCZARWYPM-IPELMVKDSA-N 2 2 316.489 3.498 20 0 DGADLP CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016741769 658324142 /nfs/dbraw/zinc/32/41/42/658324142.db2.gz DGAJUGHCXGATBP-INIZCTEOSA-N 2 2 315.461 3.001 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000322443304 658521305 /nfs/dbraw/zinc/52/13/05/658521305.db2.gz SDNRADMXQADKDK-INIZCTEOSA-N 2 2 312.461 3.396 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(F)c2Br)C[C@@H]1C[NH3+] ZINC000163878185 658906148 /nfs/dbraw/zinc/90/61/48/658906148.db2.gz JKHXKCRPAPWIQF-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2Br)C[C@@H]1C[NH3+] ZINC000163878185 658906150 /nfs/dbraw/zinc/90/61/50/658906150.db2.gz JKHXKCRPAPWIQF-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccccc1 ZINC000057887630 659033504 /nfs/dbraw/zinc/03/35/04/659033504.db2.gz BYEKXINYTMRKCV-UHFFFAOYSA-N 2 2 305.385 3.068 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157671968 659082285 /nfs/dbraw/zinc/08/22/85/659082285.db2.gz ZAWWTMLVISXWTA-QZTJIDSGSA-N 2 2 300.446 3.147 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157671968 659082291 /nfs/dbraw/zinc/08/22/91/659082291.db2.gz ZAWWTMLVISXWTA-QZTJIDSGSA-N 2 2 300.446 3.147 20 0 DGADLP Cc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000174564706 659438925 /nfs/dbraw/zinc/43/89/25/659438925.db2.gz IBNKTFZGYGQNSG-UHFFFAOYSA-N 2 2 313.445 3.413 20 0 DGADLP CC[C@@H]1C[C@H]1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929797676 659605426 /nfs/dbraw/zinc/60/54/26/659605426.db2.gz KNHXDPZENFPGAP-SJORKVTESA-N 2 2 301.478 3.066 20 0 DGADLP CC[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929797676 659605431 /nfs/dbraw/zinc/60/54/31/659605431.db2.gz KNHXDPZENFPGAP-SJORKVTESA-N 2 2 301.478 3.066 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000237650803 659934277 /nfs/dbraw/zinc/93/42/77/659934277.db2.gz VACSKKUCIWSRGQ-UHFFFAOYSA-N 2 2 317.396 3.347 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(CO)c1 ZINC000183238066 660105904 /nfs/dbraw/zinc/10/59/04/660105904.db2.gz YBBVEPHXPARHSY-HNNXBMFYSA-N 2 2 307.397 3.215 20 0 DGADLP CCSc1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929658363 661325455 /nfs/dbraw/zinc/32/54/55/661325455.db2.gz UUMMOXVDEGGEGB-UHFFFAOYSA-N 2 2 322.518 3.077 20 0 DGADLP Cc1[nH]c(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(C)[nH+]1 ZINC000930320373 661388661 /nfs/dbraw/zinc/38/86/61/661388661.db2.gz KGVSRDMGFICMES-VKJFTORMSA-N 2 2 303.450 3.196 20 0 DGADLP Cc1[nH]c(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(C)[nH+]1 ZINC000930320373 661388663 /nfs/dbraw/zinc/38/86/63/661388663.db2.gz KGVSRDMGFICMES-VKJFTORMSA-N 2 2 303.450 3.196 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374757 661393589 /nfs/dbraw/zinc/39/35/89/661393589.db2.gz YBAYYFDLCYZFDY-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374757 661393592 /nfs/dbraw/zinc/39/35/92/661393592.db2.gz YBAYYFDLCYZFDY-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374757 661393593 /nfs/dbraw/zinc/39/35/93/661393593.db2.gz YBAYYFDLCYZFDY-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374757 661393595 /nfs/dbraw/zinc/39/35/95/661393595.db2.gz YBAYYFDLCYZFDY-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1[nH]c(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c(C)[nH+]1 ZINC000930579237 661412385 /nfs/dbraw/zinc/41/23/85/661412385.db2.gz CIADAURHQAAPFM-UHFFFAOYSA-N 2 2 317.408 3.047 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](Cc3cc(F)cc4cccnc43)C[C@@]2(C)C1 ZINC000931307012 661465898 /nfs/dbraw/zinc/46/58/98/661465898.db2.gz NFVAPRWSLDCCSS-RTBURBONSA-N 2 2 313.420 3.148 20 0 DGADLP COc1cccc(SCC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000931319197 661467044 /nfs/dbraw/zinc/46/70/44/661467044.db2.gz XMOZRYINFWFTBY-ROUUACIJSA-N 2 2 320.502 3.061 20 0 DGADLP C1=CO[C@H](C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000194435788 662165623 /nfs/dbraw/zinc/16/56/23/662165623.db2.gz GCGGFKFLPRQPFY-INIZCTEOSA-N 2 2 310.507 3.020 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000378883469 685145599 /nfs/dbraw/zinc/14/55/99/685145599.db2.gz JPWVXHRMQZXTQT-QGZVFWFLSA-N 2 2 301.478 3.119 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000390318160 685200593 /nfs/dbraw/zinc/20/05/93/685200593.db2.gz XFVQIUIEUVIEBB-DYVFJYSZSA-N 2 2 315.417 3.377 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001072327257 686903015 /nfs/dbraw/zinc/90/30/15/686903015.db2.gz DSEGXYYOLYVGRR-CXAGYDPISA-N 2 2 317.477 3.103 20 0 DGADLP COc1nsc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1Cl ZINC001620780078 1191862979 /nfs/dbraw/zinc/86/29/79/1191862979.db2.gz YKAQKKXCOSUJMB-LLVKDONJSA-N 2 2 317.886 3.015 20 0 DGADLP COc1nsc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1Cl ZINC001620780078 1191862982 /nfs/dbraw/zinc/86/29/82/1191862982.db2.gz YKAQKKXCOSUJMB-LLVKDONJSA-N 2 2 317.886 3.015 20 0 DGADLP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccc(Cl)nc1Cl ZINC001576690291 1191863821 /nfs/dbraw/zinc/86/38/21/1191863821.db2.gz IUPVIJBJNCUHNF-QMTHXVAHSA-N 2 2 302.249 3.386 20 0 DGADLP CCC(CC)(C[NH3+])C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001577050727 1191881334 /nfs/dbraw/zinc/88/13/34/1191881334.db2.gz ATTNHHBJUXZGLI-CYBMUJFWSA-N 2 2 310.404 3.183 20 0 DGADLP CCC(CC)(C[NH3+])C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001577050727 1191881335 /nfs/dbraw/zinc/88/13/35/1191881335.db2.gz ATTNHHBJUXZGLI-CYBMUJFWSA-N 2 2 310.404 3.183 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC001577124746 1191884892 /nfs/dbraw/zinc/88/48/92/1191884892.db2.gz OKQCAQPLHXMEHQ-GFCCVEGCSA-N 2 2 301.217 3.096 20 0 DGADLP CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CCC(C)(C)C ZINC001577182714 1191887706 /nfs/dbraw/zinc/88/77/06/1191887706.db2.gz RIQUVTKQXYZIJK-QZTJIDSGSA-N 2 2 306.494 3.413 20 0 DGADLP CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]([NH3+])CCC(C)(C)C ZINC001577182714 1191887708 /nfs/dbraw/zinc/88/77/08/1191887708.db2.gz RIQUVTKQXYZIJK-QZTJIDSGSA-N 2 2 306.494 3.413 20 0 DGADLP COc1ccccc1OCC[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579309519 1191973840 /nfs/dbraw/zinc/97/38/40/1191973840.db2.gz GQUZNAWBHXXUDD-OAHLLOKOSA-N 2 2 308.466 3.159 20 0 DGADLP COc1ccccc1OCC[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC001579309519 1191973841 /nfs/dbraw/zinc/97/38/41/1191973841.db2.gz GQUZNAWBHXXUDD-OAHLLOKOSA-N 2 2 308.466 3.159 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CCC[NH2+]C(C)C)s1 ZINC001579550383 1191979735 /nfs/dbraw/zinc/97/97/35/1191979735.db2.gz YZNDDLJWNQCPQL-UHFFFAOYSA-N 2 2 305.285 3.297 20 0 DGADLP Cc1cc(C)c2cc(N[C@H]3C[C@H]([NH3+])C34CCOCC4)ccc2[nH+]1 ZINC001579576930 1191980254 /nfs/dbraw/zinc/98/02/54/1191980254.db2.gz SNBCQLHSBUYGBJ-ROUUACIJSA-N 2 2 311.429 3.160 20 0 DGADLP Clc1cccc(OCCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001579938449 1192000021 /nfs/dbraw/zinc/00/00/21/1192000021.db2.gz GJMFHMMGNOQYGX-QGZVFWFLSA-N 2 2 308.853 3.327 20 0 DGADLP Clc1cccc(OCCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001579938449 1192000023 /nfs/dbraw/zinc/00/00/23/1192000023.db2.gz GJMFHMMGNOQYGX-QGZVFWFLSA-N 2 2 308.853 3.327 20 0 DGADLP [NH3+]Cc1cccc(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC001580342983 1192022645 /nfs/dbraw/zinc/02/26/45/1192022645.db2.gz RTYOODXWXRDQPD-UHFFFAOYSA-N 2 2 309.388 3.324 20 0 DGADLP [NH3+]Cc1cccc(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC001580342983 1192022648 /nfs/dbraw/zinc/02/26/48/1192022648.db2.gz RTYOODXWXRDQPD-UHFFFAOYSA-N 2 2 309.388 3.324 20 0 DGADLP [NH3+]Cc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001580343042 1192022751 /nfs/dbraw/zinc/02/27/51/1192022751.db2.gz VFXWTGIUHXYMTE-KRWDZBQOSA-N 2 2 320.396 3.029 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001580404670 1192025476 /nfs/dbraw/zinc/02/54/76/1192025476.db2.gz KGVKWUYAYUGKRI-HZPDHXFCSA-N 2 2 306.331 3.420 20 0 DGADLP Brc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001620826399 1192228478 /nfs/dbraw/zinc/22/84/78/1192228478.db2.gz HPMBLDFWYZSOFL-UHFFFAOYSA-N 2 2 320.234 3.436 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001662511410 1196727142 /nfs/dbraw/zinc/72/71/42/1196727142.db2.gz BQXNJXKPBUCHAD-SQNIBIBYSA-N 2 2 310.526 3.418 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001662511410 1196727145 /nfs/dbraw/zinc/72/71/45/1196727145.db2.gz BQXNJXKPBUCHAD-SQNIBIBYSA-N 2 2 310.526 3.418 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+]C3CCSCC3)CC2)c1 ZINC000079751195 1176049505 /nfs/dbraw/zinc/04/95/05/1176049505.db2.gz PPTMTJGKBNYWDR-UHFFFAOYSA-N 2 2 320.502 3.145 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1C)[C@@H]1CCC[NH2+]C1 ZINC000395142508 1176758266 /nfs/dbraw/zinc/75/82/66/1176758266.db2.gz ZIQBMWAIAKFSPL-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1C)[C@@H]1CCC[NH2+]C1 ZINC000395142508 1176758272 /nfs/dbraw/zinc/75/82/72/1176758272.db2.gz ZIQBMWAIAKFSPL-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC(C)=CC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001752473811 1176852546 /nfs/dbraw/zinc/85/25/46/1176852546.db2.gz NDMQOMQFRULNAJ-QGZVFWFLSA-N 2 2 315.461 3.071 20 0 DGADLP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689788 1177804165 /nfs/dbraw/zinc/80/41/65/1177804165.db2.gz LDWLTAVEBPTCSB-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP CC(C)c1cc([C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)[nH]n1 ZINC001331174678 1178148564 /nfs/dbraw/zinc/14/85/64/1178148564.db2.gz ZRERFWZLBRZOGI-HNNXBMFYSA-N 2 2 315.465 3.079 20 0 DGADLP CC(C)c1cc([C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)[nH]n1 ZINC001331174678 1178148569 /nfs/dbraw/zinc/14/85/69/1178148569.db2.gz ZRERFWZLBRZOGI-HNNXBMFYSA-N 2 2 315.465 3.079 20 0 DGADLP CC(C)c1cc([C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n[nH]1 ZINC001331174678 1178148575 /nfs/dbraw/zinc/14/85/75/1178148575.db2.gz ZRERFWZLBRZOGI-HNNXBMFYSA-N 2 2 315.465 3.079 20 0 DGADLP CC(C)c1cc([C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n[nH]1 ZINC001331174678 1178148580 /nfs/dbraw/zinc/14/85/80/1178148580.db2.gz ZRERFWZLBRZOGI-HNNXBMFYSA-N 2 2 315.465 3.079 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]([NH2+]CCCF)C(C)C)c(C)[nH+]1 ZINC001331212527 1178156341 /nfs/dbraw/zinc/15/63/41/1178156341.db2.gz VCYHPZHWXJTKCO-MRXNPFEDSA-N 2 2 323.456 3.101 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001331688546 1178269890 /nfs/dbraw/zinc/26/98/90/1178269890.db2.gz BFMROVSBJCIPNB-KRWDZBQOSA-N 2 2 324.472 3.267 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)[nH+]c1C ZINC001333257207 1178577519 /nfs/dbraw/zinc/57/75/19/1178577519.db2.gz LBWMNQVMNDPDBP-IRXDYDNUSA-N 2 2 324.428 3.163 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001333705115 1178656852 /nfs/dbraw/zinc/65/68/52/1178656852.db2.gz CCJUTXMHQUVMOO-CQSZACIVSA-N 2 2 316.449 3.160 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC001334217816 1178736268 /nfs/dbraw/zinc/73/62/68/1178736268.db2.gz PRJCTSZNJLPSSV-INIZCTEOSA-N 2 2 324.472 3.149 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC001334217816 1178736272 /nfs/dbraw/zinc/73/62/72/1178736272.db2.gz PRJCTSZNJLPSSV-INIZCTEOSA-N 2 2 324.472 3.149 20 0 DGADLP Fc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001335390531 1178903601 /nfs/dbraw/zinc/90/36/01/1178903601.db2.gz KEXYGBOHKSUUPW-UHFFFAOYSA-N 2 2 313.351 3.483 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]CCc1ccc(F)cc1F)c1cccnc1 ZINC001335559815 1178930906 /nfs/dbraw/zinc/93/09/06/1178930906.db2.gz GPWCYRPVWLKQLO-GOSISDBHSA-N 2 2 319.399 3.185 20 0 DGADLP CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001341685824 1179048457 /nfs/dbraw/zinc/04/84/57/1179048457.db2.gz YOWKGLKVUGAAFR-KRWDZBQOSA-N 2 2 300.406 3.026 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc2)[nH+]c1C ZINC001342456035 1179142641 /nfs/dbraw/zinc/14/26/41/1179142641.db2.gz WOHSLOOFMWQAMW-HNNXBMFYSA-N 2 2 314.433 3.396 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccoc1C1CC1 ZINC001344536202 1179448230 /nfs/dbraw/zinc/44/82/30/1179448230.db2.gz VZJBSRGGAXJLGO-UHFFFAOYSA-N 2 2 308.341 3.298 20 0 DGADLP Nc1c(F)cccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001621046041 1192957253 /nfs/dbraw/zinc/95/72/53/1192957253.db2.gz QMJMUPAEZUYSDJ-KRWDZBQOSA-N 2 2 310.376 3.136 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001200113996 1180386444 /nfs/dbraw/zinc/38/64/44/1180386444.db2.gz DTMPWFZLVJYIGB-LBPRGKRZSA-N 2 2 316.430 3.334 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001353605847 1180605124 /nfs/dbraw/zinc/60/51/24/1180605124.db2.gz XLAOORRHOXBZOU-UHFFFAOYSA-N 2 2 304.482 3.158 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cnn1C ZINC001353899927 1180679301 /nfs/dbraw/zinc/67/93/01/1180679301.db2.gz RUNLYWVRKJQHEG-ZIAGYGMSSA-N 2 2 309.417 3.326 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125120 1193051085 /nfs/dbraw/zinc/05/10/85/1193051085.db2.gz LUVRTXWOMXOFOE-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125120 1193051074 /nfs/dbraw/zinc/05/10/74/1193051074.db2.gz LUVRTXWOMXOFOE-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125120 1193051078 /nfs/dbraw/zinc/05/10/78/1193051078.db2.gz LUVRTXWOMXOFOE-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125120 1193051082 /nfs/dbraw/zinc/05/10/82/1193051082.db2.gz LUVRTXWOMXOFOE-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP Cc1cc(NC(=O)C[N@@H+](C)CC(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001443310639 1182099485 /nfs/dbraw/zinc/09/94/85/1182099485.db2.gz KMWORSXPPLQDHI-UHFFFAOYSA-N 2 2 314.433 3.097 20 0 DGADLP Cc1cc(NC(=O)C[N@H+](C)CC(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001443310639 1182099490 /nfs/dbraw/zinc/09/94/90/1182099490.db2.gz KMWORSXPPLQDHI-UHFFFAOYSA-N 2 2 314.433 3.097 20 0 DGADLP COc1cccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1C ZINC001444205536 1182116659 /nfs/dbraw/zinc/11/66/59/1182116659.db2.gz LNBHSMIYQIYRRK-UHFFFAOYSA-N 2 2 322.368 3.145 20 0 DGADLP CCc1cc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)nc(C)[nH+]1 ZINC001458718303 1182549995 /nfs/dbraw/zinc/54/99/95/1182549995.db2.gz MFHUSLARNQLZMA-MRXNPFEDSA-N 2 2 316.836 3.152 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)C[C@H]21 ZINC001460563800 1182696355 /nfs/dbraw/zinc/69/63/55/1182696355.db2.gz ZNHZAFNAQKFOLN-BWTSREIZSA-N 2 2 316.489 3.245 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)C[C@H]21 ZINC001460563800 1182696358 /nfs/dbraw/zinc/69/63/58/1182696358.db2.gz ZNHZAFNAQKFOLN-BWTSREIZSA-N 2 2 316.489 3.245 20 0 DGADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001460689338 1182707965 /nfs/dbraw/zinc/70/79/65/1182707965.db2.gz HTWHRLXMKLAHAT-LJQANCHMSA-N 2 2 307.397 3.423 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001460969471 1182747533 /nfs/dbraw/zinc/74/75/33/1182747533.db2.gz BESNEXZMFICXPD-CYBMUJFWSA-N 2 2 318.421 3.014 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001460969471 1182747538 /nfs/dbraw/zinc/74/75/38/1182747538.db2.gz BESNEXZMFICXPD-CYBMUJFWSA-N 2 2 318.421 3.014 20 0 DGADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974842 1182749490 /nfs/dbraw/zinc/74/94/90/1182749490.db2.gz PFXCYWDKYQIYBG-PMPSAXMXSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974842 1182749495 /nfs/dbraw/zinc/74/94/95/1182749495.db2.gz PFXCYWDKYQIYBG-PMPSAXMXSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc3ccccc3s2)C[C@@H](C)O1 ZINC001461014675 1182755859 /nfs/dbraw/zinc/75/58/59/1182755859.db2.gz UZUUQUUHNZVKBK-HUUCEWRRSA-N 2 2 318.486 3.490 20 0 DGADLP CCC(CC)[C@H](CNCc1cccc2[nH+]ccn21)[NH+]1CCCC1 ZINC001461031585 1182758436 /nfs/dbraw/zinc/75/84/36/1182758436.db2.gz NSGFPZXBTZZRMH-SFHVURJKSA-N 2 2 314.477 3.325 20 0 DGADLP CC[NH+]1CCC(C[NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001462023822 1182897489 /nfs/dbraw/zinc/89/74/89/1182897489.db2.gz QXYGVANUMVHQKB-INIZCTEOSA-N 2 2 312.498 3.064 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C12CCCC2 ZINC001462488349 1182961472 /nfs/dbraw/zinc/96/14/72/1182961472.db2.gz QTRWCOWTYKSEDB-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C12CCCC2 ZINC001462488349 1182961474 /nfs/dbraw/zinc/96/14/74/1182961474.db2.gz QTRWCOWTYKSEDB-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC001462672166 1182984822 /nfs/dbraw/zinc/98/48/22/1182984822.db2.gz WBBOFOXXJWBJBA-UHFFFAOYSA-N 2 2 324.403 3.487 20 0 DGADLP CC(C)C[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)[NH+](C)C ZINC001472650038 1183660858 /nfs/dbraw/zinc/66/08/58/1183660858.db2.gz GXIWSPLRAPZDPI-AWEZNQCLSA-N 2 2 311.433 3.271 20 0 DGADLP CCc1nc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001472719914 1183672348 /nfs/dbraw/zinc/67/23/48/1183672348.db2.gz ARLNPYLQOALBTH-GOSISDBHSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001472719914 1183672352 /nfs/dbraw/zinc/67/23/52/1183672352.db2.gz ARLNPYLQOALBTH-GOSISDBHSA-N 2 2 324.472 3.448 20 0 DGADLP CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001473482999 1183762707 /nfs/dbraw/zinc/76/27/07/1183762707.db2.gz JCTNSEBGLCRHPG-HKUYNNGSSA-N 2 2 313.445 3.474 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001473928514 1183830428 /nfs/dbraw/zinc/83/04/28/1183830428.db2.gz QPCVMBGJRLXJSW-HNNXBMFYSA-N 2 2 308.385 3.249 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001473931285 1183831847 /nfs/dbraw/zinc/83/18/47/1183831847.db2.gz IXVGWKRYDRGMAA-QRQLOZEOSA-N 2 2 308.510 3.293 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001473931285 1183831849 /nfs/dbraw/zinc/83/18/49/1183831849.db2.gz IXVGWKRYDRGMAA-QRQLOZEOSA-N 2 2 308.510 3.293 20 0 DGADLP Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cnc1Cl ZINC001473979197 1183842364 /nfs/dbraw/zinc/84/23/64/1183842364.db2.gz YXFNEXAQNROZTD-UHFFFAOYSA-N 2 2 304.825 3.420 20 0 DGADLP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474108109 1183868868 /nfs/dbraw/zinc/86/88/68/1183868868.db2.gz GDLXWTUQKVMYEV-UONOGXRCSA-N 2 2 319.518 3.374 20 0 DGADLP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001474108109 1183868874 /nfs/dbraw/zinc/86/88/74/1183868874.db2.gz GDLXWTUQKVMYEV-UONOGXRCSA-N 2 2 319.518 3.374 20 0 DGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]C[C@H]1CC=CCC1 ZINC001474180768 1183878780 /nfs/dbraw/zinc/87/87/80/1183878780.db2.gz QYIHYDACZZBDNI-HNNXBMFYSA-N 2 2 304.434 3.404 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2O1 ZINC001474195359 1183880015 /nfs/dbraw/zinc/88/00/15/1183880015.db2.gz SSORQXFYWQVZSR-KGLIPLIRSA-N 2 2 324.371 3.115 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2O1 ZINC001474195359 1183880021 /nfs/dbraw/zinc/88/00/21/1183880021.db2.gz SSORQXFYWQVZSR-KGLIPLIRSA-N 2 2 324.371 3.115 20 0 DGADLP CCO[C@H](C[NH2+]C/C=C\c1cc(C)c(C)cc1C)C[NH+](C)C ZINC001474263401 1183891414 /nfs/dbraw/zinc/89/14/14/1183891414.db2.gz WDCJIMGAWCYELR-OLHLWXQYSA-N 2 2 304.478 3.181 20 0 DGADLP Cc1csc2nc(C)c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n12 ZINC001474308251 1183902577 /nfs/dbraw/zinc/90/25/77/1183902577.db2.gz KNZYSVUGEJYOQS-ZDUSSCGKSA-N 2 2 315.446 3.115 20 0 DGADLP Cc1csc2nc(C)c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n12 ZINC001474308251 1183902578 /nfs/dbraw/zinc/90/25/78/1183902578.db2.gz KNZYSVUGEJYOQS-ZDUSSCGKSA-N 2 2 315.446 3.115 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CC2CCCCC2)c(C)[nH+]1 ZINC001497867682 1185403034 /nfs/dbraw/zinc/40/30/34/1185403034.db2.gz XVUHSIQKNUDFLG-OAHLLOKOSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001502356573 1185973784 /nfs/dbraw/zinc/97/37/84/1185973784.db2.gz GIBOBUUHRRGFQO-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001502356573 1185973788 /nfs/dbraw/zinc/97/37/88/1185973788.db2.gz GIBOBUUHRRGFQO-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP O=c1[nH]cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC001615990588 1193531198 /nfs/dbraw/zinc/53/11/98/1193531198.db2.gz DYIZAADNAJISQM-CYBMUJFWSA-N 2 2 308.385 3.043 20 0 DGADLP O=c1[nH]cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC001615990588 1193531200 /nfs/dbraw/zinc/53/12/00/1193531200.db2.gz DYIZAADNAJISQM-CYBMUJFWSA-N 2 2 308.385 3.043 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991073 1193532101 /nfs/dbraw/zinc/53/21/01/1193532101.db2.gz NBDIORCLDRRYMM-JKSUJKDBSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991073 1193532102 /nfs/dbraw/zinc/53/21/02/1193532102.db2.gz NBDIORCLDRRYMM-JKSUJKDBSA-N 2 2 303.450 3.329 20 0 DGADLP CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001541012550 1188268270 /nfs/dbraw/zinc/26/82/70/1188268270.db2.gz IHACFBPDBMUYRL-MAUKXSAKSA-N 2 2 315.461 3.094 20 0 DGADLP CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001541012550 1188268275 /nfs/dbraw/zinc/26/82/75/1188268275.db2.gz IHACFBPDBMUYRL-MAUKXSAKSA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001541012550 1188268280 /nfs/dbraw/zinc/26/82/80/1188268280.db2.gz IHACFBPDBMUYRL-MAUKXSAKSA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001541012550 1188268284 /nfs/dbraw/zinc/26/82/84/1188268284.db2.gz IHACFBPDBMUYRL-MAUKXSAKSA-N 2 2 315.461 3.094 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC001542840776 1188306052 /nfs/dbraw/zinc/30/60/52/1188306052.db2.gz VJDRNORHJBSDEX-UHFFFAOYSA-N 2 2 317.477 3.343 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC001542840776 1188306057 /nfs/dbraw/zinc/30/60/57/1188306057.db2.gz VJDRNORHJBSDEX-UHFFFAOYSA-N 2 2 317.477 3.343 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC001549115888 1188495702 /nfs/dbraw/zinc/49/57/02/1188495702.db2.gz JUWFEZGAEPEIOQ-SCLBCKFNSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC001549115888 1188495707 /nfs/dbraw/zinc/49/57/07/1188495707.db2.gz JUWFEZGAEPEIOQ-SCLBCKFNSA-N 2 2 315.392 3.042 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC001549115891 1188496949 /nfs/dbraw/zinc/49/69/49/1188496949.db2.gz JZBODSGZWSOULT-MFKMUULPSA-N 2 2 319.396 3.031 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC001549115891 1188496953 /nfs/dbraw/zinc/49/69/53/1188496953.db2.gz JZBODSGZWSOULT-MFKMUULPSA-N 2 2 319.396 3.031 20 0 DGADLP COCc1csc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001549368211 1188514239 /nfs/dbraw/zinc/51/42/39/1188514239.db2.gz MZUNUZBTGKHHTE-AWEZNQCLSA-N 2 2 305.447 3.008 20 0 DGADLP COCc1csc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001549368211 1188514242 /nfs/dbraw/zinc/51/42/42/1188514242.db2.gz MZUNUZBTGKHHTE-AWEZNQCLSA-N 2 2 305.447 3.008 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@@H]32)n1C ZINC001549372052 1188514994 /nfs/dbraw/zinc/51/49/94/1188514994.db2.gz JZSRFEUGDIBICE-GBESFXJTSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@@H]32)n1C ZINC001549372052 1188514995 /nfs/dbraw/zinc/51/49/95/1188514995.db2.gz JZSRFEUGDIBICE-GBESFXJTSA-N 2 2 311.429 3.223 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001550130348 1188584299 /nfs/dbraw/zinc/58/42/99/1188584299.db2.gz KIZPNJUAJCPTSA-GFCCVEGCSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001550130348 1188584303 /nfs/dbraw/zinc/58/43/03/1188584303.db2.gz KIZPNJUAJCPTSA-GFCCVEGCSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001550130349 1188584592 /nfs/dbraw/zinc/58/45/92/1188584592.db2.gz KIZPNJUAJCPTSA-LBPRGKRZSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001550130349 1188584593 /nfs/dbraw/zinc/58/45/93/1188584593.db2.gz KIZPNJUAJCPTSA-LBPRGKRZSA-N 2 2 324.350 3.214 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@H](c3ccccc3F)C2)C(C)(C)O1 ZINC001550174498 1188590241 /nfs/dbraw/zinc/59/02/41/1188590241.db2.gz BHZIZYUZMRXQBG-KMFMINBZSA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2C[C@H]([NH3+])[C@H](c3ccccc3F)C2)C(C)(C)O1 ZINC001550174498 1188590244 /nfs/dbraw/zinc/59/02/44/1188590244.db2.gz BHZIZYUZMRXQBG-KMFMINBZSA-N 2 2 320.452 3.146 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)cc2)[nH+]c1C ZINC001550218065 1188594811 /nfs/dbraw/zinc/59/48/11/1188594811.db2.gz JUBPUBBOQOIQFT-XJKSGUPXSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1nc(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)sc1C(C)(C)C ZINC001550436777 1188615545 /nfs/dbraw/zinc/61/55/45/1188615545.db2.gz PUBNFEBMWHMIMZ-DYVFJYSZSA-N 2 2 307.507 3.310 20 0 DGADLP Cc1nc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)sc1C(C)(C)C ZINC001550436777 1188615546 /nfs/dbraw/zinc/61/55/46/1188615546.db2.gz PUBNFEBMWHMIMZ-DYVFJYSZSA-N 2 2 307.507 3.310 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@@H]1[NH3+])CCC2 ZINC001551379211 1188732025 /nfs/dbraw/zinc/73/20/25/1188732025.db2.gz VYYFDAIWDWGVNO-UNEWFSDZSA-N 2 2 313.470 3.297 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC001551401122 1188738375 /nfs/dbraw/zinc/73/83/75/1188738375.db2.gz GTLOZTVCWPHHJF-HOTGVXAUSA-N 2 2 304.340 3.002 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)[C@H]2CCC[NH2+][C@H]21 ZINC001553024044 1188890691 /nfs/dbraw/zinc/89/06/91/1188890691.db2.gz AUNHJEWYHYYOPE-GUDXXQAFSA-N 2 2 304.409 3.016 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC001553027017 1188891400 /nfs/dbraw/zinc/89/14/00/1188891400.db2.gz SYECDIBYGONWCZ-XHSDSOJGSA-N 2 2 306.837 3.044 20 0 DGADLP CN(C)c1ncc(C[N@@H+]2CC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC001553894252 1188955648 /nfs/dbraw/zinc/95/56/48/1188955648.db2.gz HXYHIFXQIDPZNZ-AWEZNQCLSA-N 2 2 321.428 3.013 20 0 DGADLP CN(C)c1ncc(C[N@H+]2CC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC001553894252 1188955650 /nfs/dbraw/zinc/95/56/50/1188955650.db2.gz HXYHIFXQIDPZNZ-AWEZNQCLSA-N 2 2 321.428 3.013 20 0 DGADLP CCc1cc(N2CCC([NH2+]Cc3ccccc3)CC2)nc(CC)[nH+]1 ZINC001559195842 1189179826 /nfs/dbraw/zinc/17/98/26/1189179826.db2.gz XKJRNNAGNIVFRR-UHFFFAOYSA-N 2 2 324.472 3.360 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069577 1189274647 /nfs/dbraw/zinc/27/46/47/1189274647.db2.gz WEBAUJZNUNLONY-KSZLIROESA-N 2 2 324.509 3.161 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069577 1189274650 /nfs/dbraw/zinc/27/46/50/1189274650.db2.gz WEBAUJZNUNLONY-KSZLIROESA-N 2 2 324.509 3.161 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC001560263003 1189301850 /nfs/dbraw/zinc/30/18/50/1189301850.db2.gz VYSWTLSDCLKUJW-MRXNPFEDSA-N 2 2 322.412 3.035 20 0 DGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1nccs1 ZINC001560270254 1189303078 /nfs/dbraw/zinc/30/30/78/1189303078.db2.gz MGLSVHDEQMEKEM-UHFFFAOYSA-N 2 2 319.474 3.154 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC001560297745 1189307570 /nfs/dbraw/zinc/30/75/70/1189307570.db2.gz NWXAEOWSMANLAM-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC001560297745 1189307573 /nfs/dbraw/zinc/30/75/73/1189307573.db2.gz NWXAEOWSMANLAM-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cnc1F ZINC001560494201 1189332814 /nfs/dbraw/zinc/33/28/14/1189332814.db2.gz BUQQPXPIOJQUSN-UHFFFAOYSA-N 2 2 310.376 3.064 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(n1)CCCC2 ZINC001560518807 1189335788 /nfs/dbraw/zinc/33/57/88/1189335788.db2.gz JDHOEXWXIQANCI-WOJBJXKFSA-N 2 2 313.489 3.375 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c2c(n1)CCCC2 ZINC001560518807 1189335792 /nfs/dbraw/zinc/33/57/92/1189335792.db2.gz JDHOEXWXIQANCI-WOJBJXKFSA-N 2 2 313.489 3.375 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@H]2C1 ZINC001560623187 1189350569 /nfs/dbraw/zinc/35/05/69/1189350569.db2.gz RAHSMUXCUKZYKB-FPMFFAJLSA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4cccs4)n3)[C@H]2C1 ZINC001560623187 1189350574 /nfs/dbraw/zinc/35/05/74/1189350574.db2.gz RAHSMUXCUKZYKB-FPMFFAJLSA-N 2 2 319.499 3.301 20 0 DGADLP C[C@@H](Cc1ccsc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001560663590 1189356552 /nfs/dbraw/zinc/35/65/52/1189356552.db2.gz PJVWTFIRKWWFRF-LBPRGKRZSA-N 2 2 309.504 3.329 20 0 DGADLP C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001560663590 1189356556 /nfs/dbraw/zinc/35/65/56/1189356556.db2.gz PJVWTFIRKWWFRF-LBPRGKRZSA-N 2 2 309.504 3.329 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001560954542 1189410935 /nfs/dbraw/zinc/41/09/35/1189410935.db2.gz SYJNXPAEXIFZHS-VDHUWJSZSA-N 2 2 304.503 3.381 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001560954542 1189410939 /nfs/dbraw/zinc/41/09/39/1189410939.db2.gz SYJNXPAEXIFZHS-VDHUWJSZSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@H](CSCCF)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001560973044 1189413622 /nfs/dbraw/zinc/41/36/22/1189413622.db2.gz HPIVLVUXSNKCMF-GDBMZVCRSA-N 2 2 302.503 3.464 20 0 DGADLP C[C@H](CSCCF)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001560973044 1189413625 /nfs/dbraw/zinc/41/36/25/1189413625.db2.gz HPIVLVUXSNKCMF-GDBMZVCRSA-N 2 2 302.503 3.464 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050687 1189426706 /nfs/dbraw/zinc/42/67/06/1189426706.db2.gz DJXDGVGSOYLQLK-RDJZCZTQSA-N 2 2 305.466 3.243 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050687 1189426708 /nfs/dbraw/zinc/42/67/08/1189426708.db2.gz DJXDGVGSOYLQLK-RDJZCZTQSA-N 2 2 305.466 3.243 20 0 DGADLP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568143129 1190434068 /nfs/dbraw/zinc/43/40/68/1190434068.db2.gz LMRDXUHOMMGDFP-QGZVFWFLSA-N 2 2 315.461 3.167 20 0 DGADLP CC/C=C\CC[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568646662 1190572850 /nfs/dbraw/zinc/57/28/50/1190572850.db2.gz RNKSGBAQAKYMEI-ZRUQZJFASA-N 2 2 314.433 3.017 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001570620685 1190903214 /nfs/dbraw/zinc/90/32/14/1190903214.db2.gz GHHMAHAIWWIDSK-GUFYHEMZSA-N 2 2 317.477 3.460 20 0 DGADLP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001620680867 1193790677 /nfs/dbraw/zinc/79/06/77/1193790677.db2.gz SXTJZWGENXXASS-OAGGEKHMSA-N 2 2 305.466 3.243 20 0 DGADLP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001620680867 1193790679 /nfs/dbraw/zinc/79/06/79/1193790679.db2.gz SXTJZWGENXXASS-OAGGEKHMSA-N 2 2 305.466 3.243 20 0 DGADLP COc1cccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001620723422 1193795352 /nfs/dbraw/zinc/79/53/52/1193795352.db2.gz CVQIZSVEIMCRBU-UHFFFAOYSA-N 2 2 313.426 3.275 20 0 DGADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1=CCOCC1 ZINC001621104846 1193802894 /nfs/dbraw/zinc/80/28/94/1193802894.db2.gz BSGYAMSJGOGTIB-UHFFFAOYSA-N 2 2 317.458 3.396 20 0 DGADLP C[C@H]1CC[C@@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001621261443 1193824407 /nfs/dbraw/zinc/82/44/07/1193824407.db2.gz UBKUOFGKRGSNKS-PKOBYXMFSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@H]1CC[C@@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC001621261443 1193824409 /nfs/dbraw/zinc/82/44/09/1193824409.db2.gz UBKUOFGKRGSNKS-PKOBYXMFSA-N 2 2 315.505 3.113 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC001621569237 1193860625 /nfs/dbraw/zinc/86/06/25/1193860625.db2.gz MRPRLVIATXQGBF-MRXNPFEDSA-N 2 2 309.457 3.405 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000052070110 1194674505 /nfs/dbraw/zinc/67/45/05/1194674505.db2.gz DDJKYSFYXZDUJR-QGZVFWFLSA-N 2 2 310.869 3.180 20 0 DGADLP Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001639150960 1194753023 /nfs/dbraw/zinc/75/30/23/1194753023.db2.gz MORNNHDMEGWSTQ-AWEZNQCLSA-N 2 2 300.406 3.360 20 0 DGADLP CCc1cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc(CC)[nH+]1 ZINC001640185699 1194800149 /nfs/dbraw/zinc/80/01/49/1194800149.db2.gz LOIBWDPKQLCDJD-QGZVFWFLSA-N 2 2 310.445 3.288 20 0 DGADLP CCOc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000059369169 1195086745 /nfs/dbraw/zinc/08/67/45/1195086745.db2.gz FXSJQFYRZBKVNV-UHFFFAOYSA-N 2 2 322.412 3.264 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608809 1195194526 /nfs/dbraw/zinc/19/45/26/1195194526.db2.gz HJXJAMSYHLYUKX-QRVBRYPASA-N 2 2 308.510 3.390 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608809 1195194528 /nfs/dbraw/zinc/19/45/28/1195194528.db2.gz HJXJAMSYHLYUKX-QRVBRYPASA-N 2 2 308.510 3.390 20 0 DGADLP Clc1cnccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001648772837 1195330474 /nfs/dbraw/zinc/33/04/74/1195330474.db2.gz ZOBNSCNTBWTBQD-UHFFFAOYSA-N 2 2 312.804 3.270 20 0 DGADLP COC(=O)c1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC001649412128 1195334869 /nfs/dbraw/zinc/33/48/69/1195334869.db2.gz HCERLSLCGHGOSR-MRXNPFEDSA-N 2 2 324.440 3.068 20 0 DGADLP CCc1nc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc(C)[nH+]1 ZINC001652317706 1195580839 /nfs/dbraw/zinc/58/08/39/1195580839.db2.gz CXWIEQAYHWMCAQ-HZPDHXFCSA-N 2 2 302.466 3.047 20 0 DGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCC1 ZINC001652358635 1195586714 /nfs/dbraw/zinc/58/67/14/1195586714.db2.gz VEKLIAQCUDUMRZ-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCC1 ZINC001652358635 1195586718 /nfs/dbraw/zinc/58/67/18/1195586718.db2.gz VEKLIAQCUDUMRZ-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC001652361988 1195588710 /nfs/dbraw/zinc/58/87/10/1195588710.db2.gz UBSLBTWZTWDFMS-QWFCFKBJSA-N 2 2 317.521 3.217 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652987121 1195677946 /nfs/dbraw/zinc/67/79/46/1195677946.db2.gz ZRJKJHIOIUAOAM-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652987121 1195677949 /nfs/dbraw/zinc/67/79/49/1195677949.db2.gz ZRJKJHIOIUAOAM-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC001653229377 1195700933 /nfs/dbraw/zinc/70/09/33/1195700933.db2.gz HUTDJDIVGDBBPG-KRWDZBQOSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC001653229377 1195700938 /nfs/dbraw/zinc/70/09/38/1195700938.db2.gz HUTDJDIVGDBBPG-KRWDZBQOSA-N 2 2 316.489 3.387 20 0 DGADLP CCn1cncc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001653263584 1195704630 /nfs/dbraw/zinc/70/46/30/1195704630.db2.gz VGKLOMKHDZETBG-HNNXBMFYSA-N 2 2 315.465 3.234 20 0 DGADLP CCn1cncc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001653263584 1195704633 /nfs/dbraw/zinc/70/46/33/1195704633.db2.gz VGKLOMKHDZETBG-HNNXBMFYSA-N 2 2 315.465 3.234 20 0 DGADLP C[C@@H]1C[N@H+](Cc2nsc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001654660672 1195828580 /nfs/dbraw/zinc/82/85/80/1195828580.db2.gz SDIXLSOXYQAYIP-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2nsc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001654660672 1195828581 /nfs/dbraw/zinc/82/85/81/1195828581.db2.gz SDIXLSOXYQAYIP-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC001655123609 1195880219 /nfs/dbraw/zinc/88/02/19/1195880219.db2.gz PCFNUZLVOONQPI-UHFFFAOYSA-N 2 2 313.449 3.111 20 0 DGADLP CSCc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001655226352 1195893103 /nfs/dbraw/zinc/89/31/03/1195893103.db2.gz KCAFLGUUEUHXGG-HZPDHXFCSA-N 2 2 322.518 3.139 20 0 DGADLP CCc1cccc2cc(C[NH2+]CCC[N@H+](C)CCOC)oc21 ZINC001655273531 1195898233 /nfs/dbraw/zinc/89/82/33/1195898233.db2.gz ANAGVGRHVIHRQR-UHFFFAOYSA-N 2 2 304.434 3.053 20 0 DGADLP CCc1cccc2cc(C[NH2+]CCC[N@@H+](C)CCOC)oc21 ZINC001655273531 1195898239 /nfs/dbraw/zinc/89/82/39/1195898239.db2.gz ANAGVGRHVIHRQR-UHFFFAOYSA-N 2 2 304.434 3.053 20 0 DGADLP Fc1cc(C[NH2+]Cc2cc3cccnc3o2)ccc1-n1cc[nH+]c1 ZINC001655410465 1195914339 /nfs/dbraw/zinc/91/43/39/1195914339.db2.gz JVYBQTPXFKMNSL-UHFFFAOYSA-N 2 2 322.343 3.442 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)nc(C)[nH+]1 ZINC001655675867 1195948371 /nfs/dbraw/zinc/94/83/71/1195948371.db2.gz WGOXZTQKVMADSC-LJQANCHMSA-N 2 2 324.472 3.440 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)nc(C)[nH+]1 ZINC001655675867 1195948375 /nfs/dbraw/zinc/94/83/75/1195948375.db2.gz WGOXZTQKVMADSC-LJQANCHMSA-N 2 2 324.472 3.440 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001655724610 1195956348 /nfs/dbraw/zinc/95/63/48/1195956348.db2.gz CBXYXERMHCQZPL-JKSUJKDBSA-N 2 2 314.477 3.409 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001655887034 1195973863 /nfs/dbraw/zinc/97/38/63/1195973863.db2.gz WPIZABUUIDVFSQ-SFHVURJKSA-N 2 2 311.429 3.372 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001655893774 1195974747 /nfs/dbraw/zinc/97/47/47/1195974747.db2.gz GUVKWFQUUAMPKP-QGZVFWFLSA-N 2 2 313.426 3.065 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCC3CCCCC3)[nH+]c2)C1 ZINC001655947832 1195981066 /nfs/dbraw/zinc/98/10/66/1195981066.db2.gz QXYIAPZUNNSWCM-QGZVFWFLSA-N 2 2 302.466 3.214 20 0 DGADLP CCc1cnc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC001656027270 1195989855 /nfs/dbraw/zinc/98/98/55/1195989855.db2.gz JTYOLZKKMLRMBZ-UHFFFAOYSA-N 2 2 312.442 3.240 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001656062169 1195993145 /nfs/dbraw/zinc/99/31/45/1195993145.db2.gz OGTWCPIGDINQET-GJZGRUSLSA-N 2 2 321.534 3.480 20 0 DGADLP COc1ccc(F)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001656682150 1196061638 /nfs/dbraw/zinc/06/16/38/1196061638.db2.gz BYGBXFPFUUNUNZ-UHFFFAOYSA-N 2 2 317.389 3.371 20 0 DGADLP CCCn1cncc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001656693842 1196063273 /nfs/dbraw/zinc/06/32/73/1196063273.db2.gz KVDXVCLIBOOUSR-SFHVURJKSA-N 2 2 323.444 3.100 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001656972223 1196088381 /nfs/dbraw/zinc/08/83/81/1196088381.db2.gz PAINZGOOVGNLGD-UHFFFAOYSA-N 2 2 312.461 3.431 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnsc2)[C@H]1c1cccs1 ZINC001657279532 1196126550 /nfs/dbraw/zinc/12/65/50/1196126550.db2.gz ZWACNOWMPSXRAF-HIFRSBDPSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnsc2)[C@H]1c1cccs1 ZINC001657279532 1196126551 /nfs/dbraw/zinc/12/65/51/1196126551.db2.gz ZWACNOWMPSXRAF-HIFRSBDPSA-N 2 2 307.488 3.377 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1)C[NH+](C)C ZINC001657973643 1196198241 /nfs/dbraw/zinc/19/82/41/1196198241.db2.gz SVGCVPGSIUKEFC-GOSISDBHSA-N 2 2 316.489 3.498 20 0 DGADLP CCO[C@@H](C[NH2+]C/C(C)=C\c1ccc(Cl)cc1)C[NH+](C)C ZINC001657973355 1196198291 /nfs/dbraw/zinc/19/82/91/1196198291.db2.gz JHHBKZAQNIOBMZ-QXSWTLKVSA-N 2 2 310.869 3.300 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001658274546 1196234322 /nfs/dbraw/zinc/23/43/22/1196234322.db2.gz KXIUFVONRRGTGN-HNNXBMFYSA-N 2 2 315.417 3.458 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CC[C@H](C)[NH+](C)C)s1 ZINC001658367629 1196247266 /nfs/dbraw/zinc/24/72/66/1196247266.db2.gz RIMURTIEGHLPOI-VIFPVBQESA-N 2 2 305.285 3.249 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)o1 ZINC001658631954 1196282251 /nfs/dbraw/zinc/28/22/51/1196282251.db2.gz QXYXOYYGCBXITG-ZBFHGGJFSA-N 2 2 322.449 3.009 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)o1 ZINC001658631954 1196282254 /nfs/dbraw/zinc/28/22/54/1196282254.db2.gz QXYXOYYGCBXITG-ZBFHGGJFSA-N 2 2 322.449 3.009 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ncccc2F)[nH+]1 ZINC001658874734 1196312297 /nfs/dbraw/zinc/31/22/97/1196312297.db2.gz JHAZSFMBWYTCHB-CQSZACIVSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ncccc2F)[nH+]1 ZINC001658874734 1196312301 /nfs/dbraw/zinc/31/23/01/1196312301.db2.gz JHAZSFMBWYTCHB-CQSZACIVSA-N 2 2 300.381 3.001 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@H]1C[C@H]1C ZINC001659143365 1196351537 /nfs/dbraw/zinc/35/15/37/1196351537.db2.gz FXFCTBMWBZOBBV-HUUCEWRRSA-N 2 2 300.450 3.446 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]CCSc1ccc(OC)cc1 ZINC001659737079 1196409413 /nfs/dbraw/zinc/40/94/13/1196409413.db2.gz JIGBUNHJBXPYBN-HNNXBMFYSA-N 2 2 308.491 3.251 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCSc1ccc(OC)cc1 ZINC001659737079 1196409409 /nfs/dbraw/zinc/40/94/09/1196409409.db2.gz JIGBUNHJBXPYBN-HNNXBMFYSA-N 2 2 308.491 3.251 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000075733838 1196415114 /nfs/dbraw/zinc/41/51/14/1196415114.db2.gz MXPRBQRJNOVPNK-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000075734203 1196415137 /nfs/dbraw/zinc/41/51/37/1196415137.db2.gz RMHNUTOKUSJKBY-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001660046997 1196440034 /nfs/dbraw/zinc/44/00/34/1196440034.db2.gz DHBQCOKNFUCRFR-BFWZDYSYSA-N 2 2 309.542 3.205 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001660046997 1196440036 /nfs/dbraw/zinc/44/00/36/1196440036.db2.gz DHBQCOKNFUCRFR-BFWZDYSYSA-N 2 2 309.542 3.205 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001660046998 1196440237 /nfs/dbraw/zinc/44/02/37/1196440237.db2.gz DHBQCOKNFUCRFR-CPFNUKBASA-N 2 2 309.542 3.205 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001660046998 1196440241 /nfs/dbraw/zinc/44/02/41/1196440241.db2.gz DHBQCOKNFUCRFR-CPFNUKBASA-N 2 2 309.542 3.205 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001660349511 1196473524 /nfs/dbraw/zinc/47/35/24/1196473524.db2.gz DNHCQJGUCOZCFV-MRXNPFEDSA-N 2 2 320.477 3.055 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001660349511 1196473526 /nfs/dbraw/zinc/47/35/26/1196473526.db2.gz DNHCQJGUCOZCFV-MRXNPFEDSA-N 2 2 320.477 3.055 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001660570412 1196498216 /nfs/dbraw/zinc/49/82/16/1196498216.db2.gz MAXMZZGKCRDHHX-UHFFFAOYSA-N 2 2 301.459 3.357 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001660678479 1196511024 /nfs/dbraw/zinc/51/10/24/1196511024.db2.gz ZEZOLECMMXYRAX-HOTGVXAUSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001660678479 1196511028 /nfs/dbraw/zinc/51/10/28/1196511028.db2.gz ZEZOLECMMXYRAX-HOTGVXAUSA-N 2 2 305.466 3.244 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+]CCC[NH+]1CCCC1 ZINC001660805071 1196527653 /nfs/dbraw/zinc/52/76/53/1196527653.db2.gz HLOASIOFYSSHKC-UHFFFAOYSA-N 2 2 305.441 3.001 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001660880212 1196538114 /nfs/dbraw/zinc/53/81/14/1196538114.db2.gz UWKVOSGDQIDYTK-RBUKOAKNSA-N 2 2 313.445 3.225 20 0 DGADLP Cc1ccc2ncc(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)n2c1 ZINC001661061910 1196560428 /nfs/dbraw/zinc/56/04/28/1196560428.db2.gz SUJXRUXUNJJFED-MRXNPFEDSA-N 2 2 311.433 3.044 20 0 DGADLP OCCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000077466912 1196599402 /nfs/dbraw/zinc/59/94/02/1196599402.db2.gz RTNDNXNGVAGYET-HXUWFJFHSA-N 2 2 321.424 3.476 20 0 DGADLP CS[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001661558461 1196619207 /nfs/dbraw/zinc/61/92/07/1196619207.db2.gz WNQBNRWZAUVOGM-MSOLQXFVSA-N 2 2 318.530 3.349 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC001661675347 1196631140 /nfs/dbraw/zinc/63/11/40/1196631140.db2.gz FXIYEEQDAMHGGA-UHFFFAOYSA-N 2 2 316.898 3.381 20 0 DGADLP C[C@H]([NH2+]Cc1cn2ccnc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001662133199 1196684920 /nfs/dbraw/zinc/68/49/20/1196684920.db2.gz PSJRXLGGQMGMKD-ZDUSSCGKSA-N 2 2 323.425 3.432 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)c(OC)cc1OC ZINC001663500800 1196888140 /nfs/dbraw/zinc/88/81/40/1196888140.db2.gz SZUFHXPLDLGKJF-ZDUSSCGKSA-N 2 2 312.429 3.053 20 0 DGADLP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102369 1197097552 /nfs/dbraw/zinc/09/75/52/1197097552.db2.gz QQWPREQWWMGYLP-QRVBRYPASA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102369 1197097559 /nfs/dbraw/zinc/09/75/59/1197097559.db2.gz QQWPREQWWMGYLP-QRVBRYPASA-N 2 2 308.510 3.390 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001665712177 1197179700 /nfs/dbraw/zinc/17/97/00/1197179700.db2.gz KMWQOXOKZGPDLG-AKHDSKFASA-N 2 2 309.542 3.349 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001665712177 1197179704 /nfs/dbraw/zinc/17/97/04/1197179704.db2.gz KMWQOXOKZGPDLG-AKHDSKFASA-N 2 2 309.542 3.349 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC001665832658 1197203671 /nfs/dbraw/zinc/20/36/71/1197203671.db2.gz YRBLZEMSGOEJBO-RHSMWYFYSA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)c(C)c1OC ZINC001665832658 1197203674 /nfs/dbraw/zinc/20/36/74/1197203674.db2.gz YRBLZEMSGOEJBO-RHSMWYFYSA-N 2 2 320.477 3.017 20 0 DGADLP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964197 1197937417 /nfs/dbraw/zinc/93/74/17/1197937417.db2.gz AQPQRZUTRZXZPY-HLRDLLSLSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964197 1197937423 /nfs/dbraw/zinc/93/74/23/1197937423.db2.gz AQPQRZUTRZXZPY-HLRDLLSLSA-N 2 2 317.477 3.413 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000090003715 1198084550 /nfs/dbraw/zinc/08/45/50/1198084550.db2.gz DAARIJCOGVMHPK-QGZVFWFLSA-N 2 2 319.493 3.414 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000090003715 1198084557 /nfs/dbraw/zinc/08/45/57/1198084557.db2.gz DAARIJCOGVMHPK-QGZVFWFLSA-N 2 2 319.493 3.414 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112709782 1199121888 /nfs/dbraw/zinc/12/18/88/1199121888.db2.gz ZRJZYOIISSMPBF-LLVKDONJSA-N 2 2 318.795 3.373 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112709782 1199121895 /nfs/dbraw/zinc/12/18/95/1199121895.db2.gz ZRJZYOIISSMPBF-LLVKDONJSA-N 2 2 318.795 3.373 20 0 DGADLP Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000404076342 1199533977 /nfs/dbraw/zinc/53/39/77/1199533977.db2.gz QQRMKNWLKGQPMJ-UHFFFAOYSA-N 2 2 314.404 3.286 20 0 DGADLP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000106487083 1199566691 /nfs/dbraw/zinc/56/66/91/1199566691.db2.gz SPWBZJHZUOQQQN-UHFFFAOYSA-N 2 2 318.852 3.065 20 0 DGADLP C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305702653 1199684483 /nfs/dbraw/zinc/68/44/83/1199684483.db2.gz DITSVDXYHJWQEV-OXJNMPFZSA-N 2 2 321.424 3.474 20 0 DGADLP CC(C)n1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000309663089 1199708700 /nfs/dbraw/zinc/70/87/00/1199708700.db2.gz NGANWYCZLPBXKP-UHFFFAOYSA-N 2 2 312.461 3.218 20 0 DGADLP Cc1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000121747085 1200230823 /nfs/dbraw/zinc/23/08/23/1200230823.db2.gz OEAGTZNZIDGFTH-UHFFFAOYSA-N 2 2 302.378 3.066 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1F ZINC000123695081 1200287854 /nfs/dbraw/zinc/28/78/54/1200287854.db2.gz BGWLZMFHOOPPRZ-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690283715 1200476760 /nfs/dbraw/zinc/47/67/60/1200476760.db2.gz XKXGHHXZNKCIOF-AWXYYQGCSA-N 2 2 315.461 3.214 20 0 DGADLP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755039351 1200607267 /nfs/dbraw/zinc/60/72/67/1200607267.db2.gz RPRKSIWMHYTCMV-UHFFFAOYSA-N 2 2 317.477 3.367 20 0 DGADLP CC(C)=CC[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755039351 1200607270 /nfs/dbraw/zinc/60/72/70/1200607270.db2.gz RPRKSIWMHYTCMV-UHFFFAOYSA-N 2 2 317.477 3.367 20 0 DGADLP Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000128395919 1200769919 /nfs/dbraw/zinc/76/99/19/1200769919.db2.gz ZSBQJKABGSWCEX-ZDUSSCGKSA-N 2 2 310.401 3.370 20 0 DGADLP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972225 1200890252 /nfs/dbraw/zinc/89/02/52/1200890252.db2.gz NUGPVQDAKBJFBY-KRWDZBQOSA-N 2 2 317.477 3.201 20 0 DGADLP CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972225 1200890260 /nfs/dbraw/zinc/89/02/60/1200890260.db2.gz NUGPVQDAKBJFBY-KRWDZBQOSA-N 2 2 317.477 3.201 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000131191786 1201135605 /nfs/dbraw/zinc/13/56/05/1201135605.db2.gz KBVIEKUPLCOHKP-OAHLLOKOSA-N 2 2 311.429 3.102 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)nc1 ZINC000134045543 1201197931 /nfs/dbraw/zinc/19/79/31/1201197931.db2.gz ZLLDAECLASHTBD-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000136159008 1201208525 /nfs/dbraw/zinc/20/85/25/1201208525.db2.gz GZGVQUQUZOQXAO-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CC(C)C)CC(C)C)c(C)[nH+]1 ZINC001698874040 1201534547 /nfs/dbraw/zinc/53/45/47/1201534547.db2.gz BDBYCOFPDXMXJV-KRWDZBQOSA-N 2 2 319.493 3.397 20 0 DGADLP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC(C)C ZINC001752198262 1201797476 /nfs/dbraw/zinc/79/74/76/1201797476.db2.gz ZLUNPVOBYBVWSU-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC(C)C ZINC001752198262 1201797479 /nfs/dbraw/zinc/79/74/79/1201797479.db2.gz ZLUNPVOBYBVWSU-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000236799721 1202625612 /nfs/dbraw/zinc/62/56/12/1202625612.db2.gz HWNIWWCIJFRFLD-HXUWFJFHSA-N 2 2 312.457 3.286 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000236799721 1202625613 /nfs/dbraw/zinc/62/56/13/1202625613.db2.gz HWNIWWCIJFRFLD-HXUWFJFHSA-N 2 2 312.457 3.286 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000236841494 1202627829 /nfs/dbraw/zinc/62/78/29/1202627829.db2.gz RKYDWTQKXISHDM-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000236841494 1202627830 /nfs/dbraw/zinc/62/78/30/1202627830.db2.gz RKYDWTQKXISHDM-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP Cc1ccccc1C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000237737789 1202692955 /nfs/dbraw/zinc/69/29/55/1202692955.db2.gz GYHYDYDPIJVDJF-UHFFFAOYSA-N 2 2 304.503 3.446 20 0 DGADLP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714255808 1202849259 /nfs/dbraw/zinc/84/92/59/1202849259.db2.gz FECLYTLMUFLBLL-ROJDOSBLSA-N 2 2 317.477 3.461 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714697197 1203103177 /nfs/dbraw/zinc/10/31/77/1203103177.db2.gz ACCSGAOISFYKOX-WFASDCNBSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@H](F)C[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001715622389 1203375051 /nfs/dbraw/zinc/37/50/51/1203375051.db2.gz KPJAPTZDASLWKL-HOTGVXAUSA-N 2 2 323.456 3.099 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(C)C)c(C)[nH+]1 ZINC001716065083 1203438075 /nfs/dbraw/zinc/43/80/75/1203438075.db2.gz IZXMFIPKEIFHRF-SJORKVTESA-N 2 2 317.477 3.151 20 0 DGADLP CCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001716819579 1203547585 /nfs/dbraw/zinc/54/75/85/1203547585.db2.gz BSWNBJBOVXWWJH-QGZVFWFLSA-N 2 2 317.477 3.295 20 0 DGADLP CC(C)CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725089686 1204092210 /nfs/dbraw/zinc/09/22/10/1204092210.db2.gz GUGXBFFJNFZMPV-KGLIPLIRSA-N 2 2 316.449 3.096 20 0 DGADLP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725495465 1204159081 /nfs/dbraw/zinc/15/90/81/1204159081.db2.gz CPHDEJBHYNKWSV-SWLSCSKDSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725495468 1204159148 /nfs/dbraw/zinc/15/91/48/1204159148.db2.gz CPHDEJBHYNKWSV-WFASDCNBSA-N 2 2 305.466 3.103 20 0 DGADLP CC[NH+](CC)Cc1nc(C2([NH2+]CCC(C)C)CCCC2)no1 ZINC000488411704 1204296350 /nfs/dbraw/zinc/29/63/50/1204296350.db2.gz KGUSENXMABLLPH-UHFFFAOYSA-N 2 2 308.470 3.316 20 0 DGADLP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731605139 1204479656 /nfs/dbraw/zinc/47/96/56/1204479656.db2.gz AJJKCBPKSBPBDX-LZNQSLFOSA-N 2 2 303.450 3.071 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001732715781 1204932725 /nfs/dbraw/zinc/93/27/25/1204932725.db2.gz NDJNJLNGQGNJTA-CQSZACIVSA-N 2 2 305.466 3.151 20 0 DGADLP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733539647 1205158492 /nfs/dbraw/zinc/15/84/92/1205158492.db2.gz YNWWFBVQNZPFNF-NVXWUHKLSA-N 2 2 317.477 3.247 20 0 DGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001733553156 1205160992 /nfs/dbraw/zinc/16/09/92/1205160992.db2.gz VEQIDIJJYMEHCL-PBHICJAKSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH+]c2ccccc12 ZINC001164773768 721287439 /nfs/dbraw/zinc/28/74/39/721287439.db2.gz UPLIYJGCRLHTJB-UHFFFAOYSA-N 2 2 307.441 3.465 20 0 DGADLP Cc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH+]c2ccccc12 ZINC001164773768 721287444 /nfs/dbraw/zinc/28/74/44/721287444.db2.gz UPLIYJGCRLHTJB-UHFFFAOYSA-N 2 2 307.441 3.465 20 0 DGADLP Cc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c(C)c(C)[nH+]1 ZINC001167088490 1081668292 /nfs/dbraw/zinc/66/82/92/1081668292.db2.gz FOAUHHIWJUWQPM-UHFFFAOYSA-N 2 2 310.376 3.131 20 0 DGADLP CCOC(=O)CCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001209349869 1081711093 /nfs/dbraw/zinc/71/10/93/1081711093.db2.gz CHWQGECHYHGMLS-UHFFFAOYSA-N 2 2 307.438 3.034 20 0 DGADLP C[N@H+](Cc1cccc(-c2nccs2)c1)C1CC[NH+](C)CC1 ZINC001140336302 1082141534 /nfs/dbraw/zinc/14/15/34/1082141534.db2.gz SXRWGBFBXCQINF-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP C[N@@H+](Cc1cccc(-c2nccs2)c1)C1CC[NH+](C)CC1 ZINC001140336302 1082141539 /nfs/dbraw/zinc/14/15/39/1082141539.db2.gz SXRWGBFBXCQINF-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001266700951 1082155184 /nfs/dbraw/zinc/15/51/84/1082155184.db2.gz AKYVUXQZHAWYCE-CALCHBBNSA-N 2 2 317.477 3.438 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC001170137822 1082180467 /nfs/dbraw/zinc/18/04/67/1082180467.db2.gz PCGHDHZFUQTXMN-HUUCEWRRSA-N 2 2 304.482 3.072 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC001170137822 1082180468 /nfs/dbraw/zinc/18/04/68/1082180468.db2.gz PCGHDHZFUQTXMN-HUUCEWRRSA-N 2 2 304.482 3.072 20 0 DGADLP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCC3C[NH+](C)C3)c12 ZINC001170253551 1082334722 /nfs/dbraw/zinc/33/47/22/1082334722.db2.gz OYROZUAZRCFIMO-UHFFFAOYSA-N 2 2 313.449 3.137 20 0 DGADLP Nc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001170333301 1082349364 /nfs/dbraw/zinc/34/93/64/1082349364.db2.gz NLXQJPRHVQXVAW-NNZMDNLPSA-N 2 2 308.429 3.271 20 0 DGADLP Nc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001170333301 1082349370 /nfs/dbraw/zinc/34/93/70/1082349370.db2.gz NLXQJPRHVQXVAW-NNZMDNLPSA-N 2 2 308.429 3.271 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001207274395 1082481594 /nfs/dbraw/zinc/48/15/94/1082481594.db2.gz BQEUQDIUQUJFFP-UHFFFAOYSA-N 2 2 320.452 3.308 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001207286358 1082523958 /nfs/dbraw/zinc/52/39/58/1082523958.db2.gz QYPZOWIOQJIACA-AWEZNQCLSA-N 2 2 312.404 3.006 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001207286358 1082523962 /nfs/dbraw/zinc/52/39/62/1082523962.db2.gz QYPZOWIOQJIACA-AWEZNQCLSA-N 2 2 312.404 3.006 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)ccc1O ZINC001140576968 1082569183 /nfs/dbraw/zinc/56/91/83/1082569183.db2.gz DWSIODJXLOOQAL-UHFFFAOYSA-N 2 2 306.425 3.099 20 0 DGADLP CCc1nn(C)cc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000092355091 1082901396 /nfs/dbraw/zinc/90/13/96/1082901396.db2.gz XLFZGGBIQSUGJH-CQSZACIVSA-N 2 2 309.417 3.019 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001170706242 1083189491 /nfs/dbraw/zinc/18/94/91/1083189491.db2.gz ACPARSBMJCIQTG-UKRRQHHQSA-N 2 2 317.383 3.358 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000311052519 1083271853 /nfs/dbraw/zinc/27/18/53/1083271853.db2.gz QYHZKSWSQIZWSR-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000311052519 1083271857 /nfs/dbraw/zinc/27/18/57/1083271857.db2.gz QYHZKSWSQIZWSR-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP CCCC[NH+](CCCC)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC001167733386 1083311001 /nfs/dbraw/zinc/31/10/01/1083311001.db2.gz SILOXHJQELPDCL-UHFFFAOYSA-N 2 2 319.497 3.391 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001205264250 1083923912 /nfs/dbraw/zinc/92/39/12/1083923912.db2.gz IEVCGCMSOFXCPJ-OAHLLOKOSA-N 2 2 302.340 3.130 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001205264250 1083923920 /nfs/dbraw/zinc/92/39/20/1083923920.db2.gz IEVCGCMSOFXCPJ-OAHLLOKOSA-N 2 2 302.340 3.130 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC001184198116 1084121705 /nfs/dbraw/zinc/12/17/05/1084121705.db2.gz VLKYIHWCNPFMDJ-UHFFFAOYSA-N 2 2 310.869 3.295 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC001184198116 1084121709 /nfs/dbraw/zinc/12/17/09/1084121709.db2.gz VLKYIHWCNPFMDJ-UHFFFAOYSA-N 2 2 310.869 3.295 20 0 DGADLP Brc1ccc2cc(C[N@@H+]3CCC[NH2+]CC3)ccc2c1 ZINC001204667597 1084123629 /nfs/dbraw/zinc/12/36/29/1084123629.db2.gz NMHMESUUBAADAR-UHFFFAOYSA-N 2 2 319.246 3.398 20 0 DGADLP Brc1ccc2cc(C[N@H+]3CCC[NH2+]CC3)ccc2c1 ZINC001204667597 1084123632 /nfs/dbraw/zinc/12/36/32/1084123632.db2.gz NMHMESUUBAADAR-UHFFFAOYSA-N 2 2 319.246 3.398 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(Br)c1 ZINC000230729662 1084390850 /nfs/dbraw/zinc/39/08/50/1084390850.db2.gz DKTHZWQKGNBWHH-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(Br)c1 ZINC000230729662 1084390863 /nfs/dbraw/zinc/39/08/63/1084390863.db2.gz DKTHZWQKGNBWHH-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP C[NH+](C)[C@H]1CCCC[C@H]1Nc1nc2ccccc2n2c[nH+]cc12 ZINC001185254478 1084393501 /nfs/dbraw/zinc/39/35/01/1084393501.db2.gz VSZUHXKYJMQLQR-HIFRSBDPSA-N 2 2 309.417 3.167 20 0 DGADLP CCN(CCC[NH+]1CCCC1)c1nc2ccccc2n2c[nH+]cc12 ZINC001186155739 1084603359 /nfs/dbraw/zinc/60/33/59/1084603359.db2.gz DMVXDMZELXDETD-UHFFFAOYSA-N 2 2 323.444 3.195 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3coc4ccccc34)CC2)nc(C)[nH+]1 ZINC000092703736 1084651918 /nfs/dbraw/zinc/65/19/18/1084651918.db2.gz KLPHIYDNFRYJLD-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1F ZINC001167965680 1085856488 /nfs/dbraw/zinc/85/64/88/1085856488.db2.gz KMFOLGTZJDQBIC-MQVJKMGUSA-N 2 2 306.400 3.460 20 0 DGADLP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1F ZINC001167965680 1085856496 /nfs/dbraw/zinc/85/64/96/1085856496.db2.gz KMFOLGTZJDQBIC-MQVJKMGUSA-N 2 2 306.400 3.460 20 0 DGADLP Cc1cccn2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)nc12 ZINC001167967591 1085890479 /nfs/dbraw/zinc/89/04/79/1085890479.db2.gz HXVNUHZOLDQNFD-JLYLLQBASA-N 2 2 324.472 3.138 20 0 DGADLP Cc1cccn2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)nc12 ZINC001167967591 1085890499 /nfs/dbraw/zinc/89/04/99/1085890499.db2.gz HXVNUHZOLDQNFD-JLYLLQBASA-N 2 2 324.472 3.138 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cncnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012962 1086248786 /nfs/dbraw/zinc/24/87/86/1086248786.db2.gz GHADUZZNFHIWDL-HOTGVXAUSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCC(C)CC1 ZINC001648965526 1086489025 /nfs/dbraw/zinc/48/90/25/1086489025.db2.gz PBKILQASJMPGCP-HNNXBMFYSA-N 2 2 318.490 3.144 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC001648969906 1086527438 /nfs/dbraw/zinc/52/74/38/1086527438.db2.gz XNMUYZXNDWDRIK-UHFFFAOYSA-N 2 2 312.442 3.413 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001141992183 1086628526 /nfs/dbraw/zinc/62/85/26/1086628526.db2.gz FXHJSQAOBLTIAE-VQIMIIECSA-N 2 2 311.429 3.034 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001141992183 1086628530 /nfs/dbraw/zinc/62/85/30/1086628530.db2.gz FXHJSQAOBLTIAE-VQIMIIECSA-N 2 2 311.429 3.034 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001168071682 1086726755 /nfs/dbraw/zinc/72/67/55/1086726755.db2.gz LPHFRMDRZTUCEF-PXNSSMCTSA-N 2 2 316.489 3.098 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112865 1086920717 /nfs/dbraw/zinc/92/07/17/1086920717.db2.gz DZKLBDMFTWQANR-LPHOPBHVSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112865 1086920721 /nfs/dbraw/zinc/92/07/21/1086920721.db2.gz DZKLBDMFTWQANR-LPHOPBHVSA-N 2 2 302.462 3.150 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168231150 1087062739 /nfs/dbraw/zinc/06/27/39/1087062739.db2.gz OQJLWPHNHMLFDF-GOSISDBHSA-N 2 2 319.408 3.138 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001168226428 1087063272 /nfs/dbraw/zinc/06/32/72/1087063272.db2.gz JKPZXWWRMWJNJK-WBVHZDCISA-N 2 2 310.376 3.137 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168351565 1087304794 /nfs/dbraw/zinc/30/47/94/1087304794.db2.gz VAYQYRLZDMGDLI-KRWDZBQOSA-N 2 2 304.409 3.113 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001483250631 1087449856 /nfs/dbraw/zinc/44/98/56/1087449856.db2.gz OXLXZDCDORTSDH-AWEZNQCLSA-N 2 2 317.477 3.151 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394512 1087551565 /nfs/dbraw/zinc/55/15/65/1087551565.db2.gz AGVANGVYZGRORY-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394512 1087551569 /nfs/dbraw/zinc/55/15/69/1087551569.db2.gz AGVANGVYZGRORY-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168408763 1087570452 /nfs/dbraw/zinc/57/04/52/1087570452.db2.gz XEDKDSXIVCDYKB-HNAYVOBHSA-N 2 2 304.453 3.393 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001168415898 1087592084 /nfs/dbraw/zinc/59/20/84/1087592084.db2.gz SDJGTTDXDXQGQP-OALUTQOASA-N 2 2 302.437 3.147 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001168415898 1087592087 /nfs/dbraw/zinc/59/20/87/1087592087.db2.gz SDJGTTDXDXQGQP-OALUTQOASA-N 2 2 302.437 3.147 20 0 DGADLP COc1cc2ccc(NC(C)(C)CC[NH+](C)C)[nH+]c2cc1OC ZINC001158760659 1088014666 /nfs/dbraw/zinc/01/46/66/1088014666.db2.gz IIDDWQPNMMTESR-UHFFFAOYSA-N 2 2 317.433 3.394 20 0 DGADLP Cc1ccc(C=CNc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1 ZINC001159261637 1088260564 /nfs/dbraw/zinc/26/05/64/1088260564.db2.gz NDCAFSQQEJJVJJ-XYOKQWHBSA-N 2 2 308.429 3.400 20 0 DGADLP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015168 1088438247 /nfs/dbraw/zinc/43/82/47/1088438247.db2.gz AMYXKVAQWYKXHI-CQSZACIVSA-N 2 2 316.449 3.193 20 0 DGADLP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015168 1088438253 /nfs/dbraw/zinc/43/82/53/1088438253.db2.gz AMYXKVAQWYKXHI-CQSZACIVSA-N 2 2 316.449 3.193 20 0 DGADLP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015951 1088441942 /nfs/dbraw/zinc/44/19/42/1088441942.db2.gz YKZOMQZHDFGXAT-UONOGXRCSA-N 2 2 316.449 3.049 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015951 1088441952 /nfs/dbraw/zinc/44/19/52/1088441952.db2.gz YKZOMQZHDFGXAT-UONOGXRCSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1c[nH+]c(C)c(N(CC2CC[NH2+]CC2)c2ccccc2N)c1 ZINC001159894480 1088535608 /nfs/dbraw/zinc/53/56/08/1088535608.db2.gz DYEGFGYHILORKB-UHFFFAOYSA-N 2 2 310.445 3.418 20 0 DGADLP COc1cc(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)cc(C)[nH+]1 ZINC001159986806 1088587540 /nfs/dbraw/zinc/58/75/40/1088587540.db2.gz OKDAJZGMDUGGHO-AWEZNQCLSA-N 2 2 312.417 3.070 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403152 1088598040 /nfs/dbraw/zinc/59/80/40/1088598040.db2.gz DDGMZSOEUFADFH-CZUORRHYSA-N 2 2 319.493 3.493 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403152 1088598071 /nfs/dbraw/zinc/59/80/71/1088598071.db2.gz DDGMZSOEUFADFH-CZUORRHYSA-N 2 2 319.493 3.493 20 0 DGADLP CCc1cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)nc(C)[nH+]1 ZINC001160010360 1088600169 /nfs/dbraw/zinc/60/01/69/1088600169.db2.gz FVNAZXNYYOOPSP-ZDUSSCGKSA-N 2 2 308.429 3.489 20 0 DGADLP CCC/C=C\CC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160993312 1089063700 /nfs/dbraw/zinc/06/37/00/1089063700.db2.gz ZSBXGYHNIXGSMK-PLNGDYQASA-N 2 2 314.433 3.019 20 0 DGADLP Cc1cccc2c(C)cc(NCC[C@@H]3CCOC34C[NH2+]C4)[nH+]c12 ZINC001155472233 1089126420 /nfs/dbraw/zinc/12/64/20/1089126420.db2.gz ZVAHBZKVLYHKRS-OAHLLOKOSA-N 2 2 311.429 3.032 20 0 DGADLP C[NH+]1CCN(c2ccccc2Nc2cccc3[nH+]c[nH]c32)CC1 ZINC001213030706 1089137012 /nfs/dbraw/zinc/13/70/12/1089137012.db2.gz NMZORXVSQLNLJH-UHFFFAOYSA-N 2 2 307.401 3.058 20 0 DGADLP Cc1cc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]c2ccccc12 ZINC001161277103 1089176615 /nfs/dbraw/zinc/17/66/15/1089176615.db2.gz PXXVYLPRASPQMH-SHTZXODSSA-N 2 2 311.429 3.018 20 0 DGADLP CCSc1cc[nH+]c(NCC2(CCOC)CC[NH2+]CC2)c1 ZINC001161505211 1089267369 /nfs/dbraw/zinc/26/73/69/1089267369.db2.gz RNSMASZDVOUHCQ-UHFFFAOYSA-N 2 2 309.479 3.012 20 0 DGADLP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1Br ZINC001236529937 1089293728 /nfs/dbraw/zinc/29/37/28/1089293728.db2.gz OAIBNXINKQAUTN-CQSZACIVSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1Br ZINC001236529937 1089293744 /nfs/dbraw/zinc/29/37/44/1089293744.db2.gz OAIBNXINKQAUTN-CQSZACIVSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC001161924381 1089473912 /nfs/dbraw/zinc/47/39/12/1089473912.db2.gz UULAZJPVMNJBFA-KRWDZBQOSA-N 2 2 322.456 3.350 20 0 DGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC001161924381 1089473953 /nfs/dbraw/zinc/47/39/53/1089473953.db2.gz UULAZJPVMNJBFA-KRWDZBQOSA-N 2 2 322.456 3.350 20 0 DGADLP Cc1nc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC001161924486 1089475500 /nfs/dbraw/zinc/47/55/00/1089475500.db2.gz VDCJYMIIUHUEJB-QGZVFWFLSA-N 2 2 324.472 3.249 20 0 DGADLP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484746789 1089639490 /nfs/dbraw/zinc/63/94/90/1089639490.db2.gz HBFAPZSNWZYIAA-AWEZNQCLSA-N 2 2 316.449 3.003 20 0 DGADLP CC[C@H](C)C[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484746789 1089639496 /nfs/dbraw/zinc/63/94/96/1089639496.db2.gz HBFAPZSNWZYIAA-AWEZNQCLSA-N 2 2 316.449 3.003 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1c1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156763982 1089684040 /nfs/dbraw/zinc/68/40/40/1089684040.db2.gz MMRRTXVEJPKAFE-INIZCTEOSA-N 2 2 311.433 3.218 20 0 DGADLP CC[N@H+]1CCCC[C@H]1c1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001156763982 1089684049 /nfs/dbraw/zinc/68/40/49/1089684049.db2.gz MMRRTXVEJPKAFE-INIZCTEOSA-N 2 2 311.433 3.218 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001162553910 1089786308 /nfs/dbraw/zinc/78/63/08/1089786308.db2.gz ATGBFUHWIZACAG-QGZVFWFLSA-N 2 2 322.456 3.023 20 0 DGADLP COc1cccc2c(NC[C@@]3(F)CCCC[NH2+]C3)cc[nH+]c12 ZINC001162588005 1089813726 /nfs/dbraw/zinc/81/37/26/1089813726.db2.gz ZYLZOLXEAQEBFY-QGZVFWFLSA-N 2 2 303.381 3.137 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC[C@H]3CCC(F)(F)C3)c2)C1 ZINC001162655037 1089862084 /nfs/dbraw/zinc/86/20/84/1089862084.db2.gz HEAPSXMCLZJACX-LSDHHAIUSA-N 2 2 309.404 3.067 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC[C@H]3CCC(F)(F)C3)c2)C1 ZINC001162655037 1089862096 /nfs/dbraw/zinc/86/20/96/1089862096.db2.gz HEAPSXMCLZJACX-LSDHHAIUSA-N 2 2 309.404 3.067 20 0 DGADLP CCOC(=O)c1cc2c(cc(C)[nH+]c2NC(=[NH2+])C(C)(C)C)n1C ZINC001162657631 1089864054 /nfs/dbraw/zinc/86/40/54/1089864054.db2.gz NFIAWUQLAUXJFU-UHFFFAOYSA-N 2 2 316.405 3.494 20 0 DGADLP CCc1nc(-n2cc(CC[NH3+])c3c2cccc3Cl)cc(C)[nH+]1 ZINC001162658629 1089865518 /nfs/dbraw/zinc/86/55/18/1089865518.db2.gz FLYVPRQMYFFUTM-UHFFFAOYSA-N 2 2 314.820 3.446 20 0 DGADLP Cc1cc(C)c(C(=O)NC2CC(C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001485096900 1089951620 /nfs/dbraw/zinc/95/16/20/1089951620.db2.gz BTBNTLNPHQCPJC-UHFFFAOYSA-N 2 2 317.477 3.151 20 0 DGADLP CCCc1cc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC001157435986 1089966528 /nfs/dbraw/zinc/96/65/28/1089966528.db2.gz UHMMDWXASSMGBU-LJQANCHMSA-N 2 2 324.472 3.496 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162815913 1089974181 /nfs/dbraw/zinc/97/41/81/1089974181.db2.gz QYHLREDIJLQOBS-UHFFFAOYSA-N 2 2 318.424 3.345 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001162909978 1090019600 /nfs/dbraw/zinc/01/96/00/1090019600.db2.gz FOFPOBFLVLYMAJ-UHFFFAOYSA-N 2 2 305.466 3.153 20 0 DGADLP FC(F)(F)c1c[nH+]ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC001162948167 1090033029 /nfs/dbraw/zinc/03/30/29/1090033029.db2.gz AOYFYVNOMFINCK-UHFFFAOYSA-N 2 2 318.302 3.320 20 0 DGADLP Cc1cccc2c1cc[nH+]c2Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001163052594 1090063735 /nfs/dbraw/zinc/06/37/35/1090063735.db2.gz HANHPWQYRKHLTG-OAHLLOKOSA-N 2 2 307.397 3.321 20 0 DGADLP CCC[N@@H+](Cc1cc(F)c(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844458 1090071235 /nfs/dbraw/zinc/07/12/35/1090071235.db2.gz VAIBHGKDKKPQMD-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1cc(F)c(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844458 1090071246 /nfs/dbraw/zinc/07/12/46/1090071246.db2.gz VAIBHGKDKKPQMD-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP Cc1cc2[nH]ccc2c(-n2cnc(-c3ccc(C[NH3+])cc3)c2)[nH+]1 ZINC001163218598 1090119576 /nfs/dbraw/zinc/11/95/76/1090119576.db2.gz PKOZAPXODFAUNL-UHFFFAOYSA-N 2 2 303.369 3.183 20 0 DGADLP Fc1ccc(N[C@H]2C[NH2+]Cc3ccsc32)cc1-n1cc[nH+]c1 ZINC001163239218 1090130741 /nfs/dbraw/zinc/13/07/41/1090130741.db2.gz PLLKKJTXUDBZJX-AWEZNQCLSA-N 2 2 314.389 3.329 20 0 DGADLP Cc1ccc(Nc2c(F)cccc2N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC001203380035 1090133872 /nfs/dbraw/zinc/13/38/72/1090133872.db2.gz GITSHNYFUXSNTQ-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP Cc1ccc(C(C)(C)Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)cc1 ZINC001157979888 1090162608 /nfs/dbraw/zinc/16/26/08/1090162608.db2.gz QGRURSVIBJQSCM-UHFFFAOYSA-N 2 2 324.472 3.489 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@@H+](C(C)C)C[C@H]3C)c2c1C ZINC001163366158 1090164850 /nfs/dbraw/zinc/16/48/50/1090164850.db2.gz RZXFVABVNBCTJG-BXUZGUMPSA-N 2 2 301.438 3.105 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@H+](C(C)C)C[C@H]3C)c2c1C ZINC001163366158 1090164857 /nfs/dbraw/zinc/16/48/57/1090164857.db2.gz RZXFVABVNBCTJG-BXUZGUMPSA-N 2 2 301.438 3.105 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001236871054 1090175574 /nfs/dbraw/zinc/17/55/74/1090175574.db2.gz WUJMZHSUNSZRDR-NSHDSACASA-N 2 2 308.319 3.092 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001236871054 1090175579 /nfs/dbraw/zinc/17/55/79/1090175579.db2.gz WUJMZHSUNSZRDR-NSHDSACASA-N 2 2 308.319 3.092 20 0 DGADLP Fc1ccc2c[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)cc2c1 ZINC001163646379 1090222789 /nfs/dbraw/zinc/22/27/89/1090222789.db2.gz PXUJFRYQIIMOEF-FUHWJXTLSA-N 2 2 315.392 3.087 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])N(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001164079593 1090336050 /nfs/dbraw/zinc/33/60/50/1090336050.db2.gz VLQATMZXDWWYND-NVXWUHKLSA-N 2 2 324.472 3.399 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c[nH+]1 ZINC001164493532 1090432500 /nfs/dbraw/zinc/43/25/00/1090432500.db2.gz UDXSBOIBOVPWMR-BHIYHBOVSA-N 2 2 322.456 3.446 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c[nH+]1 ZINC001164493532 1090432503 /nfs/dbraw/zinc/43/25/03/1090432503.db2.gz UDXSBOIBOVPWMR-BHIYHBOVSA-N 2 2 322.456 3.446 20 0 DGADLP c1ccc(C[NH+]2CC3(CN(c4ccc5c([nH+]4)CCCC5)C3)C2)cc1 ZINC001165122823 1090467754 /nfs/dbraw/zinc/46/77/54/1090467754.db2.gz RSAVZEYQXQTUCY-UHFFFAOYSA-N 2 2 319.452 3.283 20 0 DGADLP COc1ccc2[nH+]c(N3CC[C@]4(C3)CCC[NH2+]C4)cc(C)c2c1 ZINC001165238495 1090486006 /nfs/dbraw/zinc/48/60/06/1090486006.db2.gz CISWBNSXWJJYCV-LJQANCHMSA-N 2 2 311.429 3.132 20 0 DGADLP Cn1ccc2cc[nH+]c(NCC3C[NH+](Cc4ccccc4)C3)c21 ZINC001165441834 1090521548 /nfs/dbraw/zinc/52/15/48/1090521548.db2.gz FVLZNLHNRICHOE-UHFFFAOYSA-N 2 2 306.413 3.117 20 0 DGADLP CCc1[nH]c(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)[nH+]1 ZINC001203243199 1090708014 /nfs/dbraw/zinc/70/80/14/1090708014.db2.gz IXKDRVDFSNNKFE-MRXNPFEDSA-N 2 2 304.482 3.121 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)o1 ZINC001203292772 1090713933 /nfs/dbraw/zinc/71/39/33/1090713933.db2.gz XWLIDLCHXPQPDE-OALUTQOASA-N 2 2 310.441 3.460 20 0 DGADLP C[N@@H+](Cc1c(F)c(F)c(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001203365690 1090727087 /nfs/dbraw/zinc/72/70/87/1090727087.db2.gz BSPJJSJYTBACIT-UHFFFAOYSA-N 2 2 322.321 3.156 20 0 DGADLP C[N@H+](Cc1c(F)c(F)c(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001203365690 1090727091 /nfs/dbraw/zinc/72/70/91/1090727091.db2.gz BSPJJSJYTBACIT-UHFFFAOYSA-N 2 2 322.321 3.156 20 0 DGADLP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001486204758 1090787406 /nfs/dbraw/zinc/78/74/06/1090787406.db2.gz HBPRQDADYPIDJJ-IRXDYDNUSA-N 2 2 317.477 3.295 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001203914214 1090837551 /nfs/dbraw/zinc/83/75/51/1090837551.db2.gz LMVCAUCXKPHCBH-IBGZPJMESA-N 2 2 320.452 3.149 20 0 DGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001203914214 1090837557 /nfs/dbraw/zinc/83/75/57/1090837557.db2.gz LMVCAUCXKPHCBH-IBGZPJMESA-N 2 2 320.452 3.149 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001203914214 1090837560 /nfs/dbraw/zinc/83/75/60/1090837560.db2.gz LMVCAUCXKPHCBH-IBGZPJMESA-N 2 2 320.452 3.149 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001203914214 1090837563 /nfs/dbraw/zinc/83/75/63/1090837563.db2.gz LMVCAUCXKPHCBH-IBGZPJMESA-N 2 2 320.452 3.149 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001203971863 1090856036 /nfs/dbraw/zinc/85/60/36/1090856036.db2.gz KGXJCYGABOLQBB-IEBWSBKVSA-N 2 2 302.462 3.249 20 0 DGADLP CCCCOc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001203971863 1090856043 /nfs/dbraw/zinc/85/60/43/1090856043.db2.gz KGXJCYGABOLQBB-IEBWSBKVSA-N 2 2 302.462 3.249 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204078186 1090893162 /nfs/dbraw/zinc/89/31/62/1090893162.db2.gz RAMRAHDSKUTNPX-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204078186 1090893170 /nfs/dbraw/zinc/89/31/70/1090893170.db2.gz RAMRAHDSKUTNPX-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204078186 1090893178 /nfs/dbraw/zinc/89/31/78/1090893178.db2.gz RAMRAHDSKUTNPX-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204078186 1090893185 /nfs/dbraw/zinc/89/31/85/1090893185.db2.gz RAMRAHDSKUTNPX-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078184 1090893595 /nfs/dbraw/zinc/89/35/95/1090893595.db2.gz RAMRAHDSKUTNPX-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078184 1090893598 /nfs/dbraw/zinc/89/35/98/1090893598.db2.gz RAMRAHDSKUTNPX-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078184 1090893601 /nfs/dbraw/zinc/89/36/01/1090893601.db2.gz RAMRAHDSKUTNPX-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078184 1090893609 /nfs/dbraw/zinc/89/36/09/1090893609.db2.gz RAMRAHDSKUTNPX-UXHICEINSA-N 2 2 307.441 3.036 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C)c1OC ZINC001204267399 1090937533 /nfs/dbraw/zinc/93/75/33/1090937533.db2.gz NGHJUHKJKFLZGP-UHFFFAOYSA-N 2 2 308.466 3.176 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(C)c1OC ZINC001204267399 1090937535 /nfs/dbraw/zinc/93/75/35/1090937535.db2.gz NGHJUHKJKFLZGP-UHFFFAOYSA-N 2 2 308.466 3.176 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001204391613 1090960943 /nfs/dbraw/zinc/96/09/43/1090960943.db2.gz RORJRXUUFKJVHR-GASCZTMLSA-N 2 2 316.470 3.467 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001204391613 1090960950 /nfs/dbraw/zinc/96/09/50/1090960950.db2.gz RORJRXUUFKJVHR-GASCZTMLSA-N 2 2 316.470 3.467 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001204391613 1090960952 /nfs/dbraw/zinc/96/09/52/1090960952.db2.gz RORJRXUUFKJVHR-GASCZTMLSA-N 2 2 316.470 3.467 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001204391613 1090960956 /nfs/dbraw/zinc/96/09/56/1090960956.db2.gz RORJRXUUFKJVHR-GASCZTMLSA-N 2 2 316.470 3.467 20 0 DGADLP CC/C=C\CCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276465915 1090972591 /nfs/dbraw/zinc/97/25/91/1090972591.db2.gz UFQRVULWYIVGLQ-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276465915 1090972597 /nfs/dbraw/zinc/97/25/97/1090972597.db2.gz UFQRVULWYIVGLQ-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276465915 1090972603 /nfs/dbraw/zinc/97/26/03/1090972603.db2.gz UFQRVULWYIVGLQ-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276465915 1090972608 /nfs/dbraw/zinc/97/26/08/1090972608.db2.gz UFQRVULWYIVGLQ-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP C[NH+](C)CCCCNc1c(Br)c[nH+]c2ccccc21 ZINC001161730390 1090986380 /nfs/dbraw/zinc/98/63/80/1090986380.db2.gz AATBYYBGAHPHBL-UHFFFAOYSA-N 2 2 322.250 3.173 20 0 DGADLP Cc1ccc(-c2ccccc2)c(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168736300 1091024055 /nfs/dbraw/zinc/02/40/55/1091024055.db2.gz DWLVNGWTFYZAMU-UHFFFAOYSA-N 2 2 308.429 3.256 20 0 DGADLP CC1=CC[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001204768860 1091033853 /nfs/dbraw/zinc/03/38/53/1091033853.db2.gz NPUJYPPLDGHIBD-UHFFFAOYSA-N 2 2 324.371 3.222 20 0 DGADLP CC1=CC[N@@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001204768860 1091033859 /nfs/dbraw/zinc/03/38/59/1091033859.db2.gz NPUJYPPLDGHIBD-UHFFFAOYSA-N 2 2 324.371 3.222 20 0 DGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001204810181 1091041026 /nfs/dbraw/zinc/04/10/26/1091041026.db2.gz ORNHTJHKPKYUOH-KRWDZBQOSA-N 2 2 301.821 3.325 20 0 DGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001204810181 1091041031 /nfs/dbraw/zinc/04/10/31/1091041031.db2.gz ORNHTJHKPKYUOH-KRWDZBQOSA-N 2 2 301.821 3.325 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204939748 1091067279 /nfs/dbraw/zinc/06/72/79/1091067279.db2.gz SVLQGLBHTOSANL-KRWDZBQOSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204939748 1091067287 /nfs/dbraw/zinc/06/72/87/1091067287.db2.gz SVLQGLBHTOSANL-KRWDZBQOSA-N 2 2 301.459 3.432 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001205009154 1091083454 /nfs/dbraw/zinc/08/34/54/1091083454.db2.gz IKECCNZKGFMJHA-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001205009154 1091083462 /nfs/dbraw/zinc/08/34/62/1091083462.db2.gz IKECCNZKGFMJHA-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1C ZINC001205076906 1091096159 /nfs/dbraw/zinc/09/61/59/1091096159.db2.gz ZYDZHWYIDCSYQQ-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1C ZINC001205076906 1091096164 /nfs/dbraw/zinc/09/61/64/1091096164.db2.gz ZYDZHWYIDCSYQQ-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1C ZINC001205076906 1091096169 /nfs/dbraw/zinc/09/61/69/1091096169.db2.gz ZYDZHWYIDCSYQQ-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1C ZINC001205076906 1091096174 /nfs/dbraw/zinc/09/61/74/1091096174.db2.gz ZYDZHWYIDCSYQQ-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088254 1091099260 /nfs/dbraw/zinc/09/92/60/1091099260.db2.gz MJHQJTBGWAYJTF-KSSFIOAISA-N 2 2 311.429 3.069 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088254 1091099267 /nfs/dbraw/zinc/09/92/67/1091099267.db2.gz MJHQJTBGWAYJTF-KSSFIOAISA-N 2 2 311.429 3.069 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(Br)cc1F ZINC001205124408 1091108414 /nfs/dbraw/zinc/10/84/14/1091108414.db2.gz QJYHULZAZXUHEC-GFCCVEGCSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(Br)cc1F ZINC001205124408 1091108417 /nfs/dbraw/zinc/10/84/17/1091108417.db2.gz QJYHULZAZXUHEC-GFCCVEGCSA-N 2 2 315.230 3.210 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3nccnc23)C2CCCC2)CC1 ZINC001138309937 1091136728 /nfs/dbraw/zinc/13/67/28/1091136728.db2.gz VFJRFKIQWPWSOE-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3nccnc23)C2CCCC2)CC1 ZINC001138309937 1091136733 /nfs/dbraw/zinc/13/67/33/1091136733.db2.gz VFJRFKIQWPWSOE-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP COc1c(F)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205280581 1091161896 /nfs/dbraw/zinc/16/18/96/1091161896.db2.gz CWKZURZCTYAKIE-HNNXBMFYSA-N 2 2 300.805 3.191 20 0 DGADLP COc1c(F)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205280581 1091161903 /nfs/dbraw/zinc/16/19/03/1091161903.db2.gz CWKZURZCTYAKIE-HNNXBMFYSA-N 2 2 300.805 3.191 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@H]1C[NH3+] ZINC001205303196 1091172445 /nfs/dbraw/zinc/17/24/45/1091172445.db2.gz AVGSXIUZTNCTEW-GXSJLCMTSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@H]1C[NH3+] ZINC001205303196 1091172450 /nfs/dbraw/zinc/17/24/50/1091172450.db2.gz AVGSXIUZTNCTEW-GXSJLCMTSA-N 2 2 322.321 3.400 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001138487205 1091201026 /nfs/dbraw/zinc/20/10/26/1091201026.db2.gz HIBUHYVLVAZUBF-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)nc1 ZINC001205450166 1091225215 /nfs/dbraw/zinc/22/52/15/1091225215.db2.gz ZGWUQDBRDARMNK-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)nc1 ZINC001205450166 1091225223 /nfs/dbraw/zinc/22/52/23/1091225223.db2.gz ZGWUQDBRDARMNK-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1N1CCCCC1 ZINC001138607380 1091250653 /nfs/dbraw/zinc/25/06/53/1091250653.db2.gz JGQXGPCREOUBHC-UHFFFAOYSA-N 2 2 312.461 3.396 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1N1CCCCC1 ZINC001138607380 1091250663 /nfs/dbraw/zinc/25/06/63/1091250663.db2.gz JGQXGPCREOUBHC-UHFFFAOYSA-N 2 2 312.461 3.396 20 0 DGADLP C/C(=C\c1cccnc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001293588767 1091260886 /nfs/dbraw/zinc/26/08/86/1091260886.db2.gz FGUZETVBHKBJAP-JLHYYAGUSA-N 2 2 319.368 3.013 20 0 DGADLP c1cn(Cc2ccccc2-c2ccc(N3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001205575110 1091262118 /nfs/dbraw/zinc/26/21/18/1091262118.db2.gz QPKNHLPJOAGRLD-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP CCCn1ncc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001138642304 1091272934 /nfs/dbraw/zinc/27/29/34/1091272934.db2.gz URUOVAKBNGAGHY-UHFFFAOYSA-N 2 2 323.444 3.419 20 0 DGADLP CCCn1ncc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001138642304 1091272941 /nfs/dbraw/zinc/27/29/41/1091272941.db2.gz URUOVAKBNGAGHY-UHFFFAOYSA-N 2 2 323.444 3.419 20 0 DGADLP c1cc2c(cc1C[NH+]1CCC([NH+]3CCCC3)CC1)CCCO2 ZINC001138712813 1091295197 /nfs/dbraw/zinc/29/51/97/1091295197.db2.gz PSLVPSQPVWQASQ-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP Cc1cc(-c2ccc(CC[NH+]3CCOCC3)cc2)cn2cc[nH+]c12 ZINC001205664316 1091304375 /nfs/dbraw/zinc/30/43/75/1091304375.db2.gz QOWLAJYBKPNTDP-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3ccc(Cl)cc23)CCC1(F)F ZINC001205762654 1091337104 /nfs/dbraw/zinc/33/71/04/1091337104.db2.gz MMOUDFZJRJCEPC-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(Cl)cc23)CCC1(F)F ZINC001205762654 1091337113 /nfs/dbraw/zinc/33/71/13/1091337113.db2.gz MMOUDFZJRJCEPC-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3[nH]cc(Cl)c32)CCC1(F)F ZINC001205762834 1091337263 /nfs/dbraw/zinc/33/72/63/1091337263.db2.gz NQOXBCLOSCXIEC-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CCC1(F)F ZINC001205762834 1091337271 /nfs/dbraw/zinc/33/72/71/1091337271.db2.gz NQOXBCLOSCXIEC-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3[nH]cc(Cl)c32)CCC1(F)F ZINC001205762837 1091337743 /nfs/dbraw/zinc/33/77/43/1091337743.db2.gz NQOXBCLOSCXIEC-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CCC1(F)F ZINC001205762837 1091337755 /nfs/dbraw/zinc/33/77/55/1091337755.db2.gz NQOXBCLOSCXIEC-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCC1(F)F ZINC001205769094 1091340276 /nfs/dbraw/zinc/34/02/76/1091340276.db2.gz HRJFMRJMRRGQSE-ZDUSSCGKSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCC1(F)F ZINC001205769094 1091340289 /nfs/dbraw/zinc/34/02/89/1091340289.db2.gz HRJFMRJMRRGQSE-ZDUSSCGKSA-N 2 2 323.412 3.226 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806576 1091358787 /nfs/dbraw/zinc/35/87/87/1091358787.db2.gz ULEPRMGVJKHIBV-WCQYABFASA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806576 1091358798 /nfs/dbraw/zinc/35/87/98/1091358798.db2.gz ULEPRMGVJKHIBV-WCQYABFASA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828210 1091369898 /nfs/dbraw/zinc/36/98/98/1091369898.db2.gz KCIGVERCPCJHHB-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828210 1091369910 /nfs/dbraw/zinc/36/99/10/1091369910.db2.gz KCIGVERCPCJHHB-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829910 1091370599 /nfs/dbraw/zinc/37/05/99/1091370599.db2.gz QCCRRZGGAFSLML-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829910 1091370611 /nfs/dbraw/zinc/37/06/11/1091370611.db2.gz QCCRRZGGAFSLML-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001205843355 1091374788 /nfs/dbraw/zinc/37/47/88/1091374788.db2.gz RPFXTWVPEQGGSH-CJNGLKHVSA-N 2 2 318.852 3.085 20 0 DGADLP Cc1cnccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205868102 1091386786 /nfs/dbraw/zinc/38/67/86/1091386786.db2.gz UXLJOBGQGHDWOB-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205868102 1091386794 /nfs/dbraw/zinc/38/67/94/1091386794.db2.gz UXLJOBGQGHDWOB-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205868102 1091386805 /nfs/dbraw/zinc/38/68/05/1091386805.db2.gz UXLJOBGQGHDWOB-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205868102 1091386816 /nfs/dbraw/zinc/38/68/16/1091386816.db2.gz UXLJOBGQGHDWOB-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Br ZINC001205901034 1091399288 /nfs/dbraw/zinc/39/92/88/1091399288.db2.gz ASKDYBMROABIEZ-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Br ZINC001205901034 1091399295 /nfs/dbraw/zinc/39/92/95/1091399295.db2.gz ASKDYBMROABIEZ-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC001205902265 1091399845 /nfs/dbraw/zinc/39/98/45/1091399845.db2.gz JJWBCZFBKUWZPL-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Br ZINC001205902265 1091399857 /nfs/dbraw/zinc/39/98/57/1091399857.db2.gz JJWBCZFBKUWZPL-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(C(F)(F)F)c1 ZINC001205913760 1091407906 /nfs/dbraw/zinc/40/79/06/1091407906.db2.gz JOOBTCMVARGLAM-AAEUAGOBSA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(C(F)(F)F)c1 ZINC001205913760 1091407915 /nfs/dbraw/zinc/40/79/15/1091407915.db2.gz JOOBTCMVARGLAM-AAEUAGOBSA-N 2 2 316.367 3.273 20 0 DGADLP CCCn1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001139040721 1091426926 /nfs/dbraw/zinc/42/69/26/1091426926.db2.gz OXBPRYUDPTXQFB-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CCCn1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001139040721 1091426935 /nfs/dbraw/zinc/42/69/35/1091426935.db2.gz OXBPRYUDPTXQFB-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139059217 1091431867 /nfs/dbraw/zinc/43/18/67/1091431867.db2.gz QHCMHZRPZZWVSY-UHFFFAOYSA-N 2 2 316.489 3.387 20 0 DGADLP CC[N@H+](Cc1cn(C)c2ccc(OC)cc12)C1CC[NH+](C)CC1 ZINC001139150527 1091465213 /nfs/dbraw/zinc/46/52/13/1091465213.db2.gz PCXFXRYYFGFJPZ-UHFFFAOYSA-N 2 2 315.461 3.103 20 0 DGADLP CC[N@@H+](Cc1cn(C)c2ccc(OC)cc12)C1CC[NH+](C)CC1 ZINC001139150527 1091465218 /nfs/dbraw/zinc/46/52/18/1091465218.db2.gz PCXFXRYYFGFJPZ-UHFFFAOYSA-N 2 2 315.461 3.103 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]C2CC(OC)C2)[NH+](CC)CC)cc1 ZINC001206048260 1091469602 /nfs/dbraw/zinc/46/96/02/1091469602.db2.gz PPIROPSLAWPGRD-CTWPCTMYSA-N 2 2 304.478 3.399 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3nonc3c2)C2CCCC2)CC1 ZINC001139225059 1091493436 /nfs/dbraw/zinc/49/34/36/1091493436.db2.gz PCANCLNVLBIFNI-UHFFFAOYSA-N 2 2 314.433 3.062 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3nonc3c2)C2CCCC2)CC1 ZINC001139225059 1091493443 /nfs/dbraw/zinc/49/34/43/1091493443.db2.gz PCANCLNVLBIFNI-UHFFFAOYSA-N 2 2 314.433 3.062 20 0 DGADLP C[N@H+](Cc1ccc(Oc2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139243954 1091498595 /nfs/dbraw/zinc/49/85/95/1091498595.db2.gz JCPWAUMETLFHEC-UHFFFAOYSA-N 2 2 311.429 3.400 20 0 DGADLP C[N@@H+](Cc1ccc(Oc2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139243954 1091498600 /nfs/dbraw/zinc/49/86/00/1091498600.db2.gz JCPWAUMETLFHEC-UHFFFAOYSA-N 2 2 311.429 3.400 20 0 DGADLP F[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(F)F ZINC001139358340 1091534037 /nfs/dbraw/zinc/53/40/37/1091534037.db2.gz PEOTXFSJXCGOIL-OAHLLOKOSA-N 2 2 309.335 3.442 20 0 DGADLP F[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(F)F ZINC001139358340 1091534047 /nfs/dbraw/zinc/53/40/47/1091534047.db2.gz PEOTXFSJXCGOIL-OAHLLOKOSA-N 2 2 309.335 3.442 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)CC[C@H]1F ZINC001206212498 1091538751 /nfs/dbraw/zinc/53/87/51/1091538751.db2.gz RUXPJRMQPVQBBI-KGLIPLIRSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)CC[C@H]1F ZINC001206212498 1091538757 /nfs/dbraw/zinc/53/87/57/1091538757.db2.gz RUXPJRMQPVQBBI-KGLIPLIRSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001206337693 1091585684 /nfs/dbraw/zinc/58/56/84/1091585684.db2.gz VJAWDCSCHXWEMW-OAHLLOKOSA-N 2 2 318.358 3.401 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001206337693 1091585689 /nfs/dbraw/zinc/58/56/89/1091585689.db2.gz VJAWDCSCHXWEMW-OAHLLOKOSA-N 2 2 318.358 3.401 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001206369326 1091601853 /nfs/dbraw/zinc/60/18/53/1091601853.db2.gz BYUNGJUFMHPLCW-IBGZPJMESA-N 2 2 313.420 3.402 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001206369326 1091601857 /nfs/dbraw/zinc/60/18/57/1091601857.db2.gz BYUNGJUFMHPLCW-IBGZPJMESA-N 2 2 313.420 3.402 20 0 DGADLP CCOc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)cc1Cl ZINC001139597735 1091615037 /nfs/dbraw/zinc/61/50/37/1091615037.db2.gz ISSRDTLUTDWLFC-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1Cl ZINC001139597735 1091615044 /nfs/dbraw/zinc/61/50/44/1091615044.db2.gz ISSRDTLUTDWLFC-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001206547613 1091664173 /nfs/dbraw/zinc/66/41/73/1091664173.db2.gz DNBIKIJJKQCANL-INIZCTEOSA-N 2 2 310.825 3.020 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001206547613 1091664176 /nfs/dbraw/zinc/66/41/76/1091664176.db2.gz DNBIKIJJKQCANL-INIZCTEOSA-N 2 2 310.825 3.020 20 0 DGADLP CCC(CC)[N@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139765082 1091667887 /nfs/dbraw/zinc/66/78/87/1091667887.db2.gz UQDZMZOJMCJHEU-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CCC(CC)[N@@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139765082 1091667891 /nfs/dbraw/zinc/66/78/91/1091667891.db2.gz UQDZMZOJMCJHEU-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP COc1c(F)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206771363 1091734091 /nfs/dbraw/zinc/73/40/91/1091734091.db2.gz WJNYCPMDWNWDPN-GHMZBOCLSA-N 2 2 300.805 3.047 20 0 DGADLP COc1c(F)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206771363 1091734099 /nfs/dbraw/zinc/73/40/99/1091734099.db2.gz WJNYCPMDWNWDPN-GHMZBOCLSA-N 2 2 300.805 3.047 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001140025706 1091742576 /nfs/dbraw/zinc/74/25/76/1091742576.db2.gz RUDWOVKLBSWFLT-UCLAIMLFSA-N 2 2 311.429 3.180 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001140025706 1091742583 /nfs/dbraw/zinc/74/25/83/1091742583.db2.gz RUDWOVKLBSWFLT-UCLAIMLFSA-N 2 2 311.429 3.180 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140354590 1091838444 /nfs/dbraw/zinc/83/84/44/1091838444.db2.gz DILYRWHZMZVMTM-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140354590 1091838451 /nfs/dbraw/zinc/83/84/51/1091838451.db2.gz DILYRWHZMZVMTM-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP FC1CC[NH+](C2CC[NH+](CCOCc3ccccc3)CC2)CC1 ZINC001207235863 1091895907 /nfs/dbraw/zinc/89/59/07/1091895907.db2.gz QAEWMMZJMIWVCS-UHFFFAOYSA-N 2 2 320.452 3.102 20 0 DGADLP Cc1ccc(N2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c(C)c1 ZINC001207283164 1091909930 /nfs/dbraw/zinc/90/99/30/1091909930.db2.gz UUTVCYCPUCPUNS-UHFFFAOYSA-N 2 2 303.494 3.013 20 0 DGADLP COCC[N@H+](Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC001140638665 1091940673 /nfs/dbraw/zinc/94/06/73/1091940673.db2.gz VSVPAEZLCXOQQT-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP COCC[N@@H+](Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC001140638665 1091940680 /nfs/dbraw/zinc/94/06/80/1091940680.db2.gz VSVPAEZLCXOQQT-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c(C)c1 ZINC001140676804 1091954492 /nfs/dbraw/zinc/95/44/92/1091954492.db2.gz MOYKJBSVOFSIAI-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP Cc1nc(NCC2C[NH+](Cc3ccccc3)C2)cc(C(C)C)[nH+]1 ZINC000716298177 1091956364 /nfs/dbraw/zinc/95/63/64/1091956364.db2.gz LUWOWMFXVGCWJS-UHFFFAOYSA-N 2 2 310.445 3.452 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001140680855 1091957021 /nfs/dbraw/zinc/95/70/21/1091957021.db2.gz ZNWDOZDMFYUQCL-GOSISDBHSA-N 2 2 312.413 3.360 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001140680855 1091957027 /nfs/dbraw/zinc/95/70/27/1091957027.db2.gz ZNWDOZDMFYUQCL-GOSISDBHSA-N 2 2 312.413 3.360 20 0 DGADLP CCOC(=O)CCC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803420 1092008958 /nfs/dbraw/zinc/00/89/58/1092008958.db2.gz POKDAVLJXDJQEK-UHFFFAOYSA-N 2 2 315.417 3.118 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803618 1092009289 /nfs/dbraw/zinc/00/92/89/1092009289.db2.gz UKUNQPNODDIWAG-UHFFFAOYSA-N 3 2 321.428 3.005 20 0 DGADLP Fc1cccc(CN2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140803466 1092010184 /nfs/dbraw/zinc/01/01/84/1092010184.db2.gz QGEFYAPOXLUAML-UHFFFAOYSA-N 2 2 324.403 3.020 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805606 1092011166 /nfs/dbraw/zinc/01/11/66/1092011166.db2.gz KPQCTIQHLXQLMZ-HNNXBMFYSA-N 2 2 305.381 3.268 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805606 1092011177 /nfs/dbraw/zinc/01/11/77/1092011177.db2.gz KPQCTIQHLXQLMZ-HNNXBMFYSA-N 2 2 305.381 3.268 20 0 DGADLP Nc1cccc(F)c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140875188 1092042488 /nfs/dbraw/zinc/04/24/88/1092042488.db2.gz ZVIXWNXKPRMELU-OAHLLOKOSA-N 2 2 305.441 3.248 20 0 DGADLP Nc1cccc(F)c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140875188 1092042496 /nfs/dbraw/zinc/04/24/96/1092042496.db2.gz ZVIXWNXKPRMELU-OAHLLOKOSA-N 2 2 305.441 3.248 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140979550 1092090954 /nfs/dbraw/zinc/09/09/54/1092090954.db2.gz RLCMARGSCPTNDO-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP CC(C)[N@H+](Cc1ccc2cccc(O)c2n1)C1CC[NH+](C)CC1 ZINC001141025396 1092111443 /nfs/dbraw/zinc/11/14/43/1092111443.db2.gz KPDHKRHTHDNMLX-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2cccc(O)c2n1)C1CC[NH+](C)CC1 ZINC001141025396 1092111445 /nfs/dbraw/zinc/11/14/45/1092111445.db2.gz KPDHKRHTHDNMLX-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCCO2)CC1 ZINC001207964999 1092162358 /nfs/dbraw/zinc/16/23/58/1092162358.db2.gz SAVANUMTBZDTTD-IBGZPJMESA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCCO2)CC1 ZINC001207964999 1092162364 /nfs/dbraw/zinc/16/23/64/1092162364.db2.gz SAVANUMTBZDTTD-IBGZPJMESA-N 2 2 320.452 3.291 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141190742 1092168094 /nfs/dbraw/zinc/16/80/94/1092168094.db2.gz TVABFRXDLKPJIV-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141190742 1092168096 /nfs/dbraw/zinc/16/80/96/1092168096.db2.gz TVABFRXDLKPJIV-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP COc1ccsc1C[N@@H+]1CCCN(c2cccc(C)[nH+]2)CC1 ZINC001141327455 1092208449 /nfs/dbraw/zinc/20/84/49/1092208449.db2.gz VBPZIFMHLRSQTB-UHFFFAOYSA-N 2 2 317.458 3.172 20 0 DGADLP COc1ccsc1C[N@H+]1CCCN(c2cccc(C)[nH+]2)CC1 ZINC001141327455 1092208453 /nfs/dbraw/zinc/20/84/53/1092208453.db2.gz VBPZIFMHLRSQTB-UHFFFAOYSA-N 2 2 317.458 3.172 20 0 DGADLP CC[N@H+](CC1(c2ccccc2)CCOCC1)C1CC[NH+](C)CC1 ZINC001208228311 1092283138 /nfs/dbraw/zinc/28/31/38/1092283138.db2.gz YPJWTDTTXRFFRC-UHFFFAOYSA-N 2 2 316.489 3.151 20 0 DGADLP CC[N@@H+](CC1(c2ccccc2)CCOCC1)C1CC[NH+](C)CC1 ZINC001208228311 1092283149 /nfs/dbraw/zinc/28/31/49/1092283149.db2.gz YPJWTDTTXRFFRC-UHFFFAOYSA-N 2 2 316.489 3.151 20 0 DGADLP Fc1cc2ncccc2cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001141634480 1092302218 /nfs/dbraw/zinc/30/22/18/1092302218.db2.gz FEMHJAGXJMOTGV-KRWDZBQOSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1cc2ncccc2cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001141634480 1092302232 /nfs/dbraw/zinc/30/22/32/1092302232.db2.gz FEMHJAGXJMOTGV-KRWDZBQOSA-N 2 2 323.371 3.422 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001142187538 1092431813 /nfs/dbraw/zinc/43/18/13/1092431813.db2.gz BUYOUPUFTIXCGH-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001142187538 1092431820 /nfs/dbraw/zinc/43/18/20/1092431820.db2.gz BUYOUPUFTIXCGH-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142238256 1092445984 /nfs/dbraw/zinc/44/59/84/1092445984.db2.gz MGEHDODHXDKXBI-CQSZACIVSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142238256 1092445986 /nfs/dbraw/zinc/44/59/86/1092445986.db2.gz MGEHDODHXDKXBI-CQSZACIVSA-N 2 2 314.433 3.064 20 0 DGADLP CNc1ccc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c[nH+]1 ZINC001168994375 1092476292 /nfs/dbraw/zinc/47/62/92/1092476292.db2.gz BHSYAXMPLYIQMO-UHFFFAOYSA-N 2 2 315.808 3.007 20 0 DGADLP COc1ccc(CC[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001208761897 1092493902 /nfs/dbraw/zinc/49/39/02/1092493902.db2.gz FXMRDBIRSUFBDO-UHFFFAOYSA-N 2 2 320.477 3.051 20 0 DGADLP COc1ccc(CC[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001208761897 1092493910 /nfs/dbraw/zinc/49/39/10/1092493910.db2.gz FXMRDBIRSUFBDO-UHFFFAOYSA-N 2 2 320.477 3.051 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118616 1092541757 /nfs/dbraw/zinc/54/17/57/1092541757.db2.gz LYNYSRAEKHMHAI-HLPPOEQASA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118616 1092541766 /nfs/dbraw/zinc/54/17/66/1092541766.db2.gz LYNYSRAEKHMHAI-HLPPOEQASA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848789 1092565770 /nfs/dbraw/zinc/56/57/70/1092565770.db2.gz CLBHGFQTNWNNQB-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848789 1092565778 /nfs/dbraw/zinc/56/57/78/1092565778.db2.gz CLBHGFQTNWNNQB-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848789 1092565785 /nfs/dbraw/zinc/56/57/85/1092565785.db2.gz CLBHGFQTNWNNQB-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848789 1092565794 /nfs/dbraw/zinc/56/57/94/1092565794.db2.gz CLBHGFQTNWNNQB-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP CC1(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CCCCC1 ZINC001208897467 1092573525 /nfs/dbraw/zinc/57/35/25/1092573525.db2.gz YSTSBPKWGVXZSY-OALUTQOASA-N 2 2 313.489 3.416 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC001169226180 1092601971 /nfs/dbraw/zinc/60/19/71/1092601971.db2.gz RKEMIJOYSGENDB-OAHLLOKOSA-N 2 2 323.481 3.278 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC001169226180 1092601979 /nfs/dbraw/zinc/60/19/79/1092601979.db2.gz RKEMIJOYSGENDB-OAHLLOKOSA-N 2 2 323.481 3.278 20 0 DGADLP c1cn2cc(C[NH+]3CCC4(CC3)OCc3ccccc34)ccc2[nH+]1 ZINC001143028918 1092607637 /nfs/dbraw/zinc/60/76/37/1092607637.db2.gz MBAZITAVGIFEPA-UHFFFAOYSA-N 2 2 319.408 3.356 20 0 DGADLP c1nc2c(s1)C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208952847 1092609829 /nfs/dbraw/zinc/60/98/29/1092609829.db2.gz MRYDOTDUJUHAFJ-MRXNPFEDSA-N 2 2 313.470 3.023 20 0 DGADLP c1nc2c(s1)C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952847 1092609833 /nfs/dbraw/zinc/60/98/33/1092609833.db2.gz MRYDOTDUJUHAFJ-MRXNPFEDSA-N 2 2 313.470 3.023 20 0 DGADLP c1nc2c(s1)C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208952847 1092609836 /nfs/dbraw/zinc/60/98/36/1092609836.db2.gz MRYDOTDUJUHAFJ-MRXNPFEDSA-N 2 2 313.470 3.023 20 0 DGADLP c1nc2c(s1)C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208952847 1092609839 /nfs/dbraw/zinc/60/98/39/1092609839.db2.gz MRYDOTDUJUHAFJ-MRXNPFEDSA-N 2 2 313.470 3.023 20 0 DGADLP COc1cc(C)cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001143156899 1092624220 /nfs/dbraw/zinc/62/42/20/1092624220.db2.gz RTZBDQLWLWVWQI-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209121896 1092659776 /nfs/dbraw/zinc/65/97/76/1092659776.db2.gz LRFKSOSYSJQXEW-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209121896 1092659779 /nfs/dbraw/zinc/65/97/79/1092659779.db2.gz LRFKSOSYSJQXEW-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206633083 1092766566 /nfs/dbraw/zinc/76/65/66/1092766566.db2.gz SPDYQNUSPPYOMW-GFCCVEGCSA-N 2 2 314.832 3.439 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206633083 1092766571 /nfs/dbraw/zinc/76/65/71/1092766571.db2.gz SPDYQNUSPPYOMW-GFCCVEGCSA-N 2 2 314.832 3.439 20 0 DGADLP Cc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c(C)c1 ZINC001209451362 1092779452 /nfs/dbraw/zinc/77/94/52/1092779452.db2.gz VHVQYEIJGBYFPG-UHFFFAOYSA-N 2 2 315.505 3.301 20 0 DGADLP CC[NH+]1CCC(CC2CC[NH+](Cc3cn[nH]c3C)CC2)CC1 ZINC001209558500 1092821979 /nfs/dbraw/zinc/82/19/79/1092821979.db2.gz KFMNHNVYZGWDLG-UHFFFAOYSA-N 2 2 304.482 3.052 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276661528 1092865734 /nfs/dbraw/zinc/86/57/34/1092865734.db2.gz VWSMOUGZZPVFDX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276661528 1092865743 /nfs/dbraw/zinc/86/57/43/1092865743.db2.gz VWSMOUGZZPVFDX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(OC)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276661528 1092865752 /nfs/dbraw/zinc/86/57/52/1092865752.db2.gz VWSMOUGZZPVFDX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(OC)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276661528 1092865760 /nfs/dbraw/zinc/86/57/60/1092865760.db2.gz VWSMOUGZZPVFDX-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209694405 1092881110 /nfs/dbraw/zinc/88/11/10/1092881110.db2.gz OREDWRVKJHATOP-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209694405 1092881116 /nfs/dbraw/zinc/88/11/16/1092881116.db2.gz OREDWRVKJHATOP-UHFFFAOYSA-N 2 2 301.409 3.366 20 0 DGADLP Cn1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2cccnc21 ZINC001209745445 1092899643 /nfs/dbraw/zinc/89/96/43/1092899643.db2.gz WFKQXEJYOHGKDE-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP Cc1ccc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cccc2[nH+]1 ZINC001210266862 1093101992 /nfs/dbraw/zinc/10/19/92/1093101992.db2.gz RYELXBYSFXBAOD-UHFFFAOYSA-N 3 2 319.412 3.091 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210496081 1093187337 /nfs/dbraw/zinc/18/73/37/1093187337.db2.gz CMSKQUPJQFEXAH-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210496081 1093187353 /nfs/dbraw/zinc/18/73/53/1093187353.db2.gz CMSKQUPJQFEXAH-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP [NH3+]Cc1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001215491367 1093990053 /nfs/dbraw/zinc/99/00/53/1093990053.db2.gz GAYDIOYSGSKBTH-UHFFFAOYSA-N 2 2 317.352 3.048 20 0 DGADLP C[NH2+]Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1F ZINC001216220023 1094149423 /nfs/dbraw/zinc/14/94/23/1094149423.db2.gz AXUVMGYQCKOKEJ-UHFFFAOYSA-N 2 2 300.381 3.284 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404301650 1094253913 /nfs/dbraw/zinc/25/39/13/1094253913.db2.gz GKEBCBILODYOHM-BXUZGUMPSA-N 2 2 311.813 3.198 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404301650 1094253915 /nfs/dbraw/zinc/25/39/15/1094253915.db2.gz GKEBCBILODYOHM-BXUZGUMPSA-N 2 2 311.813 3.198 20 0 DGADLP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964523 1094351006 /nfs/dbraw/zinc/35/10/06/1094351006.db2.gz MQCPMYOQFOGRTL-GJZGRUSLSA-N 2 2 316.449 3.011 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001135042431 1094373039 /nfs/dbraw/zinc/37/30/39/1094373039.db2.gz BJTIONVAJULMHQ-ZFWWWQNUSA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C)c(C)[nH+]1 ZINC001135042675 1094373376 /nfs/dbraw/zinc/37/33/76/1094373376.db2.gz CAEUWILQBCOZMZ-ZFWWWQNUSA-N 2 2 305.466 3.149 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC001120469067 1094435584 /nfs/dbraw/zinc/43/55/84/1094435584.db2.gz VMDQIANHUFQESS-RTBURBONSA-N 2 2 321.424 3.027 20 0 DGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOCC1 ZINC001170810147 1094497338 /nfs/dbraw/zinc/49/73/38/1094497338.db2.gz XIXVRQWTMWVUCS-GOSISDBHSA-N 2 2 302.462 3.152 20 0 DGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOCC1 ZINC001170810147 1094497341 /nfs/dbraw/zinc/49/73/41/1094497341.db2.gz XIXVRQWTMWVUCS-GOSISDBHSA-N 2 2 302.462 3.152 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170835701 1094619668 /nfs/dbraw/zinc/61/96/68/1094619668.db2.gz UVRIBTVDPPYNLD-SFHVURJKSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170835701 1094619671 /nfs/dbraw/zinc/61/96/71/1094619671.db2.gz UVRIBTVDPPYNLD-SFHVURJKSA-N 2 2 320.452 3.291 20 0 DGADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001218499098 1094822196 /nfs/dbraw/zinc/82/21/96/1094822196.db2.gz MLAGUNRPJUHTFL-HOTGVXAUSA-N 2 2 320.396 3.156 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]([NH3+])CCC(C)C)cc2)[nH+]c1C ZINC001337069390 1094840140 /nfs/dbraw/zinc/84/01/40/1094840140.db2.gz USHACDMJKDBOLK-INIZCTEOSA-N 2 2 314.433 3.396 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000311080277 1094950021 /nfs/dbraw/zinc/95/00/21/1094950021.db2.gz WNLZFQZECJPXKC-GFCCVEGCSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000311080277 1094950033 /nfs/dbraw/zinc/95/00/33/1094950033.db2.gz WNLZFQZECJPXKC-GFCCVEGCSA-N 2 2 315.230 3.149 20 0 DGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC001338449361 1095308666 /nfs/dbraw/zinc/30/86/66/1095308666.db2.gz JOWVETNRKYPYSB-HNNXBMFYSA-N 2 2 323.456 3.029 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160796 1095466738 /nfs/dbraw/zinc/46/67/38/1095466738.db2.gz IRPDAQPGVZMXIO-QGZVFWFLSA-N 2 2 324.900 3.128 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160796 1095466742 /nfs/dbraw/zinc/46/67/42/1095466742.db2.gz IRPDAQPGVZMXIO-QGZVFWFLSA-N 2 2 324.900 3.128 20 0 DGADLP Clc1cncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161961 1095468686 /nfs/dbraw/zinc/46/86/86/1095468686.db2.gz UHPFPETUGNYFKJ-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161961 1095468689 /nfs/dbraw/zinc/46/86/89/1095468689.db2.gz UHPFPETUGNYFKJ-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccc(F)cc1 ZINC001339064307 1095483517 /nfs/dbraw/zinc/48/35/17/1095483517.db2.gz ZGLGDSCZJOBWBU-UHFFFAOYSA-N 2 2 324.359 3.286 20 0 DGADLP Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)[nH+]c2ccccc12 ZINC001339078308 1095490325 /nfs/dbraw/zinc/49/03/25/1095490325.db2.gz VIBWLYHOQCUIPS-MRXNPFEDSA-N 2 2 313.445 3.456 20 0 DGADLP Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)[nH+]c2ccccc12 ZINC001339078308 1095490328 /nfs/dbraw/zinc/49/03/28/1095490328.db2.gz VIBWLYHOQCUIPS-MRXNPFEDSA-N 2 2 313.445 3.456 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001222244389 1095509766 /nfs/dbraw/zinc/50/97/66/1095509766.db2.gz XLZIJRQSSUAANV-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001222244389 1095509772 /nfs/dbraw/zinc/50/97/72/1095509772.db2.gz XLZIJRQSSUAANV-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP CCc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc(CC)c1O ZINC001222247700 1095510714 /nfs/dbraw/zinc/51/07/14/1095510714.db2.gz IJYWCSFDEFLPHR-LJQANCHMSA-N 2 2 302.462 3.235 20 0 DGADLP CCc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc(CC)c1O ZINC001222247700 1095510725 /nfs/dbraw/zinc/51/07/25/1095510725.db2.gz IJYWCSFDEFLPHR-LJQANCHMSA-N 2 2 302.462 3.235 20 0 DGADLP c1cc(N2CCCCC2)oc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264709 1095519577 /nfs/dbraw/zinc/51/95/77/1095519577.db2.gz GXKHSXQPPJDERJ-IBGZPJMESA-N 2 2 317.477 3.236 20 0 DGADLP c1cc(N2CCCCC2)oc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264709 1095519589 /nfs/dbraw/zinc/51/95/89/1095519589.db2.gz GXKHSXQPPJDERJ-IBGZPJMESA-N 2 2 317.477 3.236 20 0 DGADLP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277432 1095525916 /nfs/dbraw/zinc/52/59/16/1095525916.db2.gz OAMZIGPOPYSLRP-SFHVURJKSA-N 2 2 306.425 3.108 20 0 DGADLP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277432 1095525923 /nfs/dbraw/zinc/52/59/23/1095525923.db2.gz OAMZIGPOPYSLRP-SFHVURJKSA-N 2 2 306.425 3.108 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001144135699 1095527791 /nfs/dbraw/zinc/52/77/91/1095527791.db2.gz ZOEOYGPAEQYRMX-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001339194308 1095534459 /nfs/dbraw/zinc/53/44/59/1095534459.db2.gz MCNLVXXYLRRJOK-MRXNPFEDSA-N 3 2 312.461 3.255 20 0 DGADLP CCOc1ccc(F)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1F ZINC001222315308 1095546462 /nfs/dbraw/zinc/54/64/62/1095546462.db2.gz MVNJACHHQSSGQG-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1ccc(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1F ZINC001222315308 1095546471 /nfs/dbraw/zinc/54/64/71/1095546471.db2.gz MVNJACHHQSSGQG-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152358 1095569915 /nfs/dbraw/zinc/56/99/15/1095569915.db2.gz PKIOWRGLVCZKPF-INIZCTEOSA-N 2 2 322.497 3.187 20 0 DGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152358 1095569926 /nfs/dbraw/zinc/56/99/26/1095569926.db2.gz PKIOWRGLVCZKPF-INIZCTEOSA-N 2 2 322.497 3.187 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1C ZINC001222385895 1095584021 /nfs/dbraw/zinc/58/40/21/1095584021.db2.gz ZQGRDKKFPYEDMI-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1C ZINC001222385895 1095584025 /nfs/dbraw/zinc/58/40/25/1095584025.db2.gz ZQGRDKKFPYEDMI-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP c1nc2cccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2s1 ZINC001222394749 1095590402 /nfs/dbraw/zinc/59/04/02/1095590402.db2.gz AFQFQWPKZQOMIK-QGZVFWFLSA-N 2 2 301.459 3.404 20 0 DGADLP c1nc2cccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2s1 ZINC001222394749 1095590411 /nfs/dbraw/zinc/59/04/11/1095590411.db2.gz AFQFQWPKZQOMIK-QGZVFWFLSA-N 2 2 301.459 3.404 20 0 DGADLP c1cc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc(-c2ccncc2)c1 ZINC001222427654 1095609291 /nfs/dbraw/zinc/60/92/91/1095609291.db2.gz VZLNLKBZSSYYKX-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc(-c2ccncc2)c1 ZINC001222427654 1095609297 /nfs/dbraw/zinc/60/92/97/1095609297.db2.gz VZLNLKBZSSYYKX-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116604079 1095613670 /nfs/dbraw/zinc/61/36/70/1095613670.db2.gz RSMXEQJQYRWVCB-CABCVRRESA-N 2 2 303.475 3.367 20 0 DGADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116604079 1095613675 /nfs/dbraw/zinc/61/36/75/1095613675.db2.gz RSMXEQJQYRWVCB-CABCVRRESA-N 2 2 303.475 3.367 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222465225 1095627107 /nfs/dbraw/zinc/62/71/07/1095627107.db2.gz KFJLEQWTLIAOMA-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222465225 1095627115 /nfs/dbraw/zinc/62/71/15/1095627115.db2.gz KFJLEQWTLIAOMA-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC001222548467 1095661795 /nfs/dbraw/zinc/66/17/95/1095661795.db2.gz NFLDRZDUDCYVHN-UHFFFAOYSA-N 2 2 309.187 3.395 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c(Cl)nc12 ZINC001222620035 1095695448 /nfs/dbraw/zinc/69/54/48/1095695448.db2.gz DMJWBWLXZAHGDA-GOEBONIOSA-N 2 2 315.848 3.380 20 0 DGADLP Cc1cccc2cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c(Cl)nc12 ZINC001222620035 1095695457 /nfs/dbraw/zinc/69/54/57/1095695457.db2.gz DMJWBWLXZAHGDA-GOEBONIOSA-N 2 2 315.848 3.380 20 0 DGADLP CC[N@H+](Cc1cccnc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001144531531 1095701706 /nfs/dbraw/zinc/70/17/06/1095701706.db2.gz KITKOORCJABUNA-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1cccnc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001144531531 1095701719 /nfs/dbraw/zinc/70/17/19/1095701719.db2.gz KITKOORCJABUNA-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001138086652 1095869320 /nfs/dbraw/zinc/86/93/20/1095869320.db2.gz IMCRBCLEQXSYKU-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001138086652 1095869341 /nfs/dbraw/zinc/86/93/41/1095869341.db2.gz IMCRBCLEQXSYKU-UHFFFAOYSA-N 2 2 304.331 3.371 20 0 DGADLP c1cn(C2CC[NH+](Cc3ccc(N4CCCCC4)o3)CC2)c[nH+]1 ZINC001138177307 1095914323 /nfs/dbraw/zinc/91/43/23/1095914323.db2.gz ONLBSYGSPNXGCG-UHFFFAOYSA-N 2 2 314.433 3.304 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])c2)[nH+]c1C ZINC001118219122 1095962080 /nfs/dbraw/zinc/96/20/80/1095962080.db2.gz PVFGQDBQEXAORN-HOTGVXAUSA-N 2 2 312.417 3.150 20 0 DGADLP Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCC[NH2+]C2)c1 ZINC001118494405 1096022014 /nfs/dbraw/zinc/02/20/14/1096022014.db2.gz GJDKZXJOBLVUIR-LJQANCHMSA-N 2 2 309.457 3.392 20 0 DGADLP Cc1cccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCC[NH2+]C2)c1 ZINC001118494405 1096022027 /nfs/dbraw/zinc/02/20/27/1096022027.db2.gz GJDKZXJOBLVUIR-LJQANCHMSA-N 2 2 309.457 3.392 20 0 DGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001119378276 1096182462 /nfs/dbraw/zinc/18/24/62/1096182462.db2.gz ZOTGSVYVBNNYSY-BONVTDFDSA-N 2 2 300.406 3.005 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001119630551 1096237262 /nfs/dbraw/zinc/23/72/62/1096237262.db2.gz HANBAMMJRPOGTO-HUUCEWRRSA-N 2 2 320.502 3.218 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171446712 1096836774 /nfs/dbraw/zinc/83/67/74/1096836774.db2.gz UEYZCKUDJCTTPP-MRXNPFEDSA-N 2 2 308.416 3.144 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495508 1096900684 /nfs/dbraw/zinc/90/06/84/1096900684.db2.gz JGTRZWHPVPDJFS-QGZVFWFLSA-N 2 2 320.427 3.381 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495508 1096900688 /nfs/dbraw/zinc/90/06/88/1096900688.db2.gz JGTRZWHPVPDJFS-QGZVFWFLSA-N 2 2 320.427 3.381 20 0 DGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505904 1096913896 /nfs/dbraw/zinc/91/38/96/1096913896.db2.gz OEZOSEJTSGOCSM-AAEUAGOBSA-N 2 2 312.379 3.035 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1(C)C ZINC001171628632 1096930046 /nfs/dbraw/zinc/93/00/46/1096930046.db2.gz DOLZZPPJQITSEK-HZPDHXFCSA-N 2 2 306.494 3.471 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1(C)C ZINC001171628632 1096930052 /nfs/dbraw/zinc/93/00/52/1096930052.db2.gz DOLZZPPJQITSEK-HZPDHXFCSA-N 2 2 306.494 3.471 20 0 DGADLP CC[C@@H](C)C[NH2+]CCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277216999 1096944982 /nfs/dbraw/zinc/94/49/82/1096944982.db2.gz HLEFQMIXMCVXQC-KGLIPLIRSA-N 2 2 316.449 3.097 20 0 DGADLP CC1(C)C[C@H](n2c[nH+]cc2CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171964761 1097006302 /nfs/dbraw/zinc/00/63/02/1097006302.db2.gz MXYSBVOAHWKBQL-QGZVFWFLSA-N 3 2 312.461 3.000 20 0 DGADLP CC1(C)C[C@H](n2c[nH+]cc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171964761 1097006309 /nfs/dbraw/zinc/00/63/09/1097006309.db2.gz MXYSBVOAHWKBQL-QGZVFWFLSA-N 3 2 312.461 3.000 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964196 1097006853 /nfs/dbraw/zinc/00/68/53/1097006853.db2.gz KVQUMNDXQCZAKK-KRWDZBQOSA-N 2 2 302.462 3.387 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964196 1097006855 /nfs/dbraw/zinc/00/68/55/1097006855.db2.gz KVQUMNDXQCZAKK-KRWDZBQOSA-N 2 2 302.462 3.387 20 0 DGADLP CO[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978569 1097024771 /nfs/dbraw/zinc/02/47/71/1097024771.db2.gz ZQCPOKMFRAJCDE-OKZBNKHCSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978569 1097024778 /nfs/dbraw/zinc/02/47/78/1097024778.db2.gz ZQCPOKMFRAJCDE-OKZBNKHCSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978569 1097024783 /nfs/dbraw/zinc/02/47/83/1097024783.db2.gz ZQCPOKMFRAJCDE-OKZBNKHCSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978569 1097024790 /nfs/dbraw/zinc/02/47/90/1097024790.db2.gz ZQCPOKMFRAJCDE-OKZBNKHCSA-N 2 2 320.452 3.098 20 0 DGADLP CCC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078233 1097038567 /nfs/dbraw/zinc/03/85/67/1097038567.db2.gz XTQHKGPKHJKDMF-BCDXTJNWSA-N 2 2 300.446 3.141 20 0 DGADLP CCC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078233 1097038571 /nfs/dbraw/zinc/03/85/71/1097038571.db2.gz XTQHKGPKHJKDMF-BCDXTJNWSA-N 2 2 300.446 3.141 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2ccncn2)C3)cc1 ZINC001172066082 1097044432 /nfs/dbraw/zinc/04/44/32/1097044432.db2.gz TWGBWJBSHACNLR-ACDBMABISA-N 2 2 322.456 3.152 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2ccncn2)C3)cc1 ZINC001172066082 1097044437 /nfs/dbraw/zinc/04/44/37/1097044437.db2.gz TWGBWJBSHACNLR-ACDBMABISA-N 2 2 322.456 3.152 20 0 DGADLP C[C@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069501 1097046782 /nfs/dbraw/zinc/04/67/82/1097046782.db2.gz QNYQCUIMOOWLNR-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069501 1097046788 /nfs/dbraw/zinc/04/67/88/1097046788.db2.gz QNYQCUIMOOWLNR-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069501 1097046793 /nfs/dbraw/zinc/04/67/93/1097046793.db2.gz QNYQCUIMOOWLNR-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069501 1097046799 /nfs/dbraw/zinc/04/67/99/1097046799.db2.gz QNYQCUIMOOWLNR-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C(=O)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129887 1097049377 /nfs/dbraw/zinc/04/93/77/1097049377.db2.gz DTCOBVGBWDXXNM-NXOAAHMSSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129887 1097049382 /nfs/dbraw/zinc/04/93/82/1097049382.db2.gz DTCOBVGBWDXXNM-NXOAAHMSSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC001172129887 1097049387 /nfs/dbraw/zinc/04/93/87/1097049387.db2.gz DTCOBVGBWDXXNM-NXOAAHMSSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C12CCCC2 ZINC001172129887 1097049390 /nfs/dbraw/zinc/04/93/90/1097049390.db2.gz DTCOBVGBWDXXNM-NXOAAHMSSA-N 2 2 304.478 3.225 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnn1)C2 ZINC001172113834 1097061564 /nfs/dbraw/zinc/06/15/64/1097061564.db2.gz NATJGLXKTKCQMB-DMUMMCEESA-N 2 2 322.456 3.171 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnn1)C2 ZINC001172113834 1097061570 /nfs/dbraw/zinc/06/15/70/1097061570.db2.gz NATJGLXKTKCQMB-DMUMMCEESA-N 2 2 322.456 3.171 20 0 DGADLP Cc1[nH+]cn([C@@H]2CSc3ccccc3C2)c1CSCC[NH3+] ZINC001172188447 1097068520 /nfs/dbraw/zinc/06/85/20/1097068520.db2.gz SWAXRHHQGBANQM-AWEZNQCLSA-N 2 2 319.499 3.273 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC001172244595 1097089530 /nfs/dbraw/zinc/08/95/30/1097089530.db2.gz VMPDPVDSLNFHKM-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CO1 ZINC001172281291 1097102721 /nfs/dbraw/zinc/10/27/21/1097102721.db2.gz RXTHDUOQRWZENM-ZDUSSCGKSA-N 2 2 308.853 3.157 20 0 DGADLP Cc1ccc(N([C@H](C)CCOC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172458777 1097160885 /nfs/dbraw/zinc/16/08/85/1097160885.db2.gz GBHJCTXZTJKOHQ-MRXNPFEDSA-N 2 2 305.466 3.152 20 0 DGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637537 1097200499 /nfs/dbraw/zinc/20/04/99/1097200499.db2.gz RUBYTIKJUDRJTC-CRAIPNDOSA-N 2 2 322.493 3.057 20 0 DGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637537 1097200504 /nfs/dbraw/zinc/20/05/04/1097200504.db2.gz RUBYTIKJUDRJTC-CRAIPNDOSA-N 2 2 322.493 3.057 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172724991 1097218480 /nfs/dbraw/zinc/21/84/80/1097218480.db2.gz QKHJVSITQWMHAL-GOSISDBHSA-N 2 2 304.865 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172724991 1097218484 /nfs/dbraw/zinc/21/84/84/1097218484.db2.gz QKHJVSITQWMHAL-GOSISDBHSA-N 2 2 304.865 3.366 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001172714723 1097230001 /nfs/dbraw/zinc/23/00/01/1097230001.db2.gz COZTXSYNQNYAGQ-IAGOWNOFSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001172714723 1097230004 /nfs/dbraw/zinc/23/00/04/1097230004.db2.gz COZTXSYNQNYAGQ-IAGOWNOFSA-N 2 2 304.865 3.414 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172756266 1097230636 /nfs/dbraw/zinc/23/06/36/1097230636.db2.gz MYLOYJFQUVTGNN-OAHLLOKOSA-N 2 2 315.417 3.082 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206175515 1097234772 /nfs/dbraw/zinc/23/47/72/1097234772.db2.gz VUIFFQWWYLMPNN-STQMWFEESA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206175515 1097234774 /nfs/dbraw/zinc/23/47/74/1097234774.db2.gz VUIFFQWWYLMPNN-STQMWFEESA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206185052 1097306671 /nfs/dbraw/zinc/30/66/71/1097306671.db2.gz KTTPWYSNXVQCLK-UONOGXRCSA-N 2 2 304.331 3.275 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206185052 1097306674 /nfs/dbraw/zinc/30/66/74/1097306674.db2.gz KTTPWYSNXVQCLK-UONOGXRCSA-N 2 2 304.331 3.275 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206185050 1097306974 /nfs/dbraw/zinc/30/69/74/1097306974.db2.gz KTTPWYSNXVQCLK-KBPBESRZSA-N 2 2 304.331 3.275 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206185050 1097306975 /nfs/dbraw/zinc/30/69/75/1097306975.db2.gz KTTPWYSNXVQCLK-KBPBESRZSA-N 2 2 304.331 3.275 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173082303 1097326460 /nfs/dbraw/zinc/32/64/60/1097326460.db2.gz LKARCBMVXHTDMY-OCCSQVGLSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173082303 1097326464 /nfs/dbraw/zinc/32/64/64/1097326464.db2.gz LKARCBMVXHTDMY-OCCSQVGLSA-N 2 2 316.367 3.200 20 0 DGADLP C[NH+]1CCN(c2cccc(Nc3[nH+]cccc3C3CC3)c2)CC1 ZINC001212713029 1097355954 /nfs/dbraw/zinc/35/59/54/1097355954.db2.gz QZHXAWBVPGUIOR-UHFFFAOYSA-N 2 2 308.429 3.454 20 0 DGADLP CC[C@@]1(c2cccc(OC3C[NH+](C)C3)c2)CCCC[N@H+](C)C1 ZINC001229646657 1097358623 /nfs/dbraw/zinc/35/86/23/1097358623.db2.gz CJAJPKDPLPDGAT-LJQANCHMSA-N 2 2 302.462 3.143 20 0 DGADLP CC[C@@]1(c2cccc(OC3C[NH+](C)C3)c2)CCCC[N@@H+](C)C1 ZINC001229646657 1097358627 /nfs/dbraw/zinc/35/86/27/1097358627.db2.gz CJAJPKDPLPDGAT-LJQANCHMSA-N 2 2 302.462 3.143 20 0 DGADLP CCSC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001173290530 1097416236 /nfs/dbraw/zinc/41/62/36/1097416236.db2.gz GVRFZWYARNPQNP-ZWNOBZJWSA-N 2 2 317.296 3.180 20 0 DGADLP c1cn(-c2ccc(OC3CCN(c4cc[nH+]cc4)CC3)cc2)c[nH+]1 ZINC001229954288 1097416694 /nfs/dbraw/zinc/41/66/94/1097416694.db2.gz MJRJKZGYMXKTNL-UHFFFAOYSA-N 2 2 320.396 3.315 20 0 DGADLP COC(=O)CCCC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001173449437 1097450442 /nfs/dbraw/zinc/45/04/42/1097450442.db2.gz UIFBQZNAEDJRFR-AWEZNQCLSA-N 2 2 315.417 3.303 20 0 DGADLP c1ccc(Nc2cc[nH+]c3ccccc23)c(C[NH+]2CCOCC2)c1 ZINC001174038505 1097597362 /nfs/dbraw/zinc/59/73/62/1097597362.db2.gz OKCGXJAJNXUJMU-UHFFFAOYSA-N 2 2 319.408 3.233 20 0 DGADLP Oc1cc2c(cc1O[C@H]1CC[N@H+](Cc3ccccc3)C1)CC[NH+]=C2 ZINC001230916033 1097622753 /nfs/dbraw/zinc/62/27/53/1097622753.db2.gz VNOLECJBSURHMG-SFHVURJKSA-N 2 2 322.408 3.021 20 0 DGADLP Oc1cc2c(cc1O[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC[NH+]=C2 ZINC001230916033 1097622755 /nfs/dbraw/zinc/62/27/55/1097622755.db2.gz VNOLECJBSURHMG-SFHVURJKSA-N 2 2 322.408 3.021 20 0 DGADLP COc1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001231605257 1097790671 /nfs/dbraw/zinc/79/06/71/1097790671.db2.gz MEESWSHDTZYTOO-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(F)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001231605257 1097790676 /nfs/dbraw/zinc/79/06/76/1097790676.db2.gz MEESWSHDTZYTOO-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3c2OCCO3)CC1 ZINC001231888020 1097880836 /nfs/dbraw/zinc/88/08/36/1097880836.db2.gz MYZCEKYSVNLGNF-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2OCCO3)CC1 ZINC001231888020 1097880842 /nfs/dbraw/zinc/88/08/42/1097880842.db2.gz MYZCEKYSVNLGNF-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP CC[N@H+](Cc1ncccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001231962641 1097902412 /nfs/dbraw/zinc/90/24/12/1097902412.db2.gz HSTAFKDPYUNQSK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1ncccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001231962641 1097902416 /nfs/dbraw/zinc/90/24/16/1097902416.db2.gz HSTAFKDPYUNQSK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012932 1097916237 /nfs/dbraw/zinc/91/62/37/1097916237.db2.gz ANFRBWFDKQRRPQ-UHFFFAOYSA-N 3 2 321.428 3.005 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016548 1097917606 /nfs/dbraw/zinc/91/76/06/1097917606.db2.gz YUUUABDKXZFLLH-ROUUACIJSA-N 3 2 312.461 3.402 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016548 1097917613 /nfs/dbraw/zinc/91/76/13/1097917613.db2.gz YUUUABDKXZFLLH-ROUUACIJSA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016548 1097917618 /nfs/dbraw/zinc/91/76/18/1097917618.db2.gz YUUUABDKXZFLLH-ROUUACIJSA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232016548 1097917624 /nfs/dbraw/zinc/91/76/24/1097917624.db2.gz YUUUABDKXZFLLH-ROUUACIJSA-N 3 2 312.461 3.402 20 0 DGADLP COc1cc2c(cc1OC)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232014214 1097918491 /nfs/dbraw/zinc/91/84/91/1097918491.db2.gz KZYMFBZJYZHXSS-UHFFFAOYSA-N 2 2 323.396 3.138 20 0 DGADLP COc1cc2c(cc1OC)C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232014214 1097918498 /nfs/dbraw/zinc/91/84/98/1097918498.db2.gz KZYMFBZJYZHXSS-UHFFFAOYSA-N 2 2 323.396 3.138 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3cccc(OC)c23)CC1 ZINC001232039946 1097923556 /nfs/dbraw/zinc/92/35/56/1097923556.db2.gz OEQWQFWCLWUAML-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3cccc(OC)c23)CC1 ZINC001232039946 1097923558 /nfs/dbraw/zinc/92/35/58/1097923558.db2.gz OEQWQFWCLWUAML-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001232144965 1097949968 /nfs/dbraw/zinc/94/99/68/1097949968.db2.gz PZWNMMZVRDCGHN-HZPDHXFCSA-N 2 2 300.368 3.159 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001232144965 1097949972 /nfs/dbraw/zinc/94/99/72/1097949972.db2.gz PZWNMMZVRDCGHN-HZPDHXFCSA-N 2 2 300.368 3.159 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001232144964 1097950498 /nfs/dbraw/zinc/95/04/98/1097950498.db2.gz PZWNMMZVRDCGHN-HOTGVXAUSA-N 2 2 300.368 3.159 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001232144964 1097950505 /nfs/dbraw/zinc/95/05/05/1097950505.db2.gz PZWNMMZVRDCGHN-HOTGVXAUSA-N 2 2 300.368 3.159 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC001277625604 1097959588 /nfs/dbraw/zinc/95/95/88/1097959588.db2.gz ZAVIIKJSJGHHCU-RLLQIKCJSA-N 2 2 321.553 3.446 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC001277625604 1097959590 /nfs/dbraw/zinc/95/95/90/1097959590.db2.gz ZAVIIKJSJGHHCU-RLLQIKCJSA-N 2 2 321.553 3.446 20 0 DGADLP CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC001277625604 1097959594 /nfs/dbraw/zinc/95/95/94/1097959594.db2.gz ZAVIIKJSJGHHCU-RLLQIKCJSA-N 2 2 321.553 3.446 20 0 DGADLP CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC001277625604 1097959598 /nfs/dbraw/zinc/95/95/98/1097959598.db2.gz ZAVIIKJSJGHHCU-RLLQIKCJSA-N 2 2 321.553 3.446 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnc(C(F)(F)F)c1 ZINC001232242963 1097980695 /nfs/dbraw/zinc/98/06/95/1097980695.db2.gz IRIOWHJBPCOILG-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc(C(F)(F)F)c1 ZINC001232242963 1097980700 /nfs/dbraw/zinc/98/07/00/1097980700.db2.gz IRIOWHJBPCOILG-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001175351324 1098020597 /nfs/dbraw/zinc/02/05/97/1098020597.db2.gz KWKBHMLRXNZCBO-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001175351324 1098020605 /nfs/dbraw/zinc/02/06/05/1098020605.db2.gz KWKBHMLRXNZCBO-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351391 1098020771 /nfs/dbraw/zinc/02/07/71/1098020771.db2.gz LMCFINTUVSDSII-ROUUACIJSA-N 2 2 316.493 3.432 20 0 DGADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351391 1098020773 /nfs/dbraw/zinc/02/07/73/1098020773.db2.gz LMCFINTUVSDSII-ROUUACIJSA-N 2 2 316.493 3.432 20 0 DGADLP FCc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001232536859 1098072224 /nfs/dbraw/zinc/07/22/24/1098072224.db2.gz RKURUQVVTBKMQQ-SFHVURJKSA-N 2 2 305.441 3.392 20 0 DGADLP FCc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001232536859 1098072229 /nfs/dbraw/zinc/07/22/29/1098072229.db2.gz RKURUQVVTBKMQQ-SFHVURJKSA-N 2 2 305.441 3.392 20 0 DGADLP COCC[N@H+](Cc1cccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC001232637008 1098103871 /nfs/dbraw/zinc/10/38/71/1098103871.db2.gz LWTPNNMOKTWUJA-UHFFFAOYSA-N 2 2 316.489 3.108 20 0 DGADLP COCC[N@@H+](Cc1cccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC001232637008 1098103876 /nfs/dbraw/zinc/10/38/76/1098103876.db2.gz LWTPNNMOKTWUJA-UHFFFAOYSA-N 2 2 316.489 3.108 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C[C@H]2C1 ZINC001232734770 1098122672 /nfs/dbraw/zinc/12/26/72/1098122672.db2.gz YMKUUARZLXFHTF-ZIAGYGMSSA-N 2 2 303.837 3.205 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277707912 1098124511 /nfs/dbraw/zinc/12/45/11/1098124511.db2.gz IJDSIFUWSRYAQK-IBGZPJMESA-N 2 2 310.445 3.211 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277707912 1098124515 /nfs/dbraw/zinc/12/45/15/1098124515.db2.gz IJDSIFUWSRYAQK-IBGZPJMESA-N 2 2 310.445 3.211 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277707913 1098124579 /nfs/dbraw/zinc/12/45/79/1098124579.db2.gz IJDSIFUWSRYAQK-LJQANCHMSA-N 2 2 310.445 3.211 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277707913 1098124583 /nfs/dbraw/zinc/12/45/83/1098124583.db2.gz IJDSIFUWSRYAQK-LJQANCHMSA-N 2 2 310.445 3.211 20 0 DGADLP Fc1cccc(-c2ccc(C[N@H+]3CCc4[nH+]ccn4CC3)cn2)c1 ZINC001232889509 1098164864 /nfs/dbraw/zinc/16/48/64/1098164864.db2.gz GTJXMIAASISCOG-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP Fc1cccc(-c2ccc(C[N@@H+]3CCc4[nH+]ccn4CC3)cn2)c1 ZINC001232889509 1098164868 /nfs/dbraw/zinc/16/48/68/1098164868.db2.gz GTJXMIAASISCOG-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982610 1098218154 /nfs/dbraw/zinc/21/81/54/1098218154.db2.gz ILIKCXXVIFFRDI-FUHWJXTLSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982610 1098218156 /nfs/dbraw/zinc/21/81/56/1098218156.db2.gz ILIKCXXVIFFRDI-FUHWJXTLSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@@H](C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982610 1098218162 /nfs/dbraw/zinc/21/81/62/1098218162.db2.gz ILIKCXXVIFFRDI-FUHWJXTLSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982610 1098218169 /nfs/dbraw/zinc/21/81/69/1098218169.db2.gz ILIKCXXVIFFRDI-FUHWJXTLSA-N 2 2 306.494 3.093 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000066543429 1098234066 /nfs/dbraw/zinc/23/40/66/1098234066.db2.gz SGJHTLVMFWPQTH-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1cn2cccc(Nc3ccc(OCC[NH+](C)C)cc3)c2[nH+]1 ZINC001176224507 1098288089 /nfs/dbraw/zinc/28/80/89/1098288089.db2.gz WHONRMGHCZPWNS-UHFFFAOYSA-N 2 2 310.401 3.327 20 0 DGADLP CCN(C)c1ccc(Nc2ccc(OCC[NH+](C)C)cc2)c[nH+]1 ZINC001176229715 1098289688 /nfs/dbraw/zinc/28/96/88/1098289688.db2.gz QBBHLIPMFYXNRT-UHFFFAOYSA-N 2 2 314.433 3.222 20 0 DGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176351162 1098328922 /nfs/dbraw/zinc/32/89/22/1098328922.db2.gz QGCCGFNUXLHWNW-HNNXBMFYSA-N 2 2 322.497 3.106 20 0 DGADLP CCc1[nH+]ccc(C)c1Nc1ccc(OCCC[NH+](C)C)nc1 ZINC001176354586 1098329933 /nfs/dbraw/zinc/32/99/33/1098329933.db2.gz JCSIMZJOXMLDQZ-UHFFFAOYSA-N 2 2 314.433 3.422 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001206277623 1098399564 /nfs/dbraw/zinc/39/95/64/1098399564.db2.gz VTCSOMHFEFGFMJ-AWEZNQCLSA-N 2 2 303.837 3.172 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001206277623 1098399570 /nfs/dbraw/zinc/39/95/70/1098399570.db2.gz VTCSOMHFEFGFMJ-AWEZNQCLSA-N 2 2 303.837 3.172 20 0 DGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810257 1098439229 /nfs/dbraw/zinc/43/92/29/1098439229.db2.gz ITNMLLDKRVHUDR-QGZVFWFLSA-N 2 2 322.497 3.118 20 0 DGADLP CC(C)c1ccccc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001177161627 1098486769 /nfs/dbraw/zinc/48/67/69/1098486769.db2.gz CVGLFOVMECQNFN-CALCHBBNSA-N 2 2 304.478 3.399 20 0 DGADLP CC(C)c1ccccc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001177161627 1098486772 /nfs/dbraw/zinc/48/67/72/1098486772.db2.gz CVGLFOVMECQNFN-CALCHBBNSA-N 2 2 304.478 3.399 20 0 DGADLP C[C@H](C[NH2+]Cc1nc2c(s1)CCCC2)C[NH+]1CCCCC1 ZINC001177416928 1098532273 /nfs/dbraw/zinc/53/22/73/1098532273.db2.gz ZPVNIHWDEPTVRE-CQSZACIVSA-N 2 2 307.507 3.234 20 0 DGADLP CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235020102 1098755421 /nfs/dbraw/zinc/75/54/21/1098755421.db2.gz PAEOFDFMVZGXAR-UHFFFAOYSA-N 2 2 308.223 3.477 20 0 DGADLP CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235020102 1098755428 /nfs/dbraw/zinc/75/54/28/1098755428.db2.gz PAEOFDFMVZGXAR-UHFFFAOYSA-N 2 2 308.223 3.477 20 0 DGADLP C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)C1CC[NH+](C)CC1 ZINC001235035298 1098763321 /nfs/dbraw/zinc/76/33/21/1098763321.db2.gz KKUBHTWHOGFIKY-UHFFFAOYSA-N 2 2 301.409 3.347 20 0 DGADLP C[N@@H+](Cc1c[nH]c(-c2ccccc2F)c1)C1CC[NH+](C)CC1 ZINC001235035298 1098763327 /nfs/dbraw/zinc/76/33/27/1098763327.db2.gz KKUBHTWHOGFIKY-UHFFFAOYSA-N 2 2 301.409 3.347 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)cn1 ZINC001235039633 1098767440 /nfs/dbraw/zinc/76/74/40/1098767440.db2.gz WVBHFXYAZZGJMM-GOSISDBHSA-N 2 2 321.440 3.116 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)cn1 ZINC001235039633 1098767451 /nfs/dbraw/zinc/76/74/51/1098767451.db2.gz WVBHFXYAZZGJMM-GOSISDBHSA-N 2 2 321.440 3.116 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(OC)c1C ZINC001235040702 1098769341 /nfs/dbraw/zinc/76/93/41/1098769341.db2.gz NAKPGSLZVWUFIJ-LJQANCHMSA-N 2 2 318.461 3.120 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(OC)c1C ZINC001235040702 1098769350 /nfs/dbraw/zinc/76/93/50/1098769350.db2.gz NAKPGSLZVWUFIJ-LJQANCHMSA-N 2 2 318.461 3.120 20 0 DGADLP Fc1ccccc1-c1cc(C[NH+]2CCC([NH+]3CCC3)CC2)c[nH]1 ZINC001235046284 1098774476 /nfs/dbraw/zinc/77/44/76/1098774476.db2.gz HLQOFPQUHGACAB-UHFFFAOYSA-N 2 2 313.420 3.491 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919891 1098778967 /nfs/dbraw/zinc/77/89/67/1098778967.db2.gz QILYLHFTFCKMHK-LJQANCHMSA-N 2 2 318.436 3.206 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919891 1098778975 /nfs/dbraw/zinc/77/89/75/1098778975.db2.gz QILYLHFTFCKMHK-LJQANCHMSA-N 2 2 318.436 3.206 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919891 1098778986 /nfs/dbraw/zinc/77/89/86/1098778986.db2.gz QILYLHFTFCKMHK-LJQANCHMSA-N 2 2 318.436 3.206 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919891 1098778993 /nfs/dbraw/zinc/77/89/93/1098778993.db2.gz QILYLHFTFCKMHK-LJQANCHMSA-N 2 2 318.436 3.206 20 0 DGADLP Cc1cc(CNc2c[nH+]ccc2-n2cccn2)c2c([nH+]1)CCCC2 ZINC001178310702 1098791091 /nfs/dbraw/zinc/79/10/91/1098791091.db2.gz DCVNAQSNTPLPCN-UHFFFAOYSA-N 2 2 319.412 3.462 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115291 1098816168 /nfs/dbraw/zinc/81/61/68/1098816168.db2.gz PYMPNALIAHJJFU-UWJYYQICSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115291 1098816183 /nfs/dbraw/zinc/81/61/83/1098816183.db2.gz PYMPNALIAHJJFU-UWJYYQICSA-N 2 2 324.468 3.398 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235116725 1098817377 /nfs/dbraw/zinc/81/73/77/1098817377.db2.gz YQYIWQMASZMPIS-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235116725 1098817393 /nfs/dbraw/zinc/81/73/93/1098817393.db2.gz YQYIWQMASZMPIS-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP COc1c(C)cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235167292 1098848673 /nfs/dbraw/zinc/84/86/73/1098848673.db2.gz HKZNDUCSNZPFKN-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1c(C)cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235167292 1098848681 /nfs/dbraw/zinc/84/86/81/1098848681.db2.gz HKZNDUCSNZPFKN-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235169104 1098850434 /nfs/dbraw/zinc/85/04/34/1098850434.db2.gz VTPMKDUJCPAQAB-HXUWFJFHSA-N 2 2 313.489 3.395 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235169104 1098850446 /nfs/dbraw/zinc/85/04/46/1098850446.db2.gz VTPMKDUJCPAQAB-HXUWFJFHSA-N 2 2 313.489 3.395 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235173697 1098854031 /nfs/dbraw/zinc/85/40/31/1098854031.db2.gz QOFHUJUTUBTZAC-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235173697 1098854043 /nfs/dbraw/zinc/85/40/43/1098854043.db2.gz QOFHUJUTUBTZAC-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP Fc1ccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235174510 1098854605 /nfs/dbraw/zinc/85/46/05/1098854605.db2.gz TWPPDMFODOIHJL-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1ccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235174510 1098854624 /nfs/dbraw/zinc/85/46/24/1098854624.db2.gz TWPPDMFODOIHJL-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1C ZINC001235175495 1098856437 /nfs/dbraw/zinc/85/64/37/1098856437.db2.gz WQEDRIRXLGAFNM-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1C ZINC001235175495 1098856448 /nfs/dbraw/zinc/85/64/48/1098856448.db2.gz WQEDRIRXLGAFNM-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP CCN1CCc2ccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)cc21 ZINC001235179341 1098861510 /nfs/dbraw/zinc/86/15/10/1098861510.db2.gz ZHXKQRXFNGEDND-FQEVSTJZSA-N 2 2 313.489 3.177 20 0 DGADLP CCN1CCc2ccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cc21 ZINC001235179341 1098861517 /nfs/dbraw/zinc/86/15/17/1098861517.db2.gz ZHXKQRXFNGEDND-FQEVSTJZSA-N 2 2 313.489 3.177 20 0 DGADLP Oc1cc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235243706 1098916290 /nfs/dbraw/zinc/91/62/90/1098916290.db2.gz XLZUHLNLVJUCFQ-QGZVFWFLSA-N 2 2 310.388 3.025 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)[nH]1 ZINC001235248841 1098923275 /nfs/dbraw/zinc/92/32/75/1098923275.db2.gz DRLXEUIBXGWTQA-UYAOXDASSA-N 2 2 309.457 3.353 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)[nH]1 ZINC001235248841 1098923283 /nfs/dbraw/zinc/92/32/83/1098923283.db2.gz DRLXEUIBXGWTQA-UYAOXDASSA-N 2 2 309.457 3.353 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235260132 1098931299 /nfs/dbraw/zinc/93/12/99/1098931299.db2.gz NMKDPIUXRJIXFI-PZJWPPBQSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235260132 1098931303 /nfs/dbraw/zinc/93/13/03/1098931303.db2.gz NMKDPIUXRJIXFI-PZJWPPBQSA-N 2 2 322.452 3.368 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399358 1098995572 /nfs/dbraw/zinc/99/55/72/1098995572.db2.gz ANEUAKGUTRZAFP-DOTOQJQBSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399358 1098995576 /nfs/dbraw/zinc/99/55/76/1098995576.db2.gz ANEUAKGUTRZAFP-DOTOQJQBSA-N 2 2 321.827 3.345 20 0 DGADLP Cc1csc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235403640 1099002974 /nfs/dbraw/zinc/00/29/74/1099002974.db2.gz LPANSMQDFKZNFV-TZMCWYRMSA-N 2 2 302.846 3.233 20 0 DGADLP Cc1csc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235403640 1099002987 /nfs/dbraw/zinc/00/29/87/1099002987.db2.gz LPANSMQDFKZNFV-TZMCWYRMSA-N 2 2 302.846 3.233 20 0 DGADLP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(F)c(F)cc(F)c1F ZINC001235716919 1099143404 /nfs/dbraw/zinc/14/34/04/1099143404.db2.gz MVCPILOJOYBXKC-UHFFFAOYSA-N 2 2 304.331 3.065 20 0 DGADLP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(F)c(F)cc(F)c1F ZINC001235716919 1099143410 /nfs/dbraw/zinc/14/34/10/1099143410.db2.gz MVCPILOJOYBXKC-UHFFFAOYSA-N 2 2 304.331 3.065 20 0 DGADLP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(O)c(Cl)c(F)c1F ZINC001235719584 1099145719 /nfs/dbraw/zinc/14/57/19/1099145719.db2.gz XSGQFTKROQTSPP-UHFFFAOYSA-N 2 2 318.795 3.145 20 0 DGADLP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(O)c(Cl)c(F)c1F ZINC001235719584 1099145726 /nfs/dbraw/zinc/14/57/26/1099145726.db2.gz XSGQFTKROQTSPP-UHFFFAOYSA-N 2 2 318.795 3.145 20 0 DGADLP CCCCc1[nH]c(CN2CC[NH2+]C[C@H]2c2ccccc2F)c[nH+]1 ZINC001235736941 1099154981 /nfs/dbraw/zinc/15/49/81/1099154981.db2.gz QVTGJOWHCZARKZ-KRWDZBQOSA-N 2 2 316.424 3.038 20 0 DGADLP CCCCc1[nH]cc(CN2CC[NH2+]C[C@H]2c2ccccc2F)[nH+]1 ZINC001235736941 1099154989 /nfs/dbraw/zinc/15/49/89/1099154989.db2.gz QVTGJOWHCZARKZ-KRWDZBQOSA-N 2 2 316.424 3.038 20 0 DGADLP Cc1cc(Br)cc(C)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001235783143 1099174770 /nfs/dbraw/zinc/17/47/70/1099174770.db2.gz AHQXVCVOQHLDII-OKILXGFUSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1cc(Br)cc(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001235783143 1099174772 /nfs/dbraw/zinc/17/47/72/1099174772.db2.gz AHQXVCVOQHLDII-OKILXGFUSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001235783143 1099174779 /nfs/dbraw/zinc/17/47/79/1099174779.db2.gz AHQXVCVOQHLDII-OKILXGFUSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001235783143 1099174783 /nfs/dbraw/zinc/17/47/83/1099174783.db2.gz AHQXVCVOQHLDII-OKILXGFUSA-N 2 2 323.278 3.059 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2c1cccc2C)[C@@H]1CCC[NH2+]C1 ZINC001235805352 1099187622 /nfs/dbraw/zinc/18/76/22/1099187622.db2.gz DUPJVGDZJSKERP-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2c1cccc2C)[C@@H]1CCC[NH2+]C1 ZINC001235805352 1099187624 /nfs/dbraw/zinc/18/76/24/1099187624.db2.gz DUPJVGDZJSKERP-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@H+](Cc1cccc(OC(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001235808434 1099188690 /nfs/dbraw/zinc/18/86/90/1099188690.db2.gz SQRSYAGMDOPNQU-SFHVURJKSA-N 2 2 320.477 3.064 20 0 DGADLP COCCC[N@@H+](Cc1cccc(OC(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001235808434 1099188694 /nfs/dbraw/zinc/18/86/94/1099188694.db2.gz SQRSYAGMDOPNQU-SFHVURJKSA-N 2 2 320.477 3.064 20 0 DGADLP Fc1ccc([C@@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235865844 1099227916 /nfs/dbraw/zinc/22/79/16/1099227916.db2.gz SJKVAUGAGQIBST-SJORKVTESA-N 2 2 308.466 3.448 20 0 DGADLP Fc1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235865844 1099227921 /nfs/dbraw/zinc/22/79/21/1099227921.db2.gz SJKVAUGAGQIBST-SJORKVTESA-N 2 2 308.466 3.448 20 0 DGADLP Brc1ccc([C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881423 1099232364 /nfs/dbraw/zinc/23/23/64/1099232364.db2.gz FQACOAXDNHMCHC-GDBMZVCRSA-N 2 2 323.278 3.381 20 0 DGADLP Brc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881423 1099232371 /nfs/dbraw/zinc/23/23/71/1099232371.db2.gz FQACOAXDNHMCHC-GDBMZVCRSA-N 2 2 323.278 3.381 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001235947795 1099281177 /nfs/dbraw/zinc/28/11/77/1099281177.db2.gz LAGMGSWIORLILR-UHFFFAOYSA-N 2 2 300.402 3.354 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001235947795 1099281181 /nfs/dbraw/zinc/28/11/81/1099281181.db2.gz LAGMGSWIORLILR-UHFFFAOYSA-N 2 2 300.402 3.354 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235951838 1099285501 /nfs/dbraw/zinc/28/55/01/1099285501.db2.gz ULMLOBIZKZXUHG-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235951838 1099285511 /nfs/dbraw/zinc/28/55/11/1099285511.db2.gz ULMLOBIZKZXUHG-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998263 1099319580 /nfs/dbraw/zinc/31/95/80/1099319580.db2.gz XSIHKYVIHMNFIG-QUCCMNQESA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998263 1099319593 /nfs/dbraw/zinc/31/95/93/1099319593.db2.gz XSIHKYVIHMNFIG-QUCCMNQESA-N 2 2 308.425 3.189 20 0 DGADLP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001236022950 1099339630 /nfs/dbraw/zinc/33/96/30/1099339630.db2.gz BBFYKNSGFLHAHC-FOIQADDNSA-N 2 2 305.425 3.347 20 0 DGADLP CCn1c2ccccc2c2cc(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001236022950 1099339642 /nfs/dbraw/zinc/33/96/42/1099339642.db2.gz BBFYKNSGFLHAHC-FOIQADDNSA-N 2 2 305.425 3.347 20 0 DGADLP COC1(c2ccccc2)CC[NH+](C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001236042503 1099346054 /nfs/dbraw/zinc/34/60/54/1099346054.db2.gz OLYVSTZGXQQXMN-HXUWFJFHSA-N 2 2 324.468 3.194 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C[C@@H]1[NH3+] ZINC001236093940 1099382894 /nfs/dbraw/zinc/38/28/94/1099382894.db2.gz QBHFGHQYUGXKAD-WBMJQRKESA-N 2 2 301.821 3.181 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C[C@@H]1[NH3+] ZINC001236093940 1099382909 /nfs/dbraw/zinc/38/29/09/1099382909.db2.gz QBHFGHQYUGXKAD-WBMJQRKESA-N 2 2 301.821 3.181 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095284 1099384431 /nfs/dbraw/zinc/38/44/31/1099384431.db2.gz PUJLNCLCERQPBC-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095284 1099384444 /nfs/dbraw/zinc/38/44/44/1099384444.db2.gz PUJLNCLCERQPBC-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP C[NH2+]CCC[NH+]1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001236180819 1099450663 /nfs/dbraw/zinc/45/06/63/1099450663.db2.gz AIFKGFAWIYFBST-UHFFFAOYSA-N 2 2 309.457 3.085 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214036 1099470349 /nfs/dbraw/zinc/47/03/49/1099470349.db2.gz DHHPBLSTAFLDKG-CHWSQXEVSA-N 2 2 302.340 3.129 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214036 1099470352 /nfs/dbraw/zinc/47/03/52/1099470352.db2.gz DHHPBLSTAFLDKG-CHWSQXEVSA-N 2 2 302.340 3.129 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1OCC1CC1 ZINC001236218818 1099476026 /nfs/dbraw/zinc/47/60/26/1099476026.db2.gz UDJOERJYYVBLJI-DLBZAZTESA-N 2 2 318.461 3.186 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1OCC1CC1 ZINC001236218818 1099476032 /nfs/dbraw/zinc/47/60/32/1099476032.db2.gz UDJOERJYYVBLJI-DLBZAZTESA-N 2 2 318.461 3.186 20 0 DGADLP COC1(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCCC1 ZINC001180787003 1099502401 /nfs/dbraw/zinc/50/24/01/1099502401.db2.gz LEFRNCHNKSINSZ-QGZVFWFLSA-N 2 2 319.493 3.414 20 0 DGADLP COC1(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCCC1 ZINC001180787003 1099502416 /nfs/dbraw/zinc/50/24/16/1099502416.db2.gz LEFRNCHNKSINSZ-QGZVFWFLSA-N 2 2 319.493 3.414 20 0 DGADLP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001236316796 1099529704 /nfs/dbraw/zinc/52/97/04/1099529704.db2.gz PEMDCQGOJXCALM-MRXNPFEDSA-N 2 2 306.413 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001236316796 1099529718 /nfs/dbraw/zinc/52/97/18/1099529718.db2.gz PEMDCQGOJXCALM-MRXNPFEDSA-N 2 2 306.413 3.449 20 0 DGADLP COCC[N@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236331270 1099542015 /nfs/dbraw/zinc/54/20/15/1099542015.db2.gz BAMCZKNODCJXML-XLIONFOSSA-N 2 2 318.505 3.299 20 0 DGADLP COCC[N@@H+](C[C@H](C)Cc1ccc(C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236331270 1099542026 /nfs/dbraw/zinc/54/20/26/1099542026.db2.gz BAMCZKNODCJXML-XLIONFOSSA-N 2 2 318.505 3.299 20 0 DGADLP CC[N@@H+](Cc1ccc(C)cc1Br)C[C@H]1CC[NH2+]C1 ZINC001236410382 1099583504 /nfs/dbraw/zinc/58/35/04/1099583504.db2.gz ZLWGJBWJWYPAHH-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1ccc(C)cc1Br)C[C@H]1CC[NH2+]C1 ZINC001236410382 1099583512 /nfs/dbraw/zinc/58/35/12/1099583512.db2.gz ZLWGJBWJWYPAHH-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236410355 1099583989 /nfs/dbraw/zinc/58/39/89/1099583989.db2.gz ZDZLZPHOZGJNCV-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236410355 1099583998 /nfs/dbraw/zinc/58/39/98/1099583998.db2.gz ZDZLZPHOZGJNCV-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP CCOCC[N@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001236459874 1099622593 /nfs/dbraw/zinc/62/25/93/1099622593.db2.gz GPKWZWHPTTVUQK-UHFFFAOYSA-N 2 2 310.869 3.239 20 0 DGADLP CCOCC[N@@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001236459874 1099622602 /nfs/dbraw/zinc/62/26/02/1099622602.db2.gz GPKWZWHPTTVUQK-UHFFFAOYSA-N 2 2 310.869 3.239 20 0 DGADLP CCOc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC001236468055 1099627929 /nfs/dbraw/zinc/62/79/29/1099627929.db2.gz FBBGGPFFGZGUAN-MRXNPFEDSA-N 2 2 306.450 3.056 20 0 DGADLP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC001236468055 1099627934 /nfs/dbraw/zinc/62/79/34/1099627934.db2.gz FBBGGPFFGZGUAN-MRXNPFEDSA-N 2 2 306.450 3.056 20 0 DGADLP CC(C)C[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236476469 1099635230 /nfs/dbraw/zinc/63/52/30/1099635230.db2.gz YESRITNBYUDSIF-LJQANCHMSA-N 3 2 321.484 3.097 20 0 DGADLP CC(C)C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236476469 1099635240 /nfs/dbraw/zinc/63/52/40/1099635240.db2.gz YESRITNBYUDSIF-LJQANCHMSA-N 3 2 321.484 3.097 20 0 DGADLP CC(C)C[N@H+](Cc1c[nH]nc1-c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC001236477918 1099637100 /nfs/dbraw/zinc/63/71/00/1099637100.db2.gz UQMOQUYJYZOGKV-OAHLLOKOSA-N 2 2 318.490 3.348 20 0 DGADLP CC(C)C[N@@H+](Cc1c[nH]nc1-c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC001236477918 1099637106 /nfs/dbraw/zinc/63/71/06/1099637106.db2.gz UQMOQUYJYZOGKV-OAHLLOKOSA-N 2 2 318.490 3.348 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c2c[nH]nc21 ZINC001236503546 1099650025 /nfs/dbraw/zinc/65/00/25/1099650025.db2.gz SBURMPSSFHXDCK-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c2c[nH]nc21 ZINC001236503546 1099650027 /nfs/dbraw/zinc/65/00/27/1099650027.db2.gz SBURMPSSFHXDCK-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCC(C)C ZINC000075784344 1099652993 /nfs/dbraw/zinc/65/29/93/1099652993.db2.gz GAFAOBAIDKPNEL-HNNXBMFYSA-N 2 2 317.433 3.105 20 0 DGADLP CC(C)N(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC001236527168 1099662042 /nfs/dbraw/zinc/66/20/42/1099662042.db2.gz HZNMGZFNLZVGKN-MRXNPFEDSA-N 2 2 318.852 3.098 20 0 DGADLP CC(C)[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236527140 1099662274 /nfs/dbraw/zinc/66/22/74/1099662274.db2.gz HQLRVIXVQJWCGU-HNNXBMFYSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236527140 1099662276 /nfs/dbraw/zinc/66/22/76/1099662276.db2.gz HQLRVIXVQJWCGU-HNNXBMFYSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236528232 1099663633 /nfs/dbraw/zinc/66/36/33/1099663633.db2.gz JRWCNWYWFSVJDY-AWEZNQCLSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236528232 1099663636 /nfs/dbraw/zinc/66/36/36/1099663636.db2.gz JRWCNWYWFSVJDY-AWEZNQCLSA-N 2 2 303.837 3.461 20 0 DGADLP Fc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c2c(c1)CCCO2 ZINC001236600026 1099695954 /nfs/dbraw/zinc/69/59/54/1099695954.db2.gz FQHWWHOJZHFAHG-AWEZNQCLSA-N 2 2 318.436 3.115 20 0 DGADLP Fc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c2c(c1)CCCO2 ZINC001236600026 1099695957 /nfs/dbraw/zinc/69/59/57/1099695957.db2.gz FQHWWHOJZHFAHG-AWEZNQCLSA-N 2 2 318.436 3.115 20 0 DGADLP COc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001236637706 1099717843 /nfs/dbraw/zinc/71/78/43/1099717843.db2.gz TVIBWZGGLGWHAV-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC001236637706 1099717851 /nfs/dbraw/zinc/71/78/51/1099717851.db2.gz TVIBWZGGLGWHAV-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)c(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843026 1099828959 /nfs/dbraw/zinc/82/89/59/1099828959.db2.gz KHWQKXWQWQENSC-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)c(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236843026 1099828973 /nfs/dbraw/zinc/82/89/73/1099828973.db2.gz KHWQKXWQWQENSC-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@@H+](Cc1c(F)cccc1OC(F)F)C[C@H]1CC[NH2+]C1 ZINC001236836480 1099823804 /nfs/dbraw/zinc/82/38/04/1099823804.db2.gz VXZQBIPDHYLKHV-LBPRGKRZSA-N 2 2 316.367 3.249 20 0 DGADLP CCC[N@H+](Cc1c(F)cccc1OC(F)F)C[C@H]1CC[NH2+]C1 ZINC001236836480 1099823818 /nfs/dbraw/zinc/82/38/18/1099823818.db2.gz VXZQBIPDHYLKHV-LBPRGKRZSA-N 2 2 316.367 3.249 20 0 DGADLP CCOc1cncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001236843927 1099828160 /nfs/dbraw/zinc/82/81/60/1099828160.db2.gz TUEHNABXOQXOMU-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001236843927 1099828161 /nfs/dbraw/zinc/82/81/61/1099828161.db2.gz TUEHNABXOQXOMU-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2cc(Br)cnc2c1 ZINC001236883443 1099850990 /nfs/dbraw/zinc/85/09/90/1099850990.db2.gz AXFUTTLDEJKFGO-AWEZNQCLSA-N 2 2 322.250 3.166 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cc(Br)cnc2c1 ZINC001236883443 1099851004 /nfs/dbraw/zinc/85/10/04/1099851004.db2.gz AXFUTTLDEJKFGO-AWEZNQCLSA-N 2 2 322.250 3.166 20 0 DGADLP C[C@]1(O)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901887 1099862229 /nfs/dbraw/zinc/86/22/29/1099862229.db2.gz CGOQFGHJZSYTKC-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236901887 1099862238 /nfs/dbraw/zinc/86/22/38/1099862238.db2.gz CGOQFGHJZSYTKC-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1O ZINC001236902844 1099865217 /nfs/dbraw/zinc/86/52/17/1099865217.db2.gz JOHNAQASBNIODF-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1O ZINC001236902844 1099865222 /nfs/dbraw/zinc/86/52/22/1099865222.db2.gz JOHNAQASBNIODF-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910153 1099870706 /nfs/dbraw/zinc/87/07/06/1099870706.db2.gz AMBYSCFVBZUMEX-OAHLLOKOSA-N 2 2 317.820 3.327 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236910153 1099870711 /nfs/dbraw/zinc/87/07/11/1099870711.db2.gz AMBYSCFVBZUMEX-OAHLLOKOSA-N 2 2 317.820 3.327 20 0 DGADLP FC[C@H]1[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]12 ZINC001236912430 1099873275 /nfs/dbraw/zinc/87/32/75/1099873275.db2.gz SRHYMXVHCCOHRE-ZSOGYDGISA-N 2 2 305.784 3.173 20 0 DGADLP FC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C[C@H]12 ZINC001236912430 1099873284 /nfs/dbraw/zinc/87/32/84/1099873284.db2.gz SRHYMXVHCCOHRE-ZSOGYDGISA-N 2 2 305.784 3.173 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1O ZINC001236913807 1099874528 /nfs/dbraw/zinc/87/45/28/1099874528.db2.gz ODZJERGALQXAFM-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1O ZINC001236913807 1099874537 /nfs/dbraw/zinc/87/45/37/1099874537.db2.gz ODZJERGALQXAFM-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP CC(C)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236914626 1099878082 /nfs/dbraw/zinc/87/80/82/1099878082.db2.gz ZPKBNSQHEBIKIG-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP COCCC[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CC[NH2+]C1 ZINC001236944501 1099884600 /nfs/dbraw/zinc/88/46/00/1099884600.db2.gz BMFOBMHXFPZZMP-AWEZNQCLSA-N 2 2 321.852 3.022 20 0 DGADLP COCCC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CC[NH2+]C1 ZINC001236944501 1099884610 /nfs/dbraw/zinc/88/46/10/1099884610.db2.gz BMFOBMHXFPZZMP-AWEZNQCLSA-N 2 2 321.852 3.022 20 0 DGADLP Fc1ccccc1-c1ccc(C[N@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001236991979 1099912978 /nfs/dbraw/zinc/91/29/78/1099912978.db2.gz GWUWGFGTGLPBCQ-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP Fc1ccccc1-c1ccc(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001236991979 1099912987 /nfs/dbraw/zinc/91/29/87/1099912987.db2.gz GWUWGFGTGLPBCQ-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Br ZINC001237056349 1099947375 /nfs/dbraw/zinc/94/73/75/1099947375.db2.gz ICLVDRUNSWMSPA-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)ccc1Br ZINC001237056349 1099947387 /nfs/dbraw/zinc/94/73/87/1099947387.db2.gz ICLVDRUNSWMSPA-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001237055591 1099948528 /nfs/dbraw/zinc/94/85/28/1099948528.db2.gz CWSNMUAHGOELDH-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001237055591 1099948537 /nfs/dbraw/zinc/94/85/37/1099948537.db2.gz CWSNMUAHGOELDH-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)c1 ZINC001237143458 1099991782 /nfs/dbraw/zinc/99/17/82/1099991782.db2.gz RSWKEIUHILMEAS-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)c1 ZINC001237143458 1099991789 /nfs/dbraw/zinc/99/17/89/1099991789.db2.gz RSWKEIUHILMEAS-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237142091 1099992305 /nfs/dbraw/zinc/99/23/05/1099992305.db2.gz LYVPFBYJTDOLEP-HXUWFJFHSA-N 2 2 322.408 3.150 20 0 DGADLP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237142091 1099992317 /nfs/dbraw/zinc/99/23/17/1099992317.db2.gz LYVPFBYJTDOLEP-HXUWFJFHSA-N 2 2 322.408 3.150 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143300 1099992641 /nfs/dbraw/zinc/99/26/41/1099992641.db2.gz QSYWNMODVSUWRP-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143300 1099992653 /nfs/dbraw/zinc/99/26/53/1099992653.db2.gz QSYWNMODVSUWRP-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143303 1099993530 /nfs/dbraw/zinc/99/35/30/1099993530.db2.gz QSYWNMODVSUWRP-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)cc1 ZINC001237143303 1099993533 /nfs/dbraw/zinc/99/35/33/1099993533.db2.gz QSYWNMODVSUWRP-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP c1ccc(Oc2cccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237143956 1099994184 /nfs/dbraw/zinc/99/41/84/1099994184.db2.gz SXWIYHGRJCQWOA-HXUWFJFHSA-N 2 2 324.424 3.043 20 0 DGADLP c1ccc(Oc2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237143956 1099994195 /nfs/dbraw/zinc/99/41/95/1099994195.db2.gz SXWIYHGRJCQWOA-HXUWFJFHSA-N 2 2 324.424 3.043 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237153488 1100001857 /nfs/dbraw/zinc/00/18/57/1100001857.db2.gz GMCAAMUUCYBDJD-LJQANCHMSA-N 2 2 313.489 3.393 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237153488 1100001866 /nfs/dbraw/zinc/00/18/66/1100001866.db2.gz GMCAAMUUCYBDJD-LJQANCHMSA-N 2 2 313.489 3.393 20 0 DGADLP CCC(=O)Oc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237153398 1100001992 /nfs/dbraw/zinc/00/19/92/1100001992.db2.gz DMLYVEFBYVDANP-KRWDZBQOSA-N 2 2 316.445 3.109 20 0 DGADLP CCC(=O)Oc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237153398 1100002001 /nfs/dbraw/zinc/00/20/01/1100002001.db2.gz DMLYVEFBYVDANP-KRWDZBQOSA-N 2 2 316.445 3.109 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237155753 1100005489 /nfs/dbraw/zinc/00/54/89/1100005489.db2.gz WCCDTRYBAZHCBM-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237155753 1100005492 /nfs/dbraw/zinc/00/54/92/1100005492.db2.gz WCCDTRYBAZHCBM-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237155753 1100005500 /nfs/dbraw/zinc/00/55/00/1100005500.db2.gz WCCDTRYBAZHCBM-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237155753 1100005504 /nfs/dbraw/zinc/00/55/04/1100005504.db2.gz WCCDTRYBAZHCBM-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccnc4c(Cl)cccc34)C[C@@H]2C1 ZINC001237155755 1100005707 /nfs/dbraw/zinc/00/57/07/1100005707.db2.gz WCCDTRYBAZHCBM-GJZGRUSLSA-N 2 2 315.848 3.272 20 0 DGADLP c1nc2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2s1 ZINC001237158571 1100006976 /nfs/dbraw/zinc/00/69/76/1100006976.db2.gz ZWDMLDWGWSPNGL-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2s1 ZINC001237158571 1100006984 /nfs/dbraw/zinc/00/69/84/1100006984.db2.gz ZWDMLDWGWSPNGL-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP Cc1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc(F)c1F ZINC001237166438 1100013491 /nfs/dbraw/zinc/01/34/91/1100013491.db2.gz LPQVEIIHIDVYKO-OAHLLOKOSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc(F)c1F ZINC001237166438 1100013498 /nfs/dbraw/zinc/01/34/98/1100013498.db2.gz LPQVEIIHIDVYKO-OAHLLOKOSA-N 2 2 304.340 3.322 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001237203134 1100030524 /nfs/dbraw/zinc/03/05/24/1100030524.db2.gz ADJYRWNOLQSHJA-ABAIWWIYSA-N 2 2 319.811 3.463 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001237203134 1100030535 /nfs/dbraw/zinc/03/05/35/1100030535.db2.gz ADJYRWNOLQSHJA-ABAIWWIYSA-N 2 2 319.811 3.463 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237224062 1100037996 /nfs/dbraw/zinc/03/79/96/1100037996.db2.gz BOQKYGRXJQKYMP-LJQANCHMSA-N 2 2 308.429 3.022 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237224062 1100038007 /nfs/dbraw/zinc/03/80/07/1100038007.db2.gz BOQKYGRXJQKYMP-LJQANCHMSA-N 2 2 308.429 3.022 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237389922 1100104457 /nfs/dbraw/zinc/10/44/57/1100104457.db2.gz HMFLOZACUVCNAA-WBVHZDCISA-N 2 2 313.470 3.384 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237389922 1100104461 /nfs/dbraw/zinc/10/44/61/1100104461.db2.gz HMFLOZACUVCNAA-WBVHZDCISA-N 2 2 313.470 3.384 20 0 DGADLP Fc1ccccc1-c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237409314 1100115315 /nfs/dbraw/zinc/11/53/15/1100115315.db2.gz AHZUKIAHCLPXHL-YJBOKZPZSA-N 2 2 313.420 3.395 20 0 DGADLP Fc1ccccc1-c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237409314 1100115321 /nfs/dbraw/zinc/11/53/21/1100115321.db2.gz AHZUKIAHCLPXHL-YJBOKZPZSA-N 2 2 313.420 3.395 20 0 DGADLP Fc1ccccc1-c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237409300 1100115454 /nfs/dbraw/zinc/11/54/54/1100115454.db2.gz AHZUKIAHCLPXHL-CRAIPNDOSA-N 2 2 313.420 3.395 20 0 DGADLP Fc1ccccc1-c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237409300 1100115461 /nfs/dbraw/zinc/11/54/61/1100115461.db2.gz AHZUKIAHCLPXHL-CRAIPNDOSA-N 2 2 313.420 3.395 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3c2OCC3)C2CCCC2)CC1 ZINC001237752489 1100239078 /nfs/dbraw/zinc/23/90/78/1100239078.db2.gz KPHYXVNWQVABGA-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3c2OCC3)C2CCCC2)CC1 ZINC001237752489 1100239086 /nfs/dbraw/zinc/23/90/86/1100239086.db2.gz KPHYXVNWQVABGA-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP Cc1ncsc1CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001190367315 1100262784 /nfs/dbraw/zinc/26/27/84/1100262784.db2.gz YESUTPPFTPVCLI-UHFFFAOYSA-N 2 2 307.507 3.334 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccsc2C)CC1 ZINC001237970582 1100307369 /nfs/dbraw/zinc/30/73/69/1100307369.db2.gz HNCCFGHUSXEQSU-QGZVFWFLSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccsc2C)CC1 ZINC001237970582 1100307378 /nfs/dbraw/zinc/30/73/78/1100307378.db2.gz HNCCFGHUSXEQSU-QGZVFWFLSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@H+](Cc1[nH]nc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC001237995426 1100318986 /nfs/dbraw/zinc/31/89/86/1100318986.db2.gz GBFRXQCKDNLIFM-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](Cc1[nH]nc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC001237995426 1100318992 /nfs/dbraw/zinc/31/89/92/1100318992.db2.gz GBFRXQCKDNLIFM-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC001190873725 1100355333 /nfs/dbraw/zinc/35/53/33/1100355333.db2.gz YACAADATTFXADL-HOTGVXAUSA-N 2 2 303.450 3.039 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001238115019 1100367209 /nfs/dbraw/zinc/36/72/09/1100367209.db2.gz ZHJIKSVANANAFM-IBGZPJMESA-N 2 2 307.397 3.125 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001238115019 1100367216 /nfs/dbraw/zinc/36/72/16/1100367216.db2.gz ZHJIKSVANANAFM-IBGZPJMESA-N 2 2 307.397 3.125 20 0 DGADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001239580875 1100694657 /nfs/dbraw/zinc/69/46/57/1100694657.db2.gz RFMYHTSVHUADRS-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001239580875 1100694661 /nfs/dbraw/zinc/69/46/61/1100694661.db2.gz RFMYHTSVHUADRS-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP Cn1ccc2cc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC001239942631 1100806292 /nfs/dbraw/zinc/80/62/92/1100806292.db2.gz PSXVZIKKSVAKSM-GOSISDBHSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2cc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC001239942631 1100806294 /nfs/dbraw/zinc/80/62/94/1100806294.db2.gz PSXVZIKKSVAKSM-GOSISDBHSA-N 2 2 305.425 3.378 20 0 DGADLP COc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239999225 1100825770 /nfs/dbraw/zinc/82/57/70/1100825770.db2.gz ZAZVSXTYVPOHHU-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239999225 1100825778 /nfs/dbraw/zinc/82/57/78/1100825778.db2.gz ZAZVSXTYVPOHHU-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP c1c[nH+]c(N2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)[nH]1 ZINC001193989771 1100851120 /nfs/dbraw/zinc/85/11/20/1100851120.db2.gz KOYHHDDSHHQWGI-UHFFFAOYSA-N 2 2 310.445 3.390 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C(F)(F)F)nc3)c2)C1 ZINC001240272636 1100919254 /nfs/dbraw/zinc/91/92/54/1100919254.db2.gz VDZRMWNVPHCTCA-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(F)(F)F)nc3)c2)C1 ZINC001240272636 1100919260 /nfs/dbraw/zinc/91/92/60/1100919260.db2.gz VDZRMWNVPHCTCA-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP COc1ccc(F)c(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240439574 1100995676 /nfs/dbraw/zinc/99/56/76/1100995676.db2.gz SWZKOGMFVASAFJ-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1ccc(F)c(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240439574 1100995682 /nfs/dbraw/zinc/99/56/82/1100995682.db2.gz SWZKOGMFVASAFJ-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc(F)c1F ZINC001240663366 1101086891 /nfs/dbraw/zinc/08/68/91/1101086891.db2.gz RMGGHAYPCODNPE-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc(F)c1F ZINC001240663366 1101086898 /nfs/dbraw/zinc/08/68/98/1101086898.db2.gz RMGGHAYPCODNPE-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4c(c3)CCCO4)c2)C1 ZINC001240774918 1101132716 /nfs/dbraw/zinc/13/27/16/1101132716.db2.gz NMYBYNAAMBXHKL-IBGZPJMESA-N 2 2 308.425 3.212 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(c3)CCCO4)c2)C1 ZINC001240774918 1101132720 /nfs/dbraw/zinc/13/27/20/1101132720.db2.gz NMYBYNAAMBXHKL-IBGZPJMESA-N 2 2 308.425 3.212 20 0 DGADLP CC(C)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001240811506 1101145791 /nfs/dbraw/zinc/14/57/91/1101145791.db2.gz WJGYQMAXIHMDIB-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001240811506 1101145792 /nfs/dbraw/zinc/14/57/92/1101145792.db2.gz WJGYQMAXIHMDIB-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP [NH3+]C1CC[NH+](Cc2ccccc2-c2c(F)cc(O)cc2F)CC1 ZINC001241121293 1101264277 /nfs/dbraw/zinc/26/42/77/1101264277.db2.gz GEJOMTGVIQZOBM-UHFFFAOYSA-N 2 2 318.367 3.261 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001241141513 1101272419 /nfs/dbraw/zinc/27/24/19/1101272419.db2.gz PQUVABSRFBMHSL-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001241141513 1101272423 /nfs/dbraw/zinc/27/24/23/1101272423.db2.gz PQUVABSRFBMHSL-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP C[NH+]1CCc2oc(-c3ccc(C4=CC[N@H+](C)CC4)cc3)nc2C1 ZINC001241333092 1101380875 /nfs/dbraw/zinc/38/08/75/1101380875.db2.gz RHCZGPAJELRJBK-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP C[NH+]1CCc2oc(-c3ccc(C4=CC[N@@H+](C)CC4)cc3)nc2C1 ZINC001241333092 1101380886 /nfs/dbraw/zinc/38/08/86/1101380886.db2.gz RHCZGPAJELRJBK-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP C[NH+]1CC=C(c2ccc(-c3nc4c(o3)CC[N@H+](C)C4)cc2)CC1 ZINC001241333092 1101380897 /nfs/dbraw/zinc/38/08/97/1101380897.db2.gz RHCZGPAJELRJBK-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP C[NH+]1CC=C(c2ccc(-c3nc4c(o3)CC[N@@H+](C)C4)cc2)CC1 ZINC001241333092 1101380906 /nfs/dbraw/zinc/38/09/06/1101380906.db2.gz RHCZGPAJELRJBK-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP Cc1cc[nH+]c(C)c1-c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001241784033 1101702729 /nfs/dbraw/zinc/70/27/29/1101702729.db2.gz RHZJQHCCVQAVKY-UHFFFAOYSA-N 2 2 311.429 3.047 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(c2)OCCCO3)C1 ZINC001242208121 1101979267 /nfs/dbraw/zinc/97/92/67/1101979267.db2.gz SFLRYVOAHSRFIJ-KRWDZBQOSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(c2)OCCCO3)C1 ZINC001242208121 1101979273 /nfs/dbraw/zinc/97/92/73/1101979273.db2.gz SFLRYVOAHSRFIJ-KRWDZBQOSA-N 2 2 324.424 3.048 20 0 DGADLP CCc1[nH]c(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)[nH+]1 ZINC001203244379 1102029138 /nfs/dbraw/zinc/02/91/38/1102029138.db2.gz XSELXEAZCVITPF-MRXNPFEDSA-N 2 2 312.461 3.159 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccncc32)C1 ZINC001242372636 1102086286 /nfs/dbraw/zinc/08/62/86/1102086286.db2.gz OTFVSENEMISBMR-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccncc32)C1 ZINC001242372636 1102086298 /nfs/dbraw/zinc/08/62/98/1102086298.db2.gz OTFVSENEMISBMR-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP c1ccc(NCCC[NH2+]Cc2nc3c(s2)CCCC3)[nH+]c1 ZINC001200902429 1102442964 /nfs/dbraw/zinc/44/29/64/1102442964.db2.gz RTLNWXQGTLOXHS-UHFFFAOYSA-N 2 2 302.447 3.009 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)s1 ZINC001205903892 1102455468 /nfs/dbraw/zinc/45/54/68/1102455468.db2.gz RWBBOFISHPZBBK-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)s1 ZINC001205903892 1102455471 /nfs/dbraw/zinc/45/54/71/1102455471.db2.gz RWBBOFISHPZBBK-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP CSc1cccc(F)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243123253 1102536525 /nfs/dbraw/zinc/53/65/25/1102536525.db2.gz GSTABBDJXWKVHP-UHFFFAOYSA-N 2 2 303.406 3.019 20 0 DGADLP C[NH+]1CCC(COc2ccc(Nc3ccc(N)[nH+]c3)cc2)CC1 ZINC001201295873 1102547693 /nfs/dbraw/zinc/54/76/93/1102547693.db2.gz VFVUIMKSUKPKEC-UHFFFAOYSA-N 2 2 312.417 3.128 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201558670 1102650149 /nfs/dbraw/zinc/65/01/49/1102650149.db2.gz DTXJBDVWIPUSQG-OAHLLOKOSA-N 2 2 316.449 3.494 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201558670 1102650162 /nfs/dbraw/zinc/65/01/62/1102650162.db2.gz DTXJBDVWIPUSQG-OAHLLOKOSA-N 2 2 316.449 3.494 20 0 DGADLP C[NH+]1CCN(c2cc(Nc3cccc4cc[nH+]cc43)cc[nH+]2)CC1 ZINC001201665855 1102691671 /nfs/dbraw/zinc/69/16/71/1102691671.db2.gz JSKQYTCEACBAJF-UHFFFAOYSA-N 3 2 319.412 3.125 20 0 DGADLP CSCCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201697696 1102692516 /nfs/dbraw/zinc/69/25/16/1102692516.db2.gz NDBGGXNCAASJIR-UHFFFAOYSA-N 2 2 310.482 3.475 20 0 DGADLP CSCCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201697696 1102692519 /nfs/dbraw/zinc/69/25/19/1102692519.db2.gz NDBGGXNCAASJIR-UHFFFAOYSA-N 2 2 310.482 3.475 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c(O)c3)cc2)C1 ZINC001243583586 1102826113 /nfs/dbraw/zinc/82/61/13/1102826113.db2.gz JECUIXXFQBSPBB-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)c(O)c3)cc2)C1 ZINC001243583586 1102826131 /nfs/dbraw/zinc/82/61/31/1102826131.db2.gz JECUIXXFQBSPBB-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)c(O)c3)c2)C1 ZINC001243583942 1102827066 /nfs/dbraw/zinc/82/70/66/1102827066.db2.gz NMJQALZJUDMAHW-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)c(O)c3)c2)C1 ZINC001243583942 1102827082 /nfs/dbraw/zinc/82/70/82/1102827082.db2.gz NMJQALZJUDMAHW-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)c(O)c2)C1 ZINC001243584453 1102828815 /nfs/dbraw/zinc/82/88/15/1102828815.db2.gz SXWWRPFBCOTGPR-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)c(O)c2)C1 ZINC001243584453 1102828835 /nfs/dbraw/zinc/82/88/35/1102828835.db2.gz SXWWRPFBCOTGPR-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP C[N@@H+]1CCc2oc(-c3ccc(/C=C/C4CC[NH2+]CC4)cc3)nc2C1 ZINC001243897151 1103036837 /nfs/dbraw/zinc/03/68/37/1103036837.db2.gz QQXNQSCZBVDGLS-NSCUHMNNSA-N 2 2 323.440 3.342 20 0 DGADLP C[N@H+]1CCc2oc(-c3ccc(/C=C/C4CC[NH2+]CC4)cc3)nc2C1 ZINC001243897151 1103036854 /nfs/dbraw/zinc/03/68/54/1103036854.db2.gz QQXNQSCZBVDGLS-NSCUHMNNSA-N 2 2 323.440 3.342 20 0 DGADLP c1cc(-c2ccc(C3CC[NH2+]CC3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001243902980 1103040843 /nfs/dbraw/zinc/04/08/43/1103040843.db2.gz WBWYGJANZOUSQZ-UHFFFAOYSA-N 2 2 323.440 3.052 20 0 DGADLP Cc1nc2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2o1 ZINC001243960740 1103085562 /nfs/dbraw/zinc/08/55/62/1103085562.db2.gz VWOKQOWIQDXGKD-UHFFFAOYSA-N 2 2 304.353 3.138 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001325875071 1103145299 /nfs/dbraw/zinc/14/52/99/1103145299.db2.gz WYHGGSNUWSMKOL-JKSUJKDBSA-N 2 2 318.380 3.318 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244201524 1103278924 /nfs/dbraw/zinc/27/89/24/1103278924.db2.gz FJTNCMXDWRIJOQ-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244201524 1103278937 /nfs/dbraw/zinc/27/89/37/1103278937.db2.gz FJTNCMXDWRIJOQ-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Cc1nn(C)c2cc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)ccc12 ZINC001244232167 1103296671 /nfs/dbraw/zinc/29/66/71/1103296671.db2.gz DCNJFIBWRCLWHJ-QGZVFWFLSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2cc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)ccc12 ZINC001244232167 1103296684 /nfs/dbraw/zinc/29/66/84/1103296684.db2.gz DCNJFIBWRCLWHJ-QGZVFWFLSA-N 2 2 320.440 3.082 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(Cl)ccc(O)c3F)cc2)C1 ZINC001244541524 1103508609 /nfs/dbraw/zinc/50/86/09/1103508609.db2.gz DOLPBABEBPIWJS-CYBMUJFWSA-N 2 2 320.795 3.385 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(Cl)ccc(O)c3F)cc2)C1 ZINC001244541524 1103508620 /nfs/dbraw/zinc/50/86/20/1103508620.db2.gz DOLPBABEBPIWJS-CYBMUJFWSA-N 2 2 320.795 3.385 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(Cl)ccc(O)c3F)cc2)C1 ZINC001244541529 1103509628 /nfs/dbraw/zinc/50/96/28/1103509628.db2.gz DOLPBABEBPIWJS-ZDUSSCGKSA-N 2 2 320.795 3.385 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(Cl)ccc(O)c3F)cc2)C1 ZINC001244541529 1103509637 /nfs/dbraw/zinc/50/96/37/1103509637.db2.gz DOLPBABEBPIWJS-ZDUSSCGKSA-N 2 2 320.795 3.385 20 0 DGADLP Oc1ccc(Cl)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1F ZINC001244540521 1103510398 /nfs/dbraw/zinc/51/03/98/1103510398.db2.gz YGOXPZYCEXVZQB-UHFFFAOYSA-N 2 2 317.751 3.186 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(Cl)c2CO)C1 ZINC001244576424 1103535527 /nfs/dbraw/zinc/53/55/27/1103535527.db2.gz OZIIIYCSWSRPAH-AWEZNQCLSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Cl)c2CO)C1 ZINC001244576424 1103535534 /nfs/dbraw/zinc/53/55/34/1103535534.db2.gz OZIIIYCSWSRPAH-AWEZNQCLSA-N 2 2 316.832 3.032 20 0 DGADLP CCCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001327881893 1103753906 /nfs/dbraw/zinc/75/39/06/1103753906.db2.gz ACXAUMWWOJAULH-WMLDXEAASA-N 2 2 317.477 3.247 20 0 DGADLP Cc1noc2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc12 ZINC001245280917 1103959529 /nfs/dbraw/zinc/95/95/29/1103959529.db2.gz RPONGLPVQVVMQS-UHFFFAOYSA-N 2 2 304.353 3.138 20 0 DGADLP c1cnn(-c2ccccc2C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001137092347 1103973569 /nfs/dbraw/zinc/97/35/69/1103973569.db2.gz OQQGREOMUULTBH-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001245356792 1104003695 /nfs/dbraw/zinc/00/36/95/1104003695.db2.gz OTHJIJGBJKOCKP-TZIWHRDSSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001245356792 1104003706 /nfs/dbraw/zinc/00/37/06/1104003706.db2.gz OTHJIJGBJKOCKP-TZIWHRDSSA-N 3 2 321.468 3.311 20 0 DGADLP Nc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1Cl ZINC001245467793 1104075608 /nfs/dbraw/zinc/07/56/08/1104075608.db2.gz CDXBDLZFALSGQG-CQSZACIVSA-N 2 2 319.811 3.261 20 0 DGADLP Nc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1Cl ZINC001245467793 1104075616 /nfs/dbraw/zinc/07/56/16/1104075616.db2.gz CDXBDLZFALSGQG-CQSZACIVSA-N 2 2 319.811 3.261 20 0 DGADLP c1cn(Cc2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)nc2)c[nH+]1 ZINC001245524235 1104103370 /nfs/dbraw/zinc/10/33/70/1104103370.db2.gz MIJICBWVVYYZIM-UHFFFAOYSA-N 2 2 318.424 3.460 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCCCF)c(C)[nH+]1 ZINC001329086895 1104147458 /nfs/dbraw/zinc/14/74/58/1104147458.db2.gz QXZVONLQPGYGSV-HUUCEWRRSA-N 2 2 323.456 3.243 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)sc2C1 ZINC001329161564 1104174045 /nfs/dbraw/zinc/17/40/45/1104174045.db2.gz NRRQELHOSSCCAU-KGLIPLIRSA-N 2 2 307.507 3.089 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161564 1104174051 /nfs/dbraw/zinc/17/40/51/1104174051.db2.gz NRRQELHOSSCCAU-KGLIPLIRSA-N 2 2 307.507 3.089 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCc4ncccc43)cc2)c[nH+]1 ZINC001329363810 1104231615 /nfs/dbraw/zinc/23/16/15/1104231615.db2.gz NFOYRQCEFMTNDW-LJQANCHMSA-N 2 2 304.397 3.435 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCc4ncccc43)cc2)c[nH+]1 ZINC001329363808 1104232056 /nfs/dbraw/zinc/23/20/56/1104232056.db2.gz NFOYRQCEFMTNDW-IBGZPJMESA-N 2 2 304.397 3.435 20 0 DGADLP CCCC[C@H](O)C[NH2+]C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001246004953 1104350787 /nfs/dbraw/zinc/35/07/87/1104350787.db2.gz LKFAWNYDIXJSJT-AWEZNQCLSA-N 2 2 310.869 3.059 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246074267 1104366530 /nfs/dbraw/zinc/36/65/30/1104366530.db2.gz BYDZARHQUHWOTP-QAPCUYQASA-N 2 2 302.368 3.112 20 0 DGADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246101092 1104385978 /nfs/dbraw/zinc/38/59/78/1104385978.db2.gz YUIKCTBYNPUWLC-IHRRRGAJSA-N 2 2 314.470 3.360 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246149226 1104406871 /nfs/dbraw/zinc/40/68/71/1104406871.db2.gz UDKPMLMPELUDFM-BXUZGUMPSA-N 2 2 302.846 3.112 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)CC[NH2+]1 ZINC001246158417 1104410156 /nfs/dbraw/zinc/41/01/56/1104410156.db2.gz LJSNRTKEFLCQLD-AAEUAGOBSA-N 2 2 300.368 3.360 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246165548 1104413980 /nfs/dbraw/zinc/41/39/80/1104413980.db2.gz JENQKLUWSHHQCF-LSDHHAIUSA-N 2 2 300.368 3.487 20 0 DGADLP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246178130 1104424486 /nfs/dbraw/zinc/42/44/86/1104424486.db2.gz NMNQOHJZBAFNTE-WOJBJXKFSA-N 3 2 315.505 3.463 20 0 DGADLP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246178130 1104424492 /nfs/dbraw/zinc/42/44/92/1104424492.db2.gz NMNQOHJZBAFNTE-WOJBJXKFSA-N 3 2 315.505 3.463 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(OC)c2F)CC[NH2+]1 ZINC001246221636 1104443543 /nfs/dbraw/zinc/44/35/43/1104443543.db2.gz DVNSTJOCWODFAG-ZIAGYGMSSA-N 2 2 312.404 3.374 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246224801 1104445989 /nfs/dbraw/zinc/44/59/89/1104445989.db2.gz JDKYFEKMSWEWCJ-AAEUAGOBSA-N 2 2 302.796 3.484 20 0 DGADLP Fc1cccc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246228764 1104448018 /nfs/dbraw/zinc/44/80/18/1104448018.db2.gz JFCRWHADSIRZSD-ZACCUICWSA-N 2 2 302.315 3.217 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246226766 1104448022 /nfs/dbraw/zinc/44/80/22/1104448022.db2.gz UBJLGZZFMDMFFJ-STQMWFEESA-N 2 2 304.331 3.465 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC001246249359 1104459698 /nfs/dbraw/zinc/45/96/98/1104459698.db2.gz OYJGKXVELUDLCO-QWHCGFSZSA-N 2 2 315.230 3.208 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246269323 1104467127 /nfs/dbraw/zinc/46/71/27/1104467127.db2.gz QNNWTLVWUMININ-NHYWBVRUSA-N 2 2 302.796 3.484 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246278180 1104470630 /nfs/dbraw/zinc/47/06/30/1104470630.db2.gz FATDJCJTTDVXSO-QZTJIDSGSA-N 2 2 300.833 3.487 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246280325 1104472638 /nfs/dbraw/zinc/47/26/38/1104472638.db2.gz SZBIZVUQSYHKGA-QAPCUYQASA-N 2 2 302.368 3.112 20 0 DGADLP C[N@H+](CCC[NH3+])CCC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246284458 1104474189 /nfs/dbraw/zinc/47/41/89/1104474189.db2.gz NNUBVOREJZQDPI-UHFFFAOYSA-N 3 2 317.521 3.048 20 0 DGADLP C[N@@H+](CCC[NH3+])CCC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246284458 1104474194 /nfs/dbraw/zinc/47/41/94/1104474194.db2.gz NNUBVOREJZQDPI-UHFFFAOYSA-N 3 2 317.521 3.048 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3cccc(Cl)c3)no2)CC[NH2+]1 ZINC001246308060 1104482774 /nfs/dbraw/zinc/48/27/74/1104482774.db2.gz IQJUYUOTBSJJCQ-BXUZGUMPSA-N 2 2 305.809 3.225 20 0 DGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(Br)o2)CC[NH2+]1 ZINC001246324175 1104489211 /nfs/dbraw/zinc/48/92/11/1104489211.db2.gz FYYLBELZHPDGRJ-NWDGAFQWSA-N 2 2 315.255 3.443 20 0 DGADLP C[NH2+]CC[C@H](C)[NH2+]C1(c2ccccc2Br)CCC1 ZINC001246360465 1104507483 /nfs/dbraw/zinc/50/74/83/1104507483.db2.gz GPZUUAGVJMKARN-LBPRGKRZSA-N 2 2 311.267 3.416 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246371046 1104513805 /nfs/dbraw/zinc/51/38/05/1104513805.db2.gz ULXXCPJJKCOOSQ-HOTGVXAUSA-N 2 2 317.477 3.413 20 0 DGADLP C[N@@H+]1CCC2(C[NH+](CCCc3ccccc3C(F)(F)F)C2)C1 ZINC001274886650 1104529858 /nfs/dbraw/zinc/52/98/58/1104529858.db2.gz JNAUGHZSXDWNIJ-UHFFFAOYSA-N 2 2 312.379 3.276 20 0 DGADLP C[N@H+]1CCC2(C[NH+](CCCc3ccccc3C(F)(F)F)C2)C1 ZINC001274886650 1104529863 /nfs/dbraw/zinc/52/98/63/1104529863.db2.gz JNAUGHZSXDWNIJ-UHFFFAOYSA-N 2 2 312.379 3.276 20 0 DGADLP c1cc2ccc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)nc2[nH]1 ZINC001275033782 1104586018 /nfs/dbraw/zinc/58/60/18/1104586018.db2.gz CKPMDGAEUCCGHJ-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1cc2ccc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)nc2[nH]1 ZINC001275033782 1104586026 /nfs/dbraw/zinc/58/60/26/1104586026.db2.gz CKPMDGAEUCCGHJ-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP CC(C)=CCC[C@H](C)C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001275057021 1104597200 /nfs/dbraw/zinc/59/72/00/1104597200.db2.gz HOCHLSGMOTUGKL-SFHVURJKSA-N 2 2 316.493 3.026 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001330626187 1104598563 /nfs/dbraw/zinc/59/85/63/1104598563.db2.gz ZBGADRUSCSWZEP-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001330626187 1104598569 /nfs/dbraw/zinc/59/85/69/1104598569.db2.gz ZBGADRUSCSWZEP-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062307 1104600837 /nfs/dbraw/zinc/60/08/37/1104600837.db2.gz VJGZUSCJMCZBJT-QFBILLFUSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062307 1104600843 /nfs/dbraw/zinc/60/08/43/1104600843.db2.gz VJGZUSCJMCZBJT-QFBILLFUSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062307 1104600848 /nfs/dbraw/zinc/60/08/48/1104600848.db2.gz VJGZUSCJMCZBJT-QFBILLFUSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062307 1104600854 /nfs/dbraw/zinc/60/08/54/1104600854.db2.gz VJGZUSCJMCZBJT-QFBILLFUSA-N 2 2 317.477 3.121 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246575238 1104602054 /nfs/dbraw/zinc/60/20/54/1104602054.db2.gz ZXUBIKCBDPEWHD-WKPIXPDZSA-N 2 2 302.796 3.171 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246575238 1104602058 /nfs/dbraw/zinc/60/20/58/1104602058.db2.gz ZXUBIKCBDPEWHD-WKPIXPDZSA-N 2 2 302.796 3.171 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599122 1104616717 /nfs/dbraw/zinc/61/67/17/1104616717.db2.gz QAKUNGNHNZAYCN-SJORKVTESA-N 2 2 316.445 3.084 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599122 1104616720 /nfs/dbraw/zinc/61/67/20/1104616720.db2.gz QAKUNGNHNZAYCN-SJORKVTESA-N 2 2 316.445 3.084 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246601389 1104617844 /nfs/dbraw/zinc/61/78/44/1104617844.db2.gz IFEUOOCBHTZSTK-XJKSGUPXSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246601389 1104617847 /nfs/dbraw/zinc/61/78/47/1104617847.db2.gz IFEUOOCBHTZSTK-XJKSGUPXSA-N 2 2 312.379 3.464 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCC(C)C)C3)n(C)n1 ZINC001275102042 1104624324 /nfs/dbraw/zinc/62/43/24/1104624324.db2.gz HIHPPJOKWQVRBA-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCC(C)C)C3)n(C)n1 ZINC001275102042 1104624327 /nfs/dbraw/zinc/62/43/27/1104624327.db2.gz HIHPPJOKWQVRBA-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCC(C)C)C3)n(C)n1 ZINC001275102042 1104624332 /nfs/dbraw/zinc/62/43/32/1104624332.db2.gz HIHPPJOKWQVRBA-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCC(C)C)C3)n(C)n1 ZINC001275102042 1104624335 /nfs/dbraw/zinc/62/43/35/1104624335.db2.gz HIHPPJOKWQVRBA-LJQANCHMSA-N 2 2 318.509 3.063 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246612811 1104628694 /nfs/dbraw/zinc/62/86/94/1104628694.db2.gz XEZFOZPLWZBEDP-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246612811 1104628697 /nfs/dbraw/zinc/62/86/97/1104628697.db2.gz XEZFOZPLWZBEDP-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cccc2c1C[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613011 1104628742 /nfs/dbraw/zinc/62/87/42/1104628742.db2.gz KCDCXBWKZCULJE-VQIMIIECSA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613011 1104628744 /nfs/dbraw/zinc/62/87/44/1104628744.db2.gz KCDCXBWKZCULJE-VQIMIIECSA-N 2 2 302.437 3.291 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)C2 ZINC001246626821 1104634703 /nfs/dbraw/zinc/63/47/03/1104634703.db2.gz IHXUUAPGEOGBEA-RCBQFDQVSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)C2 ZINC001246626821 1104634704 /nfs/dbraw/zinc/63/47/04/1104634704.db2.gz IHXUUAPGEOGBEA-RCBQFDQVSA-N 2 2 311.256 3.287 20 0 DGADLP c1ccc([C@H]2C[C@@H]([N@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647690 1104646127 /nfs/dbraw/zinc/64/61/27/1104646127.db2.gz MLNXBIGTRXLEGV-RBUKOAKNSA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@H]2C[C@@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647690 1104646130 /nfs/dbraw/zinc/64/61/30/1104646130.db2.gz MLNXBIGTRXLEGV-RBUKOAKNSA-N 3 2 313.489 3.088 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001275153604 1104652298 /nfs/dbraw/zinc/65/22/98/1104652298.db2.gz OAJDTRYTZVQYIM-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@H+](CC3CCCC3)C2)C1 ZINC001275153604 1104652301 /nfs/dbraw/zinc/65/23/01/1104652301.db2.gz OAJDTRYTZVQYIM-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@H+]1CCC[C@]2(CCC[NH+](CC3CCCC3)C2)C1 ZINC001275153604 1104652305 /nfs/dbraw/zinc/65/23/05/1104652305.db2.gz OAJDTRYTZVQYIM-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CCC[C@]2(CCC[NH+](CC3CCCC3)C2)C1 ZINC001275153604 1104652309 /nfs/dbraw/zinc/65/23/09/1104652309.db2.gz OAJDTRYTZVQYIM-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1ccc(C[N@H+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246776192 1104668885 /nfs/dbraw/zinc/66/88/85/1104668885.db2.gz IEARZEMTGSNFLD-YOFSQIOKSA-N 2 2 307.441 3.367 20 0 DGADLP c1ccc(C[N@@H+](Cc2cccnc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246776192 1104668889 /nfs/dbraw/zinc/66/88/89/1104668889.db2.gz IEARZEMTGSNFLD-YOFSQIOKSA-N 2 2 307.441 3.367 20 0 DGADLP CC[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246795913 1104679377 /nfs/dbraw/zinc/67/93/77/1104679377.db2.gz JRUFVSSKMCMWEA-HKUYNNGSSA-N 3 2 319.468 3.001 20 0 DGADLP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246795913 1104679381 /nfs/dbraw/zinc/67/93/81/1104679381.db2.gz JRUFVSSKMCMWEA-HKUYNNGSSA-N 3 2 319.468 3.001 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246802319 1104682348 /nfs/dbraw/zinc/68/23/48/1104682348.db2.gz JKLCYNVMVXUGMD-JJXSEGSLSA-N 2 2 310.482 3.102 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246802319 1104682354 /nfs/dbraw/zinc/68/23/54/1104682354.db2.gz JKLCYNVMVXUGMD-JJXSEGSLSA-N 2 2 310.482 3.102 20 0 DGADLP CC[C@@H]1CC([N@@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@@H](CC)[NH2+]1 ZINC001246811609 1104685034 /nfs/dbraw/zinc/68/50/34/1104685034.db2.gz QHUKOIQQCDWFJO-HUUCEWRRSA-N 2 2 316.445 3.098 20 0 DGADLP CC[C@@H]1CC([N@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@@H](CC)[NH2+]1 ZINC001246811609 1104685040 /nfs/dbraw/zinc/68/50/40/1104685040.db2.gz QHUKOIQQCDWFJO-HUUCEWRRSA-N 2 2 316.445 3.098 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246818875 1104690242 /nfs/dbraw/zinc/69/02/42/1104690242.db2.gz BYVQBEVTHFGZTA-PBFPGSCMSA-N 2 2 308.466 3.445 20 0 DGADLP C[C@@H]1CC([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246818875 1104690246 /nfs/dbraw/zinc/69/02/46/1104690246.db2.gz BYVQBEVTHFGZTA-PBFPGSCMSA-N 2 2 308.466 3.445 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275276419 1104700121 /nfs/dbraw/zinc/70/01/21/1104700121.db2.gz YAGBRRKKGACGPC-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001275276419 1104700129 /nfs/dbraw/zinc/70/01/29/1104700129.db2.gz YAGBRRKKGACGPC-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275276419 1104700137 /nfs/dbraw/zinc/70/01/37/1104700137.db2.gz YAGBRRKKGACGPC-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275276419 1104700145 /nfs/dbraw/zinc/70/01/45/1104700145.db2.gz YAGBRRKKGACGPC-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246863632 1104711246 /nfs/dbraw/zinc/71/12/46/1104711246.db2.gz MWRFIGXMENYXSU-PBHICJAKSA-N 2 2 306.425 3.057 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246866976 1104712644 /nfs/dbraw/zinc/71/26/44/1104712644.db2.gz LOKZCYISMLYEAU-RBUKOAKNSA-N 2 2 314.473 3.414 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246866976 1104712652 /nfs/dbraw/zinc/71/26/52/1104712652.db2.gz LOKZCYISMLYEAU-RBUKOAKNSA-N 2 2 314.473 3.414 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874211 1104715824 /nfs/dbraw/zinc/71/58/24/1104715824.db2.gz WCSGCSRPUAHOBW-SJORKVTESA-N 2 2 320.477 3.446 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874211 1104715831 /nfs/dbraw/zinc/71/58/31/1104715831.db2.gz WCSGCSRPUAHOBW-SJORKVTESA-N 2 2 320.477 3.446 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874208 1104717155 /nfs/dbraw/zinc/71/71/55/1104717155.db2.gz WCSGCSRPUAHOBW-DLBZAZTESA-N 2 2 320.477 3.446 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874208 1104717162 /nfs/dbraw/zinc/71/71/62/1104717162.db2.gz WCSGCSRPUAHOBW-DLBZAZTESA-N 2 2 320.477 3.446 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913823 1104735977 /nfs/dbraw/zinc/73/59/77/1104735977.db2.gz HCDXPXCAGPZNEM-MSOLQXFVSA-N 2 2 316.445 3.100 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913823 1104735982 /nfs/dbraw/zinc/73/59/82/1104735982.db2.gz HCDXPXCAGPZNEM-MSOLQXFVSA-N 2 2 316.445 3.100 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)CC2 ZINC001246962073 1104752289 /nfs/dbraw/zinc/75/22/89/1104752289.db2.gz JHFKAADZGRZUQV-NHCUHLMSSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)CC2 ZINC001246962073 1104752295 /nfs/dbraw/zinc/75/22/95/1104752295.db2.gz JHFKAADZGRZUQV-NHCUHLMSSA-N 2 2 321.468 3.111 20 0 DGADLP CO[C@@H]1C[N@@H+]([C@@H](C)CC(c2ccccc2)c2ccccc2)C[C@@H]1[NH3+] ZINC001246982107 1104762725 /nfs/dbraw/zinc/76/27/25/1104762725.db2.gz BNVUMARSVCLPCZ-ORYQWCPZSA-N 2 2 324.468 3.255 20 0 DGADLP CO[C@@H]1C[N@H+]([C@@H](C)CC(c2ccccc2)c2ccccc2)C[C@@H]1[NH3+] ZINC001246982107 1104762728 /nfs/dbraw/zinc/76/27/28/1104762728.db2.gz BNVUMARSVCLPCZ-ORYQWCPZSA-N 2 2 324.468 3.255 20 0 DGADLP CCCCCC[C@H](CCC)[N@@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246989338 1104764928 /nfs/dbraw/zinc/76/49/28/1104764928.db2.gz QUWVUGRNLRVZRN-SCTDSRPQSA-N 2 2 324.509 3.353 20 0 DGADLP CCCCCC[C@H](CCC)[N@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246989338 1104764933 /nfs/dbraw/zinc/76/49/33/1104764933.db2.gz QUWVUGRNLRVZRN-SCTDSRPQSA-N 2 2 324.509 3.353 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246993620 1104767473 /nfs/dbraw/zinc/76/74/73/1104767473.db2.gz OPDQNWAUFDJSGJ-MSOLQXFVSA-N 3 2 309.542 3.349 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246993620 1104767479 /nfs/dbraw/zinc/76/74/79/1104767479.db2.gz OPDQNWAUFDJSGJ-MSOLQXFVSA-N 3 2 309.542 3.349 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247013640 1104778304 /nfs/dbraw/zinc/77/83/04/1104778304.db2.gz HDFWGCCSPCOGQO-WOSRLPQWSA-N 2 2 324.390 3.035 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247013640 1104778306 /nfs/dbraw/zinc/77/83/06/1104778306.db2.gz HDFWGCCSPCOGQO-WOSRLPQWSA-N 2 2 324.390 3.035 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001275740140 1104889474 /nfs/dbraw/zinc/88/94/74/1104889474.db2.gz FFYINMNORRKZKN-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275740140 1104889484 /nfs/dbraw/zinc/88/94/84/1104889484.db2.gz FFYINMNORRKZKN-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275740140 1104889492 /nfs/dbraw/zinc/88/94/92/1104889492.db2.gz FFYINMNORRKZKN-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275740140 1104889501 /nfs/dbraw/zinc/88/95/01/1104889501.db2.gz FFYINMNORRKZKN-IBGZPJMESA-N 2 2 318.509 3.173 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852545 1104932598 /nfs/dbraw/zinc/93/25/98/1104932598.db2.gz BRFJFZDQANGJHQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852545 1104932604 /nfs/dbraw/zinc/93/26/04/1104932604.db2.gz BRFJFZDQANGJHQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852545 1104932606 /nfs/dbraw/zinc/93/26/06/1104932606.db2.gz BRFJFZDQANGJHQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852545 1104932610 /nfs/dbraw/zinc/93/26/10/1104932610.db2.gz BRFJFZDQANGJHQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP c1cc2cc(-c3noc([C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)ccc2o1 ZINC001247857682 1105001789 /nfs/dbraw/zinc/00/17/89/1105001789.db2.gz DKLHWBUCUVINAP-CQSZACIVSA-N 2 2 324.384 3.030 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276187266 1105042799 /nfs/dbraw/zinc/04/27/99/1105042799.db2.gz AXKUOHIMLZYIDO-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1F ZINC001276187266 1105042803 /nfs/dbraw/zinc/04/28/03/1105042803.db2.gz AXKUOHIMLZYIDO-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)ccc1F ZINC001276187266 1105042807 /nfs/dbraw/zinc/04/28/07/1105042807.db2.gz AXKUOHIMLZYIDO-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)ccc1F ZINC001276187266 1105042813 /nfs/dbraw/zinc/04/28/13/1105042813.db2.gz AXKUOHIMLZYIDO-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(CN(Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276206525 1105047367 /nfs/dbraw/zinc/04/73/67/1105047367.db2.gz KYMHLCOVFPYZPE-KRWDZBQOSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(CN(Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276206525 1105047375 /nfs/dbraw/zinc/04/73/75/1105047375.db2.gz KYMHLCOVFPYZPE-KRWDZBQOSA-N 2 2 318.509 3.442 20 0 DGADLP Cc1cnccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276255623 1105064193 /nfs/dbraw/zinc/06/41/93/1105064193.db2.gz BHHSBRIKCJPVKL-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cnccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276255623 1105064201 /nfs/dbraw/zinc/06/42/01/1105064201.db2.gz BHHSBRIKCJPVKL-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cnccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276255623 1105064210 /nfs/dbraw/zinc/06/42/10/1105064210.db2.gz BHHSBRIKCJPVKL-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cnccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276255623 1105064217 /nfs/dbraw/zinc/06/42/17/1105064217.db2.gz BHHSBRIKCJPVKL-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(O)c[nH+]c1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001248403289 1105109869 /nfs/dbraw/zinc/10/98/69/1105109869.db2.gz IQGDEYKAYYAJPM-UHFFFAOYSA-N 2 2 301.390 3.170 20 0 DGADLP CC(C)C[C@H](C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001249253895 1105257737 /nfs/dbraw/zinc/25/77/37/1105257737.db2.gz MDBNKVNJTBXXFU-CYBMUJFWSA-N 2 2 311.389 3.011 20 0 DGADLP [NH3+]CC1CCC(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC1 ZINC001249260554 1105259390 /nfs/dbraw/zinc/25/93/90/1105259390.db2.gz CAHPNLKFHMLFOR-UHFFFAOYSA-N 2 2 323.400 3.155 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2[nH]nc3ccccc32)CC1 ZINC001137351763 1105496053 /nfs/dbraw/zinc/49/60/53/1105496053.db2.gz IQBWXLZVXFDSEU-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2[nH]nc3ccccc32)CC1 ZINC001137351763 1105496055 /nfs/dbraw/zinc/49/60/55/1105496055.db2.gz IQBWXLZVXFDSEU-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394856 1105513423 /nfs/dbraw/zinc/51/34/23/1105513423.db2.gz AQZIZGBGHXNCGS-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394856 1105513426 /nfs/dbraw/zinc/51/34/26/1105513426.db2.gz AQZIZGBGHXNCGS-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394856 1105513428 /nfs/dbraw/zinc/51/34/28/1105513428.db2.gz AQZIZGBGHXNCGS-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]21 ZINC001137394856 1105513431 /nfs/dbraw/zinc/51/34/31/1105513431.db2.gz AQZIZGBGHXNCGS-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC)c1OCC1CC1 ZINC001250528487 1105531898 /nfs/dbraw/zinc/53/18/98/1105531898.db2.gz VBCBXFYZQUQUSH-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC)c1OCC1CC1 ZINC001250528487 1105531904 /nfs/dbraw/zinc/53/19/04/1105531904.db2.gz VBCBXFYZQUQUSH-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)c1ccccc1 ZINC001251992502 1105721158 /nfs/dbraw/zinc/72/11/58/1105721158.db2.gz VFYNTHQTSKCWPM-IBGZPJMESA-N 2 2 307.397 3.038 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)c1ccccc1 ZINC001251992502 1105721165 /nfs/dbraw/zinc/72/11/65/1105721165.db2.gz VFYNTHQTSKCWPM-IBGZPJMESA-N 2 2 307.397 3.038 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253192807 1105900935 /nfs/dbraw/zinc/90/09/35/1105900935.db2.gz YNDWIUGMGXJEBI-DLBZAZTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253192807 1105900940 /nfs/dbraw/zinc/90/09/40/1105900940.db2.gz YNDWIUGMGXJEBI-DLBZAZTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC001253211642 1105903735 /nfs/dbraw/zinc/90/37/35/1105903735.db2.gz YEHDKLLFNHYWFK-QWHCGFSZSA-N 2 2 318.383 3.059 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C(c1cccs1)c1cccs1 ZINC001253413110 1105937233 /nfs/dbraw/zinc/93/72/33/1105937233.db2.gz YDSVZGQFGOHNED-LBPRGKRZSA-N 2 2 324.515 3.238 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC001254509280 1106087008 /nfs/dbraw/zinc/08/70/08/1106087008.db2.gz XZUARVMRYWYFBK-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC001254509280 1106087012 /nfs/dbraw/zinc/08/70/12/1106087012.db2.gz XZUARVMRYWYFBK-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528596 1106094118 /nfs/dbraw/zinc/09/41/18/1106094118.db2.gz HMWHXRPNLWGOPK-MSOLQXFVSA-N 2 2 322.880 3.372 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528596 1106094124 /nfs/dbraw/zinc/09/41/24/1106094124.db2.gz HMWHXRPNLWGOPK-MSOLQXFVSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528596 1106094129 /nfs/dbraw/zinc/09/41/29/1106094129.db2.gz HMWHXRPNLWGOPK-MSOLQXFVSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528596 1106094136 /nfs/dbraw/zinc/09/41/36/1106094136.db2.gz HMWHXRPNLWGOPK-MSOLQXFVSA-N 2 2 322.880 3.372 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254621522 1106115038 /nfs/dbraw/zinc/11/50/38/1106115038.db2.gz ZLPBPBPIJIECLA-SFHVURJKSA-N 2 2 319.468 3.114 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254621522 1106115039 /nfs/dbraw/zinc/11/50/39/1106115039.db2.gz ZLPBPBPIJIECLA-SFHVURJKSA-N 2 2 319.468 3.114 20 0 DGADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254849916 1106148906 /nfs/dbraw/zinc/14/89/06/1106148906.db2.gz ZLELFEQZABBUKR-NRXISQOPSA-N 2 2 304.400 3.429 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254849188 1106149007 /nfs/dbraw/zinc/14/90/07/1106149007.db2.gz SEIRMNJPLPJEBQ-ZWKOTPCHSA-N 2 2 304.865 3.271 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254960494 1106160695 /nfs/dbraw/zinc/16/06/95/1106160695.db2.gz JMGOJPDCWJRKGY-VQFNDLOPSA-N 2 2 309.413 3.062 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254960494 1106160699 /nfs/dbraw/zinc/16/06/99/1106160699.db2.gz JMGOJPDCWJRKGY-VQFNDLOPSA-N 2 2 309.413 3.062 20 0 DGADLP Cc1nocc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122864 1106184215 /nfs/dbraw/zinc/18/42/15/1106184215.db2.gz WNAXFQDYRYOOBE-LDLYASANSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1nocc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122864 1106184217 /nfs/dbraw/zinc/18/42/17/1106184217.db2.gz WNAXFQDYRYOOBE-LDLYASANSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC001255125288 1106185501 /nfs/dbraw/zinc/18/55/01/1106185501.db2.gz VPENHFVPAQKRKE-VJDPLVQDSA-N 2 2 324.472 3.014 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC001255125288 1106185505 /nfs/dbraw/zinc/18/55/05/1106185505.db2.gz VPENHFVPAQKRKE-VJDPLVQDSA-N 2 2 324.472 3.014 20 0 DGADLP Cn1cc(C[N@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001255135817 1106187365 /nfs/dbraw/zinc/18/73/65/1106187365.db2.gz FRXRUIVYHXVTKR-PMOLBWCYSA-N 2 2 324.472 3.048 20 0 DGADLP Cn1cc(C[N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001255135817 1106187366 /nfs/dbraw/zinc/18/73/66/1106187366.db2.gz FRXRUIVYHXVTKR-PMOLBWCYSA-N 2 2 324.472 3.048 20 0 DGADLP Cn1cc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001255135817 1106187367 /nfs/dbraw/zinc/18/73/67/1106187367.db2.gz FRXRUIVYHXVTKR-PMOLBWCYSA-N 2 2 324.472 3.048 20 0 DGADLP Cn1cc(C[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255135817 1106187368 /nfs/dbraw/zinc/18/73/68/1106187368.db2.gz FRXRUIVYHXVTKR-PMOLBWCYSA-N 2 2 324.472 3.048 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137192 1106187921 /nfs/dbraw/zinc/18/79/21/1106187921.db2.gz PKCSWQMXRJGYJS-XUJCIHGYSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137192 1106187923 /nfs/dbraw/zinc/18/79/23/1106187923.db2.gz PKCSWQMXRJGYJS-XUJCIHGYSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137192 1106187930 /nfs/dbraw/zinc/18/79/30/1106187930.db2.gz PKCSWQMXRJGYJS-XUJCIHGYSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137192 1106187935 /nfs/dbraw/zinc/18/79/35/1106187935.db2.gz PKCSWQMXRJGYJS-XUJCIHGYSA-N 2 2 312.457 3.045 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC001255136378 1106188310 /nfs/dbraw/zinc/18/83/10/1106188310.db2.gz KFEUBZFYNUYDCX-CVYSASLGSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC001255136378 1106188313 /nfs/dbraw/zinc/18/83/13/1106188313.db2.gz KFEUBZFYNUYDCX-CVYSASLGSA-N 2 2 314.473 3.291 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255143097 1106189127 /nfs/dbraw/zinc/18/91/27/1106189127.db2.gz VSTYKVYQXDJBKP-KJFMYELZSA-N 2 2 324.468 3.378 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255143097 1106189132 /nfs/dbraw/zinc/18/91/32/1106189132.db2.gz VSTYKVYQXDJBKP-KJFMYELZSA-N 2 2 324.468 3.378 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255143097 1106189135 /nfs/dbraw/zinc/18/91/35/1106189135.db2.gz VSTYKVYQXDJBKP-KJFMYELZSA-N 2 2 324.468 3.378 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255143097 1106189138 /nfs/dbraw/zinc/18/91/38/1106189138.db2.gz VSTYKVYQXDJBKP-KJFMYELZSA-N 2 2 324.468 3.378 20 0 DGADLP C[N@H+](Cc1cncnc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150574 1106190434 /nfs/dbraw/zinc/19/04/34/1106190434.db2.gz WJUODVVQJHECJA-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP C[N@@H+](Cc1cncnc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150574 1106190436 /nfs/dbraw/zinc/19/04/36/1106190436.db2.gz WJUODVVQJHECJA-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1cncnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150574 1106190439 /nfs/dbraw/zinc/19/04/39/1106190439.db2.gz WJUODVVQJHECJA-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP C[NH+](Cc1cncnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150574 1106190441 /nfs/dbraw/zinc/19/04/41/1106190441.db2.gz WJUODVVQJHECJA-PMOLBWCYSA-N 2 2 322.456 3.104 20 0 DGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC001255644033 1106284072 /nfs/dbraw/zinc/28/40/72/1106284072.db2.gz WURCFZKXGGRHEQ-GFCCVEGCSA-N 2 2 316.367 3.286 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC001255945892 1106346170 /nfs/dbraw/zinc/34/61/70/1106346170.db2.gz PBISSLZHMPCUHM-LBPRGKRZSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001255956483 1106349777 /nfs/dbraw/zinc/34/97/77/1106349777.db2.gz KKBIAQSMAQHISR-JLSDUUJJSA-N 2 2 300.446 3.019 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001255956483 1106349779 /nfs/dbraw/zinc/34/97/79/1106349779.db2.gz KKBIAQSMAQHISR-JLSDUUJJSA-N 2 2 300.446 3.019 20 0 DGADLP C1=CC[C@H](C[NH+]2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC001256074193 1106365269 /nfs/dbraw/zinc/36/52/69/1106365269.db2.gz OGYXTYYNQYTZCW-KRWDZBQOSA-N 3 2 317.521 3.024 20 0 DGADLP c1ccc([C@H]2CSCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078698 1106366646 /nfs/dbraw/zinc/36/66/46/1106366646.db2.gz CZFXOBIUBIGVSE-GOSISDBHSA-N 2 2 302.487 3.403 20 0 DGADLP c1ccc([C@H]2CSCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078698 1106366651 /nfs/dbraw/zinc/36/66/51/1106366651.db2.gz CZFXOBIUBIGVSE-GOSISDBHSA-N 2 2 302.487 3.403 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+]CC2C[NH+](Cc3ccccc3)C2)c1 ZINC001256145811 1106377232 /nfs/dbraw/zinc/37/72/32/1106377232.db2.gz LLQHYLJXZUVYKA-KRWDZBQOSA-N 2 2 324.468 3.348 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001256147730 1106377899 /nfs/dbraw/zinc/37/78/99/1106377899.db2.gz FXNVUSDPROOPAU-IAGOWNOFSA-N 2 2 304.478 3.336 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001256147726 1106378190 /nfs/dbraw/zinc/37/81/90/1106378190.db2.gz FXNVUSDPROOPAU-DLBZAZTESA-N 2 2 304.478 3.336 20 0 DGADLP COc1cccc(C[C@@H](C)n2c[nH+]c(C)c2CSCC[NH3+])c1 ZINC001256150284 1106378829 /nfs/dbraw/zinc/37/88/29/1106378829.db2.gz YMHADDBQRZFRQB-CYBMUJFWSA-N 2 2 319.474 3.196 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001256152854 1106379728 /nfs/dbraw/zinc/37/97/28/1106379728.db2.gz PQPKYQOWTARLFR-YJBOKZPZSA-N 2 2 302.462 3.090 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001256152854 1106379731 /nfs/dbraw/zinc/37/97/31/1106379731.db2.gz PQPKYQOWTARLFR-YJBOKZPZSA-N 2 2 302.462 3.090 20 0 DGADLP C[NH+]1CCC([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)CC1 ZINC001256204342 1106390322 /nfs/dbraw/zinc/39/03/22/1106390322.db2.gz GUBYGADWIIYOHI-SFHVURJKSA-N 2 2 314.473 3.119 20 0 DGADLP CC(C)CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001256366442 1106411031 /nfs/dbraw/zinc/41/10/31/1106411031.db2.gz XQMUQYKUSGARAE-KURKYZTESA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001256366442 1106411033 /nfs/dbraw/zinc/41/10/33/1106411033.db2.gz XQMUQYKUSGARAE-KURKYZTESA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001256366442 1106411037 /nfs/dbraw/zinc/41/10/37/1106411037.db2.gz XQMUQYKUSGARAE-KURKYZTESA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001256366442 1106411040 /nfs/dbraw/zinc/41/10/40/1106411040.db2.gz XQMUQYKUSGARAE-KURKYZTESA-N 2 2 301.478 3.270 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528091 1106434552 /nfs/dbraw/zinc/43/45/52/1106434552.db2.gz XLKVXHHLUARSDF-QAPCUYQASA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528091 1106434556 /nfs/dbraw/zinc/43/45/56/1106434556.db2.gz XLKVXHHLUARSDF-QAPCUYQASA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538113 1106437755 /nfs/dbraw/zinc/43/77/55/1106437755.db2.gz QXZQPTLNYZESNZ-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538113 1106437758 /nfs/dbraw/zinc/43/77/58/1106437758.db2.gz QXZQPTLNYZESNZ-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538113 1106437763 /nfs/dbraw/zinc/43/77/63/1106437763.db2.gz QXZQPTLNYZESNZ-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538113 1106437765 /nfs/dbraw/zinc/43/77/65/1106437765.db2.gz QXZQPTLNYZESNZ-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCc3cccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561165 1106444596 /nfs/dbraw/zinc/44/45/96/1106444596.db2.gz VXUALAGDCVQMOR-PXNSSMCTSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCc3cccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256561165 1106444598 /nfs/dbraw/zinc/44/45/98/1106444598.db2.gz VXUALAGDCVQMOR-PXNSSMCTSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561165 1106444600 /nfs/dbraw/zinc/44/46/00/1106444600.db2.gz VXUALAGDCVQMOR-PXNSSMCTSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561165 1106444603 /nfs/dbraw/zinc/44/46/03/1106444603.db2.gz VXUALAGDCVQMOR-PXNSSMCTSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC3(CSC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561174 1106445003 /nfs/dbraw/zinc/44/50/03/1106445003.db2.gz VYWPBMUKWGHTJR-DOTOQJQBSA-N 2 2 302.487 3.088 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC3(CSC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561174 1106445006 /nfs/dbraw/zinc/44/50/06/1106445006.db2.gz VYWPBMUKWGHTJR-DOTOQJQBSA-N 2 2 302.487 3.088 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256558063 1106445127 /nfs/dbraw/zinc/44/51/27/1106445127.db2.gz HXRMCAIQHRMYLU-IRXDYDNUSA-N 3 2 309.542 3.207 20 0 DGADLP c1cn2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc2n1 ZINC001256603526 1106452806 /nfs/dbraw/zinc/45/28/06/1106452806.db2.gz AMIUWIIICSFGIN-UHFFFAOYSA-N 2 2 320.440 3.089 20 0 DGADLP CC1(C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@](C)(CO)C1 ZINC001256604859 1106453062 /nfs/dbraw/zinc/45/30/62/1106453062.db2.gz YOIOCIFGKFWHTB-FQEVSTJZSA-N 2 2 316.489 3.134 20 0 DGADLP CC1(C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@](C)(CO)C1 ZINC001256604859 1106453064 /nfs/dbraw/zinc/45/30/64/1106453064.db2.gz YOIOCIFGKFWHTB-FQEVSTJZSA-N 2 2 316.489 3.134 20 0 DGADLP CC[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256610774 1106453654 /nfs/dbraw/zinc/45/36/54/1106453654.db2.gz GVLQLKXPVYUAOP-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP CC[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256610774 1106453658 /nfs/dbraw/zinc/45/36/58/1106453658.db2.gz GVLQLKXPVYUAOP-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP CC(C)[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001256613658 1106454632 /nfs/dbraw/zinc/45/46/32/1106454632.db2.gz RJHQHVWGFRSVQF-LJQANCHMSA-N 2 2 302.462 3.008 20 0 DGADLP CC(C)[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001256613658 1106454636 /nfs/dbraw/zinc/45/46/36/1106454636.db2.gz RJHQHVWGFRSVQF-LJQANCHMSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001256721866 1106473107 /nfs/dbraw/zinc/47/31/07/1106473107.db2.gz XOVJTYLYQCRPNM-XLIONFOSSA-N 2 2 309.457 3.439 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256804531 1106487288 /nfs/dbraw/zinc/48/72/88/1106487288.db2.gz NRRAKVNLICMCGD-QHAWAJNXSA-N 2 2 322.452 3.292 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256804531 1106487289 /nfs/dbraw/zinc/48/72/89/1106487289.db2.gz NRRAKVNLICMCGD-QHAWAJNXSA-N 2 2 322.452 3.292 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256818661 1106489705 /nfs/dbraw/zinc/48/97/05/1106489705.db2.gz XTDOKDHBYCZDDO-RBUKOAKNSA-N 2 2 302.462 3.323 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256818661 1106489707 /nfs/dbraw/zinc/48/97/07/1106489707.db2.gz XTDOKDHBYCZDDO-RBUKOAKNSA-N 2 2 302.462 3.323 20 0 DGADLP CCC1CCC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001256870983 1106501267 /nfs/dbraw/zinc/50/12/67/1106501267.db2.gz DTUUMAVWNBVORE-UHFFFAOYSA-N 2 2 314.433 3.246 20 0 DGADLP CCC1CCC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001256870983 1106501270 /nfs/dbraw/zinc/50/12/70/1106501270.db2.gz DTUUMAVWNBVORE-UHFFFAOYSA-N 2 2 314.433 3.246 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068986 1106533059 /nfs/dbraw/zinc/53/30/59/1106533059.db2.gz QKCYDDROUMSPDT-QAPCUYQASA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068986 1106533062 /nfs/dbraw/zinc/53/30/62/1106533062.db2.gz QKCYDDROUMSPDT-QAPCUYQASA-N 2 2 322.493 3.057 20 0 DGADLP CCC[C@H](CC)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257259759 1106557385 /nfs/dbraw/zinc/55/73/85/1106557385.db2.gz OESUGKWJANZNEH-HNNXBMFYSA-N 2 2 306.498 3.462 20 0 DGADLP CCC[C@H](CC)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257259759 1106557389 /nfs/dbraw/zinc/55/73/89/1106557389.db2.gz OESUGKWJANZNEH-HNNXBMFYSA-N 2 2 306.498 3.462 20 0 DGADLP CCC[C@H](CC)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001257261071 1106558178 /nfs/dbraw/zinc/55/81/78/1106558178.db2.gz UPLZBZOOMVJTFB-IRXDYDNUSA-N 2 2 317.477 3.378 20 0 DGADLP CCCC[C@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257420553 1106585943 /nfs/dbraw/zinc/58/59/43/1106585943.db2.gz NBVVQJNHNMMVDT-AWEZNQCLSA-N 2 2 302.422 3.246 20 0 DGADLP CCCC[C@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257420553 1106585946 /nfs/dbraw/zinc/58/59/46/1106585946.db2.gz NBVVQJNHNMMVDT-AWEZNQCLSA-N 2 2 302.422 3.246 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CO2 ZINC001257959572 1106651524 /nfs/dbraw/zinc/65/15/24/1106651524.db2.gz MQSICEOLONJFDZ-HNNXBMFYSA-N 2 2 313.788 3.081 20 0 DGADLP CC(C)[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC001258148807 1106681166 /nfs/dbraw/zinc/68/11/66/1106681166.db2.gz UBWDIFQAXLJXCN-HXUWFJFHSA-N 2 2 316.489 3.050 20 0 DGADLP CC(C)[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC001258148807 1106681169 /nfs/dbraw/zinc/68/11/69/1106681169.db2.gz UBWDIFQAXLJXCN-HXUWFJFHSA-N 2 2 316.489 3.050 20 0 DGADLP C[C@H]1CC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@H](C)C1 ZINC001258159873 1106683411 /nfs/dbraw/zinc/68/34/11/1106683411.db2.gz NFGYRCCMGUEIHQ-RWQQGDIJSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1CC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@H](C)C1 ZINC001258159873 1106683414 /nfs/dbraw/zinc/68/34/14/1106683414.db2.gz NFGYRCCMGUEIHQ-RWQQGDIJSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1CC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C[C@H](C)C1 ZINC001258159873 1106683418 /nfs/dbraw/zinc/68/34/18/1106683418.db2.gz NFGYRCCMGUEIHQ-RWQQGDIJSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1CC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C[C@H](C)C1 ZINC001258159873 1106683422 /nfs/dbraw/zinc/68/34/22/1106683422.db2.gz NFGYRCCMGUEIHQ-RWQQGDIJSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H](C)C1 ZINC001258165007 1106684078 /nfs/dbraw/zinc/68/40/78/1106684078.db2.gz LKGACWHKVZTSOF-HOTGVXAUSA-N 2 2 316.493 3.119 20 0 DGADLP C[C@@H]1CC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H](C)C1 ZINC001258165007 1106684082 /nfs/dbraw/zinc/68/40/82/1106684082.db2.gz LKGACWHKVZTSOF-HOTGVXAUSA-N 2 2 316.493 3.119 20 0 DGADLP Cc1cc(N2CC[NH+](C3C[C@@H](C)C[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001258175664 1106687722 /nfs/dbraw/zinc/68/77/22/1106687722.db2.gz VWPUNASNOHMZJE-KBPBESRZSA-N 2 2 302.466 3.040 20 0 DGADLP COc1ccc(CC[C@H](C)n2c(C)[nH+]c3c2CC[NH2+]CC3)cc1 ZINC001258400987 1106731290 /nfs/dbraw/zinc/73/12/90/1106731290.db2.gz KYHXRJWHDRKPSR-AWEZNQCLSA-N 2 2 313.445 3.082 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)CC3CC3)CC2)c1 ZINC001258453950 1106753066 /nfs/dbraw/zinc/75/30/66/1106753066.db2.gz HLRODGRSNROKCC-HNNXBMFYSA-N 2 2 302.462 3.438 20 0 DGADLP CCOC(=O)CC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258498665 1106779936 /nfs/dbraw/zinc/77/99/36/1106779936.db2.gz DNQBHSVKQAPTFO-OAHLLOKOSA-N 2 2 310.482 3.057 20 0 DGADLP CCOC(=O)CC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258498665 1106779946 /nfs/dbraw/zinc/77/99/46/1106779946.db2.gz DNQBHSVKQAPTFO-OAHLLOKOSA-N 2 2 310.482 3.057 20 0 DGADLP c1cn(C2CC[NH+](C3CCN(c4ccccc4)CC3)CC2)c[nH+]1 ZINC001258515055 1106791873 /nfs/dbraw/zinc/79/18/73/1106791873.db2.gz DUIKCSIYLRDMRS-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001258709996 1106922607 /nfs/dbraw/zinc/92/26/07/1106922607.db2.gz QETDQHZFHNBBLQ-RBUKOAKNSA-N 2 2 304.478 3.050 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001258709996 1106922612 /nfs/dbraw/zinc/92/26/12/1106922612.db2.gz QETDQHZFHNBBLQ-RBUKOAKNSA-N 2 2 304.478 3.050 20 0 DGADLP C[C@@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)n1cc[nH+]c1 ZINC001320321909 1106960458 /nfs/dbraw/zinc/96/04/58/1106960458.db2.gz ZYPABMPPUGCIOJ-AWEZNQCLSA-N 2 2 323.400 3.138 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001258774163 1106967920 /nfs/dbraw/zinc/96/79/20/1106967920.db2.gz JVNXOPVOQKYEDC-MRXNPFEDSA-N 2 2 324.415 3.292 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001258774163 1106967927 /nfs/dbraw/zinc/96/79/27/1106967927.db2.gz JVNXOPVOQKYEDC-MRXNPFEDSA-N 2 2 324.415 3.292 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258898018 1107046178 /nfs/dbraw/zinc/04/61/78/1107046178.db2.gz FFPQMGHELRCSTM-GOSISDBHSA-N 3 2 317.521 3.219 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258909497 1107055990 /nfs/dbraw/zinc/05/59/90/1107055990.db2.gz FKUREBBQLPCWQU-QGZVFWFLSA-N 3 2 319.493 3.435 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636514 1107081091 /nfs/dbraw/zinc/08/10/91/1107081091.db2.gz IIESSUUCZOKQGD-AWEZNQCLSA-N 2 2 309.885 3.180 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636514 1107081105 /nfs/dbraw/zinc/08/11/05/1107081105.db2.gz IIESSUUCZOKQGD-AWEZNQCLSA-N 2 2 309.885 3.180 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636514 1107081120 /nfs/dbraw/zinc/08/11/20/1107081120.db2.gz IIESSUUCZOKQGD-AWEZNQCLSA-N 2 2 309.885 3.180 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636514 1107081133 /nfs/dbraw/zinc/08/11/33/1107081133.db2.gz IIESSUUCZOKQGD-AWEZNQCLSA-N 2 2 309.885 3.180 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)c[nH+]1 ZINC001320650748 1107089001 /nfs/dbraw/zinc/08/90/01/1107089001.db2.gz NIRFLFLTGNXUQG-UHFFFAOYSA-N 2 2 311.429 3.454 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001261369881 1107418619 /nfs/dbraw/zinc/41/86/19/1107418619.db2.gz QFZFJPAHTOGSHK-AWEZNQCLSA-N 2 2 310.511 3.049 20 0 DGADLP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321894848 1107458235 /nfs/dbraw/zinc/45/82/35/1107458235.db2.gz CQRCFKGLJFWOCK-GXMNPTEKSA-N 2 2 314.433 3.017 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)[nH+]c1C ZINC001262045227 1107591034 /nfs/dbraw/zinc/59/10/34/1107591034.db2.gz JUJGIHBXAUXCHX-INIZCTEOSA-N 2 2 312.417 3.164 20 0 DGADLP C/C(=C(\F)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)C1CC1 ZINC001262155820 1107630427 /nfs/dbraw/zinc/63/04/27/1107630427.db2.gz WPQQLTZQYSBIKF-XNTDXEJSSA-N 2 2 300.337 3.168 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]n1 ZINC001322766640 1107752296 /nfs/dbraw/zinc/75/22/96/1107752296.db2.gz VQSHAYSRLHXGMR-GOSISDBHSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]n1 ZINC001322766640 1107752311 /nfs/dbraw/zinc/75/23/11/1107752311.db2.gz VQSHAYSRLHXGMR-GOSISDBHSA-N 2 2 312.461 3.108 20 0 DGADLP CCCCS[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318500428 1108061349 /nfs/dbraw/zinc/06/13/49/1108061349.db2.gz DVPHIMYWJZFPGW-GFCCVEGCSA-N 2 2 318.446 3.436 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cnc1Cl ZINC001323890022 1108115595 /nfs/dbraw/zinc/11/55/95/1108115595.db2.gz XHQNOTZENLKQSH-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cnc1Cl ZINC001323890022 1108115600 /nfs/dbraw/zinc/11/56/00/1108115600.db2.gz XHQNOTZENLKQSH-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C(C)C)cn1 ZINC001324088196 1108174348 /nfs/dbraw/zinc/17/43/48/1108174348.db2.gz OTSVZFVNXCCRAS-UHFFFAOYSA-N 2 2 321.384 3.346 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccn1C(C)C ZINC001319724482 1108610741 /nfs/dbraw/zinc/61/07/41/1108610741.db2.gz SIDUWTYKLUPLRD-UHFFFAOYSA-N 2 2 309.373 3.210 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000389857711 1108662509 /nfs/dbraw/zinc/66/25/09/1108662509.db2.gz DPZTZXIXOOLUAD-QGZVFWFLSA-N 2 2 310.388 3.254 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000389857711 1108662514 /nfs/dbraw/zinc/66/25/14/1108662514.db2.gz DPZTZXIXOOLUAD-QGZVFWFLSA-N 2 2 310.388 3.254 20 0 DGADLP CCC[N@H+](C[C@@H](O)C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153069 1111385518 /nfs/dbraw/zinc/38/55/18/1111385518.db2.gz DZFIHYKZGRKFAG-HXUWFJFHSA-N 2 2 318.505 3.380 20 0 DGADLP CCC[N@@H+](C[C@@H](O)C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153069 1111385524 /nfs/dbraw/zinc/38/55/24/1111385524.db2.gz DZFIHYKZGRKFAG-HXUWFJFHSA-N 2 2 318.505 3.380 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001308188822 1111393200 /nfs/dbraw/zinc/39/32/00/1111393200.db2.gz MJFPBNXWBUGIBU-OKILXGFUSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001308188822 1111393205 /nfs/dbraw/zinc/39/32/05/1111393205.db2.gz MJFPBNXWBUGIBU-OKILXGFUSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC001308189410 1111393708 /nfs/dbraw/zinc/39/37/08/1111393708.db2.gz VOALUZJMIQZMSF-HUUCEWRRSA-N 2 2 310.869 3.237 20 0 DGADLP c1cc(CNc2cccc(-n3cc[nH+]c3)c2)n(-c2cc[nH+]cc2)n1 ZINC001308324811 1111416430 /nfs/dbraw/zinc/41/64/30/1111416430.db2.gz POLSMZYDLSFQNH-UHFFFAOYSA-N 2 2 316.368 3.065 20 0 DGADLP Cc1cccc2cc(C[NH2+]CCC[NH+]3CCC3)c(Cl)nc12 ZINC001308358931 1111421182 /nfs/dbraw/zinc/42/11/82/1111421182.db2.gz SXKDQABJYXXPOY-UHFFFAOYSA-N 2 2 303.837 3.382 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001308378745 1111423517 /nfs/dbraw/zinc/42/35/17/1111423517.db2.gz OKFWLMCAFYOIMT-AWEZNQCLSA-N 2 2 305.809 3.040 20 0 DGADLP Fc1cccnc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001308745035 1111469368 /nfs/dbraw/zinc/46/93/68/1111469368.db2.gz PIIVLYHZXDEDIR-UHFFFAOYSA-N 2 2 302.397 3.110 20 0 DGADLP CCC[N@H+](C)[C@H](CN[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759432 1111471638 /nfs/dbraw/zinc/47/16/38/1111471638.db2.gz DCJUECRQWMXVIZ-ZWKOTPCHSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[N@@H+](C)[C@H](CN[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759432 1111471641 /nfs/dbraw/zinc/47/16/41/1111471641.db2.gz DCJUECRQWMXVIZ-ZWKOTPCHSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@H](CN[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759432 1111471644 /nfs/dbraw/zinc/47/16/44/1111471644.db2.gz DCJUECRQWMXVIZ-ZWKOTPCHSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@H](CN[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759432 1111471647 /nfs/dbraw/zinc/47/16/47/1111471647.db2.gz DCJUECRQWMXVIZ-ZWKOTPCHSA-N 2 2 323.912 3.407 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001308966780 1111501349 /nfs/dbraw/zinc/50/13/49/1111501349.db2.gz AGDZKHARHURAHX-BBRMVZONSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001308966780 1111501353 /nfs/dbraw/zinc/50/13/53/1111501353.db2.gz AGDZKHARHURAHX-BBRMVZONSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1=CCOCC1 ZINC001308981815 1111504823 /nfs/dbraw/zinc/50/48/23/1111504823.db2.gz NAFGZPVOYNHUBC-UHFFFAOYSA-N 2 2 315.461 3.013 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001308985926 1111506074 /nfs/dbraw/zinc/50/60/74/1111506074.db2.gz BFSMNHQZMHYNOB-ZDUSSCGKSA-N 2 2 322.884 3.437 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[NH+]2CCCCC2)c(C)[nH+]1 ZINC001310835574 1111573170 /nfs/dbraw/zinc/57/31/70/1111573170.db2.gz WGNYLGGKIDIQSY-AWEZNQCLSA-N 2 2 304.438 3.003 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCOCC(F)(F)F)CC1 ZINC001620498010 1193772913 /nfs/dbraw/zinc/77/29/13/1193772913.db2.gz CGHHCHHXEGPRFZ-OAHLLOKOSA-N 2 2 322.415 3.152 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCOCC(F)(F)F)CC1 ZINC001620498010 1193772915 /nfs/dbraw/zinc/77/29/15/1193772915.db2.gz CGHHCHHXEGPRFZ-OAHLLOKOSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129039109 432001949 /nfs/dbraw/zinc/00/19/49/432001949.db2.gz XERGSUGABVCLII-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129039109 432001951 /nfs/dbraw/zinc/00/19/51/432001951.db2.gz XERGSUGABVCLII-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H]3CCSC3)c(C)c2)CC1 ZINC000278462023 214168919 /nfs/dbraw/zinc/16/89/19/214168919.db2.gz XWVRYOWBNLAWAK-INIZCTEOSA-N 2 2 319.518 3.302 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000278502472 214195904 /nfs/dbraw/zinc/19/59/04/214195904.db2.gz VTNMVQNTZDZTPX-UHFFFAOYSA-N 2 2 303.381 3.327 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Cl ZINC000278514414 214204993 /nfs/dbraw/zinc/20/49/93/214204993.db2.gz MJJXIQSFWACOPR-HUUCEWRRSA-N 2 2 310.869 3.492 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1Cl ZINC000278514414 214204995 /nfs/dbraw/zinc/20/49/95/214204995.db2.gz MJJXIQSFWACOPR-HUUCEWRRSA-N 2 2 310.869 3.492 20 0 DGADLP CCc1nc(N2CC[NH+](C/C=C\c3ccccc3)CC2)cc(C)[nH+]1 ZINC000096865072 185390025 /nfs/dbraw/zinc/39/00/25/185390025.db2.gz DYVSVBZEMLHALD-YFHOEESVSA-N 2 2 322.456 3.183 20 0 DGADLP C[C@H](C[NH2+]Cc1c(F)ccc(Br)c1F)C[NH+](C)C ZINC000310728219 231114091 /nfs/dbraw/zinc/11/40/91/231114091.db2.gz CSJQNCAQELCSQE-SECBINFHSA-N 2 2 321.209 3.015 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000318786865 231175267 /nfs/dbraw/zinc/17/52/67/231175267.db2.gz RTJQIBOLOYEZNA-HNNXBMFYSA-N 2 2 304.482 3.128 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000318786865 231175271 /nfs/dbraw/zinc/17/52/71/231175271.db2.gz RTJQIBOLOYEZNA-HNNXBMFYSA-N 2 2 304.482 3.128 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000324586256 231225616 /nfs/dbraw/zinc/22/56/16/231225616.db2.gz YMFGOMBMSUZCSV-UHFFFAOYSA-N 2 2 313.376 3.282 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000302059706 529534954 /nfs/dbraw/zinc/53/49/54/529534954.db2.gz SIISJDNPFBDJCZ-HNNXBMFYSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000302059706 529534955 /nfs/dbraw/zinc/53/49/55/529534955.db2.gz SIISJDNPFBDJCZ-HNNXBMFYSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000302045557 529557512 /nfs/dbraw/zinc/55/75/12/529557512.db2.gz KIAYJPKWHGXJTK-LBPRGKRZSA-N 2 2 316.474 3.268 20 0 DGADLP CCc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000302045557 529557514 /nfs/dbraw/zinc/55/75/14/529557514.db2.gz KIAYJPKWHGXJTK-LBPRGKRZSA-N 2 2 316.474 3.268 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000415062213 529610618 /nfs/dbraw/zinc/61/06/18/529610618.db2.gz DVUAJDCCJJIVGX-BEFAXECRSA-N 2 2 304.478 3.291 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000415067862 529610978 /nfs/dbraw/zinc/61/09/78/529610978.db2.gz QEHOALZBIONOKL-INIZCTEOSA-N 2 2 300.450 3.059 20 0 DGADLP Cc1csc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000088602585 185259781 /nfs/dbraw/zinc/25/97/81/185259781.db2.gz PDNCEGPNUWYSMY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1csc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000088602585 185259782 /nfs/dbraw/zinc/25/97/82/185259782.db2.gz PDNCEGPNUWYSMY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1csc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000088602585 185259783 /nfs/dbraw/zinc/25/97/83/185259783.db2.gz PDNCEGPNUWYSMY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1csc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000088602585 185259784 /nfs/dbraw/zinc/25/97/84/185259784.db2.gz PDNCEGPNUWYSMY-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423497210 529616904 /nfs/dbraw/zinc/61/69/04/529616904.db2.gz GFTWSHPBRRINTH-IJXRJRJASA-N 2 2 316.489 3.434 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000090403280 185294588 /nfs/dbraw/zinc/29/45/88/185294588.db2.gz OPTPZRLOGIMHAS-CYBMUJFWSA-N 2 2 316.474 3.162 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401695 185294610 /nfs/dbraw/zinc/29/46/10/185294610.db2.gz NOVWRQLCDXETQW-NFAWXSAZSA-N 2 2 316.474 3.023 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401695 185294611 /nfs/dbraw/zinc/29/46/11/185294611.db2.gz NOVWRQLCDXETQW-NFAWXSAZSA-N 2 2 316.474 3.023 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272827792 210226900 /nfs/dbraw/zinc/22/69/00/210226900.db2.gz PNAHKUJQZRBSFN-NQIIRXRSSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827792 210226901 /nfs/dbraw/zinc/22/69/01/210226901.db2.gz PNAHKUJQZRBSFN-NQIIRXRSSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000290605200 282244296 /nfs/dbraw/zinc/24/42/96/282244296.db2.gz WEQNJCOQVQRPSH-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290605200 282244298 /nfs/dbraw/zinc/24/42/98/282244298.db2.gz WEQNJCOQVQRPSH-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000290605200 282244301 /nfs/dbraw/zinc/24/43/01/282244301.db2.gz WEQNJCOQVQRPSH-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000290605200 282244302 /nfs/dbraw/zinc/24/43/02/282244302.db2.gz WEQNJCOQVQRPSH-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP CCc1ccc([C@@H](CNCc2c[nH+]cn2C)[NH+](CC)CC)cc1 ZINC000292631518 529709087 /nfs/dbraw/zinc/70/90/87/529709087.db2.gz JORSBKQUFLVHCC-LJQANCHMSA-N 2 2 314.477 3.155 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000129704268 432007955 /nfs/dbraw/zinc/00/79/55/432007955.db2.gz ISXAGGOOFUKEAZ-HZMBPMFUSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000129704268 432007958 /nfs/dbraw/zinc/00/79/58/432007958.db2.gz ISXAGGOOFUKEAZ-HZMBPMFUSA-N 2 2 315.230 3.018 20 0 DGADLP C[N@H+](CCc1cccc2ccccc21)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070847 529933934 /nfs/dbraw/zinc/93/39/34/529933934.db2.gz RSMYEASXHIVDLG-UHFFFAOYSA-N 2 2 324.428 3.091 20 0 DGADLP C[N@@H+](CCc1cccc2ccccc21)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070847 529933935 /nfs/dbraw/zinc/93/39/35/529933935.db2.gz RSMYEASXHIVDLG-UHFFFAOYSA-N 2 2 324.428 3.091 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000430612191 530001677 /nfs/dbraw/zinc/00/16/77/530001677.db2.gz RCFJHPNGUZPHGQ-CYBMUJFWSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000430612191 530001678 /nfs/dbraw/zinc/00/16/78/530001678.db2.gz RCFJHPNGUZPHGQ-CYBMUJFWSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000430946973 530005281 /nfs/dbraw/zinc/00/52/81/530005281.db2.gz YQLAPAOPVVWFEY-CYBMUJFWSA-N 2 2 319.836 3.345 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000430946973 530005282 /nfs/dbraw/zinc/00/52/82/530005282.db2.gz YQLAPAOPVVWFEY-CYBMUJFWSA-N 2 2 319.836 3.345 20 0 DGADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c2ccc(Br)cc21 ZINC000428119535 530026370 /nfs/dbraw/zinc/02/63/70/530026370.db2.gz DCIFBJXJLSCDEK-UHFFFAOYSA-N 2 2 317.190 3.357 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3[C@H](C)CCC[C@@H]3C)c2cc1C ZINC000066531790 432017128 /nfs/dbraw/zinc/01/71/28/432017128.db2.gz FIKJLPSVCBEANJ-BBWFWOEESA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)c2cc1C ZINC000066531790 432017130 /nfs/dbraw/zinc/01/71/30/432017130.db2.gz FIKJLPSVCBEANJ-BBWFWOEESA-N 2 2 315.461 3.277 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661886 210066842 /nfs/dbraw/zinc/06/68/42/210066842.db2.gz RNYDFJJJINZRNM-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661886 210066844 /nfs/dbraw/zinc/06/68/44/210066844.db2.gz RNYDFJJJINZRNM-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661886 210066848 /nfs/dbraw/zinc/06/68/48/210066848.db2.gz RNYDFJJJINZRNM-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC(C)C ZINC000272661886 210066850 /nfs/dbraw/zinc/06/68/50/210066850.db2.gz RNYDFJJJINZRNM-IRXDYDNUSA-N 2 2 318.461 3.008 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000279965360 215275931 /nfs/dbraw/zinc/27/59/31/215275931.db2.gz PJYNQRSNCHVJSY-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccs2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000152445975 186074214 /nfs/dbraw/zinc/07/42/14/186074214.db2.gz KWMSEXCRZFFGTJ-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1coc(-c2cccs2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000152445975 186074217 /nfs/dbraw/zinc/07/42/17/186074217.db2.gz KWMSEXCRZFFGTJ-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1coc(-c2cccs2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000152445975 186074218 /nfs/dbraw/zinc/07/42/18/186074218.db2.gz KWMSEXCRZFFGTJ-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1coc(-c2cccs2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152445975 186074220 /nfs/dbraw/zinc/07/42/20/186074220.db2.gz KWMSEXCRZFFGTJ-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP CC[C@@H](C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000163935909 186142724 /nfs/dbraw/zinc/14/27/24/186142724.db2.gz YZPUHGUGSPRXBM-RDTXWAMCSA-N 2 2 324.896 3.301 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C(C)(C)O1 ZINC000268745783 186376630 /nfs/dbraw/zinc/37/66/30/186376630.db2.gz FLJFNTDUSJTAFE-QGZVFWFLSA-N 2 2 313.445 3.367 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749424 186377608 /nfs/dbraw/zinc/37/76/08/186377608.db2.gz UBVJJARZFAWXQI-PKOBYXMFSA-N 3 2 317.521 3.074 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000268749424 186377610 /nfs/dbraw/zinc/37/76/10/186377610.db2.gz UBVJJARZFAWXQI-PKOBYXMFSA-N 3 2 317.521 3.074 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268756449 186380576 /nfs/dbraw/zinc/38/05/76/186380576.db2.gz XSEPQYLUYBNFTO-IEBWSBKVSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756449 186380578 /nfs/dbraw/zinc/38/05/78/186380578.db2.gz XSEPQYLUYBNFTO-IEBWSBKVSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000269581072 186390668 /nfs/dbraw/zinc/39/06/68/186390668.db2.gz PXTAJVQQVOFQCT-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000269581072 186390670 /nfs/dbraw/zinc/39/06/70/186390670.db2.gz PXTAJVQQVOFQCT-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H]([NH+](C)C)CC1 ZINC000277256304 213398803 /nfs/dbraw/zinc/39/88/03/213398803.db2.gz WIFDADGCMSWHQT-HNNXBMFYSA-N 2 2 313.445 3.472 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000277205708 213366898 /nfs/dbraw/zinc/36/68/98/213366898.db2.gz MVXYYYORZDVDSL-UHFFFAOYSA-N 2 2 302.422 3.223 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000277205708 213366900 /nfs/dbraw/zinc/36/69/00/213366900.db2.gz MVXYYYORZDVDSL-UHFFFAOYSA-N 2 2 302.422 3.223 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000107286063 432029890 /nfs/dbraw/zinc/02/98/90/432029890.db2.gz LKOTXAXYPUDFLZ-KRWDZBQOSA-N 2 2 309.413 3.241 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000107286063 432029892 /nfs/dbraw/zinc/02/98/92/432029892.db2.gz LKOTXAXYPUDFLZ-KRWDZBQOSA-N 2 2 309.413 3.241 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)cc2)C1 ZINC000072857738 191240354 /nfs/dbraw/zinc/24/03/54/191240354.db2.gz RYCCGTDNQVCDLQ-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)cc2)C1 ZINC000072857738 191240357 /nfs/dbraw/zinc/24/03/57/191240357.db2.gz RYCCGTDNQVCDLQ-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000072857738 191240360 /nfs/dbraw/zinc/24/03/60/191240360.db2.gz RYCCGTDNQVCDLQ-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000072857738 191240362 /nfs/dbraw/zinc/24/03/62/191240362.db2.gz RYCCGTDNQVCDLQ-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277140429 213322222 /nfs/dbraw/zinc/32/22/22/213322222.db2.gz IZZSLGDCHAKMGC-SFHVURJKSA-N 2 2 317.477 3.165 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277140429 213322225 /nfs/dbraw/zinc/32/22/25/213322225.db2.gz IZZSLGDCHAKMGC-SFHVURJKSA-N 2 2 317.477 3.165 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CS1 ZINC000277087948 213284184 /nfs/dbraw/zinc/28/41/84/213284184.db2.gz GDQMKHZSCSTVMW-QZTJIDSGSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000131544071 432039913 /nfs/dbraw/zinc/03/99/13/432039913.db2.gz VIDHTTDNUBVXBK-YYWHXJBOSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000131544071 432039917 /nfs/dbraw/zinc/03/99/17/432039917.db2.gz VIDHTTDNUBVXBK-YYWHXJBOSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)OCCO2 ZINC000163829486 432043831 /nfs/dbraw/zinc/04/38/31/432043831.db2.gz YAMOMNJNDAJCLH-CQSZACIVSA-N 2 2 313.401 3.006 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc4ccccc4n3)CC2)c1 ZINC000166210008 432059895 /nfs/dbraw/zinc/05/98/95/432059895.db2.gz WVGRAENDECYLTN-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167399426 432065989 /nfs/dbraw/zinc/06/59/89/432065989.db2.gz MRYMGIBHBBHYLF-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167399426 432065991 /nfs/dbraw/zinc/06/59/91/432065991.db2.gz MRYMGIBHBBHYLF-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP Cc1ccc(Cc2noc([C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)n2)c[nH+]1 ZINC000276852914 213133669 /nfs/dbraw/zinc/13/36/69/213133669.db2.gz BIVDVVWWYRJKSK-IHRRRGAJSA-N 2 2 300.406 3.298 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654505 432069859 /nfs/dbraw/zinc/06/98/59/432069859.db2.gz LPWIFJHQXWUBBI-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654505 432069862 /nfs/dbraw/zinc/06/98/62/432069862.db2.gz LPWIFJHQXWUBBI-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP [NH3+][C@@H]1[C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@@H]2CC[C@H]1C2 ZINC000168865216 432070693 /nfs/dbraw/zinc/07/06/93/432070693.db2.gz MXJSAEBBGXDRFH-OBQMCUGOSA-N 2 2 323.396 3.186 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ncc(Br)s1 ZINC000179188485 198996718 /nfs/dbraw/zinc/99/67/18/198996718.db2.gz BAGLXRNSVQYXJY-SECBINFHSA-N 2 2 320.300 3.144 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180206554 199130135 /nfs/dbraw/zinc/13/01/35/199130135.db2.gz FICUKOYTVROGPM-XLIONFOSSA-N 2 2 309.457 3.493 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180206554 199130137 /nfs/dbraw/zinc/13/01/37/199130137.db2.gz FICUKOYTVROGPM-XLIONFOSSA-N 2 2 309.457 3.493 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180206574 199130477 /nfs/dbraw/zinc/13/04/77/199130477.db2.gz FICUKOYTVROGPM-PXNSSMCTSA-N 2 2 309.457 3.493 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180206574 199130478 /nfs/dbraw/zinc/13/04/78/199130478.db2.gz FICUKOYTVROGPM-PXNSSMCTSA-N 2 2 309.457 3.493 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000180156929 199123800 /nfs/dbraw/zinc/12/38/00/199123800.db2.gz GCWJHZRCJRFEDS-UHFFFAOYSA-N 2 2 300.368 3.236 20 0 DGADLP CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180481116 199164309 /nfs/dbraw/zinc/16/43/09/199164309.db2.gz OSNKOKMUGKDFJV-SFHVURJKSA-N 2 2 309.413 3.107 20 0 DGADLP CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180481116 199164310 /nfs/dbraw/zinc/16/43/10/199164310.db2.gz OSNKOKMUGKDFJV-SFHVURJKSA-N 2 2 309.413 3.107 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000237415104 202259005 /nfs/dbraw/zinc/25/90/05/202259005.db2.gz IJRFRRWCVJBXSO-SFHVURJKSA-N 2 2 324.468 3.412 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000181106789 199254108 /nfs/dbraw/zinc/25/41/08/199254108.db2.gz MSDIBUBHPSAFQA-SUNKGSAMSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000181106789 199254109 /nfs/dbraw/zinc/25/41/09/199254109.db2.gz MSDIBUBHPSAFQA-SUNKGSAMSA-N 2 2 317.260 3.099 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415052192 237036034 /nfs/dbraw/zinc/03/60/34/237036034.db2.gz MRZJLHYDVQWGOY-DLBZAZTESA-N 2 2 318.367 3.133 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cccc4c3CCCN4)n2c1 ZINC000415042277 237028085 /nfs/dbraw/zinc/02/80/85/237028085.db2.gz UTZZSGSPQJXIDC-UHFFFAOYSA-N 2 2 306.413 3.291 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000415043228 237030049 /nfs/dbraw/zinc/03/00/49/237030049.db2.gz ANWYIGSRDVIFIN-GFCCVEGCSA-N 2 2 317.296 3.426 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415042963 237030379 /nfs/dbraw/zinc/03/03/79/237030379.db2.gz QZDWWDNEXJHWPV-MRXNPFEDSA-N 2 2 318.852 3.064 20 0 DGADLP Clc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)s1 ZINC000415096144 237075379 /nfs/dbraw/zinc/07/53/79/237075379.db2.gz OZJLHZXVSQJUJG-GFCCVEGCSA-N 2 2 322.861 3.147 20 0 DGADLP FC(F)(F)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000415080708 237062097 /nfs/dbraw/zinc/06/20/97/237062097.db2.gz JWDJQIHPBVZPLG-GARJFASQSA-N 2 2 319.396 3.172 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccccc1F ZINC000415125054 237096343 /nfs/dbraw/zinc/09/63/43/237096343.db2.gz NMPYCCULJXGXOX-TXJVSEOTSA-N 2 2 310.416 3.356 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccccc1F ZINC000415125054 237096351 /nfs/dbraw/zinc/09/63/51/237096351.db2.gz NMPYCCULJXGXOX-TXJVSEOTSA-N 2 2 310.416 3.356 20 0 DGADLP Fc1ccc([C@@H](NCCC[NH+]2CCCCC2)c2[nH]cc[nH+]2)cc1 ZINC000187709984 200148046 /nfs/dbraw/zinc/14/80/46/200148046.db2.gz BRONZHVVPRIHQL-QGZVFWFLSA-N 2 2 316.424 3.104 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000188092581 200192206 /nfs/dbraw/zinc/19/22/06/200192206.db2.gz RSOUEMYYMIMQOZ-CYBMUJFWSA-N 2 2 322.250 3.257 20 0 DGADLP Cc1noc(C)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237608783 202301579 /nfs/dbraw/zinc/30/15/79/202301579.db2.gz UAKLLJHBXWLQTP-UHFFFAOYSA-N 2 2 313.445 3.088 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ncccc1C(F)(F)F)C1CCCCC1 ZINC000414852436 283495173 /nfs/dbraw/zinc/49/51/73/283495173.db2.gz RCMWLKAOSUATPB-ZDUSSCGKSA-N 2 2 301.356 3.098 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000237906673 202386248 /nfs/dbraw/zinc/38/62/48/202386248.db2.gz NRJCTXRCTQEHON-UONOGXRCSA-N 2 2 311.385 3.330 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000420409764 237700625 /nfs/dbraw/zinc/70/06/25/237700625.db2.gz QUKGCJQWDGMBCW-SNPRPXQTSA-N 2 2 314.433 3.023 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000420409764 237700626 /nfs/dbraw/zinc/70/06/26/237700626.db2.gz QUKGCJQWDGMBCW-SNPRPXQTSA-N 2 2 314.433 3.023 20 0 DGADLP Cc1nc(N2CCC[N@@H+](C3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000180437799 432086903 /nfs/dbraw/zinc/08/69/03/432086903.db2.gz LZWPXQYBHXVDBJ-UHFFFAOYSA-N 2 2 314.477 3.119 20 0 DGADLP Cc1nc(N2CCC[N@H+](C3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000180437799 432086904 /nfs/dbraw/zinc/08/69/04/432086904.db2.gz LZWPXQYBHXVDBJ-UHFFFAOYSA-N 2 2 314.477 3.119 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134879711 432087990 /nfs/dbraw/zinc/08/79/90/432087990.db2.gz WQQUQHLASLAMHZ-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134879711 432087992 /nfs/dbraw/zinc/08/79/92/432087992.db2.gz WQQUQHLASLAMHZ-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134879711 432087995 /nfs/dbraw/zinc/08/79/95/432087995.db2.gz WQQUQHLASLAMHZ-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000134879711 432087996 /nfs/dbraw/zinc/08/79/96/432087996.db2.gz WQQUQHLASLAMHZ-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423077365 237822346 /nfs/dbraw/zinc/82/23/46/237822346.db2.gz LVTZIRDULVESJC-FUMNGEBKSA-N 2 2 314.473 3.069 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2(SC)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080621 237822967 /nfs/dbraw/zinc/82/29/67/237822967.db2.gz BXWJEJWQIUKTMU-DLBZAZTESA-N 2 2 320.502 3.364 20 0 DGADLP COC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(Cl)c1F ZINC000423183923 237830383 /nfs/dbraw/zinc/83/03/83/237830383.db2.gz SLFCVQNDRZNUBO-AWEZNQCLSA-N 2 2 314.832 3.418 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)CCC[NH2+]1 ZINC000423442510 237850020 /nfs/dbraw/zinc/85/00/20/237850020.db2.gz WRWXZDLHNZIOAQ-ABAIWWIYSA-N 2 2 317.260 3.413 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@H](C)C1 ZINC000281169389 216126670 /nfs/dbraw/zinc/12/66/70/216126670.db2.gz QLFNXTFYTITGGA-RNCFNFMXSA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@H](C)C1 ZINC000281169389 216126672 /nfs/dbraw/zinc/12/66/72/216126672.db2.gz QLFNXTFYTITGGA-RNCFNFMXSA-N 2 2 304.331 3.063 20 0 DGADLP Fc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000134899311 432089206 /nfs/dbraw/zinc/08/92/06/432089206.db2.gz HIHAETWFMVOHGW-DYVFJYSZSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000134899311 432089208 /nfs/dbraw/zinc/08/92/08/432089208.db2.gz HIHAETWFMVOHGW-DYVFJYSZSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000134899311 432089211 /nfs/dbraw/zinc/08/92/11/432089211.db2.gz HIHAETWFMVOHGW-DYVFJYSZSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000134899311 432089213 /nfs/dbraw/zinc/08/92/13/432089213.db2.gz HIHAETWFMVOHGW-DYVFJYSZSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429368353 238049776 /nfs/dbraw/zinc/04/97/76/238049776.db2.gz PPMDDSCJUBCONI-KRWDZBQOSA-N 2 2 324.472 3.179 20 0 DGADLP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+](C2CCC2)C1 ZINC000429368353 238049777 /nfs/dbraw/zinc/04/97/77/238049777.db2.gz PPMDDSCJUBCONI-KRWDZBQOSA-N 2 2 324.472 3.179 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000429537995 238053903 /nfs/dbraw/zinc/05/39/03/238053903.db2.gz IGCYNQDKNFYYHG-MRXNPFEDSA-N 2 2 305.466 3.175 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000429537995 238053904 /nfs/dbraw/zinc/05/39/04/238053904.db2.gz IGCYNQDKNFYYHG-MRXNPFEDSA-N 2 2 305.466 3.175 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000430552387 238079303 /nfs/dbraw/zinc/07/93/03/238079303.db2.gz BDMMZSJKPJUSRH-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000430552387 238079304 /nfs/dbraw/zinc/07/93/04/238079304.db2.gz BDMMZSJKPJUSRH-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560020 238079781 /nfs/dbraw/zinc/07/97/81/238079781.db2.gz YKHYSMDLJBGBOR-JSGCOSHPSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560020 238079782 /nfs/dbraw/zinc/07/97/82/238079782.db2.gz YKHYSMDLJBGBOR-JSGCOSHPSA-N 2 2 303.381 3.040 20 0 DGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430576458 238080115 /nfs/dbraw/zinc/08/01/15/238080115.db2.gz XIWVNIDVDYHHQO-KGLIPLIRSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430576458 238080116 /nfs/dbraw/zinc/08/01/16/238080116.db2.gz XIWVNIDVDYHHQO-KGLIPLIRSA-N 2 2 323.506 3.041 20 0 DGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])n2)cc1F ZINC000430585846 238080739 /nfs/dbraw/zinc/08/07/39/238080739.db2.gz RMQJFIDJVKTTFM-GFCCVEGCSA-N 2 2 320.412 3.162 20 0 DGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])n2)cc1F ZINC000430585846 238080740 /nfs/dbraw/zinc/08/07/40/238080740.db2.gz RMQJFIDJVKTTFM-GFCCVEGCSA-N 2 2 320.412 3.162 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430606942 238081203 /nfs/dbraw/zinc/08/12/03/238081203.db2.gz XUOJCMYCCRKNGX-AWEZNQCLSA-N 2 2 316.474 3.366 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430606942 238081204 /nfs/dbraw/zinc/08/12/04/238081204.db2.gz XUOJCMYCCRKNGX-AWEZNQCLSA-N 2 2 316.474 3.366 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430626481 238082153 /nfs/dbraw/zinc/08/21/53/238082153.db2.gz LCWSVCFGCKZNMT-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430626481 238082154 /nfs/dbraw/zinc/08/21/54/238082154.db2.gz LCWSVCFGCKZNMT-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430742726 238085490 /nfs/dbraw/zinc/08/54/90/238085490.db2.gz MXXAIJPMIIMCGV-BFYDXBDKSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430742726 238085491 /nfs/dbraw/zinc/08/54/91/238085491.db2.gz MXXAIJPMIIMCGV-BFYDXBDKSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccccc3F)n2)CC[C@@H]1[NH3+] ZINC000430957778 238090850 /nfs/dbraw/zinc/09/08/50/238090850.db2.gz UMKYSDPKOUWOIP-ABAIWWIYSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@@H]1[NH3+] ZINC000430957778 238090852 /nfs/dbraw/zinc/09/08/52/238090852.db2.gz UMKYSDPKOUWOIP-ABAIWWIYSA-N 2 2 305.422 3.118 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC(CCC[NH+](C)C)CC1 ZINC000431410787 238101755 /nfs/dbraw/zinc/10/17/55/238101755.db2.gz SSRJJZUPBPJRBP-UHFFFAOYSA-N 2 2 318.440 3.271 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000432751788 238135061 /nfs/dbraw/zinc/13/50/61/238135061.db2.gz DQHDHWVPGZTXLO-CYBMUJFWSA-N 2 2 319.449 3.353 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000432751788 238135062 /nfs/dbraw/zinc/13/50/62/238135062.db2.gz DQHDHWVPGZTXLO-CYBMUJFWSA-N 2 2 319.449 3.353 20 0 DGADLP Oc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000433038543 238143822 /nfs/dbraw/zinc/14/38/22/238143822.db2.gz KLKHDGRJWHDMKJ-RTBURBONSA-N 2 2 322.452 3.114 20 0 DGADLP Oc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000433038543 238143823 /nfs/dbraw/zinc/14/38/23/238143823.db2.gz KLKHDGRJWHDMKJ-RTBURBONSA-N 2 2 322.452 3.114 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CC(C)(C)C3)CC2)c1 ZINC000433156382 238148840 /nfs/dbraw/zinc/14/88/40/238148840.db2.gz IWYYZOQAPKZCHR-UHFFFAOYSA-N 2 2 315.505 3.285 20 0 DGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000434766214 238242206 /nfs/dbraw/zinc/24/22/06/238242206.db2.gz NFAHLJNAUMMODQ-LPHOPBHVSA-N 2 2 316.489 3.433 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000435369884 238296410 /nfs/dbraw/zinc/29/64/10/238296410.db2.gz GJZXSVVFEHHUGC-SFHVURJKSA-N 2 2 311.429 3.070 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000435369884 238296418 /nfs/dbraw/zinc/29/64/18/238296418.db2.gz GJZXSVVFEHHUGC-SFHVURJKSA-N 2 2 311.429 3.070 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH+]c2cccc(C)n12 ZINC000436030910 238385780 /nfs/dbraw/zinc/38/57/80/238385780.db2.gz WSUIVXCNETZOFI-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP Cc1nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc[nH+]1 ZINC000292602612 223167187 /nfs/dbraw/zinc/16/71/87/223167187.db2.gz CATUNQWHWUYBBF-UHFFFAOYSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cs2)cc1 ZINC000193637076 201092420 /nfs/dbraw/zinc/09/24/20/201092420.db2.gz VIXDPRPFDYLZNT-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cs2)cc1 ZINC000193637076 201092425 /nfs/dbraw/zinc/09/24/25/201092425.db2.gz VIXDPRPFDYLZNT-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cs2)cc1 ZINC000193637076 201092429 /nfs/dbraw/zinc/09/24/29/201092429.db2.gz VIXDPRPFDYLZNT-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cs2)cc1 ZINC000193637076 201092431 /nfs/dbraw/zinc/09/24/31/201092431.db2.gz VIXDPRPFDYLZNT-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000193989821 201157735 /nfs/dbraw/zinc/15/77/35/201157735.db2.gz IHHQLAZKWAEBQG-GUDVDZBRSA-N 2 2 314.473 3.056 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000193989821 201157738 /nfs/dbraw/zinc/15/77/38/201157738.db2.gz IHHQLAZKWAEBQG-GUDVDZBRSA-N 2 2 314.473 3.056 20 0 DGADLP c1coc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)c1 ZINC000194409931 201221017 /nfs/dbraw/zinc/22/10/17/201221017.db2.gz KRNQIEHYIJMPNN-AWEZNQCLSA-N 2 2 317.458 3.321 20 0 DGADLP c1coc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)s2)c1 ZINC000194409931 201221020 /nfs/dbraw/zinc/22/10/20/201221020.db2.gz KRNQIEHYIJMPNN-AWEZNQCLSA-N 2 2 317.458 3.321 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759141 239120047 /nfs/dbraw/zinc/12/00/47/239120047.db2.gz KISMGJLJGZBIAT-WOPDTQHZSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759141 239120053 /nfs/dbraw/zinc/12/00/53/239120053.db2.gz KISMGJLJGZBIAT-WOPDTQHZSA-N 2 2 308.376 3.162 20 0 DGADLP CCn1cc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000194978182 201319998 /nfs/dbraw/zinc/31/99/98/201319998.db2.gz BUNYDURXDFVZAC-INIZCTEOSA-N 2 2 300.450 3.076 20 0 DGADLP CCn1cc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000194978182 201320000 /nfs/dbraw/zinc/32/00/00/201320000.db2.gz BUNYDURXDFVZAC-INIZCTEOSA-N 2 2 300.450 3.076 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)CCn1cccn1)[NH+](C)C ZINC000443214443 239182772 /nfs/dbraw/zinc/18/27/72/239182772.db2.gz KWOXVNWLVNNVTO-LMMKCTJWSA-N 2 2 314.477 3.251 20 0 DGADLP C[C@H]1CCC[N@H+](CCCCNc2[nH+]c3cccc(F)c3n2C)C1 ZINC000443522609 239207572 /nfs/dbraw/zinc/20/75/72/239207572.db2.gz ZSUURSCXADKXKS-AWEZNQCLSA-N 2 2 318.440 3.058 20 0 DGADLP C[C@H]1CCC[N@@H+](CCCCNc2[nH+]c3cccc(F)c3n2C)C1 ZINC000443522609 239207573 /nfs/dbraw/zinc/20/75/73/239207573.db2.gz ZSUURSCXADKXKS-AWEZNQCLSA-N 2 2 318.440 3.058 20 0 DGADLP Cc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000443961086 239242295 /nfs/dbraw/zinc/24/22/95/239242295.db2.gz FEBOTYKVSAKCPI-GJZGRUSLSA-N 2 2 310.869 3.237 20 0 DGADLP FC(F)(F)c1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000443988445 239246021 /nfs/dbraw/zinc/24/60/21/239246021.db2.gz OJCXRBFFFOPGET-UHFFFAOYSA-N 2 2 319.396 3.126 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449102607 240017822 /nfs/dbraw/zinc/01/78/22/240017822.db2.gz ZTWVEPHKPKXESF-UHFFFAOYSA-N 2 2 304.482 3.352 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107526 240019750 /nfs/dbraw/zinc/01/97/50/240019750.db2.gz QEOJEBSYQUHWMI-BXUZGUMPSA-N 2 2 312.379 3.413 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107526 240019752 /nfs/dbraw/zinc/01/97/52/240019752.db2.gz QEOJEBSYQUHWMI-BXUZGUMPSA-N 2 2 312.379 3.413 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000449089802 240012693 /nfs/dbraw/zinc/01/26/93/240012693.db2.gz LMNGQINXOFSMHN-SUMWQHHRSA-N 2 2 308.466 3.131 20 0 DGADLP c1cc(C[NH2+][C@H]2CCCC23CCC3)cc(C[NH+]2CCOCC2)c1 ZINC000449090748 240012941 /nfs/dbraw/zinc/01/29/41/240012941.db2.gz NUYTUAGQTDEBMC-IBGZPJMESA-N 2 2 314.473 3.331 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc2ccccc21 ZINC000449196096 240062450 /nfs/dbraw/zinc/06/24/50/240062450.db2.gz RMEFFDYCAUZAHG-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc2ccccc21 ZINC000449196096 240062458 /nfs/dbraw/zinc/06/24/58/240062458.db2.gz RMEFFDYCAUZAHG-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449201309 240063984 /nfs/dbraw/zinc/06/39/84/240063984.db2.gz CZDBMDWGELMMCP-UHFFFAOYSA-N 2 2 312.413 3.274 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000449228016 240079894 /nfs/dbraw/zinc/07/98/94/240079894.db2.gz RLXLTJULZPJUFC-SJLPKXTDSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000449228016 240079897 /nfs/dbraw/zinc/07/98/97/240079897.db2.gz RLXLTJULZPJUFC-SJLPKXTDSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000449228016 240079901 /nfs/dbraw/zinc/07/99/01/240079901.db2.gz RLXLTJULZPJUFC-SJLPKXTDSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000449228016 240079904 /nfs/dbraw/zinc/07/99/04/240079904.db2.gz RLXLTJULZPJUFC-SJLPKXTDSA-N 2 2 302.462 3.247 20 0 DGADLP Cc1ccccc1CC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000449379222 240165299 /nfs/dbraw/zinc/16/52/99/240165299.db2.gz HMLZLWWCWFHNCG-UHFFFAOYSA-N 2 2 303.475 3.188 20 0 DGADLP Cc1ccccc1CC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000449379222 240165303 /nfs/dbraw/zinc/16/53/03/240165303.db2.gz HMLZLWWCWFHNCG-UHFFFAOYSA-N 2 2 303.475 3.188 20 0 DGADLP CC[C@H](COCC(F)(F)F)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449381014 240165531 /nfs/dbraw/zinc/16/55/31/240165531.db2.gz QBXILYVXDIRDCM-CQSZACIVSA-N 2 2 304.356 3.270 20 0 DGADLP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449380904 240166729 /nfs/dbraw/zinc/16/67/29/240166729.db2.gz XHZWZRBUVTXOIH-INIZCTEOSA-N 2 2 323.431 3.461 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccnc(C(F)(F)F)c3)n2c1 ZINC000449436502 240203957 /nfs/dbraw/zinc/20/39/57/240203957.db2.gz GBMBZYHKNLZWNX-UHFFFAOYSA-N 2 2 320.318 3.346 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449451533 240211229 /nfs/dbraw/zinc/21/12/29/240211229.db2.gz RIFQTTCZLYMJDE-SOLBZPMBSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449451533 240211233 /nfs/dbraw/zinc/21/12/33/240211233.db2.gz RIFQTTCZLYMJDE-SOLBZPMBSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)C1C[NH2+]C1 ZINC000422892004 299352724 /nfs/dbraw/zinc/35/27/24/299352724.db2.gz XHXDJPDYBSNUTK-SJCJKPOMSA-N 2 2 301.821 3.022 20 0 DGADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1OC(C)C ZINC000449555278 240285049 /nfs/dbraw/zinc/28/50/49/240285049.db2.gz HALHIRGUQXKGNH-ALOPSCKCSA-N 2 2 318.461 3.197 20 0 DGADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC(C)C ZINC000449555278 240285054 /nfs/dbraw/zinc/28/50/54/240285054.db2.gz HALHIRGUQXKGNH-ALOPSCKCSA-N 2 2 318.461 3.197 20 0 DGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449555538 240285099 /nfs/dbraw/zinc/28/50/99/240285099.db2.gz HULDMYIZIGQHMU-QWRGUYRKSA-N 2 2 317.246 3.059 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452111638 241321418 /nfs/dbraw/zinc/32/14/18/241321418.db2.gz CVXVTQWIBLWICN-LJQANCHMSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000452111638 241321423 /nfs/dbraw/zinc/32/14/23/241321423.db2.gz CVXVTQWIBLWICN-LJQANCHMSA-N 2 2 312.461 3.095 20 0 DGADLP COCCCCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114109 241321570 /nfs/dbraw/zinc/32/15/70/241321570.db2.gz JBQVEGPOXKBCBG-UHFFFAOYSA-N 2 2 310.404 3.152 20 0 DGADLP COCCCCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114109 241321574 /nfs/dbraw/zinc/32/15/74/241321574.db2.gz JBQVEGPOXKBCBG-UHFFFAOYSA-N 2 2 310.404 3.152 20 0 DGADLP C[N@H+](C[C@@H]1CCC(C)(C)O1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124564 241322492 /nfs/dbraw/zinc/32/24/92/241322492.db2.gz XOTMPVKICROWDE-AWEZNQCLSA-N 2 2 322.415 3.293 20 0 DGADLP C[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124564 241322497 /nfs/dbraw/zinc/32/24/97/241322497.db2.gz XOTMPVKICROWDE-AWEZNQCLSA-N 2 2 322.415 3.293 20 0 DGADLP Fc1cccc(F)c1CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000451963004 241286674 /nfs/dbraw/zinc/28/66/74/241286674.db2.gz XZZUPIABPUBFIT-UHFFFAOYSA-N 2 2 305.372 3.116 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CCO1 ZINC000246229924 432109955 /nfs/dbraw/zinc/10/99/55/432109955.db2.gz GNMAJPFITFBCDQ-UZLBHIALSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CCO1 ZINC000246229924 432109960 /nfs/dbraw/zinc/10/99/60/432109960.db2.gz GNMAJPFITFBCDQ-UZLBHIALSA-N 2 2 314.473 3.249 20 0 DGADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000275309425 212262919 /nfs/dbraw/zinc/26/29/19/212262919.db2.gz JFPWSAGSUHMMCW-UHFFFAOYSA-N 2 2 306.425 3.331 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)C[N@H+](Cc2ccccc2)C1 ZINC000275285936 212249836 /nfs/dbraw/zinc/24/98/36/212249836.db2.gz UBBIZNDPFYIARM-GTAWCEEGSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)C[N@@H+](Cc2ccccc2)C1 ZINC000275285936 212249837 /nfs/dbraw/zinc/24/98/37/212249837.db2.gz UBBIZNDPFYIARM-GTAWCEEGSA-N 2 2 316.489 3.038 20 0 DGADLP Fc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1Br ZINC000135299727 432110455 /nfs/dbraw/zinc/11/04/55/432110455.db2.gz XNZFPETWTZQKKR-UHFFFAOYSA-N 2 2 315.230 3.164 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[NH+]2CCCCCC2)c(C)[nH+]1 ZINC000455472916 242209505 /nfs/dbraw/zinc/20/95/05/242209505.db2.gz JHQDIGVZXNBIPI-UHFFFAOYSA-N 2 2 304.438 3.004 20 0 DGADLP Cc1cc(C)c(NC(=O)NC(C)(C)C[NH+]2CCCC2)c(C)[nH+]1 ZINC000455536434 242229206 /nfs/dbraw/zinc/22/92/06/242229206.db2.gz WAKOKTLRWFUUKB-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246264808 432113181 /nfs/dbraw/zinc/11/31/81/432113181.db2.gz ABOHFSYAQYNLOO-QAPCUYQASA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246264808 432113184 /nfs/dbraw/zinc/11/31/84/432113184.db2.gz ABOHFSYAQYNLOO-QAPCUYQASA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246264808 432113186 /nfs/dbraw/zinc/11/31/86/432113186.db2.gz ABOHFSYAQYNLOO-QAPCUYQASA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246264808 432113188 /nfs/dbraw/zinc/11/31/88/432113188.db2.gz ABOHFSYAQYNLOO-QAPCUYQASA-N 2 2 318.509 3.123 20 0 DGADLP Cc1ccn2c(CN3CCC[C@@H]3C[NH+]3CCCCC3)c[nH+]c2c1 ZINC000092218864 193175910 /nfs/dbraw/zinc/17/59/10/193175910.db2.gz SKKQDSGESFRLAG-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253556 193180865 /nfs/dbraw/zinc/18/08/65/193180865.db2.gz NGRXRKAGESLOQW-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253556 193180866 /nfs/dbraw/zinc/18/08/66/193180866.db2.gz NGRXRKAGESLOQW-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253556 193180868 /nfs/dbraw/zinc/18/08/68/193180868.db2.gz NGRXRKAGESLOQW-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253556 193180870 /nfs/dbraw/zinc/18/08/70/193180870.db2.gz NGRXRKAGESLOQW-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(O)c1Br ZINC000459427844 243366390 /nfs/dbraw/zinc/36/63/90/243366390.db2.gz ADLYSXTVJOVBOJ-UHFFFAOYSA-N 2 2 321.218 3.190 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000131073247 296132278 /nfs/dbraw/zinc/13/22/78/296132278.db2.gz VJFLYDSXHBRPOG-MISYRCLQSA-N 2 2 316.489 3.474 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468384048 244038273 /nfs/dbraw/zinc/03/82/73/244038273.db2.gz MGJALYOAOWIRRK-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468384048 244038279 /nfs/dbraw/zinc/03/82/79/244038279.db2.gz MGJALYOAOWIRRK-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000261732163 203104982 /nfs/dbraw/zinc/10/49/82/203104982.db2.gz FYOLRUICQCMKSG-CQSZACIVSA-N 2 2 311.385 3.202 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469086041 244082194 /nfs/dbraw/zinc/08/21/94/244082194.db2.gz QIYBYOMRKQXWDN-SXLOBPIMSA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469086041 244082199 /nfs/dbraw/zinc/08/21/99/244082199.db2.gz QIYBYOMRKQXWDN-SXLOBPIMSA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469086041 244082205 /nfs/dbraw/zinc/08/22/05/244082205.db2.gz QIYBYOMRKQXWDN-SXLOBPIMSA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000469086041 244082211 /nfs/dbraw/zinc/08/22/11/244082211.db2.gz QIYBYOMRKQXWDN-SXLOBPIMSA-N 3 2 321.553 3.351 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)c(OCCC)c1 ZINC000469991421 244136201 /nfs/dbraw/zinc/13/62/01/244136201.db2.gz JARVDFDUOSVUAI-MRXNPFEDSA-N 2 2 320.477 3.306 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)c(OCCC)c1 ZINC000469991421 244136208 /nfs/dbraw/zinc/13/62/08/244136208.db2.gz JARVDFDUOSVUAI-MRXNPFEDSA-N 2 2 320.477 3.306 20 0 DGADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470996133 244202004 /nfs/dbraw/zinc/20/20/04/244202004.db2.gz QODDCTHTSUGTBC-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470996133 244202009 /nfs/dbraw/zinc/20/20/09/244202009.db2.gz QODDCTHTSUGTBC-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470996133 244202011 /nfs/dbraw/zinc/20/20/11/244202011.db2.gz QODDCTHTSUGTBC-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470996133 244202013 /nfs/dbraw/zinc/20/20/13/244202013.db2.gz QODDCTHTSUGTBC-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Cc1cccnc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093177583 193211874 /nfs/dbraw/zinc/21/18/74/193211874.db2.gz KQINRHGHVPGNBR-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccnc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093177583 193211876 /nfs/dbraw/zinc/21/18/76/193211876.db2.gz KQINRHGHVPGNBR-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccnc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093177583 193211878 /nfs/dbraw/zinc/21/18/78/193211878.db2.gz KQINRHGHVPGNBR-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccnc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093177583 193211880 /nfs/dbraw/zinc/21/18/80/193211880.db2.gz KQINRHGHVPGNBR-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP C[N@@H+](Cc1cncs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336774 193233029 /nfs/dbraw/zinc/23/30/29/193233029.db2.gz AWCKPVUKYGRLQV-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP C[N@H+](Cc1cncs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336774 193233031 /nfs/dbraw/zinc/23/30/31/193233031.db2.gz AWCKPVUKYGRLQV-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1cncs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336774 193233033 /nfs/dbraw/zinc/23/30/33/193233033.db2.gz AWCKPVUKYGRLQV-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1cncs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336774 193233035 /nfs/dbraw/zinc/23/30/35/193233035.db2.gz AWCKPVUKYGRLQV-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000262696722 203386443 /nfs/dbraw/zinc/38/64/43/203386443.db2.gz FETJVBBYAMPCDP-KRWDZBQOSA-N 2 2 300.406 3.286 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093563594 193268171 /nfs/dbraw/zinc/26/81/71/193268171.db2.gz IMZXEQZGKQWCKV-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093563594 193268172 /nfs/dbraw/zinc/26/81/72/193268172.db2.gz IMZXEQZGKQWCKV-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000094342073 193362388 /nfs/dbraw/zinc/36/23/88/193362388.db2.gz OYPGLCSFJZCDAL-CZUORRHYSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000094342073 193362389 /nfs/dbraw/zinc/36/23/89/193362389.db2.gz OYPGLCSFJZCDAL-CZUORRHYSA-N 2 2 301.459 3.288 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487579446 245078473 /nfs/dbraw/zinc/07/84/73/245078473.db2.gz WERAGMSQPCNEIZ-KZJOSYIESA-N 2 2 307.441 3.205 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000487579446 245078476 /nfs/dbraw/zinc/07/84/76/245078476.db2.gz WERAGMSQPCNEIZ-KZJOSYIESA-N 2 2 307.441 3.205 20 0 DGADLP CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000123120171 284232463 /nfs/dbraw/zinc/23/24/63/284232463.db2.gz YVHHOUKKNQCVCV-AQNXPRMDSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000123120171 284232466 /nfs/dbraw/zinc/23/24/66/284232466.db2.gz YVHHOUKKNQCVCV-AQNXPRMDSA-N 2 2 316.489 3.228 20 0 DGADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000274897300 212018073 /nfs/dbraw/zinc/01/80/73/212018073.db2.gz OFQNUVIWGQXGKX-YOEHRIQHSA-N 2 2 312.417 3.203 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264950868 204296027 /nfs/dbraw/zinc/29/60/27/204296027.db2.gz BKGHZGWDAZBHSZ-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000264950868 204296029 /nfs/dbraw/zinc/29/60/29/204296029.db2.gz BKGHZGWDAZBHSZ-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125687090 284281233 /nfs/dbraw/zinc/28/12/33/284281233.db2.gz BJGFMNNTOWXIEQ-LJQANCHMSA-N 2 2 320.440 3.351 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000282514943 217055181 /nfs/dbraw/zinc/05/51/81/217055181.db2.gz UACXXAJDIVLLRX-UHFFFAOYSA-N 2 2 317.296 3.475 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000246392008 432126735 /nfs/dbraw/zinc/12/67/35/432126735.db2.gz AYHVWSJRKZGHJQ-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1F ZINC000246392008 432126738 /nfs/dbraw/zinc/12/67/38/432126738.db2.gz AYHVWSJRKZGHJQ-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+](C)CC3)s2)cc1 ZINC000266087625 205088640 /nfs/dbraw/zinc/08/86/40/205088640.db2.gz HMPMFEQRWHEHQF-UHFFFAOYSA-N 2 2 301.459 3.302 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000266156113 205142642 /nfs/dbraw/zinc/14/26/42/205142642.db2.gz LVYMWWGYLJAOBB-MAUKXSAKSA-N 2 2 319.468 3.246 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000266156113 205142647 /nfs/dbraw/zinc/14/26/47/205142647.db2.gz LVYMWWGYLJAOBB-MAUKXSAKSA-N 2 2 319.468 3.246 20 0 DGADLP FC1(F)CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000282874327 217292474 /nfs/dbraw/zinc/29/24/74/217292474.db2.gz VJEXIFRUHGYNAU-CQSZACIVSA-N 2 2 309.404 3.466 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268765424 432128970 /nfs/dbraw/zinc/12/89/70/432128970.db2.gz NOYPBGYKIYLBAC-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268765424 432128973 /nfs/dbraw/zinc/12/89/73/432128973.db2.gz NOYPBGYKIYLBAC-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765424 432128974 /nfs/dbraw/zinc/12/89/74/432128974.db2.gz NOYPBGYKIYLBAC-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765424 432128979 /nfs/dbraw/zinc/12/89/79/432128979.db2.gz NOYPBGYKIYLBAC-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCSC2)n1-c1ccccc1 ZINC000288494830 220178804 /nfs/dbraw/zinc/17/88/04/220178804.db2.gz RGXWHSHZUVZTMN-HNNXBMFYSA-N 2 2 301.459 3.414 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000288533690 220209547 /nfs/dbraw/zinc/20/95/47/220209547.db2.gz VYYGFZZJVVYMNJ-VQIMIIECSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000288533690 220209553 /nfs/dbraw/zinc/20/95/53/220209553.db2.gz VYYGFZZJVVYMNJ-VQIMIIECSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000268785071 432132284 /nfs/dbraw/zinc/13/22/84/432132284.db2.gz ZQUMRZGEPBALTC-XUJVJEKNSA-N 2 2 310.388 3.421 20 0 DGADLP Fc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267360985 206010368 /nfs/dbraw/zinc/01/03/68/206010368.db2.gz IDXSXAWDSQBJAO-MRXNPFEDSA-N 2 2 322.387 3.396 20 0 DGADLP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267360985 206010369 /nfs/dbraw/zinc/01/03/69/206010369.db2.gz IDXSXAWDSQBJAO-MRXNPFEDSA-N 2 2 322.387 3.396 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000493898016 246093173 /nfs/dbraw/zinc/09/31/73/246093173.db2.gz SXYBIJXQFLVKQC-DUQPFJRNSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCCC[C@H]1C ZINC000493898016 246093175 /nfs/dbraw/zinc/09/31/75/246093175.db2.gz SXYBIJXQFLVKQC-DUQPFJRNSA-N 2 2 306.494 3.187 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000021787792 182288904 /nfs/dbraw/zinc/28/89/04/182288904.db2.gz BWYUNZBTLHEOJT-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000021787792 182288905 /nfs/dbraw/zinc/28/89/05/182288905.db2.gz BWYUNZBTLHEOJT-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP Clc1cc2cccnc2c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494416355 246144423 /nfs/dbraw/zinc/14/44/23/246144423.db2.gz TZXJEBZMKRGJJO-HNNXBMFYSA-N 2 2 312.804 3.189 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CC2 ZINC000494407806 246145441 /nfs/dbraw/zinc/14/54/41/246145441.db2.gz VGKLDSZSPGAQLQ-AWEZNQCLSA-N 2 2 310.426 3.111 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000494612186 246171105 /nfs/dbraw/zinc/17/11/05/246171105.db2.gz MQSNKMHIQJFJCT-CQSZACIVSA-N 2 2 301.409 3.440 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000494850253 246201758 /nfs/dbraw/zinc/20/17/58/246201758.db2.gz JVKAUCXTHBRYDZ-GOSISDBHSA-N 2 2 304.478 3.159 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000494850253 246201763 /nfs/dbraw/zinc/20/17/63/246201763.db2.gz JVKAUCXTHBRYDZ-GOSISDBHSA-N 2 2 304.478 3.159 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c[nH+]1 ZINC000495915873 246327720 /nfs/dbraw/zinc/32/77/20/246327720.db2.gz RJQJAVYCXPJRNY-HUUCEWRRSA-N 2 2 321.465 3.214 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268795969 432137283 /nfs/dbraw/zinc/13/72/83/432137283.db2.gz ZWZGBJVZJQCXCL-MRXNPFEDSA-N 3 2 300.450 3.253 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268795969 432137288 /nfs/dbraw/zinc/13/72/88/432137288.db2.gz ZWZGBJVZJQCXCL-MRXNPFEDSA-N 3 2 300.450 3.253 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)o1 ZINC000268826612 432141909 /nfs/dbraw/zinc/14/19/09/432141909.db2.gz JCVBSBRMVVAMPU-DOTOQJQBSA-N 2 2 314.429 3.054 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246542833 432142738 /nfs/dbraw/zinc/14/27/38/432142738.db2.gz JZUSGCLPEDJRSW-OFQRWUPVSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246542833 432142741 /nfs/dbraw/zinc/14/27/41/432142741.db2.gz JZUSGCLPEDJRSW-OFQRWUPVSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246542833 432142746 /nfs/dbraw/zinc/14/27/46/432142746.db2.gz JZUSGCLPEDJRSW-OFQRWUPVSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246542833 432142749 /nfs/dbraw/zinc/14/27/49/432142749.db2.gz JZUSGCLPEDJRSW-OFQRWUPVSA-N 2 2 318.465 3.203 20 0 DGADLP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136095748 432145027 /nfs/dbraw/zinc/14/50/27/432145027.db2.gz WRCAMLCRUMYHNS-MAUKXSAKSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136095748 432145029 /nfs/dbraw/zinc/14/50/29/432145029.db2.gz WRCAMLCRUMYHNS-MAUKXSAKSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)co2)cc1 ZINC000268902176 432145945 /nfs/dbraw/zinc/14/59/45/432145945.db2.gz FWUYBBOSUYZKJX-IIDMSEBBSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)co2)cc1 ZINC000268902176 432145947 /nfs/dbraw/zinc/14/59/47/432145947.db2.gz FWUYBBOSUYZKJX-IIDMSEBBSA-N 2 2 313.445 3.468 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000040227406 183047653 /nfs/dbraw/zinc/04/76/53/183047653.db2.gz JFBSVELMQMWDKE-ABAIWWIYSA-N 2 2 320.234 3.311 20 0 DGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000041064059 183160718 /nfs/dbraw/zinc/16/07/18/183160718.db2.gz MWQFHTMEZORQBT-AWEZNQCLSA-N 2 2 308.223 3.387 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000284512071 218058781 /nfs/dbraw/zinc/05/87/81/218058781.db2.gz VSORNWGBHBNTQE-VOTSOKGWSA-N 2 2 310.401 3.033 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000284512071 218058784 /nfs/dbraw/zinc/05/87/84/218058784.db2.gz VSORNWGBHBNTQE-VOTSOKGWSA-N 2 2 310.401 3.033 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000273853627 211114662 /nfs/dbraw/zinc/11/46/62/211114662.db2.gz SSGQELODMXPKKU-SNXQWQLTSA-N 2 2 314.473 3.032 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000273853627 211114665 /nfs/dbraw/zinc/11/46/65/211114665.db2.gz SSGQELODMXPKKU-SNXQWQLTSA-N 2 2 314.473 3.032 20 0 DGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000105875817 194153223 /nfs/dbraw/zinc/15/32/23/194153223.db2.gz PETCBRURAUOMQH-UHFFFAOYSA-N 2 2 305.372 3.153 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000106434961 194212788 /nfs/dbraw/zinc/21/27/88/194212788.db2.gz STPIKCLHURJAEG-QGZVFWFLSA-N 2 2 313.401 3.399 20 0 DGADLP C[C@@H](O)C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268992544 207148903 /nfs/dbraw/zinc/14/89/03/207148903.db2.gz MXQBCTLBRBLSDD-LSDHHAIUSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000268998254 207153898 /nfs/dbraw/zinc/15/38/98/207153898.db2.gz KYQNMLATVSVFGH-WDEREUQCSA-N 2 2 304.356 3.418 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cccc2c1OCO2)Cc1ccccc1 ZINC000060856780 184157036 /nfs/dbraw/zinc/15/70/36/184157036.db2.gz POFFDDAQGJZIKG-UHFFFAOYSA-N 2 2 312.413 3.027 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cccc2c1OCO2)Cc1ccccc1 ZINC000060856780 184157037 /nfs/dbraw/zinc/15/70/37/184157037.db2.gz POFFDDAQGJZIKG-UHFFFAOYSA-N 2 2 312.413 3.027 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)CC(=O)NC)[NH2+][C@H](C)c1ccccc1 ZINC000269043262 207191997 /nfs/dbraw/zinc/19/19/97/207191997.db2.gz WBCJQBVCGKXNRU-JKSUJKDBSA-N 2 2 319.493 3.010 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000063524507 184284082 /nfs/dbraw/zinc/28/40/82/184284082.db2.gz QPHJOCAHAVAYEE-INIZCTEOSA-N 2 2 314.429 3.099 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000063524507 184284083 /nfs/dbraw/zinc/28/40/83/184284083.db2.gz QPHJOCAHAVAYEE-INIZCTEOSA-N 2 2 314.429 3.099 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000248681664 285017961 /nfs/dbraw/zinc/01/79/61/285017961.db2.gz WVSJCZFZPLXWDG-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000248681664 285017964 /nfs/dbraw/zinc/01/79/64/285017964.db2.gz WVSJCZFZPLXWDG-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000119629312 195006818 /nfs/dbraw/zinc/00/68/18/195006818.db2.gz BVRPUIFVYQOCFK-ZBFHGGJFSA-N 2 2 322.880 3.319 20 0 DGADLP Cc1cc(NC(=O)NCCCCC[NH+]2CCCCC2)cc[nH+]1 ZINC000119798507 195039352 /nfs/dbraw/zinc/03/93/52/195039352.db2.gz QGVCNIFXWDHOFF-UHFFFAOYSA-N 2 2 304.438 3.168 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862869 253012396 /nfs/dbraw/zinc/01/23/96/253012396.db2.gz MFAJIWMSISJOFR-CVEARBPZSA-N 2 2 303.450 3.471 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862869 253012398 /nfs/dbraw/zinc/01/23/98/253012398.db2.gz MFAJIWMSISJOFR-CVEARBPZSA-N 2 2 303.450 3.471 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCCCCCO ZINC000270134092 208192310 /nfs/dbraw/zinc/19/23/10/208192310.db2.gz HMRKCYIDXJURLZ-QGZVFWFLSA-N 2 2 315.461 3.362 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCCCCCO ZINC000270134092 208192317 /nfs/dbraw/zinc/19/23/17/208192317.db2.gz HMRKCYIDXJURLZ-QGZVFWFLSA-N 2 2 315.461 3.362 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC(C)(C)C3)c2cc1C ZINC000336872092 253015461 /nfs/dbraw/zinc/01/54/61/253015461.db2.gz OMKSIODQRZZZCQ-MRXNPFEDSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC(C)(C)C3)c2cc1C ZINC000336872092 253015464 /nfs/dbraw/zinc/01/54/64/253015464.db2.gz OMKSIODQRZZZCQ-MRXNPFEDSA-N 2 2 315.461 3.136 20 0 DGADLP c1ccc2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000337150830 253054392 /nfs/dbraw/zinc/05/43/92/253054392.db2.gz JFAWGJLOKXSNPR-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP c1ccc2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000337150830 253054393 /nfs/dbraw/zinc/05/43/93/253054393.db2.gz JFAWGJLOKXSNPR-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCCCC3CCOCC3)CC2)c1 ZINC000337153244 253055128 /nfs/dbraw/zinc/05/51/28/253055128.db2.gz LSGYFWGYLQXAOE-UHFFFAOYSA-N 2 2 317.477 3.109 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OC(C)(C)C)n1 ZINC000337201777 253061224 /nfs/dbraw/zinc/06/12/24/253061224.db2.gz DKLJLCYBEAYLFC-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OC(C)(C)C)n1 ZINC000337201777 253061225 /nfs/dbraw/zinc/06/12/25/253061225.db2.gz DKLJLCYBEAYLFC-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000337276267 253076529 /nfs/dbraw/zinc/07/65/29/253076529.db2.gz FCVYPOZWCDNPHT-BSWAZPDLSA-N 2 2 324.415 3.399 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000337276267 253076530 /nfs/dbraw/zinc/07/65/30/253076530.db2.gz FCVYPOZWCDNPHT-BSWAZPDLSA-N 2 2 324.415 3.399 20 0 DGADLP FC(F)O[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337322783 253087360 /nfs/dbraw/zinc/08/73/60/253087360.db2.gz ZZNWRRGMKSSEST-CABCVRRESA-N 2 2 307.344 3.122 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337245822 253069200 /nfs/dbraw/zinc/06/92/00/253069200.db2.gz JGTHKMYTNGDODJ-INIZCTEOSA-N 2 2 323.868 3.215 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337245822 253069202 /nfs/dbraw/zinc/06/92/02/253069202.db2.gz JGTHKMYTNGDODJ-INIZCTEOSA-N 2 2 323.868 3.215 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1OC ZINC000337363283 253097705 /nfs/dbraw/zinc/09/77/05/253097705.db2.gz AFYOIRWVPDZQGS-YQQAZPJKSA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1OC ZINC000337363283 253097706 /nfs/dbraw/zinc/09/77/06/253097706.db2.gz AFYOIRWVPDZQGS-YQQAZPJKSA-N 2 2 320.477 3.016 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1Cc2ccccc2C1 ZINC000337637334 253151988 /nfs/dbraw/zinc/15/19/88/253151988.db2.gz UEXGUPAGOIHWNA-UHFFFAOYSA-N 2 2 303.409 3.472 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1Cc2ccccc2C1 ZINC000337637334 253151990 /nfs/dbraw/zinc/15/19/90/253151990.db2.gz UEXGUPAGOIHWNA-UHFFFAOYSA-N 2 2 303.409 3.472 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000270311850 208383232 /nfs/dbraw/zinc/38/32/32/208383232.db2.gz IXMFBSVGRISFNQ-CQSZACIVSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nccs1 ZINC000270311850 208383235 /nfs/dbraw/zinc/38/32/35/208383235.db2.gz IXMFBSVGRISFNQ-CQSZACIVSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338174358 253237279 /nfs/dbraw/zinc/23/72/79/253237279.db2.gz BBXMNNWNYWRFHR-CRAIPNDOSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174358 253237281 /nfs/dbraw/zinc/23/72/81/253237281.db2.gz BBXMNNWNYWRFHR-CRAIPNDOSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@@H]3C[C@@H](C)O[C@@H](C)C3)n2c1 ZINC000338480059 253294926 /nfs/dbraw/zinc/29/49/26/253294926.db2.gz BPURCPRAYWBLTR-MUJYYYPQSA-N 2 2 301.434 3.326 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000159065399 197323810 /nfs/dbraw/zinc/32/38/10/197323810.db2.gz GECBRETWXWORMV-CYBMUJFWSA-N 2 2 312.404 3.116 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000342557572 254007233 /nfs/dbraw/zinc/00/72/33/254007233.db2.gz XYMOVSJKJROVOR-INIZCTEOSA-N 2 2 318.461 3.063 20 0 DGADLP C[N@H+](CCOc1ccccc1Cl)Cc1cccc2[nH+]ccn21 ZINC000342674511 254030695 /nfs/dbraw/zinc/03/06/95/254030695.db2.gz AKNCHXKGOBYRQP-UHFFFAOYSA-N 2 2 315.804 3.499 20 0 DGADLP C[N@@H+](CCOc1ccccc1Cl)Cc1cccc2[nH+]ccn21 ZINC000342674511 254030697 /nfs/dbraw/zinc/03/06/97/254030697.db2.gz AKNCHXKGOBYRQP-UHFFFAOYSA-N 2 2 315.804 3.499 20 0 DGADLP c1sc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756917 254044049 /nfs/dbraw/zinc/04/40/49/254044049.db2.gz UGGRPEBFAFXVSR-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756917 254044050 /nfs/dbraw/zinc/04/40/50/254044050.db2.gz UGGRPEBFAFXVSR-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756917 254044052 /nfs/dbraw/zinc/04/40/52/254044052.db2.gz UGGRPEBFAFXVSR-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756917 254044055 /nfs/dbraw/zinc/04/40/55/254044055.db2.gz UGGRPEBFAFXVSR-PBHICJAKSA-N 2 2 317.502 3.469 20 0 DGADLP Cc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc[nH+]1 ZINC000342800280 254053536 /nfs/dbraw/zinc/05/35/36/254053536.db2.gz QSVUODYLIFOIEN-UHFFFAOYSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc[nH+]1 ZINC000342800280 254053537 /nfs/dbraw/zinc/05/35/37/254053537.db2.gz QSVUODYLIFOIEN-UHFFFAOYSA-N 2 2 322.456 3.278 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)CC(C)C)CC1 ZINC000342802280 254054469 /nfs/dbraw/zinc/05/44/69/254054469.db2.gz KEFMUKRHTOHFDO-UHFFFAOYSA-N 2 2 312.498 3.066 20 0 DGADLP CCc1nc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000342825883 254060077 /nfs/dbraw/zinc/06/00/77/254060077.db2.gz RBPGAEYNXIWTSZ-KRWDZBQOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000342825883 254060079 /nfs/dbraw/zinc/06/00/79/254060079.db2.gz RBPGAEYNXIWTSZ-KRWDZBQOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342826518 254061002 /nfs/dbraw/zinc/06/10/02/254061002.db2.gz UYLPSTNHKJFIDP-SFHVURJKSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1nc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342826518 254061005 /nfs/dbraw/zinc/06/10/05/254061005.db2.gz UYLPSTNHKJFIDP-SFHVURJKSA-N 2 2 324.472 3.306 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000343557067 254159960 /nfs/dbraw/zinc/15/99/60/254159960.db2.gz SCBJXIIBCLFQNM-MRXNPFEDSA-N 2 2 312.461 3.412 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000343672658 254176242 /nfs/dbraw/zinc/17/62/42/254176242.db2.gz WTIYHAYZMFQVPO-JCHJZTRSSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000343672658 254176243 /nfs/dbraw/zinc/17/62/43/254176243.db2.gz WTIYHAYZMFQVPO-JCHJZTRSSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827229 254193183 /nfs/dbraw/zinc/19/31/83/254193183.db2.gz AFGICYXVSCWWLV-ZJUUUORDSA-N 2 2 319.396 3.297 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827229 254193184 /nfs/dbraw/zinc/19/31/84/254193184.db2.gz AFGICYXVSCWWLV-ZJUUUORDSA-N 2 2 319.396 3.297 20 0 DGADLP c1c[nH+]c(CN2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)[nH]1 ZINC000343869123 254197995 /nfs/dbraw/zinc/19/79/95/254197995.db2.gz PHHJFZMDSGQFGQ-UHFFFAOYSA-N 2 2 324.472 3.385 20 0 DGADLP CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000343883299 254199670 /nfs/dbraw/zinc/19/96/70/254199670.db2.gz ANECZKZTLUISOC-UHFFFAOYSA-N 2 2 315.417 3.036 20 0 DGADLP CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000343883299 254199671 /nfs/dbraw/zinc/19/96/71/254199671.db2.gz ANECZKZTLUISOC-UHFFFAOYSA-N 2 2 315.417 3.036 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C12CCCC2 ZINC000344157826 254233565 /nfs/dbraw/zinc/23/35/65/254233565.db2.gz BJZFXRMEEGKOMU-HOTGVXAUSA-N 2 2 303.450 3.211 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332271 254257639 /nfs/dbraw/zinc/25/76/39/254257639.db2.gz YTIKWFSTMGGMFM-IUODEOHRSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332271 254257640 /nfs/dbraw/zinc/25/76/40/254257640.db2.gz YTIKWFSTMGGMFM-IUODEOHRSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@@H+]1C ZINC000344356148 254261102 /nfs/dbraw/zinc/26/11/02/254261102.db2.gz MATKEXZQRGQKNL-IUODEOHRSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@H+]1C ZINC000344356148 254261104 /nfs/dbraw/zinc/26/11/04/254261104.db2.gz MATKEXZQRGQKNL-IUODEOHRSA-N 2 2 316.367 3.200 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000344374574 254263835 /nfs/dbraw/zinc/26/38/35/254263835.db2.gz KWRXAROFPHPGBM-UKRRQHHQSA-N 2 2 314.857 3.160 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000344374574 254263837 /nfs/dbraw/zinc/26/38/37/254263837.db2.gz KWRXAROFPHPGBM-UKRRQHHQSA-N 2 2 314.857 3.160 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000344522749 254279581 /nfs/dbraw/zinc/27/95/81/254279581.db2.gz KULLHFQAWWKGSN-DLBZAZTESA-N 2 2 308.510 3.434 20 0 DGADLP CCCOc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1OCC ZINC000344686451 254295649 /nfs/dbraw/zinc/29/56/49/254295649.db2.gz RVFBUZGSYFDCHD-NVXWUHKLSA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1OCC ZINC000344686451 254295650 /nfs/dbraw/zinc/29/56/50/254295650.db2.gz RVFBUZGSYFDCHD-NVXWUHKLSA-N 2 2 320.477 3.446 20 0 DGADLP CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344778128 254304776 /nfs/dbraw/zinc/30/47/76/254304776.db2.gz QWEBBQDEAWHTKW-UHFFFAOYSA-N 2 2 315.417 3.084 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](c3ccco3)N3CCCC3)n2c1 ZINC000155610526 197071831 /nfs/dbraw/zinc/07/18/31/197071831.db2.gz LMIBSRVSIRZGKE-KRWDZBQOSA-N 2 2 324.428 3.162 20 0 DGADLP FC(F)(F)c1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000155188476 197030208 /nfs/dbraw/zinc/03/02/08/197030208.db2.gz GBYJQJVOXDOLJH-UHFFFAOYSA-N 2 2 316.352 3.196 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cncc(F)c1 ZINC000120656904 195210147 /nfs/dbraw/zinc/21/01/47/195210147.db2.gz NQSJSZVSROVZEN-VCBZYWHSSA-N 2 2 313.420 3.392 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1O ZINC000289605520 221098223 /nfs/dbraw/zinc/09/82/23/221098223.db2.gz GCVXIGPXYBHLNP-CQSZACIVSA-N 2 2 315.417 3.339 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289743251 221196711 /nfs/dbraw/zinc/19/67/11/221196711.db2.gz IRXXLRAGYYMZBP-UHFFFAOYSA-N 2 2 318.465 3.319 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289743251 221196713 /nfs/dbraw/zinc/19/67/13/221196713.db2.gz IRXXLRAGYYMZBP-UHFFFAOYSA-N 2 2 318.465 3.319 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000289743251 221196714 /nfs/dbraw/zinc/19/67/14/221196714.db2.gz IRXXLRAGYYMZBP-UHFFFAOYSA-N 2 2 318.465 3.319 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000289743251 221196716 /nfs/dbraw/zinc/19/67/16/221196716.db2.gz IRXXLRAGYYMZBP-UHFFFAOYSA-N 2 2 318.465 3.319 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294912507 224306080 /nfs/dbraw/zinc/30/60/80/224306080.db2.gz FATBZOALVOSLFB-RHSMWYFYSA-N 2 2 315.486 3.247 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294912507 224306081 /nfs/dbraw/zinc/30/60/81/224306081.db2.gz FATBZOALVOSLFB-RHSMWYFYSA-N 2 2 315.486 3.247 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000294942332 224326751 /nfs/dbraw/zinc/32/67/51/224326751.db2.gz CUASOIJUNPVUNA-KSSFIOAISA-N 2 2 319.518 3.380 20 0 DGADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(Cl)c1OC ZINC000349402912 285344066 /nfs/dbraw/zinc/34/40/66/285344066.db2.gz AGOSJXDXPXWGMM-UHFFFAOYSA-N 2 2 323.824 3.076 20 0 DGADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(Cl)c1OC ZINC000349402912 285344068 /nfs/dbraw/zinc/34/40/68/285344068.db2.gz AGOSJXDXPXWGMM-UHFFFAOYSA-N 2 2 323.824 3.076 20 0 DGADLP Brc1ccsc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535040 285353160 /nfs/dbraw/zinc/35/31/60/285353160.db2.gz LQQGGVBMIRLBCS-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1ccsc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535040 285353166 /nfs/dbraw/zinc/35/31/66/285353166.db2.gz LQQGGVBMIRLBCS-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000121552192 195305632 /nfs/dbraw/zinc/30/56/32/195305632.db2.gz IHEVNZUTFBCYQF-TZMCWYRMSA-N 2 2 303.431 3.120 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000121552192 195305634 /nfs/dbraw/zinc/30/56/34/195305634.db2.gz IHEVNZUTFBCYQF-TZMCWYRMSA-N 2 2 303.431 3.120 20 0 DGADLP CC[NH+](CC)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121714695 195334191 /nfs/dbraw/zinc/33/41/91/195334191.db2.gz WWRHXKYMUKPXBX-UHFFFAOYSA-N 3 2 317.521 3.015 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839743 195359128 /nfs/dbraw/zinc/35/91/28/195359128.db2.gz XNQCPADTTGEUHU-DYESRHJHSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839743 195359130 /nfs/dbraw/zinc/35/91/30/195359130.db2.gz XNQCPADTTGEUHU-DYESRHJHSA-N 2 2 324.468 3.494 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415130971 533423400 /nfs/dbraw/zinc/42/34/00/533423400.db2.gz ROZARFBVPRCJCM-CMPLNLGQSA-N 2 2 317.260 3.419 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415130971 533423406 /nfs/dbraw/zinc/42/34/06/533423406.db2.gz ROZARFBVPRCJCM-CMPLNLGQSA-N 2 2 317.260 3.419 20 0 DGADLP CSC1(C[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000434989662 533511976 /nfs/dbraw/zinc/51/19/76/533511976.db2.gz BSWLLILBEJIPBG-RDJZCZTQSA-N 2 2 304.503 3.382 20 0 DGADLP CSC1(C[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434989662 533511981 /nfs/dbraw/zinc/51/19/81/533511981.db2.gz BSWLLILBEJIPBG-RDJZCZTQSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000415123877 533643504 /nfs/dbraw/zinc/64/35/04/533643504.db2.gz JVOAFGHOLWPLDW-JSGCOSHPSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000415123877 533643516 /nfs/dbraw/zinc/64/35/16/533643516.db2.gz JVOAFGHOLWPLDW-JSGCOSHPSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000431647357 533649210 /nfs/dbraw/zinc/64/92/10/533649210.db2.gz CSFZUIRLWCJGGA-NZSAHSFTSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000431647357 533649222 /nfs/dbraw/zinc/64/92/22/533649222.db2.gz CSFZUIRLWCJGGA-NZSAHSFTSA-N 2 2 314.473 3.056 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000302907791 400103555 /nfs/dbraw/zinc/10/35/55/400103555.db2.gz WIQYBCYGEVCBKS-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000302907791 400103562 /nfs/dbraw/zinc/10/35/62/400103562.db2.gz WIQYBCYGEVCBKS-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C2CC2)cc1 ZINC000091375352 400114722 /nfs/dbraw/zinc/11/47/22/400114722.db2.gz LPAGONNWZBLYFO-VQIMIIECSA-N 2 2 302.462 3.147 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090847007 400079430 /nfs/dbraw/zinc/07/94/30/400079430.db2.gz BHPRLNPUPIAAHJ-MRXNPFEDSA-N 2 2 314.429 3.309 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1sccc1Br)C[NH+](C)C ZINC000309763217 400131761 /nfs/dbraw/zinc/13/17/61/400131761.db2.gz MZHUXLLEZBPJQG-ZJUUUORDSA-N 2 2 305.285 3.359 20 0 DGADLP COc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788619 400132016 /nfs/dbraw/zinc/13/20/16/400132016.db2.gz NZUBEIVTURVFQM-DOTOQJQBSA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788619 400132023 /nfs/dbraw/zinc/13/20/23/400132023.db2.gz NZUBEIVTURVFQM-DOTOQJQBSA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(F)c1 ZINC000309795127 400132094 /nfs/dbraw/zinc/13/20/94/400132094.db2.gz JQRNDVDQGNFPJA-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(F)c1 ZINC000309795127 400132102 /nfs/dbraw/zinc/13/21/02/400132102.db2.gz JQRNDVDQGNFPJA-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP COc1ccc[nH+]c1N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788620 400132191 /nfs/dbraw/zinc/13/21/91/400132191.db2.gz NZUBEIVTURVFQM-NVXWUHKLSA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788620 400132199 /nfs/dbraw/zinc/13/21/99/400132199.db2.gz NZUBEIVTURVFQM-NVXWUHKLSA-N 2 2 311.429 3.413 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770672 400255580 /nfs/dbraw/zinc/25/55/80/400255580.db2.gz CTEGQPMQUNZRBX-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770672 400255581 /nfs/dbraw/zinc/25/55/81/400255581.db2.gz CTEGQPMQUNZRBX-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770672 400255584 /nfs/dbraw/zinc/25/55/84/400255584.db2.gz CTEGQPMQUNZRBX-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770672 400255587 /nfs/dbraw/zinc/25/55/87/400255587.db2.gz CTEGQPMQUNZRBX-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000351223024 400241455 /nfs/dbraw/zinc/24/14/55/400241455.db2.gz BGFVTPBBVCINRL-QGZVFWFLSA-N 2 2 318.396 3.033 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000351223024 400241461 /nfs/dbraw/zinc/24/14/61/400241461.db2.gz BGFVTPBBVCINRL-QGZVFWFLSA-N 2 2 318.396 3.033 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000092738592 400199560 /nfs/dbraw/zinc/19/95/60/400199560.db2.gz QWUGULCGZULPDI-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cn1 ZINC000092740895 400200508 /nfs/dbraw/zinc/20/05/08/400200508.db2.gz OMXUBMLZWRCJRG-GFCCVEGCSA-N 2 2 314.339 3.396 20 0 DGADLP Cc1cc(C)c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)[nH+]1 ZINC000588358019 400212762 /nfs/dbraw/zinc/21/27/62/400212762.db2.gz NUJYDPDNYWQPBP-UHFFFAOYSA-N 2 2 308.385 3.144 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390550812 400271850 /nfs/dbraw/zinc/27/18/50/400271850.db2.gz CBJQANDUZSAQAK-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390550812 400271853 /nfs/dbraw/zinc/27/18/53/400271853.db2.gz CBJQANDUZSAQAK-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866019 400258497 /nfs/dbraw/zinc/25/84/97/400258497.db2.gz SQSONDHBLAWHEX-MJICGBHWSA-N 2 2 310.397 3.257 20 0 DGADLP COc1ccccc1/C=C/C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866019 400258501 /nfs/dbraw/zinc/25/85/01/400258501.db2.gz SQSONDHBLAWHEX-MJICGBHWSA-N 2 2 310.397 3.257 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865807 400259315 /nfs/dbraw/zinc/25/93/15/400259315.db2.gz VXMJYCMFEXBVJU-CQSZACIVSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865807 400259318 /nfs/dbraw/zinc/25/93/18/400259318.db2.gz VXMJYCMFEXBVJU-CQSZACIVSA-N 2 2 318.804 3.397 20 0 DGADLP Cn1nc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c2ccccc21 ZINC000589843440 400333588 /nfs/dbraw/zinc/33/35/88/400333588.db2.gz LBBOAHJYYLYBIJ-UHFFFAOYSA-N 2 2 319.412 3.172 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+]Cc3cnc4ccccc4n3)[nH]c2c1 ZINC000589843316 400333661 /nfs/dbraw/zinc/33/36/61/400333661.db2.gz BZCOHIUQVJMAPY-UHFFFAOYSA-N 2 2 317.396 3.229 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858281 400408946 /nfs/dbraw/zinc/40/89/46/400408946.db2.gz RIYMZUZTBFYMOL-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858281 400408955 /nfs/dbraw/zinc/40/89/55/400408955.db2.gz RIYMZUZTBFYMOL-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858281 400408958 /nfs/dbraw/zinc/40/89/58/400408958.db2.gz RIYMZUZTBFYMOL-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858281 400408965 /nfs/dbraw/zinc/40/89/65/400408965.db2.gz RIYMZUZTBFYMOL-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860088 400409255 /nfs/dbraw/zinc/40/92/55/400409255.db2.gz RCNMRJFKJNIAKG-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860088 400409261 /nfs/dbraw/zinc/40/92/61/400409261.db2.gz RCNMRJFKJNIAKG-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860088 400409265 /nfs/dbraw/zinc/40/92/65/400409265.db2.gz RCNMRJFKJNIAKG-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000072860088 400409270 /nfs/dbraw/zinc/40/92/70/400409270.db2.gz RCNMRJFKJNIAKG-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000041872472 400415837 /nfs/dbraw/zinc/41/58/37/400415837.db2.gz WHFHDROHZKYQFP-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081934 400484535 /nfs/dbraw/zinc/48/45/35/400484535.db2.gz BWJUVTBVLZYPGS-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081934 400484540 /nfs/dbraw/zinc/48/45/40/400484540.db2.gz BWJUVTBVLZYPGS-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000591083572 400485861 /nfs/dbraw/zinc/48/58/61/400485861.db2.gz YIBQTWHSEGXGGH-OAHLLOKOSA-N 2 2 323.400 3.079 20 0 DGADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000591083572 400485863 /nfs/dbraw/zinc/48/58/63/400485863.db2.gz YIBQTWHSEGXGGH-OAHLLOKOSA-N 2 2 323.400 3.079 20 0 DGADLP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000597155026 400573199 /nfs/dbraw/zinc/57/31/99/400573199.db2.gz RBSQWNUUOKIJQT-INIZCTEOSA-N 2 2 321.465 3.110 20 0 DGADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000597173413 400575857 /nfs/dbraw/zinc/57/58/57/400575857.db2.gz NQGPOSSUXQOHAC-ZDUSSCGKSA-N 2 2 324.852 3.089 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129098443 400521936 /nfs/dbraw/zinc/52/19/36/400521936.db2.gz MZZUGDNQDDPQDE-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129098443 400521939 /nfs/dbraw/zinc/52/19/39/400521939.db2.gz MZZUGDNQDDPQDE-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP c1coc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cs2)c1 ZINC000591915790 400578621 /nfs/dbraw/zinc/57/86/21/400578621.db2.gz QDZDEKDJGGQMMB-AWEZNQCLSA-N 2 2 314.414 3.437 20 0 DGADLP c1coc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cs2)c1 ZINC000591915790 400578628 /nfs/dbraw/zinc/57/86/28/400578628.db2.gz QDZDEKDJGGQMMB-AWEZNQCLSA-N 2 2 314.414 3.437 20 0 DGADLP CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474893 400532537 /nfs/dbraw/zinc/53/25/37/400532537.db2.gz JQVRZIUMOZQXFJ-ABSDTBQOSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474893 400532545 /nfs/dbraw/zinc/53/25/45/400532545.db2.gz JQVRZIUMOZQXFJ-ABSDTBQOSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000591474893 400532547 /nfs/dbraw/zinc/53/25/47/400532547.db2.gz JQVRZIUMOZQXFJ-ABSDTBQOSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000591474893 400532554 /nfs/dbraw/zinc/53/25/54/400532554.db2.gz JQVRZIUMOZQXFJ-ABSDTBQOSA-N 2 2 318.505 3.378 20 0 DGADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000075835475 400613891 /nfs/dbraw/zinc/61/38/91/400613891.db2.gz WMZBCKMKMTXSJD-QAPCUYQASA-N 2 2 322.880 3.181 20 0 DGADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000075835475 400613892 /nfs/dbraw/zinc/61/38/92/400613892.db2.gz WMZBCKMKMTXSJD-QAPCUYQASA-N 2 2 322.880 3.181 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H]3C(C)C)c2cc1C ZINC000140610559 400620198 /nfs/dbraw/zinc/62/01/98/400620198.db2.gz VNDDZKOBXIPNTL-FUHWJXTLSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H]3C(C)C)c2cc1C ZINC000140610559 400620200 /nfs/dbraw/zinc/62/02/00/400620200.db2.gz VNDDZKOBXIPNTL-FUHWJXTLSA-N 2 2 315.461 3.134 20 0 DGADLP FC(F)Oc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000052441609 400731301 /nfs/dbraw/zinc/73/13/01/400731301.db2.gz SEVUJZGFLSOVHU-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP c1cnn(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)c1 ZINC000052002925 400713232 /nfs/dbraw/zinc/71/32/32/400713232.db2.gz NZNQSVWXMBRFSQ-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP Cc1cccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052004097 400713657 /nfs/dbraw/zinc/71/36/57/400713657.db2.gz UWHDELNZJWNGJH-UHFFFAOYSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000604756986 400800732 /nfs/dbraw/zinc/80/07/32/400800732.db2.gz QGKXMWKJBDFHNI-UHFFFAOYSA-N 2 2 302.466 3.219 20 0 DGADLP Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000604756986 400800734 /nfs/dbraw/zinc/80/07/34/400800734.db2.gz QGKXMWKJBDFHNI-UHFFFAOYSA-N 2 2 302.466 3.219 20 0 DGADLP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000619425094 400845160 /nfs/dbraw/zinc/84/51/60/400845160.db2.gz LHUMECVEVGHRMZ-AEFFLSMTSA-N 2 2 304.434 3.034 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629515450 400954549 /nfs/dbraw/zinc/95/45/49/400954549.db2.gz TWIJJYKAQSGUMQ-UHFFFAOYSA-N 2 2 314.216 3.429 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629515450 400954557 /nfs/dbraw/zinc/95/45/57/400954557.db2.gz TWIJJYKAQSGUMQ-UHFFFAOYSA-N 2 2 314.216 3.429 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000079879867 400904152 /nfs/dbraw/zinc/90/41/52/400904152.db2.gz BVWZVGZTPFHUFG-CQSZACIVSA-N 2 2 306.454 3.027 20 0 DGADLP O[C@@H](CNc1ccc([NH2+]C2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000629581669 400982051 /nfs/dbraw/zinc/98/20/51/400982051.db2.gz FMVBWCNFGJYAES-IBGZPJMESA-N 2 2 317.477 3.300 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000629585222 400983112 /nfs/dbraw/zinc/98/31/12/400983112.db2.gz NOYBGDXFEULANL-GPJFCIFZSA-N 2 2 316.489 3.149 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000629585222 400983117 /nfs/dbraw/zinc/98/31/17/400983117.db2.gz NOYBGDXFEULANL-GPJFCIFZSA-N 2 2 316.489 3.149 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)CCC2 ZINC000629556558 400973480 /nfs/dbraw/zinc/97/34/80/400973480.db2.gz SHBUBFDQCIFDHW-KURKYZTESA-N 2 2 320.864 3.074 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000629561353 400975863 /nfs/dbraw/zinc/97/58/63/400975863.db2.gz HUORLESCPXLIJG-ZYHUDNBSSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000629561353 400975867 /nfs/dbraw/zinc/97/58/67/400975867.db2.gz HUORLESCPXLIJG-ZYHUDNBSSA-N 2 2 324.749 3.438 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(O)cc2)n1-c1ccccc1 ZINC000081292657 401050321 /nfs/dbraw/zinc/05/03/21/401050321.db2.gz OOEXJUFMYBMBSH-UHFFFAOYSA-N 2 2 307.397 3.219 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000058061169 401041873 /nfs/dbraw/zinc/04/18/73/401041873.db2.gz TUIRWRAXFWLFPR-AWEZNQCLSA-N 2 2 316.474 3.025 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000058061169 401041878 /nfs/dbraw/zinc/04/18/78/401041878.db2.gz TUIRWRAXFWLFPR-AWEZNQCLSA-N 2 2 316.474 3.025 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000599432077 401047865 /nfs/dbraw/zinc/04/78/65/401047865.db2.gz HAKLETJJRZKCLJ-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000599432077 401047871 /nfs/dbraw/zinc/04/78/71/401047871.db2.gz HAKLETJJRZKCLJ-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000599432077 401047878 /nfs/dbraw/zinc/04/78/78/401047878.db2.gz HAKLETJJRZKCLJ-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000599432077 401047885 /nfs/dbraw/zinc/04/78/85/401047885.db2.gz HAKLETJJRZKCLJ-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc[nH+]1 ZINC000081721899 401090801 /nfs/dbraw/zinc/09/08/01/401090801.db2.gz CNIZKWQVWSGCNQ-QGZVFWFLSA-N 2 2 313.376 3.132 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc[nH+]1 ZINC000081721899 401090808 /nfs/dbraw/zinc/09/08/08/401090808.db2.gz CNIZKWQVWSGCNQ-QGZVFWFLSA-N 2 2 313.376 3.132 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)[NH+](C)C ZINC000599973087 401166012 /nfs/dbraw/zinc/16/60/12/401166012.db2.gz OLKKPOMPYQGWNE-HNNXBMFYSA-N 2 2 316.449 3.385 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381644 401194624 /nfs/dbraw/zinc/19/46/24/401194624.db2.gz YGRJLUZTBXYEQP-GOSISDBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381644 401194629 /nfs/dbraw/zinc/19/46/29/401194629.db2.gz YGRJLUZTBXYEQP-GOSISDBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CO2 ZINC000090452920 401266268 /nfs/dbraw/zinc/26/62/68/401266268.db2.gz NYTXMQXGNMUUNX-IBGZPJMESA-N 2 2 323.440 3.078 20 0 DGADLP C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090588519 401269054 /nfs/dbraw/zinc/26/90/54/401269054.db2.gz UWKLQHUJCXXTTH-GDBMZVCRSA-N 2 2 301.434 3.320 20 0 DGADLP COC[C@H](C)[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000626134911 401310371 /nfs/dbraw/zinc/31/03/71/401310371.db2.gz QAKYSFUWTDOTAA-QFBILLFUSA-N 2 2 313.445 3.298 20 0 DGADLP COC[C@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000626134911 401310372 /nfs/dbraw/zinc/31/03/72/401310372.db2.gz QAKYSFUWTDOTAA-QFBILLFUSA-N 2 2 313.445 3.298 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000634678063 401330793 /nfs/dbraw/zinc/33/07/93/401330793.db2.gz HMGNXDZQDPKSIU-GJZGRUSLSA-N 2 2 308.491 3.432 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000626088659 401297016 /nfs/dbraw/zinc/29/70/16/401297016.db2.gz IJSWGFSAZUZBLI-OALUTQOASA-N 2 2 314.473 3.119 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952561 401387259 /nfs/dbraw/zinc/38/72/59/401387259.db2.gz CHSSNSLODXWQOS-IYBDPMFKSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952561 401387262 /nfs/dbraw/zinc/38/72/62/401387262.db2.gz CHSSNSLODXWQOS-IYBDPMFKSA-N 2 2 313.445 3.442 20 0 DGADLP COC1CC[NH+](CC[NH2+]C/C=C\c2cc(C)c(C)cc2C)CC1 ZINC000631084748 401388680 /nfs/dbraw/zinc/38/86/80/401388680.db2.gz DWGPCEMWCOTDLD-WAYWQWQTSA-N 2 2 316.489 3.325 20 0 DGADLP Nc1ccc(-c2cccc(C[NH2+][C@H](C[NH3+])C3CCCCC3)n2)cc1 ZINC000634994518 401397668 /nfs/dbraw/zinc/39/76/68/401397668.db2.gz GJKUDZAQPZRYFU-HXUWFJFHSA-N 2 2 324.472 3.328 20 0 DGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000635376597 401435322 /nfs/dbraw/zinc/43/53/22/401435322.db2.gz RMZPHPBLLQBPPJ-UHFFFAOYSA-N 2 2 314.433 3.004 20 0 DGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000635376597 401435327 /nfs/dbraw/zinc/43/53/27/401435327.db2.gz RMZPHPBLLQBPPJ-UHFFFAOYSA-N 2 2 314.433 3.004 20 0 DGADLP CC(C)C[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)n1cc[nH+]c1 ZINC000635494655 401448599 /nfs/dbraw/zinc/44/85/99/401448599.db2.gz KDRJDCKUFBSDMA-MRXNPFEDSA-N 2 2 323.400 3.499 20 0 DGADLP Cc1cc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc(C)[nH+]1 ZINC000631334264 401453554 /nfs/dbraw/zinc/45/35/54/401453554.db2.gz ACWUDUQLNHETNV-UHFFFAOYSA-N 2 2 321.428 3.429 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N3CCC(C)([NH+]4CCCC4)CC3)c2c1C ZINC000631445748 401471579 /nfs/dbraw/zinc/47/15/79/401471579.db2.gz ZIJIGZOIRNSTRV-UHFFFAOYSA-N 2 2 313.449 3.029 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623384272 401505580 /nfs/dbraw/zinc/50/55/80/401505580.db2.gz VFMKPCWMPAFZQI-SECBINFHSA-N 2 2 321.209 3.157 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588141 401507228 /nfs/dbraw/zinc/50/72/28/401507228.db2.gz ZKWBIEDOBHBATL-ZQIUZPCESA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588141 401507230 /nfs/dbraw/zinc/50/72/30/401507230.db2.gz ZKWBIEDOBHBATL-ZQIUZPCESA-N 2 2 318.461 3.370 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)CC1(C)C ZINC000623520914 401538677 /nfs/dbraw/zinc/53/86/77/401538677.db2.gz AKDCBVVOPQQMFE-HNNXBMFYSA-N 2 2 319.468 3.388 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)CC1(C)C ZINC000623520914 401538678 /nfs/dbraw/zinc/53/86/78/401538678.db2.gz AKDCBVVOPQQMFE-HNNXBMFYSA-N 2 2 319.468 3.388 20 0 DGADLP Cc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cn2cc[nH+]c12 ZINC000635963514 401510240 /nfs/dbraw/zinc/51/02/40/401510240.db2.gz URBGWSZEDKNDHI-HNNXBMFYSA-N 2 2 311.389 3.065 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884535 401563926 /nfs/dbraw/zinc/56/39/26/401563926.db2.gz KRTHBZCDNYVSPK-DZGCQCFKSA-N 2 2 309.251 3.023 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631884535 401563929 /nfs/dbraw/zinc/56/39/29/401563929.db2.gz KRTHBZCDNYVSPK-DZGCQCFKSA-N 2 2 309.251 3.023 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628280384 401566307 /nfs/dbraw/zinc/56/63/07/401566307.db2.gz GOHIYWKGXRREPX-AWEZNQCLSA-N 2 2 323.362 3.471 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628280384 401566310 /nfs/dbraw/zinc/56/63/10/401566310.db2.gz GOHIYWKGXRREPX-AWEZNQCLSA-N 2 2 323.362 3.471 20 0 DGADLP Cc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328737 401577192 /nfs/dbraw/zinc/57/71/92/401577192.db2.gz UKTSFURPUFMGHC-ICSRJNTNSA-N 2 2 316.489 3.285 20 0 DGADLP Cc1ccc([C@@H](C)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328737 401577193 /nfs/dbraw/zinc/57/71/93/401577193.db2.gz UKTSFURPUFMGHC-ICSRJNTNSA-N 2 2 316.489 3.285 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000636582185 401581801 /nfs/dbraw/zinc/58/18/01/401581801.db2.gz XJODLALXEKCVBG-GOSISDBHSA-N 2 2 323.440 3.467 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000636582185 401581805 /nfs/dbraw/zinc/58/18/05/401581805.db2.gz XJODLALXEKCVBG-GOSISDBHSA-N 2 2 323.440 3.467 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCc2scnc21 ZINC000623853766 401588023 /nfs/dbraw/zinc/58/80/23/401588023.db2.gz HCBDSQNPLFNWBO-CQSZACIVSA-N 2 2 312.442 3.468 20 0 DGADLP COCC(C)(C)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000494316128 292197072 /nfs/dbraw/zinc/19/70/72/292197072.db2.gz TUZGGSYFLCQESY-UHFFFAOYSA-N 2 2 304.478 3.086 20 0 DGADLP COCC(C)(C)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000494316128 292197073 /nfs/dbraw/zinc/19/70/73/292197073.db2.gz TUZGGSYFLCQESY-UHFFFAOYSA-N 2 2 304.478 3.086 20 0 DGADLP Cc1c[nH]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000628170381 401540981 /nfs/dbraw/zinc/54/09/81/401540981.db2.gz YAMOKDNRVRODPD-FUHWJXTLSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1c[nH]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000628170381 401540984 /nfs/dbraw/zinc/54/09/84/401540984.db2.gz YAMOKDNRVRODPD-FUHWJXTLSA-N 2 2 312.461 3.203 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575450 401549599 /nfs/dbraw/zinc/54/95/99/401549599.db2.gz AZSHFUHTQIAPNH-SJORKVTESA-N 2 2 324.472 3.322 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575450 401549601 /nfs/dbraw/zinc/54/96/01/401549601.db2.gz AZSHFUHTQIAPNH-SJORKVTESA-N 2 2 324.472 3.322 20 0 DGADLP C[C@H](C[NH2+]CCc1cccc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000628214352 401552376 /nfs/dbraw/zinc/55/23/76/401552376.db2.gz TVQHJHCURZBNLC-GFCCVEGCSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](C[NH2+]CCc1cccc(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000628214352 401552380 /nfs/dbraw/zinc/55/23/80/401552380.db2.gz TVQHJHCURZBNLC-GFCCVEGCSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H]([NH2+]Cc1cnc(C2CC2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000628237061 401557250 /nfs/dbraw/zinc/55/72/50/401557250.db2.gz ZRYCBOYEUKHLFG-ZFWWWQNUSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@H]([NH2+]Cc1cnc(C2CC2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000628237061 401557251 /nfs/dbraw/zinc/55/72/51/401557251.db2.gz ZRYCBOYEUKHLFG-ZFWWWQNUSA-N 2 2 303.450 3.295 20 0 DGADLP COc1cccc(-c2nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)co2)c1 ZINC000631822276 401558908 /nfs/dbraw/zinc/55/89/08/401558908.db2.gz YNFUDQNNLHVNRK-QGZVFWFLSA-N 2 2 317.433 3.155 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)co2)c1 ZINC000631822276 401558910 /nfs/dbraw/zinc/55/89/10/401558910.db2.gz YNFUDQNNLHVNRK-QGZVFWFLSA-N 2 2 317.433 3.155 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1CN1CCOc2ccc(C[NH3+])cc21 ZINC000631830233 401559313 /nfs/dbraw/zinc/55/93/13/401559313.db2.gz NCCXITILOMUQGC-UHFFFAOYSA-N 2 2 311.429 3.371 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858752 401561217 /nfs/dbraw/zinc/56/12/17/401561217.db2.gz CZHQTNXKOKERRA-WBVHZDCISA-N 2 2 323.440 3.104 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858752 401561221 /nfs/dbraw/zinc/56/12/21/401561221.db2.gz CZHQTNXKOKERRA-WBVHZDCISA-N 2 2 323.440 3.104 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624231243 401641831 /nfs/dbraw/zinc/64/18/31/401641831.db2.gz UDQGATIWKGCDLN-KBAYOESNSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624231243 401641834 /nfs/dbraw/zinc/64/18/34/401641834.db2.gz UDQGATIWKGCDLN-KBAYOESNSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624228455 401642026 /nfs/dbraw/zinc/64/20/26/401642026.db2.gz RQCJTPJRJQXKQO-OXQOHEQNSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624228455 401642027 /nfs/dbraw/zinc/64/20/27/401642027.db2.gz RQCJTPJRJQXKQO-OXQOHEQNSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624270321 401645648 /nfs/dbraw/zinc/64/56/48/401645648.db2.gz IIHUVBSMSCGZRF-DOMZBBRYSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624270321 401645650 /nfs/dbraw/zinc/64/56/50/401645650.db2.gz IIHUVBSMSCGZRF-DOMZBBRYSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624332959 401652671 /nfs/dbraw/zinc/65/26/71/401652671.db2.gz DKZIBKDMVYUEJL-JXFKEZNVSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624332959 401652672 /nfs/dbraw/zinc/65/26/72/401652672.db2.gz DKZIBKDMVYUEJL-JXFKEZNVSA-N 2 2 310.441 3.071 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(Cl)c1 ZINC000629395427 401683764 /nfs/dbraw/zinc/68/37/64/401683764.db2.gz CUKRLNRDXZNKRN-RDBSUJKOSA-N 2 2 323.868 3.096 20 0 DGADLP c1ccc(C2(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC000359647006 286353536 /nfs/dbraw/zinc/35/35/36/286353536.db2.gz LBGDPHDHJITWPU-UHFFFAOYSA-N 2 2 321.468 3.367 20 0 DGADLP COC1(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCCC1 ZINC000359664174 286356644 /nfs/dbraw/zinc/35/66/44/286356644.db2.gz PIZDBYNEJXLHAV-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP COC1(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000359664174 286356647 /nfs/dbraw/zinc/35/66/47/286356647.db2.gz PIZDBYNEJXLHAV-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000359679862 286359631 /nfs/dbraw/zinc/35/96/31/286359631.db2.gz PTRSJIPGTRNHOY-FCEWJHQRSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000359679862 286359633 /nfs/dbraw/zinc/35/96/33/286359633.db2.gz PTRSJIPGTRNHOY-FCEWJHQRSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nccn1-c1ccccc1)CCC2 ZINC000359746325 286373081 /nfs/dbraw/zinc/37/30/81/286373081.db2.gz MJGSRUVWTCHYPH-INIZCTEOSA-N 2 2 321.428 3.044 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccc(F)cc2)cc1 ZINC000423310423 286375907 /nfs/dbraw/zinc/37/59/07/286375907.db2.gz AKZZJEBFVIPYFI-RBUKOAKNSA-N 2 2 314.404 3.251 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000359953385 286396143 /nfs/dbraw/zinc/39/61/43/286396143.db2.gz WNCWPJQVTNUQGZ-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000360655502 286515436 /nfs/dbraw/zinc/51/54/36/286515436.db2.gz DENXITJEAJZFNH-LPHOPBHVSA-N 2 2 316.489 3.500 20 0 DGADLP CC(C)=CCC[C@H](C)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360960043 286562745 /nfs/dbraw/zinc/56/27/45/286562745.db2.gz XVSDZQHHVSKAPO-KRWDZBQOSA-N 2 2 304.482 3.300 20 0 DGADLP Cc1nc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000361064072 286588980 /nfs/dbraw/zinc/58/89/80/286588980.db2.gz ZKFKZACYAGTQGX-UHFFFAOYSA-N 2 2 318.490 3.383 20 0 DGADLP CC(C)CC[C@@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361304770 286647047 /nfs/dbraw/zinc/64/70/47/286647047.db2.gz KQFZXPXGUVQNJC-GOSISDBHSA-N 2 2 307.482 3.172 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccsc3Cl)CC2)c1 ZINC000361570705 286691332 /nfs/dbraw/zinc/69/13/32/286691332.db2.gz FLCCBZBLHLFRMZ-UHFFFAOYSA-N 2 2 323.849 3.127 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3C[C@@H](OC(C)C)C3(C)C)c[nH+]c12 ZINC000361916775 286744501 /nfs/dbraw/zinc/74/45/01/286744501.db2.gz OJOSFBZJYNGDSJ-JKSUJKDBSA-N 2 2 301.434 3.324 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000361967050 286752097 /nfs/dbraw/zinc/75/20/97/286752097.db2.gz PLQSWFLJKYHFSR-BFHYXJOUSA-N 2 2 324.440 3.366 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361967985 286752320 /nfs/dbraw/zinc/75/23/20/286752320.db2.gz XXKWJOVSRMDTSU-AEFFLSMTSA-N 2 2 320.502 3.236 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449105331 287013315 /nfs/dbraw/zinc/01/33/15/287013315.db2.gz CZZGQAJCSHANOT-MBOZVWFJSA-N 3 2 321.553 3.349 20 0 DGADLP COc1ccc(C)[nH+]c1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000191514348 165255852 /nfs/dbraw/zinc/25/58/52/165255852.db2.gz SOYGLKNHVUSZJC-UHFFFAOYSA-N 2 2 300.406 3.250 20 0 DGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000191690583 165265476 /nfs/dbraw/zinc/26/54/76/165265476.db2.gz XWUVUKFRXFPIJZ-UHFFFAOYSA-N 2 2 313.323 3.307 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000192933852 165311055 /nfs/dbraw/zinc/31/10/55/165311055.db2.gz YZVIUKHOWIHVNK-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000192933852 165311061 /nfs/dbraw/zinc/31/10/61/165311061.db2.gz YZVIUKHOWIHVNK-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000192956666 165312849 /nfs/dbraw/zinc/31/28/49/165312849.db2.gz ZYPOAIPSFMDAFM-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000192956666 165312853 /nfs/dbraw/zinc/31/28/53/165312853.db2.gz ZYPOAIPSFMDAFM-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000192961575 165313275 /nfs/dbraw/zinc/31/32/75/165313275.db2.gz IDWAGJMXYWHVFY-RHSMWYFYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000192961575 165313278 /nfs/dbraw/zinc/31/32/78/165313278.db2.gz IDWAGJMXYWHVFY-RHSMWYFYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000192961575 165313283 /nfs/dbraw/zinc/31/32/83/165313283.db2.gz IDWAGJMXYWHVFY-RHSMWYFYSA-N 2 2 318.436 3.283 20 0 DGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000193124640 165318596 /nfs/dbraw/zinc/31/85/96/165318596.db2.gz NQPCSSGCVFQWEG-MAUKXSAKSA-N 2 2 301.478 3.460 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000193466358 165326623 /nfs/dbraw/zinc/32/66/23/165326623.db2.gz TZBVJCJQVUCOEN-UHFFFAOYSA-N 2 2 302.462 3.313 20 0 DGADLP COc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1C ZINC000194257472 165341085 /nfs/dbraw/zinc/34/10/85/165341085.db2.gz OOBVNAGJNORPBM-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000194234487 165341665 /nfs/dbraw/zinc/34/16/65/165341665.db2.gz XZDAZHDKJUMRDS-GOSISDBHSA-N 2 2 304.409 3.072 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000194978280 165358412 /nfs/dbraw/zinc/35/84/12/165358412.db2.gz GBPCPHOLBQPJOF-MRXNPFEDSA-N 2 2 312.461 3.218 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)CC1 ZINC000194953725 165358489 /nfs/dbraw/zinc/35/84/89/165358489.db2.gz QKAAIRMKXSYWMJ-OAHLLOKOSA-N 2 2 322.415 3.009 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOCC(F)(F)F)C2)CC1 ZINC000194953725 165358491 /nfs/dbraw/zinc/35/84/91/165358491.db2.gz QKAAIRMKXSYWMJ-OAHLLOKOSA-N 2 2 322.415 3.009 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000224570271 165381351 /nfs/dbraw/zinc/38/13/51/165381351.db2.gz OAXRRZIZZQFITG-LLVKDONJSA-N 2 2 317.658 3.286 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000224570271 165381353 /nfs/dbraw/zinc/38/13/53/165381353.db2.gz OAXRRZIZZQFITG-LLVKDONJSA-N 2 2 317.658 3.286 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CS1 ZINC000365384075 287126409 /nfs/dbraw/zinc/12/64/09/287126409.db2.gz JQFAPKYILWJKQB-HUUCEWRRSA-N 2 2 316.474 3.277 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261568532 287141968 /nfs/dbraw/zinc/14/19/68/287141968.db2.gz JHKLZXIOZRCHNL-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261568532 287141969 /nfs/dbraw/zinc/14/19/69/287141969.db2.gz JHKLZXIOZRCHNL-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP Clc1nccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000365659577 287159457 /nfs/dbraw/zinc/15/94/57/287159457.db2.gz MZOXDVYVJVSKEM-LBPRGKRZSA-N 2 2 311.216 3.422 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000365633182 287156432 /nfs/dbraw/zinc/15/64/32/287156432.db2.gz CNPQGWFTWHGQGC-CYBMUJFWSA-N 2 2 312.373 3.048 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000365633182 287156434 /nfs/dbraw/zinc/15/64/34/287156434.db2.gz CNPQGWFTWHGQGC-CYBMUJFWSA-N 2 2 312.373 3.048 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000171613017 432152271 /nfs/dbraw/zinc/15/22/71/432152271.db2.gz GBSXQQQCNYJSSX-UHFFFAOYSA-N 2 2 323.849 3.127 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000246743652 432160256 /nfs/dbraw/zinc/16/02/56/432160256.db2.gz WXYIBGKCEOLGJK-DOTOQJQBSA-N 2 2 312.461 3.116 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000246743652 432160260 /nfs/dbraw/zinc/16/02/60/432160260.db2.gz WXYIBGKCEOLGJK-DOTOQJQBSA-N 2 2 312.461 3.116 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129437684 196048371 /nfs/dbraw/zinc/04/83/71/196048371.db2.gz OZNNYTZMHWJZQP-JTQLQIEISA-N 2 2 301.287 3.219 20 0 DGADLP Cc1ccc2c(C[NH+]3CCC([NH2+]C(C)C)CC3)cc(=O)oc2c1 ZINC000171692356 432160981 /nfs/dbraw/zinc/16/09/81/432160981.db2.gz QXBPCLZOVJAXER-UHFFFAOYSA-N 2 2 314.429 3.064 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246896177 432177485 /nfs/dbraw/zinc/17/74/85/432177485.db2.gz BWVVDCHHGHRBBI-QFBILLFUSA-N 2 2 320.452 3.321 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246896177 432177488 /nfs/dbraw/zinc/17/74/88/432177488.db2.gz BWVVDCHHGHRBBI-QFBILLFUSA-N 2 2 320.452 3.321 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000269514053 432180674 /nfs/dbraw/zinc/18/06/74/432180674.db2.gz JLMVKPJANYTBRY-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000269514053 432180680 /nfs/dbraw/zinc/18/06/80/432180680.db2.gz JLMVKPJANYTBRY-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000269514053 432180683 /nfs/dbraw/zinc/18/06/83/432180683.db2.gz JLMVKPJANYTBRY-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000269514053 432180685 /nfs/dbraw/zinc/18/06/85/432180685.db2.gz JLMVKPJANYTBRY-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246856080 432173733 /nfs/dbraw/zinc/17/37/33/432173733.db2.gz PHODZVZXZMNMCH-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246856080 432173735 /nfs/dbraw/zinc/17/37/35/432173735.db2.gz PHODZVZXZMNMCH-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246856080 432173743 /nfs/dbraw/zinc/17/37/43/432173743.db2.gz PHODZVZXZMNMCH-KBXCAEBGSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000246974313 432186220 /nfs/dbraw/zinc/18/62/20/432186220.db2.gz INOZJRUNSNGIBO-XLSIIYIISA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000246974313 432186225 /nfs/dbraw/zinc/18/62/25/432186225.db2.gz INOZJRUNSNGIBO-XLSIIYIISA-N 2 2 314.473 3.054 20 0 DGADLP Cc1ccncc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269591366 432186441 /nfs/dbraw/zinc/18/64/41/432186441.db2.gz IKLDAKBOURTYGS-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccncc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269591366 432186443 /nfs/dbraw/zinc/18/64/43/432186443.db2.gz IKLDAKBOURTYGS-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccncc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000269591366 432186449 /nfs/dbraw/zinc/18/64/49/432186449.db2.gz IKLDAKBOURTYGS-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccncc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000269591366 432186451 /nfs/dbraw/zinc/18/64/51/432186451.db2.gz IKLDAKBOURTYGS-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150782038 432192485 /nfs/dbraw/zinc/19/24/85/432192485.db2.gz QWQHGMCFFVGQJR-AWEZNQCLSA-N 2 2 310.388 3.206 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150782038 432192489 /nfs/dbraw/zinc/19/24/89/432192489.db2.gz QWQHGMCFFVGQJR-AWEZNQCLSA-N 2 2 310.388 3.206 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000150898803 432199719 /nfs/dbraw/zinc/19/97/19/432199719.db2.gz IRMKXPBKRSSQSU-OAGGEKHMSA-N 2 2 308.491 3.290 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1SC ZINC000150800364 432193914 /nfs/dbraw/zinc/19/39/14/432193914.db2.gz KURULXKSIOWLIH-INIZCTEOSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1SC ZINC000150800364 432193918 /nfs/dbraw/zinc/19/39/18/432193918.db2.gz KURULXKSIOWLIH-INIZCTEOSA-N 2 2 320.502 3.335 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000182492163 432195376 /nfs/dbraw/zinc/19/53/76/432195376.db2.gz VHSZFNQLRNWSGX-JXFKEZNVSA-N 2 2 324.472 3.470 20 0 DGADLP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000150891531 432200144 /nfs/dbraw/zinc/20/01/44/432200144.db2.gz SRARGIGDBQZPDG-INIZCTEOSA-N 2 2 300.450 3.117 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000247062470 432198012 /nfs/dbraw/zinc/19/80/12/432198012.db2.gz MOGSSJWQPMZQJI-KBAYOESNSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000247062470 432198017 /nfs/dbraw/zinc/19/80/17/432198017.db2.gz MOGSSJWQPMZQJI-KBAYOESNSA-N 2 2 319.518 3.167 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000247119607 432203282 /nfs/dbraw/zinc/20/32/82/432203282.db2.gz JNASXRARKKJIMY-TZMCWYRMSA-N 2 2 315.421 3.104 20 0 DGADLP CC(C)C[N@@H+]1CC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000130643141 196097654 /nfs/dbraw/zinc/09/76/54/196097654.db2.gz IVUKBOLWHMKVTJ-LBPRGKRZSA-N 2 2 301.356 3.490 20 0 DGADLP CC(C)C[N@H+]1CC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000130643141 196097656 /nfs/dbraw/zinc/09/76/56/196097656.db2.gz IVUKBOLWHMKVTJ-LBPRGKRZSA-N 2 2 301.356 3.490 20 0 DGADLP c1c(CC[NH2+][C@H]2CCCOc3ccccc32)[nH+]c2ccccn12 ZINC000130641872 196097949 /nfs/dbraw/zinc/09/79/49/196097949.db2.gz ZDOXNIBDTUSHBS-KRWDZBQOSA-N 2 2 307.397 3.380 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000247119607 432203287 /nfs/dbraw/zinc/20/32/87/432203287.db2.gz JNASXRARKKJIMY-TZMCWYRMSA-N 2 2 315.421 3.104 20 0 DGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000130677059 196100528 /nfs/dbraw/zinc/10/05/28/196100528.db2.gz WSDBRGXWQLMYMZ-UHFFFAOYSA-N 2 2 323.444 3.156 20 0 DGADLP Cc1cnn(-c2cc[nH+]cc2NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000182671212 432216002 /nfs/dbraw/zinc/21/60/02/432216002.db2.gz AIAVCOQMUKJOAY-UHFFFAOYSA-N 2 2 318.384 3.144 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000172553578 432219637 /nfs/dbraw/zinc/21/96/37/432219637.db2.gz RBQYPJZNYFJJNO-SJORKVTESA-N 2 2 301.434 3.138 20 0 DGADLP C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713410 432220619 /nfs/dbraw/zinc/22/06/19/432220619.db2.gz VYUWFFDQIVCCTG-PBHICJAKSA-N 2 2 315.392 3.178 20 0 DGADLP C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713410 432220622 /nfs/dbraw/zinc/22/06/22/432220622.db2.gz VYUWFFDQIVCCTG-PBHICJAKSA-N 2 2 315.392 3.178 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC[C@@H]1C ZINC000132057990 196222700 /nfs/dbraw/zinc/22/27/00/196222700.db2.gz XUAWAUDQTVOVEP-FRQCXROJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cncc(F)c1 ZINC000132259591 196239870 /nfs/dbraw/zinc/23/98/70/196239870.db2.gz PCLZXKMAFVWCPS-OAHLLOKOSA-N 2 2 324.403 3.359 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@@H+]1C ZINC000132306862 196244326 /nfs/dbraw/zinc/24/43/26/196244326.db2.gz OOGIRNFBNIXMKO-WBVHZDCISA-N 2 2 317.477 3.365 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@H+]1C ZINC000132306862 196244328 /nfs/dbraw/zinc/24/43/28/196244328.db2.gz OOGIRNFBNIXMKO-WBVHZDCISA-N 2 2 317.477 3.365 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000132798021 196284703 /nfs/dbraw/zinc/28/47/03/196284703.db2.gz MOCGMJWHUMRLMB-KBPBESRZSA-N 2 2 324.415 3.116 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000295802637 225255062 /nfs/dbraw/zinc/25/50/62/225255062.db2.gz CGCWXVVSXYFJDU-APWZRJJASA-N 2 2 324.472 3.492 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000295802637 225255065 /nfs/dbraw/zinc/25/50/65/225255065.db2.gz CGCWXVVSXYFJDU-APWZRJJASA-N 2 2 324.472 3.492 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2nccn21 ZINC000296033975 225493973 /nfs/dbraw/zinc/49/39/73/225493973.db2.gz QIIBHBVEZUDTCM-MAUKXSAKSA-N 2 2 310.445 3.275 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357202 227057697 /nfs/dbraw/zinc/05/76/97/227057697.db2.gz PNFCBJLLYGDPMO-OXJNMPFZSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357202 227057705 /nfs/dbraw/zinc/05/77/05/227057705.db2.gz PNFCBJLLYGDPMO-OXJNMPFZSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645869 227104053 /nfs/dbraw/zinc/10/40/53/227104053.db2.gz QIZRSYILQHWCLE-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645869 227104063 /nfs/dbraw/zinc/10/40/63/227104063.db2.gz QIZRSYILQHWCLE-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000290359237 221599581 /nfs/dbraw/zinc/59/95/81/221599581.db2.gz MOYQIEAONUSGCA-KSSFIOAISA-N 2 2 302.393 3.173 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000290642456 221809381 /nfs/dbraw/zinc/80/93/81/221809381.db2.gz JPPGQAPETSIULK-OAHLLOKOSA-N 2 2 321.465 3.216 20 0 DGADLP Fc1ccccc1N1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000291100445 222137376 /nfs/dbraw/zinc/13/73/76/222137376.db2.gz ZVIWPIWHFUVVKR-HNNXBMFYSA-N 2 2 324.403 3.090 20 0 DGADLP Cc1cccc(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)[nH+]1 ZINC000302241873 230195086 /nfs/dbraw/zinc/19/50/86/230195086.db2.gz ONECDCMIUHMGHE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cccc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)[nH+]1 ZINC000302241873 230195092 /nfs/dbraw/zinc/19/50/92/230195092.db2.gz ONECDCMIUHMGHE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cccc(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)[nH+]1 ZINC000302241873 230195097 /nfs/dbraw/zinc/19/50/97/230195097.db2.gz ONECDCMIUHMGHE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cccc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)[nH+]1 ZINC000302241873 230195100 /nfs/dbraw/zinc/19/51/00/230195100.db2.gz ONECDCMIUHMGHE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000346356072 264016819 /nfs/dbraw/zinc/01/68/19/264016819.db2.gz CDCYAIWCUONRHO-ZIAGYGMSSA-N 2 2 322.415 3.198 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CCC2)cc1 ZINC000346371437 264019710 /nfs/dbraw/zinc/01/97/10/264019710.db2.gz UHYGTBFHOUNVFB-HNAYVOBHSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CCC2)cc1 ZINC000346371437 264019712 /nfs/dbraw/zinc/01/97/12/264019712.db2.gz UHYGTBFHOUNVFB-HNAYVOBHSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)CCC2)cc1 ZINC000346371435 264020344 /nfs/dbraw/zinc/02/03/44/264020344.db2.gz UHYGTBFHOUNVFB-BEFAXECRSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)CCC2)cc1 ZINC000346371435 264020346 /nfs/dbraw/zinc/02/03/46/264020346.db2.gz UHYGTBFHOUNVFB-BEFAXECRSA-N 2 2 314.473 3.189 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346452583 264034853 /nfs/dbraw/zinc/03/48/53/264034853.db2.gz QZOLMDJQHXXKSY-QRQLOZEOSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346452583 264034854 /nfs/dbraw/zinc/03/48/54/264034854.db2.gz QZOLMDJQHXXKSY-QRQLOZEOSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000346690632 264080764 /nfs/dbraw/zinc/08/07/64/264080764.db2.gz UHUBWDCAGGXTMY-QGZVFWFLSA-N 2 2 307.457 3.231 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000346690632 264080766 /nfs/dbraw/zinc/08/07/66/264080766.db2.gz UHUBWDCAGGXTMY-QGZVFWFLSA-N 2 2 307.457 3.231 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697136 264081644 /nfs/dbraw/zinc/08/16/44/264081644.db2.gz AJQIFRUJWDLVJH-ISTRZQFTSA-N 2 2 308.853 3.242 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697136 264081648 /nfs/dbraw/zinc/08/16/48/264081648.db2.gz AJQIFRUJWDLVJH-ISTRZQFTSA-N 2 2 308.853 3.242 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346823049 264103602 /nfs/dbraw/zinc/10/36/02/264103602.db2.gz JYCRDLJAEDLCRX-JKSUJKDBSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346823049 264103603 /nfs/dbraw/zinc/10/36/03/264103603.db2.gz JYCRDLJAEDLCRX-JKSUJKDBSA-N 2 2 321.896 3.018 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(OCCC(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000346857704 264109804 /nfs/dbraw/zinc/10/98/04/264109804.db2.gz XNUQVMWBLSRTDI-MJGOQNOKSA-N 2 2 320.477 3.050 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(OCCC(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000346857704 264109807 /nfs/dbraw/zinc/10/98/07/264109807.db2.gz XNUQVMWBLSRTDI-MJGOQNOKSA-N 2 2 320.477 3.050 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(OCCC(C)C)cc2)[C@H](C[NH3+])C1 ZINC000346857699 264109957 /nfs/dbraw/zinc/10/99/57/264109957.db2.gz XNUQVMWBLSRTDI-HKUYNNGSSA-N 2 2 320.477 3.050 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(OCCC(C)C)cc2)[C@H](C[NH3+])C1 ZINC000346857699 264109958 /nfs/dbraw/zinc/10/99/58/264109958.db2.gz XNUQVMWBLSRTDI-HKUYNNGSSA-N 2 2 320.477 3.050 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OCC ZINC000347032966 264143918 /nfs/dbraw/zinc/14/39/18/264143918.db2.gz AMCGEZCYNFZXCP-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OCC ZINC000347032966 264143920 /nfs/dbraw/zinc/14/39/20/264143920.db2.gz AMCGEZCYNFZXCP-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036665 264145012 /nfs/dbraw/zinc/14/50/12/264145012.db2.gz HDXOHXCHXGLMJC-SUMWQHHRSA-N 2 2 318.852 3.227 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036665 264145016 /nfs/dbraw/zinc/14/50/16/264145016.db2.gz HDXOHXCHXGLMJC-SUMWQHHRSA-N 2 2 318.852 3.227 20 0 DGADLP C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)C1CC[NH2+]CC1 ZINC000347091724 264154773 /nfs/dbraw/zinc/15/47/73/264154773.db2.gz GGFFHFJTUNOLBU-UHFFFAOYSA-N 2 2 305.422 3.133 20 0 DGADLP C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)C1CC[NH2+]CC1 ZINC000347091724 264154774 /nfs/dbraw/zinc/15/47/74/264154774.db2.gz GGFFHFJTUNOLBU-UHFFFAOYSA-N 2 2 305.422 3.133 20 0 DGADLP FC(F)Oc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000347094588 264155492 /nfs/dbraw/zinc/15/54/92/264155492.db2.gz HWWVPMZLIDVKOX-UHFFFAOYSA-N 2 2 310.388 3.252 20 0 DGADLP CCC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C1CC[NH2+]CC1 ZINC000347111777 264158738 /nfs/dbraw/zinc/15/87/38/264158738.db2.gz OSGMIDKLYKTMIV-ZDUSSCGKSA-N 2 2 307.507 3.232 20 0 DGADLP CCC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C1CC[NH2+]CC1 ZINC000347111777 264158740 /nfs/dbraw/zinc/15/87/40/264158740.db2.gz OSGMIDKLYKTMIV-ZDUSSCGKSA-N 2 2 307.507 3.232 20 0 DGADLP C[N@H+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000347259240 264184520 /nfs/dbraw/zinc/18/45/20/264184520.db2.gz YJDASOZNIARNEJ-IRFCIJBXSA-N 2 2 321.468 3.346 20 0 DGADLP C[N@@H+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000347259240 264184522 /nfs/dbraw/zinc/18/45/22/264184522.db2.gz YJDASOZNIARNEJ-IRFCIJBXSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000347259240 264184523 /nfs/dbraw/zinc/18/45/23/264184523.db2.gz YJDASOZNIARNEJ-IRFCIJBXSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000347259240 264184525 /nfs/dbraw/zinc/18/45/25/264184525.db2.gz YJDASOZNIARNEJ-IRFCIJBXSA-N 2 2 321.468 3.346 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347309137 264194315 /nfs/dbraw/zinc/19/43/15/264194315.db2.gz VHFXZNWBCQHFJD-OHSMVPPVSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347309137 264194318 /nfs/dbraw/zinc/19/43/18/264194318.db2.gz VHFXZNWBCQHFJD-OHSMVPPVSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347309142 264194476 /nfs/dbraw/zinc/19/44/76/264194476.db2.gz VHFXZNWBCQHFJD-VOBGVNJCSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347309142 264194478 /nfs/dbraw/zinc/19/44/78/264194478.db2.gz VHFXZNWBCQHFJD-VOBGVNJCSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1cc[nH+]c1 ZINC000347398589 264214072 /nfs/dbraw/zinc/21/40/72/264214072.db2.gz YBTZKYWFQHHABI-LBPRGKRZSA-N 2 2 320.234 3.092 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1cc[nH+]c1 ZINC000347398589 264214073 /nfs/dbraw/zinc/21/40/73/264214073.db2.gz YBTZKYWFQHHABI-LBPRGKRZSA-N 2 2 320.234 3.092 20 0 DGADLP CN(C)c1ccccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000347775100 264281967 /nfs/dbraw/zinc/28/19/67/264281967.db2.gz IAIRRSREDROWIA-UHFFFAOYSA-N 2 2 322.456 3.362 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000347901618 264302495 /nfs/dbraw/zinc/30/24/95/264302495.db2.gz LILCVNPRVIRQMF-LPHOPBHVSA-N 3 2 303.494 3.423 20 0 DGADLP C[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccccc1 ZINC000347929795 264308696 /nfs/dbraw/zinc/30/86/96/264308696.db2.gz SGDRGGHUUHDAGI-GUYCJALGSA-N 2 2 301.459 3.398 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccccc1 ZINC000347929795 264308697 /nfs/dbraw/zinc/30/86/97/264308697.db2.gz SGDRGGHUUHDAGI-GUYCJALGSA-N 2 2 301.459 3.398 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047556 264328916 /nfs/dbraw/zinc/32/89/16/264328916.db2.gz SWBSRQBFYUWVAZ-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047556 264328917 /nfs/dbraw/zinc/32/89/17/264328917.db2.gz SWBSRQBFYUWVAZ-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047556 264328919 /nfs/dbraw/zinc/32/89/19/264328919.db2.gz SWBSRQBFYUWVAZ-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047556 264328920 /nfs/dbraw/zinc/32/89/20/264328920.db2.gz SWBSRQBFYUWVAZ-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150717 264353446 /nfs/dbraw/zinc/35/34/46/264353446.db2.gz FTQNPAONPISYCX-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150717 264353448 /nfs/dbraw/zinc/35/34/48/264353448.db2.gz FTQNPAONPISYCX-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150717 264353449 /nfs/dbraw/zinc/35/34/49/264353449.db2.gz FTQNPAONPISYCX-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150717 264353451 /nfs/dbraw/zinc/35/34/51/264353451.db2.gz FTQNPAONPISYCX-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000348183501 264359122 /nfs/dbraw/zinc/35/91/22/264359122.db2.gz CMSPRLVZOTYBEL-NRAUKZCXSA-N 2 2 303.356 3.012 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348219811 264367713 /nfs/dbraw/zinc/36/77/13/264367713.db2.gz DSFAWTCNGWHYCE-KBAYOESNSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348219811 264367717 /nfs/dbraw/zinc/36/77/17/264367717.db2.gz DSFAWTCNGWHYCE-KBAYOESNSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348243103 264372806 /nfs/dbraw/zinc/37/28/06/264372806.db2.gz LEZQXYLQFIANKG-RYRKJORJSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348243103 264372807 /nfs/dbraw/zinc/37/28/07/264372807.db2.gz LEZQXYLQFIANKG-RYRKJORJSA-N 2 2 319.518 3.025 20 0 DGADLP Cc1nc(C2([NH2+]CCCCn3cc[nH+]c3C)CCCCC2)no1 ZINC000348257326 264376355 /nfs/dbraw/zinc/37/63/55/264376355.db2.gz RIHBCUGPJRSYBU-UHFFFAOYSA-N 2 2 317.437 3.112 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348260687 264377157 /nfs/dbraw/zinc/37/71/57/264377157.db2.gz DUIFNYQNIBOPGV-HKUYNNGSSA-N 2 2 316.489 3.269 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000348266225 264378633 /nfs/dbraw/zinc/37/86/33/264378633.db2.gz HGRUGXAXSIPEGQ-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000348266225 264378635 /nfs/dbraw/zinc/37/86/35/264378635.db2.gz HGRUGXAXSIPEGQ-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000348266225 264378637 /nfs/dbraw/zinc/37/86/37/264378637.db2.gz HGRUGXAXSIPEGQ-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000348266225 264378639 /nfs/dbraw/zinc/37/86/39/264378639.db2.gz HGRUGXAXSIPEGQ-HNNXBMFYSA-N 2 2 315.486 3.460 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000348302053 264384472 /nfs/dbraw/zinc/38/44/72/264384472.db2.gz LILWQLGNNJLKNP-HOTGVXAUSA-N 2 2 321.513 3.023 20 0 DGADLP CC[C@@H]1CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000348374993 264398847 /nfs/dbraw/zinc/39/88/47/264398847.db2.gz GWMMSUYODKMGJV-PBHICJAKSA-N 2 2 302.466 3.213 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc2cccnc12 ZINC000349153778 264494207 /nfs/dbraw/zinc/49/42/07/264494207.db2.gz SPMFNOSWZRUDCF-KRWDZBQOSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc2cccnc12 ZINC000349153778 264494209 /nfs/dbraw/zinc/49/42/09/264494209.db2.gz SPMFNOSWZRUDCF-KRWDZBQOSA-N 2 2 306.413 3.266 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)c2)c[nH+]1 ZINC000349184304 264496981 /nfs/dbraw/zinc/49/69/81/264496981.db2.gz HKLYABKOFJXFPA-RCCFBDPRSA-N 2 2 307.422 3.362 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848416 264835170 /nfs/dbraw/zinc/83/51/70/264835170.db2.gz COIKJRRFPXDMBX-GDBMZVCRSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848416 264835174 /nfs/dbraw/zinc/83/51/74/264835174.db2.gz COIKJRRFPXDMBX-GDBMZVCRSA-N 2 2 315.486 3.097 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000351922973 264857907 /nfs/dbraw/zinc/85/79/07/264857907.db2.gz NOMKSHNLHDODPJ-UHFFFAOYSA-N 2 2 306.454 3.281 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000352113381 264935085 /nfs/dbraw/zinc/93/50/85/264935085.db2.gz HXZNTTRHCAOWLB-MRXNPFEDSA-N 2 2 321.424 3.358 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCCC34CCC4)CC2)cc1 ZINC000352412499 265039198 /nfs/dbraw/zinc/03/91/98/265039198.db2.gz GBWZOOCFLXSASY-UHFFFAOYSA-N 2 2 313.489 3.217 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCCC34CCC4)CC2)cc1 ZINC000352412499 265039199 /nfs/dbraw/zinc/03/91/99/265039199.db2.gz GBWZOOCFLXSASY-UHFFFAOYSA-N 2 2 313.489 3.217 20 0 DGADLP CC[C@]1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452356 265055285 /nfs/dbraw/zinc/05/52/85/265055285.db2.gz FERQLIOGCCPKTG-OXFYSEKESA-N 2 2 314.473 3.079 20 0 DGADLP CC[C@]1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452356 265055286 /nfs/dbraw/zinc/05/52/86/265055286.db2.gz FERQLIOGCCPKTG-OXFYSEKESA-N 2 2 314.473 3.079 20 0 DGADLP Clc1ccc2cccnc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541340 265082883 /nfs/dbraw/zinc/08/28/83/265082883.db2.gz WSRXBIJWJSYUIN-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1ccc2cccnc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541340 265082886 /nfs/dbraw/zinc/08/28/86/265082886.db2.gz WSRXBIJWJSYUIN-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000352732999 265144854 /nfs/dbraw/zinc/14/48/54/265144854.db2.gz BAWLRLYZIOJKMV-UZLBHIALSA-N 2 2 309.457 3.254 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000352732999 265144855 /nfs/dbraw/zinc/14/48/55/265144855.db2.gz BAWLRLYZIOJKMV-UZLBHIALSA-N 2 2 309.457 3.254 20 0 DGADLP CCc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cn1 ZINC000352746111 265149157 /nfs/dbraw/zinc/14/91/57/265149157.db2.gz AOLXAJOUQBFDLI-UHFFFAOYSA-N 2 2 308.429 3.253 20 0 DGADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1nc(C)cs1 ZINC000352752994 265152290 /nfs/dbraw/zinc/15/22/90/265152290.db2.gz BPHZDXMXHNWNOD-LBPRGKRZSA-N 2 2 310.492 3.211 20 0 DGADLP CC(C)Oc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352782446 265164367 /nfs/dbraw/zinc/16/43/67/265164367.db2.gz VCVZITBZLPMXKM-UHFFFAOYSA-N 2 2 319.474 3.282 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cn1 ZINC000352795092 265171534 /nfs/dbraw/zinc/17/15/34/265171534.db2.gz JGLAZNXWIXCTNA-DZGCQCFKSA-N 2 2 302.397 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000352819196 265181321 /nfs/dbraw/zinc/18/13/21/265181321.db2.gz VVZBUKVATVMJRF-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000352819196 265181325 /nfs/dbraw/zinc/18/13/25/265181325.db2.gz VVZBUKVATVMJRF-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000352819196 265181329 /nfs/dbraw/zinc/18/13/29/265181329.db2.gz VVZBUKVATVMJRF-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000352819196 265181333 /nfs/dbraw/zinc/18/13/33/265181333.db2.gz VVZBUKVATVMJRF-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)on1 ZINC000352828079 265185280 /nfs/dbraw/zinc/18/52/80/265185280.db2.gz XAEIJUDKBBETBV-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)on1 ZINC000352828079 265185287 /nfs/dbraw/zinc/18/52/87/265185287.db2.gz XAEIJUDKBBETBV-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)on1 ZINC000352828079 265185291 /nfs/dbraw/zinc/18/52/91/265185291.db2.gz XAEIJUDKBBETBV-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)on1 ZINC000352828079 265185296 /nfs/dbraw/zinc/18/52/96/265185296.db2.gz XAEIJUDKBBETBV-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000352842736 265194795 /nfs/dbraw/zinc/19/47/95/265194795.db2.gz XDYCQCYZSXAWRL-UHFFFAOYSA-N 2 2 316.367 3.375 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000352962560 265247709 /nfs/dbraw/zinc/24/77/09/265247709.db2.gz CXUPMALHFOMCPJ-OAUYIBNBSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000352962556 265248111 /nfs/dbraw/zinc/24/81/11/265248111.db2.gz CXUPMALHFOMCPJ-CSMYWGQOSA-N 2 2 304.409 3.112 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+]CCc2cc[nH+]cc2C)c2ccccc2C1 ZINC000352989535 265256559 /nfs/dbraw/zinc/25/65/59/265256559.db2.gz MAOWAAQLVJUIPD-FQEVSTJZSA-N 2 2 323.440 3.016 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2conc2Cc2ccccc2)CC1 ZINC000353205744 265343055 /nfs/dbraw/zinc/34/30/55/265343055.db2.gz QARILKXBZDRBGR-GOSISDBHSA-N 2 2 313.445 3.182 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2conc2Cc2ccccc2)CC1 ZINC000353205744 265343056 /nfs/dbraw/zinc/34/30/56/265343056.db2.gz QARILKXBZDRBGR-GOSISDBHSA-N 2 2 313.445 3.182 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000353228303 265353173 /nfs/dbraw/zinc/35/31/73/265353173.db2.gz CTQNBPJJKIKGPM-UMVBOHGHSA-N 2 2 302.418 3.260 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000353228303 265353177 /nfs/dbraw/zinc/35/31/77/265353177.db2.gz CTQNBPJJKIKGPM-UMVBOHGHSA-N 2 2 302.418 3.260 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236725 265357497 /nfs/dbraw/zinc/35/74/97/265357497.db2.gz RJEQXYWHJTVZSR-GDBMZVCRSA-N 2 2 318.452 3.147 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236725 265357501 /nfs/dbraw/zinc/35/75/01/265357501.db2.gz RJEQXYWHJTVZSR-GDBMZVCRSA-N 2 2 318.452 3.147 20 0 DGADLP CC(C)[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cn1 ZINC000353342337 265396096 /nfs/dbraw/zinc/39/60/96/265396096.db2.gz DDYHGFLFWXQFFX-SFHVURJKSA-N 2 2 316.424 3.283 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000353383996 265410946 /nfs/dbraw/zinc/41/09/46/265410946.db2.gz RKIGNAUQKLSPGQ-ZDUSSCGKSA-N 2 2 320.408 3.333 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000353455048 265434416 /nfs/dbraw/zinc/43/44/16/265434416.db2.gz NUKRUFBCEZSRNB-LBPRGKRZSA-N 2 2 310.463 3.060 20 0 DGADLP C[NH+](C)CCc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1 ZINC000629731015 424820703 /nfs/dbraw/zinc/82/07/03/424820703.db2.gz CZUUKBIQNCMCBH-UHFFFAOYSA-N 2 2 313.445 3.037 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000355254353 266017057 /nfs/dbraw/zinc/01/70/57/266017057.db2.gz NFJQYXXDSKFFJK-VQIMIIECSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000355254353 266017061 /nfs/dbraw/zinc/01/70/61/266017061.db2.gz NFJQYXXDSKFFJK-VQIMIIECSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000356276604 266340507 /nfs/dbraw/zinc/34/05/07/266340507.db2.gz IXKQOUSBIDPGES-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000356276604 266340510 /nfs/dbraw/zinc/34/05/10/266340510.db2.gz IXKQOUSBIDPGES-HIFRSBDPSA-N 2 2 301.459 3.382 20 0 DGADLP c1cn2c(cccc2CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)[nH+]1 ZINC000356301796 266347167 /nfs/dbraw/zinc/34/71/67/266347167.db2.gz LBFJCTSGMYMBSL-QGZVFWFLSA-N 2 2 318.424 3.319 20 0 DGADLP c1cn2c(cccc2CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)[nH+]1 ZINC000356301796 266347168 /nfs/dbraw/zinc/34/71/68/266347168.db2.gz LBFJCTSGMYMBSL-QGZVFWFLSA-N 2 2 318.424 3.319 20 0 DGADLP C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)C1CC[NH+](C)CC1 ZINC000623969318 425122152 /nfs/dbraw/zinc/12/21/52/425122152.db2.gz BHJBPDDWCZWZCD-CYBMUJFWSA-N 2 2 309.417 3.025 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2nccn2C)CC1 ZINC000182979998 432246608 /nfs/dbraw/zinc/24/66/08/432246608.db2.gz RIKRLYSJGHHYKY-JKSUJKDBSA-N 2 2 312.461 3.296 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1nccn1C ZINC000182979979 432247005 /nfs/dbraw/zinc/24/70/05/432247005.db2.gz RIKRLYSJGHHYKY-HOTGVXAUSA-N 2 2 312.461 3.296 20 0 DGADLP Cc1ccc(C(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000359870156 271004479 /nfs/dbraw/zinc/00/44/79/271004479.db2.gz DVECLJACEYJZRH-GOSISDBHSA-N 2 2 302.462 3.374 20 0 DGADLP Cc1ccc(C(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000359870156 271004482 /nfs/dbraw/zinc/00/44/82/271004482.db2.gz DVECLJACEYJZRH-GOSISDBHSA-N 2 2 302.462 3.374 20 0 DGADLP Cc1ccc(C(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000359870156 271004485 /nfs/dbraw/zinc/00/44/85/271004485.db2.gz DVECLJACEYJZRH-GOSISDBHSA-N 2 2 302.462 3.374 20 0 DGADLP Cc1ccc(C(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000359870156 271004486 /nfs/dbraw/zinc/00/44/86/271004486.db2.gz DVECLJACEYJZRH-GOSISDBHSA-N 2 2 302.462 3.374 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1 ZINC000359877079 271007384 /nfs/dbraw/zinc/00/73/84/271007384.db2.gz VUBCOGSECLFQJL-INIZCTEOSA-N 2 2 306.413 3.236 20 0 DGADLP CC(C)c1nc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC000359903411 271014257 /nfs/dbraw/zinc/01/42/57/271014257.db2.gz QTRDWBFYFOCKFO-QZTJIDSGSA-N 2 2 322.456 3.168 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)ccc2n1 ZINC000367698841 271066083 /nfs/dbraw/zinc/06/60/83/271066083.db2.gz GEIYJSLUVCPAPT-QGZVFWFLSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)ccc2n1 ZINC000367698841 271066087 /nfs/dbraw/zinc/06/60/87/271066087.db2.gz GEIYJSLUVCPAPT-QGZVFWFLSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000367697895 271066520 /nfs/dbraw/zinc/06/65/20/271066520.db2.gz DJTSXLRTWVBDLM-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367697895 271066524 /nfs/dbraw/zinc/06/65/24/271066524.db2.gz DJTSXLRTWVBDLM-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000367697895 271066525 /nfs/dbraw/zinc/06/65/25/271066525.db2.gz DJTSXLRTWVBDLM-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000367697895 271066534 /nfs/dbraw/zinc/06/65/34/271066534.db2.gz DJTSXLRTWVBDLM-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000367846140 271086297 /nfs/dbraw/zinc/08/62/97/271086297.db2.gz CPBVADCDIGGKAR-QGZVFWFLSA-N 2 2 324.509 3.306 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000367846140 271086301 /nfs/dbraw/zinc/08/63/01/271086301.db2.gz CPBVADCDIGGKAR-QGZVFWFLSA-N 2 2 324.509 3.306 20 0 DGADLP Cc1ccc(N2CC[C@H]([NH2+]CCCc3c[nH+]ccc3C)C2=O)cc1 ZINC000368020492 271116264 /nfs/dbraw/zinc/11/62/64/271116264.db2.gz VXAJGNGJESCWDE-IBGZPJMESA-N 2 2 323.440 3.026 20 0 DGADLP C[C@]1(C[NH2+]Cc2cscn2)CC[N@H+](Cc2ccccc2)C1 ZINC000369185315 271249781 /nfs/dbraw/zinc/24/97/81/271249781.db2.gz VAXJLDUIMFUHDP-QGZVFWFLSA-N 2 2 301.459 3.145 20 0 DGADLP C[C@]1(C[NH2+]Cc2cscn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000369185315 271249782 /nfs/dbraw/zinc/24/97/82/271249782.db2.gz VAXJLDUIMFUHDP-QGZVFWFLSA-N 2 2 301.459 3.145 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369511138 271285967 /nfs/dbraw/zinc/28/59/67/271285967.db2.gz LHIKUCCJNLPQFM-HNNXBMFYSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369511138 271285968 /nfs/dbraw/zinc/28/59/68/271285968.db2.gz LHIKUCCJNLPQFM-HNNXBMFYSA-N 2 2 300.406 3.071 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000370388285 271356832 /nfs/dbraw/zinc/35/68/32/271356832.db2.gz SOLZREMYRZLFCI-VQIMIIECSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000370388285 271356835 /nfs/dbraw/zinc/35/68/35/271356835.db2.gz SOLZREMYRZLFCI-VQIMIIECSA-N 2 2 320.440 3.087 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000370649308 271379455 /nfs/dbraw/zinc/37/94/55/271379455.db2.gz DDYVLVOMNOWKAE-GFCCVEGCSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000370649308 271379459 /nfs/dbraw/zinc/37/94/59/271379459.db2.gz DDYVLVOMNOWKAE-GFCCVEGCSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191334307 432251133 /nfs/dbraw/zinc/25/11/33/432251133.db2.gz XRKHKLSWXRZGLS-KCQAQPDRSA-N 2 2 304.482 3.222 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000183084395 432255521 /nfs/dbraw/zinc/25/55/21/432255521.db2.gz BSBLFQLSYIOBSF-XYJFISCASA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000183084395 432255524 /nfs/dbraw/zinc/25/55/24/432255524.db2.gz BSBLFQLSYIOBSF-XYJFISCASA-N 2 2 312.461 3.124 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247958357 432256151 /nfs/dbraw/zinc/25/61/51/432256151.db2.gz FXMXCFZGKUQRPR-LNLFQRSKSA-N 3 2 317.521 3.436 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000247958357 432256155 /nfs/dbraw/zinc/25/61/55/432256155.db2.gz FXMXCFZGKUQRPR-LNLFQRSKSA-N 3 2 317.521 3.436 20 0 DGADLP Clc1cccc(O[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183075528 432256408 /nfs/dbraw/zinc/25/64/08/432256408.db2.gz GTFZWKKLNZLYEN-INIZCTEOSA-N 2 2 305.809 3.080 20 0 DGADLP Clc1cccc(O[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183075528 432256410 /nfs/dbraw/zinc/25/64/10/432256410.db2.gz GTFZWKKLNZLYEN-INIZCTEOSA-N 2 2 305.809 3.080 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414921829 273579787 /nfs/dbraw/zinc/57/97/87/273579787.db2.gz BVNRCURXGYRRKR-MRXNPFEDSA-N 2 2 301.409 3.242 20 0 DGADLP COC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000183086806 432257946 /nfs/dbraw/zinc/25/79/46/432257946.db2.gz ATOZTKBEWDDWBR-INIZCTEOSA-N 2 2 321.371 3.139 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000276167587 274137957 /nfs/dbraw/zinc/13/79/57/274137957.db2.gz RXUHILHDFPAMGG-BRWVUGGUSA-N 2 2 318.486 3.449 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000276167587 274137960 /nfs/dbraw/zinc/13/79/60/274137960.db2.gz RXUHILHDFPAMGG-BRWVUGGUSA-N 2 2 318.486 3.449 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C2CCC2)CC1 ZINC000344970783 274155176 /nfs/dbraw/zinc/15/51/76/274155176.db2.gz INJUEOAJFUQRPM-UHFFFAOYSA-N 2 2 311.429 3.226 20 0 DGADLP CS[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@@H]1[NH+](C)C ZINC000342705962 274187276 /nfs/dbraw/zinc/18/72/76/274187276.db2.gz WJAVOKRIVPACSM-GJZGRUSLSA-N 2 2 321.877 3.370 20 0 DGADLP C[C@@H](CC[NH2+]Cc1nccn1-c1ccccc1)[NH+]1CCCCC1 ZINC000191589749 274209937 /nfs/dbraw/zinc/20/99/37/274209937.db2.gz WOPMXGCDDHACAR-KRWDZBQOSA-N 2 2 312.461 3.226 20 0 DGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000151866830 274217211 /nfs/dbraw/zinc/21/72/11/274217211.db2.gz WWPFMZJUPQBFGL-KRWDZBQOSA-N 2 2 301.478 3.119 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](CC[NH3+])C(F)F ZINC000414986783 274230821 /nfs/dbraw/zinc/23/08/21/274230821.db2.gz HTFHHWUHKLBOQD-CABZTGNLSA-N 2 2 310.310 3.209 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405433 274239181 /nfs/dbraw/zinc/23/91/81/274239181.db2.gz MELLNKQFYXSJKA-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405433 274239183 /nfs/dbraw/zinc/23/91/83/274239183.db2.gz MELLNKQFYXSJKA-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122840928 274243898 /nfs/dbraw/zinc/24/38/98/274243898.db2.gz OFOMOGNNGKUTNI-OAHLLOKOSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422853709 274252351 /nfs/dbraw/zinc/25/23/51/274252351.db2.gz CDCGQWRPMPXLDM-QMTHXVAHSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@H](C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)C[NH+](C)C ZINC000491597167 274490702 /nfs/dbraw/zinc/49/07/02/274490702.db2.gz RWOOLLUOAOXRTE-LLVKDONJSA-N 2 2 318.292 3.347 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000422758923 274497021 /nfs/dbraw/zinc/49/70/21/274497021.db2.gz JQWQESCHSFCOEG-JRGCBEDISA-N 2 2 324.468 3.327 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422853708 274516818 /nfs/dbraw/zinc/51/68/18/274516818.db2.gz CDCGQWRPMPXLDM-IINYFYTJSA-N 2 2 304.331 3.465 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[NH+]1CCCCC1)CC3 ZINC000491380064 274765902 /nfs/dbraw/zinc/76/59/02/274765902.db2.gz LKLQLTIFYCOBGB-INIZCTEOSA-N 2 2 311.473 3.409 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCc4cc(N)ccc43)n2c1 ZINC000414926277 274786896 /nfs/dbraw/zinc/78/68/96/274786896.db2.gz KTKYEOGLDYTKHE-SFHVURJKSA-N 2 2 306.413 3.392 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000330079953 274850805 /nfs/dbraw/zinc/85/08/05/274850805.db2.gz OSGZXSLAWZQWER-KRWDZBQOSA-N 2 2 312.417 3.101 20 0 DGADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423211104 274880326 /nfs/dbraw/zinc/88/03/26/274880326.db2.gz XYNJWYSDRQUOOI-RNCFNFMXSA-N 2 2 315.642 3.041 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247978378 432260090 /nfs/dbraw/zinc/26/00/90/432260090.db2.gz IBMMNINKSGEENN-FUHWJXTLSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247978378 432260095 /nfs/dbraw/zinc/26/00/95/432260095.db2.gz IBMMNINKSGEENN-FUHWJXTLSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247978378 432260100 /nfs/dbraw/zinc/26/01/00/432260100.db2.gz IBMMNINKSGEENN-FUHWJXTLSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247978378 432260106 /nfs/dbraw/zinc/26/01/06/432260106.db2.gz IBMMNINKSGEENN-FUHWJXTLSA-N 2 2 302.462 3.390 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423533182 275061206 /nfs/dbraw/zinc/06/12/06/275061206.db2.gz SMZNCHTULKQNDE-XUVXKRRUSA-N 2 2 308.425 3.115 20 0 DGADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423183255 275370379 /nfs/dbraw/zinc/37/03/79/275370379.db2.gz HMNZXZRNBDJJFA-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H](C)C[NH3+] ZINC000414948256 275664830 /nfs/dbraw/zinc/66/48/30/275664830.db2.gz WXVXQAHYIJFMBS-JTQLQIEISA-N 2 2 317.296 3.386 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422764228 275736188 /nfs/dbraw/zinc/73/61/88/275736188.db2.gz PPNDISALYRLYQX-VQTJNVASSA-N 2 2 316.489 3.099 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000423236534 275749711 /nfs/dbraw/zinc/74/97/11/275749711.db2.gz HNLRQGQOEFMUPJ-MSOLQXFVSA-N 2 2 312.461 3.284 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414938147 275769905 /nfs/dbraw/zinc/76/99/05/275769905.db2.gz DXHYTYJCWSBIQX-MAUKXSAKSA-N 2 2 312.461 3.226 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423306391 276017583 /nfs/dbraw/zinc/01/75/83/276017583.db2.gz DYLXFZDJSIUELM-ZDUSSCGKSA-N 2 2 301.356 3.067 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CCC2 ZINC000423257655 276304526 /nfs/dbraw/zinc/30/45/26/276304526.db2.gz AAAZSBSNZZUJEW-UONOGXRCSA-N 2 2 322.449 3.105 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)C12CCC2 ZINC000344157079 276344934 /nfs/dbraw/zinc/34/49/34/276344934.db2.gz ZUSNVYMNPRHWHS-GUDVDZBRSA-N 2 2 316.489 3.097 20 0 DGADLP COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066875 278049265 /nfs/dbraw/zinc/04/92/65/278049265.db2.gz YSUWURWXPDGAPQ-CRAIPNDOSA-N 2 2 300.446 3.144 20 0 DGADLP COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066875 278049268 /nfs/dbraw/zinc/04/92/68/278049268.db2.gz YSUWURWXPDGAPQ-CRAIPNDOSA-N 2 2 300.446 3.144 20 0 DGADLP COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066875 278049269 /nfs/dbraw/zinc/04/92/69/278049269.db2.gz YSUWURWXPDGAPQ-CRAIPNDOSA-N 2 2 300.446 3.144 20 0 DGADLP COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066875 278049272 /nfs/dbraw/zinc/04/92/72/278049272.db2.gz YSUWURWXPDGAPQ-CRAIPNDOSA-N 2 2 300.446 3.144 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427102072 278089374 /nfs/dbraw/zinc/08/93/74/278089374.db2.gz RIWZZGMPXNVYEK-LPHOPBHVSA-N 2 2 324.472 3.180 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427102072 278089377 /nfs/dbraw/zinc/08/93/77/278089377.db2.gz RIWZZGMPXNVYEK-LPHOPBHVSA-N 2 2 324.472 3.180 20 0 DGADLP C[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000414985032 278285930 /nfs/dbraw/zinc/28/59/30/278285930.db2.gz FEYRUQGHSIRGPL-JOYOIKCWSA-N 2 2 310.310 3.381 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000040227404 278301348 /nfs/dbraw/zinc/30/13/48/278301348.db2.gz JFBSVELMQMWDKE-NHYWBVRUSA-N 2 2 320.234 3.311 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000305168925 278349710 /nfs/dbraw/zinc/34/97/10/278349710.db2.gz ZEUYUOHPUNHBAA-CHWSQXEVSA-N 2 2 316.898 3.145 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136390 278350990 /nfs/dbraw/zinc/35/09/90/278350990.db2.gz QAZJZNJHFUJVOQ-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136390 278350991 /nfs/dbraw/zinc/35/09/91/278350991.db2.gz QAZJZNJHFUJVOQ-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698035 278370832 /nfs/dbraw/zinc/37/08/32/278370832.db2.gz CXJYAKJCEXPBSL-RDTXWAMCSA-N 2 2 321.428 3.334 20 0 DGADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488726068 279008672 /nfs/dbraw/zinc/00/86/72/279008672.db2.gz UWKUNXKVZIGJJP-XJKCOSOUSA-N 2 2 301.459 3.463 20 0 DGADLP C[C@@H]1C[C@H]1[N@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488726068 279008674 /nfs/dbraw/zinc/00/86/74/279008674.db2.gz UWKUNXKVZIGJJP-XJKCOSOUSA-N 2 2 301.459 3.463 20 0 DGADLP C[C@H](CC[NH2+][C@H]1C[C@@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000297883310 279268009 /nfs/dbraw/zinc/26/80/09/279268009.db2.gz VCWQLPOCYMUSQR-NUJGCVRESA-N 2 2 312.461 3.389 20 0 DGADLP C[C@H](CC[NH2+][C@H]1C[C@@H](C)n2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000297883310 279268012 /nfs/dbraw/zinc/26/80/12/279268012.db2.gz VCWQLPOCYMUSQR-NUJGCVRESA-N 2 2 312.461 3.389 20 0 DGADLP Clc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261946242 279292363 /nfs/dbraw/zinc/29/23/63/279292363.db2.gz NJPXCCQPNWUHQC-LRDDRELGSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2[nH]c([C@@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261946242 279292364 /nfs/dbraw/zinc/29/23/64/279292364.db2.gz NJPXCCQPNWUHQC-LRDDRELGSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946242 279292366 /nfs/dbraw/zinc/29/23/66/279292366.db2.gz NJPXCCQPNWUHQC-LRDDRELGSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946242 279292368 /nfs/dbraw/zinc/29/23/68/279292368.db2.gz NJPXCCQPNWUHQC-LRDDRELGSA-N 2 2 318.852 3.353 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[C@H](C)c2ccccc21)C[NH+]1CCOCC1 ZINC000153271442 279353919 /nfs/dbraw/zinc/35/39/19/279353919.db2.gz UAUZKOXGJDYZCI-GJYPPUQNSA-N 2 2 302.462 3.183 20 0 DGADLP c1csc(-c2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)no2)c1 ZINC000111243995 431201334 /nfs/dbraw/zinc/20/13/34/431201334.db2.gz FICUAYAREDKQQP-UHFFFAOYSA-N 2 2 314.414 3.437 20 0 DGADLP c1cn(Cc2ccccc2)c(CCNc2cc[nH+]c(C3CC3)n2)[nH+]1 ZINC000110127177 431187042 /nfs/dbraw/zinc/18/70/42/431187042.db2.gz KWYKSEFWQTYYQY-UHFFFAOYSA-N 2 2 319.412 3.253 20 0 DGADLP c1cn(C2CC[NH+](CCCOCCc3ccccc3)CC2)c[nH+]1 ZINC000111244125 431200472 /nfs/dbraw/zinc/20/04/72/431200472.db2.gz ZPLKJLZKBVFRGK-UHFFFAOYSA-N 2 2 313.445 3.169 20 0 DGADLP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1SC ZINC000068825584 431144989 /nfs/dbraw/zinc/14/49/89/431144989.db2.gz DKYQQHARHYFPLQ-UHFFFAOYSA-N 2 2 308.491 3.380 20 0 DGADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C[C@H](C)O1 ZINC000069674077 431209705 /nfs/dbraw/zinc/20/97/05/431209705.db2.gz JSQBXTQXZLQRNL-HOTGVXAUSA-N 2 2 314.429 3.179 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000069725632 431215532 /nfs/dbraw/zinc/21/55/32/431215532.db2.gz VAVDNEPHWQVILM-KOLCDFICSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000069725632 431215538 /nfs/dbraw/zinc/21/55/38/431215538.db2.gz VAVDNEPHWQVILM-KOLCDFICSA-N 2 2 303.269 3.070 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(Br)c1 ZINC000069721177 431217687 /nfs/dbraw/zinc/21/76/87/431217687.db2.gz XLODOWLLHDRDKA-LLVKDONJSA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(Br)c1 ZINC000069721177 431217695 /nfs/dbraw/zinc/21/76/95/431217695.db2.gz XLODOWLLHDRDKA-LLVKDONJSA-N 2 2 303.269 3.214 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803445 431223272 /nfs/dbraw/zinc/22/32/72/431223272.db2.gz ZWZRMOLCTZLYRB-YLJYHZDGSA-N 2 2 314.473 3.108 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803445 431223278 /nfs/dbraw/zinc/22/32/78/431223278.db2.gz ZWZRMOLCTZLYRB-YLJYHZDGSA-N 2 2 314.473 3.108 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174325 431243623 /nfs/dbraw/zinc/24/36/23/431243623.db2.gz CANNMWKNLKFDDW-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174325 431243629 /nfs/dbraw/zinc/24/36/29/431243629.db2.gz CANNMWKNLKFDDW-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533493 431252600 /nfs/dbraw/zinc/25/26/00/431252600.db2.gz KOWLZMUIXQSQHF-CMPLNLGQSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533493 431252607 /nfs/dbraw/zinc/25/26/07/431252607.db2.gz KOWLZMUIXQSQHF-CMPLNLGQSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccnc1 ZINC000112526396 431278862 /nfs/dbraw/zinc/27/88/62/431278862.db2.gz HPWITDFLJUJPIQ-HNNXBMFYSA-N 2 2 305.491 3.094 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198979 431375324 /nfs/dbraw/zinc/37/53/24/431375324.db2.gz DEQGLRQXKSYCOD-HZPDHXFCSA-N 2 2 317.477 3.021 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198979 431375328 /nfs/dbraw/zinc/37/53/28/431375328.db2.gz DEQGLRQXKSYCOD-HZPDHXFCSA-N 2 2 317.477 3.021 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000114479062 431389627 /nfs/dbraw/zinc/38/96/27/431389627.db2.gz BFXVFSILTRORGF-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000114479062 431389630 /nfs/dbraw/zinc/38/96/30/431389630.db2.gz BFXVFSILTRORGF-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521545 431456931 /nfs/dbraw/zinc/45/69/31/431456931.db2.gz FYSQEPKHHKHTRP-CVEARBPZSA-N 2 2 320.481 3.149 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521545 431456942 /nfs/dbraw/zinc/45/69/42/431456942.db2.gz FYSQEPKHHKHTRP-CVEARBPZSA-N 2 2 320.481 3.149 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000291164708 279965285 /nfs/dbraw/zinc/96/52/85/279965285.db2.gz MNKIDZGWWLLDNI-KSSFIOAISA-N 2 2 322.880 3.462 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000423197342 280309164 /nfs/dbraw/zinc/30/91/64/280309164.db2.gz ZAIBIZANZBBPBH-ZIAGYGMSSA-N 2 2 309.251 3.086 20 0 DGADLP CCN(CC)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000119114775 431647145 /nfs/dbraw/zinc/64/71/45/431647145.db2.gz ZVQBESYCWNWWPB-QGZVFWFLSA-N 2 2 307.482 3.125 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119321637 431675712 /nfs/dbraw/zinc/67/57/12/431675712.db2.gz QUOLDRGBEOMSJJ-UHFFFAOYSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119321637 431675714 /nfs/dbraw/zinc/67/57/14/431675714.db2.gz QUOLDRGBEOMSJJ-UHFFFAOYSA-N 2 2 312.461 3.123 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)oc2c1 ZINC000119329630 431676518 /nfs/dbraw/zinc/67/65/18/431676518.db2.gz IKUPZXDMQQHGEF-HNNXBMFYSA-N 2 2 317.408 3.417 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)oc2c1 ZINC000119329630 431676525 /nfs/dbraw/zinc/67/65/25/431676525.db2.gz IKUPZXDMQQHGEF-HNNXBMFYSA-N 2 2 317.408 3.417 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[NH+](C)C)cc1 ZINC000121512963 431797133 /nfs/dbraw/zinc/79/71/33/431797133.db2.gz HFZQAILUGMBTEJ-OKYOBFRVSA-N 2 2 314.473 3.145 20 0 DGADLP C[N@@H+](CCC(=O)c1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000122102878 431812976 /nfs/dbraw/zinc/81/29/76/431812976.db2.gz LWVABWKTGLROCS-KRWDZBQOSA-N 2 2 306.425 3.205 20 0 DGADLP C[N@H+](CCC(=O)c1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000122102878 431812980 /nfs/dbraw/zinc/81/29/80/431812980.db2.gz LWVABWKTGLROCS-KRWDZBQOSA-N 2 2 306.425 3.205 20 0 DGADLP C[NH+](CCC(=O)c1ccc(F)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000122102878 431812983 /nfs/dbraw/zinc/81/29/83/431812983.db2.gz LWVABWKTGLROCS-KRWDZBQOSA-N 2 2 306.425 3.205 20 0 DGADLP C[NH+](CCC(=O)c1ccc(F)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000122102878 431812988 /nfs/dbraw/zinc/81/29/88/431812988.db2.gz LWVABWKTGLROCS-KRWDZBQOSA-N 2 2 306.425 3.205 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000122739771 431843399 /nfs/dbraw/zinc/84/33/99/431843399.db2.gz GOXSAVAESOGGHO-RISCZKNCSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000122739771 431843400 /nfs/dbraw/zinc/84/34/00/431843400.db2.gz GOXSAVAESOGGHO-RISCZKNCSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)[NH+](C)C ZINC000038087776 431854784 /nfs/dbraw/zinc/85/47/84/431854784.db2.gz RZLAZSCPXFDHBA-NUYPLMSZSA-N 2 2 311.267 3.235 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123776222 431873730 /nfs/dbraw/zinc/87/37/30/431873730.db2.gz QZQUNMMVNDDRIS-KRWDZBQOSA-N 3 2 318.509 3.151 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565414 431909743 /nfs/dbraw/zinc/90/97/43/431909743.db2.gz IBCWCVYIUWGQDI-JCYILVPMSA-N 2 2 324.509 3.351 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565414 431909745 /nfs/dbraw/zinc/90/97/45/431909745.db2.gz IBCWCVYIUWGQDI-JCYILVPMSA-N 2 2 324.509 3.351 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CSCCS2)n1-c1ccccc1 ZINC000125177992 431916569 /nfs/dbraw/zinc/91/65/69/431916569.db2.gz AKWDGNUQOICGPE-INIZCTEOSA-N 2 2 319.499 3.119 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684106 431877107 /nfs/dbraw/zinc/87/71/07/431877107.db2.gz JEMPFLIIYUTWNZ-FZMZJTMJSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684106 431877108 /nfs/dbraw/zinc/87/71/08/431877108.db2.gz JEMPFLIIYUTWNZ-FZMZJTMJSA-N 2 2 309.251 3.336 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000124271506 431887948 /nfs/dbraw/zinc/88/79/48/431887948.db2.gz CTTRQHARUIEUJM-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000124271506 431887951 /nfs/dbraw/zinc/88/79/51/431887951.db2.gz CTTRQHARUIEUJM-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000090004225 431888159 /nfs/dbraw/zinc/88/81/59/431888159.db2.gz JLMHEZXHENTTBO-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000090004225 431888160 /nfs/dbraw/zinc/88/81/60/431888160.db2.gz JLMHEZXHENTTBO-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000090003740 431888884 /nfs/dbraw/zinc/88/88/84/431888884.db2.gz IWTXDUVFHGVRBV-ZDUSSCGKSA-N 2 2 303.372 3.407 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000090003740 431888886 /nfs/dbraw/zinc/88/88/86/431888886.db2.gz IWTXDUVFHGVRBV-ZDUSSCGKSA-N 2 2 303.372 3.407 20 0 DGADLP Cc1nc(C)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)s1 ZINC000124389771 431892651 /nfs/dbraw/zinc/89/26/51/431892651.db2.gz ZPBYKXWXSKMQGA-UHFFFAOYSA-N 2 2 314.458 3.369 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000090720577 431895076 /nfs/dbraw/zinc/89/50/76/431895076.db2.gz HEIWRLNYWYDEFW-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000090720577 431895077 /nfs/dbraw/zinc/89/50/77/431895077.db2.gz HEIWRLNYWYDEFW-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000090721570 431895245 /nfs/dbraw/zinc/89/52/45/431895245.db2.gz HQMKUKKSVBPVCI-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@H+]1C ZINC000090721570 431895246 /nfs/dbraw/zinc/89/52/46/431895246.db2.gz HQMKUKKSVBPVCI-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP COC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936735 431897727 /nfs/dbraw/zinc/89/77/27/431897727.db2.gz JLAVALAPDWOAFH-NORZTCDRSA-N 2 2 314.832 3.096 20 0 DGADLP COC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936735 431897728 /nfs/dbraw/zinc/89/77/28/431897728.db2.gz JLAVALAPDWOAFH-NORZTCDRSA-N 2 2 314.832 3.096 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000098092957 431977621 /nfs/dbraw/zinc/97/76/21/431977621.db2.gz WUARWMHLFHINQS-QGZVFWFLSA-N 2 2 309.413 3.241 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000098092957 431977623 /nfs/dbraw/zinc/97/76/23/431977623.db2.gz WUARWMHLFHINQS-QGZVFWFLSA-N 2 2 309.413 3.241 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143769 431979585 /nfs/dbraw/zinc/97/95/85/431979585.db2.gz WTULDUPXTXOACK-XLIONFOSSA-N 2 2 324.468 3.065 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143769 431979588 /nfs/dbraw/zinc/97/95/88/431979588.db2.gz WTULDUPXTXOACK-XLIONFOSSA-N 2 2 324.468 3.065 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)sc1Br ZINC000125506074 431927447 /nfs/dbraw/zinc/92/74/47/431927447.db2.gz CWOUWIORTATHCX-NSHDSACASA-N 2 2 317.296 3.203 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)sc1Br ZINC000125506074 431927448 /nfs/dbraw/zinc/92/74/48/431927448.db2.gz CWOUWIORTATHCX-NSHDSACASA-N 2 2 317.296 3.203 20 0 DGADLP CCc1cc(N2CC[NH+](Cc3ccon3)CC2)c2ccccc2[nH+]1 ZINC000125578321 431929964 /nfs/dbraw/zinc/92/99/64/431929964.db2.gz QBNPLAHOGDUXEW-UHFFFAOYSA-N 2 2 322.412 3.107 20 0 DGADLP CC[N@H+](C)CC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000054110270 431967958 /nfs/dbraw/zinc/96/79/58/431967958.db2.gz HWXAAFMYENWIKE-UHFFFAOYSA-N 2 2 311.267 3.236 20 0 DGADLP CC[N@@H+](C)CC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000054110270 431967960 /nfs/dbraw/zinc/96/79/60/431967960.db2.gz HWXAAFMYENWIKE-UHFFFAOYSA-N 2 2 311.267 3.236 20 0 DGADLP c1ccc(SCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000127313315 431969313 /nfs/dbraw/zinc/96/93/13/431969313.db2.gz LFHCXXNQPWAHKG-UHFFFAOYSA-N 2 2 313.470 3.432 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@H](C)C2 ZINC000493054936 281119213 /nfs/dbraw/zinc/11/92/13/281119213.db2.gz IQZOELPECFNJLI-OLMNPRSZSA-N 2 2 304.503 3.255 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)Nc1[nH+]cnc2[nH]ccc21)[NH+](C)C ZINC000343755569 281362057 /nfs/dbraw/zinc/36/20/57/281362057.db2.gz DSWAGQZCZMSNPT-XJKSGUPXSA-N 2 2 309.417 3.370 20 0 DGADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247120281 281380162 /nfs/dbraw/zinc/38/01/62/281380162.db2.gz AKUVGZILUKAXEY-ROUUACIJSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247120281 281380165 /nfs/dbraw/zinc/38/01/65/281380165.db2.gz AKUVGZILUKAXEY-ROUUACIJSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000191538575 432275573 /nfs/dbraw/zinc/27/55/73/432275573.db2.gz SKKYSWYNDAQGNU-TZMCWYRMSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000191538575 432275577 /nfs/dbraw/zinc/27/55/77/432275577.db2.gz SKKYSWYNDAQGNU-TZMCWYRMSA-N 2 2 311.267 3.330 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000183286579 432278648 /nfs/dbraw/zinc/27/86/48/432278648.db2.gz HKCJESDFXAGWBX-QGZVFWFLSA-N 2 2 315.465 3.135 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000183286579 432278652 /nfs/dbraw/zinc/27/86/52/432278652.db2.gz HKCJESDFXAGWBX-QGZVFWFLSA-N 2 2 315.465 3.135 20 0 DGADLP c1cn2c(cccc2CN2CCC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000183383456 432287817 /nfs/dbraw/zinc/28/78/17/432287817.db2.gz ZPIXIBXHAYQLPW-UHFFFAOYSA-N 2 2 320.440 3.042 20 0 DGADLP c1cn2c(cccc2CN2CCC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000183383456 432287818 /nfs/dbraw/zinc/28/78/18/432287818.db2.gz ZPIXIBXHAYQLPW-UHFFFAOYSA-N 2 2 320.440 3.042 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000270780417 432289261 /nfs/dbraw/zinc/28/92/61/432289261.db2.gz HEQNUWBMMIRBLF-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000270780417 432289264 /nfs/dbraw/zinc/28/92/64/432289264.db2.gz HEQNUWBMMIRBLF-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191407794 432262282 /nfs/dbraw/zinc/26/22/82/432262282.db2.gz XSHQTXCDKBKAGR-GOSISDBHSA-N 2 2 318.509 3.090 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191407794 432262284 /nfs/dbraw/zinc/26/22/84/432262284.db2.gz XSHQTXCDKBKAGR-GOSISDBHSA-N 2 2 318.509 3.090 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248823243 432320845 /nfs/dbraw/zinc/32/08/45/432320845.db2.gz GEKZHWBJYZOTOF-AZUAARDMSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248823243 432320851 /nfs/dbraw/zinc/32/08/51/432320851.db2.gz GEKZHWBJYZOTOF-AZUAARDMSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823243 432320855 /nfs/dbraw/zinc/32/08/55/432320855.db2.gz GEKZHWBJYZOTOF-AZUAARDMSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823243 432320860 /nfs/dbraw/zinc/32/08/60/432320860.db2.gz GEKZHWBJYZOTOF-AZUAARDMSA-N 3 2 324.472 3.097 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152350118 432324886 /nfs/dbraw/zinc/32/48/86/432324886.db2.gz IQMYFOJXRIKXEV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152350118 432324891 /nfs/dbraw/zinc/32/48/91/432324891.db2.gz IQMYFOJXRIKXEV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152350118 432324893 /nfs/dbraw/zinc/32/48/93/432324893.db2.gz IQMYFOJXRIKXEV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152350118 432324898 /nfs/dbraw/zinc/32/48/98/432324898.db2.gz IQMYFOJXRIKXEV-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCCO[C@@H]21 ZINC000174539987 432355452 /nfs/dbraw/zinc/35/54/52/432355452.db2.gz MEQOHQRJDVKERU-KURKYZTESA-N 2 2 311.429 3.166 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CC[C@H]([NH+]4CCCCC4)C3)n2c1 ZINC000271150085 432339294 /nfs/dbraw/zinc/33/92/94/432339294.db2.gz DJTRKSCRDDIVFF-HNNXBMFYSA-N 2 2 318.852 3.048 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000249268071 432342945 /nfs/dbraw/zinc/34/29/45/432342945.db2.gz JMMJSDZAHJLEFT-YCRPNKLZSA-N 2 2 310.507 3.149 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000249268071 432342948 /nfs/dbraw/zinc/34/29/48/432342948.db2.gz JMMJSDZAHJLEFT-YCRPNKLZSA-N 2 2 310.507 3.149 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175202 432344275 /nfs/dbraw/zinc/34/42/75/432344275.db2.gz UXTQTKVHDBEINT-DOTOQJQBSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175202 432344278 /nfs/dbraw/zinc/34/42/78/432344278.db2.gz UXTQTKVHDBEINT-DOTOQJQBSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000152726478 432351362 /nfs/dbraw/zinc/35/13/62/432351362.db2.gz VIDHTTDNUBVXBK-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000152726478 432351367 /nfs/dbraw/zinc/35/13/67/432351367.db2.gz VIDHTTDNUBVXBK-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccncc1Cl)CCC2 ZINC000421830481 281551319 /nfs/dbraw/zinc/55/13/19/281551319.db2.gz KAGSJTZPRAKXGI-STQMWFEESA-N 2 2 304.825 3.468 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3ccccc3OC1)CCC2 ZINC000493770974 281552203 /nfs/dbraw/zinc/55/22/03/281552203.db2.gz XKLZQDQTEIXPGC-DLBZAZTESA-N 2 2 311.429 3.052 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000184286465 432375371 /nfs/dbraw/zinc/37/53/71/432375371.db2.gz BNFFCOQLBZTLMK-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)c2ccccc2)CC1 ZINC000192495288 432379558 /nfs/dbraw/zinc/37/95/58/432379558.db2.gz COONDGKHDNGNBE-SXLOBPIMSA-N 2 2 316.489 3.474 20 0 DGADLP CCCn1nc(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000271217389 432356885 /nfs/dbraw/zinc/35/68/85/432356885.db2.gz YTBLXPDSEYDIDR-UHFFFAOYSA-N 2 2 301.438 3.013 20 0 DGADLP c1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357614 432363641 /nfs/dbraw/zinc/36/36/41/432363641.db2.gz CMRPCAKMKDDXNX-QGZVFWFLSA-N 2 2 316.470 3.129 20 0 DGADLP c1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357614 432363645 /nfs/dbraw/zinc/36/36/45/432363645.db2.gz CMRPCAKMKDDXNX-QGZVFWFLSA-N 2 2 316.470 3.129 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000271296773 432369779 /nfs/dbraw/zinc/36/97/79/432369779.db2.gz NWADSGSOONZHTA-KBRIMQKVSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000271296773 432369783 /nfs/dbraw/zinc/36/97/83/432369783.db2.gz NWADSGSOONZHTA-KBRIMQKVSA-N 2 2 319.836 3.153 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559246 432429793 /nfs/dbraw/zinc/42/97/93/432429793.db2.gz SYPXBYLQGSABII-IOMROCGXSA-N 3 2 321.468 3.243 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559246 432429797 /nfs/dbraw/zinc/42/97/97/432429797.db2.gz SYPXBYLQGSABII-IOMROCGXSA-N 3 2 321.468 3.243 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261566556 432430900 /nfs/dbraw/zinc/43/09/00/432430900.db2.gz IHOLTHJXJWDIHG-KYOSRNDESA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261566556 432430903 /nfs/dbraw/zinc/43/09/03/432430903.db2.gz IHOLTHJXJWDIHG-KYOSRNDESA-N 2 2 309.251 3.194 20 0 DGADLP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271951725 432431333 /nfs/dbraw/zinc/43/13/33/432431333.db2.gz DJUPJBJTYKJRNY-FZKQIMNGSA-N 2 2 313.376 3.339 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261579302 432432326 /nfs/dbraw/zinc/43/23/26/432432326.db2.gz PKWBQBPGHMDLQG-FRRDWIJNSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261579302 432432330 /nfs/dbraw/zinc/43/23/30/432432330.db2.gz PKWBQBPGHMDLQG-FRRDWIJNSA-N 2 2 309.251 3.051 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)n2)cc1 ZINC000261763042 432449352 /nfs/dbraw/zinc/44/93/52/432449352.db2.gz RHDOFTUCPCHIBB-GOSISDBHSA-N 2 2 314.433 3.031 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@](C)(C[NH3+])C3)n2)cc1 ZINC000261763042 432449356 /nfs/dbraw/zinc/44/93/56/432449356.db2.gz RHDOFTUCPCHIBB-GOSISDBHSA-N 2 2 314.433 3.031 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876139 432458088 /nfs/dbraw/zinc/45/80/88/432458088.db2.gz XZMSYXMEQDPOFG-QXCFHYIPSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876139 432458096 /nfs/dbraw/zinc/45/80/96/432458096.db2.gz XZMSYXMEQDPOFG-QXCFHYIPSA-N 2 2 302.462 3.008 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000184734945 432427004 /nfs/dbraw/zinc/42/70/04/432427004.db2.gz KXCUQNVHNCDRHE-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000184734945 432427008 /nfs/dbraw/zinc/42/70/08/432427008.db2.gz KXCUQNVHNCDRHE-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000262050619 432471137 /nfs/dbraw/zinc/47/11/37/432471137.db2.gz CUGGHJZAOKYQFB-GVDBMIGSSA-N 2 2 300.450 3.014 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000262062428 432472120 /nfs/dbraw/zinc/47/21/20/432472120.db2.gz FCYOQZIXURYSDE-TYNCELHUSA-N 2 2 316.367 3.123 20 0 DGADLP CCN(CC)c1ccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000262117772 432476040 /nfs/dbraw/zinc/47/60/40/432476040.db2.gz KKMLXBPYSKCPKU-GVDBMIGSSA-N 2 2 302.466 3.260 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2ccccc12 ZINC000262454685 432486338 /nfs/dbraw/zinc/48/63/38/432486338.db2.gz IBTVNVMKKZLZMN-GOSISDBHSA-N 2 2 315.848 3.382 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2ccccc12 ZINC000262454685 432486341 /nfs/dbraw/zinc/48/63/41/432486341.db2.gz IBTVNVMKKZLZMN-GOSISDBHSA-N 2 2 315.848 3.382 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000262496021 432487552 /nfs/dbraw/zinc/48/75/52/432487552.db2.gz LKQQVSDRTAAEGG-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000262496021 432487556 /nfs/dbraw/zinc/48/75/56/432487556.db2.gz LKQQVSDRTAAEGG-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nc2ccccc12 ZINC000262471588 432487608 /nfs/dbraw/zinc/48/76/08/432487608.db2.gz JHHGWMXDFGPPEV-UKRRQHHQSA-N 2 2 315.848 3.380 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nc2ccccc12 ZINC000262471588 432487610 /nfs/dbraw/zinc/48/76/10/432487610.db2.gz JHHGWMXDFGPPEV-UKRRQHHQSA-N 2 2 315.848 3.380 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262556152 432491516 /nfs/dbraw/zinc/49/15/16/432491516.db2.gz UGMFJCMEIOYABA-SFHVURJKSA-N 2 2 313.470 3.304 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262556152 432491517 /nfs/dbraw/zinc/49/15/17/432491517.db2.gz UGMFJCMEIOYABA-SFHVURJKSA-N 2 2 313.470 3.304 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)[C@H](C)C1 ZINC000154022953 432464000 /nfs/dbraw/zinc/46/40/00/432464000.db2.gz FWWNZFSGDPZALI-NJAFHUGGSA-N 2 2 319.493 3.045 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)[C@H](C)C1 ZINC000154022953 432464004 /nfs/dbraw/zinc/46/40/04/432464004.db2.gz FWWNZFSGDPZALI-NJAFHUGGSA-N 2 2 319.493 3.045 20 0 DGADLP C[C@@H](CC[NH2+]Cc1nc(-c2ccccc2)c[nH]1)[NH+]1CCCCC1 ZINC000194415697 432549257 /nfs/dbraw/zinc/54/92/57/432549257.db2.gz MLUNAARGIFEOTD-INIZCTEOSA-N 2 2 312.461 3.431 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1O ZINC000185680407 432524104 /nfs/dbraw/zinc/52/41/04/432524104.db2.gz GQXRVACUORWVLP-IFXJQAMLSA-N 2 2 314.429 3.182 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1O ZINC000185680384 432524235 /nfs/dbraw/zinc/52/42/35/432524235.db2.gz GQXRVACUORWVLP-KUHUBIRLSA-N 2 2 314.429 3.182 20 0 DGADLP Clc1ccc(Cl)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000273199654 432564446 /nfs/dbraw/zinc/56/44/46/432564446.db2.gz QTHIRDLTXSNAOS-UHFFFAOYSA-N 2 2 311.216 3.422 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599164 432530727 /nfs/dbraw/zinc/53/07/27/432530727.db2.gz IUIGBLUGKRHGRC-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599164 432530729 /nfs/dbraw/zinc/53/07/29/432530729.db2.gz IUIGBLUGKRHGRC-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599164 432530733 /nfs/dbraw/zinc/53/07/33/432530733.db2.gz IUIGBLUGKRHGRC-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)[C@H]2C1 ZINC000272599164 432530737 /nfs/dbraw/zinc/53/07/37/432530737.db2.gz IUIGBLUGKRHGRC-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194234509 432534480 /nfs/dbraw/zinc/53/44/80/432534480.db2.gz HWNLHXXITOQFQF-UHFFFAOYSA-N 2 2 312.461 3.287 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000156750361 432605604 /nfs/dbraw/zinc/60/56/04/432605604.db2.gz YMZZJZZLFLTGMV-PNBKFKSVSA-N 2 2 302.462 3.402 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000156750361 432605605 /nfs/dbraw/zinc/60/56/05/432605605.db2.gz YMZZJZZLFLTGMV-PNBKFKSVSA-N 2 2 302.462 3.402 20 0 DGADLP C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186540213 432605964 /nfs/dbraw/zinc/60/59/64/432605964.db2.gz ZMHIJSHANGCFHE-RHSMWYFYSA-N 2 2 311.385 3.240 20 0 DGADLP c1ccc(CC2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC000186580036 432610459 /nfs/dbraw/zinc/61/04/59/432610459.db2.gz LQCRCFKVSQTWFV-UHFFFAOYSA-N 2 2 321.468 3.411 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC(F)F)cc1 ZINC000177348187 432614265 /nfs/dbraw/zinc/61/42/65/432614265.db2.gz IYUFNHCKVIXKQQ-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC(F)F)cc1 ZINC000177348187 432614268 /nfs/dbraw/zinc/61/42/68/432614268.db2.gz IYUFNHCKVIXKQQ-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)cc1 ZINC000177348187 432614271 /nfs/dbraw/zinc/61/42/71/432614271.db2.gz IYUFNHCKVIXKQQ-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)F)cc1 ZINC000177348187 432614273 /nfs/dbraw/zinc/61/42/73/432614273.db2.gz IYUFNHCKVIXKQQ-CABCVRRESA-N 2 2 310.388 3.347 20 0 DGADLP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000155692438 432566992 /nfs/dbraw/zinc/56/69/92/432566992.db2.gz JGZWBAMUVFOELH-RTBURBONSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000155692438 432566995 /nfs/dbraw/zinc/56/69/95/432566995.db2.gz JGZWBAMUVFOELH-RTBURBONSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000155692549 432567612 /nfs/dbraw/zinc/56/76/12/432567612.db2.gz JGZWBAMUVFOELH-OALUTQOASA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000155692549 432567616 /nfs/dbraw/zinc/56/76/16/432567616.db2.gz JGZWBAMUVFOELH-OALUTQOASA-N 2 2 316.489 3.228 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000273218404 432568038 /nfs/dbraw/zinc/56/80/38/432568038.db2.gz MMAQVBAYAMSIQM-ZDUSSCGKSA-N 2 2 314.433 3.192 20 0 DGADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(O)cc(F)c3)C2)[nH+]1 ZINC000186207304 432568599 /nfs/dbraw/zinc/56/85/99/432568599.db2.gz XFBPSKTYRIQTAH-AWEZNQCLSA-N 2 2 315.392 3.169 20 0 DGADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(O)cc(F)c3)C2)[nH+]1 ZINC000186207304 432568603 /nfs/dbraw/zinc/56/86/03/432568603.db2.gz XFBPSKTYRIQTAH-AWEZNQCLSA-N 2 2 315.392 3.169 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(O)c1 ZINC000194845746 432580499 /nfs/dbraw/zinc/58/04/99/432580499.db2.gz IXJYQSNVFGCXQF-HNNXBMFYSA-N 2 2 307.397 3.488 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(O)c1 ZINC000194847337 432581057 /nfs/dbraw/zinc/58/10/57/432581057.db2.gz WNULGIRKKMQLHD-OAHLLOKOSA-N 2 2 307.397 3.488 20 0 DGADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000274233362 432641325 /nfs/dbraw/zinc/64/13/25/432641325.db2.gz PROJZVMWRQARRU-NWDGAFQWSA-N 2 2 313.430 3.444 20 0 DGADLP CCc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000159049330 432669029 /nfs/dbraw/zinc/66/90/29/432669029.db2.gz VZCGIQYJZKKAEJ-OAHLLOKOSA-N 2 2 320.481 3.109 20 0 DGADLP CCc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000159049330 432669032 /nfs/dbraw/zinc/66/90/32/432669032.db2.gz VZCGIQYJZKKAEJ-OAHLLOKOSA-N 2 2 320.481 3.109 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158558660 432649259 /nfs/dbraw/zinc/64/92/59/432649259.db2.gz IBMMNINKSGEENN-AEFFLSMTSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158558660 432649261 /nfs/dbraw/zinc/64/92/61/432649261.db2.gz IBMMNINKSGEENN-AEFFLSMTSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158558660 432649265 /nfs/dbraw/zinc/64/92/65/432649265.db2.gz IBMMNINKSGEENN-AEFFLSMTSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158558660 432649269 /nfs/dbraw/zinc/64/92/69/432649269.db2.gz IBMMNINKSGEENN-AEFFLSMTSA-N 2 2 302.462 3.390 20 0 DGADLP CCn1nc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000274392522 432660657 /nfs/dbraw/zinc/66/06/57/432660657.db2.gz CQVMHRDVHGTJAU-HUUCEWRRSA-N 2 2 300.450 3.019 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384608 432661253 /nfs/dbraw/zinc/66/12/53/432661253.db2.gz UCHKXEZYDOVOJR-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384608 432661258 /nfs/dbraw/zinc/66/12/58/432661258.db2.gz UCHKXEZYDOVOJR-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000274384608 432661262 /nfs/dbraw/zinc/66/12/62/432661262.db2.gz UCHKXEZYDOVOJR-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000274384608 432661266 /nfs/dbraw/zinc/66/12/66/432661266.db2.gz UCHKXEZYDOVOJR-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP CCCCc1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158985263 432665015 /nfs/dbraw/zinc/66/50/15/432665015.db2.gz AVNXWFWOLCZAIG-ZBFHGGJFSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158985263 432665017 /nfs/dbraw/zinc/66/50/17/432665017.db2.gz AVNXWFWOLCZAIG-ZBFHGGJFSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000158985263 432665020 /nfs/dbraw/zinc/66/50/20/432665020.db2.gz AVNXWFWOLCZAIG-ZBFHGGJFSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000158985263 432665021 /nfs/dbraw/zinc/66/50/21/432665021.db2.gz AVNXWFWOLCZAIG-ZBFHGGJFSA-N 2 2 307.507 3.402 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccn1 ZINC000158961361 432665160 /nfs/dbraw/zinc/66/51/60/432665160.db2.gz BZSKZHUUZBOOEF-GOSISDBHSA-N 2 2 305.466 3.013 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000188044734 432700590 /nfs/dbraw/zinc/70/05/90/432700590.db2.gz YUQSKCUAFNKZQR-YZGWKJHDSA-N 2 2 316.489 3.055 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Br)cs1 ZINC000226392559 432706363 /nfs/dbraw/zinc/70/63/63/432706363.db2.gz MXNHLLXDUNFRDB-VHSXEESVSA-N 2 2 314.252 3.446 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000274847415 432717063 /nfs/dbraw/zinc/71/70/63/432717063.db2.gz FHMVUUNQHAQXGK-INIZCTEOSA-N 2 2 323.799 3.058 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000274847415 432717064 /nfs/dbraw/zinc/71/70/64/432717064.db2.gz FHMVUUNQHAQXGK-INIZCTEOSA-N 2 2 323.799 3.058 20 0 DGADLP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(Cl)c1OC ZINC000223948444 432679949 /nfs/dbraw/zinc/67/99/49/432679949.db2.gz UTVKAXIMLJAEKX-UHFFFAOYSA-N 2 2 314.857 3.177 20 0 DGADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c(Cl)c1OC ZINC000223948444 432679954 /nfs/dbraw/zinc/67/99/54/432679954.db2.gz UTVKAXIMLJAEKX-UHFFFAOYSA-N 2 2 314.857 3.177 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979391 432682563 /nfs/dbraw/zinc/68/25/63/432682563.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979391 432682566 /nfs/dbraw/zinc/68/25/66/432682566.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979391 432682568 /nfs/dbraw/zinc/68/25/68/432682568.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979391 432682574 /nfs/dbraw/zinc/68/25/74/432682574.db2.gz OZOPEHFUFADQPR-APWZRJJASA-N 3 2 315.505 3.242 20 0 DGADLP C[C@@H](C[NH2+]Cc1cnc(C2CCCC2)s1)Cn1cc[nH+]c1 ZINC000178619936 432759785 /nfs/dbraw/zinc/75/97/85/432759785.db2.gz BXXAVKMRGKRBPL-ZDUSSCGKSA-N 2 2 304.463 3.423 20 0 DGADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581791 432768260 /nfs/dbraw/zinc/76/82/60/432768260.db2.gz IEKQODQFONFXCL-CRAIPNDOSA-N 2 2 322.880 3.181 20 0 DGADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581791 432768263 /nfs/dbraw/zinc/76/82/63/432768263.db2.gz IEKQODQFONFXCL-CRAIPNDOSA-N 2 2 322.880 3.181 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000266616346 432771350 /nfs/dbraw/zinc/77/13/50/432771350.db2.gz YGSQUSNCCPSWGA-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000266616346 432771353 /nfs/dbraw/zinc/77/13/53/432771353.db2.gz YGSQUSNCCPSWGA-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(O)c1 ZINC000178755896 432775159 /nfs/dbraw/zinc/77/51/59/432775159.db2.gz XPULXUVGOCBAJV-HNNXBMFYSA-N 2 2 311.429 3.102 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCS2 ZINC000276168924 432779772 /nfs/dbraw/zinc/77/97/72/432779772.db2.gz SDAROMPSLPBCHP-DOMZBBRYSA-N 2 2 303.431 3.107 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000178405970 432732565 /nfs/dbraw/zinc/73/25/65/432732565.db2.gz IFZQGIKTDZAGAU-CQSZACIVSA-N 2 2 311.433 3.473 20 0 DGADLP C[N@H+](Cc1sccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000231456810 432732646 /nfs/dbraw/zinc/73/26/46/432732646.db2.gz LVPLGZCKWKCWON-JTQLQIEISA-N 2 2 303.269 3.085 20 0 DGADLP C[N@@H+](Cc1sccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000231456810 432732651 /nfs/dbraw/zinc/73/26/51/432732651.db2.gz LVPLGZCKWKCWON-JTQLQIEISA-N 2 2 303.269 3.085 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000231463696 432733093 /nfs/dbraw/zinc/73/30/93/432733093.db2.gz UYUPQVFDGJSFLJ-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000231463696 432733096 /nfs/dbraw/zinc/73/30/96/432733096.db2.gz UYUPQVFDGJSFLJ-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000232638328 432735711 /nfs/dbraw/zinc/73/57/11/432735711.db2.gz FPPXRXNGIFUIDC-CYBMUJFWSA-N 2 2 313.283 3.310 20 0 DGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000232638328 432735713 /nfs/dbraw/zinc/73/57/13/432735713.db2.gz FPPXRXNGIFUIDC-CYBMUJFWSA-N 2 2 313.283 3.310 20 0 DGADLP CCC[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000161495331 432781810 /nfs/dbraw/zinc/78/18/10/432781810.db2.gz ZZPOVGUTGZWNJK-LBPRGKRZSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000161495331 432781812 /nfs/dbraw/zinc/78/18/12/432781812.db2.gz ZZPOVGUTGZWNJK-LBPRGKRZSA-N 2 2 315.230 3.162 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)c(C)c1 ZINC000275680813 432739302 /nfs/dbraw/zinc/73/93/02/432739302.db2.gz ICIASXCVIGJOKY-MRXNPFEDSA-N 2 2 317.477 3.094 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235665061 432744571 /nfs/dbraw/zinc/74/45/71/432744571.db2.gz QJYZPLGGWMNSCT-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235665061 432744575 /nfs/dbraw/zinc/74/45/75/432744575.db2.gz QJYZPLGGWMNSCT-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000275728354 432744942 /nfs/dbraw/zinc/74/49/42/432744942.db2.gz OOGISVFJHQRLSA-MRXNPFEDSA-N 2 2 320.477 3.099 20 0 DGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000276590154 432820710 /nfs/dbraw/zinc/82/07/10/432820710.db2.gz MWMDOCOQSDEJRC-BQYQJAHWSA-N 2 2 310.401 3.048 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245408178 432826794 /nfs/dbraw/zinc/82/67/94/432826794.db2.gz GAVYYUAJXHVAOD-RBSFLKMASA-N 2 2 312.417 3.072 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)CC2 ZINC000162592291 432828292 /nfs/dbraw/zinc/82/82/92/432828292.db2.gz VWOCEUUZOPWXEI-YJBOKZPZSA-N 2 2 302.462 3.017 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000268025716 432838029 /nfs/dbraw/zinc/83/80/29/432838029.db2.gz JCPIYUPOHHEWDV-ZFWWWQNUSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000268025716 432838033 /nfs/dbraw/zinc/83/80/33/432838033.db2.gz JCPIYUPOHHEWDV-ZFWWWQNUSA-N 2 2 300.368 3.439 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000162899627 432838238 /nfs/dbraw/zinc/83/82/38/432838238.db2.gz LUTOBIHNKYYOAP-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000162899627 432838242 /nfs/dbraw/zinc/83/82/42/432838242.db2.gz LUTOBIHNKYYOAP-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000237445679 432787261 /nfs/dbraw/zinc/78/72/61/432787261.db2.gz NMQGFWPMICWESC-IEBWSBKVSA-N 2 2 316.489 3.497 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000237445679 432787263 /nfs/dbraw/zinc/78/72/63/432787263.db2.gz NMQGFWPMICWESC-IEBWSBKVSA-N 2 2 316.489 3.497 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179039637 432798392 /nfs/dbraw/zinc/79/83/92/432798392.db2.gz INZOMYQKQOBBEO-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179039637 432798395 /nfs/dbraw/zinc/79/83/95/432798395.db2.gz INZOMYQKQOBBEO-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000189720895 432812482 /nfs/dbraw/zinc/81/24/82/432812482.db2.gz KEVHTUCZNXCPBK-UHFFFAOYSA-N 2 2 304.438 3.038 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000268263614 432859764 /nfs/dbraw/zinc/85/97/64/432859764.db2.gz FNMSGNORLPCYRI-UHFFFAOYSA-N 2 2 310.388 3.313 20 0 DGADLP C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1n1cc[nH+]c1 ZINC000268264904 432860090 /nfs/dbraw/zinc/86/00/90/432860090.db2.gz NKAWCCXDACBXCD-WCQYABFASA-N 2 2 310.323 3.384 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245906054 432869469 /nfs/dbraw/zinc/86/94/69/432869469.db2.gz FICUKOYTVROGPM-YLJYHZDGSA-N 2 2 309.457 3.493 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245906054 432869470 /nfs/dbraw/zinc/86/94/70/432869470.db2.gz FICUKOYTVROGPM-YLJYHZDGSA-N 2 2 309.457 3.493 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)o2)[C@H](C)C1 ZINC000245989371 432873700 /nfs/dbraw/zinc/87/37/00/432873700.db2.gz FUFBVHYZUJLJBR-CRAIPNDOSA-N 2 2 308.466 3.069 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)o2)[C@H](C)C1 ZINC000245989371 432873702 /nfs/dbraw/zinc/87/37/02/432873702.db2.gz FUFBVHYZUJLJBR-CRAIPNDOSA-N 2 2 308.466 3.069 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000277785261 432875854 /nfs/dbraw/zinc/87/58/54/432875854.db2.gz SAGSKDKCJPTKQF-LLVKDONJSA-N 2 2 310.323 3.203 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000277785261 432875855 /nfs/dbraw/zinc/87/58/55/432875855.db2.gz SAGSKDKCJPTKQF-LLVKDONJSA-N 2 2 310.323 3.203 20 0 DGADLP C[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245568313 432845867 /nfs/dbraw/zinc/84/58/67/432845867.db2.gz FYASEDDCIVJKKG-SUMWQHHRSA-N 2 2 305.372 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245568313 432845871 /nfs/dbraw/zinc/84/58/71/432845871.db2.gz FYASEDDCIVJKKG-SUMWQHHRSA-N 2 2 305.372 3.287 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000245568934 432846888 /nfs/dbraw/zinc/84/68/88/432846888.db2.gz YHNSQWZLSIUCTI-IEBWSBKVSA-N 2 2 302.462 3.090 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000245568934 432846891 /nfs/dbraw/zinc/84/68/91/432846891.db2.gz YHNSQWZLSIUCTI-IEBWSBKVSA-N 2 2 302.462 3.090 20 0 DGADLP c1sc(C2CC2)nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245667728 432853903 /nfs/dbraw/zinc/85/39/03/432853903.db2.gz RJJZGOPMLUKPPO-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245667728 432853905 /nfs/dbraw/zinc/85/39/05/432853905.db2.gz RJJZGOPMLUKPPO-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245667728 432853907 /nfs/dbraw/zinc/85/39/07/432853907.db2.gz RJJZGOPMLUKPPO-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245667728 432853911 /nfs/dbraw/zinc/85/39/11/432853911.db2.gz RJJZGOPMLUKPPO-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP Cc1nc2ccccc2n1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000289160575 432928953 /nfs/dbraw/zinc/92/89/53/432928953.db2.gz DOPGJYJGRXEQML-UHFFFAOYSA-N 2 2 308.429 3.271 20 0 DGADLP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289253336 432937831 /nfs/dbraw/zinc/93/78/31/432937831.db2.gz BQHNFYAJSSIJRG-CXAGYDPISA-N 2 2 319.836 3.078 20 0 DGADLP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCc1c[nH+]cn1C ZINC000289253336 432937832 /nfs/dbraw/zinc/93/78/32/432937832.db2.gz BQHNFYAJSSIJRG-CXAGYDPISA-N 2 2 319.836 3.078 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000289296733 432941399 /nfs/dbraw/zinc/94/13/99/432941399.db2.gz RRDPMYONXVVLRD-MKBNYLNASA-N 2 2 304.409 3.036 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000289296733 432941401 /nfs/dbraw/zinc/94/14/01/432941401.db2.gz RRDPMYONXVVLRD-MKBNYLNASA-N 2 2 304.409 3.036 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847451 432908121 /nfs/dbraw/zinc/90/81/21/432908121.db2.gz QBTUOGKHNLSDPI-FTGAXOIBSA-N 2 2 302.796 3.437 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847451 432908123 /nfs/dbraw/zinc/90/81/23/432908123.db2.gz QBTUOGKHNLSDPI-FTGAXOIBSA-N 2 2 302.796 3.437 20 0 DGADLP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000278967354 432921980 /nfs/dbraw/zinc/92/19/80/432921980.db2.gz PSDYLTMVQXPAPK-MRXNPFEDSA-N 2 2 307.825 3.246 20 0 DGADLP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000278967354 432921982 /nfs/dbraw/zinc/92/19/82/432921982.db2.gz PSDYLTMVQXPAPK-MRXNPFEDSA-N 2 2 307.825 3.246 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137986 432973784 /nfs/dbraw/zinc/97/37/84/432973784.db2.gz AQSJSXQIBROYDT-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137986 432973790 /nfs/dbraw/zinc/97/37/90/432973790.db2.gz AQSJSXQIBROYDT-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137986 432973793 /nfs/dbraw/zinc/97/37/93/432973793.db2.gz AQSJSXQIBROYDT-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@H]21 ZINC000341137986 432973796 /nfs/dbraw/zinc/97/37/96/432973796.db2.gz AQSJSXQIBROYDT-WMLDXEAASA-N 2 2 320.864 3.191 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C2 ZINC000349566222 432976986 /nfs/dbraw/zinc/97/69/86/432976986.db2.gz QSMGYFWOMGNEPE-CQSZACIVSA-N 2 2 317.408 3.130 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000297239790 432979523 /nfs/dbraw/zinc/97/95/23/432979523.db2.gz ILOVMAPUMBMYGW-ZIAGYGMSSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000297239790 432979528 /nfs/dbraw/zinc/97/95/28/432979528.db2.gz ILOVMAPUMBMYGW-ZIAGYGMSSA-N 3 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@@H+]1C ZINC000297239790 432979532 /nfs/dbraw/zinc/97/95/32/432979532.db2.gz ILOVMAPUMBMYGW-ZIAGYGMSSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239790 432979536 /nfs/dbraw/zinc/97/95/36/432979536.db2.gz ILOVMAPUMBMYGW-ZIAGYGMSSA-N 2 2 318.852 3.098 20 0 DGADLP Clc1cnc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000349604183 432982363 /nfs/dbraw/zinc/98/23/63/432982363.db2.gz ZHOHDQGCMPFDHC-UHFFFAOYSA-N 2 2 304.806 3.272 20 0 DGADLP CCn1nc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c2ccccc21 ZINC000349648114 432985206 /nfs/dbraw/zinc/98/52/06/432985206.db2.gz XQELRQGUNRLKLN-INIZCTEOSA-N 2 2 314.477 3.410 20 0 DGADLP Cc1ccc(N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)[nH+]c1 ZINC000349668193 432989471 /nfs/dbraw/zinc/98/94/71/432989471.db2.gz NANJARQREMQNKQ-UHFFFAOYSA-N 2 2 322.865 3.259 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000290116434 432995114 /nfs/dbraw/zinc/99/51/14/432995114.db2.gz TVRLSVHMMHMVGZ-UHFFFAOYSA-N 2 2 307.825 3.017 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000290116434 432995118 /nfs/dbraw/zinc/99/51/18/432995118.db2.gz TVRLSVHMMHMVGZ-UHFFFAOYSA-N 2 2 307.825 3.017 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000290234018 433018334 /nfs/dbraw/zinc/01/83/34/433018334.db2.gz GBJVXEIJZNNKRX-UHFFFAOYSA-N 2 2 312.413 3.274 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)Cn3cc[nH+]c3C)cc2[nH+]1 ZINC000297854205 433024642 /nfs/dbraw/zinc/02/46/42/433024642.db2.gz PJMYQFARUAMBTH-UHFFFAOYSA-N 2 2 311.389 3.049 20 0 DGADLP C[NH+]1CCC(N(Cc2ccco2)Cc2cccc3[nH+]ccn32)CC1 ZINC000290401721 433045745 /nfs/dbraw/zinc/04/57/45/433045745.db2.gz JKGAQKPCTMEFJE-UHFFFAOYSA-N 2 2 324.428 3.024 20 0 DGADLP CCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(Cl)c1O ZINC000297866243 433026380 /nfs/dbraw/zinc/02/63/80/433026380.db2.gz ZCWDYKFOZSQEJE-UHFFFAOYSA-N 2 2 324.852 3.161 20 0 DGADLP Clc1c[nH+]ccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349903013 433032188 /nfs/dbraw/zinc/03/21/88/433032188.db2.gz LTOUXGGJWODGSI-UHFFFAOYSA-N 2 2 310.788 3.483 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000290326049 433033304 /nfs/dbraw/zinc/03/33/04/433033304.db2.gz JWXGFLNFRIOSPC-GDBMZVCRSA-N 2 2 304.459 3.486 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000290365019 433038769 /nfs/dbraw/zinc/03/87/69/433038769.db2.gz QYNJRWWEJPTWHX-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000290365019 433038773 /nfs/dbraw/zinc/03/87/73/433038773.db2.gz QYNJRWWEJPTWHX-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393937 433044189 /nfs/dbraw/zinc/04/41/89/433044189.db2.gz IYZQEYRTBUMQKU-FZMZJTMJSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393937 433044194 /nfs/dbraw/zinc/04/41/94/433044194.db2.gz IYZQEYRTBUMQKU-FZMZJTMJSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393937 433044197 /nfs/dbraw/zinc/04/41/97/433044197.db2.gz IYZQEYRTBUMQKU-FZMZJTMJSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393937 433044201 /nfs/dbraw/zinc/04/42/01/433044201.db2.gz IYZQEYRTBUMQKU-FZMZJTMJSA-N 2 2 316.367 3.199 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000290411796 433048844 /nfs/dbraw/zinc/04/88/44/433048844.db2.gz QFQPGIVRPSSPNC-UHFFFAOYSA-N 2 2 324.472 3.498 20 0 DGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000333364397 433050359 /nfs/dbraw/zinc/05/03/59/433050359.db2.gz XXNFUQPQPVVGEI-SFHVURJKSA-N 2 2 324.428 3.218 20 0 DGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000333364397 433050363 /nfs/dbraw/zinc/05/03/63/433050363.db2.gz XXNFUQPQPVVGEI-SFHVURJKSA-N 2 2 324.428 3.218 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000155665090 292712742 /nfs/dbraw/zinc/71/27/42/292712742.db2.gz FWRXRPOGDXQMGG-FQEVSTJZSA-N 2 2 321.424 3.465 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000290480352 433063403 /nfs/dbraw/zinc/06/34/03/433063403.db2.gz VIFLWFUQSVRNLQ-MRXNPFEDSA-N 2 2 322.811 3.438 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000373100247 433091304 /nfs/dbraw/zinc/09/13/04/433091304.db2.gz QXNQUVNUIDPDPI-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000373100247 433091313 /nfs/dbraw/zinc/09/13/13/433091313.db2.gz QXNQUVNUIDPDPI-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cc1cc(NCCCCC[NH+]2CCCCC2)nc(C2CC2)[nH+]1 ZINC000341496968 433095213 /nfs/dbraw/zinc/09/52/13/433095213.db2.gz IYJDHCXULVZGPT-UHFFFAOYSA-N 2 2 302.466 3.731 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@]3(CC[NH2+]C3)C2)nc(C(C)(C)C)[nH+]1 ZINC000420226389 433129709 /nfs/dbraw/zinc/12/97/09/433129709.db2.gz GPRJUIVEYPVYTN-IBGZPJMESA-N 2 2 316.493 3.261 20 0 DGADLP COCCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000361368764 433135066 /nfs/dbraw/zinc/13/50/66/433135066.db2.gz SKUMLKQQYKPCSK-UHFFFAOYSA-N 2 2 322.415 3.200 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2cc1Cl ZINC000420258416 433136232 /nfs/dbraw/zinc/13/62/32/433136232.db2.gz LBANNZCKVDIBNU-WDEREUQCSA-N 2 2 305.784 3.073 20 0 DGADLP CCCOc1cccc2c(N3CC[C@H]4C[NH2+]C[C@H]4C3)cc[nH+]c12 ZINC000420260854 433137302 /nfs/dbraw/zinc/13/73/02/433137302.db2.gz OLGZIKJDDYMEEO-GJZGRUSLSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420253506 433138764 /nfs/dbraw/zinc/13/87/64/433138764.db2.gz BCFFHIHFSDGNIY-ZIAGYGMSSA-N 2 2 316.493 3.260 20 0 DGADLP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354549432 433143667 /nfs/dbraw/zinc/14/36/67/433143667.db2.gz YEGJXFFKVCWVKO-JYBIWHBTSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354549432 433143676 /nfs/dbraw/zinc/14/36/76/433143676.db2.gz YEGJXFFKVCWVKO-JYBIWHBTSA-N 2 2 316.489 3.038 20 0 DGADLP C[N@H+](CCCC[NH2+][C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000453394768 433149606 /nfs/dbraw/zinc/14/96/06/433149606.db2.gz GZSYLDRNXAUQLX-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP C[N@@H+](CCCC[NH2+][C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000453394768 433149616 /nfs/dbraw/zinc/14/96/16/433149616.db2.gz GZSYLDRNXAUQLX-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP C[NH+](CCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000453394768 433149629 /nfs/dbraw/zinc/14/96/29/433149629.db2.gz GZSYLDRNXAUQLX-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP C[NH+](CCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000453394768 433149637 /nfs/dbraw/zinc/14/96/37/433149637.db2.gz GZSYLDRNXAUQLX-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000420308197 433153567 /nfs/dbraw/zinc/15/35/67/433153567.db2.gz CPNCZEOEZJZDTD-MRXNPFEDSA-N 2 2 316.474 3.012 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000420308197 433153574 /nfs/dbraw/zinc/15/35/74/433153574.db2.gz CPNCZEOEZJZDTD-MRXNPFEDSA-N 2 2 316.474 3.012 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446757783 433105010 /nfs/dbraw/zinc/10/50/10/433105010.db2.gz WFHAFCCFUOHLLO-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446757783 433105018 /nfs/dbraw/zinc/10/50/18/433105018.db2.gz WFHAFCCFUOHLLO-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP C[NH2+]C[C@@H]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000420114357 433111085 /nfs/dbraw/zinc/11/10/85/433111085.db2.gz DLXDYSLFJWQSLX-AWEZNQCLSA-N 2 2 304.482 3.333 20 0 DGADLP C(c1noc(C2CCCCC2)n1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333823578 433111308 /nfs/dbraw/zinc/11/13/08/433111308.db2.gz IBHKCYHVJXHFEQ-INIZCTEOSA-N 2 2 318.465 3.081 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000453349744 433112442 /nfs/dbraw/zinc/11/24/42/433112442.db2.gz LXZDFPMCOVINGM-UBJLHIIHSA-N 2 2 319.396 3.438 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000453349744 433112448 /nfs/dbraw/zinc/11/24/48/433112448.db2.gz LXZDFPMCOVINGM-UBJLHIIHSA-N 2 2 319.396 3.438 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000290624756 433119390 /nfs/dbraw/zinc/11/93/90/433119390.db2.gz XMVDDYURYFTBRL-LJQANCHMSA-N 2 2 315.436 3.354 20 0 DGADLP c1csc(-c2nc(C[NH2+]C3CC[NH+](C4CC4)CC3)co2)c1 ZINC000298500968 433158049 /nfs/dbraw/zinc/15/80/49/433158049.db2.gz QLQQLFUSSIYODU-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000361500629 433209720 /nfs/dbraw/zinc/20/97/20/433209720.db2.gz HGNIQMFQDIMTAL-MRXNPFEDSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CC1CCC1)[C@H](C)CO ZINC000361500629 433209728 /nfs/dbraw/zinc/20/97/28/433209728.db2.gz HGNIQMFQDIMTAL-MRXNPFEDSA-N 2 2 313.445 3.164 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000280762650 433165188 /nfs/dbraw/zinc/16/51/88/433165188.db2.gz DPSAADNCYBZIES-RBSFLKMASA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000280762650 433165194 /nfs/dbraw/zinc/16/51/94/433165194.db2.gz DPSAADNCYBZIES-RBSFLKMASA-N 2 2 320.477 3.268 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)O1 ZINC000453411266 433166713 /nfs/dbraw/zinc/16/67/13/433166713.db2.gz QORIIGDCOFUCJJ-KDOFPFPSSA-N 2 2 322.880 3.462 20 0 DGADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000453415990 433170926 /nfs/dbraw/zinc/17/09/26/433170926.db2.gz BSCABSJIGZWZEQ-MOPGFXCFSA-N 2 2 301.478 3.460 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420357338 433174436 /nfs/dbraw/zinc/17/44/36/433174436.db2.gz HJVNCNRQFWKXLY-INIZCTEOSA-N 2 2 318.852 3.003 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2c[nH+]c3cccc(C)n23)c1C ZINC000350461852 433174503 /nfs/dbraw/zinc/17/45/03/433174503.db2.gz OERDWGICYIMCAI-UHFFFAOYSA-N 2 2 324.428 3.295 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420356816 433178520 /nfs/dbraw/zinc/17/85/20/433178520.db2.gz GPOQYDPMISFUIC-CQSZACIVSA-N 2 2 305.447 3.189 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453430102 433179617 /nfs/dbraw/zinc/17/96/17/433179617.db2.gz QZHPKLBNRZBANY-NEWSRXKRSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453430102 433179621 /nfs/dbraw/zinc/17/96/21/433179621.db2.gz QZHPKLBNRZBANY-NEWSRXKRSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000420365843 433180175 /nfs/dbraw/zinc/18/01/75/433180175.db2.gz STPTUOXWCCVHEZ-OAHLLOKOSA-N 2 2 314.433 3.217 20 0 DGADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)c1 ZINC000420365843 433180185 /nfs/dbraw/zinc/18/01/85/433180185.db2.gz STPTUOXWCCVHEZ-OAHLLOKOSA-N 2 2 314.433 3.217 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1C ZINC000420371349 433181422 /nfs/dbraw/zinc/18/14/22/433181422.db2.gz PIKIWAQKQAVKFL-VZMUKZCBSA-N 2 2 302.462 3.291 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346644 433184957 /nfs/dbraw/zinc/18/49/57/433184957.db2.gz WRNNJRJUSOVCSG-NVXWUHKLSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346644 433184964 /nfs/dbraw/zinc/18/49/64/433184964.db2.gz WRNNJRJUSOVCSG-NVXWUHKLSA-N 2 2 312.461 3.173 20 0 DGADLP CC(C)(C)[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(F)cc1 ZINC000420372168 433186233 /nfs/dbraw/zinc/18/62/33/433186233.db2.gz LHKRRMKASDVXJA-CQSZACIVSA-N 2 2 320.412 3.280 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420372632 433188751 /nfs/dbraw/zinc/18/87/51/433188751.db2.gz QHNFBWWKLUBYCH-GPCCPHFNSA-N 2 2 315.230 3.064 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000354630830 433188868 /nfs/dbraw/zinc/18/88/68/433188868.db2.gz KZVZKXNUAQTXND-PWIZWCRZSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000354630830 433188875 /nfs/dbraw/zinc/18/88/75/433188875.db2.gz KZVZKXNUAQTXND-PWIZWCRZSA-N 2 2 316.489 3.302 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1c1ccccc1F ZINC000420387802 433192120 /nfs/dbraw/zinc/19/21/20/433192120.db2.gz KYFKJKJVEUXPQV-PKOBYXMFSA-N 2 2 320.452 3.149 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1c1ccccc1F ZINC000420387802 433192128 /nfs/dbraw/zinc/19/21/28/433192128.db2.gz KYFKJKJVEUXPQV-PKOBYXMFSA-N 2 2 320.452 3.149 20 0 DGADLP c1c[nH+]c(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)[nH]1 ZINC000280828949 433192357 /nfs/dbraw/zinc/19/23/57/433192357.db2.gz KXBIBMQTGCJEAT-UHFFFAOYSA-N 2 2 311.429 3.157 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420391141 433195619 /nfs/dbraw/zinc/19/56/19/433195619.db2.gz YPWNZOKSLLDUDK-QGZVFWFLSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420391141 433195623 /nfs/dbraw/zinc/19/56/23/433195623.db2.gz YPWNZOKSLLDUDK-QGZVFWFLSA-N 2 2 317.458 3.287 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420405466 433198378 /nfs/dbraw/zinc/19/83/78/433198378.db2.gz MYALIVLQAFNYEA-FRRDWIJNSA-N 2 2 322.403 3.409 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420405466 433198381 /nfs/dbraw/zinc/19/83/81/433198381.db2.gz MYALIVLQAFNYEA-FRRDWIJNSA-N 2 2 322.403 3.409 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422594 433240598 /nfs/dbraw/zinc/24/05/98/433240598.db2.gz PJEMSYUVVBGQNE-APWZRJJASA-N 2 2 313.445 3.234 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422594 433240607 /nfs/dbraw/zinc/24/06/07/433240607.db2.gz PJEMSYUVVBGQNE-APWZRJJASA-N 2 2 313.445 3.234 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604323 433242628 /nfs/dbraw/zinc/24/26/28/433242628.db2.gz ZXTVGLIDSPSHPJ-DOTOQJQBSA-N 2 2 301.478 3.420 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604323 433242638 /nfs/dbraw/zinc/24/26/38/433242638.db2.gz ZXTVGLIDSPSHPJ-DOTOQJQBSA-N 2 2 301.478 3.420 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000291519886 433256736 /nfs/dbraw/zinc/25/67/36/433256736.db2.gz JAPRANPITRKYME-CQSZACIVSA-N 2 2 316.367 3.327 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000291519886 433256742 /nfs/dbraw/zinc/25/67/42/433256742.db2.gz JAPRANPITRKYME-CQSZACIVSA-N 2 2 316.367 3.327 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595223 433277724 /nfs/dbraw/zinc/27/77/24/433277724.db2.gz TZYKDAMOEWUWTJ-MJGOQNOKSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595223 433277735 /nfs/dbraw/zinc/27/77/35/433277735.db2.gz TZYKDAMOEWUWTJ-MJGOQNOKSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595223 433277747 /nfs/dbraw/zinc/27/77/47/433277747.db2.gz TZYKDAMOEWUWTJ-MJGOQNOKSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595223 433277757 /nfs/dbraw/zinc/27/77/57/433277757.db2.gz TZYKDAMOEWUWTJ-MJGOQNOKSA-N 2 2 300.446 3.001 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000338194389 433283611 /nfs/dbraw/zinc/28/36/11/433283611.db2.gz WYFWFTTUZUEWAG-GFCCVEGCSA-N 2 2 317.260 3.194 20 0 DGADLP C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000350802084 433288297 /nfs/dbraw/zinc/28/82/97/433288297.db2.gz MLOKJFPARICXMO-ROUUACIJSA-N 2 2 316.489 3.435 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000447820411 433288592 /nfs/dbraw/zinc/28/85/92/433288592.db2.gz GPHVDOLDHDAMBQ-HXUWFJFHSA-N 2 2 324.472 3.156 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000447820411 433288600 /nfs/dbraw/zinc/28/86/00/433288600.db2.gz GPHVDOLDHDAMBQ-HXUWFJFHSA-N 2 2 324.472 3.156 20 0 DGADLP CCC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420899841 433298173 /nfs/dbraw/zinc/29/81/73/433298173.db2.gz GQMGRVWZBLUQMR-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900210 433302768 /nfs/dbraw/zinc/30/27/68/433302768.db2.gz HNEDMBQZZFZKKZ-INIZCTEOSA-N 2 2 314.429 3.305 20 0 DGADLP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900210 433302773 /nfs/dbraw/zinc/30/27/73/433302773.db2.gz HNEDMBQZZFZKKZ-INIZCTEOSA-N 2 2 314.429 3.305 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000361691260 433347975 /nfs/dbraw/zinc/34/79/75/433347975.db2.gz BQFLUPUVYSQFBI-SFHVURJKSA-N 2 2 311.404 3.339 20 0 DGADLP CC(C)[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341916411 433358352 /nfs/dbraw/zinc/35/83/52/433358352.db2.gz WKPJQBSSTUDGCA-IBGZPJMESA-N 2 2 304.478 3.396 20 0 DGADLP CC(C)[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341916411 433358361 /nfs/dbraw/zinc/35/83/61/433358361.db2.gz WKPJQBSSTUDGCA-IBGZPJMESA-N 2 2 304.478 3.396 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915633 433358400 /nfs/dbraw/zinc/35/84/00/433358400.db2.gz WSKDSCSGDXYQOJ-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915633 433358408 /nfs/dbraw/zinc/35/84/08/433358408.db2.gz WSKDSCSGDXYQOJ-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915633 433358414 /nfs/dbraw/zinc/35/84/14/433358414.db2.gz WSKDSCSGDXYQOJ-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915633 433358422 /nfs/dbraw/zinc/35/84/22/433358422.db2.gz WSKDSCSGDXYQOJ-WSTZPKSXSA-N 2 2 316.489 3.255 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c[nH+]1 ZINC000354931455 433366119 /nfs/dbraw/zinc/36/61/19/433366119.db2.gz BPHGBGMAYJCTRR-GOSISDBHSA-N 2 2 309.457 3.221 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1)C[NH+](C)C ZINC000425935186 433376591 /nfs/dbraw/zinc/37/65/91/433376591.db2.gz HERMVMLQQFCUKU-KBXCAEBGSA-N 2 2 301.409 3.097 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc3c(c1)COC3)CCC2 ZINC000361664332 433329993 /nfs/dbraw/zinc/32/99/93/433329993.db2.gz KYXAIZRDPJVKSS-GDBMZVCRSA-N 2 2 311.429 3.450 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885723 433335770 /nfs/dbraw/zinc/33/57/70/433335770.db2.gz FZCACZPFVUTRPU-WFASDCNBSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885723 433335779 /nfs/dbraw/zinc/33/57/79/433335779.db2.gz FZCACZPFVUTRPU-WFASDCNBSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885723 433335786 /nfs/dbraw/zinc/33/57/86/433335786.db2.gz FZCACZPFVUTRPU-WFASDCNBSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C ZINC000341885723 433335793 /nfs/dbraw/zinc/33/57/93/433335793.db2.gz FZCACZPFVUTRPU-WFASDCNBSA-N 2 2 315.383 3.405 20 0 DGADLP CSCc1cnc(C[NH2+]C2CC[NH+](CC(C)C)CC2)s1 ZINC000339185755 433425709 /nfs/dbraw/zinc/42/57/09/433425709.db2.gz BXNPOTFZJVZOGH-UHFFFAOYSA-N 2 2 313.536 3.216 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000361869434 433430928 /nfs/dbraw/zinc/43/09/28/433430928.db2.gz UUWWRPCPPWXWNV-HXUWFJFHSA-N 2 2 321.424 3.394 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448355974 433389449 /nfs/dbraw/zinc/38/94/49/433389449.db2.gz QNWVDMJAEDGLMY-YJBOKZPZSA-N 2 2 304.478 3.423 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448355974 433389459 /nfs/dbraw/zinc/38/94/59/433389459.db2.gz QNWVDMJAEDGLMY-YJBOKZPZSA-N 2 2 304.478 3.423 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025358 433390142 /nfs/dbraw/zinc/39/01/42/433390142.db2.gz YLRBTYMWPPOGLU-QGZVFWFLSA-N 2 2 313.445 3.165 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421025358 433390151 /nfs/dbraw/zinc/39/01/51/433390151.db2.gz YLRBTYMWPPOGLU-QGZVFWFLSA-N 2 2 313.445 3.165 20 0 DGADLP C[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341983268 433394151 /nfs/dbraw/zinc/39/41/51/433394151.db2.gz MIGKXBXCIGWGSC-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@H]1COCC[N@H+]1CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341983268 433394163 /nfs/dbraw/zinc/39/41/63/433394163.db2.gz MIGKXBXCIGWGSC-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP CC[C@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC[NH2+]C1 ZINC000361799226 433395766 /nfs/dbraw/zinc/39/57/66/433395766.db2.gz MVPSJLALWLZGIY-SFHVURJKSA-N 2 2 312.417 3.159 20 0 DGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)oc2c1 ZINC000426018033 433403893 /nfs/dbraw/zinc/40/38/93/433403893.db2.gz FAZPOKVHNQBQKL-HOTGVXAUSA-N 2 2 316.445 3.360 20 0 DGADLP CC[N@H+](CCNC1CC[NH+](C(C)(C)C)CC1)CCC(F)(F)F ZINC000426060532 433411796 /nfs/dbraw/zinc/41/17/96/433411796.db2.gz RMACGLPWLUWCKB-UHFFFAOYSA-N 2 2 323.447 3.113 20 0 DGADLP CC[N@@H+](CCNC1CC[NH+](C(C)(C)C)CC1)CCC(F)(F)F ZINC000426060532 433411802 /nfs/dbraw/zinc/41/18/02/433411802.db2.gz RMACGLPWLUWCKB-UHFFFAOYSA-N 2 2 323.447 3.113 20 0 DGADLP Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301101792 433414530 /nfs/dbraw/zinc/41/45/30/433414530.db2.gz YVFYKXOZXQEQOM-GJZGRUSLSA-N 2 2 320.481 3.208 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052234 433439167 /nfs/dbraw/zinc/43/91/67/433439167.db2.gz BRSNGGZTAKBILT-KXBFYZLASA-N 2 2 311.429 3.430 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052234 433439179 /nfs/dbraw/zinc/43/91/79/433439179.db2.gz BRSNGGZTAKBILT-KXBFYZLASA-N 2 2 311.429 3.430 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292052234 433439184 /nfs/dbraw/zinc/43/91/84/433439184.db2.gz BRSNGGZTAKBILT-KXBFYZLASA-N 2 2 311.429 3.430 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292052234 433439193 /nfs/dbraw/zinc/43/91/93/433439193.db2.gz BRSNGGZTAKBILT-KXBFYZLASA-N 2 2 311.429 3.430 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ncc(CSC)s2)CC1 ZINC000339217627 433446167 /nfs/dbraw/zinc/44/61/67/433446167.db2.gz ZTCYNPVJPPTKLX-UHFFFAOYSA-N 2 2 313.536 3.360 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]3C3CC3)CC2)nc1 ZINC000414201122 433458553 /nfs/dbraw/zinc/45/85/53/433458553.db2.gz SNAPTFCXSRBEGY-PXNSSMCTSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2o1 ZINC000158987631 292781820 /nfs/dbraw/zinc/78/18/20/292781820.db2.gz BMXGAUVJELOTCD-NVXWUHKLSA-N 2 2 316.445 3.176 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000423496106 290035474 /nfs/dbraw/zinc/03/54/74/290035474.db2.gz DEKNEMKKBRSYTJ-XHDPSFHLSA-N 2 2 320.868 3.395 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108695 433464367 /nfs/dbraw/zinc/46/43/67/433464367.db2.gz IUXQWXABNYBICK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108695 433464375 /nfs/dbraw/zinc/46/43/75/433464375.db2.gz IUXQWXABNYBICK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108695 433464383 /nfs/dbraw/zinc/46/43/83/433464383.db2.gz IUXQWXABNYBICK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108695 433464391 /nfs/dbraw/zinc/46/43/91/433464391.db2.gz IUXQWXABNYBICK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2s1 ZINC000426360899 433472623 /nfs/dbraw/zinc/47/26/23/433472623.db2.gz HFCKSPAGYLLVDW-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2s1 ZINC000426360899 433472631 /nfs/dbraw/zinc/47/26/31/433472631.db2.gz HFCKSPAGYLLVDW-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc2s1 ZINC000426360899 433472638 /nfs/dbraw/zinc/47/26/38/433472638.db2.gz HFCKSPAGYLLVDW-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc2s1 ZINC000426360899 433472647 /nfs/dbraw/zinc/47/26/47/433472647.db2.gz HFCKSPAGYLLVDW-GDBMZVCRSA-N 2 2 301.459 3.131 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237974 433476944 /nfs/dbraw/zinc/47/69/44/433476944.db2.gz LWUNVMYVPHMONX-FEHORTKBSA-N 2 2 316.489 3.443 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237974 433476949 /nfs/dbraw/zinc/47/69/49/433476949.db2.gz LWUNVMYVPHMONX-FEHORTKBSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(C3CC3)c2)C[C@@H](C)O1 ZINC000421335096 433484703 /nfs/dbraw/zinc/48/47/03/433484703.db2.gz RTIHDXMDVRNDCO-HZPDHXFCSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414289543 433515753 /nfs/dbraw/zinc/51/57/53/433515753.db2.gz MRSDGFKIDGBZLA-CYBMUJFWSA-N 2 2 312.417 3.392 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171590 433518518 /nfs/dbraw/zinc/51/85/18/433518518.db2.gz QWMVVBZVBOXHFC-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171590 433518524 /nfs/dbraw/zinc/51/85/24/433518524.db2.gz QWMVVBZVBOXHFC-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@H]([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171590 433518533 /nfs/dbraw/zinc/51/85/33/433518533.db2.gz QWMVVBZVBOXHFC-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@H]([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171590 433518538 /nfs/dbraw/zinc/51/85/38/433518538.db2.gz QWMVVBZVBOXHFC-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000414298181 433524573 /nfs/dbraw/zinc/52/45/73/433524573.db2.gz GTKJBSNWKWSUJQ-RYRKJORJSA-N 2 2 302.462 3.054 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000414298181 433524581 /nfs/dbraw/zinc/52/45/81/433524581.db2.gz GTKJBSNWKWSUJQ-RYRKJORJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381508 433525777 /nfs/dbraw/zinc/52/57/77/433525777.db2.gz WWCIAJXUFFYZAX-AEFFLSMTSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381508 433525782 /nfs/dbraw/zinc/52/57/82/433525782.db2.gz WWCIAJXUFFYZAX-AEFFLSMTSA-N 2 2 302.462 3.107 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000414298184 433525969 /nfs/dbraw/zinc/52/59/69/433525969.db2.gz GTKJBSNWKWSUJQ-SOLBZPMBSA-N 2 2 302.462 3.054 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000414298184 433525979 /nfs/dbraw/zinc/52/59/79/433525979.db2.gz GTKJBSNWKWSUJQ-SOLBZPMBSA-N 2 2 302.462 3.054 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1ccccc1)C1CC1 ZINC000351488124 433528448 /nfs/dbraw/zinc/52/84/48/433528448.db2.gz DSFWXPXFOIKQKT-HXUWFJFHSA-N 2 2 324.468 3.241 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1)C1CC1 ZINC000351488124 433528452 /nfs/dbraw/zinc/52/84/52/433528452.db2.gz DSFWXPXFOIKQKT-HXUWFJFHSA-N 2 2 324.468 3.241 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](C)[NH+](C)C ZINC000342191286 433531468 /nfs/dbraw/zinc/53/14/68/433531468.db2.gz KVBFOLHWUWVHIM-MNOVXSKESA-N 2 2 317.246 3.059 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000282210278 433531755 /nfs/dbraw/zinc/53/17/55/433531755.db2.gz OJUGIGZOOSWRAX-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000282210278 433531764 /nfs/dbraw/zinc/53/17/64/433531764.db2.gz OJUGIGZOOSWRAX-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)s1 ZINC000355203382 433532028 /nfs/dbraw/zinc/53/20/28/433532028.db2.gz FERSXEGGMQXXNI-KWCYVHTRSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)s1 ZINC000355203382 433532036 /nfs/dbraw/zinc/53/20/36/433532036.db2.gz FERSXEGGMQXXNI-KWCYVHTRSA-N 2 2 314.882 3.085 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339275206 433488334 /nfs/dbraw/zinc/48/83/34/433488334.db2.gz YYRKDSSGBNIMLU-INIZCTEOSA-N 2 2 302.462 3.155 20 0 DGADLP COCC(C)(C)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000426409406 433493075 /nfs/dbraw/zinc/49/30/75/433493075.db2.gz DYKITSAERBQTIV-INIZCTEOSA-N 2 2 315.461 3.482 20 0 DGADLP COCC(C)(C)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000426409406 433493082 /nfs/dbraw/zinc/49/30/82/433493082.db2.gz DYKITSAERBQTIV-INIZCTEOSA-N 2 2 315.461 3.482 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@@H](C)[NH+]1CCOCC1 ZINC000301292766 433493869 /nfs/dbraw/zinc/49/38/69/433493869.db2.gz QUOADCUNRPOAPZ-CHWSQXEVSA-N 2 2 319.836 3.409 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000342147787 433500583 /nfs/dbraw/zinc/50/05/83/433500583.db2.gz UZKJAPBAHGFQLY-HNNXBMFYSA-N 2 2 323.440 3.152 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000355165844 433504667 /nfs/dbraw/zinc/50/46/67/433504667.db2.gz QJAGEIFCNPZGPQ-WUJZJPHMSA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000355165844 433504678 /nfs/dbraw/zinc/50/46/78/433504678.db2.gz QJAGEIFCNPZGPQ-WUJZJPHMSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)CC(F)(F)F ZINC000414278375 433506133 /nfs/dbraw/zinc/50/61/33/433506133.db2.gz HVKAGTHWTXNWJS-CYBMUJFWSA-N 2 2 315.383 3.224 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414281605 433509727 /nfs/dbraw/zinc/50/97/27/433509727.db2.gz MSUJNDPPJNTKFU-JFRXWTBNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414281605 433509732 /nfs/dbraw/zinc/50/97/32/433509732.db2.gz MSUJNDPPJNTKFU-JFRXWTBNSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccccc1[C@@H](CNc1nc(C)[nH+]c(C)c1C)[NH+](C)C ZINC000301429190 433550754 /nfs/dbraw/zinc/55/07/54/433550754.db2.gz FOTHHAUWVUFRJL-MRXNPFEDSA-N 2 2 314.433 3.125 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000339389607 433553535 /nfs/dbraw/zinc/55/35/35/433553535.db2.gz HKQLRVSEEGKERY-JKSUJKDBSA-N 2 2 314.433 3.453 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000339389607 433553541 /nfs/dbraw/zinc/55/35/41/433553541.db2.gz HKQLRVSEEGKERY-JKSUJKDBSA-N 2 2 314.433 3.453 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532449 433555897 /nfs/dbraw/zinc/55/58/97/433555897.db2.gz GXNUYODJLLMXQM-RTWAWAEBSA-N 2 2 324.468 3.129 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532449 433555905 /nfs/dbraw/zinc/55/59/05/433555905.db2.gz GXNUYODJLLMXQM-RTWAWAEBSA-N 2 2 324.468 3.129 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538429 433558853 /nfs/dbraw/zinc/55/88/53/433558853.db2.gz RBZYTWRUSCTLTP-SCLBCKFNSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538429 433558861 /nfs/dbraw/zinc/55/88/61/433558861.db2.gz RBZYTWRUSCTLTP-SCLBCKFNSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351538429 433558867 /nfs/dbraw/zinc/55/88/67/433558867.db2.gz RBZYTWRUSCTLTP-SCLBCKFNSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538429 433558873 /nfs/dbraw/zinc/55/88/73/433558873.db2.gz RBZYTWRUSCTLTP-SCLBCKFNSA-N 2 2 322.880 3.321 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414365304 433572594 /nfs/dbraw/zinc/57/25/94/433572594.db2.gz OJJFSBWOWAQQOJ-VQIMIIECSA-N 2 2 324.472 3.182 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000414365304 433572605 /nfs/dbraw/zinc/57/26/05/433572605.db2.gz OJJFSBWOWAQQOJ-VQIMIIECSA-N 2 2 324.472 3.182 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2nc3ccc(F)cc3o2)CC1 ZINC000342271128 433575323 /nfs/dbraw/zinc/57/53/23/433575323.db2.gz HKFZPWLNPMZVGU-UHFFFAOYSA-N 2 2 305.397 3.272 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2nc3ccc(F)cc3o2)CC1 ZINC000342271128 433575332 /nfs/dbraw/zinc/57/53/32/433575332.db2.gz HKFZPWLNPMZVGU-UHFFFAOYSA-N 2 2 305.397 3.272 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432128 433580076 /nfs/dbraw/zinc/58/00/76/433580076.db2.gz CGVSJXUBEVFDRA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432128 433580085 /nfs/dbraw/zinc/58/00/85/433580085.db2.gz CGVSJXUBEVFDRA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339432128 433580096 /nfs/dbraw/zinc/58/00/96/433580096.db2.gz CGVSJXUBEVFDRA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339432128 433580102 /nfs/dbraw/zinc/58/01/02/433580102.db2.gz CGVSJXUBEVFDRA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc3nccn32)[nH+]1 ZINC000375827441 433582781 /nfs/dbraw/zinc/58/27/81/433582781.db2.gz ZKMZXZLMDMBUDG-MRXNPFEDSA-N 2 2 321.428 3.114 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000282383792 433588653 /nfs/dbraw/zinc/58/86/53/433588653.db2.gz XDNVBGZVCGICQN-QFBILLFUSA-N 2 2 313.445 3.226 20 0 DGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455537378 433545378 /nfs/dbraw/zinc/54/53/78/433545378.db2.gz WNQWFYVLQIVZEN-AWEZNQCLSA-N 2 2 306.454 3.249 20 0 DGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455537378 433545391 /nfs/dbraw/zinc/54/53/91/433545391.db2.gz WNQWFYVLQIVZEN-AWEZNQCLSA-N 2 2 306.454 3.249 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000375985548 433633863 /nfs/dbraw/zinc/63/38/63/433633863.db2.gz MZBJRSPBXPWZEL-YKTARERQSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000375985548 433633870 /nfs/dbraw/zinc/63/38/70/433633870.db2.gz MZBJRSPBXPWZEL-YKTARERQSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162942360 292861347 /nfs/dbraw/zinc/86/13/47/292861347.db2.gz DIKQYOZSGHGKQM-ZDUSSCGKSA-N 2 2 310.405 3.447 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351580796 433595666 /nfs/dbraw/zinc/59/56/66/433595666.db2.gz MCCNAZSGIXPYCY-PBHICJAKSA-N 2 2 322.518 3.293 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351580796 433595675 /nfs/dbraw/zinc/59/56/75/433595675.db2.gz MCCNAZSGIXPYCY-PBHICJAKSA-N 2 2 322.518 3.293 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000351590623 433598280 /nfs/dbraw/zinc/59/82/80/433598280.db2.gz XSZBIXPWTYZNLV-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000351590623 433598286 /nfs/dbraw/zinc/59/82/86/433598286.db2.gz XSZBIXPWTYZNLV-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000351590623 433598289 /nfs/dbraw/zinc/59/82/89/433598289.db2.gz XSZBIXPWTYZNLV-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351590623 433598295 /nfs/dbraw/zinc/59/82/95/433598295.db2.gz XSZBIXPWTYZNLV-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP C[C@@H]1C[NH+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000301554188 433611753 /nfs/dbraw/zinc/61/17/53/433611753.db2.gz IAEKQZQPVDHEFF-HUUCEWRRSA-N 2 2 320.481 3.075 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427107085 433656828 /nfs/dbraw/zinc/65/68/28/433656828.db2.gz INKJYQAWJUVSNC-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427107085 433656837 /nfs/dbraw/zinc/65/68/37/433656837.db2.gz INKJYQAWJUVSNC-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376094725 433662948 /nfs/dbraw/zinc/66/29/48/433662948.db2.gz LRGDOVJQUFBTIW-SFHVURJKSA-N 3 2 312.461 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376094725 433662958 /nfs/dbraw/zinc/66/29/58/433662958.db2.gz LRGDOVJQUFBTIW-SFHVURJKSA-N 3 2 312.461 3.097 20 0 DGADLP Cc1nc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c(C)c(C)[nH+]1 ZINC000301681212 433674044 /nfs/dbraw/zinc/67/40/44/433674044.db2.gz JTRWXXYLNYKBPP-NSHDSACASA-N 2 2 316.474 3.322 20 0 DGADLP Cc1nc(NC[C@H](C)[N@H+]2CCc3sccc3C2)c(C)c(C)[nH+]1 ZINC000301681212 433674057 /nfs/dbraw/zinc/67/40/57/433674057.db2.gz JTRWXXYLNYKBPP-NSHDSACASA-N 2 2 316.474 3.322 20 0 DGADLP C[NH+](C)C[C@@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)C1 ZINC000301707707 433687867 /nfs/dbraw/zinc/68/78/67/433687867.db2.gz CHGMFVLFRCBRBG-AWEZNQCLSA-N 2 2 318.509 3.460 20 0 DGADLP CC(C)SCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000366913796 293003886 /nfs/dbraw/zinc/00/38/86/293003886.db2.gz UFLXCNIYJNECDV-NVXWUHKLSA-N 2 2 307.507 3.023 20 0 DGADLP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000366913796 293003888 /nfs/dbraw/zinc/00/38/88/293003888.db2.gz UFLXCNIYJNECDV-NVXWUHKLSA-N 2 2 307.507 3.023 20 0 DGADLP C[NH+]1CCC2(CCCN(c3cc(C(F)(F)F)cc[nH+]3)C2)CC1 ZINC000367193194 293036392 /nfs/dbraw/zinc/03/63/92/293036392.db2.gz FOWKDFDYFLJCHK-UHFFFAOYSA-N 2 2 313.367 3.413 20 0 DGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367206747 293037561 /nfs/dbraw/zinc/03/75/61/293037561.db2.gz QZACYIBESNPUJA-CVEARBPZSA-N 2 2 302.397 3.275 20 0 DGADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000367402694 293067808 /nfs/dbraw/zinc/06/78/08/293067808.db2.gz SVMORWBVBOGERP-KUHUBIRLSA-N 2 2 305.381 3.484 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367438458 293072293 /nfs/dbraw/zinc/07/22/93/293072293.db2.gz NCSGLYIJHYGNRB-CYBMUJFWSA-N 2 2 312.417 3.029 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437182 293072458 /nfs/dbraw/zinc/07/24/58/293072458.db2.gz IFSJZEAYDDMATB-GOSISDBHSA-N 2 2 311.429 3.395 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1N(C)C ZINC000367439255 293072473 /nfs/dbraw/zinc/07/24/73/293072473.db2.gz SNODFJINWPKBNO-ZDUSSCGKSA-N 2 2 316.424 3.275 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498797 293128483 /nfs/dbraw/zinc/12/84/83/293128483.db2.gz KPQPCKSKAJXZDI-UXHICEINSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498797 293128485 /nfs/dbraw/zinc/12/84/85/293128485.db2.gz KPQPCKSKAJXZDI-UXHICEINSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498797 293128487 /nfs/dbraw/zinc/12/84/87/293128487.db2.gz KPQPCKSKAJXZDI-UXHICEINSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498797 293128488 /nfs/dbraw/zinc/12/84/88/293128488.db2.gz KPQPCKSKAJXZDI-UXHICEINSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccncc1 ZINC000369755937 293138422 /nfs/dbraw/zinc/13/84/22/293138422.db2.gz BYANLLNJOPJCKL-OAHLLOKOSA-N 2 2 305.491 3.094 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CSC[C@H]3C)c(C)c2)CC1 ZINC000449040774 433702777 /nfs/dbraw/zinc/70/27/77/433702777.db2.gz JVZALYFNDZIQEN-QAPCUYQASA-N 2 2 319.518 3.300 20 0 DGADLP COC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000481725377 293153139 /nfs/dbraw/zinc/15/31/39/293153139.db2.gz DPKLPDBHGUZPSD-RBUKOAKNSA-N 2 2 304.478 3.393 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000293318962 433699417 /nfs/dbraw/zinc/69/94/17/433699417.db2.gz WAADRGZRYUPSDX-NZSAHSFTSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000293318962 433699425 /nfs/dbraw/zinc/69/94/25/433699425.db2.gz WAADRGZRYUPSDX-NZSAHSFTSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000293318962 433699429 /nfs/dbraw/zinc/69/94/29/433699429.db2.gz WAADRGZRYUPSDX-NZSAHSFTSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000293318962 433699435 /nfs/dbraw/zinc/69/94/35/433699435.db2.gz WAADRGZRYUPSDX-NZSAHSFTSA-N 2 2 302.462 3.179 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371258164 293206134 /nfs/dbraw/zinc/20/61/34/293206134.db2.gz LMUCHIDMBONIHR-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371258164 293206136 /nfs/dbraw/zinc/20/61/36/293206136.db2.gz LMUCHIDMBONIHR-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000372055356 293226706 /nfs/dbraw/zinc/22/67/06/293226706.db2.gz BJFUSRCSHRNOJY-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000372055356 293226709 /nfs/dbraw/zinc/22/67/09/293226709.db2.gz BJFUSRCSHRNOJY-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000372298939 293231625 /nfs/dbraw/zinc/23/16/25/293231625.db2.gz UHACPYDTWWQMPH-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000372298939 293231627 /nfs/dbraw/zinc/23/16/27/293231627.db2.gz UHACPYDTWWQMPH-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000356835056 433721954 /nfs/dbraw/zinc/72/19/54/433721954.db2.gz GMSIKGXBWYTFTR-UHFFFAOYSA-N 2 2 321.412 3.082 20 0 DGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000427590957 433730149 /nfs/dbraw/zinc/73/01/49/433730149.db2.gz GBGDWLNJRMVJLG-GGPKGHCWSA-N 2 2 318.505 3.343 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356875540 433743519 /nfs/dbraw/zinc/74/35/19/433743519.db2.gz QZXFYEDIUCFCKP-LZLYRXPVSA-N 2 2 317.477 3.012 20 0 DGADLP COC1([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000421821123 433744782 /nfs/dbraw/zinc/74/47/82/433744782.db2.gz PNNGTFGWTFWOMF-HNNXBMFYSA-N 2 2 301.434 3.204 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccncc1Cl ZINC000421821633 433745627 /nfs/dbraw/zinc/74/56/27/433745627.db2.gz SKPJCTIYQOTAAQ-GFCCVEGCSA-N 2 2 304.825 3.161 20 0 DGADLP Clc1ccc(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000427880893 433749454 /nfs/dbraw/zinc/74/94/54/433749454.db2.gz XNEQFKPLGUIPIO-SIWZUTFBSA-N 2 2 301.821 3.387 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)c1 ZINC000449616431 433754822 /nfs/dbraw/zinc/75/48/22/433754822.db2.gz CWLQCNZNKBSKJZ-HJWJTTGWSA-N 2 2 300.446 3.156 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)c1 ZINC000449616431 433754832 /nfs/dbraw/zinc/75/48/32/433754832.db2.gz CWLQCNZNKBSKJZ-HJWJTTGWSA-N 2 2 300.446 3.156 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351862331 433760154 /nfs/dbraw/zinc/76/01/54/433760154.db2.gz OJTLBBGUWZOTHU-SFHVURJKSA-N 2 2 301.478 3.073 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351862331 433760156 /nfs/dbraw/zinc/76/01/56/433760156.db2.gz OJTLBBGUWZOTHU-SFHVURJKSA-N 2 2 301.478 3.073 20 0 DGADLP CC(C)c1nc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889220 433772517 /nfs/dbraw/zinc/77/25/17/433772517.db2.gz RLCVNMOQJPRUHS-FUHWJXTLSA-N 2 2 324.472 3.923 20 0 DGADLP CC(C)c1nc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889220 433772524 /nfs/dbraw/zinc/77/25/24/433772524.db2.gz RLCVNMOQJPRUHS-FUHWJXTLSA-N 2 2 324.472 3.923 20 0 DGADLP c1ccc2[nH+]c(NCC3([NH+]4CCSCC4)CCCC3)[nH]c2c1 ZINC000301880546 433773684 /nfs/dbraw/zinc/77/36/84/433773684.db2.gz LTKLMWBOAATURR-UHFFFAOYSA-N 2 2 316.474 3.336 20 0 DGADLP Cc1nocc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000293559541 433783620 /nfs/dbraw/zinc/78/36/20/433783620.db2.gz MAONNOGOIAORID-GJZGRUSLSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)no1 ZINC000283877731 433791109 /nfs/dbraw/zinc/79/11/09/433791109.db2.gz CBZKEZLHILRHEM-FUHWJXTLSA-N 2 2 313.445 3.198 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877731 433791117 /nfs/dbraw/zinc/79/11/17/433791117.db2.gz CBZKEZLHILRHEM-FUHWJXTLSA-N 2 2 313.445 3.198 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430549273 433794208 /nfs/dbraw/zinc/79/42/08/433794208.db2.gz NGHOVUKRAAGHBI-MELADBBJSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430549273 433794217 /nfs/dbraw/zinc/79/42/17/433794217.db2.gz NGHOVUKRAAGHBI-MELADBBJSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430971981 433800552 /nfs/dbraw/zinc/80/05/52/433800552.db2.gz QMUOBXFKBYEKNQ-ZOBUZTSGSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430971981 433800563 /nfs/dbraw/zinc/80/05/63/433800563.db2.gz QMUOBXFKBYEKNQ-ZOBUZTSGSA-N 2 2 317.477 3.115 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000376727727 433804595 /nfs/dbraw/zinc/80/45/95/433804595.db2.gz GCLKXXGZWUDMCP-UHFFFAOYSA-N 2 2 304.463 3.263 20 0 DGADLP COc1cc(C)[nH+]c(CN2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000339825937 433806637 /nfs/dbraw/zinc/80/66/37/433806637.db2.gz ZSLKXWUIHYDNFI-UHFFFAOYSA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293639264 433811622 /nfs/dbraw/zinc/81/16/22/433811622.db2.gz MALMJSFGFSAOBV-GOSISDBHSA-N 2 2 300.446 3.214 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293639264 433811630 /nfs/dbraw/zinc/81/16/30/433811630.db2.gz MALMJSFGFSAOBV-GOSISDBHSA-N 2 2 300.446 3.214 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000414764135 433818473 /nfs/dbraw/zinc/81/84/73/433818473.db2.gz OAHDZIBFYWGOKC-KXBFYZLASA-N 2 2 310.441 3.450 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000414764135 433818485 /nfs/dbraw/zinc/81/84/85/433818485.db2.gz OAHDZIBFYWGOKC-KXBFYZLASA-N 2 2 310.441 3.450 20 0 DGADLP COc1ccc2oc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc2c1 ZINC000414840077 433873748 /nfs/dbraw/zinc/87/37/48/433873748.db2.gz MFFCFKQEYMLEEV-QGZVFWFLSA-N 2 2 302.418 3.439 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1SC ZINC000414838830 433873967 /nfs/dbraw/zinc/87/39/67/433873967.db2.gz VSYKSTWCEVXIGY-OAHLLOKOSA-N 2 2 302.443 3.207 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@@H+]1Cc1ccccc1 ZINC000362710437 433829549 /nfs/dbraw/zinc/82/95/49/433829549.db2.gz JOLHZGHOUQPAPI-GUDVDZBRSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@H+]1Cc1ccccc1 ZINC000362710437 433829559 /nfs/dbraw/zinc/82/95/59/433829559.db2.gz JOLHZGHOUQPAPI-GUDVDZBRSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713241 433830466 /nfs/dbraw/zinc/83/04/66/433830466.db2.gz ZIJJUFPRFUONHQ-APWZRJJASA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713241 433830472 /nfs/dbraw/zinc/83/04/72/433830472.db2.gz ZIJJUFPRFUONHQ-APWZRJJASA-N 2 2 316.489 3.444 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000414840565 433877583 /nfs/dbraw/zinc/87/75/83/433877583.db2.gz XGOMBAVBWWXZBH-CQSZACIVSA-N 2 2 310.319 3.217 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000414790768 433839592 /nfs/dbraw/zinc/83/95/92/433839592.db2.gz GUEAJQDATLSKBU-CQSZACIVSA-N 2 2 314.857 3.210 20 0 DGADLP Cc1ccc2[nH+]c(CNc3ccc(OCC[NH+](C)C)cc3)cn2c1 ZINC000284154964 433847326 /nfs/dbraw/zinc/84/73/26/433847326.db2.gz ZPMPZYOWJVZZIV-UHFFFAOYSA-N 2 2 324.428 3.195 20 0 DGADLP CCCn1c(C[NH2+]CC2([NH3+])CCCCC2)nc2ccccc21 ZINC000414844648 433877872 /nfs/dbraw/zinc/87/78/72/433877872.db2.gz QAMOGROJKBWROZ-UHFFFAOYSA-N 2 2 300.450 3.198 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(OC)ccc1Br ZINC000414807052 433849847 /nfs/dbraw/zinc/84/98/47/433849847.db2.gz CDLXYDPMOQDRLI-LBPRGKRZSA-N 2 2 315.255 3.065 20 0 DGADLP c1cc2c(o1)CCC[NH+](CCC[N@@H+]1CCCc3occc3C1)C2 ZINC000344239792 433856672 /nfs/dbraw/zinc/85/66/72/433856672.db2.gz RROIFDHDDDBIQK-UHFFFAOYSA-N 2 2 314.429 3.459 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414815025 433857528 /nfs/dbraw/zinc/85/75/28/433857528.db2.gz WMOYSCYIWUOZNO-UHFFFAOYSA-N 3 2 305.510 3.252 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414815025 433857536 /nfs/dbraw/zinc/85/75/36/433857536.db2.gz WMOYSCYIWUOZNO-UHFFFAOYSA-N 3 2 305.510 3.252 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357101843 433866837 /nfs/dbraw/zinc/86/68/37/433866837.db2.gz FEALVQAGFJJIST-SJORKVTESA-N 2 2 324.472 3.037 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357101843 433866851 /nfs/dbraw/zinc/86/68/51/433866851.db2.gz FEALVQAGFJJIST-SJORKVTESA-N 2 2 324.472 3.037 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000435421194 433872614 /nfs/dbraw/zinc/87/26/14/433872614.db2.gz GRVRTBWYSJQGRB-ZDUSSCGKSA-N 2 2 307.488 3.125 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000435421194 433872623 /nfs/dbraw/zinc/87/26/23/433872623.db2.gz GRVRTBWYSJQGRB-ZDUSSCGKSA-N 2 2 307.488 3.125 20 0 DGADLP COc1cccc(Cl)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414874633 433895506 /nfs/dbraw/zinc/89/55/06/433895506.db2.gz IKAQEJYUVCJPHA-UHFFFAOYSA-N 2 2 319.836 3.013 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000293877145 433905504 /nfs/dbraw/zinc/90/55/04/433905504.db2.gz YMTRRRUXDTYVEF-RYUDHWBXSA-N 2 2 314.857 3.206 20 0 DGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091672 433909272 /nfs/dbraw/zinc/90/92/72/433909272.db2.gz GWDNRICETFKHQE-KRWDZBQOSA-N 2 2 322.880 3.007 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091672 433909280 /nfs/dbraw/zinc/90/92/80/433909280.db2.gz GWDNRICETFKHQE-KRWDZBQOSA-N 2 2 322.880 3.007 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1Cl)CC1CC1)C1CC1 ZINC000352091672 433909285 /nfs/dbraw/zinc/90/92/85/433909285.db2.gz GWDNRICETFKHQE-KRWDZBQOSA-N 2 2 322.880 3.007 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000414919901 433917028 /nfs/dbraw/zinc/91/70/28/433917028.db2.gz WAZSAFBBKUIOIA-KRWDZBQOSA-N 3 2 321.896 3.036 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000352113380 433921783 /nfs/dbraw/zinc/92/17/83/433921783.db2.gz HXZNTTRHCAOWLB-INIZCTEOSA-N 2 2 321.424 3.358 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cs2)cc1 ZINC000414928402 433921827 /nfs/dbraw/zinc/92/18/27/433921827.db2.gz BBFMNUUFLMSTIZ-ZFWWWQNUSA-N 2 2 301.459 3.349 20 0 DGADLP COc1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000436275898 433926238 /nfs/dbraw/zinc/92/62/38/433926238.db2.gz PUXQZKOMLGFAGG-OAHLLOKOSA-N 2 2 317.458 3.078 20 0 DGADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccccc2)cc1F ZINC000414946981 433929690 /nfs/dbraw/zinc/92/96/90/433929690.db2.gz KEDIVAXCDUGBDP-CRAIPNDOSA-N 2 2 302.368 3.200 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414942176 433929761 /nfs/dbraw/zinc/92/97/61/433929761.db2.gz BJQSDROAIBZNCF-HNAYVOBHSA-N 2 2 310.441 3.103 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000414943232 433929980 /nfs/dbraw/zinc/92/99/80/433929980.db2.gz CSAXOQRDJAVMSR-IEBWSBKVSA-N 2 2 312.844 3.284 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414945823 433930354 /nfs/dbraw/zinc/93/03/54/433930354.db2.gz SEYMVEWCPSTCHM-UHFFFAOYSA-N 2 2 303.233 3.234 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]Cc1cccc2cccnc21 ZINC000414942844 433932939 /nfs/dbraw/zinc/93/29/39/433932939.db2.gz CGTLZQHFCOUOFH-IBGZPJMESA-N 2 2 303.409 3.211 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422639633 433934120 /nfs/dbraw/zinc/93/41/20/433934120.db2.gz TZNWFDCWLQHTDI-IHRRRGAJSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422639633 433934132 /nfs/dbraw/zinc/93/41/32/433934132.db2.gz TZNWFDCWLQHTDI-IHRRRGAJSA-N 2 2 318.440 3.001 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCSC1 ZINC000436298409 433934534 /nfs/dbraw/zinc/93/45/34/433934534.db2.gz ZLMGYGRPVAXRSD-QRVBRYPASA-N 2 2 318.530 3.425 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccn1 ZINC000436050476 433882348 /nfs/dbraw/zinc/88/23/48/433882348.db2.gz IQGKAFCLTYEELZ-LSDHHAIUSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccn1 ZINC000436050476 433882357 /nfs/dbraw/zinc/88/23/57/433882357.db2.gz IQGKAFCLTYEELZ-LSDHHAIUSA-N 2 2 316.474 3.019 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000377832547 293718217 /nfs/dbraw/zinc/71/82/17/293718217.db2.gz SSJQNMAGBROVIQ-AWEZNQCLSA-N 2 2 303.381 3.006 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414862303 433892915 /nfs/dbraw/zinc/89/29/15/433892915.db2.gz XEIJFCGMLWSCCE-VXGBXAGGSA-N 2 2 307.488 3.349 20 0 DGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377649636 433942600 /nfs/dbraw/zinc/94/26/00/433942600.db2.gz IDRWIHNJQFULBH-AZUAARDMSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377649636 433942606 /nfs/dbraw/zinc/94/26/06/433942606.db2.gz IDRWIHNJQFULBH-AZUAARDMSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)sc2C1 ZINC000345846110 433952882 /nfs/dbraw/zinc/95/28/82/433952882.db2.gz IUBOEIHKZIAWHN-OLZOCXBDSA-N 2 2 316.474 3.132 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)[nH+]c1 ZINC000414979693 433954725 /nfs/dbraw/zinc/95/47/25/433954725.db2.gz OHPCCNLSVBFGIJ-UHFFFAOYSA-N 2 2 322.456 3.198 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000340173861 433957197 /nfs/dbraw/zinc/95/71/97/433957197.db2.gz PKUVVENHXAFSBC-MSOLQXFVSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccn1 ZINC000340173861 433957206 /nfs/dbraw/zinc/95/72/06/433957206.db2.gz PKUVVENHXAFSBC-MSOLQXFVSA-N 2 2 311.429 3.015 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422733053 433961387 /nfs/dbraw/zinc/96/13/87/433961387.db2.gz AQKXRLINKDKLIG-YDZRNGNQSA-N 3 2 307.526 3.151 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422733053 433961400 /nfs/dbraw/zinc/96/14/00/433961400.db2.gz AQKXRLINKDKLIG-YDZRNGNQSA-N 3 2 307.526 3.151 20 0 DGADLP Cc1[nH+]ccc(NCc2ccc(N3CCCC3)[nH+]c2)c1Cl ZINC000357337096 433962378 /nfs/dbraw/zinc/96/23/78/433962378.db2.gz NTCTUFMPZODHEI-UHFFFAOYSA-N 2 2 302.809 3.073 20 0 DGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422743573 433967046 /nfs/dbraw/zinc/96/70/46/433967046.db2.gz RTYBENGYLFAZCP-MGPQQGTHSA-N 2 2 307.507 3.451 20 0 DGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422743569 433967345 /nfs/dbraw/zinc/96/73/45/433967345.db2.gz RTYBENGYLFAZCP-HZSPNIEDSA-N 2 2 307.507 3.451 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415073574 433972854 /nfs/dbraw/zinc/97/28/54/433972854.db2.gz ZNMPSOGMEOCBJM-ATZDWAIDSA-N 3 2 307.526 3.137 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422760578 433978309 /nfs/dbraw/zinc/97/83/09/433978309.db2.gz QICCLNGGILJMKS-YLJYHZDGSA-N 2 2 324.468 3.175 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)cc1SC ZINC000415138513 433978637 /nfs/dbraw/zinc/97/86/37/433978637.db2.gz VOVHZTRYYDSZMK-UHFFFAOYSA-N 2 2 317.296 3.212 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)cc1SC ZINC000415138513 433978649 /nfs/dbraw/zinc/97/86/49/433978649.db2.gz VOVHZTRYYDSZMK-UHFFFAOYSA-N 2 2 317.296 3.212 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCc2cccs2)[C@H]2CCC[NH2+]2)cc1 ZINC000422753940 433979939 /nfs/dbraw/zinc/97/99/39/433979939.db2.gz JBGXWWWSUXCDCL-QZTJIDSGSA-N 2 2 316.470 3.382 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422765638 433982705 /nfs/dbraw/zinc/98/27/05/433982705.db2.gz QNKBWVFIVFGQHU-MTHXSQLBSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422765638 433982716 /nfs/dbraw/zinc/98/27/16/433982716.db2.gz QNKBWVFIVFGQHU-MTHXSQLBSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422776599 433991571 /nfs/dbraw/zinc/99/15/71/433991571.db2.gz DCYBKFLHEXLKOW-FXAWDEMLSA-N 3 2 315.505 3.293 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414954389 433936888 /nfs/dbraw/zinc/93/68/88/433936888.db2.gz LHPKTOFFUUMVKC-IBGZPJMESA-N 2 2 314.473 3.202 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303392549 433938270 /nfs/dbraw/zinc/93/82/70/433938270.db2.gz AOEVGMMTYBYTSF-IEBWSBKVSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303392549 433938278 /nfs/dbraw/zinc/93/82/78/433938278.db2.gz AOEVGMMTYBYTSF-IEBWSBKVSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)cc1 ZINC000422706839 433938430 /nfs/dbraw/zinc/93/84/30/433938430.db2.gz GDTPJKANSUOCGX-OALUTQOASA-N 2 2 323.440 3.217 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[nH+]c1 ZINC000422706388 433941149 /nfs/dbraw/zinc/94/11/49/433941149.db2.gz UHURMRXXYOROFU-KZNAEPCWSA-N 3 2 316.493 3.174 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)[nH]c2c1 ZINC000422705099 433941459 /nfs/dbraw/zinc/94/14/59/433941459.db2.gz QTMQFHBXGUQEPR-XHSDSOJGSA-N 3 2 312.461 3.006 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000352260923 434009604 /nfs/dbraw/zinc/00/96/04/434009604.db2.gz GMUWPUMFHBWRLG-KGZWWPETSA-N 2 2 313.445 3.359 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc3occc3c2)C[C@@H](C)O1 ZINC000352256585 434011928 /nfs/dbraw/zinc/01/19/28/434011928.db2.gz KCHSUENJZOWDCD-HUUCEWRRSA-N 2 2 302.418 3.022 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833885 434012251 /nfs/dbraw/zinc/01/22/51/434012251.db2.gz HLUCULHMYUAUQY-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833885 434012260 /nfs/dbraw/zinc/01/22/60/434012260.db2.gz HLUCULHMYUAUQY-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833885 434012273 /nfs/dbraw/zinc/01/22/73/434012273.db2.gz HLUCULHMYUAUQY-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833885 434012282 /nfs/dbraw/zinc/01/22/82/434012282.db2.gz HLUCULHMYUAUQY-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422803862 434015231 /nfs/dbraw/zinc/01/52/31/434015231.db2.gz JUAVYWJLPVAKPQ-BRSBDYLESA-N 2 2 321.534 3.251 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422815943 434023583 /nfs/dbraw/zinc/02/35/83/434023583.db2.gz YRYDZVJSEKCADY-CABZTGNLSA-N 2 2 304.768 3.029 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000352285194 434028572 /nfs/dbraw/zinc/02/85/72/434028572.db2.gz FAXRTAUUSMZSIJ-BRWVUGGUSA-N 2 2 312.461 3.172 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)[N@H+](C)Cc1ccccc1 ZINC000422823603 434029578 /nfs/dbraw/zinc/02/95/78/434029578.db2.gz LWLDYSXYWPTQJN-HZPDHXFCSA-N 3 2 312.461 3.055 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)[N@@H+](C)Cc1ccccc1 ZINC000422823603 434029587 /nfs/dbraw/zinc/02/95/87/434029587.db2.gz LWLDYSXYWPTQJN-HZPDHXFCSA-N 3 2 312.461 3.055 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340282622 434034282 /nfs/dbraw/zinc/03/42/82/434034282.db2.gz BBCCIYZKXILFHJ-FGTMMUONSA-N 2 2 304.482 3.029 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340282622 434034291 /nfs/dbraw/zinc/03/42/91/434034291.db2.gz BBCCIYZKXILFHJ-FGTMMUONSA-N 2 2 304.482 3.029 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422843831 434047283 /nfs/dbraw/zinc/04/72/83/434047283.db2.gz JTJTYLNTEQSDEJ-GRDNDAEWSA-N 2 2 309.885 3.192 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422776602 433995481 /nfs/dbraw/zinc/99/54/81/433995481.db2.gz DCYBKFLHEXLKOW-YLJYHZDGSA-N 3 2 315.505 3.293 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422785729 433997675 /nfs/dbraw/zinc/99/76/75/433997675.db2.gz JWVITYBWWFVOQM-CYBMUJFWSA-N 2 2 322.412 3.355 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)[nH+]c1 ZINC000422786782 433997899 /nfs/dbraw/zinc/99/78/99/433997899.db2.gz QTSPXAQAXNLDIK-RTBURBONSA-N 3 2 322.456 3.093 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)nc1 ZINC000422786782 433997905 /nfs/dbraw/zinc/99/79/05/433997905.db2.gz QTSPXAQAXNLDIK-RTBURBONSA-N 2 2 322.456 3.093 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285569083 433999692 /nfs/dbraw/zinc/99/96/92/433999692.db2.gz HVFCUAHNIZIOGB-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285569083 433999702 /nfs/dbraw/zinc/99/97/02/433999702.db2.gz HVFCUAHNIZIOGB-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[NH2+]1 ZINC000414951667 293892119 /nfs/dbraw/zinc/89/21/19/293892119.db2.gz PXVPAXUKIVCETG-KBPBESRZSA-N 2 2 307.869 3.170 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422859981 434063285 /nfs/dbraw/zinc/06/32/85/434063285.db2.gz KUQDJJNNILQYMN-UTKZUKDTSA-N 2 2 324.468 3.491 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867930 434068044 /nfs/dbraw/zinc/06/80/44/434068044.db2.gz UEARNZUMRKQZPA-SUMWQHHRSA-N 2 2 318.490 3.289 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000422881903 434077143 /nfs/dbraw/zinc/07/71/43/434077143.db2.gz RDYMYRVNUDKVFU-KHYOSLBOSA-N 2 2 322.456 3.378 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000422886407 434080398 /nfs/dbraw/zinc/08/03/98/434080398.db2.gz WROQBDGRXPFATB-IRXDYDNUSA-N 2 2 303.450 3.045 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882937 434082146 /nfs/dbraw/zinc/08/21/46/434082146.db2.gz PPTOKNPDUBRFJK-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882937 434082150 /nfs/dbraw/zinc/08/21/50/434082150.db2.gz PPTOKNPDUBRFJK-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCC3)CCO1 ZINC000340377619 434091189 /nfs/dbraw/zinc/09/11/89/434091189.db2.gz LXZZSHNYNXASHD-PVAVHDDUSA-N 2 2 303.450 3.343 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000422904978 434094822 /nfs/dbraw/zinc/09/48/22/434094822.db2.gz REOLKJYBSPEHHY-AXUOBQJMSA-N 2 2 318.461 3.036 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc21 ZINC000422902331 434096263 /nfs/dbraw/zinc/09/62/63/434096263.db2.gz UGTNARNYICSABH-RTBURBONSA-N 2 2 322.456 3.306 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000340307359 434048207 /nfs/dbraw/zinc/04/82/07/434048207.db2.gz WHWOSAUDASFVNZ-UCLAIMLFSA-N 2 2 312.461 3.074 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000340307359 434048210 /nfs/dbraw/zinc/04/82/10/434048210.db2.gz WHWOSAUDASFVNZ-UCLAIMLFSA-N 2 2 312.461 3.074 20 0 DGADLP CC(C)n1cc[nH+]c1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000285717269 434049940 /nfs/dbraw/zinc/04/99/40/434049940.db2.gz PXCRSSLGSWQQFU-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP CC(C)n1cc[nH+]c1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285717269 434049948 /nfs/dbraw/zinc/04/99/48/434049948.db2.gz PXCRSSLGSWQQFU-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340310058 434052858 /nfs/dbraw/zinc/05/28/58/434052858.db2.gz JCICQIZVRGNICV-MJGOQNOKSA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340310058 434052867 /nfs/dbraw/zinc/05/28/67/434052867.db2.gz JCICQIZVRGNICV-MJGOQNOKSA-N 2 2 324.472 3.073 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000294241407 434054417 /nfs/dbraw/zinc/05/44/17/434054417.db2.gz MXLWAJCKOYGFLW-AWEZNQCLSA-N 2 2 309.413 3.271 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422854845 434055392 /nfs/dbraw/zinc/05/53/92/434055392.db2.gz DFAOBOYPLUGKHH-DYVFJYSZSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852775 434055682 /nfs/dbraw/zinc/05/56/82/434055682.db2.gz BHHAEZAHFQKGBN-UWVAXJGDSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852775 434055692 /nfs/dbraw/zinc/05/56/92/434055692.db2.gz BHHAEZAHFQKGBN-UWVAXJGDSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422911781 434102516 /nfs/dbraw/zinc/10/25/16/434102516.db2.gz LMJMGKOJPICBMH-OLZOCXBDSA-N 2 2 322.403 3.094 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000340401535 434105641 /nfs/dbraw/zinc/10/56/41/434105641.db2.gz ULYYGABPPDBECJ-CRAIPNDOSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353396493 434108370 /nfs/dbraw/zinc/10/83/70/434108370.db2.gz UAHYMKHWDAWADK-OTBHMBEGSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000353396493 434108382 /nfs/dbraw/zinc/10/83/82/434108382.db2.gz UAHYMKHWDAWADK-OTBHMBEGSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000422925335 434112449 /nfs/dbraw/zinc/11/24/49/434112449.db2.gz BKTRTWIOQAZPEI-WDMOLILDSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422926734 434113831 /nfs/dbraw/zinc/11/38/31/434113831.db2.gz DTLQSGZBAZANHR-DOMZBBRYSA-N 2 2 324.852 3.122 20 0 DGADLP COc1ccncc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340409995 434114167 /nfs/dbraw/zinc/11/41/67/434114167.db2.gz XJASGJIYEXAQBS-ZWKOTPCHSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340409995 434114173 /nfs/dbraw/zinc/11/41/73/434114173.db2.gz XJASGJIYEXAQBS-ZWKOTPCHSA-N 2 2 311.429 3.015 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000422925334 434114282 /nfs/dbraw/zinc/11/42/82/434114282.db2.gz BKTRTWIOQAZPEI-UHIISALHSA-N 2 2 302.340 3.376 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000497128926 294005151 /nfs/dbraw/zinc/00/51/51/294005151.db2.gz MLMPVTKDTORPFE-OBQMCUGOSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000497128926 294005155 /nfs/dbraw/zinc/00/51/55/294005155.db2.gz MLMPVTKDTORPFE-OBQMCUGOSA-N 2 2 322.880 3.488 20 0 DGADLP CC(C)(C)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000500466348 294113704 /nfs/dbraw/zinc/11/37/04/294113704.db2.gz XXOSLDQEQRIRBS-UHFFFAOYSA-N 2 2 323.912 3.488 20 0 DGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502920812 294180143 /nfs/dbraw/zinc/18/01/43/294180143.db2.gz RXASBSDGDJHVBW-INIZCTEOSA-N 2 2 314.433 3.012 20 0 DGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502920812 294180145 /nfs/dbraw/zinc/18/01/45/294180145.db2.gz RXASBSDGDJHVBW-INIZCTEOSA-N 2 2 314.433 3.012 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506562737 294272675 /nfs/dbraw/zinc/27/26/75/294272675.db2.gz NRQQHRLFMASNLY-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506562737 294272677 /nfs/dbraw/zinc/27/26/77/294272677.db2.gz NRQQHRLFMASNLY-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506562737 294272680 /nfs/dbraw/zinc/27/26/80/294272680.db2.gz NRQQHRLFMASNLY-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506562737 294272681 /nfs/dbraw/zinc/27/26/81/294272681.db2.gz NRQQHRLFMASNLY-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506562736 294272753 /nfs/dbraw/zinc/27/27/53/294272753.db2.gz NRQQHRLFMASNLY-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506562736 294272755 /nfs/dbraw/zinc/27/27/55/294272755.db2.gz NRQQHRLFMASNLY-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506562736 294272757 /nfs/dbraw/zinc/27/27/57/294272757.db2.gz NRQQHRLFMASNLY-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506562736 294272760 /nfs/dbraw/zinc/27/27/60/294272760.db2.gz NRQQHRLFMASNLY-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000507484702 294300557 /nfs/dbraw/zinc/30/05/57/294300557.db2.gz JYRRLXPUNRBEQO-MNEFBYGVSA-N 2 2 304.478 3.256 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857791 294334281 /nfs/dbraw/zinc/33/42/81/294334281.db2.gz FWMHKUPGPLVUEB-INIZCTEOSA-N 2 2 319.493 3.423 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857791 294334284 /nfs/dbraw/zinc/33/42/84/294334284.db2.gz FWMHKUPGPLVUEB-INIZCTEOSA-N 2 2 319.493 3.423 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857791 294334286 /nfs/dbraw/zinc/33/42/86/294334286.db2.gz FWMHKUPGPLVUEB-INIZCTEOSA-N 2 2 319.493 3.423 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508857791 294334288 /nfs/dbraw/zinc/33/42/88/294334288.db2.gz FWMHKUPGPLVUEB-INIZCTEOSA-N 2 2 319.493 3.423 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH+]3CCCCCC3)CC2)cc1 ZINC000509314068 294346846 /nfs/dbraw/zinc/34/68/46/294346846.db2.gz MNOIKWDLZMPSGF-UHFFFAOYSA-N 2 2 301.478 3.075 20 0 DGADLP C[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000509680958 294361690 /nfs/dbraw/zinc/36/16/90/294361690.db2.gz CJQXYGYLPHGLJG-MOPGFXCFSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000509680958 294361691 /nfs/dbraw/zinc/36/16/91/294361691.db2.gz CJQXYGYLPHGLJG-MOPGFXCFSA-N 2 2 315.505 3.319 20 0 DGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000357691185 434132311 /nfs/dbraw/zinc/13/23/11/434132311.db2.gz IPEJIAWPMZVSMD-CVEARBPZSA-N 2 2 320.481 3.123 20 0 DGADLP Cc1ccc(Br)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000313750804 434134257 /nfs/dbraw/zinc/13/42/57/434134257.db2.gz LJYMYMBDSQPDHL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000313750804 434134269 /nfs/dbraw/zinc/13/42/69/434134269.db2.gz LJYMYMBDSQPDHL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000313750804 434134277 /nfs/dbraw/zinc/13/42/77/434134277.db2.gz LJYMYMBDSQPDHL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000313750804 434134287 /nfs/dbraw/zinc/13/42/87/434134287.db2.gz LJYMYMBDSQPDHL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422966044 434142025 /nfs/dbraw/zinc/14/20/25/434142025.db2.gz MQMJCZTUCAFSPH-IPMKNSEASA-N 3 2 324.472 3.273 20 0 DGADLP Oc1cccc2c1CCC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000340460725 434144477 /nfs/dbraw/zinc/14/44/77/434144477.db2.gz HWUFMYOSOIATJD-QGZVFWFLSA-N 2 2 307.397 3.250 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1c[nH+]ccc1N ZINC000422964229 434145750 /nfs/dbraw/zinc/14/57/50/434145750.db2.gz KUTDJHCASLQECX-ZDUSSCGKSA-N 2 2 312.417 3.061 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363778788 434146110 /nfs/dbraw/zinc/14/61/10/434146110.db2.gz CELFPVQRSAWFRP-AEGPPILISA-N 2 2 323.506 3.089 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363778788 434146119 /nfs/dbraw/zinc/14/61/19/434146119.db2.gz CELFPVQRSAWFRP-AEGPPILISA-N 2 2 323.506 3.089 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000340475105 434152048 /nfs/dbraw/zinc/15/20/48/434152048.db2.gz VROWNADDBSOLDF-UHFFFAOYSA-N 3 2 315.505 3.115 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000340475105 434152054 /nfs/dbraw/zinc/15/20/54/434152054.db2.gz VROWNADDBSOLDF-UHFFFAOYSA-N 3 2 315.505 3.115 20 0 DGADLP COc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423012119 434168709 /nfs/dbraw/zinc/16/87/09/434168709.db2.gz CLZJBFUBAVVGGL-IEBWSBKVSA-N 2 2 314.404 3.417 20 0 DGADLP CCc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)cc[nH+]1 ZINC000450430111 434175909 /nfs/dbraw/zinc/17/59/09/434175909.db2.gz PFXWITVAHJAQNB-UHFFFAOYSA-N 2 2 304.397 3.392 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000340532037 434187488 /nfs/dbraw/zinc/18/74/88/434187488.db2.gz JFSTWYVCMIAJCQ-CABCVRRESA-N 2 2 305.466 3.010 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000316448825 434188070 /nfs/dbraw/zinc/18/80/70/434188070.db2.gz GBUUCOMBIKZXNO-MKXGPGLRSA-N 3 2 309.542 3.253 20 0 DGADLP COc1ccccc1[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC(C)C ZINC000423046363 434188983 /nfs/dbraw/zinc/18/89/83/434188983.db2.gz DJXFCQXYZZGRMX-IEZWGBDMSA-N 2 2 320.477 3.282 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000340532038 434190024 /nfs/dbraw/zinc/19/00/24/434190024.db2.gz JFSTWYVCMIAJCQ-GJZGRUSLSA-N 2 2 305.466 3.010 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423054657 434192649 /nfs/dbraw/zinc/19/26/49/434192649.db2.gz BYWYAIUEVNBOLD-UMVBOHGHSA-N 2 2 304.459 3.319 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1c2ccccc2CCC[C@@H]1C ZINC000423056277 434194502 /nfs/dbraw/zinc/19/45/02/434194502.db2.gz XXFJNIQBXQXBOE-BUIAKZPTSA-N 2 2 302.462 3.057 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295096024 434195163 /nfs/dbraw/zinc/19/51/63/434195163.db2.gz SAKFBYCUZQKSAI-AWEZNQCLSA-N 2 2 324.896 3.444 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CCC(C[NH3+])CC1)[NH+](C)C ZINC000423059272 434196840 /nfs/dbraw/zinc/19/68/40/434196840.db2.gz LLAAOAMLSZRMRV-JIZBTBOESA-N 3 2 303.494 3.093 20 0 DGADLP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000295099920 434198526 /nfs/dbraw/zinc/19/85/26/434198526.db2.gz VVUQXRZPQQTMNA-MRXNPFEDSA-N 2 2 301.478 3.462 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423072162 434201947 /nfs/dbraw/zinc/20/19/47/434201947.db2.gz PFPOQFJFMAFQAS-YOEHRIQHSA-N 2 2 324.424 3.490 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000423068765 434201970 /nfs/dbraw/zinc/20/19/70/434201970.db2.gz CNQZNEGMSPLFPF-XGXHKWSGSA-N 2 2 302.462 3.069 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000353534256 434205295 /nfs/dbraw/zinc/20/52/95/434205295.db2.gz HVSSXXBIHMGLIH-DOTOQJQBSA-N 2 2 320.477 3.308 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000353534259 434206189 /nfs/dbraw/zinc/20/61/89/434206189.db2.gz HVSSXXBIHMGLIH-WBVHZDCISA-N 2 2 320.477 3.308 20 0 DGADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000423077367 434208813 /nfs/dbraw/zinc/20/88/13/434208813.db2.gz LVTZIRDULVESJC-IYWMVGAKSA-N 2 2 314.473 3.069 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423090501 434211541 /nfs/dbraw/zinc/21/15/41/434211541.db2.gz XVCPNMNZNUPYQU-MLHJIOFPSA-N 3 2 307.526 3.007 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423090501 434211548 /nfs/dbraw/zinc/21/15/48/434211548.db2.gz XVCPNMNZNUPYQU-MLHJIOFPSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000423091724 434211615 /nfs/dbraw/zinc/21/16/15/434211615.db2.gz YLNVWYCHAVYEQF-HNJRMYHASA-N 2 2 305.369 3.096 20 0 DGADLP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092453 434213631 /nfs/dbraw/zinc/21/36/31/434213631.db2.gz BXYHTGPZTWDCAY-YSTOQKLRSA-N 3 2 319.537 3.294 20 0 DGADLP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092453 434213641 /nfs/dbraw/zinc/21/36/41/434213641.db2.gz BXYHTGPZTWDCAY-YSTOQKLRSA-N 3 2 319.537 3.294 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC1 ZINC000437089962 434214156 /nfs/dbraw/zinc/21/41/56/434214156.db2.gz WEKNBMBAUMHZRH-UHFFFAOYSA-N 2 2 323.431 3.008 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000353544873 434216878 /nfs/dbraw/zinc/21/68/78/434216878.db2.gz RGSIFXDKRMKJCN-RKVPGOIHSA-N 2 2 323.456 3.007 20 0 DGADLP c1n[nH]c2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc12 ZINC000423098189 434219799 /nfs/dbraw/zinc/21/97/99/434219799.db2.gz CMJSNMFFGYJELS-FGTMMUONSA-N 2 2 312.461 3.006 20 0 DGADLP c1cc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)nc2[nH]1 ZINC000423128361 434239732 /nfs/dbraw/zinc/23/97/32/434239732.db2.gz VTXRXJUDIJJIND-FUHWJXTLSA-N 2 2 306.413 3.146 20 0 DGADLP C[C@@H](NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCC[NH2+]1 ZINC000423143986 434244075 /nfs/dbraw/zinc/24/40/75/434244075.db2.gz FVUZDXOMKBPVRF-CJNGLKHVSA-N 2 2 318.852 3.146 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000320941388 434246020 /nfs/dbraw/zinc/24/60/20/434246020.db2.gz ZDCKHACEFXYNAI-UXHICEINSA-N 2 2 315.505 3.143 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000320941388 434246034 /nfs/dbraw/zinc/24/60/34/434246034.db2.gz ZDCKHACEFXYNAI-UXHICEINSA-N 2 2 315.505 3.143 20 0 DGADLP C[C@H](CCCC[NH3+])[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423143202 434246068 /nfs/dbraw/zinc/24/60/68/434246068.db2.gz COUCNECYIFWDLN-CYBMUJFWSA-N 3 2 306.841 3.133 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423146572 434246165 /nfs/dbraw/zinc/24/61/65/434246165.db2.gz PQRVPXYWNWPZFW-CJNGLKHVSA-N 3 2 318.852 3.003 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321438348 434248457 /nfs/dbraw/zinc/24/84/57/434248457.db2.gz MICJBZYTJFJVHE-INIZCTEOSA-N 3 2 309.417 3.200 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2ccnc2)cc1 ZINC000321438348 434248462 /nfs/dbraw/zinc/24/84/62/434248462.db2.gz MICJBZYTJFJVHE-INIZCTEOSA-N 2 2 309.417 3.200 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000423152821 434251482 /nfs/dbraw/zinc/25/14/82/434251482.db2.gz MNCCVEVKLKVZDX-RBUKOAKNSA-N 3 2 315.505 3.291 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000321720347 434253180 /nfs/dbraw/zinc/25/31/80/434253180.db2.gz ZINMLTGOYQCBHY-JBBXEZCESA-N 2 2 312.413 3.499 20 0 DGADLP CC(C)c1nc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000346743132 434258148 /nfs/dbraw/zinc/25/81/48/434258148.db2.gz NHOGMONZQRERHC-IYBDPMFKSA-N 2 2 304.482 3.770 20 0 DGADLP CC(C)c1nc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000346743132 434258160 /nfs/dbraw/zinc/25/81/60/434258160.db2.gz NHOGMONZQRERHC-IYBDPMFKSA-N 2 2 304.482 3.770 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000340637555 434258297 /nfs/dbraw/zinc/25/82/97/434258297.db2.gz IFQFQBBXXBYYAJ-GJZGRUSLSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000340637555 434258305 /nfs/dbraw/zinc/25/83/05/434258305.db2.gz IFQFQBBXXBYYAJ-GJZGRUSLSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423166880 434258519 /nfs/dbraw/zinc/25/85/19/434258519.db2.gz ZREXFBHVIXEOEF-DOMZBBRYSA-N 2 2 323.362 3.149 20 0 DGADLP CC(C)c1nc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000346743128 434259040 /nfs/dbraw/zinc/25/90/40/434259040.db2.gz NHOGMONZQRERHC-HOTGVXAUSA-N 2 2 304.482 3.770 20 0 DGADLP C[C@@H](c1ccccc1F)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000340640096 434262281 /nfs/dbraw/zinc/26/22/81/434262281.db2.gz XWPNFMYNJCUFCX-CABCVRRESA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H](c1ccccc1F)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000340640096 434262285 /nfs/dbraw/zinc/26/22/85/434262285.db2.gz XWPNFMYNJCUFCX-CABCVRRESA-N 2 2 306.425 3.072 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000423177279 434266911 /nfs/dbraw/zinc/26/69/11/434266911.db2.gz GXWFZLPHONHILE-SECBINFHSA-N 2 2 313.232 3.097 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423186898 434269633 /nfs/dbraw/zinc/26/96/33/434269633.db2.gz KNEHINXJTHHMFG-DOMZBBRYSA-N 2 2 318.852 3.237 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110778 434224916 /nfs/dbraw/zinc/22/49/16/434224916.db2.gz VDKHWBWOWKCLQO-WMLDXEAASA-N 3 2 311.901 3.440 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110778 434224923 /nfs/dbraw/zinc/22/49/23/434224923.db2.gz VDKHWBWOWKCLQO-WMLDXEAASA-N 3 2 311.901 3.440 20 0 DGADLP C([NH2+]C1CC[NH+](C2CC2)CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000324542461 434275565 /nfs/dbraw/zinc/27/55/65/434275565.db2.gz OHJUDTGHVAQPFZ-UHFFFAOYSA-N 3 2 319.537 3.392 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000423116566 434226882 /nfs/dbraw/zinc/22/68/82/434226882.db2.gz QKVZDQRPHZHPCO-WDEREUQCSA-N 2 2 303.269 3.260 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000295143133 434227766 /nfs/dbraw/zinc/22/77/66/434227766.db2.gz ZUCXHPZLMPXWII-SFHVURJKSA-N 2 2 300.446 3.197 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000295143133 434227772 /nfs/dbraw/zinc/22/77/72/434227772.db2.gz ZUCXHPZLMPXWII-SFHVURJKSA-N 2 2 300.446 3.197 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)[C@H]1CCC[NH2+]1 ZINC000423114439 434228906 /nfs/dbraw/zinc/22/89/06/434228906.db2.gz VRLYBAKANRLACN-IMSIIYSGSA-N 2 2 315.230 3.379 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423114037 434229042 /nfs/dbraw/zinc/22/90/42/434229042.db2.gz ZUBARICSIZLEAY-IAGOWNOFSA-N 2 2 305.441 3.176 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)ccc2n1C1CC1 ZINC000423116273 434229300 /nfs/dbraw/zinc/22/93/00/434229300.db2.gz PDDSREHKJNLXLH-DYVFJYSZSA-N 2 2 312.461 3.021 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423114440 434230386 /nfs/dbraw/zinc/23/03/86/434230386.db2.gz VRLYBAKANRLACN-ISTVAULSSA-N 2 2 315.230 3.379 20 0 DGADLP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc[nH+]1 ZINC000353560539 434231366 /nfs/dbraw/zinc/23/13/66/434231366.db2.gz YKGPGRIANXMVPT-FQEVSTJZSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc[nH+]1 ZINC000353560539 434231375 /nfs/dbraw/zinc/23/13/75/434231375.db2.gz YKGPGRIANXMVPT-FQEVSTJZSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](c2nccn2C)c2ccccc2)c[nH+]1 ZINC000516226396 294597779 /nfs/dbraw/zinc/59/77/79/294597779.db2.gz MKJIIWOGIBEJAF-LJQANCHMSA-N 2 2 320.440 3.435 20 0 DGADLP Oc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1Cl ZINC000295256252 434278558 /nfs/dbraw/zinc/27/85/58/434278558.db2.gz GKCXNRANCCGWPT-OAHLLOKOSA-N 2 2 308.853 3.496 20 0 DGADLP Oc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1Cl ZINC000295256252 434278569 /nfs/dbraw/zinc/27/85/69/434278569.db2.gz GKCXNRANCCGWPT-OAHLLOKOSA-N 2 2 308.853 3.496 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423196985 434282192 /nfs/dbraw/zinc/28/21/92/434282192.db2.gz XDNNJDQHVNONQD-YPMHNXCESA-N 2 2 300.418 3.446 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009257 434283007 /nfs/dbraw/zinc/28/30/07/434283007.db2.gz VEIKWJBLHGREBF-VQIMIIECSA-N 2 2 304.478 3.084 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009257 434283013 /nfs/dbraw/zinc/28/30/13/434283013.db2.gz VEIKWJBLHGREBF-VQIMIIECSA-N 2 2 304.478 3.084 20 0 DGADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000423207565 434285202 /nfs/dbraw/zinc/28/52/02/434285202.db2.gz RWEXZZWXAKQGSR-BXUZGUMPSA-N 2 2 317.433 3.278 20 0 DGADLP Cc1ccc(CCC[N@H+](CCC2CCCCC2)CC(N)=O)c[nH+]1 ZINC000353627794 434285988 /nfs/dbraw/zinc/28/59/88/434285988.db2.gz SNKBTLYXPKRZOH-UHFFFAOYSA-N 2 2 317.477 3.080 20 0 DGADLP Cc1ccc(CCC[N@@H+](CCC2CCCCC2)CC(N)=O)c[nH+]1 ZINC000353627794 434285998 /nfs/dbraw/zinc/28/59/98/434285998.db2.gz SNKBTLYXPKRZOH-UHFFFAOYSA-N 2 2 317.477 3.080 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423277587 434333362 /nfs/dbraw/zinc/33/33/62/434333362.db2.gz QAGKBGKGEVONCF-HBFSDRIKSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423277587 434333373 /nfs/dbraw/zinc/33/33/73/434333373.db2.gz QAGKBGKGEVONCF-HBFSDRIKSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC[N@@H+]1C ZINC000358018211 434291344 /nfs/dbraw/zinc/29/13/44/434291344.db2.gz JHNSFKIXVNSFHJ-PILAGYSTSA-N 2 2 306.425 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC[N@H+]1C ZINC000358018211 434291353 /nfs/dbraw/zinc/29/13/53/434291353.db2.gz JHNSFKIXVNSFHJ-PILAGYSTSA-N 2 2 306.425 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000358018213 434291390 /nfs/dbraw/zinc/29/13/90/434291390.db2.gz JHNSFKIXVNSFHJ-ZSGPHXLJSA-N 2 2 306.425 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC[N@H+]1C ZINC000358018213 434291400 /nfs/dbraw/zinc/29/14/00/434291400.db2.gz JHNSFKIXVNSFHJ-ZSGPHXLJSA-N 2 2 306.425 3.118 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423233033 434299721 /nfs/dbraw/zinc/29/97/21/434299721.db2.gz DCKOPDLJTONRSW-DYVFJYSZSA-N 2 2 301.409 3.242 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423233035 434300624 /nfs/dbraw/zinc/30/06/24/434300624.db2.gz DCKOPDLJTONRSW-GUYCJALGSA-N 2 2 301.409 3.242 20 0 DGADLP C[N@H+](Cc1ccc(Br)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000385168531 434301091 /nfs/dbraw/zinc/30/10/91/434301091.db2.gz KRXWRBHQQKOKBZ-UHFFFAOYSA-N 2 2 317.658 3.416 20 0 DGADLP C[N@@H+](Cc1ccc(Br)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000385168531 434301100 /nfs/dbraw/zinc/30/11/00/434301100.db2.gz KRXWRBHQQKOKBZ-UHFFFAOYSA-N 2 2 317.658 3.416 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423229264 434301581 /nfs/dbraw/zinc/30/15/81/434301581.db2.gz ANPVDQRXXWSFIX-ICSRJNTNSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c[nH+]1 ZINC000353651967 434305729 /nfs/dbraw/zinc/30/57/29/434305729.db2.gz QIPKDXHKBDJKDX-NRFANRHFSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c[nH+]1 ZINC000353651967 434305735 /nfs/dbraw/zinc/30/57/35/434305735.db2.gz QIPKDXHKBDJKDX-NRFANRHFSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cnn1-c1cccc(Cl)c1 ZINC000423278930 434333802 /nfs/dbraw/zinc/33/38/02/434333802.db2.gz RLIAAKINAANCGI-YVEFUNNKSA-N 2 2 320.868 3.468 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000423238775 434305978 /nfs/dbraw/zinc/30/59/78/434305978.db2.gz JITGHCYCCZIKMV-RHSMWYFYSA-N 2 2 312.413 3.199 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccncc2OCCC(C)(C)C)CC1 ZINC000287228882 434310424 /nfs/dbraw/zinc/31/04/24/434310424.db2.gz GMRKYBLZQTVNON-UHFFFAOYSA-N 2 2 305.466 3.080 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000386819596 434313683 /nfs/dbraw/zinc/31/36/83/434313683.db2.gz FYLCOJKJVKZWCB-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000386819596 434313693 /nfs/dbraw/zinc/31/36/93/434313693.db2.gz FYLCOJKJVKZWCB-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423249816 434315895 /nfs/dbraw/zinc/31/58/95/434315895.db2.gz UFKRVCLVKIKLNN-HNAYVOBHSA-N 2 2 314.429 3.062 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCO1 ZINC000386947071 434318164 /nfs/dbraw/zinc/31/81/64/434318164.db2.gz WSUAYIQZWAUPIK-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCCO1 ZINC000386947071 434318173 /nfs/dbraw/zinc/31/81/73/434318173.db2.gz WSUAYIQZWAUPIK-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000423258801 434318534 /nfs/dbraw/zinc/31/85/34/434318534.db2.gz CLLYCFGVWHIKCE-CXAGYDPISA-N 2 2 306.450 3.262 20 0 DGADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259154 434319055 /nfs/dbraw/zinc/31/90/55/434319055.db2.gz DCJYLXFUTSHPNR-AHRSYUTCSA-N 2 2 315.505 3.004 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000387488838 434321730 /nfs/dbraw/zinc/32/17/30/434321730.db2.gz WMBDFRXNLQKRFA-GUDVDZBRSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358085327 434322390 /nfs/dbraw/zinc/32/23/90/434322390.db2.gz UANQAKKRDCPRDQ-OXQOHEQNSA-N 2 2 310.441 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000358085327 434322398 /nfs/dbraw/zinc/32/23/98/434322398.db2.gz UANQAKKRDCPRDQ-OXQOHEQNSA-N 2 2 310.441 3.045 20 0 DGADLP COC(=O)c1csc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000423274140 434328460 /nfs/dbraw/zinc/32/84/60/434328460.db2.gz KBBPONPGBDNDNC-ZDUSSCGKSA-N 2 2 324.490 3.498 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437768423 434329681 /nfs/dbraw/zinc/32/96/81/434329681.db2.gz BDCJTDFTWHQWTR-HOJAQTOUSA-N 2 2 316.489 3.197 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423271461 434330351 /nfs/dbraw/zinc/33/03/51/434330351.db2.gz HNVYSJINCOZEQD-YGRLFVJLSA-N 2 2 305.422 3.337 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000423278516 434332053 /nfs/dbraw/zinc/33/20/53/434332053.db2.gz RGOWYXWYKDTRNE-NXEZZACHSA-N 2 2 303.219 3.094 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)C)CC1 ZINC000353615989 434277006 /nfs/dbraw/zinc/27/70/06/434277006.db2.gz XYHLNBTVCNOVNY-UHFFFAOYSA-N 2 2 312.498 3.066 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000390568631 434361244 /nfs/dbraw/zinc/36/12/44/434361244.db2.gz RLVNHUKHFXVRSO-UKBAYJJMSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000390568631 434361250 /nfs/dbraw/zinc/36/12/50/434361250.db2.gz RLVNHUKHFXVRSO-UKBAYJJMSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)s1 ZINC000366219598 434363300 /nfs/dbraw/zinc/36/33/00/434363300.db2.gz RSEQYNWBNQQJSP-UPJWGTAASA-N 2 2 314.882 3.305 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)s1 ZINC000366219598 434363305 /nfs/dbraw/zinc/36/33/05/434363305.db2.gz RSEQYNWBNQQJSP-UPJWGTAASA-N 2 2 314.882 3.305 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423325515 434365097 /nfs/dbraw/zinc/36/50/97/434365097.db2.gz IWGZZNNILAHJMA-OAHLLOKOSA-N 2 2 317.477 3.050 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000287459612 434365551 /nfs/dbraw/zinc/36/55/51/434365551.db2.gz VQVICLTYBUUYSI-MNEFBYGVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000287459612 434365560 /nfs/dbraw/zinc/36/55/60/434365560.db2.gz VQVICLTYBUUYSI-MNEFBYGVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@]1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CCC[NH2+]C1 ZINC000423330353 434366233 /nfs/dbraw/zinc/36/62/33/434366233.db2.gz FVCKDNBBOXRCAT-MOPGFXCFSA-N 2 2 313.420 3.289 20 0 DGADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000423326189 434366298 /nfs/dbraw/zinc/36/62/98/434366298.db2.gz QREVTHOUEAFQOT-KRWDZBQOSA-N 2 2 312.417 3.109 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366235261 434367263 /nfs/dbraw/zinc/36/72/63/434367263.db2.gz JOSNBVPGTMLPFS-HRCADAONSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366235261 434367271 /nfs/dbraw/zinc/36/72/71/434367271.db2.gz JOSNBVPGTMLPFS-HRCADAONSA-N 2 2 320.502 3.312 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000287482365 434369478 /nfs/dbraw/zinc/36/94/78/434369478.db2.gz KGHDNOOKBHBNGE-OAHLLOKOSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000287482365 434369488 /nfs/dbraw/zinc/36/94/88/434369488.db2.gz KGHDNOOKBHBNGE-OAHLLOKOSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000517932166 294698253 /nfs/dbraw/zinc/69/82/53/294698253.db2.gz FTIAODWKJOIHKC-HIFRSBDPSA-N 2 2 312.417 3.231 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000366251064 434369992 /nfs/dbraw/zinc/36/99/92/434369992.db2.gz VBDRXGRUBCVXIP-FXAWDEMLSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000366251064 434370002 /nfs/dbraw/zinc/37/00/02/434370002.db2.gz VBDRXGRUBCVXIP-FXAWDEMLSA-N 2 2 309.457 3.358 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423340673 434370101 /nfs/dbraw/zinc/37/01/01/434370101.db2.gz SXLUTKMCJYDAKZ-DOTOQJQBSA-N 2 2 310.869 3.192 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417377932 434372889 /nfs/dbraw/zinc/37/28/89/434372889.db2.gz GNWLJUAMOYATHU-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP CSCc1cnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000295464979 434374629 /nfs/dbraw/zinc/37/46/29/434374629.db2.gz WEMFGOGAIYQUDQ-UHFFFAOYSA-N 2 2 308.476 3.040 20 0 DGADLP COC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423347923 434376707 /nfs/dbraw/zinc/37/67/07/434376707.db2.gz SFLUFZOPMHBANV-ZBFHGGJFSA-N 2 2 314.832 3.146 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncn1 ZINC000390898909 434377280 /nfs/dbraw/zinc/37/72/80/434377280.db2.gz GBZQQOWXLRWLMG-BPIHKTFHSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncn1 ZINC000390898909 434377292 /nfs/dbraw/zinc/37/72/92/434377292.db2.gz GBZQQOWXLRWLMG-BPIHKTFHSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000358197755 434378149 /nfs/dbraw/zinc/37/81/49/434378149.db2.gz GDIULAPBLGNZIZ-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000358197755 434378158 /nfs/dbraw/zinc/37/81/58/434378158.db2.gz GDIULAPBLGNZIZ-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358198698 434381917 /nfs/dbraw/zinc/38/19/17/434381917.db2.gz YURYTKCRLOPJNC-JCURWCKSSA-N 2 2 308.853 3.100 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358198698 434381924 /nfs/dbraw/zinc/38/19/24/434381924.db2.gz YURYTKCRLOPJNC-JCURWCKSSA-N 2 2 308.853 3.100 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H](C)[NH3+] ZINC000423366997 434384496 /nfs/dbraw/zinc/38/44/96/434384496.db2.gz YBYVETYUVGVTCX-DYVFJYSZSA-N 2 2 313.401 3.432 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H](C)[NH3+] ZINC000423366998 434385675 /nfs/dbraw/zinc/38/56/75/434385675.db2.gz YBYVETYUVGVTCX-GUYCJALGSA-N 2 2 313.401 3.432 20 0 DGADLP C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544358 434389290 /nfs/dbraw/zinc/38/92/90/434389290.db2.gz IWHHFRVZUTWGDL-LSDHHAIUSA-N 2 2 319.474 3.449 20 0 DGADLP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544358 434389298 /nfs/dbraw/zinc/38/92/98/434389298.db2.gz IWHHFRVZUTWGDL-LSDHHAIUSA-N 2 2 319.474 3.449 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c(C)c1OC ZINC000353685379 434335058 /nfs/dbraw/zinc/33/50/58/434335058.db2.gz VHOUXZMDOBLOLQ-QRTARXTBSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1OC ZINC000353685379 434335068 /nfs/dbraw/zinc/33/50/68/434335068.db2.gz VHOUXZMDOBLOLQ-QRTARXTBSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1OC ZINC000353685378 434336499 /nfs/dbraw/zinc/33/64/99/434336499.db2.gz VHOUXZMDOBLOLQ-LXZKKBNFSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1OC ZINC000353685378 434336509 /nfs/dbraw/zinc/33/65/09/434336509.db2.gz VHOUXZMDOBLOLQ-LXZKKBNFSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC(C)(C)[NH3+])cnn1-c1cc(C)ccc1C ZINC000423286349 434338967 /nfs/dbraw/zinc/33/89/67/434338967.db2.gz GRCBUZRBDYTDBP-CQSZACIVSA-N 2 2 300.450 3.185 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1OC ZINC000353686333 434341217 /nfs/dbraw/zinc/34/12/17/434341217.db2.gz XBNZEZZFPULYSH-LZWOXQAQSA-N 2 2 306.450 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1OC ZINC000353686333 434341224 /nfs/dbraw/zinc/34/12/24/434341224.db2.gz XBNZEZZFPULYSH-LZWOXQAQSA-N 2 2 306.450 3.146 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423279915 434341249 /nfs/dbraw/zinc/34/12/49/434341249.db2.gz SBTNUJIMTNIBLO-KSSFIOAISA-N 2 2 312.461 3.185 20 0 DGADLP CCCC[C@H](C[NH3+])N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000423293671 434343128 /nfs/dbraw/zinc/34/31/28/434343128.db2.gz ANLZAJDGZHFSNZ-HZPDHXFCSA-N 2 2 320.868 3.270 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000389804996 434352986 /nfs/dbraw/zinc/35/29/86/434352986.db2.gz ABTIVUXPXZZWKZ-AHRSYUTCSA-N 2 2 322.452 3.100 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000389804996 434352992 /nfs/dbraw/zinc/35/29/92/434352992.db2.gz ABTIVUXPXZZWKZ-AHRSYUTCSA-N 2 2 322.452 3.100 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321291 434353670 /nfs/dbraw/zinc/35/36/70/434353670.db2.gz LHPGTLJAFXSGCN-LUKYLMHMSA-N 2 2 322.518 3.187 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321291 434353679 /nfs/dbraw/zinc/35/36/79/434353679.db2.gz LHPGTLJAFXSGCN-LUKYLMHMSA-N 2 2 322.518 3.187 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423313937 434356487 /nfs/dbraw/zinc/35/64/87/434356487.db2.gz GLXJNRNCCZTSDO-IINYFYTJSA-N 2 2 305.422 3.337 20 0 DGADLP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348682586 434444444 /nfs/dbraw/zinc/44/44/44/434444444.db2.gz NFTYLABVNGPKCV-XUVXKRRUSA-N 2 2 316.489 3.039 20 0 DGADLP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348682586 434444458 /nfs/dbraw/zinc/44/44/58/434444458.db2.gz NFTYLABVNGPKCV-XUVXKRRUSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376938 434393485 /nfs/dbraw/zinc/39/34/85/434393485.db2.gz JLHWLEZKWKJYHU-IERDGZPVSA-N 3 2 321.468 3.215 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376938 434393496 /nfs/dbraw/zinc/39/34/96/434393496.db2.gz JLHWLEZKWKJYHU-IERDGZPVSA-N 3 2 321.468 3.215 20 0 DGADLP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@H]3[NH2+]CCCC3(C)C)cc12 ZINC000423389013 434394740 /nfs/dbraw/zinc/39/47/40/434394740.db2.gz NFNXSGYGTULGAO-IUODEOHRSA-N 2 2 320.506 3.372 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423386995 434398469 /nfs/dbraw/zinc/39/84/69/434398469.db2.gz LVNZNQOYJMHOOQ-MOPGFXCFSA-N 2 2 324.472 3.128 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cccn2)cc1 ZINC000423392827 434400975 /nfs/dbraw/zinc/40/09/75/434400975.db2.gz QSGQIQQVKAIFDF-MAUKXSAKSA-N 2 2 312.461 3.301 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751466 434403330 /nfs/dbraw/zinc/40/33/30/434403330.db2.gz PSEAAWJYWRBYPS-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751466 434403337 /nfs/dbraw/zinc/40/33/37/434403337.db2.gz PSEAAWJYWRBYPS-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751466 434403348 /nfs/dbraw/zinc/40/33/48/434403348.db2.gz PSEAAWJYWRBYPS-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751466 434403362 /nfs/dbraw/zinc/40/33/62/434403362.db2.gz PSEAAWJYWRBYPS-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752687 434404419 /nfs/dbraw/zinc/40/44/19/434404419.db2.gz TWMYLIWKGSGZRP-STQMWFEESA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752687 434404424 /nfs/dbraw/zinc/40/44/24/434404424.db2.gz TWMYLIWKGSGZRP-STQMWFEESA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752687 434404433 /nfs/dbraw/zinc/40/44/33/434404433.db2.gz TWMYLIWKGSGZRP-STQMWFEESA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752687 434404440 /nfs/dbraw/zinc/40/44/40/434404440.db2.gz TWMYLIWKGSGZRP-STQMWFEESA-N 2 2 315.383 3.405 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(CO)(c3ccccc3)CC2)c[nH+]1 ZINC000353754878 434406000 /nfs/dbraw/zinc/40/60/00/434406000.db2.gz RCMBHVGXUYLUFD-UHFFFAOYSA-N 2 2 324.468 3.349 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(F)cccc2Br)C[C@H]1C[NH3+] ZINC000394819887 434407171 /nfs/dbraw/zinc/40/71/71/434407171.db2.gz XDDSYXVIUOOFCW-WDEREUQCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2Br)C[C@H]1C[NH3+] ZINC000394819887 434407181 /nfs/dbraw/zinc/40/71/81/434407181.db2.gz XDDSYXVIUOOFCW-WDEREUQCSA-N 2 2 315.230 3.005 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423404651 434407969 /nfs/dbraw/zinc/40/79/69/434407969.db2.gz ZZANOUWRPWQEBJ-CRAIPNDOSA-N 2 2 318.461 3.059 20 0 DGADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc21 ZINC000438109442 434408297 /nfs/dbraw/zinc/40/82/97/434408297.db2.gz KIZQAAYGABHLKT-HNNXBMFYSA-N 2 2 311.360 3.355 20 0 DGADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc21 ZINC000438109442 434408307 /nfs/dbraw/zinc/40/83/07/434408307.db2.gz KIZQAAYGABHLKT-HNNXBMFYSA-N 2 2 311.360 3.355 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423415956 434412798 /nfs/dbraw/zinc/41/27/98/434412798.db2.gz FJRMLCHZZIAGDR-PNYFIKQUSA-N 2 2 314.473 3.058 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395141101 434415980 /nfs/dbraw/zinc/41/59/80/434415980.db2.gz HKYXVCPMKUNVJP-IHPCNDPISA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395141101 434415987 /nfs/dbraw/zinc/41/59/87/434415987.db2.gz HKYXVCPMKUNVJP-IHPCNDPISA-N 3 2 315.505 3.019 20 0 DGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423421108 434416767 /nfs/dbraw/zinc/41/67/67/434416767.db2.gz XPBAYGWCAPNNGA-KUHUBIRLSA-N 2 2 316.445 3.414 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)COC2 ZINC000423429682 434418917 /nfs/dbraw/zinc/41/89/17/434418917.db2.gz PEQIAUWUBNGDPF-VLIAUNLRSA-N 2 2 308.425 3.254 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121558 434419027 /nfs/dbraw/zinc/41/90/27/434419027.db2.gz YQPHEAXRKBYUHN-UGSOOPFHSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121558 434419037 /nfs/dbraw/zinc/41/90/37/434419037.db2.gz YQPHEAXRKBYUHN-UGSOOPFHSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121558 434419044 /nfs/dbraw/zinc/41/90/44/434419044.db2.gz YQPHEAXRKBYUHN-UGSOOPFHSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121558 434419057 /nfs/dbraw/zinc/41/90/57/434419057.db2.gz YQPHEAXRKBYUHN-UGSOOPFHSA-N 2 2 301.409 3.223 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000348632096 434420552 /nfs/dbraw/zinc/42/05/52/434420552.db2.gz GXPDOWBJOXHFBR-DZGCQCFKSA-N 2 2 318.852 3.046 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423430652 434420551 /nfs/dbraw/zinc/42/05/51/434420551.db2.gz PWIKLGDBYMFNOU-WOJBJXKFSA-N 2 2 308.425 3.159 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879457 434421160 /nfs/dbraw/zinc/42/11/60/434421160.db2.gz GVGGIGZNTSUQFA-IEBWSBKVSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879457 434421167 /nfs/dbraw/zinc/42/11/67/434421167.db2.gz GVGGIGZNTSUQFA-IEBWSBKVSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423443670 434428904 /nfs/dbraw/zinc/42/89/04/434428904.db2.gz XEIZXTYACKPMKO-UZLBHIALSA-N 2 2 309.457 3.269 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000397259207 434431737 /nfs/dbraw/zinc/43/17/37/434431737.db2.gz GPEQJEPWKINBGJ-JFGNBEQYSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000397259207 434431747 /nfs/dbraw/zinc/43/17/47/434431747.db2.gz GPEQJEPWKINBGJ-JFGNBEQYSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000397318592 434438570 /nfs/dbraw/zinc/43/85/70/434438570.db2.gz RVTQYUAQDWFZBH-MXWKQRLJSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Br)s2)C[C@@H]1C[NH3+] ZINC000397318592 434438577 /nfs/dbraw/zinc/43/85/77/434438577.db2.gz RVTQYUAQDWFZBH-MXWKQRLJSA-N 2 2 317.296 3.316 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2CC)C12CCC2 ZINC000423498846 434460627 /nfs/dbraw/zinc/46/06/27/434460627.db2.gz ILHIWLWPPYTXFO-KZNAEPCWSA-N 2 2 302.462 3.186 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423498985 434461523 /nfs/dbraw/zinc/46/15/23/434461523.db2.gz IWINDMCBHXSYEJ-KSSFIOAISA-N 2 2 300.450 3.377 20 0 DGADLP c1cc2c(nc[nH+]c2N(CC[NH+]2CCCCCC2)C2CCC2)[nH]1 ZINC000359982263 434461926 /nfs/dbraw/zinc/46/19/26/434461926.db2.gz VTTUZJRPYZBVKN-UHFFFAOYSA-N 2 2 313.449 3.193 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000423496877 434462312 /nfs/dbraw/zinc/46/23/12/434462312.db2.gz FRZCSFXHXQIJGQ-PBHICJAKSA-N 2 2 322.456 3.486 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C12CCCC2 ZINC000423509300 434467666 /nfs/dbraw/zinc/46/76/66/434467666.db2.gz JKHJHZBHCWSMIH-WJFTUGDTSA-N 2 2 314.473 3.069 20 0 DGADLP c1ccc(CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423516818 434472135 /nfs/dbraw/zinc/47/21/35/434472135.db2.gz GYXLKTHPALOJGG-LEWJYISDSA-N 2 2 324.468 3.329 20 0 DGADLP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423515546 434472701 /nfs/dbraw/zinc/47/27/01/434472701.db2.gz AEMHOSLAMOWJQL-KRWDZBQOSA-N 3 2 317.521 3.394 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423514899 434473079 /nfs/dbraw/zinc/47/30/79/434473079.db2.gz XBYMRRXHEBNYGF-WJFTUGDTSA-N 2 2 314.473 3.186 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1Cl ZINC000423522709 434474630 /nfs/dbraw/zinc/47/46/30/434474630.db2.gz RMDWMTOFGHDORQ-JQWIXIFHSA-N 2 2 303.233 3.023 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(OC)cc1 ZINC000423526760 434475473 /nfs/dbraw/zinc/47/54/73/434475473.db2.gz LNHBDEJELYRFRH-XUVXKRRUSA-N 2 2 310.441 3.492 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1Cl ZINC000423522710 434477180 /nfs/dbraw/zinc/47/71/80/434477180.db2.gz RMDWMTOFGHDORQ-PWSUYJOCSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1Br ZINC000423523336 434477317 /nfs/dbraw/zinc/47/73/17/434477317.db2.gz IGFSIUPODCUDPM-SNVBAGLBSA-N 2 2 315.230 3.381 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423528138 434477813 /nfs/dbraw/zinc/47/78/13/434477813.db2.gz NDOFNAXYDMZLDB-XUVXKRRUSA-N 2 2 308.425 3.028 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534199 434481875 /nfs/dbraw/zinc/48/18/75/434481875.db2.gz VLOSJWGCVJOYER-ZYSHUDEJSA-N 2 2 310.441 3.410 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000341006087 434482190 /nfs/dbraw/zinc/48/21/90/434482190.db2.gz JTOIARKLSMDTBE-GHMZBOCLSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@H+]1C ZINC000341006087 434482197 /nfs/dbraw/zinc/48/21/97/434482197.db2.gz JTOIARKLSMDTBE-GHMZBOCLSA-N 2 2 320.330 3.297 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)ncc1F ZINC000296035757 434487163 /nfs/dbraw/zinc/48/71/63/434487163.db2.gz NPGYETSKGJKCSN-UHFFFAOYSA-N 2 2 319.399 3.444 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000401040943 434490559 /nfs/dbraw/zinc/49/05/59/434490559.db2.gz TZCUKZBBKMHKQF-IYWMVGAKSA-N 3 2 315.505 3.047 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)on1 ZINC000348785955 434493131 /nfs/dbraw/zinc/49/31/31/434493131.db2.gz SECRISVHKFECJB-CRAIPNDOSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)on1 ZINC000348785955 434493140 /nfs/dbraw/zinc/49/31/40/434493140.db2.gz SECRISVHKFECJB-CRAIPNDOSA-N 2 2 313.445 3.026 20 0 DGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423492894 434453475 /nfs/dbraw/zinc/45/34/75/434453475.db2.gz OXSITTGLEQGYRR-UONOGXRCSA-N 2 2 302.418 3.024 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423498989 434458165 /nfs/dbraw/zinc/45/81/65/434458165.db2.gz IWVXNPVZLTVPDV-AUUYWEPGSA-N 3 2 312.461 3.349 20 0 DGADLP Cc1ccc(CCC[N@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000348819299 434510599 /nfs/dbraw/zinc/51/05/99/434510599.db2.gz WSWOXFSYKZFVJI-UHFFFAOYSA-N 2 2 315.461 3.370 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000348819299 434510606 /nfs/dbraw/zinc/51/06/06/434510606.db2.gz WSWOXFSYKZFVJI-UHFFFAOYSA-N 2 2 315.461 3.370 20 0 DGADLP Cc1ccc(CCC[NH+](C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000348819299 434510616 /nfs/dbraw/zinc/51/06/16/434510616.db2.gz WSWOXFSYKZFVJI-UHFFFAOYSA-N 2 2 315.461 3.370 20 0 DGADLP Cc1ccc(CCC[NH+](C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000348819299 434510623 /nfs/dbraw/zinc/51/06/23/434510623.db2.gz WSWOXFSYKZFVJI-UHFFFAOYSA-N 2 2 315.461 3.370 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404325778 434511820 /nfs/dbraw/zinc/51/18/20/434511820.db2.gz UZKQHVNVWMLUOI-YJBOKZPZSA-N 2 2 317.477 3.198 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404325778 434511827 /nfs/dbraw/zinc/51/18/27/434511827.db2.gz UZKQHVNVWMLUOI-YJBOKZPZSA-N 2 2 317.477 3.198 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn2c1 ZINC000341054819 434514716 /nfs/dbraw/zinc/51/47/16/434514716.db2.gz WXVUDYXMRLVRCI-INIZCTEOSA-N 2 2 302.466 3.099 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000404496149 434517250 /nfs/dbraw/zinc/51/72/50/434517250.db2.gz QWQOQFRUZVGDGG-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360140514 434529893 /nfs/dbraw/zinc/52/98/93/434529893.db2.gz OXQHJMSPELJAAO-OXJNMPFZSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360140514 434529902 /nfs/dbraw/zinc/52/99/02/434529902.db2.gz OXQHJMSPELJAAO-OXJNMPFZSA-N 2 2 309.457 3.390 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000353932050 434531281 /nfs/dbraw/zinc/53/12/81/434531281.db2.gz KZOHJKWURVIKKA-QGZVFWFLSA-N 2 2 318.461 3.002 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(OC(F)F)cc1C ZINC000525195947 295003176 /nfs/dbraw/zinc/00/31/76/295003176.db2.gz GLCYJHTULXRKJX-HIFRSBDPSA-N 2 2 312.404 3.477 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(F)F)cc1C ZINC000525195947 295003177 /nfs/dbraw/zinc/00/31/77/295003177.db2.gz GLCYJHTULXRKJX-HIFRSBDPSA-N 2 2 312.404 3.477 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000353995916 434566472 /nfs/dbraw/zinc/56/64/72/434566472.db2.gz MDXZHRHIAXTYJC-SJLPKXTDSA-N 2 2 304.503 3.481 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000353995916 434566480 /nfs/dbraw/zinc/56/64/80/434566480.db2.gz MDXZHRHIAXTYJC-SJLPKXTDSA-N 2 2 304.503 3.481 20 0 DGADLP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527197515 295083092 /nfs/dbraw/zinc/08/30/92/295083092.db2.gz SVUWDFQMZBSFTQ-KRWDZBQOSA-N 2 2 304.409 3.113 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527514524 295100395 /nfs/dbraw/zinc/10/03/95/295100395.db2.gz HQYKOBVEZOTNJN-MRXNPFEDSA-N 2 2 312.404 3.071 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000527514524 295100396 /nfs/dbraw/zinc/10/03/96/295100396.db2.gz HQYKOBVEZOTNJN-MRXNPFEDSA-N 2 2 312.404 3.071 20 0 DGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527753197 295125875 /nfs/dbraw/zinc/12/58/75/295125875.db2.gz QXIZLZJRDGHWQE-SNPRPXQTSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527753197 295125877 /nfs/dbraw/zinc/12/58/77/295125877.db2.gz QXIZLZJRDGHWQE-SNPRPXQTSA-N 2 2 320.399 3.093 20 0 DGADLP COc1ccc[nH+]c1NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000527932233 295152865 /nfs/dbraw/zinc/15/28/65/295152865.db2.gz FOKHYARXZAVRHS-CQSZACIVSA-N 2 2 312.417 3.123 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)CC2)n1 ZINC000528002883 295164662 /nfs/dbraw/zinc/16/46/62/295164662.db2.gz RESCIAWVIZJZFY-DQPZFDDXSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)CC2)n1 ZINC000528002883 295164663 /nfs/dbraw/zinc/16/46/63/295164663.db2.gz RESCIAWVIZJZFY-DQPZFDDXSA-N 2 2 318.465 3.011 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459396081 434576817 /nfs/dbraw/zinc/57/68/17/434576817.db2.gz VOOPIZHZPBZGFU-IYBDPMFKSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459396081 434576824 /nfs/dbraw/zinc/57/68/24/434576824.db2.gz VOOPIZHZPBZGFU-IYBDPMFKSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)ccc1Oc1cc[nH+]cc1 ZINC000423912504 434577275 /nfs/dbraw/zinc/57/72/75/434577275.db2.gz TYKYYIRCMVGENC-VQIMIIECSA-N 2 2 323.396 3.120 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO2)cc1 ZINC000459402700 434580795 /nfs/dbraw/zinc/58/07/95/434580795.db2.gz ZTZYVQALQXQMMG-RBUKOAKNSA-N 2 2 318.436 3.262 20 0 DGADLP Cc1ccc2sc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)nc2c1 ZINC000528386493 295206219 /nfs/dbraw/zinc/20/62/19/295206219.db2.gz JEWQRJDXEVGUKT-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP Cc1ccc2sc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)nc2c1 ZINC000528386493 295206220 /nfs/dbraw/zinc/20/62/20/295206220.db2.gz JEWQRJDXEVGUKT-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP Cc1ccc2sc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)nc2c1 ZINC000528386493 295206222 /nfs/dbraw/zinc/20/62/22/295206222.db2.gz JEWQRJDXEVGUKT-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP Cc1ccc2sc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)nc2c1 ZINC000528386493 295206223 /nfs/dbraw/zinc/20/62/23/295206223.db2.gz JEWQRJDXEVGUKT-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccnc1C(F)(F)F ZINC000528394123 295207271 /nfs/dbraw/zinc/20/72/71/295207271.db2.gz XUWOOCCBVOLTBJ-AWEZNQCLSA-N 2 2 315.383 3.407 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccnc1C(F)(F)F ZINC000528394123 295207273 /nfs/dbraw/zinc/20/72/73/295207273.db2.gz XUWOOCCBVOLTBJ-AWEZNQCLSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccnc1C(F)(F)F ZINC000528394123 295207275 /nfs/dbraw/zinc/20/72/75/295207275.db2.gz XUWOOCCBVOLTBJ-AWEZNQCLSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccnc1C(F)(F)F ZINC000528394123 295207277 /nfs/dbraw/zinc/20/72/77/295207277.db2.gz XUWOOCCBVOLTBJ-AWEZNQCLSA-N 2 2 315.383 3.407 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(OC)c1 ZINC000423375942 295208771 /nfs/dbraw/zinc/20/87/71/295208771.db2.gz DLIZEKBLJQSFNF-CXAGYDPISA-N 2 2 306.450 3.133 20 0 DGADLP C/C(Cl)=C\C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528483939 295218403 /nfs/dbraw/zinc/21/84/03/295218403.db2.gz IPECCMVEFAZYCI-RUJPKEBESA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C\C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528483939 295218404 /nfs/dbraw/zinc/21/84/04/295218404.db2.gz IPECCMVEFAZYCI-RUJPKEBESA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C\C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483939 295218405 /nfs/dbraw/zinc/21/84/05/295218405.db2.gz IPECCMVEFAZYCI-RUJPKEBESA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C\C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483939 295218406 /nfs/dbraw/zinc/21/84/06/295218406.db2.gz IPECCMVEFAZYCI-RUJPKEBESA-N 2 2 313.898 3.348 20 0 DGADLP Cc1ccc2sc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)nc2c1 ZINC000528512270 295221580 /nfs/dbraw/zinc/22/15/80/295221580.db2.gz KCAYJRDXPSPOSG-KRWDZBQOSA-N 2 2 301.459 3.132 20 0 DGADLP Cc1ccc2sc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)nc2c1 ZINC000528512270 295221583 /nfs/dbraw/zinc/22/15/83/295221583.db2.gz KCAYJRDXPSPOSG-KRWDZBQOSA-N 2 2 301.459 3.132 20 0 DGADLP Cc1ccc2sc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)nc2c1 ZINC000528512270 295221584 /nfs/dbraw/zinc/22/15/84/295221584.db2.gz KCAYJRDXPSPOSG-KRWDZBQOSA-N 2 2 301.459 3.132 20 0 DGADLP Cc1ccc2sc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)nc2c1 ZINC000528512270 295221586 /nfs/dbraw/zinc/22/15/86/295221586.db2.gz KCAYJRDXPSPOSG-KRWDZBQOSA-N 2 2 301.459 3.132 20 0 DGADLP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000354025994 434585389 /nfs/dbraw/zinc/58/53/89/434585389.db2.gz LSPQHSUWCBQZAB-GOSISDBHSA-N 2 2 324.424 3.448 20 0 DGADLP CC1(C)Cc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000354025994 434585393 /nfs/dbraw/zinc/58/53/93/434585393.db2.gz LSPQHSUWCBQZAB-GOSISDBHSA-N 2 2 324.424 3.448 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000302685174 295343475 /nfs/dbraw/zinc/34/34/75/295343475.db2.gz YBYHXISIZQVNFP-HNNXBMFYSA-N 2 2 313.445 3.330 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000302685174 295343478 /nfs/dbraw/zinc/34/34/78/295343478.db2.gz YBYHXISIZQVNFP-HNNXBMFYSA-N 2 2 313.445 3.330 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](CO)CC3CCCCC3)n2c1 ZINC000418122230 434593160 /nfs/dbraw/zinc/59/31/60/434593160.db2.gz DRLJLUQCXLBKMY-INIZCTEOSA-N 2 2 301.434 3.064 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000354111441 434623993 /nfs/dbraw/zinc/62/39/93/434623993.db2.gz SLXKFNYPMVOQHR-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000354111441 434623997 /nfs/dbraw/zinc/62/39/97/434623997.db2.gz SLXKFNYPMVOQHR-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000459640571 434645499 /nfs/dbraw/zinc/64/54/99/434645499.db2.gz XGDIBQWCFCHXJN-LULLPPNCSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000459640571 434645503 /nfs/dbraw/zinc/64/55/03/434645503.db2.gz XGDIBQWCFCHXJN-LULLPPNCSA-N 2 2 302.462 3.368 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1OC ZINC000354124373 434631290 /nfs/dbraw/zinc/63/12/90/434631290.db2.gz KDINPILGPKHCSX-HUUCEWRRSA-N 2 2 308.466 3.126 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1OC ZINC000354124373 434631293 /nfs/dbraw/zinc/63/12/93/434631293.db2.gz KDINPILGPKHCSX-HUUCEWRRSA-N 2 2 308.466 3.126 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459552086 434603819 /nfs/dbraw/zinc/60/38/19/434603819.db2.gz QTNHWHCSWCDUPF-UHFFFAOYSA-N 2 2 313.449 3.025 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459552086 434603824 /nfs/dbraw/zinc/60/38/24/434603824.db2.gz QTNHWHCSWCDUPF-UHFFFAOYSA-N 2 2 313.449 3.025 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000424333303 434698340 /nfs/dbraw/zinc/69/83/40/434698340.db2.gz MEVYZDXQPULKMT-HUUCEWRRSA-N 2 2 305.809 3.355 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664065 434654766 /nfs/dbraw/zinc/65/47/66/434654766.db2.gz HVTYMPIMFUOWLU-PBXWNFIWSA-N 2 2 308.828 3.407 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664065 434654771 /nfs/dbraw/zinc/65/47/71/434654771.db2.gz HVTYMPIMFUOWLU-PBXWNFIWSA-N 2 2 308.828 3.407 20 0 DGADLP c1cn2c(cccc2C[NH+]2CCC(Cc3cccnc3)CC2)[nH+]1 ZINC000360640197 434656312 /nfs/dbraw/zinc/65/63/12/434656312.db2.gz XHMOCDSYBWTTAJ-UHFFFAOYSA-N 2 2 306.413 3.184 20 0 DGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(OC)c1 ZINC000354180155 434660464 /nfs/dbraw/zinc/66/04/64/434660464.db2.gz HDTPXLMISHWJKQ-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CC(CC(=O)OC)C1)c1ccccc1 ZINC000424249337 434667237 /nfs/dbraw/zinc/66/72/37/434667237.db2.gz ALLYYYSTYQPSPG-VJFUWPCTSA-N 2 2 318.461 3.001 20 0 DGADLP Cc1ccc(CCC[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000354212076 434672016 /nfs/dbraw/zinc/67/20/16/434672016.db2.gz OYMSJBUMUSPEFS-INIZCTEOSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1ccc(CCC[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000354212076 434672023 /nfs/dbraw/zinc/67/20/23/434672023.db2.gz OYMSJBUMUSPEFS-INIZCTEOSA-N 3 2 303.494 3.423 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459731981 434684991 /nfs/dbraw/zinc/68/49/91/434684991.db2.gz LQOBXTBFYVAAFF-WSTZPKSXSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459731981 434684996 /nfs/dbraw/zinc/68/49/96/434684996.db2.gz LQOBXTBFYVAAFF-WSTZPKSXSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459731981 434685002 /nfs/dbraw/zinc/68/50/02/434685002.db2.gz LQOBXTBFYVAAFF-WSTZPKSXSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459731981 434685007 /nfs/dbraw/zinc/68/50/07/434685007.db2.gz LQOBXTBFYVAAFF-WSTZPKSXSA-N 3 2 315.505 3.143 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349351619 434687289 /nfs/dbraw/zinc/68/72/89/434687289.db2.gz QQEMAAQWNWPWQB-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349351619 434687297 /nfs/dbraw/zinc/68/72/97/434687297.db2.gz QQEMAAQWNWPWQB-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000360967556 434746396 /nfs/dbraw/zinc/74/63/96/434746396.db2.gz ASIYSTIKFUQZBR-UHFFFAOYSA-N 2 2 324.852 3.092 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(F)cccc1N1CCCC1 ZINC000349383344 434700642 /nfs/dbraw/zinc/70/06/42/434700642.db2.gz MEKSGSMPCOPQMH-UHFFFAOYSA-N 2 2 307.457 3.200 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(F)cccc1N1CCCC1 ZINC000349383344 434700648 /nfs/dbraw/zinc/70/06/48/434700648.db2.gz MEKSGSMPCOPQMH-UHFFFAOYSA-N 2 2 307.457 3.200 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)c(F)c1 ZINC000349406325 434706762 /nfs/dbraw/zinc/70/67/62/434706762.db2.gz KRFMGEPYSYKEPP-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)c(F)c1 ZINC000349406325 434706771 /nfs/dbraw/zinc/70/67/71/434706771.db2.gz KRFMGEPYSYKEPP-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP CCn1nc(C[N@H+](CC)CCC[NH+]2CCCC2)c2ccccc21 ZINC000349418450 434708294 /nfs/dbraw/zinc/70/82/94/434708294.db2.gz NTPRNHFNNRBTEV-UHFFFAOYSA-N 2 2 314.477 3.364 20 0 DGADLP CCn1nc(C[N@@H+](CC)CCC[NH+]2CCCC2)c2ccccc21 ZINC000349418450 434708301 /nfs/dbraw/zinc/70/83/01/434708301.db2.gz NTPRNHFNNRBTEV-UHFFFAOYSA-N 2 2 314.477 3.364 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424379336 434714668 /nfs/dbraw/zinc/71/46/68/434714668.db2.gz VJUFSZMRNCPKQG-USYVTKNRSA-N 3 2 313.489 3.042 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424379336 434714671 /nfs/dbraw/zinc/71/46/71/434714671.db2.gz VJUFSZMRNCPKQG-USYVTKNRSA-N 3 2 313.489 3.042 20 0 DGADLP Cc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)nc(C(C)C)[nH+]1 ZINC000360881452 434718839 /nfs/dbraw/zinc/71/88/39/434718839.db2.gz ARLYDMZSOJXBOB-OAHLLOKOSA-N 2 2 313.449 3.101 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000360883688 434719134 /nfs/dbraw/zinc/71/91/34/434719134.db2.gz KVSNXZLSACQVBY-GXTWGEPZSA-N 2 2 323.362 3.438 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000354345901 434729373 /nfs/dbraw/zinc/72/93/73/434729373.db2.gz DWQQCYMQHBUPCU-IIAWOOMASA-N 2 2 318.461 3.022 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000354345901 434729378 /nfs/dbraw/zinc/72/93/78/434729378.db2.gz DWQQCYMQHBUPCU-IIAWOOMASA-N 2 2 318.461 3.022 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000354350368 434731702 /nfs/dbraw/zinc/73/17/02/434731702.db2.gz CPKSPGYXCDIGHU-GIOYIUAESA-N 2 2 324.509 3.351 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000354350368 434731708 /nfs/dbraw/zinc/73/17/08/434731708.db2.gz CPKSPGYXCDIGHU-GIOYIUAESA-N 2 2 324.509 3.351 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411165494 434734927 /nfs/dbraw/zinc/73/49/27/434734927.db2.gz PFPUJJORYSWCTO-UHFFFAOYSA-N 3 2 315.505 3.199 20 0 DGADLP COC(=O)C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411345393 434765890 /nfs/dbraw/zinc/76/58/90/434765890.db2.gz GZFYTAJGGLLCNR-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP COC(=O)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411345393 434765893 /nfs/dbraw/zinc/76/58/93/434765893.db2.gz GZFYTAJGGLLCNR-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411368586 434768491 /nfs/dbraw/zinc/76/84/91/434768491.db2.gz OHFMZUXNMQYNFM-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411368586 434768495 /nfs/dbraw/zinc/76/84/95/434768495.db2.gz OHFMZUXNMQYNFM-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP CCOc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000441075936 434760182 /nfs/dbraw/zinc/76/01/82/434760182.db2.gz CHTWRNZUKYVILL-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)CC[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000441075936 434760187 /nfs/dbraw/zinc/76/01/87/434760187.db2.gz CHTWRNZUKYVILL-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000441075936 434760191 /nfs/dbraw/zinc/76/01/91/434760191.db2.gz CHTWRNZUKYVILL-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000441075936 434760197 /nfs/dbraw/zinc/76/01/97/434760197.db2.gz CHTWRNZUKYVILL-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP OCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361072759 434789112 /nfs/dbraw/zinc/78/91/12/434789112.db2.gz JILHGSKQCHZJDA-UHFFFAOYSA-N 2 2 313.445 3.068 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453063614 434789379 /nfs/dbraw/zinc/78/93/79/434789379.db2.gz FAZPTDPYHUBNFL-NXHRZFHOSA-N 2 2 322.880 3.114 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453063614 434789381 /nfs/dbraw/zinc/78/93/81/434789381.db2.gz FAZPTDPYHUBNFL-NXHRZFHOSA-N 2 2 322.880 3.114 20 0 DGADLP Cn1c2c(cccc2F)[nH+]c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000443517675 434780521 /nfs/dbraw/zinc/78/05/21/434780521.db2.gz JKPLGFFZMKFZJS-CQSZACIVSA-N 2 2 316.424 3.167 20 0 DGADLP Cc1nc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000361063082 434782758 /nfs/dbraw/zinc/78/27/58/434782758.db2.gz YBOMMJUXTVSOPF-YJBOKZPZSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1nc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000361063082 434782760 /nfs/dbraw/zinc/78/27/60/434782760.db2.gz YBOMMJUXTVSOPF-YJBOKZPZSA-N 2 2 310.445 3.274 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000453101075 434801311 /nfs/dbraw/zinc/80/13/11/434801311.db2.gz YQVLTIJTCUEEEJ-MRXNPFEDSA-N 2 2 323.444 3.041 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccncn1)[N@@H+]1CCc2ccccc2C1 ZINC000453072804 434791533 /nfs/dbraw/zinc/79/15/33/434791533.db2.gz IIRPGALCSVTKQY-UZLBHIALSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccncn1)[N@H+]1CCc2ccccc2C1 ZINC000453072804 434791538 /nfs/dbraw/zinc/79/15/38/434791538.db2.gz IIRPGALCSVTKQY-UZLBHIALSA-N 2 2 324.472 3.210 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccncn2)cc1 ZINC000453125653 434810428 /nfs/dbraw/zinc/81/04/28/434810428.db2.gz JPOKWQYUURQDKM-ZIAGYGMSSA-N 2 2 307.401 3.383 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)Cc1cnccn1)c1ccccc1 ZINC000453133202 434810942 /nfs/dbraw/zinc/81/09/42/434810942.db2.gz YHZSRAZARYGVRB-JKSUJKDBSA-N 2 2 312.461 3.127 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000453130005 434811602 /nfs/dbraw/zinc/81/16/02/434811602.db2.gz OCSKLJULSWOOHE-IKGGRYGDSA-N 2 2 306.498 3.454 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOc2c(F)ccc(F)c21 ZINC000361188882 434825371 /nfs/dbraw/zinc/82/53/71/434825371.db2.gz UMYQBJXCEUHABT-FIXIBIHLSA-N 2 2 310.388 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOc2c(F)ccc(F)c21 ZINC000361188882 434825374 /nfs/dbraw/zinc/82/53/74/434825374.db2.gz UMYQBJXCEUHABT-FIXIBIHLSA-N 2 2 310.388 3.107 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000361190790 434827611 /nfs/dbraw/zinc/82/76/11/434827611.db2.gz QBKYXPIFAKCPEH-CQDKDKBSSA-N 2 2 310.388 3.108 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000361190790 434827612 /nfs/dbraw/zinc/82/76/12/434827612.db2.gz QBKYXPIFAKCPEH-CQDKDKBSSA-N 2 2 310.388 3.108 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000361221707 434833826 /nfs/dbraw/zinc/83/38/26/434833826.db2.gz UULPAGIWBQCTOD-IBGZPJMESA-N 2 2 316.489 3.461 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254403 434842111 /nfs/dbraw/zinc/84/21/11/434842111.db2.gz DQXXUSSZWOMWTL-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254403 434842114 /nfs/dbraw/zinc/84/21/14/434842114.db2.gz DQXXUSSZWOMWTL-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP CCCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453268639 434844752 /nfs/dbraw/zinc/84/47/52/434844752.db2.gz QLCFFQULBPSMAT-RBUKOAKNSA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453268639 434844756 /nfs/dbraw/zinc/84/47/56/434844756.db2.gz QLCFFQULBPSMAT-RBUKOAKNSA-N 2 2 304.478 3.354 20 0 DGADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000411980003 434851363 /nfs/dbraw/zinc/85/13/63/434851363.db2.gz FMFIKOFHBLENBR-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000411980003 434851365 /nfs/dbraw/zinc/85/13/65/434851365.db2.gz FMFIKOFHBLENBR-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP CS[C@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)C[C@H]1[NH+](C)C ZINC000460953845 434866883 /nfs/dbraw/zinc/86/68/83/434866883.db2.gz WAALEBWEWDJHDZ-SJORKVTESA-N 2 2 315.486 3.333 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1F ZINC000520989355 434867918 /nfs/dbraw/zinc/86/79/18/434867918.db2.gz XSXKTAFBFGJJET-UHFFFAOYSA-N 2 2 313.420 3.061 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]CC3Cc4ccccc4C3)c2)c[nH+]1 ZINC000573029073 434869229 /nfs/dbraw/zinc/86/92/29/434869229.db2.gz WOUPVUQSQXAHIC-UHFFFAOYSA-N 2 2 317.436 3.436 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000573054737 434869349 /nfs/dbraw/zinc/86/93/49/434869349.db2.gz BYYWIACVNTZAEZ-QAPCUYQASA-N 2 2 313.445 3.380 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000573054737 434869352 /nfs/dbraw/zinc/86/93/52/434869352.db2.gz BYYWIACVNTZAEZ-QAPCUYQASA-N 2 2 313.445 3.380 20 0 DGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)C1 ZINC000464056607 434976023 /nfs/dbraw/zinc/97/60/23/434976023.db2.gz LCWQNBPUECFLQA-XWTMOSNGSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)C1 ZINC000464056607 434976027 /nfs/dbraw/zinc/97/60/27/434976027.db2.gz LCWQNBPUECFLQA-XWTMOSNGSA-N 2 2 306.494 3.188 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000638104503 434952584 /nfs/dbraw/zinc/95/25/84/434952584.db2.gz IKSFNYGFRCBEMR-OAHLLOKOSA-N 2 2 309.404 3.470 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000638104503 434952589 /nfs/dbraw/zinc/95/25/89/434952589.db2.gz IKSFNYGFRCBEMR-OAHLLOKOSA-N 2 2 309.404 3.470 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109808 434954704 /nfs/dbraw/zinc/95/47/04/434954704.db2.gz HKFMWIWHHUDYHN-LSDHHAIUSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109808 434954709 /nfs/dbraw/zinc/95/47/09/434954709.db2.gz HKFMWIWHHUDYHN-LSDHHAIUSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109808 434954715 /nfs/dbraw/zinc/95/47/15/434954715.db2.gz HKFMWIWHHUDYHN-LSDHHAIUSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cccc2OC)C[C@@H]1C ZINC000638109808 434954720 /nfs/dbraw/zinc/95/47/20/434954720.db2.gz HKFMWIWHHUDYHN-LSDHHAIUSA-N 2 2 306.450 3.008 20 0 DGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000638121345 434957329 /nfs/dbraw/zinc/95/73/29/434957329.db2.gz IDSLYASXOYXHKZ-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000638121345 434957335 /nfs/dbraw/zinc/95/73/35/434957335.db2.gz IDSLYASXOYXHKZ-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128591 434959616 /nfs/dbraw/zinc/95/96/16/434959616.db2.gz UTYROTJOCOIISI-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128591 434959618 /nfs/dbraw/zinc/95/96/18/434959618.db2.gz UTYROTJOCOIISI-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128591 434959621 /nfs/dbraw/zinc/95/96/21/434959621.db2.gz UTYROTJOCOIISI-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128591 434959625 /nfs/dbraw/zinc/95/96/25/434959625.db2.gz UTYROTJOCOIISI-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(Cl)c1OC ZINC000574216763 434960668 /nfs/dbraw/zinc/96/06/68/434960668.db2.gz FVFPKIGEVPAEHD-WCQYABFASA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(Cl)c1OC ZINC000574216763 434960673 /nfs/dbraw/zinc/96/06/73/434960673.db2.gz FVFPKIGEVPAEHD-WCQYABFASA-N 2 2 312.841 3.059 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc3ccccc3n2C)C[C@H]1n1cc[nH+]c1 ZINC000638171952 434970725 /nfs/dbraw/zinc/97/07/25/434970725.db2.gz MRDVSMHYUZUAFH-HNAYVOBHSA-N 2 2 308.429 3.458 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C[C@H]1n1cc[nH+]c1 ZINC000638171952 434970730 /nfs/dbraw/zinc/97/07/30/434970730.db2.gz MRDVSMHYUZUAFH-HNAYVOBHSA-N 2 2 308.429 3.458 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C[C@H]1n1cc[nH+]c1 ZINC000638172002 434971476 /nfs/dbraw/zinc/97/14/76/434971476.db2.gz MZLRCZFFYAAQGS-SWLSCSKDSA-N 2 2 306.360 3.299 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C[C@H]1n1cc[nH+]c1 ZINC000638172002 434971480 /nfs/dbraw/zinc/97/14/80/434971480.db2.gz MZLRCZFFYAAQGS-SWLSCSKDSA-N 2 2 306.360 3.299 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183076 434972756 /nfs/dbraw/zinc/97/27/56/434972756.db2.gz SRQQMCBMBDRQLL-RHSMWYFYSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183076 434972762 /nfs/dbraw/zinc/97/27/62/434972762.db2.gz SRQQMCBMBDRQLL-RHSMWYFYSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000638183076 434972766 /nfs/dbraw/zinc/97/27/66/434972766.db2.gz SRQQMCBMBDRQLL-RHSMWYFYSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000638183076 434972772 /nfs/dbraw/zinc/97/27/72/434972772.db2.gz SRQQMCBMBDRQLL-RHSMWYFYSA-N 2 2 321.415 3.468 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555512009 434975169 /nfs/dbraw/zinc/97/51/69/434975169.db2.gz QUPONFBRYVWBSF-ZWKOTPCHSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555512009 434975173 /nfs/dbraw/zinc/97/51/73/434975173.db2.gz QUPONFBRYVWBSF-ZWKOTPCHSA-N 2 2 308.510 3.247 20 0 DGADLP CC(C)C1(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC000637983197 434923025 /nfs/dbraw/zinc/92/30/25/434923025.db2.gz MCVSKCNWNPVJCM-UHFFFAOYSA-N 2 2 315.505 3.457 20 0 DGADLP CC(C)C1(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC000637983197 434923028 /nfs/dbraw/zinc/92/30/28/434923028.db2.gz MCVSKCNWNPVJCM-UHFFFAOYSA-N 2 2 315.505 3.457 20 0 DGADLP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)cc1O ZINC000638424090 435029526 /nfs/dbraw/zinc/02/95/26/435029526.db2.gz GBKUOMDPRZTAOA-UHFFFAOYSA-N 2 2 324.852 3.161 20 0 DGADLP c1cnn(C2CC([NH2+]CC3([NH+]4CCCCC4)CCCCC3)C2)c1 ZINC000638280693 434996326 /nfs/dbraw/zinc/99/63/26/434996326.db2.gz DCGNYWOWJMSIFX-UHFFFAOYSA-N 2 2 316.493 3.365 20 0 DGADLP COCC1(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000638287466 434998363 /nfs/dbraw/zinc/99/83/63/434998363.db2.gz UUXPWDUHOQYGMX-HNNXBMFYSA-N 2 2 308.491 3.291 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CCC1CCOCC1 ZINC000638297503 434999367 /nfs/dbraw/zinc/99/93/67/434999367.db2.gz DXEWDYZHWFKJJN-UHFFFAOYSA-N 2 2 301.434 3.141 20 0 DGADLP CC1=CC[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CC1 ZINC000556253599 435002046 /nfs/dbraw/zinc/00/20/46/435002046.db2.gz LPYAQGQYXFKJTR-RDJZCZTQSA-N 2 2 300.450 3.133 20 0 DGADLP CCC(CC)[C@@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCC1 ZINC000638349964 435010715 /nfs/dbraw/zinc/01/07/15/435010715.db2.gz XKYGGLQFFYGUMU-DAWZGUTISA-N 2 2 304.482 3.077 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000578494425 435087103 /nfs/dbraw/zinc/08/71/03/435087103.db2.gz SCJJGSDXPQNZPB-RXQRSOPUSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000578494425 435087109 /nfs/dbraw/zinc/08/71/09/435087109.db2.gz SCJJGSDXPQNZPB-RXQRSOPUSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCCCCC1 ZINC000530813858 435052693 /nfs/dbraw/zinc/05/26/93/435052693.db2.gz VNBSWAKYOGXAIO-AWEZNQCLSA-N 2 2 312.417 3.280 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564048 435053281 /nfs/dbraw/zinc/05/32/81/435053281.db2.gz GJZFVZHSIYOVKH-YOEHRIQHSA-N 2 2 313.420 3.333 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564048 435053282 /nfs/dbraw/zinc/05/32/82/435053282.db2.gz GJZFVZHSIYOVKH-YOEHRIQHSA-N 2 2 313.420 3.333 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000638564639 435053638 /nfs/dbraw/zinc/05/36/38/435053638.db2.gz MARWFLOGLAAEHQ-MEWCUZTCSA-N 2 2 302.462 3.227 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000638564639 435053642 /nfs/dbraw/zinc/05/36/42/435053642.db2.gz MARWFLOGLAAEHQ-MEWCUZTCSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000532197199 435146599 /nfs/dbraw/zinc/14/65/99/435146599.db2.gz AIJPZYYGWZXFJH-ZNMIVQPWSA-N 2 2 310.869 3.490 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000532197199 435146603 /nfs/dbraw/zinc/14/66/03/435146603.db2.gz AIJPZYYGWZXFJH-ZNMIVQPWSA-N 2 2 310.869 3.490 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532198236 435147142 /nfs/dbraw/zinc/14/71/42/435147142.db2.gz GUSUTHLNFDWMAN-IXDOHACOSA-N 2 2 320.477 3.154 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532198236 435147147 /nfs/dbraw/zinc/14/71/47/435147147.db2.gz GUSUTHLNFDWMAN-IXDOHACOSA-N 2 2 320.477 3.154 20 0 DGADLP CCOC1CC(C[NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000639090123 435150744 /nfs/dbraw/zinc/15/07/44/435150744.db2.gz GEKZWHDGQIRVFQ-JIZBTBOESA-N 2 2 304.478 3.391 20 0 DGADLP CO[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737525 435110552 /nfs/dbraw/zinc/11/05/52/435110552.db2.gz CQGVRHSEEPBCHJ-JRGCBEDISA-N 2 2 324.468 3.279 20 0 DGADLP CO[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737525 435110554 /nfs/dbraw/zinc/11/05/54/435110554.db2.gz CQGVRHSEEPBCHJ-JRGCBEDISA-N 2 2 324.468 3.279 20 0 DGADLP CC[NH+](CC)[C@H](CNCc1cn2cc(C)ccc2[nH+]1)CC(C)C ZINC000578891110 435117636 /nfs/dbraw/zinc/11/76/36/435117636.db2.gz IMLNWYLDLOURCS-SFHVURJKSA-N 2 2 316.493 3.489 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]CC[C@H]2CCOC2)c[nH+]1 ZINC000579041234 435126972 /nfs/dbraw/zinc/12/69/72/435126972.db2.gz IZPNJQCNLFCOHG-SNRMKQJTSA-N 2 2 311.429 3.128 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085716 435129771 /nfs/dbraw/zinc/12/97/71/435129771.db2.gz QIYBYOMRKQXWDN-HOJAQTOUSA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085716 435129775 /nfs/dbraw/zinc/12/97/75/435129775.db2.gz QIYBYOMRKQXWDN-HOJAQTOUSA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085716 435129780 /nfs/dbraw/zinc/12/97/80/435129780.db2.gz QIYBYOMRKQXWDN-HOJAQTOUSA-N 3 2 321.553 3.351 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000469085716 435129782 /nfs/dbraw/zinc/12/97/82/435129782.db2.gz QIYBYOMRKQXWDN-HOJAQTOUSA-N 3 2 321.553 3.351 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469854349 435132489 /nfs/dbraw/zinc/13/24/89/435132489.db2.gz SABXNHVLTHSWDC-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469854349 435132491 /nfs/dbraw/zinc/13/24/91/435132491.db2.gz SABXNHVLTHSWDC-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983750 435132833 /nfs/dbraw/zinc/13/28/33/435132833.db2.gz JYMIOZGCXDBXOP-ZBFHGGJFSA-N 2 2 306.450 3.086 20 0 DGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983750 435132835 /nfs/dbraw/zinc/13/28/35/435132835.db2.gz JYMIOZGCXDBXOP-ZBFHGGJFSA-N 2 2 306.450 3.086 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128596 435134237 /nfs/dbraw/zinc/13/42/37/435134237.db2.gz BUZXQXUOZYIDCY-SUNKGSAMSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128596 435134239 /nfs/dbraw/zinc/13/42/39/435134239.db2.gz BUZXQXUOZYIDCY-SUNKGSAMSA-N 2 2 324.266 3.120 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532228804 435150456 /nfs/dbraw/zinc/15/04/56/435150456.db2.gz CULWXDWXNQZTDS-SLTAFYQDSA-N 2 2 322.415 3.077 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532228804 435150460 /nfs/dbraw/zinc/15/04/60/435150460.db2.gz CULWXDWXNQZTDS-SLTAFYQDSA-N 2 2 322.415 3.077 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)ccn1 ZINC000559914636 435143171 /nfs/dbraw/zinc/14/31/71/435143171.db2.gz GPOHAUZIUMSVMJ-ZDUSSCGKSA-N 2 2 310.401 3.099 20 0 DGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)Cc3cnccn3)cc2)c1C ZINC000639198182 435195868 /nfs/dbraw/zinc/19/58/68/435195868.db2.gz OJTAFDBOADUDGX-ZDUSSCGKSA-N 2 2 307.401 3.322 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CCC[C@@H]2CCO2)CCC1 ZINC000639226609 435204739 /nfs/dbraw/zinc/20/47/39/435204739.db2.gz HBFUJCKHUVKGFN-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CCC[C@@H]2CCO2)CCC1 ZINC000639226609 435204742 /nfs/dbraw/zinc/20/47/42/435204742.db2.gz HBFUJCKHUVKGFN-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000639103688 435156436 /nfs/dbraw/zinc/15/64/36/435156436.db2.gz MCZCTWAVVNSEFV-HNNXBMFYSA-N 2 2 319.399 3.429 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000639103688 435156441 /nfs/dbraw/zinc/15/64/41/435156441.db2.gz MCZCTWAVVNSEFV-HNNXBMFYSA-N 2 2 319.399 3.429 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)ccc2n1C ZINC000532309130 435157583 /nfs/dbraw/zinc/15/75/83/435157583.db2.gz BWBQPRXHEQPGBX-UPJWGTAASA-N 2 2 314.433 3.082 20 0 DGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cs1 ZINC000579488855 435160655 /nfs/dbraw/zinc/16/06/55/435160655.db2.gz UXDVASXXVAABJX-CHWSQXEVSA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cs1 ZINC000579488855 435160660 /nfs/dbraw/zinc/16/06/60/435160660.db2.gz UXDVASXXVAABJX-CHWSQXEVSA-N 2 2 317.458 3.130 20 0 DGADLP c1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)onc1C1CC1 ZINC000639118657 435161311 /nfs/dbraw/zinc/16/13/11/435161311.db2.gz PJYKHVFYHAQBTF-MRXNPFEDSA-N 2 2 311.429 3.164 20 0 DGADLP c1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)onc1C1CC1 ZINC000639118657 435161315 /nfs/dbraw/zinc/16/13/15/435161315.db2.gz PJYKHVFYHAQBTF-MRXNPFEDSA-N 2 2 311.429 3.164 20 0 DGADLP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000474815807 435162963 /nfs/dbraw/zinc/16/29/63/435162963.db2.gz GVXHKUANIVNQLY-BZUAXINKSA-N 2 2 324.896 3.390 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000474823972 435162982 /nfs/dbraw/zinc/16/29/82/435162982.db2.gz XLFPGQFORCKLME-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000474823972 435162986 /nfs/dbraw/zinc/16/29/86/435162986.db2.gz XLFPGQFORCKLME-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP C[NH+](C)Cc1cc(NCc2c[nH]c3nc[nH+]cc23)ccc1Cl ZINC000639133859 435167834 /nfs/dbraw/zinc/16/78/34/435167834.db2.gz AEFWFRPJKQMHBJ-UHFFFAOYSA-N 2 2 315.808 3.237 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cnn(Cc2ccccc2)c1 ZINC000532477042 435170687 /nfs/dbraw/zinc/17/06/87/435170687.db2.gz JWGGINLJBZTQRV-KRWDZBQOSA-N 2 2 323.444 3.259 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H](OC)C3CC3)ccc2n1C1CC1 ZINC000639141982 435173348 /nfs/dbraw/zinc/17/33/48/435173348.db2.gz LVTALUGXPTXBPY-GOSISDBHSA-N 2 2 313.445 3.448 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccccc2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000560502781 435174241 /nfs/dbraw/zinc/17/42/41/435174241.db2.gz OOCWLXLHWLTPQW-DFNIBXOVSA-N 2 2 322.456 3.201 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccccc2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000560502781 435174247 /nfs/dbraw/zinc/17/42/47/435174247.db2.gz OOCWLXLHWLTPQW-DFNIBXOVSA-N 2 2 322.456 3.201 20 0 DGADLP C[NH+](Cc1cnc(-c2ccccc2)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000560502781 435174251 /nfs/dbraw/zinc/17/42/51/435174251.db2.gz OOCWLXLHWLTPQW-DFNIBXOVSA-N 2 2 322.456 3.201 20 0 DGADLP C[NH+](Cc1cnc(-c2ccccc2)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000560502781 435174256 /nfs/dbraw/zinc/17/42/56/435174256.db2.gz OOCWLXLHWLTPQW-DFNIBXOVSA-N 2 2 322.456 3.201 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000560523870 435174864 /nfs/dbraw/zinc/17/48/64/435174864.db2.gz GYQTVOSEVDTBBY-UHFFFAOYSA-N 2 2 315.461 3.429 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000560523870 435174868 /nfs/dbraw/zinc/17/48/68/435174868.db2.gz GYQTVOSEVDTBBY-UHFFFAOYSA-N 2 2 315.461 3.429 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCc3c2cccc3Cl)CCSC1 ZINC000532549604 435176138 /nfs/dbraw/zinc/17/61/38/435176138.db2.gz CDFFGYSGVCZCCX-JKSUJKDBSA-N 2 2 310.894 3.354 20 0 DGADLP CO[C@](C)(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154651 435177511 /nfs/dbraw/zinc/17/75/11/435177511.db2.gz MSFMJNNRUXTMFC-DNVCBOLYSA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@](C)(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154651 435177512 /nfs/dbraw/zinc/17/75/12/435177512.db2.gz MSFMJNNRUXTMFC-DNVCBOLYSA-N 2 2 317.477 3.214 20 0 DGADLP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000580269470 435216096 /nfs/dbraw/zinc/21/60/96/435216096.db2.gz YIYZPQXSMJUJID-OAHLLOKOSA-N 2 2 315.486 3.328 20 0 DGADLP CCn1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1C ZINC000580421319 435233420 /nfs/dbraw/zinc/23/34/20/435233420.db2.gz IHHJANMAFKPZLH-PKOBYXMFSA-N 2 2 312.461 3.103 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC(C)([NH+]4CCCC4)CC3)n2c1 ZINC000639374738 435270958 /nfs/dbraw/zinc/27/09/58/435270958.db2.gz KDOIHYMZYVFJOO-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000639379856 435276607 /nfs/dbraw/zinc/27/66/07/435276607.db2.gz RZKRSTNPPJXTLS-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000584207218 435284231 /nfs/dbraw/zinc/28/42/31/435284231.db2.gz ZVRZIJHIYVJUNG-LBPRGKRZSA-N 2 2 314.271 3.225 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000584207218 435284237 /nfs/dbraw/zinc/28/42/37/435284237.db2.gz ZVRZIJHIYVJUNG-LBPRGKRZSA-N 2 2 314.271 3.225 20 0 DGADLP CCCOc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000639395513 435285400 /nfs/dbraw/zinc/28/54/00/435285400.db2.gz AZWZCYGMJHQBIR-QGZVFWFLSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000639395513 435285407 /nfs/dbraw/zinc/28/54/07/435285407.db2.gz AZWZCYGMJHQBIR-QGZVFWFLSA-N 2 2 318.461 3.010 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534572702 435295015 /nfs/dbraw/zinc/29/50/15/435295015.db2.gz OQXIGWSNEGNKQD-OLZOCXBDSA-N 2 2 302.422 3.256 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534572702 435295019 /nfs/dbraw/zinc/29/50/19/435295019.db2.gz OQXIGWSNEGNKQD-OLZOCXBDSA-N 2 2 302.422 3.256 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648441982 435300681 /nfs/dbraw/zinc/30/06/81/435300681.db2.gz ZWBRQOMRGSHEGB-CABCVRRESA-N 2 2 301.434 3.146 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648441983 435301333 /nfs/dbraw/zinc/30/13/33/435301333.db2.gz ZWBRQOMRGSHEGB-GJZGRUSLSA-N 2 2 301.434 3.146 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000643025398 435261480 /nfs/dbraw/zinc/26/14/80/435261480.db2.gz KXIIBAZRTYCJKB-CWRNSKLLSA-N 2 2 311.429 3.115 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C[C@H](C)O1 ZINC000648499151 435321015 /nfs/dbraw/zinc/32/10/15/435321015.db2.gz FQOQBXZSYSDKRC-FICVDOATSA-N 2 2 301.434 3.052 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](Cn2cccn2)c2ccccc2)c2ccccc21 ZINC000643457316 435328347 /nfs/dbraw/zinc/32/83/47/435328347.db2.gz WZRLBTZYAOPPMF-HSALFYBXSA-N 2 2 318.424 3.359 20 0 DGADLP C[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)c2[nH+]ccn21 ZINC000567604323 435333177 /nfs/dbraw/zinc/33/31/77/435333177.db2.gz RAAOICZUGHRJQZ-BVGQSLNGSA-N 2 2 306.413 3.332 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])CCO2 ZINC000643482467 435335186 /nfs/dbraw/zinc/33/51/86/435335186.db2.gz PIZHANQSEAEOHG-ZACQAIPSSA-N 2 2 304.434 3.159 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544140 435337713 /nfs/dbraw/zinc/33/77/13/435337713.db2.gz UTAVATXULXETDF-FXAWDEMLSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544140 435337717 /nfs/dbraw/zinc/33/77/17/435337717.db2.gz UTAVATXULXETDF-FXAWDEMLSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000639544140 435337721 /nfs/dbraw/zinc/33/77/21/435337721.db2.gz UTAVATXULXETDF-FXAWDEMLSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000639544140 435337727 /nfs/dbraw/zinc/33/77/27/435337727.db2.gz UTAVATXULXETDF-FXAWDEMLSA-N 2 2 313.489 3.456 20 0 DGADLP Brc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501218 435337725 /nfs/dbraw/zinc/33/77/25/435337725.db2.gz AJJHXGDKFVXJQR-ABAIWWIYSA-N 2 2 309.251 3.168 20 0 DGADLP c1ccc([C@@H](CC2CC2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000567639091 435337718 /nfs/dbraw/zinc/33/77/18/435337718.db2.gz TXBDOUXCGKGAKD-LJQANCHMSA-N 2 2 322.456 3.445 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)cs1 ZINC000643502887 435338336 /nfs/dbraw/zinc/33/83/36/435338336.db2.gz UOENPPILXMTBAC-KOLCDFICSA-N 2 2 303.269 3.303 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc2)c1 ZINC000643506984 435339913 /nfs/dbraw/zinc/33/99/13/435339913.db2.gz OPXIFNXOGLGHHV-HXUWFJFHSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CC[NH2+]C2CC2)sc1Br ZINC000643507487 435340164 /nfs/dbraw/zinc/34/01/64/435340164.db2.gz GDWFSPMNFIKRMX-VIFPVBQESA-N 2 2 303.269 3.222 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600399 435341992 /nfs/dbraw/zinc/34/19/92/435341992.db2.gz LVAQPIPCXMSGPL-UMVBOHGHSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600399 435341997 /nfs/dbraw/zinc/34/19/97/435341997.db2.gz LVAQPIPCXMSGPL-UMVBOHGHSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000643529730 435344673 /nfs/dbraw/zinc/34/46/73/435344673.db2.gz QPIYEBSTIVKKDJ-MLGOLLRUSA-N 2 2 319.246 3.475 20 0 DGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCCO2 ZINC000643538131 435345630 /nfs/dbraw/zinc/34/56/30/435345630.db2.gz ZNXUWULKNPRWON-HUBLWGQQSA-N 2 2 312.816 3.152 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCO[C@@H]1C ZINC000639569113 435348913 /nfs/dbraw/zinc/34/89/13/435348913.db2.gz ROEPRGIKHKFLAU-OIISXLGYSA-N 2 2 313.445 3.234 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCO[C@@H]1C ZINC000639569113 435348916 /nfs/dbraw/zinc/34/89/16/435348916.db2.gz ROEPRGIKHKFLAU-OIISXLGYSA-N 2 2 313.445 3.234 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538641 435349529 /nfs/dbraw/zinc/34/95/29/435349529.db2.gz QKRSTHYFJOQZNZ-DCGLDWPTSA-N 2 2 301.409 3.143 20 0 DGADLP CCc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000479776163 435352740 /nfs/dbraw/zinc/35/27/40/435352740.db2.gz MUVYZKGBUYKXFW-IYBDPMFKSA-N 2 2 313.470 3.024 20 0 DGADLP CCc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000479776163 435352746 /nfs/dbraw/zinc/35/27/46/435352746.db2.gz MUVYZKGBUYKXFW-IYBDPMFKSA-N 2 2 313.470 3.024 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@H](C(C)(C)C)C3)c[nH+]c12 ZINC000480002233 435361019 /nfs/dbraw/zinc/36/10/19/435361019.db2.gz PQACBDZZTMGPRY-HOCLYGCPSA-N 2 2 301.434 3.326 20 0 DGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000648738553 435403826 /nfs/dbraw/zinc/40/38/26/435403826.db2.gz ZKMOHGKENNJCBD-CQSZACIVSA-N 2 2 323.400 3.221 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000568275485 435418680 /nfs/dbraw/zinc/41/86/80/435418680.db2.gz YAWDOUHQJHWJPO-LBPRGKRZSA-N 2 2 305.422 3.120 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000568275485 435418683 /nfs/dbraw/zinc/41/86/83/435418683.db2.gz YAWDOUHQJHWJPO-LBPRGKRZSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000537015587 435421545 /nfs/dbraw/zinc/42/15/45/435421545.db2.gz FGPGVIXDQAOIMU-MLGOLLRUSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000537015587 435421551 /nfs/dbraw/zinc/42/15/51/435421551.db2.gz FGPGVIXDQAOIMU-MLGOLLRUSA-N 2 2 323.278 3.368 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015634 435422543 /nfs/dbraw/zinc/42/25/43/435422543.db2.gz GZSYLOVZUSTEMC-CXAGYDPISA-N 2 2 317.433 3.162 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015634 435422548 /nfs/dbraw/zinc/42/25/48/435422548.db2.gz GZSYLOVZUSTEMC-CXAGYDPISA-N 2 2 317.433 3.162 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067723 435369955 /nfs/dbraw/zinc/36/99/55/435369955.db2.gz XHFLIGIIBTWVAV-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000536067723 435369961 /nfs/dbraw/zinc/36/99/61/435369961.db2.gz XHFLIGIIBTWVAV-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000480268800 435373559 /nfs/dbraw/zinc/37/35/59/435373559.db2.gz UYVDEAFHDATEHB-ZNMIVQPWSA-N 2 2 310.507 3.460 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000480268800 435373565 /nfs/dbraw/zinc/37/35/65/435373565.db2.gz UYVDEAFHDATEHB-ZNMIVQPWSA-N 2 2 310.507 3.460 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(F)c1 ZINC000568030342 435381191 /nfs/dbraw/zinc/38/11/91/435381191.db2.gz RNYUOIVKZVUWOU-CQSZACIVSA-N 2 2 303.381 3.006 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662167 435387757 /nfs/dbraw/zinc/38/77/57/435387757.db2.gz JTDDMPJOWJZEHN-ZFWWWQNUSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662167 435387762 /nfs/dbraw/zinc/38/77/62/435387762.db2.gz JTDDMPJOWJZEHN-ZFWWWQNUSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000639674915 435389106 /nfs/dbraw/zinc/38/91/06/435389106.db2.gz DGJKKTPATAJLFP-GOEBONIOSA-N 2 2 313.445 3.242 20 0 DGADLP c1cn(CC[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c[nH+]1 ZINC000536573620 435390543 /nfs/dbraw/zinc/39/05/43/435390543.db2.gz HHBRHBGFWYCPMM-AWEZNQCLSA-N 2 2 312.442 3.372 20 0 DGADLP c1cn(CC[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c[nH+]1 ZINC000536573620 435390547 /nfs/dbraw/zinc/39/05/47/435390547.db2.gz HHBRHBGFWYCPMM-AWEZNQCLSA-N 2 2 312.442 3.372 20 0 DGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000648718457 435396416 /nfs/dbraw/zinc/39/64/16/435396416.db2.gz KQOGPIUIENCZJB-CYBMUJFWSA-N 2 2 323.400 3.425 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000513678067 435396842 /nfs/dbraw/zinc/39/68/42/435396842.db2.gz HSNZDTWLTTWUCT-SNUQEOBHSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000513678067 435396847 /nfs/dbraw/zinc/39/68/47/435396847.db2.gz HSNZDTWLTTWUCT-SNUQEOBHSA-N 2 2 308.416 3.358 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169801 435397623 /nfs/dbraw/zinc/39/76/23/435397623.db2.gz UKOOWUBFPMIYCS-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169801 435397627 /nfs/dbraw/zinc/39/76/27/435397627.db2.gz UKOOWUBFPMIYCS-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169801 435397635 /nfs/dbraw/zinc/39/76/35/435397635.db2.gz UKOOWUBFPMIYCS-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169801 435397641 /nfs/dbraw/zinc/39/76/41/435397641.db2.gz UKOOWUBFPMIYCS-IUODEOHRSA-N 2 2 318.383 3.011 20 0 DGADLP C[N@H+](Cc1ccc(O)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000648872475 435445822 /nfs/dbraw/zinc/44/58/22/435445822.db2.gz VKRYAYTWVWCPTG-UHFFFAOYSA-N 2 2 316.367 3.241 20 0 DGADLP C[N@@H+](Cc1ccc(O)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000648872475 435445826 /nfs/dbraw/zinc/44/58/26/435445826.db2.gz VKRYAYTWVWCPTG-UHFFFAOYSA-N 2 2 316.367 3.241 20 0 DGADLP OC[C@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000639903547 435452872 /nfs/dbraw/zinc/45/28/72/435452872.db2.gz PNMNYUGFQQJQHY-HXUWFJFHSA-N 2 2 321.424 3.119 20 0 DGADLP OC[C@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000639903547 435452875 /nfs/dbraw/zinc/45/28/75/435452875.db2.gz PNMNYUGFQQJQHY-HXUWFJFHSA-N 2 2 321.424 3.119 20 0 DGADLP C[N@H+](CC[NH2+]CCCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000482235743 435458275 /nfs/dbraw/zinc/45/82/75/435458275.db2.gz SDYXHIIEDMRRES-UHFFFAOYSA-N 2 2 324.468 3.276 20 0 DGADLP C[N@@H+](CC[NH2+]CCCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000482235743 435458282 /nfs/dbraw/zinc/45/82/82/435458282.db2.gz SDYXHIIEDMRRES-UHFFFAOYSA-N 2 2 324.468 3.276 20 0 DGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000648926438 435458387 /nfs/dbraw/zinc/45/83/87/435458387.db2.gz VZTFXRHHXYCXHF-INIZCTEOSA-N 2 2 312.417 3.070 20 0 DGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000648926438 435458391 /nfs/dbraw/zinc/45/83/91/435458391.db2.gz VZTFXRHHXYCXHF-INIZCTEOSA-N 2 2 312.417 3.070 20 0 DGADLP Cc1nc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)o1 ZINC000537887561 435473728 /nfs/dbraw/zinc/47/37/28/435473728.db2.gz XHMWPXMOYOJCOA-ZDUSSCGKSA-N 2 2 310.401 3.370 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000482948509 435488614 /nfs/dbraw/zinc/48/86/14/435488614.db2.gz PKMQKLOPNZQMCQ-SOLBZPMBSA-N 3 2 303.494 3.046 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000482948509 435488616 /nfs/dbraw/zinc/48/86/16/435488616.db2.gz PKMQKLOPNZQMCQ-SOLBZPMBSA-N 3 2 303.494 3.046 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000568979252 435488981 /nfs/dbraw/zinc/48/89/81/435488981.db2.gz BAOIGOGCCSQDNY-INIZCTEOSA-N 2 2 304.459 3.343 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000515500152 435489219 /nfs/dbraw/zinc/48/92/19/435489219.db2.gz QFNWDCDEHCMEHR-HOTGVXAUSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000515500152 435489221 /nfs/dbraw/zinc/48/92/21/435489221.db2.gz QFNWDCDEHCMEHR-HOTGVXAUSA-N 2 2 312.461 3.346 20 0 DGADLP CCC1([NH+](C)C)CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000640014922 435490488 /nfs/dbraw/zinc/49/04/88/435490488.db2.gz AJFLBBWOHGNQTL-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000484518674 435546785 /nfs/dbraw/zinc/54/67/85/435546785.db2.gz OCPJITWCYOTKGP-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000484518674 435546789 /nfs/dbraw/zinc/54/67/89/435546789.db2.gz OCPJITWCYOTKGP-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP Cc1c[nH+]c(C)nc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000516783697 435550833 /nfs/dbraw/zinc/55/08/33/435550833.db2.gz FGZKSFXSJDLEJR-UHFFFAOYSA-N 2 2 314.408 3.309 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792705 435560788 /nfs/dbraw/zinc/56/07/88/435560788.db2.gz KIUMTHICYCZROA-SJCJKPOMSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792705 435560793 /nfs/dbraw/zinc/56/07/93/435560793.db2.gz KIUMTHICYCZROA-SJCJKPOMSA-N 2 2 310.844 3.484 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000569817087 435562823 /nfs/dbraw/zinc/56/28/23/435562823.db2.gz TXGMUKDWEQOIGN-NSHDSACASA-N 2 2 309.866 3.409 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000422706044 298876007 /nfs/dbraw/zinc/87/60/07/298876007.db2.gz SRYQDYKVKOTTGX-SJORKVTESA-N 3 2 304.482 3.174 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H](c3ccsc3)[NH+](C)C)c2c1C ZINC000645116850 435569624 /nfs/dbraw/zinc/56/96/24/435569624.db2.gz WOIAAHYJJZKSFQ-CYBMUJFWSA-N 2 2 315.446 3.351 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000517145669 435577884 /nfs/dbraw/zinc/57/78/84/435577884.db2.gz PSJIADXHDHIIES-ZYHUDNBSSA-N 2 2 315.244 3.043 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000517145669 435577887 /nfs/dbraw/zinc/57/78/87/435577887.db2.gz PSJIADXHDHIIES-ZYHUDNBSSA-N 2 2 315.244 3.043 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N3CCCC[C@@H]3c3c[nH+]cn3C)c2c1C ZINC000645148061 435578725 /nfs/dbraw/zinc/57/87/25/435578725.db2.gz RBFKPGUXKLFLBI-CYBMUJFWSA-N 2 2 310.405 3.040 20 0 DGADLP c1nc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898669 435579674 /nfs/dbraw/zinc/57/96/74/435579674.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898669 435579679 /nfs/dbraw/zinc/57/96/79/435579679.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898669 435579684 /nfs/dbraw/zinc/57/96/84/435579684.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898669 435579689 /nfs/dbraw/zinc/57/96/89/435579689.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898669 435579695 /nfs/dbraw/zinc/57/96/95/435579695.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898669 435579700 /nfs/dbraw/zinc/57/97/00/435579700.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898669 435579703 /nfs/dbraw/zinc/57/97/03/435579703.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898669 435579708 /nfs/dbraw/zinc/57/97/08/435579708.db2.gz BLYQQEYDOVUZTH-BEFAXECRSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1n1cc[nH+]c1 ZINC000539928376 435580854 /nfs/dbraw/zinc/58/08/54/435580854.db2.gz YOHSXODRVMVZRN-SWLSCSKDSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1n1cc[nH+]c1 ZINC000539928376 435580857 /nfs/dbraw/zinc/58/08/57/435580857.db2.gz YOHSXODRVMVZRN-SWLSCSKDSA-N 2 2 302.447 3.300 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000649419800 435582925 /nfs/dbraw/zinc/58/29/25/435582925.db2.gz MZNQHJPXAKASPA-IBGZPJMESA-N 2 2 311.429 3.226 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000649419800 435582930 /nfs/dbraw/zinc/58/29/30/435582930.db2.gz MZNQHJPXAKASPA-IBGZPJMESA-N 2 2 311.429 3.226 20 0 DGADLP FC1(F)CCC([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000540157242 435590262 /nfs/dbraw/zinc/59/02/62/435590262.db2.gz YPNMTISIHLWGHK-QGZVFWFLSA-N 2 2 308.416 3.471 20 0 DGADLP FC1(F)CCC([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000540157242 435590268 /nfs/dbraw/zinc/59/02/68/435590268.db2.gz YPNMTISIHLWGHK-QGZVFWFLSA-N 2 2 308.416 3.471 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c2c1C ZINC000645202395 435591647 /nfs/dbraw/zinc/59/16/47/435591647.db2.gz SHHBPTHDUTZPND-WBVHZDCISA-N 2 2 321.428 3.432 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)c2c1C ZINC000645202395 435591653 /nfs/dbraw/zinc/59/16/53/435591653.db2.gz SHHBPTHDUTZPND-WBVHZDCISA-N 2 2 321.428 3.432 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](Cc2ccccc2OC)C(C)C)[C@@H](C)C1 ZINC000484474283 435545861 /nfs/dbraw/zinc/54/58/61/435545861.db2.gz PESMIPWJZCHELB-SZMVWBNQSA-N 2 2 304.478 3.192 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](Cc2ccccc2OC)C(C)C)[C@@H](C)C1 ZINC000484474283 435545867 /nfs/dbraw/zinc/54/58/67/435545867.db2.gz PESMIPWJZCHELB-SZMVWBNQSA-N 2 2 304.478 3.192 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592181 435608749 /nfs/dbraw/zinc/60/87/49/435608749.db2.gz UJEFHMHXPOUDDT-RYQLBKOJSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592181 435608753 /nfs/dbraw/zinc/60/87/53/435608753.db2.gz UJEFHMHXPOUDDT-RYQLBKOJSA-N 2 2 306.494 3.331 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000486812110 435614868 /nfs/dbraw/zinc/61/48/68/435614868.db2.gz OEQHUAOJGRACKG-RDJZCZTQSA-N 2 2 302.462 3.287 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000486812110 435614872 /nfs/dbraw/zinc/61/48/72/435614872.db2.gz OEQHUAOJGRACKG-RDJZCZTQSA-N 2 2 302.462 3.287 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000649541727 435620141 /nfs/dbraw/zinc/62/01/41/435620141.db2.gz GUMXLKKXWZHCPK-QGZVFWFLSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000649541727 435620146 /nfs/dbraw/zinc/62/01/46/435620146.db2.gz GUMXLKKXWZHCPK-QGZVFWFLSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1ccnc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000649541727 435620149 /nfs/dbraw/zinc/62/01/49/435620149.db2.gz GUMXLKKXWZHCPK-QGZVFWFLSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1ccnc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000649541727 435620153 /nfs/dbraw/zinc/62/01/53/435620153.db2.gz GUMXLKKXWZHCPK-QGZVFWFLSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000649541727 435620154 /nfs/dbraw/zinc/62/01/54/435620154.db2.gz GUMXLKKXWZHCPK-QGZVFWFLSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000649541727 435620158 /nfs/dbraw/zinc/62/01/58/435620158.db2.gz GUMXLKKXWZHCPK-QGZVFWFLSA-N 2 2 305.466 3.175 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000486931165 435621109 /nfs/dbraw/zinc/62/11/09/435621109.db2.gz ANSWQQVUTBNMTC-UPHRSURJSA-N 2 2 304.397 3.129 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000649575183 435629622 /nfs/dbraw/zinc/62/96/22/435629622.db2.gz GVXIUXXLIZQSHI-GDBMZVCRSA-N 2 2 308.491 3.170 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000649575183 435629625 /nfs/dbraw/zinc/62/96/25/435629625.db2.gz GVXIUXXLIZQSHI-GDBMZVCRSA-N 2 2 308.491 3.170 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C(C)(C)OC)c1cccc(OC)c1 ZINC000645383881 435631341 /nfs/dbraw/zinc/63/13/41/435631341.db2.gz IAUPPYWJOGNDCF-CRAIPNDOSA-N 2 2 322.493 3.481 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)c1cncnc1C)[N@@H+]1CCc2ccccc2C1 ZINC000517391244 435593803 /nfs/dbraw/zinc/59/38/03/435593803.db2.gz PBJNWQWZZASMLZ-KXBFYZLASA-N 2 2 324.472 3.273 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)c1cncnc1C)[N@H+]1CCc2ccccc2C1 ZINC000517391244 435593806 /nfs/dbraw/zinc/59/38/06/435593806.db2.gz PBJNWQWZZASMLZ-KXBFYZLASA-N 2 2 324.472 3.273 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000570162992 435593901 /nfs/dbraw/zinc/59/39/01/435593901.db2.gz XUJVGEMJWMCGHJ-GDBMZVCRSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000570162992 435593906 /nfs/dbraw/zinc/59/39/06/435593906.db2.gz XUJVGEMJWMCGHJ-GDBMZVCRSA-N 2 2 305.491 3.375 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC34CCCC4)c2cc1C ZINC000649485189 435603624 /nfs/dbraw/zinc/60/36/24/435603624.db2.gz BOISDELBAZDJJJ-INIZCTEOSA-N 2 2 313.445 3.033 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC34CCCC4)c2cc1C ZINC000649485189 435603626 /nfs/dbraw/zinc/60/36/26/435603626.db2.gz BOISDELBAZDJJJ-INIZCTEOSA-N 2 2 313.445 3.033 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000570279636 435605181 /nfs/dbraw/zinc/60/51/81/435605181.db2.gz JSTSSJJCNPQOPF-VQTJNVASSA-N 2 2 324.472 3.287 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000570279636 435605182 /nfs/dbraw/zinc/60/51/82/435605182.db2.gz JSTSSJJCNPQOPF-VQTJNVASSA-N 2 2 324.472 3.287 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000570301541 435606404 /nfs/dbraw/zinc/60/64/04/435606404.db2.gz CXPOONPXZNFZLH-YSIASYRMSA-N 2 2 324.472 3.190 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000570301541 435606406 /nfs/dbraw/zinc/60/64/06/435606406.db2.gz CXPOONPXZNFZLH-YSIASYRMSA-N 2 2 324.472 3.190 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]CC2(O)CCC2)CCCC1)c1ccccc1 ZINC000570836602 435655299 /nfs/dbraw/zinc/65/52/99/435655299.db2.gz HTBRMYLCSOAGED-INIZCTEOSA-N 2 2 302.462 3.155 20 0 DGADLP Cc1c[nH+]ccc1CCN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000645827232 435700641 /nfs/dbraw/zinc/70/06/41/435700641.db2.gz LGBFVCGHUHKEKG-LNLFQRSKSA-N 2 2 301.478 3.270 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000491028144 435698707 /nfs/dbraw/zinc/69/87/07/435698707.db2.gz CUSFOLDGMYTWMM-MQIPJXDCSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000491028144 435698711 /nfs/dbraw/zinc/69/87/11/435698711.db2.gz CUSFOLDGMYTWMM-MQIPJXDCSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000655699651 435732151 /nfs/dbraw/zinc/73/21/51/435732151.db2.gz HFSIQDOSTJHLDK-TZMCWYRMSA-N 2 2 305.422 3.385 20 0 DGADLP c1csc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655695398 435733006 /nfs/dbraw/zinc/73/30/06/435733006.db2.gz LKZBHIFACBJRJS-NVXWUHKLSA-N 2 2 306.475 3.042 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000655703754 435735703 /nfs/dbraw/zinc/73/57/03/435735703.db2.gz USGDVVNFRGGIQA-RTBURBONSA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000655703754 435735707 /nfs/dbraw/zinc/73/57/07/435735707.db2.gz USGDVVNFRGGIQA-RTBURBONSA-N 2 2 324.472 3.220 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655707920 435740676 /nfs/dbraw/zinc/74/06/76/435740676.db2.gz APWFJZNYZGBJFL-WOJBJXKFSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000641422403 435741689 /nfs/dbraw/zinc/74/16/89/435741689.db2.gz XLDBENQDWXFWJE-QAPCUYQASA-N 2 2 311.429 3.039 20 0 DGADLP C[C@@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000641422403 435741693 /nfs/dbraw/zinc/74/16/93/435741693.db2.gz XLDBENQDWXFWJE-QAPCUYQASA-N 2 2 311.429 3.039 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655724017 435750447 /nfs/dbraw/zinc/75/04/47/435750447.db2.gz QPWFJORRXWKDEZ-MJGOQNOKSA-N 2 2 318.436 3.046 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655736258 435758842 /nfs/dbraw/zinc/75/88/42/435758842.db2.gz CPJNQDBMXNKKQU-MDYRTPRTSA-N 2 2 314.473 3.468 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CCC[N@H+](CC4CC4)C3)c2c1C ZINC000664677318 435759635 /nfs/dbraw/zinc/75/96/35/435759635.db2.gz GUQAISJEHCSVQQ-OAHLLOKOSA-N 2 2 313.449 3.109 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CCC[N@@H+](CC4CC4)C3)c2c1C ZINC000664677318 435759642 /nfs/dbraw/zinc/75/96/42/435759642.db2.gz GUQAISJEHCSVQQ-OAHLLOKOSA-N 2 2 313.449 3.109 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000649793558 435707593 /nfs/dbraw/zinc/70/75/93/435707593.db2.gz LBGXTBYEJSULDQ-SFHVURJKSA-N 2 2 313.445 3.297 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000649793558 435707597 /nfs/dbraw/zinc/70/75/97/435707597.db2.gz LBGXTBYEJSULDQ-SFHVURJKSA-N 2 2 313.445 3.297 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000571514271 435712998 /nfs/dbraw/zinc/71/29/98/435712998.db2.gz JBCJFAUFXXTDGJ-KPFFTGBYSA-N 2 2 309.457 3.457 20 0 DGADLP C[N@H+](CCC[C@@H]1CCOC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000645926758 435720621 /nfs/dbraw/zinc/72/06/21/435720621.db2.gz SXMYWVOLBQKVPP-CQSZACIVSA-N 2 2 322.415 3.152 20 0 DGADLP C[N@@H+](CCC[C@@H]1CCOC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000645926758 435720626 /nfs/dbraw/zinc/72/06/26/435720626.db2.gz SXMYWVOLBQKVPP-CQSZACIVSA-N 2 2 322.415 3.152 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860515 435722819 /nfs/dbraw/zinc/72/28/19/435722819.db2.gz WTPXTIMFGPYODO-OALUTQOASA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CCC34CCOCC4)C2)cc1 ZINC000548860515 435722825 /nfs/dbraw/zinc/72/28/25/435722825.db2.gz WTPXTIMFGPYODO-OALUTQOASA-N 2 2 314.473 3.200 20 0 DGADLP CCc1nocc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000660529203 435792856 /nfs/dbraw/zinc/79/28/56/435792856.db2.gz AIRYJORJYIEAKW-UHFFFAOYSA-N 2 2 322.412 3.107 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1F ZINC000655792889 435798320 /nfs/dbraw/zinc/79/83/20/435798320.db2.gz SAZMVEMTBRMZCQ-QAPCUYQASA-N 2 2 306.425 3.120 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)c2)c[nH+]1 ZINC000655810498 435817069 /nfs/dbraw/zinc/81/70/69/435817069.db2.gz DXRLHFAGNFBQOP-IRXDYDNUSA-N 2 2 317.458 3.371 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000551015712 435820680 /nfs/dbraw/zinc/82/06/80/435820680.db2.gz ZGQDGWQYQFCRGR-RTBURBONSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000551015712 435820687 /nfs/dbraw/zinc/82/06/87/435820687.db2.gz ZGQDGWQYQFCRGR-RTBURBONSA-N 2 2 316.489 3.226 20 0 DGADLP C[C@@]1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655744418 435765077 /nfs/dbraw/zinc/76/50/77/435765077.db2.gz ZANANVWVIQYUCN-AZUAARDMSA-N 2 2 314.473 3.081 20 0 DGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472395 435765180 /nfs/dbraw/zinc/76/51/80/435765180.db2.gz JXPBZTZCCOZKDT-HOCLYGCPSA-N 2 2 324.415 3.213 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)s1 ZINC000641646900 435775297 /nfs/dbraw/zinc/77/52/97/435775297.db2.gz LPYWUWNEKSSWDB-OAHLLOKOSA-N 2 2 316.474 3.113 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1OC ZINC000520839986 435777351 /nfs/dbraw/zinc/77/73/51/435777351.db2.gz ZMEDTMFKHZQEAU-ZDUSSCGKSA-N 2 2 317.433 3.377 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651645918 435777773 /nfs/dbraw/zinc/77/77/73/435777773.db2.gz INELRFZOTOCKCT-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651645918 435777781 /nfs/dbraw/zinc/77/77/81/435777781.db2.gz INELRFZOTOCKCT-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP COc1cc(OC)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000651669103 435784851 /nfs/dbraw/zinc/78/48/51/435784851.db2.gz FMYWYFWCFRZIAH-CQSZACIVSA-N 2 2 324.440 3.197 20 0 DGADLP COc1cc(OC)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1F ZINC000651669103 435784855 /nfs/dbraw/zinc/78/48/55/435784855.db2.gz FMYWYFWCFRZIAH-CQSZACIVSA-N 2 2 324.440 3.197 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cs1 ZINC000641802570 435828723 /nfs/dbraw/zinc/82/87/23/435828723.db2.gz MWABDIVTSSGGOK-HUUCEWRRSA-N 2 2 317.458 3.034 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000655836149 435831696 /nfs/dbraw/zinc/83/16/96/435831696.db2.gz DDXFVKQBXYYDCP-HLIPFELVSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000655836149 435831697 /nfs/dbraw/zinc/83/16/97/435831697.db2.gz DDXFVKQBXYYDCP-HLIPFELVSA-N 2 2 309.457 3.265 20 0 DGADLP c1cn(CCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000572522616 435834499 /nfs/dbraw/zinc/83/44/99/435834499.db2.gz ILTPWUFYAJXOAH-QGZVFWFLSA-N 2 2 301.459 3.281 20 0 DGADLP c1cn(CCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000572522616 435834508 /nfs/dbraw/zinc/83/45/08/435834508.db2.gz ILTPWUFYAJXOAH-QGZVFWFLSA-N 2 2 301.459 3.281 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCO2 ZINC000655848362 435838038 /nfs/dbraw/zinc/83/80/38/435838038.db2.gz ICBATVPXJICFFE-NUEKZKHPSA-N 2 2 302.418 3.083 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCO2 ZINC000655848362 435838046 /nfs/dbraw/zinc/83/80/46/435838046.db2.gz ICBATVPXJICFFE-NUEKZKHPSA-N 2 2 302.418 3.083 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655847395 435838878 /nfs/dbraw/zinc/83/88/78/435838878.db2.gz AQQUQAKZKPKMPZ-GUDVDZBRSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655847395 435838881 /nfs/dbraw/zinc/83/88/81/435838881.db2.gz AQQUQAKZKPKMPZ-GUDVDZBRSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000655850369 435842307 /nfs/dbraw/zinc/84/23/07/435842307.db2.gz VGYHUOMQKMBCFY-QGTPRVQTSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000655850369 435842311 /nfs/dbraw/zinc/84/23/11/435842311.db2.gz VGYHUOMQKMBCFY-QGTPRVQTSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850777 435843078 /nfs/dbraw/zinc/84/30/78/435843078.db2.gz YTMSYJDPOVUXCM-NJAFHUGGSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850777 435843083 /nfs/dbraw/zinc/84/30/83/435843083.db2.gz YTMSYJDPOVUXCM-NJAFHUGGSA-N 2 2 315.461 3.010 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661668 435846603 /nfs/dbraw/zinc/84/66/03/435846603.db2.gz DWYPYFCMUHUDKH-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661668 435846607 /nfs/dbraw/zinc/84/66/07/435846607.db2.gz DWYPYFCMUHUDKH-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661668 435846615 /nfs/dbraw/zinc/84/66/15/435846615.db2.gz DWYPYFCMUHUDKH-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3ccccn3)nc1)C2 ZINC000660661668 435846617 /nfs/dbraw/zinc/84/66/17/435846617.db2.gz DWYPYFCMUHUDKH-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655856540 435847137 /nfs/dbraw/zinc/84/71/37/435847137.db2.gz NOQUCJCEUZCSOX-IRXDYDNUSA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655856540 435847142 /nfs/dbraw/zinc/84/71/42/435847142.db2.gz NOQUCJCEUZCSOX-IRXDYDNUSA-N 2 2 306.425 3.331 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660661736 435847709 /nfs/dbraw/zinc/84/77/09/435847709.db2.gz FWUMYOLGXNRKMA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660661736 435847715 /nfs/dbraw/zinc/84/77/15/435847715.db2.gz FWUMYOLGXNRKMA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661736 435847720 /nfs/dbraw/zinc/84/77/20/435847720.db2.gz FWUMYOLGXNRKMA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661736 435847727 /nfs/dbraw/zinc/84/77/27/435847727.db2.gz FWUMYOLGXNRKMA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCCO1 ZINC000655857855 435848418 /nfs/dbraw/zinc/84/84/18/435848418.db2.gz XCJYAZJEJMVUNL-CVEARBPZSA-N 2 2 305.447 3.371 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674468 435853571 /nfs/dbraw/zinc/85/35/71/435853571.db2.gz CIOMQTOWTWOSJJ-FQEVSTJZSA-N 3 2 315.505 3.115 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674468 435853574 /nfs/dbraw/zinc/85/35/74/435853574.db2.gz CIOMQTOWTWOSJJ-FQEVSTJZSA-N 3 2 315.505 3.115 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCC[N@@H+](C)CC(C)C)c(C)[nH+]1 ZINC000650210817 435856070 /nfs/dbraw/zinc/85/60/70/435856070.db2.gz CITYWCZVVWASLB-UHFFFAOYSA-N 2 2 306.454 3.106 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCC[N@H+](C)CC(C)C)c(C)[nH+]1 ZINC000650210817 435856088 /nfs/dbraw/zinc/85/60/88/435856088.db2.gz CITYWCZVVWASLB-UHFFFAOYSA-N 2 2 306.454 3.106 20 0 DGADLP Cc1cccc(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000660680692 435856517 /nfs/dbraw/zinc/85/65/17/435856517.db2.gz VZZYSZMIPXUDCP-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cc[nH+]cc1Cc1noc([C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000664985169 435863208 /nfs/dbraw/zinc/86/32/08/435863208.db2.gz QQLHHVWNHXRCOX-MJBXVCDLSA-N 2 2 300.406 3.298 20 0 DGADLP Cc1cc[nH+]cc1Cc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000664985169 435863214 /nfs/dbraw/zinc/86/32/14/435863214.db2.gz QQLHHVWNHXRCOX-MJBXVCDLSA-N 2 2 300.406 3.298 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722441 435868886 /nfs/dbraw/zinc/86/88/86/435868886.db2.gz IFZNFMHSIKGSAV-MKXGPGLRSA-N 2 2 320.521 3.245 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722441 435868887 /nfs/dbraw/zinc/86/88/87/435868887.db2.gz IFZNFMHSIKGSAV-MKXGPGLRSA-N 2 2 320.521 3.245 20 0 DGADLP c1ccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799535 435827098 /nfs/dbraw/zinc/82/70/98/435827098.db2.gz WSDWVAAJBYDIFX-UKRRQHHQSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799535 435827106 /nfs/dbraw/zinc/82/71/06/435827106.db2.gz WSDWVAAJBYDIFX-UKRRQHHQSA-N 2 2 301.459 3.260 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665274805 435935779 /nfs/dbraw/zinc/93/57/79/435935779.db2.gz YUHNEOLRSKHABR-JYJNAYRXSA-N 2 2 324.415 3.369 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665238230 435925038 /nfs/dbraw/zinc/92/50/38/435925038.db2.gz UIBZPMWRCJIEJZ-MGPQQGTHSA-N 2 2 308.388 3.126 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665238030 435925429 /nfs/dbraw/zinc/92/54/29/435925429.db2.gz OQONSRVREYDLKG-RHSMWYFYSA-N 2 2 316.470 3.272 20 0 DGADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251478 435929357 /nfs/dbraw/zinc/92/93/57/435929357.db2.gz PZPWOLJLJVCZSS-ATZDWAIDSA-N 2 2 309.457 3.440 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252685 435929933 /nfs/dbraw/zinc/92/99/33/435929933.db2.gz WLKFETLFCFIBTH-QKYXUNIQSA-N 2 2 312.432 3.492 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCC3)cc1F ZINC000665259535 435933162 /nfs/dbraw/zinc/93/31/62/435933162.db2.gz ILIVZFBMGUKDKE-QILLFSRXSA-N 2 2 318.436 3.202 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cn1 ZINC000647209430 435974261 /nfs/dbraw/zinc/97/42/61/435974261.db2.gz IRWATTLAWUHWLG-UHFFFAOYSA-N 2 2 321.428 3.003 20 0 DGADLP CCc1cnc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647249113 435990128 /nfs/dbraw/zinc/99/01/28/435990128.db2.gz BRRDXNIDJUYUMG-WBVHZDCISA-N 2 2 315.486 3.141 20 0 DGADLP CCc1cnc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647249113 435990130 /nfs/dbraw/zinc/99/01/30/435990130.db2.gz BRRDXNIDJUYUMG-WBVHZDCISA-N 2 2 315.486 3.141 20 0 DGADLP Clc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656281426 435937245 /nfs/dbraw/zinc/93/72/45/435937245.db2.gz XNQRICZQTPLHQP-SFHVURJKSA-N 2 2 322.880 3.069 20 0 DGADLP Clc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656281426 435937249 /nfs/dbraw/zinc/93/72/49/435937249.db2.gz XNQRICZQTPLHQP-SFHVURJKSA-N 2 2 322.880 3.069 20 0 DGADLP CCOc1cccc2cc([C@H](C)[NH2+]CC34CC(C3)C[NH2+]4)oc21 ZINC000665278381 435938817 /nfs/dbraw/zinc/93/88/17/435938817.db2.gz CQNHLDLWPAPOHT-ZVLZOBCMSA-N 2 2 300.402 3.234 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000665296515 435942316 /nfs/dbraw/zinc/94/23/16/435942316.db2.gz UBSAGPXFYPBRQQ-LSDHHAIUSA-N 2 2 300.450 3.056 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000665296624 435942753 /nfs/dbraw/zinc/94/27/53/435942753.db2.gz VPAAYBGLXPFVTH-TZMCWYRMSA-N 2 2 301.459 3.385 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1c[nH+]ccc1N ZINC000665299342 435945059 /nfs/dbraw/zinc/94/50/59/435945059.db2.gz KXDAQLXYKAXYIT-DYVFJYSZSA-N 2 2 319.412 3.018 20 0 DGADLP Cc1[nH+]c2ccccc2c(C)c1Cc1nc(C2([NH3+])CCC2)no1 ZINC000647140411 435948019 /nfs/dbraw/zinc/94/80/19/435948019.db2.gz AWANDOPAOGOHGG-UHFFFAOYSA-N 2 2 308.385 3.163 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)[C@@H]1CC[NH3+] ZINC000652355723 435957361 /nfs/dbraw/zinc/95/73/61/435957361.db2.gz FHFKFHHGWXSBSO-SWLSCSKDSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)[C@@H]1CC[NH3+] ZINC000652355723 435957363 /nfs/dbraw/zinc/95/73/63/435957363.db2.gz FHFKFHHGWXSBSO-SWLSCSKDSA-N 2 2 305.447 3.352 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000650719596 436004141 /nfs/dbraw/zinc/00/41/41/436004141.db2.gz VMOIGTRSEDBRRZ-DYESRHJHSA-N 3 2 323.484 3.016 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000650719596 436004146 /nfs/dbraw/zinc/00/41/46/436004146.db2.gz VMOIGTRSEDBRRZ-DYESRHJHSA-N 3 2 323.484 3.016 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294563 436005614 /nfs/dbraw/zinc/00/56/14/436005614.db2.gz HYPLCIWEOKNNAT-DLBZAZTESA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294563 436005618 /nfs/dbraw/zinc/00/56/18/436005618.db2.gz HYPLCIWEOKNNAT-DLBZAZTESA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693621 436013858 /nfs/dbraw/zinc/01/38/58/436013858.db2.gz BVKCASZIHLAFSR-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693621 436013863 /nfs/dbraw/zinc/01/38/63/436013863.db2.gz BVKCASZIHLAFSR-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693621 436013865 /nfs/dbraw/zinc/01/38/65/436013865.db2.gz BVKCASZIHLAFSR-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693621 436013870 /nfs/dbraw/zinc/01/38/70/436013870.db2.gz BVKCASZIHLAFSR-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP CCc1cccnc1[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364170 436030923 /nfs/dbraw/zinc/03/09/23/436030923.db2.gz UJNHCRASGLGDNR-HNNXBMFYSA-N 2 2 308.429 3.493 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C12CCC2 ZINC000647363816 436031896 /nfs/dbraw/zinc/03/18/96/436031896.db2.gz KSRARCKNPZMHOS-IAGOWNOFSA-N 2 2 313.445 3.123 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364957 436032135 /nfs/dbraw/zinc/03/21/35/436032135.db2.gz TXCDOKWMMXAFEO-GOSISDBHSA-N 2 2 321.424 3.471 20 0 DGADLP Cc1nc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cs1 ZINC000647363909 436032439 /nfs/dbraw/zinc/03/24/39/436032439.db2.gz NGMIPQKNNMZOEU-LBPRGKRZSA-N 2 2 300.431 3.301 20 0 DGADLP CCc1cc(Br)c(C)[nH+]c1NCc1c[nH+]c(C)n1C ZINC000656778760 436041397 /nfs/dbraw/zinc/04/13/97/436041397.db2.gz KUZJQUSRRWDXGG-UHFFFAOYSA-N 2 2 323.238 3.369 20 0 DGADLP CSc1cc(Br)ccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783918 436043107 /nfs/dbraw/zinc/04/31/07/436043107.db2.gz WFUPWMWZYQXOSF-UHFFFAOYSA-N 2 2 317.296 3.340 20 0 DGADLP CSc1cc(Br)ccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783918 436043112 /nfs/dbraw/zinc/04/31/12/436043112.db2.gz WFUPWMWZYQXOSF-UHFFFAOYSA-N 2 2 317.296 3.340 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000656790115 436047098 /nfs/dbraw/zinc/04/70/98/436047098.db2.gz KABSWDVNESDBOV-RTBURBONSA-N 2 2 314.404 3.070 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc(F)c1F ZINC000656788942 436047837 /nfs/dbraw/zinc/04/78/37/436047837.db2.gz KCWKTMGYFSRRNX-RHSMWYFYSA-N 2 2 320.358 3.339 20 0 DGADLP COCC[NH2+]C1CC[NH+](Cc2c(C)cc(Cl)cc2C)CC1 ZINC000650704878 435996473 /nfs/dbraw/zinc/99/64/73/435996473.db2.gz HCIMBNSUEARDGL-UHFFFAOYSA-N 2 2 310.869 3.157 20 0 DGADLP Brc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cs1 ZINC000647482900 436064113 /nfs/dbraw/zinc/06/41/13/436064113.db2.gz HSRZJVDJSQFGHT-UHFFFAOYSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cs1 ZINC000647482900 436064118 /nfs/dbraw/zinc/06/41/18/436064118.db2.gz HSRZJVDJSQFGHT-UHFFFAOYSA-N 2 2 315.280 3.227 20 0 DGADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508558 436068528 /nfs/dbraw/zinc/06/85/28/436068528.db2.gz RLXAFPMKWQYLNS-BLLLJJGKSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508558 436068533 /nfs/dbraw/zinc/06/85/33/436068533.db2.gz RLXAFPMKWQYLNS-BLLLJJGKSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508664 436069067 /nfs/dbraw/zinc/06/90/67/436069067.db2.gz XCOZNLSYMDDIDV-WBMJQRKESA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508664 436069072 /nfs/dbraw/zinc/06/90/72/436069072.db2.gz XCOZNLSYMDDIDV-WBMJQRKESA-N 2 2 320.433 3.102 20 0 DGADLP CCc1ccc([C@H]2C[NH2+]CCN2Cc2c[nH+]c3ccccn23)cc1 ZINC000647536264 436076338 /nfs/dbraw/zinc/07/63/38/436076338.db2.gz RPUPLIVVWNARJV-LJQANCHMSA-N 2 2 320.440 3.043 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)c1OC1CCCC1 ZINC000647548650 436080650 /nfs/dbraw/zinc/08/06/50/436080650.db2.gz MSOMJXLPATVISW-ZBFHGGJFSA-N 2 2 318.461 3.104 20 0 DGADLP [NH3+]C1CC[NH+](Cc2nc3c(s2)CCCc2ccccc2-3)CC1 ZINC000647609344 436086437 /nfs/dbraw/zinc/08/64/37/436086437.db2.gz WRPIVKYQGZUAJN-UHFFFAOYSA-N 2 2 313.470 3.222 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000647850125 436134365 /nfs/dbraw/zinc/13/43/65/436134365.db2.gz JDQBKBYPVPDPJW-UHFFFAOYSA-N 2 2 305.466 3.153 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647850125 436134366 /nfs/dbraw/zinc/13/43/66/436134366.db2.gz JDQBKBYPVPDPJW-UHFFFAOYSA-N 2 2 305.466 3.153 20 0 DGADLP Cc1ccc(-c2nc(CC[NH2+]Cc3c[nH+]c4n3CCC4)co2)cc1 ZINC000657341000 436149282 /nfs/dbraw/zinc/14/92/82/436149282.db2.gz GUMCPJOLKTZVEW-UHFFFAOYSA-N 2 2 322.412 3.125 20 0 DGADLP Cn1ncc(C2CCC2)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000657345241 436149333 /nfs/dbraw/zinc/14/93/33/436149333.db2.gz LFZAVSVCOWEODU-UHFFFAOYSA-N 2 2 313.449 3.065 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(OC3CCCC3)cc1)CCC2 ZINC000657349454 436151024 /nfs/dbraw/zinc/15/10/24/436151024.db2.gz HQUGQXMIABNHCL-UHFFFAOYSA-N 2 2 311.429 3.441 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000666138794 436151717 /nfs/dbraw/zinc/15/17/17/436151717.db2.gz DSKYHAZVWGNVOF-OLZOCXBDSA-N 2 2 301.821 3.068 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000666138794 436151722 /nfs/dbraw/zinc/15/17/22/436151722.db2.gz DSKYHAZVWGNVOF-OLZOCXBDSA-N 2 2 301.821 3.068 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000647925486 436152712 /nfs/dbraw/zinc/15/27/12/436152712.db2.gz KYNBEWIQXSTJFV-UHFFFAOYSA-N 2 2 305.809 3.308 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113971 436114192 /nfs/dbraw/zinc/11/41/92/436114192.db2.gz TVSPCASFPHVPDQ-MSOLQXFVSA-N 2 2 323.396 3.343 20 0 DGADLP Fc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1OC(F)F ZINC000657295915 436119860 /nfs/dbraw/zinc/11/98/60/436119860.db2.gz NVIDVGDCWYNADA-UHFFFAOYSA-N 2 2 316.367 3.393 20 0 DGADLP CC(C)(C)c1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657292464 436119885 /nfs/dbraw/zinc/11/98/85/436119885.db2.gz OMLSOOLHWKPFED-UHFFFAOYSA-N 2 2 313.445 3.295 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000657299046 436123413 /nfs/dbraw/zinc/12/34/13/436123413.db2.gz VNQNVAUPKKQIKA-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000657299046 436123424 /nfs/dbraw/zinc/12/34/24/436123424.db2.gz VNQNVAUPKKQIKA-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP Fc1ccc(Br)cc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657300435 436123734 /nfs/dbraw/zinc/12/37/34/436123734.db2.gz FOMAURBXBYLTPY-UHFFFAOYSA-N 2 2 324.197 3.021 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000657381629 436167477 /nfs/dbraw/zinc/16/74/77/436167477.db2.gz QSRHUFRFIRHWHJ-QGZVFWFLSA-N 2 2 323.444 3.271 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cnn2c1CCC2)c1ccccc1 ZINC000657369112 436163818 /nfs/dbraw/zinc/16/38/18/436163818.db2.gz YMCNWOWYCBKBHF-HNNXBMFYSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661733327 436172299 /nfs/dbraw/zinc/17/22/99/436172299.db2.gz HFGZGPQNVIGILL-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661733327 436172304 /nfs/dbraw/zinc/17/23/04/436172304.db2.gz HFGZGPQNVIGILL-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP CCN(CC)c1ccc(NCc2ccnn2-c2cc[nH+]cc2)c[nH+]1 ZINC000657412368 436185536 /nfs/dbraw/zinc/18/55/36/436185536.db2.gz DPTMCTZPZXDCIG-UHFFFAOYSA-N 2 2 322.416 3.121 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000657527970 436233435 /nfs/dbraw/zinc/23/34/35/436233435.db2.gz JTBUYEABEUPYAE-IZIZEDOESA-N 2 2 302.462 3.054 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000657527970 436233440 /nfs/dbraw/zinc/23/34/40/436233440.db2.gz JTBUYEABEUPYAE-IZIZEDOESA-N 2 2 302.462 3.054 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C2CCCCC2)n1 ZINC000657524364 436233550 /nfs/dbraw/zinc/23/35/50/436233550.db2.gz KOVVOPWBIYYIQT-QGZVFWFLSA-N 2 2 318.509 3.430 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C2CCCCC2)n1 ZINC000657524364 436233552 /nfs/dbraw/zinc/23/35/52/436233552.db2.gz KOVVOPWBIYYIQT-QGZVFWFLSA-N 2 2 318.509 3.430 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000657527971 436235594 /nfs/dbraw/zinc/23/55/94/436235594.db2.gz JTBUYEABEUPYAE-WEOZKBJRSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000657527971 436235596 /nfs/dbraw/zinc/23/55/96/436235596.db2.gz JTBUYEABEUPYAE-WEOZKBJRSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccccc1[C@]1(F)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653661997 436237685 /nfs/dbraw/zinc/23/76/85/436237685.db2.gz MUODAEDJKXWAOS-SFHVURJKSA-N 2 2 301.409 3.232 20 0 DGADLP Cc1ccccc1[C@]1(F)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653661997 436237688 /nfs/dbraw/zinc/23/76/88/436237688.db2.gz MUODAEDJKXWAOS-SFHVURJKSA-N 2 2 301.409 3.232 20 0 DGADLP C[C@@H](CCCCO)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000651419385 436193628 /nfs/dbraw/zinc/19/36/28/436193628.db2.gz CJILFFOWLKZRTF-KRWDZBQOSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H](CCCCO)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000651419385 436193637 /nfs/dbraw/zinc/19/36/37/436193637.db2.gz CJILFFOWLKZRTF-KRWDZBQOSA-N 2 2 304.478 3.182 20 0 DGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657446060 436205596 /nfs/dbraw/zinc/20/55/96/436205596.db2.gz KIDYRHZHAIJLTK-UHFFFAOYSA-N 2 2 309.335 3.446 20 0 DGADLP Fc1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cccc1OC1CC1 ZINC000657457603 436212817 /nfs/dbraw/zinc/21/28/17/436212817.db2.gz OCWOQIFOTSPFMT-UHFFFAOYSA-N 2 2 318.436 3.473 20 0 DGADLP C[C@H]1CC[N@H+](CCc2noc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000653586568 436215665 /nfs/dbraw/zinc/21/56/65/436215665.db2.gz UYYBCKIGSPYXFQ-YOEHRIQHSA-N 2 2 310.401 3.150 20 0 DGADLP C[C@H]1CC[N@@H+](CCc2noc3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000653586568 436215667 /nfs/dbraw/zinc/21/56/67/436215667.db2.gz UYYBCKIGSPYXFQ-YOEHRIQHSA-N 2 2 310.401 3.150 20 0 DGADLP C[C@H]1CC[N@H+](CCc2noc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000653586567 436216552 /nfs/dbraw/zinc/21/65/52/436216552.db2.gz UYYBCKIGSPYXFQ-WMLDXEAASA-N 2 2 310.401 3.150 20 0 DGADLP C[C@H]1CC[N@@H+](CCc2noc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000653586567 436216557 /nfs/dbraw/zinc/21/65/57/436216557.db2.gz UYYBCKIGSPYXFQ-WMLDXEAASA-N 2 2 310.401 3.150 20 0 DGADLP CCOc1ccc(C[C@H](C)C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000657488533 436225089 /nfs/dbraw/zinc/22/50/89/436225089.db2.gz QTOPCIBRPGIOOE-AWEZNQCLSA-N 2 2 301.434 3.096 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000657522570 436231345 /nfs/dbraw/zinc/23/13/45/436231345.db2.gz CAZFCBWTXYRZBW-AWEZNQCLSA-N 2 2 316.424 3.178 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000657522570 436231350 /nfs/dbraw/zinc/23/13/50/436231350.db2.gz CAZFCBWTXYRZBW-AWEZNQCLSA-N 2 2 316.424 3.178 20 0 DGADLP CC(C)(C)c1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662147854 436289762 /nfs/dbraw/zinc/28/97/62/436289762.db2.gz HHQIHXKAQGATSP-IBGZPJMESA-N 2 2 316.489 3.015 20 0 DGADLP CC(C)(C)c1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662147854 436289764 /nfs/dbraw/zinc/28/97/64/436289764.db2.gz HHQIHXKAQGATSP-IBGZPJMESA-N 2 2 316.489 3.015 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2CCC(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657740447 436290624 /nfs/dbraw/zinc/29/06/24/436290624.db2.gz SFTUNUYJLGUBFD-AVAKVYKDSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2CCC(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000657740447 436290627 /nfs/dbraw/zinc/29/06/27/436290627.db2.gz SFTUNUYJLGUBFD-AVAKVYKDSA-N 2 2 316.489 3.180 20 0 DGADLP C1CC(C2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)C1 ZINC000657752792 436295140 /nfs/dbraw/zinc/29/51/40/436295140.db2.gz RJXIBTGNCAQJSB-FAFZWHIHSA-N 2 2 306.494 3.188 20 0 DGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657751863 436296062 /nfs/dbraw/zinc/29/60/62/436296062.db2.gz MGGFURINIHCNNG-WDSOQIARSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1[nH+]cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)n1-c1ccccc1 ZINC000657562833 436246351 /nfs/dbraw/zinc/24/63/51/436246351.db2.gz PVEGGUGKFMXHQD-INIZCTEOSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1[nH+]cc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)n1-c1ccccc1 ZINC000657562833 436246352 /nfs/dbraw/zinc/24/63/52/436246352.db2.gz PVEGGUGKFMXHQD-INIZCTEOSA-N 2 2 312.461 3.143 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC(c4ccon4)CC3)cc2)c[nH+]1 ZINC000662048021 436257528 /nfs/dbraw/zinc/25/75/28/436257528.db2.gz SBHLYMZJKDXPTE-UHFFFAOYSA-N 2 2 308.385 3.240 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1(CO)CC1 ZINC000657608657 436259266 /nfs/dbraw/zinc/25/92/66/436259266.db2.gz XPHOVPACZYTCBD-AWEZNQCLSA-N 2 2 322.880 3.055 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000657637977 436267030 /nfs/dbraw/zinc/26/70/30/436267030.db2.gz NZARQJZIXVNWRU-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000657637977 436267034 /nfs/dbraw/zinc/26/70/34/436267034.db2.gz NZARQJZIXVNWRU-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1(F)F ZINC000657665499 436271957 /nfs/dbraw/zinc/27/19/57/436271957.db2.gz MXZUHXZKPXAJTF-LLVKDONJSA-N 2 2 300.315 3.038 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770115 436279311 /nfs/dbraw/zinc/27/93/11/436279311.db2.gz LDXZFUBUXNRRFJ-ZFWWWQNUSA-N 2 2 323.868 3.097 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770254 436279880 /nfs/dbraw/zinc/27/98/80/436279880.db2.gz QJBWUHUBBUMEPV-HOTGVXAUSA-N 2 2 317.477 3.259 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000657693868 436280006 /nfs/dbraw/zinc/28/00/06/436280006.db2.gz ULLOBMHFPUJDKT-DLBZAZTESA-N 2 2 302.462 3.263 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666798919 436283161 /nfs/dbraw/zinc/28/31/61/436283161.db2.gz RGJGJEAUZIRVMX-MRXNPFEDSA-N 2 2 320.868 3.048 20 0 DGADLP COC1([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000657931990 436342309 /nfs/dbraw/zinc/34/23/09/436342309.db2.gz NWVRIEVJSJIXIE-JKSUJKDBSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCCSCC1 ZINC000657939562 436344475 /nfs/dbraw/zinc/34/44/75/436344475.db2.gz AYYIILWUCJXWLE-INIZCTEOSA-N 2 2 319.518 3.444 20 0 DGADLP c1cn(CCC[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c[nH+]1 ZINC000662211204 436301828 /nfs/dbraw/zinc/30/18/28/436301828.db2.gz FDQAXIDVFIRBMD-UHFFFAOYSA-N 2 2 309.413 3.214 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3[C@H]4Cc5cc(F)ccc5[C@@H]34)n2c1 ZINC000657791863 436306394 /nfs/dbraw/zinc/30/63/94/436306394.db2.gz WOUGDVUHWATHNZ-QXAKKESOSA-N 2 2 307.372 3.210 20 0 DGADLP CCOc1ccc(NCc2cn(-c3cc[nH+]cc3)nc2C)[nH+]c1C ZINC000657795417 436309568 /nfs/dbraw/zinc/30/95/68/436309568.db2.gz IEVYPQAWEKOYHX-UHFFFAOYSA-N 2 2 323.400 3.290 20 0 DGADLP Clc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662255488 436312966 /nfs/dbraw/zinc/31/29/66/436312966.db2.gz PYUQTTCGISZPNZ-SJORKVTESA-N 2 2 308.853 3.246 20 0 DGADLP Clc1ccc([C@@H]2CCCCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662255488 436312971 /nfs/dbraw/zinc/31/29/71/436312971.db2.gz PYUQTTCGISZPNZ-SJORKVTESA-N 2 2 308.853 3.246 20 0 DGADLP c1ccc([C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657815186 436316299 /nfs/dbraw/zinc/31/62/99/436316299.db2.gz FMBMNDKYSKAQCB-ZWKOTPCHSA-N 2 2 300.446 3.125 20 0 DGADLP Brc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998378 436321817 /nfs/dbraw/zinc/32/18/17/436321817.db2.gz PZVMJYMXDROAMN-ZDUSSCGKSA-N 2 2 309.251 3.213 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000662275822 436322046 /nfs/dbraw/zinc/32/20/46/436322046.db2.gz DZUSAPKYLXHIPY-HFAKWTLXSA-N 2 2 300.418 3.033 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995338 436322475 /nfs/dbraw/zinc/32/24/75/436322475.db2.gz KIVIOSXJUPAPQL-QRQLOZEOSA-N 3 2 319.537 3.294 20 0 DGADLP Clc1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CCCC2)c1 ZINC000662283233 436323516 /nfs/dbraw/zinc/32/35/16/436323516.db2.gz SRPUAKRLGIQVJB-IAGOWNOFSA-N 2 2 308.853 3.149 20 0 DGADLP Clc1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CCCC2)c1 ZINC000662283235 436323636 /nfs/dbraw/zinc/32/36/36/436323636.db2.gz SRPUAKRLGIQVJB-SJORKVTESA-N 2 2 308.853 3.149 20 0 DGADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCc1nsc2ccccc21 ZINC000662286203 436324608 /nfs/dbraw/zinc/32/46/08/436324608.db2.gz POXKPJYOTYOCPJ-GOSISDBHSA-N 2 2 323.465 3.397 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323311 436330266 /nfs/dbraw/zinc/33/02/66/436330266.db2.gz PHIZPTKCIYCEEN-PBHICJAKSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323311 436330271 /nfs/dbraw/zinc/33/02/71/436330271.db2.gz PHIZPTKCIYCEEN-PBHICJAKSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324423 436331867 /nfs/dbraw/zinc/33/18/67/436331867.db2.gz XQVNJWDVLHHBPE-UKRRQHHQSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324423 436331871 /nfs/dbraw/zinc/33/18/71/436331871.db2.gz XQVNJWDVLHHBPE-UKRRQHHQSA-N 2 2 312.404 3.068 20 0 DGADLP C([NH2+][C@H]1COC2(CCC2)C1)C1([NH+]2CCSCC2)CCCCC1 ZINC000657877448 436331932 /nfs/dbraw/zinc/33/19/32/436331932.db2.gz JTEKOZPMHPVOJN-MRXNPFEDSA-N 2 2 324.534 3.039 20 0 DGADLP FCC1(CF)CC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000657883457 436333211 /nfs/dbraw/zinc/33/32/11/436333211.db2.gz SFYDJMQNJIGMTA-KRWDZBQOSA-N 2 2 308.416 3.328 20 0 DGADLP FCC1(CF)CC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000657883457 436333214 /nfs/dbraw/zinc/33/32/14/436333214.db2.gz SFYDJMQNJIGMTA-KRWDZBQOSA-N 2 2 308.416 3.328 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000657901174 436336135 /nfs/dbraw/zinc/33/61/35/436336135.db2.gz OWVWZVBBXRNGCB-QGZVFWFLSA-N 2 2 324.896 3.362 20 0 DGADLP CCC(C)(C)[NH+]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000654071044 436337882 /nfs/dbraw/zinc/33/78/82/436337882.db2.gz SOVDSVHFCMQUNZ-UHFFFAOYSA-N 2 2 304.438 3.037 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2COC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000658056240 436360373 /nfs/dbraw/zinc/36/03/73/436360373.db2.gz ACJOTYUVLZXUJA-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2COC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000658056240 436360378 /nfs/dbraw/zinc/36/03/78/436360378.db2.gz ACJOTYUVLZXUJA-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658058835 436362372 /nfs/dbraw/zinc/36/23/72/436362372.db2.gz UZYSSIFCGMSVLI-GOEBONIOSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658058835 436362376 /nfs/dbraw/zinc/36/23/76/436362376.db2.gz UZYSSIFCGMSVLI-GOEBONIOSA-N 2 2 320.477 3.097 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061592 436362747 /nfs/dbraw/zinc/36/27/47/436362747.db2.gz PIUHWYOFGOLFBW-UKRRQHHQSA-N 2 2 306.498 3.470 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061592 436362750 /nfs/dbraw/zinc/36/27/50/436362750.db2.gz PIUHWYOFGOLFBW-UKRRQHHQSA-N 2 2 306.498 3.470 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061591 436363139 /nfs/dbraw/zinc/36/31/39/436363139.db2.gz PIUHWYOFGOLFBW-HIFRSBDPSA-N 2 2 306.498 3.470 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061591 436363141 /nfs/dbraw/zinc/36/31/41/436363141.db2.gz PIUHWYOFGOLFBW-HIFRSBDPSA-N 2 2 306.498 3.470 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095768 436373395 /nfs/dbraw/zinc/37/33/95/436373395.db2.gz LOXAJAROZDOFON-JKSUJKDBSA-N 2 2 316.424 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095768 436373398 /nfs/dbraw/zinc/37/33/98/436373398.db2.gz LOXAJAROZDOFON-JKSUJKDBSA-N 2 2 316.424 3.101 20 0 DGADLP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000662706841 436379725 /nfs/dbraw/zinc/37/97/25/436379725.db2.gz GSWFVDJQXHSIGG-HNNXBMFYSA-N 2 2 312.417 3.157 20 0 DGADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC1CCCC1 ZINC000658121972 436381647 /nfs/dbraw/zinc/38/16/47/436381647.db2.gz CKPWDOHBXHEMRR-OAHLLOKOSA-N 2 2 320.399 3.093 20 0 DGADLP [NH3+]C1(CC(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)CC1 ZINC000662747867 436384158 /nfs/dbraw/zinc/38/41/58/436384158.db2.gz DBQZNWSMEZDURW-UHFFFAOYSA-N 2 2 312.417 3.431 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662750001 436384470 /nfs/dbraw/zinc/38/44/70/436384470.db2.gz QKUQOZHYTPLCJI-SHTZXODSSA-N 2 2 312.417 3.026 20 0 DGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000662901750 436399923 /nfs/dbraw/zinc/39/99/23/436399923.db2.gz IZNPJTOJWJSROG-HOCLYGCPSA-N 2 2 320.481 3.158 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000658238159 436408290 /nfs/dbraw/zinc/40/82/90/436408290.db2.gz HXNNBEHWSMRPSB-WMZOPIPTSA-N 2 2 301.478 3.039 20 0 DGADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[NH+](C)C ZINC000658014135 436354330 /nfs/dbraw/zinc/35/43/30/436354330.db2.gz LCBOMNYGGYNMBN-JTQLQIEISA-N 2 2 308.775 3.441 20 0 DGADLP COc1cc2ccc([C@@H](C)[NH2+]CC[NH+](C)C)cc2cc1OC ZINC000658016412 436354499 /nfs/dbraw/zinc/35/44/99/436354499.db2.gz YDZRSFBCMFWLBO-CYBMUJFWSA-N 2 2 302.418 3.069 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CCC2)c1 ZINC000658323930 436430198 /nfs/dbraw/zinc/43/01/98/436430198.db2.gz UUNAKMVTIIBFQO-ZBFHGGJFSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CCC2)c1 ZINC000658323930 436430200 /nfs/dbraw/zinc/43/02/00/436430200.db2.gz UUNAKMVTIIBFQO-ZBFHGGJFSA-N 2 2 300.446 3.289 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327266 436431710 /nfs/dbraw/zinc/43/17/10/436431710.db2.gz NOQJNMSIRCBNMD-FZMZJTMJSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327266 436431714 /nfs/dbraw/zinc/43/17/14/436431714.db2.gz NOQJNMSIRCBNMD-FZMZJTMJSA-N 2 2 316.367 3.247 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nccn1C ZINC000658336055 436434196 /nfs/dbraw/zinc/43/41/96/436434196.db2.gz MKTVNDXJBHDGTH-BFYDXBDKSA-N 2 2 304.482 3.114 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000658337580 436434220 /nfs/dbraw/zinc/43/42/20/436434220.db2.gz VHSIMMCLBJHGHD-DSLXNQLJSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccn1C ZINC000658337580 436434223 /nfs/dbraw/zinc/43/42/23/436434223.db2.gz VHSIMMCLBJHGHD-DSLXNQLJSA-N 2 2 324.472 3.266 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCc1ccccc1-2 ZINC000663352619 436444492 /nfs/dbraw/zinc/44/44/92/436444492.db2.gz VGFDKRGJWQKQSL-SQNIBIBYSA-N 2 2 322.456 3.076 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCc1ccccc1-2 ZINC000663352619 436444494 /nfs/dbraw/zinc/44/44/94/436444494.db2.gz VGFDKRGJWQKQSL-SQNIBIBYSA-N 2 2 322.456 3.076 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cc2)c[nH+]1 ZINC000663347813 436444694 /nfs/dbraw/zinc/44/46/94/436444694.db2.gz WPXVKWWQCGYFPM-IBGZPJMESA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cc2)c[nH+]1 ZINC000663347813 436444698 /nfs/dbraw/zinc/44/46/98/436444698.db2.gz WPXVKWWQCGYFPM-IBGZPJMESA-N 3 2 324.472 3.084 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CCC(C[NH+]2CCCC2)CC1 ZINC000663395928 436452213 /nfs/dbraw/zinc/45/22/13/436452213.db2.gz CPUYINLKCUQXHF-UHFFFAOYSA-N 2 2 310.445 3.129 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658283208 436416391 /nfs/dbraw/zinc/41/63/91/436416391.db2.gz AYVBFMDGLDEEQO-NEWSRXKRSA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658283208 436416395 /nfs/dbraw/zinc/41/63/95/436416395.db2.gz AYVBFMDGLDEEQO-NEWSRXKRSA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288701 436418557 /nfs/dbraw/zinc/41/85/57/436418557.db2.gz YBVMGYOJVXZQGA-CZUORRHYSA-N 2 2 323.868 3.131 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288701 436418561 /nfs/dbraw/zinc/41/85/61/436418561.db2.gz YBVMGYOJVXZQGA-CZUORRHYSA-N 2 2 323.868 3.131 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288783 436419702 /nfs/dbraw/zinc/41/97/02/436419702.db2.gz ZOIOKKCWJJLEOK-CRAIPNDOSA-N 3 2 312.461 3.316 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288783 436419704 /nfs/dbraw/zinc/41/97/04/436419704.db2.gz ZOIOKKCWJJLEOK-CRAIPNDOSA-N 3 2 312.461 3.316 20 0 DGADLP CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288783 436419705 /nfs/dbraw/zinc/41/97/05/436419705.db2.gz ZOIOKKCWJJLEOK-CRAIPNDOSA-N 2 2 312.461 3.316 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287363 436419735 /nfs/dbraw/zinc/41/97/35/436419735.db2.gz ZIZODYGWOJCJOT-YCEFEEMOSA-N 2 2 302.462 3.261 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287363 436419738 /nfs/dbraw/zinc/41/97/38/436419738.db2.gz ZIZODYGWOJCJOT-YCEFEEMOSA-N 2 2 302.462 3.261 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287278 436419832 /nfs/dbraw/zinc/41/98/32/436419832.db2.gz GKLWPEIMYMAPDY-ZFWWWQNUSA-N 2 2 315.461 3.051 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287278 436419836 /nfs/dbraw/zinc/41/98/36/436419836.db2.gz GKLWPEIMYMAPDY-ZFWWWQNUSA-N 2 2 315.461 3.051 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000658295686 436420255 /nfs/dbraw/zinc/42/02/55/436420255.db2.gz UXYVGEKKOBWDRM-ZWKOTPCHSA-N 2 2 306.425 3.120 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000658295387 436420586 /nfs/dbraw/zinc/42/05/86/436420586.db2.gz MJFYMLRHQCCDFR-OALUTQOASA-N 2 2 302.462 3.289 20 0 DGADLP Fc1cccc(Oc2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)c1 ZINC000663500776 436470040 /nfs/dbraw/zinc/47/00/40/436470040.db2.gz NXRLYHSPRIIOCN-UHFFFAOYSA-N 2 2 312.388 3.460 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000663514212 436472917 /nfs/dbraw/zinc/47/29/17/436472917.db2.gz PARZGYWQEFFMTA-CQSZACIVSA-N 2 2 300.402 3.185 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC2(CCC2)C1 ZINC000659256618 436484648 /nfs/dbraw/zinc/48/46/48/436484648.db2.gz PODSFSXJKLRRHE-UHFFFAOYSA-N 2 2 323.396 3.474 20 0 DGADLP CC[NH+](CC)[C@@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000663673664 436490226 /nfs/dbraw/zinc/49/02/26/436490226.db2.gz LYALOOPZOVQPHD-CYBMUJFWSA-N 2 2 301.356 3.329 20 0 DGADLP Cc1cc(CO)cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[nH+]1 ZINC000663684928 436490850 /nfs/dbraw/zinc/49/08/50/436490850.db2.gz YHPIAHWUZRRTHW-INIZCTEOSA-N 2 2 319.836 3.251 20 0 DGADLP C[C@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@@H]1n1cc[nH+]c1 ZINC000663714763 436495169 /nfs/dbraw/zinc/49/51/69/436495169.db2.gz ZSRRKWMRRVPNKD-GUYCJALGSA-N 2 2 307.401 3.101 20 0 DGADLP C[NH+](C)C1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000659838638 436539532 /nfs/dbraw/zinc/53/95/32/436539532.db2.gz NSVCSHVJIKRMMO-UHFFFAOYSA-N 2 2 300.418 3.083 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc(C)n1 ZINC000659864604 436548023 /nfs/dbraw/zinc/54/80/23/436548023.db2.gz LLCDZRGPIYMORB-GOSISDBHSA-N 2 2 316.493 3.037 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc(C)n1 ZINC000659864604 436548027 /nfs/dbraw/zinc/54/80/27/436548027.db2.gz LLCDZRGPIYMORB-GOSISDBHSA-N 2 2 316.493 3.037 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447401 436550119 /nfs/dbraw/zinc/55/01/19/436550119.db2.gz QZJPPXVIZWWLFF-LIRRHRJNSA-N 2 2 324.428 3.159 20 0 DGADLP CSc1cccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000660015288 436579596 /nfs/dbraw/zinc/57/95/96/436579596.db2.gz RCWQSGHVNZOFCQ-UHFFFAOYSA-N 2 2 313.470 3.434 20 0 DGADLP c1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659946763 436565491 /nfs/dbraw/zinc/56/54/91/436565491.db2.gz HNVKFJJUEVMXCW-CQSZACIVSA-N 2 2 301.459 3.214 20 0 DGADLP c1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)nsc2c1 ZINC000659946763 436565495 /nfs/dbraw/zinc/56/54/95/436565495.db2.gz HNVKFJJUEVMXCW-CQSZACIVSA-N 2 2 301.459 3.214 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989460 436574134 /nfs/dbraw/zinc/57/41/34/436574134.db2.gz LMACVAYHYWOFAI-QZTJIDSGSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989460 436574137 /nfs/dbraw/zinc/57/41/37/436574137.db2.gz LMACVAYHYWOFAI-QZTJIDSGSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989460 436574138 /nfs/dbraw/zinc/57/41/38/436574138.db2.gz LMACVAYHYWOFAI-QZTJIDSGSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989460 436574141 /nfs/dbraw/zinc/57/41/41/436574141.db2.gz LMACVAYHYWOFAI-QZTJIDSGSA-N 2 2 308.441 3.054 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655684188 436574705 /nfs/dbraw/zinc/57/47/05/436574705.db2.gz ZKYHXWMHFPOOTC-RTBURBONSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@@H+]1C ZINC000659984832 436574915 /nfs/dbraw/zinc/57/49/15/436574915.db2.gz VVEFKIAXLXLNLN-DGCLKSJQSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@H+]1C ZINC000659984832 436574918 /nfs/dbraw/zinc/57/49/18/436574918.db2.gz VVEFKIAXLXLNLN-DGCLKSJQSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984832 436574921 /nfs/dbraw/zinc/57/49/21/436574921.db2.gz VVEFKIAXLXLNLN-DGCLKSJQSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984832 436574925 /nfs/dbraw/zinc/57/49/25/436574925.db2.gz VVEFKIAXLXLNLN-DGCLKSJQSA-N 2 2 316.367 3.342 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000660077311 436586656 /nfs/dbraw/zinc/58/66/56/436586656.db2.gz NMWHZXWETYBJMW-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000660077311 436586659 /nfs/dbraw/zinc/58/66/59/436586659.db2.gz NMWHZXWETYBJMW-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000664405129 436596205 /nfs/dbraw/zinc/59/62/05/436596205.db2.gz ZRAFQOGCSRZTDE-HNNXBMFYSA-N 2 2 300.450 3.481 20 0 DGADLP Cc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000664405129 436596209 /nfs/dbraw/zinc/59/62/09/436596209.db2.gz ZRAFQOGCSRZTDE-HNNXBMFYSA-N 2 2 300.450 3.481 20 0 DGADLP C[C@H]([NH2+]Cc1cc(C2CC2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256185 436615246 /nfs/dbraw/zinc/61/52/46/436615246.db2.gz JMXXHWJZECTSML-DZGCQCFKSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@H]([NH2+]Cc1cc(C2CC2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256185 436615247 /nfs/dbraw/zinc/61/52/47/436615247.db2.gz JMXXHWJZECTSML-DZGCQCFKSA-N 2 2 303.450 3.295 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)c[nH+]1 ZINC000376739322 312980727 /nfs/dbraw/zinc/98/07/27/312980727.db2.gz YBQMROUVPCWJIY-GOSISDBHSA-N 2 2 311.429 3.311 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000528729315 313066740 /nfs/dbraw/zinc/06/67/40/313066740.db2.gz NZWVWMUKPYRCEM-UHFFFAOYSA-N 2 2 322.880 3.069 20 0 DGADLP C[C@H](c1ccccc1F)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726915 313067220 /nfs/dbraw/zinc/06/72/20/313067220.db2.gz GWEGGUXKMAYDGI-OAHLLOKOSA-N 2 2 306.425 3.073 20 0 DGADLP COc1cccc(C[C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000528750950 313073143 /nfs/dbraw/zinc/07/31/43/313073143.db2.gz RKPNQHYYPNFZOV-GOSISDBHSA-N 2 2 313.445 3.379 20 0 DGADLP COc1cccc(C[C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000528750950 313073147 /nfs/dbraw/zinc/07/31/47/313073147.db2.gz RKPNQHYYPNFZOV-GOSISDBHSA-N 2 2 313.445 3.379 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000542661635 314088984 /nfs/dbraw/zinc/08/89/84/314088984.db2.gz CJOKSMMSXNOBMO-SFHVURJKSA-N 2 2 306.450 3.130 20 0 DGADLP Cc1nc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c2c([nH+]1)CCCC2 ZINC000542948909 314107921 /nfs/dbraw/zinc/10/79/21/314107921.db2.gz MMAMICJTSATAJK-SFHVURJKSA-N 2 2 308.429 3.262 20 0 DGADLP Cc1nc(N[C@H]2C[N@H+](C)Cc3ccccc32)c2c([nH+]1)CCCC2 ZINC000542948909 314107923 /nfs/dbraw/zinc/10/79/23/314107923.db2.gz MMAMICJTSATAJK-SFHVURJKSA-N 2 2 308.429 3.262 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610787 314202181 /nfs/dbraw/zinc/20/21/81/314202181.db2.gz DTUXXWWBQPNCCD-NHZBNJEXSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610787 314202184 /nfs/dbraw/zinc/20/21/84/314202184.db2.gz DTUXXWWBQPNCCD-NHZBNJEXSA-N 2 2 306.400 3.396 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000546655651 314318839 /nfs/dbraw/zinc/31/88/39/314318839.db2.gz APVNKNLQDZFZFQ-KBMXLJTQSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000549137569 314496133 /nfs/dbraw/zinc/49/61/33/314496133.db2.gz VFZVFUZIAFKFNS-SFHVURJKSA-N 2 2 323.440 3.112 20 0 DGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000551435705 314562044 /nfs/dbraw/zinc/56/20/44/314562044.db2.gz RVBRTWIWGMBSSQ-UHFFFAOYSA-N 2 2 319.412 3.355 20 0 DGADLP C[C@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@H](C)[NH+]1CCOCC1 ZINC000553042767 314630483 /nfs/dbraw/zinc/63/04/83/314630483.db2.gz BWUDCBDABDHYHD-STQMWFEESA-N 2 2 319.836 3.409 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000553095026 314632098 /nfs/dbraw/zinc/63/20/98/314632098.db2.gz CBOUHXFZYVRPDG-FUHWJXTLSA-N 2 2 324.509 3.208 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000562365199 315014137 /nfs/dbraw/zinc/01/41/37/315014137.db2.gz VLVZJICKUOWGCF-MRXNPFEDSA-N 2 2 319.497 3.279 20 0 DGADLP C[C@@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000562960041 315065175 /nfs/dbraw/zinc/06/51/75/315065175.db2.gz JIIZAQKTSLNWLQ-PWSUYJOCSA-N 2 2 303.233 3.102 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2[nH+]1 ZINC000563091128 315078016 /nfs/dbraw/zinc/07/80/16/315078016.db2.gz VIGMCCRKRAGZRO-UONOGXRCSA-N 2 2 300.406 3.108 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563096882 315079169 /nfs/dbraw/zinc/07/91/69/315079169.db2.gz NHTRYWSZZBVHIA-VHRNVKJDSA-N 2 2 324.428 3.244 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000563417935 315112981 /nfs/dbraw/zinc/11/29/81/315112981.db2.gz MZCCRNYQHNBWGQ-TXPKVOOTSA-N 2 2 310.445 3.099 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000563417935 315112983 /nfs/dbraw/zinc/11/29/83/315112983.db2.gz MZCCRNYQHNBWGQ-TXPKVOOTSA-N 2 2 310.445 3.099 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000564156154 315159925 /nfs/dbraw/zinc/15/99/25/315159925.db2.gz PCKUZPOLHJVOHD-CQSZACIVSA-N 2 2 318.490 3.455 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000564156154 315159929 /nfs/dbraw/zinc/15/99/29/315159929.db2.gz PCKUZPOLHJVOHD-CQSZACIVSA-N 2 2 318.490 3.455 20 0 DGADLP Cc1[nH+]c2c(n1Cc1cn3cc(Cl)ccc3[nH+]1)CCCC2 ZINC000564280139 315165698 /nfs/dbraw/zinc/16/56/98/315165698.db2.gz LXUFIOPWBXGNEN-UHFFFAOYSA-N 2 2 300.793 3.420 20 0 DGADLP CC(C)C[C@@H](C)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000564301666 315167512 /nfs/dbraw/zinc/16/75/12/315167512.db2.gz YXUOOKKJJHMUTL-MRXNPFEDSA-N 2 2 318.509 3.128 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000564327374 315169774 /nfs/dbraw/zinc/16/97/74/315169774.db2.gz ZSAMHUGEGTWEJK-SUMWQHHRSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000564327374 315169775 /nfs/dbraw/zinc/16/97/75/315169775.db2.gz ZSAMHUGEGTWEJK-SUMWQHHRSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000564327374 315169776 /nfs/dbraw/zinc/16/97/76/315169776.db2.gz ZSAMHUGEGTWEJK-SUMWQHHRSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000564327374 315169778 /nfs/dbraw/zinc/16/97/78/315169778.db2.gz ZSAMHUGEGTWEJK-SUMWQHHRSA-N 2 2 306.498 3.027 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000564698825 315192194 /nfs/dbraw/zinc/19/21/94/315192194.db2.gz BTXONDMGSNPGQL-KRWDZBQOSA-N 2 2 324.428 3.396 20 0 DGADLP CCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)C(C)C ZINC000565233382 315245060 /nfs/dbraw/zinc/24/50/60/315245060.db2.gz IKVOMGGYFJMLIV-HNNXBMFYSA-N 2 2 303.450 3.080 20 0 DGADLP CCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000565233382 315245061 /nfs/dbraw/zinc/24/50/61/315245061.db2.gz IKVOMGGYFJMLIV-HNNXBMFYSA-N 2 2 303.450 3.080 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237767 315245669 /nfs/dbraw/zinc/24/56/69/315245669.db2.gz KZJZCKOBIPNWRG-WMZOPIPTSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237767 315245671 /nfs/dbraw/zinc/24/56/71/315245671.db2.gz KZJZCKOBIPNWRG-WMZOPIPTSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237767 315245673 /nfs/dbraw/zinc/24/56/73/315245673.db2.gz KZJZCKOBIPNWRG-WMZOPIPTSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237767 315245675 /nfs/dbraw/zinc/24/56/75/315245675.db2.gz KZJZCKOBIPNWRG-WMZOPIPTSA-N 2 2 312.461 3.027 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565894099 315295527 /nfs/dbraw/zinc/29/55/27/315295527.db2.gz DUVZFDNJYPCALN-NEPJUHHUSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565894099 315295530 /nfs/dbraw/zinc/29/55/30/315295530.db2.gz DUVZFDNJYPCALN-NEPJUHHUSA-N 2 2 308.376 3.163 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566091034 315311260 /nfs/dbraw/zinc/31/12/60/315311260.db2.gz WAGBWUIHENXYAW-IAGOWNOFSA-N 2 2 303.450 3.153 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566091036 315311363 /nfs/dbraw/zinc/31/13/63/315311363.db2.gz WAGBWUIHENXYAW-SJORKVTESA-N 2 2 303.450 3.153 20 0 DGADLP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000566424258 315344193 /nfs/dbraw/zinc/34/41/93/315344193.db2.gz JVHKKHJDBXCXSO-ROUUACIJSA-N 2 2 316.489 3.193 20 0 DGADLP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000566424258 315344194 /nfs/dbraw/zinc/34/41/94/315344194.db2.gz JVHKKHJDBXCXSO-ROUUACIJSA-N 2 2 316.489 3.193 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566473512 315350467 /nfs/dbraw/zinc/35/04/67/315350467.db2.gz CDVUHHLDVXZHPP-AYBZRNKSSA-N 2 2 324.472 3.489 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566473512 315350470 /nfs/dbraw/zinc/35/04/70/315350470.db2.gz CDVUHHLDVXZHPP-AYBZRNKSSA-N 2 2 324.472 3.489 20 0 DGADLP Cc1[nH]c(CN[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[nH+]c1C ZINC000566497275 315353546 /nfs/dbraw/zinc/35/35/46/315353546.db2.gz VEFPJRUWIMKGFO-QAPCUYQASA-N 2 2 300.450 3.116 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000566623241 315363519 /nfs/dbraw/zinc/36/35/19/315363519.db2.gz CHJUNFASJOVQAP-GOSISDBHSA-N 2 2 320.452 3.103 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566735564 315370568 /nfs/dbraw/zinc/37/05/68/315370568.db2.gz BBDHCVNJKBKGMK-MRXNPFEDSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566735564 315370570 /nfs/dbraw/zinc/37/05/70/315370570.db2.gz BBDHCVNJKBKGMK-MRXNPFEDSA-N 2 2 311.429 3.324 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)c[nH+]1 ZINC000566959496 315385842 /nfs/dbraw/zinc/38/58/42/315385842.db2.gz KISTZKHVMMJCIV-UHFFFAOYSA-N 2 2 324.472 3.459 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567114149 315397784 /nfs/dbraw/zinc/39/77/84/315397784.db2.gz DFDZWMXRLSJSER-AWEZNQCLSA-N 2 2 322.880 3.228 20 0 DGADLP Clc1cccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000568166071 315485184 /nfs/dbraw/zinc/48/51/84/315485184.db2.gz CEWBRUOWBBAUMF-UHFFFAOYSA-N 2 2 311.216 3.039 20 0 DGADLP Cc1noc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000568365128 315505954 /nfs/dbraw/zinc/50/59/54/315505954.db2.gz UUCORNCWYDINAV-CQSZACIVSA-N 2 2 314.433 3.215 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCC[C@H]3C)c2cc1C ZINC000568873100 315542743 /nfs/dbraw/zinc/54/27/43/315542743.db2.gz KNBZLLWIOXPOMR-KBRIMQKVSA-N 2 2 315.461 3.040 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000571537127 315728214 /nfs/dbraw/zinc/72/82/14/315728214.db2.gz CSWHVGRHKDUWGL-IRXDYDNUSA-N 2 2 317.477 3.114 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C[C@H](C)O1 ZINC000574010126 315922601 /nfs/dbraw/zinc/92/26/01/315922601.db2.gz NWJVPFCMSICBMS-ALXJQNPVSA-N 2 2 313.445 3.020 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000574836207 316005437 /nfs/dbraw/zinc/00/54/37/316005437.db2.gz ZQMMOSLALDBSQK-IEBWSBKVSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000574836207 316005439 /nfs/dbraw/zinc/00/54/39/316005439.db2.gz ZQMMOSLALDBSQK-IEBWSBKVSA-N 2 2 314.473 3.159 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)nc1 ZINC000574944158 316018456 /nfs/dbraw/zinc/01/84/56/316018456.db2.gz FDYOJLBHBXMDIF-UHFFFAOYSA-N 2 2 324.472 3.451 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)nc1 ZINC000574944158 316018460 /nfs/dbraw/zinc/01/84/60/316018460.db2.gz FDYOJLBHBXMDIF-UHFFFAOYSA-N 2 2 324.472 3.451 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2c(C)cc(Br)cc2C)n1C ZINC000575138412 316037560 /nfs/dbraw/zinc/03/75/60/316037560.db2.gz AXGHYEBDYYMBGV-UHFFFAOYSA-N 2 2 322.250 3.398 20 0 DGADLP CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000575177548 316040577 /nfs/dbraw/zinc/04/05/77/316040577.db2.gz KHKBXPZEGDAXOG-UHFFFAOYSA-N 2 2 314.433 3.089 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692440 316259219 /nfs/dbraw/zinc/25/92/19/316259219.db2.gz OQCDEXJZAHJNJS-LJQANCHMSA-N 2 2 304.478 3.087 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692440 316259221 /nfs/dbraw/zinc/25/92/21/316259221.db2.gz OQCDEXJZAHJNJS-LJQANCHMSA-N 2 2 304.478 3.087 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692440 316259224 /nfs/dbraw/zinc/25/92/24/316259224.db2.gz OQCDEXJZAHJNJS-LJQANCHMSA-N 2 2 304.478 3.087 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000577692440 316259226 /nfs/dbraw/zinc/25/92/26/316259226.db2.gz OQCDEXJZAHJNJS-LJQANCHMSA-N 2 2 304.478 3.087 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000181586428 323260047 /nfs/dbraw/zinc/26/00/47/323260047.db2.gz UWUBQDBGWVAJDY-HZPDHXFCSA-N 2 2 301.434 3.289 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)cn2c1 ZINC000181672642 323263369 /nfs/dbraw/zinc/26/33/69/323263369.db2.gz JKNQRAXVMCRXPV-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)cn2c1 ZINC000181672642 323263372 /nfs/dbraw/zinc/26/33/72/323263372.db2.gz JKNQRAXVMCRXPV-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP CCO[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181405 323328730 /nfs/dbraw/zinc/32/87/30/323328730.db2.gz VLNWYUZJBCTTGR-IRXDYDNUSA-N 2 2 305.466 3.333 20 0 DGADLP CCO[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181405 323328732 /nfs/dbraw/zinc/32/87/32/323328732.db2.gz VLNWYUZJBCTTGR-IRXDYDNUSA-N 2 2 305.466 3.333 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682224 323392486 /nfs/dbraw/zinc/39/24/86/323392486.db2.gz ZVOSHAOYHHCWRH-ZFWWWQNUSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682224 323392489 /nfs/dbraw/zinc/39/24/89/323392489.db2.gz ZVOSHAOYHHCWRH-ZFWWWQNUSA-N 2 2 307.869 3.478 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578314287 323715883 /nfs/dbraw/zinc/71/58/83/323715883.db2.gz HEROELJAYAJTTO-BZUAXINKSA-N 2 2 318.852 3.022 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)ccn1 ZINC000578453151 323736100 /nfs/dbraw/zinc/73/61/00/323736100.db2.gz HSZANKMVEPAYPX-YJBOKZPZSA-N 2 2 313.445 3.352 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000579220716 323839138 /nfs/dbraw/zinc/83/91/38/323839138.db2.gz VSWLACPIGIVCEW-KDOFPFPSSA-N 2 2 315.461 3.045 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@H](c1ccccc1)[NH+](C)C ZINC000581164604 324081810 /nfs/dbraw/zinc/08/18/10/324081810.db2.gz WELWOWVUNLPYSU-AUUYWEPGSA-N 2 2 306.413 3.155 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000581753085 324152919 /nfs/dbraw/zinc/15/29/19/324152919.db2.gz IDXBSMNDIQOYBS-UHFFFAOYSA-N 2 2 313.445 3.044 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000581753085 324152922 /nfs/dbraw/zinc/15/29/22/324152922.db2.gz IDXBSMNDIQOYBS-UHFFFAOYSA-N 2 2 313.445 3.044 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000583018681 324302460 /nfs/dbraw/zinc/30/24/60/324302460.db2.gz BOJLMYLRLYITDV-MAUKXSAKSA-N 2 2 311.429 3.002 20 0 DGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000583198133 324325325 /nfs/dbraw/zinc/32/53/25/324325325.db2.gz ICTDXRMXVFFQIN-MOPGFXCFSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1sccc1Br ZINC000037249488 337362426 /nfs/dbraw/zinc/36/24/26/337362426.db2.gz BKDKSLNROKHDCM-SNVBAGLBSA-N 2 2 314.252 3.448 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1sccc1Br ZINC000037320434 337364628 /nfs/dbraw/zinc/36/46/28/337364628.db2.gz QMFAZNMNCYLULJ-VHSXEESVSA-N 2 2 314.252 3.446 20 0 DGADLP Cc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)c(C)[nH+]1 ZINC000301715118 500998809 /nfs/dbraw/zinc/99/88/09/500998809.db2.gz ZQYZHTLSLOAEFJ-GOSISDBHSA-N 2 2 316.493 3.494 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Br)c1F ZINC000294909973 533893047 /nfs/dbraw/zinc/89/30/47/533893047.db2.gz CAQCMDJMYRCGRF-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422854844 534102258 /nfs/dbraw/zinc/10/22/58/534102258.db2.gz DFAOBOYPLUGKHH-CXAGYDPISA-N 2 2 315.392 3.101 20 0 DGADLP C[C@@]1(C[NH2+]Cc2nc(-c3ccccc3F)cs2)CC[NH2+]C1 ZINC000415093657 534267707 /nfs/dbraw/zinc/26/77/07/534267707.db2.gz CNKPTYXZZXNFPL-MRXNPFEDSA-N 2 2 305.422 3.038 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)s1 ZINC000443603962 534364797 /nfs/dbraw/zinc/36/47/97/534364797.db2.gz MYLIJODKIZAERP-HNNXBMFYSA-N 2 2 316.474 3.397 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)s1 ZINC000443603962 534364803 /nfs/dbraw/zinc/36/48/03/534364803.db2.gz MYLIJODKIZAERP-HNNXBMFYSA-N 2 2 316.474 3.397 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586496 534365401 /nfs/dbraw/zinc/36/54/01/534365401.db2.gz WIHZKQXGKKDNMK-WMLDXEAASA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586496 534365411 /nfs/dbraw/zinc/36/54/11/534365411.db2.gz WIHZKQXGKKDNMK-WMLDXEAASA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000443586496 534365420 /nfs/dbraw/zinc/36/54/20/534365420.db2.gz WIHZKQXGKKDNMK-WMLDXEAASA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000443586496 534365428 /nfs/dbraw/zinc/36/54/28/534365428.db2.gz WIHZKQXGKKDNMK-WMLDXEAASA-N 2 2 305.491 3.209 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC000415053872 534469831 /nfs/dbraw/zinc/46/98/31/534469831.db2.gz PFCOXZARSVQOGH-WMLDXEAASA-N 2 2 304.796 3.324 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccn2)cc1 ZINC000427860478 534496676 /nfs/dbraw/zinc/49/66/76/534496676.db2.gz AHFQBKUSIUBBMZ-LPHOPBHVSA-N 2 2 322.387 3.111 20 0 DGADLP Cc1ccc2[nH+]cc(CN3C[C@H](C)[NH2+]Cc4ccccc43)n2c1 ZINC000415101165 534519640 /nfs/dbraw/zinc/51/96/40/534519640.db2.gz NHRDZCUQTBPHTQ-HNNXBMFYSA-N 2 2 306.413 3.141 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@@H](c4cccnc4)C3)n2c1 ZINC000294976279 534520761 /nfs/dbraw/zinc/52/07/61/534520761.db2.gz JJNINHHFFKWDPP-FUHWJXTLSA-N 2 2 322.412 3.048 20 0 DGADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc21 ZINC000435055808 534528046 /nfs/dbraw/zinc/52/80/46/534528046.db2.gz KIZQAAYGABHLKT-OAHLLOKOSA-N 2 2 311.360 3.355 20 0 DGADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc21 ZINC000435055808 534528057 /nfs/dbraw/zinc/52/80/57/534528057.db2.gz KIZQAAYGABHLKT-OAHLLOKOSA-N 2 2 311.360 3.355 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302072794 534625159 /nfs/dbraw/zinc/62/51/59/534625159.db2.gz ZMBPYRWTRFPJBL-OAHLLOKOSA-N 2 2 302.466 3.196 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@H+](C(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302072794 534625165 /nfs/dbraw/zinc/62/51/65/534625165.db2.gz ZMBPYRWTRFPJBL-OAHLLOKOSA-N 2 2 302.466 3.196 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)on2)cc1 ZINC000428029416 534632287 /nfs/dbraw/zinc/63/22/87/534632287.db2.gz ANTLBFCBSDINLA-BBRMVZONSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)on2)cc1 ZINC000428029416 534632291 /nfs/dbraw/zinc/63/22/91/534632291.db2.gz ANTLBFCBSDINLA-BBRMVZONSA-N 2 2 317.820 3.179 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430971980 534643924 /nfs/dbraw/zinc/64/39/24/534643924.db2.gz QMUOBXFKBYEKNQ-YQQAZPJKSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430971980 534643927 /nfs/dbraw/zinc/64/39/27/534643927.db2.gz QMUOBXFKBYEKNQ-YQQAZPJKSA-N 2 2 317.477 3.115 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C1CCCC1 ZINC000415070000 534675584 /nfs/dbraw/zinc/67/55/84/534675584.db2.gz UBYSZULDOKJLSS-CQSZACIVSA-N 2 2 315.230 3.195 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)C1CCCC1 ZINC000415063658 534677698 /nfs/dbraw/zinc/67/76/98/534677698.db2.gz INNAVSLJAJJSAW-OAHLLOKOSA-N 2 2 301.459 3.417 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2cccs2)s1)C1CCCC1 ZINC000415072402 534677949 /nfs/dbraw/zinc/67/79/49/534677949.db2.gz YDMGSJLOKYZNLJ-CYBMUJFWSA-N 2 2 307.488 3.479 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)C1CCCC1 ZINC000415065337 534678745 /nfs/dbraw/zinc/67/87/45/534678745.db2.gz MPGKMUBYYOXBOU-CQSZACIVSA-N 2 2 307.488 3.479 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccncc1 ZINC000156434545 525372748 /nfs/dbraw/zinc/37/27/48/525372748.db2.gz QZCDPHXEHKABQZ-INIZCTEOSA-N 2 2 306.413 3.220 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000415054708 526620726 /nfs/dbraw/zinc/62/07/26/526620726.db2.gz MOSRGQMMXNMODZ-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000428283361 527419790 /nfs/dbraw/zinc/41/97/90/527419790.db2.gz AISXORJKSMGFMW-OALUTQOASA-N 2 2 308.510 3.413 20 0 DGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000428283361 527419793 /nfs/dbraw/zinc/41/97/93/527419793.db2.gz AISXORJKSMGFMW-OALUTQOASA-N 2 2 308.510 3.413 20 0 DGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1([NH+]2CCCCC2)CCCCC1 ZINC000422756579 527488836 /nfs/dbraw/zinc/48/88/36/527488836.db2.gz LTCASSDDEUDVTQ-JWTNVVGKSA-N 3 2 305.510 3.048 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C[C@@H]1c1ccccc1 ZINC000297477621 527874198 /nfs/dbraw/zinc/87/41/98/527874198.db2.gz YZXHHFBEASDHIZ-GUDVDZBRSA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C[C@@H]1c1ccccc1 ZINC000297477621 527874201 /nfs/dbraw/zinc/87/42/01/527874201.db2.gz YZXHHFBEASDHIZ-GUDVDZBRSA-N 2 2 316.489 3.005 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428888520 528254837 /nfs/dbraw/zinc/25/48/37/528254837.db2.gz ODQPUHLAKIIMQX-LBPRGKRZSA-N 2 2 307.438 3.257 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428888520 528254839 /nfs/dbraw/zinc/25/48/39/528254839.db2.gz ODQPUHLAKIIMQX-LBPRGKRZSA-N 2 2 307.438 3.257 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1F ZINC000415037117 528462218 /nfs/dbraw/zinc/46/22/18/528462218.db2.gz GFMVAZPKEPPNGM-FUHWJXTLSA-N 2 2 314.404 3.070 20 0 DGADLP CC[N@H+](Cc1cc(-c2cccs2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000435624974 528762838 /nfs/dbraw/zinc/76/28/38/528762838.db2.gz GPVOUJVSMOJGLP-CQSZACIVSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1cc(-c2cccs2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000435624974 528762842 /nfs/dbraw/zinc/76/28/42/528762842.db2.gz GPVOUJVSMOJGLP-CQSZACIVSA-N 2 2 305.447 3.367 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000430581459 528859754 /nfs/dbraw/zinc/85/97/54/528859754.db2.gz JCXHPTXFSACNDA-CQSZACIVSA-N 2 2 304.356 3.091 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000429230169 528863000 /nfs/dbraw/zinc/86/30/00/528863000.db2.gz KHVWMOREFPECGI-KRWDZBQOSA-N 3 2 306.498 3.032 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000429230169 528863005 /nfs/dbraw/zinc/86/30/05/528863005.db2.gz KHVWMOREFPECGI-KRWDZBQOSA-N 3 2 306.498 3.032 20 0 DGADLP CCCn1cc[nH+]c1CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000429230169 528863008 /nfs/dbraw/zinc/86/30/08/528863008.db2.gz KHVWMOREFPECGI-KRWDZBQOSA-N 3 2 306.498 3.032 20 0 DGADLP CCCn1cc[nH+]c1CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000429230169 528863011 /nfs/dbraw/zinc/86/30/11/528863011.db2.gz KHVWMOREFPECGI-KRWDZBQOSA-N 3 2 306.498 3.032 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000414208724 529170041 /nfs/dbraw/zinc/17/00/41/529170041.db2.gz MGEXRIBYJHEFGQ-MAUKXSAKSA-N 2 2 304.482 3.036 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423444561 529257890 /nfs/dbraw/zinc/25/78/90/529257890.db2.gz XWKBHVCSJXLQIT-WMLDXEAASA-N 2 2 308.491 3.218 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccn1 ZINC000449397854 535146964 /nfs/dbraw/zinc/14/69/64/535146964.db2.gz SANKFWZLWONMKG-UHFFFAOYSA-N 2 2 324.472 3.008 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000495108087 535239809 /nfs/dbraw/zinc/23/98/09/535239809.db2.gz KYQBAKHMOVWXDO-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000495108087 535239814 /nfs/dbraw/zinc/23/98/14/535239814.db2.gz KYQBAKHMOVWXDO-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000495108087 535239818 /nfs/dbraw/zinc/23/98/18/535239818.db2.gz KYQBAKHMOVWXDO-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000495108087 535239824 /nfs/dbraw/zinc/23/98/24/535239824.db2.gz KYQBAKHMOVWXDO-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488371397 535269441 /nfs/dbraw/zinc/26/94/41/535269441.db2.gz STJYANLQNNCWOR-WBVHZDCISA-N 2 2 301.459 3.492 20 0 DGADLP CCO[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1C ZINC000449496439 535632294 /nfs/dbraw/zinc/63/22/94/535632294.db2.gz JBZLTNZXUHGWTJ-BBRMVZONSA-N 2 2 305.447 3.181 20 0 DGADLP CCO[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1C ZINC000449496439 535632297 /nfs/dbraw/zinc/63/22/97/535632297.db2.gz JBZLTNZXUHGWTJ-BBRMVZONSA-N 2 2 305.447 3.181 20 0 DGADLP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000449405061 535649439 /nfs/dbraw/zinc/64/94/39/535649439.db2.gz WXSWWDAVHOKJSY-TZMCWYRMSA-N 2 2 310.404 3.054 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1(C)C ZINC000451557530 536749825 /nfs/dbraw/zinc/74/98/25/536749825.db2.gz PTCMRHRUVQPDQR-SFHVURJKSA-N 2 2 313.445 3.428 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1(C)C ZINC000451557530 536749829 /nfs/dbraw/zinc/74/98/29/536749829.db2.gz PTCMRHRUVQPDQR-SFHVURJKSA-N 2 2 313.445 3.428 20 0 DGADLP COc1ccc2ccccc2c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494411674 537043473 /nfs/dbraw/zinc/04/34/73/537043473.db2.gz JHLWFABDNRQGIM-HNNXBMFYSA-N 2 2 307.397 3.150 20 0 DGADLP C[C@@H](C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[NH+](C)C ZINC000087435520 545803460 /nfs/dbraw/zinc/80/34/60/545803460.db2.gz HDSLSUJMLZLCGD-LBPRGKRZSA-N 2 2 314.433 3.499 20 0 DGADLP COCCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090171946 545823044 /nfs/dbraw/zinc/82/30/44/545823044.db2.gz LAKUUIQIAHUUOC-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP COCCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090171946 545823049 /nfs/dbraw/zinc/82/30/49/545823049.db2.gz LAKUUIQIAHUUOC-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCOCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000090185479 545823138 /nfs/dbraw/zinc/82/31/38/545823138.db2.gz KYNHXUYIQDZKRZ-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCOCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000090185479 545823144 /nfs/dbraw/zinc/82/31/44/545823144.db2.gz KYNHXUYIQDZKRZ-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188034 545824195 /nfs/dbraw/zinc/82/41/95/545824195.db2.gz DVMIDBLCGNRBRY-MJGOQNOKSA-N 2 2 318.505 3.428 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188034 545824198 /nfs/dbraw/zinc/82/41/98/545824198.db2.gz DVMIDBLCGNRBRY-MJGOQNOKSA-N 2 2 318.505 3.428 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000121325102 545895206 /nfs/dbraw/zinc/89/52/06/545895206.db2.gz NBTWYNZBFVMRLL-ICSRJNTNSA-N 2 2 314.473 3.090 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000121325102 545895211 /nfs/dbraw/zinc/89/52/11/545895211.db2.gz NBTWYNZBFVMRLL-ICSRJNTNSA-N 2 2 314.473 3.090 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134257102 545971954 /nfs/dbraw/zinc/97/19/54/545971954.db2.gz QAGUFGDJDBGKIE-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134257102 545971955 /nfs/dbraw/zinc/97/19/55/545971955.db2.gz QAGUFGDJDBGKIE-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156292829 546033236 /nfs/dbraw/zinc/03/32/36/546033236.db2.gz XDKKSLOPXYYBIF-MRXNPFEDSA-N 2 2 323.440 3.415 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000161648196 546071395 /nfs/dbraw/zinc/07/13/95/546071395.db2.gz MZOUMGDCGAALJL-MELADBBJSA-N 2 2 322.424 3.120 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000161648196 546071398 /nfs/dbraw/zinc/07/13/98/546071398.db2.gz MZOUMGDCGAALJL-MELADBBJSA-N 2 2 322.424 3.120 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000163633875 546082818 /nfs/dbraw/zinc/08/28/18/546082818.db2.gz JGEDQWBZUDSPRZ-MRXNPFEDSA-N 2 2 304.478 3.053 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000163677546 546083118 /nfs/dbraw/zinc/08/31/18/546083118.db2.gz SHOIXFDBYFLKPD-INIZCTEOSA-N 2 2 304.478 3.401 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000163711531 546084204 /nfs/dbraw/zinc/08/42/04/546084204.db2.gz KHTWACZKNGYPSS-KXBFYZLASA-N 2 2 302.462 3.325 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000163710745 546084948 /nfs/dbraw/zinc/08/49/48/546084948.db2.gz CBRWKWZZSRNTIO-CQSZACIVSA-N 2 2 308.491 3.170 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166142841 546093247 /nfs/dbraw/zinc/09/32/47/546093247.db2.gz SSWNJQVNTOIPLH-DLBZAZTESA-N 2 2 315.461 3.119 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166142841 546093252 /nfs/dbraw/zinc/09/32/52/546093252.db2.gz SSWNJQVNTOIPLH-DLBZAZTESA-N 2 2 315.461 3.119 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166142715 546093497 /nfs/dbraw/zinc/09/34/97/546093497.db2.gz SSWNJQVNTOIPLH-IAGOWNOFSA-N 2 2 315.461 3.119 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166142715 546093509 /nfs/dbraw/zinc/09/35/09/546093509.db2.gz SSWNJQVNTOIPLH-IAGOWNOFSA-N 2 2 315.461 3.119 20 0 DGADLP CCc1cc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)nc(C)[nH+]1 ZINC000185484304 546187590 /nfs/dbraw/zinc/18/75/90/546187590.db2.gz FIAMTTNAEBWBPW-CYBMUJFWSA-N 2 2 316.474 3.292 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1[NH3+] ZINC000251526240 546329423 /nfs/dbraw/zinc/32/94/23/546329423.db2.gz ADXNHTPVSVQWKU-SMDDNHRTSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1[NH3+] ZINC000251526240 546329425 /nfs/dbraw/zinc/32/94/25/546329425.db2.gz ADXNHTPVSVQWKU-SMDDNHRTSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000280186030 546381084 /nfs/dbraw/zinc/38/10/84/546381084.db2.gz HOCGPXAAFVXYOQ-RTBURBONSA-N 2 2 313.445 3.285 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2cccc(C)n2)n1-c1ccccc1 ZINC000280697678 546384112 /nfs/dbraw/zinc/38/41/12/546384112.db2.gz WCZKTZIGBPPTOI-UHFFFAOYSA-N 2 2 306.413 3.216 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697925 546408134 /nfs/dbraw/zinc/40/81/34/546408134.db2.gz WZDBUGJEEVAVSA-NVXWUHKLSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697925 546408136 /nfs/dbraw/zinc/40/81/36/546408136.db2.gz WZDBUGJEEVAVSA-NVXWUHKLSA-N 2 2 312.461 3.361 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000294748147 546424065 /nfs/dbraw/zinc/42/40/65/546424065.db2.gz HXPDBMLDZDGQBB-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066848 546531713 /nfs/dbraw/zinc/53/17/13/546531713.db2.gz IENBLYMYHOBIFG-SQNIBIBYSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066848 546531720 /nfs/dbraw/zinc/53/17/20/546531720.db2.gz IENBLYMYHOBIFG-SQNIBIBYSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339066848 546531724 /nfs/dbraw/zinc/53/17/24/546531724.db2.gz IENBLYMYHOBIFG-SQNIBIBYSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339066848 546531728 /nfs/dbraw/zinc/53/17/28/546531728.db2.gz IENBLYMYHOBIFG-SQNIBIBYSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)CCOC ZINC000343697401 546566742 /nfs/dbraw/zinc/56/67/42/546566742.db2.gz YZUXIHMKKRSIMJ-MRXNPFEDSA-N 2 2 305.466 3.045 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)CCOC ZINC000343697401 546566745 /nfs/dbraw/zinc/56/67/45/546566745.db2.gz YZUXIHMKKRSIMJ-MRXNPFEDSA-N 2 2 305.466 3.045 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000381051774 546737255 /nfs/dbraw/zinc/73/72/55/546737255.db2.gz HJEBCQAQKDLITP-IIBYNOLFSA-N 2 2 306.453 3.406 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000381051774 546737262 /nfs/dbraw/zinc/73/72/62/546737262.db2.gz HJEBCQAQKDLITP-IIBYNOLFSA-N 2 2 306.453 3.406 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381072115 546737554 /nfs/dbraw/zinc/73/75/54/546737554.db2.gz PQSBYBLFHQJMGL-IAGOWNOFSA-N 2 2 312.457 3.433 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381072115 546737561 /nfs/dbraw/zinc/73/75/61/546737561.db2.gz PQSBYBLFHQJMGL-IAGOWNOFSA-N 2 2 312.457 3.433 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000401163458 546765452 /nfs/dbraw/zinc/76/54/52/546765452.db2.gz PIOMCXIUEYNDKL-WIYYLYMNSA-N 2 2 323.484 3.351 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000401163458 546765456 /nfs/dbraw/zinc/76/54/56/546765456.db2.gz PIOMCXIUEYNDKL-WIYYLYMNSA-N 2 2 323.484 3.351 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459570998 546893078 /nfs/dbraw/zinc/89/30/78/546893078.db2.gz QGRSSPOKVNLDQE-KXBFYZLASA-N 2 2 322.456 3.107 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459570998 546893086 /nfs/dbraw/zinc/89/30/86/546893086.db2.gz QGRSSPOKVNLDQE-KXBFYZLASA-N 2 2 322.456 3.107 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCOC3CCCCCC3)CC2)c1 ZINC000483550171 546912444 /nfs/dbraw/zinc/91/24/44/546912444.db2.gz ZKGZCQVEFYNPPL-UHFFFAOYSA-N 2 2 317.477 3.251 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1scnc1C1CC1)CCC2 ZINC000487281357 546917660 /nfs/dbraw/zinc/91/76/60/546917660.db2.gz YQFJOGKDUKULAJ-CYBMUJFWSA-N 2 2 302.447 3.193 20 0 DGADLP c1nc(C2CC2)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000494962505 546935856 /nfs/dbraw/zinc/93/58/56/546935856.db2.gz YFAHLFPXVXYHPF-CQSZACIVSA-N 2 2 305.491 3.328 20 0 DGADLP c1nc(C2CC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000494962505 546935861 /nfs/dbraw/zinc/93/58/61/546935861.db2.gz YFAHLFPXVXYHPF-CQSZACIVSA-N 2 2 305.491 3.328 20 0 DGADLP COCc1csc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000667495128 547201203 /nfs/dbraw/zinc/20/12/03/547201203.db2.gz YGAQMNMFWSBLFQ-UHFFFAOYSA-N 2 2 308.491 3.345 20 0 DGADLP c1[nH+]c2n(c1C[NH+]1CCC(COc3ccccc3)CC1)CCC2 ZINC000667535834 547216156 /nfs/dbraw/zinc/21/61/56/547216156.db2.gz KGXBDYWYNQKYSV-UHFFFAOYSA-N 2 2 311.429 3.120 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)n1C ZINC000667563092 547227767 /nfs/dbraw/zinc/22/77/67/547227767.db2.gz URPXCQRRIHOLEZ-OAHLLOKOSA-N 2 2 324.472 3.144 20 0 DGADLP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658781 547262223 /nfs/dbraw/zinc/26/22/23/547262223.db2.gz PZMKCZBMJHKZHE-KRWDZBQOSA-N 2 2 316.493 3.138 20 0 DGADLP Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658781 547262228 /nfs/dbraw/zinc/26/22/28/547262228.db2.gz PZMKCZBMJHKZHE-KRWDZBQOSA-N 2 2 316.493 3.138 20 0 DGADLP Fc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cccc1OC1CC1 ZINC000667663820 547265069 /nfs/dbraw/zinc/26/50/69/547265069.db2.gz XNJMRJSVPWGLQJ-HNNXBMFYSA-N 2 2 318.436 3.285 20 0 DGADLP Fc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cccc1OC1CC1 ZINC000667663820 547265075 /nfs/dbraw/zinc/26/50/75/547265075.db2.gz XNJMRJSVPWGLQJ-HNNXBMFYSA-N 2 2 318.436 3.285 20 0 DGADLP c1[nH+]c2n(c1C[N@H+]1CC[C@H](CSc3ccccc3)C1)CCC2 ZINC000667677151 547271640 /nfs/dbraw/zinc/27/16/40/547271640.db2.gz KIHJVPUHDHHVKR-HNNXBMFYSA-N 2 2 313.470 3.444 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@H](CSc3ccccc3)C1)CCC2 ZINC000667677151 547271642 /nfs/dbraw/zinc/27/16/42/547271642.db2.gz KIHJVPUHDHHVKR-HNNXBMFYSA-N 2 2 313.470 3.444 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OC2CC2)c1F ZINC000668168208 547400204 /nfs/dbraw/zinc/40/02/04/547400204.db2.gz RBVTVUYFPGIAKA-UHFFFAOYSA-N 2 2 303.381 3.086 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OC2CC2)c1F ZINC000668168208 547400208 /nfs/dbraw/zinc/40/02/08/547400208.db2.gz RBVTVUYFPGIAKA-UHFFFAOYSA-N 2 2 303.381 3.086 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)n1C ZINC000668226458 547421989 /nfs/dbraw/zinc/42/19/89/547421989.db2.gz MOYYLKXAYCYEFR-UHFFFAOYSA-N 2 2 319.399 3.461 20 0 DGADLP c1cc(N2CCC(Nc3c[nH+]cc4c3CCCC4)CC2)cc[nH+]1 ZINC000668440158 547455741 /nfs/dbraw/zinc/45/57/41/547455741.db2.gz JICOSNIBKNXOMS-UHFFFAOYSA-N 2 2 308.429 3.436 20 0 DGADLP C[C@@H](C[N@H+](C)CC1C[NH+](C)C1)c1cccc(Br)c1 ZINC000668540056 547474710 /nfs/dbraw/zinc/47/47/10/547474710.db2.gz VJOVQJUTIKJTGE-LBPRGKRZSA-N 2 2 311.267 3.046 20 0 DGADLP C[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)c1cccc(Br)c1 ZINC000668540056 547474716 /nfs/dbraw/zinc/47/47/16/547474716.db2.gz VJOVQJUTIKJTGE-LBPRGKRZSA-N 2 2 311.267 3.046 20 0 DGADLP C[N@H+](CCCc1c(Cl)cccc1Cl)CC1C[NH+](C)C1 ZINC000668539647 547475506 /nfs/dbraw/zinc/47/55/06/547475506.db2.gz GHVXLSNJHOFDMQ-UHFFFAOYSA-N 2 2 301.261 3.419 20 0 DGADLP C[N@@H+](CCCc1c(Cl)cccc1Cl)CC1C[NH+](C)C1 ZINC000668539647 547475510 /nfs/dbraw/zinc/47/55/10/547475510.db2.gz GHVXLSNJHOFDMQ-UHFFFAOYSA-N 2 2 301.261 3.419 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)nn1C ZINC000669700390 547674139 /nfs/dbraw/zinc/67/41/39/547674139.db2.gz ZNCDNVPZXVTONE-QAPCUYQASA-N 2 2 323.444 3.097 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985178 547767532 /nfs/dbraw/zinc/76/75/32/547767532.db2.gz CQEKHTUDILCAJZ-MOPGFXCFSA-N 2 2 302.462 3.324 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985178 547767535 /nfs/dbraw/zinc/76/75/35/547767535.db2.gz CQEKHTUDILCAJZ-MOPGFXCFSA-N 2 2 302.462 3.324 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000671120653 547771160 /nfs/dbraw/zinc/77/11/60/547771160.db2.gz BPRJEMPVPUPABI-QAPCUYQASA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000671120653 547771164 /nfs/dbraw/zinc/77/11/64/547771164.db2.gz BPRJEMPVPUPABI-QAPCUYQASA-N 2 2 304.478 3.300 20 0 DGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671148298 547771889 /nfs/dbraw/zinc/77/18/89/547771889.db2.gz QLDASABDNZFXFU-HNNXBMFYSA-N 2 2 303.356 3.275 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000671296299 547784670 /nfs/dbraw/zinc/78/46/70/547784670.db2.gz VMKDHKKVAZPBIQ-XFHUWUJUSA-N 2 2 314.473 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671296299 547784672 /nfs/dbraw/zinc/78/46/72/547784672.db2.gz VMKDHKKVAZPBIQ-XFHUWUJUSA-N 2 2 314.473 3.261 20 0 DGADLP COC1CC[NH+](CCNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000672232380 547866528 /nfs/dbraw/zinc/86/65/28/547866528.db2.gz FHQQQUZROVNMCW-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000672240342 547867909 /nfs/dbraw/zinc/86/79/09/547867909.db2.gz SLQRSQCDJZWHBH-ABAIWWIYSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000672240342 547867912 /nfs/dbraw/zinc/86/79/12/547867912.db2.gz SLQRSQCDJZWHBH-ABAIWWIYSA-N 2 2 305.809 3.019 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000673436068 547960482 /nfs/dbraw/zinc/96/04/82/547960482.db2.gz PVLVWDYMPHOCGA-UHFFFAOYSA-N 2 2 322.412 3.428 20 0 DGADLP FC1(F)CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000673617858 547974794 /nfs/dbraw/zinc/97/47/94/547974794.db2.gz LKGMRZICRUWHBN-QGZVFWFLSA-N 2 2 324.415 3.439 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000673701451 547984129 /nfs/dbraw/zinc/98/41/29/547984129.db2.gz YBNWIGWCYXPRKO-CRAIPNDOSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000673701451 547984132 /nfs/dbraw/zinc/98/41/32/547984132.db2.gz YBNWIGWCYXPRKO-CRAIPNDOSA-N 2 2 320.440 3.316 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000674864101 548126840 /nfs/dbraw/zinc/12/68/40/548126840.db2.gz ZPEZWTMJSLALAY-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000674864101 548126844 /nfs/dbraw/zinc/12/68/44/548126844.db2.gz ZPEZWTMJSLALAY-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000674864096 548127569 /nfs/dbraw/zinc/12/75/69/548127569.db2.gz ZPEZWTMJSLALAY-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000674864096 548127574 /nfs/dbraw/zinc/12/75/74/548127574.db2.gz ZPEZWTMJSLALAY-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCN(c4ccccc4)C3)[nH+]c12 ZINC000674882127 548129626 /nfs/dbraw/zinc/12/96/26/548129626.db2.gz YUTGJDOLGABNEM-KRWDZBQOSA-N 2 2 320.440 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000675102331 548152498 /nfs/dbraw/zinc/15/24/98/548152498.db2.gz WHVDNQLDPPGKQH-WBVHZDCISA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000675102331 548152502 /nfs/dbraw/zinc/15/25/02/548152502.db2.gz WHVDNQLDPPGKQH-WBVHZDCISA-N 2 2 320.440 3.316 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)c2ccccc2)cc1 ZINC000675730498 548260210 /nfs/dbraw/zinc/26/02/10/548260210.db2.gz VFVBHSBMESTRHG-UIAACRFSSA-N 2 2 310.441 3.324 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c2ccccc2)cc1 ZINC000675730498 548260214 /nfs/dbraw/zinc/26/02/14/548260214.db2.gz VFVBHSBMESTRHG-UIAACRFSSA-N 2 2 310.441 3.324 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000675741245 548262816 /nfs/dbraw/zinc/26/28/16/548262816.db2.gz GMQQWMSLVAXQRM-DOTOQJQBSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000675741245 548262819 /nfs/dbraw/zinc/26/28/19/548262819.db2.gz GMQQWMSLVAXQRM-DOTOQJQBSA-N 2 2 311.429 3.446 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675766063 548266130 /nfs/dbraw/zinc/26/61/30/548266130.db2.gz HIVILEKREHFQLR-CRAIPNDOSA-N 2 2 317.477 3.211 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675766063 548266136 /nfs/dbraw/zinc/26/61/36/548266136.db2.gz HIVILEKREHFQLR-CRAIPNDOSA-N 2 2 317.477 3.211 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000675766319 548267347 /nfs/dbraw/zinc/26/73/47/548267347.db2.gz JBFLCGCZBLMDMC-AAEUAGOBSA-N 2 2 314.376 3.041 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000675766319 548267348 /nfs/dbraw/zinc/26/73/48/548267348.db2.gz JBFLCGCZBLMDMC-AAEUAGOBSA-N 2 2 314.376 3.041 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000675834568 548280592 /nfs/dbraw/zinc/28/05/92/548280592.db2.gz WXHVJIGGBQBJAZ-VQIMIIECSA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000675834568 548280594 /nfs/dbraw/zinc/28/05/94/548280594.db2.gz WXHVJIGGBQBJAZ-VQIMIIECSA-N 2 2 300.446 3.147 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000675924496 548294040 /nfs/dbraw/zinc/29/40/40/548294040.db2.gz KEMXEVMINKAHHA-MLGOLLRUSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000675924496 548294042 /nfs/dbraw/zinc/29/40/42/548294042.db2.gz KEMXEVMINKAHHA-MLGOLLRUSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077231 548318298 /nfs/dbraw/zinc/31/82/98/548318298.db2.gz MNMMJVWPOAVQIS-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077231 548318301 /nfs/dbraw/zinc/31/83/01/548318301.db2.gz MNMMJVWPOAVQIS-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)[C@@H]3CCCCO3)n2c1 ZINC000676418821 548361690 /nfs/dbraw/zinc/36/16/90/548361690.db2.gz IPFHFDQDJFOWNW-INIZCTEOSA-N 2 2 301.434 3.328 20 0 DGADLP Cc1nc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000676488099 548368754 /nfs/dbraw/zinc/36/87/54/548368754.db2.gz BHALTTATJVFFNV-NSHDSACASA-N 2 2 304.463 3.186 20 0 DGADLP Cc1nc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(C)s1 ZINC000676491010 548368944 /nfs/dbraw/zinc/36/89/44/548368944.db2.gz VKGWLMDUHSAURO-NSHDSACASA-N 2 2 300.431 3.301 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000676571215 548382115 /nfs/dbraw/zinc/38/21/15/548382115.db2.gz BTCLMHBANBACGB-DSLXNQLJSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000676571215 548382119 /nfs/dbraw/zinc/38/21/19/548382119.db2.gz BTCLMHBANBACGB-DSLXNQLJSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2[nH+]1 ZINC000676688070 548395085 /nfs/dbraw/zinc/39/50/85/548395085.db2.gz GDTIQDKHTHKJGT-QGZVFWFLSA-N 2 2 312.417 3.217 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2[nH+]1 ZINC000676688070 548395089 /nfs/dbraw/zinc/39/50/89/548395089.db2.gz GDTIQDKHTHKJGT-QGZVFWFLSA-N 2 2 312.417 3.217 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c1 ZINC000677130677 548456957 /nfs/dbraw/zinc/45/69/57/548456957.db2.gz VQCYRPUQBLHXJU-IBGZPJMESA-N 2 2 313.445 3.283 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000677153286 548460287 /nfs/dbraw/zinc/46/02/87/548460287.db2.gz OMLQFMGGADQBTG-AWEZNQCLSA-N 2 2 303.381 3.059 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749000 548549415 /nfs/dbraw/zinc/54/94/15/548549415.db2.gz GABBYANIOYFXOC-XKGZKEIXSA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749000 548549419 /nfs/dbraw/zinc/54/94/19/548549419.db2.gz GABBYANIOYFXOC-XKGZKEIXSA-N 2 2 318.505 3.426 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677748983 548549721 /nfs/dbraw/zinc/54/97/21/548549721.db2.gz FKCWESGXOYSLHH-PKOBYXMFSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677748983 548549723 /nfs/dbraw/zinc/54/97/23/548549723.db2.gz FKCWESGXOYSLHH-PKOBYXMFSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000678077957 548608267 /nfs/dbraw/zinc/60/82/67/548608267.db2.gz CJXYAYFKIRLMNQ-PKOBYXMFSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000678077957 548608274 /nfs/dbraw/zinc/60/82/74/548608274.db2.gz CJXYAYFKIRLMNQ-PKOBYXMFSA-N 2 2 313.445 3.462 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078516 548608865 /nfs/dbraw/zinc/60/88/65/548608865.db2.gz CMQKMWYGTLLMEZ-MXWKQRLJSA-N 2 2 318.305 3.143 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078516 548608867 /nfs/dbraw/zinc/60/88/67/548608867.db2.gz CMQKMWYGTLLMEZ-MXWKQRLJSA-N 2 2 318.305 3.143 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078516 548608868 /nfs/dbraw/zinc/60/88/68/548608868.db2.gz CMQKMWYGTLLMEZ-MXWKQRLJSA-N 2 2 318.305 3.143 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078516 548608870 /nfs/dbraw/zinc/60/88/70/548608870.db2.gz CMQKMWYGTLLMEZ-MXWKQRLJSA-N 2 2 318.305 3.143 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000678217053 548641514 /nfs/dbraw/zinc/64/15/14/548641514.db2.gz LUPANYSODIOIOS-DLBZAZTESA-N 2 2 300.446 3.113 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000678217053 548641518 /nfs/dbraw/zinc/64/15/18/548641518.db2.gz LUPANYSODIOIOS-DLBZAZTESA-N 2 2 300.446 3.113 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678234641 548648349 /nfs/dbraw/zinc/64/83/49/548648349.db2.gz HZMBPMYBCVNJIR-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678234641 548648352 /nfs/dbraw/zinc/64/83/52/548648352.db2.gz HZMBPMYBCVNJIR-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678235405 548648370 /nfs/dbraw/zinc/64/83/70/548648370.db2.gz JHBCPOLLNZQADE-AWEZNQCLSA-N 2 2 304.463 3.375 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678235405 548648373 /nfs/dbraw/zinc/64/83/73/548648373.db2.gz JHBCPOLLNZQADE-AWEZNQCLSA-N 2 2 304.463 3.375 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000678235664 548648639 /nfs/dbraw/zinc/64/86/39/548648639.db2.gz MIPVPHYXUYOYPE-QGZVFWFLSA-N 2 2 307.401 3.110 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000678235664 548648641 /nfs/dbraw/zinc/64/86/41/548648641.db2.gz MIPVPHYXUYOYPE-QGZVFWFLSA-N 2 2 307.401 3.110 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678234480 548649351 /nfs/dbraw/zinc/64/93/51/548649351.db2.gz GDLKDKHHOYIICO-MRXNPFEDSA-N 2 2 315.417 3.128 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678234480 548649352 /nfs/dbraw/zinc/64/93/52/548649352.db2.gz GDLKDKHHOYIICO-MRXNPFEDSA-N 2 2 315.417 3.128 20 0 DGADLP CCn1c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235414 548649434 /nfs/dbraw/zinc/64/94/34/548649434.db2.gz JLODEFUMYDXNAB-HNNXBMFYSA-N 2 2 309.417 3.090 20 0 DGADLP CCn1c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235414 548649437 /nfs/dbraw/zinc/64/94/37/548649437.db2.gz JLODEFUMYDXNAB-HNNXBMFYSA-N 2 2 309.417 3.090 20 0 DGADLP Cn1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340604 548683143 /nfs/dbraw/zinc/68/31/43/548683143.db2.gz XIUDVCDTEIFETF-KXBFYZLASA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340604 548683144 /nfs/dbraw/zinc/68/31/44/548683144.db2.gz XIUDVCDTEIFETF-KXBFYZLASA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000678340604 548683147 /nfs/dbraw/zinc/68/31/47/548683147.db2.gz XIUDVCDTEIFETF-KXBFYZLASA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccccc21 ZINC000678340604 548683151 /nfs/dbraw/zinc/68/31/51/548683151.db2.gz XIUDVCDTEIFETF-KXBFYZLASA-N 2 2 324.472 3.022 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000678497379 548716605 /nfs/dbraw/zinc/71/66/05/548716605.db2.gz CCAXTSYRQUQEMF-OTBHMBEGSA-N 2 2 316.489 3.323 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678497379 548716611 /nfs/dbraw/zinc/71/66/11/548716611.db2.gz CCAXTSYRQUQEMF-OTBHMBEGSA-N 2 2 316.489 3.323 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000678771751 548760021 /nfs/dbraw/zinc/76/00/21/548760021.db2.gz YWYYMKAMVFBBSM-ZTFGCOKTSA-N 2 2 304.503 3.337 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C(C(C)C)C(C)C)c2cc1C ZINC000678900767 548789839 /nfs/dbraw/zinc/78/98/39/548789839.db2.gz YRARBOCSOOIOJB-INIZCTEOSA-N 2 2 317.477 3.284 20 0 DGADLP FC(F)(F)c1cccnc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000678918466 548791904 /nfs/dbraw/zinc/79/19/04/548791904.db2.gz QWYBLAMKYHAQQY-UHFFFAOYSA-N 2 2 313.367 3.207 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1F ZINC000678945513 548798942 /nfs/dbraw/zinc/79/89/42/548798942.db2.gz OLLHNTYNRONVMU-UKRRQHHQSA-N 2 2 324.415 3.259 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)[nH]1 ZINC000678971090 548803377 /nfs/dbraw/zinc/80/33/77/548803377.db2.gz FTECFOQXJNRTNH-LBPRGKRZSA-N 2 2 302.447 3.125 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)[nH]1 ZINC000678971090 548803380 /nfs/dbraw/zinc/80/33/80/548803380.db2.gz FTECFOQXJNRTNH-LBPRGKRZSA-N 2 2 302.447 3.125 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000678983604 548806544 /nfs/dbraw/zinc/80/65/44/548806544.db2.gz SMFFLGMUVLAJTH-ZDUSSCGKSA-N 2 2 302.447 3.056 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000678983604 548806548 /nfs/dbraw/zinc/80/65/48/548806548.db2.gz SMFFLGMUVLAJTH-ZDUSSCGKSA-N 2 2 302.447 3.056 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000678992604 548809129 /nfs/dbraw/zinc/80/91/29/548809129.db2.gz MJJGELPDNLFPLA-UKRRQHHQSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000678992604 548809133 /nfs/dbraw/zinc/80/91/33/548809133.db2.gz MJJGELPDNLFPLA-UKRRQHHQSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042648 548821541 /nfs/dbraw/zinc/82/15/41/548821541.db2.gz CDAWTICYMIQXBB-FXAWDEMLSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042648 548821545 /nfs/dbraw/zinc/82/15/45/548821545.db2.gz CDAWTICYMIQXBB-FXAWDEMLSA-N 2 2 316.489 3.182 20 0 DGADLP COc1ccc[nH+]c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000679086331 548828098 /nfs/dbraw/zinc/82/80/98/548828098.db2.gz JRHIYUFYGGOIJW-UHFFFAOYSA-N 2 2 311.429 3.209 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)c1c[nH]nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000679330788 548878925 /nfs/dbraw/zinc/87/89/25/548878925.db2.gz ROAGGALBUSEAEJ-KBXCAEBGSA-N 2 2 312.461 3.206 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)c1c[nH]nc1C)[N@H+]1CCc2ccccc2C1 ZINC000679330788 548878930 /nfs/dbraw/zinc/87/89/30/548878930.db2.gz ROAGGALBUSEAEJ-KBXCAEBGSA-N 2 2 312.461 3.206 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCCOC1 ZINC000679576625 548919940 /nfs/dbraw/zinc/91/99/40/548919940.db2.gz YOKQIZJZBNSDJB-WDSOQIARSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCCOC1 ZINC000679576625 548919943 /nfs/dbraw/zinc/91/99/43/548919943.db2.gz YOKQIZJZBNSDJB-WDSOQIARSA-N 2 2 316.489 3.444 20 0 DGADLP c1cc([C@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n[nH]1 ZINC000680327865 549028552 /nfs/dbraw/zinc/02/85/52/549028552.db2.gz YSOADSGCRHGIGM-ZDUSSCGKSA-N 2 2 313.430 3.037 20 0 DGADLP c1cc([C@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)n[nH]1 ZINC000680327865 549028558 /nfs/dbraw/zinc/02/85/58/549028558.db2.gz YSOADSGCRHGIGM-ZDUSSCGKSA-N 2 2 313.430 3.037 20 0 DGADLP CC1(C)CC[C@@H]([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000680345313 549034543 /nfs/dbraw/zinc/03/45/43/549034543.db2.gz AFYACJLSCNHTQV-UYAOXDASSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)CC[C@@H]([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000680345313 549034551 /nfs/dbraw/zinc/03/45/51/549034551.db2.gz AFYACJLSCNHTQV-UYAOXDASSA-N 2 2 316.489 3.182 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000680464100 549054830 /nfs/dbraw/zinc/05/48/30/549054830.db2.gz DPDFQPNNBULWHD-GOSISDBHSA-N 2 2 322.880 3.418 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1nc(C(F)(F)F)cs1 ZINC000681054175 549153514 /nfs/dbraw/zinc/15/35/14/549153514.db2.gz MDHSAQJNOAEZJP-RKDXNWHRSA-N 2 2 316.352 3.024 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000682732783 549364624 /nfs/dbraw/zinc/36/46/24/549364624.db2.gz PXHCSAGDKCHJBF-KXBFYZLASA-N 2 2 314.473 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000682732783 549364626 /nfs/dbraw/zinc/36/46/26/549364626.db2.gz PXHCSAGDKCHJBF-KXBFYZLASA-N 2 2 314.473 3.492 20 0 DGADLP Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000683474849 549491475 /nfs/dbraw/zinc/49/14/75/549491475.db2.gz QIXKWWOLPKWTDB-GOSISDBHSA-N 2 2 319.408 3.225 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000683897758 549552796 /nfs/dbraw/zinc/55/27/96/549552796.db2.gz HLJRGSPGJDOHRL-QGZVFWFLSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000683897758 549552799 /nfs/dbraw/zinc/55/27/99/549552799.db2.gz HLJRGSPGJDOHRL-QGZVFWFLSA-N 2 2 305.466 3.379 20 0 DGADLP CC(C)Sc1cccc(Cl)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000684362669 549618462 /nfs/dbraw/zinc/61/84/62/549618462.db2.gz VNKHEEDTBOGDPA-STQMWFEESA-N 2 2 310.894 3.492 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000684362984 549618714 /nfs/dbraw/zinc/61/87/14/549618714.db2.gz ZQAJIGDJRUXAHB-WMZOPIPTSA-N 2 2 317.477 3.116 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000684362981 549618758 /nfs/dbraw/zinc/61/87/58/549618758.db2.gz ZQAJIGDJRUXAHB-FUHWJXTLSA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCC[C@H](OC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684369061 549619996 /nfs/dbraw/zinc/61/99/96/549619996.db2.gz WYTXYMWJIQIBQH-ZCNNSNEGSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCC[C@H](OC)C1)[N@H+]1CCc2ccccc2C1 ZINC000684369061 549619999 /nfs/dbraw/zinc/61/99/99/549619999.db2.gz WYTXYMWJIQIBQH-ZCNNSNEGSA-N 2 2 316.489 3.371 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000684560922 549660130 /nfs/dbraw/zinc/66/01/30/549660130.db2.gz ULARILRLLZJTFL-RTBURBONSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000684560922 549660133 /nfs/dbraw/zinc/66/01/33/549660133.db2.gz ULARILRLLZJTFL-RTBURBONSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]1CCN(c2cc[nH+]c3c(O)cccc23)C[C@@H]1n1cc[nH+]c1 ZINC000684576150 549663193 /nfs/dbraw/zinc/66/31/93/549663193.db2.gz LFKKQEJLKLWJOO-BBRMVZONSA-N 2 2 308.385 3.224 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684618688 549669710 /nfs/dbraw/zinc/66/97/10/549669710.db2.gz RHXQGOPCNUJMDH-OAHLLOKOSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684618688 549669713 /nfs/dbraw/zinc/66/97/13/549669713.db2.gz RHXQGOPCNUJMDH-OAHLLOKOSA-N 2 2 305.809 3.382 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000684952974 549723681 /nfs/dbraw/zinc/72/36/81/549723681.db2.gz BKSXRWSFVLWWEL-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000684952974 549723682 /nfs/dbraw/zinc/72/36/82/549723682.db2.gz BKSXRWSFVLWWEL-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP CC(C)C[C@H](C)CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000685425600 549758076 /nfs/dbraw/zinc/75/80/76/549758076.db2.gz NMKZGQFLGYQTIO-DOTOQJQBSA-N 2 2 304.482 3.316 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000685452367 549762461 /nfs/dbraw/zinc/76/24/61/549762461.db2.gz UFMAQPIPORYUQZ-UHFFFAOYSA-N 2 2 306.784 3.325 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000685452367 549762466 /nfs/dbraw/zinc/76/24/66/549762466.db2.gz UFMAQPIPORYUQZ-UHFFFAOYSA-N 2 2 306.784 3.325 20 0 DGADLP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561703 549774140 /nfs/dbraw/zinc/77/41/40/549774140.db2.gz AYICWTYXUKRMMM-DOTOQJQBSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561703 549774143 /nfs/dbraw/zinc/77/41/43/549774143.db2.gz AYICWTYXUKRMMM-DOTOQJQBSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561703 549774145 /nfs/dbraw/zinc/77/41/45/549774145.db2.gz AYICWTYXUKRMMM-DOTOQJQBSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561703 549774149 /nfs/dbraw/zinc/77/41/49/549774149.db2.gz AYICWTYXUKRMMM-DOTOQJQBSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561715 549774205 /nfs/dbraw/zinc/77/42/05/549774205.db2.gz AYICWTYXUKRMMM-NVXWUHKLSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561715 549774208 /nfs/dbraw/zinc/77/42/08/549774208.db2.gz AYICWTYXUKRMMM-NVXWUHKLSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561715 549774212 /nfs/dbraw/zinc/77/42/12/549774212.db2.gz AYICWTYXUKRMMM-NVXWUHKLSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1ccc(C)o1 ZINC000685561715 549774213 /nfs/dbraw/zinc/77/42/13/549774213.db2.gz AYICWTYXUKRMMM-NVXWUHKLSA-N 2 2 308.466 3.206 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000685573588 549776516 /nfs/dbraw/zinc/77/65/16/549776516.db2.gz WOMQBAZWJKAZRO-KBXCAEBGSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000685573588 549776521 /nfs/dbraw/zinc/77/65/21/549776521.db2.gz WOMQBAZWJKAZRO-KBXCAEBGSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(C2CC2)[nH+]1 ZINC000734834718 574680101 /nfs/dbraw/zinc/68/01/01/574680101.db2.gz FSIDVCFRZVWNQX-UHFFFAOYSA-N 2 2 305.385 3.460 20 0 DGADLP c1csc(-c2ccn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000738158670 574860133 /nfs/dbraw/zinc/86/01/33/574860133.db2.gz OTCSGXMBHPZMSJ-CQSZACIVSA-N 2 2 313.430 3.103 20 0 DGADLP c1csc(-c2ccn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000738158670 574860136 /nfs/dbraw/zinc/86/01/36/574860136.db2.gz OTCSGXMBHPZMSJ-CQSZACIVSA-N 2 2 313.430 3.103 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000743871903 575067717 /nfs/dbraw/zinc/06/77/17/575067717.db2.gz BCPKPBIMYVCGCU-BQFCYCMXSA-N 2 2 320.477 3.072 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000743871903 575067719 /nfs/dbraw/zinc/06/77/19/575067719.db2.gz BCPKPBIMYVCGCU-BQFCYCMXSA-N 2 2 320.477 3.072 20 0 DGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000729266468 575231751 /nfs/dbraw/zinc/23/17/51/575231751.db2.gz FPOUZMQMQVTZTG-MRXNPFEDSA-N 2 2 323.396 3.135 20 0 DGADLP Cc1ccc2c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000729266468 575231753 /nfs/dbraw/zinc/23/17/53/575231753.db2.gz FPOUZMQMQVTZTG-MRXNPFEDSA-N 2 2 323.396 3.135 20 0 DGADLP O=C(CCCC[NH+]1CCCC1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000729351638 575237884 /nfs/dbraw/zinc/23/78/84/575237884.db2.gz BRXGVCRFROAXOD-UHFFFAOYSA-N 2 2 312.417 3.281 20 0 DGADLP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984282 575426451 /nfs/dbraw/zinc/42/64/51/575426451.db2.gz HLKJYKUAZLWUEL-HNNXBMFYSA-N 2 2 320.481 3.064 20 0 DGADLP C[NH+](C)Cc1ccc(-c2noc(-c3ccc4[nH+]ccn4c3)n2)cc1 ZINC000747861644 575546960 /nfs/dbraw/zinc/54/69/60/575546960.db2.gz DGBVXHJUDRJFLR-UHFFFAOYSA-N 2 2 319.368 3.113 20 0 DGADLP Fc1cccc([C@H]2CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000750058043 575700489 /nfs/dbraw/zinc/70/04/89/575700489.db2.gz PZYILKDOGQPKCC-QGZVFWFLSA-N 2 2 308.360 3.353 20 0 DGADLP Fc1cccc([C@H]2CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000750058043 575700491 /nfs/dbraw/zinc/70/04/91/575700491.db2.gz PZYILKDOGQPKCC-QGZVFWFLSA-N 2 2 308.360 3.353 20 0 DGADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000725879367 575947967 /nfs/dbraw/zinc/94/79/67/575947967.db2.gz RBUJJHZYLCULOV-UHFFFAOYSA-N 2 2 309.373 3.001 20 0 DGADLP CC[N@H+](Cc1ncc(Cl)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759014 576143671 /nfs/dbraw/zinc/14/36/71/576143671.db2.gz MGSBZPGEDGTMKY-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP CC[N@@H+](Cc1ncc(Cl)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759014 576143677 /nfs/dbraw/zinc/14/36/77/576143677.db2.gz MGSBZPGEDGTMKY-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000727931140 576154999 /nfs/dbraw/zinc/15/49/99/576154999.db2.gz JBRQBNLIUOAVJE-UHFFFAOYSA-N 2 2 322.321 3.156 20 0 DGADLP CO[C@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CCCCC1 ZINC000852748334 620645879 /nfs/dbraw/zinc/64/58/79/620645879.db2.gz RUCNOQMGYUXDNS-IPMKNSEASA-N 2 2 302.462 3.008 20 0 DGADLP CO[C@H](C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CCCCC1 ZINC000852748334 620645882 /nfs/dbraw/zinc/64/58/82/620645882.db2.gz RUCNOQMGYUXDNS-IPMKNSEASA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnn1C1CCC1 ZINC000926337650 617948229 /nfs/dbraw/zinc/94/82/29/617948229.db2.gz QQVVHWUDDBXMTR-HPUBIQBYSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnn1C1CCC1 ZINC000926337651 617948522 /nfs/dbraw/zinc/94/85/22/617948522.db2.gz QQVVHWUDDBXMTR-UQPPLGOBSA-N 2 2 302.466 3.276 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)n1 ZINC000891920980 617926782 /nfs/dbraw/zinc/92/67/82/617926782.db2.gz MOZLEOIUHJGTML-GOSISDBHSA-N 2 2 318.509 3.299 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)n1 ZINC000891920980 617926784 /nfs/dbraw/zinc/92/67/84/617926784.db2.gz MOZLEOIUHJGTML-GOSISDBHSA-N 2 2 318.509 3.299 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103514 617962565 /nfs/dbraw/zinc/96/25/65/617962565.db2.gz JZEOWAKNOYUFMF-RHSMWYFYSA-N 2 2 306.498 3.385 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103514 617962567 /nfs/dbraw/zinc/96/25/67/617962567.db2.gz JZEOWAKNOYUFMF-RHSMWYFYSA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103514 617962569 /nfs/dbraw/zinc/96/25/69/617962569.db2.gz JZEOWAKNOYUFMF-RHSMWYFYSA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103514 617962572 /nfs/dbraw/zinc/96/25/72/617962572.db2.gz JZEOWAKNOYUFMF-RHSMWYFYSA-N 2 2 306.498 3.385 20 0 DGADLP FC(F)(F)Cc1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000892462485 618071708 /nfs/dbraw/zinc/07/17/08/618071708.db2.gz PRFUZDHIQNNRNZ-UHFFFAOYSA-N 2 2 321.412 3.214 20 0 DGADLP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000920094579 620782543 /nfs/dbraw/zinc/78/25/43/620782543.db2.gz GHQLMPYOVJAXFD-WBVHZDCISA-N 2 2 316.445 3.272 20 0 DGADLP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000920094579 620782546 /nfs/dbraw/zinc/78/25/46/620782546.db2.gz GHQLMPYOVJAXFD-WBVHZDCISA-N 2 2 316.445 3.272 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925070009 618309901 /nfs/dbraw/zinc/30/99/01/618309901.db2.gz JCVQKWUNJDMDLE-UFYCRDLUSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925070009 618309911 /nfs/dbraw/zinc/30/99/11/618309911.db2.gz JCVQKWUNJDMDLE-UFYCRDLUSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cccc2sc(NCC[NH+]3CCC([NH+](C)C)CC3)nc21 ZINC000892816946 618317546 /nfs/dbraw/zinc/31/75/46/618317546.db2.gz ZAQQSCPSYWIOFX-UHFFFAOYSA-N 2 2 318.490 3.043 20 0 DGADLP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000925074404 618355116 /nfs/dbraw/zinc/35/51/16/618355116.db2.gz WKDDSTXOVMLPEZ-VHBXLISGSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000925074404 618355119 /nfs/dbraw/zinc/35/51/19/618355119.db2.gz WKDDSTXOVMLPEZ-VHBXLISGSA-N 2 2 314.473 3.198 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000893098516 618424123 /nfs/dbraw/zinc/42/41/23/618424123.db2.gz PTPVAMQEXOBIQS-WBVHZDCISA-N 2 2 314.429 3.431 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000893098516 618424127 /nfs/dbraw/zinc/42/41/27/618424127.db2.gz PTPVAMQEXOBIQS-WBVHZDCISA-N 2 2 314.429 3.431 20 0 DGADLP COc1ccc(CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])cc1F ZINC000925480585 620804671 /nfs/dbraw/zinc/80/46/71/620804671.db2.gz WRISEBUKHNRLRZ-UGSOOPFHSA-N 2 2 302.393 3.055 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925515105 618452798 /nfs/dbraw/zinc/45/27/98/618452798.db2.gz DKZZKMWLMPAVOT-JCURWCKSSA-N 2 2 304.821 3.052 20 0 DGADLP c1cn2c([nH+]1)C[C@H](Nc1[nH+]ccc3c4c([nH]c31)CCCC4)CC2 ZINC000893266986 618490828 /nfs/dbraw/zinc/49/08/28/618490828.db2.gz VEWWZNOOSNUOKG-GFCCVEGCSA-N 2 2 307.401 3.065 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925569362 618496009 /nfs/dbraw/zinc/49/60/09/618496009.db2.gz PSCSISOMRTXSOI-MAZHCROVSA-N 2 2 308.853 3.290 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925569363 618496127 /nfs/dbraw/zinc/49/61/27/618496127.db2.gz PSCSISOMRTXSOI-RCBQFDQVSA-N 2 2 308.853 3.290 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925671565 618525767 /nfs/dbraw/zinc/52/57/67/618525767.db2.gz DKZZKMWLMPAVOT-JLZZUVOBSA-N 2 2 304.821 3.052 20 0 DGADLP COCc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895110279 618538981 /nfs/dbraw/zinc/53/89/81/618538981.db2.gz GYPDTNWJNOAEBD-SHTZXODSSA-N 2 2 315.417 3.098 20 0 DGADLP CCCC[C@@H](COC)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110757 618539517 /nfs/dbraw/zinc/53/95/17/618539517.db2.gz WNHRQXYPSJAYRD-ULQDDVLXSA-N 2 2 305.466 3.363 20 0 DGADLP COC1(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC000895112170 618540535 /nfs/dbraw/zinc/54/05/35/618540535.db2.gz NIDBDGGQJIBICK-WKILWMFISA-N 2 2 303.450 3.117 20 0 DGADLP CC[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895111802 618540566 /nfs/dbraw/zinc/54/05/66/618540566.db2.gz KKRBXYJXHHWKEG-LUKYLMHMSA-N 2 2 303.450 3.116 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCOC3(CCC3)C2)CC1 ZINC000895114043 618541027 /nfs/dbraw/zinc/54/10/27/618541027.db2.gz YWCDWWAOWVSPPA-ULQDDVLXSA-N 2 2 315.461 3.260 20 0 DGADLP Nc1c(F)cccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114297 618541157 /nfs/dbraw/zinc/54/11/57/618541157.db2.gz LFZHRNGFNZCLSE-SHTZXODSSA-N 2 2 314.408 3.079 20 0 DGADLP Fc1cccc(/C=C/C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193046 618572053 /nfs/dbraw/zinc/57/20/53/618572053.db2.gz PASIALGUIZJQJI-KPUAHBEZSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1cccc(/C=C/C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193046 618572057 /nfs/dbraw/zinc/57/20/57/618572057.db2.gz PASIALGUIZJQJI-KPUAHBEZSA-N 2 2 318.436 3.026 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291878 618588609 /nfs/dbraw/zinc/58/86/09/618588609.db2.gz ISKOAPHTGDUUEA-IEBWSBKVSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291878 618588612 /nfs/dbraw/zinc/58/86/12/618588612.db2.gz ISKOAPHTGDUUEA-IEBWSBKVSA-N 3 2 315.505 3.113 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780081 618617628 /nfs/dbraw/zinc/61/76/28/618617628.db2.gz RSQYXUKATHXALQ-WDEREUQCSA-N 2 2 318.795 3.244 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2)n1 ZINC000925784122 618619353 /nfs/dbraw/zinc/61/93/53/618619353.db2.gz GNUHPVOQJBVBCR-NFAWXSAZSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCC2 ZINC000925792220 618620951 /nfs/dbraw/zinc/62/09/51/618620951.db2.gz AFEIZHATYXAKBV-UKRRQHHQSA-N 2 2 320.502 3.046 20 0 DGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1C ZINC000925793587 618621186 /nfs/dbraw/zinc/62/11/86/618621186.db2.gz FWBOOTRKVGBIIV-IRXDYDNUSA-N 2 2 302.462 3.113 20 0 DGADLP COCC1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000925923885 618669087 /nfs/dbraw/zinc/66/90/87/618669087.db2.gz KBOLIBKNTQYDDQ-SJLPKXTDSA-N 2 2 300.446 3.123 20 0 DGADLP COCC1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000925923885 618669089 /nfs/dbraw/zinc/66/90/89/618669089.db2.gz KBOLIBKNTQYDDQ-SJLPKXTDSA-N 2 2 300.446 3.123 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(OC)c2OC)CC1 ZINC000893966868 618684391 /nfs/dbraw/zinc/68/43/91/618684391.db2.gz GJLMJYDKXJXUJB-UHFFFAOYSA-N 2 2 320.477 3.318 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(OC)c2OC)CC1 ZINC000893966868 618684393 /nfs/dbraw/zinc/68/43/93/618684393.db2.gz GJLMJYDKXJXUJB-UHFFFAOYSA-N 2 2 320.477 3.318 20 0 DGADLP FC(F)COc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000893979476 618686378 /nfs/dbraw/zinc/68/63/78/618686378.db2.gz AEGOFKPUUSFELG-UHFFFAOYSA-N 2 2 321.371 3.364 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000895554261 618798314 /nfs/dbraw/zinc/79/83/14/618798314.db2.gz UWLDEFSUCVZMRO-UHFFFAOYSA-N 2 2 318.509 3.213 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895708153 618822287 /nfs/dbraw/zinc/82/22/87/618822287.db2.gz ZNJYHUZTEDCHET-SZMVWBNQSA-N 2 2 301.434 3.275 20 0 DGADLP Oc1cncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000897304371 619049692 /nfs/dbraw/zinc/04/96/92/619049692.db2.gz CWHFCYVFQXGUCL-PXNSSMCTSA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000897304371 619049696 /nfs/dbraw/zinc/04/96/96/619049696.db2.gz CWHFCYVFQXGUCL-PXNSSMCTSA-N 2 2 323.440 3.245 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnnc1 ZINC000925230165 619086767 /nfs/dbraw/zinc/08/67/67/619086767.db2.gz UAYOOBNNYBZITF-BXWFABGCSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnnc1 ZINC000925230165 619086768 /nfs/dbraw/zinc/08/67/68/619086768.db2.gz UAYOOBNNYBZITF-BXWFABGCSA-N 2 2 310.445 3.180 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000841006028 619148690 /nfs/dbraw/zinc/14/86/90/619148690.db2.gz GJHORUXXAYTPEW-QZTJIDSGSA-N 2 2 324.896 3.459 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)C[C@]2(C)C1 ZINC000897620521 619168248 /nfs/dbraw/zinc/16/82/48/619168248.db2.gz RSWYOFVTHJRYMS-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)C[C@]2(C)C1 ZINC000897620521 619168250 /nfs/dbraw/zinc/16/82/50/619168250.db2.gz RSWYOFVTHJRYMS-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Oc4ccccn4)c3)C[C@]2(C)C1 ZINC000897620521 619168251 /nfs/dbraw/zinc/16/82/51/619168251.db2.gz RSWYOFVTHJRYMS-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Oc4ccccn4)c3)C[C@]2(C)C1 ZINC000897620521 619168253 /nfs/dbraw/zinc/16/82/53/619168253.db2.gz RSWYOFVTHJRYMS-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP c1cn(-c2csc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)c2)c[nH+]1 ZINC000897749002 619176292 /nfs/dbraw/zinc/17/62/92/619176292.db2.gz OLVVCAJGAOWCIT-QXMXGUDHSA-N 2 2 305.472 3.450 20 0 DGADLP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034672 619208384 /nfs/dbraw/zinc/20/83/84/619208384.db2.gz VECRVFHYLCHEQH-JLTOFOAXSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034672 619208387 /nfs/dbraw/zinc/20/83/87/619208387.db2.gz VECRVFHYLCHEQH-JLTOFOAXSA-N 2 2 304.415 3.031 20 0 DGADLP CC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000926957839 619252397 /nfs/dbraw/zinc/25/23/97/619252397.db2.gz KYOAGTVMHHPMNP-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000926957839 619252398 /nfs/dbraw/zinc/25/23/98/619252398.db2.gz KYOAGTVMHHPMNP-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959889 619252544 /nfs/dbraw/zinc/25/25/44/619252544.db2.gz TWZCIXSYHZJQSN-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959889 619252546 /nfs/dbraw/zinc/25/25/46/619252546.db2.gz TWZCIXSYHZJQSN-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)C[NH+](C)C ZINC000926961663 619253017 /nfs/dbraw/zinc/25/30/17/619253017.db2.gz KAJHVVFSVVAMKR-QWHCGFSZSA-N 2 2 318.383 3.323 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651177 619253640 /nfs/dbraw/zinc/25/36/40/619253640.db2.gz WLYNXOYRXACLIG-HUUCEWRRSA-N 2 2 311.429 3.477 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651177 619253642 /nfs/dbraw/zinc/25/36/42/619253642.db2.gz WLYNXOYRXACLIG-HUUCEWRRSA-N 2 2 311.429 3.477 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704319 619260707 /nfs/dbraw/zinc/26/07/07/619260707.db2.gz DISAXJMBQCPAKC-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704319 619260708 /nfs/dbraw/zinc/26/07/08/619260708.db2.gz DISAXJMBQCPAKC-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706595 619261591 /nfs/dbraw/zinc/26/15/91/619261591.db2.gz QEKBOHRTLBXVKA-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706595 619261593 /nfs/dbraw/zinc/26/15/93/619261593.db2.gz QEKBOHRTLBXVKA-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[NH2+]C4(CCC4)C3)[nH+]cn2)cc1 ZINC000900022759 619391178 /nfs/dbraw/zinc/39/11/78/619391178.db2.gz ZVVNPRIVRCVGIW-INIZCTEOSA-N 2 2 323.444 3.175 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[NH2+]C4(CCC4)C3)nc[nH+]2)cc1 ZINC000900022759 619391181 /nfs/dbraw/zinc/39/11/81/619391181.db2.gz ZVVNPRIVRCVGIW-INIZCTEOSA-N 2 2 323.444 3.175 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCOC23CCCCC3)c[nH+]1 ZINC000924770791 619394195 /nfs/dbraw/zinc/39/41/95/619394195.db2.gz TUIHFCCGLMDUCQ-GOSISDBHSA-N 2 2 311.429 3.454 20 0 DGADLP CCn1ccnc1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902385744 619629654 /nfs/dbraw/zinc/62/96/54/619629654.db2.gz AJQKUNHFZFKSCP-INIZCTEOSA-N 2 2 322.403 3.141 20 0 DGADLP COc1ccccc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902475305 619638405 /nfs/dbraw/zinc/63/84/05/619638405.db2.gz HUFDJCDZNWKWAN-XZKMEQPCSA-N 2 2 300.446 3.409 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(Br)c1 ZINC000902465389 619641570 /nfs/dbraw/zinc/64/15/70/619641570.db2.gz FSOYKPJZMXCPCH-GBJTYRQASA-N 2 2 309.251 3.383 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1C ZINC000902482444 619645504 /nfs/dbraw/zinc/64/55/04/619645504.db2.gz LDZXMXBECRISIW-WBVHZDCISA-N 2 2 317.477 3.142 20 0 DGADLP COCCC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000902483043 619645540 /nfs/dbraw/zinc/64/55/40/619645540.db2.gz ORJKVQHOFVUONR-ROUUACIJSA-N 2 2 308.441 3.415 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902482781 619645704 /nfs/dbraw/zinc/64/57/04/619645704.db2.gz NNLPCFFDCTUBEO-HIFRSBDPSA-N 2 2 315.461 3.099 20 0 DGADLP c1cn(CC[NH2+][C@@H](CCc2ccccc2)c2cccnc2)c[nH+]1 ZINC000902725272 619666235 /nfs/dbraw/zinc/66/62/35/619666235.db2.gz TYVCCLUFQHBXLC-IBGZPJMESA-N 2 2 306.413 3.242 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747954 619669867 /nfs/dbraw/zinc/66/98/67/619669867.db2.gz JMIGHGNWKPMTQY-IPELMVKDSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747954 619669868 /nfs/dbraw/zinc/66/98/68/619669868.db2.gz JMIGHGNWKPMTQY-IPELMVKDSA-N 2 2 310.445 3.150 20 0 DGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)c[nH+]1 ZINC000902758804 619671500 /nfs/dbraw/zinc/67/15/00/619671500.db2.gz INJCRVOXSNCJBY-ZWKOTPCHSA-N 2 2 305.466 3.238 20 0 DGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902795501 619677800 /nfs/dbraw/zinc/67/78/00/619677800.db2.gz CZIKLBWZBYFFGL-QYZOEREBSA-N 2 2 306.494 3.046 20 0 DGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902795501 619677801 /nfs/dbraw/zinc/67/78/01/619677801.db2.gz CZIKLBWZBYFFGL-QYZOEREBSA-N 2 2 306.494 3.046 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000902817109 619681575 /nfs/dbraw/zinc/68/15/75/619681575.db2.gz VPNZLNKXFXVXNS-YOEHRIQHSA-N 2 2 311.385 3.158 20 0 DGADLP C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902880993 619687793 /nfs/dbraw/zinc/68/77/93/619687793.db2.gz CLERKQPJDKOILY-GDBMZVCRSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902897190 619690086 /nfs/dbraw/zinc/69/00/86/619690086.db2.gz OMINPKQNZFIVOS-YJBOKZPZSA-N 2 2 313.445 3.320 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000903074258 619716065 /nfs/dbraw/zinc/71/60/65/619716065.db2.gz UPVUAQIAKGOJMF-ATZDWAIDSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000903074258 619716066 /nfs/dbraw/zinc/71/60/66/619716066.db2.gz UPVUAQIAKGOJMF-ATZDWAIDSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903074258 619716070 /nfs/dbraw/zinc/71/60/70/619716070.db2.gz UPVUAQIAKGOJMF-ATZDWAIDSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903074258 619716071 /nfs/dbraw/zinc/71/60/71/619716071.db2.gz UPVUAQIAKGOJMF-ATZDWAIDSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903257872 619746176 /nfs/dbraw/zinc/74/61/76/619746176.db2.gz MMLBCUGKLDLXGK-HNNXBMFYSA-N 2 2 311.429 3.218 20 0 DGADLP COC1([C@H](C)[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCCC1 ZINC000903376142 619767829 /nfs/dbraw/zinc/76/78/29/619767829.db2.gz ADAKKXFBHZVCNM-DOTOQJQBSA-N 2 2 305.466 3.012 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C12CCC2 ZINC000903380895 619768641 /nfs/dbraw/zinc/76/86/41/619768641.db2.gz POYGTBARSAYJHN-FGTMMUONSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903398379 619773491 /nfs/dbraw/zinc/77/34/91/619773491.db2.gz WEZYETHIVATHLR-INIZCTEOSA-N 2 2 321.424 3.258 20 0 DGADLP Clc1ccccc1OC[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903457387 619779722 /nfs/dbraw/zinc/77/97/22/619779722.db2.gz RRKWHVBNVYNVTP-HUUCEWRRSA-N 2 2 308.853 3.183 20 0 DGADLP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903457387 619779724 /nfs/dbraw/zinc/77/97/24/619779724.db2.gz RRKWHVBNVYNVTP-HUUCEWRRSA-N 2 2 308.853 3.183 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(Cc3ccccc3)n1)C2 ZINC000903844010 619822735 /nfs/dbraw/zinc/82/27/35/619822735.db2.gz ZGBBCDGMGLZCQZ-UXLLHSPISA-N 2 2 313.470 3.046 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(Cc3ccccc3)n1)C2 ZINC000903844010 619822737 /nfs/dbraw/zinc/82/27/37/619822737.db2.gz ZGBBCDGMGLZCQZ-UXLLHSPISA-N 2 2 313.470 3.046 20 0 DGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000903889061 619826460 /nfs/dbraw/zinc/82/64/60/619826460.db2.gz NOARQQNVVUJJBR-OAHLLOKOSA-N 2 2 300.368 3.063 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000903885211 619828573 /nfs/dbraw/zinc/82/85/73/619828573.db2.gz JNLWSOHWLUFXCD-ZIAGYGMSSA-N 2 2 307.388 3.330 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000903885211 619828577 /nfs/dbraw/zinc/82/85/77/619828577.db2.gz JNLWSOHWLUFXCD-ZIAGYGMSSA-N 2 2 307.388 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903909558 619833233 /nfs/dbraw/zinc/83/32/33/619833233.db2.gz FOGPEPFJJIQPKR-GFCCVEGCSA-N 2 2 321.209 3.172 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903909558 619833235 /nfs/dbraw/zinc/83/32/35/619833235.db2.gz FOGPEPFJJIQPKR-GFCCVEGCSA-N 2 2 321.209 3.172 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903937164 619838171 /nfs/dbraw/zinc/83/81/71/619838171.db2.gz CUJCTWPPSHWOPJ-UONOGXRCSA-N 2 2 312.404 3.247 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903937164 619838173 /nfs/dbraw/zinc/83/81/73/619838173.db2.gz CUJCTWPPSHWOPJ-UONOGXRCSA-N 2 2 312.404 3.247 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000903955556 619846562 /nfs/dbraw/zinc/84/65/62/619846562.db2.gz VKZGYKKERXPMKH-HNNXBMFYSA-N 2 2 324.415 3.342 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974364 619847410 /nfs/dbraw/zinc/84/74/10/619847410.db2.gz UIXJDSBWIDHMQP-INIZCTEOSA-N 2 2 322.880 3.205 20 0 DGADLP CCC[NH+](CCC)CCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904270065 619906223 /nfs/dbraw/zinc/90/62/23/619906223.db2.gz WGMJUTRDNZAOME-UHFFFAOYSA-N 2 2 317.437 3.077 20 0 DGADLP C[C@@]1(C[NH2+]Cc2nc(-c3ccccc3F)cs2)CCC[NH2+]C1 ZINC000904367640 619916773 /nfs/dbraw/zinc/91/67/73/619916773.db2.gz BEBDQIPSMQYPPS-QGZVFWFLSA-N 2 2 319.449 3.429 20 0 DGADLP c1cn(Cc2ccc(-c3cncc([C@@H]4CCC[NH2+]4)c3)cc2)c[nH+]1 ZINC000906177548 620065757 /nfs/dbraw/zinc/06/57/57/620065757.db2.gz HWGXUSRCOOWEJZ-IBGZPJMESA-N 2 2 304.397 3.418 20 0 DGADLP c1cn(Cc2ccc(-c3cnc([C@@H]4CCCC[NH2+]4)nc3)cc2)c[nH+]1 ZINC000906179572 620066288 /nfs/dbraw/zinc/06/62/88/620066288.db2.gz VJOHXWDPEQAFMX-SFHVURJKSA-N 2 2 319.412 3.203 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)o1 ZINC000906526683 620102802 /nfs/dbraw/zinc/10/28/02/620102802.db2.gz JGGJCIIEGJRSLW-ZWKOTPCHSA-N 2 2 311.429 3.448 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)o1 ZINC000906526683 620102804 /nfs/dbraw/zinc/10/28/04/620102804.db2.gz JGGJCIIEGJRSLW-ZWKOTPCHSA-N 2 2 311.429 3.448 20 0 DGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924807633 620107145 /nfs/dbraw/zinc/10/71/45/620107145.db2.gz NLRZFWGXQNLRAM-PKOBYXMFSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@@H+]1C ZINC000921781228 620948655 /nfs/dbraw/zinc/94/86/55/620948655.db2.gz YZTSJWYYZQOPED-RDJZCZTQSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@H+]1C ZINC000921781228 620948656 /nfs/dbraw/zinc/94/86/56/620948656.db2.gz YZTSJWYYZQOPED-RDJZCZTQSA-N 2 2 311.429 3.446 20 0 DGADLP CCc1onc(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000922986879 621143660 /nfs/dbraw/zinc/14/36/60/621143660.db2.gz FZGOYDHDCUDWET-UHFFFAOYSA-N 2 2 313.445 3.300 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)o2)cc1 ZINC000923519422 621191460 /nfs/dbraw/zinc/19/14/60/621191460.db2.gz CTVOYBSFBUNFLI-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)o2)cc1 ZINC000923519422 621191462 /nfs/dbraw/zinc/19/14/62/621191462.db2.gz CTVOYBSFBUNFLI-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Cn1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1Cl ZINC000859204076 621260224 /nfs/dbraw/zinc/26/02/24/621260224.db2.gz PYPWESQOGBLVAH-UHFFFAOYSA-N 2 2 324.900 3.162 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000753857492 621469129 /nfs/dbraw/zinc/46/91/29/621469129.db2.gz FHJOZHWVCXBUIR-BEFAXECRSA-N 2 2 302.462 3.090 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000753857492 621469132 /nfs/dbraw/zinc/46/91/32/621469132.db2.gz FHJOZHWVCXBUIR-BEFAXECRSA-N 2 2 302.462 3.090 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C2 ZINC000756029475 621610840 /nfs/dbraw/zinc/61/08/40/621610840.db2.gz DBGSUNTXASBZMS-DOTOQJQBSA-N 2 2 302.462 3.017 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925667 621673350 /nfs/dbraw/zinc/67/33/50/621673350.db2.gz FTXUSEZJCCELFR-USXIJHARSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000756925667 621673353 /nfs/dbraw/zinc/67/33/53/621673353.db2.gz FTXUSEZJCCELFR-USXIJHARSA-N 2 2 320.502 3.312 20 0 DGADLP c1cncc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2)c1 ZINC000863643941 621692740 /nfs/dbraw/zinc/69/27/40/621692740.db2.gz CVQQYYUDBQLOQU-LJQANCHMSA-N 2 2 323.440 3.035 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848270 621896366 /nfs/dbraw/zinc/89/63/66/621896366.db2.gz AKVYEHIGHCEQTN-DOMZBBRYSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848270 621896367 /nfs/dbraw/zinc/89/63/67/621896367.db2.gz AKVYEHIGHCEQTN-DOMZBBRYSA-N 2 2 323.799 3.115 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000865448034 621923770 /nfs/dbraw/zinc/92/37/70/621923770.db2.gz YFKDVKCNOQYMHX-IAGOWNOFSA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000865448034 621923772 /nfs/dbraw/zinc/92/37/72/621923772.db2.gz YFKDVKCNOQYMHX-IAGOWNOFSA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]cn2)cc1 ZINC000865448034 621923774 /nfs/dbraw/zinc/92/37/74/621923774.db2.gz YFKDVKCNOQYMHX-IAGOWNOFSA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]cn2)cc1 ZINC000865448034 621923776 /nfs/dbraw/zinc/92/37/76/621923776.db2.gz YFKDVKCNOQYMHX-IAGOWNOFSA-N 2 2 323.444 3.127 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1cnc(Cl)c(F)c1)C(C)C ZINC000865481190 621931283 /nfs/dbraw/zinc/93/12/83/621931283.db2.gz WOFMTYFDHBKIKF-UHFFFAOYSA-N 2 2 301.837 3.473 20 0 DGADLP Clc1cncc(Cl)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000865486410 621933199 /nfs/dbraw/zinc/93/31/99/621933199.db2.gz UPNOJUMJQYYNKG-UHFFFAOYSA-N 2 2 311.216 3.375 20 0 DGADLP C[NH+](C)C1(C)CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000865765238 621991373 /nfs/dbraw/zinc/99/13/73/621991373.db2.gz MMXRKSSFLJOFNG-UHFFFAOYSA-N 3 2 318.490 3.286 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000866243621 622074288 /nfs/dbraw/zinc/07/42/88/622074288.db2.gz RYCQPKUDMHUERR-MRXNPFEDSA-N 2 2 306.413 3.378 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000762477155 622078783 /nfs/dbraw/zinc/07/87/83/622078783.db2.gz UORIUJDIKZPWRN-XYJFISCASA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000762477155 622078785 /nfs/dbraw/zinc/07/87/85/622078785.db2.gz UORIUJDIKZPWRN-XYJFISCASA-N 2 2 320.864 3.170 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866342511 622097807 /nfs/dbraw/zinc/09/78/07/622097807.db2.gz HJNKENPQNUOTSQ-YJBOKZPZSA-N 2 2 320.440 3.357 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000866402208 622111996 /nfs/dbraw/zinc/11/19/96/622111996.db2.gz IYLICCPGSHKPJH-JFIYKMOQSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000866402208 622111999 /nfs/dbraw/zinc/11/19/99/622111999.db2.gz IYLICCPGSHKPJH-JFIYKMOQSA-N 2 2 319.518 3.025 20 0 DGADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000866412715 622113728 /nfs/dbraw/zinc/11/37/28/622113728.db2.gz MBFOFGIDAFGVFX-WIHSUSGWSA-N 2 2 322.880 3.021 20 0 DGADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000866412715 622113730 /nfs/dbraw/zinc/11/37/30/622113730.db2.gz MBFOFGIDAFGVFX-WIHSUSGWSA-N 2 2 322.880 3.021 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866483608 622125284 /nfs/dbraw/zinc/12/52/84/622125284.db2.gz KHHPZQRTTGKMBT-ZBFHGGJFSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866483608 622125288 /nfs/dbraw/zinc/12/52/88/622125288.db2.gz KHHPZQRTTGKMBT-ZBFHGGJFSA-N 2 2 318.461 3.214 20 0 DGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2CC[NH3+])co1 ZINC000866665330 622154146 /nfs/dbraw/zinc/15/41/46/622154146.db2.gz UWWWHVRCTGLPPI-HNNXBMFYSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2CC[NH3+])co1 ZINC000866665330 622154149 /nfs/dbraw/zinc/15/41/49/622154149.db2.gz UWWWHVRCTGLPPI-HNNXBMFYSA-N 2 2 315.417 3.054 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000765040574 622241440 /nfs/dbraw/zinc/24/14/40/622241440.db2.gz XRWXRWGEJVECCV-WOJBJXKFSA-N 3 2 319.537 3.248 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000765040574 622241443 /nfs/dbraw/zinc/24/14/43/622241443.db2.gz XRWXRWGEJVECCV-WOJBJXKFSA-N 3 2 319.537 3.248 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000766251691 622314952 /nfs/dbraw/zinc/31/49/52/622314952.db2.gz XKGRPTKFRXWENP-KRWDZBQOSA-N 2 2 312.461 3.019 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000766251691 622314955 /nfs/dbraw/zinc/31/49/55/622314955.db2.gz XKGRPTKFRXWENP-KRWDZBQOSA-N 2 2 312.461 3.019 20 0 DGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275674 622316853 /nfs/dbraw/zinc/31/68/53/622316853.db2.gz YLMBKKXRLQRFKI-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275674 622316855 /nfs/dbraw/zinc/31/68/55/622316855.db2.gz YLMBKKXRLQRFKI-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275679 622316971 /nfs/dbraw/zinc/31/69/71/622316971.db2.gz YLMBKKXRLQRFKI-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275679 622316972 /nfs/dbraw/zinc/31/69/72/622316972.db2.gz YLMBKKXRLQRFKI-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)o1 ZINC000767393323 622396180 /nfs/dbraw/zinc/39/61/80/622396180.db2.gz VDJHFWVZGNHDQH-QGZVFWFLSA-N 2 2 314.433 3.044 20 0 DGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102289 622438456 /nfs/dbraw/zinc/43/84/56/622438456.db2.gz MQOFDFXGYCAHCS-MAUKXSAKSA-N 2 2 302.462 3.394 20 0 DGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102289 622438457 /nfs/dbraw/zinc/43/84/57/622438457.db2.gz MQOFDFXGYCAHCS-MAUKXSAKSA-N 2 2 302.462 3.394 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1F ZINC000769491465 622533582 /nfs/dbraw/zinc/53/35/82/622533582.db2.gz OLEDAPPDCQZYDO-HOTGVXAUSA-N 2 2 322.468 3.477 20 0 DGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000769873405 622570587 /nfs/dbraw/zinc/57/05/87/622570587.db2.gz LOIRBFUGYQWMCW-ZDUSSCGKSA-N 2 2 302.422 3.483 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770002416 622589180 /nfs/dbraw/zinc/58/91/80/622589180.db2.gz SXJDQLBAUVUKSE-MSOLQXFVSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770002416 622589185 /nfs/dbraw/zinc/58/91/85/622589185.db2.gz SXJDQLBAUVUKSE-MSOLQXFVSA-N 2 2 322.880 3.324 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374307 622625634 /nfs/dbraw/zinc/62/56/34/622625634.db2.gz LCKGDIFWJMPLFP-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374307 622625635 /nfs/dbraw/zinc/62/56/35/622625635.db2.gz LCKGDIFWJMPLFP-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000770374307 622625636 /nfs/dbraw/zinc/62/56/36/622625636.db2.gz LCKGDIFWJMPLFP-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000770374307 622625637 /nfs/dbraw/zinc/62/56/37/622625637.db2.gz LCKGDIFWJMPLFP-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000872028402 622760790 /nfs/dbraw/zinc/76/07/90/622760790.db2.gz QRPKYOYHOFXMFB-KRWDZBQOSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462075 622762687 /nfs/dbraw/zinc/76/26/87/622762687.db2.gz HRNBOQZKLVJOLY-YLJYHZDGSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462075 622762693 /nfs/dbraw/zinc/76/26/93/622762693.db2.gz HRNBOQZKLVJOLY-YLJYHZDGSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462075 622762698 /nfs/dbraw/zinc/76/26/98/622762698.db2.gz HRNBOQZKLVJOLY-YLJYHZDGSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462075 622762703 /nfs/dbraw/zinc/76/27/03/622762703.db2.gz HRNBOQZKLVJOLY-YLJYHZDGSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129437 622824238 /nfs/dbraw/zinc/82/42/38/622824238.db2.gz BFWPTEIAJZNFJG-WZRBSPASSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129437 622824242 /nfs/dbraw/zinc/82/42/42/622824242.db2.gz BFWPTEIAJZNFJG-WZRBSPASSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129738 622824289 /nfs/dbraw/zinc/82/42/89/622824289.db2.gz BFWPTEIAJZNFJG-GMXVVIOVSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129738 622824292 /nfs/dbraw/zinc/82/42/92/622824292.db2.gz BFWPTEIAJZNFJG-GMXVVIOVSA-N 2 2 301.356 3.234 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2c1 ZINC000872149204 622833139 /nfs/dbraw/zinc/83/31/39/622833139.db2.gz MQEVXPOJIRZWLX-LSDHHAIUSA-N 2 2 323.362 3.112 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2c1 ZINC000872149204 622833143 /nfs/dbraw/zinc/83/31/43/622833143.db2.gz MQEVXPOJIRZWLX-LSDHHAIUSA-N 2 2 323.362 3.112 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150649 622835570 /nfs/dbraw/zinc/83/55/70/622835570.db2.gz YLPBCAUIRYXKJZ-ZIAGYGMSSA-N 2 2 315.383 3.082 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150649 622835575 /nfs/dbraw/zinc/83/55/75/622835575.db2.gz YLPBCAUIRYXKJZ-ZIAGYGMSSA-N 2 2 315.383 3.082 20 0 DGADLP c1cc(COc2ccc(C[NH2+][C@]34CCC[C@H]3[NH2+]CC4)cc2)ccn1 ZINC000873229617 623082368 /nfs/dbraw/zinc/08/23/68/623082368.db2.gz CRDWGJKPNHFQTB-UXHICEINSA-N 2 2 323.440 3.035 20 0 DGADLP c1cc(COc2ccc(C[NH2+][C@@]34CCC[C@@H]3[NH2+]CC4)cc2)ccn1 ZINC000873229618 623082653 /nfs/dbraw/zinc/08/26/53/623082653.db2.gz CRDWGJKPNHFQTB-VQTJNVASSA-N 2 2 323.440 3.035 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873227767 623083223 /nfs/dbraw/zinc/08/32/23/623083223.db2.gz LVXSJBGQJLKAQA-VXGBXAGGSA-N 2 2 306.759 3.217 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873227767 623083228 /nfs/dbraw/zinc/08/32/28/623083228.db2.gz LVXSJBGQJLKAQA-VXGBXAGGSA-N 2 2 306.759 3.217 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC000873238409 623086587 /nfs/dbraw/zinc/08/65/87/623086587.db2.gz ZNUISSPOEJDLEY-DYVFJYSZSA-N 2 2 303.450 3.074 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCS2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873244930 623089611 /nfs/dbraw/zinc/08/96/11/623089611.db2.gz WFLDCANPVIOKBY-BZSNNMDCSA-N 2 2 320.502 3.364 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2cc(F)ccc12 ZINC000873275955 623101582 /nfs/dbraw/zinc/10/15/82/623101582.db2.gz PAMMKMQTNRGKKQ-TZMCWYRMSA-N 2 2 305.397 3.367 20 0 DGADLP COCC(C)(C)CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000873279881 623102292 /nfs/dbraw/zinc/10/22/92/623102292.db2.gz NUNKGUXOHARDLS-MSOLQXFVSA-N 2 2 320.477 3.141 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)[nH+]c1 ZINC000775379064 623261823 /nfs/dbraw/zinc/26/18/23/623261823.db2.gz DIOVNKZKXXSDAI-IIAWOOMASA-N 2 2 323.531 3.243 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cn1 ZINC000775503395 623281700 /nfs/dbraw/zinc/28/17/00/623281700.db2.gz HQAWPQUHLOAAAR-CZUORRHYSA-N 2 2 323.868 3.029 20 0 DGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000777610495 623548127 /nfs/dbraw/zinc/54/81/27/623548127.db2.gz MAKVLDQGKUWVAA-LJQANCHMSA-N 2 2 317.477 3.056 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(C)c1OC(F)F ZINC000778189503 623622121 /nfs/dbraw/zinc/62/21/21/623622121.db2.gz PUHJTYLRINDKTQ-CQSZACIVSA-N 2 2 321.371 3.206 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813158 623713414 /nfs/dbraw/zinc/71/34/14/623713414.db2.gz SALYHBLPDWOMJO-SWLSCSKDSA-N 2 2 319.836 3.397 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813158 623713419 /nfs/dbraw/zinc/71/34/19/623713419.db2.gz SALYHBLPDWOMJO-SWLSCSKDSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813158 623713425 /nfs/dbraw/zinc/71/34/25/623713425.db2.gz SALYHBLPDWOMJO-SWLSCSKDSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@H]21 ZINC000876813158 623713428 /nfs/dbraw/zinc/71/34/28/623713428.db2.gz SALYHBLPDWOMJO-SWLSCSKDSA-N 2 2 319.836 3.397 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000876931103 623747151 /nfs/dbraw/zinc/74/71/51/623747151.db2.gz IVBKBWNQFGWHSZ-SIFCLUCFSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000876931103 623747157 /nfs/dbraw/zinc/74/71/57/623747157.db2.gz IVBKBWNQFGWHSZ-SIFCLUCFSA-N 2 2 304.415 3.031 20 0 DGADLP COc1c(C)cnc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1C ZINC000877315257 623850003 /nfs/dbraw/zinc/85/00/03/623850003.db2.gz LZXMFPOVVLXZCA-HNNXBMFYSA-N 2 2 305.466 3.061 20 0 DGADLP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000877480554 623903658 /nfs/dbraw/zinc/90/36/58/623903658.db2.gz ZEXGEXODZXOZTJ-QVKFZJNVSA-N 2 2 318.442 3.421 20 0 DGADLP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000877480554 623903663 /nfs/dbraw/zinc/90/36/63/623903663.db2.gz ZEXGEXODZXOZTJ-QVKFZJNVSA-N 2 2 318.442 3.421 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000877480553 623903685 /nfs/dbraw/zinc/90/36/85/623903685.db2.gz ZEXGEXODZXOZTJ-BTYIYWSLSA-N 2 2 318.442 3.421 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000877480553 623903686 /nfs/dbraw/zinc/90/36/86/623903686.db2.gz ZEXGEXODZXOZTJ-BTYIYWSLSA-N 2 2 318.442 3.421 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531613 623927462 /nfs/dbraw/zinc/92/74/62/623927462.db2.gz PSYLYZSCJOFFLJ-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531613 623927467 /nfs/dbraw/zinc/92/74/67/623927467.db2.gz PSYLYZSCJOFFLJ-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531613 623927473 /nfs/dbraw/zinc/92/74/73/623927473.db2.gz PSYLYZSCJOFFLJ-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531613 623927477 /nfs/dbraw/zinc/92/74/77/623927477.db2.gz PSYLYZSCJOFFLJ-ZIAGYGMSSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530977 623928159 /nfs/dbraw/zinc/92/81/59/623928159.db2.gz HETGYNYEBFREMX-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530977 623928164 /nfs/dbraw/zinc/92/81/64/623928164.db2.gz HETGYNYEBFREMX-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530977 623928169 /nfs/dbraw/zinc/92/81/69/623928169.db2.gz HETGYNYEBFREMX-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530977 623928172 /nfs/dbraw/zinc/92/81/72/623928172.db2.gz HETGYNYEBFREMX-FUHWJXTLSA-N 2 2 313.420 3.290 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000877619494 623964560 /nfs/dbraw/zinc/96/45/60/623964560.db2.gz AWLCBFQFRIZTBA-CKNLXJGOSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000877619494 623964567 /nfs/dbraw/zinc/96/45/67/623964567.db2.gz AWLCBFQFRIZTBA-CKNLXJGOSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000877622674 623967823 /nfs/dbraw/zinc/96/78/23/623967823.db2.gz SADQRNUMJZNCFQ-MNVSYLFESA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000877622674 623967828 /nfs/dbraw/zinc/96/78/28/623967828.db2.gz SADQRNUMJZNCFQ-MNVSYLFESA-N 2 2 304.415 3.172 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742630 624014855 /nfs/dbraw/zinc/01/48/55/624014855.db2.gz QGNVHLCVEZWCLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742630 624014862 /nfs/dbraw/zinc/01/48/62/624014862.db2.gz QGNVHLCVEZWCLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742630 624014866 /nfs/dbraw/zinc/01/48/66/624014866.db2.gz QGNVHLCVEZWCLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CC[C@H]21 ZINC000877742630 624014873 /nfs/dbraw/zinc/01/48/73/624014873.db2.gz QGNVHLCVEZWCLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP CC[N@H+](C[C@H]1C[C@@H](OC)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878149974 624190331 /nfs/dbraw/zinc/19/03/31/624190331.db2.gz CBCMFUCKWCDMJS-HDICACEKSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](C[C@H]1C[C@@H](OC)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878149974 624190334 /nfs/dbraw/zinc/19/03/34/624190334.db2.gz CBCMFUCKWCDMJS-HDICACEKSA-N 2 2 317.477 3.045 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@@H]3CCC4(CCC4)O3)CC2)[nH+]c1 ZINC000878321695 624244537 /nfs/dbraw/zinc/24/45/37/624244537.db2.gz SYWALWWEWXLEMD-INIZCTEOSA-N 2 2 301.434 3.060 20 0 DGADLP CC1(C)CCC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000878320370 624244728 /nfs/dbraw/zinc/24/47/28/624244728.db2.gz DVZORHJTUYNLHX-INIZCTEOSA-N 2 2 303.450 3.306 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345349 624250513 /nfs/dbraw/zinc/25/05/13/624250513.db2.gz QOWSNCQPZDUZFF-QAPCUYQASA-N 2 2 311.429 3.482 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397767 624266107 /nfs/dbraw/zinc/26/61/07/624266107.db2.gz SMBYTXRKXCZWSZ-QNDJGXFYSA-N 2 2 311.429 3.481 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782755321 624279950 /nfs/dbraw/zinc/27/99/50/624279950.db2.gz BOZVRKRTNCCSAV-MOPGFXCFSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782755321 624279956 /nfs/dbraw/zinc/27/99/56/624279956.db2.gz BOZVRKRTNCCSAV-MOPGFXCFSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000782759331 624280838 /nfs/dbraw/zinc/28/08/38/624280838.db2.gz HSQSNLWBIUNKOB-HNAYVOBHSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000782759331 624280841 /nfs/dbraw/zinc/28/08/41/624280841.db2.gz HSQSNLWBIUNKOB-HNAYVOBHSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@H]2C)CCOCC1)c1ccccc1 ZINC000783244989 624330047 /nfs/dbraw/zinc/33/00/47/624330047.db2.gz JREGIRBQMSODHG-SOLBZPMBSA-N 2 2 302.462 3.275 20 0 DGADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879201492 624449417 /nfs/dbraw/zinc/44/94/17/624449417.db2.gz KQVXNNFZVXSIRA-GOSISDBHSA-N 2 2 320.452 3.118 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566854 624592747 /nfs/dbraw/zinc/59/27/47/624592747.db2.gz ZNCXQDCTQMKJTP-IAGOWNOFSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566854 624592761 /nfs/dbraw/zinc/59/27/61/624592761.db2.gz ZNCXQDCTQMKJTP-IAGOWNOFSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CC[N@H+]4C)C3)on2)cc1 ZINC000879568840 624593717 /nfs/dbraw/zinc/59/37/17/624593717.db2.gz DHFAZBYAEIOZRR-APWZRJJASA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568840 624593722 /nfs/dbraw/zinc/59/37/22/624593722.db2.gz DHFAZBYAEIOZRR-APWZRJJASA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568840 624593728 /nfs/dbraw/zinc/59/37/28/624593728.db2.gz DHFAZBYAEIOZRR-APWZRJJASA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568840 624593731 /nfs/dbraw/zinc/59/37/31/624593731.db2.gz DHFAZBYAEIOZRR-APWZRJJASA-N 2 2 311.429 3.176 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC000879640006 624618527 /nfs/dbraw/zinc/61/85/27/624618527.db2.gz CQKNRKAQEDLHGC-INIZCTEOSA-N 2 2 301.409 3.370 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC000879640006 624618528 /nfs/dbraw/zinc/61/85/28/624618528.db2.gz CQKNRKAQEDLHGC-INIZCTEOSA-N 2 2 301.409 3.370 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000785477389 624674979 /nfs/dbraw/zinc/67/49/79/624674979.db2.gz PBTSHUBFQRLVMN-HNNXBMFYSA-N 2 2 319.518 3.064 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880132636 624799787 /nfs/dbraw/zinc/79/97/87/624799787.db2.gz PWVFNKQZQTXLAA-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880132636 624799791 /nfs/dbraw/zinc/79/97/91/624799791.db2.gz PWVFNKQZQTXLAA-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880132636 624799795 /nfs/dbraw/zinc/79/97/95/624799795.db2.gz PWVFNKQZQTXLAA-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880132636 624799797 /nfs/dbraw/zinc/79/97/97/624799797.db2.gz PWVFNKQZQTXLAA-OALUTQOASA-N 2 2 302.462 3.241 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132068 624800023 /nfs/dbraw/zinc/80/00/23/624800023.db2.gz NDHRSWNKQIZTKA-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132068 624800024 /nfs/dbraw/zinc/80/00/24/624800024.db2.gz NDHRSWNKQIZTKA-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132068 624800025 /nfs/dbraw/zinc/80/00/25/624800025.db2.gz NDHRSWNKQIZTKA-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132068 624800026 /nfs/dbraw/zinc/80/00/26/624800026.db2.gz NDHRSWNKQIZTKA-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)C1CCOCC1 ZINC000786165230 624815059 /nfs/dbraw/zinc/81/50/59/624815059.db2.gz KTLWYDHTDXWLSY-UHFFFAOYSA-N 2 2 313.445 3.476 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC4(CCCCO4)CC3)cc2)c[nH+]1 ZINC000880457347 624960149 /nfs/dbraw/zinc/96/01/49/624960149.db2.gz MIMPXKNTWSPMKU-UHFFFAOYSA-N 2 2 311.429 3.407 20 0 DGADLP CCOc1ccc(OCC[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880470664 624963529 /nfs/dbraw/zinc/96/35/29/624963529.db2.gz QGYZZJUWCDEAQQ-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP BrC1(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880569391 624979196 /nfs/dbraw/zinc/97/91/96/624979196.db2.gz JFUYYARPZMFYDR-CQSZACIVSA-N 2 2 320.234 3.142 20 0 DGADLP CC(C)(C)OCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569219 624979340 /nfs/dbraw/zinc/97/93/40/624979340.db2.gz JSWTUAUWKNSUNK-KRWDZBQOSA-N 2 2 301.434 3.419 20 0 DGADLP O[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC1CCCC1 ZINC000880569834 624980072 /nfs/dbraw/zinc/98/00/72/624980072.db2.gz QGTFWPSPDYPYIP-MOPGFXCFSA-N 2 2 313.445 3.155 20 0 DGADLP c1cn(C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)c2ccccc2)c[nH+]1 ZINC000880569968 624980217 /nfs/dbraw/zinc/98/02/17/624980217.db2.gz NEMRWWMCDWHUKG-ZWKOTPCHSA-N 2 2 311.429 3.316 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000882883227 625844606 /nfs/dbraw/zinc/84/46/06/625844606.db2.gz RYCOLVHWMPXMHL-UHFFFAOYSA-N 2 2 312.461 3.419 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCOCC2)cc1 ZINC000883165125 625948808 /nfs/dbraw/zinc/94/88/08/625948808.db2.gz WMZMNPVCNPQEND-GOSISDBHSA-N 2 2 317.408 3.170 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000883186362 625960041 /nfs/dbraw/zinc/96/00/41/625960041.db2.gz QLRVWQTWTXHMEP-LIRRHRJNSA-N 2 2 320.452 3.366 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000883186362 625960045 /nfs/dbraw/zinc/96/00/45/625960045.db2.gz QLRVWQTWTXHMEP-LIRRHRJNSA-N 2 2 320.452 3.366 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186354 625960316 /nfs/dbraw/zinc/96/03/16/625960316.db2.gz QEWFUFRSDIZQBK-IBGZPJMESA-N 2 2 314.473 3.256 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186354 625960318 /nfs/dbraw/zinc/96/03/18/625960318.db2.gz QEWFUFRSDIZQBK-IBGZPJMESA-N 2 2 314.473 3.256 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194170 625965196 /nfs/dbraw/zinc/96/51/96/625965196.db2.gz PJABCDOXCJOCGQ-DNVCBOLYSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194170 625965201 /nfs/dbraw/zinc/96/52/01/625965201.db2.gz PJABCDOXCJOCGQ-DNVCBOLYSA-N 2 2 320.452 3.225 20 0 DGADLP Cc1cc([NH+](C)C)ccc1NCc1ncc(C[NH+](C)C)s1 ZINC000796272386 626034313 /nfs/dbraw/zinc/03/43/13/626034313.db2.gz YSHPZTSHSBVJMM-UHFFFAOYSA-N 2 2 304.463 3.191 20 0 DGADLP Cc1ccccc1[C@H](O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000796430269 626049535 /nfs/dbraw/zinc/04/95/35/626049535.db2.gz MTOQSGAXKXMUCD-LJQANCHMSA-N 2 2 313.445 3.027 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000796780375 626081989 /nfs/dbraw/zinc/08/19/89/626081989.db2.gz IOTRTROALVFXPZ-SJLPKXTDSA-N 2 2 321.428 3.094 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253271 626624830 /nfs/dbraw/zinc/62/48/30/626624830.db2.gz NJRSSGPHCXBMCJ-VQIMIIECSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253271 626624832 /nfs/dbraw/zinc/62/48/32/626624832.db2.gz NJRSSGPHCXBMCJ-VQIMIIECSA-N 2 2 313.489 3.462 20 0 DGADLP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+]C[C@H]1CCSC1 ZINC000883345180 626655181 /nfs/dbraw/zinc/65/51/81/626655181.db2.gz UNTDPLICDNCHNL-QAPCUYQASA-N 2 2 317.502 3.136 20 0 DGADLP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+]C[C@H]1CCSC1 ZINC000883345180 626655183 /nfs/dbraw/zinc/65/51/83/626655183.db2.gz UNTDPLICDNCHNL-QAPCUYQASA-N 2 2 317.502 3.136 20 0 DGADLP C[C@@H](CC1CCOCC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387253 626668909 /nfs/dbraw/zinc/66/89/09/626668909.db2.gz UPMPMZMZYDKWGX-QFBILLFUSA-N 2 2 313.445 3.419 20 0 DGADLP CCc1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883397515 626672661 /nfs/dbraw/zinc/67/26/61/626672661.db2.gz ONDJJNVXNDBXOL-MRXNPFEDSA-N 2 2 312.442 3.433 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883397771 626672781 /nfs/dbraw/zinc/67/27/81/626672781.db2.gz VILABXNXNMAVGY-BHIYHBOVSA-N 2 2 313.445 3.419 20 0 DGADLP Clc1cccc2c(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c12 ZINC000804397040 626675841 /nfs/dbraw/zinc/67/58/41/626675841.db2.gz RYOCCKFDXPRXEI-OLZOCXBDSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1cccc2c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c12 ZINC000804397040 626675846 /nfs/dbraw/zinc/67/58/46/626675846.db2.gz RYOCCKFDXPRXEI-OLZOCXBDSA-N 2 2 317.820 3.163 20 0 DGADLP Cn1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000808388770 626819892 /nfs/dbraw/zinc/81/98/92/626819892.db2.gz MTJNORVNBXDBBF-UHFFFAOYSA-N 2 2 312.461 3.086 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000809995897 626967115 /nfs/dbraw/zinc/96/71/15/626967115.db2.gz ZIBDIQUOHIMTSE-UHFFFAOYSA-N 2 2 304.434 3.239 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1O ZINC000810211480 626988252 /nfs/dbraw/zinc/98/82/52/626988252.db2.gz RXRBJKWEXPWUMG-DYVFJYSZSA-N 2 2 317.433 3.363 20 0 DGADLP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000885958016 627069496 /nfs/dbraw/zinc/06/94/96/627069496.db2.gz BPLITDNIARNBRV-SFHVURJKSA-N 2 2 306.494 3.286 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000885999895 627080211 /nfs/dbraw/zinc/08/02/11/627080211.db2.gz PHEPQLMJWAWHHF-PBHICJAKSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000885999895 627080212 /nfs/dbraw/zinc/08/02/12/627080212.db2.gz PHEPQLMJWAWHHF-PBHICJAKSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000886012190 627082972 /nfs/dbraw/zinc/08/29/72/627082972.db2.gz BLWMLYLKWXXBEY-KBXCAEBGSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000886012190 627082977 /nfs/dbraw/zinc/08/29/77/627082977.db2.gz BLWMLYLKWXXBEY-KBXCAEBGSA-N 2 2 312.461 3.169 20 0 DGADLP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(F)c1OC ZINC000886062690 627096829 /nfs/dbraw/zinc/09/68/29/627096829.db2.gz VBVKUIGRKQSGGC-AWEZNQCLSA-N 2 2 324.440 3.197 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@H]3CC[C@H](C4CC4)O3)CC2)c[nH+]1 ZINC000886122504 627108930 /nfs/dbraw/zinc/10/89/30/627108930.db2.gz CFWAPKMSISEVTK-RTBURBONSA-N 2 2 317.477 3.333 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000886174476 627117367 /nfs/dbraw/zinc/11/73/67/627117367.db2.gz BDXUCODDWHOQCB-UHFFFAOYSA-N 2 2 320.380 3.486 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4cccnc43)CC2)cc1 ZINC000886502617 627154215 /nfs/dbraw/zinc/15/42/15/627154215.db2.gz HKWVVTMXRSHHJE-HXUWFJFHSA-N 2 2 321.468 3.366 20 0 DGADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000886526128 627157194 /nfs/dbraw/zinc/15/71/94/627157194.db2.gz FRZUSXVUVDSION-UAGQMJEPSA-N 2 2 318.461 3.047 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000886643131 627179092 /nfs/dbraw/zinc/17/90/92/627179092.db2.gz LRWKYINDYQTOST-SYYJFZTOSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000886643131 627179095 /nfs/dbraw/zinc/17/90/95/627179095.db2.gz LRWKYINDYQTOST-SYYJFZTOSA-N 3 2 319.537 3.390 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nc4ccccc4n3C)CC2)[nH+]c1C ZINC000886664836 627183603 /nfs/dbraw/zinc/18/36/03/627183603.db2.gz YNZVLISBWWMFAE-UHFFFAOYSA-N 2 2 323.444 3.293 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3noc4c3CCCC4)CC2)[nH+]c1C ZINC000886665699 627184147 /nfs/dbraw/zinc/18/41/47/627184147.db2.gz DVJWKKAHERWRER-UHFFFAOYSA-N 2 2 314.433 3.273 20 0 DGADLP CCCCc1noc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)n1 ZINC000886672210 627185990 /nfs/dbraw/zinc/18/59/90/627185990.db2.gz LAPPOQXDJVXVOZ-UHFFFAOYSA-N 2 2 317.437 3.132 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822172 627208580 /nfs/dbraw/zinc/20/85/80/627208580.db2.gz NAODBDLYIKCHDK-HKUYNNGSSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822172 627208581 /nfs/dbraw/zinc/20/85/81/627208581.db2.gz NAODBDLYIKCHDK-HKUYNNGSSA-N 2 2 311.429 3.182 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869999 627211601 /nfs/dbraw/zinc/21/16/01/627211601.db2.gz NAQPAGJBHBFDFL-KRWDZBQOSA-N 2 2 310.388 3.254 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869999 627211603 /nfs/dbraw/zinc/21/16/03/627211603.db2.gz NAQPAGJBHBFDFL-KRWDZBQOSA-N 2 2 310.388 3.254 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1C ZINC000813857609 627515994 /nfs/dbraw/zinc/51/59/94/627515994.db2.gz KEJHVWVHIBZHMD-ZRGWGRIASA-N 2 2 301.478 3.356 20 0 DGADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc2ccccc21 ZINC000815060839 627621391 /nfs/dbraw/zinc/62/13/91/627621391.db2.gz VAGIMDUAPOYYSR-IBGZPJMESA-N 2 2 321.424 3.476 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1cccc2ccccc21 ZINC000815079317 627623597 /nfs/dbraw/zinc/62/35/97/627623597.db2.gz PFOULCIQLXYUJR-IBGZPJMESA-N 2 2 309.413 3.092 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)c1cccc2ccccc21 ZINC000815079317 627623602 /nfs/dbraw/zinc/62/36/02/627623602.db2.gz PFOULCIQLXYUJR-IBGZPJMESA-N 2 2 309.413 3.092 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)c1ccccc1 ZINC000924535036 627646334 /nfs/dbraw/zinc/64/63/34/627646334.db2.gz YZVXFTBXYXHPGG-XYJFISCASA-N 2 2 304.478 3.330 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccns1 ZINC000924600946 627655824 /nfs/dbraw/zinc/65/58/24/627655824.db2.gz BREMZWLAKQVTII-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccns1 ZINC000924600946 627655826 /nfs/dbraw/zinc/65/58/26/627655826.db2.gz BREMZWLAKQVTII-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCOC34CCCCC4)CC2)[nH+]c1 ZINC000924672383 627665788 /nfs/dbraw/zinc/66/57/88/627665788.db2.gz PGBXKRWFKAXYLT-QGZVFWFLSA-N 2 2 315.461 3.132 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924696859 627669525 /nfs/dbraw/zinc/66/95/25/627669525.db2.gz QOBRYDKWVPODRH-IOASZLSFSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924696859 627669527 /nfs/dbraw/zinc/66/95/27/627669527.db2.gz QOBRYDKWVPODRH-IOASZLSFSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccnc2c1CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000924733985 627675159 /nfs/dbraw/zinc/67/51/59/627675159.db2.gz XBVHEQGBRNABOX-OAHLLOKOSA-N 2 2 304.825 3.379 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c[nH+]1 ZINC000924768562 627677784 /nfs/dbraw/zinc/67/77/84/627677784.db2.gz HBHHFWJRQIAZDS-HKUYNNGSSA-N 2 2 311.429 3.167 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(O)cc(F)c1 ZINC000924926071 627694224 /nfs/dbraw/zinc/69/42/24/627694224.db2.gz JKEJRDMJTOHISI-CYBMUJFWSA-N 2 2 303.381 3.469 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cn2c(n1)CCCC2 ZINC000924928153 627694352 /nfs/dbraw/zinc/69/43/52/627694352.db2.gz UUOYQCZJTNDLOF-HNNXBMFYSA-N 2 2 313.449 3.157 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010206 627701013 /nfs/dbraw/zinc/70/10/13/627701013.db2.gz FDGATDNHOQPEQT-KSSFIOAISA-N 2 2 302.462 3.049 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010206 627701015 /nfs/dbraw/zinc/70/10/15/627701015.db2.gz FDGATDNHOQPEQT-KSSFIOAISA-N 2 2 302.462 3.049 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010202 627701408 /nfs/dbraw/zinc/70/14/08/627701408.db2.gz FDGATDNHOQPEQT-KDOFPFPSSA-N 2 2 302.462 3.049 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010202 627701411 /nfs/dbraw/zinc/70/14/11/627701411.db2.gz FDGATDNHOQPEQT-KDOFPFPSSA-N 2 2 302.462 3.049 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1[C@H](C)COC[C@H]1C)c1ccccc1 ZINC000925058059 627704686 /nfs/dbraw/zinc/70/46/86/627704686.db2.gz PYDFDYFCZADSFP-OAGGEKHMSA-N 2 2 304.478 3.376 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccnnc1 ZINC000925136369 627712514 /nfs/dbraw/zinc/71/25/14/627712514.db2.gz OAYISTBVVIZIJL-YSVLISHTSA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccnnc1 ZINC000925136369 627712536 /nfs/dbraw/zinc/71/25/36/627712536.db2.gz OAYISTBVVIZIJL-YSVLISHTSA-N 2 2 316.474 3.272 20 0 DGADLP CSC1CC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000925149620 627713435 /nfs/dbraw/zinc/71/34/35/627713435.db2.gz SOHUIOMSRPDGFN-UHFFFAOYSA-N 2 2 319.518 3.205 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCCNc2cccc[nH+]2)nc1 ZINC000925232261 627721922 /nfs/dbraw/zinc/72/19/22/627721922.db2.gz MAWOKEIOJOFGQQ-FUHWJXTLSA-N 2 2 310.445 3.280 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000925512877 627745141 /nfs/dbraw/zinc/74/51/41/627745141.db2.gz CSHVKPDNLFQEBX-UAGQMJEPSA-N 3 2 312.461 3.429 20 0 DGADLP Cc1nc2ccccc2n1CC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925521793 627746869 /nfs/dbraw/zinc/74/68/69/627746869.db2.gz WNPIBNAUAQIEFE-LIRRHRJNSA-N 2 2 308.429 3.023 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1nc(C(F)(F)F)cs1 ZINC000925527821 627747906 /nfs/dbraw/zinc/74/79/06/627747906.db2.gz RDQIKHAKIQHDBX-IVZWLZJFSA-N 2 2 319.396 3.473 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(-c2cccnc2)cc1 ZINC000925528565 627748498 /nfs/dbraw/zinc/74/84/98/627748498.db2.gz FRFSUIZQXNMSSU-IZMLPPOZSA-N 2 2 319.452 3.396 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000925535667 627749381 /nfs/dbraw/zinc/74/93/81/627749381.db2.gz IMCJVHKQSJMXSJ-UZLBHIALSA-N 2 2 320.440 3.093 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539152 627750107 /nfs/dbraw/zinc/75/01/07/627750107.db2.gz ZCFVSHIQTHHCLZ-SQGPQFPESA-N 2 2 309.457 3.191 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553009 627753469 /nfs/dbraw/zinc/75/34/69/627753469.db2.gz MISIXDGOSZCKLV-JENIJYKNSA-N 3 2 303.494 3.319 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553009 627753474 /nfs/dbraw/zinc/75/34/74/627753474.db2.gz MISIXDGOSZCKLV-JENIJYKNSA-N 3 2 303.494 3.319 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])cs1 ZINC000925565161 627755195 /nfs/dbraw/zinc/75/51/95/627755195.db2.gz PPTCMCOGDRTZQD-BBRMVZONSA-N 2 2 303.475 3.487 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925572762 627756945 /nfs/dbraw/zinc/75/69/45/627756945.db2.gz JTVNXFPQKXXTMJ-WXRFYESLSA-N 2 2 316.420 3.316 20 0 DGADLP CC[C@@H]1COC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000925595999 627760668 /nfs/dbraw/zinc/76/06/68/627760668.db2.gz VZANTGLHRNGPNS-NZSAHSFTSA-N 2 2 313.445 3.256 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000925606691 627762215 /nfs/dbraw/zinc/76/22/15/627762215.db2.gz PVAZUUOVUQKRDM-GOSISDBHSA-N 2 2 314.429 3.227 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925611923 627762946 /nfs/dbraw/zinc/76/29/46/627762946.db2.gz OBVJGEHWEGFLRK-CEXWTWQISA-N 2 2 314.473 3.107 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925611923 627762948 /nfs/dbraw/zinc/76/29/48/627762948.db2.gz OBVJGEHWEGFLRK-CEXWTWQISA-N 2 2 314.473 3.107 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1 ZINC000925632049 627765744 /nfs/dbraw/zinc/76/57/44/627765744.db2.gz ZILIDHUBHRBUPO-MGPUTAFESA-N 2 2 320.440 3.265 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000925678540 627775497 /nfs/dbraw/zinc/77/54/97/627775497.db2.gz VPDNMSBJQBNORY-LRDDRELGSA-N 2 2 323.362 3.321 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925725385 627782684 /nfs/dbraw/zinc/78/26/84/627782684.db2.gz SYECDIBYGONWCZ-PMPSAXMXSA-N 2 2 306.837 3.044 20 0 DGADLP Fc1ccc2onc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)c2c1 ZINC000925734738 627784560 /nfs/dbraw/zinc/78/45/60/627784560.db2.gz RDHWQMHIPZYKQX-HZPDHXFCSA-N 2 2 317.408 3.225 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1F ZINC000925781612 627794565 /nfs/dbraw/zinc/79/45/65/627794565.db2.gz ISRGGXHUMGOJRK-QMTHXVAHSA-N 2 2 304.331 3.250 20 0 DGADLP Cc1cc([C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c2cccnc2)ccc1F ZINC000925784039 627794920 /nfs/dbraw/zinc/79/49/20/627794920.db2.gz HQDZKSCNFCNEMB-DKSSEZFCSA-N 2 2 313.420 3.064 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2F)n1 ZINC000925787651 627795367 /nfs/dbraw/zinc/79/53/67/627795367.db2.gz ZAMQAKRBSLQSMO-AGIUHOORSA-N 2 2 319.449 3.455 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nccc2c1CCCC2 ZINC000925805940 627798673 /nfs/dbraw/zinc/79/86/73/627798673.db2.gz MSOPZMVDIUEIBP-BEFAXECRSA-N 2 2 309.457 3.009 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819896 627799855 /nfs/dbraw/zinc/79/98/55/627799855.db2.gz ARPVSBUPZHZHAQ-OTBHMBEGSA-N 3 2 315.505 3.462 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2ccccn2)cc1 ZINC000925815554 627800152 /nfs/dbraw/zinc/80/01/52/627800152.db2.gz XZQVYOFPXLKJPQ-PXNSSMCTSA-N 2 2 318.424 3.281 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2ccccn2)cc1 ZINC000925815553 627800206 /nfs/dbraw/zinc/80/02/06/627800206.db2.gz XZQVYOFPXLKJPQ-FXAWDEMLSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cnc2ccccc2c1)c1ccccc1 ZINC000925834456 627802353 /nfs/dbraw/zinc/80/23/53/627802353.db2.gz XHTUFWOIBWFLGJ-FOIQADDNSA-N 2 2 305.425 3.455 20 0 DGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926215955 627863378 /nfs/dbraw/zinc/86/33/78/627863378.db2.gz DHFMZTFECZAMCK-ACZWYYKOSA-N 2 2 316.489 3.158 20 0 DGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926215955 627863379 /nfs/dbraw/zinc/86/33/79/627863379.db2.gz DHFMZTFECZAMCK-ACZWYYKOSA-N 2 2 316.489 3.158 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC000926677985 627930838 /nfs/dbraw/zinc/93/08/38/627930838.db2.gz JIGFKEWWVZJPEM-UHFFFAOYSA-N 2 2 301.434 3.428 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926681935 627931842 /nfs/dbraw/zinc/93/18/42/627931842.db2.gz DLKAKSUPHWYHJO-RYQLBKOJSA-N 2 2 301.478 3.255 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926681935 627931845 /nfs/dbraw/zinc/93/18/45/627931845.db2.gz DLKAKSUPHWYHJO-RYQLBKOJSA-N 2 2 301.478 3.255 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1coc2ccccc12 ZINC000926718750 627939303 /nfs/dbraw/zinc/93/93/03/627939303.db2.gz MZXHGZKYXZCBES-ZBFHGGJFSA-N 2 2 314.429 3.337 20 0 DGADLP C([NH2+][C@@H](C1CC1)C1CCOCC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926744326 627944860 /nfs/dbraw/zinc/94/48/60/627944860.db2.gz ILXUSTXKAQNJBL-OALUTQOASA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H](C1CC1)C1CCOCC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926744326 627944864 /nfs/dbraw/zinc/94/48/64/627944864.db2.gz ILXUSTXKAQNJBL-OALUTQOASA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000817895006 627954770 /nfs/dbraw/zinc/95/47/70/627954770.db2.gz SIRNPTTWCQUUFK-ZTFGCOKTSA-N 2 2 304.478 3.138 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817894902 627954780 /nfs/dbraw/zinc/95/47/80/627954780.db2.gz SIRNPTTWCQUUFK-JLSDUUJJSA-N 2 2 304.478 3.138 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817905565 627957727 /nfs/dbraw/zinc/95/77/27/627957727.db2.gz OWBNHHLLGXHKKA-ILXRZTDVSA-N 2 2 317.260 3.147 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926723 627964089 /nfs/dbraw/zinc/96/40/89/627964089.db2.gz SUGDEKJEYOWHRJ-UTUOFQBUSA-N 2 2 301.217 3.286 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000817962704 627976702 /nfs/dbraw/zinc/97/67/02/627976702.db2.gz NLCJTQYBXRWYHS-ZYHUDNBSSA-N 2 2 300.244 3.012 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CCC1 ZINC000926961147 627990002 /nfs/dbraw/zinc/99/00/02/627990002.db2.gz WPQLAHFEFCIOEE-KRWDZBQOSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1CCC1 ZINC000926961147 627990005 /nfs/dbraw/zinc/99/00/05/627990005.db2.gz WPQLAHFEFCIOEE-KRWDZBQOSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959246 627990164 /nfs/dbraw/zinc/99/01/64/627990164.db2.gz QVNCHALJELOYRR-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959246 627990171 /nfs/dbraw/zinc/99/01/71/627990171.db2.gz QVNCHALJELOYRR-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)o1 ZINC000926969171 627990597 /nfs/dbraw/zinc/99/05/97/627990597.db2.gz DQJJJBKBVFIKFQ-IAGOWNOFSA-N 2 2 313.445 3.285 20 0 DGADLP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)o1 ZINC000926969171 627990602 /nfs/dbraw/zinc/99/06/02/627990602.db2.gz DQJJJBKBVFIKFQ-IAGOWNOFSA-N 2 2 313.445 3.285 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCCC4(CCC4)O3)CC2)[nH+]c1 ZINC000927012734 627996856 /nfs/dbraw/zinc/99/68/56/627996856.db2.gz BCPRXZYTJSRAQS-KRWDZBQOSA-N 2 2 315.461 3.132 20 0 DGADLP COC(OC)c1ccc(F)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000818174305 628000944 /nfs/dbraw/zinc/00/09/44/628000944.db2.gz OTXSWBPARJYVGC-UHFFFAOYSA-N 2 2 324.440 3.083 20 0 DGADLP Cc1ccc(NCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000927069958 628007683 /nfs/dbraw/zinc/00/76/83/628007683.db2.gz FDHUWRSNJTWFPS-INIZCTEOSA-N 2 2 321.428 3.338 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000927111591 628018148 /nfs/dbraw/zinc/01/81/48/628018148.db2.gz HEOUAQADIKXWDD-HSALFYBXSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000927111591 628018152 /nfs/dbraw/zinc/01/81/52/628018152.db2.gz HEOUAQADIKXWDD-HSALFYBXSA-N 2 2 314.473 3.297 20 0 DGADLP CC(C)C[C@H](C[NH2+]C[C@@H](O)C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000819387504 628145419 /nfs/dbraw/zinc/14/54/19/628145419.db2.gz MRIGXEVTXNEHKU-ATZDWAIDSA-N 2 2 304.478 3.112 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@](C)(O)c1ccccc1 ZINC000822517022 628460043 /nfs/dbraw/zinc/46/00/43/628460043.db2.gz SVURDTKNFLPANZ-HXUWFJFHSA-N 2 2 321.424 3.212 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@](C)(O)c1ccccc1 ZINC000822517022 628460045 /nfs/dbraw/zinc/46/00/45/628460045.db2.gz SVURDTKNFLPANZ-HXUWFJFHSA-N 2 2 321.424 3.212 20 0 DGADLP CC[C@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824744102 628688900 /nfs/dbraw/zinc/68/89/00/628688900.db2.gz ZXZDLVNHNQWSLO-LJQANCHMSA-N 2 2 319.493 3.126 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1Cl ZINC000841086650 630405964 /nfs/dbraw/zinc/40/59/64/630405964.db2.gz BUVJKKXMRRPJMP-MLGOLLRUSA-N 2 2 312.889 3.062 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1Cl ZINC000841086650 630405967 /nfs/dbraw/zinc/40/59/67/630405967.db2.gz BUVJKKXMRRPJMP-MLGOLLRUSA-N 2 2 312.889 3.062 20 0 DGADLP Cc1cc([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC1CCOCC1 ZINC000841092793 630406609 /nfs/dbraw/zinc/40/66/09/630406609.db2.gz GUXYYHAEPHYNQU-HOTGVXAUSA-N 2 2 318.461 3.353 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843047473 630608559 /nfs/dbraw/zinc/60/85/59/630608559.db2.gz ORQDUAIGQDUDHR-CQSZACIVSA-N 2 2 318.852 3.005 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843047473 630608561 /nfs/dbraw/zinc/60/85/61/630608561.db2.gz ORQDUAIGQDUDHR-CQSZACIVSA-N 2 2 318.852 3.005 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CCC(C)(C)[NH3+])c2)[nH+]c1C ZINC000844175114 630711430 /nfs/dbraw/zinc/71/14/30/630711430.db2.gz ABRKMHQGRASZJB-UHFFFAOYSA-N 2 2 300.406 3.150 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2ccccc2n1 ZINC000848521400 631675712 /nfs/dbraw/zinc/67/57/12/631675712.db2.gz NWKYGNLUDZGZGK-GDBMZVCRSA-N 2 2 311.433 3.296 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000848575439 631701702 /nfs/dbraw/zinc/70/17/02/631701702.db2.gz QQLGXSCJTMJIBO-DLBZAZTESA-N 2 2 318.461 3.119 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000848575439 631701706 /nfs/dbraw/zinc/70/17/06/631701706.db2.gz QQLGXSCJTMJIBO-DLBZAZTESA-N 2 2 318.461 3.119 20 0 DGADLP CN(C(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000849079645 631828977 /nfs/dbraw/zinc/82/89/77/631828977.db2.gz BTUVUGJLEBUICN-MRXNPFEDSA-N 2 2 320.868 3.095 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000850533088 632183480 /nfs/dbraw/zinc/18/34/80/632183480.db2.gz ZCQAPBLFGDFIMJ-JFIYKMOQSA-N 2 2 313.445 3.109 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC000851947251 632528168 /nfs/dbraw/zinc/52/81/68/632528168.db2.gz PKNSTVGJIMXCAQ-OLZOCXBDSA-N 2 2 309.281 3.032 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC000851947251 632528172 /nfs/dbraw/zinc/52/81/72/632528172.db2.gz PKNSTVGJIMXCAQ-OLZOCXBDSA-N 2 2 309.281 3.032 20 0 DGADLP C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1cscn1)c1cscn1 ZINC000852416262 632600399 /nfs/dbraw/zinc/60/03/99/632600399.db2.gz HAHIUTVXGLDJOM-QSKOYVBTSA-N 2 2 308.476 3.157 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355464 660720687 /nfs/dbraw/zinc/72/06/87/660720687.db2.gz BPMIXRUXWURQNP-WBVHZDCISA-N 2 2 322.880 3.027 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355464 660720688 /nfs/dbraw/zinc/72/06/88/660720688.db2.gz BPMIXRUXWURQNP-WBVHZDCISA-N 2 2 322.880 3.027 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC000793048178 661002051 /nfs/dbraw/zinc/00/20/51/661002051.db2.gz QJTVYDAKYXVMNL-ARFHVFGLSA-N 2 2 320.477 3.270 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1OC ZINC000793048178 661002055 /nfs/dbraw/zinc/00/20/55/661002055.db2.gz QJTVYDAKYXVMNL-ARFHVFGLSA-N 2 2 320.477 3.270 20 0 DGADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1)c1cccc(F)c1 ZINC000303260902 657525835 /nfs/dbraw/zinc/52/58/35/657525835.db2.gz NVVCXPWQDULXTI-INIZCTEOSA-N 2 2 300.381 3.065 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(F)c2Br)C[C@H]1C[NH3+] ZINC000253187820 657660775 /nfs/dbraw/zinc/66/07/75/657660775.db2.gz JKHXKCRPAPWIQF-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2Br)C[C@H]1C[NH3+] ZINC000253187820 657660780 /nfs/dbraw/zinc/66/07/80/657660780.db2.gz JKHXKCRPAPWIQF-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)nn1 ZINC000929510660 661314093 /nfs/dbraw/zinc/31/40/93/661314093.db2.gz PSYNBPRZJZQDIT-SFHVURJKSA-N 2 2 316.493 3.181 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)nn1 ZINC000929510660 661314097 /nfs/dbraw/zinc/31/40/97/661314097.db2.gz PSYNBPRZJZQDIT-SFHVURJKSA-N 2 2 316.493 3.181 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929750511 661334908 /nfs/dbraw/zinc/33/49/08/661334908.db2.gz UYUYDARTUSGAMG-SOUVJXGZSA-N 2 2 322.415 3.150 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929750511 661334911 /nfs/dbraw/zinc/33/49/11/661334911.db2.gz UYUYDARTUSGAMG-SOUVJXGZSA-N 2 2 322.415 3.150 20 0 DGADLP CCCc1ccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931285708 661464226 /nfs/dbraw/zinc/46/42/26/661464226.db2.gz CCKHVKWASQZAEY-UHFFFAOYSA-N 2 2 316.489 3.326 20 0 DGADLP CCCc1ccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931285708 661464228 /nfs/dbraw/zinc/46/42/28/661464228.db2.gz CCKHVKWASQZAEY-UHFFFAOYSA-N 2 2 316.489 3.326 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620029 661493528 /nfs/dbraw/zinc/49/35/28/661493528.db2.gz CPRPWOWIUVDKHZ-YYIAUSFCSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620029 661493529 /nfs/dbraw/zinc/49/35/29/661493529.db2.gz CPRPWOWIUVDKHZ-YYIAUSFCSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620029 661493530 /nfs/dbraw/zinc/49/35/30/661493530.db2.gz CPRPWOWIUVDKHZ-YYIAUSFCSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620029 661493531 /nfs/dbraw/zinc/49/35/31/661493531.db2.gz CPRPWOWIUVDKHZ-YYIAUSFCSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620537 661493544 /nfs/dbraw/zinc/49/35/44/661493544.db2.gz GTXDFCQNIKSDSV-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620537 661493545 /nfs/dbraw/zinc/49/35/45/661493545.db2.gz GTXDFCQNIKSDSV-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620537 661493546 /nfs/dbraw/zinc/49/35/46/661493546.db2.gz GTXDFCQNIKSDSV-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620537 661493547 /nfs/dbraw/zinc/49/35/47/661493547.db2.gz GTXDFCQNIKSDSV-RCCFBDPRSA-N 2 2 306.494 3.427 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933241262 661625297 /nfs/dbraw/zinc/62/52/97/661625297.db2.gz JWGLDOHDMVBJOJ-OAHLLOKOSA-N 2 2 318.383 3.060 20 0 DGADLP C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000088735427 662234255 /nfs/dbraw/zinc/23/42/55/662234255.db2.gz ZPUFVBULTWACHO-HNAYVOBHSA-N 2 2 301.478 3.500 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095170 662247294 /nfs/dbraw/zinc/24/72/94/662247294.db2.gz IWYVBQHUQGTFJX-ZFWWWQNUSA-N 2 2 318.852 3.063 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095170 662247297 /nfs/dbraw/zinc/24/72/97/662247297.db2.gz IWYVBQHUQGTFJX-ZFWWWQNUSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095170 662247300 /nfs/dbraw/zinc/24/73/00/662247300.db2.gz IWYVBQHUQGTFJX-ZFWWWQNUSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095170 662247301 /nfs/dbraw/zinc/24/73/01/662247301.db2.gz IWYVBQHUQGTFJX-ZFWWWQNUSA-N 2 2 318.852 3.063 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091666196 662312563 /nfs/dbraw/zinc/31/25/63/662312563.db2.gz ZYLSQLSYHOJIDQ-IKGGRYGDSA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091666196 662312564 /nfs/dbraw/zinc/31/25/64/662312564.db2.gz ZYLSQLSYHOJIDQ-IKGGRYGDSA-N 2 2 308.853 3.244 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958694 685220029 /nfs/dbraw/zinc/22/00/29/685220029.db2.gz KSVGLBJTXURIAL-IMFGXOCKSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958694 685220037 /nfs/dbraw/zinc/22/00/37/685220037.db2.gz KSVGLBJTXURIAL-IMFGXOCKSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597304 1191850749 /nfs/dbraw/zinc/85/07/49/1191850749.db2.gz FIGKWJHJAZAVSE-IKGGRYGDSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597304 1191850773 /nfs/dbraw/zinc/85/07/73/1191850773.db2.gz FIGKWJHJAZAVSE-IKGGRYGDSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001576669913 1191860789 /nfs/dbraw/zinc/86/07/89/1191860789.db2.gz CAYFDQMDAKNWPM-IEBWSBKVSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001576669913 1191860798 /nfs/dbraw/zinc/86/07/98/1191860798.db2.gz CAYFDQMDAKNWPM-IEBWSBKVSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC001576671216 1191861165 /nfs/dbraw/zinc/86/11/65/1191861165.db2.gz UTZGMVOEQMAENW-HOJAQTOUSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC001576671216 1191861168 /nfs/dbraw/zinc/86/11/68/1191861168.db2.gz UTZGMVOEQMAENW-HOJAQTOUSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccc(Cl)nc1Cl ZINC001576690292 1191863582 /nfs/dbraw/zinc/86/35/82/1191863582.db2.gz IUPVIJBJNCUHNF-YGRLFVJLSA-N 2 2 302.249 3.386 20 0 DGADLP CCOCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC001578122019 1191927294 /nfs/dbraw/zinc/92/72/94/1191927294.db2.gz IYDSSFRIAARYTL-OALUTQOASA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC001578122019 1191927298 /nfs/dbraw/zinc/92/72/98/1191927298.db2.gz IYDSSFRIAARYTL-OALUTQOASA-N 2 2 318.461 3.166 20 0 DGADLP CCc1ccc(CC[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC001578257832 1191934483 /nfs/dbraw/zinc/93/44/83/1191934483.db2.gz SGHYIAQQWQMJIG-VQTJNVASSA-N 2 2 312.432 3.357 20 0 DGADLP CCc1ccc(CC[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC001578257832 1191934486 /nfs/dbraw/zinc/93/44/86/1191934486.db2.gz SGHYIAQQWQMJIG-VQTJNVASSA-N 2 2 312.432 3.357 20 0 DGADLP Cc1cc(C)c2cc(N[C@H]3C[C@@H]([NH3+])C34CCOCC4)ccc2[nH+]1 ZINC001579576927 1191980414 /nfs/dbraw/zinc/98/04/14/1191980414.db2.gz SNBCQLHSBUYGBJ-MSOLQXFVSA-N 2 2 311.429 3.160 20 0 DGADLP Cc1cccnc1[C@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C(C)(C)C ZINC001579808148 1191994847 /nfs/dbraw/zinc/99/48/47/1191994847.db2.gz ZSRHKVVZGGSEAO-YPMHNXCESA-N 2 2 303.372 3.347 20 0 DGADLP Cc1cccnc1[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C(C)(C)C ZINC001579808146 1191994999 /nfs/dbraw/zinc/99/49/99/1191994999.db2.gz ZSRHKVVZGGSEAO-WCQYABFASA-N 2 2 303.372 3.347 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC001580029398 1192003341 /nfs/dbraw/zinc/00/33/41/1192003341.db2.gz PYKLODFQNUTSSN-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC001580029398 1192003347 /nfs/dbraw/zinc/00/33/47/1192003347.db2.gz PYKLODFQNUTSSN-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cc(F)c(F)c(C[NH2+]Cc2cccc3c2CC[NH2+]C3)c1F ZINC001580029464 1192003363 /nfs/dbraw/zinc/00/33/63/1192003363.db2.gz TVOPEINCZZABON-UHFFFAOYSA-N 2 2 324.321 3.179 20 0 DGADLP Fc1ccccc1C1([NH2+]Cc2nc3c(s2)C[NH2+]CC3)CCC1 ZINC001580035278 1192003911 /nfs/dbraw/zinc/00/39/11/1192003911.db2.gz XKGNIOSASKSRSK-UHFFFAOYSA-N 2 2 317.433 3.097 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C12CCC2 ZINC001580162691 1192010671 /nfs/dbraw/zinc/01/06/71/1192010671.db2.gz DCCCCBPETABUGH-GJZGRUSLSA-N 2 2 317.433 3.309 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157699 1192010920 /nfs/dbraw/zinc/01/09/20/1192010920.db2.gz KIBGBOASTKLHCM-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157699 1192010922 /nfs/dbraw/zinc/01/09/22/1192010922.db2.gz KIBGBOASTKLHCM-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC001580395363 1192025023 /nfs/dbraw/zinc/02/50/23/1192025023.db2.gz KBVGNDRDXKVGEZ-QFBILLFUSA-N 2 2 316.395 3.324 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC001580395363 1192025028 /nfs/dbraw/zinc/02/50/28/1192025028.db2.gz KBVGNDRDXKVGEZ-QFBILLFUSA-N 2 2 316.395 3.324 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)CC1 ZINC001620678613 1192063790 /nfs/dbraw/zinc/06/37/90/1192063790.db2.gz CTFYHMIAPKVCGU-KRWDZBQOSA-N 2 2 317.477 3.339 20 0 DGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnsc1 ZINC001620832635 1192321278 /nfs/dbraw/zinc/32/12/78/1192321278.db2.gz MEGUZVZPFWCOPZ-GJZGRUSLSA-N 2 2 315.486 3.389 20 0 DGADLP CCn1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC001620871701 1192502116 /nfs/dbraw/zinc/50/21/16/1192502116.db2.gz MNGVVXYRMKNNNF-LJQANCHMSA-N 2 2 323.444 3.247 20 0 DGADLP CCCC[N@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001691187267 1176368958 /nfs/dbraw/zinc/36/89/58/1176368958.db2.gz AIBCZLHCXYXUNX-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCC[N@@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001691187267 1176368968 /nfs/dbraw/zinc/36/89/68/1176368968.db2.gz AIBCZLHCXYXUNX-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP Cc1ccnc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000328093066 1176637070 /nfs/dbraw/zinc/63/70/70/1176637070.db2.gz JFTKJZYOBGISBU-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP CCC[N@H+](Cc1ccc(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000395141256 1176785754 /nfs/dbraw/zinc/78/57/54/1176785754.db2.gz YMNURHVBCVERTJ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1ccc(Br)cc1C)[C@H]1CC[NH2+]C1 ZINC000395141256 1176785763 /nfs/dbraw/zinc/78/57/63/1176785763.db2.gz YMNURHVBCVERTJ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC000110926138 1177875224 /nfs/dbraw/zinc/87/52/24/1177875224.db2.gz ZTVDANFVRRGPAP-CYBMUJFWSA-N 2 2 322.250 3.114 20 0 DGADLP C[N@@H+](Cc1c[nH]c2ccc(Br)cc12)[C@@H]1CCC[NH2+]C1 ZINC000110926138 1177875236 /nfs/dbraw/zinc/87/52/36/1177875236.db2.gz ZTVDANFVRRGPAP-CYBMUJFWSA-N 2 2 322.250 3.114 20 0 DGADLP Cc1nc(N2CCC[C@@H]2C[NH+](C)C)cc(C2CCCCC2)[nH+]1 ZINC001165078144 1178051604 /nfs/dbraw/zinc/05/16/04/1178051604.db2.gz UQPIFIQPDVWHIB-MRXNPFEDSA-N 2 2 302.466 3.363 20 0 DGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001330981580 1178105165 /nfs/dbraw/zinc/10/51/65/1178105165.db2.gz IOVMPJDWEWRVFI-JKSUJKDBSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)cc2)[nH+]c1C ZINC001331419652 1178208920 /nfs/dbraw/zinc/20/89/20/1178208920.db2.gz NDWLPLZUUMHPEP-GJZGRUSLSA-N 2 2 312.417 3.005 20 0 DGADLP COC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC001331741982 1178277690 /nfs/dbraw/zinc/27/76/90/1178277690.db2.gz MIJVBYIKSBBLDQ-UHFFFAOYSA-N 2 2 305.809 3.184 20 0 DGADLP C[C@@H]([NH2+]Cc1cnn2ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC001331924613 1178310295 /nfs/dbraw/zinc/31/02/95/1178310295.db2.gz MFPGYTSSRHHCGW-OAHLLOKOSA-N 2 2 317.396 3.371 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001333021079 1178540541 /nfs/dbraw/zinc/54/05/41/1178540541.db2.gz BORAPXXRSWMQSH-CVEARBPZSA-N 2 2 305.466 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC001333021079 1178540550 /nfs/dbraw/zinc/54/05/50/1178540550.db2.gz BORAPXXRSWMQSH-CVEARBPZSA-N 2 2 305.466 3.022 20 0 DGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001334391655 1178758745 /nfs/dbraw/zinc/75/87/45/1178758745.db2.gz XALFYGBHLZBLCY-APWZRJJASA-N 2 2 319.493 3.180 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC001335212414 1178871031 /nfs/dbraw/zinc/87/10/31/1178871031.db2.gz RIQPRIWCWFPDBI-CZUORRHYSA-N 2 2 308.853 3.233 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC001335212414 1178871044 /nfs/dbraw/zinc/87/10/44/1178871044.db2.gz RIQPRIWCWFPDBI-CZUORRHYSA-N 2 2 308.853 3.233 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)n3cc[nH+]c3)c2C1 ZINC001341537170 1179025456 /nfs/dbraw/zinc/02/54/56/1179025456.db2.gz DINFCLZTZPTKLP-AWEZNQCLSA-N 2 2 312.417 3.054 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)n3cc[nH+]c3)c2C1 ZINC001341537170 1179025462 /nfs/dbraw/zinc/02/54/62/1179025462.db2.gz DINFCLZTZPTKLP-AWEZNQCLSA-N 2 2 312.417 3.054 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC001341945941 1179084779 /nfs/dbraw/zinc/08/47/79/1179084779.db2.gz QTTNTDQPDMWTLU-YLJYHZDGSA-N 2 2 309.457 3.493 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC001341945941 1179084786 /nfs/dbraw/zinc/08/47/86/1179084786.db2.gz QTTNTDQPDMWTLU-YLJYHZDGSA-N 2 2 309.457 3.493 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@H]([NH3+])CC(C)C)cc2)[nH+]c1C ZINC001342377716 1179135414 /nfs/dbraw/zinc/13/54/14/1179135414.db2.gz RRYLLFPUOSNKPL-OAHLLOKOSA-N 2 2 314.433 3.396 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC001345077445 1179523214 /nfs/dbraw/zinc/52/32/14/1179523214.db2.gz QNMRVUPSHYXNPY-CRAIPNDOSA-N 2 2 314.429 3.288 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC001345077445 1179523217 /nfs/dbraw/zinc/52/32/17/1179523217.db2.gz QNMRVUPSHYXNPY-CRAIPNDOSA-N 2 2 314.429 3.288 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC001346423223 1179699463 /nfs/dbraw/zinc/69/94/63/1179699463.db2.gz MEFLXTIGHPXYIT-LBPRGKRZSA-N 2 2 322.815 3.062 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC001346423223 1179699466 /nfs/dbraw/zinc/69/94/66/1179699466.db2.gz MEFLXTIGHPXYIT-LBPRGKRZSA-N 2 2 322.815 3.062 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372015 1180062644 /nfs/dbraw/zinc/06/26/44/1180062644.db2.gz XEMDXTYUEQCOSK-AEFFLSMTSA-N 2 2 319.493 3.270 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372015 1180062650 /nfs/dbraw/zinc/06/26/50/1180062650.db2.gz XEMDXTYUEQCOSK-AEFFLSMTSA-N 2 2 319.493 3.270 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC001353583323 1180597029 /nfs/dbraw/zinc/59/70/29/1180597029.db2.gz FKTYLHWGLUIQAL-INIZCTEOSA-N 2 2 324.472 3.233 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001353583323 1180597031 /nfs/dbraw/zinc/59/70/31/1180597031.db2.gz FKTYLHWGLUIQAL-INIZCTEOSA-N 2 2 324.472 3.233 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cnn1C ZINC001353899923 1180679374 /nfs/dbraw/zinc/67/93/74/1180679374.db2.gz RUNLYWVRKJQHEG-KBPBESRZSA-N 2 2 309.417 3.326 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(Br)cc1F ZINC001579601226 1181828748 /nfs/dbraw/zinc/82/87/48/1181828748.db2.gz KZZKHTKICOLNDR-ZYHUDNBSSA-N 2 2 315.230 3.127 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459939706 1182630892 /nfs/dbraw/zinc/63/08/92/1182630892.db2.gz UYEMHSXPJQYFOM-TZMCWYRMSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459939706 1182630899 /nfs/dbraw/zinc/63/08/99/1182630899.db2.gz UYEMHSXPJQYFOM-TZMCWYRMSA-N 2 2 324.900 3.125 20 0 DGADLP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001460090191 1182650481 /nfs/dbraw/zinc/65/04/81/1182650481.db2.gz QAGKZAAYYRIFEU-ROUUACIJSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001460090191 1182650485 /nfs/dbraw/zinc/65/04/85/1182650485.db2.gz QAGKZAAYYRIFEU-ROUUACIJSA-N 2 2 308.510 3.390 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460628651 1182702130 /nfs/dbraw/zinc/70/21/30/1182702130.db2.gz YDUPQSJMIIONJT-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460628651 1182702136 /nfs/dbraw/zinc/70/21/36/1182702136.db2.gz YDUPQSJMIIONJT-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CCN1c1cc[nH+]cc1 ZINC001460712695 1182712089 /nfs/dbraw/zinc/71/20/89/1182712089.db2.gz WMQGXWMVJHTEBC-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CCN1c1cc[nH+]cc1 ZINC001460712695 1182712093 /nfs/dbraw/zinc/71/20/93/1182712093.db2.gz WMQGXWMVJHTEBC-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001460777303 1182721198 /nfs/dbraw/zinc/72/11/98/1182721198.db2.gz ZHHFRJBOTWWEFZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001460777303 1182721204 /nfs/dbraw/zinc/72/12/04/1182721204.db2.gz ZHHFRJBOTWWEFZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001460777303 1182721210 /nfs/dbraw/zinc/72/12/10/1182721210.db2.gz ZHHFRJBOTWWEFZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001460777303 1182721215 /nfs/dbraw/zinc/72/12/15/1182721215.db2.gz ZHHFRJBOTWWEFZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@@H+]1C[C@]23C[NH+](CCSC(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001460977919 1182749327 /nfs/dbraw/zinc/74/93/27/1182749327.db2.gz RMLVIHWYJLEART-BETUJISGSA-N 2 2 308.413 3.047 20 0 DGADLP C[N@H+]1C[C@]23C[NH+](CCSC(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001460977919 1182749333 /nfs/dbraw/zinc/74/93/33/1182749333.db2.gz RMLVIHWYJLEART-BETUJISGSA-N 2 2 308.413 3.047 20 0 DGADLP C[NH+]1C[C@]23C[N@H+](CCSC(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001460977919 1182749338 /nfs/dbraw/zinc/74/93/38/1182749338.db2.gz RMLVIHWYJLEART-BETUJISGSA-N 2 2 308.413 3.047 20 0 DGADLP C[NH+]1C[C@]23C[N@@H+](CCSC(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001460977919 1182749340 /nfs/dbraw/zinc/74/93/40/1182749340.db2.gz RMLVIHWYJLEART-BETUJISGSA-N 2 2 308.413 3.047 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001460995276 1182753410 /nfs/dbraw/zinc/75/34/10/1182753410.db2.gz LCAYNVVVQWFKBE-SFHVURJKSA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C(C)C)C1 ZINC001460995276 1182753416 /nfs/dbraw/zinc/75/34/16/1182753416.db2.gz LCAYNVVVQWFKBE-SFHVURJKSA-N 2 2 304.478 3.256 20 0 DGADLP C[C@H]1CC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C[C@H](C)C1 ZINC001461235362 1182783356 /nfs/dbraw/zinc/78/33/56/1182783356.db2.gz XWAOWVMEXIPPHK-HZPDHXFCSA-N 2 2 300.490 3.500 20 0 DGADLP CCC(CC)(CCO)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461267451 1182789342 /nfs/dbraw/zinc/78/93/42/1182789342.db2.gz UPVYCPGYRPRHRQ-UHFFFAOYSA-N 2 2 307.463 3.212 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001461299232 1182793350 /nfs/dbraw/zinc/79/33/50/1182793350.db2.gz NZVOFNPIAOAEBE-VQIMIIECSA-N 2 2 317.477 3.056 20 0 DGADLP COc1cccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1OC ZINC001461432656 1182813875 /nfs/dbraw/zinc/81/38/75/1182813875.db2.gz RQMWMCPYVJJXGG-OAHLLOKOSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679797 1182842270 /nfs/dbraw/zinc/84/22/70/1182842270.db2.gz IQDIEZXVYXUQES-KBXCAEBGSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679797 1182842278 /nfs/dbraw/zinc/84/22/78/1182842278.db2.gz IQDIEZXVYXUQES-KBXCAEBGSA-N 2 2 300.446 3.117 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccn2)n1C ZINC001461826035 1182863364 /nfs/dbraw/zinc/86/33/64/1182863364.db2.gz CSTLOPCOQURYTG-SFHVURJKSA-N 2 2 320.440 3.240 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462430737 1182951450 /nfs/dbraw/zinc/95/14/50/1182951450.db2.gz RXOYBIUWYDTTJI-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462430737 1182951457 /nfs/dbraw/zinc/95/14/57/1182951457.db2.gz RXOYBIUWYDTTJI-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C12CCCC2 ZINC001462488351 1182960886 /nfs/dbraw/zinc/96/08/86/1182960886.db2.gz QTRWCOWTYKSEDB-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C12CCCC2 ZINC001462488351 1182960890 /nfs/dbraw/zinc/96/08/90/1182960890.db2.gz QTRWCOWTYKSEDB-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001462667893 1182983592 /nfs/dbraw/zinc/98/35/92/1182983592.db2.gz NNZUIFWNZIMXRL-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCCC34CCOCC4)CC2)[nH]1 ZINC001473205318 1183728395 /nfs/dbraw/zinc/72/83/95/1183728395.db2.gz GVGURWZEOWXGOA-MRXNPFEDSA-N 2 2 303.450 3.186 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c[nH+]1 ZINC001473232505 1183733708 /nfs/dbraw/zinc/73/37/08/1183733708.db2.gz JWPBNLWSPGVTBI-OAHLLOKOSA-N 2 2 309.417 3.029 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c[nH+]1 ZINC001473232505 1183733712 /nfs/dbraw/zinc/73/37/12/1183733712.db2.gz JWPBNLWSPGVTBI-OAHLLOKOSA-N 2 2 309.417 3.029 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001473343683 1183746516 /nfs/dbraw/zinc/74/65/16/1183746516.db2.gz RWPRIKJEQSRIGT-KRWDZBQOSA-N 2 2 305.466 3.477 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001473343683 1183746519 /nfs/dbraw/zinc/74/65/19/1183746519.db2.gz RWPRIKJEQSRIGT-KRWDZBQOSA-N 2 2 305.466 3.477 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716550 1183793537 /nfs/dbraw/zinc/79/35/37/1183793537.db2.gz HOSZVOSHROXUNU-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716550 1183793539 /nfs/dbraw/zinc/79/35/39/1183793539.db2.gz HOSZVOSHROXUNU-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CCN1c1cc[nH+]cc1 ZINC001473760083 1183800196 /nfs/dbraw/zinc/80/01/96/1183800196.db2.gz WBJCKJSIOKTSST-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CCN1c1cc[nH+]cc1 ZINC001473760083 1183800197 /nfs/dbraw/zinc/80/01/97/1183800197.db2.gz WBJCKJSIOKTSST-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]Cc1cccc3c1OCC3)C2 ZINC001473929295 1183830425 /nfs/dbraw/zinc/83/04/25/1183830425.db2.gz BWMGRUULKNSEIP-UHFFFAOYSA-N 2 2 322.452 3.160 20 0 DGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1cccc3c1OCC3)C2 ZINC001473929295 1183830426 /nfs/dbraw/zinc/83/04/26/1183830426.db2.gz BWMGRUULKNSEIP-UHFFFAOYSA-N 2 2 322.452 3.160 20 0 DGADLP CO[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001473951953 1183835514 /nfs/dbraw/zinc/83/55/14/1183835514.db2.gz GISWSBIBOILILC-QGZVFWFLSA-N 2 2 313.426 3.411 20 0 DGADLP CO[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001473951952 1183836369 /nfs/dbraw/zinc/83/63/69/1183836369.db2.gz GISWSBIBOILILC-KRWDZBQOSA-N 2 2 313.426 3.411 20 0 DGADLP COc1cc2c(cc1C[NH2+]CCC[NH+](C(C)C)C(C)C)OCO2 ZINC001474037855 1183856429 /nfs/dbraw/zinc/85/64/29/1183856429.db2.gz HZJRJUISGJEZLT-UHFFFAOYSA-N 2 2 322.449 3.022 20 0 DGADLP C[C@@H](O)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001474222639 1183885694 /nfs/dbraw/zinc/88/56/94/1183885694.db2.gz WAEYFHGXIFUOHM-DNVCBOLYSA-N 2 2 307.397 3.084 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1)C[NH+](C)C ZINC001474262916 1183891769 /nfs/dbraw/zinc/89/17/69/1183891769.db2.gz IGOBRUATWRJBDC-AWEZNQCLSA-N 2 2 318.383 3.070 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317501 1183903262 /nfs/dbraw/zinc/90/32/62/1183903262.db2.gz HQSSSZDARQDVJP-DOMZBBRYSA-N 2 2 320.506 3.175 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317501 1183903268 /nfs/dbraw/zinc/90/32/68/1183903268.db2.gz HQSSSZDARQDVJP-DOMZBBRYSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317501 1183903275 /nfs/dbraw/zinc/90/32/75/1183903275.db2.gz HQSSSZDARQDVJP-DOMZBBRYSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317501 1183903279 /nfs/dbraw/zinc/90/32/79/1183903279.db2.gz HQSSSZDARQDVJP-DOMZBBRYSA-N 2 2 320.506 3.175 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC001474386476 1183913344 /nfs/dbraw/zinc/91/33/44/1183913344.db2.gz PHZXTMFFCIOCNQ-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccnc2N)CC[N@H+]1Cc1ccccc1 ZINC001474386476 1183913345 /nfs/dbraw/zinc/91/33/45/1183913345.db2.gz PHZXTMFFCIOCNQ-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386476 1183913346 /nfs/dbraw/zinc/91/33/46/1183913346.db2.gz PHZXTMFFCIOCNQ-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386476 1183913350 /nfs/dbraw/zinc/91/33/50/1183913350.db2.gz PHZXTMFFCIOCNQ-QFBILLFUSA-N 2 2 324.472 3.149 20 0 DGADLP CO[C@@](C)(C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC001474464830 1183925750 /nfs/dbraw/zinc/92/57/50/1183925750.db2.gz GFCHOJZFAIQHHM-UXHICEINSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@@](C)(C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC001474464830 1183925752 /nfs/dbraw/zinc/92/57/52/1183925752.db2.gz GFCHOJZFAIQHHM-UXHICEINSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CCC(C)C)C2CC2)c(C)[nH+]1 ZINC001480034252 1184414019 /nfs/dbraw/zinc/41/40/19/1184414019.db2.gz MIEZGPTVKRJTFO-KRWDZBQOSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001480507420 1184539767 /nfs/dbraw/zinc/53/97/67/1184539767.db2.gz NKGQJGJQOCXQEN-CZUORRHYSA-N 2 2 319.493 3.397 20 0 DGADLP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001503363890 1186043888 /nfs/dbraw/zinc/04/38/88/1186043888.db2.gz VALTVCJLNZNBPO-LZNQSLFOSA-N 2 2 317.477 3.461 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC001540410468 1188237907 /nfs/dbraw/zinc/23/79/07/1188237907.db2.gz WIBMQSJGENVADN-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC001540410468 1188237912 /nfs/dbraw/zinc/23/79/12/1188237912.db2.gz WIBMQSJGENVADN-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP C/C(=C/c1ccccn1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001543797124 1188363350 /nfs/dbraw/zinc/36/33/50/1188363350.db2.gz ODQBFRXOIJVYNR-QBFSEMIESA-N 2 2 319.368 3.013 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1Cl ZINC001549223308 1188507339 /nfs/dbraw/zinc/50/73/39/1188507339.db2.gz SGHOMOSVDZQJHJ-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1Cl ZINC001549223308 1188507343 /nfs/dbraw/zinc/50/73/43/1188507343.db2.gz SGHOMOSVDZQJHJ-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001549284536 1188510172 /nfs/dbraw/zinc/51/01/72/1188510172.db2.gz QKPYCWPURGWTFL-NUEKZKHPSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001549284536 1188510175 /nfs/dbraw/zinc/51/01/75/1188510175.db2.gz QKPYCWPURGWTFL-NUEKZKHPSA-N 2 2 312.379 3.378 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@H]32)n1C ZINC001549372056 1188515113 /nfs/dbraw/zinc/51/51/13/1188515113.db2.gz JZSRFEUGDIBICE-QYZOEREBSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@H]32)n1C ZINC001549372056 1188515115 /nfs/dbraw/zinc/51/51/15/1188515115.db2.gz JZSRFEUGDIBICE-QYZOEREBSA-N 2 2 311.429 3.223 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001550130396 1188584820 /nfs/dbraw/zinc/58/48/20/1188584820.db2.gz NIVAETMKYUEJTQ-NSHDSACASA-N 2 2 313.323 3.412 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001550130396 1188584822 /nfs/dbraw/zinc/58/48/22/1188584822.db2.gz NIVAETMKYUEJTQ-NSHDSACASA-N 2 2 313.323 3.412 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130517 1188584927 /nfs/dbraw/zinc/58/49/27/1188584927.db2.gz XZINDUHWVGMYPW-CABCVRRESA-N 2 2 305.466 3.193 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130517 1188584931 /nfs/dbraw/zinc/58/49/31/1188584931.db2.gz XZINDUHWVGMYPW-CABCVRRESA-N 2 2 305.466 3.193 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3F)C2)C(C)(C)O1 ZINC001550174500 1188590521 /nfs/dbraw/zinc/59/05/21/1188590521.db2.gz BHZIZYUZMRXQBG-UNEWFSDZSA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3F)C2)C(C)(C)O1 ZINC001550174500 1188590524 /nfs/dbraw/zinc/59/05/24/1188590524.db2.gz BHZIZYUZMRXQBG-UNEWFSDZSA-N 2 2 320.452 3.146 20 0 DGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624703 1188633115 /nfs/dbraw/zinc/63/31/15/1188633115.db2.gz ZAKKBBZTZZSJTO-ZBFHGGJFSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624703 1188633122 /nfs/dbraw/zinc/63/31/22/1188633122.db2.gz ZAKKBBZTZZSJTO-ZBFHGGJFSA-N 2 2 311.429 3.123 20 0 DGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC001551378981 1188731966 /nfs/dbraw/zinc/73/19/66/1188731966.db2.gz VOBZXZCGRFLFTN-ZWOKBUDYSA-N 2 2 324.424 3.123 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCCC[NH2+]C3)c2)[nH+]c1C ZINC001552418915 1188846168 /nfs/dbraw/zinc/84/61/68/1188846168.db2.gz DAFTUJBYTDLYOB-OAHLLOKOSA-N 2 2 312.417 3.022 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1[C@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC001553024166 1188890460 /nfs/dbraw/zinc/89/04/60/1188890460.db2.gz NJKSDIPEIYGRHR-CIRFHOKZSA-N 2 2 316.493 3.208 20 0 DGADLP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC001553026442 1188890891 /nfs/dbraw/zinc/89/08/91/1188890891.db2.gz NNSSCSZCAIKECZ-JYJNAYRXSA-N 2 2 324.827 3.183 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1OC(F)F ZINC001560255345 1189300088 /nfs/dbraw/zinc/30/00/88/1189300088.db2.gz MQLCRCVHMVIFGH-UHFFFAOYSA-N 2 2 307.344 3.039 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001560264898 1189302768 /nfs/dbraw/zinc/30/27/68/1189302768.db2.gz UBERYTOBFVNIRD-UHFFFAOYSA-N 2 2 304.434 3.108 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001560264898 1189302773 /nfs/dbraw/zinc/30/27/73/1189302773.db2.gz UBERYTOBFVNIRD-UHFFFAOYSA-N 2 2 304.434 3.108 20 0 DGADLP CCN(CC[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccc1C ZINC001560271469 1189303302 /nfs/dbraw/zinc/30/33/02/1189303302.db2.gz LUSFURZCPQUXBT-UHFFFAOYSA-N 2 2 312.461 3.072 20 0 DGADLP C[C@H](Cc1ccsc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001560663589 1189356432 /nfs/dbraw/zinc/35/64/32/1189356432.db2.gz PJVWTFIRKWWFRF-GFCCVEGCSA-N 2 2 309.504 3.329 20 0 DGADLP C[C@H](Cc1ccsc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001560663589 1189356436 /nfs/dbraw/zinc/35/64/36/1189356436.db2.gz PJVWTFIRKWWFRF-GFCCVEGCSA-N 2 2 309.504 3.329 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001560954540 1189410258 /nfs/dbraw/zinc/41/02/58/1189410258.db2.gz SYJNXPAEXIFZHS-NRSFXHEJSA-N 2 2 304.503 3.381 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001560954540 1189410259 /nfs/dbraw/zinc/41/02/59/1189410259.db2.gz SYJNXPAEXIFZHS-NRSFXHEJSA-N 2 2 304.503 3.381 20 0 DGADLP CCC[NH2+][C@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001567628446 1190229974 /nfs/dbraw/zinc/22/99/74/1190229974.db2.gz QNPVIXWBIHBHOD-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)cn2cc[nH+]c12 ZINC001569735050 1190752159 /nfs/dbraw/zinc/75/21/59/1190752159.db2.gz BWNVAIYUUSFMMB-UHFFFAOYSA-N 2 2 324.384 3.084 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(C)C)c(C)[nH+]1 ZINC001570536517 1190878767 /nfs/dbraw/zinc/87/87/67/1190878767.db2.gz PUUVOBIPFNHPTN-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@H+](C)CC(C)C)c(C)[nH+]1 ZINC001570536517 1190878774 /nfs/dbraw/zinc/87/87/74/1190878774.db2.gz PUUVOBIPFNHPTN-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001574448079 1191444360 /nfs/dbraw/zinc/44/43/60/1191444360.db2.gz LGRRGBQLXBMQMX-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001574448079 1191444361 /nfs/dbraw/zinc/44/43/61/1191444361.db2.gz LGRRGBQLXBMQMX-GDBMZVCRSA-N 2 2 323.278 3.066 20 0 DGADLP CC(C)c1cccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC001575859625 1191513075 /nfs/dbraw/zinc/51/30/75/1191513075.db2.gz FERBJXBZUHZLQU-UHFFFAOYSA-N 2 2 310.445 3.227 20 0 DGADLP CC(C)n1c[nH+]cc1CN[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC001575904137 1191515475 /nfs/dbraw/zinc/51/54/75/1191515475.db2.gz JSHUIIGTSPBRFJ-IBGZPJMESA-N 2 2 308.429 3.407 20 0 DGADLP CC1(C)C[C@@]1([NH2+]Cc1nc2c(s1)C[NH2+]CC2)c1ccccc1 ZINC001576404636 1191591698 /nfs/dbraw/zinc/59/16/98/1191591698.db2.gz HRFUTNUIYALBSZ-GOSISDBHSA-N 2 2 313.470 3.204 20 0 DGADLP CC1(C)CC[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccccc2)OC1 ZINC001576410288 1191598718 /nfs/dbraw/zinc/59/87/18/1191598718.db2.gz YVHTTWIQKXJTER-QRVBRYPASA-N 2 2 316.489 3.317 20 0 DGADLP Cc1nnsc1[C@H](C)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001620498080 1193772707 /nfs/dbraw/zinc/77/27/07/1193772707.db2.gz FNECXJBDHJDLTR-HOTGVXAUSA-N 2 2 322.522 3.494 20 0 DGADLP Cc1nnsc1[C@H](C)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001620498080 1193772710 /nfs/dbraw/zinc/77/27/10/1193772710.db2.gz FNECXJBDHJDLTR-HOTGVXAUSA-N 2 2 322.522 3.494 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H]3C)CC2)c1 ZINC001620705476 1193793259 /nfs/dbraw/zinc/79/32/59/1193793259.db2.gz JZVRYEBWXYTCKY-AZUAARDMSA-N 2 2 315.505 3.285 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC001620717284 1193794230 /nfs/dbraw/zinc/79/42/30/1193794230.db2.gz YCDPIJPOLMIDEQ-AWEZNQCLSA-N 2 2 312.442 3.493 20 0 DGADLP COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1C ZINC001621457994 1193845632 /nfs/dbraw/zinc/84/56/32/1193845632.db2.gz TVGVANBIOVWLBF-YJBOKZPZSA-N 2 2 319.493 3.259 20 0 DGADLP COc1c(C)cnc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1C ZINC001621457994 1193845633 /nfs/dbraw/zinc/84/56/33/1193845633.db2.gz TVGVANBIOVWLBF-YJBOKZPZSA-N 2 2 319.493 3.259 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)n1cc[nH+]c1 ZINC000052748754 1194698835 /nfs/dbraw/zinc/69/88/35/1194698835.db2.gz NQOFLYCWMXWXAF-HNNXBMFYSA-N 2 2 312.417 3.069 20 0 DGADLP CCc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(CC)[nH+]1 ZINC001639151095 1194753314 /nfs/dbraw/zinc/75/33/14/1194753314.db2.gz RZHNHACRFNPALO-OAHLLOKOSA-N 2 2 314.433 3.443 20 0 DGADLP C[N@H+](CCNc1nc2ccccc2n2c[nH+]cc12)C1CCCC1 ZINC001642240842 1194895755 /nfs/dbraw/zinc/89/57/55/1194895755.db2.gz ZRUIAYVPHJHUKE-UHFFFAOYSA-N 2 2 309.417 3.169 20 0 DGADLP C[N@@H+](CCNc1nc2ccccc2n2c[nH+]cc12)C1CCCC1 ZINC001642240842 1194895758 /nfs/dbraw/zinc/89/57/58/1194895758.db2.gz ZRUIAYVPHJHUKE-UHFFFAOYSA-N 2 2 309.417 3.169 20 0 DGADLP C[C@H]1[C@@H](C)[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001643487223 1195028856 /nfs/dbraw/zinc/02/88/56/1195028856.db2.gz SXFZGVZLOWEWQX-GUDVDZBRSA-N 2 2 315.505 3.175 20 0 DGADLP C[C@H]1[C@@H](C)[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001643487223 1195028860 /nfs/dbraw/zinc/02/88/60/1195028860.db2.gz SXFZGVZLOWEWQX-GUDVDZBRSA-N 2 2 315.505 3.175 20 0 DGADLP CC[C@@H](C)[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800111 1195056006 /nfs/dbraw/zinc/05/60/06/1195056006.db2.gz ZRTHIDHDAKSGDH-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@@H](C)[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800111 1195056010 /nfs/dbraw/zinc/05/60/10/1195056010.db2.gz ZRTHIDHDAKSGDH-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@@H](C)[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001643800111 1195056014 /nfs/dbraw/zinc/05/60/14/1195056014.db2.gz ZRTHIDHDAKSGDH-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@@H](C)[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001643800111 1195056018 /nfs/dbraw/zinc/05/60/18/1195056018.db2.gz ZRTHIDHDAKSGDH-MJGOQNOKSA-N 2 2 304.478 3.398 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C ZINC001648703054 1195324881 /nfs/dbraw/zinc/32/48/81/1195324881.db2.gz SZDZREWCPKKIII-UHFFFAOYSA-N 2 2 314.477 3.311 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)Cc1ccccc1 ZINC001648775130 1195330225 /nfs/dbraw/zinc/33/02/25/1195330225.db2.gz CGPAWSJNINZTLS-UHOSZYNNSA-N 2 2 304.478 3.097 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)Cc1ccccc1 ZINC001648775129 1195330321 /nfs/dbraw/zinc/33/03/21/1195330321.db2.gz CGPAWSJNINZTLS-QRQLOZEOSA-N 2 2 304.478 3.097 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001648782298 1195331198 /nfs/dbraw/zinc/33/11/98/1195331198.db2.gz ZPTOUVRLLWXVLY-GOSISDBHSA-N 2 2 316.489 3.408 20 0 DGADLP FC(F)Oc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001650647898 1195368842 /nfs/dbraw/zinc/36/88/42/1195368842.db2.gz TTXKLWHAKBMXEO-UHFFFAOYSA-N 2 2 307.344 3.275 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001651117293 1195415445 /nfs/dbraw/zinc/41/54/45/1195415445.db2.gz UCVFCJVJQGNDKN-FDIFFNORSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001651117293 1195415446 /nfs/dbraw/zinc/41/54/46/1195415446.db2.gz UCVFCJVJQGNDKN-FDIFFNORSA-N 2 2 316.489 3.061 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000065932241 1195477761 /nfs/dbraw/zinc/47/77/61/1195477761.db2.gz VLQNNZKJJXOJKU-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000065932241 1195477764 /nfs/dbraw/zinc/47/77/64/1195477764.db2.gz VLQNNZKJJXOJKU-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC001651706298 1195500580 /nfs/dbraw/zinc/50/05/80/1195500580.db2.gz OQPNVUPJJDWQDB-CABCVRRESA-N 2 2 320.477 3.229 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H](Nc3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001652090904 1195546223 /nfs/dbraw/zinc/54/62/23/1195546223.db2.gz OTLLNFWMBIBCBK-SFHVURJKSA-N 2 2 310.445 3.397 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H](Nc3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001652090904 1195546226 /nfs/dbraw/zinc/54/62/26/1195546226.db2.gz OTLLNFWMBIBCBK-SFHVURJKSA-N 2 2 310.445 3.397 20 0 DGADLP Cc1nc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c(C)c(C)[nH+]1 ZINC001652342958 1195585575 /nfs/dbraw/zinc/58/55/75/1195585575.db2.gz WHRXBTJNOTWNDJ-INIZCTEOSA-N 2 2 316.836 3.206 20 0 DGADLP CCOP(=O)(CCC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)OCC ZINC001652806039 1195655040 /nfs/dbraw/zinc/65/50/40/1195655040.db2.gz CDQQIVMYBDXCJC-AWEZNQCLSA-N 2 2 320.414 3.105 20 0 DGADLP CCOP(=O)(CCC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)OCC ZINC001652806039 1195655043 /nfs/dbraw/zinc/65/50/43/1195655043.db2.gz CDQQIVMYBDXCJC-AWEZNQCLSA-N 2 2 320.414 3.105 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)ccc1N(C)C ZINC001653280841 1195706680 /nfs/dbraw/zinc/70/66/80/1195706680.db2.gz OADSNYRCBOAMLK-ZDUSSCGKSA-N 2 2 305.441 3.169 20 0 DGADLP CCC(C)(C)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001654063209 1195771169 /nfs/dbraw/zinc/77/11/69/1195771169.db2.gz ZRAHHAHHPTVXFK-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CCOC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC001654401846 1195799880 /nfs/dbraw/zinc/79/98/80/1195799880.db2.gz VOLVNVTWDUOPJC-SFHVURJKSA-N 2 2 301.434 3.331 20 0 DGADLP CC(C)OCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520585 1195812531 /nfs/dbraw/zinc/81/25/31/1195812531.db2.gz LJULIVAHWLBMJQ-WOJBJXKFSA-N 2 2 316.489 3.255 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc(C)[nH+]1 ZINC001655107563 1195877062 /nfs/dbraw/zinc/87/70/62/1195877062.db2.gz XGFJEQQGTSVCHS-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc(C)[nH+]1 ZINC001655107563 1195877065 /nfs/dbraw/zinc/87/70/65/1195877065.db2.gz XGFJEQQGTSVCHS-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130695 1195879772 /nfs/dbraw/zinc/87/97/72/1195879772.db2.gz LAHHQXJLWHKPKF-SJORKVTESA-N 3 2 318.509 3.302 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130695 1195879783 /nfs/dbraw/zinc/87/97/83/1195879783.db2.gz LAHHQXJLWHKPKF-SJORKVTESA-N 3 2 318.509 3.302 20 0 DGADLP CCC[C@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001655566453 1195933487 /nfs/dbraw/zinc/93/34/87/1195933487.db2.gz ZUNXWTDIJWCQJG-SFHVURJKSA-N 2 2 320.477 3.066 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001655724609 1195956410 /nfs/dbraw/zinc/95/64/10/1195956410.db2.gz CBXYXERMHCQZPL-HZPDHXFCSA-N 2 2 314.477 3.409 20 0 DGADLP C[C@@H]1CCCC[C@H]1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001655947803 1195980883 /nfs/dbraw/zinc/98/08/83/1195980883.db2.gz PRDBLSJNTPQESU-SOLBZPMBSA-N 2 2 316.493 3.460 20 0 DGADLP C[C@@H]1CCCC[C@@H]1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001655947801 1195981285 /nfs/dbraw/zinc/98/12/85/1195981285.db2.gz PRDBLSJNTPQESU-NUJGCVRESA-N 2 2 316.493 3.460 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC001655949117 1195981930 /nfs/dbraw/zinc/98/19/30/1195981930.db2.gz VQKRXHQYHSPNLG-ACBHZAAOSA-N 2 2 310.526 3.395 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC001655949117 1195981933 /nfs/dbraw/zinc/98/19/33/1195981933.db2.gz VQKRXHQYHSPNLG-ACBHZAAOSA-N 2 2 310.526 3.395 20 0 DGADLP CC(C)Cc1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC001656081544 1195995955 /nfs/dbraw/zinc/99/59/55/1195995955.db2.gz CLRDPOVRRBUIFJ-UHFFFAOYSA-N 2 2 307.507 3.306 20 0 DGADLP CC[NH+]1CCN(c2ccc(NCc3cc(C)[nH+]c(C)c3)cc2)CC1 ZINC001656120505 1196006775 /nfs/dbraw/zinc/00/67/75/1196006775.db2.gz YZPPFNMAGXKAHT-UHFFFAOYSA-N 2 2 324.472 3.452 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001656148306 1196010097 /nfs/dbraw/zinc/01/00/97/1196010097.db2.gz CQXSJCVXPIEQHE-HNNXBMFYSA-N 2 2 308.441 3.436 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001656896009 1196081074 /nfs/dbraw/zinc/08/10/74/1196081074.db2.gz ANFNBYOITNRFHT-CQSZACIVSA-N 2 2 324.440 3.055 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CCCOC2)c(C)c1 ZINC001656983118 1196089294 /nfs/dbraw/zinc/08/92/94/1196089294.db2.gz XAQJOLISHRVDRI-IEBWSBKVSA-N 2 2 313.445 3.257 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+]Cc1nc(-c2cccs2)oc1C ZINC001657006773 1196092476 /nfs/dbraw/zinc/09/24/76/1196092476.db2.gz DBXBAQJNZHHYQK-UHFFFAOYSA-N 2 2 302.403 3.006 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081493 1196102734 /nfs/dbraw/zinc/10/27/34/1196102734.db2.gz CLXWNEIQJBPIIJ-OALUTQOASA-N 2 2 315.505 3.113 20 0 DGADLP C[N@H+]1CCCC[C@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081493 1196102737 /nfs/dbraw/zinc/10/27/37/1196102737.db2.gz CLXWNEIQJBPIIJ-OALUTQOASA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@H]1CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081493 1196102738 /nfs/dbraw/zinc/10/27/38/1196102738.db2.gz CLXWNEIQJBPIIJ-OALUTQOASA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@H]1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081493 1196102740 /nfs/dbraw/zinc/10/27/40/1196102740.db2.gz CLXWNEIQJBPIIJ-OALUTQOASA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001657148395 1196111333 /nfs/dbraw/zinc/11/13/33/1196111333.db2.gz FMRLCRGLLATELD-BZUAXINKSA-N 2 2 312.461 3.047 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001657148395 1196111334 /nfs/dbraw/zinc/11/13/34/1196111334.db2.gz FMRLCRGLLATELD-BZUAXINKSA-N 2 2 312.461 3.047 20 0 DGADLP CCCn1cncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001657340248 1196131771 /nfs/dbraw/zinc/13/17/71/1196131771.db2.gz BZERLXGUBGWWRL-UHFFFAOYSA-N 2 2 304.482 3.180 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(F)c1N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657729127 1196172578 /nfs/dbraw/zinc/17/25/78/1196172578.db2.gz SZXWQZAPYSZYHA-CYBMUJFWSA-N 2 2 310.376 3.444 20 0 DGADLP CC[NH+]1CCC(C[NH2+]CC(F)(F)c2cccc(F)c2)CC1 ZINC001658514645 1196268183 /nfs/dbraw/zinc/26/81/83/1196268183.db2.gz BLHSRTNKXLESQL-UHFFFAOYSA-N 2 2 300.368 3.239 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001658786710 1196300941 /nfs/dbraw/zinc/30/09/41/1196300941.db2.gz YFDBAGCPEUIGRU-LSDHHAIUSA-N 2 2 320.477 3.229 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850177 1196310239 /nfs/dbraw/zinc/31/02/39/1196310239.db2.gz JXSWJGHTADHCQZ-SWLSCSKDSA-N 2 2 320.506 3.317 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850177 1196310242 /nfs/dbraw/zinc/31/02/42/1196310242.db2.gz JXSWJGHTADHCQZ-SWLSCSKDSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850177 1196310246 /nfs/dbraw/zinc/31/02/46/1196310246.db2.gz JXSWJGHTADHCQZ-SWLSCSKDSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850177 1196310247 /nfs/dbraw/zinc/31/02/47/1196310247.db2.gz JXSWJGHTADHCQZ-SWLSCSKDSA-N 2 2 320.506 3.317 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001659652965 1196402542 /nfs/dbraw/zinc/40/25/42/1196402542.db2.gz OUFVVBPXKJETPO-RTBURBONSA-N 2 2 315.505 3.223 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000076396903 1196477797 /nfs/dbraw/zinc/47/77/97/1196477797.db2.gz RJWKKWMLXYDZOK-LSDHHAIUSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000076396903 1196477800 /nfs/dbraw/zinc/47/78/00/1196477800.db2.gz RJWKKWMLXYDZOK-LSDHHAIUSA-N 2 2 314.351 3.302 20 0 DGADLP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678388 1196511145 /nfs/dbraw/zinc/51/11/45/1196511145.db2.gz WXOKQRLDNYHLNS-HRCADAONSA-N 2 2 305.466 3.385 20 0 DGADLP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678388 1196511147 /nfs/dbraw/zinc/51/11/47/1196511147.db2.gz WXOKQRLDNYHLNS-HRCADAONSA-N 2 2 305.466 3.385 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001660678483 1196511172 /nfs/dbraw/zinc/51/11/72/1196511172.db2.gz ZEZOLECMMXYRAX-JKSUJKDBSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001660678483 1196511174 /nfs/dbraw/zinc/51/11/74/1196511174.db2.gz ZEZOLECMMXYRAX-JKSUJKDBSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001660880211 1196538301 /nfs/dbraw/zinc/53/83/01/1196538301.db2.gz UWKVOSGDQIDYTK-OALUTQOASA-N 2 2 313.445 3.225 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001660880006 1196538369 /nfs/dbraw/zinc/53/83/69/1196538369.db2.gz OFPLSULAPAEBGO-UHFFFAOYSA-N 2 2 310.376 3.064 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3cnc(C4CC4)o3)c2)c[nH+]1 ZINC001660880240 1196538433 /nfs/dbraw/zinc/53/84/33/1196538433.db2.gz WBHWJWHXGOCFAI-UHFFFAOYSA-N 2 2 308.385 3.087 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1Br ZINC001661391184 1196600858 /nfs/dbraw/zinc/60/08/58/1196600858.db2.gz LOFKWVLDJJJYGQ-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1Br ZINC001661391184 1196600861 /nfs/dbraw/zinc/60/08/61/1196600861.db2.gz LOFKWVLDJJJYGQ-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CC2CCCCC2)c(C)[nH+]1 ZINC001664086117 1196970261 /nfs/dbraw/zinc/97/02/61/1196970261.db2.gz XFDBMDORHISHKQ-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CCCC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001664517297 1197008067 /nfs/dbraw/zinc/00/80/67/1197008067.db2.gz WUABHSDNBCQELX-UHFFFAOYSA-N 2 2 316.449 3.193 20 0 DGADLP CCCC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001664517297 1197008072 /nfs/dbraw/zinc/00/80/72/1197008072.db2.gz WUABHSDNBCQELX-UHFFFAOYSA-N 2 2 316.449 3.193 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001665712524 1197179911 /nfs/dbraw/zinc/17/99/11/1197179911.db2.gz QJIFFHAXGYLCHA-OXQOHEQNSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001665712524 1197179918 /nfs/dbraw/zinc/17/99/18/1197179918.db2.gz QJIFFHAXGYLCHA-OXQOHEQNSA-N 2 2 315.505 3.068 20 0 DGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC001665853342 1197207206 /nfs/dbraw/zinc/20/72/06/1197207206.db2.gz LRLCPDQIHJXRGN-CVEARBPZSA-N 2 2 316.493 3.450 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879915 1197210703 /nfs/dbraw/zinc/21/07/03/1197210703.db2.gz HMGJUHRMMBNKBH-SJORKVTESA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879915 1197210705 /nfs/dbraw/zinc/21/07/05/1197210705.db2.gz HMGJUHRMMBNKBH-SJORKVTESA-N 2 2 308.510 3.436 20 0 DGADLP CC1(C)CC[N@H+](C[C@H]2CCOc3ccccc32)CC(C)(C)[NH2+]1 ZINC001665931672 1197218235 /nfs/dbraw/zinc/21/82/35/1197218235.db2.gz QOQCRCITVSBRLS-OAHLLOKOSA-N 2 2 302.462 3.405 20 0 DGADLP CC1(C)CC[N@@H+](C[C@H]2CCOc3ccccc32)CC(C)(C)[NH2+]1 ZINC001665931672 1197218244 /nfs/dbraw/zinc/21/82/44/1197218244.db2.gz QOQCRCITVSBRLS-OAHLLOKOSA-N 2 2 302.462 3.405 20 0 DGADLP CCCCC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001667467909 1197351706 /nfs/dbraw/zinc/35/17/06/1197351706.db2.gz DUSJFEXZVSCBEH-QGZVFWFLSA-N 2 2 316.449 3.097 20 0 DGADLP CCCCC[NH2+]C/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001668951273 1197434914 /nfs/dbraw/zinc/43/49/14/1197434914.db2.gz SFYAOHZIYDZBDD-CMDGGOBGSA-N 2 2 303.450 3.073 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948434 1197692220 /nfs/dbraw/zinc/69/22/20/1197692220.db2.gz CDFMFUQRNYVPBU-RDTXWAMCSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948434 1197692224 /nfs/dbraw/zinc/69/22/24/1197692224.db2.gz CDFMFUQRNYVPBU-RDTXWAMCSA-N 2 2 315.392 3.042 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000090003714 1198085423 /nfs/dbraw/zinc/08/54/23/1198085423.db2.gz DAARIJCOGVMHPK-KRWDZBQOSA-N 2 2 319.493 3.414 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000090003714 1198085432 /nfs/dbraw/zinc/08/54/32/1198085432.db2.gz DAARIJCOGVMHPK-KRWDZBQOSA-N 2 2 319.493 3.414 20 0 DGADLP CCn1nc(C)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000105418107 1199538984 /nfs/dbraw/zinc/53/89/84/1199538984.db2.gz NUHKQJCVBLOGBX-UHFFFAOYSA-N 2 2 323.444 3.054 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cn1 ZINC000105421360 1199539196 /nfs/dbraw/zinc/53/91/96/1199539196.db2.gz AWEVESNRNVNOPB-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000117385060 1199826607 /nfs/dbraw/zinc/82/66/07/1199826607.db2.gz SRIGZWGLTDIXLM-QGZVFWFLSA-N 2 2 315.486 3.106 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000117385060 1199826610 /nfs/dbraw/zinc/82/66/10/1199826610.db2.gz SRIGZWGLTDIXLM-QGZVFWFLSA-N 2 2 315.486 3.106 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001754150619 1200114863 /nfs/dbraw/zinc/11/48/63/1200114863.db2.gz GOSOKZXNGSLXMH-FPLPWBNLSA-N 2 2 317.477 3.319 20 0 DGADLP CCCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754319088 1200204101 /nfs/dbraw/zinc/20/41/01/1200204101.db2.gz QJXUJMFLPBEIKU-HNNXBMFYSA-N 2 2 305.466 3.247 20 0 DGADLP CCCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754319088 1200204114 /nfs/dbraw/zinc/20/41/14/1200204114.db2.gz QJXUJMFLPBEIKU-HNNXBMFYSA-N 2 2 305.466 3.247 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000125209646 1200368111 /nfs/dbraw/zinc/36/81/11/1200368111.db2.gz TUMLYKWTRYKPGC-UHFFFAOYSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1cccn2c(CNc3ccc(CC[NH+](C)C)cc3)c[nH+]c12 ZINC000125741856 1200460586 /nfs/dbraw/zinc/46/05/86/1200460586.db2.gz VAAYZPBSVRWTEC-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP CCC(CC)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755239859 1200726044 /nfs/dbraw/zinc/72/60/44/1200726044.db2.gz HYPODWYYTIZFCW-STQMWFEESA-N 2 2 316.449 3.096 20 0 DGADLP CC(C)CCC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001690848426 1200748767 /nfs/dbraw/zinc/74/87/67/1200748767.db2.gz BVCLBFNWOBOFGX-AWEZNQCLSA-N 2 2 316.449 3.097 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000135963165 1201207231 /nfs/dbraw/zinc/20/72/31/1201207231.db2.gz LQOLNAYQOPAQTP-UHFFFAOYSA-N 2 2 323.506 3.001 20 0 DGADLP CC[C@H](C)C[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001698607637 1201276696 /nfs/dbraw/zinc/27/66/96/1201276696.db2.gz KXISULGVSHSKIS-LRDDRELGSA-N 2 2 305.466 3.151 20 0 DGADLP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698831956 1201484163 /nfs/dbraw/zinc/48/41/63/1201484163.db2.gz BPOFMJPACNZYLM-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699028817 1201694354 /nfs/dbraw/zinc/69/43/54/1201694354.db2.gz MTYBUJNMKQVKBT-IAGOWNOFSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001700409354 1202265173 /nfs/dbraw/zinc/26/51/73/1202265173.db2.gz OOFTXNLKXMHFOK-HUUCEWRRSA-N 2 2 317.477 3.293 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152311552 1202594245 /nfs/dbraw/zinc/59/42/45/1202594245.db2.gz HZDOUKHCJNEZLD-KGLIPLIRSA-N 2 2 307.507 3.089 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152311552 1202594246 /nfs/dbraw/zinc/59/42/46/1202594246.db2.gz HZDOUKHCJNEZLD-KGLIPLIRSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000156828761 1202601583 /nfs/dbraw/zinc/60/15/83/1202601583.db2.gz SHLJSBOCRUTETB-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000156828761 1202601584 /nfs/dbraw/zinc/60/15/84/1202601584.db2.gz SHLJSBOCRUTETB-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000158644113 1202603905 /nfs/dbraw/zinc/60/39/05/1202603905.db2.gz VGWYEEUJDLZBPI-QZTJIDSGSA-N 3 2 309.542 3.064 20 0 DGADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OCC(C)C ZINC000236954971 1202637597 /nfs/dbraw/zinc/63/75/97/1202637597.db2.gz GLALNTVYFUJWEO-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OCC(C)C ZINC000236954971 1202637598 /nfs/dbraw/zinc/63/75/98/1202637598.db2.gz GLALNTVYFUJWEO-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001713325364 1202639315 /nfs/dbraw/zinc/63/93/15/1202639315.db2.gz QAJDHEZGWALBJH-OAHLLOKOSA-N 2 2 317.477 3.295 20 0 DGADLP CCCOc1c(C[NH2+]C2CC[NH+](CC)CC2)cccc1OCC ZINC000237002810 1202640635 /nfs/dbraw/zinc/64/06/35/1202640635.db2.gz AXAMMJWXZKYOTJ-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP Cc1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)s1 ZINC000237863727 1202733413 /nfs/dbraw/zinc/73/34/13/1202733413.db2.gz QCMVVQQDBSROLL-UHFFFAOYSA-N 2 2 316.405 3.375 20 0 DGADLP CCC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001714848271 1203150223 /nfs/dbraw/zinc/15/02/23/1203150223.db2.gz QLRASJGYMCGVDG-SFHVURJKSA-N 2 2 322.412 3.034 20 0 DGADLP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715668093 1203379002 /nfs/dbraw/zinc/37/90/02/1203379002.db2.gz WKGJVCXZOXUPMA-AWEZNQCLSA-N 2 2 303.450 3.071 20 0 DGADLP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716483521 1203486525 /nfs/dbraw/zinc/48/65/25/1203486525.db2.gz HYXZQNOKOVIZBO-AWEZNQCLSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)CCC[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716483521 1203486527 /nfs/dbraw/zinc/48/65/27/1203486527.db2.gz HYXZQNOKOVIZBO-AWEZNQCLSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001717644546 1203693606 /nfs/dbraw/zinc/69/36/06/1203693606.db2.gz BTBNTLNPHQCPJC-QAQDUYKDSA-N 2 2 317.477 3.151 20 0 DGADLP CC[C@@H](F)C[NH2+]CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001717677550 1203697205 /nfs/dbraw/zinc/69/72/05/1203697205.db2.gz DBGMFGBPKPSOKM-XJKSGUPXSA-N 2 2 323.456 3.243 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001725359762 1204140609 /nfs/dbraw/zinc/14/06/09/1204140609.db2.gz HQFNLRBEYYSSFW-ZLIFDBKOSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001731521745 1204440969 /nfs/dbraw/zinc/44/09/69/1204440969.db2.gz KUYZIKDQMBBCSK-QGZVFWFLSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1ccc2cc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1 ZINC001164774015 721288761 /nfs/dbraw/zinc/28/87/61/721288761.db2.gz VSNYHTJFGOBEKU-UHFFFAOYSA-N 2 2 307.441 3.465 20 0 DGADLP Cc1ccc2cc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1 ZINC001164774015 721288766 /nfs/dbraw/zinc/28/87/66/721288766.db2.gz VSNYHTJFGOBEKU-UHFFFAOYSA-N 2 2 307.441 3.465 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1F)C1CC[NH2+]CC1 ZINC001235762973 1099170993 /nfs/dbraw/zinc/17/09/93/1099170993.db2.gz YDSFPKBPXWKJKF-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001167342446 1081988766 /nfs/dbraw/zinc/98/87/66/1081988766.db2.gz XRJSNBVBRWPTDD-IAGOWNOFSA-N 2 2 317.477 3.429 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136332 1082176744 /nfs/dbraw/zinc/17/67/44/1082176744.db2.gz JUGJUJBEKTUAHS-BZUAXINKSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136332 1082176750 /nfs/dbraw/zinc/17/67/50/1082176750.db2.gz JUGJUJBEKTUAHS-BZUAXINKSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136332 1082176753 /nfs/dbraw/zinc/17/67/53/1082176753.db2.gz JUGJUJBEKTUAHS-BZUAXINKSA-N 2 2 304.482 3.289 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3nonc32)C2CCCC2)CC1 ZINC001203143116 1082177109 /nfs/dbraw/zinc/17/71/09/1082177109.db2.gz QNYMTRDEXQIKLW-UHFFFAOYSA-N 2 2 314.433 3.062 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3nonc32)C2CCCC2)CC1 ZINC001203143116 1082177111 /nfs/dbraw/zinc/17/71/11/1082177111.db2.gz QNYMTRDEXQIKLW-UHFFFAOYSA-N 2 2 314.433 3.062 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C[NH2+]1 ZINC000399072735 1082263178 /nfs/dbraw/zinc/26/31/78/1082263178.db2.gz OJRMIOPAGLZBKO-LPHOPBHVSA-N 2 2 310.441 3.496 20 0 DGADLP CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001266872412 1082292022 /nfs/dbraw/zinc/29/20/22/1082292022.db2.gz KNUCYQSECIONEW-INIZCTEOSA-N 2 2 303.450 3.001 20 0 DGADLP COc1ccc([C@@H]2CSCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207285440 1082521480 /nfs/dbraw/zinc/52/14/80/1082521480.db2.gz KLBIIGFXLPALRM-KRWDZBQOSA-N 2 2 322.518 3.373 20 0 DGADLP COc1ccc([C@@H]2CSCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207285440 1082521481 /nfs/dbraw/zinc/52/14/81/1082521481.db2.gz KLBIIGFXLPALRM-KRWDZBQOSA-N 2 2 322.518 3.373 20 0 DGADLP CCCNc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]cc1C ZINC001167624301 1082617484 /nfs/dbraw/zinc/61/74/84/1082617484.db2.gz SEZIPFVAVXYWJS-UHFFFAOYSA-N 2 2 305.470 3.092 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001131560357 1082687889 /nfs/dbraw/zinc/68/78/89/1082687889.db2.gz KAMHVMCWYSVZTG-ZDUSSCGKSA-N 2 2 305.466 3.008 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC2CCCCCC2)c(C)[nH+]1 ZINC001131560249 1082687961 /nfs/dbraw/zinc/68/79/61/1082687961.db2.gz DUHDMLKSNUFBKL-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP CCC[N@@H+](CC=C(C)C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267314361 1082780973 /nfs/dbraw/zinc/78/09/73/1082780973.db2.gz HJLNPHGXKYADDS-UHFFFAOYSA-N 2 2 317.477 3.415 20 0 DGADLP CCC[N@H+](CC=C(C)C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267314361 1082780979 /nfs/dbraw/zinc/78/09/79/1082780979.db2.gz HJLNPHGXKYADDS-UHFFFAOYSA-N 2 2 317.477 3.415 20 0 DGADLP CCc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000092355090 1082901186 /nfs/dbraw/zinc/90/11/86/1082901186.db2.gz XLFZGGBIQSUGJH-AWEZNQCLSA-N 2 2 309.417 3.019 20 0 DGADLP [NH3+]CCN(c1ccn2cc[nH+]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC001170624962 1082954158 /nfs/dbraw/zinc/95/41/58/1082954158.db2.gz OZDSCPFHFAVDOC-UHFFFAOYSA-N 2 2 310.445 3.068 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000708899890 1083190549 /nfs/dbraw/zinc/19/05/49/1083190549.db2.gz HSGYBTOQTAMWHL-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Br)C[C@H]1C[NH3+] ZINC000708899890 1083190552 /nfs/dbraw/zinc/19/05/52/1083190552.db2.gz HSGYBTOQTAMWHL-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227715 1083258433 /nfs/dbraw/zinc/25/84/33/1083258433.db2.gz JJZVELXDNGPGQS-HUUCEWRRSA-N 2 2 322.497 3.042 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134740457 1083326832 /nfs/dbraw/zinc/32/68/32/1083326832.db2.gz QEAIBDLFHFYQMV-UONOGXRCSA-N 2 2 314.433 3.016 20 0 DGADLP COC1CC(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC001181534165 1083485083 /nfs/dbraw/zinc/48/50/83/1083485083.db2.gz GJJXZPNXTRAMIE-NHSGJMAASA-N 2 2 311.429 3.126 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cscc2Br)CC1 ZINC001205273442 1083960420 /nfs/dbraw/zinc/96/04/20/1083960420.db2.gz LBKGTDZYAPDLPZ-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cscc2Br)CC1 ZINC001205273442 1083960431 /nfs/dbraw/zinc/96/04/31/1083960431.db2.gz LBKGTDZYAPDLPZ-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP CC(C)[PH+](CCNC(=O)CCc1ccc(N)[nH+]c1)C(C)C ZINC001183939542 1084061052 /nfs/dbraw/zinc/06/10/52/1084061052.db2.gz OGIVNGIVSIIJME-UHFFFAOYSA-N 2 2 309.394 3.011 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCCCCF)c(C)[nH+]1 ZINC001268074356 1084101951 /nfs/dbraw/zinc/10/19/51/1084101951.db2.gz ILUMMOKMVKWZNJ-HNNXBMFYSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184373924 1084167132 /nfs/dbraw/zinc/16/71/32/1084167132.db2.gz GBILBAZOSBQNON-UHFFFAOYSA-N 2 2 315.465 3.194 20 0 DGADLP Cc1cnn(C)c1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184374687 1084167504 /nfs/dbraw/zinc/16/75/04/1084167504.db2.gz PPGAQENLEPAJGA-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cnn(C)c1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184374687 1084167507 /nfs/dbraw/zinc/16/75/07/1084167507.db2.gz PPGAQENLEPAJGA-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)C2)c(C)[nH+]1 ZINC001184452815 1084186977 /nfs/dbraw/zinc/18/69/77/1084186977.db2.gz AHMLAXIMYSDSPF-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1ccc2c(Nc3cnn(CCC[NH+](C)C)c3)cccc2[nH+]1 ZINC001187162969 1084760838 /nfs/dbraw/zinc/76/08/38/1084760838.db2.gz PZEYWNUCNGPTOW-UHFFFAOYSA-N 2 2 309.417 3.435 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204939409 1084862980 /nfs/dbraw/zinc/86/29/80/1084862980.db2.gz RDJVIQREPDRHSV-CQSZACIVSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204939409 1084862984 /nfs/dbraw/zinc/86/29/84/1084862984.db2.gz RDJVIQREPDRHSV-CQSZACIVSA-N 2 2 302.340 3.207 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167971249 1085904894 /nfs/dbraw/zinc/90/48/94/1085904894.db2.gz VFRYFRWQICEPNA-IHWFROFDSA-N 3 2 319.537 3.102 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167971249 1085904901 /nfs/dbraw/zinc/90/49/01/1085904901.db2.gz VFRYFRWQICEPNA-IHWFROFDSA-N 3 2 319.537 3.102 20 0 DGADLP Brc1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000713192891 1085988724 /nfs/dbraw/zinc/98/87/24/1085988724.db2.gz FVEDJUWLNLBXFI-FUNVUKJBSA-N 2 2 307.235 3.048 20 0 DGADLP Brc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000713192891 1085988731 /nfs/dbraw/zinc/98/87/31/1085988731.db2.gz FVEDJUWLNLBXFI-FUNVUKJBSA-N 2 2 307.235 3.048 20 0 DGADLP C[C@@H]1CC([N@H+](C)Cc2ccncn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168066635 1086685846 /nfs/dbraw/zinc/68/58/46/1086685846.db2.gz QRQBBTSVHWKOFJ-IAGOWNOFSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1CC([N@@H+](C)Cc2ccncn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168066635 1086685854 /nfs/dbraw/zinc/68/58/54/1086685854.db2.gz QRQBBTSVHWKOFJ-IAGOWNOFSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@H]1CC([N@@H+]2C[C@H]3CC[C@@H]2CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067922 1086714013 /nfs/dbraw/zinc/71/40/13/1086714013.db2.gz VDDYHKKBJKBLFY-JSFADZTLSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@H]1CC([N@H+]2C[C@H]3CC[C@@H]2CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067922 1086714016 /nfs/dbraw/zinc/71/40/16/1086714016.db2.gz VDDYHKKBJKBLFY-JSFADZTLSA-N 2 2 314.473 3.291 20 0 DGADLP COCC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168178195 1087022626 /nfs/dbraw/zinc/02/26/26/1087022626.db2.gz ALQPWODDARKEOU-OAHLLOKOSA-N 2 2 324.896 3.314 20 0 DGADLP COCC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168178195 1087022629 /nfs/dbraw/zinc/02/26/29/1087022629.db2.gz ALQPWODDARKEOU-OAHLLOKOSA-N 2 2 324.896 3.314 20 0 DGADLP Clc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(Cl)n1 ZINC001168356103 1087318773 /nfs/dbraw/zinc/31/87/73/1087318773.db2.gz KTZKVIJDTZKFDF-UHFFFAOYSA-N 2 2 314.260 3.352 20 0 DGADLP COc1cccc(OC)c1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363105 1087374574 /nfs/dbraw/zinc/37/45/74/1087374574.db2.gz SPODBKHHUAZVRW-AWEZNQCLSA-N 2 2 318.461 3.229 20 0 DGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC001168365433 1087384789 /nfs/dbraw/zinc/38/47/89/1087384789.db2.gz ROXKBULNHKPICL-INIZCTEOSA-N 2 2 306.837 3.238 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(C)c(F)c(F)c2)CC1 ZINC001143610925 1087395116 /nfs/dbraw/zinc/39/51/16/1087395116.db2.gz KTPZNXBCZVIRLC-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP Fc1cc(F)c2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168368527 1087429128 /nfs/dbraw/zinc/42/91/28/1087429128.db2.gz KMBIUNANRJJMKA-QGZVFWFLSA-N 2 2 322.399 3.252 20 0 DGADLP Fc1ncccc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168369129 1087432861 /nfs/dbraw/zinc/43/28/61/1087432861.db2.gz XSJUBHLCVMXIPE-QGZVFWFLSA-N 2 2 303.425 3.136 20 0 DGADLP CCC(CC)C[NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483474676 1087511384 /nfs/dbraw/zinc/51/13/84/1087511384.db2.gz SZEONJZLFRONNI-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168421805 1087609294 /nfs/dbraw/zinc/60/92/94/1087609294.db2.gz TWCOVFIVDFNQLE-VQTJNVASSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168421805 1087609296 /nfs/dbraw/zinc/60/92/96/1087609296.db2.gz TWCOVFIVDFNQLE-VQTJNVASSA-N 2 2 310.416 3.069 20 0 DGADLP CC(C)N(c1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@@H](C)c1ccccc1 ZINC001158473194 1087854333 /nfs/dbraw/zinc/85/43/33/1087854333.db2.gz CYSVURJHTWEFPJ-KRWDZBQOSA-N 2 2 324.472 3.467 20 0 DGADLP COc1cc(C)c[nH+]c1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159020463 1088143402 /nfs/dbraw/zinc/14/34/02/1088143402.db2.gz VIJZQHXTXUPSKA-UHFFFAOYSA-N 2 2 323.440 3.040 20 0 DGADLP c1cc2c(c(Nc3ccc(N4CCCCC4)[nH+]c3)c1)CC[NH2+]C2 ZINC001159167911 1088218780 /nfs/dbraw/zinc/21/87/80/1088218780.db2.gz YXOFRODQPPEQGW-UHFFFAOYSA-N 2 2 308.429 3.461 20 0 DGADLP c1[nH]c2c(cccc2Nc2ccc(OCC3CC[NH2+]CC3)nc2)[nH+]1 ZINC001159344582 1088308942 /nfs/dbraw/zinc/30/89/42/1088308942.db2.gz UYPQKRUSTYVEEN-UHFFFAOYSA-N 2 2 323.400 3.080 20 0 DGADLP Cc1ccc2c(Nc3cccnc3O[C@@H]3CC[NH2+]C3)cccc2[nH+]1 ZINC001159349607 1088311130 /nfs/dbraw/zinc/31/11/30/1088311130.db2.gz ADQXUKSKGQGJFE-CQSZACIVSA-N 2 2 320.396 3.423 20 0 DGADLP c1cn(-c2ccccc2Nc2cccc(N3CC[NH2+]CC3)c2)c[nH+]1 ZINC001159446730 1088349424 /nfs/dbraw/zinc/34/94/24/1088349424.db2.gz FNLLHKSAOKIGAI-UHFFFAOYSA-N 2 2 319.412 3.026 20 0 DGADLP COc1cc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001159949772 1088567276 /nfs/dbraw/zinc/56/72/76/1088567276.db2.gz RDVGJWHSLYATSG-QGZVFWFLSA-N 2 2 313.401 3.273 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1cccc2[nH+]ccn21 ZINC001154526094 1088642977 /nfs/dbraw/zinc/64/29/77/1088642977.db2.gz JBIMRGCRUNSAFM-HNNXBMFYSA-N 2 2 320.396 3.083 20 0 DGADLP Cc1c[nH+]cc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1C ZINC001160130550 1088658844 /nfs/dbraw/zinc/65/88/44/1088658844.db2.gz ZFZJEPMYEBLSBL-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP CNc1ccc(Nc2ccc(OC3CC[NH2+]CC3)c(C)c2)c[nH+]1 ZINC001160226361 1088707377 /nfs/dbraw/zinc/70/73/77/1088707377.db2.gz WYNGOKKVLZEGBB-UHFFFAOYSA-N 2 2 312.417 3.306 20 0 DGADLP Brc1ccccc1CCC[NH+]1CCC[NH2+]CCC1 ZINC001236240315 1088738701 /nfs/dbraw/zinc/73/87/01/1088738701.db2.gz OKHGPTJSPXSTLC-UHFFFAOYSA-N 2 2 311.267 3.067 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001160372179 1088766724 /nfs/dbraw/zinc/76/67/24/1088766724.db2.gz LKHBPUPLDUFBMD-UHFFFAOYSA-N 2 2 324.472 3.292 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001160372179 1088766735 /nfs/dbraw/zinc/76/67/35/1088766735.db2.gz LKHBPUPLDUFBMD-UHFFFAOYSA-N 2 2 324.472 3.292 20 0 DGADLP Cc1cccc2cc[nH+]c(N[C@H]3CCC[C@@H]3[NH+]3CCOCC3)c12 ZINC001160730417 1088933898 /nfs/dbraw/zinc/93/38/98/1088933898.db2.gz DTMMAOVXIVLCLF-IRXDYDNUSA-N 2 2 311.429 3.208 20 0 DGADLP CCSc1cc[nH+]c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001155391150 1089088408 /nfs/dbraw/zinc/08/84/08/1089088408.db2.gz WMISEPQNTVAVOM-AWEZNQCLSA-N 2 2 321.490 3.154 20 0 DGADLP CSc1c[nH+]c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c(C)c1 ZINC001155459213 1089120394 /nfs/dbraw/zinc/12/03/94/1089120394.db2.gz QHOHWWWNXBJDTG-CQSZACIVSA-N 2 2 316.474 3.135 20 0 DGADLP Cc1cccc2c(C)cc(NCc3noc4c3C[NH2+]CC4)[nH+]c12 ZINC001155496050 1089136838 /nfs/dbraw/zinc/13/68/38/1089136838.db2.gz YLMLAPISJYOMLZ-UHFFFAOYSA-N 2 2 308.385 3.097 20 0 DGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522560 1089144139 /nfs/dbraw/zinc/14/41/39/1089144139.db2.gz XVJWXYGGEXFXDO-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522560 1089144145 /nfs/dbraw/zinc/14/41/45/1089144145.db2.gz XVJWXYGGEXFXDO-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP Cc1c[nH+]c(NC2CC[NH+](CC(C)(C)C)CC2)nc1NC1CC1 ZINC001161206642 1089153421 /nfs/dbraw/zinc/15/34/21/1089153421.db2.gz RPBGGVQBDDCHNK-UHFFFAOYSA-N 2 2 317.481 3.282 20 0 DGADLP c1ccc(-c2cc[nH+]c(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001155620367 1089188774 /nfs/dbraw/zinc/18/87/74/1089188774.db2.gz VANMFUOYFARCQB-HKUYNNGSSA-N 2 2 309.413 3.072 20 0 DGADLP c1[nH+]cn(CC2CCC2)c1CNc1cc(N2CCCC2)cc[nH+]1 ZINC001161532910 1089275479 /nfs/dbraw/zinc/27/54/79/1089275479.db2.gz CEHRWAJOQKSBQN-UHFFFAOYSA-N 2 2 311.433 3.291 20 0 DGADLP c1cn(CCCNc2cccc3c2C2(C=C3)CC[NH2+]CC2)c[nH+]1 ZINC001161684841 1089343922 /nfs/dbraw/zinc/34/39/22/1089343922.db2.gz SLQKGHZQEALDBE-UHFFFAOYSA-N 2 2 308.429 3.033 20 0 DGADLP CC(=O)Nc1c(C)cc[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156047462 1089365483 /nfs/dbraw/zinc/36/54/83/1089365483.db2.gz AQTYWHJQJPHVAW-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1cc(N2CC[NH2+]C[C@H]2c2cccs2)nc(C(C)(C)C)[nH+]1 ZINC001156109265 1089389314 /nfs/dbraw/zinc/38/93/14/1089389314.db2.gz AFKSYBJIGRGCKB-ZDUSSCGKSA-N 2 2 316.474 3.295 20 0 DGADLP CCCc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc(CCC)[nH+]1 ZINC001162462677 1089744776 /nfs/dbraw/zinc/74/47/76/1089744776.db2.gz XELPHRPUANDVBE-HUUCEWRRSA-N 2 2 304.482 3.429 20 0 DGADLP C[C@H]1CCCC[C@@H]1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529837 1089774704 /nfs/dbraw/zinc/77/47/04/1089774704.db2.gz DXQVXDOCSZSKAW-CGTJXYLNSA-N 2 2 301.478 3.458 20 0 DGADLP C[C@H]1CCCC[C@@H]1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529837 1089774715 /nfs/dbraw/zinc/77/47/15/1089774715.db2.gz DXQVXDOCSZSKAW-CGTJXYLNSA-N 2 2 301.478 3.458 20 0 DGADLP CCCc1cc(NC[C@@]2(F)CCCC[NH2+]C2)nc(CCC)[nH+]1 ZINC001162579989 1089806469 /nfs/dbraw/zinc/80/64/69/1089806469.db2.gz LLMQKDKKJUZXHD-QGZVFWFLSA-N 2 2 308.445 3.275 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)nc(C)[nH+]1 ZINC001163019016 1090055298 /nfs/dbraw/zinc/05/52/98/1090055298.db2.gz HPROIZQRXJIUOL-IBGZPJMESA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)nc(C)[nH+]1 ZINC001163019016 1090055309 /nfs/dbraw/zinc/05/53/09/1090055309.db2.gz HPROIZQRXJIUOL-IBGZPJMESA-N 2 2 324.472 3.448 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(NCc3noc4c3C[NH2+]CC4)c2)cc1 ZINC001163126096 1090085142 /nfs/dbraw/zinc/08/51/42/1090085142.db2.gz LTOXCRPFOREXNJ-UHFFFAOYSA-N 2 2 320.396 3.303 20 0 DGADLP Cc1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc(OC(F)F)[nH+]1 ZINC001163228857 1090126769 /nfs/dbraw/zinc/12/67/69/1090126769.db2.gz DNNPETPMFXKHON-NSHDSACASA-N 2 2 311.357 3.309 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc1NCC1CC1 ZINC001163356351 1090160475 /nfs/dbraw/zinc/16/04/75/1090160475.db2.gz BTLJXNXINPUBDL-HOCLYGCPSA-N 2 2 317.481 3.138 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1NCC1CC1 ZINC001163356351 1090160479 /nfs/dbraw/zinc/16/04/79/1090160479.db2.gz BTLJXNXINPUBDL-HOCLYGCPSA-N 2 2 317.481 3.138 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc1NCC1CC1 ZINC001163356349 1090160627 /nfs/dbraw/zinc/16/06/27/1090160627.db2.gz BTLJXNXINPUBDL-GOEBONIOSA-N 2 2 317.481 3.138 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1NCC1CC1 ZINC001163356349 1090160629 /nfs/dbraw/zinc/16/06/29/1090160629.db2.gz BTLJXNXINPUBDL-GOEBONIOSA-N 2 2 317.481 3.138 20 0 DGADLP CC(C)N(c1[nH+]c(N2CCCC2)cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC001158032070 1090175956 /nfs/dbraw/zinc/17/59/56/1090175956.db2.gz ACFIQDGTNNXNBJ-KRWDZBQOSA-N 2 2 324.472 3.412 20 0 DGADLP Cc1nc(N2C[C@H](C)CC[C@@H]2C[NH3+])cc(C2CCCCC2)[nH+]1 ZINC001164072719 1090333690 /nfs/dbraw/zinc/33/36/90/1090333690.db2.gz BTTUOJMQZODTBE-CZUORRHYSA-N 2 2 302.466 3.396 20 0 DGADLP [NH3+][C@@H]1CCN(c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)C1 ZINC001164286791 1090394109 /nfs/dbraw/zinc/39/41/09/1090394109.db2.gz YFSCPRSMGLAMGC-CQSZACIVSA-N 2 2 312.804 3.192 20 0 DGADLP Cc1nc(N2C[C@@H](C[NH3+])CC[C@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164467916 1090427817 /nfs/dbraw/zinc/42/78/17/1090427817.db2.gz OFLJMFHZSVTSBH-UKRRQHHQSA-N 2 2 302.466 3.396 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164491443 1090432811 /nfs/dbraw/zinc/43/28/11/1090432811.db2.gz DMZBMZUYYVLSKZ-FGTMMUONSA-N 2 2 323.440 3.413 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001164491443 1090432812 /nfs/dbraw/zinc/43/28/12/1090432812.db2.gz DMZBMZUYYVLSKZ-FGTMMUONSA-N 2 2 323.440 3.413 20 0 DGADLP CC[NH+]1CCC(N(C)c2cc(C)c3cc(OC)ccc3[nH+]2)CC1 ZINC001165067272 1090458390 /nfs/dbraw/zinc/45/83/90/1090458390.db2.gz FHGCTABWMIBIQL-UHFFFAOYSA-N 2 2 313.445 3.472 20 0 DGADLP CCc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC001165091398 1090463849 /nfs/dbraw/zinc/46/38/49/1090463849.db2.gz ZZRUMBOWKGWJMK-MJGOQNOKSA-N 2 2 322.456 3.058 20 0 DGADLP CCc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC001165091398 1090463851 /nfs/dbraw/zinc/46/38/51/1090463851.db2.gz ZZRUMBOWKGWJMK-MJGOQNOKSA-N 2 2 322.456 3.058 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cccc(N(C)C)[nH+]1 ZINC001165202337 1090479975 /nfs/dbraw/zinc/47/99/75/1090479975.db2.gz UIOXNWVQCBVICS-IRXDYDNUSA-N 2 2 324.472 3.247 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cccc(N(C)C)[nH+]1 ZINC001165202337 1090479978 /nfs/dbraw/zinc/47/99/78/1090479978.db2.gz UIOXNWVQCBVICS-IRXDYDNUSA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1CN(c2cccc(N(C)C)[nH+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165202338 1090480367 /nfs/dbraw/zinc/48/03/67/1090480367.db2.gz UIOXNWVQCBVICS-SJORKVTESA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1CN(c2cccc(N(C)C)[nH+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202338 1090480369 /nfs/dbraw/zinc/48/03/69/1090480369.db2.gz UIOXNWVQCBVICS-SJORKVTESA-N 2 2 324.472 3.247 20 0 DGADLP Cc1cccc2c(C)cc(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)[nH+]c12 ZINC001165427223 1090521034 /nfs/dbraw/zinc/52/10/34/1090521034.db2.gz MODWJSHAFCAFSX-GDBMZVCRSA-N 2 2 313.420 3.365 20 0 DGADLP CCc1[nH]c(C[NH+]2CCC3(COc4ccccc43)CC2)c(C)[nH+]1 ZINC001203247378 1090707895 /nfs/dbraw/zinc/70/78/95/1090707895.db2.gz CVXKBZBDBSXREN-UHFFFAOYSA-N 2 2 311.429 3.207 20 0 DGADLP COc1ccc(OC)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001203533441 1090750057 /nfs/dbraw/zinc/75/00/57/1090750057.db2.gz AYXMXQAQWXGPRM-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(OC)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001203533441 1090750067 /nfs/dbraw/zinc/75/00/67/1090750067.db2.gz AYXMXQAQWXGPRM-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C)c(C)[nH+]1 ZINC001486405677 1090828411 /nfs/dbraw/zinc/82/84/11/1090828411.db2.gz OOFDPICCAVXFBL-HNNXBMFYSA-N 2 2 323.456 3.101 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001203991584 1090860764 /nfs/dbraw/zinc/86/07/64/1090860764.db2.gz PXQQSRVYHDZSGQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001203991584 1090860770 /nfs/dbraw/zinc/86/07/70/1090860770.db2.gz PXQQSRVYHDZSGQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001203991584 1090860777 /nfs/dbraw/zinc/86/07/77/1090860777.db2.gz PXQQSRVYHDZSGQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001203991584 1090860782 /nfs/dbraw/zinc/86/07/82/1090860782.db2.gz PXQQSRVYHDZSGQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203991586 1090861926 /nfs/dbraw/zinc/86/19/26/1090861926.db2.gz PXQQSRVYHDZSGQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203991586 1090861933 /nfs/dbraw/zinc/86/19/33/1090861933.db2.gz PXQQSRVYHDZSGQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001203991586 1090861941 /nfs/dbraw/zinc/86/19/41/1090861941.db2.gz PXQQSRVYHDZSGQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001203991586 1090861951 /nfs/dbraw/zinc/86/19/51/1090861951.db2.gz PXQQSRVYHDZSGQ-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@@H]2C1 ZINC001204089087 1090898762 /nfs/dbraw/zinc/89/87/62/1090898762.db2.gz KJDDFYRFKTXBLQ-JMJZKYOTSA-N 2 2 305.274 3.485 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@@H]2C1 ZINC001204089087 1090898766 /nfs/dbraw/zinc/89/87/66/1090898766.db2.gz KJDDFYRFKTXBLQ-JMJZKYOTSA-N 2 2 305.274 3.485 20 0 DGADLP COCC[N@H+](Cc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204166427 1090911329 /nfs/dbraw/zinc/91/13/29/1090911329.db2.gz UZWGXRPQWSUQQK-UHFFFAOYSA-N 2 2 304.478 3.353 20 0 DGADLP COCC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204166427 1090911330 /nfs/dbraw/zinc/91/13/30/1090911330.db2.gz UZWGXRPQWSUQQK-UHFFFAOYSA-N 2 2 304.478 3.353 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001204391614 1090961127 /nfs/dbraw/zinc/96/11/27/1090961127.db2.gz RORJRXUUFKJVHR-GJZGRUSLSA-N 2 2 316.470 3.467 20 0 DGADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204430640 1090967701 /nfs/dbraw/zinc/96/77/01/1090967701.db2.gz GNPPYDLGVHWGJX-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204430640 1090967703 /nfs/dbraw/zinc/96/77/03/1090967703.db2.gz GNPPYDLGVHWGJX-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC001204531865 1090993128 /nfs/dbraw/zinc/99/31/28/1090993128.db2.gz ARAFBVTUBYCXCZ-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC001204531865 1090993130 /nfs/dbraw/zinc/99/31/30/1090993130.db2.gz ARAFBVTUBYCXCZ-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC001204531865 1090993132 /nfs/dbraw/zinc/99/31/32/1090993132.db2.gz ARAFBVTUBYCXCZ-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC001204531865 1090993134 /nfs/dbraw/zinc/99/31/34/1090993134.db2.gz ARAFBVTUBYCXCZ-KDURUIRLSA-N 2 2 310.441 3.460 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)s2)cc1 ZINC001204661050 1091013650 /nfs/dbraw/zinc/01/36/50/1091013650.db2.gz UYJXALWVOFVTMO-UHFFFAOYSA-N 2 2 302.443 3.219 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)s2)cc1 ZINC001204661050 1091013656 /nfs/dbraw/zinc/01/36/56/1091013656.db2.gz UYJXALWVOFVTMO-UHFFFAOYSA-N 2 2 302.443 3.219 20 0 DGADLP CCc1ccc(C)[nH+]c1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001204717117 1091022140 /nfs/dbraw/zinc/02/21/40/1091022140.db2.gz IQPXEAUFSYJDJE-UHFFFAOYSA-N 2 2 324.472 3.443 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001205017282 1091085371 /nfs/dbraw/zinc/08/53/71/1091085371.db2.gz MTEUFRJHEWTSNA-MRXNPFEDSA-N 2 2 317.477 3.225 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001205017282 1091085376 /nfs/dbraw/zinc/08/53/76/1091085376.db2.gz MTEUFRJHEWTSNA-MRXNPFEDSA-N 2 2 317.477 3.225 20 0 DGADLP Cc1cccc(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1C ZINC001205067529 1091093486 /nfs/dbraw/zinc/09/34/86/1091093486.db2.gz RSEZWJMLXFMWQW-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP Cc1cccc(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1C ZINC001205067529 1091093490 /nfs/dbraw/zinc/09/34/90/1091093490.db2.gz RSEZWJMLXFMWQW-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001205082229 1091097148 /nfs/dbraw/zinc/09/71/48/1091097148.db2.gz CTJVMIAYLYOVDE-WFASDCNBSA-N 2 2 317.383 3.338 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001205082229 1091097152 /nfs/dbraw/zinc/09/71/52/1091097152.db2.gz CTJVMIAYLYOVDE-WFASDCNBSA-N 2 2 317.383 3.338 20 0 DGADLP CCc1cc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nc(CC)[nH+]1 ZINC001307148188 1091159032 /nfs/dbraw/zinc/15/90/32/1091159032.db2.gz MHCSXOYWBAVIBN-AEFFLSMTSA-N 2 2 324.472 3.359 20 0 DGADLP CCc1cc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nc(CC)[nH+]1 ZINC001307148188 1091159038 /nfs/dbraw/zinc/15/90/38/1091159038.db2.gz MHCSXOYWBAVIBN-AEFFLSMTSA-N 2 2 324.472 3.359 20 0 DGADLP CC(C)Oc1c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccc(F)c1F ZINC001205296341 1091169185 /nfs/dbraw/zinc/16/91/85/1091169185.db2.gz MTIAHGOTUFLFOY-QGZVFWFLSA-N 2 2 312.404 3.455 20 0 DGADLP CC(C)Oc1c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc(F)c1F ZINC001205296341 1091169194 /nfs/dbraw/zinc/16/91/94/1091169194.db2.gz MTIAHGOTUFLFOY-QGZVFWFLSA-N 2 2 312.404 3.455 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(OC)c1Cl ZINC001205296057 1091169527 /nfs/dbraw/zinc/16/95/27/1091169527.db2.gz FVVTWSFWHJSCQZ-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OC)c1Cl ZINC001205296057 1091169531 /nfs/dbraw/zinc/16/95/31/1091169531.db2.gz FVVTWSFWHJSCQZ-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303193 1091172770 /nfs/dbraw/zinc/17/27/70/1091172770.db2.gz AUJUKYFXCRBJQV-MNOVXSKESA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303193 1091172774 /nfs/dbraw/zinc/17/27/74/1091172774.db2.gz AUJUKYFXCRBJQV-MNOVXSKESA-N 2 2 304.331 3.261 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001138607233 1091250170 /nfs/dbraw/zinc/25/01/70/1091250170.db2.gz IQAGEBDRHRPJSU-UYAOXDASSA-N 2 2 313.489 3.060 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001138607233 1091250178 /nfs/dbraw/zinc/25/01/78/1091250178.db2.gz IQAGEBDRHRPJSU-UYAOXDASSA-N 2 2 313.489 3.060 20 0 DGADLP c1cn(C2CC[NH+](Cc3ccccc3N3CCCC3)CC2)c[nH+]1 ZINC001138613919 1091253903 /nfs/dbraw/zinc/25/39/03/1091253903.db2.gz NNHWVFHWUYKNGG-UHFFFAOYSA-N 2 2 310.445 3.320 20 0 DGADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cc(F)cc(F)c1 ZINC001205655906 1091300215 /nfs/dbraw/zinc/30/02/15/1091300215.db2.gz GBKXXSFCLWBVLR-UHFFFAOYSA-N 2 2 314.339 3.178 20 0 DGADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cc(F)cc(F)c1 ZINC001205655906 1091300227 /nfs/dbraw/zinc/30/02/27/1091300227.db2.gz GBKXXSFCLWBVLR-UHFFFAOYSA-N 2 2 314.339 3.178 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3ccnn32)C2CCCC2)CC1 ZINC001138809830 1091338563 /nfs/dbraw/zinc/33/85/63/1091338563.db2.gz DLMINSMRQOXWMG-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3ccnn32)C2CCCC2)CC1 ZINC001138809830 1091338576 /nfs/dbraw/zinc/33/85/76/1091338576.db2.gz DLMINSMRQOXWMG-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1CC ZINC001205767811 1091339298 /nfs/dbraw/zinc/33/92/98/1091339298.db2.gz AYVMLNIDHXMRHL-OAHLLOKOSA-N 2 2 312.404 3.064 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1CC ZINC001205767811 1091339306 /nfs/dbraw/zinc/33/93/06/1091339306.db2.gz AYVMLNIDHXMRHL-OAHLLOKOSA-N 2 2 312.404 3.064 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3cccc(Cl)c23)CCC1(F)F ZINC001205769754 1091340414 /nfs/dbraw/zinc/34/04/14/1091340414.db2.gz KIEZSHRZHWPJKF-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3cccc(Cl)c23)CCC1(F)F ZINC001205769754 1091340426 /nfs/dbraw/zinc/34/04/26/1091340426.db2.gz KIEZSHRZHWPJKF-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3nccs3)c2)CCC1(F)F ZINC001205770825 1091341432 /nfs/dbraw/zinc/34/14/32/1091341432.db2.gz PLUKDEZJXQWHOE-AWEZNQCLSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3nccs3)c2)CCC1(F)F ZINC001205770825 1091341437 /nfs/dbraw/zinc/34/14/37/1091341437.db2.gz PLUKDEZJXQWHOE-AWEZNQCLSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-c3nccs3)c2)CCC1(F)F ZINC001205770826 1091341943 /nfs/dbraw/zinc/34/19/43/1091341943.db2.gz PLUKDEZJXQWHOE-CQSZACIVSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3nccs3)c2)CCC1(F)F ZINC001205770826 1091341952 /nfs/dbraw/zinc/34/19/52/1091341952.db2.gz PLUKDEZJXQWHOE-CQSZACIVSA-N 2 2 323.412 3.226 20 0 DGADLP Cc1cccnc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001205780669 1091345363 /nfs/dbraw/zinc/34/53/63/1091345363.db2.gz SOEKSTPWPJESCU-HOTGVXAUSA-N 2 2 313.470 3.015 20 0 DGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1C(F)F ZINC001205788810 1091347912 /nfs/dbraw/zinc/34/79/12/1091347912.db2.gz RUNWVZGALMHQKM-NSHDSACASA-N 2 2 320.330 3.049 20 0 DGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1C(F)F ZINC001205788810 1091347923 /nfs/dbraw/zinc/34/79/23/1091347923.db2.gz RUNWVZGALMHQKM-NSHDSACASA-N 2 2 320.330 3.049 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)n2)CCC1(F)F ZINC001205794727 1091352823 /nfs/dbraw/zinc/35/28/23/1091352823.db2.gz ACDSTTNYYKRDMM-HNNXBMFYSA-N 2 2 317.383 3.165 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)n2)CCC1(F)F ZINC001205794727 1091352835 /nfs/dbraw/zinc/35/28/35/1091352835.db2.gz ACDSTTNYYKRDMM-HNNXBMFYSA-N 2 2 317.383 3.165 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828208 1091370208 /nfs/dbraw/zinc/37/02/08/1091370208.db2.gz KCIGVERCPCJHHB-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205828208 1091370218 /nfs/dbraw/zinc/37/02/18/1091370218.db2.gz KCIGVERCPCJHHB-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830233 1091370272 /nfs/dbraw/zinc/37/02/72/1091370272.db2.gz SGOFNLVTKOWKTP-RHSMWYFYSA-N 2 2 302.462 3.349 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830233 1091370283 /nfs/dbraw/zinc/37/02/83/1091370283.db2.gz SGOFNLVTKOWKTP-RHSMWYFYSA-N 2 2 302.462 3.349 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205828182 1091370750 /nfs/dbraw/zinc/37/07/50/1091370750.db2.gz JYJRDNRGAAADAY-BXUZGUMPSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205828182 1091370752 /nfs/dbraw/zinc/37/07/52/1091370752.db2.gz JYJRDNRGAAADAY-BXUZGUMPSA-N 2 2 316.367 3.453 20 0 DGADLP CC(C)[N@H+](Cc1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC001138907181 1091374619 /nfs/dbraw/zinc/37/46/19/1091374619.db2.gz ZEUQUMFVWHBOMO-UHFFFAOYSA-N 2 2 315.255 3.347 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC001138907181 1091374632 /nfs/dbraw/zinc/37/46/32/1091374632.db2.gz ZEUQUMFVWHBOMO-UHFFFAOYSA-N 2 2 315.255 3.347 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c2c(OC)cccc12 ZINC001205868945 1091385952 /nfs/dbraw/zinc/38/59/52/1091385952.db2.gz YHWLZYBFFSAMMI-CJNGLKHVSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c2c(OC)cccc12 ZINC001205868945 1091385957 /nfs/dbraw/zinc/38/59/57/1091385957.db2.gz YHWLZYBFFSAMMI-CJNGLKHVSA-N 2 2 314.429 3.026 20 0 DGADLP CCCCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001138956998 1091392682 /nfs/dbraw/zinc/39/26/82/1091392682.db2.gz VGLGGOMGECRFIZ-IEBWSBKVSA-N 2 2 302.462 3.249 20 0 DGADLP CCCCOc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001138956998 1091392692 /nfs/dbraw/zinc/39/26/92/1091392692.db2.gz VGLGGOMGECRFIZ-IEBWSBKVSA-N 2 2 302.462 3.249 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916134 1091411501 /nfs/dbraw/zinc/41/15/01/1091411501.db2.gz RZMSLSQFDPYQEW-KOLCDFICSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916134 1091411504 /nfs/dbraw/zinc/41/15/04/1091411504.db2.gz RZMSLSQFDPYQEW-KOLCDFICSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931958 1091420513 /nfs/dbraw/zinc/42/05/13/1091420513.db2.gz MUEAKZSXSYRFLJ-OAHLLOKOSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931958 1091420518 /nfs/dbraw/zinc/42/05/18/1091420518.db2.gz MUEAKZSXSYRFLJ-OAHLLOKOSA-N 2 2 301.459 3.432 20 0 DGADLP COc1cc(O)ccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001139140735 1091461698 /nfs/dbraw/zinc/46/16/98/1091461698.db2.gz QCPQCFJDLJCAAE-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP COc1cc(O)ccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001139140735 1091461705 /nfs/dbraw/zinc/46/17/05/1091461705.db2.gz QCPQCFJDLJCAAE-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)CC[C@@H]1F ZINC001206201311 1091532111 /nfs/dbraw/zinc/53/21/11/1091532111.db2.gz WURPWJLSFMISJN-KBPBESRZSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)CC[C@@H]1F ZINC001206201311 1091532117 /nfs/dbraw/zinc/53/21/17/1091532117.db2.gz WURPWJLSFMISJN-KBPBESRZSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@H]1F ZINC001206211301 1091537439 /nfs/dbraw/zinc/53/74/39/1091537439.db2.gz NDVRCKAVONPKGI-IAGOWNOFSA-N 2 2 317.383 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@H]1F ZINC001206211301 1091537447 /nfs/dbraw/zinc/53/74/47/1091537447.db2.gz NDVRCKAVONPKGI-IAGOWNOFSA-N 2 2 317.383 3.149 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2csc(C(F)(F)F)n2)CC1 ZINC001206310711 1091573594 /nfs/dbraw/zinc/57/35/94/1091573594.db2.gz AKICMWFMMPKDPX-LBPRGKRZSA-N 2 2 307.385 3.113 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2csc(C(F)(F)F)n2)CC1 ZINC001206310711 1091573602 /nfs/dbraw/zinc/57/36/02/1091573602.db2.gz AKICMWFMMPKDPX-LBPRGKRZSA-N 2 2 307.385 3.113 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139504723 1091578286 /nfs/dbraw/zinc/57/82/86/1091578286.db2.gz IVLHGPHTGCNJJD-SJLPKXTDSA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139504723 1091578292 /nfs/dbraw/zinc/57/82/92/1091578292.db2.gz IVLHGPHTGCNJJD-SJLPKXTDSA-N 2 2 313.470 3.194 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Br)s2)C1 ZINC001206550190 1091665340 /nfs/dbraw/zinc/66/53/40/1091665340.db2.gz XHVCVYDPJXNJSS-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC001206550190 1091665342 /nfs/dbraw/zinc/66/53/42/1091665342.db2.gz XHVCVYDPJXNJSS-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555346 1091666907 /nfs/dbraw/zinc/66/69/07/1091666907.db2.gz JIZAFHLSYDQQBR-IBGZPJMESA-N 3 2 312.461 3.132 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555346 1091666912 /nfs/dbraw/zinc/66/69/12/1091666912.db2.gz JIZAFHLSYDQQBR-IBGZPJMESA-N 3 2 312.461 3.132 20 0 DGADLP COc1c(F)ccc(F)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206592185 1091681258 /nfs/dbraw/zinc/68/12/58/1091681258.db2.gz XZUNCZIXOSOUEZ-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP COc1c(F)ccc(F)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206592185 1091681262 /nfs/dbraw/zinc/68/12/62/1091681262.db2.gz XZUNCZIXOSOUEZ-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842495 1091689601 /nfs/dbraw/zinc/68/96/01/1091689601.db2.gz IWPIASOKCPETIK-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842495 1091689602 /nfs/dbraw/zinc/68/96/02/1091689602.db2.gz IWPIASOKCPETIK-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842495 1091689603 /nfs/dbraw/zinc/68/96/03/1091689603.db2.gz IWPIASOKCPETIK-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842495 1091689604 /nfs/dbraw/zinc/68/96/04/1091689604.db2.gz IWPIASOKCPETIK-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490996 1091690156 /nfs/dbraw/zinc/69/01/56/1091690156.db2.gz ALJLSFFAGOXRDX-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490996 1091690161 /nfs/dbraw/zinc/69/01/61/1091690161.db2.gz ALJLSFFAGOXRDX-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490996 1091690169 /nfs/dbraw/zinc/69/01/69/1091690169.db2.gz ALJLSFFAGOXRDX-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490996 1091690174 /nfs/dbraw/zinc/69/01/74/1091690174.db2.gz ALJLSFFAGOXRDX-KRWDZBQOSA-N 2 2 307.869 3.230 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206745395 1091721733 /nfs/dbraw/zinc/72/17/33/1091721733.db2.gz WZXDGJOOOKNUKO-UHFFFAOYSA-N 2 2 314.404 3.282 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccnnc3)C[C@@H]21 ZINC001139983146 1091729994 /nfs/dbraw/zinc/72/99/94/1091729994.db2.gz MWETUUODYBTAHT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccnnc3)C[C@@H]21 ZINC001139983146 1091729998 /nfs/dbraw/zinc/72/99/98/1091729998.db2.gz MWETUUODYBTAHT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccnnc3)C[C@@H]21 ZINC001139983146 1091730009 /nfs/dbraw/zinc/73/00/09/1091730009.db2.gz MWETUUODYBTAHT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccnnc3)C[C@@H]21 ZINC001139983146 1091730020 /nfs/dbraw/zinc/73/00/20/1091730020.db2.gz MWETUUODYBTAHT-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP COc1c(F)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206771364 1091733308 /nfs/dbraw/zinc/73/33/08/1091733308.db2.gz WJNYCPMDWNWDPN-MNOVXSKESA-N 2 2 300.805 3.047 20 0 DGADLP COc1c(F)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Cl ZINC001206771364 1091733311 /nfs/dbraw/zinc/73/33/11/1091733311.db2.gz WJNYCPMDWNWDPN-MNOVXSKESA-N 2 2 300.805 3.047 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001140021181 1091741190 /nfs/dbraw/zinc/74/11/90/1091741190.db2.gz JKTBPGDYFAOKFR-IBGZPJMESA-N 2 2 311.429 3.183 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001140021181 1091741197 /nfs/dbraw/zinc/74/11/97/1091741197.db2.gz JKTBPGDYFAOKFR-IBGZPJMESA-N 2 2 311.429 3.183 20 0 DGADLP CC(C)[N@H+](Cc1ccccc1-c1cncnc1)C1CC[NH+](C)CC1 ZINC001140023985 1091742684 /nfs/dbraw/zinc/74/26/84/1091742684.db2.gz SZTHAPAZJNABBI-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[N@@H+](Cc1ccccc1-c1cncnc1)C1CC[NH+](C)CC1 ZINC001140023985 1091742688 /nfs/dbraw/zinc/74/26/88/1091742688.db2.gz SZTHAPAZJNABBI-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)n1C ZINC001206795185 1091743370 /nfs/dbraw/zinc/74/33/70/1091743370.db2.gz SIYKFZISPBFGTQ-QGZVFWFLSA-N 2 2 319.836 3.425 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)n1C ZINC001206795185 1091743378 /nfs/dbraw/zinc/74/33/78/1091743378.db2.gz SIYKFZISPBFGTQ-QGZVFWFLSA-N 2 2 319.836 3.425 20 0 DGADLP CC[N@H+](Cc1cc(C(F)(F)F)ccn1)C1CC[NH+](C)CC1 ZINC001140106434 1091770027 /nfs/dbraw/zinc/77/00/27/1091770027.db2.gz ILDRSUMKAWYMHI-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1cc(C(F)(F)F)ccn1)C1CC[NH+](C)CC1 ZINC001140106434 1091770030 /nfs/dbraw/zinc/77/00/30/1091770030.db2.gz ILDRSUMKAWYMHI-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207053832 1091831175 /nfs/dbraw/zinc/83/11/75/1091831175.db2.gz YWIGSFQDOWOYBI-KRWDZBQOSA-N 2 2 320.440 3.213 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cncc(C)c4)C[C@H]3C2)cc1 ZINC001207155764 1091867046 /nfs/dbraw/zinc/86/70/46/1091867046.db2.gz BNNRJMAHIIFAOY-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]CCC3CC3)(C1)CCC2 ZINC001276513680 1091876566 /nfs/dbraw/zinc/87/65/66/1091876566.db2.gz RWNGYLNCSSHBLE-MOPGFXCFSA-N 2 2 316.493 3.228 20 0 DGADLP c1ccc2[nH]c(C[NH+]3CC4(C3)CC[NH+](CCC3CC3)CC4)nc2c1 ZINC001276513624 1091877558 /nfs/dbraw/zinc/87/75/58/1091877558.db2.gz QGYTUJIETLXRIU-UHFFFAOYSA-N 2 2 324.472 3.261 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196988 1091884369 /nfs/dbraw/zinc/88/43/69/1091884369.db2.gz NWYKQHRYPNVIJA-FZCLSBEQSA-N 2 2 304.865 3.470 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196988 1091884378 /nfs/dbraw/zinc/88/43/78/1091884378.db2.gz NWYKQHRYPNVIJA-FZCLSBEQSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196988 1091884385 /nfs/dbraw/zinc/88/43/85/1091884385.db2.gz NWYKQHRYPNVIJA-FZCLSBEQSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]21 ZINC001207196988 1091884396 /nfs/dbraw/zinc/88/43/96/1091884396.db2.gz NWYKQHRYPNVIJA-FZCLSBEQSA-N 2 2 304.865 3.470 20 0 DGADLP CC(C)[N@H+](Cc1ccnn1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001140529183 1091897586 /nfs/dbraw/zinc/89/75/86/1091897586.db2.gz FSKRIRLETNIOMI-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[N@@H+](Cc1ccnn1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001140529183 1091897595 /nfs/dbraw/zinc/89/75/95/1091897595.db2.gz FSKRIRLETNIOMI-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716289258 1091952748 /nfs/dbraw/zinc/95/27/48/1091952748.db2.gz KABWPKZPUQXBJX-INIZCTEOSA-N 2 2 312.432 3.478 20 0 DGADLP COc1ccccc1CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001207458213 1091975827 /nfs/dbraw/zinc/97/58/27/1091975827.db2.gz PEUQOURCXIUPNI-KRWDZBQOSA-N 2 2 312.413 3.094 20 0 DGADLP COc1ccccc1CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001207458213 1091975833 /nfs/dbraw/zinc/97/58/33/1091975833.db2.gz PEUQOURCXIUPNI-KRWDZBQOSA-N 2 2 312.413 3.094 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001140725804 1091976511 /nfs/dbraw/zinc/97/65/11/1091976511.db2.gz PXPBENCDUKFYDM-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](CCc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001207521537 1092006382 /nfs/dbraw/zinc/00/63/82/1092006382.db2.gz ZHKRLVYJWHLEPJ-VQTJNVASSA-N 2 2 316.489 3.005 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](CCc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001207521537 1092006393 /nfs/dbraw/zinc/00/63/93/1092006393.db2.gz ZHKRLVYJWHLEPJ-VQTJNVASSA-N 2 2 316.489 3.005 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](CCc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001207521537 1092006410 /nfs/dbraw/zinc/00/64/10/1092006410.db2.gz ZHKRLVYJWHLEPJ-VQTJNVASSA-N 2 2 316.489 3.005 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](CCc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001207521537 1092006421 /nfs/dbraw/zinc/00/64/21/1092006421.db2.gz ZHKRLVYJWHLEPJ-VQTJNVASSA-N 2 2 316.489 3.005 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001140805291 1092011029 /nfs/dbraw/zinc/01/10/29/1092011029.db2.gz ZQLDLVBABSDOCW-UHFFFAOYSA-N 2 2 306.413 3.413 20 0 DGADLP COc1cccc(CCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001207561466 1092023430 /nfs/dbraw/zinc/02/34/30/1092023430.db2.gz SAIJOKYMQUVQCU-UHFFFAOYSA-N 2 2 314.473 3.046 20 0 DGADLP COc1cccc(CCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001207561466 1092023439 /nfs/dbraw/zinc/02/34/39/1092023439.db2.gz SAIJOKYMQUVQCU-UHFFFAOYSA-N 2 2 314.473 3.046 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(F)ccc2N(C)C)CC1 ZINC001207582301 1092029511 /nfs/dbraw/zinc/02/95/11/1092029511.db2.gz ZHGWEPISOLYTOC-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2c(N)cccc2F)C2CCCC2)CC1 ZINC001140878378 1092044551 /nfs/dbraw/zinc/04/45/51/1092044551.db2.gz VJMHVQCDTWJMMB-UHFFFAOYSA-N 2 2 305.441 3.247 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2c(N)cccc2F)C2CCCC2)CC1 ZINC001140878378 1092044559 /nfs/dbraw/zinc/04/45/59/1092044559.db2.gz VJMHVQCDTWJMMB-UHFFFAOYSA-N 2 2 305.441 3.247 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207894429 1092131120 /nfs/dbraw/zinc/13/11/20/1092131120.db2.gz LLBBMYGOZFOHQG-SFHVURJKSA-N 2 2 322.880 3.415 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207894429 1092131125 /nfs/dbraw/zinc/13/11/25/1092131125.db2.gz LLBBMYGOZFOHQG-SFHVURJKSA-N 2 2 322.880 3.415 20 0 DGADLP C[C@H](C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904222 1092134471 /nfs/dbraw/zinc/13/44/71/1092134471.db2.gz WCSBKFVZXWHRMQ-UIFIKXQLSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904222 1092134478 /nfs/dbraw/zinc/13/44/78/1092134478.db2.gz WCSBKFVZXWHRMQ-UIFIKXQLSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904222 1092134483 /nfs/dbraw/zinc/13/44/83/1092134483.db2.gz WCSBKFVZXWHRMQ-UIFIKXQLSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904222 1092134489 /nfs/dbraw/zinc/13/44/89/1092134489.db2.gz WCSBKFVZXWHRMQ-UIFIKXQLSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@@H](C[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1)c1ccccc1 ZINC001207906772 1092135934 /nfs/dbraw/zinc/13/59/34/1092135934.db2.gz OOAZIDHSYLBKRQ-KRWDZBQOSA-N 2 2 324.472 3.098 20 0 DGADLP C[C@@H](C[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1)c1ccccc1 ZINC001207906772 1092135940 /nfs/dbraw/zinc/13/59/40/1092135940.db2.gz OOAZIDHSYLBKRQ-KRWDZBQOSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)o1 ZINC001207952491 1092156848 /nfs/dbraw/zinc/15/68/48/1092156848.db2.gz WPJACTFKPUXWSB-UHFFFAOYSA-N 2 2 308.441 3.419 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962201 1092160494 /nfs/dbraw/zinc/16/04/94/1092160494.db2.gz IVXXNJPVXAZTII-IBGZPJMESA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962201 1092160497 /nfs/dbraw/zinc/16/04/97/1092160497.db2.gz IVXXNJPVXAZTII-IBGZPJMESA-N 2 2 320.452 3.291 20 0 DGADLP c1cn(C2CC[NH+](Cc3ccc(-c4ncccn4)cc3)CC2)c[nH+]1 ZINC001141187864 1092166508 /nfs/dbraw/zinc/16/65/08/1092166508.db2.gz RHGIJXBHAJNUAZ-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001141226986 1092185248 /nfs/dbraw/zinc/18/52/48/1092185248.db2.gz LHDOZTAHINMDOU-PMACEKPBSA-N 2 2 321.468 3.208 20 0 DGADLP COCC[N@H+](CC[C@@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208153275 1092224281 /nfs/dbraw/zinc/22/42/81/1092224281.db2.gz DUAJGAZBCKVEOI-OAHLLOKOSA-N 2 2 308.466 3.124 20 0 DGADLP COCC[N@@H+](CC[C@@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208153275 1092224285 /nfs/dbraw/zinc/22/42/85/1092224285.db2.gz DUAJGAZBCKVEOI-OAHLLOKOSA-N 2 2 308.466 3.124 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC(C)=C[C@H]3C)CC2)c1 ZINC001208166870 1092232633 /nfs/dbraw/zinc/23/26/33/1092232633.db2.gz CRDKDWYTPSDTFH-IAGOWNOFSA-N 2 2 315.461 3.205 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)[nH+]1 ZINC001142066049 1092402315 /nfs/dbraw/zinc/40/23/15/1092402315.db2.gz RWJFWGPBXSBPEU-BFUOFWGJSA-N 2 2 317.477 3.247 20 0 DGADLP C[N@H+](CCCC(C)(C)C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001492304864 1092470206 /nfs/dbraw/zinc/47/02/06/1092470206.db2.gz XVFPNVDJXJGCMF-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP C[N@@H+](CCCC(C)(C)C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001492304864 1092470212 /nfs/dbraw/zinc/47/02/12/1092470212.db2.gz XVFPNVDJXJGCMF-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC1(C)C[C@@H]([NH2+]c2ccc3c(c2)NCCO3)C[C@@](C)(C[NH3+])C1 ZINC001169143527 1092558606 /nfs/dbraw/zinc/55/86/06/1092558606.db2.gz KILUMDBZQIZRAY-RDTXWAMCSA-N 2 2 303.450 3.447 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001169148431 1092563015 /nfs/dbraw/zinc/56/30/15/1092563015.db2.gz YWWGFXNDTOCQBS-FUMNGEBKSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001169148431 1092563022 /nfs/dbraw/zinc/56/30/22/1092563022.db2.gz YWWGFXNDTOCQBS-FUMNGEBKSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148431 1092563034 /nfs/dbraw/zinc/56/30/34/1092563034.db2.gz YWWGFXNDTOCQBS-FUMNGEBKSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148431 1092563044 /nfs/dbraw/zinc/56/30/44/1092563044.db2.gz YWWGFXNDTOCQBS-FUMNGEBKSA-N 2 2 314.473 3.168 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208883390 1092562974 /nfs/dbraw/zinc/56/29/74/1092562974.db2.gz VZBQAUFJGSEIEO-LJQANCHMSA-N 2 2 318.436 3.415 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208883390 1092562983 /nfs/dbraw/zinc/56/29/83/1092562983.db2.gz VZBQAUFJGSEIEO-LJQANCHMSA-N 2 2 318.436 3.415 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccn2)c1 ZINC001142848981 1092566302 /nfs/dbraw/zinc/56/63/02/1092566302.db2.gz HONHKUHWMKKUMW-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccn2)c1 ZINC001142848981 1092566308 /nfs/dbraw/zinc/56/63/08/1092566308.db2.gz HONHKUHWMKKUMW-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596772 1092566608 /nfs/dbraw/zinc/56/66/08/1092566608.db2.gz AHJMFQKEFAAKOP-LJQANCHMSA-N 2 2 301.478 3.297 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596772 1092566618 /nfs/dbraw/zinc/56/66/18/1092566618.db2.gz AHJMFQKEFAAKOP-LJQANCHMSA-N 2 2 301.478 3.297 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596772 1092566623 /nfs/dbraw/zinc/56/66/23/1092566623.db2.gz AHJMFQKEFAAKOP-LJQANCHMSA-N 2 2 301.478 3.297 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276596772 1092566630 /nfs/dbraw/zinc/56/66/30/1092566630.db2.gz AHJMFQKEFAAKOP-LJQANCHMSA-N 2 2 301.478 3.297 20 0 DGADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929450 1092589061 /nfs/dbraw/zinc/58/90/61/1092589061.db2.gz SIGPFHRZZDKVOZ-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208929450 1092589068 /nfs/dbraw/zinc/58/90/68/1092589068.db2.gz SIGPFHRZZDKVOZ-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929450 1092589079 /nfs/dbraw/zinc/58/90/79/1092589079.db2.gz SIGPFHRZZDKVOZ-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929450 1092589086 /nfs/dbraw/zinc/58/90/86/1092589086.db2.gz SIGPFHRZZDKVOZ-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP F[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933335 1092597406 /nfs/dbraw/zinc/59/74/06/1092597406.db2.gz DOTFEQSSJOOLPW-YDZRNGNQSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933335 1092597418 /nfs/dbraw/zinc/59/74/18/1092597418.db2.gz DOTFEQSSJOOLPW-YDZRNGNQSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933335 1092597430 /nfs/dbraw/zinc/59/74/30/1092597430.db2.gz DOTFEQSSJOOLPW-YDZRNGNQSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933335 1092597440 /nfs/dbraw/zinc/59/74/40/1092597440.db2.gz DOTFEQSSJOOLPW-YDZRNGNQSA-N 2 2 302.437 3.188 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950850 1092608883 /nfs/dbraw/zinc/60/88/83/1092608883.db2.gz WVAQOIMIBBMZTF-ICSRJNTNSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950850 1092608889 /nfs/dbraw/zinc/60/88/89/1092608889.db2.gz WVAQOIMIBBMZTF-ICSRJNTNSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950850 1092608894 /nfs/dbraw/zinc/60/88/94/1092608894.db2.gz WVAQOIMIBBMZTF-ICSRJNTNSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@H]3c3cnccn3)C2)cc1 ZINC001208950850 1092608900 /nfs/dbraw/zinc/60/89/00/1092608900.db2.gz WVAQOIMIBBMZTF-ICSRJNTNSA-N 2 2 322.456 3.136 20 0 DGADLP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143257189 1092644207 /nfs/dbraw/zinc/64/42/07/1092644207.db2.gz QJRMZAWEXUCBEB-UHFFFAOYSA-N 2 2 320.330 3.250 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143257189 1092644212 /nfs/dbraw/zinc/64/42/12/1092644212.db2.gz QJRMZAWEXUCBEB-UHFFFAOYSA-N 2 2 320.330 3.250 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143268006 1092647903 /nfs/dbraw/zinc/64/79/03/1092647903.db2.gz WKDSUGMOIZJZMY-UHFFFAOYSA-N 2 2 322.346 3.498 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143268006 1092647907 /nfs/dbraw/zinc/64/79/07/1092647907.db2.gz WKDSUGMOIZJZMY-UHFFFAOYSA-N 2 2 322.346 3.498 20 0 DGADLP CC(C)=CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001276627190 1092712202 /nfs/dbraw/zinc/71/22/02/1092712202.db2.gz OVXTWJWKNJNCDZ-KRWDZBQOSA-N 2 2 315.461 3.071 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263036 1092717474 /nfs/dbraw/zinc/71/74/74/1092717474.db2.gz KJEDOZRZMWPCNQ-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263036 1092717481 /nfs/dbraw/zinc/71/74/81/1092717481.db2.gz KJEDOZRZMWPCNQ-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263036 1092717487 /nfs/dbraw/zinc/71/74/87/1092717487.db2.gz KJEDOZRZMWPCNQ-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263036 1092717494 /nfs/dbraw/zinc/71/74/94/1092717494.db2.gz KJEDOZRZMWPCNQ-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](CCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001209281132 1092722261 /nfs/dbraw/zinc/72/22/61/1092722261.db2.gz ACDYREUABGNNJC-GJZGRUSLSA-N 2 2 312.379 3.131 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281783 1092722475 /nfs/dbraw/zinc/72/24/75/1092722475.db2.gz HSQOEICGRYQBMF-INIZCTEOSA-N 2 2 312.379 3.276 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281783 1092722483 /nfs/dbraw/zinc/72/24/83/1092722483.db2.gz HSQOEICGRYQBMF-INIZCTEOSA-N 2 2 312.379 3.276 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281783 1092722492 /nfs/dbraw/zinc/72/24/92/1092722492.db2.gz HSQOEICGRYQBMF-INIZCTEOSA-N 2 2 312.379 3.276 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281783 1092722499 /nfs/dbraw/zinc/72/24/99/1092722499.db2.gz HSQOEICGRYQBMF-INIZCTEOSA-N 2 2 312.379 3.276 20 0 DGADLP COc1c(F)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206633135 1092766495 /nfs/dbraw/zinc/76/64/95/1092766495.db2.gz UODSGCPTTSQLJY-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1c(F)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206633135 1092766499 /nfs/dbraw/zinc/76/64/99/1092766499.db2.gz UODSGCPTTSQLJY-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c2c(OC)cccc12 ZINC001210474594 1093180293 /nfs/dbraw/zinc/18/02/93/1093180293.db2.gz GWPICEOVZGXAAX-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c2c(OC)cccc12 ZINC001210474594 1093180299 /nfs/dbraw/zinc/18/02/99/1093180299.db2.gz GWPICEOVZGXAAX-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC001210476679 1093181846 /nfs/dbraw/zinc/18/18/46/1093181846.db2.gz XJZNFOPDNYIYKY-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[NH2+]1 ZINC001210476679 1093181851 /nfs/dbraw/zinc/18/18/51/1093181851.db2.gz XJZNFOPDNYIYKY-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP Cc1cc(C[NH+]2CC(C[NH3+])C2)ccc1Oc1ccc(F)cc1 ZINC001210546539 1093203840 /nfs/dbraw/zinc/20/38/40/1093203840.db2.gz XOWANWOGHFFTLZ-UHFFFAOYSA-N 2 2 300.377 3.317 20 0 DGADLP C[NH+]1CCC(n2cc(Nc3ccc(-n4cc[nH+]c4)cc3)cn2)CC1 ZINC001210755717 1093272900 /nfs/dbraw/zinc/27/29/00/1093272900.db2.gz RHGJWVKDUFHICQ-UHFFFAOYSA-N 2 2 322.416 3.079 20 0 DGADLP Cc1[nH]c2ccc(Nc3cccc(C[NH+]4CCOCC4)c3)cc2[nH+]1 ZINC001213074048 1093510498 /nfs/dbraw/zinc/51/04/98/1093510498.db2.gz AKPVPFTYNLSBKF-UHFFFAOYSA-N 2 2 322.412 3.447 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCCC1(F)F ZINC001119928475 1094311009 /nfs/dbraw/zinc/31/10/09/1094311009.db2.gz LGSJYFJYBJPYBA-LBPRGKRZSA-N 2 2 320.343 3.340 20 0 DGADLP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964525 1094350583 /nfs/dbraw/zinc/35/05/83/1094350583.db2.gz MQCPMYOQFOGRTL-LSDHHAIUSA-N 2 2 316.449 3.011 20 0 DGADLP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964524 1094351133 /nfs/dbraw/zinc/35/11/33/1094351133.db2.gz MQCPMYOQFOGRTL-HUUCEWRRSA-N 2 2 316.449 3.011 20 0 DGADLP C(CC1CCCCC1)c1nnc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001217706885 1094477314 /nfs/dbraw/zinc/47/73/14/1094477314.db2.gz WSGFILAOCBAJCE-HNNXBMFYSA-N 2 2 318.465 3.129 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001336261736 1094607755 /nfs/dbraw/zinc/60/77/55/1094607755.db2.gz HAJFMNRZLSSDCI-YOEHRIQHSA-N 2 2 306.425 3.092 20 0 DGADLP Cc1cccc2c(C[NH+]3CCC[C@@]4(CCC[N@@H+](C)C4)C3)[nH]nc21 ZINC001276777670 1094672824 /nfs/dbraw/zinc/67/28/24/1094672824.db2.gz XPHRRCNPNKEOKY-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1cccc2c(C[NH+]3CCC[C@@]4(CCC[N@H+](C)C4)C3)[nH]nc21 ZINC001276777670 1094672827 /nfs/dbraw/zinc/67/28/27/1094672827.db2.gz XPHRRCNPNKEOKY-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1cccc2c(C[N@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)[nH]nc21 ZINC001276777670 1094672833 /nfs/dbraw/zinc/67/28/33/1094672833.db2.gz XPHRRCNPNKEOKY-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1cccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)[nH]nc21 ZINC001276777670 1094672836 /nfs/dbraw/zinc/67/28/36/1094672836.db2.gz XPHRRCNPNKEOKY-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP CC(C)CC[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC001336855332 1094761336 /nfs/dbraw/zinc/76/13/36/1094761336.db2.gz XJOLAWOYUNJPMP-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP CC(C)CC[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001336855332 1094761345 /nfs/dbraw/zinc/76/13/45/1094761345.db2.gz XJOLAWOYUNJPMP-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001218499097 1094823641 /nfs/dbraw/zinc/82/36/41/1094823641.db2.gz MLAGUNRPJUHTFL-CVEARBPZSA-N 2 2 320.396 3.156 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170978047 1095070166 /nfs/dbraw/zinc/07/01/66/1095070166.db2.gz RZHRJZLEWCLCRQ-ROUUACIJSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170978047 1095070180 /nfs/dbraw/zinc/07/01/80/1095070180.db2.gz RZHRJZLEWCLCRQ-ROUUACIJSA-N 2 2 310.416 3.069 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000315171063 1095091843 /nfs/dbraw/zinc/09/18/43/1095091843.db2.gz HYSVJFLMQYLQFX-BZSNNMDCSA-N 2 2 300.446 3.289 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000315171063 1095091857 /nfs/dbraw/zinc/09/18/57/1095091857.db2.gz HYSVJFLMQYLQFX-BZSNNMDCSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000316507094 1095176709 /nfs/dbraw/zinc/17/67/09/1095176709.db2.gz AXIISAIXEZHLPY-YOEHRIQHSA-N 2 2 301.434 3.224 20 0 DGADLP C/C(=C/c1ccco1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001136818648 1095180735 /nfs/dbraw/zinc/18/07/35/1095180735.db2.gz FMPXBNKLMGJIFR-BENRWUELSA-N 2 2 308.341 3.211 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919288 1095201026 /nfs/dbraw/zinc/20/10/26/1095201026.db2.gz CYXJLTXJVFXHNJ-CWRNSKLLSA-N 2 2 320.502 3.141 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919288 1095201035 /nfs/dbraw/zinc/20/10/35/1095201035.db2.gz CYXJLTXJVFXHNJ-CWRNSKLLSA-N 2 2 320.502 3.141 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCCCC2CCCCC2)cc1 ZINC001221332789 1095245372 /nfs/dbraw/zinc/24/53/72/1095245372.db2.gz MMYILSPXXQZTHK-SFHVURJKSA-N 2 2 317.477 3.126 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001338447475 1095308255 /nfs/dbraw/zinc/30/82/55/1095308255.db2.gz BMTVQZKMUATWDH-NXHRZFHOSA-N 2 2 315.461 3.052 20 0 DGADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccn4cc[nH+]c4c3)c2C1 ZINC001171093931 1095321035 /nfs/dbraw/zinc/32/10/35/1095321035.db2.gz FBYSFRLQCRZNFU-CYBMUJFWSA-N 2 2 302.381 3.094 20 0 DGADLP Cc1ccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)cc1 ZINC000197323114 1095398477 /nfs/dbraw/zinc/39/84/77/1095398477.db2.gz KOSUHOCBZHRGCE-UHFFFAOYSA-N 2 2 315.505 3.429 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)c(OC)c(Cl)c2)CC1 ZINC001143847488 1095401775 /nfs/dbraw/zinc/40/17/75/1095401775.db2.gz OYFLQLPYQCCTFA-UHFFFAOYSA-N 2 2 314.832 3.404 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(OC)c(Cl)c2)CC1 ZINC001143847488 1095401782 /nfs/dbraw/zinc/40/17/82/1095401782.db2.gz OYFLQLPYQCCTFA-UHFFFAOYSA-N 2 2 314.832 3.404 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC001222141415 1095452981 /nfs/dbraw/zinc/45/29/81/1095452981.db2.gz KTXFKUJTHRTGBL-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1C(F)(F)F ZINC001222141415 1095452986 /nfs/dbraw/zinc/45/29/86/1095452986.db2.gz KTXFKUJTHRTGBL-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222148108 1095456843 /nfs/dbraw/zinc/45/68/43/1095456843.db2.gz KKTZRXYKMQUFHP-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222148108 1095456849 /nfs/dbraw/zinc/45/68/49/1095456849.db2.gz KKTZRXYKMQUFHP-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148410 1095457163 /nfs/dbraw/zinc/45/71/63/1095457163.db2.gz NWWHSVZVNNYSEG-HXUWFJFHSA-N 2 2 323.440 3.449 20 0 DGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148410 1095457169 /nfs/dbraw/zinc/45/71/69/1095457169.db2.gz NWWHSVZVNNYSEG-HXUWFJFHSA-N 2 2 323.440 3.449 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC001222148148 1095457476 /nfs/dbraw/zinc/45/74/76/1095457476.db2.gz LWZRKXCUIRUKIJ-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC001222148148 1095457483 /nfs/dbraw/zinc/45/74/83/1095457483.db2.gz LWZRKXCUIRUKIJ-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP Clc1cccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222160319 1095466750 /nfs/dbraw/zinc/46/67/50/1095466750.db2.gz FLMKGDGFXICEFC-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222160319 1095466754 /nfs/dbraw/zinc/46/67/54/1095466754.db2.gz FLMKGDGFXICEFC-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Nc1nccc(Cl)c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160876 1095467717 /nfs/dbraw/zinc/46/77/17/1095467717.db2.gz JSFBSQXTKJJLDN-QGZVFWFLSA-N 2 2 322.884 3.063 20 0 DGADLP Nc1nccc(Cl)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222160876 1095467720 /nfs/dbraw/zinc/46/77/20/1095467720.db2.gz JSFBSQXTKJJLDN-QGZVFWFLSA-N 2 2 322.884 3.063 20 0 DGADLP Cc1nc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222173856 1095478977 /nfs/dbraw/zinc/47/89/77/1095478977.db2.gz YNSOXXYTOCPPFO-SFHVURJKSA-N 2 2 305.441 3.275 20 0 DGADLP Cc1nc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222173856 1095478984 /nfs/dbraw/zinc/47/89/84/1095478984.db2.gz YNSOXXYTOCPPFO-SFHVURJKSA-N 2 2 305.441 3.275 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1Cl ZINC001222265258 1095518915 /nfs/dbraw/zinc/51/89/15/1095518915.db2.gz QGHQZDACDGINPU-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1Cl ZINC001222265258 1095518927 /nfs/dbraw/zinc/51/89/27/1095518927.db2.gz QGHQZDACDGINPU-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2c(c1)CCCO2 ZINC001222277577 1095524843 /nfs/dbraw/zinc/52/48/43/1095524843.db2.gz PKSZKWBBWGTHGW-LJQANCHMSA-N 2 2 318.436 3.116 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2c(c1)CCCO2 ZINC001222277577 1095524850 /nfs/dbraw/zinc/52/48/50/1095524850.db2.gz PKSZKWBBWGTHGW-LJQANCHMSA-N 2 2 318.436 3.116 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1F ZINC001222278199 1095525025 /nfs/dbraw/zinc/52/50/25/1095525025.db2.gz XRLMUGDQNVEMBE-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1F ZINC001222278199 1095525030 /nfs/dbraw/zinc/52/50/30/1095525030.db2.gz XRLMUGDQNVEMBE-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282810 1095528252 /nfs/dbraw/zinc/52/82/52/1095528252.db2.gz OGUHMTDWUXGGKI-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282810 1095528260 /nfs/dbraw/zinc/52/82/60/1095528260.db2.gz OGUHMTDWUXGGKI-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001339194305 1095534687 /nfs/dbraw/zinc/53/46/87/1095534687.db2.gz MCNLVXXYLRRJOK-INIZCTEOSA-N 3 2 312.461 3.255 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3CC4(C3)CCC[NH2+]C4)ccc2c1 ZINC001222340409 1095560019 /nfs/dbraw/zinc/56/00/19/1095560019.db2.gz NYORDHCVNDQJHG-UHFFFAOYSA-N 2 2 309.457 3.091 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222340360 1095560297 /nfs/dbraw/zinc/56/02/97/1095560297.db2.gz MMHZAFRIBATKLU-UHFFFAOYSA-N 2 2 302.462 3.276 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)nc1 ZINC001222353881 1095567581 /nfs/dbraw/zinc/56/75/81/1095567581.db2.gz KGAFJOMKJVKWJU-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2)nc1 ZINC001222353881 1095567590 /nfs/dbraw/zinc/56/75/90/1095567590.db2.gz KGAFJOMKJVKWJU-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)nc1 ZINC001222354299 1095570708 /nfs/dbraw/zinc/57/07/08/1095570708.db2.gz MTLUCQMEPDELFA-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)nc1 ZINC001222354299 1095570710 /nfs/dbraw/zinc/57/07/10/1095570710.db2.gz MTLUCQMEPDELFA-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222422088 1095605192 /nfs/dbraw/zinc/60/51/92/1095605192.db2.gz RPRRWUCWMSYGBX-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222422088 1095605200 /nfs/dbraw/zinc/60/52/00/1095605200.db2.gz RPRRWUCWMSYGBX-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222477759 1095634500 /nfs/dbraw/zinc/63/45/00/1095634500.db2.gz QBSFOYLUSPLUFU-HXUWFJFHSA-N 2 2 308.425 3.387 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)cc2)cc1 ZINC001222477759 1095634506 /nfs/dbraw/zinc/63/45/06/1095634506.db2.gz QBSFOYLUSPLUFU-HXUWFJFHSA-N 2 2 308.425 3.387 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(-c2cnn(CC[NH+]3CCCC3)c2)c1 ZINC001222492937 1095639276 /nfs/dbraw/zinc/63/92/76/1095639276.db2.gz CPFZRBNJGKJILZ-UHFFFAOYSA-N 2 2 321.428 3.046 20 0 DGADLP [NH3+]CC1(F)CC[NH+](Cc2c(F)cc(Cl)cc2Cl)CC1 ZINC001222548280 1095661544 /nfs/dbraw/zinc/66/15/44/1095661544.db2.gz DTEASPHXWSHSGN-UHFFFAOYSA-N 2 2 309.187 3.395 20 0 DGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)cn1 ZINC001116878132 1095686644 /nfs/dbraw/zinc/68/66/44/1095686644.db2.gz UIWKCSMZLMWYCO-KRWDZBQOSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)cn1 ZINC001116878132 1095686648 /nfs/dbraw/zinc/68/66/48/1095686648.db2.gz UIWKCSMZLMWYCO-KRWDZBQOSA-N 2 2 321.428 3.190 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144624668 1095733369 /nfs/dbraw/zinc/73/33/69/1095733369.db2.gz PEZRRUOWOOLYDL-QGZVFWFLSA-N 2 2 320.440 3.213 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137768947 1095736952 /nfs/dbraw/zinc/73/69/52/1095736952.db2.gz ILDMOHAQUMIJJE-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH+]cn2ccccc12 ZINC001144623181 1095738832 /nfs/dbraw/zinc/73/88/32/1095738832.db2.gz RZXHCOPHIMLNJU-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH+]cn2ccccc12 ZINC001144623181 1095738843 /nfs/dbraw/zinc/73/88/43/1095738843.db2.gz RZXHCOPHIMLNJU-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001117627974 1095788468 /nfs/dbraw/zinc/78/84/68/1095788468.db2.gz BQKAHIXPFGQRQA-OAHLLOKOSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001117627974 1095788475 /nfs/dbraw/zinc/78/84/75/1095788475.db2.gz BQKAHIXPFGQRQA-OAHLLOKOSA-N 2 2 300.406 3.071 20 0 DGADLP Clc1nc2ccccc2cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001137979028 1095813140 /nfs/dbraw/zinc/81/31/40/1095813140.db2.gz XPIWLBGDIVOSTE-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP Clc1nc2ccccc2cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001137979028 1095813159 /nfs/dbraw/zinc/81/31/59/1095813159.db2.gz XPIWLBGDIVOSTE-UHFFFAOYSA-N 2 2 312.804 3.143 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865115 1095876180 /nfs/dbraw/zinc/87/61/80/1095876180.db2.gz RDMHRURGVDQYHN-GOSISDBHSA-N 2 2 316.424 3.010 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865115 1095876209 /nfs/dbraw/zinc/87/62/09/1095876209.db2.gz RDMHRURGVDQYHN-GOSISDBHSA-N 2 2 316.424 3.010 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865115 1095876227 /nfs/dbraw/zinc/87/62/27/1095876227.db2.gz RDMHRURGVDQYHN-GOSISDBHSA-N 2 2 316.424 3.010 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865115 1095876247 /nfs/dbraw/zinc/87/62/47/1095876247.db2.gz RDMHRURGVDQYHN-GOSISDBHSA-N 2 2 316.424 3.010 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])c2)[nH+]c1C ZINC001118219123 1095961909 /nfs/dbraw/zinc/96/19/09/1095961909.db2.gz PVFGQDBQEXAORN-HZPDHXFCSA-N 2 2 312.417 3.150 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429264 1096008908 /nfs/dbraw/zinc/00/89/08/1096008908.db2.gz CBCGYKPHZFQHMD-MHABSNSOSA-N 2 2 321.415 3.069 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429264 1096008919 /nfs/dbraw/zinc/00/89/19/1096008919.db2.gz CBCGYKPHZFQHMD-MHABSNSOSA-N 2 2 321.415 3.069 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)cc2)[nH+]c1C ZINC001119376851 1096182229 /nfs/dbraw/zinc/18/22/29/1096182229.db2.gz DXXSDLZMBDTGNR-APWZRJJASA-N 2 2 324.428 3.164 20 0 DGADLP Fc1cccc(/C=C/C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001119450925 1096205182 /nfs/dbraw/zinc/20/51/82/1096205182.db2.gz PCIXTEWECHJQQK-DUXPYHPUSA-N 2 2 318.436 3.072 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000234931753 1096287692 /nfs/dbraw/zinc/28/76/92/1096287692.db2.gz XIEQNLRXHDBDFD-UHOFOFEASA-N 2 2 308.853 3.359 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171354101 1096526493 /nfs/dbraw/zinc/52/64/93/1096526493.db2.gz JVBWUXQVPHBQQO-CABCVRRESA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171354101 1096526500 /nfs/dbraw/zinc/52/65/00/1096526500.db2.gz JVBWUXQVPHBQQO-CABCVRRESA-N 2 2 306.400 3.039 20 0 DGADLP Cc1[nH+]cn([C@@H]2CCc3c(F)cccc3C2)c1CSCC[NH3+] ZINC001171405430 1096676593 /nfs/dbraw/zinc/67/65/93/1096676593.db2.gz UVNDNPQWSCNJBG-CQSZACIVSA-N 2 2 319.449 3.253 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277129101 1096693171 /nfs/dbraw/zinc/69/31/71/1096693171.db2.gz SYKSLTOOINBSTJ-LJQANCHMSA-N 2 2 320.452 3.451 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277129101 1096693173 /nfs/dbraw/zinc/69/31/73/1096693173.db2.gz SYKSLTOOINBSTJ-LJQANCHMSA-N 2 2 320.452 3.451 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001277129101 1096693175 /nfs/dbraw/zinc/69/31/75/1096693175.db2.gz SYKSLTOOINBSTJ-LJQANCHMSA-N 2 2 320.452 3.451 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277129101 1096693178 /nfs/dbraw/zinc/69/31/78/1096693178.db2.gz SYKSLTOOINBSTJ-LJQANCHMSA-N 2 2 320.452 3.451 20 0 DGADLP CC(C)C[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)n1cc[nH+]c1 ZINC001171409548 1096694569 /nfs/dbraw/zinc/69/45/69/1096694569.db2.gz OPLLRKNVHCFEMI-IRXDYDNUSA-N 2 2 322.497 3.143 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171418868 1096716059 /nfs/dbraw/zinc/71/60/59/1096716059.db2.gz MWIIFTHVWOMOER-QZTJIDSGSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171418868 1096716062 /nfs/dbraw/zinc/71/60/62/1096716062.db2.gz MWIIFTHVWOMOER-QZTJIDSGSA-N 2 2 310.416 3.069 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)C/C=C/Cl)cc2)C[C@H](C)O1 ZINC001171635699 1096947749 /nfs/dbraw/zinc/94/77/49/1096947749.db2.gz GJQMJJOVNFFBOO-CQTVFXNMSA-N 2 2 322.880 3.480 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)C/C=C/Cl)cc2)C[C@H](C)O1 ZINC001171635699 1096947753 /nfs/dbraw/zinc/94/77/53/1096947753.db2.gz GJQMJJOVNFFBOO-CQTVFXNMSA-N 2 2 322.880 3.480 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)C/C=C/Cl)cc2)C[C@H](C)O1 ZINC001171635699 1096947758 /nfs/dbraw/zinc/94/77/58/1096947758.db2.gz GJQMJJOVNFFBOO-CQTVFXNMSA-N 2 2 322.880 3.480 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970093 1097020177 /nfs/dbraw/zinc/02/01/77/1097020177.db2.gz YJTFRTDKJVHGLZ-LJQANCHMSA-N 3 2 317.521 3.489 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970093 1097020182 /nfs/dbraw/zinc/02/01/82/1097020182.db2.gz YJTFRTDKJVHGLZ-LJQANCHMSA-N 3 2 317.521 3.489 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970093 1097020186 /nfs/dbraw/zinc/02/01/86/1097020186.db2.gz YJTFRTDKJVHGLZ-LJQANCHMSA-N 3 2 317.521 3.489 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970093 1097020190 /nfs/dbraw/zinc/02/01/90/1097020190.db2.gz YJTFRTDKJVHGLZ-LJQANCHMSA-N 3 2 317.521 3.489 20 0 DGADLP C[C@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976691 1097024670 /nfs/dbraw/zinc/02/46/70/1097024670.db2.gz MMNRPAVHOKOTCQ-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976691 1097024676 /nfs/dbraw/zinc/02/46/76/1097024676.db2.gz MMNRPAVHOKOTCQ-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976691 1097024680 /nfs/dbraw/zinc/02/46/80/1097024680.db2.gz MMNRPAVHOKOTCQ-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976691 1097024685 /nfs/dbraw/zinc/02/46/85/1097024685.db2.gz MMNRPAVHOKOTCQ-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976689 1097026126 /nfs/dbraw/zinc/02/61/26/1097026126.db2.gz MMNRPAVHOKOTCQ-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976689 1097026129 /nfs/dbraw/zinc/02/61/29/1097026129.db2.gz MMNRPAVHOKOTCQ-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976689 1097026137 /nfs/dbraw/zinc/02/61/37/1097026137.db2.gz MMNRPAVHOKOTCQ-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976689 1097026142 /nfs/dbraw/zinc/02/61/42/1097026142.db2.gz MMNRPAVHOKOTCQ-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP Cc1ncncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171981013 1097026896 /nfs/dbraw/zinc/02/68/96/1097026896.db2.gz ZAJYGAWDKFSHNA-LJQANCHMSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1ncncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171981013 1097026900 /nfs/dbraw/zinc/02/69/00/1097026900.db2.gz ZAJYGAWDKFSHNA-LJQANCHMSA-N 2 2 324.472 3.318 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCOC3(CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171986943 1097029577 /nfs/dbraw/zinc/02/95/77/1097029577.db2.gz NHUHVNCAWYIFQE-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCOC3(CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171986943 1097029584 /nfs/dbraw/zinc/02/95/84/1097029584.db2.gz NHUHVNCAWYIFQE-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCOC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171986943 1097029590 /nfs/dbraw/zinc/02/95/90/1097029590.db2.gz NHUHVNCAWYIFQE-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCOC3(CC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171986943 1097029596 /nfs/dbraw/zinc/02/95/96/1097029596.db2.gz NHUHVNCAWYIFQE-SFHVURJKSA-N 2 2 314.473 3.294 20 0 DGADLP C[N@H+]([C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987843 1097029764 /nfs/dbraw/zinc/02/97/64/1097029764.db2.gz KOOKGENABYVLAV-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@@H+]([C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987843 1097029767 /nfs/dbraw/zinc/02/97/67/1097029767.db2.gz KOOKGENABYVLAV-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP C[NH+]([C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987843 1097029771 /nfs/dbraw/zinc/02/97/71/1097029771.db2.gz KOOKGENABYVLAV-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP C[NH+]([C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987843 1097029774 /nfs/dbraw/zinc/02/97/74/1097029774.db2.gz KOOKGENABYVLAV-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@H]1F ZINC001206155990 1097041280 /nfs/dbraw/zinc/04/12/80/1097041280.db2.gz ODLNBZKYFOXEBT-ZIAGYGMSSA-N 2 2 305.224 3.297 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)CC[C@H]1F ZINC001206155990 1097041282 /nfs/dbraw/zinc/04/12/82/1097041282.db2.gz ODLNBZKYFOXEBT-ZIAGYGMSSA-N 2 2 305.224 3.297 20 0 DGADLP Cc1ccn2cc(C[N@@H+](C)[C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)nc2c1 ZINC001172132037 1097050708 /nfs/dbraw/zinc/05/07/08/1097050708.db2.gz JLRZEXGCGZGUEM-PIIMJCKOSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[N@H+](C)[C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)nc2c1 ZINC001172132037 1097050713 /nfs/dbraw/zinc/05/07/13/1097050713.db2.gz JLRZEXGCGZGUEM-PIIMJCKOSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[NH+](C)[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)nc2c1 ZINC001172132037 1097050717 /nfs/dbraw/zinc/05/07/17/1097050717.db2.gz JLRZEXGCGZGUEM-PIIMJCKOSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[NH+](C)[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nc2c1 ZINC001172132037 1097050722 /nfs/dbraw/zinc/05/07/22/1097050722.db2.gz JLRZEXGCGZGUEM-PIIMJCKOSA-N 2 2 312.461 3.090 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnn1)C2 ZINC001172113833 1097061913 /nfs/dbraw/zinc/06/19/13/1097061913.db2.gz NATJGLXKTKCQMB-AJYBTWMASA-N 2 2 322.456 3.171 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnn1)C2 ZINC001172113833 1097061918 /nfs/dbraw/zinc/06/19/18/1097061918.db2.gz NATJGLXKTKCQMB-AJYBTWMASA-N 2 2 322.456 3.171 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120875 1097062920 /nfs/dbraw/zinc/06/29/20/1097062920.db2.gz GRMQLXUOAPQJHK-YSTOQKLRSA-N 3 2 319.537 3.342 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120875 1097062923 /nfs/dbraw/zinc/06/29/23/1097062923.db2.gz GRMQLXUOAPQJHK-YSTOQKLRSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120875 1097062927 /nfs/dbraw/zinc/06/29/27/1097062927.db2.gz GRMQLXUOAPQJHK-YSTOQKLRSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120875 1097062931 /nfs/dbraw/zinc/06/29/31/1097062931.db2.gz GRMQLXUOAPQJHK-YSTOQKLRSA-N 3 2 319.537 3.342 20 0 DGADLP c1ccc(C[NH+]2CC(C[NH2+][C@@H]3CSc4ccccc4C3)C2)cc1 ZINC001172182987 1097065955 /nfs/dbraw/zinc/06/59/55/1097065955.db2.gz ATTRUFJKBPHVNW-IBGZPJMESA-N 2 2 324.493 3.425 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC001172278926 1097088369 /nfs/dbraw/zinc/08/83/69/1097088369.db2.gz KEIQOCAFWCYAMA-KRWDZBQOSA-N 2 2 320.452 3.256 20 0 DGADLP Cc1[nH]c2ccc(O[C@@H]3CC[N@@H+]([C@H](C)c4ccccn4)C3)cc2[nH+]1 ZINC001228330528 1097099576 /nfs/dbraw/zinc/09/95/76/1097099576.db2.gz ZDIHBRJVRUMUCC-CZUORRHYSA-N 2 2 322.412 3.481 20 0 DGADLP Cc1[nH]c2ccc(O[C@@H]3CC[N@H+]([C@H](C)c4ccccn4)C3)cc2[nH+]1 ZINC001228330528 1097099580 /nfs/dbraw/zinc/09/95/80/1097099580.db2.gz ZDIHBRJVRUMUCC-CZUORRHYSA-N 2 2 322.412 3.481 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@@H]1C ZINC001172373164 1097110891 /nfs/dbraw/zinc/11/08/91/1097110891.db2.gz LEEOBDWIFYVKCE-GJNTUIEKSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@@H]1C ZINC001172373164 1097110896 /nfs/dbraw/zinc/11/08/96/1097110896.db2.gz LEEOBDWIFYVKCE-GJNTUIEKSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C[C@@H]1C ZINC001172373164 1097110901 /nfs/dbraw/zinc/11/09/01/1097110901.db2.gz LEEOBDWIFYVKCE-GJNTUIEKSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C[C@@H]1C ZINC001172373164 1097110906 /nfs/dbraw/zinc/11/09/06/1097110906.db2.gz LEEOBDWIFYVKCE-GJNTUIEKSA-N 2 2 313.489 3.270 20 0 DGADLP CCOCC[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172416327 1097134000 /nfs/dbraw/zinc/13/40/00/1097134000.db2.gz GTJGCFXODMXXKX-KRWDZBQOSA-N 2 2 304.478 3.398 20 0 DGADLP CCOCC[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172416327 1097134003 /nfs/dbraw/zinc/13/40/03/1097134003.db2.gz GTJGCFXODMXXKX-KRWDZBQOSA-N 2 2 304.478 3.398 20 0 DGADLP CC(C)COCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172457600 1097161263 /nfs/dbraw/zinc/16/12/63/1097161263.db2.gz BOLMVADPMLSAEU-MRXNPFEDSA-N 2 2 305.466 3.091 20 0 DGADLP Cc1[nH+]cn(C2CC(C)(C)OC(C)(C)C2)c1CSCC[NH3+] ZINC001172645890 1097201523 /nfs/dbraw/zinc/20/15/23/1097201523.db2.gz BFZQCNOEMJDBJJ-UHFFFAOYSA-N 2 2 311.495 3.292 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173190 1097210977 /nfs/dbraw/zinc/21/09/77/1097210977.db2.gz FXRPKILCZGQPKD-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173190 1097210981 /nfs/dbraw/zinc/21/09/81/1097210981.db2.gz FXRPKILCZGQPKD-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1F ZINC001206185442 1097307675 /nfs/dbraw/zinc/30/76/75/1097307675.db2.gz NUYJDJKUJNDCQV-KGLIPLIRSA-N 2 2 305.422 3.071 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1F ZINC001206185442 1097307680 /nfs/dbraw/zinc/30/76/80/1097307680.db2.gz NUYJDJKUJNDCQV-KGLIPLIRSA-N 2 2 305.422 3.071 20 0 DGADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197150 1097359416 /nfs/dbraw/zinc/35/94/16/1097359416.db2.gz CQICBLHQGHIOIO-HFCFLWKCSA-N 2 2 302.462 3.449 20 0 DGADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197150 1097359419 /nfs/dbraw/zinc/35/94/19/1097359419.db2.gz CQICBLHQGHIOIO-HFCFLWKCSA-N 2 2 302.462 3.449 20 0 DGADLP c1ccc2c(Nc3cccc(C[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC001174038484 1097597269 /nfs/dbraw/zinc/59/72/69/1097597269.db2.gz NEIZMXXQGVMGNJ-UHFFFAOYSA-N 2 2 319.408 3.233 20 0 DGADLP Nc1cccc2[nH+]cn(C3=CCC[N@H+](Cc4ccccc4)C3)c21 ZINC001174397353 1097691864 /nfs/dbraw/zinc/69/18/64/1097691864.db2.gz VHQFSDXLOLZNQF-UHFFFAOYSA-N 2 2 304.397 3.365 20 0 DGADLP Nc1cccc2[nH+]cn(C3=CCC[N@@H+](Cc4ccccc4)C3)c21 ZINC001174397353 1097691868 /nfs/dbraw/zinc/69/18/68/1097691868.db2.gz VHQFSDXLOLZNQF-UHFFFAOYSA-N 2 2 304.397 3.365 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc3cc[nH]c3cn2)C2CCCC2)CC1 ZINC001231671763 1097812082 /nfs/dbraw/zinc/81/20/82/1097812082.db2.gz VNUMSUGJDLJXCH-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc3cc[nH]c3cn2)C2CCCC2)CC1 ZINC001231671763 1097812090 /nfs/dbraw/zinc/81/20/90/1097812090.db2.gz VNUMSUGJDLJXCH-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CCOc1ncccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231765299 1097834946 /nfs/dbraw/zinc/83/49/46/1097834946.db2.gz RHCNVHXAINQSOK-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1ncccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231765299 1097834949 /nfs/dbraw/zinc/83/49/49/1097834949.db2.gz RHCNVHXAINQSOK-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894169 1097881818 /nfs/dbraw/zinc/88/18/18/1097881818.db2.gz ROLZYEXCINGNBW-CQSZACIVSA-N 2 2 319.355 3.376 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894169 1097881822 /nfs/dbraw/zinc/88/18/22/1097881822.db2.gz ROLZYEXCINGNBW-CQSZACIVSA-N 2 2 319.355 3.376 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c[nH]nc21 ZINC001231975344 1097904932 /nfs/dbraw/zinc/90/49/32/1097904932.db2.gz LTGKWXOZVNECCX-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c[nH]nc21 ZINC001231975344 1097904935 /nfs/dbraw/zinc/90/49/35/1097904935.db2.gz LTGKWXOZVNECCX-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)n1 ZINC001232076047 1097932253 /nfs/dbraw/zinc/93/22/53/1097932253.db2.gz WMNMMRRIBMKESN-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)n1 ZINC001232076047 1097932257 /nfs/dbraw/zinc/93/22/57/1097932257.db2.gz WMNMMRRIBMKESN-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCCC[N@H+](CC(=O)OCC)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232150138 1097951871 /nfs/dbraw/zinc/95/18/71/1097951871.db2.gz TYRQJAGDAWZTGK-UHFFFAOYSA-N 2 2 324.440 3.053 20 0 DGADLP CCCC[N@@H+](CC(=O)OCC)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232150138 1097951877 /nfs/dbraw/zinc/95/18/77/1097951877.db2.gz TYRQJAGDAWZTGK-UHFFFAOYSA-N 2 2 324.440 3.053 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC001277625605 1097959169 /nfs/dbraw/zinc/95/91/69/1097959169.db2.gz ZAVIIKJSJGHHCU-YSIASYRMSA-N 2 2 321.553 3.446 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC001277625605 1097959175 /nfs/dbraw/zinc/95/91/75/1097959175.db2.gz ZAVIIKJSJGHHCU-YSIASYRMSA-N 2 2 321.553 3.446 20 0 DGADLP CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC001277625605 1097959177 /nfs/dbraw/zinc/95/91/77/1097959177.db2.gz ZAVIIKJSJGHHCU-YSIASYRMSA-N 2 2 321.553 3.446 20 0 DGADLP CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC001277625605 1097959182 /nfs/dbraw/zinc/95/91/82/1097959182.db2.gz ZAVIIKJSJGHHCU-YSIASYRMSA-N 2 2 321.553 3.446 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)OCc2ccc(Cl)cc23)c[nH+]1 ZINC001232465170 1098045779 /nfs/dbraw/zinc/04/57/79/1098045779.db2.gz XFBIAXBDJPBDOX-UHFFFAOYSA-N 2 2 317.820 3.393 20 0 DGADLP c1cc(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c2c(c1)CCCC2 ZINC001232634956 1098103982 /nfs/dbraw/zinc/10/39/82/1098103982.db2.gz ATZFQHZCSANELU-UHFFFAOYSA-N 2 2 310.485 3.483 20 0 DGADLP c1cc(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c2c(c1)CCCC2 ZINC001232634956 1098103985 /nfs/dbraw/zinc/10/39/85/1098103985.db2.gz ATZFQHZCSANELU-UHFFFAOYSA-N 2 2 310.485 3.483 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232824863 1098144999 /nfs/dbraw/zinc/14/49/99/1098144999.db2.gz QKDNMGJPJIPTIO-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232824863 1098145003 /nfs/dbraw/zinc/14/50/03/1098145003.db2.gz QKDNMGJPJIPTIO-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP Cc1ncc(F)cc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232989691 1098194394 /nfs/dbraw/zinc/19/43/94/1098194394.db2.gz UWJJIXJOFCDYGW-SFHVURJKSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1ncc(F)cc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232989691 1098194397 /nfs/dbraw/zinc/19/43/97/1098194397.db2.gz UWJJIXJOFCDYGW-SFHVURJKSA-N 2 2 305.441 3.370 20 0 DGADLP C[C@H](C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982609 1098218797 /nfs/dbraw/zinc/21/87/97/1098218797.db2.gz ILIKCXXVIFFRDI-AEFFLSMTSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@H](C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982609 1098218799 /nfs/dbraw/zinc/21/87/99/1098218799.db2.gz ILIKCXXVIFFRDI-AEFFLSMTSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@H](C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982609 1098218802 /nfs/dbraw/zinc/21/88/02/1098218802.db2.gz ILIKCXXVIFFRDI-AEFFLSMTSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@H](C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982609 1098218805 /nfs/dbraw/zinc/21/88/05/1098218805.db2.gz ILIKCXXVIFFRDI-AEFFLSMTSA-N 2 2 306.494 3.093 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3csc(C(F)(F)F)c3)C2)CC1 ZINC001233177313 1098246676 /nfs/dbraw/zinc/24/66/76/1098246676.db2.gz KAPHCYPYMAQQIB-UHFFFAOYSA-N 2 2 304.381 3.295 20 0 DGADLP COCC[N@H+](Cc1cc(Cl)ccc1C)C1CC[NH+](C)CC1 ZINC001233250144 1098264473 /nfs/dbraw/zinc/26/44/73/1098264473.db2.gz XGGZYJYNCWOQSJ-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP COCC[N@@H+](Cc1cc(Cl)ccc1C)C1CC[NH+](C)CC1 ZINC001233250144 1098264478 /nfs/dbraw/zinc/26/44/78/1098264478.db2.gz XGGZYJYNCWOQSJ-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP COc1cc[nH+]cc1Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001176120778 1098265332 /nfs/dbraw/zinc/26/53/32/1098265332.db2.gz LHAAVTZAULCQPI-UHFFFAOYSA-N 2 2 313.401 3.308 20 0 DGADLP COc1c(O)cccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233256500 1098265860 /nfs/dbraw/zinc/26/58/60/1098265860.db2.gz GDXBBEIACKVNTH-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP COc1c(O)cccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233256500 1098265865 /nfs/dbraw/zinc/26/58/65/1098265865.db2.gz GDXBBEIACKVNTH-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001233318410 1098286935 /nfs/dbraw/zinc/28/69/35/1098286935.db2.gz BSRIXOZFSOGKCE-ZIAGYGMSSA-N 2 2 319.499 3.077 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c(Cl)cccc3SC)C[C@@H]2C1 ZINC001233353479 1098300927 /nfs/dbraw/zinc/30/09/27/1098300927.db2.gz XJCTVTXGFHJULA-STQMWFEESA-N 2 2 310.894 3.445 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2cccc(Cl)n12 ZINC001233359941 1098301828 /nfs/dbraw/zinc/30/18/28/1098301828.db2.gz QVELHBWMQKBWTB-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2cccc(Cl)n12 ZINC001233359941 1098301836 /nfs/dbraw/zinc/30/18/36/1098301836.db2.gz QVELHBWMQKBWTB-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)n1 ZINC001176978549 1098459390 /nfs/dbraw/zinc/45/93/90/1098459390.db2.gz UGOZJYKNSHAKBQ-UHFFFAOYSA-N 2 2 315.465 3.357 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001176985434 1098460240 /nfs/dbraw/zinc/46/02/40/1098460240.db2.gz SCAPXJIGENMROQ-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001176985434 1098460242 /nfs/dbraw/zinc/46/02/42/1098460242.db2.gz SCAPXJIGENMROQ-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP COc1cc(C[NH+]2CCC(CF)CC2)ccc1-n1cc[nH+]c1 ZINC001234065473 1098489443 /nfs/dbraw/zinc/48/94/43/1098489443.db2.gz AUPXHDOZIMGEOR-UHFFFAOYSA-N 2 2 303.381 3.062 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)Cc1ccccn1 ZINC001234076180 1098490842 /nfs/dbraw/zinc/49/08/42/1098490842.db2.gz RTLMBRXBQVXIEY-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)Cc1ccccn1 ZINC001234076180 1098490843 /nfs/dbraw/zinc/49/08/43/1098490843.db2.gz RTLMBRXBQVXIEY-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CC[C@H]1C[C@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001177222763 1098496751 /nfs/dbraw/zinc/49/67/51/1098496751.db2.gz OMDLWAFLMQQXMS-MJGOQNOKSA-N 2 2 313.445 3.226 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001177222762 1098496837 /nfs/dbraw/zinc/49/68/37/1098496837.db2.gz OMDLWAFLMQQXMS-IEBWSBKVSA-N 2 2 313.445 3.226 20 0 DGADLP CC[N@H+](Cc1ccc(OC)cc1OC(C)C)C1CC[NH+](C)CC1 ZINC001234713910 1098652356 /nfs/dbraw/zinc/65/23/56/1098652356.db2.gz BQMIXXSVHDNVFT-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[N@@H+](Cc1ccc(OC)cc1OC(C)C)C1CC[NH+](C)CC1 ZINC001234713910 1098652361 /nfs/dbraw/zinc/65/23/61/1098652361.db2.gz BQMIXXSVHDNVFT-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC001177936250 1098661600 /nfs/dbraw/zinc/66/16/00/1098661600.db2.gz DPIRHFXRFMSXKR-UHFFFAOYSA-N 2 2 315.465 3.242 20 0 DGADLP CCSCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277913670 1098734110 /nfs/dbraw/zinc/73/41/10/1098734110.db2.gz JXEKGGVNUMWBCS-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP CCSCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277913670 1098734122 /nfs/dbraw/zinc/73/41/22/1098734122.db2.gz JXEKGGVNUMWBCS-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP CCSCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277913670 1098734133 /nfs/dbraw/zinc/73/41/33/1098734133.db2.gz JXEKGGVNUMWBCS-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP CCSCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277913670 1098734144 /nfs/dbraw/zinc/73/41/44/1098734144.db2.gz JXEKGGVNUMWBCS-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992878 1098739465 /nfs/dbraw/zinc/73/94/65/1098739465.db2.gz MVWLWQVAXWYJHY-LJQANCHMSA-N 2 2 313.420 3.192 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992878 1098739471 /nfs/dbraw/zinc/73/94/71/1098739471.db2.gz MVWLWQVAXWYJHY-LJQANCHMSA-N 2 2 313.420 3.192 20 0 DGADLP COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037644 1098766515 /nfs/dbraw/zinc/76/65/15/1098766515.db2.gz GKEYOHCSFXHUNI-SFHVURJKSA-N 2 2 306.425 3.251 20 0 DGADLP COc1cc(C)cc(F)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037644 1098766525 /nfs/dbraw/zinc/76/65/25/1098766525.db2.gz GKEYOHCSFXHUNI-SFHVURJKSA-N 2 2 306.425 3.251 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235115895 1098815664 /nfs/dbraw/zinc/81/56/64/1098815664.db2.gz SKUBEGBNFZLWSX-LJQANCHMSA-N 2 2 302.462 3.419 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235115895 1098815666 /nfs/dbraw/zinc/81/56/66/1098815666.db2.gz SKUBEGBNFZLWSX-LJQANCHMSA-N 2 2 302.462 3.419 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235118509 1098819531 /nfs/dbraw/zinc/81/95/31/1098819531.db2.gz OELMNHWQKOKLIA-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235118509 1098819545 /nfs/dbraw/zinc/81/95/45/1098819545.db2.gz OELMNHWQKOKLIA-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)s2)cc1 ZINC001235157312 1098844643 /nfs/dbraw/zinc/84/46/43/1098844643.db2.gz CQVLIBHXDCSIDX-KBXCAEBGSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)s2)cc1 ZINC001235157312 1098844654 /nfs/dbraw/zinc/84/46/54/1098844654.db2.gz CQVLIBHXDCSIDX-KBXCAEBGSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1Cl ZINC001235191768 1098867384 /nfs/dbraw/zinc/86/73/84/1098867384.db2.gz YSWJPFDTKCZSAG-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1Cl ZINC001235191768 1098867389 /nfs/dbraw/zinc/86/73/89/1098867389.db2.gz YSWJPFDTKCZSAG-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP Brc1cccc(CCC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235209874 1098878442 /nfs/dbraw/zinc/87/84/42/1098878442.db2.gz SHVXEFNXVHMCIA-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CCC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235209874 1098878452 /nfs/dbraw/zinc/87/84/52/1098878452.db2.gz SHVXEFNXVHMCIA-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235228954 1098902631 /nfs/dbraw/zinc/90/26/31/1098902631.db2.gz BBFHKZVHKSAKMH-HOTGVXAUSA-N 2 2 310.363 3.148 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235228954 1098902636 /nfs/dbraw/zinc/90/26/36/1098902636.db2.gz BBFHKZVHKSAKMH-HOTGVXAUSA-N 2 2 310.363 3.148 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)ccc21 ZINC001235257918 1098929642 /nfs/dbraw/zinc/92/96/42/1098929642.db2.gz JUWPQDYRFSROCL-YJBOKZPZSA-N 2 2 305.425 3.125 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)ccc21 ZINC001235257918 1098929643 /nfs/dbraw/zinc/92/96/43/1098929643.db2.gz JUWPQDYRFSROCL-YJBOKZPZSA-N 2 2 305.425 3.125 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235276510 1098942714 /nfs/dbraw/zinc/94/27/14/1098942714.db2.gz ZEEAOXOLNWPMIZ-GXTWGEPZSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235276510 1098942717 /nfs/dbraw/zinc/94/27/17/1098942717.db2.gz ZEEAOXOLNWPMIZ-GXTWGEPZSA-N 2 2 316.392 3.482 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)c2c(OC)cccc12 ZINC001235343314 1098967046 /nfs/dbraw/zinc/96/70/46/1098967046.db2.gz UFVPHYBJKJVMOR-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c2c(OC)cccc12 ZINC001235343314 1098967054 /nfs/dbraw/zinc/96/70/54/1098967054.db2.gz UFVPHYBJKJVMOR-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP C[N@H+](Cc1c[nH]c2cc(Br)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001235347147 1098970556 /nfs/dbraw/zinc/97/05/56/1098970556.db2.gz MYRNLSFUXDXNIC-CYBMUJFWSA-N 2 2 322.250 3.114 20 0 DGADLP C[N@@H+](Cc1c[nH]c2cc(Br)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001235347147 1098970566 /nfs/dbraw/zinc/97/05/66/1098970566.db2.gz MYRNLSFUXDXNIC-CYBMUJFWSA-N 2 2 322.250 3.114 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235465993 1099051149 /nfs/dbraw/zinc/05/11/49/1099051149.db2.gz NAKNUKQSZDCTPN-UHFFFAOYSA-N 2 2 322.758 3.422 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235465993 1099051162 /nfs/dbraw/zinc/05/11/62/1099051162.db2.gz NAKNUKQSZDCTPN-UHFFFAOYSA-N 2 2 322.758 3.422 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@@H+](C[C@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529881 1099077924 /nfs/dbraw/zinc/07/79/24/1099077924.db2.gz CLHJYUVVCMHNOA-ZCNNSNEGSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](C[C@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529881 1099077938 /nfs/dbraw/zinc/07/79/38/1099077938.db2.gz CLHJYUVVCMHNOA-ZCNNSNEGSA-N 2 2 314.473 3.167 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2[nH]nc3ccccc32)c2ccccc2)c[nH+]1 ZINC001179437335 1099093981 /nfs/dbraw/zinc/09/39/81/1099093981.db2.gz DNYBVKGQZJAAFA-IBGZPJMESA-N 2 2 317.396 3.291 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620093 1099099820 /nfs/dbraw/zinc/09/98/20/1099099820.db2.gz BVEYXJKETANGII-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620093 1099099832 /nfs/dbraw/zinc/09/98/32/1099099832.db2.gz BVEYXJKETANGII-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620093 1099099845 /nfs/dbraw/zinc/09/98/45/1099099845.db2.gz BVEYXJKETANGII-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-c3ccncc3)C[C@@H]21 ZINC001235620093 1099099858 /nfs/dbraw/zinc/09/98/58/1099099858.db2.gz BVEYXJKETANGII-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001235637897 1099104474 /nfs/dbraw/zinc/10/44/74/1099104474.db2.gz LMTZUIBYKBXYKI-KPFFTGBYSA-N 2 2 313.489 3.073 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001235637897 1099104482 /nfs/dbraw/zinc/10/44/82/1099104482.db2.gz LMTZUIBYKBXYKI-KPFFTGBYSA-N 2 2 313.489 3.073 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1F)C1CC[NH2+]CC1 ZINC001235762973 1099170987 /nfs/dbraw/zinc/17/09/87/1099170987.db2.gz YDSFPKBPXWKJKF-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705961 1099179394 /nfs/dbraw/zinc/17/93/94/1099179394.db2.gz QCDBTEWYISWBSR-DLBZAZTESA-N 2 2 322.497 3.147 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2cc(C)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001235809155 1099189086 /nfs/dbraw/zinc/18/90/86/1099189086.db2.gz XLQYJOKTXKLRSO-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2cc(C)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001235809155 1099189088 /nfs/dbraw/zinc/18/90/88/1099189088.db2.gz XLQYJOKTXKLRSO-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP C[N@@H+](Cc1c(Cl)cccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235841654 1099204191 /nfs/dbraw/zinc/20/41/91/1099204191.db2.gz GXFXIMMXWKTDFT-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP C[N@H+](Cc1c(Cl)cccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235841654 1099204198 /nfs/dbraw/zinc/20/41/98/1099204198.db2.gz GXFXIMMXWKTDFT-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC(C(C)C)C(C)C)CC2)c1 ZINC001180001791 1099270365 /nfs/dbraw/zinc/27/03/65/1099270365.db2.gz DEBSFNUQUPUCPR-UHFFFAOYSA-N 2 2 305.466 3.140 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C)c1Br ZINC001235941238 1099277323 /nfs/dbraw/zinc/27/73/23/1099277323.db2.gz VDVRPTMYSJHEKO-GJZGRUSLSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C)c1Br ZINC001235941238 1099277332 /nfs/dbraw/zinc/27/73/32/1099277332.db2.gz VDVRPTMYSJHEKO-GJZGRUSLSA-N 2 2 323.278 3.107 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)CO1 ZINC001235949736 1099284405 /nfs/dbraw/zinc/28/44/05/1099284405.db2.gz HARRMCVFBHXRJD-HOCLYGCPSA-N 2 2 308.853 3.244 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CO1 ZINC001235949736 1099284411 /nfs/dbraw/zinc/28/44/11/1099284411.db2.gz HARRMCVFBHXRJD-HOCLYGCPSA-N 2 2 308.853 3.244 20 0 DGADLP C[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235956459 1099287018 /nfs/dbraw/zinc/28/70/18/1099287018.db2.gz DPFYGXWVXGNSRI-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235956459 1099287026 /nfs/dbraw/zinc/28/70/26/1099287026.db2.gz DPFYGXWVXGNSRI-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963859 1099296503 /nfs/dbraw/zinc/29/65/03/1099296503.db2.gz WTYROOADEUVEND-LPHOPBHVSA-N 2 2 319.493 3.355 20 0 DGADLP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963859 1099296510 /nfs/dbraw/zinc/29/65/10/1099296510.db2.gz WTYROOADEUVEND-LPHOPBHVSA-N 2 2 319.493 3.355 20 0 DGADLP CC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCC[NH2+]C1 ZINC001236005851 1099327683 /nfs/dbraw/zinc/32/76/83/1099327683.db2.gz FVMQJWYDFQWZMA-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP CC[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCC[NH2+]C1 ZINC001236005851 1099327695 /nfs/dbraw/zinc/32/76/95/1099327695.db2.gz FVMQJWYDFQWZMA-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP Clc1csc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236010394 1099332553 /nfs/dbraw/zinc/33/25/53/1099332553.db2.gz VBSIEABCVLLIDW-PBHICJAKSA-N 2 2 318.873 3.375 20 0 DGADLP Clc1csc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236010394 1099332568 /nfs/dbraw/zinc/33/25/68/1099332568.db2.gz VBSIEABCVLLIDW-PBHICJAKSA-N 2 2 318.873 3.375 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001236009507 1099332603 /nfs/dbraw/zinc/33/26/03/1099332603.db2.gz ZJHRFLUZQDZEBD-CQSZACIVSA-N 2 2 316.367 3.468 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001236009507 1099332615 /nfs/dbraw/zinc/33/26/15/1099332615.db2.gz ZJHRFLUZQDZEBD-CQSZACIVSA-N 2 2 316.367 3.468 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001180317605 1099368647 /nfs/dbraw/zinc/36/86/47/1099368647.db2.gz KCMRTIOGZSYMOZ-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001180317605 1099368658 /nfs/dbraw/zinc/36/86/58/1099368658.db2.gz KCMRTIOGZSYMOZ-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccccc3F)cc2)C[C@@H]1[NH3+] ZINC001236092783 1099380244 /nfs/dbraw/zinc/38/02/44/1099380244.db2.gz CVOFEFHANBLPKL-KDOFPFPSSA-N 2 2 313.420 3.373 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3F)cc2)C[C@@H]1[NH3+] ZINC001236092783 1099380255 /nfs/dbraw/zinc/38/02/55/1099380255.db2.gz CVOFEFHANBLPKL-KDOFPFPSSA-N 2 2 313.420 3.373 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc(OC(F)(F)F)c1 ZINC001236094321 1099384399 /nfs/dbraw/zinc/38/43/99/1099384399.db2.gz BBXFNDLFLPXUFL-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc(OC(F)(F)F)c1 ZINC001236094321 1099384407 /nfs/dbraw/zinc/38/44/07/1099384407.db2.gz BBXFNDLFLPXUFL-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CCC[NH2+]1 ZINC001236100444 1099388177 /nfs/dbraw/zinc/38/81/77/1099388177.db2.gz IOBYOGOWRUQOOC-NSHDSACASA-N 2 2 304.381 3.482 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CCC[NH2+]1 ZINC001236100444 1099388190 /nfs/dbraw/zinc/38/81/90/1099388190.db2.gz IOBYOGOWRUQOOC-NSHDSACASA-N 2 2 304.381 3.482 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001236173701 1099445261 /nfs/dbraw/zinc/44/52/61/1099445261.db2.gz PACMVGVHROCOEP-CQSZACIVSA-N 2 2 305.784 3.074 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001236173701 1099445269 /nfs/dbraw/zinc/44/52/69/1099445269.db2.gz PACMVGVHROCOEP-CQSZACIVSA-N 2 2 305.784 3.074 20 0 DGADLP CCC[N@H+](Cc1c(F)cccc1OC(F)F)C1CC[NH2+]CC1 ZINC001236182243 1099452258 /nfs/dbraw/zinc/45/22/58/1099452258.db2.gz IDBUWRMDJCXLPD-UHFFFAOYSA-N 2 2 316.367 3.391 20 0 DGADLP CCC[N@@H+](Cc1c(F)cccc1OC(F)F)C1CC[NH2+]CC1 ZINC001236182243 1099452267 /nfs/dbraw/zinc/45/22/67/1099452267.db2.gz IDBUWRMDJCXLPD-UHFFFAOYSA-N 2 2 316.367 3.391 20 0 DGADLP Fc1cccc(F)c1[C@@H]1CCC[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001236189000 1099457089 /nfs/dbraw/zinc/45/70/89/1099457089.db2.gz HLMKVGYDFCIUFZ-KRWDZBQOSA-N 2 2 317.383 3.207 20 0 DGADLP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001236189000 1099457093 /nfs/dbraw/zinc/45/70/93/1099457093.db2.gz HLMKVGYDFCIUFZ-KRWDZBQOSA-N 2 2 317.383 3.207 20 0 DGADLP COc1ccc2sc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)cc2c1 ZINC001236204530 1099459904 /nfs/dbraw/zinc/45/99/04/1099459904.db2.gz BATANULRAYCNNU-KRWDZBQOSA-N 2 2 304.459 3.484 20 0 DGADLP COc1ccc2sc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)cc2c1 ZINC001236204530 1099459910 /nfs/dbraw/zinc/45/99/10/1099459910.db2.gz BATANULRAYCNNU-KRWDZBQOSA-N 2 2 304.459 3.484 20 0 DGADLP C[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207477 1099463768 /nfs/dbraw/zinc/46/37/68/1099463768.db2.gz QSOFZZZYDVQSFL-GOSISDBHSA-N 2 2 301.409 3.395 20 0 DGADLP C[N@@H+](Cc1c[nH]c(-c2ccccc2F)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207477 1099463775 /nfs/dbraw/zinc/46/37/75/1099463775.db2.gz QSOFZZZYDVQSFL-GOSISDBHSA-N 2 2 301.409 3.395 20 0 DGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1C(F)(F)F ZINC001236219120 1099476289 /nfs/dbraw/zinc/47/62/89/1099476289.db2.gz UPSYUSZTOJDSTO-KGLIPLIRSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1C(F)(F)F ZINC001236219120 1099476294 /nfs/dbraw/zinc/47/62/94/1099476294.db2.gz UPSYUSZTOJDSTO-KGLIPLIRSA-N 2 2 316.367 3.416 20 0 DGADLP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1OCC ZINC001236219834 1099477265 /nfs/dbraw/zinc/47/72/65/1099477265.db2.gz XXIUMLMDCPGRKZ-HZPDHXFCSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1OCC ZINC001236219834 1099477270 /nfs/dbraw/zinc/47/72/70/1099477270.db2.gz XXIUMLMDCPGRKZ-HZPDHXFCSA-N 2 2 306.450 3.186 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(Br)c1 ZINC001236225678 1099484387 /nfs/dbraw/zinc/48/43/87/1099484387.db2.gz BEHMKVYAEHNBID-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(Br)c1 ZINC001236225678 1099484391 /nfs/dbraw/zinc/48/43/91/1099484391.db2.gz BEHMKVYAEHNBID-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP CCc1cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236238433 1099491302 /nfs/dbraw/zinc/49/13/02/1099491302.db2.gz FEYKOQVAMNFAJX-GOSISDBHSA-N 2 2 302.462 3.233 20 0 DGADLP CCc1cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236238433 1099491308 /nfs/dbraw/zinc/49/13/08/1099491308.db2.gz FEYKOQVAMNFAJX-GOSISDBHSA-N 2 2 302.462 3.233 20 0 DGADLP Cc1cc(C[NH+]2CCC[NH2+]CCC2)c(C)cc1Br ZINC001236241004 1099494818 /nfs/dbraw/zinc/49/48/18/1099494818.db2.gz PDWFWVISGGVFPJ-UHFFFAOYSA-N 2 2 311.267 3.251 20 0 DGADLP [NH3+]Cc1cccc(-c2cccc(Cl)c2C[NH+]2CCOCC2)c1 ZINC001236268950 1099510388 /nfs/dbraw/zinc/51/03/88/1099510388.db2.gz WURNHBUZMQRMHO-UHFFFAOYSA-N 2 2 316.832 3.298 20 0 DGADLP CCCCc1ncc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236376313 1099565444 /nfs/dbraw/zinc/56/54/44/1099565444.db2.gz QSEYYYBYNPXJHF-INIZCTEOSA-N 2 2 318.509 3.497 20 0 DGADLP CCCCc1ncc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236376313 1099565454 /nfs/dbraw/zinc/56/54/54/1099565454.db2.gz QSEYYYBYNPXJHF-INIZCTEOSA-N 2 2 318.509 3.497 20 0 DGADLP CCCCc1nc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c[nH]1 ZINC001236376313 1099565460 /nfs/dbraw/zinc/56/54/60/1099565460.db2.gz QSEYYYBYNPXJHF-INIZCTEOSA-N 2 2 318.509 3.497 20 0 DGADLP CCCCc1nc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c[nH]1 ZINC001236376313 1099565468 /nfs/dbraw/zinc/56/54/68/1099565468.db2.gz QSEYYYBYNPXJHF-INIZCTEOSA-N 2 2 318.509 3.497 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236409381 1099581073 /nfs/dbraw/zinc/58/10/73/1099581073.db2.gz UESDCHAYYPSBNV-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236409381 1099581087 /nfs/dbraw/zinc/58/10/87/1099581087.db2.gz UESDCHAYYPSBNV-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@@H+](Cc1c(F)cccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236407457 1099582125 /nfs/dbraw/zinc/58/21/25/1099582125.db2.gz FUHBKWASKQYOAE-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1c(F)cccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236407457 1099582134 /nfs/dbraw/zinc/58/21/34/1099582134.db2.gz FUHBKWASKQYOAE-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP COc1cccc([C@@H]2CC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236411552 1099586066 /nfs/dbraw/zinc/58/60/66/1099586066.db2.gz NKRXQSRXKVQXPU-RTBURBONSA-N 2 2 310.441 3.055 20 0 DGADLP COc1cccc([C@@H]2CC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236411552 1099586077 /nfs/dbraw/zinc/58/60/77/1099586077.db2.gz NKRXQSRXKVQXPU-RTBURBONSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@](F)(C[NH3+])C3)s2)cc1 ZINC001236435647 1099610211 /nfs/dbraw/zinc/61/02/11/1099610211.db2.gz UQDGNPPMFDANFK-KRWDZBQOSA-N 2 2 320.433 3.296 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@](F)(C[NH3+])C3)s2)cc1 ZINC001236435647 1099610225 /nfs/dbraw/zinc/61/02/25/1099610225.db2.gz UQDGNPPMFDANFK-KRWDZBQOSA-N 2 2 320.433 3.296 20 0 DGADLP CC(C)[N@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC001236471160 1099631598 /nfs/dbraw/zinc/63/15/98/1099631598.db2.gz WSHSDDOOOOULJX-OAHLLOKOSA-N 2 2 301.409 3.336 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC001236471160 1099631602 /nfs/dbraw/zinc/63/16/02/1099631602.db2.gz WSHSDDOOOOULJX-OAHLLOKOSA-N 2 2 301.409 3.336 20 0 DGADLP CC(C)[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236527142 1099662168 /nfs/dbraw/zinc/66/21/68/1099662168.db2.gz HQLRVIXVQJWCGU-OAHLLOKOSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236527142 1099662173 /nfs/dbraw/zinc/66/21/73/1099662173.db2.gz HQLRVIXVQJWCGU-OAHLLOKOSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236530511 1099665938 /nfs/dbraw/zinc/66/59/38/1099665938.db2.gz QVAQSKFKRHWZMQ-QGZVFWFLSA-N 2 2 302.462 3.363 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236530511 1099665939 /nfs/dbraw/zinc/66/59/39/1099665939.db2.gz QVAQSKFKRHWZMQ-QGZVFWFLSA-N 2 2 302.462 3.363 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)n1 ZINC001236597333 1099693949 /nfs/dbraw/zinc/69/39/49/1099693949.db2.gz CGGXLNJZWBAOEU-HNNXBMFYSA-N 2 2 317.477 3.223 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)n1 ZINC001236597333 1099693953 /nfs/dbraw/zinc/69/39/53/1099693953.db2.gz CGGXLNJZWBAOEU-HNNXBMFYSA-N 2 2 317.477 3.223 20 0 DGADLP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599092 1099695469 /nfs/dbraw/zinc/69/54/69/1099695469.db2.gz PMONATBZQDXIEE-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599092 1099695474 /nfs/dbraw/zinc/69/54/74/1099695474.db2.gz PMONATBZQDXIEE-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236835323 1099819630 /nfs/dbraw/zinc/81/96/30/1099819630.db2.gz LDTXYHWDCXCWQT-CYBMUJFWSA-N 2 2 312.404 3.185 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236835323 1099819640 /nfs/dbraw/zinc/81/96/40/1099819640.db2.gz LDTXYHWDCXCWQT-CYBMUJFWSA-N 2 2 312.404 3.185 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cn(C)c2ccc(Br)cc12 ZINC001236869777 1099842692 /nfs/dbraw/zinc/84/26/92/1099842692.db2.gz YIYHJYFOHROXCQ-ZDUSSCGKSA-N 2 2 324.266 3.110 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cn(C)c2ccc(Br)cc12 ZINC001236869777 1099842699 /nfs/dbraw/zinc/84/26/99/1099842699.db2.gz YIYHJYFOHROXCQ-ZDUSSCGKSA-N 2 2 324.266 3.110 20 0 DGADLP COc1ccc(N(C)c2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC001236895093 1099857600 /nfs/dbraw/zinc/85/76/00/1099857600.db2.gz LCVLTFRTMFFFCC-HNNXBMFYSA-N 2 2 313.445 3.242 20 0 DGADLP COc1ccc(N(C)c2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC001236895093 1099857603 /nfs/dbraw/zinc/85/76/03/1099857603.db2.gz LCVLTFRTMFFFCC-HNNXBMFYSA-N 2 2 313.445 3.242 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@]1(C)O ZINC001236901844 1099862453 /nfs/dbraw/zinc/86/24/53/1099862453.db2.gz AZTZWRWXEXCQIH-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001236904983 1099867672 /nfs/dbraw/zinc/86/76/72/1099867672.db2.gz XFOQUECVCRPARO-NSHDSACASA-N 2 2 307.800 3.320 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001236904983 1099867683 /nfs/dbraw/zinc/86/76/83/1099867683.db2.gz XFOQUECVCRPARO-NSHDSACASA-N 2 2 307.800 3.320 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC(C)(C)O ZINC001236910094 1099868133 /nfs/dbraw/zinc/86/81/33/1099868133.db2.gz CBKYXXMOZQNARF-UHFFFAOYSA-N 2 2 307.825 3.119 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC(C)(C)O ZINC001236910094 1099868141 /nfs/dbraw/zinc/86/81/41/1099868141.db2.gz CBKYXXMOZQNARF-UHFFFAOYSA-N 2 2 307.825 3.119 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001236909747 1099870519 /nfs/dbraw/zinc/87/05/19/1099870519.db2.gz XIKSPRVMOCZBPI-KRWDZBQOSA-N 2 2 317.820 3.138 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)ccc1-n1cc[nH+]c1 ZINC001236909747 1099870526 /nfs/dbraw/zinc/87/05/26/1099870526.db2.gz XIKSPRVMOCZBPI-KRWDZBQOSA-N 2 2 317.820 3.138 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@]1(C)O ZINC001236913004 1099872509 /nfs/dbraw/zinc/87/25/09/1099872509.db2.gz GMFMKFLHLTWVDM-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H]1CO ZINC001236912582 1099873055 /nfs/dbraw/zinc/87/30/55/1099873055.db2.gz AETWWEWIFKPUIQ-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H]1CO ZINC001236912582 1099873062 /nfs/dbraw/zinc/87/30/62/1099873062.db2.gz AETWWEWIFKPUIQ-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236914006 1099874589 /nfs/dbraw/zinc/87/45/89/1099874589.db2.gz KJEZZZJFDDAPME-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@@]3(CCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236914006 1099874594 /nfs/dbraw/zinc/87/45/94/1099874594.db2.gz KJEZZZJFDDAPME-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CCOCC1 ZINC001236914154 1099875200 /nfs/dbraw/zinc/87/52/00/1099875200.db2.gz RPZFAXQWRDVECR-UHFFFAOYSA-N 2 2 319.836 3.384 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CCOCC1 ZINC001236914154 1099875211 /nfs/dbraw/zinc/87/52/11/1099875211.db2.gz RPZFAXQWRDVECR-UHFFFAOYSA-N 2 2 319.836 3.384 20 0 DGADLP OCC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915072 1099876200 /nfs/dbraw/zinc/87/62/00/1099876200.db2.gz YUZVJNUZZUSXPC-AWEZNQCLSA-N 2 2 319.836 3.120 20 0 DGADLP OCC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915072 1099876210 /nfs/dbraw/zinc/87/62/10/1099876210.db2.gz YUZVJNUZZUSXPC-AWEZNQCLSA-N 2 2 319.836 3.120 20 0 DGADLP c1sc2ccccc2c1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC001236950709 1099889197 /nfs/dbraw/zinc/88/91/97/1099889197.db2.gz PAHZUBYSZUEXQS-OAHLLOKOSA-N 2 2 316.470 3.069 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001203694039 1099904529 /nfs/dbraw/zinc/90/45/29/1099904529.db2.gz WPTRYVWKMBTYOO-HUUCEWRRSA-N 2 2 312.379 3.479 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc1C(F)(F)F ZINC001237055600 1099946616 /nfs/dbraw/zinc/94/66/16/1099946616.db2.gz CXERBYYGLIOQNK-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1C(F)(F)F ZINC001237055600 1099946623 /nfs/dbraw/zinc/94/66/23/1099946623.db2.gz CXERBYYGLIOQNK-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc1C(F)(F)F ZINC001237055598 1099946748 /nfs/dbraw/zinc/94/67/48/1099946748.db2.gz CXERBYYGLIOQNK-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1C(F)(F)F ZINC001237055598 1099946764 /nfs/dbraw/zinc/94/67/64/1099946764.db2.gz CXERBYYGLIOQNK-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc12 ZINC001237141085 1099991878 /nfs/dbraw/zinc/99/18/78/1099991878.db2.gz CXPYDRJQQHTSHS-FQEVSTJZSA-N 2 2 322.408 3.150 20 0 DGADLP c1ccc2c(c1)oc1ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc12 ZINC001237141085 1099991886 /nfs/dbraw/zinc/99/18/86/1099991886.db2.gz CXPYDRJQQHTSHS-FQEVSTJZSA-N 2 2 322.408 3.150 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142694 1099992899 /nfs/dbraw/zinc/99/28/99/1099992899.db2.gz OULQUFIUHCQSKJ-XLIONFOSSA-N 2 2 316.489 3.053 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142694 1099992902 /nfs/dbraw/zinc/99/29/02/1099992902.db2.gz OULQUFIUHCQSKJ-XLIONFOSSA-N 2 2 316.489 3.053 20 0 DGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142689 1099993384 /nfs/dbraw/zinc/99/33/84/1099993384.db2.gz OULQUFIUHCQSKJ-PXNSSMCTSA-N 2 2 316.489 3.053 20 0 DGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237142689 1099993396 /nfs/dbraw/zinc/99/33/96/1099993396.db2.gz OULQUFIUHCQSKJ-PXNSSMCTSA-N 2 2 316.489 3.053 20 0 DGADLP Clc1cnc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237143910 1099993722 /nfs/dbraw/zinc/99/37/22/1099993722.db2.gz HQEBSNLSJPBXBL-HNNXBMFYSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1cnc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237143910 1099993731 /nfs/dbraw/zinc/99/37/31/1099993731.db2.gz HQEBSNLSJPBXBL-HNNXBMFYSA-N 2 2 318.852 3.323 20 0 DGADLP c1ccc(OCC[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237277238 1100056590 /nfs/dbraw/zinc/05/65/90/1100056590.db2.gz XVOJTSFTJIILQD-UHFFFAOYSA-N 2 2 322.452 3.202 20 0 DGADLP CNc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237374033 1100098916 /nfs/dbraw/zinc/09/89/16/1100098916.db2.gz AYWNFJNYAQKYDF-UHFFFAOYSA-N 2 2 307.441 3.323 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)(F)F ZINC001237380235 1100099501 /nfs/dbraw/zinc/09/95/01/1100099501.db2.gz GKPFRAFHNFFUCQ-IUODEOHRSA-N 2 2 316.342 3.418 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)(F)F ZINC001237380235 1100099506 /nfs/dbraw/zinc/09/95/06/1100099506.db2.gz GKPFRAFHNFFUCQ-IUODEOHRSA-N 2 2 316.342 3.418 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001237372445 1100099756 /nfs/dbraw/zinc/09/97/56/1100099756.db2.gz XOSJWNYXEZCBAH-CALCHBBNSA-N 2 2 311.429 3.115 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001237372445 1100099762 /nfs/dbraw/zinc/09/97/62/1100099762.db2.gz XOSJWNYXEZCBAH-CALCHBBNSA-N 2 2 311.429 3.115 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001237372445 1100099768 /nfs/dbraw/zinc/09/97/68/1100099768.db2.gz XOSJWNYXEZCBAH-CALCHBBNSA-N 2 2 311.429 3.115 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001237372445 1100099776 /nfs/dbraw/zinc/09/97/76/1100099776.db2.gz XOSJWNYXEZCBAH-CALCHBBNSA-N 2 2 311.429 3.115 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1Br ZINC001237404708 1100112032 /nfs/dbraw/zinc/11/20/32/1100112032.db2.gz OYQKMJGQBPGFEL-HIFRSBDPSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1Br ZINC001237404708 1100112035 /nfs/dbraw/zinc/11/20/35/1100112035.db2.gz OYQKMJGQBPGFEL-HIFRSBDPSA-N 2 2 323.278 3.331 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1C(=O)OCC ZINC001237888938 1100283980 /nfs/dbraw/zinc/28/39/80/1100283980.db2.gz GCYVQZQRTHAVSI-UHFFFAOYSA-N 2 2 306.450 3.027 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(=O)OCC ZINC001237888938 1100283989 /nfs/dbraw/zinc/28/39/89/1100283989.db2.gz GCYVQZQRTHAVSI-UHFFFAOYSA-N 2 2 306.450 3.027 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911779 1100291094 /nfs/dbraw/zinc/29/10/94/1100291094.db2.gz GGSPCBHQAQPVSE-QUCCMNQESA-N 2 2 314.473 3.107 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911779 1100291099 /nfs/dbraw/zinc/29/10/99/1100291099.db2.gz GGSPCBHQAQPVSE-QUCCMNQESA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911779 1100291104 /nfs/dbraw/zinc/29/11/04/1100291104.db2.gz GGSPCBHQAQPVSE-QUCCMNQESA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911779 1100291110 /nfs/dbraw/zinc/29/11/10/1100291110.db2.gz GGSPCBHQAQPVSE-QUCCMNQESA-N 2 2 314.473 3.107 20 0 DGADLP Cc1sccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001237969620 1100308081 /nfs/dbraw/zinc/30/80/81/1100308081.db2.gz PZTZTRLDMMLVAQ-ROUUACIJSA-N 2 2 313.470 3.015 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652122 1100315664 /nfs/dbraw/zinc/31/56/64/1100315664.db2.gz WDUKSDHJANIPOK-BZSNNMDCSA-N 2 2 324.509 3.018 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652122 1100315671 /nfs/dbraw/zinc/31/56/71/1100315671.db2.gz WDUKSDHJANIPOK-BZSNNMDCSA-N 2 2 324.509 3.018 20 0 DGADLP Clc1ccc2c(c1)n[nH]c2C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001238004437 1100322929 /nfs/dbraw/zinc/32/29/29/1100322929.db2.gz NCNZKEKKLJLMPP-UHFFFAOYSA-N 2 2 315.808 3.250 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1C(F)(F)F ZINC001238052966 1100343044 /nfs/dbraw/zinc/34/30/44/1100343044.db2.gz WKHCOCAQKUTFJX-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1C(F)(F)F ZINC001238052966 1100343052 /nfs/dbraw/zinc/34/30/52/1100343052.db2.gz WKHCOCAQKUTFJX-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP Cc1cc(F)ccc1N1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238111225 1100363913 /nfs/dbraw/zinc/36/39/13/1100363913.db2.gz RWEXZVMPNXJQSI-UHFFFAOYSA-N 2 2 324.403 3.104 20 0 DGADLP Cc1cnc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)c(C)c1 ZINC001238442228 1100445371 /nfs/dbraw/zinc/44/53/71/1100445371.db2.gz UAUDDDYNFFBVKB-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP Cc1cnc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)c(C)c1 ZINC001238442228 1100445375 /nfs/dbraw/zinc/44/53/75/1100445375.db2.gz UAUDDDYNFFBVKB-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC2(CO1)CCCCC2 ZINC001191498727 1100482082 /nfs/dbraw/zinc/48/20/82/1100482082.db2.gz ZRBMNPLHOWJQGW-FGTMMUONSA-N 2 2 306.494 3.284 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC2(CO1)CCCCC2 ZINC001191498727 1100482087 /nfs/dbraw/zinc/48/20/87/1100482087.db2.gz ZRBMNPLHOWJQGW-FGTMMUONSA-N 2 2 306.494 3.284 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC2(CO1)CCCCC2 ZINC001191498727 1100482091 /nfs/dbraw/zinc/48/20/91/1100482091.db2.gz ZRBMNPLHOWJQGW-FGTMMUONSA-N 2 2 306.494 3.284 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC2(CO1)CCCCC2 ZINC001191498727 1100482093 /nfs/dbraw/zinc/48/20/93/1100482093.db2.gz ZRBMNPLHOWJQGW-FGTMMUONSA-N 2 2 306.494 3.284 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cncc4ccccc43)cc2)C1 ZINC001239948766 1100808525 /nfs/dbraw/zinc/80/85/25/1100808525.db2.gz FSARFWHNAPBJHT-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cncc4ccccc43)cc2)C1 ZINC001239948766 1100808534 /nfs/dbraw/zinc/80/85/34/1100808534.db2.gz FSARFWHNAPBJHT-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4cnccc43)c2)C1 ZINC001240010643 1100831593 /nfs/dbraw/zinc/83/15/93/1100831593.db2.gz SDYZOBZTTMUAHP-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4cnccc43)c2)C1 ZINC001240010643 1100831598 /nfs/dbraw/zinc/83/15/98/1100831598.db2.gz SDYZOBZTTMUAHP-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc(-c2cccc(CC[NH+]3CCOCC3)c2)c2[nH+]ccn2c1 ZINC001240270796 1100918187 /nfs/dbraw/zinc/91/81/87/1100918187.db2.gz PBVRIVAHTHEQRM-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccnc(C(F)(F)F)c3)c2)C1 ZINC001240341745 1100949794 /nfs/dbraw/zinc/94/97/94/1100949794.db2.gz QWNGTZBQDZVUFB-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccnc(C(F)(F)F)c3)c2)C1 ZINC001240341745 1100949801 /nfs/dbraw/zinc/94/98/01/1100949801.db2.gz QWNGTZBQDZVUFB-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3ncsc3c2)C1 ZINC001240345797 1100950909 /nfs/dbraw/zinc/95/09/09/1100950909.db2.gz SRKVQEVXKBZGCL-HNNXBMFYSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ncsc3c2)C1 ZINC001240345797 1100950915 /nfs/dbraw/zinc/95/09/15/1100950915.db2.gz SRKVQEVXKBZGCL-HNNXBMFYSA-N 2 2 309.438 3.496 20 0 DGADLP Cc1cc2cc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cnc2[nH]1 ZINC001240489478 1101018448 /nfs/dbraw/zinc/01/84/48/1101018448.db2.gz ZLNUIHIHJPZEEH-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2cc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cnc2[nH]1 ZINC001240489478 1101018450 /nfs/dbraw/zinc/01/84/50/1101018450.db2.gz ZLNUIHIHJPZEEH-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP c1cc(-c2cccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)c2)n[nH]1 ZINC001240561605 1101048904 /nfs/dbraw/zinc/04/89/04/1101048904.db2.gz ITOXLCQPTWVIQN-UHFFFAOYSA-N 2 2 315.380 3.078 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(N3CCCC3)cc2)C1 ZINC001240591294 1101063680 /nfs/dbraw/zinc/06/36/80/1101063680.db2.gz FZRRXLUZSTVSGT-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(N3CCCC3)cc2)C1 ZINC001240591294 1101063688 /nfs/dbraw/zinc/06/36/88/1101063688.db2.gz FZRRXLUZSTVSGT-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c(F)c3F)cc2)C1 ZINC001240993236 1101212969 /nfs/dbraw/zinc/21/29/69/1101212969.db2.gz YKRITABWZQOEGD-CYBMUJFWSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c(F)c3F)cc2)C1 ZINC001240993236 1101212975 /nfs/dbraw/zinc/21/29/75/1101212975.db2.gz YKRITABWZQOEGD-CYBMUJFWSA-N 2 2 306.331 3.304 20 0 DGADLP COc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241030480 1101227163 /nfs/dbraw/zinc/22/71/63/1101227163.db2.gz SOWZOVZBUXVFTO-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241030480 1101227167 /nfs/dbraw/zinc/22/71/67/1101227167.db2.gz SOWZOVZBUXVFTO-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP Fc1ccc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1F ZINC001241047376 1101234693 /nfs/dbraw/zinc/23/46/93/1101234693.db2.gz GPKBQIMGFHNREJ-UHFFFAOYSA-N 2 2 303.287 3.105 20 0 DGADLP CCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001241086715 1101248007 /nfs/dbraw/zinc/24/80/07/1101248007.db2.gz GLKGFGKGUAXSKZ-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001241086715 1101248010 /nfs/dbraw/zinc/24/80/10/1101248010.db2.gz GLKGFGKGUAXSKZ-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cccc(F)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241251919 1101322723 /nfs/dbraw/zinc/32/27/23/1101322723.db2.gz PTLFHCXQNWTPQP-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241522878 1101533005 /nfs/dbraw/zinc/53/30/05/1101533005.db2.gz BWAISRSLRODHSU-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241522878 1101533009 /nfs/dbraw/zinc/53/30/09/1101533009.db2.gz BWAISRSLRODHSU-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc4ccncc4c3)ccn12 ZINC001241675245 1101625961 /nfs/dbraw/zinc/62/59/61/1101625961.db2.gz FGXZDMFCJIINSP-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP Cn1ccc2c1cccc2-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241821519 1101728666 /nfs/dbraw/zinc/72/86/66/1101728666.db2.gz GSHWZNOGNDMVNH-UHFFFAOYSA-N 2 2 302.381 3.180 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3scnc3c2)C1 ZINC001241869269 1101758136 /nfs/dbraw/zinc/75/81/36/1101758136.db2.gz GXYRHRQEECHHOR-HNNXBMFYSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3scnc3c2)C1 ZINC001241869269 1101758146 /nfs/dbraw/zinc/75/81/46/1101758146.db2.gz GXYRHRQEECHHOR-HNNXBMFYSA-N 2 2 309.438 3.496 20 0 DGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1N(C)C ZINC001242241832 1102002724 /nfs/dbraw/zinc/00/27/24/1102002724.db2.gz DLRGMXPLBUUISH-LJQANCHMSA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1N(C)C ZINC001242241832 1102002734 /nfs/dbraw/zinc/00/27/34/1102002734.db2.gz DLRGMXPLBUUISH-LJQANCHMSA-N 2 2 309.457 3.261 20 0 DGADLP FC(F)(F)c1ncccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242375601 1102087538 /nfs/dbraw/zinc/08/75/38/1102087538.db2.gz KZVDERBRSYCKME-UHFFFAOYSA-N 2 2 318.302 3.102 20 0 DGADLP CCOC(=[NH2+])c1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242731392 1102314765 /nfs/dbraw/zinc/31/47/65/1102314765.db2.gz USTKZMAHFZFPMH-UHFFFAOYSA-N 2 2 312.417 3.179 20 0 DGADLP FC(F)Oc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001200901417 1102443816 /nfs/dbraw/zinc/44/38/16/1102443816.db2.gz ISVWKGTWFJQMFB-UHFFFAOYSA-N 2 2 307.344 3.275 20 0 DGADLP CCOC(=O)c1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001243041663 1102493054 /nfs/dbraw/zinc/49/30/54/1102493054.db2.gz WNXKQBIJQHNXRS-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001243041663 1102493058 /nfs/dbraw/zinc/49/30/58/1102493058.db2.gz WNXKQBIJQHNXRS-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205914206 1102532485 /nfs/dbraw/zinc/53/24/85/1102532485.db2.gz LLFOAOVCROSKKP-YPMHNXCESA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205914206 1102532493 /nfs/dbraw/zinc/53/24/93/1102532493.db2.gz LLFOAOVCROSKKP-YPMHNXCESA-N 2 2 314.832 3.437 20 0 DGADLP C[NH+]1CCC(COc2ccccc2Nc2ccc(N)[nH+]c2)CC1 ZINC001201295949 1102547780 /nfs/dbraw/zinc/54/77/80/1102547780.db2.gz YXYDASJMXPIJIW-UHFFFAOYSA-N 2 2 312.417 3.128 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC1CCCCC1)CC2 ZINC001201390166 1102579464 /nfs/dbraw/zinc/57/94/64/1102579464.db2.gz SPIGTVGEKYVZIJ-UHFFFAOYSA-N 2 2 318.509 3.464 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC1CCCCC1)CC2 ZINC001201390166 1102579469 /nfs/dbraw/zinc/57/94/69/1102579469.db2.gz SPIGTVGEKYVZIJ-UHFFFAOYSA-N 2 2 318.509 3.464 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(OC(F)F)c2)C1 ZINC001243359754 1102681560 /nfs/dbraw/zinc/68/15/60/1102681560.db2.gz OJFCCYFGIXDWSY-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(OC(F)F)c2)C1 ZINC001243359754 1102681562 /nfs/dbraw/zinc/68/15/62/1102681562.db2.gz OJFCCYFGIXDWSY-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201711316 1102697710 /nfs/dbraw/zinc/69/77/10/1102697710.db2.gz FDGUOTODPPPYEF-CYBMUJFWSA-N 2 2 317.477 3.247 20 0 DGADLP CCOc1cc(C)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243406519 1102705389 /nfs/dbraw/zinc/70/53/89/1102705389.db2.gz YGZFIMKKALPALC-UHFFFAOYSA-N 2 2 307.397 3.395 20 0 DGADLP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc[nH+]c3N)cc12 ZINC001243473544 1102741792 /nfs/dbraw/zinc/74/17/92/1102741792.db2.gz MNRSBYHSCUCIQH-OAHLLOKOSA-N 2 2 306.413 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc[nH+]c3N)cc12 ZINC001243473544 1102741805 /nfs/dbraw/zinc/74/18/05/1102741805.db2.gz MNRSBYHSCUCIQH-OAHLLOKOSA-N 2 2 306.413 3.449 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC1CCCC1)CC2 ZINC001202139520 1102853128 /nfs/dbraw/zinc/85/31/28/1102853128.db2.gz PEUJIXIOGDJRAB-UHFFFAOYSA-N 2 2 304.482 3.074 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167080 1102867775 /nfs/dbraw/zinc/86/77/75/1102867775.db2.gz KEMCLBFTVUNTLF-HOTGVXAUSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167080 1102867794 /nfs/dbraw/zinc/86/77/94/1102867794.db2.gz KEMCLBFTVUNTLF-HOTGVXAUSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167080 1102867806 /nfs/dbraw/zinc/86/78/06/1102867806.db2.gz KEMCLBFTVUNTLF-HOTGVXAUSA-N 2 2 305.491 3.230 20 0 DGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCCC4)CC[C@@H]32)n1 ZINC001202167080 1102867823 /nfs/dbraw/zinc/86/78/23/1102867823.db2.gz KEMCLBFTVUNTLF-HOTGVXAUSA-N 2 2 305.491 3.230 20 0 DGADLP c1ccc(OCCCCC[N@@H+]2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001326056270 1103196731 /nfs/dbraw/zinc/19/67/31/1103196731.db2.gz SSAPOXSVVGDBPI-SFHVURJKSA-N 2 2 302.462 3.406 20 0 DGADLP c1ccc(OCCCCC[N@H+]2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC001326056270 1103196743 /nfs/dbraw/zinc/19/67/43/1103196743.db2.gz SSAPOXSVVGDBPI-SFHVURJKSA-N 2 2 302.462 3.406 20 0 DGADLP c1ccc(OCCCCC[NH+]2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001326056270 1103196750 /nfs/dbraw/zinc/19/67/50/1103196750.db2.gz SSAPOXSVVGDBPI-SFHVURJKSA-N 2 2 302.462 3.406 20 0 DGADLP c1ccc(OCCCCC[NH+]2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001326056270 1103196759 /nfs/dbraw/zinc/19/67/59/1103196759.db2.gz SSAPOXSVVGDBPI-SFHVURJKSA-N 2 2 302.462 3.406 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnn(CCC)c2C)CC1 ZINC001138641021 1103233876 /nfs/dbraw/zinc/23/38/76/1103233876.db2.gz GRNXSIXLXHDHMT-UHFFFAOYSA-N 2 2 306.498 3.298 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnn(CCC)c2C)CC1 ZINC001138641021 1103233888 /nfs/dbraw/zinc/23/38/88/1103233888.db2.gz GRNXSIXLXHDHMT-UHFFFAOYSA-N 2 2 306.498 3.298 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244201526 1103279387 /nfs/dbraw/zinc/27/93/87/1103279387.db2.gz FJTNCMXDWRIJOQ-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244201526 1103279391 /nfs/dbraw/zinc/27/93/91/1103279391.db2.gz FJTNCMXDWRIJOQ-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4[nH]c(=O)ccc43)c2)C1 ZINC001244320596 1103357560 /nfs/dbraw/zinc/35/75/60/1103357560.db2.gz TZKGXOMOGYBCLQ-MRXNPFEDSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4[nH]c(=O)ccc43)c2)C1 ZINC001244320596 1103357573 /nfs/dbraw/zinc/35/75/73/1103357573.db2.gz TZKGXOMOGYBCLQ-MRXNPFEDSA-N 2 2 319.408 3.140 20 0 DGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc(O)c1F ZINC001244524943 1103496507 /nfs/dbraw/zinc/49/65/07/1103496507.db2.gz JIWDTGHWJRGMQW-OAHLLOKOSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc(O)c1F ZINC001244524943 1103496513 /nfs/dbraw/zinc/49/65/13/1103496513.db2.gz JIWDTGHWJRGMQW-OAHLLOKOSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc(O)c1F ZINC001244524940 1103496811 /nfs/dbraw/zinc/49/68/11/1103496811.db2.gz JIWDTGHWJRGMQW-HNNXBMFYSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc(O)c1F ZINC001244524940 1103496818 /nfs/dbraw/zinc/49/68/18/1103496818.db2.gz JIWDTGHWJRGMQW-HNNXBMFYSA-N 2 2 300.377 3.040 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244799333 1103692653 /nfs/dbraw/zinc/69/26/53/1103692653.db2.gz OURKJGBCMCMGRV-SFHVURJKSA-N 2 2 313.420 3.092 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244799333 1103692661 /nfs/dbraw/zinc/69/26/61/1103692661.db2.gz OURKJGBCMCMGRV-SFHVURJKSA-N 2 2 313.420 3.092 20 0 DGADLP CSc1ncc(C)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244886002 1103744131 /nfs/dbraw/zinc/74/41/31/1103744131.db2.gz YMVMVICHUOXESA-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(C)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244886002 1103744142 /nfs/dbraw/zinc/74/41/42/1103744142.db2.gz YMVMVICHUOXESA-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3[nH]cnc3c2)C2CCCC2)CC1 ZINC001137050027 1103756756 /nfs/dbraw/zinc/75/67/56/1103756756.db2.gz MIWRRNICIHFLCM-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3[nH]cnc3c2)C2CCCC2)CC1 ZINC001137050027 1103756764 /nfs/dbraw/zinc/75/67/64/1103756764.db2.gz MIWRRNICIHFLCM-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3nc[nH]c3c2)C2CCCC2)CC1 ZINC001137050027 1103756768 /nfs/dbraw/zinc/75/67/68/1103756768.db2.gz MIWRRNICIHFLCM-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3nc[nH]c3c2)C2CCCC2)CC1 ZINC001137050027 1103756770 /nfs/dbraw/zinc/75/67/70/1103756770.db2.gz MIWRRNICIHFLCM-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1F ZINC001206565035 1103830342 /nfs/dbraw/zinc/83/03/42/1103830342.db2.gz SLRZGEAWFZQIJW-KRWDZBQOSA-N 2 2 312.404 3.314 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1F ZINC001206565035 1103830360 /nfs/dbraw/zinc/83/03/60/1103830360.db2.gz SLRZGEAWFZQIJW-KRWDZBQOSA-N 2 2 312.404 3.314 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3Cl)cc2)C1 ZINC001245083012 1103850591 /nfs/dbraw/zinc/85/05/91/1103850591.db2.gz JFACEQOITVJDQN-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3Cl)cc2)C1 ZINC001245083012 1103850609 /nfs/dbraw/zinc/85/06/09/1103850609.db2.gz JFACEQOITVJDQN-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccsc2Br)C1 ZINC001206566289 1103852351 /nfs/dbraw/zinc/85/23/51/1103852351.db2.gz ZFOSVRILRYXBPB-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccsc2Br)C1 ZINC001206566289 1103852366 /nfs/dbraw/zinc/85/23/66/1103852366.db2.gz ZFOSVRILRYXBPB-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)ccn12 ZINC001245349257 1103997330 /nfs/dbraw/zinc/99/73/30/1103997330.db2.gz CTPGPVJGHQKQJE-SFHVURJKSA-N 3 2 318.424 3.113 20 0 DGADLP c1cn(Cc2ccc(C3=CC[C@H]([NH+]4CCOCC4)CC3)cc2)c[nH+]1 ZINC001245427669 1104048294 /nfs/dbraw/zinc/04/82/94/1104048294.db2.gz YOFXBNPOWPSDKD-FQEVSTJZSA-N 2 2 323.440 3.200 20 0 DGADLP FC1(F)[C@@H]2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001329548322 1104313078 /nfs/dbraw/zinc/31/30/78/1104313078.db2.gz LCRWUUYKYFSUMG-IMJJTQAJSA-N 2 2 303.356 3.396 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cc(F)ccc2OC(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246075609 1104370589 /nfs/dbraw/zinc/37/05/89/1104370589.db2.gz JBPZWTVFKLWUJE-UWVGGRQHSA-N 2 2 320.330 3.343 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246088784 1104378000 /nfs/dbraw/zinc/37/80/00/1104378000.db2.gz XOXOKJPHFPRFEJ-BPLDGKMQSA-N 2 2 314.470 3.360 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246089945 1104380814 /nfs/dbraw/zinc/38/08/14/1104380814.db2.gz HXKDMCNSBPZPMR-WPZCVXBKSA-N 2 2 302.437 3.103 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246095644 1104381893 /nfs/dbraw/zinc/38/18/93/1104381893.db2.gz JNHORPFXVKDYOB-XQQFMLRXSA-N 2 2 317.235 3.140 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246112764 1104393314 /nfs/dbraw/zinc/39/33/14/1104393314.db2.gz RRGRYRDYTDMMLU-WCQGTBRESA-N 2 2 320.786 3.229 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)C2 ZINC001246142827 1104404734 /nfs/dbraw/zinc/40/47/34/1104404734.db2.gz PGNDYVPMPCUEOB-ZCNNSNEGSA-N 2 2 310.416 3.376 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)CC[NH2+]1 ZINC001246158421 1104410289 /nfs/dbraw/zinc/41/02/89/1104410289.db2.gz LJSNRTKEFLCQLD-WCQYABFASA-N 2 2 300.368 3.360 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246161915 1104412377 /nfs/dbraw/zinc/41/23/77/1104412377.db2.gz MCMGTYVMQHRTEY-NWDGAFQWSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC[NH2+]1 ZINC001246174904 1104420389 /nfs/dbraw/zinc/42/03/89/1104420389.db2.gz KFQSRHWKFKLVRB-RKVPGOIHSA-N 2 2 321.896 3.207 20 0 DGADLP c1ccc(N2CCCCCC2)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246183305 1104426442 /nfs/dbraw/zinc/42/64/42/1104426442.db2.gz XFFIHZHYFUSNLL-GOSISDBHSA-N 2 2 301.478 3.299 20 0 DGADLP C[N@@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955864 1104438357 /nfs/dbraw/zinc/43/83/57/1104438357.db2.gz CTJRZSBZMZYXSW-QRVBRYPASA-N 2 2 319.468 3.035 20 0 DGADLP C[N@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955864 1104438361 /nfs/dbraw/zinc/43/83/61/1104438361.db2.gz CTJRZSBZMZYXSW-QRVBRYPASA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955864 1104438367 /nfs/dbraw/zinc/43/83/67/1104438367.db2.gz CTJRZSBZMZYXSW-QRVBRYPASA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955864 1104438372 /nfs/dbraw/zinc/43/83/72/1104438372.db2.gz CTJRZSBZMZYXSW-QRVBRYPASA-N 2 2 319.468 3.035 20 0 DGADLP C[C@H]1CC([NH2+]Cc2ccc(C(F)(F)F)cc2F)C[C@H](C)[NH2+]1 ZINC001246228930 1104447751 /nfs/dbraw/zinc/44/77/51/1104447751.db2.gz YXEVMAQHNMWREA-UWVGGRQHSA-N 2 2 304.331 3.463 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246248388 1104457074 /nfs/dbraw/zinc/45/70/74/1104457074.db2.gz XABNZAKNTLWYKQ-SCTDSRPQSA-N 3 2 319.468 3.049 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246248385 1104457972 /nfs/dbraw/zinc/45/79/72/1104457972.db2.gz XABNZAKNTLWYKQ-AOIWGVFYSA-N 3 2 319.468 3.049 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)C[C@H](C)[NH2+]1 ZINC001246249792 1104458593 /nfs/dbraw/zinc/45/85/93/1104458593.db2.gz QQTZDZCUCKAZEN-DDFAGTSDSA-N 2 2 315.230 3.207 20 0 DGADLP COc1cc(F)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246261398 1104463852 /nfs/dbraw/zinc/46/38/52/1104463852.db2.gz DGIUITXUPSZNFF-QZTJIDSGSA-N 2 2 314.404 3.417 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246280293 1104472753 /nfs/dbraw/zinc/47/27/53/1104472753.db2.gz SSCHVIXGKFTPPP-MAUKXSAKSA-N 2 2 302.368 3.112 20 0 DGADLP Fc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(F)c1 ZINC001330126477 1104485324 /nfs/dbraw/zinc/48/53/24/1104485324.db2.gz GHOQGCYYDDHWGG-IEBWSBKVSA-N 2 2 316.395 3.243 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCC3)n2)C[C@H](CC)[NH2+]1 ZINC001246372228 1104513162 /nfs/dbraw/zinc/51/31/62/1104513162.db2.gz YMDHXXATBLJPDI-SCAQPMJSSA-N 2 2 317.477 3.412 20 0 DGADLP Fc1ccc([C@@H](CC2CCOCC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246454795 1104544536 /nfs/dbraw/zinc/54/45/36/1104544536.db2.gz GZYWEAULAHFLAX-RBUKOAKNSA-N 2 2 320.452 3.415 20 0 DGADLP Cc1c[nH+]c2ccccc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC001330405917 1104548723 /nfs/dbraw/zinc/54/87/23/1104548723.db2.gz RMCUCBSSGALZSI-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP Fc1ccc([C@@H](CC2CCOCC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246462172 1104548979 /nfs/dbraw/zinc/54/89/79/1104548979.db2.gz YKJBVXOQPQVDGF-QZTJIDSGSA-N 2 2 306.425 3.025 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCc3c(C)cccc3C2)c1 ZINC001246511798 1104571892 /nfs/dbraw/zinc/57/18/92/1104571892.db2.gz RWRMITCHCBJPRD-PXNSSMCTSA-N 2 2 310.441 3.151 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC001246519063 1104575678 /nfs/dbraw/zinc/57/56/78/1104575678.db2.gz LZBWKGUQNUPSGV-MRXNPFEDSA-N 2 2 304.434 3.031 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC(C)(C)C2)cc1 ZINC001246527089 1104577272 /nfs/dbraw/zinc/57/72/72/1104577272.db2.gz RSEODPVQPHAXLY-HZPDHXFCSA-N 2 2 304.434 3.031 20 0 DGADLP CCCC[C@@H](CCC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246524562 1104577990 /nfs/dbraw/zinc/57/79/90/1104577990.db2.gz JYANSSOYOJIUNA-IAGOWNOFSA-N 2 2 306.450 3.422 20 0 DGADLP CCCC[C@H](CCC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246524561 1104578417 /nfs/dbraw/zinc/57/84/17/1104578417.db2.gz JYANSSOYOJIUNA-DLBZAZTESA-N 2 2 306.450 3.422 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246541064 1104586383 /nfs/dbraw/zinc/58/63/83/1104586383.db2.gz LMEKPVSWBGGTNB-RBUKOAKNSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541064 1104586389 /nfs/dbraw/zinc/58/63/89/1104586389.db2.gz LMEKPVSWBGGTNB-RBUKOAKNSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541064 1104586398 /nfs/dbraw/zinc/58/63/98/1104586398.db2.gz LMEKPVSWBGGTNB-RBUKOAKNSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541064 1104586404 /nfs/dbraw/zinc/58/64/04/1104586404.db2.gz LMEKPVSWBGGTNB-RBUKOAKNSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246546656 1104588003 /nfs/dbraw/zinc/58/80/03/1104588003.db2.gz NCKWPCRCMPECAL-LMMKCTJWSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1CC([N@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246546656 1104588013 /nfs/dbraw/zinc/58/80/13/1104588013.db2.gz NCKWPCRCMPECAL-LMMKCTJWSA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)(C)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275050268 1104592710 /nfs/dbraw/zinc/59/27/10/1104592710.db2.gz AWVXDLZDASJVEC-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275050268 1104592714 /nfs/dbraw/zinc/59/27/14/1104592714.db2.gz AWVXDLZDASJVEC-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275050268 1104592722 /nfs/dbraw/zinc/59/27/22/1104592722.db2.gz AWVXDLZDASJVEC-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275050268 1104592731 /nfs/dbraw/zinc/59/27/31/1104592731.db2.gz AWVXDLZDASJVEC-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+])CC2 ZINC001246572300 1104599589 /nfs/dbraw/zinc/59/95/89/1104599589.db2.gz WFPZFHVDGCJLTQ-MGPQQGTHSA-N 2 2 322.880 3.265 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H](C)CC[C@@H]1C[NH3+])CC2 ZINC001246572300 1104599599 /nfs/dbraw/zinc/59/95/99/1104599599.db2.gz WFPZFHVDGCJLTQ-MGPQQGTHSA-N 2 2 322.880 3.265 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572681 1104601140 /nfs/dbraw/zinc/60/11/40/1104601140.db2.gz ASVSPUCHZRNJQQ-RHSMWYFYSA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572681 1104601148 /nfs/dbraw/zinc/60/11/48/1104601148.db2.gz ASVSPUCHZRNJQQ-RHSMWYFYSA-N 2 2 310.844 3.350 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575179 1104602370 /nfs/dbraw/zinc/60/23/70/1104602370.db2.gz WDJZXQOIAIHIJK-SMDDNHRTSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575179 1104602374 /nfs/dbraw/zinc/60/23/74/1104602374.db2.gz WDJZXQOIAIHIJK-SMDDNHRTSA-N 2 2 313.272 3.392 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582378 1104606689 /nfs/dbraw/zinc/60/66/89/1104606689.db2.gz RWWXVKWRBZBNDR-DLBZAZTESA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582378 1104606692 /nfs/dbraw/zinc/60/66/92/1104606692.db2.gz RWWXVKWRBZBNDR-DLBZAZTESA-N 2 2 310.844 3.350 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599117 1104616858 /nfs/dbraw/zinc/61/68/58/1104616858.db2.gz QAKUNGNHNZAYCN-IAGOWNOFSA-N 2 2 316.445 3.084 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599117 1104616862 /nfs/dbraw/zinc/61/68/62/1104616862.db2.gz QAKUNGNHNZAYCN-IAGOWNOFSA-N 2 2 316.445 3.084 20 0 DGADLP C1CCC2(CC1)CCC[C@H]([N@@H+]1CCC[C@]3(C[NH2+]CCO3)C1)C2 ZINC001246645190 1104643365 /nfs/dbraw/zinc/64/33/65/1104643365.db2.gz CDQBOXOSBAQHHX-HKUYNNGSSA-N 2 2 306.494 3.334 20 0 DGADLP C1CCC2(CC1)CCC[C@H]([N@H+]1CCC[C@]3(C[NH2+]CCO3)C1)C2 ZINC001246645190 1104643370 /nfs/dbraw/zinc/64/33/70/1104643370.db2.gz CDQBOXOSBAQHHX-HKUYNNGSSA-N 2 2 306.494 3.334 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647685 1104645706 /nfs/dbraw/zinc/64/57/06/1104645706.db2.gz MLNXBIGTRXLEGV-MOPGFXCFSA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CCCCC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC001246647685 1104645710 /nfs/dbraw/zinc/64/57/10/1104645710.db2.gz MLNXBIGTRXLEGV-MOPGFXCFSA-N 3 2 313.489 3.088 20 0 DGADLP COc1ccccc1CC1CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246697407 1104664029 /nfs/dbraw/zinc/66/40/29/1104664029.db2.gz NCBLYMCJRJJJIP-CRAIPNDOSA-N 2 2 302.462 3.090 20 0 DGADLP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246778099 1104668504 /nfs/dbraw/zinc/66/85/04/1104668504.db2.gz GXRJARDYHONXPX-HNNXBMFYSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246778099 1104668511 /nfs/dbraw/zinc/66/85/11/1104668511.db2.gz GXRJARDYHONXPX-HNNXBMFYSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC001246807723 1104683725 /nfs/dbraw/zinc/68/37/25/1104683725.db2.gz QMNSVKGIQKIROV-LNLFQRSKSA-N 2 2 320.452 3.428 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCCO2)CC[NH2+]1 ZINC001246807723 1104683727 /nfs/dbraw/zinc/68/37/27/1104683727.db2.gz QMNSVKGIQKIROV-LNLFQRSKSA-N 2 2 320.452 3.428 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(OC)c1 ZINC001275256935 1104694631 /nfs/dbraw/zinc/69/46/31/1104694631.db2.gz ATNIDPQYVBVYAM-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(OC)c1 ZINC001275256935 1104694636 /nfs/dbraw/zinc/69/46/36/1104694636.db2.gz ATNIDPQYVBVYAM-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(OC)c1 ZINC001275256935 1104694641 /nfs/dbraw/zinc/69/46/41/1104694641.db2.gz ATNIDPQYVBVYAM-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(OC)c1 ZINC001275256935 1104694645 /nfs/dbraw/zinc/69/46/45/1104694645.db2.gz ATNIDPQYVBVYAM-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842694 1104703693 /nfs/dbraw/zinc/70/36/93/1104703693.db2.gz UPBVMAOJPHTUDB-MJGOQNOKSA-N 2 2 302.462 3.073 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842694 1104703699 /nfs/dbraw/zinc/70/36/99/1104703699.db2.gz UPBVMAOJPHTUDB-MJGOQNOKSA-N 2 2 302.462 3.073 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246944654 1104746696 /nfs/dbraw/zinc/74/66/96/1104746696.db2.gz JAIHBHPZCCYCPX-SMDDNHRTSA-N 2 2 302.846 3.193 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246944654 1104746699 /nfs/dbraw/zinc/74/66/99/1104746699.db2.gz JAIHBHPZCCYCPX-SMDDNHRTSA-N 2 2 302.846 3.193 20 0 DGADLP CO[C@H]1CCC[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246951788 1104749758 /nfs/dbraw/zinc/74/97/58/1104749758.db2.gz FZXKNDOTNIGXGS-OTWHNJEPSA-N 2 2 320.452 3.337 20 0 DGADLP CO[C@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246951788 1104749764 /nfs/dbraw/zinc/74/97/64/1104749764.db2.gz FZXKNDOTNIGXGS-OTWHNJEPSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246952146 1104750749 /nfs/dbraw/zinc/75/07/49/1104750749.db2.gz VDEHVEMRDUGSRL-OTWHNJEPSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246952146 1104750754 /nfs/dbraw/zinc/75/07/54/1104750754.db2.gz VDEHVEMRDUGSRL-OTWHNJEPSA-N 2 2 320.452 3.337 20 0 DGADLP Fc1cccc(F)c1C[N@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246966245 1104753767 /nfs/dbraw/zinc/75/37/67/1104753767.db2.gz VMOITJJQMVUCLL-NHAGDIPZSA-N 2 2 306.400 3.317 20 0 DGADLP Fc1cccc(F)c1C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246966245 1104753769 /nfs/dbraw/zinc/75/37/69/1104753769.db2.gz VMOITJJQMVUCLL-NHAGDIPZSA-N 2 2 306.400 3.317 20 0 DGADLP CCOC(=O)C1CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975305 1104758931 /nfs/dbraw/zinc/75/89/31/1104758931.db2.gz BTCORLSYPTUFLS-VMWRSERWSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975305 1104758938 /nfs/dbraw/zinc/75/89/38/1104758938.db2.gz BTCORLSYPTUFLS-VMWRSERWSA-N 2 2 322.493 3.105 20 0 DGADLP Fc1cccc2c1CC[C@@]21CCC[N@@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC001247000350 1104771565 /nfs/dbraw/zinc/77/15/65/1104771565.db2.gz WAPABRKOYCJEGI-HNAYVOBHSA-N 2 2 302.437 3.248 20 0 DGADLP Fc1cccc2c1CC[C@@]21CCC[N@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC001247000350 1104771569 /nfs/dbraw/zinc/77/15/69/1104771569.db2.gz WAPABRKOYCJEGI-HNAYVOBHSA-N 2 2 302.437 3.248 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247013639 1104778866 /nfs/dbraw/zinc/77/88/66/1104778866.db2.gz HDFWGCCSPCOGQO-IOASZLSFSA-N 2 2 324.390 3.035 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247013639 1104778873 /nfs/dbraw/zinc/77/88/73/1104778873.db2.gz HDFWGCCSPCOGQO-IOASZLSFSA-N 2 2 324.390 3.035 20 0 DGADLP CCOc1cc2[nH]c(C[C@H]3CCCC[NH2+]3)[nH+]c2cc1OCC ZINC001247019181 1104780094 /nfs/dbraw/zinc/78/00/94/1104780094.db2.gz HIVFLKGVVOBLFJ-GFCCVEGCSA-N 2 2 303.406 3.045 20 0 DGADLP CCCOc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275698502 1104868998 /nfs/dbraw/zinc/86/89/98/1104868998.db2.gz AFPSIAYRCOYBHH-IBGZPJMESA-N 2 2 302.462 3.393 20 0 DGADLP CCCOc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275698502 1104869006 /nfs/dbraw/zinc/86/90/06/1104869006.db2.gz AFPSIAYRCOYBHH-IBGZPJMESA-N 2 2 302.462 3.393 20 0 DGADLP CCCOc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275698502 1104869014 /nfs/dbraw/zinc/86/90/14/1104869014.db2.gz AFPSIAYRCOYBHH-IBGZPJMESA-N 2 2 302.462 3.393 20 0 DGADLP CCCOc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001275698502 1104869020 /nfs/dbraw/zinc/86/90/20/1104869020.db2.gz AFPSIAYRCOYBHH-IBGZPJMESA-N 2 2 302.462 3.393 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000719413198 1104914772 /nfs/dbraw/zinc/91/47/72/1104914772.db2.gz CPVCXFDEPVRYRE-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Br)C[C@H]1C[NH3+] ZINC000719413198 1104914778 /nfs/dbraw/zinc/91/47/78/1104914778.db2.gz CPVCXFDEPVRYRE-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC001247702017 1104959710 /nfs/dbraw/zinc/95/97/10/1104959710.db2.gz UWJGSXSAWZIFGG-AWEZNQCLSA-N 2 2 314.776 3.016 20 0 DGADLP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017639 1104989143 /nfs/dbraw/zinc/98/91/43/1104989143.db2.gz CVDHUSJDKJOYHX-CNMWIUBYSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017639 1104989147 /nfs/dbraw/zinc/98/91/47/1104989147.db2.gz CVDHUSJDKJOYHX-CNMWIUBYSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1C[C@@H](C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017639 1104989153 /nfs/dbraw/zinc/98/91/53/1104989153.db2.gz CVDHUSJDKJOYHX-CNMWIUBYSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1C[C@@H](C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017639 1104989157 /nfs/dbraw/zinc/98/91/57/1104989157.db2.gz CVDHUSJDKJOYHX-CNMWIUBYSA-N 2 2 306.494 3.139 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276068539 1105007767 /nfs/dbraw/zinc/00/77/67/1105007767.db2.gz XMDCWTGNQIYCCJ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001276068539 1105007775 /nfs/dbraw/zinc/00/77/75/1105007775.db2.gz XMDCWTGNQIYCCJ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276068539 1105007780 /nfs/dbraw/zinc/00/77/80/1105007780.db2.gz XMDCWTGNQIYCCJ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276068539 1105007788 /nfs/dbraw/zinc/00/77/88/1105007788.db2.gz XMDCWTGNQIYCCJ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP OCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001276098011 1105016349 /nfs/dbraw/zinc/01/63/49/1105016349.db2.gz PMNRLPLGJITIQW-IBGZPJMESA-N 2 2 318.461 3.002 20 0 DGADLP OCc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001276098011 1105016356 /nfs/dbraw/zinc/01/63/56/1105016356.db2.gz PMNRLPLGJITIQW-IBGZPJMESA-N 2 2 318.461 3.002 20 0 DGADLP OCc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)o1 ZINC001276098011 1105016362 /nfs/dbraw/zinc/01/63/62/1105016362.db2.gz PMNRLPLGJITIQW-IBGZPJMESA-N 2 2 318.461 3.002 20 0 DGADLP OCc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)o1 ZINC001276098011 1105016367 /nfs/dbraw/zinc/01/63/67/1105016367.db2.gz PMNRLPLGJITIQW-IBGZPJMESA-N 2 2 318.461 3.002 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187980 1105042954 /nfs/dbraw/zinc/04/29/54/1105042954.db2.gz UMUCPUKRLBDTCA-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187980 1105042961 /nfs/dbraw/zinc/04/29/61/1105042961.db2.gz UMUCPUKRLBDTCA-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187980 1105042967 /nfs/dbraw/zinc/04/29/67/1105042967.db2.gz UMUCPUKRLBDTCA-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187980 1105042973 /nfs/dbraw/zinc/04/29/73/1105042973.db2.gz UMUCPUKRLBDTCA-GOSISDBHSA-N 2 2 301.409 3.225 20 0 DGADLP Cc1ncoc1C[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276215796 1105050602 /nfs/dbraw/zinc/05/06/02/1105050602.db2.gz IUEJHZHNJIDVMW-SFHVURJKSA-N 2 2 303.450 3.214 20 0 DGADLP Cc1ncoc1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276215796 1105050609 /nfs/dbraw/zinc/05/06/09/1105050609.db2.gz IUEJHZHNJIDVMW-SFHVURJKSA-N 2 2 303.450 3.214 20 0 DGADLP Cc1ncoc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276215796 1105050615 /nfs/dbraw/zinc/05/06/15/1105050615.db2.gz IUEJHZHNJIDVMW-SFHVURJKSA-N 2 2 303.450 3.214 20 0 DGADLP Cc1ncoc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276215796 1105050620 /nfs/dbraw/zinc/05/06/20/1105050620.db2.gz IUEJHZHNJIDVMW-SFHVURJKSA-N 2 2 303.450 3.214 20 0 DGADLP Cc1noc2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)cc12 ZINC001248712025 1105149472 /nfs/dbraw/zinc/14/94/72/1105149472.db2.gz FPWKMRRFFMVSGN-MRXNPFEDSA-N 2 2 323.396 3.493 20 0 DGADLP Cc1noc2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)cc12 ZINC001248712025 1105149475 /nfs/dbraw/zinc/14/94/75/1105149475.db2.gz FPWKMRRFFMVSGN-MRXNPFEDSA-N 2 2 323.396 3.493 20 0 DGADLP Cc1noc2ccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)cc12 ZINC001248712023 1105149830 /nfs/dbraw/zinc/14/98/30/1105149830.db2.gz FPWKMRRFFMVSGN-INIZCTEOSA-N 2 2 323.396 3.493 20 0 DGADLP Cc1noc2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)cc12 ZINC001248712023 1105149833 /nfs/dbraw/zinc/14/98/33/1105149833.db2.gz FPWKMRRFFMVSGN-INIZCTEOSA-N 2 2 323.396 3.493 20 0 DGADLP Cc1noc2ccc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)cc12 ZINC001248712017 1105149847 /nfs/dbraw/zinc/14/98/47/1105149847.db2.gz FJKDUMVFVLOMJY-UHFFFAOYSA-N 2 2 301.434 3.441 20 0 DGADLP Cc1noc2ccc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)cc12 ZINC001248712017 1105149849 /nfs/dbraw/zinc/14/98/49/1105149849.db2.gz FJKDUMVFVLOMJY-UHFFFAOYSA-N 2 2 301.434 3.441 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC001248801743 1105164840 /nfs/dbraw/zinc/16/48/40/1105164840.db2.gz FHTRPISKBRAITC-ROUUACIJSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cs1 ZINC001248803786 1105166201 /nfs/dbraw/zinc/16/62/01/1105166201.db2.gz RJPZNSJAXBOMAG-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cs1 ZINC001248803786 1105166204 /nfs/dbraw/zinc/16/62/04/1105166204.db2.gz RJPZNSJAXBOMAG-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@H+](Cc1cnc(C)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001249514414 1105301454 /nfs/dbraw/zinc/30/14/54/1105301454.db2.gz KEBPZBOELOLAMK-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP CC[N@@H+](Cc1cnc(C)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001249514414 1105301461 /nfs/dbraw/zinc/30/14/61/1105301461.db2.gz KEBPZBOELOLAMK-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP c1cn(-c2ccc(NC3=CC[C@H]([NH+]4CCOCC4)CC3)cc2)c[nH+]1 ZINC001249557064 1105313199 /nfs/dbraw/zinc/31/31/99/1105313199.db2.gz UQRSDUIOCAPTRG-SFHVURJKSA-N 2 2 324.428 3.053 20 0 DGADLP C[N@@H+](Cc1cc(O)c(Cl)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001250408324 1105510579 /nfs/dbraw/zinc/51/05/79/1105510579.db2.gz YLIVKNWYMOWSNN-UHFFFAOYSA-N 2 2 318.795 3.097 20 0 DGADLP C[N@H+](Cc1cc(O)c(Cl)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001250408324 1105510580 /nfs/dbraw/zinc/51/05/80/1105510580.db2.gz YLIVKNWYMOWSNN-UHFFFAOYSA-N 2 2 318.795 3.097 20 0 DGADLP C[NH+]1CCN(c2ccc3[nH]c(Cc4ccccc4F)[nH+]c3c2)CC1 ZINC001250552623 1105536130 /nfs/dbraw/zinc/53/61/30/1105536130.db2.gz INHOFXNAVHNXQD-UHFFFAOYSA-N 2 2 324.403 3.045 20 0 DGADLP O[C@]1(CNc2cccc(C3CC3)[nH+]2)CC[N@H+](Cc2ccccc2)C1 ZINC001252921840 1105855434 /nfs/dbraw/zinc/85/54/34/1105855434.db2.gz XJLRMZDNKUXQOF-FQEVSTJZSA-N 2 2 323.440 3.008 20 0 DGADLP O[C@]1(CNc2cccc(C3CC3)[nH+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252921840 1105855438 /nfs/dbraw/zinc/85/54/38/1105855438.db2.gz XJLRMZDNKUXQOF-FQEVSTJZSA-N 2 2 323.440 3.008 20 0 DGADLP CC[NH+](CC)C[C@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001253176692 1105898882 /nfs/dbraw/zinc/89/88/82/1105898882.db2.gz MNKIJWGZKKVYQZ-GFCCVEGCSA-N 2 2 307.825 3.003 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC001253208800 1105903780 /nfs/dbraw/zinc/90/37/80/1105903780.db2.gz SYGOXGYGBLHUDI-ABAIWWIYSA-N 2 2 319.276 3.347 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1F ZINC001253211682 1105903943 /nfs/dbraw/zinc/90/39/43/1105903943.db2.gz JQOPVFBJCYHFSF-APWZRJJASA-N 2 2 322.468 3.349 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1Cl ZINC001253383254 1105932893 /nfs/dbraw/zinc/93/28/93/1105932893.db2.gz CIBZIUVSVZHSKY-PWSUYJOCSA-N 2 2 319.276 3.393 20 0 DGADLP Cc1ncsc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001254018593 1106010606 /nfs/dbraw/zinc/01/06/06/1106010606.db2.gz MNGMNYISBCWACG-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1ncsc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001254018593 1106010611 /nfs/dbraw/zinc/01/06/11/1106010611.db2.gz MNGMNYISBCWACG-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C4CCC5(CC5)CC4)C[C@@H]3C2)nc1 ZINC001254442184 1106070828 /nfs/dbraw/zinc/07/08/28/1106070828.db2.gz BZAGNBAWNCSBKF-IRXDYDNUSA-N 2 2 311.473 3.168 20 0 DGADLP C[N@H+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531896 1106096557 /nfs/dbraw/zinc/09/65/57/1106096557.db2.gz MRAQUULSHHCQBP-WOJBJXKFSA-N 2 2 315.505 3.067 20 0 DGADLP C[N@@H+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531896 1106096561 /nfs/dbraw/zinc/09/65/61/1106096561.db2.gz MRAQUULSHHCQBP-WOJBJXKFSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531896 1106096567 /nfs/dbraw/zinc/09/65/67/1106096567.db2.gz MRAQUULSHHCQBP-WOJBJXKFSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531896 1106096573 /nfs/dbraw/zinc/09/65/73/1106096573.db2.gz MRAQUULSHHCQBP-WOJBJXKFSA-N 2 2 315.505 3.067 20 0 DGADLP C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001254761342 1106138906 /nfs/dbraw/zinc/13/89/06/1106138906.db2.gz MMJRJGZGZYIMJV-MRXNPFEDSA-N 2 2 324.472 3.079 20 0 DGADLP Brc1ccccc1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254833343 1106145341 /nfs/dbraw/zinc/14/53/41/1106145341.db2.gz PCQHHMAGJNFUSR-HNNXBMFYSA-N 2 2 323.278 3.066 20 0 DGADLP CCn1cnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255133029 1106186231 /nfs/dbraw/zinc/18/62/31/1106186231.db2.gz OLUZEJKATOLMLL-VJDPLVQDSA-N 2 2 324.472 3.188 20 0 DGADLP CCn1cnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255133029 1106186234 /nfs/dbraw/zinc/18/62/34/1106186234.db2.gz OLUZEJKATOLMLL-VJDPLVQDSA-N 2 2 324.472 3.188 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001255142969 1106189436 /nfs/dbraw/zinc/18/94/36/1106189436.db2.gz HQKJDSUHADCRML-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001255142969 1106189438 /nfs/dbraw/zinc/18/94/38/1106189438.db2.gz HQKJDSUHADCRML-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCCC24COC4)C3)cc1 ZINC001255142969 1106189439 /nfs/dbraw/zinc/18/94/39/1106189439.db2.gz HQKJDSUHADCRML-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCCC24COC4)C3)cc1 ZINC001255142969 1106189441 /nfs/dbraw/zinc/18/94/41/1106189441.db2.gz HQKJDSUHADCRML-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP F[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140009 1106189581 /nfs/dbraw/zinc/18/95/81/1106189581.db2.gz HFQLTRLWFUEAHR-MJUPKGCFSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140009 1106189583 /nfs/dbraw/zinc/18/95/83/1106189583.db2.gz HFQLTRLWFUEAHR-MJUPKGCFSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140009 1106189585 /nfs/dbraw/zinc/18/95/85/1106189585.db2.gz HFQLTRLWFUEAHR-MJUPKGCFSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140009 1106189588 /nfs/dbraw/zinc/18/95/88/1106189588.db2.gz HFQLTRLWFUEAHR-MJUPKGCFSA-N 2 2 314.448 3.472 20 0 DGADLP FC(F)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149432 1106190781 /nfs/dbraw/zinc/19/07/81/1106190781.db2.gz JESVPFOGYIPIAM-BJWYYQGGSA-N 2 2 306.400 3.379 20 0 DGADLP FC(F)C1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149432 1106190784 /nfs/dbraw/zinc/19/07/84/1106190784.db2.gz JESVPFOGYIPIAM-BJWYYQGGSA-N 2 2 306.400 3.379 20 0 DGADLP CC[C@H]1COCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147132 1106191031 /nfs/dbraw/zinc/19/10/31/1106191031.db2.gz MMNDEOXCDHFMHC-VNTMZGSJSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@H]1COCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147132 1106191033 /nfs/dbraw/zinc/19/10/33/1106191033.db2.gz MMNDEOXCDHFMHC-VNTMZGSJSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@H]1COCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255147132 1106191037 /nfs/dbraw/zinc/19/10/37/1106191037.db2.gz MMNDEOXCDHFMHC-VNTMZGSJSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@H]1COCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255147132 1106191040 /nfs/dbraw/zinc/19/10/40/1106191040.db2.gz MMNDEOXCDHFMHC-VNTMZGSJSA-N 2 2 314.473 3.293 20 0 DGADLP CCCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001255328121 1106224317 /nfs/dbraw/zinc/22/43/17/1106224317.db2.gz GJOUBDAEMNGWDO-QGZVFWFLSA-N 2 2 318.509 3.429 20 0 DGADLP CCCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001255328121 1106224320 /nfs/dbraw/zinc/22/43/20/1106224320.db2.gz GJOUBDAEMNGWDO-QGZVFWFLSA-N 2 2 318.509 3.429 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001255639454 1106282049 /nfs/dbraw/zinc/28/20/49/1106282049.db2.gz URMSYZRXEMZGFM-GFCCVEGCSA-N 2 2 301.356 3.229 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccn1 ZINC001255948311 1106347173 /nfs/dbraw/zinc/34/71/73/1106347173.db2.gz JJAWSUOTSIIKBK-GFCCVEGCSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ncccc1OC)C1CC1 ZINC001255953489 1106348819 /nfs/dbraw/zinc/34/88/19/1106348819.db2.gz RRMPXSPDYBQZOF-WMLDXEAASA-N 2 2 305.466 3.251 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001255957230 1106349676 /nfs/dbraw/zinc/34/96/76/1106349676.db2.gz QAMCUJTZICGMAC-GJZGRUSLSA-N 2 2 314.470 3.133 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001255957230 1106349681 /nfs/dbraw/zinc/34/96/81/1106349681.db2.gz QAMCUJTZICGMAC-GJZGRUSLSA-N 2 2 314.470 3.133 20 0 DGADLP Clc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)nc1 ZINC001256071658 1106364004 /nfs/dbraw/zinc/36/40/04/1106364004.db2.gz JRDPZSTZUSFMHW-QGZVFWFLSA-N 2 2 305.853 3.403 20 0 DGADLP CCC(CC)[N@@H+](C1CC[NH+](C2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256072620 1106365028 /nfs/dbraw/zinc/36/50/28/1106365028.db2.gz SHFUMNSTRDWLNX-RZDIXWSQSA-N 3 2 307.526 3.374 20 0 DGADLP CCC(CC)[N@H+](C1CC[NH+](C2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256072620 1106365031 /nfs/dbraw/zinc/36/50/31/1106365031.db2.gz SHFUMNSTRDWLNX-RZDIXWSQSA-N 3 2 307.526 3.374 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256080785 1106366543 /nfs/dbraw/zinc/36/65/43/1106366543.db2.gz BHUJJTDBMHGYIZ-OAHLLOKOSA-N 2 2 302.462 3.185 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256080785 1106366546 /nfs/dbraw/zinc/36/65/46/1106366546.db2.gz BHUJJTDBMHGYIZ-OAHLLOKOSA-N 2 2 302.462 3.185 20 0 DGADLP c1ccc2c(c1)CC1(CC[NH+](C3CC[NH+](C4CC4)CC3)CC1)O2 ZINC001256080972 1106366849 /nfs/dbraw/zinc/36/68/49/1106366849.db2.gz JZFPQRJNFVEBQA-UHFFFAOYSA-N 2 2 312.457 3.083 20 0 DGADLP C[NH+]1CCC([N@@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001256208250 1106390607 /nfs/dbraw/zinc/39/06/07/1106390607.db2.gz AXJMKEJVDWDXAX-KRWDZBQOSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC([N@H+]2CCC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001256208250 1106390613 /nfs/dbraw/zinc/39/06/13/1106390613.db2.gz AXJMKEJVDWDXAX-KRWDZBQOSA-N 2 2 308.853 3.277 20 0 DGADLP CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](C)CC1 ZINC001256211274 1106391229 /nfs/dbraw/zinc/39/12/29/1106391229.db2.gz SYOGAGCUXMAOQZ-INIZCTEOSA-N 2 2 317.477 3.128 20 0 DGADLP CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](C)CC1 ZINC001256211274 1106391231 /nfs/dbraw/zinc/39/12/31/1106391231.db2.gz SYOGAGCUXMAOQZ-INIZCTEOSA-N 2 2 317.477 3.128 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001256324369 1106406121 /nfs/dbraw/zinc/40/61/21/1106406121.db2.gz LDNSMAHOZDBWIX-AEFFLSMTSA-N 2 2 317.477 3.116 20 0 DGADLP CC(C)CC[C@@H](C)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001256367698 1106410970 /nfs/dbraw/zinc/41/09/70/1106410970.db2.gz IEBWSHNSGYDBCU-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC(C)CC[C@@H](C)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001256367698 1106410974 /nfs/dbraw/zinc/41/09/74/1106410974.db2.gz IEBWSHNSGYDBCU-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC(C)CC[C@@H](C)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001256367698 1106410975 /nfs/dbraw/zinc/41/09/75/1106410975.db2.gz IEBWSHNSGYDBCU-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC(C)CC[C@@H](C)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001256367698 1106410977 /nfs/dbraw/zinc/41/09/77/1106410977.db2.gz IEBWSHNSGYDBCU-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522963 1106432786 /nfs/dbraw/zinc/43/27/86/1106432786.db2.gz LAOLGBMGLCMZQY-IEBWSBKVSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522963 1106432790 /nfs/dbraw/zinc/43/27/90/1106432790.db2.gz LAOLGBMGLCMZQY-IEBWSBKVSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522963 1106432791 /nfs/dbraw/zinc/43/27/91/1106432791.db2.gz LAOLGBMGLCMZQY-IEBWSBKVSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522963 1106432794 /nfs/dbraw/zinc/43/27/94/1106432794.db2.gz LAOLGBMGLCMZQY-IEBWSBKVSA-N 3 2 303.494 3.099 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256528616 1106434196 /nfs/dbraw/zinc/43/41/96/1106434196.db2.gz IPHFFXPAFSGDLA-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256528616 1106434201 /nfs/dbraw/zinc/43/42/01/1106434201.db2.gz IPHFFXPAFSGDLA-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256528615 1106434215 /nfs/dbraw/zinc/43/42/15/1106434215.db2.gz IPHFFXPAFSGDLA-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256528615 1106434221 /nfs/dbraw/zinc/43/42/21/1106434221.db2.gz IPHFFXPAFSGDLA-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCOCC23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552831 1106440818 /nfs/dbraw/zinc/44/08/18/1106440818.db2.gz DZINTWQACFYLHO-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCOCC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552831 1106440821 /nfs/dbraw/zinc/44/08/21/1106440821.db2.gz DZINTWQACFYLHO-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552831 1106440823 /nfs/dbraw/zinc/44/08/23/1106440823.db2.gz DZINTWQACFYLHO-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552831 1106440827 /nfs/dbraw/zinc/44/08/27/1106440827.db2.gz DZINTWQACFYLHO-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC3(CSC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561175 1106445232 /nfs/dbraw/zinc/44/52/32/1106445232.db2.gz VYWPBMUKWGHTJR-NVXWUHKLSA-N 2 2 302.487 3.088 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC3(CSC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561175 1106445235 /nfs/dbraw/zinc/44/52/35/1106445235.db2.gz VYWPBMUKWGHTJR-NVXWUHKLSA-N 2 2 302.487 3.088 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256565613 1106446600 /nfs/dbraw/zinc/44/66/00/1106446600.db2.gz KIZTVAKDIUHMSD-UHFFFAOYSA-N 3 2 309.542 3.492 20 0 DGADLP Cc1c(F)cccc1[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256566498 1106446690 /nfs/dbraw/zinc/44/66/90/1106446690.db2.gz UUPBZMMFIKQVBN-QGZVFWFLSA-N 2 2 308.441 3.020 20 0 DGADLP CCc1nc(C2CC[NH+](C3CC[NH+](C(C)(C)C)CC3)CC2)no1 ZINC001256575680 1106448264 /nfs/dbraw/zinc/44/82/64/1106448264.db2.gz UBXIDZVOTYNLQH-UHFFFAOYSA-N 2 2 320.481 3.074 20 0 DGADLP COc1cccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)c1OC ZINC001256575333 1106448278 /nfs/dbraw/zinc/44/82/78/1106448278.db2.gz LUYKUUBWXDBAAA-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)c1OC ZINC001256575333 1106448281 /nfs/dbraw/zinc/44/82/81/1106448281.db2.gz LUYKUUBWXDBAAA-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001256576621 1106449487 /nfs/dbraw/zinc/44/94/87/1106449487.db2.gz OBTBNCJAVADWKX-KRWDZBQOSA-N 2 2 314.473 3.454 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001256576621 1106449490 /nfs/dbraw/zinc/44/94/90/1106449490.db2.gz OBTBNCJAVADWKX-KRWDZBQOSA-N 2 2 314.473 3.454 20 0 DGADLP F[C@@H]1CSC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256609975 1106453889 /nfs/dbraw/zinc/45/38/89/1106453889.db2.gz VXFIMBUJNAYAMV-INIZCTEOSA-N 2 2 320.477 3.180 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001256637141 1106459375 /nfs/dbraw/zinc/45/93/75/1106459375.db2.gz QHJOPKDUGUEQDT-AEFFLSMTSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)C2 ZINC001256641079 1106460805 /nfs/dbraw/zinc/46/08/05/1106460805.db2.gz KETMQBBSHUVSLP-IRXDYDNUSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)C2 ZINC001256641079 1106460808 /nfs/dbraw/zinc/46/08/08/1106460808.db2.gz KETMQBBSHUVSLP-IRXDYDNUSA-N 2 2 316.489 3.263 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001256731622 1106475221 /nfs/dbraw/zinc/47/52/21/1106475221.db2.gz IWBLTOAACJWSQL-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001256731622 1106475224 /nfs/dbraw/zinc/47/52/24/1106475224.db2.gz IWBLTOAACJWSQL-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001257204758 1106551074 /nfs/dbraw/zinc/55/10/74/1106551074.db2.gz OVWUSNNJLHRSNI-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001257212871 1106552643 /nfs/dbraw/zinc/55/26/43/1106552643.db2.gz BGVIBWFQMALYOX-UHFFFAOYSA-N 2 2 315.505 3.298 20 0 DGADLP Cc1ccccc1CN1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC001257211413 1106552751 /nfs/dbraw/zinc/55/27/51/1106552751.db2.gz JWQFRURWZOMEAR-FQEVSTJZSA-N 2 2 315.505 3.032 20 0 DGADLP CCC[C@H](CC)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257260620 1106558341 /nfs/dbraw/zinc/55/83/41/1106558341.db2.gz QVEYRYXZWGYPIS-QYZOEREBSA-N 2 2 301.478 3.414 20 0 DGADLP CCC[C@H](CC)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257260620 1106558344 /nfs/dbraw/zinc/55/83/44/1106558344.db2.gz QVEYRYXZWGYPIS-QYZOEREBSA-N 2 2 301.478 3.414 20 0 DGADLP CCC[C@H](CC)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257260620 1106558346 /nfs/dbraw/zinc/55/83/46/1106558346.db2.gz QVEYRYXZWGYPIS-QYZOEREBSA-N 2 2 301.478 3.414 20 0 DGADLP CCC[C@H](CC)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257260620 1106558347 /nfs/dbraw/zinc/55/83/47/1106558347.db2.gz QVEYRYXZWGYPIS-QYZOEREBSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257420043 1106585683 /nfs/dbraw/zinc/58/56/83/1106585683.db2.gz DETUUTLWRSFSRL-LNLFQRSKSA-N 2 2 301.478 3.414 20 0 DGADLP C[NH+](C)Cc1nc(CSCC[NH2+]C2CCCCC2)cs1 ZINC001257449457 1106592171 /nfs/dbraw/zinc/59/21/71/1106592171.db2.gz BANDNHNJASTSRR-UHFFFAOYSA-N 2 2 313.536 3.360 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509770 1106599572 /nfs/dbraw/zinc/59/95/72/1106599572.db2.gz JZFKRKWBZIBCGJ-UHOSZYNNSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509770 1106599565 /nfs/dbraw/zinc/59/95/65/1106599565.db2.gz JZFKRKWBZIBCGJ-UHOSZYNNSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509770 1106599567 /nfs/dbraw/zinc/59/95/67/1106599567.db2.gz JZFKRKWBZIBCGJ-UHOSZYNNSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257509770 1106599570 /nfs/dbraw/zinc/59/95/70/1106599570.db2.gz JZFKRKWBZIBCGJ-UHOSZYNNSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001257513886 1106600877 /nfs/dbraw/zinc/60/08/77/1106600877.db2.gz XXFUVCUHQBBZRQ-QXAKKESOSA-N 2 2 301.478 3.414 20 0 DGADLP Cc1[nH+]cn(C2CCC(OCc3ccccc3)CC2)c1CC[NH3+] ZINC001257822309 1106631436 /nfs/dbraw/zinc/63/14/36/1106631436.db2.gz YHROAEVLODYTIQ-UHFFFAOYSA-N 2 2 313.445 3.393 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257967918 1106652878 /nfs/dbraw/zinc/65/28/78/1106652878.db2.gz CBKOBGWONDZFRE-QGZVFWFLSA-N 2 2 322.880 3.448 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257967918 1106652879 /nfs/dbraw/zinc/65/28/79/1106652879.db2.gz CBKOBGWONDZFRE-QGZVFWFLSA-N 2 2 322.880 3.448 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC001258001640 1106655861 /nfs/dbraw/zinc/65/58/61/1106655861.db2.gz YJAYVXISNQLLQW-QGZVFWFLSA-N 2 2 306.425 3.359 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC001258001639 1106656050 /nfs/dbraw/zinc/65/60/50/1106656050.db2.gz YJAYVXISNQLLQW-KRWDZBQOSA-N 2 2 306.425 3.359 20 0 DGADLP COc1cccc(OC)c1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258006929 1106656569 /nfs/dbraw/zinc/65/65/69/1106656569.db2.gz NSNGYNXNZHBWPA-HNNXBMFYSA-N 2 2 320.477 3.475 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2COc3cc(Cl)ccc32)CC1 ZINC001258007747 1106657341 /nfs/dbraw/zinc/65/73/41/1106657341.db2.gz QUEDYKRZDUJJDF-INIZCTEOSA-N 2 2 308.853 3.484 20 0 DGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC001258011110 1106658238 /nfs/dbraw/zinc/65/82/38/1106658238.db2.gz IRERXDGWRHXFCN-UHFFFAOYSA-N 2 2 315.505 3.237 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001258018537 1106659601 /nfs/dbraw/zinc/65/96/01/1106659601.db2.gz PBBQJAPYMWCTCR-GOSISDBHSA-N 2 2 314.473 3.312 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001258018537 1106659602 /nfs/dbraw/zinc/65/96/02/1106659602.db2.gz PBBQJAPYMWCTCR-GOSISDBHSA-N 2 2 314.473 3.312 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+]C3(c4ccncc4)CC3)CC2)cc1 ZINC001258135098 1106680053 /nfs/dbraw/zinc/68/00/53/1106680053.db2.gz LSGUCKVFSZDBBW-UHFFFAOYSA-N 2 2 321.468 3.367 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+]C3(c4cccnc4)CC3)CC2)cc1 ZINC001258136115 1106680218 /nfs/dbraw/zinc/68/02/18/1106680218.db2.gz HVQSUGJKBDXUTE-UHFFFAOYSA-N 2 2 321.468 3.367 20 0 DGADLP CC1(C)CCC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288622 1106710577 /nfs/dbraw/zinc/71/05/77/1106710577.db2.gz XYAJGFZMTCWBEU-ZIFCJYIRSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288622 1106710583 /nfs/dbraw/zinc/71/05/83/1106710583.db2.gz XYAJGFZMTCWBEU-ZIFCJYIRSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288622 1106710588 /nfs/dbraw/zinc/71/05/88/1106710588.db2.gz XYAJGFZMTCWBEU-ZIFCJYIRSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288622 1106710594 /nfs/dbraw/zinc/71/05/94/1106710594.db2.gz XYAJGFZMTCWBEU-ZIFCJYIRSA-N 2 2 313.489 3.414 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)CC3CC3)CC2)cc1 ZINC001258449037 1106751671 /nfs/dbraw/zinc/75/16/71/1106751671.db2.gz SONXMLYKJATEKD-OAHLLOKOSA-N 2 2 302.462 3.438 20 0 DGADLP CCOC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258503184 1106784563 /nfs/dbraw/zinc/78/45/63/1106784563.db2.gz SFPLAQGOKZLPKR-HNNXBMFYSA-N 2 2 315.417 3.036 20 0 DGADLP CCOC(=O)CC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258503184 1106784577 /nfs/dbraw/zinc/78/45/77/1106784577.db2.gz SFPLAQGOKZLPKR-HNNXBMFYSA-N 2 2 315.417 3.036 20 0 DGADLP C[C@H](Cc1cccnc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001258613695 1106851725 /nfs/dbraw/zinc/85/17/25/1106851725.db2.gz WVMMVZFKHCTCRM-YLJYHZDGSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001258616883 1106853068 /nfs/dbraw/zinc/85/30/68/1106853068.db2.gz CUCBILHZMZUMRR-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001258616883 1106853086 /nfs/dbraw/zinc/85/30/86/1106853086.db2.gz CUCBILHZMZUMRR-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258653754 1106882447 /nfs/dbraw/zinc/88/24/47/1106882447.db2.gz WVHJFHDOVRZXAH-MOPGFXCFSA-N 2 2 316.489 3.241 20 0 DGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258653754 1106882460 /nfs/dbraw/zinc/88/24/60/1106882460.db2.gz WVHJFHDOVRZXAH-MOPGFXCFSA-N 2 2 316.489 3.241 20 0 DGADLP CC[C@@H](C)C[C@@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790132 1106977218 /nfs/dbraw/zinc/97/72/18/1106977218.db2.gz IQWBIPYYCLUIFU-HUUCEWRRSA-N 2 2 316.449 3.492 20 0 DGADLP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790132 1106977225 /nfs/dbraw/zinc/97/72/25/1106977225.db2.gz IQWBIPYYCLUIFU-HUUCEWRRSA-N 2 2 316.449 3.492 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCC[C@H](C)C1)CC2 ZINC001258820798 1107000104 /nfs/dbraw/zinc/00/01/04/1107000104.db2.gz ORFONFOBJKVMBI-JKSUJKDBSA-N 2 2 318.509 3.462 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCC[C@H](C)C1)CC2 ZINC001258820798 1107000118 /nfs/dbraw/zinc/00/01/18/1107000118.db2.gz ORFONFOBJKVMBI-JKSUJKDBSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@H](Cc1ccccc1)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258849987 1107026054 /nfs/dbraw/zinc/02/60/54/1107026054.db2.gz YHOQMAAJWOHMMU-GOSISDBHSA-N 2 2 304.478 3.050 20 0 DGADLP CC[C@H](Cc1ccccc1)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258849987 1107026068 /nfs/dbraw/zinc/02/60/68/1107026068.db2.gz YHOQMAAJWOHMMU-GOSISDBHSA-N 2 2 304.478 3.050 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001322208037 1107569294 /nfs/dbraw/zinc/56/92/94/1107569294.db2.gz DTNFNHRFSYZTJP-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001322208037 1107569301 /nfs/dbraw/zinc/56/93/01/1107569301.db2.gz DTNFNHRFSYZTJP-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)c1ccccc1F ZINC001318604993 1108121001 /nfs/dbraw/zinc/12/10/01/1108121001.db2.gz ROFLGCOGCAGQTO-GFCCVEGCSA-N 2 2 324.359 3.457 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001266000423 1109060216 /nfs/dbraw/zinc/06/02/16/1109060216.db2.gz CJZRWSAPHNEGFR-QGZVFWFLSA-N 2 2 317.477 3.105 20 0 DGADLP CCc1nc(N(CC[NH+](C)C)CC2CCCCC2)cc(C)[nH+]1 ZINC001307074707 1111262434 /nfs/dbraw/zinc/26/24/34/1111262434.db2.gz CXNDNNQUIIEZIH-UHFFFAOYSA-N 2 2 304.482 3.296 20 0 DGADLP C[NH+](C)CC(C)(C)[NH2+]CCCCCCNC(=O)OC(C)(C)C ZINC001307819239 1111343510 /nfs/dbraw/zinc/34/35/10/1111343510.db2.gz UPJDLQAAZDRHSP-UHFFFAOYSA-N 2 2 315.502 3.001 20 0 DGADLP C[NH+](C)C1(C)CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001308004564 1111365792 /nfs/dbraw/zinc/36/57/92/1111365792.db2.gz VCQAABSYXWNSIH-UHFFFAOYSA-N 2 2 314.832 3.274 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001308181700 1111391889 /nfs/dbraw/zinc/39/18/89/1111391889.db2.gz CPDCWEWBRWHKHO-UHFFFAOYSA-N 2 2 304.356 3.105 20 0 DGADLP CCc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCO2 ZINC001308367518 1111422436 /nfs/dbraw/zinc/42/24/36/1111422436.db2.gz YYHMNZUWNNQTBS-KRWDZBQOSA-N 2 2 311.429 3.323 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C4CC4)c3)CC2)c1 ZINC001308585547 1111447197 /nfs/dbraw/zinc/44/71/97/1111447197.db2.gz UECPMYKONFQAAY-UHFFFAOYSA-N 2 2 323.440 3.290 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1nccc2c1CCCC2 ZINC001308600637 1111450192 /nfs/dbraw/zinc/45/01/92/1111450192.db2.gz MGRIFOOZFQPMJL-QGZVFWFLSA-N 2 2 301.478 3.267 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1nccc2c1CCCC2 ZINC001308600637 1111450194 /nfs/dbraw/zinc/45/01/94/1111450194.db2.gz MGRIFOOZFQPMJL-QGZVFWFLSA-N 2 2 301.478 3.267 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1nccc2c1CCCC2 ZINC001308600637 1111450197 /nfs/dbraw/zinc/45/01/97/1111450197.db2.gz MGRIFOOZFQPMJL-QGZVFWFLSA-N 2 2 301.478 3.267 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1nccc2c1CCCC2 ZINC001308600637 1111450199 /nfs/dbraw/zinc/45/01/99/1111450199.db2.gz MGRIFOOZFQPMJL-QGZVFWFLSA-N 2 2 301.478 3.267 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCC1 ZINC001308696536 1111462189 /nfs/dbraw/zinc/46/21/89/1111462189.db2.gz RUDVJTCXVMEONQ-IAGOWNOFSA-N 2 2 302.462 3.306 20 0 DGADLP COC1C[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308807463 1111478050 /nfs/dbraw/zinc/47/80/50/1111478050.db2.gz UACVGVXHYSGIHX-HXUWFJFHSA-N 2 2 316.489 3.255 20 0 DGADLP COC1C[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308807463 1111478051 /nfs/dbraw/zinc/47/80/51/1111478051.db2.gz UACVGVXHYSGIHX-HXUWFJFHSA-N 2 2 316.489 3.255 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+][C@@H](C)COC(C)=O)c1ccccc1 ZINC001308982710 1111504524 /nfs/dbraw/zinc/50/45/24/1111504524.db2.gz WCAZERAVMHRDEJ-YJBOKZPZSA-N 2 2 306.450 3.001 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000278365525 214118849 /nfs/dbraw/zinc/11/88/49/214118849.db2.gz DCWAJHCGJWUIOC-HXUWFJFHSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000278365525 214118851 /nfs/dbraw/zinc/11/88/51/214118851.db2.gz DCWAJHCGJWUIOC-HXUWFJFHSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]3C3CC3)CC2)nc1 ZINC000414201125 230709388 /nfs/dbraw/zinc/70/93/88/230709388.db2.gz SNAPTFCXSRBEGY-YLJYHZDGSA-N 2 2 313.489 3.462 20 0 DGADLP Clc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)n1 ZINC000278573515 214247216 /nfs/dbraw/zinc/24/72/16/214247216.db2.gz JKGPMSZVEYJPAJ-UHFFFAOYSA-N 2 2 311.216 3.422 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(Br)cc1)Cn1cc[nH+]c1 ZINC000062254619 432003306 /nfs/dbraw/zinc/00/33/06/432003306.db2.gz YRAZUSRSCQABPF-GFCCVEGCSA-N 2 2 308.223 3.072 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000278757971 214379135 /nfs/dbraw/zinc/37/91/35/214379135.db2.gz SSMNCDZDXUXLDE-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302059707 529534894 /nfs/dbraw/zinc/53/48/94/529534894.db2.gz SIISJDNPFBDJCZ-OAHLLOKOSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302059707 529534897 /nfs/dbraw/zinc/53/48/97/529534897.db2.gz SIISJDNPFBDJCZ-OAHLLOKOSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000430588094 529542732 /nfs/dbraw/zinc/54/27/32/529542732.db2.gz BXIHUBJLWAQEFP-UHFFFAOYSA-N 2 2 302.462 3.092 20 0 DGADLP CCc1ccc(-c2noc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000430568965 529577960 /nfs/dbraw/zinc/57/79/60/529577960.db2.gz LBIABRJHTPWIAF-MRXNPFEDSA-N 2 2 316.449 3.104 20 0 DGADLP CCc1ccc(-c2noc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000430568965 529577966 /nfs/dbraw/zinc/57/79/66/529577966.db2.gz LBIABRJHTPWIAF-MRXNPFEDSA-N 2 2 316.449 3.104 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000090003741 185276327 /nfs/dbraw/zinc/27/63/27/185276327.db2.gz IWTXDUVFHGVRBV-CYBMUJFWSA-N 2 2 303.372 3.407 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000090003741 185276328 /nfs/dbraw/zinc/27/63/28/185276328.db2.gz IWTXDUVFHGVRBV-CYBMUJFWSA-N 2 2 303.372 3.407 20 0 DGADLP C[C@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)Cn1cc[nH+]c1 ZINC000092375288 185314454 /nfs/dbraw/zinc/31/44/54/185314454.db2.gz ASLQVMWPUXJFHE-CQSZACIVSA-N 2 2 312.442 3.433 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000422727792 282249705 /nfs/dbraw/zinc/24/97/05/282249705.db2.gz HXPUJRWFVFIZOQ-GBESFXJTSA-N 2 2 313.420 3.163 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000297523203 529760996 /nfs/dbraw/zinc/76/09/96/529760996.db2.gz OPEXOTPURVCBRQ-GOSISDBHSA-N 2 2 311.429 3.485 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000297523203 529760997 /nfs/dbraw/zinc/76/09/97/529760997.db2.gz OPEXOTPURVCBRQ-GOSISDBHSA-N 2 2 311.429 3.485 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139843 529802009 /nfs/dbraw/zinc/80/20/09/529802009.db2.gz RLXIDVOHTIBWGK-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139843 529802010 /nfs/dbraw/zinc/80/20/10/529802010.db2.gz RLXIDVOHTIBWGK-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139843 529802011 /nfs/dbraw/zinc/80/20/11/529802011.db2.gz RLXIDVOHTIBWGK-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139843 529802012 /nfs/dbraw/zinc/80/20/12/529802012.db2.gz RLXIDVOHTIBWGK-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386560 529802373 /nfs/dbraw/zinc/80/23/73/529802373.db2.gz COKZDXIVSFFFRH-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386560 529802375 /nfs/dbraw/zinc/80/23/75/529802375.db2.gz COKZDXIVSFFFRH-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386560 529802377 /nfs/dbraw/zinc/80/23/77/529802377.db2.gz COKZDXIVSFFFRH-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386560 529802378 /nfs/dbraw/zinc/80/23/78/529802378.db2.gz COKZDXIVSFFFRH-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)n1C ZINC000414279448 529809320 /nfs/dbraw/zinc/80/93/20/529809320.db2.gz YYPOUYBJGBEUKS-UHFFFAOYSA-N 2 2 314.477 3.116 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)n1C ZINC000419703071 529811050 /nfs/dbraw/zinc/81/10/50/529811050.db2.gz CGPDRLTYSMAVRI-HOCLYGCPSA-N 2 2 316.424 3.051 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016021 529811736 /nfs/dbraw/zinc/81/17/36/529811736.db2.gz AKLQWVKKVGAARK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016021 529811738 /nfs/dbraw/zinc/81/17/38/529811738.db2.gz AKLQWVKKVGAARK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016021 529811739 /nfs/dbraw/zinc/81/17/39/529811739.db2.gz AKLQWVKKVGAARK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016021 529811740 /nfs/dbraw/zinc/81/17/40/529811740.db2.gz AKLQWVKKVGAARK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139844 529811918 /nfs/dbraw/zinc/81/19/18/529811918.db2.gz RLXIDVOHTIBWGK-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139844 529811919 /nfs/dbraw/zinc/81/19/19/529811919.db2.gz RLXIDVOHTIBWGK-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139844 529811921 /nfs/dbraw/zinc/81/19/21/529811921.db2.gz RLXIDVOHTIBWGK-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cscc3C(F)(F)F)C2)C1 ZINC000430139844 529811923 /nfs/dbraw/zinc/81/19/23/529811923.db2.gz RLXIDVOHTIBWGK-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+](CC[NH3+])Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000415107152 529906707 /nfs/dbraw/zinc/90/67/07/529906707.db2.gz KMPVQPDFGXCJJM-UHFFFAOYSA-N 2 2 320.868 3.349 20 0 DGADLP C[N@@H+](CC[NH3+])Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000415107152 529906708 /nfs/dbraw/zinc/90/67/08/529906708.db2.gz KMPVQPDFGXCJJM-UHFFFAOYSA-N 2 2 320.868 3.349 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628101 530001637 /nfs/dbraw/zinc/00/16/37/530001637.db2.gz NXZYEXXLJIFLFD-LSDHHAIUSA-N 2 2 314.433 3.037 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628101 530001638 /nfs/dbraw/zinc/00/16/38/530001638.db2.gz NXZYEXXLJIFLFD-LSDHHAIUSA-N 2 2 314.433 3.037 20 0 DGADLP C[N@H+](Cc1csc(CCc2ccccc2)n1)CC(C)(C)C[NH3+] ZINC000430584772 530019521 /nfs/dbraw/zinc/01/95/21/530019521.db2.gz ZTQPUSCOAXBNQW-UHFFFAOYSA-N 2 2 317.502 3.345 20 0 DGADLP C[N@@H+](Cc1csc(CCc2ccccc2)n1)CC(C)(C)C[NH3+] ZINC000430584772 530019522 /nfs/dbraw/zinc/01/95/22/530019522.db2.gz ZTQPUSCOAXBNQW-UHFFFAOYSA-N 2 2 317.502 3.345 20 0 DGADLP C[N@H+](Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435438765 530021275 /nfs/dbraw/zinc/02/12/75/530021275.db2.gz RCMFZPIZKDANED-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435438765 530021277 /nfs/dbraw/zinc/02/12/77/530021277.db2.gz RCMFZPIZKDANED-OAHLLOKOSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724356 530058819 /nfs/dbraw/zinc/05/88/19/530058819.db2.gz YNVORBVOQIUNAR-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724356 530058820 /nfs/dbraw/zinc/05/88/20/530058820.db2.gz YNVORBVOQIUNAR-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724356 530058821 /nfs/dbraw/zinc/05/88/21/530058821.db2.gz YNVORBVOQIUNAR-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724356 530058822 /nfs/dbraw/zinc/05/88/22/530058822.db2.gz YNVORBVOQIUNAR-IUODEOHRSA-N 2 2 319.449 3.352 20 0 DGADLP Fc1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272709568 210112946 /nfs/dbraw/zinc/11/29/46/210112946.db2.gz XEEQUBXJIXXJCS-UHFFFAOYSA-N 2 2 304.331 3.332 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000130095237 432014770 /nfs/dbraw/zinc/01/47/70/432014770.db2.gz VBHJQIZEDWSVBT-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000130095237 432014773 /nfs/dbraw/zinc/01/47/73/432014773.db2.gz VBHJQIZEDWSVBT-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489824134 535043085 /nfs/dbraw/zinc/04/30/85/535043085.db2.gz IGGRNZYNDWNEFC-QRQLOZEOSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489824134 535043093 /nfs/dbraw/zinc/04/30/93/535043093.db2.gz IGGRNZYNDWNEFC-QRQLOZEOSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CCO1 ZINC000066561682 432017531 /nfs/dbraw/zinc/01/75/31/432017531.db2.gz GNMAJPFITFBCDQ-OXQOHEQNSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CCO1 ZINC000066561682 432017533 /nfs/dbraw/zinc/01/75/33/432017533.db2.gz GNMAJPFITFBCDQ-OXQOHEQNSA-N 2 2 314.473 3.249 20 0 DGADLP COC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000286889454 219211528 /nfs/dbraw/zinc/21/15/28/219211528.db2.gz IVINRKBOGSOTAV-CQSZACIVSA-N 2 2 311.788 3.043 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000181989163 199371963 /nfs/dbraw/zinc/37/19/63/199371963.db2.gz LLLJJAWRQBLRCI-JKSUJKDBSA-N 2 2 306.450 3.244 20 0 DGADLP Clc1ccc2c(NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c2c1 ZINC000066745947 432020240 /nfs/dbraw/zinc/02/02/40/432020240.db2.gz VKXCVJHIQNDCSH-CQSZACIVSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1ccc2c(NC[C@@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c2c1 ZINC000066745947 432020242 /nfs/dbraw/zinc/02/02/42/432020242.db2.gz VKXCVJHIQNDCSH-CQSZACIVSA-N 2 2 317.820 3.163 20 0 DGADLP C[N@H+](CCCOc1cccc(Cl)c1)CCCn1cc[nH+]c1 ZINC000130366217 432021927 /nfs/dbraw/zinc/02/19/27/432021927.db2.gz VUZOMIFLRZOSMX-UHFFFAOYSA-N 2 2 307.825 3.328 20 0 DGADLP C[N@@H+](CCCOc1cccc(Cl)c1)CCCn1cc[nH+]c1 ZINC000130366217 432021930 /nfs/dbraw/zinc/02/19/30/432021930.db2.gz VUZOMIFLRZOSMX-UHFFFAOYSA-N 2 2 307.825 3.328 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287087196 219303867 /nfs/dbraw/zinc/30/38/67/219303867.db2.gz PCKVGSIKMFVBET-UZLBHIALSA-N 2 2 321.424 3.127 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150805304 186067435 /nfs/dbraw/zinc/06/74/35/186067435.db2.gz OFUCJXVDLNHOPH-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150805304 186067436 /nfs/dbraw/zinc/06/74/36/186067436.db2.gz OFUCJXVDLNHOPH-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1Br ZINC000155670915 186101160 /nfs/dbraw/zinc/10/11/60/186101160.db2.gz SXNRWTJSGNANKE-JTQLQIEISA-N 2 2 312.186 3.136 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000155911097 186122345 /nfs/dbraw/zinc/12/23/45/186122345.db2.gz ZBTMOGQRFMODGY-INIZCTEOSA-N 2 2 323.444 3.136 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268756452 186380557 /nfs/dbraw/zinc/38/05/57/186380557.db2.gz XSEPQYLUYBNFTO-PKOBYXMFSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756452 186380559 /nfs/dbraw/zinc/38/05/59/186380559.db2.gz XSEPQYLUYBNFTO-PKOBYXMFSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277247391 213393971 /nfs/dbraw/zinc/39/39/71/213393971.db2.gz QAVSAWXNNYLZND-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277247391 213393973 /nfs/dbraw/zinc/39/39/73/213393973.db2.gz QAVSAWXNNYLZND-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)Cn1cc[nH+]c1 ZINC000172116615 198041952 /nfs/dbraw/zinc/04/19/52/198041952.db2.gz FHVALEJNXLGPJY-NSHDSACASA-N 2 2 315.314 3.467 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618575 198232397 /nfs/dbraw/zinc/23/23/97/198232397.db2.gz UYWAVFCCAJQZHX-MRXNPFEDSA-N 2 2 317.477 3.093 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000173617165 198232408 /nfs/dbraw/zinc/23/24/08/198232408.db2.gz ZWZFIRXDKOVCQP-ZDUSSCGKSA-N 2 2 323.868 3.129 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(Br)cs1)Cn1cc[nH+]c1 ZINC000067500615 432032148 /nfs/dbraw/zinc/03/21/48/432032148.db2.gz YMHNVROROFDORF-SNVBAGLBSA-N 2 2 314.252 3.133 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000174212448 198306213 /nfs/dbraw/zinc/30/62/13/198306213.db2.gz NXSOQXXBQRZHTM-AWEZNQCLSA-N 2 2 320.868 3.151 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025691 213247961 /nfs/dbraw/zinc/24/79/61/213247961.db2.gz AUAZKULWZPZVFG-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025691 213247957 /nfs/dbraw/zinc/24/79/57/213247957.db2.gz AUAZKULWZPZVFG-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2sccc2Br)CC1 ZINC000277016263 213240837 /nfs/dbraw/zinc/24/08/37/213240837.db2.gz ABFHDGWQTCCCPH-NSHDSACASA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2sccc2Br)CC1 ZINC000277016263 213240839 /nfs/dbraw/zinc/24/08/39/213240839.db2.gz ABFHDGWQTCCCPH-NSHDSACASA-N 2 2 317.296 3.427 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(C)c1 ZINC000164516648 432049212 /nfs/dbraw/zinc/04/92/12/432049212.db2.gz GPNXHTRWJRTDKB-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)o1 ZINC000080238326 192015513 /nfs/dbraw/zinc/01/55/13/192015513.db2.gz DZPICZCFTLLGOE-KRWDZBQOSA-N 2 2 311.385 3.251 20 0 DGADLP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000179416995 432057085 /nfs/dbraw/zinc/05/70/85/432057085.db2.gz RIFDKUQHUKPSIV-GJPUVDBCSA-N 2 2 314.473 3.134 20 0 DGADLP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000179416995 432057086 /nfs/dbraw/zinc/05/70/86/432057086.db2.gz RIFDKUQHUKPSIV-GJPUVDBCSA-N 2 2 314.473 3.134 20 0 DGADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000166090591 432059063 /nfs/dbraw/zinc/05/90/63/432059063.db2.gz ZKICPMIYUOODGN-HKUYNNGSSA-N 2 2 302.462 3.230 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271726 432059612 /nfs/dbraw/zinc/05/96/12/432059612.db2.gz IJLSEVAUJMQOKU-JLJPHGGASA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271726 432059615 /nfs/dbraw/zinc/05/96/15/432059615.db2.gz IJLSEVAUJMQOKU-JLJPHGGASA-N 2 2 318.461 3.370 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CCC)c1 ZINC000236948970 202087948 /nfs/dbraw/zinc/08/79/48/202087948.db2.gz RJBMTRJYARPJSZ-MRXNPFEDSA-N 2 2 314.433 3.416 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCC2CC2)c1 ZINC000166906988 432062730 /nfs/dbraw/zinc/06/27/30/432062730.db2.gz JVRZWTNHEKPCOP-CRAIPNDOSA-N 2 2 302.462 3.356 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OCC2CC2)c1 ZINC000166906988 432062731 /nfs/dbraw/zinc/06/27/31/432062731.db2.gz JVRZWTNHEKPCOP-CRAIPNDOSA-N 2 2 302.462 3.356 20 0 DGADLP CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2[nH+]ccn21 ZINC000179604582 432064835 /nfs/dbraw/zinc/06/48/35/432064835.db2.gz DYAXAEQKHRMPMR-UHFFFAOYSA-N 2 2 309.369 3.085 20 0 DGADLP CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2[nH+]ccn21 ZINC000179604582 432064837 /nfs/dbraw/zinc/06/48/37/432064837.db2.gz DYAXAEQKHRMPMR-UHFFFAOYSA-N 2 2 309.369 3.085 20 0 DGADLP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000179655648 432066270 /nfs/dbraw/zinc/06/62/70/432066270.db2.gz TZRCUZUYTBWAIY-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000179655648 432066273 /nfs/dbraw/zinc/06/62/73/432066273.db2.gz TZRCUZUYTBWAIY-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP Fc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC(F)F ZINC000167997859 432067813 /nfs/dbraw/zinc/06/78/13/432067813.db2.gz RGYMPPVABLBVGE-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP Cc1ccc(Cc2noc([C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n2)c[nH+]1 ZINC000276852911 213133874 /nfs/dbraw/zinc/13/38/74/213133874.db2.gz BIVDVVWWYRJKSK-HZSPNIEDSA-N 2 2 300.406 3.298 20 0 DGADLP Cc1ccc(Cc2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c[nH+]1 ZINC000276852911 213133875 /nfs/dbraw/zinc/13/38/75/213133875.db2.gz BIVDVVWWYRJKSK-HZSPNIEDSA-N 2 2 300.406 3.298 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617350 432069434 /nfs/dbraw/zinc/06/94/34/432069434.db2.gz NEYUKOXRWKNFFK-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617350 432069436 /nfs/dbraw/zinc/06/94/36/432069436.db2.gz NEYUKOXRWKNFFK-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655553 432070250 /nfs/dbraw/zinc/07/02/50/432070250.db2.gz UYSJQQJHNFYCSQ-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655553 432070252 /nfs/dbraw/zinc/07/02/52/432070252.db2.gz UYSJQQJHNFYCSQ-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP Brc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000276820629 213114908 /nfs/dbraw/zinc/11/49/08/213114908.db2.gz ZHCXTXWGPHKQEX-UHFFFAOYSA-N 2 2 310.195 3.145 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000133899563 432071335 /nfs/dbraw/zinc/07/13/35/432071335.db2.gz ABCMNBLVIKBWEB-DNVCBOLYSA-N 2 2 304.478 3.256 20 0 DGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OC ZINC000179836136 199085678 /nfs/dbraw/zinc/08/56/78/199085678.db2.gz KGWLPPRAIGFVAR-UHFFFAOYSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000179837853 199086906 /nfs/dbraw/zinc/08/69/06/199086906.db2.gz XUPORKMBFUSEQV-UHFFFAOYSA-N 2 2 319.468 3.388 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180230332 199132849 /nfs/dbraw/zinc/13/28/49/199132849.db2.gz OURYSXDPERKOFS-HNNXBMFYSA-N 2 2 321.896 3.324 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180230332 199132851 /nfs/dbraw/zinc/13/28/51/199132851.db2.gz OURYSXDPERKOFS-HNNXBMFYSA-N 2 2 321.896 3.324 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2sccc2Br)[C@H](C)C1 ZINC000180479476 199163965 /nfs/dbraw/zinc/16/39/65/199163965.db2.gz OQRZUYZJABINSP-PWSUYJOCSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2sccc2Br)[C@H](C)C1 ZINC000180479476 199163967 /nfs/dbraw/zinc/16/39/67/199163967.db2.gz OQRZUYZJABINSP-PWSUYJOCSA-N 2 2 317.296 3.331 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)C1CC[NH2+]CC1 ZINC000237400480 202254748 /nfs/dbraw/zinc/25/47/48/202254748.db2.gz ZWZDRHSHSJBIFR-ZDUSSCGKSA-N 2 2 312.417 3.041 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000181106773 199253483 /nfs/dbraw/zinc/25/34/83/199253483.db2.gz MSDIBUBHPSAFQA-WDMOLILDSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000181106773 199253485 /nfs/dbraw/zinc/25/34/85/199253485.db2.gz MSDIBUBHPSAFQA-WDMOLILDSA-N 2 2 317.260 3.099 20 0 DGADLP CC[C@@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC[NH2+]1 ZINC000134584695 432081237 /nfs/dbraw/zinc/08/12/37/432081237.db2.gz HKCSOHHPKJRFMU-SFHVURJKSA-N 2 2 311.385 3.345 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415059825 237042315 /nfs/dbraw/zinc/04/23/15/237042315.db2.gz XOYPSNXOWILYIZ-AEFFLSMTSA-N 2 2 311.429 3.306 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415059825 237042324 /nfs/dbraw/zinc/04/23/24/237042324.db2.gz XOYPSNXOWILYIZ-AEFFLSMTSA-N 2 2 311.429 3.306 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)C1CCCC1 ZINC000415063657 237044211 /nfs/dbraw/zinc/04/42/11/237044211.db2.gz INNAVSLJAJJSAW-HNNXBMFYSA-N 2 2 301.459 3.417 20 0 DGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(F)c1 ZINC000415060904 237047490 /nfs/dbraw/zinc/04/74/90/237047490.db2.gz ZIHLBSCTNXEGLF-ABTXCIMASA-N 2 2 314.379 3.323 20 0 DGADLP Fc1ccccc1OC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415086879 237069308 /nfs/dbraw/zinc/06/93/08/237069308.db2.gz VFGKQCBXSGMNPC-WMZOPIPTSA-N 2 2 314.404 3.287 20 0 DGADLP Clc1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)s2)c1 ZINC000415092477 237071591 /nfs/dbraw/zinc/07/15/91/237071591.db2.gz GBOPEFZAPYWKAD-CQSZACIVSA-N 2 2 322.861 3.147 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC000415132410 237105881 /nfs/dbraw/zinc/10/58/81/237105881.db2.gz UDMURGYTRGQHOJ-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@H]1C[NH3+] ZINC000415132410 237105891 /nfs/dbraw/zinc/10/58/91/237105891.db2.gz UDMURGYTRGQHOJ-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP Cc1ccc([NH2+]C2CCC([NH3+])CC2)c(OC[C@H]2CCCO2)c1 ZINC000415122196 237093397 /nfs/dbraw/zinc/09/33/97/237093397.db2.gz NRKRTRTZZGONGD-UYSNPLJNSA-N 2 2 304.434 3.235 20 0 DGADLP COCC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000134714179 432084326 /nfs/dbraw/zinc/08/43/26/432084326.db2.gz PBETWFLTPVJJGE-UHFFFAOYSA-N 2 2 320.481 3.246 20 0 DGADLP C[C@@H](SCCn1cc[nH+]c1)[C@@H](C)SCCn1cc[nH+]c1 ZINC000188195361 200207736 /nfs/dbraw/zinc/20/77/36/200207736.db2.gz UZUSZKFUJWPZEO-ZIAGYGMSSA-N 2 2 310.492 3.023 20 0 DGADLP C[C@@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCC[NH2+]1 ZINC000237635842 202311933 /nfs/dbraw/zinc/31/19/33/202311933.db2.gz GKBRHFNUHDWLCQ-SFHVURJKSA-N 2 2 311.385 3.345 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422911095 296000845 /nfs/dbraw/zinc/00/08/45/296000845.db2.gz SEESQNFMZPWRIG-WMLDXEAASA-N 2 2 322.880 3.118 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccnc2)cc1 ZINC000422862843 237805421 /nfs/dbraw/zinc/80/54/21/237805421.db2.gz QNHTWRZYJKGXBP-ZZJWQFMZSA-N 2 2 311.404 3.183 20 0 DGADLP Cc1cc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)ccc1F ZINC000423375737 237845203 /nfs/dbraw/zinc/84/52/03/237845203.db2.gz XWWLVXORKJDSNK-MJGOQNOKSA-N 2 2 313.420 3.350 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000423246065 237835173 /nfs/dbraw/zinc/83/51/73/237835173.db2.gz JUEWDECQFGFMKC-ZIAGYGMSSA-N 2 2 306.331 3.381 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423266731 237836719 /nfs/dbraw/zinc/83/67/19/237836719.db2.gz CDESBBNEBNCAFK-UFBFGSQYSA-N 2 2 304.768 3.329 20 0 DGADLP CC(C)OC1CC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000189551895 200420847 /nfs/dbraw/zinc/42/08/47/200420847.db2.gz NNCSWHNZIBXPOL-VNCLNFNDSA-N 2 2 317.477 3.153 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@@H](C)C1 ZINC000281169391 216127953 /nfs/dbraw/zinc/12/79/53/216127953.db2.gz QLFNXTFYTITGGA-ZANVPECISA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@@H](C)C1 ZINC000281169391 216127954 /nfs/dbraw/zinc/12/79/54/216127954.db2.gz QLFNXTFYTITGGA-ZANVPECISA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@@H](C)C1 ZINC000281169390 216128016 /nfs/dbraw/zinc/12/80/16/216128016.db2.gz QLFNXTFYTITGGA-TVQRCGJNSA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@@H](C)C1 ZINC000281169390 216128017 /nfs/dbraw/zinc/12/80/17/216128017.db2.gz QLFNXTFYTITGGA-TVQRCGJNSA-N 2 2 304.331 3.063 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000427889938 238004774 /nfs/dbraw/zinc/00/47/74/238004774.db2.gz IAPHFJLXQBWQIW-AEFFLSMTSA-N 2 2 323.440 3.190 20 0 DGADLP FC(F)[C@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856937 238003895 /nfs/dbraw/zinc/00/38/95/238003895.db2.gz PAVZKMUDNSZSFA-GJZGRUSLSA-N 2 2 305.372 3.054 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000428204088 238011843 /nfs/dbraw/zinc/01/18/43/238011843.db2.gz HZKPLOZADVMGSR-INIZCTEOSA-N 2 2 305.466 3.270 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000428204088 238011844 /nfs/dbraw/zinc/01/18/44/238011844.db2.gz HZKPLOZADVMGSR-INIZCTEOSA-N 2 2 305.466 3.270 20 0 DGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000428204088 238011845 /nfs/dbraw/zinc/01/18/45/238011845.db2.gz HZKPLOZADVMGSR-INIZCTEOSA-N 2 2 305.466 3.270 20 0 DGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000428204088 238011847 /nfs/dbraw/zinc/01/18/47/238011847.db2.gz HZKPLOZADVMGSR-INIZCTEOSA-N 2 2 305.466 3.270 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557516 238079672 /nfs/dbraw/zinc/07/96/72/238079672.db2.gz WUQUUBMPQHDZFY-STQMWFEESA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557516 238079673 /nfs/dbraw/zinc/07/96/73/238079673.db2.gz WUQUUBMPQHDZFY-STQMWFEESA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557507 238079880 /nfs/dbraw/zinc/07/98/80/238079880.db2.gz WUQUUBMPQHDZFY-OLZOCXBDSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557507 238079881 /nfs/dbraw/zinc/07/98/81/238079881.db2.gz WUQUUBMPQHDZFY-OLZOCXBDSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000430933997 238090030 /nfs/dbraw/zinc/09/00/30/238090030.db2.gz KPRDSQSGKIFLTJ-GWCFXTLKSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000430933997 238090031 /nfs/dbraw/zinc/09/00/31/238090031.db2.gz KPRDSQSGKIFLTJ-GWCFXTLKSA-N 2 2 303.233 3.041 20 0 DGADLP Oc1cccc2c1C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000433038540 238143810 /nfs/dbraw/zinc/14/38/10/238143810.db2.gz KLKHDGRJWHDMKJ-MOPGFXCFSA-N 2 2 322.452 3.114 20 0 DGADLP Oc1cccc2c1C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000433038540 238143811 /nfs/dbraw/zinc/14/38/11/238143811.db2.gz KLKHDGRJWHDMKJ-MOPGFXCFSA-N 2 2 322.452 3.114 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433302028 238154736 /nfs/dbraw/zinc/15/47/36/238154736.db2.gz WWTAIMJZKUUHCB-GOSISDBHSA-N 2 2 311.429 3.060 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433302028 238154737 /nfs/dbraw/zinc/15/47/37/238154737.db2.gz WWTAIMJZKUUHCB-GOSISDBHSA-N 2 2 311.429 3.060 20 0 DGADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000272016332 209385604 /nfs/dbraw/zinc/38/56/04/209385604.db2.gz UPILSGNKOOZJOF-QGZVFWFLSA-N 2 2 323.444 3.096 20 0 DGADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000272016332 209385605 /nfs/dbraw/zinc/38/56/05/209385605.db2.gz UPILSGNKOOZJOF-QGZVFWFLSA-N 2 2 323.444 3.096 20 0 DGADLP COCCCC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000272006654 209377172 /nfs/dbraw/zinc/37/71/72/209377172.db2.gz SKRXCBVGYIRYDL-UHFFFAOYSA-N 2 2 301.434 3.202 20 0 DGADLP COCCCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000272006654 209377174 /nfs/dbraw/zinc/37/71/74/209377174.db2.gz SKRXCBVGYIRYDL-UHFFFAOYSA-N 2 2 301.434 3.202 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000449680058 240366065 /nfs/dbraw/zinc/36/60/65/240366065.db2.gz FRKJQTWLSOVLGN-YZGWKJHDSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449680058 240366071 /nfs/dbraw/zinc/36/60/71/240366071.db2.gz FRKJQTWLSOVLGN-YZGWKJHDSA-N 2 2 316.489 3.303 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000435375922 238297393 /nfs/dbraw/zinc/29/73/93/238297393.db2.gz OXQANFNUVAFFDC-HNNXBMFYSA-N 2 2 314.429 3.053 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OCc1ccccc1 ZINC000435375922 238297396 /nfs/dbraw/zinc/29/73/96/238297396.db2.gz OXQANFNUVAFFDC-HNNXBMFYSA-N 2 2 314.429 3.053 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000189827302 432094237 /nfs/dbraw/zinc/09/42/37/432094237.db2.gz UTWNBMQLSWZIAY-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000189827302 432094238 /nfs/dbraw/zinc/09/42/38/432094238.db2.gz UTWNBMQLSWZIAY-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281414378 216283287 /nfs/dbraw/zinc/28/32/87/216283287.db2.gz RHQZFEXXCYEQDX-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281414378 216283291 /nfs/dbraw/zinc/28/32/91/216283291.db2.gz RHQZFEXXCYEQDX-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000193870463 201135521 /nfs/dbraw/zinc/13/55/21/201135521.db2.gz ARIHOLZGCIPCOJ-KRWDZBQOSA-N 2 2 302.466 3.072 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000193870463 201135525 /nfs/dbraw/zinc/13/55/25/201135525.db2.gz ARIHOLZGCIPCOJ-KRWDZBQOSA-N 2 2 302.466 3.072 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000194540044 201245713 /nfs/dbraw/zinc/24/57/13/201245713.db2.gz FBHCJLTWJWHAKJ-LJQANCHMSA-N 2 2 315.461 3.322 20 0 DGADLP COCCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000442874523 239141370 /nfs/dbraw/zinc/14/13/70/239141370.db2.gz MKKHLUVNIKEXQW-DLBZAZTESA-N 2 2 317.408 3.095 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)CCn1cccn1)[NH+](C)C ZINC000443214444 239183913 /nfs/dbraw/zinc/18/39/13/239183913.db2.gz KWOXVNWLVNNVTO-LNLFQRSKSA-N 2 2 314.477 3.251 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1cccc(OC)c1 ZINC000449069123 240001039 /nfs/dbraw/zinc/00/10/39/240001039.db2.gz WDIKXWHAPVMGJB-OSGQAZFXSA-N 2 2 320.477 3.234 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCC2)C1)C1([NH+]2CCSCC2)CCCC1 ZINC000449080160 240007282 /nfs/dbraw/zinc/00/72/82/240007282.db2.gz TUKFQRYOTYPXLP-INIZCTEOSA-N 2 2 324.534 3.039 20 0 DGADLP COc1cccc2c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cccc12 ZINC000449224057 240077681 /nfs/dbraw/zinc/07/76/81/240077681.db2.gz GZHPFNPEDCXBKE-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cccc12 ZINC000449224057 240077685 /nfs/dbraw/zinc/07/76/85/240077685.db2.gz GZHPFNPEDCXBKE-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)cccc12 ZINC000449224057 240077690 /nfs/dbraw/zinc/07/76/90/240077690.db2.gz GZHPFNPEDCXBKE-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cccc12 ZINC000449224057 240077691 /nfs/dbraw/zinc/07/76/91/240077691.db2.gz GZHPFNPEDCXBKE-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCOC1 ZINC000449351750 240148983 /nfs/dbraw/zinc/14/89/83/240148983.db2.gz QWMFAELSQURRPB-OLZOCXBDSA-N 2 2 305.809 3.040 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCCOCC1 ZINC000449352667 240152263 /nfs/dbraw/zinc/15/22/63/240152263.db2.gz XLXSQMCFCJHXDH-ZDUSSCGKSA-N 2 2 305.809 3.184 20 0 DGADLP CC[C@@H](COCC(F)(F)F)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449380205 240165478 /nfs/dbraw/zinc/16/54/78/240165478.db2.gz MDISPEQASPYMOE-LBPRGKRZSA-N 2 2 315.339 3.090 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449383798 240168308 /nfs/dbraw/zinc/16/83/08/240168308.db2.gz KDLLRMSGMHORFR-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000449391913 240171538 /nfs/dbraw/zinc/17/15/38/240171538.db2.gz ZQBRBDXJJJCMMN-MHJFOBGBSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000449391913 240171543 /nfs/dbraw/zinc/17/15/43/240171543.db2.gz ZQBRBDXJJJCMMN-MHJFOBGBSA-N 2 2 316.489 3.149 20 0 DGADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449405938 240182790 /nfs/dbraw/zinc/18/27/90/240182790.db2.gz PUCPDSWXBRUWKF-DLBZAZTESA-N 2 2 324.509 3.210 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000449328601 240133946 /nfs/dbraw/zinc/13/39/46/240133946.db2.gz JVZHFDASJLOPAI-CMTQZCSUSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000449328601 240133952 /nfs/dbraw/zinc/13/39/52/240133952.db2.gz JVZHFDASJLOPAI-CMTQZCSUSA-N 2 2 316.489 3.444 20 0 DGADLP OC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000449425564 240194233 /nfs/dbraw/zinc/19/42/33/240194233.db2.gz HTQZQSHHCGZXAP-QAPCUYQASA-N 2 2 322.880 3.055 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C(C)C)CC2)cc1 ZINC000449527111 240267318 /nfs/dbraw/zinc/26/73/18/240267318.db2.gz ZNLJBYGUNJVIKK-OAHLLOKOSA-N 2 2 317.477 3.244 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449561528 240290532 /nfs/dbraw/zinc/29/05/32/240290532.db2.gz CRTHEUCMPBDARS-HNNXBMFYSA-N 2 2 304.482 3.351 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449631541 240333046 /nfs/dbraw/zinc/33/30/46/240333046.db2.gz WOOXHWMRAJATDY-LUYZLQTOSA-N 2 2 306.475 3.041 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449631541 240333054 /nfs/dbraw/zinc/33/30/54/240333054.db2.gz WOOXHWMRAJATDY-LUYZLQTOSA-N 2 2 306.475 3.041 20 0 DGADLP c1cc2c(cccc2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000171129576 432105811 /nfs/dbraw/zinc/10/58/11/432105811.db2.gz HKRXZXLZJWWSBO-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP COCC[NH+]1CCC(Nc2ccc(CCC(C)C)c[nH+]2)CC1 ZINC000449712143 240378938 /nfs/dbraw/zinc/37/89/38/240378938.db2.gz QFVRRPSENURAFW-UHFFFAOYSA-N 2 2 305.466 3.193 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(OCCOC(C)C)CC2)c[nH+]1 ZINC000449726904 240383129 /nfs/dbraw/zinc/38/31/29/240383129.db2.gz MRRIZYNWAYYVIV-UHFFFAOYSA-N 2 2 320.477 3.229 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000449748429 240396879 /nfs/dbraw/zinc/39/68/79/240396879.db2.gz MDDQLUGZDUPWTL-MRXNPFEDSA-N 2 2 324.509 3.210 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091283084 193030533 /nfs/dbraw/zinc/03/05/33/193030533.db2.gz FUSKILVRSMFZTC-HNNXBMFYSA-N 2 2 314.477 3.344 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000091726962 193097640 /nfs/dbraw/zinc/09/76/40/193097640.db2.gz VJXFLVPZVHZJQJ-FUHWJXTLSA-N 2 2 320.477 3.013 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](OCC(C)C)C2)n1-c1ccccc1 ZINC000091964383 193134336 /nfs/dbraw/zinc/13/43/36/193134336.db2.gz DEJXBESHXIUORU-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)n1-c1ccccc1 ZINC000091964383 193134337 /nfs/dbraw/zinc/13/43/37/193134337.db2.gz DEJXBESHXIUORU-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043336 193145620 /nfs/dbraw/zinc/14/56/20/193145620.db2.gz VTENVOIZIJGESL-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043336 193145622 /nfs/dbraw/zinc/14/56/22/193145622.db2.gz VTENVOIZIJGESL-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043336 193145624 /nfs/dbraw/zinc/14/56/24/193145624.db2.gz VTENVOIZIJGESL-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043336 193145625 /nfs/dbraw/zinc/14/56/25/193145625.db2.gz VTENVOIZIJGESL-MJGOQNOKSA-N 2 2 324.472 3.301 20 0 DGADLP CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451527415 241159744 /nfs/dbraw/zinc/15/97/44/241159744.db2.gz HKQMBJKPTWYBCO-VQIMIIECSA-N 2 2 313.445 3.428 20 0 DGADLP CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451527415 241159750 /nfs/dbraw/zinc/15/97/50/241159750.db2.gz HKQMBJKPTWYBCO-VQIMIIECSA-N 2 2 313.445 3.428 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683831 284013883 /nfs/dbraw/zinc/01/38/83/284013883.db2.gz OPSRGWSTHVZZKX-AWEZNQCLSA-N 2 2 305.491 3.328 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683831 284013885 /nfs/dbraw/zinc/01/38/85/284013885.db2.gz OPSRGWSTHVZZKX-AWEZNQCLSA-N 2 2 305.491 3.328 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340207033 296116604 /nfs/dbraw/zinc/11/66/04/296116604.db2.gz SKKDEISPQTWYDT-UZLBHIALSA-N 2 2 316.489 3.371 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340207033 296116606 /nfs/dbraw/zinc/11/66/06/296116606.db2.gz SKKDEISPQTWYDT-UZLBHIALSA-N 2 2 316.489 3.371 20 0 DGADLP CC1CCC([N@H+](CCc2c[nH+]cn2C)C[C@@H]2CCCO2)CC1 ZINC000459346093 243344384 /nfs/dbraw/zinc/34/43/84/243344384.db2.gz UAABJYNPEZXZCN-HTWSVDAQSA-N 2 2 305.466 3.022 20 0 DGADLP CC1CCC([N@@H+](CCc2c[nH+]cn2C)C[C@@H]2CCCO2)CC1 ZINC000459346093 243344390 /nfs/dbraw/zinc/34/43/90/243344390.db2.gz UAABJYNPEZXZCN-HTWSVDAQSA-N 2 2 305.466 3.022 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423330798 296134276 /nfs/dbraw/zinc/13/42/76/296134276.db2.gz GIGWGHILHVEXOV-SJKOYZFVSA-N 2 2 320.868 3.267 20 0 DGADLP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468379059 244037799 /nfs/dbraw/zinc/03/77/99/244037799.db2.gz ZKYXAALDEGNTDG-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468379059 244037806 /nfs/dbraw/zinc/03/78/06/244037806.db2.gz ZKYXAALDEGNTDG-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468384049 244037902 /nfs/dbraw/zinc/03/79/02/244037902.db2.gz MGJALYOAOWIRRK-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468384049 244037907 /nfs/dbraw/zinc/03/79/07/244037907.db2.gz MGJALYOAOWIRRK-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000468515903 244047066 /nfs/dbraw/zinc/04/70/66/244047066.db2.gz HLHWJEZARFZIRY-SJLPKXTDSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000468515903 244047074 /nfs/dbraw/zinc/04/70/74/244047074.db2.gz HLHWJEZARFZIRY-SJLPKXTDSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000468515903 244047078 /nfs/dbraw/zinc/04/70/78/244047078.db2.gz HLHWJEZARFZIRY-SJLPKXTDSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000468515903 244047087 /nfs/dbraw/zinc/04/70/87/244047087.db2.gz HLHWJEZARFZIRY-SJLPKXTDSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000468515904 244048241 /nfs/dbraw/zinc/04/82/41/244048241.db2.gz HLHWJEZARFZIRY-WMZOPIPTSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000468515904 244048244 /nfs/dbraw/zinc/04/82/44/244048244.db2.gz HLHWJEZARFZIRY-WMZOPIPTSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000468515904 244048247 /nfs/dbraw/zinc/04/82/47/244048247.db2.gz HLHWJEZARFZIRY-WMZOPIPTSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000468515904 244048253 /nfs/dbraw/zinc/04/82/53/244048253.db2.gz HLHWJEZARFZIRY-WMZOPIPTSA-N 2 2 302.462 3.392 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000093174134 193211027 /nfs/dbraw/zinc/21/10/27/193211027.db2.gz KFIWUWXIYBWRGX-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000093174134 193211029 /nfs/dbraw/zinc/21/10/29/193211029.db2.gz KFIWUWXIYBWRGX-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccnc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000093174134 193211031 /nfs/dbraw/zinc/21/10/31/193211031.db2.gz KFIWUWXIYBWRGX-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccnc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000093174134 193211033 /nfs/dbraw/zinc/21/10/33/193211033.db2.gz KFIWUWXIYBWRGX-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1 ZINC000093563856 193268388 /nfs/dbraw/zinc/26/83/88/193268388.db2.gz WLSHDDPNGWKJSK-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1 ZINC000093563856 193268390 /nfs/dbraw/zinc/26/83/90/193268390.db2.gz WLSHDDPNGWKJSK-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597474 193272069 /nfs/dbraw/zinc/27/20/69/193272069.db2.gz BLQJBYUGWBURAX-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597474 193272070 /nfs/dbraw/zinc/27/20/70/193272070.db2.gz BLQJBYUGWBURAX-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000093597607 193273020 /nfs/dbraw/zinc/27/30/20/193273020.db2.gz QCQAQJIIHCPZKE-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000093597607 193273022 /nfs/dbraw/zinc/27/30/22/193273022.db2.gz QCQAQJIIHCPZKE-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000093597607 193273024 /nfs/dbraw/zinc/27/30/24/193273024.db2.gz QCQAQJIIHCPZKE-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093693097 193290930 /nfs/dbraw/zinc/29/09/30/193290930.db2.gz SESMBOGCKITJJD-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000093693097 193290932 /nfs/dbraw/zinc/29/09/32/193290932.db2.gz SESMBOGCKITJJD-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP c1[nH]cc(CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)[nH+]1 ZINC000093736098 193298150 /nfs/dbraw/zinc/29/81/50/193298150.db2.gz MITOCNMHBJVUJY-UHFFFAOYSA-N 2 2 324.472 3.430 20 0 DGADLP c1[nH]cc(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)[nH+]1 ZINC000093736098 193298152 /nfs/dbraw/zinc/29/81/52/193298152.db2.gz MITOCNMHBJVUJY-UHFFFAOYSA-N 2 2 324.472 3.430 20 0 DGADLP c1[nH]c(CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c[nH+]1 ZINC000093736098 193298153 /nfs/dbraw/zinc/29/81/53/193298153.db2.gz MITOCNMHBJVUJY-UHFFFAOYSA-N 2 2 324.472 3.430 20 0 DGADLP c1[nH]c(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c[nH+]1 ZINC000093736098 193298155 /nfs/dbraw/zinc/29/81/55/193298155.db2.gz MITOCNMHBJVUJY-UHFFFAOYSA-N 2 2 324.472 3.430 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770512 193303601 /nfs/dbraw/zinc/30/36/01/193303601.db2.gz PBOHIQSYXNFOPJ-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770512 193303603 /nfs/dbraw/zinc/30/36/03/193303603.db2.gz PBOHIQSYXNFOPJ-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)ccc1OC ZINC000093770512 193303604 /nfs/dbraw/zinc/30/36/04/193303604.db2.gz PBOHIQSYXNFOPJ-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)ccc1OC ZINC000093770512 193303606 /nfs/dbraw/zinc/30/36/06/193303606.db2.gz PBOHIQSYXNFOPJ-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660240 193284742 /nfs/dbraw/zinc/28/47/42/193284742.db2.gz DIQRITRLMYLMII-SFHVURJKSA-N 2 2 312.461 3.383 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660240 193284744 /nfs/dbraw/zinc/28/47/44/193284744.db2.gz DIQRITRLMYLMII-SFHVURJKSA-N 2 2 312.461 3.383 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660240 193284745 /nfs/dbraw/zinc/28/47/45/193284745.db2.gz DIQRITRLMYLMII-SFHVURJKSA-N 2 2 312.461 3.383 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660240 193284747 /nfs/dbraw/zinc/28/47/47/193284747.db2.gz DIQRITRLMYLMII-SFHVURJKSA-N 2 2 312.461 3.383 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660239 193285075 /nfs/dbraw/zinc/28/50/75/193285075.db2.gz DIQRITRLMYLMII-GOSISDBHSA-N 2 2 312.461 3.383 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660239 193285076 /nfs/dbraw/zinc/28/50/76/193285076.db2.gz DIQRITRLMYLMII-GOSISDBHSA-N 2 2 312.461 3.383 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660239 193285078 /nfs/dbraw/zinc/28/50/78/193285078.db2.gz DIQRITRLMYLMII-GOSISDBHSA-N 2 2 312.461 3.383 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093660239 193285079 /nfs/dbraw/zinc/28/50/79/193285079.db2.gz DIQRITRLMYLMII-GOSISDBHSA-N 2 2 312.461 3.383 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698029 432121990 /nfs/dbraw/zinc/12/19/90/432121990.db2.gz CXJYAKJCEXPBSL-KBXCAEBGSA-N 2 2 321.428 3.334 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000122295935 284216479 /nfs/dbraw/zinc/21/64/79/284216479.db2.gz AFTGCJGRTSNTBZ-FZMZJTMJSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122295935 284216482 /nfs/dbraw/zinc/21/64/82/284216482.db2.gz AFTGCJGRTSNTBZ-FZMZJTMJSA-N 2 2 309.251 3.164 20 0 DGADLP CC[C@@H](C[NH2+]C[C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486942528 245001061 /nfs/dbraw/zinc/00/10/61/245001061.db2.gz VHYZSYZXNXVEBH-YJBOKZPZSA-N 2 2 304.503 3.166 20 0 DGADLP CC[C@@H](C[NH2+]C[C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486942528 245001067 /nfs/dbraw/zinc/00/10/67/245001067.db2.gz VHYZSYZXNXVEBH-YJBOKZPZSA-N 2 2 304.503 3.166 20 0 DGADLP C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000423113876 296159266 /nfs/dbraw/zinc/15/92/66/296159266.db2.gz UVMPOZNNJADGCU-VCTAVGKDSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)C1C[NH2+]C1 ZINC000422892005 296159845 /nfs/dbraw/zinc/15/98/45/296159845.db2.gz XHXDJPDYBSNUTK-SJKOYZFVSA-N 2 2 301.821 3.022 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@H]2CCC[N@H+]2C)C3)cc1 ZINC000487959452 245128098 /nfs/dbraw/zinc/12/80/98/245128098.db2.gz CBZJFGRLZGLODK-QGZVFWFLSA-N 2 2 324.472 3.023 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@H]2CCC[N@@H+]2C)C3)cc1 ZINC000487959452 245128101 /nfs/dbraw/zinc/12/81/01/245128101.db2.gz CBZJFGRLZGLODK-QGZVFWFLSA-N 2 2 324.472 3.023 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316215 245177279 /nfs/dbraw/zinc/17/72/79/245177279.db2.gz FSZHKKVWUCUWMS-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316215 245177281 /nfs/dbraw/zinc/17/72/81/245177281.db2.gz FSZHKKVWUCUWMS-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316215 245177282 /nfs/dbraw/zinc/17/72/82/245177282.db2.gz FSZHKKVWUCUWMS-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316215 245177287 /nfs/dbraw/zinc/17/72/87/245177287.db2.gz FSZHKKVWUCUWMS-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H]3C[C@@H]3C)[nH+]c12 ZINC000488562295 245210530 /nfs/dbraw/zinc/21/05/30/245210530.db2.gz RONBKSQAVPAFDW-JQWIXIFHSA-N 2 2 322.250 3.193 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000125535526 284278172 /nfs/dbraw/zinc/27/81/72/284278172.db2.gz QJARBPCBRYFGDE-RTBURBONSA-N 2 2 320.440 3.392 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)no1 ZINC000282558700 217088846 /nfs/dbraw/zinc/08/88/46/217088846.db2.gz DNMQVIYCSCEMJP-GFCCVEGCSA-N 2 2 300.337 3.159 20 0 DGADLP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2ccccc2)n1 ZINC000271719773 209154576 /nfs/dbraw/zinc/15/45/76/209154576.db2.gz JJRFERBWZDIWAU-UHFFFAOYSA-N 2 2 321.428 3.190 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268732621 432127433 /nfs/dbraw/zinc/12/74/33/432127433.db2.gz ATUSCAZJJNJNQM-QGZVFWFLSA-N 2 2 307.397 3.163 20 0 DGADLP c1cc2[nH+]ccc(N3CC[NH+](Cc4cccnc4)CC3)c2s1 ZINC000266123685 205117327 /nfs/dbraw/zinc/11/73/27/205117327.db2.gz MYOFJLWZDRGYJU-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP Cc1ccoc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000266198722 205176890 /nfs/dbraw/zinc/17/68/90/205176890.db2.gz KLYVTWQHHLJKQW-INIZCTEOSA-N 2 2 314.429 3.099 20 0 DGADLP Cc1ccoc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000266198722 205176895 /nfs/dbraw/zinc/17/68/95/205176895.db2.gz KLYVTWQHHLJKQW-INIZCTEOSA-N 2 2 314.429 3.099 20 0 DGADLP COCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000266204960 205180867 /nfs/dbraw/zinc/18/08/67/205180867.db2.gz MIYJVZNBCBWZNF-FQEVSTJZSA-N 2 2 310.441 3.197 20 0 DGADLP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000266204960 205180869 /nfs/dbraw/zinc/18/08/69/205180869.db2.gz MIYJVZNBCBWZNF-FQEVSTJZSA-N 2 2 310.441 3.197 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000288547659 220224449 /nfs/dbraw/zinc/22/44/49/220224449.db2.gz XISQNLCYDNHCJB-QFBILLFUSA-N 2 2 312.461 3.217 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000288547659 220224451 /nfs/dbraw/zinc/22/44/51/220224451.db2.gz XISQNLCYDNHCJB-QFBILLFUSA-N 2 2 312.461 3.217 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642098 246031303 /nfs/dbraw/zinc/03/13/03/246031303.db2.gz NJHDZMILXRBWRK-FTRWYGJKSA-N 2 2 313.489 3.420 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642098 246031305 /nfs/dbraw/zinc/03/13/05/246031305.db2.gz NJHDZMILXRBWRK-FTRWYGJKSA-N 2 2 313.489 3.420 20 0 DGADLP O=C(/C=C\c1[nH]cc[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493699928 246044872 /nfs/dbraw/zinc/04/48/72/246044872.db2.gz WPUDTQIYOYXEGJ-HJWRWDBZSA-N 2 2 324.428 3.090 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000493898015 246093957 /nfs/dbraw/zinc/09/39/57/246093957.db2.gz SXYBIJXQFLVKQC-CWQOZTLDSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCCC[C@H]1C ZINC000493898015 246093960 /nfs/dbraw/zinc/09/39/60/246093960.db2.gz SXYBIJXQFLVKQC-CWQOZTLDSA-N 2 2 306.494 3.187 20 0 DGADLP COc1ccsc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000268792370 432134163 /nfs/dbraw/zinc/13/41/63/432134163.db2.gz MPRALBKYIKYDMB-UHFFFAOYSA-N 2 2 315.442 3.366 20 0 DGADLP CCc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC000190300266 432141666 /nfs/dbraw/zinc/14/16/66/432141666.db2.gz ZRWPDEVBNTYZRX-RBUKOAKNSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)CCO2)cc1 ZINC000190300266 432141671 /nfs/dbraw/zinc/14/16/71/432141671.db2.gz ZRWPDEVBNTYZRX-RBUKOAKNSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC000190300266 432141675 /nfs/dbraw/zinc/14/16/75/432141675.db2.gz ZRWPDEVBNTYZRX-RBUKOAKNSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@@H]3CCC[N@H+]3C)CCO2)cc1 ZINC000190300266 432141679 /nfs/dbraw/zinc/14/16/79/432141679.db2.gz ZRWPDEVBNTYZRX-RBUKOAKNSA-N 2 2 302.462 3.107 20 0 DGADLP Cc1oncc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000181736903 432143173 /nfs/dbraw/zinc/14/31/73/432143173.db2.gz YZESTRLECLHSGL-DNVCBOLYSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000181736903 432143175 /nfs/dbraw/zinc/14/31/75/432143175.db2.gz YZESTRLECLHSGL-DNVCBOLYSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000181736903 432143179 /nfs/dbraw/zinc/14/31/79/432143179.db2.gz YZESTRLECLHSGL-DNVCBOLYSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000181736903 432143181 /nfs/dbraw/zinc/14/31/81/432143181.db2.gz YZESTRLECLHSGL-DNVCBOLYSA-N 2 2 313.445 3.468 20 0 DGADLP c1ccc(C[NH+]2CCC(Nc3cc[nH+]c4ccncc34)CC2)nc1 ZINC000267939586 206349913 /nfs/dbraw/zinc/34/99/13/206349913.db2.gz HDCSPGQTRWGJJD-UHFFFAOYSA-N 2 2 319.412 3.101 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002063 206387244 /nfs/dbraw/zinc/38/72/44/206387244.db2.gz BPOKGIAVWMNPLZ-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002063 206387249 /nfs/dbraw/zinc/38/72/49/206387249.db2.gz BPOKGIAVWMNPLZ-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000136083259 432146103 /nfs/dbraw/zinc/14/61/03/432146103.db2.gz AWRKXMZRRVCZBX-LPHOPBHVSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000136083259 432146107 /nfs/dbraw/zinc/14/61/07/432146107.db2.gz AWRKXMZRRVCZBX-LPHOPBHVSA-N 2 2 321.428 3.152 20 0 DGADLP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246575669 432146220 /nfs/dbraw/zinc/14/62/20/432146220.db2.gz YGKWIGBQVCVRKY-FUHWJXTLSA-N 2 2 301.478 3.318 20 0 DGADLP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246575669 432146223 /nfs/dbraw/zinc/14/62/23/432146223.db2.gz YGKWIGBQVCVRKY-FUHWJXTLSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)s1 ZINC000041050979 183159551 /nfs/dbraw/zinc/15/95/51/183159551.db2.gz CFALGZJGGOUWMT-SECBINFHSA-N 2 2 300.225 3.058 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Br ZINC000042419250 183267673 /nfs/dbraw/zinc/26/76/73/183267673.db2.gz YSDQVJZGGWYQPL-TYNCELHUSA-N 2 2 311.267 3.267 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Br ZINC000042419250 183267676 /nfs/dbraw/zinc/26/76/76/183267676.db2.gz YSDQVJZGGWYQPL-TYNCELHUSA-N 2 2 311.267 3.267 20 0 DGADLP C[C@@H]([NH2+]CC[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043513196 183369452 /nfs/dbraw/zinc/36/94/52/183369452.db2.gz IFZCUEUUFLTXTJ-SSDOTTSWSA-N 2 2 300.246 3.334 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162877228 284719164 /nfs/dbraw/zinc/71/91/64/284719164.db2.gz UFIINCDNEOTNCJ-GOSISDBHSA-N 2 2 313.445 3.121 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)c1 ZINC000104716862 194029586 /nfs/dbraw/zinc/02/95/86/194029586.db2.gz GHWFKKXWNHHOQH-AWEZNQCLSA-N 2 2 315.392 3.113 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1Cl ZINC000284593074 218091776 /nfs/dbraw/zinc/09/17/76/218091776.db2.gz ZRZYOFIUEKNSRQ-GFCCVEGCSA-N 2 2 320.824 3.291 20 0 DGADLP c1cc([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000285290269 218367716 /nfs/dbraw/zinc/36/77/16/218367716.db2.gz GIKRDYXJNPQARZ-GOSISDBHSA-N 2 2 307.401 3.323 20 0 DGADLP c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n[nH]1 ZINC000285290269 218367719 /nfs/dbraw/zinc/36/77/19/218367719.db2.gz GIKRDYXJNPQARZ-GOSISDBHSA-N 2 2 307.401 3.323 20 0 DGADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1SC ZINC000109792969 194285311 /nfs/dbraw/zinc/28/53/11/194285311.db2.gz QOCMMYNRWFXSNZ-UHFFFAOYSA-N 2 2 317.458 3.451 20 0 DGADLP c1cn(C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)c[nH+]1 ZINC000109794307 194286538 /nfs/dbraw/zinc/28/65/38/194286538.db2.gz RYPLTLDNQSGSKP-UHFFFAOYSA-N 2 2 314.414 3.437 20 0 DGADLP CCCCc1noc([C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000109796309 194286778 /nfs/dbraw/zinc/28/67/78/194286778.db2.gz XSWUECOWDXORFS-ZDUSSCGKSA-N 2 2 303.410 3.007 20 0 DGADLP c1csc(-c2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)co2)c1 ZINC000109795669 194287129 /nfs/dbraw/zinc/28/71/29/194287129.db2.gz GBHPAQAAJBPAFV-UHFFFAOYSA-N 2 2 314.414 3.437 20 0 DGADLP CC(C)c1nc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc[nH+]1 ZINC000110249103 194318444 /nfs/dbraw/zinc/31/84/44/194318444.db2.gz PUJWARQHWMHJHO-OAHLLOKOSA-N 2 2 302.397 3.454 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000268880090 207052504 /nfs/dbraw/zinc/05/25/04/207052504.db2.gz AVGVVCMBSRNYTH-RHSMWYFYSA-N 2 2 308.491 3.173 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896438 207065619 /nfs/dbraw/zinc/06/56/19/207065619.db2.gz KGQLZTZUSPSPOZ-QZTJIDSGSA-N 2 2 323.912 3.263 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896438 207065624 /nfs/dbraw/zinc/06/56/24/207065624.db2.gz KGQLZTZUSPSPOZ-QZTJIDSGSA-N 2 2 323.912 3.263 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906803 207075594 /nfs/dbraw/zinc/07/55/94/207075594.db2.gz MCPWNNRKJURGSC-UWJYYQICSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906803 207075599 /nfs/dbraw/zinc/07/55/99/207075599.db2.gz MCPWNNRKJURGSC-UWJYYQICSA-N 2 2 323.484 3.250 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000268951427 207117572 /nfs/dbraw/zinc/11/75/72/207117572.db2.gz CKECVVMAVIVADK-PBHICJAKSA-N 2 2 311.385 3.158 20 0 DGADLP Fc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(Br)c1 ZINC000060572625 184152587 /nfs/dbraw/zinc/15/25/87/184152587.db2.gz DRMDDBUECYXYBN-UHFFFAOYSA-N 2 2 315.230 3.164 20 0 DGADLP C[C@@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000269128534 207263290 /nfs/dbraw/zinc/26/32/90/207263290.db2.gz HMJZGCFOBXQARJ-CABCVRRESA-N 2 2 302.466 3.213 20 0 DGADLP Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)o1 ZINC000269138865 207269345 /nfs/dbraw/zinc/26/93/45/207269345.db2.gz LHJCZETUZJMJQF-UHFFFAOYSA-N 2 2 314.433 3.126 20 0 DGADLP C[C@@H]([NH3+])C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000442666338 532963043 /nfs/dbraw/zinc/96/30/43/532963043.db2.gz UGGHPXMYPAJLQT-LLVKDONJSA-N 2 2 317.260 3.322 20 0 DGADLP C[C@@H](CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000248985672 285043576 /nfs/dbraw/zinc/04/35/76/285043576.db2.gz FAIZKKQDCVOQEO-RBUKOAKNSA-N 2 2 316.489 3.224 20 0 DGADLP C[C@@H](CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000248985672 285043577 /nfs/dbraw/zinc/04/35/77/285043577.db2.gz FAIZKKQDCVOQEO-RBUKOAKNSA-N 2 2 316.489 3.224 20 0 DGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119873430 195053749 /nfs/dbraw/zinc/05/37/49/195053749.db2.gz VGQRJPLYQRCJAN-MDZRGWNJSA-N 2 2 302.462 3.071 20 0 DGADLP COC1(C[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000429416553 533011634 /nfs/dbraw/zinc/01/16/34/533011634.db2.gz LHQHDEWPPDEFND-MRXNPFEDSA-N 2 2 313.445 3.369 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119974529 195072854 /nfs/dbraw/zinc/07/28/54/195072854.db2.gz XJYKNQWBRMQXRO-IXDOHACOSA-N 2 2 320.477 3.235 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119974529 195072857 /nfs/dbraw/zinc/07/28/57/195072857.db2.gz XJYKNQWBRMQXRO-IXDOHACOSA-N 2 2 320.477 3.235 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2nn(CC)c3ccccc23)CC1 ZINC000336854001 253008509 /nfs/dbraw/zinc/00/85/09/253008509.db2.gz LBZCTSKILKDJHE-UHFFFAOYSA-N 2 2 300.450 3.020 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000270093913 208151397 /nfs/dbraw/zinc/15/13/97/208151397.db2.gz AXLKDLVVQKEJJD-QGZVFWFLSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC000270093913 208151400 /nfs/dbraw/zinc/15/14/00/208151400.db2.gz AXLKDLVVQKEJJD-QGZVFWFLSA-N 2 2 313.445 3.236 20 0 DGADLP COc1cccc(CCC[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337040808 253039405 /nfs/dbraw/zinc/03/94/05/253039405.db2.gz AZORGYXUIRHFQK-WOJBJXKFSA-N 2 2 310.441 3.055 20 0 DGADLP COc1cccc(CCC[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337040808 253039406 /nfs/dbraw/zinc/03/94/06/253039406.db2.gz AZORGYXUIRHFQK-WOJBJXKFSA-N 2 2 310.441 3.055 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)c1 ZINC000337160026 253055466 /nfs/dbraw/zinc/05/54/66/253055466.db2.gz SHPRTDNWUVNQNJ-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337050502 253040803 /nfs/dbraw/zinc/04/08/03/253040803.db2.gz JEQHDKIHBQTGFT-WOJBJXKFSA-N 2 2 310.441 3.272 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337050502 253040804 /nfs/dbraw/zinc/04/08/04/253040804.db2.gz JEQHDKIHBQTGFT-WOJBJXKFSA-N 2 2 310.441 3.272 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000337411048 253110427 /nfs/dbraw/zinc/11/04/27/253110427.db2.gz WBKBOVDJYUYZIO-IBGZPJMESA-N 2 2 313.489 3.121 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337458914 253120194 /nfs/dbraw/zinc/12/01/94/253120194.db2.gz JWULIGYEYSXVAE-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337458914 253120196 /nfs/dbraw/zinc/12/01/96/253120196.db2.gz JWULIGYEYSXVAE-UFYCRDLUSA-N 2 2 316.489 3.446 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCSC1 ZINC000337344153 253092965 /nfs/dbraw/zinc/09/29/65/253092965.db2.gz SWNWZJPDIQPHPS-SZMVWBNQSA-N 2 2 319.518 3.135 20 0 DGADLP CC[NH+](CC)CC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000337480706 253124327 /nfs/dbraw/zinc/12/43/27/253124327.db2.gz WOOAKHUFKBXWEU-HNNXBMFYSA-N 2 2 318.465 3.049 20 0 DGADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337357878 253096189 /nfs/dbraw/zinc/09/61/89/253096189.db2.gz BKVJMVDWKMFNII-LJQANCHMSA-N 2 2 312.413 3.306 20 0 DGADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337357878 253096191 /nfs/dbraw/zinc/09/61/91/253096191.db2.gz BKVJMVDWKMFNII-LJQANCHMSA-N 2 2 312.413 3.306 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000337503184 253128627 /nfs/dbraw/zinc/12/86/27/253128627.db2.gz CLIYLRUWRIJVGP-LSDHHAIUSA-N 2 2 301.434 3.290 20 0 DGADLP CC1(C)C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000337652293 253154615 /nfs/dbraw/zinc/15/46/15/253154615.db2.gz MHAJTTZWBZVRMK-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP CC1(C)C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000337652293 253154621 /nfs/dbraw/zinc/15/46/21/253154621.db2.gz MHAJTTZWBZVRMK-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000337804420 253177365 /nfs/dbraw/zinc/17/73/65/253177365.db2.gz JWFNEILUQOCWGT-UHFFFAOYSA-N 2 2 312.442 3.184 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337811284 253177811 /nfs/dbraw/zinc/17/78/11/253177811.db2.gz MLFAEDMOZDZUTM-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337811284 253177814 /nfs/dbraw/zinc/17/78/14/253177814.db2.gz MLFAEDMOZDZUTM-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337984659 253204646 /nfs/dbraw/zinc/20/46/46/253204646.db2.gz BUZPGVLYTBTUIE-DOTOQJQBSA-N 2 2 314.489 3.384 20 0 DGADLP C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338003744 253207737 /nfs/dbraw/zinc/20/77/37/253207737.db2.gz NNBPBECIWPORDY-QLFBSQMISA-N 2 2 312.417 3.072 20 0 DGADLP C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338003744 253207739 /nfs/dbraw/zinc/20/77/39/253207739.db2.gz NNBPBECIWPORDY-QLFBSQMISA-N 2 2 312.417 3.072 20 0 DGADLP OC[C@H](CC1CCCC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000338006022 253208595 /nfs/dbraw/zinc/20/85/95/253208595.db2.gz BUOPHAMMGYXIGI-PMACEKPBSA-N 2 2 316.489 3.182 20 0 DGADLP OC[C@H](CC1CCCC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000338006022 253208596 /nfs/dbraw/zinc/20/85/96/253208596.db2.gz BUOPHAMMGYXIGI-PMACEKPBSA-N 2 2 316.489 3.182 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000442765747 533059725 /nfs/dbraw/zinc/05/97/25/533059725.db2.gz JRGKFIWMKQEVIL-JKSUJKDBSA-N 2 2 322.518 3.152 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000338293103 253259291 /nfs/dbraw/zinc/25/92/91/253259291.db2.gz VLVOZSDREAVIRN-UHFFFAOYSA-N 3 2 306.498 3.107 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc2c1OCCO2 ZINC000338315448 253263813 /nfs/dbraw/zinc/26/38/13/253263813.db2.gz NPPOOPLUWJERRS-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2c1OCCO2 ZINC000338315448 253263816 /nfs/dbraw/zinc/26/38/16/253263816.db2.gz NPPOOPLUWJERRS-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000338393680 253279836 /nfs/dbraw/zinc/27/98/36/253279836.db2.gz WSEKLNZODKFWAU-UHFFFAOYSA-N 3 2 318.509 3.131 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1n1cc[nH+]c1 ZINC000253553379 285110972 /nfs/dbraw/zinc/11/09/72/285110972.db2.gz XWJUKDZHWXFZBY-KBXCAEBGSA-N 2 2 322.412 3.220 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1n1cc[nH+]c1 ZINC000253553379 285110973 /nfs/dbraw/zinc/11/09/73/285110973.db2.gz XWJUKDZHWXFZBY-KBXCAEBGSA-N 2 2 322.412 3.220 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000159282153 197341700 /nfs/dbraw/zinc/34/17/00/197341700.db2.gz FHGJCDWHOILEAX-UHFFFAOYSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444770 253288894 /nfs/dbraw/zinc/28/88/94/253288894.db2.gz IXHBWGSTCDZGDW-NVXWUHKLSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444770 253288896 /nfs/dbraw/zinc/28/88/96/253288896.db2.gz IXHBWGSTCDZGDW-NVXWUHKLSA-N 2 2 324.472 3.110 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCOC[C@H]3C)ccc2n1C1CC1 ZINC000338795129 253352779 /nfs/dbraw/zinc/35/27/79/253352779.db2.gz ZBPQLJAEMZYUAH-CZUORRHYSA-N 2 2 313.445 3.448 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158848086 197306711 /nfs/dbraw/zinc/30/67/11/197306711.db2.gz ZWXMLXZLNHZMQJ-SJORKVTESA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158848086 197306713 /nfs/dbraw/zinc/30/67/13/197306713.db2.gz ZWXMLXZLNHZMQJ-SJORKVTESA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158848086 197306714 /nfs/dbraw/zinc/30/67/14/197306714.db2.gz ZWXMLXZLNHZMQJ-SJORKVTESA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)CC[C@@H]21 ZINC000158848086 197306716 /nfs/dbraw/zinc/30/67/16/197306716.db2.gz ZWXMLXZLNHZMQJ-SJORKVTESA-N 2 2 311.429 3.258 20 0 DGADLP Cc1cc(N2CCC([NH+]3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000339015784 253390155 /nfs/dbraw/zinc/39/01/55/253390155.db2.gz DLSFKGUEWDKRKR-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP Clc1cc2c(c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c1)OCC2 ZINC000272949941 210336310 /nfs/dbraw/zinc/33/63/10/210336310.db2.gz KGMRSRKUWGWSMG-ZDUSSCGKSA-N 2 2 317.820 3.378 20 0 DGADLP Clc1cc2c(c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c1)OCC2 ZINC000272949941 210336314 /nfs/dbraw/zinc/33/63/14/210336314.db2.gz KGMRSRKUWGWSMG-ZDUSSCGKSA-N 2 2 317.820 3.378 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC1(C)C)c1cccc(OC)c1 ZINC000340180080 253574404 /nfs/dbraw/zinc/57/44/04/253574404.db2.gz BEJBAGSNEWWAJH-MSOLQXFVSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1-c1ccccc1 ZINC000271173347 208687360 /nfs/dbraw/zinc/68/73/60/208687360.db2.gz DUXUVKGNXNTCAD-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP CC[NH+](CC)CCN(Cc1cccc2[nH+]ccn21)CC(C)C ZINC000342702886 254035075 /nfs/dbraw/zinc/03/50/75/254035075.db2.gz JACIYKRPFAQRPZ-UHFFFAOYSA-N 2 2 302.466 3.134 20 0 DGADLP CCOc1ccc2c(c1)CC[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000342943034 254078787 /nfs/dbraw/zinc/07/87/87/254078787.db2.gz OFQNUGLLVUQLAJ-UHFFFAOYSA-N 2 2 307.397 3.291 20 0 DGADLP CCOc1ccc2c(c1)CC[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000342943034 254078789 /nfs/dbraw/zinc/07/87/89/254078789.db2.gz OFQNUGLLVUQLAJ-UHFFFAOYSA-N 2 2 307.397 3.291 20 0 DGADLP C[C@@H](O)C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000157636834 197203841 /nfs/dbraw/zinc/20/38/41/197203841.db2.gz NGGZNCRHNKJORY-HUUCEWRRSA-N 2 2 324.896 3.301 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H]1C[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270623 254122664 /nfs/dbraw/zinc/12/26/64/254122664.db2.gz FJTJMDLVDQYASK-XIRDDKMYSA-N 2 2 309.523 3.061 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270623 254122666 /nfs/dbraw/zinc/12/26/66/254122666.db2.gz FJTJMDLVDQYASK-XIRDDKMYSA-N 2 2 309.523 3.061 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703134 254179230 /nfs/dbraw/zinc/17/92/30/254179230.db2.gz ZKADMDYCSWUXFQ-WMZOPIPTSA-N 2 2 304.482 3.091 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703134 254179231 /nfs/dbraw/zinc/17/92/31/254179231.db2.gz ZKADMDYCSWUXFQ-WMZOPIPTSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703134 254179233 /nfs/dbraw/zinc/17/92/33/254179233.db2.gz ZKADMDYCSWUXFQ-WMZOPIPTSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703134 254179234 /nfs/dbraw/zinc/17/92/34/254179234.db2.gz ZKADMDYCSWUXFQ-WMZOPIPTSA-N 2 2 304.482 3.091 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)s2)o1 ZINC000343789038 254189137 /nfs/dbraw/zinc/18/91/37/254189137.db2.gz JZWRYXKTVSWXKD-LBPRGKRZSA-N 2 2 316.430 3.334 20 0 DGADLP Cc1cc(N(C)CCC[N@H+](C)Cc2ccco2)nc(C2CC2)[nH+]1 ZINC000343808654 254191258 /nfs/dbraw/zinc/19/12/58/254191258.db2.gz OJIRTJSYRNPLEV-UHFFFAOYSA-N 2 2 314.433 3.214 20 0 DGADLP Cc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)nc(C2CC2)[nH+]1 ZINC000343808654 254191260 /nfs/dbraw/zinc/19/12/60/254191260.db2.gz OJIRTJSYRNPLEV-UHFFFAOYSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827225 254193392 /nfs/dbraw/zinc/19/33/92/254193392.db2.gz AFGICYXVSCWWLV-UWVGGRQHSA-N 2 2 319.396 3.297 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000343827225 254193393 /nfs/dbraw/zinc/19/33/93/254193393.db2.gz AFGICYXVSCWWLV-UWVGGRQHSA-N 2 2 319.396 3.297 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846551 254195565 /nfs/dbraw/zinc/19/55/65/254195565.db2.gz ZOZVDZOQFGCGKX-VHSXEESVSA-N 2 2 307.385 3.154 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846551 254195566 /nfs/dbraw/zinc/19/55/66/254195566.db2.gz ZOZVDZOQFGCGKX-VHSXEESVSA-N 2 2 307.385 3.154 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343853400 254196475 /nfs/dbraw/zinc/19/64/75/254196475.db2.gz IAHGFVPWQOATTO-BDAKNGLRSA-N 2 2 304.341 3.098 20 0 DGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000344169670 254234822 /nfs/dbraw/zinc/23/48/22/254234822.db2.gz MCPXCNUNSKAENO-JKSUJKDBSA-N 2 2 305.466 3.457 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000344332462 254257779 /nfs/dbraw/zinc/25/77/79/254257779.db2.gz QADQTRDUPUQXPO-NPSOMJIGSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000344332462 254257780 /nfs/dbraw/zinc/25/77/80/254257780.db2.gz QADQTRDUPUQXPO-NPSOMJIGSA-N 2 2 306.425 3.117 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@@H+]1C ZINC000344356150 254261389 /nfs/dbraw/zinc/26/13/89/254261389.db2.gz MATKEXZQRGQKNL-WFASDCNBSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[N@H+]1C ZINC000344356150 254261391 /nfs/dbraw/zinc/26/13/91/254261391.db2.gz MATKEXZQRGQKNL-WFASDCNBSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355614 254261395 /nfs/dbraw/zinc/26/13/95/254261395.db2.gz SZWZPOSMCAMSJJ-QFBILLFUSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355614 254261396 /nfs/dbraw/zinc/26/13/96/254261396.db2.gz SZWZPOSMCAMSJJ-QFBILLFUSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000344690311 254296426 /nfs/dbraw/zinc/29/64/26/254296426.db2.gz XCYKIDZVWIFQOI-BBRMVZONSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000344690311 254296428 /nfs/dbraw/zinc/29/64/28/254296428.db2.gz XCYKIDZVWIFQOI-BBRMVZONSA-N 2 2 318.852 3.098 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000255954333 285189362 /nfs/dbraw/zinc/18/93/62/285189362.db2.gz GHBWUIHQWAKJPH-NVXWUHKLSA-N 2 2 316.445 3.440 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000255954333 285189366 /nfs/dbraw/zinc/18/93/66/285189366.db2.gz GHBWUIHQWAKJPH-NVXWUHKLSA-N 2 2 316.445 3.440 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(Cl)o3)[nH+]c2)C1 ZINC000345025631 254324149 /nfs/dbraw/zinc/32/41/49/254324149.db2.gz WNOJLISAUUUUGY-CYBMUJFWSA-N 2 2 320.824 3.080 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1csc(Cl)c1 ZINC000345282130 254349095 /nfs/dbraw/zinc/34/90/95/254349095.db2.gz YPAGULDVYKKFAS-GXTWGEPZSA-N 2 2 316.898 3.145 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000156101204 197087257 /nfs/dbraw/zinc/08/72/57/197087257.db2.gz GFNAMHLLGGSAJW-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@H+]1C ZINC000156101204 197087259 /nfs/dbraw/zinc/08/72/59/197087259.db2.gz GFNAMHLLGGSAJW-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000156101312 197087070 /nfs/dbraw/zinc/08/70/70/197087070.db2.gz GFNAMHLLGGSAJW-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@H+]1C ZINC000156101312 197087072 /nfs/dbraw/zinc/08/70/72/197087072.db2.gz GFNAMHLLGGSAJW-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036681 285224725 /nfs/dbraw/zinc/22/47/25/285224725.db2.gz GMYILRXGZWOLLS-ZDMBXUJBSA-N 2 2 304.331 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036681 285224730 /nfs/dbraw/zinc/22/47/30/285224730.db2.gz GMYILRXGZWOLLS-ZDMBXUJBSA-N 2 2 304.331 3.061 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414889229 533181974 /nfs/dbraw/zinc/18/19/74/533181974.db2.gz LEJZVOPHDVBCPW-IBGZPJMESA-N 2 2 310.441 3.498 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000120649467 195208488 /nfs/dbraw/zinc/20/84/88/195208488.db2.gz CURYBOAFNDCSDO-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP CC[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCOC1 ZINC000120866875 195253677 /nfs/dbraw/zinc/25/36/77/195253677.db2.gz NWAQFVIWHXYSOM-QYZOEREBSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H](CO)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000271578201 209029854 /nfs/dbraw/zinc/02/98/54/209029854.db2.gz WQMWYZLLBNVAFF-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP C[C@@H](CO)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000271587864 209034877 /nfs/dbraw/zinc/03/48/77/209034877.db2.gz XTJAWPHPJBSMPD-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305101673 285290154 /nfs/dbraw/zinc/29/01/54/285290154.db2.gz BLGXGTMWHCHGEW-OAHLLOKOSA-N 2 2 307.397 3.215 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000271602902 209051399 /nfs/dbraw/zinc/05/13/99/209051399.db2.gz URUBYBITWRKMJF-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@H](O)c2ccccc2)n1-c1ccccc1 ZINC000289508485 221028235 /nfs/dbraw/zinc/02/82/35/221028235.db2.gz UKOZACKQRLXJRU-FQEVSTJZSA-N 2 2 321.424 3.394 20 0 DGADLP CC[N@H+](Cc1c(Cl)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289562181 221069512 /nfs/dbraw/zinc/06/95/12/221069512.db2.gz YSZKVSLZPXZVJK-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP CC[N@@H+](Cc1c(Cl)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289562181 221069516 /nfs/dbraw/zinc/06/95/16/221069516.db2.gz YSZKVSLZPXZVJK-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)nc1 ZINC000289811825 221242757 /nfs/dbraw/zinc/24/27/57/221242757.db2.gz PLBJDHNNLMYKLA-LLVKDONJSA-N 2 2 324.266 3.122 20 0 DGADLP COCCN(C)c1ccc(CNc2cc(C3CC3)cc[nH+]2)c[nH+]1 ZINC000289909848 221309561 /nfs/dbraw/zinc/30/95/61/221309561.db2.gz UPROANVZTXFRGJ-UHFFFAOYSA-N 2 2 312.417 3.049 20 0 DGADLP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289994819 221368123 /nfs/dbraw/zinc/36/81/23/221368123.db2.gz KSLLUFZMBRALHZ-DYVFJYSZSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCc1c[nH+]cn1C ZINC000289994819 221368126 /nfs/dbraw/zinc/36/81/26/221368126.db2.gz KSLLUFZMBRALHZ-DYVFJYSZSA-N 2 2 319.836 3.078 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2ccncc2)c1 ZINC000349402977 285344024 /nfs/dbraw/zinc/34/40/24/285344024.db2.gz ASXZDHRVFYMRBX-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(-c2ccncc2)c1 ZINC000349402977 285344026 /nfs/dbraw/zinc/34/40/26/285344026.db2.gz ASXZDHRVFYMRBX-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839428 195359690 /nfs/dbraw/zinc/35/96/90/195359690.db2.gz XNQCPADTTGEUHU-UTKZUKDTSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839428 195359693 /nfs/dbraw/zinc/35/96/93/195359693.db2.gz XNQCPADTTGEUHU-UTKZUKDTSA-N 2 2 324.468 3.494 20 0 DGADLP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]cc2C)[NH+](C)C)cc1 ZINC000121971912 195382884 /nfs/dbraw/zinc/38/28/84/195382884.db2.gz CSFBDUSJLIPHJS-QGZVFWFLSA-N 2 2 312.417 3.123 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861885 195846975 /nfs/dbraw/zinc/84/69/75/195846975.db2.gz HAHXWWKYOWHZEH-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861885 195846977 /nfs/dbraw/zinc/84/69/77/195846977.db2.gz HAHXWWKYOWHZEH-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000356581199 285395734 /nfs/dbraw/zinc/39/57/34/285395734.db2.gz RTUIOCLZNYOFPX-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000356581199 285395736 /nfs/dbraw/zinc/39/57/36/285395736.db2.gz RTUIOCLZNYOFPX-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000356581199 285395739 /nfs/dbraw/zinc/39/57/39/285395739.db2.gz RTUIOCLZNYOFPX-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000356581199 285395740 /nfs/dbraw/zinc/39/57/40/285395740.db2.gz RTUIOCLZNYOFPX-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(CO)c1 ZINC000305626568 533445622 /nfs/dbraw/zinc/44/56/22/533445622.db2.gz CCUNBSATNJISGF-MRXNPFEDSA-N 2 2 321.424 3.275 20 0 DGADLP COc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1OC(C)C ZINC000414842945 533512367 /nfs/dbraw/zinc/51/23/67/533512367.db2.gz NPIDXHMLIHXBOE-UHFFFAOYSA-N 2 2 306.450 3.234 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432235284 533587481 /nfs/dbraw/zinc/58/74/81/533587481.db2.gz ZLHLOZWWRFQQDV-JTQLQIEISA-N 2 2 323.289 3.255 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000415128466 533647182 /nfs/dbraw/zinc/64/71/82/533647182.db2.gz NYOGSPTXNSEHNP-ZFWWWQNUSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@@H]1C[NH3+] ZINC000415128466 533647188 /nfs/dbraw/zinc/64/71/88/533647188.db2.gz NYOGSPTXNSEHNP-ZFWWWQNUSA-N 2 2 301.459 3.227 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163916164 132125586 /nfs/dbraw/zinc/12/55/86/132125586.db2.gz WEPBCPFAFUYULQ-DGCLKSJQSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163916164 132125587 /nfs/dbraw/zinc/12/55/87/132125587.db2.gz WEPBCPFAFUYULQ-DGCLKSJQSA-N 2 2 305.447 3.128 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCOCC1 ZINC000356872835 285531839 /nfs/dbraw/zinc/53/18/39/285531839.db2.gz PIFALPULILGMMF-HNNXBMFYSA-N 2 2 322.415 3.198 20 0 DGADLP CCOCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169763 545822756 /nfs/dbraw/zinc/82/27/56/545822756.db2.gz OMBJDVSZOJTEES-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CCOCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169763 545822761 /nfs/dbraw/zinc/82/27/61/545822761.db2.gz OMBJDVSZOJTEES-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000357781501 285866050 /nfs/dbraw/zinc/86/60/50/285866050.db2.gz ANMWKXHUDKBYLQ-WMLDXEAASA-N 2 2 301.434 3.318 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075569 400092619 /nfs/dbraw/zinc/09/26/19/400092619.db2.gz MMRZKVNYELXREH-UHFFFAOYSA-N 3 2 314.477 3.082 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075569 400092624 /nfs/dbraw/zinc/09/26/24/400092624.db2.gz MMRZKVNYELXREH-UHFFFAOYSA-N 3 2 314.477 3.082 20 0 DGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc2c(c1)OCCO2 ZINC000090847115 400079167 /nfs/dbraw/zinc/07/91/67/400079167.db2.gz URHPILPUBBILQV-KRWDZBQOSA-N 2 2 312.413 3.445 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914130 400082801 /nfs/dbraw/zinc/08/28/01/400082801.db2.gz KIJYCVQQTNYQOS-SXLOBPIMSA-N 2 2 316.489 3.346 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914130 400082804 /nfs/dbraw/zinc/08/28/04/400082804.db2.gz KIJYCVQQTNYQOS-SXLOBPIMSA-N 2 2 316.489 3.346 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000091621974 400128589 /nfs/dbraw/zinc/12/85/89/400128589.db2.gz NCGLLFPFXYHFIY-OLZOCXBDSA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000091621974 400128593 /nfs/dbraw/zinc/12/85/93/400128593.db2.gz NCGLLFPFXYHFIY-OLZOCXBDSA-N 2 2 317.389 3.038 20 0 DGADLP COc1ccc[nH+]c1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788624 400131816 /nfs/dbraw/zinc/13/18/16/400131816.db2.gz NZUBEIVTURVFQM-WBVHZDCISA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788624 400131822 /nfs/dbraw/zinc/13/18/22/400131822.db2.gz NZUBEIVTURVFQM-WBVHZDCISA-N 2 2 311.429 3.413 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071691 400152455 /nfs/dbraw/zinc/15/24/55/400152455.db2.gz COYYKJRPLJHYOL-ZDUSSCGKSA-N 2 2 311.389 3.081 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071691 400152462 /nfs/dbraw/zinc/15/24/62/400152462.db2.gz COYYKJRPLJHYOL-ZDUSSCGKSA-N 2 2 311.389 3.081 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072498 400154159 /nfs/dbraw/zinc/15/41/59/400154159.db2.gz ISIWYBSJEFGZMI-INIZCTEOSA-N 2 2 321.428 3.488 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072498 400154165 /nfs/dbraw/zinc/15/41/65/400154165.db2.gz ISIWYBSJEFGZMI-INIZCTEOSA-N 2 2 321.428 3.488 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404454904 400295649 /nfs/dbraw/zinc/29/56/49/400295649.db2.gz IUNPVLGKOFJNGB-PBHICJAKSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404454904 400295653 /nfs/dbraw/zinc/29/56/53/400295653.db2.gz IUNPVLGKOFJNGB-PBHICJAKSA-N 2 2 301.459 3.143 20 0 DGADLP c1nc2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000589633852 400311669 /nfs/dbraw/zinc/31/16/69/400311669.db2.gz UPDBBQXWZHFCNO-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP c1nc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2[nH]1 ZINC000589633852 400311671 /nfs/dbraw/zinc/31/16/71/400311671.db2.gz UPDBBQXWZHFCNO-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP COc1c(C)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093865886 400259429 /nfs/dbraw/zinc/25/94/29/400259429.db2.gz ASODJVUMMPXFBY-SFHVURJKSA-N 2 2 312.413 3.360 20 0 DGADLP COc1c(C)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093865886 400259433 /nfs/dbraw/zinc/25/94/33/400259433.db2.gz ASODJVUMMPXFBY-SFHVURJKSA-N 2 2 312.413 3.360 20 0 DGADLP Cc1cccn2cc(CN3CCC[C@H]3C[NH+]3CCCCC3)[nH+]c12 ZINC000069608007 400336308 /nfs/dbraw/zinc/33/63/08/400336308.db2.gz PRSGDOVUHWPWRQ-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP CCSC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000596653588 400473157 /nfs/dbraw/zinc/47/31/57/400473157.db2.gz VWZLQKONOHBCMS-DLBZAZTESA-N 2 2 320.502 3.364 20 0 DGADLP CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474895 400532311 /nfs/dbraw/zinc/53/23/11/400532311.db2.gz JQVRZIUMOZQXFJ-QKLQHJQFSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474895 400532315 /nfs/dbraw/zinc/53/23/15/400532315.db2.gz JQVRZIUMOZQXFJ-QKLQHJQFSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000591474895 400532321 /nfs/dbraw/zinc/53/23/21/400532321.db2.gz JQVRZIUMOZQXFJ-QKLQHJQFSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000591474895 400532326 /nfs/dbraw/zinc/53/23/26/400532326.db2.gz JQVRZIUMOZQXFJ-QKLQHJQFSA-N 2 2 318.505 3.378 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834978 400613690 /nfs/dbraw/zinc/61/36/90/400613690.db2.gz WXKQSNLKYFUNOC-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834978 400613694 /nfs/dbraw/zinc/61/36/94/400613694.db2.gz WXKQSNLKYFUNOC-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP C[NH+](C)Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000048169194 400646507 /nfs/dbraw/zinc/64/65/07/400646507.db2.gz DSBXVWPLYWLJPN-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000052666140 400743411 /nfs/dbraw/zinc/74/34/11/400743411.db2.gz ZDXOLNRINYKMCE-UHFFFAOYSA-N 2 2 322.412 3.045 20 0 DGADLP Clc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517363 400696698 /nfs/dbraw/zinc/69/66/98/400696698.db2.gz RYSIBUXWNLCVEX-MRXNPFEDSA-N 2 2 308.853 3.073 20 0 DGADLP c1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517354 400697218 /nfs/dbraw/zinc/69/72/18/400697218.db2.gz RFMFLUVRKKYZGL-KRWDZBQOSA-N 2 2 314.429 3.166 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC([NH+]4CCCCC4)CC3)cn2c1 ZINC000052005132 400713754 /nfs/dbraw/zinc/71/37/54/400713754.db2.gz OJGXUGYXTSXNIG-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Clc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000078542607 400808291 /nfs/dbraw/zinc/80/82/91/400808291.db2.gz QZMZLTHVPSPJHG-UHFFFAOYSA-N 2 2 304.821 3.471 20 0 DGADLP Clc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000078542607 400808293 /nfs/dbraw/zinc/80/82/93/400808293.db2.gz QZMZLTHVPSPJHG-UHFFFAOYSA-N 2 2 304.821 3.471 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC(C)C ZINC000078974087 400837074 /nfs/dbraw/zinc/83/70/74/400837074.db2.gz BVRUDERVMBBXHP-IAGOWNOFSA-N 2 2 318.461 3.199 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC(C)C ZINC000078974087 400837079 /nfs/dbraw/zinc/83/70/79/400837079.db2.gz BVRUDERVMBBXHP-IAGOWNOFSA-N 2 2 318.461 3.199 20 0 DGADLP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619428568 400845972 /nfs/dbraw/zinc/84/59/72/400845972.db2.gz NKKHIDQUJVRJEP-KRWDZBQOSA-N 2 2 318.461 3.234 20 0 DGADLP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619428568 400845976 /nfs/dbraw/zinc/84/59/76/400845976.db2.gz NKKHIDQUJVRJEP-KRWDZBQOSA-N 2 2 318.461 3.234 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2[nH+]1 ZINC000606358524 400902366 /nfs/dbraw/zinc/90/23/66/400902366.db2.gz NVEKZOQIGCXXIE-MRXNPFEDSA-N 2 2 314.433 3.328 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2[nH+]1 ZINC000606358524 400902371 /nfs/dbraw/zinc/90/23/71/400902371.db2.gz NVEKZOQIGCXXIE-MRXNPFEDSA-N 2 2 314.433 3.328 20 0 DGADLP CCC[C@H](C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)OCC ZINC000629514076 400952338 /nfs/dbraw/zinc/95/23/38/400952338.db2.gz IYEGCKIDLIBRGQ-QRVBRYPASA-N 2 2 320.477 3.283 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000358157107 285985512 /nfs/dbraw/zinc/98/55/12/285985512.db2.gz QZDPMXQDUMZVSN-OAHLLOKOSA-N 2 2 303.450 3.157 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000629536709 400965517 /nfs/dbraw/zinc/96/55/17/400965517.db2.gz IPJDSLKBARRXBI-NQBHXWOUSA-N 2 2 302.340 3.376 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000629555976 400972722 /nfs/dbraw/zinc/97/27/22/400972722.db2.gz QPRJWHYXQCBDQX-UHFFFAOYSA-N 2 2 320.440 3.320 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000629555976 400972728 /nfs/dbraw/zinc/97/27/28/400972728.db2.gz QPRJWHYXQCBDQX-UHFFFAOYSA-N 2 2 320.440 3.320 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629561267 400975488 /nfs/dbraw/zinc/97/54/88/400975488.db2.gz HJFNDOGBKMUQKZ-GHMZBOCLSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629561267 400975493 /nfs/dbraw/zinc/97/54/93/400975493.db2.gz HJFNDOGBKMUQKZ-GHMZBOCLSA-N 2 2 324.749 3.438 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nc(C)no2)c1 ZINC000615324078 401056606 /nfs/dbraw/zinc/05/66/06/401056606.db2.gz CLINQFSIVMSIHV-ZDUSSCGKSA-N 2 2 302.422 3.071 20 0 DGADLP CC[C@H](CO)Nc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c[nH+]1 ZINC000629741981 401071275 /nfs/dbraw/zinc/07/12/75/401071275.db2.gz KDFSFOFWNSZWAA-GOSISDBHSA-N 2 2 322.412 3.176 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000625267445 401078216 /nfs/dbraw/zinc/07/82/16/401078216.db2.gz XULQEVPXBJDLEI-MLGOLLRUSA-N 2 2 305.809 3.325 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000625267445 401078223 /nfs/dbraw/zinc/07/82/23/401078223.db2.gz XULQEVPXBJDLEI-MLGOLLRUSA-N 2 2 305.809 3.325 20 0 DGADLP C[C@@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@H]1C ZINC000246556986 401031321 /nfs/dbraw/zinc/03/13/21/401031321.db2.gz LOZNIPAYNCBEDK-WWGRRREGSA-N 2 2 322.416 3.447 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358222250 286001857 /nfs/dbraw/zinc/00/18/57/286001857.db2.gz HXNHGAHWUYYAQT-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358222250 286001858 /nfs/dbraw/zinc/00/18/58/286001858.db2.gz HXNHGAHWUYYAQT-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084024520 401125993 /nfs/dbraw/zinc/12/59/93/401125993.db2.gz LWCCOONBESKGSH-KBXCAEBGSA-N 2 2 301.434 3.067 20 0 DGADLP OCC1([N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CCCC1 ZINC000625454379 401133165 /nfs/dbraw/zinc/13/31/65/401133165.db2.gz ZEJMUUVIBKNWBX-UHFFFAOYSA-N 2 2 313.445 3.081 20 0 DGADLP OCC1([N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CCCC1 ZINC000625454379 401133168 /nfs/dbraw/zinc/13/31/68/401133168.db2.gz ZEJMUUVIBKNWBX-UHFFFAOYSA-N 2 2 313.445 3.081 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000249627642 401087283 /nfs/dbraw/zinc/08/72/83/401087283.db2.gz UKGYBAZOHDUXTA-GLJUWKHASA-N 2 2 300.446 3.287 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000249627642 401087289 /nfs/dbraw/zinc/08/72/89/401087289.db2.gz UKGYBAZOHDUXTA-GLJUWKHASA-N 2 2 300.446 3.287 20 0 DGADLP Cc1cn2ccc(NC(=O)CC[N@@H+](C)C3CCCCC3)cc2[nH+]1 ZINC000620652167 401166963 /nfs/dbraw/zinc/16/69/63/401166963.db2.gz YRSVPEXFAUMCSU-UHFFFAOYSA-N 2 2 314.433 3.236 20 0 DGADLP Cc1cn2ccc(NC(=O)CC[N@H+](C)C3CCCCC3)cc2[nH+]1 ZINC000620652167 401166967 /nfs/dbraw/zinc/16/69/67/401166967.db2.gz YRSVPEXFAUMCSU-UHFFFAOYSA-N 2 2 314.433 3.236 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000085688691 401173026 /nfs/dbraw/zinc/17/30/26/401173026.db2.gz YJILNVPUQWYSKA-KRWDZBQOSA-N 2 2 318.424 3.341 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000085688691 401173030 /nfs/dbraw/zinc/17/30/30/401173030.db2.gz YJILNVPUQWYSKA-KRWDZBQOSA-N 2 2 318.424 3.341 20 0 DGADLP FC1(F)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000625771710 401210888 /nfs/dbraw/zinc/21/08/88/401210888.db2.gz IRCQXLXVQLWSBV-UHFFFAOYSA-N 2 2 324.415 3.140 20 0 DGADLP FC1(F)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000625771710 401210890 /nfs/dbraw/zinc/21/08/90/401210890.db2.gz IRCQXLXVQLWSBV-UHFFFAOYSA-N 2 2 324.415 3.140 20 0 DGADLP OC1CCC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000090800103 401273853 /nfs/dbraw/zinc/27/38/53/401273853.db2.gz QDECNBQGRBATFM-UHFFFAOYSA-N 2 2 322.880 3.198 20 0 DGADLP CC(C)CSCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358359348 286041358 /nfs/dbraw/zinc/04/13/58/286041358.db2.gz UFCFAZBICTXLTO-UHFFFAOYSA-N 2 2 307.507 3.025 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626152880 401313120 /nfs/dbraw/zinc/31/31/20/401313120.db2.gz LDEDJPGSZJRMMM-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626152880 401313123 /nfs/dbraw/zinc/31/31/23/401313123.db2.gz LDEDJPGSZJRMMM-UHFFFAOYSA-N 2 2 303.381 3.005 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000634678064 401331300 /nfs/dbraw/zinc/33/13/00/401331300.db2.gz HMGNXDZQDPKSIU-HUUCEWRRSA-N 2 2 308.491 3.432 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004909 401335060 /nfs/dbraw/zinc/33/50/60/401335060.db2.gz WGZITHCWBRZXDG-RHSMWYFYSA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004909 401335062 /nfs/dbraw/zinc/33/50/62/401335062.db2.gz WGZITHCWBRZXDG-RHSMWYFYSA-N 2 2 316.836 3.043 20 0 DGADLP CC(=O)N1CC[C@@H]([NH2+]CCc2cc[nH+]cc2C)c2ccccc21 ZINC000621756190 401295740 /nfs/dbraw/zinc/29/57/40/401295740.db2.gz HXKJZTSRZRZJNZ-GOSISDBHSA-N 2 2 309.413 3.020 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000358409985 286054203 /nfs/dbraw/zinc/05/42/03/286054203.db2.gz VHDIAARXJCGJCD-MJXNMMHHSA-N 2 2 300.446 3.145 20 0 DGADLP Clc1c(Br)cccc1C[NH2+]CCn1cc[nH+]c1 ZINC000631034230 401373607 /nfs/dbraw/zinc/37/36/07/401373607.db2.gz PIISDBFETWWOMP-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000358409985 286054202 /nfs/dbraw/zinc/05/42/02/286054202.db2.gz VHDIAARXJCGJCD-MJXNMMHHSA-N 2 2 300.446 3.145 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631195087 401422857 /nfs/dbraw/zinc/42/28/57/401422857.db2.gz BBGCIMBPCXIRDW-YOEHRIQHSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cs1 ZINC000631195087 401422861 /nfs/dbraw/zinc/42/28/61/401422861.db2.gz BBGCIMBPCXIRDW-YOEHRIQHSA-N 2 2 315.486 3.309 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000623088535 401463160 /nfs/dbraw/zinc/46/31/60/401463160.db2.gz RAXLYXWBCKMZLN-UHFFFAOYSA-N 2 2 302.796 3.407 20 0 DGADLP Cc1ccc([C@H](C[NH2+]Cc2cccc3n[nH]cc32)[NH+](C)C)cc1 ZINC000623383199 401505286 /nfs/dbraw/zinc/50/52/86/401505286.db2.gz IUGDZZIFPIYCFP-IBGZPJMESA-N 2 2 308.429 3.264 20 0 DGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000631586377 401506692 /nfs/dbraw/zinc/50/66/92/401506692.db2.gz ZJGSACRZGOJJGO-LJQANCHMSA-N 2 2 321.424 3.471 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588138 401507043 /nfs/dbraw/zinc/50/70/43/401507043.db2.gz ZKWBIEDOBHBATL-CPUCHLNUSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588138 401507047 /nfs/dbraw/zinc/50/70/47/401507047.db2.gz ZKWBIEDOBHBATL-CPUCHLNUSA-N 2 2 318.461 3.370 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@@H+]1Cc1ccccc1 ZINC000623445823 401520549 /nfs/dbraw/zinc/52/05/49/401520549.db2.gz GPBIMOFFFZWXGQ-MAUKXSAKSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623445823 401520550 /nfs/dbraw/zinc/52/05/50/401520550.db2.gz GPBIMOFFFZWXGQ-MAUKXSAKSA-N 2 2 320.440 3.316 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCc4ncccc43)cn21 ZINC000631643384 401522140 /nfs/dbraw/zinc/52/21/40/401522140.db2.gz VOBKWLOTRQWKCT-SFHVURJKSA-N 2 2 306.413 3.247 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000631662286 401528583 /nfs/dbraw/zinc/52/85/83/401528583.db2.gz DOUQGBVPPJWLDH-QILLFSRXSA-N 2 2 313.445 3.402 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000631662286 401528585 /nfs/dbraw/zinc/52/85/85/401528585.db2.gz DOUQGBVPPJWLDH-QILLFSRXSA-N 2 2 313.445 3.402 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663702 401528651 /nfs/dbraw/zinc/52/86/51/401528651.db2.gz KMFPOTCSLPVVTG-IEZWGBDMSA-N 2 2 324.472 3.204 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663702 401528653 /nfs/dbraw/zinc/52/86/53/401528653.db2.gz KMFPOTCSLPVVTG-IEZWGBDMSA-N 2 2 324.472 3.204 20 0 DGADLP Cc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[nH]c1C ZINC000628134200 401531269 /nfs/dbraw/zinc/53/12/69/401531269.db2.gz ICVCSYFCUBHSJY-UHFFFAOYSA-N 2 2 304.482 3.115 20 0 DGADLP Cc1[nH]c(CN2CCC(C[NH+]3CCCCCC3)CC2)[nH+]c1C ZINC000628134200 401531271 /nfs/dbraw/zinc/53/12/71/401531271.db2.gz ICVCSYFCUBHSJY-UHFFFAOYSA-N 2 2 304.482 3.115 20 0 DGADLP Cc1[nH]c(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000628145617 401533583 /nfs/dbraw/zinc/53/35/83/401533583.db2.gz QVQBECJQVZAOPD-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000628145617 401533585 /nfs/dbraw/zinc/53/35/85/401533585.db2.gz QVQBECJQVZAOPD-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP CN(C)c1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc(F)c1F ZINC000628147883 401534096 /nfs/dbraw/zinc/53/40/96/401534096.db2.gz ZREYDSJJKIGOSI-ZDUSSCGKSA-N 2 2 320.387 3.134 20 0 DGADLP CN(C)c1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc(F)c1F ZINC000628147883 401534098 /nfs/dbraw/zinc/53/40/98/401534098.db2.gz ZREYDSJJKIGOSI-ZDUSSCGKSA-N 2 2 320.387 3.134 20 0 DGADLP Cc1csc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)n1 ZINC000623902940 401596932 /nfs/dbraw/zinc/59/69/32/401596932.db2.gz URSJAWFUDHSGLM-ZDUSSCGKSA-N 2 2 300.431 3.301 20 0 DGADLP Cc1c[nH]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000628170382 401541333 /nfs/dbraw/zinc/54/13/33/401541333.db2.gz YAMOKDNRVRODPD-SJLPKXTDSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1c[nH]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000628170382 401541335 /nfs/dbraw/zinc/54/13/35/401541335.db2.gz YAMOKDNRVRODPD-SJLPKXTDSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000628181527 401542985 /nfs/dbraw/zinc/54/29/85/401542985.db2.gz GRHHJBQUQMSCQX-CABCVRRESA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000628181527 401542989 /nfs/dbraw/zinc/54/29/89/401542989.db2.gz GRHHJBQUQMSCQX-CABCVRRESA-N 2 2 312.461 3.121 20 0 DGADLP C[C@@H](C[NH2+]CCc1cccc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000628214353 401552328 /nfs/dbraw/zinc/55/23/28/401552328.db2.gz TVQHJHCURZBNLC-LBPRGKRZSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](C[NH2+]CCc1cccc(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000628214353 401552331 /nfs/dbraw/zinc/55/23/31/401552331.db2.gz TVQHJHCURZBNLC-LBPRGKRZSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239492 401558218 /nfs/dbraw/zinc/55/82/18/401558218.db2.gz TUFBYJBLHXNMFO-YWZLYKJASA-N 2 2 320.440 3.173 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239492 401558220 /nfs/dbraw/zinc/55/82/20/401558220.db2.gz TUFBYJBLHXNMFO-YWZLYKJASA-N 2 2 320.440 3.173 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634517 401559273 /nfs/dbraw/zinc/55/92/73/401559273.db2.gz HLSUVLCVAHUSGK-QGZVFWFLSA-N 2 2 318.852 3.018 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634517 401559275 /nfs/dbraw/zinc/55/92/75/401559275.db2.gz HLSUVLCVAHUSGK-QGZVFWFLSA-N 2 2 318.852 3.018 20 0 DGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000631833620 401560192 /nfs/dbraw/zinc/56/01/92/401560192.db2.gz DWQUPSOWEOGWFE-OAHLLOKOSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000631833620 401560193 /nfs/dbraw/zinc/56/01/93/401560193.db2.gz DWQUPSOWEOGWFE-OAHLLOKOSA-N 2 2 303.381 3.184 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C2CCC2)cc1 ZINC000427707726 292205145 /nfs/dbraw/zinc/20/51/45/292205145.db2.gz RVKYSLCUBKCQSV-XLIONFOSSA-N 2 2 316.489 3.394 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000358838955 286165871 /nfs/dbraw/zinc/16/58/71/286165871.db2.gz YWJGYENRHGMPJB-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000358838955 286165873 /nfs/dbraw/zinc/16/58/73/286165873.db2.gz YWJGYENRHGMPJB-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccn(C(F)F)n1 ZINC000359125850 286242793 /nfs/dbraw/zinc/24/27/93/286242793.db2.gz VJQSFCNQBJPXBG-UHFFFAOYSA-N 2 2 314.424 3.413 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263850 286271486 /nfs/dbraw/zinc/27/14/86/286271486.db2.gz OORSKOXQXYPPPE-PBHICJAKSA-N 2 2 317.433 3.304 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263850 286271487 /nfs/dbraw/zinc/27/14/87/286271487.db2.gz OORSKOXQXYPPPE-PBHICJAKSA-N 2 2 317.433 3.304 20 0 DGADLP COCC1CCC([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295512201 292266028 /nfs/dbraw/zinc/26/60/28/292266028.db2.gz VAIMNRFZNMKQHA-JVDULTGUSA-N 2 2 304.478 3.473 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cn1 ZINC000359640506 286352170 /nfs/dbraw/zinc/35/21/70/286352170.db2.gz PDLBSVWTIIEIMF-GFCCVEGCSA-N 2 2 304.825 3.161 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)CCCOC)[N@@H+]1CCc2ccccc2C1 ZINC000359660999 286356075 /nfs/dbraw/zinc/35/60/75/286356075.db2.gz DYDITIHDPBMXQG-QFBILLFUSA-N 2 2 304.478 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)CCCOC)[N@H+]1CCc2ccccc2C1 ZINC000359660999 286356077 /nfs/dbraw/zinc/35/60/77/286356077.db2.gz DYDITIHDPBMXQG-QFBILLFUSA-N 2 2 304.478 3.228 20 0 DGADLP Fc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000359682349 286360206 /nfs/dbraw/zinc/36/02/06/286360206.db2.gz VZMNMLGLUZEBHF-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000359687883 286361262 /nfs/dbraw/zinc/36/12/62/286361262.db2.gz OVAILLXLNZKFHU-AWEZNQCLSA-N 2 2 304.482 3.008 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000423322280 286363151 /nfs/dbraw/zinc/36/31/51/286363151.db2.gz GKCQPHYBCKVBKN-RCCFBDPRSA-N 2 2 300.446 3.063 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H](C)OC)c1cccc(OC)c1 ZINC000359762667 286376874 /nfs/dbraw/zinc/37/68/74/286376874.db2.gz FCIPHKNEEPBRNH-RLFYNMQTSA-N 2 2 308.466 3.091 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000359925144 286389640 /nfs/dbraw/zinc/38/96/40/286389640.db2.gz QSPZUZHJSPCLSY-QGZVFWFLSA-N 2 2 320.477 3.302 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246964351 292337483 /nfs/dbraw/zinc/33/74/83/292337483.db2.gz IAYFBTLYWLOJFL-RKVPGOIHSA-N 2 2 300.446 3.424 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246964351 292337484 /nfs/dbraw/zinc/33/74/84/292337484.db2.gz IAYFBTLYWLOJFL-RKVPGOIHSA-N 2 2 300.446 3.424 20 0 DGADLP Cc1nc(NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc[nH+]1 ZINC000361025153 286579557 /nfs/dbraw/zinc/57/95/57/286579557.db2.gz JRRFVYFBWKZPJS-YJBOKZPZSA-N 2 2 312.461 3.384 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000076898119 289484134 /nfs/dbraw/zinc/48/41/34/289484134.db2.gz OUEUGHKEQFFBMQ-GFCCVEGCSA-N 2 2 317.260 3.194 20 0 DGADLP CCO[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000361364849 286661824 /nfs/dbraw/zinc/66/18/24/286661824.db2.gz FYVZZWHSYPXOIB-HNNXBMFYSA-N 2 2 324.431 3.444 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000178247851 292382513 /nfs/dbraw/zinc/38/25/13/292382513.db2.gz CNBCFEHTCPOFRR-QFBILLFUSA-N 2 2 320.477 3.237 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCO2 ZINC000361481386 286678104 /nfs/dbraw/zinc/67/81/04/286678104.db2.gz MGKIBAFFPDMYIX-CQSZACIVSA-N 2 2 321.380 3.452 20 0 DGADLP c1csc(C[NH+]2CCN(c3cc[nH+]c4ccncc43)CC2)c1 ZINC000362844630 286868565 /nfs/dbraw/zinc/86/85/65/286868565.db2.gz VNUIYCPMMJTBOF-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000364757489 287058756 /nfs/dbraw/zinc/05/87/56/287058756.db2.gz HIRYPTUQBSIGNU-NSHDSACASA-N 2 2 324.222 3.155 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000364757489 287058757 /nfs/dbraw/zinc/05/87/57/287058757.db2.gz HIRYPTUQBSIGNU-NSHDSACASA-N 2 2 324.222 3.155 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000364845994 287066902 /nfs/dbraw/zinc/06/69/02/287066902.db2.gz ZFRURGQTSBWJAV-DLBZAZTESA-N 2 2 304.503 3.382 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000364845994 287066904 /nfs/dbraw/zinc/06/69/04/287066904.db2.gz ZFRURGQTSBWJAV-DLBZAZTESA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CCC[NH2+]C1 ZINC000166887935 164603905 /nfs/dbraw/zinc/60/39/05/164603905.db2.gz GZAZQDDHXTYMSH-ZFWWWQNUSA-N 2 2 312.417 3.041 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(F)nc3)CC2)cc1 ZINC000188995983 165144295 /nfs/dbraw/zinc/14/42/95/165144295.db2.gz CUXYVWOZEURVAI-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP Cc1cncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000189908653 165183005 /nfs/dbraw/zinc/18/30/05/165183005.db2.gz LPQSOEZRTXAQQC-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000189908653 165183008 /nfs/dbraw/zinc/18/30/08/165183008.db2.gz LPQSOEZRTXAQQC-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000189908653 165183015 /nfs/dbraw/zinc/18/30/15/165183015.db2.gz LPQSOEZRTXAQQC-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000189908653 165183017 /nfs/dbraw/zinc/18/30/17/165183017.db2.gz LPQSOEZRTXAQQC-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1nccn1-c1ccccc1)C(C)C ZINC000191263279 165239449 /nfs/dbraw/zinc/23/94/49/165239449.db2.gz XETFZWDPCOUKLU-UHFFFAOYSA-N 2 2 314.477 3.471 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@@H+]1C1CC1 ZINC000191301312 165242531 /nfs/dbraw/zinc/24/25/31/165242531.db2.gz GQJKCFQQMSKCCT-WMLDXEAASA-N 2 2 300.446 3.190 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@H+]1C1CC1 ZINC000191301312 165242534 /nfs/dbraw/zinc/24/25/34/165242534.db2.gz GQJKCFQQMSKCCT-WMLDXEAASA-N 2 2 300.446 3.190 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC(c4ccncc4)CC3)cn2)c[nH+]1 ZINC000191673290 165265024 /nfs/dbraw/zinc/26/50/24/165265024.db2.gz UWEMWGKXWBHPFM-UHFFFAOYSA-N 2 2 319.412 3.042 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000192120382 165282307 /nfs/dbraw/zinc/28/23/07/165282307.db2.gz VZYBQSFJSPWSAH-KRWDZBQOSA-N 2 2 301.434 3.020 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000192120382 165282310 /nfs/dbraw/zinc/28/23/10/165282310.db2.gz VZYBQSFJSPWSAH-KRWDZBQOSA-N 2 2 301.434 3.020 20 0 DGADLP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCCC1 ZINC000192647913 165299856 /nfs/dbraw/zinc/29/98/56/165299856.db2.gz KEZQNAYPBUFDIA-XVLXNVKGSA-N 3 2 307.526 3.102 20 0 DGADLP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCCC1 ZINC000192647913 165299859 /nfs/dbraw/zinc/29/98/59/165299859.db2.gz KEZQNAYPBUFDIA-XVLXNVKGSA-N 3 2 307.526 3.102 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343942 165385077 /nfs/dbraw/zinc/38/50/77/165385077.db2.gz HQOYXRGCXXMPSQ-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343942 165385082 /nfs/dbraw/zinc/38/50/82/165385082.db2.gz HQOYXRGCXXMPSQ-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343942 165385086 /nfs/dbraw/zinc/38/50/86/165385086.db2.gz HQOYXRGCXXMPSQ-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3Br)CC[C@H]21 ZINC000227343942 165385092 /nfs/dbraw/zinc/38/50/92/165385092.db2.gz HQOYXRGCXXMPSQ-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365621402 287154447 /nfs/dbraw/zinc/15/44/47/287154447.db2.gz DMLCMLINSKDRKD-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365621402 287154448 /nfs/dbraw/zinc/15/44/48/287154448.db2.gz DMLCMLINSKDRKD-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000365647222 287157535 /nfs/dbraw/zinc/15/75/35/287157535.db2.gz BYMQRNAKYBMLHJ-AWEZNQCLSA-N 2 2 319.836 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000365647222 287157537 /nfs/dbraw/zinc/15/75/37/287157537.db2.gz BYMQRNAKYBMLHJ-AWEZNQCLSA-N 2 2 319.836 3.332 20 0 DGADLP CCCCOc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000129230563 196030748 /nfs/dbraw/zinc/03/07/48/196030748.db2.gz HYQKPWDGLLEKHU-INIZCTEOSA-N 2 2 301.434 3.488 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000171689353 432159617 /nfs/dbraw/zinc/15/96/17/432159617.db2.gz YOCFGXKVLBVKPX-UHFFFAOYSA-N 2 2 301.409 3.336 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246752532 432161903 /nfs/dbraw/zinc/16/19/03/432161903.db2.gz HHHLZBFYFFLBTI-STQMWFEESA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246752532 432161906 /nfs/dbraw/zinc/16/19/06/432161906.db2.gz HHHLZBFYFFLBTI-STQMWFEESA-N 2 2 311.267 3.394 20 0 DGADLP c1sc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129558709 196057501 /nfs/dbraw/zinc/05/75/01/196057501.db2.gz JWDOJLRUGHVHKI-OAHLLOKOSA-N 2 2 316.470 3.055 20 0 DGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129558709 196057503 /nfs/dbraw/zinc/05/75/03/196057503.db2.gz JWDOJLRUGHVHKI-OAHLLOKOSA-N 2 2 316.470 3.055 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246818540 432168339 /nfs/dbraw/zinc/16/83/39/432168339.db2.gz ANTAEXHBIPMNRC-QFBILLFUSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246818540 432168344 /nfs/dbraw/zinc/16/83/44/432168344.db2.gz ANTAEXHBIPMNRC-QFBILLFUSA-N 3 2 307.526 3.103 20 0 DGADLP COC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182236402 432170063 /nfs/dbraw/zinc/17/00/63/432170063.db2.gz SCCUCAVEZKDXQK-KRWDZBQOSA-N 2 2 312.404 3.118 20 0 DGADLP C[C@H](Cn1cccn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000137914006 432180796 /nfs/dbraw/zinc/18/07/96/432180796.db2.gz NQALFFZGZMPLQI-QGZVFWFLSA-N 2 2 304.482 3.050 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246856113 432173285 /nfs/dbraw/zinc/17/32/85/432173285.db2.gz PHODZVZXZMNMCH-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246856113 432173290 /nfs/dbraw/zinc/17/32/90/432173290.db2.gz PHODZVZXZMNMCH-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246856113 432173299 /nfs/dbraw/zinc/17/32/99/432173299.db2.gz PHODZVZXZMNMCH-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP CC[N@H+](C[C@H]1CC[C@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000190612780 432174427 /nfs/dbraw/zinc/17/44/27/432174427.db2.gz UKECQYJSCFKZAN-FUHWJXTLSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](C[C@H]1CC[C@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000190612780 432174431 /nfs/dbraw/zinc/17/44/31/432174431.db2.gz UKECQYJSCFKZAN-FUHWJXTLSA-N 2 2 317.477 3.187 20 0 DGADLP Clc1cnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000182415142 432188024 /nfs/dbraw/zinc/18/80/24/432188024.db2.gz IZSJDJHSIDOVBG-UHFFFAOYSA-N 2 2 311.216 3.422 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000247033227 432193693 /nfs/dbraw/zinc/19/36/93/432193693.db2.gz VPTIDSZZJWXJSL-MLHJIOFPSA-N 2 2 302.462 3.083 20 0 DGADLP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000150894174 432200262 /nfs/dbraw/zinc/20/02/62/432200262.db2.gz CTBIFOYNCZCMPQ-MRXNPFEDSA-N 2 2 302.466 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC[N@@H+]1C ZINC000247085889 432200583 /nfs/dbraw/zinc/20/05/83/432200583.db2.gz RGWIQZCSVHZQDM-ZACQAIPSSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000247085889 432200587 /nfs/dbraw/zinc/20/05/87/432200587.db2.gz RGWIQZCSVHZQDM-ZACQAIPSSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085889 432200590 /nfs/dbraw/zinc/20/05/90/432200590.db2.gz RGWIQZCSVHZQDM-ZACQAIPSSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000247085889 432200593 /nfs/dbraw/zinc/20/05/93/432200593.db2.gz RGWIQZCSVHZQDM-ZACQAIPSSA-N 3 2 321.534 3.032 20 0 DGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000269858270 432215291 /nfs/dbraw/zinc/21/52/91/432215291.db2.gz HZHJJNHMDHPMQP-MRXNPFEDSA-N 2 2 313.351 3.432 20 0 DGADLP CCCCc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000247136060 432205790 /nfs/dbraw/zinc/20/57/90/432205790.db2.gz AVNXWFWOLCZAIG-GOEBONIOSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000247136060 432205793 /nfs/dbraw/zinc/20/57/93/432205793.db2.gz AVNXWFWOLCZAIG-GOEBONIOSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000247136060 432205796 /nfs/dbraw/zinc/20/57/96/432205796.db2.gz AVNXWFWOLCZAIG-GOEBONIOSA-N 2 2 307.507 3.402 20 0 DGADLP CCCCc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000247136060 432205801 /nfs/dbraw/zinc/20/58/01/432205801.db2.gz AVNXWFWOLCZAIG-GOEBONIOSA-N 2 2 307.507 3.402 20 0 DGADLP Fc1ccc(OC2CC[NH+](CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000182684951 432217671 /nfs/dbraw/zinc/21/76/71/432217671.db2.gz QOLKMWZZJXPDPY-UHFFFAOYSA-N 2 2 321.371 3.095 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673415 196189812 /nfs/dbraw/zinc/18/98/12/196189812.db2.gz HFFIRCKRRJNWMT-NWDGAFQWSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673415 196189813 /nfs/dbraw/zinc/18/98/13/196189813.db2.gz HFFIRCKRRJNWMT-NWDGAFQWSA-N 2 2 305.809 3.164 20 0 DGADLP CC(C)C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000131870320 196205228 /nfs/dbraw/zinc/20/52/28/196205228.db2.gz VZCXUZOVEOSROW-IBGZPJMESA-N 2 2 303.494 3.221 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000295802640 225256386 /nfs/dbraw/zinc/25/63/86/225256386.db2.gz CGCWXVVSXYFJDU-LPHOPBHVSA-N 2 2 324.472 3.492 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000295802640 225256387 /nfs/dbraw/zinc/25/63/87/225256387.db2.gz CGCWXVVSXYFJDU-LPHOPBHVSA-N 2 2 324.472 3.492 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)c(F)c1 ZINC000130989282 292645053 /nfs/dbraw/zinc/64/50/53/292645053.db2.gz DRNVDPRLQYFOBI-JTQLQIEISA-N 2 2 312.186 3.136 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(Cl)c1OC ZINC000070148797 263522561 /nfs/dbraw/zinc/52/25/61/263522561.db2.gz IJONZUBECXORBP-CYBMUJFWSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(Cl)c1OC ZINC000070148797 263522566 /nfs/dbraw/zinc/52/25/66/263522566.db2.gz IJONZUBECXORBP-CYBMUJFWSA-N 2 2 312.841 3.061 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000070148421 263522918 /nfs/dbraw/zinc/52/29/18/263522918.db2.gz HODPMRHKNFFXND-CYBMUJFWSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1F ZINC000070148421 263522921 /nfs/dbraw/zinc/52/29/21/263522921.db2.gz HODPMRHKNFFXND-CYBMUJFWSA-N 2 2 315.230 3.292 20 0 DGADLP COC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000193667221 263797819 /nfs/dbraw/zinc/79/78/19/263797819.db2.gz TWXSRHVSNZFZSZ-QGZVFWFLSA-N 2 2 310.869 3.493 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2cccnc2)cc1 ZINC000346446102 264033218 /nfs/dbraw/zinc/03/32/18/264033218.db2.gz RCDYXEIIVVWNKB-LJQANCHMSA-N 2 2 313.420 3.386 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000346465830 264037128 /nfs/dbraw/zinc/03/71/28/264037128.db2.gz RQTBEGWXQWPBNI-LSTHTHJFSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000346465830 264037130 /nfs/dbraw/zinc/03/71/30/264037130.db2.gz RQTBEGWXQWPBNI-LSTHTHJFSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000346547913 264051003 /nfs/dbraw/zinc/05/10/03/264051003.db2.gz CBSDHQYXNPCUSK-NZSAHSFTSA-N 2 2 302.462 3.289 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346584386 264059566 /nfs/dbraw/zinc/05/95/66/264059566.db2.gz XHUAGHHXBKFEEO-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346584386 264059569 /nfs/dbraw/zinc/05/95/69/264059569.db2.gz XHUAGHHXBKFEEO-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000346648332 264072656 /nfs/dbraw/zinc/07/26/56/264072656.db2.gz DJHYKUNFQDYMQJ-LSDHHAIUSA-N 2 2 321.428 3.057 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000346648332 264072658 /nfs/dbraw/zinc/07/26/58/264072658.db2.gz DJHYKUNFQDYMQJ-LSDHHAIUSA-N 2 2 321.428 3.057 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000346648329 264072819 /nfs/dbraw/zinc/07/28/19/264072819.db2.gz DJHYKUNFQDYMQJ-HUUCEWRRSA-N 2 2 321.428 3.057 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000346648329 264072820 /nfs/dbraw/zinc/07/28/20/264072820.db2.gz DJHYKUNFQDYMQJ-HUUCEWRRSA-N 2 2 321.428 3.057 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784457 264095797 /nfs/dbraw/zinc/09/57/97/264095797.db2.gz BOOMXFDYWQZOOS-WOSRLPQWSA-N 2 2 315.461 3.050 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346784457 264095798 /nfs/dbraw/zinc/09/57/98/264095798.db2.gz BOOMXFDYWQZOOS-WOSRLPQWSA-N 2 2 315.461 3.050 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795057 264098524 /nfs/dbraw/zinc/09/85/24/264098524.db2.gz MQYBMWFHJWMOMB-ZYHUDNBSSA-N 2 2 309.866 3.380 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795057 264098526 /nfs/dbraw/zinc/09/85/26/264098526.db2.gz MQYBMWFHJWMOMB-ZYHUDNBSSA-N 2 2 309.866 3.380 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802522 264100022 /nfs/dbraw/zinc/10/00/22/264100022.db2.gz TYDJFNCOBGLNAQ-VNQPRFMTSA-N 2 2 306.450 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802522 264100025 /nfs/dbraw/zinc/10/00/25/264100025.db2.gz TYDJFNCOBGLNAQ-VNQPRFMTSA-N 2 2 306.450 3.227 20 0 DGADLP Cc1nc(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)c(C)o1 ZINC000346838228 264106098 /nfs/dbraw/zinc/10/60/98/264106098.db2.gz YDPDZZUTGVRYEY-UHFFFAOYSA-N 2 2 310.401 3.118 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000346858750 264110285 /nfs/dbraw/zinc/11/02/85/264110285.db2.gz RUTRSFSYGWWGKE-HOTGVXAUSA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000346858750 264110286 /nfs/dbraw/zinc/11/02/86/264110286.db2.gz RUTRSFSYGWWGKE-HOTGVXAUSA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(OCCC(C)C)cc2)[C@H](C[NH3+])C1 ZINC000346857707 264110487 /nfs/dbraw/zinc/11/04/87/264110487.db2.gz XNUQVMWBLSRTDI-PKOBYXMFSA-N 2 2 320.477 3.050 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(OCCC(C)C)cc2)[C@H](C[NH3+])C1 ZINC000346857707 264110489 /nfs/dbraw/zinc/11/04/89/264110489.db2.gz XNUQVMWBLSRTDI-PKOBYXMFSA-N 2 2 320.477 3.050 20 0 DGADLP Clc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346962952 264128082 /nfs/dbraw/zinc/12/80/82/264128082.db2.gz AFSMBHMTDNEOQE-BBRMVZONSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346962952 264128084 /nfs/dbraw/zinc/12/80/84/264128084.db2.gz AFSMBHMTDNEOQE-BBRMVZONSA-N 2 2 310.894 3.430 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347010028 264138748 /nfs/dbraw/zinc/13/87/48/264138748.db2.gz SZBUVNCVENTLQP-JKSUJKDBSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347010028 264138751 /nfs/dbraw/zinc/13/87/51/264138751.db2.gz SZBUVNCVENTLQP-JKSUJKDBSA-N 2 2 321.896 3.018 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000347019887 264140650 /nfs/dbraw/zinc/14/06/50/264140650.db2.gz LXOHUUVZSKTTSV-QGZVFWFLSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000347019887 264140652 /nfs/dbraw/zinc/14/06/52/264140652.db2.gz LXOHUUVZSKTTSV-QGZVFWFLSA-N 2 2 314.404 3.328 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OC(C)C ZINC000347034869 264145342 /nfs/dbraw/zinc/14/53/42/264145342.db2.gz DESJUZBLURKPKL-ZBFHGGJFSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OC(C)C ZINC000347034869 264145344 /nfs/dbraw/zinc/14/53/44/264145344.db2.gz DESJUZBLURKPKL-ZBFHGGJFSA-N 2 2 306.450 3.042 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064752 264149538 /nfs/dbraw/zinc/14/95/38/264149538.db2.gz XONIJDOEFNHSPE-HOTGVXAUSA-N 2 2 305.466 3.012 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064752 264149540 /nfs/dbraw/zinc/14/95/40/264149540.db2.gz XONIJDOEFNHSPE-HOTGVXAUSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064752 264149542 /nfs/dbraw/zinc/14/95/42/264149542.db2.gz XONIJDOEFNHSPE-HOTGVXAUSA-N 2 2 305.466 3.012 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2OC)C[C@@H]1C ZINC000347064752 264149543 /nfs/dbraw/zinc/14/95/43/264149543.db2.gz XONIJDOEFNHSPE-HOTGVXAUSA-N 2 2 305.466 3.012 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063328 264149777 /nfs/dbraw/zinc/14/97/77/264149777.db2.gz JFJKHKUBGFQKDD-IPYPFGDCSA-N 2 2 315.383 3.080 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063328 264149780 /nfs/dbraw/zinc/14/97/80/264149780.db2.gz JFJKHKUBGFQKDD-IPYPFGDCSA-N 2 2 315.383 3.080 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)sc1Br ZINC000347100654 264156573 /nfs/dbraw/zinc/15/65/73/264156573.db2.gz JZOREGHBDLYFBJ-WDEREUQCSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)sc1Br ZINC000347100654 264156574 /nfs/dbraw/zinc/15/65/74/264156574.db2.gz JZOREGHBDLYFBJ-WDEREUQCSA-N 2 2 317.296 3.378 20 0 DGADLP c1c(C[NH+]2CCC([NH2+]CC3CC3)CC2)[nH]nc1-c1ccccc1 ZINC000347123198 264160506 /nfs/dbraw/zinc/16/05/06/264160506.db2.gz WXSUGNYHMLBJIM-UHFFFAOYSA-N 2 2 310.445 3.041 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347178098 264170341 /nfs/dbraw/zinc/17/03/41/264170341.db2.gz SEMXZZSQVWVKME-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347178098 264170343 /nfs/dbraw/zinc/17/03/43/264170343.db2.gz SEMXZZSQVWVKME-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP Cc1cc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)ccc1Br ZINC000347183403 264171391 /nfs/dbraw/zinc/17/13/91/264171391.db2.gz WWLMAYOQOWHPJS-CQSZACIVSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1cc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)ccc1Br ZINC000347183403 264171390 /nfs/dbraw/zinc/17/13/90/264171390.db2.gz WWLMAYOQOWHPJS-CQSZACIVSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347304061 264193829 /nfs/dbraw/zinc/19/38/29/264193829.db2.gz IADCEXSCFVIBER-PXNSSMCTSA-N 2 2 324.472 3.239 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000347793322 264286730 /nfs/dbraw/zinc/28/67/30/264286730.db2.gz WULXZIRYNMLGOR-CQSZACIVSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000347793322 264286733 /nfs/dbraw/zinc/28/67/33/264286733.db2.gz WULXZIRYNMLGOR-CQSZACIVSA-N 2 2 319.449 3.333 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCN1CCc2ccccc21 ZINC000347913517 264304933 /nfs/dbraw/zinc/30/49/33/264304933.db2.gz AEVNJRIODFNFOG-UHFFFAOYSA-N 2 2 309.457 3.365 20 0 DGADLP Cc1ccncc1CCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000347921109 264305676 /nfs/dbraw/zinc/30/56/76/264305676.db2.gz LTUJGVKQIKGVBR-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000347921109 264305677 /nfs/dbraw/zinc/30/56/77/264305677.db2.gz LTUJGVKQIKGVBR-UHFFFAOYSA-N 3 2 320.440 3.357 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150715 264352918 /nfs/dbraw/zinc/35/29/18/264352918.db2.gz FTQNPAONPISYCX-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150715 264352920 /nfs/dbraw/zinc/35/29/20/264352920.db2.gz FTQNPAONPISYCX-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150715 264352923 /nfs/dbraw/zinc/35/29/23/264352923.db2.gz FTQNPAONPISYCX-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150715 264352924 /nfs/dbraw/zinc/35/29/24/264352924.db2.gz FTQNPAONPISYCX-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173372 264357787 /nfs/dbraw/zinc/35/77/87/264357787.db2.gz IZTILXUKLMSUSS-AZUAARDMSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173372 264357788 /nfs/dbraw/zinc/35/77/88/264357788.db2.gz IZTILXUKLMSUSS-AZUAARDMSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000348173372 264357794 /nfs/dbraw/zinc/35/77/94/264357794.db2.gz IZTILXUKLMSUSS-AZUAARDMSA-N 2 2 324.472 3.164 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000348188002 264360825 /nfs/dbraw/zinc/36/08/25/264360825.db2.gz QWXITFXVAABVIQ-OALUTQOASA-N 2 2 313.445 3.225 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000348213313 264366406 /nfs/dbraw/zinc/36/64/06/264366406.db2.gz IOSWQFGYFFRTGV-BPQIPLTHSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000348213313 264366407 /nfs/dbraw/zinc/36/64/07/264366407.db2.gz IOSWQFGYFFRTGV-BPQIPLTHSA-N 2 2 304.503 3.382 20 0 DGADLP COCC[C@H](Cc1ccco1)[NH2+]CCCc1c[nH+]ccc1C ZINC000348259235 264377381 /nfs/dbraw/zinc/37/73/81/264377381.db2.gz DRWVCFCQZCPBPX-QGZVFWFLSA-N 2 2 302.418 3.153 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C(C)C ZINC000348302087 264385322 /nfs/dbraw/zinc/38/53/22/264385322.db2.gz LTJKAAJJYWPEFJ-IAGOWNOFSA-N 2 2 306.498 3.454 20 0 DGADLP C[NH+](C)CC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000348374840 264398676 /nfs/dbraw/zinc/39/86/76/264398676.db2.gz AIZZAOVKFCFZON-HNNXBMFYSA-N 2 2 311.267 3.368 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000352024799 264900572 /nfs/dbraw/zinc/90/05/72/264900572.db2.gz IYTQSKWQEYPGHQ-UHFFFAOYSA-N 2 2 306.356 3.022 20 0 DGADLP Cc1cc(C(C)(C)[NH2+]CCn2cc[nH+]c2)ccc1Br ZINC000352392423 265030029 /nfs/dbraw/zinc/03/00/29/265030029.db2.gz TUANRMBXXCNYCB-UHFFFAOYSA-N 2 2 322.250 3.479 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352488245 265067231 /nfs/dbraw/zinc/06/72/31/265067231.db2.gz NVANRIZYNGFINW-JTQLQIEISA-N 2 2 307.385 3.174 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352488245 265067227 /nfs/dbraw/zinc/06/72/27/265067227.db2.gz NVANRIZYNGFINW-JTQLQIEISA-N 2 2 307.385 3.174 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Br ZINC000352505120 265073315 /nfs/dbraw/zinc/07/33/15/265073315.db2.gz XZHZEIGNIITHNG-NSHDSACASA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Br ZINC000352505120 265073316 /nfs/dbraw/zinc/07/33/16/265073316.db2.gz XZHZEIGNIITHNG-NSHDSACASA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000352518134 265077374 /nfs/dbraw/zinc/07/73/74/265077374.db2.gz HGGHSWVIHDVLSY-HNNXBMFYSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000352518134 265077376 /nfs/dbraw/zinc/07/73/76/265077376.db2.gz HGGHSWVIHDVLSY-HNNXBMFYSA-N 2 2 303.381 3.184 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000352533973 265080576 /nfs/dbraw/zinc/08/05/76/265080576.db2.gz BTTKTVLDOUMIPR-CYBMUJFWSA-N 2 2 304.381 3.342 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000352533973 265080577 /nfs/dbraw/zinc/08/05/77/265080577.db2.gz BTTKTVLDOUMIPR-CYBMUJFWSA-N 2 2 304.381 3.342 20 0 DGADLP Brc1csc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541519 265083339 /nfs/dbraw/zinc/08/33/39/265083339.db2.gz YPWVIBSVMTYFHC-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1csc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541519 265083343 /nfs/dbraw/zinc/08/33/43/265083343.db2.gz YPWVIBSVMTYFHC-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352546595 265084758 /nfs/dbraw/zinc/08/47/58/265084758.db2.gz XQNLATMKTGDUDP-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352546595 265084761 /nfs/dbraw/zinc/08/47/61/265084761.db2.gz XQNLATMKTGDUDP-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cn1 ZINC000352555614 265087247 /nfs/dbraw/zinc/08/72/47/265087247.db2.gz PAPORCLIAXBEBQ-OAHLLOKOSA-N 2 2 302.397 3.037 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(Cl)s2)s1 ZINC000352766694 265157833 /nfs/dbraw/zinc/15/78/33/265157833.db2.gz AEINYLBGUFNOBE-UHFFFAOYSA-N 2 2 301.868 3.209 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352770429 265159541 /nfs/dbraw/zinc/15/95/41/265159541.db2.gz KJLSWYLSRUBBFV-HZPDHXFCSA-N 2 2 320.477 3.161 20 0 DGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352781054 265164095 /nfs/dbraw/zinc/16/40/95/265164095.db2.gz RVXZTXLTHIBUND-INIZCTEOSA-N 2 2 301.459 3.290 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc[nH+]cc1Cl ZINC000352846822 265197337 /nfs/dbraw/zinc/19/73/37/265197337.db2.gz TUTPKSCCRKNMTI-AWEZNQCLSA-N 2 2 301.821 3.446 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc[nH+]cc1Cl ZINC000352846822 265197342 /nfs/dbraw/zinc/19/73/42/265197342.db2.gz TUTPKSCCRKNMTI-AWEZNQCLSA-N 2 2 301.821 3.446 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851548 265198193 /nfs/dbraw/zinc/19/81/93/265198193.db2.gz ZNQWWPXAZQNICP-ZANVPECISA-N 2 2 304.381 3.339 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851548 265198194 /nfs/dbraw/zinc/19/81/94/265198194.db2.gz ZNQWWPXAZQNICP-ZANVPECISA-N 2 2 304.381 3.339 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000352853406 265198406 /nfs/dbraw/zinc/19/84/06/265198406.db2.gz MZXUTJYXFLZYCL-UHFFFAOYSA-N 2 2 311.389 3.081 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931195 265235693 /nfs/dbraw/zinc/23/56/93/265235693.db2.gz NCGIPODRFCYKEA-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931195 265235695 /nfs/dbraw/zinc/23/56/95/265235695.db2.gz NCGIPODRFCYKEA-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931195 265235698 /nfs/dbraw/zinc/23/56/98/265235698.db2.gz NCGIPODRFCYKEA-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931195 265235701 /nfs/dbraw/zinc/23/57/01/265235701.db2.gz NCGIPODRFCYKEA-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C(=C/c1ccccc1)\C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000352966566 265250186 /nfs/dbraw/zinc/25/01/86/265250186.db2.gz JPZGMVGTZVFSES-VMPITWQZSA-N 2 2 307.441 3.349 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3ccc4n[nH]cc4c3)n2c1 ZINC000353094298 265295068 /nfs/dbraw/zinc/29/50/68/265295068.db2.gz VXBLNJRPRSAZKB-ZDUSSCGKSA-N 2 2 305.385 3.370 20 0 DGADLP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000353152272 265320338 /nfs/dbraw/zinc/32/03/38/265320338.db2.gz IGJHVDMIEWATBR-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000353152272 265320342 /nfs/dbraw/zinc/32/03/42/265320342.db2.gz IGJHVDMIEWATBR-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000353152272 265320345 /nfs/dbraw/zinc/32/03/45/265320345.db2.gz IGJHVDMIEWATBR-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000353152272 265320352 /nfs/dbraw/zinc/32/03/52/265320352.db2.gz IGJHVDMIEWATBR-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000353237238 265356827 /nfs/dbraw/zinc/35/68/27/265356827.db2.gz SIDPPPJHWMAJJN-UGSOOPFHSA-N 2 2 300.446 3.244 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000353237238 265356830 /nfs/dbraw/zinc/35/68/30/265356830.db2.gz SIDPPPJHWMAJJN-UGSOOPFHSA-N 2 2 300.446 3.244 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353256633 265364011 /nfs/dbraw/zinc/36/40/11/265364011.db2.gz GZOGPJKNHTXUJF-KRWDZBQOSA-N 2 2 320.477 3.270 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353256633 265364013 /nfs/dbraw/zinc/36/40/13/265364013.db2.gz GZOGPJKNHTXUJF-KRWDZBQOSA-N 2 2 320.477 3.270 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1conc1Cc1ccccc1 ZINC000353312080 265384658 /nfs/dbraw/zinc/38/46/58/265384658.db2.gz VVDMPMHJUHPRFF-UHFFFAOYSA-N 2 2 313.445 3.183 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1conc1Cc1ccccc1 ZINC000353312080 265384661 /nfs/dbraw/zinc/38/46/61/265384661.db2.gz VVDMPMHJUHPRFF-UHFFFAOYSA-N 2 2 313.445 3.183 20 0 DGADLP Cc1ccc(CCC[NH+]2CCN(c3ccccc3F)CC2)c[nH+]1 ZINC000353363000 265401977 /nfs/dbraw/zinc/40/19/77/265401977.db2.gz JQLYUJPAQPOLAY-UHFFFAOYSA-N 2 2 313.420 3.284 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)c[nH+]1 ZINC000354473896 265783984 /nfs/dbraw/zinc/78/39/84/265783984.db2.gz ZALOEUOQTBIIPY-FXAWDEMLSA-N 2 2 312.457 3.467 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000355372930 266054977 /nfs/dbraw/zinc/05/49/77/266054977.db2.gz RBEKSHNWNSIRIX-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000355372930 266054978 /nfs/dbraw/zinc/05/49/78/266054978.db2.gz RBEKSHNWNSIRIX-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP C/C(=C/c1ccccc1)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000355375188 266055419 /nfs/dbraw/zinc/05/54/19/266055419.db2.gz WJKWHRZOJKNACM-PEZBUJJGSA-N 2 2 308.429 3.011 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000355538899 266107129 /nfs/dbraw/zinc/10/71/29/266107129.db2.gz YZCKUWARICOKTG-UHFFFAOYSA-N 2 2 321.428 3.280 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747026 266172102 /nfs/dbraw/zinc/17/21/02/266172102.db2.gz HAOFYEKNUWJGFU-GOEBONIOSA-N 2 2 308.441 3.087 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747026 266172104 /nfs/dbraw/zinc/17/21/04/266172104.db2.gz HAOFYEKNUWJGFU-GOEBONIOSA-N 2 2 308.441 3.087 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000355773516 266178535 /nfs/dbraw/zinc/17/85/35/266178535.db2.gz NFBRKDXPDCRQHM-UKBAYJJMSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000355773516 266178539 /nfs/dbraw/zinc/17/85/39/266178539.db2.gz NFBRKDXPDCRQHM-UKBAYJJMSA-N 2 2 302.462 3.054 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]CC3Cc4ccccc4C3)CC2)nc1 ZINC000356166012 266305650 /nfs/dbraw/zinc/30/56/50/266305650.db2.gz MXQSMBJXUNNEPN-UHFFFAOYSA-N 2 2 321.468 3.051 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000270481410 432249545 /nfs/dbraw/zinc/24/95/45/432249545.db2.gz KQVINVJIYHPFJD-SJORKVTESA-N 2 2 312.457 3.350 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(CO)c1)[N@@H+](C)Cc1ccccc1 ZINC000270481410 432249547 /nfs/dbraw/zinc/24/95/47/432249547.db2.gz KQVINVJIYHPFJD-SJORKVTESA-N 2 2 312.457 3.350 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1CCCCO1 ZINC000359864840 271003486 /nfs/dbraw/zinc/00/34/86/271003486.db2.gz DGKCBRIKRFGXEP-BEFAXECRSA-N 2 2 320.452 3.337 20 0 DGADLP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000359886323 271009821 /nfs/dbraw/zinc/00/98/21/271009821.db2.gz ZPLYGZVYQWCTKT-IBGZPJMESA-N 2 2 323.440 3.108 20 0 DGADLP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000359886323 271009823 /nfs/dbraw/zinc/00/98/23/271009823.db2.gz ZPLYGZVYQWCTKT-IBGZPJMESA-N 2 2 323.440 3.108 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000359908188 271016430 /nfs/dbraw/zinc/01/64/30/271016430.db2.gz XNXLJLFBPSZDNA-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000359908188 271016433 /nfs/dbraw/zinc/01/64/33/271016433.db2.gz XNXLJLFBPSZDNA-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000359908188 271016436 /nfs/dbraw/zinc/01/64/36/271016436.db2.gz XNXLJLFBPSZDNA-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000359908188 271016441 /nfs/dbraw/zinc/01/64/41/271016441.db2.gz XNXLJLFBPSZDNA-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367608099 271051501 /nfs/dbraw/zinc/05/15/01/271051501.db2.gz QDCRRBHWMSWGOM-KRWDZBQOSA-N 2 2 304.482 3.494 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000367697912 271065918 /nfs/dbraw/zinc/06/59/18/271065918.db2.gz DNLGTGWFVCBWDW-INIZCTEOSA-N 2 2 301.459 3.143 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000367697912 271065923 /nfs/dbraw/zinc/06/59/23/271065923.db2.gz DNLGTGWFVCBWDW-INIZCTEOSA-N 2 2 301.459 3.143 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000367846139 271086275 /nfs/dbraw/zinc/08/62/75/271086275.db2.gz CPBVADCDIGGKAR-KRWDZBQOSA-N 2 2 324.509 3.306 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000367846139 271086280 /nfs/dbraw/zinc/08/62/80/271086280.db2.gz CPBVADCDIGGKAR-KRWDZBQOSA-N 2 2 324.509 3.306 20 0 DGADLP Clc1nccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000367972575 271105766 /nfs/dbraw/zinc/10/57/66/271105766.db2.gz LDYKWNKUKMGBRH-NEPJUHHUSA-N 2 2 300.233 3.105 20 0 DGADLP Clc1nccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000367972575 271105768 /nfs/dbraw/zinc/10/57/68/271105768.db2.gz LDYKWNKUKMGBRH-NEPJUHHUSA-N 2 2 300.233 3.105 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000368029501 271118230 /nfs/dbraw/zinc/11/82/30/271118230.db2.gz JMRRYOQEYNQXHB-APWZRJJASA-N 2 2 323.440 3.106 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000369035084 271234099 /nfs/dbraw/zinc/23/40/99/271234099.db2.gz CSWHMAHBWJNCDU-VQIMIIECSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000369383840 271271706 /nfs/dbraw/zinc/27/17/06/271271706.db2.gz OMBOJACYFIRBDW-UHFFFAOYSA-N 2 2 311.429 3.402 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000369383840 271271709 /nfs/dbraw/zinc/27/17/09/271271709.db2.gz OMBOJACYFIRBDW-UHFFFAOYSA-N 2 2 311.429 3.402 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCCCO)CC1 ZINC000369555298 271292557 /nfs/dbraw/zinc/29/25/57/271292557.db2.gz BAEABVARGPGZRO-UHFFFAOYSA-N 2 2 301.434 3.144 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000370598292 271372125 /nfs/dbraw/zinc/37/21/25/271372125.db2.gz RACBOQSUOITLPF-ZDUSSCGKSA-N 2 2 305.809 3.072 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000370598292 271372127 /nfs/dbraw/zinc/37/21/27/271372127.db2.gz RACBOQSUOITLPF-ZDUSSCGKSA-N 2 2 305.809 3.072 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[NH+]2CCC(C)CC2)[nH+]1 ZINC000370741765 271386244 /nfs/dbraw/zinc/38/62/44/271386244.db2.gz NVBJIMSGADLULN-UHFFFAOYSA-N 2 2 312.417 3.056 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000183084433 432255957 /nfs/dbraw/zinc/25/59/57/432255957.db2.gz BSBLFQLSYIOBSF-BQFCYCMXSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nccn1C ZINC000183084433 432255961 /nfs/dbraw/zinc/25/59/61/432255961.db2.gz BSBLFQLSYIOBSF-BQFCYCMXSA-N 2 2 312.461 3.124 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423456819 273750553 /nfs/dbraw/zinc/75/05/53/273750553.db2.gz DUGNZSUOLHUTQD-JQWIXIFHSA-N 2 2 315.280 3.313 20 0 DGADLP C[NH+](C)[C@H]1CCCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000450485599 273816679 /nfs/dbraw/zinc/81/66/79/273816679.db2.gz JNYDOPMGRDHPGG-ZDUSSCGKSA-N 2 2 309.417 3.032 20 0 DGADLP COc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000323427727 274110452 /nfs/dbraw/zinc/11/04/52/274110452.db2.gz PXNDUGHFYZQEPV-GOSISDBHSA-N 2 2 311.429 3.017 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000316686892 274137904 /nfs/dbraw/zinc/13/79/04/274137904.db2.gz NQLJUEHUZURHBA-GUDVDZBRSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000316686892 274137907 /nfs/dbraw/zinc/13/79/07/274137907.db2.gz NQLJUEHUZURHBA-GUDVDZBRSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1c[nH+]ccc1N ZINC000422793546 274252841 /nfs/dbraw/zinc/25/28/41/274252841.db2.gz FRZDXZITPNZXST-SNVBAGLBSA-N 2 2 311.307 3.244 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000305741757 274301952 /nfs/dbraw/zinc/30/19/52/274301952.db2.gz SCUMXDPDPSRAIX-COXVUDFISA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000305741757 274301953 /nfs/dbraw/zinc/30/19/53/274301953.db2.gz SCUMXDPDPSRAIX-COXVUDFISA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Br ZINC000275344185 274334872 /nfs/dbraw/zinc/33/48/72/274334872.db2.gz XUSTXBVXUYVPSV-DOMZBBRYSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Br ZINC000275344185 274334873 /nfs/dbraw/zinc/33/48/73/274334873.db2.gz XUSTXBVXUYVPSV-DOMZBBRYSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1Br ZINC000275344185 274334874 /nfs/dbraw/zinc/33/48/74/274334874.db2.gz XUSTXBVXUYVPSV-DOMZBBRYSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1Br ZINC000275344185 274334875 /nfs/dbraw/zinc/33/48/75/274334875.db2.gz XUSTXBVXUYVPSV-DOMZBBRYSA-N 2 2 311.267 3.221 20 0 DGADLP Cc1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n(C)n1 ZINC000418034196 274695874 /nfs/dbraw/zinc/69/58/74/274695874.db2.gz SIHCNLBBJCJQBB-UHFFFAOYSA-N 2 2 323.444 3.224 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422820648 275570862 /nfs/dbraw/zinc/57/08/62/275570862.db2.gz RPKIEPDRGKGEFD-WOJBJXKFSA-N 3 2 315.505 3.190 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423266043 275585733 /nfs/dbraw/zinc/58/57/33/275585733.db2.gz RQUZEVHLKIZXPG-AAEUAGOBSA-N 2 2 308.857 3.251 20 0 DGADLP Cc1cc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635407 429359181 /nfs/dbraw/zinc/35/91/81/429359181.db2.gz GBSDYRQDQVXXPU-WMZOPIPTSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1cc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635407 429359183 /nfs/dbraw/zinc/35/91/83/429359183.db2.gz GBSDYRQDQVXXPU-WMZOPIPTSA-N 2 2 310.445 3.498 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415049934 275769968 /nfs/dbraw/zinc/76/99/68/275769968.db2.gz YJTBLAFJTULRMD-QGZVFWFLSA-N 2 2 312.461 3.226 20 0 DGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000134126570 275909752 /nfs/dbraw/zinc/90/97/52/275909752.db2.gz QLCZKCCYZQJKTK-XLIONFOSSA-N 3 2 319.537 3.127 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422698275 276110390 /nfs/dbraw/zinc/11/03/90/276110390.db2.gz YLCIWVXHXABJTA-VQIMIIECSA-N 3 2 303.494 3.149 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000156553144 276187434 /nfs/dbraw/zinc/18/74/34/276187434.db2.gz RQOCAEIXXBOLFM-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000156553144 276187435 /nfs/dbraw/zinc/18/74/35/276187435.db2.gz RQOCAEIXXBOLFM-GJZGRUSLSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068949 276187622 /nfs/dbraw/zinc/18/76/22/276187622.db2.gz WBHPGZFONZQBSL-KBXCAEBGSA-N 2 2 302.462 3.492 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068949 276187623 /nfs/dbraw/zinc/18/76/23/276187623.db2.gz WBHPGZFONZQBSL-KBXCAEBGSA-N 2 2 302.462 3.492 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000107350458 276252469 /nfs/dbraw/zinc/25/24/69/276252469.db2.gz GBLYETOMLTUETH-MRXNPFEDSA-N 2 2 320.481 3.366 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000535070879 430162057 /nfs/dbraw/zinc/16/20/57/430162057.db2.gz VNJUQSXSQCYNSL-CQSZACIVSA-N 2 2 314.433 3.089 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000535070879 430162059 /nfs/dbraw/zinc/16/20/59/430162059.db2.gz VNJUQSXSQCYNSL-CQSZACIVSA-N 2 2 314.433 3.089 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2cc(Br)ccc2C1 ZINC000192250635 277079005 /nfs/dbraw/zinc/07/90/05/277079005.db2.gz VNVDCVPAPZQKOI-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2cc(Br)ccc2C1 ZINC000192250635 277079007 /nfs/dbraw/zinc/07/90/07/277079007.db2.gz VNVDCVPAPZQKOI-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000192250635 277079008 /nfs/dbraw/zinc/07/90/08/277079008.db2.gz VNVDCVPAPZQKOI-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000192250635 277079009 /nfs/dbraw/zinc/07/90/09/277079009.db2.gz VNVDCVPAPZQKOI-INIZCTEOSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433494669 277285584 /nfs/dbraw/zinc/28/55/84/277285584.db2.gz WXLOREGWYBBZQE-QGZVFWFLSA-N 2 2 320.440 3.185 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000433494669 277285587 /nfs/dbraw/zinc/28/55/87/277285587.db2.gz WXLOREGWYBBZQE-QGZVFWFLSA-N 2 2 320.440 3.185 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1C ZINC000411939558 277363248 /nfs/dbraw/zinc/36/32/48/277363248.db2.gz KKRROXNZPFHDRK-AEFFLSMTSA-N 2 2 312.413 3.015 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1C ZINC000411939558 277363250 /nfs/dbraw/zinc/36/32/50/277363250.db2.gz KKRROXNZPFHDRK-AEFFLSMTSA-N 2 2 312.413 3.015 20 0 DGADLP CSC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423234155 277514562 /nfs/dbraw/zinc/51/45/62/277514562.db2.gz LDNHLMGHZJFUFD-KGLIPLIRSA-N 2 2 318.408 3.451 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000462801574 277692581 /nfs/dbraw/zinc/69/25/81/277692581.db2.gz CNJDTWJHPHPXFZ-KZNAEPCWSA-N 2 2 304.478 3.471 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@H]1c1ccccc1 ZINC000423167464 278217218 /nfs/dbraw/zinc/21/72/18/278217218.db2.gz WSEISJJSWUJENA-AFYVEPGGSA-N 2 2 316.489 3.317 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246660989 278307729 /nfs/dbraw/zinc/30/77/29/278307729.db2.gz SBHOSHZPCAQFQM-CABCVRRESA-N 2 2 324.415 3.070 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246660989 278307730 /nfs/dbraw/zinc/30/77/30/278307730.db2.gz SBHOSHZPCAQFQM-CABCVRRESA-N 2 2 324.415 3.070 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000423566488 278340683 /nfs/dbraw/zinc/34/06/83/278340683.db2.gz LWTRVAFTEOYSEE-QGZVFWFLSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000305168928 278353434 /nfs/dbraw/zinc/35/34/34/278353434.db2.gz ZEUYUOHPUNHBAA-OLZOCXBDSA-N 2 2 316.898 3.145 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186320724 278370800 /nfs/dbraw/zinc/37/08/00/278370800.db2.gz UCOJQVAXXFJKNY-BJZITVGISA-N 2 2 312.461 3.079 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000118953251 288044394 /nfs/dbraw/zinc/04/43/94/288044394.db2.gz ZQUHRBLWQHOFDP-ROUUACIJSA-N 2 2 300.450 3.072 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)s1 ZINC000422731697 288059704 /nfs/dbraw/zinc/05/97/04/288059704.db2.gz OAUIOFYXSUHBEE-SRVKXCTJSA-N 2 2 302.871 3.209 20 0 DGADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423210463 278769860 /nfs/dbraw/zinc/76/98/60/278769860.db2.gz WRUCSVQETONODV-LSDHHAIUSA-N 2 2 313.470 3.447 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328500 279002564 /nfs/dbraw/zinc/00/25/64/279002564.db2.gz XQAZXBZLLTUABX-PKOBYXMFSA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328500 279002568 /nfs/dbraw/zinc/00/25/68/279002568.db2.gz XQAZXBZLLTUABX-PKOBYXMFSA-N 2 2 319.493 3.115 20 0 DGADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425371855 279084488 /nfs/dbraw/zinc/08/44/88/279084488.db2.gz RHPITBJXIQCBIS-QJPTWQEYSA-N 2 2 318.387 3.037 20 0 DGADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425371855 279084490 /nfs/dbraw/zinc/08/44/90/279084490.db2.gz RHPITBJXIQCBIS-QJPTWQEYSA-N 2 2 318.387 3.037 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000453134396 279120992 /nfs/dbraw/zinc/12/09/92/279120992.db2.gz RVNKYAXBSJQTAD-LUKYLMHMSA-N 2 2 304.482 3.379 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000119867046 279192136 /nfs/dbraw/zinc/19/21/36/279192136.db2.gz ORACYNUGETYXLB-SCTDSRPQSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000119867046 279192137 /nfs/dbraw/zinc/19/21/37/279192137.db2.gz ORACYNUGETYXLB-SCTDSRPQSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@H]([N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691126 279391252 /nfs/dbraw/zinc/39/12/52/279391252.db2.gz VIWVKYUOXZIUOO-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]([N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691126 279391257 /nfs/dbraw/zinc/39/12/57/279391257.db2.gz VIWVKYUOXZIUOO-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]([NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691126 279391259 /nfs/dbraw/zinc/39/12/59/279391259.db2.gz VIWVKYUOXZIUOO-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]([NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691126 279391263 /nfs/dbraw/zinc/39/12/63/279391263.db2.gz VIWVKYUOXZIUOO-PKOBYXMFSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000069710630 431217791 /nfs/dbraw/zinc/21/77/91/431217791.db2.gz ZINKITZVZAKMIW-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314706 431280406 /nfs/dbraw/zinc/28/04/06/431280406.db2.gz KHNUNVZHQCFXNY-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314706 431280412 /nfs/dbraw/zinc/28/04/12/431280412.db2.gz KHNUNVZHQCFXNY-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000113809349 431362626 /nfs/dbraw/zinc/36/26/26/431362626.db2.gz BBUFZSOLHAEQSC-AWEZNQCLSA-N 2 2 317.776 3.218 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000073852665 431386850 /nfs/dbraw/zinc/38/68/50/431386850.db2.gz RLWCHLRMEYGIOG-ZDUSSCGKSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000073852665 431386855 /nfs/dbraw/zinc/38/68/55/431386855.db2.gz RLWCHLRMEYGIOG-ZDUSSCGKSA-N 2 2 309.251 3.084 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000119942371 288164188 /nfs/dbraw/zinc/16/41/88/288164188.db2.gz WUNIJAVZOPNJIP-IJEWVQPXSA-N 2 2 308.491 3.214 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3sccc32)C[C@H](C)O1 ZINC000119942371 288164189 /nfs/dbraw/zinc/16/41/89/288164189.db2.gz WUNIJAVZOPNJIP-IJEWVQPXSA-N 2 2 308.491 3.214 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2nccn21 ZINC000449571128 280008324 /nfs/dbraw/zinc/00/83/24/280008324.db2.gz KQDRUILMOTYICG-YOEHRIQHSA-N 2 2 302.466 3.276 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000453298633 280032483 /nfs/dbraw/zinc/03/24/83/280032483.db2.gz WKAPCBKCMGEXTF-UXPWSPDFSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000453298633 280032486 /nfs/dbraw/zinc/03/24/86/280032486.db2.gz WKAPCBKCMGEXTF-UXPWSPDFSA-N 2 2 316.489 3.307 20 0 DGADLP CC[C@@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481041915 280153310 /nfs/dbraw/zinc/15/33/10/280153310.db2.gz BGFNPXVSKSJNMA-OALUTQOASA-N 2 2 304.478 3.474 20 0 DGADLP Cc1cc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119140681 431653314 /nfs/dbraw/zinc/65/33/14/431653314.db2.gz WIUNCNWXMFRRRO-UHFFFAOYSA-N 2 2 312.417 3.034 20 0 DGADLP Cc1cc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119140681 431653320 /nfs/dbraw/zinc/65/33/20/431653320.db2.gz WIUNCNWXMFRRRO-UHFFFAOYSA-N 2 2 312.417 3.034 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841604 431620717 /nfs/dbraw/zinc/62/07/17/431620717.db2.gz KYVPRTIYBFMQJR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841604 431620722 /nfs/dbraw/zinc/62/07/22/431620722.db2.gz KYVPRTIYBFMQJR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841604 431620728 /nfs/dbraw/zinc/62/07/28/431620728.db2.gz KYVPRTIYBFMQJR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841604 431620733 /nfs/dbraw/zinc/62/07/33/431620733.db2.gz KYVPRTIYBFMQJR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000118972391 431630021 /nfs/dbraw/zinc/63/00/21/431630021.db2.gz IBWYWMCGHSDIEM-QAPCUYQASA-N 2 2 300.450 3.165 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380205 431684639 /nfs/dbraw/zinc/68/46/39/431684639.db2.gz KAZFYMVZODCFSS-IUODEOHRSA-N 2 2 305.397 3.129 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380205 431684642 /nfs/dbraw/zinc/68/46/42/431684642.db2.gz KAZFYMVZODCFSS-IUODEOHRSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380205 431684648 /nfs/dbraw/zinc/68/46/48/431684648.db2.gz KAZFYMVZODCFSS-IUODEOHRSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000119380205 431684651 /nfs/dbraw/zinc/68/46/51/431684651.db2.gz KAZFYMVZODCFSS-IUODEOHRSA-N 2 2 305.397 3.129 20 0 DGADLP CC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCCC1 ZINC000119395900 431686725 /nfs/dbraw/zinc/68/67/25/431686725.db2.gz LVBUPTFLULHJTG-UHFFFAOYSA-N 2 2 308.389 3.203 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119437947 431691002 /nfs/dbraw/zinc/69/10/02/431691002.db2.gz UMLJVEYJELDWMF-CQSZACIVSA-N 2 2 305.397 3.273 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119437947 431691008 /nfs/dbraw/zinc/69/10/08/431691008.db2.gz UMLJVEYJELDWMF-CQSZACIVSA-N 2 2 305.397 3.273 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119437947 431691012 /nfs/dbraw/zinc/69/10/12/431691012.db2.gz UMLJVEYJELDWMF-CQSZACIVSA-N 2 2 305.397 3.273 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1nc2ccc(F)cc2o1 ZINC000119437947 431691016 /nfs/dbraw/zinc/69/10/16/431691016.db2.gz UMLJVEYJELDWMF-CQSZACIVSA-N 2 2 305.397 3.273 20 0 DGADLP COCc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)o1 ZINC000119521051 431700761 /nfs/dbraw/zinc/70/07/61/431700761.db2.gz UGWDFJAWNFTNKI-KRWDZBQOSA-N 2 2 306.450 3.439 20 0 DGADLP COCc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)o1 ZINC000119521051 431700766 /nfs/dbraw/zinc/70/07/66/431700766.db2.gz UGWDFJAWNFTNKI-KRWDZBQOSA-N 2 2 306.450 3.439 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000121495439 431794124 /nfs/dbraw/zinc/79/41/24/431794124.db2.gz NBSVGDRLFDBZBU-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000121495439 431794131 /nfs/dbraw/zinc/79/41/31/431794131.db2.gz NBSVGDRLFDBZBU-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(CO)c2)[NH+](C)C)cc1 ZINC000121513632 431798514 /nfs/dbraw/zinc/79/85/14/431798514.db2.gz ZEMOUJGMHLJKKH-JXFKEZNVSA-N 2 2 312.457 3.441 20 0 DGADLP C[C@H](C[NH2+]Cc1cnc(-c2cccs2)s1)Cn1cc[nH+]c1 ZINC000083453711 431808271 /nfs/dbraw/zinc/80/82/71/431808271.db2.gz KKUKXFZKQAKEOU-GFCCVEGCSA-N 2 2 318.471 3.494 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128630 431814797 /nfs/dbraw/zinc/81/47/97/431814797.db2.gz VYQMPVGQYKPOKW-HNNXBMFYSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128630 431814799 /nfs/dbraw/zinc/81/47/99/431814799.db2.gz VYQMPVGQYKPOKW-HNNXBMFYSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128630 431814803 /nfs/dbraw/zinc/81/48/03/431814803.db2.gz VYQMPVGQYKPOKW-HNNXBMFYSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128630 431814806 /nfs/dbraw/zinc/81/48/06/431814806.db2.gz VYQMPVGQYKPOKW-HNNXBMFYSA-N 2 2 306.425 3.062 20 0 DGADLP CCCCCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OC ZINC000032068453 431771387 /nfs/dbraw/zinc/77/13/87/431771387.db2.gz NJLOEVVKGOQOSX-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(CO)c1 ZINC000121424021 431784562 /nfs/dbraw/zinc/78/45/62/431784562.db2.gz HYJWRKOFSKAQOD-HNNXBMFYSA-N 2 2 307.397 3.215 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cc[nH]c2)CCOCC1)c1ccccc1 ZINC000086254802 431844387 /nfs/dbraw/zinc/84/43/87/431844387.db2.gz JEVJSKRVGFWGAA-INIZCTEOSA-N 2 2 313.445 3.004 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000037157993 431844764 /nfs/dbraw/zinc/84/47/64/431844764.db2.gz BBHKRAPXQLMZBB-VXGBXAGGSA-N 2 2 308.223 3.385 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000037256043 431845167 /nfs/dbraw/zinc/84/51/67/431845167.db2.gz QQKXAECRVXDCTL-UHFFFAOYSA-N 2 2 304.768 3.125 20 0 DGADLP CCC[N@H+](Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000037539256 431847582 /nfs/dbraw/zinc/84/75/82/431847582.db2.gz GREJAZIUFMVWAW-UHFFFAOYSA-N 2 2 311.267 3.413 20 0 DGADLP CCC[N@@H+](Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000037539256 431847585 /nfs/dbraw/zinc/84/75/85/431847585.db2.gz GREJAZIUFMVWAW-UHFFFAOYSA-N 2 2 311.267 3.413 20 0 DGADLP CCC[N@H+](Cc1csc(-c2ccco2)n1)C1CC[NH2+]CC1 ZINC000037539109 431847765 /nfs/dbraw/zinc/84/77/65/431847765.db2.gz FYBMYOYPBHJSRI-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCC[N@@H+](Cc1csc(-c2ccco2)n1)C1CC[NH2+]CC1 ZINC000037539109 431847766 /nfs/dbraw/zinc/84/77/66/431847766.db2.gz FYBMYOYPBHJSRI-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)s1 ZINC000038003263 431853213 /nfs/dbraw/zinc/85/32/13/431853213.db2.gz JPPOIRZJIQMYBC-VHSXEESVSA-N 2 2 314.252 3.446 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428250 431865216 /nfs/dbraw/zinc/86/52/16/431865216.db2.gz ZTXGIJONCCQTTN-JTQLQIEISA-N 2 2 318.305 3.287 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428250 431865219 /nfs/dbraw/zinc/86/52/19/431865219.db2.gz ZTXGIJONCCQTTN-JTQLQIEISA-N 2 2 318.305 3.287 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428250 431865221 /nfs/dbraw/zinc/86/52/21/431865221.db2.gz ZTXGIJONCCQTTN-JTQLQIEISA-N 2 2 318.305 3.287 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428250 431865223 /nfs/dbraw/zinc/86/52/23/431865223.db2.gz ZTXGIJONCCQTTN-JTQLQIEISA-N 2 2 318.305 3.287 20 0 DGADLP Cc1cccc(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123598087 431868993 /nfs/dbraw/zinc/86/89/93/431868993.db2.gz ZVNUJEGRNMVQBP-QGZVFWFLSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1cccc(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123598087 431868995 /nfs/dbraw/zinc/86/89/95/431868995.db2.gz ZVNUJEGRNMVQBP-QGZVFWFLSA-N 2 2 313.445 3.062 20 0 DGADLP COC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000122248926 431821943 /nfs/dbraw/zinc/82/19/43/431821943.db2.gz VGIGXCPSPCMBAN-UHFFFAOYSA-N 2 2 310.869 3.319 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122325532 431827824 /nfs/dbraw/zinc/82/78/24/431827824.db2.gz LGMZBWRFINIRCU-PKOBYXMFSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000122325532 431827825 /nfs/dbraw/zinc/82/78/25/431827825.db2.gz LGMZBWRFINIRCU-PKOBYXMFSA-N 2 2 324.472 3.052 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000035251416 431828274 /nfs/dbraw/zinc/82/82/74/431828274.db2.gz BEEHYUQVNMOZBA-UHFFFAOYSA-N 2 2 317.296 3.475 20 0 DGADLP C[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)C1CC[NH2+]CC1 ZINC000036301234 431837523 /nfs/dbraw/zinc/83/75/23/431837523.db2.gz SGUGNJUYTOROLA-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)C1CC[NH2+]CC1 ZINC000036301234 431837526 /nfs/dbraw/zinc/83/75/26/431837526.db2.gz SGUGNJUYTOROLA-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000044530887 431875534 /nfs/dbraw/zinc/87/55/34/431875534.db2.gz WNFPRFYASPTRAX-AWEZNQCLSA-N 2 2 301.459 3.289 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000044530887 431875535 /nfs/dbraw/zinc/87/55/35/431875535.db2.gz WNFPRFYASPTRAX-AWEZNQCLSA-N 2 2 301.459 3.289 20 0 DGADLP COCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000124110606 431883602 /nfs/dbraw/zinc/88/36/02/431883602.db2.gz KPQZQKIDIMDTLE-CQSZACIVSA-N 2 2 310.869 3.319 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090117703 431889757 /nfs/dbraw/zinc/88/97/57/431889757.db2.gz GKWDSEDGGUHDEY-ARFHVFGLSA-N 2 2 312.461 3.334 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090117703 431889759 /nfs/dbraw/zinc/88/97/59/431889759.db2.gz GKWDSEDGGUHDEY-ARFHVFGLSA-N 2 2 312.461 3.334 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000090403708 431891245 /nfs/dbraw/zinc/89/12/45/431891245.db2.gz SEEZEVLNFRAULA-LLVKDONJSA-N 2 2 313.430 3.191 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000090721801 431895128 /nfs/dbraw/zinc/89/51/28/431895128.db2.gz PVXUZGSLJQRWQE-YPMHNXCESA-N 2 2 302.340 3.158 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000090721801 431895131 /nfs/dbraw/zinc/89/51/31/431895131.db2.gz PVXUZGSLJQRWQE-YPMHNXCESA-N 2 2 302.340 3.158 20 0 DGADLP c1c[nH+]c([C@@H](NC2CC[NH+](C3CCCC3)CC2)c2ccccc2)[nH]1 ZINC000127519444 431974076 /nfs/dbraw/zinc/97/40/76/431974076.db2.gz JALDALSXQITBKZ-IBGZPJMESA-N 2 2 324.472 3.496 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000098143748 431979309 /nfs/dbraw/zinc/97/93/09/431979309.db2.gz RZOCGUFQOPIQSI-RHSMWYFYSA-N 2 2 310.869 3.083 20 0 DGADLP CCCc1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000048563621 431927831 /nfs/dbraw/zinc/92/78/31/431927831.db2.gz MEFRSKXIIXPGAO-UHFFFAOYSA-N 2 2 320.481 3.110 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)ccc1F ZINC000049551656 431941868 /nfs/dbraw/zinc/94/18/68/431941868.db2.gz MYRNYAOFKOZOCZ-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]CC2=CCCOC2)[NH+]2CCCC2)cc1 ZINC000126883851 431959316 /nfs/dbraw/zinc/95/93/16/431959316.db2.gz CIJWWSNSTBPIBW-LJQANCHMSA-N 2 2 300.446 3.068 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1)[NH+](C)C ZINC000475090166 281389896 /nfs/dbraw/zinc/38/98/96/281389896.db2.gz FYKYEWYHVLSTEB-BMFAXAFESA-N 2 2 304.478 3.391 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000191521695 432272968 /nfs/dbraw/zinc/27/29/68/432272968.db2.gz LSCRQMCLCLWYPE-CYBMUJFWSA-N 2 2 317.437 3.179 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000191521695 432272974 /nfs/dbraw/zinc/27/29/74/432272974.db2.gz LSCRQMCLCLWYPE-CYBMUJFWSA-N 2 2 317.437 3.179 20 0 DGADLP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000183365402 432286273 /nfs/dbraw/zinc/28/62/73/432286273.db2.gz OSSBWVNNPDYDGU-GOSISDBHSA-N 2 2 316.493 3.115 20 0 DGADLP Clc1sc(C[NH2+]CCn2cc[nH+]c2)cc1Br ZINC000191694195 432292483 /nfs/dbraw/zinc/29/24/83/432292483.db2.gz FQAQJNCDWPZQJX-UHFFFAOYSA-N 2 2 320.643 3.150 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000128475234 431994374 /nfs/dbraw/zinc/99/43/74/431994374.db2.gz YPHWRPGFFKTUJB-CQSZACIVSA-N 2 2 304.463 3.010 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000128475234 431994375 /nfs/dbraw/zinc/99/43/75/431994375.db2.gz YPHWRPGFFKTUJB-CQSZACIVSA-N 2 2 304.463 3.010 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248058740 432266399 /nfs/dbraw/zinc/26/63/99/432266399.db2.gz XUFJZKYMKLMMRN-IIDMSEBBSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248058740 432266401 /nfs/dbraw/zinc/26/64/01/432266401.db2.gz XUFJZKYMKLMMRN-IIDMSEBBSA-N 3 2 314.477 3.053 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000248055983 432267524 /nfs/dbraw/zinc/26/75/24/432267524.db2.gz XJYKNQWBRMQXRO-ULQDDVLXSA-N 2 2 320.477 3.235 20 0 DGADLP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183180510 432267656 /nfs/dbraw/zinc/26/76/56/432267656.db2.gz NLXASXZCWPYDIR-INIZCTEOSA-N 2 2 315.392 3.007 20 0 DGADLP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183180510 432267659 /nfs/dbraw/zinc/26/76/59/432267659.db2.gz NLXASXZCWPYDIR-INIZCTEOSA-N 2 2 315.392 3.007 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000191481049 432268439 /nfs/dbraw/zinc/26/84/39/432268439.db2.gz XEDCCQVBYMNQNS-UHFFFAOYSA-N 3 2 306.498 3.034 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248823246 432321063 /nfs/dbraw/zinc/32/10/63/432321063.db2.gz GEKZHWBJYZOTOF-ICSRJNTNSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248823246 432321067 /nfs/dbraw/zinc/32/10/67/432321067.db2.gz GEKZHWBJYZOTOF-ICSRJNTNSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823246 432321069 /nfs/dbraw/zinc/32/10/69/432321069.db2.gz GEKZHWBJYZOTOF-ICSRJNTNSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248823246 432321073 /nfs/dbraw/zinc/32/10/73/432321073.db2.gz GEKZHWBJYZOTOF-ICSRJNTNSA-N 3 2 324.472 3.097 20 0 DGADLP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248827302 432322479 /nfs/dbraw/zinc/32/24/79/432322479.db2.gz GPDGILANYMNBSI-OOKSDGMUSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248827302 432322483 /nfs/dbraw/zinc/32/24/83/432322483.db2.gz GPDGILANYMNBSI-OOKSDGMUSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@H]1CCC[NH+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248827302 432322485 /nfs/dbraw/zinc/32/24/85/432322485.db2.gz GPDGILANYMNBSI-OOKSDGMUSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@H]1CCC[NH+](C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248827302 432322490 /nfs/dbraw/zinc/32/24/90/432322490.db2.gz GPDGILANYMNBSI-OOKSDGMUSA-N 3 2 307.526 3.102 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183770816 432323216 /nfs/dbraw/zinc/32/32/16/432323216.db2.gz VEZMJHUVEQYJRU-KRWDZBQOSA-N 2 2 314.408 3.197 20 0 DGADLP CCOC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192026158 432325017 /nfs/dbraw/zinc/32/50/17/432325017.db2.gz DMCJAZSJDZHBPR-QGZVFWFLSA-N 2 2 313.445 3.429 20 0 DGADLP CCOC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192026158 432325022 /nfs/dbraw/zinc/32/50/22/432325022.db2.gz DMCJAZSJDZHBPR-QGZVFWFLSA-N 2 2 313.445 3.429 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cn1 ZINC000248877637 432325329 /nfs/dbraw/zinc/32/53/29/432325329.db2.gz OKDHYMLKUYZRTK-GOSISDBHSA-N 2 2 318.509 3.232 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cn1 ZINC000248877637 432325334 /nfs/dbraw/zinc/32/53/34/432325334.db2.gz OKDHYMLKUYZRTK-GOSISDBHSA-N 2 2 318.509 3.232 20 0 DGADLP CC(C)N(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000248877637 432325339 /nfs/dbraw/zinc/32/53/39/432325339.db2.gz OKDHYMLKUYZRTK-GOSISDBHSA-N 2 2 318.509 3.232 20 0 DGADLP CC(C)N(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000248877637 432325343 /nfs/dbraw/zinc/32/53/43/432325343.db2.gz OKDHYMLKUYZRTK-GOSISDBHSA-N 2 2 318.509 3.232 20 0 DGADLP Clc1ccc([C@H]2OCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000192055537 432328677 /nfs/dbraw/zinc/32/86/77/432328677.db2.gz HWBPRYLZYGTWAT-HZPDHXFCSA-N 2 2 305.809 3.046 20 0 DGADLP Cc1cc(N2CC[NH+](C3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000152436466 432333136 /nfs/dbraw/zinc/33/31/36/432333136.db2.gz WWXXZGKYFIASRH-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1nc2ccccc2n1C ZINC000183948926 432338314 /nfs/dbraw/zinc/33/83/14/432338314.db2.gz ONBFRFISBWBGHJ-OAHLLOKOSA-N 2 2 314.477 3.346 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccn1C ZINC000271181968 432345092 /nfs/dbraw/zinc/34/50/92/432345092.db2.gz JZACLOUKKSTRMS-QGZVFWFLSA-N 2 2 308.429 3.348 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccn1C ZINC000271181968 432345094 /nfs/dbraw/zinc/34/50/94/432345094.db2.gz JZACLOUKKSTRMS-QGZVFWFLSA-N 2 2 308.429 3.348 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000271184623 432345254 /nfs/dbraw/zinc/34/52/54/432345254.db2.gz LVHOMGZLXUEFHY-AWEZNQCLSA-N 2 2 320.868 3.151 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1nc(C)[nH+]c(C)c1C ZINC000192236379 432348424 /nfs/dbraw/zinc/34/84/24/432348424.db2.gz CBCKNMRVTHBIRT-UHFFFAOYSA-N 2 2 301.438 3.077 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000174514428 432353030 /nfs/dbraw/zinc/35/30/30/432353030.db2.gz OAHYERJVPHYDEK-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000174514428 432353036 /nfs/dbraw/zinc/35/30/36/432353036.db2.gz OAHYERJVPHYDEK-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832708 432306788 /nfs/dbraw/zinc/30/67/88/432306788.db2.gz VIUGWOGMBFJGIX-VQIMIIECSA-N 2 2 314.429 3.221 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000248720272 432314831 /nfs/dbraw/zinc/31/48/31/432314831.db2.gz SKKYSWYNDAQGNU-GXTWGEPZSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1Br ZINC000248720272 432314835 /nfs/dbraw/zinc/31/48/35/432314835.db2.gz SKKYSWYNDAQGNU-GXTWGEPZSA-N 2 2 311.267 3.330 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000253196408 432389598 /nfs/dbraw/zinc/38/95/98/432389598.db2.gz STONVSTYFGAUMI-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000253196408 432389600 /nfs/dbraw/zinc/38/96/00/432389600.db2.gz STONVSTYFGAUMI-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153193401 432391109 /nfs/dbraw/zinc/39/11/09/432391109.db2.gz UPOLFULUKVNALL-HOTGVXAUSA-N 2 2 322.518 3.418 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000153337795 432400536 /nfs/dbraw/zinc/40/05/36/432400536.db2.gz AMTPLIVJBZBXNM-HUUCEWRRSA-N 2 2 302.418 3.052 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1=CCCOC1 ZINC000184536352 432403033 /nfs/dbraw/zinc/40/30/33/432403033.db2.gz PWQQJEQSRJRZBG-LJQANCHMSA-N 2 2 302.462 3.079 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1=CCCOC1 ZINC000184536352 432403036 /nfs/dbraw/zinc/40/30/36/432403036.db2.gz PWQQJEQSRJRZBG-LJQANCHMSA-N 2 2 302.462 3.079 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559245 432429875 /nfs/dbraw/zinc/42/98/75/432429875.db2.gz SYPXBYLQGSABII-DUXKGJEZSA-N 3 2 321.468 3.243 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559245 432429878 /nfs/dbraw/zinc/42/98/78/432429878.db2.gz SYPXBYLQGSABII-DUXKGJEZSA-N 3 2 321.468 3.243 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261590729 432433771 /nfs/dbraw/zinc/43/37/71/432433771.db2.gz XEUHGZMDHVEFFZ-LALPHHSUSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261590729 432433776 /nfs/dbraw/zinc/43/37/76/432433776.db2.gz XEUHGZMDHVEFFZ-LALPHHSUSA-N 2 2 309.251 3.194 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000192984335 432437126 /nfs/dbraw/zinc/43/71/26/432437126.db2.gz VXVTVEGHTDQFRI-UHFFFAOYSA-N 2 2 305.447 3.366 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261630837 432437690 /nfs/dbraw/zinc/43/76/90/432437690.db2.gz FKEGCBMIGDPQJU-DNVCBOLYSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261630837 432437695 /nfs/dbraw/zinc/43/76/95/432437695.db2.gz FKEGCBMIGDPQJU-DNVCBOLYSA-N 2 2 317.477 3.116 20 0 DGADLP c1c(C[NH+]2CCC([NH2+]CC3CC3)CC2)onc1-c1ccccc1 ZINC000261674147 432440171 /nfs/dbraw/zinc/44/01/71/432440171.db2.gz HKXZCMVCNRYDFC-UHFFFAOYSA-N 2 2 311.429 3.306 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@H]12 ZINC000261760362 432447931 /nfs/dbraw/zinc/44/79/31/432447931.db2.gz UWFFIRILDSKXTO-JIMOISOXSA-N 2 2 316.779 3.111 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@H]12 ZINC000261760362 432447933 /nfs/dbraw/zinc/44/79/33/432447933.db2.gz UWFFIRILDSKXTO-JIMOISOXSA-N 2 2 316.779 3.111 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261796801 432450537 /nfs/dbraw/zinc/45/05/37/432450537.db2.gz NXLLZJJGUALRLA-MEDUHNTESA-N 2 2 320.824 3.122 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261796801 432450541 /nfs/dbraw/zinc/45/05/41/432450541.db2.gz NXLLZJJGUALRLA-MEDUHNTESA-N 2 2 320.824 3.122 20 0 DGADLP COc1ccc2oc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc2c1 ZINC000261813015 432453493 /nfs/dbraw/zinc/45/34/93/432453493.db2.gz WZHAMUQWGRZHIP-RBUKOAKNSA-N 2 2 322.408 3.368 20 0 DGADLP COc1ccc2oc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc2c1 ZINC000261813015 432453496 /nfs/dbraw/zinc/45/34/96/432453496.db2.gz WZHAMUQWGRZHIP-RBUKOAKNSA-N 2 2 322.408 3.368 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261835528 432454702 /nfs/dbraw/zinc/45/47/02/432454702.db2.gz YATLTGCFYQDMMD-RCCFBDPRSA-N 2 2 314.477 3.405 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271521777 432412982 /nfs/dbraw/zinc/41/29/82/432412982.db2.gz OMQJEBLHYYYOOF-DLBZAZTESA-N 2 2 317.477 3.234 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000153488125 432413164 /nfs/dbraw/zinc/41/31/64/432413164.db2.gz WMOAAYAPROPMFZ-HOTGVXAUSA-N 2 2 314.429 3.351 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000153488125 432413167 /nfs/dbraw/zinc/41/31/67/432413167.db2.gz WMOAAYAPROPMFZ-HOTGVXAUSA-N 2 2 314.429 3.351 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184734147 432427873 /nfs/dbraw/zinc/42/78/73/432427873.db2.gz OQOOVBFSVRMQPS-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184734147 432427876 /nfs/dbraw/zinc/42/78/76/432427876.db2.gz OQOOVBFSVRMQPS-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000262382424 432484001 /nfs/dbraw/zinc/48/40/01/432484001.db2.gz YXDSHLNTFZHQOE-HZPDHXFCSA-N 2 2 302.466 3.405 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000262522405 432489296 /nfs/dbraw/zinc/48/92/96/432489296.db2.gz OHZLHRLYKLRYAQ-UONOGXRCSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000262522405 432489301 /nfs/dbraw/zinc/48/93/01/432489301.db2.gz OHZLHRLYKLRYAQ-UONOGXRCSA-N 2 2 315.848 3.238 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc2[nH+]1 ZINC000262670098 432498288 /nfs/dbraw/zinc/49/82/88/432498288.db2.gz RELWIUMZCDHZKL-OAHLLOKOSA-N 2 2 302.422 3.217 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000176226837 432502567 /nfs/dbraw/zinc/50/25/67/432502567.db2.gz PFSBIKJRHSUONF-CYBMUJFWSA-N 2 2 309.360 3.219 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000154623323 432511268 /nfs/dbraw/zinc/51/12/68/432511268.db2.gz NIVXKICPAQTGPN-VXGBXAGGSA-N 2 2 312.841 3.102 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000272200365 432460143 /nfs/dbraw/zinc/46/01/43/432460143.db2.gz IXBDGECLKOKNLX-MJGOQNOKSA-N 2 2 322.456 3.321 20 0 DGADLP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000154009873 432462562 /nfs/dbraw/zinc/46/25/62/432462562.db2.gz YYQOJHXCLNUBOT-SQNIBIBYSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000154009873 432462567 /nfs/dbraw/zinc/46/25/67/432462567.db2.gz YYQOJHXCLNUBOT-SQNIBIBYSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000154009873 432462569 /nfs/dbraw/zinc/46/25/69/432462569.db2.gz YYQOJHXCLNUBOT-SQNIBIBYSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000154009873 432462574 /nfs/dbraw/zinc/46/25/74/432462574.db2.gz YYQOJHXCLNUBOT-SQNIBIBYSA-N 2 2 319.493 3.127 20 0 DGADLP CCn1ccnc1C[N@H+](Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262012322 432468043 /nfs/dbraw/zinc/46/80/43/432468043.db2.gz MJAQWZXQKBTARV-GOSISDBHSA-N 2 2 324.472 3.047 20 0 DGADLP CCn1ccnc1C[N@@H+](Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262012322 432468045 /nfs/dbraw/zinc/46/80/45/432468045.db2.gz MJAQWZXQKBTARV-GOSISDBHSA-N 2 2 324.472 3.047 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000262018881 432470575 /nfs/dbraw/zinc/47/05/75/432470575.db2.gz VYAPYBVACIPWFE-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000262018881 432470580 /nfs/dbraw/zinc/47/05/80/432470580.db2.gz VYAPYBVACIPWFE-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000185953239 432548930 /nfs/dbraw/zinc/54/89/30/432548930.db2.gz XKRCCOULGDIGEB-JTQLQIEISA-N 2 2 318.368 3.489 20 0 DGADLP CCCC[NH+]1CCC(NC(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000176749829 432549909 /nfs/dbraw/zinc/54/99/09/432549909.db2.gz LMHRBSTYGJPBLZ-UHFFFAOYSA-N 2 2 304.438 3.084 20 0 DGADLP COCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000272509725 432516370 /nfs/dbraw/zinc/51/63/70/432516370.db2.gz GAWGNLBHJVNLMB-MRXNPFEDSA-N 2 2 315.417 3.011 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000185629231 432518018 /nfs/dbraw/zinc/51/80/18/432518018.db2.gz BDMMUZPFAYBARZ-KUHUBIRLSA-N 2 2 314.404 3.141 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000185629231 432518020 /nfs/dbraw/zinc/51/80/20/432518020.db2.gz BDMMUZPFAYBARZ-KUHUBIRLSA-N 2 2 314.404 3.141 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000415078693 281837594 /nfs/dbraw/zinc/83/75/94/281837594.db2.gz GTLXLBVIRSHSEA-QGZVFWFLSA-N 3 2 321.534 3.110 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000273218400 432567643 /nfs/dbraw/zinc/56/76/43/432567643.db2.gz MMAQVBAYAMSIQM-CYBMUJFWSA-N 2 2 314.433 3.192 20 0 DGADLP CC(=O)c1ccccc1OCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263759621 432574461 /nfs/dbraw/zinc/57/44/61/432574461.db2.gz UMXRLZQWHJKNMN-UHFFFAOYSA-N 2 2 318.461 3.073 20 0 DGADLP CC(=O)c1ccccc1OCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263759621 432574465 /nfs/dbraw/zinc/57/44/65/432574465.db2.gz UMXRLZQWHJKNMN-UHFFFAOYSA-N 2 2 318.461 3.073 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000194896772 432585488 /nfs/dbraw/zinc/58/54/88/432585488.db2.gz QJKWXGAFSSQHOE-CABCVRRESA-N 2 2 308.491 3.027 20 0 DGADLP c1c(CC[NH2+][C@H]2CCCNc3ccccc32)[nH+]c2ccccn12 ZINC000186405211 432593158 /nfs/dbraw/zinc/59/31/58/432593158.db2.gz VNUXAEQFFOGEMG-SFHVURJKSA-N 2 2 306.413 3.413 20 0 DGADLP CC[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273428913 432597635 /nfs/dbraw/zinc/59/76/35/432597635.db2.gz KSSLVTQVSBUHFD-LLVKDONJSA-N 2 2 310.239 3.336 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158182219 432640621 /nfs/dbraw/zinc/64/06/21/432640621.db2.gz VNHSXQSFBORTDQ-WBVHZDCISA-N 3 2 312.461 3.173 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182219 432640624 /nfs/dbraw/zinc/64/06/24/432640624.db2.gz VNHSXQSFBORTDQ-WBVHZDCISA-N 3 2 312.461 3.173 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691464 432656170 /nfs/dbraw/zinc/65/61/70/432656170.db2.gz BFGZBMHTBAJWHO-KGLIPLIRSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691464 432656174 /nfs/dbraw/zinc/65/61/74/432656174.db2.gz BFGZBMHTBAJWHO-KGLIPLIRSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691464 432656179 /nfs/dbraw/zinc/65/61/79/432656179.db2.gz BFGZBMHTBAJWHO-KGLIPLIRSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691464 432656183 /nfs/dbraw/zinc/65/61/83/432656183.db2.gz BFGZBMHTBAJWHO-KGLIPLIRSA-N 2 2 317.458 3.319 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)c2nc(C)[nH+]c(C)c2C)c1C ZINC000177821968 432664492 /nfs/dbraw/zinc/66/44/92/432664492.db2.gz XYSQOXUBUWALKW-UHFFFAOYSA-N 2 2 300.406 3.059 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577624 432664819 /nfs/dbraw/zinc/66/48/19/432664819.db2.gz WUDHVXHFEGYXDD-SMDDNHRTSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577624 432664822 /nfs/dbraw/zinc/66/48/22/432664822.db2.gz WUDHVXHFEGYXDD-SMDDNHRTSA-N 2 2 302.340 3.287 20 0 DGADLP Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)nc(C2CC2)[nH+]1 ZINC000265373597 432695509 /nfs/dbraw/zinc/69/55/09/432695509.db2.gz PFNKLUQERKFODE-UHFFFAOYSA-N 2 2 309.417 3.270 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)C[N@@H+]1C1CC1 ZINC000188125681 432706349 /nfs/dbraw/zinc/70/63/49/432706349.db2.gz GSFAEDRCAJMAJF-IRXDYDNUSA-N 2 2 302.462 3.451 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)C[N@H+]1C1CC1 ZINC000188125681 432706353 /nfs/dbraw/zinc/70/63/53/432706353.db2.gz GSFAEDRCAJMAJF-IRXDYDNUSA-N 2 2 302.462 3.451 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccsc1 ZINC000178207116 432706868 /nfs/dbraw/zinc/70/68/68/432706868.db2.gz PZHBKNUVHDRMCN-HNNXBMFYSA-N 2 2 316.470 3.431 20 0 DGADLP CC(C)(O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000274776893 432707359 /nfs/dbraw/zinc/70/73/59/432707359.db2.gz JIAFLQIOISMIIZ-UHFFFAOYSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789629 432708588 /nfs/dbraw/zinc/70/85/88/432708588.db2.gz RBTLFQVRSDNASO-XUJVJEKNSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789629 432708591 /nfs/dbraw/zinc/70/85/91/432708591.db2.gz RBTLFQVRSDNASO-XUJVJEKNSA-N 2 2 320.868 3.045 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178263700 432712986 /nfs/dbraw/zinc/71/29/86/432712986.db2.gz XSSYQWDEBAKERO-CRAIPNDOSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178263700 432712990 /nfs/dbraw/zinc/71/29/90/432712990.db2.gz XSSYQWDEBAKERO-CRAIPNDOSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000178310137 432718738 /nfs/dbraw/zinc/71/87/38/432718738.db2.gz KPDSKTGYBXKQDB-CYBMUJFWSA-N 2 2 316.474 3.260 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000187672790 432676864 /nfs/dbraw/zinc/67/68/64/432676864.db2.gz JMMJSDZAHJLEFT-BTYIYWSLSA-N 2 2 310.507 3.149 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000187672790 432676865 /nfs/dbraw/zinc/67/68/65/432676865.db2.gz JMMJSDZAHJLEFT-BTYIYWSLSA-N 2 2 310.507 3.149 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2nn(CC)c3ccccc23)CC1 ZINC000274558529 432682737 /nfs/dbraw/zinc/68/27/37/432682737.db2.gz JRBSAIIHUMRZHV-UHFFFAOYSA-N 2 2 314.477 3.362 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2nn(CC)c3ccccc23)CC1 ZINC000274558529 432682741 /nfs/dbraw/zinc/68/27/41/432682741.db2.gz JRBSAIIHUMRZHV-UHFFFAOYSA-N 2 2 314.477 3.362 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1c(F)cccc1Br ZINC000160881788 432747854 /nfs/dbraw/zinc/74/78/54/432747854.db2.gz REMNQLBGDZLEQR-UHFFFAOYSA-N 2 2 317.246 3.410 20 0 DGADLP c1sc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000236727234 432760876 /nfs/dbraw/zinc/76/08/76/432760876.db2.gz LYBFMYKNBNCPHR-AWEZNQCLSA-N 2 2 313.470 3.384 20 0 DGADLP c1sc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000236727234 432760881 /nfs/dbraw/zinc/76/08/81/432760881.db2.gz LYBFMYKNBNCPHR-AWEZNQCLSA-N 2 2 313.470 3.384 20 0 DGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178703161 432767950 /nfs/dbraw/zinc/76/79/50/432767950.db2.gz VSBHBHSGPDKPOS-CVEARBPZSA-N 3 2 323.444 3.364 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741582 432772568 /nfs/dbraw/zinc/77/25/68/432772568.db2.gz RSPWDGXFZIDNTH-WCQYABFASA-N 2 2 314.351 3.473 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741582 432772573 /nfs/dbraw/zinc/77/25/73/432772573.db2.gz RSPWDGXFZIDNTH-WCQYABFASA-N 2 2 314.351 3.473 20 0 DGADLP CCc1ccc([C@H](COC)[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000178801273 432777656 /nfs/dbraw/zinc/77/76/56/432777656.db2.gz OEKWFXNWCOZBFX-INIZCTEOSA-N 2 2 308.466 3.382 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(OCC)cc32)CC1 ZINC000178393540 432729882 /nfs/dbraw/zinc/72/98/82/432729882.db2.gz RINHYMKCUYSACN-GOSISDBHSA-N 2 2 318.461 3.373 20 0 DGADLP C[NH+](C)CCc1ccccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000275577741 432732448 /nfs/dbraw/zinc/73/24/48/432732448.db2.gz HKVIGBSXVPEEGR-UHFFFAOYSA-N 2 2 324.472 3.398 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231457201 432733423 /nfs/dbraw/zinc/73/34/23/432733423.db2.gz AHWGJAWEFLOKQO-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231457201 432733424 /nfs/dbraw/zinc/73/34/24/432733424.db2.gz AHWGJAWEFLOKQO-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP Cc1cc[nH+]c(NCC(C)(C)C[NH+](C)C)c1Br ZINC000234260558 432738971 /nfs/dbraw/zinc/73/89/71/432738971.db2.gz MLLJGBJJPPYORU-UHFFFAOYSA-N 2 2 300.244 3.152 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235278711 432741897 /nfs/dbraw/zinc/74/18/97/432741897.db2.gz QJYZPLGGWMNSCT-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235278711 432741902 /nfs/dbraw/zinc/74/19/02/432741902.db2.gz QJYZPLGGWMNSCT-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP COC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCCC1 ZINC000275699077 432743261 /nfs/dbraw/zinc/74/32/61/432743261.db2.gz LFVBJFOUCNZYDB-IBGZPJMESA-N 2 2 313.445 3.226 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000235504816 432744936 /nfs/dbraw/zinc/74/49/36/432744936.db2.gz QVCVIQXYOFFYER-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000235504816 432744941 /nfs/dbraw/zinc/74/49/41/432744941.db2.gz QVCVIQXYOFFYER-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP Clc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(Br)c1 ZINC000236062031 432746714 /nfs/dbraw/zinc/74/67/14/432746714.db2.gz VCXWMHFYZJPPPV-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP C[C@@H](SCc1c[nH+]cn1C)[C@@H](C)SCc1c[nH+]cn1C ZINC000276604220 432822303 /nfs/dbraw/zinc/82/23/03/432822303.db2.gz QIUQXRARCVDAMZ-VXGBXAGGSA-N 2 2 310.492 3.097 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000162744550 432833591 /nfs/dbraw/zinc/83/35/91/432833591.db2.gz QZOGZTNIWJUTMM-HNNXBMFYSA-N 2 2 312.461 3.266 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000162744550 432833593 /nfs/dbraw/zinc/83/35/93/432833593.db2.gz QZOGZTNIWJUTMM-HNNXBMFYSA-N 2 2 312.461 3.266 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)CS1 ZINC000277283684 432834155 /nfs/dbraw/zinc/83/41/55/432834155.db2.gz QTJAPYGQSZGWGI-CABCVRRESA-N 2 2 303.475 3.387 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2Br)CC1 ZINC000277293726 432835477 /nfs/dbraw/zinc/83/54/77/432835477.db2.gz TUQQSRBVJRUSDT-AWEZNQCLSA-N 2 2 311.267 3.365 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC000277293726 432835479 /nfs/dbraw/zinc/83/54/79/432835479.db2.gz TUQQSRBVJRUSDT-AWEZNQCLSA-N 2 2 311.267 3.365 20 0 DGADLP FC(F)Oc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266760524 432785499 /nfs/dbraw/zinc/78/54/99/432785499.db2.gz PZGGMLXLOXOQKW-UHFFFAOYSA-N 2 2 307.344 3.391 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000237427112 432787255 /nfs/dbraw/zinc/78/72/55/432787255.db2.gz VKMXVIUVXJNIQI-OAHLLOKOSA-N 2 2 321.896 3.240 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000237511775 432790755 /nfs/dbraw/zinc/79/07/55/432790755.db2.gz NMQGFWPMICWESC-PKOBYXMFSA-N 2 2 316.489 3.497 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000237511775 432790759 /nfs/dbraw/zinc/79/07/59/432790759.db2.gz NMQGFWPMICWESC-PKOBYXMFSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000161813608 432798632 /nfs/dbraw/zinc/79/86/32/432798632.db2.gz NZGOPFZDBKAEKC-RHSMWYFYSA-N 2 2 311.473 3.488 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000161813608 432798634 /nfs/dbraw/zinc/79/86/34/432798634.db2.gz NZGOPFZDBKAEKC-RHSMWYFYSA-N 2 2 311.473 3.488 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000276474781 432812386 /nfs/dbraw/zinc/81/23/86/432812386.db2.gz QXMIDAJBIOBONL-IBGZPJMESA-N 2 2 314.477 3.019 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000276474781 432812389 /nfs/dbraw/zinc/81/23/89/432812389.db2.gz QXMIDAJBIOBONL-IBGZPJMESA-N 3 2 314.477 3.019 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000276474781 432812391 /nfs/dbraw/zinc/81/23/91/432812391.db2.gz QXMIDAJBIOBONL-IBGZPJMESA-N 3 2 314.477 3.019 20 0 DGADLP C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1n1cc[nH+]c1 ZINC000268264903 432860373 /nfs/dbraw/zinc/86/03/73/432860373.db2.gz NKAWCCXDACBXCD-DGCLKSJQSA-N 2 2 310.323 3.384 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2F)CCCO1 ZINC000277663362 432867928 /nfs/dbraw/zinc/86/79/28/432867928.db2.gz FPKNOSKFMDUBPA-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(Cl)c2F)CCCO1 ZINC000277663362 432867930 /nfs/dbraw/zinc/86/79/30/432867930.db2.gz FPKNOSKFMDUBPA-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP CC[N@@H+]1CC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@@H](C)C1 ZINC000245921719 432869962 /nfs/dbraw/zinc/86/99/62/432869962.db2.gz QZEDGFILOMVOFQ-RDJZCZTQSA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@H+]1CC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@@H](C)C1 ZINC000245921719 432869965 /nfs/dbraw/zinc/86/99/65/432869965.db2.gz QZEDGFILOMVOFQ-RDJZCZTQSA-N 2 2 302.466 3.214 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277363144 432842357 /nfs/dbraw/zinc/84/23/57/432842357.db2.gz XFAIVIAODSOIMI-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277363144 432842358 /nfs/dbraw/zinc/84/23/58/432842358.db2.gz XFAIVIAODSOIMI-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnccn1 ZINC000163240433 432848438 /nfs/dbraw/zinc/84/84/38/432848438.db2.gz RTQQRIKIWJJCCW-RYRKJORJSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnccn1 ZINC000163240433 432848441 /nfs/dbraw/zinc/84/84/41/432848441.db2.gz RTQQRIKIWJJCCW-RYRKJORJSA-N 2 2 310.445 3.180 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[nH+]c1 ZINC000245613328 432850529 /nfs/dbraw/zinc/85/05/29/432850529.db2.gz KPCGVGUDAIJPBC-CGTJXYLNSA-N 2 2 315.461 3.211 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000245623792 432850542 /nfs/dbraw/zinc/85/05/42/432850542.db2.gz PLQBHCKNNXKYBH-SFFUCWETSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000245623792 432850544 /nfs/dbraw/zinc/85/05/44/432850544.db2.gz PLQBHCKNNXKYBH-SFFUCWETSA-N 2 2 306.494 3.044 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000278992013 432924096 /nfs/dbraw/zinc/92/40/96/432924096.db2.gz QFWRDIQWWWXRCT-CORIIIEPSA-N 2 2 320.462 3.064 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)o1 ZINC000279029279 432928171 /nfs/dbraw/zinc/92/81/71/432928171.db2.gz VXAMRZLCLIVOFH-OGHNNQOOSA-N 2 2 303.406 3.146 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)CCC(C)C)CC1 ZINC000289305338 432942386 /nfs/dbraw/zinc/94/23/86/432942386.db2.gz APMUJVWZVAIKGB-MRXNPFEDSA-N 2 2 306.450 3.030 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321423 432944547 /nfs/dbraw/zinc/94/45/47/432944547.db2.gz GGWDWTGKJTXFGE-GWCFXTLKSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321423 432944551 /nfs/dbraw/zinc/94/45/51/432944551.db2.gz GGWDWTGKJTXFGE-GWCFXTLKSA-N 2 2 317.260 3.099 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000289360072 432949539 /nfs/dbraw/zinc/94/95/39/432949539.db2.gz YPNMEOJGSUSFMK-KRWDZBQOSA-N 3 2 303.494 3.424 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000289360072 432949542 /nfs/dbraw/zinc/94/95/42/432949542.db2.gz YPNMEOJGSUSFMK-KRWDZBQOSA-N 3 2 303.494 3.424 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000278793744 432901504 /nfs/dbraw/zinc/90/15/04/432901504.db2.gz QNHMJRQOYNJICT-GJZGRUSLSA-N 2 2 322.449 3.085 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000278793744 432901506 /nfs/dbraw/zinc/90/15/06/432901506.db2.gz QNHMJRQOYNJICT-GJZGRUSLSA-N 2 2 322.449 3.085 20 0 DGADLP COc1cc(C[N@H+](C)CCCc2c[nH+]ccc2C)ccc1O ZINC000288955883 432908546 /nfs/dbraw/zinc/90/85/46/432908546.db2.gz APBCDCKZCWOJRT-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP COc1cc(C[N@@H+](C)CCCc2c[nH+]ccc2C)ccc1O ZINC000288955883 432908550 /nfs/dbraw/zinc/90/85/50/432908550.db2.gz APBCDCKZCWOJRT-UHFFFAOYSA-N 2 2 300.402 3.169 20 0 DGADLP COc1ccc(OCCC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289038020 432915528 /nfs/dbraw/zinc/91/55/28/432915528.db2.gz AKLWUOJVXSXKJA-UHFFFAOYSA-N 2 2 314.429 3.390 20 0 DGADLP Cc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)c(C)[nH+]1 ZINC000296546924 432921556 /nfs/dbraw/zinc/92/15/56/432921556.db2.gz GRIYOZLVEKKKCF-UHFFFAOYSA-N 2 2 304.438 3.086 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000289480751 432965926 /nfs/dbraw/zinc/96/59/26/432965926.db2.gz RTAQREXEBOEKIH-CQSZACIVSA-N 2 2 324.852 3.027 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000289480751 432965930 /nfs/dbraw/zinc/96/59/30/432965930.db2.gz RTAQREXEBOEKIH-CQSZACIVSA-N 2 2 324.852 3.027 20 0 DGADLP Clc1ccc(-c2ncc(C[NH2+]CCn3cc[nH+]c3)s2)cc1 ZINC000341119738 432966893 /nfs/dbraw/zinc/96/68/93/432966893.db2.gz ZOBKDRAQBVKSQD-UHFFFAOYSA-N 2 2 318.833 3.450 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)cs2)o1 ZINC000341146200 432975096 /nfs/dbraw/zinc/97/50/96/432975096.db2.gz PRIFXEXNISQSNU-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)cs2)o1 ZINC000341146200 432975101 /nfs/dbraw/zinc/97/51/01/432975101.db2.gz PRIFXEXNISQSNU-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cn2c1 ZINC000341150375 432976822 /nfs/dbraw/zinc/97/68/22/432976822.db2.gz UNNFLXRABLPDCS-HNNXBMFYSA-N 2 2 314.477 3.243 20 0 DGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[N@H+]3CCC[C@H](C)C3)cn2c1 ZINC000341150375 432976826 /nfs/dbraw/zinc/97/68/26/432976826.db2.gz UNNFLXRABLPDCS-HNNXBMFYSA-N 2 2 314.477 3.243 20 0 DGADLP CC(C)n1nccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000279548302 432982399 /nfs/dbraw/zinc/98/23/99/432982399.db2.gz AYJMBWVVWPSSJL-UHFFFAOYSA-N 2 2 313.380 3.079 20 0 DGADLP COC1CC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000349670301 432988473 /nfs/dbraw/zinc/98/84/73/432988473.db2.gz VEINNHSHRHMXPW-UHFFFAOYSA-N 2 2 308.853 3.071 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1nccn1-c1ccccc1 ZINC000290160591 433004180 /nfs/dbraw/zinc/00/41/80/433004180.db2.gz PZTBCAMHEIUWOD-OAHLLOKOSA-N 2 2 321.428 3.184 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1nccn1-c1ccccc1 ZINC000290160589 433004378 /nfs/dbraw/zinc/00/43/78/433004378.db2.gz PZTBCAMHEIUWOD-HNNXBMFYSA-N 2 2 321.428 3.184 20 0 DGADLP COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000290174519 433007174 /nfs/dbraw/zinc/00/71/74/433007174.db2.gz YQOHBWGIJFBIQK-SFHVURJKSA-N 2 2 312.413 3.169 20 0 DGADLP COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000290174519 433007177 /nfs/dbraw/zinc/00/71/77/433007177.db2.gz YQOHBWGIJFBIQK-SFHVURJKSA-N 2 2 312.413 3.169 20 0 DGADLP COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000290174516 433007678 /nfs/dbraw/zinc/00/76/78/433007678.db2.gz YQOHBWGIJFBIQK-GOSISDBHSA-N 2 2 312.413 3.169 20 0 DGADLP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000290174516 433007682 /nfs/dbraw/zinc/00/76/82/433007682.db2.gz YQOHBWGIJFBIQK-GOSISDBHSA-N 2 2 312.413 3.169 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290203356 433012750 /nfs/dbraw/zinc/01/27/50/433012750.db2.gz DFRYIDAHMCOUFX-MRXNPFEDSA-N 2 2 314.429 3.388 20 0 DGADLP CC(C)(CNc1cc[nH+]c2c(Cl)cccc12)[NH+]1CCOCC1 ZINC000341384603 433045557 /nfs/dbraw/zinc/04/55/57/433045557.db2.gz QRPJBZPQRPJCFB-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000297885671 433026884 /nfs/dbraw/zinc/02/68/84/433026884.db2.gz VGMWHQGTMICVLY-TYNCELHUSA-N 2 2 305.853 3.327 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2OCCC[NH+]1CCCCC1 ZINC000341361195 433038751 /nfs/dbraw/zinc/03/87/51/433038751.db2.gz OORDZDYWIWFPCI-UHFFFAOYSA-N 2 2 300.402 3.498 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000361247940 433056710 /nfs/dbraw/zinc/05/67/10/433056710.db2.gz AEBCJNAMLBJTBE-CQSZACIVSA-N 2 2 315.323 3.226 20 0 DGADLP Cc1ccncc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290473109 433059335 /nfs/dbraw/zinc/05/93/35/433059335.db2.gz NPWQKLJCKQHNNM-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccncc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290473109 433059344 /nfs/dbraw/zinc/05/93/44/433059344.db2.gz NPWQKLJCKQHNNM-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000156097303 292723748 /nfs/dbraw/zinc/72/37/48/292723748.db2.gz JJFQDUYIGSGSMH-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000337383632 289288334 /nfs/dbraw/zinc/28/83/34/289288334.db2.gz KCQQYMJLYPPLKB-RTBURBONSA-N 2 2 316.489 3.098 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000419714888 433068883 /nfs/dbraw/zinc/06/88/83/433068883.db2.gz UUWRYTAQOVTSNS-FUHWJXTLSA-N 2 2 312.461 3.160 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccc(F)c(F)c1 ZINC000290507002 433070156 /nfs/dbraw/zinc/07/01/56/433070156.db2.gz WWYRDWXSYFYVSM-UHFFFAOYSA-N 2 2 306.356 3.269 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000290487577 433065153 /nfs/dbraw/zinc/06/51/53/433065153.db2.gz VQVXTZPLOWIGDQ-LJQANCHMSA-N 2 2 310.441 3.426 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)co1 ZINC000350098357 433074246 /nfs/dbraw/zinc/07/42/46/433074246.db2.gz LSCMDTIBQHRFAF-PBHICJAKSA-N 2 2 322.449 3.056 20 0 DGADLP Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341492903 433089085 /nfs/dbraw/zinc/08/90/85/433089085.db2.gz FINGWFACRLMUMC-OAHLLOKOSA-N 2 2 310.445 3.595 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3c(C)cccn13)CCO2 ZINC000341549896 433126287 /nfs/dbraw/zinc/12/62/87/433126287.db2.gz XFTLUYYGBAZKGW-QGZVFWFLSA-N 2 2 323.396 3.265 20 0 DGADLP CC(C)c1nc(N2CCC[C@@H](CC[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420235527 433130836 /nfs/dbraw/zinc/13/08/36/433130836.db2.gz CPVAAJWACVFHJM-AWEZNQCLSA-N 2 2 304.482 3.463 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)c2ccccc21 ZINC000354540388 433139577 /nfs/dbraw/zinc/13/95/77/433139577.db2.gz KGIREBPCDDKQIU-IBGZPJMESA-N 2 2 323.440 3.410 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000361377760 433142242 /nfs/dbraw/zinc/14/22/42/433142242.db2.gz PHLXADXZSKYIKX-DOTOQJQBSA-N 2 2 315.461 3.075 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000361377760 433142250 /nfs/dbraw/zinc/14/22/50/433142250.db2.gz PHLXADXZSKYIKX-DOTOQJQBSA-N 2 2 315.461 3.075 20 0 DGADLP COc1ccc(COCC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354545018 433142826 /nfs/dbraw/zinc/14/28/26/433142826.db2.gz HOZVBAXHBPYGBM-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000420296986 433150727 /nfs/dbraw/zinc/15/07/27/433150727.db2.gz XUVCSJFEEAOURW-MRXNPFEDSA-N 2 2 318.490 3.114 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000420296986 433150734 /nfs/dbraw/zinc/15/07/34/433150734.db2.gz XUVCSJFEEAOURW-MRXNPFEDSA-N 2 2 318.490 3.114 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305098 433152541 /nfs/dbraw/zinc/15/25/41/433152541.db2.gz JSFZRFNEUIMAGY-QWRGUYRKSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305098 433152551 /nfs/dbraw/zinc/15/25/51/433152551.db2.gz JSFZRFNEUIMAGY-QWRGUYRKSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305097 433153279 /nfs/dbraw/zinc/15/32/79/433153279.db2.gz JSFZRFNEUIMAGY-MNOVXSKESA-N 2 2 323.412 3.257 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420305097 433153281 /nfs/dbraw/zinc/15/32/81/433153281.db2.gz JSFZRFNEUIMAGY-MNOVXSKESA-N 2 2 323.412 3.257 20 0 DGADLP Cc1cc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341508704 433103094 /nfs/dbraw/zinc/10/30/94/433103094.db2.gz WMSDWDCBDGNEBI-GJZGRUSLSA-N 2 2 316.493 3.832 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453342644 433105674 /nfs/dbraw/zinc/10/56/74/433105674.db2.gz IRIFLOLBOBPAQF-CAMMJAKZSA-N 2 2 301.478 3.174 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453342644 433105684 /nfs/dbraw/zinc/10/56/84/433105684.db2.gz IRIFLOLBOBPAQF-CAMMJAKZSA-N 2 2 301.478 3.174 20 0 DGADLP COC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)cc1 ZINC000354486916 433111423 /nfs/dbraw/zinc/11/14/23/433111423.db2.gz YUADAMPVTBDYBL-GOSISDBHSA-N 2 2 302.393 3.439 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361495397 433207502 /nfs/dbraw/zinc/20/75/02/433207502.db2.gz DPBGMISOYXFPGZ-MBOZVWFJSA-N 3 2 315.505 3.142 20 0 DGADLP Cc1cc(C[NH2+]CC2([NH3+])CCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420317286 433158505 /nfs/dbraw/zinc/15/85/05/433158505.db2.gz ZHGYTQLAHZMXQT-UHFFFAOYSA-N 2 2 316.836 3.076 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1C ZINC000425319629 433163108 /nfs/dbraw/zinc/16/31/08/433163108.db2.gz BCYCVLOCKXXACG-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1C ZINC000425319629 433163114 /nfs/dbraw/zinc/16/31/14/433163114.db2.gz BCYCVLOCKXXACG-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP CC1(C)CCC[N@@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000453406669 433163658 /nfs/dbraw/zinc/16/36/58/433163658.db2.gz UCDXJECCMWACJT-INIZCTEOSA-N 2 2 316.424 3.102 20 0 DGADLP CC1(C)CCC[N@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000453406669 433163667 /nfs/dbraw/zinc/16/36/67/433163667.db2.gz UCDXJECCMWACJT-INIZCTEOSA-N 2 2 316.424 3.102 20 0 DGADLP FC(F)(F)c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420329921 433163789 /nfs/dbraw/zinc/16/37/89/433163789.db2.gz AJNNRQGGIADWJA-NSHDSACASA-N 2 2 319.396 3.126 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)n1C ZINC000425337825 433172306 /nfs/dbraw/zinc/17/23/06/433172306.db2.gz OINCBEFOBNMXBO-KRWDZBQOSA-N 2 2 312.461 3.112 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C[NH3+])C1 ZINC000420347659 433173871 /nfs/dbraw/zinc/17/38/71/433173871.db2.gz ZAHGNJMUMXSHHR-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H](C[NH3+])C1 ZINC000420347659 433173880 /nfs/dbraw/zinc/17/38/80/433173880.db2.gz ZAHGNJMUMXSHHR-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420359166 433174723 /nfs/dbraw/zinc/17/47/23/433174723.db2.gz GCTIYQXMPIOGSQ-SPYBWZPUSA-N 2 2 311.429 3.350 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000420357863 433175331 /nfs/dbraw/zinc/17/53/31/433175331.db2.gz DUTGHUBDXGKHPT-TYNCELHUSA-N 2 2 316.367 3.104 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420369498 433181346 /nfs/dbraw/zinc/18/13/46/433181346.db2.gz XPYOXLUVSVZJHL-INIZCTEOSA-N 2 2 323.868 3.084 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713302 433184381 /nfs/dbraw/zinc/18/43/81/433184381.db2.gz MREZZPQXPKMWIN-ZYSHUDEJSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713302 433184392 /nfs/dbraw/zinc/18/43/92/433184392.db2.gz MREZZPQXPKMWIN-ZYSHUDEJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000420378134 433185968 /nfs/dbraw/zinc/18/59/68/433185968.db2.gz WUEUXKCYNFQGNZ-HSMVNMDESA-N 2 2 303.837 3.364 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000420378193 433186209 /nfs/dbraw/zinc/18/62/09/433186209.db2.gz XAJKXZZOZKKFKS-SUNKGSAMSA-N 2 2 302.340 3.061 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](CC2CCC2)c2ccccc2)n1 ZINC000420399473 433197475 /nfs/dbraw/zinc/19/74/75/433197475.db2.gz HYZWWGSDWUOTJY-OAHLLOKOSA-N 2 2 314.433 3.285 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420407846 433198054 /nfs/dbraw/zinc/19/80/54/433198054.db2.gz VOECQKQTXKCOND-GDBMZVCRSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420407846 433198064 /nfs/dbraw/zinc/19/80/64/433198064.db2.gz VOECQKQTXKCOND-GDBMZVCRSA-N 2 2 307.507 3.450 20 0 DGADLP c1ccc2sc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)nc2c1 ZINC000420399803 433198076 /nfs/dbraw/zinc/19/80/76/433198076.db2.gz OJJPBXPXIPSXMP-ZFWWWQNUSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2sc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)nc2c1 ZINC000420399803 433198102 /nfs/dbraw/zinc/19/81/02/433198102.db2.gz OJJPBXPXIPSXMP-ZFWWWQNUSA-N 2 2 301.459 3.260 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000354652571 433200955 /nfs/dbraw/zinc/20/09/55/433200955.db2.gz RHOAXBSLBSFGGV-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000354652571 433200963 /nfs/dbraw/zinc/20/09/63/433200963.db2.gz RHOAXBSLBSFGGV-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000354652569 433201371 /nfs/dbraw/zinc/20/13/71/433201371.db2.gz RHOAXBSLBSFGGV-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000354652569 433201378 /nfs/dbraw/zinc/20/13/78/433201378.db2.gz RHOAXBSLBSFGGV-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP COc1c(C)cnc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)c1C ZINC000354654162 433205299 /nfs/dbraw/zinc/20/52/99/433205299.db2.gz USZQJOZEKNZSFO-UHFFFAOYSA-N 2 2 313.445 3.475 20 0 DGADLP COc1c(C)cnc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)c1C ZINC000354654162 433205308 /nfs/dbraw/zinc/20/53/08/433205308.db2.gz USZQJOZEKNZSFO-UHFFFAOYSA-N 2 2 313.445 3.475 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000447527369 433212651 /nfs/dbraw/zinc/21/26/51/433212651.db2.gz DVRQYZUPLSJJPX-CQSZACIVSA-N 2 2 322.449 3.371 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000447527369 433212656 /nfs/dbraw/zinc/21/26/56/433212656.db2.gz DVRQYZUPLSJJPX-CQSZACIVSA-N 2 2 322.449 3.371 20 0 DGADLP CCc1ccc([C@@H]2CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425378177 433213028 /nfs/dbraw/zinc/21/30/28/433213028.db2.gz IVYUXLCNUROZFB-QGZVFWFLSA-N 2 2 312.461 3.038 20 0 DGADLP CCc1ccc([C@@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425378177 433213036 /nfs/dbraw/zinc/21/30/36/433213036.db2.gz IVYUXLCNUROZFB-QGZVFWFLSA-N 2 2 312.461 3.038 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000447555908 433227227 /nfs/dbraw/zinc/22/72/27/433227227.db2.gz DLBXPJLNJNEGIW-TYNCELHUSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000447555908 433227236 /nfs/dbraw/zinc/22/72/36/433227236.db2.gz DLBXPJLNJNEGIW-TYNCELHUSA-N 2 2 311.267 3.440 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3C[C@@]4(CCCO4)[C@@H]3C3CC3)c2)c[nH+]1 ZINC000354710724 433227424 /nfs/dbraw/zinc/22/74/24/433227424.db2.gz HJAXRTLAPFWEME-IRXDYDNUSA-N 2 2 315.442 3.077 20 0 DGADLP c1cn(-c2csc(C[N@H+]3C[C@@]4(CCCO4)[C@@H]3C3CC3)c2)c[nH+]1 ZINC000354710724 433227435 /nfs/dbraw/zinc/22/74/35/433227435.db2.gz HJAXRTLAPFWEME-IRXDYDNUSA-N 2 2 315.442 3.077 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccsc1Cl ZINC000361543143 433234671 /nfs/dbraw/zinc/23/46/71/433234671.db2.gz KWQWILJDYHILJA-MCIONIFRSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccsc1Cl ZINC000361543143 433234680 /nfs/dbraw/zinc/23/46/80/433234680.db2.gz KWQWILJDYHILJA-MCIONIFRSA-N 2 2 314.882 3.085 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562271 433251266 /nfs/dbraw/zinc/25/12/66/433251266.db2.gz KOCSEGLRPFUTKW-INIZCTEOSA-N 2 2 300.446 3.114 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562271 433251273 /nfs/dbraw/zinc/25/12/73/433251273.db2.gz KOCSEGLRPFUTKW-INIZCTEOSA-N 2 2 300.446 3.114 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562271 433251279 /nfs/dbraw/zinc/25/12/79/433251279.db2.gz KOCSEGLRPFUTKW-INIZCTEOSA-N 2 2 300.446 3.114 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562271 433251284 /nfs/dbraw/zinc/25/12/84/433251284.db2.gz KOCSEGLRPFUTKW-INIZCTEOSA-N 2 2 300.446 3.114 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718314 433263145 /nfs/dbraw/zinc/26/31/45/433263145.db2.gz LWHWKALOHJFOPG-QAPCUYQASA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718314 433263153 /nfs/dbraw/zinc/26/31/53/433263153.db2.gz LWHWKALOHJFOPG-QAPCUYQASA-N 2 2 324.472 3.110 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)C[NH+]1CCOCC1 ZINC000153169271 289689425 /nfs/dbraw/zinc/68/94/25/289689425.db2.gz UDBJPKQIUGKQNN-OLZOCXBDSA-N 2 2 314.832 3.098 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726564 433267528 /nfs/dbraw/zinc/26/75/28/433267528.db2.gz GGJXPKGVXKJWPX-CMPLNLGQSA-N 2 2 321.412 3.324 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726564 433267539 /nfs/dbraw/zinc/26/75/39/433267539.db2.gz GGJXPKGVXKJWPX-CMPLNLGQSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726564 433267540 /nfs/dbraw/zinc/26/75/40/433267540.db2.gz GGJXPKGVXKJWPX-CMPLNLGQSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000447726564 433267548 /nfs/dbraw/zinc/26/75/48/433267548.db2.gz GGJXPKGVXKJWPX-CMPLNLGQSA-N 2 2 321.412 3.324 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000350743200 433274103 /nfs/dbraw/zinc/27/41/03/433274103.db2.gz GCVRUBIXQCYVRA-MRXNPFEDSA-N 2 2 305.466 3.181 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000350743200 433274107 /nfs/dbraw/zinc/27/41/07/433274107.db2.gz GCVRUBIXQCYVRA-MRXNPFEDSA-N 2 2 305.466 3.181 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000281333415 433290648 /nfs/dbraw/zinc/29/06/48/433290648.db2.gz LJELKDVKGFZJCD-UHFFFAOYSA-N 2 2 314.477 3.384 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000281333415 433290654 /nfs/dbraw/zinc/29/06/54/433290654.db2.gz LJELKDVKGFZJCD-UHFFFAOYSA-N 2 2 314.477 3.384 20 0 DGADLP Cc1c(C)c(C)c(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(C)c1C ZINC000361621639 433294374 /nfs/dbraw/zinc/29/43/74/433294374.db2.gz WNMIYAFXUUCDRC-UHFFFAOYSA-N 2 2 318.505 3.117 20 0 DGADLP Cc1c(C)c(C)c(C[N@H+](C)C2CC[NH+](CCO)CC2)c(C)c1C ZINC000361621639 433294378 /nfs/dbraw/zinc/29/43/78/433294378.db2.gz WNMIYAFXUUCDRC-UHFFFAOYSA-N 2 2 318.505 3.117 20 0 DGADLP c1ccc2c(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420904405 433301230 /nfs/dbraw/zinc/30/12/30/433301230.db2.gz PKWASHROEXSGHS-UHFFFAOYSA-N 2 2 322.452 3.077 20 0 DGADLP c1ccc2c(c1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420904405 433301234 /nfs/dbraw/zinc/30/12/34/433301234.db2.gz PKWASHROEXSGHS-UHFFFAOYSA-N 2 2 322.452 3.077 20 0 DGADLP Cc1cc(N2CC[NH+](CCCCCF)CC2)nc(C(C)C)[nH+]1 ZINC000341833540 433302968 /nfs/dbraw/zinc/30/29/68/433302968.db2.gz FGOAPTSLHDFLJO-UHFFFAOYSA-N 2 2 308.445 3.170 20 0 DGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000420901915 433305234 /nfs/dbraw/zinc/30/52/34/433305234.db2.gz MAEKRTLMBVLPKE-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000420901915 433305243 /nfs/dbraw/zinc/30/52/43/433305243.db2.gz MAEKRTLMBVLPKE-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917755 433313155 /nfs/dbraw/zinc/31/31/55/433313155.db2.gz TYYXMAYPMHRMDH-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917755 433313163 /nfs/dbraw/zinc/31/31/63/433313163.db2.gz TYYXMAYPMHRMDH-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000448026672 433351119 /nfs/dbraw/zinc/35/11/19/433351119.db2.gz JGYNNTFWXDXDLC-SJORKVTESA-N 2 2 318.509 3.158 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000448026672 433351129 /nfs/dbraw/zinc/35/11/29/433351129.db2.gz JGYNNTFWXDXDLC-SJORKVTESA-N 2 2 318.509 3.158 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@@H]1C ZINC000414070111 433377720 /nfs/dbraw/zinc/37/77/20/433377720.db2.gz KXDAUAFQPSGKHW-SNRMKQJTSA-N 2 2 302.462 3.043 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448032875 433356620 /nfs/dbraw/zinc/35/66/20/433356620.db2.gz XMDGWVXWWASNNX-WCXIOVBPSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448032875 433356623 /nfs/dbraw/zinc/35/66/23/433356623.db2.gz XMDGWVXWWASNNX-WCXIOVBPSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915631 433359419 /nfs/dbraw/zinc/35/94/19/433359419.db2.gz WSKDSCSGDXYQOJ-HBFSDRIKSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915631 433359429 /nfs/dbraw/zinc/35/94/29/433359429.db2.gz WSKDSCSGDXYQOJ-HBFSDRIKSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915631 433359435 /nfs/dbraw/zinc/35/94/35/433359435.db2.gz WSKDSCSGDXYQOJ-HBFSDRIKSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000341915631 433359444 /nfs/dbraw/zinc/35/94/44/433359444.db2.gz WSKDSCSGDXYQOJ-HBFSDRIKSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068794 433372384 /nfs/dbraw/zinc/37/23/84/433372384.db2.gz ISJVSCSGWZWKSL-LSDHHAIUSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068794 433372396 /nfs/dbraw/zinc/37/23/96/433372396.db2.gz ISJVSCSGWZWKSL-LSDHHAIUSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H](C1CCC1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420933836 433330843 /nfs/dbraw/zinc/33/08/43/433330843.db2.gz INUBVYIUMRDOCX-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H](C1CCC1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420933836 433330855 /nfs/dbraw/zinc/33/08/55/433330855.db2.gz INUBVYIUMRDOCX-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP COCc1cc(NC[C@@H](C)C[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000292011130 433427214 /nfs/dbraw/zinc/42/72/14/433427214.db2.gz ZKNWUTNFEHYZOR-GFCCVEGCSA-N 2 2 305.397 3.130 20 0 DGADLP CCc1nocc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000339190807 433427890 /nfs/dbraw/zinc/42/78/90/433427890.db2.gz QPWZLRITVZDAAB-UHFFFAOYSA-N 2 2 313.445 3.300 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1)C[NH+](C)C ZINC000425935797 433379016 /nfs/dbraw/zinc/37/90/16/433379016.db2.gz JWAPAXHFCFIARJ-RDTXWAMCSA-N 2 2 301.409 3.097 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC1(C)C ZINC000414076909 433381458 /nfs/dbraw/zinc/38/14/58/433381458.db2.gz QRMUDZFTJFRPTC-ZWKOTPCHSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1ccc2cc([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)oc2c1 ZINC000425955601 433383169 /nfs/dbraw/zinc/38/31/69/433383169.db2.gz SYEVOMOFMPZUDV-HNNXBMFYSA-N 2 2 316.445 3.239 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025356 433393219 /nfs/dbraw/zinc/39/32/19/433393219.db2.gz YLRBTYMWPPOGLU-KRWDZBQOSA-N 2 2 313.445 3.165 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421025356 433393224 /nfs/dbraw/zinc/39/32/24/433393224.db2.gz YLRBTYMWPPOGLU-KRWDZBQOSA-N 2 2 313.445 3.165 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000448341877 433394082 /nfs/dbraw/zinc/39/40/82/433394082.db2.gz BIDBHDFXYFBDFE-AWEZNQCLSA-N 2 2 317.458 3.489 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000448341877 433394098 /nfs/dbraw/zinc/39/40/98/433394098.db2.gz BIDBHDFXYFBDFE-AWEZNQCLSA-N 2 2 317.458 3.489 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000375269548 433400761 /nfs/dbraw/zinc/40/07/61/433400761.db2.gz ZSJGLDCNDUDJQM-CYBMUJFWSA-N 2 2 316.474 3.406 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000426048492 433410487 /nfs/dbraw/zinc/41/04/87/433410487.db2.gz HNSHQVMRGVGYJL-DLBZAZTESA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000426048492 433410497 /nfs/dbraw/zinc/41/04/97/433410497.db2.gz HNSHQVMRGVGYJL-DLBZAZTESA-N 2 2 302.462 3.017 20 0 DGADLP Cc1cc(NCC[N@@H+]2CCc3sccc3C2)nc(C(C)C)[nH+]1 ZINC000301111222 433416166 /nfs/dbraw/zinc/41/61/66/433416166.db2.gz WCLIDEJDWBCCPB-UHFFFAOYSA-N 2 2 316.474 3.440 20 0 DGADLP Cc1cc(NCC[N@H+]2CCc3sccc3C2)nc(C(C)C)[nH+]1 ZINC000301111222 433416172 /nfs/dbraw/zinc/41/61/72/433416172.db2.gz WCLIDEJDWBCCPB-UHFFFAOYSA-N 2 2 316.474 3.440 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc1C ZINC000414172911 433435962 /nfs/dbraw/zinc/43/59/62/433435962.db2.gz WJFAERFRINKSKA-UZLBHIALSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc1C ZINC000414172911 433435971 /nfs/dbraw/zinc/43/59/71/433435971.db2.gz WJFAERFRINKSKA-UZLBHIALSA-N 2 2 324.472 3.094 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000414205158 433457294 /nfs/dbraw/zinc/45/72/94/433457294.db2.gz GXUFMTZDLOOWBX-FUHWJXTLSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000414205158 433457299 /nfs/dbraw/zinc/45/72/99/433457299.db2.gz GXUFMTZDLOOWBX-FUHWJXTLSA-N 2 2 312.461 3.046 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000361947803 433467164 /nfs/dbraw/zinc/46/71/64/433467164.db2.gz ZJHDXWNKKGJFAU-ZDUSSCGKSA-N 2 2 309.335 3.428 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000361947803 433467175 /nfs/dbraw/zinc/46/71/75/433467175.db2.gz ZJHDXWNKKGJFAU-ZDUSSCGKSA-N 2 2 309.335 3.428 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000339242009 433463132 /nfs/dbraw/zinc/46/31/32/433463132.db2.gz YSZPUIFPWLRGRB-ZDUSSCGKSA-N 2 2 313.536 3.216 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000339242009 433463142 /nfs/dbraw/zinc/46/31/42/433463142.db2.gz YSZPUIFPWLRGRB-ZDUSSCGKSA-N 2 2 313.536 3.216 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000361972554 433475254 /nfs/dbraw/zinc/47/52/54/433475254.db2.gz SBMRITTZTXLJQS-CJNGLKHVSA-N 2 2 310.532 3.496 20 0 DGADLP COC1CCC(C)(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000355123849 433477186 /nfs/dbraw/zinc/47/71/86/433477186.db2.gz NPTVVPWTUZVZMY-UHFFFAOYSA-N 2 2 301.434 3.328 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc(C2CC2)c1 ZINC000421322827 433477383 /nfs/dbraw/zinc/47/73/83/433477383.db2.gz UXUGRJGBRNRUAH-SFHVURJKSA-N 2 2 314.473 3.108 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc(C2CC2)c1 ZINC000421322827 433477394 /nfs/dbraw/zinc/47/73/94/433477394.db2.gz UXUGRJGBRNRUAH-SFHVURJKSA-N 2 2 314.473 3.108 20 0 DGADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447131 433513859 /nfs/dbraw/zinc/51/38/59/433513859.db2.gz UPTCASTYWZSOPO-YOEHRIQHSA-N 2 2 316.445 3.271 20 0 DGADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447131 433513870 /nfs/dbraw/zinc/51/38/70/433513870.db2.gz UPTCASTYWZSOPO-YOEHRIQHSA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447131 433513878 /nfs/dbraw/zinc/51/38/78/433513878.db2.gz UPTCASTYWZSOPO-YOEHRIQHSA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000351447131 433513888 /nfs/dbraw/zinc/51/38/88/433513888.db2.gz UPTCASTYWZSOPO-YOEHRIQHSA-N 2 2 316.445 3.271 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c[nH+]1 ZINC000355186584 433518905 /nfs/dbraw/zinc/51/89/05/433518905.db2.gz ZPTRDCWBXDDWRL-CYBMUJFWSA-N 2 2 302.422 3.354 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000362082816 433519372 /nfs/dbraw/zinc/51/93/72/433519372.db2.gz JBOQYSLCSFJONA-UHFFFAOYSA-N 2 2 321.359 3.137 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](C)[NH+](C)C ZINC000342191281 433528715 /nfs/dbraw/zinc/52/87/15/433528715.db2.gz KVBFOLHWUWVHIM-GHMZBOCLSA-N 2 2 317.246 3.059 20 0 DGADLP CC(C)[C@H](CNc1cc[nH+]c2ccsc21)[NH+]1CCOCC1 ZINC000301380518 433528998 /nfs/dbraw/zinc/52/89/98/433528998.db2.gz YPCIRYZAZMODFV-HNNXBMFYSA-N 2 2 305.447 3.065 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000414303723 433529088 /nfs/dbraw/zinc/52/90/88/433529088.db2.gz LXPRSBAESPSYDD-SOLBZPMBSA-N 2 2 302.462 3.197 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414303723 433529100 /nfs/dbraw/zinc/52/91/00/433529100.db2.gz LXPRSBAESPSYDD-SOLBZPMBSA-N 2 2 302.462 3.197 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)s1 ZINC000355203384 433531929 /nfs/dbraw/zinc/53/19/29/433531929.db2.gz FERSXEGGMQXXNI-XBFCOCLRSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)s1 ZINC000355203384 433531932 /nfs/dbraw/zinc/53/19/32/433531932.db2.gz FERSXEGGMQXXNI-XBFCOCLRSA-N 2 2 314.882 3.085 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)n1C ZINC000414310545 433532137 /nfs/dbraw/zinc/53/21/37/433532137.db2.gz ZZSYPWNPTMXIFI-UHFFFAOYSA-N 2 2 320.868 3.207 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(C)nc(C)c2)n1-c1ccccc1 ZINC000421391720 433536390 /nfs/dbraw/zinc/53/63/90/433536390.db2.gz WRJATEFXAUCENE-UHFFFAOYSA-N 2 2 306.413 3.482 20 0 DGADLP CCn1nccc1C1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000355143089 433489496 /nfs/dbraw/zinc/48/94/96/433489496.db2.gz ZJOIAXZVLRPFJW-UHFFFAOYSA-N 2 2 312.461 3.419 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1O ZINC000426418935 433492836 /nfs/dbraw/zinc/49/28/36/433492836.db2.gz YYMQJIYDPDZSLK-DOTOQJQBSA-N 2 2 322.493 3.288 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000339279757 433492841 /nfs/dbraw/zinc/49/28/41/433492841.db2.gz POJSSWSDKQUWCV-SUMWQHHRSA-N 2 2 319.474 3.471 20 0 DGADLP C[NH+](C)[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1cccs1 ZINC000301304169 433499274 /nfs/dbraw/zinc/49/92/74/433499274.db2.gz XESPRHVTCVSIRH-CYBMUJFWSA-N 2 2 317.462 3.075 20 0 DGADLP Fc1ccc2nc([C@@H]3CCC[N@H+](CCn4cc[nH+]c4)C3)oc2c1 ZINC000362053605 433507314 /nfs/dbraw/zinc/50/73/14/433507314.db2.gz RCACPCVQMUWISW-CYBMUJFWSA-N 2 2 314.364 3.043 20 0 DGADLP Fc1ccc2nc([C@@H]3CCC[N@@H+](CCn4cc[nH+]c4)C3)oc2c1 ZINC000362053605 433507325 /nfs/dbraw/zinc/50/73/25/433507325.db2.gz RCACPCVQMUWISW-CYBMUJFWSA-N 2 2 314.364 3.043 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)CC(F)(F)F ZINC000414280519 433508928 /nfs/dbraw/zinc/50/89/28/433508928.db2.gz LMDGFSFEIVNJKE-CYBMUJFWSA-N 2 2 315.383 3.224 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414281609 433509255 /nfs/dbraw/zinc/50/92/55/433509255.db2.gz MSUJNDPPJNTKFU-RWQQGDIJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414281609 433509261 /nfs/dbraw/zinc/50/92/61/433509261.db2.gz MSUJNDPPJNTKFU-RWQQGDIJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)CC(F)(F)F ZINC000414280520 433509539 /nfs/dbraw/zinc/50/95/39/433509539.db2.gz LMDGFSFEIVNJKE-ZDUSSCGKSA-N 2 2 315.383 3.224 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532447 433554474 /nfs/dbraw/zinc/55/44/74/433554474.db2.gz GXNUYODJLLMXQM-NHCUHLMSSA-N 2 2 324.468 3.129 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc2)cc1 ZINC000351532447 433554485 /nfs/dbraw/zinc/55/44/85/433554485.db2.gz GXNUYODJLLMXQM-NHCUHLMSSA-N 2 2 324.468 3.129 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000339392206 433555562 /nfs/dbraw/zinc/55/55/62/433555562.db2.gz MFKUOPOODBRHPG-HNNXBMFYSA-N 2 2 311.389 3.027 20 0 DGADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)[nH+]cn1 ZINC000301443049 433557562 /nfs/dbraw/zinc/55/75/62/433557562.db2.gz NCMFBQNMFOROPO-GOSISDBHSA-N 2 2 310.445 3.133 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414348758 433559236 /nfs/dbraw/zinc/55/92/36/433559236.db2.gz XQTRBDQWYHRMAH-UEABVUSTSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000414348758 433559245 /nfs/dbraw/zinc/55/92/45/433559245.db2.gz XQTRBDQWYHRMAH-UEABVUSTSA-N 2 2 300.446 3.014 20 0 DGADLP Fc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)ccc1Cl ZINC000351545442 433565546 /nfs/dbraw/zinc/56/55/46/433565546.db2.gz MQSVBVBMBLVOND-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000414360260 433570195 /nfs/dbraw/zinc/57/01/95/433570195.db2.gz QMCWZMHXUKWMEX-RHSMWYFYSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1 ZINC000414360260 433570203 /nfs/dbraw/zinc/57/02/03/433570203.db2.gz QMCWZMHXUKWMEX-RHSMWYFYSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1cc([C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C2CC2)ccc1F ZINC000414361544 433570976 /nfs/dbraw/zinc/57/09/76/433570976.db2.gz CQNWPKZEGNWAFT-KRWDZBQOSA-N 2 2 316.424 3.175 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3[nH+]ccn3-c3ccccc3)n2c1 ZINC000351564966 433580748 /nfs/dbraw/zinc/58/07/48/433580748.db2.gz AFFJAFYYNMXAMH-UHFFFAOYSA-N 2 2 303.369 3.441 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2[nH+]ccn2-c2ccccc2)s1 ZINC000351568493 433583095 /nfs/dbraw/zinc/58/30/95/433583095.db2.gz MZBSLFDXKBQGDQ-UHFFFAOYSA-N 2 2 313.430 3.003 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439070 433585447 /nfs/dbraw/zinc/58/54/47/433585447.db2.gz SRSFGVRQCYCTAJ-GOSISDBHSA-N 2 2 320.864 3.193 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439070 433585453 /nfs/dbraw/zinc/58/54/53/433585453.db2.gz SRSFGVRQCYCTAJ-GOSISDBHSA-N 2 2 320.864 3.193 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439070 433585458 /nfs/dbraw/zinc/58/54/58/433585458.db2.gz SRSFGVRQCYCTAJ-GOSISDBHSA-N 2 2 320.864 3.193 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc4c3OCC4)C2)C1 ZINC000339439070 433585464 /nfs/dbraw/zinc/58/54/64/433585464.db2.gz SRSFGVRQCYCTAJ-GOSISDBHSA-N 2 2 320.864 3.193 20 0 DGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384136 433588689 /nfs/dbraw/zinc/58/86/89/433588689.db2.gz BLRVPIBVMDHJOR-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384136 433588695 /nfs/dbraw/zinc/58/86/95/433588695.db2.gz BLRVPIBVMDHJOR-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384136 433588705 /nfs/dbraw/zinc/58/87/05/433588705.db2.gz BLRVPIBVMDHJOR-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000414384136 433588715 /nfs/dbraw/zinc/58/87/15/433588715.db2.gz BLRVPIBVMDHJOR-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342215004 433543080 /nfs/dbraw/zinc/54/30/80/433543080.db2.gz MTVWLJLKRNVFGX-QAPCUYQASA-N 2 2 322.456 3.737 20 0 DGADLP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342215004 433543086 /nfs/dbraw/zinc/54/30/86/433543086.db2.gz MTVWLJLKRNVFGX-QAPCUYQASA-N 2 2 322.456 3.737 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)n1C ZINC000414328662 433545820 /nfs/dbraw/zinc/54/58/20/433545820.db2.gz ASTGKOJAWDXQIW-UHFFFAOYSA-N 2 2 316.424 3.184 20 0 DGADLP CC(C)CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162942277 292861365 /nfs/dbraw/zinc/86/13/65/292861365.db2.gz DIKQYOZSGHGKQM-CYBMUJFWSA-N 2 2 310.405 3.447 20 0 DGADLP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351661457 433646481 /nfs/dbraw/zinc/64/64/81/433646481.db2.gz LUKJSOUUEYAKSR-SFHVURJKSA-N 2 2 314.473 3.108 20 0 DGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351661457 433646488 /nfs/dbraw/zinc/64/64/88/433646488.db2.gz LUKJSOUUEYAKSR-SFHVURJKSA-N 2 2 314.473 3.108 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1Cl ZINC000414397650 433595156 /nfs/dbraw/zinc/59/51/56/433595156.db2.gz UTYHTLUDUAXLRX-SNVBAGLBSA-N 2 2 310.804 3.129 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584763 433599880 /nfs/dbraw/zinc/59/98/80/433599880.db2.gz WRYHWJOKFHUOKT-GXFFZTMASA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584763 433599887 /nfs/dbraw/zinc/59/98/87/433599887.db2.gz WRYHWJOKFHUOKT-GXFFZTMASA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]1[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC12CCOCC2 ZINC000351592267 433602853 /nfs/dbraw/zinc/60/28/53/433602853.db2.gz JJVLJFSISOBGJE-CQSZACIVSA-N 2 2 317.458 3.325 20 0 DGADLP C[C@H]1[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC12CCOCC2 ZINC000351592267 433602855 /nfs/dbraw/zinc/60/28/55/433602855.db2.gz JJVLJFSISOBGJE-CQSZACIVSA-N 2 2 317.458 3.325 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)co2)cc1 ZINC000351600004 433608798 /nfs/dbraw/zinc/60/87/98/433608798.db2.gz LUILRXBOUCANDR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)co2)cc1 ZINC000351600004 433608804 /nfs/dbraw/zinc/60/88/04/433608804.db2.gz LUILRXBOUCANDR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2nc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)co2)cc1 ZINC000351600004 433608814 /nfs/dbraw/zinc/60/88/14/433608814.db2.gz LUILRXBOUCANDR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2nc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)co2)cc1 ZINC000351600004 433608820 /nfs/dbraw/zinc/60/88/20/433608820.db2.gz LUILRXBOUCANDR-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Clc1c[nH+]ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301566040 433615394 /nfs/dbraw/zinc/61/53/94/433615394.db2.gz JPYYXAIHQHXHRG-HNNXBMFYSA-N 2 2 317.820 3.048 20 0 DGADLP Clc1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301566040 433615403 /nfs/dbraw/zinc/61/54/03/433615403.db2.gz JPYYXAIHQHXHRG-HNNXBMFYSA-N 2 2 317.820 3.048 20 0 DGADLP COCC[C@H](C)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000414484318 433652338 /nfs/dbraw/zinc/65/23/38/433652338.db2.gz PXJBBHRMJKZOLM-SCTDSRPQSA-N 2 2 304.478 3.159 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427100556 433652445 /nfs/dbraw/zinc/65/24/45/433652445.db2.gz LMJWVBSOCXGIMC-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427100556 433652458 /nfs/dbraw/zinc/65/24/58/433652458.db2.gz LMJWVBSOCXGIMC-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP COCC[C@H](C)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000414484318 433652350 /nfs/dbraw/zinc/65/23/50/433652350.db2.gz PXJBBHRMJKZOLM-SCTDSRPQSA-N 2 2 304.478 3.159 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427107274 433653905 /nfs/dbraw/zinc/65/39/05/433653905.db2.gz JOAXHJITTFVRRT-YGRLFVJLSA-N 2 2 315.244 3.186 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427107274 433653914 /nfs/dbraw/zinc/65/39/14/433653914.db2.gz JOAXHJITTFVRRT-YGRLFVJLSA-N 2 2 315.244 3.186 20 0 DGADLP Cc1cc[nH+]c(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000301641680 433654279 /nfs/dbraw/zinc/65/42/79/433654279.db2.gz NNYXAYKSIPQLEF-KRWDZBQOSA-N 2 2 310.445 3.013 20 0 DGADLP CC(C)SCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000283100721 433665086 /nfs/dbraw/zinc/66/50/86/433665086.db2.gz LTDBIBUTFVPENP-UHFFFAOYSA-N 2 2 321.534 3.162 20 0 DGADLP CC(C)SCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000283100721 433665095 /nfs/dbraw/zinc/66/50/95/433665095.db2.gz LTDBIBUTFVPENP-UHFFFAOYSA-N 2 2 321.534 3.162 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000342413006 433673873 /nfs/dbraw/zinc/67/38/73/433673873.db2.gz FAJIBKIUEUZSPE-QRQLOZEOSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000342413006 433673882 /nfs/dbraw/zinc/67/38/82/433673882.db2.gz FAJIBKIUEUZSPE-QRQLOZEOSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000342413004 433674088 /nfs/dbraw/zinc/67/40/88/433674088.db2.gz FAJIBKIUEUZSPE-NEWSRXKRSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000342413004 433674093 /nfs/dbraw/zinc/67/40/93/433674093.db2.gz FAJIBKIUEUZSPE-NEWSRXKRSA-N 2 2 322.452 3.415 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCOC3)C2)cc1 ZINC000367166889 293032953 /nfs/dbraw/zinc/03/29/53/293032953.db2.gz WYMMXCOJMIWRHM-QHAWAJNXSA-N 2 2 322.452 3.033 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCOC3)C2)cc1 ZINC000367166889 293032956 /nfs/dbraw/zinc/03/29/56/293032956.db2.gz WYMMXCOJMIWRHM-QHAWAJNXSA-N 2 2 322.452 3.033 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000367207632 293038679 /nfs/dbraw/zinc/03/86/79/293038679.db2.gz YQVYVJMQDQJVJK-UHFFFAOYSA-N 2 2 318.461 3.200 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(OC)c1 ZINC000367434996 293071904 /nfs/dbraw/zinc/07/19/04/293071904.db2.gz APSKJIDLFBEODX-ZDUSSCGKSA-N 2 2 315.417 3.087 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)CCO2 ZINC000367439366 293072717 /nfs/dbraw/zinc/07/27/17/293072717.db2.gz UCFABYOPUSEIOR-KRWDZBQOSA-N 2 2 311.429 3.395 20 0 DGADLP Cc1c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cnn1C(C)(C)C ZINC000367439106 293072743 /nfs/dbraw/zinc/07/27/43/293072743.db2.gz RMZFBYXTILNSCW-CYBMUJFWSA-N 2 2 315.465 3.330 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367683649 293090430 /nfs/dbraw/zinc/09/04/30/293090430.db2.gz JCFMZVWNNZBMCB-ZWKOTPCHSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367683649 293090435 /nfs/dbraw/zinc/09/04/35/293090435.db2.gz JCFMZVWNNZBMCB-ZWKOTPCHSA-N 2 2 302.462 3.461 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000414538505 433701034 /nfs/dbraw/zinc/70/10/34/433701034.db2.gz QVBOYFFMIDECFY-IRXDYDNUSA-N 2 2 324.509 3.208 20 0 DGADLP CCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000368496567 293127538 /nfs/dbraw/zinc/12/75/38/293127538.db2.gz POFJJGQXQVRTDK-UHFFFAOYSA-N 2 2 303.381 3.047 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498796 293128342 /nfs/dbraw/zinc/12/83/42/293128342.db2.gz KPQPCKSKAJXZDI-PMACEKPBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498796 293128345 /nfs/dbraw/zinc/12/83/45/293128345.db2.gz KPQPCKSKAJXZDI-PMACEKPBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498796 293128350 /nfs/dbraw/zinc/12/83/50/293128350.db2.gz KPQPCKSKAJXZDI-PMACEKPBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@H]3C3CC3)C2)cc1 ZINC000368498796 293128352 /nfs/dbraw/zinc/12/83/52/293128352.db2.gz KPQPCKSKAJXZDI-PMACEKPBSA-N 2 2 314.473 3.152 20 0 DGADLP COC[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828460 293152243 /nfs/dbraw/zinc/15/22/43/293152243.db2.gz UWONMVBMLNATMC-LPHOPBHVSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828460 293152247 /nfs/dbraw/zinc/15/22/47/293152247.db2.gz UWONMVBMLNATMC-LPHOPBHVSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)(C)c1cc(NCCn2cc[nH+]c2)nc(C(C)(C)C)[nH+]1 ZINC000301730858 433698670 /nfs/dbraw/zinc/69/86/70/433698670.db2.gz OZUPCCUTXIAXSK-UHFFFAOYSA-N 2 2 301.438 3.380 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000371278171 293208421 /nfs/dbraw/zinc/20/84/21/293208421.db2.gz WUUJTTAGYILYPQ-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000371278171 293208423 /nfs/dbraw/zinc/20/84/23/293208423.db2.gz WUUJTTAGYILYPQ-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000373314711 293259766 /nfs/dbraw/zinc/25/97/66/293259766.db2.gz ZYKLFCZTTSHONE-OAHLLOKOSA-N 2 2 317.408 3.397 20 0 DGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373364867 293265795 /nfs/dbraw/zinc/26/57/95/293265795.db2.gz LCPFSWRIJQWJJH-HNAYVOBHSA-N 2 2 313.445 3.128 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000374269149 293374687 /nfs/dbraw/zinc/37/46/87/293374687.db2.gz NFVLIPSJIAAVHI-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000374269149 293374688 /nfs/dbraw/zinc/37/46/88/293374688.db2.gz NFVLIPSJIAAVHI-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000374269149 293374690 /nfs/dbraw/zinc/37/46/90/293374690.db2.gz NFVLIPSJIAAVHI-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000374269149 293374691 /nfs/dbraw/zinc/37/46/91/293374691.db2.gz NFVLIPSJIAAVHI-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000427590958 433731653 /nfs/dbraw/zinc/73/16/53/433731653.db2.gz GBGDWLNJRMVJLG-NSHGMRRFSA-N 2 2 318.505 3.343 20 0 DGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000427590958 433731665 /nfs/dbraw/zinc/73/16/65/433731665.db2.gz GBGDWLNJRMVJLG-NSHGMRRFSA-N 2 2 318.505 3.343 20 0 DGADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000356849564 433732547 /nfs/dbraw/zinc/73/25/47/433732547.db2.gz PVTZVOKUBAKVHB-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCOC1 ZINC000356866053 433739265 /nfs/dbraw/zinc/73/92/65/433739265.db2.gz LNYVEVAPTHBNJR-DOTOQJQBSA-N 2 2 320.452 3.195 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000449398966 433742795 /nfs/dbraw/zinc/74/27/95/433742795.db2.gz XIQUCCIRPFXDMU-XUVXKRRUSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000449398966 433742806 /nfs/dbraw/zinc/74/28/06/433742806.db2.gz XIQUCCIRPFXDMU-XUVXKRRUSA-N 2 2 316.489 3.149 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1[nH+]c2ccccc2n1C ZINC000342707621 433746882 /nfs/dbraw/zinc/74/68/82/433746882.db2.gz HGUYGIKZBSTGNR-OAHLLOKOSA-N 2 2 300.450 3.640 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1[nH+]c2ccccc2n1C ZINC000342707621 433746891 /nfs/dbraw/zinc/74/68/91/433746891.db2.gz HGUYGIKZBSTGNR-OAHLLOKOSA-N 2 2 300.450 3.640 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000351848205 433755040 /nfs/dbraw/zinc/75/50/40/433755040.db2.gz CNIDWIUJWRDARX-XJKSGUPXSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000351848205 433755046 /nfs/dbraw/zinc/75/50/46/433755046.db2.gz CNIDWIUJWRDARX-XJKSGUPXSA-N 2 2 314.433 3.029 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421828877 433755235 /nfs/dbraw/zinc/75/52/35/433755235.db2.gz FTNDIPBJBHFGLN-ROUUACIJSA-N 2 2 301.478 3.183 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421828877 433755248 /nfs/dbraw/zinc/75/52/48/433755248.db2.gz FTNDIPBJBHFGLN-ROUUACIJSA-N 2 2 301.478 3.183 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2nccn21 ZINC000449571127 433756145 /nfs/dbraw/zinc/75/61/45/433756145.db2.gz KQDRUILMOTYICG-WMLDXEAASA-N 2 2 302.466 3.276 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351863927 433759828 /nfs/dbraw/zinc/75/98/28/433759828.db2.gz VSKONQKIKQSUJR-PMPSAXMXSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351863927 433759833 /nfs/dbraw/zinc/75/98/33/433759833.db2.gz VSKONQKIKQSUJR-PMPSAXMXSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877460 433766258 /nfs/dbraw/zinc/76/62/58/433766258.db2.gz PMWXDGFXZOYFRO-UZLBHIALSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877460 433766269 /nfs/dbraw/zinc/76/62/69/433766269.db2.gz PMWXDGFXZOYFRO-UZLBHIALSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877460 433766277 /nfs/dbraw/zinc/76/62/77/433766277.db2.gz PMWXDGFXZOYFRO-UZLBHIALSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000351877460 433766287 /nfs/dbraw/zinc/76/62/87/433766287.db2.gz PMWXDGFXZOYFRO-UZLBHIALSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CSC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000449108206 433723293 /nfs/dbraw/zinc/72/32/93/433723293.db2.gz SPZNZGKMVYMPMA-SZMVWBNQSA-N 2 2 304.503 3.473 20 0 DGADLP FC1(c2cccc(Cl)c2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000376389824 433725746 /nfs/dbraw/zinc/72/57/46/433725746.db2.gz XRIXFYPPUSLWMH-UHFFFAOYSA-N 2 2 307.800 3.497 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000414657319 433772740 /nfs/dbraw/zinc/77/27/40/433772740.db2.gz OHNIDWWYCXRNQH-FZKQIMNGSA-N 2 2 316.424 3.022 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000414657319 433772751 /nfs/dbraw/zinc/77/27/51/433772751.db2.gz OHNIDWWYCXRNQH-FZKQIMNGSA-N 2 2 316.424 3.022 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362594023 433778813 /nfs/dbraw/zinc/77/88/13/433778813.db2.gz YVUVSBDRHQDQCW-UHFFFAOYSA-N 2 2 305.372 3.349 20 0 DGADLP c1cn(Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)c[nH+]1 ZINC000301898336 433783560 /nfs/dbraw/zinc/78/35/60/433783560.db2.gz WSJUUSPKAJGBLC-UHFFFAOYSA-N 2 2 303.369 3.420 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000430092750 433785305 /nfs/dbraw/zinc/78/53/05/433785305.db2.gz BBVHYQWHRNGMNE-NJAFHUGGSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092750 433785309 /nfs/dbraw/zinc/78/53/09/433785309.db2.gz BBVHYQWHRNGMNE-NJAFHUGGSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430580545 433791847 /nfs/dbraw/zinc/79/18/47/433791847.db2.gz RZIAHWPSWHICOI-SFHVURJKSA-N 2 2 305.466 3.020 20 0 DGADLP CC[C@H](C)[NH2+][C@@H](CNc1cc[nH+]c(C(C)C)n1)c1ccco1 ZINC000343264485 433792326 /nfs/dbraw/zinc/79/23/26/433792326.db2.gz LDIIREWTYGKRME-KBPBESRZSA-N 2 2 302.422 3.734 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430590136 433793383 /nfs/dbraw/zinc/79/33/83/433793383.db2.gz GZAHQTZALKQXNA-WBVHZDCISA-N 2 2 319.493 3.442 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430590136 433793391 /nfs/dbraw/zinc/79/33/91/433793391.db2.gz GZAHQTZALKQXNA-WBVHZDCISA-N 2 2 319.493 3.442 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000351930071 433795947 /nfs/dbraw/zinc/79/59/47/433795947.db2.gz CWRDPIWPMQIJLB-MRXNPFEDSA-N 2 2 318.465 3.330 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000351930071 433795956 /nfs/dbraw/zinc/79/59/56/433795956.db2.gz CWRDPIWPMQIJLB-MRXNPFEDSA-N 2 2 318.465 3.330 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000414713036 433804438 /nfs/dbraw/zinc/80/44/38/433804438.db2.gz VEKAKOZOUARDBK-GOSISDBHSA-N 2 2 304.478 3.137 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000414713036 433804444 /nfs/dbraw/zinc/80/44/44/433804444.db2.gz VEKAKOZOUARDBK-GOSISDBHSA-N 2 2 304.478 3.137 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000414766933 433818398 /nfs/dbraw/zinc/81/83/98/433818398.db2.gz IVGCHQYTTVFCNX-GDBMZVCRSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000414766933 433818405 /nfs/dbraw/zinc/81/84/05/433818405.db2.gz IVGCHQYTTVFCNX-GDBMZVCRSA-N 2 2 306.450 3.042 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+][C@H](C[NH3+])C3CCCCC3)sc2C1 ZINC000414836640 433873676 /nfs/dbraw/zinc/87/36/76/433873676.db2.gz IQQZDFOSTKJKOY-SWLSCSKDSA-N 2 2 307.507 3.265 20 0 DGADLP Fc1ccc(COc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000414846060 433875781 /nfs/dbraw/zinc/87/57/81/433875781.db2.gz MXHSQFMISVPXKA-SFHVURJKSA-N 2 2 314.404 3.246 20 0 DGADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)sc1Br ZINC000414783990 433836077 /nfs/dbraw/zinc/83/60/77/433836077.db2.gz IFKGCXNYGVBUMW-UHFFFAOYSA-N 2 2 303.269 3.132 20 0 DGADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)sc1Br ZINC000414783990 433836085 /nfs/dbraw/zinc/83/60/85/433836085.db2.gz IFKGCXNYGVBUMW-UHFFFAOYSA-N 2 2 303.269 3.132 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000293720698 433840422 /nfs/dbraw/zinc/84/04/22/433840422.db2.gz TXJQNFJFMWVIGF-LJQANCHMSA-N 2 2 323.440 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC4(CCOCC4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000293720698 433840433 /nfs/dbraw/zinc/84/04/33/433840433.db2.gz TXJQNFJFMWVIGF-LJQANCHMSA-N 2 2 323.440 3.263 20 0 DGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC(C)(C)[NH3+] ZINC000414806694 433850486 /nfs/dbraw/zinc/85/04/86/433850486.db2.gz QBVJDPMFCIULOT-UHFFFAOYSA-N 2 2 320.868 3.029 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414813491 433853650 /nfs/dbraw/zinc/85/36/50/433853650.db2.gz MNQMOKQHBIRQFL-KRWDZBQOSA-N 2 2 323.912 3.412 20 0 DGADLP c1cn(-c2csc(C[NH2+]CC[NH2+]C3CCCCCC3)c2)cn1 ZINC000414812897 433855268 /nfs/dbraw/zinc/85/52/68/433855268.db2.gz QBLUZQSQMHIRAM-UHFFFAOYSA-N 2 2 318.490 3.336 20 0 DGADLP CCn1nc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011078 433856145 /nfs/dbraw/zinc/85/61/45/433856145.db2.gz OERYSNDBMUNDBI-HOTGVXAUSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011078 433856155 /nfs/dbraw/zinc/85/61/55/433856155.db2.gz OERYSNDBMUNDBI-HOTGVXAUSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011078 433856165 /nfs/dbraw/zinc/85/61/65/433856165.db2.gz OERYSNDBMUNDBI-HOTGVXAUSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c2ccccc21 ZINC000352011078 433856174 /nfs/dbraw/zinc/85/61/74/433856174.db2.gz OERYSNDBMUNDBI-HOTGVXAUSA-N 2 2 314.477 3.361 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000344329435 433862330 /nfs/dbraw/zinc/86/23/30/433862330.db2.gz MZVQTYQTICVWOS-RCBQFDQVSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000344329435 433862332 /nfs/dbraw/zinc/86/23/32/433862332.db2.gz MZVQTYQTICVWOS-RCBQFDQVSA-N 2 2 308.853 3.484 20 0 DGADLP CCC(CC)[C@@H](CNc1nc[nH+]c(N)c1Cl)[NH+]1CCCC1 ZINC000302810395 433867552 /nfs/dbraw/zinc/86/75/52/433867552.db2.gz YNOIFGMKASSJKO-GFCCVEGCSA-N 2 2 311.861 3.025 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](C)CC3)c2cc1C ZINC000357120867 433872122 /nfs/dbraw/zinc/87/21/22/433872122.db2.gz WIZDIUZIJGWQEB-RHSMWYFYSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](C)CC3)c2cc1C ZINC000357120867 433872129 /nfs/dbraw/zinc/87/21/29/433872129.db2.gz WIZDIUZIJGWQEB-RHSMWYFYSA-N 2 2 315.461 3.136 20 0 DGADLP CCC[NH2+]CC[NH2+]Cc1ccc(Br)cc1SC ZINC000414870022 433897396 /nfs/dbraw/zinc/89/73/96/433897396.db2.gz MAONPHSKCZTSMZ-UHFFFAOYSA-N 2 2 317.296 3.260 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000414876661 433899434 /nfs/dbraw/zinc/89/94/34/433899434.db2.gz DSDCLHRDXTZFKZ-RTBURBONSA-N 2 2 314.404 3.070 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)cc2)cc1 ZINC000414876640 433901112 /nfs/dbraw/zinc/90/11/12/433901112.db2.gz DRHAYBDYNLFZLA-PMACEKPBSA-N 2 2 310.441 3.239 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(F)c2)cc1 ZINC000414891907 433905555 /nfs/dbraw/zinc/90/55/55/433905555.db2.gz IQAPRMQSZVLLMB-ROUUACIJSA-N 2 2 302.368 3.200 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1csc(Cl)c1 ZINC000345282131 433905732 /nfs/dbraw/zinc/90/57/32/433905732.db2.gz YPAGULDVYKKFAS-JSGCOSHPSA-N 2 2 316.898 3.145 20 0 DGADLP C[C@]1(C[NH2+]Cc2c(F)cccc2Br)CCC[NH2+]C1 ZINC000414897941 433906245 /nfs/dbraw/zinc/90/62/45/433906245.db2.gz AHIXPJRBIWDHQB-AWEZNQCLSA-N 2 2 315.230 3.068 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCCc3[nH+]ccn32)[nH+]1 ZINC000362944245 433919267 /nfs/dbraw/zinc/91/92/67/433919267.db2.gz MMJFXEZKWJBEIS-OAHLLOKOSA-N 2 2 321.384 3.098 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)c1ccccc1 ZINC000436262595 433921916 /nfs/dbraw/zinc/92/19/16/433921916.db2.gz QQMQPOXCUICQST-IBGZPJMESA-N 2 2 307.397 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295268 433930906 /nfs/dbraw/zinc/93/09/06/433930906.db2.gz GKLXVXPXSBGWKG-MAAOGQSESA-N 2 2 306.400 3.283 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000436295268 433930913 /nfs/dbraw/zinc/93/09/13/433930913.db2.gz GKLXVXPXSBGWKG-MAAOGQSESA-N 2 2 306.400 3.283 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1C[NH3+] ZINC000422640947 433933476 /nfs/dbraw/zinc/93/34/76/433933476.db2.gz WPQKTQYQKBESNC-UPJWGTAASA-N 2 2 322.403 3.237 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1C[NH3+] ZINC000422640947 433933484 /nfs/dbraw/zinc/93/34/84/433933484.db2.gz WPQKTQYQKBESNC-UPJWGTAASA-N 2 2 322.403 3.237 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414851355 433881519 /nfs/dbraw/zinc/88/15/19/433881519.db2.gz JBCYIUNSVNOIHK-VXGBXAGGSA-N 2 2 307.488 3.349 20 0 DGADLP CCCCCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OC ZINC000414852903 433882844 /nfs/dbraw/zinc/88/28/44/433882844.db2.gz WTLFBEJVLWZTLI-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414854071 433884509 /nfs/dbraw/zinc/88/45/09/433884509.db2.gz UGFUPFXZSLAPPR-LJQANCHMSA-N 2 2 312.461 3.178 20 0 DGADLP COc1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000414865785 433890023 /nfs/dbraw/zinc/89/00/23/433890023.db2.gz MBYXQRFDHBXJMT-MRXNPFEDSA-N 2 2 312.413 3.329 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414861999 433890866 /nfs/dbraw/zinc/89/08/66/433890866.db2.gz XCSYKIIRCADVRQ-UKRRQHHQSA-N 2 2 301.459 3.288 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705622 433942161 /nfs/dbraw/zinc/94/21/61/433942161.db2.gz CLFJHWMCAMYZBR-OALUTQOASA-N 3 2 301.478 3.032 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2Cl)CC[NH2+]1 ZINC000414959002 433942250 /nfs/dbraw/zinc/94/22/50/433942250.db2.gz WVQVGQXOOSHBHE-CABZTGNLSA-N 2 2 317.658 3.333 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414962061 433942486 /nfs/dbraw/zinc/94/24/86/433942486.db2.gz ZNNKOELDBCCLKZ-CABZTGNLSA-N 2 2 303.233 3.232 20 0 DGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377649638 433943218 /nfs/dbraw/zinc/94/32/18/433943218.db2.gz IDRWIHNJQFULBH-ICSRJNTNSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377649638 433943219 /nfs/dbraw/zinc/94/32/19/433943219.db2.gz IDRWIHNJQFULBH-ICSRJNTNSA-N 2 2 321.553 3.305 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295886 433944663 /nfs/dbraw/zinc/94/46/63/433944663.db2.gz XQVPOHGXNJGZAL-OALUTQOASA-N 2 2 304.478 3.474 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295886 433944675 /nfs/dbraw/zinc/94/46/75/433944675.db2.gz XQVPOHGXNJGZAL-OALUTQOASA-N 2 2 304.478 3.474 20 0 DGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377649642 433945227 /nfs/dbraw/zinc/94/52/27/433945227.db2.gz IDRWIHNJQFULBH-UYAOXDASSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377649642 433945240 /nfs/dbraw/zinc/94/52/40/433945240.db2.gz IDRWIHNJQFULBH-UYAOXDASSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422718173 433946278 /nfs/dbraw/zinc/94/62/78/433946278.db2.gz PGAZXEHAJPBRIM-NQERJWCQSA-N 2 2 321.468 3.168 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422714327 433946470 /nfs/dbraw/zinc/94/64/70/433946470.db2.gz ILDXCCGDTMMUGJ-ROUUACIJSA-N 2 2 317.477 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(COc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000422726742 433951897 /nfs/dbraw/zinc/95/18/97/433951897.db2.gz AHOICOCBWXHAAG-OXJNMPFZSA-N 2 2 310.441 3.496 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]([NH3+])CC)cc1OCC ZINC000414982151 433952523 /nfs/dbraw/zinc/95/25/23/433952523.db2.gz RMCWZULJBZZAIH-ZDUSSCGKSA-N 2 2 314.857 3.354 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000422729588 433954248 /nfs/dbraw/zinc/95/42/48/433954248.db2.gz CAJITPFIEGXEBQ-UMGGQSCQSA-N 3 2 317.521 3.045 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414984583 433958770 /nfs/dbraw/zinc/95/87/70/433958770.db2.gz VCHIPYMJGDURPF-HNNXBMFYSA-N 2 2 320.868 3.029 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccncc1F ZINC000340173309 433959662 /nfs/dbraw/zinc/95/96/62/433959662.db2.gz RDFFMTBOCWKZEI-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000422741437 433966294 /nfs/dbraw/zinc/96/62/94/433966294.db2.gz DPKPGQTUQSFYAI-HDMKZQKVSA-N 2 2 323.912 3.311 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743664 433966848 /nfs/dbraw/zinc/96/68/48/433966848.db2.gz IWGNLPDKJNGVAB-FUHIMQAGSA-N 3 2 315.505 3.190 20 0 DGADLP CSc1ccc([C@H](CNc2cc[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000294039994 433972262 /nfs/dbraw/zinc/97/22/62/433972262.db2.gz LQVIOHXPCWHYTD-HNNXBMFYSA-N 2 2 302.447 3.222 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000415068213 433972316 /nfs/dbraw/zinc/97/23/16/433972316.db2.gz QRKWTECLDGZUSB-LZQZEXGQSA-N 3 2 307.526 3.137 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)sc2C1 ZINC000415054355 433976698 /nfs/dbraw/zinc/97/66/98/433976698.db2.gz PTEZGFGIAROURO-IIAWOOMASA-N 2 2 319.518 3.232 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)sc2C1 ZINC000415054355 433976706 /nfs/dbraw/zinc/97/67/06/433976706.db2.gz PTEZGFGIAROURO-IIAWOOMASA-N 2 2 319.518 3.232 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH+]2C)CC1 ZINC000285518015 433979148 /nfs/dbraw/zinc/97/91/48/433979148.db2.gz AYWPLHYYLGIPKR-SOAGJPPSSA-N 3 2 315.505 3.113 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH+]2C)CC1 ZINC000285518015 433979157 /nfs/dbraw/zinc/97/91/57/433979157.db2.gz AYWPLHYYLGIPKR-SOAGJPPSSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000285518015 433979165 /nfs/dbraw/zinc/97/91/65/433979165.db2.gz AYWPLHYYLGIPKR-SOAGJPPSSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000285518015 433979173 /nfs/dbraw/zinc/97/91/73/433979173.db2.gz AYWPLHYYLGIPKR-SOAGJPPSSA-N 3 2 315.505 3.113 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422764497 433981132 /nfs/dbraw/zinc/98/11/32/433981132.db2.gz VAIBOTJWUOYBFW-MJGOQNOKSA-N 3 2 320.440 3.469 20 0 DGADLP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422764777 433984523 /nfs/dbraw/zinc/98/45/23/433984523.db2.gz QHNBZJWLSXKPJT-OBJOEFQTSA-N 2 2 316.367 3.203 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000422775232 433987633 /nfs/dbraw/zinc/98/76/33/433987633.db2.gz ATDOQLDGGBDOII-NXHRZFHOSA-N 2 2 304.478 3.099 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422775221 433990054 /nfs/dbraw/zinc/99/00/54/433990054.db2.gz ARRGIOGEXQUIRI-YDZRNGNQSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422700325 433940555 /nfs/dbraw/zinc/94/05/55/433940555.db2.gz GMTGERDCAAMJMG-JKSUJKDBSA-N 3 2 314.477 3.396 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)[nH]c2c1 ZINC000422704991 433940810 /nfs/dbraw/zinc/94/08/10/433940810.db2.gz QTMQFHBXGUQEPR-OAGGEKHMSA-N 3 2 312.461 3.006 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2Cl)CC[NH2+]1 ZINC000414959004 433941047 /nfs/dbraw/zinc/94/10/47/433941047.db2.gz WVQVGQXOOSHBHE-SKDRFNHKSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422793925 434004333 /nfs/dbraw/zinc/00/43/33/434004333.db2.gz XSAZXBKBVHUHRH-KBPBESRZSA-N 3 2 309.885 3.020 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000377827501 434010950 /nfs/dbraw/zinc/01/09/50/434010950.db2.gz XLTFTDCLDKZPHI-INIZCTEOSA-N 2 2 311.429 3.123 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000377827501 434010961 /nfs/dbraw/zinc/01/09/61/434010961.db2.gz XLTFTDCLDKZPHI-INIZCTEOSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422799501 434011965 /nfs/dbraw/zinc/01/19/65/434011965.db2.gz XBDXEXPZZZSUSO-DGCLKSJQSA-N 2 2 302.340 3.205 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCC[N@@H+]1Cc1ccccc1 ZINC000340252040 434015685 /nfs/dbraw/zinc/01/56/85/434015685.db2.gz RWGIHQQUUWAFQG-VBSBHUPXSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCC[N@H+]1Cc1ccccc1 ZINC000340252040 434015697 /nfs/dbraw/zinc/01/56/97/434015697.db2.gz RWGIHQQUUWAFQG-VBSBHUPXSA-N 2 2 316.489 3.180 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802177 434015883 /nfs/dbraw/zinc/01/58/83/434015883.db2.gz BFGJDEMCZBKGNP-IJEWVQPXSA-N 2 2 306.450 3.274 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422815590 434023973 /nfs/dbraw/zinc/02/39/73/434023973.db2.gz CAFYQCROJMGJIH-HAGHYFMRSA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC000396881836 293842981 /nfs/dbraw/zinc/84/29/81/293842981.db2.gz IMKFGATZXJXYLK-GFCCVEGCSA-N 2 2 301.356 3.229 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422825580 434028519 /nfs/dbraw/zinc/02/85/19/434028519.db2.gz JSRMUPIRLASRIW-LYRGGWFBSA-N 2 2 310.388 3.396 20 0 DGADLP Fc1cc2[nH+]ccc(NCCC[NH+]3CCOCC3)c2cc1Cl ZINC000450210000 434033008 /nfs/dbraw/zinc/03/30/08/434033008.db2.gz ZBHCDWOHQBSUSA-UHFFFAOYSA-N 2 2 323.799 3.162 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833380 434036270 /nfs/dbraw/zinc/03/62/70/434036270.db2.gz GPWMQGHDDJOIRK-UNEWFSDZSA-N 2 2 307.869 3.039 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840160 434044890 /nfs/dbraw/zinc/04/48/90/434044890.db2.gz SCXQZBPNHAVDCV-NXHRZFHOSA-N 3 2 321.534 3.210 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840160 434044900 /nfs/dbraw/zinc/04/49/00/434044900.db2.gz SCXQZBPNHAVDCV-NXHRZFHOSA-N 3 2 321.534 3.210 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840925 434045246 /nfs/dbraw/zinc/04/52/46/434045246.db2.gz UVDJEUDRDIHFOA-GTAWCEEGSA-N 3 2 315.505 3.160 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840925 434045254 /nfs/dbraw/zinc/04/52/54/434045254.db2.gz UVDJEUDRDIHFOA-GTAWCEEGSA-N 3 2 315.505 3.160 20 0 DGADLP C[N@@H+]1CC[C@H](NCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340222434 433997917 /nfs/dbraw/zinc/99/79/17/433997917.db2.gz VWBPOMCALWFFSC-HKUYNNGSSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@H](NCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340222434 433997929 /nfs/dbraw/zinc/99/79/29/433997929.db2.gz VWBPOMCALWFFSC-HKUYNNGSSA-N 2 2 324.472 3.145 20 0 DGADLP C/C(=C\c1ccccc1)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353122210 434066010 /nfs/dbraw/zinc/06/60/10/434066010.db2.gz FXNNTJOAAINVFO-LFIBNONCSA-N 2 2 304.397 3.842 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OCC2CC2)c1 ZINC000422868640 434065965 /nfs/dbraw/zinc/06/59/65/434065965.db2.gz VFOBQQBYPQKWOO-AWEZNQCLSA-N 2 2 311.429 3.442 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867929 434068991 /nfs/dbraw/zinc/06/89/91/434068991.db2.gz UEARNZUMRKQZPA-GUYCJALGSA-N 2 2 318.490 3.289 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422874492 434070092 /nfs/dbraw/zinc/07/00/92/434070092.db2.gz AFDJOYZHWUCSAQ-KXBFYZLASA-N 2 2 321.424 3.390 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422872218 434072825 /nfs/dbraw/zinc/07/28/25/434072825.db2.gz GENSZYCTZQEXBF-KGLIPLIRSA-N 2 2 314.376 3.046 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000422885822 434084022 /nfs/dbraw/zinc/08/40/22/434084022.db2.gz HGPQEZCAWXQWSJ-UWJYYQICSA-N 2 2 324.468 3.253 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422887236 434086845 /nfs/dbraw/zinc/08/68/45/434086845.db2.gz APBGARNSNVJHAW-ROUUACIJSA-N 2 2 316.493 3.082 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422892327 434087158 /nfs/dbraw/zinc/08/71/58/434087158.db2.gz MTACCUIRZQKCFN-NCXUSEDFSA-N 3 2 307.526 3.007 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000422887068 434087687 /nfs/dbraw/zinc/08/76/87/434087687.db2.gz YEYWUHSNIKEKAN-CABCVRRESA-N 2 2 316.367 3.248 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422886932 434088859 /nfs/dbraw/zinc/08/88/59/434088859.db2.gz AARFDGCELSZKGR-OFQRWUPVSA-N 2 2 306.450 3.275 20 0 DGADLP CC(C)c1csc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000422895627 434090302 /nfs/dbraw/zinc/09/03/02/434090302.db2.gz WJTMWVVVDQKIGR-UKRRQHHQSA-N 2 2 303.475 3.315 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422895538 434091118 /nfs/dbraw/zinc/09/11/18/434091118.db2.gz FZVNTLBYUJAAGN-PXNSSMCTSA-N 3 2 315.505 3.067 20 0 DGADLP c1cn(CCC[NH2+]Cc2ccccc2OCc2ccncc2)c[nH+]1 ZINC000340368505 434093698 /nfs/dbraw/zinc/09/36/98/434093698.db2.gz ZXBWDVMPPMTFLV-UHFFFAOYSA-N 2 2 322.412 3.037 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000422900223 434098606 /nfs/dbraw/zinc/09/86/06/434098606.db2.gz JCBRZSCYUFPPKP-CXAGYDPISA-N 2 2 315.392 3.243 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422899475 434098849 /nfs/dbraw/zinc/09/88/49/434098849.db2.gz OPYJAQHVSCCDHG-VQTJNVASSA-N 3 2 315.505 3.209 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840929 434047700 /nfs/dbraw/zinc/04/77/00/434047700.db2.gz UVDJEUDRDIHFOA-RNQOJCNYSA-N 3 2 315.505 3.160 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840929 434047705 /nfs/dbraw/zinc/04/77/05/434047705.db2.gz UVDJEUDRDIHFOA-RNQOJCNYSA-N 3 2 315.505 3.160 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n[nH]1 ZINC000340307357 434049107 /nfs/dbraw/zinc/04/91/07/434049107.db2.gz WHWOSAUDASFVNZ-FNHZYXHNSA-N 2 2 312.461 3.074 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n[nH]1 ZINC000340307357 434049120 /nfs/dbraw/zinc/04/91/20/434049120.db2.gz WHWOSAUDASFVNZ-FNHZYXHNSA-N 2 2 312.461 3.074 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340310059 434050456 /nfs/dbraw/zinc/05/04/56/434050456.db2.gz JCICQIZVRGNICV-PKOBYXMFSA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340310059 434050466 /nfs/dbraw/zinc/05/04/66/434050466.db2.gz JCICQIZVRGNICV-PKOBYXMFSA-N 2 2 324.472 3.073 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852772 434057530 /nfs/dbraw/zinc/05/75/30/434057530.db2.gz BHHAEZAHFQKGBN-MBOZVWFJSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852772 434057536 /nfs/dbraw/zinc/05/75/36/434057536.db2.gz BHHAEZAHFQKGBN-MBOZVWFJSA-N 3 2 315.505 3.291 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422910782 434104553 /nfs/dbraw/zinc/10/45/53/434104553.db2.gz JFCYAVMEXZPKNW-OAHLLOKOSA-N 3 2 312.461 3.185 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422910782 434104562 /nfs/dbraw/zinc/10/45/62/434104562.db2.gz JFCYAVMEXZPKNW-OAHLLOKOSA-N 3 2 312.461 3.185 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397962 434106126 /nfs/dbraw/zinc/10/61/26/434106126.db2.gz WFKHKRYTEBJFJT-ZWKOTPCHSA-N 2 2 318.461 3.388 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397962 434106131 /nfs/dbraw/zinc/10/61/31/434106131.db2.gz WFKHKRYTEBJFJT-ZWKOTPCHSA-N 2 2 318.461 3.388 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397433 434106377 /nfs/dbraw/zinc/10/63/77/434106377.db2.gz ZWUVFHCTSUGXGP-UYAOXDASSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397433 434106383 /nfs/dbraw/zinc/10/63/83/434106383.db2.gz ZWUVFHCTSUGXGP-UYAOXDASSA-N 2 2 320.440 3.259 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000422925332 434113590 /nfs/dbraw/zinc/11/35/90/434113590.db2.gz BKTRTWIOQAZPEI-MJVIPROJSA-N 2 2 302.340 3.376 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000422932103 434118124 /nfs/dbraw/zinc/11/81/24/434118124.db2.gz YUUWDDXZDDDXNN-LPHOPBHVSA-N 2 2 314.404 3.417 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422930033 434119448 /nfs/dbraw/zinc/11/94/48/434119448.db2.gz AUBKFTRVJOSSMJ-MPGHIAIKSA-N 2 2 317.477 3.291 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1O ZINC000353423932 434122462 /nfs/dbraw/zinc/12/24/62/434122462.db2.gz FWHWLDJGZMHOLQ-CQSZACIVSA-N 2 2 323.396 3.437 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000502484273 294166669 /nfs/dbraw/zinc/16/66/69/294166669.db2.gz XLSCDFDNKWIYOD-IKGGRYGDSA-N 2 2 306.498 3.280 20 0 DGADLP CC(C)c1cc(NCC2(C)CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000503317227 294191103 /nfs/dbraw/zinc/19/11/03/294191103.db2.gz NNJSZWRHULABMS-UHFFFAOYSA-N 2 2 304.482 3.289 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503942000 294205950 /nfs/dbraw/zinc/20/59/50/294205950.db2.gz OOPUQKUSSNSRPM-MXASKKJJSA-N 2 2 324.415 3.257 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503942000 294205951 /nfs/dbraw/zinc/20/59/51/294205951.db2.gz OOPUQKUSSNSRPM-MXASKKJJSA-N 2 2 324.415 3.257 20 0 DGADLP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709566 294330793 /nfs/dbraw/zinc/33/07/93/294330793.db2.gz HYLUOOQBPWTTCJ-ICSRJNTNSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709566 294330795 /nfs/dbraw/zinc/33/07/95/294330795.db2.gz HYLUOOQBPWTTCJ-ICSRJNTNSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709566 294330797 /nfs/dbraw/zinc/33/07/97/294330797.db2.gz HYLUOOQBPWTTCJ-ICSRJNTNSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709566 294330798 /nfs/dbraw/zinc/33/07/98/294330798.db2.gz HYLUOOQBPWTTCJ-ICSRJNTNSA-N 3 2 317.521 3.219 20 0 DGADLP CC[C@H]1CC[C@H](C)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965780 294336719 /nfs/dbraw/zinc/33/67/19/294336719.db2.gz NFBFMSVMAVARPH-OALUTQOASA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@H]1CC[C@H](C)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965780 294336722 /nfs/dbraw/zinc/33/67/22/294336722.db2.gz NFBFMSVMAVARPH-OALUTQOASA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965782 294336734 /nfs/dbraw/zinc/33/67/34/294336734.db2.gz NFBFMSVMAVARPH-RTBURBONSA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000508965782 294336738 /nfs/dbraw/zinc/33/67/38/294336738.db2.gz NFBFMSVMAVARPH-RTBURBONSA-N 2 2 315.505 3.462 20 0 DGADLP C[C@H]1CCCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509148398 294341026 /nfs/dbraw/zinc/34/10/26/294341026.db2.gz BCWFZWXEDDHEQJ-IBGZPJMESA-N 2 2 315.505 3.321 20 0 DGADLP C[C@H]1CCCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509148398 294341030 /nfs/dbraw/zinc/34/10/30/294341030.db2.gz BCWFZWXEDDHEQJ-IBGZPJMESA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509295491 294346043 /nfs/dbraw/zinc/34/60/43/294346043.db2.gz VVHZSNPXQGPNNK-IBGZPJMESA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509295491 294346044 /nfs/dbraw/zinc/34/60/44/294346044.db2.gz VVHZSNPXQGPNNK-IBGZPJMESA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509295492 294346275 /nfs/dbraw/zinc/34/62/75/294346275.db2.gz VVHZSNPXQGPNNK-LJQANCHMSA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509295492 294346279 /nfs/dbraw/zinc/34/62/79/294346279.db2.gz VVHZSNPXQGPNNK-LJQANCHMSA-N 2 2 315.505 3.321 20 0 DGADLP CCC(C)(C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509388676 294349503 /nfs/dbraw/zinc/34/95/03/294349503.db2.gz PTQOPAFZTUQCHB-UHFFFAOYSA-N 2 2 303.494 3.319 20 0 DGADLP CCC(C)(C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509388676 294349504 /nfs/dbraw/zinc/34/95/04/294349504.db2.gz PTQOPAFZTUQCHB-UHFFFAOYSA-N 2 2 303.494 3.319 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000340447717 434136909 /nfs/dbraw/zinc/13/69/09/434136909.db2.gz FBMHBTAVPSHGDX-DAYGRLMNSA-N 2 2 311.429 3.273 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000340447717 434136920 /nfs/dbraw/zinc/13/69/20/434136920.db2.gz FBMHBTAVPSHGDX-DAYGRLMNSA-N 2 2 311.429 3.273 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422973832 434150786 /nfs/dbraw/zinc/15/07/86/434150786.db2.gz PQGFNUJXDQJZSO-QZTJIDSGSA-N 2 2 311.429 3.495 20 0 DGADLP C(=C\c1ccccc1)\CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450409907 434158337 /nfs/dbraw/zinc/15/83/37/434158337.db2.gz UZETVTNTPDYAEE-WVPUOPKMSA-N 2 2 314.473 3.134 20 0 DGADLP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450409907 434158350 /nfs/dbraw/zinc/15/83/50/434158350.db2.gz UZETVTNTPDYAEE-WVPUOPKMSA-N 2 2 314.473 3.134 20 0 DGADLP CCc1ccc([C@H](COC)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000423003020 434162803 /nfs/dbraw/zinc/16/28/03/434162803.db2.gz GSCSKZHOEQVOGW-INMHGKMJSA-N 2 2 308.466 3.430 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423100376 434220136 /nfs/dbraw/zinc/22/01/36/434220136.db2.gz BOGMHNPSWJYDMS-OLMNPRSZSA-N 2 2 324.896 3.436 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423016167 434168557 /nfs/dbraw/zinc/16/85/57/434168557.db2.gz MBTWDVQOSPAKQK-SQNIBIBYSA-N 2 2 318.367 3.387 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000295050709 434169908 /nfs/dbraw/zinc/16/99/08/434169908.db2.gz FRAAHYFWVSRFJW-NXYGQSRBSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000295050709 434169917 /nfs/dbraw/zinc/16/99/17/434169917.db2.gz FRAAHYFWVSRFJW-NXYGQSRBSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@H](CCO)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000295070792 434176238 /nfs/dbraw/zinc/17/62/38/434176238.db2.gz HHNPTWFLZYJYCG-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C)[C@@H](C)C3)sc2C1 ZINC000346183522 434180182 /nfs/dbraw/zinc/18/01/82/434180182.db2.gz WIGPWXNHYLXSHF-KGLIPLIRSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C)[C@@H](C)C3)sc2C1 ZINC000346183522 434180194 /nfs/dbraw/zinc/18/01/94/434180194.db2.gz WIGPWXNHYLXSHF-KGLIPLIRSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)sc2C1 ZINC000346183522 434180205 /nfs/dbraw/zinc/18/02/05/434180205.db2.gz WIGPWXNHYLXSHF-KGLIPLIRSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C)[C@@H](C)C3)sc2C1 ZINC000346183522 434180211 /nfs/dbraw/zinc/18/02/11/434180211.db2.gz WIGPWXNHYLXSHF-KGLIPLIRSA-N 2 2 307.507 3.388 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2cn3c(cccc3C)[nH+]2)c1C ZINC000295099714 434198601 /nfs/dbraw/zinc/19/86/01/434198601.db2.gz GFOFNGCMBJPBQL-UHFFFAOYSA-N 2 2 324.428 3.295 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423066403 434201398 /nfs/dbraw/zinc/20/13/98/434201398.db2.gz WVPSRRYHJNRSTI-SLFFLAALSA-N 3 2 315.505 3.147 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423066403 434201409 /nfs/dbraw/zinc/20/14/09/434201409.db2.gz WVPSRRYHJNRSTI-SLFFLAALSA-N 3 2 315.505 3.147 20 0 DGADLP Cc1ccccc1CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000295105866 434204726 /nfs/dbraw/zinc/20/47/26/434204726.db2.gz LAWCTWMSKBLRGD-UHFFFAOYSA-N 2 2 306.413 3.250 20 0 DGADLP Cc1ccccc1CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000295105866 434204738 /nfs/dbraw/zinc/20/47/38/434204738.db2.gz LAWCTWMSKBLRGD-UHFFFAOYSA-N 2 2 306.413 3.250 20 0 DGADLP CC(C)(C[NH2+][C@H](c1ccccc1)c1cncnc1)C[NH+]1CCCC1 ZINC000357861277 434220995 /nfs/dbraw/zinc/22/09/95/434220995.db2.gz XZQOXFOPWGDOEU-LJQANCHMSA-N 2 2 324.472 3.278 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000437076800 434211278 /nfs/dbraw/zinc/21/12/78/434211278.db2.gz POHUPZKEIODCQW-YJBOKZPZSA-N 2 2 301.478 3.104 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000437076800 434211286 /nfs/dbraw/zinc/21/12/86/434211286.db2.gz POHUPZKEIODCQW-YJBOKZPZSA-N 2 2 301.478 3.104 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423089838 434212415 /nfs/dbraw/zinc/21/24/15/434212415.db2.gz TVMNQWMSLUOKHF-IEBWSBKVSA-N 2 2 316.489 3.082 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423090502 434213167 /nfs/dbraw/zinc/21/31/67/434213167.db2.gz XVCPNMNZNUPYQU-TVFCKZIOSA-N 3 2 307.526 3.007 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423090502 434213176 /nfs/dbraw/zinc/21/31/76/434213176.db2.gz XVCPNMNZNUPYQU-TVFCKZIOSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357759103 434166867 /nfs/dbraw/zinc/16/68/67/434166867.db2.gz UFYWKKMEFFYZCD-INIZCTEOSA-N 2 2 320.440 3.442 20 0 DGADLP COc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423012121 434167968 /nfs/dbraw/zinc/16/79/68/434167968.db2.gz CLZJBFUBAVVGGL-PKOBYXMFSA-N 2 2 314.404 3.417 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423138074 434243090 /nfs/dbraw/zinc/24/30/90/434243090.db2.gz RZCMRVXIWOSZHP-GXFFZTMASA-N 2 2 302.340 3.047 20 0 DGADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000346258719 434246502 /nfs/dbraw/zinc/24/65/02/434246502.db2.gz UVHQATXTYVMVBQ-UHFFFAOYSA-N 2 2 312.457 3.066 20 0 DGADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000346258719 434246511 /nfs/dbraw/zinc/24/65/11/434246511.db2.gz UVHQATXTYVMVBQ-UHFFFAOYSA-N 2 2 312.457 3.066 20 0 DGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(C)o1 ZINC000353618898 434276070 /nfs/dbraw/zinc/27/60/70/434276070.db2.gz CHFFMVHFVFIENK-UHFFFAOYSA-N 2 2 302.418 3.373 20 0 DGADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423149586 434248481 /nfs/dbraw/zinc/24/84/81/434248481.db2.gz XVIMDCWCWSLRIF-CJNGLKHVSA-N 3 2 318.852 3.133 20 0 DGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(C)o1 ZINC000353618898 434276079 /nfs/dbraw/zinc/27/60/79/434276079.db2.gz CHFFMVHFVFIENK-UHFFFAOYSA-N 2 2 302.418 3.373 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](C)Cc4ccccc43)n21 ZINC000353588053 434250390 /nfs/dbraw/zinc/25/03/90/434250390.db2.gz KVQISUOUHPNEFB-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](C)Cc4ccccc43)n21 ZINC000353588053 434250402 /nfs/dbraw/zinc/25/04/02/434250402.db2.gz KVQISUOUHPNEFB-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP CC1CC[NH+](CC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC1 ZINC000357926277 434252109 /nfs/dbraw/zinc/25/21/09/434252109.db2.gz KERCLCNUWZNQSH-UHFFFAOYSA-N 2 2 323.868 3.072 20 0 DGADLP C[C@H]([NH2+]C/C=C/c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423158021 434252706 /nfs/dbraw/zinc/25/27/06/434252706.db2.gz NOFGNEWOXAMEJE-PCFFYYQISA-N 2 2 309.251 3.192 20 0 DGADLP CC(C)c1nc(NC[C@H](c2ccccc2Cl)[NH+](C)C)cc[nH+]1 ZINC000346611662 434255412 /nfs/dbraw/zinc/25/54/12/434255412.db2.gz ONRRUJVHWPAJHN-OAHLLOKOSA-N 2 2 318.852 3.968 20 0 DGADLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]cn1)c1ccccc1Cl ZINC000346624790 434255911 /nfs/dbraw/zinc/25/59/11/434255911.db2.gz IHOXQNGJVHIOIR-MRXNPFEDSA-N 2 2 318.852 3.933 20 0 DGADLP CCn1cncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654257 434259971 /nfs/dbraw/zinc/25/99/71/434259971.db2.gz HWFYMPAGMPMTJB-AEFFLSMTSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654257 434259983 /nfs/dbraw/zinc/25/99/83/434259983.db2.gz HWFYMPAGMPMTJB-AEFFLSMTSA-N 2 2 312.461 3.046 20 0 DGADLP CSc1cccc([C@@H]([NH2+]CC[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423177056 434267217 /nfs/dbraw/zinc/26/72/17/434267217.db2.gz DPFPPKAYXBVHCK-MRXNPFEDSA-N 2 2 308.397 3.324 20 0 DGADLP FC(F)(F)Oc1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423187607 434272923 /nfs/dbraw/zinc/27/29/23/434272923.db2.gz KXNOWNUOGXGDOC-HIFRSBDPSA-N 2 2 314.351 3.378 20 0 DGADLP C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423106112 434222904 /nfs/dbraw/zinc/22/29/04/434222904.db2.gz OHVQJVLBZAROGK-KMUNFCNLSA-N 2 2 324.266 3.025 20 0 DGADLP C[C@@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423106117 434224284 /nfs/dbraw/zinc/22/42/84/434224284.db2.gz OHVQJVLBZAROGK-ONERCXAPSA-N 2 2 324.266 3.025 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)ccc2n1C1CC1 ZINC000423116274 434227279 /nfs/dbraw/zinc/22/72/79/434227279.db2.gz PDDSREHKJNLXLH-GUYCJALGSA-N 2 2 312.461 3.021 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000295153016 434232335 /nfs/dbraw/zinc/23/23/35/434232335.db2.gz JTNGPHRNAZSYRZ-QZTJIDSGSA-N 2 2 302.462 3.289 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423132289 434237852 /nfs/dbraw/zinc/23/78/52/434237852.db2.gz IXUPALSXXNGDIL-APPDUMDISA-N 2 2 308.347 3.152 20 0 DGADLP CCOC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002559 434279093 /nfs/dbraw/zinc/27/90/93/434279093.db2.gz GNTYRWJRBKPWMX-VQIMIIECSA-N 2 2 304.478 3.084 20 0 DGADLP CCOC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002559 434279099 /nfs/dbraw/zinc/27/90/99/434279099.db2.gz GNTYRWJRBKPWMX-VQIMIIECSA-N 2 2 304.478 3.084 20 0 DGADLP c1ccc(C([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000325858167 434279342 /nfs/dbraw/zinc/27/93/42/434279342.db2.gz XGRUWQVVNMIORY-VQTJNVASSA-N 2 2 322.452 3.229 20 0 DGADLP c1ccc(C([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc2)cc1 ZINC000325858167 434279347 /nfs/dbraw/zinc/27/93/47/434279347.db2.gz XGRUWQVVNMIORY-VQTJNVASSA-N 2 2 322.452 3.229 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358004158 434281723 /nfs/dbraw/zinc/28/17/23/434281723.db2.gz KRYCIDJEAHFWSO-FXAWDEMLSA-N 2 2 318.505 3.474 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358004158 434281731 /nfs/dbraw/zinc/28/17/31/434281731.db2.gz KRYCIDJEAHFWSO-FXAWDEMLSA-N 2 2 318.505 3.474 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000358010419 434286642 /nfs/dbraw/zinc/28/66/42/434286642.db2.gz XFZPNYWKPDBSTO-GDBMZVCRSA-N 2 2 318.461 3.371 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000358010419 434286650 /nfs/dbraw/zinc/28/66/50/434286650.db2.gz XFZPNYWKPDBSTO-GDBMZVCRSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423219423 434288979 /nfs/dbraw/zinc/28/89/79/434288979.db2.gz WPNMLTAOZOAGHJ-ZIAGYGMSSA-N 2 2 301.459 3.460 20 0 DGADLP C[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000348260952 434290642 /nfs/dbraw/zinc/29/06/42/434290642.db2.gz FPCAQVJUXSEJKR-BDXSIMOUSA-N 2 2 305.466 3.361 20 0 DGADLP C[C@@H]1CC[N@H+](CCO[C@H]2CCCC[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000348260952 434290646 /nfs/dbraw/zinc/29/06/46/434290646.db2.gz FPCAQVJUXSEJKR-BDXSIMOUSA-N 2 2 305.466 3.361 20 0 DGADLP C[C@H]([NH3+])CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423223391 434295500 /nfs/dbraw/zinc/29/55/00/434295500.db2.gz GISNEBDHMQIURS-NHYWBVRUSA-N 2 2 323.234 3.458 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000358028666 434295881 /nfs/dbraw/zinc/29/58/81/434295881.db2.gz XOFAGLXXUHLMHH-LJQANCHMSA-N 2 2 323.440 3.050 20 0 DGADLP C[C@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589634 434296494 /nfs/dbraw/zinc/29/64/94/434296494.db2.gz KVBKTLMUVWNLSS-HZPDHXFCSA-N 2 2 320.452 3.114 20 0 DGADLP C[C@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589634 434296506 /nfs/dbraw/zinc/29/65/06/434296506.db2.gz KVBKTLMUVWNLSS-HZPDHXFCSA-N 2 2 320.452 3.114 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)o2)cs1 ZINC000358030502 434296740 /nfs/dbraw/zinc/29/67/40/434296740.db2.gz ZTMUZTMHVFBSCH-BXUZGUMPSA-N 2 2 305.447 3.141 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)o2)cs1 ZINC000358030502 434296746 /nfs/dbraw/zinc/29/67/46/434296746.db2.gz ZTMUZTMHVFBSCH-BXUZGUMPSA-N 2 2 305.447 3.141 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000348387621 434296876 /nfs/dbraw/zinc/29/68/76/434296876.db2.gz ZFQWPRVGKCBKPP-MANSERQUSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000348387621 434296887 /nfs/dbraw/zinc/29/68/87/434296887.db2.gz ZFQWPRVGKCBKPP-MANSERQUSA-N 2 2 316.489 3.036 20 0 DGADLP CCc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC000423229656 434297623 /nfs/dbraw/zinc/29/76/23/434297623.db2.gz HMXMSFFSKYVUET-CYBMUJFWSA-N 2 2 316.474 3.288 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423231906 434299430 /nfs/dbraw/zinc/29/94/30/434299430.db2.gz HKEMXMWPHXGVHS-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645751 434299872 /nfs/dbraw/zinc/29/98/72/434299872.db2.gz BWLOBEOSDSWXRL-ZBFHGGJFSA-N 2 2 323.506 3.301 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645751 434299898 /nfs/dbraw/zinc/29/98/98/434299898.db2.gz BWLOBEOSDSWXRL-ZBFHGGJFSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645751 434299904 /nfs/dbraw/zinc/29/99/04/434299904.db2.gz BWLOBEOSDSWXRL-ZBFHGGJFSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645751 434299913 /nfs/dbraw/zinc/29/99/13/434299913.db2.gz BWLOBEOSDSWXRL-ZBFHGGJFSA-N 2 2 323.506 3.301 20 0 DGADLP C[N@H+](CCOc1c(Cl)cccc1Cl)C1(C[NH3+])CCC1 ZINC000385154282 434299985 /nfs/dbraw/zinc/29/99/85/434299985.db2.gz JIPUHWKZEQJXRA-UHFFFAOYSA-N 2 2 303.233 3.185 20 0 DGADLP C[N@@H+](CCOc1c(Cl)cccc1Cl)C1(C[NH3+])CCC1 ZINC000385154282 434299994 /nfs/dbraw/zinc/29/99/94/434299994.db2.gz JIPUHWKZEQJXRA-UHFFFAOYSA-N 2 2 303.233 3.185 20 0 DGADLP Cc1cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cs1 ZINC000423229483 434300490 /nfs/dbraw/zinc/30/04/90/434300490.db2.gz HEQHXYUWTZNUSG-ZDUSSCGKSA-N 2 2 302.447 3.034 20 0 DGADLP CC(C)[C@@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000516925910 294640165 /nfs/dbraw/zinc/64/01/65/294640165.db2.gz MWTFIBICFZEUJS-NVXWUHKLSA-N 2 2 320.481 3.301 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000423248400 434308148 /nfs/dbraw/zinc/30/81/48/434308148.db2.gz RRFMFPUPHBNWOA-QZTJIDSGSA-N 2 2 312.461 3.211 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000423244851 434309651 /nfs/dbraw/zinc/30/96/51/434309651.db2.gz ODJPTAMQIYNMFF-IAGOWNOFSA-N 2 2 314.429 3.445 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000423244710 434311184 /nfs/dbraw/zinc/31/11/84/434311184.db2.gz NWZHJHONJNSQBZ-DLBZAZTESA-N 2 2 312.413 3.199 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000386835049 434312834 /nfs/dbraw/zinc/31/28/34/434312834.db2.gz ILZPPBLOIWDIGO-INIZCTEOSA-N 2 2 300.421 3.478 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000386835049 434312847 /nfs/dbraw/zinc/31/28/47/434312847.db2.gz ILZPPBLOIWDIGO-INIZCTEOSA-N 2 2 300.421 3.478 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccc(F)cc2)cc1 ZINC000423279762 434333986 /nfs/dbraw/zinc/33/39/86/434333986.db2.gz SIGCVKDJNXBXOU-RTBURBONSA-N 2 2 316.420 3.497 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423249045 434315615 /nfs/dbraw/zinc/31/56/15/434315615.db2.gz ODPXMOQOKNDGRC-CGTJXYLNSA-N 2 2 318.461 3.178 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423253252 434316066 /nfs/dbraw/zinc/31/60/66/434316066.db2.gz YWAMPPAQFBXFLG-BEFAXECRSA-N 2 2 323.440 3.164 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258296 434319521 /nfs/dbraw/zinc/31/95/21/434319521.db2.gz BFZHBXUULBWKTG-WBMJQRKESA-N 2 2 324.440 3.401 20 0 DGADLP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)c1[nH+]ccn1C ZINC000387308709 434323786 /nfs/dbraw/zinc/32/37/86/434323786.db2.gz BGADRAKGLDYFFD-INIZCTEOSA-N 2 2 312.461 3.125 20 0 DGADLP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1[nH+]ccn1C ZINC000387308709 434323796 /nfs/dbraw/zinc/32/37/96/434323796.db2.gz BGADRAKGLDYFFD-INIZCTEOSA-N 2 2 312.461 3.125 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ncc(C)cn1 ZINC000340728892 434328410 /nfs/dbraw/zinc/32/84/10/434328410.db2.gz XBMMMSRWRJQVKX-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ncc(C)cn1 ZINC000340728892 434328417 /nfs/dbraw/zinc/32/84/17/434328417.db2.gz XBMMMSRWRJQVKX-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423332707 434363797 /nfs/dbraw/zinc/36/37/97/434363797.db2.gz RDJMVPUIDGIIIP-IGJMFERPSA-N 2 2 315.280 3.169 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423326130 434364722 /nfs/dbraw/zinc/36/47/22/434364722.db2.gz MFQPMYDXHYLXQM-APWZRJJASA-N 3 2 321.484 3.316 20 0 DGADLP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000423326196 434365124 /nfs/dbraw/zinc/36/51/24/434365124.db2.gz QREVTHOUEAFQOT-QGZVFWFLSA-N 2 2 312.417 3.109 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Br)ccc1F ZINC000423337327 434368844 /nfs/dbraw/zinc/36/88/44/434368844.db2.gz VGLHJDBUEMPTHH-SECBINFHSA-N 2 2 301.203 3.120 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423344005 434373716 /nfs/dbraw/zinc/37/37/16/434373716.db2.gz WPFKGSHBVXSYSD-QGZVFWFLSA-N 2 2 304.434 3.346 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000450734842 434375943 /nfs/dbraw/zinc/37/59/43/434375943.db2.gz DJDDHNWLWIGENO-LZLYRXPVSA-N 2 2 302.462 3.404 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000450734842 434375948 /nfs/dbraw/zinc/37/59/48/434375948.db2.gz DJDDHNWLWIGENO-LZLYRXPVSA-N 2 2 302.462 3.404 20 0 DGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000390913395 434376834 /nfs/dbraw/zinc/37/68/34/434376834.db2.gz QXESEGNRDZRKBF-MRXNPFEDSA-N 2 2 317.433 3.421 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417384509 434378615 /nfs/dbraw/zinc/37/86/15/434378615.db2.gz QKPCOJPBDRMWLF-HNNXBMFYSA-N 2 2 317.477 3.211 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000423357065 434380783 /nfs/dbraw/zinc/38/07/83/434380783.db2.gz LDZCIJGTLVSBTO-SUMWQHHRSA-N 2 2 311.385 3.201 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423363442 434386912 /nfs/dbraw/zinc/38/69/12/434386912.db2.gz IYWFAUHICQULOA-LRDDRELGSA-N 2 2 306.356 3.314 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C ZINC000353746914 434388551 /nfs/dbraw/zinc/38/85/51/434388551.db2.gz LLIHLNMBMZIKBM-YCPHGPKFSA-N 2 2 323.506 3.299 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C ZINC000353746914 434388562 /nfs/dbraw/zinc/38/85/62/434388562.db2.gz LLIHLNMBMZIKBM-YCPHGPKFSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C ZINC000353746914 434388570 /nfs/dbraw/zinc/38/85/70/434388570.db2.gz LLIHLNMBMZIKBM-YCPHGPKFSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C ZINC000353746914 434388583 /nfs/dbraw/zinc/38/85/83/434388583.db2.gz LLIHLNMBMZIKBM-YCPHGPKFSA-N 2 2 323.506 3.299 20 0 DGADLP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544355 434389760 /nfs/dbraw/zinc/38/97/60/434389760.db2.gz IWHHFRVZUTWGDL-CABCVRRESA-N 2 2 319.474 3.449 20 0 DGADLP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544355 434389768 /nfs/dbraw/zinc/38/97/68/434389768.db2.gz IWHHFRVZUTWGDL-CABCVRRESA-N 2 2 319.474 3.449 20 0 DGADLP CSCC1CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000295501487 434390708 /nfs/dbraw/zinc/39/07/08/434390708.db2.gz UBZLAGWSBJYQCA-UHFFFAOYSA-N 2 2 303.475 3.388 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000389236172 434345286 /nfs/dbraw/zinc/34/52/86/434345286.db2.gz JTOHXJXKSGDQHM-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000389236172 434345294 /nfs/dbraw/zinc/34/52/94/434345294.db2.gz JTOHXJXKSGDQHM-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP FC(F)Oc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423298803 434350584 /nfs/dbraw/zinc/35/05/84/434350584.db2.gz AOGQVQMWCVDRIT-KRWDZBQOSA-N 2 2 318.367 3.186 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423300804 434350798 /nfs/dbraw/zinc/35/07/98/434350798.db2.gz FWOQZKMUYYKPBS-SFHVURJKSA-N 2 2 316.832 3.247 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000389855668 434352235 /nfs/dbraw/zinc/35/22/35/434352235.db2.gz ZXQFRCKXEGIIAJ-WCWVYFQPSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000389855668 434352251 /nfs/dbraw/zinc/35/22/51/434352251.db2.gz ZXQFRCKXEGIIAJ-WCWVYFQPSA-N 2 2 302.462 3.053 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423305134 434353392 /nfs/dbraw/zinc/35/33/92/434353392.db2.gz BCVGTEDPGGUJGK-LBPRGKRZSA-N 2 2 304.356 3.278 20 0 DGADLP CSC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423311957 434355304 /nfs/dbraw/zinc/35/53/04/434355304.db2.gz CGWGNSAWVMPUNO-ZIAGYGMSSA-N 2 2 318.408 3.436 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000423311010 434355581 /nfs/dbraw/zinc/35/55/81/434355581.db2.gz BCQLKQBEEVXILI-INIZCTEOSA-N 2 2 314.429 3.366 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423318506 434360094 /nfs/dbraw/zinc/36/00/94/434360094.db2.gz BVBNDMJVBFUBOP-HNNXBMFYSA-N 2 2 304.459 3.104 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2O)C1 ZINC000348691686 434446994 /nfs/dbraw/zinc/44/69/94/434446994.db2.gz CURVJETWHQMAPS-BVBHFADKSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2O)C1 ZINC000348691686 434447003 /nfs/dbraw/zinc/44/70/03/434447003.db2.gz CURVJETWHQMAPS-BVBHFADKSA-N 2 2 302.462 3.105 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(OC)c1 ZINC000423375943 434393566 /nfs/dbraw/zinc/39/35/66/434393566.db2.gz DLIZEKBLJQSFNF-DYVFJYSZSA-N 2 2 306.450 3.133 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751465 434402232 /nfs/dbraw/zinc/40/22/32/434402232.db2.gz PSEAAWJYWRBYPS-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751465 434402239 /nfs/dbraw/zinc/40/22/39/434402239.db2.gz PSEAAWJYWRBYPS-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751465 434402246 /nfs/dbraw/zinc/40/22/46/434402246.db2.gz PSEAAWJYWRBYPS-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751465 434402255 /nfs/dbraw/zinc/40/22/55/434402255.db2.gz PSEAAWJYWRBYPS-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423485554 434449211 /nfs/dbraw/zinc/44/92/11/434449211.db2.gz AWBLVONPBVTCMK-ZYHUDNBSSA-N 2 2 303.233 3.023 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)cn1 ZINC000287585714 434405446 /nfs/dbraw/zinc/40/54/46/434405446.db2.gz HQSWDXDXIUYSMN-KBPBESRZSA-N 2 2 309.429 3.000 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(F)cn1 ZINC000287585714 434405452 /nfs/dbraw/zinc/40/54/52/434405452.db2.gz HQSWDXDXIUYSMN-KBPBESRZSA-N 2 2 309.429 3.000 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423400702 434406468 /nfs/dbraw/zinc/40/64/68/434406468.db2.gz XAFRONSHXSADPE-SUMWQHHRSA-N 2 2 306.450 3.133 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423405667 434406682 /nfs/dbraw/zinc/40/66/82/434406682.db2.gz YGENVFDMQPTNRV-RKVPGOIHSA-N 2 2 317.383 3.309 20 0 DGADLP C[C@@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000438111409 434407937 /nfs/dbraw/zinc/40/79/37/434407937.db2.gz ALKKRMJWIPPZAI-KSSFIOAISA-N 2 2 300.377 3.478 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000438111409 434407949 /nfs/dbraw/zinc/40/79/49/434407949.db2.gz ALKKRMJWIPPZAI-KSSFIOAISA-N 2 2 300.377 3.478 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)CC[N@@H+]1C ZINC000394955207 434409400 /nfs/dbraw/zinc/40/94/00/434409400.db2.gz FZIRBSGYBBVEFB-PWSUYJOCSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)CC[N@H+]1C ZINC000394955207 434409407 /nfs/dbraw/zinc/40/94/07/434409407.db2.gz FZIRBSGYBBVEFB-PWSUYJOCSA-N 2 2 315.230 3.161 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000394976455 434410308 /nfs/dbraw/zinc/41/03/08/434410308.db2.gz PHPKRJCNZQZVJY-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000394976455 434410320 /nfs/dbraw/zinc/41/03/20/434410320.db2.gz PHPKRJCNZQZVJY-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2oc3ccccc3c2C)CCC[NH2+]1 ZINC000423416669 434414354 /nfs/dbraw/zinc/41/43/54/434414354.db2.gz FXYHNLYXEYYNML-KDOFPFPSSA-N 2 2 302.418 3.160 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423416977 434415903 /nfs/dbraw/zinc/41/59/03/434415903.db2.gz DTUVJQZFTSTVSX-SOAMZJECSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423416977 434415913 /nfs/dbraw/zinc/41/59/13/434415913.db2.gz DTUVJQZFTSTVSX-SOAMZJECSA-N 3 2 315.505 3.004 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)CCC[NH2+]1 ZINC000423418972 434417381 /nfs/dbraw/zinc/41/73/81/434417381.db2.gz VKUAWRHGOPFBJZ-IRXDYDNUSA-N 2 2 312.404 3.020 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000423424971 434420258 /nfs/dbraw/zinc/42/02/58/434420258.db2.gz MALIPSMAMXDYHR-IAQYHMDHSA-N 2 2 317.260 3.413 20 0 DGADLP COc1ccc2nc(C[NH2+]C3CC[NH+](C4CC4)CC3)sc2c1 ZINC000353772000 434420845 /nfs/dbraw/zinc/42/08/45/434420845.db2.gz CGRMXZCUHNXKBE-UHFFFAOYSA-N 2 2 317.458 3.021 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000423427233 434421484 /nfs/dbraw/zinc/42/14/84/434421484.db2.gz NNZFVGHLKPETLL-ABAIWWIYSA-N 2 2 317.260 3.413 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCSC1 ZINC000438181293 434430510 /nfs/dbraw/zinc/43/05/10/434430510.db2.gz UXSKYMPVBGSNRZ-AGIUHOORSA-N 2 2 310.429 3.134 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438194183 434434012 /nfs/dbraw/zinc/43/40/12/434434012.db2.gz YUCRACLBXYESIH-MOPGFXCFSA-N 2 2 304.478 3.055 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438194183 434434023 /nfs/dbraw/zinc/43/40/23/434434023.db2.gz YUCRACLBXYESIH-MOPGFXCFSA-N 2 2 304.478 3.055 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190589 434434225 /nfs/dbraw/zinc/43/42/25/434434225.db2.gz OJVWPPPXGZKFIH-APWZRJJASA-N 2 2 302.462 3.308 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000438190589 434434235 /nfs/dbraw/zinc/43/42/35/434434235.db2.gz OJVWPPPXGZKFIH-APWZRJJASA-N 2 2 302.462 3.308 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000397325178 434436263 /nfs/dbraw/zinc/43/62/63/434436263.db2.gz UVVXBOYZBYGMRF-MXWKQRLJSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000397325178 434436276 /nfs/dbraw/zinc/43/62/76/434436276.db2.gz UVVXBOYZBYGMRF-MXWKQRLJSA-N 2 2 317.296 3.316 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397379614 434438644 /nfs/dbraw/zinc/43/86/44/434438644.db2.gz FLZYBPCDMDBOLF-OAGGEKHMSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397379614 434438650 /nfs/dbraw/zinc/43/86/50/434438650.db2.gz FLZYBPCDMDBOLF-OAGGEKHMSA-N 2 2 317.477 3.054 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000397791395 434441586 /nfs/dbraw/zinc/44/15/86/434441586.db2.gz RXEOLZBAKKUUON-AWEZNQCLSA-N 2 2 309.251 3.120 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2cc(Cl)ccc2o1 ZINC000423497302 434459203 /nfs/dbraw/zinc/45/92/03/434459203.db2.gz YPTMHCCSBVBDDP-RISCZKNCSA-N 2 2 308.809 3.115 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423508261 434463295 /nfs/dbraw/zinc/46/32/95/434463295.db2.gz HWTNXEYHHZGRER-WFASDCNBSA-N 2 2 317.260 3.413 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000423512472 434463816 /nfs/dbraw/zinc/46/38/16/434463816.db2.gz UQWPQSBPFIYHRZ-YVEFUNNKSA-N 2 2 317.408 3.142 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000423512469 434467351 /nfs/dbraw/zinc/46/73/51/434467351.db2.gz UQWPQSBPFIYHRZ-PXAZEXFGSA-N 2 2 317.408 3.142 20 0 DGADLP CCSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000360001692 434468393 /nfs/dbraw/zinc/46/83/93/434468393.db2.gz WHWBOVWNQGDIDV-NVXWUHKLSA-N 2 2 307.507 3.025 20 0 DGADLP CCSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000360001692 434468400 /nfs/dbraw/zinc/46/84/00/434468400.db2.gz WHWBOVWNQGDIDV-NVXWUHKLSA-N 2 2 307.507 3.025 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000295994381 434470219 /nfs/dbraw/zinc/47/02/19/434470219.db2.gz NXFUVMJTDJQKND-XJKSGUPXSA-N 2 2 309.417 3.227 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(SC2CCCC2)cc1 ZINC000423516195 434473021 /nfs/dbraw/zinc/47/30/21/434473021.db2.gz GHPPFGOWDIIRHZ-ZBFHGGJFSA-N 2 2 320.502 3.360 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423522182 434477447 /nfs/dbraw/zinc/47/74/47/434477447.db2.gz RJNCDYKNIHDHCM-CMPLNLGQSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423549558 434485175 /nfs/dbraw/zinc/48/51/75/434485175.db2.gz HSGUAWVSRNALDF-DGCLKSJQSA-N 2 2 302.340 3.378 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000400515321 434485986 /nfs/dbraw/zinc/48/59/86/434485986.db2.gz BRPISVWDURCJSM-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000400515321 434485996 /nfs/dbraw/zinc/48/59/96/434485996.db2.gz BRPISVWDURCJSM-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423573693 434488386 /nfs/dbraw/zinc/48/83/86/434488386.db2.gz ZJSGOUSLLZSKBM-JQWIXIFHSA-N 2 2 315.230 3.381 20 0 DGADLP Cc1cc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)ccc1F ZINC000423556084 434489369 /nfs/dbraw/zinc/48/93/69/434489369.db2.gz MJWHATRZUVUFCX-LJQANCHMSA-N 2 2 313.420 3.350 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423567849 434489879 /nfs/dbraw/zinc/48/98/79/434489879.db2.gz VBPCVEPGDMRCJL-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400736809 434490880 /nfs/dbraw/zinc/49/08/80/434490880.db2.gz RWIFHQJSPSCLRX-YSIASYRMSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400736809 434490888 /nfs/dbraw/zinc/49/08/88/434490888.db2.gz RWIFHQJSPSCLRX-YSIASYRMSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000400745105 434491230 /nfs/dbraw/zinc/49/12/30/434491230.db2.gz UKECPWJMNIEFEU-JXFKEZNVSA-N 2 2 310.441 3.496 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000360080331 434505721 /nfs/dbraw/zinc/50/57/21/434505721.db2.gz YUPSHEAORLUNHF-DLBZAZTESA-N 2 2 318.461 3.373 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000398210171 434453952 /nfs/dbraw/zinc/45/39/52/434453952.db2.gz PHOOOAUQQQEQNU-QZTJIDSGSA-N 2 2 306.519 3.486 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000398210171 434453964 /nfs/dbraw/zinc/45/39/64/434453964.db2.gz PHOOOAUQQQEQNU-QZTJIDSGSA-N 2 2 306.519 3.486 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CC2([NH+](C)C)CCC2)cc1F ZINC000438336581 434457146 /nfs/dbraw/zinc/45/71/46/434457146.db2.gz LQOFBWPWUGDXSR-AWEZNQCLSA-N 2 2 308.441 3.087 20 0 DGADLP Fc1cccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)c1F ZINC000359973873 434457515 /nfs/dbraw/zinc/45/75/15/434457515.db2.gz DCPJEXZODFZMDK-UHFFFAOYSA-N 2 2 303.312 3.211 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502315 434457935 /nfs/dbraw/zinc/45/79/35/434457935.db2.gz FCBSEMNQUHGMNX-QLIIJSOBSA-N 2 2 310.441 3.108 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)[C@@H]1CC[NH3+] ZINC000404347747 434509732 /nfs/dbraw/zinc/50/97/32/434509732.db2.gz HTUKDKNSVUMRCI-XJKSGUPXSA-N 2 2 316.474 3.154 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)[C@@H]1CC[NH3+] ZINC000404347747 434509742 /nfs/dbraw/zinc/50/97/42/434509742.db2.gz HTUKDKNSVUMRCI-XJKSGUPXSA-N 2 2 316.474 3.154 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404390813 434513752 /nfs/dbraw/zinc/51/37/52/434513752.db2.gz XYOJTIYUICVGTI-MLGOLLRUSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404390813 434513759 /nfs/dbraw/zinc/51/37/59/434513759.db2.gz XYOJTIYUICVGTI-MLGOLLRUSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000341061760 434519576 /nfs/dbraw/zinc/51/95/76/434519576.db2.gz XWZKKYYKKPSVKA-BBWFWOEESA-N 2 2 314.477 3.099 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000341061760 434519584 /nfs/dbraw/zinc/51/95/84/434519584.db2.gz XWZKKYYKKPSVKA-BBWFWOEESA-N 2 2 314.477 3.099 20 0 DGADLP CC(C)n1nccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353913637 434520769 /nfs/dbraw/zinc/52/07/69/434520769.db2.gz JYTOJGIFGCCPNR-UHFFFAOYSA-N 2 2 323.444 3.041 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H](C)C[NH+]3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000341061763 434520888 /nfs/dbraw/zinc/52/08/88/434520888.db2.gz XWZKKYYKKPSVKA-YESZJQIVSA-N 2 2 314.477 3.099 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000353913494 434521613 /nfs/dbraw/zinc/52/16/13/434521613.db2.gz JCRLLAXWZZRODG-HNXFYBAISA-N 2 2 324.509 3.351 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000353913494 434521622 /nfs/dbraw/zinc/52/16/22/434521622.db2.gz JCRLLAXWZZRODG-HNXFYBAISA-N 2 2 324.509 3.351 20 0 DGADLP C[C@@]1([NH2+]CCC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000405974127 434528484 /nfs/dbraw/zinc/52/84/84/434528484.db2.gz WNJFFXAIJYXENE-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP C[C@@]1([NH2+]CCC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000405974127 434528487 /nfs/dbraw/zinc/52/84/87/434528487.db2.gz WNJFFXAIJYXENE-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCCC1 ZINC000360176979 434540834 /nfs/dbraw/zinc/54/08/34/434540834.db2.gz FNHRMKIDWKKEGC-UHFFFAOYSA-N 3 2 312.461 3.084 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947553 434541342 /nfs/dbraw/zinc/54/13/42/434541342.db2.gz ZSRCLJMHKHXEGG-MAUKXSAKSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947553 434541349 /nfs/dbraw/zinc/54/13/49/434541349.db2.gz ZSRCLJMHKHXEGG-MAUKXSAKSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000438907117 434541721 /nfs/dbraw/zinc/54/17/21/434541721.db2.gz KLTPMXMGMRLLDS-SWLSCSKDSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000438907117 434541724 /nfs/dbraw/zinc/54/17/24/434541724.db2.gz KLTPMXMGMRLLDS-SWLSCSKDSA-N 2 2 323.278 3.472 20 0 DGADLP CCn1c[nH+]cc1CNC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000417904277 434547193 /nfs/dbraw/zinc/54/71/93/434547193.db2.gz ULENTWRNDFNRQH-QGZVFWFLSA-N 2 2 304.482 3.037 20 0 DGADLP CCn1c[nH+]cc1CNC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000417904277 434547198 /nfs/dbraw/zinc/54/71/98/434547198.db2.gz ULENTWRNDFNRQH-QGZVFWFLSA-N 2 2 304.482 3.037 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348817507 434506057 /nfs/dbraw/zinc/50/60/57/434506057.db2.gz OXWMNTDVXZBKIO-KRWDZBQOSA-N 2 2 322.493 3.486 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348817507 434506066 /nfs/dbraw/zinc/50/60/66/434506066.db2.gz OXWMNTDVXZBKIO-KRWDZBQOSA-N 2 2 322.493 3.486 20 0 DGADLP C[C@@H](CC1CCOCC1)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000348817507 434506071 /nfs/dbraw/zinc/50/60/71/434506071.db2.gz OXWMNTDVXZBKIO-KRWDZBQOSA-N 2 2 322.493 3.486 20 0 DGADLP C[C@@H](CC1CCOCC1)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000348817507 434506080 /nfs/dbraw/zinc/50/60/80/434506080.db2.gz OXWMNTDVXZBKIO-KRWDZBQOSA-N 2 2 322.493 3.486 20 0 DGADLP COc1ccc(C2([NH2+]Cc3c[nH+]c4c(C)cccn34)CC2)cc1 ZINC000525695403 295027048 /nfs/dbraw/zinc/02/70/48/295027048.db2.gz ZDZYWKVVDZHWQB-UHFFFAOYSA-N 2 2 307.397 3.430 20 0 DGADLP C[C@H]1CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000527283912 295088996 /nfs/dbraw/zinc/08/89/96/295088996.db2.gz PMYDOSBSGOCLTB-QWHCGFSZSA-N 2 2 308.389 3.059 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000439137372 434570728 /nfs/dbraw/zinc/57/07/28/434570728.db2.gz SNHLXSXUFYHBIP-BLLLJJGKSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000439137372 434570733 /nfs/dbraw/zinc/57/07/33/434570733.db2.gz SNHLXSXUFYHBIP-BLLLJJGKSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000527798638 295132218 /nfs/dbraw/zinc/13/22/18/295132218.db2.gz GTSXMXRAUSQUTP-WFASDCNBSA-N 2 2 315.436 3.373 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000527798638 295132220 /nfs/dbraw/zinc/13/22/20/295132220.db2.gz GTSXMXRAUSQUTP-WFASDCNBSA-N 2 2 315.436 3.373 20 0 DGADLP COc1ccc([C@@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)C2CC2)cn1 ZINC000527842001 295139096 /nfs/dbraw/zinc/13/90/96/295139096.db2.gz SXGQTNANSAYPEC-IBGZPJMESA-N 2 2 322.412 3.287 20 0 DGADLP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527915537 295149771 /nfs/dbraw/zinc/14/97/71/295149771.db2.gz OVXGONFDOKKPCA-KRWDZBQOSA-N 2 2 313.445 3.172 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCCC[NH2+]2)ccc1Oc1cc[nH+]cc1 ZINC000423918243 434580053 /nfs/dbraw/zinc/58/00/53/434580053.db2.gz YOIDQWMTWDQOPJ-INIZCTEOSA-N 2 2 311.385 3.263 20 0 DGADLP c1ccc(COc2ccc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cc2)cc1 ZINC000408506068 434580383 /nfs/dbraw/zinc/58/03/83/434580383.db2.gz VTRSNAYEVITZQP-PZJWPPBQSA-N 2 2 322.452 3.449 20 0 DGADLP c1ccc(COc2ccc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cc2)cc1 ZINC000408506068 434580390 /nfs/dbraw/zinc/58/03/90/434580390.db2.gz VTRSNAYEVITZQP-PZJWPPBQSA-N 2 2 322.452 3.449 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423318725 295216995 /nfs/dbraw/zinc/21/69/95/295216995.db2.gz DMNIRZFSJGFTTJ-YGRLFVJLSA-N 2 2 315.255 3.092 20 0 DGADLP CO[C@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)CC(C)C ZINC000418099335 434586725 /nfs/dbraw/zinc/58/67/25/434586725.db2.gz NBUXHEBPKNFYEF-SFHVURJKSA-N 2 2 301.434 3.331 20 0 DGADLP Cc1cc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc(C)[nH+]1 ZINC000424066583 434612556 /nfs/dbraw/zinc/61/25/56/434612556.db2.gz YPOATHGORCUIDV-QGZVFWFLSA-N 2 2 311.429 3.041 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354118067 434628134 /nfs/dbraw/zinc/62/81/34/434628134.db2.gz AQFBKRGETBRFJC-KRWDZBQOSA-N 2 2 320.525 3.419 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354118067 434628139 /nfs/dbraw/zinc/62/81/39/434628139.db2.gz AQFBKRGETBRFJC-KRWDZBQOSA-N 2 2 320.525 3.419 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000371008606 434632899 /nfs/dbraw/zinc/63/28/99/434632899.db2.gz YQSIGAVUPXOCNS-JTDSTZFVSA-N 2 2 313.445 3.432 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000371008606 434632903 /nfs/dbraw/zinc/63/29/03/434632903.db2.gz YQSIGAVUPXOCNS-JTDSTZFVSA-N 2 2 313.445 3.432 20 0 DGADLP CC[C@H](C)C[N@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447821 434603293 /nfs/dbraw/zinc/60/32/93/434603293.db2.gz AHKPMUDWWALIPK-YOEHRIQHSA-N 2 2 317.477 3.382 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447821 434603296 /nfs/dbraw/zinc/60/32/96/434603296.db2.gz AHKPMUDWWALIPK-YOEHRIQHSA-N 2 2 317.477 3.382 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000349130426 434612036 /nfs/dbraw/zinc/61/20/36/434612036.db2.gz OHGHDNPKXRJCEO-HSWBROFVSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000349130426 434612044 /nfs/dbraw/zinc/61/20/44/434612044.db2.gz OHGHDNPKXRJCEO-HSWBROFVSA-N 2 2 303.356 3.201 20 0 DGADLP c1cn2c(cccc2C[NH2+]Cc2cc(-c3ccccc3)on2)[nH+]1 ZINC000354269803 434697393 /nfs/dbraw/zinc/69/73/93/434697393.db2.gz AAKSDXBEKSLLES-UHFFFAOYSA-N 2 2 304.353 3.279 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)c[nH+]1 ZINC000354160812 434651090 /nfs/dbraw/zinc/65/10/90/434651090.db2.gz ZDPOZLWQHQOTFZ-LPHOPBHVSA-N 3 2 303.494 3.423 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168568 434652678 /nfs/dbraw/zinc/65/26/78/434652678.db2.gz YWLOMDSFWGGCIE-QGZVFWFLSA-N 2 2 319.449 3.353 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168568 434652687 /nfs/dbraw/zinc/65/26/87/434652687.db2.gz YWLOMDSFWGGCIE-QGZVFWFLSA-N 2 2 319.449 3.353 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168568 434652691 /nfs/dbraw/zinc/65/26/91/434652691.db2.gz YWLOMDSFWGGCIE-QGZVFWFLSA-N 2 2 319.449 3.353 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168568 434652696 /nfs/dbraw/zinc/65/26/96/434652696.db2.gz YWLOMDSFWGGCIE-QGZVFWFLSA-N 2 2 319.449 3.353 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207300 434666899 /nfs/dbraw/zinc/66/68/99/434666899.db2.gz MBWUPVDDWWGSHA-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207300 434666906 /nfs/dbraw/zinc/66/69/06/434666906.db2.gz MBWUPVDDWWGSHA-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207300 434666914 /nfs/dbraw/zinc/66/69/14/434666914.db2.gz MBWUPVDDWWGSHA-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@H]1C ZINC000354207300 434666922 /nfs/dbraw/zinc/66/69/22/434666922.db2.gz MBWUPVDDWWGSHA-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000349318648 434671340 /nfs/dbraw/zinc/67/13/40/434671340.db2.gz CDMYSQQJTHCHOM-IEBWSBKVSA-N 2 2 316.489 3.381 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734139 434680442 /nfs/dbraw/zinc/68/04/42/434680442.db2.gz AEFVGHSLSADBNC-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000360734139 434680449 /nfs/dbraw/zinc/68/04/49/434680449.db2.gz AEFVGHSLSADBNC-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000360734139 434680456 /nfs/dbraw/zinc/68/04/56/434680456.db2.gz AEFVGHSLSADBNC-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000360734139 434680459 /nfs/dbraw/zinc/68/04/59/434680459.db2.gz AEFVGHSLSADBNC-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc2ccc(Cl)cn12 ZINC000349356102 434686334 /nfs/dbraw/zinc/68/63/34/434686334.db2.gz VNONBJRFDPKVKA-UHFFFAOYSA-N 2 2 320.868 3.296 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2ccc(Cl)cn12 ZINC000349356102 434686343 /nfs/dbraw/zinc/68/63/43/434686343.db2.gz VNONBJRFDPKVKA-UHFFFAOYSA-N 2 2 320.868 3.296 20 0 DGADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000371386259 434686573 /nfs/dbraw/zinc/68/65/73/434686573.db2.gz YWRPUUXCVXWABN-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000371386259 434686591 /nfs/dbraw/zinc/68/65/91/434686591.db2.gz YWRPUUXCVXWABN-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP CC(C)c1ncc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000440462024 434703497 /nfs/dbraw/zinc/70/34/97/434703497.db2.gz NDDVDFQDRWZITM-UHFFFAOYSA-N 2 2 321.428 3.418 20 0 DGADLP CC(C)c1ncc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000440462024 434703503 /nfs/dbraw/zinc/70/35/03/434703503.db2.gz NDDVDFQDRWZITM-UHFFFAOYSA-N 2 2 321.428 3.418 20 0 DGADLP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[N@H+](C)Cc1ccccc1 ZINC000424341155 434706695 /nfs/dbraw/zinc/70/66/95/434706695.db2.gz INWLVERGOMNUJV-CQSZACIVSA-N 2 2 314.433 3.381 20 0 DGADLP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[N@@H+](C)Cc1ccccc1 ZINC000424341155 434706700 /nfs/dbraw/zinc/70/67/00/434706700.db2.gz INWLVERGOMNUJV-CQSZACIVSA-N 2 2 314.433 3.381 20 0 DGADLP CCCCCn1cc(C[NH2+]Cc2cccc3[nH+]ccn32)c(C)n1 ZINC000354289848 434707768 /nfs/dbraw/zinc/70/77/68/434707768.db2.gz NROHPFQEZAPPMN-UHFFFAOYSA-N 2 2 311.433 3.319 20 0 DGADLP COc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cc1F ZINC000354353132 434732245 /nfs/dbraw/zinc/73/22/45/434732245.db2.gz SNDVEHLSTPDRRT-UHFFFAOYSA-N 2 2 302.393 3.303 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000354350369 434732570 /nfs/dbraw/zinc/73/25/70/434732570.db2.gz CPKSPGYXCDIGHU-HNXFYBAISA-N 2 2 324.509 3.351 20 0 DGADLP Cc1nc(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc[nH+]1 ZINC000360952377 434742328 /nfs/dbraw/zinc/74/23/28/434742328.db2.gz ZNSJSIQILXCOIR-HOTGVXAUSA-N 2 2 324.472 3.297 20 0 DGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361044530 434776904 /nfs/dbraw/zinc/77/69/04/434776904.db2.gz IUCUGBZHSPBLHO-OAHLLOKOSA-N 2 2 321.465 3.106 20 0 DGADLP CCc1noc([C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361063477 434783550 /nfs/dbraw/zinc/78/35/50/434783550.db2.gz RCOOKXNAZSVUND-AWEZNQCLSA-N 2 2 317.437 3.082 20 0 DGADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000453058119 434785749 /nfs/dbraw/zinc/78/57/49/434785749.db2.gz JXEMCHCFOGUIMO-LJQANCHMSA-N 2 2 324.472 3.350 20 0 DGADLP CC(C)n1c[nH+]cc1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000424720906 434787353 /nfs/dbraw/zinc/78/73/53/434787353.db2.gz LIKZBAUTMKLCDX-UHFFFAOYSA-N 2 2 303.797 3.038 20 0 DGADLP CCC[C@@H](C(=O)OCC)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361059563 434781470 /nfs/dbraw/zinc/78/14/70/434781470.db2.gz GSTVSYOFPCVBQS-KRWDZBQOSA-N 2 2 321.465 3.107 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1=O ZINC000411559270 434800611 /nfs/dbraw/zinc/80/06/11/434800611.db2.gz NESIPQQOPHCRCZ-MRXNPFEDSA-N 2 2 300.446 3.083 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1=O ZINC000411559270 434800616 /nfs/dbraw/zinc/80/06/16/434800616.db2.gz NESIPQQOPHCRCZ-MRXNPFEDSA-N 2 2 300.446 3.083 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077012 434793756 /nfs/dbraw/zinc/79/37/56/434793756.db2.gz AGHYGIVVYVIEDL-LSDHHAIUSA-N 2 2 316.474 3.101 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077012 434793758 /nfs/dbraw/zinc/79/37/58/434793758.db2.gz AGHYGIVVYVIEDL-LSDHHAIUSA-N 2 2 316.474 3.101 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000453080200 434794495 /nfs/dbraw/zinc/79/44/95/434794495.db2.gz DWWVRZKYTLDGLH-RBUKOAKNSA-N 2 2 314.477 3.109 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113972 434805046 /nfs/dbraw/zinc/80/50/46/434805046.db2.gz RHJNZSGVEGJKSK-ROUUACIJSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113972 434805053 /nfs/dbraw/zinc/80/50/53/434805053.db2.gz RHJNZSGVEGJKSK-ROUUACIJSA-N 2 2 321.896 3.017 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000453141612 434813145 /nfs/dbraw/zinc/81/31/45/434813145.db2.gz LFSCCAADLACVBP-PFRQMTDMSA-N 2 2 324.472 3.284 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000453141612 434813149 /nfs/dbraw/zinc/81/31/49/434813149.db2.gz LFSCCAADLACVBP-PFRQMTDMSA-N 2 2 324.472 3.284 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000361190784 434826476 /nfs/dbraw/zinc/82/64/76/434826476.db2.gz QBKYXPIFAKCPEH-BYCMXARLSA-N 2 2 310.388 3.108 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000361190784 434826481 /nfs/dbraw/zinc/82/64/81/434826481.db2.gz QBKYXPIFAKCPEH-BYCMXARLSA-N 2 2 310.388 3.108 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247185 434839925 /nfs/dbraw/zinc/83/99/25/434839925.db2.gz DNCKMHDQSIIGPS-OXQOHEQNSA-N 2 2 316.489 3.063 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247185 434839930 /nfs/dbraw/zinc/83/99/30/434839930.db2.gz DNCKMHDQSIIGPS-OXQOHEQNSA-N 2 2 316.489 3.063 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)C(F)F ZINC000453251403 434840065 /nfs/dbraw/zinc/84/00/65/434840065.db2.gz TVKBICSTLYHXLS-IUODEOHRSA-N 2 2 300.393 3.321 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(F)F ZINC000453251404 434840868 /nfs/dbraw/zinc/84/08/68/434840868.db2.gz TVKBICSTLYHXLS-SWLSCSKDSA-N 2 2 300.393 3.321 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453259201 434843646 /nfs/dbraw/zinc/84/36/46/434843646.db2.gz PSOUUNSRJYMYII-GPMSIDNRSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453259201 434843648 /nfs/dbraw/zinc/84/36/48/434843648.db2.gz PSOUUNSRJYMYII-GPMSIDNRSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266871 434845282 /nfs/dbraw/zinc/84/52/82/434845282.db2.gz OQGUTEANUWQLPD-HOCLYGCPSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266871 434845285 /nfs/dbraw/zinc/84/52/85/434845285.db2.gz OQGUTEANUWQLPD-HOCLYGCPSA-N 2 2 318.486 3.399 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453265322 434845451 /nfs/dbraw/zinc/84/54/51/434845451.db2.gz NLUJKAVCQVBQJG-OALUTQOASA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453265322 434845454 /nfs/dbraw/zinc/84/54/54/434845454.db2.gz NLUJKAVCQVBQJG-OALUTQOASA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453269448 434846089 /nfs/dbraw/zinc/84/60/89/434846089.db2.gz RHSDCXMJEWYVHB-WOJBJXKFSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453269448 434846092 /nfs/dbraw/zinc/84/60/92/434846092.db2.gz RHSDCXMJEWYVHB-WOJBJXKFSA-N 2 2 318.505 3.080 20 0 DGADLP CCCC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453275716 434847477 /nfs/dbraw/zinc/84/74/77/434847477.db2.gz XDBUNBVDWHPNHP-RTBURBONSA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453275716 434847480 /nfs/dbraw/zinc/84/74/80/434847480.db2.gz XDBUNBVDWHPNHP-RTBURBONSA-N 2 2 304.478 3.354 20 0 DGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC[NH+](C)C)cc1 ZINC000553258222 434882874 /nfs/dbraw/zinc/88/28/74/434882874.db2.gz INTNOZJBJZOWDF-LJQANCHMSA-N 2 2 316.420 3.269 20 0 DGADLP Cc1nnsc1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000491998825 434896730 /nfs/dbraw/zinc/89/67/30/434896730.db2.gz KQWZZUVACJRQOH-UHFFFAOYSA-N 2 2 318.490 3.094 20 0 DGADLP Cc1nnsc1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000491998825 434896736 /nfs/dbraw/zinc/89/67/36/434896736.db2.gz KQWZZUVACJRQOH-UHFFFAOYSA-N 2 2 318.490 3.094 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554079502 434912502 /nfs/dbraw/zinc/91/25/02/434912502.db2.gz VBNRSVXRJFVOMJ-MXYBEHONSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554079502 434912508 /nfs/dbraw/zinc/91/25/08/434912508.db2.gz VBNRSVXRJFVOMJ-MXYBEHONSA-N 2 2 304.400 3.427 20 0 DGADLP CS[C@@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)C[C@@H]1[NH+](C)C ZINC000460953842 434867006 /nfs/dbraw/zinc/86/70/06/434867006.db2.gz WAALEBWEWDJHDZ-DLBZAZTESA-N 2 2 315.486 3.333 20 0 DGADLP c1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2s1 ZINC000462942249 434936560 /nfs/dbraw/zinc/93/65/60/434936560.db2.gz KPYHEYSIQDAAJE-CQSZACIVSA-N 2 2 301.459 3.395 20 0 DGADLP c1cc2[nH+]ccc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2s1 ZINC000462942249 434936564 /nfs/dbraw/zinc/93/65/64/434936564.db2.gz KPYHEYSIQDAAJE-CQSZACIVSA-N 2 2 301.459 3.395 20 0 DGADLP C[N@H+](Cc1cc(Br)cc(F)c1F)CC(C)(C)C[NH3+] ZINC000573926961 434937365 /nfs/dbraw/zinc/93/73/65/434937365.db2.gz JGOLCKHWFVESPT-UHFFFAOYSA-N 2 2 321.209 3.144 20 0 DGADLP C[N@@H+](Cc1cc(Br)cc(F)c1F)CC(C)(C)C[NH3+] ZINC000573926961 434937367 /nfs/dbraw/zinc/93/73/67/434937367.db2.gz JGOLCKHWFVESPT-UHFFFAOYSA-N 2 2 321.209 3.144 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(CC)OC ZINC000638105499 434952801 /nfs/dbraw/zinc/95/28/01/434952801.db2.gz SPPFTCODWRQFID-IBGZPJMESA-N 2 2 319.493 3.435 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(CC)OC ZINC000638105499 434952803 /nfs/dbraw/zinc/95/28/03/434952803.db2.gz SPPFTCODWRQFID-IBGZPJMESA-N 2 2 319.493 3.435 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638120547 434958049 /nfs/dbraw/zinc/95/80/49/434958049.db2.gz AHZHTPLYISPZCP-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638120547 434958051 /nfs/dbraw/zinc/95/80/51/434958051.db2.gz AHZHTPLYISPZCP-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116445 434958404 /nfs/dbraw/zinc/95/84/04/434958404.db2.gz XYWMRPNESUPZOF-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116445 434958408 /nfs/dbraw/zinc/95/84/08/434958408.db2.gz XYWMRPNESUPZOF-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116445 434958411 /nfs/dbraw/zinc/95/84/11/434958411.db2.gz XYWMRPNESUPZOF-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)[C@H](C)C1 ZINC000638116445 434958416 /nfs/dbraw/zinc/95/84/16/434958416.db2.gz XYWMRPNESUPZOF-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000555254578 434967429 /nfs/dbraw/zinc/96/74/29/434967429.db2.gz MKUYZPKHHNNNNG-IAGOWNOFSA-N 2 2 308.853 3.071 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C[C@H]1n1cc[nH+]c1 ZINC000638172001 434970538 /nfs/dbraw/zinc/97/05/38/434970538.db2.gz MZLRCZFFYAAQGS-IUODEOHRSA-N 2 2 306.360 3.299 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C[C@H]1n1cc[nH+]c1 ZINC000638172001 434970541 /nfs/dbraw/zinc/97/05/41/434970541.db2.gz MZLRCZFFYAAQGS-IUODEOHRSA-N 2 2 306.360 3.299 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000638169572 434971227 /nfs/dbraw/zinc/97/12/27/434971227.db2.gz BHEZNNNTJGEJMB-HBFSDRIKSA-N 2 2 324.472 3.293 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000638169572 434971231 /nfs/dbraw/zinc/97/12/31/434971231.db2.gz BHEZNNNTJGEJMB-HBFSDRIKSA-N 2 2 324.472 3.293 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555462571 434974689 /nfs/dbraw/zinc/97/46/89/434974689.db2.gz QUPONFBRYVWBSF-ROUUACIJSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555462571 434974692 /nfs/dbraw/zinc/97/46/92/434974692.db2.gz QUPONFBRYVWBSF-ROUUACIJSA-N 2 2 308.510 3.247 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000462801573 434930237 /nfs/dbraw/zinc/93/02/37/434930237.db2.gz CNJDTWJHPHPXFZ-FGTMMUONSA-N 2 2 304.478 3.471 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CS1 ZINC000638385989 435018573 /nfs/dbraw/zinc/01/85/73/435018573.db2.gz NFFIHADTVYYQNO-SUMWQHHRSA-N 2 2 308.466 3.274 20 0 DGADLP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)OC ZINC000638386437 435018801 /nfs/dbraw/zinc/01/88/01/435018801.db2.gz RDPNMBYVFWTNOZ-SFHVURJKSA-N 2 2 308.441 3.195 20 0 DGADLP CC(C)O[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000638405106 435023793 /nfs/dbraw/zinc/02/37/93/435023793.db2.gz VKZHISVIPSOPIJ-GOSISDBHSA-N 2 2 301.434 3.419 20 0 DGADLP c1cn(Cc2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)c[nH+]1 ZINC000556774905 435023951 /nfs/dbraw/zinc/02/39/51/435023951.db2.gz HNTFVCKRYCACEK-UHFFFAOYSA-N 2 2 318.424 3.105 20 0 DGADLP c1nnc([C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C2CCCCC2)[nH]1 ZINC000638426468 435029024 /nfs/dbraw/zinc/02/90/24/435029024.db2.gz RIODSDQPPOJFAB-KRWDZBQOSA-N 2 2 317.481 3.033 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]([NH3+])CCC(C)C)[nH+]1 ZINC000638281012 434995364 /nfs/dbraw/zinc/99/53/64/434995364.db2.gz MRMKCDXNVWYSPD-AWEZNQCLSA-N 2 2 300.406 3.087 20 0 DGADLP c1cn(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000638284634 434995867 /nfs/dbraw/zinc/99/58/67/434995867.db2.gz BTWCIFUGMVZVKT-AZUAARDMSA-N 3 2 324.472 3.231 20 0 DGADLP c1cn(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000638284634 434995870 /nfs/dbraw/zinc/99/58/70/434995870.db2.gz BTWCIFUGMVZVKT-AZUAARDMSA-N 3 2 324.472 3.231 20 0 DGADLP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)[NH+]2CCCC2)cc1 ZINC000638283762 434996155 /nfs/dbraw/zinc/99/61/55/434996155.db2.gz ZZHWMBXWJODVRQ-COXVUDFISA-N 2 2 324.415 3.465 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000574703158 434997723 /nfs/dbraw/zinc/99/77/23/434997723.db2.gz AOKORYFBCMTFKZ-KDOFPFPSSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000574703158 434997726 /nfs/dbraw/zinc/99/77/26/434997726.db2.gz AOKORYFBCMTFKZ-KDOFPFPSSA-N 2 2 312.461 3.027 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000638288024 434997983 /nfs/dbraw/zinc/99/79/83/434997983.db2.gz YUIWDJXPDMATJG-HNNXBMFYSA-N 2 2 319.449 3.396 20 0 DGADLP COCC1(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000638287467 434998712 /nfs/dbraw/zinc/99/87/12/434998712.db2.gz UUXPWDUHOQYGMX-OAHLLOKOSA-N 2 2 308.491 3.291 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@H]3CCCC[N@H+]3CC(C)C)cn2c1 ZINC000556415896 435006329 /nfs/dbraw/zinc/00/63/29/435006329.db2.gz TUEPRRYHHVZFRX-GOSISDBHSA-N 2 2 314.477 3.243 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@H]3CCCC[N@@H+]3CC(C)C)cn2c1 ZINC000556415896 435006332 /nfs/dbraw/zinc/00/63/32/435006332.db2.gz TUEPRRYHHVZFRX-GOSISDBHSA-N 2 2 314.477 3.243 20 0 DGADLP CC[C@@H](C[NH2+]CCC1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000638334337 435007130 /nfs/dbraw/zinc/00/71/30/435007130.db2.gz BFBWKGDZWYKVNK-FQEVSTJZSA-N 2 2 316.489 3.230 20 0 DGADLP CC[C@@H](C[NH2+]CCC1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000638334337 435007133 /nfs/dbraw/zinc/00/71/33/435007133.db2.gz BFBWKGDZWYKVNK-FQEVSTJZSA-N 2 2 316.489 3.230 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CCC1CCOCC1)c1ccccc1 ZINC000638701566 435074356 /nfs/dbraw/zinc/07/43/56/435074356.db2.gz WICNCFNDNNBMGX-GOSISDBHSA-N 2 2 313.445 3.110 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000578334442 435077582 /nfs/dbraw/zinc/07/75/82/435077582.db2.gz OGIJFVOVSPYMJE-YJBOKZPZSA-N 2 2 318.461 3.341 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000578334442 435077583 /nfs/dbraw/zinc/07/75/83/435077583.db2.gz OGIJFVOVSPYMJE-YJBOKZPZSA-N 2 2 318.461 3.341 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000638788614 435089037 /nfs/dbraw/zinc/08/90/37/435089037.db2.gz MUZYFMOAZNDLIV-HNNXBMFYSA-N 2 2 319.518 3.340 20 0 DGADLP CO[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)CC(C)C ZINC000638788390 435089526 /nfs/dbraw/zinc/08/95/26/435089526.db2.gz JDEPAQOOGPFIBL-LPHOPBHVSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638466269 435036954 /nfs/dbraw/zinc/03/69/54/435036954.db2.gz IITNVXAOUPZMOK-POAQFYNOSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638466269 435036955 /nfs/dbraw/zinc/03/69/55/435036955.db2.gz IITNVXAOUPZMOK-POAQFYNOSA-N 3 2 315.505 3.284 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@H]3CCC[N@@H+]3CC3CCCCC3)C2)c1 ZINC000638522761 435044827 /nfs/dbraw/zinc/04/48/27/435044827.db2.gz WLDIABIINIIBKJ-JLAWEPINSA-N 2 2 316.493 3.221 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@H]3CCC[N@H+]3CC3CCCCC3)C2)c1 ZINC000638522761 435044831 /nfs/dbraw/zinc/04/48/31/435044831.db2.gz WLDIABIINIIBKJ-JLAWEPINSA-N 2 2 316.493 3.221 20 0 DGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@H]1CC1(F)F ZINC000638595651 435056693 /nfs/dbraw/zinc/05/66/93/435056693.db2.gz UGPPOPHDPFUPBZ-UONOGXRCSA-N 2 2 318.477 3.371 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC000474487377 435149332 /nfs/dbraw/zinc/14/93/32/435149332.db2.gz KDBMKIVQBRDXLM-PQUAAJSLSA-N 2 2 312.498 3.064 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493077103 435103659 /nfs/dbraw/zinc/10/36/59/435103659.db2.gz AIXBIRLEWDYSIL-BOLDSZDNSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493077103 435103664 /nfs/dbraw/zinc/10/36/64/435103664.db2.gz AIXBIRLEWDYSIL-BOLDSZDNSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493077105 435104387 /nfs/dbraw/zinc/10/43/87/435104387.db2.gz AIXBIRLEWDYSIL-FJVVXJACSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493077105 435104391 /nfs/dbraw/zinc/10/43/91/435104391.db2.gz AIXBIRLEWDYSIL-FJVVXJACSA-N 2 2 324.428 3.436 20 0 DGADLP CC[N@H+](CCc1cc[nH+]cc1C)Cc1ccc(OC)cc1OC ZINC000578762271 435107130 /nfs/dbraw/zinc/10/71/30/435107130.db2.gz GNRADTZGACPRJJ-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP CC[N@@H+](CCc1cc[nH+]cc1C)Cc1ccc(OC)cc1OC ZINC000578762271 435107134 /nfs/dbraw/zinc/10/71/34/435107134.db2.gz GNRADTZGACPRJJ-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000467335351 435117653 /nfs/dbraw/zinc/11/76/53/435117653.db2.gz QFKQWIUJGSPFKB-DOMZBBRYSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000467335351 435117654 /nfs/dbraw/zinc/11/76/54/435117654.db2.gz QFKQWIUJGSPFKB-DOMZBBRYSA-N 2 2 312.379 3.463 20 0 DGADLP Cc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)[nH+]1 ZINC000531776915 435118400 /nfs/dbraw/zinc/11/84/00/435118400.db2.gz IBIFFXVFJDEUMZ-UHFFFAOYSA-N 2 2 318.465 3.283 20 0 DGADLP Cc1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C)[nH+]1 ZINC000531776915 435118403 /nfs/dbraw/zinc/11/84/03/435118403.db2.gz IBIFFXVFJDEUMZ-UHFFFAOYSA-N 2 2 318.465 3.283 20 0 DGADLP CCCc1nc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000559238037 435124267 /nfs/dbraw/zinc/12/42/67/435124267.db2.gz VSLCXSUWYIZJAX-UHFFFAOYSA-N 2 2 314.433 3.407 20 0 DGADLP CC(C)c1ccc(CC[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000470300638 435134754 /nfs/dbraw/zinc/13/47/54/435134754.db2.gz WXQQNFBIFLYTNT-QGZVFWFLSA-N 2 2 304.478 3.053 20 0 DGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761676 435138108 /nfs/dbraw/zinc/13/81/08/435138108.db2.gz GVGNLPBCNMCMPJ-QGZVFWFLSA-N 2 2 308.853 3.027 20 0 DGADLP Clc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761676 435138112 /nfs/dbraw/zinc/13/81/12/435138112.db2.gz GVGNLPBCNMCMPJ-QGZVFWFLSA-N 2 2 308.853 3.027 20 0 DGADLP CO[C@@](C)(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000639175717 435184543 /nfs/dbraw/zinc/18/45/43/435184543.db2.gz OYTWSFLRFAOCQK-SFHVURJKSA-N 2 2 305.466 3.190 20 0 DGADLP C[NH+]1CCC([N@H+](CCC[C@@H]2CCO2)Cc2ccccc2)CC1 ZINC000639179580 435187366 /nfs/dbraw/zinc/18/73/66/435187366.db2.gz UGXADNIATLYKHQ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[NH+]1CCC([N@@H+](CCC[C@@H]2CCO2)Cc2ccccc2)CC1 ZINC000639179580 435187370 /nfs/dbraw/zinc/18/73/70/435187370.db2.gz UGXADNIATLYKHQ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2N)CC[N@@H+]1Cc1ccccc1 ZINC000639188119 435191233 /nfs/dbraw/zinc/19/12/33/435191233.db2.gz QNJKPWPWPVGYRG-KDOFPFPSSA-N 2 2 313.420 3.161 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2N)CC[N@H+]1Cc1ccccc1 ZINC000639188119 435191236 /nfs/dbraw/zinc/19/12/36/435191236.db2.gz QNJKPWPWPVGYRG-KDOFPFPSSA-N 2 2 313.420 3.161 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000639195213 435192763 /nfs/dbraw/zinc/19/27/63/435192763.db2.gz RREUIBFKUBWWNX-GOSISDBHSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000639195213 435192767 /nfs/dbraw/zinc/19/27/67/435192767.db2.gz RREUIBFKUBWWNX-GOSISDBHSA-N 2 2 313.445 3.375 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)co2)c1 ZINC000579941913 435193170 /nfs/dbraw/zinc/19/31/70/435193170.db2.gz MAQPATDDFARKMI-SOUVJXGZSA-N 2 2 317.458 3.413 20 0 DGADLP c1cc2cccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c2o1 ZINC000579979027 435197841 /nfs/dbraw/zinc/19/78/41/435197841.db2.gz NNVDHIRHZTWJHI-SFHVURJKSA-N 2 2 314.429 3.120 20 0 DGADLP c1cc2cccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c2o1 ZINC000579979027 435197844 /nfs/dbraw/zinc/19/78/44/435197844.db2.gz NNVDHIRHZTWJHI-SFHVURJKSA-N 2 2 314.429 3.120 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532948465 435201320 /nfs/dbraw/zinc/20/13/20/435201320.db2.gz VMYMJRSTJAKLBM-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532948465 435201322 /nfs/dbraw/zinc/20/13/22/435201322.db2.gz VMYMJRSTJAKLBM-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP Cc1nocc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639227391 435204126 /nfs/dbraw/zinc/20/41/26/435204126.db2.gz MDWLBVBZXPDOCQ-HKUYNNGSSA-N 2 2 311.429 3.441 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025392 435205582 /nfs/dbraw/zinc/20/55/82/435205582.db2.gz IHXXUCDPIRBTOM-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025392 435205585 /nfs/dbraw/zinc/20/55/85/435205585.db2.gz IHXXUCDPIRBTOM-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025392 435205589 /nfs/dbraw/zinc/20/55/89/435205589.db2.gz IHXXUCDPIRBTOM-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025392 435205593 /nfs/dbraw/zinc/20/55/93/435205593.db2.gz IHXXUCDPIRBTOM-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCCOc2ccc(Cl)cc2)n1C ZINC000579497001 435159648 /nfs/dbraw/zinc/15/96/48/435159648.db2.gz YDQWDKFZIRELOH-UHFFFAOYSA-N 2 2 307.825 3.331 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474801826 435161294 /nfs/dbraw/zinc/16/12/94/435161294.db2.gz ZOROYBTZZNZHDQ-HUUCEWRRSA-N 2 2 312.885 3.390 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474801826 435161297 /nfs/dbraw/zinc/16/12/97/435161297.db2.gz ZOROYBTZZNZHDQ-HUUCEWRRSA-N 2 2 312.885 3.390 20 0 DGADLP Oc1cccnc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120383 435161652 /nfs/dbraw/zinc/16/16/52/435161652.db2.gz QUUOKONGMIOWBT-QFBILLFUSA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cccnc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639120383 435161656 /nfs/dbraw/zinc/16/16/56/435161656.db2.gz QUUOKONGMIOWBT-QFBILLFUSA-N 2 2 323.440 3.245 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000474802827 435162349 /nfs/dbraw/zinc/16/23/49/435162349.db2.gz UCQQPMVEEVRDHO-ROUUACIJSA-N 2 2 306.519 3.453 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000579656521 435170896 /nfs/dbraw/zinc/17/08/96/435170896.db2.gz SEUYNKIGYUKJDJ-OAQYLSRUSA-N 2 2 306.453 3.266 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000579656521 435170900 /nfs/dbraw/zinc/17/09/00/435170900.db2.gz SEUYNKIGYUKJDJ-OAQYLSRUSA-N 2 2 306.453 3.266 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000532532232 435172844 /nfs/dbraw/zinc/17/28/44/435172844.db2.gz TVQNUJRXLZLYPA-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000532532232 435172848 /nfs/dbraw/zinc/17/28/48/435172848.db2.gz TVQNUJRXLZLYPA-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000532520046 435174504 /nfs/dbraw/zinc/17/45/04/435174504.db2.gz DZYBQNNLPPYENA-AWEZNQCLSA-N 2 2 324.428 3.119 20 0 DGADLP c1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000532585503 435178160 /nfs/dbraw/zinc/17/81/60/435178160.db2.gz WXZDJQWVNAMBRJ-QGZVFWFLSA-N 2 2 322.456 3.061 20 0 DGADLP c1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000532585503 435178164 /nfs/dbraw/zinc/17/81/64/435178164.db2.gz WXZDJQWVNAMBRJ-QGZVFWFLSA-N 2 2 322.456 3.061 20 0 DGADLP COc1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000639174991 435183016 /nfs/dbraw/zinc/18/30/16/435183016.db2.gz FJSHXDBQFONWAZ-UHFFFAOYSA-N 2 2 320.462 3.041 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000639257137 435215325 /nfs/dbraw/zinc/21/53/25/435215325.db2.gz JKMRVSDENYFCKT-APWZRJJASA-N 2 2 311.429 3.441 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000639257137 435215333 /nfs/dbraw/zinc/21/53/33/435215333.db2.gz JKMRVSDENYFCKT-APWZRJJASA-N 2 2 311.429 3.441 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000561468200 435218333 /nfs/dbraw/zinc/21/83/33/435218333.db2.gz PGOSVWZUIXLLPJ-FVJLSDCUSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000561468200 435218336 /nfs/dbraw/zinc/21/83/36/435218336.db2.gz PGOSVWZUIXLLPJ-FVJLSDCUSA-N 2 2 324.468 3.433 20 0 DGADLP CCC[C@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241722 435211532 /nfs/dbraw/zinc/21/15/32/435211532.db2.gz HSCNGYYHZDYBMU-CQSZACIVSA-N 2 2 310.404 3.150 20 0 DGADLP CCC[C@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639241722 435211533 /nfs/dbraw/zinc/21/15/33/435211533.db2.gz HSCNGYYHZDYBMU-CQSZACIVSA-N 2 2 310.404 3.150 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)Oc2ccc(C(C)C)cc2)n1C ZINC000583945686 435259343 /nfs/dbraw/zinc/25/93/43/435259343.db2.gz CQENUCNGAGVYOO-CQSZACIVSA-N 2 2 301.434 3.409 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000639375044 435272427 /nfs/dbraw/zinc/27/24/27/435272427.db2.gz PPWDEEPVWYYCFB-UHFFFAOYSA-N 3 2 324.472 3.323 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000639376073 435273297 /nfs/dbraw/zinc/27/32/97/435273297.db2.gz SJKAZWDNZKQVPV-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000584107136 435273766 /nfs/dbraw/zinc/27/37/66/435273766.db2.gz DHXINSXYEYDNFP-INIZCTEOSA-N 2 2 320.868 3.141 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000639378507 435274820 /nfs/dbraw/zinc/27/48/20/435274820.db2.gz FYEQISXCHCMEAR-UHFFFAOYSA-N 2 2 320.477 3.318 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000639379010 435274961 /nfs/dbraw/zinc/27/49/61/435274961.db2.gz KTIYRNPQACIHRF-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP Cn1cc(Cl)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000643249756 435284402 /nfs/dbraw/zinc/28/44/02/435284402.db2.gz SDMJJFZRPIUBPM-UHFFFAOYSA-N 2 2 324.900 3.162 20 0 DGADLP CCCOc1cc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639398526 435284895 /nfs/dbraw/zinc/28/48/95/435284895.db2.gz QKDWNYBSQRDLMY-KRWDZBQOSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639398526 435284900 /nfs/dbraw/zinc/28/49/00/435284900.db2.gz QKDWNYBSQRDLMY-KRWDZBQOSA-N 2 2 318.461 3.010 20 0 DGADLP CC[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412744 435291156 /nfs/dbraw/zinc/29/11/56/435291156.db2.gz ZDWUCCVDQYWVND-GIYDNNGJSA-N 2 2 316.489 3.369 20 0 DGADLP CC[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412744 435291161 /nfs/dbraw/zinc/29/11/61/435291161.db2.gz ZDWUCCVDQYWVND-GIYDNNGJSA-N 2 2 316.489 3.369 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457589 435330066 /nfs/dbraw/zinc/33/00/66/435330066.db2.gz PANDZEBCMBRJMO-SJLPKXTDSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457589 435330073 /nfs/dbraw/zinc/33/00/73/435330073.db2.gz PANDZEBCMBRJMO-SJLPKXTDSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000643467670 435332056 /nfs/dbraw/zinc/33/20/56/435332056.db2.gz OOTNRSDOSGTRJT-UTKZUKDTSA-N 2 2 324.468 3.253 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)CCO2 ZINC000643482455 435333620 /nfs/dbraw/zinc/33/36/20/435333620.db2.gz OOERNMQZFOIKSS-ZACQAIPSSA-N 2 2 304.434 3.029 20 0 DGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500993 435336017 /nfs/dbraw/zinc/33/60/17/435336017.db2.gz NLXPCWJAUMJRPS-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000643493562 435337432 /nfs/dbraw/zinc/33/74/32/435337432.db2.gz FOPPSEKSBAZKTE-GMBSWORKSA-N 2 2 314.429 3.355 20 0 DGADLP Brc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501220 435337511 /nfs/dbraw/zinc/33/75/11/435337511.db2.gz AJJHXGDKFVXJQR-NHYWBVRUSA-N 2 2 309.251 3.168 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000643501028 435337584 /nfs/dbraw/zinc/33/75/84/435337584.db2.gz QCNVUSWQLZIBHF-ZBFHGGJFSA-N 2 2 306.450 3.277 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544142 435337918 /nfs/dbraw/zinc/33/79/18/435337918.db2.gz UTAVATXULXETDF-XLIONFOSSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544142 435337922 /nfs/dbraw/zinc/33/79/22/435337922.db2.gz UTAVATXULXETDF-XLIONFOSSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000639544142 435337927 /nfs/dbraw/zinc/33/79/27/435337927.db2.gz UTAVATXULXETDF-XLIONFOSSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000639544142 435337929 /nfs/dbraw/zinc/33/79/29/435337929.db2.gz UTAVATXULXETDF-XLIONFOSSA-N 2 2 313.489 3.456 20 0 DGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[NH2+]C1CC1)CCCC2 ZINC000643506985 435338943 /nfs/dbraw/zinc/33/89/43/435338943.db2.gz OPYWISDFYXPDDF-GOSISDBHSA-N 2 2 300.446 3.121 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCC2 ZINC000643501664 435338963 /nfs/dbraw/zinc/33/89/63/435338963.db2.gz NHDUJBSZWUKWCV-SWLSCSKDSA-N 2 2 313.367 3.210 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507357 435339298 /nfs/dbraw/zinc/33/92/98/435339298.db2.gz ARPXGTJFEBRTOV-FQEVSTJZSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1sccc1Br ZINC000643525812 435343161 /nfs/dbraw/zinc/34/31/61/435343161.db2.gz QJFGDNWKNRDQTG-KXUCPTDWSA-N 2 2 303.269 3.302 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Br)cc1Cl ZINC000643527965 435344375 /nfs/dbraw/zinc/34/43/75/435344375.db2.gz WJHSEBBUNUQBCO-PRHODGIISA-N 2 2 305.647 3.490 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000643527551 435344938 /nfs/dbraw/zinc/34/49/38/435344938.db2.gz OLDBNGBWFXYBBJ-AMIZOPFISA-N 2 2 317.658 3.490 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000643527436 435345194 /nfs/dbraw/zinc/34/51/94/435345194.db2.gz MXPJWJCERKYLNJ-IINYFYTJSA-N 2 2 315.255 3.092 20 0 DGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537345 435346307 /nfs/dbraw/zinc/34/63/07/435346307.db2.gz FSZABOXVCXXXBY-KCQAQPDRSA-N 2 2 312.816 3.152 20 0 DGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537263 435346499 /nfs/dbraw/zinc/34/64/99/435346499.db2.gz CBBDIEQLQNTUHK-UGFHNGPFSA-N 2 2 319.449 3.469 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000643538110 435347705 /nfs/dbraw/zinc/34/77/05/435347705.db2.gz YRBRGXPLBXPAGS-GVXVVHGQSA-N 2 2 303.208 3.270 20 0 DGADLP C[C@H]([NH2+]CC(=O)c1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581819 435356324 /nfs/dbraw/zinc/35/63/24/435356324.db2.gz YZAIKFMUBXFJHK-LSDHHAIUSA-N 2 2 318.436 3.251 20 0 DGADLP C[C@H]([NH2+]CC(=O)c1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581819 435356329 /nfs/dbraw/zinc/35/63/29/435356329.db2.gz YZAIKFMUBXFJHK-LSDHHAIUSA-N 2 2 318.436 3.251 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000480035970 435363899 /nfs/dbraw/zinc/36/38/99/435363899.db2.gz GIQNQGIRMVKQOX-GJZGRUSLSA-N 2 2 310.507 3.318 20 0 DGADLP CCc1cc(NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)nc(C)[nH+]1 ZINC000568248318 435413290 /nfs/dbraw/zinc/41/32/90/435413290.db2.gz NBXNKXWKOLPWMB-UHFFFAOYSA-N 2 2 321.428 3.374 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](CC)[C@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000480255658 435371589 /nfs/dbraw/zinc/37/15/89/435371589.db2.gz YVHHOUKKNQCVCV-UFYCRDLUSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](CC)[C@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000480255658 435371592 /nfs/dbraw/zinc/37/15/92/435371592.db2.gz YVHHOUKKNQCVCV-UFYCRDLUSA-N 2 2 316.489 3.228 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480238573 435371718 /nfs/dbraw/zinc/37/17/18/435371718.db2.gz DQMKQEQKOWAQAX-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480238573 435371722 /nfs/dbraw/zinc/37/17/22/435371722.db2.gz DQMKQEQKOWAQAX-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000480224396 435371990 /nfs/dbraw/zinc/37/19/90/435371990.db2.gz FANPKPCYFFWAON-JZXOWHBKSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000480224396 435371994 /nfs/dbraw/zinc/37/19/94/435371994.db2.gz FANPKPCYFFWAON-JZXOWHBKSA-N 2 2 304.478 3.453 20 0 DGADLP COC[C@@H]([NH2+]Cc1c(C)cc(C)[nH+]c1C)c1cccc(OC)c1 ZINC000639801735 435423117 /nfs/dbraw/zinc/42/31/17/435423117.db2.gz RTJBNAUYYJKQOM-LJQANCHMSA-N 2 2 314.429 3.493 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000513379053 435387052 /nfs/dbraw/zinc/38/70/52/435387052.db2.gz WJAVXLQKYBQXOY-GKCIPKSASA-N 2 2 314.473 3.089 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000513379053 435387058 /nfs/dbraw/zinc/38/70/58/435387058.db2.gz WJAVXLQKYBQXOY-GKCIPKSASA-N 2 2 314.473 3.089 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664304 435388277 /nfs/dbraw/zinc/38/82/77/435388277.db2.gz ZIIYFPKLGHDYBM-UGSOOPFHSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664304 435388282 /nfs/dbraw/zinc/38/82/82/435388282.db2.gz ZIIYFPKLGHDYBM-UGSOOPFHSA-N 2 2 308.416 3.360 20 0 DGADLP c1sc(C2CC2)nc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639703666 435396875 /nfs/dbraw/zinc/39/68/75/435396875.db2.gz KKGZPLGUDYMAQA-UHFFFAOYSA-N 2 2 314.458 3.128 20 0 DGADLP c1sc(C2CC2)nc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639703666 435396877 /nfs/dbraw/zinc/39/68/77/435396877.db2.gz KKGZPLGUDYMAQA-UHFFFAOYSA-N 2 2 314.458 3.128 20 0 DGADLP C[N@H+](CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000515026317 435455387 /nfs/dbraw/zinc/45/53/87/435455387.db2.gz XUEXKOGVFRNHSN-INIZCTEOSA-N 2 2 318.465 3.118 20 0 DGADLP C[N@@H+](CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000515026317 435455394 /nfs/dbraw/zinc/45/53/94/435455394.db2.gz XUEXKOGVFRNHSN-INIZCTEOSA-N 2 2 318.465 3.118 20 0 DGADLP C[N@H+](CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000515026318 435456125 /nfs/dbraw/zinc/45/61/25/435456125.db2.gz XUEXKOGVFRNHSN-MRXNPFEDSA-N 2 2 318.465 3.118 20 0 DGADLP C[N@@H+](CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000515026318 435456129 /nfs/dbraw/zinc/45/61/29/435456129.db2.gz XUEXKOGVFRNHSN-MRXNPFEDSA-N 2 2 318.465 3.118 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639983621 435479243 /nfs/dbraw/zinc/47/92/43/435479243.db2.gz KUZQYHLPBPKCIO-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC(OC(F)F)CC3)n2c1 ZINC000648817403 435429642 /nfs/dbraw/zinc/42/96/42/435429642.db2.gz QRKWESLSFGCADD-UHFFFAOYSA-N 2 2 309.360 3.283 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000537293931 435434991 /nfs/dbraw/zinc/43/49/91/435434991.db2.gz MZGZNZTZKWLXDI-BRSBDYLESA-N 2 2 308.510 3.434 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000537293931 435434996 /nfs/dbraw/zinc/43/49/96/435434996.db2.gz MZGZNZTZKWLXDI-BRSBDYLESA-N 2 2 308.510 3.434 20 0 DGADLP COc1ccc(-c2nc(C[NH2+]C[C@@H](C)C[NH+](C)C)cs2)cc1 ZINC000644414892 435439902 /nfs/dbraw/zinc/43/99/02/435439902.db2.gz NNHBDSIDDINTHR-CYBMUJFWSA-N 2 2 319.474 3.106 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)C[NH+](C)C ZINC000644414898 435440422 /nfs/dbraw/zinc/44/04/22/435440422.db2.gz PXFYZSKMHWPDNR-JTQLQIEISA-N 2 2 306.784 3.229 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000639982298 435480367 /nfs/dbraw/zinc/48/03/67/435480367.db2.gz LLKFNBIDENQYNM-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1(CO)CCC1 ZINC000644835175 435523394 /nfs/dbraw/zinc/52/33/94/435523394.db2.gz WTAIDKCFCNUFJK-INIZCTEOSA-N 2 2 319.474 3.211 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000644863953 435531797 /nfs/dbraw/zinc/53/17/97/435531797.db2.gz MSAQQHLDZYMULC-INIZCTEOSA-N 2 2 310.376 3.311 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000644863953 435531801 /nfs/dbraw/zinc/53/18/01/435531801.db2.gz MSAQQHLDZYMULC-INIZCTEOSA-N 2 2 310.376 3.311 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000538116004 435481722 /nfs/dbraw/zinc/48/17/22/435481722.db2.gz HBLUWAIQYMBLAD-QZTJIDSGSA-N 2 2 304.503 3.473 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000639987639 435482128 /nfs/dbraw/zinc/48/21/28/435482128.db2.gz LSKSHPUJSCAGNC-UHFFFAOYSA-N 2 2 320.452 3.158 20 0 DGADLP CCc1noc(C)c1C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987185 435482747 /nfs/dbraw/zinc/48/27/47/435482747.db2.gz YKRJGTGAQXUTCV-UHFFFAOYSA-N 2 2 305.466 3.386 20 0 DGADLP c1cn(C2CCN(c3[nH+]cnc4[nH]c5ccccc5c43)CC2)c[nH+]1 ZINC000569780922 435561296 /nfs/dbraw/zinc/56/12/96/435561296.db2.gz QBEKGJVNUOUUBW-UHFFFAOYSA-N 2 2 318.384 3.149 20 0 DGADLP CO[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204334 435592276 /nfs/dbraw/zinc/59/22/76/435592276.db2.gz DBIGXZRRRHQCLM-MSOLQXFVSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204334 435592286 /nfs/dbraw/zinc/59/22/86/435592286.db2.gz DBIGXZRRRHQCLM-MSOLQXFVSA-N 2 2 302.462 3.054 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000485724656 435576960 /nfs/dbraw/zinc/57/69/60/435576960.db2.gz ADMUHFFETHDIPE-CFVMTHIKSA-N 2 2 300.368 3.262 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000485724656 435576965 /nfs/dbraw/zinc/57/69/65/435576965.db2.gz ADMUHFFETHDIPE-CFVMTHIKSA-N 2 2 300.368 3.262 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[nH+]c1C ZINC000517176556 435580145 /nfs/dbraw/zinc/58/01/45/435580145.db2.gz OUBUCBURUGYDMN-KRWDZBQOSA-N 2 2 304.482 3.161 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)[nH+]c1C ZINC000517176556 435580151 /nfs/dbraw/zinc/58/01/51/435580151.db2.gz OUBUCBURUGYDMN-KRWDZBQOSA-N 2 2 304.482 3.161 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@@H]1[NH3+] ZINC000649416491 435583210 /nfs/dbraw/zinc/58/32/10/435583210.db2.gz BVCBSKNGKMJOHX-BZNIZROVSA-N 2 2 321.371 3.179 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@@H]1[NH3+] ZINC000649416491 435583214 /nfs/dbraw/zinc/58/32/14/435583214.db2.gz BVCBSKNGKMJOHX-BZNIZROVSA-N 2 2 321.371 3.179 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2c1C ZINC000645202393 435592606 /nfs/dbraw/zinc/59/26/06/435592606.db2.gz SHHBPTHDUTZPND-NVXWUHKLSA-N 2 2 321.428 3.432 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2c1C ZINC000645202393 435592611 /nfs/dbraw/zinc/59/26/11/435592611.db2.gz SHHBPTHDUTZPND-NVXWUHKLSA-N 2 2 321.428 3.432 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCc3cn4cccc(C)c4[nH+]3)c2c1C ZINC000645183195 435586076 /nfs/dbraw/zinc/58/60/76/435586076.db2.gz TUDUYSBHCMGZOR-UHFFFAOYSA-N 2 2 320.400 3.185 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000516569826 435537845 /nfs/dbraw/zinc/53/78/45/435537845.db2.gz JEPDNOQNHVVIAV-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000516569826 435537851 /nfs/dbraw/zinc/53/78/51/435537851.db2.gz JEPDNOQNHVVIAV-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H](COc2ccccc2)c2ccccc2)CC1 ZINC000539069035 435537911 /nfs/dbraw/zinc/53/79/11/435537911.db2.gz MGFHXBGGTNZRIE-FQEVSTJZSA-N 2 2 310.441 3.491 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC000484135090 435538948 /nfs/dbraw/zinc/53/89/48/435538948.db2.gz BOIIJXXOBTTYGF-KSSFIOAISA-N 2 2 304.478 3.231 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000484130053 435538995 /nfs/dbraw/zinc/53/89/95/435538995.db2.gz DHUUUMILWKRMDI-ICSRJNTNSA-N 2 2 318.505 3.202 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163433 435542562 /nfs/dbraw/zinc/54/25/62/435542562.db2.gz FSBLBNYSCKWOTN-WOJBJXKFSA-N 2 2 316.489 3.393 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163433 435542568 /nfs/dbraw/zinc/54/25/68/435542568.db2.gz FSBLBNYSCKWOTN-WOJBJXKFSA-N 2 2 316.489 3.393 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000484479372 435545954 /nfs/dbraw/zinc/54/59/54/435545954.db2.gz WQFJHNNEZADJRS-RTBURBONSA-N 2 2 318.530 3.343 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000649559824 435624061 /nfs/dbraw/zinc/62/40/61/435624061.db2.gz STNALFWYPVPDLA-MRXNPFEDSA-N 2 2 308.853 3.030 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000649559824 435624068 /nfs/dbraw/zinc/62/40/68/435624068.db2.gz STNALFWYPVPDLA-MRXNPFEDSA-N 2 2 308.853 3.030 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000570157804 435594099 /nfs/dbraw/zinc/59/40/99/435594099.db2.gz JCDLZCKZAOMHAA-FQEVSTJZSA-N 2 2 312.457 3.452 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000570157804 435594107 /nfs/dbraw/zinc/59/41/07/435594107.db2.gz JCDLZCKZAOMHAA-FQEVSTJZSA-N 2 2 312.457 3.452 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC34CCCC4)c2cc1C ZINC000649485190 435604263 /nfs/dbraw/zinc/60/42/63/435604263.db2.gz BOISDELBAZDJJJ-MRXNPFEDSA-N 2 2 313.445 3.033 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC34CCCC4)c2cc1C ZINC000649485190 435604268 /nfs/dbraw/zinc/60/42/68/435604268.db2.gz BOISDELBAZDJJJ-MRXNPFEDSA-N 2 2 313.445 3.033 20 0 DGADLP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000570301539 435607201 /nfs/dbraw/zinc/60/72/01/435607201.db2.gz CXPOONPXZNFZLH-IHPCNDPISA-N 2 2 324.472 3.190 20 0 DGADLP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000570301539 435607205 /nfs/dbraw/zinc/60/72/05/435607205.db2.gz CXPOONPXZNFZLH-IHPCNDPISA-N 2 2 324.472 3.190 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)[nH]1 ZINC000570667605 435640150 /nfs/dbraw/zinc/64/01/50/435640150.db2.gz ATCRPYFLOVFARD-ZBFHGGJFSA-N 2 2 319.497 3.061 20 0 DGADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488726066 435641917 /nfs/dbraw/zinc/64/19/17/435641917.db2.gz UWKUNXKVZIGJJP-WWGRRREGSA-N 2 2 301.459 3.463 20 0 DGADLP C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488726066 435641921 /nfs/dbraw/zinc/64/19/21/435641921.db2.gz UWKUNXKVZIGJJP-WWGRRREGSA-N 2 2 301.459 3.463 20 0 DGADLP COc1ccc(C[N@H+](C)CCc2cc[nH+]cc2C)c(OC)c1 ZINC000645772357 435685802 /nfs/dbraw/zinc/68/58/02/435685802.db2.gz UTPRKRYLVPVBKC-UHFFFAOYSA-N 2 2 300.402 3.082 20 0 DGADLP COc1ccc(C[N@@H+](C)CCc2cc[nH+]cc2C)c(OC)c1 ZINC000645772357 435685808 /nfs/dbraw/zinc/68/58/08/435685808.db2.gz UTPRKRYLVPVBKC-UHFFFAOYSA-N 2 2 300.402 3.082 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811393 435697209 /nfs/dbraw/zinc/69/72/09/435697209.db2.gz QLKPVHOEZZTSBD-HNNXBMFYSA-N 2 2 308.416 3.171 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811393 435697214 /nfs/dbraw/zinc/69/72/14/435697214.db2.gz QLKPVHOEZZTSBD-HNNXBMFYSA-N 2 2 308.416 3.171 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC000645811393 435697216 /nfs/dbraw/zinc/69/72/16/435697216.db2.gz QLKPVHOEZZTSBD-HNNXBMFYSA-N 2 2 308.416 3.171 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000645811393 435697223 /nfs/dbraw/zinc/69/72/23/435697223.db2.gz QLKPVHOEZZTSBD-HNNXBMFYSA-N 2 2 308.416 3.171 20 0 DGADLP [NH3+]Cc1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)o1 ZINC000645823380 435700992 /nfs/dbraw/zinc/70/09/92/435700992.db2.gz LBPBXIYZSNJTHP-UHFFFAOYSA-N 2 2 310.357 3.134 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000491028142 435699201 /nfs/dbraw/zinc/69/92/01/435699201.db2.gz CUSFOLDGMYTWMM-BFQNTYOBSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000491028142 435699205 /nfs/dbraw/zinc/69/92/05/435699205.db2.gz CUSFOLDGMYTWMM-BFQNTYOBSA-N 2 2 310.388 3.421 20 0 DGADLP CC(C)(C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000548976178 435731431 /nfs/dbraw/zinc/73/14/31/435731431.db2.gz PFOUQYQRDCIJKC-HNNXBMFYSA-N 2 2 314.395 3.482 20 0 DGADLP CC(C)(C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000548976178 435731439 /nfs/dbraw/zinc/73/14/39/435731439.db2.gz PFOUQYQRDCIJKC-HNNXBMFYSA-N 2 2 314.395 3.482 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655698923 435732530 /nfs/dbraw/zinc/73/25/30/435732530.db2.gz YXIQRNPQAAJCJS-RBUKOAKNSA-N 2 2 320.452 3.366 20 0 DGADLP CC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655703323 435735645 /nfs/dbraw/zinc/73/56/45/435735645.db2.gz FEWISQDIQQRSHH-HTWSVDAQSA-N 2 2 308.510 3.434 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]Cc2ccc3c(c2)CCCC3)CCSC1 ZINC000491373625 435737826 /nfs/dbraw/zinc/73/78/26/435737826.db2.gz JSQACWUINZHJIS-SFHVURJKSA-N 2 2 304.503 3.092 20 0 DGADLP CC1(C)COC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463712 435738852 /nfs/dbraw/zinc/73/88/52/435738852.db2.gz KHFQZIAWYUPSOV-IRXDYDNUSA-N 2 2 302.462 3.054 20 0 DGADLP CC1(C)COC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463712 435738856 /nfs/dbraw/zinc/73/88/56/435738856.db2.gz KHFQZIAWYUPSOV-IRXDYDNUSA-N 2 2 302.462 3.054 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000655719365 435748203 /nfs/dbraw/zinc/74/82/03/435748203.db2.gz RSVRJISYOZOTCK-QGZVFWFLSA-N 2 2 302.466 3.105 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1OC(F)F ZINC000660465091 435763229 /nfs/dbraw/zinc/76/32/29/435763229.db2.gz VSKZPXLWVBYQCA-UHFFFAOYSA-N 2 2 316.367 3.345 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1OC(F)F ZINC000660465091 435763238 /nfs/dbraw/zinc/76/32/38/435763238.db2.gz VSKZPXLWVBYQCA-UHFFFAOYSA-N 2 2 316.367 3.345 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@H+](CC4CC4)C3)c2c1C ZINC000664677315 435761275 /nfs/dbraw/zinc/76/12/75/435761275.db2.gz GUQAISJEHCSVQQ-HNNXBMFYSA-N 2 2 313.449 3.109 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)c2c1C ZINC000664677315 435761284 /nfs/dbraw/zinc/76/12/84/435761284.db2.gz GUQAISJEHCSVQQ-HNNXBMFYSA-N 2 2 313.449 3.109 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C2CC2)c1 ZINC000655771590 435788016 /nfs/dbraw/zinc/78/80/16/435788016.db2.gz NEXCWFOXYQNWDY-YWZLYKJASA-N 2 2 314.473 3.468 20 0 DGADLP c1cc2c(c(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)c1)CCC2 ZINC000651682403 435789618 /nfs/dbraw/zinc/78/96/18/435789618.db2.gz YJJJUVZDRBOGQN-UHFFFAOYSA-N 2 2 321.468 3.325 20 0 DGADLP C[C@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693651 435793221 /nfs/dbraw/zinc/79/32/21/435793221.db2.gz YMVRDCKOKKNHEG-LPHOPBHVSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC2CCC1CC2 ZINC000655780741 435794410 /nfs/dbraw/zinc/79/44/10/435794410.db2.gz GDYAMIJYCVBNTA-XBSBRVCNSA-N 2 2 306.494 3.044 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1F ZINC000655783590 435797334 /nfs/dbraw/zinc/79/73/34/435797334.db2.gz SAZMVEMTBRMZCQ-CRAIPNDOSA-N 2 2 306.425 3.120 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(-c2ccccc2)n1 ZINC000641736246 435806394 /nfs/dbraw/zinc/80/63/94/435806394.db2.gz CRKZSSOMNMLHLG-DNVCBOLYSA-N 2 2 324.472 3.142 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(-c2ccccc2)n1 ZINC000641736246 435806398 /nfs/dbraw/zinc/80/63/98/435806398.db2.gz CRKZSSOMNMLHLG-DNVCBOLYSA-N 2 2 324.472 3.142 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000550887392 435814033 /nfs/dbraw/zinc/81/40/33/435814033.db2.gz PTCWMNBDHDWUFH-ZYSHUDEJSA-N 2 2 304.478 3.399 20 0 DGADLP CSc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660472043 435765256 /nfs/dbraw/zinc/76/52/56/435765256.db2.gz BIBJRHZTBUYUDW-KRWDZBQOSA-N 2 2 320.502 3.095 20 0 DGADLP CSc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660472043 435765264 /nfs/dbraw/zinc/76/52/64/435765264.db2.gz BIBJRHZTBUYUDW-KRWDZBQOSA-N 2 2 320.502 3.095 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474955 435765577 /nfs/dbraw/zinc/76/55/77/435765577.db2.gz SEVFQDBHRWQFGC-QZTJIDSGSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474955 435765583 /nfs/dbraw/zinc/76/55/83/435765583.db2.gz SEVFQDBHRWQFGC-QZTJIDSGSA-N 2 2 302.462 3.243 20 0 DGADLP C(=C/c1ccccc1)\CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474623 435767024 /nfs/dbraw/zinc/76/70/24/435767024.db2.gz KMSJSZMSYSRNKP-CWFIWJMMSA-N 2 2 314.473 3.277 20 0 DGADLP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474623 435767031 /nfs/dbraw/zinc/76/70/31/435767031.db2.gz KMSJSZMSYSRNKP-CWFIWJMMSA-N 2 2 314.473 3.277 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472864 435767904 /nfs/dbraw/zinc/76/79/04/435767904.db2.gz AAYOOEWEEHNIAJ-HXUWFJFHSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472864 435767909 /nfs/dbraw/zinc/76/79/09/435767909.db2.gz AAYOOEWEEHNIAJ-HXUWFJFHSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)o1 ZINC000660479145 435768555 /nfs/dbraw/zinc/76/85/55/435768555.db2.gz FHNZUEZSQXIHFR-HNNXBMFYSA-N 2 2 314.433 3.204 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)o1 ZINC000660479145 435768562 /nfs/dbraw/zinc/76/85/62/435768562.db2.gz FHNZUEZSQXIHFR-HNNXBMFYSA-N 2 2 314.433 3.204 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481597 435769959 /nfs/dbraw/zinc/76/99/59/435769959.db2.gz RXRSLUVARGBWOU-SJLPKXTDSA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000660481597 435769966 /nfs/dbraw/zinc/76/99/66/435769966.db2.gz RXRSLUVARGBWOU-SJLPKXTDSA-N 2 2 317.477 3.214 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1(CO)CC=CC1 ZINC000646083280 435775477 /nfs/dbraw/zinc/77/54/77/435775477.db2.gz UCBHSLVGDQGANA-LJQANCHMSA-N 2 2 316.489 3.061 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1(CO)CC=CC1 ZINC000646083280 435775486 /nfs/dbraw/zinc/77/54/86/435775486.db2.gz UCBHSLVGDQGANA-LJQANCHMSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCOc1ccccc1F ZINC000572127580 435784385 /nfs/dbraw/zinc/78/43/85/435784385.db2.gz KGUOIRRHUIIGRV-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCOc1ccccc1F ZINC000572127580 435784387 /nfs/dbraw/zinc/78/43/87/435784387.db2.gz KGUOIRRHUIIGRV-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000641804365 435828484 /nfs/dbraw/zinc/82/84/84/435828484.db2.gz YZWOPPUHICQDOC-KBPBESRZSA-N 2 2 305.422 3.165 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cnc(-c3ccccc3)nc2)[C@H]1C ZINC000641807645 435829810 /nfs/dbraw/zinc/82/98/10/435829810.db2.gz LQQNVJLMVNGQCI-VKJFTORMSA-N 2 2 310.445 3.091 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@H]1C ZINC000641807645 435829815 /nfs/dbraw/zinc/82/98/15/435829815.db2.gz LQQNVJLMVNGQCI-VKJFTORMSA-N 2 2 310.445 3.091 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cn2)[C@@H]1C ZINC000641809258 435830953 /nfs/dbraw/zinc/83/09/53/435830953.db2.gz QFNGLARZGKCKQO-GYSYKLTISA-N 2 2 301.356 3.048 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@@H]1C ZINC000641809258 435830958 /nfs/dbraw/zinc/83/09/58/435830958.db2.gz QFNGLARZGKCKQO-GYSYKLTISA-N 2 2 301.356 3.048 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000655836150 435831394 /nfs/dbraw/zinc/83/13/94/435831394.db2.gz DDXFVKQBXYYDCP-MBOZVWFJSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000655836150 435831399 /nfs/dbraw/zinc/83/13/99/435831399.db2.gz DDXFVKQBXYYDCP-MBOZVWFJSA-N 2 2 309.457 3.265 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655847394 435838749 /nfs/dbraw/zinc/83/87/49/435838749.db2.gz AQQUQAKZKPKMPZ-CEXWTWQISA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655847394 435838753 /nfs/dbraw/zinc/83/87/53/435838753.db2.gz AQQUQAKZKPKMPZ-CEXWTWQISA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCO2 ZINC000655848361 435840355 /nfs/dbraw/zinc/84/03/55/435840355.db2.gz ICBATVPXJICFFE-IMJJTQAJSA-N 2 2 302.418 3.083 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCO2 ZINC000655848361 435840361 /nfs/dbraw/zinc/84/03/61/435840361.db2.gz ICBATVPXJICFFE-IMJJTQAJSA-N 2 2 302.418 3.083 20 0 DGADLP CC(C)c1cc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000551589730 435842786 /nfs/dbraw/zinc/84/27/86/435842786.db2.gz FNOYSWXXBLMFSO-BBRMVZONSA-N 2 2 302.466 3.040 20 0 DGADLP CC(C)c1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000551589730 435842792 /nfs/dbraw/zinc/84/27/92/435842792.db2.gz FNOYSWXXBLMFSO-BBRMVZONSA-N 2 2 302.466 3.040 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000655856729 435844375 /nfs/dbraw/zinc/84/43/75/435844375.db2.gz OXBMBQZKIIIOPV-QZTJIDSGSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000655856729 435844381 /nfs/dbraw/zinc/84/43/81/435844381.db2.gz OXBMBQZKIIIOPV-QZTJIDSGSA-N 2 2 316.493 3.033 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655854914 435844854 /nfs/dbraw/zinc/84/48/54/435844854.db2.gz ADVIUBHWYDSZIW-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000655854914 435844859 /nfs/dbraw/zinc/84/48/59/435844859.db2.gz ADVIUBHWYDSZIW-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660860 435847144 /nfs/dbraw/zinc/84/71/44/435847144.db2.gz AZKKSBQZOQIHER-FQEVSTJZSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660860 435847150 /nfs/dbraw/zinc/84/71/50/435847150.db2.gz AZKKSBQZOQIHER-FQEVSTJZSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660860 435847154 /nfs/dbraw/zinc/84/71/54/435847154.db2.gz AZKKSBQZOQIHER-FQEVSTJZSA-N 3 2 324.472 3.098 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000660660726 435849235 /nfs/dbraw/zinc/84/92/35/435849235.db2.gz AMOXNNWFFMNYJG-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000660660726 435849239 /nfs/dbraw/zinc/84/92/39/435849239.db2.gz AMOXNNWFFMNYJG-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC000660660726 435849248 /nfs/dbraw/zinc/84/92/48/435849248.db2.gz AMOXNNWFFMNYJG-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC000660660726 435849254 /nfs/dbraw/zinc/84/92/54/435849254.db2.gz AMOXNNWFFMNYJG-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699604 435850068 /nfs/dbraw/zinc/85/00/68/435850068.db2.gz IYJTZFBQCOLUKB-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699604 435850073 /nfs/dbraw/zinc/85/00/73/435850073.db2.gz IYJTZFBQCOLUKB-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@H](C)[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699604 435850076 /nfs/dbraw/zinc/85/00/76/435850076.db2.gz IYJTZFBQCOLUKB-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@H](C)[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699604 435850080 /nfs/dbraw/zinc/85/00/80/435850080.db2.gz IYJTZFBQCOLUKB-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP FC1(F)C(F)(F)C12CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC000651900863 435858605 /nfs/dbraw/zinc/85/86/05/435858605.db2.gz MONKMYCJSSYUSL-UHFFFAOYSA-N 2 2 313.298 3.201 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000551887412 435858816 /nfs/dbraw/zinc/85/88/16/435858816.db2.gz QGZGIBHNZDYLJV-ZDUSSCGKSA-N 2 2 320.868 3.047 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000551887412 435858818 /nfs/dbraw/zinc/85/88/18/435858818.db2.gz QGZGIBHNZDYLJV-ZDUSSCGKSA-N 2 2 320.868 3.047 20 0 DGADLP C[NH+]1CCC(CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000642113268 435860156 /nfs/dbraw/zinc/86/01/56/435860156.db2.gz UNZPGTXPVXKDLX-UHFFFAOYSA-N 2 2 313.380 3.004 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H]1CC[NH+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910054 435860362 /nfs/dbraw/zinc/86/03/62/435860362.db2.gz FQVRGIWAVGOKOG-MJGOQNOKSA-N 3 2 309.542 3.351 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H]1CC[NH+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910054 435860368 /nfs/dbraw/zinc/86/03/68/435860368.db2.gz FQVRGIWAVGOKOG-MJGOQNOKSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910054 435860374 /nfs/dbraw/zinc/86/03/74/435860374.db2.gz FQVRGIWAVGOKOG-MJGOQNOKSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)C1CCCCC1 ZINC000651910054 435860379 /nfs/dbraw/zinc/86/03/79/435860379.db2.gz FQVRGIWAVGOKOG-MJGOQNOKSA-N 3 2 309.542 3.351 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000660697064 435863107 /nfs/dbraw/zinc/86/31/07/435863107.db2.gz VFXQPEPMGNPBDZ-UHFFFAOYSA-N 2 2 316.445 3.005 20 0 DGADLP Fc1cccc(F)c1CCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000655937568 435864754 /nfs/dbraw/zinc/86/47/54/435864754.db2.gz AJBLIUZUFVYLPG-UHFFFAOYSA-N 2 2 308.416 3.361 20 0 DGADLP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651912729 435865089 /nfs/dbraw/zinc/86/50/89/435865089.db2.gz COMHTGCLXNCTCJ-HIFRSBDPSA-N 2 2 305.447 3.323 20 0 DGADLP CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651912729 435865094 /nfs/dbraw/zinc/86/50/94/435865094.db2.gz COMHTGCLXNCTCJ-HIFRSBDPSA-N 2 2 305.447 3.323 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CO1 ZINC000651912731 435865768 /nfs/dbraw/zinc/86/57/68/435865768.db2.gz COMHTGCLXNCTCJ-ZFWWWQNUSA-N 2 2 305.447 3.323 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CO1 ZINC000651912731 435865773 /nfs/dbraw/zinc/86/57/73/435865773.db2.gz COMHTGCLXNCTCJ-ZFWWWQNUSA-N 2 2 305.447 3.323 20 0 DGADLP C[N@@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642179635 435867101 /nfs/dbraw/zinc/86/71/01/435867101.db2.gz UZESXKWJJWEGIA-NSHDSACASA-N 2 2 313.380 3.004 20 0 DGADLP C[N@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642179635 435867110 /nfs/dbraw/zinc/86/71/10/435867110.db2.gz UZESXKWJJWEGIA-NSHDSACASA-N 2 2 313.380 3.004 20 0 DGADLP c1c[nH]c([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCCC2)n1 ZINC000552034435 435873326 /nfs/dbraw/zinc/87/33/26/435873326.db2.gz UPBRUQCPXNKQCL-MRXNPFEDSA-N 2 2 301.438 3.298 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cs1 ZINC000641802569 435826955 /nfs/dbraw/zinc/82/69/55/435826955.db2.gz MWABDIVTSSGGOK-GJZGRUSLSA-N 2 2 317.458 3.034 20 0 DGADLP COc1c(C)[nH+]cnc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000656134752 435899449 /nfs/dbraw/zinc/89/94/49/435899449.db2.gz HUKXEIQHHSCYQV-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP c1cn(CCC[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c[nH+]1 ZINC000660855467 435908393 /nfs/dbraw/zinc/90/83/93/435908393.db2.gz AQWGLFWSASXWDD-UHFFFAOYSA-N 2 2 323.444 3.104 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](CC4CCOCC4)CC3)[nH]c2c1 ZINC000660853692 435908650 /nfs/dbraw/zinc/90/86/50/435908650.db2.gz FJGPBZBCPXHOBF-UHFFFAOYSA-N 2 2 313.445 3.244 20 0 DGADLP COCCCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660854422 435909614 /nfs/dbraw/zinc/90/96/14/435909614.db2.gz WGNUEBTXUIMICZ-UHFFFAOYSA-N 2 2 301.434 3.244 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CO1 ZINC000660858533 435911428 /nfs/dbraw/zinc/91/14/28/435911428.db2.gz NCYMDJOFZADFRN-HNNXBMFYSA-N 2 2 313.445 3.385 20 0 DGADLP COc1cccc(OC)c1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665238174 435925495 /nfs/dbraw/zinc/92/54/95/435925495.db2.gz SIOIKYUKPHBOSS-LSDHHAIUSA-N 2 2 306.450 3.104 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)[C@H]1CCCC[NH2+]1 ZINC000665244557 435925827 /nfs/dbraw/zinc/92/58/27/435925827.db2.gz QLZFTOHYECPSTQ-HZPDHXFCSA-N 2 2 306.425 3.377 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cscn1 ZINC000665240840 435926519 /nfs/dbraw/zinc/92/65/19/435926519.db2.gz UAMWSASKNFNEPZ-QEORTHHSSA-N 2 2 315.442 3.050 20 0 DGADLP CC(C)C[N@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000652222020 435926796 /nfs/dbraw/zinc/92/67/96/435926796.db2.gz CQGMNZDKMNMBTI-QGZVFWFLSA-N 2 2 318.440 3.206 20 0 DGADLP CC(C)C[N@@H+](C)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000652222020 435926799 /nfs/dbraw/zinc/92/67/99/435926799.db2.gz CQGMNZDKMNMBTI-QGZVFWFLSA-N 2 2 318.440 3.206 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1c[nH+]ccc1N ZINC000665243993 435926985 /nfs/dbraw/zinc/92/69/85/435926985.db2.gz CUIAAHJGKNIUIB-LLVKDONJSA-N 2 2 301.365 3.025 20 0 DGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCC(F)(F)F)cc1 ZINC000665277986 435936719 /nfs/dbraw/zinc/93/67/19/435936719.db2.gz RNYIZCCMUMPNOC-XIKARTHZSA-N 2 2 314.351 3.030 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3C[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000660932204 435927610 /nfs/dbraw/zinc/92/76/10/435927610.db2.gz WATXEOJJYLRYCH-ICSRJNTNSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3C[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000660932204 435927614 /nfs/dbraw/zinc/92/76/14/435927614.db2.gz WATXEOJJYLRYCH-ICSRJNTNSA-N 2 2 313.489 3.073 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250601 435927915 /nfs/dbraw/zinc/92/79/15/435927915.db2.gz WYLSQNSTQWKRBV-PWIZWCRZSA-N 2 2 324.468 3.362 20 0 DGADLP c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]cc1C1CCC1 ZINC000656262945 435928330 /nfs/dbraw/zinc/92/83/30/435928330.db2.gz WBIZBTQCNOHEEI-SFHVURJKSA-N 2 2 315.461 3.404 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1Cl ZINC000665248765 435928800 /nfs/dbraw/zinc/92/88/00/435928800.db2.gz BXBUBGTYSFKQMX-NSHDSACASA-N 2 2 312.841 3.279 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250473 435929289 /nfs/dbraw/zinc/92/92/89/435929289.db2.gz RZKFFIKOGXSVDP-NSISKUIASA-N 2 2 322.452 3.418 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccoc1 ZINC000665253047 435930467 /nfs/dbraw/zinc/93/04/67/435930467.db2.gz DOYIQZVSFDXMAN-FABXCBLPSA-N 2 2 306.356 3.354 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H](C)c1nccnc1C)C1CCCCC1 ZINC000652238149 435931096 /nfs/dbraw/zinc/93/10/96/435931096.db2.gz VFHAFFZLPIJLTL-HNNXBMFYSA-N 2 2 304.482 3.480 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1nccnc1C)C1CCCCC1 ZINC000652238149 435931099 /nfs/dbraw/zinc/93/10/99/435931099.db2.gz VFHAFFZLPIJLTL-HNNXBMFYSA-N 2 2 304.482 3.480 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257242 435932666 /nfs/dbraw/zinc/93/26/66/435932666.db2.gz CZVRHLCYIHONOC-KZNAEPCWSA-N 2 2 308.441 3.066 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652356189 435958459 /nfs/dbraw/zinc/95/84/59/435958459.db2.gz VVIAVRXILQUGDR-XJKSGUPXSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652356189 435958463 /nfs/dbraw/zinc/95/84/63/435958463.db2.gz VVIAVRXILQUGDR-XJKSGUPXSA-N 2 2 318.440 3.145 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)[C@@H]1CC[NH3+] ZINC000652355840 435958676 /nfs/dbraw/zinc/95/86/76/435958676.db2.gz JQRPQONFUVJIBV-CHWSQXEVSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)[C@@H]1CC[NH3+] ZINC000652355840 435958680 /nfs/dbraw/zinc/95/86/80/435958680.db2.gz JQRPQONFUVJIBV-CHWSQXEVSA-N 2 2 305.447 3.352 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CCC(F)(F)CC2)Cc2ccccc2C1 ZINC000647186293 435965335 /nfs/dbraw/zinc/96/53/35/435965335.db2.gz JFMCOPLQZZKQMA-UHFFFAOYSA-N 2 2 308.416 3.253 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280957 435937098 /nfs/dbraw/zinc/93/70/98/435937098.db2.gz GBUPWWYVDHXFMQ-WDSOQIARSA-N 2 2 306.494 3.166 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280957 435937102 /nfs/dbraw/zinc/93/71/02/435937102.db2.gz GBUPWWYVDHXFMQ-WDSOQIARSA-N 2 2 306.494 3.166 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283929 435941445 /nfs/dbraw/zinc/94/14/45/435941445.db2.gz XLPTVTCCWHXRFP-QWHCGFSZSA-N 2 2 302.340 3.177 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000665296622 435941946 /nfs/dbraw/zinc/94/19/46/435941946.db2.gz VPAAYBGLXPFVTH-JSGCOSHPSA-N 2 2 301.459 3.385 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000665296512 435942307 /nfs/dbraw/zinc/94/23/07/435942307.db2.gz UBSAGPXFYPBRQQ-CABCVRRESA-N 2 2 300.450 3.056 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000665296509 435942519 /nfs/dbraw/zinc/94/25/19/435942519.db2.gz UAGXRAFBIKNWNV-NWDGAFQWSA-N 2 2 306.841 3.093 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000665296892 435943182 /nfs/dbraw/zinc/94/31/82/435943182.db2.gz ZHXOZNXZDIDYKU-LZWOXQAQSA-N 2 2 324.440 3.032 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000656461424 435951954 /nfs/dbraw/zinc/95/19/54/435951954.db2.gz UMGJSCYTUVYKFE-INIZCTEOSA-N 2 2 308.429 3.324 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000656461424 435951959 /nfs/dbraw/zinc/95/19/59/435951959.db2.gz UMGJSCYTUVYKFE-INIZCTEOSA-N 2 2 308.429 3.324 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)o1 ZINC000652352427 435956371 /nfs/dbraw/zinc/95/63/71/435956371.db2.gz VWWJJFGVJFFEFU-GUYCJALGSA-N 2 2 317.458 3.272 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)o1 ZINC000652352427 435956374 /nfs/dbraw/zinc/95/63/74/435956374.db2.gz VWWJJFGVJFFEFU-GUYCJALGSA-N 2 2 317.458 3.272 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000650711342 435999024 /nfs/dbraw/zinc/99/90/24/435999024.db2.gz QFPDQLZAYLAFRZ-RISCZKNCSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000650711342 435999031 /nfs/dbraw/zinc/99/90/31/435999031.db2.gz QFPDQLZAYLAFRZ-RISCZKNCSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650716158 436003706 /nfs/dbraw/zinc/00/37/06/436003706.db2.gz TZOXUFCGNMSTSE-LKUPVBHCSA-N 2 2 321.468 3.133 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650716158 436003709 /nfs/dbraw/zinc/00/37/09/436003709.db2.gz TZOXUFCGNMSTSE-LKUPVBHCSA-N 2 2 321.468 3.133 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000650719597 436004174 /nfs/dbraw/zinc/00/41/74/436004174.db2.gz VMOIGTRSEDBRRZ-LAUBAEHRSA-N 3 2 323.484 3.016 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000650719597 436004176 /nfs/dbraw/zinc/00/41/76/436004176.db2.gz VMOIGTRSEDBRRZ-LAUBAEHRSA-N 3 2 323.484 3.016 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC(F)(F)CC3)[nH+]c2)C1 ZINC000647297508 436005997 /nfs/dbraw/zinc/00/59/97/436005997.db2.gz HTOPKDBGLQQGMX-OAHLLOKOSA-N 2 2 324.419 3.212 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693617 436014475 /nfs/dbraw/zinc/01/44/75/436014475.db2.gz BVKCASZIHLAFSR-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693617 436014481 /nfs/dbraw/zinc/01/44/81/436014481.db2.gz BVKCASZIHLAFSR-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693617 436014485 /nfs/dbraw/zinc/01/44/85/436014485.db2.gz BVKCASZIHLAFSR-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000656693617 436014490 /nfs/dbraw/zinc/01/44/90/436014490.db2.gz BVKCASZIHLAFSR-DLBZAZTESA-N 2 2 310.869 3.178 20 0 DGADLP COc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000647329356 436017453 /nfs/dbraw/zinc/01/74/53/436017453.db2.gz NBLKNVVOOACGSY-UHFFFAOYSA-N 2 2 300.446 3.148 20 0 DGADLP Cc1cc[nH+]cc1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000656750825 436024359 /nfs/dbraw/zinc/02/43/59/436024359.db2.gz ASMRCNATDFNETP-UHFFFAOYSA-N 2 2 308.385 3.092 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C3CCSCC3)cn21 ZINC000647364068 436031703 /nfs/dbraw/zinc/03/17/03/436031703.db2.gz RAJRSESWGTVUBV-AWEZNQCLSA-N 2 2 303.475 3.307 20 0 DGADLP CCOc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1OCC(C)C ZINC000656783817 436043142 /nfs/dbraw/zinc/04/31/42/436043142.db2.gz UWTXAGXIIMHCMD-UHFFFAOYSA-N 2 2 308.466 3.289 20 0 DGADLP CCOc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1OCC(C)C ZINC000656783817 436043145 /nfs/dbraw/zinc/04/31/45/436043145.db2.gz UWTXAGXIIMHCMD-UHFFFAOYSA-N 2 2 308.466 3.289 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656785705 436044963 /nfs/dbraw/zinc/04/49/63/436044963.db2.gz INUARMJSEJRWDQ-OAQYLSRUSA-N 3 2 323.484 3.245 20 0 DGADLP Fc1cc(F)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000656789428 436046973 /nfs/dbraw/zinc/04/69/73/436046973.db2.gz YXKBGFPKXZWNIP-QZTJIDSGSA-N 2 2 302.368 3.200 20 0 DGADLP COc1ccccc1/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789261 436047307 /nfs/dbraw/zinc/04/73/07/436047307.db2.gz UXDGJJAEQXMYOW-DGDLXGGDSA-N 2 2 322.452 3.444 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000647281398 435997370 /nfs/dbraw/zinc/99/73/70/435997370.db2.gz MHCXFMWCAAOINU-LNLFQRSKSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056512 436101142 /nfs/dbraw/zinc/10/11/42/436101142.db2.gz KLUHYDPGOXDGGP-INIZCTEOSA-N 2 2 305.466 3.151 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479600 436059466 /nfs/dbraw/zinc/05/94/66/436059466.db2.gz MNNPACDBHVJSKR-JSGCOSHPSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479600 436059472 /nfs/dbraw/zinc/05/94/72/436059472.db2.gz MNNPACDBHVJSKR-JSGCOSHPSA-N 2 2 313.367 3.064 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480631 436059622 /nfs/dbraw/zinc/05/96/22/436059622.db2.gz VRQWOARQUUNREJ-YLJYHZDGSA-N 2 2 324.472 3.145 20 0 DGADLP c1cc(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488595 436064468 /nfs/dbraw/zinc/06/44/68/436064468.db2.gz FQSSZKOMTAEACP-RTBURBONSA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488595 436064472 /nfs/dbraw/zinc/06/44/72/436064472.db2.gz FQSSZKOMTAEACP-RTBURBONSA-N 2 2 314.473 3.161 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH+]2CCC([NH2+]C)CC2)ccc1OC ZINC000647495582 436065430 /nfs/dbraw/zinc/06/54/30/436065430.db2.gz MBGJMAUEOPARKQ-CQSZACIVSA-N 2 2 306.450 3.056 20 0 DGADLP c1[nH+]c2ccccn2c1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000647493777 436066033 /nfs/dbraw/zinc/06/60/33/436066033.db2.gz LQRGWWWZMYEEDO-SFHVURJKSA-N 2 2 320.440 3.089 20 0 DGADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc2cnccc2c1 ZINC000647540206 436075425 /nfs/dbraw/zinc/07/54/25/436075425.db2.gz AQGYQZYKGAETBK-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc2cnccc2c1 ZINC000647540206 436075428 /nfs/dbraw/zinc/07/54/28/436075428.db2.gz AQGYQZYKGAETBK-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP COc1cccc(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)c1OC1CCCC1 ZINC000647548648 436081692 /nfs/dbraw/zinc/08/16/92/436081692.db2.gz MSOMJXLPATVISW-GOEBONIOSA-N 2 2 318.461 3.104 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OC(C)C ZINC000647554123 436082431 /nfs/dbraw/zinc/08/24/31/436082431.db2.gz RLJUPALDIWLYRF-SFHVURJKSA-N 2 2 318.461 3.247 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OC(C)C ZINC000647554122 436083530 /nfs/dbraw/zinc/08/35/30/436083530.db2.gz RLJUPALDIWLYRF-GOSISDBHSA-N 2 2 318.461 3.247 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)[nH+]1 ZINC000653179823 436127836 /nfs/dbraw/zinc/12/78/36/436127836.db2.gz KMBWJZOKASJWMO-HNNXBMFYSA-N 2 2 313.405 3.072 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(OC(F)F)c1 ZINC000657310709 436129311 /nfs/dbraw/zinc/12/93/11/436129311.db2.gz RNLLOENJIAAKOU-LLVKDONJSA-N 2 2 307.344 3.282 20 0 DGADLP Fc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1OC(F)F ZINC000657306910 436129597 /nfs/dbraw/zinc/12/95/97/436129597.db2.gz BLAKUYSRCVCVQZ-NSHDSACASA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1OC(F)F ZINC000657306910 436129599 /nfs/dbraw/zinc/12/95/99/436129599.db2.gz BLAKUYSRCVCVQZ-NSHDSACASA-N 2 2 314.351 3.001 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCNc1[nH+]ccc2[nH]ccc21 ZINC000647848682 436134405 /nfs/dbraw/zinc/13/44/05/436134405.db2.gz NOPWPOZIDFNJNS-UHFFFAOYSA-N 2 2 305.385 3.145 20 0 DGADLP C[N@H+](CCC[NH3+])[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000647848156 436134654 /nfs/dbraw/zinc/13/46/54/436134654.db2.gz HTDCXGQKRHRLAG-QGZVFWFLSA-N 2 2 322.412 3.107 20 0 DGADLP C[N@@H+](CCC[NH3+])[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000647848156 436134658 /nfs/dbraw/zinc/13/46/58/436134658.db2.gz HTDCXGQKRHRLAG-QGZVFWFLSA-N 2 2 322.412 3.107 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc[nH+]c(N)c2)cc1F ZINC000661658559 436136079 /nfs/dbraw/zinc/13/60/79/436136079.db2.gz DPLWCUDWWPDVDF-HNNXBMFYSA-N 2 2 301.365 3.149 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2cc[nH+]c(N)c2)cc1F ZINC000661658559 436136088 /nfs/dbraw/zinc/13/60/88/436136088.db2.gz DPLWCUDWWPDVDF-HNNXBMFYSA-N 2 2 301.365 3.149 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1cc(Cl)ccc1OC(F)F)C1CC1 ZINC000647867332 436136788 /nfs/dbraw/zinc/13/67/88/436136788.db2.gz AKUSPQRQKXFWRD-CQSZACIVSA-N 2 2 304.768 3.158 20 0 DGADLP CC(C)n1ccnc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000657329996 436139341 /nfs/dbraw/zinc/13/93/41/436139341.db2.gz YSBKZFQPENDOJO-UHFFFAOYSA-N 2 2 313.380 3.079 20 0 DGADLP Clc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657327948 436140012 /nfs/dbraw/zinc/14/00/12/436140012.db2.gz NSVPQVCAMJAOEK-AWEZNQCLSA-N 2 2 303.793 3.096 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000666083501 436141222 /nfs/dbraw/zinc/14/12/22/436141222.db2.gz HRACOUXASWUBOC-HNNXBMFYSA-N 2 2 303.837 3.464 20 0 DGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903489 436145822 /nfs/dbraw/zinc/14/58/22/436145822.db2.gz KHCWAPZBPGZHNC-SUMWQHHRSA-N 2 2 310.844 3.486 20 0 DGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903489 436145826 /nfs/dbraw/zinc/14/58/26/436145826.db2.gz KHCWAPZBPGZHNC-SUMWQHHRSA-N 2 2 310.844 3.486 20 0 DGADLP CO[C@@](C)(C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000647911734 436148575 /nfs/dbraw/zinc/14/85/75/436148575.db2.gz ILJIRIROPZHMLO-KXBFYZLASA-N 2 2 317.477 3.012 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653113429 436113236 /nfs/dbraw/zinc/11/32/36/436113236.db2.gz BRJMXAITNXFTOE-CQSZACIVSA-N 2 2 311.385 3.202 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120686 436113562 /nfs/dbraw/zinc/11/35/62/436113562.db2.gz XARJTNVCBWEDPQ-ROUUACIJSA-N 2 2 323.396 3.343 20 0 DGADLP Fc1ccc(SCCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657291369 436117199 /nfs/dbraw/zinc/11/71/99/436117199.db2.gz QSZSXENOXWHRHT-UHFFFAOYSA-N 2 2 305.422 3.240 20 0 DGADLP COc1ccc2ccccc2c1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657298915 436123027 /nfs/dbraw/zinc/12/30/27/436123027.db2.gz QDPRLGFYTBYGPK-UHFFFAOYSA-N 2 2 307.397 3.281 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccnc(Oc3ccccc3)c1)CCC2 ZINC000657306524 436124871 /nfs/dbraw/zinc/12/48/71/436124871.db2.gz LQQHPIJNIUDKMB-UHFFFAOYSA-N 2 2 320.396 3.306 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957453 436159282 /nfs/dbraw/zinc/15/92/82/436159282.db2.gz UCAQLRJZCAKFJR-ZDUSSCGKSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957453 436159287 /nfs/dbraw/zinc/15/92/87/436159287.db2.gz UCAQLRJZCAKFJR-ZDUSSCGKSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957453 436159291 /nfs/dbraw/zinc/15/92/91/436159291.db2.gz UCAQLRJZCAKFJR-ZDUSSCGKSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000647957453 436159293 /nfs/dbraw/zinc/15/92/93/436159293.db2.gz UCAQLRJZCAKFJR-ZDUSSCGKSA-N 2 2 319.276 3.126 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657365890 436161642 /nfs/dbraw/zinc/16/16/42/436161642.db2.gz KFWOLNBIRWPBTK-MRXNPFEDSA-N 2 2 324.472 3.145 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968004 436165093 /nfs/dbraw/zinc/16/50/93/436165093.db2.gz INAVYZDMIVWCHX-VQIMIIECSA-N 2 2 315.461 3.008 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968004 436165095 /nfs/dbraw/zinc/16/50/95/436165095.db2.gz INAVYZDMIVWCHX-VQIMIIECSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968004 436165097 /nfs/dbraw/zinc/16/50/97/436165097.db2.gz INAVYZDMIVWCHX-VQIMIIECSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968004 436165100 /nfs/dbraw/zinc/16/51/00/436165100.db2.gz INAVYZDMIVWCHX-VQIMIIECSA-N 2 2 315.461 3.008 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647990424 436168823 /nfs/dbraw/zinc/16/88/23/436168823.db2.gz ZQAKCMLYQBMVML-JTQLQIEISA-N 2 2 317.658 3.144 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647990424 436168828 /nfs/dbraw/zinc/16/88/28/436168828.db2.gz ZQAKCMLYQBMVML-JTQLQIEISA-N 2 2 317.658 3.144 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1cc(C(F)(F)F)nn1C)C(C)C ZINC000657383570 436169856 /nfs/dbraw/zinc/16/98/56/436169856.db2.gz QOPYUSAAUAXFJZ-UHFFFAOYSA-N 2 2 320.403 3.037 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657396076 436179644 /nfs/dbraw/zinc/17/96/44/436179644.db2.gz FZBINBFCBFIWGA-AWEZNQCLSA-N 3 2 321.428 3.174 20 0 DGADLP CCOc1cc(C)ccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657393193 436175732 /nfs/dbraw/zinc/17/57/32/436175732.db2.gz OSHUFCYHDBHDFK-UHFFFAOYSA-N 2 2 322.412 3.264 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnn1CC(C)C ZINC000648035363 436187717 /nfs/dbraw/zinc/18/77/17/436187717.db2.gz ABKDUDPVSDZQTB-UHFFFAOYSA-N 2 2 317.481 3.210 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnn1CC(C)C ZINC000648035363 436187720 /nfs/dbraw/zinc/18/77/20/436187720.db2.gz ABKDUDPVSDZQTB-UHFFFAOYSA-N 2 2 317.481 3.210 20 0 DGADLP Cc1c[nH]c(CNc2ccc(C[NH+]3CCSCC3)cc2C)[nH+]1 ZINC000657406701 436183098 /nfs/dbraw/zinc/18/30/98/436183098.db2.gz BTSXKUSWXNMSRW-UHFFFAOYSA-N 2 2 316.474 3.187 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccccc2)n1 ZINC000657524844 436235357 /nfs/dbraw/zinc/23/53/57/436235357.db2.gz MOZQBIFHEOYHLZ-QGZVFWFLSA-N 2 2 312.461 3.050 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2ccccc2)n1 ZINC000657524844 436235360 /nfs/dbraw/zinc/23/53/60/436235360.db2.gz MOZQBIFHEOYHLZ-QGZVFWFLSA-N 2 2 312.461 3.050 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2ccccc2)n1 ZINC000657524843 436235606 /nfs/dbraw/zinc/23/56/06/436235606.db2.gz MOZQBIFHEOYHLZ-KRWDZBQOSA-N 2 2 312.461 3.050 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(-c2ccccc2)n1 ZINC000657524843 436235610 /nfs/dbraw/zinc/23/56/10/436235610.db2.gz MOZQBIFHEOYHLZ-KRWDZBQOSA-N 2 2 312.461 3.050 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000648038575 436190532 /nfs/dbraw/zinc/19/05/32/436190532.db2.gz AZVVETFFJNJRCR-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000648038575 436190535 /nfs/dbraw/zinc/19/05/35/436190535.db2.gz AZVVETFFJNJRCR-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cn1 ZINC000648038575 436190538 /nfs/dbraw/zinc/19/05/38/436190538.db2.gz AZVVETFFJNJRCR-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cn1 ZINC000648038575 436190542 /nfs/dbraw/zinc/19/05/42/436190542.db2.gz AZVVETFFJNJRCR-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1Br ZINC000657444820 436205723 /nfs/dbraw/zinc/20/57/23/436205723.db2.gz OVLRSMGCKOCMTF-UHFFFAOYSA-N 2 2 320.234 3.190 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)Cc3ccc(O)cc3)cn21 ZINC000648078869 436207052 /nfs/dbraw/zinc/20/70/52/436207052.db2.gz SQZCYQOBHMAOBU-AWEZNQCLSA-N 2 2 309.413 3.112 20 0 DGADLP C[NH+](C)Cc1cc(NCc2c[nH+]c3n2CCC3)ccc1Cl ZINC000657455397 436209765 /nfs/dbraw/zinc/20/97/65/436209765.db2.gz IUPLQDMDEZDVPV-UHFFFAOYSA-N 2 2 304.825 3.156 20 0 DGADLP Clc1ccc2c(ccn2CC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657461762 436211899 /nfs/dbraw/zinc/21/18/99/436211899.db2.gz ZNSHHVNWFQVOPW-UHFFFAOYSA-N 2 2 314.820 3.227 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000657470026 436215476 /nfs/dbraw/zinc/21/54/76/436215476.db2.gz MCMBNQFQFJJQCW-HNNXBMFYSA-N 2 2 324.453 3.489 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000657470026 436215479 /nfs/dbraw/zinc/21/54/79/436215479.db2.gz MCMBNQFQFJJQCW-HNNXBMFYSA-N 2 2 324.453 3.489 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590681 436217875 /nfs/dbraw/zinc/21/78/75/436217875.db2.gz VQSHJHWKYVBGDL-ZWKOTPCHSA-N 2 2 313.445 3.376 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590681 436217880 /nfs/dbraw/zinc/21/78/80/436217880.db2.gz VQSHJHWKYVBGDL-ZWKOTPCHSA-N 2 2 313.445 3.376 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000657499833 436230191 /nfs/dbraw/zinc/23/01/91/436230191.db2.gz DTJCKKNMQWWLDZ-UHFFFAOYSA-N 2 2 319.497 3.137 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000657499833 436230195 /nfs/dbraw/zinc/23/01/95/436230195.db2.gz DTJCKKNMQWWLDZ-UHFFFAOYSA-N 2 2 319.497 3.137 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653688918 436244073 /nfs/dbraw/zinc/24/40/73/436244073.db2.gz QYSIPPVCTAPJHZ-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653688918 436244074 /nfs/dbraw/zinc/24/40/74/436244074.db2.gz QYSIPPVCTAPJHZ-SJORKVTESA-N 2 2 302.462 3.241 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000666617838 436255313 /nfs/dbraw/zinc/25/53/13/436255313.db2.gz PZQIWZDISRLUGJ-HUUCEWRRSA-N 2 2 301.434 3.381 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000666617838 436255316 /nfs/dbraw/zinc/25/53/16/436255316.db2.gz PZQIWZDISRLUGJ-HUUCEWRRSA-N 2 2 301.434 3.381 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000666617839 436255431 /nfs/dbraw/zinc/25/54/31/436255431.db2.gz PZQIWZDISRLUGJ-LSDHHAIUSA-N 2 2 301.434 3.381 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000666617839 436255433 /nfs/dbraw/zinc/25/54/33/436255433.db2.gz PZQIWZDISRLUGJ-LSDHHAIUSA-N 2 2 301.434 3.381 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657619588 436261211 /nfs/dbraw/zinc/26/12/11/436261211.db2.gz RNYOTWZDKLHAMR-HZPDHXFCSA-N 2 2 324.415 3.053 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657619588 436261214 /nfs/dbraw/zinc/26/12/14/436261214.db2.gz RNYOTWZDKLHAMR-HZPDHXFCSA-N 2 2 324.415 3.053 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@@H+]1Cc1ccccc1 ZINC000657665551 436272181 /nfs/dbraw/zinc/27/21/81/436272181.db2.gz LPMQFETZJOMJBR-ZAWLATJESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@H+]1Cc1ccccc1 ZINC000657665551 436272185 /nfs/dbraw/zinc/27/21/85/436272185.db2.gz LPMQFETZJOMJBR-ZAWLATJESA-N 2 2 302.462 3.197 20 0 DGADLP Cc1cccc2[nH+]cc(CN[C@H]3CC[N@@H+](C4CCCCC4)C3)n21 ZINC000657678448 436276788 /nfs/dbraw/zinc/27/67/88/436276788.db2.gz QOKXQAQOWIKATB-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1cccc2[nH+]cc(CN[C@H]3CC[N@H+](C4CCCCC4)C3)n21 ZINC000657678448 436276791 /nfs/dbraw/zinc/27/67/91/436276791.db2.gz QOKXQAQOWIKATB-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770255 436278819 /nfs/dbraw/zinc/27/88/19/436278819.db2.gz QJBWUHUBBUMEPV-HZPDHXFCSA-N 2 2 317.477 3.259 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cn1 ZINC000666770525 436278834 /nfs/dbraw/zinc/27/88/34/436278834.db2.gz GRQWNTJSERFJCY-QGZVFWFLSA-N 2 2 310.445 3.081 20 0 DGADLP Clc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1Br ZINC000666770588 436278858 /nfs/dbraw/zinc/27/88/58/436278858.db2.gz LNHFTAXFJCZQTL-NSHDSACASA-N 2 2 317.658 3.334 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657980576 436351138 /nfs/dbraw/zinc/35/11/38/436351138.db2.gz XHFBOMJRWWMWJP-OALUTQOASA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657980576 436351139 /nfs/dbraw/zinc/35/11/39/436351139.db2.gz XHFBOMJRWWMWJP-OALUTQOASA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H](C[NH2+]Cc1c[nH+]c2c(C)cccn12)C1CCCCC1 ZINC000657783386 436303397 /nfs/dbraw/zinc/30/33/97/436303397.db2.gz XJAFDDQWXQALFT-KRWDZBQOSA-N 2 2 301.434 3.328 20 0 DGADLP CO[C@@H](C[NH2+]Cc1c[nH+]c2ccc(C)cn12)C1CCCCC1 ZINC000657783376 436303485 /nfs/dbraw/zinc/30/34/85/436303485.db2.gz WWLDBGSOMXEVRR-KRWDZBQOSA-N 2 2 301.434 3.328 20 0 DGADLP CO[C@H](C[NH2+]Cc1c[nH+]c2ccc(C)cn12)C1CCCCC1 ZINC000657783377 436303766 /nfs/dbraw/zinc/30/37/66/436303766.db2.gz WWLDBGSOMXEVRR-QGZVFWFLSA-N 2 2 301.434 3.328 20 0 DGADLP CCOc1ccc(NCc2ccc(N(C)CC)[nH+]c2)[nH+]c1C ZINC000657795465 436310403 /nfs/dbraw/zinc/31/04/03/436310403.db2.gz JANHVFHFRIALAP-UHFFFAOYSA-N 2 2 300.406 3.252 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCN3Cc3ccccc3)n2c1 ZINC000657807347 436312500 /nfs/dbraw/zinc/31/25/00/436312500.db2.gz LUYLETXMPRADIQ-GOSISDBHSA-N 2 2 320.440 3.007 20 0 DGADLP Clc1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662255483 436312468 /nfs/dbraw/zinc/31/24/68/436312468.db2.gz PYUQTTCGISZPNZ-IAGOWNOFSA-N 2 2 308.853 3.246 20 0 DGADLP Clc1ccc([C@H]2CCCCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662255483 436312472 /nfs/dbraw/zinc/31/24/72/436312472.db2.gz PYUQTTCGISZPNZ-IAGOWNOFSA-N 2 2 308.853 3.246 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000666945456 436313162 /nfs/dbraw/zinc/31/31/62/436313162.db2.gz RAPOJEXDPJNEGV-UWVGGRQHSA-N 2 2 310.722 3.148 20 0 DGADLP CCOC1CCC([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000657816287 436315818 /nfs/dbraw/zinc/31/58/18/436315818.db2.gz JSIJZWMNCNHYBU-JLAWEPINSA-N 2 2 304.478 3.097 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657819244 436316839 /nfs/dbraw/zinc/31/68/39/436316839.db2.gz FXCHVDIWVFETMQ-OAHLLOKOSA-N 2 2 309.417 3.056 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968882 436317487 /nfs/dbraw/zinc/31/74/87/436317487.db2.gz YKEKAMCYWULROJ-WBVHZDCISA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968882 436317491 /nfs/dbraw/zinc/31/74/91/436317491.db2.gz YKEKAMCYWULROJ-WBVHZDCISA-N 2 2 312.461 3.020 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1CCCn2nccc21)[N@@H+]1CCc2ccccc2C1 ZINC000657826435 436319635 /nfs/dbraw/zinc/31/96/35/436319635.db2.gz GOGKJBKEDUCXLE-OALUTQOASA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1CCCn2nccc21)[N@H+]1CCc2ccccc2C1 ZINC000657826435 436319637 /nfs/dbraw/zinc/31/96/37/436319637.db2.gz GOGKJBKEDUCXLE-OALUTQOASA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657840712 436322927 /nfs/dbraw/zinc/32/29/27/436322927.db2.gz VLGWLNRBGPSKHF-LJQANCHMSA-N 2 2 324.472 3.281 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842525 436323525 /nfs/dbraw/zinc/32/35/25/436323525.db2.gz BWMDTOINPKMYPD-OKILXGFUSA-N 2 2 302.453 3.420 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842525 436323526 /nfs/dbraw/zinc/32/35/26/436323526.db2.gz BWMDTOINPKMYPD-OKILXGFUSA-N 2 2 302.453 3.420 20 0 DGADLP Fc1cc2c(cc1F)C[NH+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662284703 436324130 /nfs/dbraw/zinc/32/41/30/436324130.db2.gz OXMYLEMKVQNNKG-UHFFFAOYSA-N 2 2 300.352 3.126 20 0 DGADLP CC(C)(C[NH2+][C@H]1COC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657849006 436325418 /nfs/dbraw/zinc/32/54/18/436325418.db2.gz AUCVARNRPHDLBO-GOSISDBHSA-N 2 2 314.473 3.125 20 0 DGADLP CC(C)(C[NH2+][C@H]1COC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000657849006 436325420 /nfs/dbraw/zinc/32/54/20/436325420.db2.gz AUCVARNRPHDLBO-GOSISDBHSA-N 2 2 314.473 3.125 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872101 436331390 /nfs/dbraw/zinc/33/13/90/436331390.db2.gz NBDIKSYYRFJQME-GOEBONIOSA-N 2 2 308.416 3.499 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872101 436331393 /nfs/dbraw/zinc/33/13/93/436331393.db2.gz NBDIKSYYRFJQME-GOEBONIOSA-N 2 2 308.416 3.499 20 0 DGADLP CCOC1CCC([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000657879546 436332127 /nfs/dbraw/zinc/33/21/27/436332127.db2.gz LKDKSKRMEAIZFP-IVMQYODDSA-N 2 2 304.478 3.444 20 0 DGADLP CCOC1CCC([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000657879546 436332129 /nfs/dbraw/zinc/33/21/29/436332129.db2.gz LKDKSKRMEAIZFP-IVMQYODDSA-N 2 2 304.478 3.444 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000657883227 436333027 /nfs/dbraw/zinc/33/30/27/436333027.db2.gz QYAYAFCKEODBPS-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000657883227 436333029 /nfs/dbraw/zinc/33/30/29/436333029.db2.gz QYAYAFCKEODBPS-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000654087745 436340953 /nfs/dbraw/zinc/34/09/53/436340953.db2.gz LTNVHZDAIIAPKO-HZPDHXFCSA-N 2 2 316.449 3.145 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658053907 436360362 /nfs/dbraw/zinc/36/03/62/436360362.db2.gz BXCPQUUKYYXITQ-DOTOQJQBSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658053907 436360366 /nfs/dbraw/zinc/36/03/66/436360366.db2.gz BXCPQUUKYYXITQ-DOTOQJQBSA-N 2 2 317.477 3.175 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054679 436360517 /nfs/dbraw/zinc/36/05/17/436360517.db2.gz FZDXSKXRFAAVJF-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054679 436360518 /nfs/dbraw/zinc/36/05/18/436360518.db2.gz FZDXSKXRFAAVJF-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658064300 436362616 /nfs/dbraw/zinc/36/26/16/436362616.db2.gz ZFUUBODYBRYBLJ-BBRMVZONSA-N 2 2 306.425 3.284 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658064300 436362619 /nfs/dbraw/zinc/36/26/19/436362619.db2.gz ZFUUBODYBRYBLJ-BBRMVZONSA-N 2 2 306.425 3.284 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091058 436371148 /nfs/dbraw/zinc/37/11/48/436371148.db2.gz KOHOOGAEYGWICN-CVEARBPZSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091058 436371149 /nfs/dbraw/zinc/37/11/49/436371149.db2.gz KOHOOGAEYGWICN-CVEARBPZSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1 ZINC000658101980 436375825 /nfs/dbraw/zinc/37/58/25/436375825.db2.gz NZWJHUNGQPOUTD-DCGLDWPTSA-N 2 2 322.416 3.129 20 0 DGADLP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000662706842 436379476 /nfs/dbraw/zinc/37/94/76/436379476.db2.gz GSWFVDJQXHSIGG-OAHLLOKOSA-N 2 2 312.417 3.157 20 0 DGADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000662708795 436380016 /nfs/dbraw/zinc/38/00/16/436380016.db2.gz UOQYMQQFNKEDQQ-ZDUSSCGKSA-N 2 2 300.406 3.026 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662732695 436383158 /nfs/dbraw/zinc/38/31/58/436383158.db2.gz MWBGLOXHCSRFOP-UHFFFAOYSA-N 2 2 323.396 3.487 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658026373 436356033 /nfs/dbraw/zinc/35/60/33/436356033.db2.gz SVZZRQIBHNUATI-QZTJIDSGSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658026373 436356037 /nfs/dbraw/zinc/35/60/37/436356037.db2.gz SVZZRQIBHNUATI-QZTJIDSGSA-N 2 2 324.896 3.098 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054325 436359564 /nfs/dbraw/zinc/35/95/64/436359564.db2.gz DLLJYKZODWJTCV-MSOLQXFVSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054325 436359568 /nfs/dbraw/zinc/35/95/68/436359568.db2.gz DLLJYKZODWJTCV-MSOLQXFVSA-N 2 2 322.468 3.236 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658054634 436359960 /nfs/dbraw/zinc/35/99/60/436359960.db2.gz FTSIJCKROFCONQ-DOTOQJQBSA-N 2 2 320.477 3.235 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658054634 436359964 /nfs/dbraw/zinc/35/99/64/436359964.db2.gz FTSIJCKROFCONQ-DOTOQJQBSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1nccn1C ZINC000658335519 436433110 /nfs/dbraw/zinc/43/31/10/436433110.db2.gz ASZCNNSDNJTJOV-HLLBOEOZSA-N 2 2 304.482 3.114 20 0 DGADLP COc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1C ZINC000658352288 436437270 /nfs/dbraw/zinc/43/72/70/436437270.db2.gz HLRMKQRVRZMFHS-UHFFFAOYSA-N 2 2 311.429 3.157 20 0 DGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663346514 436442302 /nfs/dbraw/zinc/44/23/02/436442302.db2.gz SSBROVBUSOHDCF-HNNXBMFYSA-N 2 2 307.507 3.478 20 0 DGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663346514 436442306 /nfs/dbraw/zinc/44/23/06/436442306.db2.gz SSBROVBUSOHDCF-HNNXBMFYSA-N 2 2 307.507 3.478 20 0 DGADLP Oc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1Cl ZINC000663344771 436442494 /nfs/dbraw/zinc/44/24/94/436442494.db2.gz WMNZVACIGFLKRN-AWEZNQCLSA-N 2 2 308.853 3.257 20 0 DGADLP Oc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1Cl ZINC000663344771 436442496 /nfs/dbraw/zinc/44/24/96/436442496.db2.gz WMNZVACIGFLKRN-AWEZNQCLSA-N 2 2 308.853 3.257 20 0 DGADLP c1sc(C2CC2)nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346869 436442811 /nfs/dbraw/zinc/44/28/11/436442811.db2.gz WFSRNXHRKGILLQ-CQSZACIVSA-N 2 2 305.491 3.232 20 0 DGADLP c1sc(C2CC2)nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346869 436442813 /nfs/dbraw/zinc/44/28/13/436442813.db2.gz WFSRNXHRKGILLQ-CQSZACIVSA-N 2 2 305.491 3.232 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345664 436442826 /nfs/dbraw/zinc/44/28/26/436442826.db2.gz MZWSPEZYVXIXPX-GOSISDBHSA-N 2 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345664 436442831 /nfs/dbraw/zinc/44/28/31/436442831.db2.gz MZWSPEZYVXIXPX-GOSISDBHSA-N 2 2 324.472 3.084 20 0 DGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663346515 436443844 /nfs/dbraw/zinc/44/38/44/436443844.db2.gz SSBROVBUSOHDCF-OAHLLOKOSA-N 2 2 307.507 3.478 20 0 DGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663346515 436443848 /nfs/dbraw/zinc/44/38/48/436443848.db2.gz SSBROVBUSOHDCF-OAHLLOKOSA-N 2 2 307.507 3.478 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1cc(CO)cc(C)[nH+]1)c1ccsc1 ZINC000663386700 436451931 /nfs/dbraw/zinc/45/19/31/436451931.db2.gz BMZGLTKKZWWIPP-INIZCTEOSA-N 2 2 319.474 3.439 20 0 DGADLP Cc1cc(CO)cc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416332 436457016 /nfs/dbraw/zinc/45/70/16/436457016.db2.gz MYTXGFAUJYBTHZ-YJBOKZPZSA-N 2 2 311.429 3.130 20 0 DGADLP Cc1cc(CO)cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416332 436457020 /nfs/dbraw/zinc/45/70/20/436457020.db2.gz MYTXGFAUJYBTHZ-YJBOKZPZSA-N 2 2 311.429 3.130 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286153 436416466 /nfs/dbraw/zinc/41/64/66/436416466.db2.gz PMAHKSPATVNHEE-DLBZAZTESA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286153 436416470 /nfs/dbraw/zinc/41/64/70/436416470.db2.gz PMAHKSPATVNHEE-DLBZAZTESA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287274 436418394 /nfs/dbraw/zinc/41/83/94/436418394.db2.gz GKLWPEIMYMAPDY-UKRRQHHQSA-N 2 2 315.461 3.051 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287274 436418396 /nfs/dbraw/zinc/41/83/96/436418396.db2.gz GKLWPEIMYMAPDY-UKRRQHHQSA-N 2 2 315.461 3.051 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286887 436418462 /nfs/dbraw/zinc/41/84/62/436418462.db2.gz DAEAWSUTEXQFNW-DLBZAZTESA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286887 436418465 /nfs/dbraw/zinc/41/84/65/436418465.db2.gz DAEAWSUTEXQFNW-DLBZAZTESA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287355 436418965 /nfs/dbraw/zinc/41/89/65/436418965.db2.gz ZIZODYGWOJCJOT-IAAVTCLWSA-N 2 2 302.462 3.261 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 ZINC000658287355 436418968 /nfs/dbraw/zinc/41/89/68/436418968.db2.gz ZIZODYGWOJCJOT-IAAVTCLWSA-N 2 2 302.462 3.261 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000658295389 436420534 /nfs/dbraw/zinc/42/05/34/436420534.db2.gz MJFYMLRHQCCDFR-RBUKOAKNSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658296399 436421647 /nfs/dbraw/zinc/42/16/47/436421647.db2.gz ZNHAPMWJYAOONU-XLIONFOSSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CSC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000449108204 301801133 /nfs/dbraw/zinc/80/11/33/301801133.db2.gz SPZNZGKMVYMPMA-NJAFHUGGSA-N 2 2 304.503 3.473 20 0 DGADLP C[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@H]1n1cc[nH+]c1 ZINC000663714761 436495131 /nfs/dbraw/zinc/49/51/31/436495131.db2.gz ZSRRKWMRRVPNKD-CXAGYDPISA-N 2 2 307.401 3.101 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000663720506 436496430 /nfs/dbraw/zinc/49/64/30/436496430.db2.gz JQXHEABGCPKNLH-TZMCWYRMSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000663720506 436496435 /nfs/dbraw/zinc/49/64/35/436496435.db2.gz JQXHEABGCPKNLH-TZMCWYRMSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cn2c([nH+]1)CN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000663751619 436501943 /nfs/dbraw/zinc/50/19/43/436501943.db2.gz NGEHHEYMPDGEKB-UHFFFAOYSA-N 2 2 324.472 3.193 20 0 DGADLP Cc1nc(N2CCC([NH2+]Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000663959527 436533967 /nfs/dbraw/zinc/53/39/67/436533967.db2.gz MXGZPBBQZLIUJK-UHFFFAOYSA-N 2 2 310.445 3.160 20 0 DGADLP CCN(Cc1cn(C)c[nH+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000659868582 436549754 /nfs/dbraw/zinc/54/97/54/436549754.db2.gz PKCMUOGRQLNKJS-APWZRJJASA-N 2 2 312.461 3.078 20 0 DGADLP CC[N@@H+](Cc1coc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972771 436569579 /nfs/dbraw/zinc/56/95/79/436569579.db2.gz FEUZWJYGQAECDM-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC[N@H+](Cc1coc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972771 436569582 /nfs/dbraw/zinc/56/95/82/436569582.db2.gz FEUZWJYGQAECDM-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991321 436574121 /nfs/dbraw/zinc/57/41/21/436574121.db2.gz NWPRMVTYHDUNHO-BCDXTJNWSA-N 2 2 313.489 3.066 20 0 DGADLP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991321 436574123 /nfs/dbraw/zinc/57/41/23/436574123.db2.gz NWPRMVTYHDUNHO-BCDXTJNWSA-N 2 2 313.489 3.066 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989461 436574386 /nfs/dbraw/zinc/57/43/86/436574386.db2.gz LMACVAYHYWOFAI-ROUUACIJSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989461 436574388 /nfs/dbraw/zinc/57/43/88/436574388.db2.gz LMACVAYHYWOFAI-ROUUACIJSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989461 436574389 /nfs/dbraw/zinc/57/43/89/436574389.db2.gz LMACVAYHYWOFAI-ROUUACIJSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000659989461 436574391 /nfs/dbraw/zinc/57/43/91/436574391.db2.gz LMACVAYHYWOFAI-ROUUACIJSA-N 2 2 308.441 3.054 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655683604 436574561 /nfs/dbraw/zinc/57/45/61/436574561.db2.gz IIHTUROXQNUCKZ-SUMWQHHRSA-N 2 2 308.853 3.244 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000655685886 436574924 /nfs/dbraw/zinc/57/49/24/436574924.db2.gz RWIIFGQDZQGHGL-YPMHNXCESA-N 2 2 314.882 3.305 20 0 DGADLP CO[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CCC1 ZINC000660246307 436613243 /nfs/dbraw/zinc/61/32/43/436613243.db2.gz ZTFKXLJFRYENAA-SFHVURJKSA-N 2 2 305.466 3.190 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256187 436615350 /nfs/dbraw/zinc/61/53/50/436615350.db2.gz JMXXHWJZECTSML-UKRRQHHQSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256187 436615352 /nfs/dbraw/zinc/61/53/52/436615352.db2.gz JMXXHWJZECTSML-UKRRQHHQSA-N 2 2 303.450 3.295 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000376602325 312969759 /nfs/dbraw/zinc/96/97/59/312969759.db2.gz NUTNNELIUYHDTK-WFASDCNBSA-N 2 2 313.405 3.010 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000377268250 313035280 /nfs/dbraw/zinc/03/52/80/313035280.db2.gz SEPWRZYYIASUOF-ZDUSSCGKSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000377268250 313035284 /nfs/dbraw/zinc/03/52/84/313035284.db2.gz SEPWRZYYIASUOF-ZDUSSCGKSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528745724 313071417 /nfs/dbraw/zinc/07/14/17/313071417.db2.gz QTGSFWVJVMZTRB-KRWDZBQOSA-N 2 2 301.409 3.370 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528745724 313071418 /nfs/dbraw/zinc/07/14/18/313071418.db2.gz QTGSFWVJVMZTRB-KRWDZBQOSA-N 2 2 301.409 3.370 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC(F)(F)C1 ZINC000529530343 313217420 /nfs/dbraw/zinc/21/74/20/313217420.db2.gz DMBJGCDHOLPNGT-ZDUSSCGKSA-N 2 2 305.372 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529567711 313229498 /nfs/dbraw/zinc/22/94/98/313229498.db2.gz NQOXWXPSODPNNV-SNVBAGLBSA-N 2 2 311.763 3.341 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529567711 313229501 /nfs/dbraw/zinc/22/95/01/313229501.db2.gz NQOXWXPSODPNNV-SNVBAGLBSA-N 2 2 311.763 3.341 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c[nH+]1 ZINC000529643760 313246280 /nfs/dbraw/zinc/24/62/80/313246280.db2.gz UGESPEOHLKJPGK-UHFFFAOYSA-N 2 2 324.472 3.468 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c[nH+]1 ZINC000529643760 313246281 /nfs/dbraw/zinc/24/62/81/313246281.db2.gz UGESPEOHLKJPGK-UHFFFAOYSA-N 2 2 324.472 3.468 20 0 DGADLP C/C(=C\c1ccccc1)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529662334 313249630 /nfs/dbraw/zinc/24/96/30/313249630.db2.gz DOOWPYLBVDXLMC-FBMGVBCBSA-N 2 2 314.473 3.277 20 0 DGADLP c1cn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C2CC2)[nH+]1 ZINC000530129556 313324472 /nfs/dbraw/zinc/32/44/72/313324472.db2.gz MCKRIVGIQJVGHQ-GOSISDBHSA-N 2 2 311.429 3.052 20 0 DGADLP c1cn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C2CC2)[nH+]1 ZINC000530129556 313324475 /nfs/dbraw/zinc/32/44/75/313324475.db2.gz MCKRIVGIQJVGHQ-GOSISDBHSA-N 2 2 311.429 3.052 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1C(C)(C)C ZINC000530330078 313358428 /nfs/dbraw/zinc/35/84/28/313358428.db2.gz NJIZPYUVUDIKLV-CQSZACIVSA-N 2 2 303.454 3.274 20 0 DGADLP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410679 313367021 /nfs/dbraw/zinc/36/70/21/313367021.db2.gz LGDIXDHQGAUDTB-IRXDYDNUSA-N 2 2 315.461 3.307 20 0 DGADLP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410679 313367023 /nfs/dbraw/zinc/36/70/23/313367023.db2.gz LGDIXDHQGAUDTB-IRXDYDNUSA-N 2 2 315.461 3.307 20 0 DGADLP CCCCO[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000537293245 313806727 /nfs/dbraw/zinc/80/67/27/313806727.db2.gz JWUFVISNCPCOCM-IRXDYDNUSA-N 2 2 315.461 3.450 20 0 DGADLP CCCCO[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000539499857 313916367 /nfs/dbraw/zinc/91/63/67/313916367.db2.gz LPIIXTWYIYYQBR-DLBZAZTESA-N 2 2 319.493 3.335 20 0 DGADLP CCCCO[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000539499860 313916654 /nfs/dbraw/zinc/91/66/54/313916654.db2.gz LPIIXTWYIYYQBR-SJORKVTESA-N 2 2 319.493 3.335 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C(C)C)cc1 ZINC000540317759 313955483 /nfs/dbraw/zinc/95/54/83/313955483.db2.gz FILZKINEWWSKGO-ROUUACIJSA-N 2 2 322.518 3.419 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@@H](CC(C)C)C3)c[nH+]c12 ZINC000540734395 313974542 /nfs/dbraw/zinc/97/45/42/313974542.db2.gz KTFCQIDFXJNOLD-RDJZCZTQSA-N 2 2 301.434 3.326 20 0 DGADLP Cc1cccn2c(C[NH2+]CCc3ccc(F)c(F)c3F)c[nH+]c12 ZINC000542311370 314069340 /nfs/dbraw/zinc/06/93/40/314069340.db2.gz TZLHAGGEPMKOPD-UHFFFAOYSA-N 2 2 319.330 3.392 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000542674627 314090493 /nfs/dbraw/zinc/09/04/93/314090493.db2.gz SMOAJUHCJQGFON-HXUWFJFHSA-N 2 2 324.472 3.278 20 0 DGADLP CC[N@H+](CCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000543419080 314133153 /nfs/dbraw/zinc/13/31/53/314133153.db2.gz OBBXPWKCQQUJTO-MRXNPFEDSA-N 2 2 319.493 3.186 20 0 DGADLP CC[N@@H+](CCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000543419080 314133154 /nfs/dbraw/zinc/13/31/54/314133154.db2.gz OBBXPWKCQQUJTO-MRXNPFEDSA-N 2 2 319.493 3.186 20 0 DGADLP CC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592381 314143296 /nfs/dbraw/zinc/14/32/96/314143296.db2.gz STBJQXDYWBEVPE-FUHWJXTLSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592381 314143298 /nfs/dbraw/zinc/14/32/98/314143298.db2.gz STBJQXDYWBEVPE-FUHWJXTLSA-N 2 2 314.477 3.371 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000545001865 314220842 /nfs/dbraw/zinc/22/08/42/314220842.db2.gz SGVHZNNSXSNUDJ-DEYYWGMASA-N 2 2 320.452 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000545001865 314220846 /nfs/dbraw/zinc/22/08/46/314220846.db2.gz SGVHZNNSXSNUDJ-DEYYWGMASA-N 2 2 320.452 3.085 20 0 DGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545205748 314232993 /nfs/dbraw/zinc/23/29/93/314232993.db2.gz PRTQDBHOFFXNQL-SJLPKXTDSA-N 2 2 324.509 3.353 20 0 DGADLP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545204769 314233042 /nfs/dbraw/zinc/23/30/42/314233042.db2.gz WCAPHGOUAQVKHA-SJLPKXTDSA-N 2 2 324.509 3.353 20 0 DGADLP Cc1ccccc1C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000551789868 314575246 /nfs/dbraw/zinc/57/52/46/314575246.db2.gz UAFCLXMYNLZIQS-RTBURBONSA-N 2 2 318.530 3.343 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1OC ZINC000562854494 315057922 /nfs/dbraw/zinc/05/79/22/315057922.db2.gz XRFJLDBSPLVOSK-OAHLLOKOSA-N 2 2 317.433 3.340 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CC[C@H](C)CC3)c2cc1C ZINC000562994331 315068186 /nfs/dbraw/zinc/06/81/86/315068186.db2.gz XLRZNXUUAFHACC-JQFCIGGWSA-N 2 2 315.461 3.182 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccc2c(n1)CCC2)Cc1ccccc1 ZINC000563094285 315078346 /nfs/dbraw/zinc/07/83/46/315078346.db2.gz YJDQDPCSQIIHRY-UHFFFAOYSA-N 2 2 309.457 3.182 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccc2c(n1)CCC2)Cc1ccccc1 ZINC000563094285 315078347 /nfs/dbraw/zinc/07/83/47/315078347.db2.gz YJDQDPCSQIIHRY-UHFFFAOYSA-N 2 2 309.457 3.182 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)[C@H]2C ZINC000563354659 315105591 /nfs/dbraw/zinc/10/55/91/315105591.db2.gz NMNFKYYOZHEQJW-CABCVRRESA-N 2 2 313.445 3.369 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)[C@H]2C ZINC000563354659 315105594 /nfs/dbraw/zinc/10/55/94/315105594.db2.gz NMNFKYYOZHEQJW-CABCVRRESA-N 2 2 313.445 3.369 20 0 DGADLP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563428836 315114539 /nfs/dbraw/zinc/11/45/39/315114539.db2.gz JJWCDONREDIDPM-ZWSWSHGQSA-N 2 2 314.473 3.277 20 0 DGADLP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563428836 315114540 /nfs/dbraw/zinc/11/45/40/315114540.db2.gz JJWCDONREDIDPM-ZWSWSHGQSA-N 2 2 314.473 3.277 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3ccsc3)CC2)c1 ZINC000564067229 315155170 /nfs/dbraw/zinc/15/51/70/315155170.db2.gz OBPXSOIWXNIUQF-OAHLLOKOSA-N 2 2 301.459 3.205 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000564327373 315169925 /nfs/dbraw/zinc/16/99/25/315169925.db2.gz ZSAMHUGEGTWEJK-GUYCJALGSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000564327373 315169927 /nfs/dbraw/zinc/16/99/27/315169927.db2.gz ZSAMHUGEGTWEJK-GUYCJALGSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000564327373 315169930 /nfs/dbraw/zinc/16/99/30/315169930.db2.gz ZSAMHUGEGTWEJK-GUYCJALGSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000564327373 315169934 /nfs/dbraw/zinc/16/99/34/315169934.db2.gz ZSAMHUGEGTWEJK-GUYCJALGSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000564327371 315170009 /nfs/dbraw/zinc/17/00/09/315170009.db2.gz ZSAMHUGEGTWEJK-CXAGYDPISA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000564327371 315170012 /nfs/dbraw/zinc/17/00/12/315170012.db2.gz ZSAMHUGEGTWEJK-CXAGYDPISA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000564327371 315170016 /nfs/dbraw/zinc/17/00/16/315170016.db2.gz ZSAMHUGEGTWEJK-CXAGYDPISA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000564327371 315170018 /nfs/dbraw/zinc/17/00/18/315170018.db2.gz ZSAMHUGEGTWEJK-CXAGYDPISA-N 2 2 306.498 3.027 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000564462898 315178109 /nfs/dbraw/zinc/17/81/09/315178109.db2.gz PITREERYBABSAH-AWEZNQCLSA-N 2 2 312.417 3.280 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000564462898 315178113 /nfs/dbraw/zinc/17/81/13/315178113.db2.gz PITREERYBABSAH-AWEZNQCLSA-N 2 2 312.417 3.280 20 0 DGADLP c1cc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2o1 ZINC000565228924 315245086 /nfs/dbraw/zinc/24/50/86/315245086.db2.gz JHODARQAXYPBEF-GOSISDBHSA-N 2 2 314.429 3.120 20 0 DGADLP c1cc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2o1 ZINC000565228924 315245087 /nfs/dbraw/zinc/24/50/87/315245087.db2.gz JHODARQAXYPBEF-GOSISDBHSA-N 2 2 314.429 3.120 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000565298564 315250662 /nfs/dbraw/zinc/25/06/62/315250662.db2.gz FDURYTSIRWRHCY-KXBFYZLASA-N 2 2 314.429 3.084 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CC[C@H](C)C3)c2cc1C ZINC000565359375 315255593 /nfs/dbraw/zinc/25/55/93/315255593.db2.gz VEESTNKMSAHIHU-IAOVAPTHSA-N 2 2 315.461 3.040 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CC[C@@H](C)C3)c2cc1C ZINC000565359378 315255815 /nfs/dbraw/zinc/25/58/15/315255815.db2.gz VEESTNKMSAHIHU-XOKHGSTOSA-N 2 2 315.461 3.040 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NC3CC[NH+](CC4CC4)CC3)c21 ZINC000565697744 315280542 /nfs/dbraw/zinc/28/05/42/315280542.db2.gz LMLMVGDIEXSPOV-UHFFFAOYSA-N 2 2 321.428 3.397 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707590 315281544 /nfs/dbraw/zinc/28/15/44/315281544.db2.gz DWNKQEIHLOWJFQ-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707590 315281546 /nfs/dbraw/zinc/28/15/46/315281546.db2.gz DWNKQEIHLOWJFQ-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707590 315281548 /nfs/dbraw/zinc/28/15/48/315281548.db2.gz DWNKQEIHLOWJFQ-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707590 315281549 /nfs/dbraw/zinc/28/15/49/315281549.db2.gz DWNKQEIHLOWJFQ-DOMZBBRYSA-N 2 2 319.449 3.352 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc(C2CC2)s1 ZINC000565821639 315289993 /nfs/dbraw/zinc/28/99/93/315289993.db2.gz RTXMOOJBKZGFLP-MRXNPFEDSA-N 2 2 301.459 3.373 20 0 DGADLP Cc1cccc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000565889066 315294574 /nfs/dbraw/zinc/29/45/74/315294574.db2.gz JKWLAVJWBIFKJB-UHFFFAOYSA-N 2 2 312.461 3.321 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565928635 315298006 /nfs/dbraw/zinc/29/80/06/315298006.db2.gz MEADCTQBZQHHGW-HNNXBMFYSA-N 2 2 304.825 3.336 20 0 DGADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000565939077 315299348 /nfs/dbraw/zinc/29/93/48/315299348.db2.gz JKQKIYZKMQPCER-CRAIPNDOSA-N 2 2 313.445 3.382 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2ccccc2Br)n1C ZINC000566499469 315354033 /nfs/dbraw/zinc/35/40/33/315354033.db2.gz UXEGVOKQLGQHCN-NSHDSACASA-N 2 2 322.250 3.212 20 0 DGADLP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000567250674 315408413 /nfs/dbraw/zinc/40/84/13/315408413.db2.gz RQUBHVNMKBCDFG-ZDUSSCGKSA-N 2 2 319.474 3.255 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)n1C ZINC000573505674 315873526 /nfs/dbraw/zinc/87/35/26/315873526.db2.gz CRNAYWGLPFAUAA-UHFFFAOYSA-N 2 2 301.434 3.333 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000575115302 316034438 /nfs/dbraw/zinc/03/44/38/316034438.db2.gz URQVOMCPRMYGRA-CEXWTWQISA-N 2 2 321.424 3.219 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)n1C ZINC000576362122 316122869 /nfs/dbraw/zinc/12/28/69/316122869.db2.gz UQIPYZGYZOXRAS-QZTJIDSGSA-N 2 2 313.445 3.202 20 0 DGADLP COc1cc(F)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000576878982 316177575 /nfs/dbraw/zinc/17/75/75/316177575.db2.gz HOOBWTFDHFAGPA-CQSZACIVSA-N 2 2 324.440 3.055 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)c(C)[nH+]1 ZINC000576961425 316187862 /nfs/dbraw/zinc/18/78/62/316187862.db2.gz QTMHHSBYEILLPY-QGZVFWFLSA-N 2 2 324.428 3.015 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000577561471 316247642 /nfs/dbraw/zinc/24/76/42/316247642.db2.gz QEODMROMHDVOTE-OAHLLOKOSA-N 2 2 316.367 3.366 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000578013001 316293890 /nfs/dbraw/zinc/29/38/90/316293890.db2.gz VUQIODGUIBKCKA-BEFAXECRSA-N 2 2 320.452 3.462 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000578013001 316293893 /nfs/dbraw/zinc/29/38/93/316293893.db2.gz VUQIODGUIBKCKA-BEFAXECRSA-N 2 2 320.452 3.462 20 0 DGADLP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180328515 323227054 /nfs/dbraw/zinc/22/70/54/323227054.db2.gz TXASFHGFXGGCBY-LJQANCHMSA-N 2 2 323.440 3.353 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000185303988 323386767 /nfs/dbraw/zinc/38/67/67/323386767.db2.gz JPCZFGMVCOGUJG-OFQRWUPVSA-N 2 2 320.452 3.228 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000185303988 323386768 /nfs/dbraw/zinc/38/67/68/323386768.db2.gz JPCZFGMVCOGUJG-OFQRWUPVSA-N 2 2 320.452 3.228 20 0 DGADLP O=C(CCC[NH+]1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000384279773 323628065 /nfs/dbraw/zinc/62/80/65/323628065.db2.gz ANEVDTFEISXUNZ-UHFFFAOYSA-N 2 2 318.436 3.349 20 0 DGADLP C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000386109306 323634695 /nfs/dbraw/zinc/63/46/95/323634695.db2.gz AKXQDZWBPGYFQA-HNAYVOBHSA-N 2 2 313.445 3.464 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000578764025 323779563 /nfs/dbraw/zinc/77/95/63/323779563.db2.gz WFYGYZQOQVOMOU-KRWDZBQOSA-N 2 2 316.470 3.488 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1nccn1C)c1ccccc1 ZINC000579286497 323847288 /nfs/dbraw/zinc/84/72/88/323847288.db2.gz JWZAYVHYPBPPPX-LJQANCHMSA-N 2 2 320.440 3.435 20 0 DGADLP c1cn(-c2cccc(C[NH2+]CC3Cc4ccccc4C3)c2)c[nH+]1 ZINC000580136097 323961302 /nfs/dbraw/zinc/96/13/02/323961302.db2.gz IDJFYZXAZXHLFC-UHFFFAOYSA-N 2 2 303.409 3.377 20 0 DGADLP Clc1ccsc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000580860035 324046709 /nfs/dbraw/zinc/04/67/09/324046709.db2.gz KYGMTKMUZATGDS-ZDUSSCGKSA-N 2 2 314.882 3.088 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000581125307 324078041 /nfs/dbraw/zinc/07/80/41/324078041.db2.gz KUYUCTACIBKWDV-GFCCVEGCSA-N 2 2 308.857 3.265 20 0 DGADLP CC(C)C(C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(C)C ZINC000581145606 324080687 /nfs/dbraw/zinc/08/06/87/324080687.db2.gz GYJBIZUFBXTNLF-RBUKOAKNSA-N 2 2 318.505 3.140 20 0 DGADLP CC(C)C(C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(C)C ZINC000581145606 324080689 /nfs/dbraw/zinc/08/06/89/324080689.db2.gz GYJBIZUFBXTNLF-RBUKOAKNSA-N 2 2 318.505 3.140 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000581409491 324114699 /nfs/dbraw/zinc/11/46/99/324114699.db2.gz UTQZOGPUFCVYFD-MJGOQNOKSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000581409491 324114701 /nfs/dbraw/zinc/11/47/01/324114701.db2.gz UTQZOGPUFCVYFD-MJGOQNOKSA-N 2 2 304.478 3.127 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)nc2c1 ZINC000582534011 324241833 /nfs/dbraw/zinc/24/18/33/324241833.db2.gz CZPMQSFINMOGPD-AEFFLSMTSA-N 2 2 320.440 3.454 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)[nH]c2c1 ZINC000582534011 324241837 /nfs/dbraw/zinc/24/18/37/324241837.db2.gz CZPMQSFINMOGPD-AEFFLSMTSA-N 2 2 320.440 3.454 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)n1C ZINC000582557025 324245498 /nfs/dbraw/zinc/24/54/98/324245498.db2.gz JWGRUORFBHSRQO-CQSZACIVSA-N 2 2 311.351 3.239 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587905 324249416 /nfs/dbraw/zinc/24/94/16/324249416.db2.gz GPCJMDFMTNXWBL-IUODEOHRSA-N 2 2 310.388 3.110 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587905 324249420 /nfs/dbraw/zinc/24/94/20/324249420.db2.gz GPCJMDFMTNXWBL-IUODEOHRSA-N 2 2 310.388 3.110 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000582616745 324254232 /nfs/dbraw/zinc/25/42/32/324254232.db2.gz QBZAVRONIZKJGW-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000582616745 324254235 /nfs/dbraw/zinc/25/42/35/324254235.db2.gz QBZAVRONIZKJGW-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000582804158 324278238 /nfs/dbraw/zinc/27/82/38/324278238.db2.gz IDTGVFKTCNDMPG-DZGCQCFKSA-N 2 2 300.368 3.493 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000583019030 324303422 /nfs/dbraw/zinc/30/34/22/324303422.db2.gz YMWRNXBVXLUYKC-HOTGVXAUSA-N 2 2 304.482 3.399 20 0 DGADLP CO[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091546 324312830 /nfs/dbraw/zinc/31/28/30/324312830.db2.gz RZVOLLVEVDRDBR-ZBFHGGJFSA-N 2 2 319.836 3.251 20 0 DGADLP CO[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091546 324312835 /nfs/dbraw/zinc/31/28/35/324312835.db2.gz RZVOLLVEVDRDBR-ZBFHGGJFSA-N 2 2 319.836 3.251 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@H]3CC(C)C)c2cc1C ZINC000583317603 324338442 /nfs/dbraw/zinc/33/84/42/324338442.db2.gz QFRRBCIXZAZDQM-BRWVUGGUSA-N 2 2 315.461 3.038 20 0 DGADLP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636907 533760570 /nfs/dbraw/zinc/76/05/70/533760570.db2.gz QSMSUCWVTVAATC-VQIMIIECSA-N 2 2 313.445 3.388 20 0 DGADLP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636907 533760573 /nfs/dbraw/zinc/76/05/73/533760573.db2.gz QSMSUCWVTVAATC-VQIMIIECSA-N 2 2 313.445 3.388 20 0 DGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427880243 533884368 /nfs/dbraw/zinc/88/43/68/533884368.db2.gz VKYQZZDADRDNLG-DGCLKSJQSA-N 2 2 305.809 3.211 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423041730 533935522 /nfs/dbraw/zinc/93/55/22/533935522.db2.gz JOFJQNOUHZLAHH-FUHWJXTLSA-N 2 2 301.478 3.297 20 0 DGADLP Cc1cc(NC(=O)[C@@H](C[NH3+])C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000423904208 533980875 /nfs/dbraw/zinc/98/08/75/533980875.db2.gz MGPGPLYAXZHAPV-INIZCTEOSA-N 2 2 313.401 3.352 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414838288 533984842 /nfs/dbraw/zinc/98/48/42/533984842.db2.gz VIJTVFXYOZVAPM-PBHICJAKSA-N 2 2 312.413 3.026 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427891570 533990967 /nfs/dbraw/zinc/99/09/67/533990967.db2.gz LQUJZZFZGGWYSL-NWDGAFQWSA-N 2 2 307.344 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cncs1 ZINC000423376370 533992385 /nfs/dbraw/zinc/99/23/85/533992385.db2.gz VHJNCJBUBFJFBR-JVLSTEMRSA-N 2 2 323.412 3.218 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc[nH+]1 ZINC000302134745 534003958 /nfs/dbraw/zinc/00/39/58/534003958.db2.gz HOZVLWXHYOQERG-GBESFXJTSA-N 2 2 322.456 3.498 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc[nH+]1 ZINC000302134745 534003968 /nfs/dbraw/zinc/00/39/68/534003968.db2.gz HOZVLWXHYOQERG-GBESFXJTSA-N 2 2 322.456 3.498 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000159286748 534063730 /nfs/dbraw/zinc/06/37/30/534063730.db2.gz JXGJMGQDODCZHL-ZDUSSCGKSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000159286748 534063736 /nfs/dbraw/zinc/06/37/36/534063736.db2.gz JXGJMGQDODCZHL-ZDUSSCGKSA-N 2 2 323.278 3.331 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423146573 534073737 /nfs/dbraw/zinc/07/37/37/534073737.db2.gz PQRVPXYWNWPZFW-CZUORRHYSA-N 3 2 318.852 3.003 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553351 534082569 /nfs/dbraw/zinc/08/25/69/534082569.db2.gz WXHKEGMSVURSAW-KCQAQPDRSA-N 2 2 308.853 3.322 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)Oc1ccc(Cl)cc1 ZINC000428553351 534082580 /nfs/dbraw/zinc/08/25/80/534082580.db2.gz WXHKEGMSVURSAW-KCQAQPDRSA-N 2 2 308.853 3.322 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429426613 534083160 /nfs/dbraw/zinc/08/31/60/534083160.db2.gz NOEFNGWYLXUQAX-IIYDPXPESA-N 2 2 308.853 3.180 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429426613 534083167 /nfs/dbraw/zinc/08/31/67/534083167.db2.gz NOEFNGWYLXUQAX-IIYDPXPESA-N 2 2 308.853 3.180 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)[C@H]1C[NH3+] ZINC000430555048 534174014 /nfs/dbraw/zinc/17/40/14/534174014.db2.gz HQFWEUMWZJSJQZ-YJBOKZPZSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@H]1C[NH3+] ZINC000430555048 534174022 /nfs/dbraw/zinc/17/40/22/534174022.db2.gz HQFWEUMWZJSJQZ-YJBOKZPZSA-N 2 2 311.429 3.433 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000179181462 534364660 /nfs/dbraw/zinc/36/46/60/534364660.db2.gz KFAVJHAKFPFUTO-GDBMZVCRSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000179181462 534364670 /nfs/dbraw/zinc/36/46/70/534364670.db2.gz KFAVJHAKFPFUTO-GDBMZVCRSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc1C ZINC000179181462 534364678 /nfs/dbraw/zinc/36/46/78/534364678.db2.gz KFAVJHAKFPFUTO-GDBMZVCRSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)sc1C ZINC000179181462 534364687 /nfs/dbraw/zinc/36/46/87/534364687.db2.gz KFAVJHAKFPFUTO-GDBMZVCRSA-N 2 2 305.491 3.209 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCCCCC1 ZINC000157560536 519815986 /nfs/dbraw/zinc/81/59/86/519815986.db2.gz BOORXVFUFAYKSN-ROUUACIJSA-N 2 2 306.498 3.152 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000427876469 534496591 /nfs/dbraw/zinc/49/65/91/534496591.db2.gz MDPZSZPOTYWACQ-MJGOQNOKSA-N 2 2 322.387 3.111 20 0 DGADLP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943293 534519612 /nfs/dbraw/zinc/51/96/12/534519612.db2.gz BYVCWTOUBQIUCC-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943293 534519618 /nfs/dbraw/zinc/51/96/18/534519618.db2.gz BYVCWTOUBQIUCC-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943293 534519626 /nfs/dbraw/zinc/51/96/26/534519626.db2.gz BYVCWTOUBQIUCC-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000309943293 534519631 /nfs/dbraw/zinc/51/96/31/534519631.db2.gz BYVCWTOUBQIUCC-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154356390 521161323 /nfs/dbraw/zinc/16/13/23/521161323.db2.gz ZSIBEVDCVRPNGQ-GJZGRUSLSA-N 2 2 318.383 3.059 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430587436 534643729 /nfs/dbraw/zinc/64/37/29/534643729.db2.gz ZKEQSAQECLVZLI-OAHLLOKOSA-N 2 2 319.493 3.362 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430587436 534643738 /nfs/dbraw/zinc/64/37/38/534643738.db2.gz ZKEQSAQECLVZLI-OAHLLOKOSA-N 2 2 319.493 3.362 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000305632560 534689977 /nfs/dbraw/zinc/68/99/77/534689977.db2.gz GIRPKBMZWARRIL-AWEZNQCLSA-N 2 2 309.413 3.188 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)n1-c1ccccc1 ZINC000323475317 534741636 /nfs/dbraw/zinc/74/16/36/534741636.db2.gz MWWSSPQZBZLJPO-SJORKVTESA-N 2 2 313.445 3.069 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000157637912 524548887 /nfs/dbraw/zinc/54/88/87/524548887.db2.gz PQPSQWSJFJZXSV-BBWFWOEESA-N 2 2 306.498 3.008 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000157637912 524548894 /nfs/dbraw/zinc/54/88/94/524548894.db2.gz PQPSQWSJFJZXSV-BBWFWOEESA-N 2 2 306.498 3.008 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1F ZINC000152757358 525151153 /nfs/dbraw/zinc/15/11/53/525151153.db2.gz MRVPMFMUTKRYQM-CYBMUJFWSA-N 2 2 317.408 3.260 20 0 DGADLP C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156695288 525353536 /nfs/dbraw/zinc/35/35/36/525353536.db2.gz JMIHBRSPBHPYCD-IRXDYDNUSA-N 2 2 312.461 3.255 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)c[nH+]1 ZINC000157350912 526524545 /nfs/dbraw/zinc/52/45/45/526524545.db2.gz HLTCYMFPLSKCCA-IBGZPJMESA-N 3 2 324.472 3.323 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)c[nH+]1 ZINC000157350912 526524553 /nfs/dbraw/zinc/52/45/53/526524553.db2.gz HLTCYMFPLSKCCA-IBGZPJMESA-N 3 2 324.472 3.323 20 0 DGADLP CC(C)(CO)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000294837237 527202533 /nfs/dbraw/zinc/20/25/33/527202533.db2.gz QPAIKXDCQGMMTR-UHFFFAOYSA-N 2 2 324.896 3.303 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000430587911 527260061 /nfs/dbraw/zinc/26/00/61/527260061.db2.gz BJDORMULPBACBS-CYBMUJFWSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000430587911 527260069 /nfs/dbraw/zinc/26/00/69/527260069.db2.gz BJDORMULPBACBS-CYBMUJFWSA-N 2 2 320.824 3.254 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912712 527277138 /nfs/dbraw/zinc/27/71/38/527277138.db2.gz ILFDPGDSGHUCGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912712 527277145 /nfs/dbraw/zinc/27/71/45/527277145.db2.gz ILFDPGDSGHUCGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000294912712 527277150 /nfs/dbraw/zinc/27/71/50/527277150.db2.gz ILFDPGDSGHUCGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000294912712 527277156 /nfs/dbraw/zinc/27/71/56/527277156.db2.gz ILFDPGDSGHUCGM-QUCCMNQESA-N 2 2 312.457 3.338 20 0 DGADLP CC(C)(C)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000431084826 527683582 /nfs/dbraw/zinc/68/35/82/527683582.db2.gz HXKJMDVEQFTRPH-UHFFFAOYSA-N 2 2 316.449 3.312 20 0 DGADLP CC(C)(C)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000431084826 527683585 /nfs/dbraw/zinc/68/35/85/527683585.db2.gz HXKJMDVEQFTRPH-UHFFFAOYSA-N 2 2 316.449 3.312 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOCCc1ccccc1 ZINC000177348448 527898604 /nfs/dbraw/zinc/89/86/04/527898604.db2.gz YNELCEDZYVPSGY-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOCCc1ccccc1 ZINC000177348448 527898609 /nfs/dbraw/zinc/89/86/09/527898609.db2.gz YNELCEDZYVPSGY-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOCCc1ccccc1 ZINC000177348448 527898614 /nfs/dbraw/zinc/89/86/14/527898614.db2.gz YNELCEDZYVPSGY-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOCCc1ccccc1 ZINC000177348448 527898620 /nfs/dbraw/zinc/89/86/20/527898620.db2.gz YNELCEDZYVPSGY-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)[C@H]1Sc1ccccc1 ZINC000418117884 527936016 /nfs/dbraw/zinc/93/60/16/527936016.db2.gz UPMGEHRACSXZIX-GVDBMIGSSA-N 2 2 320.502 3.009 20 0 DGADLP CCC[N@H+](CC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429718431 528023055 /nfs/dbraw/zinc/02/30/55/528023055.db2.gz MZDDCOABGRCYMT-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[N@@H+](CC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429718431 528023061 /nfs/dbraw/zinc/02/30/61/528023061.db2.gz MZDDCOABGRCYMT-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[NH+](CC1CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429718431 528023064 /nfs/dbraw/zinc/02/30/64/528023064.db2.gz MZDDCOABGRCYMT-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[NH+](CC1CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429718431 528023068 /nfs/dbraw/zinc/02/30/68/528023068.db2.gz MZDDCOABGRCYMT-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nnc2ccccn21 ZINC000444607221 528219024 /nfs/dbraw/zinc/21/90/24/528219024.db2.gz IAQWPDCHULJMQF-INIZCTEOSA-N 2 2 315.465 3.036 20 0 DGADLP CC(C)c1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000433770362 528291747 /nfs/dbraw/zinc/29/17/47/528291747.db2.gz DRPLWTMXJMRBQD-KGLIPLIRSA-N 2 2 304.482 3.284 20 0 DGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000427718630 528494384 /nfs/dbraw/zinc/49/43/84/528494384.db2.gz IDFVATQKGBFQLN-MSOLQXFVSA-N 2 2 306.519 3.281 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000430593054 528509738 /nfs/dbraw/zinc/50/97/38/528509738.db2.gz RXCPSKODCCRCOK-INIZCTEOSA-N 2 2 323.387 3.425 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000430593054 528509745 /nfs/dbraw/zinc/50/97/45/528509745.db2.gz RXCPSKODCCRCOK-INIZCTEOSA-N 2 2 323.387 3.425 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000317140430 528827347 /nfs/dbraw/zinc/82/73/47/528827347.db2.gz FFWZNFIZZUGSRV-LSDHHAIUSA-N 2 2 300.450 3.019 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000317140430 528827351 /nfs/dbraw/zinc/82/73/51/528827351.db2.gz FFWZNFIZZUGSRV-LSDHHAIUSA-N 2 2 300.450 3.019 20 0 DGADLP CC1(C)CCC[N@H+](CCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000443974047 528937808 /nfs/dbraw/zinc/93/78/08/528937808.db2.gz SCPLCFJHZKCUGM-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CC1(C)CCC[N@@H+](CCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000443974047 528937809 /nfs/dbraw/zinc/93/78/09/528937809.db2.gz SCPLCFJHZKCUGM-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428869634 529001489 /nfs/dbraw/zinc/00/14/89/529001489.db2.gz VXLUGBAFGDHYHR-UHFFFAOYSA-N 2 2 307.438 3.398 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc2[nH+]1 ZINC000433123042 529045941 /nfs/dbraw/zinc/04/59/41/529045941.db2.gz XUZZWJKBZWTSEV-CYBMUJFWSA-N 2 2 302.422 3.075 20 0 DGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000323586574 529066715 /nfs/dbraw/zinc/06/67/15/529066715.db2.gz BIIFOGTVWQIWCR-IBGZPJMESA-N 2 2 318.461 3.178 20 0 DGADLP CC(C)(C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000494936435 535154490 /nfs/dbraw/zinc/15/44/90/535154490.db2.gz BXHHOUAJADAHJJ-INIZCTEOSA-N 2 2 319.497 3.138 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000471612296 535512584 /nfs/dbraw/zinc/51/25/84/535512584.db2.gz SFMGLZXEDOGPGF-DZJNRPSUSA-N 2 2 304.478 3.471 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358243 535584689 /nfs/dbraw/zinc/58/46/89/535584689.db2.gz RBEDBFZTPTZQEK-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488358243 535584694 /nfs/dbraw/zinc/58/46/94/535584694.db2.gz RBEDBFZTPTZQEK-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)[nH]1 ZINC000488501199 535716732 /nfs/dbraw/zinc/71/67/32/535716732.db2.gz GNDGAHWNBUAEEX-OLZOCXBDSA-N 2 2 307.486 3.232 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000469321102 535768566 /nfs/dbraw/zinc/76/85/66/535768566.db2.gz XBOUTADHAPWNIO-BDXSIMOUSA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000469321102 535768567 /nfs/dbraw/zinc/76/85/67/535768567.db2.gz XBOUTADHAPWNIO-BDXSIMOUSA-N 3 2 309.542 3.063 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354523 536181854 /nfs/dbraw/zinc/18/18/54/536181854.db2.gz QMCQYAGUDUMHKJ-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354523 536181858 /nfs/dbraw/zinc/18/18/58/536181858.db2.gz QMCQYAGUDUMHKJ-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354523 536181862 /nfs/dbraw/zinc/18/18/62/536181862.db2.gz QMCQYAGUDUMHKJ-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354523 536181865 /nfs/dbraw/zinc/18/18/65/536181865.db2.gz QMCQYAGUDUMHKJ-HNNXBMFYSA-N 2 2 315.436 3.471 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc2ccccc21 ZINC000449228690 536774027 /nfs/dbraw/zinc/77/40/27/536774027.db2.gz USUPLQIBBXHIIN-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc2ccccc21 ZINC000449228690 536774032 /nfs/dbraw/zinc/77/40/32/536774032.db2.gz USUPLQIBBXHIIN-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc2ccccc21 ZINC000449228690 536774037 /nfs/dbraw/zinc/77/40/37/536774037.db2.gz USUPLQIBBXHIIN-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc2ccccc21 ZINC000449228690 536774044 /nfs/dbraw/zinc/77/40/44/536774044.db2.gz USUPLQIBBXHIIN-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000449105409 536894326 /nfs/dbraw/zinc/89/43/26/536894326.db2.gz YSFNSRVLFXVHCW-OAHLLOKOSA-N 2 2 309.413 3.471 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)c1 ZINC000449618877 536910455 /nfs/dbraw/zinc/91/04/55/536910455.db2.gz MGJZCAVOKJSLTC-ZIGSKRJUSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)C2)c1 ZINC000449618877 536910459 /nfs/dbraw/zinc/91/04/59/536910459.db2.gz MGJZCAVOKJSLTC-ZIGSKRJUSA-N 2 2 300.446 3.014 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)s1 ZINC000090400705 545826701 /nfs/dbraw/zinc/82/67/01/545826701.db2.gz XRMRSOOOLPCGRS-NSHDSACASA-N 2 2 300.431 3.460 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000120884754 545891143 /nfs/dbraw/zinc/89/11/43/545891143.db2.gz SPJJPHWLDYKRCH-YLJYHZDGSA-N 3 2 315.505 3.143 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000121016240 545891995 /nfs/dbraw/zinc/89/19/95/545891995.db2.gz NGJLCMYDVMEYBS-KRWDZBQOSA-N 2 2 313.351 3.432 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC(OC(C)C)CC3)n2c1 ZINC000130251200 545948714 /nfs/dbraw/zinc/94/87/14/545948714.db2.gz OAZIAMVTQMJBTD-UHFFFAOYSA-N 2 2 301.434 3.469 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000134390583 545972793 /nfs/dbraw/zinc/97/27/93/545972793.db2.gz LDTSEFGNYDSJFJ-FXAWDEMLSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000134390583 545972797 /nfs/dbraw/zinc/97/27/97/545972797.db2.gz LDTSEFGNYDSJFJ-FXAWDEMLSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3cnn(C(C)C)c3)[nH+]c12 ZINC000156344580 546033580 /nfs/dbraw/zinc/03/35/80/546033580.db2.gz JTHXYAIGCIAPOZ-HNNXBMFYSA-N 2 2 311.433 3.313 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000163634499 546083729 /nfs/dbraw/zinc/08/37/29/546083729.db2.gz OXQYMFPBLICPPQ-KUHUBIRLSA-N 2 2 320.452 3.150 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000163711771 546084831 /nfs/dbraw/zinc/08/48/31/546084831.db2.gz KHTWACZKNGYPSS-HNAYVOBHSA-N 2 2 302.462 3.325 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000166106798 546095150 /nfs/dbraw/zinc/09/51/50/546095150.db2.gz RKINOLYTRJWBGI-QRVBRYPASA-N 3 2 307.526 3.103 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000166106798 546095151 /nfs/dbraw/zinc/09/51/51/546095151.db2.gz RKINOLYTRJWBGI-QRVBRYPASA-N 3 2 307.526 3.103 20 0 DGADLP CCC[NH2+]CC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000233092029 546277161 /nfs/dbraw/zinc/27/71/61/546277161.db2.gz PMRQKYIQHROLJT-UHFFFAOYSA-N 2 2 305.647 3.192 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(C)c(Br)c2)CC[C@H]1[NH3+] ZINC000252982157 546332550 /nfs/dbraw/zinc/33/25/50/546332550.db2.gz UZITZDYGYWREPU-UKRRQHHQSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(Br)c2)CC[C@H]1[NH3+] ZINC000252982157 546332555 /nfs/dbraw/zinc/33/25/55/546332555.db2.gz UZITZDYGYWREPU-UKRRQHHQSA-N 2 2 311.267 3.317 20 0 DGADLP CCc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)nc(C)[nH+]1 ZINC000272812751 546358408 /nfs/dbraw/zinc/35/84/08/546358408.db2.gz CSVOVJPIJQSIRJ-UHFFFAOYSA-N 2 2 311.433 3.345 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1[nH]cc[nH+]1)Cc1ccccc1 ZINC000285604380 546398712 /nfs/dbraw/zinc/39/87/12/546398712.db2.gz JXXQHMPVDXCKIH-DOTOQJQBSA-N 2 2 300.450 3.013 20 0 DGADLP OCC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000303388276 546440212 /nfs/dbraw/zinc/44/02/12/546440212.db2.gz BVSHSCDKYQPPGK-LJQANCHMSA-N 2 2 316.489 3.183 20 0 DGADLP OCC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000303388276 546440217 /nfs/dbraw/zinc/44/02/17/546440217.db2.gz BVSHSCDKYQPPGK-LJQANCHMSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000309868395 546451897 /nfs/dbraw/zinc/45/18/97/546451897.db2.gz QCJMYONQXFSLFO-OKZBNKHCSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000309868395 546451900 /nfs/dbraw/zinc/45/19/00/546451900.db2.gz QCJMYONQXFSLFO-OKZBNKHCSA-N 2 2 308.429 3.108 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319672404 546465052 /nfs/dbraw/zinc/46/50/52/546465052.db2.gz HLTPDNDEVMXWPF-YHDCXSKOSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319672404 546465056 /nfs/dbraw/zinc/46/50/56/546465056.db2.gz HLTPDNDEVMXWPF-YHDCXSKOSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319672404 546465060 /nfs/dbraw/zinc/46/50/60/546465060.db2.gz HLTPDNDEVMXWPF-YHDCXSKOSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319672404 546465063 /nfs/dbraw/zinc/46/50/63/546465063.db2.gz HLTPDNDEVMXWPF-YHDCXSKOSA-N 2 2 322.537 3.370 20 0 DGADLP CCC[N@H+](Cc1nc(-c2ccccc2C)no1)C1CC[NH2+]CC1 ZINC000319624801 546465612 /nfs/dbraw/zinc/46/56/12/546465612.db2.gz BCHVLCLBAUOZDP-UHFFFAOYSA-N 2 2 314.433 3.009 20 0 DGADLP CCC[N@@H+](Cc1nc(-c2ccccc2C)no1)C1CC[NH2+]CC1 ZINC000319624801 546465615 /nfs/dbraw/zinc/46/56/15/546465615.db2.gz BCHVLCLBAUOZDP-UHFFFAOYSA-N 2 2 314.433 3.009 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ncc[nH]1 ZINC000353460703 546661643 /nfs/dbraw/zinc/66/16/43/546661643.db2.gz LABUKFQPURZXHN-MRXNPFEDSA-N 2 2 312.461 3.492 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000355214204 546679016 /nfs/dbraw/zinc/67/90/16/546679016.db2.gz GVGRONSDSDIUGR-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000355214204 546679021 /nfs/dbraw/zinc/67/90/21/546679021.db2.gz GVGRONSDSDIUGR-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357239925 546698717 /nfs/dbraw/zinc/69/87/17/546698717.db2.gz UGRNTFBLUSBXSB-BJLQDIEVSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239925 546698721 /nfs/dbraw/zinc/69/87/21/546698721.db2.gz UGRNTFBLUSBXSB-BJLQDIEVSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000381116441 546737286 /nfs/dbraw/zinc/73/72/86/546737286.db2.gz DDMSHOFBWLIPPJ-UHOSZYNNSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000381116441 546737291 /nfs/dbraw/zinc/73/72/91/546737291.db2.gz DDMSHOFBWLIPPJ-UHOSZYNNSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832229 546751192 /nfs/dbraw/zinc/75/11/92/546751192.db2.gz ICBKWTWIHRQNFS-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832229 546751196 /nfs/dbraw/zinc/75/11/96/546751196.db2.gz ICBKWTWIHRQNFS-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232425 546751917 /nfs/dbraw/zinc/75/19/17/546751917.db2.gz IUZCKGKMQLYFQQ-CVEARBPZSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232425 546751924 /nfs/dbraw/zinc/75/19/24/546751924.db2.gz IUZCKGKMQLYFQQ-CVEARBPZSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000390130366 546752755 /nfs/dbraw/zinc/75/27/55/546752755.db2.gz CWWZKESLWPIFAO-QGZVFWFLSA-N 2 2 306.413 3.407 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000390776613 546755971 /nfs/dbraw/zinc/75/59/71/546755971.db2.gz NJSYVQAEKGRYTN-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390776613 546755974 /nfs/dbraw/zinc/75/59/74/546755974.db2.gz NJSYVQAEKGRYTN-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@@H]1c1ccccc1 ZINC000453372823 546859959 /nfs/dbraw/zinc/85/99/59/546859959.db2.gz VBMKOSDISBWRES-SJLPKXTDSA-N 2 2 311.429 3.477 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@@H]1c1ccccc1 ZINC000453372823 546859960 /nfs/dbraw/zinc/85/99/60/546859960.db2.gz VBMKOSDISBWRES-SJLPKXTDSA-N 2 2 311.429 3.477 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000494493176 546935282 /nfs/dbraw/zinc/93/52/82/546935282.db2.gz MYQMRIRSDYTGJA-QXCFHYIPSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000494493176 546935287 /nfs/dbraw/zinc/93/52/87/546935287.db2.gz MYQMRIRSDYTGJA-QXCFHYIPSA-N 2 2 302.462 3.369 20 0 DGADLP c1nc(C2CC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000494962504 546936967 /nfs/dbraw/zinc/93/69/67/546936967.db2.gz YFAHLFPXVXYHPF-AWEZNQCLSA-N 2 2 305.491 3.328 20 0 DGADLP c1nc(C2CC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000494962504 546936972 /nfs/dbraw/zinc/93/69/72/546936972.db2.gz YFAHLFPXVXYHPF-AWEZNQCLSA-N 2 2 305.491 3.328 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3scnc3C3CC3)CC2)c1 ZINC000495156761 546937722 /nfs/dbraw/zinc/93/77/22/546937722.db2.gz LLARPTVFGPACPX-UHFFFAOYSA-N 2 2 314.458 3.046 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665238031 547085575 /nfs/dbraw/zinc/08/55/75/547085575.db2.gz OQONSRVREYDLKG-WMLDXEAASA-N 2 2 316.470 3.272 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000667119315 547097632 /nfs/dbraw/zinc/09/76/32/547097632.db2.gz PDMLZFQPTWYCLI-OAHLLOKOSA-N 2 2 318.465 3.249 20 0 DGADLP c1csc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000667498943 547203817 /nfs/dbraw/zinc/20/38/17/547203817.db2.gz XYQHFMSACJCMPE-UHFFFAOYSA-N 2 2 310.426 3.493 20 0 DGADLP c1csc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000667498943 547203821 /nfs/dbraw/zinc/20/38/21/547203821.db2.gz XYQHFMSACJCMPE-UHFFFAOYSA-N 2 2 310.426 3.493 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)CCCOc2cccc(Cl)c2)n1C ZINC000667534241 547214881 /nfs/dbraw/zinc/21/48/81/547214881.db2.gz RNBDDJSNZJMZJO-UHFFFAOYSA-N 2 2 307.825 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)CCCOc2cccc(Cl)c2)n1C ZINC000667534241 547214888 /nfs/dbraw/zinc/21/48/88/547214888.db2.gz RNBDDJSNZJMZJO-UHFFFAOYSA-N 2 2 307.825 3.283 20 0 DGADLP CCO[C@@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668345 547267419 /nfs/dbraw/zinc/26/74/19/547267419.db2.gz KLAAETJFZWTBOR-DLBZAZTESA-N 2 2 305.466 3.288 20 0 DGADLP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668345 547267422 /nfs/dbraw/zinc/26/74/22/547267422.db2.gz KLAAETJFZWTBOR-DLBZAZTESA-N 2 2 305.466 3.288 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000667762498 547295781 /nfs/dbraw/zinc/29/57/81/547295781.db2.gz ZABVUBBUYWMAMV-GBESFXJTSA-N 2 2 302.462 3.009 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1)[NH+](C)C ZINC000668036056 547367181 /nfs/dbraw/zinc/36/71/81/547367181.db2.gz BXQXLCPUIQGMGB-FXECBMLZSA-N 2 2 302.462 3.143 20 0 DGADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092058 547380955 /nfs/dbraw/zinc/38/09/55/547380955.db2.gz XHMFNWZWZYGQCW-RISCZKNCSA-N 2 2 310.323 3.040 20 0 DGADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092058 547380957 /nfs/dbraw/zinc/38/09/57/547380957.db2.gz XHMFNWZWZYGQCW-RISCZKNCSA-N 2 2 310.323 3.040 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)ccc1OC(F)F ZINC000668166281 547400003 /nfs/dbraw/zinc/40/00/03/547400003.db2.gz XDLLRUHQYNEMBC-UHFFFAOYSA-N 2 2 304.356 3.201 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)ccc1OC(F)F ZINC000668166281 547400008 /nfs/dbraw/zinc/40/00/08/547400008.db2.gz XDLLRUHQYNEMBC-UHFFFAOYSA-N 2 2 304.356 3.201 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c(C2CCC2)cnn1C ZINC000668165459 547400499 /nfs/dbraw/zinc/40/04/99/547400499.db2.gz YMBOUQGZCHOQGQ-UHFFFAOYSA-N 2 2 306.498 3.241 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(C2CCC2)cnn1C ZINC000668165459 547400502 /nfs/dbraw/zinc/40/05/02/547400502.db2.gz YMBOUQGZCHOQGQ-UHFFFAOYSA-N 2 2 306.498 3.241 20 0 DGADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccncc1 ZINC000668191067 547410198 /nfs/dbraw/zinc/41/01/98/547410198.db2.gz WNBPDRMCYYXUHD-GOSISDBHSA-N 2 2 319.412 3.245 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccncc1 ZINC000668191067 547410202 /nfs/dbraw/zinc/41/02/02/547410202.db2.gz WNBPDRMCYYXUHD-GOSISDBHSA-N 2 2 319.412 3.245 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1C ZINC000668196524 547412042 /nfs/dbraw/zinc/41/20/42/547412042.db2.gz OJAYJPODDMZQSV-MRXNPFEDSA-N 2 2 305.809 3.035 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1C ZINC000668196524 547412048 /nfs/dbraw/zinc/41/20/48/547412048.db2.gz OJAYJPODDMZQSV-MRXNPFEDSA-N 2 2 305.809 3.035 20 0 DGADLP Cc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1Oc1cccnc1 ZINC000668540091 547475045 /nfs/dbraw/zinc/47/50/45/547475045.db2.gz WJOKWJGFAXVZSE-UHFFFAOYSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1Oc1cccnc1 ZINC000668540091 547475049 /nfs/dbraw/zinc/47/50/49/547475049.db2.gz WJOKWJGFAXVZSE-UHFFFAOYSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)c[nH+]1 ZINC000668586895 547486324 /nfs/dbraw/zinc/48/63/24/547486324.db2.gz HECQMBKXSNYCCA-SFHVURJKSA-N 3 2 301.478 3.319 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)c[nH+]1 ZINC000668586895 547486330 /nfs/dbraw/zinc/48/63/30/547486330.db2.gz HECQMBKXSNYCCA-SFHVURJKSA-N 3 2 301.478 3.319 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)[nH]c2c1 ZINC000668787101 547542479 /nfs/dbraw/zinc/54/24/79/547542479.db2.gz NQTJEICYPNSVKF-GOSISDBHSA-N 2 2 315.461 3.019 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)[nH]c2c1 ZINC000668787101 547542480 /nfs/dbraw/zinc/54/24/80/547542480.db2.gz NQTJEICYPNSVKF-GOSISDBHSA-N 2 2 315.461 3.019 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000669614748 547661051 /nfs/dbraw/zinc/66/10/51/547661051.db2.gz QICYPPCHRIXYCE-YJBOKZPZSA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669614748 547661054 /nfs/dbraw/zinc/66/10/54/547661054.db2.gz QICYPPCHRIXYCE-YJBOKZPZSA-N 2 2 300.446 3.147 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000669685359 547672707 /nfs/dbraw/zinc/67/27/07/547672707.db2.gz ATBVTHNBZAQLCH-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000669685359 547672711 /nfs/dbraw/zinc/67/27/11/547672711.db2.gz ATBVTHNBZAQLCH-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)nn1C ZINC000669700389 547674302 /nfs/dbraw/zinc/67/43/02/547674302.db2.gz ZNCDNVPZXVTONE-MAUKXSAKSA-N 2 2 323.444 3.097 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000669699884 547674371 /nfs/dbraw/zinc/67/43/71/547674371.db2.gz SVBOPRIYEVMMPK-RBUKOAKNSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000669699884 547674373 /nfs/dbraw/zinc/67/43/73/547674373.db2.gz SVBOPRIYEVMMPK-RBUKOAKNSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000669699882 547674419 /nfs/dbraw/zinc/67/44/19/547674419.db2.gz SVBOPRIYEVMMPK-MOPGFXCFSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000669699882 547674423 /nfs/dbraw/zinc/67/44/23/547674423.db2.gz SVBOPRIYEVMMPK-MOPGFXCFSA-N 2 2 314.473 3.200 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000669702454 547675352 /nfs/dbraw/zinc/67/53/52/547675352.db2.gz XRUSQINZQWKESU-CVEARBPZSA-N 2 2 315.461 3.394 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000669716682 547678247 /nfs/dbraw/zinc/67/82/47/547678247.db2.gz PTUWRFSSLHEKDP-INIZCTEOSA-N 2 2 312.404 3.247 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000669716682 547678252 /nfs/dbraw/zinc/67/82/52/547678252.db2.gz PTUWRFSSLHEKDP-INIZCTEOSA-N 2 2 312.404 3.247 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671148132 547771970 /nfs/dbraw/zinc/77/19/70/547771970.db2.gz AUEVBBHYUZLJDO-INIZCTEOSA-N 2 2 303.356 3.275 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)c[nH+]1 ZINC000671624698 547800184 /nfs/dbraw/zinc/80/01/84/547800184.db2.gz JZEUACQKVKHCCE-QGZVFWFLSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)on3)C2)c[nH+]1 ZINC000671624698 547800185 /nfs/dbraw/zinc/80/01/85/547800185.db2.gz JZEUACQKVKHCCE-QGZVFWFLSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn(Cc2ccccc2)c(NCc2c[nH+]c3ccccn23)[nH+]1 ZINC000671673610 547807841 /nfs/dbraw/zinc/80/78/41/547807841.db2.gz FOHZIPJXLXROCN-UHFFFAOYSA-N 2 2 303.369 3.191 20 0 DGADLP CCOC1CC(C[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000671685829 547809095 /nfs/dbraw/zinc/80/90/95/547809095.db2.gz WITWUYOCEKMBEY-KVZIAJEVSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000672761008 547910696 /nfs/dbraw/zinc/91/06/96/547910696.db2.gz FSOLEXTUSYEWQO-KRWDZBQOSA-N 2 2 324.428 3.219 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000672761008 547910698 /nfs/dbraw/zinc/91/06/98/547910698.db2.gz FSOLEXTUSYEWQO-KRWDZBQOSA-N 2 2 324.428 3.219 20 0 DGADLP FC1(F)CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000673617857 547975101 /nfs/dbraw/zinc/97/51/01/547975101.db2.gz LKGMRZICRUWHBN-KRWDZBQOSA-N 2 2 324.415 3.439 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cnc3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000673701383 547984185 /nfs/dbraw/zinc/98/41/85/547984185.db2.gz DXKCUUQNQXDLFH-VQIMIIECSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cnc3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000673701383 547984188 /nfs/dbraw/zinc/98/41/88/547984188.db2.gz DXKCUUQNQXDLFH-VQIMIIECSA-N 2 2 320.440 3.087 20 0 DGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cccc(Cl)c1 ZINC000674375769 548072628 /nfs/dbraw/zinc/07/26/28/548072628.db2.gz AVVAZLKCIILOCW-KRWDZBQOSA-N 2 2 310.869 3.492 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000674880472 548129354 /nfs/dbraw/zinc/12/93/54/548129354.db2.gz JXXDIJSWJIOKFC-HLIPFELVSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000674880472 548129356 /nfs/dbraw/zinc/12/93/56/548129356.db2.gz JXXDIJSWJIOKFC-HLIPFELVSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912533 548136584 /nfs/dbraw/zinc/13/65/84/548136584.db2.gz GLXWPYWLEKSLAE-TVQRCGJNSA-N 2 2 306.759 3.399 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912533 548136586 /nfs/dbraw/zinc/13/65/86/548136586.db2.gz GLXWPYWLEKSLAE-TVQRCGJNSA-N 2 2 306.759 3.399 20 0 DGADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)nc1 ZINC000675552519 548231676 /nfs/dbraw/zinc/23/16/76/548231676.db2.gz GTPVXAVCUYTWLG-GOSISDBHSA-N 2 2 306.413 3.197 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCO3)CC2)cc1 ZINC000675741918 548263033 /nfs/dbraw/zinc/26/30/33/548263033.db2.gz GRQDLKYWBNCACU-GOSISDBHSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787663 548270930 /nfs/dbraw/zinc/27/09/30/548270930.db2.gz FKOVBHZYBALARK-KZULUSFZSA-N 2 2 317.864 3.436 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787663 548270934 /nfs/dbraw/zinc/27/09/34/548270934.db2.gz FKOVBHZYBALARK-KZULUSFZSA-N 2 2 317.864 3.436 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833791 548280498 /nfs/dbraw/zinc/28/04/98/548280498.db2.gz PBOFAHVREIQBLM-CRAIPNDOSA-N 2 2 310.445 3.007 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833791 548280500 /nfs/dbraw/zinc/28/05/00/548280500.db2.gz PBOFAHVREIQBLM-CRAIPNDOSA-N 2 2 310.445 3.007 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000675919355 548291652 /nfs/dbraw/zinc/29/16/52/548291652.db2.gz HQXJTSWHARNJGV-QAPCUYQASA-N 2 2 323.444 3.271 20 0 DGADLP Cc1cccn2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)[nH+]c12 ZINC000676712486 548399672 /nfs/dbraw/zinc/39/96/72/548399672.db2.gz INOOQIIPEMQFJI-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)[nH+]c12 ZINC000676712486 548399676 /nfs/dbraw/zinc/39/96/76/548399676.db2.gz INOOQIIPEMQFJI-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712486 548399680 /nfs/dbraw/zinc/39/96/80/548399680.db2.gz INOOQIIPEMQFJI-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712486 548399684 /nfs/dbraw/zinc/39/96/84/548399684.db2.gz INOOQIIPEMQFJI-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc12 ZINC000676712486 548399686 /nfs/dbraw/zinc/39/96/86/548399686.db2.gz INOOQIIPEMQFJI-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc12 ZINC000676712486 548399689 /nfs/dbraw/zinc/39/96/89/548399689.db2.gz INOOQIIPEMQFJI-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)C[C@@H](C)O1 ZINC000677129728 548456854 /nfs/dbraw/zinc/45/68/54/548456854.db2.gz NRYQFJDJEJDGHG-VFVRVIDISA-N 2 2 324.415 3.041 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806778 548559483 /nfs/dbraw/zinc/55/94/83/548559483.db2.gz NUCTZESXITZKBC-QXAKKESOSA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806778 548559487 /nfs/dbraw/zinc/55/94/87/548559487.db2.gz NUCTZESXITZKBC-QXAKKESOSA-N 2 2 318.505 3.426 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000677845462 548564313 /nfs/dbraw/zinc/56/43/13/548564313.db2.gz GFQHCSMKDTVKQX-KRWDZBQOSA-N 2 2 308.853 3.028 20 0 DGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000677892215 548574151 /nfs/dbraw/zinc/57/41/51/548574151.db2.gz JKQYYQOPYFNNHO-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000678217056 548640937 /nfs/dbraw/zinc/64/09/37/548640937.db2.gz LUPANYSODIOIOS-SJORKVTESA-N 2 2 300.446 3.113 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000678217056 548640942 /nfs/dbraw/zinc/64/09/42/548640942.db2.gz LUPANYSODIOIOS-SJORKVTESA-N 2 2 300.446 3.113 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678234864 548648433 /nfs/dbraw/zinc/64/84/33/548648433.db2.gz MKLTXMBIGALSQC-CQSZACIVSA-N 2 2 319.478 3.023 20 0 DGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678234864 548648439 /nfs/dbraw/zinc/64/84/39/548648439.db2.gz MKLTXMBIGALSQC-CQSZACIVSA-N 2 2 319.478 3.023 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678234253 548649269 /nfs/dbraw/zinc/64/92/69/548649269.db2.gz BUCFOBCOQPHWPE-OAHLLOKOSA-N 2 2 321.371 3.364 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678234253 548649272 /nfs/dbraw/zinc/64/92/72/548649272.db2.gz BUCFOBCOQPHWPE-OAHLLOKOSA-N 2 2 321.371 3.364 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235410 548649792 /nfs/dbraw/zinc/64/97/92/548649792.db2.gz JJEWIQKQUKSKCZ-MRXNPFEDSA-N 2 2 315.417 3.128 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235410 548649796 /nfs/dbraw/zinc/64/97/96/548649796.db2.gz JJEWIQKQUKSKCZ-MRXNPFEDSA-N 2 2 315.417 3.128 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000678688922 548751088 /nfs/dbraw/zinc/75/10/88/548751088.db2.gz AKWLVVXHPSPEPD-LJQANCHMSA-N 2 2 320.452 3.286 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678768691 548759645 /nfs/dbraw/zinc/75/96/45/548759645.db2.gz QFUCDYLUIOZKCJ-SUMDDJOVSA-N 2 2 302.462 3.010 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678768691 548759650 /nfs/dbraw/zinc/75/96/50/548759650.db2.gz QFUCDYLUIOZKCJ-SUMDDJOVSA-N 2 2 302.462 3.010 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999535 548809917 /nfs/dbraw/zinc/80/99/17/548809917.db2.gz RWDCEFJVBVDXIG-RCCFBDPRSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999535 548809919 /nfs/dbraw/zinc/80/99/19/548809919.db2.gz RWDCEFJVBVDXIG-RCCFBDPRSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCCO1 ZINC000679114800 548831935 /nfs/dbraw/zinc/83/19/35/548831935.db2.gz OUUBGODWVGTAOK-GUYCJALGSA-N 2 2 303.381 3.059 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000679336286 548880546 /nfs/dbraw/zinc/88/05/46/548880546.db2.gz KWIGPRCFGWCEQN-PKOBYXMFSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000679336286 548880549 /nfs/dbraw/zinc/88/05/49/548880549.db2.gz KWIGPRCFGWCEQN-PKOBYXMFSA-N 2 2 304.478 3.182 20 0 DGADLP CC[C@@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)c1ccc(F)cn1 ZINC000679345470 548882788 /nfs/dbraw/zinc/88/27/88/548882788.db2.gz SJRXTNXIJXRJOT-MRXNPFEDSA-N 2 2 312.392 3.460 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCCOC1 ZINC000679576627 548920106 /nfs/dbraw/zinc/92/01/06/548920106.db2.gz YOKQIZJZBNSDJB-YTQUADARSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCCOC1 ZINC000679576627 548920110 /nfs/dbraw/zinc/92/01/10/548920110.db2.gz YOKQIZJZBNSDJB-YTQUADARSA-N 2 2 316.489 3.444 20 0 DGADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000679723485 548944365 /nfs/dbraw/zinc/94/43/65/548944365.db2.gz LQQKMYWSXLUMGK-YTQUADARSA-N 2 2 311.429 3.065 20 0 DGADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000679723485 548944368 /nfs/dbraw/zinc/94/43/68/548944368.db2.gz LQQKMYWSXLUMGK-YTQUADARSA-N 2 2 311.429 3.065 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000679998010 548976851 /nfs/dbraw/zinc/97/68/51/548976851.db2.gz PRBBPWWGKUJSPU-HOTGVXAUSA-N 2 2 301.459 3.189 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[NH2+][C@H](C)c1c(C)noc1C ZINC000680382170 549043994 /nfs/dbraw/zinc/04/39/94/549043994.db2.gz FLNZUSCRYGORAK-GHMZBOCLSA-N 2 2 320.437 3.288 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCOCC3CCC3)C2)cc1 ZINC000680936559 549131607 /nfs/dbraw/zinc/13/16/07/549131607.db2.gz UBFPJLSCUJMTLE-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCOCC3CCC3)C2)cc1 ZINC000680936559 549131610 /nfs/dbraw/zinc/13/16/10/549131610.db2.gz UBFPJLSCUJMTLE-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000681082142 549156736 /nfs/dbraw/zinc/15/67/36/549156736.db2.gz IPWZFAZCMJJXLD-ZIAGYGMSSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000681082142 549156737 /nfs/dbraw/zinc/15/67/37/549156737.db2.gz IPWZFAZCMJJXLD-ZIAGYGMSSA-N 2 2 312.417 3.136 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)C3CCSCC3)[nH+]c12 ZINC000681742107 549248786 /nfs/dbraw/zinc/24/87/86/549248786.db2.gz FDPSGCMGHDSXMM-AWEZNQCLSA-N 2 2 303.475 3.307 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000683140573 549437960 /nfs/dbraw/zinc/43/79/60/549437960.db2.gz ALDHWEAXMZYVAE-PHIMTYICSA-N 2 2 320.321 3.391 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000683140573 549437963 /nfs/dbraw/zinc/43/79/63/549437963.db2.gz ALDHWEAXMZYVAE-PHIMTYICSA-N 2 2 320.321 3.391 20 0 DGADLP CC[NH+](CC)CCC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000683140574 549438039 /nfs/dbraw/zinc/43/80/39/549438039.db2.gz ALDHWEAXMZYVAE-QWRGUYRKSA-N 2 2 320.321 3.391 20 0 DGADLP Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000683474850 549491637 /nfs/dbraw/zinc/49/16/37/549491637.db2.gz QIXKWWOLPKWTDB-SFHVURJKSA-N 2 2 319.408 3.225 20 0 DGADLP CCc1ccc([C@H](COC)[NH2+]CCCc2ccc(C)[nH+]c2)o1 ZINC000684380514 549623698 /nfs/dbraw/zinc/62/36/98/549623698.db2.gz PKNBIQGAEQEWGB-KRWDZBQOSA-N 2 2 302.418 3.455 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000684396613 549628958 /nfs/dbraw/zinc/62/89/58/549628958.db2.gz MSBSQEFVVWCCRF-XUVXKRRUSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000684396613 549628962 /nfs/dbraw/zinc/62/89/62/549628962.db2.gz MSBSQEFVVWCCRF-XUVXKRRUSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000684560919 549660329 /nfs/dbraw/zinc/66/03/29/549660329.db2.gz ULARILRLLZJTFL-MOPGFXCFSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000684560919 549660334 /nfs/dbraw/zinc/66/03/34/549660334.db2.gz ULARILRLLZJTFL-MOPGFXCFSA-N 2 2 316.489 3.180 20 0 DGADLP c1[nH+]c2ccccn2c1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684768172 549690006 /nfs/dbraw/zinc/69/00/06/549690006.db2.gz NBSFIRJVPXJCES-KRWDZBQOSA-N 2 2 312.461 3.221 20 0 DGADLP c1[nH+]c2ccccn2c1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000684768172 549690008 /nfs/dbraw/zinc/69/00/08/549690008.db2.gz NBSFIRJVPXJCES-KRWDZBQOSA-N 2 2 312.461 3.221 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684954892 549724525 /nfs/dbraw/zinc/72/45/25/549724525.db2.gz DWMQYOWBPQUVGX-QRVBRYPASA-N 2 2 313.489 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684954892 549724528 /nfs/dbraw/zinc/72/45/28/549724528.db2.gz DWMQYOWBPQUVGX-QRVBRYPASA-N 2 2 313.489 3.490 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421710 549756482 /nfs/dbraw/zinc/75/64/82/549756482.db2.gz PGCFWRJXINADNT-DOMZBBRYSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421710 549756485 /nfs/dbraw/zinc/75/64/85/549756485.db2.gz PGCFWRJXINADNT-DOMZBBRYSA-N 2 2 300.368 3.493 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000685452238 549762750 /nfs/dbraw/zinc/76/27/50/549762750.db2.gz BONJIDJWPBLIQO-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000685452238 549762751 /nfs/dbraw/zinc/76/27/51/549762751.db2.gz BONJIDJWPBLIQO-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000685582716 549777605 /nfs/dbraw/zinc/77/76/05/549777605.db2.gz GTJXNYVOUKOSMQ-PMACEKPBSA-N 2 2 309.457 3.288 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000685582716 549777608 /nfs/dbraw/zinc/77/76/08/549777608.db2.gz GTJXNYVOUKOSMQ-PMACEKPBSA-N 2 2 309.457 3.288 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674881 574555131 /nfs/dbraw/zinc/55/51/31/574555131.db2.gz GUMMZLLEGJCWGA-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674881 574555132 /nfs/dbraw/zinc/55/51/32/574555132.db2.gz GUMMZLLEGJCWGA-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543731 575255390 /nfs/dbraw/zinc/25/53/90/575255390.db2.gz OSYKUUJXNKBMSJ-GOEBONIOSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543731 575255392 /nfs/dbraw/zinc/25/53/92/575255392.db2.gz OSYKUUJXNKBMSJ-GOEBONIOSA-N 2 2 322.880 3.322 20 0 DGADLP c1cn(-c2ccc(C[N@@H+](CCc3ccccc3)C3CC3)cn2)c[nH+]1 ZINC000750039746 575699194 /nfs/dbraw/zinc/69/91/94/575699194.db2.gz DBZLLHKLLXCKMT-UHFFFAOYSA-N 2 2 318.424 3.474 20 0 DGADLP c1cn(-c2ccc(C[N@H+](CCc3ccccc3)C3CC3)cn2)c[nH+]1 ZINC000750039746 575699197 /nfs/dbraw/zinc/69/91/97/575699197.db2.gz DBZLLHKLLXCKMT-UHFFFAOYSA-N 2 2 318.424 3.474 20 0 DGADLP COc1ccc2[nH+]c(NCCNc3cccc(C)[nH+]3)ccc2c1 ZINC000750172009 575710216 /nfs/dbraw/zinc/71/02/16/575710216.db2.gz UWSKURAQFKOGLQ-UHFFFAOYSA-N 2 2 308.385 3.471 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000302334581 575972750 /nfs/dbraw/zinc/97/27/50/575972750.db2.gz GRTJMSXDMNCQFC-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000302334581 575972752 /nfs/dbraw/zinc/97/27/52/575972752.db2.gz GRTJMSXDMNCQFC-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)c[nH+]1 ZINC000727644595 576135425 /nfs/dbraw/zinc/13/54/25/576135425.db2.gz LWFAIUTVMFQIHA-UHFFFAOYSA-N 2 2 315.380 3.105 20 0 DGADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852728405 620642916 /nfs/dbraw/zinc/64/29/16/620642916.db2.gz BKMFUKMAVXEYFH-SJORKVTESA-N 2 2 321.852 3.274 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)c2)[nH+]c1C ZINC000852862830 620653063 /nfs/dbraw/zinc/65/30/63/620653063.db2.gz KZGGTKCODUPMRQ-HNNXBMFYSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1cccn2cc(C[NH2+]C3CC[NH+](CCC(C)C)CC3)nc12 ZINC000925443357 620684863 /nfs/dbraw/zinc/68/48/63/620684863.db2.gz MNYLBBQOLWZLGG-UHFFFAOYSA-N 2 2 314.477 3.243 20 0 DGADLP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[N@H+]4C4CCCC4)n3)cc12 ZINC000924048027 617734054 /nfs/dbraw/zinc/73/40/54/617734054.db2.gz KXDJIVMHWCYBHI-HNNXBMFYSA-N 2 2 309.373 3.074 20 0 DGADLP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[N@@H+]4C4CCCC4)n3)cc12 ZINC000924048027 617734058 /nfs/dbraw/zinc/73/40/58/617734058.db2.gz KXDJIVMHWCYBHI-HNNXBMFYSA-N 2 2 309.373 3.074 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C2CCCC2)n1 ZINC000891724638 617883103 /nfs/dbraw/zinc/88/31/03/617883103.db2.gz HDTGCNFHKRLAHE-HNNXBMFYSA-N 2 2 313.449 3.180 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C2CCCC2)n1 ZINC000891724638 617883105 /nfs/dbraw/zinc/88/31/05/617883105.db2.gz HDTGCNFHKRLAHE-HNNXBMFYSA-N 2 2 313.449 3.180 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C2CCCC2)n1 ZINC000891724639 617883230 /nfs/dbraw/zinc/88/32/30/617883230.db2.gz HDTGCNFHKRLAHE-OAHLLOKOSA-N 2 2 313.449 3.180 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C2CCCC2)n1 ZINC000891724639 617883236 /nfs/dbraw/zinc/88/32/36/617883236.db2.gz HDTGCNFHKRLAHE-OAHLLOKOSA-N 2 2 313.449 3.180 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103515 617962720 /nfs/dbraw/zinc/96/27/20/617962720.db2.gz JZEOWAKNOYUFMF-WMLDXEAASA-N 2 2 306.498 3.385 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103515 617962722 /nfs/dbraw/zinc/96/27/22/617962722.db2.gz JZEOWAKNOYUFMF-WMLDXEAASA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103515 617962724 /nfs/dbraw/zinc/96/27/24/617962724.db2.gz JZEOWAKNOYUFMF-WMLDXEAASA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103515 617962726 /nfs/dbraw/zinc/96/27/26/617962726.db2.gz JZEOWAKNOYUFMF-WMLDXEAASA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892120701 617966616 /nfs/dbraw/zinc/96/66/16/617966616.db2.gz OCQWOGBYAOUURW-QGZVFWFLSA-N 2 2 306.498 3.245 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892120701 617966620 /nfs/dbraw/zinc/96/66/20/617966620.db2.gz OCQWOGBYAOUURW-QGZVFWFLSA-N 2 2 306.498 3.245 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cnc1F ZINC000892446565 618068012 /nfs/dbraw/zinc/06/80/12/618068012.db2.gz JTLQNWKWKAEQMA-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cnc1F ZINC000892510258 618089981 /nfs/dbraw/zinc/08/99/81/618089981.db2.gz VXVKNMASMYKQAF-UHFFFAOYSA-N 2 2 313.420 3.067 20 0 DGADLP Cc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cnc1F ZINC000892510258 618089985 /nfs/dbraw/zinc/08/99/85/618089985.db2.gz VXVKNMASMYKQAF-UHFFFAOYSA-N 2 2 313.420 3.067 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C)(O)CC1)Cc1ccccc1 ZINC000892554252 618107720 /nfs/dbraw/zinc/10/77/20/618107720.db2.gz CGIQXIJWRVHCQM-GPJFCIFZSA-N 2 2 318.505 3.223 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)c(F)c1 ZINC000892647988 618125826 /nfs/dbraw/zinc/12/58/26/618125826.db2.gz AKLYWOHAJBAPHX-INIZCTEOSA-N 2 2 307.388 3.408 20 0 DGADLP CNc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892669262 618131482 /nfs/dbraw/zinc/13/14/82/618131482.db2.gz QNZWBNVKOMPYKK-MLGOLLRUSA-N 2 2 317.462 3.075 20 0 DGADLP CNc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892669262 618131484 /nfs/dbraw/zinc/13/14/84/618131484.db2.gz QNZWBNVKOMPYKK-MLGOLLRUSA-N 2 2 317.462 3.075 20 0 DGADLP CC[N@H+](Cc1nccn1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894456867 618338605 /nfs/dbraw/zinc/33/86/05/618338605.db2.gz TXLYQTPRSKCISA-UHFFFAOYSA-N 2 2 312.461 3.302 20 0 DGADLP CC[N@@H+](Cc1nccn1C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894456867 618338611 /nfs/dbraw/zinc/33/86/11/618338611.db2.gz TXLYQTPRSKCISA-UHFFFAOYSA-N 2 2 312.461 3.302 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494518 618357589 /nfs/dbraw/zinc/35/75/89/618357589.db2.gz FGIHRTQMDRBSAE-PWSUYJOCSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494518 618357596 /nfs/dbraw/zinc/35/75/96/618357596.db2.gz FGIHRTQMDRBSAE-PWSUYJOCSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494518 618357602 /nfs/dbraw/zinc/35/76/02/618357602.db2.gz FGIHRTQMDRBSAE-PWSUYJOCSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494518 618357609 /nfs/dbraw/zinc/35/76/09/618357609.db2.gz FGIHRTQMDRBSAE-PWSUYJOCSA-N 2 2 321.412 3.020 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cn1 ZINC000894624224 618404672 /nfs/dbraw/zinc/40/46/72/618404672.db2.gz UQOOHHNMCZRMSX-IBGZPJMESA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cn1 ZINC000894624224 618404675 /nfs/dbraw/zinc/40/46/75/618404675.db2.gz UQOOHHNMCZRMSX-IBGZPJMESA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000894624224 618404678 /nfs/dbraw/zinc/40/46/78/618404678.db2.gz UQOOHHNMCZRMSX-IBGZPJMESA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000894624224 618404685 /nfs/dbraw/zinc/40/46/85/618404685.db2.gz UQOOHHNMCZRMSX-IBGZPJMESA-N 2 2 301.478 3.198 20 0 DGADLP CC[NH+](CC)CCCC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893122773 618435908 /nfs/dbraw/zinc/43/59/08/618435908.db2.gz ASHYWRNHLKJEQM-UHFFFAOYSA-N 2 2 315.465 3.068 20 0 DGADLP COCc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000925098122 618493804 /nfs/dbraw/zinc/49/38/04/618493804.db2.gz RJRCBTQDFMIUQD-ZWKOTPCHSA-N 2 2 306.425 3.079 20 0 DGADLP COCc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1F ZINC000925098122 618493807 /nfs/dbraw/zinc/49/38/07/618493807.db2.gz RJRCBTQDFMIUQD-ZWKOTPCHSA-N 2 2 306.425 3.079 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H]3CCC[NH2+][C@@H]3C)ccc2n1C1CC1 ZINC000925663874 618523453 /nfs/dbraw/zinc/52/34/53/618523453.db2.gz AVUCQMCLQZHIIV-CJNGLKHVSA-N 2 2 312.461 3.164 20 0 DGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)o1 ZINC000925676217 618526932 /nfs/dbraw/zinc/52/69/32/618526932.db2.gz YTDFHDAMAUVGLR-HOTGVXAUSA-N 2 2 305.466 3.193 20 0 DGADLP CC(C)[C@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110308 618539353 /nfs/dbraw/zinc/53/93/53/618539353.db2.gz IBVUAJLEMNDRAM-BRSBDYLESA-N 2 2 317.477 3.362 20 0 DGADLP COC[C@@H](CC(C)C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110654 618539475 /nfs/dbraw/zinc/53/94/75/618539475.db2.gz SFOGIQNLGHCDNK-BRWVUGGUSA-N 2 2 305.466 3.219 20 0 DGADLP Cc1c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)ccnc1F ZINC000895116133 618541034 /nfs/dbraw/zinc/54/10/34/618541034.db2.gz SAYPUXSLLUJBNK-WKILWMFISA-N 2 2 314.408 3.201 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000895291056 618588933 /nfs/dbraw/zinc/58/89/33/618588933.db2.gz ZDVINJPWVFQAFC-KPFFTGBYSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000895291056 618588936 /nfs/dbraw/zinc/58/89/36/618588936.db2.gz ZDVINJPWVFQAFC-KPFFTGBYSA-N 3 2 315.505 3.284 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925793255 618620811 /nfs/dbraw/zinc/62/08/11/618620811.db2.gz HYDOTJDDDMOBAY-SJORKVTESA-N 2 2 302.462 3.113 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795749 618621535 /nfs/dbraw/zinc/62/15/35/618621535.db2.gz PBQCHBUVIBTEQO-NVXWUHKLSA-N 2 2 320.864 3.076 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc(C)c1F ZINC000925796507 618621688 /nfs/dbraw/zinc/62/16/88/618621688.db2.gz MJFHPSDWWAKMQE-RDJZCZTQSA-N 2 2 320.452 3.252 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000893640230 618628048 /nfs/dbraw/zinc/62/80/48/618628048.db2.gz LUTLJTYQISWNHA-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000893640230 618628049 /nfs/dbraw/zinc/62/80/49/618628049.db2.gz LUTLJTYQISWNHA-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894057024 618701449 /nfs/dbraw/zinc/70/14/49/618701449.db2.gz DUAHGMMHHSPQCJ-INIZCTEOSA-N 2 2 320.477 3.176 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894057024 618701452 /nfs/dbraw/zinc/70/14/52/618701452.db2.gz DUAHGMMHHSPQCJ-INIZCTEOSA-N 2 2 320.477 3.176 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H](C2CC2)C2CCOCC2)[nH+]c1 ZINC000924927817 618740767 /nfs/dbraw/zinc/74/07/67/618740767.db2.gz RUZPXCMCFNYRDW-SFHVURJKSA-N 2 2 303.450 3.069 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3cccc4c3OCC4)CC2)[nH+]c1 ZINC000896192108 618883765 /nfs/dbraw/zinc/88/37/65/618883765.db2.gz HDAHVODURPFHPR-UHFFFAOYSA-N 2 2 309.413 3.093 20 0 DGADLP CC(=O)Nc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195741 618884262 /nfs/dbraw/zinc/88/42/62/618884262.db2.gz PNAZGFVPWYIYQQ-UHFFFAOYSA-N 2 2 324.428 3.117 20 0 DGADLP CC(C)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccn1 ZINC000896661733 618941957 /nfs/dbraw/zinc/94/19/57/618941957.db2.gz VMHALZBRHIIJDI-UHFFFAOYSA-N 2 2 321.428 3.321 20 0 DGADLP CC(C)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccn1 ZINC000896661733 618941960 /nfs/dbraw/zinc/94/19/60/618941960.db2.gz VMHALZBRHIIJDI-UHFFFAOYSA-N 2 2 321.428 3.321 20 0 DGADLP CO[C@H](C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CCCCC1 ZINC000896716598 618949979 /nfs/dbraw/zinc/94/99/79/618949979.db2.gz KBKIRGNXFHEYOA-RBUKOAKNSA-N 2 2 319.493 3.259 20 0 DGADLP CCSCC[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000896873103 618973400 /nfs/dbraw/zinc/97/34/00/618973400.db2.gz JVGDNUUHJDYYCN-UHFFFAOYSA-N 2 2 322.518 3.010 20 0 DGADLP CCSCC[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000896873103 618973402 /nfs/dbraw/zinc/97/34/02/618973402.db2.gz JVGDNUUHJDYYCN-UHFFFAOYSA-N 2 2 322.518 3.010 20 0 DGADLP CC(C)c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000897228280 619032562 /nfs/dbraw/zinc/03/25/62/619032562.db2.gz KWRAHZRRQLVOCT-FQEVSTJZSA-N 2 2 316.489 3.195 20 0 DGADLP CC(C)c1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000897228280 619032564 /nfs/dbraw/zinc/03/25/64/619032564.db2.gz KWRAHZRRQLVOCT-FQEVSTJZSA-N 2 2 316.489 3.195 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178178 619067038 /nfs/dbraw/zinc/06/70/38/619067038.db2.gz HWPNYQUOQHHVHI-LPHOPBHVSA-N 2 2 320.440 3.320 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000788988423 625316133 /nfs/dbraw/zinc/31/61/33/625316133.db2.gz QOMXDBSQQFKZNT-RDTXWAMCSA-N 2 2 302.462 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000788988423 625316137 /nfs/dbraw/zinc/31/61/37/625316137.db2.gz QOMXDBSQQFKZNT-RDTXWAMCSA-N 2 2 302.462 3.492 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCS1 ZINC000927029783 619258239 /nfs/dbraw/zinc/25/82/39/619258239.db2.gz FWADJYUWXDRVEX-LHHMISFZSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCS1 ZINC000927029783 619258241 /nfs/dbraw/zinc/25/82/41/619258241.db2.gz FWADJYUWXDRVEX-LHHMISFZSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C[NH+](C)C)c1 ZINC000924729764 619268590 /nfs/dbraw/zinc/26/85/90/619268590.db2.gz BEXCNZRIJNIKRO-INIZCTEOSA-N 3 2 300.450 3.076 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(C)(C)O)cc1 ZINC000924731839 619273678 /nfs/dbraw/zinc/27/36/78/619273678.db2.gz KVJOUJLVHZOMEL-HNNXBMFYSA-N 2 2 301.434 3.242 20 0 DGADLP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924767595 619381982 /nfs/dbraw/zinc/38/19/82/619381982.db2.gz BNCKJDSCZWSHAH-SJLPKXTDSA-N 2 2 301.434 3.292 20 0 DGADLP CC(C)Oc1ccccc1-c1cc(C[NH+]2CCC([NH3+])CC2)on1 ZINC000901397820 619495341 /nfs/dbraw/zinc/49/53/41/619495341.db2.gz FLZZFFHGZZJMJX-UHFFFAOYSA-N 2 2 315.417 3.052 20 0 DGADLP CNc1ccc(C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000902087727 619588059 /nfs/dbraw/zinc/58/80/59/619588059.db2.gz XCLBSANGZVTRLV-KRWDZBQOSA-N 2 2 300.450 3.438 20 0 DGADLP COc1ccc2[nH+]c(C)cc(OCCCc3c[nH+]cn3C)c2c1 ZINC000902123776 619592912 /nfs/dbraw/zinc/59/29/12/619592912.db2.gz NVXGHIVPETVXBO-UHFFFAOYSA-N 2 2 311.385 3.297 20 0 DGADLP CCn1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000902267374 619613061 /nfs/dbraw/zinc/61/30/61/619613061.db2.gz VQHMQSGRVVNNMR-WMLDXEAASA-N 2 2 318.490 3.137 20 0 DGADLP CCn1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000902267374 619613062 /nfs/dbraw/zinc/61/30/62/619613062.db2.gz VQHMQSGRVVNNMR-WMLDXEAASA-N 2 2 318.490 3.137 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000902315520 619617891 /nfs/dbraw/zinc/61/78/91/619617891.db2.gz MLZUZEWKGWUHLX-LBPRGKRZSA-N 2 2 305.447 3.271 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C2CC2)c1 ZINC000902437210 619635885 /nfs/dbraw/zinc/63/58/85/619635885.db2.gz HGIQHRXKWKMUDY-NJDAHSKKSA-N 2 2 322.452 3.231 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443119 619637219 /nfs/dbraw/zinc/63/72/19/619637219.db2.gz CUONEZWZTXAESO-PBHICJAKSA-N 2 2 317.477 3.115 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902478491 619639130 /nfs/dbraw/zinc/63/91/30/619639130.db2.gz XNMAEJBOHHDBEA-QRZGQJJPSA-N 2 2 321.262 3.480 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c2ccccc21 ZINC000902452132 619639816 /nfs/dbraw/zinc/63/98/16/619639816.db2.gz JDEDCGPVJBRCHO-IAGOWNOFSA-N 2 2 322.408 3.181 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902470858 619642230 /nfs/dbraw/zinc/64/22/30/619642230.db2.gz HUFDJCDZNWKWAN-KNIMUDFMSA-N 2 2 300.446 3.409 20 0 DGADLP COCCC[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000902483044 619645758 /nfs/dbraw/zinc/64/57/58/619645758.db2.gz ORJKVQHOFVUONR-ZWKOTPCHSA-N 2 2 308.441 3.415 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000902748545 619669792 /nfs/dbraw/zinc/66/97/92/619669792.db2.gz NMGRLHYJMKGSJJ-JCGIZDLHSA-N 2 2 316.445 3.059 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000902748545 619669793 /nfs/dbraw/zinc/66/97/93/619669793.db2.gz NMGRLHYJMKGSJJ-JCGIZDLHSA-N 2 2 316.445 3.059 20 0 DGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)c[nH+]1 ZINC000902758801 619671461 /nfs/dbraw/zinc/67/14/61/619671461.db2.gz INJCRVOXSNCJBY-MSOLQXFVSA-N 2 2 305.466 3.238 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)Cn1cc[nH+]c1 ZINC000902776299 619674041 /nfs/dbraw/zinc/67/40/41/619674041.db2.gz OVYKRGQYSJVYFF-BPQIPLTHSA-N 2 2 305.466 3.094 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902831553 619681944 /nfs/dbraw/zinc/68/19/44/619681944.db2.gz BAFAFUKXUONEFF-APWZRJJASA-N 2 2 321.424 3.299 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1COc2ccccc2C1 ZINC000902835782 619682116 /nfs/dbraw/zinc/68/21/16/619682116.db2.gz OXPRUNLMYDSVHW-RDJZCZTQSA-N 2 2 311.429 3.113 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000902843697 619683407 /nfs/dbraw/zinc/68/34/07/619683407.db2.gz XDKLCDRRGQKYFW-JEDBISTDSA-N 2 2 311.429 3.481 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902880994 619687734 /nfs/dbraw/zinc/68/77/34/619687734.db2.gz CLERKQPJDKOILY-GOEBONIOSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902880996 619687878 /nfs/dbraw/zinc/68/78/78/619687878.db2.gz CLERKQPJDKOILY-ZBFHGGJFSA-N 2 2 301.434 3.320 20 0 DGADLP CCC(CC)(CO)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902886639 619688395 /nfs/dbraw/zinc/68/83/95/619688395.db2.gz QRCQBCKANYOYOW-HNNXBMFYSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000902893601 619689506 /nfs/dbraw/zinc/68/95/06/619689506.db2.gz ADBDYXMVFJUBDD-PIKADFDJSA-N 2 2 323.440 3.481 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000902969065 619696153 /nfs/dbraw/zinc/69/61/53/619696153.db2.gz BIXUCGAXWHXPTD-PBHICJAKSA-N 2 2 301.434 3.318 20 0 DGADLP C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902956473 619697123 /nfs/dbraw/zinc/69/71/23/619697123.db2.gz ISXNTKGDJJRGLG-WMLDXEAASA-N 2 2 311.385 3.240 20 0 DGADLP CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038107 619705505 /nfs/dbraw/zinc/70/55/05/619705505.db2.gz HGFUMRCXVUVOSE-DAYGRLMNSA-N 2 2 301.434 3.320 20 0 DGADLP CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038550 619705530 /nfs/dbraw/zinc/70/55/30/619705530.db2.gz YFYHMRPTCBPRGN-ZOBUZTSGSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903047184 619710292 /nfs/dbraw/zinc/71/02/92/619710292.db2.gz IRUXAXOVERJBCS-KSZLIROESA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903047184 619710294 /nfs/dbraw/zinc/71/02/94/619710294.db2.gz IRUXAXOVERJBCS-KSZLIROESA-N 2 2 308.510 3.434 20 0 DGADLP CC(=O)OCc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000903075163 619711626 /nfs/dbraw/zinc/71/16/26/619711626.db2.gz QUHHILONOZDALB-HNNXBMFYSA-N 2 2 315.417 3.077 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903074509 619715867 /nfs/dbraw/zinc/71/58/67/619715867.db2.gz NJXAYCNWTVPCAD-ONQFOCNCSA-N 3 2 316.493 3.045 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074509 619715868 /nfs/dbraw/zinc/71/58/68/619715868.db2.gz NJXAYCNWTVPCAD-ONQFOCNCSA-N 3 2 316.493 3.045 20 0 DGADLP F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903192663 619733484 /nfs/dbraw/zinc/73/34/84/619733484.db2.gz QBNYNXNWTZKPEO-FWCIAMDOSA-N 2 2 300.421 3.371 20 0 DGADLP F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903192663 619733485 /nfs/dbraw/zinc/73/34/85/619733485.db2.gz QBNYNXNWTZKPEO-FWCIAMDOSA-N 2 2 300.421 3.371 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385413 619769406 /nfs/dbraw/zinc/76/94/06/619769406.db2.gz XHLTVDFRURQIAR-KXBFYZLASA-N 2 2 315.436 3.434 20 0 DGADLP Cc1ncccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903416028 619772704 /nfs/dbraw/zinc/77/27/04/619772704.db2.gz OQIOFPFLXVTXBP-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C)c2Br)C1 ZINC000903713618 619806544 /nfs/dbraw/zinc/80/65/44/619806544.db2.gz XRIKJBCSXSPKEG-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C)c2Br)C1 ZINC000903713618 619806547 /nfs/dbraw/zinc/80/65/47/619806547.db2.gz XRIKJBCSXSPKEG-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nc3c(o2)CCCC3)CCC1 ZINC000903810500 619817528 /nfs/dbraw/zinc/81/75/28/619817528.db2.gz CJTNKKPQWWQJOQ-INIZCTEOSA-N 2 2 303.450 3.037 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nc3c(o2)CCCC3)CCC1 ZINC000903810500 619817529 /nfs/dbraw/zinc/81/75/29/619817529.db2.gz CJTNKKPQWWQJOQ-INIZCTEOSA-N 2 2 303.450 3.037 20 0 DGADLP c1ccc([C@@H]2CCC[C@@H](C[N@@H+]3CCC[C@]34CC[NH2+]C4)O2)cc1 ZINC000903870944 619827270 /nfs/dbraw/zinc/82/72/70/619827270.db2.gz PXENYFUODFAWIP-GBESFXJTSA-N 2 2 300.446 3.125 20 0 DGADLP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CCC[C@]34CC[NH2+]C4)O2)cc1 ZINC000903870944 619827272 /nfs/dbraw/zinc/82/72/72/619827272.db2.gz PXENYFUODFAWIP-GBESFXJTSA-N 2 2 300.446 3.125 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000903885210 619828501 /nfs/dbraw/zinc/82/85/01/619828501.db2.gz JNLWSOHWLUFXCD-UONOGXRCSA-N 2 2 307.388 3.330 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000903885210 619828504 /nfs/dbraw/zinc/82/85/04/619828504.db2.gz JNLWSOHWLUFXCD-UONOGXRCSA-N 2 2 307.388 3.330 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959730 619839933 /nfs/dbraw/zinc/83/99/33/619839933.db2.gz NBHRFNGRUUIQIZ-LJQANCHMSA-N 2 2 312.461 3.022 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959730 619839934 /nfs/dbraw/zinc/83/99/34/619839934.db2.gz NBHRFNGRUUIQIZ-LJQANCHMSA-N 2 2 312.461 3.022 20 0 DGADLP CCSc1cccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903973090 619847325 /nfs/dbraw/zinc/84/73/25/619847325.db2.gz OELWEPLRCQUWSG-INIZCTEOSA-N 2 2 320.502 3.047 20 0 DGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974902 619848052 /nfs/dbraw/zinc/84/80/52/619848052.db2.gz VBAQYPMJPZLXRM-SFHVURJKSA-N 2 2 316.489 3.232 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000904451312 619923522 /nfs/dbraw/zinc/92/35/22/619923522.db2.gz XFEYCEKNDMHSHT-UHFFFAOYSA-N 2 2 312.257 3.305 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH+](C)C)CCCCC2)c(C)[nH+]1 ZINC000905154528 619973355 /nfs/dbraw/zinc/97/33/55/619973355.db2.gz FMULYALLPHYAEW-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000905454427 620000728 /nfs/dbraw/zinc/00/07/28/620000728.db2.gz SIXXAZIERYFKJD-WOJBJXKFSA-N 2 2 321.424 3.256 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000906424055 620097184 /nfs/dbraw/zinc/09/71/84/620097184.db2.gz HFHFERMTVKJIDP-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000906424055 620097185 /nfs/dbraw/zinc/09/71/85/620097185.db2.gz HFHFERMTVKJIDP-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP CSC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000151011812 620418709 /nfs/dbraw/zinc/41/87/09/620418709.db2.gz HINHXLVHUMFFLZ-CQSZACIVSA-N 2 2 307.507 3.063 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000152096501 620491536 /nfs/dbraw/zinc/49/15/36/620491536.db2.gz HXMZJMARDMZVIC-UHFFFAOYSA-N 2 2 321.428 3.350 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921575838 620911455 /nfs/dbraw/zinc/91/14/55/620911455.db2.gz BRAFCEJXZUDPBT-MRXNPFEDSA-N 2 2 301.438 3.009 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c[nH+]1 ZINC000921588491 620912049 /nfs/dbraw/zinc/91/20/49/620912049.db2.gz FDCXEVBBRBGOGF-KBAYOESNSA-N 2 2 311.429 3.167 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc2)[nH+]c1C ZINC000921659123 620929114 /nfs/dbraw/zinc/92/91/14/620929114.db2.gz AOKACOKQYLWMAX-MRXNPFEDSA-N 2 2 314.433 3.218 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000921745843 620943680 /nfs/dbraw/zinc/94/36/80/620943680.db2.gz PUQHELUTWBYDJG-UHFFFAOYSA-N 2 2 324.831 3.116 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747297 621092823 /nfs/dbraw/zinc/09/28/23/621092823.db2.gz XTIMJSPXOAKYMC-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747297 621092827 /nfs/dbraw/zinc/09/28/27/621092827.db2.gz XTIMJSPXOAKYMC-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2)c[nH+]1 ZINC000922892744 621120221 /nfs/dbraw/zinc/12/02/21/621120221.db2.gz QRSHXQLRMONXFE-HKUYNNGSSA-N 2 2 311.429 3.167 20 0 DGADLP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3CCC[NH2+]C3CC3)O2)cc1 ZINC000923393328 621181173 /nfs/dbraw/zinc/18/11/73/621181173.db2.gz ONWVBEJJOGHBRW-FHWLQOOXSA-N 2 2 300.446 3.123 20 0 DGADLP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3CCC[NH2+]C3CC3)O2)cc1 ZINC000923393328 621181177 /nfs/dbraw/zinc/18/11/77/621181177.db2.gz ONWVBEJJOGHBRW-FHWLQOOXSA-N 2 2 300.446 3.123 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899367 621300546 /nfs/dbraw/zinc/30/05/46/621300546.db2.gz UXPROCQGLVNGAL-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899367 621300550 /nfs/dbraw/zinc/30/05/50/621300550.db2.gz UXPROCQGLVNGAL-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899367 621300554 /nfs/dbraw/zinc/30/05/54/621300554.db2.gz UXPROCQGLVNGAL-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899367 621300560 /nfs/dbraw/zinc/30/05/60/621300560.db2.gz UXPROCQGLVNGAL-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000753849184 621468348 /nfs/dbraw/zinc/46/83/48/621468348.db2.gz PPVKSBFIHSWTKO-AXIDZEKWSA-N 2 2 320.864 3.196 20 0 DGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000753849184 621468349 /nfs/dbraw/zinc/46/83/49/621468349.db2.gz PPVKSBFIHSWTKO-AXIDZEKWSA-N 2 2 320.864 3.196 20 0 DGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000753849185 621468424 /nfs/dbraw/zinc/46/84/24/621468424.db2.gz PPVKSBFIHSWTKO-FCBCJYRNSA-N 2 2 320.864 3.196 20 0 DGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000753849185 621468425 /nfs/dbraw/zinc/46/84/25/621468425.db2.gz PPVKSBFIHSWTKO-FCBCJYRNSA-N 2 2 320.864 3.196 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1O ZINC000756099746 621614803 /nfs/dbraw/zinc/61/48/03/621614803.db2.gz TUYXTGXAHADREU-JKSUJKDBSA-N 2 2 320.477 3.186 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1O ZINC000756099743 621614991 /nfs/dbraw/zinc/61/49/91/621614991.db2.gz TUYXTGXAHADREU-HOTGVXAUSA-N 2 2 320.477 3.186 20 0 DGADLP c1cn(Cc2cccc(-c3ccc([C@H]4COCC[NH2+]4)cc3)c2)c[nH+]1 ZINC000863690249 621701151 /nfs/dbraw/zinc/70/11/51/621701151.db2.gz NQFOWIWGBLMWDM-HXUWFJFHSA-N 2 2 319.408 3.259 20 0 DGADLP c1cn(Cc2cccc(-c3ccc([C@H]4C[NH2+]CCO4)cc3)c2)c[nH+]1 ZINC000863690019 621701378 /nfs/dbraw/zinc/70/13/78/621701378.db2.gz IOBMAOWWPIRAJP-HXUWFJFHSA-N 2 2 319.408 3.259 20 0 DGADLP CC[N@H+](CCF)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000759344563 621847913 /nfs/dbraw/zinc/84/79/13/621847913.db2.gz RUTHOWJUYBMJRU-UHFFFAOYSA-N 2 2 308.445 3.169 20 0 DGADLP CC[N@@H+](CCF)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000759344563 621847915 /nfs/dbraw/zinc/84/79/15/621847915.db2.gz RUTHOWJUYBMJRU-UHFFFAOYSA-N 2 2 308.445 3.169 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000865425538 621917586 /nfs/dbraw/zinc/91/75/86/621917586.db2.gz OJVUGMDIOAHORD-UHFFFAOYSA-N 2 2 313.323 3.194 20 0 DGADLP C[C@H]([NH2+]Cc1cn(C2CC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865524553 621942601 /nfs/dbraw/zinc/94/26/01/621942601.db2.gz XBCAAWIYTUTGGL-FUHWJXTLSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]([NH2+]Cc1cn(C2CC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000865524553 621942604 /nfs/dbraw/zinc/94/26/04/621942604.db2.gz XBCAAWIYTUTGGL-FUHWJXTLSA-N 2 2 324.472 3.218 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C(C)(C)C ZINC000865532716 621945012 /nfs/dbraw/zinc/94/50/12/621945012.db2.gz MDJPFKCYFYJNQG-HNNXBMFYSA-N 2 2 313.445 3.294 20 0 DGADLP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000866206093 622066367 /nfs/dbraw/zinc/06/63/67/622066367.db2.gz BEHFAHMRYGGQFG-WFASDCNBSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000866206093 622066369 /nfs/dbraw/zinc/06/63/69/622066369.db2.gz BEHFAHMRYGGQFG-WFASDCNBSA-N 2 2 301.821 3.419 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866222594 622069441 /nfs/dbraw/zinc/06/94/41/622069441.db2.gz MEGWOEPTDBRYLA-HKUYNNGSSA-N 2 2 314.404 3.310 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000866243963 622074854 /nfs/dbraw/zinc/07/48/54/622074854.db2.gz JYHRWKJNWVEVEP-RBUKOAKNSA-N 2 2 311.429 3.310 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000762925178 622111229 /nfs/dbraw/zinc/11/12/29/622111229.db2.gz CAZANJICNFUYRG-UHFFFAOYSA-N 2 2 321.465 3.216 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000866402209 622112221 /nfs/dbraw/zinc/11/22/21/622112221.db2.gz IYLICCPGSHKPJH-NUJGCVRESA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000866402209 622112225 /nfs/dbraw/zinc/11/22/25/622112225.db2.gz IYLICCPGSHKPJH-NUJGCVRESA-N 2 2 319.518 3.025 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000766437059 622329736 /nfs/dbraw/zinc/32/97/36/622329736.db2.gz CYSKAKRVOFFFGK-MAUKXSAKSA-N 2 2 322.518 3.043 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000767349419 622392047 /nfs/dbraw/zinc/39/20/47/622392047.db2.gz SRHIGZJXQYMZBD-UHFFFAOYSA-N 2 2 323.444 3.289 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000767349419 622392049 /nfs/dbraw/zinc/39/20/49/622392049.db2.gz SRHIGZJXQYMZBD-UHFFFAOYSA-N 2 2 323.444 3.289 20 0 DGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc2c1COC2 ZINC000768240327 622447241 /nfs/dbraw/zinc/44/72/41/622447241.db2.gz SZHRHPLXJLJWNH-UHFFFAOYSA-N 2 2 300.446 3.167 20 0 DGADLP CC(C)C[C@H](CN(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123105369 622463821 /nfs/dbraw/zinc/46/38/21/622463821.db2.gz LCUNBGUELPZIQK-HXUWFJFHSA-N 2 2 317.521 3.217 20 0 DGADLP C[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000768586722 622466061 /nfs/dbraw/zinc/46/60/61/622466061.db2.gz BUGKCCVUORPHAI-GTPINHCMSA-N 2 2 324.509 3.351 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871877214 622725996 /nfs/dbraw/zinc/72/59/96/622725996.db2.gz BPQJFKMLQFVPDL-GOSISDBHSA-N 2 2 317.477 3.175 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000871877395 622726085 /nfs/dbraw/zinc/72/60/85/622726085.db2.gz IDKSTWDYUDFTQM-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000872017338 622753609 /nfs/dbraw/zinc/75/36/09/622753609.db2.gz ZJIDAGDDFAXLKT-GOSISDBHSA-N 2 2 319.424 3.038 20 0 DGADLP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000872022455 622756946 /nfs/dbraw/zinc/75/69/46/622756946.db2.gz XBSIIOJAQILIDT-YJBOKZPZSA-N 2 2 319.424 3.037 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872024812 622757971 /nfs/dbraw/zinc/75/79/71/622757971.db2.gz VYMFCEKNAOWPCQ-JYJNAYRXSA-N 2 2 307.482 3.481 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129435 622823641 /nfs/dbraw/zinc/82/36/41/622823641.db2.gz BFWPTEIAJZNFJG-LOWVWBTDSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129435 622823647 /nfs/dbraw/zinc/82/36/47/622823647.db2.gz BFWPTEIAJZNFJG-LOWVWBTDSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000872151186 622835599 /nfs/dbraw/zinc/83/55/99/622835599.db2.gz BSJQAPYPBZXYNO-SUMWQHHRSA-N 2 2 317.820 3.036 20 0 DGADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000872151186 622835610 /nfs/dbraw/zinc/83/56/10/622835610.db2.gz BSJQAPYPBZXYNO-SUMWQHHRSA-N 2 2 317.820 3.036 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)ccc1F ZINC000774411575 623140814 /nfs/dbraw/zinc/14/08/14/623140814.db2.gz QAZPHKAIWAPLCF-ZIFCJYIRSA-N 2 2 318.436 3.038 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)ccc1F ZINC000774411575 623140820 /nfs/dbraw/zinc/14/08/20/623140820.db2.gz QAZPHKAIWAPLCF-ZIFCJYIRSA-N 2 2 318.436 3.038 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)ccc1F ZINC000774411563 623141262 /nfs/dbraw/zinc/14/12/62/623141262.db2.gz QAZPHKAIWAPLCF-YQVWRLOYSA-N 2 2 318.436 3.038 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)ccc1F ZINC000774411563 623141263 /nfs/dbraw/zinc/14/12/63/623141263.db2.gz QAZPHKAIWAPLCF-YQVWRLOYSA-N 2 2 318.436 3.038 20 0 DGADLP CCOc1ccc(C[N@H+](CCF)CCCn2cc[nH+]c2)cc1 ZINC000774775103 623189418 /nfs/dbraw/zinc/18/94/18/623189418.db2.gz JBMLWJRWTGNRNX-UHFFFAOYSA-N 2 2 305.397 3.144 20 0 DGADLP CCOc1ccc(C[N@@H+](CCF)CCCn2cc[nH+]c2)cc1 ZINC000774775103 623189422 /nfs/dbraw/zinc/18/94/22/623189422.db2.gz JBMLWJRWTGNRNX-UHFFFAOYSA-N 2 2 305.397 3.144 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000775189158 623240445 /nfs/dbraw/zinc/24/04/45/623240445.db2.gz CCIABLAMIXDXFF-NSHDSACASA-N 2 2 324.222 3.155 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000775189158 623240450 /nfs/dbraw/zinc/24/04/50/623240450.db2.gz CCIABLAMIXDXFF-NSHDSACASA-N 2 2 324.222 3.155 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[N@@H+]1CCCC[C@H]1C ZINC000775370090 623261207 /nfs/dbraw/zinc/26/12/07/623261207.db2.gz LCTQNWLUYOWDFY-OXGONZEZSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[N@H+]1CCCC[C@H]1C ZINC000775370090 623261214 /nfs/dbraw/zinc/26/12/14/623261214.db2.gz LCTQNWLUYOWDFY-OXGONZEZSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775386819 623265018 /nfs/dbraw/zinc/26/50/18/623265018.db2.gz UQFUSXMFZAUHSA-LEOABGAYSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775386819 623265020 /nfs/dbraw/zinc/26/50/20/623265020.db2.gz UQFUSXMFZAUHSA-LEOABGAYSA-N 2 2 314.564 3.219 20 0 DGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCOC1 ZINC000776807178 623465643 /nfs/dbraw/zinc/46/56/43/623465643.db2.gz VKMIPDJASDBNHR-LPHOPBHVSA-N 2 2 317.477 3.056 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C1CCC1 ZINC000777096602 623496211 /nfs/dbraw/zinc/49/62/11/623496211.db2.gz PPIBNFPQWVLJKD-OAHLLOKOSA-N 2 2 317.477 3.438 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000876762872 623699984 /nfs/dbraw/zinc/69/99/84/623699984.db2.gz AYTCODIRCMZMFY-RYUDHWBXSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000876762872 623699986 /nfs/dbraw/zinc/69/99/86/623699986.db2.gz AYTCODIRCMZMFY-RYUDHWBXSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762872 623699989 /nfs/dbraw/zinc/69/99/89/623699989.db2.gz AYTCODIRCMZMFY-RYUDHWBXSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762872 623699992 /nfs/dbraw/zinc/69/99/92/623699992.db2.gz AYTCODIRCMZMFY-RYUDHWBXSA-N 2 2 307.825 3.396 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CC3 ZINC000779070619 623727408 /nfs/dbraw/zinc/72/74/08/623727408.db2.gz BVFJOBVQQUDMRB-HZPDHXFCSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CC3 ZINC000779070619 623727412 /nfs/dbraw/zinc/72/74/12/623727412.db2.gz BVFJOBVQQUDMRB-HZPDHXFCSA-N 2 2 311.473 3.408 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000876931104 623746961 /nfs/dbraw/zinc/74/69/61/623746961.db2.gz IVBKBWNQFGWHSZ-SXGZJXTBSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000876931104 623746967 /nfs/dbraw/zinc/74/69/67/623746967.db2.gz IVBKBWNQFGWHSZ-SXGZJXTBSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000876931676 623748199 /nfs/dbraw/zinc/74/81/99/623748199.db2.gz RKMYGLHXPCMZKM-SXGZJXTBSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000876931676 623748201 /nfs/dbraw/zinc/74/82/01/623748201.db2.gz RKMYGLHXPCMZKM-SXGZJXTBSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000876956793 623753575 /nfs/dbraw/zinc/75/35/75/623753575.db2.gz NWGMVVZEJDFQPA-SIFCLUCFSA-N 2 2 304.415 3.173 20 0 DGADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)Cc1ccccc1 ZINC000876955764 623753920 /nfs/dbraw/zinc/75/39/20/623753920.db2.gz CDFBGHVUVGZLDT-ZWKOTPCHSA-N 2 2 315.461 3.145 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCc2cc(C)cc(C)c2)CC1 ZINC000877046779 623775303 /nfs/dbraw/zinc/77/53/03/623775303.db2.gz SWTZANOIKMXYIM-UHFFFAOYSA-N 2 2 318.505 3.325 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877052575 623777185 /nfs/dbraw/zinc/77/71/85/623777185.db2.gz TZHUYDWAOJPAOD-PKOBYXMFSA-N 2 2 310.445 3.176 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877052575 623777189 /nfs/dbraw/zinc/77/71/89/623777189.db2.gz TZHUYDWAOJPAOD-PKOBYXMFSA-N 2 2 310.445 3.176 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000877066258 623781804 /nfs/dbraw/zinc/78/18/04/623781804.db2.gz HVULEJDGQFNNQW-RYQLBKOJSA-N 2 2 315.461 3.355 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000877479526 623901859 /nfs/dbraw/zinc/90/18/59/623901859.db2.gz WSXPNYGMCNHEEM-NVAPDCRFSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000877479526 623901861 /nfs/dbraw/zinc/90/18/61/623901861.db2.gz WSXPNYGMCNHEEM-NVAPDCRFSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000877622676 623966868 /nfs/dbraw/zinc/96/68/68/623966868.db2.gz SADQRNUMJZNCFQ-YRVVQQKDSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000877622676 623966875 /nfs/dbraw/zinc/96/68/75/623966875.db2.gz SADQRNUMJZNCFQ-YRVVQQKDSA-N 2 2 304.415 3.172 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742628 624014894 /nfs/dbraw/zinc/01/48/94/624014894.db2.gz QGNVHLCVEZWCLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742628 624014899 /nfs/dbraw/zinc/01/48/99/624014899.db2.gz QGNVHLCVEZWCLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742628 624014904 /nfs/dbraw/zinc/01/49/04/624014904.db2.gz QGNVHLCVEZWCLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742628 624014907 /nfs/dbraw/zinc/01/49/07/624014907.db2.gz QGNVHLCVEZWCLF-PBHICJAKSA-N 2 2 315.848 3.414 20 0 DGADLP Cc1nc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393913 624065335 /nfs/dbraw/zinc/06/53/35/624065335.db2.gz JAYXMHYCIMCJCO-GOEBONIOSA-N 2 2 302.466 3.467 20 0 DGADLP Cc1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393913 624065336 /nfs/dbraw/zinc/06/53/36/624065336.db2.gz JAYXMHYCIMCJCO-GOEBONIOSA-N 2 2 302.466 3.467 20 0 DGADLP c1cn(C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC2)c[nH+]1 ZINC000878172887 624201831 /nfs/dbraw/zinc/20/18/31/624201831.db2.gz NUQGWKQOQMYCFD-OALUTQOASA-N 2 2 311.429 3.440 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396750 624266047 /nfs/dbraw/zinc/26/60/47/624266047.db2.gz KOJVBOSIVAULIT-YJBOKZPZSA-N 2 2 311.429 3.482 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782755862 624280224 /nfs/dbraw/zinc/28/02/24/624280224.db2.gz BHMJYBRRMJZKOU-RBUKOAKNSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782769504 624281975 /nfs/dbraw/zinc/28/19/75/624281975.db2.gz WMFZLRBEXCEMHV-VQIMIIECSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782769504 624281976 /nfs/dbraw/zinc/28/19/76/624281976.db2.gz WMFZLRBEXCEMHV-VQIMIIECSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000783241213 624329198 /nfs/dbraw/zinc/32/91/98/624329198.db2.gz RVDYYGKRRNLMOS-CRAIPNDOSA-N 2 2 321.896 3.240 20 0 DGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784591164 624553818 /nfs/dbraw/zinc/55/38/18/624553818.db2.gz FQTHOMVRMILYPT-DOMZBBRYSA-N 2 2 317.414 3.129 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000880089345 624781916 /nfs/dbraw/zinc/78/19/16/624781916.db2.gz AVBVPDRUPGPDIF-GOEBONIOSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000880089345 624781920 /nfs/dbraw/zinc/78/19/20/624781920.db2.gz AVBVPDRUPGPDIF-GOEBONIOSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000880089345 624781924 /nfs/dbraw/zinc/78/19/24/624781924.db2.gz AVBVPDRUPGPDIF-GOEBONIOSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000880089345 624781928 /nfs/dbraw/zinc/78/19/28/624781928.db2.gz AVBVPDRUPGPDIF-GOEBONIOSA-N 2 2 318.461 3.107 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880132637 624799882 /nfs/dbraw/zinc/79/98/82/624799882.db2.gz PWVFNKQZQTXLAA-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880132637 624799884 /nfs/dbraw/zinc/79/98/84/624799884.db2.gz PWVFNKQZQTXLAA-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880132637 624799886 /nfs/dbraw/zinc/79/98/86/624799886.db2.gz PWVFNKQZQTXLAA-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880132637 624799889 /nfs/dbraw/zinc/79/98/89/624799889.db2.gz PWVFNKQZQTXLAA-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208458 624842385 /nfs/dbraw/zinc/84/23/85/624842385.db2.gz SDMZVCLHTKIHSM-RTBURBONSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208458 624842390 /nfs/dbraw/zinc/84/23/90/624842390.db2.gz SDMZVCLHTKIHSM-RTBURBONSA-N 2 2 302.462 3.371 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209669 624844446 /nfs/dbraw/zinc/84/44/46/624844446.db2.gz XDHCOIRXDNWAAC-ICSRJNTNSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209669 624844456 /nfs/dbraw/zinc/84/44/56/624844456.db2.gz XDHCOIRXDNWAAC-ICSRJNTNSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209372 624844843 /nfs/dbraw/zinc/84/48/43/624844843.db2.gz SWDPFGRRWXXQBX-YLJYHZDGSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209372 624844848 /nfs/dbraw/zinc/84/48/48/624844848.db2.gz SWDPFGRRWXXQBX-YLJYHZDGSA-N 2 2 316.489 3.241 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](CCSc2ccccc2F)CC1 ZINC000880472547 624964644 /nfs/dbraw/zinc/96/46/44/624964644.db2.gz SMGBBGFSMCXGQG-UHFFFAOYSA-N 2 2 308.466 3.478 20 0 DGADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC(C)C ZINC000880569794 624978993 /nfs/dbraw/zinc/97/89/93/624978993.db2.gz PBLRHWDNHKRCGO-MSOLQXFVSA-N 2 2 301.434 3.275 20 0 DGADLP Cc1cnccc1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570260 624979908 /nfs/dbraw/zinc/97/99/08/624979908.db2.gz VLQGCPWCTGURHK-IBGZPJMESA-N 2 2 306.413 3.160 20 0 DGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCc3ncncc3C2)c1 ZINC000880598780 624985410 /nfs/dbraw/zinc/98/54/10/624985410.db2.gz XDHDCJUVONICHX-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCc3ncncc3C2)c1 ZINC000880598780 624985413 /nfs/dbraw/zinc/98/54/13/624985413.db2.gz XDHDCJUVONICHX-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000788500204 625199988 /nfs/dbraw/zinc/19/99/88/625199988.db2.gz ZDWAIMLCUKSVIN-CRAIPNDOSA-N 2 2 311.429 3.275 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000788613190 625229745 /nfs/dbraw/zinc/22/97/45/625229745.db2.gz OKLITSJMOXEQKD-HNNXBMFYSA-N 2 2 319.493 3.125 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000796780376 626081856 /nfs/dbraw/zinc/08/18/56/626081856.db2.gz IOTRTROALVFXPZ-WMZOPIPTSA-N 2 2 321.428 3.094 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000798495142 626221276 /nfs/dbraw/zinc/22/12/76/626221276.db2.gz ZFUVWURPILIBKN-UHFFFAOYSA-N 2 2 309.417 3.248 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cn1 ZINC000798925580 626259750 /nfs/dbraw/zinc/25/97/50/626259750.db2.gz BMZSHXZMFQIUAX-KRWDZBQOSA-N 2 2 319.412 3.138 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)c[nH+]1 ZINC000798927674 626260438 /nfs/dbraw/zinc/26/04/38/626260438.db2.gz UUVFIZHLIRXDEU-GOSISDBHSA-N 2 2 304.397 3.435 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000798928441 626260480 /nfs/dbraw/zinc/26/04/80/626260480.db2.gz AOQJFJOYDUDSMJ-KSZLIROESA-N 2 2 301.478 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000798928441 626260481 /nfs/dbraw/zinc/26/04/81/626260481.db2.gz AOQJFJOYDUDSMJ-KSZLIROESA-N 2 2 301.478 3.490 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883342266 626654839 /nfs/dbraw/zinc/65/48/39/626654839.db2.gz QXVBFZRKJLTRKR-CRAIPNDOSA-N 2 2 305.466 3.247 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883342266 626654840 /nfs/dbraw/zinc/65/48/40/626654840.db2.gz QXVBFZRKJLTRKR-CRAIPNDOSA-N 2 2 305.466 3.247 20 0 DGADLP C[C@H](CSCCF)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387881 626669574 /nfs/dbraw/zinc/66/95/74/626669574.db2.gz HGRRIBWWDVXPDM-GDBMZVCRSA-N 2 2 307.438 3.305 20 0 DGADLP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000884200557 626848183 /nfs/dbraw/zinc/84/81/83/626848183.db2.gz FMIKJBXLOXHDEU-INIZCTEOSA-N 2 2 314.433 3.266 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1O ZINC000810211476 626988143 /nfs/dbraw/zinc/98/81/43/626988143.db2.gz RXRBJKWEXPWUMG-CXAGYDPISA-N 2 2 317.433 3.363 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1OC ZINC000885919204 627059961 /nfs/dbraw/zinc/05/99/61/627059961.db2.gz KTAVPBMJPIMNSH-UHFFFAOYSA-N 2 2 324.440 3.053 20 0 DGADLP CC1(C)CO[C@@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000886305959 627134098 /nfs/dbraw/zinc/13/40/98/627134098.db2.gz VHTXPJPDSHDCPL-AWEZNQCLSA-N 2 2 322.415 3.198 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000886635067 627177110 /nfs/dbraw/zinc/17/71/10/627177110.db2.gz UPYXAKOFPVSPBF-NUVZVAJJSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000886635067 627177111 /nfs/dbraw/zinc/17/71/11/627177111.db2.gz UPYXAKOFPVSPBF-NUVZVAJJSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000886643130 627178875 /nfs/dbraw/zinc/17/88/75/627178875.db2.gz LRWKYINDYQTOST-SKINQDTJSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000886643130 627178876 /nfs/dbraw/zinc/17/88/76/627178876.db2.gz LRWKYINDYQTOST-SKINQDTJSA-N 3 2 319.537 3.390 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3coc(C4CC4)n3)CC2)[nH+]c1C ZINC000886659930 627182314 /nfs/dbraw/zinc/18/23/14/627182314.db2.gz YTFZVXZSIXGQGH-UHFFFAOYSA-N 2 2 300.406 3.272 20 0 DGADLP Cc1[nH]c(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)[nH+]c1C ZINC000886667559 627184699 /nfs/dbraw/zinc/18/46/99/627184699.db2.gz CQPBSEYDQRFDPG-KRWDZBQOSA-N 3 2 304.482 3.080 20 0 DGADLP Cc1[nH]c(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)[nH+]c1C ZINC000886667559 627184701 /nfs/dbraw/zinc/18/47/01/627184701.db2.gz CQPBSEYDQRFDPG-KRWDZBQOSA-N 3 2 304.482 3.080 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000886707670 627195559 /nfs/dbraw/zinc/19/55/59/627195559.db2.gz OATCXIFSASNIOJ-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476067 627279188 /nfs/dbraw/zinc/27/91/88/627279188.db2.gz XQDHQNGZHBCDGQ-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476067 627279193 /nfs/dbraw/zinc/27/91/93/627279193.db2.gz XQDHQNGZHBCDGQ-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000812753320 627416863 /nfs/dbraw/zinc/41/68/63/627416863.db2.gz FSBDPKSNJCDHKD-WOJBJXKFSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000812753320 627416861 /nfs/dbraw/zinc/41/68/61/627416861.db2.gz FSBDPKSNJCDHKD-WOJBJXKFSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@H](NCC[N@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000813324583 627477577 /nfs/dbraw/zinc/47/75/77/627477577.db2.gz PAGVBGJAEMXEPV-HNNXBMFYSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@H](NCC[N@@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000813324583 627477581 /nfs/dbraw/zinc/47/75/81/627477581.db2.gz PAGVBGJAEMXEPV-HNNXBMFYSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H]1C ZINC000813857608 627516284 /nfs/dbraw/zinc/51/62/84/627516284.db2.gz KEJHVWVHIBZHMD-VCBZYWHSSA-N 2 2 301.478 3.356 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000814294004 627557015 /nfs/dbraw/zinc/55/70/15/627557015.db2.gz HGDXLRASNITGBZ-MAUBAPBLSA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000814294004 627557016 /nfs/dbraw/zinc/55/70/16/627557016.db2.gz HGDXLRASNITGBZ-MAUBAPBLSA-N 2 2 302.462 3.310 20 0 DGADLP C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cn2c([nH+]1)CCCC2 ZINC000924584410 627652845 /nfs/dbraw/zinc/65/28/45/627652845.db2.gz JOAVTIXJOVHSSA-CRAIPNDOSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Br)n1 ZINC000924590704 627653329 /nfs/dbraw/zinc/65/33/29/627653329.db2.gz BXBCIBXCPAUJNA-NSHDSACASA-N 2 2 324.266 3.122 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924588757 627653501 /nfs/dbraw/zinc/65/35/01/627653501.db2.gz HXEODDHLQUFCAA-PMACEKPBSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924588757 627653505 /nfs/dbraw/zinc/65/35/05/627653505.db2.gz HXEODDHLQUFCAA-PMACEKPBSA-N 2 2 324.472 3.038 20 0 DGADLP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591820 627654071 /nfs/dbraw/zinc/65/40/71/627654071.db2.gz KZQLBOIQGYWYAL-MRXNPFEDSA-N 2 2 305.853 3.329 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000924627753 627659337 /nfs/dbraw/zinc/65/93/37/627659337.db2.gz DDBFJWBNMSSKCI-UHFFFAOYSA-N 3 2 309.542 3.207 20 0 DGADLP CCC(CC)[C@@H](CN[C@@H](C)c1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000924631170 627660198 /nfs/dbraw/zinc/66/01/98/627660198.db2.gz FOGLXXUWDJRINU-WMLDXEAASA-N 2 2 306.498 3.236 20 0 DGADLP c1c(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)[nH+]c2n1CCCC2 ZINC000924646383 627661871 /nfs/dbraw/zinc/66/18/71/627661871.db2.gz TVQTTXBKYYQXJY-LPHOPBHVSA-N 2 2 324.472 3.158 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(OC)n1 ZINC000924713050 627671656 /nfs/dbraw/zinc/67/16/56/627671656.db2.gz LQXUDNAMDWROHH-INIZCTEOSA-N 2 2 303.450 3.005 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(O)cc(F)c1 ZINC000924926072 627694337 /nfs/dbraw/zinc/69/43/37/627694337.db2.gz JKEJRDMJTOHISI-ZDUSSCGKSA-N 2 2 303.381 3.469 20 0 DGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)[N@H+](C)C1CC1 ZINC000924968507 627698595 /nfs/dbraw/zinc/69/85/95/627698595.db2.gz ZMSLWCQNHCNPMC-YLJYHZDGSA-N 2 2 323.484 3.308 20 0 DGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)[N@@H+](C)C1CC1 ZINC000924968507 627698598 /nfs/dbraw/zinc/69/85/98/627698598.db2.gz ZMSLWCQNHCNPMC-YLJYHZDGSA-N 2 2 323.484 3.308 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010208 627701070 /nfs/dbraw/zinc/70/10/70/627701070.db2.gz FDGATDNHOQPEQT-RDTXWAMCSA-N 2 2 302.462 3.049 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(C)(C)O)cc1 ZINC000925010208 627701073 /nfs/dbraw/zinc/70/10/73/627701073.db2.gz FDGATDNHOQPEQT-RDTXWAMCSA-N 2 2 302.462 3.049 20 0 DGADLP OCCC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925121990 627710999 /nfs/dbraw/zinc/71/09/99/627710999.db2.gz GQDZXXRUVJTSJX-GBESFXJTSA-N 2 2 302.462 3.107 20 0 DGADLP OCCC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925121990 627711002 /nfs/dbraw/zinc/71/10/02/627711002.db2.gz GQDZXXRUVJTSJX-GBESFXJTSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925177678 627715998 /nfs/dbraw/zinc/71/59/98/627715998.db2.gz DGXAWDYGQQSAHC-RHSMWYFYSA-N 2 2 322.412 3.155 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000925230589 627721219 /nfs/dbraw/zinc/72/12/19/627721219.db2.gz YLXRTDMQIKMFRB-NTFDOXNWSA-N 3 2 319.537 3.390 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000925230589 627721220 /nfs/dbraw/zinc/72/12/20/627721220.db2.gz YLXRTDMQIKMFRB-NTFDOXNWSA-N 3 2 319.537 3.390 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C[NH+](C)C)c1 ZINC000925230984 627722091 /nfs/dbraw/zinc/72/20/91/627722091.db2.gz GMBONSPWUWQHBM-INIZCTEOSA-N 3 2 312.461 3.296 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)OCCO2 ZINC000925512143 627744887 /nfs/dbraw/zinc/74/48/87/627744887.db2.gz ZXQRQSNFINDSJH-ZWKOTPCHSA-N 2 2 316.445 3.029 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccccc1 ZINC000925521447 627746191 /nfs/dbraw/zinc/74/61/91/627746191.db2.gz CKDGSHQIEIJJRK-HBUWYVDXSA-N 2 2 302.393 3.271 20 0 DGADLP Cc1nc2ccccc2n1CC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925521788 627746374 /nfs/dbraw/zinc/74/63/74/627746374.db2.gz WNPIBNAUAQIEFE-IFXJQAMLSA-N 2 2 308.429 3.023 20 0 DGADLP C[C@H]([NH3+])[C@@H](NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000925531838 627749040 /nfs/dbraw/zinc/74/90/40/627749040.db2.gz BBXJVCWMILCIKU-OXJNMPFZSA-N 2 2 320.440 3.110 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1C(F)(F)F ZINC000925571435 627756974 /nfs/dbraw/zinc/75/69/74/627756974.db2.gz HTMVLNFZWJNQSV-VMIOKAOGSA-N 2 2 310.363 3.352 20 0 DGADLP [NH3+]CCC[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000925598597 627760751 /nfs/dbraw/zinc/76/07/51/627760751.db2.gz WVVCRFQVZYXKSA-KRWDZBQOSA-N 2 2 321.428 3.042 20 0 DGADLP [NH3+]CCC[C@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000925598597 627760755 /nfs/dbraw/zinc/76/07/55/627760755.db2.gz WVVCRFQVZYXKSA-KRWDZBQOSA-N 2 2 321.428 3.042 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000925606361 627761186 /nfs/dbraw/zinc/76/11/86/627761186.db2.gz NKKUZSHURRWUMN-HNAYVOBHSA-N 2 2 314.429 3.227 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925623261 627764555 /nfs/dbraw/zinc/76/45/55/627764555.db2.gz RZAPAPRGXOUODE-IPELMVKDSA-N 2 2 310.441 3.178 20 0 DGADLP COc1ccccc1[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC(C)C ZINC000925640910 627767766 /nfs/dbraw/zinc/76/77/66/627767766.db2.gz KHDZHAVKVABFPC-MSOLQXFVSA-N 2 2 318.461 3.036 20 0 DGADLP COCCCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925664594 627773555 /nfs/dbraw/zinc/77/35/55/627773555.db2.gz ZLJPPYKGLSZGOY-QZTJIDSGSA-N 2 2 302.462 3.419 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H]3CC[NH2+]C34CCC4)ccc2n1C1CC1 ZINC000925668322 627774183 /nfs/dbraw/zinc/77/41/83/627774183.db2.gz YNGXSRKSBGHSCA-SFHVURJKSA-N 2 2 324.472 3.308 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925676171 627775551 /nfs/dbraw/zinc/77/55/51/627775551.db2.gz YISCALBFMROPIH-ZSZQSSIHSA-N 2 2 313.420 3.083 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925702080 627779175 /nfs/dbraw/zinc/77/91/75/627779175.db2.gz KHQGLUUMKNFQNY-ZAAXVRCTSA-N 2 2 309.457 3.482 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925750273 627786865 /nfs/dbraw/zinc/78/68/65/627786865.db2.gz HCBWHWAZOZDNBM-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925750273 627786868 /nfs/dbraw/zinc/78/68/68/627786868.db2.gz HCBWHWAZOZDNBM-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760285 627790540 /nfs/dbraw/zinc/79/05/40/627790540.db2.gz WVOQTJVENBTIDE-QWHCGFSZSA-N 2 2 309.207 3.165 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CCCC2 ZINC000925770883 627791894 /nfs/dbraw/zinc/79/18/94/627791894.db2.gz XHKSENMUAWYGDA-XKQJLSEDSA-N 2 2 318.461 3.201 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925773351 627792844 /nfs/dbraw/zinc/79/28/44/627792844.db2.gz XWIOBOTYNJUHGC-FGTMMUONSA-N 3 2 312.461 3.120 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c2cccnc2)ccc1F ZINC000925784044 627794785 /nfs/dbraw/zinc/79/47/85/627794785.db2.gz HQDZKSCNFCNEMB-LJHODMEESA-N 2 2 313.420 3.064 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1OCC ZINC000925786015 627795408 /nfs/dbraw/zinc/79/54/08/627795408.db2.gz MZXZLXSKPSBZPO-FVQBIDKESA-N 2 2 306.450 3.133 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)c1ccccc1 ZINC000925805065 627798087 /nfs/dbraw/zinc/79/80/87/627798087.db2.gz QATMLPUHINOJAS-OXJNMPFZSA-N 2 2 320.440 3.093 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2ccccn2)cc1 ZINC000925815556 627800111 /nfs/dbraw/zinc/80/01/11/627800111.db2.gz XZQVYOFPXLKJPQ-YLJYHZDGSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1 ZINC000925835341 627802711 /nfs/dbraw/zinc/80/27/11/627802711.db2.gz RYZKEYICOCXAKE-MYPMTAMASA-N 2 2 316.367 3.165 20 0 DGADLP CC[N@H+](Cc1cnn(C)c1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000816610621 627814270 /nfs/dbraw/zinc/81/42/70/627814270.db2.gz RMXORXQSNOTPHJ-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP CC[N@@H+](Cc1cnn(C)c1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000816610621 627814272 /nfs/dbraw/zinc/81/42/72/627814272.db2.gz RMXORXQSNOTPHJ-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000926229657 627866634 /nfs/dbraw/zinc/86/66/34/627866634.db2.gz PBFGUYORSPUAAV-XLIONFOSSA-N 2 2 318.424 3.281 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000926450490 627898407 /nfs/dbraw/zinc/89/84/07/627898407.db2.gz NLDYLLAGNPAZJD-OXQOHEQNSA-N 2 2 318.424 3.350 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926494564 627903777 /nfs/dbraw/zinc/90/37/77/627903777.db2.gz JBTSQCPRRQOVIC-XIRDDKMYSA-N 2 2 302.487 3.482 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926494564 627903779 /nfs/dbraw/zinc/90/37/79/627903779.db2.gz JBTSQCPRRQOVIC-XIRDDKMYSA-N 2 2 302.487 3.482 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000817576738 627923436 /nfs/dbraw/zinc/92/34/36/627923436.db2.gz VWUYRGHPSDESAY-AEFFLSMTSA-N 2 2 312.461 3.230 20 0 DGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746747 627945751 /nfs/dbraw/zinc/94/57/51/627945751.db2.gz UAIHDUYMOKGHST-QXAKKESOSA-N 2 2 308.510 3.314 20 0 DGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746747 627945752 /nfs/dbraw/zinc/94/57/52/627945752.db2.gz UAIHDUYMOKGHST-QXAKKESOSA-N 2 2 308.510 3.314 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000817894899 627954443 /nfs/dbraw/zinc/95/44/43/627954443.db2.gz SIRNPTTWCQUUFK-BMGDILEWSA-N 2 2 304.478 3.138 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000817893265 627954597 /nfs/dbraw/zinc/95/45/97/627954597.db2.gz FUDBSBWLYNDKKK-KMUNFCNLSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817905772 627957814 /nfs/dbraw/zinc/95/78/14/627957814.db2.gz SXLDOHLLLAHFSH-COLVAYQJSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817905777 627958335 /nfs/dbraw/zinc/95/83/35/627958335.db2.gz SXLDOHLLLAHFSH-LKTVYLICSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817924810 627963061 /nfs/dbraw/zinc/96/30/61/627963061.db2.gz KAJKLDRQTQZXRX-RYGJVYDSSA-N 2 2 310.441 3.117 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000817924809 627963244 /nfs/dbraw/zinc/96/32/44/627963244.db2.gz KAJKLDRQTQZXRX-CWFSZBLJSA-N 2 2 310.441 3.117 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817933961 627965607 /nfs/dbraw/zinc/96/56/07/627965607.db2.gz YHCPWRKXHIKODY-RBSFLKMASA-N 2 2 311.832 3.275 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926861818 627965756 /nfs/dbraw/zinc/96/57/56/627965756.db2.gz CBOFTGSFENOGTJ-APWZRJJASA-N 2 2 306.413 3.240 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817933111 627966043 /nfs/dbraw/zinc/96/60/43/627966043.db2.gz YLQQQSVYGJUNLR-BBRMVZONSA-N 2 2 303.837 3.092 20 0 DGADLP COCc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1OC ZINC000817954349 627973275 /nfs/dbraw/zinc/97/32/75/627973275.db2.gz CBOMZNVUBSYCQQ-KDOFPFPSSA-N 2 2 314.429 3.192 20 0 DGADLP COCc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1OC ZINC000817954352 627973594 /nfs/dbraw/zinc/97/35/94/627973594.db2.gz CBOMZNVUBSYCQQ-RDTXWAMCSA-N 2 2 314.429 3.192 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817983844 627983415 /nfs/dbraw/zinc/98/34/15/627983415.db2.gz JTARVMKQDHOLLR-MWLCHTKSSA-N 2 2 302.249 3.368 20 0 DGADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000818174170 628001306 /nfs/dbraw/zinc/00/13/06/628001306.db2.gz JQFSHNDHODASOD-UHFFFAOYSA-N 2 2 324.440 3.080 20 0 DGADLP CC(C)n1c[nH+]cc1CNc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000818215902 628005989 /nfs/dbraw/zinc/00/59/89/628005989.db2.gz QHLUIHYVFLHKBM-UHFFFAOYSA-N 2 2 320.412 3.156 20 0 DGADLP Cc1ccc(NCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000927072880 628007943 /nfs/dbraw/zinc/00/79/43/628007943.db2.gz QQZGQYVVIFVPRB-INIZCTEOSA-N 2 2 321.428 3.338 20 0 DGADLP Cc1ccccc1C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927103988 628015668 /nfs/dbraw/zinc/01/56/68/628015668.db2.gz IETHHACORHAUTC-FAFZWHIHSA-N 2 2 314.473 3.084 20 0 DGADLP Cc1ccccc1C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927103988 628015672 /nfs/dbraw/zinc/01/56/72/628015672.db2.gz IETHHACORHAUTC-FAFZWHIHSA-N 2 2 314.473 3.084 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000818341001 628015848 /nfs/dbraw/zinc/01/58/48/628015848.db2.gz URGBJLPQVALQML-FSPWUOQZSA-N 2 2 311.429 3.026 20 0 DGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000927108360 628016060 /nfs/dbraw/zinc/01/60/60/628016060.db2.gz IRLBARCYLARLER-XLIONFOSSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000927108360 628016062 /nfs/dbraw/zinc/01/60/62/628016062.db2.gz IRLBARCYLARLER-XLIONFOSSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)C2CC2)CCCC1)c1ccccc1 ZINC000819066082 628086016 /nfs/dbraw/zinc/08/60/16/628086016.db2.gz TWOUTGQBWKZGTL-MAUKXSAKSA-N 2 2 302.462 3.011 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823659431 628584295 /nfs/dbraw/zinc/58/42/95/628584295.db2.gz BBWNOVVWSHHCEB-CHWSQXEVSA-N 2 2 313.848 3.332 20 0 DGADLP Cc1cc(F)cc2c1C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000825779652 628796808 /nfs/dbraw/zinc/79/68/08/628796808.db2.gz ODOZFORCQUEEHT-UHFFFAOYSA-N 2 2 322.387 3.273 20 0 DGADLP Cc1cc(F)cc2c1C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000825779652 628796810 /nfs/dbraw/zinc/79/68/10/628796810.db2.gz ODOZFORCQUEEHT-UHFFFAOYSA-N 2 2 322.387 3.273 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000841031545 630398064 /nfs/dbraw/zinc/39/80/64/630398064.db2.gz VTMDYTNCPAVTQD-UHFFFAOYSA-N 2 2 323.872 3.273 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000845938594 631202854 /nfs/dbraw/zinc/20/28/54/631202854.db2.gz WJNPWYGDXOYFOV-QGZVFWFLSA-N 2 2 322.880 3.381 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CCc2ccccc21 ZINC000846068322 631209045 /nfs/dbraw/zinc/20/90/45/631209045.db2.gz QTKVQYILKZEJEX-CQSZACIVSA-N 2 2 315.486 3.367 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CCc2ccccc21 ZINC000846068322 631209046 /nfs/dbraw/zinc/20/90/46/631209046.db2.gz QTKVQYILKZEJEX-CQSZACIVSA-N 2 2 315.486 3.367 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000846104651 631209667 /nfs/dbraw/zinc/20/96/67/631209667.db2.gz JTVCEPWJJMNLKA-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000846104651 631209668 /nfs/dbraw/zinc/20/96/68/631209668.db2.gz JTVCEPWJJMNLKA-IEBWSBKVSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000846804453 631310185 /nfs/dbraw/zinc/31/01/85/631310185.db2.gz KSPDKNKGVHGQEN-GPMSIDNRSA-N 2 2 313.445 3.203 20 0 DGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000846804453 631310190 /nfs/dbraw/zinc/31/01/90/631310190.db2.gz KSPDKNKGVHGQEN-GPMSIDNRSA-N 2 2 313.445 3.203 20 0 DGADLP Cn1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cnc1Cl ZINC000848881957 631768929 /nfs/dbraw/zinc/76/89/29/631768929.db2.gz UZJGAEWHFKQVRM-UHFFFAOYSA-N 2 2 324.900 3.162 20 0 DGADLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849013788 631807163 /nfs/dbraw/zinc/80/71/63/631807163.db2.gz HNEWHDSFUCJXKR-CJNGLKHVSA-N 2 2 322.884 3.389 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000850533090 632183106 /nfs/dbraw/zinc/18/31/06/632183106.db2.gz ZCQAPBLFGDFIMJ-RYRKJORJSA-N 2 2 313.445 3.109 20 0 DGADLP C[N@@H+](Cc1cccc(F)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793645 632496200 /nfs/dbraw/zinc/49/62/00/632496200.db2.gz ZOWDWZAVWRIGAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1cccc(F)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793645 632496204 /nfs/dbraw/zinc/49/62/04/632496204.db2.gz ZOWDWZAVWRIGAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cccc(F)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851793645 632496207 /nfs/dbraw/zinc/49/62/07/632496207.db2.gz ZOWDWZAVWRIGAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cccc(F)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000851793645 632496211 /nfs/dbraw/zinc/49/62/11/632496211.db2.gz ZOWDWZAVWRIGAB-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP FC(F)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812647 632501386 /nfs/dbraw/zinc/50/13/86/632501386.db2.gz IRYVEKILNIZYDL-IAGOWNOFSA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812647 632501390 /nfs/dbraw/zinc/50/13/90/632501390.db2.gz IRYVEKILNIZYDL-IAGOWNOFSA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000851812647 632501393 /nfs/dbraw/zinc/50/13/93/632501393.db2.gz IRYVEKILNIZYDL-IAGOWNOFSA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000851812647 632501399 /nfs/dbraw/zinc/50/13/99/632501399.db2.gz IRYVEKILNIZYDL-IAGOWNOFSA-N 2 2 324.415 3.212 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CC(C)C)[C@H](C)C2)c(C)[nH+]1 ZINC001036114161 660875978 /nfs/dbraw/zinc/87/59/78/660875978.db2.gz BIRNAVRVSMHJKT-PBHICJAKSA-N 2 2 317.477 3.103 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000795172128 661131196 /nfs/dbraw/zinc/13/11/96/661131196.db2.gz IAPGYNPIJBWVFS-ZDUSSCGKSA-N 2 2 308.385 3.058 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933376637 655709755 /nfs/dbraw/zinc/70/97/55/655709755.db2.gz UAHYOOPEGGPMAA-SFHVURJKSA-N 2 2 311.429 3.372 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262312618 655813520 /nfs/dbraw/zinc/81/35/20/655813520.db2.gz PYSBJGMCBQIDDI-TYNCELHUSA-N 2 2 316.367 3.123 20 0 DGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000328496973 656060481 /nfs/dbraw/zinc/06/04/81/656060481.db2.gz QWRJGZONOHBHSM-DGARUKMUSA-N 2 2 300.446 3.121 20 0 DGADLP COc1cc(F)cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000312285687 656124003 /nfs/dbraw/zinc/12/40/03/656124003.db2.gz QKWKIUOKJLXVBD-INIZCTEOSA-N 2 2 305.397 3.235 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000313558408 656291453 /nfs/dbraw/zinc/29/14/53/656291453.db2.gz MRVYSVCTXGQBKE-LJQANCHMSA-N 2 2 312.457 3.220 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000313558408 656291456 /nfs/dbraw/zinc/29/14/56/656291456.db2.gz MRVYSVCTXGQBKE-LJQANCHMSA-N 2 2 312.457 3.220 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620885 656415866 /nfs/dbraw/zinc/41/58/66/656415866.db2.gz IUHNKWQEIHYIEO-CVEARBPZSA-N 2 2 322.493 3.057 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620885 656415870 /nfs/dbraw/zinc/41/58/70/656415870.db2.gz IUHNKWQEIHYIEO-CVEARBPZSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620885 656415873 /nfs/dbraw/zinc/41/58/73/656415873.db2.gz IUHNKWQEIHYIEO-CVEARBPZSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620885 656415876 /nfs/dbraw/zinc/41/58/76/656415876.db2.gz IUHNKWQEIHYIEO-CVEARBPZSA-N 2 2 322.493 3.057 20 0 DGADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])cc(C)c1OCC(F)(F)F ZINC000261930527 657206362 /nfs/dbraw/zinc/20/63/62/657206362.db2.gz LMADRNHZWNHUIF-UHFFFAOYSA-N 2 2 318.383 3.414 20 0 DGADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])cc(C)c1OCC(F)(F)F ZINC000261930527 657206370 /nfs/dbraw/zinc/20/63/70/657206370.db2.gz LMADRNHZWNHUIF-UHFFFAOYSA-N 2 2 318.383 3.414 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377043 657443490 /nfs/dbraw/zinc/44/34/90/657443490.db2.gz DSHMQOSLRUMIMM-WBVHZDCISA-N 2 2 318.509 3.326 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377043 657443494 /nfs/dbraw/zinc/44/34/94/657443494.db2.gz DSHMQOSLRUMIMM-WBVHZDCISA-N 2 2 318.509 3.326 20 0 DGADLP COc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1OC(C)C ZINC000067500838 657588117 /nfs/dbraw/zinc/58/81/17/657588117.db2.gz ODQFCSUJOSTYAQ-OAHLLOKOSA-N 2 2 317.433 3.105 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000221146910 657889535 /nfs/dbraw/zinc/88/95/35/657889535.db2.gz ZSBAXRHVRRNTSM-GFCCVEGCSA-N 2 2 304.381 3.482 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000221146910 657889549 /nfs/dbraw/zinc/88/95/49/657889549.db2.gz ZSBAXRHVRRNTSM-GFCCVEGCSA-N 2 2 304.381 3.482 20 0 DGADLP C[NH+](C)CC1([NH2+]CCc2cccc(OC(F)(F)F)c2)CCC1 ZINC000500248467 658142332 /nfs/dbraw/zinc/14/23/32/658142332.db2.gz GKXLFLTWYWJFNW-UHFFFAOYSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037893546 658502209 /nfs/dbraw/zinc/50/22/09/658502209.db2.gz QRJMHJYEHKPVFC-IAGOWNOFSA-N 2 2 317.477 3.247 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(Br)c3)C[C@@H]21 ZINC000230045194 659296792 /nfs/dbraw/zinc/29/67/92/659296792.db2.gz LJIUEFYJWWYHKT-SDDRHHMPSA-N 2 2 315.280 3.070 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(Br)c3)C[C@@H]21 ZINC000230045194 659296794 /nfs/dbraw/zinc/29/67/94/659296794.db2.gz LJIUEFYJWWYHKT-SDDRHHMPSA-N 2 2 315.280 3.070 20 0 DGADLP C[N@H+](Cc1csc(Br)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862689 659350463 /nfs/dbraw/zinc/35/04/63/659350463.db2.gz FSPCKAOKYOBTIN-ZDUSSCGKSA-N 2 2 317.296 3.332 20 0 DGADLP C[N@@H+](Cc1csc(Br)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862689 659350470 /nfs/dbraw/zinc/35/04/70/659350470.db2.gz FSPCKAOKYOBTIN-ZDUSSCGKSA-N 2 2 317.296 3.332 20 0 DGADLP CC1=C(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C(C)C ZINC000929806070 659613715 /nfs/dbraw/zinc/61/37/15/659613715.db2.gz GNNHUTJQPCOWQW-UHFFFAOYSA-N 2 2 310.401 3.199 20 0 DGADLP CC1=C(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C(C)C ZINC000929806070 659613716 /nfs/dbraw/zinc/61/37/16/659613716.db2.gz GNNHUTJQPCOWQW-UHFFFAOYSA-N 2 2 310.401 3.199 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000089516419 659696217 /nfs/dbraw/zinc/69/62/17/659696217.db2.gz IUCCZAZVHIDOMI-RDJZCZTQSA-N 2 2 321.534 3.413 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000089516419 659696218 /nfs/dbraw/zinc/69/62/18/659696218.db2.gz IUCCZAZVHIDOMI-RDJZCZTQSA-N 2 2 321.534 3.413 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000181459915 660001260 /nfs/dbraw/zinc/00/12/60/660001260.db2.gz PFBXNBTXUUIXCX-UHFFFAOYSA-N 2 2 312.889 3.328 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929690333 661328858 /nfs/dbraw/zinc/32/88/58/661328858.db2.gz PFAQESSELBUCOZ-KKUMJFAQSA-N 2 2 320.399 3.047 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929690333 661328860 /nfs/dbraw/zinc/32/88/60/661328860.db2.gz PFAQESSELBUCOZ-KKUMJFAQSA-N 2 2 320.399 3.047 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C)[nH+]1 ZINC000929806595 661340207 /nfs/dbraw/zinc/34/02/07/661340207.db2.gz LDWPVMBLCUGXHP-SFHVURJKSA-N 2 2 313.445 3.250 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C)[nH+]1 ZINC000929806595 661340208 /nfs/dbraw/zinc/34/02/08/661340208.db2.gz LDWPVMBLCUGXHP-SFHVURJKSA-N 2 2 313.445 3.250 20 0 DGADLP CSc1ccc(OCC[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931351516 661469973 /nfs/dbraw/zinc/46/99/73/661469973.db2.gz PMUHKURGPZQTLK-UHFFFAOYSA-N 2 2 308.491 3.203 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000931706228 661500522 /nfs/dbraw/zinc/50/05/22/661500522.db2.gz BBVQAUYQYCBPSR-PMACEKPBSA-N 2 2 321.424 3.256 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000934337118 661699290 /nfs/dbraw/zinc/69/92/90/661699290.db2.gz FTLAUTGIXRMZNA-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000934337118 661699292 /nfs/dbraw/zinc/69/92/92/661699292.db2.gz FTLAUTGIXRMZNA-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000934337118 661699295 /nfs/dbraw/zinc/69/92/95/661699295.db2.gz FTLAUTGIXRMZNA-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000934337118 661699297 /nfs/dbraw/zinc/69/92/97/661699297.db2.gz FTLAUTGIXRMZNA-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190953262 662050171 /nfs/dbraw/zinc/05/01/71/662050171.db2.gz UNWLIAIDDQOCCE-JTQLQIEISA-N 2 2 311.788 3.116 20 0 DGADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246537215 662264047 /nfs/dbraw/zinc/26/40/47/662264047.db2.gz JNOLCGNQZVTZLE-VQIMIIECSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246537215 662264051 /nfs/dbraw/zinc/26/40/51/662264051.db2.gz JNOLCGNQZVTZLE-VQIMIIECSA-N 2 2 321.428 3.287 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000091666551 662312676 /nfs/dbraw/zinc/31/26/76/662312676.db2.gz APDKTKBJBZOTRP-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000091666551 662312678 /nfs/dbraw/zinc/31/26/78/662312678.db2.gz APDKTKBJBZOTRP-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP COc1ccc([C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@H]2[NH3+])cc1 ZINC001579239780 1191969706 /nfs/dbraw/zinc/96/97/06/1191969706.db2.gz DUQRJSJPGWWPJI-HYVNUMGLSA-N 2 2 324.415 3.247 20 0 DGADLP COc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)C[C@H]2[NH3+])cc1 ZINC001579239780 1191969707 /nfs/dbraw/zinc/96/97/07/1191969707.db2.gz DUQRJSJPGWWPJI-HYVNUMGLSA-N 2 2 324.415 3.247 20 0 DGADLP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC001579580257 1191980434 /nfs/dbraw/zinc/98/04/34/1191980434.db2.gz TZRDYPWMMOFFFQ-NJDAHSKKSA-N 2 2 324.468 3.072 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001620559687 1191988323 /nfs/dbraw/zinc/98/83/23/1191988323.db2.gz ZJHAIFQBHBGRKD-INIZCTEOSA-N 2 2 306.498 3.444 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001620559687 1191988325 /nfs/dbraw/zinc/98/83/25/1191988325.db2.gz ZJHAIFQBHBGRKD-INIZCTEOSA-N 2 2 306.498 3.444 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001620559687 1191988327 /nfs/dbraw/zinc/98/83/27/1191988327.db2.gz ZJHAIFQBHBGRKD-INIZCTEOSA-N 2 2 306.498 3.444 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001620559687 1191988328 /nfs/dbraw/zinc/98/83/28/1191988328.db2.gz ZJHAIFQBHBGRKD-INIZCTEOSA-N 2 2 306.498 3.444 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC001579944855 1192000798 /nfs/dbraw/zinc/00/07/98/1192000798.db2.gz VWOKHGHOTSHDSM-MJGOQNOKSA-N 2 2 312.461 3.100 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC001579944855 1192000800 /nfs/dbraw/zinc/00/08/00/1192000800.db2.gz VWOKHGHOTSHDSM-MJGOQNOKSA-N 2 2 312.461 3.100 20 0 DGADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254686 1192016412 /nfs/dbraw/zinc/01/64/12/1192016412.db2.gz YZKVIAHOKBRXBE-MEBBXXQBSA-N 2 2 307.850 3.263 20 0 DGADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254686 1192016415 /nfs/dbraw/zinc/01/64/15/1192016415.db2.gz YZKVIAHOKBRXBE-MEBBXXQBSA-N 2 2 307.850 3.263 20 0 DGADLP [NH3+]Cc1cccc(CNc2ccccc2OCCn2cc[nH+]c2)c1 ZINC001580343092 1192022977 /nfs/dbraw/zinc/02/29/77/1192022977.db2.gz WYGRHENHSMKNKV-UHFFFAOYSA-N 2 2 322.412 3.033 20 0 DGADLP c1ccc(OCc2cccc(C[NH2+]CC[NH+]3CCCC3)c2)cc1 ZINC001620697721 1192069618 /nfs/dbraw/zinc/06/96/18/1192069618.db2.gz QZNBTBWTNDCSMY-UHFFFAOYSA-N 2 2 310.441 3.451 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001664269621 1196985430 /nfs/dbraw/zinc/98/54/30/1196985430.db2.gz GDNHPTCASQOTTA-SFHVURJKSA-N 3 2 309.542 3.351 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C)CC[NH+](C)C)c2)[nH+]c1C ZINC001597514739 1192736651 /nfs/dbraw/zinc/73/66/51/1192736651.db2.gz ZIVFIBWTMOKMBE-LBPRGKRZSA-N 2 2 314.433 3.220 20 0 DGADLP CC[C@@H](C)C[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001691217743 1176398654 /nfs/dbraw/zinc/39/86/54/1176398654.db2.gz VMBASXPCXCGUOI-CYBMUJFWSA-N 2 2 317.477 3.247 20 0 DGADLP CC[C@@H](C)C[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001691217743 1176398664 /nfs/dbraw/zinc/39/86/64/1176398664.db2.gz VMBASXPCXCGUOI-CYBMUJFWSA-N 2 2 317.477 3.247 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC001620994536 1192778364 /nfs/dbraw/zinc/77/83/64/1192778364.db2.gz MFAPLOHFYYYKTR-UHFFFAOYSA-N 2 2 318.383 3.495 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC001620994536 1192778365 /nfs/dbraw/zinc/77/83/65/1192778365.db2.gz MFAPLOHFYYYKTR-UHFFFAOYSA-N 2 2 318.383 3.495 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC001276145100 1177943384 /nfs/dbraw/zinc/94/33/84/1177943384.db2.gz UDEATMWJINEZDH-KRWDZBQOSA-N 2 2 318.509 3.144 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC001276145100 1177943394 /nfs/dbraw/zinc/94/33/94/1177943394.db2.gz UDEATMWJINEZDH-KRWDZBQOSA-N 2 2 318.509 3.144 20 0 DGADLP CC[C@H](C[C@](C)(O)CC)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001334391658 1178758828 /nfs/dbraw/zinc/75/88/28/1178758828.db2.gz XALFYGBHLZBLCY-VQIMIIECSA-N 2 2 319.493 3.180 20 0 DGADLP COc1ccccc1C[C@@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)C(C)C ZINC001334772809 1178794769 /nfs/dbraw/zinc/79/47/69/1178794769.db2.gz SAXHFDHFSOFFDK-MRXNPFEDSA-N 2 2 301.434 3.392 20 0 DGADLP [NH3+][C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C1CCCCCC1 ZINC001341555342 1179028029 /nfs/dbraw/zinc/02/80/29/1179028029.db2.gz ZSEXBCCSCJAPND-QGZVFWFLSA-N 2 2 312.417 3.109 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC001341945935 1179084521 /nfs/dbraw/zinc/08/45/21/1179084521.db2.gz QTTNTDQPDMWTLU-PXNSSMCTSA-N 2 2 309.457 3.493 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC001341945935 1179084526 /nfs/dbraw/zinc/08/45/26/1179084526.db2.gz QTTNTDQPDMWTLU-PXNSSMCTSA-N 2 2 309.457 3.493 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001342067420 1179097865 /nfs/dbraw/zinc/09/78/65/1179097865.db2.gz KILDWEOEYYSWND-QKDCVEJESA-N 2 2 310.401 3.341 20 0 DGADLP CCOc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001342953324 1179215502 /nfs/dbraw/zinc/21/55/02/1179215502.db2.gz YRFBLMFNPXTHTQ-UHFFFAOYSA-N 2 2 302.462 3.319 20 0 DGADLP CCOc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001342953324 1179215508 /nfs/dbraw/zinc/21/55/08/1179215508.db2.gz YRFBLMFNPXTHTQ-UHFFFAOYSA-N 2 2 302.462 3.319 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC001345482174 1179565295 /nfs/dbraw/zinc/56/52/95/1179565295.db2.gz LAKICJUHZPNEPI-RNCFNFMXSA-N 2 2 315.230 3.163 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC001350957288 1180150196 /nfs/dbraw/zinc/15/01/96/1180150196.db2.gz QHCDRFQEOFNLCK-KZNAEPCWSA-N 2 2 306.425 3.120 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC001350957288 1180150201 /nfs/dbraw/zinc/15/02/01/1180150201.db2.gz QHCDRFQEOFNLCK-KZNAEPCWSA-N 2 2 306.425 3.120 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1ccccc1 ZINC001351194381 1180184790 /nfs/dbraw/zinc/18/47/90/1180184790.db2.gz CQCGBRPJKZDDFN-FPLPWBNLSA-N 2 2 304.353 3.228 20 0 DGADLP C[C@]1(C[NH+]2CCC(C(=O)c3cccs3)CC2)CCC[NH2+]C1 ZINC001352789694 1180400016 /nfs/dbraw/zinc/40/00/16/1180400016.db2.gz ZCLATFALGCNNQR-KRWDZBQOSA-N 2 2 306.475 3.033 20 0 DGADLP C[C@@H](CC(=O)Nc1c[nH+]ccc1Nc1ccccc1)n1cc[nH+]c1 ZINC001452704300 1182298766 /nfs/dbraw/zinc/29/87/66/1182298766.db2.gz NUUVOFISVGKMSL-AWEZNQCLSA-N 2 2 321.384 3.033 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc(C)[nH+]1 ZINC001458385226 1182519672 /nfs/dbraw/zinc/51/96/72/1182519672.db2.gz HTJDZNYXGIZZER-MRXNPFEDSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc(C)[nH+]1 ZINC001458385226 1182519674 /nfs/dbraw/zinc/51/96/74/1182519674.db2.gz HTJDZNYXGIZZER-MRXNPFEDSA-N 2 2 324.472 3.306 20 0 DGADLP CCCCOC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460571819 1182695802 /nfs/dbraw/zinc/69/58/02/1182695802.db2.gz WCEXPTZOJAJRLV-MRXNPFEDSA-N 2 2 320.477 3.302 20 0 DGADLP CCCCOC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460571819 1182695806 /nfs/dbraw/zinc/69/58/06/1182695806.db2.gz WCEXPTZOJAJRLV-MRXNPFEDSA-N 2 2 320.477 3.302 20 0 DGADLP Cc1ccc2ncc(C[NH+]3C[C@@]4(C)C[NH+](C)C[C@]4(C)C3)cc2c1 ZINC001460557406 1182696860 /nfs/dbraw/zinc/69/68/60/1182696860.db2.gz CTWHKHFVPLWZRU-WOJBJXKFSA-N 2 2 309.457 3.317 20 0 DGADLP CC[C@@H](OCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC001460772948 1182719536 /nfs/dbraw/zinc/71/95/36/1182719536.db2.gz HMAPFXQYRWFEHI-IPMKNSEASA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@@H](OCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC001460772948 1182719541 /nfs/dbraw/zinc/71/95/41/1182719541.db2.gz HMAPFXQYRWFEHI-IPMKNSEASA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@@H](OCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC001460772948 1182719547 /nfs/dbraw/zinc/71/95/47/1182719547.db2.gz HMAPFXQYRWFEHI-IPMKNSEASA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@@H](OCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC001460772948 1182719553 /nfs/dbraw/zinc/71/95/53/1182719553.db2.gz HMAPFXQYRWFEHI-IPMKNSEASA-N 2 2 302.462 3.323 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001460994167 1182753643 /nfs/dbraw/zinc/75/36/43/1182753643.db2.gz FWHOIBIWGIQPPK-LJQANCHMSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001460994167 1182753649 /nfs/dbraw/zinc/75/36/49/1182753649.db2.gz FWHOIBIWGIQPPK-LJQANCHMSA-N 2 2 302.462 3.010 20 0 DGADLP c1cc(C[NH2+]Cc2cc3ccccc3o2)n(-c2cc[nH+]cc2)n1 ZINC001461046907 1182760682 /nfs/dbraw/zinc/76/06/82/1182760682.db2.gz NFAAAAFWARNUPE-UHFFFAOYSA-N 2 2 304.353 3.303 20 0 DGADLP COc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC001461046681 1182761169 /nfs/dbraw/zinc/76/11/69/1182761169.db2.gz ILNAXWBNENDAOT-HUUCEWRRSA-N 2 2 308.441 3.292 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679807 1182841441 /nfs/dbraw/zinc/84/14/41/1182841441.db2.gz IQDIEZXVYXUQES-RDTXWAMCSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679807 1182841448 /nfs/dbraw/zinc/84/14/48/1182841448.db2.gz IQDIEZXVYXUQES-RDTXWAMCSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679805 1182842794 /nfs/dbraw/zinc/84/27/94/1182842794.db2.gz IQDIEZXVYXUQES-KSSFIOAISA-N 2 2 300.446 3.117 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679805 1182842800 /nfs/dbraw/zinc/84/28/00/1182842800.db2.gz IQDIEZXVYXUQES-KSSFIOAISA-N 2 2 300.446 3.117 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC001461830950 1182864560 /nfs/dbraw/zinc/86/45/60/1182864560.db2.gz AIMDUXJHFUBOAC-DZGCQCFKSA-N 2 2 311.495 3.205 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2CSC2)C[N@H+](Cc2ccccc2)C1 ZINC001462663626 1182982163 /nfs/dbraw/zinc/98/21/63/1182982163.db2.gz FNAXXRZSUFNEOL-MAUKXSAKSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2CSC2)C[N@@H+](Cc2ccccc2)C1 ZINC001462663626 1182982166 /nfs/dbraw/zinc/98/21/66/1182982166.db2.gz FNAXXRZSUFNEOL-MAUKXSAKSA-N 2 2 304.503 3.240 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC3CCC4(CC4)CC3)CC2)c1 ZINC001473153182 1183721879 /nfs/dbraw/zinc/72/18/79/1183721879.db2.gz XKJODPXPKSJUKI-UHFFFAOYSA-N 2 2 315.461 3.183 20 0 DGADLP C[C@@H]1CC(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)C[C@@H](C)C1 ZINC001473299549 1183740302 /nfs/dbraw/zinc/74/03/02/1183740302.db2.gz NNRZYIXSCZNXJM-HOTGVXAUSA-N 2 2 304.482 3.005 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001473894735 1183821127 /nfs/dbraw/zinc/82/11/27/1183821127.db2.gz PDIUNKOPSJDICT-SFHVURJKSA-N 2 2 317.477 3.339 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001473909139 1183825678 /nfs/dbraw/zinc/82/56/78/1183825678.db2.gz JYPHCSBUZFWNQP-HXUWFJFHSA-N 2 2 318.505 3.332 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001473909139 1183825679 /nfs/dbraw/zinc/82/56/79/1183825679.db2.gz JYPHCSBUZFWNQP-HXUWFJFHSA-N 2 2 318.505 3.332 20 0 DGADLP Nc1c(F)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001473955916 1183837086 /nfs/dbraw/zinc/83/70/86/1183837086.db2.gz VFLPTKKWNLRUAX-UHFFFAOYSA-N 2 2 314.339 3.023 20 0 DGADLP CCc1ccccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001474076354 1183862696 /nfs/dbraw/zinc/86/26/96/1183862696.db2.gz HOUBJRTUGYWGKX-LJQANCHMSA-N 2 2 324.472 3.396 20 0 DGADLP COc1ccc(OC)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001474108846 1183868481 /nfs/dbraw/zinc/86/84/81/1183868481.db2.gz IABWXVWSJLGCRY-HNNXBMFYSA-N 2 2 306.450 3.058 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317502 1183903651 /nfs/dbraw/zinc/90/36/51/1183903651.db2.gz HQSSSZDARQDVJP-IUODEOHRSA-N 2 2 320.506 3.175 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317502 1183903652 /nfs/dbraw/zinc/90/36/52/1183903652.db2.gz HQSSSZDARQDVJP-IUODEOHRSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317502 1183903653 /nfs/dbraw/zinc/90/36/53/1183903653.db2.gz HQSSSZDARQDVJP-IUODEOHRSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)[C@H](C)C1 ZINC001474317502 1183903654 /nfs/dbraw/zinc/90/36/54/1183903654.db2.gz HQSSSZDARQDVJP-IUODEOHRSA-N 2 2 320.506 3.175 20 0 DGADLP CO[C@@](C)(C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC001474464829 1183925806 /nfs/dbraw/zinc/92/58/06/1183925806.db2.gz GFCHOJZFAIQHHM-PMACEKPBSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@@](C)(C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC001474464829 1183925807 /nfs/dbraw/zinc/92/58/07/1183925807.db2.gz GFCHOJZFAIQHHM-PMACEKPBSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179133 1195851135 /nfs/dbraw/zinc/85/11/35/1195851135.db2.gz SCDUVFKPPPGCOT-NWDGAFQWSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179133 1195851139 /nfs/dbraw/zinc/85/11/39/1195851139.db2.gz SCDUVFKPPPGCOT-NWDGAFQWSA-N 2 2 302.340 3.144 20 0 DGADLP CCC/C=C/CC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001497866681 1185403115 /nfs/dbraw/zinc/40/31/15/1185403115.db2.gz IPDYOYGTIPFRPL-ROJDOSBLSA-N 2 2 317.477 3.461 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CCCC2CCC2)c(C)[nH+]1 ZINC001498074965 1185431866 /nfs/dbraw/zinc/43/18/66/1185431866.db2.gz QLWPEJMTDJPDKP-HNNXBMFYSA-N 2 2 317.477 3.295 20 0 DGADLP CCc1c[nH]c2nc[nH+]c(N(C)CCCC[NH+]3CCCCC3)c12 ZINC001612811017 1193461650 /nfs/dbraw/zinc/46/16/50/1193461650.db2.gz QXNOARJLADRXPL-UHFFFAOYSA-N 2 2 315.465 3.223 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1)[NH+](CC)CC ZINC001614883798 1193514162 /nfs/dbraw/zinc/51/41/62/1193514162.db2.gz IAPXNZYOGSBZLH-MRXNPFEDSA-N 2 2 314.433 3.240 20 0 DGADLP CCC[NH+](CCC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001615170094 1193516288 /nfs/dbraw/zinc/51/62/88/1193516288.db2.gz XJXUHILADWZYAJ-UHFFFAOYSA-N 2 2 303.494 3.321 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001548851847 1188466784 /nfs/dbraw/zinc/46/67/84/1188466784.db2.gz LZBXLVWTKYFTHR-DGCLKSJQSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001548851847 1188466785 /nfs/dbraw/zinc/46/67/85/1188466785.db2.gz LZBXLVWTKYFTHR-DGCLKSJQSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC001548851995 1188467326 /nfs/dbraw/zinc/46/73/26/1188467326.db2.gz ZCLBQGLLJKSWBE-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001548851995 1188467327 /nfs/dbraw/zinc/46/73/27/1188467327.db2.gz ZCLBQGLLJKSWBE-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)cc1 ZINC001548960558 1188484755 /nfs/dbraw/zinc/48/47/55/1188484755.db2.gz PSGVKDROXBQFFT-GDIGMMSISA-N 2 2 312.461 3.031 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)cc1 ZINC001548960558 1188484757 /nfs/dbraw/zinc/48/47/57/1188484757.db2.gz PSGVKDROXBQFFT-GDIGMMSISA-N 2 2 312.461 3.031 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCCC[NH2+]C3)cc2)[nH+]c1C ZINC001550218823 1188594694 /nfs/dbraw/zinc/59/46/94/1188594694.db2.gz PFVQAKBAIZDLEU-OAHLLOKOSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)[nH+]c1C ZINC001550217158 1188595022 /nfs/dbraw/zinc/59/50/22/1188595022.db2.gz BSUPGUOOXKMKJV-GDBMZVCRSA-N 2 2 312.417 3.007 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC001550623799 1188633154 /nfs/dbraw/zinc/63/31/54/1188633154.db2.gz RWIORZFXPJTHSI-MRXNPFEDSA-N 2 2 310.445 3.074 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC001550623799 1188633156 /nfs/dbraw/zinc/63/31/56/1188633156.db2.gz RWIORZFXPJTHSI-MRXNPFEDSA-N 2 2 310.445 3.074 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001656955073 1196086175 /nfs/dbraw/zinc/08/61/75/1196086175.db2.gz HZDOUKHCJNEZLD-UONOGXRCSA-N 2 2 307.507 3.089 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCCc2cc(Cl)ncc21 ZINC001551377415 1188731859 /nfs/dbraw/zinc/73/18/59/1188731859.db2.gz HUVOBDIWEPXFRF-XYJFISCASA-N 2 2 313.832 3.327 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001551377997 1188732071 /nfs/dbraw/zinc/73/20/71/1188732071.db2.gz LHPJRTUUSKVMNL-TXPKVOOTSA-N 2 2 312.388 3.036 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1F ZINC001551378597 1188732181 /nfs/dbraw/zinc/73/21/81/1188732181.db2.gz REILZABJPXNZJT-PBQZTSCYSA-N 2 2 300.377 3.110 20 0 DGADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560068743 1189275426 /nfs/dbraw/zinc/27/54/26/1189275426.db2.gz HAAPHBYSZKROJG-ZWKOTPCHSA-N 2 2 324.509 3.161 20 0 DGADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560068743 1189275430 /nfs/dbraw/zinc/27/54/30/1189275430.db2.gz HAAPHBYSZKROJG-ZWKOTPCHSA-N 2 2 324.509 3.161 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nn(C)cc1Cl ZINC001560251953 1189299587 /nfs/dbraw/zinc/29/95/87/1189299587.db2.gz MCTLFCLPSIHCDY-UHFFFAOYSA-N 2 2 320.868 3.205 20 0 DGADLP C[C@@H](O)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001560290805 1189306705 /nfs/dbraw/zinc/30/67/05/1189306705.db2.gz PMJROYVCXRNIBJ-CYBMUJFWSA-N 2 2 313.426 3.277 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC001560364196 1189318688 /nfs/dbraw/zinc/31/86/88/1189318688.db2.gz WDXJMQQAAWAWQC-MRXNPFEDSA-N 2 2 312.910 3.484 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCC[C@@H]3CCCCO3)c2)c[nH+]1 ZINC001560433372 1189328714 /nfs/dbraw/zinc/32/87/14/1189328714.db2.gz ILIWZKHBGWLKCY-HNNXBMFYSA-N 2 2 305.447 3.373 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC001560530307 1189336887 /nfs/dbraw/zinc/33/68/87/1189336887.db2.gz HNDWEPVKQJJKEL-IAGOWNOFSA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC001560530307 1189336892 /nfs/dbraw/zinc/33/68/92/1189336892.db2.gz HNDWEPVKQJJKEL-IAGOWNOFSA-N 2 2 316.489 3.405 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC001560538360 1189338366 /nfs/dbraw/zinc/33/83/66/1189338366.db2.gz LGRMRPALGNGPCD-KRWDZBQOSA-N 2 2 311.410 3.417 20 0 DGADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc(C)n1 ZINC001560800757 1189383178 /nfs/dbraw/zinc/38/31/78/1189383178.db2.gz ULOMEPWAXKYWAM-UHFFFAOYSA-N 2 2 311.429 3.445 20 0 DGADLP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945563 1189408638 /nfs/dbraw/zinc/40/86/38/1189408638.db2.gz DENZTPSBXJZNHV-SXLOBPIMSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945563 1189408641 /nfs/dbraw/zinc/40/86/41/1189408641.db2.gz DENZTPSBXJZNHV-SXLOBPIMSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001560945563 1189408644 /nfs/dbraw/zinc/40/86/44/1189408644.db2.gz DENZTPSBXJZNHV-SXLOBPIMSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001560945563 1189408646 /nfs/dbraw/zinc/40/86/46/1189408646.db2.gz DENZTPSBXJZNHV-SXLOBPIMSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944258 1189408685 /nfs/dbraw/zinc/40/86/85/1189408685.db2.gz CQLGKXDMRBSGNH-HOTGVXAUSA-N 2 2 312.498 3.208 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944258 1189408687 /nfs/dbraw/zinc/40/86/87/1189408687.db2.gz CQLGKXDMRBSGNH-HOTGVXAUSA-N 2 2 312.498 3.208 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)nc1 ZINC001575107826 1191466567 /nfs/dbraw/zinc/46/65/67/1191466567.db2.gz KERXKNZDSSZDMD-KRWDZBQOSA-N 2 2 313.445 3.124 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC001575386553 1191478136 /nfs/dbraw/zinc/47/81/36/1191478136.db2.gz ICEQSPGPLRMDIQ-WOJBJXKFSA-N 2 2 324.468 3.149 20 0 DGADLP CC(C)n1c[nH+]cc1CN[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC001575904139 1191515182 /nfs/dbraw/zinc/51/51/82/1191515182.db2.gz JSHUIIGTSPBRFJ-LJQANCHMSA-N 2 2 308.429 3.407 20 0 DGADLP CC[NH+](CC)[C@@H](CNCc1c[nH+]c2ccc(C)cn12)CC(C)C ZINC001620713097 1193793502 /nfs/dbraw/zinc/79/35/02/1193793502.db2.gz SOWQLRBLGUVIGG-QGZVFWFLSA-N 2 2 316.493 3.489 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001620714829 1193794814 /nfs/dbraw/zinc/79/48/14/1193794814.db2.gz SBEPIVFMUHSOFQ-UHFFFAOYSA-N 2 2 323.444 3.074 20 0 DGADLP Fc1cc(C[NH2+]Cc2cc3cnccc3o2)ccc1-n1cc[nH+]c1 ZINC001620744655 1193797705 /nfs/dbraw/zinc/79/77/05/1193797705.db2.gz RJWJMFUZTWSRGO-UHFFFAOYSA-N 2 2 322.343 3.442 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2ccccc2)c2ccccn2)n1C ZINC001621094548 1193800971 /nfs/dbraw/zinc/80/09/71/1193800971.db2.gz FAELUFBUGRVVJY-LJQANCHMSA-N 2 2 306.413 3.197 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCOCC34CCCC4)c2)c[nH+]1 ZINC001621106171 1193803123 /nfs/dbraw/zinc/80/31/23/1193803123.db2.gz PCYMBXADWQTWID-MRXNPFEDSA-N 2 2 317.458 3.373 20 0 DGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001621552723 1193857761 /nfs/dbraw/zinc/85/77/61/1193857761.db2.gz SASJWFVEAPNNHW-WBVHZDCISA-N 2 2 317.477 3.040 20 0 DGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001621552723 1193857765 /nfs/dbraw/zinc/85/77/65/1193857765.db2.gz SASJWFVEAPNNHW-WBVHZDCISA-N 2 2 317.477 3.040 20 0 DGADLP CC[N@H+](Cc1csnc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC001644039727 1195075864 /nfs/dbraw/zinc/07/58/64/1195075864.db2.gz WETLRXXMFADREE-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP CC[N@@H+](Cc1csnc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC001644039727 1195075871 /nfs/dbraw/zinc/07/58/71/1195075871.db2.gz WETLRXXMFADREE-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)nc1 ZINC001644424709 1195107269 /nfs/dbraw/zinc/10/72/69/1195107269.db2.gz MPCPFOQYLCWVCH-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)nc1 ZINC001644424709 1195107271 /nfs/dbraw/zinc/10/72/71/1195107271.db2.gz MPCPFOQYLCWVCH-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)nc1 ZINC001644424709 1195107274 /nfs/dbraw/zinc/10/72/74/1195107274.db2.gz MPCPFOQYLCWVCH-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)nc1 ZINC001644424709 1195107276 /nfs/dbraw/zinc/10/72/76/1195107276.db2.gz MPCPFOQYLCWVCH-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001644424895 1195107943 /nfs/dbraw/zinc/10/79/43/1195107943.db2.gz QVPCYQVFYRSCJX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001644424895 1195107946 /nfs/dbraw/zinc/10/79/46/1195107946.db2.gz QVPCYQVFYRSCJX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001644424895 1195107949 /nfs/dbraw/zinc/10/79/49/1195107949.db2.gz QVPCYQVFYRSCJX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)cn1 ZINC001644424895 1195107952 /nfs/dbraw/zinc/10/79/52/1195107952.db2.gz QVPCYQVFYRSCJX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001648648293 1195318055 /nfs/dbraw/zinc/31/80/55/1195318055.db2.gz ZSSNNPNQFGDYAH-HZPDHXFCSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001648648293 1195318060 /nfs/dbraw/zinc/31/80/60/1195318060.db2.gz ZSSNNPNQFGDYAH-HZPDHXFCSA-N 2 2 305.466 3.244 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCn1cc[nH+]c1 ZINC001648698059 1195323813 /nfs/dbraw/zinc/32/38/13/1195323813.db2.gz BDPFHCGWIHOUBH-HNNXBMFYSA-N 2 2 318.440 3.294 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001648759455 1195328374 /nfs/dbraw/zinc/32/83/74/1195328374.db2.gz JARNYVFRAJESDR-UHFFFAOYSA-N 2 2 320.868 3.198 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001648779997 1195331229 /nfs/dbraw/zinc/33/12/29/1195331229.db2.gz RLJSOEWCVSMEKY-CQSZACIVSA-N 2 2 310.376 3.263 20 0 DGADLP COc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1SC ZINC001650648129 1195369241 /nfs/dbraw/zinc/36/92/41/1195369241.db2.gz YFTZQABVBHTJHP-UHFFFAOYSA-N 2 2 317.458 3.404 20 0 DGADLP CCSCc1cc[nH+]c(NCc2c[nH+]ccc2N(C)C)c1 ZINC001650776242 1195381801 /nfs/dbraw/zinc/38/18/01/1195381801.db2.gz OGTYUVRVSRFLNH-UHFFFAOYSA-N 2 2 302.447 3.408 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2c2noc(C(C)C)n2)CC1 ZINC001651967445 1195529062 /nfs/dbraw/zinc/52/90/62/1195529062.db2.gz DNGHKBYNXATMOP-MRXNPFEDSA-N 2 2 320.481 3.452 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2noc(C(C)C)n2)CC1 ZINC001651967445 1195529065 /nfs/dbraw/zinc/52/90/65/1195529065.db2.gz DNGHKBYNXATMOP-MRXNPFEDSA-N 2 2 320.481 3.452 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000067222591 1195608182 /nfs/dbraw/zinc/60/81/82/1195608182.db2.gz DPWIMRRZBJWSTR-CYBMUJFWSA-N 2 2 312.889 3.018 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000067222591 1195608185 /nfs/dbraw/zinc/60/81/85/1195608185.db2.gz DPWIMRRZBJWSTR-CYBMUJFWSA-N 2 2 312.889 3.018 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncccc1F ZINC001652945817 1195674325 /nfs/dbraw/zinc/67/43/25/1195674325.db2.gz AINKXPHWARFQDK-NVXWUHKLSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncccc1F ZINC001652945817 1195674327 /nfs/dbraw/zinc/67/43/27/1195674327.db2.gz AINKXPHWARFQDK-NVXWUHKLSA-N 2 2 313.420 3.078 20 0 DGADLP CC[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC001654218313 1195785726 /nfs/dbraw/zinc/78/57/26/1195785726.db2.gz KUMAOXBXVZCTNQ-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC001654218313 1195785727 /nfs/dbraw/zinc/78/57/27/1195785727.db2.gz KUMAOXBXVZCTNQ-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC=CC12CCCCC2 ZINC001655134171 1195880851 /nfs/dbraw/zinc/88/08/51/1195880851.db2.gz UCAKCBABSABVRR-IBGZPJMESA-N 2 2 314.473 3.054 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC=CC12CCCCC2 ZINC001655134171 1195880858 /nfs/dbraw/zinc/88/08/58/1195880858.db2.gz UCAKCBABSABVRR-IBGZPJMESA-N 2 2 314.473 3.054 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC=CC12CCCCC2 ZINC001655134171 1195880863 /nfs/dbraw/zinc/88/08/63/1195880863.db2.gz UCAKCBABSABVRR-IBGZPJMESA-N 2 2 314.473 3.054 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC=CC12CCCCC2 ZINC001655134171 1195880867 /nfs/dbraw/zinc/88/08/67/1195880867.db2.gz UCAKCBABSABVRR-IBGZPJMESA-N 2 2 314.473 3.054 20 0 DGADLP CSCc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001655226351 1195892898 /nfs/dbraw/zinc/89/28/98/1195892898.db2.gz KCAFLGUUEUHXGG-HOTGVXAUSA-N 2 2 322.518 3.139 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001655322615 1195903920 /nfs/dbraw/zinc/90/39/20/1195903920.db2.gz DKZDBBZBVPNOBD-INIZCTEOSA-N 2 2 314.477 3.439 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]CCCCn3cc[nH+]c3)sc2C1 ZINC001655396998 1195912355 /nfs/dbraw/zinc/91/23/55/1195912355.db2.gz OWAPXPCMSQSEBO-ZDUSSCGKSA-N 2 2 304.463 3.034 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001655717182 1195955448 /nfs/dbraw/zinc/95/54/48/1195955448.db2.gz ADEDVLICEIBQPZ-MRXNPFEDSA-N 2 2 314.477 3.198 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001655717182 1195955451 /nfs/dbraw/zinc/95/54/51/1195955451.db2.gz ADEDVLICEIBQPZ-MRXNPFEDSA-N 2 2 314.477 3.198 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC001655946630 1195981059 /nfs/dbraw/zinc/98/10/59/1195981059.db2.gz WWRZZPNJEURNEZ-UHFFFAOYSA-N 2 2 306.429 3.075 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC001656046732 1195991433 /nfs/dbraw/zinc/99/14/33/1195991433.db2.gz JEECFGKRARNKPE-OALUTQOASA-N 2 2 308.510 3.293 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CCC(C)CC2)C1 ZINC001656046545 1195991836 /nfs/dbraw/zinc/99/18/36/1195991836.db2.gz BMIHSBHVNHUXNG-ICSRJNTNSA-N 2 2 315.505 3.143 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CCC(C)CC2)C1 ZINC001656046545 1195991838 /nfs/dbraw/zinc/99/18/38/1195991838.db2.gz BMIHSBHVNHUXNG-ICSRJNTNSA-N 2 2 315.505 3.143 20 0 DGADLP CCc1oc2ccccc2c1C[NH2+][C@H](CO)CC[NH+](CC)CC ZINC001656554156 1196049754 /nfs/dbraw/zinc/04/97/54/1196049754.db2.gz IIMHDOJNCQYNIJ-HNNXBMFYSA-N 2 2 318.461 3.178 20 0 DGADLP CCc1oc2ccccc2c1C[NH2+][C@@H](CO)CC[NH+](CC)CC ZINC001656554158 1196049828 /nfs/dbraw/zinc/04/98/28/1196049828.db2.gz IIMHDOJNCQYNIJ-OAHLLOKOSA-N 2 2 318.461 3.178 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001656955073 1196086173 /nfs/dbraw/zinc/08/61/73/1196086173.db2.gz HZDOUKHCJNEZLD-UONOGXRCSA-N 2 2 307.507 3.089 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc3nccnc3c2)c[nH+]1 ZINC001656958583 1196087143 /nfs/dbraw/zinc/08/71/43/1196087143.db2.gz XDIFJGKPGIFNQG-UHFFFAOYSA-N 2 2 315.380 3.105 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC001657417688 1196139172 /nfs/dbraw/zinc/13/91/72/1196139172.db2.gz BGUVCEYONGBSLC-MRXNPFEDSA-N 2 2 311.410 3.466 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC001657563205 1196155300 /nfs/dbraw/zinc/15/53/00/1196155300.db2.gz NIKQPRXBKIYQGW-UHFFFAOYSA-N 2 2 313.445 3.144 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC001657563205 1196155305 /nfs/dbraw/zinc/15/53/05/1196155305.db2.gz NIKQPRXBKIYQGW-UHFFFAOYSA-N 2 2 313.445 3.144 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001657665261 1196167697 /nfs/dbraw/zinc/16/76/97/1196167697.db2.gz BBTIPABHPKNWME-MRXNPFEDSA-N 2 2 302.462 3.363 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001657665261 1196167700 /nfs/dbraw/zinc/16/77/00/1196167700.db2.gz BBTIPABHPKNWME-MRXNPFEDSA-N 2 2 302.462 3.363 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(F)c1N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657729129 1196172847 /nfs/dbraw/zinc/17/28/47/1196172847.db2.gz SZXWQZAPYSZYHA-ZDUSSCGKSA-N 2 2 310.376 3.444 20 0 DGADLP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001658440913 1196256571 /nfs/dbraw/zinc/25/65/71/1196256571.db2.gz NFFJXPXQIVOLLL-QYZOEREBSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001658440913 1196256576 /nfs/dbraw/zinc/25/65/76/1196256576.db2.gz NFFJXPXQIVOLLL-QYZOEREBSA-N 2 2 308.510 3.390 20 0 DGADLP Cc1cc(F)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(F)c1 ZINC001658807154 1196304187 /nfs/dbraw/zinc/30/41/87/1196304187.db2.gz XMTHUWSUHJFBFI-CQSZACIVSA-N 2 2 317.383 3.379 20 0 DGADLP Cc1cc(F)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(F)c1 ZINC001658807154 1196304192 /nfs/dbraw/zinc/30/41/92/1196304192.db2.gz XMTHUWSUHJFBFI-CQSZACIVSA-N 2 2 317.383 3.379 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001659091546 1196343253 /nfs/dbraw/zinc/34/32/53/1196343253.db2.gz IIIVIXGUSFYFQM-HKUYNNGSSA-N 2 2 315.505 3.223 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001659091546 1196343254 /nfs/dbraw/zinc/34/32/54/1196343254.db2.gz IIIVIXGUSFYFQM-HKUYNNGSSA-N 2 2 315.505 3.223 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n(C)n1 ZINC001659115017 1196346505 /nfs/dbraw/zinc/34/65/05/1196346505.db2.gz VMTOPNSKMKVVJL-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)n(C)n1 ZINC001659115017 1196346510 /nfs/dbraw/zinc/34/65/10/1196346510.db2.gz VMTOPNSKMKVVJL-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659267724 1196366058 /nfs/dbraw/zinc/36/60/58/1196366058.db2.gz ZMXMQZSTRUDUCK-AOIWGVFYSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659267724 1196366064 /nfs/dbraw/zinc/36/60/64/1196366064.db2.gz ZMXMQZSTRUDUCK-AOIWGVFYSA-N 2 2 304.478 3.180 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001659418827 1196381872 /nfs/dbraw/zinc/38/18/72/1196381872.db2.gz OEXAXYLRWUWIAU-IJXRJRJASA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001659418827 1196381876 /nfs/dbraw/zinc/38/18/76/1196381876.db2.gz OEXAXYLRWUWIAU-IJXRJRJASA-N 2 2 316.489 3.443 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CC1 ZINC001659454572 1196384271 /nfs/dbraw/zinc/38/42/71/1196384271.db2.gz AXDWNMRXEKPQDO-UHFFFAOYSA-N 2 2 317.864 3.452 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCn3c(cc4cc(Cl)ccc43)C2)CC1 ZINC001659454572 1196384276 /nfs/dbraw/zinc/38/42/76/1196384276.db2.gz AXDWNMRXEKPQDO-UHFFFAOYSA-N 2 2 317.864 3.452 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001659655969 1196403781 /nfs/dbraw/zinc/40/37/81/1196403781.db2.gz IDFVFZOBEMBQLS-RTBURBONSA-N 2 2 301.478 3.287 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001659674073 1196404436 /nfs/dbraw/zinc/40/44/36/1196404436.db2.gz XWDJKSDRQIWICC-LJQANCHMSA-N 2 2 316.489 3.264 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001659674073 1196404439 /nfs/dbraw/zinc/40/44/39/1196404439.db2.gz XWDJKSDRQIWICC-LJQANCHMSA-N 2 2 316.489 3.264 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC(C(C)C)C(C)C)CC1 ZINC001659779888 1196414338 /nfs/dbraw/zinc/41/43/38/1196414338.db2.gz YILHEDFPPXNQSO-UHFFFAOYSA-N 2 2 310.526 3.491 20 0 DGADLP CCCCCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001659846806 1196421246 /nfs/dbraw/zinc/42/12/46/1196421246.db2.gz IQMPIQABNSOAEL-FXAWDEMLSA-N 2 2 318.505 3.354 20 0 DGADLP CCCCCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001659846806 1196421248 /nfs/dbraw/zinc/42/12/48/1196421248.db2.gz IQMPIQABNSOAEL-FXAWDEMLSA-N 2 2 318.505 3.354 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659854900 1196422356 /nfs/dbraw/zinc/42/23/56/1196422356.db2.gz KHXKEJOVPFOQPG-JENIJYKNSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659854900 1196422358 /nfs/dbraw/zinc/42/23/58/1196422358.db2.gz KHXKEJOVPFOQPG-JENIJYKNSA-N 2 2 304.478 3.038 20 0 DGADLP COc1cccc(C2CC([NH2+][C@@H]3CC[N@@H+](C(C)(C)C)C3)C2)c1 ZINC001660263599 1196463224 /nfs/dbraw/zinc/46/32/24/1196463224.db2.gz RAZYNEYXCAJNGI-AQFXKWCLSA-N 2 2 302.462 3.404 20 0 DGADLP COc1cccc(C2CC([NH2+][C@@H]3CC[N@H+](C(C)(C)C)C3)C2)c1 ZINC001660263599 1196463227 /nfs/dbraw/zinc/46/32/27/1196463227.db2.gz RAZYNEYXCAJNGI-AQFXKWCLSA-N 2 2 302.462 3.404 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)c2ccccc2)C[C@H](C)O1 ZINC001660827799 1196530840 /nfs/dbraw/zinc/53/08/40/1196530840.db2.gz HEDFTJHRYXRLNS-CALCHBBNSA-N 2 2 304.478 3.053 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]CC(C)(C)c2ccccc2)C[C@H](C)O1 ZINC001660827799 1196530842 /nfs/dbraw/zinc/53/08/42/1196530842.db2.gz HEDFTJHRYXRLNS-CALCHBBNSA-N 2 2 304.478 3.053 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001660919127 1196541926 /nfs/dbraw/zinc/54/19/26/1196541926.db2.gz UJPNYKFCGMVVEP-KRWDZBQOSA-N 2 2 324.472 3.126 20 0 DGADLP CCOc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000077221143 1196568272 /nfs/dbraw/zinc/56/82/72/1196568272.db2.gz GTTANOYGVGOWJV-KRWDZBQOSA-N 2 2 301.434 3.486 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001661350821 1196596583 /nfs/dbraw/zinc/59/65/83/1196596583.db2.gz GDTLMVZQSSTDIH-AWEZNQCLSA-N 2 2 307.507 3.232 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001661350821 1196596588 /nfs/dbraw/zinc/59/65/88/1196596588.db2.gz GDTLMVZQSSTDIH-AWEZNQCLSA-N 2 2 307.507 3.232 20 0 DGADLP CCc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001662133532 1196685355 /nfs/dbraw/zinc/68/53/55/1196685355.db2.gz RXRXXWBYOXOQQY-CQSZACIVSA-N 2 2 307.401 3.076 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ncccc1C(F)(F)F)[NH+]1CCCCC1 ZINC001662194029 1196692761 /nfs/dbraw/zinc/69/27/61/1196692761.db2.gz KHNJLOFRJATGDA-ZDUSSCGKSA-N 2 2 315.383 3.455 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001662867094 1196765129 /nfs/dbraw/zinc/76/51/29/1196765129.db2.gz FUUVNSKAKFTBHY-APWZRJJASA-N 2 2 316.489 3.263 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403413 1196858343 /nfs/dbraw/zinc/85/83/43/1196858343.db2.gz GGOWCJMVPXKZIU-CYBMUJFWSA-N 2 2 305.466 3.105 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403413 1196858348 /nfs/dbraw/zinc/85/83/48/1196858348.db2.gz GGOWCJMVPXKZIU-CYBMUJFWSA-N 2 2 305.466 3.105 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH+]2C3CCC2CC3)c2c1OC(F)(F)O2 ZINC001664130952 1196974363 /nfs/dbraw/zinc/97/43/63/1196974363.db2.gz TXNYWTJRQFIAHQ-UHFFFAOYSA-N 2 2 324.371 3.197 20 0 DGADLP COc1cccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C(C)(C)C)C2)c1 ZINC001665217561 1197110026 /nfs/dbraw/zinc/11/00/26/1197110026.db2.gz HTYYTJNFKPGEQD-OFLPRAFFSA-N 2 2 302.462 3.404 20 0 DGADLP COc1cccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C(C)(C)C)C2)c1 ZINC001665217561 1197110035 /nfs/dbraw/zinc/11/00/35/1197110035.db2.gz HTYYTJNFKPGEQD-OFLPRAFFSA-N 2 2 302.462 3.404 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001665277150 1197117506 /nfs/dbraw/zinc/11/75/06/1197117506.db2.gz JCBAYEGLIQUWJZ-PCKAHOCUSA-N 2 2 322.493 3.103 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001665277150 1197117508 /nfs/dbraw/zinc/11/75/08/1197117508.db2.gz JCBAYEGLIQUWJZ-PCKAHOCUSA-N 2 2 322.493 3.103 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)co2)cc1 ZINC000324007038 1197692710 /nfs/dbraw/zinc/69/27/10/1197692710.db2.gz NFBSHKLNWUIIPS-APWZRJJASA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)co2)cc1 ZINC000324007038 1197692715 /nfs/dbraw/zinc/69/27/15/1197692715.db2.gz NFBSHKLNWUIIPS-APWZRJJASA-N 2 2 311.429 3.211 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000381021092 1197705211 /nfs/dbraw/zinc/70/52/11/1197705211.db2.gz WIIZLOBMYMQUQH-QGZVFWFLSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000381021092 1197705220 /nfs/dbraw/zinc/70/52/20/1197705220.db2.gz WIIZLOBMYMQUQH-QGZVFWFLSA-N 2 2 315.486 3.453 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386802371 1197707840 /nfs/dbraw/zinc/70/78/40/1197707840.db2.gz BXSLSOMRBYPXFU-NVXWUHKLSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386802371 1197707843 /nfs/dbraw/zinc/70/78/43/1197707843.db2.gz BXSLSOMRBYPXFU-NVXWUHKLSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386802372 1197708149 /nfs/dbraw/zinc/70/81/49/1197708149.db2.gz BXSLSOMRBYPXFU-RDJZCZTQSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386802372 1197708152 /nfs/dbraw/zinc/70/81/52/1197708152.db2.gz BXSLSOMRBYPXFU-RDJZCZTQSA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390537937 1197712776 /nfs/dbraw/zinc/71/27/76/1197712776.db2.gz PSJLUQXJAPLBOY-ZCNNSNEGSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390537937 1197712779 /nfs/dbraw/zinc/71/27/79/1197712779.db2.gz PSJLUQXJAPLBOY-ZCNNSNEGSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccn(-c2ccccc2)n1)C[NH+]1CCCCC1 ZINC000092172873 1198541045 /nfs/dbraw/zinc/54/10/45/1198541045.db2.gz AJXULUSZTNBJJE-KRWDZBQOSA-N 2 2 312.461 3.084 20 0 DGADLP c1[nH+]cn(C2CC[NH+](Cc3ccccc3)CC2)c1C1CC[NH2+]CC1 ZINC000301905062 1199464079 /nfs/dbraw/zinc/46/40/79/1199464079.db2.gz HLMXDNLZRFBIJS-UHFFFAOYSA-N 3 2 324.472 3.187 20 0 DGADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000113355615 1199667386 /nfs/dbraw/zinc/66/73/86/1199667386.db2.gz NLOVEYDZZDKWSD-LJQANCHMSA-N 2 2 307.397 3.350 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946798 1199797707 /nfs/dbraw/zinc/79/77/07/1199797707.db2.gz SWHRZAIWJAKZOQ-XJKSGUPXSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946798 1199797709 /nfs/dbraw/zinc/79/77/09/1199797709.db2.gz SWHRZAIWJAKZOQ-XJKSGUPXSA-N 2 2 319.499 3.432 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000126641637 1200592883 /nfs/dbraw/zinc/59/28/83/1200592883.db2.gz VLQNNZKJJXOJKU-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2OC)C1 ZINC000126641637 1200592886 /nfs/dbraw/zinc/59/28/86/1200592886.db2.gz VLQNNZKJJXOJKU-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP CCC(CC)C[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001690604868 1200643272 /nfs/dbraw/zinc/64/32/72/1200643272.db2.gz SMXKOERRVIIMRH-CQSZACIVSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1ncccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000130985199 1201089974 /nfs/dbraw/zinc/08/99/74/1201089974.db2.gz RIQZBCPIWMHZES-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cnc(C3CC3)s2)c[nH+]1 ZINC000134229657 1201199584 /nfs/dbraw/zinc/19/95/84/1201199584.db2.gz CGJLWKVVXQHEMV-UHFFFAOYSA-N 2 2 310.426 3.496 20 0 DGADLP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001698839911 1201491775 /nfs/dbraw/zinc/49/17/75/1201491775.db2.gz TUWHOOPGMANBGG-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001699523068 1201933777 /nfs/dbraw/zinc/93/37/77/1201933777.db2.gz KMCHWXLBJNUBKR-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000151160851 1202591695 /nfs/dbraw/zinc/59/16/95/1202591695.db2.gz ICWJUIRROVVAOU-CYBMUJFWSA-N 2 2 322.250 3.257 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152541633 1202594640 /nfs/dbraw/zinc/59/46/40/1202594640.db2.gz NFPXZSJERGSKLE-HUUCEWRRSA-N 2 2 321.534 3.478 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152541633 1202594641 /nfs/dbraw/zinc/59/46/41/1202594641.db2.gz NFPXZSJERGSKLE-HUUCEWRRSA-N 2 2 321.534 3.478 20 0 DGADLP c1nc2ccccn2c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000236740828 1202622567 /nfs/dbraw/zinc/62/25/67/1202622567.db2.gz MVLXXVCWSQPKSG-UHFFFAOYSA-N 2 2 320.440 3.089 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001713413035 1202647049 /nfs/dbraw/zinc/64/70/49/1202647049.db2.gz IIRYZYYQPKJBBK-TZMCWYRMSA-N 2 2 305.466 3.151 20 0 DGADLP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715984033 1203416089 /nfs/dbraw/zinc/41/60/89/1203416089.db2.gz IPDYOYGTIPFRPL-FDMDGMSGSA-N 2 2 317.477 3.461 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001733250893 1205069345 /nfs/dbraw/zinc/06/93/45/1205069345.db2.gz DQLRSUAXIWSSBG-UHFFFAOYSA-N 2 2 323.440 3.059 20 0 DGADLP COc1ccc(C)[nH+]c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046336 721969698 /nfs/dbraw/zinc/96/96/98/721969698.db2.gz FCJBNDVBKQFXEW-INIZCTEOSA-N 2 2 303.450 3.243 20 0 DGADLP COc1ccc2c[nH+]c(N3CCC(n4cc[nH+]c4)CC3)cc2c1 ZINC001167125935 1081732942 /nfs/dbraw/zinc/73/29/42/1081732942.db2.gz KACJSCTUZFIKCH-UHFFFAOYSA-N 2 2 308.385 3.281 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(-n3ccc4cc(C[NH3+])cnc43)cc21 ZINC001167316330 1081954670 /nfs/dbraw/zinc/95/46/70/1081954670.db2.gz PTUWQDONODUOSN-UHFFFAOYSA-N 2 2 318.424 3.485 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CCCC(C)C)CC2)c1 ZINC001170090190 1082065515 /nfs/dbraw/zinc/06/55/15/1082065515.db2.gz IQEZIXGZTOYIBK-MRXNPFEDSA-N 2 2 305.466 3.427 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001170403238 1082364986 /nfs/dbraw/zinc/36/49/86/1082364986.db2.gz DDHUJWSIWLXEII-KRWDZBQOSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1ccc(N2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)cc1C ZINC001207275325 1082481248 /nfs/dbraw/zinc/48/12/48/1082481248.db2.gz LZWWHMOKCPCICA-UHFFFAOYSA-N 2 2 303.494 3.013 20 0 DGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001167655778 1082659926 /nfs/dbraw/zinc/65/99/26/1082659926.db2.gz ABOFIQKRMFZPIB-UHFFFAOYSA-N 2 2 323.912 3.190 20 0 DGADLP CCC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)C ZINC001493298971 1082664392 /nfs/dbraw/zinc/66/43/92/1082664392.db2.gz HMWQFRXZOYJFGS-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)C ZINC001493298971 1082664393 /nfs/dbraw/zinc/66/43/93/1082664393.db2.gz HMWQFRXZOYJFGS-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545444 1083302685 /nfs/dbraw/zinc/30/26/85/1083302685.db2.gz OVAYNZUTJULMQD-GJZGRUSLSA-N 2 2 322.497 3.042 20 0 DGADLP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545444 1083302687 /nfs/dbraw/zinc/30/26/87/1083302687.db2.gz OVAYNZUTJULMQD-GJZGRUSLSA-N 2 2 322.497 3.042 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134740455 1083326634 /nfs/dbraw/zinc/32/66/34/1083326634.db2.gz QEAIBDLFHFYQMV-KBPBESRZSA-N 2 2 314.433 3.016 20 0 DGADLP c1ccc(CC2CC[NH+](CC[NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC001170770609 1083329398 /nfs/dbraw/zinc/32/93/98/1083329398.db2.gz HFBNLARIFJAUTG-FQEVSTJZSA-N 2 2 316.489 3.100 20 0 DGADLP C[N@@H+]1CCC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001181265513 1083439060 /nfs/dbraw/zinc/43/90/60/1083439060.db2.gz FQGZVBPHUFAZFD-QGZVFWFLSA-N 2 2 310.445 3.393 20 0 DGADLP C[N@H+]1CCC[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001181265513 1083439063 /nfs/dbraw/zinc/43/90/63/1083439063.db2.gz FQGZVBPHUFAZFD-QGZVFWFLSA-N 2 2 310.445 3.393 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167751840 1083626998 /nfs/dbraw/zinc/62/69/98/1083626998.db2.gz OGJICTFEXPIFHD-INIZCTEOSA-N 2 2 313.449 3.003 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167751840 1083627005 /nfs/dbraw/zinc/62/70/05/1083627005.db2.gz OGJICTFEXPIFHD-INIZCTEOSA-N 2 2 313.449 3.003 20 0 DGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001182357014 1083700325 /nfs/dbraw/zinc/70/03/25/1083700325.db2.gz QPTGYDRTHJEJPU-OAGGEKHMSA-N 2 2 318.461 3.484 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(F)c2Br)CC1 ZINC001205263719 1083913959 /nfs/dbraw/zinc/91/39/59/1083913959.db2.gz BZNJRTPLELQVQN-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(F)c2Br)CC1 ZINC001205263719 1083913966 /nfs/dbraw/zinc/91/39/66/1083913966.db2.gz BZNJRTPLELQVQN-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@H]1Cc2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc2O1 ZINC001183865188 1084057587 /nfs/dbraw/zinc/05/75/87/1084057587.db2.gz QBZWXMCPBLSLFW-OAHLLOKOSA-N 2 2 323.440 3.482 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCCCCF)c(C)[nH+]1 ZINC001268074357 1084102461 /nfs/dbraw/zinc/10/24/61/1084102461.db2.gz ILUMMOKMVKWZNJ-OAHLLOKOSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167914428 1084141329 /nfs/dbraw/zinc/14/13/29/1084141329.db2.gz VHJGFYDRMRFSCP-CCWDJLKJSA-N 2 2 302.437 3.487 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CCC(C)C)C(C)C)c(C)[nH+]1 ZINC001268218526 1084345550 /nfs/dbraw/zinc/34/55/50/1084345550.db2.gz DMTPPJNMIIYUJB-QGZVFWFLSA-N 2 2 319.493 3.397 20 0 DGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC=C(C)C ZINC001269442537 1085387838 /nfs/dbraw/zinc/38/78/38/1085387838.db2.gz KODRWTOFOZYWSW-MRXNPFEDSA-N 2 2 303.450 3.071 20 0 DGADLP CCC(CC)C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001269455056 1085394724 /nfs/dbraw/zinc/39/47/24/1085394724.db2.gz CYQUAXGBKLSZIS-UHFFFAOYSA-N 2 2 317.477 3.295 20 0 DGADLP O=C1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]2CCCC[C@H]12 ZINC001167983357 1085938207 /nfs/dbraw/zinc/93/82/07/1085938207.db2.gz GOFWLNBVVSJTTC-VUXNLXKLSA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]2CCCC[C@H]12 ZINC001167983357 1085938220 /nfs/dbraw/zinc/93/82/20/1085938220.db2.gz GOFWLNBVVSJTTC-VUXNLXKLSA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]2CCCC[C@H]12 ZINC001167983357 1085938227 /nfs/dbraw/zinc/93/82/27/1085938227.db2.gz GOFWLNBVVSJTTC-VUXNLXKLSA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]2CCCC[C@H]12 ZINC001167983357 1085938235 /nfs/dbraw/zinc/93/82/35/1085938235.db2.gz GOFWLNBVVSJTTC-VUXNLXKLSA-N 2 2 316.489 3.225 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CC3)CCCC2)c(C)[nH+]1 ZINC001270771725 1085985645 /nfs/dbraw/zinc/98/56/45/1085985645.db2.gz LXWPFBQGVBJBTB-UHFFFAOYSA-N 2 2 315.461 3.049 20 0 DGADLP Clc1ccc2c(C[NH+]3CCC([NH+]4CCC4)CC3)c[nH]c2c1 ZINC001141594066 1086051919 /nfs/dbraw/zinc/05/19/19/1086051919.db2.gz YUWBGNQUOIDRNH-UHFFFAOYSA-N 2 2 303.837 3.491 20 0 DGADLP Cc1nc2c(s1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167995882 1086066865 /nfs/dbraw/zinc/06/68/65/1086066865.db2.gz UIXFZEVPAVMRMJ-XYPWUTKMSA-N 2 2 317.502 3.215 20 0 DGADLP Cc1nc2c(s1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167995882 1086066876 /nfs/dbraw/zinc/06/68/76/1086066876.db2.gz UIXFZEVPAVMRMJ-XYPWUTKMSA-N 2 2 317.502 3.215 20 0 DGADLP Cc1nc2c(s1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167995882 1086066879 /nfs/dbraw/zinc/06/68/79/1086066879.db2.gz UIXFZEVPAVMRMJ-XYPWUTKMSA-N 2 2 317.502 3.215 20 0 DGADLP Cc1nc2c(s1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167995882 1086066890 /nfs/dbraw/zinc/06/68/90/1086066890.db2.gz UIXFZEVPAVMRMJ-XYPWUTKMSA-N 2 2 317.502 3.215 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001810 1086107715 /nfs/dbraw/zinc/10/77/15/1086107715.db2.gz IBMJYDAPSPVUEB-YOFSQIOKSA-N 3 2 319.537 3.196 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001810 1086107720 /nfs/dbraw/zinc/10/77/20/1086107720.db2.gz IBMJYDAPSPVUEB-YOFSQIOKSA-N 3 2 319.537 3.196 20 0 DGADLP CC(=O)C(C)(C)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168008147 1086167822 /nfs/dbraw/zinc/16/78/22/1086167822.db2.gz VZBKDZIIQXCARB-HUUCEWRRSA-N 2 2 302.462 3.385 20 0 DGADLP CC(C)[NH+]1CC(NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168017070 1086308570 /nfs/dbraw/zinc/30/85/70/1086308570.db2.gz WUYIHGLPNKIPPT-IAGOWNOFSA-N 2 2 315.505 3.110 20 0 DGADLP CC(C)N1CC([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168017070 1086308578 /nfs/dbraw/zinc/30/85/78/1086308578.db2.gz WUYIHGLPNKIPPT-IAGOWNOFSA-N 2 2 315.505 3.110 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CC(C)C)C(C)C)c(C)[nH+]1 ZINC001271868927 1086799071 /nfs/dbraw/zinc/79/90/71/1086799071.db2.gz JHWXDNJINCDPIH-MRXNPFEDSA-N 2 2 305.466 3.007 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168095052 1086858776 /nfs/dbraw/zinc/85/87/76/1086858776.db2.gz YWKDKXDYLXYZIY-KXBFYZLASA-N 2 2 320.452 3.256 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140387 1086976796 /nfs/dbraw/zinc/97/67/96/1086976796.db2.gz FKHWDQYIXNRSFP-MAUKXSAKSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140387 1086976799 /nfs/dbraw/zinc/97/67/99/1086976799.db2.gz FKHWDQYIXNRSFP-MAUKXSAKSA-N 2 2 320.452 3.289 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC001168365436 1087384763 /nfs/dbraw/zinc/38/47/63/1087384763.db2.gz ROXKBULNHKPICL-MRXNPFEDSA-N 2 2 306.837 3.238 20 0 DGADLP COc1cccnc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168368157 1087425817 /nfs/dbraw/zinc/42/58/17/1087425817.db2.gz BHXOFQMRPZSDHF-SFHVURJKSA-N 2 2 315.461 3.005 20 0 DGADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(C)[nH+]c(C)c1C ZINC001158297796 1087763761 /nfs/dbraw/zinc/76/37/61/1087763761.db2.gz TYRFACJGLLVKLC-UHFFFAOYSA-N 2 2 324.428 3.164 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001234405752 1087904337 /nfs/dbraw/zinc/90/43/37/1087904337.db2.gz UCKHHRJZWLJEFM-UHFFFAOYSA-N 2 2 318.795 3.467 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001234405752 1087904363 /nfs/dbraw/zinc/90/43/63/1087904363.db2.gz UCKHHRJZWLJEFM-UHFFFAOYSA-N 2 2 318.795 3.467 20 0 DGADLP Cc1ccc2c(Nc3ccc(O[C@@H]4CC[NH2+]C4)nc3)cccc2[nH+]1 ZINC001159333744 1088300988 /nfs/dbraw/zinc/30/09/88/1088300988.db2.gz ICMVBBIRZYHFOP-OAHLLOKOSA-N 2 2 320.396 3.423 20 0 DGADLP CC(=O)Nc1c(C)cc[nH+]c1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001159396094 1088331908 /nfs/dbraw/zinc/33/19/08/1088331908.db2.gz SQILZDKIEBELCZ-UHFFFAOYSA-N 2 2 318.465 3.412 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1cc(Br)cc(Cl)c1F ZINC001235435757 1088343178 /nfs/dbraw/zinc/34/31/78/1088343178.db2.gz XOWMOBDYKIPJES-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1cc(Br)cc(Cl)c1F ZINC001235435757 1088343188 /nfs/dbraw/zinc/34/31/88/1088343188.db2.gz XOWMOBDYKIPJES-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP FC(F)(F)Oc1cc[nH+]c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159416416 1088343383 /nfs/dbraw/zinc/34/33/83/1088343383.db2.gz YCCVPSIJYZXJSQ-UHFFFAOYSA-N 2 2 309.291 3.370 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c(F)cc(C(F)(F)F)cc1F ZINC001235925671 1088477224 /nfs/dbraw/zinc/47/72/24/1088477224.db2.gz OMGCRPNEAJKGMG-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c(F)cc(C(F)(F)F)cc1F ZINC001235925671 1088477231 /nfs/dbraw/zinc/47/72/31/1088477231.db2.gz OMGCRPNEAJKGMG-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc2[nH+]ccn21 ZINC001159872957 1088526447 /nfs/dbraw/zinc/52/64/47/1088526447.db2.gz WSIXMMQMOSBWQA-UHFFFAOYSA-N 2 2 323.400 3.004 20 0 DGADLP CCc1nc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)cc(C)[nH+]1 ZINC001159948381 1088566022 /nfs/dbraw/zinc/56/60/22/1088566022.db2.gz JEUIVELACMTXGU-CYBMUJFWSA-N 2 2 306.413 3.107 20 0 DGADLP CC(C)[PH+](CCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001154525367 1088643259 /nfs/dbraw/zinc/64/32/59/1088643259.db2.gz CFRAISQHQZFWGV-UHFFFAOYSA-N 2 2 305.362 3.363 20 0 DGADLP COc1cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)cc(C)[nH+]1 ZINC001160164229 1088678912 /nfs/dbraw/zinc/67/89/12/1088678912.db2.gz VMDHYNMGAZHJPZ-CQSZACIVSA-N 2 2 317.364 3.022 20 0 DGADLP Cc1cc(Nc2c[nH+]c(C)c(N)c2)ccc1OC1CC[NH2+]CC1 ZINC001160227917 1088711357 /nfs/dbraw/zinc/71/13/57/1088711357.db2.gz VROZULSDKNANPQ-UHFFFAOYSA-N 2 2 312.417 3.155 20 0 DGADLP CCN(C)c1cc(C)[nH+]c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160682777 1088914865 /nfs/dbraw/zinc/91/48/65/1088914865.db2.gz IRLWWGIBVYWEBG-AWEZNQCLSA-N 2 2 324.432 3.370 20 0 DGADLP Cc1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c2ccccc12 ZINC001160737449 1088936267 /nfs/dbraw/zinc/93/62/67/1088936267.db2.gz HRVHJAQZQADVBB-JSGCOSHPSA-N 2 2 309.335 3.496 20 0 DGADLP Cc1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]c2ccccc12 ZINC001160737448 1088936769 /nfs/dbraw/zinc/93/67/69/1088936769.db2.gz HRVHJAQZQADVBB-GXTWGEPZSA-N 2 2 309.335 3.496 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160734915 1088937356 /nfs/dbraw/zinc/93/73/56/1088937356.db2.gz BRFGAOCRKBYLKT-GXTWGEPZSA-N 2 2 309.335 3.496 20 0 DGADLP CCCc1cc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)nc(C)[nH+]1 ZINC001155096368 1088944414 /nfs/dbraw/zinc/94/44/14/1088944414.db2.gz QYIRZHDKWTYNNK-IBGZPJMESA-N 2 2 322.456 3.157 20 0 DGADLP CCCc1cc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)nc(C)[nH+]1 ZINC001155096368 1088944428 /nfs/dbraw/zinc/94/44/28/1088944428.db2.gz QYIRZHDKWTYNNK-IBGZPJMESA-N 2 2 322.456 3.157 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@H+](C(C)C)CC2)c(C)[nH+]1 ZINC001160761453 1088946365 /nfs/dbraw/zinc/94/63/65/1088946365.db2.gz RHKAMFJXFHXXGJ-UHFFFAOYSA-N 2 2 315.461 3.167 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@@H+](C(C)C)CC2)c(C)[nH+]1 ZINC001160761453 1088946387 /nfs/dbraw/zinc/94/63/87/1088946387.db2.gz RHKAMFJXFHXXGJ-UHFFFAOYSA-N 2 2 315.461 3.167 20 0 DGADLP Cc1c(F)cc[nH+]c1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161245956 1089166023 /nfs/dbraw/zinc/16/60/23/1089166023.db2.gz HZEDDBGDXGEYIX-UHFFFAOYSA-N 2 2 314.408 3.248 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213031679 1089175723 /nfs/dbraw/zinc/17/57/23/1089175723.db2.gz MDVCGUHNAMAZCN-UHFFFAOYSA-N 2 2 321.428 3.367 20 0 DGADLP Cc1[nH+]ccn1CCNc1[nH+]cnc2c1ccn2C1CCCC1 ZINC001156007385 1089342144 /nfs/dbraw/zinc/34/21/44/1089342144.db2.gz OIWMLEAVLWMREP-UHFFFAOYSA-N 2 2 310.405 3.163 20 0 DGADLP c1ccc2cc(NCC3(c4cccnc4)CC[NH2+]CC3)[nH+]cc2c1 ZINC001162036577 1089537634 /nfs/dbraw/zinc/53/76/34/1089537634.db2.gz NHVIEIQSSNULAV-UHFFFAOYSA-N 2 2 318.424 3.363 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)c2c1C ZINC001156773901 1089688474 /nfs/dbraw/zinc/68/84/74/1089688474.db2.gz NTKJFOZBBOLFDJ-UHFFFAOYSA-N 2 2 301.438 3.059 20 0 DGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162469210 1089749298 /nfs/dbraw/zinc/74/92/98/1089749298.db2.gz AANPWRCYYNEGBQ-KGLIPLIRSA-N 2 2 302.397 3.059 20 0 DGADLP CC(C)c1cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])nc(N(C)C)[nH+]1 ZINC001162764230 1089935466 /nfs/dbraw/zinc/93/54/66/1089935466.db2.gz VSVSJGNWFWHTEU-GFCCVEGCSA-N 2 2 324.432 3.025 20 0 DGADLP CC1(Nc2cc(-c3ccnc(Cl)c3)cc[nH+]2)CC[NH2+]CC1 ZINC001157397682 1089947800 /nfs/dbraw/zinc/94/78/00/1089947800.db2.gz XBYPRJUTIMGYDL-UHFFFAOYSA-N 2 2 302.809 3.351 20 0 DGADLP Cc1nc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c(C)c(C)[nH+]1 ZINC001157433369 1089965613 /nfs/dbraw/zinc/96/56/13/1089965613.db2.gz LGAWGFCYVFQILR-GOSISDBHSA-N 2 2 310.445 3.160 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001162917523 1090024750 /nfs/dbraw/zinc/02/47/50/1090024750.db2.gz MKBBWHRLUIWYHY-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(NCC[C@@H]3CCOC34C[NH2+]C4)c2)cc1 ZINC001163083119 1090071250 /nfs/dbraw/zinc/07/12/50/1090071250.db2.gz XGZHPNICHMOLDQ-GOSISDBHSA-N 2 2 323.440 3.238 20 0 DGADLP c1cn(Cc2ccc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)cc2)c[nH+]1 ZINC001163215050 1090118102 /nfs/dbraw/zinc/11/81/02/1090118102.db2.gz DORBXFJEMBZYRM-UXHICEINSA-N 2 2 318.424 3.447 20 0 DGADLP c1cn(Cc2ccc(N[C@@H]3C[NH2+]Cc4ccsc43)cc2)c[nH+]1 ZINC001163227819 1090125000 /nfs/dbraw/zinc/12/50/00/1090125000.db2.gz COABLDGKGOLGKT-MRXNPFEDSA-N 2 2 310.426 3.249 20 0 DGADLP COC(OC)c1cc(C)c[nH+]c1NC1CCC(C[NH+](C)C)CC1 ZINC001163301485 1090143571 /nfs/dbraw/zinc/14/35/71/1090143571.db2.gz FAMOJZRPKSPQFH-UHFFFAOYSA-N 2 2 321.465 3.214 20 0 DGADLP CCCC[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001485457545 1090170353 /nfs/dbraw/zinc/17/03/53/1090170353.db2.gz NTOQJAJIBWEFNL-INIZCTEOSA-N 2 2 320.481 3.043 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cccc(Br)c12 ZINC001236868986 1090174160 /nfs/dbraw/zinc/17/41/60/1090174160.db2.gz SZLPBJVEHOHADL-NSHDSACASA-N 2 2 310.239 3.100 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cccc(Br)c12 ZINC001236868986 1090174162 /nfs/dbraw/zinc/17/41/62/1090174162.db2.gz SZLPBJVEHOHADL-NSHDSACASA-N 2 2 310.239 3.100 20 0 DGADLP CCc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)nc(CC)[nH+]1 ZINC001163825609 1090267598 /nfs/dbraw/zinc/26/75/98/1090267598.db2.gz HQKORSJZPCJFIK-ROUUACIJSA-N 2 2 322.456 3.065 20 0 DGADLP CCc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)nc(CC)[nH+]1 ZINC001163825609 1090267605 /nfs/dbraw/zinc/26/76/05/1090267605.db2.gz HQKORSJZPCJFIK-ROUUACIJSA-N 2 2 322.456 3.065 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001237190107 1090297811 /nfs/dbraw/zinc/29/78/11/1090297811.db2.gz CPPHBOIIXJLYQO-STQMWFEESA-N 2 2 323.278 3.195 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001237190107 1090297819 /nfs/dbraw/zinc/29/78/19/1090297819.db2.gz CPPHBOIIXJLYQO-STQMWFEESA-N 2 2 323.278 3.195 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])N(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001164079594 1090335624 /nfs/dbraw/zinc/33/56/24/1090335624.db2.gz VLQATMZXDWWYND-RDJZCZTQSA-N 2 2 324.472 3.399 20 0 DGADLP Cc1cc2cc(NCC3C[NH+](Cc4ccccc4)C3)[nH+]cc2[nH]1 ZINC001165427877 1090520944 /nfs/dbraw/zinc/52/09/44/1090520944.db2.gz YPXHOUFXVRZZHS-UHFFFAOYSA-N 2 2 306.413 3.415 20 0 DGADLP [NH3+]CC[C@@H]1CN(c2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC001168549464 1090534785 /nfs/dbraw/zinc/53/47/85/1090534785.db2.gz NLODKVMRCVCHGK-OAHLLOKOSA-N 2 2 308.429 3.266 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC2(C[NH2+]CC(C)C)CC2)c(C)[nH+]1 ZINC001166301086 1090594745 /nfs/dbraw/zinc/59/47/45/1090594745.db2.gz JOWCWHBVJIHYLC-UHFFFAOYSA-N 2 2 317.477 3.153 20 0 DGADLP COc1ccc(-c2ccc(C[NH+]3CC(C)(C[NH3+])C3)s2)cc1 ZINC001206718153 1090656943 /nfs/dbraw/zinc/65/69/43/1090656943.db2.gz KMQPSMVNIBCPPJ-UHFFFAOYSA-N 2 2 302.443 3.204 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203749219 1090795993 /nfs/dbraw/zinc/79/59/93/1090795993.db2.gz YIDJWNWUJOPJMN-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC001203858463 1090821582 /nfs/dbraw/zinc/82/15/82/1090821582.db2.gz NEINKGYGFNYDHZ-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC001203858463 1090821587 /nfs/dbraw/zinc/82/15/87/1090821587.db2.gz NEINKGYGFNYDHZ-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c2ccccc12 ZINC001203996898 1090862594 /nfs/dbraw/zinc/86/25/94/1090862594.db2.gz JVMVLJINGFLJDQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c2ccccc12 ZINC001203996898 1090862602 /nfs/dbraw/zinc/86/26/02/1090862602.db2.gz JVMVLJINGFLJDQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c2ccccc12 ZINC001203996898 1090862612 /nfs/dbraw/zinc/86/26/12/1090862612.db2.gz JVMVLJINGFLJDQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c2ccccc12 ZINC001203996898 1090862623 /nfs/dbraw/zinc/86/26/23/1090862623.db2.gz JVMVLJINGFLJDQ-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)s1 ZINC001204033645 1090877254 /nfs/dbraw/zinc/87/72/54/1090877254.db2.gz MXPPTFBUJKIDRR-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)s1 ZINC001204033645 1090877261 /nfs/dbraw/zinc/87/72/61/1090877261.db2.gz MXPPTFBUJKIDRR-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(F)c2F)CC1 ZINC001204195025 1090917599 /nfs/dbraw/zinc/91/75/99/1090917599.db2.gz LGMXGOXSHKMUEK-UHFFFAOYSA-N 2 2 317.383 3.407 20 0 DGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OC)c1C ZINC001204263788 1090936605 /nfs/dbraw/zinc/93/66/05/1090936605.db2.gz NYBYOAXJYHTUBU-UHFFFAOYSA-N 2 2 315.417 3.046 20 0 DGADLP CCCOc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001204307087 1090945409 /nfs/dbraw/zinc/94/54/09/1090945409.db2.gz BIRSRNJYMBCBRD-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CCCOc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001204307087 1090945414 /nfs/dbraw/zinc/94/54/14/1090945414.db2.gz BIRSRNJYMBCBRD-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP C[C@@H](CCCC(C)(C)O)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001168705119 1090958837 /nfs/dbraw/zinc/95/88/37/1090958837.db2.gz LHZQPJAEUVLHNQ-INIZCTEOSA-N 2 2 319.493 3.180 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3C(C)=CCC[C@H]3C)CC2)c1 ZINC001204440946 1090969712 /nfs/dbraw/zinc/96/97/12/1090969712.db2.gz AWFAIGIHWRSVTL-AEFFLSMTSA-N 2 2 315.461 3.205 20 0 DGADLP Fc1cc(F)c(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204735168 1091025560 /nfs/dbraw/zinc/02/55/60/1091025560.db2.gz MOGKDKPHAFKQAT-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP Fc1cc(F)c(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204735168 1091025566 /nfs/dbraw/zinc/02/55/66/1091025566.db2.gz MOGKDKPHAFKQAT-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@](C)([NH3+])C3)c2)cc1 ZINC001204800775 1091038152 /nfs/dbraw/zinc/03/81/52/1091038152.db2.gz GMSSLVOZYYNWIW-FQEVSTJZSA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@](C)([NH3+])C3)c2)cc1 ZINC001204800775 1091038159 /nfs/dbraw/zinc/03/81/59/1091038159.db2.gz GMSSLVOZYYNWIW-FQEVSTJZSA-N 2 2 324.424 3.063 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204884919 1091054095 /nfs/dbraw/zinc/05/40/95/1091054095.db2.gz DNIUYZXEDOYBRW-IBGZPJMESA-N 2 2 309.457 3.343 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204884919 1091054102 /nfs/dbraw/zinc/05/41/02/1091054102.db2.gz DNIUYZXEDOYBRW-IBGZPJMESA-N 2 2 309.457 3.343 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001204884936 1091054372 /nfs/dbraw/zinc/05/43/72/1091054372.db2.gz FTTQLUYJVFEHRM-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001204884936 1091054377 /nfs/dbraw/zinc/05/43/77/1091054377.db2.gz FTTQLUYJVFEHRM-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205146132 1091112687 /nfs/dbraw/zinc/11/26/87/1091112687.db2.gz QCTAMFAEBIQIQO-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205146132 1091112690 /nfs/dbraw/zinc/11/26/90/1091112690.db2.gz QCTAMFAEBIQIQO-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001205201327 1091127642 /nfs/dbraw/zinc/12/76/42/1091127642.db2.gz AYENRBGMSOJWJQ-MLGOLLRUSA-N 2 2 301.821 3.324 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001205201327 1091127649 /nfs/dbraw/zinc/12/76/49/1091127649.db2.gz AYENRBGMSOJWJQ-MLGOLLRUSA-N 2 2 301.821 3.324 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC001205198454 1091128019 /nfs/dbraw/zinc/12/80/19/1091128019.db2.gz LXPOQIQVBQUGKG-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC001205198454 1091128029 /nfs/dbraw/zinc/12/80/29/1091128029.db2.gz LXPOQIQVBQUGKG-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP C[N@H+](Cc1cc(O)cc(O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001138333945 1091144023 /nfs/dbraw/zinc/14/40/23/1091144023.db2.gz XUGVABDPGGTNNQ-UHFFFAOYSA-N 2 2 318.461 3.327 20 0 DGADLP C[N@@H+](Cc1cc(O)cc(O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001138333945 1091144031 /nfs/dbraw/zinc/14/40/31/1091144031.db2.gz XUGVABDPGGTNNQ-UHFFFAOYSA-N 2 2 318.461 3.327 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303282 1091172875 /nfs/dbraw/zinc/17/28/75/1091172875.db2.gz BYBDWFWPUBOCID-WCQYABFASA-N 2 2 316.367 3.131 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303282 1091172883 /nfs/dbraw/zinc/17/28/83/1091172883.db2.gz BYBDWFWPUBOCID-WCQYABFASA-N 2 2 316.367 3.131 20 0 DGADLP COc1c(C)cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1C ZINC001138429042 1091180369 /nfs/dbraw/zinc/18/03/69/1091180369.db2.gz CVWLTRGEERPNBI-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP COc1c(C)cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1C ZINC001138429042 1091180376 /nfs/dbraw/zinc/18/03/76/1091180376.db2.gz CVWLTRGEERPNBI-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP CC(C)=CCCC1=CC[C@H](C[N@@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC001205376197 1091204366 /nfs/dbraw/zinc/20/43/66/1091204366.db2.gz CYHPIFLDGHOIEM-RBUKOAKNSA-N 2 2 306.494 3.380 20 0 DGADLP CC(C)=CCCC1=CC[C@H](C[N@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC001205376197 1091204371 /nfs/dbraw/zinc/20/43/71/1091204371.db2.gz CYHPIFLDGHOIEM-RBUKOAKNSA-N 2 2 306.494 3.380 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138532428 1091219350 /nfs/dbraw/zinc/21/93/50/1091219350.db2.gz QBNMMJGGTCVOPT-IYBDPMFKSA-N 2 2 313.470 3.194 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138532428 1091219360 /nfs/dbraw/zinc/21/93/60/1091219360.db2.gz QBNMMJGGTCVOPT-IYBDPMFKSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138532428 1091219370 /nfs/dbraw/zinc/21/93/70/1091219370.db2.gz QBNMMJGGTCVOPT-IYBDPMFKSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138532428 1091219383 /nfs/dbraw/zinc/21/93/83/1091219383.db2.gz QBNMMJGGTCVOPT-IYBDPMFKSA-N 2 2 313.470 3.194 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC001138544748 1091223252 /nfs/dbraw/zinc/22/32/52/1091223252.db2.gz OECXTRFLTZZPCC-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC001138544748 1091223258 /nfs/dbraw/zinc/22/32/58/1091223258.db2.gz OECXTRFLTZZPCC-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP C[N@H+](Cc1cccn1-c1ccccc1F)C1CC[NH+](C)CC1 ZINC001138631353 1091262841 /nfs/dbraw/zinc/26/28/41/1091262841.db2.gz QDVGUTPRHCBKRY-UHFFFAOYSA-N 2 2 301.409 3.142 20 0 DGADLP C[N@@H+](Cc1cccn1-c1ccccc1F)C1CC[NH+](C)CC1 ZINC001138631353 1091262845 /nfs/dbraw/zinc/26/28/45/1091262845.db2.gz QDVGUTPRHCBKRY-UHFFFAOYSA-N 2 2 301.409 3.142 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cnc3[nH]ccc3c2)C2CCCC2)CC1 ZINC001138743823 1091311380 /nfs/dbraw/zinc/31/13/80/1091311380.db2.gz FDLOQYFVDVZMGF-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cnc3[nH]ccc3c2)C2CCCC2)CC1 ZINC001138743823 1091311392 /nfs/dbraw/zinc/31/13/92/1091311392.db2.gz FDLOQYFVDVZMGF-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP c1cc2cccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)n2n1 ZINC001138806902 1091337026 /nfs/dbraw/zinc/33/70/26/1091337026.db2.gz SRTVSQWJOGWTRW-KRWDZBQOSA-N 2 2 312.461 3.175 20 0 DGADLP c1cc2cccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)n2n1 ZINC001138806902 1091337038 /nfs/dbraw/zinc/33/70/38/1091337038.db2.gz SRTVSQWJOGWTRW-KRWDZBQOSA-N 2 2 312.461 3.175 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819033 1091364396 /nfs/dbraw/zinc/36/43/96/1091364396.db2.gz WJIVYTXLYKZPJG-AEFFLSMTSA-N 2 2 301.478 3.236 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819033 1091364408 /nfs/dbraw/zinc/36/44/08/1091364408.db2.gz WJIVYTXLYKZPJG-AEFFLSMTSA-N 2 2 301.478 3.236 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205830245 1091370716 /nfs/dbraw/zinc/37/07/16/1091370716.db2.gz SHTYBQDQIQJEFS-HIFRSBDPSA-N 2 2 301.434 3.126 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205830245 1091370725 /nfs/dbraw/zinc/37/07/25/1091370725.db2.gz SHTYBQDQIQJEFS-HIFRSBDPSA-N 2 2 301.434 3.126 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830235 1091371010 /nfs/dbraw/zinc/37/10/10/1091371010.db2.gz SGOFNLVTKOWKTP-YOEHRIQHSA-N 2 2 302.462 3.349 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830235 1091371019 /nfs/dbraw/zinc/37/10/19/1091371019.db2.gz SGOFNLVTKOWKTP-YOEHRIQHSA-N 2 2 302.462 3.349 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001205889304 1091396187 /nfs/dbraw/zinc/39/61/87/1091396187.db2.gz XZROIHPFBGINKV-UZLBHIALSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001205889304 1091396192 /nfs/dbraw/zinc/39/61/92/1091396192.db2.gz XZROIHPFBGINKV-UZLBHIALSA-N 2 2 310.441 3.435 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(-c2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001205929744 1091419021 /nfs/dbraw/zinc/41/90/21/1091419021.db2.gz UGPABMYZRRBQQE-UHFFFAOYSA-N 2 2 318.424 3.164 20 0 DGADLP Oc1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139357702 1091534824 /nfs/dbraw/zinc/53/48/24/1091534824.db2.gz GKFAQKVDOHOCRJ-UHFFFAOYSA-N 2 2 305.381 3.136 20 0 DGADLP Oc1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139357702 1091534829 /nfs/dbraw/zinc/53/48/29/1091534829.db2.gz GKFAQKVDOHOCRJ-UHFFFAOYSA-N 2 2 305.381 3.136 20 0 DGADLP Cc1cnc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139361519 1091536383 /nfs/dbraw/zinc/53/63/83/1091536383.db2.gz SOUVMUCIFNIWMB-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1cnc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139361519 1091536389 /nfs/dbraw/zinc/53/63/89/1091536389.db2.gz SOUVMUCIFNIWMB-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@@H]1F ZINC001206211302 1091537266 /nfs/dbraw/zinc/53/72/66/1091537266.db2.gz NDVRCKAVONPKGI-IRXDYDNUSA-N 2 2 317.383 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@@H]1F ZINC001206211302 1091537272 /nfs/dbraw/zinc/53/72/72/1091537272.db2.gz NDVRCKAVONPKGI-IRXDYDNUSA-N 2 2 317.383 3.149 20 0 DGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206211376 1091537302 /nfs/dbraw/zinc/53/73/02/1091537302.db2.gz NZONUVDYIQLPFL-CHWSQXEVSA-N 2 2 302.846 3.323 20 0 DGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206211376 1091537305 /nfs/dbraw/zinc/53/73/05/1091537305.db2.gz NZONUVDYIQLPFL-CHWSQXEVSA-N 2 2 302.846 3.323 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001206257286 1091553002 /nfs/dbraw/zinc/55/30/02/1091553002.db2.gz AFXIZQOWXNTGSD-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC001206257286 1091553010 /nfs/dbraw/zinc/55/30/10/1091553010.db2.gz AFXIZQOWXNTGSD-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206352124 1091590984 /nfs/dbraw/zinc/59/09/84/1091590984.db2.gz OUJPUJUOJXCLAS-IBGZPJMESA-N 2 2 313.420 3.402 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206352124 1091590992 /nfs/dbraw/zinc/59/09/92/1091590992.db2.gz OUJPUJUOJXCLAS-IBGZPJMESA-N 2 2 313.420 3.402 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001206361576 1091598645 /nfs/dbraw/zinc/59/86/45/1091598645.db2.gz JBBIOLJJOFYHSF-IBGZPJMESA-N 2 2 315.436 3.189 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001206361576 1091598660 /nfs/dbraw/zinc/59/86/60/1091598660.db2.gz JBBIOLJJOFYHSF-IBGZPJMESA-N 2 2 315.436 3.189 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206363378 1091599772 /nfs/dbraw/zinc/59/97/72/1091599772.db2.gz VTZKBALTWZMYCK-GOSISDBHSA-N 2 2 317.408 3.303 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206363378 1091599776 /nfs/dbraw/zinc/59/97/76/1091599776.db2.gz VTZKBALTWZMYCK-GOSISDBHSA-N 2 2 317.408 3.303 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001206563307 1091670265 /nfs/dbraw/zinc/67/02/65/1091670265.db2.gz BRHKVVKNLRIQNA-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001206563307 1091670270 /nfs/dbraw/zinc/67/02/70/1091670270.db2.gz BRHKVVKNLRIQNA-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP COc1cc(F)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206589560 1091681820 /nfs/dbraw/zinc/68/18/20/1091681820.db2.gz IAZCNJXFSYTYIY-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP COc1cc(F)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC001206589560 1091681823 /nfs/dbraw/zinc/68/18/23/1091681823.db2.gz IAZCNJXFSYTYIY-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP C[C@]1(F)CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206684585 1091700814 /nfs/dbraw/zinc/70/08/14/1091700814.db2.gz UPUDZHFSMVOUQS-IBGZPJMESA-N 2 2 320.452 3.233 20 0 DGADLP C[C@]1(F)CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206684585 1091700819 /nfs/dbraw/zinc/70/08/19/1091700819.db2.gz UPUDZHFSMVOUQS-IBGZPJMESA-N 2 2 320.452 3.233 20 0 DGADLP C[C@@H]([NH3+])c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1 ZINC001206720037 1091712501 /nfs/dbraw/zinc/71/25/01/1091712501.db2.gz VILUVNBXQWAZGI-CQSZACIVSA-N 2 2 314.404 3.345 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cn1 ZINC001139931294 1091716205 /nfs/dbraw/zinc/71/62/05/1091716205.db2.gz PJPYZIWQPDZHBA-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP C[C@H]([NH3+])c1cccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001206733935 1091716963 /nfs/dbraw/zinc/71/69/63/1091716963.db2.gz IVFRHNLJQOCEKB-AWEZNQCLSA-N 2 2 314.404 3.345 20 0 DGADLP Cn1ncc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc21 ZINC001139946991 1091721035 /nfs/dbraw/zinc/72/10/35/1091721035.db2.gz WQVKXAAGXGRPJF-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001206781854 1091739403 /nfs/dbraw/zinc/73/94/03/1091739403.db2.gz JSLLGCINJCPGJI-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001206781854 1091739409 /nfs/dbraw/zinc/73/94/09/1091739409.db2.gz JSLLGCINJCPGJI-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810082 1091749649 /nfs/dbraw/zinc/74/96/49/1091749649.db2.gz MZMXBUWUEBJWFS-QWHCGFSZSA-N 2 2 312.404 3.311 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810082 1091749656 /nfs/dbraw/zinc/74/96/56/1091749656.db2.gz MZMXBUWUEBJWFS-QWHCGFSZSA-N 2 2 312.404 3.311 20 0 DGADLP Cc1ccnc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854419 1091771465 /nfs/dbraw/zinc/77/14/65/1091771465.db2.gz YZVVTXIRLAEJAA-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854419 1091771469 /nfs/dbraw/zinc/77/14/69/1091771469.db2.gz YZVVTXIRLAEJAA-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854419 1091771476 /nfs/dbraw/zinc/77/14/76/1091771476.db2.gz YZVVTXIRLAEJAA-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854419 1091771482 /nfs/dbraw/zinc/77/14/82/1091771482.db2.gz YZVVTXIRLAEJAA-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(O)cc1F ZINC001140128499 1091775711 /nfs/dbraw/zinc/77/57/11/1091775711.db2.gz QSTXOWXBILTDAW-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(O)cc1F ZINC001140128499 1091775715 /nfs/dbraw/zinc/77/57/15/1091775715.db2.gz QSTXOWXBILTDAW-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1F ZINC001140128499 1091775720 /nfs/dbraw/zinc/77/57/20/1091775720.db2.gz QSTXOWXBILTDAW-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1F ZINC001140128499 1091775724 /nfs/dbraw/zinc/77/57/24/1091775724.db2.gz QSTXOWXBILTDAW-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP Oc1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c21 ZINC001140231293 1091803382 /nfs/dbraw/zinc/80/33/82/1091803382.db2.gz HHXRTHMZGFKMGN-UHFFFAOYSA-N 2 2 313.445 3.324 20 0 DGADLP Cc1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001207059481 1091831701 /nfs/dbraw/zinc/83/17/01/1091831701.db2.gz SOULMVUUZSZQLA-KBPBESRZSA-N 2 2 319.499 3.077 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140355139 1091838724 /nfs/dbraw/zinc/83/87/24/1091838724.db2.gz XWHCHQSYRMBEJG-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140355139 1091838730 /nfs/dbraw/zinc/83/87/30/1091838730.db2.gz XWHCHQSYRMBEJG-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC/C=C\CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522837 1091921297 /nfs/dbraw/zinc/92/12/97/1091921297.db2.gz PRTCHNNILCUVBJ-JXCVUKRWSA-N 2 2 302.466 3.054 20 0 DGADLP CC/C=C\CC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522837 1091921301 /nfs/dbraw/zinc/92/13/01/1091921301.db2.gz PRTCHNNILCUVBJ-JXCVUKRWSA-N 2 2 302.466 3.054 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522837 1091921303 /nfs/dbraw/zinc/92/13/03/1091921303.db2.gz PRTCHNNILCUVBJ-JXCVUKRWSA-N 2 2 302.466 3.054 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522837 1091921308 /nfs/dbraw/zinc/92/13/08/1091921308.db2.gz PRTCHNNILCUVBJ-JXCVUKRWSA-N 2 2 302.466 3.054 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207322734 1091924490 /nfs/dbraw/zinc/92/44/90/1091924490.db2.gz DGEAWQWZVWDJHN-UHFFFAOYSA-N 2 2 323.278 3.162 20 0 DGADLP Brc1ccc(CCC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207322734 1091924499 /nfs/dbraw/zinc/92/44/99/1091924499.db2.gz DGEAWQWZVWDJHN-UHFFFAOYSA-N 2 2 323.278 3.162 20 0 DGADLP C[C@H](Cc1cccc(F)c1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716293086 1091951848 /nfs/dbraw/zinc/95/18/48/1091951848.db2.gz VVQVTVSYOSXHOL-MRXNPFEDSA-N 2 2 312.432 3.478 20 0 DGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806187 1092009750 /nfs/dbraw/zinc/00/97/50/1092009750.db2.gz XVQAMIWFJMFLHW-SFHVURJKSA-N 2 2 320.396 3.166 20 0 DGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806187 1092009761 /nfs/dbraw/zinc/00/97/61/1092009761.db2.gz XVQAMIWFJMFLHW-SFHVURJKSA-N 2 2 320.396 3.166 20 0 DGADLP COc1cccc(CCC[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001207572864 1092025863 /nfs/dbraw/zinc/02/58/63/1092025863.db2.gz GBHZGIPJNSBDSI-UHFFFAOYSA-N 2 2 304.478 3.432 20 0 DGADLP COc1cccc(CCC[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001207572864 1092025874 /nfs/dbraw/zinc/02/58/74/1092025874.db2.gz GBHZGIPJNSBDSI-UHFFFAOYSA-N 2 2 304.478 3.432 20 0 DGADLP COc1ccc(CCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001207577470 1092028120 /nfs/dbraw/zinc/02/81/20/1092028120.db2.gz DNLOUXGGQXFJEH-UHFFFAOYSA-N 2 2 314.473 3.046 20 0 DGADLP COc1ccc(CCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001207577470 1092028130 /nfs/dbraw/zinc/02/81/30/1092028130.db2.gz DNLOUXGGQXFJEH-UHFFFAOYSA-N 2 2 314.473 3.046 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001207623208 1092046858 /nfs/dbraw/zinc/04/68/58/1092046858.db2.gz SNWNNKCWTTVQEQ-MLHJIOFPSA-N 2 2 309.542 3.205 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001207623208 1092046864 /nfs/dbraw/zinc/04/68/64/1092046864.db2.gz SNWNNKCWTTVQEQ-MLHJIOFPSA-N 2 2 309.542 3.205 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnccc1C(F)(F)F ZINC001140923041 1092064669 /nfs/dbraw/zinc/06/46/69/1092064669.db2.gz NBTZRFZZRNUUAH-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnccc1C(F)(F)F ZINC001140923041 1092064677 /nfs/dbraw/zinc/06/46/77/1092064677.db2.gz NBTZRFZZRNUUAH-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1F ZINC001207763292 1092093276 /nfs/dbraw/zinc/09/32/76/1092093276.db2.gz NTTWQZBNQXQKHN-HNNXBMFYSA-N 2 2 322.468 3.334 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1F ZINC001207763292 1092093286 /nfs/dbraw/zinc/09/32/86/1092093286.db2.gz NTTWQZBNQXQKHN-HNNXBMFYSA-N 2 2 322.468 3.334 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC001207825089 1092109144 /nfs/dbraw/zinc/10/91/44/1092109144.db2.gz UDBPWIWFGKMNMD-HZPDHXFCSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC001207825089 1092109155 /nfs/dbraw/zinc/10/91/55/1092109155.db2.gz UDBPWIWFGKMNMD-HZPDHXFCSA-N 2 2 305.466 3.387 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141103717 1092138337 /nfs/dbraw/zinc/13/83/37/1092138337.db2.gz ICGRCDNWTQBHMF-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141103717 1092138341 /nfs/dbraw/zinc/13/83/41/1092138341.db2.gz ICGRCDNWTQBHMF-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141103717 1092138347 /nfs/dbraw/zinc/13/83/47/1092138347.db2.gz ICGRCDNWTQBHMF-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141103717 1092138352 /nfs/dbraw/zinc/13/83/52/1092138352.db2.gz ICGRCDNWTQBHMF-PKOBYXMFSA-N 2 2 316.489 3.137 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141116433 1092143577 /nfs/dbraw/zinc/14/35/77/1092143577.db2.gz YXYARBQSXIFPBH-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP CC(C)[N@H+](Cc1ccc(-c2ncccn2)cc1)C1CC[NH+](C)CC1 ZINC001141191050 1092167941 /nfs/dbraw/zinc/16/79/41/1092167941.db2.gz FDTREFPHUAURKC-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(-c2ncccn2)cc1)C1CC[NH+](C)CC1 ZINC001141191050 1092167943 /nfs/dbraw/zinc/16/79/43/1092167943.db2.gz FDTREFPHUAURKC-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP C[NH+](C)CC1(C[N@H+](C)CCC(=O)c2cccs2)CCCC1 ZINC001208187421 1092248519 /nfs/dbraw/zinc/24/85/19/1092248519.db2.gz KOKDGOXQXNPMNQ-UHFFFAOYSA-N 2 2 308.491 3.375 20 0 DGADLP C[NH+](C)CC1(C[N@@H+](C)CCC(=O)c2cccs2)CCCC1 ZINC001208187421 1092248529 /nfs/dbraw/zinc/24/85/29/1092248529.db2.gz KOKDGOXQXNPMNQ-UHFFFAOYSA-N 2 2 308.491 3.375 20 0 DGADLP C[NH+](C)CC1(C[N@H+](C)CCC(=O)c2ccccc2)CCCC1 ZINC001208186544 1092249460 /nfs/dbraw/zinc/24/94/60/1092249460.db2.gz UFXOCUYUTVOLFH-UHFFFAOYSA-N 2 2 302.462 3.313 20 0 DGADLP C[NH+](C)CC1(C[N@@H+](C)CCC(=O)c2ccccc2)CCCC1 ZINC001208186544 1092249469 /nfs/dbraw/zinc/24/94/69/1092249469.db2.gz UFXOCUYUTVOLFH-UHFFFAOYSA-N 2 2 302.462 3.313 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607603 1092424576 /nfs/dbraw/zinc/42/45/76/1092424576.db2.gz LXFGOMNFRWIMLJ-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607603 1092424583 /nfs/dbraw/zinc/42/45/83/1092424583.db2.gz LXFGOMNFRWIMLJ-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607603 1092424586 /nfs/dbraw/zinc/42/45/86/1092424586.db2.gz LXFGOMNFRWIMLJ-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607603 1092424594 /nfs/dbraw/zinc/42/45/94/1092424594.db2.gz LXFGOMNFRWIMLJ-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142238255 1092446287 /nfs/dbraw/zinc/44/62/87/1092446287.db2.gz MGEHDODHXDKXBI-AWEZNQCLSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142238255 1092446290 /nfs/dbraw/zinc/44/62/90/1092446290.db2.gz MGEHDODHXDKXBI-AWEZNQCLSA-N 2 2 314.433 3.064 20 0 DGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736416 1092483312 /nfs/dbraw/zinc/48/33/12/1092483312.db2.gz ZHHIMYBYWVMNOA-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736416 1092483319 /nfs/dbraw/zinc/48/33/19/1092483319.db2.gz ZHHIMYBYWVMNOA-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208736416 1092483329 /nfs/dbraw/zinc/48/33/29/1092483329.db2.gz ZHHIMYBYWVMNOA-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208736416 1092483337 /nfs/dbraw/zinc/48/33/37/1092483337.db2.gz ZHHIMYBYWVMNOA-JKSUJKDBSA-N 2 2 307.507 3.476 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117304 1092539162 /nfs/dbraw/zinc/53/91/62/1092539162.db2.gz XWDADKYMNBWQOE-UMPJEAMMSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117304 1092539167 /nfs/dbraw/zinc/53/91/67/1092539167.db2.gz XWDADKYMNBWQOE-UMPJEAMMSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848790 1092564777 /nfs/dbraw/zinc/56/47/77/1092564777.db2.gz CLBHGFQTNWNNQB-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848790 1092564787 /nfs/dbraw/zinc/56/47/87/1092564787.db2.gz CLBHGFQTNWNNQB-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848790 1092564799 /nfs/dbraw/zinc/56/47/99/1092564799.db2.gz CLBHGFQTNWNNQB-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848790 1092564809 /nfs/dbraw/zinc/56/48/09/1092564809.db2.gz CLBHGFQTNWNNQB-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP COCCOc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169154048 1092567060 /nfs/dbraw/zinc/56/70/60/1092567060.db2.gz VSUQZVJAILAWNY-YJBOKZPZSA-N 2 2 321.465 3.062 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)c1 ZINC001142941942 1092592493 /nfs/dbraw/zinc/59/24/93/1092592493.db2.gz NENMFSOXWMYORG-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)c1 ZINC001142941942 1092592500 /nfs/dbraw/zinc/59/25/00/1092592500.db2.gz NENMFSOXWMYORG-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@H]1COCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940041 1092601776 /nfs/dbraw/zinc/60/17/76/1092601776.db2.gz NXXWEYRQEGAWMP-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1COCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940041 1092601782 /nfs/dbraw/zinc/60/17/82/1092601782.db2.gz NXXWEYRQEGAWMP-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1COCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940041 1092601788 /nfs/dbraw/zinc/60/17/88/1092601788.db2.gz NXXWEYRQEGAWMP-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1COCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940041 1092601792 /nfs/dbraw/zinc/60/17/92/1092601792.db2.gz NXXWEYRQEGAWMP-OALUTQOASA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2c(OC)cccc2C(F)(F)F)CC1 ZINC001169231332 1092603931 /nfs/dbraw/zinc/60/39/31/1092603931.db2.gz YPTYOHAHRUMIJD-UHFFFAOYSA-N 2 2 316.367 3.288 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)nn2C)CC1 ZINC001143013332 1092604555 /nfs/dbraw/zinc/60/45/55/1092604555.db2.gz ZYFWOCHAOANGPB-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)nn2C)CC1 ZINC001143013332 1092604557 /nfs/dbraw/zinc/60/45/57/1092604557.db2.gz ZYFWOCHAOANGPB-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP CC(C)[C@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946297 1092604647 /nfs/dbraw/zinc/60/46/47/1092604647.db2.gz UMOIBRNEXGNMRP-VQTJNVASSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946297 1092604652 /nfs/dbraw/zinc/60/46/52/1092604652.db2.gz UMOIBRNEXGNMRP-VQTJNVASSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001208946297 1092604655 /nfs/dbraw/zinc/60/46/55/1092604655.db2.gz UMOIBRNEXGNMRP-VQTJNVASSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001208946297 1092604660 /nfs/dbraw/zinc/60/46/60/1092604660.db2.gz UMOIBRNEXGNMRP-VQTJNVASSA-N 2 2 316.489 3.255 20 0 DGADLP COc1cc(C)cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001143147664 1092622676 /nfs/dbraw/zinc/62/26/76/1092622676.db2.gz PDEKSLVXYOTPPV-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc3cccnc3[nH]2)C2CCCC2)CC1 ZINC001143226390 1092638076 /nfs/dbraw/zinc/63/80/76/1092638076.db2.gz CRJVZGCXEGASJO-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc3cccnc3[nH]2)C2CCCC2)CC1 ZINC001143226390 1092638079 /nfs/dbraw/zinc/63/80/79/1092638079.db2.gz CRJVZGCXEGASJO-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001276621493 1092679042 /nfs/dbraw/zinc/67/90/42/1092679042.db2.gz WSBRWEUZHSURIW-RBUKOAKNSA-N 2 2 316.493 3.370 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209277276 1092722301 /nfs/dbraw/zinc/72/23/01/1092722301.db2.gz JYCAXDAWUUEETD-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209277276 1092722308 /nfs/dbraw/zinc/72/23/08/1092722308.db2.gz JYCAXDAWUUEETD-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP Fc1ccc(F)c(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448789 1092779830 /nfs/dbraw/zinc/77/98/30/1092779830.db2.gz HVXFHFUCEYHMBO-MRXNPFEDSA-N 2 2 324.415 3.294 20 0 DGADLP Fc1ccc(F)c(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448789 1092779841 /nfs/dbraw/zinc/77/98/41/1092779841.db2.gz HVXFHFUCEYHMBO-MRXNPFEDSA-N 2 2 324.415 3.294 20 0 DGADLP c1ccc(COC[C@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449010 1092779921 /nfs/dbraw/zinc/77/99/21/1092779921.db2.gz PNAORWGTOBTZMO-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COC[C@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449010 1092779930 /nfs/dbraw/zinc/77/99/30/1092779930.db2.gz PNAORWGTOBTZMO-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc3c(cn2)OCCC3)CC1 ZINC001209506743 1092797696 /nfs/dbraw/zinc/79/76/96/1092797696.db2.gz WCCQGVQXPXSNOP-UHFFFAOYSA-N 2 2 317.477 3.103 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3c(cn2)OCCC3)CC1 ZINC001209506743 1092797706 /nfs/dbraw/zinc/79/77/06/1092797706.db2.gz WCCQGVQXPXSNOP-UHFFFAOYSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)[nH]1 ZINC001209571276 1092831261 /nfs/dbraw/zinc/83/12/61/1092831261.db2.gz BXGSAXSQTLBSGJ-OALUTQOASA-N 2 2 309.457 3.195 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2)CC1 ZINC001209847317 1092945948 /nfs/dbraw/zinc/94/59/48/1092945948.db2.gz BVEMUQJQMZDATB-UHFFFAOYSA-N 2 2 321.428 3.448 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3ccc4[nH]c[nH+]c4c3)cc2)CC1 ZINC001209848326 1092946725 /nfs/dbraw/zinc/94/67/25/1092946725.db2.gz KASUKGAIZBTTPV-UHFFFAOYSA-N 2 2 307.401 3.058 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679700 1093066620 /nfs/dbraw/zinc/06/66/20/1093066620.db2.gz SQJTXIMXFDWYRA-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679700 1093066629 /nfs/dbraw/zinc/06/66/29/1093066629.db2.gz SQJTXIMXFDWYRA-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679700 1093066641 /nfs/dbraw/zinc/06/66/41/1093066641.db2.gz SQJTXIMXFDWYRA-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3nccc(Cl)c13)C2 ZINC001276679700 1093066648 /nfs/dbraw/zinc/06/66/48/1093066648.db2.gz SQJTXIMXFDWYRA-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP Cc1[nH+]cc(Nc2ccc(OCCC[NH+](C)C)cc2)cc1N ZINC001210288965 1093110000 /nfs/dbraw/zinc/11/00/00/1093110000.db2.gz YHHUQAVNIIZXRL-UHFFFAOYSA-N 2 2 300.406 3.046 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH+]c(C)[nH]1 ZINC001276682390 1093129317 /nfs/dbraw/zinc/12/93/17/1093129317.db2.gz LAUYWKZWELLXHF-RYQLBKOJSA-N 2 2 304.482 3.193 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH+]c(C)[nH]1 ZINC001276682390 1093129324 /nfs/dbraw/zinc/12/93/24/1093129324.db2.gz LAUYWKZWELLXHF-RYQLBKOJSA-N 2 2 304.482 3.193 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH]c(C)[nH+]1 ZINC001276682390 1093129325 /nfs/dbraw/zinc/12/93/25/1093129325.db2.gz LAUYWKZWELLXHF-RYQLBKOJSA-N 2 2 304.482 3.193 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH]c(C)[nH+]1 ZINC001276682390 1093129330 /nfs/dbraw/zinc/12/93/30/1093129330.db2.gz LAUYWKZWELLXHF-RYQLBKOJSA-N 2 2 304.482 3.193 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C1 ZINC001210560895 1093210538 /nfs/dbraw/zinc/21/05/38/1093210538.db2.gz CFMIXVUDJUHWCP-UHFFFAOYSA-N 2 2 309.457 3.071 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000303394499 1093808564 /nfs/dbraw/zinc/80/85/64/1093808564.db2.gz UHZHYASFHYFHOY-QUCCMNQESA-N 2 2 315.505 3.115 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1 ZINC001336805729 1094744894 /nfs/dbraw/zinc/74/48/94/1094744894.db2.gz XQJCIQYRYVCCIP-DOTOQJQBSA-N 2 2 314.420 3.065 20 0 DGADLP Cc1ccc(N2CCC[C@@H](Oc3ccc4c(c3)CC[NH2+]C4)C2)[nH+]c1 ZINC001218391238 1094746276 /nfs/dbraw/zinc/74/62/76/1094746276.db2.gz RWLZQKROFNYXTP-LJQANCHMSA-N 2 2 323.440 3.084 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cc3ccccc3s2)cc1 ZINC001218581920 1094833401 /nfs/dbraw/zinc/83/34/01/1094833401.db2.gz QHIIMPJINXGHOM-AWEZNQCLSA-N 2 2 311.410 3.112 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CCCCC[NH3+])cc2)[nH+]c1C ZINC001337068968 1094840319 /nfs/dbraw/zinc/84/03/19/1094840319.db2.gz MWJCRJCNRURKAO-UHFFFAOYSA-N 2 2 300.406 3.151 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001276797516 1094891543 /nfs/dbraw/zinc/89/15/43/1094891543.db2.gz BYUFFALAIRCXKF-UHFFFAOYSA-N 2 2 301.478 3.472 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001276797516 1094891566 /nfs/dbraw/zinc/89/15/66/1094891566.db2.gz BYUFFALAIRCXKF-UHFFFAOYSA-N 2 2 301.478 3.472 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000311009715 1094946484 /nfs/dbraw/zinc/94/64/84/1094946484.db2.gz JSXDIAMKOBNTTJ-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000311009715 1094946499 /nfs/dbraw/zinc/94/64/99/1094946499.db2.gz JSXDIAMKOBNTTJ-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP Cc1[nH+]cn([C@@H]2CCc3cccc(F)c3C2)c1CSCC[NH3+] ZINC001170955744 1095018896 /nfs/dbraw/zinc/01/88/96/1095018896.db2.gz PKLZDRNSMJFYTP-CQSZACIVSA-N 2 2 319.449 3.253 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000315171067 1095092776 /nfs/dbraw/zinc/09/27/76/1095092776.db2.gz HYSVJFLMQYLQFX-RCCFBDPRSA-N 2 2 300.446 3.289 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000315171067 1095092790 /nfs/dbraw/zinc/09/27/90/1095092790.db2.gz HYSVJFLMQYLQFX-RCCFBDPRSA-N 2 2 300.446 3.289 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCC2 ZINC000315864275 1095141263 /nfs/dbraw/zinc/14/12/63/1095141263.db2.gz JMFMGVDZNSSYME-OWCLPIDISA-N 2 2 305.466 3.235 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H]1CCc3c(Cl)cccc3C1)CC[NH2+]CC2 ZINC001171036680 1095170503 /nfs/dbraw/zinc/17/05/03/1095170503.db2.gz HNTLSBCSLOEVPC-CQSZACIVSA-N 2 2 315.848 3.263 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3cc(C)ccn23)CC1 ZINC001136894296 1095225215 /nfs/dbraw/zinc/22/52/15/1095225215.db2.gz PGTUKUBQXTUFRR-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3cc(C)ccn23)CC1 ZINC001136894296 1095225222 /nfs/dbraw/zinc/22/52/22/1095225222.db2.gz PGTUKUBQXTUFRR-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP COCC[N@H+](Cc1c[nH]c2cc(C)ccc12)C1CC[NH+](C)CC1 ZINC001136973027 1095262269 /nfs/dbraw/zinc/26/22/69/1095262269.db2.gz JPYHIVQRJMPRHZ-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COCC[N@@H+](Cc1c[nH]c2cc(C)ccc12)C1CC[NH+](C)CC1 ZINC001136973027 1095262281 /nfs/dbraw/zinc/26/22/81/1095262281.db2.gz JPYHIVQRJMPRHZ-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1C(F)(F)F ZINC001143628009 1095321076 /nfs/dbraw/zinc/32/10/76/1095321076.db2.gz DUPMRPZJFDHHIG-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1C(F)(F)F ZINC001143628009 1095321094 /nfs/dbraw/zinc/32/10/94/1095321094.db2.gz DUPMRPZJFDHHIG-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171108275 1095389265 /nfs/dbraw/zinc/38/92/65/1095389265.db2.gz GJKVULWOEYSHGA-SJORKVTESA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171108275 1095389279 /nfs/dbraw/zinc/38/92/79/1095389279.db2.gz GJKVULWOEYSHGA-SJORKVTESA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001171113866 1095410828 /nfs/dbraw/zinc/41/08/28/1095410828.db2.gz XBLOMVFSBIDCHV-INIZCTEOSA-N 2 2 302.805 3.261 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222149231 1095459483 /nfs/dbraw/zinc/45/94/83/1095459483.db2.gz WNDQNBMJVFSQQX-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222149231 1095459490 /nfs/dbraw/zinc/45/94/90/1095459490.db2.gz WNDQNBMJVFSQQX-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001222155124 1095463308 /nfs/dbraw/zinc/46/33/08/1095463308.db2.gz WIBWASNLOWAEGL-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001222155124 1095463309 /nfs/dbraw/zinc/46/33/09/1095463309.db2.gz WIBWASNLOWAEGL-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160787 1095467454 /nfs/dbraw/zinc/46/74/54/1095467454.db2.gz IRPDAQPGVZMXIO-KRWDZBQOSA-N 2 2 324.900 3.128 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160787 1095467460 /nfs/dbraw/zinc/46/74/60/1095467460.db2.gz IRPDAQPGVZMXIO-KRWDZBQOSA-N 2 2 324.900 3.128 20 0 DGADLP CCOc1ccncc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161998 1095469488 /nfs/dbraw/zinc/46/94/88/1095469488.db2.gz VMWHFIIMNIYYPW-IBGZPJMESA-N 2 2 317.477 3.226 20 0 DGADLP CCOc1ccncc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161998 1095469490 /nfs/dbraw/zinc/46/94/90/1095469490.db2.gz VMWHFIIMNIYYPW-IBGZPJMESA-N 2 2 317.477 3.226 20 0 DGADLP Oc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222172933 1095478814 /nfs/dbraw/zinc/47/88/14/1095478814.db2.gz OJACKNQFPYAQLF-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222172933 1095478819 /nfs/dbraw/zinc/47/88/19/1095478819.db2.gz OJACKNQFPYAQLF-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222191826 1095483588 /nfs/dbraw/zinc/48/35/88/1095483588.db2.gz PMYLMXUEJQGFME-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222191826 1095483591 /nfs/dbraw/zinc/48/35/91/1095483591.db2.gz PMYLMXUEJQGFME-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cn2)cc1 ZINC001222242539 1095508230 /nfs/dbraw/zinc/50/82/30/1095508230.db2.gz DWTSUYDDQYFDBW-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cn2)cc1 ZINC001222242539 1095508236 /nfs/dbraw/zinc/50/82/36/1095508236.db2.gz DWTSUYDDQYFDBW-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP [NH3+]CCc1[nH+]ccn1[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138870 1095509194 /nfs/dbraw/zinc/50/91/94/1095509194.db2.gz GCZIGZLMVLHSSU-LBPRGKRZSA-N 2 2 310.228 3.421 20 0 DGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152097 1095567929 /nfs/dbraw/zinc/56/79/29/1095567929.db2.gz NDJAZZPJLINLQC-MRXNPFEDSA-N 2 2 322.497 3.043 20 0 DGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152097 1095567939 /nfs/dbraw/zinc/56/79/39/1095567939.db2.gz NDJAZZPJLINLQC-MRXNPFEDSA-N 2 2 322.497 3.043 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1C ZINC001222385533 1095584589 /nfs/dbraw/zinc/58/45/89/1095584589.db2.gz PNNHLQZUAQMISP-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1C ZINC001222385533 1095584595 /nfs/dbraw/zinc/58/45/95/1095584595.db2.gz PNNHLQZUAQMISP-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP Cc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc2c[nH+]cn21 ZINC001116531007 1095590010 /nfs/dbraw/zinc/59/00/10/1095590010.db2.gz WIMLLIXADUIJKQ-UHFFFAOYSA-N 2 2 317.352 3.081 20 0 DGADLP CCc1cccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001144324153 1095605888 /nfs/dbraw/zinc/60/58/88/1095605888.db2.gz YFFNDQOPPBYNIP-UHFFFAOYSA-N 2 2 316.489 3.324 20 0 DGADLP CCc1cccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001144324153 1095605893 /nfs/dbraw/zinc/60/58/93/1095605893.db2.gz YFFNDQOPPBYNIP-UHFFFAOYSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](F)c1ccccc1 ZINC001116650156 1095626376 /nfs/dbraw/zinc/62/63/76/1095626376.db2.gz LUXJMONOEXVNCO-INIZCTEOSA-N 2 2 310.332 3.225 20 0 DGADLP [NH3+]CC1(F)CC[NH+](Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001222548690 1095661785 /nfs/dbraw/zinc/66/17/85/1095661785.db2.gz YYCWCULCISUPSG-UHFFFAOYSA-N 2 2 309.187 3.395 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246576060 1095727294 /nfs/dbraw/zinc/72/72/94/1095727294.db2.gz YZBBLQSYYSOCFB-RYUDHWBXSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246576060 1095727306 /nfs/dbraw/zinc/72/73/06/1095727306.db2.gz YZBBLQSYYSOCFB-RYUDHWBXSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649647 1095961429 /nfs/dbraw/zinc/96/14/29/1095961429.db2.gz PVYAMNOIBZHIJG-CYBMUJFWSA-N 2 2 323.278 3.208 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])c2)[nH+]c1C ZINC001118219124 1095962929 /nfs/dbraw/zinc/96/29/29/1095962929.db2.gz PVFGQDBQEXAORN-JKSUJKDBSA-N 2 2 312.417 3.150 20 0 DGADLP Brc1cccc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC001246839377 1096025770 /nfs/dbraw/zinc/02/57/70/1096025770.db2.gz AKBMINZLINCOMS-HNNXBMFYSA-N 2 2 309.251 3.338 20 0 DGADLP Brc1cccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC001246839377 1096025782 /nfs/dbraw/zinc/02/57/82/1096025782.db2.gz AKBMINZLINCOMS-HNNXBMFYSA-N 2 2 309.251 3.338 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001118815446 1096084961 /nfs/dbraw/zinc/08/49/61/1096084961.db2.gz JDJCRLGEANKFGG-CYBMUJFWSA-N 2 2 319.836 3.234 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH+]1CCC[NH2+]CCC1 ZINC001246904781 1096151086 /nfs/dbraw/zinc/15/10/86/1096151086.db2.gz IOJNCQLOMZGMAN-ZDUSSCGKSA-N 2 2 311.267 3.066 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001171451357 1096872717 /nfs/dbraw/zinc/87/27/17/1096872717.db2.gz ZUZDGIBAPFPSJV-MRXNPFEDSA-N 2 2 308.416 3.288 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001171451356 1096872881 /nfs/dbraw/zinc/87/28/81/1096872881.db2.gz ZUZDGIBAPFPSJV-INIZCTEOSA-N 2 2 308.416 3.288 20 0 DGADLP Cn1c2ccccc2nc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613157 1096934522 /nfs/dbraw/zinc/93/45/22/1096934522.db2.gz GLTDDNHDXHVJBL-UHFFFAOYSA-N 2 2 314.477 3.314 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)c2ccccc2F)CC1(C)C ZINC001171626835 1096938720 /nfs/dbraw/zinc/93/87/20/1096938720.db2.gz CUNLERUMIZXNLM-MRXNPFEDSA-N 2 2 308.441 3.100 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641332 1096949188 /nfs/dbraw/zinc/94/91/88/1096949188.db2.gz OWOXWOAUXUPWSM-UHFFFAOYSA-N 3 2 309.542 3.442 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641332 1096949191 /nfs/dbraw/zinc/94/91/91/1096949191.db2.gz OWOXWOAUXUPWSM-UHFFFAOYSA-N 3 2 309.542 3.442 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001171776680 1096969136 /nfs/dbraw/zinc/96/91/36/1096969136.db2.gz ZJDIYALPFGMVBR-SFHVURJKSA-N 2 2 310.416 3.015 20 0 DGADLP Fc1cccc2c1C[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171795559 1096980881 /nfs/dbraw/zinc/98/08/81/1096980881.db2.gz YTTROSCNSKGRCJ-OAHLLOKOSA-N 2 2 312.388 3.231 20 0 DGADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H]2CO3)CC[N@@H+]1Cc1ccccc1 ZINC001171990133 1097015959 /nfs/dbraw/zinc/01/59/59/1097015959.db2.gz KQXLEVDQNHMIIH-IPMKNSEASA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H]2CO3)CC[N@H+]1Cc1ccccc1 ZINC001171990133 1097015963 /nfs/dbraw/zinc/01/59/63/1097015963.db2.gz KQXLEVDQNHMIIH-IPMKNSEASA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2C[C@H]3CC[C@@H]2CO3)CC[NH+]1Cc1ccccc1 ZINC001171990133 1097015967 /nfs/dbraw/zinc/01/59/67/1097015967.db2.gz KQXLEVDQNHMIIH-IPMKNSEASA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2C[C@H]3CC[C@@H]2CO3)CC[NH+]1Cc1ccccc1 ZINC001171990133 1097015971 /nfs/dbraw/zinc/01/59/71/1097015971.db2.gz KQXLEVDQNHMIIH-IPMKNSEASA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001171975452 1097022713 /nfs/dbraw/zinc/02/27/13/1097022713.db2.gz CZEZYVINYPBSRM-GBESFXJTSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001171975452 1097022717 /nfs/dbraw/zinc/02/27/17/1097022717.db2.gz CZEZYVINYPBSRM-GBESFXJTSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1Cc1ccccc1 ZINC001171975452 1097022722 /nfs/dbraw/zinc/02/27/22/1097022722.db2.gz CZEZYVINYPBSRM-GBESFXJTSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1Cc1ccccc1 ZINC001171975452 1097022728 /nfs/dbraw/zinc/02/27/28/1097022728.db2.gz CZEZYVINYPBSRM-GBESFXJTSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131381 1097050429 /nfs/dbraw/zinc/05/04/29/1097050429.db2.gz WNELDFJJBOLPLD-BWTSREIZSA-N 2 2 322.456 3.203 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131381 1097050432 /nfs/dbraw/zinc/05/04/32/1097050432.db2.gz WNELDFJJBOLPLD-BWTSREIZSA-N 2 2 322.456 3.203 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131381 1097050436 /nfs/dbraw/zinc/05/04/36/1097050436.db2.gz WNELDFJJBOLPLD-BWTSREIZSA-N 2 2 322.456 3.203 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131381 1097050439 /nfs/dbraw/zinc/05/04/39/1097050439.db2.gz WNELDFJJBOLPLD-BWTSREIZSA-N 2 2 322.456 3.203 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133373 1097050985 /nfs/dbraw/zinc/05/09/85/1097050985.db2.gz SFYNPYYIYYEBRJ-ZSHCYNCHSA-N 2 2 306.400 3.338 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133373 1097050991 /nfs/dbraw/zinc/05/09/91/1097050991.db2.gz SFYNPYYIYYEBRJ-ZSHCYNCHSA-N 2 2 306.400 3.338 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133373 1097050997 /nfs/dbraw/zinc/05/09/97/1097050997.db2.gz SFYNPYYIYYEBRJ-ZSHCYNCHSA-N 2 2 306.400 3.338 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133373 1097051003 /nfs/dbraw/zinc/05/10/03/1097051003.db2.gz SFYNPYYIYYEBRJ-ZSHCYNCHSA-N 2 2 306.400 3.338 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131386 1097051097 /nfs/dbraw/zinc/05/10/97/1097051097.db2.gz WNELDFJJBOLPLD-REPLKXPHSA-N 2 2 322.456 3.203 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131386 1097051100 /nfs/dbraw/zinc/05/11/00/1097051100.db2.gz WNELDFJJBOLPLD-REPLKXPHSA-N 2 2 322.456 3.203 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131386 1097051107 /nfs/dbraw/zinc/05/11/07/1097051107.db2.gz WNELDFJJBOLPLD-REPLKXPHSA-N 2 2 322.456 3.203 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3cnn(-c4ccccc4)c3C1)C2 ZINC001172131386 1097051114 /nfs/dbraw/zinc/05/11/14/1097051114.db2.gz WNELDFJJBOLPLD-REPLKXPHSA-N 2 2 322.456 3.203 20 0 DGADLP Cc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172115083 1097061693 /nfs/dbraw/zinc/06/16/93/1097061693.db2.gz UGWGBGRSAGNCCN-REPLKXPHSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172115083 1097061699 /nfs/dbraw/zinc/06/16/99/1097061699.db2.gz UGWGBGRSAGNCCN-REPLKXPHSA-N 2 2 313.489 3.132 20 0 DGADLP C[N@H+](CCC(=O)c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124358 1097065842 /nfs/dbraw/zinc/06/58/42/1097065842.db2.gz KXBMTJYEJFIMQR-BCDXTJNWSA-N 2 2 300.446 3.207 20 0 DGADLP C[N@@H+](CCC(=O)c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124358 1097065846 /nfs/dbraw/zinc/06/58/46/1097065846.db2.gz KXBMTJYEJFIMQR-BCDXTJNWSA-N 2 2 300.446 3.207 20 0 DGADLP C[NH+](CCC(=O)c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124358 1097065852 /nfs/dbraw/zinc/06/58/52/1097065852.db2.gz KXBMTJYEJFIMQR-BCDXTJNWSA-N 2 2 300.446 3.207 20 0 DGADLP C[NH+](CCC(=O)c1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124358 1097065858 /nfs/dbraw/zinc/06/58/58/1097065858.db2.gz KXBMTJYEJFIMQR-BCDXTJNWSA-N 2 2 300.446 3.207 20 0 DGADLP C[N@H+](CCC(=O)c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124365 1097065993 /nfs/dbraw/zinc/06/59/93/1097065993.db2.gz KXBMTJYEJFIMQR-PIIMJCKOSA-N 2 2 300.446 3.207 20 0 DGADLP C[N@@H+](CCC(=O)c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124365 1097065999 /nfs/dbraw/zinc/06/59/99/1097065999.db2.gz KXBMTJYEJFIMQR-PIIMJCKOSA-N 2 2 300.446 3.207 20 0 DGADLP C[NH+](CCC(=O)c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124365 1097066005 /nfs/dbraw/zinc/06/60/05/1097066005.db2.gz KXBMTJYEJFIMQR-PIIMJCKOSA-N 2 2 300.446 3.207 20 0 DGADLP C[NH+](CCC(=O)c1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124365 1097066007 /nfs/dbraw/zinc/06/60/07/1097066007.db2.gz KXBMTJYEJFIMQR-PIIMJCKOSA-N 2 2 300.446 3.207 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172200943 1097085692 /nfs/dbraw/zinc/08/56/92/1097085692.db2.gz LSNXXGGBZMBYJV-ROUUACIJSA-N 2 2 310.466 3.089 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172200943 1097085693 /nfs/dbraw/zinc/08/56/93/1097085693.db2.gz LSNXXGGBZMBYJV-ROUUACIJSA-N 2 2 310.466 3.089 20 0 DGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172323756 1097100865 /nfs/dbraw/zinc/10/08/65/1097100865.db2.gz JGFLICVEDOBOMB-HZPDHXFCSA-N 2 2 305.466 3.234 20 0 DGADLP CC[C@H](CC(C)C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172403404 1097129678 /nfs/dbraw/zinc/12/96/78/1097129678.db2.gz SBYXSZSYYNFTAP-QGZVFWFLSA-N 2 2 304.482 3.119 20 0 DGADLP CC[C@H](CC(C)C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172403404 1097129680 /nfs/dbraw/zinc/12/96/80/1097129680.db2.gz SBYXSZSYYNFTAP-QGZVFWFLSA-N 2 2 304.482 3.119 20 0 DGADLP CCOCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172419933 1097135396 /nfs/dbraw/zinc/13/53/96/1097135396.db2.gz NXBIAODWXLXPCI-HKUYNNGSSA-N 2 2 304.478 3.098 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc[nH+]1 ZINC001172385489 1097141865 /nfs/dbraw/zinc/14/18/65/1097141865.db2.gz YNAKGQUCIUGPMQ-BFYDXBDKSA-N 2 2 317.477 3.473 20 0 DGADLP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172401235 1097145709 /nfs/dbraw/zinc/14/57/09/1097145709.db2.gz KYNZTJRUVDXWET-SCTDSRPQSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172401235 1097145710 /nfs/dbraw/zinc/14/57/10/1097145710.db2.gz KYNZTJRUVDXWET-SCTDSRPQSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172401235 1097145715 /nfs/dbraw/zinc/14/57/15/1097145715.db2.gz KYNZTJRUVDXWET-SCTDSRPQSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172401235 1097145718 /nfs/dbraw/zinc/14/57/18/1097145718.db2.gz KYNZTJRUVDXWET-SCTDSRPQSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)OCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172439519 1097154195 /nfs/dbraw/zinc/15/41/95/1097154195.db2.gz BPYSPAOLOZJDCT-ICSRJNTNSA-N 2 2 318.505 3.487 20 0 DGADLP OC1C[NH+](Cc2ccc(Nc3cc[nH+]c(C4CCC4)c3)cc2)C1 ZINC001212667464 1097164801 /nfs/dbraw/zinc/16/48/01/1097164801.db2.gz ULUPVOKCMBMKHB-UHFFFAOYSA-N 2 2 309.413 3.269 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206165864 1097175846 /nfs/dbraw/zinc/17/58/46/1097175846.db2.gz PMQMIRYJYOEXST-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206165864 1097175849 /nfs/dbraw/zinc/17/58/49/1097175849.db2.gz PMQMIRYJYOEXST-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Br ZINC001206165869 1097176678 /nfs/dbraw/zinc/17/66/78/1097176678.db2.gz PMQMIRYJYOEXST-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Br ZINC001206165869 1097176682 /nfs/dbraw/zinc/17/66/82/1097176682.db2.gz PMQMIRYJYOEXST-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC1C[NH+](C)C1 ZINC001172575815 1097185076 /nfs/dbraw/zinc/18/50/76/1097185076.db2.gz JDOOWPLTXSPWRT-SNVBAGLBSA-N 2 2 302.796 3.091 20 0 DGADLP COC(=O)[C@H]1CCC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637540 1097200888 /nfs/dbraw/zinc/20/08/88/1097200888.db2.gz RUBYTIKJUDRJTC-YJBOKZPZSA-N 2 2 322.493 3.057 20 0 DGADLP COC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637540 1097200893 /nfs/dbraw/zinc/20/08/93/1097200893.db2.gz RUBYTIKJUDRJTC-YJBOKZPZSA-N 2 2 322.493 3.057 20 0 DGADLP Oc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001204095802 1097209113 /nfs/dbraw/zinc/20/91/13/1097209113.db2.gz ADQBDBQMKBYJFG-UHFFFAOYSA-N 2 2 322.452 3.415 20 0 DGADLP Oc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001204095802 1097209119 /nfs/dbraw/zinc/20/91/19/1097209119.db2.gz ADQBDBQMKBYJFG-UHFFFAOYSA-N 2 2 322.452 3.415 20 0 DGADLP Clc1ccc2c(c1)C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001172721218 1097215887 /nfs/dbraw/zinc/21/58/87/1097215887.db2.gz CZQCHFOYRDRREN-XJKSGUPXSA-N 2 2 301.821 3.343 20 0 DGADLP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001173253529 1097386170 /nfs/dbraw/zinc/38/61/70/1097386170.db2.gz PRFCIYNKUTUGLD-UFYCRDLUSA-N 2 2 317.521 3.393 20 0 DGADLP CCSC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001173305993 1097405766 /nfs/dbraw/zinc/40/57/66/1097405766.db2.gz WWKKQDHTTKVUJU-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001173305993 1097405769 /nfs/dbraw/zinc/40/57/69/1097405769.db2.gz WWKKQDHTTKVUJU-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001173305993 1097405772 /nfs/dbraw/zinc/40/57/72/1097405772.db2.gz WWKKQDHTTKVUJU-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001173305993 1097405775 /nfs/dbraw/zinc/40/57/75/1097405775.db2.gz WWKKQDHTTKVUJU-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197369 1097408630 /nfs/dbraw/zinc/40/86/30/1097408630.db2.gz HYEGEQYPENIKEC-OLZOCXBDSA-N 2 2 302.846 3.323 20 0 DGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197369 1097408632 /nfs/dbraw/zinc/40/86/32/1097408632.db2.gz HYEGEQYPENIKEC-OLZOCXBDSA-N 2 2 302.846 3.323 20 0 DGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197370 1097408697 /nfs/dbraw/zinc/40/86/97/1097408697.db2.gz HYEGEQYPENIKEC-QWHCGFSZSA-N 2 2 302.846 3.323 20 0 DGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197370 1097408701 /nfs/dbraw/zinc/40/87/01/1097408701.db2.gz HYEGEQYPENIKEC-QWHCGFSZSA-N 2 2 302.846 3.323 20 0 DGADLP CCSC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001173290528 1097415995 /nfs/dbraw/zinc/41/59/95/1097415995.db2.gz GVRFZWYARNPQNP-GXFFZTMASA-N 2 2 317.296 3.180 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001231084151 1097665306 /nfs/dbraw/zinc/66/53/06/1097665306.db2.gz YRARNPWBADVHNA-MNZLEMJZSA-N 2 2 311.429 3.196 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001231084151 1097665311 /nfs/dbraw/zinc/66/53/11/1097665311.db2.gz YRARNPWBADVHNA-MNZLEMJZSA-N 2 2 311.429 3.196 20 0 DGADLP c1cc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ncc2[nH]1 ZINC001231665481 1097810732 /nfs/dbraw/zinc/81/07/32/1097810732.db2.gz LZCYYNWQMGNVCO-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1cc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ncc2[nH]1 ZINC001231665481 1097810739 /nfs/dbraw/zinc/81/07/39/1097810739.db2.gz LZCYYNWQMGNVCO-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP COCc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001231695039 1097818069 /nfs/dbraw/zinc/81/80/69/1097818069.db2.gz QMSIKTQVFGKYSL-UHFFFAOYSA-N 2 2 311.385 3.244 20 0 DGADLP COCc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001231695039 1097818080 /nfs/dbraw/zinc/81/80/80/1097818080.db2.gz QMSIKTQVFGKYSL-UHFFFAOYSA-N 2 2 311.385 3.244 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001232144963 1097950295 /nfs/dbraw/zinc/95/02/95/1097950295.db2.gz PZWNMMZVRDCGHN-CVEARBPZSA-N 2 2 300.368 3.159 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001232144963 1097950302 /nfs/dbraw/zinc/95/03/02/1097950302.db2.gz PZWNMMZVRDCGHN-CVEARBPZSA-N 2 2 300.368 3.159 20 0 DGADLP C[NH+](C)Cc1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175714825 1098141204 /nfs/dbraw/zinc/14/12/04/1098141204.db2.gz VUFXYNKGHYXSEW-UHFFFAOYSA-N 2 2 310.323 3.488 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cncc(-c4ccccc4)c3)C[C@H]2C1 ZINC001232903841 1098170020 /nfs/dbraw/zinc/17/00/20/1098170020.db2.gz SPUKTNFNKBMHNP-WOJBJXKFSA-N 2 2 307.441 3.132 20 0 DGADLP COCC[N@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC001232984193 1098192610 /nfs/dbraw/zinc/19/26/10/1098192610.db2.gz ZEXNFUJNELLAJX-UHFFFAOYSA-N 2 2 302.462 3.107 20 0 DGADLP COCC[N@@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC001232984193 1098192614 /nfs/dbraw/zinc/19/26/14/1098192614.db2.gz ZEXNFUJNELLAJX-UHFFFAOYSA-N 2 2 302.462 3.107 20 0 DGADLP Cc1cc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001233007963 1098201046 /nfs/dbraw/zinc/20/10/46/1098201046.db2.gz XHFAGJDLAJSYIW-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP [NH3+]Cc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001175965235 1098213572 /nfs/dbraw/zinc/21/35/72/1098213572.db2.gz XUZKSNHTCDPNHV-UHFFFAOYSA-N 2 2 317.190 3.299 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233233852 1098259752 /nfs/dbraw/zinc/25/97/52/1098259752.db2.gz SAUMOVLAOWHUGL-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233233852 1098259756 /nfs/dbraw/zinc/25/97/56/1098259756.db2.gz SAUMOVLAOWHUGL-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233233852 1098259759 /nfs/dbraw/zinc/25/97/59/1098259759.db2.gz SAUMOVLAOWHUGL-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233233852 1098259760 /nfs/dbraw/zinc/25/97/60/1098259760.db2.gz SAUMOVLAOWHUGL-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP COc1c(O)cccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233256499 1098265318 /nfs/dbraw/zinc/26/53/18/1098265318.db2.gz GDXBBEIACKVNTH-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP COc1c(O)cccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233256499 1098265326 /nfs/dbraw/zinc/26/53/26/1098265326.db2.gz GDXBBEIACKVNTH-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP COCOc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001233278740 1098273366 /nfs/dbraw/zinc/27/33/66/1098273366.db2.gz DQTRICULYMKJPH-UHFFFAOYSA-N 2 2 318.461 3.120 20 0 DGADLP Cc1cn2c(cccc2Nc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC001176222902 1098286904 /nfs/dbraw/zinc/28/69/04/1098286904.db2.gz WVFBEKJOBHCAJI-UHFFFAOYSA-N 2 2 310.401 3.327 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)c(F)cc1N ZINC001233381550 1098309024 /nfs/dbraw/zinc/30/90/24/1098309024.db2.gz JDJONOCUWVDPMC-LSDHHAIUSA-N 2 2 323.431 3.386 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)c(F)cc1N ZINC001233381550 1098309030 /nfs/dbraw/zinc/30/90/30/1098309030.db2.gz JDJONOCUWVDPMC-LSDHHAIUSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1N ZINC001233381550 1098309035 /nfs/dbraw/zinc/30/90/35/1098309035.db2.gz JDJONOCUWVDPMC-LSDHHAIUSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1N ZINC001233381550 1098309042 /nfs/dbraw/zinc/30/90/42/1098309042.db2.gz JDJONOCUWVDPMC-LSDHHAIUSA-N 2 2 323.431 3.386 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001206277619 1098388273 /nfs/dbraw/zinc/38/82/73/1098388273.db2.gz VSBQFFGNJMMYOA-LLVKDONJSA-N 2 2 304.381 3.340 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001206277619 1098388277 /nfs/dbraw/zinc/38/82/77/1098388277.db2.gz VSBQFFGNJMMYOA-LLVKDONJSA-N 2 2 304.381 3.340 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H](F)C2)ccc1-n1cc[nH+]c1 ZINC001234034197 1098480648 /nfs/dbraw/zinc/48/06/48/1098480648.db2.gz ZGBNSQISOFVDDX-OAHLLOKOSA-N 2 2 303.381 3.205 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccc1-n1cc[nH+]c1 ZINC001234034197 1098480650 /nfs/dbraw/zinc/48/06/50/1098480650.db2.gz ZGBNSQISOFVDDX-OAHLLOKOSA-N 2 2 303.381 3.205 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC001177222764 1098497042 /nfs/dbraw/zinc/49/70/42/1098497042.db2.gz OMDLWAFLMQQXMS-PKOBYXMFSA-N 2 2 313.445 3.226 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC001234689571 1098645019 /nfs/dbraw/zinc/64/50/19/1098645019.db2.gz VGSNTGZELFVYEM-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC001234689571 1098645025 /nfs/dbraw/zinc/64/50/25/1098645025.db2.gz VGSNTGZELFVYEM-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993475 1098738934 /nfs/dbraw/zinc/73/89/34/1098738934.db2.gz PTPXUZBAIGOULM-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234993475 1098738942 /nfs/dbraw/zinc/73/89/42/1098738942.db2.gz PTPXUZBAIGOULM-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235005805 1098746550 /nfs/dbraw/zinc/74/65/50/1098746550.db2.gz JRWZIOJQSNHWHO-PKOBYXMFSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235005805 1098746558 /nfs/dbraw/zinc/74/65/58/1098746558.db2.gz JRWZIOJQSNHWHO-PKOBYXMFSA-N 2 2 308.425 3.156 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916612 1098752266 /nfs/dbraw/zinc/75/22/66/1098752266.db2.gz LTISTRRAMACUQN-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916612 1098752276 /nfs/dbraw/zinc/75/22/76/1098752276.db2.gz LTISTRRAMACUQN-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916612 1098752286 /nfs/dbraw/zinc/75/22/86/1098752286.db2.gz LTISTRRAMACUQN-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916612 1098752295 /nfs/dbraw/zinc/75/22/95/1098752295.db2.gz LTISTRRAMACUQN-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1OCc1ccccc1 ZINC001235024874 1098757881 /nfs/dbraw/zinc/75/78/81/1098757881.db2.gz QZRVWRSZXZIJBA-UHFFFAOYSA-N 2 2 322.452 3.369 20 0 DGADLP Cc1cccc(C[N@H+]2CCC3(C[NH2+]C3)C2)c1OCc1ccccc1 ZINC001235024874 1098757894 /nfs/dbraw/zinc/75/78/94/1098757894.db2.gz QZRVWRSZXZIJBA-UHFFFAOYSA-N 2 2 322.452 3.369 20 0 DGADLP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235025219 1098758286 /nfs/dbraw/zinc/75/82/86/1098758286.db2.gz XYDMZIQFHXYVNN-UHFFFAOYSA-N 2 2 322.452 3.369 20 0 DGADLP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235025219 1098758293 /nfs/dbraw/zinc/75/82/93/1098758293.db2.gz XYDMZIQFHXYVNN-UHFFFAOYSA-N 2 2 322.452 3.369 20 0 DGADLP c1cc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc(OCC2CCCCC2)c1 ZINC001235030975 1098759615 /nfs/dbraw/zinc/75/96/15/1098759615.db2.gz JTZLEIIRYCCSAN-AZUAARDMSA-N 2 2 314.473 3.439 20 0 DGADLP c1cc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc(OCC2CCCCC2)c1 ZINC001235030975 1098759625 /nfs/dbraw/zinc/75/96/25/1098759625.db2.gz JTZLEIIRYCCSAN-AZUAARDMSA-N 2 2 314.473 3.439 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1Cl ZINC001235093017 1098796889 /nfs/dbraw/zinc/79/68/89/1098796889.db2.gz YDPWUXDLXVDSKL-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1Cl ZINC001235093017 1098796896 /nfs/dbraw/zinc/79/68/96/1098796896.db2.gz YDPWUXDLXVDSKL-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235116056 1098815814 /nfs/dbraw/zinc/81/58/14/1098815814.db2.gz IJANNYXJWSXPNL-FQEVSTJZSA-N 2 2 316.489 3.329 20 0 DGADLP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235116056 1098815827 /nfs/dbraw/zinc/81/58/27/1098815827.db2.gz IJANNYXJWSXPNL-FQEVSTJZSA-N 2 2 316.489 3.329 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c2ccccc12 ZINC001235114525 1098816869 /nfs/dbraw/zinc/81/68/69/1098816869.db2.gz MFOWEXSHAPYORM-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c2ccccc12 ZINC001235114525 1098816881 /nfs/dbraw/zinc/81/68/81/1098816881.db2.gz MFOWEXSHAPYORM-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc(C[N@@H+]2CCOCC23CC[NH2+]CC3)c2ccccc12 ZINC001235128629 1098826928 /nfs/dbraw/zinc/82/69/28/1098826928.db2.gz JLUPJRUNPUWEQQ-UHFFFAOYSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc(C[N@H+]2CCOCC23CC[NH2+]CC3)c2ccccc12 ZINC001235128629 1098826941 /nfs/dbraw/zinc/82/69/41/1098826941.db2.gz JLUPJRUNPUWEQQ-UHFFFAOYSA-N 2 2 310.441 3.103 20 0 DGADLP CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166681 1098848723 /nfs/dbraw/zinc/84/87/23/1098848723.db2.gz VKJGUVUBJYRJER-ZIFCJYIRSA-N 2 2 306.494 3.077 20 0 DGADLP CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166681 1098848731 /nfs/dbraw/zinc/84/87/31/1098848731.db2.gz VKJGUVUBJYRJER-ZIFCJYIRSA-N 2 2 306.494 3.077 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235169099 1098851120 /nfs/dbraw/zinc/85/11/20/1098851120.db2.gz VTPMKDUJCPAQAB-FQEVSTJZSA-N 2 2 313.489 3.395 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235169099 1098851128 /nfs/dbraw/zinc/85/11/28/1098851128.db2.gz VTPMKDUJCPAQAB-FQEVSTJZSA-N 2 2 313.489 3.395 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235176948 1098856149 /nfs/dbraw/zinc/85/61/49/1098856149.db2.gz ZHBDRPUHNIRSGS-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235176948 1098856160 /nfs/dbraw/zinc/85/61/60/1098856160.db2.gz ZHBDRPUHNIRSGS-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP Clc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc2c1OCO2 ZINC001235188870 1098865048 /nfs/dbraw/zinc/86/50/48/1098865048.db2.gz APWMNYTWAZZICX-UHFFFAOYSA-N 2 2 322.836 3.177 20 0 DGADLP Clc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc2c1OCO2 ZINC001235188870 1098865056 /nfs/dbraw/zinc/86/50/56/1098865056.db2.gz APWMNYTWAZZICX-UHFFFAOYSA-N 2 2 322.836 3.177 20 0 DGADLP COc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235189338 1098865193 /nfs/dbraw/zinc/86/51/93/1098865193.db2.gz IFDQPSSWPOMOCQ-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235189338 1098865197 /nfs/dbraw/zinc/86/51/97/1098865197.db2.gz IFDQPSSWPOMOCQ-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC001235199303 1098875196 /nfs/dbraw/zinc/87/51/96/1098875196.db2.gz XTRXLIVRZVXDNZ-UKRRQHHQSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC001235199303 1098875207 /nfs/dbraw/zinc/87/52/07/1098875207.db2.gz XTRXLIVRZVXDNZ-UKRRQHHQSA-N 2 2 323.278 3.107 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206335284 1098877990 /nfs/dbraw/zinc/87/79/90/1098877990.db2.gz DPLFFNWVNRIXEW-WBVHZDCISA-N 2 2 302.478 3.107 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206335284 1098878002 /nfs/dbraw/zinc/87/80/02/1098878002.db2.gz DPLFFNWVNRIXEW-WBVHZDCISA-N 2 2 302.478 3.107 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235208917 1098878528 /nfs/dbraw/zinc/87/85/28/1098878528.db2.gz BBMPRSKWFRMGMN-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235208917 1098878542 /nfs/dbraw/zinc/87/85/42/1098878542.db2.gz BBMPRSKWFRMGMN-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc2c1 ZINC001235219006 1098890517 /nfs/dbraw/zinc/89/05/17/1098890517.db2.gz NXQBLGHUNKUBJC-QUCCMNQESA-N 2 2 309.457 3.090 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc2c1 ZINC001235219006 1098890532 /nfs/dbraw/zinc/89/05/32/1098890532.db2.gz NXQBLGHUNKUBJC-QUCCMNQESA-N 2 2 309.457 3.090 20 0 DGADLP CCc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001235264181 1098936137 /nfs/dbraw/zinc/93/61/37/1098936137.db2.gz LNEBWGIRPGXILV-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP CCc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001235264181 1098936145 /nfs/dbraw/zinc/93/61/45/1098936145.db2.gz LNEBWGIRPGXILV-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400143 1098995192 /nfs/dbraw/zinc/99/51/92/1098995192.db2.gz CJROJRAOGCTWJD-DOTOQJQBSA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400143 1098995201 /nfs/dbraw/zinc/99/52/01/1098995201.db2.gz CJROJRAOGCTWJD-DOTOQJQBSA-N 2 2 310.844 3.480 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1C1CC1 ZINC001235399165 1098995361 /nfs/dbraw/zinc/99/53/61/1098995361.db2.gz BNXOGGURRCGPOB-MSOLQXFVSA-N 2 2 306.400 3.227 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1C1CC1 ZINC001235399165 1098995368 /nfs/dbraw/zinc/99/53/68/1098995368.db2.gz BNXOGGURRCGPOB-MSOLQXFVSA-N 2 2 306.400 3.227 20 0 DGADLP Fc1ccc2occ(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)c2c1 ZINC001235409318 1099007429 /nfs/dbraw/zinc/00/74/29/1099007429.db2.gz WHUPYXJHNGIPAM-IAGOWNOFSA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occ(C[N@@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)c2c1 ZINC001235409318 1099007439 /nfs/dbraw/zinc/00/74/39/1099007439.db2.gz WHUPYXJHNGIPAM-IAGOWNOFSA-N 2 2 306.356 3.095 20 0 DGADLP CCCCCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179180288 1099026168 /nfs/dbraw/zinc/02/61/68/1099026168.db2.gz QMAHBHGTYUZEPC-UHFFFAOYSA-N 2 2 322.497 3.120 20 0 DGADLP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001179204960 1099037021 /nfs/dbraw/zinc/03/70/21/1099037021.db2.gz IKHVQLNICMLZRO-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP Cc1ccc(O[C@@H]2CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001235686750 1099128306 /nfs/dbraw/zinc/12/83/06/1099128306.db2.gz BSFRYYVWCYEFCQ-TZIWHRDSSA-N 2 2 324.468 3.408 20 0 DGADLP Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001235686750 1099128311 /nfs/dbraw/zinc/12/83/11/1099128311.db2.gz BSFRYYVWCYEFCQ-TZIWHRDSSA-N 2 2 324.468 3.408 20 0 DGADLP CCCCCOc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711947 1099139938 /nfs/dbraw/zinc/13/99/38/1099139938.db2.gz WFALFIGZTSUNJD-UHFFFAOYSA-N 2 2 302.462 3.441 20 0 DGADLP CCCCCOc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711947 1099139940 /nfs/dbraw/zinc/13/99/40/1099139940.db2.gz WFALFIGZTSUNJD-UHFFFAOYSA-N 2 2 302.462 3.441 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235710641 1099140136 /nfs/dbraw/zinc/14/01/36/1099140136.db2.gz CZRVUZMAVWNDGA-UHFFFAOYSA-N 2 2 316.392 3.484 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235710641 1099140142 /nfs/dbraw/zinc/14/01/42/1099140142.db2.gz CZRVUZMAVWNDGA-UHFFFAOYSA-N 2 2 316.392 3.484 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001235723960 1099146970 /nfs/dbraw/zinc/14/69/70/1099146970.db2.gz FUPFCLVNEYTBRI-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001235723960 1099146978 /nfs/dbraw/zinc/14/69/78/1099146978.db2.gz FUPFCLVNEYTBRI-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP COCCC[N@H+](Cc1ccc(Cl)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235805205 1099187940 /nfs/dbraw/zinc/18/79/40/1099187940.db2.gz HKTOZVYJZDYLFT-KRWDZBQOSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1ccc(Cl)cc1C)[C@H]1CCC[NH2+]C1 ZINC001235805205 1099187944 /nfs/dbraw/zinc/18/79/44/1099187944.db2.gz HKTOZVYJZDYLFT-KRWDZBQOSA-N 2 2 310.869 3.239 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001235841288 1099204165 /nfs/dbraw/zinc/20/41/65/1099204165.db2.gz DBNUUISCHOHRPQ-JTQLQIEISA-N 2 2 317.658 3.144 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001235841288 1099204169 /nfs/dbraw/zinc/20/41/69/1099204169.db2.gz DBNUUISCHOHRPQ-JTQLQIEISA-N 2 2 317.658 3.144 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235842609 1099206483 /nfs/dbraw/zinc/20/64/83/1099206483.db2.gz PSQLPOHOXKKBRN-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235842609 1099206491 /nfs/dbraw/zinc/20/64/91/1099206491.db2.gz PSQLPOHOXKKBRN-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1F ZINC001179830698 1099214223 /nfs/dbraw/zinc/21/42/23/1099214223.db2.gz VJQGJRWQLRXKIA-ZDUSSCGKSA-N 2 2 312.429 3.053 20 0 DGADLP Fc1cc(F)c(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC001235883389 1099232111 /nfs/dbraw/zinc/23/21/11/1099232111.db2.gz FOCNZOFWGINMDR-CQSZACIVSA-N 2 2 316.342 3.207 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc2c1 ZINC001235940308 1099274671 /nfs/dbraw/zinc/27/46/71/1099274671.db2.gz SDUSEABSLXVFGY-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2cc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc2c1 ZINC001235940308 1099274677 /nfs/dbraw/zinc/27/46/77/1099274677.db2.gz SDUSEABSLXVFGY-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001235946897 1099278226 /nfs/dbraw/zinc/27/82/26/1099278226.db2.gz BQRNNATXUJQMLG-UHFFFAOYSA-N 2 2 310.747 3.408 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001235946897 1099278232 /nfs/dbraw/zinc/27/82/32/1099278232.db2.gz BQRNNATXUJQMLG-UHFFFAOYSA-N 2 2 310.747 3.408 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1F ZINC001235956305 1099287662 /nfs/dbraw/zinc/28/76/62/1099287662.db2.gz CEGLUZYMWDUNAN-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1F ZINC001235956305 1099287667 /nfs/dbraw/zinc/28/76/67/1099287667.db2.gz CEGLUZYMWDUNAN-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1Oc1ccccc1)CC1C[NH2+]C1 ZINC001235961335 1099293782 /nfs/dbraw/zinc/29/37/82/1099293782.db2.gz ADILICFZFAKKRR-UHFFFAOYSA-N 2 2 300.377 3.269 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1Oc1ccccc1)CC1C[NH2+]C1 ZINC001235961335 1099293790 /nfs/dbraw/zinc/29/37/90/1099293790.db2.gz ADILICFZFAKKRR-UHFFFAOYSA-N 2 2 300.377 3.269 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985689 1099310693 /nfs/dbraw/zinc/31/06/93/1099310693.db2.gz CTLSAWZEMXIIPH-CTNGQTDRSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)ccc1OCc1ccccc1 ZINC001235985689 1099310702 /nfs/dbraw/zinc/31/07/02/1099310702.db2.gz CTLSAWZEMXIIPH-CTNGQTDRSA-N 2 2 322.452 3.497 20 0 DGADLP CCN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236007733 1099328146 /nfs/dbraw/zinc/32/81/46/1099328146.db2.gz AZCJWJCRZOLNIH-INIZCTEOSA-N 2 2 318.852 3.100 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045253 1099347526 /nfs/dbraw/zinc/34/75/26/1099347526.db2.gz BLSUHJBCZABYHN-DOTOQJQBSA-N 2 2 320.440 3.195 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045253 1099347538 /nfs/dbraw/zinc/34/75/38/1099347538.db2.gz BLSUHJBCZABYHN-DOTOQJQBSA-N 2 2 320.440 3.195 20 0 DGADLP C[N@H+](CCC(c1ccccc1)c1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC001236093163 1099383010 /nfs/dbraw/zinc/38/30/10/1099383010.db2.gz ROVVUVHYZAIEFX-FQEVSTJZSA-N 2 2 324.468 3.129 20 0 DGADLP C[N@@H+](CCC(c1ccccc1)c1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC001236093163 1099383023 /nfs/dbraw/zinc/38/30/23/1099383023.db2.gz ROVVUVHYZAIEFX-FQEVSTJZSA-N 2 2 324.468 3.129 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ncccc3C(F)(F)F)cc2)C1 ZINC001236167464 1099441706 /nfs/dbraw/zinc/44/17/06/1099441706.db2.gz AURXIEAEKYJVHT-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ncccc3C(F)(F)F)cc2)C1 ZINC001236167464 1099441709 /nfs/dbraw/zinc/44/17/09/1099441709.db2.gz AURXIEAEKYJVHT-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001236168445 1099442313 /nfs/dbraw/zinc/44/23/13/1099442313.db2.gz JLXNBSRJSATEGO-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001236168445 1099442322 /nfs/dbraw/zinc/44/23/22/1099442322.db2.gz JLXNBSRJSATEGO-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc(OC(F)(F)F)c1 ZINC001236204797 1099459935 /nfs/dbraw/zinc/45/99/35/1099459935.db2.gz CDLDROJBJKCLDY-OAHLLOKOSA-N 2 2 316.367 3.468 20 0 DGADLP Cc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc(OC(F)(F)F)c1 ZINC001236204797 1099459940 /nfs/dbraw/zinc/45/99/40/1099459940.db2.gz CDLDROJBJKCLDY-OAHLLOKOSA-N 2 2 316.367 3.468 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236208612 1099464181 /nfs/dbraw/zinc/46/41/81/1099464181.db2.gz UXOREJJXADYVCH-HXUWFJFHSA-N 2 2 311.473 3.480 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236208612 1099464192 /nfs/dbraw/zinc/46/41/92/1099464192.db2.gz UXOREJJXADYVCH-HXUWFJFHSA-N 2 2 311.473 3.480 20 0 DGADLP C[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209737 1099465665 /nfs/dbraw/zinc/46/56/65/1099465665.db2.gz NFTRMVNIYNQOEQ-IBGZPJMESA-N 2 2 313.420 3.462 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209737 1099465674 /nfs/dbraw/zinc/46/56/74/1099465674.db2.gz NFTRMVNIYNQOEQ-IBGZPJMESA-N 2 2 313.420 3.462 20 0 DGADLP C[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215814 1099472322 /nfs/dbraw/zinc/47/23/22/1099472322.db2.gz YFGDCIZBARVURW-KBPBESRZSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215814 1099472327 /nfs/dbraw/zinc/47/23/27/1099472327.db2.gz YFGDCIZBARVURW-KBPBESRZSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216371 1099472636 /nfs/dbraw/zinc/47/26/36/1099472636.db2.gz JUSVAMVUBZJOSL-ZWKOTPCHSA-N 2 2 305.441 3.128 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216371 1099472644 /nfs/dbraw/zinc/47/26/44/1099472644.db2.gz JUSVAMVUBZJOSL-ZWKOTPCHSA-N 2 2 305.441 3.128 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219443 1099477421 /nfs/dbraw/zinc/47/74/21/1099477421.db2.gz WHODJXXYWGWJLP-HZPDHXFCSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1OC(C)C ZINC001236219443 1099477431 /nfs/dbraw/zinc/47/74/31/1099477431.db2.gz WHODJXXYWGWJLP-HZPDHXFCSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219444 1099478159 /nfs/dbraw/zinc/47/81/59/1099478159.db2.gz WHODJXXYWGWJLP-JKSUJKDBSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1OC(C)C ZINC001236219444 1099478166 /nfs/dbraw/zinc/47/81/66/1099478166.db2.gz WHODJXXYWGWJLP-JKSUJKDBSA-N 2 2 306.450 3.184 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC001236219655 1099478277 /nfs/dbraw/zinc/47/82/77/1099478277.db2.gz XGCPZFFZXKLSTC-KBPBESRZSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC001236219655 1099478281 /nfs/dbraw/zinc/47/82/81/1099478281.db2.gz XGCPZFFZXKLSTC-KBPBESRZSA-N 2 2 316.367 3.416 20 0 DGADLP [NH3+]Cc1ccc(-c2cccc(Cl)c2C[NH+]2CCOCC2)cc1 ZINC001236268461 1099510706 /nfs/dbraw/zinc/51/07/06/1099510706.db2.gz SKDBUHVCXBHGOG-UHFFFAOYSA-N 2 2 316.832 3.298 20 0 DGADLP CCC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236322725 1099535359 /nfs/dbraw/zinc/53/53/59/1099535359.db2.gz ASGNMSPLAPCKQU-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP CCC[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236322725 1099535374 /nfs/dbraw/zinc/53/53/74/1099535374.db2.gz ASGNMSPLAPCKQU-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@H]1CC[NH2+]C1 ZINC001236323126 1099535999 /nfs/dbraw/zinc/53/59/99/1099535999.db2.gz FFLFHTNJFSCYQM-AWEZNQCLSA-N 2 2 316.367 3.468 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@H]1CC[NH2+]C1 ZINC001236323126 1099536012 /nfs/dbraw/zinc/53/60/12/1099536012.db2.gz FFLFHTNJFSCYQM-AWEZNQCLSA-N 2 2 316.367 3.468 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@H]1CC[NH2+]C1 ZINC001236328324 1099541370 /nfs/dbraw/zinc/54/13/70/1099541370.db2.gz PDZMMELJVYHMCT-KRWDZBQOSA-N 2 2 313.420 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@H]1CC[NH2+]C1 ZINC001236328324 1099541382 /nfs/dbraw/zinc/54/13/82/1099541382.db2.gz PDZMMELJVYHMCT-KRWDZBQOSA-N 2 2 313.420 3.462 20 0 DGADLP COCC[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC001236330776 1099541990 /nfs/dbraw/zinc/54/19/90/1099541990.db2.gz UTZWJWDZIAFGBU-SZMVWBNQSA-N 2 2 322.880 3.144 20 0 DGADLP COCC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC001236330776 1099541996 /nfs/dbraw/zinc/54/19/96/1099541996.db2.gz UTZWJWDZIAFGBU-SZMVWBNQSA-N 2 2 322.880 3.144 20 0 DGADLP Fc1cccc(C[N@H+](CC2OC=CC2=S)C2CC[NH2+]CC2)c1 ZINC001236407500 1099582452 /nfs/dbraw/zinc/58/24/52/1099582452.db2.gz DPJQRSKRFVKIFI-UHFFFAOYSA-N 2 2 320.433 3.462 20 0 DGADLP Fc1cccc(C[N@@H+](CC2OC=CC2=S)C2CC[NH2+]CC2)c1 ZINC001236407500 1099582460 /nfs/dbraw/zinc/58/24/60/1099582460.db2.gz DPJQRSKRFVKIFI-UHFFFAOYSA-N 2 2 320.433 3.462 20 0 DGADLP COc1cccc([C@H]2CC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236411550 1099586149 /nfs/dbraw/zinc/58/61/49/1099586149.db2.gz NKRXQSRXKVQXPU-RBUKOAKNSA-N 2 2 310.441 3.055 20 0 DGADLP COc1cccc([C@H]2CC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)c1 ZINC001236411550 1099586160 /nfs/dbraw/zinc/58/61/60/1099586160.db2.gz NKRXQSRXKVQXPU-RBUKOAKNSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)c2c1 ZINC001236419204 1099594191 /nfs/dbraw/zinc/59/41/91/1099594191.db2.gz KZAZGYFKWQVHLA-SCLBCKFNSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)c2c1 ZINC001236419204 1099594198 /nfs/dbraw/zinc/59/41/98/1099594198.db2.gz KZAZGYFKWQVHLA-SCLBCKFNSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@](F)(C[NH3+])C3)c2)cc1 ZINC001236435716 1099611982 /nfs/dbraw/zinc/61/19/82/1099611982.db2.gz UZGYESWYROFHIP-IBGZPJMESA-N 2 2 314.404 3.235 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@](F)(C[NH3+])C3)c2)cc1 ZINC001236435716 1099611989 /nfs/dbraw/zinc/61/19/89/1099611989.db2.gz UZGYESWYROFHIP-IBGZPJMESA-N 2 2 314.404 3.235 20 0 DGADLP COc1ncc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001236471217 1099631620 /nfs/dbraw/zinc/63/16/20/1099631620.db2.gz XVBQZPIKQIRXIO-MRXNPFEDSA-N 2 2 313.445 3.206 20 0 DGADLP COc1ncc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001236471217 1099631622 /nfs/dbraw/zinc/63/16/22/1099631622.db2.gz XVBQZPIKQIRXIO-MRXNPFEDSA-N 2 2 313.445 3.206 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236530041 1099664952 /nfs/dbraw/zinc/66/49/52/1099664952.db2.gz OLBJPOAIIZEFEO-OAHLLOKOSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236530041 1099664958 /nfs/dbraw/zinc/66/49/58/1099664958.db2.gz OLBJPOAIIZEFEO-OAHLLOKOSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(OC(C)C)ncc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001236582325 1099688336 /nfs/dbraw/zinc/68/83/36/1099688336.db2.gz ZURGLSOUVMLXCE-UHFFFAOYSA-N 2 2 322.412 3.179 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236604230 1099699083 /nfs/dbraw/zinc/69/90/83/1099699083.db2.gz JVRUHNZOKVSLBD-ZDUSSCGKSA-N 2 2 322.758 3.409 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236604230 1099699086 /nfs/dbraw/zinc/69/90/86/1099699086.db2.gz JVRUHNZOKVSLBD-ZDUSSCGKSA-N 2 2 322.758 3.409 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc2c1OCCC2 ZINC001236620027 1099709310 /nfs/dbraw/zinc/70/93/10/1099709310.db2.gz BEWNBJXEULFPGN-UHFFFAOYSA-N 2 2 308.441 3.314 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc2c1OCCC2 ZINC001236620027 1099709318 /nfs/dbraw/zinc/70/93/18/1099709318.db2.gz BEWNBJXEULFPGN-UHFFFAOYSA-N 2 2 308.441 3.314 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)c(O)c1 ZINC001236710239 1099752669 /nfs/dbraw/zinc/75/26/69/1099752669.db2.gz LZIYUKZAYMGCRL-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)c(O)c1 ZINC001236710239 1099752674 /nfs/dbraw/zinc/75/26/74/1099752674.db2.gz LZIYUKZAYMGCRL-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cncc(OCC)c2)CC1 ZINC001236843474 1099828453 /nfs/dbraw/zinc/82/84/53/1099828453.db2.gz OLQPLVSTOQBBFR-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cncc(OCC)c2)CC1 ZINC001236843474 1099828463 /nfs/dbraw/zinc/82/84/63/1099828463.db2.gz OLQPLVSTOQBBFR-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP CCC[N@@H+](Cc1cc(F)c(F)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236845146 1099832970 /nfs/dbraw/zinc/83/29/70/1099832970.db2.gz ZFFJVBFCARTPQO-JTQLQIEISA-N 2 2 304.331 3.065 20 0 DGADLP CCC[N@@H+](Cc1c(F)cc(Cl)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236845160 1099832849 /nfs/dbraw/zinc/83/28/49/1099832849.db2.gz ZFOCXGPEWHISJB-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP CCC[N@H+](Cc1c(F)cc(Cl)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236845160 1099832856 /nfs/dbraw/zinc/83/28/56/1099832856.db2.gz ZFOCXGPEWHISJB-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP CCC[N@H+](Cc1cc(F)c(F)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236845146 1099832981 /nfs/dbraw/zinc/83/29/81/1099832981.db2.gz ZFFJVBFCARTPQO-JTQLQIEISA-N 2 2 304.331 3.065 20 0 DGADLP C[NH+](C)C1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236903455 1099865572 /nfs/dbraw/zinc/86/55/72/1099865572.db2.gz ONSPEGUYUUEFAH-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP C[N@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001236902830 1099866140 /nfs/dbraw/zinc/86/61/40/1099866140.db2.gz JJTPWODEPIFTGF-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP C[N@@H+](Cc1ccc(-n2ccnc2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001236902830 1099866162 /nfs/dbraw/zinc/86/61/62/1099866162.db2.gz JJTPWODEPIFTGF-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1O ZINC001236902853 1099866372 /nfs/dbraw/zinc/86/63/72/1099866372.db2.gz JOHNAQASBNIODF-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1O ZINC001236902853 1099866383 /nfs/dbraw/zinc/86/63/83/1099866383.db2.gz JOHNAQASBNIODF-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@@]23CCOC3)ccc1-n1cc[nH+]c1 ZINC001236907327 1099867432 /nfs/dbraw/zinc/86/74/32/1099867432.db2.gz BSVRZGDMYYQRKX-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@@]23CCOC3)ccc1-n1cc[nH+]c1 ZINC001236907327 1099867438 /nfs/dbraw/zinc/86/74/38/1099867438.db2.gz BSVRZGDMYYQRKX-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1CO ZINC001236912583 1099875044 /nfs/dbraw/zinc/87/50/44/1099875044.db2.gz AETWWEWIFKPUIQ-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1CO ZINC001236912583 1099875051 /nfs/dbraw/zinc/87/50/51/1099875051.db2.gz AETWWEWIFKPUIQ-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001236916042 1099877880 /nfs/dbraw/zinc/87/78/80/1099877880.db2.gz IPRQNRKDGRBDQD-UHFFFAOYSA-N 2 2 317.820 3.138 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC2(COC2)C1 ZINC001236916042 1099877884 /nfs/dbraw/zinc/87/78/84/1099877884.db2.gz IPRQNRKDGRBDQD-UHFFFAOYSA-N 2 2 317.820 3.138 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083903 1099961568 /nfs/dbraw/zinc/96/15/68/1099961568.db2.gz ZYZLEYOWITXZJJ-ZDUSSCGKSA-N 2 2 317.296 3.380 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083903 1099961559 /nfs/dbraw/zinc/96/15/59/1099961559.db2.gz ZYZLEYOWITXZJJ-ZDUSSCGKSA-N 2 2 317.296 3.380 20 0 DGADLP Fc1cc2c(cc1F)C[N@H+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001237192540 1100024449 /nfs/dbraw/zinc/02/44/49/1100024449.db2.gz WNYLNAOCTODFPP-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP Fc1cc2c(cc1F)C[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001237192540 1100024453 /nfs/dbraw/zinc/02/44/53/1100024453.db2.gz WNYLNAOCTODFPP-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4nccc(Cl)c4c3)C[C@@H]2C1 ZINC001237275226 1100054366 /nfs/dbraw/zinc/05/43/66/1100054366.db2.gz PLCMUFOPKZADTK-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4nccc(Cl)c4c3)C[C@@H]2C1 ZINC001237275226 1100054375 /nfs/dbraw/zinc/05/43/75/1100054375.db2.gz PLCMUFOPKZADTK-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4nccc(Cl)c4c3)C[C@@H]2C1 ZINC001237275226 1100054385 /nfs/dbraw/zinc/05/43/85/1100054385.db2.gz PLCMUFOPKZADTK-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4nccc(Cl)c4c3)C[C@@H]2C1 ZINC001237275226 1100054392 /nfs/dbraw/zinc/05/43/92/1100054392.db2.gz PLCMUFOPKZADTK-GASCZTMLSA-N 2 2 315.848 3.272 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273588 1100054806 /nfs/dbraw/zinc/05/48/06/1100054806.db2.gz UHBVXXUEKBZJLA-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273588 1100054815 /nfs/dbraw/zinc/05/48/15/1100054815.db2.gz UHBVXXUEKBZJLA-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273588 1100054825 /nfs/dbraw/zinc/05/48/25/1100054825.db2.gz UHBVXXUEKBZJLA-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4nccc(Cl)c4c3)C2)C1 ZINC001237273588 1100054833 /nfs/dbraw/zinc/05/48/33/1100054833.db2.gz UHBVXXUEKBZJLA-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP Cc1ccc(O)cc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237300423 1100069561 /nfs/dbraw/zinc/06/95/61/1100069561.db2.gz LIZRECHPHQAJJX-UHFFFAOYSA-N 2 2 322.452 3.338 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001237372447 1100099846 /nfs/dbraw/zinc/09/98/46/1100099846.db2.gz XOSJWNYXEZCBAH-IRXDYDNUSA-N 2 2 311.429 3.115 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237389915 1100105574 /nfs/dbraw/zinc/10/55/74/1100105574.db2.gz HMFLOZACUVCNAA-DOTOQJQBSA-N 2 2 313.470 3.384 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237389915 1100105579 /nfs/dbraw/zinc/10/55/79/1100105579.db2.gz HMFLOZACUVCNAA-DOTOQJQBSA-N 2 2 313.470 3.384 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237412668 1100117489 /nfs/dbraw/zinc/11/74/89/1100117489.db2.gz HEDKATRTGYMFSN-HOCLYGCPSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237412668 1100117491 /nfs/dbraw/zinc/11/74/91/1100117491.db2.gz HEDKATRTGYMFSN-HOCLYGCPSA-N 2 2 323.278 3.331 20 0 DGADLP CCc1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001237828279 1100259975 /nfs/dbraw/zinc/25/99/75/1100259975.db2.gz FDZDXFZAKVRHON-CYBMUJFWSA-N 2 2 303.431 3.062 20 0 DGADLP CCc1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001237828279 1100259981 /nfs/dbraw/zinc/25/99/81/1100259981.db2.gz FDZDXFZAKVRHON-CYBMUJFWSA-N 2 2 303.431 3.062 20 0 DGADLP FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103041 1100361230 /nfs/dbraw/zinc/36/12/30/1100361230.db2.gz IYRHBITUTJKHFT-ZDUSSCGKSA-N 2 2 301.287 3.058 20 0 DGADLP FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238103041 1100361236 /nfs/dbraw/zinc/36/12/36/1100361236.db2.gz IYRHBITUTJKHFT-ZDUSSCGKSA-N 2 2 301.287 3.058 20 0 DGADLP CCOc1ccc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001238706117 1100507556 /nfs/dbraw/zinc/50/75/56/1100507556.db2.gz VKTHKQWYTNBFEY-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205601665 1100625147 /nfs/dbraw/zinc/62/51/47/1100625147.db2.gz FYWBIEXWOSKIBD-BDAKNGLRSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205601665 1100625150 /nfs/dbraw/zinc/62/51/50/1100625150.db2.gz FYWBIEXWOSKIBD-BDAKNGLRSA-N 2 2 322.321 3.189 20 0 DGADLP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c2ccccc21 ZINC001239541977 1100685975 /nfs/dbraw/zinc/68/59/75/1100685975.db2.gz RRELTMMQLNUBCV-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c2ccccc21 ZINC001239541977 1100685977 /nfs/dbraw/zinc/68/59/77/1100685977.db2.gz RRELTMMQLNUBCV-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cnc4ccccc4c3)ccn12 ZINC001239792592 1100756944 /nfs/dbraw/zinc/75/69/44/1100756944.db2.gz FAVUKCBKVWNBDN-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP Cn1ccc2cc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)ccc21 ZINC001239942238 1100806454 /nfs/dbraw/zinc/80/64/54/1100806454.db2.gz HPNLWCUNFRSAHN-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2cc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)ccc21 ZINC001239942238 1100806456 /nfs/dbraw/zinc/80/64/56/1100806456.db2.gz HPNLWCUNFRSAHN-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP c1cn2cc(-c3ccc([C@@]45CC[NH2+][C@@H]4COCC5)cc3)ccc2[nH+]1 ZINC001240217645 1100898069 /nfs/dbraw/zinc/89/80/69/1100898069.db2.gz KYBSDQVAVCBRMF-QUCCMNQESA-N 2 2 319.408 3.021 20 0 DGADLP Cc1cn2cc(-c3cccc(CC[NH+]4CCOCC4)c3)ccc2[nH+]1 ZINC001240271183 1100918222 /nfs/dbraw/zinc/91/82/22/1100918222.db2.gz YUHDCAJVZRJJOO-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(C(F)(F)F)nc3)c2)C1 ZINC001240272635 1100918833 /nfs/dbraw/zinc/91/88/33/1100918833.db2.gz VDZRMWNVPHCTCA-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C(F)(F)F)nc3)c2)C1 ZINC001240272635 1100918836 /nfs/dbraw/zinc/91/88/36/1100918836.db2.gz VDZRMWNVPHCTCA-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4ncsc4c3)c2)C1 ZINC001240345815 1100950627 /nfs/dbraw/zinc/95/06/27/1100950627.db2.gz UGRSSQQRFNGJSH-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4ncsc4c3)c2)C1 ZINC001240345815 1100950634 /nfs/dbraw/zinc/95/06/34/1100950634.db2.gz UGRSSQQRFNGJSH-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(-c4cc[nH]n4)c3)c2)C1 ZINC001240563944 1101050661 /nfs/dbraw/zinc/05/06/61/1101050661.db2.gz PLADTUULLWAYMQ-IBGZPJMESA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(-c4cc[nH]n4)c3)c2)C1 ZINC001240563944 1101050670 /nfs/dbraw/zinc/05/06/70/1101050670.db2.gz PLADTUULLWAYMQ-IBGZPJMESA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cncc(C(F)(F)F)c2)C1 ZINC001240793548 1101140668 /nfs/dbraw/zinc/14/06/68/1101140668.db2.gz KVSQIOOESLINIF-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cncc(C(F)(F)F)c2)C1 ZINC001240793548 1101140673 /nfs/dbraw/zinc/14/06/73/1101140673.db2.gz KVSQIOOESLINIF-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP Cc1cn2c(cccc2-c2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001240851735 1101157342 /nfs/dbraw/zinc/15/73/42/1101157342.db2.gz VMBDSNROKSJGAV-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4cccnc43)cc2)C1 ZINC001240896281 1101172560 /nfs/dbraw/zinc/17/25/60/1101172560.db2.gz UCBHMRCDGYUNCU-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4cccnc43)cc2)C1 ZINC001240896281 1101172563 /nfs/dbraw/zinc/17/25/63/1101172563.db2.gz UCBHMRCDGYUNCU-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP CCOc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241027810 1101226287 /nfs/dbraw/zinc/22/62/87/1101226287.db2.gz KCAILPMSXUPOBZ-GOSISDBHSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241027810 1101226294 /nfs/dbraw/zinc/22/62/94/1101226294.db2.gz KCAILPMSXUPOBZ-GOSISDBHSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(F)cc(F)c3F)cc2)C1 ZINC001241094311 1101251331 /nfs/dbraw/zinc/25/13/31/1101251331.db2.gz GHFRBQICYUFSIT-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(F)cc(F)c3F)cc2)C1 ZINC001241094311 1101251339 /nfs/dbraw/zinc/25/13/39/1101251339.db2.gz GHFRBQICYUFSIT-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205761058 1101256494 /nfs/dbraw/zinc/25/64/94/1101256494.db2.gz FXCGWFPSLKSPEQ-HNNXBMFYSA-N 2 2 312.404 3.281 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205761058 1101256499 /nfs/dbraw/zinc/25/64/99/1101256499.db2.gz FXCGWFPSLKSPEQ-HNNXBMFYSA-N 2 2 312.404 3.281 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(F)cc(F)cc3F)cc2)C1 ZINC001241172601 1101284822 /nfs/dbraw/zinc/28/48/22/1101284822.db2.gz OGLSVKZPGWYIMN-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(F)cc(F)cc3F)cc2)C1 ZINC001241172601 1101284826 /nfs/dbraw/zinc/28/48/26/1101284826.db2.gz OGLSVKZPGWYIMN-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP CCCOc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241591041 1101567148 /nfs/dbraw/zinc/56/71/48/1101567148.db2.gz CWBCKOQQCVPODJ-UHFFFAOYSA-N 2 2 307.397 3.477 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4ccncc4c3)cc2)C1 ZINC001241677944 1101627901 /nfs/dbraw/zinc/62/79/01/1101627901.db2.gz XHFTVTZDJNPRRE-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4ccncc4c3)cc2)C1 ZINC001241677944 1101627905 /nfs/dbraw/zinc/62/79/05/1101627905.db2.gz XHFTVTZDJNPRRE-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4c(c3)CCCN4)c2)C1 ZINC001241836731 1101739059 /nfs/dbraw/zinc/73/90/59/1101739059.db2.gz FQJQREROPUZBFA-LJQANCHMSA-N 2 2 307.441 3.245 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(c3)CCCN4)c2)C1 ZINC001241836731 1101739067 /nfs/dbraw/zinc/73/90/67/1101739067.db2.gz FQJQREROPUZBFA-LJQANCHMSA-N 2 2 307.441 3.245 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829715 1101783448 /nfs/dbraw/zinc/78/34/48/1101783448.db2.gz PMGFTHVETOAWHV-BXUZGUMPSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829715 1101783459 /nfs/dbraw/zinc/78/34/59/1101783459.db2.gz PMGFTHVETOAWHV-BXUZGUMPSA-N 2 2 316.367 3.453 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(c2)OCCCO3)C1 ZINC001242208122 1101978441 /nfs/dbraw/zinc/97/84/41/1101978441.db2.gz SFLRYVOAHSRFIJ-QGZVFWFLSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(c2)OCCCO3)C1 ZINC001242208122 1101978453 /nfs/dbraw/zinc/97/84/53/1101978453.db2.gz SFLRYVOAHSRFIJ-QGZVFWFLSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4cccnc4c3)c2)C1 ZINC001242253481 1102009758 /nfs/dbraw/zinc/00/97/58/1102009758.db2.gz SVXXIQFNLZJQGL-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4cccnc4c3)c2)C1 ZINC001242253481 1102009771 /nfs/dbraw/zinc/00/97/71/1102009771.db2.gz SVXXIQFNLZJQGL-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)F)cc3)c2)C1 ZINC001242442166 1102136786 /nfs/dbraw/zinc/13/67/86/1102136786.db2.gz ZHMOKYBUWUQILJ-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)F)cc3)c2)C1 ZINC001242442166 1102136791 /nfs/dbraw/zinc/13/67/91/1102136791.db2.gz ZHMOKYBUWUQILJ-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cnc4sccc4c3)c2)C1 ZINC001242680264 1102283318 /nfs/dbraw/zinc/28/33/18/1102283318.db2.gz PGKUBHQMYQPQKP-QGZVFWFLSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cnc4sccc4c3)c2)C1 ZINC001242680264 1102283330 /nfs/dbraw/zinc/28/33/30/1102283330.db2.gz PGKUBHQMYQPQKP-QGZVFWFLSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(O)c3Cl)cc2)C1 ZINC001242802297 1102351744 /nfs/dbraw/zinc/35/17/44/1102351744.db2.gz VVJJFJHMTMGBMK-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(O)c3Cl)cc2)C1 ZINC001242802297 1102351754 /nfs/dbraw/zinc/35/17/54/1102351754.db2.gz VVJJFJHMTMGBMK-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902046 1102396005 /nfs/dbraw/zinc/39/60/05/1102396005.db2.gz HBFKAPHZBPXZEC-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902046 1102396018 /nfs/dbraw/zinc/39/60/18/1102396018.db2.gz HBFKAPHZBPXZEC-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[NH2+]Cc1ccccc1-c1cc(F)ccc1C[NH+]1CCOCC1 ZINC001243102657 1102526729 /nfs/dbraw/zinc/52/67/29/1102526729.db2.gz IZBSAACDDQAJGW-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP CSc1ncc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1C ZINC001243159345 1102562111 /nfs/dbraw/zinc/56/21/11/1102562111.db2.gz YLYZHSWWACHBQC-QGZVFWFLSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1C ZINC001243159345 1102562115 /nfs/dbraw/zinc/56/21/15/1102562115.db2.gz YLYZHSWWACHBQC-QGZVFWFLSA-N 2 2 313.470 3.312 20 0 DGADLP c1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001201661881 1102690030 /nfs/dbraw/zinc/69/00/30/1102690030.db2.gz VENUHXOCZZIXCO-PMACEKPBSA-N 2 2 321.468 3.078 20 0 DGADLP Nc1ccc(Cl)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001243486400 1102751068 /nfs/dbraw/zinc/75/10/68/1102751068.db2.gz ILUNMCCMHACZRF-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(Cl)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001243486400 1102751077 /nfs/dbraw/zinc/75/10/77/1102751077.db2.gz ILUNMCCMHACZRF-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP CSc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(C)n1 ZINC001243594079 1102836559 /nfs/dbraw/zinc/83/65/59/1102836559.db2.gz SIVOPCFMCFDVSE-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(C)n1 ZINC001243594079 1102836574 /nfs/dbraw/zinc/83/65/74/1102836574.db2.gz SIVOPCFMCFDVSE-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP Clc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c2c[nH]nc21 ZINC001243779378 1102973796 /nfs/dbraw/zinc/97/37/96/1102973796.db2.gz CXULSBLRTHTUHS-UHFFFAOYSA-N 2 2 323.787 3.218 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)sc2C1 ZINC001325624853 1103084371 /nfs/dbraw/zinc/08/43/71/1103084371.db2.gz GIZXPAQJMUPVDK-STQMWFEESA-N 2 2 305.491 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(O)cccc3Cl)cc2)C1 ZINC001244047948 1103165838 /nfs/dbraw/zinc/16/58/38/1103165838.db2.gz NDGKPUYPFVQHIB-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(O)cccc3Cl)cc2)C1 ZINC001244047948 1103165844 /nfs/dbraw/zinc/16/58/44/1103165844.db2.gz NDGKPUYPFVQHIB-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001244143951 1103234062 /nfs/dbraw/zinc/23/40/62/1103234062.db2.gz IPTZUXZLQCLXCQ-SFHVURJKSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001244143951 1103234071 /nfs/dbraw/zinc/23/40/71/1103234071.db2.gz IPTZUXZLQCLXCQ-SFHVURJKSA-N 2 2 307.441 3.467 20 0 DGADLP COCc1ccc(C)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001244174496 1103254911 /nfs/dbraw/zinc/25/49/11/1103254911.db2.gz ZRSWCKIOAVFNLU-UHFFFAOYSA-N 2 2 307.397 3.143 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4cc[nH]c(=O)c4c3)cc2)C1 ZINC001244311889 1103350315 /nfs/dbraw/zinc/35/03/15/1103350315.db2.gz DPLCNBWDMIJFGR-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4cc[nH]c(=O)c4c3)cc2)C1 ZINC001244311889 1103350329 /nfs/dbraw/zinc/35/03/29/1103350329.db2.gz DPLCNBWDMIJFGR-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3O)cc2)C1 ZINC001244471971 1103464303 /nfs/dbraw/zinc/46/43/03/1103464303.db2.gz IKAGVIAKPRSLGG-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3O)cc2)C1 ZINC001244471971 1103464307 /nfs/dbraw/zinc/46/43/07/1103464307.db2.gz IKAGVIAKPRSLGG-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H](CC1CCCCC1)c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326979118 1103492763 /nfs/dbraw/zinc/49/27/63/1103492763.db2.gz SMPURWNZFDDGHQ-GJZGRUSLSA-N 2 2 300.406 3.088 20 0 DGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc(O)c1F ZINC001244525269 1103496840 /nfs/dbraw/zinc/49/68/40/1103496840.db2.gz NQZHCZOYVNVCRW-INIZCTEOSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc(O)c1F ZINC001244525269 1103496844 /nfs/dbraw/zinc/49/68/44/1103496844.db2.gz NQZHCZOYVNVCRW-INIZCTEOSA-N 2 2 300.377 3.040 20 0 DGADLP C[N@@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(F)c3F)CC2)C1 ZINC001276368778 1103662110 /nfs/dbraw/zinc/66/21/10/1103662110.db2.gz ODMHANFPOSKPCZ-UHFFFAOYSA-N 2 2 312.379 3.412 20 0 DGADLP C[N@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(F)c3F)CC2)C1 ZINC001276368778 1103662122 /nfs/dbraw/zinc/66/21/22/1103662122.db2.gz ODMHANFPOSKPCZ-UHFFFAOYSA-N 2 2 312.379 3.412 20 0 DGADLP CSc1ncc(C)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244884949 1103741506 /nfs/dbraw/zinc/74/15/06/1103741506.db2.gz MAHPAJPETQIRAJ-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(C)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244884949 1103741519 /nfs/dbraw/zinc/74/15/19/1103741519.db2.gz MAHPAJPETQIRAJ-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP CCCCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001327881892 1103753243 /nfs/dbraw/zinc/75/32/43/1103753243.db2.gz ACXAUMWWOJAULH-PBHICJAKSA-N 2 2 317.477 3.247 20 0 DGADLP CC(C)n1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001137082962 1103964841 /nfs/dbraw/zinc/96/48/41/1103964841.db2.gz VBRIKIVXZCUSTB-UHFFFAOYSA-N 2 2 304.482 3.303 20 0 DGADLP CC(C)n1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001137082962 1103964852 /nfs/dbraw/zinc/96/48/52/1103964852.db2.gz VBRIKIVXZCUSTB-UHFFFAOYSA-N 2 2 304.482 3.303 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC(C)C)C[C@@H]2C1 ZINC001137140719 1104007679 /nfs/dbraw/zinc/00/76/79/1104007679.db2.gz NJMMAOAILNDFEF-HDICACEKSA-N 2 2 302.462 3.247 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC(C)C)C[C@@H]2C1 ZINC001137140719 1104007689 /nfs/dbraw/zinc/00/76/89/1104007689.db2.gz NJMMAOAILNDFEF-HDICACEKSA-N 2 2 302.462 3.247 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3OC(C)C)C[C@@H]2C1 ZINC001137140719 1104007701 /nfs/dbraw/zinc/00/77/01/1104007701.db2.gz NJMMAOAILNDFEF-HDICACEKSA-N 2 2 302.462 3.247 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3OC(C)C)C[C@@H]2C1 ZINC001137140719 1104007712 /nfs/dbraw/zinc/00/77/12/1104007712.db2.gz NJMMAOAILNDFEF-HDICACEKSA-N 2 2 302.462 3.247 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001245425423 1104045568 /nfs/dbraw/zinc/04/55/68/1104045568.db2.gz GFORWQMOQJHLLT-IBGZPJMESA-N 2 2 323.440 3.355 20 0 DGADLP CC(C)[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](C)CC1 ZINC001137190031 1104049563 /nfs/dbraw/zinc/04/95/63/1104049563.db2.gz TXBCEEPWLMYUMF-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP CC(C)[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](C)CC1 ZINC001137190031 1104049575 /nfs/dbraw/zinc/04/95/75/1104049575.db2.gz TXBCEEPWLMYUMF-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202599082 1104071498 /nfs/dbraw/zinc/07/14/98/1104071498.db2.gz ZWBYPWSXJGMNEP-UHFFFAOYSA-N 2 2 320.452 3.149 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202599082 1104071508 /nfs/dbraw/zinc/07/15/08/1104071508.db2.gz ZWBYPWSXJGMNEP-UHFFFAOYSA-N 2 2 320.452 3.149 20 0 DGADLP COc1cc2[nH+]ccn2cc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245527172 1104105725 /nfs/dbraw/zinc/10/57/25/1104105725.db2.gz TZPQEBOHSZADNM-UHFFFAOYSA-N 2 2 307.397 3.477 20 0 DGADLP Cc1cc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001245545275 1104115703 /nfs/dbraw/zinc/11/57/03/1104115703.db2.gz QFXYHYPUEWDLPP-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1cc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001245545275 1104115705 /nfs/dbraw/zinc/11/57/05/1104115705.db2.gz QFXYHYPUEWDLPP-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP CC[N@H+](Cc1cc2ccccc2nc1OC)C1CC[NH+](C)CC1 ZINC001137205619 1104126364 /nfs/dbraw/zinc/12/63/64/1104126364.db2.gz JKIYAQXOOYHUMQ-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[N@@H+](Cc1cc2ccccc2nc1OC)C1CC[NH+](C)CC1 ZINC001137205619 1104126370 /nfs/dbraw/zinc/12/63/70/1104126370.db2.gz JKIYAQXOOYHUMQ-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP COc1cc(C)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)c1 ZINC001245680244 1104191922 /nfs/dbraw/zinc/19/19/22/1104191922.db2.gz PVZOFVCPVNZYLX-UHFFFAOYSA-N 2 2 307.397 3.314 20 0 DGADLP Cc1c(F)ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001245693341 1104196680 /nfs/dbraw/zinc/19/66/80/1104196680.db2.gz SMFWVPRVHGCVFT-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001245693341 1104196685 /nfs/dbraw/zinc/19/66/85/1104196685.db2.gz SMFWVPRVHGCVFT-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246077449 1104371473 /nfs/dbraw/zinc/37/14/73/1104371473.db2.gz SERZKUJUVRPUHK-RYUDHWBXSA-N 2 2 315.230 3.208 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC[NH2+]1 ZINC001246077872 1104371516 /nfs/dbraw/zinc/37/15/16/1104371516.db2.gz XFOIJFJAGMMHHK-CHWSQXEVSA-N 2 2 320.330 3.345 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246077690 1104372835 /nfs/dbraw/zinc/37/28/35/1104372835.db2.gz UBJDRCWIRQWRKM-MAUKXSAKSA-N 2 2 302.368 3.112 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246090545 1104380867 /nfs/dbraw/zinc/38/08/67/1104380867.db2.gz BBHVBXSWVPHVCF-ICCXJUOJSA-N 2 2 305.224 3.214 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246095643 1104381972 /nfs/dbraw/zinc/38/19/72/1104381972.db2.gz JNHORPFXVKDYOB-AVGNSLFASA-N 2 2 317.235 3.140 20 0 DGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246104618 1104388340 /nfs/dbraw/zinc/38/83/40/1104388340.db2.gz BKWQREVOCXXKLK-AGIUHOORSA-N 2 2 317.235 3.140 20 0 DGADLP Clc1ccc(C2CCC([NH2+][C@H]3CCOC34C[NH2+]C4)CC2)cc1 ZINC001246125033 1104398350 /nfs/dbraw/zinc/39/83/50/1104398350.db2.gz IPHWJNRFSVGESJ-PREGVCBESA-N 2 2 320.864 3.087 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2F)CC[NH2+]1 ZINC001246158548 1104410197 /nfs/dbraw/zinc/41/01/97/1104410197.db2.gz LVCAHIPGSZWDAK-TZMCWYRMSA-N 2 2 300.368 3.360 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246187400 1104427545 /nfs/dbraw/zinc/42/75/45/1104427545.db2.gz ZPBFZOWANWFEEU-WFASDCNBSA-N 2 2 318.358 3.318 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2c(OC)cccc2OC)CC[NH2+]1 ZINC001246195783 1104433626 /nfs/dbraw/zinc/43/36/26/1104433626.db2.gz PPDXPTCWZHTZRT-HUUCEWRRSA-N 2 2 306.450 3.104 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c(OC)cccc2OC)C[C@H](CC)[NH2+]1 ZINC001246197031 1104434071 /nfs/dbraw/zinc/43/40/71/1104434071.db2.gz XQLGHJPQANXADJ-QDMKHBRRSA-N 2 2 306.450 3.103 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC001246201933 1104435655 /nfs/dbraw/zinc/43/56/55/1104435655.db2.gz YWLGTZOSMFSOOA-ZFWWWQNUSA-N 2 2 311.267 3.315 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC001246201931 1104435724 /nfs/dbraw/zinc/43/57/24/1104435724.db2.gz YWLGTZOSMFSOOA-HIFRSBDPSA-N 2 2 311.267 3.315 20 0 DGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246204876 1104437262 /nfs/dbraw/zinc/43/72/62/1104437262.db2.gz HXZVCZLRDSUCSD-TUKIKUTGSA-N 2 2 317.235 3.140 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246220379 1104443548 /nfs/dbraw/zinc/44/35/48/1104443548.db2.gz FMEOPWYQTWOSMA-LLVKDONJSA-N 2 2 320.330 3.345 20 0 DGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(OC)c2F)CC[NH2+]1 ZINC001246221635 1104443598 /nfs/dbraw/zinc/44/35/98/1104443598.db2.gz DVNSTJOCWODFAG-UONOGXRCSA-N 2 2 312.404 3.374 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)C[C@H](C)[NH2+]1 ZINC001246228926 1104447686 /nfs/dbraw/zinc/44/76/86/1104447686.db2.gz YXEVMAQHNMWREA-DDFAGTSDSA-N 2 2 304.331 3.463 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1F ZINC001246228577 1104447842 /nfs/dbraw/zinc/44/78/42/1104447842.db2.gz YFLZILUYNMZVOE-IAGOWNOFSA-N 2 2 316.395 3.418 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C[NH2+]1 ZINC001246272808 1104468831 /nfs/dbraw/zinc/46/88/31/1104468831.db2.gz WKCMCOAVDXJGMU-XWIAVFTESA-N 2 2 306.425 3.024 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC001246277971 1104470863 /nfs/dbraw/zinc/47/08/63/1104470863.db2.gz IPJDSLKBARRXBI-LOWVWBTDSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC001246296633 1104477117 /nfs/dbraw/zinc/47/71/17/1104477117.db2.gz SSJVQKUBUBDWOG-HKFAYQRXSA-N 2 2 322.880 3.333 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3cccc(Cl)c3)no2)CC[NH2+]1 ZINC001246308061 1104482462 /nfs/dbraw/zinc/48/24/62/1104482462.db2.gz IQJUYUOTBSJJCQ-FZMZJTMJSA-N 2 2 305.809 3.225 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]C(C)(C)c2cccc(Br)c2)C[NH2+]1 ZINC001246327351 1104490711 /nfs/dbraw/zinc/49/07/11/1104490711.db2.gz MIDPIKNFRHNNIP-SMDDNHRTSA-N 2 2 311.267 3.414 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246331947 1104494764 /nfs/dbraw/zinc/49/47/64/1104494764.db2.gz CMXYZDMQNKTDEH-DFQSSKMNSA-N 3 2 317.521 3.394 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC[NH2+]1 ZINC001246331947 1104494771 /nfs/dbraw/zinc/49/47/71/1104494771.db2.gz CMXYZDMQNKTDEH-DFQSSKMNSA-N 3 2 317.521 3.394 20 0 DGADLP COc1ccccc1C1([NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246359968 1104508674 /nfs/dbraw/zinc/50/86/74/1104508674.db2.gz DFKIKMFDVSZNOQ-WMLDXEAASA-N 2 2 302.462 3.441 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246371037 1104513542 /nfs/dbraw/zinc/51/35/42/1104513542.db2.gz ULXXCPJJKCOOSQ-CVEARBPZSA-N 2 2 317.477 3.413 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCOCC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246454703 1104545196 /nfs/dbraw/zinc/54/51/96/1104545196.db2.gz FPZCOUSPAXRKCC-CCKFTAQKSA-N 2 2 320.452 3.414 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508847 1104571135 /nfs/dbraw/zinc/57/11/35/1104571135.db2.gz FIXSGKQPXBZJLY-ICSRJNTNSA-N 2 2 310.441 3.151 20 0 DGADLP CCCC[C@H](CCC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246524564 1104578159 /nfs/dbraw/zinc/57/81/59/1104578159.db2.gz JYANSSOYOJIUNA-IRXDYDNUSA-N 2 2 306.450 3.422 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246549290 1104590738 /nfs/dbraw/zinc/59/07/38/1104590738.db2.gz ICRWTIOOWFTSJY-MISYRCLQSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549290 1104590745 /nfs/dbraw/zinc/59/07/45/1104590745.db2.gz ICRWTIOOWFTSJY-MISYRCLQSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549290 1104590750 /nfs/dbraw/zinc/59/07/50/1104590750.db2.gz ICRWTIOOWFTSJY-MISYRCLQSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549290 1104590756 /nfs/dbraw/zinc/59/07/56/1104590756.db2.gz ICRWTIOOWFTSJY-MISYRCLQSA-N 3 2 315.505 3.243 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]CC(C)C)(C1)CCC2 ZINC001275055755 1104593759 /nfs/dbraw/zinc/59/37/59/1104593759.db2.gz IHKFJSYECMFZPX-MSOLQXFVSA-N 2 2 304.482 3.084 20 0 DGADLP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062297 1104600649 /nfs/dbraw/zinc/60/06/49/1104600649.db2.gz VDYXSDBQXDRSHX-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062297 1104600651 /nfs/dbraw/zinc/60/06/51/1104600651.db2.gz VDYXSDBQXDRSHX-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062297 1104600656 /nfs/dbraw/zinc/60/06/56/1104600656.db2.gz VDYXSDBQXDRSHX-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062297 1104600659 /nfs/dbraw/zinc/60/06/59/1104600659.db2.gz VDYXSDBQXDRSHX-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062298 1104600776 /nfs/dbraw/zinc/60/07/76/1104600776.db2.gz VDYXSDBQXDRSHX-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062298 1104600782 /nfs/dbraw/zinc/60/07/82/1104600782.db2.gz VDYXSDBQXDRSHX-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062298 1104600788 /nfs/dbraw/zinc/60/07/88/1104600788.db2.gz VDYXSDBQXDRSHX-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062298 1104600792 /nfs/dbraw/zinc/60/07/92/1104600792.db2.gz VDYXSDBQXDRSHX-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575311 1104601206 /nfs/dbraw/zinc/60/12/06/1104601206.db2.gz WOQPPAZOFCOJTR-SMDDNHRTSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575311 1104601212 /nfs/dbraw/zinc/60/12/12/1104601212.db2.gz WOQPPAZOFCOJTR-SMDDNHRTSA-N 2 2 313.272 3.392 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582385 1104606203 /nfs/dbraw/zinc/60/62/03/1104606203.db2.gz RWWXVKWRBZBNDR-IRXDYDNUSA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582385 1104606207 /nfs/dbraw/zinc/60/62/07/1104606207.db2.gz RWWXVKWRBZBNDR-IRXDYDNUSA-N 2 2 310.844 3.350 20 0 DGADLP C[C@]1(F)CC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@@H]1F ZINC001246586558 1104606278 /nfs/dbraw/zinc/60/62/78/1104606278.db2.gz BXJUJJUALRUCDJ-BDXSIMOUSA-N 2 2 308.416 3.122 20 0 DGADLP C[C@]1(F)CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@@H]1F ZINC001246586558 1104606283 /nfs/dbraw/zinc/60/62/83/1104606283.db2.gz BXJUJJUALRUCDJ-BDXSIMOUSA-N 2 2 308.416 3.122 20 0 DGADLP C[C@]1(F)CC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@@H]1F ZINC001246586573 1104606713 /nfs/dbraw/zinc/60/67/13/1104606713.db2.gz BXJUJJUALRUCDJ-MHORFTMASA-N 2 2 308.416 3.122 20 0 DGADLP C[C@]1(F)CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@@H]1F ZINC001246586573 1104606716 /nfs/dbraw/zinc/60/67/16/1104606716.db2.gz BXJUJJUALRUCDJ-MHORFTMASA-N 2 2 308.416 3.122 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074306 1104609855 /nfs/dbraw/zinc/60/98/55/1104609855.db2.gz QKBVXZLUWJBQFJ-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074306 1104609861 /nfs/dbraw/zinc/60/98/61/1104609861.db2.gz QKBVXZLUWJBQFJ-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074306 1104609863 /nfs/dbraw/zinc/60/98/63/1104609863.db2.gz QKBVXZLUWJBQFJ-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074306 1104609867 /nfs/dbraw/zinc/60/98/67/1104609867.db2.gz QKBVXZLUWJBQFJ-FUHWJXTLSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001246597848 1104613979 /nfs/dbraw/zinc/61/39/79/1104613979.db2.gz XELDCBDAXPNOSC-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246611097 1104626544 /nfs/dbraw/zinc/62/65/44/1104626544.db2.gz RRWBZSZKKDBXLL-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246611097 1104626549 /nfs/dbraw/zinc/62/65/49/1104626549.db2.gz RRWBZSZKKDBXLL-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246612098 1104626775 /nfs/dbraw/zinc/62/67/75/1104626775.db2.gz HHZUIXKDZPTYLU-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246612098 1104626781 /nfs/dbraw/zinc/62/67/81/1104626781.db2.gz HHZUIXKDZPTYLU-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP COc1ccccc1C[C@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612301 1104628224 /nfs/dbraw/zinc/62/82/24/1104628224.db2.gz IGWILOIBDACAHJ-QFBILLFUSA-N 2 2 302.462 3.234 20 0 DGADLP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612301 1104628231 /nfs/dbraw/zinc/62/82/31/1104628231.db2.gz IGWILOIBDACAHJ-QFBILLFUSA-N 2 2 302.462 3.234 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613051 1104628432 /nfs/dbraw/zinc/62/84/32/1104628432.db2.gz KIWZEFUMEXZKCY-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613051 1104628438 /nfs/dbraw/zinc/62/84/38/1104628438.db2.gz KIWZEFUMEXZKCY-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613623 1104628735 /nfs/dbraw/zinc/62/87/35/1104628735.db2.gz JYIMVQMTUUVAQO-CZUORRHYSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613623 1104628738 /nfs/dbraw/zinc/62/87/38/1104628738.db2.gz JYIMVQMTUUVAQO-CZUORRHYSA-N 2 2 312.379 3.464 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620899 1104631392 /nfs/dbraw/zinc/63/13/92/1104631392.db2.gz OMXSVSGYXBPFGQ-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620899 1104631394 /nfs/dbraw/zinc/63/13/94/1104631394.db2.gz OMXSVSGYXBPFGQ-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CC[C@H]3[NH2+]C[C@H]3C1)C2 ZINC001246632252 1104638492 /nfs/dbraw/zinc/63/84/92/1104638492.db2.gz WGOVDNKMWJGEPW-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CC[C@H]3[NH2+]C[C@H]3C1)C2 ZINC001246632252 1104638497 /nfs/dbraw/zinc/63/84/97/1104638497.db2.gz WGOVDNKMWJGEPW-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649186 1104645564 /nfs/dbraw/zinc/64/55/64/1104645564.db2.gz AUEMUBVGAHMVOM-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246649186 1104645569 /nfs/dbraw/zinc/64/55/69/1104645569.db2.gz AUEMUBVGAHMVOM-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP CCCOC1CCC([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC1 ZINC001246653171 1104649729 /nfs/dbraw/zinc/64/97/29/1104649729.db2.gz CNNKZYWJTYGEDB-ZYKFHVCXSA-N 2 2 314.473 3.295 20 0 DGADLP CCCOC1CCC([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC1 ZINC001246653171 1104649731 /nfs/dbraw/zinc/64/97/31/1104649731.db2.gz CNNKZYWJTYGEDB-ZYKFHVCXSA-N 2 2 314.473 3.295 20 0 DGADLP c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CS2 ZINC001246667109 1104654121 /nfs/dbraw/zinc/65/41/21/1104654121.db2.gz XTYKGJJYEZSQMZ-NZSAHSFTSA-N 2 2 322.477 3.275 20 0 DGADLP c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CS2 ZINC001246667109 1104654127 /nfs/dbraw/zinc/65/41/27/1104654127.db2.gz XTYKGJJYEZSQMZ-NZSAHSFTSA-N 2 2 322.477 3.275 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246664382 1104654235 /nfs/dbraw/zinc/65/42/35/1104654235.db2.gz WHTCQXUUHHEGAO-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246664382 1104654239 /nfs/dbraw/zinc/65/42/39/1104654239.db2.gz WHTCQXUUHHEGAO-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246664383 1104654467 /nfs/dbraw/zinc/65/44/67/1104654467.db2.gz WHTCQXUUHHEGAO-IVMMDQJWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246664383 1104654470 /nfs/dbraw/zinc/65/44/70/1104654470.db2.gz WHTCQXUUHHEGAO-IVMMDQJWSA-N 2 2 323.278 3.064 20 0 DGADLP c1cn(CC[NH2+][C@@]23CC[C@@]([NH2+]CC4CCCC4)(C2)CCC3)c[nH+]1 ZINC001275156188 1104655307 /nfs/dbraw/zinc/65/53/07/1104655307.db2.gz WMYHTDLESZLVKL-RBUKOAKNSA-N 3 2 316.493 3.098 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C[NH2+]1 ZINC001246733159 1104665274 /nfs/dbraw/zinc/66/52/74/1104665274.db2.gz JYELAODTGODSEY-NEWSRXKRSA-N 2 2 314.473 3.166 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782027 1104672431 /nfs/dbraw/zinc/67/24/31/1104672431.db2.gz WRARHNSSZZAPLO-SJORKVTESA-N 2 2 319.468 3.259 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCO[C@@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246798750 1104680862 /nfs/dbraw/zinc/68/08/62/1104680862.db2.gz RGIRVAJVOPNWHP-ZHALLVOQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCO[C@@H](c3ccccc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246798750 1104680868 /nfs/dbraw/zinc/68/08/68/1104680868.db2.gz RGIRVAJVOPNWHP-ZHALLVOQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246802317 1104681991 /nfs/dbraw/zinc/68/19/91/1104681991.db2.gz JKLCYNVMVXUGMD-FMKPAKJESA-N 2 2 310.482 3.102 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246802317 1104681995 /nfs/dbraw/zinc/68/19/95/1104681995.db2.gz JKLCYNVMVXUGMD-FMKPAKJESA-N 2 2 310.482 3.102 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CCc2ccc3cc(OC)ccc3c2)C1 ZINC001246812179 1104687619 /nfs/dbraw/zinc/68/76/19/1104687619.db2.gz HKHKLZOEYJBPNK-HNAYVOBHSA-N 2 2 312.457 3.463 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)CCc2ccc3cc(OC)ccc3c2)C1 ZINC001246812179 1104687621 /nfs/dbraw/zinc/68/76/21/1104687621.db2.gz HKHKLZOEYJBPNK-HNAYVOBHSA-N 2 2 312.457 3.463 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822043 1104691916 /nfs/dbraw/zinc/69/19/16/1104691916.db2.gz LONSBRRSSVOHRZ-XPKDYRNWSA-N 2 2 323.278 3.379 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822043 1104691918 /nfs/dbraw/zinc/69/19/18/1104691918.db2.gz LONSBRRSSVOHRZ-XPKDYRNWSA-N 2 2 323.278 3.379 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246839744 1104699418 /nfs/dbraw/zinc/69/94/18/1104699418.db2.gz KDBTVUQEMGBOSU-DOMZBBRYSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246839744 1104699422 /nfs/dbraw/zinc/69/94/22/1104699422.db2.gz KDBTVUQEMGBOSU-DOMZBBRYSA-N 2 2 311.267 3.412 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866691 1104713133 /nfs/dbraw/zinc/71/31/33/1104713133.db2.gz FAUMNRKQYWXXPA-GBESFXJTSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866691 1104713141 /nfs/dbraw/zinc/71/31/41/1104713141.db2.gz FAUMNRKQYWXXPA-GBESFXJTSA-N 2 2 316.489 3.097 20 0 DGADLP CC1(C)C[NH+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC(C)(C)O1 ZINC001246898694 1104726935 /nfs/dbraw/zinc/72/69/35/1104726935.db2.gz ZRVYXCVIIIJJPR-DLBZAZTESA-N 2 2 302.462 3.369 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917034 1104735457 /nfs/dbraw/zinc/73/54/57/1104735457.db2.gz VGTGNOHRPZRKDQ-SLFFLAALSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917034 1104735464 /nfs/dbraw/zinc/73/54/64/1104735464.db2.gz VGTGNOHRPZRKDQ-SLFFLAALSA-N 2 2 316.489 3.241 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246940620 1104745704 /nfs/dbraw/zinc/74/57/04/1104745704.db2.gz JHVGBSBNNGVTHX-PMACEKPBSA-N 3 2 317.521 3.013 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246940620 1104745706 /nfs/dbraw/zinc/74/57/06/1104745706.db2.gz JHVGBSBNNGVTHX-PMACEKPBSA-N 3 2 317.521 3.013 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246958052 1104752745 /nfs/dbraw/zinc/75/27/45/1104752745.db2.gz BSJDXYKFYXGENZ-FPAYPSAMSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246958052 1104752749 /nfs/dbraw/zinc/75/27/49/1104752749.db2.gz BSJDXYKFYXGENZ-FPAYPSAMSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246967923 1104755406 /nfs/dbraw/zinc/75/54/06/1104755406.db2.gz VCWNHDIBFPKYFK-ZAWLATJESA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246967923 1104755408 /nfs/dbraw/zinc/75/54/08/1104755408.db2.gz VCWNHDIBFPKYFK-ZAWLATJESA-N 2 2 301.478 3.460 20 0 DGADLP c1cn(-c2cccc(CN3CC4(CC[N@@H+]4C4CCCC4)C3)c2)c[nH+]1 ZINC001275444592 1104762146 /nfs/dbraw/zinc/76/21/46/1104762146.db2.gz QCRCEKMSRWRCJO-UHFFFAOYSA-N 2 2 322.456 3.075 20 0 DGADLP c1cn(-c2cccc(CN3CC4(CC[N@H+]4C4CCCC4)C3)c2)c[nH+]1 ZINC001275444592 1104762151 /nfs/dbraw/zinc/76/21/51/1104762151.db2.gz QCRCEKMSRWRCJO-UHFFFAOYSA-N 2 2 322.456 3.075 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246993953 1104767329 /nfs/dbraw/zinc/76/73/29/1104767329.db2.gz NTHMZWYEJUWSRA-GDBMZVCRSA-N 2 2 304.434 3.014 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246993953 1104767331 /nfs/dbraw/zinc/76/73/31/1104767331.db2.gz NTHMZWYEJUWSRA-GDBMZVCRSA-N 2 2 304.434 3.014 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994004 1104767899 /nfs/dbraw/zinc/76/78/99/1104767899.db2.gz OEWMOQNQOYMFMX-CVEARBPZSA-N 2 2 304.434 3.158 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994004 1104767904 /nfs/dbraw/zinc/76/79/04/1104767904.db2.gz OEWMOQNQOYMFMX-CVEARBPZSA-N 2 2 304.434 3.158 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001275470674 1104769144 /nfs/dbraw/zinc/76/91/44/1104769144.db2.gz IUMPPYNRYDHBTL-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cccnc3cc1F)C2 ZINC001275470674 1104769151 /nfs/dbraw/zinc/76/91/51/1104769151.db2.gz IUMPPYNRYDHBTL-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3cccnc3cc1F)C2 ZINC001275470674 1104769156 /nfs/dbraw/zinc/76/91/56/1104769156.db2.gz IUMPPYNRYDHBTL-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3cccnc3cc1F)C2 ZINC001275470674 1104769165 /nfs/dbraw/zinc/76/91/65/1104769165.db2.gz IUMPPYNRYDHBTL-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998405 1104770092 /nfs/dbraw/zinc/77/00/92/1104770092.db2.gz FYKRQHAZAOWFNU-IRXDYDNUSA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998405 1104770098 /nfs/dbraw/zinc/77/00/98/1104770098.db2.gz FYKRQHAZAOWFNU-IRXDYDNUSA-N 2 2 302.462 3.405 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001428 1104771589 /nfs/dbraw/zinc/77/15/89/1104771589.db2.gz IPNSPWYXRLMQQB-MBNYWOFBSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001428 1104771591 /nfs/dbraw/zinc/77/15/91/1104771591.db2.gz IPNSPWYXRLMQQB-MBNYWOFBSA-N 2 2 323.278 3.336 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001247002140 1104772826 /nfs/dbraw/zinc/77/28/26/1104772826.db2.gz JZVDOAQNLWDEDM-VXGBXAGGSA-N 2 2 311.267 3.194 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001247002140 1104772831 /nfs/dbraw/zinc/77/28/31/1104772831.db2.gz JZVDOAQNLWDEDM-VXGBXAGGSA-N 2 2 311.267 3.194 20 0 DGADLP c1ccc2ncc(CC3CC[NH+]([C@@H]4CCC[NH2+]C4)CC3)cc2c1 ZINC001247008747 1104775628 /nfs/dbraw/zinc/77/56/28/1104775628.db2.gz YZYRETSPJHNUON-LJQANCHMSA-N 2 2 309.457 3.241 20 0 DGADLP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001247009548 1104775983 /nfs/dbraw/zinc/77/59/83/1104775983.db2.gz RPLUDZGSWFCHRZ-ZWKOTPCHSA-N 2 2 316.445 3.142 20 0 DGADLP COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001247009548 1104775985 /nfs/dbraw/zinc/77/59/85/1104775985.db2.gz RPLUDZGSWFCHRZ-ZWKOTPCHSA-N 2 2 316.445 3.142 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC001247700208 1104959015 /nfs/dbraw/zinc/95/90/15/1104959015.db2.gz LQAVTAUFIRYXIN-AWEZNQCLSA-N 2 2 314.776 3.016 20 0 DGADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032875 1104991992 /nfs/dbraw/zinc/99/19/92/1104991992.db2.gz PZVXHEPLIFAYFR-AOIWGVFYSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032875 1104991998 /nfs/dbraw/zinc/99/19/98/1104991998.db2.gz PZVXHEPLIFAYFR-AOIWGVFYSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032875 1104992002 /nfs/dbraw/zinc/99/20/02/1104992002.db2.gz PZVXHEPLIFAYFR-AOIWGVFYSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@H]1C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032875 1104992005 /nfs/dbraw/zinc/99/20/05/1104992005.db2.gz PZVXHEPLIFAYFR-AOIWGVFYSA-N 2 2 301.478 3.349 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078501 1105009344 /nfs/dbraw/zinc/00/93/44/1105009344.db2.gz QGIQQEMZXMNNPU-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078501 1105009350 /nfs/dbraw/zinc/00/93/50/1105009350.db2.gz QGIQQEMZXMNNPU-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078501 1105009356 /nfs/dbraw/zinc/00/93/56/1105009356.db2.gz QGIQQEMZXMNNPU-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078501 1105009362 /nfs/dbraw/zinc/00/93/62/1105009362.db2.gz QGIQQEMZXMNNPU-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH]c[nH+]c1C ZINC001276207085 1105048039 /nfs/dbraw/zinc/04/80/39/1105048039.db2.gz REDLHMHWVJMONI-YESZJQIVSA-N 2 2 304.482 3.193 20 0 DGADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1F)CC2 ZINC001276212142 1105049505 /nfs/dbraw/zinc/04/95/05/1105049505.db2.gz PKOSSAIHKBMBBM-UHFFFAOYSA-N 2 2 316.342 3.161 20 0 DGADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)c(F)c1F)CC2 ZINC001276212142 1105049510 /nfs/dbraw/zinc/04/95/10/1105049510.db2.gz PKOSSAIHKBMBBM-UHFFFAOYSA-N 2 2 316.342 3.161 20 0 DGADLP CCCCc1ncc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)[nH]1 ZINC001276215651 1105050800 /nfs/dbraw/zinc/05/08/00/1105050800.db2.gz NKIFZWZZZRZPNP-UHFFFAOYSA-N 2 2 304.482 3.060 20 0 DGADLP CCCCc1ncc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)[nH]1 ZINC001276215651 1105050808 /nfs/dbraw/zinc/05/08/08/1105050808.db2.gz NKIFZWZZZRZPNP-UHFFFAOYSA-N 2 2 304.482 3.060 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001256825834 1105076220 /nfs/dbraw/zinc/07/62/20/1105076220.db2.gz CNDNRZGKDBQJOS-JSGCOSHPSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001256825834 1105076228 /nfs/dbraw/zinc/07/62/28/1105076228.db2.gz CNDNRZGKDBQJOS-JSGCOSHPSA-N 2 2 311.267 3.064 20 0 DGADLP [NH3+]C[C@H]1CC[C@@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC001249160471 1105235678 /nfs/dbraw/zinc/23/56/78/1105235678.db2.gz SUCBITYKKAMMEK-OTVXOJSOSA-N 2 2 323.400 3.155 20 0 DGADLP c1cc(C[N@@H+]2CCC[NH2+]CC2)cc(OCC2CCCCC2)c1 ZINC000469832450 1105296146 /nfs/dbraw/zinc/29/61/46/1105296146.db2.gz SSMWCZLHFXDZQX-UHFFFAOYSA-N 2 2 302.462 3.441 20 0 DGADLP c1cc(C[N@H+]2CCC[NH2+]CC2)cc(OCC2CCCCC2)c1 ZINC000469832450 1105296155 /nfs/dbraw/zinc/29/61/55/1105296155.db2.gz SSMWCZLHFXDZQX-UHFFFAOYSA-N 2 2 302.462 3.441 20 0 DGADLP c1cn(-c2ccccc2NC2=CC[C@H]([NH+]3CCOCC3)CC2)c[nH+]1 ZINC001249557489 1105313167 /nfs/dbraw/zinc/31/31/67/1105313167.db2.gz ZJDGMANDNJNBBB-KRWDZBQOSA-N 2 2 324.428 3.053 20 0 DGADLP CC[N@H+](C)c1ccc(NC2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001249561790 1105316405 /nfs/dbraw/zinc/31/64/05/1105316405.db2.gz SVVBGTXFLQOJCY-IBGZPJMESA-N 2 2 315.461 3.323 20 0 DGADLP CC[N@@H+](C)c1ccc(NC2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001249561790 1105316408 /nfs/dbraw/zinc/31/64/08/1105316408.db2.gz SVVBGTXFLQOJCY-IBGZPJMESA-N 2 2 315.461 3.323 20 0 DGADLP CC[N@H+](C)c1ccc(NC2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001249561794 1105317042 /nfs/dbraw/zinc/31/70/42/1105317042.db2.gz SVVBGTXFLQOJCY-LJQANCHMSA-N 2 2 315.461 3.323 20 0 DGADLP CC[N@@H+](C)c1ccc(NC2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001249561794 1105317046 /nfs/dbraw/zinc/31/70/46/1105317046.db2.gz SVVBGTXFLQOJCY-LJQANCHMSA-N 2 2 315.461 3.323 20 0 DGADLP Cc1ccccc1-c1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250458470 1105517454 /nfs/dbraw/zinc/51/74/54/1105517454.db2.gz BJQJIERGPMZDLW-UHFFFAOYSA-N 2 2 306.413 3.290 20 0 DGADLP C[NH+]1CCN(c2cccc3[nH+]c(CCC4CCCC4)[nH]c32)CC1 ZINC001250565127 1105538122 /nfs/dbraw/zinc/53/81/22/1105538122.db2.gz YBQDYNOYBOXRNH-UHFFFAOYSA-N 2 2 312.461 3.438 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253196833 1105902075 /nfs/dbraw/zinc/90/20/75/1105902075.db2.gz YNDWIUGMGXJEBI-IRXDYDNUSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253196833 1105902078 /nfs/dbraw/zinc/90/20/78/1105902078.db2.gz YNDWIUGMGXJEBI-IRXDYDNUSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1F ZINC001253211683 1105903629 /nfs/dbraw/zinc/90/36/29/1105903629.db2.gz JQOPVFBJCYHFSF-LPHOPBHVSA-N 2 2 322.468 3.349 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC001253212826 1105903732 /nfs/dbraw/zinc/90/37/32/1105903732.db2.gz PIXLXLCBCHYTFT-MRXNPFEDSA-N 2 2 310.869 3.012 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1F ZINC001253211685 1105903786 /nfs/dbraw/zinc/90/37/86/1105903786.db2.gz JQOPVFBJCYHFSF-QFBILLFUSA-N 2 2 322.468 3.349 20 0 DGADLP Fc1ccc(N2CCC([NH2+]Cc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC001254621618 1106115211 /nfs/dbraw/zinc/11/52/11/1106115211.db2.gz HQUWSGRJHGJZBU-UHFFFAOYSA-N 2 2 324.403 3.232 20 0 DGADLP Clc1ccc(C2(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254840845 1106146700 /nfs/dbraw/zinc/14/67/00/1106146700.db2.gz PAQRGVBBHAZNHK-QGZVFWFLSA-N 2 2 304.865 3.446 20 0 DGADLP COc1ccccc1CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254845968 1106147990 /nfs/dbraw/zinc/14/79/90/1106147990.db2.gz SSLXXSPDBWYLLB-GOSISDBHSA-N 2 2 314.473 3.234 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)[nH+]1 ZINC001103254995 1106183214 /nfs/dbraw/zinc/18/32/14/1106183214.db2.gz MWRONUNUSCZGFG-RHSMWYFYSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)[nH+]1 ZINC001103254995 1106183215 /nfs/dbraw/zinc/18/32/15/1106183215.db2.gz MWRONUNUSCZGFG-RHSMWYFYSA-N 2 2 317.477 3.103 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122860 1106183748 /nfs/dbraw/zinc/18/37/48/1106183748.db2.gz WKXIELGOCRTZGL-BCDXTJNWSA-N 2 2 300.446 3.139 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122860 1106183750 /nfs/dbraw/zinc/18/37/50/1106183750.db2.gz WKXIELGOCRTZGL-BCDXTJNWSA-N 2 2 300.446 3.139 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127732 1106185242 /nfs/dbraw/zinc/18/52/42/1106185242.db2.gz BYTVEWPMIVNERK-OWYHZJEWSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127732 1106185245 /nfs/dbraw/zinc/18/52/45/1106185245.db2.gz BYTVEWPMIVNERK-OWYHZJEWSA-N 2 2 322.456 3.323 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137631 1106187356 /nfs/dbraw/zinc/18/73/56/1106187356.db2.gz ZGDZLMWNWOBHCC-REPLKXPHSA-N 3 2 324.472 3.143 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137631 1106187357 /nfs/dbraw/zinc/18/73/57/1106187357.db2.gz ZGDZLMWNWOBHCC-REPLKXPHSA-N 3 2 324.472 3.143 20 0 DGADLP CC1(C)CCC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001255304402 1106219064 /nfs/dbraw/zinc/21/90/64/1106219064.db2.gz ITIQQCLTJDPQPN-ROUUACIJSA-N 2 2 313.489 3.414 20 0 DGADLP CCCC[C@@H](C)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001255326550 1106223394 /nfs/dbraw/zinc/22/33/94/1106223394.db2.gz RQQUSTYPGDINHS-QGZVFWFLSA-N 2 2 317.477 3.332 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255382045 1106237101 /nfs/dbraw/zinc/23/71/01/1106237101.db2.gz BAFIRMOSEPAMDL-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382045 1106237105 /nfs/dbraw/zinc/23/71/05/1106237105.db2.gz BAFIRMOSEPAMDL-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255395762 1106240216 /nfs/dbraw/zinc/24/02/16/1106240216.db2.gz CSXVOFXYFMCMAU-GOSISDBHSA-N 3 2 312.461 3.002 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255395762 1106240218 /nfs/dbraw/zinc/24/02/18/1106240218.db2.gz CSXVOFXYFMCMAU-GOSISDBHSA-N 3 2 312.461 3.002 20 0 DGADLP F[C@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400341 1106244248 /nfs/dbraw/zinc/24/42/48/1106244248.db2.gz IRIIDODWNUESEP-VJANTYMQSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400341 1106244253 /nfs/dbraw/zinc/24/42/53/1106244253.db2.gz IRIIDODWNUESEP-VJANTYMQSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400341 1106244256 /nfs/dbraw/zinc/24/42/56/1106244256.db2.gz IRIIDODWNUESEP-VJANTYMQSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400341 1106244259 /nfs/dbraw/zinc/24/42/59/1106244259.db2.gz IRIIDODWNUESEP-VJANTYMQSA-N 2 2 302.437 3.331 20 0 DGADLP Cc1ncc(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cn1 ZINC001255408547 1106246354 /nfs/dbraw/zinc/24/63/54/1106246354.db2.gz NMWGDDRJBYYIGR-HXUWFJFHSA-N 2 2 324.472 3.272 20 0 DGADLP Cc1ncc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cn1 ZINC001255408547 1106246358 /nfs/dbraw/zinc/24/63/58/1106246358.db2.gz NMWGDDRJBYYIGR-HXUWFJFHSA-N 2 2 324.472 3.272 20 0 DGADLP Cc1ncc(C[NH+](C)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001255408547 1106246359 /nfs/dbraw/zinc/24/63/59/1106246359.db2.gz NMWGDDRJBYYIGR-HXUWFJFHSA-N 2 2 324.472 3.272 20 0 DGADLP Cc1ncc(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255408547 1106246363 /nfs/dbraw/zinc/24/63/63/1106246363.db2.gz NMWGDDRJBYYIGR-HXUWFJFHSA-N 2 2 324.472 3.272 20 0 DGADLP CC(C)(C)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001255500147 1106259280 /nfs/dbraw/zinc/25/92/80/1106259280.db2.gz AEMWYBUMZALVNO-JCYILVPMSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1 ZINC001255500147 1106259285 /nfs/dbraw/zinc/25/92/85/1106259285.db2.gz AEMWYBUMZALVNO-JCYILVPMSA-N 2 2 308.510 3.434 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ncccc1C(F)(F)F ZINC001255940895 1106345608 /nfs/dbraw/zinc/34/56/08/1106345608.db2.gz IDPICKPNKKETFP-LBPRGKRZSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC001255967127 1106351965 /nfs/dbraw/zinc/35/19/65/1106351965.db2.gz OLGONJOKEVSNQG-OAHLLOKOSA-N 2 2 308.466 3.256 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC001255967127 1106351960 /nfs/dbraw/zinc/35/19/60/1106351960.db2.gz OLGONJOKEVSNQG-OAHLLOKOSA-N 2 2 308.466 3.256 20 0 DGADLP CC[NH+](CC)CC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001255971349 1106352876 /nfs/dbraw/zinc/35/28/76/1106352876.db2.gz JHXNATJGETUFLC-KRWDZBQOSA-N 3 2 318.509 3.069 20 0 DGADLP Cc1cccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1C ZINC001256079520 1106366212 /nfs/dbraw/zinc/36/62/12/1106366212.db2.gz LPUTXSOWYQEZIM-UHFFFAOYSA-N 2 2 313.489 3.052 20 0 DGADLP COc1cccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)c1 ZINC001256199669 1106389439 /nfs/dbraw/zinc/38/94/39/1106389439.db2.gz GNFRPLJIFUGEQK-HXUWFJFHSA-N 2 2 310.441 3.468 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522965 1106433070 /nfs/dbraw/zinc/43/30/70/1106433070.db2.gz LAOLGBMGLCMZQY-PKOBYXMFSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522965 1106433075 /nfs/dbraw/zinc/43/30/75/1106433075.db2.gz LAOLGBMGLCMZQY-PKOBYXMFSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522965 1106433079 /nfs/dbraw/zinc/43/30/79/1106433079.db2.gz LAOLGBMGLCMZQY-PKOBYXMFSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522965 1106433083 /nfs/dbraw/zinc/43/30/83/1106433083.db2.gz LAOLGBMGLCMZQY-PKOBYXMFSA-N 3 2 303.494 3.099 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523849 1106433565 /nfs/dbraw/zinc/43/35/65/1106433565.db2.gz SAIOTENUPCYGCB-APWZRJJASA-N 2 2 324.472 3.052 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523849 1106433568 /nfs/dbraw/zinc/43/35/68/1106433568.db2.gz SAIOTENUPCYGCB-APWZRJJASA-N 2 2 324.472 3.052 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552259 1106440758 /nfs/dbraw/zinc/44/07/58/1106440758.db2.gz ATMKDIPJSZWKMP-QUCCMNQESA-N 3 2 317.521 3.313 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552259 1106440761 /nfs/dbraw/zinc/44/07/61/1106440761.db2.gz ATMKDIPJSZWKMP-QUCCMNQESA-N 3 2 317.521 3.313 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256554800 1106441862 /nfs/dbraw/zinc/44/18/62/1106441862.db2.gz QXZQPTLNYZESNZ-VUHPKUFZSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256554800 1106441864 /nfs/dbraw/zinc/44/18/64/1106441864.db2.gz QXZQPTLNYZESNZ-VUHPKUFZSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCc3cccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256561166 1106444799 /nfs/dbraw/zinc/44/47/99/1106444799.db2.gz VXUALAGDCVQMOR-XLIONFOSSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCc3cccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256561166 1106444800 /nfs/dbraw/zinc/44/48/00/1106444800.db2.gz VXUALAGDCVQMOR-XLIONFOSSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561166 1106444801 /nfs/dbraw/zinc/44/48/01/1106444801.db2.gz VXUALAGDCVQMOR-XLIONFOSSA-N 2 2 321.468 3.493 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001256561166 1106444802 /nfs/dbraw/zinc/44/48/02/1106444802.db2.gz VXUALAGDCVQMOR-XLIONFOSSA-N 2 2 321.468 3.493 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC001256578733 1106449234 /nfs/dbraw/zinc/44/92/34/1106449234.db2.gz YQJPBKLRZYDOJO-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001256606544 1106453100 /nfs/dbraw/zinc/45/31/00/1106453100.db2.gz XPIXVUVRFXFXJR-AZUAARDMSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H]4CCCO[C@@H]4C3)CC2)cc1 ZINC001256606544 1106453101 /nfs/dbraw/zinc/45/31/01/1106453101.db2.gz XPIXVUVRFXFXJR-AZUAARDMSA-N 2 2 314.473 3.152 20 0 DGADLP COc1cccc2c1CC[C@H]([N@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001256659265 1106463916 /nfs/dbraw/zinc/46/39/16/1106463916.db2.gz WENHMKGEWWECLX-SFHVURJKSA-N 2 2 316.489 3.357 20 0 DGADLP COc1cccc2c1CC[C@H]([N@@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001256659265 1106463918 /nfs/dbraw/zinc/46/39/18/1106463918.db2.gz WENHMKGEWWECLX-SFHVURJKSA-N 2 2 316.489 3.357 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001256655659 1106464124 /nfs/dbraw/zinc/46/41/24/1106464124.db2.gz ZPBQITAGYKYYIR-QGZVFWFLSA-N 2 2 311.429 3.086 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001257208148 1106551123 /nfs/dbraw/zinc/55/11/23/1106551123.db2.gz FGXQFDPPCJXXOT-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001257311325 1106565055 /nfs/dbraw/zinc/56/50/55/1106565055.db2.gz LMLKYMWSCPPPFD-HNNXBMFYSA-N 2 2 318.461 3.216 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001257381002 1106577484 /nfs/dbraw/zinc/57/74/84/1106577484.db2.gz GJELCAGFKRVKIV-IRXDYDNUSA-N 2 2 312.498 3.208 20 0 DGADLP CCCC[C@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257422022 1106585903 /nfs/dbraw/zinc/58/59/03/1106585903.db2.gz YJAIPOPBBUCQEV-OTWHNJEPSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257422022 1106585905 /nfs/dbraw/zinc/58/59/05/1106585905.db2.gz YJAIPOPBBUCQEV-OTWHNJEPSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257422022 1106585908 /nfs/dbraw/zinc/58/59/08/1106585908.db2.gz YJAIPOPBBUCQEV-OTWHNJEPSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257422022 1106585910 /nfs/dbraw/zinc/58/59/10/1106585910.db2.gz YJAIPOPBBUCQEV-OTWHNJEPSA-N 2 2 301.478 3.414 20 0 DGADLP CC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001257444497 1106591024 /nfs/dbraw/zinc/59/10/24/1106591024.db2.gz JXJRMSYTUAUBQQ-OAHLLOKOSA-N 2 2 313.445 3.463 20 0 DGADLP CC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001257444497 1106591028 /nfs/dbraw/zinc/59/10/28/1106591028.db2.gz JXJRMSYTUAUBQQ-OAHLLOKOSA-N 2 2 313.445 3.463 20 0 DGADLP CC[C@@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001257444497 1106591032 /nfs/dbraw/zinc/59/10/32/1106591032.db2.gz JXJRMSYTUAUBQQ-OAHLLOKOSA-N 2 2 313.445 3.463 20 0 DGADLP CC[C@@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001257444497 1106591036 /nfs/dbraw/zinc/59/10/36/1106591036.db2.gz JXJRMSYTUAUBQQ-OAHLLOKOSA-N 2 2 313.445 3.463 20 0 DGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCCSC2)cc1 ZINC001257661486 1106616051 /nfs/dbraw/zinc/61/60/51/1106616051.db2.gz JXYSFLOMZMGUGT-MSOLQXFVSA-N 2 2 304.503 3.179 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257967917 1106653058 /nfs/dbraw/zinc/65/30/58/1106653058.db2.gz CBKOBGWONDZFRE-KRWDZBQOSA-N 2 2 322.880 3.448 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257967917 1106653062 /nfs/dbraw/zinc/65/30/62/1106653062.db2.gz CBKOBGWONDZFRE-KRWDZBQOSA-N 2 2 322.880 3.448 20 0 DGADLP COc1c(F)cc(F)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258001147 1106655943 /nfs/dbraw/zinc/65/59/43/1106655943.db2.gz FJTUBHYTEIAKPN-UHFFFAOYSA-N 2 2 312.404 3.183 20 0 DGADLP COc1cccc(C[N@H+](C)C2CC[NH+](CC(C)C)CC2)c1OC ZINC001258018249 1106659381 /nfs/dbraw/zinc/65/93/81/1106659381.db2.gz ZGINWLHOFDMUTO-UHFFFAOYSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](CC(C)C)CC2)c1OC ZINC001258018249 1106659382 /nfs/dbraw/zinc/65/93/82/1106659382.db2.gz ZGINWLHOFDMUTO-UHFFFAOYSA-N 2 2 320.477 3.256 20 0 DGADLP CCOC(=O)CC1CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001258022864 1106659925 /nfs/dbraw/zinc/65/99/25/1106659925.db2.gz PJWBSGUKQJKTTK-AOCRQIFASA-N 2 2 324.509 3.208 20 0 DGADLP CC(C)=CCC[C@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258088334 1106670489 /nfs/dbraw/zinc/67/04/89/1106670489.db2.gz LCHJJFNLRNKGLX-HNNXBMFYSA-N 2 2 314.433 3.412 20 0 DGADLP CC(C)=CCC[C@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258088334 1106670490 /nfs/dbraw/zinc/67/04/90/1106670490.db2.gz LCHJJFNLRNKGLX-HNNXBMFYSA-N 2 2 314.433 3.412 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4ncccc43)CC2)cc1 ZINC001258136935 1106679930 /nfs/dbraw/zinc/67/99/30/1106679930.db2.gz ZNPXFVTXIKILNT-OAQYLSRUSA-N 2 2 321.468 3.366 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCSC)CC1 ZINC001258201697 1106695787 /nfs/dbraw/zinc/69/57/87/1106695787.db2.gz FRFMWASRVFJZKX-HNNXBMFYSA-N 2 2 322.518 3.391 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)C1 ZINC001258284273 1106708173 /nfs/dbraw/zinc/70/81/73/1106708173.db2.gz BTRGASTXLIDRSL-QRVBRYPASA-N 2 2 313.489 3.414 20 0 DGADLP CSC(C)(C)C[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258343108 1106720132 /nfs/dbraw/zinc/72/01/32/1106720132.db2.gz SGKFPKUTOQVUPX-CQSZACIVSA-N 2 2 322.522 3.136 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC2)OCC(C)(C)CO3)C1 ZINC001258521335 1106797989 /nfs/dbraw/zinc/79/79/89/1106797989.db2.gz KLNRXPRLJRUVPT-KRWDZBQOSA-N 2 2 324.509 3.018 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC2)OCC(C)(C)CO3)C1 ZINC001258521335 1106798001 /nfs/dbraw/zinc/79/80/01/1106798001.db2.gz KLNRXPRLJRUVPT-KRWDZBQOSA-N 2 2 324.509 3.018 20 0 DGADLP C[C@H](Cc1cccnc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001258613694 1106852015 /nfs/dbraw/zinc/85/20/15/1106852015.db2.gz WVMMVZFKHCTCRM-XLIONFOSSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](Cc1cccnc1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258619026 1106856002 /nfs/dbraw/zinc/85/60/02/1106856002.db2.gz MXYSESLSTXUIEO-HNNXBMFYSA-N 2 2 313.420 3.102 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258660897 1106888135 /nfs/dbraw/zinc/88/81/35/1106888135.db2.gz LQSIYFVUNDCBKN-WOJBJXKFSA-N 2 2 316.489 3.194 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258660897 1106888142 /nfs/dbraw/zinc/88/81/42/1106888142.db2.gz LQSIYFVUNDCBKN-WOJBJXKFSA-N 2 2 316.489 3.194 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3C)C2)CC1 ZINC001258770394 1106964258 /nfs/dbraw/zinc/96/42/58/1106964258.db2.gz XVNHIGUSRJSLBU-FQEVSTJZSA-N 2 2 315.505 3.033 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001258774162 1106967662 /nfs/dbraw/zinc/96/76/62/1106967662.db2.gz JVNXOPVOQKYEDC-INIZCTEOSA-N 2 2 324.415 3.292 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001258774162 1106967671 /nfs/dbraw/zinc/96/76/71/1106967671.db2.gz JVNXOPVOQKYEDC-INIZCTEOSA-N 2 2 324.415 3.292 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258776036 1106971551 /nfs/dbraw/zinc/97/15/51/1106971551.db2.gz QCWPNKITVBGPCD-OALUTQOASA-N 3 2 307.526 3.200 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001258776036 1106971558 /nfs/dbraw/zinc/97/15/58/1106971558.db2.gz QCWPNKITVBGPCD-OALUTQOASA-N 3 2 307.526 3.200 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001258776036 1106971564 /nfs/dbraw/zinc/97/15/64/1106971564.db2.gz QCWPNKITVBGPCD-OALUTQOASA-N 3 2 307.526 3.200 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001258776036 1106971571 /nfs/dbraw/zinc/97/15/71/1106971571.db2.gz QCWPNKITVBGPCD-OALUTQOASA-N 3 2 307.526 3.200 20 0 DGADLP CC(C)C1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC1 ZINC001258801099 1106987688 /nfs/dbraw/zinc/98/76/88/1106987688.db2.gz JIKLJWDXIWFXJF-GUMHCPJTSA-N 2 2 315.505 3.003 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCC[C@@H](C)C1)CC2 ZINC001258820795 1107001787 /nfs/dbraw/zinc/00/17/87/1107001787.db2.gz ORFONFOBJKVMBI-CVEARBPZSA-N 2 2 318.509 3.462 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCC[C@@H](C)C1)CC2 ZINC001258820795 1107001796 /nfs/dbraw/zinc/00/17/96/1107001796.db2.gz ORFONFOBJKVMBI-CVEARBPZSA-N 2 2 318.509 3.462 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001258880217 1107034060 /nfs/dbraw/zinc/03/40/60/1107034060.db2.gz AJYONERUFFYBRW-DLBZAZTESA-N 2 2 304.478 3.336 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCCC[C@H]2C[NH2+]CC(C)C)c(C)[nH+]1 ZINC001317187579 1107108196 /nfs/dbraw/zinc/10/81/96/1107108196.db2.gz JBNUJOWBNKIAQZ-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001321239747 1107298829 /nfs/dbraw/zinc/29/88/29/1107298829.db2.gz NHGATYAZOPTHFY-GFCCVEGCSA-N 2 2 320.343 3.340 20 0 DGADLP CCc1cccc(F)c1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001262113250 1107625411 /nfs/dbraw/zinc/62/54/11/1107625411.db2.gz HFVMOVJWVLPQGB-UHFFFAOYSA-N 2 2 320.452 3.121 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(C)cc1 ZINC001322844450 1107765384 /nfs/dbraw/zinc/76/53/84/1107765384.db2.gz BJIOMOPDICNXIT-UHFFFAOYSA-N 2 2 306.369 3.065 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379631501 1108032652 /nfs/dbraw/zinc/03/26/52/1108032652.db2.gz RMARULNIZYMVAK-MISYRCLQSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631501 1108032666 /nfs/dbraw/zinc/03/26/66/1108032666.db2.gz RMARULNIZYMVAK-MISYRCLQSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631501 1108032681 /nfs/dbraw/zinc/03/26/81/1108032681.db2.gz RMARULNIZYMVAK-MISYRCLQSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631501 1108032694 /nfs/dbraw/zinc/03/26/94/1108032694.db2.gz RMARULNIZYMVAK-MISYRCLQSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379631502 1108035144 /nfs/dbraw/zinc/03/51/44/1108035144.db2.gz RMARULNIZYMVAK-RLLQIKCJSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631502 1108035157 /nfs/dbraw/zinc/03/51/57/1108035157.db2.gz RMARULNIZYMVAK-RLLQIKCJSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631502 1108035171 /nfs/dbraw/zinc/03/51/71/1108035171.db2.gz RMARULNIZYMVAK-RLLQIKCJSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631502 1108035182 /nfs/dbraw/zinc/03/51/82/1108035182.db2.gz RMARULNIZYMVAK-RLLQIKCJSA-N 3 2 315.505 3.113 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1cccs1 ZINC001318496636 1108059817 /nfs/dbraw/zinc/05/98/17/1108059817.db2.gz CMSIQDQXTFCLOD-UHFFFAOYSA-N 2 2 312.398 3.209 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(C)c1 ZINC001318542365 1108087885 /nfs/dbraw/zinc/08/78/85/1108087885.db2.gz WAUKINLHCISHSH-UHFFFAOYSA-N 2 2 306.369 3.065 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000381233572 1108094208 /nfs/dbraw/zinc/09/42/08/1108094208.db2.gz ITHILRUBNKAVOV-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000381233572 1108094223 /nfs/dbraw/zinc/09/42/23/1108094223.db2.gz ITHILRUBNKAVOV-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccccc1F ZINC001318584429 1108109761 /nfs/dbraw/zinc/10/97/61/1108109761.db2.gz FWLMQXXQFBYVAA-UHFFFAOYSA-N 2 2 324.359 3.286 20 0 DGADLP CCc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC001323888529 1108114549 /nfs/dbraw/zinc/11/45/49/1108114549.db2.gz AUGWZCYQYKDLHG-AWEZNQCLSA-N 2 2 303.475 3.499 20 0 DGADLP CCc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC001323888529 1108114551 /nfs/dbraw/zinc/11/45/51/1108114551.db2.gz AUGWZCYQYKDLHG-AWEZNQCLSA-N 2 2 303.475 3.499 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC001323890024 1108115422 /nfs/dbraw/zinc/11/54/22/1108115422.db2.gz XPBJXEWIBXMNTA-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC001323890024 1108115429 /nfs/dbraw/zinc/11/54/29/1108115429.db2.gz XPBJXEWIBXMNTA-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001325232368 1108603274 /nfs/dbraw/zinc/60/32/74/1108603274.db2.gz LLXXQQHISBWXNM-IAGOWNOFSA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001325232368 1108603280 /nfs/dbraw/zinc/60/32/80/1108603280.db2.gz LLXXQQHISBWXNM-IAGOWNOFSA-N 2 2 317.477 3.166 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815457 1108647681 /nfs/dbraw/zinc/64/76/81/1108647681.db2.gz VDCKVKGEGWUOPE-UONOGXRCSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815457 1108647687 /nfs/dbraw/zinc/64/76/87/1108647687.db2.gz VDCKVKGEGWUOPE-UONOGXRCSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001283676454 1109671730 /nfs/dbraw/zinc/67/17/30/1109671730.db2.gz AFQZWFVZVFGQHD-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001308167814 1111388744 /nfs/dbraw/zinc/38/87/44/1111388744.db2.gz JXRNHDNHDUFDKH-UHFFFAOYSA-N 2 2 322.412 3.054 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C2CC2)n1 ZINC001308218117 1111400102 /nfs/dbraw/zinc/40/01/02/1111400102.db2.gz SPCYHEUJHWIZDU-AWEZNQCLSA-N 2 2 304.463 3.422 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cc3cnccc3o2)c[nH+]1 ZINC001308223860 1111400762 /nfs/dbraw/zinc/40/07/62/1111400762.db2.gz KWLPMANRICMJPV-UHFFFAOYSA-N 2 2 304.353 3.303 20 0 DGADLP c1ccc(NCCCC[NH2+]C[C@@H]2CCOc3ccccc32)[nH+]c1 ZINC001308243829 1111403954 /nfs/dbraw/zinc/40/39/54/1111403954.db2.gz CKYBKWMDCXMRDX-INIZCTEOSA-N 2 2 311.429 3.430 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCOC3CCCCC3)c2)c[nH+]1 ZINC001308249924 1111404343 /nfs/dbraw/zinc/40/43/43/1111404343.db2.gz OFPIAPCRVHIHOH-UHFFFAOYSA-N 2 2 305.447 3.373 20 0 DGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308289947 1111411418 /nfs/dbraw/zinc/41/14/18/1111411418.db2.gz FOGXBDUMWDBNTD-PBHICJAKSA-N 2 2 319.474 3.475 20 0 DGADLP CN(C)c1cc[nH+]cc1CNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC001308509850 1111436401 /nfs/dbraw/zinc/43/64/01/1111436401.db2.gz IIAQRPNGUNBWIP-UHFFFAOYSA-N 2 2 301.781 3.289 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@H]2C1 ZINC001308552376 1111442638 /nfs/dbraw/zinc/44/26/38/1111442638.db2.gz BUBAMOZCEKYXNN-JYJNAYRXSA-N 2 2 313.470 3.240 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@H]2C1 ZINC001308552376 1111442639 /nfs/dbraw/zinc/44/26/39/1111442639.db2.gz BUBAMOZCEKYXNN-JYJNAYRXSA-N 2 2 313.470 3.240 20 0 DGADLP CC[N@@H+](Cc1cccnc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308575983 1111446283 /nfs/dbraw/zinc/44/62/83/1111446283.db2.gz OLONEQZVIDNBFY-SFHVURJKSA-N 2 2 324.472 3.008 20 0 DGADLP CC[N@H+](Cc1cccnc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308575983 1111446285 /nfs/dbraw/zinc/44/62/85/1111446285.db2.gz OLONEQZVIDNBFY-SFHVURJKSA-N 2 2 324.472 3.008 20 0 DGADLP CC[NH+](Cc1cccnc1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308575983 1111446290 /nfs/dbraw/zinc/44/62/90/1111446290.db2.gz OLONEQZVIDNBFY-SFHVURJKSA-N 2 2 324.472 3.008 20 0 DGADLP CC[NH+](Cc1cccnc1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308575983 1111446292 /nfs/dbraw/zinc/44/62/92/1111446292.db2.gz OLONEQZVIDNBFY-SFHVURJKSA-N 2 2 324.472 3.008 20 0 DGADLP Cc1cc(N[C@@H]2CCC[N@H+](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC001308636352 1111454396 /nfs/dbraw/zinc/45/43/96/1111454396.db2.gz ZGSXYZRATRJXBR-JKSUJKDBSA-N 2 2 302.466 3.275 20 0 DGADLP Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC001308636352 1111454398 /nfs/dbraw/zinc/45/43/98/1111454398.db2.gz ZGSXYZRATRJXBR-JKSUJKDBSA-N 2 2 302.466 3.275 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC3(CCCCC3)CC2)n1C ZINC001308693897 1111462275 /nfs/dbraw/zinc/46/22/75/1111462275.db2.gz UVNSDQAZRLJMOU-UHFFFAOYSA-N 2 2 304.482 3.423 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC3(CCCCC3)CC2)n1C ZINC001308693897 1111462279 /nfs/dbraw/zinc/46/22/79/1111462279.db2.gz UVNSDQAZRLJMOU-UHFFFAOYSA-N 2 2 304.482 3.423 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1F ZINC000278469829 214173247 /nfs/dbraw/zinc/17/32/47/214173247.db2.gz JSKYGABHYAZFSB-KBPBESRZSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(F)c1F ZINC000278469829 214173249 /nfs/dbraw/zinc/17/32/49/214173249.db2.gz JSKYGABHYAZFSB-KBPBESRZSA-N 2 2 312.404 3.116 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC000278485584 214184884 /nfs/dbraw/zinc/18/48/84/214184884.db2.gz AYHWUUIWPUNMQZ-UHFFFAOYSA-N 2 2 322.412 3.471 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000079000166 185144285 /nfs/dbraw/zinc/14/42/85/185144285.db2.gz OJQMRMASVWNISY-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000309707201 231101232 /nfs/dbraw/zinc/10/12/32/231101232.db2.gz IDMTYEQFEFGXIK-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000309707201 231101234 /nfs/dbraw/zinc/10/12/34/231101234.db2.gz IDMTYEQFEFGXIK-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000310015770 231110167 /nfs/dbraw/zinc/11/01/67/231110167.db2.gz NSUQGZLFZUZUNL-GOSISDBHSA-N 2 2 310.445 3.499 20 0 DGADLP Cc1cc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000310015770 231110170 /nfs/dbraw/zinc/11/01/70/231110170.db2.gz NSUQGZLFZUZUNL-GOSISDBHSA-N 2 2 310.445 3.499 20 0 DGADLP Cc1cc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000310015771 231110798 /nfs/dbraw/zinc/11/07/98/231110798.db2.gz NSUQGZLFZUZUNL-SFHVURJKSA-N 2 2 310.445 3.499 20 0 DGADLP Cc1cc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000310015771 231110801 /nfs/dbraw/zinc/11/08/01/231110801.db2.gz NSUQGZLFZUZUNL-SFHVURJKSA-N 2 2 310.445 3.499 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309573074 529447714 /nfs/dbraw/zinc/44/77/14/529447714.db2.gz COUQOAIPNWOGSE-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309573074 529447715 /nfs/dbraw/zinc/44/77/15/529447715.db2.gz COUQOAIPNWOGSE-CEXWTWQISA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cnc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000328604062 231241137 /nfs/dbraw/zinc/24/11/37/231241137.db2.gz IIBUCAAERJVHHL-HNNXBMFYSA-N 2 2 317.458 3.189 20 0 DGADLP Cc1cnc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000328604062 231241140 /nfs/dbraw/zinc/24/11/40/231241140.db2.gz IIBUCAAERJVHHL-HNNXBMFYSA-N 2 2 317.458 3.189 20 0 DGADLP Cc1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000328605753 231243071 /nfs/dbraw/zinc/24/30/71/231243071.db2.gz OZJVPLPYLWEAPV-INIZCTEOSA-N 2 2 317.458 3.189 20 0 DGADLP Cc1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000328605753 231243074 /nfs/dbraw/zinc/24/30/74/231243074.db2.gz OZJVPLPYLWEAPV-INIZCTEOSA-N 2 2 317.458 3.189 20 0 DGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423492885 529501428 /nfs/dbraw/zinc/50/14/28/529501428.db2.gz OXSITTGLEQGYRR-KBPBESRZSA-N 2 2 302.418 3.024 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000415073047 529611799 /nfs/dbraw/zinc/61/17/99/529611799.db2.gz YXCLBSNOULODIQ-KRWDZBQOSA-N 2 2 314.429 3.056 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439484263 282206995 /nfs/dbraw/zinc/20/69/95/282206995.db2.gz DUICKIQPMUSYBY-UHFFFAOYSA-N 2 2 312.392 3.260 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439484263 282206996 /nfs/dbraw/zinc/20/69/96/282206996.db2.gz DUICKIQPMUSYBY-UHFFFAOYSA-N 2 2 312.392 3.260 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000415064136 529616675 /nfs/dbraw/zinc/61/66/75/529616675.db2.gz JXQHZVNRRAMLIF-LJQANCHMSA-N 2 2 320.440 3.429 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415043542 529617289 /nfs/dbraw/zinc/61/72/89/529617289.db2.gz AOUBADGEDSZGAL-HXUWFJFHSA-N 2 2 320.440 3.224 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n[nH]1 ZINC000090530646 185300668 /nfs/dbraw/zinc/30/06/68/185300668.db2.gz CSRHDSQFPKBPRR-UKRRQHHQSA-N 2 2 323.444 3.494 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272827796 210227074 /nfs/dbraw/zinc/22/70/74/210227074.db2.gz PNAHKUJQZRBSFN-WIYYLYMNSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827796 210227077 /nfs/dbraw/zinc/22/70/77/210227077.db2.gz PNAHKUJQZRBSFN-WIYYLYMNSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272827794 210226966 /nfs/dbraw/zinc/22/69/66/210226966.db2.gz PNAHKUJQZRBSFN-RXVVDRJESA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827794 210226968 /nfs/dbraw/zinc/22/69/68/210226968.db2.gz PNAHKUJQZRBSFN-RXVVDRJESA-N 3 2 323.484 3.433 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000092588019 185327286 /nfs/dbraw/zinc/32/72/86/185327286.db2.gz VVSJTXWZYJWYNB-SJLPKXTDSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000092588019 185327287 /nfs/dbraw/zinc/32/72/87/185327287.db2.gz VVSJTXWZYJWYNB-SJLPKXTDSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000092588019 185327288 /nfs/dbraw/zinc/32/72/88/185327288.db2.gz VVSJTXWZYJWYNB-SJLPKXTDSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000092588019 185327289 /nfs/dbraw/zinc/32/72/89/185327289.db2.gz VVSJTXWZYJWYNB-SJLPKXTDSA-N 2 2 302.462 3.479 20 0 DGADLP CCc1ccc([C@H](CNCc2c[nH+]cn2C)[NH+](CC)CC)cc1 ZINC000292631517 529723842 /nfs/dbraw/zinc/72/38/42/529723842.db2.gz JORSBKQUFLVHCC-IBGZPJMESA-N 2 2 314.477 3.155 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429559414 529749634 /nfs/dbraw/zinc/74/96/34/529749634.db2.gz LFJUJFRQFVPSAY-ZDUSSCGKSA-N 2 2 322.412 3.257 20 0 DGADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1[nH+]c2cccc(F)c2n1C ZINC000443521222 529932037 /nfs/dbraw/zinc/93/20/37/529932037.db2.gz UVQHYGARJIROSV-CYBMUJFWSA-N 2 2 304.413 3.023 20 0 DGADLP CN(CC[C@H]1CCCC[N@H+]1C)c1[nH+]c2cccc(F)c2n1C ZINC000443521222 529932038 /nfs/dbraw/zinc/93/20/38/529932038.db2.gz UVQHYGARJIROSV-CYBMUJFWSA-N 2 2 304.413 3.023 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430571897 529990583 /nfs/dbraw/zinc/99/05/83/529990583.db2.gz DMZKSWVHVVQCQS-IBGZPJMESA-N 2 2 323.440 3.123 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430571897 529990584 /nfs/dbraw/zinc/99/05/84/529990584.db2.gz DMZKSWVHVVQCQS-IBGZPJMESA-N 2 2 323.440 3.123 20 0 DGADLP C[N@H+](Cc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435621731 530023281 /nfs/dbraw/zinc/02/32/81/530023281.db2.gz OILHTPHHJUQVQJ-LBPRGKRZSA-N 2 2 308.376 3.005 20 0 DGADLP C[N@@H+](Cc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435621731 530023282 /nfs/dbraw/zinc/02/32/82/530023282.db2.gz OILHTPHHJUQVQJ-LBPRGKRZSA-N 2 2 308.376 3.005 20 0 DGADLP C[N@H+](Cc1nc2ccccc2n1C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442785088 530023326 /nfs/dbraw/zinc/02/33/26/530023326.db2.gz WQVGEVZFULITJL-FUNVUKJBSA-N 2 2 320.387 3.146 20 0 DGADLP C[N@@H+](Cc1nc2ccccc2n1C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442785088 530023328 /nfs/dbraw/zinc/02/33/28/530023328.db2.gz WQVGEVZFULITJL-FUNVUKJBSA-N 2 2 320.387 3.146 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062667 530059676 /nfs/dbraw/zinc/05/96/76/530059676.db2.gz UTXFXKOKTFRCPR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062667 530059677 /nfs/dbraw/zinc/05/96/77/530059677.db2.gz UTXFXKOKTFRCPR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062667 530059678 /nfs/dbraw/zinc/05/96/78/530059678.db2.gz UTXFXKOKTFRCPR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062667 530059679 /nfs/dbraw/zinc/05/96/79/530059679.db2.gz UTXFXKOKTFRCPR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235155469 201913663 /nfs/dbraw/zinc/91/36/63/201913663.db2.gz SUDGKNBFPHYHJU-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235155469 201913667 /nfs/dbraw/zinc/91/36/67/201913667.db2.gz SUDGKNBFPHYHJU-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000272637738 210040009 /nfs/dbraw/zinc/04/00/09/210040009.db2.gz NYWCWYAATNDRLV-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000272637738 210040013 /nfs/dbraw/zinc/04/00/13/210040013.db2.gz NYWCWYAATNDRLV-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OCC ZINC000272637738 210040018 /nfs/dbraw/zinc/04/00/18/210040018.db2.gz NYWCWYAATNDRLV-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OCC ZINC000272637738 210040024 /nfs/dbraw/zinc/04/00/24/210040024.db2.gz NYWCWYAATNDRLV-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619190 210021222 /nfs/dbraw/zinc/02/12/22/210021222.db2.gz LRDKPVVKDZXOMV-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619190 210021228 /nfs/dbraw/zinc/02/12/28/210021228.db2.gz LRDKPVVKDZXOMV-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619190 210021231 /nfs/dbraw/zinc/02/12/31/210021231.db2.gz LRDKPVVKDZXOMV-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)[C@H]2C1 ZINC000272619190 210021235 /nfs/dbraw/zinc/02/12/35/210021235.db2.gz LRDKPVVKDZXOMV-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP CC(C)n1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279748113 215110993 /nfs/dbraw/zinc/11/09/93/215110993.db2.gz YFJOZHDPYZAVHM-BGYRXZFFSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279748113 215110997 /nfs/dbraw/zinc/11/09/97/215110997.db2.gz YFJOZHDPYZAVHM-BGYRXZFFSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279748113 215110998 /nfs/dbraw/zinc/11/09/98/215110998.db2.gz YFJOZHDPYZAVHM-BGYRXZFFSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279748113 215111001 /nfs/dbraw/zinc/11/10/01/215111001.db2.gz YFJOZHDPYZAVHM-BGYRXZFFSA-N 2 2 324.472 3.028 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000279909880 215229246 /nfs/dbraw/zinc/22/92/46/215229246.db2.gz LWCYLCXVXMRNQR-ZNMIVQPWSA-N 2 2 317.433 3.071 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150797594 186066578 /nfs/dbraw/zinc/06/65/78/186066578.db2.gz CCVBDCDETQGYOX-HNNXBMFYSA-N 2 2 323.278 3.367 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150797594 186066579 /nfs/dbraw/zinc/06/65/79/186066579.db2.gz CCVBDCDETQGYOX-HNNXBMFYSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+](C)C(C)(C)CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000152616519 186089782 /nfs/dbraw/zinc/08/97/82/186089782.db2.gz WDTIZHWTKFUQAP-UHFFFAOYSA-N 2 2 323.912 3.234 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)ccc1OC(F)F ZINC000155725116 186106685 /nfs/dbraw/zinc/10/66/85/186106685.db2.gz KFJUZRSFEIDFTR-SNVBAGLBSA-N 2 2 315.751 3.489 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861117 191243614 /nfs/dbraw/zinc/24/36/14/191243614.db2.gz COWWMGDLWSSDMS-OAHLLOKOSA-N 2 2 308.491 3.191 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861117 191243617 /nfs/dbraw/zinc/24/36/17/191243617.db2.gz COWWMGDLWSSDMS-OAHLLOKOSA-N 2 2 308.491 3.191 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861117 191243620 /nfs/dbraw/zinc/24/36/20/191243620.db2.gz COWWMGDLWSSDMS-OAHLLOKOSA-N 2 2 308.491 3.191 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861117 191243623 /nfs/dbraw/zinc/24/36/23/191243623.db2.gz COWWMGDLWSSDMS-OAHLLOKOSA-N 2 2 308.491 3.191 20 0 DGADLP Cn1cccc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000072889831 191248075 /nfs/dbraw/zinc/24/80/75/191248075.db2.gz FKWRHYOIVWGNFK-UHFFFAOYSA-N 2 2 317.864 3.433 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000277152473 213329697 /nfs/dbraw/zinc/32/96/97/213329697.db2.gz JROIFZBMOSMNGN-CQSZACIVSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000277152473 213329699 /nfs/dbraw/zinc/32/96/99/213329699.db2.gz JROIFZBMOSMNGN-CQSZACIVSA-N 2 2 317.408 3.397 20 0 DGADLP COc1ccc2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000067500934 432032256 /nfs/dbraw/zinc/03/22/56/432032256.db2.gz VYLYUIXXHXJWJM-OAHLLOKOSA-N 2 2 309.413 3.471 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000427600841 282932420 /nfs/dbraw/zinc/93/24/20/282932420.db2.gz VWTHBUFQWQSAEE-CQSZACIVSA-N 2 2 313.367 3.163 20 0 DGADLP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000163638427 432038500 /nfs/dbraw/zinc/03/85/00/432038500.db2.gz LOWKABWGNWRFJD-TZIWHRDSSA-N 2 2 321.468 3.439 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000179075781 432039174 /nfs/dbraw/zinc/03/91/74/432039174.db2.gz QUIXQNAEKQEQNN-NSHDSACASA-N 2 2 315.314 3.467 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000163790494 432043720 /nfs/dbraw/zinc/04/37/20/432043720.db2.gz KDAGDQBWSBCCDK-CQSZACIVSA-N 2 2 315.417 3.252 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cnccn1 ZINC000164974520 432052544 /nfs/dbraw/zinc/05/25/44/432052544.db2.gz XRYMSIWQSRXTOA-ZQIUZPCESA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cnccn1 ZINC000164974520 432052546 /nfs/dbraw/zinc/05/25/46/432052546.db2.gz XRYMSIWQSRXTOA-ZQIUZPCESA-N 2 2 316.474 3.272 20 0 DGADLP C[N@H+](CCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969171 192207448 /nfs/dbraw/zinc/20/74/48/192207448.db2.gz ASSZYBNVANRDCL-UHFFFAOYSA-N 2 2 323.484 3.263 20 0 DGADLP C[N@@H+](CCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969171 192207451 /nfs/dbraw/zinc/20/74/51/192207451.db2.gz ASSZYBNVANRDCL-UHFFFAOYSA-N 2 2 323.484 3.263 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584673 192297412 /nfs/dbraw/zinc/29/74/12/192297412.db2.gz FZIVLVSHIRWCMQ-GOSISDBHSA-N 3 2 312.461 3.036 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584673 192297414 /nfs/dbraw/zinc/29/74/14/192297414.db2.gz FZIVLVSHIRWCMQ-GOSISDBHSA-N 3 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584673 192297417 /nfs/dbraw/zinc/29/74/17/192297417.db2.gz FZIVLVSHIRWCMQ-GOSISDBHSA-N 3 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584673 192297420 /nfs/dbraw/zinc/29/74/20/192297420.db2.gz FZIVLVSHIRWCMQ-GOSISDBHSA-N 3 2 312.461 3.036 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271613 432060105 /nfs/dbraw/zinc/06/01/05/432060105.db2.gz IJLSEVAUJMQOKU-QRTARXTBSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271613 432060102 /nfs/dbraw/zinc/06/01/02/432060102.db2.gz IJLSEVAUJMQOKU-QRTARXTBSA-N 2 2 318.461 3.370 20 0 DGADLP CCCn1c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)nc2ccccc21 ZINC000237026291 202126596 /nfs/dbraw/zinc/12/65/96/202126596.db2.gz FXWBKWGHEAZETO-OAHLLOKOSA-N 2 2 311.433 3.069 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395452 432060947 /nfs/dbraw/zinc/06/09/47/432060947.db2.gz CFBWWXBNBSJCTC-KVPLUYHFSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395452 432060949 /nfs/dbraw/zinc/06/09/49/432060949.db2.gz CFBWWXBNBSJCTC-KVPLUYHFSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000166395452 432060951 /nfs/dbraw/zinc/06/09/51/432060951.db2.gz CFBWWXBNBSJCTC-KVPLUYHFSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000166395452 432060953 /nfs/dbraw/zinc/06/09/53/432060953.db2.gz CFBWWXBNBSJCTC-KVPLUYHFSA-N 3 2 315.505 3.112 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000237019942 202126255 /nfs/dbraw/zinc/12/62/55/202126255.db2.gz IIXYUUZZTSFBHH-UHFFFAOYSA-N 2 2 300.450 3.020 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395964 432061349 /nfs/dbraw/zinc/06/13/49/432061349.db2.gz JCFDWRDAYQBYBE-BXWFABGCSA-N 2 2 312.461 3.065 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395964 432061351 /nfs/dbraw/zinc/06/13/51/432061351.db2.gz JCFDWRDAYQBYBE-BXWFABGCSA-N 2 2 312.461 3.065 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405322 432065442 /nfs/dbraw/zinc/06/54/42/432065442.db2.gz MELLNKQFYXSJKA-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405322 432065443 /nfs/dbraw/zinc/06/54/43/432065443.db2.gz MELLNKQFYXSJKA-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655279 432069628 /nfs/dbraw/zinc/06/96/28/432069628.db2.gz UYSJQQJHNFYCSQ-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655279 432069630 /nfs/dbraw/zinc/06/96/30/432069630.db2.gz UYSJQQJHNFYCSQ-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654609 432069754 /nfs/dbraw/zinc/06/97/54/432069754.db2.gz LPWIFJHQXWUBBI-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654609 432069755 /nfs/dbraw/zinc/06/97/55/432069755.db2.gz LPWIFJHQXWUBBI-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CCOC1 ZINC000179841777 432071938 /nfs/dbraw/zinc/07/19/38/432071938.db2.gz AEERTFSSZMRKCY-JKSUJKDBSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@@H+]1C ZINC000179552178 199054393 /nfs/dbraw/zinc/05/43/93/199054393.db2.gz ALNZXPODBGRDTB-YJLNNSPDSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@H+]1C ZINC000179552178 199054395 /nfs/dbraw/zinc/05/43/95/199054395.db2.gz ALNZXPODBGRDTB-YJLNNSPDSA-N 2 2 313.420 3.382 20 0 DGADLP Cc1[nH+]cc(CN2CCC([NH2+]C(C)C)CC2)n1-c1ccccc1 ZINC000179834658 199085764 /nfs/dbraw/zinc/08/57/64/199085764.db2.gz SURBSXISDOANGH-UHFFFAOYSA-N 2 2 312.461 3.143 20 0 DGADLP CCCOc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1OC ZINC000179836331 199086325 /nfs/dbraw/zinc/08/63/25/199086325.db2.gz GMORVVOFNMVDLL-UHFFFAOYSA-N 2 2 320.477 3.446 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CC[NH2+]CC1 ZINC000237377551 202247845 /nfs/dbraw/zinc/24/78/45/202247845.db2.gz SZSMLKNEFRNLOW-ZDUSSCGKSA-N 2 2 312.417 3.041 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414850915 236903817 /nfs/dbraw/zinc/90/38/17/236903817.db2.gz ITPQCUUSYCUVKI-OCCSQVGLSA-N 2 2 319.449 3.427 20 0 DGADLP Fc1ccccc1CC(Cc1ccccc1F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414865964 236921555 /nfs/dbraw/zinc/92/15/55/236921555.db2.gz DPBHXFQJYUCTLG-MRXNPFEDSA-N 2 2 316.395 3.070 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832274 236894250 /nfs/dbraw/zinc/89/42/50/236894250.db2.gz OHPRLTVWQYPQEZ-RTBURBONSA-N 2 2 316.420 3.063 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415052244 237038196 /nfs/dbraw/zinc/03/81/96/237038196.db2.gz MWMCJAAKMXKEBJ-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415052244 237038198 /nfs/dbraw/zinc/03/81/98/237038198.db2.gz MWMCJAAKMXKEBJ-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000415130652 237099193 /nfs/dbraw/zinc/09/91/93/237099193.db2.gz RDVUANYQGIISCQ-VXGBXAGGSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000415130652 237099200 /nfs/dbraw/zinc/09/92/00/237099200.db2.gz RDVUANYQGIISCQ-VXGBXAGGSA-N 2 2 307.488 3.288 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000415110961 237085530 /nfs/dbraw/zinc/08/55/30/237085530.db2.gz PUMQSYMSXVJSDV-SFHVURJKSA-N 2 2 314.404 3.042 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000415110961 237085539 /nfs/dbraw/zinc/08/55/39/237085539.db2.gz PUMQSYMSXVJSDV-SFHVURJKSA-N 2 2 314.404 3.042 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@@H]1C[NH3+] ZINC000415123248 237093531 /nfs/dbraw/zinc/09/35/31/237093531.db2.gz JHMKUWWGKMUQKI-HIFRSBDPSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@@H]1C[NH3+] ZINC000415123248 237093538 /nfs/dbraw/zinc/09/35/38/237093538.db2.gz JHMKUWWGKMUQKI-HIFRSBDPSA-N 2 2 301.459 3.227 20 0 DGADLP Cc1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(C)[nH+]1 ZINC000415288551 237165984 /nfs/dbraw/zinc/16/59/84/237165984.db2.gz XFIHFLQADGKGPD-QGZVFWFLSA-N 2 2 312.417 3.300 20 0 DGADLP C[C@@H](SCCn1cc[nH+]c1)[C@H](C)SCCn1cc[nH+]c1 ZINC000188195337 200207335 /nfs/dbraw/zinc/20/73/35/200207335.db2.gz UZUSZKFUJWPZEO-OKILXGFUSA-N 2 2 310.492 3.023 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000422706043 296000423 /nfs/dbraw/zinc/00/04/23/296000423.db2.gz SRYQDYKVKOTTGX-IRXDYDNUSA-N 3 2 304.482 3.174 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000180428649 432086540 /nfs/dbraw/zinc/08/65/40/432086540.db2.gz KKBGCWKZGSITMB-QGZVFWFLSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000180428649 432086543 /nfs/dbraw/zinc/08/65/43/432086543.db2.gz KKBGCWKZGSITMB-QGZVFWFLSA-N 2 2 322.880 3.193 20 0 DGADLP C[C@H]1CC[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550563 200264626 /nfs/dbraw/zinc/26/46/26/200264626.db2.gz JZVVSXVXPBUSIR-QFBILLFUSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550563 200264628 /nfs/dbraw/zinc/26/46/28/200264628.db2.gz JZVVSXVXPBUSIR-QFBILLFUSA-N 2 2 302.462 3.150 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@H]4CCCO4)CC3)cc2)c[nH+]1 ZINC000189114838 200350831 /nfs/dbraw/zinc/35/08/31/200350831.db2.gz WJKNVCHAFBPBJW-LJQANCHMSA-N 2 2 311.429 3.263 20 0 DGADLP COC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000423265712 237837032 /nfs/dbraw/zinc/83/70/32/237837032.db2.gz RGBPYNUTBNAHEF-CABCVRRESA-N 2 2 318.383 3.356 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134911380 432088855 /nfs/dbraw/zinc/08/88/55/432088855.db2.gz JZUSGCLPEDJRSW-SQWLQELKSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134911380 432088857 /nfs/dbraw/zinc/08/88/57/432088857.db2.gz JZUSGCLPEDJRSW-SQWLQELKSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134911380 432088859 /nfs/dbraw/zinc/08/88/59/432088859.db2.gz JZUSGCLPEDJRSW-SQWLQELKSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134911380 432088861 /nfs/dbraw/zinc/08/88/61/432088861.db2.gz JZUSGCLPEDJRSW-SQWLQELKSA-N 2 2 318.465 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449680056 240362868 /nfs/dbraw/zinc/36/28/68/240362868.db2.gz FRKJQTWLSOVLGN-RLLQIKCJSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000449680056 240362862 /nfs/dbraw/zinc/36/28/62/240362862.db2.gz FRKJQTWLSOVLGN-RLLQIKCJSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427891576 238004851 /nfs/dbraw/zinc/00/48/51/238004851.db2.gz LQUJZZFZGGWYSL-RYUDHWBXSA-N 2 2 307.344 3.150 20 0 DGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427888750 238004901 /nfs/dbraw/zinc/00/49/01/238004901.db2.gz DTTABYZHOVXQGB-STQMWFEESA-N 2 2 321.371 3.459 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428040351 238007476 /nfs/dbraw/zinc/00/74/76/238007476.db2.gz JWLZWZSHODRIBE-QAPCUYQASA-N 2 2 309.413 3.058 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428040351 238007477 /nfs/dbraw/zinc/00/74/77/238007477.db2.gz JWLZWZSHODRIBE-QAPCUYQASA-N 2 2 309.413 3.058 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428048500 238007683 /nfs/dbraw/zinc/00/76/83/238007683.db2.gz JDVUDMLHWVSYKF-FZMZJTMJSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428048500 238007685 /nfs/dbraw/zinc/00/76/85/238007685.db2.gz JDVUDMLHWVSYKF-FZMZJTMJSA-N 2 2 315.244 3.056 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2nnc(C(C)C)s2)c[nH+]1 ZINC000430113405 238067422 /nfs/dbraw/zinc/06/74/22/238067422.db2.gz KQIYRNXVLQTIIE-UHFFFAOYSA-N 2 2 304.463 3.130 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)cc1 ZINC000430557884 238079792 /nfs/dbraw/zinc/07/97/92/238079792.db2.gz UHUBMTVAQCJOHC-KRWDZBQOSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430569603 238080045 /nfs/dbraw/zinc/08/00/45/238080045.db2.gz LXDWUQNNCCWUJI-NSHDSACASA-N 2 2 310.392 3.409 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430569603 238080046 /nfs/dbraw/zinc/08/00/46/238080046.db2.gz LXDWUQNNCCWUJI-NSHDSACASA-N 2 2 310.392 3.409 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000430744035 238085451 /nfs/dbraw/zinc/08/54/51/238085451.db2.gz QPTFFMNZBHXQOP-IAGOWNOFSA-N 2 2 312.417 3.109 20 0 DGADLP Fc1cccc2c1OCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000434622373 238221453 /nfs/dbraw/zinc/22/14/53/238221453.db2.gz DEXQLYJVADOASH-UHFFFAOYSA-N 2 2 323.371 3.406 20 0 DGADLP Fc1cccc2c1OCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000434622373 238221458 /nfs/dbraw/zinc/22/14/58/238221458.db2.gz DEXQLYJVADOASH-UHFFFAOYSA-N 2 2 323.371 3.406 20 0 DGADLP Cc1ccc(C)c(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)c1 ZINC000434658353 238224957 /nfs/dbraw/zinc/22/49/57/238224957.db2.gz CUICYTHOUHQFDO-UHFFFAOYSA-N 2 2 301.459 3.350 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000271918339 209322259 /nfs/dbraw/zinc/32/22/59/209322259.db2.gz ZISUWAPHBSXQBO-ZWKOTPCHSA-N 2 2 313.445 3.225 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](C)C[C@H]3c3ccccc3)n21 ZINC000434993422 238264627 /nfs/dbraw/zinc/26/46/27/238264627.db2.gz YYPKCQFVRUZUJB-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](C)C[C@H]3c3ccccc3)n21 ZINC000434993422 238264629 /nfs/dbraw/zinc/26/46/29/238264629.db2.gz YYPKCQFVRUZUJB-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP Clc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000435231000 238285104 /nfs/dbraw/zinc/28/51/04/238285104.db2.gz SMEWEAOWQISFKZ-CQSZACIVSA-N 2 2 301.821 3.215 20 0 DGADLP Clc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000435231000 238285107 /nfs/dbraw/zinc/28/51/07/238285107.db2.gz SMEWEAOWQISFKZ-CQSZACIVSA-N 2 2 301.821 3.215 20 0 DGADLP c1cc2[nH+]ccc(NC[C@H]3CCC[N@@H+]3C3CCCCC3)c2cn1 ZINC000435584931 238322383 /nfs/dbraw/zinc/32/23/83/238322383.db2.gz OSCDHLNWGHHYCT-MRXNPFEDSA-N 2 2 310.445 3.261 20 0 DGADLP c1cc2[nH+]ccc(NC[C@H]3CCC[N@H+]3C3CCCCC3)c2cn1 ZINC000435584931 238322388 /nfs/dbraw/zinc/32/23/88/238322388.db2.gz OSCDHLNWGHHYCT-MRXNPFEDSA-N 2 2 310.445 3.261 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)CC[C@@H](C)[NH3+])cc3)[nH+]c12 ZINC000193301734 201024945 /nfs/dbraw/zinc/02/49/45/201024945.db2.gz KRWNWXXOQFUZIW-CQSZACIVSA-N 2 2 322.412 3.376 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[nH+]c1 ZINC000194020133 201163455 /nfs/dbraw/zinc/16/34/55/201163455.db2.gz KPCGVGUDAIJPBC-KBAYOESNSA-N 2 2 315.461 3.211 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000194088876 201175990 /nfs/dbraw/zinc/17/59/90/201175990.db2.gz AYFGGRADOADZJE-KRWDZBQOSA-N 2 2 310.869 3.490 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000180698461 432097597 /nfs/dbraw/zinc/09/75/97/432097597.db2.gz RWLLCGMTNLWUCU-VXIBKDFQSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000180698461 432097600 /nfs/dbraw/zinc/09/76/00/432097600.db2.gz RWLLCGMTNLWUCU-VXIBKDFQSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758607 239121383 /nfs/dbraw/zinc/12/13/83/239121383.db2.gz PDYSKWKUDHSPOL-ZBFHGGJFSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758607 239121387 /nfs/dbraw/zinc/12/13/87/239121387.db2.gz PDYSKWKUDHSPOL-ZBFHGGJFSA-N 2 2 315.486 3.097 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)N[C@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000443195645 239183504 /nfs/dbraw/zinc/18/35/04/239183504.db2.gz JCTNJMWEESNICP-INMHGKMJSA-N 2 2 300.450 3.071 20 0 DGADLP C[C@H](CNc1cc[nH+]c2c(Br)cccc12)[NH+](C)C ZINC000443448683 239201782 /nfs/dbraw/zinc/20/17/82/239201782.db2.gz UVPINDUZWBRMRX-SNVBAGLBSA-N 2 2 308.223 3.359 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CSC[C@H]1C)c1cccc(OC)c1 ZINC000449069448 240002001 /nfs/dbraw/zinc/00/20/01/240002001.db2.gz XCKANCKILQHGBK-FHLIZLRMSA-N 2 2 322.518 3.419 20 0 DGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000449074635 240003615 /nfs/dbraw/zinc/00/36/15/240003615.db2.gz LBDPCYUEYRTILA-SFHVURJKSA-N 2 2 311.429 3.123 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)n(C2CCCC2)n1 ZINC000449100815 240017620 /nfs/dbraw/zinc/01/76/20/240017620.db2.gz XPFBCPKSRHDHSF-UHFFFAOYSA-N 2 2 302.466 3.105 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCc2cccc(C)c2)CC1 ZINC000449155434 240042716 /nfs/dbraw/zinc/04/27/16/240042716.db2.gz PTBXCNHKMUJJHU-UHFFFAOYSA-N 2 2 304.478 3.017 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449090676 240012231 /nfs/dbraw/zinc/01/22/31/240012231.db2.gz ODSVQVDIWPGLEI-UHFFFAOYSA-N 2 2 304.482 3.351 20 0 DGADLP COc1cc(F)cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000449165545 240046052 /nfs/dbraw/zinc/04/60/52/240046052.db2.gz AANDNCRVKQSXKI-AWEZNQCLSA-N 2 2 303.381 3.006 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc2ccccc21 ZINC000449196097 240062774 /nfs/dbraw/zinc/06/27/74/240062774.db2.gz RMEFFDYCAUZAHG-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc2ccccc21 ZINC000449196097 240062778 /nfs/dbraw/zinc/06/27/78/240062778.db2.gz RMEFFDYCAUZAHG-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449224023 240077872 /nfs/dbraw/zinc/07/78/72/240077872.db2.gz GVCUUYICSOORLB-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449224023 240077875 /nfs/dbraw/zinc/07/78/75/240077875.db2.gz GVCUUYICSOORLB-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000449350926 240149904 /nfs/dbraw/zinc/14/99/04/240149904.db2.gz MBRVQCGULLWFIX-ZIAGYGMSSA-N 2 2 319.836 3.430 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394791 240174215 /nfs/dbraw/zinc/17/42/15/240174215.db2.gz GRLBSXCCTWOTHU-PKOBYXMFSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394791 240174217 /nfs/dbraw/zinc/17/42/17/240174217.db2.gz GRLBSXCCTWOTHU-PKOBYXMFSA-N 2 2 323.484 3.469 20 0 DGADLP Cc1cccn2c(C[NH2+]Cc3ccnc(C(F)(F)F)c3)c[nH+]c12 ZINC000449436468 240204495 /nfs/dbraw/zinc/20/44/95/240204495.db2.gz FQVFCBMUUZMEDA-UHFFFAOYSA-N 2 2 320.318 3.346 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000449485047 240234978 /nfs/dbraw/zinc/23/49/78/240234978.db2.gz KMMHPYNFVYMRNG-RYUDHWBXSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000449485047 240234980 /nfs/dbraw/zinc/23/49/80/240234980.db2.gz KMMHPYNFVYMRNG-RYUDHWBXSA-N 2 2 312.816 3.073 20 0 DGADLP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449502294 240252102 /nfs/dbraw/zinc/25/21/02/240252102.db2.gz WRZLHFUIJQWEKP-OAHLLOKOSA-N 2 2 309.404 3.071 20 0 DGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCC1 ZINC000449740944 240395568 /nfs/dbraw/zinc/39/55/68/240395568.db2.gz RXIKGPARQJQAGS-GOSISDBHSA-N 2 2 322.880 3.055 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(-c2ccccc2)nc1C ZINC000091892356 193122634 /nfs/dbraw/zinc/12/26/34/193122634.db2.gz BVWNIOXPNPOMJK-QUCCMNQESA-N 2 2 324.472 3.239 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(-c2ccccc2)nc1C ZINC000091892356 193122636 /nfs/dbraw/zinc/12/26/36/193122636.db2.gz BVWNIOXPNPOMJK-QUCCMNQESA-N 2 2 324.472 3.239 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2ccccc2)nc1C ZINC000091892356 193122637 /nfs/dbraw/zinc/12/26/37/193122637.db2.gz BVWNIOXPNPOMJK-QUCCMNQESA-N 2 2 324.472 3.239 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(-c2ccccc2)nc1C ZINC000091892356 193122639 /nfs/dbraw/zinc/12/26/39/193122639.db2.gz BVWNIOXPNPOMJK-QUCCMNQESA-N 2 2 324.472 3.239 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000092043511 193145264 /nfs/dbraw/zinc/14/52/64/193145264.db2.gz YRSOXTZMGBBKDG-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000092043511 193145266 /nfs/dbraw/zinc/14/52/66/193145266.db2.gz YRSOXTZMGBBKDG-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000092043511 193145268 /nfs/dbraw/zinc/14/52/68/193145268.db2.gz YRSOXTZMGBBKDG-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000092043511 193145269 /nfs/dbraw/zinc/14/52/69/193145269.db2.gz YRSOXTZMGBBKDG-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000451473135 241134331 /nfs/dbraw/zinc/13/43/31/241134331.db2.gz VKNRZWNQLIXOGR-RCCFBDPRSA-N 2 2 311.429 3.084 20 0 DGADLP c1cn(CCC[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c[nH+]1 ZINC000451879694 241265093 /nfs/dbraw/zinc/26/50/93/241265093.db2.gz SFYSHEZZHPELQA-KRWDZBQOSA-N 2 2 309.417 3.377 20 0 DGADLP c1cn(CCC[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c[nH+]1 ZINC000451879694 241265096 /nfs/dbraw/zinc/26/50/96/241265096.db2.gz SFYSHEZZHPELQA-KRWDZBQOSA-N 2 2 309.417 3.377 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451957666 241283912 /nfs/dbraw/zinc/28/39/12/241283912.db2.gz JNRZCMYVIOAGTH-UHFFFAOYSA-N 2 2 319.399 3.424 20 0 DGADLP Clc1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000453094371 241624052 /nfs/dbraw/zinc/62/40/52/241624052.db2.gz RSANPJMXYOOOCX-QZTJIDSGSA-N 2 2 322.880 3.116 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000453290473 241708721 /nfs/dbraw/zinc/70/87/21/241708721.db2.gz NGRJXGGJQRJHKA-PMACEKPBSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000453290473 241708732 /nfs/dbraw/zinc/70/87/32/241708732.db2.gz NGRJXGGJQRJHKA-PMACEKPBSA-N 2 2 316.489 3.354 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC([NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC000455490236 242214931 /nfs/dbraw/zinc/21/49/31/242214931.db2.gz WQQZBVCDBYAJSJ-UHFFFAOYSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)[nH+]1 ZINC000455487055 242215076 /nfs/dbraw/zinc/21/50/76/242215076.db2.gz SCPXSBLOJKXNPS-HNNXBMFYSA-N 2 2 320.481 3.495 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455498592 242218120 /nfs/dbraw/zinc/21/81/20/242218120.db2.gz ROYCCSVSKQKHPA-MRXNPFEDSA-N 2 2 318.465 3.106 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455498592 242218124 /nfs/dbraw/zinc/21/81/24/242218124.db2.gz ROYCCSVSKQKHPA-MRXNPFEDSA-N 2 2 318.465 3.106 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(C)[nH+]1 ZINC000455513572 242222776 /nfs/dbraw/zinc/22/27/76/242222776.db2.gz IZZQUUUJHGSIDV-UHFFFAOYSA-N 2 2 318.465 3.250 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)c(C)[nH+]1 ZINC000455513572 242222779 /nfs/dbraw/zinc/22/27/79/242222779.db2.gz IZZQUUUJHGSIDV-UHFFFAOYSA-N 2 2 318.465 3.250 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246286658 432114760 /nfs/dbraw/zinc/11/47/60/432114760.db2.gz MYZMAABEBCGBBG-AEFFLSMTSA-N 2 2 300.446 3.073 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246286658 432114764 /nfs/dbraw/zinc/11/47/64/432114764.db2.gz MYZMAABEBCGBBG-AEFFLSMTSA-N 2 2 300.446 3.073 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CC2)CCOCC1)c1ccccc1 ZINC000177359210 296112713 /nfs/dbraw/zinc/11/27/13/296112713.db2.gz NZAPVKWRUMXQKZ-JKSUJKDBSA-N 2 2 302.462 3.275 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CCO1 ZINC000459323588 243333718 /nfs/dbraw/zinc/33/37/18/243333718.db2.gz IUPFOGDHMDUXPF-MRXNPFEDSA-N 2 2 314.473 3.249 20 0 DGADLP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000459335173 243340453 /nfs/dbraw/zinc/34/04/53/243340453.db2.gz HGXFZDVLKZLUHR-SFHVURJKSA-N 2 2 314.473 3.108 20 0 DGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000459335173 243340456 /nfs/dbraw/zinc/34/04/56/243340456.db2.gz HGXFZDVLKZLUHR-SFHVURJKSA-N 2 2 314.473 3.108 20 0 DGADLP COCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000510990821 294398491 /nfs/dbraw/zinc/39/84/91/294398491.db2.gz FAAUVKQTVWBPST-CQSZACIVSA-N 2 2 324.431 3.444 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459408293 243361384 /nfs/dbraw/zinc/36/13/84/243361384.db2.gz LNWZXTOUEOYATM-AWEZNQCLSA-N 2 2 323.362 3.471 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000459408293 243361387 /nfs/dbraw/zinc/36/13/87/243361387.db2.gz LNWZXTOUEOYATM-AWEZNQCLSA-N 2 2 323.362 3.471 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000459436503 243367689 /nfs/dbraw/zinc/36/76/89/243367689.db2.gz WXKKHSUBOPMATR-UHFFFAOYSA-N 2 2 305.372 3.120 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000468963002 244076459 /nfs/dbraw/zinc/07/64/59/244076459.db2.gz MHNHILZUCWVTSP-CEXWTWQISA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000468963002 244076462 /nfs/dbraw/zinc/07/64/62/244076462.db2.gz MHNHILZUCWVTSP-CEXWTWQISA-N 3 2 309.542 3.063 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1Br ZINC000469063240 244082658 /nfs/dbraw/zinc/08/26/58/244082658.db2.gz VOCQGRVBONYZPX-TZMCWYRMSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1Br ZINC000469063240 244082662 /nfs/dbraw/zinc/08/26/62/244082662.db2.gz VOCQGRVBONYZPX-TZMCWYRMSA-N 2 2 311.267 3.187 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000469866025 244130170 /nfs/dbraw/zinc/13/01/70/244130170.db2.gz LOULBSGFZVXLDD-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000469866025 244130173 /nfs/dbraw/zinc/13/01/73/244130173.db2.gz LOULBSGFZVXLDD-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469854350 244130467 /nfs/dbraw/zinc/13/04/67/244130467.db2.gz SABXNHVLTHSWDC-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469854350 244130472 /nfs/dbraw/zinc/13/04/72/244130472.db2.gz SABXNHVLTHSWDC-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852900 244127294 /nfs/dbraw/zinc/12/72/94/244127294.db2.gz IOMYQPUPPADWEN-VXGBXAGGSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852900 244127298 /nfs/dbraw/zinc/12/72/98/244127298.db2.gz IOMYQPUPPADWEN-VXGBXAGGSA-N 2 2 305.422 3.118 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccco2)nc(C(C)C)[nH+]1 ZINC000471750352 244240115 /nfs/dbraw/zinc/24/01/15/244240115.db2.gz OGIWDCKBNFXXIE-UHFFFAOYSA-N 2 2 302.422 3.070 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029912 212083114 /nfs/dbraw/zinc/08/31/14/212083114.db2.gz BUJPJVCERCFQLC-HNAYVOBHSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029912 212083116 /nfs/dbraw/zinc/08/31/16/212083116.db2.gz BUJPJVCERCFQLC-HNAYVOBHSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000093371031 193239877 /nfs/dbraw/zinc/23/98/77/193239877.db2.gz QEWRUEJAYHKFRD-GFCCVEGCSA-N 2 2 305.491 3.299 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397055 193243786 /nfs/dbraw/zinc/24/37/86/193243786.db2.gz COSYDOVTXKAOFP-OLZOCXBDSA-N 2 2 305.491 3.157 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397055 193243787 /nfs/dbraw/zinc/24/37/87/193243787.db2.gz COSYDOVTXKAOFP-OLZOCXBDSA-N 2 2 305.491 3.157 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563996 193269349 /nfs/dbraw/zinc/26/93/49/193269349.db2.gz YVODPOZWRKLFJK-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563996 193269352 /nfs/dbraw/zinc/26/93/52/193269352.db2.gz YVODPOZWRKLFJK-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1F)CC(C)(C)C[NH3+] ZINC000093873181 193320505 /nfs/dbraw/zinc/32/05/05/193320505.db2.gz AISKATYATQZYNN-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1F)CC(C)(C)C[NH3+] ZINC000093873181 193320507 /nfs/dbraw/zinc/32/05/07/193320507.db2.gz AISKATYATQZYNN-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488345706 245177916 /nfs/dbraw/zinc/17/79/16/245177916.db2.gz JZQVGHFOQPEBNH-KRWDZBQOSA-N 2 2 312.392 3.477 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488345706 245177922 /nfs/dbraw/zinc/17/79/22/245177922.db2.gz JZQVGHFOQPEBNH-KRWDZBQOSA-N 2 2 312.392 3.477 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000248647842 299422527 /nfs/dbraw/zinc/42/25/27/299422527.db2.gz UCOJQVAXXFJKNY-FNHZYXHNSA-N 2 2 312.461 3.079 20 0 DGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490069776 245378435 /nfs/dbraw/zinc/37/84/35/245378435.db2.gz YWOCDUUZBKEBSG-KRWDZBQOSA-N 2 2 310.844 3.487 20 0 DGADLP Fc1cccc(Cl)c1CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490069776 245378437 /nfs/dbraw/zinc/37/84/37/245378437.db2.gz YWOCDUUZBKEBSG-KRWDZBQOSA-N 2 2 310.844 3.487 20 0 DGADLP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000282473051 217021414 /nfs/dbraw/zinc/02/14/14/217021414.db2.gz GPRMWXMVVXAEIP-OAHLLOKOSA-N 2 2 323.431 3.461 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1F ZINC000246392031 432127299 /nfs/dbraw/zinc/12/72/99/432127299.db2.gz AYHVWSJRKZGHJQ-MGPQQGTHSA-N 2 2 312.404 3.115 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000268763159 432127936 /nfs/dbraw/zinc/12/79/36/432127936.db2.gz IGEGPWDLNKDAKU-ULQDDVLXSA-N 2 2 316.445 3.125 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000268763159 432127940 /nfs/dbraw/zinc/12/79/40/432127940.db2.gz IGEGPWDLNKDAKU-ULQDDVLXSA-N 2 2 316.445 3.125 20 0 DGADLP CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OCC ZINC000271680191 209121163 /nfs/dbraw/zinc/12/11/63/209121163.db2.gz JSCVAMDLDQHFNH-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OCC ZINC000271680191 209121169 /nfs/dbraw/zinc/12/11/69/209121169.db2.gz JSCVAMDLDQHFNH-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266303531 205249969 /nfs/dbraw/zinc/24/99/69/205249969.db2.gz CBLXHKJZWYLRCX-LPHOPBHVSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266303531 205249973 /nfs/dbraw/zinc/24/99/73/205249973.db2.gz CBLXHKJZWYLRCX-LPHOPBHVSA-N 2 2 310.441 3.187 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCOC)c1cccc(OC)c1 ZINC000268773461 432130630 /nfs/dbraw/zinc/13/06/30/432130630.db2.gz USHWCKZDAKMINQ-QAPCUYQASA-N 2 2 308.466 3.093 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)ccc1F ZINC000019942773 182168433 /nfs/dbraw/zinc/16/84/33/182168433.db2.gz POOCICXZUJYNAL-UHFFFAOYSA-N 2 2 317.246 3.410 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000019983759 182174010 /nfs/dbraw/zinc/17/40/10/182174010.db2.gz WTIJZMNNMRTYAJ-LBPRGKRZSA-N 2 2 302.340 3.332 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781990 432132522 /nfs/dbraw/zinc/13/25/22/432132522.db2.gz PZPDGBSZDZFEHO-UAGQMJEPSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781990 432132525 /nfs/dbraw/zinc/13/25/25/432132525.db2.gz PZPDGBSZDZFEHO-UAGQMJEPSA-N 2 2 316.445 3.125 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCc4ccccc4OC3)[nH]c2c1 ZINC000493946080 246099254 /nfs/dbraw/zinc/09/92/54/246099254.db2.gz XDGQNIODZCXVSK-INIZCTEOSA-N 2 2 321.424 3.479 20 0 DGADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061202 246108684 /nfs/dbraw/zinc/10/86/84/246108684.db2.gz UWEIUSGSIREJDE-SNRMKQJTSA-N 2 2 316.489 3.226 20 0 DGADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061202 246108689 /nfs/dbraw/zinc/10/86/89/246108689.db2.gz UWEIUSGSIREJDE-SNRMKQJTSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494390357 246142955 /nfs/dbraw/zinc/14/29/55/246142955.db2.gz GJIBGTWMQXZDDY-AWEZNQCLSA-N 2 2 320.234 3.059 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C(F)(F)F ZINC000494410320 246144015 /nfs/dbraw/zinc/14/40/15/246144015.db2.gz JSRHVORTTBXDRC-NSHDSACASA-N 2 2 313.298 3.146 20 0 DGADLP Clc1cccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267490884 206102290 /nfs/dbraw/zinc/10/22/90/206102290.db2.gz NVCMCGYHYJMPFI-UHFFFAOYSA-N 2 2 305.809 3.322 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787523 291595040 /nfs/dbraw/zinc/59/50/40/291595040.db2.gz RLATZWDHAOILJQ-LXIYXOSZSA-N 2 2 316.424 3.111 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c2ccccc12 ZINC000495105761 246235270 /nfs/dbraw/zinc/23/52/70/246235270.db2.gz CQDOCKOAPBYTTA-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c2ccccc12 ZINC000495105761 246235275 /nfs/dbraw/zinc/23/52/75/246235275.db2.gz CQDOCKOAPBYTTA-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c2ccccc12 ZINC000495105761 246235279 /nfs/dbraw/zinc/23/52/79/246235279.db2.gz CQDOCKOAPBYTTA-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c2ccccc12 ZINC000495105761 246235282 /nfs/dbraw/zinc/23/52/82/246235282.db2.gz CQDOCKOAPBYTTA-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C ZINC000496247926 246370387 /nfs/dbraw/zinc/37/03/87/246370387.db2.gz VAJVNHZPIVKLRK-CQSZACIVSA-N 2 2 321.465 3.073 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CCNC(=O)OC(C)(C)C ZINC000496057754 246346576 /nfs/dbraw/zinc/34/65/76/246346576.db2.gz PSAXMCYJIUWBHN-OAHLLOKOSA-N 2 2 321.465 3.216 20 0 DGADLP CC1(C)[C@@H]([NH2+]CCCCNc2cccc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC000181672681 432141217 /nfs/dbraw/zinc/14/12/17/432141217.db2.gz SYHXNTOOHTXFGC-XIRDDKMYSA-N 2 2 303.450 3.067 20 0 DGADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000268837251 432144571 /nfs/dbraw/zinc/14/45/71/432144571.db2.gz NRKCBSGEZHZMOQ-OALUTQOASA-N 2 2 322.456 3.276 20 0 DGADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000268837251 432144573 /nfs/dbraw/zinc/14/45/73/432144573.db2.gz NRKCBSGEZHZMOQ-OALUTQOASA-N 2 2 322.456 3.276 20 0 DGADLP Clc1ccc2[nH+]ccc(NCCC[NH+]3CCOCC3)c2c1 ZINC000041474801 183193847 /nfs/dbraw/zinc/19/38/47/183193847.db2.gz MMIARZFNNVCBJJ-UHFFFAOYSA-N 2 2 305.809 3.022 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1sccc1Br ZINC000043674710 183378386 /nfs/dbraw/zinc/37/83/86/183378386.db2.gz XCXOVASAKDGEGY-UHFFFAOYSA-N 2 2 305.285 3.332 20 0 DGADLP CCC[NH+](CCC)CCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000274041794 211299911 /nfs/dbraw/zinc/29/99/11/211299911.db2.gz ZLORYZVFPSHMIL-UHFFFAOYSA-N 2 2 316.449 3.418 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000104720084 194030794 /nfs/dbraw/zinc/03/07/94/194030794.db2.gz SUBJCFLEIJHWNX-AWEZNQCLSA-N 2 2 315.392 3.113 20 0 DGADLP Oc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000105487403 194106077 /nfs/dbraw/zinc/10/60/77/194106077.db2.gz ZYLLWYSBDHIMTF-SFHVURJKSA-N 2 2 305.381 3.355 20 0 DGADLP Fc1ccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109794731 194286732 /nfs/dbraw/zinc/28/67/32/194286732.db2.gz OWZRTUSXAXKTKI-UHFFFAOYSA-N 2 2 303.381 3.128 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268840574 207006243 /nfs/dbraw/zinc/00/62/43/207006243.db2.gz UEYPRWZKXMWGRD-KEYYUXOJSA-N 2 2 318.461 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268840574 207006247 /nfs/dbraw/zinc/00/62/47/207006247.db2.gz UEYPRWZKXMWGRD-KEYYUXOJSA-N 2 2 318.461 3.146 20 0 DGADLP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268879126 207048927 /nfs/dbraw/zinc/04/89/27/207048927.db2.gz JSNCVAOLXDFVRS-SFHVURJKSA-N 2 2 324.896 3.301 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000268885540 207054980 /nfs/dbraw/zinc/05/49/80/207054980.db2.gz NXBRKTNYEPMEDZ-MRXNPFEDSA-N 2 2 308.853 3.073 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000268903009 207071224 /nfs/dbraw/zinc/07/12/24/207071224.db2.gz PEWHYGOHRVDLGR-TXPKVOOTSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnn(C)c1 ZINC000268903009 207071226 /nfs/dbraw/zinc/07/12/26/207071226.db2.gz PEWHYGOHRVDLGR-TXPKVOOTSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H](O)C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268992541 207149500 /nfs/dbraw/zinc/14/95/00/207149500.db2.gz MXQBCTLBRBLSDD-GJZGRUSLSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269068458 207214827 /nfs/dbraw/zinc/21/48/27/207214827.db2.gz WLBBWTWHLOAOGT-HNNXBMFYSA-N 2 2 301.434 3.322 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3)[nH+]c2)CC1 ZINC000269142761 207271507 /nfs/dbraw/zinc/27/15/07/207271507.db2.gz NCGVTGHZUIRGNM-UHFFFAOYSA-N 2 2 310.445 3.224 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000248789365 285026194 /nfs/dbraw/zinc/02/61/94/285026194.db2.gz DCQIECODQSODMQ-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000248789365 285026199 /nfs/dbraw/zinc/02/61/99/285026199.db2.gz DCQIECODQSODMQ-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000248789365 285026202 /nfs/dbraw/zinc/02/62/02/285026202.db2.gz DCQIECODQSODMQ-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC2(CCCCC2)O1 ZINC000248789365 285026206 /nfs/dbraw/zinc/02/62/06/285026206.db2.gz DCQIECODQSODMQ-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119877276 195054348 /nfs/dbraw/zinc/05/43/48/195054348.db2.gz MIJMCCQFTVFDEK-UHFFFAOYSA-N 2 2 318.465 3.366 20 0 DGADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119877276 195054351 /nfs/dbraw/zinc/05/43/51/195054351.db2.gz MIJMCCQFTVFDEK-UHFFFAOYSA-N 2 2 318.465 3.366 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000119886738 195055677 /nfs/dbraw/zinc/05/56/77/195055677.db2.gz YVJJHAJNTVOAJB-HLLBOEOZSA-N 2 2 320.502 3.312 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000119886738 195055679 /nfs/dbraw/zinc/05/56/79/195055679.db2.gz YVJJHAJNTVOAJB-HLLBOEOZSA-N 2 2 320.502 3.312 20 0 DGADLP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119960343 195070603 /nfs/dbraw/zinc/07/06/03/195070603.db2.gz JZMYJEATOUANOO-IXDOHACOSA-N 2 2 320.477 3.235 20 0 DGADLP CCOc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119960343 195070604 /nfs/dbraw/zinc/07/06/04/195070604.db2.gz JZMYJEATOUANOO-IXDOHACOSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119931287 195065061 /nfs/dbraw/zinc/06/50/61/195065061.db2.gz VUCSDPNKVJDNBT-GUYCJALGSA-N 2 2 308.853 3.071 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862870 253012461 /nfs/dbraw/zinc/01/24/61/253012461.db2.gz MFAJIWMSISJOFR-HOTGVXAUSA-N 2 2 303.450 3.471 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862870 253012463 /nfs/dbraw/zinc/01/24/63/253012463.db2.gz MFAJIWMSISJOFR-HOTGVXAUSA-N 2 2 303.450 3.471 20 0 DGADLP c1ccc2ncc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000337150831 253054118 /nfs/dbraw/zinc/05/41/18/253054118.db2.gz JFAWGJLOKXSNPR-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP c1ccc2ncc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000337150831 253054121 /nfs/dbraw/zinc/05/41/21/253054121.db2.gz JFAWGJLOKXSNPR-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000337297126 253080206 /nfs/dbraw/zinc/08/02/06/253080206.db2.gz OPYUBYHNMLSRRH-FZKQIMNGSA-N 2 2 303.425 3.169 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000337297126 253080208 /nfs/dbraw/zinc/08/02/08/253080208.db2.gz OPYUBYHNMLSRRH-FZKQIMNGSA-N 2 2 303.425 3.169 20 0 DGADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000337324194 253086875 /nfs/dbraw/zinc/08/68/75/253086875.db2.gz AYTNUAHBMRGCFG-QGZVFWFLSA-N 2 2 313.445 3.430 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)[nH+]c2n1CCCC2 ZINC000337344007 253092949 /nfs/dbraw/zinc/09/29/49/253092949.db2.gz STERKFZHHZROQN-FUHWJXTLSA-N 2 2 324.472 3.473 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337507221 253129589 /nfs/dbraw/zinc/12/95/89/253129589.db2.gz GEGIMEGTTYWJDU-MOPGFXCFSA-N 2 2 313.445 3.226 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337507223 253129729 /nfs/dbraw/zinc/12/97/29/253129729.db2.gz GEGIMEGTTYWJDU-OALUTQOASA-N 2 2 313.445 3.226 20 0 DGADLP c1nn2ccccc2c1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337721629 253164659 /nfs/dbraw/zinc/16/46/59/253164659.db2.gz PRSPLSFFWONZEV-LJQANCHMSA-N 2 2 320.440 3.089 20 0 DGADLP c1nn2ccccc2c1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337721629 253164661 /nfs/dbraw/zinc/16/46/61/253164661.db2.gz PRSPLSFFWONZEV-LJQANCHMSA-N 2 2 320.440 3.089 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337984664 253204790 /nfs/dbraw/zinc/20/47/90/253204790.db2.gz BUZPGVLYTBTUIE-WBVHZDCISA-N 2 2 314.489 3.384 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444767 253289075 /nfs/dbraw/zinc/28/90/75/253289075.db2.gz IXHBWGSTCDZGDW-DOTOQJQBSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444767 253289076 /nfs/dbraw/zinc/28/90/76/253289076.db2.gz IXHBWGSTCDZGDW-DOTOQJQBSA-N 2 2 324.472 3.110 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)[C@H]3CCOC3)ccc2n1C1CC1 ZINC000338783188 253351146 /nfs/dbraw/zinc/35/11/46/253351146.db2.gz UDMLVQHAGRVPQC-HIFRSBDPSA-N 2 2 313.445 3.448 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)[C@@H]3CCOC3)ccc2n1C1CC1 ZINC000338783186 253351204 /nfs/dbraw/zinc/35/12/04/253351204.db2.gz UDMLVQHAGRVPQC-DZGCQCFKSA-N 2 2 313.445 3.448 20 0 DGADLP COc1ccc2c(c1)OCC[N@@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000338996831 253385995 /nfs/dbraw/zinc/38/59/95/253385995.db2.gz HXWALDAUSMKRCF-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP COc1ccc2c(c1)OCC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000338996831 253385998 /nfs/dbraw/zinc/38/59/98/253385998.db2.gz HXWALDAUSMKRCF-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP [NH3+]CCCOC1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000339406531 253463155 /nfs/dbraw/zinc/46/31/55/253463155.db2.gz JANRTBYCPOHMHT-UHFFFAOYSA-N 2 2 323.289 3.385 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580564 197285658 /nfs/dbraw/zinc/28/56/58/197285658.db2.gz OCJWJYVMTQPAPK-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580564 197285659 /nfs/dbraw/zinc/28/56/59/197285659.db2.gz OCJWJYVMTQPAPK-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580564 197285661 /nfs/dbraw/zinc/28/56/61/197285661.db2.gz OCJWJYVMTQPAPK-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580564 197285664 /nfs/dbraw/zinc/28/56/64/197285664.db2.gz OCJWJYVMTQPAPK-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157878382 197223980 /nfs/dbraw/zinc/22/39/80/197223980.db2.gz JELIKIRXDJSUEU-BJZITVGISA-N 2 2 311.429 3.481 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000342682200 254031899 /nfs/dbraw/zinc/03/18/99/254031899.db2.gz WBKFZGSHSHLWPZ-UHFFFAOYSA-N 2 2 320.440 3.273 20 0 DGADLP c1sc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756918 254043557 /nfs/dbraw/zinc/04/35/57/254043557.db2.gz UGGRPEBFAFXVSR-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1C1CC1 ZINC000342756918 254043559 /nfs/dbraw/zinc/04/35/59/254043559.db2.gz UGGRPEBFAFXVSR-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756918 254043564 /nfs/dbraw/zinc/04/35/64/254043564.db2.gz UGGRPEBFAFXVSR-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1C1CC1 ZINC000342756918 254043567 /nfs/dbraw/zinc/04/35/67/254043567.db2.gz UGGRPEBFAFXVSR-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP CCC[C@@H]1CN(c2cc[nH+]c(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000342789410 254050398 /nfs/dbraw/zinc/05/03/98/254050398.db2.gz BLEMMFKHHYQOQO-GOSISDBHSA-N 2 2 310.445 3.276 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000343096179 254098988 /nfs/dbraw/zinc/09/89/88/254098988.db2.gz RFSHAZFSKXIDEM-UHFFFAOYSA-N 2 2 307.397 3.349 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000343105398 254099860 /nfs/dbraw/zinc/09/98/60/254099860.db2.gz YIHAEJKNACYDFF-YLJYHZDGSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000343105398 254099861 /nfs/dbraw/zinc/09/98/61/254099861.db2.gz YIHAEJKNACYDFF-YLJYHZDGSA-N 2 2 316.489 3.086 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885786 296391623 /nfs/dbraw/zinc/39/16/23/296391623.db2.gz VJDHCYUBBYXENI-UWVAXJGDSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885786 296391625 /nfs/dbraw/zinc/39/16/25/296391625.db2.gz VJDHCYUBBYXENI-UWVAXJGDSA-N 3 2 315.505 3.006 20 0 DGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000343514595 254154263 /nfs/dbraw/zinc/15/42/63/254154263.db2.gz SFTQMDSSUQENHN-UHFFFAOYSA-N 2 2 316.474 3.209 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000422858015 533124930 /nfs/dbraw/zinc/12/49/30/533124930.db2.gz ZFRHYCDWZQAKSO-SLBVQIDZSA-N 2 2 323.506 3.251 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)no1 ZINC000344195957 254238001 /nfs/dbraw/zinc/23/80/01/254238001.db2.gz JKJQRZFUEWSFGB-HNNXBMFYSA-N 2 2 310.401 3.121 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000344303944 254253518 /nfs/dbraw/zinc/25/35/18/254253518.db2.gz MLHPYBFXSYNWKD-WDSOQIARSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344303944 254253520 /nfs/dbraw/zinc/25/35/20/254253520.db2.gz MLHPYBFXSYNWKD-WDSOQIARSA-N 2 2 316.489 3.036 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000344334502 254258543 /nfs/dbraw/zinc/25/85/43/254258543.db2.gz QESGMIVLPSOIRM-IUODEOHRSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344334502 254258545 /nfs/dbraw/zinc/25/85/45/254258545.db2.gz QESGMIVLPSOIRM-IUODEOHRSA-N 2 2 311.267 3.330 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000344738392 254301000 /nfs/dbraw/zinc/30/10/00/254301000.db2.gz CZVSMSZJVMCTIV-KRWDZBQOSA-N 2 2 318.505 3.487 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297296 254350677 /nfs/dbraw/zinc/35/06/77/254350677.db2.gz UCNKVDNZDVGMTK-ROUUACIJSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297296 254350678 /nfs/dbraw/zinc/35/06/78/254350678.db2.gz UCNKVDNZDVGMTK-ROUUACIJSA-N 2 2 321.896 3.017 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000345379819 254358409 /nfs/dbraw/zinc/35/84/09/254358409.db2.gz XKQJXLDVXJUHOP-OAHLLOKOSA-N 2 2 322.468 3.408 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000156553018 197122705 /nfs/dbraw/zinc/12/27/05/197122705.db2.gz RQOCAEIXXBOLFM-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000156553018 197122706 /nfs/dbraw/zinc/12/27/06/197122706.db2.gz RQOCAEIXXBOLFM-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C(C)(C)O1 ZINC000156220717 197096667 /nfs/dbraw/zinc/09/66/67/197096667.db2.gz NVLVLNYBESUOGZ-OAHLLOKOSA-N 2 2 301.434 3.431 20 0 DGADLP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000415116637 533180860 /nfs/dbraw/zinc/18/08/60/533180860.db2.gz UXSOTDJTDLVLDW-CQSZACIVSA-N 2 2 302.443 3.265 20 0 DGADLP COc1ccc(-c2nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)co2)cc1 ZINC000430594617 533193530 /nfs/dbraw/zinc/19/35/30/533193530.db2.gz RXHYRYCCZXRPMV-KRWDZBQOSA-N 2 2 317.433 3.155 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)co2)cc1 ZINC000430594617 533193532 /nfs/dbraw/zinc/19/35/32/533193532.db2.gz RXHYRYCCZXRPMV-KRWDZBQOSA-N 2 2 317.433 3.155 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000120705994 195220566 /nfs/dbraw/zinc/22/05/66/195220566.db2.gz UQIMPLMKONLZNB-HNNXBMFYSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000120705994 195220569 /nfs/dbraw/zinc/22/05/69/195220569.db2.gz UQIMPLMKONLZNB-HNNXBMFYSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000120708139 195220794 /nfs/dbraw/zinc/22/07/94/195220794.db2.gz KGRSMCFRSYWZPM-GJZGRUSLSA-N 2 2 318.465 3.270 20 0 DGADLP Cc1cc(F)ccc1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000120736121 195226177 /nfs/dbraw/zinc/22/61/77/195226177.db2.gz FDPBATWOVWYFRE-UHFFFAOYSA-N 2 2 313.420 3.330 20 0 DGADLP CCn1nc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c2ccccc21 ZINC000289534888 221046844 /nfs/dbraw/zinc/04/68/44/221046844.db2.gz HVQYNSZAAKYOMM-XYPWUTKMSA-N 2 2 312.461 3.113 20 0 DGADLP CCn1nc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c2ccccc21 ZINC000289534888 221046846 /nfs/dbraw/zinc/04/68/46/221046846.db2.gz HVQYNSZAAKYOMM-XYPWUTKMSA-N 2 2 312.461 3.113 20 0 DGADLP CCn1nc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000289534888 221046849 /nfs/dbraw/zinc/04/68/49/221046849.db2.gz HVQYNSZAAKYOMM-XYPWUTKMSA-N 2 2 312.461 3.113 20 0 DGADLP CCn1nc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000289534888 221046850 /nfs/dbraw/zinc/04/68/50/221046850.db2.gz HVQYNSZAAKYOMM-XYPWUTKMSA-N 2 2 312.461 3.113 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632784 221115869 /nfs/dbraw/zinc/11/58/69/221115869.db2.gz VZFIITFKUUSISK-PWSUYJOCSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632784 221115870 /nfs/dbraw/zinc/11/58/70/221115870.db2.gz VZFIITFKUUSISK-PWSUYJOCSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632781 221116128 /nfs/dbraw/zinc/11/61/28/221116128.db2.gz VZFIITFKUUSISK-JQWIXIFHSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(Cl)c1Cl ZINC000289632781 221116131 /nfs/dbraw/zinc/11/61/31/221116131.db2.gz VZFIITFKUUSISK-JQWIXIFHSA-N 2 2 317.260 3.099 20 0 DGADLP CC(C)Cn1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000289919144 221317610 /nfs/dbraw/zinc/31/76/10/221317610.db2.gz VOZLSCCJPKCJHR-UHFFFAOYSA-N 2 2 318.465 3.086 20 0 DGADLP CC(C)Cn1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000289919144 221317612 /nfs/dbraw/zinc/31/76/12/221317612.db2.gz VOZLSCCJPKCJHR-UHFFFAOYSA-N 2 2 318.465 3.086 20 0 DGADLP CC(C)Cn1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000289919144 221317613 /nfs/dbraw/zinc/31/76/13/221317613.db2.gz VOZLSCCJPKCJHR-UHFFFAOYSA-N 2 2 318.465 3.086 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000289955191 221339301 /nfs/dbraw/zinc/33/93/01/221339301.db2.gz QIILHEHZTCYSHN-OAHLLOKOSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000289955191 221339304 /nfs/dbraw/zinc/33/93/04/221339304.db2.gz QIILHEHZTCYSHN-OAHLLOKOSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000289955191 221339306 /nfs/dbraw/zinc/33/93/06/221339306.db2.gz QIILHEHZTCYSHN-OAHLLOKOSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000289955191 221339309 /nfs/dbraw/zinc/33/93/09/221339309.db2.gz QIILHEHZTCYSHN-OAHLLOKOSA-N 2 2 312.461 3.240 20 0 DGADLP COCC1CCC([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000294995280 224366566 /nfs/dbraw/zinc/36/65/66/224366566.db2.gz HVWVNMHOHWABKM-IPJUCJBFSA-N 2 2 304.478 3.302 20 0 DGADLP COCC1CCC([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000294995280 224366569 /nfs/dbraw/zinc/36/65/69/224366569.db2.gz HVWVNMHOHWABKM-IPJUCJBFSA-N 2 2 304.478 3.302 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000349402940 285344086 /nfs/dbraw/zinc/34/40/86/285344086.db2.gz ALTDMORFACWDAN-UHFFFAOYSA-N 2 2 318.440 3.175 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000349402940 285344088 /nfs/dbraw/zinc/34/40/88/285344088.db2.gz ALTDMORFACWDAN-UHFFFAOYSA-N 2 2 318.440 3.175 20 0 DGADLP c1coc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121009335 195279593 /nfs/dbraw/zinc/27/95/93/195279593.db2.gz YXCCHIGBWFOXPL-GOSISDBHSA-N 2 2 309.369 3.039 20 0 DGADLP c1coc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000121009335 195279596 /nfs/dbraw/zinc/27/95/96/195279596.db2.gz YXCCHIGBWFOXPL-GOSISDBHSA-N 2 2 309.369 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000121580885 195309664 /nfs/dbraw/zinc/30/96/64/195309664.db2.gz FKAKQOUCNNJJPY-JKSUJKDBSA-N 2 2 314.477 3.346 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423247172 533289268 /nfs/dbraw/zinc/28/92/68/533289268.db2.gz QEXMYEFQDXXGQS-MSOLQXFVSA-N 2 2 312.413 3.199 20 0 DGADLP C[C@@H](CCCO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000294721885 533560420 /nfs/dbraw/zinc/56/04/20/533560420.db2.gz FNIUXLARWCISFL-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)[NH+]1CCCCC1 ZINC000433335415 533608295 /nfs/dbraw/zinc/60/82/95/533608295.db2.gz LJHKBTJADDKQHL-AWEZNQCLSA-N 2 2 302.422 3.024 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000309707202 533645303 /nfs/dbraw/zinc/64/53/03/533645303.db2.gz IDMTYEQFEFGXIK-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000309707202 533645315 /nfs/dbraw/zinc/64/53/15/533645315.db2.gz IDMTYEQFEFGXIK-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1N(C)C ZINC000163845235 132125294 /nfs/dbraw/zinc/12/52/94/132125294.db2.gz MOBLYYLNTXDTSZ-AWEZNQCLSA-N 2 2 316.424 3.440 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000357030979 285613424 /nfs/dbraw/zinc/61/34/24/285613424.db2.gz VDUPIBFNBGEMNV-GOSISDBHSA-N 2 2 324.403 3.184 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572560 400093917 /nfs/dbraw/zinc/09/39/17/400093917.db2.gz IZHSOOOAFJTTIB-HIFRSBDPSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572560 400093921 /nfs/dbraw/zinc/09/39/21/400093921.db2.gz IZHSOOOAFJTTIB-HIFRSBDPSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572560 400093923 /nfs/dbraw/zinc/09/39/23/400093923.db2.gz IZHSOOOAFJTTIB-HIFRSBDPSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572560 400093928 /nfs/dbraw/zinc/09/39/28/400093928.db2.gz IZHSOOOAFJTTIB-HIFRSBDPSA-N 2 2 322.449 3.099 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000584768899 400101136 /nfs/dbraw/zinc/10/11/36/400101136.db2.gz KLPSVPZSQRQWPM-AWEZNQCLSA-N 2 2 307.850 3.290 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525356 400145605 /nfs/dbraw/zinc/14/56/05/400145605.db2.gz GFMIBGJROYBAFQ-JSGCOSHPSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525356 400145613 /nfs/dbraw/zinc/14/56/13/400145613.db2.gz GFMIBGJROYBAFQ-JSGCOSHPSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H](c1cccs1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690206 400223118 /nfs/dbraw/zinc/22/31/18/400223118.db2.gz BTVLRWWQLDKLNN-RDJZCZTQSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690206 400223123 /nfs/dbraw/zinc/22/31/23/400223123.db2.gz BTVLRWWQLDKLNN-RDJZCZTQSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@@H](c1cccs1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690206 400223124 /nfs/dbraw/zinc/22/31/24/400223124.db2.gz BTVLRWWQLDKLNN-RDJZCZTQSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@@H](c1cccs1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690206 400223130 /nfs/dbraw/zinc/22/31/30/400223130.db2.gz BTVLRWWQLDKLNN-RDJZCZTQSA-N 2 2 318.486 3.234 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000588177162 400197449 /nfs/dbraw/zinc/19/74/49/400197449.db2.gz PZEVRKCCHVTZTQ-XGHXRCDJSA-N 2 2 302.462 3.036 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000588177162 400197454 /nfs/dbraw/zinc/19/74/54/400197454.db2.gz PZEVRKCCHVTZTQ-XGHXRCDJSA-N 2 2 302.462 3.036 20 0 DGADLP CC(C)(C)n1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000069675993 400338550 /nfs/dbraw/zinc/33/85/50/400338550.db2.gz ZVPBSDJPKGOWGE-UHFFFAOYSA-N 2 2 323.444 3.173 20 0 DGADLP c1cc(C[NH2+]C2CCCCCC2)cc(C[NH+]2CCOCC2)c1 ZINC000069747660 400341730 /nfs/dbraw/zinc/34/17/30/400341730.db2.gz LRCAGDNALWFJQV-UHFFFAOYSA-N 2 2 302.462 3.331 20 0 DGADLP CCCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(OCCC)c1 ZINC000072726256 400400745 /nfs/dbraw/zinc/40/07/45/400400745.db2.gz LYHQJZVXSZHVJU-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1sccc1Br ZINC000041050975 400402790 /nfs/dbraw/zinc/40/27/90/400402790.db2.gz FQNZTPOGKZLCKA-VIFPVBQESA-N 2 2 300.225 3.058 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2c1OCO2 ZINC000591082260 400484225 /nfs/dbraw/zinc/48/42/25/400484225.db2.gz MNWAYDJFCJERGO-ZDUSSCGKSA-N 2 2 319.792 3.102 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2c1OCO2 ZINC000591082260 400484229 /nfs/dbraw/zinc/48/42/29/400484229.db2.gz MNWAYDJFCJERGO-ZDUSSCGKSA-N 2 2 319.792 3.102 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000129066022 400521914 /nfs/dbraw/zinc/52/19/14/400521914.db2.gz XNSLOGYSQLEFBN-ZFWWWQNUSA-N 2 2 301.459 3.430 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000129066022 400521918 /nfs/dbraw/zinc/52/19/18/400521918.db2.gz XNSLOGYSQLEFBN-ZFWWWQNUSA-N 2 2 301.459 3.430 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708505 400551050 /nfs/dbraw/zinc/55/10/50/400551050.db2.gz BLFPNWOAIBDWBB-DOTOQJQBSA-N 2 2 320.440 3.488 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708505 400551054 /nfs/dbraw/zinc/55/10/54/400551054.db2.gz BLFPNWOAIBDWBB-DOTOQJQBSA-N 2 2 320.440 3.488 20 0 DGADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000075835472 400613804 /nfs/dbraw/zinc/61/38/04/400613804.db2.gz WMZBCKMKMTXSJD-CRAIPNDOSA-N 2 2 322.880 3.181 20 0 DGADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000075835472 400613807 /nfs/dbraw/zinc/61/38/07/400613807.db2.gz WMZBCKMKMTXSJD-CRAIPNDOSA-N 2 2 322.880 3.181 20 0 DGADLP COC(=O)[C@H](c1ccsc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603122692 400645857 /nfs/dbraw/zinc/64/58/57/400645857.db2.gz YKFHDWIAERIORT-INIZCTEOSA-N 2 2 324.490 3.160 20 0 DGADLP COC(=O)[C@H](c1ccsc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603122692 400645861 /nfs/dbraw/zinc/64/58/61/400645861.db2.gz YKFHDWIAERIORT-INIZCTEOSA-N 2 2 324.490 3.160 20 0 DGADLP C[C@](CO)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000152765854 400683404 /nfs/dbraw/zinc/68/34/04/400683404.db2.gz XCSUCQRVJWXCIO-LJQANCHMSA-N 2 2 313.445 3.293 20 0 DGADLP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000619425095 400844873 /nfs/dbraw/zinc/84/48/73/400844873.db2.gz LHUMECVEVGHRMZ-FUHWJXTLSA-N 2 2 304.434 3.034 20 0 DGADLP CC(C)(C)[C@H](CCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154279 400845647 /nfs/dbraw/zinc/84/56/47/400845647.db2.gz GMIVLXSSZRMJCG-MSOLQXFVSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)[C@H](CCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154279 400845651 /nfs/dbraw/zinc/84/56/51/400845651.db2.gz GMIVLXSSZRMJCG-MSOLQXFVSA-N 2 2 318.505 3.426 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)CCC2 ZINC000358169565 285988810 /nfs/dbraw/zinc/98/88/10/285988810.db2.gz PPYSSMCYEGCSRZ-VQIMIIECSA-N 2 2 302.462 3.073 20 0 DGADLP Cc1cccn2cc(CN3CCC[N@@H+](C4CCCC4)CC3)[nH+]c12 ZINC000606448237 400913944 /nfs/dbraw/zinc/91/39/44/400913944.db2.gz SSCVEOLAUGOFTJ-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2cc(CN3CCC[N@H+](C4CCCC4)CC3)[nH+]c12 ZINC000606448237 400913947 /nfs/dbraw/zinc/91/39/47/400913947.db2.gz SSCVEOLAUGOFTJ-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000236782731 400982348 /nfs/dbraw/zinc/98/23/48/400982348.db2.gz PZEVRKCCHVTZTQ-GTENMVSRSA-N 2 2 302.462 3.036 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000236821400 400982527 /nfs/dbraw/zinc/98/25/27/400982527.db2.gz FAQLXFQESOZCMH-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCC ZINC000236821400 400982532 /nfs/dbraw/zinc/98/25/32/400982532.db2.gz FAQLXFQESOZCMH-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)s1 ZINC000629540155 400967784 /nfs/dbraw/zinc/96/77/84/400967784.db2.gz UMWFWDUJYVBUHD-OPRDCNLKSA-N 2 2 303.269 3.302 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629652383 401018008 /nfs/dbraw/zinc/01/80/08/401018008.db2.gz AASLJCJVNPSPCN-FDQNRYPESA-N 2 2 316.342 3.298 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629652383 401018011 /nfs/dbraw/zinc/01/80/11/401018011.db2.gz AASLJCJVNPSPCN-FDQNRYPESA-N 2 2 316.342 3.298 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555763 400973583 /nfs/dbraw/zinc/97/35/83/400973583.db2.gz CIRRHEIIWVEJEL-XGWLTEMNSA-N 2 2 308.853 3.074 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@@H]1C(F)(F)F ZINC000629559237 400975414 /nfs/dbraw/zinc/97/54/14/400975414.db2.gz AKWQSRNITPWYPP-WPRPVWTQSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@@H]1C(F)(F)F ZINC000629559237 400975417 /nfs/dbraw/zinc/97/54/17/400975417.db2.gz AKWQSRNITPWYPP-WPRPVWTQSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629652382 401018391 /nfs/dbraw/zinc/01/83/91/401018391.db2.gz AASLJCJVNPSPCN-CYDCXJKDSA-N 2 2 316.342 3.298 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629652382 401018398 /nfs/dbraw/zinc/01/83/98/401018398.db2.gz AASLJCJVNPSPCN-CYDCXJKDSA-N 2 2 316.342 3.298 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629567702 400980057 /nfs/dbraw/zinc/98/00/57/400980057.db2.gz QDOBOEAWWNNMRX-DGCLKSJQSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629567702 400980061 /nfs/dbraw/zinc/98/00/61/400980061.db2.gz QDOBOEAWWNNMRX-DGCLKSJQSA-N 2 2 306.759 3.299 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629568150 400980459 /nfs/dbraw/zinc/98/04/59/400980459.db2.gz RTVWJSYMUIWHAT-OCCSQVGLSA-N 2 2 318.408 3.368 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629568150 400980469 /nfs/dbraw/zinc/98/04/69/400980469.db2.gz RTVWJSYMUIWHAT-OCCSQVGLSA-N 2 2 318.408 3.368 20 0 DGADLP CO[C@@H](c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1)[C@H](C)[NH3+] ZINC000629710634 401054256 /nfs/dbraw/zinc/05/42/56/401054256.db2.gz VKXFMWZIWVOPKD-IFXJQAMLSA-N 2 2 311.429 3.384 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516322 401073830 /nfs/dbraw/zinc/07/38/30/401073830.db2.gz CUPRRUJHTKKMMZ-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516322 401073833 /nfs/dbraw/zinc/07/38/33/401073833.db2.gz CUPRRUJHTKKMMZ-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516322 401073836 /nfs/dbraw/zinc/07/38/36/401073836.db2.gz CUPRRUJHTKKMMZ-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516322 401073839 /nfs/dbraw/zinc/07/38/39/401073839.db2.gz CUPRRUJHTKKMMZ-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c[nH+]1 ZINC000594623626 401138953 /nfs/dbraw/zinc/13/89/53/401138953.db2.gz NRYTVTUVYHQSQZ-QGZVFWFLSA-N 2 2 306.450 3.279 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@H](C)C1 ZINC000358267019 286016095 /nfs/dbraw/zinc/01/60/95/286016095.db2.gz OGMZKIOHTOUKMR-GDBMZVCRSA-N 2 2 305.466 3.079 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@H](C)C1 ZINC000358267019 286016096 /nfs/dbraw/zinc/01/60/96/286016096.db2.gz OGMZKIOHTOUKMR-GDBMZVCRSA-N 2 2 305.466 3.079 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2csc(-c3ccco3)n2)CC1 ZINC000063508942 401198946 /nfs/dbraw/zinc/19/89/46/401198946.db2.gz KAINLAJDNHERJT-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP Cc1cccc(C)c1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090469061 401266882 /nfs/dbraw/zinc/26/68/82/401266882.db2.gz FMYWJJXWMAHOMA-UHFFFAOYSA-N 2 2 323.484 3.495 20 0 DGADLP CCOCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000625977814 401271323 /nfs/dbraw/zinc/27/13/23/401271323.db2.gz WEBMEDLLVLIBRR-LJQANCHMSA-N 2 2 313.445 3.299 20 0 DGADLP CCOCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000625977814 401271325 /nfs/dbraw/zinc/27/13/25/401271325.db2.gz WEBMEDLLVLIBRR-LJQANCHMSA-N 2 2 313.445 3.299 20 0 DGADLP FCC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000626006405 401277857 /nfs/dbraw/zinc/27/78/57/401277857.db2.gz XVYNSGBYYCNVCT-IBGZPJMESA-N 2 2 320.452 3.233 20 0 DGADLP FCC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000626006405 401277858 /nfs/dbraw/zinc/27/78/58/401277858.db2.gz XVYNSGBYYCNVCT-IBGZPJMESA-N 2 2 320.452 3.233 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000621716031 401282167 /nfs/dbraw/zinc/28/21/67/401282167.db2.gz OZSGKJLMHRPXBN-VQIMIIECSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000621716031 401282170 /nfs/dbraw/zinc/28/21/70/401282170.db2.gz OZSGKJLMHRPXBN-VQIMIIECSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000621716031 401282172 /nfs/dbraw/zinc/28/21/72/401282172.db2.gz OZSGKJLMHRPXBN-VQIMIIECSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000621716031 401282173 /nfs/dbraw/zinc/28/21/73/401282173.db2.gz OZSGKJLMHRPXBN-VQIMIIECSA-N 2 2 324.472 3.270 20 0 DGADLP [NH3+]C[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000630525069 401282568 /nfs/dbraw/zinc/28/25/68/401282568.db2.gz AODHLRSHXKDFOR-GXTWGEPZSA-N 2 2 309.335 3.198 20 0 DGADLP [NH3+]C[C@H]1CN(c2[nH+]ccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000630525070 401282680 /nfs/dbraw/zinc/28/26/80/401282680.db2.gz AODHLRSHXKDFOR-JSGCOSHPSA-N 2 2 309.335 3.198 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342865 401229087 /nfs/dbraw/zinc/22/90/87/401229087.db2.gz IRFUAZZOKCABAS-OWODTTCDSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342865 401229090 /nfs/dbraw/zinc/22/90/90/401229090.db2.gz IRFUAZZOKCABAS-OWODTTCDSA-N 2 2 316.489 3.353 20 0 DGADLP CC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000090047226 401249944 /nfs/dbraw/zinc/24/99/44/401249944.db2.gz GIOMLJROLDRSSY-AEFFLSMTSA-N 2 2 320.477 3.155 20 0 DGADLP O[C@@]1(C[N@@H+]2CC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646689 401326100 /nfs/dbraw/zinc/32/61/00/401326100.db2.gz JCQVSKHBZUFHNL-SFTDATJTSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@@]1(C[N@H+]2CC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646689 401326103 /nfs/dbraw/zinc/32/61/03/401326103.db2.gz JCQVSKHBZUFHNL-SFTDATJTSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@@]1(C[NH+]2CC[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646689 401326107 /nfs/dbraw/zinc/32/61/07/401326107.db2.gz JCQVSKHBZUFHNL-SFTDATJTSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@@]1(C[NH+]2CC[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646689 401326108 /nfs/dbraw/zinc/32/61/08/401326108.db2.gz JCQVSKHBZUFHNL-SFTDATJTSA-N 2 2 322.452 3.070 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000634682974 401333724 /nfs/dbraw/zinc/33/37/24/401333724.db2.gz GHEWCSXKTOHSDB-GUYCJALGSA-N 2 2 305.372 3.463 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H]4CCC[C@]4([NH3+])C3)s2)cc1 ZINC000622003709 401335140 /nfs/dbraw/zinc/33/51/40/401335140.db2.gz DTFXXYWTUIEFRO-QAPCUYQASA-N 2 2 313.470 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3C[C@H]4CCC[C@]4([NH3+])C3)s2)cc1 ZINC000622003709 401335141 /nfs/dbraw/zinc/33/51/41/401335141.db2.gz DTFXXYWTUIEFRO-QAPCUYQASA-N 2 2 313.470 3.432 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000622044008 401338426 /nfs/dbraw/zinc/33/84/26/401338426.db2.gz RRCAWZAFZVDSHJ-APWZRJJASA-N 2 2 314.404 3.417 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000622044011 401338618 /nfs/dbraw/zinc/33/86/18/401338618.db2.gz RRCAWZAFZVDSHJ-VQIMIIECSA-N 2 2 314.404 3.417 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000358385096 286047728 /nfs/dbraw/zinc/04/77/28/286047728.db2.gz QZYDTBZULYIWCL-IBGZPJMESA-N 2 2 324.472 3.056 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000358385096 286047729 /nfs/dbraw/zinc/04/77/29/286047729.db2.gz QZYDTBZULYIWCL-IBGZPJMESA-N 2 2 324.472 3.056 20 0 DGADLP CCc1cnc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000626062572 401291377 /nfs/dbraw/zinc/29/13/77/401291377.db2.gz XWVBXQOZUCFEFE-UHFFFAOYSA-N 2 2 301.434 3.321 20 0 DGADLP CCc1cnc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000626062572 401291380 /nfs/dbraw/zinc/29/13/80/401291380.db2.gz XWVBXQOZUCFEFE-UHFFFAOYSA-N 2 2 301.434 3.321 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(C)c2)CC1 ZINC000626086710 401296244 /nfs/dbraw/zinc/29/62/44/401296244.db2.gz MFFBPNAZWHZXAC-UHFFFAOYSA-N 2 2 302.462 3.072 20 0 DGADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccon1 ZINC000634964244 401390201 /nfs/dbraw/zinc/39/02/01/401390201.db2.gz RSAIBZAZFXYESS-UHFFFAOYSA-N 2 2 311.385 3.189 20 0 DGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccon1 ZINC000634964244 401390204 /nfs/dbraw/zinc/39/02/04/401390204.db2.gz RSAIBZAZFXYESS-UHFFFAOYSA-N 2 2 311.385 3.189 20 0 DGADLP Nc1ccc(-c2cccc(C[NH2+]CC3([NH3+])CCCCC3)n2)cc1 ZINC000634994650 401397848 /nfs/dbraw/zinc/39/78/48/401397848.db2.gz JREXBVROHCNVER-UHFFFAOYSA-N 2 2 310.445 3.082 20 0 DGADLP c1ccc2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]cc2c1 ZINC000631123225 401401698 /nfs/dbraw/zinc/40/16/98/401401698.db2.gz PPJCYVISACGPQR-OAHLLOKOSA-N 2 2 311.429 3.148 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000635010974 401402713 /nfs/dbraw/zinc/40/27/13/401402713.db2.gz LPTJQBJREOAQGY-CVEARBPZSA-N 2 2 316.424 3.006 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cscn1 ZINC000631197443 401424468 /nfs/dbraw/zinc/42/44/68/401424468.db2.gz ZHFIOEOQZIEODH-GOEBONIOSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cscn1 ZINC000631197443 401424471 /nfs/dbraw/zinc/42/44/71/401424471.db2.gz ZHFIOEOQZIEODH-GOEBONIOSA-N 2 2 301.459 3.001 20 0 DGADLP CC(C)C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)n1cc[nH+]c1 ZINC000635263760 401427225 /nfs/dbraw/zinc/42/72/25/401427225.db2.gz AYGMGHGDJOKGJJ-QGZVFWFLSA-N 2 2 314.433 3.171 20 0 DGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635377406 401435392 /nfs/dbraw/zinc/43/53/92/401435392.db2.gz YZHFWDUMAGJKJU-KRWDZBQOSA-N 2 2 324.428 3.043 20 0 DGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635377406 401435395 /nfs/dbraw/zinc/43/53/95/401435395.db2.gz YZHFWDUMAGJKJU-KRWDZBQOSA-N 2 2 324.428 3.043 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259034 401439807 /nfs/dbraw/zinc/43/98/07/401439807.db2.gz HXMUIAZODDVMQR-MOPGFXCFSA-N 2 2 314.473 3.261 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259034 401439809 /nfs/dbraw/zinc/43/98/09/401439809.db2.gz HXMUIAZODDVMQR-MOPGFXCFSA-N 2 2 314.473 3.261 20 0 DGADLP C[NH+](C)CC1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000635550772 401453927 /nfs/dbraw/zinc/45/39/27/401453927.db2.gz FEPVMIQAJYCLEX-UHFFFAOYSA-N 2 2 311.385 3.154 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000623088479 401462734 /nfs/dbraw/zinc/46/27/34/401462734.db2.gz NSBFHQOBRYEDLU-UHFFFAOYSA-N 2 2 302.796 3.407 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000623089676 401464051 /nfs/dbraw/zinc/46/40/51/401464051.db2.gz SHUAUKOQPBXJBI-UHFFFAOYSA-N 2 2 319.399 3.302 20 0 DGADLP Cc1[nH]c(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000628145618 401533524 /nfs/dbraw/zinc/53/35/24/401533524.db2.gz QVQBECJQVZAOPD-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000628145618 401533526 /nfs/dbraw/zinc/53/35/26/401533526.db2.gz QVQBECJQVZAOPD-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000623654520 401562370 /nfs/dbraw/zinc/56/23/70/401562370.db2.gz BISLKCLHYMELQI-INIZCTEOSA-N 2 2 319.468 3.247 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000623654520 401562372 /nfs/dbraw/zinc/56/23/72/401562372.db2.gz BISLKCLHYMELQI-INIZCTEOSA-N 2 2 319.468 3.247 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000623657816 401564347 /nfs/dbraw/zinc/56/43/47/401564347.db2.gz ZQFUYLRTVASQOD-KRWDZBQOSA-N 2 2 313.445 3.087 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000623657816 401564349 /nfs/dbraw/zinc/56/43/49/401564349.db2.gz ZQFUYLRTVASQOD-KRWDZBQOSA-N 2 2 313.445 3.087 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000628285684 401567863 /nfs/dbraw/zinc/56/78/63/401567863.db2.gz CMSUVLZMCQLYHO-ZDUSSCGKSA-N 2 2 309.335 3.118 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000628285684 401567867 /nfs/dbraw/zinc/56/78/67/401567867.db2.gz CMSUVLZMCQLYHO-ZDUSSCGKSA-N 2 2 309.335 3.118 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)[nH+]1 ZINC000628323905 401576494 /nfs/dbraw/zinc/57/64/94/401576494.db2.gz TVTDNUHIVYFALJ-ULQDDVLXSA-N 2 2 312.461 3.201 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)[nH+]1 ZINC000628323905 401576498 /nfs/dbraw/zinc/57/64/98/401576498.db2.gz TVTDNUHIVYFALJ-ULQDDVLXSA-N 2 2 312.461 3.201 20 0 DGADLP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000623809167 401582184 /nfs/dbraw/zinc/58/21/84/401582184.db2.gz UQHPTNBUKZWYDZ-WKILWMFISA-N 2 2 308.853 3.071 20 0 DGADLP COc1ccc[nH+]c1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000623856459 401588321 /nfs/dbraw/zinc/58/83/21/401588321.db2.gz VYKYSENQPPJUAX-UHFFFAOYSA-N 2 2 303.450 3.183 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)C[NH+](C)C ZINC000623530488 401541374 /nfs/dbraw/zinc/54/13/74/401541374.db2.gz ZZUAQLAGDWCONJ-VIFPVBQESA-N 2 2 321.209 3.015 20 0 DGADLP CCN(Cc1[nH]cc(C)[nH+]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628186980 401544988 /nfs/dbraw/zinc/54/49/88/401544988.db2.gz BPQVRGNBFOPRBU-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CCN(Cc1[nH]cc(C)[nH+]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628186980 401544989 /nfs/dbraw/zinc/54/49/89/401544989.db2.gz BPQVRGNBFOPRBU-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccncc3Cl)cn21 ZINC000623559279 401546545 /nfs/dbraw/zinc/54/65/45/401546545.db2.gz XZDGPGAAVZQESN-UHFFFAOYSA-N 2 2 300.793 3.023 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000628198663 401548474 /nfs/dbraw/zinc/54/84/74/401548474.db2.gz GXFOAXUXPJKPMY-UHFFFAOYSA-N 2 2 300.450 3.232 20 0 DGADLP CCC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000628199060 401548615 /nfs/dbraw/zinc/54/86/15/401548615.db2.gz ZUNRIFWYXHWDDB-GOSISDBHSA-N 2 2 312.461 3.205 20 0 DGADLP CCC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000628199060 401548617 /nfs/dbraw/zinc/54/86/17/401548617.db2.gz ZUNRIFWYXHWDDB-GOSISDBHSA-N 2 2 312.461 3.205 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575447 401549681 /nfs/dbraw/zinc/54/96/81/401549681.db2.gz AZSHFUHTQIAPNH-DLBZAZTESA-N 2 2 324.472 3.322 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575447 401549682 /nfs/dbraw/zinc/54/96/82/401549682.db2.gz AZSHFUHTQIAPNH-DLBZAZTESA-N 2 2 324.472 3.322 20 0 DGADLP CCC[C@@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OCC ZINC000623598569 401552733 /nfs/dbraw/zinc/55/27/33/401552733.db2.gz GSQOMXUQCRRMQR-SFHVURJKSA-N 2 2 301.434 3.476 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccc1 ZINC000628221794 401553864 /nfs/dbraw/zinc/55/38/64/401553864.db2.gz UOIGKZDUFVADTC-KRWDZBQOSA-N 2 2 322.412 3.359 20 0 DGADLP Cn1c(CCC[NH2+]Cc2cnc(C3CC3)o2)[nH+]c2ccccc21 ZINC000628233464 401555608 /nfs/dbraw/zinc/55/56/08/401555608.db2.gz DFGUERJBOPGLEK-UHFFFAOYSA-N 2 2 310.401 3.161 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c3ccc(C)cn23)nc1 ZINC000623648396 401562048 /nfs/dbraw/zinc/56/20/48/401562048.db2.gz IYLMXCMQUZXMKA-UHFFFAOYSA-N 2 2 308.429 3.414 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000624100760 401626185 /nfs/dbraw/zinc/62/61/85/401626185.db2.gz CVANFULYKWGQFR-ZIAGYGMSSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(Cl)c1 ZINC000624100760 401626187 /nfs/dbraw/zinc/62/61/87/401626187.db2.gz CVANFULYKWGQFR-ZIAGYGMSSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358485112 286074482 /nfs/dbraw/zinc/07/44/82/286074482.db2.gz SQSRSFBEHZOCDK-GJZGRUSLSA-N 2 2 312.461 3.306 20 0 DGADLP C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358485112 286074483 /nfs/dbraw/zinc/07/44/83/286074483.db2.gz SQSRSFBEHZOCDK-GJZGRUSLSA-N 2 2 312.461 3.306 20 0 DGADLP CN(C)c1ccc(CNc2cc[nH+]c3ccc(Cl)cc23)c[nH+]1 ZINC000358874733 286174957 /nfs/dbraw/zinc/17/49/57/286174957.db2.gz WTTVCXXMQRDIQH-UHFFFAOYSA-N 2 2 312.804 3.383 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000359051243 286224754 /nfs/dbraw/zinc/22/47/54/286224754.db2.gz VHOVSWPIQWNZEE-DFEOGRTESA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000359051243 286224755 /nfs/dbraw/zinc/22/47/55/286224755.db2.gz VHOVSWPIQWNZEE-DFEOGRTESA-N 2 2 301.478 3.318 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000359087909 286234054 /nfs/dbraw/zinc/23/40/54/286234054.db2.gz XJJCOJZHOGHCNR-AEFFLSMTSA-N 2 2 308.510 3.458 20 0 DGADLP CC(C)N(C)c1ccc(CNc2cc3c(c[nH+]2)CCCC3)c[nH+]1 ZINC000359469773 286315138 /nfs/dbraw/zinc/31/51/38/286315138.db2.gz TYFSGYDHLUENMJ-UHFFFAOYSA-N 2 2 310.445 3.234 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1 ZINC000359527685 286327377 /nfs/dbraw/zinc/32/73/77/286327377.db2.gz UDWHIZAVNZQOPY-ROUUACIJSA-N 2 2 308.441 3.223 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000359666903 286357160 /nfs/dbraw/zinc/35/71/60/286357160.db2.gz YCBGYIVRMUTGNL-IXDOHACOSA-N 2 2 316.489 3.325 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000359666903 286357161 /nfs/dbraw/zinc/35/71/61/286357161.db2.gz YCBGYIVRMUTGNL-IXDOHACOSA-N 2 2 316.489 3.325 20 0 DGADLP C[C@H](CCCC(F)(F)F)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000359717196 286366976 /nfs/dbraw/zinc/36/69/76/286366976.db2.gz OBDKZMUIEJYGSK-RDBSUJKOSA-N 2 2 310.404 3.196 20 0 DGADLP CC[NH+](CC)[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000359782316 286379276 /nfs/dbraw/zinc/37/92/76/286379276.db2.gz FSZFSFOFRGLHAN-SFHVURJKSA-N 2 2 322.412 3.356 20 0 DGADLP FC(F)n1ccnc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361076640 286592221 /nfs/dbraw/zinc/59/22/21/286592221.db2.gz ZGWWUVIZXWSOJT-UHFFFAOYSA-N 2 2 323.391 3.167 20 0 DGADLP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1C ZINC000361670424 286711582 /nfs/dbraw/zinc/71/15/82/286711582.db2.gz IUPSOHFVJTWBGL-BBRMVZONSA-N 2 2 315.465 3.253 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000361691256 286714673 /nfs/dbraw/zinc/71/46/73/286714673.db2.gz BQFLUPUVYSQFBI-GOSISDBHSA-N 2 2 311.404 3.339 20 0 DGADLP C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361892702 286740351 /nfs/dbraw/zinc/74/03/51/286740351.db2.gz WVOCVFKTHBNDRQ-OAHLLOKOSA-N 2 2 307.401 3.030 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000363758110 286954660 /nfs/dbraw/zinc/95/46/60/286954660.db2.gz OOQJJDAQAHMOJB-WMLDXEAASA-N 2 2 313.445 3.298 20 0 DGADLP C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000423156735 287018233 /nfs/dbraw/zinc/01/82/33/287018233.db2.gz UDPCQKMBJGMWLX-MRXNPFEDSA-N 2 2 324.472 3.199 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000364645070 287048367 /nfs/dbraw/zinc/04/83/67/287048367.db2.gz JYCJKSRMZOARFT-CQSZACIVSA-N 2 2 307.438 3.101 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000364645070 287048368 /nfs/dbraw/zinc/04/83/68/287048368.db2.gz JYCJKSRMZOARFT-CQSZACIVSA-N 2 2 307.438 3.101 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCOc4c(F)cccc43)n2c1 ZINC000364641351 287047949 /nfs/dbraw/zinc/04/79/49/287047949.db2.gz YGFYZHBEMGYTCJ-MRXNPFEDSA-N 2 2 311.360 3.395 20 0 DGADLP Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cnn1C(C)C ZINC000364913151 287075050 /nfs/dbraw/zinc/07/50/50/287075050.db2.gz DZCPUYFBPKUROV-AWEZNQCLSA-N 2 2 324.432 3.204 20 0 DGADLP CSCCCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186772486 165059867 /nfs/dbraw/zinc/05/98/67/165059867.db2.gz NLSZPYVQASXSNV-UHFFFAOYSA-N 2 2 307.507 3.169 20 0 DGADLP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000188813855 165137722 /nfs/dbraw/zinc/13/77/22/165137722.db2.gz CVJDWWWRIVUXRH-IAGOWNOFSA-N 2 2 322.880 3.462 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@@H+]1C1CC1 ZINC000191301281 165242675 /nfs/dbraw/zinc/24/26/75/165242675.db2.gz GQJKCFQQMSKCCT-YOEHRIQHSA-N 2 2 300.446 3.190 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C[N@H+]1C1CC1 ZINC000191301281 165242678 /nfs/dbraw/zinc/24/26/78/165242678.db2.gz GQJKCFQQMSKCCT-YOEHRIQHSA-N 2 2 300.446 3.190 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000192075613 165280944 /nfs/dbraw/zinc/28/09/44/165280944.db2.gz GEKZHWBJYZOTOF-UYAOXDASSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000192075613 165280948 /nfs/dbraw/zinc/28/09/48/165280948.db2.gz GEKZHWBJYZOTOF-UYAOXDASSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075613 165280954 /nfs/dbraw/zinc/28/09/54/165280954.db2.gz GEKZHWBJYZOTOF-UYAOXDASSA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075613 165280958 /nfs/dbraw/zinc/28/09/58/165280958.db2.gz GEKZHWBJYZOTOF-UYAOXDASSA-N 3 2 324.472 3.097 20 0 DGADLP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192048770 165281193 /nfs/dbraw/zinc/28/11/93/165281193.db2.gz YUKBCQFYHBMSHJ-LJQANCHMSA-N 2 2 312.461 3.097 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000192956653 165313100 /nfs/dbraw/zinc/31/31/00/165313100.db2.gz ZYPOAIPSFMDAFM-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000192956653 165313102 /nfs/dbraw/zinc/31/31/02/165313102.db2.gz ZYPOAIPSFMDAFM-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000192959296 165313215 /nfs/dbraw/zinc/31/32/15/165313215.db2.gz ZNMMFKIGUXDNPX-SFHVURJKSA-N 2 2 310.445 3.336 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000192959296 165313222 /nfs/dbraw/zinc/31/32/22/165313222.db2.gz ZNMMFKIGUXDNPX-SFHVURJKSA-N 2 2 310.445 3.336 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)CC1 ZINC000194953738 165358144 /nfs/dbraw/zinc/35/81/44/165358144.db2.gz QKAAIRMKXSYWMJ-HNNXBMFYSA-N 2 2 322.415 3.009 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOCC(F)(F)F)C2)CC1 ZINC000194953738 165358146 /nfs/dbraw/zinc/35/81/46/165358146.db2.gz QKAAIRMKXSYWMJ-HNNXBMFYSA-N 2 2 322.415 3.009 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000216064566 165375870 /nfs/dbraw/zinc/37/58/70/165375870.db2.gz PTIFTTKALLENFL-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Br ZINC000216064566 165375874 /nfs/dbraw/zinc/37/58/74/165375874.db2.gz PTIFTTKALLENFL-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)ccc1F ZINC000221787715 165379652 /nfs/dbraw/zinc/37/96/52/165379652.db2.gz WVRMBSMMVQZIEV-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)ccc1F ZINC000221787715 165379654 /nfs/dbraw/zinc/37/96/54/165379654.db2.gz WVRMBSMMVQZIEV-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ncc(Cl)s1 ZINC000225303058 165382129 /nfs/dbraw/zinc/38/21/29/165382129.db2.gz WFONPUFQYQTCJY-UHFFFAOYSA-N 2 2 306.822 3.244 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365400747 287127959 /nfs/dbraw/zinc/12/79/59/287127959.db2.gz AQSAZQBHWQUNRI-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365400747 287127962 /nfs/dbraw/zinc/12/79/62/287127962.db2.gz AQSAZQBHWQUNRI-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000365647223 287157420 /nfs/dbraw/zinc/15/74/20/287157420.db2.gz BYMQRNAKYBMLHJ-CQSZACIVSA-N 2 2 319.836 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000365647223 287157423 /nfs/dbraw/zinc/15/74/23/287157423.db2.gz BYMQRNAKYBMLHJ-CQSZACIVSA-N 2 2 319.836 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000365662995 287159726 /nfs/dbraw/zinc/15/97/26/287159726.db2.gz LCRIHNFHQNSTTG-AWEZNQCLSA-N 2 2 321.371 3.401 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000365662995 287159728 /nfs/dbraw/zinc/15/97/28/287159728.db2.gz LCRIHNFHQNSTTG-AWEZNQCLSA-N 2 2 321.371 3.401 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000365938127 287190225 /nfs/dbraw/zinc/19/02/25/287190225.db2.gz UOHFZAXVOSASAR-UHFFFAOYSA-N 2 2 324.428 3.198 20 0 DGADLP CS[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000129328328 196040366 /nfs/dbraw/zinc/04/03/66/196040366.db2.gz YGORDYSQGNGKST-JKSUJKDBSA-N 2 2 305.491 3.314 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000136896048 432165467 /nfs/dbraw/zinc/16/54/67/432165467.db2.gz YBRWYLXWOFLUHU-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000136896048 432165469 /nfs/dbraw/zinc/16/54/69/432165469.db2.gz YBRWYLXWOFLUHU-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000136896002 432165588 /nfs/dbraw/zinc/16/55/88/432165588.db2.gz YBRWYLXWOFLUHU-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000136896002 432165592 /nfs/dbraw/zinc/16/55/92/432165592.db2.gz YBRWYLXWOFLUHU-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000246816380 432168767 /nfs/dbraw/zinc/16/87/67/432168767.db2.gz AXDFUBKSQZVSLC-RWQQGDIJSA-N 3 2 309.542 3.205 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000246816380 432168768 /nfs/dbraw/zinc/16/87/68/432168768.db2.gz AXDFUBKSQZVSLC-RWQQGDIJSA-N 3 2 309.542 3.205 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000269514050 432181188 /nfs/dbraw/zinc/18/11/88/432181188.db2.gz JLMVKPJANYTBRY-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000269514050 432181192 /nfs/dbraw/zinc/18/11/92/432181192.db2.gz JLMVKPJANYTBRY-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000269514050 432181195 /nfs/dbraw/zinc/18/11/95/432181195.db2.gz JLMVKPJANYTBRY-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000269514050 432181199 /nfs/dbraw/zinc/18/11/99/432181199.db2.gz JLMVKPJANYTBRY-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137208929 432173978 /nfs/dbraw/zinc/17/39/78/432173978.db2.gz IZQJSDZCVJTNAQ-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137208929 432173983 /nfs/dbraw/zinc/17/39/83/432173983.db2.gz IZQJSDZCVJTNAQ-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246974337 432186510 /nfs/dbraw/zinc/18/65/10/432186510.db2.gz INOZJRUNSNGIBO-XZEJUNMKSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246974337 432186513 /nfs/dbraw/zinc/18/65/13/432186513.db2.gz INOZJRUNSNGIBO-XZEJUNMKSA-N 2 2 314.473 3.054 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000246994755 432188995 /nfs/dbraw/zinc/18/89/95/432188995.db2.gz WQQUQHLASLAMHZ-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000246994755 432189000 /nfs/dbraw/zinc/18/90/00/432189000.db2.gz WQQUQHLASLAMHZ-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000246994755 432189003 /nfs/dbraw/zinc/18/90/03/432189003.db2.gz WQQUQHLASLAMHZ-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000246994755 432189008 /nfs/dbraw/zinc/18/90/08/432189008.db2.gz WQQUQHLASLAMHZ-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000150894136 432200404 /nfs/dbraw/zinc/20/04/04/432200404.db2.gz CTBIFOYNCZCMPQ-INIZCTEOSA-N 2 2 302.466 3.363 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000269850543 432214805 /nfs/dbraw/zinc/21/48/05/432214805.db2.gz XOGVURSUXVZFCL-OCCSQVGLSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@H](C)C1 ZINC000269850543 432214809 /nfs/dbraw/zinc/21/48/09/432214809.db2.gz XOGVURSUXVZFCL-OCCSQVGLSA-N 2 2 320.868 3.047 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000182667286 432214966 /nfs/dbraw/zinc/21/49/66/432214966.db2.gz OZYNUJSKGKZAHV-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000182667286 432214970 /nfs/dbraw/zinc/21/49/70/432214970.db2.gz OZYNUJSKGKZAHV-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP c1cn(CCC[NH+]2CCC(c3nc4ccccc4o3)CC2)c[nH+]1 ZINC000182672749 432215383 /nfs/dbraw/zinc/21/53/83/432215383.db2.gz FYBYFJMUOCVCIZ-UHFFFAOYSA-N 2 2 310.401 3.294 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000172681663 432228555 /nfs/dbraw/zinc/22/85/55/432228555.db2.gz AQXUGKYGLPKUAP-BEFAXECRSA-N 2 2 312.461 3.216 20 0 DGADLP C[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247368535 432226375 /nfs/dbraw/zinc/22/63/75/432226375.db2.gz HPIWEYDRDLQRBJ-CRAIPNDOSA-N 2 2 317.408 3.374 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247368535 432226376 /nfs/dbraw/zinc/22/63/76/432226376.db2.gz HPIWEYDRDLQRBJ-CRAIPNDOSA-N 2 2 317.408 3.374 20 0 DGADLP c1cn(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)c[nH+]1 ZINC000191070298 432218352 /nfs/dbraw/zinc/21/83/52/432218352.db2.gz KMUAMYNICYBYPX-UHFFFAOYSA-N 2 2 311.429 3.088 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(Br)o1)C(C)(C)C ZINC000191095540 432219582 /nfs/dbraw/zinc/21/95/82/432219582.db2.gz VEJFELHYNXJKKV-GFCCVEGCSA-N 2 2 317.271 3.498 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OCC ZINC000151158142 432224361 /nfs/dbraw/zinc/22/43/61/432224361.db2.gz UMTUUPJVYVEDMB-HNNXBMFYSA-N 2 2 317.433 3.421 20 0 DGADLP Fc1ccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131732723 196194292 /nfs/dbraw/zinc/19/42/92/196194292.db2.gz LZMINEXXCPAJSH-HNNXBMFYSA-N 2 2 304.340 3.056 20 0 DGADLP Fc1ccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131732723 196194294 /nfs/dbraw/zinc/19/42/94/196194294.db2.gz LZMINEXXCPAJSH-HNNXBMFYSA-N 2 2 304.340 3.056 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H]1C ZINC000132057795 196223057 /nfs/dbraw/zinc/22/30/57/196223057.db2.gz XUAWAUDQTVOVEP-GPMSIDNRSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc2)c1C ZINC000291266922 222271125 /nfs/dbraw/zinc/27/11/25/222271125.db2.gz SSHBTUSFDDSBQY-KRWDZBQOSA-N 2 2 314.433 3.014 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NC[C@@H](C)C[NH+]3CCCC3)c2c1 ZINC000301968246 230010507 /nfs/dbraw/zinc/01/05/07/230010507.db2.gz PIRBOGSPVLPSDY-CYBMUJFWSA-N 2 2 314.433 3.091 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000282467749 292648637 /nfs/dbraw/zinc/64/86/37/292648637.db2.gz GHKJVJMVFKDSMA-CAMMJAKZSA-N 2 2 304.478 3.473 20 0 DGADLP Cc1ccc(CNc2[nH]c3ccccc3[nH+]2)c(N2CCCC2)[nH+]1 ZINC000302044817 230060383 /nfs/dbraw/zinc/06/03/83/230060383.db2.gz JZKBRXLBKIPNBU-UHFFFAOYSA-N 2 2 307.401 3.479 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c[nH+]1 ZINC000682675168 549352701 /nfs/dbraw/zinc/35/27/01/549352701.db2.gz PQMQEHUEKIVDPD-KRWDZBQOSA-N 2 2 323.444 3.035 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)c[nH+]1 ZINC000682675168 549352702 /nfs/dbraw/zinc/35/27/02/549352702.db2.gz PQMQEHUEKIVDPD-KRWDZBQOSA-N 2 2 323.444 3.035 20 0 DGADLP Cn1c[nH+]cc1CCNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000302133054 230113821 /nfs/dbraw/zinc/11/38/21/230113821.db2.gz LCUHAWJNCMFSIV-UHFFFAOYSA-N 2 2 315.465 3.460 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)cc1O ZINC000309905977 533684648 /nfs/dbraw/zinc/68/46/48/533684648.db2.gz QLHLKDRSQJHQEK-HNNXBMFYSA-N 2 2 314.429 3.011 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1O ZINC000309905977 533684661 /nfs/dbraw/zinc/68/46/61/533684661.db2.gz QLHLKDRSQJHQEK-HNNXBMFYSA-N 2 2 314.429 3.011 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000346453516 264034844 /nfs/dbraw/zinc/03/48/44/264034844.db2.gz HTFIGFORPOHWIA-IBGZPJMESA-N 2 2 314.429 3.452 20 0 DGADLP c1ccc2sc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000346483262 264039764 /nfs/dbraw/zinc/03/97/64/264039764.db2.gz HSEBVHGFKMTCRV-CQSZACIVSA-N 2 2 311.410 3.345 20 0 DGADLP c1ccc2sc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000346483262 264039767 /nfs/dbraw/zinc/03/97/67/264039767.db2.gz HSEBVHGFKMTCRV-CQSZACIVSA-N 2 2 311.410 3.345 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346692999 264080228 /nfs/dbraw/zinc/08/02/28/264080228.db2.gz KGOUXESHBYPQPF-OAHLLOKOSA-N 2 2 302.466 3.252 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346692999 264080229 /nfs/dbraw/zinc/08/02/29/264080229.db2.gz KGOUXESHBYPQPF-OAHLLOKOSA-N 2 2 302.466 3.252 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000346801779 264100078 /nfs/dbraw/zinc/10/00/78/264100078.db2.gz CKOHQQKFYBZVRW-BPQIPLTHSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000346801779 264100079 /nfs/dbraw/zinc/10/00/79/264100079.db2.gz CKOHQQKFYBZVRW-BPQIPLTHSA-N 2 2 319.518 3.167 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000346825950 264104399 /nfs/dbraw/zinc/10/43/99/264104399.db2.gz HCTIMCWQYJGKBT-PXWWUCIGSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000346825950 264104402 /nfs/dbraw/zinc/10/44/02/264104402.db2.gz HCTIMCWQYJGKBT-PXWWUCIGSA-N 2 2 315.244 3.171 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000346831781 264105896 /nfs/dbraw/zinc/10/58/96/264105896.db2.gz QTKRFUCRKAIFDU-UXHICEINSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000346831781 264105899 /nfs/dbraw/zinc/10/58/99/264105899.db2.gz QTKRFUCRKAIFDU-UXHICEINSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)[C@H](C[NH3+])C1 ZINC000346843610 264107175 /nfs/dbraw/zinc/10/71/75/264107175.db2.gz IRQXHHVAMYNNFX-UONOGXRCSA-N 2 2 318.392 3.024 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)[C@H](C[NH3+])C1 ZINC000346843610 264107176 /nfs/dbraw/zinc/10/71/76/264107176.db2.gz IRQXHHVAMYNNFX-UONOGXRCSA-N 2 2 318.392 3.024 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000346858760 264110504 /nfs/dbraw/zinc/11/05/04/264110504.db2.gz RUTRSFSYGWWGKE-JKSUJKDBSA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000346858760 264110506 /nfs/dbraw/zinc/11/05/06/264110506.db2.gz RUTRSFSYGWWGKE-JKSUJKDBSA-N 2 2 316.470 3.353 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@H]1C[NH3+] ZINC000347005073 264137857 /nfs/dbraw/zinc/13/78/57/264137857.db2.gz AXPMINRXVXZECH-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@H]1C[NH3+] ZINC000347005073 264137859 /nfs/dbraw/zinc/13/78/59/264137859.db2.gz AXPMINRXVXZECH-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP C[N@H+](Cc1c(Cl)cccc1N1CCCC1)C1CC[NH2+]CC1 ZINC000347015554 264139791 /nfs/dbraw/zinc/13/97/91/264139791.db2.gz XZZKORUKFNZNMP-UHFFFAOYSA-N 2 2 307.869 3.124 20 0 DGADLP C[N@@H+](Cc1c(Cl)cccc1N1CCCC1)C1CC[NH2+]CC1 ZINC000347015554 264139793 /nfs/dbraw/zinc/13/97/93/264139793.db2.gz XZZKORUKFNZNMP-UHFFFAOYSA-N 2 2 307.869 3.124 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OCC ZINC000347054454 264149273 /nfs/dbraw/zinc/14/92/73/264149273.db2.gz SVDXPIJRRPCFNV-HOCLYGCPSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OCC ZINC000347054454 264149276 /nfs/dbraw/zinc/14/92/76/264149276.db2.gz SVDXPIJRRPCFNV-HOCLYGCPSA-N 2 2 306.450 3.186 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347071487 264151677 /nfs/dbraw/zinc/15/16/77/264151677.db2.gz QDRJIQJNFGTTGX-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347071487 264151679 /nfs/dbraw/zinc/15/16/79/264151679.db2.gz QDRJIQJNFGTTGX-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2ccc(OC)c(OCCC(C)C)c2)CC1 ZINC000347125272 264161321 /nfs/dbraw/zinc/16/13/21/264161321.db2.gz XWQNQPQQKZSOMY-UHFFFAOYSA-N 2 2 320.477 3.304 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000347137433 264163926 /nfs/dbraw/zinc/16/39/26/264163926.db2.gz UKMFEQIKQSWYIQ-NSHDSACASA-N 2 2 304.768 3.112 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000347137433 264163927 /nfs/dbraw/zinc/16/39/27/264163927.db2.gz UKMFEQIKQSWYIQ-NSHDSACASA-N 2 2 304.768 3.112 20 0 DGADLP CC(C)N(CC[NH+]1CCCCCC1)Cc1c[nH+]c2ccccn12 ZINC000347367901 264208470 /nfs/dbraw/zinc/20/84/70/264208470.db2.gz KBIBVGHOKZDYHN-UHFFFAOYSA-N 2 2 314.477 3.421 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3C3CCOCC3)cc2)c[nH+]1 ZINC000347679441 264266531 /nfs/dbraw/zinc/26/65/31/264266531.db2.gz NTEOXJVPTAMTNI-IBGZPJMESA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3C3CCOCC3)cc2)c[nH+]1 ZINC000347679441 264266532 /nfs/dbraw/zinc/26/65/32/264266532.db2.gz NTEOXJVPTAMTNI-IBGZPJMESA-N 2 2 311.429 3.263 20 0 DGADLP CCc1ncc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)s1 ZINC000347774057 264281888 /nfs/dbraw/zinc/28/18/88/264281888.db2.gz HFGWSIKQKLEFDR-UHFFFAOYSA-N 2 2 314.458 3.315 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000347773055 264282231 /nfs/dbraw/zinc/28/22/31/264282231.db2.gz JHVSHEHBIRHROO-QGZVFWFLSA-N 2 2 304.478 3.086 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000347874315 264299978 /nfs/dbraw/zinc/29/99/78/264299978.db2.gz HHPBRIYVNFPIGA-INIZCTEOSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000347874315 264299980 /nfs/dbraw/zinc/29/99/80/264299980.db2.gz HHPBRIYVNFPIGA-INIZCTEOSA-N 3 2 303.494 3.423 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](CCC(F)(F)F)CC2CC2)s1 ZINC000347931175 264308543 /nfs/dbraw/zinc/30/85/43/264308543.db2.gz VAKWVTLZHWNMHL-UHFFFAOYSA-N 2 2 321.412 3.369 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](CCC(F)(F)F)CC2CC2)s1 ZINC000347931175 264308545 /nfs/dbraw/zinc/30/85/45/264308545.db2.gz VAKWVTLZHWNMHL-UHFFFAOYSA-N 2 2 321.412 3.369 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347933587 264309172 /nfs/dbraw/zinc/30/91/72/264309172.db2.gz DZKNCFIENUGJBK-CALCHBBNSA-N 3 2 303.494 3.280 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347933587 264309174 /nfs/dbraw/zinc/30/91/74/264309174.db2.gz DZKNCFIENUGJBK-CALCHBBNSA-N 3 2 303.494 3.280 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(F)cn1 ZINC000348085788 264336759 /nfs/dbraw/zinc/33/67/59/264336759.db2.gz NBHYPCMZEJEYAJ-AWEZNQCLSA-N 2 2 309.429 3.002 20 0 DGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000348185805 264360008 /nfs/dbraw/zinc/36/00/08/264360008.db2.gz KTADGSQWYVMRFT-AAEUAGOBSA-N 2 2 305.422 3.410 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000348188004 264360346 /nfs/dbraw/zinc/36/03/46/264360346.db2.gz QWXITFXVAABVIQ-RBUKOAKNSA-N 2 2 313.445 3.225 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348194744 264361739 /nfs/dbraw/zinc/36/17/39/264361739.db2.gz ULWIENRTMICNTM-ONEGZZNKSA-N 2 2 304.397 3.129 20 0 DGADLP CCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cn1 ZINC000348353800 264395659 /nfs/dbraw/zinc/39/56/59/264395659.db2.gz ITIRCVAAWQJJOO-UHFFFAOYSA-N 2 2 311.429 3.391 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c(F)cn1 ZINC000348367583 264398092 /nfs/dbraw/zinc/39/80/92/264398092.db2.gz CVQIFDZSRFZOEI-CYBMUJFWSA-N 2 2 309.429 3.002 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cc(O)cc(F)c1)C2 ZINC000349566220 264531277 /nfs/dbraw/zinc/53/12/77/264531277.db2.gz QSMGYFWOMGNEPE-AWEZNQCLSA-N 2 2 317.408 3.130 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccon1 ZINC000349827767 264554128 /nfs/dbraw/zinc/55/41/28/264554128.db2.gz DKIWLVLJDCJEEE-KNIMUDFMSA-N 2 2 311.429 3.236 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccon1 ZINC000349827767 264554130 /nfs/dbraw/zinc/55/41/30/264554130.db2.gz DKIWLVLJDCJEEE-KNIMUDFMSA-N 2 2 311.429 3.236 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000350802079 264662405 /nfs/dbraw/zinc/66/24/05/264662405.db2.gz MLOKJFPARICXMO-MSOLQXFVSA-N 2 2 316.489 3.435 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1C(C)C ZINC000191155253 432228977 /nfs/dbraw/zinc/22/89/77/432228977.db2.gz PRVUIKVHOBHVEI-AWEZNQCLSA-N 2 2 311.433 3.313 20 0 DGADLP CC1(C)Cc2cccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2O1 ZINC000352365357 265018179 /nfs/dbraw/zinc/01/81/79/265018179.db2.gz QPCUCZQKZDWZSB-GOSISDBHSA-N 2 2 324.424 3.448 20 0 DGADLP CC1(C)Cc2cccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2O1 ZINC000352365357 265018182 /nfs/dbraw/zinc/01/81/82/265018182.db2.gz QPCUCZQKZDWZSB-GOSISDBHSA-N 2 2 324.424 3.448 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000352467073 265058813 /nfs/dbraw/zinc/05/88/13/265058813.db2.gz IFFZZYPQQFONIF-SFKKXYGYSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000352467073 265058815 /nfs/dbraw/zinc/05/88/15/265058815.db2.gz IFFZZYPQQFONIF-SFKKXYGYSA-N 2 2 302.462 3.309 20 0 DGADLP Brc1csc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541520 265083368 /nfs/dbraw/zinc/08/33/68/265083368.db2.gz YPWVIBSVMTYFHC-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1csc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541520 265083370 /nfs/dbraw/zinc/08/33/70/265083370.db2.gz YPWVIBSVMTYFHC-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000352633334 265110255 /nfs/dbraw/zinc/11/02/55/265110255.db2.gz MSFGEYSPKSQXGL-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000352633334 265110259 /nfs/dbraw/zinc/11/02/59/265110259.db2.gz MSFGEYSPKSQXGL-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@@H+]1C ZINC000352635599 265112297 /nfs/dbraw/zinc/11/22/97/265112297.db2.gz DRHNWPCZEJGNMV-ZIAGYGMSSA-N 2 2 317.458 3.398 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000352635599 265112299 /nfs/dbraw/zinc/11/22/99/265112299.db2.gz DRHNWPCZEJGNMV-ZIAGYGMSSA-N 2 2 317.458 3.398 20 0 DGADLP C[NH+](C)[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)Cc1ccccc1 ZINC000352700334 265134113 /nfs/dbraw/zinc/13/41/13/265134113.db2.gz MYGNPKUXSVPXOT-ADKAHSJRSA-N 2 2 304.478 3.095 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc3ncccc3c2)s1 ZINC000352707630 265136271 /nfs/dbraw/zinc/13/62/71/265136271.db2.gz UDJCCDWUTDCALN-UHFFFAOYSA-N 2 2 312.442 3.043 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(Cl)cc2F)s1 ZINC000352734835 265145593 /nfs/dbraw/zinc/14/55/93/265145593.db2.gz DAKGLDXGOUWYPF-UHFFFAOYSA-N 2 2 313.829 3.287 20 0 DGADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1c(C)noc1C ZINC000352760242 265155747 /nfs/dbraw/zinc/15/57/47/265155747.db2.gz AOVIYAYCBDEYAA-ZDUSSCGKSA-N 2 2 308.451 3.050 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3cc(F)ccc32)s1 ZINC000352770267 265159239 /nfs/dbraw/zinc/15/92/39/265159239.db2.gz KCVIKOKOSWDYJY-HNNXBMFYSA-N 2 2 305.422 3.121 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000352777786 265162513 /nfs/dbraw/zinc/16/25/13/265162513.db2.gz URQNTTJEHHHZRF-OXQOHEQNSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352777786 265162514 /nfs/dbraw/zinc/16/25/14/265162514.db2.gz URQNTTJEHHHZRF-OXQOHEQNSA-N 2 2 309.457 3.397 20 0 DGADLP Cc1ccccc1O[C@@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352778567 265162562 /nfs/dbraw/zinc/16/25/62/265162562.db2.gz VQLFKNLTFSLVAI-AWEZNQCLSA-N 2 2 319.474 3.070 20 0 DGADLP Cc1cccnc1[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352777824 265163301 /nfs/dbraw/zinc/16/33/01/265163301.db2.gz UZFYOEPVJKYSOF-INIZCTEOSA-N 2 2 318.490 3.395 20 0 DGADLP CC(C)Oc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352812631 265177789 /nfs/dbraw/zinc/17/77/89/265177789.db2.gz GPSRWFRKDCUUIM-UHFFFAOYSA-N 2 2 319.474 3.282 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000352830553 265185394 /nfs/dbraw/zinc/18/53/94/265185394.db2.gz BCXGUNIMNMURSO-VSKPTYQZSA-N 2 2 310.388 3.375 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000352830553 265185400 /nfs/dbraw/zinc/18/54/00/265185400.db2.gz BCXGUNIMNMURSO-VSKPTYQZSA-N 2 2 310.388 3.375 20 0 DGADLP FC(F)(F)c1cscc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000352897462 265219394 /nfs/dbraw/zinc/21/93/94/265219394.db2.gz OURLVXOELZBEFW-JTQLQIEISA-N 2 2 301.337 3.068 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccoc1 ZINC000353530433 265456578 /nfs/dbraw/zinc/45/65/78/265456578.db2.gz MLLQYQYBJDRTIQ-AEFFLSMTSA-N 2 2 308.466 3.315 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@H](C)C[NH+]3CCCC3)sc2c1 ZINC000353775394 265546500 /nfs/dbraw/zinc/54/65/00/265546500.db2.gz IXJSCXBRPSUTIC-ZDUSSCGKSA-N 2 2 319.474 3.126 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353926978 265599892 /nfs/dbraw/zinc/59/98/92/265599892.db2.gz IDZPCPMCRZXUNL-RBUKOAKNSA-N 2 2 313.445 3.226 20 0 DGADLP COc1cccc(O[C@@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354392858 265759743 /nfs/dbraw/zinc/75/97/43/265759743.db2.gz CDLCVOAIYVVETM-INIZCTEOSA-N 2 2 314.429 3.388 20 0 DGADLP CCCCNc1cc(C)[nH+]c(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000631098443 424829405 /nfs/dbraw/zinc/82/94/05/424829405.db2.gz AGBVUSFIDRFJNM-HNNXBMFYSA-N 2 2 314.437 3.035 20 0 DGADLP c1cc2c(nc(C3CC3)[nH+]c2NC[C@@H]2CCCn3cc[nH+]c32)[nH]1 ZINC000631175897 424831508 /nfs/dbraw/zinc/83/15/08/424831508.db2.gz ZETNIVJFUJTECL-LBPRGKRZSA-N 2 2 308.389 3.021 20 0 DGADLP CC(C)c1ncc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000355360353 266050301 /nfs/dbraw/zinc/05/03/01/266050301.db2.gz DXKDAMJCUWFIBE-CQSZACIVSA-N 2 2 318.490 3.455 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000355755979 266174535 /nfs/dbraw/zinc/17/45/35/266174535.db2.gz RFZNODIRIHHDHK-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000355755979 266174537 /nfs/dbraw/zinc/17/45/37/266174537.db2.gz RFZNODIRIHHDHK-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1cc(-c2ccc(F)cc2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355755979 266174538 /nfs/dbraw/zinc/17/45/38/266174538.db2.gz RFZNODIRIHHDHK-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1cc(-c2ccc(F)cc2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355755979 266174541 /nfs/dbraw/zinc/17/45/41/266174541.db2.gz RFZNODIRIHHDHK-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000356274925 266340535 /nfs/dbraw/zinc/34/05/35/266340535.db2.gz SBLJVKPYNDECMC-WMLDXEAASA-N 2 2 302.437 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000356274925 266340537 /nfs/dbraw/zinc/34/05/37/266340537.db2.gz SBLJVKPYNDECMC-WMLDXEAASA-N 2 2 302.437 3.363 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c[nH+]1 ZINC000356373964 266372877 /nfs/dbraw/zinc/37/28/77/266372877.db2.gz WGACHCVGPQENAU-WOJBJXKFSA-N 2 2 310.441 3.078 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000172809352 432237277 /nfs/dbraw/zinc/23/72/77/432237277.db2.gz SQRUPFIOMGLNOM-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479336 271026905 /nfs/dbraw/zinc/02/69/05/271026905.db2.gz KZZMYKABIVXCCK-DOMZBBRYSA-N 2 2 324.490 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479336 271026909 /nfs/dbraw/zinc/02/69/09/271026909.db2.gz KZZMYKABIVXCCK-DOMZBBRYSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479336 271026912 /nfs/dbraw/zinc/02/69/12/271026912.db2.gz KZZMYKABIVXCCK-DOMZBBRYSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@H]1C ZINC000362479336 271026916 /nfs/dbraw/zinc/02/69/16/271026916.db2.gz KZZMYKABIVXCCK-DOMZBBRYSA-N 2 2 324.490 3.148 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614037 271050842 /nfs/dbraw/zinc/05/08/42/271050842.db2.gz GZPQXYRSPNFKIF-PBHICJAKSA-N 2 2 302.466 3.105 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614037 271050845 /nfs/dbraw/zinc/05/08/45/271050845.db2.gz GZPQXYRSPNFKIF-PBHICJAKSA-N 2 2 302.466 3.105 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCCCC2)n1 ZINC000367618928 271052623 /nfs/dbraw/zinc/05/26/23/271052623.db2.gz ULBYQVKBEXEXBY-KRWDZBQOSA-N 2 2 313.449 3.354 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000367697913 271066421 /nfs/dbraw/zinc/06/64/21/271066421.db2.gz DNLGTGWFVCBWDW-MRXNPFEDSA-N 2 2 301.459 3.143 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000367697913 271066425 /nfs/dbraw/zinc/06/64/25/271066425.db2.gz DNLGTGWFVCBWDW-MRXNPFEDSA-N 2 2 301.459 3.143 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367705896 271067694 /nfs/dbraw/zinc/06/76/94/271067694.db2.gz RLBLDAHDNLIHHS-MRXNPFEDSA-N 2 2 300.450 3.257 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367705896 271067698 /nfs/dbraw/zinc/06/76/98/271067698.db2.gz RLBLDAHDNLIHHS-MRXNPFEDSA-N 2 2 300.450 3.257 20 0 DGADLP Fc1ccc(CC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1F ZINC000368668899 271190399 /nfs/dbraw/zinc/19/03/99/271190399.db2.gz ZWJHZNNNXWZKPJ-UHFFFAOYSA-N 2 2 305.372 3.116 20 0 DGADLP COCC1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000368693638 271195854 /nfs/dbraw/zinc/19/58/54/271195854.db2.gz SZPNZIPQSKLSHR-UHFFFAOYSA-N 2 2 322.880 3.463 20 0 DGADLP Fc1cccc(F)c1C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000368697658 271196230 /nfs/dbraw/zinc/19/62/30/271196230.db2.gz AFQKBGNJNZWPNO-UHFFFAOYSA-N 2 2 303.356 3.341 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000369035081 271233614 /nfs/dbraw/zinc/23/36/14/271233614.db2.gz CSWHMAHBWJNCDU-APWZRJJASA-N 2 2 320.440 3.259 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370285395 271350208 /nfs/dbraw/zinc/35/02/08/271350208.db2.gz MINYHQPBBRLLMX-UHFFFAOYSA-N 2 2 321.428 3.003 20 0 DGADLP CCCn1nc(C)c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1C ZINC000370456284 271360985 /nfs/dbraw/zinc/36/09/85/271360985.db2.gz AKWGSVMQWHVDBW-MRXNPFEDSA-N 2 2 315.465 3.082 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000370649309 271379565 /nfs/dbraw/zinc/37/95/65/271379565.db2.gz DDYVLVOMNOWKAE-LBPRGKRZSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000370649309 271379567 /nfs/dbraw/zinc/37/95/67/271379567.db2.gz DDYVLVOMNOWKAE-LBPRGKRZSA-N 2 2 305.809 3.451 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423370462 273687106 /nfs/dbraw/zinc/68/71/06/273687106.db2.gz DMLLBPUHKGQLOG-YMTOWFKASA-N 2 2 315.230 3.163 20 0 DGADLP CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062831 432254944 /nfs/dbraw/zinc/25/49/44/432254944.db2.gz AHPJPAJVHFFNFS-WMZOPIPTSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062831 432254945 /nfs/dbraw/zinc/25/49/45/432254945.db2.gz AHPJPAJVHFFNFS-WMZOPIPTSA-N 2 2 314.477 3.371 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000247972842 432256248 /nfs/dbraw/zinc/25/62/48/432256248.db2.gz JUDORNDQTHXFHC-CHWSQXEVSA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000247972842 432256252 /nfs/dbraw/zinc/25/62/52/432256252.db2.gz JUDORNDQTHXFHC-CHWSQXEVSA-N 2 2 316.898 3.409 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423231908 273474711 /nfs/dbraw/zinc/47/47/11/273474711.db2.gz HKEMXMWPHXGVHS-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245177 273473828 /nfs/dbraw/zinc/47/38/28/273473828.db2.gz YGXBDNAZZALZNO-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCOC)CC1 ZINC000093300546 273774948 /nfs/dbraw/zinc/77/49/48/273774948.db2.gz QGMNYBXUOPKKAT-UHFFFAOYSA-N 2 2 301.434 3.272 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423385272 273974154 /nfs/dbraw/zinc/97/41/54/273974154.db2.gz ILUBSOGVDPIPHP-OQPBUACISA-N 2 2 317.658 3.287 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991431 432258421 /nfs/dbraw/zinc/25/84/21/432258421.db2.gz JLSMCRQYLJJSNR-QLFBSQMISA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991431 432258426 /nfs/dbraw/zinc/25/84/26/432258426.db2.gz JLSMCRQYLJJSNR-QLFBSQMISA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247991431 432258429 /nfs/dbraw/zinc/25/84/29/432258429.db2.gz JLSMCRQYLJJSNR-QLFBSQMISA-N 2 2 305.466 3.449 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247991431 432258433 /nfs/dbraw/zinc/25/84/33/432258433.db2.gz JLSMCRQYLJJSNR-QLFBSQMISA-N 2 2 305.466 3.449 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1nc2ccccc2n1C ZINC000091282971 274247972 /nfs/dbraw/zinc/24/79/72/274247972.db2.gz DTVPDZMDULVUGO-CQSZACIVSA-N 2 2 319.412 3.114 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684128 274262495 /nfs/dbraw/zinc/26/24/95/274262495.db2.gz OHYQPXDALXATNY-RISCZKNCSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684128 274262496 /nfs/dbraw/zinc/26/24/96/274262496.db2.gz OHYQPXDALXATNY-RISCZKNCSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000450832288 274356758 /nfs/dbraw/zinc/35/67/58/274356758.db2.gz UNJUDBUNFFSBJZ-VYDXJSESSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000450832288 274356762 /nfs/dbraw/zinc/35/67/62/274356762.db2.gz UNJUDBUNFFSBJZ-VYDXJSESSA-N 2 2 323.431 3.317 20 0 DGADLP Cc1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)on1 ZINC000280298994 274695773 /nfs/dbraw/zinc/69/57/73/274695773.db2.gz VKDHVZUYJCUIBO-UHFFFAOYSA-N 2 2 310.401 3.478 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986421 432259136 /nfs/dbraw/zinc/25/91/36/432259136.db2.gz ILFNEEYOFYBLLC-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986421 432259137 /nfs/dbraw/zinc/25/91/37/432259137.db2.gz ILFNEEYOFYBLLC-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986421 432259142 /nfs/dbraw/zinc/25/91/42/432259142.db2.gz ILFNEEYOFYBLLC-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247986421 432259148 /nfs/dbraw/zinc/25/91/48/432259148.db2.gz ILFNEEYOFYBLLC-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000494412198 274742729 /nfs/dbraw/zinc/74/27/29/274742729.db2.gz PPLXVWHEDAFTNT-CYBMUJFWSA-N 2 2 320.234 3.059 20 0 DGADLP Clc1cccc2c(N3CCC4(CC[NH2+]C4)CC3)cc[nH+]c12 ZINC000420258017 274884183 /nfs/dbraw/zinc/88/41/83/274884183.db2.gz JLQFODLUSLIUSZ-UHFFFAOYSA-N 2 2 301.821 3.468 20 0 DGADLP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414926641 274964827 /nfs/dbraw/zinc/96/48/27/274964827.db2.gz LBJKMCGHQKLHEC-IBGZPJMESA-N 2 2 322.456 3.300 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc4OC3)CC2)[nH+]c1 ZINC000338027578 275067541 /nfs/dbraw/zinc/06/75/41/275067541.db2.gz LLMVYIZVRZEZNO-GOSISDBHSA-N 2 2 323.440 3.034 20 0 DGADLP Cc1cc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635406 429358502 /nfs/dbraw/zinc/35/85/02/429358502.db2.gz GBSDYRQDQVXXPU-SJLPKXTDSA-N 2 2 310.445 3.498 20 0 DGADLP Cc1cc(NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000511635406 429358505 /nfs/dbraw/zinc/35/85/05/429358505.db2.gz GBSDYRQDQVXXPU-SJLPKXTDSA-N 2 2 310.445 3.498 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422879658 275705521 /nfs/dbraw/zinc/70/55/21/275705521.db2.gz VVWDDGWVXXSTLV-MRRJBJDNSA-N 2 2 312.404 3.019 20 0 DGADLP CC[N@H+](CCNc1nc(C)[nH+]c(C)c1C)CCC(F)(F)F ZINC000491833207 429417703 /nfs/dbraw/zinc/41/77/03/429417703.db2.gz VGKQBLMUFYIKBB-UHFFFAOYSA-N 2 2 304.360 3.088 20 0 DGADLP CC[N@@H+](CCNc1nc(C)[nH+]c(C)c1C)CCC(F)(F)F ZINC000491833207 429417708 /nfs/dbraw/zinc/41/77/08/429417708.db2.gz VGKQBLMUFYIKBB-UHFFFAOYSA-N 2 2 304.360 3.088 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422734625 276336883 /nfs/dbraw/zinc/33/68/83/276336883.db2.gz UJWWDCSNQLDRMH-KVZIAJEVSA-N 3 2 303.494 3.177 20 0 DGADLP CC[N@H+](Cc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435629854 276355290 /nfs/dbraw/zinc/35/52/90/276355290.db2.gz VALKXECEGJEZCQ-ZDUSSCGKSA-N 2 2 322.403 3.395 20 0 DGADLP CC[N@@H+](Cc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435629854 276355291 /nfs/dbraw/zinc/35/52/91/276355291.db2.gz VALKXECEGJEZCQ-ZDUSSCGKSA-N 2 2 322.403 3.395 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421798519 276827532 /nfs/dbraw/zinc/82/75/32/276827532.db2.gz BARBMHLAYGAZBN-VQTJNVASSA-N 2 2 323.484 3.092 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129159773 277083918 /nfs/dbraw/zinc/08/39/18/277083918.db2.gz LBZVGLGHZFSVPM-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129159773 277083919 /nfs/dbraw/zinc/08/39/19/277083919.db2.gz LBZVGLGHZFSVPM-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129159773 277083920 /nfs/dbraw/zinc/08/39/20/277083920.db2.gz LBZVGLGHZFSVPM-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129159773 277083921 /nfs/dbraw/zinc/08/39/21/277083921.db2.gz LBZVGLGHZFSVPM-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP COC1([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000421821385 277190684 /nfs/dbraw/zinc/19/06/84/277190684.db2.gz RDQJFFPEFPTXBG-HNNXBMFYSA-N 2 2 305.466 3.089 20 0 DGADLP C[NH2+]CCC[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000435873983 277267754 /nfs/dbraw/zinc/26/77/54/277267754.db2.gz YPXQYYQOUGKNRY-FQEVSTJZSA-N 2 2 310.441 3.404 20 0 DGADLP C[NH2+]CCC[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000435873983 277267755 /nfs/dbraw/zinc/26/77/55/277267755.db2.gz YPXQYYQOUGKNRY-FQEVSTJZSA-N 2 2 310.441 3.404 20 0 DGADLP COC[C@]1(C[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CCC[NH2+]1 ZINC000423415798 277269720 /nfs/dbraw/zinc/26/97/20/277269720.db2.gz PLJZPOKXVAHHJP-GUDVDZBRSA-N 2 2 302.462 3.229 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000284224483 277275960 /nfs/dbraw/zinc/27/59/60/277275960.db2.gz CYFBXVDFRGXOEG-UHFFFAOYSA-N 2 2 313.449 3.151 20 0 DGADLP C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000423113875 277627802 /nfs/dbraw/zinc/62/78/02/277627802.db2.gz UVMPOZNNJADGCU-ONERCXAPSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccn(C)n1 ZINC000414080233 278261433 /nfs/dbraw/zinc/26/14/33/278261433.db2.gz DAUJQTKFYOWIJH-GRDNDAEWSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccn(C)n1 ZINC000414080233 278261435 /nfs/dbraw/zinc/26/14/35/278261435.db2.gz DAUJQTKFYOWIJH-GRDNDAEWSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422842299 278282907 /nfs/dbraw/zinc/28/29/07/278282907.db2.gz XZEHTZMUQNIECC-BQFCYCMXSA-N 3 2 324.472 3.198 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422842299 278282910 /nfs/dbraw/zinc/28/29/10/278282910.db2.gz XZEHTZMUQNIECC-BQFCYCMXSA-N 3 2 324.472 3.198 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000474482143 278349807 /nfs/dbraw/zinc/34/98/07/278349807.db2.gz XNSGNBSZGNUIGH-CRAIPNDOSA-N 2 2 306.519 3.281 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423060613 278353056 /nfs/dbraw/zinc/35/30/56/278353056.db2.gz IPUIXOKPUKUQKO-FOIQADDNSA-N 2 2 324.472 3.055 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000248038109 288040301 /nfs/dbraw/zinc/04/03/01/288040301.db2.gz SEGMBOPPLXGTSH-BXWFABGCSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1ccc([C@H](CNc2cc(C)cc[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301626931 278857583 /nfs/dbraw/zinc/85/75/83/278857583.db2.gz GYZYZXLDSKQBFL-SFHVURJKSA-N 2 2 311.429 3.184 20 0 DGADLP Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678412 279075739 /nfs/dbraw/zinc/07/57/39/279075739.db2.gz INQZUHYOAFDUMS-KDOFPFPSSA-N 2 2 316.493 3.493 20 0 DGADLP Cc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678412 279075742 /nfs/dbraw/zinc/07/57/42/279075742.db2.gz INQZUHYOAFDUMS-KDOFPFPSSA-N 2 2 316.493 3.493 20 0 DGADLP Cc1nc(NC[C@H](c2cccs2)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000301594801 279112687 /nfs/dbraw/zinc/11/26/87/279112687.db2.gz ZPDIIWPQPBESJO-OAHLLOKOSA-N 2 2 316.474 3.440 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000344769221 279134454 /nfs/dbraw/zinc/13/44/54/279134454.db2.gz JPUUKBJGQIDVFM-HZPDHXFCSA-N 2 2 322.449 3.056 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423195683 279369941 /nfs/dbraw/zinc/36/99/41/279369941.db2.gz YBUOJWBIYAAKHX-HUHSQHJXSA-N 2 2 322.880 3.333 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+](C)C ZINC000069645099 431209802 /nfs/dbraw/zinc/20/98/02/431209802.db2.gz MVGAVSFGDNVMIH-UHFFFAOYSA-N 2 2 320.868 3.184 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069805237 431223760 /nfs/dbraw/zinc/22/37/60/431223760.db2.gz SBHOSHZPCAQFQM-LSDHHAIUSA-N 2 2 324.415 3.070 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069805237 431223768 /nfs/dbraw/zinc/22/37/68/431223768.db2.gz SBHOSHZPCAQFQM-LSDHHAIUSA-N 2 2 324.415 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533494 431252630 /nfs/dbraw/zinc/25/26/30/431252630.db2.gz KOWLZMUIXQSQHF-ZYHUDNBSSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000070533494 431252639 /nfs/dbraw/zinc/25/26/39/431252639.db2.gz KOWLZMUIXQSQHF-ZYHUDNBSSA-N 2 2 315.230 3.147 20 0 DGADLP CC[NH+](CC)CCOc1ccccc1CNc1cc(C)[nH+]cn1 ZINC000112514684 431278209 /nfs/dbraw/zinc/27/82/09/431278209.db2.gz XAVJQSZEOUJTGJ-UHFFFAOYSA-N 2 2 314.433 3.118 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186573523 280234812 /nfs/dbraw/zinc/23/48/12/280234812.db2.gz VDKAGOQFLCCNFY-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186573523 280234813 /nfs/dbraw/zinc/23/48/13/280234813.db2.gz VDKAGOQFLCCNFY-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc[nH+]1 ZINC000119148089 431653582 /nfs/dbraw/zinc/65/35/82/431653582.db2.gz GOZDXXAOXFBLFJ-GOSISDBHSA-N 2 2 324.428 3.349 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119278212 431672070 /nfs/dbraw/zinc/67/20/70/431672070.db2.gz WBEHNLMDSKMLQK-SFHVURJKSA-N 2 2 324.428 3.176 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119278212 431672086 /nfs/dbraw/zinc/67/20/86/431672086.db2.gz WBEHNLMDSKMLQK-SFHVURJKSA-N 2 2 324.428 3.176 20 0 DGADLP Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC000119211802 431662226 /nfs/dbraw/zinc/66/22/26/431662226.db2.gz XOMNDTNTAVBXDK-UHFFFAOYSA-N 2 2 316.449 3.309 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2c(Br)cccc2C1 ZINC000120158289 431724655 /nfs/dbraw/zinc/72/46/55/431724655.db2.gz KVTJMRKOMLQBGC-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2c(Br)cccc2C1 ZINC000120158289 431724659 /nfs/dbraw/zinc/72/46/59/431724659.db2.gz KVTJMRKOMLQBGC-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000120158289 431724665 /nfs/dbraw/zinc/72/46/65/431724665.db2.gz KVTJMRKOMLQBGC-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000120158289 431724669 /nfs/dbraw/zinc/72/46/69/431724669.db2.gz KVTJMRKOMLQBGC-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(CO)c1 ZINC000121483568 431791533 /nfs/dbraw/zinc/79/15/33/431791533.db2.gz STUBGNQHFCWSCA-CQSZACIVSA-N 2 2 309.413 3.339 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1nc2ccccc2n1C)C[NH+]1CCCCC1 ZINC000121581022 431803024 /nfs/dbraw/zinc/80/30/24/431803024.db2.gz FKAKQOUCNNJJPY-HZPDHXFCSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(CO)c1 ZINC000121424177 431784319 /nfs/dbraw/zinc/78/43/19/431784319.db2.gz HYJWRKOFSKAQOD-OAHLLOKOSA-N 2 2 307.397 3.215 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000121411499 431784368 /nfs/dbraw/zinc/78/43/68/431784368.db2.gz JYRYVWCTQKJPIS-KRWDZBQOSA-N 2 2 324.428 3.176 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000038002267 431852890 /nfs/dbraw/zinc/85/28/90/431852890.db2.gz RWVMMLLQCKPOND-SECBINFHSA-N 2 2 303.269 3.255 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000123137756 431856651 /nfs/dbraw/zinc/85/66/51/431856651.db2.gz AAJMJBWMDFJCTR-OXJNMPFZSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000123137756 431856652 /nfs/dbraw/zinc/85/66/52/431856652.db2.gz AAJMJBWMDFJCTR-OXJNMPFZSA-N 2 2 316.489 3.228 20 0 DGADLP Brc1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000044353184 431873748 /nfs/dbraw/zinc/87/37/48/431873748.db2.gz VARBSXLCSBUOEY-UHFFFAOYSA-N 2 2 314.252 3.277 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000123575991 431868930 /nfs/dbraw/zinc/86/89/30/431868930.db2.gz VZDXEUXRBWREEA-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000123575991 431868932 /nfs/dbraw/zinc/86/89/32/431868932.db2.gz VZDXEUXRBWREEA-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP c1c2ccccc2[nH]c1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000122257449 431822234 /nfs/dbraw/zinc/82/22/34/431822234.db2.gz WGNOCSSGAABJSY-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP COCC[NH+]1CCC(Nc2cc(C)[nH+]c3c(F)cccc23)CC1 ZINC000122245670 431822844 /nfs/dbraw/zinc/82/28/44/431822844.db2.gz ZERQPTCLNYBQQI-UHFFFAOYSA-N 2 2 317.408 3.205 20 0 DGADLP Brc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000035054396 431824845 /nfs/dbraw/zinc/82/48/45/431824845.db2.gz AGMJRFSRGLZVHN-UHFFFAOYSA-N 2 2 315.280 3.227 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000092567036 431911114 /nfs/dbraw/zinc/91/11/14/431911114.db2.gz QALJSWSJWAGWBM-SLTXQBBLSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000092567036 431911116 /nfs/dbraw/zinc/91/11/16/431911116.db2.gz QALJSWSJWAGWBM-SLTXQBBLSA-N 2 2 322.493 3.102 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c(F)cccc2N2CCCC2)CC1 ZINC000125286539 431920072 /nfs/dbraw/zinc/92/00/72/431920072.db2.gz DNWFBZUXIFAWJF-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(F)cccc2N2CCCC2)CC1 ZINC000125286539 431920075 /nfs/dbraw/zinc/92/00/75/431920075.db2.gz DNWFBZUXIFAWJF-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP c1ccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC000123987768 431880755 /nfs/dbraw/zinc/88/07/55/431880755.db2.gz CAESFMMWAOEVSG-UHFFFAOYSA-N 2 2 301.478 3.121 20 0 DGADLP CCC(CC)[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000124141285 431884366 /nfs/dbraw/zinc/88/43/66/431884366.db2.gz MQANCMINSUVTJJ-GOSISDBHSA-N 3 2 318.509 3.006 20 0 DGADLP Cc1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000045807060 431889794 /nfs/dbraw/zinc/88/97/94/431889794.db2.gz CEKRTNSMUYTLBE-CQSZACIVSA-N 2 2 306.454 3.027 20 0 DGADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000124702346 431901764 /nfs/dbraw/zinc/90/17/64/431901764.db2.gz YICNXKBXIRQWCY-ULQDDVLXSA-N 2 2 324.472 3.284 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+][C@@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000091279590 431904410 /nfs/dbraw/zinc/90/44/10/431904410.db2.gz WSNDETIENIQAIB-BXWFABGCSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1Cl ZINC000098143738 431980010 /nfs/dbraw/zinc/98/00/10/431980010.db2.gz QJPZIRHBUOODGZ-LSDHHAIUSA-N 2 2 310.869 3.083 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126913826 431960371 /nfs/dbraw/zinc/96/03/71/431960371.db2.gz XWDUKTYIUTUNNZ-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126913826 431960374 /nfs/dbraw/zinc/96/03/74/431960374.db2.gz XWDUKTYIUTUNNZ-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1F ZINC000127025614 431963142 /nfs/dbraw/zinc/96/31/42/431963142.db2.gz WZDUOVKYHYPPSA-SNVBAGLBSA-N 2 2 312.186 3.136 20 0 DGADLP CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248150269 432271791 /nfs/dbraw/zinc/27/17/91/432271791.db2.gz QRRBVPQFPOHYGF-VQIMIIECSA-N 2 2 312.461 3.397 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151776061 432275513 /nfs/dbraw/zinc/27/55/13/432275513.db2.gz WQAQMUJSFFSLIG-NHCUHLMSSA-N 2 2 324.468 3.147 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151776061 432275520 /nfs/dbraw/zinc/27/55/20/432275520.db2.gz WQAQMUJSFFSLIG-NHCUHLMSSA-N 2 2 324.468 3.147 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@H](C(C)(C)C)C3)n2c1 ZINC000270695759 432277813 /nfs/dbraw/zinc/27/78/13/432277813.db2.gz WXCVHZDOHOQCSH-ZBFHGGJFSA-N 2 2 301.434 3.326 20 0 DGADLP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000183292553 432280202 /nfs/dbraw/zinc/28/02/02/432280202.db2.gz YNIRGAJQTQWLBS-GOSISDBHSA-N 2 2 316.493 3.258 20 0 DGADLP C[C@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000248438137 432291967 /nfs/dbraw/zinc/29/19/67/432291967.db2.gz BRTHICWGQFKQNZ-JKSUJKDBSA-N 2 2 321.465 3.278 20 0 DGADLP C[C@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000248438137 432291970 /nfs/dbraw/zinc/29/19/70/432291970.db2.gz BRTHICWGQFKQNZ-JKSUJKDBSA-N 2 2 321.465 3.278 20 0 DGADLP C[C@H](O)[C@@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)Cc1ccccc1 ZINC000191712354 432292717 /nfs/dbraw/zinc/29/27/17/432292717.db2.gz GOGJCEZRISZMDH-OXJNMPFZSA-N 2 2 323.440 3.054 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@@H](C)C3)c2cc1C ZINC000248553136 432300523 /nfs/dbraw/zinc/30/05/23/432300523.db2.gz JIWSLBIBAKLQAT-RHSMWYFYSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@@H](C)C3)c2cc1C ZINC000248553136 432300526 /nfs/dbraw/zinc/30/05/26/432300526.db2.gz JIWSLBIBAKLQAT-RHSMWYFYSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545740 432302458 /nfs/dbraw/zinc/30/24/58/432302458.db2.gz KQDKEJJDPGOEAL-GJZGRUSLSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545740 432302462 /nfs/dbraw/zinc/30/24/62/432302462.db2.gz KQDKEJJDPGOEAL-GJZGRUSLSA-N 2 2 316.449 3.165 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415534 432262577 /nfs/dbraw/zinc/26/25/77/432262577.db2.gz CPKPMJRNDSUIHM-SFHVURJKSA-N 2 2 318.509 3.090 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415534 432262581 /nfs/dbraw/zinc/26/25/81/432262581.db2.gz CPKPMJRNDSUIHM-SFHVURJKSA-N 2 2 318.509 3.090 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415534 432262584 /nfs/dbraw/zinc/26/25/84/432262584.db2.gz CPKPMJRNDSUIHM-SFHVURJKSA-N 2 2 318.509 3.090 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415534 432262587 /nfs/dbraw/zinc/26/25/87/432262587.db2.gz CPKPMJRNDSUIHM-SFHVURJKSA-N 2 2 318.509 3.090 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000191443121 432265592 /nfs/dbraw/zinc/26/55/92/432265592.db2.gz YUSLZNDFZSYUHZ-AAEUAGOBSA-N 2 2 324.222 3.322 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000191443121 432265598 /nfs/dbraw/zinc/26/55/98/432265598.db2.gz YUSLZNDFZSYUHZ-AAEUAGOBSA-N 2 2 324.222 3.322 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000191471573 432267152 /nfs/dbraw/zinc/26/71/52/432267152.db2.gz GVVSYVYCIMJFOZ-UHFFFAOYSA-N 2 2 323.872 3.053 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000191471573 432267157 /nfs/dbraw/zinc/26/71/57/432267157.db2.gz GVVSYVYCIMJFOZ-UHFFFAOYSA-N 2 2 323.872 3.053 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000152264332 432319275 /nfs/dbraw/zinc/31/92/75/432319275.db2.gz MZIDGGRKWUIAPD-CQSZACIVSA-N 2 2 318.465 3.332 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000152264332 432319278 /nfs/dbraw/zinc/31/92/78/432319278.db2.gz MZIDGGRKWUIAPD-CQSZACIVSA-N 2 2 318.465 3.332 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000248890208 432327841 /nfs/dbraw/zinc/32/78/41/432327841.db2.gz RWDFEYWZZTXYLP-PKOBYXMFSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000248890208 432327846 /nfs/dbraw/zinc/32/78/46/432327846.db2.gz RWDFEYWZZTXYLP-PKOBYXMFSA-N 2 2 313.445 3.164 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000249014846 432334148 /nfs/dbraw/zinc/33/41/48/432334148.db2.gz PJZFKTSDGGFTAF-APWZRJJASA-N 2 2 314.477 3.227 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000249014846 432334149 /nfs/dbraw/zinc/33/41/49/432334149.db2.gz PJZFKTSDGGFTAF-APWZRJJASA-N 2 2 314.477 3.227 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271191257 432348353 /nfs/dbraw/zinc/34/83/53/432348353.db2.gz QFMWPYOKYBDFEP-MRXNPFEDSA-N 2 2 309.417 3.041 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271191257 432348356 /nfs/dbraw/zinc/34/83/56/432348356.db2.gz QFMWPYOKYBDFEP-MRXNPFEDSA-N 2 2 309.417 3.041 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271191256 432349239 /nfs/dbraw/zinc/34/92/39/432349239.db2.gz QFMWPYOKYBDFEP-INIZCTEOSA-N 2 2 309.417 3.041 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271191256 432349241 /nfs/dbraw/zinc/34/92/41/432349241.db2.gz QFMWPYOKYBDFEP-INIZCTEOSA-N 2 2 309.417 3.041 20 0 DGADLP FC(F)COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271193460 432349720 /nfs/dbraw/zinc/34/97/20/432349720.db2.gz NTDRSBBEYSIRAI-UHFFFAOYSA-N 2 2 321.371 3.433 20 0 DGADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000271196900 432349887 /nfs/dbraw/zinc/34/98/87/432349887.db2.gz OUJGVVKEBNSXNZ-UHFFFAOYSA-N 2 2 301.365 3.001 20 0 DGADLP CCOc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1OC ZINC000271200604 432353132 /nfs/dbraw/zinc/35/31/32/432353132.db2.gz QDKZNGRJGGSNOA-UHFFFAOYSA-N 2 2 315.417 3.197 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000270946160 432304935 /nfs/dbraw/zinc/30/49/35/432304935.db2.gz ZLWAGHDLVZSTSA-INIZCTEOSA-N 2 2 323.799 3.058 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000270946160 432304939 /nfs/dbraw/zinc/30/49/39/432304939.db2.gz ZLWAGHDLVZSTSA-INIZCTEOSA-N 2 2 323.799 3.058 20 0 DGADLP Cc1[nH+]cc(C[N@H+](CCO)Cc2ccccc2)n1-c1ccccc1 ZINC000270993950 432313023 /nfs/dbraw/zinc/31/30/23/432313023.db2.gz JBXOLFXUGHCXQG-UHFFFAOYSA-N 2 2 321.424 3.175 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](CCO)Cc2ccccc2)n1-c1ccccc1 ZINC000270993950 432313027 /nfs/dbraw/zinc/31/30/27/432313027.db2.gz JBXOLFXUGHCXQG-UHFFFAOYSA-N 2 2 321.424 3.175 20 0 DGADLP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000184286484 432374281 /nfs/dbraw/zinc/37/42/81/432374281.db2.gz BNFFCOQLBZTLMK-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)C2 ZINC000192444330 432375254 /nfs/dbraw/zinc/37/52/54/432375254.db2.gz GGVBVAIXIXUKOH-MRXNPFEDSA-N 2 2 311.429 3.039 20 0 DGADLP Brc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252675296 432386978 /nfs/dbraw/zinc/38/69/78/432386978.db2.gz ZJNRCWJDQISDEK-KGLIPLIRSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252675296 432386981 /nfs/dbraw/zinc/38/69/81/432386981.db2.gz ZJNRCWJDQISDEK-KGLIPLIRSA-N 2 2 309.251 3.166 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000253189190 432387566 /nfs/dbraw/zinc/38/75/66/432387566.db2.gz KFOUHOBCPIZFTD-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C[C@H]1C[NH3+] ZINC000253189190 432387570 /nfs/dbraw/zinc/38/75/70/432387570.db2.gz KFOUHOBCPIZFTD-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000253196407 432389562 /nfs/dbraw/zinc/38/95/62/432389562.db2.gz STONVSTYFGAUMI-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C[C@H]1C[NH3+] ZINC000253196407 432389565 /nfs/dbraw/zinc/38/95/65/432389565.db2.gz STONVSTYFGAUMI-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cc(NC(=O)C[N@@H+](C)C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000192589492 432391031 /nfs/dbraw/zinc/39/10/31/432391031.db2.gz NJPTZHFTPAVTJQ-UHFFFAOYSA-N 2 2 313.401 3.461 20 0 DGADLP Cc1cc(NC(=O)C[N@H+](C)C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000192589492 432391035 /nfs/dbraw/zinc/39/10/35/432391035.db2.gz NJPTZHFTPAVTJQ-UHFFFAOYSA-N 2 2 313.401 3.461 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271460807 432400780 /nfs/dbraw/zinc/40/07/80/432400780.db2.gz GABNKRVUMATDOR-LJQANCHMSA-N 2 2 324.472 3.084 20 0 DGADLP c1[nH]nc2c1CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271460807 432400786 /nfs/dbraw/zinc/40/07/86/432400786.db2.gz GABNKRVUMATDOR-LJQANCHMSA-N 2 2 324.472 3.084 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)[C@@H](C)C1 ZINC000271479807 432403362 /nfs/dbraw/zinc/40/33/62/432403362.db2.gz DERQHSHYAYIXDW-ZOBUZTSGSA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)[C@@H](C)C1 ZINC000271479807 432403366 /nfs/dbraw/zinc/40/33/66/432403366.db2.gz DERQHSHYAYIXDW-ZOBUZTSGSA-N 2 2 323.456 3.008 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000184554366 432405106 /nfs/dbraw/zinc/40/51/06/432405106.db2.gz ORDZCJIRBUEFEC-IKGGRYGDSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000184554366 432405110 /nfs/dbraw/zinc/40/51/10/432405110.db2.gz ORDZCJIRBUEFEC-IKGGRYGDSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000184554366 432405111 /nfs/dbraw/zinc/40/51/11/432405111.db2.gz ORDZCJIRBUEFEC-IKGGRYGDSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000184554366 432405115 /nfs/dbraw/zinc/40/51/15/432405115.db2.gz ORDZCJIRBUEFEC-IKGGRYGDSA-N 2 2 302.466 3.124 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000153662130 432429880 /nfs/dbraw/zinc/42/98/80/432429880.db2.gz YWAQAXAKJHTRBO-CYBMUJFWSA-N 2 2 313.380 3.079 20 0 DGADLP CC(C)C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271943293 432430085 /nfs/dbraw/zinc/43/00/85/432430085.db2.gz BCZMSDNBQQTDGX-ROUUACIJSA-N 2 2 317.477 3.234 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]12 ZINC000261601798 432432931 /nfs/dbraw/zinc/43/29/31/432432931.db2.gz BTXZTKUVWQTRIB-COPLHBTASA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]12 ZINC000261601798 432432934 /nfs/dbraw/zinc/43/29/34/432432934.db2.gz BTXZTKUVWQTRIB-COPLHBTASA-N 2 2 302.315 3.014 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000261619125 432435136 /nfs/dbraw/zinc/43/51/36/432435136.db2.gz UKVRNLCOHSJXLW-AWEZNQCLSA-N 2 2 303.233 3.043 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000261619125 432435140 /nfs/dbraw/zinc/43/51/40/432435140.db2.gz UKVRNLCOHSJXLW-AWEZNQCLSA-N 2 2 303.233 3.043 20 0 DGADLP CCCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261616798 432435685 /nfs/dbraw/zinc/43/56/85/432435685.db2.gz CVYHLYHDGANNRW-VQTJNVASSA-N 2 2 310.441 3.402 20 0 DGADLP CCCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261616798 432435688 /nfs/dbraw/zinc/43/56/88/432435688.db2.gz CVYHLYHDGANNRW-VQTJNVASSA-N 2 2 310.441 3.402 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261630841 432436707 /nfs/dbraw/zinc/43/67/07/432436707.db2.gz FKEGCBMIGDPQJU-KXBFYZLASA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261630841 432436712 /nfs/dbraw/zinc/43/67/12/432436712.db2.gz FKEGCBMIGDPQJU-KXBFYZLASA-N 2 2 317.477 3.116 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261712965 432444381 /nfs/dbraw/zinc/44/43/81/432444381.db2.gz PGQIPJXRDLNCDX-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261712965 432444384 /nfs/dbraw/zinc/44/43/84/432444384.db2.gz PGQIPJXRDLNCDX-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153885003 432451483 /nfs/dbraw/zinc/45/14/83/432451483.db2.gz UYXCSDLFSZGBDD-IIDMSEBBSA-N 2 2 317.477 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153885003 432451485 /nfs/dbraw/zinc/45/14/85/432451485.db2.gz UYXCSDLFSZGBDD-IIDMSEBBSA-N 2 2 317.477 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1cscn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272148383 432452167 /nfs/dbraw/zinc/45/21/67/432452167.db2.gz CVDBGGDUFSXSNE-GDBMZVCRSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]([NH2+]Cc1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148383 432452170 /nfs/dbraw/zinc/45/21/70/432452170.db2.gz CVDBGGDUFSXSNE-GDBMZVCRSA-N 2 2 301.459 3.143 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000261914065 432459675 /nfs/dbraw/zinc/45/96/75/432459675.db2.gz GRJGDMZLKCXVAQ-AWEZNQCLSA-N 2 2 324.852 3.075 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000261914065 432459677 /nfs/dbraw/zinc/45/96/77/432459677.db2.gz GRJGDMZLKCXVAQ-AWEZNQCLSA-N 2 2 324.852 3.075 20 0 DGADLP COc1c(C)cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1C ZINC000261841404 432455372 /nfs/dbraw/zinc/45/53/72/432455372.db2.gz PEOTZQWEKFTLPB-RBUKOAKNSA-N 2 2 310.441 3.239 20 0 DGADLP COc1c(C)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1C ZINC000261841404 432455376 /nfs/dbraw/zinc/45/53/76/432455376.db2.gz PEOTZQWEKFTLPB-RBUKOAKNSA-N 2 2 310.441 3.239 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000261864833 432456955 /nfs/dbraw/zinc/45/69/55/432456955.db2.gz WUUYYOWFXJKENC-RBUKOAKNSA-N 2 2 302.462 3.153 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000261864833 432456960 /nfs/dbraw/zinc/45/69/60/432456960.db2.gz WUUYYOWFXJKENC-RBUKOAKNSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1C ZINC000192851888 432421821 /nfs/dbraw/zinc/42/18/21/432421821.db2.gz MNQPTKHDNRKFKD-UONOGXRCSA-N 2 2 309.417 3.326 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000175321825 432423048 /nfs/dbraw/zinc/42/30/48/432423048.db2.gz GAVYYUAJXHVAOD-KFWWJZLASA-N 2 2 312.417 3.072 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000262057400 432471413 /nfs/dbraw/zinc/47/14/13/432471413.db2.gz DQSBYHYPGJYEDY-COXVUDFISA-N 2 2 308.441 3.270 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000262057404 432471473 /nfs/dbraw/zinc/47/14/73/432471473.db2.gz DQSBYHYPGJYEDY-XOKHGSTOSA-N 2 2 308.441 3.270 20 0 DGADLP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)([NH+](C)C)C1 ZINC000262132000 432475641 /nfs/dbraw/zinc/47/56/41/432475641.db2.gz LNSHYLPCWDMQAN-FQBWVUSXSA-N 3 2 307.526 3.007 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)c1 ZINC000262115630 432475958 /nfs/dbraw/zinc/47/59/58/432475958.db2.gz WVMZHOLULFEBGN-OAHLLOKOSA-N 2 2 305.472 3.057 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)c1 ZINC000262115630 432475961 /nfs/dbraw/zinc/47/59/61/432475961.db2.gz WVMZHOLULFEBGN-OAHLLOKOSA-N 2 2 305.472 3.057 20 0 DGADLP CC1(C)CC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC(C)(C)[NH2+]1 ZINC000175976972 432481633 /nfs/dbraw/zinc/48/16/33/432481633.db2.gz UFBLUQATXNNQDB-UHFFFAOYSA-N 2 2 312.461 3.476 20 0 DGADLP CC1(C)CC([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC(C)(C)[NH2+]1 ZINC000175976972 432481635 /nfs/dbraw/zinc/48/16/35/432481635.db2.gz UFBLUQATXNNQDB-UHFFFAOYSA-N 2 2 312.461 3.476 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000262382426 432485191 /nfs/dbraw/zinc/48/51/91/432485191.db2.gz YXDSHLNTFZHQOE-JKSUJKDBSA-N 2 2 302.466 3.405 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000262419626 432485673 /nfs/dbraw/zinc/48/56/73/432485673.db2.gz DWIYKEBXSLQRDG-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000262419626 432485674 /nfs/dbraw/zinc/48/56/74/432485674.db2.gz DWIYKEBXSLQRDG-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000262469772 432487348 /nfs/dbraw/zinc/48/73/48/432487348.db2.gz JDJRBTIRMOVPFE-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000262469772 432487351 /nfs/dbraw/zinc/48/73/51/432487351.db2.gz JDJRBTIRMOVPFE-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C2CCCCC2)cc1 ZINC000154316823 432489960 /nfs/dbraw/zinc/48/99/60/432489960.db2.gz AKXWJPJZHJDKFY-KXBFYZLASA-N 2 2 304.478 3.307 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@](C)([NH3+])CCC)cc2[nH+]1 ZINC000262657072 432495699 /nfs/dbraw/zinc/49/56/99/432495699.db2.gz MUGOKOTZXYUUOC-KRWDZBQOSA-N 2 2 302.422 3.362 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000154542297 432505357 /nfs/dbraw/zinc/50/53/57/432505357.db2.gz IGPBRJMPQYHAMN-WCQYABFASA-N 2 2 314.376 3.041 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000154542297 432505361 /nfs/dbraw/zinc/50/53/61/432505361.db2.gz IGPBRJMPQYHAMN-WCQYABFASA-N 2 2 314.376 3.041 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC000261923323 432461064 /nfs/dbraw/zinc/46/10/64/432461064.db2.gz BWIYIBGFMOVGQH-IFXJQAMLSA-N 2 2 312.413 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC000261923323 432461073 /nfs/dbraw/zinc/46/10/73/432461073.db2.gz BWIYIBGFMOVGQH-IFXJQAMLSA-N 2 2 312.413 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2)cc1 ZINC000261923327 432461951 /nfs/dbraw/zinc/46/19/51/432461951.db2.gz BWIYIBGFMOVGQH-LIRRHRJNSA-N 2 2 312.413 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2)cc1 ZINC000261923327 432461957 /nfs/dbraw/zinc/46/19/57/432461957.db2.gz BWIYIBGFMOVGQH-LIRRHRJNSA-N 2 2 312.413 3.267 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261927569 432462037 /nfs/dbraw/zinc/46/20/37/432462037.db2.gz LCWZYUXFMMTAKA-QGZVFWFLSA-N 2 2 302.368 3.130 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261927569 432462040 /nfs/dbraw/zinc/46/20/40/432462040.db2.gz LCWZYUXFMMTAKA-QGZVFWFLSA-N 2 2 302.368 3.130 20 0 DGADLP [NH3+][C@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261927566 432462552 /nfs/dbraw/zinc/46/25/52/432462552.db2.gz LCWZYUXFMMTAKA-KRWDZBQOSA-N 2 2 302.368 3.130 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261927566 432462556 /nfs/dbraw/zinc/46/25/56/432462556.db2.gz LCWZYUXFMMTAKA-KRWDZBQOSA-N 2 2 302.368 3.130 20 0 DGADLP Clc1ccc2[nH]c([C@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261946243 432463701 /nfs/dbraw/zinc/46/37/01/432463701.db2.gz NJPXCCQPNWUHQC-MLGOLLRUSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2[nH]c([C@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000261946243 432463705 /nfs/dbraw/zinc/46/37/05/432463705.db2.gz NJPXCCQPNWUHQC-MLGOLLRUSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946243 432463708 /nfs/dbraw/zinc/46/37/08/432463708.db2.gz NJPXCCQPNWUHQC-MLGOLLRUSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@H]3CCC[N@H+]3C[C@@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946243 432463713 /nfs/dbraw/zinc/46/37/13/432463713.db2.gz NJPXCCQPNWUHQC-MLGOLLRUSA-N 2 2 318.852 3.353 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261951894 432464545 /nfs/dbraw/zinc/46/45/45/432464545.db2.gz OBGXVKHEFYUAHT-QGZVFWFLSA-N 2 2 324.472 3.281 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261951894 432464550 /nfs/dbraw/zinc/46/45/50/432464550.db2.gz OBGXVKHEFYUAHT-QGZVFWFLSA-N 2 2 324.472 3.281 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000154016851 432465055 /nfs/dbraw/zinc/46/50/55/432465055.db2.gz XNLIIOWUOZMXQW-TVFCKZIOSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226117 432465084 /nfs/dbraw/zinc/46/50/84/432465084.db2.gz GUSFQOYOZKQJKM-HLLBOEOZSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226117 432465089 /nfs/dbraw/zinc/46/50/89/432465089.db2.gz GUSFQOYOZKQJKM-HLLBOEOZSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000154016851 432465059 /nfs/dbraw/zinc/46/50/59/432465059.db2.gz XNLIIOWUOZMXQW-TVFCKZIOSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000154016851 432465064 /nfs/dbraw/zinc/46/50/64/432465064.db2.gz XNLIIOWUOZMXQW-TVFCKZIOSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000154016851 432465067 /nfs/dbraw/zinc/46/50/67/432465067.db2.gz XNLIIOWUOZMXQW-TVFCKZIOSA-N 2 2 319.493 3.125 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N2CCCC2)o1 ZINC000154059945 432468035 /nfs/dbraw/zinc/46/80/35/432468035.db2.gz BKAHNLNLILPTRP-GOSISDBHSA-N 2 2 319.493 3.187 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccnc1 ZINC000176815060 432555745 /nfs/dbraw/zinc/55/57/45/432555745.db2.gz QURPKPWYKFDMDO-QGZVFWFLSA-N 2 2 317.477 3.015 20 0 DGADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162570 432560231 /nfs/dbraw/zinc/56/02/31/432560231.db2.gz ACSZYCIQTCXNDF-GXTWGEPZSA-N 2 2 317.462 3.045 20 0 DGADLP Cc1nnc([C@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162570 432560232 /nfs/dbraw/zinc/56/02/32/432560232.db2.gz ACSZYCIQTCXNDF-GXTWGEPZSA-N 2 2 317.462 3.045 20 0 DGADLP C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186540194 432604938 /nfs/dbraw/zinc/60/49/38/432604938.db2.gz ZMHIJSHANGCFHE-WMLDXEAASA-N 2 2 311.385 3.240 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000156686121 432604944 /nfs/dbraw/zinc/60/49/44/432604944.db2.gz BNINJAFPIVTWCY-QZTJIDSGSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686121 432604946 /nfs/dbraw/zinc/60/49/46/432604946.db2.gz BNINJAFPIVTWCY-QZTJIDSGSA-N 3 2 307.526 3.248 20 0 DGADLP CCn1cc([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)cn1 ZINC000155841381 432577209 /nfs/dbraw/zinc/57/72/09/432577209.db2.gz XISJVPBACZDZQX-AWEZNQCLSA-N 2 2 311.433 3.302 20 0 DGADLP c1cn(-c2ccc(C[N@@H+](Cc3ccccc3)C3CC3)cn2)c[nH+]1 ZINC000177245396 432602052 /nfs/dbraw/zinc/60/20/52/432602052.db2.gz UPFVRIOWCAACCM-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP c1cn(-c2ccc(C[N@H+](Cc3ccccc3)C3CC3)cn2)c[nH+]1 ZINC000177245396 432602057 /nfs/dbraw/zinc/60/20/57/432602057.db2.gz UPFVRIOWCAACCM-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000156686241 432604758 /nfs/dbraw/zinc/60/47/58/432604758.db2.gz BNINJAFPIVTWCY-ZWKOTPCHSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686241 432604762 /nfs/dbraw/zinc/60/47/62/432604762.db2.gz BNINJAFPIVTWCY-ZWKOTPCHSA-N 3 2 307.526 3.248 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000274221113 432639969 /nfs/dbraw/zinc/63/99/69/432639969.db2.gz YXOCJBSKHUZQPK-OAHLLOKOSA-N 2 2 318.490 3.022 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423532406 282036376 /nfs/dbraw/zinc/03/63/76/282036376.db2.gz RBQGUIBDSYOMCM-BHYGNILZSA-N 2 2 313.470 3.174 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000274388799 432660153 /nfs/dbraw/zinc/66/01/53/432660153.db2.gz VCWXCJIRSKHFLD-RWQQGDIJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000274388799 432660154 /nfs/dbraw/zinc/66/01/54/432660154.db2.gz VCWXCJIRSKHFLD-RWQQGDIJSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc2nc(C[N@H+](C)CCCn3cc[nH+]c3)sc2c1 ZINC000187368904 432660729 /nfs/dbraw/zinc/66/07/29/432660729.db2.gz SFJPITBBJOGRGN-UHFFFAOYSA-N 2 2 316.430 3.024 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)CCCn3cc[nH+]c3)sc2c1 ZINC000187368904 432660733 /nfs/dbraw/zinc/66/07/33/432660733.db2.gz SFJPITBBJOGRGN-UHFFFAOYSA-N 2 2 316.430 3.024 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H](c1ccccc1)[NH+](C)C ZINC000274407991 432664411 /nfs/dbraw/zinc/66/44/11/432664411.db2.gz HGMNXGUFRXTKTA-FOIQADDNSA-N 2 2 322.456 3.354 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000178120203 432696971 /nfs/dbraw/zinc/69/69/71/432696971.db2.gz KPVCNKLCTGGFDR-CABCVRRESA-N 2 2 310.482 3.103 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000178120203 432696975 /nfs/dbraw/zinc/69/69/75/432696975.db2.gz KPVCNKLCTGGFDR-CABCVRRESA-N 2 2 310.482 3.103 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000178187351 432704547 /nfs/dbraw/zinc/70/45/47/432704547.db2.gz MBIALGWDVIZPFX-VQIMIIECSA-N 2 2 320.477 3.237 20 0 DGADLP CC(C)[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000188168986 432709643 /nfs/dbraw/zinc/70/96/43/432709643.db2.gz MPJBEATTZPSCMK-KRWDZBQOSA-N 2 2 316.424 3.101 20 0 DGADLP CC[C@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+](CC)CC ZINC000265563461 432710219 /nfs/dbraw/zinc/71/02/19/432710219.db2.gz GADUFTNSDSGLMW-MRXNPFEDSA-N 2 2 314.433 3.146 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000228659912 432718131 /nfs/dbraw/zinc/71/81/31/432718131.db2.gz JAMQBQWZPRZZOO-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1Cl ZINC000228659912 432718134 /nfs/dbraw/zinc/71/81/34/432718134.db2.gz JAMQBQWZPRZZOO-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332464 432722205 /nfs/dbraw/zinc/72/22/05/432722205.db2.gz PWONNPFIWPWXEZ-SJLPKXTDSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332464 432722207 /nfs/dbraw/zinc/72/22/07/432722207.db2.gz PWONNPFIWPWXEZ-SJLPKXTDSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223030164 432674770 /nfs/dbraw/zinc/67/47/70/432674770.db2.gz PYDMCLHYAIQXQE-XHDPSFHLSA-N 2 2 320.234 3.311 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C[C@@H]1O ZINC000187682414 432676575 /nfs/dbraw/zinc/67/65/75/432676575.db2.gz JZJYAEROJHXXLH-SJORKVTESA-N 2 2 322.880 3.053 20 0 DGADLP Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265352192 432691308 /nfs/dbraw/zinc/69/13/08/432691308.db2.gz KPTKFKZHHJFZOE-CQSZACIVSA-N 2 2 302.447 3.439 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)c2ccccc21 ZINC000274629654 432691584 /nfs/dbraw/zinc/69/15/84/432691584.db2.gz YOPACURQZGRLLG-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c2ccccc21 ZINC000274629654 432691589 /nfs/dbraw/zinc/69/15/89/432691589.db2.gz YOPACURQZGRLLG-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)c1C ZINC000275753540 432746890 /nfs/dbraw/zinc/74/68/90/432746890.db2.gz RZNLNEMTPSTWHE-OAHLLOKOSA-N 2 2 317.477 3.094 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)CCO1 ZINC000178532065 432748895 /nfs/dbraw/zinc/74/88/95/432748895.db2.gz NWZRLKTUOKYHOK-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)CCO1 ZINC000178532065 432748898 /nfs/dbraw/zinc/74/88/98/432748898.db2.gz NWZRLKTUOKYHOK-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000236793815 432764941 /nfs/dbraw/zinc/76/49/41/432764941.db2.gz HWSBUSWFMMUEBN-UHFFFAOYSA-N 2 2 319.468 3.390 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000266573650 432766990 /nfs/dbraw/zinc/76/69/90/432766990.db2.gz FHBCTAZHYCTIIV-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000266573650 432766994 /nfs/dbraw/zinc/76/69/94/432766994.db2.gz FHBCTAZHYCTIIV-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC2([NH+](C)C)CCC2)c1C ZINC000275498572 432726909 /nfs/dbraw/zinc/72/69/09/432726909.db2.gz SHJBNYQGURSUAQ-UHFFFAOYSA-N 2 2 311.433 3.052 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296295 432730243 /nfs/dbraw/zinc/73/02/43/432730243.db2.gz BDWWFFPZHHBWOF-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296295 432730244 /nfs/dbraw/zinc/73/02/44/432730244.db2.gz BDWWFFPZHHBWOF-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296295 432730245 /nfs/dbraw/zinc/73/02/45/432730245.db2.gz BDWWFFPZHHBWOF-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296295 432730246 /nfs/dbraw/zinc/73/02/46/432730246.db2.gz BDWWFFPZHHBWOF-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+](CC)CC ZINC000265788324 432730832 /nfs/dbraw/zinc/73/08/32/432730832.db2.gz HVCRXDWYRSCHDG-OAHLLOKOSA-N 2 2 300.406 3.136 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178434022 432735891 /nfs/dbraw/zinc/73/58/91/432735891.db2.gz OTZYUXMSLANIMS-PBHICJAKSA-N 2 2 301.434 3.320 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000154223498 292673598 /nfs/dbraw/zinc/67/35/98/292673598.db2.gz BLAFPFPTKGCKJD-QFBILLFUSA-N 2 2 320.477 3.237 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000162439715 432823441 /nfs/dbraw/zinc/82/34/41/432823441.db2.gz WDLHWAQZYTWKDV-CQSZACIVSA-N 2 2 324.440 3.370 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267282141 432828469 /nfs/dbraw/zinc/82/84/69/432828469.db2.gz OZPLMJFQOCVSBK-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267282141 432828471 /nfs/dbraw/zinc/82/84/71/432828471.db2.gz OZPLMJFQOCVSBK-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C[NH+]1CCCCC1)CC2 ZINC000162592385 432828638 /nfs/dbraw/zinc/82/86/38/432828638.db2.gz VWOCEUUZOPWXEI-QAPCUYQASA-N 2 2 302.462 3.017 20 0 DGADLP C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161524535 432783886 /nfs/dbraw/zinc/78/38/86/432783886.db2.gz OOBGQJOXCHTIHS-VQIMIIECSA-N 2 2 321.424 3.299 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179039619 432798042 /nfs/dbraw/zinc/79/80/42/432798042.db2.gz INZOMYQKQOBBEO-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179039619 432798047 /nfs/dbraw/zinc/79/80/47/432798047.db2.gz INZOMYQKQOBBEO-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP CCSc1cc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)ccn1 ZINC000189599789 432803279 /nfs/dbraw/zinc/80/32/79/432803279.db2.gz OJIJJCPYBAELQW-UHFFFAOYSA-N 2 2 312.442 3.440 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237988534 432807809 /nfs/dbraw/zinc/80/78/09/432807809.db2.gz QRMBQLUNGTTWOV-KRWDZBQOSA-N 2 2 323.396 3.202 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)[nH]1 ZINC000276451412 432809012 /nfs/dbraw/zinc/80/90/12/432809012.db2.gz NASRWSPCBLLRSJ-KRWDZBQOSA-N 2 2 311.429 3.157 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)[nH]1 ZINC000276451412 432809016 /nfs/dbraw/zinc/80/90/16/432809016.db2.gz NASRWSPCBLLRSJ-KRWDZBQOSA-N 2 2 311.429 3.157 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@H](C)O1 ZINC000276461373 432810580 /nfs/dbraw/zinc/81/05/80/432810580.db2.gz WPGOKHWTCYYXPB-BHYGNILZSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@H](C)O1 ZINC000276461373 432810581 /nfs/dbraw/zinc/81/05/81/432810581.db2.gz WPGOKHWTCYYXPB-BHYGNILZSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc4c(n3)CCCC4)n2c1 ZINC000277668998 432869054 /nfs/dbraw/zinc/86/90/54/432869054.db2.gz HVVWPKDNHOQTIC-UHFFFAOYSA-N 2 2 306.413 3.206 20 0 DGADLP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000245919277 432870409 /nfs/dbraw/zinc/87/04/09/432870409.db2.gz GIVGCTOBNKJDDG-MOPGFXCFSA-N 3 2 319.537 3.392 20 0 DGADLP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000245919277 432870413 /nfs/dbraw/zinc/87/04/13/432870413.db2.gz GIVGCTOBNKJDDG-MOPGFXCFSA-N 3 2 319.537 3.392 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)o2)[C@H](C)C1 ZINC000245989377 432873998 /nfs/dbraw/zinc/87/39/98/432873998.db2.gz FUFBVHYZUJLJBR-QAPCUYQASA-N 2 2 308.466 3.069 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)o2)[C@H](C)C1 ZINC000245989377 432873999 /nfs/dbraw/zinc/87/39/99/432873999.db2.gz FUFBVHYZUJLJBR-QAPCUYQASA-N 2 2 308.466 3.069 20 0 DGADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277846678 432878406 /nfs/dbraw/zinc/87/84/06/432878406.db2.gz MHLFEOYKNAKOOO-QGZVFWFLSA-N 2 2 320.477 3.064 20 0 DGADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277846678 432878407 /nfs/dbraw/zinc/87/84/07/432878407.db2.gz MHLFEOYKNAKOOO-QGZVFWFLSA-N 2 2 320.477 3.064 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000268036021 432839902 /nfs/dbraw/zinc/83/99/02/432839902.db2.gz QJPJBKGVIJWYDJ-HNNXBMFYSA-N 2 2 318.465 3.475 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000268036021 432839904 /nfs/dbraw/zinc/83/99/04/432839904.db2.gz QJPJBKGVIJWYDJ-HNNXBMFYSA-N 2 2 318.465 3.475 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1nccs1 ZINC000268044492 432840218 /nfs/dbraw/zinc/84/02/18/432840218.db2.gz PQVSZRDIDVGEBH-RDJZCZTQSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1nccs1 ZINC000268044492 432840221 /nfs/dbraw/zinc/84/02/21/432840221.db2.gz PQVSZRDIDVGEBH-RDJZCZTQSA-N 2 2 315.486 3.186 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)c1ccc(OC)cc1 ZINC000245609310 432848522 /nfs/dbraw/zinc/84/85/22/432848522.db2.gz AOWQGWFCUBGDOC-JQHSSLGASA-N 2 2 302.462 3.357 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)c1ccc(OC)cc1 ZINC000245609310 432848526 /nfs/dbraw/zinc/84/85/26/432848526.db2.gz AOWQGWFCUBGDOC-JQHSSLGASA-N 2 2 302.462 3.357 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)c1ccc(OC)cc1 ZINC000245609310 432848529 /nfs/dbraw/zinc/84/85/29/432848529.db2.gz AOWQGWFCUBGDOC-JQHSSLGASA-N 2 2 302.462 3.357 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)c1ccc(OC)cc1 ZINC000245609310 432848533 /nfs/dbraw/zinc/84/85/33/432848533.db2.gz AOWQGWFCUBGDOC-JQHSSLGASA-N 2 2 302.462 3.357 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000245612440 432849633 /nfs/dbraw/zinc/84/96/33/432849633.db2.gz UBQUPZIFNBUGIH-IOMROCGXSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000245612440 432849635 /nfs/dbraw/zinc/84/96/35/432849635.db2.gz UBQUPZIFNBUGIH-IOMROCGXSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245691384 432856363 /nfs/dbraw/zinc/85/63/63/432856363.db2.gz QJQICTHVTLQMET-AEFFLSMTSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245691384 432856366 /nfs/dbraw/zinc/85/63/66/432856366.db2.gz QJQICTHVTLQMET-AEFFLSMTSA-N 2 2 313.445 3.462 20 0 DGADLP COC(=O)c1ccc(C[N@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289157988 432928888 /nfs/dbraw/zinc/92/88/88/432928888.db2.gz QVTHALHQKQXECT-UHFFFAOYSA-N 2 2 312.413 3.241 20 0 DGADLP COC(=O)c1ccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289157988 432928890 /nfs/dbraw/zinc/92/88/90/432928890.db2.gz QVTHALHQKQXECT-UHFFFAOYSA-N 2 2 312.413 3.241 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000289240244 432936532 /nfs/dbraw/zinc/93/65/32/432936532.db2.gz LBCWEAMJIAWMJC-IBGZPJMESA-N 2 2 315.436 3.354 20 0 DGADLP C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289253340 432937567 /nfs/dbraw/zinc/93/75/67/432937567.db2.gz BQHNFYAJSSIJRG-SUMWQHHRSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCc1c[nH+]cn1C ZINC000289253340 432937569 /nfs/dbraw/zinc/93/75/69/432937569.db2.gz BQHNFYAJSSIJRG-SUMWQHHRSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321424 432945165 /nfs/dbraw/zinc/94/51/65/432945165.db2.gz GGWDWTGKJTXFGE-GXFFZTMASA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321424 432945167 /nfs/dbraw/zinc/94/51/67/432945167.db2.gz GGWDWTGKJTXFGE-GXFFZTMASA-N 2 2 317.260 3.099 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000289359866 432948452 /nfs/dbraw/zinc/94/84/52/432948452.db2.gz ZCGVZUJOFPISQV-HNNXBMFYSA-N 2 2 315.392 3.308 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512411 432896424 /nfs/dbraw/zinc/89/64/24/432896424.db2.gz BLFYZUQDBHPLET-HSALFYBXSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512411 432896429 /nfs/dbraw/zinc/89/64/29/432896429.db2.gz BLFYZUQDBHPLET-HSALFYBXSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512411 432896430 /nfs/dbraw/zinc/89/64/30/432896430.db2.gz BLFYZUQDBHPLET-HSALFYBXSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3C[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512411 432896433 /nfs/dbraw/zinc/89/64/33/432896433.db2.gz BLFYZUQDBHPLET-HSALFYBXSA-N 2 2 314.473 3.009 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000278789605 432900031 /nfs/dbraw/zinc/90/00/31/432900031.db2.gz QHIRRWXNXDJHDO-SWLSCSKDSA-N 2 2 310.438 3.083 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000278829023 432906133 /nfs/dbraw/zinc/90/61/33/432906133.db2.gz TXIWOUWDTMBTCA-ZDUSSCGKSA-N 2 2 320.433 3.124 20 0 DGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000296423460 432906437 /nfs/dbraw/zinc/90/64/37/432906437.db2.gz MVPNIWVASWVYNP-GPMSIDNRSA-N 2 2 301.478 3.460 20 0 DGADLP COC(=O)c1cc(C[N@H+](C)CCCc2c[nH+]ccc2C)oc1C ZINC000289037649 432915601 /nfs/dbraw/zinc/91/56/01/432915601.db2.gz HOLDFRRYSJABFQ-UHFFFAOYSA-N 2 2 316.401 3.143 20 0 DGADLP COC(=O)c1cc(C[N@@H+](C)CCCc2c[nH+]ccc2C)oc1C ZINC000289037649 432915602 /nfs/dbraw/zinc/91/56/02/432915602.db2.gz HOLDFRRYSJABFQ-UHFFFAOYSA-N 2 2 316.401 3.143 20 0 DGADLP c1csc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278929976 432919088 /nfs/dbraw/zinc/91/90/88/432919088.db2.gz SNEHTQGUEHZJOQ-UHFFFAOYSA-N 2 2 302.447 3.056 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000341142429 432973230 /nfs/dbraw/zinc/97/32/30/432973230.db2.gz XLSZWUQZQSXPIZ-IAGOWNOFSA-N 2 2 314.477 3.100 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1F ZINC000349599831 432980589 /nfs/dbraw/zinc/98/05/89/432980589.db2.gz PGBTWXNHRLJBBJ-UHFFFAOYSA-N 2 2 306.356 3.022 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349633529 432983787 /nfs/dbraw/zinc/98/37/87/432983787.db2.gz SNWUDKSFOAFSLP-TXEJJXNPSA-N 2 2 301.887 3.254 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349633529 432983791 /nfs/dbraw/zinc/98/37/91/432983791.db2.gz SNWUDKSFOAFSLP-TXEJJXNPSA-N 2 2 301.887 3.254 20 0 DGADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331947339 432963874 /nfs/dbraw/zinc/96/38/74/432963874.db2.gz QFRFOVGIEGTZOM-LLVKDONJSA-N 2 2 303.410 3.031 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCc4c[nH+]cn4C)C3)nc2c1 ZINC000290159905 433002850 /nfs/dbraw/zinc/00/28/50/433002850.db2.gz XJDYCUKHQWTIIS-HNNXBMFYSA-N 2 2 323.444 3.027 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCc4c[nH+]cn4C)C3)nc2c1 ZINC000290159905 433002854 /nfs/dbraw/zinc/00/28/54/433002854.db2.gz XJDYCUKHQWTIIS-HNNXBMFYSA-N 2 2 323.444 3.027 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@@H+](CCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000290159905 433002858 /nfs/dbraw/zinc/00/28/58/433002858.db2.gz XJDYCUKHQWTIIS-HNNXBMFYSA-N 2 2 323.444 3.027 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@H+](CCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000290159905 433002860 /nfs/dbraw/zinc/00/28/60/433002860.db2.gz XJDYCUKHQWTIIS-HNNXBMFYSA-N 2 2 323.444 3.027 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718634 433009672 /nfs/dbraw/zinc/00/96/72/433009672.db2.gz RQYWHRNDACDCSA-DGCLKSJQSA-N 2 2 324.852 3.159 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718634 433009673 /nfs/dbraw/zinc/00/96/73/433009673.db2.gz RQYWHRNDACDCSA-DGCLKSJQSA-N 2 2 324.852 3.159 20 0 DGADLP CC(C)C(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290277633 433024958 /nfs/dbraw/zinc/02/49/58/433024958.db2.gz LZPAEWZZIOUNSS-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290277633 433024961 /nfs/dbraw/zinc/02/49/61/433024961.db2.gz LZPAEWZZIOUNSS-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290277633 433024966 /nfs/dbraw/zinc/02/49/66/433024966.db2.gz LZPAEWZZIOUNSS-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)C(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290277633 433024971 /nfs/dbraw/zinc/02/49/71/433024971.db2.gz LZPAEWZZIOUNSS-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)[C@@H](C)C2CC2)cc1 ZINC000297880189 433027972 /nfs/dbraw/zinc/02/79/72/433027972.db2.gz QHTAOJYNLKQMTN-HNNXBMFYSA-N 2 2 313.445 3.272 20 0 DGADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)C2CC2)cc1 ZINC000297880189 433027977 /nfs/dbraw/zinc/02/79/77/433027977.db2.gz QHTAOJYNLKQMTN-HNNXBMFYSA-N 2 2 313.445 3.272 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]Cc2ccncc2)c[nH+]1 ZINC000290304269 433029074 /nfs/dbraw/zinc/02/90/74/433029074.db2.gz BODGMCUKBDOAQV-OALUTQOASA-N 2 2 304.397 3.297 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000280300940 433030853 /nfs/dbraw/zinc/03/08/53/433030853.db2.gz VSWZMYMWYALFRE-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000280300940 433030856 /nfs/dbraw/zinc/03/08/56/433030856.db2.gz VSWZMYMWYALFRE-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP CCc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000341371890 433040279 /nfs/dbraw/zinc/04/02/79/433040279.db2.gz MDNPBDYASATDJA-QGZVFWFLSA-N 2 2 310.445 3.596 20 0 DGADLP CCCCCn1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000341369471 433040306 /nfs/dbraw/zinc/04/03/06/433040306.db2.gz ZUZOZMPWBZPEID-UHFFFAOYSA-N 2 2 306.498 3.344 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CCSC1 ZINC000341377122 433041472 /nfs/dbraw/zinc/04/14/72/433041472.db2.gz RJMGULKDIPHIBV-RUXDESIVSA-N 2 2 324.456 3.382 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000290434501 433051948 /nfs/dbraw/zinc/05/19/48/433051948.db2.gz RWCCTEGULOIGDK-KSZLIROESA-N 2 2 300.446 3.260 20 0 DGADLP C[NH+](C)CC1(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC000494936804 289094558 /nfs/dbraw/zinc/09/45/58/289094558.db2.gz CKIGSETYIYFMOS-MRXNPFEDSA-N 2 2 319.497 3.138 20 0 DGADLP COCc1cc(NC2CC[NH+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000290482127 433062017 /nfs/dbraw/zinc/06/20/17/433062017.db2.gz IABHXCMZOZNNNT-UHFFFAOYSA-N 2 2 303.381 3.026 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1)CCC2 ZINC000372950216 433066271 /nfs/dbraw/zinc/06/62/71/433066271.db2.gz PRKNVEVQVXQKGD-CQSZACIVSA-N 2 2 321.371 3.460 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000453298632 433073086 /nfs/dbraw/zinc/07/30/86/433073086.db2.gz WKAPCBKCMGEXTF-LSTHTHJFSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000453298632 433073098 /nfs/dbraw/zinc/07/30/98/433073098.db2.gz WKAPCBKCMGEXTF-LSTHTHJFSA-N 2 2 316.489 3.307 20 0 DGADLP COCc1cc(NCC2=CC[N@H+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000290514373 433076122 /nfs/dbraw/zinc/07/61/22/433076122.db2.gz AYOUNSWZMPNFHX-UHFFFAOYSA-N 2 2 315.392 3.194 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000373115600 433096830 /nfs/dbraw/zinc/09/68/30/433096830.db2.gz MIOWNUWGONCGAQ-MRXNPFEDSA-N 2 2 301.409 3.371 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000373115600 433096839 /nfs/dbraw/zinc/09/68/39/433096839.db2.gz MIOWNUWGONCGAQ-MRXNPFEDSA-N 2 2 301.409 3.371 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[NH+]1CCCCC1 ZINC000446757110 433098620 /nfs/dbraw/zinc/09/86/20/433098620.db2.gz QNVCNRZTEXBQHY-LJQANCHMSA-N 2 2 304.478 3.303 20 0 DGADLP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341504058 433098827 /nfs/dbraw/zinc/09/88/27/433098827.db2.gz QKJUQIHVEMLLGQ-IRXDYDNUSA-N 2 2 301.478 3.462 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC000341540583 433123813 /nfs/dbraw/zinc/12/38/13/433123813.db2.gz CRYRYHMUVMIGEL-HNNXBMFYSA-N 2 2 315.373 3.296 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420230604 433128759 /nfs/dbraw/zinc/12/87/59/433128759.db2.gz QIIAKWBYJQKRRE-MJBXVCDLSA-N 2 2 302.466 3.071 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000446930750 433132045 /nfs/dbraw/zinc/13/20/45/433132045.db2.gz XRJCLLCIJJHBSE-HQRMLTQVSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000446930750 433132056 /nfs/dbraw/zinc/13/20/56/433132056.db2.gz XRJCLLCIJJHBSE-HQRMLTQVSA-N 2 2 316.489 3.443 20 0 DGADLP c1cnc2sc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000341559954 433135160 /nfs/dbraw/zinc/13/51/60/433135160.db2.gz AAIZMDXWQYKVET-AWEZNQCLSA-N 2 2 316.474 3.142 20 0 DGADLP c1cnc2sc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000341559954 433135168 /nfs/dbraw/zinc/13/51/68/433135168.db2.gz AAIZMDXWQYKVET-AWEZNQCLSA-N 2 2 316.474 3.142 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000361383000 433138949 /nfs/dbraw/zinc/13/89/49/433138949.db2.gz YVKQXYKAEPETOV-RDJZCZTQSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000361383000 433138956 /nfs/dbraw/zinc/13/89/56/433138956.db2.gz YVKQXYKAEPETOV-RDJZCZTQSA-N 2 2 315.461 3.218 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CCC2(CC[NH2+]C2)CC1 ZINC000420267291 433141258 /nfs/dbraw/zinc/14/12/58/433141258.db2.gz XWPFGSUKPFEHMR-UHFFFAOYSA-N 2 2 311.429 3.132 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420263426 433141567 /nfs/dbraw/zinc/14/15/67/433141567.db2.gz SOPBOCJNYYDINU-KBPBESRZSA-N 2 2 316.493 3.117 20 0 DGADLP CCC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1nnc2ccccn21 ZINC000354544137 433141802 /nfs/dbraw/zinc/14/18/02/433141802.db2.gz GLZPPZYTUWHHNR-QGZVFWFLSA-N 2 2 323.444 3.496 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000361390431 433145930 /nfs/dbraw/zinc/14/59/30/433145930.db2.gz MCJODTSRZVBRCN-MOPGFXCFSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000361390431 433145937 /nfs/dbraw/zinc/14/59/37/433145937.db2.gz MCJODTSRZVBRCN-MOPGFXCFSA-N 2 2 315.461 3.360 20 0 DGADLP CCc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc(C)[nH+]1 ZINC000425281314 433146186 /nfs/dbraw/zinc/14/61/86/433146186.db2.gz ZQBGCTUKXUEXPX-ZWKOTPCHSA-N 2 2 322.456 3.058 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446755070 433101082 /nfs/dbraw/zinc/10/10/82/433101082.db2.gz RYOPVCHNSALANB-RVKKMQEKSA-N 2 2 308.441 3.366 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446755070 433101093 /nfs/dbraw/zinc/10/10/93/433101093.db2.gz RYOPVCHNSALANB-RVKKMQEKSA-N 2 2 308.441 3.366 20 0 DGADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCC1 ZINC000341509113 433103013 /nfs/dbraw/zinc/10/30/13/433103013.db2.gz GKPVULULCDPOBP-SFHVURJKSA-N 2 2 313.445 3.151 20 0 DGADLP Cc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000341507681 433103465 /nfs/dbraw/zinc/10/34/65/433103465.db2.gz VNYYPKSKIXZMLP-SFHVURJKSA-N 2 2 322.456 3.911 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc2ccccc2[nH]1 ZINC000298369458 433112409 /nfs/dbraw/zinc/11/24/09/433112409.db2.gz KPMOZBDFQHSNOM-GOSISDBHSA-N 2 2 312.461 3.476 20 0 DGADLP CC(C)c1nc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420179161 433118217 /nfs/dbraw/zinc/11/82/17/433118217.db2.gz BPTQQAKMBHHJBE-ZIAGYGMSSA-N 2 2 304.482 3.461 20 0 DGADLP COCC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304178 433155420 /nfs/dbraw/zinc/15/54/20/433155420.db2.gz LEBQUUZBJWTDJG-NWDGAFQWSA-N 2 2 304.356 3.062 20 0 DGADLP COCC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304178 433155425 /nfs/dbraw/zinc/15/54/25/433155425.db2.gz LEBQUUZBJWTDJG-NWDGAFQWSA-N 2 2 304.356 3.062 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc1 ZINC000453408693 433162029 /nfs/dbraw/zinc/16/20/29/433162029.db2.gz FQUZKCGKIUCUQB-XLIONFOSSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc1 ZINC000453408693 433162039 /nfs/dbraw/zinc/16/20/39/433162039.db2.gz FQUZKCGKIUCUQB-XLIONFOSSA-N 2 2 309.457 3.358 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000354582557 433163832 /nfs/dbraw/zinc/16/38/32/433163832.db2.gz HPAFULXFTWHQFM-GJZGRUSLSA-N 2 2 308.466 3.127 20 0 DGADLP Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425331128 433166660 /nfs/dbraw/zinc/16/66/60/433166660.db2.gz WXZQOUJBUOIRLK-KRWDZBQOSA-N 2 2 312.461 3.002 20 0 DGADLP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)O1 ZINC000453411267 433169142 /nfs/dbraw/zinc/16/91/42/433169142.db2.gz QORIIGDCOFUCJJ-KSSFIOAISA-N 2 2 322.880 3.462 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H](c2ccco2)C1 ZINC000425330132 433169371 /nfs/dbraw/zinc/16/93/71/433169371.db2.gz AUNDNCFNBPMNKD-DZGCQCFKSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H](c2ccco2)C1 ZINC000425330132 433169381 /nfs/dbraw/zinc/16/93/81/433169381.db2.gz AUNDNCFNBPMNKD-DZGCQCFKSA-N 2 2 302.422 3.052 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)n1C ZINC000425334702 433171853 /nfs/dbraw/zinc/17/18/53/433171853.db2.gz HAQHMPNEALHOAO-LJQANCHMSA-N 2 2 312.461 3.083 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)n1C ZINC000425334702 433171858 /nfs/dbraw/zinc/17/18/58/433171858.db2.gz HAQHMPNEALHOAO-LJQANCHMSA-N 2 2 312.461 3.083 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1C ZINC000420334732 433172245 /nfs/dbraw/zinc/17/22/45/433172245.db2.gz LCDUTZZTRDSZIK-YVEFUNNKSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1C ZINC000420334732 433172257 /nfs/dbraw/zinc/17/22/57/433172257.db2.gz LCDUTZZTRDSZIK-YVEFUNNKSA-N 2 2 302.462 3.374 20 0 DGADLP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654562 433174268 /nfs/dbraw/zinc/17/42/68/433174268.db2.gz BVZSNDFQXOWZCS-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654562 433174274 /nfs/dbraw/zinc/17/42/74/433174274.db2.gz BVZSNDFQXOWZCS-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000425337835 433175360 /nfs/dbraw/zinc/17/53/60/433175360.db2.gz OJNVXPMYLBUYBP-UHFFFAOYSA-N 2 2 304.482 3.160 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420357339 433176468 /nfs/dbraw/zinc/17/64/68/433176468.db2.gz HJVNCNRQFWKXLY-MRXNPFEDSA-N 2 2 318.852 3.003 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000336703171 433176592 /nfs/dbraw/zinc/17/65/92/433176592.db2.gz GCBUYZFVGJWIHJ-JXFKEZNVSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000336703171 433176607 /nfs/dbraw/zinc/17/66/07/433176607.db2.gz GCBUYZFVGJWIHJ-JXFKEZNVSA-N 2 2 310.441 3.448 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340581 433179112 /nfs/dbraw/zinc/17/91/12/433179112.db2.gz BCAKHMVNDHLLPP-IIDMSEBBSA-N 2 2 312.461 3.253 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340581 433179117 /nfs/dbraw/zinc/17/91/17/433179117.db2.gz BCAKHMVNDHLLPP-IIDMSEBBSA-N 2 2 312.461 3.253 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000420365998 433179702 /nfs/dbraw/zinc/17/97/02/433179702.db2.gz FIQUCDWAHWPKDG-CQSZACIVSA-N 2 2 320.824 3.158 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000453430096 433179916 /nfs/dbraw/zinc/17/99/16/433179916.db2.gz QXYWJSNZFPAKLY-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000453430096 433179927 /nfs/dbraw/zinc/17/99/27/433179927.db2.gz QXYWJSNZFPAKLY-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP Nc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000420364517 433180261 /nfs/dbraw/zinc/18/02/61/433180261.db2.gz CXLUZNUZHNTBPA-MRXNPFEDSA-N 2 2 310.445 3.181 20 0 DGADLP Nc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000420364517 433180278 /nfs/dbraw/zinc/18/02/78/433180278.db2.gz CXLUZNUZHNTBPA-MRXNPFEDSA-N 2 2 310.445 3.181 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)C1CCCCC1 ZINC000420367171 433182378 /nfs/dbraw/zinc/18/23/78/433182378.db2.gz MRUYTKOVCMXYSX-CYBMUJFWSA-N 2 2 302.249 3.386 20 0 DGADLP Nc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000420364513 433182690 /nfs/dbraw/zinc/18/26/90/433182690.db2.gz CXLUZNUZHNTBPA-INIZCTEOSA-N 2 2 310.445 3.181 20 0 DGADLP Nc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000420364513 433182693 /nfs/dbraw/zinc/18/26/93/433182693.db2.gz CXLUZNUZHNTBPA-INIZCTEOSA-N 2 2 310.445 3.181 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420371419 433186638 /nfs/dbraw/zinc/18/66/38/433186638.db2.gz PKOYHZZSBNLYAB-RVKKMQEKSA-N 2 2 317.477 3.033 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717710 433188697 /nfs/dbraw/zinc/18/86/97/433188697.db2.gz QMXPFZYSYRDRID-FGTMMUONSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717710 433188707 /nfs/dbraw/zinc/18/87/07/433188707.db2.gz QMXPFZYSYRDRID-FGTMMUONSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420372636 433188858 /nfs/dbraw/zinc/18/88/58/433188858.db2.gz QHNFBWWKLUBYCH-RULNRJAQSA-N 2 2 315.230 3.064 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640794 433191705 /nfs/dbraw/zinc/19/17/05/433191705.db2.gz XSFQGKXYVIXMGV-OXJNMPFZSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640794 433191720 /nfs/dbraw/zinc/19/17/20/433191720.db2.gz XSFQGKXYVIXMGV-OXJNMPFZSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000420381712 433193919 /nfs/dbraw/zinc/19/39/19/433193919.db2.gz ZGOLZNQIROSXRI-GPCCPHFNSA-N 2 2 315.230 3.064 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420405468 433195760 /nfs/dbraw/zinc/19/57/60/433195760.db2.gz MYALIVLQAFNYEA-UPJWGTAASA-N 2 2 322.403 3.409 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420405468 433195767 /nfs/dbraw/zinc/19/57/67/433195767.db2.gz MYALIVLQAFNYEA-UPJWGTAASA-N 2 2 322.403 3.409 20 0 DGADLP [NH3+]Cc1nc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)no1 ZINC000420402598 433196077 /nfs/dbraw/zinc/19/60/77/433196077.db2.gz KBEZMZHKIQTFAG-INIZCTEOSA-N 2 2 320.824 3.203 20 0 DGADLP [NH3+]Cc1nc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)no1 ZINC000420402600 433196167 /nfs/dbraw/zinc/19/61/67/433196167.db2.gz KBEZMZHKIQTFAG-MRXNPFEDSA-N 2 2 320.824 3.203 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420407849 433201238 /nfs/dbraw/zinc/20/12/38/433201238.db2.gz VOECQKQTXKCOND-ZBFHGGJFSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420407849 433201247 /nfs/dbraw/zinc/20/12/47/433201247.db2.gz VOECQKQTXKCOND-ZBFHGGJFSA-N 2 2 307.507 3.450 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C[NH3+] ZINC000420422777 433202570 /nfs/dbraw/zinc/20/25/70/433202570.db2.gz ZPKMTGGEHKODTJ-CHWSQXEVSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C[NH3+] ZINC000420422777 433202575 /nfs/dbraw/zinc/20/25/75/433202575.db2.gz ZPKMTGGEHKODTJ-CHWSQXEVSA-N 2 2 319.449 3.366 20 0 DGADLP Cc1ccc2c(c1)nc(C[NH2+]CCCc1ccc(C)[nH+]c1)n2C ZINC000354670174 433213929 /nfs/dbraw/zinc/21/39/29/433213929.db2.gz VFGAGEBEWGQELD-UHFFFAOYSA-N 2 2 308.429 3.308 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)c2ccccc21 ZINC000447543994 433220487 /nfs/dbraw/zinc/22/04/87/433220487.db2.gz SNOPNIWHSDPJPA-AHRSYUTCSA-N 2 2 316.489 3.429 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000447568941 433232464 /nfs/dbraw/zinc/23/24/64/433232464.db2.gz AEPCFZTYOAWVAH-BRWVUGGUSA-N 2 2 306.494 3.046 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000447568941 433232466 /nfs/dbraw/zinc/23/24/66/433232466.db2.gz AEPCFZTYOAWVAH-BRWVUGGUSA-N 2 2 306.494 3.046 20 0 DGADLP C[C@@H]1CCCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337526582 433240033 /nfs/dbraw/zinc/24/00/33/433240033.db2.gz RRVREWGGWSNMLY-ZIAGYGMSSA-N 2 2 322.416 3.449 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000291513173 433255747 /nfs/dbraw/zinc/25/57/47/433255747.db2.gz IMXDQVWAPJAARD-UXHICEINSA-N 2 2 310.441 3.078 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718317 433263027 /nfs/dbraw/zinc/26/30/27/433263027.db2.gz LWHWKALOHJFOPG-YJBOKZPZSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718317 433263038 /nfs/dbraw/zinc/26/30/38/433263038.db2.gz LWHWKALOHJFOPG-YJBOKZPZSA-N 2 2 324.472 3.110 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C[NH+]1CCOCC1 ZINC000484149380 289690191 /nfs/dbraw/zinc/69/01/91/289690191.db2.gz WZWQDLQKFVOQLI-SJORKVTESA-N 2 2 316.489 3.184 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000281582220 433315602 /nfs/dbraw/zinc/31/56/02/433315602.db2.gz LCRIVQLHDCMMKZ-MJQMVNBJSA-N 2 2 313.489 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000281582220 433315608 /nfs/dbraw/zinc/31/56/08/433315608.db2.gz LCRIVQLHDCMMKZ-MJQMVNBJSA-N 2 2 313.489 3.489 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000420921906 433320358 /nfs/dbraw/zinc/32/03/58/433320358.db2.gz MVDVJSQBRJKVEQ-DZGCQCFKSA-N 2 2 312.889 3.064 20 0 DGADLP CC1(C)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341867699 433326314 /nfs/dbraw/zinc/32/63/14/433326314.db2.gz CSWLZDXSYHOOBZ-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341867699 433326322 /nfs/dbraw/zinc/32/63/22/433326322.db2.gz CSWLZDXSYHOOBZ-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000420921907 433321527 /nfs/dbraw/zinc/32/15/27/433321527.db2.gz MVDVJSQBRJKVEQ-HIFRSBDPSA-N 2 2 312.889 3.064 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](CCSc1ccccc1F)CC2 ZINC000374980354 433324621 /nfs/dbraw/zinc/32/46/21/433324621.db2.gz OPDKFDKRLZFAPB-UHFFFAOYSA-N 2 2 308.466 3.478 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](CCSc1ccccc1F)CC2 ZINC000374980354 433324631 /nfs/dbraw/zinc/32/46/31/433324631.db2.gz OPDKFDKRLZFAPB-UHFFFAOYSA-N 2 2 308.466 3.478 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350748553 433273371 /nfs/dbraw/zinc/27/33/71/433273371.db2.gz QLNDMRIXANWXHR-CVEARBPZSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350748553 433273380 /nfs/dbraw/zinc/27/33/80/433273380.db2.gz QLNDMRIXANWXHR-CVEARBPZSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000350748553 433273386 /nfs/dbraw/zinc/27/33/86/433273386.db2.gz QLNDMRIXANWXHR-CVEARBPZSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000350748553 433273392 /nfs/dbraw/zinc/27/33/92/433273392.db2.gz QLNDMRIXANWXHR-CVEARBPZSA-N 2 2 305.466 3.323 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC000420915954 433313419 /nfs/dbraw/zinc/31/34/19/433313419.db2.gz NIGIWOMIKXMWBK-IAGOWNOFSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC000420915954 433313425 /nfs/dbraw/zinc/31/34/25/433313425.db2.gz NIGIWOMIKXMWBK-IAGOWNOFSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895909 433346334 /nfs/dbraw/zinc/34/63/34/433346334.db2.gz MXEVKRUTKYKZLV-RTBURBONSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895909 433346346 /nfs/dbraw/zinc/34/63/46/433346346.db2.gz MXEVKRUTKYKZLV-RTBURBONSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341895909 433346357 /nfs/dbraw/zinc/34/63/57/433346357.db2.gz MXEVKRUTKYKZLV-RTBURBONSA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341895909 433346362 /nfs/dbraw/zinc/34/63/62/433346362.db2.gz MXEVKRUTKYKZLV-RTBURBONSA-N 2 2 302.462 3.152 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000448026671 433349736 /nfs/dbraw/zinc/34/97/36/433349736.db2.gz JGYNNTFWXDXDLC-IRXDYDNUSA-N 2 2 318.509 3.158 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000448026671 433349743 /nfs/dbraw/zinc/34/97/43/433349743.db2.gz JGYNNTFWXDXDLC-IRXDYDNUSA-N 2 2 318.509 3.158 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC000448028434 433350218 /nfs/dbraw/zinc/35/02/18/433350218.db2.gz OOJOFDCFDVILST-YYIAUSFCSA-N 2 2 324.509 3.064 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC000448028434 433350231 /nfs/dbraw/zinc/35/02/31/433350231.db2.gz OOJOFDCFDVILST-YYIAUSFCSA-N 2 2 324.509 3.064 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915632 433357432 /nfs/dbraw/zinc/35/74/32/433357432.db2.gz WSKDSCSGDXYQOJ-QWFCFKBJSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915632 433357441 /nfs/dbraw/zinc/35/74/41/433357441.db2.gz WSKDSCSGDXYQOJ-QWFCFKBJSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915632 433357451 /nfs/dbraw/zinc/35/74/51/433357451.db2.gz WSKDSCSGDXYQOJ-QWFCFKBJSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915632 433357459 /nfs/dbraw/zinc/35/74/59/433357459.db2.gz WSKDSCSGDXYQOJ-QWFCFKBJSA-N 2 2 316.489 3.255 20 0 DGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC(C)(C)C1 ZINC000420973981 433363186 /nfs/dbraw/zinc/36/31/86/433363186.db2.gz NWLWBJKJGRWWEI-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC(C)(C)C1 ZINC000420973981 433363194 /nfs/dbraw/zinc/36/31/94/433363194.db2.gz NWLWBJKJGRWWEI-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414057852 433364280 /nfs/dbraw/zinc/36/42/80/433364280.db2.gz GJYYADRGOMSRTE-BBWFWOEESA-N 2 2 320.477 3.154 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414057852 433364289 /nfs/dbraw/zinc/36/42/89/433364289.db2.gz GJYYADRGOMSRTE-BBWFWOEESA-N 2 2 320.477 3.154 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068780 433370998 /nfs/dbraw/zinc/37/09/98/433370998.db2.gz ISJVSCSGWZWKSL-CABCVRRESA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068780 433371012 /nfs/dbraw/zinc/37/10/12/433371012.db2.gz ISJVSCSGWZWKSL-CABCVRRESA-N 2 2 318.490 3.044 20 0 DGADLP Cc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425917847 433372180 /nfs/dbraw/zinc/37/21/80/433372180.db2.gz DEYJAHDHPYWZFB-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425917847 433372193 /nfs/dbraw/zinc/37/21/93/433372193.db2.gz DEYJAHDHPYWZFB-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425917847 433372206 /nfs/dbraw/zinc/37/22/06/433372206.db2.gz DEYJAHDHPYWZFB-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425917847 433372215 /nfs/dbraw/zinc/37/22/15/433372215.db2.gz DEYJAHDHPYWZFB-NRFANRHFSA-N 2 2 324.468 3.064 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C2 ZINC000425923650 433372584 /nfs/dbraw/zinc/37/25/84/433372584.db2.gz SPZIUQKINLXEOA-QUCCMNQESA-N 2 2 324.468 3.445 20 0 DGADLP C[N@H+](CC1CCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341876869 433330160 /nfs/dbraw/zinc/33/01/60/433330160.db2.gz POBDSBYNFGCFGS-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[N@@H+](CC1CCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341876869 433330173 /nfs/dbraw/zinc/33/01/73/433330173.db2.gz POBDSBYNFGCFGS-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CC1CCC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341876869 433330185 /nfs/dbraw/zinc/33/01/85/433330185.db2.gz POBDSBYNFGCFGS-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CC1CCC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341876869 433330196 /nfs/dbraw/zinc/33/01/96/433330196.db2.gz POBDSBYNFGCFGS-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H](C1CCC1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420933834 433331814 /nfs/dbraw/zinc/33/18/14/433331814.db2.gz INUBVYIUMRDOCX-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H](C1CCC1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420933834 433331824 /nfs/dbraw/zinc/33/18/24/433331824.db2.gz INUBVYIUMRDOCX-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069881 433339871 /nfs/dbraw/zinc/33/98/71/433339871.db2.gz YGAZKHASCADOIB-BHIYHBOVSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069881 433339880 /nfs/dbraw/zinc/33/98/80/433339880.db2.gz YGAZKHASCADOIB-BHIYHBOVSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154731 433427988 /nfs/dbraw/zinc/42/79/88/433427988.db2.gz WNWFUHKCVFWLFZ-DOTOQJQBSA-N 2 2 320.477 3.186 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154731 433427993 /nfs/dbraw/zinc/42/79/93/433427993.db2.gz WNWFUHKCVFWLFZ-DOTOQJQBSA-N 2 2 320.477 3.186 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292009236 433428190 /nfs/dbraw/zinc/42/81/90/433428190.db2.gz BKAHBAQHQQCLMU-MRXNPFEDSA-N 2 2 316.453 3.001 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000425942330 433380950 /nfs/dbraw/zinc/38/09/50/433380950.db2.gz FHHSUORHHUMNBS-WDEREUQCSA-N 2 2 304.356 3.275 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135168 433381506 /nfs/dbraw/zinc/38/15/06/433381506.db2.gz IIFLCNUJIMIMAI-DZGCQCFKSA-N 2 2 307.401 3.205 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135168 433381518 /nfs/dbraw/zinc/38/15/18/433381518.db2.gz IIFLCNUJIMIMAI-DZGCQCFKSA-N 2 2 307.401 3.205 20 0 DGADLP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000354967609 433383468 /nfs/dbraw/zinc/38/34/68/433383468.db2.gz DXVUPAUWFKAXSO-AWEZNQCLSA-N 2 2 315.383 3.367 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc2n(n1)CCC2 ZINC000414103415 433395034 /nfs/dbraw/zinc/39/50/34/433395034.db2.gz DPQOTDOXYDPCEQ-HRCADAONSA-N 2 2 316.493 3.133 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cc2n(n1)CCC2 ZINC000414103415 433395045 /nfs/dbraw/zinc/39/50/45/433395045.db2.gz DPQOTDOXYDPCEQ-HRCADAONSA-N 2 2 316.493 3.133 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000361800864 433396377 /nfs/dbraw/zinc/39/63/77/433396377.db2.gz UTNHXWZOOKMRGV-GOSISDBHSA-N 2 2 312.461 3.011 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000361800864 433396387 /nfs/dbraw/zinc/39/63/87/433396387.db2.gz UTNHXWZOOKMRGV-GOSISDBHSA-N 2 2 312.461 3.011 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)o1 ZINC000342087816 433461808 /nfs/dbraw/zinc/46/18/08/433461808.db2.gz PXGMRBPMWHZIAB-NWANDNLSSA-N 2 2 317.458 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)o1 ZINC000342087816 433461812 /nfs/dbraw/zinc/46/18/12/433461812.db2.gz PXGMRBPMWHZIAB-NWANDNLSSA-N 2 2 317.458 3.271 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000361893649 433443038 /nfs/dbraw/zinc/44/30/38/433443038.db2.gz YEMJCBOEVXMVNN-PKOBYXMFSA-N 2 2 304.478 3.332 20 0 DGADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000361921858 433452855 /nfs/dbraw/zinc/45/28/55/433452855.db2.gz DYGVESGQGIROQB-AEFFLSMTSA-N 2 2 301.478 3.462 20 0 DGADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000361921858 433452860 /nfs/dbraw/zinc/45/28/60/433452860.db2.gz DYGVESGQGIROQB-AEFFLSMTSA-N 2 2 301.478 3.462 20 0 DGADLP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000292233716 433514767 /nfs/dbraw/zinc/51/47/67/433514767.db2.gz IYOVYAHNENTVSQ-KRWDZBQOSA-N 2 2 301.821 3.420 20 0 DGADLP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000292233716 433514773 /nfs/dbraw/zinc/51/47/73/433514773.db2.gz IYOVYAHNENTVSQ-KRWDZBQOSA-N 2 2 301.821 3.420 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@H]12 ZINC000351487900 433526910 /nfs/dbraw/zinc/52/69/10/433526910.db2.gz DGWIVRJLLQAPDV-CWRNSKLLSA-N 2 2 305.491 3.360 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](C)[NH+](C)C ZINC000342191294 433529958 /nfs/dbraw/zinc/52/99/58/433529958.db2.gz KVBFOLHWUWVHIM-QWRGUYRKSA-N 2 2 317.246 3.059 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H](O)C(C)C ZINC000414304494 433530693 /nfs/dbraw/zinc/53/06/93/433530693.db2.gz WGMCUAYSNSDVET-WZGPROSRSA-N 2 2 304.478 3.035 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H](O)C(C)C ZINC000414304494 433530701 /nfs/dbraw/zinc/53/07/01/433530701.db2.gz WGMCUAYSNSDVET-WZGPROSRSA-N 2 2 304.478 3.035 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000375705844 433536596 /nfs/dbraw/zinc/53/65/96/433536596.db2.gz QNMWVOXRVHGCJS-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000375705844 433536603 /nfs/dbraw/zinc/53/66/03/433536603.db2.gz QNMWVOXRVHGCJS-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128345 433488301 /nfs/dbraw/zinc/48/83/01/433488301.db2.gz MUFOBRLKAFYOFM-ICSRJNTNSA-N 2 2 314.473 3.441 20 0 DGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128345 433488309 /nfs/dbraw/zinc/48/83/09/433488309.db2.gz MUFOBRLKAFYOFM-ICSRJNTNSA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128345 433488319 /nfs/dbraw/zinc/48/83/19/433488319.db2.gz MUFOBRLKAFYOFM-ICSRJNTNSA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128345 433488326 /nfs/dbraw/zinc/48/83/26/433488326.db2.gz MUFOBRLKAFYOFM-ICSRJNTNSA-N 2 2 314.473 3.441 20 0 DGADLP CCCc1csc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000426411902 433491375 /nfs/dbraw/zinc/49/13/75/433491375.db2.gz OBHKJTZEQSIOCJ-UHFFFAOYSA-N 2 2 318.490 3.284 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000414270872 433502644 /nfs/dbraw/zinc/50/26/44/433502644.db2.gz WQEKMHQTZABNSY-WFASDCNBSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000414270872 433502650 /nfs/dbraw/zinc/50/26/50/433502650.db2.gz WQEKMHQTZABNSY-WFASDCNBSA-N 2 2 311.267 3.187 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339293148 433506264 /nfs/dbraw/zinc/50/62/64/433506264.db2.gz IRASFVXUFJAWJB-QZTJIDSGSA-N 2 2 313.445 3.228 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414281611 433508602 /nfs/dbraw/zinc/50/86/02/433508602.db2.gz MSUJNDPPJNTKFU-UKBAYJJMSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414281611 433508608 /nfs/dbraw/zinc/50/86/08/433508608.db2.gz MSUJNDPPJNTKFU-UKBAYJJMSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522741 433552264 /nfs/dbraw/zinc/55/22/64/433552264.db2.gz ZKZWLEQNQBMZOL-MAUKXSAKSA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522741 433552273 /nfs/dbraw/zinc/55/22/73/433552273.db2.gz ZKZWLEQNQBMZOL-MAUKXSAKSA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@H](c1ccccc1Cl)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351522741 433552303 /nfs/dbraw/zinc/55/23/03/433552303.db2.gz ZKZWLEQNQBMZOL-MAUKXSAKSA-N 2 2 324.896 3.424 20 0 DGADLP Cc1oncc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375766119 433557386 /nfs/dbraw/zinc/55/73/86/433557386.db2.gz ZOVOAWSVXDKEAP-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1oncc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375766119 433557393 /nfs/dbraw/zinc/55/73/93/433557393.db2.gz ZOVOAWSVXDKEAP-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1oncc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375766119 433557401 /nfs/dbraw/zinc/55/74/01/433557401.db2.gz ZOVOAWSVXDKEAP-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Cc1oncc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375766119 433557407 /nfs/dbraw/zinc/55/74/07/433557407.db2.gz ZOVOAWSVXDKEAP-IBGZPJMESA-N 2 2 311.429 3.081 20 0 DGADLP Oc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1Cl ZINC000339401845 433557493 /nfs/dbraw/zinc/55/74/93/433557493.db2.gz YERHWIFAXQNDJH-UHFFFAOYSA-N 2 2 314.776 3.298 20 0 DGADLP CSc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351551245 433568718 /nfs/dbraw/zinc/56/87/18/433568718.db2.gz SZPHPPGXQVMKBD-UHFFFAOYSA-N 2 2 310.426 3.660 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565341 433578796 /nfs/dbraw/zinc/57/87/96/433578796.db2.gz WJSZZRZSYJIYSS-IEBWSBKVSA-N 2 2 302.462 3.107 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565341 433578806 /nfs/dbraw/zinc/57/88/06/433578806.db2.gz WJSZZRZSYJIYSS-IEBWSBKVSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565341 433578818 /nfs/dbraw/zinc/57/88/18/433578818.db2.gz WJSZZRZSYJIYSS-IEBWSBKVSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565341 433578830 /nfs/dbraw/zinc/57/88/30/433578830.db2.gz WJSZZRZSYJIYSS-IEBWSBKVSA-N 2 2 302.462 3.107 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2CCCC23CCOCC3)[nH+]c1 ZINC000282365101 433580230 /nfs/dbraw/zinc/58/02/30/433580230.db2.gz WIBDWCYRPHCHRX-INIZCTEOSA-N 2 2 303.450 3.213 20 0 DGADLP Fc1cccc(F)c1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351567263 433581611 /nfs/dbraw/zinc/58/16/11/433581611.db2.gz HFZOEMROYYFQJI-UHFFFAOYSA-N 2 2 300.312 3.217 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3Br)C2)C1 ZINC000339430785 433582415 /nfs/dbraw/zinc/58/24/15/433582415.db2.gz NIBWLLPBXTYZLP-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3Br)C2)C1 ZINC000339430785 433582425 /nfs/dbraw/zinc/58/24/25/433582425.db2.gz NIBWLLPBXTYZLP-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3Br)C2)C1 ZINC000339430785 433582431 /nfs/dbraw/zinc/58/24/31/433582431.db2.gz NIBWLLPBXTYZLP-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3Br)C2)C1 ZINC000339430785 433582441 /nfs/dbraw/zinc/58/24/41/433582441.db2.gz NIBWLLPBXTYZLP-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000414377083 433582533 /nfs/dbraw/zinc/58/25/33/433582533.db2.gz DVUIDCBUZNDUCO-IAGOWNOFSA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000414377083 433582543 /nfs/dbraw/zinc/58/25/43/433582543.db2.gz DVUIDCBUZNDUCO-IAGOWNOFSA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000414377083 433582553 /nfs/dbraw/zinc/58/25/53/433582553.db2.gz DVUIDCBUZNDUCO-IAGOWNOFSA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000414377083 433582562 /nfs/dbraw/zinc/58/25/62/433582562.db2.gz DVUIDCBUZNDUCO-IAGOWNOFSA-N 2 2 316.493 3.125 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432975 433582798 /nfs/dbraw/zinc/58/27/98/433582798.db2.gz IDSWWCLJFBTBIB-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432975 433582806 /nfs/dbraw/zinc/58/28/06/433582806.db2.gz IDSWWCLJFBTBIB-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432975 433582816 /nfs/dbraw/zinc/58/28/16/433582816.db2.gz IDSWWCLJFBTBIB-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OC(F)F)C2)C1 ZINC000339432975 433582830 /nfs/dbraw/zinc/58/28/30/433582830.db2.gz IDSWWCLJFBTBIB-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437531 433588364 /nfs/dbraw/zinc/58/83/64/433588364.db2.gz LTVICDBQHWJFAZ-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437531 433588380 /nfs/dbraw/zinc/58/83/80/433588380.db2.gz LTVICDBQHWJFAZ-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437531 433588383 /nfs/dbraw/zinc/58/83/83/433588383.db2.gz LTVICDBQHWJFAZ-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437531 433588394 /nfs/dbraw/zinc/58/83/94/433588394.db2.gz LTVICDBQHWJFAZ-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000339448394 433591731 /nfs/dbraw/zinc/59/17/31/433591731.db2.gz PRXIYKALDLMLIV-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000339448394 433591743 /nfs/dbraw/zinc/59/17/43/433591743.db2.gz PRXIYKALDLMLIV-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C)C[NH+](C)C ZINC000342217292 433543722 /nfs/dbraw/zinc/54/37/22/433543722.db2.gz QQRVGGCUQWCKCD-GHMZBOCLSA-N 2 2 317.246 3.059 20 0 DGADLP Fc1cc(F)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000339516278 433633132 /nfs/dbraw/zinc/63/31/32/433633132.db2.gz SOGCJBGASAJWNP-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP CC(C)CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000362310695 433634356 /nfs/dbraw/zinc/63/43/56/433634356.db2.gz VCJSSJPZADWORK-AEFFLSMTSA-N 2 2 321.534 3.271 20 0 DGADLP CC(C)CSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000362310695 433634369 /nfs/dbraw/zinc/63/43/69/433634369.db2.gz VCJSSJPZADWORK-AEFFLSMTSA-N 2 2 321.534 3.271 20 0 DGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2cccs2)cc[nH+]1 ZINC000162255060 292850072 /nfs/dbraw/zinc/85/00/72/292850072.db2.gz AZFKBBALNQQLOI-UHFFFAOYSA-N 2 2 304.463 3.230 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453225 433594866 /nfs/dbraw/zinc/59/48/66/433594866.db2.gz FPHROEKKDOFAKU-MPGHIAIKSA-N 2 2 311.429 3.101 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453225 433594874 /nfs/dbraw/zinc/59/48/74/433594874.db2.gz FPHROEKKDOFAKU-MPGHIAIKSA-N 2 2 311.429 3.101 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+]CC2=CCCOC2)[NH+](C)C)cc1 ZINC000342298049 433596539 /nfs/dbraw/zinc/59/65/39/433596539.db2.gz LITHXICCTPWMKZ-FQEVSTJZSA-N 2 2 316.489 3.424 20 0 DGADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301528055 433597028 /nfs/dbraw/zinc/59/70/28/433597028.db2.gz GRIYRYXWUCTKPE-CYBMUJFWSA-N 2 2 301.356 3.411 20 0 DGADLP CN(CC[C@H]1CCCC[N@H+]1C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301528055 433597037 /nfs/dbraw/zinc/59/70/37/433597037.db2.gz GRIYRYXWUCTKPE-CYBMUJFWSA-N 2 2 301.356 3.411 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453228 433597792 /nfs/dbraw/zinc/59/77/92/433597792.db2.gz FPHROEKKDOFAKU-RLFYNMQTSA-N 2 2 311.429 3.101 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453228 433597801 /nfs/dbraw/zinc/59/78/01/433597801.db2.gz FPHROEKKDOFAKU-RLFYNMQTSA-N 2 2 311.429 3.101 20 0 DGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591347 433600800 /nfs/dbraw/zinc/60/08/00/433600800.db2.gz DDHBUOJWWAYZHV-VQIMIIECSA-N 2 2 320.452 3.102 20 0 DGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591347 433600804 /nfs/dbraw/zinc/60/08/04/433600804.db2.gz DDHBUOJWWAYZHV-VQIMIIECSA-N 2 2 320.452 3.102 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ncc[nH]1 ZINC000375896588 433603601 /nfs/dbraw/zinc/60/36/01/433603601.db2.gz YGPGSEQGTQEHHC-DSLXNQLJSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ncc[nH]1 ZINC000375896588 433603612 /nfs/dbraw/zinc/60/36/12/433603612.db2.gz YGPGSEQGTQEHHC-DSLXNQLJSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000342317360 433611678 /nfs/dbraw/zinc/61/16/78/433611678.db2.gz XQSKURZTLRLQSC-REAYAIGQSA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000342317360 433611685 /nfs/dbraw/zinc/61/16/85/433611685.db2.gz XQSKURZTLRLQSC-REAYAIGQSA-N 2 2 307.441 3.347 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282492191 433612782 /nfs/dbraw/zinc/61/27/82/433612782.db2.gz HTQZINYJEQEPFJ-OALUTQOASA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282492191 433612790 /nfs/dbraw/zinc/61/27/90/433612790.db2.gz HTQZINYJEQEPFJ-OALUTQOASA-N 2 2 314.473 3.200 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351624693 433619716 /nfs/dbraw/zinc/61/97/16/433619716.db2.gz ZMQFHOSQZJWCDH-MAUKXSAKSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351624693 433619729 /nfs/dbraw/zinc/61/97/29/433619729.db2.gz ZMQFHOSQZJWCDH-MAUKXSAKSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000414452216 433625082 /nfs/dbraw/zinc/62/50/82/433625082.db2.gz KLZWRUJHIMFYHO-LJQANCHMSA-N 2 2 324.472 3.177 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000414452216 433625093 /nfs/dbraw/zinc/62/50/93/433625093.db2.gz KLZWRUJHIMFYHO-LJQANCHMSA-N 2 2 324.472 3.177 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366208445 292924021 /nfs/dbraw/zinc/92/40/21/292924021.db2.gz HQYNHLMUXRUNIQ-QAPCUYQASA-N 2 2 311.429 3.355 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1sc(C)nc1C)CCC2 ZINC000366208478 292924062 /nfs/dbraw/zinc/92/40/62/292924062.db2.gz IARZGHCFZHJGSN-SMDDNHRTSA-N 2 2 304.463 3.493 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000282731922 433627097 /nfs/dbraw/zinc/62/70/97/433627097.db2.gz MPVFEUMXMPQLIA-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000282731922 433627106 /nfs/dbraw/zinc/62/71/06/433627106.db2.gz MPVFEUMXMPQLIA-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1ccc(CCCN(CC[NH3+])c2ccc3ccccc3n2)c[nH+]1 ZINC000414487703 433653932 /nfs/dbraw/zinc/65/39/32/433653932.db2.gz KWJKXOOKYGTAPT-UHFFFAOYSA-N 2 2 320.440 3.336 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427107273 433654684 /nfs/dbraw/zinc/65/46/84/433654684.db2.gz JOAXHJITTFVRRT-QMTHXVAHSA-N 2 2 315.244 3.186 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427107273 433654693 /nfs/dbraw/zinc/65/46/93/433654693.db2.gz JOAXHJITTFVRRT-QMTHXVAHSA-N 2 2 315.244 3.186 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000301658998 433660532 /nfs/dbraw/zinc/66/05/32/433660532.db2.gz SWQBFXXFRAZVGJ-QGZVFWFLSA-N 2 2 310.445 3.013 20 0 DGADLP CC[C@H](Nc1cccc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301672264 433668190 /nfs/dbraw/zinc/66/81/90/433668190.db2.gz QWONCXNCGABEAH-ROUUACIJSA-N 2 2 311.429 3.173 20 0 DGADLP CC[C@H](Nc1cccc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301672264 433668196 /nfs/dbraw/zinc/66/81/96/433668196.db2.gz QWONCXNCGABEAH-ROUUACIJSA-N 2 2 311.429 3.173 20 0 DGADLP Cc1cc(N(C)CC2CC[NH+](C)CC2)c2cccc(F)c2[nH+]1 ZINC000301677811 433670332 /nfs/dbraw/zinc/67/03/32/433670332.db2.gz QRXADYOANRDXOO-UHFFFAOYSA-N 2 2 301.409 3.460 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000342413005 433674334 /nfs/dbraw/zinc/67/43/34/433674334.db2.gz FAJIBKIUEUZSPE-NZSAHSFTSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000342413005 433674342 /nfs/dbraw/zinc/67/43/42/433674342.db2.gz FAJIBKIUEUZSPE-NZSAHSFTSA-N 2 2 322.452 3.415 20 0 DGADLP Cc1nc(NCC2([NH+]3CCSCC3)CCCC2)c(C)c(C)[nH+]1 ZINC000301700897 433680922 /nfs/dbraw/zinc/68/09/22/433680922.db2.gz SJWHMXTXLKYWQO-UHFFFAOYSA-N 2 2 320.506 3.175 20 0 DGADLP Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301694530 433681313 /nfs/dbraw/zinc/68/13/13/433681313.db2.gz ZYSITTJGJPJLJP-HOTGVXAUSA-N 2 2 320.481 3.210 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnn1C1CCCC1 ZINC000449026834 433681807 /nfs/dbraw/zinc/68/18/07/433681807.db2.gz GVMTWNKVPGNYFA-MRXNPFEDSA-N 2 2 304.482 3.304 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnn1C1CCCC1 ZINC000449026834 433681817 /nfs/dbraw/zinc/68/18/17/433681817.db2.gz GVMTWNKVPGNYFA-MRXNPFEDSA-N 2 2 304.482 3.304 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccnn1C1CCCC1 ZINC000449026834 433681823 /nfs/dbraw/zinc/68/18/23/433681823.db2.gz GVMTWNKVPGNYFA-MRXNPFEDSA-N 2 2 304.482 3.304 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccnn1C1CCCC1 ZINC000449026834 433681835 /nfs/dbraw/zinc/68/18/35/433681835.db2.gz GVMTWNKVPGNYFA-MRXNPFEDSA-N 2 2 304.482 3.304 20 0 DGADLP Cc1nc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(C)c(C)[nH+]1 ZINC000301703341 433686930 /nfs/dbraw/zinc/68/69/30/433686930.db2.gz UOFKMBJVPCXPRA-ZDUSSCGKSA-N 2 2 310.445 3.261 20 0 DGADLP Cc1nc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)c(C)c(C)[nH+]1 ZINC000301703341 433686941 /nfs/dbraw/zinc/68/69/41/433686941.db2.gz UOFKMBJVPCXPRA-ZDUSSCGKSA-N 2 2 310.445 3.261 20 0 DGADLP COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000414484316 433650608 /nfs/dbraw/zinc/65/06/08/433650608.db2.gz PXJBBHRMJKZOLM-JENIJYKNSA-N 2 2 304.478 3.159 20 0 DGADLP COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000414484316 433650619 /nfs/dbraw/zinc/65/06/19/433650619.db2.gz PXJBBHRMJKZOLM-JENIJYKNSA-N 2 2 304.478 3.159 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1SC ZINC000366922431 293005100 /nfs/dbraw/zinc/00/51/00/293005100.db2.gz MWOWKOCBRAATDK-CQSZACIVSA-N 2 2 317.458 3.140 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1SC ZINC000366922431 293005102 /nfs/dbraw/zinc/00/51/02/293005102.db2.gz MWOWKOCBRAATDK-CQSZACIVSA-N 2 2 317.458 3.140 20 0 DGADLP COc1ncc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000367440075 293073045 /nfs/dbraw/zinc/07/30/45/293073045.db2.gz ZJINNEDQEBIOGO-NSHDSACASA-N 2 2 320.824 3.127 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498798 293128498 /nfs/dbraw/zinc/12/84/98/293128498.db2.gz KPQPCKSKAJXZDI-VQTJNVASSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498798 293128499 /nfs/dbraw/zinc/12/84/99/293128499.db2.gz KPQPCKSKAJXZDI-VQTJNVASSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498798 293128500 /nfs/dbraw/zinc/12/85/00/293128500.db2.gz KPQPCKSKAJXZDI-VQTJNVASSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498798 293128501 /nfs/dbraw/zinc/12/85/01/293128501.db2.gz KPQPCKSKAJXZDI-VQTJNVASSA-N 2 2 314.473 3.152 20 0 DGADLP COC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CCCC1 ZINC000446838247 293153132 /nfs/dbraw/zinc/15/31/32/293153132.db2.gz GIKZARQYXNDOLV-RBUKOAKNSA-N 2 2 304.478 3.393 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000370208222 293163735 /nfs/dbraw/zinc/16/37/35/293163735.db2.gz QERHTQKJLPRGJB-LJQANCHMSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000372055350 293226655 /nfs/dbraw/zinc/22/66/55/293226655.db2.gz BJFUSRCSHRNOJY-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000372055350 293226658 /nfs/dbraw/zinc/22/66/58/293226658.db2.gz BJFUSRCSHRNOJY-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c2cc(F)ccc2[nH+]1 ZINC000372305342 293232282 /nfs/dbraw/zinc/23/22/82/293232282.db2.gz PDBAVKTUBJNVKN-CYBMUJFWSA-N 2 2 310.376 3.410 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000373351405 293264523 /nfs/dbraw/zinc/26/45/23/293264523.db2.gz BHZUICMSDURFNF-BEFAXECRSA-N 2 2 322.412 3.133 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cn2)c[nH+]1 ZINC000373825438 293320568 /nfs/dbraw/zinc/32/05/68/293320568.db2.gz QNZKLWJURNQUDH-LJQANCHMSA-N 2 2 319.412 3.293 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000374071868 293349915 /nfs/dbraw/zinc/34/99/15/293349915.db2.gz KOUJMAJLRQDJBQ-GOSISDBHSA-N 2 2 319.493 3.272 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000374071868 293349916 /nfs/dbraw/zinc/34/99/16/293349916.db2.gz KOUJMAJLRQDJBQ-GOSISDBHSA-N 2 2 319.493 3.272 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449060938 433714147 /nfs/dbraw/zinc/71/41/47/433714147.db2.gz GXXKRZUEDBZHFH-LBPRGKRZSA-N 2 2 300.368 3.269 20 0 DGADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000356831863 433719630 /nfs/dbraw/zinc/71/96/30/433719630.db2.gz BFBNIHILLSVCCG-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000283452964 433729478 /nfs/dbraw/zinc/72/94/78/433729478.db2.gz LAFRRWHMWYRSEQ-XVJNWHFHSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)C1 ZINC000283452964 433729488 /nfs/dbraw/zinc/72/94/88/433729488.db2.gz LAFRRWHMWYRSEQ-XVJNWHFHSA-N 2 2 324.428 3.294 20 0 DGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000427590959 433732166 /nfs/dbraw/zinc/73/21/66/433732166.db2.gz GBGDWLNJRMVJLG-QWFCFKBJSA-N 2 2 318.505 3.343 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356852268 433732167 /nfs/dbraw/zinc/73/21/67/433732167.db2.gz RHWPZFPLBHBQGJ-LPHOPBHVSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356852268 433732175 /nfs/dbraw/zinc/73/21/75/433732175.db2.gz RHWPZFPLBHBQGJ-LPHOPBHVSA-N 2 2 316.489 3.228 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449285186 433732646 /nfs/dbraw/zinc/73/26/46/433732646.db2.gz QWWULDZWXWLERD-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449285186 433732656 /nfs/dbraw/zinc/73/26/56/433732656.db2.gz QWWULDZWXWLERD-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301806452 433733623 /nfs/dbraw/zinc/73/36/23/433733623.db2.gz XYUPAWRDETUTQY-RDJZCZTQSA-N 2 2 314.477 3.362 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301806452 433733630 /nfs/dbraw/zinc/73/36/30/433733630.db2.gz XYUPAWRDETUTQY-RDJZCZTQSA-N 2 2 314.477 3.362 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421798517 433738091 /nfs/dbraw/zinc/73/80/91/433738091.db2.gz BARBMHLAYGAZBN-PMACEKPBSA-N 2 2 323.484 3.092 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000356871681 433740556 /nfs/dbraw/zinc/74/05/56/433740556.db2.gz OUIOVBHVVHWDHS-CABCVRRESA-N 2 2 322.415 3.196 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCOCC1 ZINC000356872836 433741720 /nfs/dbraw/zinc/74/17/20/433741720.db2.gz PIFALPULILGMMF-OAHLLOKOSA-N 2 2 322.415 3.198 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000414610292 433743775 /nfs/dbraw/zinc/74/37/75/433743775.db2.gz ARQDGFVLWDMAFB-DZGCQCFKSA-N 2 2 302.422 3.309 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000414610292 433743780 /nfs/dbraw/zinc/74/37/80/433743780.db2.gz ARQDGFVLWDMAFB-DZGCQCFKSA-N 2 2 302.422 3.309 20 0 DGADLP CC(C)c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301833860 433748186 /nfs/dbraw/zinc/74/81/86/433748186.db2.gz VENSGJFVTZZGQA-HNNXBMFYSA-N 2 2 302.466 3.398 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCc3cccnc3CC2)[nH+]c1 ZINC000421823586 433749944 /nfs/dbraw/zinc/74/99/44/433749944.db2.gz DHYVTTLJWDUWET-QGZVFWFLSA-N 2 2 310.445 3.206 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421838073 433761443 /nfs/dbraw/zinc/76/14/43/433761443.db2.gz URLCLTHOUUFILQ-WPKBUWHJSA-N 2 2 306.425 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421838073 433761454 /nfs/dbraw/zinc/76/14/54/433761454.db2.gz URLCLTHOUUFILQ-WPKBUWHJSA-N 2 2 306.425 3.358 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721429 433762855 /nfs/dbraw/zinc/76/28/55/433762855.db2.gz JWMGWGWEILAAQI-DOTOQJQBSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721429 433762863 /nfs/dbraw/zinc/76/28/63/433762863.db2.gz JWMGWGWEILAAQI-DOTOQJQBSA-N 2 2 304.478 3.209 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000421847907 433770895 /nfs/dbraw/zinc/77/08/95/433770895.db2.gz ZDCRWMPOKZSXPU-MKBNYLNASA-N 2 2 308.853 3.482 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000421847907 433770904 /nfs/dbraw/zinc/77/09/04/433770904.db2.gz ZDCRWMPOKZSXPU-MKBNYLNASA-N 2 2 308.853 3.482 20 0 DGADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669090 433779959 /nfs/dbraw/zinc/77/99/59/433779959.db2.gz JMODMSRMBUPXAB-IUODEOHRSA-N 2 2 300.368 3.493 20 0 DGADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669090 433779968 /nfs/dbraw/zinc/77/99/68/433779968.db2.gz JMODMSRMBUPXAB-IUODEOHRSA-N 2 2 300.368 3.493 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)no1 ZINC000283877749 433794015 /nfs/dbraw/zinc/79/40/15/433794015.db2.gz CBZKEZLHILRHEM-WMZOPIPTSA-N 2 2 313.445 3.198 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000283877749 433794022 /nfs/dbraw/zinc/79/40/22/433794022.db2.gz CBZKEZLHILRHEM-WMZOPIPTSA-N 2 2 313.445 3.198 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000351931683 433798866 /nfs/dbraw/zinc/79/88/66/433798866.db2.gz SVMYZFANRPFTCZ-UHFFFAOYSA-N 2 2 312.417 3.082 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414773563 433824956 /nfs/dbraw/zinc/82/49/56/433824956.db2.gz XDESRNRKRMKSMP-TZMCWYRMSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414773563 433824963 /nfs/dbraw/zinc/82/49/63/433824963.db2.gz XDESRNRKRMKSMP-TZMCWYRMSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1cccc(CO)c1 ZINC000376731280 433805380 /nfs/dbraw/zinc/80/53/80/433805380.db2.gz YEMJOTXQCCUCIB-FVJLSDCUSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccc(CO)c1 ZINC000376731280 433805390 /nfs/dbraw/zinc/80/53/90/433805390.db2.gz YEMJOTXQCCUCIB-FVJLSDCUSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343482180 433809223 /nfs/dbraw/zinc/80/92/23/433809223.db2.gz VGFKMBPVDTUXQM-YIOZNXECSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343482180 433809231 /nfs/dbraw/zinc/80/92/31/433809231.db2.gz VGFKMBPVDTUXQM-YIOZNXECSA-N 2 2 302.462 3.324 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OC ZINC000414771862 433825337 /nfs/dbraw/zinc/82/53/37/433825337.db2.gz SCZQBMKWISEVKP-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OC ZINC000414771862 433825343 /nfs/dbraw/zinc/82/53/43/433825343.db2.gz SCZQBMKWISEVKP-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP [NH3+]C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000414836692 433872934 /nfs/dbraw/zinc/87/29/34/433872934.db2.gz IVMBQAYSHHYEIS-HXUWFJFHSA-N 3 2 315.505 3.148 20 0 DGADLP CCc1nc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000339970941 433874307 /nfs/dbraw/zinc/87/43/07/433874307.db2.gz UZCHHDGPDWEOOZ-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1CC([NH3+])C1 ZINC000414781192 433828251 /nfs/dbraw/zinc/82/82/51/433828251.db2.gz VMJJIMXMAMLGSA-UHFFFAOYSA-N 2 2 324.472 3.147 20 0 DGADLP C[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1CC([NH3+])C1 ZINC000414781192 433828260 /nfs/dbraw/zinc/82/82/60/433828260.db2.gz VMJJIMXMAMLGSA-UHFFFAOYSA-N 2 2 324.472 3.147 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)C3CCC3)c2cc1C ZINC000357033071 433833917 /nfs/dbraw/zinc/83/39/17/433833917.db2.gz DTELBPJLYZGJCL-NVXWUHKLSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)C3CCC3)c2cc1C ZINC000357033071 433833926 /nfs/dbraw/zinc/83/39/26/433833926.db2.gz DTELBPJLYZGJCL-NVXWUHKLSA-N 2 2 315.461 3.134 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000339866826 433834280 /nfs/dbraw/zinc/83/42/80/433834280.db2.gz MTTHGDZTLLMDOH-GOSISDBHSA-N 2 2 317.477 3.178 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000339866826 433834286 /nfs/dbraw/zinc/83/42/86/433834286.db2.gz MTTHGDZTLLMDOH-GOSISDBHSA-N 2 2 317.477 3.178 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000293722548 433841806 /nfs/dbraw/zinc/84/18/06/433841806.db2.gz VRGANSKSHQCLNK-OAHLLOKOSA-N 2 2 323.440 3.432 20 0 DGADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414803292 433843930 /nfs/dbraw/zinc/84/39/30/433843930.db2.gz NNZNEMBCRHVMNM-QAPCUYQASA-N 3 2 321.896 3.021 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Br)cc1F ZINC000414797401 433844795 /nfs/dbraw/zinc/84/47/95/433844795.db2.gz CXFBSFXXOCOFCE-UHFFFAOYSA-N 2 2 303.219 3.195 20 0 DGADLP Cc1cccn2c(CNCC[NH2+]C3CCCCCC3)c[nH+]c12 ZINC000414805017 433850891 /nfs/dbraw/zinc/85/08/91/433850891.db2.gz LHXBEKTVOYEFAE-UHFFFAOYSA-N 2 2 300.450 3.045 20 0 DGADLP c1nc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377335029 433855572 /nfs/dbraw/zinc/85/55/72/433855572.db2.gz FCFRFFHBWPTHOW-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377335029 433855581 /nfs/dbraw/zinc/85/55/81/433855581.db2.gz FCFRFFHBWPTHOW-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377335029 433855585 /nfs/dbraw/zinc/85/55/85/433855585.db2.gz FCFRFFHBWPTHOW-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377335029 433855594 /nfs/dbraw/zinc/85/55/94/433855594.db2.gz FCFRFFHBWPTHOW-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000414810870 433855913 /nfs/dbraw/zinc/85/59/13/433855913.db2.gz OWWQBYZPZAEVLO-GUDVDZBRSA-N 3 2 315.505 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414810870 433855918 /nfs/dbraw/zinc/85/59/18/433855918.db2.gz OWWQBYZPZAEVLO-GUDVDZBRSA-N 3 2 315.505 3.004 20 0 DGADLP Cc1cc(C)c(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000456843305 433857520 /nfs/dbraw/zinc/85/75/20/433857520.db2.gz PZVMEEZIIGFZRS-UHFFFAOYSA-N 2 2 323.440 3.224 20 0 DGADLP c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000377338588 433859099 /nfs/dbraw/zinc/85/90/99/433859099.db2.gz ZGINVPPLPGHDRT-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000377338588 433859107 /nfs/dbraw/zinc/85/91/07/433859107.db2.gz ZGINVPPLPGHDRT-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000377338588 433859116 /nfs/dbraw/zinc/85/91/16/433859116.db2.gz ZGINVPPLPGHDRT-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000377338588 433859124 /nfs/dbraw/zinc/85/91/24/433859124.db2.gz ZGINVPPLPGHDRT-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799994 433866182 /nfs/dbraw/zinc/86/61/82/433866182.db2.gz ATGTVXUCJQYGMB-DYVFJYSZSA-N 2 2 311.385 3.010 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799994 433866191 /nfs/dbraw/zinc/86/61/91/433866191.db2.gz ATGTVXUCJQYGMB-DYVFJYSZSA-N 2 2 311.385 3.010 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782592 433866315 /nfs/dbraw/zinc/86/63/15/433866315.db2.gz ZJDRTDLDJNXQDH-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782592 433866323 /nfs/dbraw/zinc/86/63/23/433866323.db2.gz ZJDRTDLDJNXQDH-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782592 433866334 /nfs/dbraw/zinc/86/63/34/433866334.db2.gz ZJDRTDLDJNXQDH-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782592 433866343 /nfs/dbraw/zinc/86/63/43/433866343.db2.gz ZJDRTDLDJNXQDH-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP CC[NH2+]CC[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414841275 433878371 /nfs/dbraw/zinc/87/83/71/433878371.db2.gz HNPFHQBKLXAODF-RMKNXTFCSA-N 2 2 310.441 3.478 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414832781 433867919 /nfs/dbraw/zinc/86/79/19/433867919.db2.gz OVBRVBXNADJWQQ-OAHLLOKOSA-N 2 2 322.355 3.086 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414833365 433868181 /nfs/dbraw/zinc/86/81/81/433868181.db2.gz ANHHPGMCYYHNQY-MJGOQNOKSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833365 433868190 /nfs/dbraw/zinc/86/81/90/433868190.db2.gz ANHHPGMCYYHNQY-MJGOQNOKSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827501 433868336 /nfs/dbraw/zinc/86/83/36/433868336.db2.gz HCOVDEDSBCBCIP-FQEVSTJZSA-N 2 2 320.440 3.279 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000414828936 433868652 /nfs/dbraw/zinc/86/86/52/433868652.db2.gz JYPZZXOKMJZXIO-CQSZACIVSA-N 2 2 310.319 3.375 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414837818 433872573 /nfs/dbraw/zinc/87/25/73/433872573.db2.gz VYCSNUBLCHXZSY-CQSZACIVSA-N 2 2 301.459 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1C[NH3+] ZINC000422561893 433918578 /nfs/dbraw/zinc/91/85/78/433918578.db2.gz OBMDAVISDPAOCU-IJLUTSLNSA-N 2 2 307.438 3.241 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1C[NH3+] ZINC000422561893 433918583 /nfs/dbraw/zinc/91/85/83/433918583.db2.gz OBMDAVISDPAOCU-IJLUTSLNSA-N 2 2 307.438 3.241 20 0 DGADLP CCOc1cc(C[NH2+][C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414926981 433919325 /nfs/dbraw/zinc/91/93/25/433919325.db2.gz KMXFAVZYZQVPRW-OAHLLOKOSA-N 2 2 314.429 3.101 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCc4cc(N)ccc43)n2c1 ZINC000414926276 433920140 /nfs/dbraw/zinc/92/01/40/433920140.db2.gz KTKYEOGLDYTKHE-GOSISDBHSA-N 2 2 306.413 3.392 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(c2cc(C)cc[nH+]2)C3)cc1 ZINC000362952156 433924867 /nfs/dbraw/zinc/92/48/67/433924867.db2.gz QCRDSKNXFFIWOD-UHFFFAOYSA-N 2 2 304.397 3.447 20 0 DGADLP CC(C)Sc1cc(Br)ccc1C[NH2+][C@H](C)C[NH3+] ZINC000414937760 433925024 /nfs/dbraw/zinc/92/50/24/433925024.db2.gz WXVXQAHYIJFMBS-SNVBAGLBSA-N 2 2 317.296 3.386 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000303233550 433925350 /nfs/dbraw/zinc/92/53/50/433925350.db2.gz XRNQGHNLBWRYSC-DUXKGJEZSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000303233550 433925356 /nfs/dbraw/zinc/92/53/56/433925356.db2.gz XRNQGHNLBWRYSC-DUXKGJEZSA-N 2 2 324.468 3.015 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414944592 433932204 /nfs/dbraw/zinc/93/22/04/433932204.db2.gz HCDADGSUQYMBKV-SCZZXKLOSA-N 2 2 303.269 3.049 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414956728 433933816 /nfs/dbraw/zinc/93/38/16/433933816.db2.gz OYHXBWXMUTUWMV-IERDGZPVSA-N 2 2 324.468 3.493 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(Cl)c1OC ZINC000414841146 433878857 /nfs/dbraw/zinc/87/88/57/433878857.db2.gz XXJBCOAGXXUGGQ-CQSZACIVSA-N 2 2 320.820 3.147 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000414840652 433879862 /nfs/dbraw/zinc/87/98/62/433879862.db2.gz MPYHTELCEGSOBV-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CCc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000339975596 433879924 /nfs/dbraw/zinc/87/99/24/433879924.db2.gz NMTYKWUFJGFETR-OAHLLOKOSA-N 2 2 314.433 3.580 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000414952982 433934588 /nfs/dbraw/zinc/93/45/88/433934588.db2.gz IYRHGFATBAZLNA-NQIIRXRSSA-N 2 2 322.452 3.029 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414850916 433884623 /nfs/dbraw/zinc/88/46/23/433884623.db2.gz ITPQCUUSYCUVKI-TZMCWYRMSA-N 2 2 319.449 3.427 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414855302 433887457 /nfs/dbraw/zinc/88/74/57/433887457.db2.gz WRQXGQFHQFTJLC-GOSISDBHSA-N 2 2 323.912 3.267 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]Cc1ccc2ncccc2c1 ZINC000414955747 433934791 /nfs/dbraw/zinc/93/47/91/433934791.db2.gz NIKSNCZILREJNY-FQEVSTJZSA-N 2 2 303.409 3.211 20 0 DGADLP Fc1cccc(COc2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)c1 ZINC000414865315 433892300 /nfs/dbraw/zinc/89/23/00/433892300.db2.gz KOWNHCXIWHSQNM-SFHVURJKSA-N 2 2 314.404 3.246 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295891 433944127 /nfs/dbraw/zinc/94/41/27/433944127.db2.gz XQVPOHGXNJGZAL-RTBURBONSA-N 2 2 304.478 3.474 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295891 433944133 /nfs/dbraw/zinc/94/41/33/433944133.db2.gz XQVPOHGXNJGZAL-RTBURBONSA-N 2 2 304.478 3.474 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC1CCCC1 ZINC000422710409 433945204 /nfs/dbraw/zinc/94/52/04/433945204.db2.gz LEWSUNCEPZLKIL-WMLDXEAASA-N 2 2 318.461 3.104 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(Br)c1 ZINC000414980876 433952367 /nfs/dbraw/zinc/95/23/67/433952367.db2.gz XBCDFRDTZYUAOX-CQSZACIVSA-N 2 2 311.267 3.235 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340174479 433959475 /nfs/dbraw/zinc/95/94/75/433959475.db2.gz OPKCPJWHMFSMPO-ROUUACIJSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340174479 433959478 /nfs/dbraw/zinc/95/94/78/433959478.db2.gz OPKCPJWHMFSMPO-ROUUACIJSA-N 2 2 311.429 3.015 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340177118 433959510 /nfs/dbraw/zinc/95/95/10/433959510.db2.gz LLTLKUYPDCGSOR-MOPGFXCFSA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340177118 433959514 /nfs/dbraw/zinc/95/95/14/433959514.db2.gz LLTLKUYPDCGSOR-MOPGFXCFSA-N 2 2 324.472 3.073 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340182084 433962164 /nfs/dbraw/zinc/96/21/64/433962164.db2.gz PLLNMLSKTDCOFH-VQTJNVASSA-N 3 2 315.505 3.288 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340182084 433962173 /nfs/dbraw/zinc/96/21/73/433962173.db2.gz PLLNMLSKTDCOFH-VQTJNVASSA-N 3 2 315.505 3.288 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000422747529 433972761 /nfs/dbraw/zinc/97/27/61/433972761.db2.gz QHMYIPMZELSFNZ-WMZOPIPTSA-N 3 2 312.461 3.273 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C[C@@H]1c1ccccc1 ZINC000340193269 433974334 /nfs/dbraw/zinc/97/43/34/433974334.db2.gz XIBNSBSDUCGPGZ-QZTJIDSGSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C[C@@H]1c1ccccc1 ZINC000340193269 433974342 /nfs/dbraw/zinc/97/43/42/433974342.db2.gz XIBNSBSDUCGPGZ-QZTJIDSGSA-N 2 2 324.424 3.340 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422758185 433976015 /nfs/dbraw/zinc/97/60/15/433976015.db2.gz NQDABKHAYMPLBZ-FMKPAKJESA-N 2 2 306.450 3.275 20 0 DGADLP C[C@H](NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753762 433978024 /nfs/dbraw/zinc/97/80/24/433978024.db2.gz GJJHRGPCPOIECN-JQFCIGGWSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422753762 433978027 /nfs/dbraw/zinc/97/80/27/433978027.db2.gz GJJHRGPCPOIECN-JQFCIGGWSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422759670 433979083 /nfs/dbraw/zinc/97/90/83/433979083.db2.gz FYDYTDNBFBKMFA-HOJAQTOUSA-N 3 2 315.505 3.334 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422759670 433979092 /nfs/dbraw/zinc/97/90/92/433979092.db2.gz FYDYTDNBFBKMFA-HOJAQTOUSA-N 3 2 315.505 3.334 20 0 DGADLP C[N@H+](Cc1cn2cc(Cl)ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285529759 433983092 /nfs/dbraw/zinc/98/30/92/433983092.db2.gz PBJQFTGFDACMMS-XYPWUTKMSA-N 2 2 318.852 3.045 20 0 DGADLP C[N@@H+](Cc1cn2cc(Cl)ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285529759 433983104 /nfs/dbraw/zinc/98/31/04/433983104.db2.gz PBJQFTGFDACMMS-XYPWUTKMSA-N 2 2 318.852 3.045 20 0 DGADLP C[NH+](Cc1cn2cc(Cl)ccc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285529759 433983116 /nfs/dbraw/zinc/98/31/16/433983116.db2.gz PBJQFTGFDACMMS-XYPWUTKMSA-N 2 2 318.852 3.045 20 0 DGADLP C[NH+](Cc1cn2cc(Cl)ccc2n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285529759 433983130 /nfs/dbraw/zinc/98/31/30/433983130.db2.gz PBJQFTGFDACMMS-XYPWUTKMSA-N 2 2 318.852 3.045 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C[NH3+] ZINC000422640008 433936628 /nfs/dbraw/zinc/93/66/28/433936628.db2.gz UJTOVLQPNFSITR-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C[NH3+] ZINC000422640008 433936636 /nfs/dbraw/zinc/93/66/36/433936636.db2.gz UJTOVLQPNFSITR-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000414962685 433938307 /nfs/dbraw/zinc/93/83/07/433938307.db2.gz ZWGLHKLSAIIIOY-CABZTGNLSA-N 2 2 317.658 3.333 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)c2ccccc21 ZINC000422705116 433938551 /nfs/dbraw/zinc/93/85/51/433938551.db2.gz QXBJAFWCGFLTRM-MAUKXSAKSA-N 3 2 306.413 3.230 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)[nH]c2c1 ZINC000422704983 433939575 /nfs/dbraw/zinc/93/95/75/433939575.db2.gz QTMQFHBXGUQEPR-BZUAXINKSA-N 3 2 312.461 3.006 20 0 DGADLP Fc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c2ncccc12 ZINC000414960048 433940263 /nfs/dbraw/zinc/94/02/63/433940263.db2.gz TUSFKTIVUXMOHY-LJQANCHMSA-N 2 2 321.399 3.351 20 0 DGADLP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000294115039 434002876 /nfs/dbraw/zinc/00/28/76/434002876.db2.gz NCGHUDJWMMLIJD-INIZCTEOSA-N 2 2 301.438 3.025 20 0 DGADLP CCn1ccnc1[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000294115039 434002887 /nfs/dbraw/zinc/00/28/87/434002887.db2.gz NCGHUDJWMMLIJD-INIZCTEOSA-N 2 2 301.438 3.025 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422792281 434006912 /nfs/dbraw/zinc/00/69/12/434006912.db2.gz WBHGQSZSIORBPC-MOPGFXCFSA-N 3 2 303.494 3.149 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422796798 434010477 /nfs/dbraw/zinc/01/04/77/434010477.db2.gz KNDLXDGHYSFUFJ-STQMWFEESA-N 2 2 302.340 3.205 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](c1ccsc1)[NH+](C)C ZINC000422800121 434011596 /nfs/dbraw/zinc/01/15/96/434011596.db2.gz AVJFGBCYESFKSE-DJIMGWMZSA-N 2 2 309.523 3.251 20 0 DGADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422809018 434020806 /nfs/dbraw/zinc/02/08/06/434020806.db2.gz RCNZXRPLUUOOFX-YLJYHZDGSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422813057 434026629 /nfs/dbraw/zinc/02/66/29/434026629.db2.gz XIAZEKYANFVCTJ-WDMOLILDSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422823604 434030366 /nfs/dbraw/zinc/03/03/66/434030366.db2.gz LWLDYSXYWPTQJN-JKSUJKDBSA-N 3 2 312.461 3.055 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422823604 434030375 /nfs/dbraw/zinc/03/03/75/434030375.db2.gz LWLDYSXYWPTQJN-JKSUJKDBSA-N 3 2 312.461 3.055 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422829648 434035487 /nfs/dbraw/zinc/03/54/87/434035487.db2.gz QDWOHEFSFCRVOV-GOEBONIOSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422829199 434037137 /nfs/dbraw/zinc/03/71/37/434037137.db2.gz PMUMIKGKVVTSEY-YLJYHZDGSA-N 3 2 315.505 3.293 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000422836624 434043698 /nfs/dbraw/zinc/04/36/98/434043698.db2.gz KOFXDMZOWLYCDJ-UMGGQSCQSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836624 434043706 /nfs/dbraw/zinc/04/37/06/434043706.db2.gz KOFXDMZOWLYCDJ-UMGGQSCQSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c[nH+]ccc1N ZINC000422842301 434045425 /nfs/dbraw/zinc/04/54/25/434045425.db2.gz XZEHTZMUQNIECC-SOLBZPMBSA-N 3 2 324.472 3.198 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c[nH+]ccc1N ZINC000422842301 434045434 /nfs/dbraw/zinc/04/54/34/434045434.db2.gz XZEHTZMUQNIECC-SOLBZPMBSA-N 3 2 324.472 3.198 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422841976 434046123 /nfs/dbraw/zinc/04/61/23/434046123.db2.gz DWBSIAGTHLKORD-MTQWCTHYSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@H]1CCCC[NH2+]1 ZINC000422787397 434000881 /nfs/dbraw/zinc/00/08/81/434000881.db2.gz QFDIFJNOUXVDIC-RHSMWYFYSA-N 2 2 315.486 3.473 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414954391 293892766 /nfs/dbraw/zinc/89/27/66/293892766.db2.gz LHPKTOFFUUMVKC-LJQANCHMSA-N 2 2 314.473 3.202 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414956730 293894084 /nfs/dbraw/zinc/89/40/84/293894084.db2.gz OYHXBWXMUTUWMV-IIBYNOLFSA-N 2 2 324.468 3.493 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000422869666 434064601 /nfs/dbraw/zinc/06/46/01/434064601.db2.gz WQIZMIAKUJBNMT-BFHYXJOUSA-N 2 2 308.495 3.062 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(OCC(F)(F)F)c1 ZINC000422866163 434064980 /nfs/dbraw/zinc/06/49/80/434064980.db2.gz PYABIWATXOLKAQ-TZMCWYRMSA-N 2 2 316.367 3.024 20 0 DGADLP Cn1c2ccccc2nc1[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422881327 434075850 /nfs/dbraw/zinc/07/58/50/434075850.db2.gz QCGRTVJTIABHPA-LJQANCHMSA-N 2 2 320.440 3.004 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882943 434080460 /nfs/dbraw/zinc/08/04/60/434080460.db2.gz PPTOKNPDUBRFJK-ZWOKBUDYSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882943 434080474 /nfs/dbraw/zinc/08/04/74/434080474.db2.gz PPTOKNPDUBRFJK-ZWOKBUDYSA-N 3 2 315.505 3.149 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422882710 434080911 /nfs/dbraw/zinc/08/09/11/434080911.db2.gz STIFNDKOJRTWCP-CYBMUJFWSA-N 2 2 322.412 3.355 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000422886546 434082867 /nfs/dbraw/zinc/08/28/67/434082867.db2.gz WWVOIRNTIOBKLL-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000422886546 434082876 /nfs/dbraw/zinc/08/28/76/434082876.db2.gz WWVOIRNTIOBKLL-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)C[C@@H]1c1ccccc1 ZINC000340362156 434089300 /nfs/dbraw/zinc/08/93/00/434089300.db2.gz NOGAOYZKKOEWNC-RCCFBDPRSA-N 2 2 314.429 3.128 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422896954 434091659 /nfs/dbraw/zinc/09/16/59/434091659.db2.gz YYIFTHITDTWSEE-WMZOPIPTSA-N 2 2 316.493 3.082 20 0 DGADLP COc1cccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1F ZINC000309772546 434094174 /nfs/dbraw/zinc/09/41/74/434094174.db2.gz SSDIZEULZVHDJW-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP COc1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1F ZINC000309772546 434094182 /nfs/dbraw/zinc/09/41/82/434094182.db2.gz SSDIZEULZVHDJW-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000422903050 434096812 /nfs/dbraw/zinc/09/68/12/434096812.db2.gz NXBOQGDJBXMUEQ-JMSVASOKSA-N 2 2 316.367 3.419 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422844750 434048504 /nfs/dbraw/zinc/04/85/04/434048504.db2.gz MXTXEBTUCJLEGT-SJORKVTESA-N 2 2 312.413 3.328 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422849714 434052146 /nfs/dbraw/zinc/05/21/46/434052146.db2.gz CJCIMYAFMCGDID-GXTWGEPZSA-N 2 2 316.367 3.166 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352808426 434053021 /nfs/dbraw/zinc/05/30/21/434053021.db2.gz CLPUTTQLYAPGIR-LQJIQPLVSA-N 2 2 314.473 3.430 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352808426 434053028 /nfs/dbraw/zinc/05/30/28/434053028.db2.gz CLPUTTQLYAPGIR-LQJIQPLVSA-N 2 2 314.473 3.430 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450251089 434055822 /nfs/dbraw/zinc/05/58/22/434055822.db2.gz QWVDLHFMCOWVNK-LLVKDONJSA-N 2 2 320.318 3.373 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861190 434059482 /nfs/dbraw/zinc/05/94/82/434059482.db2.gz MMZLVKXYWYMKLZ-ZWOKBUDYSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861190 434059495 /nfs/dbraw/zinc/05/94/95/434059495.db2.gz MMZLVKXYWYMKLZ-ZWOKBUDYSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422862036 434060012 /nfs/dbraw/zinc/06/00/12/434060012.db2.gz NETSWBJDYPLUKP-GUYCJALGSA-N 2 2 315.392 3.243 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000422862037 434060761 /nfs/dbraw/zinc/06/07/61/434060761.db2.gz NETSWBJDYPLUKP-SUMWQHHRSA-N 2 2 315.392 3.243 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccncc2)cs1 ZINC000422911182 434102647 /nfs/dbraw/zinc/10/26/47/434102647.db2.gz KDLMFBPPWTUJQJ-SQPSOYEMSA-N 2 2 314.458 3.139 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000422908079 434103649 /nfs/dbraw/zinc/10/36/49/434103649.db2.gz XZHXKQDPPGOJFH-DLBZAZTESA-N 3 2 316.424 3.069 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397961 434105034 /nfs/dbraw/zinc/10/50/34/434105034.db2.gz WFKHKRYTEBJFJT-ROUUACIJSA-N 2 2 318.461 3.388 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340397961 434105041 /nfs/dbraw/zinc/10/50/41/434105041.db2.gz WFKHKRYTEBJFJT-ROUUACIJSA-N 2 2 318.461 3.388 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1O ZINC000353423930 434122835 /nfs/dbraw/zinc/12/28/35/434122835.db2.gz FWHWLDJGZMHOLQ-AWEZNQCLSA-N 2 2 323.396 3.437 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000422927691 434111026 /nfs/dbraw/zinc/11/10/26/434111026.db2.gz ZRCGTTWBXPVPGZ-JCQOCUOUSA-N 2 2 322.880 3.394 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)cc1F ZINC000310756603 434111630 /nfs/dbraw/zinc/11/16/30/434111630.db2.gz ABHBTEWEPYTACR-WDEREUQCSA-N 2 2 317.246 3.437 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1F)C[NH+](C)C ZINC000310756600 434112744 /nfs/dbraw/zinc/11/27/44/434112744.db2.gz ABHBTEWEPYTACR-GHMZBOCLSA-N 2 2 317.246 3.437 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000422925329 434113948 /nfs/dbraw/zinc/11/39/48/434113948.db2.gz BKTRTWIOQAZPEI-GYSYKLTISA-N 2 2 302.340 3.376 20 0 DGADLP COc1ccncc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340409992 434114609 /nfs/dbraw/zinc/11/46/09/434114609.db2.gz XJASGJIYEXAQBS-ROUUACIJSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340409992 434114617 /nfs/dbraw/zinc/11/46/17/434114617.db2.gz XJASGJIYEXAQBS-ROUUACIJSA-N 2 2 311.429 3.015 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932348 434117762 /nfs/dbraw/zinc/11/77/62/434117762.db2.gz FNXYGSOLEDGWGV-APWZRJJASA-N 2 2 310.441 3.320 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422909690 434101234 /nfs/dbraw/zinc/10/12/34/434101234.db2.gz ORYSDQFELCTOKD-QRQLOZEOSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909690 434101241 /nfs/dbraw/zinc/10/12/41/434101241.db2.gz ORYSDQFELCTOKD-QRQLOZEOSA-N 3 2 307.526 3.009 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701265 294092050 /nfs/dbraw/zinc/09/20/50/294092050.db2.gz YDFKZPWOSDMAJK-DBVUQKKJSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701265 294092053 /nfs/dbraw/zinc/09/20/53/294092053.db2.gz YDFKZPWOSDMAJK-DBVUQKKJSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)ccn2)cn1 ZINC000285975057 434123844 /nfs/dbraw/zinc/12/38/44/434123844.db2.gz HIWOZYQFAQOHOO-CQSZACIVSA-N 2 2 307.401 3.130 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000500473924 294113626 /nfs/dbraw/zinc/11/36/26/294113626.db2.gz FCVYPOZWCDNPHT-QMCVQRASSA-N 2 2 324.415 3.399 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000500473924 294113628 /nfs/dbraw/zinc/11/36/28/294113628.db2.gz FCVYPOZWCDNPHT-QMCVQRASSA-N 2 2 324.415 3.399 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)cc1F ZINC000500502731 294115838 /nfs/dbraw/zinc/11/58/38/294115838.db2.gz XYSQWDQVSRHFKP-MIGQKNRLSA-N 2 2 318.436 3.295 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)cc1F ZINC000500502731 294115840 /nfs/dbraw/zinc/11/58/40/294115840.db2.gz XYSQWDQVSRHFKP-MIGQKNRLSA-N 2 2 318.436 3.295 20 0 DGADLP CCc1cc(OC)ccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000501385059 294139759 /nfs/dbraw/zinc/13/97/59/294139759.db2.gz CBURENZDBNVDSY-UHFFFAOYSA-N 2 2 309.413 3.238 20 0 DGADLP Cc1ccc2c(C)cc(NCCc3cn4c([nH+]3)CCCC4)[nH+]c2c1 ZINC000502107812 294157680 /nfs/dbraw/zinc/15/76/80/294157680.db2.gz FWOFOFPVMTYPJM-UHFFFAOYSA-N 2 2 320.440 3.461 20 0 DGADLP CC[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000503104555 294185701 /nfs/dbraw/zinc/18/57/01/294185701.db2.gz RBFBFHPZJGHPEP-OALUTQOASA-N 2 2 316.489 3.224 20 0 DGADLP CC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000503104555 294185704 /nfs/dbraw/zinc/18/57/04/294185704.db2.gz RBFBFHPZJGHPEP-OALUTQOASA-N 2 2 316.489 3.224 20 0 DGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC1(C)COC1 ZINC000503218564 294189299 /nfs/dbraw/zinc/18/92/99/294189299.db2.gz DCJVMXBNQOIBGU-SFHVURJKSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC1(C)COC1 ZINC000503218564 294189301 /nfs/dbraw/zinc/18/93/01/294189301.db2.gz DCJVMXBNQOIBGU-SFHVURJKSA-N 2 2 316.489 3.086 20 0 DGADLP Cc1cccn2c(CN3CC[NH+](C4CCCCC4)CC3)c[nH+]c12 ZINC000506378971 294270023 /nfs/dbraw/zinc/27/00/23/294270023.db2.gz HCGIYACEEJPWJT-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C[N@@H+](Cc1conc1Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000507366741 294295595 /nfs/dbraw/zinc/29/55/95/294295595.db2.gz INWJJWTXMIKCQY-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP C[N@H+](Cc1conc1Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000507366741 294295598 /nfs/dbraw/zinc/29/55/98/294295598.db2.gz INWJJWTXMIKCQY-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP C[NH+](Cc1conc1Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000507366741 294295601 /nfs/dbraw/zinc/29/56/01/294295601.db2.gz INWJJWTXMIKCQY-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP C[NH+](Cc1conc1Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000507366741 294295604 /nfs/dbraw/zinc/29/56/04/294295604.db2.gz INWJJWTXMIKCQY-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509020530 294338303 /nfs/dbraw/zinc/33/83/03/294338303.db2.gz FDYBNJACJWMTKN-ZWKOTPCHSA-N 2 2 303.494 3.223 20 0 DGADLP CC[C@H]1[C@H](C)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120519 294340256 /nfs/dbraw/zinc/34/02/56/294340256.db2.gz GFHNGOSWKCEBFR-QUCCMNQESA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@H]1[C@H](C)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120519 294340260 /nfs/dbraw/zinc/34/02/60/294340260.db2.gz GFHNGOSWKCEBFR-QUCCMNQESA-N 2 2 315.505 3.319 20 0 DGADLP CC(C)[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC000509358427 294348121 /nfs/dbraw/zinc/34/81/21/294348121.db2.gz OPAXBHDARNOPGZ-UHFFFAOYSA-N 2 2 315.505 3.462 20 0 DGADLP CC(C)[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC000509358427 294348124 /nfs/dbraw/zinc/34/81/24/294348124.db2.gz OPAXBHDARNOPGZ-UHFFFAOYSA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@@]1(C)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509366691 294348709 /nfs/dbraw/zinc/34/87/09/294348709.db2.gz PMZIIVRORPJQFQ-FQEVSTJZSA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@@]1(C)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509366691 294348710 /nfs/dbraw/zinc/34/87/10/294348710.db2.gz PMZIIVRORPJQFQ-FQEVSTJZSA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651435 294359615 /nfs/dbraw/zinc/35/96/15/294359615.db2.gz KNCHQPGOEKCGEY-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651435 294359618 /nfs/dbraw/zinc/35/96/18/294359618.db2.gz KNCHQPGOEKCGEY-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCCCC2)n1 ZINC000353441301 434132229 /nfs/dbraw/zinc/13/22/29/434132229.db2.gz MITXPVWIEKSMHW-KRWDZBQOSA-N 2 2 302.466 3.248 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])o2)cs1 ZINC000422951078 434133144 /nfs/dbraw/zinc/13/31/44/434133144.db2.gz XKBUPNIAQGMTMK-ZIAGYGMSSA-N 2 2 305.447 3.461 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCC2)c(C)c1OC ZINC000353444413 434137291 /nfs/dbraw/zinc/13/72/91/434137291.db2.gz UKSIXAYXCPYNQO-HNNXBMFYSA-N 2 2 320.477 3.019 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000422955409 434137491 /nfs/dbraw/zinc/13/74/91/434137491.db2.gz JFMFKTWOYWIROY-IINYFYTJSA-N 2 2 315.230 3.208 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCOC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000353449075 434142381 /nfs/dbraw/zinc/14/23/81/434142381.db2.gz MKEBNWDMDNZSEH-HXUWFJFHSA-N 2 2 310.441 3.266 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCOC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000353449075 434142387 /nfs/dbraw/zinc/14/23/87/434142387.db2.gz MKEBNWDMDNZSEH-HXUWFJFHSA-N 2 2 310.441 3.266 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000353455047 434144903 /nfs/dbraw/zinc/14/49/03/434144903.db2.gz NUKRUFBCEZSRNB-GFCCVEGCSA-N 2 2 310.463 3.060 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000363868491 434165720 /nfs/dbraw/zinc/16/57/20/434165720.db2.gz VYANHZWJBWYOMC-CQSZACIVSA-N 2 2 301.409 3.122 20 0 DGADLP Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000353457588 434147133 /nfs/dbraw/zinc/14/71/33/434147133.db2.gz GSKBSVHSSOZEEE-UHFFFAOYSA-N 2 2 314.477 3.871 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422977652 434150614 /nfs/dbraw/zinc/15/06/14/434150614.db2.gz XAWVDDOCIKXYQO-SJORKVTESA-N 2 2 303.450 3.023 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+]Cc2cccc3[nH+]ccn32)cn1 ZINC000378346599 434152630 /nfs/dbraw/zinc/15/26/30/434152630.db2.gz GDHAYRGKSRQCSY-UHFFFAOYSA-N 2 2 317.396 3.025 20 0 DGADLP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450400222 434154584 /nfs/dbraw/zinc/15/45/84/434154584.db2.gz FRRQSAMPKGRCHI-INIZCTEOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450400222 434154592 /nfs/dbraw/zinc/15/45/92/434154592.db2.gz FRRQSAMPKGRCHI-INIZCTEOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000423003112 434162728 /nfs/dbraw/zinc/16/27/28/434162728.db2.gz GZEUETMTUGSENN-OTWHNJEPSA-N 3 2 324.472 3.152 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423027038 434170480 /nfs/dbraw/zinc/17/04/80/434170480.db2.gz CSCOUPPGMVSLLX-MTYUVTTFSA-N 2 2 320.452 3.209 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000450427810 434170665 /nfs/dbraw/zinc/17/06/65/434170665.db2.gz GKTLNEDDYPNSOM-HNNXBMFYSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000450427810 434170674 /nfs/dbraw/zinc/17/06/74/434170674.db2.gz GKTLNEDDYPNSOM-HNNXBMFYSA-N 2 2 308.853 3.266 20 0 DGADLP CCCCn1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)n1 ZINC000423019214 434172412 /nfs/dbraw/zinc/17/24/12/434172412.db2.gz USDRUAPBOUQBGU-KXBFYZLASA-N 2 2 314.477 3.040 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423037798 434181078 /nfs/dbraw/zinc/18/10/78/434181078.db2.gz BZCVFHVZCKTTPJ-LZQZEXGQSA-N 2 2 302.462 3.275 20 0 DGADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439691 434182953 /nfs/dbraw/zinc/18/29/53/434182953.db2.gz SZHOXCGOMVETLG-UYAOXDASSA-N 2 2 321.424 3.422 20 0 DGADLP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439691 434182956 /nfs/dbraw/zinc/18/29/56/434182956.db2.gz SZHOXCGOMVETLG-UYAOXDASSA-N 2 2 321.424 3.422 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353502772 434184192 /nfs/dbraw/zinc/18/41/92/434184192.db2.gz GWUJGYXMJCIBGL-CQSZACIVSA-N 2 2 308.385 3.075 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3COCc4ccccc43)cc2)c[nH+]1 ZINC000340529331 434189599 /nfs/dbraw/zinc/18/95/99/434189599.db2.gz WWSQLHJZMWSDJE-LJQANCHMSA-N 2 2 305.381 3.233 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1c2ccccc2CCC[C@H]1C ZINC000423056278 434193074 /nfs/dbraw/zinc/19/30/74/434193074.db2.gz XXFJNIQBXQXBOE-FXRXJOCMSA-N 2 2 302.462 3.057 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522002 434197308 /nfs/dbraw/zinc/19/73/08/434197308.db2.gz RIINUZZWPFDBGK-OTBHMBEGSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522002 434197318 /nfs/dbraw/zinc/19/73/18/434197318.db2.gz RIINUZZWPFDBGK-OTBHMBEGSA-N 3 2 315.505 3.284 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@@H]1[NH3+] ZINC000316897140 434198210 /nfs/dbraw/zinc/19/82/10/434198210.db2.gz SYZVBWMPOJSLHF-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@@H]1[NH3+] ZINC000316897140 434198221 /nfs/dbraw/zinc/19/82/21/434198221.db2.gz SYZVBWMPOJSLHF-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000295102606 434200107 /nfs/dbraw/zinc/20/01/07/434200107.db2.gz SZGJGLAYADVIEP-LMMKCTJWSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000295102606 434200122 /nfs/dbraw/zinc/20/01/22/434200122.db2.gz SZGJGLAYADVIEP-LMMKCTJWSA-N 2 2 304.478 3.038 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423066402 434203406 /nfs/dbraw/zinc/20/34/06/434203406.db2.gz WVPSRRYHJNRSTI-HSALFYBXSA-N 3 2 315.505 3.147 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423066402 434203420 /nfs/dbraw/zinc/20/34/20/434203420.db2.gz WVPSRRYHJNRSTI-HSALFYBXSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)[C@@H]1CCC[NH2+]1 ZINC000423081581 434208322 /nfs/dbraw/zinc/20/83/22/434208322.db2.gz DBQBYCJZBIFTSC-CJNGLKHVSA-N 2 2 315.392 3.243 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000450470226 434208739 /nfs/dbraw/zinc/20/87/39/434208739.db2.gz TZBRYANUVNOOLB-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@H+]1C ZINC000450470226 434208747 /nfs/dbraw/zinc/20/87/47/434208747.db2.gz TZBRYANUVNOOLB-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470226 434208759 /nfs/dbraw/zinc/20/87/59/434208759.db2.gz TZBRYANUVNOOLB-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470226 434208767 /nfs/dbraw/zinc/20/87/67/434208767.db2.gz TZBRYANUVNOOLB-RHSMWYFYSA-N 2 2 306.425 3.203 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437098592 434213322 /nfs/dbraw/zinc/21/33/22/434213322.db2.gz QCIOEBZVVIWVJI-SFHVURJKSA-N 2 2 304.478 3.302 20 0 DGADLP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092451 434213352 /nfs/dbraw/zinc/21/33/52/434213352.db2.gz BXYHTGPZTWDCAY-IYWMVGAKSA-N 3 2 319.537 3.294 20 0 DGADLP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092451 434213361 /nfs/dbraw/zinc/21/33/61/434213361.db2.gz BXYHTGPZTWDCAY-IYWMVGAKSA-N 3 2 319.537 3.294 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+](C)C)CCC1)CC3 ZINC000437097495 434213817 /nfs/dbraw/zinc/21/38/17/434213817.db2.gz VFNVIENVPQBRFS-OAHLLOKOSA-N 2 2 311.473 3.408 20 0 DGADLP Clc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000423018946 434166144 /nfs/dbraw/zinc/16/61/44/434166144.db2.gz SNRPKDOBEVIZNM-DOTOQJQBSA-N 2 2 301.821 3.318 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2nccn21 ZINC000295177076 434243553 /nfs/dbraw/zinc/24/35/53/434243553.db2.gz GYKYJYWZKXYZPM-QFBILLFUSA-N 2 2 324.472 3.186 20 0 DGADLP C[C@@H](NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000423143987 434245082 /nfs/dbraw/zinc/24/50/82/434245082.db2.gz FVUZDXOMKBPVRF-CZUORRHYSA-N 2 2 318.852 3.146 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)CCC2 ZINC000364154762 434249179 /nfs/dbraw/zinc/24/91/79/434249179.db2.gz HFNRVUFBCXOKPC-BBRMVZONSA-N 2 2 301.409 3.429 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccccc1F)CCC2 ZINC000364154764 434249200 /nfs/dbraw/zinc/24/92/00/434249200.db2.gz HFNRVUFBCXOKPC-CJNGLKHVSA-N 2 2 301.409 3.429 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423165688 434258151 /nfs/dbraw/zinc/25/81/51/434258151.db2.gz QBTUYKRLSILDDL-MOIQIXESSA-N 2 2 322.880 3.333 20 0 DGADLP Cc1cc(NC[C@@H](C2CCCCC2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000346689018 434259277 /nfs/dbraw/zinc/25/92/77/434259277.db2.gz PNSARCCONWEEJS-INIZCTEOSA-N 2 2 302.466 3.585 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CCSC1 ZINC000286398570 434259701 /nfs/dbraw/zinc/25/97/01/434259701.db2.gz HFQXPHXRBLHTCI-CWDCEQMOSA-N 2 2 312.429 3.005 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379626619 434261047 /nfs/dbraw/zinc/26/10/47/434261047.db2.gz MGALFJDFOOUFED-HNAYVOBHSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379626619 434261052 /nfs/dbraw/zinc/26/10/52/434261052.db2.gz MGALFJDFOOUFED-HNAYVOBHSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c2nccn21 ZINC000295221784 434262646 /nfs/dbraw/zinc/26/26/46/434262646.db2.gz MWRTUIVPWAUONN-IUODEOHRSA-N 2 2 311.364 3.004 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423181708 434266349 /nfs/dbraw/zinc/26/63/49/434266349.db2.gz PIHBCLFOVVHWKB-HNNXBMFYSA-N 3 2 312.461 3.493 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000423188055 434270364 /nfs/dbraw/zinc/27/03/64/434270364.db2.gz QCKGUVHVCSQUJQ-GRLGQGAKSA-N 2 2 316.489 3.315 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000423188056 434272750 /nfs/dbraw/zinc/27/27/50/434272750.db2.gz QCKGUVHVCSQUJQ-HHUCQEJWSA-N 2 2 316.489 3.315 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000423106888 434222712 /nfs/dbraw/zinc/22/27/12/434222712.db2.gz ROOFGUMVZPQWTK-MSOLQXFVSA-N 3 2 307.526 3.010 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423114443 434226792 /nfs/dbraw/zinc/22/67/92/434226792.db2.gz VRLYBAKANRLACN-RULNRJAQSA-N 2 2 315.230 3.379 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000295153017 434231883 /nfs/dbraw/zinc/23/18/83/434231883.db2.gz JTNGPHRNAZSYRZ-ROUUACIJSA-N 2 2 302.462 3.289 20 0 DGADLP CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423121595 434232023 /nfs/dbraw/zinc/23/20/23/434232023.db2.gz AVBVWNYHKUCLMY-OCCSQVGLSA-N 2 2 309.251 3.024 20 0 DGADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423125264 434235296 /nfs/dbraw/zinc/23/52/96/434235296.db2.gz QBUHEIJLBYQIBQ-SNPRPXQTSA-N 2 2 300.368 3.138 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@H](C)CCC[NH3+])[NH+](C)C)cc1 ZINC000423130813 434239153 /nfs/dbraw/zinc/23/91/53/434239153.db2.gz SEHSGZZDLBQVKJ-APWZRJJASA-N 3 2 305.510 3.205 20 0 DGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@H+](C)CCO)CC2)cc1 ZINC000358026977 434295305 /nfs/dbraw/zinc/29/53/05/434295305.db2.gz CLWOWLNATRCBFW-UHFFFAOYSA-N 2 2 322.518 3.076 20 0 DGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000358026977 434295314 /nfs/dbraw/zinc/29/53/14/434295314.db2.gz CLWOWLNATRCBFW-UHFFFAOYSA-N 2 2 322.518 3.076 20 0 DGADLP C[N@H+](Cc1ccc(Cl)c(Br)c1)C1(C[NH3+])CCC1 ZINC000385141242 434298409 /nfs/dbraw/zinc/29/84/09/434298409.db2.gz HOTATOLJMKVNGU-UHFFFAOYSA-N 2 2 317.658 3.416 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)c(Br)c1)C1(C[NH3+])CCC1 ZINC000385141242 434298415 /nfs/dbraw/zinc/29/84/15/434298415.db2.gz HOTATOLJMKVNGU-UHFFFAOYSA-N 2 2 317.658 3.416 20 0 DGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)c1ccn(C)n1 ZINC000423232360 434298692 /nfs/dbraw/zinc/29/86/92/434298692.db2.gz BZDLREZEXWFGMF-IRXDYDNUSA-N 2 2 300.450 3.284 20 0 DGADLP Cc1ccc([C@H]2COCC[N@@H+]2CCCc2ccc(C)[nH+]c2)o1 ZINC000353647775 434298996 /nfs/dbraw/zinc/29/89/96/434298996.db2.gz HMGSOFHVULYVMJ-QGZVFWFLSA-N 2 2 300.402 3.298 20 0 DGADLP Cc1ccc([C@H]2COCC[N@H+]2CCCc2ccc(C)[nH+]c2)o1 ZINC000353647775 434299001 /nfs/dbraw/zinc/29/90/01/434299001.db2.gz HMGSOFHVULYVMJ-QGZVFWFLSA-N 2 2 300.402 3.298 20 0 DGADLP CCc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000423229920 434301405 /nfs/dbraw/zinc/30/14/05/434301405.db2.gz IGWSSFSXPMOWTO-HNNXBMFYSA-N 2 2 310.445 3.227 20 0 DGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC000423228967 434301596 /nfs/dbraw/zinc/30/15/96/434301596.db2.gz GCXBZQKIALMUTL-CYBMUJFWSA-N 2 2 302.447 3.034 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423237805 434303518 /nfs/dbraw/zinc/30/35/18/434303518.db2.gz IPQJVXVJVIWDLV-GUYCJALGSA-N 2 2 300.450 3.297 20 0 DGADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1C ZINC000423239746 434305910 /nfs/dbraw/zinc/30/59/10/434305910.db2.gz WTWOWXBBGUHADC-INIZCTEOSA-N 2 2 310.445 3.281 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000423246064 434310421 /nfs/dbraw/zinc/31/04/21/434310421.db2.gz JUEWDECQFGFMKC-UONOGXRCSA-N 2 2 306.331 3.381 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCOC2(C)C)CCC1 ZINC000386806221 434312189 /nfs/dbraw/zinc/31/21/89/434312189.db2.gz CRRUBLGZZXEVKI-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCOC2(C)C)CCC1 ZINC000386806221 434312197 /nfs/dbraw/zinc/31/21/97/434312197.db2.gz CRRUBLGZZXEVKI-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000386819600 434312254 /nfs/dbraw/zinc/31/22/54/434312254.db2.gz FYLCOJKJVKZWCB-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCOC1 ZINC000386819600 434312262 /nfs/dbraw/zinc/31/22/62/434312262.db2.gz FYLCOJKJVKZWCB-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423249013 434314127 /nfs/dbraw/zinc/31/41/27/434314127.db2.gz SMVIUQSAOGUIKT-XJKSGUPXSA-N 2 2 300.402 3.054 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C2CC2)c1 ZINC000423252294 434315193 /nfs/dbraw/zinc/31/51/93/434315193.db2.gz XJUDRWRKQBGFTR-VQTJNVASSA-N 2 2 310.441 3.306 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955322 434319174 /nfs/dbraw/zinc/31/91/74/434319174.db2.gz YEZSCMKCIONCHZ-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955322 434319181 /nfs/dbraw/zinc/31/91/81/434319181.db2.gz YEZSCMKCIONCHZ-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1O ZINC000423275624 434334191 /nfs/dbraw/zinc/33/41/91/434334191.db2.gz LZYKVMPCVSXFBI-CQSZACIVSA-N 2 2 306.450 3.364 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423260353 434320230 /nfs/dbraw/zinc/32/02/30/434320230.db2.gz HCZXMULHPTVBIB-WFASDCNBSA-N 2 2 315.383 3.441 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312735 434322214 /nfs/dbraw/zinc/32/22/14/434322214.db2.gz BOSNCIXYLFNNCL-RBUKOAKNSA-N 3 2 315.505 3.148 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000387312735 434322221 /nfs/dbraw/zinc/32/22/21/434322221.db2.gz BOSNCIXYLFNNCL-RBUKOAKNSA-N 3 2 315.505 3.148 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000388065739 434324596 /nfs/dbraw/zinc/32/45/96/434324596.db2.gz QTVCTJSMUIQWPM-OKYOBFRVSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423277589 434331955 /nfs/dbraw/zinc/33/19/55/434331955.db2.gz QAGKBGKGEVONCF-WSTZPKSXSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423277589 434331966 /nfs/dbraw/zinc/33/19/66/434331966.db2.gz QAGKBGKGEVONCF-WSTZPKSXSA-N 3 2 315.505 3.019 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000358002631 434277836 /nfs/dbraw/zinc/27/78/36/434277836.db2.gz HTRSUCXEFXRQCE-GRDNDAEWSA-N 2 2 318.461 3.227 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000358002631 434277841 /nfs/dbraw/zinc/27/78/41/434277841.db2.gz HTRSUCXEFXRQCE-GRDNDAEWSA-N 2 2 318.461 3.227 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423322586 434361813 /nfs/dbraw/zinc/36/18/13/434361813.db2.gz IXOHWBDFDZYTGG-MLGOLLRUSA-N 2 2 319.246 3.475 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000423330719 434362835 /nfs/dbraw/zinc/36/28/35/434362835.db2.gz MATWCGNSMNHMQB-AWEZNQCLSA-N 2 2 312.413 3.473 20 0 DGADLP CC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390546365 434363090 /nfs/dbraw/zinc/36/30/90/434363090.db2.gz ISQKZYDZHDWUBC-UUKMXZOPSA-N 2 2 316.489 3.446 20 0 DGADLP CC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390546365 434363099 /nfs/dbraw/zinc/36/30/99/434363099.db2.gz ISQKZYDZHDWUBC-UUKMXZOPSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000358173515 434364229 /nfs/dbraw/zinc/36/42/29/434364229.db2.gz VJZIOGHSKQFHFW-CXAGYDPISA-N 2 2 308.853 3.028 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000366229258 434365330 /nfs/dbraw/zinc/36/53/30/434365330.db2.gz HRWQCZIEBFLZKS-HNAYVOBHSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000366229258 434365342 /nfs/dbraw/zinc/36/53/42/434365342.db2.gz HRWQCZIEBFLZKS-HNAYVOBHSA-N 2 2 307.441 3.463 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC000366230188 434365996 /nfs/dbraw/zinc/36/59/96/434365996.db2.gz CAYBSUFPCQGNKM-CFVMTHIKSA-N 2 2 324.465 3.061 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000423332429 434366206 /nfs/dbraw/zinc/36/62/06/434366206.db2.gz VDZKJLYBCRWZQV-CQSZACIVSA-N 2 2 304.459 3.302 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000358173517 434367192 /nfs/dbraw/zinc/36/71/92/434367192.db2.gz VJZIOGHSKQFHFW-GUYCJALGSA-N 2 2 308.853 3.028 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000287459607 434367827 /nfs/dbraw/zinc/36/78/27/434367827.db2.gz VQVICLTYBUUYSI-LZQZEXGQSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3c2cnn3C)CC[N@H+]1Cc1ccccc1 ZINC000287459607 434367834 /nfs/dbraw/zinc/36/78/34/434367834.db2.gz VQVICLTYBUUYSI-LZQZEXGQSA-N 2 2 324.472 3.050 20 0 DGADLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1ccc(Cl)c(Cl)c1 ZINC000423334599 434370463 /nfs/dbraw/zinc/37/04/63/434370463.db2.gz WTXKFXRYHLFQIM-AWEZNQCLSA-N 2 2 305.249 3.270 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358180047 434371789 /nfs/dbraw/zinc/37/17/89/434371789.db2.gz SEEBZMBUGCEINO-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358180047 434371798 /nfs/dbraw/zinc/37/17/98/434371798.db2.gz SEEBZMBUGCEINO-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000366251065 434373137 /nfs/dbraw/zinc/37/31/37/434373137.db2.gz VBDRXGRUBCVXIP-PXNSSMCTSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000366251065 434373144 /nfs/dbraw/zinc/37/31/44/434373144.db2.gz VBDRXGRUBCVXIP-PXNSSMCTSA-N 2 2 309.457 3.358 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(SCCOC)cc2)C1 ZINC000358119920 434338143 /nfs/dbraw/zinc/33/81/43/434338143.db2.gz CLNGETPJOVLJOK-HDMKZQKVSA-N 2 2 322.518 3.416 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(SCCOC)cc2)C1 ZINC000358119920 434338153 /nfs/dbraw/zinc/33/81/53/434338153.db2.gz CLNGETPJOVLJOK-HDMKZQKVSA-N 2 2 322.518 3.416 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423281600 434338442 /nfs/dbraw/zinc/33/84/42/434338442.db2.gz VEVCLWBKSSOGSI-TVQRCGJNSA-N 2 2 303.219 3.222 20 0 DGADLP CC(C)CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccoc1 ZINC000353688089 434338918 /nfs/dbraw/zinc/33/89/18/434338918.db2.gz OBUZAGAFQRZUTH-SFHVURJKSA-N 2 2 308.466 3.193 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358122507 434341847 /nfs/dbraw/zinc/34/18/47/434341847.db2.gz FURJSYCDNIDQSO-BVGQSLNGSA-N 2 2 300.446 3.145 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358122507 434341853 /nfs/dbraw/zinc/34/18/53/434341853.db2.gz FURJSYCDNIDQSO-BVGQSLNGSA-N 2 2 300.446 3.145 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000450689423 434342375 /nfs/dbraw/zinc/34/23/75/434342375.db2.gz XWWWOLCANJKRLL-NWDGAFQWSA-N 2 2 313.430 3.444 20 0 DGADLP CCCC[C@H](C[NH3+])N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000423293667 434344155 /nfs/dbraw/zinc/34/41/55/434344155.db2.gz ANLZAJDGZHFSNZ-CVEARBPZSA-N 2 2 320.868 3.270 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423287783 434344871 /nfs/dbraw/zinc/34/48/71/434344871.db2.gz ONAVQCHKXZMZGL-CQSZACIVSA-N 3 2 300.450 3.349 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000450689425 434345462 /nfs/dbraw/zinc/34/54/62/434345462.db2.gz XWWWOLCANJKRLL-VXGBXAGGSA-N 2 2 313.430 3.444 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423137658 294744651 /nfs/dbraw/zinc/74/46/51/294744651.db2.gz WREKXWUBJAEPIH-AEAUEXCSSA-N 2 2 322.399 3.299 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000366162672 434347814 /nfs/dbraw/zinc/34/78/14/434347814.db2.gz IBEFTCWCOLRPQD-HKUYNNGSSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162672 434347823 /nfs/dbraw/zinc/34/78/23/434347823.db2.gz IBEFTCWCOLRPQD-HKUYNNGSSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000366162672 434347833 /nfs/dbraw/zinc/34/78/33/434347833.db2.gz IBEFTCWCOLRPQD-HKUYNNGSSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000366162672 434347843 /nfs/dbraw/zinc/34/78/43/434347843.db2.gz IBEFTCWCOLRPQD-HKUYNNGSSA-N 2 2 302.462 3.243 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423297921 434349621 /nfs/dbraw/zinc/34/96/21/434349621.db2.gz MLTGNZRHCSVRDS-YPMHNXCESA-N 2 2 308.857 3.395 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389850176 434350022 /nfs/dbraw/zinc/35/00/22/434350022.db2.gz UQOFIXFPGCZVOV-CBGDNZLLSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389850176 434350033 /nfs/dbraw/zinc/35/00/33/434350033.db2.gz UQOFIXFPGCZVOV-CBGDNZLLSA-N 2 2 324.468 3.433 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423300585 434351251 /nfs/dbraw/zinc/35/12/51/434351251.db2.gz RYRQFPNCLLDDGM-BBRMVZONSA-N 2 2 318.440 3.488 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423308711 434353419 /nfs/dbraw/zinc/35/34/19/434353419.db2.gz JUPSGXUTTRSZEI-JTQLQIEISA-N 2 2 303.219 3.238 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000389851834 434353642 /nfs/dbraw/zinc/35/36/42/434353642.db2.gz WJZUCOUEGYXFNG-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000389851834 434353648 /nfs/dbraw/zinc/35/36/48/434353648.db2.gz WJZUCOUEGYXFNG-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1ccc2cc(OC)ccc2c1 ZINC000423314390 434354644 /nfs/dbraw/zinc/35/46/44/434354644.db2.gz GYFXONANRVOPJH-LJQANCHMSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322852 434355019 /nfs/dbraw/zinc/35/50/19/434355019.db2.gz NHPDFAMKAMRIRB-BQJWPVKWSA-N 2 2 322.518 3.329 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322852 434355028 /nfs/dbraw/zinc/35/50/28/434355028.db2.gz NHPDFAMKAMRIRB-BQJWPVKWSA-N 2 2 322.518 3.329 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322851 434355141 /nfs/dbraw/zinc/35/51/41/434355141.db2.gz NHPDFAMKAMRIRB-BPKGMFCQSA-N 2 2 322.518 3.329 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322851 434355147 /nfs/dbraw/zinc/35/51/47/434355147.db2.gz NHPDFAMKAMRIRB-BPKGMFCQSA-N 2 2 322.518 3.329 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423314423 434355626 /nfs/dbraw/zinc/35/56/26/434355626.db2.gz HCTRHGFQHHYGNH-APPDUMDISA-N 2 2 318.852 3.222 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000287423287 434358004 /nfs/dbraw/zinc/35/80/04/434358004.db2.gz SLGHQJUQYRUWDL-TXPKVOOTSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000287423287 434358016 /nfs/dbraw/zinc/35/80/16/434358016.db2.gz SLGHQJUQYRUWDL-TXPKVOOTSA-N 2 2 312.461 3.217 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000358155639 434358249 /nfs/dbraw/zinc/35/82/49/434358249.db2.gz MGYZRBNTODNYMA-NUJGCVRESA-N 2 2 302.462 3.244 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000348504893 434360034 /nfs/dbraw/zinc/36/00/34/434360034.db2.gz CZZIJVYWSVWOOX-MRXNPFEDSA-N 2 2 320.440 3.457 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000423323436 434360214 /nfs/dbraw/zinc/36/02/14/434360214.db2.gz HIZZWOQBSSXROR-PCCBWWKXSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423322593 434360917 /nfs/dbraw/zinc/36/09/17/434360917.db2.gz IYWFAUHICQULOA-WBMJQRKESA-N 2 2 306.356 3.314 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H](C)[NH3+] ZINC000423377660 434392767 /nfs/dbraw/zinc/39/27/67/434392767.db2.gz VZHUOQZMNQEHHZ-BZNIZROVSA-N 2 2 314.433 3.388 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423375197 434392792 /nfs/dbraw/zinc/39/27/92/434392792.db2.gz CYDKEDQNAYOYID-GUYCJALGSA-N 2 2 303.450 3.074 20 0 DGADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000423374307 434393164 /nfs/dbraw/zinc/39/31/64/434393164.db2.gz SSEKWJSMWYVACX-INIZCTEOSA-N 2 2 312.417 3.313 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749232 434396483 /nfs/dbraw/zinc/39/64/83/434396483.db2.gz VDULXAZEVXTDQC-VQIMIIECSA-N 3 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749232 434396492 /nfs/dbraw/zinc/39/64/92/434396492.db2.gz VDULXAZEVXTDQC-VQIMIIECSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749232 434396500 /nfs/dbraw/zinc/39/65/00/434396500.db2.gz VDULXAZEVXTDQC-VQIMIIECSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000353749232 434396511 /nfs/dbraw/zinc/39/65/11/434396511.db2.gz VDULXAZEVXTDQC-VQIMIIECSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423381546 434398427 /nfs/dbraw/zinc/39/84/27/434398427.db2.gz NQYMMNYUCHHNPB-CVEARBPZSA-N 2 2 314.477 3.446 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cccn2)cc1 ZINC000423392826 434399720 /nfs/dbraw/zinc/39/97/20/434399720.db2.gz QSGQIQQVKAIFDF-CRAIPNDOSA-N 2 2 312.461 3.301 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000394704833 434406142 /nfs/dbraw/zinc/40/61/42/434406142.db2.gz KJQQIZQGMVRTLY-QGZVFWFLSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394704833 434406148 /nfs/dbraw/zinc/40/61/48/434406148.db2.gz KJQQIZQGMVRTLY-QGZVFWFLSA-N 2 2 315.486 3.453 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CCC[NH2+]1 ZINC000423408704 434410047 /nfs/dbraw/zinc/41/00/47/434410047.db2.gz AWGZSOPWFVYFLH-RTWAWAEBSA-N 2 2 324.468 3.443 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423413827 434412032 /nfs/dbraw/zinc/41/20/32/434412032.db2.gz BBGPPPIAZYHWOI-MTFMMBMASA-N 2 2 314.473 3.058 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117628 434414530 /nfs/dbraw/zinc/41/45/30/434414530.db2.gz OZLNNHBRFITWRZ-XJKSGUPXSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117628 434414538 /nfs/dbraw/zinc/41/45/38/434414538.db2.gz OZLNNHBRFITWRZ-XJKSGUPXSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117628 434414545 /nfs/dbraw/zinc/41/45/45/434414545.db2.gz OZLNNHBRFITWRZ-XJKSGUPXSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117628 434414551 /nfs/dbraw/zinc/41/45/51/434414551.db2.gz OZLNNHBRFITWRZ-XJKSGUPXSA-N 2 2 316.474 3.054 20 0 DGADLP Fc1cccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(Cl)c2)c1 ZINC000423424137 434416539 /nfs/dbraw/zinc/41/65/39/434416539.db2.gz FIEKCBWKLRHGDM-XDNAFOTISA-N 2 2 316.807 3.376 20 0 DGADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc21 ZINC000438123108 434418944 /nfs/dbraw/zinc/41/89/44/434418944.db2.gz XJNHAGUHWZPSSH-CQSZACIVSA-N 2 2 301.409 3.225 20 0 DGADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc21 ZINC000438123108 434418956 /nfs/dbraw/zinc/41/89/56/434418956.db2.gz XJNHAGUHWZPSSH-CQSZACIVSA-N 2 2 301.409 3.225 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000395887137 434422955 /nfs/dbraw/zinc/42/29/55/434422955.db2.gz JONVUHUHUNHDMR-RYRKJORJSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395887137 434422961 /nfs/dbraw/zinc/42/29/61/434422961.db2.gz JONVUHUHUNHDMR-RYRKJORJSA-N 2 2 310.445 3.038 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423445787 434428761 /nfs/dbraw/zinc/42/87/61/434428761.db2.gz YQDGPIHNBKCOBB-VLIAUNLRSA-N 2 2 323.440 3.183 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)cc1 ZINC000423446723 434429545 /nfs/dbraw/zinc/42/95/45/434429545.db2.gz YYCCCRFNPBOCMH-XDNAFOTISA-N 2 2 316.807 3.376 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000397259210 434430005 /nfs/dbraw/zinc/43/00/05/434430005.db2.gz GPEQJEPWKINBGJ-SCVCMEIPSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(Br)c2)C[C@@H]1C[NH3+] ZINC000397259210 434430016 /nfs/dbraw/zinc/43/00/16/434430016.db2.gz GPEQJEPWKINBGJ-SCVCMEIPSA-N 2 2 317.296 3.316 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCSC1 ZINC000438181296 434430824 /nfs/dbraw/zinc/43/08/24/434430824.db2.gz UXSKYMPVBGSNRZ-XQQFMLRXSA-N 2 2 310.429 3.134 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000397406097 434435039 /nfs/dbraw/zinc/43/50/39/434435039.db2.gz OTDBACBWTVXEGG-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000397406097 434435049 /nfs/dbraw/zinc/43/50/49/434435049.db2.gz OTDBACBWTVXEGG-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C[NH3+] ZINC000397406095 434437568 /nfs/dbraw/zinc/43/75/68/434437568.db2.gz OTDBACBWTVXEGG-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C[NH3+] ZINC000397406095 434437580 /nfs/dbraw/zinc/43/75/80/434437580.db2.gz OTDBACBWTVXEGG-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423475746 434439513 /nfs/dbraw/zinc/43/95/13/434439513.db2.gz RYXUXLGZZLECKX-SWLSCSKDSA-N 2 2 303.475 3.430 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423497214 434458543 /nfs/dbraw/zinc/45/85/43/434458543.db2.gz GFXSWUGHMBHPCK-DYVFJYSZSA-N 2 2 312.413 3.328 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1F ZINC000423505893 434463774 /nfs/dbraw/zinc/46/37/74/434463774.db2.gz HNSQZLZILABWJY-QANKJYHBSA-N 2 2 314.404 3.241 20 0 DGADLP CCSCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000360001693 434469567 /nfs/dbraw/zinc/46/95/67/434469567.db2.gz WHWBOVWNQGDIDV-RDJZCZTQSA-N 2 2 307.507 3.025 20 0 DGADLP CCSCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000360001693 434469577 /nfs/dbraw/zinc/46/95/77/434469577.db2.gz WHWBOVWNQGDIDV-RDJZCZTQSA-N 2 2 307.507 3.025 20 0 DGADLP CCSCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000360001691 434470041 /nfs/dbraw/zinc/47/00/41/434470041.db2.gz WHWBOVWNQGDIDV-DOTOQJQBSA-N 2 2 307.507 3.025 20 0 DGADLP CCSCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000360001691 434470050 /nfs/dbraw/zinc/47/00/50/434470050.db2.gz WHWBOVWNQGDIDV-DOTOQJQBSA-N 2 2 307.507 3.025 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(SC2CCCC2)cc1 ZINC000423516193 434472832 /nfs/dbraw/zinc/47/28/32/434472832.db2.gz GHPPFGOWDIIRHZ-GOEBONIOSA-N 2 2 320.502 3.360 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423522190 434475123 /nfs/dbraw/zinc/47/51/23/434475123.db2.gz RJNCDYKNIHDHCM-PWSUYJOCSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Cl ZINC000423525990 434476302 /nfs/dbraw/zinc/47/63/02/434476302.db2.gz USOXESZHCSILNK-MNOVXSKESA-N 2 2 303.233 3.023 20 0 DGADLP C[C@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296014304 434479742 /nfs/dbraw/zinc/47/97/42/434479742.db2.gz LVBFZFOPBBYXPE-WFASDCNBSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000360035960 434486552 /nfs/dbraw/zinc/48/65/52/434486552.db2.gz DDPRJOBXNPONCV-IPELMVKDSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000360035960 434486558 /nfs/dbraw/zinc/48/65/58/434486558.db2.gz DDPRJOBXNPONCV-IPELMVKDSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423554368 434487293 /nfs/dbraw/zinc/48/72/93/434487293.db2.gz HDMCWZRHCWUMNS-DLBZAZTESA-N 3 2 303.494 3.004 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000360035963 434488495 /nfs/dbraw/zinc/48/84/95/434488495.db2.gz DDPRJOBXNPONCV-ZYSHUDEJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000360035963 434488501 /nfs/dbraw/zinc/48/85/01/434488501.db2.gz DDPRJOBXNPONCV-ZYSHUDEJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000400745141 434491084 /nfs/dbraw/zinc/49/10/84/434491084.db2.gz UKECPWJMNIEFEU-UZLBHIALSA-N 2 2 310.441 3.496 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000400745124 434492302 /nfs/dbraw/zinc/49/23/02/434492302.db2.gz UKECPWJMNIEFEU-OXQOHEQNSA-N 2 2 310.441 3.496 20 0 DGADLP COCCc1cc[nH+]c(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000353882856 434502369 /nfs/dbraw/zinc/50/23/69/434502369.db2.gz RJFWWMREKRKUEY-QGZVFWFLSA-N 2 2 308.385 3.195 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000398026198 434450824 /nfs/dbraw/zinc/45/08/24/434450824.db2.gz LZLYYIIFKBIYTD-OQIJWPOYSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000398026198 434450835 /nfs/dbraw/zinc/45/08/35/434450835.db2.gz LZLYYIIFKBIYTD-OQIJWPOYSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000423487868 434451894 /nfs/dbraw/zinc/45/18/94/434451894.db2.gz XZBMNEICXOKWQC-OXQOHEQNSA-N 2 2 309.457 3.330 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000423487868 434451905 /nfs/dbraw/zinc/45/19/05/434451905.db2.gz XZBMNEICXOKWQC-OXQOHEQNSA-N 2 2 309.457 3.330 20 0 DGADLP C[C@H](c1csnn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450874894 434453936 /nfs/dbraw/zinc/45/39/36/434453936.db2.gz HGROMXTWOFEPOW-GFCCVEGCSA-N 2 2 317.462 3.012 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398126703 434456987 /nfs/dbraw/zinc/45/69/87/434456987.db2.gz RQLZIFDMDSVBRB-QYZOEREBSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398126703 434456991 /nfs/dbraw/zinc/45/69/91/434456991.db2.gz RQLZIFDMDSVBRB-QYZOEREBSA-N 3 2 303.494 3.003 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404390812 434510328 /nfs/dbraw/zinc/51/03/28/434510328.db2.gz XYOJTIYUICVGTI-LRDDRELGSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404390812 434510332 /nfs/dbraw/zinc/51/03/32/434510332.db2.gz XYOJTIYUICVGTI-LRDDRELGSA-N 2 2 323.868 3.036 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc2c[nH]nc21 ZINC000348817895 434510349 /nfs/dbraw/zinc/51/03/49/434510349.db2.gz QXCITXBWJVFTSD-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc2c[nH]nc21 ZINC000348817895 434510353 /nfs/dbraw/zinc/51/03/53/434510353.db2.gz QXCITXBWJVFTSD-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cccc2c[nH]nc21)Cc1ccco1 ZINC000348817895 434510365 /nfs/dbraw/zinc/51/03/65/434510365.db2.gz QXCITXBWJVFTSD-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cccc2c[nH]nc21)Cc1ccco1 ZINC000348817895 434510374 /nfs/dbraw/zinc/51/03/74/434510374.db2.gz QXCITXBWJVFTSD-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404322325 434511444 /nfs/dbraw/zinc/51/14/44/434511444.db2.gz RPWYKITXSGMWKX-RDTXWAMCSA-N 2 2 318.461 3.237 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404322325 434511448 /nfs/dbraw/zinc/51/14/48/434511448.db2.gz RPWYKITXSGMWKX-RDTXWAMCSA-N 2 2 318.461 3.237 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473908 434515493 /nfs/dbraw/zinc/51/54/93/434515493.db2.gz UPEGDSFNAAAIGK-KDOFPFPSSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473908 434515500 /nfs/dbraw/zinc/51/55/00/434515500.db2.gz UPEGDSFNAAAIGK-KDOFPFPSSA-N 2 2 315.486 3.452 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[NH+]1CCCCCC1 ZINC000360118906 434525602 /nfs/dbraw/zinc/52/56/02/434525602.db2.gz LMQXDTAEIWSQNG-AWEZNQCLSA-N 2 2 312.417 3.280 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360140513 434527976 /nfs/dbraw/zinc/52/79/76/434527976.db2.gz OXQHJMSPELJAAO-JXFKEZNVSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360140513 434527985 /nfs/dbraw/zinc/52/79/85/434527985.db2.gz OXQHJMSPELJAAO-JXFKEZNVSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](C)CC34CCCCC4)n21 ZINC000353924878 434527992 /nfs/dbraw/zinc/52/79/92/434527992.db2.gz LRAHGWRDWHEQJI-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](C)CC34CCCCC4)n21 ZINC000353924878 434527999 /nfs/dbraw/zinc/52/79/99/434527999.db2.gz LRAHGWRDWHEQJI-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@H]2CCC[NH2+]CC2)[nH+]1 ZINC000423782322 434532288 /nfs/dbraw/zinc/53/22/88/434532288.db2.gz ZAUCMNUIWXYXIT-AWEZNQCLSA-N 2 2 312.417 3.103 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000353927982 434532322 /nfs/dbraw/zinc/53/23/22/434532322.db2.gz KDXHWVPQXPWIMU-FQEVSTJZSA-N 2 2 311.473 3.085 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000353935051 434535867 /nfs/dbraw/zinc/53/58/67/434535867.db2.gz UKIMKNOBTBOWSO-AWEZNQCLSA-N 2 2 324.490 3.064 20 0 DGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353944637 434538234 /nfs/dbraw/zinc/53/82/34/434538234.db2.gz KXYZWSBWKUJHKN-MOPGFXCFSA-N 2 2 313.445 3.226 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(Br)ccc2C)C1 ZINC000438905616 434541936 /nfs/dbraw/zinc/54/19/36/434541936.db2.gz RCLFMGPVEPFZJS-DOMZBBRYSA-N 2 2 311.267 3.187 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(Br)ccc2C)C1 ZINC000438905616 434541940 /nfs/dbraw/zinc/54/19/40/434541940.db2.gz RCLFMGPVEPFZJS-DOMZBBRYSA-N 2 2 311.267 3.187 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c2c(C)cccn12 ZINC000360205530 434547840 /nfs/dbraw/zinc/54/78/40/434547840.db2.gz VOQMAXFBTIVLIM-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)oc2cc1C ZINC000360244026 434558209 /nfs/dbraw/zinc/55/82/09/434558209.db2.gz YQOMAIWKCMWYIT-WBVHZDCISA-N 2 2 316.445 3.157 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272020 295008214 /nfs/dbraw/zinc/00/82/14/295008214.db2.gz NHSDODSJSXDZPO-CQSZACIVSA-N 2 2 324.852 3.375 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272020 295008216 /nfs/dbraw/zinc/00/82/16/295008216.db2.gz NHSDODSJSXDZPO-CQSZACIVSA-N 2 2 324.852 3.375 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272020 295008219 /nfs/dbraw/zinc/00/82/19/295008219.db2.gz NHSDODSJSXDZPO-CQSZACIVSA-N 2 2 324.852 3.375 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272020 295008222 /nfs/dbraw/zinc/00/82/22/295008222.db2.gz NHSDODSJSXDZPO-CQSZACIVSA-N 2 2 324.852 3.375 20 0 DGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000439074096 434562513 /nfs/dbraw/zinc/56/25/13/434562513.db2.gz DLVDFRANPDYCSI-CQSZACIVSA-N 2 2 321.465 3.035 20 0 DGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000439074096 434562518 /nfs/dbraw/zinc/56/25/18/434562518.db2.gz DLVDFRANPDYCSI-CQSZACIVSA-N 2 2 321.465 3.035 20 0 DGADLP CCn1cncc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000418029329 434568255 /nfs/dbraw/zinc/56/82/55/434568255.db2.gz LLRRFGYVNBWXGM-UHFFFAOYSA-N 2 2 323.444 3.398 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000527098605 295077454 /nfs/dbraw/zinc/07/74/54/295077454.db2.gz UQBDXSNNLZXNGY-MJGOQNOKSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000527098605 295077456 /nfs/dbraw/zinc/07/74/56/295077456.db2.gz UQBDXSNNLZXNGY-MJGOQNOKSA-N 2 2 304.478 3.159 20 0 DGADLP COC[C@@H](C)C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111526 295078941 /nfs/dbraw/zinc/07/89/41/295078941.db2.gz WGABZATVZHSUKJ-QFBILLFUSA-N 2 2 318.505 3.332 20 0 DGADLP COC[C@@H](C)C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111526 295078942 /nfs/dbraw/zinc/07/89/42/295078942.db2.gz WGABZATVZHSUKJ-QFBILLFUSA-N 2 2 318.505 3.332 20 0 DGADLP Fc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527349766 295093573 /nfs/dbraw/zinc/09/35/73/295093573.db2.gz SVUWDFQMZBSFTQ-QGZVFWFLSA-N 2 2 304.409 3.113 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535286 295102195 /nfs/dbraw/zinc/10/21/95/295102195.db2.gz REWUBSXJEDJMIT-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535286 295102198 /nfs/dbraw/zinc/10/21/98/295102198.db2.gz REWUBSXJEDJMIT-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535286 295102199 /nfs/dbraw/zinc/10/21/99/295102199.db2.gz REWUBSXJEDJMIT-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535286 295102201 /nfs/dbraw/zinc/10/22/01/295102201.db2.gz REWUBSXJEDJMIT-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Oc1cc[nH+]cc1 ZINC000423900274 434571470 /nfs/dbraw/zinc/57/14/70/434571470.db2.gz HVGIFDDFNCIRRE-KGLIPLIRSA-N 2 2 311.385 3.248 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527646718 295109090 /nfs/dbraw/zinc/10/90/90/295109090.db2.gz XFWGJGZTYPEWFJ-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527646718 295109091 /nfs/dbraw/zinc/10/90/91/295109091.db2.gz XFWGJGZTYPEWFJ-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527650154 295110179 /nfs/dbraw/zinc/11/01/79/295110179.db2.gz TYQMZMSRFNLHQV-LLVKDONJSA-N 2 2 302.796 3.438 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527650154 295110181 /nfs/dbraw/zinc/11/01/81/295110181.db2.gz TYQMZMSRFNLHQV-LLVKDONJSA-N 2 2 302.796 3.438 20 0 DGADLP OCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527655866 295111147 /nfs/dbraw/zinc/11/11/47/295111147.db2.gz SXRCYVXZMLOYFA-AQNXPRMDSA-N 2 2 316.489 3.149 20 0 DGADLP OCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527655866 295111148 /nfs/dbraw/zinc/11/11/48/295111148.db2.gz SXRCYVXZMLOYFA-AQNXPRMDSA-N 2 2 316.489 3.149 20 0 DGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527753198 295125587 /nfs/dbraw/zinc/12/55/87/295125587.db2.gz QXIZLZJRDGHWQE-YUELXQCFSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527753198 295125588 /nfs/dbraw/zinc/12/55/88/295125588.db2.gz QXIZLZJRDGHWQE-YUELXQCFSA-N 2 2 320.399 3.093 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000527798634 295132110 /nfs/dbraw/zinc/13/21/10/295132110.db2.gz GTSXMXRAUSQUTP-IUODEOHRSA-N 2 2 315.436 3.373 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000527798634 295132113 /nfs/dbraw/zinc/13/21/13/295132113.db2.gz GTSXMXRAUSQUTP-IUODEOHRSA-N 2 2 315.436 3.373 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C(C)C)c1 ZINC000527905810 295148359 /nfs/dbraw/zinc/14/83/59/295148359.db2.gz VWMRCQUFGNKACY-OALUTQOASA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C(C)C)c1 ZINC000527905810 295148361 /nfs/dbraw/zinc/14/83/61/295148361.db2.gz VWMRCQUFGNKACY-OALUTQOASA-N 2 2 304.478 3.129 20 0 DGADLP C[NH+](C)CCCOC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527917145 295149873 /nfs/dbraw/zinc/14/98/73/295149873.db2.gz WBXJHVFMLKKGOV-UHFFFAOYSA-N 2 2 313.445 3.172 20 0 DGADLP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952048 295156030 /nfs/dbraw/zinc/15/60/30/295156030.db2.gz STNNCHVLIBWFIT-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952048 295156034 /nfs/dbraw/zinc/15/60/34/295156034.db2.gz STNNCHVLIBWFIT-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP C/C(Cl)=C\C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528483937 295218224 /nfs/dbraw/zinc/21/82/24/295218224.db2.gz IPECCMVEFAZYCI-NQADCFBISA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C\C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528483937 295218226 /nfs/dbraw/zinc/21/82/26/295218226.db2.gz IPECCMVEFAZYCI-NQADCFBISA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C\C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483937 295218229 /nfs/dbraw/zinc/21/82/29/295218229.db2.gz IPECCMVEFAZYCI-NQADCFBISA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C\C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483937 295218231 /nfs/dbraw/zinc/21/82/31/295218231.db2.gz IPECCMVEFAZYCI-NQADCFBISA-N 2 2 313.898 3.348 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591667 295229387 /nfs/dbraw/zinc/22/93/87/295229387.db2.gz IKKLGILASNTIRF-MRXNPFEDSA-N 2 2 316.493 3.007 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591667 295229391 /nfs/dbraw/zinc/22/93/91/295229391.db2.gz IKKLGILASNTIRF-MRXNPFEDSA-N 2 2 316.493 3.007 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591667 295229393 /nfs/dbraw/zinc/22/93/93/295229393.db2.gz IKKLGILASNTIRF-MRXNPFEDSA-N 2 2 316.493 3.007 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591667 295229394 /nfs/dbraw/zinc/22/93/94/295229394.db2.gz IKKLGILASNTIRF-MRXNPFEDSA-N 2 2 316.493 3.007 20 0 DGADLP Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)nc(C(C)C)[nH+]1 ZINC000360351131 434585560 /nfs/dbraw/zinc/58/55/60/434585560.db2.gz FKFPUPKBIPRPNQ-UHFFFAOYSA-N 2 2 307.401 3.128 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000493736397 295365981 /nfs/dbraw/zinc/36/59/81/295365981.db2.gz OBCLZNRXDQXDCC-ZYSHUDEJSA-N 2 2 316.489 3.335 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000493736397 295365983 /nfs/dbraw/zinc/36/59/83/295365983.db2.gz OBCLZNRXDQXDCC-ZYSHUDEJSA-N 2 2 316.489 3.335 20 0 DGADLP Cc1ccc(CCCNc2ccc(N3CCCCC3)c[nH+]2)c[nH+]1 ZINC000354133715 434637205 /nfs/dbraw/zinc/63/72/05/434637205.db2.gz JCSVRGFYWHPYKV-UHFFFAOYSA-N 2 2 310.445 3.820 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148310 434640904 /nfs/dbraw/zinc/64/09/04/434640904.db2.gz XLHCYJHBHYJTFT-LSDHHAIUSA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148310 434640911 /nfs/dbraw/zinc/64/09/11/434640911.db2.gz XLHCYJHBHYJTFT-LSDHHAIUSA-N 2 2 320.477 3.270 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447849 434601583 /nfs/dbraw/zinc/60/15/83/434601583.db2.gz RSTXYWKTTFMHCV-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447849 434601588 /nfs/dbraw/zinc/60/15/88/434601588.db2.gz RSTXYWKTTFMHCV-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP CC(C)[C@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000360427326 434602874 /nfs/dbraw/zinc/60/28/74/434602874.db2.gz JRIAGROBYHAESM-IBGZPJMESA-N 2 2 317.521 3.219 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167154 434650993 /nfs/dbraw/zinc/65/09/93/434650993.db2.gz OHOJQGZQTBHJLF-VEXQSBSHSA-N 2 2 306.400 3.396 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167154 434651004 /nfs/dbraw/zinc/65/10/04/434651004.db2.gz OHOJQGZQTBHJLF-VEXQSBSHSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167154 434651013 /nfs/dbraw/zinc/65/10/13/434651013.db2.gz OHOJQGZQTBHJLF-VEXQSBSHSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167154 434651016 /nfs/dbraw/zinc/65/10/16/434651016.db2.gz OHOJQGZQTBHJLF-VEXQSBSHSA-N 2 2 306.400 3.396 20 0 DGADLP Cc1cc(NCc2ccc(N(C)C)[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000360675197 434664118 /nfs/dbraw/zinc/66/41/18/434664118.db2.gz JAWLNSLBJLLYFP-UHFFFAOYSA-N 2 2 310.376 3.177 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000349318657 434671211 /nfs/dbraw/zinc/67/12/11/434671211.db2.gz CDMYSQQJTHCHOM-MJGOQNOKSA-N 2 2 316.489 3.381 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223933 434677513 /nfs/dbraw/zinc/67/75/13/434677513.db2.gz MAUWRAICXQVXMB-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223933 434677521 /nfs/dbraw/zinc/67/75/21/434677521.db2.gz MAUWRAICXQVXMB-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223933 434677529 /nfs/dbraw/zinc/67/75/29/434677529.db2.gz MAUWRAICXQVXMB-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223933 434677537 /nfs/dbraw/zinc/67/75/37/434677537.db2.gz MAUWRAICXQVXMB-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C1 ZINC000459731978 434682052 /nfs/dbraw/zinc/68/20/52/434682052.db2.gz LQOBXTBFYVAAFF-GGPKGHCWSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C1 ZINC000459731978 434682062 /nfs/dbraw/zinc/68/20/62/434682062.db2.gz LQOBXTBFYVAAFF-GGPKGHCWSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459731978 434682066 /nfs/dbraw/zinc/68/20/66/434682066.db2.gz LQOBXTBFYVAAFF-GGPKGHCWSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459731978 434682076 /nfs/dbraw/zinc/68/20/76/434682076.db2.gz LQOBXTBFYVAAFF-GGPKGHCWSA-N 3 2 315.505 3.143 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OC(F)F ZINC000349346248 434684809 /nfs/dbraw/zinc/68/48/09/434684809.db2.gz JYUISJJGIIAWLN-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OC(F)F ZINC000349346248 434684814 /nfs/dbraw/zinc/68/48/14/434684814.db2.gz JYUISJJGIIAWLN-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000360974400 434749487 /nfs/dbraw/zinc/74/94/87/434749487.db2.gz NNKPBQRJVZAYMD-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000360974400 434749489 /nfs/dbraw/zinc/74/94/89/434749489.db2.gz NNKPBQRJVZAYMD-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000360974400 434749494 /nfs/dbraw/zinc/74/94/94/434749494.db2.gz NNKPBQRJVZAYMD-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000360974400 434749498 /nfs/dbraw/zinc/74/94/98/434749498.db2.gz NNKPBQRJVZAYMD-IEBWSBKVSA-N 2 2 301.478 3.476 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C(C)C ZINC000440828641 434750214 /nfs/dbraw/zinc/75/02/14/434750214.db2.gz HVRIGKBXIQTTMH-UHFFFAOYSA-N 2 2 306.376 3.027 20 0 DGADLP CC[C@H](C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC000419216684 434751300 /nfs/dbraw/zinc/75/13/00/434751300.db2.gz OHZYMFZQCZGIIV-QGZVFWFLSA-N 2 2 305.466 3.045 20 0 DGADLP CC[C@H](C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC000419216684 434751303 /nfs/dbraw/zinc/75/13/03/434751303.db2.gz OHZYMFZQCZGIIV-QGZVFWFLSA-N 2 2 305.466 3.045 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccc(F)cc1 ZINC000349409633 434704210 /nfs/dbraw/zinc/70/42/10/434704210.db2.gz SBMVKECDGNAHDL-UHFFFAOYSA-N 2 2 318.440 3.175 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccc(F)cc1 ZINC000349409633 434704218 /nfs/dbraw/zinc/70/42/18/434704218.db2.gz SBMVKECDGNAHDL-UHFFFAOYSA-N 2 2 318.440 3.175 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459768269 434710609 /nfs/dbraw/zinc/71/06/09/434710609.db2.gz QLRJKKYNTXXPGR-RBUKOAKNSA-N 2 2 302.462 3.196 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459768269 434710613 /nfs/dbraw/zinc/71/06/13/434710613.db2.gz QLRJKKYNTXXPGR-RBUKOAKNSA-N 2 2 302.462 3.196 20 0 DGADLP C[C@H]1C[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000371485119 434720259 /nfs/dbraw/zinc/72/02/59/434720259.db2.gz KPVRYIIWYLBUPY-RDJZCZTQSA-N 2 2 322.456 3.496 20 0 DGADLP C[C@H]1C[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000371485119 434720262 /nfs/dbraw/zinc/72/02/62/434720262.db2.gz KPVRYIIWYLBUPY-RDJZCZTQSA-N 2 2 322.456 3.496 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000354345902 434728563 /nfs/dbraw/zinc/72/85/63/434728563.db2.gz DWQQCYMQHBUPCU-IJEWVQPXSA-N 2 2 318.461 3.022 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000354345902 434728566 /nfs/dbraw/zinc/72/85/66/434728566.db2.gz DWQQCYMQHBUPCU-IJEWVQPXSA-N 2 2 318.461 3.022 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000354345903 434729925 /nfs/dbraw/zinc/72/99/25/434729925.db2.gz DWQQCYMQHBUPCU-YCPHGPKFSA-N 2 2 318.461 3.022 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000354345903 434729931 /nfs/dbraw/zinc/72/99/31/434729931.db2.gz DWQQCYMQHBUPCU-YCPHGPKFSA-N 2 2 318.461 3.022 20 0 DGADLP C[C@@H](CCNc1cc[nH+]c2ccncc12)[N@H+](C)Cc1ccccc1 ZINC000444078505 434783523 /nfs/dbraw/zinc/78/35/23/434783523.db2.gz WNAXIMLRMGJUII-INIZCTEOSA-N 2 2 320.440 3.374 20 0 DGADLP C[C@@H](CCNc1cc[nH+]c2ccncc12)[N@@H+](C)Cc1ccccc1 ZINC000444078505 434783527 /nfs/dbraw/zinc/78/35/27/434783527.db2.gz WNAXIMLRMGJUII-INIZCTEOSA-N 2 2 320.440 3.374 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076950 434791669 /nfs/dbraw/zinc/79/16/69/434791669.db2.gz WVZBQKDWIWDKTE-MNEFBYGVSA-N 2 2 312.461 3.296 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076950 434791676 /nfs/dbraw/zinc/79/16/76/434791676.db2.gz WVZBQKDWIWDKTE-MNEFBYGVSA-N 2 2 312.461 3.296 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)CCC2 ZINC000453128484 434809138 /nfs/dbraw/zinc/80/91/38/434809138.db2.gz WQAPKPFNVWFCOG-YJBOKZPZSA-N 2 2 312.461 3.465 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccncn2)cc1 ZINC000453125652 434810293 /nfs/dbraw/zinc/81/02/93/434810293.db2.gz JPOKWQYUURQDKM-UONOGXRCSA-N 2 2 307.401 3.383 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000453243064 434837869 /nfs/dbraw/zinc/83/78/69/434837869.db2.gz YFRUOBHJLMOOEB-WBMJQRKESA-N 2 2 305.809 3.183 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC000453262759 434843859 /nfs/dbraw/zinc/84/38/59/434843859.db2.gz STZOTGCRZZDBFD-QZTJIDSGSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC000453262759 434843861 /nfs/dbraw/zinc/84/38/61/434843861.db2.gz STZOTGCRZZDBFD-QZTJIDSGSA-N 2 2 304.478 3.109 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000453270204 434846014 /nfs/dbraw/zinc/84/60/14/434846014.db2.gz SBTJJYCXMYKCCP-MOPGFXCFSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000453270204 434846016 /nfs/dbraw/zinc/84/60/16/434846016.db2.gz SBTJJYCXMYKCCP-MOPGFXCFSA-N 2 2 304.478 3.137 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278628 434848166 /nfs/dbraw/zinc/84/81/66/434848166.db2.gz YZTNYPGIZXNFLY-HNAYVOBHSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278628 434848169 /nfs/dbraw/zinc/84/81/69/434848169.db2.gz YZTNYPGIZXNFLY-HNAYVOBHSA-N 2 2 302.462 3.061 20 0 DGADLP CCCC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453275711 434848599 /nfs/dbraw/zinc/84/85/99/434848599.db2.gz XDBUNBVDWHPNHP-MOPGFXCFSA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453275711 434848603 /nfs/dbraw/zinc/84/86/03/434848603.db2.gz XDBUNBVDWHPNHP-MOPGFXCFSA-N 2 2 304.478 3.354 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)n1C ZINC000573221625 434884157 /nfs/dbraw/zinc/88/41/57/434884157.db2.gz KBJDZEGJDKTWHN-OAHLLOKOSA-N 2 2 303.381 3.260 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101982 434874924 /nfs/dbraw/zinc/87/49/24/434874924.db2.gz QKPMCWFERJKEON-PWSUYJOCSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101982 434874929 /nfs/dbraw/zinc/87/49/29/434874929.db2.gz QKPMCWFERJKEON-PWSUYJOCSA-N 2 2 303.233 3.184 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907176 434937025 /nfs/dbraw/zinc/93/70/25/434937025.db2.gz QNNBEJLXPRXJOH-LSTHTHJFSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907176 434937030 /nfs/dbraw/zinc/93/70/30/434937030.db2.gz QNNBEJLXPRXJOH-LSTHTHJFSA-N 2 2 316.489 3.302 20 0 DGADLP COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638105799 434953688 /nfs/dbraw/zinc/95/36/88/434953688.db2.gz WIQNQTVTHSMYLT-MRXNPFEDSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cccc(OC)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638105799 434953689 /nfs/dbraw/zinc/95/36/89/434953689.db2.gz WIQNQTVTHSMYLT-MRXNPFEDSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555512008 434974624 /nfs/dbraw/zinc/97/46/24/434974624.db2.gz QUPONFBRYVWBSF-QZTJIDSGSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000555512008 434974627 /nfs/dbraw/zinc/97/46/27/434974627.db2.gz QUPONFBRYVWBSF-QZTJIDSGSA-N 2 2 308.510 3.247 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000573717991 434920638 /nfs/dbraw/zinc/92/06/38/434920638.db2.gz LIALUKJMLFLJBO-HNNXBMFYSA-N 2 2 300.406 3.180 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976288 434922657 /nfs/dbraw/zinc/92/26/57/434922657.db2.gz BBLSIBPVMPMBFX-JKSUJKDBSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976288 434922665 /nfs/dbraw/zinc/92/26/65/434922665.db2.gz BBLSIBPVMPMBFX-JKSUJKDBSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000637976288 434922669 /nfs/dbraw/zinc/92/26/69/434922669.db2.gz BBLSIBPVMPMBFX-JKSUJKDBSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000637976288 434922672 /nfs/dbraw/zinc/92/26/72/434922672.db2.gz BBLSIBPVMPMBFX-JKSUJKDBSA-N 2 2 319.468 3.494 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462839911 434934196 /nfs/dbraw/zinc/93/41/96/434934196.db2.gz OZSMIVXXVTYVHV-YTQUADARSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462839911 434934199 /nfs/dbraw/zinc/93/41/99/434934199.db2.gz OZSMIVXXVTYVHV-YTQUADARSA-N 2 2 304.478 3.158 20 0 DGADLP CO[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000638421792 435028013 /nfs/dbraw/zinc/02/80/13/435028013.db2.gz XLFSQHZCVPCDDN-IBGZPJMESA-N 2 2 321.424 3.220 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]CCC2CCOCC2)[NH+](C)C)cc1 ZINC000638287448 434998026 /nfs/dbraw/zinc/99/80/26/434998026.db2.gz DYGBFFNUYKFHSW-LJQANCHMSA-N 2 2 304.478 3.258 20 0 DGADLP CC(C)C[C@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)[NH+](C)C ZINC000638349777 435011062 /nfs/dbraw/zinc/01/10/62/435011062.db2.gz VMFCFACXTUCALQ-IEBWSBKVSA-N 2 2 303.494 3.079 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000638448490 435033431 /nfs/dbraw/zinc/03/34/31/435033431.db2.gz DHDLDTXVBATALC-IOJLRTSASA-N 2 2 324.472 3.231 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000638448490 435033434 /nfs/dbraw/zinc/03/34/34/435033434.db2.gz DHDLDTXVBATALC-IOJLRTSASA-N 2 2 324.472 3.231 20 0 DGADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638661109 435065283 /nfs/dbraw/zinc/06/52/83/435065283.db2.gz XYAZGZPIQNKOBK-AZUAARDMSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638661109 435065285 /nfs/dbraw/zinc/06/52/85/435065285.db2.gz XYAZGZPIQNKOBK-AZUAARDMSA-N 2 2 324.472 3.361 20 0 DGADLP c1cc2c(c(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c1)OCO2 ZINC000557842485 435069807 /nfs/dbraw/zinc/06/98/07/435069807.db2.gz AGDMHYPFUFYFJP-UHFFFAOYSA-N 2 2 316.445 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000638700386 435072909 /nfs/dbraw/zinc/07/29/09/435072909.db2.gz QORONJZMIGVOPZ-VNQPRFMTSA-N 2 2 301.459 3.188 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000638758908 435083028 /nfs/dbraw/zinc/08/30/28/435083028.db2.gz DBWORQLQHFFKLY-IZIZEDOESA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000638758908 435083031 /nfs/dbraw/zinc/08/30/31/435083031.db2.gz DBWORQLQHFFKLY-IZIZEDOESA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000558259838 435083174 /nfs/dbraw/zinc/08/31/74/435083174.db2.gz XRNQGHNLBWRYSC-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000558259838 435083180 /nfs/dbraw/zinc/08/31/80/435083180.db2.gz XRNQGHNLBWRYSC-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564047 435052978 /nfs/dbraw/zinc/05/29/78/435052978.db2.gz GJZFVZHSIYOVKH-WMLDXEAASA-N 2 2 313.420 3.333 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564047 435052982 /nfs/dbraw/zinc/05/29/82/435052982.db2.gz GJZFVZHSIYOVKH-WMLDXEAASA-N 2 2 313.420 3.333 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638596684 435056427 /nfs/dbraw/zinc/05/64/27/435056427.db2.gz OFVWGOGQMHXLNS-KLAILNCOSA-N 2 2 304.482 3.077 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638596684 435056431 /nfs/dbraw/zinc/05/64/31/435056431.db2.gz OFVWGOGQMHXLNS-KLAILNCOSA-N 2 2 304.482 3.077 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814544 435094882 /nfs/dbraw/zinc/09/48/82/435094882.db2.gz DJVALGZZCKPZAW-POZUXBRTSA-N 2 2 310.445 3.428 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000638814544 435094886 /nfs/dbraw/zinc/09/48/86/435094886.db2.gz DJVALGZZCKPZAW-POZUXBRTSA-N 2 2 310.445 3.428 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638863794 435107105 /nfs/dbraw/zinc/10/71/05/435107105.db2.gz NJEOCAZZNMCMDB-UHFFFAOYSA-N 2 2 307.388 3.335 20 0 DGADLP Cn1c(CCC[NH2+]CC2CCSCC2)[nH+]c2ccccc21 ZINC000638872746 435110605 /nfs/dbraw/zinc/11/06/05/435110605.db2.gz XOZFBBFNWUAZKZ-UHFFFAOYSA-N 2 2 303.475 3.239 20 0 DGADLP c1cnn(-c2cccc(C[NH2+]CC[NH2+]C3CCCCCC3)c2)c1 ZINC000578846825 435113732 /nfs/dbraw/zinc/11/37/32/435113732.db2.gz UQLZKLUNYDHGCV-UHFFFAOYSA-N 2 2 312.461 3.274 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000467390783 435120634 /nfs/dbraw/zinc/12/06/34/435120634.db2.gz QIDWQYPVWMDXPQ-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000467390783 435120637 /nfs/dbraw/zinc/12/06/37/435120637.db2.gz QIDWQYPVWMDXPQ-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468384047 435126792 /nfs/dbraw/zinc/12/67/92/435126792.db2.gz MGJALYOAOWIRRK-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468384047 435126796 /nfs/dbraw/zinc/12/67/96/435126796.db2.gz MGJALYOAOWIRRK-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCc2ccco2)CC1 ZINC000531975517 435131023 /nfs/dbraw/zinc/13/10/23/435131023.db2.gz QVZANKLDMUPOFM-OAHLLOKOSA-N 2 2 308.466 3.080 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128597 435133560 /nfs/dbraw/zinc/13/35/60/435133560.db2.gz BUZXQXUOZYIDCY-UHIISALHSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128597 435133563 /nfs/dbraw/zinc/13/35/63/435133563.db2.gz BUZXQXUOZYIDCY-UHIISALHSA-N 2 2 324.266 3.120 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC[C@@H]1CCO1 ZINC000639051919 435137857 /nfs/dbraw/zinc/13/78/57/435137857.db2.gz ARQSGKMNPYLTJA-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC[C@@H]1CCO1 ZINC000639051919 435137859 /nfs/dbraw/zinc/13/78/59/435137859.db2.gz ARQSGKMNPYLTJA-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CCC[C@H]1CCO1)C1CC1 ZINC000639062302 435140725 /nfs/dbraw/zinc/14/07/25/435140725.db2.gz XPTULXXMGGDAPI-RBUKOAKNSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CCC[C@H]1CCO1)C1CC1 ZINC000639062302 435140730 /nfs/dbraw/zinc/14/07/30/435140730.db2.gz XPTULXXMGGDAPI-RBUKOAKNSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000559892767 435141173 /nfs/dbraw/zinc/14/11/73/435141173.db2.gz HNVFMVKRRMXDAW-DBVUQKKJSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000559892767 435141178 /nfs/dbraw/zinc/14/11/78/435141178.db2.gz HNVFMVKRRMXDAW-DBVUQKKJSA-N 2 2 316.489 3.371 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CCC[C@@H]1CCO1)C1CC1 ZINC000639062303 435141315 /nfs/dbraw/zinc/14/13/15/435141315.db2.gz XPTULXXMGGDAPI-RTBURBONSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CCC[C@@H]1CCO1)C1CC1 ZINC000639062303 435141317 /nfs/dbraw/zinc/14/13/17/435141317.db2.gz XPTULXXMGGDAPI-RTBURBONSA-N 2 2 302.462 3.056 20 0 DGADLP CC1=CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902006 435143493 /nfs/dbraw/zinc/14/34/93/435143493.db2.gz OXTWCTZQVVZILJ-UXHICEINSA-N 2 2 314.473 3.366 20 0 DGADLP CC1=CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902006 435143497 /nfs/dbraw/zinc/14/34/97/435143497.db2.gz OXTWCTZQVVZILJ-UXHICEINSA-N 2 2 314.473 3.366 20 0 DGADLP C[C@@]1(C[NH2+]CCC[C@H]2CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000639071177 435143585 /nfs/dbraw/zinc/14/35/85/435143585.db2.gz HAISHLADYZDMCH-OALUTQOASA-N 2 2 302.462 3.200 20 0 DGADLP C[C@@]1(C[NH2+]CCC[C@H]2CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000639071177 435143589 /nfs/dbraw/zinc/14/35/89/435143589.db2.gz HAISHLADYZDMCH-OALUTQOASA-N 2 2 302.462 3.200 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600712 435189266 /nfs/dbraw/zinc/18/92/66/435189266.db2.gz DHXMRBKRJYEEPP-XZNOPERXSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600712 435189270 /nfs/dbraw/zinc/18/92/70/435189270.db2.gz DHXMRBKRJYEEPP-XZNOPERXSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000493692293 435190180 /nfs/dbraw/zinc/19/01/80/435190180.db2.gz VBNRSVXRJFVOMJ-GBOPCIDUSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000493692293 435190184 /nfs/dbraw/zinc/19/01/84/435190184.db2.gz VBNRSVXRJFVOMJ-GBOPCIDUSA-N 2 2 304.400 3.427 20 0 DGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000639226642 435204087 /nfs/dbraw/zinc/20/40/87/435204087.db2.gz GUGQAGCOCDFFQQ-HNNXBMFYSA-N 2 2 313.445 3.168 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474801824 435162032 /nfs/dbraw/zinc/16/20/32/435162032.db2.gz ZOROYBTZZNZHDQ-CABCVRRESA-N 2 2 312.885 3.390 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474801824 435162037 /nfs/dbraw/zinc/16/20/37/435162037.db2.gz ZOROYBTZZNZHDQ-CABCVRRESA-N 2 2 312.885 3.390 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000532447918 435164863 /nfs/dbraw/zinc/16/48/63/435164863.db2.gz COLJZIQOSOZDTH-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000532447918 435164866 /nfs/dbraw/zinc/16/48/66/435164866.db2.gz COLJZIQOSOZDTH-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000532447920 435166392 /nfs/dbraw/zinc/16/63/92/435166392.db2.gz COLJZIQOSOZDTH-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000532447920 435166395 /nfs/dbraw/zinc/16/63/95/435166395.db2.gz COLJZIQOSOZDTH-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCC2 ZINC000639149869 435174596 /nfs/dbraw/zinc/17/45/96/435174596.db2.gz VMKFXFRSCPCMIU-HOTGVXAUSA-N 2 2 317.477 3.435 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639155455 435177493 /nfs/dbraw/zinc/17/74/93/435177493.db2.gz PSAOPTUMPGMJHC-CQSZACIVSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639155455 435177494 /nfs/dbraw/zinc/17/74/94/435177494.db2.gz PSAOPTUMPGMJHC-CQSZACIVSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000642242124 435214246 /nfs/dbraw/zinc/21/42/46/435214246.db2.gz BIYIAFPQLBLWPT-UHFFFAOYSA-N 2 2 323.484 3.297 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258330 435215412 /nfs/dbraw/zinc/21/54/12/435215412.db2.gz GJUQXOMQHKJKGC-VPWXQRGCSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258330 435215415 /nfs/dbraw/zinc/21/54/15/435215415.db2.gz GJUQXOMQHKJKGC-VPWXQRGCSA-N 2 2 324.472 3.439 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000580301833 435221697 /nfs/dbraw/zinc/22/16/97/435221697.db2.gz QSFZYHLBLXGEQL-VQTJNVASSA-N 3 2 318.424 3.166 20 0 DGADLP Cc1cc(N2CCC[N@H+](Cc3ccccc3C)CC2)nc(C)[nH+]1 ZINC000642326721 435222444 /nfs/dbraw/zinc/22/24/44/435222444.db2.gz PRRBYCDFWJGDRL-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP Cc1cc(N2CCC[N@@H+](Cc3ccccc3C)CC2)nc(C)[nH+]1 ZINC000642326721 435222449 /nfs/dbraw/zinc/22/24/49/435222449.db2.gz PRRBYCDFWJGDRL-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP COc1ncc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC000533099645 435211784 /nfs/dbraw/zinc/21/17/84/435211784.db2.gz ZWRLSLHRGWPEIT-CQSZACIVSA-N 2 2 311.857 3.050 20 0 DGADLP COc1ncc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC000533099645 435211786 /nfs/dbraw/zinc/21/17/86/435211786.db2.gz ZWRLSLHRGWPEIT-CQSZACIVSA-N 2 2 311.857 3.050 20 0 DGADLP COc1ncc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000533099645 435211788 /nfs/dbraw/zinc/21/17/88/435211788.db2.gz ZWRLSLHRGWPEIT-CQSZACIVSA-N 2 2 311.857 3.050 20 0 DGADLP COc1ncc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000533099645 435211792 /nfs/dbraw/zinc/21/17/92/435211792.db2.gz ZWRLSLHRGWPEIT-CQSZACIVSA-N 2 2 311.857 3.050 20 0 DGADLP c1ccc2oc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)nc2c1 ZINC000642518552 435231321 /nfs/dbraw/zinc/23/13/21/435231321.db2.gz CVOJDVIVNNGQKP-UHFFFAOYSA-N 2 2 321.424 3.366 20 0 DGADLP c1ccc2oc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)nc2c1 ZINC000642518552 435231329 /nfs/dbraw/zinc/23/13/29/435231329.db2.gz CVOJDVIVNNGQKP-UHFFFAOYSA-N 2 2 321.424 3.366 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295832 435231906 /nfs/dbraw/zinc/23/19/06/435231906.db2.gz NUHXDNKISWMZAL-UZLBHIALSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295832 435231911 /nfs/dbraw/zinc/23/19/11/435231911.db2.gz NUHXDNKISWMZAL-UZLBHIALSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000580426450 435233359 /nfs/dbraw/zinc/23/33/59/435233359.db2.gz FLJHLQMYMACJLB-UHFFFAOYSA-N 2 2 322.412 3.157 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000580426450 435233364 /nfs/dbraw/zinc/23/33/64/435233364.db2.gz FLJHLQMYMACJLB-UHFFFAOYSA-N 2 2 322.412 3.157 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639336249 435249616 /nfs/dbraw/zinc/24/96/16/435249616.db2.gz AFZBEAHYGDECBI-PXNSSMCTSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639336249 435249620 /nfs/dbraw/zinc/24/96/20/435249620.db2.gz AFZBEAHYGDECBI-PXNSSMCTSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000476986837 435251704 /nfs/dbraw/zinc/25/17/04/435251704.db2.gz RXGBUOSOQKDCSF-MRXNPFEDSA-N 2 2 324.509 3.305 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000476986837 435251707 /nfs/dbraw/zinc/25/17/07/435251707.db2.gz RXGBUOSOQKDCSF-MRXNPFEDSA-N 2 2 324.509 3.305 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1nccn1C ZINC000639327435 435248154 /nfs/dbraw/zinc/24/81/54/435248154.db2.gz OZRSYPWYTBIMBA-VDZJLULYSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1nccn1C ZINC000639327435 435248159 /nfs/dbraw/zinc/24/81/59/435248159.db2.gz OZRSYPWYTBIMBA-VDZJLULYSA-N 2 2 324.472 3.439 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000639351870 435258138 /nfs/dbraw/zinc/25/81/38/435258138.db2.gz LBNCEEWIYGOSCL-PXNSSMCTSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC000639351870 435258141 /nfs/dbraw/zinc/25/81/41/435258141.db2.gz LBNCEEWIYGOSCL-PXNSSMCTSA-N 2 2 313.489 3.119 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000126325402 298363766 /nfs/dbraw/zinc/36/37/66/298363766.db2.gz GYXPSLJYJJSZFD-SJORKVTESA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000126325402 298363769 /nfs/dbraw/zinc/36/37/69/298363769.db2.gz GYXPSLJYJJSZFD-SJORKVTESA-N 2 2 304.478 3.302 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000583888657 435253768 /nfs/dbraw/zinc/25/37/68/435253768.db2.gz WJXAQZKCAJKNRU-MRXNPFEDSA-N 2 2 321.896 3.336 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000583888657 435253771 /nfs/dbraw/zinc/25/37/71/435253771.db2.gz WJXAQZKCAJKNRU-MRXNPFEDSA-N 2 2 321.896 3.336 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031698 435268432 /nfs/dbraw/zinc/26/84/32/435268432.db2.gz BUUJRDXUWGMUMB-CZUORRHYSA-N 2 2 316.848 3.078 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031698 435268438 /nfs/dbraw/zinc/26/84/38/435268438.db2.gz BUUJRDXUWGMUMB-CZUORRHYSA-N 2 2 316.848 3.078 20 0 DGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1F ZINC000639374305 435271635 /nfs/dbraw/zinc/27/16/35/435271635.db2.gz FYBPZULWYUVRLR-UHFFFAOYSA-N 2 2 306.425 3.285 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000639375361 435271804 /nfs/dbraw/zinc/27/18/04/435271804.db2.gz UIDCOGLJWVDMJC-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374570 435272166 /nfs/dbraw/zinc/27/21/66/435272166.db2.gz HBWXMGTYMUELOO-UHFFFAOYSA-N 2 2 324.472 3.389 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000639376401 435273691 /nfs/dbraw/zinc/27/36/91/435273691.db2.gz HNHGBVOAMNDWNN-UHFFFAOYSA-N 2 2 306.450 3.266 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000639376662 435274464 /nfs/dbraw/zinc/27/44/64/435274464.db2.gz SYEUKFKLTXIECZ-UHFFFAOYSA-N 2 2 312.461 3.403 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000639376662 435274467 /nfs/dbraw/zinc/27/44/67/435274467.db2.gz SYEUKFKLTXIECZ-UHFFFAOYSA-N 2 2 312.461 3.403 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000639378117 435274583 /nfs/dbraw/zinc/27/45/83/435274583.db2.gz BCMIDXXSALQEIJ-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000639376058 435274845 /nfs/dbraw/zinc/27/48/45/435274845.db2.gz RIKREPUPHWNBED-INIZCTEOSA-N 2 2 316.493 3.495 20 0 DGADLP CCN(CC)c1ncc(C[NH+]2CCC(CC)([NH+](C)C)CC2)s1 ZINC000639379964 435275717 /nfs/dbraw/zinc/27/57/17/435275717.db2.gz USYPSQRVVKOENE-UHFFFAOYSA-N 2 2 324.538 3.296 20 0 DGADLP COc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315714 435279353 /nfs/dbraw/zinc/27/93/53/435279353.db2.gz FLBGFNQVQAOCNO-WFASDCNBSA-N 2 2 320.824 3.023 20 0 DGADLP COc1ncc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315714 435279356 /nfs/dbraw/zinc/27/93/56/435279356.db2.gz FLBGFNQVQAOCNO-WFASDCNBSA-N 2 2 320.824 3.023 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3nc2OC)CC1 ZINC000534331219 435280588 /nfs/dbraw/zinc/28/05/88/435280588.db2.gz ROXWETQXDHTVAT-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3nc2OC)CC1 ZINC000534331219 435280591 /nfs/dbraw/zinc/28/05/91/435280591.db2.gz ROXWETQXDHTVAT-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC(C)C([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000643251678 435284626 /nfs/dbraw/zinc/28/46/26/435284626.db2.gz LVHJHENMGAIHSU-UHFFFAOYSA-N 2 2 304.478 3.289 20 0 DGADLP c1cn(CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)c[nH+]1 ZINC000648431638 435296671 /nfs/dbraw/zinc/29/66/71/435296671.db2.gz QCCXUOCPKCJXNC-UHFFFAOYSA-N 2 2 315.417 3.005 20 0 DGADLP CSC1(CNc2[nH+]c3ccccc3cc2C)CC[NH+](C)CC1 ZINC000589604580 435296947 /nfs/dbraw/zinc/29/69/47/435296947.db2.gz AEZVVCLNDWGYOU-UHFFFAOYSA-N 2 2 315.486 3.783 20 0 DGADLP c1sc(C2CC2)nc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863133 435303695 /nfs/dbraw/zinc/30/36/95/435303695.db2.gz YIYZWCGDRXDMMF-UHFFFAOYSA-N 2 2 314.458 3.492 20 0 DGADLP Cc1cnccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000648462513 435307635 /nfs/dbraw/zinc/30/76/35/435307635.db2.gz CDPVTTCKBTYYTI-GOSISDBHSA-N 2 2 306.413 3.197 20 0 DGADLP C[C@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC[C@H]1[NH3+] ZINC000643009806 435261291 /nfs/dbraw/zinc/26/12/91/435261291.db2.gz MIFCKRRTDVIVDX-QWHCGFSZSA-N 2 2 304.482 3.245 20 0 DGADLP CC(C)c1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000643025406 435261569 /nfs/dbraw/zinc/26/15/69/435261569.db2.gz LFAAIECDHLMQGI-RRFJBIMHSA-N 2 2 302.466 3.287 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000643059802 435264064 /nfs/dbraw/zinc/26/40/64/435264064.db2.gz XZAWWRHNUQIAMQ-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000643059802 435264068 /nfs/dbraw/zinc/26/40/68/435264068.db2.gz XZAWWRHNUQIAMQ-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCO1 ZINC000648484886 435316163 /nfs/dbraw/zinc/31/61/63/435316163.db2.gz XKGDMXYMMRNFSR-ATZDWAIDSA-N 2 2 317.477 3.154 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000648498648 435322141 /nfs/dbraw/zinc/32/21/41/435322141.db2.gz FEWMTOXDODGNDR-GJZGRUSLSA-N 2 2 301.434 3.053 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506026 435323376 /nfs/dbraw/zinc/32/33/76/435323376.db2.gz BSTWWDWFTIAYNI-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506026 435323379 /nfs/dbraw/zinc/32/33/79/435323379.db2.gz BSTWWDWFTIAYNI-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506026 435323381 /nfs/dbraw/zinc/32/33/81/435323381.db2.gz BSTWWDWFTIAYNI-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)[C@H]2C1 ZINC000648506026 435323386 /nfs/dbraw/zinc/32/33/86/435323386.db2.gz BSTWWDWFTIAYNI-ABAIWWIYSA-N 2 2 305.809 3.007 20 0 DGADLP CC[N@H+](C[C@@H]1CCO[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504045 435325060 /nfs/dbraw/zinc/32/50/60/435325060.db2.gz PKMQUPRRZOFKDW-WMZOPIPTSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](C[C@@H]1CCO[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504045 435325062 /nfs/dbraw/zinc/32/50/62/435325062.db2.gz PKMQUPRRZOFKDW-WMZOPIPTSA-N 2 2 317.477 3.045 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000535316851 435327003 /nfs/dbraw/zinc/32/70/03/435327003.db2.gz ZXFBTHQXQGUTSY-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643464313 435329371 /nfs/dbraw/zinc/32/93/71/435329371.db2.gz AVHMRMPCVDXMJU-YTQUADARSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643464313 435329372 /nfs/dbraw/zinc/32/93/72/435329372.db2.gz AVHMRMPCVDXMJU-YTQUADARSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000643459779 435330581 /nfs/dbraw/zinc/33/05/81/435330581.db2.gz ICDFXVXFPOPEIK-YJBOKZPZSA-N 2 2 311.429 3.494 20 0 DGADLP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000643465988 435332654 /nfs/dbraw/zinc/33/26/54/435332654.db2.gz HGHKDKLTAQNSEJ-QCZZGDTMSA-N 2 2 316.342 3.253 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000648529002 435333558 /nfs/dbraw/zinc/33/35/58/435333558.db2.gz XSCLXRJAIIOKFL-VAMGGRTRSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000648529002 435333565 /nfs/dbraw/zinc/33/35/65/435333565.db2.gz XSCLXRJAIIOKFL-VAMGGRTRSA-N 2 2 316.489 3.444 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])CCO2 ZINC000643482464 435334078 /nfs/dbraw/zinc/33/40/78/435334078.db2.gz PIZHANQSEAEOHG-BBWFWOEESA-N 2 2 304.434 3.159 20 0 DGADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500994 435335911 /nfs/dbraw/zinc/33/59/11/435335911.db2.gz NLXPCWJAUMJRPS-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000643501150 435336333 /nfs/dbraw/zinc/33/63/33/435336333.db2.gz XQSFCELNYGHLPD-RYUDHWBXSA-N 2 2 302.340 3.378 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506803 435338162 /nfs/dbraw/zinc/33/81/62/435338162.db2.gz JBBCPXSIJQGECV-ZDUSSCGKSA-N 2 2 315.486 3.445 20 0 DGADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502901 435338382 /nfs/dbraw/zinc/33/83/82/435338382.db2.gz UXTAKAVAJPFGDI-ONGXEEELSA-N 2 2 315.280 3.230 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCS2 ZINC000643502410 435338699 /nfs/dbraw/zinc/33/86/99/435338699.db2.gz FPVLGYSZJOVMFU-CJNGLKHVSA-N 2 2 306.475 3.354 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Br)c(F)c1 ZINC000643501550 435339202 /nfs/dbraw/zinc/33/92/02/435339202.db2.gz KIFHPKBLWUQKHE-JQWIXIFHSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(SCC(F)F)cc1 ZINC000643506997 435339277 /nfs/dbraw/zinc/33/92/77/435339277.db2.gz OVUZCGSBYOEDMA-NSHDSACASA-N 2 2 300.418 3.446 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCC2 ZINC000643501662 435339446 /nfs/dbraw/zinc/33/94/46/435339446.db2.gz NHDUJBSZWUKWCV-DOMZBBRYSA-N 2 2 313.367 3.210 20 0 DGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643501876 435339869 /nfs/dbraw/zinc/33/98/69/435339869.db2.gz RMYAFKPKWGAZSJ-RHSMWYFYSA-N 2 2 318.465 3.009 20 0 DGADLP FC(F)(F)Oc1cccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507915 435339991 /nfs/dbraw/zinc/33/99/91/435339991.db2.gz WAVZXJIBPMMCSB-HNNXBMFYSA-N 2 2 314.351 3.378 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000643521771 435341650 /nfs/dbraw/zinc/34/16/50/435341650.db2.gz BKNGZZVSJQAIPG-QAPCUYQASA-N 2 2 317.383 3.181 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3cccc4c3CCOC4)CC2)[nH+]c1 ZINC000639553835 435341735 /nfs/dbraw/zinc/34/17/35/435341735.db2.gz IFXYMZRTBXKFNK-UHFFFAOYSA-N 2 2 323.440 3.231 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000567681158 435342648 /nfs/dbraw/zinc/34/26/48/435342648.db2.gz LLYZJOPYZFOLRL-SWLSCSKDSA-N 2 2 318.383 3.059 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@@H+]1C1CC1 ZINC000643532805 435344565 /nfs/dbraw/zinc/34/45/65/435344565.db2.gz KUBIGMQJELKKBY-SUYBPPKGSA-N 2 2 315.461 3.086 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@H+]1C1CC1 ZINC000643532805 435344568 /nfs/dbraw/zinc/34/45/68/435344568.db2.gz KUBIGMQJELKKBY-SUYBPPKGSA-N 2 2 315.461 3.086 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000643537360 435345700 /nfs/dbraw/zinc/34/57/00/435345700.db2.gz GDZDGCAFHVAAHX-BPUTZDHNSA-N 2 2 324.440 3.225 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000643537802 435347362 /nfs/dbraw/zinc/34/73/62/435347362.db2.gz RAGONFFLFACZEN-OUJBWJOFSA-N 2 2 300.830 3.167 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546134 435350081 /nfs/dbraw/zinc/35/00/81/435350081.db2.gz JGGKKBOZEDQVRU-CHWSQXEVSA-N 2 2 322.424 3.168 20 0 DGADLP CN(CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000567771103 435354234 /nfs/dbraw/zinc/35/42/34/435354234.db2.gz QCRZUWLTPIDZTD-LJQANCHMSA-N 2 2 311.429 3.061 20 0 DGADLP CN(CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000567771103 435354239 /nfs/dbraw/zinc/35/42/39/435354239.db2.gz QCRZUWLTPIDZTD-LJQANCHMSA-N 2 2 311.429 3.061 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000480030751 435363375 /nfs/dbraw/zinc/36/33/75/435363375.db2.gz RVSBDYFMJDTMLQ-ROUUACIJSA-N 2 2 304.478 3.311 20 0 DGADLP CC(C)c1nnc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC000567355046 435310965 /nfs/dbraw/zinc/31/09/65/435310965.db2.gz VRNPPFREZZJBHG-AWEZNQCLSA-N 2 2 319.497 3.376 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000567399650 435313566 /nfs/dbraw/zinc/31/35/66/435313566.db2.gz MVMLEHGAZWAPQX-UHFFFAOYSA-N 2 2 306.841 3.114 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000567399650 435313568 /nfs/dbraw/zinc/31/35/68/435313568.db2.gz MVMLEHGAZWAPQX-UHFFFAOYSA-N 2 2 306.841 3.114 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000536837813 435413127 /nfs/dbraw/zinc/41/31/27/435413127.db2.gz IDNWTLXHIBPNTI-LSTDLKDCSA-N 2 2 302.462 3.225 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000536837813 435413133 /nfs/dbraw/zinc/41/31/33/435413133.db2.gz IDNWTLXHIBPNTI-LSTDLKDCSA-N 2 2 302.462 3.225 20 0 DGADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000481244057 435417746 /nfs/dbraw/zinc/41/77/46/435417746.db2.gz ZKZQUWRDGURDIS-RDJZCZTQSA-N 2 2 308.441 3.402 20 0 DGADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000481244057 435417750 /nfs/dbraw/zinc/41/77/50/435417750.db2.gz ZKZQUWRDGURDIS-RDJZCZTQSA-N 2 2 308.441 3.402 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066679 435370456 /nfs/dbraw/zinc/37/04/56/435370456.db2.gz HOLGITVHVNPKOB-ZFWWWQNUSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066679 435370462 /nfs/dbraw/zinc/37/04/62/435370462.db2.gz HOLGITVHVNPKOB-ZFWWWQNUSA-N 2 2 323.400 3.021 20 0 DGADLP CC[C@H](C[NH2+][C@@H](CC)[C@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000480255659 435372556 /nfs/dbraw/zinc/37/25/56/435372556.db2.gz YVHHOUKKNQCVCV-ZCNNSNEGSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@@H](CC)[C@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000480255659 435372563 /nfs/dbraw/zinc/37/25/63/435372563.db2.gz YVHHOUKKNQCVCV-ZCNNSNEGSA-N 2 2 316.489 3.228 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000480277254 435373278 /nfs/dbraw/zinc/37/32/78/435373278.db2.gz KKSZHFMUAVUMEC-BZSNNMDCSA-N 2 2 304.478 3.453 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000480268796 435373462 /nfs/dbraw/zinc/37/34/62/435373462.db2.gz UYVDEAFHDATEHB-KFWWJZLASA-N 2 2 310.507 3.460 20 0 DGADLP Cc1nc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)sc1C ZINC000536367847 435378625 /nfs/dbraw/zinc/37/86/25/435378625.db2.gz BNPYQXVCGPSDGU-UHFFFAOYSA-N 2 2 302.447 3.231 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400635 435386964 /nfs/dbraw/zinc/38/69/64/435386964.db2.gz ZUFMPTSYFGFSHA-ICSRJNTNSA-N 2 2 316.489 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400635 435386967 /nfs/dbraw/zinc/38/69/67/435386967.db2.gz ZUFMPTSYFGFSHA-ICSRJNTNSA-N 2 2 316.489 3.480 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C2CC2)c1 ZINC000513527407 435393012 /nfs/dbraw/zinc/39/30/12/435393012.db2.gz SKUZWNJSUCEKMR-UZLBHIALSA-N 2 2 316.489 3.338 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C2CC2)c1 ZINC000513527407 435393018 /nfs/dbraw/zinc/39/30/18/435393018.db2.gz SKUZWNJSUCEKMR-UZLBHIALSA-N 2 2 316.489 3.338 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639910179 435455088 /nfs/dbraw/zinc/45/50/88/435455088.db2.gz PLYYLWYHOFRETI-UHFFFAOYSA-N 2 2 323.362 3.430 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639910179 435455092 /nfs/dbraw/zinc/45/50/92/435455092.db2.gz PLYYLWYHOFRETI-UHFFFAOYSA-N 2 2 323.362 3.430 20 0 DGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482171471 435456782 /nfs/dbraw/zinc/45/67/82/435456782.db2.gz SONWHZQLBWNZFD-INIZCTEOSA-N 2 2 302.462 3.018 20 0 DGADLP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000568647192 435458455 /nfs/dbraw/zinc/45/84/55/435458455.db2.gz LVINDVDAJOSPDD-CQSZACIVSA-N 2 2 314.433 3.133 20 0 DGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000568647192 435458457 /nfs/dbraw/zinc/45/84/57/435458457.db2.gz LVINDVDAJOSPDD-CQSZACIVSA-N 2 2 314.433 3.133 20 0 DGADLP C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+]1CCC(C)CC1 ZINC000482238354 435459397 /nfs/dbraw/zinc/45/93/97/435459397.db2.gz GORCXLQMEGIGHX-QGZVFWFLSA-N 2 2 316.489 3.264 20 0 DGADLP C[C@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000568740648 435466104 /nfs/dbraw/zinc/46/61/04/435466104.db2.gz PWNUXFIBCDOIRR-YVEFUNNKSA-N 2 2 318.852 3.101 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000537293933 435435428 /nfs/dbraw/zinc/43/54/28/435435428.db2.gz MZGZNZTZKWLXDI-XDNAFOTISA-N 2 2 308.510 3.434 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000537293933 435435433 /nfs/dbraw/zinc/43/54/33/435435433.db2.gz MZGZNZTZKWLXDI-XDNAFOTISA-N 2 2 308.510 3.434 20 0 DGADLP CCCCO[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000537293246 435435910 /nfs/dbraw/zinc/43/59/10/435435910.db2.gz JWUFVISNCPCOCM-SJORKVTESA-N 2 2 315.461 3.450 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639874135 435442540 /nfs/dbraw/zinc/44/25/40/435442540.db2.gz WIHMVBUEVBLZJY-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639874135 435442545 /nfs/dbraw/zinc/44/25/45/435442545.db2.gz WIHMVBUEVBLZJY-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP CC[C@@H]1CCC[C@H]1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558014 435506447 /nfs/dbraw/zinc/50/64/47/435506447.db2.gz OPZZHWOKEVWMDK-HYVNUMGLSA-N 2 2 302.466 3.213 20 0 DGADLP C[NH+]1CCC([NH+]2CCC([NH2+]CCC3CCCCC3)CC2)CC1 ZINC000483302541 435507714 /nfs/dbraw/zinc/50/77/14/435507714.db2.gz ASNOFANPZWDABE-UHFFFAOYSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000538723892 435517142 /nfs/dbraw/zinc/51/71/42/435517142.db2.gz FTEWHXORAVGMQX-CEXWTWQISA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000538723892 435517147 /nfs/dbraw/zinc/51/71/47/435517147.db2.gz FTEWHXORAVGMQX-CEXWTWQISA-N 2 2 321.553 3.161 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000483521790 435522912 /nfs/dbraw/zinc/52/29/12/435522912.db2.gz YUZAALJHLNPKKI-IBGZPJMESA-N 2 2 315.505 3.300 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000483521790 435522917 /nfs/dbraw/zinc/52/29/17/435522917.db2.gz YUZAALJHLNPKKI-IBGZPJMESA-N 2 2 315.505 3.300 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2[nH+]1 ZINC000649297613 435559324 /nfs/dbraw/zinc/55/93/24/435559324.db2.gz HMQPXBPWYBHXJD-UHFFFAOYSA-N 2 2 312.373 3.210 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@@H+](C(C)C)C3)c2c1C ZINC000645143765 435576612 /nfs/dbraw/zinc/57/66/12/435576612.db2.gz UYJWWYFFHPDAMD-AWEZNQCLSA-N 2 2 301.438 3.107 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@H+](C(C)C)C3)c2c1C ZINC000645143765 435576614 /nfs/dbraw/zinc/57/66/14/435576614.db2.gz UYJWWYFFHPDAMD-AWEZNQCLSA-N 2 2 301.438 3.107 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645150778 435577946 /nfs/dbraw/zinc/57/79/46/435577946.db2.gz RKHGEEVYXBKPIP-KRWDZBQOSA-N 2 2 313.445 3.239 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645150778 435577953 /nfs/dbraw/zinc/57/79/53/435577953.db2.gz RKHGEEVYXBKPIP-KRWDZBQOSA-N 2 2 313.445 3.239 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645150779 435578383 /nfs/dbraw/zinc/57/83/83/435578383.db2.gz RKHGEEVYXBKPIP-QGZVFWFLSA-N 2 2 313.445 3.239 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645150779 435578387 /nfs/dbraw/zinc/57/83/87/435578387.db2.gz RKHGEEVYXBKPIP-QGZVFWFLSA-N 2 2 313.445 3.239 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645162939 435580438 /nfs/dbraw/zinc/58/04/38/435580438.db2.gz URUFHMIFUKGIOO-AWEZNQCLSA-N 2 2 324.432 3.175 20 0 DGADLP CC[C@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@@H]1[NH3+] ZINC000649416493 435581882 /nfs/dbraw/zinc/58/18/82/435581882.db2.gz BVCBSKNGKMJOHX-ZBEGNZNMSA-N 2 2 321.371 3.179 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@@H]1[NH3+] ZINC000649416493 435581887 /nfs/dbraw/zinc/58/18/87/435581887.db2.gz BVCBSKNGKMJOHX-ZBEGNZNMSA-N 2 2 321.371 3.179 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@H]1[NH3+] ZINC000649416490 435584023 /nfs/dbraw/zinc/58/40/23/435584023.db2.gz BVCBSKNGKMJOHX-BDJLRTHQSA-N 2 2 321.371 3.179 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC[C@H]1[NH3+] ZINC000649416490 435584027 /nfs/dbraw/zinc/58/40/27/435584027.db2.gz BVCBSKNGKMJOHX-BDJLRTHQSA-N 2 2 321.371 3.179 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC000484135091 435538977 /nfs/dbraw/zinc/53/89/77/435538977.db2.gz BOIIJXXOBTTYGF-RDTXWAMCSA-N 2 2 304.478 3.231 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000484130056 435540012 /nfs/dbraw/zinc/54/00/12/435540012.db2.gz DHUUUMILWKRMDI-UYAOXDASSA-N 2 2 318.505 3.202 20 0 DGADLP CCc1ccc([C@H]2C[N@H+](CC[C@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357640 435544531 /nfs/dbraw/zinc/54/45/31/435544531.db2.gz QKVQNABEECRBTF-WOJBJXKFSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@H]2C[N@@H+](CC[C@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357640 435544535 /nfs/dbraw/zinc/54/45/35/435544535.db2.gz QKVQNABEECRBTF-WOJBJXKFSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@H]3CCCC[N@@H+]3C)CCO2)cc1 ZINC000484357640 435544539 /nfs/dbraw/zinc/54/45/39/435544539.db2.gz QKVQNABEECRBTF-WOJBJXKFSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357640 435544541 /nfs/dbraw/zinc/54/45/41/435544541.db2.gz QKVQNABEECRBTF-WOJBJXKFSA-N 2 2 316.489 3.497 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CCSC1 ZINC000484500768 435544959 /nfs/dbraw/zinc/54/49/59/435544959.db2.gz XYJZUTORKOKTMM-FUHWJXTLSA-N 2 2 304.503 3.436 20 0 DGADLP C[C@@H](c1csnn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245897 435545355 /nfs/dbraw/zinc/54/53/55/435545355.db2.gz ZDYLXSOGRWTUPO-AWEZNQCLSA-N 2 2 308.495 3.187 20 0 DGADLP COCC1([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000540751561 435615666 /nfs/dbraw/zinc/61/56/66/435615666.db2.gz HXIYGEWGIBHFHZ-UHFFFAOYSA-N 2 2 308.853 3.073 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC(C)C)cc[nH+]2)C1 ZINC000649547474 435620895 /nfs/dbraw/zinc/62/08/95/435620895.db2.gz UENKGEDQIKDOQB-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC(C)C)cc[nH+]2)C1 ZINC000649547474 435620898 /nfs/dbraw/zinc/62/08/98/435620898.db2.gz UENKGEDQIKDOQB-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547474 435620903 /nfs/dbraw/zinc/62/09/03/435620903.db2.gz UENKGEDQIKDOQB-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547474 435620908 /nfs/dbraw/zinc/62/09/08/435620908.db2.gz UENKGEDQIKDOQB-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547474 435620911 /nfs/dbraw/zinc/62/09/11/435620911.db2.gz UENKGEDQIKDOQB-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649547474 435620916 /nfs/dbraw/zinc/62/09/16/435620916.db2.gz UENKGEDQIKDOQB-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[N@@H+]1CCCC[C@H]1C ZINC000570474883 435621981 /nfs/dbraw/zinc/62/19/81/435621981.db2.gz LRCJLORIVLBTEY-BDXSIMOUSA-N 2 2 318.509 3.299 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[N@H+]1CCCC[C@H]1C ZINC000570474883 435621985 /nfs/dbraw/zinc/62/19/85/435621985.db2.gz LRCJLORIVLBTEY-BDXSIMOUSA-N 2 2 318.509 3.299 20 0 DGADLP C[C@H](C[NH2+]C/C=C\c1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000486925689 435622176 /nfs/dbraw/zinc/62/21/76/435622176.db2.gz MOJZRTGZKMURJX-VGOKWCNXSA-N 2 2 307.441 3.131 20 0 DGADLP C[C@H](C[NH2+]C/C=C\c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000486925689 435622180 /nfs/dbraw/zinc/62/21/80/435622180.db2.gz MOJZRTGZKMURJX-VGOKWCNXSA-N 2 2 307.441 3.131 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000649574562 435630644 /nfs/dbraw/zinc/63/06/44/435630644.db2.gz OFLNVBPCHQOFSE-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000649574562 435630651 /nfs/dbraw/zinc/63/06/51/435630651.db2.gz OFLNVBPCHQOFSE-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214681 435595478 /nfs/dbraw/zinc/59/54/78/435595478.db2.gz WVKFVAKUIYSGOQ-KPFFTGBYSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214681 435595481 /nfs/dbraw/zinc/59/54/81/435595481.db2.gz WVKFVAKUIYSGOQ-KPFFTGBYSA-N 2 2 316.489 3.180 20 0 DGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000570708632 435643557 /nfs/dbraw/zinc/64/35/57/435643557.db2.gz HYDZCBHWLBEFCC-RCCFBDPRSA-N 2 2 311.429 3.352 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000548035452 435660935 /nfs/dbraw/zinc/66/09/35/435660935.db2.gz KGJLFYIVWAYLJC-HZSPNIEDSA-N 2 2 312.417 3.277 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000548035452 435660940 /nfs/dbraw/zinc/66/09/40/435660940.db2.gz KGJLFYIVWAYLJC-HZSPNIEDSA-N 2 2 312.417 3.277 20 0 DGADLP CCN(C)c1ccc(CNc2ccc3c(c2)[nH+]c(C)n3C)c[nH+]1 ZINC000570992150 435667886 /nfs/dbraw/zinc/66/78/86/435667886.db2.gz LAWCFARHGYIXHN-UHFFFAOYSA-N 2 2 309.417 3.345 20 0 DGADLP CCc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000541090221 435637331 /nfs/dbraw/zinc/63/73/31/435637331.db2.gz OSOBIVSMIDKUNZ-GOSISDBHSA-N 2 2 310.445 3.018 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000645416097 435639896 /nfs/dbraw/zinc/63/98/96/435639896.db2.gz FAFFYLZSQLWYMG-HNNXBMFYSA-N 2 2 302.462 3.325 20 0 DGADLP FC1(F)CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000649775560 435700195 /nfs/dbraw/zinc/70/01/95/435700195.db2.gz MAZVTHBEGQJKFR-UHFFFAOYSA-N 2 2 303.356 3.494 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655698924 435732389 /nfs/dbraw/zinc/73/23/89/435732389.db2.gz YXIQRNPQAAJCJS-RTBURBONSA-N 2 2 320.452 3.366 20 0 DGADLP CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655707862 435738932 /nfs/dbraw/zinc/73/89/32/435738932.db2.gz GIQUKGBSSCZUIQ-WOJBJXKFSA-N 2 2 316.489 3.241 20 0 DGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655705058 435739430 /nfs/dbraw/zinc/73/94/30/435739430.db2.gz VBGXUNPDXGUOCA-AZUAARDMSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641437990 435742449 /nfs/dbraw/zinc/74/24/49/435742449.db2.gz BGLOXUFIYZXDKX-INIZCTEOSA-N 2 2 317.477 3.055 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641437990 435742456 /nfs/dbraw/zinc/74/24/56/435742456.db2.gz BGLOXUFIYZXDKX-INIZCTEOSA-N 2 2 317.477 3.055 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655712858 435743408 /nfs/dbraw/zinc/74/34/08/435743408.db2.gz XCSCKYGINYNGCI-MOPGFXCFSA-N 2 2 318.436 3.120 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000549137568 435743634 /nfs/dbraw/zinc/74/36/34/435743634.db2.gz VFZVFUZIAFKFNS-GOSISDBHSA-N 2 2 323.440 3.112 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655713784 435744956 /nfs/dbraw/zinc/74/49/56/435744956.db2.gz VXQIWCSLZNAVDV-UHFFFAOYSA-N 2 2 312.461 3.063 20 0 DGADLP Fc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655712861 435745054 /nfs/dbraw/zinc/74/50/54/435745054.db2.gz XCSCKYGINYNGCI-RTBURBONSA-N 2 2 318.436 3.120 20 0 DGADLP C[C@@H]([C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655719058 435746358 /nfs/dbraw/zinc/74/63/58/435746358.db2.gz OWJPNGCZDGGZAG-BXWFABGCSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499425 435746698 /nfs/dbraw/zinc/74/66/98/435746698.db2.gz NQXKHLRRQBDDKQ-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499425 435746708 /nfs/dbraw/zinc/74/67/08/435746708.db2.gz NQXKHLRRQBDDKQ-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3ccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000655722106 435750736 /nfs/dbraw/zinc/75/07/36/435750736.db2.gz XHZLZJLOWWBUJE-NEWSRXKRSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3ccnc32)CC[N@H+]1Cc1ccccc1 ZINC000655722106 435750743 /nfs/dbraw/zinc/75/07/43/435750743.db2.gz XHZLZJLOWWBUJE-NEWSRXKRSA-N 2 2 324.472 3.361 20 0 DGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655720507 435751239 /nfs/dbraw/zinc/75/12/39/435751239.db2.gz YGSQRHDBLSCFTB-QUCCMNQESA-N 2 2 316.489 3.159 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655724016 435751327 /nfs/dbraw/zinc/75/13/27/435751327.db2.gz QPWFJORRXWKDEZ-IEBWSBKVSA-N 2 2 318.436 3.046 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655724018 435751876 /nfs/dbraw/zinc/75/18/76/435751876.db2.gz QPWFJORRXWKDEZ-PKOBYXMFSA-N 2 2 318.436 3.046 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655732158 435758863 /nfs/dbraw/zinc/75/88/63/435758863.db2.gz ZGGJRXJSUYLAGS-BBRMVZONSA-N 2 2 324.415 3.259 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000664677515 435760129 /nfs/dbraw/zinc/76/01/29/435760129.db2.gz AHJCCUICROJRRE-HNNXBMFYSA-N 2 2 300.450 3.196 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000664677515 435760135 /nfs/dbraw/zinc/76/01/35/435760135.db2.gz AHJCCUICROJRRE-HNNXBMFYSA-N 2 2 300.450 3.196 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660468574 435761753 /nfs/dbraw/zinc/76/17/53/435761753.db2.gz LZROQHGDCGDQJG-YJBOKZPZSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660468574 435761759 /nfs/dbraw/zinc/76/17/59/435761759.db2.gz LZROQHGDCGDQJG-YJBOKZPZSA-N 2 2 306.425 3.073 20 0 DGADLP Cc1cnccc1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000645897598 435712910 /nfs/dbraw/zinc/71/29/10/435712910.db2.gz BTNCMYJNZQQCLO-SFHVURJKSA-N 2 2 324.472 3.345 20 0 DGADLP Cc1cnccc1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000645897598 435712916 /nfs/dbraw/zinc/71/29/16/435712916.db2.gz BTNCMYJNZQQCLO-SFHVURJKSA-N 2 2 324.472 3.345 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860516 435722524 /nfs/dbraw/zinc/72/25/24/435722524.db2.gz WTPXTIMFGPYODO-RBUKOAKNSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CCC34CCOCC4)C2)cc1 ZINC000548860516 435722526 /nfs/dbraw/zinc/72/25/26/435722526.db2.gz WTPXTIMFGPYODO-RBUKOAKNSA-N 2 2 314.473 3.200 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000651677486 435787629 /nfs/dbraw/zinc/78/76/29/435787629.db2.gz JSHWBQZVWWWYTG-INIZCTEOSA-N 2 2 305.466 3.091 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000550095788 435789676 /nfs/dbraw/zinc/78/96/76/435789676.db2.gz DOYCBAAEIUFEMC-OKZBNKHCSA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000550095788 435789682 /nfs/dbraw/zinc/78/96/82/435789682.db2.gz DOYCBAAEIUFEMC-OKZBNKHCSA-N 2 2 324.509 3.210 20 0 DGADLP Fc1ccccc1C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655780425 435794694 /nfs/dbraw/zinc/79/46/94/435794694.db2.gz YSNXBBSVMFOIPT-INIZCTEOSA-N 2 2 318.436 3.048 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733175 435801244 /nfs/dbraw/zinc/80/12/44/435801244.db2.gz GRVBVFVJQVGYJY-CRAIPNDOSA-N 2 2 324.472 3.285 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733175 435801250 /nfs/dbraw/zinc/80/12/50/435801250.db2.gz GRVBVFVJQVGYJY-CRAIPNDOSA-N 2 2 324.472 3.285 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cc2n(n1)CCCC2)C1CCCCC1 ZINC000655799573 435807141 /nfs/dbraw/zinc/80/71/41/435807141.db2.gz JGKZODDSPNGMOA-UHFFFAOYSA-N 2 2 318.509 3.354 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cc2n(n1)CCCC2)C1CCCCC1 ZINC000655799573 435807145 /nfs/dbraw/zinc/80/71/45/435807145.db2.gz JGKZODDSPNGMOA-UHFFFAOYSA-N 2 2 318.509 3.354 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCOC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000551015709 435816866 /nfs/dbraw/zinc/81/68/66/435816866.db2.gz ZGQDGWQYQFCRGR-OALUTQOASA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCOC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000551015709 435816871 /nfs/dbraw/zinc/81/68/71/435816871.db2.gz ZGQDGWQYQFCRGR-OALUTQOASA-N 2 2 316.489 3.226 20 0 DGADLP c1ccc([C@H](CC2CC2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655742489 435765536 /nfs/dbraw/zinc/76/55/36/435765536.db2.gz KBUNDSTZHQKPOB-UXHICEINSA-N 2 2 314.473 3.371 20 0 DGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655743269 435767345 /nfs/dbraw/zinc/76/73/45/435767345.db2.gz QEEDTMFJTHMVKB-MRXNPFEDSA-N 2 2 318.436 3.048 20 0 DGADLP C(=C\c1ccccc1)\CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474625 435767709 /nfs/dbraw/zinc/76/77/09/435767709.db2.gz KMSJSZMSYSRNKP-WVPUOPKMSA-N 2 2 314.473 3.277 20 0 DGADLP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474625 435767715 /nfs/dbraw/zinc/76/77/15/435767715.db2.gz KMSJSZMSYSRNKP-WVPUOPKMSA-N 2 2 314.473 3.277 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)c(OC)cc2OC)CC1 ZINC000651621229 435769512 /nfs/dbraw/zinc/76/95/12/435769512.db2.gz ILNFFNKHAHIVDQ-UHFFFAOYSA-N 2 2 324.440 3.149 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(OC)cc2OC)CC1 ZINC000651621229 435769521 /nfs/dbraw/zinc/76/95/21/435769521.db2.gz ILNFFNKHAHIVDQ-UHFFFAOYSA-N 2 2 324.440 3.149 20 0 DGADLP FC(F)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660479846 435771057 /nfs/dbraw/zinc/77/10/57/435771057.db2.gz QFNSCDUMCPNMDF-QGZVFWFLSA-N 2 2 324.415 3.311 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3cc(C)[nH+]cn3)C2)s1 ZINC000641646648 435775523 /nfs/dbraw/zinc/77/55/23/435775523.db2.gz LAAOTEKMLXZXJN-HNNXBMFYSA-N 2 2 316.474 3.113 20 0 DGADLP COc1cc(OC)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000651645117 435777320 /nfs/dbraw/zinc/77/73/20/435777320.db2.gz IWVDFKLDXZKCJO-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(OC)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000651645117 435777325 /nfs/dbraw/zinc/77/73/25/435777325.db2.gz IWVDFKLDXZKCJO-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(OC)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000651645117 435777332 /nfs/dbraw/zinc/77/73/32/435777332.db2.gz IWVDFKLDXZKCJO-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(OC)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000651645117 435777340 /nfs/dbraw/zinc/77/73/40/435777340.db2.gz IWVDFKLDXZKCJO-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655756590 435778264 /nfs/dbraw/zinc/77/82/64/435778264.db2.gz HDMIWFJZLZSIAW-INIZCTEOSA-N 2 2 314.429 3.084 20 0 DGADLP C[C@H]1CC2(C[N@@H+]1Cc1ccc(-n3cc[nH+]c3)cc1)CCOCC2 ZINC000646099034 435781605 /nfs/dbraw/zinc/78/16/05/435781605.db2.gz WIGFCQNXPYPDAY-INIZCTEOSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@H]1CC2(C[N@H+]1Cc1ccc(-n3cc[nH+]c3)cc1)CCOCC2 ZINC000646099034 435781614 /nfs/dbraw/zinc/78/16/14/435781614.db2.gz WIGFCQNXPYPDAY-INIZCTEOSA-N 2 2 311.429 3.263 20 0 DGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000641808414 435828615 /nfs/dbraw/zinc/82/86/15/435828615.db2.gz UTTHYBQFLRXRGD-KBPBESRZSA-N 2 2 305.809 3.210 20 0 DGADLP c1ccc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799533 435828957 /nfs/dbraw/zinc/82/89/57/435828957.db2.gz WSDWVAAJBYDIFX-DZGCQCFKSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799533 435828960 /nfs/dbraw/zinc/82/89/60/435828960.db2.gz WSDWVAAJBYDIFX-DZGCQCFKSA-N 2 2 301.459 3.260 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849289 435838095 /nfs/dbraw/zinc/83/80/95/435838095.db2.gz SSQOVNJIVSCRKN-AITUJVMLSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849289 435838101 /nfs/dbraw/zinc/83/81/01/435838101.db2.gz SSQOVNJIVSCRKN-AITUJVMLSA-N 2 2 302.462 3.369 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655848165 435838142 /nfs/dbraw/zinc/83/81/42/435838142.db2.gz GFSKQTWFYCNGAQ-VQTJNVASSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655848165 435838148 /nfs/dbraw/zinc/83/81/48/435838148.db2.gz GFSKQTWFYCNGAQ-VQTJNVASSA-N 2 2 313.489 3.262 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655849913 435838269 /nfs/dbraw/zinc/83/82/69/435838269.db2.gz QUNXOBUPUQYPEL-QGTPRVQTSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655849913 435838273 /nfs/dbraw/zinc/83/82/73/435838273.db2.gz QUNXOBUPUQYPEL-QGTPRVQTSA-N 2 2 318.461 3.371 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848806 435839020 /nfs/dbraw/zinc/83/90/20/435839020.db2.gz LFMNPGSICBISHT-SFNKJDCFSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848806 435839025 /nfs/dbraw/zinc/83/90/25/435839025.db2.gz LFMNPGSICBISHT-SFNKJDCFSA-N 2 2 316.493 3.053 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000551536386 435840480 /nfs/dbraw/zinc/84/04/80/435840480.db2.gz LYTUDBYKBXCMAU-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000551536386 435840484 /nfs/dbraw/zinc/84/04/84/435840484.db2.gz LYTUDBYKBXCMAU-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655849191 435840774 /nfs/dbraw/zinc/84/07/74/435840774.db2.gz PWPXPAJZQBJEAM-YZGWKJHDSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655849191 435840781 /nfs/dbraw/zinc/84/07/81/435840781.db2.gz PWPXPAJZQBJEAM-YZGWKJHDSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655849189 435841147 /nfs/dbraw/zinc/84/11/47/435841147.db2.gz PWPXPAJZQBJEAM-MISYRCLQSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655849189 435841155 /nfs/dbraw/zinc/84/11/55/435841155.db2.gz PWPXPAJZQBJEAM-MISYRCLQSA-N 2 2 314.473 3.159 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1nc3ccccc3s1)C2 ZINC000660655449 435842464 /nfs/dbraw/zinc/84/24/64/435842464.db2.gz NGCHIYJODYYNNT-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1nc3ccccc3s1)C2 ZINC000660655449 435842469 /nfs/dbraw/zinc/84/24/69/435842469.db2.gz NGCHIYJODYYNNT-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1nc3ccccc3s1)C2 ZINC000660655449 435842474 /nfs/dbraw/zinc/84/24/74/435842474.db2.gz NGCHIYJODYYNNT-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1nc3ccccc3s1)C2 ZINC000660655449 435842479 /nfs/dbraw/zinc/84/24/79/435842479.db2.gz NGCHIYJODYYNNT-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1Cl)C2 ZINC000660654366 435843435 /nfs/dbraw/zinc/84/34/35/435843435.db2.gz HEGKQLFVEOTKHS-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1Cl)C2 ZINC000660654366 435843440 /nfs/dbraw/zinc/84/34/40/435843440.db2.gz HEGKQLFVEOTKHS-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1Cl)C2 ZINC000660654366 435843445 /nfs/dbraw/zinc/84/34/45/435843445.db2.gz HEGKQLFVEOTKHS-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1Cl)C2 ZINC000660654366 435843452 /nfs/dbraw/zinc/84/34/52/435843452.db2.gz HEGKQLFVEOTKHS-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000651846184 435843719 /nfs/dbraw/zinc/84/37/19/435843719.db2.gz IPKMDIGCNDFNTF-MRXNPFEDSA-N 2 2 303.450 3.226 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(Br)c1)C2 ZINC000660654431 435843863 /nfs/dbraw/zinc/84/38/63/435843863.db2.gz ZXUAANMHDTWZTK-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(Br)c1)C2 ZINC000660654431 435843866 /nfs/dbraw/zinc/84/38/66/435843866.db2.gz ZXUAANMHDTWZTK-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(Br)c1)C2 ZINC000660654431 435843874 /nfs/dbraw/zinc/84/38/74/435843874.db2.gz ZXUAANMHDTWZTK-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(Br)c1)C2 ZINC000660654431 435843881 /nfs/dbraw/zinc/84/38/81/435843881.db2.gz ZXUAANMHDTWZTK-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(CC)CC ZINC000551563230 435843929 /nfs/dbraw/zinc/84/39/29/435843929.db2.gz DNZHOESZSMVSLP-HOTGVXAUSA-N 2 2 305.466 3.293 20 0 DGADLP CC(C)O[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000651897958 435859041 /nfs/dbraw/zinc/85/90/41/435859041.db2.gz PCDWBLVQOVCBEL-HNNXBMFYSA-N 2 2 305.447 3.323 20 0 DGADLP CC(C)O[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000651897958 435859045 /nfs/dbraw/zinc/85/90/45/435859045.db2.gz PCDWBLVQOVCBEL-HNNXBMFYSA-N 2 2 305.447 3.323 20 0 DGADLP COCC[NH2+]C1CC[NH+](Cc2cc(C(C)C)ccc2OC)CC1 ZINC000655940128 435864895 /nfs/dbraw/zinc/86/48/95/435864895.db2.gz PSWNEYNGVUYROC-UHFFFAOYSA-N 2 2 320.477 3.019 20 0 DGADLP CO[C@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000660761897 435886568 /nfs/dbraw/zinc/88/65/68/435886568.db2.gz HVMDUWVCXCVQMS-OAHLLOKOSA-N 2 2 322.415 3.150 20 0 DGADLP CO[C@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000660761897 435886572 /nfs/dbraw/zinc/88/65/72/435886572.db2.gz HVMDUWVCXCVQMS-OAHLLOKOSA-N 2 2 322.415 3.150 20 0 DGADLP COc1c(C)[nH+]cnc1NCc1ccccc1C[NH+]1CCCC1 ZINC000656109001 435891291 /nfs/dbraw/zinc/89/12/91/435891291.db2.gz LWFVYTQWFXGORA-UHFFFAOYSA-N 2 2 312.417 3.002 20 0 DGADLP Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)ccc1Oc1cc[nH+]cc1 ZINC000646534484 435892764 /nfs/dbraw/zinc/89/27/64/435892764.db2.gz NJQNFBBELLBKEM-MRXNPFEDSA-N 2 2 313.401 3.494 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000665276772 435936110 /nfs/dbraw/zinc/93/61/10/435936110.db2.gz MFPUZOQLMIEEOC-TZGCNFNXSA-N 2 2 318.461 3.277 20 0 DGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1OC(F)F ZINC000665278046 435936119 /nfs/dbraw/zinc/93/61/19/435936119.db2.gz TZVGLEIMEXQATO-SBTGLGLWSA-N 2 2 316.779 3.344 20 0 DGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Br)c1 ZINC000665276906 435936218 /nfs/dbraw/zinc/93/62/18/435936218.db2.gz OQJSZHAMTYMBGC-XGTXGMFGSA-N 2 2 309.251 3.242 20 0 DGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852011 435908764 /nfs/dbraw/zinc/90/87/64/435908764.db2.gz CRDNWESHGFHYRV-QZTJIDSGSA-N 2 2 313.445 3.121 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656229187 435919500 /nfs/dbraw/zinc/91/95/00/435919500.db2.gz ZOENQXNBYWGEIG-HIFRSBDPSA-N 2 2 302.397 3.141 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656229187 435919504 /nfs/dbraw/zinc/91/95/04/435919504.db2.gz ZOENQXNBYWGEIG-HIFRSBDPSA-N 2 2 302.397 3.141 20 0 DGADLP Cc1c2cccc(C)c2oc1C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660921868 435923195 /nfs/dbraw/zinc/92/31/95/435923195.db2.gz YZJQSIBEVKPEGU-INIZCTEOSA-N 2 2 318.461 3.183 20 0 DGADLP Cc1c2cccc(C)c2oc1C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660921868 435923199 /nfs/dbraw/zinc/92/31/99/435923199.db2.gz YZJQSIBEVKPEGU-INIZCTEOSA-N 2 2 318.461 3.183 20 0 DGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660921868 435923204 /nfs/dbraw/zinc/92/32/04/435923204.db2.gz YZJQSIBEVKPEGU-INIZCTEOSA-N 2 2 318.461 3.183 20 0 DGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660921868 435923207 /nfs/dbraw/zinc/92/32/07/435923207.db2.gz YZJQSIBEVKPEGU-INIZCTEOSA-N 2 2 318.461 3.183 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000656254547 435926882 /nfs/dbraw/zinc/92/68/82/435926882.db2.gz BDWWSHLKWFUVSA-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000656254547 435926887 /nfs/dbraw/zinc/92/68/87/435926887.db2.gz BDWWSHLKWFUVSA-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656254547 435926890 /nfs/dbraw/zinc/92/68/90/435926890.db2.gz BDWWSHLKWFUVSA-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656254547 435926895 /nfs/dbraw/zinc/92/68/95/435926895.db2.gz BDWWSHLKWFUVSA-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000656261547 435927946 /nfs/dbraw/zinc/92/79/46/435927946.db2.gz KPZMRJLYYNWYEP-UHFFFAOYSA-N 2 2 320.868 3.218 20 0 DGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)CCC[NH+](C)C ZINC000656261547 435927949 /nfs/dbraw/zinc/92/79/49/435927949.db2.gz KPZMRJLYYNWYEP-UHFFFAOYSA-N 2 2 320.868 3.218 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000656262194 435929284 /nfs/dbraw/zinc/92/92/84/435929284.db2.gz QDSBPFAMQCLVPY-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000656262194 435929287 /nfs/dbraw/zinc/92/92/87/435929287.db2.gz QDSBPFAMQCLVPY-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253653 435930334 /nfs/dbraw/zinc/93/03/34/435930334.db2.gz YNTVDMXWROXROM-GDIGMMSISA-N 2 2 316.420 3.475 20 0 DGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252493 435930981 /nfs/dbraw/zinc/93/09/81/435930981.db2.gz QYZZECDVAXQWCB-LLUDDFSJSA-N 2 2 324.468 3.498 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(O)c1 ZINC000665254727 435931157 /nfs/dbraw/zinc/93/11/57/435931157.db2.gz YAFOWVIHYIUJGP-UPRAQXHNSA-N 2 2 314.404 3.328 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665265258 435934710 /nfs/dbraw/zinc/93/47/10/435934710.db2.gz TWDHUZSUXCYUGX-QZHFEQFPSA-N 2 2 318.461 3.036 20 0 DGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC13CC(C1)C[NH2+]3)CCCC2 ZINC000665277705 435935350 /nfs/dbraw/zinc/93/53/50/435935350.db2.gz JLZIWLNTPVZXPU-JMARDNNUSA-N 2 2 312.457 3.121 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000647174528 435959549 /nfs/dbraw/zinc/95/95/49/435959549.db2.gz DNUFOFXARZWQMA-UHFFFAOYSA-N 2 2 309.417 3.015 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647181917 435962459 /nfs/dbraw/zinc/96/24/59/435962459.db2.gz YSZBKUKZVPDVGK-UHFFFAOYSA-N 2 2 304.425 3.043 20 0 DGADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647184707 435965906 /nfs/dbraw/zinc/96/59/06/435965906.db2.gz YVJSAYSZSPHBMS-IBGZPJMESA-N 2 2 324.472 3.190 20 0 DGADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000647184707 435965913 /nfs/dbraw/zinc/96/59/13/435965913.db2.gz YVJSAYSZSPHBMS-IBGZPJMESA-N 2 2 324.472 3.190 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196821 435970186 /nfs/dbraw/zinc/97/01/86/435970186.db2.gz NPYKVALJYCQTLV-QAPCUYQASA-N 2 2 310.445 3.258 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196821 435970192 /nfs/dbraw/zinc/97/01/92/435970192.db2.gz NPYKVALJYCQTLV-QAPCUYQASA-N 2 2 310.445 3.258 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000647243279 435987901 /nfs/dbraw/zinc/98/79/01/435987901.db2.gz HFJVXMCCPQHILQ-QFHJOOASSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000647243279 435987909 /nfs/dbraw/zinc/98/79/09/435987909.db2.gz HFJVXMCCPQHILQ-QFHJOOASSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000647248037 435990072 /nfs/dbraw/zinc/99/00/72/435990072.db2.gz VXRZDJIZXPCXRY-OKILXGFUSA-N 2 2 322.415 3.339 20 0 DGADLP FC1CCC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000647252390 435991857 /nfs/dbraw/zinc/99/18/57/435991857.db2.gz BVRCPMSNAZCNJO-UHFFFAOYSA-N 2 2 305.441 3.164 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000665281760 435938924 /nfs/dbraw/zinc/93/89/24/435938924.db2.gz KJQCFJGOFUSCSB-NVXWUHKLSA-N 2 2 320.868 3.126 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000665297161 435941981 /nfs/dbraw/zinc/94/19/81/435941981.db2.gz AFNHRGIYERUEIH-NHYWBVRUSA-N 2 2 311.267 3.414 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000665295542 435942772 /nfs/dbraw/zinc/94/27/72/435942772.db2.gz FTPZMUNQJUMNBX-BXKDBHETSA-N 2 2 315.280 3.184 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000665296894 435943002 /nfs/dbraw/zinc/94/30/02/435943002.db2.gz ZHXOZNXZDIDYKU-SQWLQELKSA-N 2 2 324.440 3.032 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000665296653 435943480 /nfs/dbraw/zinc/94/34/80/435943480.db2.gz VYBMFSKQGKTGES-ACJLOTCBSA-N 2 2 304.384 3.446 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299175 435944440 /nfs/dbraw/zinc/94/44/40/435944440.db2.gz HYCAUBNILWGHMY-WBMJQRKESA-N 2 2 323.362 3.149 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000656426946 435944996 /nfs/dbraw/zinc/94/49/96/435944996.db2.gz RZIJFUQQDUEOIP-HKUYNNGSSA-N 2 2 313.445 3.062 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000656426946 435945002 /nfs/dbraw/zinc/94/50/02/435945002.db2.gz RZIJFUQQDUEOIP-HKUYNNGSSA-N 2 2 313.445 3.062 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CO1 ZINC000647252928 435994021 /nfs/dbraw/zinc/99/40/21/435994021.db2.gz BXENFGKEXOXEMJ-XJKSGUPXSA-N 2 2 308.853 3.071 20 0 DGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000647289383 436002222 /nfs/dbraw/zinc/00/22/22/436002222.db2.gz RPHKXJIJXLBDRG-RHSMWYFYSA-N 2 2 306.498 3.236 20 0 DGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000647289382 436002695 /nfs/dbraw/zinc/00/26/95/436002695.db2.gz RPHKXJIJXLBDRG-PBHICJAKSA-N 2 2 306.498 3.236 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693636 436012397 /nfs/dbraw/zinc/01/23/97/436012397.db2.gz BYOCCMWEOMFDOA-ZBFHGGJFSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693636 436012400 /nfs/dbraw/zinc/01/24/00/436012400.db2.gz BYOCCMWEOMFDOA-ZBFHGGJFSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693636 436012406 /nfs/dbraw/zinc/01/24/06/436012406.db2.gz BYOCCMWEOMFDOA-ZBFHGGJFSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000656693636 436012409 /nfs/dbraw/zinc/01/24/09/436012409.db2.gz BYOCCMWEOMFDOA-ZBFHGGJFSA-N 2 2 304.434 3.127 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(F)F ZINC000647318698 436012616 /nfs/dbraw/zinc/01/26/16/436012616.db2.gz XQIVXVBZIZYUGN-SQWLQELKSA-N 2 2 311.420 3.173 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(F)F ZINC000647318698 436012621 /nfs/dbraw/zinc/01/26/21/436012621.db2.gz XQIVXVBZIZYUGN-SQWLQELKSA-N 2 2 311.420 3.173 20 0 DGADLP Brc1ccccc1C1([NH2+]C2CC[NH2+]CC2)CCC1 ZINC000650741297 436013906 /nfs/dbraw/zinc/01/39/06/436013906.db2.gz AHWXUJJXHAYLMF-UHFFFAOYSA-N 2 2 309.251 3.170 20 0 DGADLP CC[C@@H](C)CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656704368 436017033 /nfs/dbraw/zinc/01/70/33/436017033.db2.gz IPEIHFDHVMMDNL-CJNGLKHVSA-N 2 2 303.450 3.040 20 0 DGADLP COC1(C[C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)CCC1 ZINC000647364281 436032822 /nfs/dbraw/zinc/03/28/22/436032822.db2.gz WVEKQDFNKUFVGU-CQSZACIVSA-N 2 2 301.434 3.123 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cc2)c[nH+]1 ZINC000656785990 436045101 /nfs/dbraw/zinc/04/51/01/436045101.db2.gz OYOORMNZDYCVFI-IBGZPJMESA-N 3 2 324.472 3.084 20 0 DGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788999 436046554 /nfs/dbraw/zinc/04/65/54/436046554.db2.gz LXUXQQKJWQSAQZ-ZTFGCOKTSA-N 2 2 300.471 3.414 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CCCC1 ZINC000656788455 436046714 /nfs/dbraw/zinc/04/67/14/436046714.db2.gz PVPCLSPANJJDLW-UHFFFAOYSA-N 2 2 305.422 3.310 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCCC3)cs2)cc1 ZINC000656788732 436047328 /nfs/dbraw/zinc/04/73/28/436047328.db2.gz YHCDXEXTKYNRNC-UHFFFAOYSA-N 2 2 301.459 3.480 20 0 DGADLP COCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000656788802 436047643 /nfs/dbraw/zinc/04/76/43/436047643.db2.gz GXLGWXVHIXUVHT-WOJBJXKFSA-N 2 2 310.441 3.068 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000656789845 436048350 /nfs/dbraw/zinc/04/83/50/436048350.db2.gz ARQBKBSCKZUJEU-QZTJIDSGSA-N 2 2 314.404 3.070 20 0 DGADLP COc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1F ZINC000647262593 435995401 /nfs/dbraw/zinc/99/54/01/435995401.db2.gz FZBXADMTGQAQDN-UHFFFAOYSA-N 2 2 313.376 3.123 20 0 DGADLP COc1ccsc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262740 435995698 /nfs/dbraw/zinc/99/56/98/435995698.db2.gz NGVATMWPZPVPAI-UHFFFAOYSA-N 2 2 301.415 3.045 20 0 DGADLP Fc1cccc(COc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)c1 ZINC000647481808 436064311 /nfs/dbraw/zinc/06/43/11/436064311.db2.gz PSILRJUNIONRGY-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP Fc1cccc(COc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)c1 ZINC000647481808 436064314 /nfs/dbraw/zinc/06/43/14/436064314.db2.gz PSILRJUNIONRGY-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP CC[C@H]1C[N@H+](Cc2sc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000647497224 436065004 /nfs/dbraw/zinc/06/50/04/436065004.db2.gz AETFZYNKDPIUDY-JQWIXIFHSA-N 2 2 317.296 3.378 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2sc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000647497224 436065012 /nfs/dbraw/zinc/06/50/12/436065012.db2.gz AETFZYNKDPIUDY-JQWIXIFHSA-N 2 2 317.296 3.378 20 0 DGADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508663 436067923 /nfs/dbraw/zinc/06/79/23/436067923.db2.gz XCOZNLSYMDDIDV-MLGOLLRUSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508663 436067927 /nfs/dbraw/zinc/06/79/27/436067927.db2.gz XCOZNLSYMDDIDV-MLGOLLRUSA-N 2 2 320.433 3.102 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3CCC(C)([NH3+])CC3)cs2)cc1 ZINC000647531467 436073040 /nfs/dbraw/zinc/07/30/40/436073040.db2.gz YSEVEWNQXCKVCE-UHFFFAOYSA-N 2 2 301.459 3.432 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C[C@H]1[NH3+] ZINC000647539213 436074886 /nfs/dbraw/zinc/07/48/86/436074886.db2.gz GXNRMRUQAMPJHP-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C[C@H]1[NH3+] ZINC000647539213 436074890 /nfs/dbraw/zinc/07/48/90/436074890.db2.gz GXNRMRUQAMPJHP-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000647549842 436082171 /nfs/dbraw/zinc/08/21/71/436082171.db2.gz TVMPBMYTENVLEQ-SJLPKXTDSA-N 2 2 310.441 3.320 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1OCC ZINC000647554137 436082743 /nfs/dbraw/zinc/08/27/43/436082743.db2.gz RWZHKVLCIBJICD-SFHVURJKSA-N 2 2 318.461 3.248 20 0 DGADLP Brc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cs1 ZINC000647554154 436083864 /nfs/dbraw/zinc/08/38/64/436083864.db2.gz SBMOZRQIGHHETM-LLVKDONJSA-N 2 2 315.280 3.275 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814214 436127059 /nfs/dbraw/zinc/12/70/59/436127059.db2.gz CVUNPDKADUFSEZ-UHFFFAOYSA-N 2 2 316.445 3.004 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814214 436127064 /nfs/dbraw/zinc/12/70/64/436127064.db2.gz CVUNPDKADUFSEZ-UHFFFAOYSA-N 2 2 316.445 3.004 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000657311282 436130127 /nfs/dbraw/zinc/13/01/27/436130127.db2.gz IVTJRZVNYYMKPA-OAHLLOKOSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000657311282 436130128 /nfs/dbraw/zinc/13/01/28/436130128.db2.gz IVTJRZVNYYMKPA-OAHLLOKOSA-N 2 2 312.461 3.240 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)CCC2 ZINC000657330081 436141292 /nfs/dbraw/zinc/14/12/92/436141292.db2.gz ZICUHVCHQBXJRG-VQIMIIECSA-N 2 2 311.429 3.087 20 0 DGADLP CCCn1nccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657335251 436142578 /nfs/dbraw/zinc/14/25/78/436142578.db2.gz AVVDNBYQXLSEKT-UHFFFAOYSA-N 2 2 304.482 3.037 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911000 436148471 /nfs/dbraw/zinc/14/84/71/436148471.db2.gz NOJBKGVRKXRHIL-CYBMUJFWSA-N 2 2 319.399 3.287 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911000 436148476 /nfs/dbraw/zinc/14/84/76/436148476.db2.gz NOJBKGVRKXRHIL-CYBMUJFWSA-N 2 2 319.399 3.287 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911000 436148481 /nfs/dbraw/zinc/14/84/81/436148481.db2.gz NOJBKGVRKXRHIL-CYBMUJFWSA-N 2 2 319.399 3.287 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911000 436148487 /nfs/dbraw/zinc/14/84/87/436148487.db2.gz NOJBKGVRKXRHIL-CYBMUJFWSA-N 2 2 319.399 3.287 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000647934405 436152747 /nfs/dbraw/zinc/15/27/47/436152747.db2.gz DQTQKYCTHKSLQF-CXAGYDPISA-N 2 2 318.852 3.085 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000647934405 436152752 /nfs/dbraw/zinc/15/27/52/436152752.db2.gz DQTQKYCTHKSLQF-CXAGYDPISA-N 2 2 318.852 3.085 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959920 436157505 /nfs/dbraw/zinc/15/75/05/436157505.db2.gz UYCOLQBSIIQWGO-WMLDXEAASA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959920 436157509 /nfs/dbraw/zinc/15/75/09/436157509.db2.gz UYCOLQBSIIQWGO-WMLDXEAASA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959920 436157511 /nfs/dbraw/zinc/15/75/11/436157511.db2.gz UYCOLQBSIIQWGO-WMLDXEAASA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000647959920 436157517 /nfs/dbraw/zinc/15/75/17/436157517.db2.gz UYCOLQBSIIQWGO-WMLDXEAASA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1csc2ccccc12 ZINC000647958300 436158037 /nfs/dbraw/zinc/15/80/37/436158037.db2.gz MYVYXSIOHPEJTD-HNNXBMFYSA-N 2 2 306.475 3.034 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1csc2ccccc12 ZINC000647958300 436158042 /nfs/dbraw/zinc/15/80/42/436158042.db2.gz MYVYXSIOHPEJTD-HNNXBMFYSA-N 2 2 306.475 3.034 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1csc2ccccc12 ZINC000647958300 436158048 /nfs/dbraw/zinc/15/80/48/436158048.db2.gz MYVYXSIOHPEJTD-HNNXBMFYSA-N 2 2 306.475 3.034 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000647958300 436158052 /nfs/dbraw/zinc/15/80/52/436158052.db2.gz MYVYXSIOHPEJTD-HNNXBMFYSA-N 2 2 306.475 3.034 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCCCC2 ZINC000657380133 436167389 /nfs/dbraw/zinc/16/73/89/436167389.db2.gz HKQJBFVYZATSFU-HZPDHXFCSA-N 2 2 303.450 3.047 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960173 436162489 /nfs/dbraw/zinc/16/24/89/436162489.db2.gz JTNYJDUJQJIDCK-IRXDYDNUSA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960173 436162493 /nfs/dbraw/zinc/16/24/93/436162493.db2.gz JTNYJDUJQJIDCK-IRXDYDNUSA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960173 436162496 /nfs/dbraw/zinc/16/24/96/436162496.db2.gz JTNYJDUJQJIDCK-IRXDYDNUSA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000647960173 436162499 /nfs/dbraw/zinc/16/24/99/436162499.db2.gz JTNYJDUJQJIDCK-IRXDYDNUSA-N 2 2 324.896 3.048 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657379237 436168990 /nfs/dbraw/zinc/16/89/90/436168990.db2.gz ZGPJZBZPSYSBMH-BBRMVZONSA-N 2 2 306.425 3.187 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657379237 436168994 /nfs/dbraw/zinc/16/89/94/436168994.db2.gz ZGPJZBZPSYSBMH-BBRMVZONSA-N 2 2 306.425 3.187 20 0 DGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccc(Cl)cc1 ZINC000657380698 436169215 /nfs/dbraw/zinc/16/92/15/436169215.db2.gz LPJBNVCFPWDQPD-GFCCVEGCSA-N 2 2 305.809 3.040 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCCCC2 ZINC000657380131 436168017 /nfs/dbraw/zinc/16/80/17/436168017.db2.gz HKQJBFVYZATSFU-CVEARBPZSA-N 2 2 303.450 3.047 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000651358904 436174782 /nfs/dbraw/zinc/17/47/82/436174782.db2.gz QNOIGGCCCQOSFB-NSHDSACASA-N 2 2 315.808 3.408 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CO1 ZINC000657415022 436187519 /nfs/dbraw/zinc/18/75/19/436187519.db2.gz ZCGRLZBPPYPKAX-ZHALLVOQSA-N 2 2 313.445 3.398 20 0 DGADLP COC[C@@H](C)Oc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000657417489 436187634 /nfs/dbraw/zinc/18/76/34/436187634.db2.gz NYGQMVAYWHTPEA-MRXNPFEDSA-N 2 2 314.429 3.136 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]C1(CCOCc3ccccc3)CC1)CCC2 ZINC000657417914 436187894 /nfs/dbraw/zinc/18/78/94/436187894.db2.gz CJLGWNXLFGURJT-UHFFFAOYSA-N 2 2 311.429 3.058 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000648028889 436185211 /nfs/dbraw/zinc/18/52/11/436185211.db2.gz LEQLNBQBPOWYQZ-SFHVURJKSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000648028889 436185219 /nfs/dbraw/zinc/18/52/19/436185219.db2.gz LEQLNBQBPOWYQZ-SFHVURJKSA-N 2 2 312.461 3.097 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000657527969 436234167 /nfs/dbraw/zinc/23/41/67/436234167.db2.gz JTBUYEABEUPYAE-BARLLCKDSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000657527969 436234170 /nfs/dbraw/zinc/23/41/70/436234170.db2.gz JTBUYEABEUPYAE-BARLLCKDSA-N 2 2 302.462 3.054 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657523855 436234995 /nfs/dbraw/zinc/23/49/95/436234995.db2.gz LJCZSBHBYMAWDL-OAHLLOKOSA-N 2 2 306.450 3.056 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657523855 436234998 /nfs/dbraw/zinc/23/49/98/436234998.db2.gz LJCZSBHBYMAWDL-OAHLLOKOSA-N 2 2 306.450 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531767 436237052 /nfs/dbraw/zinc/23/70/52/436237052.db2.gz YHYRDGHEGPXWRD-DLBZAZTESA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531767 436237054 /nfs/dbraw/zinc/23/70/54/436237054.db2.gz YHYRDGHEGPXWRD-DLBZAZTESA-N 2 2 302.462 3.197 20 0 DGADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657428516 436195749 /nfs/dbraw/zinc/19/57/49/436195749.db2.gz JXUXQCBADWOBRU-HNNXBMFYSA-N 2 2 317.820 3.486 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657434730 436199653 /nfs/dbraw/zinc/19/96/53/436199653.db2.gz CGQKJEOAAYHKHU-HNNXBMFYSA-N 2 2 311.429 3.048 20 0 DGADLP CC(C)n1cc[nH+]c1CN[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000657439058 436202085 /nfs/dbraw/zinc/20/20/85/436202085.db2.gz SKICJRVIROEPQC-MAUKXSAKSA-N 2 2 300.450 3.245 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657442220 436205850 /nfs/dbraw/zinc/20/58/50/436205850.db2.gz QCIYETLJTDZBFA-UHFFFAOYSA-N 2 2 320.234 3.190 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000657461545 436212893 /nfs/dbraw/zinc/21/28/93/436212893.db2.gz HYVWNORCEVYKNV-KRWDZBQOSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000657461545 436212897 /nfs/dbraw/zinc/21/28/97/436212897.db2.gz HYVWNORCEVYKNV-KRWDZBQOSA-N 2 2 312.461 3.108 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000653590559 436217899 /nfs/dbraw/zinc/21/78/99/436217899.db2.gz KNZHHXLGXVFQMH-LBPRGKRZSA-N 2 2 305.809 3.072 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)c2ccccc2O1 ZINC000657478190 436218787 /nfs/dbraw/zinc/21/87/87/436218787.db2.gz HKRHJTOUBKBNMF-RDTXWAMCSA-N 2 2 320.396 3.269 20 0 DGADLP Fc1cc(F)c2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCC2 ZINC000657476198 436219510 /nfs/dbraw/zinc/21/95/10/436219510.db2.gz CIKAFYYSZFBSQY-MRXNPFEDSA-N 2 2 303.356 3.275 20 0 DGADLP Cc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccc1Br ZINC000657489504 436224528 /nfs/dbraw/zinc/22/45/28/436224528.db2.gz WBVSREDJVUSYGD-UHFFFAOYSA-N 2 2 320.234 3.190 20 0 DGADLP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000666454053 436224721 /nfs/dbraw/zinc/22/47/21/436224721.db2.gz PVDKKJLMLXBXEC-CYBMUJFWSA-N 2 2 303.381 3.059 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000657741298 436291413 /nfs/dbraw/zinc/29/14/13/436291413.db2.gz GHTPWEHOQYMGKK-UIRWJGRMSA-N 2 2 302.462 3.310 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000657741298 436291419 /nfs/dbraw/zinc/29/14/19/436291419.db2.gz GHTPWEHOQYMGKK-UIRWJGRMSA-N 2 2 302.462 3.310 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](c3ccccc3)[C@H](O)C(C)C)c[nH+]c12 ZINC000657748635 436293471 /nfs/dbraw/zinc/29/34/71/436293471.db2.gz VUKBZDPYUMELMM-RTBURBONSA-N 2 2 323.440 3.491 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666855345 436295053 /nfs/dbraw/zinc/29/50/53/436295053.db2.gz NMZUZYJFLWRZLD-CQSZACIVSA-N 2 2 317.458 3.050 20 0 DGADLP CC[C@@H](COCC1CC1)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000657559996 436246418 /nfs/dbraw/zinc/24/64/18/436246418.db2.gz CIWJADXJWTXPCO-KRWDZBQOSA-N 2 2 313.445 3.476 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000653750333 436256801 /nfs/dbraw/zinc/25/68/01/436256801.db2.gz AZNOEOWOMQPVEB-SFHVURJKSA-N 2 2 323.444 3.456 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000653750333 436256805 /nfs/dbraw/zinc/25/68/05/436256805.db2.gz AZNOEOWOMQPVEB-SFHVURJKSA-N 2 2 323.444 3.456 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](Oc4ccccc4)C3)n2c1 ZINC000657646208 436267389 /nfs/dbraw/zinc/26/73/89/436267389.db2.gz YBRAPKRPXOPCLB-RZDIXWSQSA-N 2 2 307.397 3.342 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000666766802 436278112 /nfs/dbraw/zinc/27/81/12/436278112.db2.gz FULGMLGRIDRFQW-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP CCOC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657976339 436349745 /nfs/dbraw/zinc/34/97/45/436349745.db2.gz ATAHHZXKSQGPKG-WQUXRXDGSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657976339 436349747 /nfs/dbraw/zinc/34/97/47/436349747.db2.gz ATAHHZXKSQGPKG-WQUXRXDGSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657979722 436350014 /nfs/dbraw/zinc/35/00/14/436350014.db2.gz JNIWOIHFKSKENT-HZPDHXFCSA-N 2 2 303.837 3.462 20 0 DGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657982720 436350776 /nfs/dbraw/zinc/35/07/76/436350776.db2.gz WYGZLBPBDSHWPE-KXBFYZLASA-N 2 2 309.457 3.298 20 0 DGADLP CO[C@@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C1CCCC1 ZINC000657765887 436298253 /nfs/dbraw/zinc/29/82/53/436298253.db2.gz FWHAPANQKWOCSX-IBGZPJMESA-N 2 2 313.445 3.476 20 0 DGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@@H]2CCCSCC2)cc1 ZINC000658007716 436352863 /nfs/dbraw/zinc/35/28/63/436352863.db2.gz WHVCRFAGTURPEO-NVXWUHKLSA-N 2 2 308.491 3.173 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(F)F)nc1 ZINC000658007352 436352962 /nfs/dbraw/zinc/35/29/62/436352962.db2.gz PXJHBIRLKKHXAB-LLVKDONJSA-N 2 2 306.360 3.403 20 0 DGADLP C[NH+](C)CCOc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)cc1 ZINC000657793750 436308665 /nfs/dbraw/zinc/30/86/65/436308665.db2.gz PPLUDQJEUOBEBK-UHFFFAOYSA-N 2 2 314.420 3.398 20 0 DGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000666948015 436313231 /nfs/dbraw/zinc/31/32/31/436313231.db2.gz PWGIUGCGGKNZMQ-SWHYSGLUSA-N 2 2 304.331 3.099 20 0 DGADLP c1ccc2c(c1)cccc2C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662255660 436314182 /nfs/dbraw/zinc/31/41/82/436314182.db2.gz ZWNBONAWAHSXRR-GOSISDBHSA-N 2 2 310.441 3.008 20 0 DGADLP Clc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662255486 436315004 /nfs/dbraw/zinc/31/50/04/436315004.db2.gz PYUQTTCGISZPNZ-IRXDYDNUSA-N 2 2 308.853 3.246 20 0 DGADLP Clc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662255486 436315008 /nfs/dbraw/zinc/31/50/08/436315008.db2.gz PYUQTTCGISZPNZ-IRXDYDNUSA-N 2 2 308.853 3.246 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000662275824 436320950 /nfs/dbraw/zinc/32/09/50/436320950.db2.gz DZUSAPKYLXHIPY-UEKVPHQBSA-N 2 2 300.418 3.033 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCSc1ccc(F)cc1F ZINC000662283268 436323222 /nfs/dbraw/zinc/32/32/22/436323222.db2.gz GMUPCGSXVAPCOG-UHFFFAOYSA-N 2 2 312.429 3.260 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCSc1ccc(F)cc1F ZINC000662283268 436323226 /nfs/dbraw/zinc/32/32/26/436323226.db2.gz GMUPCGSXVAPCOG-UHFFFAOYSA-N 2 2 312.429 3.260 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1CC[NH3+] ZINC000662285436 436323520 /nfs/dbraw/zinc/32/35/20/436323520.db2.gz JOFMXTQVZYQZKG-SMDDNHRTSA-N 2 2 316.367 3.376 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1CC[NH3+] ZINC000662285436 436323521 /nfs/dbraw/zinc/32/35/21/436323521.db2.gz JOFMXTQVZYQZKG-SMDDNHRTSA-N 2 2 316.367 3.376 20 0 DGADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000662295810 436326062 /nfs/dbraw/zinc/32/60/62/436326062.db2.gz UYIRMDLTLJRJMP-UHFFFAOYSA-N 2 2 318.852 3.275 20 0 DGADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000662295810 436326066 /nfs/dbraw/zinc/32/60/66/436326066.db2.gz UYIRMDLTLJRJMP-UHFFFAOYSA-N 2 2 318.852 3.275 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657860487 436327664 /nfs/dbraw/zinc/32/76/64/436327664.db2.gz IDWYLMSDKJTWRH-OALUTQOASA-N 2 2 314.473 3.433 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C1CC(CF)(CF)C1)C2 ZINC000657861283 436328262 /nfs/dbraw/zinc/32/82/62/436328262.db2.gz GPFYKINCLFELQR-GFCCVEGCSA-N 2 2 311.420 3.173 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324424 436330256 /nfs/dbraw/zinc/33/02/56/436330256.db2.gz XQVNJWDVLHHBPE-ZFWWWQNUSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324424 436330258 /nfs/dbraw/zinc/33/02/58/436330258.db2.gz XQVNJWDVLHHBPE-ZFWWWQNUSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCn2nccc21)c1ccccc1 ZINC000657881369 436331594 /nfs/dbraw/zinc/33/15/94/436331594.db2.gz NJZAUFYRIQMRDX-DOTOQJQBSA-N 2 2 312.461 3.437 20 0 DGADLP C[C@@H](C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000667057634 436331767 /nfs/dbraw/zinc/33/17/67/436331767.db2.gz RXIYFIHZSINCAX-KRWDZBQOSA-N 3 2 317.521 3.252 20 0 DGADLP C[C@H](CC1CCC1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000667057609 436331872 /nfs/dbraw/zinc/33/18/72/436331872.db2.gz AKGXBXQMBBLVAI-QGZVFWFLSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667061145 436333231 /nfs/dbraw/zinc/33/32/31/436333231.db2.gz IKGMBQWXGJNSEB-QGZVFWFLSA-N 2 2 324.428 3.094 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667061145 436333235 /nfs/dbraw/zinc/33/32/35/436333235.db2.gz IKGMBQWXGJNSEB-QGZVFWFLSA-N 2 2 324.428 3.094 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000657883225 436333436 /nfs/dbraw/zinc/33/34/36/436333436.db2.gz QYAYAFCKEODBPS-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000657883225 436333443 /nfs/dbraw/zinc/33/34/43/436333443.db2.gz QYAYAFCKEODBPS-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057652 436360899 /nfs/dbraw/zinc/36/08/99/436360899.db2.gz PQSKXQHUUGPFFA-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057652 436360901 /nfs/dbraw/zinc/36/09/01/436360901.db2.gz PQSKXQHUUGPFFA-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658058049 436362254 /nfs/dbraw/zinc/36/22/54/436362254.db2.gz RQGVUFVFYKRVDM-CXAGYDPISA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658058049 436362257 /nfs/dbraw/zinc/36/22/57/436362257.db2.gz RQGVUFVFYKRVDM-CXAGYDPISA-N 2 2 303.450 3.168 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000658090566 436371646 /nfs/dbraw/zinc/37/16/46/436371646.db2.gz HVIZGJPKDMDXEO-ZBFHGGJFSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1OC ZINC000658090566 436371650 /nfs/dbraw/zinc/37/16/50/436371650.db2.gz HVIZGJPKDMDXEO-ZBFHGGJFSA-N 2 2 320.477 3.097 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658026372 436355520 /nfs/dbraw/zinc/35/55/20/436355520.db2.gz SVZZRQIBHNUATI-MSOLQXFVSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658026372 436355523 /nfs/dbraw/zinc/35/55/23/436355523.db2.gz SVZZRQIBHNUATI-MSOLQXFVSA-N 2 2 324.896 3.098 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288052 436418620 /nfs/dbraw/zinc/41/86/20/436418620.db2.gz QTTLMTKCYBHYHK-RDJZCZTQSA-N 2 2 317.477 3.040 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288052 436418624 /nfs/dbraw/zinc/41/86/24/436418624.db2.gz QTTLMTKCYBHYHK-RDJZCZTQSA-N 2 2 317.477 3.040 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288697 436418643 /nfs/dbraw/zinc/41/86/43/436418643.db2.gz YBVMGYOJVXZQGA-BBRMVZONSA-N 2 2 323.868 3.131 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC000658288697 436418647 /nfs/dbraw/zinc/41/86/47/436418647.db2.gz YBVMGYOJVXZQGA-BBRMVZONSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658293472 436420370 /nfs/dbraw/zinc/42/03/70/436420370.db2.gz AOUGOYUWIWMKNJ-OALUTQOASA-N 2 2 314.473 3.134 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000658295713 436420413 /nfs/dbraw/zinc/42/04/13/436420413.db2.gz VHMSRWKASRZODM-CJNGLKHVSA-N 2 2 320.502 3.141 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658296401 436422423 /nfs/dbraw/zinc/42/24/23/436422423.db2.gz ZNHAPMWJYAOONU-YLJYHZDGSA-N 2 2 316.489 3.159 20 0 DGADLP C[NH+](C)[C@@H]1CCCN(c2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000663842883 436516630 /nfs/dbraw/zinc/51/66/30/436516630.db2.gz BYHWRTOSJLVPHZ-MRXNPFEDSA-N 2 2 311.433 3.141 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCc1ccccc1-2 ZINC000663475261 436468135 /nfs/dbraw/zinc/46/81/35/436468135.db2.gz PLIYOFKCOFJCIK-GOSISDBHSA-N 2 2 322.456 3.076 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000663511045 436473373 /nfs/dbraw/zinc/47/33/73/436473373.db2.gz UXXXAJZXMNQINP-CQSZACIVSA-N 2 2 302.393 3.102 20 0 DGADLP Cc1[nH+]ccn1CCCN(C)c1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663733242 436498681 /nfs/dbraw/zinc/49/86/81/436498681.db2.gz BWDAYPADFAAIMZ-UHFFFAOYSA-N 2 2 312.339 3.440 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@H](c3[nH+]ccn3C)C2)[nH+]1 ZINC000663748218 436501716 /nfs/dbraw/zinc/50/17/16/436501716.db2.gz OAJNSPIZUXRDRQ-LLVKDONJSA-N 2 2 310.323 3.136 20 0 DGADLP COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000660002844 436578301 /nfs/dbraw/zinc/57/83/01/436578301.db2.gz BLYFQCZONDOVGB-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP c1ccc(C[NH2+]C2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000663960305 436533992 /nfs/dbraw/zinc/53/39/92/436533992.db2.gz XOKPBLXKHGKOKJ-UHFFFAOYSA-N 2 2 308.429 3.113 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814307 436534265 /nfs/dbraw/zinc/53/42/65/436534265.db2.gz MLHBAUQXUVMYDP-KYJSFNMBSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814307 436534268 /nfs/dbraw/zinc/53/42/68/436534268.db2.gz MLHBAUQXUVMYDP-KYJSFNMBSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814307 436534271 /nfs/dbraw/zinc/53/42/71/436534271.db2.gz MLHBAUQXUVMYDP-KYJSFNMBSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814307 436534274 /nfs/dbraw/zinc/53/42/74/436534274.db2.gz MLHBAUQXUVMYDP-KYJSFNMBSA-N 2 2 320.477 3.069 20 0 DGADLP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858404 436546989 /nfs/dbraw/zinc/54/69/89/436546989.db2.gz DKEODMXHOKDRQJ-DLBZAZTESA-N 2 2 322.493 3.169 20 0 DGADLP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858404 436546992 /nfs/dbraw/zinc/54/69/92/436546992.db2.gz DKEODMXHOKDRQJ-DLBZAZTESA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858404 436546998 /nfs/dbraw/zinc/54/69/98/436546998.db2.gz DKEODMXHOKDRQJ-DLBZAZTESA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1ccccc1OC ZINC000659858404 436547000 /nfs/dbraw/zinc/54/70/00/436547000.db2.gz DKEODMXHOKDRQJ-DLBZAZTESA-N 2 2 322.493 3.169 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929339 436561631 /nfs/dbraw/zinc/56/16/31/436561631.db2.gz RETDGDKSNNVVJC-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929339 436561633 /nfs/dbraw/zinc/56/16/33/436561633.db2.gz RETDGDKSNNVVJC-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929339 436561638 /nfs/dbraw/zinc/56/16/38/436561638.db2.gz RETDGDKSNNVVJC-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc(C)n1 ZINC000659929339 436561639 /nfs/dbraw/zinc/56/16/39/436561639.db2.gz RETDGDKSNNVVJC-FUHWJXTLSA-N 2 2 316.493 3.180 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927279 436561659 /nfs/dbraw/zinc/56/16/59/436561659.db2.gz GBSCWMHVLYXUSA-LSDHHAIUSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927279 436561661 /nfs/dbraw/zinc/56/16/61/436561661.db2.gz GBSCWMHVLYXUSA-LSDHHAIUSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927279 436561665 /nfs/dbraw/zinc/56/16/65/436561665.db2.gz GBSCWMHVLYXUSA-LSDHHAIUSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)sn1 ZINC000659927279 436561669 /nfs/dbraw/zinc/56/16/69/436561669.db2.gz GBSCWMHVLYXUSA-LSDHHAIUSA-N 2 2 323.506 3.238 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000659949248 436566111 /nfs/dbraw/zinc/56/61/11/436566111.db2.gz SFJRTZXYFIOIFZ-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000659949248 436566113 /nfs/dbraw/zinc/56/61/13/436566113.db2.gz SFJRTZXYFIOIFZ-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cc(F)ccc1OC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000659949248 436566114 /nfs/dbraw/zinc/56/61/14/436566114.db2.gz SFJRTZXYFIOIFZ-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cc(F)ccc1OC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000659949248 436566115 /nfs/dbraw/zinc/56/61/15/436566115.db2.gz SFJRTZXYFIOIFZ-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000655684193 436574029 /nfs/dbraw/zinc/57/40/29/436574029.db2.gz ZQPCBHJRSYWQFM-PBHICJAKSA-N 2 2 314.429 3.337 20 0 DGADLP c1c[nH+]c(C2CC[NH+](CCc3nsc4ccccc34)CC2)[nH]1 ZINC000659999361 436576195 /nfs/dbraw/zinc/57/61/95/436576195.db2.gz OVQNAQMIKYUSSW-UHFFFAOYSA-N 2 2 312.442 3.442 20 0 DGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc(C)n1 ZINC000660074221 436586194 /nfs/dbraw/zinc/58/61/94/436586194.db2.gz NNXDJBFQIZASMW-UHFFFAOYSA-N 2 2 324.472 3.190 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc(C)n1 ZINC000660074221 436586196 /nfs/dbraw/zinc/58/61/96/436586196.db2.gz NNXDJBFQIZASMW-UHFFFAOYSA-N 2 2 324.472 3.190 20 0 DGADLP Cc1nc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000664364041 436590097 /nfs/dbraw/zinc/59/00/97/436590097.db2.gz MFXNFWMCQTUZIN-IBGZPJMESA-N 2 2 324.472 3.155 20 0 DGADLP Cc1nc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000664364041 436590100 /nfs/dbraw/zinc/59/01/00/436590100.db2.gz MFXNFWMCQTUZIN-IBGZPJMESA-N 2 2 324.472 3.155 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000660148095 436594768 /nfs/dbraw/zinc/59/47/68/436594768.db2.gz LKRURHZFHDEVKF-UHFFFAOYSA-N 2 2 313.449 3.110 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cc(C4CC4)no3)CC2)c[nH+]1 ZINC000660246218 436613194 /nfs/dbraw/zinc/61/31/94/436613194.db2.gz YXVUFMPRXPGOJI-UHFFFAOYSA-N 2 2 314.433 3.441 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000660256448 436614876 /nfs/dbraw/zinc/61/48/76/436614876.db2.gz MNVFQPUTKRCQDR-FCGDIQPGSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000660256448 436614880 /nfs/dbraw/zinc/61/48/80/436614880.db2.gz MNVFQPUTKRCQDR-FCGDIQPGSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256448 436614884 /nfs/dbraw/zinc/61/48/84/436614884.db2.gz MNVFQPUTKRCQDR-FCGDIQPGSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256448 436614886 /nfs/dbraw/zinc/61/48/86/436614886.db2.gz MNVFQPUTKRCQDR-FCGDIQPGSA-N 3 2 321.553 3.207 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000174511177 312763633 /nfs/dbraw/zinc/76/36/33/312763633.db2.gz DRPRFSAURSWDAA-ROUUACIJSA-N 2 2 311.429 3.310 20 0 DGADLP Brc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000377109923 313018060 /nfs/dbraw/zinc/01/80/60/313018060.db2.gz ALSATLWALZWGDO-UHFFFAOYSA-N 2 2 320.234 3.272 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCc2c[nH+]ccc2C)C2CC2)cn1 ZINC000529690681 313255197 /nfs/dbraw/zinc/25/51/97/313255197.db2.gz VADYVBUXAACFCN-LJQANCHMSA-N 2 2 311.429 3.467 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216981 313341420 /nfs/dbraw/zinc/34/14/20/313341420.db2.gz DVLPRNGKIGZBIR-KSSFIOAISA-N 3 2 310.445 3.116 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000530244660 313346918 /nfs/dbraw/zinc/34/69/18/313346918.db2.gz MGHPCTWOAKNUEH-SFHVURJKSA-N 2 2 322.456 3.224 20 0 DGADLP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000530366789 313361778 /nfs/dbraw/zinc/36/17/78/313361778.db2.gz GOQKMYUAIGDSRZ-SFHVURJKSA-N 2 2 306.494 3.429 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(-n3cccn3)c1)CCC2 ZINC000531866588 313497837 /nfs/dbraw/zinc/49/78/37/313497837.db2.gz AYOAXYYTTBMJEI-KRWDZBQOSA-N 2 2 321.428 3.044 20 0 DGADLP CCCn1c2ccccc2[nH+]c1NCc1c[nH+]c2c(C)cccn12 ZINC000538608788 313870611 /nfs/dbraw/zinc/87/06/11/313870611.db2.gz ILBMKDOBUQDEJK-UHFFFAOYSA-N 2 2 319.412 3.436 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000541558676 314022299 /nfs/dbraw/zinc/02/22/99/314022299.db2.gz QYNDESQUDCAUQF-MLYOOKFZSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000541558676 314022304 /nfs/dbraw/zinc/02/23/04/314022304.db2.gz QYNDESQUDCAUQF-MLYOOKFZSA-N 2 2 316.489 3.444 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476057 314078607 /nfs/dbraw/zinc/07/86/07/314078607.db2.gz UDVZOTPGLJICNZ-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476057 314078611 /nfs/dbraw/zinc/07/86/11/314078611.db2.gz UDVZOTPGLJICNZ-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP c1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)c2cncnc2)cc1 ZINC000542671448 314090715 /nfs/dbraw/zinc/09/07/15/314090715.db2.gz SGASJXWYPCLTNA-LJQANCHMSA-N 2 2 310.445 3.032 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528330 314197030 /nfs/dbraw/zinc/19/70/30/314197030.db2.gz FHLWTRNUUATUDF-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528330 314197034 /nfs/dbraw/zinc/19/70/34/314197034.db2.gz FHLWTRNUUATUDF-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528330 314197035 /nfs/dbraw/zinc/19/70/35/314197035.db2.gz FHLWTRNUUATUDF-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544528330 314197039 /nfs/dbraw/zinc/19/70/39/314197039.db2.gz FHLWTRNUUATUDF-UXHICEINSA-N 2 2 316.489 3.194 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)C2CCCC2)CC1 ZINC000546623356 314314951 /nfs/dbraw/zinc/31/49/51/314314951.db2.gz PQSKLNUHPRHXHZ-UHFFFAOYSA-N 2 2 324.509 3.210 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525171 314377213 /nfs/dbraw/zinc/37/72/13/314377213.db2.gz UORGJNMKNVIEAM-HJZRJOMTSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525171 314377216 /nfs/dbraw/zinc/37/72/16/314377216.db2.gz UORGJNMKNVIEAM-HJZRJOMTSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525170 314377415 /nfs/dbraw/zinc/37/74/15/314377415.db2.gz UORGJNMKNVIEAM-GWFLUQINSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000547525170 314377416 /nfs/dbraw/zinc/37/74/16/314377416.db2.gz UORGJNMKNVIEAM-GWFLUQINSA-N 2 2 316.489 3.443 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000551547861 314566148 /nfs/dbraw/zinc/56/61/48/314566148.db2.gz ZWLHYWCXNXRBDL-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H](C)O1 ZINC000562515753 315026263 /nfs/dbraw/zinc/02/62/63/315026263.db2.gz YWNNWEWMYUPGHM-NBMJBFSESA-N 2 2 302.462 3.369 20 0 DGADLP c1cn(-c2cccc(C[NH2+]Cc3ccc4c(n3)CCC4)c2)c[nH+]1 ZINC000563094044 315078584 /nfs/dbraw/zinc/07/85/84/315078584.db2.gz NUWDKAYIIXJUGW-UHFFFAOYSA-N 2 2 304.397 3.046 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)C[C@@H]1c1ccccc1 ZINC000563948280 315149618 /nfs/dbraw/zinc/14/96/18/315149618.db2.gz MUWZODVZHAJXNM-IEBWSBKVSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)C[C@@H]1c1ccccc1 ZINC000563948280 315149620 /nfs/dbraw/zinc/14/96/20/315149620.db2.gz MUWZODVZHAJXNM-IEBWSBKVSA-N 2 2 324.472 3.145 20 0 DGADLP COC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(Cl)c1F ZINC000564823121 315202871 /nfs/dbraw/zinc/20/28/71/315202871.db2.gz SFJYAJXAOBLEIR-AWEZNQCLSA-N 2 2 302.821 3.144 20 0 DGADLP CC1CCC(O)(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000564846931 315204974 /nfs/dbraw/zinc/20/49/74/315204974.db2.gz FYXMIPLOCIXPGL-XAUUPUKJSA-N 2 2 319.493 3.026 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3C[C@H]3C3CCC3)c12 ZINC000564846184 315205293 /nfs/dbraw/zinc/20/52/93/315205293.db2.gz HYYYLHBHSAKONO-ZFWWWQNUSA-N 2 2 320.400 3.059 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230947 315245382 /nfs/dbraw/zinc/24/53/82/315245382.db2.gz XTBAZNINIFXFJR-RYRKJORJSA-N 2 2 318.461 3.090 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230947 315245384 /nfs/dbraw/zinc/24/53/84/315245384.db2.gz XTBAZNINIFXFJR-RYRKJORJSA-N 2 2 318.461 3.090 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)c[nH+]c12 ZINC000565873291 315293779 /nfs/dbraw/zinc/29/37/79/315293779.db2.gz DLQKDPLZWATJEU-CRAIPNDOSA-N 2 2 322.412 3.048 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Br)c(C)c2)n1C ZINC000566499599 315354142 /nfs/dbraw/zinc/35/41/42/315354142.db2.gz ZJYDEOIGBCYJSE-UHFFFAOYSA-N 2 2 308.223 3.089 20 0 DGADLP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000566414746 315343188 /nfs/dbraw/zinc/34/31/88/315343188.db2.gz RHSSMCCWPRNRRP-MRXNPFEDSA-N 2 2 312.442 3.188 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1C ZINC000566499390 315353319 /nfs/dbraw/zinc/35/33/19/315353319.db2.gz SBAOINTZPIWFSB-KBXCAEBGSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1[nH]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1C ZINC000566499390 315353323 /nfs/dbraw/zinc/35/33/23/315353323.db2.gz SBAOINTZPIWFSB-KBXCAEBGSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)n1C ZINC000566498875 315353568 /nfs/dbraw/zinc/35/35/68/315353568.db2.gz JBSJEBHNEYIHAG-UHFFFAOYSA-N 2 2 303.837 3.494 20 0 DGADLP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000567981169 315468083 /nfs/dbraw/zinc/46/80/83/315468083.db2.gz RAVGENWOZYEENP-IAGOWNOFSA-N 2 2 308.853 3.071 20 0 DGADLP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000568381455 315506995 /nfs/dbraw/zinc/50/69/95/315506995.db2.gz NIHWIVLALMICKH-NSHDSACASA-N 2 2 315.255 3.108 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(Br)cc2)n1C ZINC000570816199 315677481 /nfs/dbraw/zinc/67/74/81/315677481.db2.gz JGNNPDURSCZFIT-SNVBAGLBSA-N 2 2 308.223 3.342 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000573951070 315917034 /nfs/dbraw/zinc/91/70/34/315917034.db2.gz VSWLACPIGIVCEW-KBXCAEBGSA-N 2 2 315.461 3.045 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000574829828 316005231 /nfs/dbraw/zinc/00/52/31/316005231.db2.gz YHTDYAHXJAKKKZ-CQSZACIVSA-N 2 2 317.458 3.257 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000574829828 316005234 /nfs/dbraw/zinc/00/52/34/316005234.db2.gz YHTDYAHXJAKKKZ-CQSZACIVSA-N 2 2 317.458 3.257 20 0 DGADLP Fc1cccc(-c2cnc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000574920004 316016043 /nfs/dbraw/zinc/01/60/43/316016043.db2.gz URTKKKUIHYRWEE-SFHVURJKSA-N 2 2 315.392 3.056 20 0 DGADLP Fc1cccc(-c2cnc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000574920004 316016045 /nfs/dbraw/zinc/01/60/45/316016045.db2.gz URTKKKUIHYRWEE-SFHVURJKSA-N 2 2 315.392 3.056 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000575736528 316056781 /nfs/dbraw/zinc/05/67/81/316056781.db2.gz RNDPCNBQYQGKTN-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000575736528 316056785 /nfs/dbraw/zinc/05/67/85/316056785.db2.gz RNDPCNBQYQGKTN-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000575927564 316076549 /nfs/dbraw/zinc/07/65/49/316076549.db2.gz HFEHMTZUNABHHP-QZTJIDSGSA-N 2 2 322.880 3.116 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CCC1 ZINC000576089753 316093448 /nfs/dbraw/zinc/09/34/48/316093448.db2.gz CHDNHIKVYINZON-UHFFFAOYSA-N 2 2 324.472 3.196 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169362 316102831 /nfs/dbraw/zinc/10/28/31/316102831.db2.gz HGVVRJYSUTVLKK-VHSXEESVSA-N 2 2 323.239 3.096 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169362 316102837 /nfs/dbraw/zinc/10/28/37/316102837.db2.gz HGVVRJYSUTVLKK-VHSXEESVSA-N 2 2 323.239 3.096 20 0 DGADLP c1cn(CC[NH+]2CCC(c3ccnc4ccccc43)CC2)c[nH+]1 ZINC000576834344 316173588 /nfs/dbraw/zinc/17/35/88/316173588.db2.gz JOTZIYHLMGUIJB-UHFFFAOYSA-N 2 2 306.413 3.311 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3CCCCCC3)c2cc1C ZINC000577709490 316261767 /nfs/dbraw/zinc/26/17/67/316261767.db2.gz ZFWUMQGRIRZMDO-QGZVFWFLSA-N 2 2 315.461 3.326 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000578135158 316306188 /nfs/dbraw/zinc/30/61/88/316306188.db2.gz SWNBDNACRPJZJU-INIZCTEOSA-N 2 2 315.486 3.099 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000578135158 316306193 /nfs/dbraw/zinc/30/61/93/316306193.db2.gz SWNBDNACRPJZJU-INIZCTEOSA-N 2 2 315.486 3.099 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000181471408 323255556 /nfs/dbraw/zinc/25/55/56/323255556.db2.gz GFLKOYJIFPRRIV-ROUUACIJSA-N 2 2 313.445 3.225 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C12CCC2 ZINC000181569078 323259385 /nfs/dbraw/zinc/25/93/85/323259385.db2.gz XGBDVYKVSBXDCJ-MSOLQXFVSA-N 2 2 311.429 3.310 20 0 DGADLP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C2CCCCC2)n1 ZINC000182999314 323319426 /nfs/dbraw/zinc/31/94/26/323319426.db2.gz RQUNBRFWDUDDMI-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C2CCCCC2)n1 ZINC000182999314 323319427 /nfs/dbraw/zinc/31/94/27/323319427.db2.gz RQUNBRFWDUDDMI-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C2CCCCC2)n1 ZINC000182999314 323319429 /nfs/dbraw/zinc/31/94/29/323319429.db2.gz RQUNBRFWDUDDMI-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C2CCCCC2)n1 ZINC000182999314 323319430 /nfs/dbraw/zinc/31/94/30/323319430.db2.gz RQUNBRFWDUDDMI-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CCC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccnc1 ZINC000184914160 323377421 /nfs/dbraw/zinc/37/74/21/323377421.db2.gz XFKFXCUJFSEJPK-NUJGCVRESA-N 2 2 305.466 3.012 20 0 DGADLP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000578217080 323702717 /nfs/dbraw/zinc/70/27/17/323702717.db2.gz XQVPVJQCEJOMQU-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580647774 324022243 /nfs/dbraw/zinc/02/22/43/324022243.db2.gz WDZALOXKSVOACJ-HNNXBMFYSA-N 2 2 314.351 3.161 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580647774 324022247 /nfs/dbraw/zinc/02/22/47/324022247.db2.gz WDZALOXKSVOACJ-HNNXBMFYSA-N 2 2 314.351 3.161 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000580771622 324037203 /nfs/dbraw/zinc/03/72/03/324037203.db2.gz QBQFMCKGCQAWII-ZWKOTPCHSA-N 2 2 318.367 3.331 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000581318867 324105184 /nfs/dbraw/zinc/10/51/84/324105184.db2.gz KKNBEWKMMIGENJ-SFHVURJKSA-N 2 2 320.452 3.028 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]Cc1ccnc2ccccc12 ZINC000581654859 324141158 /nfs/dbraw/zinc/14/11/58/324141158.db2.gz VXLWAOWWEXJCFM-FQEVSTJZSA-N 2 2 303.409 3.211 20 0 DGADLP COc1cccc2c1cc[nH+]c2NCc1c[nH+]c2n1CCCC2 ZINC000581865440 324160955 /nfs/dbraw/zinc/16/09/55/324160955.db2.gz BSRHCIZSQLGFDN-UHFFFAOYSA-N 2 2 308.385 3.388 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000581951803 324171949 /nfs/dbraw/zinc/17/19/49/324171949.db2.gz NSMHBNVZDJNSPY-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000581951803 324171952 /nfs/dbraw/zinc/17/19/52/324171952.db2.gz NSMHBNVZDJNSPY-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000582804160 324278298 /nfs/dbraw/zinc/27/82/98/324278298.db2.gz IDTGVFKTCNDMPG-UKRRQHHQSA-N 2 2 300.368 3.493 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000583211911 324327230 /nfs/dbraw/zinc/32/72/30/324327230.db2.gz HEXRXWRCATVZEJ-WCBMZHEXSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000583211911 324327232 /nfs/dbraw/zinc/32/72/32/324327232.db2.gz HEXRXWRCATVZEJ-WCBMZHEXSA-N 2 2 303.269 3.131 20 0 DGADLP CCc1ccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000584634785 337374679 /nfs/dbraw/zinc/37/46/79/337374679.db2.gz LMFJPSAFEDSMHY-HXUWFJFHSA-N 2 2 309.457 3.398 20 0 DGADLP CCc1ccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000584634785 337374680 /nfs/dbraw/zinc/37/46/80/337374680.db2.gz LMFJPSAFEDSMHY-HXUWFJFHSA-N 2 2 309.457 3.398 20 0 DGADLP CC(C)(C)C1CC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000436469053 500594509 /nfs/dbraw/zinc/59/45/09/500594509.db2.gz SWGLZDBZSXZRCW-UHFFFAOYSA-N 2 2 316.489 3.433 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC000292739636 533823226 /nfs/dbraw/zinc/82/32/26/533823226.db2.gz HFAGTYGUTJUIPF-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(C)C ZINC000292739636 533823234 /nfs/dbraw/zinc/82/32/34/533823234.db2.gz HFAGTYGUTJUIPF-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC(C)C ZINC000292739636 533823236 /nfs/dbraw/zinc/82/32/36/533823236.db2.gz HFAGTYGUTJUIPF-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC(C)C ZINC000292739636 533823243 /nfs/dbraw/zinc/82/32/43/533823243.db2.gz HFAGTYGUTJUIPF-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP C[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000435054105 533863256 /nfs/dbraw/zinc/86/32/56/533863256.db2.gz ALKKRMJWIPPZAI-KBXCAEBGSA-N 2 2 300.377 3.478 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000435054105 533863263 /nfs/dbraw/zinc/86/32/63/533863263.db2.gz ALKKRMJWIPPZAI-KBXCAEBGSA-N 2 2 300.377 3.478 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000323491782 533884596 /nfs/dbraw/zinc/88/45/96/533884596.db2.gz SKNFQFABBDZDPD-BBWFWOEESA-N 2 2 313.445 3.322 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295576134 534066704 /nfs/dbraw/zinc/06/67/04/534066704.db2.gz BDEVVLMCJMGULF-FZMZJTMJSA-N 2 2 307.850 3.367 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026694 534106670 /nfs/dbraw/zinc/10/66/70/534106670.db2.gz UQJWKQIGJQNQSJ-CGBFIWBNSA-N 3 2 315.505 3.177 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026694 534106678 /nfs/dbraw/zinc/10/66/78/534106678.db2.gz UQJWKQIGJQNQSJ-CGBFIWBNSA-N 3 2 315.505 3.177 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000433032620 534135411 /nfs/dbraw/zinc/13/54/11/534135411.db2.gz MOAPKPCMTCLTBO-AYOQOUSVSA-N 2 2 322.452 3.285 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000433032620 534135422 /nfs/dbraw/zinc/13/54/22/534135422.db2.gz MOAPKPCMTCLTBO-AYOQOUSVSA-N 2 2 322.452 3.285 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@H]1C[NH3+] ZINC000430592860 534176034 /nfs/dbraw/zinc/17/60/34/534176034.db2.gz IINKZFPGYFSEAW-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@H]1C[NH3+] ZINC000430592860 534176040 /nfs/dbraw/zinc/17/60/40/534176040.db2.gz IINKZFPGYFSEAW-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)s2)o1 ZINC000430154142 534216119 /nfs/dbraw/zinc/21/61/19/534216119.db2.gz WOKJXRLLLARDMX-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)s2)o1 ZINC000430154142 534216123 /nfs/dbraw/zinc/21/61/23/534216123.db2.gz WOKJXRLLLARDMX-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)s2)o1 ZINC000430154142 534216129 /nfs/dbraw/zinc/21/61/29/534216129.db2.gz WOKJXRLLLARDMX-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)s2)o1 ZINC000430154142 534216130 /nfs/dbraw/zinc/21/61/30/534216130.db2.gz WOKJXRLLLARDMX-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)s2)o1 ZINC000430154144 534216612 /nfs/dbraw/zinc/21/66/12/534216612.db2.gz WOKJXRLLLARDMX-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)s2)o1 ZINC000430154144 534216615 /nfs/dbraw/zinc/21/66/15/534216615.db2.gz WOKJXRLLLARDMX-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)s2)o1 ZINC000430154144 534216618 /nfs/dbraw/zinc/21/66/18/534216618.db2.gz WOKJXRLLLARDMX-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)s2)o1 ZINC000430154144 534216622 /nfs/dbraw/zinc/21/66/22/534216622.db2.gz WOKJXRLLLARDMX-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP O[C@H](C[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743834 534432703 /nfs/dbraw/zinc/43/27/03/534432703.db2.gz UEMWMFGECCPZCF-JKSUJKDBSA-N 2 2 319.474 3.313 20 0 DGADLP O[C@H](C[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743834 534432712 /nfs/dbraw/zinc/43/27/12/534432712.db2.gz UEMWMFGECCPZCF-JKSUJKDBSA-N 2 2 319.474 3.313 20 0 DGADLP c1ccc(COCc2ccccc2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415084095 534490210 /nfs/dbraw/zinc/49/02/10/534490210.db2.gz QYPNLQBYRAAREQ-HXUWFJFHSA-N 2 2 310.441 3.245 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCC3)cc1F ZINC000423365473 534490975 /nfs/dbraw/zinc/49/09/75/534490975.db2.gz KFGPYLUGXIYNIH-IAOVAPTHSA-N 2 2 306.400 3.333 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cs2)c1 ZINC000415077528 534512711 /nfs/dbraw/zinc/51/27/11/534512711.db2.gz FJWDRHDUQDBRKV-QLFBSQMISA-N 2 2 317.458 3.413 20 0 DGADLP CCC[N@H+](Cc1ccc(Cl)c2cccnc12)[C@@H]1CC[NH2+]C1 ZINC000157542845 521683857 /nfs/dbraw/zinc/68/38/57/521683857.db2.gz CJHBVYNFWXHDOF-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@@H]1CC[NH2+]C1 ZINC000157542845 521683861 /nfs/dbraw/zinc/68/38/61/521683861.db2.gz CJHBVYNFWXHDOF-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP Cc1nc(N2CCC(CCC[NH+](C)C)CC2)c2c([nH+]1)CCCC2 ZINC000302086430 534620655 /nfs/dbraw/zinc/62/06/55/534620655.db2.gz KRTJSSKTCKLWMP-UHFFFAOYSA-N 2 2 316.493 3.222 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604841 534643416 /nfs/dbraw/zinc/64/34/16/534643416.db2.gz OMFYXRMXNNOKAE-CVEARBPZSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604841 534643422 /nfs/dbraw/zinc/64/34/22/534643422.db2.gz OMFYXRMXNNOKAE-CVEARBPZSA-N 2 2 317.477 3.116 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+](C)C)cc1 ZINC000157460940 524029044 /nfs/dbraw/zinc/02/90/44/524029044.db2.gz HVPTZDVEQXBTEC-QFBILLFUSA-N 2 2 314.477 3.117 20 0 DGADLP C[C@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154822897 525675201 /nfs/dbraw/zinc/67/52/01/525675201.db2.gz KGRVHRUVWROWCY-ZBEGNZNMSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154822897 525675211 /nfs/dbraw/zinc/67/52/11/525675211.db2.gz KGRVHRUVWROWCY-ZBEGNZNMSA-N 2 2 305.809 3.019 20 0 DGADLP Brc1cccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCC2)c1 ZINC000415078084 526646151 /nfs/dbraw/zinc/64/61/51/526646151.db2.gz IFJLHVXTXKEJSW-HNNXBMFYSA-N 2 2 323.278 3.212 20 0 DGADLP Brc1sccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298150054 526654568 /nfs/dbraw/zinc/65/45/68/526654568.db2.gz RMUHWOTXGQETHL-UHFFFAOYSA-N 2 2 315.280 3.227 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000157626177 527310419 /nfs/dbraw/zinc/31/04/19/527310419.db2.gz JNPYBJFDAROHJZ-DKICVRJWSA-N 2 2 324.472 3.265 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000157626177 527310421 /nfs/dbraw/zinc/31/04/21/527310421.db2.gz JNPYBJFDAROHJZ-DKICVRJWSA-N 2 2 324.472 3.265 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000415036444 527792332 /nfs/dbraw/zinc/79/23/32/527792332.db2.gz JVTLYTXPKOJCFP-LBPRGKRZSA-N 2 2 317.658 3.333 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000415047293 527795592 /nfs/dbraw/zinc/79/55/92/527795592.db2.gz VYWCOXYJFYZCRW-LJQANCHMSA-N 2 2 320.440 3.256 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430580204 527943274 /nfs/dbraw/zinc/94/32/74/527943274.db2.gz LLRBVFUCVCNGCL-INIZCTEOSA-N 2 2 307.825 3.458 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+](C)CC(C)(C)C[NH3+])n2)cc1 ZINC000430601523 528053395 /nfs/dbraw/zinc/05/33/95/528053395.db2.gz ZUUXDQUAGMNWPX-UHFFFAOYSA-N 2 2 316.449 3.277 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+](C)CC(C)(C)C[NH3+])n2)cc1 ZINC000430601523 528053401 /nfs/dbraw/zinc/05/34/01/528053401.db2.gz ZUUXDQUAGMNWPX-UHFFFAOYSA-N 2 2 316.449 3.277 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430123863 528178944 /nfs/dbraw/zinc/17/89/44/528178944.db2.gz MRDBFFDHBIGEOK-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430123863 528178946 /nfs/dbraw/zinc/17/89/46/528178946.db2.gz MRDBFFDHBIGEOK-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430123863 528178950 /nfs/dbraw/zinc/17/89/50/528178950.db2.gz MRDBFFDHBIGEOK-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430123863 528178954 /nfs/dbraw/zinc/17/89/54/528178954.db2.gz MRDBFFDHBIGEOK-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1 ZINC000299523454 528188312 /nfs/dbraw/zinc/18/83/12/528188312.db2.gz XBXVUUFVHUKPDO-UHFFFAOYSA-N 2 2 313.401 3.184 20 0 DGADLP CC1CC[NH+](CCCCNc2[nH+]c3cccc(F)c3n2C)CC1 ZINC000443519530 528232705 /nfs/dbraw/zinc/23/27/05/528232705.db2.gz OEHBQBRBTKQDAJ-UHFFFAOYSA-N 2 2 318.440 3.058 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423242811 528333344 /nfs/dbraw/zinc/33/33/44/528333344.db2.gz JIJVDAGUTSMTSD-GFCCVEGCSA-N 2 2 303.269 3.161 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Cl ZINC000423108982 528460404 /nfs/dbraw/zinc/46/04/04/528460404.db2.gz SABMHEQFRKYJDF-NSHDSACASA-N 2 2 305.809 3.397 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309800945 528569284 /nfs/dbraw/zinc/56/92/84/528569284.db2.gz JXCDILBGKULVIZ-GOSISDBHSA-N 2 2 304.478 3.303 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309800945 528569287 /nfs/dbraw/zinc/56/92/87/528569287.db2.gz JXCDILBGKULVIZ-GOSISDBHSA-N 2 2 304.478 3.303 20 0 DGADLP CCOc1ccc(Oc2cc(C[NH2+]CC(C)(C)[NH3+])ccn2)cc1 ZINC000415098008 528572463 /nfs/dbraw/zinc/57/24/63/528572463.db2.gz DUAYOKLQFKKAIT-UHFFFAOYSA-N 2 2 315.417 3.100 20 0 DGADLP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc2ccccc2c1 ZINC000431091571 528882324 /nfs/dbraw/zinc/88/23/24/528882324.db2.gz SWAUFIXKNLDASC-UHFFFAOYSA-N 2 2 324.428 3.439 20 0 DGADLP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc2ccccc2c1 ZINC000431091571 528882330 /nfs/dbraw/zinc/88/23/30/528882330.db2.gz SWAUFIXKNLDASC-UHFFFAOYSA-N 2 2 324.428 3.439 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442852212 528937710 /nfs/dbraw/zinc/93/77/10/528937710.db2.gz FXNAECFKVKFKTH-OAHLLOKOSA-N 2 2 311.473 3.347 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442852212 528937717 /nfs/dbraw/zinc/93/77/17/528937717.db2.gz FXNAECFKVKFKTH-OAHLLOKOSA-N 2 2 311.473 3.347 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000294420450 528987321 /nfs/dbraw/zinc/98/73/21/528987321.db2.gz OEUWLFNWZVWBHB-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2[nH+]1 ZINC000435073534 529045888 /nfs/dbraw/zinc/04/58/88/529045888.db2.gz NIQLRUTZUKXSJV-GOSISDBHSA-N 2 2 314.433 3.234 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000434682069 529087482 /nfs/dbraw/zinc/08/74/82/529087482.db2.gz ASUJFQOFZVDPRX-AWEZNQCLSA-N 2 2 314.433 3.416 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000430804775 529087603 /nfs/dbraw/zinc/08/76/03/529087603.db2.gz BBYADNMUIPQMAE-AWEZNQCLSA-N 2 2 314.433 3.144 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422966653 529187537 /nfs/dbraw/zinc/18/75/37/529187537.db2.gz ROULVASHSSDJFB-SJORKVTESA-N 2 2 303.450 3.023 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092143 529256876 /nfs/dbraw/zinc/25/68/76/529256876.db2.gz YTVSDSLGBAWRHH-AWEZNQCLSA-N 2 2 302.422 3.237 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092143 529256878 /nfs/dbraw/zinc/25/68/78/529256878.db2.gz YTVSDSLGBAWRHH-AWEZNQCLSA-N 2 2 302.422 3.237 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H]1Sc1ccccc1 ZINC000459389078 535409278 /nfs/dbraw/zinc/40/92/78/535409278.db2.gz QFMKTGNCRHFFLV-VDHUWJSZSA-N 2 2 320.502 3.009 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H]1Sc1ccccc1 ZINC000459389078 535409286 /nfs/dbraw/zinc/40/92/86/535409286.db2.gz QFMKTGNCRHFFLV-VDHUWJSZSA-N 2 2 320.502 3.009 20 0 DGADLP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449638902 535815268 /nfs/dbraw/zinc/81/52/68/535815268.db2.gz MUMQQJRKMHDPEW-QZTJIDSGSA-N 2 2 324.896 3.444 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459422350 535819829 /nfs/dbraw/zinc/81/98/29/535819829.db2.gz XUXRBXUZIQRIML-MRXNPFEDSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459422350 535819830 /nfs/dbraw/zinc/81/98/30/535819830.db2.gz XUXRBXUZIQRIML-MRXNPFEDSA-N 3 2 307.526 3.103 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000472772473 536354576 /nfs/dbraw/zinc/35/45/76/536354576.db2.gz OPTNZQIUDJQTNR-QGZVFWFLSA-N 2 2 321.896 3.336 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000472772473 536354577 /nfs/dbraw/zinc/35/45/77/536354577.db2.gz OPTNZQIUDJQTNR-QGZVFWFLSA-N 2 2 321.896 3.336 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673079 545675959 /nfs/dbraw/zinc/67/59/59/545675959.db2.gz HJTXQHLSVIPXQO-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673079 545675963 /nfs/dbraw/zinc/67/59/63/545675963.db2.gz HJTXQHLSVIPXQO-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C[C@H](C)O ZINC000090187063 545824023 /nfs/dbraw/zinc/82/40/23/545824023.db2.gz ZGSBDHOLUNJBNT-SOLBZPMBSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[C@H](C)O ZINC000090187063 545824028 /nfs/dbraw/zinc/82/40/28/545824028.db2.gz ZGSBDHOLUNJBNT-SOLBZPMBSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@@H](C)O1 ZINC000120980997 545892230 /nfs/dbraw/zinc/89/22/30/545892230.db2.gz NRYQFJDJEJDGHG-SNUQEOBHSA-N 2 2 324.415 3.041 20 0 DGADLP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123436531 545906186 /nfs/dbraw/zinc/90/61/86/545906186.db2.gz ZLHNWDMZQHRYLX-KOHRHEQBSA-N 2 2 313.445 3.464 20 0 DGADLP Cc1nc(C2([NH2+]CCCn3cc[nH+]c3C)CCCCCC2)no1 ZINC000127423478 545929827 /nfs/dbraw/zinc/92/98/27/545929827.db2.gz ORXBXAHCUNILTO-UHFFFAOYSA-N 2 2 317.437 3.112 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151189410 545991799 /nfs/dbraw/zinc/99/17/99/545991799.db2.gz XDKJHGXIRICERE-CYBMUJFWSA-N 2 2 303.356 3.243 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000155524472 546028951 /nfs/dbraw/zinc/02/89/51/546028951.db2.gz IAFAHBSRNQCHLA-SJLPKXTDSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000155524472 546028953 /nfs/dbraw/zinc/02/89/53/546028953.db2.gz IAFAHBSRNQCHLA-SJLPKXTDSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3cnn(C(C)C)c3)[nH+]c12 ZINC000156344727 546033281 /nfs/dbraw/zinc/03/32/81/546033281.db2.gz JTHXYAIGCIAPOZ-OAHLLOKOSA-N 2 2 311.433 3.313 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000163677425 546083108 /nfs/dbraw/zinc/08/31/08/546083108.db2.gz SHOIXFDBYFLKPD-MRXNPFEDSA-N 2 2 304.478 3.401 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000163690431 546083448 /nfs/dbraw/zinc/08/34/48/546083448.db2.gz IRDMJOHDWRUHEF-LJQANCHMSA-N 2 2 322.468 3.093 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000163742216 546084406 /nfs/dbraw/zinc/08/44/06/546084406.db2.gz SNHYFZCGVHNSEE-QGZVFWFLSA-N 2 2 304.478 3.373 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCc3ccc(C)cc32)CC1 ZINC000166797137 546096422 /nfs/dbraw/zinc/09/64/22/546096422.db2.gz PVSUCTYZSMGOQI-IBGZPJMESA-N 2 2 302.462 3.073 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3[nH+]ccn31)CCO2 ZINC000187546023 546200566 /nfs/dbraw/zinc/20/05/66/546200566.db2.gz FKLKCSUTVBPUSY-KRWDZBQOSA-N 2 2 323.396 3.346 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C[C@H](C)O1 ZINC000245657469 546298715 /nfs/dbraw/zinc/29/87/15/546298715.db2.gz FQOQBXZSYSDKRC-QDMKHBRRSA-N 2 2 301.434 3.052 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251652723 546329825 /nfs/dbraw/zinc/32/98/25/546329825.db2.gz GOXSAVAESOGGHO-BXUZGUMPSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251652723 546329830 /nfs/dbraw/zinc/32/98/30/546329830.db2.gz GOXSAVAESOGGHO-BXUZGUMPSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251540387 546330164 /nfs/dbraw/zinc/33/01/64/546330164.db2.gz ASBYYGQYGNVDAP-SMDDNHRTSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251540387 546330167 /nfs/dbraw/zinc/33/01/67/546330167.db2.gz ASBYYGQYGNVDAP-SMDDNHRTSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251652725 546330281 /nfs/dbraw/zinc/33/02/81/546330281.db2.gz GOXSAVAESOGGHO-SMDDNHRTSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251652725 546330284 /nfs/dbraw/zinc/33/02/84/546330284.db2.gz GOXSAVAESOGGHO-SMDDNHRTSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000251885306 546330552 /nfs/dbraw/zinc/33/05/52/546330552.db2.gz VNSXSLJBXDTTAG-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000251885306 546330555 /nfs/dbraw/zinc/33/05/55/546330555.db2.gz VNSXSLJBXDTTAG-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](C)c1[nH]cc[nH+]1)Cc1ccccc1 ZINC000285604389 546398959 /nfs/dbraw/zinc/39/89/59/546398959.db2.gz JXXQHMPVDXCKIH-WBVHZDCISA-N 2 2 300.450 3.013 20 0 DGADLP CC[NH+]1CCN(c2ccc(N[C@@H](C)c3[nH]cc[nH+]3)c(C)c2)CC1 ZINC000286063568 546401138 /nfs/dbraw/zinc/40/11/38/546401138.db2.gz KTEYYDWJKREPIM-HNNXBMFYSA-N 2 2 313.449 3.033 20 0 DGADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCn2c[nH+]cc2C1 ZINC000290655780 546416476 /nfs/dbraw/zinc/41/64/76/546416476.db2.gz JDYDDIKIAHAGNB-UHFFFAOYSA-N 2 2 318.302 3.470 20 0 DGADLP OCC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000303388274 546439950 /nfs/dbraw/zinc/43/99/50/546439950.db2.gz BVSHSCDKYQPPGK-IBGZPJMESA-N 2 2 316.489 3.183 20 0 DGADLP OCC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000303388274 546439954 /nfs/dbraw/zinc/43/99/54/546439954.db2.gz BVSHSCDKYQPPGK-IBGZPJMESA-N 2 2 316.489 3.183 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc[nH+]1 ZINC000309921689 546451665 /nfs/dbraw/zinc/45/16/65/546451665.db2.gz RCFUEEGXWXQJGI-RCCFBDPRSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc[nH+]1 ZINC000309921689 546451667 /nfs/dbraw/zinc/45/16/67/546451667.db2.gz RCFUEEGXWXQJGI-RCCFBDPRSA-N 2 2 308.429 3.108 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000319644968 546465512 /nfs/dbraw/zinc/46/55/12/546465512.db2.gz QVDHQKRZVKUTGV-YLJYHZDGSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000319644961 546465528 /nfs/dbraw/zinc/46/55/28/546465528.db2.gz QVDHQKRZVKUTGV-FXAWDEMLSA-N 3 2 315.505 3.143 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350762238 546622775 /nfs/dbraw/zinc/62/27/75/546622775.db2.gz HOSGYQJMFQALIP-KRWDZBQOSA-N 2 2 324.472 3.102 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350762238 546622782 /nfs/dbraw/zinc/62/27/82/546622782.db2.gz HOSGYQJMFQALIP-KRWDZBQOSA-N 2 2 324.472 3.102 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350762238 546622786 /nfs/dbraw/zinc/62/27/86/546622786.db2.gz HOSGYQJMFQALIP-KRWDZBQOSA-N 2 2 324.472 3.102 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350762238 546622794 /nfs/dbraw/zinc/62/27/94/546622794.db2.gz HOSGYQJMFQALIP-KRWDZBQOSA-N 2 2 324.472 3.102 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658805 546734781 /nfs/dbraw/zinc/73/47/81/546734781.db2.gz XJWMPEXOHNGJFO-FUHWJXTLSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658805 546734787 /nfs/dbraw/zinc/73/47/87/546734787.db2.gz XJWMPEXOHNGJFO-FUHWJXTLSA-N 2 2 312.461 3.046 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000401163452 546764768 /nfs/dbraw/zinc/76/47/68/546764768.db2.gz PIOMCXIUEYNDKL-GHTZIAJQSA-N 2 2 323.484 3.351 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000401163452 546764772 /nfs/dbraw/zinc/76/47/72/546764772.db2.gz PIOMCXIUEYNDKL-GHTZIAJQSA-N 2 2 323.484 3.351 20 0 DGADLP COc1cc2[nH+]ccc(NCCc3cccc(C)[nH+]3)c2cc1OC ZINC000413274126 546776535 /nfs/dbraw/zinc/77/65/35/546776535.db2.gz VSJUKSUDAVBUOG-UHFFFAOYSA-N 2 2 323.396 3.032 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414933363 546791118 /nfs/dbraw/zinc/79/11/18/546791118.db2.gz WUJIZJFJCJFTJY-DOTOQJQBSA-N 3 2 321.896 3.164 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453347906 546859992 /nfs/dbraw/zinc/85/99/92/546859992.db2.gz GBEVHXYLBSZQAZ-IPELMVKDSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453347906 546859993 /nfs/dbraw/zinc/85/99/93/546859993.db2.gz GBEVHXYLBSZQAZ-IPELMVKDSA-N 2 2 312.461 3.389 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000608495098 547041307 /nfs/dbraw/zinc/04/13/07/547041307.db2.gz HPGHHMOSRHGOMJ-HNNXBMFYSA-N 2 2 317.458 3.321 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000608495098 547041310 /nfs/dbraw/zinc/04/13/10/547041310.db2.gz HPGHHMOSRHGOMJ-HNNXBMFYSA-N 2 2 317.458 3.321 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)CCCOc2ccc(Cl)cc2)n1C ZINC000667533777 547214157 /nfs/dbraw/zinc/21/41/57/547214157.db2.gz ACYDXXDYHHJGEW-UHFFFAOYSA-N 2 2 307.825 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)n1C ZINC000667533777 547214161 /nfs/dbraw/zinc/21/41/61/547214161.db2.gz ACYDXXDYHHJGEW-UHFFFAOYSA-N 2 2 307.825 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)n1C ZINC000667564578 547228036 /nfs/dbraw/zinc/22/80/36/547228036.db2.gz QUYLOZNMHRSMFU-UHFFFAOYSA-N 2 2 324.428 3.448 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)n1C ZINC000667564578 547228041 /nfs/dbraw/zinc/22/80/41/547228041.db2.gz QUYLOZNMHRSMFU-UHFFFAOYSA-N 2 2 324.428 3.448 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000667567009 547229597 /nfs/dbraw/zinc/22/95/97/547229597.db2.gz NLUWXBICIULWFS-PKOBYXMFSA-N 2 2 313.445 3.328 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000667567009 547229602 /nfs/dbraw/zinc/22/96/02/547229602.db2.gz NLUWXBICIULWFS-PKOBYXMFSA-N 2 2 313.445 3.328 20 0 DGADLP Cc1cccc(NC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000667664004 547264899 /nfs/dbraw/zinc/26/48/99/547264899.db2.gz ADLORHQWOVNSPU-UHFFFAOYSA-N 2 2 310.445 3.214 20 0 DGADLP Clc1ccccc1O[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667685521 547274364 /nfs/dbraw/zinc/27/43/64/547274364.db2.gz CHYRAQGVIQKGHT-AWEZNQCLSA-N 2 2 317.820 3.136 20 0 DGADLP Clc1ccccc1O[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667685521 547274365 /nfs/dbraw/zinc/27/43/65/547274365.db2.gz CHYRAQGVIQKGHT-AWEZNQCLSA-N 2 2 317.820 3.136 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)n1C ZINC000667997206 547357163 /nfs/dbraw/zinc/35/71/63/547357163.db2.gz JVGIZDRBTZEJCT-UHFFFAOYSA-N 2 2 319.399 3.461 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000668110545 547387102 /nfs/dbraw/zinc/38/71/02/547387102.db2.gz IWNJZYDXMPSHAZ-CYBMUJFWSA-N 2 2 301.356 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1C ZINC000668110545 547387106 /nfs/dbraw/zinc/38/71/06/547387106.db2.gz IWNJZYDXMPSHAZ-CYBMUJFWSA-N 2 2 301.356 3.283 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000668169636 547400996 /nfs/dbraw/zinc/40/09/96/547400996.db2.gz WPADZORIKCUHLF-CQSZACIVSA-N 2 2 315.392 3.090 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000668169636 547401000 /nfs/dbraw/zinc/40/10/00/547401000.db2.gz WPADZORIKCUHLF-CQSZACIVSA-N 2 2 315.392 3.090 20 0 DGADLP Cc1cccc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000668230298 547423323 /nfs/dbraw/zinc/42/33/23/547423323.db2.gz LSJMDFUMIBTQBH-UHFFFAOYSA-N 2 2 318.424 3.250 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1C ZINC000668239162 547426063 /nfs/dbraw/zinc/42/60/63/547426063.db2.gz IAJCJQNOMZJCEN-SFHVURJKSA-N 2 2 311.429 3.082 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)n1C ZINC000668239162 547426067 /nfs/dbraw/zinc/42/60/67/547426067.db2.gz IAJCJQNOMZJCEN-SFHVURJKSA-N 2 2 311.429 3.082 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)n1C ZINC000668241462 547427041 /nfs/dbraw/zinc/42/70/41/547427041.db2.gz JAELJXBMIUOEOF-HNNXBMFYSA-N 2 2 305.372 3.214 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)n1C ZINC000668241462 547427042 /nfs/dbraw/zinc/42/70/42/547427042.db2.gz JAELJXBMIUOEOF-HNNXBMFYSA-N 2 2 305.372 3.214 20 0 DGADLP Fc1ccc(F)c(C[C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000668241505 547427067 /nfs/dbraw/zinc/42/70/67/547427067.db2.gz JPEUEJQMSRFQKH-HNNXBMFYSA-N 2 2 317.383 3.315 20 0 DGADLP Fc1ccc(F)c(C[C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000668241505 547427069 /nfs/dbraw/zinc/42/70/69/547427069.db2.gz JPEUEJQMSRFQKH-HNNXBMFYSA-N 2 2 317.383 3.315 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2COc3cc(F)ccc3C2)c[nH+]1 ZINC000668587063 547486035 /nfs/dbraw/zinc/48/60/35/547486035.db2.gz ITZGSQVSHCVKDT-QGZVFWFLSA-N 2 2 300.377 3.055 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)s1 ZINC000668741549 547527948 /nfs/dbraw/zinc/52/79/48/547527948.db2.gz UGFBTOXMSKXHBW-OAHLLOKOSA-N 2 2 322.518 3.077 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)s1 ZINC000668741549 547527956 /nfs/dbraw/zinc/52/79/56/547527956.db2.gz UGFBTOXMSKXHBW-OAHLLOKOSA-N 2 2 322.518 3.077 20 0 DGADLP Cc1ccc(CCC[NH2+]CC2CC[NH+](CC3CC3)CC2)c[nH+]1 ZINC000668783261 547539991 /nfs/dbraw/zinc/53/99/91/547539991.db2.gz MLYJKTPWWLOHAB-UHFFFAOYSA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694617 547673461 /nfs/dbraw/zinc/67/34/61/547673461.db2.gz DBQZENKSVWHLDL-MRXNPFEDSA-N 2 2 310.445 3.302 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000669694617 547673462 /nfs/dbraw/zinc/67/34/62/547673462.db2.gz DBQZENKSVWHLDL-MRXNPFEDSA-N 2 2 310.445 3.302 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000669699883 547674591 /nfs/dbraw/zinc/67/45/91/547674591.db2.gz SVBOPRIYEVMMPK-OALUTQOASA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000669699883 547674595 /nfs/dbraw/zinc/67/45/95/547674595.db2.gz SVBOPRIYEVMMPK-OALUTQOASA-N 2 2 314.473 3.200 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986098 547767202 /nfs/dbraw/zinc/76/72/02/547767202.db2.gz QANCNXKUCLUXEX-GDBMZVCRSA-N 2 2 324.415 3.213 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986098 547767198 /nfs/dbraw/zinc/76/71/98/547767198.db2.gz QANCNXKUCLUXEX-GDBMZVCRSA-N 2 2 324.415 3.213 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671240653 547779165 /nfs/dbraw/zinc/77/91/65/547779165.db2.gz HFLIHJDILIBOBQ-GOEBONIOSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671240653 547779167 /nfs/dbraw/zinc/77/91/67/547779167.db2.gz HFLIHJDILIBOBQ-GOEBONIOSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000672620859 547896271 /nfs/dbraw/zinc/89/62/71/547896271.db2.gz QJCFEZABOHBTQZ-CZUORRHYSA-N 2 2 312.404 3.465 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H](C)[NH+](C)C)cc3)[nH+]c12 ZINC000674245489 548051149 /nfs/dbraw/zinc/05/11/49/548051149.db2.gz NQUZDQHSCNQVMK-AWEZNQCLSA-N 2 2 322.412 3.198 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](CC(C)C)c2ccccc2)CC1 ZINC000674376527 548072751 /nfs/dbraw/zinc/07/27/51/548072751.db2.gz YQASBZFZAITBPP-LJQANCHMSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548990 548232349 /nfs/dbraw/zinc/23/23/49/548232349.db2.gz DBSIVQYZVANRQW-SFHVURJKSA-N 2 2 310.445 3.113 20 0 DGADLP Cc1nc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548990 548232351 /nfs/dbraw/zinc/23/23/51/548232351.db2.gz DBSIVQYZVANRQW-SFHVURJKSA-N 2 2 310.445 3.113 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766119 548266638 /nfs/dbraw/zinc/26/66/38/548266638.db2.gz UOMKDJPMKJLKBC-WFASDCNBSA-N 2 2 314.351 3.256 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766119 548266641 /nfs/dbraw/zinc/26/66/41/548266641.db2.gz UOMKDJPMKJLKBC-WFASDCNBSA-N 2 2 314.351 3.256 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000675768497 548266861 /nfs/dbraw/zinc/26/68/61/548266861.db2.gz YYNYKFCDYCQFEV-NWDGAFQWSA-N 2 2 302.340 3.330 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675834184 548280443 /nfs/dbraw/zinc/28/04/43/548280443.db2.gz RLACUJZGJWOXSX-OALUTQOASA-N 2 2 304.453 3.467 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834184 548280450 /nfs/dbraw/zinc/28/04/50/548280450.db2.gz RLACUJZGJWOXSX-OALUTQOASA-N 2 2 304.453 3.467 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000675895142 548286623 /nfs/dbraw/zinc/28/66/23/548286623.db2.gz ORXYRQUGARDVGG-ZDUSSCGKSA-N 2 2 314.433 3.002 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675919922 548291995 /nfs/dbraw/zinc/29/19/95/548291995.db2.gz PRBTWYVYHGLEGS-QAPCUYQASA-N 2 2 313.445 3.109 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000675924494 548294001 /nfs/dbraw/zinc/29/40/01/548294001.db2.gz KEMXEVMINKAHHA-BLLLJJGKSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000675924494 548294005 /nfs/dbraw/zinc/29/40/05/548294005.db2.gz KEMXEVMINKAHHA-BLLLJJGKSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929022 548294758 /nfs/dbraw/zinc/29/47/58/548294758.db2.gz XCIOTMQXGXSCIJ-HLIPFELVSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929022 548294762 /nfs/dbraw/zinc/29/47/62/548294762.db2.gz XCIOTMQXGXSCIJ-HLIPFELVSA-N 2 2 309.457 3.438 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)C(=O)Nc3ccccc3)n2c1 ZINC000676416433 548361711 /nfs/dbraw/zinc/36/17/11/548361711.db2.gz RGTNECBSOLKAEJ-UHFFFAOYSA-N 2 2 322.412 3.150 20 0 DGADLP Fc1ccccc1SCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477617 548367888 /nfs/dbraw/zinc/36/78/88/548367888.db2.gz JQCKMUVKLMSLRX-CQSZACIVSA-N 2 2 305.422 3.451 20 0 DGADLP Fc1ccccc1SCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477617 548367891 /nfs/dbraw/zinc/36/78/91/548367891.db2.gz JQCKMUVKLMSLRX-CQSZACIVSA-N 2 2 305.422 3.451 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000676496075 548369706 /nfs/dbraw/zinc/36/97/06/548369706.db2.gz FDJDVCBSEAQEPE-INIZCTEOSA-N 2 2 314.477 3.031 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000676496075 548369709 /nfs/dbraw/zinc/36/97/09/548369709.db2.gz FDJDVCBSEAQEPE-INIZCTEOSA-N 2 2 314.477 3.031 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000676571221 548382042 /nfs/dbraw/zinc/38/20/42/548382042.db2.gz BTCLMHBANBACGB-QXCFHYIPSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000676571221 548382045 /nfs/dbraw/zinc/38/20/45/548382045.db2.gz BTCLMHBANBACGB-QXCFHYIPSA-N 2 2 302.462 3.369 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749589 548550614 /nfs/dbraw/zinc/55/06/14/548550614.db2.gz PBDBWAIRIASYDA-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000677749589 548550616 /nfs/dbraw/zinc/55/06/16/548550616.db2.gz PBDBWAIRIASYDA-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000678217054 548641147 /nfs/dbraw/zinc/64/11/47/548641147.db2.gz LUPANYSODIOIOS-IAGOWNOFSA-N 2 2 300.446 3.113 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000678217054 548641153 /nfs/dbraw/zinc/64/11/53/548641153.db2.gz LUPANYSODIOIOS-IAGOWNOFSA-N 2 2 300.446 3.113 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000678217055 548641318 /nfs/dbraw/zinc/64/13/18/548641318.db2.gz LUPANYSODIOIOS-IRXDYDNUSA-N 2 2 300.446 3.113 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000678217055 548641320 /nfs/dbraw/zinc/64/13/20/548641320.db2.gz LUPANYSODIOIOS-IRXDYDNUSA-N 2 2 300.446 3.113 20 0 DGADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1-c1cccs1 ZINC000678343024 548684141 /nfs/dbraw/zinc/68/41/41/548684141.db2.gz KPXDKMQUCMVWTR-KBPBESRZSA-N 2 2 302.418 3.205 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)n1 ZINC000678411030 548696501 /nfs/dbraw/zinc/69/65/01/548696501.db2.gz GASMMPUXIBEIKQ-INIZCTEOSA-N 2 2 310.445 3.413 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)n1 ZINC000678413076 548697021 /nfs/dbraw/zinc/69/70/21/548697021.db2.gz DXFFCPUKWCKQRS-KRWDZBQOSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464116 548709688 /nfs/dbraw/zinc/70/96/88/548709688.db2.gz YNZPRSSNIYPOEZ-CABCVRRESA-N 2 2 300.406 3.181 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464116 548709695 /nfs/dbraw/zinc/70/96/95/548709695.db2.gz YNZPRSSNIYPOEZ-CABCVRRESA-N 2 2 300.406 3.181 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C(C)C)C3CC3)c2cc1C ZINC000678586914 548733300 /nfs/dbraw/zinc/73/33/00/548733300.db2.gz MDZOTIJDPYJMQF-APWZRJJASA-N 2 2 315.461 3.038 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000678774751 548762060 /nfs/dbraw/zinc/76/20/60/548762060.db2.gz PLMBRXLXDKFFRV-KRWDZBQOSA-N 2 2 312.404 3.116 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678833830 548775102 /nfs/dbraw/zinc/77/51/02/548775102.db2.gz QOJIHXVVBWHZPJ-AWEZNQCLSA-N 2 2 305.491 3.082 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678833830 548775108 /nfs/dbraw/zinc/77/51/08/548775108.db2.gz QOJIHXVVBWHZPJ-AWEZNQCLSA-N 2 2 305.491 3.082 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000678946149 548798871 /nfs/dbraw/zinc/79/88/71/548798871.db2.gz KYXARRVRTMDCFB-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000678946149 548798874 /nfs/dbraw/zinc/79/88/74/548798874.db2.gz KYXARRVRTMDCFB-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)[nH]1 ZINC000678975549 548804374 /nfs/dbraw/zinc/80/43/74/548804374.db2.gz YNAPKONXWZYBQD-UHFFFAOYSA-N 2 2 302.447 3.125 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045979 548822419 /nfs/dbraw/zinc/82/24/19/548822419.db2.gz YPVKINDJIBBQOG-JENIJYKNSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045979 548822421 /nfs/dbraw/zinc/82/24/21/548822421.db2.gz YPVKINDJIBBQOG-JENIJYKNSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042739 548822975 /nfs/dbraw/zinc/82/29/75/548822975.db2.gz CVHBMJQJYZGGDB-YZGWKJHDSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042739 548822979 /nfs/dbraw/zinc/82/29/79/548822979.db2.gz CVHBMJQJYZGGDB-YZGWKJHDSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CCCCO)c(C)c1 ZINC000679356798 548884806 /nfs/dbraw/zinc/88/48/06/548884806.db2.gz KEGYYRIODJRGMG-HKUYNNGSSA-N 2 2 315.461 3.382 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1CCCOC1 ZINC000679574385 548919447 /nfs/dbraw/zinc/91/94/47/548919447.db2.gz IAZVHEVUMPWHCB-CGTJXYLNSA-N 2 2 313.445 3.109 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679576386 548919854 /nfs/dbraw/zinc/91/98/54/548919854.db2.gz WYAJDUYNRZHRSO-ZDUSSCGKSA-N 2 2 315.383 3.457 20 0 DGADLP Cc1cnc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000679839691 548956066 /nfs/dbraw/zinc/95/60/66/548956066.db2.gz BLNSCOQUCOYREK-QGZVFWFLSA-N 2 2 310.401 3.327 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000679839690 548956271 /nfs/dbraw/zinc/95/62/71/548956271.db2.gz BLNSCOQUCOYREK-KRWDZBQOSA-N 2 2 310.401 3.327 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(CC)s2)CC1 ZINC000680046354 548986401 /nfs/dbraw/zinc/98/64/01/548986401.db2.gz WFNMAPGQPIFIBF-UHFFFAOYSA-N 2 2 310.511 3.044 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(CC)s2)CC1 ZINC000680046354 548986404 /nfs/dbraw/zinc/98/64/04/548986404.db2.gz WFNMAPGQPIFIBF-UHFFFAOYSA-N 2 2 310.511 3.044 20 0 DGADLP CCc1nnc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)s1 ZINC000680077282 548994657 /nfs/dbraw/zinc/99/46/57/548994657.db2.gz FVEVPPYDFKXRCP-UHFFFAOYSA-N 2 2 324.538 3.435 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682133045 549293445 /nfs/dbraw/zinc/29/34/45/549293445.db2.gz KMAKIGNKMLMYTE-UXHICEINSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000682133045 549293449 /nfs/dbraw/zinc/29/34/49/549293449.db2.gz KMAKIGNKMLMYTE-UXHICEINSA-N 2 2 316.489 3.302 20 0 DGADLP COC1CC[NH+](CC[NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000682162426 549299530 /nfs/dbraw/zinc/29/95/30/549299530.db2.gz QGNVQVYZYCDDSC-CQSZACIVSA-N 2 2 310.869 3.144 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000683006680 549413712 /nfs/dbraw/zinc/41/37/12/549413712.db2.gz RWEQUBCCGQMPPY-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000683006680 549413714 /nfs/dbraw/zinc/41/37/14/549413714.db2.gz RWEQUBCCGQMPPY-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000683010100 549414979 /nfs/dbraw/zinc/41/49/79/549414979.db2.gz WRDKMQJIKMDOHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000683010100 549414982 /nfs/dbraw/zinc/41/49/82/549414982.db2.gz WRDKMQJIKMDOHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000683010100 549414987 /nfs/dbraw/zinc/41/49/87/549414987.db2.gz WRDKMQJIKMDOHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000683010100 549414990 /nfs/dbraw/zinc/41/49/90/549414990.db2.gz WRDKMQJIKMDOHW-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000683829569 549543312 /nfs/dbraw/zinc/54/33/12/549543312.db2.gz FHWDNVYWLSGPMZ-OAHLLOKOSA-N 2 2 303.381 3.258 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000683829569 549543316 /nfs/dbraw/zinc/54/33/16/549543316.db2.gz FHWDNVYWLSGPMZ-OAHLLOKOSA-N 2 2 303.381 3.258 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cc[nH+]1 ZINC000684026358 549569366 /nfs/dbraw/zinc/56/93/66/549569366.db2.gz YUQMADSHUGXYSQ-CQSZACIVSA-N 2 2 315.442 3.070 20 0 DGADLP c1cc(O[C@@H]2CC[N@H+](Cc3nc4c(s3)CCCC4)C2)cc[nH+]1 ZINC000684026358 549569370 /nfs/dbraw/zinc/56/93/70/549569370.db2.gz YUQMADSHUGXYSQ-CQSZACIVSA-N 2 2 315.442 3.070 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000684367891 549620189 /nfs/dbraw/zinc/62/01/89/549620189.db2.gz XTCTZRSFBGJNMI-OALUTQOASA-N 2 2 313.445 3.226 20 0 DGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000684367890 549620202 /nfs/dbraw/zinc/62/02/02/549620202.db2.gz XTCTZRSFBGJNMI-MOPGFXCFSA-N 2 2 313.445 3.226 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCC[C@H](OC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684369056 549620247 /nfs/dbraw/zinc/62/02/47/549620247.db2.gz WYTXYMWJIQIBQH-AQNXPRMDSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCC[C@H](OC)C1)[N@H+]1CCc2ccccc2C1 ZINC000684369056 549620250 /nfs/dbraw/zinc/62/02/50/549620250.db2.gz WYTXYMWJIQIBQH-AQNXPRMDSA-N 2 2 316.489 3.371 20 0 DGADLP CCc1ccc([C@@H](COC)[NH2+]CCCc2ccc(C)[nH+]c2)o1 ZINC000684380515 549623713 /nfs/dbraw/zinc/62/37/13/549623713.db2.gz PKNBIQGAEQEWGB-QGZVFWFLSA-N 2 2 302.418 3.455 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000684396614 549629104 /nfs/dbraw/zinc/62/91/04/549629104.db2.gz MSBSQEFVVWCCRF-ZCNNSNEGSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000684396614 549629108 /nfs/dbraw/zinc/62/91/08/549629108.db2.gz MSBSQEFVVWCCRF-ZCNNSNEGSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1CCN(c2cc[nH+]c3c(O)cccc23)C[C@@H]1n1cc[nH+]c1 ZINC000684576151 549663068 /nfs/dbraw/zinc/66/30/68/549663068.db2.gz LFKKQEJLKLWJOO-CJNGLKHVSA-N 2 2 308.385 3.224 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000684952976 549724243 /nfs/dbraw/zinc/72/42/43/549724243.db2.gz BKSXRWSFVLWWEL-WFASDCNBSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000684952976 549724247 /nfs/dbraw/zinc/72/42/47/549724247.db2.gz BKSXRWSFVLWWEL-WFASDCNBSA-N 2 2 300.368 3.320 20 0 DGADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000684953925 549724793 /nfs/dbraw/zinc/72/47/93/549724793.db2.gz WCLSROJAOQWDBL-IBGZPJMESA-N 2 2 322.456 3.108 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccnc(N3CCCC3)c2)c[nH+]1 ZINC000685477693 549769279 /nfs/dbraw/zinc/76/92/79/549769279.db2.gz BUNVMJAULDUYIL-UHFFFAOYSA-N 2 2 310.445 3.108 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000743871905 575067491 /nfs/dbraw/zinc/06/74/91/575067491.db2.gz BCPKPBIMYVCGCU-NUJGCVRESA-N 2 2 320.477 3.072 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)C[NH+]2CCCC2)o1 ZINC000743871905 575067492 /nfs/dbraw/zinc/06/74/92/575067492.db2.gz BCPKPBIMYVCGCU-NUJGCVRESA-N 2 2 320.477 3.072 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CCCn3cc[nH+]c3)c2)[nH+]c1C ZINC000729338577 575236605 /nfs/dbraw/zinc/23/66/05/575236605.db2.gz HZGQEOCRIMFCNB-UHFFFAOYSA-N 2 2 323.400 3.309 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543733 575255278 /nfs/dbraw/zinc/25/52/78/575255278.db2.gz OSYKUUJXNKBMSJ-ZBFHGGJFSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543733 575255279 /nfs/dbraw/zinc/25/52/79/575255279.db2.gz OSYKUUJXNKBMSJ-ZBFHGGJFSA-N 2 2 322.880 3.322 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000729681411 575259988 /nfs/dbraw/zinc/25/99/88/575259988.db2.gz ANHSFVIQPWIJRN-LJQANCHMSA-N 2 2 319.452 3.483 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000729681411 575259990 /nfs/dbraw/zinc/25/99/90/575259990.db2.gz ANHSFVIQPWIJRN-LJQANCHMSA-N 2 2 319.452 3.483 20 0 DGADLP Cc1c(C[NH2+]CC[N@H+]2CC[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000744449945 575343848 /nfs/dbraw/zinc/34/38/48/575343848.db2.gz IYHXXGTXJHLSMU-NSHDSACASA-N 2 2 318.490 3.048 20 0 DGADLP Cc1c(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000744449945 575343851 /nfs/dbraw/zinc/34/38/51/575343851.db2.gz IYHXXGTXJHLSMU-NSHDSACASA-N 2 2 318.490 3.048 20 0 DGADLP Cc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)o1 ZINC000750039601 575699230 /nfs/dbraw/zinc/69/92/30/575699230.db2.gz QPGFCULMUJEIJQ-UHFFFAOYSA-N 2 2 308.385 3.333 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)o1 ZINC000750039601 575699233 /nfs/dbraw/zinc/69/92/33/575699233.db2.gz QPGFCULMUJEIJQ-UHFFFAOYSA-N 2 2 308.385 3.333 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000302334582 575972766 /nfs/dbraw/zinc/97/27/66/575972766.db2.gz GRTJMSXDMNCQFC-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000302334582 575972768 /nfs/dbraw/zinc/97/27/68/575972768.db2.gz GRTJMSXDMNCQFC-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000738441103 576130604 /nfs/dbraw/zinc/13/06/04/576130604.db2.gz UUQBIFNCMUFIKI-UHFFFAOYSA-N 2 2 315.323 3.146 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC1=Cc2ccccc2OC1 ZINC000727645520 576135933 /nfs/dbraw/zinc/13/59/33/576135933.db2.gz OVADGZGXNWUTFR-SFHVURJKSA-N 2 2 311.429 3.363 20 0 DGADLP Cc1cc2[nH+]cn(CN3CCC[C@H]3C[NH+]3CCCC3)c2cc1C ZINC000738104416 576194116 /nfs/dbraw/zinc/19/41/16/576194116.db2.gz LUJGVUSBDOBALX-KRWDZBQOSA-N 2 2 312.461 3.171 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106500 617964153 /nfs/dbraw/zinc/96/41/53/617964153.db2.gz WNDZBKYUADEYIN-RDJZCZTQSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106500 617964154 /nfs/dbraw/zinc/96/41/54/617964154.db2.gz WNDZBKYUADEYIN-RDJZCZTQSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106500 617964158 /nfs/dbraw/zinc/96/41/58/617964158.db2.gz WNDZBKYUADEYIN-RDJZCZTQSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106500 617964161 /nfs/dbraw/zinc/96/41/61/617964161.db2.gz WNDZBKYUADEYIN-RDJZCZTQSA-N 2 2 301.478 3.183 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132906 617971229 /nfs/dbraw/zinc/97/12/29/617971229.db2.gz BIEFGFZAYQHQTM-QGZVFWFLSA-N 2 2 306.498 3.245 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132906 617971233 /nfs/dbraw/zinc/97/12/33/617971233.db2.gz BIEFGFZAYQHQTM-QGZVFWFLSA-N 2 2 306.498 3.245 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132906 617971234 /nfs/dbraw/zinc/97/12/34/617971234.db2.gz BIEFGFZAYQHQTM-QGZVFWFLSA-N 2 2 306.498 3.245 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132906 617971237 /nfs/dbraw/zinc/97/12/37/617971237.db2.gz BIEFGFZAYQHQTM-QGZVFWFLSA-N 2 2 306.498 3.245 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000892231195 617990669 /nfs/dbraw/zinc/99/06/69/617990669.db2.gz XXEKIIZWHCFRST-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000892231195 617990672 /nfs/dbraw/zinc/99/06/72/617990672.db2.gz XXEKIIZWHCFRST-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000892231195 617990673 /nfs/dbraw/zinc/99/06/73/617990673.db2.gz XXEKIIZWHCFRST-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000892231195 617990675 /nfs/dbraw/zinc/99/06/75/617990675.db2.gz XXEKIIZWHCFRST-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)(C[NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000892442191 618067508 /nfs/dbraw/zinc/06/75/08/618067508.db2.gz YDLXMNZVXITSLJ-UHFFFAOYSA-N 2 2 322.250 3.213 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000892462969 618071759 /nfs/dbraw/zinc/07/17/59/618071759.db2.gz YHEXFSVROMUWPD-UHFFFAOYSA-N 2 2 301.409 3.141 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000892462969 618071762 /nfs/dbraw/zinc/07/17/62/618071762.db2.gz YHEXFSVROMUWPD-UHFFFAOYSA-N 2 2 301.409 3.141 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)N2CCCC2)c1 ZINC000924543243 618081934 /nfs/dbraw/zinc/08/19/34/618081934.db2.gz PPIKLONUMVUAOS-SQNIBIBYSA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)N2CCCC2)c1 ZINC000924543243 618081939 /nfs/dbraw/zinc/08/19/39/618081939.db2.gz PPIKLONUMVUAOS-SQNIBIBYSA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)N2CCCC2)c1 ZINC000924543240 618081979 /nfs/dbraw/zinc/08/19/79/618081979.db2.gz PPIKLONUMVUAOS-BZSNNMDCSA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)N2CCCC2)c1 ZINC000924543240 618081983 /nfs/dbraw/zinc/08/19/83/618081983.db2.gz PPIKLONUMVUAOS-BZSNNMDCSA-N 2 2 317.477 3.023 20 0 DGADLP CNc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892669261 618131561 /nfs/dbraw/zinc/13/15/61/618131561.db2.gz QNZWBNVKOMPYKK-LRDDRELGSA-N 2 2 317.462 3.075 20 0 DGADLP CNc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892669261 618131563 /nfs/dbraw/zinc/13/15/63/618131563.db2.gz QNZWBNVKOMPYKK-LRDDRELGSA-N 2 2 317.462 3.075 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2cc(C(C)(C)C)oc2C)CC1 ZINC000892724789 618148629 /nfs/dbraw/zinc/14/86/29/618148629.db2.gz WSRLHCPJQKBZQN-UHFFFAOYSA-N 2 2 308.466 3.086 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925070006 618310140 /nfs/dbraw/zinc/31/01/40/618310140.db2.gz JCVQKWUNJDMDLE-AABGKKOBSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925070006 618310151 /nfs/dbraw/zinc/31/01/51/618310151.db2.gz JCVQKWUNJDMDLE-AABGKKOBSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925502355 618419862 /nfs/dbraw/zinc/41/98/62/618419862.db2.gz KWPIZGSJLVMUQI-LZQZEXGQSA-N 3 2 313.489 3.072 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925647869 618519517 /nfs/dbraw/zinc/51/95/17/618519517.db2.gz JNEOERJIIPGBAH-WQVCFCJDSA-N 2 2 308.853 3.290 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925647868 618519790 /nfs/dbraw/zinc/51/97/90/618519790.db2.gz JNEOERJIIPGBAH-RCBQFDQVSA-N 2 2 308.853 3.290 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(Br)cc1 ZINC000925653031 618520531 /nfs/dbraw/zinc/52/05/31/618520531.db2.gz VGQVNIAHKTWNAO-HHNNZFJFSA-N 2 2 321.262 3.096 20 0 DGADLP CCCSC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000893343027 618522693 /nfs/dbraw/zinc/52/26/93/618522693.db2.gz LVYNJBXZEAUQQA-INIZCTEOSA-N 2 2 314.539 3.143 20 0 DGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)o1 ZINC000925676219 618526689 /nfs/dbraw/zinc/52/66/89/618526689.db2.gz YTDFHDAMAUVGLR-HZPDHXFCSA-N 2 2 305.466 3.193 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676578 618526827 /nfs/dbraw/zinc/52/68/27/618526827.db2.gz KGRVCLLZKCWWPZ-BLLLJJGKSA-N 2 2 323.362 3.321 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2Cc3ccccc3C2)CC1 ZINC000895110634 618539568 /nfs/dbraw/zinc/53/95/68/618539568.db2.gz RMXMAUUWBCHRQB-IYARVYRRSA-N 2 2 307.441 3.325 20 0 DGADLP CC[C@H](C)[C@@H](CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)OC ZINC000895111833 618540318 /nfs/dbraw/zinc/54/03/18/618540318.db2.gz LRFDCTQWYTYOJM-LUKYLMHMSA-N 2 2 305.466 3.219 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc(C3CC3)nc2)c2cccc[nH+]2)CC1 ZINC000895111567 618540578 /nfs/dbraw/zinc/54/05/78/618540578.db2.gz HRFHINIJQQIQNS-QAQDUYKDSA-N 2 2 323.444 3.026 20 0 DGADLP C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895114309 618541014 /nfs/dbraw/zinc/54/10/14/618541014.db2.gz LPAKZJZLNOJFAA-FPCVCCKLSA-N 2 2 305.491 3.442 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc(C3CC3)o2)c2cccc[nH+]2)CC1 ZINC000895116771 618541795 /nfs/dbraw/zinc/54/17/95/618541795.db2.gz TXYRIEIKKBPQFY-SHTZXODSSA-N 2 2 312.417 3.224 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925723306 618556752 /nfs/dbraw/zinc/55/67/52/618556752.db2.gz URNQZRXKBITFIS-LPHOPBHVSA-N 3 2 303.494 3.175 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(Sc2ccccn2)o1)[NH+](C)C ZINC000895294802 618589289 /nfs/dbraw/zinc/58/92/89/618589289.db2.gz TYZABTQEOFBJKR-ZDUSSCGKSA-N 2 2 305.447 3.256 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(Sc2ccccn2)o1)[NH+](C)C ZINC000895294801 618589480 /nfs/dbraw/zinc/58/94/80/618589480.db2.gz TYZABTQEOFBJKR-CYBMUJFWSA-N 2 2 305.447 3.256 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925793534 618621263 /nfs/dbraw/zinc/62/12/63/618621263.db2.gz DTOCORKYIGXCOY-NVXWUHKLSA-N 2 2 320.864 3.076 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000925794467 618621522 /nfs/dbraw/zinc/62/15/22/618621522.db2.gz LOBLWRLKHLRPEJ-IAGOWNOFSA-N 2 2 306.425 3.025 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc(C)c1F ZINC000925796510 618621959 /nfs/dbraw/zinc/62/19/59/618621959.db2.gz MJFHPSDWWAKMQE-WBVHZDCISA-N 2 2 320.452 3.252 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044867 618698473 /nfs/dbraw/zinc/69/84/73/618698473.db2.gz LVIRMHCQOLLNAX-NVXWUHKLSA-N 2 2 320.477 3.317 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044867 618698474 /nfs/dbraw/zinc/69/84/74/618698474.db2.gz LVIRMHCQOLLNAX-NVXWUHKLSA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044867 618698476 /nfs/dbraw/zinc/69/84/76/618698476.db2.gz LVIRMHCQOLLNAX-NVXWUHKLSA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044867 618698477 /nfs/dbraw/zinc/69/84/77/618698477.db2.gz LVIRMHCQOLLNAX-NVXWUHKLSA-N 2 2 320.477 3.317 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000894135672 618717944 /nfs/dbraw/zinc/71/79/44/618717944.db2.gz ZECLNZKGQAQQEY-KRWDZBQOSA-N 2 2 314.429 3.290 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000894135672 618717945 /nfs/dbraw/zinc/71/79/45/618717945.db2.gz ZECLNZKGQAQQEY-KRWDZBQOSA-N 2 2 314.429 3.290 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895436291 618784025 /nfs/dbraw/zinc/78/40/25/618784025.db2.gz OSIGLCGVQRYUDN-QGZVFWFLSA-N 2 2 320.477 3.228 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000895564157 618799624 /nfs/dbraw/zinc/79/96/24/618799624.db2.gz ITQNFMOVZOVULH-SNPRPXQTSA-N 2 2 315.299 3.157 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000895564157 618799626 /nfs/dbraw/zinc/79/96/26/618799626.db2.gz ITQNFMOVZOVULH-SNPRPXQTSA-N 2 2 315.299 3.157 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895708147 618822496 /nfs/dbraw/zinc/82/24/96/618822496.db2.gz ZNJYHUZTEDCHET-CGTJXYLNSA-N 2 2 301.434 3.275 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000895736349 618826287 /nfs/dbraw/zinc/82/62/87/618826287.db2.gz LSSRBSLWTXTARF-UHFFFAOYSA-N 2 2 313.489 3.411 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000895754006 618827833 /nfs/dbraw/zinc/82/78/33/618827833.db2.gz LYXWBVWFCQJQKF-HNNXBMFYSA-N 2 2 302.462 3.316 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000896125097 618875878 /nfs/dbraw/zinc/87/58/78/618875878.db2.gz DDDDQKKGYJWLDE-KRWDZBQOSA-N 2 2 315.461 3.224 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000896125097 618875879 /nfs/dbraw/zinc/87/58/79/618875879.db2.gz DDDDQKKGYJWLDE-KRWDZBQOSA-N 2 2 315.461 3.224 20 0 DGADLP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)c2C1 ZINC000896125097 618875882 /nfs/dbraw/zinc/87/58/82/618875882.db2.gz DDDDQKKGYJWLDE-KRWDZBQOSA-N 2 2 315.461 3.224 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[nH+]c1 ZINC000896198697 618884272 /nfs/dbraw/zinc/88/42/72/618884272.db2.gz SBWTVJFZEWKACG-UHFFFAOYSA-N 2 2 309.413 3.093 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CS1 ZINC000896720964 618948428 /nfs/dbraw/zinc/94/84/28/618948428.db2.gz KIROQTPZSQQDKI-IKGGRYGDSA-N 2 2 307.507 3.194 20 0 DGADLP C[C@@H](CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1 ZINC000897227184 619032571 /nfs/dbraw/zinc/03/25/71/619032571.db2.gz BYPJAUMKPSGKTJ-QFBILLFUSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@@H](CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1ccccc1 ZINC000897227184 619032572 /nfs/dbraw/zinc/03/25/72/619032572.db2.gz BYPJAUMKPSGKTJ-QFBILLFUSA-N 2 2 302.462 3.023 20 0 DGADLP COc1c(Cl)cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000897481949 619135017 /nfs/dbraw/zinc/13/50/17/619135017.db2.gz KCHHSHIFKBRZGR-UHFFFAOYSA-N 2 2 308.853 3.313 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000925309123 619157939 /nfs/dbraw/zinc/15/79/39/619157939.db2.gz VUUYZZOEWNKVIE-UHFFFAOYSA-N 3 2 309.542 3.349 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000898178544 619223082 /nfs/dbraw/zinc/22/30/82/619223082.db2.gz CDCAAKPIMOEIBQ-HNNXBMFYSA-N 2 2 304.482 3.207 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC2(C)C)CCOCC1 ZINC000926959973 619252439 /nfs/dbraw/zinc/25/24/39/619252439.db2.gz UGYHZOPPFJYKHY-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC2(C)C)CCOCC1 ZINC000926959973 619252443 /nfs/dbraw/zinc/25/24/43/619252443.db2.gz UGYHZOPPFJYKHY-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959915 619252687 /nfs/dbraw/zinc/25/26/87/619252687.db2.gz TWZCIXSYHZJQSN-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959915 619252691 /nfs/dbraw/zinc/25/26/91/619252691.db2.gz TWZCIXSYHZJQSN-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000926960817 619252977 /nfs/dbraw/zinc/25/29/77/619252977.db2.gz HJILKUUKDXLJDQ-DOMZBBRYSA-N 2 2 318.383 3.323 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924682897 619256861 /nfs/dbraw/zinc/25/68/61/619256861.db2.gz YMTAVBRSGKQDKS-RTBURBONSA-N 3 2 307.526 3.105 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000924682897 619256863 /nfs/dbraw/zinc/25/68/63/619256863.db2.gz YMTAVBRSGKQDKS-RTBURBONSA-N 3 2 307.526 3.105 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706112 619261469 /nfs/dbraw/zinc/26/14/69/619261469.db2.gz OEFVZXYXTNPHGW-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706112 619261472 /nfs/dbraw/zinc/26/14/72/619261472.db2.gz OEFVZXYXTNPHGW-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)cc(F)c1 ZINC000924730144 619268838 /nfs/dbraw/zinc/26/88/38/619268838.db2.gz OZRWJURSYIKYTG-WBMJQRKESA-N 2 2 305.397 3.493 20 0 DGADLP CCn1c[nH+]cc1CNc1cccc(OCC[NH+](CC)CC)c1 ZINC000898702726 619291100 /nfs/dbraw/zinc/29/11/00/619291100.db2.gz CCUUNLOPJBXTSF-UHFFFAOYSA-N 2 2 316.449 3.236 20 0 DGADLP [NH3+]CCCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000902318910 619614695 /nfs/dbraw/zinc/61/46/95/619614695.db2.gz IZXCRACMXGAUEB-KRWDZBQOSA-N 3 2 322.403 3.011 20 0 DGADLP CSC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000902412512 619629051 /nfs/dbraw/zinc/62/90/51/619629051.db2.gz CEEAGNCVPNVIEH-GFCCVEGCSA-N 2 2 304.381 3.190 20 0 DGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(-n2cccn2)cc1 ZINC000902440812 619636593 /nfs/dbraw/zinc/63/65/93/619636593.db2.gz AKTJSBZELFYHPQ-JSNMRZPZSA-N 2 2 318.424 3.148 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1F ZINC000902445989 619637492 /nfs/dbraw/zinc/63/74/92/619637492.db2.gz REILZABJPXNZJT-XNAIMREJSA-N 2 2 300.377 3.110 20 0 DGADLP Brc1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)cc1 ZINC000902472277 619638007 /nfs/dbraw/zinc/63/80/07/619638007.db2.gz ZZDPHHDSVKSEIZ-ZJIFWQFVSA-N 2 2 321.262 3.383 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[C@H]2CCC[NH2+]2)cc1 ZINC000902458564 619640976 /nfs/dbraw/zinc/64/09/76/619640976.db2.gz WIBIUQGXWMUNFO-NLNMYJFZSA-N 2 2 300.446 3.267 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(Br)c1 ZINC000902465385 619641671 /nfs/dbraw/zinc/64/16/71/619641671.db2.gz FSOYKPJZMXCPCH-BYNSBNAKSA-N 2 2 309.251 3.383 20 0 DGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902485278 619645823 /nfs/dbraw/zinc/64/58/23/619645823.db2.gz ZEFSLLGDARHBEE-LZQZEXGQSA-N 2 2 320.452 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902723999 619666165 /nfs/dbraw/zinc/66/61/65/619666165.db2.gz VNIMJWTYEMFTGW-MAUKXSAKSA-N 2 2 324.428 3.419 20 0 DGADLP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000902736586 619667749 /nfs/dbraw/zinc/66/77/49/619667749.db2.gz IKSAAVAJUAMMDT-OALUTQOASA-N 2 2 313.445 3.369 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742343 619669124 /nfs/dbraw/zinc/66/91/24/619669124.db2.gz OEQXGUOICZMUCV-NWDGAFQWSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742343 619669125 /nfs/dbraw/zinc/66/91/25/619669125.db2.gz OEQXGUOICZMUCV-NWDGAFQWSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753487 619670396 /nfs/dbraw/zinc/67/03/96/619670396.db2.gz QENCXEUHRDDGLY-YUTCNCBUSA-N 2 2 313.367 3.378 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753487 619670397 /nfs/dbraw/zinc/67/03/97/619670397.db2.gz QENCXEUHRDDGLY-YUTCNCBUSA-N 2 2 313.367 3.378 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902826776 619679913 /nfs/dbraw/zinc/67/99/13/619679913.db2.gz WKAHTPAGOGODJI-CVEARBPZSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902810506 619680612 /nfs/dbraw/zinc/68/06/12/619680612.db2.gz VRSXUPLNNZTQCY-PEBXRYMYSA-N 2 2 319.474 3.070 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)CCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902850162 619684199 /nfs/dbraw/zinc/68/41/99/619684199.db2.gz JXKRSIGVXAHVKO-HNNXBMFYSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902992442 619700454 /nfs/dbraw/zinc/70/04/54/619700454.db2.gz KHNSXRZLLDFEOD-HNNXBMFYSA-N 2 2 321.428 3.184 20 0 DGADLP C[C@@H]([NH2+]CC1SCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903056912 619707197 /nfs/dbraw/zinc/70/71/97/619707197.db2.gz VHVBOJWOSZDVLQ-GFCCVEGCSA-N 2 2 305.472 3.329 20 0 DGADLP COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000903058763 619707845 /nfs/dbraw/zinc/70/78/45/619707845.db2.gz SRRFZRRVMJTYFC-AWEZNQCLSA-N 2 2 305.809 3.212 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cn1 ZINC000903075539 619711698 /nfs/dbraw/zinc/71/16/98/619711698.db2.gz YRYUPCKHUPOINK-IBGZPJMESA-N 2 2 319.412 3.212 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(CC2CCC2)c1 ZINC000903084482 619713351 /nfs/dbraw/zinc/71/33/51/619713351.db2.gz YUDMJXCLIDKFPD-OAHLLOKOSA-N 2 2 316.493 3.351 20 0 DGADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000903128234 619722917 /nfs/dbraw/zinc/72/29/17/619722917.db2.gz UKBWOZIAFINVCC-IPMKNSEASA-N 2 2 313.445 3.398 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000903165421 619728590 /nfs/dbraw/zinc/72/85/90/619728590.db2.gz KHSBXNDQGINBPB-ORZNMBHWSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000903165421 619728593 /nfs/dbraw/zinc/72/85/93/619728593.db2.gz KHSBXNDQGINBPB-ORZNMBHWSA-N 2 2 313.489 3.318 20 0 DGADLP C[NH+](C)Cc1csc(C[NH2+]C2CCc3ccccc3CC2)n1 ZINC000903219384 619741009 /nfs/dbraw/zinc/74/10/09/619741009.db2.gz GJLLHJLFCLNJGB-UHFFFAOYSA-N 2 2 315.486 3.242 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903263070 619747336 /nfs/dbraw/zinc/74/73/36/619747336.db2.gz KFYAIWFAIGCXBL-BXWFABGCSA-N 2 2 313.445 3.464 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903263078 619747527 /nfs/dbraw/zinc/74/75/27/619747527.db2.gz KFYAIWFAIGCXBL-GJYPPUQNSA-N 2 2 313.445 3.464 20 0 DGADLP CO[C@@]1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCSC1 ZINC000903316421 619758756 /nfs/dbraw/zinc/75/87/56/619758756.db2.gz OTMFWGAHDNUMGR-WMLDXEAASA-N 2 2 317.458 3.045 20 0 DGADLP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)nc1 ZINC000903338464 619760069 /nfs/dbraw/zinc/76/00/69/619760069.db2.gz ICRCKSFADVRKOP-LJQANCHMSA-N 2 2 308.429 3.186 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000903343693 619760695 /nfs/dbraw/zinc/76/06/95/619760695.db2.gz JNKYDLDKDBAAMF-FUHWJXTLSA-N 2 2 301.478 3.114 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000903343693 619760697 /nfs/dbraw/zinc/76/06/97/619760697.db2.gz JNKYDLDKDBAAMF-FUHWJXTLSA-N 2 2 301.478 3.114 20 0 DGADLP COC1([C@H](C)[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000903376987 619767664 /nfs/dbraw/zinc/76/76/64/619767664.db2.gz IDZLHZPBUBEOQL-FUHWJXTLSA-N 2 2 319.493 3.402 20 0 DGADLP COC1([C@@H](C)[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCCC1 ZINC000903376143 619767688 /nfs/dbraw/zinc/76/76/88/619767688.db2.gz ADAKKXFBHZVCNM-NVXWUHKLSA-N 2 2 305.466 3.012 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1(C)C ZINC000903380057 619768590 /nfs/dbraw/zinc/76/85/90/619768590.db2.gz JWSZYPQFGFZGSU-FGTMMUONSA-N 2 2 319.493 3.256 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382180 619769117 /nfs/dbraw/zinc/76/91/17/619769117.db2.gz DGDPHSNRIHWXPS-KXBFYZLASA-N 2 2 315.436 3.434 20 0 DGADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385179 619769463 /nfs/dbraw/zinc/76/94/63/619769463.db2.gz VTUJYAUFICIFPV-YOEHRIQHSA-N 2 2 303.475 3.357 20 0 DGADLP C[C@H](Cc1cccs1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385743 619769833 /nfs/dbraw/zinc/76/98/33/619769833.db2.gz ZLYRNIURLAWTTM-PBHICJAKSA-N 2 2 303.475 3.357 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903463557 619777204 /nfs/dbraw/zinc/77/72/04/619777204.db2.gz DJZQLFXBMQTQJD-JCUPBUFNSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903463557 619777205 /nfs/dbraw/zinc/77/72/05/619777205.db2.gz DJZQLFXBMQTQJD-JCUPBUFNSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000903890271 619826148 /nfs/dbraw/zinc/82/61/48/619826148.db2.gz AWMZVUXMNHPSKZ-CABCVRRESA-N 2 2 300.368 3.205 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000903890271 619826151 /nfs/dbraw/zinc/82/61/51/619826151.db2.gz AWMZVUXMNHPSKZ-CABCVRRESA-N 2 2 300.368 3.205 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000903909545 619833374 /nfs/dbraw/zinc/83/33/74/619833374.db2.gz FKTIVWDEHCKCNX-QAPCUYQASA-N 2 2 308.416 3.339 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000903909545 619833376 /nfs/dbraw/zinc/83/33/76/619833376.db2.gz FKTIVWDEHCKCNX-QAPCUYQASA-N 2 2 308.416 3.339 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000903954543 619846207 /nfs/dbraw/zinc/84/62/07/619846207.db2.gz DWDPKYJTGHIULZ-JTQLQIEISA-N 2 2 314.763 3.421 20 0 DGADLP Cc1ccc(-n2cc(C[NH2+]CC3([NH3+])CC3)c(C(C)(C)C)n2)cc1 ZINC000904449524 619923363 /nfs/dbraw/zinc/92/33/63/619923363.db2.gz JVDJAIYGWOKANQ-UHFFFAOYSA-N 2 2 312.461 3.059 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925405866 620513360 /nfs/dbraw/zinc/51/33/60/620513360.db2.gz XKSRBMIHNUWIJQ-GDBMZVCRSA-N 2 2 319.518 3.171 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925405866 620513362 /nfs/dbraw/zinc/51/33/62/620513362.db2.gz XKSRBMIHNUWIJQ-GDBMZVCRSA-N 2 2 319.518 3.171 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2O1 ZINC000921534340 620904143 /nfs/dbraw/zinc/90/41/43/620904143.db2.gz MADSZEHURAUQCL-OAHLLOKOSA-N 2 2 323.440 3.164 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1 ZINC000921563074 620909886 /nfs/dbraw/zinc/90/98/86/620909886.db2.gz LPDSSLUTIMBLCQ-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP Cc1cnc(Cl)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000921579619 620909911 /nfs/dbraw/zinc/90/99/11/620909911.db2.gz RSPZYQRDTYMPCL-AWEZNQCLSA-N 2 2 306.841 3.444 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)ccc2O1 ZINC000921588493 620912040 /nfs/dbraw/zinc/91/20/40/620912040.db2.gz FDKLPPKSEFRPCW-HNNXBMFYSA-N 2 2 319.408 3.486 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)[nH+]c1 ZINC000921666798 620929985 /nfs/dbraw/zinc/92/99/85/620929985.db2.gz IJAVJDDVJNCFCD-BRWVUGGUSA-N 2 2 303.450 3.069 20 0 DGADLP Cc1cnc(Cl)c(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000921668053 620930469 /nfs/dbraw/zinc/93/04/69/620930469.db2.gz WQQJDRAADCGQSF-UHFFFAOYSA-N 2 2 304.825 3.420 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@@H+]1C ZINC000921781225 620948748 /nfs/dbraw/zinc/94/87/48/620948748.db2.gz YZTSJWYYZQOPED-DOTOQJQBSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@H+]1C ZINC000921781225 620948750 /nfs/dbraw/zinc/94/87/50/620948750.db2.gz YZTSJWYYZQOPED-DOTOQJQBSA-N 2 2 311.429 3.446 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000921915318 620968206 /nfs/dbraw/zinc/96/82/06/620968206.db2.gz RVNNZJIWIGJJJZ-ZDUSSCGKSA-N 2 2 312.889 3.083 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000921915318 620968208 /nfs/dbraw/zinc/96/82/08/620968208.db2.gz RVNNZJIWIGJJJZ-ZDUSSCGKSA-N 2 2 312.889 3.083 20 0 DGADLP C[C@H](CC[NH2+]Cc1c(Cl)n[nH]c1C1CC1)[NH+]1CCCCC1 ZINC000921989687 620977200 /nfs/dbraw/zinc/97/72/00/620977200.db2.gz HKMXDPDPLRWFMM-GFCCVEGCSA-N 2 2 310.873 3.295 20 0 DGADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000922270311 621015404 /nfs/dbraw/zinc/01/54/04/621015404.db2.gz UHTYEKTWXIALPP-HNNXBMFYSA-N 2 2 307.869 3.255 20 0 DGADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000922270311 621015407 /nfs/dbraw/zinc/01/54/07/621015407.db2.gz UHTYEKTWXIALPP-HNNXBMFYSA-N 2 2 307.869 3.255 20 0 DGADLP Clc1n[nH]c(C2CC2)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000922269523 621015613 /nfs/dbraw/zinc/01/56/13/621015613.db2.gz OHPUDHUUUXAKHW-CYBMUJFWSA-N 2 2 322.884 3.152 20 0 DGADLP Clc1n[nH]c(C2CC2)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000922269523 621015617 /nfs/dbraw/zinc/01/56/17/621015617.db2.gz OHPUDHUUUXAKHW-CYBMUJFWSA-N 2 2 322.884 3.152 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CC3(F)F)CC2)cc1 ZINC000856802749 621023436 /nfs/dbraw/zinc/02/34/36/621023436.db2.gz OBGOLAWNNLDTKM-AWEZNQCLSA-N 2 2 323.431 3.356 20 0 DGADLP COC1(C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000922629273 621069827 /nfs/dbraw/zinc/06/98/27/621069827.db2.gz VLYOOWWCSTWXJP-QGZVFWFLSA-N 2 2 305.466 3.013 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)c[nH+]1 ZINC000922892750 621120203 /nfs/dbraw/zinc/12/02/03/621120203.db2.gz QRSHXQLRMONXFE-PKOBYXMFSA-N 2 2 311.429 3.167 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)co1 ZINC000923352600 621178716 /nfs/dbraw/zinc/17/87/16/621178716.db2.gz WVUNTUULLCYGCX-WBVHZDCISA-N 2 2 313.445 3.146 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)co1 ZINC000923352600 621178718 /nfs/dbraw/zinc/17/87/18/621178718.db2.gz WVUNTUULLCYGCX-WBVHZDCISA-N 2 2 313.445 3.146 20 0 DGADLP c1ccc(-c2nc3c(s2)C[N@H+](CCC[NH2+]C2CC2)CC3)cc1 ZINC000923392785 621181576 /nfs/dbraw/zinc/18/15/76/621181576.db2.gz UZIVDBGKPPHONI-UHFFFAOYSA-N 2 2 313.470 3.310 20 0 DGADLP c1ccc(-c2nc3c(s2)C[N@@H+](CCC[NH2+]C2CC2)CC3)cc1 ZINC000923392785 621181579 /nfs/dbraw/zinc/18/15/79/621181579.db2.gz UZIVDBGKPPHONI-UHFFFAOYSA-N 2 2 313.470 3.310 20 0 DGADLP Clc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923507604 621190111 /nfs/dbraw/zinc/19/01/11/621190111.db2.gz QNQKVSWVEPYFEL-GFCCVEGCSA-N 2 2 313.898 3.398 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518034 621191254 /nfs/dbraw/zinc/19/12/54/621191254.db2.gz JKZCPHWZVAJQLG-KWCYVHTRSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518034 621191255 /nfs/dbraw/zinc/19/12/55/621191255.db2.gz JKZCPHWZVAJQLG-KWCYVHTRSA-N 2 2 309.251 3.051 20 0 DGADLP O[C@H](C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129723 621338292 /nfs/dbraw/zinc/33/82/92/621338292.db2.gz OGVWDJSGMZOLFP-OALUTQOASA-N 2 2 314.473 3.060 20 0 DGADLP O[C@H](C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129723 621338294 /nfs/dbraw/zinc/33/82/94/621338294.db2.gz OGVWDJSGMZOLFP-OALUTQOASA-N 2 2 314.473 3.060 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000753670525 621458795 /nfs/dbraw/zinc/45/87/95/621458795.db2.gz AKUZLCRTNSUZHI-MAUKXSAKSA-N 2 2 322.518 3.400 20 0 DGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000753849186 621468469 /nfs/dbraw/zinc/46/84/69/621468469.db2.gz PPVKSBFIHSWTKO-OBNAIBOFSA-N 2 2 320.864 3.196 20 0 DGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000753849186 621468471 /nfs/dbraw/zinc/46/84/71/621468471.db2.gz PPVKSBFIHSWTKO-OBNAIBOFSA-N 2 2 320.864 3.196 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000753857498 621469143 /nfs/dbraw/zinc/46/91/43/621469143.db2.gz FHJOZHWVCXBUIR-HNAYVOBHSA-N 2 2 302.462 3.090 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000753857498 621469145 /nfs/dbraw/zinc/46/91/45/621469145.db2.gz FHJOZHWVCXBUIR-HNAYVOBHSA-N 2 2 302.462 3.090 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000755786770 621593694 /nfs/dbraw/zinc/59/36/94/621593694.db2.gz BNOSDCKXOGNXFA-LBPRGKRZSA-N 2 2 314.414 3.144 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000755786770 621593697 /nfs/dbraw/zinc/59/36/97/621593697.db2.gz BNOSDCKXOGNXFA-LBPRGKRZSA-N 2 2 314.414 3.144 20 0 DGADLP c1cn(Cc2cccc(-c3cccc([C@@H]4C[NH2+]CCO4)c3)c2)c[nH+]1 ZINC000863690112 621701036 /nfs/dbraw/zinc/70/10/36/621701036.db2.gz KTXZMUTYDXCVAC-FQEVSTJZSA-N 2 2 319.408 3.259 20 0 DGADLP c1cn(Cc2cccc(-c3ccc([C@@H]4COCC[NH2+]4)cc3)c2)c[nH+]1 ZINC000863690248 621701319 /nfs/dbraw/zinc/70/13/19/621701319.db2.gz NQFOWIWGBLMWDM-FQEVSTJZSA-N 2 2 319.408 3.259 20 0 DGADLP Cc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000759346304 621848478 /nfs/dbraw/zinc/84/84/78/621848478.db2.gz WXOJIELUUBKMSU-LJQANCHMSA-N 2 2 315.505 3.300 20 0 DGADLP Cc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000759346304 621848480 /nfs/dbraw/zinc/84/84/80/621848480.db2.gz WXOJIELUUBKMSU-LJQANCHMSA-N 2 2 315.505 3.300 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000762477147 622078438 /nfs/dbraw/zinc/07/84/38/622078438.db2.gz UORIUJDIKZPWRN-LZLYRXPVSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000762477147 622078443 /nfs/dbraw/zinc/07/84/43/622078443.db2.gz UORIUJDIKZPWRN-LZLYRXPVSA-N 2 2 320.864 3.170 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2cccc(C)c2)CC1 ZINC000866263782 622079095 /nfs/dbraw/zinc/07/90/95/622079095.db2.gz TVBFINPPEVVFJG-KRWDZBQOSA-N 2 2 318.505 3.405 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866483606 622125422 /nfs/dbraw/zinc/12/54/22/622125422.db2.gz KHHPZQRTTGKMBT-GOEBONIOSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866483606 622125424 /nfs/dbraw/zinc/12/54/24/622125424.db2.gz KHHPZQRTTGKMBT-GOEBONIOSA-N 2 2 318.461 3.214 20 0 DGADLP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561814 622138129 /nfs/dbraw/zinc/13/81/29/622138129.db2.gz LPHWXKZQFDCXSX-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561814 622138132 /nfs/dbraw/zinc/13/81/32/622138132.db2.gz LPHWXKZQFDCXSX-ZWKOTPCHSA-N 2 2 306.494 3.332 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000764475086 622196422 /nfs/dbraw/zinc/19/64/22/622196422.db2.gz BTJDNBINWRHOBL-OAHLLOKOSA-N 2 2 309.417 3.118 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccco3)CC2)cc1 ZINC000764590253 622205392 /nfs/dbraw/zinc/20/53/92/622205392.db2.gz NVNUFBZGIJNKHB-UHFFFAOYSA-N 2 2 313.445 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000765454013 622265857 /nfs/dbraw/zinc/26/58/57/622265857.db2.gz WKUNRIXDVOTISU-VQIMIIECSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454013 622265859 /nfs/dbraw/zinc/26/58/59/622265859.db2.gz WKUNRIXDVOTISU-VQIMIIECSA-N 3 2 307.526 3.103 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccccc1 ZINC000765525109 622271210 /nfs/dbraw/zinc/27/12/10/622271210.db2.gz IUHQKNCCPDFZAJ-ZOBUZTSGSA-N 2 2 312.461 3.314 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1ccccc1 ZINC000765525109 622271212 /nfs/dbraw/zinc/27/12/12/622271212.db2.gz IUHQKNCCPDFZAJ-ZOBUZTSGSA-N 2 2 312.461 3.314 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000765976852 622298116 /nfs/dbraw/zinc/29/81/16/622298116.db2.gz OIIYWLPXPGJLBF-HOCLYGCPSA-N 2 2 306.425 3.120 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374304 622626025 /nfs/dbraw/zinc/62/60/25/622626025.db2.gz LCKGDIFWJMPLFP-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374304 622626031 /nfs/dbraw/zinc/62/60/31/622626031.db2.gz LCKGDIFWJMPLFP-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000770374304 622626036 /nfs/dbraw/zinc/62/60/36/622626036.db2.gz LCKGDIFWJMPLFP-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000770374304 622626039 /nfs/dbraw/zinc/62/60/39/622626039.db2.gz LCKGDIFWJMPLFP-DOTOQJQBSA-N 2 2 319.880 3.492 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(O)c1F ZINC000872032688 622764142 /nfs/dbraw/zinc/76/41/42/622764142.db2.gz XWXXHCIICRHMLS-ZDUSSCGKSA-N 2 2 303.381 3.469 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872129660 622823475 /nfs/dbraw/zinc/82/34/75/622823475.db2.gz FDZCJEXRZAPEIA-LLVKDONJSA-N 2 2 313.367 3.378 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000772950404 622956886 /nfs/dbraw/zinc/95/68/86/622956886.db2.gz HQWBPGKBSCAWBU-OAHLLOKOSA-N 2 2 301.478 3.357 20 0 DGADLP C[C@@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)C1CC[NH2+]CC1 ZINC000872782616 622978104 /nfs/dbraw/zinc/97/81/04/622978104.db2.gz HWEHVQYSUDMTMS-SNVBAGLBSA-N 2 2 313.380 3.050 20 0 DGADLP C[C@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)C1CC[NH2+]CC1 ZINC000872783698 622978583 /nfs/dbraw/zinc/97/85/83/622978583.db2.gz HWEHVQYSUDMTMS-JTQLQIEISA-N 2 2 313.380 3.050 20 0 DGADLP Fc1cc(F)c2c(c1)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873207719 623076232 /nfs/dbraw/zinc/07/62/32/623076232.db2.gz PAIYRRSEEQJEQL-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP Fc1cc(F)c2c(c1)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873207719 623076238 /nfs/dbraw/zinc/07/62/38/623076238.db2.gz PAIYRRSEEQJEQL-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP FC(F)(F)COc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873229624 623082328 /nfs/dbraw/zinc/08/23/28/623082328.db2.gz CUDDRMNTFAUALM-CABCVRRESA-N 2 2 314.351 3.002 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@]34CCC[C@H]3[NH2+]CC4)c2)nc1 ZINC000873230237 623084138 /nfs/dbraw/zinc/08/41/38/623084138.db2.gz NXPXBFQDOBSQEO-UXHICEINSA-N 2 2 323.440 3.035 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCS2)[C@H]2CCC[NH2+]2)cc1 ZINC000873244931 623089587 /nfs/dbraw/zinc/08/95/87/623089587.db2.gz WFLDCANPVIOKBY-KSZLIROESA-N 2 2 320.502 3.364 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccc(F)cc12 ZINC000873248598 623090452 /nfs/dbraw/zinc/09/04/52/623090452.db2.gz GZPCIJWMULNJBN-GXTWGEPZSA-N 2 2 305.397 3.367 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737500 623692444 /nfs/dbraw/zinc/69/24/44/623692444.db2.gz RRXBEKFGDXVDFK-XVJNWHFHSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C=C[C@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737500 623692446 /nfs/dbraw/zinc/69/24/46/623692446.db2.gz RRXBEKFGDXVDFK-XVJNWHFHSA-N 2 2 324.428 3.188 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812262 623713249 /nfs/dbraw/zinc/71/32/49/623713249.db2.gz KIGALYXLBTZGLV-IAQYHMDHSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812262 623713251 /nfs/dbraw/zinc/71/32/51/623713251.db2.gz KIGALYXLBTZGLV-IAQYHMDHSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812262 623713257 /nfs/dbraw/zinc/71/32/57/623713257.db2.gz KIGALYXLBTZGLV-IAQYHMDHSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000876812262 623713262 /nfs/dbraw/zinc/71/32/62/623713262.db2.gz KIGALYXLBTZGLV-IAQYHMDHSA-N 2 2 314.260 3.305 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000876932670 623747791 /nfs/dbraw/zinc/74/77/91/623747791.db2.gz SMYGQGBIQLSOHH-YWZLYKJASA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000877037674 623773053 /nfs/dbraw/zinc/77/30/53/623773053.db2.gz VBZCRHNRWXVITC-SIFCLUCFSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000877037674 623773057 /nfs/dbraw/zinc/77/30/57/623773057.db2.gz VBZCRHNRWXVITC-SIFCLUCFSA-N 2 2 304.415 3.173 20 0 DGADLP COc1c(C)cnc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1C ZINC000877083237 623787303 /nfs/dbraw/zinc/78/73/03/623787303.db2.gz KDLLEBQQCJDRKM-UHFFFAOYSA-N 2 2 317.477 3.204 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(Cl)cs1 ZINC000877529283 623926526 /nfs/dbraw/zinc/92/65/26/623926526.db2.gz YFIUUDKNIMMSCA-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877529283 623926528 /nfs/dbraw/zinc/92/65/28/623926528.db2.gz YFIUUDKNIMMSCA-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530313 623926932 /nfs/dbraw/zinc/92/69/32/623926932.db2.gz CPQAUNILZPZLNC-ABAIWWIYSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530313 623926934 /nfs/dbraw/zinc/92/69/34/623926934.db2.gz CPQAUNILZPZLNC-ABAIWWIYSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530313 623926936 /nfs/dbraw/zinc/92/69/36/623926936.db2.gz CPQAUNILZPZLNC-ABAIWWIYSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530313 623926938 /nfs/dbraw/zinc/92/69/38/623926938.db2.gz CPQAUNILZPZLNC-ABAIWWIYSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530660 623927011 /nfs/dbraw/zinc/92/70/11/623927011.db2.gz FBXHWBDHIFDUBW-SUMWQHHRSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530660 623927015 /nfs/dbraw/zinc/92/70/15/623927015.db2.gz FBXHWBDHIFDUBW-SUMWQHHRSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530660 623927018 /nfs/dbraw/zinc/92/70/18/623927018.db2.gz FBXHWBDHIFDUBW-SUMWQHHRSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530660 623927023 /nfs/dbraw/zinc/92/70/23/623927023.db2.gz FBXHWBDHIFDUBW-SUMWQHHRSA-N 2 2 301.409 3.146 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000877619495 623965273 /nfs/dbraw/zinc/96/52/73/623965273.db2.gz AWLCBFQFRIZTBA-JZKQVHKSSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000877619495 623965277 /nfs/dbraw/zinc/96/52/77/623965277.db2.gz AWLCBFQFRIZTBA-JZKQVHKSSA-N 2 2 304.415 3.172 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OCC ZINC000877744514 624016526 /nfs/dbraw/zinc/01/65/26/624016526.db2.gz VAAAAWKJSJNDSE-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OCC ZINC000877744514 624016530 /nfs/dbraw/zinc/01/65/30/624016530.db2.gz VAAAAWKJSJNDSE-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1OCC ZINC000877744514 624016536 /nfs/dbraw/zinc/01/65/36/624016536.db2.gz VAAAAWKJSJNDSE-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1OCC ZINC000877744514 624016538 /nfs/dbraw/zinc/01/65/38/624016538.db2.gz VAAAAWKJSJNDSE-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000126846141 624138067 /nfs/dbraw/zinc/13/80/67/624138067.db2.gz MZYRCIZVIBHYEP-OAHLLOKOSA-N 2 2 309.417 3.008 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878518870 624297118 /nfs/dbraw/zinc/29/71/18/624297118.db2.gz UKOPDGUBBGIDEW-NSHDSACASA-N 2 2 313.323 3.412 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878518870 624297120 /nfs/dbraw/zinc/29/71/20/624297120.db2.gz UKOPDGUBBGIDEW-NSHDSACASA-N 2 2 313.323 3.412 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000879286557 624484376 /nfs/dbraw/zinc/48/43/76/624484376.db2.gz VKOIURHZJKWWIZ-INIZCTEOSA-N 2 2 310.869 3.180 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581160 624599030 /nfs/dbraw/zinc/59/90/30/624599030.db2.gz XKIAPIWDPHOJKW-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581160 624599033 /nfs/dbraw/zinc/59/90/33/624599033.db2.gz XKIAPIWDPHOJKW-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581160 624599043 /nfs/dbraw/zinc/59/90/43/624599043.db2.gz XKIAPIWDPHOJKW-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccc3Br)CC[C@@H]21 ZINC000879581160 624599057 /nfs/dbraw/zinc/59/90/57/624599057.db2.gz XKIAPIWDPHOJKW-HOCLYGCPSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000785477391 624675204 /nfs/dbraw/zinc/67/52/04/624675204.db2.gz PBTSHUBFQRLVMN-OAHLLOKOSA-N 2 2 319.518 3.064 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000879947128 624729418 /nfs/dbraw/zinc/72/94/18/624729418.db2.gz ASCWECMZXGZVQA-SFHVURJKSA-N 2 2 320.452 3.200 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000880089346 624781861 /nfs/dbraw/zinc/78/18/61/624781861.db2.gz AVBVPDRUPGPDIF-HOCLYGCPSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000880089346 624781864 /nfs/dbraw/zinc/78/18/64/624781864.db2.gz AVBVPDRUPGPDIF-HOCLYGCPSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000880089346 624781867 /nfs/dbraw/zinc/78/18/67/624781867.db2.gz AVBVPDRUPGPDIF-HOCLYGCPSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000880089346 624781871 /nfs/dbraw/zinc/78/18/71/624781871.db2.gz AVBVPDRUPGPDIF-HOCLYGCPSA-N 2 2 318.461 3.107 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880568735 624979180 /nfs/dbraw/zinc/97/91/80/624979180.db2.gz DXZLXALMDKZSPB-HXUWFJFHSA-N 2 2 320.440 3.480 20 0 DGADLP CC(C)CC[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568872 624979187 /nfs/dbraw/zinc/97/91/87/624979187.db2.gz FOVRGYKMRMIKAN-ZWKOTPCHSA-N 2 2 301.434 3.011 20 0 DGADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000880568615 624979458 /nfs/dbraw/zinc/97/94/58/624979458.db2.gz BJKYTRLMHWAYMS-RBUKOAKNSA-N 2 2 313.445 3.419 20 0 DGADLP c1cn(C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)O2)c2ccccc2)c[nH+]1 ZINC000880569966 624980063 /nfs/dbraw/zinc/98/00/63/624980063.db2.gz NEMRWWMCDWHUKG-QZTJIDSGSA-N 2 2 311.429 3.316 20 0 DGADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC(C)C ZINC000880569797 624980131 /nfs/dbraw/zinc/98/01/31/624980131.db2.gz PBLRHWDNHKRCGO-ZWKOTPCHSA-N 2 2 301.434 3.275 20 0 DGADLP Clc1cccc2c1[C@H]([NH2+]CCCNc1cccc[nH+]1)COC2 ZINC000788623685 625231524 /nfs/dbraw/zinc/23/15/24/625231524.db2.gz GBGNYPKDNHMVNZ-OAHLLOKOSA-N 2 2 317.820 3.398 20 0 DGADLP CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000796452207 626051450 /nfs/dbraw/zinc/05/14/50/626051450.db2.gz SECFQJWKTWZUHX-FQEVSTJZSA-N 2 2 321.424 3.258 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)c1OC ZINC000796780160 626081721 /nfs/dbraw/zinc/08/17/21/626081721.db2.gz HZLGHGLYGXRJNQ-LSDHHAIUSA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)c1OC ZINC000796780160 626081723 /nfs/dbraw/zinc/08/17/23/626081723.db2.gz HZLGHGLYGXRJNQ-LSDHHAIUSA-N 2 2 320.477 3.017 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1SC(C)(C)C ZINC000798184193 626200588 /nfs/dbraw/zinc/20/05/88/626200588.db2.gz RQYJABDFATYZBZ-KBPBESRZSA-N 2 2 310.507 3.150 20 0 DGADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1F ZINC000800224700 626343108 /nfs/dbraw/zinc/34/31/08/626343108.db2.gz JAMZHCISOPBTBI-HNNXBMFYSA-N 2 2 305.397 3.235 20 0 DGADLP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)OC1 ZINC000883243145 626621175 /nfs/dbraw/zinc/62/11/75/626621175.db2.gz BVQHMXSQBKCLMS-AWEZNQCLSA-N 2 2 322.415 3.198 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000883261318 626627276 /nfs/dbraw/zinc/62/72/76/626627276.db2.gz YJSIOKLXZZLZRG-HHXXYDBFSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000883261318 626627278 /nfs/dbraw/zinc/62/72/78/626627278.db2.gz YJSIOKLXZZLZRG-HHXXYDBFSA-N 2 2 301.478 3.318 20 0 DGADLP CO[C@H]1C[C@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883262040 626628184 /nfs/dbraw/zinc/62/81/84/626628184.db2.gz UMEPOQQGYWEVRE-KZNAEPCWSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@H]1C[C@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883262040 626628188 /nfs/dbraw/zinc/62/81/88/626628188.db2.gz UMEPOQQGYWEVRE-KZNAEPCWSA-N 2 2 302.462 3.054 20 0 DGADLP FC1(F)CCC[C@@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000883274012 626632204 /nfs/dbraw/zinc/63/22/04/626632204.db2.gz YBELFIXKDDMOGE-CQSZACIVSA-N 2 2 309.404 3.466 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322516 626647091 /nfs/dbraw/zinc/64/70/91/626647091.db2.gz JBEAVAXEVKTVHV-MEBIHWHUSA-N 2 2 313.489 3.460 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322516 626647093 /nfs/dbraw/zinc/64/70/93/626647093.db2.gz JBEAVAXEVKTVHV-MEBIHWHUSA-N 2 2 313.489 3.460 20 0 DGADLP COCCC[C@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883346686 626655261 /nfs/dbraw/zinc/65/52/61/626655261.db2.gz FETKACYLTLHDHU-LPHOPBHVSA-N 2 2 317.477 3.198 20 0 DGADLP COCCC[C@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883346686 626655263 /nfs/dbraw/zinc/65/52/63/626655263.db2.gz FETKACYLTLHDHU-LPHOPBHVSA-N 2 2 317.477 3.198 20 0 DGADLP COCC(C)(C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883345140 626655330 /nfs/dbraw/zinc/65/53/30/626655330.db2.gz SLKMSSAIRIZYGG-GOSISDBHSA-N 2 2 317.477 3.056 20 0 DGADLP COCC(C)(C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883345140 626655331 /nfs/dbraw/zinc/65/53/31/626655331.db2.gz SLKMSSAIRIZYGG-GOSISDBHSA-N 2 2 317.477 3.056 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(CO)c1 ZINC000883386221 626668750 /nfs/dbraw/zinc/66/87/50/626668750.db2.gz BUHGECNWJPYIMJ-OXQOHEQNSA-N 2 2 321.424 3.468 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388044 626669655 /nfs/dbraw/zinc/66/96/55/626669655.db2.gz LCIQBGKZXGLBFJ-HKUYNNGSSA-N 2 2 321.428 3.025 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000133432046 626786658 /nfs/dbraw/zinc/78/66/58/626786658.db2.gz IXJMRVXZQKBGFG-MDZLAQPJSA-N 2 2 317.260 3.411 20 0 DGADLP COc1cccc2cc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)oc21 ZINC000809756670 626947247 /nfs/dbraw/zinc/94/72/47/626947247.db2.gz ICJHSXWQIYHBSW-CQSZACIVSA-N 2 2 311.385 3.164 20 0 DGADLP COc1cccc2cc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)oc21 ZINC000809756670 626947250 /nfs/dbraw/zinc/94/72/50/626947250.db2.gz ICJHSXWQIYHBSW-CQSZACIVSA-N 2 2 311.385 3.164 20 0 DGADLP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(F)c1OC ZINC000885926591 627061686 /nfs/dbraw/zinc/06/16/86/627061686.db2.gz GJKCJQYMRVKMNO-AWEZNQCLSA-N 2 2 324.440 3.055 20 0 DGADLP FC(F)COc1ccccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000886012881 627083760 /nfs/dbraw/zinc/08/37/60/627083760.db2.gz RHWCBPQIFYWSCZ-UHFFFAOYSA-N 2 2 321.371 3.317 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC000886044513 627092449 /nfs/dbraw/zinc/09/24/49/627092449.db2.gz YYAWOXVHCJJKCD-IBGZPJMESA-N 2 2 323.444 3.371 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000886094813 627102128 /nfs/dbraw/zinc/10/21/28/627102128.db2.gz ZJARDMZPMCNSJM-KRWDZBQOSA-N 2 2 301.434 3.058 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000886094813 627102130 /nfs/dbraw/zinc/10/21/30/627102130.db2.gz ZJARDMZPMCNSJM-KRWDZBQOSA-N 2 2 301.434 3.058 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000886104728 627105581 /nfs/dbraw/zinc/10/55/81/627105581.db2.gz JBNDKRUCLAFXIX-ZOCIIQOWSA-N 2 2 311.429 3.481 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000886155746 627114106 /nfs/dbraw/zinc/11/41/06/627114106.db2.gz NLXNVXAPYPYOBV-SQNIBIBYSA-N 2 2 306.494 3.475 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000886155746 627114109 /nfs/dbraw/zinc/11/41/09/627114109.db2.gz NLXNVXAPYPYOBV-SQNIBIBYSA-N 2 2 306.494 3.475 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886175419 627117671 /nfs/dbraw/zinc/11/76/71/627117671.db2.gz ZYCHTFZEVBRZGN-HKUYNNGSSA-N 2 2 316.445 3.191 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cccnc32)cc1F ZINC000886512804 627155037 /nfs/dbraw/zinc/15/50/37/627155037.db2.gz NFDHTEDILMCAPW-KRWDZBQOSA-N 2 2 322.387 3.492 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccccc1 ZINC000886534207 627158387 /nfs/dbraw/zinc/15/83/87/627158387.db2.gz DBKGQWOFJGRZGD-ZWKOTPCHSA-N 2 2 318.424 3.376 20 0 DGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)[nH+]c1C ZINC000886668365 627184728 /nfs/dbraw/zinc/18/47/28/627184728.db2.gz RJKVQQNYQHTHMM-GFCCVEGCSA-N 2 2 315.421 3.228 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000886715991 627196982 /nfs/dbraw/zinc/19/69/82/627196982.db2.gz KZZXECZHFYAOPP-QGZVFWFLSA-N 2 2 322.880 3.324 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811507222 627283749 /nfs/dbraw/zinc/28/37/49/627283749.db2.gz VOGFWUGACGFAGY-NSHDSACASA-N 2 2 302.249 3.208 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811507222 627283750 /nfs/dbraw/zinc/28/37/50/627283750.db2.gz VOGFWUGACGFAGY-NSHDSACASA-N 2 2 302.249 3.208 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000815116709 627629163 /nfs/dbraw/zinc/62/91/63/627629163.db2.gz AMWUVVJYHDXDDL-INIZCTEOSA-N 2 2 305.397 3.235 20 0 DGADLP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cn2c([nH+]1)CCCC2 ZINC000924584411 627652441 /nfs/dbraw/zinc/65/24/41/627652441.db2.gz JOAVTIXJOVHSSA-MAUKXSAKSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccns1 ZINC000924600948 627655857 /nfs/dbraw/zinc/65/58/57/627655857.db2.gz BREMZWLAKQVTII-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccns1 ZINC000924600948 627655859 /nfs/dbraw/zinc/65/58/59/627655859.db2.gz BREMZWLAKQVTII-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924625028 627659332 /nfs/dbraw/zinc/65/93/32/627659332.db2.gz DVFXXTGWPFXHNB-UXHICEINSA-N 2 2 324.472 3.021 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924625028 627659333 /nfs/dbraw/zinc/65/93/33/627659333.db2.gz DVFXXTGWPFXHNB-UXHICEINSA-N 2 2 324.472 3.021 20 0 DGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924626472 627659580 /nfs/dbraw/zinc/65/95/80/627659580.db2.gz WBTFPMYJZIGTHU-MOPGFXCFSA-N 2 2 315.461 3.351 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000924684346 627667053 /nfs/dbraw/zinc/66/70/53/627667053.db2.gz DZRMMGRLDHCXGV-QRVBRYPASA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000924684346 627667055 /nfs/dbraw/zinc/66/70/55/627667055.db2.gz DZRMMGRLDHCXGV-QRVBRYPASA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000924684346 627667057 /nfs/dbraw/zinc/66/70/57/627667057.db2.gz DZRMMGRLDHCXGV-QRVBRYPASA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000924684346 627667058 /nfs/dbraw/zinc/66/70/58/627667058.db2.gz DZRMMGRLDHCXGV-QRVBRYPASA-N 3 2 307.526 3.105 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924699766 627669987 /nfs/dbraw/zinc/66/99/87/627669987.db2.gz ULIGEVMSRGYWBC-ROUUACIJSA-N 2 2 315.461 3.142 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924699766 627669990 /nfs/dbraw/zinc/66/99/90/627669990.db2.gz ULIGEVMSRGYWBC-ROUUACIJSA-N 2 2 315.461 3.142 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)[NH+]1CCCCC1 ZINC000924727336 627673299 /nfs/dbraw/zinc/67/32/99/627673299.db2.gz UMBKOWWWFQBDIG-AOIWGVFYSA-N 2 2 301.478 3.257 20 0 DGADLP Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728777 627674410 /nfs/dbraw/zinc/67/44/10/627674410.db2.gz HTWUEPDSCIJSFK-HIFRSBDPSA-N 2 2 302.422 3.261 20 0 DGADLP Clc1cccc2c1[C@@H]([NH2+]CCCCn1cc[nH+]c1)COC2 ZINC000924733342 627674993 /nfs/dbraw/zinc/67/49/93/627674993.db2.gz SQNCSLIRYXUKNV-HNNXBMFYSA-N 2 2 305.809 3.178 20 0 DGADLP CCCC[NH+]1CCC([NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000924846915 627686075 /nfs/dbraw/zinc/68/60/75/627686075.db2.gz QMTGXZIFIYFGJD-UHFFFAOYSA-N 3 2 309.542 3.351 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924846776 627686249 /nfs/dbraw/zinc/68/62/49/627686249.db2.gz PNLLYXPLDIRAEV-CQSZACIVSA-N 2 2 304.434 3.330 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576793 627686281 /nfs/dbraw/zinc/68/62/81/627686281.db2.gz YOLRWMTZDUUVPG-JVPBZIDWSA-N 2 2 300.446 3.078 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576793 627686283 /nfs/dbraw/zinc/68/62/83/627686283.db2.gz YOLRWMTZDUUVPG-JVPBZIDWSA-N 2 2 300.446 3.078 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873388 627689315 /nfs/dbraw/zinc/68/93/15/627689315.db2.gz KUKOBMJBWVKNAJ-CABCVRRESA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873388 627689320 /nfs/dbraw/zinc/68/93/20/627689320.db2.gz KUKOBMJBWVKNAJ-CABCVRRESA-N 2 2 318.490 3.044 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000925012012 627701335 /nfs/dbraw/zinc/70/13/35/627701335.db2.gz UMWAITZAAHJCBR-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012012 627701342 /nfs/dbraw/zinc/70/13/42/627701342.db2.gz UMWAITZAAHJCBR-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP OCCC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925121992 627710928 /nfs/dbraw/zinc/71/09/28/627710928.db2.gz GQDZXXRUVJTSJX-IPMKNSEASA-N 2 2 302.462 3.107 20 0 DGADLP OCCC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925121992 627710932 /nfs/dbraw/zinc/71/09/32/627710932.db2.gz GQDZXXRUVJTSJX-IPMKNSEASA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1(Cl)CC1 ZINC000925181910 627716344 /nfs/dbraw/zinc/71/63/44/627716344.db2.gz ZJUSUAQYNBMTCN-HIFRSBDPSA-N 2 2 303.837 3.453 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000925220906 627720895 /nfs/dbraw/zinc/72/08/95/627720895.db2.gz KKPWCSDSZIMKMP-UHFFFAOYSA-N 3 2 321.553 3.494 20 0 DGADLP CC(C)OCc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925480949 627741251 /nfs/dbraw/zinc/74/12/51/627741251.db2.gz MQNJMQSRKFTBNN-SFHVURJKSA-N 2 2 302.462 3.376 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1 ZINC000925511449 627745017 /nfs/dbraw/zinc/74/50/17/627745017.db2.gz NGADRJMGFLEWSH-DNVCBOLYSA-N 2 2 308.429 3.105 20 0 DGADLP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000925515556 627745594 /nfs/dbraw/zinc/74/55/94/627745594.db2.gz UKIGCVKLBCCELU-MPGHIAIKSA-N 2 2 304.478 3.293 20 0 DGADLP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000925515556 627745598 /nfs/dbraw/zinc/74/55/98/627745598.db2.gz UKIGCVKLBCCELU-MPGHIAIKSA-N 2 2 304.478 3.293 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@@H](c3ccccc3)[C@@H](C)[NH3+])nc21 ZINC000925525947 627747569 /nfs/dbraw/zinc/74/75/69/627747569.db2.gz GQUOYDNABCCAPB-AUUYWEPGSA-N 2 2 309.413 3.357 20 0 DGADLP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)co2)cc1 ZINC000925558886 627753759 /nfs/dbraw/zinc/75/37/59/627753759.db2.gz SCCUSWVKEHWYRJ-QGZVFWFLSA-N 2 2 311.429 3.067 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])cs1 ZINC000925565164 627755144 /nfs/dbraw/zinc/75/51/44/627755144.db2.gz PPTCMCOGDRTZQD-XJKSGUPXSA-N 2 2 303.475 3.487 20 0 DGADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)[C@H]2C1 ZINC000925579421 627758108 /nfs/dbraw/zinc/75/81/08/627758108.db2.gz FNPCDJMEAOTIIK-IXDOHACOSA-N 2 2 324.534 3.038 20 0 DGADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)[C@H]2C1 ZINC000925579421 627758112 /nfs/dbraw/zinc/75/81/12/627758112.db2.gz FNPCDJMEAOTIIK-IXDOHACOSA-N 2 2 324.534 3.038 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000925590567 627759800 /nfs/dbraw/zinc/75/98/00/627759800.db2.gz JIMGUJNGUGPKQJ-IAGOWNOFSA-N 2 2 324.472 3.223 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000925606359 627761339 /nfs/dbraw/zinc/76/13/39/627761339.db2.gz NKKUZSHURRWUMN-BEFAXECRSA-N 2 2 314.429 3.227 20 0 DGADLP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000925611216 627762105 /nfs/dbraw/zinc/76/21/05/627762105.db2.gz KPQHMGWREAMFGI-ZACQAIPSSA-N 2 2 319.493 3.302 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)N[C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000925621256 627764224 /nfs/dbraw/zinc/76/42/24/627764224.db2.gz GKGMMQMPJQNWTN-OALUTQOASA-N 2 2 324.472 3.115 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1 ZINC000925632051 627765336 /nfs/dbraw/zinc/76/53/36/627765336.db2.gz ZILIDHUBHRBUPO-YWZLYKJASA-N 2 2 320.440 3.265 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925639937 627767477 /nfs/dbraw/zinc/76/74/77/627767477.db2.gz NJKSDIPEIYGRHR-LMSBXDPUSA-N 2 2 316.493 3.208 20 0 DGADLP c1ccc([C@@H](Cc2ccccn2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925641999 627768127 /nfs/dbraw/zinc/76/81/27/627768127.db2.gz FHDGXHAGHDKQOI-RTBURBONSA-N 2 2 307.441 3.240 20 0 DGADLP COCCCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925664592 627773438 /nfs/dbraw/zinc/77/34/38/627773438.db2.gz ZLJPPYKGLSZGOY-MSOLQXFVSA-N 2 2 302.462 3.419 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)ccc2n1C1CC1 ZINC000925668321 627774050 /nfs/dbraw/zinc/77/40/50/627774050.db2.gz YNGXSRKSBGHSCA-GOSISDBHSA-N 2 2 324.472 3.308 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C12CCC2 ZINC000925731875 627784568 /nfs/dbraw/zinc/78/45/68/627784568.db2.gz VMOAJPAYSUTYIF-GHMZBOCLSA-N 2 2 319.758 3.113 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C12CCC2 ZINC000925731889 627784680 /nfs/dbraw/zinc/78/46/80/627784680.db2.gz VMOAJPAYSUTYIF-WDEREUQCSA-N 2 2 319.758 3.113 20 0 DGADLP Cc1cc(C)cc([C@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925750274 627786854 /nfs/dbraw/zinc/78/68/54/627786854.db2.gz HCBWHWAZOZDNBM-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1cc(C)cc([C@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925750274 627786855 /nfs/dbraw/zinc/78/68/55/627786855.db2.gz HCBWHWAZOZDNBM-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C)cc1 ZINC000925798333 627797232 /nfs/dbraw/zinc/79/72/32/627797232.db2.gz WCYIUJPAVWGAJC-MSOLQXFVSA-N 2 2 302.462 3.194 20 0 DGADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000925839685 627803384 /nfs/dbraw/zinc/80/33/84/627803384.db2.gz CFXVXDQZLYBBNK-ATZDWAIDSA-N 3 2 310.445 3.055 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCS[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000925861222 627807967 /nfs/dbraw/zinc/80/79/67/627807967.db2.gz OIMJQUAZKBYTGG-DHXZDTOLSA-N 2 2 320.502 3.362 20 0 DGADLP Cc1cccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccn2)c1 ZINC000926202121 627860336 /nfs/dbraw/zinc/86/03/36/627860336.db2.gz BFRKLROMQBEAEX-IBGZPJMESA-N 2 2 306.413 3.045 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(-c2ccccc2)no1 ZINC000926223820 627864802 /nfs/dbraw/zinc/86/48/02/627864802.db2.gz FMEWMKJUGIFMBW-UKRRQHHQSA-N 2 2 308.385 3.204 20 0 DGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(C2CCC2)c1 ZINC000926338008 627881490 /nfs/dbraw/zinc/88/14/90/627881490.db2.gz VDWFCGZOPSUOSI-NXVRBGIVSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676088 627930841 /nfs/dbraw/zinc/93/08/41/627930841.db2.gz SXNBCBZNOFNCPV-DBVUQKKJSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676088 627930842 /nfs/dbraw/zinc/93/08/42/627930842.db2.gz SXNBCBZNOFNCPV-DBVUQKKJSA-N 3 2 315.505 3.416 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817892990 627953742 /nfs/dbraw/zinc/95/37/42/627953742.db2.gz XGFVGSNHTZPOLE-UONOGXRCSA-N 2 2 315.230 3.338 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817894900 627954235 /nfs/dbraw/zinc/95/42/35/627954235.db2.gz SIRNPTTWCQUUFK-FHLIZLRMSA-N 2 2 304.478 3.138 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926789842 627954878 /nfs/dbraw/zinc/95/48/78/627954878.db2.gz KSBMCJDQYKRMML-YRPNKDGESA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926789842 627954884 /nfs/dbraw/zinc/95/48/84/627954884.db2.gz KSBMCJDQYKRMML-YRPNKDGESA-N 2 2 314.473 3.371 20 0 DGADLP COc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1OC(C)C ZINC000817901205 627956480 /nfs/dbraw/zinc/95/64/80/627956480.db2.gz UBQJULVXBJAYST-CYBMUJFWSA-N 2 2 315.417 3.141 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817904092 627957140 /nfs/dbraw/zinc/95/71/40/627957140.db2.gz SXRGRNOQDYPWIO-UKRRQHHQSA-N 2 2 318.440 3.113 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906390 627958924 /nfs/dbraw/zinc/95/89/24/627958924.db2.gz ZLDCGLVCKGXRKY-HZSPNIEDSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000817924807 627963032 /nfs/dbraw/zinc/96/30/32/627963032.db2.gz KAJKLDRQTQZXRX-BEVDRBHNSA-N 2 2 310.441 3.117 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000817953337 627973002 /nfs/dbraw/zinc/97/30/02/627973002.db2.gz KRDGSFXJUNGLTB-SFHVURJKSA-N 2 2 318.461 3.085 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCOC12CCCCC2)c1cccnc1 ZINC000926902061 627975287 /nfs/dbraw/zinc/97/52/87/627975287.db2.gz UOKCHEPKCXDOME-ZWKOTPCHSA-N 2 2 317.477 3.156 20 0 DGADLP CCC(CC)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957176 627989946 /nfs/dbraw/zinc/98/99/46/627989946.db2.gz GRVFVRIBBJNBSX-UHFFFAOYSA-N 2 2 304.478 3.446 20 0 DGADLP CCC(CC)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957176 627989951 /nfs/dbraw/zinc/98/99/51/627989951.db2.gz GRVFVRIBBJNBSX-UHFFFAOYSA-N 2 2 304.478 3.446 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000818340982 628015948 /nfs/dbraw/zinc/01/59/48/628015948.db2.gz UJSPDNALECKUBU-RTBURBONSA-N 2 2 323.440 3.152 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC000819340236 628136330 /nfs/dbraw/zinc/13/63/30/628136330.db2.gz UCXSJGLILHRNDI-OALUTQOASA-N 2 2 304.478 3.129 20 0 DGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000820809172 628299225 /nfs/dbraw/zinc/29/92/25/628299225.db2.gz VVAJKOAODYYSKD-WMZOPIPTSA-N 2 2 313.445 3.293 20 0 DGADLP Cc1cnccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000823943066 628611479 /nfs/dbraw/zinc/61/14/79/628611479.db2.gz CPTBBKLTMNNVCP-UHFFFAOYSA-N 2 2 324.472 3.215 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(F)ncc1F ZINC000824196644 628636046 /nfs/dbraw/zinc/63/60/46/628636046.db2.gz VMNRLUACZRXSBC-UHFFFAOYSA-N 2 2 311.420 3.494 20 0 DGADLP CCC[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824543371 628669084 /nfs/dbraw/zinc/66/90/84/628669084.db2.gz ITOLKZOTINLZPN-IBGZPJMESA-N 2 2 319.493 3.126 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c2)[nH+]c1C ZINC000827600749 628975934 /nfs/dbraw/zinc/97/59/34/628975934.db2.gz QBXSRSVKZHRRAG-BZNIZROVSA-N 2 2 314.433 3.251 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c2)[nH+]c1C ZINC000827600751 628975955 /nfs/dbraw/zinc/97/59/55/628975955.db2.gz QBXSRSVKZHRRAG-ZBEGNZNMSA-N 2 2 314.433 3.251 20 0 DGADLP CCC[NH2+][C@H](C)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000827600982 628976066 /nfs/dbraw/zinc/97/60/66/628976066.db2.gz RBGGBMNUOHDWMN-CYBMUJFWSA-N 2 2 300.406 3.020 20 0 DGADLP Cc1ccc2c(C[NH2+]C(C)(C)C[NH+]3CCCC3)cc(=O)oc2c1 ZINC000832755813 629510693 /nfs/dbraw/zinc/51/06/93/629510693.db2.gz DLGDQZPLRQKKGB-UHFFFAOYSA-N 2 2 314.429 3.065 20 0 DGADLP Cc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000840872288 630370312 /nfs/dbraw/zinc/37/03/12/630370312.db2.gz JNHQRYAWYQGBKU-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000840872288 630370313 /nfs/dbraw/zinc/37/03/13/630370313.db2.gz JNHQRYAWYQGBKU-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]CCC[NH2+]Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000841042142 630400519 /nfs/dbraw/zinc/40/05/19/630400519.db2.gz LTNRRAXQNSGAOZ-UHFFFAOYSA-N 2 2 320.868 3.150 20 0 DGADLP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000842471914 630538748 /nfs/dbraw/zinc/53/87/48/630538748.db2.gz GVMVDIKXTKJKFO-KRWDZBQOSA-N 2 2 312.404 3.247 20 0 DGADLP [NH3+]CCCCCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000842471914 630538749 /nfs/dbraw/zinc/53/87/49/630538749.db2.gz GVMVDIKXTKJKFO-KRWDZBQOSA-N 2 2 312.404 3.247 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000842476913 630540075 /nfs/dbraw/zinc/54/00/75/630540075.db2.gz WTYJDGHVHIZPIM-HNNXBMFYSA-N 2 2 303.837 3.366 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000842829704 630581264 /nfs/dbraw/zinc/58/12/64/630581264.db2.gz LHAUFTKUJKOYTP-WMLDXEAASA-N 2 2 315.465 3.181 20 0 DGADLP FC1(F)C[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000844440723 630730134 /nfs/dbraw/zinc/73/01/34/630730134.db2.gz SZLBGXGQXMUPGU-MRXNPFEDSA-N 2 2 303.356 3.494 20 0 DGADLP FC1(F)C[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000844440723 630730135 /nfs/dbraw/zinc/73/01/35/630730135.db2.gz SZLBGXGQXMUPGU-MRXNPFEDSA-N 2 2 303.356 3.494 20 0 DGADLP c1cn(-c2cccc(-c3noc([C@@H]4CC[C@@H](C5CC5)[NH2+]4)n3)c2)c[nH+]1 ZINC000844910209 630977178 /nfs/dbraw/zinc/97/71/78/630977178.db2.gz MNFOFGNQTMILRI-HOTGVXAUSA-N 2 2 321.384 3.125 20 0 DGADLP C[C@]1(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@]1(F)Cl ZINC000846037123 631207419 /nfs/dbraw/zinc/20/74/19/631207419.db2.gz YWNRHKIUOBFGKQ-HOTGVXAUSA-N 2 2 311.832 3.345 20 0 DGADLP CC1CCN(C(=[NH2+])NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000849088957 631832893 /nfs/dbraw/zinc/83/28/93/631832893.db2.gz BEGBPWSPHYCQSO-MRXNPFEDSA-N 2 2 322.884 3.199 20 0 DGADLP CC(C)NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000849100990 631835998 /nfs/dbraw/zinc/83/59/98/631835998.db2.gz TWVCJTHLUXESBS-INIZCTEOSA-N 2 2 322.884 3.217 20 0 DGADLP CC(C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000849100990 631836002 /nfs/dbraw/zinc/83/60/02/631836002.db2.gz TWVCJTHLUXESBS-INIZCTEOSA-N 2 2 322.884 3.217 20 0 DGADLP [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)NC1CCC1 ZINC000849110277 631837867 /nfs/dbraw/zinc/83/78/67/631837867.db2.gz FLUPMGMDVPBTLC-INIZCTEOSA-N 2 2 320.868 3.143 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(N)c3)CC2)cc1 ZINC000849349697 631900785 /nfs/dbraw/zinc/90/07/85/631900785.db2.gz FBIMKWGESDDEQX-UHFFFAOYSA-N 2 2 324.472 3.093 20 0 DGADLP c1cc(CNc2ccc([NH+]3CCCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000850044237 632037550 /nfs/dbraw/zinc/03/75/50/632037550.db2.gz GQWFPQIAHQBHQP-UHFFFAOYSA-N 2 2 319.412 3.480 20 0 DGADLP Fc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000852016091 632538955 /nfs/dbraw/zinc/53/89/55/632538955.db2.gz ULPUHXBTCGDYQZ-AWEZNQCLSA-N 2 2 314.408 3.133 20 0 DGADLP Fc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000852016091 632538958 /nfs/dbraw/zinc/53/89/58/632538958.db2.gz ULPUHXBTCGDYQZ-AWEZNQCLSA-N 2 2 314.408 3.133 20 0 DGADLP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1cscn1)c1cscn1 ZINC000852416263 632600813 /nfs/dbraw/zinc/60/08/13/632600813.db2.gz HAHIUTVXGLDJOM-ROUHBEFFSA-N 2 2 308.476 3.157 20 0 DGADLP CC(C)(C)c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)co1 ZINC000929274982 660493925 /nfs/dbraw/zinc/49/39/25/660493925.db2.gz DFSZGZULZPERDP-UHFFFAOYSA-N 2 2 305.466 3.280 20 0 DGADLP CC[NH2+]Cc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001034821178 660797458 /nfs/dbraw/zinc/79/74/58/660797458.db2.gz WVVKWENVUDACDK-UHFFFAOYSA-N 2 2 311.429 3.046 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000793290058 661021505 /nfs/dbraw/zinc/02/15/05/661021505.db2.gz RDQQNXOFZQZNEH-PBHICJAKSA-N 2 2 305.441 3.353 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)n(C)n1 ZINC000793535020 661043076 /nfs/dbraw/zinc/04/30/76/661043076.db2.gz OJONETLGDSQAGX-DOTOQJQBSA-N 2 2 323.444 3.097 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000253190301 655548133 /nfs/dbraw/zinc/54/81/33/655548133.db2.gz KWRHTYBTNXMQOJ-DGCLKSJQSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000253190301 655548135 /nfs/dbraw/zinc/54/81/35/655548135.db2.gz KWRHTYBTNXMQOJ-DGCLKSJQSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)cc2c1OCC2 ZINC000933270240 655693555 /nfs/dbraw/zinc/69/35/55/655693555.db2.gz ACYQUTFWZIUPEK-GFCCVEGCSA-N 2 2 305.809 3.212 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000934342651 655769336 /nfs/dbraw/zinc/76/93/36/655769336.db2.gz AORASNZFPUKWCG-GOSISDBHSA-N 2 2 303.450 3.103 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000934342651 655769337 /nfs/dbraw/zinc/76/93/37/655769337.db2.gz AORASNZFPUKWCG-GOSISDBHSA-N 2 2 303.450 3.103 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000261858640 657141699 /nfs/dbraw/zinc/14/16/99/657141699.db2.gz SAENVUCNDNONRZ-QGZVFWFLSA-N 2 2 319.836 3.474 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000261858640 657141706 /nfs/dbraw/zinc/14/17/06/657141706.db2.gz SAENVUCNDNONRZ-QGZVFWFLSA-N 2 2 319.836 3.474 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000252955630 657643849 /nfs/dbraw/zinc/64/38/49/657643849.db2.gz IXJMRVXZQKBGFG-NQBHXWOUSA-N 2 2 317.260 3.411 20 0 DGADLP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1[NH2+]C(C)C ZINC001037893967 658503983 /nfs/dbraw/zinc/50/39/83/658503983.db2.gz RXRLAJQHYPPORL-DLBZAZTESA-N 2 2 317.477 3.246 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1 ZINC000054601586 658731725 /nfs/dbraw/zinc/73/17/25/658731725.db2.gz DWAIURHBKSVNHF-GOOCMWNKSA-N 2 2 309.251 3.293 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1 ZINC000054601586 658731730 /nfs/dbraw/zinc/73/17/30/658731730.db2.gz DWAIURHBKSVNHF-GOOCMWNKSA-N 2 2 309.251 3.293 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000164722896 658943278 /nfs/dbraw/zinc/94/32/78/658943278.db2.gz ZVSCAYJIOHFFPH-UYAOXDASSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000164722896 658943279 /nfs/dbraw/zinc/94/32/79/658943279.db2.gz ZVSCAYJIOHFFPH-UYAOXDASSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2)cc1 ZINC000164722896 658943281 /nfs/dbraw/zinc/94/32/81/658943281.db2.gz ZVSCAYJIOHFFPH-UYAOXDASSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2)cc1 ZINC000164722896 658943283 /nfs/dbraw/zinc/94/32/83/658943283.db2.gz ZVSCAYJIOHFFPH-UYAOXDASSA-N 2 2 324.472 3.232 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000157479543 659065672 /nfs/dbraw/zinc/06/56/72/659065672.db2.gz ZNFTWQNWYAEJHW-UHFFFAOYSA-N 2 2 314.429 3.018 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000157479543 659065678 /nfs/dbraw/zinc/06/56/78/659065678.db2.gz ZNFTWQNWYAEJHW-UHFFFAOYSA-N 2 2 314.429 3.018 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)C[C@H]1C ZINC000929782506 661338168 /nfs/dbraw/zinc/33/81/68/661338168.db2.gz VVKXMVRINGDLCB-INMHGKMJSA-N 2 2 318.461 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)C[C@H]1C ZINC000929782506 661338170 /nfs/dbraw/zinc/33/81/70/661338170.db2.gz VVKXMVRINGDLCB-INMHGKMJSA-N 2 2 318.461 3.016 20 0 DGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)nn1 ZINC000929980471 661355248 /nfs/dbraw/zinc/35/52/48/661355248.db2.gz FPWYJGBXVSUNND-UHFFFAOYSA-N 2 2 324.472 3.190 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)nn1 ZINC000929980471 661355249 /nfs/dbraw/zinc/35/52/49/661355249.db2.gz FPWYJGBXVSUNND-UHFFFAOYSA-N 2 2 324.472 3.190 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930095567 661365937 /nfs/dbraw/zinc/36/59/37/661365937.db2.gz YJOWAIBTIDZJKX-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930095567 661365939 /nfs/dbraw/zinc/36/59/39/661365939.db2.gz YJOWAIBTIDZJKX-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000930093457 661366008 /nfs/dbraw/zinc/36/60/08/661366008.db2.gz KVRGUFDDVUNIAC-CYBMUJFWSA-N 2 2 318.490 3.472 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)sc1C(C)(C)C ZINC000930093457 661366010 /nfs/dbraw/zinc/36/60/10/661366010.db2.gz KVRGUFDDVUNIAC-CYBMUJFWSA-N 2 2 318.490 3.472 20 0 DGADLP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC(Nc4cccc[nH+]4)CC3)C[C@@H]21 ZINC000930129223 661369516 /nfs/dbraw/zinc/36/95/16/661369516.db2.gz LMKVBZNCPOHMFC-XMQYKBBCSA-N 2 2 307.388 3.249 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000930171225 661373123 /nfs/dbraw/zinc/37/31/23/661373123.db2.gz NDPJUOPFCKZJLH-KGLIPLIRSA-N 2 2 320.399 3.047 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC2 ZINC000930171225 661373126 /nfs/dbraw/zinc/37/31/26/661373126.db2.gz NDPJUOPFCKZJLH-KGLIPLIRSA-N 2 2 320.399 3.047 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460035 661400937 /nfs/dbraw/zinc/40/09/37/661400937.db2.gz LGLWVENJUYSSJR-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460035 661400938 /nfs/dbraw/zinc/40/09/38/661400938.db2.gz LGLWVENJUYSSJR-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1cnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460035 661400939 /nfs/dbraw/zinc/40/09/39/661400939.db2.gz LGLWVENJUYSSJR-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1cnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460035 661400940 /nfs/dbraw/zinc/40/09/40/661400940.db2.gz LGLWVENJUYSSJR-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000930585857 661413222 /nfs/dbraw/zinc/41/32/22/661413222.db2.gz CIFZBLFVMZXERF-OAHLLOKOSA-N 2 2 305.809 3.333 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000930585857 661413223 /nfs/dbraw/zinc/41/32/23/661413223.db2.gz CIFZBLFVMZXERF-OAHLLOKOSA-N 2 2 305.809 3.333 20 0 DGADLP Cc1cccc([C@@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000930614732 661415630 /nfs/dbraw/zinc/41/56/30/661415630.db2.gz GTFQVHDHXFHWLV-NRFANRHFSA-N 2 2 324.468 3.283 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000931719114 661501881 /nfs/dbraw/zinc/50/18/81/661501881.db2.gz KCIVZHWVCRNJOB-QKLQHJQFSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000931719114 661501882 /nfs/dbraw/zinc/50/18/82/661501882.db2.gz KCIVZHWVCRNJOB-QKLQHJQFSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000931719114 661501883 /nfs/dbraw/zinc/50/18/83/661501883.db2.gz KCIVZHWVCRNJOB-QKLQHJQFSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000931719114 661501884 /nfs/dbraw/zinc/50/18/84/661501884.db2.gz KCIVZHWVCRNJOB-QKLQHJQFSA-N 2 2 310.441 3.042 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720521 661502258 /nfs/dbraw/zinc/50/22/58/661502258.db2.gz YUGHGGZMISFJSB-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720521 661502259 /nfs/dbraw/zinc/50/22/59/661502259.db2.gz YUGHGGZMISFJSB-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720521 661502262 /nfs/dbraw/zinc/50/22/62/661502262.db2.gz YUGHGGZMISFJSB-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720521 661502264 /nfs/dbraw/zinc/50/22/64/661502264.db2.gz YUGHGGZMISFJSB-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H]1COCC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000192664302 662107714 /nfs/dbraw/zinc/10/77/14/662107714.db2.gz QRZYPHSLOKFBTD-HNAYVOBHSA-N 2 2 317.477 3.054 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000194724342 662172157 /nfs/dbraw/zinc/17/21/57/662172157.db2.gz GOQQRAKUANKNOM-RBUKOAKNSA-N 2 2 300.446 3.179 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000194724342 662172158 /nfs/dbraw/zinc/17/21/58/662172158.db2.gz GOQQRAKUANKNOM-RBUKOAKNSA-N 2 2 300.446 3.179 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718075688 662216640 /nfs/dbraw/zinc/21/66/40/662216640.db2.gz WCBGENXZZHRXTK-YVWKXTFCSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718075688 662216641 /nfs/dbraw/zinc/21/66/41/662216641.db2.gz WCBGENXZZHRXTK-YVWKXTFCSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000247253605 662304902 /nfs/dbraw/zinc/30/49/02/662304902.db2.gz ZVSCAYJIOHFFPH-AZUAARDMSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000247253605 662304903 /nfs/dbraw/zinc/30/49/03/662304903.db2.gz ZVSCAYJIOHFFPH-AZUAARDMSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2)cc1 ZINC000247253605 662304904 /nfs/dbraw/zinc/30/49/04/662304904.db2.gz ZVSCAYJIOHFFPH-AZUAARDMSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2)cc1 ZINC000247253605 662304905 /nfs/dbraw/zinc/30/49/05/662304905.db2.gz ZVSCAYJIOHFFPH-AZUAARDMSA-N 2 2 324.472 3.232 20 0 DGADLP COc1cccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)oc21 ZINC000092648513 662333454 /nfs/dbraw/zinc/33/34/54/662333454.db2.gz AOECEEKOWHICTL-UHFFFAOYSA-N 2 2 311.385 3.475 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000387847886 685185930 /nfs/dbraw/zinc/18/59/30/685185930.db2.gz BBUSJZRXRNZWGB-BRWVUGGUSA-N 3 2 306.498 3.198 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138681 685199930 /nfs/dbraw/zinc/19/99/30/685199930.db2.gz FWRAPNVZHPHUPK-CWFSZBLJSA-N 2 2 314.473 3.079 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138681 685199933 /nfs/dbraw/zinc/19/99/33/685199933.db2.gz FWRAPNVZHPHUPK-CWFSZBLJSA-N 2 2 314.473 3.079 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958695 685220409 /nfs/dbraw/zinc/22/04/09/685220409.db2.gz KSVGLBJTXURIAL-KPFFTGBYSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000393958695 685220415 /nfs/dbraw/zinc/22/04/15/685220415.db2.gz KSVGLBJTXURIAL-KPFFTGBYSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747738 1191867042 /nfs/dbraw/zinc/86/70/42/1191867042.db2.gz CZZYNZHRUDXJLR-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001578589796 1191948801 /nfs/dbraw/zinc/94/88/01/1191948801.db2.gz JARRMQXPGNSPPR-OAHLLOKOSA-N 2 2 314.433 3.143 20 0 DGADLP COc1cc(C)ccc1Oc1ccccc1C[NH2+][C@@H](C)C[NH3+] ZINC001579146734 1191967092 /nfs/dbraw/zinc/96/70/92/1191967092.db2.gz RYUUQZWZKFZZPP-AWEZNQCLSA-N 2 2 300.402 3.233 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001579440687 1191976769 /nfs/dbraw/zinc/97/67/69/1191976769.db2.gz QMCJLNPOOFXAEJ-MWLCHTKSSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001579440687 1191976772 /nfs/dbraw/zinc/97/67/72/1191976772.db2.gz QMCJLNPOOFXAEJ-MWLCHTKSSA-N 2 2 306.759 3.385 20 0 DGADLP Cc1c2ccccc2sc1[C@@H](C)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001579544029 1191979472 /nfs/dbraw/zinc/97/94/72/1191979472.db2.gz PCKVBBKHZJBXDT-GZBFAFLISA-N 2 2 304.459 3.237 20 0 DGADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccn2C2CC2)cc1 ZINC001580033416 1192004262 /nfs/dbraw/zinc/00/42/62/1192004262.db2.gz MBZFPIVXSQMRLW-RTBURBONSA-N 2 2 313.420 3.197 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158648 1192011076 /nfs/dbraw/zinc/01/10/76/1192011076.db2.gz VJULNEYDTBYXMM-DYVFJYSZSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158648 1192011078 /nfs/dbraw/zinc/01/10/78/1192011078.db2.gz VJULNEYDTBYXMM-DYVFJYSZSA-N 2 2 301.821 3.201 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnsc1 ZINC001620832637 1192320660 /nfs/dbraw/zinc/32/06/60/1192320660.db2.gz MEGUZVZPFWCOPZ-HWWDLCQESA-N 2 2 315.486 3.389 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnsc1 ZINC001620832637 1192320663 /nfs/dbraw/zinc/32/06/63/1192320663.db2.gz MEGUZVZPFWCOPZ-HWWDLCQESA-N 2 2 315.486 3.389 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC001620871451 1192503482 /nfs/dbraw/zinc/50/34/82/1192503482.db2.gz AREWOVKRZNCQBB-LNLFQRSKSA-N 2 2 313.445 3.398 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890409 1192557518 /nfs/dbraw/zinc/55/75/18/1192557518.db2.gz LXIQXMZGGOLCBW-OAHLLOKOSA-N 2 2 321.428 3.330 20 0 DGADLP CCc1ncc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000084014446 1176368112 /nfs/dbraw/zinc/36/81/12/1176368112.db2.gz MBENPSCOGHWBCD-UHFFFAOYSA-N 2 2 312.442 3.240 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395177927 1176785663 /nfs/dbraw/zinc/78/56/63/1176785663.db2.gz GPGJTIHWXNTZAH-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395177927 1176785671 /nfs/dbraw/zinc/78/56/71/1176785671.db2.gz GPGJTIHWXNTZAH-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cn(C(C)(C)C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)c[nH+]1 ZINC001598442001 1192774421 /nfs/dbraw/zinc/77/44/21/1192774421.db2.gz XRUDUXLXLGLGRZ-UHFFFAOYSA-N 2 2 324.428 3.043 20 0 DGADLP Cc1cn(C(C)(C)C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)c[nH+]1 ZINC001598442001 1192774425 /nfs/dbraw/zinc/77/44/25/1192774425.db2.gz XRUDUXLXLGLGRZ-UHFFFAOYSA-N 2 2 324.428 3.043 20 0 DGADLP CCCn1c[nH+]cc1CNc1ccc(C)cc1OCC[NH+](C)C ZINC001178118865 1177793204 /nfs/dbraw/zinc/79/32/04/1177793204.db2.gz NGIMDKARUXSQIT-UHFFFAOYSA-N 2 2 316.449 3.154 20 0 DGADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccccc1N1CCCC1 ZINC001332361285 1178427932 /nfs/dbraw/zinc/42/79/32/1178427932.db2.gz XZKJWDUDMCPVFI-UHFFFAOYSA-N 2 2 323.484 3.290 20 0 DGADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccccc1N1CCCC1 ZINC001332361285 1178427938 /nfs/dbraw/zinc/42/79/38/1178427938.db2.gz XZKJWDUDMCPVFI-UHFFFAOYSA-N 2 2 323.484 3.290 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)[nH+]c1C ZINC001333257334 1178577857 /nfs/dbraw/zinc/57/78/57/1178577857.db2.gz LWRPDGMXQQCZIA-UHFFFAOYSA-N 2 2 312.417 3.151 20 0 DGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001334887282 1178821113 /nfs/dbraw/zinc/82/11/13/1178821113.db2.gz JOBCYAAZFPKLDY-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001341584409 1179033488 /nfs/dbraw/zinc/03/34/88/1179033488.db2.gz DWFYUHNGVIYDCE-COXVUDFISA-N 2 2 324.428 3.326 20 0 DGADLP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001344554540 1179450621 /nfs/dbraw/zinc/45/06/21/1179450621.db2.gz BFRVEXDDQRLACA-MEDUHNTESA-N 2 2 314.433 3.396 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001345077446 1179523040 /nfs/dbraw/zinc/52/30/40/1179523040.db2.gz QNMRVUPSHYXNPY-MAUKXSAKSA-N 2 2 314.429 3.288 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001345077446 1179523044 /nfs/dbraw/zinc/52/30/44/1179523044.db2.gz QNMRVUPSHYXNPY-MAUKXSAKSA-N 2 2 314.429 3.288 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001349487405 1179909683 /nfs/dbraw/zinc/90/96/83/1179909683.db2.gz SMDHZNVFEKCDLC-IOASZLSFSA-N 2 2 301.459 3.286 20 0 DGADLP CO[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC001350957292 1180150335 /nfs/dbraw/zinc/15/03/35/1180150335.db2.gz QHCDRFQEOFNLCK-OKZBNKHCSA-N 2 2 306.425 3.120 20 0 DGADLP CO[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC001350957292 1180150339 /nfs/dbraw/zinc/15/03/39/1180150339.db2.gz QHCDRFQEOFNLCK-OKZBNKHCSA-N 2 2 306.425 3.120 20 0 DGADLP CC(C)CC[C@@H](O)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001356532470 1181210095 /nfs/dbraw/zinc/21/00/95/1181210095.db2.gz KNXNELCOJMSAEX-QZTJIDSGSA-N 2 2 315.461 3.091 20 0 DGADLP CCCN(CC[NH+]1CCCCCC1)c1cc(C)[nH+]c(CC)n1 ZINC001458413927 1182521850 /nfs/dbraw/zinc/52/18/50/1182521850.db2.gz JFAWHRCGNFUGKS-UHFFFAOYSA-N 2 2 304.482 3.440 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965286 1182634467 /nfs/dbraw/zinc/63/44/67/1182634467.db2.gz HWCPJAJCQBSEMW-AABGKKOBSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965286 1182634470 /nfs/dbraw/zinc/63/44/70/1182634470.db2.gz HWCPJAJCQBSEMW-AABGKKOBSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459965286 1182634473 /nfs/dbraw/zinc/63/44/73/1182634473.db2.gz HWCPJAJCQBSEMW-AABGKKOBSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459965286 1182634477 /nfs/dbraw/zinc/63/44/77/1182634477.db2.gz HWCPJAJCQBSEMW-AABGKKOBSA-N 2 2 318.505 3.380 20 0 DGADLP CCCCOC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460571816 1182696681 /nfs/dbraw/zinc/69/66/81/1182696681.db2.gz WCEXPTZOJAJRLV-INIZCTEOSA-N 2 2 320.477 3.302 20 0 DGADLP CCCCOC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001460571816 1182696684 /nfs/dbraw/zinc/69/66/84/1182696684.db2.gz WCEXPTZOJAJRLV-INIZCTEOSA-N 2 2 320.477 3.302 20 0 DGADLP CC[C@H](OCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC001460772951 1182719461 /nfs/dbraw/zinc/71/94/61/1182719461.db2.gz HMAPFXQYRWFEHI-OTWHNJEPSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@H](OCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC001460772951 1182719464 /nfs/dbraw/zinc/71/94/64/1182719464.db2.gz HMAPFXQYRWFEHI-OTWHNJEPSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@H](OCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC001460772951 1182719469 /nfs/dbraw/zinc/71/94/69/1182719469.db2.gz HMAPFXQYRWFEHI-OTWHNJEPSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@H](OCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC001460772951 1182719477 /nfs/dbraw/zinc/71/94/77/1182719477.db2.gz HMAPFXQYRWFEHI-OTWHNJEPSA-N 2 2 302.462 3.323 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001460978302 1182750294 /nfs/dbraw/zinc/75/02/94/1182750294.db2.gz ZNRNJNCFWQPZEH-INIZCTEOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001460978302 1182750299 /nfs/dbraw/zinc/75/02/99/1182750299.db2.gz ZNRNJNCFWQPZEH-INIZCTEOSA-N 2 2 313.449 3.116 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048807 1182901640 /nfs/dbraw/zinc/90/16/40/1182901640.db2.gz DPNPHNGQJLQALZ-IAGOWNOFSA-N 2 2 302.462 3.189 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048807 1182901646 /nfs/dbraw/zinc/90/16/46/1182901646.db2.gz DPNPHNGQJLQALZ-IAGOWNOFSA-N 2 2 302.462 3.189 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000068353056 1195715945 /nfs/dbraw/zinc/71/59/45/1195715945.db2.gz JQJJTCYNFDYSBM-JTQLQIEISA-N 2 2 305.249 3.432 20 0 DGADLP CC(C)[NH+](CCNc1nc2ccccc2n2c[nH+]cc12)C(C)C ZINC001472638691 1183659101 /nfs/dbraw/zinc/65/91/01/1183659101.db2.gz LBRDRKXSIBDRHJ-UHFFFAOYSA-N 2 2 311.433 3.413 20 0 DGADLP Cc1nc(NC[C@@H](C)C[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC001472663736 1183662678 /nfs/dbraw/zinc/66/26/78/1183662678.db2.gz GRSQHOMSKIDWCJ-CQSZACIVSA-N 2 2 302.466 3.198 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)OCCc2ccsc23)c(C)[nH+]1 ZINC001473307869 1183742405 /nfs/dbraw/zinc/74/24/05/1183742405.db2.gz KKNXMLVJEHWFED-UHFFFAOYSA-N 2 2 317.458 3.152 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716298 1183793229 /nfs/dbraw/zinc/79/32/29/1183793229.db2.gz DAFBDICQMDBCBK-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716298 1183793234 /nfs/dbraw/zinc/79/32/34/1183793234.db2.gz DAFBDICQMDBCBK-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH2+]C3CCOCC3)CC1)CC2 ZINC001473794191 1183802841 /nfs/dbraw/zinc/80/28/41/1183802841.db2.gz ZTDFOEPJLVKBGA-IBGZPJMESA-N 2 2 318.436 3.046 20 0 DGADLP Cc1[nH]c([C@H]2CCCN2CC[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC001473789971 1183802957 /nfs/dbraw/zinc/80/29/57/1183802957.db2.gz AFKCGSWVWUIRNC-GOSISDBHSA-N 2 2 312.461 3.295 20 0 DGADLP Cc1[nH]c([C@H]2CCCN2CC[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC001473789971 1183802958 /nfs/dbraw/zinc/80/29/58/1183802958.db2.gz AFKCGSWVWUIRNC-GOSISDBHSA-N 2 2 312.461 3.295 20 0 DGADLP COC/C(C)=C/C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898183 1183822728 /nfs/dbraw/zinc/82/27/28/1183822728.db2.gz UTKZRJCQIYHINK-AHQMPEJBSA-N 2 2 305.466 3.410 20 0 DGADLP COC/C(C)=C/C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898183 1183822730 /nfs/dbraw/zinc/82/27/30/1183822730.db2.gz UTKZRJCQIYHINK-AHQMPEJBSA-N 2 2 305.466 3.410 20 0 DGADLP C[C@H](c1ncccn1)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897091 1183822794 /nfs/dbraw/zinc/82/27/94/1183822794.db2.gz IFGYHCUDWPMQGU-HUUCEWRRSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897091 1183822795 /nfs/dbraw/zinc/82/27/95/1183822795.db2.gz IFGYHCUDWPMQGU-HUUCEWRRSA-N 2 2 313.449 3.369 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC001473927813 1183830395 /nfs/dbraw/zinc/83/03/95/1183830395.db2.gz FRNTUHMRCSOXEK-UHFFFAOYSA-N 2 2 316.392 3.117 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC001473927813 1183830396 /nfs/dbraw/zinc/83/03/96/1183830396.db2.gz FRNTUHMRCSOXEK-UHFFFAOYSA-N 2 2 316.392 3.117 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC001473950659 1183836397 /nfs/dbraw/zinc/83/63/97/1183836397.db2.gz RCUMQTNJJBGZDL-OAHLLOKOSA-N 2 2 318.490 3.423 20 0 DGADLP CN(C)c1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001473955967 1183837728 /nfs/dbraw/zinc/83/77/28/1183837728.db2.gz XGZNUFWQENZUTE-UHFFFAOYSA-N 2 2 324.403 3.367 20 0 DGADLP CC1=CCC[C@@H](C)[C@H]1C[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001474505510 1183933051 /nfs/dbraw/zinc/93/30/51/1183933051.db2.gz VNXXHKQFNBALHC-MOPGFXCFSA-N 3 2 309.542 3.184 20 0 DGADLP Cc1cccc2cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(Cl)nc12 ZINC001656324789 1196029703 /nfs/dbraw/zinc/02/97/03/1196029703.db2.gz XNTXRSJCUUNWKN-GFCCVEGCSA-N 2 2 305.853 3.484 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001548900253 1188475674 /nfs/dbraw/zinc/47/56/74/1188475674.db2.gz HLQVOTWDPHXWRK-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001548900253 1188475676 /nfs/dbraw/zinc/47/56/76/1188475676.db2.gz HLQVOTWDPHXWRK-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC001549087692 1188493798 /nfs/dbraw/zinc/49/37/98/1188493798.db2.gz XQOGBVVQUFHCBS-MLGOLLRUSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1csc(-c3cccs3)n1)C2 ZINC001549087692 1188493800 /nfs/dbraw/zinc/49/38/00/1188493800.db2.gz XQOGBVVQUFHCBS-MLGOLLRUSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1csc(C3CCCC3)n1)C2 ZINC001549114962 1188495877 /nfs/dbraw/zinc/49/58/77/1188495877.db2.gz DEGGHLBPXZJSOJ-WMLDXEAASA-N 2 2 305.491 3.362 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1csc(C3CCCC3)n1)C2 ZINC001549114962 1188495879 /nfs/dbraw/zinc/49/58/79/1188495879.db2.gz DEGGHLBPXZJSOJ-WMLDXEAASA-N 2 2 305.491 3.362 20 0 DGADLP C[NH+](C)Cc1nc(C[NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)cs1 ZINC001550128199 1188583382 /nfs/dbraw/zinc/58/33/82/1188583382.db2.gz IDQUZSXJHANULW-IAGOWNOFSA-N 2 2 315.486 3.487 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001550531110 1188620104 /nfs/dbraw/zinc/62/01/04/1188620104.db2.gz HNVXNIKXZHWNIV-HOTGVXAUSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001550531110 1188620107 /nfs/dbraw/zinc/62/01/07/1188620107.db2.gz HNVXNIKXZHWNIV-HOTGVXAUSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001550624679 1188633102 /nfs/dbraw/zinc/63/31/02/1188633102.db2.gz YRHUPYZESOBPQN-KRWDZBQOSA-N 2 2 311.429 3.125 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001550624679 1188633104 /nfs/dbraw/zinc/63/31/04/1188633104.db2.gz YRHUPYZESOBPQN-KRWDZBQOSA-N 2 2 311.429 3.125 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001550622740 1188633259 /nfs/dbraw/zinc/63/32/59/1188633259.db2.gz LXXYLMRVDSBKSA-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001550622740 1188633263 /nfs/dbraw/zinc/63/32/63/1188633263.db2.gz LXXYLMRVDSBKSA-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551377993 1188731889 /nfs/dbraw/zinc/73/18/89/1188731889.db2.gz LHPJRTUUSKVMNL-FCEWJHQRSA-N 2 2 312.388 3.036 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC001551379377 1188732793 /nfs/dbraw/zinc/73/27/93/1188732793.db2.gz XKKQDSRMBRWUEJ-SIKIZQCASA-N 2 2 307.441 3.322 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC001551379366 1188732863 /nfs/dbraw/zinc/73/28/63/1188732863.db2.gz XKKQDSRMBRWUEJ-GALXQHASSA-N 2 2 307.441 3.322 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@H]2CCC[NH2+][C@H]21 ZINC001553024046 1188890091 /nfs/dbraw/zinc/89/00/91/1188890091.db2.gz AUNHJEWYHYYOPE-LBRJOISOSA-N 2 2 304.409 3.016 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCC[NH2+][C@H]21 ZINC001553023670 1188890575 /nfs/dbraw/zinc/89/05/75/1188890575.db2.gz OLHHDUWOOZESLM-GUDVDZBRSA-N 3 2 319.537 3.150 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1C ZINC001559485912 1189209529 /nfs/dbraw/zinc/20/95/29/1189209529.db2.gz XOFBAVAMJAWOIH-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CCC(C)(C)c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC001559803158 1189244276 /nfs/dbraw/zinc/24/42/76/1189244276.db2.gz WWJCXNCFTVWVRV-UHFFFAOYSA-N 2 2 312.461 3.420 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)C12CCCC2 ZINC001559819920 1189244973 /nfs/dbraw/zinc/24/49/73/1189244973.db2.gz DDYMFQPXUFZCQK-XMTFNYHQSA-N 2 2 308.510 3.292 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C12CCCC2 ZINC001559819920 1189244976 /nfs/dbraw/zinc/24/49/76/1189244976.db2.gz DDYMFQPXUFZCQK-XMTFNYHQSA-N 2 2 308.510 3.292 20 0 DGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC(C)(C)C ZINC001559863154 1189250966 /nfs/dbraw/zinc/25/09/66/1189250966.db2.gz PBVDUYSYRDHXCL-UHFFFAOYSA-N 2 2 304.478 3.387 20 0 DGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC(C)(C)C ZINC001559863154 1189250969 /nfs/dbraw/zinc/25/09/69/1189250969.db2.gz PBVDUYSYRDHXCL-UHFFFAOYSA-N 2 2 304.478 3.387 20 0 DGADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560068741 1189274706 /nfs/dbraw/zinc/27/47/06/1189274706.db2.gz HAAPHBYSZKROJG-QZTJIDSGSA-N 2 2 324.509 3.161 20 0 DGADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560068741 1189274710 /nfs/dbraw/zinc/27/47/10/1189274710.db2.gz HAAPHBYSZKROJG-QZTJIDSGSA-N 2 2 324.509 3.161 20 0 DGADLP C[C@H](O)C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001560187994 1189288554 /nfs/dbraw/zinc/28/85/54/1189288554.db2.gz HRWHQCGKDGHJBO-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](O)C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001560187994 1189288557 /nfs/dbraw/zinc/28/85/57/1189288557.db2.gz HRWHQCGKDGHJBO-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP Cc1csc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC001560262059 1189301218 /nfs/dbraw/zinc/30/12/18/1189301218.db2.gz NOWLIRYBJCKERR-UHFFFAOYSA-N 2 2 304.444 3.031 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCOCc3ccccc3)c2)c[nH+]1 ZINC001560362400 1189318349 /nfs/dbraw/zinc/31/83/49/1189318349.db2.gz HZCMLFIHMZOGRT-UHFFFAOYSA-N 2 2 313.426 3.240 20 0 DGADLP CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC001560637841 1189352694 /nfs/dbraw/zinc/35/26/94/1189352694.db2.gz RCWZBJLTBNQIKM-SFHVURJKSA-N 2 2 312.461 3.242 20 0 DGADLP CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC001560637841 1189352697 /nfs/dbraw/zinc/35/26/97/1189352697.db2.gz RCWZBJLTBNQIKM-SFHVURJKSA-N 2 2 312.461 3.242 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)[NH+](CC)CC)cc1 ZINC001560859397 1189395127 /nfs/dbraw/zinc/39/51/27/1189395127.db2.gz JZXGIBIRGQAYDW-WCIQWLHISA-N 2 2 316.489 3.256 20 0 DGADLP COc1ccc(SCC[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001560930871 1189406364 /nfs/dbraw/zinc/40/63/64/1189406364.db2.gz QNPVISIUTAYPNU-MRXNPFEDSA-N 2 2 322.518 3.497 20 0 DGADLP CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568658511 1190575111 /nfs/dbraw/zinc/57/51/11/1190575111.db2.gz IVQHBCBCJICCLO-KIUWMYQTSA-N 2 2 317.477 3.461 20 0 DGADLP CC[C@@H](C)C[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001570567065 1190889092 /nfs/dbraw/zinc/88/90/92/1190889092.db2.gz HQFNLRBEYYSSFW-AXOLYNHLSA-N 2 2 317.477 3.151 20 0 DGADLP C=C/C=C/CC[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC001574889162 1191455616 /nfs/dbraw/zinc/45/56/16/1191455616.db2.gz OINAEKDHWNUXFK-WLMAVBAVSA-N 2 2 300.446 3.253 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001575141236 1191468855 /nfs/dbraw/zinc/46/88/55/1191468855.db2.gz MFDNVLXYUSUBDH-HOTGVXAUSA-N 2 2 308.466 3.336 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001575141236 1191468857 /nfs/dbraw/zinc/46/88/57/1191468857.db2.gz MFDNVLXYUSUBDH-HOTGVXAUSA-N 2 2 308.466 3.336 20 0 DGADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC001575241141 1191470053 /nfs/dbraw/zinc/47/00/53/1191470053.db2.gz GNZBGSYETPBFNT-AWEZNQCLSA-N 2 2 324.490 3.311 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001575460197 1191484998 /nfs/dbraw/zinc/48/49/98/1191484998.db2.gz HBHOMWYYXRISIC-ZDUSSCGKSA-N 2 2 311.401 3.161 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1cccc(Br)c1Cl)C1CC1 ZINC001575976243 1191521024 /nfs/dbraw/zinc/52/10/24/1191521024.db2.gz VFZMGOTXOIARAC-CYBMUJFWSA-N 2 2 317.658 3.320 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001618931630 1193755044 /nfs/dbraw/zinc/75/50/44/1193755044.db2.gz LVUMBCVMHYUBEM-DLBZAZTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001618931630 1193755047 /nfs/dbraw/zinc/75/50/47/1193755047.db2.gz LVUMBCVMHYUBEM-DLBZAZTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001620693740 1193792500 /nfs/dbraw/zinc/79/25/00/1193792500.db2.gz VTUUHCUTEDEBBT-KRWDZBQOSA-N 2 2 311.429 3.448 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001620693740 1193792503 /nfs/dbraw/zinc/79/25/03/1193792503.db2.gz VTUUHCUTEDEBBT-KRWDZBQOSA-N 2 2 311.429 3.448 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001620725901 1193795325 /nfs/dbraw/zinc/79/53/25/1193795325.db2.gz IYKMODYALHKSDM-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001620725901 1193795326 /nfs/dbraw/zinc/79/53/26/1193795326.db2.gz IYKMODYALHKSDM-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C12CCC2 ZINC001621484705 1193848846 /nfs/dbraw/zinc/84/88/46/1193848846.db2.gz QUTSGTBFKHFZIV-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C12CCC2 ZINC001621484705 1193848848 /nfs/dbraw/zinc/84/88/48/1193848848.db2.gz QUTSGTBFKHFZIV-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP C[NH2+]C1(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001625368568 1194046757 /nfs/dbraw/zinc/04/67/57/1194046757.db2.gz OJXHAERIDRLLPM-UHFFFAOYSA-N 2 2 304.438 3.051 20 0 DGADLP CCc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc(CC)[nH+]1 ZINC001640213013 1194802211 /nfs/dbraw/zinc/80/22/11/1194802211.db2.gz HKHQGPVWCDKWOE-OAHLLOKOSA-N 2 2 302.466 3.135 20 0 DGADLP CCc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc(CC)[nH+]1 ZINC001640213013 1194802213 /nfs/dbraw/zinc/80/22/13/1194802213.db2.gz HKHQGPVWCDKWOE-OAHLLOKOSA-N 2 2 302.466 3.135 20 0 DGADLP CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464171 1194912329 /nfs/dbraw/zinc/91/23/29/1194912329.db2.gz GNGPTEXTLZYCMR-WMLDXEAASA-N 2 2 314.477 3.055 20 0 DGADLP CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464171 1194912330 /nfs/dbraw/zinc/91/23/30/1194912330.db2.gz GNGPTEXTLZYCMR-WMLDXEAASA-N 2 2 314.477 3.055 20 0 DGADLP Cc1nc(NCC[C@@H](C)[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC001642559643 1194919628 /nfs/dbraw/zinc/91/96/28/1194919628.db2.gz SLONOBGQOUSPLC-CQSZACIVSA-N 2 2 302.466 3.340 20 0 DGADLP C[C@@H]1[C@H](C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC001643487224 1195028829 /nfs/dbraw/zinc/02/88/29/1195028829.db2.gz SXFZGVZLOWEWQX-QRVBRYPASA-N 2 2 315.505 3.175 20 0 DGADLP C[C@@H]1[C@H](C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC001643487224 1195028833 /nfs/dbraw/zinc/02/88/33/1195028833.db2.gz SXFZGVZLOWEWQX-QRVBRYPASA-N 2 2 315.505 3.175 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H](C)[C@H]1C ZINC001643486656 1195028958 /nfs/dbraw/zinc/02/89/58/1195028958.db2.gz OKXOKQFPRQGCDW-LXZJYRNTSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H](C)[C@H]1C ZINC001643486656 1195028963 /nfs/dbraw/zinc/02/89/63/1195028963.db2.gz OKXOKQFPRQGCDW-LXZJYRNTSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H](C)[C@H]1C ZINC001643486656 1195028966 /nfs/dbraw/zinc/02/89/66/1195028966.db2.gz OKXOKQFPRQGCDW-LXZJYRNTSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](C)[C@H]1C ZINC001643486656 1195028971 /nfs/dbraw/zinc/02/89/71/1195028971.db2.gz OKXOKQFPRQGCDW-LXZJYRNTSA-N 2 2 316.489 3.254 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381445 1195104343 /nfs/dbraw/zinc/10/43/43/1195104343.db2.gz CPRPWOWIUVDKHZ-NXOAAHMSSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381445 1195104346 /nfs/dbraw/zinc/10/43/46/1195104346.db2.gz CPRPWOWIUVDKHZ-NXOAAHMSSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381445 1195104367 /nfs/dbraw/zinc/10/43/67/1195104367.db2.gz CPRPWOWIUVDKHZ-NXOAAHMSSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381445 1195104374 /nfs/dbraw/zinc/10/43/74/1195104374.db2.gz CPRPWOWIUVDKHZ-NXOAAHMSSA-N 2 2 306.400 3.204 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C2 ZINC001648775292 1195330278 /nfs/dbraw/zinc/33/02/78/1195330278.db2.gz HVOKPRYJCGEJRQ-SJLPKXTDSA-N 2 2 316.489 3.407 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001649372780 1195333365 /nfs/dbraw/zinc/33/33/65/1195333365.db2.gz XKEXFSTWPRQALW-INIZCTEOSA-N 2 2 320.481 3.202 20 0 DGADLP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001649372780 1195333369 /nfs/dbraw/zinc/33/33/69/1195333369.db2.gz XKEXFSTWPRQALW-INIZCTEOSA-N 2 2 320.481 3.202 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001650975498 1195400055 /nfs/dbraw/zinc/40/00/55/1195400055.db2.gz BQCZEZGDCJKQTO-LBPRGKRZSA-N 2 2 314.414 3.013 20 0 DGADLP Cc1cc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nc(C2CC2)[nH+]1 ZINC001651176745 1195423011 /nfs/dbraw/zinc/42/30/11/1195423011.db2.gz CWTCAZQXWBPTBC-MSOLQXFVSA-N 2 2 322.456 3.420 20 0 DGADLP Cc1cc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nc(C2CC2)[nH+]1 ZINC001651176745 1195423017 /nfs/dbraw/zinc/42/30/17/1195423017.db2.gz CWTCAZQXWBPTBC-MSOLQXFVSA-N 2 2 322.456 3.420 20 0 DGADLP CCO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC001651545119 1195478358 /nfs/dbraw/zinc/47/83/58/1195478358.db2.gz CDMCBCXYSTWQND-CQSZACIVSA-N 2 2 305.249 3.050 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC001652210885 1195563337 /nfs/dbraw/zinc/56/33/37/1195563337.db2.gz ZKWHXXYOSHTBOL-MRXNPFEDSA-N 2 2 319.880 3.448 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC001652210885 1195563340 /nfs/dbraw/zinc/56/33/40/1195563340.db2.gz ZKWHXXYOSHTBOL-MRXNPFEDSA-N 2 2 319.880 3.448 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000067222757 1195608485 /nfs/dbraw/zinc/60/84/85/1195608485.db2.gz KFCKTWBAFADGEY-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000067222757 1195608489 /nfs/dbraw/zinc/60/84/89/1195608489.db2.gz KFCKTWBAFADGEY-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ncccc1F ZINC001652945818 1195674180 /nfs/dbraw/zinc/67/41/80/1195674180.db2.gz AINKXPHWARFQDK-RDJZCZTQSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ncccc1F ZINC001652945818 1195674182 /nfs/dbraw/zinc/67/41/82/1195674182.db2.gz AINKXPHWARFQDK-RDJZCZTQSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179135 1195850617 /nfs/dbraw/zinc/85/06/17/1195850617.db2.gz SCDUVFKPPPGCOT-RYUDHWBXSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179135 1195850621 /nfs/dbraw/zinc/85/06/21/1195850621.db2.gz SCDUVFKPPPGCOT-RYUDHWBXSA-N 2 2 302.340 3.144 20 0 DGADLP CCc1cc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001655066301 1195871177 /nfs/dbraw/zinc/87/11/77/1195871177.db2.gz QDVUERJKUOOBRR-HNNXBMFYSA-N 2 2 324.472 3.460 20 0 DGADLP CCc1cc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001655066301 1195871183 /nfs/dbraw/zinc/87/11/83/1195871183.db2.gz QDVUERJKUOOBRR-HNNXBMFYSA-N 2 2 324.472 3.460 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]CC3(C)CCC3)CC2)c1 ZINC001655223923 1195893579 /nfs/dbraw/zinc/89/35/79/1195893579.db2.gz VCLZCVFECGHEEO-UHFFFAOYSA-N 2 2 315.505 3.287 20 0 DGADLP CC(C)COc1cccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001655234826 1195894025 /nfs/dbraw/zinc/89/40/25/1195894025.db2.gz UFJJBSIZVAKXRU-WOJBJXKFSA-N 2 2 316.489 3.495 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC001655239950 1195894037 /nfs/dbraw/zinc/89/40/37/1195894037.db2.gz YTAZFQDXCDJVTI-QZTJIDSGSA-N 2 2 308.510 3.390 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC001655264782 1195897081 /nfs/dbraw/zinc/89/70/81/1195897081.db2.gz WCNVTUGRTNQVIW-UHFFFAOYSA-N 2 2 301.434 3.063 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001655264782 1195897084 /nfs/dbraw/zinc/89/70/84/1195897084.db2.gz WCNVTUGRTNQVIW-UHFFFAOYSA-N 2 2 301.434 3.063 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001655948348 1195981915 /nfs/dbraw/zinc/98/19/15/1195981915.db2.gz AGSWMSAIEXNZNE-KRWDZBQOSA-N 2 2 324.896 3.403 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001655948348 1195981918 /nfs/dbraw/zinc/98/19/18/1195981918.db2.gz AGSWMSAIEXNZNE-KRWDZBQOSA-N 2 2 324.896 3.403 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001656062170 1195993105 /nfs/dbraw/zinc/99/31/05/1195993105.db2.gz OGTWCPIGDINQET-HUUCEWRRSA-N 2 2 321.534 3.480 20 0 DGADLP CCC(C)(C)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001656296486 1196027740 /nfs/dbraw/zinc/02/77/40/1196027740.db2.gz MCJMAXZNRRKCEW-DAWZGUTISA-N 2 2 310.526 3.418 20 0 DGADLP CCC(C)(C)C1CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001656296486 1196027744 /nfs/dbraw/zinc/02/77/44/1196027744.db2.gz MCJMAXZNRRKCEW-DAWZGUTISA-N 2 2 310.526 3.418 20 0 DGADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001656554356 1196049839 /nfs/dbraw/zinc/04/98/39/1196049839.db2.gz MZEMMEWQZQKAEO-KRWDZBQOSA-N 2 2 322.493 3.046 20 0 DGADLP Fc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1F ZINC001656737117 1196066724 /nfs/dbraw/zinc/06/67/24/1196066724.db2.gz CZKQEJNJWRWDEZ-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3[nH]ccc3c2)cn1 ZINC001656846122 1196075122 /nfs/dbraw/zinc/07/51/22/1196075122.db2.gz LEZOMFXKKHZJGZ-UHFFFAOYSA-N 2 2 317.396 3.347 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001656896008 1196081215 /nfs/dbraw/zinc/08/12/15/1196081215.db2.gz ANFNBYOITNRFHT-AWEZNQCLSA-N 2 2 324.440 3.055 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226809 1196121164 /nfs/dbraw/zinc/12/11/64/1196121164.db2.gz GVVGJGDHHAPQME-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226809 1196121168 /nfs/dbraw/zinc/12/11/68/1196121168.db2.gz GVVGJGDHHAPQME-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226809 1196121173 /nfs/dbraw/zinc/12/11/73/1196121173.db2.gz GVVGJGDHHAPQME-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226809 1196121175 /nfs/dbraw/zinc/12/11/75/1196121175.db2.gz GVVGJGDHHAPQME-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(Cl)c1OC ZINC000073381099 1196155591 /nfs/dbraw/zinc/15/55/91/1196155591.db2.gz XUARPROXLVHFEI-UHFFFAOYSA-N 2 2 324.852 3.074 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccncc2)c(C)c1 ZINC001657627438 1196161841 /nfs/dbraw/zinc/16/18/41/1196161841.db2.gz QJYJIKKTDYKOMY-LJQANCHMSA-N 2 2 306.413 3.426 20 0 DGADLP Cc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1Br ZINC001658081413 1196210509 /nfs/dbraw/zinc/21/05/09/1196210509.db2.gz BJXSNWIOOOBELT-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1Br ZINC001658081413 1196210515 /nfs/dbraw/zinc/21/05/15/1196210515.db2.gz BJXSNWIOOOBELT-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001658440908 1196256400 /nfs/dbraw/zinc/25/64/00/1196256400.db2.gz NFFJXPXQIVOLLL-CEXWTWQISA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001658440908 1196256403 /nfs/dbraw/zinc/25/64/03/1196256403.db2.gz NFFJXPXQIVOLLL-CEXWTWQISA-N 2 2 308.510 3.390 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850176 1196309712 /nfs/dbraw/zinc/30/97/12/1196309712.db2.gz JXSWJGHTADHCQZ-IUODEOHRSA-N 2 2 320.506 3.317 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850176 1196309717 /nfs/dbraw/zinc/30/97/17/1196309717.db2.gz JXSWJGHTADHCQZ-IUODEOHRSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850176 1196309720 /nfs/dbraw/zinc/30/97/20/1196309720.db2.gz JXSWJGHTADHCQZ-IUODEOHRSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)C[C@H]1C ZINC001658850176 1196309725 /nfs/dbraw/zinc/30/97/25/1196309725.db2.gz JXSWJGHTADHCQZ-IUODEOHRSA-N 2 2 320.506 3.317 20 0 DGADLP Cc1ncoc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659115034 1196347037 /nfs/dbraw/zinc/34/70/37/1196347037.db2.gz VTVUHMZBKXFOKM-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1ncoc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659115034 1196347040 /nfs/dbraw/zinc/34/70/40/1196347040.db2.gz VTVUHMZBKXFOKM-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659267726 1196365204 /nfs/dbraw/zinc/36/52/04/1196365204.db2.gz ZMXMQZSTRUDUCK-ZHALLVOQSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659267726 1196365207 /nfs/dbraw/zinc/36/52/07/1196365207.db2.gz ZMXMQZSTRUDUCK-ZHALLVOQSA-N 2 2 304.478 3.180 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001659733777 1196409878 /nfs/dbraw/zinc/40/98/78/1196409878.db2.gz JFSPCTMZTBIJCR-YOEHRIQHSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001659733777 1196409881 /nfs/dbraw/zinc/40/98/81/1196409881.db2.gz JFSPCTMZTBIJCR-YOEHRIQHSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001659785629 1196414271 /nfs/dbraw/zinc/41/42/71/1196414271.db2.gz SICSDSZMGBNFNX-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001659785629 1196414275 /nfs/dbraw/zinc/41/42/75/1196414275.db2.gz SICSDSZMGBNFNX-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000075760970 1196418074 /nfs/dbraw/zinc/41/80/74/1196418074.db2.gz AWPNXNHGZDIRFZ-UHFFFAOYSA-N 2 2 312.461 3.082 20 0 DGADLP C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000075810018 1196424609 /nfs/dbraw/zinc/42/46/09/1196424609.db2.gz KHPACZDDNIQHRN-LPHOPBHVSA-N 2 2 302.462 3.187 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004381 1196436798 /nfs/dbraw/zinc/43/67/98/1196436798.db2.gz WZDXOMYSQYYTHK-ZIFCJYIRSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004381 1196436800 /nfs/dbraw/zinc/43/68/00/1196436800.db2.gz WZDXOMYSQYYTHK-ZIFCJYIRSA-N 2 2 308.510 3.436 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)c1 ZINC001660164677 1196453559 /nfs/dbraw/zinc/45/35/59/1196453559.db2.gz OHNDMDNLCLNGRL-AEFFLSMTSA-N 2 2 319.493 3.278 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660361016 1196475258 /nfs/dbraw/zinc/47/52/58/1196475258.db2.gz ILQFVCDYBWSIDU-KBXCAEBGSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660361016 1196475261 /nfs/dbraw/zinc/47/52/61/1196475261.db2.gz ILQFVCDYBWSIDU-KBXCAEBGSA-N 2 2 308.441 3.387 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001660375111 1196477426 /nfs/dbraw/zinc/47/74/26/1196477426.db2.gz JJHBXHCVYAHCBO-QGZVFWFLSA-N 2 2 322.493 3.428 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC001660375111 1196477429 /nfs/dbraw/zinc/47/74/29/1196477429.db2.gz JJHBXHCVYAHCBO-QGZVFWFLSA-N 2 2 322.493 3.428 20 0 DGADLP COCC[C@H](c1ccccc1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001660672060 1196511098 /nfs/dbraw/zinc/51/10/98/1196511098.db2.gz OQAOMUHSTLJFSS-GOSISDBHSA-N 2 2 313.445 3.377 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001660879991 1196537967 /nfs/dbraw/zinc/53/79/67/1196537967.db2.gz NFUWOCAAKWSKDX-RTBURBONSA-N 2 2 313.445 3.369 20 0 DGADLP c1cn(-c2csc(C[NH2+]CC3Cc4ccccc4C3)c2)c[nH+]1 ZINC001661450472 1196607139 /nfs/dbraw/zinc/60/71/39/1196607139.db2.gz AZGXBXWNYVYTDX-UHFFFAOYSA-N 2 2 309.438 3.438 20 0 DGADLP CS[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001661558463 1196619576 /nfs/dbraw/zinc/61/95/76/1196619576.db2.gz WNQBNRWZAUVOGM-ROUUACIJSA-N 2 2 318.530 3.349 20 0 DGADLP COc1cncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001662132649 1196685042 /nfs/dbraw/zinc/68/50/42/1196685042.db2.gz LHGQEODFIUCJKM-HNNXBMFYSA-N 2 2 322.412 3.435 20 0 DGADLP COc1ccc(C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000079000618 1196847465 /nfs/dbraw/zinc/84/74/65/1196847465.db2.gz NZSMAWIPWFYPOV-QGZVFWFLSA-N 2 2 301.434 3.405 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)c(OC)cc1OC ZINC001663500799 1196886990 /nfs/dbraw/zinc/88/69/90/1196886990.db2.gz SZUFHXPLDLGKJF-CYBMUJFWSA-N 2 2 312.429 3.053 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(O)c(F)c3)C2)CC1 ZINC001663717171 1196933752 /nfs/dbraw/zinc/93/37/52/1196933752.db2.gz HUGKSUJXJOIKCL-KRWDZBQOSA-N 2 2 320.452 3.475 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(O)c(F)c3)C2)CC1 ZINC001663717171 1196933753 /nfs/dbraw/zinc/93/37/53/1196933753.db2.gz HUGKSUJXJOIKCL-KRWDZBQOSA-N 2 2 320.452 3.475 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001665682774 1197170697 /nfs/dbraw/zinc/17/06/97/1197170697.db2.gz KZUFNOFXSAZTAT-UHFFFAOYSA-N 2 2 314.473 3.462 20 0 DGADLP C[C@@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001665711953 1197179431 /nfs/dbraw/zinc/17/94/31/1197179431.db2.gz HPZXTCQZBZJAHD-SGZDXZSOSA-N 2 2 321.553 3.349 20 0 DGADLP C[C@@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001665711953 1197179434 /nfs/dbraw/zinc/17/94/34/1197179434.db2.gz HPZXTCQZBZJAHD-SGZDXZSOSA-N 2 2 321.553 3.349 20 0 DGADLP CC/C=C/CC[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810489 1197200921 /nfs/dbraw/zinc/20/09/21/1197200921.db2.gz WYPPXYKOIRSXJF-NFAHFFEMSA-N 2 2 314.433 3.017 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC000378928437 1197702658 /nfs/dbraw/zinc/70/26/58/1197702658.db2.gz VVAJYGUKMJINIK-NHCUHLMSSA-N 2 2 322.452 3.306 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC000378928437 1197702660 /nfs/dbraw/zinc/70/26/60/1197702660.db2.gz VVAJYGUKMJINIK-NHCUHLMSSA-N 2 2 322.452 3.306 20 0 DGADLP CCc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000389878896 1197711106 /nfs/dbraw/zinc/71/11/06/1197711106.db2.gz XCYZHBDHMADDRY-RDTXWAMCSA-N 2 2 310.445 3.280 20 0 DGADLP CCc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000389878896 1197711114 /nfs/dbraw/zinc/71/11/14/1197711114.db2.gz XCYZHBDHMADDRY-RDTXWAMCSA-N 2 2 310.445 3.280 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1F)[C@H]1CCC[NH2+]CC1 ZINC000394786951 1197722337 /nfs/dbraw/zinc/72/23/37/1197722337.db2.gz KXWNRHZDLLRPAE-LBPRGKRZSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1F)[C@H]1CCC[NH2+]CC1 ZINC000394786951 1197722341 /nfs/dbraw/zinc/72/23/41/1197722341.db2.gz KXWNRHZDLLRPAE-LBPRGKRZSA-N 2 2 315.230 3.162 20 0 DGADLP c1ccc(N2CCC([NH2+]CCC3Cc4ccccc4C3)CC2)[nH+]c1 ZINC000090853939 1198293174 /nfs/dbraw/zinc/29/31/74/1198293174.db2.gz JLENNBOYLKIWIC-UHFFFAOYSA-N 2 2 321.468 3.445 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091059848 1198339750 /nfs/dbraw/zinc/33/97/50/1198339750.db2.gz USWTWDJTOFZKHE-QGZVFWFLSA-N 2 2 312.461 3.082 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091059848 1198339759 /nfs/dbraw/zinc/33/97/59/1198339759.db2.gz USWTWDJTOFZKHE-QGZVFWFLSA-N 2 2 312.461 3.082 20 0 DGADLP C[C@H](C[NH2+]Cc1ccn(-c2ccccc2)n1)C[NH+]1CCCCC1 ZINC000092172876 1198541299 /nfs/dbraw/zinc/54/12/99/1198541299.db2.gz AJXULUSZTNBJJE-QGZVFWFLSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000111925642 1199637717 /nfs/dbraw/zinc/63/77/17/1199637717.db2.gz MIRQZQCVAQRJLG-KRWDZBQOSA-N 2 2 310.441 3.307 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000111925642 1199637720 /nfs/dbraw/zinc/63/77/20/1199637720.db2.gz MIRQZQCVAQRJLG-KRWDZBQOSA-N 2 2 310.441 3.307 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309701271 1199709172 /nfs/dbraw/zinc/70/91/72/1199709172.db2.gz GDAKKTOQTRDDMS-SFHVURJKSA-N 2 2 313.445 3.293 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309701271 1199709175 /nfs/dbraw/zinc/70/91/75/1199709175.db2.gz GDAKKTOQTRDDMS-SFHVURJKSA-N 2 2 313.445 3.293 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC000319317340 1199837222 /nfs/dbraw/zinc/83/72/22/1199837222.db2.gz MJAXDLKCAPOLBY-DYVFJYSZSA-N 2 2 317.458 3.272 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC000319317340 1199837228 /nfs/dbraw/zinc/83/72/28/1199837228.db2.gz MJAXDLKCAPOLBY-DYVFJYSZSA-N 2 2 317.458 3.272 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000120753293 1200169051 /nfs/dbraw/zinc/16/90/51/1200169051.db2.gz CUIJUKBRLMOBOP-INIZCTEOSA-N 2 2 314.477 3.031 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000120753293 1200169056 /nfs/dbraw/zinc/16/90/56/1200169056.db2.gz CUIJUKBRLMOBOP-INIZCTEOSA-N 2 2 314.477 3.031 20 0 DGADLP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318806 1200204347 /nfs/dbraw/zinc/20/43/47/1200204347.db2.gz ONAUDUFFCXVSTN-SWLSCSKDSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318806 1200204358 /nfs/dbraw/zinc/20/43/58/1200204358.db2.gz ONAUDUFFCXVSTN-SWLSCSKDSA-N 2 2 305.466 3.103 20 0 DGADLP CC(C)(C)n1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000127779190 1200699945 /nfs/dbraw/zinc/69/99/45/1200699945.db2.gz VRAVZYJUPBDZPE-UHFFFAOYSA-N 2 2 309.417 3.114 20 0 DGADLP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704169 1202316978 /nfs/dbraw/zinc/31/69/78/1202316978.db2.gz WLNIAAONLVYVFA-FDMDGMSGSA-N 2 2 317.477 3.413 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001700904239 1202368462 /nfs/dbraw/zinc/36/84/62/1202368462.db2.gz YQAJSFYPRNUBIU-IAGOWNOFSA-N 2 2 317.477 3.151 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000152053292 1202593713 /nfs/dbraw/zinc/59/37/13/1202593713.db2.gz MNHNIMWRWIPFDD-UHFFFAOYSA-N 2 2 301.356 3.064 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000155570524 1202599062 /nfs/dbraw/zinc/59/90/62/1202599062.db2.gz IKWISNQOCZZJBF-MRXNPFEDSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000155570524 1202599063 /nfs/dbraw/zinc/59/90/63/1202599063.db2.gz IKWISNQOCZZJBF-MRXNPFEDSA-N 2 2 303.837 3.462 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157663029 1202602788 /nfs/dbraw/zinc/60/27/88/1202602788.db2.gz BVTHEJSGSACYHI-QAPCUYQASA-N 2 2 302.462 3.090 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157663029 1202602789 /nfs/dbraw/zinc/60/27/89/1202602789.db2.gz BVTHEJSGSACYHI-QAPCUYQASA-N 2 2 302.462 3.090 20 0 DGADLP CCCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000236929885 1202636083 /nfs/dbraw/zinc/63/60/83/1202636083.db2.gz BOUCEQAZWSOCME-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000236929885 1202636084 /nfs/dbraw/zinc/63/60/84/1202636084.db2.gz BOUCEQAZWSOCME-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCCCC[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001714196344 1202826985 /nfs/dbraw/zinc/82/69/85/1202826985.db2.gz FCPYUVLYIXPIFU-KLAILNCOSA-N 2 2 320.481 3.041 20 0 DGADLP CC[C@@H](F)C[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001715622392 1203374924 /nfs/dbraw/zinc/37/49/24/1203374924.db2.gz KPJAPTZDASLWKL-HZPDHXFCSA-N 2 2 323.456 3.099 20 0 DGADLP CCCCCC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725497671 1204159517 /nfs/dbraw/zinc/15/95/17/1204159517.db2.gz SOMWLGCJCMOONO-AWEZNQCLSA-N 2 2 316.449 3.193 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731605141 1204479777 /nfs/dbraw/zinc/47/97/77/1204479777.db2.gz AJJKCBPKSBPBDX-ZPIQOJFGSA-N 2 2 303.450 3.071 20 0 DGADLP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733006724 1204979604 /nfs/dbraw/zinc/97/96/04/1204979604.db2.gz MZJFIAVRFKNIHV-LZNQSLFOSA-N 2 2 303.450 3.071 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164619616 719056551 /nfs/dbraw/zinc/05/65/51/719056551.db2.gz CYLDKDFMVKZKMP-PKOBYXMFSA-N 2 2 323.440 3.191 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164619616 719056556 /nfs/dbraw/zinc/05/65/56/719056556.db2.gz CYLDKDFMVKZKMP-PKOBYXMFSA-N 2 2 323.440 3.191 20 0 DGADLP Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001165037853 721894818 /nfs/dbraw/zinc/89/48/18/721894818.db2.gz ZSQTVNHSLORPGQ-MRXNPFEDSA-N 2 2 302.466 3.363 20 0 DGADLP CCc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001165050444 721973162 /nfs/dbraw/zinc/97/31/62/721973162.db2.gz XTYRTPRMUWRZAD-QGZVFWFLSA-N 2 2 302.466 3.192 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC001169494307 1081576434 /nfs/dbraw/zinc/57/64/34/1081576434.db2.gz HLTFKGBDFDCTON-UWVAXJGDSA-N 2 2 316.489 3.433 20 0 DGADLP [NH2+]=C(Nc1cnc2ccc(C(F)(F)F)cc2c1)SCC[NH3+] ZINC001167912570 1081581137 /nfs/dbraw/zinc/58/11/37/1081581137.db2.gz QIECOFWILOHVDL-UHFFFAOYSA-N 2 2 314.336 3.292 20 0 DGADLP Fc1ccccc1COc1ccc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001169563129 1081592125 /nfs/dbraw/zinc/59/21/25/1081592125.db2.gz RRAAPMWMTDNAGK-OAHLLOKOSA-N 2 2 315.392 3.354 20 0 DGADLP c1ccc2c(c1)N(c1ccc3c([nH+]1)CCC3)CC21CC[NH2+]CC1 ZINC001167068981 1081633824 /nfs/dbraw/zinc/63/38/24/1081633824.db2.gz GXPWTDZSEBZPKX-UHFFFAOYSA-N 2 2 305.425 3.343 20 0 DGADLP CCCc1cc(NCC23CC[NH+](CC2)CC3)nc(CCC)[nH+]1 ZINC001169795106 1081656639 /nfs/dbraw/zinc/65/66/39/1081656639.db2.gz GTJLLNDBJFVXCR-UHFFFAOYSA-N 2 2 302.466 3.279 20 0 DGADLP CC(C)c1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]c1 ZINC001167207602 1081805530 /nfs/dbraw/zinc/80/55/30/1081805530.db2.gz CSHFWEDPEIFHNU-QUCCMNQESA-N 2 2 307.441 3.182 20 0 DGADLP Cc1cc(N)[nH+]cc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001209968591 1081849700 /nfs/dbraw/zinc/84/97/00/1081849700.db2.gz WHLXGXIPCMRLAQ-UHFFFAOYSA-N 2 2 318.178 3.126 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144793 1082201440 /nfs/dbraw/zinc/20/14/40/1082201440.db2.gz OOYRLVIWZNEHHD-SJLPKXTDSA-N 2 2 316.493 3.039 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144793 1082201442 /nfs/dbraw/zinc/20/14/42/1082201442.db2.gz OOYRLVIWZNEHHD-SJLPKXTDSA-N 2 2 316.493 3.039 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C[NH2+]1 ZINC000399072734 1082262683 /nfs/dbraw/zinc/26/26/83/1082262683.db2.gz OJRMIOPAGLZBKO-APWZRJJASA-N 2 2 310.441 3.496 20 0 DGADLP COc1ccc([C@H]2CSCC[N@@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207285441 1082521336 /nfs/dbraw/zinc/52/13/36/1082521336.db2.gz KLBIIGFXLPALRM-QGZVFWFLSA-N 2 2 322.518 3.373 20 0 DGADLP COc1ccc([C@H]2CSCC[N@H+]2CC(C)(C)C[NH+](C)C)cc1 ZINC001207285441 1082521340 /nfs/dbraw/zinc/52/13/40/1082521340.db2.gz KLBIIGFXLPALRM-QGZVFWFLSA-N 2 2 322.518 3.373 20 0 DGADLP c1cn(C2CC[NH+](C[C@H]3CCCC34CCOCC4)CC2)c[nH+]1 ZINC001167573018 1082536200 /nfs/dbraw/zinc/53/62/00/1082536200.db2.gz SFABKTKMZDTWSR-MRXNPFEDSA-N 2 2 303.450 3.117 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCC2=CCCCC2)c(C)[nH+]1 ZINC001131560651 1082687502 /nfs/dbraw/zinc/68/75/02/1082687502.db2.gz XNBPWJHGJYGCPP-UHFFFAOYSA-N 2 2 315.461 3.217 20 0 DGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CCCC(C)(C)C ZINC001134227713 1083258309 /nfs/dbraw/zinc/25/83/09/1083258309.db2.gz JJZVELXDNGPGQS-CABCVRRESA-N 2 2 322.497 3.042 20 0 DGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCCC(C)(C)C ZINC001134545443 1083302842 /nfs/dbraw/zinc/30/28/42/1083302842.db2.gz OVAYNZUTJULMQD-CABCVRRESA-N 2 2 322.497 3.042 20 0 DGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCCC(C)(C)C ZINC001134545443 1083302843 /nfs/dbraw/zinc/30/28/43/1083302843.db2.gz OVAYNZUTJULMQD-CABCVRRESA-N 2 2 322.497 3.042 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000689869287 1083318945 /nfs/dbraw/zinc/31/89/45/1083318945.db2.gz LRVXCTKCQKSAAG-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000689869287 1083318947 /nfs/dbraw/zinc/31/89/47/1083318947.db2.gz LRVXCTKCQKSAAG-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181912911 1083582057 /nfs/dbraw/zinc/58/20/57/1083582057.db2.gz JEPGQEWOLKKRGR-INIZCTEOSA-N 2 2 313.445 3.250 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181912911 1083582063 /nfs/dbraw/zinc/58/20/63/1083582063.db2.gz JEPGQEWOLKKRGR-INIZCTEOSA-N 2 2 313.445 3.250 20 0 DGADLP Cc1cc[nH+]c(C)c1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204333411 1083661879 /nfs/dbraw/zinc/66/18/79/1083661879.db2.gz MRKMRHBPZHPMPQ-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Br)s2)CC1 ZINC001205266443 1083932224 /nfs/dbraw/zinc/93/22/24/1083932224.db2.gz UUPIPQJBLBQYIB-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Br)s2)CC1 ZINC001205266443 1083932214 /nfs/dbraw/zinc/93/22/14/1083932214.db2.gz UUPIPQJBLBQYIB-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP [NH2+]=C(Nc1cc(Cl)nc2c(F)cc(F)cc12)SCC[NH3+] ZINC001167914564 1084054048 /nfs/dbraw/zinc/05/40/48/1084054048.db2.gz VVKWJNMCMQCNSA-UHFFFAOYSA-N 2 2 316.764 3.205 20 0 DGADLP CCc1cc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184998575 1084318522 /nfs/dbraw/zinc/31/85/22/1084318522.db2.gz FARXAABFUOJSPI-SOUVJXGZSA-N 2 2 304.482 3.380 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167894068 1084431720 /nfs/dbraw/zinc/43/17/20/1084431720.db2.gz MXWUNGRDATYECP-ALXJQNPVSA-N 2 2 300.446 3.048 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2cnn(CCC[NH+](C)C)c2)cc1 ZINC001187416591 1084797924 /nfs/dbraw/zinc/79/79/24/1084797924.db2.gz NVOHDBSBFPNQFP-UHFFFAOYSA-N 2 2 301.438 3.035 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2cnn(CCC[NH+](C)C)c2)cc1 ZINC001187416591 1084797931 /nfs/dbraw/zinc/79/79/31/1084797931.db2.gz NVOHDBSBFPNQFP-UHFFFAOYSA-N 2 2 301.438 3.035 20 0 DGADLP CCCCc1nc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc(C)[nH+]1 ZINC001167982322 1085935371 /nfs/dbraw/zinc/93/53/71/1085935371.db2.gz DCUKRTJAIPSQHQ-UHFFFAOYSA-N 2 2 324.428 3.278 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168016329 1086304112 /nfs/dbraw/zinc/30/41/12/1086304112.db2.gz VDCOKRLBTHOADB-CWPLJXCYSA-N 2 2 324.472 3.316 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168016329 1086304115 /nfs/dbraw/zinc/30/41/15/1086304115.db2.gz VDCOKRLBTHOADB-CWPLJXCYSA-N 2 2 324.472 3.316 20 0 DGADLP C[C@@H]1CC([NH2+]C[C@@H](F)C(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032923 1086467389 /nfs/dbraw/zinc/46/73/89/1086467389.db2.gz JHNBEXBBSDMGLO-IIDMSEBBSA-N 2 2 322.468 3.127 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001205009546 1086530453 /nfs/dbraw/zinc/53/04/53/1086530453.db2.gz WPUBEAWXROYIAB-GFCCVEGCSA-N 2 2 304.331 3.276 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001205009546 1086530458 /nfs/dbraw/zinc/53/04/58/1086530458.db2.gz WPUBEAWXROYIAB-GFCCVEGCSA-N 2 2 304.331 3.276 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063694 1086648147 /nfs/dbraw/zinc/64/81/47/1086648147.db2.gz FDUWGNLQQVMWOE-JSJNYSNDSA-N 2 2 314.473 3.481 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063694 1086648148 /nfs/dbraw/zinc/64/81/48/1086648148.db2.gz FDUWGNLQQVMWOE-JSJNYSNDSA-N 2 2 314.473 3.481 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063694 1086648151 /nfs/dbraw/zinc/64/81/51/1086648151.db2.gz FDUWGNLQQVMWOE-JSJNYSNDSA-N 2 2 314.473 3.481 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063694 1086648153 /nfs/dbraw/zinc/64/81/53/1086648153.db2.gz FDUWGNLQQVMWOE-JSJNYSNDSA-N 2 2 314.473 3.481 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCCCC[C@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001088351201 1086846891 /nfs/dbraw/zinc/84/68/91/1086846891.db2.gz UYJAHAKPLXSXQO-KRWDZBQOSA-N 2 2 317.477 3.390 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168093120 1086851820 /nfs/dbraw/zinc/85/18/20/1086851820.db2.gz LZALHVSGJAZFRO-HNAYVOBHSA-N 2 2 320.452 3.256 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001168101238 1086883453 /nfs/dbraw/zinc/88/34/53/1086883453.db2.gz HYHJQTQYWRMLOM-HDFHTSGDSA-N 2 2 320.521 3.290 20 0 DGADLP COc1ccc2c(c1)C[C@@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)C2 ZINC001168258652 1087075949 /nfs/dbraw/zinc/07/59/49/1087075949.db2.gz CCSQIFOUKUAZHJ-SFHVURJKSA-N 2 2 319.408 3.357 20 0 DGADLP C[NH+](C)C1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168306413 1087288795 /nfs/dbraw/zinc/28/87/95/1087288795.db2.gz ZHVNRNBPQBJOEA-HFFNAHSWSA-N 3 2 316.493 3.031 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001483482357 1087512338 /nfs/dbraw/zinc/51/23/38/1087512338.db2.gz JXPXBCMYPIRQJZ-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168379675 1087542265 /nfs/dbraw/zinc/54/22/65/1087542265.db2.gz NVKZPLMAGCZPIL-IBGZPJMESA-N 3 2 319.537 3.201 20 0 DGADLP C(C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168379675 1087542270 /nfs/dbraw/zinc/54/22/70/1087542270.db2.gz NVKZPLMAGCZPIL-IBGZPJMESA-N 3 2 319.537 3.201 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)cc[nH+]1 ZINC001232283300 1087588936 /nfs/dbraw/zinc/58/89/36/1087588936.db2.gz WJYCGFLJWFKUOP-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(F)c(F)c3Cl)C2)CC1 ZINC001232877687 1087632475 /nfs/dbraw/zinc/63/24/75/1087632475.db2.gz MZPQNQTXVRJERQ-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1C(F)(F)F ZINC001205109688 1087934912 /nfs/dbraw/zinc/93/49/12/1087934912.db2.gz JIHYZPBGCKKSSB-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1C(F)(F)F ZINC001205109688 1087934929 /nfs/dbraw/zinc/93/49/29/1087934929.db2.gz JIHYZPBGCKKSSB-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001168469630 1087936929 /nfs/dbraw/zinc/93/69/29/1087936929.db2.gz UKGUKQUKVLBZDS-OAHLLOKOSA-N 2 2 313.420 3.102 20 0 DGADLP Cc1cc2[nH]ccc2c(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)[nH+]1 ZINC001158623102 1087946015 /nfs/dbraw/zinc/94/60/15/1087946015.db2.gz PECHMOXGXPLLGP-OAHLLOKOSA-N 2 2 320.387 3.181 20 0 DGADLP COC(=O)c1ccc2cc[nH+]c(NC(C)(C)CC[NH+](C)C)c2c1 ZINC001158756912 1088011711 /nfs/dbraw/zinc/01/17/11/1088011711.db2.gz GOXOCGOCKYAUDM-UHFFFAOYSA-N 2 2 315.417 3.164 20 0 DGADLP [NH3+]CCOc1cccc(Nc2[nH+]cccc2N2CCCCC2)c1 ZINC001159364001 1088318744 /nfs/dbraw/zinc/31/87/44/1088318744.db2.gz IAZVEORZJFIBGS-UHFFFAOYSA-N 2 2 312.417 3.153 20 0 DGADLP c1cn(-c2ccc(Nc3ccc(N4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC001159429906 1088347681 /nfs/dbraw/zinc/34/76/81/1088347681.db2.gz HOTOBUCUZJHKDB-UHFFFAOYSA-N 2 2 319.412 3.026 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)cc1F)C1CC[NH2+]CC1 ZINC001235759906 1088396267 /nfs/dbraw/zinc/39/62/67/1088396267.db2.gz FGTDFQWVUXHWKC-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1F)C1CC[NH2+]CC1 ZINC001235759906 1088396284 /nfs/dbraw/zinc/39/62/84/1088396284.db2.gz FGTDFQWVUXHWKC-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2cc(Br)cnc2c1 ZINC001235946882 1088486544 /nfs/dbraw/zinc/48/65/44/1088486544.db2.gz ASIGJUQAAZRPNX-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2cc(Br)cnc2c1 ZINC001235946882 1088486556 /nfs/dbraw/zinc/48/65/56/1088486556.db2.gz ASIGJUQAAZRPNX-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2occ(Br)c2c1 ZINC001235948352 1088488182 /nfs/dbraw/zinc/48/81/82/1088488182.db2.gz PXJVDPBJBUGISU-UHFFFAOYSA-N 2 2 311.223 3.364 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2occ(Br)c2c1 ZINC001235948352 1088488192 /nfs/dbraw/zinc/48/81/92/1088488192.db2.gz PXJVDPBJBUGISU-UHFFFAOYSA-N 2 2 311.223 3.364 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)c1 ZINC001160071058 1088631031 /nfs/dbraw/zinc/63/10/31/1088631031.db2.gz RAOPQXXLHDEJLF-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC001155023877 1088900218 /nfs/dbraw/zinc/90/02/18/1088900218.db2.gz FYSFRCMFZRKSFJ-CHWSQXEVSA-N 2 2 309.417 3.159 20 0 DGADLP COc1ccc2c(cc[nH+]c2NCC[NH+]2CCC(F)(F)CC2)c1 ZINC001160748170 1088943925 /nfs/dbraw/zinc/94/39/25/1088943925.db2.gz PYIFQBVJLOFAJY-UHFFFAOYSA-N 2 2 321.371 3.386 20 0 DGADLP CC(C)(C)CCC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160992018 1089059287 /nfs/dbraw/zinc/05/92/87/1089059287.db2.gz PEISUKFXANKJHM-UHFFFAOYSA-N 2 2 316.449 3.099 20 0 DGADLP Cc1cc(Cl)c(C)c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001155382626 1089085501 /nfs/dbraw/zinc/08/55/01/1089085501.db2.gz IGJKYINMQNRGLY-CQSZACIVSA-N 2 2 323.868 3.313 20 0 DGADLP CCSc1cc[nH+]c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001155461687 1089123425 /nfs/dbraw/zinc/12/34/25/1089123425.db2.gz GONGYRYJMNBCJE-CQSZACIVSA-N 2 2 316.474 3.217 20 0 DGADLP Cc1ccc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)[nH+]c1C ZINC001161143389 1089132934 /nfs/dbraw/zinc/13/29/34/1089132934.db2.gz PLRXFMUFAQFPHW-UHFFFAOYSA-N 2 2 323.440 3.458 20 0 DGADLP c1ccc(-c2cc[nH+]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC001155592532 1089177484 /nfs/dbraw/zinc/17/74/84/1089177484.db2.gz QLLUUPPVFWPUNH-UZLBHIALSA-N 2 2 323.440 3.319 20 0 DGADLP CC(C)c1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001155948772 1089308984 /nfs/dbraw/zinc/30/89/84/1089308984.db2.gz XNMVKVMTVLKFFP-UHFFFAOYSA-N 2 2 310.445 3.227 20 0 DGADLP FC(F)(F)C1(c2cc(NCCCn3cc[nH+]c3)cc[nH+]2)CC1 ZINC001161687784 1089347421 /nfs/dbraw/zinc/34/74/21/1089347421.db2.gz CZXAAQLNRQWVHY-UHFFFAOYSA-N 2 2 310.323 3.374 20 0 DGADLP Cc1nc(N2CC[NH2+]C[C@H]2c2cccs2)cc(C(C)C)[nH+]1 ZINC001156089652 1089380657 /nfs/dbraw/zinc/38/06/57/1089380657.db2.gz QULGUHDCVLSZAY-AWEZNQCLSA-N 2 2 302.447 3.121 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2[nH]ccc2c[nH+]1 ZINC001156776173 1089689257 /nfs/dbraw/zinc/68/92/57/1089689257.db2.gz VEZUVJFJSYWMCJ-UHFFFAOYSA-N 2 2 303.369 3.385 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]cccc2OCc2ccccc2F)C1 ZINC001162396442 1089713350 /nfs/dbraw/zinc/71/33/50/1089713350.db2.gz ZXXVHJWRMZHRPD-CABCVRRESA-N 2 2 315.392 3.482 20 0 DGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc(-c2ccccc2)[nH+]1 ZINC001162454205 1089738092 /nfs/dbraw/zinc/73/80/92/1089738092.db2.gz NOJPHHCSVYAGAX-WMLDXEAASA-N 2 2 310.445 3.500 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCC[N@H+]3CCCC[C@@H]3C)c2c1C ZINC001156928851 1089749875 /nfs/dbraw/zinc/74/98/75/1089749875.db2.gz OZUDACZGYMOHBS-LBPRGKRZSA-N 2 2 301.438 3.251 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCC[N@@H+]3CCCC[C@@H]3C)c2c1C ZINC001156928851 1089749889 /nfs/dbraw/zinc/74/98/89/1089749889.db2.gz OZUDACZGYMOHBS-LBPRGKRZSA-N 2 2 301.438 3.251 20 0 DGADLP Cc1nc(N(C)[C@]2(C)CCC[NH2+]C2)cc(C2CCCCC2)[nH+]1 ZINC001156968172 1089765337 /nfs/dbraw/zinc/76/53/37/1089765337.db2.gz OTERYFBWYGTGRP-GOSISDBHSA-N 2 2 302.466 3.411 20 0 DGADLP COc1cccc2[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)ccc21 ZINC001162578963 1089802624 /nfs/dbraw/zinc/80/26/24/1089802624.db2.gz BCIJQGKGLCQKHZ-QGZVFWFLSA-N 2 2 303.381 3.137 20 0 DGADLP F[C@H]1C[NH2+]CC[C@H]1CNc1cc(-c2ccnc(Cl)c2)cc[nH+]1 ZINC001162802486 1089963917 /nfs/dbraw/zinc/96/39/17/1089963917.db2.gz SSUBQEDGPHTYBD-KBPBESRZSA-N 2 2 320.799 3.157 20 0 DGADLP CCc1cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)nc(CC)[nH+]1 ZINC001162867631 1089998087 /nfs/dbraw/zinc/99/80/87/1089998087.db2.gz LSRKUTJJHFVQNM-HNNXBMFYSA-N 2 2 304.482 3.381 20 0 DGADLP CCc1cc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)nc(CC)[nH+]1 ZINC001162867631 1089998103 /nfs/dbraw/zinc/99/81/03/1089998103.db2.gz LSRKUTJJHFVQNM-HNNXBMFYSA-N 2 2 304.482 3.381 20 0 DGADLP CC/C=C/CC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910570 1090021158 /nfs/dbraw/zinc/02/11/58/1090021158.db2.gz RGDJAWPXPBSAEP-VOTSOKGWSA-N 2 2 303.450 3.073 20 0 DGADLP CC(C)Oc1cc[nH+]c(N(C)CC[N@H+](C)Cc2ccccc2)c1 ZINC001157553849 1090022786 /nfs/dbraw/zinc/02/27/86/1090022786.db2.gz IWHIRKZFVVJSPA-UHFFFAOYSA-N 2 2 313.445 3.437 20 0 DGADLP CC(C)Oc1cc[nH+]c(N(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001157553849 1090022799 /nfs/dbraw/zinc/02/27/99/1090022799.db2.gz IWHIRKZFVVJSPA-UHFFFAOYSA-N 2 2 313.445 3.437 20 0 DGADLP Cc1ccc2c(c1)[C@H](Nc1cc[nH+]cc1F)CC21CC[NH2+]CC1 ZINC001163033958 1090057402 /nfs/dbraw/zinc/05/74/02/1090057402.db2.gz LWFIDOQTTVRKER-GOSISDBHSA-N 2 2 311.404 3.129 20 0 DGADLP Cc1cc(N2CCC(C)([NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC001157661247 1090060828 /nfs/dbraw/zinc/06/08/28/1090060828.db2.gz ZVRYYYZNUVXGGL-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP Fc1ccc2c[nH+]c(NCC[C@H]3C[NH2+]Cc4cccn4C3)cc2c1 ZINC001163056923 1090065551 /nfs/dbraw/zinc/06/55/51/1090065551.db2.gz WEPJZQMKNXNDEX-AWEZNQCLSA-N 2 2 324.403 3.397 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001157700347 1090082867 /nfs/dbraw/zinc/08/28/67/1090082867.db2.gz QALSYJZKAREJDM-OKILXGFUSA-N 2 2 307.869 3.244 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001157700347 1090082879 /nfs/dbraw/zinc/08/28/79/1090082879.db2.gz QALSYJZKAREJDM-OKILXGFUSA-N 2 2 307.869 3.244 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001157700347 1090082885 /nfs/dbraw/zinc/08/28/85/1090082885.db2.gz QALSYJZKAREJDM-OKILXGFUSA-N 2 2 307.869 3.244 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2C1 ZINC001157700347 1090082897 /nfs/dbraw/zinc/08/28/97/1090082897.db2.gz QALSYJZKAREJDM-OKILXGFUSA-N 2 2 307.869 3.244 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001485335662 1090108269 /nfs/dbraw/zinc/10/82/69/1090108269.db2.gz WRARPXYTXAAHSH-YAJUMTOWSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001485335662 1090108281 /nfs/dbraw/zinc/10/82/81/1090108281.db2.gz WRARPXYTXAAHSH-YAJUMTOWSA-N 2 2 317.477 3.103 20 0 DGADLP Fc1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)cc1-n1cc[nH+]c1 ZINC001163239219 1090130668 /nfs/dbraw/zinc/13/06/68/1090130668.db2.gz PLLKKJTXUDBZJX-CQSZACIVSA-N 2 2 314.389 3.329 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(CC)n3)CC2)cc1 ZINC001164008730 1090316546 /nfs/dbraw/zinc/31/65/46/1090316546.db2.gz PZHFICCIMUCQNX-UHFFFAOYSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1nc(N2C[C@H](C[NH3+])CC[C@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164467915 1090427507 /nfs/dbraw/zinc/42/75/07/1090427507.db2.gz OFLJMFHZSVTSBH-HIFRSBDPSA-N 2 2 302.466 3.396 20 0 DGADLP Cc1c[nH+]c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc1C ZINC001165083101 1090461666 /nfs/dbraw/zinc/46/16/66/1090461666.db2.gz VQOUZRXWNULXAN-MOPGFXCFSA-N 2 2 307.441 3.409 20 0 DGADLP Cc1c[nH+]c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1C ZINC001165083101 1090461670 /nfs/dbraw/zinc/46/16/70/1090461670.db2.gz VQOUZRXWNULXAN-MOPGFXCFSA-N 2 2 307.441 3.409 20 0 DGADLP c1ccc(C[NH+]2CC3(CN(c4cccc(C5CC5)[nH+]4)C3)C2)cc1 ZINC001165123578 1090467937 /nfs/dbraw/zinc/46/79/37/1090467937.db2.gz CYJJJCBZKLGMSA-UHFFFAOYSA-N 2 2 305.425 3.281 20 0 DGADLP Cc1[nH+]c2ccc(Br)cn2c1Nc1ccc[nH+]c1N ZINC001212398154 1090620977 /nfs/dbraw/zinc/62/09/77/1090620977.db2.gz JLYLNRCWSIKSLF-UHFFFAOYSA-N 2 2 318.178 3.126 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(C)n4)C[C@@H]3C2)cc1 ZINC001204066875 1090889585 /nfs/dbraw/zinc/88/95/85/1090889585.db2.gz UKTDZHMLANXAGR-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001204202623 1090920783 /nfs/dbraw/zinc/92/07/83/1090920783.db2.gz PTQGWVSDGCFDKX-UHFFFAOYSA-N 2 2 317.383 3.407 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204226430 1090928156 /nfs/dbraw/zinc/92/81/56/1090928156.db2.gz DPHUHGHUBGLVAC-AWEZNQCLSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001204226430 1090928161 /nfs/dbraw/zinc/92/81/61/1090928161.db2.gz DPHUHGHUBGLVAC-AWEZNQCLSA-N 2 2 304.340 3.322 20 0 DGADLP C[NH+](C)CCCCNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001161730692 1090986035 /nfs/dbraw/zinc/98/60/35/1090986035.db2.gz AFOQWRYELLNFPH-UHFFFAOYSA-N 2 2 311.227 3.079 20 0 DGADLP C[NH+](C)CCCCNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001161730692 1090986039 /nfs/dbraw/zinc/98/60/39/1090986039.db2.gz AFOQWRYELLNFPH-UHFFFAOYSA-N 2 2 311.227 3.079 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204801142 1091039580 /nfs/dbraw/zinc/03/95/80/1091039580.db2.gz KDVNVAVSURXUQW-FQEVSTJZSA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204801142 1091039583 /nfs/dbraw/zinc/03/95/83/1091039583.db2.gz KDVNVAVSURXUQW-FQEVSTJZSA-N 2 2 324.424 3.063 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124286 1091108268 /nfs/dbraw/zinc/10/82/68/1091108268.db2.gz NLQCODJMMSLOBK-JTQLQIEISA-N 2 2 303.269 3.132 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124286 1091108271 /nfs/dbraw/zinc/10/82/71/1091108271.db2.gz NLQCODJMMSLOBK-JTQLQIEISA-N 2 2 303.269 3.132 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205131214 1091109250 /nfs/dbraw/zinc/10/92/50/1091109250.db2.gz UKFZLKPTJSJDAI-CQSZACIVSA-N 2 2 305.809 3.308 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205131214 1091109254 /nfs/dbraw/zinc/10/92/54/1091109254.db2.gz UKFZLKPTJSJDAI-CQSZACIVSA-N 2 2 305.809 3.308 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205266938 1091157287 /nfs/dbraw/zinc/15/72/87/1091157287.db2.gz YKWWQQHSRYQXIY-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001205201853 1091129161 /nfs/dbraw/zinc/12/91/61/1091129161.db2.gz NOYSOYSVWOKJLT-MLGOLLRUSA-N 2 2 301.821 3.324 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001205201853 1091129166 /nfs/dbraw/zinc/12/91/66/1091129166.db2.gz NOYSOYSVWOKJLT-MLGOLLRUSA-N 2 2 301.821 3.324 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(OC(C)(C)C)n1 ZINC001138285168 1091131724 /nfs/dbraw/zinc/13/17/24/1091131724.db2.gz VQTDOQDTWUUQGZ-UHFFFAOYSA-N 2 2 307.482 3.423 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(C)(C)C)n1 ZINC001138285168 1091131737 /nfs/dbraw/zinc/13/17/37/1091131737.db2.gz VQTDOQDTWUUQGZ-UHFFFAOYSA-N 2 2 307.482 3.423 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(Br)cs2)CC1 ZINC001205266940 1091156924 /nfs/dbraw/zinc/15/69/24/1091156924.db2.gz YLXVIWXDLAFDSV-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC001205266940 1091156931 /nfs/dbraw/zinc/15/69/31/1091156931.db2.gz YLXVIWXDLAFDSV-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(F)ccc2Br)CC1 ZINC001205266938 1091157282 /nfs/dbraw/zinc/15/72/82/1091157282.db2.gz YKWWQQHSRYQXIY-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(OC)c1 ZINC001205280772 1091162605 /nfs/dbraw/zinc/16/26/05/1091162605.db2.gz INNAHASUIFBGDF-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OC)c1 ZINC001205280772 1091162608 /nfs/dbraw/zinc/16/26/08/1091162608.db2.gz INNAHASUIFBGDF-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@@H]1C[NH3+] ZINC001205317319 1091181660 /nfs/dbraw/zinc/18/16/60/1091181660.db2.gz NROVZCWWDSLNCG-KDOFPFPSSA-N 2 2 313.420 3.304 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@@H]1C[NH3+] ZINC001205317319 1091181667 /nfs/dbraw/zinc/18/16/67/1091181667.db2.gz NROVZCWWDSLNCG-KDOFPFPSSA-N 2 2 313.420 3.304 20 0 DGADLP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c2c(OC)cccc12 ZINC001205325323 1091185629 /nfs/dbraw/zinc/18/56/29/1091185629.db2.gz MGKOPVCCUXSWIB-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c2c(OC)cccc12 ZINC001205325323 1091185636 /nfs/dbraw/zinc/18/56/36/1091185636.db2.gz MGKOPVCCUXSWIB-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC001138449696 1091190161 /nfs/dbraw/zinc/19/01/61/1091190161.db2.gz KDUAIQLLJGPIKY-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC001138449696 1091190163 /nfs/dbraw/zinc/19/01/63/1091190163.db2.gz KDUAIQLLJGPIKY-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP CC(C)=CCCC1=CC[C@@H](C[N@@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001205376192 1091204192 /nfs/dbraw/zinc/20/41/92/1091204192.db2.gz CYHPIFLDGHOIEM-MOPGFXCFSA-N 2 2 306.494 3.380 20 0 DGADLP CC(C)=CCCC1=CC[C@@H](C[N@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001205376192 1091204201 /nfs/dbraw/zinc/20/42/01/1091204201.db2.gz CYHPIFLDGHOIEM-MOPGFXCFSA-N 2 2 306.494 3.380 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC001205429546 1091220058 /nfs/dbraw/zinc/22/00/58/1091220058.db2.gz FBYHDTNJBHVLRA-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC001205429546 1091220065 /nfs/dbraw/zinc/22/00/65/1091220065.db2.gz FBYHDTNJBHVLRA-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC001138548551 1091225458 /nfs/dbraw/zinc/22/54/58/1091225458.db2.gz HYLJASWPIWPGHM-UHFFFAOYSA-N 2 2 310.426 3.196 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC001138548551 1091225466 /nfs/dbraw/zinc/22/54/66/1091225466.db2.gz HYLJASWPIWPGHM-UHFFFAOYSA-N 2 2 310.426 3.196 20 0 DGADLP CCN(CC[NH+](CC)CC)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138565636 1091230886 /nfs/dbraw/zinc/23/08/86/1091230886.db2.gz PDGIWDPBKNIQBE-UHFFFAOYSA-N 2 2 314.477 3.095 20 0 DGADLP C[N@H+](Cc1ccccc1N1CCCCC1)C1CC[NH+](C)CC1 ZINC001138603728 1091247773 /nfs/dbraw/zinc/24/77/73/1091247773.db2.gz JGMPQHZIYJGYRV-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP C[N@@H+](Cc1ccccc1N1CCCCC1)C1CC[NH+](C)CC1 ZINC001138603728 1091247783 /nfs/dbraw/zinc/24/77/83/1091247783.db2.gz JGMPQHZIYJGYRV-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001205574196 1091261882 /nfs/dbraw/zinc/26/18/82/1091261882.db2.gz JLMMLUWNNCAUON-UHFFFAOYSA-N 2 2 318.424 3.164 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138689251 1091290012 /nfs/dbraw/zinc/29/00/12/1091290012.db2.gz POJQDKGRHSEHJL-BETUJISGSA-N 2 2 303.837 3.205 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138689251 1091290015 /nfs/dbraw/zinc/29/00/15/1091290015.db2.gz POJQDKGRHSEHJL-BETUJISGSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138689251 1091290019 /nfs/dbraw/zinc/29/00/19/1091290019.db2.gz POJQDKGRHSEHJL-BETUJISGSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138689251 1091290020 /nfs/dbraw/zinc/29/00/20/1091290020.db2.gz POJQDKGRHSEHJL-BETUJISGSA-N 2 2 303.837 3.205 20 0 DGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205780563 1091345765 /nfs/dbraw/zinc/34/57/65/1091345765.db2.gz QZRASJARARGVQS-AWEZNQCLSA-N 2 2 312.404 3.280 20 0 DGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205780563 1091345776 /nfs/dbraw/zinc/34/57/76/1091345776.db2.gz QZRASJARARGVQS-AWEZNQCLSA-N 2 2 312.404 3.280 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826946 1091367853 /nfs/dbraw/zinc/36/78/53/1091367853.db2.gz DSFUEWILZNGXJU-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826946 1091367865 /nfs/dbraw/zinc/36/78/65/1091367865.db2.gz DSFUEWILZNGXJU-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842136 1091375976 /nfs/dbraw/zinc/37/59/76/1091375976.db2.gz MQINBNZGZSNXGB-RDJZCZTQSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842136 1091375987 /nfs/dbraw/zinc/37/59/87/1091375987.db2.gz MQINBNZGZSNXGB-RDJZCZTQSA-N 2 2 311.429 3.433 20 0 DGADLP Cc1cnccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205868101 1091386067 /nfs/dbraw/zinc/38/60/67/1091386067.db2.gz UXLJOBGQGHDWOB-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001205868101 1091386077 /nfs/dbraw/zinc/38/60/77/1091386077.db2.gz UXLJOBGQGHDWOB-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205868101 1091386088 /nfs/dbraw/zinc/38/60/88/1091386088.db2.gz UXLJOBGQGHDWOB-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001205868101 1091386104 /nfs/dbraw/zinc/38/61/04/1091386104.db2.gz UXLJOBGQGHDWOB-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138951251 1091387180 /nfs/dbraw/zinc/38/71/80/1091387180.db2.gz SXZPQIIRRNJXAO-UHFFFAOYSA-N 2 2 306.841 3.084 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138951251 1091387191 /nfs/dbraw/zinc/38/71/91/1091387191.db2.gz SXZPQIIRRNJXAO-UHFFFAOYSA-N 2 2 306.841 3.084 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1F ZINC001205895296 1091396537 /nfs/dbraw/zinc/39/65/37/1091396537.db2.gz DMRIXJNCFUKBLC-ZIAGYGMSSA-N 2 2 305.224 3.297 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1F ZINC001205895296 1091396546 /nfs/dbraw/zinc/39/65/46/1091396546.db2.gz DMRIXJNCFUKBLC-ZIAGYGMSSA-N 2 2 305.224 3.297 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)c2c1 ZINC001205895969 1091397256 /nfs/dbraw/zinc/39/72/56/1091397256.db2.gz SUOHJUDSJIXAJG-ACJLOTCBSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)c2c1 ZINC001205895969 1091397268 /nfs/dbraw/zinc/39/72/68/1091397268.db2.gz SUOHJUDSJIXAJG-ACJLOTCBSA-N 2 2 314.429 3.026 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901087 1091398856 /nfs/dbraw/zinc/39/88/56/1091398856.db2.gz BFACVSZYKJPENT-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901087 1091398865 /nfs/dbraw/zinc/39/88/65/1091398865.db2.gz BFACVSZYKJPENT-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901088 1091400296 /nfs/dbraw/zinc/40/02/96/1091400296.db2.gz BFACVSZYKJPENT-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901088 1091400302 /nfs/dbraw/zinc/40/03/02/1091400302.db2.gz BFACVSZYKJPENT-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Br ZINC001205901033 1091400580 /nfs/dbraw/zinc/40/05/80/1091400580.db2.gz ASKDYBMROABIEZ-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Br ZINC001205901033 1091400583 /nfs/dbraw/zinc/40/05/83/1091400583.db2.gz ASKDYBMROABIEZ-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1sccc1Br ZINC001205903503 1091402377 /nfs/dbraw/zinc/40/23/77/1091402377.db2.gz PTAPGENTVCKTHC-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1sccc1Br ZINC001205903503 1091402380 /nfs/dbraw/zinc/40/23/80/1091402380.db2.gz PTAPGENTVCKTHC-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(OCC)c1 ZINC001138978062 1091406031 /nfs/dbraw/zinc/40/60/31/1091406031.db2.gz MSSWOFWPMTZDSB-UHFFFAOYSA-N 2 2 320.477 3.402 20 0 DGADLP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(OCC)c1 ZINC001138978062 1091406035 /nfs/dbraw/zinc/40/60/35/1091406035.db2.gz MSSWOFWPMTZDSB-UHFFFAOYSA-N 2 2 320.477 3.402 20 0 DGADLP CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)c(OCC)c1 ZINC001138984140 1091408522 /nfs/dbraw/zinc/40/85/22/1091408522.db2.gz LBBMKMRQTBLSAU-UHFFFAOYSA-N 2 2 308.466 3.258 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)c(OCC)c1 ZINC001138984140 1091408527 /nfs/dbraw/zinc/40/85/27/1091408527.db2.gz LBBMKMRQTBLSAU-UHFFFAOYSA-N 2 2 308.466 3.258 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1F ZINC001206167532 1091518308 /nfs/dbraw/zinc/51/83/08/1091518308.db2.gz ZSBSPYXHIIXTQR-ZIAGYGMSSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1F ZINC001206167532 1091518315 /nfs/dbraw/zinc/51/83/15/1091518315.db2.gz ZSBSPYXHIIXTQR-ZIAGYGMSSA-N 2 2 307.800 3.149 20 0 DGADLP Cc1cccc2cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c(Cl)nc12 ZINC001206188953 1091527191 /nfs/dbraw/zinc/52/71/91/1091527191.db2.gz WLTVOJOWGVQDIJ-CABCVRRESA-N 2 2 321.827 3.458 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c(Cl)nc12 ZINC001206188953 1091527196 /nfs/dbraw/zinc/52/71/96/1091527196.db2.gz WLTVOJOWGVQDIJ-CABCVRRESA-N 2 2 321.827 3.458 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197888 1091532082 /nfs/dbraw/zinc/53/20/82/1091532082.db2.gz JZRXVDVYWJBBQG-NXEZZACHSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197888 1091532088 /nfs/dbraw/zinc/53/20/88/1091532088.db2.gz JZRXVDVYWJBBQG-NXEZZACHSA-N 2 2 321.259 3.080 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001206328495 1091581225 /nfs/dbraw/zinc/58/12/25/1091581225.db2.gz KDKHOZQNEFPYEF-HKUYNNGSSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC001206328495 1091581232 /nfs/dbraw/zinc/58/12/32/1091581232.db2.gz KDKHOZQNEFPYEF-HKUYNNGSSA-N 2 2 316.489 3.324 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001206344189 1091586726 /nfs/dbraw/zinc/58/67/26/1091586726.db2.gz OKRKQEVSRPATMW-IBGZPJMESA-N 2 2 319.468 3.330 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001206344189 1091586732 /nfs/dbraw/zinc/58/67/32/1091586732.db2.gz OKRKQEVSRPATMW-IBGZPJMESA-N 2 2 319.468 3.330 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001206352050 1091590532 /nfs/dbraw/zinc/59/05/32/1091590532.db2.gz MVDQWHUNMIHSOU-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001206352050 1091590535 /nfs/dbraw/zinc/59/05/35/1091590535.db2.gz MVDQWHUNMIHSOU-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP CC1(C)CCc2cc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2O1 ZINC001206351642 1091591988 /nfs/dbraw/zinc/59/19/88/1091591988.db2.gz HAKNHKURVHNFJW-LJQANCHMSA-N 2 2 320.452 3.443 20 0 DGADLP CC1(C)CCc2cc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2O1 ZINC001206351642 1091591992 /nfs/dbraw/zinc/59/19/92/1091591992.db2.gz HAKNHKURVHNFJW-LJQANCHMSA-N 2 2 320.452 3.443 20 0 DGADLP Cc1nc2cc(C)ccn2c1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001139679881 1091641850 /nfs/dbraw/zinc/64/18/50/1091641850.db2.gz YHRBSKXNPPVZBB-UHFFFAOYSA-N 2 2 314.477 3.256 20 0 DGADLP Cc1nc2cc(C)ccn2c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001139679881 1091641852 /nfs/dbraw/zinc/64/18/52/1091641852.db2.gz YHRBSKXNPPVZBB-UHFFFAOYSA-N 2 2 314.477 3.256 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Br)cs2)C1 ZINC001206542214 1091661886 /nfs/dbraw/zinc/66/18/86/1091661886.db2.gz VEVIMUCXXCQBEA-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC001206542214 1091661892 /nfs/dbraw/zinc/66/18/92/1091661892.db2.gz VEVIMUCXXCQBEA-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2sccc2Br)C1 ZINC001206556868 1091668878 /nfs/dbraw/zinc/66/88/78/1091668878.db2.gz YQXCHNRDZLSOAM-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2sccc2Br)C1 ZINC001206556868 1091668882 /nfs/dbraw/zinc/66/88/82/1091668882.db2.gz YQXCHNRDZLSOAM-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001206563712 1091672349 /nfs/dbraw/zinc/67/23/49/1091672349.db2.gz HUAABRJHVGBQIW-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001206563712 1091672352 /nfs/dbraw/zinc/67/23/52/1091672352.db2.gz HUAABRJHVGBQIW-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP CCOc1nccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206582727 1091678155 /nfs/dbraw/zinc/67/81/55/1091678155.db2.gz PCPYQSFVSLPNSE-INIZCTEOSA-N 2 2 311.857 3.085 20 0 DGADLP CCOc1nccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001206582727 1091678157 /nfs/dbraw/zinc/67/81/57/1091678157.db2.gz PCPYQSFVSLPNSE-INIZCTEOSA-N 2 2 311.857 3.085 20 0 DGADLP CCOC(=O)c1ccsc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599511 1091684813 /nfs/dbraw/zinc/68/48/13/1091684813.db2.gz SVLQRHRYOMECQG-CQSZACIVSA-N 2 2 324.490 3.277 20 0 DGADLP CCOC(=O)c1ccsc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599511 1091684819 /nfs/dbraw/zinc/68/48/19/1091684819.db2.gz SVLQRHRYOMECQG-CQSZACIVSA-N 2 2 324.490 3.277 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001139839429 1091687490 /nfs/dbraw/zinc/68/74/90/1091687490.db2.gz DWIIQNIDQTWWRY-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001139839429 1091687496 /nfs/dbraw/zinc/68/74/96/1091687496.db2.gz DWIIQNIDQTWWRY-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001139839429 1091687503 /nfs/dbraw/zinc/68/75/03/1091687503.db2.gz DWIIQNIDQTWWRY-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001139839429 1091687507 /nfs/dbraw/zinc/68/75/07/1091687507.db2.gz DWIIQNIDQTWWRY-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001206744523 1091720045 /nfs/dbraw/zinc/72/00/45/1091720045.db2.gz IVTCKCGBLDSPRF-UHFFFAOYSA-N 2 2 301.821 3.183 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140021182 1091740266 /nfs/dbraw/zinc/74/02/66/1091740266.db2.gz JKTBPGDYFAOKFR-LJQANCHMSA-N 2 2 311.429 3.183 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140021182 1091740271 /nfs/dbraw/zinc/74/02/71/1091740271.db2.gz JKTBPGDYFAOKFR-LJQANCHMSA-N 2 2 311.429 3.183 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CCCO2)CC1 ZINC001140028562 1091743926 /nfs/dbraw/zinc/74/39/26/1091743926.db2.gz XDPKUQMUTOZKQP-UHFFFAOYSA-N 2 2 311.429 3.326 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810083 1091749377 /nfs/dbraw/zinc/74/93/77/1091749377.db2.gz MZMXBUWUEBJWFS-STQMWFEESA-N 2 2 312.404 3.311 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206810083 1091749382 /nfs/dbraw/zinc/74/93/82/1091749382.db2.gz MZMXBUWUEBJWFS-STQMWFEESA-N 2 2 312.404 3.311 20 0 DGADLP Cc1ccnc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854411 1091771109 /nfs/dbraw/zinc/77/11/09/1091771109.db2.gz YZVVTXIRLAEJAA-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854411 1091771118 /nfs/dbraw/zinc/77/11/18/1091771118.db2.gz YZVVTXIRLAEJAA-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854411 1091771125 /nfs/dbraw/zinc/77/11/25/1091771125.db2.gz YZVVTXIRLAEJAA-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854411 1091771133 /nfs/dbraw/zinc/77/11/33/1091771133.db2.gz YZVVTXIRLAEJAA-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc2n[nH]c(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c2c1 ZINC001140331856 1091828512 /nfs/dbraw/zinc/82/85/12/1091828512.db2.gz OHRMXEZVUPDRKN-UHFFFAOYSA-N 2 2 300.450 3.176 20 0 DGADLP Cc1ccc2n[nH]c(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c2c1 ZINC001140331856 1091828517 /nfs/dbraw/zinc/82/85/17/1091828517.db2.gz OHRMXEZVUPDRKN-UHFFFAOYSA-N 2 2 300.450 3.176 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cncc(C)c4)C[C@@H]3C2)cc1 ZINC001207155765 1091867907 /nfs/dbraw/zinc/86/79/07/1091867907.db2.gz BNNRJMAHIIFAOY-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cncc(C)c4)C[C@@H]3C2)cc1 ZINC001207155765 1091867912 /nfs/dbraw/zinc/86/79/12/1091867912.db2.gz BNNRJMAHIIFAOY-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cncc(C)c4)C[C@@H]3C2)cc1 ZINC001207155765 1091867916 /nfs/dbraw/zinc/86/79/16/1091867916.db2.gz BNNRJMAHIIFAOY-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cncc(C)c4)C[C@@H]3C2)cc1 ZINC001207155765 1091867925 /nfs/dbraw/zinc/86/79/25/1091867925.db2.gz BNNRJMAHIIFAOY-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001140446707 1091868191 /nfs/dbraw/zinc/86/81/91/1091868191.db2.gz MDTUIIISKGBBHH-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001140446707 1091868197 /nfs/dbraw/zinc/86/81/97/1091868197.db2.gz MDTUIIISKGBBHH-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP Cc1cncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162797 1091871161 /nfs/dbraw/zinc/87/11/61/1091871161.db2.gz YVMRDQYTWKCFPX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162797 1091871170 /nfs/dbraw/zinc/87/11/70/1091871170.db2.gz YVMRDQYTWKCFPX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162797 1091871179 /nfs/dbraw/zinc/87/11/79/1091871179.db2.gz YVMRDQYTWKCFPX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162797 1091871187 /nfs/dbraw/zinc/87/11/87/1091871187.db2.gz YVMRDQYTWKCFPX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162804 1091872293 /nfs/dbraw/zinc/87/22/93/1091872293.db2.gz YVMRDQYTWKCFPX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162804 1091872302 /nfs/dbraw/zinc/87/23/02/1091872302.db2.gz YVMRDQYTWKCFPX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162804 1091872312 /nfs/dbraw/zinc/87/23/12/1091872312.db2.gz YVMRDQYTWKCFPX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162804 1091872321 /nfs/dbraw/zinc/87/23/21/1091872321.db2.gz YVMRDQYTWKCFPX-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP CC(C)n1nccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001207178024 1091877680 /nfs/dbraw/zinc/87/76/80/1091877680.db2.gz SPZUMQVUSOJDTQ-UHFFFAOYSA-N 2 2 304.482 3.303 20 0 DGADLP CC(C)n1nccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001207178024 1091877684 /nfs/dbraw/zinc/87/76/84/1091877684.db2.gz SPZUMQVUSOJDTQ-UHFFFAOYSA-N 2 2 304.482 3.303 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(Cl)cc1F)CC2 ZINC001140702589 1091965068 /nfs/dbraw/zinc/96/50/68/1091965068.db2.gz SGZOXYOEAHBSQS-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP COc1ccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207478042 1091982943 /nfs/dbraw/zinc/98/29/43/1091982943.db2.gz AFZGFJHKJGAIMK-GOSISDBHSA-N 2 2 312.413 3.094 20 0 DGADLP COc1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207478042 1091982951 /nfs/dbraw/zinc/98/29/51/1091982951.db2.gz AFZGFJHKJGAIMK-GOSISDBHSA-N 2 2 312.413 3.094 20 0 DGADLP COc1cc2c(cc1OC)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140806327 1092011224 /nfs/dbraw/zinc/01/12/24/1092011224.db2.gz FOOUAUDKCIQPME-UHFFFAOYSA-N 2 2 323.396 3.138 20 0 DGADLP COc1cc2c(cc1OC)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140806327 1092011235 /nfs/dbraw/zinc/01/12/35/1092011235.db2.gz FOOUAUDKCIQPME-UHFFFAOYSA-N 2 2 323.396 3.138 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)c(OC)c1 ZINC001140805028 1092011645 /nfs/dbraw/zinc/01/16/45/1092011645.db2.gz OWMSOQOQGVREBE-UHFFFAOYSA-N 2 2 311.385 3.212 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)c(OC)c1 ZINC001140805028 1092011656 /nfs/dbraw/zinc/01/16/56/1092011656.db2.gz OWMSOQOQGVREBE-UHFFFAOYSA-N 2 2 311.385 3.212 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626044 1092048471 /nfs/dbraw/zinc/04/84/71/1092048471.db2.gz YAGULARZNFWNEG-QSUVIHHLSA-N 2 2 323.484 3.048 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626044 1092048476 /nfs/dbraw/zinc/04/84/76/1092048476.db2.gz YAGULARZNFWNEG-QSUVIHHLSA-N 2 2 323.484 3.048 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626044 1092048482 /nfs/dbraw/zinc/04/84/82/1092048482.db2.gz YAGULARZNFWNEG-QSUVIHHLSA-N 2 2 323.484 3.048 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626044 1092048491 /nfs/dbraw/zinc/04/84/91/1092048491.db2.gz YAGULARZNFWNEG-QSUVIHHLSA-N 2 2 323.484 3.048 20 0 DGADLP C[N@H+](Cc1ccnc(-c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC001141115941 1092140984 /nfs/dbraw/zinc/14/09/84/1092140984.db2.gz NFLFROGTFMBJPJ-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP C[N@@H+](Cc1ccnc(-c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC001141115941 1092140991 /nfs/dbraw/zinc/14/09/91/1092140991.db2.gz NFLFROGTFMBJPJ-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962300 1092160869 /nfs/dbraw/zinc/16/08/69/1092160869.db2.gz MBGIRZVUOCUUKG-SFHVURJKSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962300 1092160874 /nfs/dbraw/zinc/16/08/74/1092160874.db2.gz MBGIRZVUOCUUKG-SFHVURJKSA-N 2 2 320.452 3.291 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001141225339 1092183439 /nfs/dbraw/zinc/18/34/39/1092183439.db2.gz FNGSOFPLQGQAOX-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001141225339 1092183443 /nfs/dbraw/zinc/18/34/43/1092183443.db2.gz FNGSOFPLQGQAOX-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCCC4CCCC4)C[C@H]3C2)nc1 ZINC001208088489 1092193547 /nfs/dbraw/zinc/19/35/47/1092193547.db2.gz HARNYFIAPYSZSI-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCC4CCCC4)C[C@H]3C2)nc1 ZINC001208088489 1092193550 /nfs/dbraw/zinc/19/35/50/1092193550.db2.gz HARNYFIAPYSZSI-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)nc1 ZINC001208088489 1092193554 /nfs/dbraw/zinc/19/35/54/1092193554.db2.gz HARNYFIAPYSZSI-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)nc1 ZINC001208088489 1092193557 /nfs/dbraw/zinc/19/35/57/1092193557.db2.gz HARNYFIAPYSZSI-KDURUIRLSA-N 2 2 313.489 3.416 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001208111718 1092199863 /nfs/dbraw/zinc/19/98/63/1092199863.db2.gz MZVKHHLTADHCFF-KRWDZBQOSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001208111718 1092199870 /nfs/dbraw/zinc/19/98/70/1092199870.db2.gz MZVKHHLTADHCFF-KRWDZBQOSA-N 2 2 322.880 3.445 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)nc1C ZINC001141434625 1092242636 /nfs/dbraw/zinc/24/26/36/1092242636.db2.gz JVEOPQFZZXDEOH-UHFFFAOYSA-N 2 2 312.339 3.127 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)nc1C ZINC001141434625 1092242648 /nfs/dbraw/zinc/24/26/48/1092242648.db2.gz JVEOPQFZZXDEOH-UHFFFAOYSA-N 2 2 312.339 3.127 20 0 DGADLP C[NH+](C)CC1(C[NH+]2CCN(c3cccc(F)c3)CC2)CCCC1 ZINC001208187954 1092247598 /nfs/dbraw/zinc/24/75/98/1092247598.db2.gz QUBIKBQEWVZWOU-UHFFFAOYSA-N 2 2 319.468 3.070 20 0 DGADLP COc1ccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)c(OC)c1 ZINC001208185911 1092248614 /nfs/dbraw/zinc/24/86/14/1092248614.db2.gz KVTPZPOTRZQSDA-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP COc1ccc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)c(OC)c1 ZINC001208185911 1092248630 /nfs/dbraw/zinc/24/86/30/1092248630.db2.gz KVTPZPOTRZQSDA-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1OC1CCCC1 ZINC001141513427 1092263120 /nfs/dbraw/zinc/26/31/20/1092263120.db2.gz AVIFDTWYCQCMBB-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1OC1CCCC1 ZINC001141513427 1092263129 /nfs/dbraw/zinc/26/31/29/1092263129.db2.gz AVIFDTWYCQCMBB-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2cccc(F)c2)C1 ZINC001208202442 1092263925 /nfs/dbraw/zinc/26/39/25/1092263925.db2.gz WHNDWEHPRZRZSC-QGZVFWFLSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C1 ZINC001208202442 1092263939 /nfs/dbraw/zinc/26/39/39/1092263939.db2.gz WHNDWEHPRZRZSC-QGZVFWFLSA-N 2 2 300.377 3.225 20 0 DGADLP Clc1ccc2c(C[N@H+]3CCc4[nH+]ccn4CC3)c[nH]c2c1 ZINC001141590925 1092286233 /nfs/dbraw/zinc/28/62/33/1092286233.db2.gz LLJNYJKWIRIRHC-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CCc4[nH+]ccn4CC3)c[nH]c2c1 ZINC001141590925 1092286237 /nfs/dbraw/zinc/28/62/37/1092286237.db2.gz LLJNYJKWIRIRHC-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2cc(F)ccc2n1 ZINC001141646563 1092307256 /nfs/dbraw/zinc/30/72/56/1092307256.db2.gz SAMONSOYUUZLDT-UHFFFAOYSA-N 2 2 301.409 3.292 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cc(F)ccc2n1 ZINC001141646563 1092307266 /nfs/dbraw/zinc/30/72/66/1092307266.db2.gz SAMONSOYUUZLDT-UHFFFAOYSA-N 2 2 301.409 3.292 20 0 DGADLP Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]c2ccccc12 ZINC000089603079 1092376946 /nfs/dbraw/zinc/37/69/46/1092376946.db2.gz ODYBJFFYHJKWKU-INIZCTEOSA-N 2 2 311.429 3.208 20 0 DGADLP COCC[N@H+](Cc1ccc(SC)s1)C1CC[NH+](C)CC1 ZINC001142025609 1092390054 /nfs/dbraw/zinc/39/00/54/1092390054.db2.gz DGDKMTYTCAXZSQ-UHFFFAOYSA-N 2 2 314.520 3.013 20 0 DGADLP COCC[N@@H+](Cc1ccc(SC)s1)C1CC[NH+](C)CC1 ZINC001142025609 1092390064 /nfs/dbraw/zinc/39/00/64/1092390064.db2.gz DGDKMTYTCAXZSQ-UHFFFAOYSA-N 2 2 314.520 3.013 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3c(Cl)cc(O)cc3Cl)C2)CC1 ZINC001142118497 1092415445 /nfs/dbraw/zinc/41/54/45/1092415445.db2.gz NRGFOCSYXAPYBD-UHFFFAOYSA-N 2 2 315.244 3.227 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccccc3F)CC2)C1 ZINC001208616478 1092430068 /nfs/dbraw/zinc/43/00/68/1092430068.db2.gz JSXKNWQYWUZNOH-HNNXBMFYSA-N 2 2 318.436 3.062 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccccc3F)CC2)C1 ZINC001208616478 1092430080 /nfs/dbraw/zinc/43/00/80/1092430080.db2.gz JSXKNWQYWUZNOH-HNNXBMFYSA-N 2 2 318.436 3.062 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001208649059 1092440330 /nfs/dbraw/zinc/44/03/30/1092440330.db2.gz PDVIPVXXBLCDJD-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nccs1 ZINC001168996249 1092476673 /nfs/dbraw/zinc/47/66/73/1092476673.db2.gz QZZPPNXFORXIND-GJZGRUSLSA-N 2 2 315.486 3.389 20 0 DGADLP Fc1ccc(CCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001208767039 1092493488 /nfs/dbraw/zinc/49/34/88/1092493488.db2.gz KEYOBVHXKJCWFY-UHFFFAOYSA-N 2 2 302.437 3.176 20 0 DGADLP Fc1ccc(CCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001208767039 1092493496 /nfs/dbraw/zinc/49/34/96/1092493496.db2.gz KEYOBVHXKJCWFY-UHFFFAOYSA-N 2 2 302.437 3.176 20 0 DGADLP c1nc2cccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)c2[nH]1 ZINC001142679395 1092528155 /nfs/dbraw/zinc/52/81/55/1092528155.db2.gz DSOBSSBMGYDRJU-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1nc2cccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)c2[nH]1 ZINC001142679395 1092528168 /nfs/dbraw/zinc/52/81/68/1092528168.db2.gz DSOBSSBMGYDRJU-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP CC1(C)C[C@@H]([NH2+]c2ccc3c(c2)NCCO3)C[C@](C)(C[NH3+])C1 ZINC001169143524 1092558763 /nfs/dbraw/zinc/55/87/63/1092558763.db2.gz KILUMDBZQIZRAY-KDOFPFPSSA-N 2 2 303.450 3.447 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccnc2[nH]ccc21 ZINC001142883608 1092576857 /nfs/dbraw/zinc/57/68/57/1092576857.db2.gz KABYHTJEYGPIQR-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccnc2[nH]ccc21 ZINC001142883608 1092576863 /nfs/dbraw/zinc/57/68/63/1092576863.db2.gz KABYHTJEYGPIQR-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CC1(C)C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208934274 1092596535 /nfs/dbraw/zinc/59/65/35/1092596535.db2.gz YARIGZKQMDASRL-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208934274 1092596541 /nfs/dbraw/zinc/59/65/41/1092596541.db2.gz YARIGZKQMDASRL-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001208934274 1092596544 /nfs/dbraw/zinc/59/65/44/1092596544.db2.gz YARIGZKQMDASRL-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001208934274 1092596549 /nfs/dbraw/zinc/59/65/49/1092596549.db2.gz YARIGZKQMDASRL-SFHVURJKSA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001169229551 1092602169 /nfs/dbraw/zinc/60/21/69/1092602169.db2.gz AYQBKEFFNJJBDQ-OAHLLOKOSA-N 2 2 317.260 3.101 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(-c2ccccc2)nn1C ZINC001143016421 1092603777 /nfs/dbraw/zinc/60/37/77/1092603777.db2.gz CEHLQOYSZQIADN-UHFFFAOYSA-N 2 2 314.477 3.251 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(-c2ccccc2)nn1C ZINC001143016421 1092603784 /nfs/dbraw/zinc/60/37/84/1092603784.db2.gz CEHLQOYSZQIADN-UHFFFAOYSA-N 2 2 314.477 3.251 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947757 1092605454 /nfs/dbraw/zinc/60/54/54/1092605454.db2.gz CPAQRVUBUDUUNQ-LJQANCHMSA-N 2 2 322.452 3.403 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947757 1092605458 /nfs/dbraw/zinc/60/54/58/1092605458.db2.gz CPAQRVUBUDUUNQ-LJQANCHMSA-N 2 2 322.452 3.403 20 0 DGADLP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947757 1092605462 /nfs/dbraw/zinc/60/54/62/1092605462.db2.gz CPAQRVUBUDUUNQ-LJQANCHMSA-N 2 2 322.452 3.403 20 0 DGADLP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947757 1092605469 /nfs/dbraw/zinc/60/54/69/1092605469.db2.gz CPAQRVUBUDUUNQ-LJQANCHMSA-N 2 2 322.452 3.403 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082719 1092644394 /nfs/dbraw/zinc/64/43/94/1092644394.db2.gz BQMXWAGRPOZMDZ-OKILXGFUSA-N 2 2 313.272 3.419 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082719 1092644400 /nfs/dbraw/zinc/64/44/00/1092644400.db2.gz BQMXWAGRPOZMDZ-OKILXGFUSA-N 2 2 313.272 3.419 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082719 1092644405 /nfs/dbraw/zinc/64/44/05/1092644405.db2.gz BQMXWAGRPOZMDZ-OKILXGFUSA-N 2 2 313.272 3.419 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082719 1092644412 /nfs/dbraw/zinc/64/44/12/1092644412.db2.gz BQMXWAGRPOZMDZ-OKILXGFUSA-N 2 2 313.272 3.419 20 0 DGADLP CC[N@H+](CCCCOCc1ccccc1)CCn1cc[nH+]c1 ZINC001209264588 1092720287 /nfs/dbraw/zinc/72/02/87/1092720287.db2.gz VUMIJBKSPVUXOF-UHFFFAOYSA-N 2 2 301.434 3.202 20 0 DGADLP CC[N@@H+](CCCCOCc1ccccc1)CCn1cc[nH+]c1 ZINC001209264588 1092720290 /nfs/dbraw/zinc/72/02/90/1092720290.db2.gz VUMIJBKSPVUXOF-UHFFFAOYSA-N 2 2 301.434 3.202 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001206632159 1092724045 /nfs/dbraw/zinc/72/40/45/1092724045.db2.gz GMVMKBATGMADAC-SNVBAGLBSA-N 2 2 321.774 3.315 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001206632159 1092724049 /nfs/dbraw/zinc/72/40/49/1092724049.db2.gz GMVMKBATGMADAC-SNVBAGLBSA-N 2 2 321.774 3.315 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC[NH+]1CCCCC1 ZINC001209450043 1092778713 /nfs/dbraw/zinc/77/87/13/1092778713.db2.gz FJSCJZLNDBZPJJ-RBUKOAKNSA-N 3 2 307.526 3.201 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CCC[NH+]1CCCCC1 ZINC001209450043 1092778720 /nfs/dbraw/zinc/77/87/20/1092778720.db2.gz FJSCJZLNDBZPJJ-RBUKOAKNSA-N 3 2 307.526 3.201 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209450043 1092778730 /nfs/dbraw/zinc/77/87/30/1092778730.db2.gz FJSCJZLNDBZPJJ-RBUKOAKNSA-N 3 2 307.526 3.201 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209450043 1092778736 /nfs/dbraw/zinc/77/87/36/1092778736.db2.gz FJSCJZLNDBZPJJ-RBUKOAKNSA-N 3 2 307.526 3.201 20 0 DGADLP COCC[N@H+](Cc1c[nH]c2ccc(C)cc12)C1CC[NH+](C)CC1 ZINC001209497532 1092796432 /nfs/dbraw/zinc/79/64/32/1092796432.db2.gz SLTLWCYHTDKCAM-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COCC[N@@H+](Cc1c[nH]c2ccc(C)cc12)C1CC[NH+](C)CC1 ZINC001209497532 1092796440 /nfs/dbraw/zinc/79/64/40/1092796440.db2.gz SLTLWCYHTDKCAM-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001209659581 1092867744 /nfs/dbraw/zinc/86/77/44/1092867744.db2.gz PIFMKZBRJUTIGW-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001209659581 1092867750 /nfs/dbraw/zinc/86/77/50/1092867750.db2.gz PIFMKZBRJUTIGW-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP C[N@@H+]1CCC2(C[NH+](CCCc3ccc(Br)cc3)C2)C1 ZINC001276664192 1092876506 /nfs/dbraw/zinc/87/65/06/1092876506.db2.gz NZMQIYHVFATQET-UHFFFAOYSA-N 2 2 323.278 3.019 20 0 DGADLP C[N@H+]1CCC2(C[NH+](CCCc3ccc(Br)cc3)C2)C1 ZINC001276664192 1092876516 /nfs/dbraw/zinc/87/65/16/1092876516.db2.gz NZMQIYHVFATQET-UHFFFAOYSA-N 2 2 323.278 3.019 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209733667 1092895020 /nfs/dbraw/zinc/89/50/20/1092895020.db2.gz RFAKNCLYYHISNT-LLVKDONJSA-N 2 2 320.234 3.450 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209733667 1092895027 /nfs/dbraw/zinc/89/50/27/1092895027.db2.gz RFAKNCLYYHISNT-LLVKDONJSA-N 2 2 320.234 3.450 20 0 DGADLP C[NH+]1CCN(c2cncc(Nc3cccc4cc[nH+]cc43)c2)CC1 ZINC001210225583 1093086161 /nfs/dbraw/zinc/08/61/61/1093086161.db2.gz KFHKDNXICWNWAY-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[NH2+]1 ZINC001210499693 1093188645 /nfs/dbraw/zinc/18/86/45/1093188645.db2.gz VSZRXZHDWPXVAA-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[NH2+]1 ZINC001210499693 1093188649 /nfs/dbraw/zinc/18/86/49/1093188649.db2.gz VSZRXZHDWPXVAA-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001210561806 1093211734 /nfs/dbraw/zinc/21/17/34/1093211734.db2.gz TZHKHBHWAHVGCV-UHFFFAOYSA-N 2 2 302.368 3.283 20 0 DGADLP C[N@@H+]1CCC2(C[NH+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC001276734294 1094113131 /nfs/dbraw/zinc/11/31/31/1094113131.db2.gz VBFLUEOATVKVNK-UHFFFAOYSA-N 2 2 306.453 3.456 20 0 DGADLP C[N@H+]1CCC2(C[NH+](CC(c3ccccc3)c3ccccc3)C2)C1 ZINC001276734294 1094113135 /nfs/dbraw/zinc/11/31/35/1094113135.db2.gz VBFLUEOATVKVNK-UHFFFAOYSA-N 2 2 306.453 3.456 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276740988 1094201990 /nfs/dbraw/zinc/20/19/90/1094201990.db2.gz NQNXQRUESXGTIK-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1F ZINC001276740988 1094201995 /nfs/dbraw/zinc/20/19/95/1094201995.db2.gz NQNXQRUESXGTIK-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1F ZINC001276740988 1094202001 /nfs/dbraw/zinc/20/20/01/1094202001.db2.gz NQNXQRUESXGTIK-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1F ZINC001276740988 1094202004 /nfs/dbraw/zinc/20/20/04/1094202004.db2.gz NQNXQRUESXGTIK-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964522 1094350715 /nfs/dbraw/zinc/35/07/15/1094350715.db2.gz MQCPMYOQFOGRTL-CABCVRRESA-N 2 2 316.449 3.011 20 0 DGADLP Cc1c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)[nH+]c2ccccn12 ZINC001276790128 1094836880 /nfs/dbraw/zinc/83/68/80/1094836880.db2.gz WZJVOXXPIAIDMF-UHFFFAOYSA-N 2 2 324.472 3.093 20 0 DGADLP Cc1c(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)[nH+]c2ccccn12 ZINC001276790128 1094836897 /nfs/dbraw/zinc/83/68/97/1094836897.db2.gz WZJVOXXPIAIDMF-UHFFFAOYSA-N 2 2 324.472 3.093 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218808623 1094870499 /nfs/dbraw/zinc/87/04/99/1094870499.db2.gz HPDUNCFGGWJUSR-FZKQIMNGSA-N 2 2 311.429 3.411 20 0 DGADLP CCCCCCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218837614 1094884753 /nfs/dbraw/zinc/88/47/53/1094884753.db2.gz FHCCLTQVSYJSDK-KRWDZBQOSA-N 2 2 314.433 3.041 20 0 DGADLP c1[nH]c2ncccc2c1C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276805551 1094984353 /nfs/dbraw/zinc/98/43/53/1094984353.db2.gz XRFWWVCPROHBFV-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1[nH]c2ncccc2c1C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276805551 1094984364 /nfs/dbraw/zinc/98/43/64/1094984364.db2.gz XRFWWVCPROHBFV-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)CC2 ZINC001170959421 1095029800 /nfs/dbraw/zinc/02/98/00/1095029800.db2.gz YPZYHDDGZBJCKC-IBGZPJMESA-N 2 2 324.443 3.405 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn2ccccc2n1 ZINC001136881943 1095216320 /nfs/dbraw/zinc/21/63/20/1095216320.db2.gz QOUNXHNDTUHVJN-ROUUACIJSA-N 2 2 312.461 3.173 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn2ccccc2n1 ZINC001136881943 1095216331 /nfs/dbraw/zinc/21/63/31/1095216331.db2.gz QOUNXHNDTUHVJN-ROUUACIJSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2n1 ZINC001136881943 1095216339 /nfs/dbraw/zinc/21/63/39/1095216339.db2.gz QOUNXHNDTUHVJN-ROUUACIJSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2n1 ZINC001136881943 1095216348 /nfs/dbraw/zinc/21/63/48/1095216348.db2.gz QOUNXHNDTUHVJN-ROUUACIJSA-N 2 2 312.461 3.173 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001171061609 1095232557 /nfs/dbraw/zinc/23/25/57/1095232557.db2.gz WEDFJQBUCALVJU-ZDUSSCGKSA-N 2 2 310.228 3.337 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC001137044015 1095304983 /nfs/dbraw/zinc/30/49/83/1095304983.db2.gz ORCFPQOGZOWGRX-UHFFFAOYSA-N 2 2 321.428 3.005 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137044015 1095304996 /nfs/dbraw/zinc/30/49/96/1095304996.db2.gz ORCFPQOGZOWGRX-UHFFFAOYSA-N 2 2 321.428 3.005 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001171107325 1095386058 /nfs/dbraw/zinc/38/60/58/1095386058.db2.gz APOYMCBQAXJZQA-ROUUACIJSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001171107325 1095386070 /nfs/dbraw/zinc/38/60/70/1095386070.db2.gz APOYMCBQAXJZQA-ROUUACIJSA-N 2 2 304.865 3.271 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC001222154191 1095461502 /nfs/dbraw/zinc/46/15/02/1095461502.db2.gz ICJPFUSRBZYSBM-IBGZPJMESA-N 2 2 317.477 3.144 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC001222154191 1095461505 /nfs/dbraw/zinc/46/15/05/1095461505.db2.gz ICJPFUSRBZYSBM-IBGZPJMESA-N 2 2 317.477 3.144 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222190978 1095484694 /nfs/dbraw/zinc/48/46/94/1095484694.db2.gz HAILYEYJQNQXQL-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CCC[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222190978 1095484698 /nfs/dbraw/zinc/48/46/98/1095484698.db2.gz HAILYEYJQNQXQL-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(F)cc1C ZINC001116324180 1095516709 /nfs/dbraw/zinc/51/67/09/1095516709.db2.gz OUAJFPNSCVEPDC-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP CSc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cn1 ZINC001222271100 1095523071 /nfs/dbraw/zinc/52/30/71/1095523071.db2.gz CKDGVRAAIMQHKG-QGZVFWFLSA-N 2 2 305.491 3.078 20 0 DGADLP CSc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cn1 ZINC001222271100 1095523079 /nfs/dbraw/zinc/52/30/79/1095523079.db2.gz CKDGVRAAIMQHKG-QGZVFWFLSA-N 2 2 305.491 3.078 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222277189 1095525390 /nfs/dbraw/zinc/52/53/90/1095525390.db2.gz LGZJILVKOJJCRI-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222277189 1095525401 /nfs/dbraw/zinc/52/54/01/1095525401.db2.gz LGZJILVKOJJCRI-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP FC(F)COc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222292893 1095533544 /nfs/dbraw/zinc/53/35/44/1095533544.db2.gz LQJLQYFWKYGYJH-UHFFFAOYSA-N 2 2 324.415 3.439 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1F ZINC001222314003 1095546299 /nfs/dbraw/zinc/54/62/99/1095546299.db2.gz ABWRMGJGMPXWAH-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1F ZINC001222314003 1095546307 /nfs/dbraw/zinc/54/63/07/1095546307.db2.gz ABWRMGJGMPXWAH-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)cn1 ZINC001222325890 1095552476 /nfs/dbraw/zinc/55/24/76/1095552476.db2.gz KRSOLESZWGTBJD-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(Cl)cn1 ZINC001222325890 1095552484 /nfs/dbraw/zinc/55/24/84/1095552484.db2.gz KRSOLESZWGTBJD-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP Brc1ccc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222345186 1095564413 /nfs/dbraw/zinc/56/44/13/1095564413.db2.gz IMFGNTFUNJQNAD-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222345186 1095564425 /nfs/dbraw/zinc/56/44/25/1095564425.db2.gz IMFGNTFUNJQNAD-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP C[C@@H](C[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360704 1095573045 /nfs/dbraw/zinc/57/30/45/1095573045.db2.gz SQQHAHBXURZEMN-UWJYYQICSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@@H](C[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360704 1095573061 /nfs/dbraw/zinc/57/30/61/1095573061.db2.gz SQQHAHBXURZEMN-UWJYYQICSA-N 2 2 324.468 3.398 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1C ZINC001222426440 1095608018 /nfs/dbraw/zinc/60/80/18/1095608018.db2.gz CQBVXPSBZPLBRM-IBGZPJMESA-N 2 2 302.462 3.338 20 0 DGADLP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1C ZINC001222426440 1095608025 /nfs/dbraw/zinc/60/80/25/1095608025.db2.gz CQBVXPSBZPLBRM-IBGZPJMESA-N 2 2 302.462 3.338 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc(-c2ccncc2)c1 ZINC001222427655 1095608867 /nfs/dbraw/zinc/60/88/67/1095608867.db2.gz VZLNLKBZSSYYKX-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc(-c2ccncc2)c1 ZINC001222427655 1095608872 /nfs/dbraw/zinc/60/88/72/1095608872.db2.gz VZLNLKBZSSYYKX-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222465756 1095627413 /nfs/dbraw/zinc/62/74/13/1095627413.db2.gz YCHOYXQCMOVLSX-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1cccc(CCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222465756 1095627419 /nfs/dbraw/zinc/62/74/19/1095627419.db2.gz YCHOYXQCMOVLSX-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001116789795 1095660360 /nfs/dbraw/zinc/66/03/60/1095660360.db2.gz KNDVYBAILBKLOC-AWEZNQCLSA-N 2 2 309.885 3.322 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001116789795 1095660363 /nfs/dbraw/zinc/66/03/63/1095660363.db2.gz KNDVYBAILBKLOC-AWEZNQCLSA-N 2 2 309.885 3.322 20 0 DGADLP Fc1cc(F)cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595752 1095682127 /nfs/dbraw/zinc/68/21/27/1095682127.db2.gz IBKOFAJZUAASEU-SFHVURJKSA-N 2 2 314.379 3.154 20 0 DGADLP Fc1cc(F)cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595752 1095682134 /nfs/dbraw/zinc/68/21/34/1095682134.db2.gz IBKOFAJZUAASEU-SFHVURJKSA-N 2 2 314.379 3.154 20 0 DGADLP Fc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222596505 1095682763 /nfs/dbraw/zinc/68/27/63/1095682763.db2.gz XRTKCTCCBYXLTC-MRXNPFEDSA-N 2 2 314.379 3.154 20 0 DGADLP Fc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1F ZINC001222596505 1095682767 /nfs/dbraw/zinc/68/27/67/1095682767.db2.gz XRTKCTCCBYXLTC-MRXNPFEDSA-N 2 2 314.379 3.154 20 0 DGADLP COCC[N@H+](Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001137684551 1095712169 /nfs/dbraw/zinc/71/21/69/1095712169.db2.gz SXMFNJVHMOIXFA-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP COCC[N@@H+](Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001137684551 1095712179 /nfs/dbraw/zinc/71/21/79/1095712179.db2.gz SXMFNJVHMOIXFA-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP CC(C)[N@H+](Cc1cccnc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001144561478 1095712362 /nfs/dbraw/zinc/71/23/62/1095712362.db2.gz SJVKNTPTSRBSAD-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1cccnc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001144561478 1095712379 /nfs/dbraw/zinc/71/23/79/1095712379.db2.gz SJVKNTPTSRBSAD-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP C[N@@H+]1CCCC2(CC[NH+](Cc3n[nH]c4cc(F)ccc43)CC2)C1 ZINC001276864693 1095872366 /nfs/dbraw/zinc/87/23/66/1095872366.db2.gz GKYYQKZZMHNMBQ-UHFFFAOYSA-N 2 2 316.424 3.010 20 0 DGADLP Cc1cccc2c1cc[nH+]c2N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001118541920 1096031003 /nfs/dbraw/zinc/03/10/03/1096031003.db2.gz SYQWERQQZZCHSH-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2)cn1 ZINC001118859959 1096094439 /nfs/dbraw/zinc/09/44/39/1096094439.db2.gz HDEIOUQCAMLXMV-HXUWFJFHSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2)cn1 ZINC001118859959 1096094450 /nfs/dbraw/zinc/09/44/50/1096094450.db2.gz HDEIOUQCAMLXMV-HXUWFJFHSA-N 2 2 324.472 3.194 20 0 DGADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001341380205 1096166422 /nfs/dbraw/zinc/16/64/22/1096166422.db2.gz GBXYVFKRDPCQKR-GOSISDBHSA-N 2 2 324.428 3.019 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)/C=C\[C@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378255 1096182166 /nfs/dbraw/zinc/18/21/66/1096182166.db2.gz YXKULJAQRZKVCA-WSVPDTOYSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C=C[C@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378255 1096182167 /nfs/dbraw/zinc/18/21/67/1096182167.db2.gz YXKULJAQRZKVCA-WSVPDTOYSA-N 2 2 324.428 3.188 20 0 DGADLP Fc1ccc(/C=C/C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001119517240 1096218046 /nfs/dbraw/zinc/21/80/46/1096218046.db2.gz PVVCYEZGJKBFES-OWOJBTEDSA-N 2 2 318.436 3.072 20 0 DGADLP CCc1onc(C)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001119728768 1096251883 /nfs/dbraw/zinc/25/18/83/1096251883.db2.gz GRWOPLYZNFHJGP-UHFFFAOYSA-N 2 2 316.449 3.434 20 0 DGADLP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001224967556 1096325335 /nfs/dbraw/zinc/32/53/35/1096325335.db2.gz WOTCCLKIWYICNL-JKSUJKDBSA-N 2 2 319.449 3.418 20 0 DGADLP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001224967556 1096325340 /nfs/dbraw/zinc/32/53/40/1096325340.db2.gz WOTCCLKIWYICNL-JKSUJKDBSA-N 2 2 319.449 3.418 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171405096 1096676208 /nfs/dbraw/zinc/67/62/08/1096676208.db2.gz QFCHYOBKFMVGFJ-DOTOQJQBSA-N 2 2 304.453 3.393 20 0 DGADLP Nc1cc(OC2C[NH+](Cc3ccccc3)C2)c2ccccc2[nH+]1 ZINC001226418231 1096685076 /nfs/dbraw/zinc/68/50/76/1096685076.db2.gz KAKTZWQVIOWVMO-UHFFFAOYSA-N 2 2 305.381 3.080 20 0 DGADLP Fc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171411697 1096696832 /nfs/dbraw/zinc/69/68/32/1096696832.db2.gz MGXYPPTXKIBSEE-SJORKVTESA-N 2 2 302.437 3.147 20 0 DGADLP Fc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171411697 1096696838 /nfs/dbraw/zinc/69/68/38/1096696838.db2.gz MGXYPPTXKIBSEE-SJORKVTESA-N 2 2 302.437 3.147 20 0 DGADLP Fc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171411104 1096697170 /nfs/dbraw/zinc/69/71/70/1096697170.db2.gz DOPKBESAYHOCTA-JKSUJKDBSA-N 2 2 302.437 3.290 20 0 DGADLP Fc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171411104 1096697175 /nfs/dbraw/zinc/69/71/75/1096697175.db2.gz DOPKBESAYHOCTA-JKSUJKDBSA-N 2 2 302.437 3.290 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171418869 1096716675 /nfs/dbraw/zinc/71/66/75/1096716675.db2.gz MWIIFTHVWOMOER-ROUUACIJSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171418869 1096716682 /nfs/dbraw/zinc/71/66/82/1096716682.db2.gz MWIIFTHVWOMOER-ROUUACIJSA-N 2 2 310.416 3.069 20 0 DGADLP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528792 1096919199 /nfs/dbraw/zinc/91/91/99/1096919199.db2.gz SUNLQQSRBLYTDJ-CQSZACIVSA-N 2 2 316.449 3.097 20 0 DGADLP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1nnc2ccccn21 ZINC001171613789 1096934844 /nfs/dbraw/zinc/93/48/44/1096934844.db2.gz QAZGBLGHRRYJTE-ZDUSSCGKSA-N 2 2 315.465 3.031 20 0 DGADLP Cn1nc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c2ccccc21 ZINC001171623992 1096937446 /nfs/dbraw/zinc/93/74/46/1096937446.db2.gz KNRLKAHSLYZNAG-UHFFFAOYSA-N 2 2 314.477 3.314 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001277247697 1097002214 /nfs/dbraw/zinc/00/22/14/1097002214.db2.gz XTRZVJMRSAHFOS-AWEZNQCLSA-N 2 2 317.477 3.295 20 0 DGADLP CN1CCC([N@H+](C2CCCC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130430 1097048910 /nfs/dbraw/zinc/04/89/10/1097048910.db2.gz IEEPTRDEZXOUGS-PMOLBWCYSA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([N@@H+](C2CCCC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130430 1097048916 /nfs/dbraw/zinc/04/89/16/1097048916.db2.gz IEEPTRDEZXOUGS-PMOLBWCYSA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([NH+](C2CCCC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130430 1097048920 /nfs/dbraw/zinc/04/89/20/1097048920.db2.gz IEEPTRDEZXOUGS-PMOLBWCYSA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([NH+](C2CCCC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130430 1097048923 /nfs/dbraw/zinc/04/89/23/1097048923.db2.gz IEEPTRDEZXOUGS-PMOLBWCYSA-N 2 2 319.537 3.341 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)C2 ZINC001172106918 1097054280 /nfs/dbraw/zinc/05/42/80/1097054280.db2.gz QUALOAYBUUEMNA-ZSBIGDGJSA-N 2 2 314.260 3.493 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)C2 ZINC001172106918 1097054285 /nfs/dbraw/zinc/05/42/85/1097054285.db2.gz QUALOAYBUUEMNA-ZSBIGDGJSA-N 2 2 314.260 3.493 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)C2 ZINC001172113736 1097060350 /nfs/dbraw/zinc/06/03/50/1097060350.db2.gz JTUZEWHZNQXLDN-ZSBIGDGJSA-N 2 2 314.260 3.493 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nccc(Cl)c1Cl)C2 ZINC001172113736 1097060356 /nfs/dbraw/zinc/06/03/56/1097060356.db2.gz JTUZEWHZNQXLDN-ZSBIGDGJSA-N 2 2 314.260 3.493 20 0 DGADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172115061 1097060685 /nfs/dbraw/zinc/06/06/85/1097060685.db2.gz UCGBKKNZCGQADR-OPVJXMOQSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172115061 1097060690 /nfs/dbraw/zinc/06/06/90/1097060690.db2.gz UCGBKKNZCGQADR-OPVJXMOQSA-N 2 2 313.489 3.132 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124347 1097065570 /nfs/dbraw/zinc/06/55/70/1097065570.db2.gz KTKCLEYUNLDZKL-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124347 1097065576 /nfs/dbraw/zinc/06/55/76/1097065576.db2.gz KTKCLEYUNLDZKL-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124347 1097065582 /nfs/dbraw/zinc/06/55/82/1097065582.db2.gz KTKCLEYUNLDZKL-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124347 1097065588 /nfs/dbraw/zinc/06/55/88/1097065588.db2.gz KTKCLEYUNLDZKL-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CS2 ZINC001172196094 1097084857 /nfs/dbraw/zinc/08/48/57/1097084857.db2.gz DOLAKPFHRGVYDG-DLBZAZTESA-N 2 2 302.487 3.167 20 0 DGADLP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CS2 ZINC001172196094 1097084861 /nfs/dbraw/zinc/08/48/61/1097084861.db2.gz DOLAKPFHRGVYDG-DLBZAZTESA-N 2 2 302.487 3.167 20 0 DGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001172253324 1097091746 /nfs/dbraw/zinc/09/17/46/1097091746.db2.gz LDTPFOFUHKZWNG-IBGZPJMESA-N 2 2 317.477 3.028 20 0 DGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001172253324 1097091751 /nfs/dbraw/zinc/09/17/51/1097091751.db2.gz LDTPFOFUHKZWNG-IBGZPJMESA-N 2 2 317.477 3.028 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CO1 ZINC001172288374 1097104633 /nfs/dbraw/zinc/10/46/33/1097104633.db2.gz HNNFMNYRDONXNI-LJQANCHMSA-N 2 2 314.473 3.077 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CO1 ZINC001172288374 1097104637 /nfs/dbraw/zinc/10/46/37/1097104637.db2.gz HNNFMNYRDONXNI-LJQANCHMSA-N 2 2 314.473 3.077 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172292389 1097106498 /nfs/dbraw/zinc/10/64/98/1097106498.db2.gz LLJGFSSOXPFQSK-SFHVURJKSA-N 2 2 320.452 3.289 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172292389 1097106500 /nfs/dbraw/zinc/10/65/00/1097106500.db2.gz LLJGFSSOXPFQSK-SFHVURJKSA-N 2 2 320.452 3.289 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172294467 1097107789 /nfs/dbraw/zinc/10/77/89/1097107789.db2.gz ZKDBCOXBGXVKLD-GOSISDBHSA-N 2 2 320.452 3.289 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172294467 1097107791 /nfs/dbraw/zinc/10/77/91/1097107791.db2.gz ZKDBCOXBGXVKLD-GOSISDBHSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@H]1C ZINC001172373167 1097110782 /nfs/dbraw/zinc/11/07/82/1097110782.db2.gz LEEOBDWIFYVKCE-KLBVCGFUSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@H]1C ZINC001172373167 1097110785 /nfs/dbraw/zinc/11/07/85/1097110785.db2.gz LEEOBDWIFYVKCE-KLBVCGFUSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C[C@H]1C ZINC001172373167 1097110787 /nfs/dbraw/zinc/11/07/87/1097110787.db2.gz LEEOBDWIFYVKCE-KLBVCGFUSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C[C@H]1C ZINC001172373167 1097110791 /nfs/dbraw/zinc/11/07/91/1097110791.db2.gz LEEOBDWIFYVKCE-KLBVCGFUSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C[C@@H]1C ZINC001172373169 1097110996 /nfs/dbraw/zinc/11/09/96/1097110996.db2.gz LEEOBDWIFYVKCE-NSOKGPEJSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@H]1C ZINC001172377105 1097112511 /nfs/dbraw/zinc/11/25/11/1097112511.db2.gz XCJQLNVOJOBSPZ-JFIYKMOQSA-N 2 2 316.493 3.119 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@H]1C ZINC001172377105 1097112515 /nfs/dbraw/zinc/11/25/15/1097112515.db2.gz XCJQLNVOJOBSPZ-JFIYKMOQSA-N 2 2 316.493 3.119 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@H]1C ZINC001172371365 1097129077 /nfs/dbraw/zinc/12/90/77/1097129077.db2.gz FDDRSWJRIMDSFF-KFWWJZLASA-N 2 2 314.433 3.102 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@H]1C ZINC001172371365 1097129081 /nfs/dbraw/zinc/12/90/81/1097129081.db2.gz FDDRSWJRIMDSFF-KFWWJZLASA-N 2 2 314.433 3.102 20 0 DGADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172402540 1097145487 /nfs/dbraw/zinc/14/54/87/1097145487.db2.gz NWYFRHZURKHHPW-CEXWTWQISA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172402540 1097145491 /nfs/dbraw/zinc/14/54/91/1097145491.db2.gz NWYFRHZURKHHPW-CEXWTWQISA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172402540 1097145494 /nfs/dbraw/zinc/14/54/94/1097145494.db2.gz NWYFRHZURKHHPW-CEXWTWQISA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172402540 1097145498 /nfs/dbraw/zinc/14/54/98/1097145498.db2.gz NWYFRHZURKHHPW-CEXWTWQISA-N 2 2 301.478 3.270 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCOc1cc[nH+]cc1 ZINC001172849807 1097262017 /nfs/dbraw/zinc/26/20/17/1097262017.db2.gz QAMXXVMIZXGYAA-GFCCVEGCSA-N 2 2 308.784 3.474 20 0 DGADLP C[NH+]1CCC(c2ccc(Nc3[nH+]cccc3CCO)cc2)CC1 ZINC001212689994 1097277580 /nfs/dbraw/zinc/27/75/80/1097277580.db2.gz PYPXHLDDILRAJE-UHFFFAOYSA-N 2 2 311.429 3.169 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1F ZINC001206185443 1097308032 /nfs/dbraw/zinc/30/80/32/1097308032.db2.gz NUYJDJKUJNDCQV-UONOGXRCSA-N 2 2 305.422 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1F ZINC001206185443 1097308037 /nfs/dbraw/zinc/30/80/37/1097308037.db2.gz NUYJDJKUJNDCQV-UONOGXRCSA-N 2 2 305.422 3.071 20 0 DGADLP CC[NH+](CC)C1CCC(n2c[nH+]c(C)c2CSCC[NH3+])CC1 ZINC001173103681 1097329921 /nfs/dbraw/zinc/32/99/21/1097329921.db2.gz OLCFNYFIYJMPPV-UHFFFAOYSA-N 3 2 324.538 3.209 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)ccc2c1 ZINC001231445459 1097751407 /nfs/dbraw/zinc/75/14/07/1097751407.db2.gz XMRCXXXJATVVPU-FPOVZHCZSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)ccc2c1 ZINC001231445459 1097751412 /nfs/dbraw/zinc/75/14/12/1097751412.db2.gz XMRCXXXJATVVPU-FPOVZHCZSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)ccc2c1 ZINC001231445459 1097751414 /nfs/dbraw/zinc/75/14/14/1097751414.db2.gz XMRCXXXJATVVPU-FPOVZHCZSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)ccc2c1 ZINC001231445459 1097751418 /nfs/dbraw/zinc/75/14/18/1097751418.db2.gz XMRCXXXJATVVPU-FPOVZHCZSA-N 2 2 323.484 3.432 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)s1 ZINC001231502694 1097765488 /nfs/dbraw/zinc/76/54/88/1097765488.db2.gz UZKGRCYOOISDNZ-UHFFFAOYSA-N 2 2 322.518 3.386 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)s1 ZINC001231502694 1097765493 /nfs/dbraw/zinc/76/54/93/1097765493.db2.gz UZKGRCYOOISDNZ-UHFFFAOYSA-N 2 2 322.518 3.386 20 0 DGADLP C[NH+]1CCN(c2ccc([N@@H+]3CCCc4cc(N)ccc43)cc2)CC1 ZINC001174817160 1097847127 /nfs/dbraw/zinc/84/71/27/1097847127.db2.gz IKYSBTHJQPEAQS-UHFFFAOYSA-N 2 2 322.456 3.105 20 0 DGADLP C[NH+]1CCN(c2ccc([N@H+]3CCCc4cc(N)ccc43)cc2)CC1 ZINC001174817160 1097847137 /nfs/dbraw/zinc/84/71/37/1097847137.db2.gz IKYSBTHJQPEAQS-UHFFFAOYSA-N 2 2 322.456 3.105 20 0 DGADLP COc1cccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c21 ZINC001231895379 1097883084 /nfs/dbraw/zinc/88/30/84/1097883084.db2.gz MLKOMUDKILFTCT-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP CC(C)[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC001232148412 1097951271 /nfs/dbraw/zinc/95/12/71/1097951271.db2.gz CIXFJMORIAWGJJ-UHFFFAOYSA-N 3 2 321.484 3.192 20 0 DGADLP CC(C)[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC001232148412 1097951275 /nfs/dbraw/zinc/95/12/75/1097951275.db2.gz CIXFJMORIAWGJJ-UHFFFAOYSA-N 3 2 321.484 3.192 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001232220216 1097971553 /nfs/dbraw/zinc/97/15/53/1097971553.db2.gz HORUOXNZDGQLMI-CALCHBBNSA-N 2 2 301.478 3.153 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001232220216 1097971559 /nfs/dbraw/zinc/97/15/59/1097971559.db2.gz HORUOXNZDGQLMI-CALCHBBNSA-N 2 2 301.478 3.153 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001232220216 1097971565 /nfs/dbraw/zinc/97/15/65/1097971565.db2.gz HORUOXNZDGQLMI-CALCHBBNSA-N 2 2 301.478 3.153 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccnc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001232220216 1097971571 /nfs/dbraw/zinc/97/15/71/1097971571.db2.gz HORUOXNZDGQLMI-CALCHBBNSA-N 2 2 301.478 3.153 20 0 DGADLP CCOc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C)n1 ZINC001232314017 1098001229 /nfs/dbraw/zinc/00/12/29/1098001229.db2.gz JBVMOIAQBDHEHM-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CCOc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C)n1 ZINC001232314017 1098001236 /nfs/dbraw/zinc/00/12/36/1098001236.db2.gz JBVMOIAQBDHEHM-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001232386866 1098019998 /nfs/dbraw/zinc/01/99/98/1098019998.db2.gz AGHWSNUKYUAIKE-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001232386866 1098020000 /nfs/dbraw/zinc/02/00/00/1098020000.db2.gz AGHWSNUKYUAIKE-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)c[nH+]1 ZINC001232459352 1098043898 /nfs/dbraw/zinc/04/38/98/1098043898.db2.gz CTCRWHVCRGVWNW-QGZVFWFLSA-N 2 2 311.429 3.257 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3ncsc32)CC1 ZINC001232737334 1098124677 /nfs/dbraw/zinc/12/46/77/1098124677.db2.gz XVIUHPIMHGJSLI-UHFFFAOYSA-N 2 2 301.459 3.355 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3ncsc32)CC1 ZINC001232737334 1098124681 /nfs/dbraw/zinc/12/46/81/1098124681.db2.gz XVIUHPIMHGJSLI-UHFFFAOYSA-N 2 2 301.459 3.355 20 0 DGADLP CN(CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC001175668565 1098131864 /nfs/dbraw/zinc/13/18/64/1098131864.db2.gz CIIORVRYLWFOEW-HXUWFJFHSA-N 2 2 320.440 3.350 20 0 DGADLP C[N@H+](Cc1ccc(CCO)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232780807 1098132658 /nfs/dbraw/zinc/13/26/58/1098132658.db2.gz NQORLGJZUCIOOW-UHFFFAOYSA-N 2 2 321.424 3.039 20 0 DGADLP C[N@@H+](Cc1ccc(CCO)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232780807 1098132662 /nfs/dbraw/zinc/13/26/62/1098132662.db2.gz NQORLGJZUCIOOW-UHFFFAOYSA-N 2 2 321.424 3.039 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232868968 1098157567 /nfs/dbraw/zinc/15/75/67/1098157567.db2.gz UYRJETURZCIRQL-MRXNPFEDSA-N 2 2 323.396 3.230 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232868968 1098157572 /nfs/dbraw/zinc/15/75/72/1098157572.db2.gz UYRJETURZCIRQL-MRXNPFEDSA-N 2 2 323.396 3.230 20 0 DGADLP Cc1[nH+]c2ccccn2c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175856533 1098192987 /nfs/dbraw/zinc/19/29/87/1098192987.db2.gz JJLDEIZGNYKUNY-UHFFFAOYSA-N 2 2 322.412 3.219 20 0 DGADLP c1c2cccnc2sc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001233345069 1098295270 /nfs/dbraw/zinc/29/52/70/1098295270.db2.gz FEPLZLAVYWVASU-UHFFFAOYSA-N 2 2 301.459 3.357 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccn(C(=O)OC(C)(C)C)c2)CC1 ZINC001233432505 1098330134 /nfs/dbraw/zinc/33/01/34/1098330134.db2.gz ONTJWIGYQRYRCX-UHFFFAOYSA-N 2 2 321.465 3.187 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccn(C(=O)OC(C)(C)C)c2)CC1 ZINC001233432505 1098330139 /nfs/dbraw/zinc/33/01/39/1098330139.db2.gz ONTJWIGYQRYRCX-UHFFFAOYSA-N 2 2 321.465 3.187 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(C)s2)CC1 ZINC001233692752 1098409521 /nfs/dbraw/zinc/40/95/21/1098409521.db2.gz ORMSWHUQCLWMTF-KRWDZBQOSA-N 2 2 322.518 3.440 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(C)s2)CC1 ZINC001233692752 1098409524 /nfs/dbraw/zinc/40/95/24/1098409524.db2.gz ORMSWHUQCLWMTF-KRWDZBQOSA-N 2 2 322.518 3.440 20 0 DGADLP c1cn2cc(O[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001233748670 1098422463 /nfs/dbraw/zinc/42/24/63/1098422463.db2.gz LJNGPRFPNFEYKE-KRWDZBQOSA-N 2 2 307.397 3.378 20 0 DGADLP c1cn2cc(O[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001233748670 1098422467 /nfs/dbraw/zinc/42/24/67/1098422467.db2.gz LJNGPRFPNFEYKE-KRWDZBQOSA-N 2 2 307.397 3.378 20 0 DGADLP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233755826 1098423071 /nfs/dbraw/zinc/42/30/71/1098423071.db2.gz URYPERKNPKGQGR-HZPDHXFCSA-N 2 2 322.412 3.334 20 0 DGADLP CC[C@@H](C)[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001277807647 1098431311 /nfs/dbraw/zinc/43/13/11/1098431311.db2.gz OXRFXXSHORFMBO-OAHLLOKOSA-N 2 2 312.461 3.259 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001177066388 1098470324 /nfs/dbraw/zinc/47/03/24/1098470324.db2.gz WKLMAIVZARJZAY-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001177066388 1098470325 /nfs/dbraw/zinc/47/03/25/1098470325.db2.gz WKLMAIVZARJZAY-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)ccc1-n1cc[nH+]c1 ZINC001234033626 1098480809 /nfs/dbraw/zinc/48/08/09/1098480809.db2.gz TZCAGYHDIZNXSK-ZFWWWQNUSA-N 2 2 303.381 3.061 20 0 DGADLP COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2CF)ccc1-n1cc[nH+]c1 ZINC001234033626 1098480812 /nfs/dbraw/zinc/48/08/12/1098480812.db2.gz TZCAGYHDIZNXSK-ZFWWWQNUSA-N 2 2 303.381 3.061 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCC[C@@H](C)C1 ZINC001177261411 1098508231 /nfs/dbraw/zinc/50/82/31/1098508231.db2.gz DNFRCHVXFDPYKT-CABCVRRESA-N 2 2 318.490 3.144 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCOCC2)c2ccccc2)CC1 ZINC001177442935 1098539156 /nfs/dbraw/zinc/53/91/56/1098539156.db2.gz XVMCQIVUEQSMFS-IBGZPJMESA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001177483433 1098539799 /nfs/dbraw/zinc/53/97/99/1098539799.db2.gz RNMZPFGMFAOQMY-CQSZACIVSA-N 2 2 309.885 3.228 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001177483433 1098539806 /nfs/dbraw/zinc/53/98/06/1098539806.db2.gz RNMZPFGMFAOQMY-CQSZACIVSA-N 2 2 309.885 3.228 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c(C)[nH+]1 ZINC001234626172 1098624666 /nfs/dbraw/zinc/62/46/66/1098624666.db2.gz DYXASFPFXIZNBA-UHFFFAOYSA-N 2 2 303.450 3.198 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1N1CCCC1 ZINC001234998340 1098741613 /nfs/dbraw/zinc/74/16/13/1098741613.db2.gz HTOPUFRTWZHNIU-IBGZPJMESA-N 2 2 317.452 3.001 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1N1CCCC1 ZINC001234998340 1098741625 /nfs/dbraw/zinc/74/16/25/1098741625.db2.gz HTOPUFRTWZHNIU-IBGZPJMESA-N 2 2 317.452 3.001 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC001235000283 1098743322 /nfs/dbraw/zinc/74/33/22/1098743322.db2.gz QGPCFPMFPDRWBZ-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC001235000283 1098743330 /nfs/dbraw/zinc/74/33/30/1098743330.db2.gz QGPCFPMFPDRWBZ-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235002839 1098745324 /nfs/dbraw/zinc/74/53/24/1098745324.db2.gz XUWPLLXLPWGOLW-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235002839 1098745336 /nfs/dbraw/zinc/74/53/36/1098745336.db2.gz XUWPLLXLPWGOLW-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235009450 1098751282 /nfs/dbraw/zinc/75/12/82/1098751282.db2.gz ZZBIKWZNZWHFRD-UHFFFAOYSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235009450 1098751294 /nfs/dbraw/zinc/75/12/94/1098751294.db2.gz ZZBIKWZNZWHFRD-UHFFFAOYSA-N 2 2 322.452 3.497 20 0 DGADLP Clc1ccc(-c2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)n2)cc1 ZINC001235025503 1098756973 /nfs/dbraw/zinc/75/69/73/1098756973.db2.gz DCGKSORFRDXXLJ-UHFFFAOYSA-N 2 2 313.832 3.197 20 0 DGADLP Clc1ccc(-c2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)n2)cc1 ZINC001235025503 1098756978 /nfs/dbraw/zinc/75/69/78/1098756978.db2.gz DCGKSORFRDXXLJ-UHFFFAOYSA-N 2 2 313.832 3.197 20 0 DGADLP Clc1ccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)o2)cc1 ZINC001235024885 1098758161 /nfs/dbraw/zinc/75/81/61/1098758161.db2.gz REVBIAKPTUORAR-UHFFFAOYSA-N 2 2 302.805 3.395 20 0 DGADLP Clc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)o2)cc1 ZINC001235024885 1098758171 /nfs/dbraw/zinc/75/81/71/1098758171.db2.gz REVBIAKPTUORAR-UHFFFAOYSA-N 2 2 302.805 3.395 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2c(c1)CCCO2 ZINC001235037740 1098766763 /nfs/dbraw/zinc/76/67/63/1098766763.db2.gz HUIWOUDYOHBMEO-LJQANCHMSA-N 2 2 318.436 3.259 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2c(c1)CCCO2 ZINC001235037740 1098766770 /nfs/dbraw/zinc/76/67/70/1098766770.db2.gz HUIWOUDYOHBMEO-LJQANCHMSA-N 2 2 318.436 3.259 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235045714 1098772176 /nfs/dbraw/zinc/77/21/76/1098772176.db2.gz MNUOLDAPBDCMKS-HXUWFJFHSA-N 2 2 324.472 3.493 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235045714 1098772184 /nfs/dbraw/zinc/77/21/84/1098772184.db2.gz MNUOLDAPBDCMKS-HXUWFJFHSA-N 2 2 324.472 3.493 20 0 DGADLP C[N@H+](Cc1ccc(Oc2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001235112591 1098813576 /nfs/dbraw/zinc/81/35/76/1098813576.db2.gz OXPHBMGSPKRMPI-UHFFFAOYSA-N 2 2 311.429 3.400 20 0 DGADLP C[N@@H+](Cc1ccc(Oc2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001235112591 1098813595 /nfs/dbraw/zinc/81/35/95/1098813595.db2.gz OXPHBMGSPKRMPI-UHFFFAOYSA-N 2 2 311.429 3.400 20 0 DGADLP [NH3+][C@H](C[NH+]1CCC2(CNc3ccccc32)CC1)c1ccccc1 ZINC001235138737 1098833940 /nfs/dbraw/zinc/83/39/40/1098833940.db2.gz DINMEHJXLQWRFA-GOSISDBHSA-N 2 2 307.441 3.146 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(-c2ccccc2)nc1)[NH+]1CCCCC1 ZINC001178462552 1098839399 /nfs/dbraw/zinc/83/93/99/1098839399.db2.gz GYWVWSXKKITLCW-QGZVFWFLSA-N 2 2 324.472 3.498 20 0 DGADLP CCc1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001178458110 1098839481 /nfs/dbraw/zinc/83/94/81/1098839481.db2.gz PVCZZXRALOSUCB-KGLIPLIRSA-N 2 2 307.507 3.448 20 0 DGADLP CCc1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001178458110 1098839493 /nfs/dbraw/zinc/83/94/93/1098839493.db2.gz PVCZZXRALOSUCB-KGLIPLIRSA-N 2 2 307.507 3.448 20 0 DGADLP CCc1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001178458111 1098839569 /nfs/dbraw/zinc/83/95/69/1098839569.db2.gz PVCZZXRALOSUCB-UONOGXRCSA-N 2 2 307.507 3.448 20 0 DGADLP CCc1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001178458111 1098839583 /nfs/dbraw/zinc/83/95/83/1098839583.db2.gz PVCZZXRALOSUCB-UONOGXRCSA-N 2 2 307.507 3.448 20 0 DGADLP c1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001235177314 1098858366 /nfs/dbraw/zinc/85/83/66/1098858366.db2.gz HVYZRWUVEMCEJT-FQEVSTJZSA-N 2 2 313.489 3.395 20 0 DGADLP c1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001235177314 1098858373 /nfs/dbraw/zinc/85/83/73/1098858373.db2.gz HVYZRWUVEMCEJT-FQEVSTJZSA-N 2 2 313.489 3.395 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001206338305 1098898744 /nfs/dbraw/zinc/89/87/44/1098898744.db2.gz ZBEBWTLKKUWZHC-HNNXBMFYSA-N 2 2 318.358 3.401 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001206338305 1098898754 /nfs/dbraw/zinc/89/87/54/1098898754.db2.gz ZBEBWTLKKUWZHC-HNNXBMFYSA-N 2 2 318.358 3.401 20 0 DGADLP Oc1cc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235239370 1098914079 /nfs/dbraw/zinc/91/40/79/1098914079.db2.gz JVVWLGRKXRXSHI-INIZCTEOSA-N 2 2 310.388 3.025 20 0 DGADLP Oc1c(F)ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235243233 1098916099 /nfs/dbraw/zinc/91/60/99/1098916099.db2.gz WOCKEQXMMIEPSZ-HNNXBMFYSA-N 2 2 310.388 3.025 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(Oc3ccc(O)cc3)c1)C2 ZINC001235248030 1098920854 /nfs/dbraw/zinc/92/08/54/1098920854.db2.gz LPHIZSBWBLSKNK-OXQOHEQNSA-N 2 2 324.424 3.498 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(Oc3ccc(O)cc3)c1)C2 ZINC001235248030 1098920860 /nfs/dbraw/zinc/92/08/60/1098920860.db2.gz LPHIZSBWBLSKNK-OXQOHEQNSA-N 2 2 324.424 3.498 20 0 DGADLP CC(C)C[C@H](C(=O)NCCCCCC[NH2+]C(C)C)n1cc[nH+]c1 ZINC001178770694 1098922126 /nfs/dbraw/zinc/92/21/26/1098922126.db2.gz NOEQVWBKVSXGIB-QGZVFWFLSA-N 2 2 322.497 3.145 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(C)n1 ZINC001235251957 1098923979 /nfs/dbraw/zinc/92/39/79/1098923979.db2.gz YJSHJBMIADVRJK-NHCUHLMSSA-N 2 2 321.468 3.420 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(C)n1 ZINC001235251957 1098923983 /nfs/dbraw/zinc/92/39/83/1098923983.db2.gz YJSHJBMIADVRJK-NHCUHLMSSA-N 2 2 321.468 3.420 20 0 DGADLP Clc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC001235259289 1098930827 /nfs/dbraw/zinc/93/08/27/1098930827.db2.gz UVNKFZDPMSMTFF-YJBOKZPZSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC001235259289 1098930835 /nfs/dbraw/zinc/93/08/35/1098930835.db2.gz UVNKFZDPMSMTFF-YJBOKZPZSA-N 2 2 313.832 3.196 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235260971 1098933102 /nfs/dbraw/zinc/93/31/02/1098933102.db2.gz OMKOGDPBDZHIFV-FXAWDEMLSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235260971 1098933107 /nfs/dbraw/zinc/93/31/07/1098933107.db2.gz OMKOGDPBDZHIFV-FXAWDEMLSA-N 2 2 308.425 3.156 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403243 1098999168 /nfs/dbraw/zinc/99/91/68/1098999168.db2.gz KNIJPQLKGULDLX-SJORKVTESA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403243 1098999181 /nfs/dbraw/zinc/99/91/81/1098999181.db2.gz KNIJPQLKGULDLX-SJORKVTESA-N 2 2 321.827 3.345 20 0 DGADLP Cc1csc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235403638 1099001521 /nfs/dbraw/zinc/00/15/21/1099001521.db2.gz LPANSMQDFKZNFV-OCCSQVGLSA-N 2 2 302.846 3.233 20 0 DGADLP Cc1csc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235403638 1099001533 /nfs/dbraw/zinc/00/15/33/1099001533.db2.gz LPANSMQDFKZNFV-OCCSQVGLSA-N 2 2 302.846 3.233 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404730 1099001790 /nfs/dbraw/zinc/00/17/90/1099001790.db2.gz NZWKPSFMVBXNPP-NVXWUHKLSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404730 1099001803 /nfs/dbraw/zinc/00/18/03/1099001803.db2.gz NZWKPSFMVBXNPP-NVXWUHKLSA-N 2 2 321.827 3.345 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2)cc1F ZINC001235435562 1099034163 /nfs/dbraw/zinc/03/41/63/1099034163.db2.gz PIYVTXZWJNZNAK-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccccc2)cc1F ZINC001235435562 1099034173 /nfs/dbraw/zinc/03/41/73/1099034173.db2.gz PIYVTXZWJNZNAK-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235467221 1099051271 /nfs/dbraw/zinc/05/12/71/1099051271.db2.gz WOGPNLWRVSNWSS-UHFFFAOYSA-N 2 2 322.758 3.422 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235467221 1099051283 /nfs/dbraw/zinc/05/12/83/1099051283.db2.gz WOGPNLWRVSNWSS-UHFFFAOYSA-N 2 2 322.758 3.422 20 0 DGADLP CCC[C@H](CCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358924 1099068188 /nfs/dbraw/zinc/06/81/88/1099068188.db2.gz LUTJUINPNCOCDT-QZTJIDSGSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@H](CCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358924 1099068201 /nfs/dbraw/zinc/06/82/01/1099068201.db2.gz LUTJUINPNCOCDT-QZTJIDSGSA-N 2 2 304.478 3.180 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001235637902 1099104711 /nfs/dbraw/zinc/10/47/11/1099104711.db2.gz LMTZUIBYKBXYKI-QRFRQXIXSA-N 2 2 313.489 3.073 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]3)CC[C@@H]21 ZINC001235637902 1099104715 /nfs/dbraw/zinc/10/47/15/1099104715.db2.gz LMTZUIBYKBXYKI-QRFRQXIXSA-N 2 2 313.489 3.073 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCCC[C@@H]2c2ccccc2F)CO1 ZINC001235677658 1099120667 /nfs/dbraw/zinc/12/06/67/1099120667.db2.gz HSRPPULDFXPZKL-WMLDXEAASA-N 2 2 306.425 3.467 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCCC[C@@H]2c2ccccc2F)CO1 ZINC001235677658 1099120673 /nfs/dbraw/zinc/12/06/73/1099120673.db2.gz HSRPPULDFXPZKL-WMLDXEAASA-N 2 2 306.425 3.467 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1Br ZINC001235676609 1099120687 /nfs/dbraw/zinc/12/06/87/1099120687.db2.gz SRMMWXTTXJYFCJ-ZDUSSCGKSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(C)c1Br ZINC001235676609 1099120690 /nfs/dbraw/zinc/12/06/90/1099120690.db2.gz SRMMWXTTXJYFCJ-ZDUSSCGKSA-N 2 2 311.267 3.237 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001235693169 1099132460 /nfs/dbraw/zinc/13/24/60/1099132460.db2.gz UIQPHFXWTWGLBB-QUCCMNQESA-N 2 2 310.441 3.100 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001235693169 1099132464 /nfs/dbraw/zinc/13/24/64/1099132464.db2.gz UIQPHFXWTWGLBB-QUCCMNQESA-N 2 2 310.441 3.100 20 0 DGADLP Fc1cccc(-c2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cn2)c1 ZINC001235713727 1099142283 /nfs/dbraw/zinc/14/22/83/1099142283.db2.gz OHAMODBQDIRTAM-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP Fc1cccc(-c2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cn2)c1 ZINC001235713727 1099142287 /nfs/dbraw/zinc/14/22/87/1099142287.db2.gz OHAMODBQDIRTAM-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccccc1 ZINC001235724085 1099147857 /nfs/dbraw/zinc/14/78/57/1099147857.db2.gz CPTWZYCBYVYFBH-IBGZPJMESA-N 2 2 310.441 3.497 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccccc1 ZINC001235724085 1099147860 /nfs/dbraw/zinc/14/78/60/1099147860.db2.gz CPTWZYCBYVYFBH-IBGZPJMESA-N 2 2 310.441 3.497 20 0 DGADLP COc1ccc([C@@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235726144 1099149701 /nfs/dbraw/zinc/14/97/01/1099149701.db2.gz NCZWZPFUMRAKET-AEFFLSMTSA-N 2 2 320.502 3.317 20 0 DGADLP COc1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235726144 1099149707 /nfs/dbraw/zinc/14/97/07/1099149707.db2.gz NCZWZPFUMRAKET-AEFFLSMTSA-N 2 2 320.502 3.317 20 0 DGADLP CC[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C1CC[NH2+]CC1 ZINC001235762963 1099170181 /nfs/dbraw/zinc/17/01/81/1099170181.db2.gz XVGLYHZVTMIECV-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C1CC[NH2+]CC1 ZINC001235762963 1099170184 /nfs/dbraw/zinc/17/01/84/1099170184.db2.gz XVGLYHZVTMIECV-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP CCCCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705524 1099179203 /nfs/dbraw/zinc/17/92/03/1099179203.db2.gz HRXYXPCMKVCNRX-QGZVFWFLSA-N 2 2 322.497 3.291 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC001235797453 1099185659 /nfs/dbraw/zinc/18/56/59/1099185659.db2.gz UTZBYVBXKMTVKW-LJQANCHMSA-N 2 2 312.457 3.462 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC001235797453 1099185663 /nfs/dbraw/zinc/18/56/63/1099185663.db2.gz UTZBYVBXKMTVKW-LJQANCHMSA-N 2 2 312.457 3.462 20 0 DGADLP COCCC[N@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235805744 1099187395 /nfs/dbraw/zinc/18/73/95/1099187395.db2.gz KETLOVDCAGDNPK-LJQANCHMSA-N 2 2 304.478 3.202 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001235805744 1099187402 /nfs/dbraw/zinc/18/74/02/1099187402.db2.gz KETLOVDCAGDNPK-LJQANCHMSA-N 2 2 304.478 3.202 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)c2c1 ZINC001235892109 1099236031 /nfs/dbraw/zinc/23/60/31/1099236031.db2.gz KXXWSJMTTODEKF-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)c2c1 ZINC001235892109 1099236040 /nfs/dbraw/zinc/23/60/40/1099236040.db2.gz KXXWSJMTTODEKF-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2ncc(Br)cc2c1 ZINC001235948067 1099281404 /nfs/dbraw/zinc/28/14/04/1099281404.db2.gz RQPROXSLJYUGLH-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2ncc(Br)cc2c1 ZINC001235948067 1099281410 /nfs/dbraw/zinc/28/14/10/1099281410.db2.gz RQPROXSLJYUGLH-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979831 1099309663 /nfs/dbraw/zinc/30/96/63/1099309663.db2.gz LCICOJMFMZODFL-ICSRJNTNSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979831 1099309674 /nfs/dbraw/zinc/30/96/74/1099309674.db2.gz LCICOJMFMZODFL-ICSRJNTNSA-N 2 2 308.425 3.189 20 0 DGADLP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C2CCCC2)n1 ZINC001180099355 1099313820 /nfs/dbraw/zinc/31/38/20/1099313820.db2.gz YFRCQBQYCQJOGI-GOSISDBHSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C2CCCC2)n1 ZINC001180099355 1099313833 /nfs/dbraw/zinc/31/38/33/1099313833.db2.gz YFRCQBQYCQJOGI-GOSISDBHSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C2CCCC2)n1 ZINC001180099355 1099313845 /nfs/dbraw/zinc/31/38/45/1099313845.db2.gz YFRCQBQYCQJOGI-GOSISDBHSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C2CCCC2)n1 ZINC001180099355 1099313859 /nfs/dbraw/zinc/31/38/59/1099313859.db2.gz YFRCQBQYCQJOGI-GOSISDBHSA-N 2 2 318.509 3.384 20 0 DGADLP CC[N@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@H]1CCC[NH2+]C1 ZINC001236008048 1099330073 /nfs/dbraw/zinc/33/00/73/1099330073.db2.gz PYLLBPSLTRRNDM-FQEVSTJZSA-N 2 2 311.473 3.480 20 0 DGADLP CC[N@@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@H]1CCC[NH2+]C1 ZINC001236008048 1099330086 /nfs/dbraw/zinc/33/00/86/1099330086.db2.gz PYLLBPSLTRRNDM-FQEVSTJZSA-N 2 2 311.473 3.480 20 0 DGADLP Fc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(F)cc1Cl ZINC001236008282 1099330830 /nfs/dbraw/zinc/33/08/30/1099330830.db2.gz ALOBUBMLNNAFJV-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP Fc1c(Cl)ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1F ZINC001236008405 1099331573 /nfs/dbraw/zinc/33/15/73/1099331573.db2.gz DFFQAQFVUCHEMU-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP CC[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236009558 1099333127 /nfs/dbraw/zinc/33/31/27/1099333127.db2.gz NJPOVAACYXUENW-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236009558 1099333137 /nfs/dbraw/zinc/33/31/37/1099333137.db2.gz NJPOVAACYXUENW-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001236052014 1099354978 /nfs/dbraw/zinc/35/49/78/1099354978.db2.gz ZHSRBVSRRVDILI-HIFRSBDPSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001236052014 1099354989 /nfs/dbraw/zinc/35/49/89/1099354989.db2.gz ZHSRBVSRRVDILI-HIFRSBDPSA-N 2 2 314.429 3.026 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001236067842 1099366048 /nfs/dbraw/zinc/36/60/48/1099366048.db2.gz QHSOMSFZZGJLIM-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001236067842 1099366060 /nfs/dbraw/zinc/36/60/60/1099366060.db2.gz QHSOMSFZZGJLIM-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CCC[NH2+]1 ZINC001236100649 1099388668 /nfs/dbraw/zinc/38/86/68/1099388668.db2.gz LXYNFBUVTYTGCZ-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)CCC[NH2+]1 ZINC001236100649 1099388679 /nfs/dbraw/zinc/38/86/79/1099388679.db2.gz LXYNFBUVTYTGCZ-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)c2ccccc2OC)cc1 ZINC001236143114 1099428977 /nfs/dbraw/zinc/42/89/77/1099428977.db2.gz GJEBIBXDARMSEP-UHFFFAOYSA-N 2 2 313.445 3.244 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)c2ccccc2OC)cc1 ZINC001236143114 1099428981 /nfs/dbraw/zinc/42/89/81/1099428981.db2.gz GJEBIBXDARMSEP-UHFFFAOYSA-N 2 2 313.445 3.244 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236206908 1099462723 /nfs/dbraw/zinc/46/27/23/1099462723.db2.gz LLCQFRMJLANGKZ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236206908 1099462729 /nfs/dbraw/zinc/46/27/29/1099462729.db2.gz LLCQFRMJLANGKZ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP COc1c(F)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217575 1099474390 /nfs/dbraw/zinc/47/43/90/1099474390.db2.gz PFQBLMVSWUHZHP-KBPBESRZSA-N 2 2 300.805 3.189 20 0 DGADLP COc1c(F)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217575 1099474393 /nfs/dbraw/zinc/47/43/93/1099474393.db2.gz PFQBLMVSWUHZHP-KBPBESRZSA-N 2 2 300.805 3.189 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236238973 1099491978 /nfs/dbraw/zinc/49/19/78/1099491978.db2.gz HUWALZKIRRWNHY-INIZCTEOSA-N 2 2 313.445 3.283 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236238973 1099491982 /nfs/dbraw/zinc/49/19/82/1099491982.db2.gz HUWALZKIRRWNHY-INIZCTEOSA-N 2 2 313.445 3.283 20 0 DGADLP COc1cccc(CC[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236270149 1099512308 /nfs/dbraw/zinc/51/23/08/1099512308.db2.gz QRTUCYKBJZJSMH-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP COc1cccc(CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236270149 1099512318 /nfs/dbraw/zinc/51/23/18/1099512318.db2.gz QRTUCYKBJZJSMH-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP [NH3+]Cc1ccccc1-c1cccc(Cl)c1C[NH+]1CCOCC1 ZINC001236275588 1099514958 /nfs/dbraw/zinc/51/49/58/1099514958.db2.gz ARHTVBVIRGEFCY-UHFFFAOYSA-N 2 2 316.832 3.298 20 0 DGADLP COc1cccc(C2CC[NH+](C[C@H]([NH3+])Cc3ccccc3)CC2)c1 ZINC001236323226 1099537423 /nfs/dbraw/zinc/53/74/23/1099537423.db2.gz YZJYMHVKZPAUAD-HXUWFJFHSA-N 2 2 324.468 3.445 20 0 DGADLP CCC[N@H+](Cc1ccccc1C1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC001236324062 1099537535 /nfs/dbraw/zinc/53/75/35/1099537535.db2.gz NOPRQLFANFRRPX-GOSISDBHSA-N 2 2 302.462 3.155 20 0 DGADLP CCC[N@@H+](Cc1ccccc1C1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC001236324062 1099537547 /nfs/dbraw/zinc/53/75/47/1099537547.db2.gz NOPRQLFANFRRPX-GOSISDBHSA-N 2 2 302.462 3.155 20 0 DGADLP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413017 1099587552 /nfs/dbraw/zinc/58/75/52/1099587552.db2.gz MSSUZYKUFMLKGE-QLPKVWCKSA-N 2 2 302.805 3.250 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413017 1099587565 /nfs/dbraw/zinc/58/75/65/1099587565.db2.gz MSSUZYKUFMLKGE-QLPKVWCKSA-N 2 2 302.805 3.250 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)c2c1 ZINC001236419207 1099593774 /nfs/dbraw/zinc/59/37/74/1099593774.db2.gz KZAZGYFKWQVHLA-UGSOOPFHSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)c2c1 ZINC001236419207 1099593787 /nfs/dbraw/zinc/59/37/87/1099593787.db2.gz KZAZGYFKWQVHLA-UGSOOPFHSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)c2c1 ZINC001236419200 1099594051 /nfs/dbraw/zinc/59/40/51/1099594051.db2.gz KZAZGYFKWQVHLA-ACJLOTCBSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)c2c1 ZINC001236419200 1099594059 /nfs/dbraw/zinc/59/40/59/1099594059.db2.gz KZAZGYFKWQVHLA-ACJLOTCBSA-N 2 2 314.429 3.169 20 0 DGADLP COCCCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468395 1099627855 /nfs/dbraw/zinc/62/78/55/1099627855.db2.gz LVKCYUPSKXUNEE-GOSISDBHSA-N 2 2 320.477 3.064 20 0 DGADLP COCCCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468395 1099627860 /nfs/dbraw/zinc/62/78/60/1099627860.db2.gz LVKCYUPSKXUNEE-GOSISDBHSA-N 2 2 320.477 3.064 20 0 DGADLP CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236468536 1099628182 /nfs/dbraw/zinc/62/81/82/1099628182.db2.gz HQAGWSALFCZGJB-MRXNPFEDSA-N 2 2 306.450 3.056 20 0 DGADLP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001236468536 1099628186 /nfs/dbraw/zinc/62/81/86/1099628186.db2.gz HQAGWSALFCZGJB-MRXNPFEDSA-N 2 2 306.450 3.056 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236528978 1099663670 /nfs/dbraw/zinc/66/36/70/1099663670.db2.gz LTFOIYSIJIMVCM-SFHVURJKSA-N 2 2 320.477 3.331 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236528978 1099663675 /nfs/dbraw/zinc/66/36/75/1099663675.db2.gz LTFOIYSIJIMVCM-SFHVURJKSA-N 2 2 320.477 3.331 20 0 DGADLP COc1ccc2sc(C[N@H+](C(C)C)[C@H]3CC[NH2+]C3)cc2c1 ZINC001236530848 1099666481 /nfs/dbraw/zinc/66/64/81/1099666481.db2.gz VBHYXBHNEGMATG-AWEZNQCLSA-N 2 2 304.459 3.482 20 0 DGADLP COc1ccc2sc(C[N@@H+](C(C)C)[C@H]3CC[NH2+]C3)cc2c1 ZINC001236530848 1099666488 /nfs/dbraw/zinc/66/64/88/1099666488.db2.gz VBHYXBHNEGMATG-AWEZNQCLSA-N 2 2 304.459 3.482 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)n1 ZINC001236597335 1099693568 /nfs/dbraw/zinc/69/35/68/1099693568.db2.gz CGGXLNJZWBAOEU-OAHLLOKOSA-N 2 2 317.477 3.223 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)n1 ZINC001236597335 1099693571 /nfs/dbraw/zinc/69/35/71/1099693571.db2.gz CGGXLNJZWBAOEU-OAHLLOKOSA-N 2 2 317.477 3.223 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001236617800 1099706710 /nfs/dbraw/zinc/70/67/10/1099706710.db2.gz XWGFDYYDRFTBPR-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001236617800 1099706719 /nfs/dbraw/zinc/70/67/19/1099706719.db2.gz XWGFDYYDRFTBPR-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP Cc1cccc2c(C[N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)[nH]nc21 ZINC001236650655 1099720956 /nfs/dbraw/zinc/72/09/56/1099720956.db2.gz CTEBTFYPTCJIEO-INIZCTEOSA-N 2 2 312.461 3.368 20 0 DGADLP Cc1cccc2c(C[N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)[nH]nc21 ZINC001236650655 1099720965 /nfs/dbraw/zinc/72/09/65/1099720965.db2.gz CTEBTFYPTCJIEO-INIZCTEOSA-N 2 2 312.461 3.368 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001236846227 1099832443 /nfs/dbraw/zinc/83/24/43/1099832443.db2.gz WGJBCGXOGHOVEF-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001236846227 1099832456 /nfs/dbraw/zinc/83/24/56/1099832456.db2.gz WGJBCGXOGHOVEF-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001236846227 1099832463 /nfs/dbraw/zinc/83/24/63/1099832463.db2.gz WGJBCGXOGHOVEF-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cncc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001236846227 1099832469 /nfs/dbraw/zinc/83/24/69/1099832469.db2.gz WGJBCGXOGHOVEF-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCO1 ZINC001236902489 1099865909 /nfs/dbraw/zinc/86/59/09/1099865909.db2.gz FPNYUDMRAGJGKI-CYBMUJFWSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCO1 ZINC001236902489 1099865915 /nfs/dbraw/zinc/86/59/15/1099865915.db2.gz FPNYUDMRAGJGKI-CYBMUJFWSA-N 2 2 305.809 3.137 20 0 DGADLP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236918096 1099876941 /nfs/dbraw/zinc/87/69/41/1099876941.db2.gz XERXAZCZBZZINF-INIZCTEOSA-N 2 2 318.852 3.052 20 0 DGADLP CN(CC[NH+]1CCCC1)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236915889 1099878026 /nfs/dbraw/zinc/87/80/26/1099878026.db2.gz GLSOAWNNXNVKMX-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020811 1099932699 /nfs/dbraw/zinc/93/26/99/1099932699.db2.gz YMZHORQYSOBASX-LPHOPBHVSA-N 2 2 318.505 3.339 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020811 1099932712 /nfs/dbraw/zinc/93/27/12/1099932712.db2.gz YMZHORQYSOBASX-LPHOPBHVSA-N 2 2 318.505 3.339 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237055712 1099939760 /nfs/dbraw/zinc/93/97/60/1099939760.db2.gz FEVJUBBFAXJHAV-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237055712 1099939768 /nfs/dbraw/zinc/93/97/68/1099939768.db2.gz FEVJUBBFAXJHAV-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP COc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccnc12 ZINC001237108914 1099974694 /nfs/dbraw/zinc/97/46/94/1099974694.db2.gz BISCALSCORREOP-UHFFFAOYSA-N 2 2 322.412 3.277 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237143819 1099993654 /nfs/dbraw/zinc/99/36/54/1099993654.db2.gz SHLAMDNBEVOOCG-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237143819 1099993665 /nfs/dbraw/zinc/99/36/65/1099993665.db2.gz SHLAMDNBEVOOCG-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP c1nc2cccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2s1 ZINC001237157986 1100006773 /nfs/dbraw/zinc/00/67/73/1100006773.db2.gz WRORGPIVLUEMSL-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2s1 ZINC001237157986 1100006783 /nfs/dbraw/zinc/00/67/83/1100006783.db2.gz WRORGPIVLUEMSL-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP C[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCC[NH2+]1 ZINC001237265065 1100052026 /nfs/dbraw/zinc/05/20/26/1100052026.db2.gz LKLYHHRVFUNSPX-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCC[NH2+]1 ZINC001237265065 1100052035 /nfs/dbraw/zinc/05/20/35/1100052035.db2.gz LKLYHHRVFUNSPX-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282110 1100058156 /nfs/dbraw/zinc/05/81/56/1100058156.db2.gz LEIORGOOFWNXAU-GASCZTMLSA-N 2 2 324.415 3.406 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282110 1100058164 /nfs/dbraw/zinc/05/81/64/1100058164.db2.gz LEIORGOOFWNXAU-GASCZTMLSA-N 2 2 324.415 3.406 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282110 1100058172 /nfs/dbraw/zinc/05/81/72/1100058172.db2.gz LEIORGOOFWNXAU-GASCZTMLSA-N 2 2 324.415 3.406 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282110 1100058184 /nfs/dbraw/zinc/05/81/84/1100058184.db2.gz LEIORGOOFWNXAU-GASCZTMLSA-N 2 2 324.415 3.406 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)F)c(OC)c1 ZINC001237283755 1100058658 /nfs/dbraw/zinc/05/86/58/1100058658.db2.gz VQWUHEYAQZKNIW-UHFFFAOYSA-N 2 2 309.360 3.351 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)F)c(OC)c1 ZINC001237283755 1100058662 /nfs/dbraw/zinc/05/86/62/1100058662.db2.gz VQWUHEYAQZKNIW-UHFFFAOYSA-N 2 2 309.360 3.351 20 0 DGADLP c1ccc(COCC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237359065 1100093422 /nfs/dbraw/zinc/09/34/22/1100093422.db2.gz MSFWQVWNBBWLRJ-UHFFFAOYSA-N 2 2 322.452 3.298 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC001237364606 1100095126 /nfs/dbraw/zinc/09/51/26/1100095126.db2.gz WJIYIIQVFQEIPL-UHFFFAOYSA-N 2 2 322.408 3.010 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418266 1100121307 /nfs/dbraw/zinc/12/13/07/1100121307.db2.gz XOOXKSAVPIIGRR-CZUORRHYSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418266 1100121312 /nfs/dbraw/zinc/12/13/12/1100121312.db2.gz XOOXKSAVPIIGRR-CZUORRHYSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1nc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)ccc1F ZINC001237819306 1100257089 /nfs/dbraw/zinc/25/70/89/1100257089.db2.gz JAHVZQIDRWMEPE-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)ccc1F ZINC001237819306 1100257095 /nfs/dbraw/zinc/25/70/95/1100257095.db2.gz JAHVZQIDRWMEPE-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccc1F ZINC001237819306 1100257104 /nfs/dbraw/zinc/25/71/04/1100257104.db2.gz JAHVZQIDRWMEPE-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccc1F ZINC001237819306 1100257107 /nfs/dbraw/zinc/25/71/07/1100257107.db2.gz JAHVZQIDRWMEPE-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP CC(C)[N@H+](Cc1cccc(-c2ccccn2)n1)C1CC[NH+](C)CC1 ZINC001237837913 1100265923 /nfs/dbraw/zinc/26/59/23/1100265923.db2.gz WJMFUWPZNXRYOX-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(-c2ccccn2)n1)C1CC[NH+](C)CC1 ZINC001237837913 1100265931 /nfs/dbraw/zinc/26/59/31/1100265931.db2.gz WJMFUWPZNXRYOX-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CC[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237884636 1100282050 /nfs/dbraw/zinc/28/20/50/1100282050.db2.gz CUHLIGXXAYEKTQ-KRWDZBQOSA-N 2 2 300.446 3.299 20 0 DGADLP CC[C@H]1COCC[N@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237884636 1100282056 /nfs/dbraw/zinc/28/20/56/1100282056.db2.gz CUHLIGXXAYEKTQ-KRWDZBQOSA-N 2 2 300.446 3.299 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652124 1100314846 /nfs/dbraw/zinc/31/48/46/1100314846.db2.gz WDUKSDHJANIPOK-OKZBNKHCSA-N 2 2 324.509 3.018 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652124 1100314855 /nfs/dbraw/zinc/31/48/55/1100314855.db2.gz WDUKSDHJANIPOK-OKZBNKHCSA-N 2 2 324.509 3.018 20 0 DGADLP CCOc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1C ZINC001238069270 1100350098 /nfs/dbraw/zinc/35/00/98/1100350098.db2.gz KIAPEMPFCRQYLZ-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238117181 1100368226 /nfs/dbraw/zinc/36/82/26/1100368226.db2.gz XJDROTTZYZHALD-INIZCTEOSA-N 2 2 305.381 3.039 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238117181 1100368238 /nfs/dbraw/zinc/36/82/38/1100368238.db2.gz XJDROTTZYZHALD-INIZCTEOSA-N 2 2 305.381 3.039 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238195833 1100388271 /nfs/dbraw/zinc/38/82/71/1100388271.db2.gz IHXRZQQRSYEMFP-SFHVURJKSA-N 2 2 309.413 3.316 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238195833 1100388278 /nfs/dbraw/zinc/38/82/78/1100388278.db2.gz IHXRZQQRSYEMFP-SFHVURJKSA-N 2 2 309.413 3.316 20 0 DGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cnc1OC(C)C ZINC001238378226 1100429739 /nfs/dbraw/zinc/42/97/39/1100429739.db2.gz ONUAHKVPIOMEIA-UHFFFAOYSA-N 2 2 319.493 3.482 20 0 DGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cnc1OC(C)C ZINC001238378226 1100429741 /nfs/dbraw/zinc/42/97/41/1100429741.db2.gz ONUAHKVPIOMEIA-UHFFFAOYSA-N 2 2 319.493 3.482 20 0 DGADLP CCC[N@H+](CC(=O)OC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001193484344 1100751007 /nfs/dbraw/zinc/75/10/07/1100751007.db2.gz CQDLWPCODHWPRJ-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP CCC[N@@H+](CC(=O)OC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001193484344 1100751013 /nfs/dbraw/zinc/75/10/13/1100751013.db2.gz CQDLWPCODHWPRJ-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccnc3ccccc32)C1 ZINC001239853557 1100775883 /nfs/dbraw/zinc/77/58/83/1100775883.db2.gz UNIZSVJKJUZFFA-INIZCTEOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccnc3ccccc32)C1 ZINC001239853557 1100775886 /nfs/dbraw/zinc/77/58/86/1100775886.db2.gz UNIZSVJKJUZFFA-INIZCTEOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccnc4ccccc43)c2)C1 ZINC001239853203 1100776074 /nfs/dbraw/zinc/77/60/74/1100776074.db2.gz OVPYOUMEEAEABK-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccnc4ccccc43)c2)C1 ZINC001239853203 1100776077 /nfs/dbraw/zinc/77/60/77/1100776077.db2.gz OVPYOUMEEAEABK-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cncc4ccccc43)ccn12 ZINC001239946415 1100807776 /nfs/dbraw/zinc/80/77/76/1100807776.db2.gz XAVCXNDTYFDOCR-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP Fc1cc2[nH]ccc2c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001240033448 1100840684 /nfs/dbraw/zinc/84/06/84/1100840684.db2.gz WFKDOMBJWRCPCO-UHFFFAOYSA-N 2 2 306.344 3.309 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(-n4cccn4)c3)c2)C1 ZINC001240250697 1100910656 /nfs/dbraw/zinc/91/06/56/1100910656.db2.gz PNZIQTCKBCYXIV-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(-n4cccn4)c3)c2)C1 ZINC001240250697 1100910664 /nfs/dbraw/zinc/91/06/64/1100910664.db2.gz PNZIQTCKBCYXIV-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(-n3cccn3)c2)C1 ZINC001240249961 1100910865 /nfs/dbraw/zinc/91/08/65/1100910865.db2.gz DAPTVHUGMRKNOX-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(-n3cccn3)c2)C1 ZINC001240249961 1100910867 /nfs/dbraw/zinc/91/08/67/1100910867.db2.gz DAPTVHUGMRKNOX-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(N4CCCC4)c3)cc2)C1 ZINC001240536550 1101038555 /nfs/dbraw/zinc/03/85/55/1101038555.db2.gz FCAWPFWTKUNCFY-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(N4CCCC4)c3)cc2)C1 ZINC001240536550 1101038564 /nfs/dbraw/zinc/03/85/64/1101038564.db2.gz FCAWPFWTKUNCFY-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cncc(C(F)(F)F)c3)c2)C1 ZINC001240794166 1101141660 /nfs/dbraw/zinc/14/16/60/1101141660.db2.gz RPQOLMLPPWKDFB-MRXNPFEDSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cncc(C(F)(F)F)c3)c2)C1 ZINC001240794166 1101141662 /nfs/dbraw/zinc/14/16/62/1101141662.db2.gz RPQOLMLPPWKDFB-MRXNPFEDSA-N 2 2 321.346 3.300 20 0 DGADLP CCOc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241028204 1101225786 /nfs/dbraw/zinc/22/57/86/1101225786.db2.gz NKXWYTYMIRVJSO-SFHVURJKSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241028204 1101225792 /nfs/dbraw/zinc/22/57/92/1101225792.db2.gz NKXWYTYMIRVJSO-SFHVURJKSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+]C1CC[NH+](Cc2ccccc2-c2c(F)ccc(O)c2F)CC1 ZINC001241293995 1101356620 /nfs/dbraw/zinc/35/66/20/1101356620.db2.gz HLRHQZVSNMCZAZ-UHFFFAOYSA-N 2 2 318.367 3.261 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4ncccc4c3)c2)C1 ZINC001241401695 1101433718 /nfs/dbraw/zinc/43/37/18/1101433718.db2.gz ZOVFTEBKRSENIV-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4ncccc4c3)c2)C1 ZINC001241401695 1101433725 /nfs/dbraw/zinc/43/37/25/1101433725.db2.gz ZOVFTEBKRSENIV-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc2c[nH]nc21 ZINC001241516472 1101528449 /nfs/dbraw/zinc/52/84/49/1101528449.db2.gz ISIRHDALOKBOGH-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc2c[nH]nc21 ZINC001241516472 1101528460 /nfs/dbraw/zinc/52/84/60/1101528460.db2.gz ISIRHDALOKBOGH-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001241743618 1101675582 /nfs/dbraw/zinc/67/55/82/1101675582.db2.gz PCQDBAHHGFROSB-UHFFFAOYSA-N 2 2 306.413 3.143 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]C[C@H]2CCCOC2)c2ccccc2)CC1 ZINC001199640771 1102174881 /nfs/dbraw/zinc/17/48/81/1102174881.db2.gz XGIYCKBLIYHKNM-UYAOXDASSA-N 2 2 316.489 3.476 20 0 DGADLP Cc1[nH+]cn(-c2ccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)nn2)c1C ZINC001242690298 1102285415 /nfs/dbraw/zinc/28/54/15/1102285415.db2.gz AZFPOJYDXSCYQD-QGZVFWFLSA-N 2 2 323.444 3.311 20 0 DGADLP C[NH+]1CCC(n2cc(-c3ccccc3Cn3cc[nH+]c3)cn2)CC1 ZINC001242729045 1102313112 /nfs/dbraw/zinc/31/31/12/1102313112.db2.gz HJLUVZPDEDSNOJ-UHFFFAOYSA-N 2 2 321.428 3.062 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903575 1102452486 /nfs/dbraw/zinc/45/24/86/1102452486.db2.gz QDDWEMJTSJDTOI-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001205903575 1102452492 /nfs/dbraw/zinc/45/24/92/1102452492.db2.gz QDDWEMJTSJDTOI-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccsc1Br ZINC001205912757 1102497357 /nfs/dbraw/zinc/49/73/57/1102497357.db2.gz CANXUOHMNWBVTC-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccsc1Br ZINC001205912757 1102497360 /nfs/dbraw/zinc/49/73/60/1102497360.db2.gz CANXUOHMNWBVTC-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP CSc1ncc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C ZINC001243158877 1102562187 /nfs/dbraw/zinc/56/21/87/1102562187.db2.gz SPYTXXHWCUOAGD-QGZVFWFLSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C ZINC001243158877 1102562193 /nfs/dbraw/zinc/56/21/93/1102562193.db2.gz SPYTXXHWCUOAGD-QGZVFWFLSA-N 2 2 313.470 3.312 20 0 DGADLP CCC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543407 1102631271 /nfs/dbraw/zinc/63/12/71/1102631271.db2.gz GGMHRXYDUSKYKX-QRQLOZEOSA-N 2 2 301.478 3.272 20 0 DGADLP CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543407 1102631274 /nfs/dbraw/zinc/63/12/74/1102631274.db2.gz GGMHRXYDUSKYKX-QRQLOZEOSA-N 2 2 301.478 3.272 20 0 DGADLP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543407 1102631279 /nfs/dbraw/zinc/63/12/79/1102631279.db2.gz GGMHRXYDUSKYKX-QRQLOZEOSA-N 2 2 301.478 3.272 20 0 DGADLP CCC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543407 1102631282 /nfs/dbraw/zinc/63/12/82/1102631282.db2.gz GGMHRXYDUSKYKX-QRQLOZEOSA-N 2 2 301.478 3.272 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201545693 1102633361 /nfs/dbraw/zinc/63/33/61/1102633361.db2.gz ZJFLCPMAIBCGIV-INIZCTEOSA-N 2 2 304.482 3.121 20 0 DGADLP CCC[C@H](C)C[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201545693 1102633370 /nfs/dbraw/zinc/63/33/70/1102633370.db2.gz ZJFLCPMAIBCGIV-INIZCTEOSA-N 2 2 304.482 3.121 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC001201618813 1102673008 /nfs/dbraw/zinc/67/30/08/1102673008.db2.gz WWESRHKLJDXIGX-CYBMUJFWSA-N 2 2 302.447 3.080 20 0 DGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077555 1102838103 /nfs/dbraw/zinc/83/81/03/1102838103.db2.gz IZPPLQVZVXHKDL-LSDHHAIUSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077555 1102838118 /nfs/dbraw/zinc/83/81/18/1102838118.db2.gz IZPPLQVZVXHKDL-LSDHHAIUSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202077555 1102838135 /nfs/dbraw/zinc/83/81/35/1102838135.db2.gz IZPPLQVZVXHKDL-LSDHHAIUSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202077555 1102838153 /nfs/dbraw/zinc/83/81/53/1102838153.db2.gz IZPPLQVZVXHKDL-LSDHHAIUSA-N 2 2 307.507 3.476 20 0 DGADLP c1cc(-c2cc[nH+]c(N3CCOCC3)c2)cc(C2CC[NH2+]CC2)c1 ZINC001243903023 1103041537 /nfs/dbraw/zinc/04/15/37/1103041537.db2.gz JZCKSWTXEGRQFP-UHFFFAOYSA-N 2 2 323.440 3.052 20 0 DGADLP C[N@@H+]1CC[C@@H](c2ccc(-c3cc[nH+]c(N4CCOCC4)c3)cc2)C1 ZINC001243902093 1103041961 /nfs/dbraw/zinc/04/19/61/1103041961.db2.gz VWOBQWFVFGKYRB-LJQANCHMSA-N 2 2 323.440 3.004 20 0 DGADLP C[N@H+]1CC[C@@H](c2ccc(-c3cc[nH+]c(N4CCOCC4)c3)cc2)C1 ZINC001243902093 1103041975 /nfs/dbraw/zinc/04/19/75/1103041975.db2.gz VWOBQWFVFGKYRB-LJQANCHMSA-N 2 2 323.440 3.004 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccnc(OCC3CC3)c2)C1 ZINC001243924966 1103056879 /nfs/dbraw/zinc/05/68/79/1103056879.db2.gz WEIBXOZMXXQIFM-SFHVURJKSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccnc(OCC3CC3)c2)C1 ZINC001243924966 1103056896 /nfs/dbraw/zinc/05/68/96/1103056896.db2.gz WEIBXOZMXXQIFM-SFHVURJKSA-N 2 2 323.440 3.070 20 0 DGADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(Br)cc2)c1CC[NH3+] ZINC001257554752 1103065951 /nfs/dbraw/zinc/06/59/51/1103065951.db2.gz BQEFVMHJNCLEET-NSHDSACASA-N 2 2 322.250 3.259 20 0 DGADLP Cc1nc2ccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc2o1 ZINC001243963207 1103087570 /nfs/dbraw/zinc/08/75/70/1103087570.db2.gz FAVQJYJGZGAPBO-MRXNPFEDSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1nc2ccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc2o1 ZINC001243963207 1103087581 /nfs/dbraw/zinc/08/75/81/1103087581.db2.gz FAVQJYJGZGAPBO-MRXNPFEDSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1nn(C)c2cc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)ccc12 ZINC001244232759 1103298509 /nfs/dbraw/zinc/29/85/09/1103298509.db2.gz UJYZSPIYNGWGSV-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2cc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)ccc12 ZINC001244232759 1103298519 /nfs/dbraw/zinc/29/85/19/1103298519.db2.gz UJYZSPIYNGWGSV-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP C[C@@H](CC1CC1)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001258450786 1103341361 /nfs/dbraw/zinc/34/13/61/1103341361.db2.gz WMFHTYQIWYFBRI-LBPRGKRZSA-N 2 2 313.536 3.216 20 0 DGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])Nc1ccc(C)cc1 ZINC001326905051 1103475823 /nfs/dbraw/zinc/47/58/23/1103475823.db2.gz HRBWFNAMWQTTRN-UHFFFAOYSA-N 2 2 320.400 3.021 20 0 DGADLP C[C@H](CC(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001327265216 1103606553 /nfs/dbraw/zinc/60/65/53/1103606553.db2.gz UBBPFNOAMOBZIP-MRXNPFEDSA-N 2 2 322.497 3.051 20 0 DGADLP C[C@H](CC(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001327265216 1103606563 /nfs/dbraw/zinc/60/65/63/1103606563.db2.gz UBBPFNOAMOBZIP-MRXNPFEDSA-N 2 2 322.497 3.051 20 0 DGADLP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC001327572622 1103684793 /nfs/dbraw/zinc/68/47/93/1103684793.db2.gz GZBLBTRZJGGQCD-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC001327572622 1103684800 /nfs/dbraw/zinc/68/48/00/1103684800.db2.gz GZBLBTRZJGGQCD-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1cccs1 ZINC001327787407 1103725082 /nfs/dbraw/zinc/72/50/82/1103725082.db2.gz MKGDCOFNMMACAW-SNAWJCMRSA-N 2 2 310.382 3.289 20 0 DGADLP C[NH+](C)Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1F ZINC001244863924 1103730933 /nfs/dbraw/zinc/73/09/33/1103730933.db2.gz NPUMWHBRRYOFLE-UHFFFAOYSA-N 2 2 310.376 3.194 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC001327839426 1103738713 /nfs/dbraw/zinc/73/87/13/1103738713.db2.gz HRULIIURGWUURH-GHMZBOCLSA-N 2 2 315.255 3.106 20 0 DGADLP COCc1csc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001328199092 1103871311 /nfs/dbraw/zinc/87/13/11/1103871311.db2.gz ZPPBHEPZKVSQQX-CQSZACIVSA-N 2 2 319.474 3.083 20 0 DGADLP COCc1csc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001328199092 1103871320 /nfs/dbraw/zinc/87/13/20/1103871320.db2.gz ZPPBHEPZKVSQQX-CQSZACIVSA-N 2 2 319.474 3.083 20 0 DGADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001245199186 1103905296 /nfs/dbraw/zinc/90/52/96/1103905296.db2.gz SNGYIYGNSHGWBN-IBGZPJMESA-N 2 2 319.408 3.339 20 0 DGADLP CCc1ccsc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001328355385 1103920856 /nfs/dbraw/zinc/92/08/56/1103920856.db2.gz FTFGUWZZVBXESK-UHFFFAOYSA-N 2 2 312.398 3.452 20 0 DGADLP CCCNc1cc(C)[nH+]c(-c2ccc(C3CC[NH2+]CC3)cc2)n1 ZINC001245521910 1104101366 /nfs/dbraw/zinc/10/13/66/1104101366.db2.gz HGMAZZIYMYHGRR-UHFFFAOYSA-N 2 2 310.445 3.163 20 0 DGADLP Cc1cc(-c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)c[nH+]c1N ZINC001245539398 1104111969 /nfs/dbraw/zinc/11/19/69/1104111969.db2.gz LETVZXLTRQNDSE-INIZCTEOSA-N 2 2 319.412 3.454 20 0 DGADLP COc1ccc2[nH]c(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc2c1 ZINC001245599253 1104144411 /nfs/dbraw/zinc/14/44/11/1104144411.db2.gz WYKVGWWGHFDZCE-INIZCTEOSA-N 2 2 321.424 3.377 20 0 DGADLP COc1ccc2[nH]c(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc2c1 ZINC001245599253 1104144419 /nfs/dbraw/zinc/14/44/19/1104144419.db2.gz WYKVGWWGHFDZCE-INIZCTEOSA-N 2 2 321.424 3.377 20 0 DGADLP COc1ccc2[nH]c(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc2c1 ZINC001245599258 1104144484 /nfs/dbraw/zinc/14/44/84/1104144484.db2.gz XARBHFPFMBEYEZ-QGZVFWFLSA-N 2 2 321.424 3.377 20 0 DGADLP COc1ccc2[nH]c(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc2c1 ZINC001245599258 1104144488 /nfs/dbraw/zinc/14/44/88/1104144488.db2.gz XARBHFPFMBEYEZ-QGZVFWFLSA-N 2 2 321.424 3.377 20 0 DGADLP CC[NH+](CC)C1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001329175395 1104180131 /nfs/dbraw/zinc/18/01/31/1104180131.db2.gz ROAGCJCGFCYVIS-UHFFFAOYSA-N 2 2 323.444 3.193 20 0 DGADLP Clc1cccc(Cl)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001245676397 1104190027 /nfs/dbraw/zinc/19/00/27/1104190027.db2.gz ULCHCRYHVYGPRB-UHFFFAOYSA-N 2 2 308.212 3.465 20 0 DGADLP CCc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1OC ZINC001245791753 1104239834 /nfs/dbraw/zinc/23/98/34/1104239834.db2.gz HPHOJXIKQMTQMU-IBGZPJMESA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1OC ZINC001245791753 1104239838 /nfs/dbraw/zinc/23/98/38/1104239838.db2.gz HPHOJXIKQMTQMU-IBGZPJMESA-N 2 2 310.441 3.458 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001329503958 1104289690 /nfs/dbraw/zinc/28/96/90/1104289690.db2.gz WLQJKXCCZXCVFM-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001329503958 1104289695 /nfs/dbraw/zinc/28/96/95/1104289695.db2.gz WLQJKXCCZXCVFM-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001245908943 1104302339 /nfs/dbraw/zinc/30/23/39/1104302339.db2.gz DGAWPZDUNVOIHO-IBGZPJMESA-N 3 2 309.457 3.080 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001245908943 1104302350 /nfs/dbraw/zinc/30/23/50/1104302350.db2.gz DGAWPZDUNVOIHO-IBGZPJMESA-N 3 2 309.457 3.080 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001329666112 1104361937 /nfs/dbraw/zinc/36/19/37/1104361937.db2.gz NEGCPUMVLOQQJD-HIFRSBDPSA-N 2 2 322.522 3.014 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001329666112 1104361949 /nfs/dbraw/zinc/36/19/49/1104361949.db2.gz NEGCPUMVLOQQJD-HIFRSBDPSA-N 2 2 322.522 3.014 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246076014 1104371948 /nfs/dbraw/zinc/37/19/48/1104371948.db2.gz MSNYIBANOOPJCH-IRXDYDNUSA-N 2 2 312.413 3.026 20 0 DGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246108839 1104390956 /nfs/dbraw/zinc/39/09/56/1104390956.db2.gz JNHORPFXVKDYOB-AGIUHOORSA-N 2 2 317.235 3.140 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@]1(F)CC[NH2+]C1 ZINC001246149231 1104407348 /nfs/dbraw/zinc/40/73/48/1104407348.db2.gz UDKPMLMPELUDFM-SMDDNHRTSA-N 2 2 302.846 3.112 20 0 DGADLP C([NH2+][C@@H]1CCCC2(CCCCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152797 1104408590 /nfs/dbraw/zinc/40/85/90/1104408590.db2.gz ZVWJJDLYHKFRCX-QZTJIDSGSA-N 3 2 319.537 3.343 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2F)CC[NH2+]1 ZINC001246158423 1104409662 /nfs/dbraw/zinc/40/96/62/1104409662.db2.gz LJSNRTKEFLCQLD-YPMHNXCESA-N 2 2 300.368 3.360 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246184405 1104427686 /nfs/dbraw/zinc/42/76/86/1104427686.db2.gz KQYRVBTXMBTGLB-PMACEKPBSA-N 3 2 317.521 3.061 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246184405 1104427689 /nfs/dbraw/zinc/42/76/89/1104427689.db2.gz KQYRVBTXMBTGLB-PMACEKPBSA-N 3 2 317.521 3.061 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246197054 1104434159 /nfs/dbraw/zinc/43/41/59/1104434159.db2.gz OMZYZKPPVSWQKE-OLZOCXBDSA-N 2 2 304.331 3.465 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246197053 1104434338 /nfs/dbraw/zinc/43/43/38/1104434338.db2.gz OMZYZKPPVSWQKE-CHWSQXEVSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cc(F)ccc2Br)C[C@H](C)[NH2+]1 ZINC001246207253 1104437223 /nfs/dbraw/zinc/43/72/23/1104437223.db2.gz CUCQDSBKWNUBEM-UWVGGRQHSA-N 2 2 315.230 3.207 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246214221 1104439009 /nfs/dbraw/zinc/43/90/09/1104439009.db2.gz DRQOKOQRJODXLU-TZTCFGBESA-N 2 2 320.786 3.229 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246251478 1104459676 /nfs/dbraw/zinc/45/96/76/1104459676.db2.gz PJQDFZQBZMBOLU-APWZRJJASA-N 2 2 310.441 3.463 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279458 1104472601 /nfs/dbraw/zinc/47/26/01/1104472601.db2.gz MNVUVFAOKDOMKG-QAPCUYQASA-N 2 2 300.833 3.487 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C[NH2+]1 ZINC001246285150 1104473582 /nfs/dbraw/zinc/47/35/82/1104473582.db2.gz GIMMDZKJDWSAIF-KORVSZGISA-N 2 2 308.425 3.255 20 0 DGADLP C[NH2+]CC[C@H](C)[NH2+]Cc1nc2ccccc2n1Cc1ccccc1 ZINC001246287648 1104475607 /nfs/dbraw/zinc/47/56/07/1104475607.db2.gz KJXGOIUVQOWOLQ-INIZCTEOSA-N 2 2 322.456 3.172 20 0 DGADLP CSC1CC([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000718020584 1104480375 /nfs/dbraw/zinc/48/03/75/1104480375.db2.gz BJKCHZQALXXFSN-ABHNRTSZSA-N 2 2 304.503 3.381 20 0 DGADLP CSC1CC([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000718020584 1104480379 /nfs/dbraw/zinc/48/03/79/1104480379.db2.gz BJKCHZQALXXFSN-ABHNRTSZSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1Br ZINC001246379102 1104517169 /nfs/dbraw/zinc/51/71/69/1104517169.db2.gz LILIOKSAFHCDTN-NHCYSSNCSA-N 2 2 315.230 3.379 20 0 DGADLP Fc1cccc([C@@H](CC2CCOCC2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246404137 1104529844 /nfs/dbraw/zinc/52/98/44/1104529844.db2.gz IMKJCBRXEUWNMN-QZTJIDSGSA-N 2 2 306.425 3.025 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CCOCC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246454706 1104545464 /nfs/dbraw/zinc/54/54/64/1104545464.db2.gz FPZCOUSPAXRKCC-ZMYBRWDISA-N 2 2 320.452 3.414 20 0 DGADLP COc1ccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC(F)(F)CC2)cc1 ZINC001246454702 1104546520 /nfs/dbraw/zinc/54/65/20/1104546520.db2.gz FPMPFZYHRLDYPH-OAHLLOKOSA-N 2 2 324.415 3.441 20 0 DGADLP COc1ccc(C2([NH2+][C@H]3C[NH2+][C@@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246460626 1104548266 /nfs/dbraw/zinc/54/82/66/1104548266.db2.gz WAPUQXDHCLUSDH-DZGCQCFKSA-N 2 2 324.415 3.440 20 0 DGADLP c1cc(CCC[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)ccn1 ZINC001274973403 1104562905 /nfs/dbraw/zinc/56/29/05/1104562905.db2.gz WVSDVUPERIXXJW-UHFFFAOYSA-N 2 2 313.489 3.355 20 0 DGADLP c1cc(CCC[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)ccn1 ZINC001274973403 1104562912 /nfs/dbraw/zinc/56/29/12/1104562912.db2.gz WVSDVUPERIXXJW-UHFFFAOYSA-N 2 2 313.489 3.355 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC001246511738 1104570841 /nfs/dbraw/zinc/57/08/41/1104570841.db2.gz CVQKZKLFTALWGU-KAOXEZKKSA-N 2 2 309.251 3.035 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508849 1104571205 /nfs/dbraw/zinc/57/12/05/1104571205.db2.gz FIXSGKQPXBZJLY-QUCCMNQESA-N 2 2 310.441 3.151 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H](C)Cc2ccccc2F)c1 ZINC001246512386 1104572008 /nfs/dbraw/zinc/57/20/08/1104572008.db2.gz SMGWUPBZYHQVLK-SCLBCKFNSA-N 2 2 302.393 3.055 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2COc3c2cccc3OC)C[C@H](CC)[NH2+]1 ZINC001246516200 1104574410 /nfs/dbraw/zinc/57/44/10/1104574410.db2.gz UVYPGIQJRVWRCM-FQLMCAECSA-N 2 2 304.434 3.028 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528014 1104578996 /nfs/dbraw/zinc/57/89/96/1104578996.db2.gz NFOUYYJTGFGOJF-YRPNKDGESA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528014 1104579004 /nfs/dbraw/zinc/57/90/04/1104579004.db2.gz NFOUYYJTGFGOJF-YRPNKDGESA-N 2 2 315.505 3.284 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC001246528817 1104580186 /nfs/dbraw/zinc/58/01/86/1104580186.db2.gz YSXXKZUVNGQFMJ-KBRIMQKVSA-N 2 2 318.461 3.277 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC001246528816 1104580289 /nfs/dbraw/zinc/58/02/89/1104580289.db2.gz YSXXKZUVNGQFMJ-IAOVAPTHSA-N 2 2 318.461 3.277 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246579992 1104603602 /nfs/dbraw/zinc/60/36/02/1104603602.db2.gz DUVHETYKGRPDKF-FCGDIQPGSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246579992 1104603606 /nfs/dbraw/zinc/60/36/06/1104603606.db2.gz DUVHETYKGRPDKF-FCGDIQPGSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H]1CC([N@@H+]2CCOC[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246579998 1104604795 /nfs/dbraw/zinc/60/47/95/1104604795.db2.gz DUVHETYKGRPDKF-JENIJYKNSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H]1CC([N@H+]2CCOC[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246579998 1104604803 /nfs/dbraw/zinc/60/48/03/1104604803.db2.gz DUVHETYKGRPDKF-JENIJYKNSA-N 2 2 302.462 3.369 20 0 DGADLP CCC[C@H](C)C[NH+]1CCC2(C[NH+](Cc3nccn3CC)C2)CC1 ZINC001275074099 1104608892 /nfs/dbraw/zinc/60/88/92/1104608892.db2.gz PLKKVBDCJZLZLJ-KRWDZBQOSA-N 2 2 318.509 3.237 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246606257 1104622497 /nfs/dbraw/zinc/62/24/97/1104622497.db2.gz DJGXDZOPYOWIRK-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246606257 1104622500 /nfs/dbraw/zinc/62/25/00/1104622500.db2.gz DJGXDZOPYOWIRK-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP CSCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109783 1104630946 /nfs/dbraw/zinc/63/09/46/1104630946.db2.gz ONUDYANNVULIAY-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP CSCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109783 1104630950 /nfs/dbraw/zinc/63/09/50/1104630950.db2.gz ONUDYANNVULIAY-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP CSCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109783 1104630956 /nfs/dbraw/zinc/63/09/56/1104630956.db2.gz ONUDYANNVULIAY-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP CSCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109783 1104630961 /nfs/dbraw/zinc/63/09/61/1104630961.db2.gz ONUDYANNVULIAY-GOSISDBHSA-N 2 2 321.534 3.446 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620897 1104631411 /nfs/dbraw/zinc/63/14/11/1104631411.db2.gz OMXSVSGYXBPFGQ-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)C2 ZINC001246620897 1104631414 /nfs/dbraw/zinc/63/14/14/1104631414.db2.gz OMXSVSGYXBPFGQ-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624912 1104633235 /nfs/dbraw/zinc/63/32/35/1104633235.db2.gz DDRRRSHVNZZDLT-RCBQFDQVSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246624912 1104633238 /nfs/dbraw/zinc/63/32/38/1104633238.db2.gz DDRRRSHVNZZDLT-RCBQFDQVSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627291 1104634825 /nfs/dbraw/zinc/63/48/25/1104634825.db2.gz IWZDHBHJHQFHCE-SUMWQHHRSA-N 2 2 310.844 3.486 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627291 1104634826 /nfs/dbraw/zinc/63/48/26/1104634826.db2.gz IWZDHBHJHQFHCE-SUMWQHHRSA-N 2 2 310.844 3.486 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246641004 1104642087 /nfs/dbraw/zinc/64/20/87/1104642087.db2.gz UGQVYAWVDGFPPM-DUVNUKRYSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246641004 1104642091 /nfs/dbraw/zinc/64/20/91/1104642091.db2.gz UGQVYAWVDGFPPM-DUVNUKRYSA-N 2 2 312.379 3.320 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649192 1104645482 /nfs/dbraw/zinc/64/54/82/1104645482.db2.gz AUEMUBVGAHMVOM-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246649192 1104645487 /nfs/dbraw/zinc/64/54/87/1104645487.db2.gz AUEMUBVGAHMVOM-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246653447 1104649078 /nfs/dbraw/zinc/64/90/78/1104649078.db2.gz SZYPPPORYGSJET-MSOLQXFVSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246653447 1104649082 /nfs/dbraw/zinc/64/90/82/1104649082.db2.gz SZYPPPORYGSJET-MSOLQXFVSA-N 2 2 304.865 3.415 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660445 1104653306 /nfs/dbraw/zinc/65/33/06/1104653306.db2.gz DDRRRSHVNZZDLT-WQVCFCJDSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660445 1104653307 /nfs/dbraw/zinc/65/33/07/1104653307.db2.gz DDRRRSHVNZZDLT-WQVCFCJDSA-N 2 2 323.278 3.206 20 0 DGADLP Fc1cccc2c1C[C@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246660331 1104653384 /nfs/dbraw/zinc/65/33/84/1104653384.db2.gz BJSMQHGUAZDSDW-LKUPVBHCSA-N 2 2 322.427 3.254 20 0 DGADLP Fc1cccc2c1C[C@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246660331 1104653386 /nfs/dbraw/zinc/65/33/86/1104653386.db2.gz BJSMQHGUAZDSDW-LKUPVBHCSA-N 2 2 322.427 3.254 20 0 DGADLP Oc1cnccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275169258 1104665333 /nfs/dbraw/zinc/66/53/33/1104665333.db2.gz SWXWJVCKZXVUTF-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cnccc1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275169258 1104665334 /nfs/dbraw/zinc/66/53/34/1104665334.db2.gz SWXWJVCKZXVUTF-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cnccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275169258 1104665336 /nfs/dbraw/zinc/66/53/36/1104665336.db2.gz SWXWJVCKZXVUTF-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cnccc1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275169258 1104665337 /nfs/dbraw/zinc/66/53/37/1104665337.db2.gz SWXWJVCKZXVUTF-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@@H+]([C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712429 1104666127 /nfs/dbraw/zinc/66/61/27/1104666127.db2.gz AEXVWOQZCZTFDI-ZCNNSNEGSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+]([C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712429 1104666132 /nfs/dbraw/zinc/66/61/32/1104666132.db2.gz AEXVWOQZCZTFDI-ZCNNSNEGSA-N 2 2 314.473 3.167 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784219 1104673939 /nfs/dbraw/zinc/67/39/39/1104673939.db2.gz WFPAYPNHIFKRGL-CABCVRRESA-N 2 2 310.869 3.490 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784219 1104673942 /nfs/dbraw/zinc/67/39/42/1104673942.db2.gz WFPAYPNHIFKRGL-CABCVRRESA-N 2 2 310.869 3.490 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785637 1104674016 /nfs/dbraw/zinc/67/40/16/1104674016.db2.gz BXDJMMDJLJAJEU-SJORKVTESA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785637 1104674019 /nfs/dbraw/zinc/67/40/19/1104674019.db2.gz BXDJMMDJLJAJEU-SJORKVTESA-N 2 2 308.853 3.073 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275212642 1104678014 /nfs/dbraw/zinc/67/80/14/1104678014.db2.gz USQMKZZRSNNXGG-SFHVURJKSA-N 2 2 302.466 3.030 20 0 DGADLP c1n[nH]cc1C[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275212642 1104678021 /nfs/dbraw/zinc/67/80/21/1104678021.db2.gz USQMKZZRSNNXGG-SFHVURJKSA-N 2 2 302.466 3.030 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275212642 1104678027 /nfs/dbraw/zinc/67/80/27/1104678027.db2.gz USQMKZZRSNNXGG-SFHVURJKSA-N 2 2 302.466 3.030 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275212642 1104678035 /nfs/dbraw/zinc/67/80/35/1104678035.db2.gz USQMKZZRSNNXGG-SFHVURJKSA-N 2 2 302.466 3.030 20 0 DGADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC001275235593 1104685600 /nfs/dbraw/zinc/68/56/00/1104685600.db2.gz DIXPQZQJZLMQAI-GOOCMWNKSA-N 2 2 317.458 3.330 20 0 DGADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC001275235593 1104685606 /nfs/dbraw/zinc/68/56/06/1104685606.db2.gz DIXPQZQJZLMQAI-GOOCMWNKSA-N 2 2 317.458 3.330 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246839749 1104699672 /nfs/dbraw/zinc/69/96/72/1104699672.db2.gz KDBTVUQEMGBOSU-SWLSCSKDSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246839749 1104699675 /nfs/dbraw/zinc/69/96/75/1104699675.db2.gz KDBTVUQEMGBOSU-SWLSCSKDSA-N 2 2 311.267 3.412 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CCO2)cc1 ZINC001246837697 1104699752 /nfs/dbraw/zinc/69/97/52/1104699752.db2.gz FMBRPFGCYGICGR-UFYCRDLUSA-N 2 2 316.489 3.319 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CCO2)cc1 ZINC001246837697 1104699757 /nfs/dbraw/zinc/69/97/57/1104699757.db2.gz FMBRPFGCYGICGR-UFYCRDLUSA-N 2 2 316.489 3.319 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CCO2)cc1 ZINC001246837696 1104700016 /nfs/dbraw/zinc/70/00/16/1104700016.db2.gz FMBRPFGCYGICGR-AQNXPRMDSA-N 2 2 316.489 3.319 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CCO2)cc1 ZINC001246837696 1104700022 /nfs/dbraw/zinc/70/00/22/1104700022.db2.gz FMBRPFGCYGICGR-AQNXPRMDSA-N 2 2 316.489 3.319 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)C[C@@H](C)[NH2+]1 ZINC001246843436 1104702710 /nfs/dbraw/zinc/70/27/10/1104702710.db2.gz JWJLOZFETRVCQM-LBTNJELSSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1CC([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)C[C@@H](C)[NH2+]1 ZINC001246843436 1104702718 /nfs/dbraw/zinc/70/27/18/1104702718.db2.gz JWJLOZFETRVCQM-LBTNJELSSA-N 2 2 322.880 3.416 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1)[C@H]1CCCC[NH2+]C1 ZINC001246842661 1104703892 /nfs/dbraw/zinc/70/38/92/1104703892.db2.gz ZLPKMMWQWRSEJJ-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCCC[NH2+]C1 ZINC001246842661 1104703896 /nfs/dbraw/zinc/70/38/96/1104703896.db2.gz ZLPKMMWQWRSEJJ-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP C[C@H]1CC[C@H]([NH+]2CCC(Cc3ccc(F)cc3F)CC2)C[NH2+]1 ZINC001246869928 1104715259 /nfs/dbraw/zinc/71/52/59/1104715259.db2.gz JECGERJGLLYRNO-GUYCJALGSA-N 2 2 308.416 3.360 20 0 DGADLP CC[C@H]1CC([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246872926 1104716949 /nfs/dbraw/zinc/71/69/49/1104716949.db2.gz RNLMGTGJVMFZGR-BJLQDIEVSA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@H]1CC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246872926 1104716956 /nfs/dbraw/zinc/71/69/56/1104716956.db2.gz RNLMGTGJVMFZGR-BJLQDIEVSA-N 2 2 316.489 3.239 20 0 DGADLP Clc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246948011 1104748616 /nfs/dbraw/zinc/74/86/16/1104748616.db2.gz ZNKXFNCIAZSPJH-QGZVFWFLSA-N 3 2 321.896 3.036 20 0 DGADLP Clc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246948011 1104748620 /nfs/dbraw/zinc/74/86/20/1104748620.db2.gz ZNKXFNCIAZSPJH-QGZVFWFLSA-N 3 2 321.896 3.036 20 0 DGADLP CC(C)[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001246953729 1104751506 /nfs/dbraw/zinc/75/15/06/1104751506.db2.gz GYADKSNDPFZKAG-CVEARBPZSA-N 2 2 308.853 3.106 20 0 DGADLP CC(C)[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001246953729 1104751509 /nfs/dbraw/zinc/75/15/09/1104751509.db2.gz GYADKSNDPFZKAG-CVEARBPZSA-N 2 2 308.853 3.106 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975497 1104758759 /nfs/dbraw/zinc/75/87/59/1104758759.db2.gz UHTUAUZMERMLCO-XMTFNYHQSA-N 3 2 317.477 3.152 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975497 1104758766 /nfs/dbraw/zinc/75/87/66/1104758766.db2.gz UHTUAUZMERMLCO-XMTFNYHQSA-N 3 2 317.477 3.152 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988466 1104764853 /nfs/dbraw/zinc/76/48/53/1104764853.db2.gz HLQBQVVAEPMHKK-VQIMIIECSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988466 1104764855 /nfs/dbraw/zinc/76/48/55/1104764855.db2.gz HLQBQVVAEPMHKK-VQIMIIECSA-N 3 2 321.553 3.349 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470948 1104769278 /nfs/dbraw/zinc/76/92/78/1104769278.db2.gz HNYGUQLHORXXRT-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470948 1104769283 /nfs/dbraw/zinc/76/92/83/1104769283.db2.gz HNYGUQLHORXXRT-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470948 1104769285 /nfs/dbraw/zinc/76/92/85/1104769285.db2.gz HNYGUQLHORXXRT-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001275470948 1104769289 /nfs/dbraw/zinc/76/92/89/1104769289.db2.gz HNYGUQLHORXXRT-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[C@H](Cc1ccco1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246999926 1104770164 /nfs/dbraw/zinc/77/01/64/1104770164.db2.gz CRGNYCIFXLMERJ-MRXNPFEDSA-N 2 2 310.441 3.348 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc(OC)c1 ZINC001275815377 1104918887 /nfs/dbraw/zinc/91/88/87/1104918887.db2.gz UUGCMMFVILKTFJ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc(OC)c1 ZINC001275815377 1104918888 /nfs/dbraw/zinc/91/88/88/1104918888.db2.gz UUGCMMFVILKTFJ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc(OC)c1 ZINC001275815377 1104918890 /nfs/dbraw/zinc/91/88/90/1104918890.db2.gz UUGCMMFVILKTFJ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc(OC)c1 ZINC001275815377 1104918891 /nfs/dbraw/zinc/91/88/91/1104918891.db2.gz UUGCMMFVILKTFJ-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCCC[C@H]([NH2+]C)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247629123 1104942382 /nfs/dbraw/zinc/94/23/82/1104942382.db2.gz ZVEPZCJSRLBRJC-HNNXBMFYSA-N 2 2 311.389 3.373 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC001275924537 1104957547 /nfs/dbraw/zinc/95/75/47/1104957547.db2.gz UYOMCEUNUHGUFH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC001275924537 1104957550 /nfs/dbraw/zinc/95/75/50/1104957550.db2.gz UYOMCEUNUHGUFH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC001275924537 1104957555 /nfs/dbraw/zinc/95/75/55/1104957555.db2.gz UYOMCEUNUHGUFH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC001275924537 1104957558 /nfs/dbraw/zinc/95/75/58/1104957558.db2.gz UYOMCEUNUHGUFH-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1 ZINC001247702364 1104959881 /nfs/dbraw/zinc/95/98/81/1104959881.db2.gz WCQCJUAWCYJLGZ-HNNXBMFYSA-N 2 2 320.352 3.108 20 0 DGADLP CC(C)c1ccc(-c2noc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)cc1 ZINC001247702014 1104960083 /nfs/dbraw/zinc/96/00/83/1104960083.db2.gz UVRUUZMZVVMYPL-KRWDZBQOSA-N 2 2 322.412 3.486 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187981 1105043187 /nfs/dbraw/zinc/04/31/87/1105043187.db2.gz UMUCPUKRLBDTCA-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187981 1105043190 /nfs/dbraw/zinc/04/31/90/1105043190.db2.gz UMUCPUKRLBDTCA-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187981 1105043196 /nfs/dbraw/zinc/04/31/96/1105043196.db2.gz UMUCPUKRLBDTCA-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3cccc(F)c3[nH]1)C2 ZINC001276187981 1105043204 /nfs/dbraw/zinc/04/32/04/1105043204.db2.gz UMUCPUKRLBDTCA-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)c(F)c3F)(C1)CCC2 ZINC001276211854 1105049662 /nfs/dbraw/zinc/04/96/62/1105049662.db2.gz BSJJIPDCMYZJHF-JKSUJKDBSA-N 2 2 316.342 3.397 20 0 DGADLP Cc1cccnc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276257785 1105065381 /nfs/dbraw/zinc/06/53/81/1105065381.db2.gz RYESDEWXOLSSAQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccnc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276257785 1105065385 /nfs/dbraw/zinc/06/53/85/1105065385.db2.gz RYESDEWXOLSSAQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276257785 1105065390 /nfs/dbraw/zinc/06/53/90/1105065390.db2.gz RYESDEWXOLSSAQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276257785 1105065395 /nfs/dbraw/zinc/06/53/95/1105065395.db2.gz RYESDEWXOLSSAQ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP C[NH+](C)CCCOc1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001248408002 1105110388 /nfs/dbraw/zinc/11/03/88/1105110388.db2.gz OUZWNJIFOTZGRT-UHFFFAOYSA-N 2 2 310.401 3.408 20 0 DGADLP Cn1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC001248763788 1105157380 /nfs/dbraw/zinc/15/73/80/1105157380.db2.gz WEFCCVHBWWMVJY-UHFFFAOYSA-N 2 2 324.472 3.147 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3n2CCC3)C2CCCC2)CC1 ZINC001248825385 1105171891 /nfs/dbraw/zinc/17/18/91/1105171891.db2.gz BGFVITWKTVCQJL-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3n2CCC3)C2CCCC2)CC1 ZINC001248825385 1105171892 /nfs/dbraw/zinc/17/18/92/1105171892.db2.gz BGFVITWKTVCQJL-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1coc(-c2ccc(F)cc2)n1 ZINC001248856213 1105179650 /nfs/dbraw/zinc/17/96/50/1105179650.db2.gz LNGXOGFKUZHAAX-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1coc(-c2ccc(F)cc2)n1 ZINC001248856213 1105179655 /nfs/dbraw/zinc/17/96/55/1105179655.db2.gz LNGXOGFKUZHAAX-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248963074 1105203642 /nfs/dbraw/zinc/20/36/42/1105203642.db2.gz JDYZUWAWXUEWPA-MRXNPFEDSA-N 2 2 323.400 3.469 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248963074 1105203646 /nfs/dbraw/zinc/20/36/46/1105203646.db2.gz JDYZUWAWXUEWPA-MRXNPFEDSA-N 2 2 323.400 3.469 20 0 DGADLP CCSc1ccccc1C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001249439292 1105286905 /nfs/dbraw/zinc/28/69/05/1105286905.db2.gz LNFHBDYCYPANBW-UHFFFAOYSA-N 2 2 322.518 3.341 20 0 DGADLP CCSc1ccccc1C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001249439292 1105286907 /nfs/dbraw/zinc/28/69/07/1105286907.db2.gz LNFHBDYCYPANBW-UHFFFAOYSA-N 2 2 322.518 3.341 20 0 DGADLP CCc1[nH+]ccc(C)c1NC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001249556485 1105312543 /nfs/dbraw/zinc/31/25/43/1105312543.db2.gz VUPJLBHNNODFRP-INIZCTEOSA-N 2 2 301.434 3.133 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)cn1 ZINC001206583346 1105524644 /nfs/dbraw/zinc/52/46/44/1105524644.db2.gz SUZLAVAVPQXVHZ-INIZCTEOSA-N 2 2 311.857 3.085 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)cn1 ZINC001206583346 1105524647 /nfs/dbraw/zinc/52/46/47/1105524647.db2.gz SUZLAVAVPQXVHZ-INIZCTEOSA-N 2 2 311.857 3.085 20 0 DGADLP C[NH+]1CCN(c2ccc3[nH]c(Cc4ccc(F)cc4)[nH+]c3c2)CC1 ZINC001250554441 1105536927 /nfs/dbraw/zinc/53/69/27/1105536927.db2.gz WMLJSPMUKDRXBO-UHFFFAOYSA-N 2 2 324.403 3.045 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000347031216 1105599287 /nfs/dbraw/zinc/59/92/87/1105599287.db2.gz YLUGSAVBONBEJF-SFHVURJKSA-N 2 2 320.440 3.339 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000347031216 1105599293 /nfs/dbraw/zinc/59/92/93/1105599293.db2.gz YLUGSAVBONBEJF-SFHVURJKSA-N 2 2 320.440 3.339 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)c1ccccc1 ZINC001251992503 1105721084 /nfs/dbraw/zinc/72/10/84/1105721084.db2.gz VFYNTHQTSKCWPM-LJQANCHMSA-N 2 2 307.397 3.038 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)c1ccccc1 ZINC001251992503 1105721088 /nfs/dbraw/zinc/72/10/88/1105721088.db2.gz VFYNTHQTSKCWPM-LJQANCHMSA-N 2 2 307.397 3.038 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001252859154 1105844773 /nfs/dbraw/zinc/84/47/73/1105844773.db2.gz BCYSVWKZLHTYIE-OALUTQOASA-N 2 2 316.420 3.142 20 0 DGADLP CC[NH+](CC)C[C@@H](O)CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001253178755 1105899474 /nfs/dbraw/zinc/89/94/74/1105899474.db2.gz KEZAMCUFTLRFOZ-KRWDZBQOSA-N 2 2 317.408 3.002 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC001253404821 1105935715 /nfs/dbraw/zinc/93/57/15/1105935715.db2.gz IGUJXPQWLSJSKB-AWEZNQCLSA-N 2 2 310.441 3.095 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447432 1106072670 /nfs/dbraw/zinc/07/26/70/1106072670.db2.gz GWGNIOAYQCGGMF-WMZOPIPTSA-N 2 2 314.408 3.344 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447432 1106072677 /nfs/dbraw/zinc/07/26/77/1106072677.db2.gz GWGNIOAYQCGGMF-WMZOPIPTSA-N 2 2 314.408 3.344 20 0 DGADLP C([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254841123 1106147314 /nfs/dbraw/zinc/14/73/14/1106147314.db2.gz STYFUNNZJLWDIJ-LJQANCHMSA-N 3 2 319.537 3.105 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129496 1106186468 /nfs/dbraw/zinc/18/64/68/1106186468.db2.gz ZTSPLYWKNOAFRJ-AKHDSKFASA-N 2 2 312.457 3.283 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129496 1106186470 /nfs/dbraw/zinc/18/64/70/1106186470.db2.gz ZTSPLYWKNOAFRJ-AKHDSKFASA-N 2 2 312.457 3.283 20 0 DGADLP F[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140010 1106189454 /nfs/dbraw/zinc/18/94/54/1106189454.db2.gz HFQLTRLWFUEAHR-YDETXVTLSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140010 1106189456 /nfs/dbraw/zinc/18/94/56/1106189456.db2.gz HFQLTRLWFUEAHR-YDETXVTLSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140010 1106189458 /nfs/dbraw/zinc/18/94/58/1106189458.db2.gz HFQLTRLWFUEAHR-YDETXVTLSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140010 1106189459 /nfs/dbraw/zinc/18/94/59/1106189459.db2.gz HFQLTRLWFUEAHR-YDETXVTLSA-N 2 2 314.448 3.472 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150431 1106191290 /nfs/dbraw/zinc/19/12/90/1106191290.db2.gz UWPGJYRWAJIITQ-NMLBUPMWSA-N 2 2 312.457 3.235 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150431 1106191292 /nfs/dbraw/zinc/19/12/92/1106191292.db2.gz UWPGJYRWAJIITQ-NMLBUPMWSA-N 2 2 312.457 3.235 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150431 1106191294 /nfs/dbraw/zinc/19/12/94/1106191294.db2.gz UWPGJYRWAJIITQ-NMLBUPMWSA-N 2 2 312.457 3.235 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150431 1106191297 /nfs/dbraw/zinc/19/12/97/1106191297.db2.gz UWPGJYRWAJIITQ-NMLBUPMWSA-N 2 2 312.457 3.235 20 0 DGADLP C[C@@H]1C(=O)CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001255682223 1106293777 /nfs/dbraw/zinc/29/37/77/1106293777.db2.gz DTCOBVGBWDXXNM-VPSFDDGASA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001255682223 1106293781 /nfs/dbraw/zinc/29/37/81/1106293781.db2.gz DTCOBVGBWDXXNM-VPSFDDGASA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC001255682223 1106293784 /nfs/dbraw/zinc/29/37/84/1106293784.db2.gz DTCOBVGBWDXXNM-VPSFDDGASA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C12CCCC2 ZINC001255682223 1106293789 /nfs/dbraw/zinc/29/37/89/1106293789.db2.gz DTCOBVGBWDXXNM-VPSFDDGASA-N 2 2 304.478 3.225 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H]1CCC[C@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC001255705887 1106298937 /nfs/dbraw/zinc/29/89/37/1106298937.db2.gz MNLXMYWVJALRAR-NWDGAFQWSA-N 2 2 301.356 3.173 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ncccc1C(F)(F)F ZINC001255940894 1106345498 /nfs/dbraw/zinc/34/54/98/1106345498.db2.gz IDPICKPNKKETFP-GFCCVEGCSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001255957231 1106349791 /nfs/dbraw/zinc/34/97/91/1106349791.db2.gz QAMCUJTZICGMAC-HUUCEWRRSA-N 2 2 314.470 3.133 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001255957231 1106349794 /nfs/dbraw/zinc/34/97/94/1106349794.db2.gz QAMCUJTZICGMAC-HUUCEWRRSA-N 2 2 314.470 3.133 20 0 DGADLP Clc1ncccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071741 1106364472 /nfs/dbraw/zinc/36/44/72/1106364472.db2.gz MZGVJFOLMBZRLT-INIZCTEOSA-N 2 2 305.853 3.403 20 0 DGADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108260 1106368948 /nfs/dbraw/zinc/36/89/48/1106368948.db2.gz HDEBFRYJNOPXTP-PMACEKPBSA-N 3 2 317.521 3.315 20 0 DGADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108260 1106368951 /nfs/dbraw/zinc/36/89/51/1106368951.db2.gz HDEBFRYJNOPXTP-PMACEKPBSA-N 3 2 317.521 3.315 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)c1 ZINC001256153057 1106379843 /nfs/dbraw/zinc/37/98/43/1106379843.db2.gz RZMBOZUWXNIBDI-RDJZCZTQSA-N 2 2 304.478 3.336 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)c1 ZINC001256153057 1106379848 /nfs/dbraw/zinc/37/98/48/1106379848.db2.gz RZMBOZUWXNIBDI-RDJZCZTQSA-N 2 2 304.478 3.336 20 0 DGADLP Cc1[nH+]cn([C@H](C)Cc2cccc(Br)c2)c1CC[NH3+] ZINC001256173551 1106383994 /nfs/dbraw/zinc/38/39/94/1106383994.db2.gz PXTYXPZGWSSSPF-LLVKDONJSA-N 2 2 322.250 3.259 20 0 DGADLP C[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001256199598 1106389807 /nfs/dbraw/zinc/38/98/07/1106389807.db2.gz RWXFKSGLEMJUJR-UHFFFAOYSA-N 2 2 308.853 3.030 20 0 DGADLP C[NH+]1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC1 ZINC001256199582 1106390310 /nfs/dbraw/zinc/39/03/10/1106390310.db2.gz RPWFQJHMEWGLPI-HNNXBMFYSA-N 2 2 313.367 3.235 20 0 DGADLP C[NH+]1CCC([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001256210937 1106391261 /nfs/dbraw/zinc/39/12/61/1106391261.db2.gz NWOLZZNZCYUBRH-UHFFFAOYSA-N 2 2 314.351 3.038 20 0 DGADLP C[NH+]1CCC([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001256210937 1106391265 /nfs/dbraw/zinc/39/12/65/1106391265.db2.gz NWOLZZNZCYUBRH-UHFFFAOYSA-N 2 2 314.351 3.038 20 0 DGADLP CC(C)CC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001256353668 1106408646 /nfs/dbraw/zinc/40/86/46/1106408646.db2.gz XSVRRLQCWSMIKP-KRWDZBQOSA-N 2 2 304.478 3.433 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523870 1106433303 /nfs/dbraw/zinc/43/33/03/1106433303.db2.gz SAIOTENUPCYGCB-VQIMIIECSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523870 1106433306 /nfs/dbraw/zinc/43/33/06/1106433306.db2.gz SAIOTENUPCYGCB-VQIMIIECSA-N 2 2 324.472 3.052 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522165 1106433663 /nfs/dbraw/zinc/43/36/63/1106433663.db2.gz DZYMHBKFAQDFSB-MJGOQNOKSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256522165 1106433664 /nfs/dbraw/zinc/43/36/64/1106433664.db2.gz DZYMHBKFAQDFSB-MJGOQNOKSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522165 1106433667 /nfs/dbraw/zinc/43/36/67/1106433667.db2.gz DZYMHBKFAQDFSB-MJGOQNOKSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256522165 1106433668 /nfs/dbraw/zinc/43/36/68/1106433668.db2.gz DZYMHBKFAQDFSB-MJGOQNOKSA-N 3 2 303.494 3.100 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256558061 1106443596 /nfs/dbraw/zinc/44/35/96/1106443596.db2.gz HXRMCAIQHRMYLU-CALCHBBNSA-N 3 2 309.542 3.207 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256558061 1106443598 /nfs/dbraw/zinc/44/35/98/1106443598.db2.gz HXRMCAIQHRMYLU-CALCHBBNSA-N 3 2 309.542 3.207 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cncn2CC2CCC2)CC1 ZINC001256565389 1106446617 /nfs/dbraw/zinc/44/66/17/1106446617.db2.gz FYPJPIPISVQQGR-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001256568812 1106447588 /nfs/dbraw/zinc/44/75/88/1106447588.db2.gz GMDIIINBJRKSQB-UHFFFAOYSA-N 2 2 319.468 3.211 20 0 DGADLP Cc1cccc(C)c1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC001256582470 1106450035 /nfs/dbraw/zinc/45/00/35/1106450035.db2.gz FLMBWJHWTRJTKU-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256597345 1106451919 /nfs/dbraw/zinc/45/19/19/1106451919.db2.gz YLIHWOWOENQDLA-UHFFFAOYSA-N 3 2 317.521 3.363 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256597345 1106451924 /nfs/dbraw/zinc/45/19/24/1106451924.db2.gz YLIHWOWOENQDLA-UHFFFAOYSA-N 3 2 317.521 3.363 20 0 DGADLP CC(C)[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001256613657 1106454699 /nfs/dbraw/zinc/45/46/99/1106454699.db2.gz RJHQHVWGFRSVQF-IBGZPJMESA-N 2 2 302.462 3.008 20 0 DGADLP CC(C)[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001256613657 1106454702 /nfs/dbraw/zinc/45/47/02/1106454702.db2.gz RJHQHVWGFRSVQF-IBGZPJMESA-N 2 2 302.462 3.008 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256783118 1106481555 /nfs/dbraw/zinc/48/15/55/1106481555.db2.gz XUPLNSDBWLOECG-RTBURBONSA-N 2 2 302.462 3.228 20 0 DGADLP CCC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001256870977 1106501390 /nfs/dbraw/zinc/50/13/90/1106501390.db2.gz DMNVPBGXRWTATQ-CGIJZDBUSA-N 2 2 313.489 3.414 20 0 DGADLP Fc1cccnc1C1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256910397 1106510525 /nfs/dbraw/zinc/51/05/25/1106510525.db2.gz YVKCUCVWGSEPBQ-HNNXBMFYSA-N 2 2 317.452 3.249 20 0 DGADLP Fc1cccnc1C1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256910397 1106510531 /nfs/dbraw/zinc/51/05/31/1106510531.db2.gz YVKCUCVWGSEPBQ-HNNXBMFYSA-N 2 2 317.452 3.249 20 0 DGADLP Fc1cccnc1C1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256910399 1106510783 /nfs/dbraw/zinc/51/07/83/1106510783.db2.gz YVKCUCVWGSEPBQ-OAHLLOKOSA-N 2 2 317.452 3.249 20 0 DGADLP Fc1cccnc1C1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256910399 1106510786 /nfs/dbraw/zinc/51/07/86/1106510786.db2.gz YVKCUCVWGSEPBQ-OAHLLOKOSA-N 2 2 317.452 3.249 20 0 DGADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068983 1106532969 /nfs/dbraw/zinc/53/29/69/1106532969.db2.gz QKCYDDROUMSPDT-MAUKXSAKSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068983 1106532972 /nfs/dbraw/zinc/53/29/72/1106532972.db2.gz QKCYDDROUMSPDT-MAUKXSAKSA-N 2 2 322.493 3.057 20 0 DGADLP COc1cccc(OC)c1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257209057 1106551911 /nfs/dbraw/zinc/55/19/11/1106551911.db2.gz YGIYKILFFJXGNE-AWEZNQCLSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)nc1 ZINC001257212549 1106552631 /nfs/dbraw/zinc/55/26/31/1106552631.db2.gz YCWVUFAJUDTFJX-SFHVURJKSA-N 2 2 303.450 3.004 20 0 DGADLP CCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001257322673 1106568333 /nfs/dbraw/zinc/56/83/33/1106568333.db2.gz ZEJKHXYZIZGIJH-MRXNPFEDSA-N 2 2 304.482 3.039 20 0 DGADLP CCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001257322673 1106568336 /nfs/dbraw/zinc/56/83/36/1106568336.db2.gz ZEJKHXYZIZGIJH-MRXNPFEDSA-N 2 2 304.482 3.039 20 0 DGADLP CCCC(CCC)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257336762 1106570124 /nfs/dbraw/zinc/57/01/24/1106570124.db2.gz GVOQGTUSDLWGDN-CALCHBBNSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257336762 1106570127 /nfs/dbraw/zinc/57/01/27/1106570127.db2.gz GVOQGTUSDLWGDN-CALCHBBNSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257336762 1106570129 /nfs/dbraw/zinc/57/01/29/1106570129.db2.gz GVOQGTUSDLWGDN-CALCHBBNSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257336762 1106570131 /nfs/dbraw/zinc/57/01/31/1106570131.db2.gz GVOQGTUSDLWGDN-CALCHBBNSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420211 1106585428 /nfs/dbraw/zinc/58/54/28/1106585428.db2.gz DZDHVYWYQKRZRP-QRVBRYPASA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420211 1106585430 /nfs/dbraw/zinc/58/54/30/1106585430.db2.gz DZDHVYWYQKRZRP-QRVBRYPASA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420211 1106585433 /nfs/dbraw/zinc/58/54/33/1106585433.db2.gz DZDHVYWYQKRZRP-QRVBRYPASA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420211 1106585435 /nfs/dbraw/zinc/58/54/35/1106585435.db2.gz DZDHVYWYQKRZRP-QRVBRYPASA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257420045 1106585660 /nfs/dbraw/zinc/58/56/60/1106585660.db2.gz DETUUTLWRSFSRL-ZIFCJYIRSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257420045 1106585664 /nfs/dbraw/zinc/58/56/64/1106585664.db2.gz DETUUTLWRSFSRL-ZIFCJYIRSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257420045 1106585668 /nfs/dbraw/zinc/58/56/68/1106585668.db2.gz DETUUTLWRSFSRL-ZIFCJYIRSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257420045 1106585670 /nfs/dbraw/zinc/58/56/70/1106585670.db2.gz DETUUTLWRSFSRL-ZIFCJYIRSA-N 2 2 301.478 3.414 20 0 DGADLP c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C2CCCCC2)[nH+]c1 ZINC001257457258 1106593066 /nfs/dbraw/zinc/59/30/66/1106593066.db2.gz CJQVLMSBGLAJEI-KRWDZBQOSA-N 2 2 315.461 3.132 20 0 DGADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](C2CCCCC2)CC3)n1 ZINC001257457826 1106593891 /nfs/dbraw/zinc/59/38/91/1106593891.db2.gz PMAYXGLKVZJBOB-UHFFFAOYSA-N 2 2 316.493 3.183 20 0 DGADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](C2CCCCC2)CC3)n1 ZINC001257457826 1106593892 /nfs/dbraw/zinc/59/38/92/1106593892.db2.gz PMAYXGLKVZJBOB-UHFFFAOYSA-N 2 2 316.493 3.183 20 0 DGADLP CCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257513885 1106600993 /nfs/dbraw/zinc/60/09/93/1106600993.db2.gz XXFUVCUHQBBZRQ-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257513885 1106600996 /nfs/dbraw/zinc/60/09/96/1106600996.db2.gz XXFUVCUHQBBZRQ-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257513885 1106600998 /nfs/dbraw/zinc/60/09/98/1106600998.db2.gz XXFUVCUHQBBZRQ-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257513885 1106601001 /nfs/dbraw/zinc/60/10/01/1106601001.db2.gz XXFUVCUHQBBZRQ-QRQLOZEOSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@@H](C)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257515713 1106601069 /nfs/dbraw/zinc/60/10/69/1106601069.db2.gz UGAJIJXAXXWHMY-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP CCCCC[C@@H](C)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257515713 1106601071 /nfs/dbraw/zinc/60/10/71/1106601071.db2.gz UGAJIJXAXXWHMY-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP CCCCC[C@@H](C)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001257515713 1106601074 /nfs/dbraw/zinc/60/10/74/1106601074.db2.gz UGAJIJXAXXWHMY-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP CCCCC[C@@H](C)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001257515713 1106601075 /nfs/dbraw/zinc/60/10/75/1106601075.db2.gz UGAJIJXAXXWHMY-MRXNPFEDSA-N 2 2 321.513 3.293 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC001257657398 1106615704 /nfs/dbraw/zinc/61/57/04/1106615704.db2.gz DXTXYNZFWMPLOO-KRWDZBQOSA-N 2 2 320.502 3.145 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)c1 ZINC001257664704 1106616906 /nfs/dbraw/zinc/61/69/06/1106616906.db2.gz VKNGHUVYPBMSGN-QGZVFWFLSA-N 2 2 320.502 3.145 20 0 DGADLP CC(C)OC1CCC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001257877494 1106638633 /nfs/dbraw/zinc/63/86/33/1106638633.db2.gz KFVXNVJUUDBYDH-JLAWEPINSA-N 2 2 302.462 3.108 20 0 DGADLP CC(C)OC1CCC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001257877494 1106638635 /nfs/dbraw/zinc/63/86/35/1106638635.db2.gz KFVXNVJUUDBYDH-JLAWEPINSA-N 2 2 302.462 3.108 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001258007534 1106656609 /nfs/dbraw/zinc/65/66/09/1106656609.db2.gz GHPUETGAMMBOKA-GOSISDBHSA-N 2 2 305.441 3.382 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001258014280 1106658460 /nfs/dbraw/zinc/65/84/60/1106658460.db2.gz IAODGIPDUNAILF-LJQANCHMSA-N 3 2 321.553 3.447 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001258014280 1106658464 /nfs/dbraw/zinc/65/84/64/1106658464.db2.gz IAODGIPDUNAILF-LJQANCHMSA-N 3 2 321.553 3.447 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCC3(CCOC3(C)C)CC2)CC1 ZINC001258017992 1106659343 /nfs/dbraw/zinc/65/93/43/1106659343.db2.gz JFNQJAHAXKCUJT-UHFFFAOYSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H](Cc1ccco1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258177281 1106688667 /nfs/dbraw/zinc/68/86/67/1106688667.db2.gz QLKACMMSIHGCNP-XHDPSFHLSA-N 2 2 323.234 3.263 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)CCSC)CC2)c1 ZINC001258206610 1106696353 /nfs/dbraw/zinc/69/63/53/1106696353.db2.gz KWSZCRNOPZPPLI-HNNXBMFYSA-N 2 2 322.518 3.391 20 0 DGADLP CC1(C)CCC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288621 1106710477 /nfs/dbraw/zinc/71/04/77/1106710477.db2.gz XYAJGFZMTCWBEU-SCTDSRPQSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288621 1106710479 /nfs/dbraw/zinc/71/04/79/1106710479.db2.gz XYAJGFZMTCWBEU-SCTDSRPQSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288621 1106710483 /nfs/dbraw/zinc/71/04/83/1106710483.db2.gz XYAJGFZMTCWBEU-SCTDSRPQSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288621 1106710487 /nfs/dbraw/zinc/71/04/87/1106710487.db2.gz XYAJGFZMTCWBEU-SCTDSRPQSA-N 2 2 313.489 3.414 20 0 DGADLP CSC(C)(C)C[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258343107 1106719928 /nfs/dbraw/zinc/71/99/28/1106719928.db2.gz SGKFPKUTOQVUPX-AWEZNQCLSA-N 2 2 322.522 3.136 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CC(C)(C)SC)CC2)c1 ZINC001258348570 1106720471 /nfs/dbraw/zinc/72/04/71/1106720471.db2.gz HXBZNFWGAIOMDL-AWEZNQCLSA-N 2 2 323.506 3.132 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CCOc2cc[nH+]cc2)cc1 ZINC001258396172 1106729870 /nfs/dbraw/zinc/72/98/70/1106729870.db2.gz NGRRVRKZUWJHSY-HNNXBMFYSA-N 2 2 300.402 3.080 20 0 DGADLP Fc1cccc(N2CCC([NH2+]Cc3ccc4[nH+]ccn4c3)CC2)c1 ZINC001258419205 1106736845 /nfs/dbraw/zinc/73/68/45/1106736845.db2.gz SVMGJQNRQNEFIP-UHFFFAOYSA-N 2 2 324.403 3.232 20 0 DGADLP CCCCC[C@H](CC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258435933 1106744482 /nfs/dbraw/zinc/74/44/82/1106744482.db2.gz GHJNTGZPPDCNKV-FHWLQOOXSA-N 2 2 303.494 3.147 20 0 DGADLP CCOC(=O)CC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258503187 1106785018 /nfs/dbraw/zinc/78/50/18/1106785018.db2.gz SFPLAQGOKZLPKR-OAHLLOKOSA-N 2 2 315.417 3.036 20 0 DGADLP CCOC(=O)CC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258503187 1106785029 /nfs/dbraw/zinc/78/50/29/1106785029.db2.gz SFPLAQGOKZLPKR-OAHLLOKOSA-N 2 2 315.417 3.036 20 0 DGADLP CCCC1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC1 ZINC001258531194 1106800898 /nfs/dbraw/zinc/80/08/98/1106800898.db2.gz XLTUIIWQFKBMPY-QUDVFMAMSA-N 2 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001258689615 1106907966 /nfs/dbraw/zinc/90/79/66/1106907966.db2.gz HVLAWUSKZMSONB-YSHGAJCASA-N 2 2 315.505 3.003 20 0 DGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258741613 1106944980 /nfs/dbraw/zinc/94/49/80/1106944980.db2.gz NADPOPYSVVPXHU-PBHICJAKSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258741613 1106944990 /nfs/dbraw/zinc/94/49/90/1106944990.db2.gz NADPOPYSVVPXHU-PBHICJAKSA-N 2 2 322.880 3.114 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)nc(Cl)c2)CC1 ZINC001258766054 1106962508 /nfs/dbraw/zinc/96/25/08/1106962508.db2.gz KSBFMYCCOAIKCG-UHFFFAOYSA-N 2 2 302.249 3.352 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258783807 1106975684 /nfs/dbraw/zinc/97/56/84/1106975684.db2.gz JGSJPJKETOMRND-NQYYFHDYSA-N 2 2 303.494 3.003 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258816316 1106998932 /nfs/dbraw/zinc/99/89/32/1106998932.db2.gz BLRWCUKSVHRNHV-BTHPGYMESA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258816316 1106998940 /nfs/dbraw/zinc/99/89/40/1106998940.db2.gz BLRWCUKSVHRNHV-BTHPGYMESA-N 2 2 316.489 3.444 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC001258830666 1107013214 /nfs/dbraw/zinc/01/32/14/1107013214.db2.gz RCQXKAFEAWXFNE-GDBMZVCRSA-N 2 2 303.450 3.227 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C[NH2+]CC(C)C)c(C)[nH+]1 ZINC001317187580 1107108302 /nfs/dbraw/zinc/10/83/02/1107108302.db2.gz JBNUJOWBNKIAQZ-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317364911 1107268936 /nfs/dbraw/zinc/26/89/36/1107268936.db2.gz NDIBMKOMBYBCEE-SJORKVTESA-N 2 2 317.477 3.438 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001261566411 1107465418 /nfs/dbraw/zinc/46/54/18/1107465418.db2.gz GRWSTXZQEKAIQS-UHFFFAOYSA-N 2 2 314.408 3.202 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001261566411 1107465422 /nfs/dbraw/zinc/46/54/22/1107465422.db2.gz GRWSTXZQEKAIQS-UHFFFAOYSA-N 2 2 314.408 3.202 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC001323446379 1107978291 /nfs/dbraw/zinc/97/82/91/1107978291.db2.gz SZUFCMFTZNIHOF-IBGZPJMESA-N 2 2 323.440 3.114 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC001323446379 1107978302 /nfs/dbraw/zinc/97/83/02/1107978302.db2.gz SZUFCMFTZNIHOF-IBGZPJMESA-N 2 2 323.440 3.114 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520207 1107996198 /nfs/dbraw/zinc/99/61/98/1107996198.db2.gz JTHLCPVTWOOJIT-PBHICJAKSA-N 2 2 306.425 3.061 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520207 1107996168 /nfs/dbraw/zinc/99/61/68/1107996168.db2.gz JTHLCPVTWOOJIT-PBHICJAKSA-N 2 2 306.425 3.061 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520207 1107996176 /nfs/dbraw/zinc/99/61/76/1107996176.db2.gz JTHLCPVTWOOJIT-PBHICJAKSA-N 2 2 306.425 3.061 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC001323520207 1107996190 /nfs/dbraw/zinc/99/61/90/1107996190.db2.gz JTHLCPVTWOOJIT-PBHICJAKSA-N 2 2 306.425 3.061 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000378872140 1107998323 /nfs/dbraw/zinc/99/83/23/1107998323.db2.gz QJRJESTUDNWCAV-HNNXBMFYSA-N 2 2 303.454 3.039 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000378966572 1108007384 /nfs/dbraw/zinc/00/73/84/1108007384.db2.gz VDPOUXBDEIVFQW-IRXDYDNUSA-N 2 2 304.478 3.480 20 0 DGADLP C[NH+](C)C1(C[NH2+]CCc2ccc(F)cc2)Cc2ccccc2C1 ZINC001323569979 1108017510 /nfs/dbraw/zinc/01/75/10/1108017510.db2.gz YCKZSYMRRSKJTH-UHFFFAOYSA-N 2 2 312.432 3.057 20 0 DGADLP CCOC(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000379639667 1108033231 /nfs/dbraw/zinc/03/32/31/1108033231.db2.gz AXXJDACQDKMPJR-FUHWJXTLSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000379639667 1108033246 /nfs/dbraw/zinc/03/32/46/1108033246.db2.gz AXXJDACQDKMPJR-FUHWJXTLSA-N 2 2 320.477 3.028 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC001318553202 1108090831 /nfs/dbraw/zinc/09/08/31/1108090831.db2.gz PDHATGJXAVMGQO-UHFFFAOYSA-N 2 2 317.352 3.309 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001323831162 1108098055 /nfs/dbraw/zinc/09/80/55/1108098055.db2.gz VGYZRAPBMPRJGT-IYOUNJFTSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001323831162 1108098071 /nfs/dbraw/zinc/09/80/71/1108098071.db2.gz VGYZRAPBMPRJGT-IYOUNJFTSA-N 2 2 320.864 3.170 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C(F)=C1CCCC1 ZINC001323943637 1108125554 /nfs/dbraw/zinc/12/55/54/1108125554.db2.gz LDNZIEXVLNAOCD-UHFFFAOYSA-N 2 2 300.337 3.312 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)CC(F)(F)F ZINC001263731455 1108179025 /nfs/dbraw/zinc/17/90/25/1108179025.db2.gz FTMQQEGCVXOWQK-SECBINFHSA-N 2 2 312.295 3.103 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)sc2C1 ZINC001324456060 1108296384 /nfs/dbraw/zinc/29/63/84/1108296384.db2.gz NKSFSZMCETWXIU-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)sc2C1 ZINC001324456060 1108296395 /nfs/dbraw/zinc/29/63/95/1108296395.db2.gz NKSFSZMCETWXIU-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)sc2C1 ZINC001324456060 1108296401 /nfs/dbraw/zinc/29/64/01/1108296401.db2.gz NKSFSZMCETWXIU-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)sc2C1 ZINC001324456060 1108296408 /nfs/dbraw/zinc/29/64/08/1108296408.db2.gz NKSFSZMCETWXIU-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000386422016 1108444549 /nfs/dbraw/zinc/44/45/49/1108444549.db2.gz PLKZZWYHIHQJQU-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000386422016 1108444556 /nfs/dbraw/zinc/44/45/56/1108444556.db2.gz PLKZZWYHIHQJQU-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001325232366 1108602554 /nfs/dbraw/zinc/60/25/54/1108602554.db2.gz LLXXQQHISBWXNM-DLBZAZTESA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001325232366 1108602559 /nfs/dbraw/zinc/60/25/59/1108602559.db2.gz LLXXQQHISBWXNM-DLBZAZTESA-N 2 2 317.477 3.166 20 0 DGADLP CC(C)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCC(C)(C)C ZINC001319948111 1108708827 /nfs/dbraw/zinc/70/88/27/1108708827.db2.gz SUQBDFZOGPRFMZ-HOTGVXAUSA-N 2 2 322.497 3.001 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901752 1111353045 /nfs/dbraw/zinc/35/30/45/1111353045.db2.gz QCBGSPNZMSOKKH-PBHICJAKSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901752 1111353050 /nfs/dbraw/zinc/35/30/50/1111353050.db2.gz QCBGSPNZMSOKKH-PBHICJAKSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901752 1111353053 /nfs/dbraw/zinc/35/30/53/1111353053.db2.gz QCBGSPNZMSOKKH-PBHICJAKSA-N 2 2 324.896 3.003 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC001307901752 1111353057 /nfs/dbraw/zinc/35/30/57/1111353057.db2.gz QCBGSPNZMSOKKH-PBHICJAKSA-N 2 2 324.896 3.003 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001308195621 1111395353 /nfs/dbraw/zinc/39/53/53/1111395353.db2.gz OLCHETVMMXLFSK-GFCCVEGCSA-N 2 2 300.793 3.263 20 0 DGADLP Cc1nc2ccccn2c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001308243793 1111403708 /nfs/dbraw/zinc/40/37/08/1111403708.db2.gz ATPPGGYZOFUMGH-UHFFFAOYSA-N 2 2 309.417 3.020 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308459287 1111431360 /nfs/dbraw/zinc/43/13/60/1111431360.db2.gz OTHPLDFYYDGYKG-KZNAEPCWSA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308459287 1111431365 /nfs/dbraw/zinc/43/13/65/1111431365.db2.gz OTHPLDFYYDGYKG-KZNAEPCWSA-N 2 2 302.462 3.197 20 0 DGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CO)c1ccccc1 ZINC001308780897 1111474328 /nfs/dbraw/zinc/47/43/28/1111474328.db2.gz SWNTWAXCQCHDHL-KRWDZBQOSA-N 2 2 313.426 3.099 20 0 DGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](CO)c1ccccc1 ZINC001308780897 1111474330 /nfs/dbraw/zinc/47/43/30/1111474330.db2.gz SWNTWAXCQCHDHL-KRWDZBQOSA-N 2 2 313.426 3.099 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC001308841277 1111483375 /nfs/dbraw/zinc/48/33/75/1111483375.db2.gz VTQXYPYHSOWPCE-SQNIBIBYSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC001308841277 1111483378 /nfs/dbraw/zinc/48/33/78/1111483378.db2.gz VTQXYPYHSOWPCE-SQNIBIBYSA-N 2 2 304.865 3.414 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001308858264 1111485306 /nfs/dbraw/zinc/48/53/06/1111485306.db2.gz DMSGPNCBIZMXTC-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001308858264 1111485308 /nfs/dbraw/zinc/48/53/08/1111485308.db2.gz DMSGPNCBIZMXTC-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccccc1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000062254409 432002949 /nfs/dbraw/zinc/00/29/49/432002949.db2.gz NROFTYVCMLIGKI-LBPRGKRZSA-N 2 2 313.323 3.208 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414788221 230816071 /nfs/dbraw/zinc/81/60/71/230816071.db2.gz CZTJTWUNFSQAOO-QGZVFWFLSA-N 2 2 320.868 3.215 20 0 DGADLP Cc1[nH+]cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n1-c1ccccc1 ZINC000289186211 282152184 /nfs/dbraw/zinc/15/21/84/282152184.db2.gz ANYURTLWVBGRIY-LPHOPBHVSA-N 2 2 324.472 3.239 20 0 DGADLP CC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302136329 529401637 /nfs/dbraw/zinc/40/16/37/529401637.db2.gz BGGHOWMCFWAPSB-GOSISDBHSA-N 2 2 310.445 3.194 20 0 DGADLP CC[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000302136329 529401640 /nfs/dbraw/zinc/40/16/40/529401640.db2.gz BGGHOWMCFWAPSB-GOSISDBHSA-N 2 2 310.445 3.194 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664453 231102679 /nfs/dbraw/zinc/10/26/79/231102679.db2.gz OIJAAWRCADYUJQ-NVXWUHKLSA-N 2 2 313.420 3.393 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664453 231102683 /nfs/dbraw/zinc/10/26/83/231102683.db2.gz OIJAAWRCADYUJQ-NVXWUHKLSA-N 2 2 313.420 3.393 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309907380 231107524 /nfs/dbraw/zinc/10/75/24/231107524.db2.gz QYRFTPKRSJAKSL-QFBILLFUSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309907380 231107526 /nfs/dbraw/zinc/10/75/26/231107526.db2.gz QYRFTPKRSJAKSL-QFBILLFUSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309907382 231107633 /nfs/dbraw/zinc/10/76/33/231107633.db2.gz QYRFTPKRSJAKSL-VQIMIIECSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309907382 231107634 /nfs/dbraw/zinc/10/76/34/231107634.db2.gz QYRFTPKRSJAKSL-VQIMIIECSA-N 2 2 310.441 3.448 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccncc2)cc1 ZINC000320005142 231190442 /nfs/dbraw/zinc/19/04/42/231190442.db2.gz ZSLBVJLBSGVVGC-HXUWFJFHSA-N 2 2 307.441 3.387 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309573075 529430919 /nfs/dbraw/zinc/43/09/19/529430919.db2.gz COUQOAIPNWOGSE-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000309573075 529430923 /nfs/dbraw/zinc/43/09/23/529430923.db2.gz COUQOAIPNWOGSE-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP CCc1cc(NCc2ccc(N(C)C)[nH+]c2)c2ccccc2[nH+]1 ZINC000443672628 529505865 /nfs/dbraw/zinc/50/58/65/529505865.db2.gz FRFYLWULKLXBSE-UHFFFAOYSA-N 2 2 306.413 3.292 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000415064135 529610927 /nfs/dbraw/zinc/61/09/27/529610927.db2.gz JXQHZVNRRAMLIF-IBGZPJMESA-N 2 2 320.440 3.429 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000415070360 529617257 /nfs/dbraw/zinc/61/72/57/529617257.db2.gz UTHXYCUJEYLCPX-HXUWFJFHSA-N 2 2 320.440 3.224 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C(C)(C)O ZINC000292884263 529681755 /nfs/dbraw/zinc/68/17/55/529681755.db2.gz CGINJWBFDRDFGA-QGZVFWFLSA-N 2 2 324.896 3.444 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n[nH]1 ZINC000090530648 185300872 /nfs/dbraw/zinc/30/08/72/185300872.db2.gz CSRHDSQFPKBPRR-DZGCQCFKSA-N 2 2 323.444 3.494 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401696 185294578 /nfs/dbraw/zinc/29/45/78/185294578.db2.gz NOVWRQLCDXETQW-IPYPFGDCSA-N 2 2 316.474 3.023 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401696 185294579 /nfs/dbraw/zinc/29/45/79/185294579.db2.gz NOVWRQLCDXETQW-IPYPFGDCSA-N 2 2 316.474 3.023 20 0 DGADLP C[C@@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)Cn1cc[nH+]c1 ZINC000092375287 185314391 /nfs/dbraw/zinc/31/43/91/185314391.db2.gz ASLQVMWPUXJFHE-AWEZNQCLSA-N 2 2 312.442 3.433 20 0 DGADLP Cc1ncsc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587838 185327740 /nfs/dbraw/zinc/32/77/40/185327740.db2.gz MWXOAQZVSXVBOZ-INIZCTEOSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587838 185327741 /nfs/dbraw/zinc/32/77/41/185327741.db2.gz MWXOAQZVSXVBOZ-INIZCTEOSA-N 2 2 307.507 3.395 20 0 DGADLP CCc1nc(C)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000428962864 529721665 /nfs/dbraw/zinc/72/16/65/529721665.db2.gz CFFASKBBRMKSOT-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP CCc1nc(C)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000428962864 529721668 /nfs/dbraw/zinc/72/16/68/529721668.db2.gz CFFASKBBRMKSOT-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP CCc1nc(C)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)o1 ZINC000428962864 529721670 /nfs/dbraw/zinc/72/16/70/529721670.db2.gz CFFASKBBRMKSOT-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP CCc1nc(C)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000428962864 529721671 /nfs/dbraw/zinc/72/16/71/529721671.db2.gz CFFASKBBRMKSOT-UHFFFAOYSA-N 2 2 305.422 3.092 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181488579 199304683 /nfs/dbraw/zinc/30/46/83/199304683.db2.gz WZNNZORKAPEKCN-AWEZNQCLSA-N 2 2 320.433 3.060 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000181488579 199304685 /nfs/dbraw/zinc/30/46/85/199304685.db2.gz WZNNZORKAPEKCN-AWEZNQCLSA-N 2 2 320.433 3.060 20 0 DGADLP CC1(C)[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC000181586321 199322867 /nfs/dbraw/zinc/32/28/67/199322867.db2.gz BIHVXBXQAWSBQW-KKXDTOCCSA-N 2 2 313.445 3.289 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000433338758 529891410 /nfs/dbraw/zinc/89/14/10/529891410.db2.gz INHKEBULKGOKDC-UHFFFAOYSA-N 2 2 324.428 3.281 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000433338758 529891411 /nfs/dbraw/zinc/89/14/11/529891411.db2.gz INHKEBULKGOKDC-UHFFFAOYSA-N 2 2 324.428 3.281 20 0 DGADLP C[NH2+]C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000430929704 529955978 /nfs/dbraw/zinc/95/59/78/529955978.db2.gz YIXQYIXCNTURSE-UHFFFAOYSA-N 2 2 303.233 3.056 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628097 529988555 /nfs/dbraw/zinc/98/85/55/529988555.db2.gz NXZYEXXLJIFLFD-CABCVRRESA-N 2 2 314.433 3.037 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628097 529988556 /nfs/dbraw/zinc/98/85/56/529988556.db2.gz NXZYEXXLJIFLFD-CABCVRRESA-N 2 2 314.433 3.037 20 0 DGADLP CN(Cc1cccc2[nH+]ccn21)C(C)(C)C[NH+]1CCCCCC1 ZINC000428484762 529997126 /nfs/dbraw/zinc/99/71/26/529997126.db2.gz QPRLEOQAFMMVMT-UHFFFAOYSA-N 2 2 314.477 3.421 20 0 DGADLP C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)CC(C)(C)C[NH3+] ZINC000430575302 530018596 /nfs/dbraw/zinc/01/85/96/530018596.db2.gz QFAXDPYZDNOYPC-UHFFFAOYSA-N 2 2 309.360 3.037 20 0 DGADLP C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)CC(C)(C)C[NH3+] ZINC000430575302 530018597 /nfs/dbraw/zinc/01/85/97/530018597.db2.gz QFAXDPYZDNOYPC-UHFFFAOYSA-N 2 2 309.360 3.037 20 0 DGADLP C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435619163 530018747 /nfs/dbraw/zinc/01/87/47/530018747.db2.gz WRGNHGVWBULTAQ-CQSZACIVSA-N 2 2 321.371 3.194 20 0 DGADLP C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435619163 530018748 /nfs/dbraw/zinc/01/87/48/530018748.db2.gz WRGNHGVWBULTAQ-CQSZACIVSA-N 2 2 321.371 3.194 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975246 530059768 /nfs/dbraw/zinc/05/97/68/530059768.db2.gz MQRBGPNXLCKJRY-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975246 530059769 /nfs/dbraw/zinc/05/97/69/530059769.db2.gz MQRBGPNXLCKJRY-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975246 530059770 /nfs/dbraw/zinc/05/97/70/530059770.db2.gz MQRBGPNXLCKJRY-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975246 530059771 /nfs/dbraw/zinc/05/97/71/530059771.db2.gz MQRBGPNXLCKJRY-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666189 210072142 /nfs/dbraw/zinc/07/21/42/210072142.db2.gz SEMXENHGYSWRPS-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666189 210072145 /nfs/dbraw/zinc/07/21/45/210072145.db2.gz SEMXENHGYSWRPS-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666189 210072147 /nfs/dbraw/zinc/07/21/47/210072147.db2.gz SEMXENHGYSWRPS-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@H]2C1 ZINC000272666189 210072140 /nfs/dbraw/zinc/07/21/40/210072140.db2.gz SEMXENHGYSWRPS-XLIONFOSSA-N 2 2 307.441 3.275 20 0 DGADLP Oc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000130295459 432020200 /nfs/dbraw/zinc/02/02/00/432020200.db2.gz NRFWCWLMZKEAJU-LJQANCHMSA-N 2 2 323.440 3.029 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155703557 186104928 /nfs/dbraw/zinc/10/49/28/186104928.db2.gz BKZZXFJZFSLPNX-GFCCVEGCSA-N 2 2 313.430 3.061 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000164206353 186151804 /nfs/dbraw/zinc/15/18/04/186151804.db2.gz IBTHZCWFNBFQQM-IHRRRGAJSA-N 2 2 312.417 3.277 20 0 DGADLP COc1ccc(OC)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173869703 198261803 /nfs/dbraw/zinc/26/18/03/198261803.db2.gz ZPWFHFCFTCGFCE-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173869703 198261805 /nfs/dbraw/zinc/26/18/05/198261805.db2.gz ZPWFHFCFTCGFCE-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000132308643 432047305 /nfs/dbraw/zinc/04/73/05/432047305.db2.gz XWEWNSPZZRZPSM-WDSOQIARSA-N 3 2 309.542 3.207 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000132308643 432047306 /nfs/dbraw/zinc/04/73/06/432047306.db2.gz XWEWNSPZZRZPSM-WDSOQIARSA-N 3 2 309.542 3.207 20 0 DGADLP Fc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(F)c1F ZINC000067946145 432046909 /nfs/dbraw/zinc/04/69/09/432046909.db2.gz LHKVHYCYPODRNX-UHFFFAOYSA-N 2 2 321.346 3.258 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569754 192293264 /nfs/dbraw/zinc/29/32/64/192293264.db2.gz JNEAZNXDSYYXBG-KRWDZBQOSA-N 2 2 312.461 3.036 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569754 192293265 /nfs/dbraw/zinc/29/32/65/192293265.db2.gz JNEAZNXDSYYXBG-KRWDZBQOSA-N 2 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569754 192293269 /nfs/dbraw/zinc/29/32/69/192293269.db2.gz JNEAZNXDSYYXBG-KRWDZBQOSA-N 2 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569754 192293277 /nfs/dbraw/zinc/29/32/77/192293277.db2.gz JNEAZNXDSYYXBG-KRWDZBQOSA-N 2 2 312.461 3.036 20 0 DGADLP O=C(CC1CC[NH2+]CC1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000166485791 432061163 /nfs/dbraw/zinc/06/11/63/432061163.db2.gz IKMOOOIXJTXIQI-UHFFFAOYSA-N 2 2 311.385 3.202 20 0 DGADLP C[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000166512118 432061307 /nfs/dbraw/zinc/06/13/07/432061307.db2.gz KTGSMZGMSBCVIK-JTDSTZFVSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000166512118 432061311 /nfs/dbraw/zinc/06/13/11/432061311.db2.gz KTGSMZGMSBCVIK-JTDSTZFVSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167096688 432063995 /nfs/dbraw/zinc/06/39/95/432063995.db2.gz NJHOZYNCUFPBAX-JTQLQIEISA-N 2 2 301.287 3.219 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000133600082 432068304 /nfs/dbraw/zinc/06/83/04/432068304.db2.gz JWWPHWCRRVJIDH-KBRIMQKVSA-N 2 2 310.869 3.394 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617445 432069746 /nfs/dbraw/zinc/06/97/46/432069746.db2.gz NEYUKOXRWKNFFK-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617445 432069748 /nfs/dbraw/zinc/06/97/48/432069748.db2.gz NEYUKOXRWKNFFK-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](CC)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000133804734 432070508 /nfs/dbraw/zinc/07/05/08/432070508.db2.gz RXAHSXZTJLZPAC-RBUKOAKNSA-N 2 2 314.477 3.326 20 0 DGADLP Cc1ccn2c(CN3CCC[N@@H+](C4CCCC4)CC3)c[nH+]c2c1 ZINC000179769942 432070324 /nfs/dbraw/zinc/07/03/24/432070324.db2.gz MOHZFLCEKLLZIH-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccn2c(CN3CCC[N@H+](C4CCCC4)CC3)c[nH+]c2c1 ZINC000179769942 432070325 /nfs/dbraw/zinc/07/03/25/432070325.db2.gz MOHZFLCEKLLZIH-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP COCC[C@H](C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000179781992 199079756 /nfs/dbraw/zinc/07/97/56/199079756.db2.gz UNLVOXPHPCYUNW-AWEZNQCLSA-N 2 2 323.456 3.193 20 0 DGADLP c1coc(C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]2CCCO2)c1 ZINC000179838457 199086698 /nfs/dbraw/zinc/08/66/98/199086698.db2.gz CYAXKRAIDYCCOW-QGZVFWFLSA-N 2 2 311.385 3.109 20 0 DGADLP c1coc(C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]2CCCO2)c1 ZINC000179838457 199086700 /nfs/dbraw/zinc/08/67/00/199086700.db2.gz CYAXKRAIDYCCOW-QGZVFWFLSA-N 2 2 311.385 3.109 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000134089890 432074234 /nfs/dbraw/zinc/07/42/34/432074234.db2.gz IOJUVWBENTWGJM-FLXSYLCISA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000134089890 432074235 /nfs/dbraw/zinc/07/42/35/432074235.db2.gz IOJUVWBENTWGJM-FLXSYLCISA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000134089890 432074236 /nfs/dbraw/zinc/07/42/36/432074236.db2.gz IOJUVWBENTWGJM-FLXSYLCISA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000134089890 432074237 /nfs/dbraw/zinc/07/42/37/432074237.db2.gz IOJUVWBENTWGJM-FLXSYLCISA-N 3 2 309.542 3.061 20 0 DGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000179878276 199090432 /nfs/dbraw/zinc/09/04/32/199090432.db2.gz MVWSKXLIKVHEEY-SJLPKXTDSA-N 2 2 302.462 3.359 20 0 DGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000179878276 199090433 /nfs/dbraw/zinc/09/04/33/199090433.db2.gz MVWSKXLIKVHEEY-SJLPKXTDSA-N 2 2 302.462 3.359 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045437 199111509 /nfs/dbraw/zinc/11/15/09/199111509.db2.gz NFMRBJGNQJSQKT-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045437 199111511 /nfs/dbraw/zinc/11/15/11/199111511.db2.gz NFMRBJGNQJSQKT-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045437 199111513 /nfs/dbraw/zinc/11/15/13/199111513.db2.gz NFMRBJGNQJSQKT-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045437 199111514 /nfs/dbraw/zinc/11/15/14/199111514.db2.gz NFMRBJGNQJSQKT-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000180717699 199200999 /nfs/dbraw/zinc/20/09/99/199200999.db2.gz OTSFUZQBSNEKON-HOCLYGCPSA-N 2 2 311.385 3.015 20 0 DGADLP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000180717699 199201000 /nfs/dbraw/zinc/20/10/00/199201000.db2.gz OTSFUZQBSNEKON-HOCLYGCPSA-N 2 2 311.385 3.015 20 0 DGADLP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC000415096592 237075552 /nfs/dbraw/zinc/07/55/52/237075552.db2.gz BPNVHXXCWWACRK-OAHLLOKOSA-N 2 2 312.379 3.469 20 0 DGADLP c1cn(Cc2ccc(C[NH2+]Cc3cccc4c3NCC4)cc2)c[nH+]1 ZINC000415075237 237054763 /nfs/dbraw/zinc/05/47/63/237054763.db2.gz BEFNLPRGMAKQSK-UHFFFAOYSA-N 2 2 318.424 3.189 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)sc1C ZINC000415083186 237063518 /nfs/dbraw/zinc/06/35/18/237063518.db2.gz PJILYCGKFSCLBQ-HOTGVXAUSA-N 2 2 301.459 3.343 20 0 DGADLP Fc1ccccc1OC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415086874 237069361 /nfs/dbraw/zinc/06/93/61/237069361.db2.gz VFGKQCBXSGMNPC-AEFFLSMTSA-N 2 2 314.404 3.287 20 0 DGADLP CSCCCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186776815 200008318 /nfs/dbraw/zinc/00/83/18/200008318.db2.gz RNJFICHXOWUTNP-UHFFFAOYSA-N 2 2 307.507 3.169 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)C1CCCCC1 ZINC000414852432 283454443 /nfs/dbraw/zinc/45/44/43/283454443.db2.gz RCMWLKAOSUATPB-CYBMUJFWSA-N 2 2 301.356 3.098 20 0 DGADLP Fc1ccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187868250 200168842 /nfs/dbraw/zinc/16/88/42/200168842.db2.gz HJGOTFFIBHDSOS-MRXNPFEDSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1ccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187868250 200168843 /nfs/dbraw/zinc/16/88/43/200168843.db2.gz HJGOTFFIBHDSOS-MRXNPFEDSA-N 2 2 323.799 3.139 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)[nH+]1 ZINC000180414868 432086245 /nfs/dbraw/zinc/08/62/45/432086245.db2.gz KFNBRIILQUYDEV-FQEVSTJZSA-N 2 2 319.408 3.008 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)[nH+]1 ZINC000180414868 432086246 /nfs/dbraw/zinc/08/62/46/432086246.db2.gz KFNBRIILQUYDEV-FQEVSTJZSA-N 2 2 319.408 3.008 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134874850 432087715 /nfs/dbraw/zinc/08/77/15/432087715.db2.gz RKQCVWQPMVJYBY-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134874850 432087719 /nfs/dbraw/zinc/08/77/19/432087719.db2.gz RKQCVWQPMVJYBY-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134874850 432087720 /nfs/dbraw/zinc/08/77/20/432087720.db2.gz RKQCVWQPMVJYBY-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134874850 432087721 /nfs/dbraw/zinc/08/77/21/432087721.db2.gz RKQCVWQPMVJYBY-CRAIPNDOSA-N 2 2 318.436 3.283 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422752191 237794701 /nfs/dbraw/zinc/79/47/01/237794701.db2.gz ASOGCNYXUVUQNO-HSALFYBXSA-N 2 2 324.472 3.273 20 0 DGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1F ZINC000423086658 237822807 /nfs/dbraw/zinc/82/28/07/237822807.db2.gz NQVCLUCJSYUDDJ-BIGNPOOSSA-N 2 2 316.342 3.253 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000423116563 237825612 /nfs/dbraw/zinc/82/56/12/237825612.db2.gz QKVZDQRPHZHPCO-GHMZBOCLSA-N 2 2 303.269 3.260 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1OCc1ccccc1 ZINC000423440001 237850070 /nfs/dbraw/zinc/85/00/70/237850070.db2.gz SSCSKCPPYYJJCB-FEUVXWNVSA-N 2 2 308.425 3.134 20 0 DGADLP O[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000189311488 200380207 /nfs/dbraw/zinc/38/02/07/200380207.db2.gz DYCFGUPYOFSNLU-RHSMWYFYSA-N 2 2 322.880 3.055 20 0 DGADLP FC(F)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856940 238003990 /nfs/dbraw/zinc/00/39/90/238003990.db2.gz PAVZKMUDNSZSFA-LSDHHAIUSA-N 2 2 305.372 3.054 20 0 DGADLP CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427885297 238004571 /nfs/dbraw/zinc/00/45/71/238004571.db2.gz IUABRUWBDLMPOU-UKRRQHHQSA-N 2 2 301.459 3.141 20 0 DGADLP COC1(C[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000429416551 238051146 /nfs/dbraw/zinc/05/11/46/238051146.db2.gz LHQHDEWPPDEFND-INIZCTEOSA-N 2 2 313.445 3.369 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430562742 238079651 /nfs/dbraw/zinc/07/96/51/238079651.db2.gz GCAMHVCLEXXTOE-DGCLKSJQSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430562742 238079652 /nfs/dbraw/zinc/07/96/52/238079652.db2.gz GCAMHVCLEXXTOE-DGCLKSJQSA-N 2 2 305.447 3.271 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1ccc(Cl)cc1Br)C1CC1 ZINC000430579988 238080733 /nfs/dbraw/zinc/08/07/33/238080733.db2.gz GZMVCBYLURKMCW-CYBMUJFWSA-N 2 2 317.658 3.320 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000430584907 238080834 /nfs/dbraw/zinc/08/08/34/238080834.db2.gz PRLQPTWJNUBDMP-INIZCTEOSA-N 2 2 305.809 3.212 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430615444 238081680 /nfs/dbraw/zinc/08/16/80/238081680.db2.gz CAIHLDKXNDDGOJ-LJQANCHMSA-N 2 2 323.440 3.252 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430615444 238081681 /nfs/dbraw/zinc/08/16/81/238081681.db2.gz CAIHLDKXNDDGOJ-LJQANCHMSA-N 2 2 323.440 3.252 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650348 238082434 /nfs/dbraw/zinc/08/24/34/238082434.db2.gz UTOLARVJVPPFRJ-VQIMIIECSA-N 2 2 323.440 3.037 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650348 238082435 /nfs/dbraw/zinc/08/24/35/238082435.db2.gz UTOLARVJVPPFRJ-VQIMIIECSA-N 2 2 323.440 3.037 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000430876579 238088972 /nfs/dbraw/zinc/08/89/72/238088972.db2.gz RJNWRVJYDNKVDL-JKSUJKDBSA-N 2 2 312.417 3.313 20 0 DGADLP c1cn(Cc2ccccc2)c(CN2CC[NH2+]Cc3ccccc32)[nH+]1 ZINC000430945660 238090513 /nfs/dbraw/zinc/09/05/13/238090513.db2.gz SCRBOHNULHSBTN-UHFFFAOYSA-N 2 2 318.424 3.041 20 0 DGADLP CSC1(C[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000434989660 238261841 /nfs/dbraw/zinc/26/18/41/238261841.db2.gz BSWLLILBEJIPBG-NVXWUHKLSA-N 2 2 304.503 3.382 20 0 DGADLP CSC1(C[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434989660 238261847 /nfs/dbraw/zinc/26/18/47/238261847.db2.gz BSWLLILBEJIPBG-NVXWUHKLSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000435421193 238302544 /nfs/dbraw/zinc/30/25/44/238302544.db2.gz GRVRTBWYSJQGRB-CYBMUJFWSA-N 2 2 307.488 3.125 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000435421193 238302546 /nfs/dbraw/zinc/30/25/46/238302546.db2.gz GRVRTBWYSJQGRB-CYBMUJFWSA-N 2 2 307.488 3.125 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000193158453 201000512 /nfs/dbraw/zinc/00/05/12/201000512.db2.gz ZMKCWKBHRBDIJF-OAHLLOKOSA-N 2 2 320.234 3.313 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(Br)cs1 ZINC000193995050 201158529 /nfs/dbraw/zinc/15/85/29/201158529.db2.gz VYSIGVRMXZZVHG-GXSJLCMTSA-N 2 2 303.269 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(Br)cs1 ZINC000193995050 201158533 /nfs/dbraw/zinc/15/85/33/201158533.db2.gz VYSIGVRMXZZVHG-GXSJLCMTSA-N 2 2 303.269 3.255 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000193992252 201159209 /nfs/dbraw/zinc/15/92/09/201159209.db2.gz CPXMLRVSJLDFGV-NZSAHSFTSA-N 2 2 323.440 3.310 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000193950390 201151487 /nfs/dbraw/zinc/15/14/87/201151487.db2.gz KHNCNMUUCXVTLV-SECBINFHSA-N 2 2 303.269 3.255 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)s2)cc1 ZINC000194534474 201246550 /nfs/dbraw/zinc/24/65/50/201246550.db2.gz CEWUBDMILFDPGG-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)s2)cc1 ZINC000194534474 201246553 /nfs/dbraw/zinc/24/65/53/201246553.db2.gz CEWUBDMILFDPGG-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)s2)cc1 ZINC000194534474 201246554 /nfs/dbraw/zinc/24/65/54/201246554.db2.gz CEWUBDMILFDPGG-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)s2)cc1 ZINC000194534474 201246557 /nfs/dbraw/zinc/24/65/57/201246557.db2.gz CEWUBDMILFDPGG-IYBDPMFKSA-N 2 2 313.470 3.112 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442755015 239117694 /nfs/dbraw/zinc/11/76/94/239117694.db2.gz JGGVHQPJRPAGGA-KBPBESRZSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442755015 239117700 /nfs/dbraw/zinc/11/77/00/239117700.db2.gz JGGVHQPJRPAGGA-KBPBESRZSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21)N(C)C ZINC000442989375 239160937 /nfs/dbraw/zinc/16/09/37/239160937.db2.gz JUWBFBXFHHOENV-UZLBHIALSA-N 2 2 322.456 3.424 20 0 DGADLP c1cc(CNc2cc[nH+]c3ccncc23)cc(C[NH+]2CCCC2)c1 ZINC000444107538 239257800 /nfs/dbraw/zinc/25/78/00/239257800.db2.gz SQQXIXIILZMDFW-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCO[C@H]21 ZINC000246165208 432102215 /nfs/dbraw/zinc/10/22/15/432102215.db2.gz MEQOHQRJDVKERU-RCCFBDPRSA-N 2 2 311.429 3.166 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000449230123 240079336 /nfs/dbraw/zinc/07/93/36/240079336.db2.gz HSSOQBQYFMRJQR-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000449230123 240079338 /nfs/dbraw/zinc/07/93/38/240079338.db2.gz HSSOQBQYFMRJQR-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000449228017 240080558 /nfs/dbraw/zinc/08/05/58/240080558.db2.gz RLXLTJULZPJUFC-WMZOPIPTSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000449228017 240080561 /nfs/dbraw/zinc/08/05/61/240080561.db2.gz RLXLTJULZPJUFC-WMZOPIPTSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000449228017 240080565 /nfs/dbraw/zinc/08/05/65/240080565.db2.gz RLXLTJULZPJUFC-WMZOPIPTSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000449228017 240080570 /nfs/dbraw/zinc/08/05/70/240080570.db2.gz RLXLTJULZPJUFC-WMZOPIPTSA-N 2 2 302.462 3.247 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CCC1 ZINC000449340874 240144036 /nfs/dbraw/zinc/14/40/36/240144036.db2.gz QSPVFFVCBPOMKK-UHFFFAOYSA-N 2 2 317.776 3.347 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394790 240175420 /nfs/dbraw/zinc/17/54/20/240175420.db2.gz GRLBSXCCTWOTHU-MJGOQNOKSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394790 240175424 /nfs/dbraw/zinc/17/54/24/240175424.db2.gz GRLBSXCCTWOTHU-MJGOQNOKSA-N 2 2 323.484 3.469 20 0 DGADLP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000449405060 240179991 /nfs/dbraw/zinc/17/99/91/240179991.db2.gz WXSWWDAVHOKJSY-OCCSQVGLSA-N 2 2 310.404 3.054 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000449485046 240235486 /nfs/dbraw/zinc/23/54/86/240235486.db2.gz KMMHPYNFVYMRNG-NWDGAFQWSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000449485046 240235494 /nfs/dbraw/zinc/23/54/94/240235494.db2.gz KMMHPYNFVYMRNG-NWDGAFQWSA-N 2 2 312.816 3.073 20 0 DGADLP Fc1ccccc1OC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000171132766 432105191 /nfs/dbraw/zinc/10/51/91/432105191.db2.gz OMKKUMGRQPLRRK-KRWDZBQOSA-N 2 2 311.360 3.459 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449542858 240275750 /nfs/dbraw/zinc/27/57/50/240275750.db2.gz RKJKQOQTEBORKP-RBUKOAKNSA-N 2 2 311.429 3.228 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560580 240290682 /nfs/dbraw/zinc/29/06/82/240290682.db2.gz MXTDBHCFLJEGDZ-VNVJMFPYSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560580 240290687 /nfs/dbraw/zinc/29/06/87/240290687.db2.gz MXTDBHCFLJEGDZ-VNVJMFPYSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCCC1 ZINC000171141750 432106005 /nfs/dbraw/zinc/10/60/05/432106005.db2.gz LPRLZICJWRBVTR-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP Cc1ccc([C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CC2)cc1 ZINC000091339311 193043809 /nfs/dbraw/zinc/04/38/09/193043809.db2.gz OCADOZZCQMXJDY-GOSISDBHSA-N 2 2 302.462 3.147 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000180960171 432107346 /nfs/dbraw/zinc/10/73/46/432107346.db2.gz NZSGUGPOZZOEPM-MRXNPFEDSA-N 2 2 313.445 3.415 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000450711468 240830030 /nfs/dbraw/zinc/83/00/30/240830030.db2.gz FDVGEKSAVWFYDL-AWEZNQCLSA-N 2 2 310.511 3.433 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043829 193146509 /nfs/dbraw/zinc/14/65/09/193146509.db2.gz HHKWQWHHXQHICM-UYAOXDASSA-N 2 2 324.472 3.205 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043829 193146511 /nfs/dbraw/zinc/14/65/11/193146511.db2.gz HHKWQWHHXQHICM-UYAOXDASSA-N 2 2 324.472 3.205 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043829 193146512 /nfs/dbraw/zinc/14/65/12/193146512.db2.gz HHKWQWHHXQHICM-UYAOXDASSA-N 2 2 324.472 3.205 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043829 193146514 /nfs/dbraw/zinc/14/65/14/193146514.db2.gz HHKWQWHHXQHICM-UYAOXDASSA-N 2 2 324.472 3.205 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451812515 241242647 /nfs/dbraw/zinc/24/26/47/241242647.db2.gz QXPVIMSVKNYZBH-GOSISDBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451812515 241242650 /nfs/dbraw/zinc/24/26/50/241242650.db2.gz QXPVIMSVKNYZBH-GOSISDBHSA-N 2 2 313.445 3.164 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1OC(F)F ZINC000424379560 299369953 /nfs/dbraw/zinc/36/99/53/299369953.db2.gz VPPWOFUZAIMNRR-ZWKOPEQDSA-N 2 2 302.340 3.348 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000455505493 242219631 /nfs/dbraw/zinc/21/96/31/242219631.db2.gz XFOCWPMZXZEWDH-GOEBONIOSA-N 2 2 318.465 3.343 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000455505493 242219634 /nfs/dbraw/zinc/21/96/34/242219634.db2.gz XFOCWPMZXZEWDH-GOEBONIOSA-N 2 2 318.465 3.343 20 0 DGADLP FC(F)(F)c1ccnc(CC[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000293067409 223380655 /nfs/dbraw/zinc/38/06/55/223380655.db2.gz VETPCYDDVRWYBW-UHFFFAOYSA-N 2 2 320.318 3.080 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)C2CC[NH+](CCC)CC2)c1C ZINC000092165337 193169888 /nfs/dbraw/zinc/16/98/88/193169888.db2.gz NNWMWOFVCHCOIZ-UHFFFAOYSA-N 2 2 306.498 3.216 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)C2CC[NH+](CCC)CC2)c1C ZINC000092165337 193169889 /nfs/dbraw/zinc/16/98/89/193169889.db2.gz NNWMWOFVCHCOIZ-UHFFFAOYSA-N 2 2 306.498 3.216 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)s2)o1 ZINC000092253904 193180875 /nfs/dbraw/zinc/18/08/75/193180875.db2.gz LPUMOGQBFPBKJO-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)s2)o1 ZINC000092253904 193180876 /nfs/dbraw/zinc/18/08/76/193180876.db2.gz LPUMOGQBFPBKJO-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)s2)o1 ZINC000092253904 193180878 /nfs/dbraw/zinc/18/08/78/193180878.db2.gz LPUMOGQBFPBKJO-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)s2)o1 ZINC000092253904 193180879 /nfs/dbraw/zinc/18/08/79/193180879.db2.gz LPUMOGQBFPBKJO-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CC3CCC(F)(F)CC3)CC2)c1 ZINC000459360426 243348402 /nfs/dbraw/zinc/34/84/02/243348402.db2.gz HUCFOIVLODJZSN-UHFFFAOYSA-N 2 2 309.404 3.338 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000109786060 284070096 /nfs/dbraw/zinc/07/00/96/284070096.db2.gz OWLSDTBXEUQCGS-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000109786060 284070098 /nfs/dbraw/zinc/07/00/98/284070098.db2.gz OWLSDTBXEUQCGS-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468510684 244047397 /nfs/dbraw/zinc/04/73/97/244047397.db2.gz HKBRYQGOGIAHSG-BWPNAZKDSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468510684 244047403 /nfs/dbraw/zinc/04/74/03/244047403.db2.gz HKBRYQGOGIAHSG-BWPNAZKDSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468511876 244047807 /nfs/dbraw/zinc/04/78/07/244047807.db2.gz VOJBBBZOVWCISN-RSPOEFSDSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468511876 244047811 /nfs/dbraw/zinc/04/78/11/244047811.db2.gz VOJBBBZOVWCISN-RSPOEFSDSA-N 2 2 316.489 3.302 20 0 DGADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000261835043 203128838 /nfs/dbraw/zinc/12/88/38/203128838.db2.gz UMKQHXCTVXZAFW-TZMCWYRMSA-N 2 2 312.417 3.144 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1Br ZINC000469059867 244083879 /nfs/dbraw/zinc/08/38/79/244083879.db2.gz VOCQGRVBONYZPX-GXTWGEPZSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1Br ZINC000469059867 244083882 /nfs/dbraw/zinc/08/38/82/244083882.db2.gz VOCQGRVBONYZPX-GXTWGEPZSA-N 2 2 311.267 3.187 20 0 DGADLP Fc1ccc(/C=C/C[NH+]2CCC([NH2+]CC3CC3)CC2)c(F)c1 ZINC000470021383 244140031 /nfs/dbraw/zinc/14/00/31/244140031.db2.gz VGORNLYOMLVOSF-OWOJBTEDSA-N 2 2 306.400 3.442 20 0 DGADLP Fc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995369 244202637 /nfs/dbraw/zinc/20/26/37/244202637.db2.gz OORVTXWXYCMVMR-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995369 244202638 /nfs/dbraw/zinc/20/26/38/244202638.db2.gz OORVTXWXYCMVMR-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995369 244202643 /nfs/dbraw/zinc/20/26/43/244202643.db2.gz OORVTXWXYCMVMR-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995369 244202645 /nfs/dbraw/zinc/20/26/45/244202645.db2.gz OORVTXWXYCMVMR-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000474091400 244368694 /nfs/dbraw/zinc/36/86/94/244368694.db2.gz WTHRPMBTYPSAIZ-DNVCBOLYSA-N 2 2 302.462 3.356 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000474091400 244368700 /nfs/dbraw/zinc/36/87/00/244368700.db2.gz WTHRPMBTYPSAIZ-DNVCBOLYSA-N 2 2 302.462 3.356 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2[nH+]1 ZINC000262340345 203266972 /nfs/dbraw/zinc/26/69/72/203266972.db2.gz GVRVRECKFMZVGD-STQMWFEESA-N 2 2 314.433 3.232 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000093683579 193288808 /nfs/dbraw/zinc/28/88/08/193288808.db2.gz FSFFDBPTGUVNIH-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000093683579 193288810 /nfs/dbraw/zinc/28/88/10/193288810.db2.gz FSFFDBPTGUVNIH-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093692774 193290626 /nfs/dbraw/zinc/29/06/26/193290626.db2.gz XWZDAYNUQAESLF-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093692774 193290627 /nfs/dbraw/zinc/29/06/27/193290627.db2.gz XWZDAYNUQAESLF-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770714 193302350 /nfs/dbraw/zinc/30/23/50/193302350.db2.gz AWOCZFZILXHOLD-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770714 193302352 /nfs/dbraw/zinc/30/23/52/193302352.db2.gz AWOCZFZILXHOLD-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770714 193302354 /nfs/dbraw/zinc/30/23/54/193302354.db2.gz AWOCZFZILXHOLD-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770714 193302356 /nfs/dbraw/zinc/30/23/56/193302356.db2.gz AWOCZFZILXHOLD-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP CC[N@@H+](Cc1c[nH]nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818863 193312691 /nfs/dbraw/zinc/31/26/91/193312691.db2.gz WDOVZZWERAHMMY-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1c[nH]nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818863 193312693 /nfs/dbraw/zinc/31/26/93/193312693.db2.gz WDOVZZWERAHMMY-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1c[nH]nc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818863 193312694 /nfs/dbraw/zinc/31/26/94/193312694.db2.gz WDOVZZWERAHMMY-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1c[nH]nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818863 193312696 /nfs/dbraw/zinc/31/26/96/193312696.db2.gz WDOVZZWERAHMMY-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP C[C@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000094342285 193362898 /nfs/dbraw/zinc/36/28/98/193362898.db2.gz MZBSTVYNAMFWMS-NHYWBVRUSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000094342285 193362900 /nfs/dbraw/zinc/36/29/00/193362900.db2.gz MZBSTVYNAMFWMS-NHYWBVRUSA-N 2 2 305.809 3.164 20 0 DGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[NH+]1CCCCC1 ZINC000120968615 284183469 /nfs/dbraw/zinc/18/34/69/284183469.db2.gz YBLPISAPECGHEE-BBWFWOEESA-N 2 2 306.494 3.188 20 0 DGADLP CCCCOCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121014964 284185325 /nfs/dbraw/zinc/18/53/25/284185325.db2.gz XFKBSVVVZRBUIX-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP CCCCOCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121014964 284185326 /nfs/dbraw/zinc/18/53/26/284185326.db2.gz XFKBSVVVZRBUIX-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486961039 245004753 /nfs/dbraw/zinc/00/47/53/245004753.db2.gz BFXJJDACCIGHSA-BTZGUFSASA-N 2 2 307.441 3.349 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486961039 245004760 /nfs/dbraw/zinc/00/47/60/245004760.db2.gz BFXJJDACCIGHSA-BTZGUFSASA-N 2 2 307.441 3.349 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000486959925 245005488 /nfs/dbraw/zinc/00/54/88/245005488.db2.gz XFKBQUKDMMIWCN-CYBMUJFWSA-N 2 2 307.825 3.361 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000487272244 245042977 /nfs/dbraw/zinc/04/29/77/245042977.db2.gz LQPLPLMCHJWYMD-BLLLJJGKSA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000487272244 245042981 /nfs/dbraw/zinc/04/29/81/245042981.db2.gz LQPLPLMCHJWYMD-BLLLJJGKSA-N 2 2 308.853 3.311 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000487270147 245043551 /nfs/dbraw/zinc/04/35/51/245043551.db2.gz FVLMHGJJDVBDAK-CWWFIGIMSA-N 2 2 307.441 3.349 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000487270147 245043554 /nfs/dbraw/zinc/04/35/54/245043554.db2.gz FVLMHGJJDVBDAK-CWWFIGIMSA-N 2 2 307.441 3.349 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000487337438 245051574 /nfs/dbraw/zinc/05/15/74/245051574.db2.gz UMSXEGUTXMRLIJ-HMEHFPCLSA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487337438 245051579 /nfs/dbraw/zinc/05/15/79/245051579.db2.gz UMSXEGUTXMRLIJ-HMEHFPCLSA-N 2 2 307.441 3.347 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487924756 245123635 /nfs/dbraw/zinc/12/36/35/245123635.db2.gz YYBIOQSAPLAADA-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000487924756 245123638 /nfs/dbraw/zinc/12/36/38/245123638.db2.gz YYBIOQSAPLAADA-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000487924756 245123641 /nfs/dbraw/zinc/12/36/41/245123641.db2.gz YYBIOQSAPLAADA-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000487924756 245123644 /nfs/dbraw/zinc/12/36/44/245123644.db2.gz YYBIOQSAPLAADA-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123339474 284236707 /nfs/dbraw/zinc/23/67/07/284236707.db2.gz WLQKRTGWDRIDFH-ROUUACIJSA-N 2 2 304.478 3.127 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123339474 284236711 /nfs/dbraw/zinc/23/67/11/284236711.db2.gz WLQKRTGWDRIDFH-ROUUACIJSA-N 2 2 304.478 3.127 20 0 DGADLP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711757 245221230 /nfs/dbraw/zinc/22/12/30/245221230.db2.gz IPMMLFXOHSWWES-IIAWOOMASA-N 2 2 302.466 3.075 20 0 DGADLP Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711757 245221235 /nfs/dbraw/zinc/22/12/35/245221235.db2.gz IPMMLFXOHSWWES-IIAWOOMASA-N 2 2 302.466 3.075 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080595 245379572 /nfs/dbraw/zinc/37/95/72/245379572.db2.gz OKKALHQGTSCQNR-ZJUUUORDSA-N 2 2 307.385 3.297 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080595 245379577 /nfs/dbraw/zinc/37/95/77/245379577.db2.gz OKKALHQGTSCQNR-ZJUUUORDSA-N 2 2 307.385 3.297 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080593 245380333 /nfs/dbraw/zinc/38/03/33/245380333.db2.gz OKKALHQGTSCQNR-UWVGGRQHSA-N 2 2 307.385 3.297 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080593 245380336 /nfs/dbraw/zinc/38/03/36/245380336.db2.gz OKKALHQGTSCQNR-UWVGGRQHSA-N 2 2 307.385 3.297 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)no1 ZINC000282596419 217114387 /nfs/dbraw/zinc/11/43/87/217114387.db2.gz XNEZHJCWESWJPG-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)no1 ZINC000282596419 217114389 /nfs/dbraw/zinc/11/43/89/217114389.db2.gz XNEZHJCWESWJPG-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126652214 284312390 /nfs/dbraw/zinc/31/23/90/284312390.db2.gz JVNOBYGDYCGKAS-UONOGXRCSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126652214 284312393 /nfs/dbraw/zinc/31/23/93/284312393.db2.gz JVNOBYGDYCGKAS-UONOGXRCSA-N 2 2 314.351 3.302 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000282616022 217127887 /nfs/dbraw/zinc/12/78/87/217127887.db2.gz ZKADQUTWBDUKHP-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000282616022 217127889 /nfs/dbraw/zinc/12/78/89/217127889.db2.gz ZKADQUTWBDUKHP-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP OCCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccccc21 ZINC000271710992 209146769 /nfs/dbraw/zinc/14/67/69/209146769.db2.gz AZAYUGQCWREAIT-LJQANCHMSA-N 2 2 313.445 3.035 20 0 DGADLP OCCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccccc21 ZINC000271710992 209146772 /nfs/dbraw/zinc/14/67/72/209146772.db2.gz AZAYUGQCWREAIT-LJQANCHMSA-N 2 2 313.445 3.035 20 0 DGADLP COc1ccc([C@H](CNc2cc[nH+]c(C)n2)[NH+]2CCCC2)cc1 ZINC000266155266 205143563 /nfs/dbraw/zinc/14/35/63/205143563.db2.gz LPGPYSMKHLOZHO-KRWDZBQOSA-N 2 2 312.417 3.043 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000246412815 432129361 /nfs/dbraw/zinc/12/93/61/432129361.db2.gz QVARUAVTIPTXRN-GOEBONIOSA-N 2 2 300.450 3.053 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000246412815 432129363 /nfs/dbraw/zinc/12/93/63/432129363.db2.gz QVARUAVTIPTXRN-GOEBONIOSA-N 2 2 300.450 3.053 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC)c(OC)c1 ZINC000268769596 432131429 /nfs/dbraw/zinc/13/14/29/432131429.db2.gz LCUQHXPJMCRXRM-GVDBMIGSSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC)c(OC)c1 ZINC000268769596 432131432 /nfs/dbraw/zinc/13/14/32/432131432.db2.gz LCUQHXPJMCRXRM-GVDBMIGSSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)o1 ZINC000019912980 182163691 /nfs/dbraw/zinc/16/36/91/182163691.db2.gz AZRWERODTUVMAK-LBPRGKRZSA-N 2 2 315.255 3.396 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)o1 ZINC000019912980 182163692 /nfs/dbraw/zinc/16/36/92/182163692.db2.gz AZRWERODTUVMAK-LBPRGKRZSA-N 2 2 315.255 3.396 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781992 432133224 /nfs/dbraw/zinc/13/32/24/432133224.db2.gz PZPDGBSZDZFEHO-USXIJHARSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCCO2 ZINC000268781992 432133225 /nfs/dbraw/zinc/13/32/25/432133225.db2.gz PZPDGBSZDZFEHO-USXIJHARSA-N 2 2 316.445 3.125 20 0 DGADLP Cc1nc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000021057671 182263755 /nfs/dbraw/zinc/26/37/55/182263755.db2.gz YCYFJPBBLLCWOI-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCc4ccccc4OC3)c2)c[nH+]1 ZINC000493896252 246093975 /nfs/dbraw/zinc/09/39/75/246093975.db2.gz FBSUUXDPACBMPV-GOSISDBHSA-N 2 2 319.408 3.356 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000494401980 246142845 /nfs/dbraw/zinc/14/28/45/246142845.db2.gz CJLNGUZLKOVFEV-ZDUSSCGKSA-N 2 2 320.234 3.059 20 0 DGADLP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000494410964 246144043 /nfs/dbraw/zinc/14/40/43/246144043.db2.gz MLQZMXPOOPOJDZ-CYBMUJFWSA-N 2 2 311.360 3.387 20 0 DGADLP Clc1oc2ccccc2c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494408252 246144960 /nfs/dbraw/zinc/14/49/60/246144960.db2.gz WQYWBFQUAZVLAB-NSHDSACASA-N 2 2 301.777 3.387 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(Oc3ccccc3)o1)CC2 ZINC000494409100 246145239 /nfs/dbraw/zinc/14/52/39/246145239.db2.gz AWKLLSDHICVDCO-CQSZACIVSA-N 2 2 309.369 3.373 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CC2 ZINC000494412070 246145485 /nfs/dbraw/zinc/14/54/85/246145485.db2.gz KGZCRJSJEHEQDC-CQSZACIVSA-N 2 2 310.426 3.111 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268788062 432134515 /nfs/dbraw/zinc/13/45/15/432134515.db2.gz CEUXGOZVGNUQGV-CABCVRRESA-N 3 2 309.417 3.117 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH+]3CCC(C)CC3)c2C1 ZINC000135827245 432138429 /nfs/dbraw/zinc/13/84/29/432138429.db2.gz SJQPCLANHRUDOE-UHFFFAOYSA-N 2 2 315.461 3.083 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268818550 432140385 /nfs/dbraw/zinc/14/03/85/432140385.db2.gz GYEFQASKNGYLHW-LIRRHRJNSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268818550 432140390 /nfs/dbraw/zinc/14/03/90/432140390.db2.gz GYEFQASKNGYLHW-LIRRHRJNSA-N 2 2 313.445 3.292 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261585028 296237433 /nfs/dbraw/zinc/23/74/33/296237433.db2.gz SUDGKNBFPHYHJU-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261585028 296237435 /nfs/dbraw/zinc/23/74/35/296237435.db2.gz SUDGKNBFPHYHJU-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000268827165 432142463 /nfs/dbraw/zinc/14/24/63/432142463.db2.gz ZGPQWGSPMUGOMD-ZBFHGGJFSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268827165 432142466 /nfs/dbraw/zinc/14/24/66/432142466.db2.gz ZGPQWGSPMUGOMD-ZBFHGGJFSA-N 2 2 301.459 3.286 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(Br)cc1F ZINC000036668038 182833885 /nfs/dbraw/zinc/83/38/85/182833885.db2.gz GDNJDWDUFZMMPM-UHFFFAOYSA-N 2 2 317.246 3.410 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000181742476 432143376 /nfs/dbraw/zinc/14/33/76/432143376.db2.gz KJZDBRCEVCMGKL-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000181742476 432143381 /nfs/dbraw/zinc/14/33/81/432143381.db2.gz KJZDBRCEVCMGKL-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000041119645 183166728 /nfs/dbraw/zinc/16/67/28/183166728.db2.gz PTORPIITVNHETC-CQSZACIVSA-N 2 2 308.223 3.387 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1F ZINC000042427244 183269310 /nfs/dbraw/zinc/26/93/10/183269310.db2.gz ACDKJJFUUYAYGY-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1F ZINC000042427244 183269311 /nfs/dbraw/zinc/26/93/11/183269311.db2.gz ACDKJJFUUYAYGY-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285353044 218394045 /nfs/dbraw/zinc/39/40/45/218394045.db2.gz BAVVHHMZODWYPQ-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285353044 218394046 /nfs/dbraw/zinc/39/40/46/218394046.db2.gz BAVVHHMZODWYPQ-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cc(Cl)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285353044 218394048 /nfs/dbraw/zinc/39/40/48/218394048.db2.gz BAVVHHMZODWYPQ-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cc(Cl)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285353044 218394050 /nfs/dbraw/zinc/39/40/50/218394050.db2.gz BAVVHHMZODWYPQ-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422734626 284823529 /nfs/dbraw/zinc/82/35/29/284823529.db2.gz UJWWDCSNQLDRMH-NKELODKYSA-N 3 2 303.494 3.177 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268840567 207005576 /nfs/dbraw/zinc/00/55/76/207005576.db2.gz UEYPRWZKXMWGRD-GRDNDAEWSA-N 2 2 318.461 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268840567 207005580 /nfs/dbraw/zinc/00/55/80/207005580.db2.gz UEYPRWZKXMWGRD-GRDNDAEWSA-N 2 2 318.461 3.146 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864894 207034800 /nfs/dbraw/zinc/03/48/00/207034800.db2.gz FFMPVWBTMFETTI-UTKZUKDTSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864894 207034804 /nfs/dbraw/zinc/03/48/04/207034804.db2.gz FFMPVWBTMFETTI-UTKZUKDTSA-N 2 2 323.484 3.250 20 0 DGADLP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268890583 207061137 /nfs/dbraw/zinc/06/11/37/207061137.db2.gz NYKRPRCBXNSYCT-GOSISDBHSA-N 2 2 324.896 3.445 20 0 DGADLP CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268911018 207080010 /nfs/dbraw/zinc/08/00/10/207080010.db2.gz MVOSOZFDJLBFAM-RDTXWAMCSA-N 2 2 301.434 3.320 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCOC3(CCC3)C2)n1-c1ccccc1 ZINC000268968738 207133621 /nfs/dbraw/zinc/13/36/21/207133621.db2.gz LXCWPWCXFJPYEV-INIZCTEOSA-N 2 2 311.429 3.372 20 0 DGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000269010504 207162654 /nfs/dbraw/zinc/16/26/54/207162654.db2.gz XFMAWNDJDIIQAH-IAGOWNOFSA-N 2 2 308.491 3.173 20 0 DGADLP C[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269121915 207256574 /nfs/dbraw/zinc/25/65/74/207256574.db2.gz FWLFGHAMRYXPNF-PBHICJAKSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)C[NH+]1CCOCC1 ZINC000248660034 285015668 /nfs/dbraw/zinc/01/56/68/285015668.db2.gz ZBJFKLIDBZYIKO-NZSAHSFTSA-N 2 2 316.489 3.127 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCOC[C@H]2C)c2ccccc2)CC1 ZINC000248825011 285028157 /nfs/dbraw/zinc/02/81/57/285028157.db2.gz COONDGKHDNGNBE-MISYRCLQSA-N 2 2 316.489 3.474 20 0 DGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cn2c1 ZINC000268864108 252786237 /nfs/dbraw/zinc/78/62/37/252786237.db2.gz KDQXIKKBJBSZFL-UHFFFAOYSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838887 195045930 /nfs/dbraw/zinc/04/59/30/195045930.db2.gz FCNPNKOEYSTCRY-QAPCUYQASA-N 2 2 324.428 3.175 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119838887 195045932 /nfs/dbraw/zinc/04/59/32/195045932.db2.gz FCNPNKOEYSTCRY-QAPCUYQASA-N 2 2 324.428 3.175 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000249001126 285044737 /nfs/dbraw/zinc/04/47/37/285044737.db2.gz MZYYTAJFNIEWAC-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000249001126 285044740 /nfs/dbraw/zinc/04/47/40/285044740.db2.gz MZYYTAJFNIEWAC-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000119941076 195066123 /nfs/dbraw/zinc/06/61/23/195066123.db2.gz HESIVPDHLABOCL-QGZVFWFLSA-N 2 2 308.853 3.073 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249410890 285072948 /nfs/dbraw/zinc/07/29/48/285072948.db2.gz XWWVGLQHAFOIBM-RBSFLKMASA-N 2 2 322.415 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249410890 285072949 /nfs/dbraw/zinc/07/29/49/285072949.db2.gz XWWVGLQHAFOIBM-RBSFLKMASA-N 2 2 322.415 3.054 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000336716920 252997600 /nfs/dbraw/zinc/99/76/00/252997600.db2.gz QJWOGFIHUFUTOY-UHOSZYNNSA-N 2 2 304.478 3.300 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000336716920 252997602 /nfs/dbraw/zinc/99/76/02/252997602.db2.gz QJWOGFIHUFUTOY-UHOSZYNNSA-N 2 2 304.478 3.300 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862872 253012570 /nfs/dbraw/zinc/01/25/70/253012570.db2.gz MFAJIWMSISJOFR-JKSUJKDBSA-N 2 2 303.450 3.471 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)[nH]1 ZINC000336862872 253012572 /nfs/dbraw/zinc/01/25/72/253012572.db2.gz MFAJIWMSISJOFR-JKSUJKDBSA-N 2 2 303.450 3.471 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](CCCCC3CCOCC3)C2)cc[nH+]1 ZINC000337164882 253056598 /nfs/dbraw/zinc/05/65/98/253056598.db2.gz YCAKBNVFQMMOJT-GOSISDBHSA-N 2 2 304.434 3.132 20 0 DGADLP c1cc(O[C@@H]2CC[N@H+](CCCCC3CCOCC3)C2)cc[nH+]1 ZINC000337164882 253056599 /nfs/dbraw/zinc/05/65/99/253056599.db2.gz YCAKBNVFQMMOJT-GOSISDBHSA-N 2 2 304.434 3.132 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Br)cs1 ZINC000337267623 253073786 /nfs/dbraw/zinc/07/37/86/253073786.db2.gz JFPMYCFUHDJLIJ-UHFFFAOYSA-N 2 2 317.296 3.428 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)cs1 ZINC000337267623 253073789 /nfs/dbraw/zinc/07/37/89/253073789.db2.gz JFPMYCFUHDJLIJ-UHFFFAOYSA-N 2 2 317.296 3.428 20 0 DGADLP COCC1(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000337270830 253074821 /nfs/dbraw/zinc/07/48/21/253074821.db2.gz ZZYBRSRASYIXNF-FUHWJXTLSA-N 2 2 302.462 3.228 20 0 DGADLP COCC1(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000337270830 253074822 /nfs/dbraw/zinc/07/48/22/253074822.db2.gz ZZYBRSRASYIXNF-FUHWJXTLSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000337297125 253080350 /nfs/dbraw/zinc/08/03/50/253080350.db2.gz OPYUBYHNMLSRRH-ACJLOTCBSA-N 2 2 303.425 3.169 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000337297125 253080352 /nfs/dbraw/zinc/08/03/52/253080352.db2.gz OPYUBYHNMLSRRH-ACJLOTCBSA-N 2 2 303.425 3.169 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)oc1C ZINC000337481922 253124582 /nfs/dbraw/zinc/12/45/82/253124582.db2.gz QZEQQTZCERVROK-WBAXXEDZSA-N 2 2 320.477 3.315 20 0 DGADLP c1nn2ccccc2c1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337721626 253164611 /nfs/dbraw/zinc/16/46/11/253164611.db2.gz PRSPLSFFWONZEV-IBGZPJMESA-N 2 2 320.440 3.089 20 0 DGADLP c1nn2ccccc2c1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337721626 253164612 /nfs/dbraw/zinc/16/46/12/253164612.db2.gz PRSPLSFFWONZEV-IBGZPJMESA-N 2 2 320.440 3.089 20 0 DGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccncc1F ZINC000337940076 253196720 /nfs/dbraw/zinc/19/67/20/253196720.db2.gz BQBUERZTYLKDMK-NSHDSACASA-N 2 2 302.378 3.319 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC[C@@H]3C3CCC3)[nH+]c2)C1 ZINC000337999251 253207006 /nfs/dbraw/zinc/20/70/06/253207006.db2.gz OPBGUBCKCDYKBE-KURKYZTESA-N 2 2 314.477 3.213 20 0 DGADLP OC[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000338006043 253208435 /nfs/dbraw/zinc/20/84/35/253208435.db2.gz BUOPHAMMGYXIGI-WOJBJXKFSA-N 2 2 316.489 3.182 20 0 DGADLP OC[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000338006043 253208437 /nfs/dbraw/zinc/20/84/37/253208437.db2.gz BUOPHAMMGYXIGI-WOJBJXKFSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(-c2ccnn2C)c1 ZINC000338422237 253285119 /nfs/dbraw/zinc/28/51/19/253285119.db2.gz GONFQVYDSIKOAS-MRXNPFEDSA-N 2 2 323.444 3.018 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]CC[C@@H]3CCOC3)ccc2n1C1CC1 ZINC000338951881 253378244 /nfs/dbraw/zinc/37/82/44/253378244.db2.gz VBMRPOMQPAYMIR-CQSZACIVSA-N 2 2 313.445 3.450 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000338991290 253384627 /nfs/dbraw/zinc/38/46/27/253384627.db2.gz MSBUCQCRLCANQD-QFBILLFUSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000338991290 253384630 /nfs/dbraw/zinc/38/46/30/253384630.db2.gz MSBUCQCRLCANQD-QFBILLFUSA-N 2 2 302.462 3.323 20 0 DGADLP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000340516115 253633996 /nfs/dbraw/zinc/63/39/96/253633996.db2.gz ANIISKNBXNGMIV-QGZVFWFLSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158067460 197240507 /nfs/dbraw/zinc/24/05/07/197240507.db2.gz DEBGOOMKTZFRTQ-YOEHRIQHSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157878212 197223975 /nfs/dbraw/zinc/22/39/75/197223975.db2.gz JELIKIRXDJSUEU-YJLNNSPDSA-N 2 2 311.429 3.481 20 0 DGADLP Clc1ccc(/C=C\C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255542637 285162612 /nfs/dbraw/zinc/16/26/12/285162612.db2.gz KUOQVJBXMPYWRA-YYZONTRBSA-N 2 2 320.864 3.007 20 0 DGADLP Clc1ccc(/C=C\C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255542637 285162616 /nfs/dbraw/zinc/16/26/16/285162616.db2.gz KUOQVJBXMPYWRA-YYZONTRBSA-N 2 2 320.864 3.007 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342809761 254056184 /nfs/dbraw/zinc/05/61/84/254056184.db2.gz UEFSIMJBDXJSPB-UHFFFAOYSA-N 2 2 304.482 3.080 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342809761 254056186 /nfs/dbraw/zinc/05/61/86/254056186.db2.gz UEFSIMJBDXJSPB-UHFFFAOYSA-N 2 2 304.482 3.080 20 0 DGADLP CCc1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342826517 254060984 /nfs/dbraw/zinc/06/09/84/254060984.db2.gz UYLPSTNHKJFIDP-GOSISDBHSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1nc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000342826517 254060987 /nfs/dbraw/zinc/06/09/87/254060987.db2.gz UYLPSTNHKJFIDP-GOSISDBHSA-N 2 2 324.472 3.306 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1ccn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000343067742 254093634 /nfs/dbraw/zinc/09/36/34/254093634.db2.gz OEOAGZXSRPWQSB-FQEVSTJZSA-N 2 2 311.473 3.198 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1ccn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000343067742 254093636 /nfs/dbraw/zinc/09/36/36/254093636.db2.gz OEOAGZXSRPWQSB-FQEVSTJZSA-N 2 2 311.473 3.198 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000343549029 254159472 /nfs/dbraw/zinc/15/94/72/254159472.db2.gz KZFNTWLDBQAFDO-NTDBWNAOSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000343549029 254159474 /nfs/dbraw/zinc/15/94/74/254159474.db2.gz KZFNTWLDBQAFDO-NTDBWNAOSA-N 2 2 301.478 3.318 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](CO)c2cccc(Cl)c2F)c[nH+]1 ZINC000343599005 254166096 /nfs/dbraw/zinc/16/60/96/254166096.db2.gz GLRXNXFVIVXRFN-MRXNPFEDSA-N 2 2 322.811 3.438 20 0 DGADLP C[C@@H]1CC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)C1 ZINC000343572674 254162204 /nfs/dbraw/zinc/16/22/04/254162204.db2.gz OVKVGVBINQEQSQ-HOTGVXAUSA-N 2 2 301.478 3.460 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000343578298 254163548 /nfs/dbraw/zinc/16/35/48/254163548.db2.gz BKYRCIALBDDDDO-AWEZNQCLSA-N 2 2 303.406 3.031 20 0 DGADLP CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CCn1cc[nH+]c1 ZINC000343620471 254168877 /nfs/dbraw/zinc/16/88/77/254168877.db2.gz YTNPCUWRSKFUMF-INIZCTEOSA-N 2 2 305.397 3.106 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343628769 254170169 /nfs/dbraw/zinc/17/01/69/254170169.db2.gz XFVPSDQUYCLJFU-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343628769 254170171 /nfs/dbraw/zinc/17/01/71/254170171.db2.gz XFVPSDQUYCLJFU-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2cccc(F)c2F)C1 ZINC000343770523 254186189 /nfs/dbraw/zinc/18/61/89/254186189.db2.gz QCVOVHZURDJZRK-AWEZNQCLSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000343770523 254186190 /nfs/dbraw/zinc/18/61/90/254186190.db2.gz QCVOVHZURDJZRK-AWEZNQCLSA-N 2 2 319.399 3.196 20 0 DGADLP C1=CC[C@H](C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000343902992 254201233 /nfs/dbraw/zinc/20/12/33/254201233.db2.gz UKDIRACXKNQFMQ-SFHVURJKSA-N 2 2 306.494 3.215 20 0 DGADLP C[N@H+](Cc1ccc(C2CCCC2)cc1)C1CC[NH+](CCO)CC1 ZINC000343954424 254206047 /nfs/dbraw/zinc/20/60/47/254206047.db2.gz HDNLGYGCQNWPCQ-UHFFFAOYSA-N 2 2 316.489 3.233 20 0 DGADLP C[N@@H+](Cc1ccc(C2CCCC2)cc1)C1CC[NH+](CCO)CC1 ZINC000343954424 254206048 /nfs/dbraw/zinc/20/60/48/254206048.db2.gz HDNLGYGCQNWPCQ-UHFFFAOYSA-N 2 2 316.489 3.233 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000344035144 254216117 /nfs/dbraw/zinc/21/61/17/254216117.db2.gz QBUBUEFTCGSJHJ-SPYBWZPUSA-N 2 2 320.452 3.292 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)c3cccnc3)sc2C1 ZINC000344079255 254222581 /nfs/dbraw/zinc/22/25/81/254222581.db2.gz ZRQHHJXIVBSCJS-CYBMUJFWSA-N 2 2 316.474 3.155 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)c3cccnc3)sc2C1 ZINC000344079255 254222583 /nfs/dbraw/zinc/22/25/83/254222583.db2.gz ZRQHHJXIVBSCJS-CYBMUJFWSA-N 2 2 316.474 3.155 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344291590 254251708 /nfs/dbraw/zinc/25/17/08/254251708.db2.gz NCPUXWZPJYDJQQ-UHOSZYNNSA-N 2 2 316.489 3.209 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344291590 254251710 /nfs/dbraw/zinc/25/17/10/254251710.db2.gz NCPUXWZPJYDJQQ-UHOSZYNNSA-N 2 2 316.489 3.209 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(C)C ZINC000344625930 254290863 /nfs/dbraw/zinc/29/08/63/254290863.db2.gz KHNVTCWVGJYNFD-GOEBONIOSA-N 2 2 306.450 3.055 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(C)C ZINC000344625930 254290864 /nfs/dbraw/zinc/29/08/64/254290864.db2.gz KHNVTCWVGJYNFD-GOEBONIOSA-N 2 2 306.450 3.055 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@@H+]1C ZINC000344634210 254291252 /nfs/dbraw/zinc/29/12/52/254291252.db2.gz RRBPIYRHRUITGB-NEPJUHHUSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@H+]1C ZINC000344634210 254291254 /nfs/dbraw/zinc/29/12/54/254291254.db2.gz RRBPIYRHRUITGB-NEPJUHHUSA-N 2 2 307.488 3.444 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)o1 ZINC000344660356 254293688 /nfs/dbraw/zinc/29/36/88/254293688.db2.gz DNIQYTACJQCNPP-WCQYABFASA-N 2 2 305.447 3.284 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)o1 ZINC000344660356 254293689 /nfs/dbraw/zinc/29/36/89/254293689.db2.gz DNIQYTACJQCNPP-WCQYABFASA-N 2 2 305.447 3.284 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1Br ZINC000344350378 254261008 /nfs/dbraw/zinc/26/10/08/254261008.db2.gz IOXGCBSWCXHELF-DOMZBBRYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1Br ZINC000344350378 254261009 /nfs/dbraw/zinc/26/10/09/254261009.db2.gz IOXGCBSWCXHELF-DOMZBBRYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(N2CCC([NH2+]Cc3ccc(Cl)o3)CC2)[nH+]c1 ZINC000344515017 254278746 /nfs/dbraw/zinc/27/87/46/254278746.db2.gz CQIWNHGNTKWRCP-UHFFFAOYSA-N 2 2 305.809 3.395 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000344730173 254300619 /nfs/dbraw/zinc/30/06/19/254300619.db2.gz NKFDFWKGVZGXPS-JYBIWHBTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000344730173 254300620 /nfs/dbraw/zinc/30/06/20/254300620.db2.gz NKFDFWKGVZGXPS-JYBIWHBTSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@]1(C)C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000344740478 254301578 /nfs/dbraw/zinc/30/15/78/254301578.db2.gz MDTGBJNUUHUJKT-IEBWSBKVSA-N 2 2 313.445 3.474 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000255954486 285189298 /nfs/dbraw/zinc/18/92/98/285189298.db2.gz NIJRPMYYINXSDF-MOPGFXCFSA-N 2 2 304.478 3.330 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000255954486 285189300 /nfs/dbraw/zinc/18/93/00/285189300.db2.gz NIJRPMYYINXSDF-MOPGFXCFSA-N 2 2 304.478 3.330 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(C)n1 ZINC000156165389 197091742 /nfs/dbraw/zinc/09/17/42/197091742.db2.gz WUFDJNPYWHXBIY-GFCCVEGCSA-N 2 2 309.417 3.253 20 0 DGADLP C[C@H](CCCO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000294721890 224192206 /nfs/dbraw/zinc/19/22/06/224192206.db2.gz FNIUXLARWCISFL-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2(C3CC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422932499 533194009 /nfs/dbraw/zinc/19/40/09/533194009.db2.gz FZXDXBYJLHZRQR-MSOLQXFVSA-N 2 2 300.446 3.268 20 0 DGADLP COc1ccc([C@H]([NH2+]CCC[NH3+])c2ccccc2Cl)cc1 ZINC000415090470 533194584 /nfs/dbraw/zinc/19/45/84/533194584.db2.gz OXZPDBHGGHVTEE-KRWDZBQOSA-N 2 2 304.821 3.376 20 0 DGADLP COCCOc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289323045 220874448 /nfs/dbraw/zinc/87/44/48/220874448.db2.gz TYQOTXJJGMHQGW-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000289482993 221008242 /nfs/dbraw/zinc/00/82/42/221008242.db2.gz AZDKOTBLRDMTLY-KRWDZBQOSA-N 2 2 322.811 3.438 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000289576893 221079527 /nfs/dbraw/zinc/07/95/27/221079527.db2.gz HBHXTSRMOWCUOJ-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000289576893 221079530 /nfs/dbraw/zinc/07/95/30/221079530.db2.gz HBHXTSRMOWCUOJ-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000289623074 221110236 /nfs/dbraw/zinc/11/02/36/221110236.db2.gz JZRXJTBCBNHXIT-UHFFFAOYSA-N 2 2 314.351 3.166 20 0 DGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000289791544 221228204 /nfs/dbraw/zinc/22/82/04/221228204.db2.gz LXYPETQFPKOZRS-CZUORRHYSA-N 2 2 318.852 3.046 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294968753 224347605 /nfs/dbraw/zinc/34/76/05/224347605.db2.gz NUKMRRDQAARSET-UHOSZYNNSA-N 2 2 313.445 3.024 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294968753 224347607 /nfs/dbraw/zinc/34/76/07/224347607.db2.gz NUKMRRDQAARSET-UHOSZYNNSA-N 2 2 313.445 3.024 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000352539920 285355405 /nfs/dbraw/zinc/35/54/05/285355405.db2.gz FAQKDDRKQGIMAP-ZDUSSCGKSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000352539920 285355407 /nfs/dbraw/zinc/35/54/07/285355407.db2.gz FAQKDDRKQGIMAP-ZDUSSCGKSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1nc2ccccc2n1C)C[NH+]1CCCCC1 ZINC000121580740 195309945 /nfs/dbraw/zinc/30/99/45/195309945.db2.gz FKAKQOUCNNJJPY-CVEARBPZSA-N 2 2 314.477 3.346 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121945975 195380110 /nfs/dbraw/zinc/38/01/10/195380110.db2.gz JCIPXERKROMPLW-BQFCYCMXSA-N 2 2 304.478 3.443 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121945975 195380112 /nfs/dbraw/zinc/38/01/12/195380112.db2.gz JCIPXERKROMPLW-BQFCYCMXSA-N 2 2 304.478 3.443 20 0 DGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000414492948 533317340 /nfs/dbraw/zinc/31/73/40/533317340.db2.gz HCPRWCLCFYRBKN-MSOLQXFVSA-N 2 2 307.397 3.045 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccncc1F ZINC000423534040 533360727 /nfs/dbraw/zinc/36/07/27/533360727.db2.gz ZFOOVMZCTCMKBH-NSVFZLEXSA-N 2 2 303.425 3.025 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181546859 533452043 /nfs/dbraw/zinc/45/20/43/533452043.db2.gz AGMLDSYNYZFIEV-CQSZACIVSA-N 2 2 321.380 3.452 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc2ccccc21 ZINC000424330763 533519612 /nfs/dbraw/zinc/51/96/12/533519612.db2.gz IGVYKIXHYWYHOK-MZMPZRCHSA-N 2 2 311.429 3.026 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1C ZINC000415119444 533572239 /nfs/dbraw/zinc/57/22/39/533572239.db2.gz HWQWDAXGHDLVBA-FUHWJXTLSA-N 2 2 314.404 3.069 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1C ZINC000415119444 533572244 /nfs/dbraw/zinc/57/22/44/533572244.db2.gz HWQWDAXGHDLVBA-FUHWJXTLSA-N 2 2 314.404 3.069 20 0 DGADLP c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000290178398 285499931 /nfs/dbraw/zinc/49/99/31/285499931.db2.gz QOMXWBOMUQLIFT-IBGZPJMESA-N 2 2 314.473 3.156 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000163831250 132125269 /nfs/dbraw/zinc/12/52/69/132125269.db2.gz TZGYUIVSLKXQDF-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C[C@@H]1C[NH3+] ZINC000163831250 132125272 /nfs/dbraw/zinc/12/52/72/132125272.db2.gz TZGYUIVSLKXQDF-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP COC1(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCCC1 ZINC000319797694 292122068 /nfs/dbraw/zinc/12/20/68/292122068.db2.gz GABAPAYUGWANQB-GOSISDBHSA-N 2 2 302.462 3.372 20 0 DGADLP Cc1noc(C)c1CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075511 400092886 /nfs/dbraw/zinc/09/28/86/400092886.db2.gz UYSPTNNBPBTAJZ-UHFFFAOYSA-N 2 2 315.461 3.334 20 0 DGADLP Cc1noc(C)c1CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075511 400092890 /nfs/dbraw/zinc/09/28/90/400092890.db2.gz UYSPTNNBPBTAJZ-UHFFFAOYSA-N 2 2 315.461 3.334 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837461 400096023 /nfs/dbraw/zinc/09/60/23/400096023.db2.gz FBHJFXISQLFRIO-YPMHNXCESA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837461 400096027 /nfs/dbraw/zinc/09/60/27/400096027.db2.gz FBHJFXISQLFRIO-YPMHNXCESA-N 2 2 317.389 3.038 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091268640 400110883 /nfs/dbraw/zinc/11/08/83/400110883.db2.gz QLWKRCRAVDIYSI-AWEZNQCLSA-N 2 2 312.461 3.334 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090847112 400079179 /nfs/dbraw/zinc/07/91/79/400079179.db2.gz RRIVZEPCHUKHIR-MRXNPFEDSA-N 2 2 323.440 3.410 20 0 DGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc2c(c1)OCCO2 ZINC000090847116 400079214 /nfs/dbraw/zinc/07/92/14/400079214.db2.gz URHPILPUBBILQV-QGZVFWFLSA-N 2 2 312.413 3.445 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000090847067 400079440 /nfs/dbraw/zinc/07/94/40/400079440.db2.gz JYYCSUWKZXSIIF-AWEZNQCLSA-N 2 2 301.409 3.488 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090847341 400079881 /nfs/dbraw/zinc/07/98/81/400079881.db2.gz CUIHFWIPFFOAQU-UHFFFAOYSA-N 3 2 323.484 3.229 20 0 DGADLP Fc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000091684971 400130994 /nfs/dbraw/zinc/13/09/94/400130994.db2.gz YDQJLAPKAUIKSY-GFCCVEGCSA-N 2 2 323.799 3.461 20 0 DGADLP Fc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000091684971 400131000 /nfs/dbraw/zinc/13/10/00/400131000.db2.gz YDQJLAPKAUIKSY-GFCCVEGCSA-N 2 2 323.799 3.461 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000310128016 400133543 /nfs/dbraw/zinc/13/35/43/400133543.db2.gz XQIBFSISTNOTML-LLVKDONJSA-N 2 2 317.296 3.331 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000310128016 400133549 /nfs/dbraw/zinc/13/35/49/400133549.db2.gz XQIBFSISTNOTML-LLVKDONJSA-N 2 2 317.296 3.331 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000585747564 400136931 /nfs/dbraw/zinc/13/69/31/400136931.db2.gz NLQNZTIJNNOXCF-UHFFFAOYSA-N 2 2 322.412 3.093 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000317822630 400155443 /nfs/dbraw/zinc/15/54/43/400155443.db2.gz VEAHAGOFBSBYRB-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000317822630 400155450 /nfs/dbraw/zinc/15/54/50/400155450.db2.gz VEAHAGOFBSBYRB-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP CCC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC[NH2+]CC1 ZINC000319735351 400160966 /nfs/dbraw/zinc/16/09/66/400160966.db2.gz RQIYBJUPGAPOKK-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP CCC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC[NH2+]CC1 ZINC000319735351 400160969 /nfs/dbraw/zinc/16/09/69/400160969.db2.gz RQIYBJUPGAPOKK-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP COc1nc2ccccc2cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648530 400188124 /nfs/dbraw/zinc/18/81/24/400188124.db2.gz NUYONKKLUCRVMJ-UHFFFAOYSA-N 2 2 322.412 3.277 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000093079081 400224409 /nfs/dbraw/zinc/22/44/09/400224409.db2.gz GGXLSYVFBNEYRP-PKOBYXMFSA-N 2 2 323.440 3.016 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000390539623 400271706 /nfs/dbraw/zinc/27/17/06/400271706.db2.gz QKJDUOMVOQNMCL-UXHICEINSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000390539623 400271712 /nfs/dbraw/zinc/27/17/12/400271712.db2.gz QKJDUOMVOQNMCL-UXHICEINSA-N 2 2 322.452 3.244 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000390945297 400273868 /nfs/dbraw/zinc/27/38/68/400273868.db2.gz MJGIXZCLTWKLMM-DLBZAZTESA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000390945297 400273875 /nfs/dbraw/zinc/27/38/75/400273875.db2.gz MJGIXZCLTWKLMM-DLBZAZTESA-N 2 2 318.461 3.119 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cnc3ccccc3n2)c[nH+]1 ZINC000589837979 400332951 /nfs/dbraw/zinc/33/29/51/400332951.db2.gz OALJVUVKPNXZQQ-UHFFFAOYSA-N 2 2 315.380 3.105 20 0 DGADLP CCC[NH+]1CCC([NH2+]CCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000121499452 400454907 /nfs/dbraw/zinc/45/49/07/400454907.db2.gz ABYQSTQJHGRQOQ-UHFFFAOYSA-N 3 2 314.477 3.199 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000596654707 400473592 /nfs/dbraw/zinc/47/35/92/400473592.db2.gz MGCHWRZSYSYPBD-ZWNOBZJWSA-N 2 2 306.397 3.307 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000591083241 400484169 /nfs/dbraw/zinc/48/41/69/400484169.db2.gz SCRLYUVSIDTXIL-MRXNPFEDSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000591083241 400484172 /nfs/dbraw/zinc/48/41/72/400484172.db2.gz SCRLYUVSIDTXIL-MRXNPFEDSA-N 2 2 308.385 3.375 20 0 DGADLP Clc1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591082365 400484259 /nfs/dbraw/zinc/48/42/59/400484259.db2.gz FUNFSPZNCNNUEO-OAHLLOKOSA-N 2 2 305.809 3.252 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129108996 400522862 /nfs/dbraw/zinc/52/28/62/400522862.db2.gz ZAENXOZTHASBRG-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129108996 400522864 /nfs/dbraw/zinc/52/28/64/400522864.db2.gz ZAENXOZTHASBRG-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP CCOC(=O)C1CCC([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000602751548 400562736 /nfs/dbraw/zinc/56/27/36/400562736.db2.gz HTYCTWKDQYGNEN-UHFFFAOYSA-N 2 2 304.434 3.034 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)c[nH+]1 ZINC000591868396 400567903 /nfs/dbraw/zinc/56/79/03/400567903.db2.gz ZGFOGVNRQBAFLC-INIZCTEOSA-N 2 2 308.385 3.375 20 0 DGADLP Clc1ccc2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cn2c1 ZINC000591867226 400568413 /nfs/dbraw/zinc/56/84/13/400568413.db2.gz MOWNOHMJRLIBCZ-HNNXBMFYSA-N 2 2 315.808 3.021 20 0 DGADLP Clc1ccc2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cn2c1 ZINC000591867226 400568417 /nfs/dbraw/zinc/56/84/17/400568417.db2.gz MOWNOHMJRLIBCZ-HNNXBMFYSA-N 2 2 315.808 3.021 20 0 DGADLP C[NH+](C)[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1 ZINC000134821124 400582364 /nfs/dbraw/zinc/58/23/64/400582364.db2.gz RVTZABIIMVFMHY-KRWDZBQOSA-N 2 2 320.396 3.318 20 0 DGADLP c1ccc(N2CC[NH+](CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000076844514 400677063 /nfs/dbraw/zinc/67/70/63/400677063.db2.gz FTFYZWCDVKBDAH-UHFFFAOYSA-N 2 2 310.445 3.096 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000603517336 400696858 /nfs/dbraw/zinc/69/68/58/400696858.db2.gz PQAWZSRGHVXFLH-ZTFGCOKTSA-N 2 2 318.461 3.136 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CC[NH2+]C(C)C)cc2[nH+]1 ZINC000165228666 400752506 /nfs/dbraw/zinc/75/25/06/400752506.db2.gz WSRURXUELRXNPJ-UHFFFAOYSA-N 2 2 302.422 3.232 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000078599909 400814072 /nfs/dbraw/zinc/81/40/72/400814072.db2.gz JRPFZAHNSBWIOX-QGZVFWFLSA-N 2 2 311.385 3.297 20 0 DGADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000078599909 400814077 /nfs/dbraw/zinc/81/40/77/400814077.db2.gz JRPFZAHNSBWIOX-QGZVFWFLSA-N 2 2 311.385 3.297 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661580 400758208 /nfs/dbraw/zinc/75/82/08/400758208.db2.gz YJPUMFPBQNSDOF-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661580 400758211 /nfs/dbraw/zinc/75/82/11/400758211.db2.gz YJPUMFPBQNSDOF-WCQYABFASA-N 2 2 305.809 3.164 20 0 DGADLP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000619425096 400844810 /nfs/dbraw/zinc/84/48/10/400844810.db2.gz LHUMECVEVGHRMZ-SJLPKXTDSA-N 2 2 304.434 3.034 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c[nH+]1 ZINC000619428270 400846297 /nfs/dbraw/zinc/84/62/97/400846297.db2.gz WUSXUGSELBTHFI-MRXNPFEDSA-N 2 2 306.450 3.279 20 0 DGADLP CSC1(CNc2[nH+]ccc3ccccc32)CC[NH+](C)CC1 ZINC000599085923 400955707 /nfs/dbraw/zinc/95/57/07/400955707.db2.gz VRIJVGNYFJYKMX-UHFFFAOYSA-N 2 2 301.459 3.474 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000079917763 400906249 /nfs/dbraw/zinc/90/62/49/400906249.db2.gz WNFQQUKNHSVEHO-UHFFFAOYSA-N 2 2 323.444 3.242 20 0 DGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000236778937 400982068 /nfs/dbraw/zinc/98/20/68/400982068.db2.gz PZEVRKCCHVTZTQ-OXRZLYTFSA-N 2 2 302.462 3.036 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000080959688 401008022 /nfs/dbraw/zinc/00/80/22/401008022.db2.gz RRTODPPRUQYUOG-AWEZNQCLSA-N 2 2 310.376 3.477 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ncccc12 ZINC000080959688 401008029 /nfs/dbraw/zinc/00/80/29/401008029.db2.gz RRTODPPRUQYUOG-AWEZNQCLSA-N 2 2 310.376 3.477 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960512 401008299 /nfs/dbraw/zinc/00/82/99/401008299.db2.gz CEEUURHGKIYRJG-ZDUSSCGKSA-N 2 2 307.344 3.391 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960512 401008305 /nfs/dbraw/zinc/00/83/05/401008305.db2.gz CEEUURHGKIYRJG-ZDUSSCGKSA-N 2 2 307.344 3.391 20 0 DGADLP COCc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)o1 ZINC000629648377 401016247 /nfs/dbraw/zinc/01/62/47/401016247.db2.gz UVQCUYXOBQTZQU-SFHVURJKSA-N 2 2 302.418 3.339 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)s1 ZINC000629540156 400967267 /nfs/dbraw/zinc/96/72/67/400967267.db2.gz UMWFWDUJYVBUHD-UTLUCORTSA-N 2 2 303.269 3.302 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629561298 400974643 /nfs/dbraw/zinc/97/46/43/400974643.db2.gz HOFQGDYRAFDHIC-QWRGUYRKSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629561298 400974648 /nfs/dbraw/zinc/97/46/48/400974648.db2.gz HOFQGDYRAFDHIC-QWRGUYRKSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629561269 400974947 /nfs/dbraw/zinc/97/49/47/400974947.db2.gz HJFNDOGBKMUQKZ-QWRGUYRKSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629561269 400974954 /nfs/dbraw/zinc/97/49/54/400974954.db2.gz HJFNDOGBKMUQKZ-QWRGUYRKSA-N 2 2 324.749 3.438 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561907 400978000 /nfs/dbraw/zinc/97/80/00/400978000.db2.gz LIQBMPBTAAIMJF-OSMZGAPFSA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561907 400978004 /nfs/dbraw/zinc/97/80/04/400978004.db2.gz LIQBMPBTAAIMJF-OSMZGAPFSA-N 2 2 304.331 3.346 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629567701 400980185 /nfs/dbraw/zinc/98/01/85/400980185.db2.gz QDOBOEAWWNNMRX-AAEUAGOBSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629567701 400980191 /nfs/dbraw/zinc/98/01/91/400980191.db2.gz QDOBOEAWWNNMRX-AAEUAGOBSA-N 2 2 306.759 3.299 20 0 DGADLP COCCN(C)c1ccc(-c2ccc(C[NH+](C)C)c(F)c2)c[nH+]1 ZINC000629708607 401052020 /nfs/dbraw/zinc/05/20/20/401052020.db2.gz ISKIGOZHFCWZKN-UHFFFAOYSA-N 2 2 317.408 3.032 20 0 DGADLP C[NH+](C)CCc1ccc(-c2cncc(NCc3[nH]cc[nH+]3)c2)cc1 ZINC000629733031 401064097 /nfs/dbraw/zinc/06/40/97/401064097.db2.gz YDVNHSRVEXQKKC-UHFFFAOYSA-N 2 2 321.428 3.188 20 0 DGADLP Oc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268443 401079133 /nfs/dbraw/zinc/07/91/33/401079133.db2.gz YLQGJBXQTMNEBY-SCLBCKFNSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268443 401079139 /nfs/dbraw/zinc/07/91/39/401079139.db2.gz YLQGJBXQTMNEBY-SCLBCKFNSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000625268443 401079144 /nfs/dbraw/zinc/07/91/44/401079144.db2.gz YLQGJBXQTMNEBY-SCLBCKFNSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000625268443 401079152 /nfs/dbraw/zinc/07/91/52/401079152.db2.gz YLQGJBXQTMNEBY-SCLBCKFNSA-N 2 2 320.864 3.494 20 0 DGADLP C[N@H+](CCOCC[NH3+])Cc1c(Cl)ccc(Cl)c1Cl ZINC000629663925 401027058 /nfs/dbraw/zinc/02/70/58/401027058.db2.gz NACBXCWDBYMIFK-UHFFFAOYSA-N 2 2 311.640 3.054 20 0 DGADLP C[N@@H+](CCOCC[NH3+])Cc1c(Cl)ccc(Cl)c1Cl ZINC000629663925 401027059 /nfs/dbraw/zinc/02/70/59/401027059.db2.gz NACBXCWDBYMIFK-UHFFFAOYSA-N 2 2 311.640 3.054 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000599427733 401048131 /nfs/dbraw/zinc/04/81/31/401048131.db2.gz UFICUPFQWOBEMR-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000599427733 401048136 /nfs/dbraw/zinc/04/81/36/401048136.db2.gz UFICUPFQWOBEMR-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000599427733 401048143 /nfs/dbraw/zinc/04/81/43/401048143.db2.gz UFICUPFQWOBEMR-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000599427733 401048150 /nfs/dbraw/zinc/04/81/50/401048150.db2.gz UFICUPFQWOBEMR-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625373535 401114745 /nfs/dbraw/zinc/11/47/45/401114745.db2.gz RRSOLYWOLFRMMX-UHFFFAOYSA-N 2 2 317.437 3.008 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625373535 401114750 /nfs/dbraw/zinc/11/47/50/401114750.db2.gz RRSOLYWOLFRMMX-UHFFFAOYSA-N 2 2 317.437 3.008 20 0 DGADLP Clc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)o1 ZINC000061030540 401143617 /nfs/dbraw/zinc/14/36/17/401143617.db2.gz DCDVERHDBQDBKR-UHFFFAOYSA-N 2 2 320.820 3.055 20 0 DGADLP CC(C)(C)c1cccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625544663 401153010 /nfs/dbraw/zinc/15/30/10/401153010.db2.gz VNPKEEOEAIFZMA-UHFFFAOYSA-N 2 2 316.489 3.281 20 0 DGADLP Clc1ccc(CCC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625549171 401153614 /nfs/dbraw/zinc/15/36/14/401153614.db2.gz KDASXWRYBZHQNQ-UHFFFAOYSA-N 2 2 322.880 3.069 20 0 DGADLP CC[N@H+](C)[C@H](C(=O)Nc1ccn2cc(C)[nH+]c2c1)c1ccccc1 ZINC000620649835 401164991 /nfs/dbraw/zinc/16/49/91/401164991.db2.gz FMOHUSLMEXRDIX-SFHVURJKSA-N 2 2 322.412 3.274 20 0 DGADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccn2cc(C)[nH+]c2c1)c1ccccc1 ZINC000620649835 401165000 /nfs/dbraw/zinc/16/50/00/401165000.db2.gz FMOHUSLMEXRDIX-SFHVURJKSA-N 2 2 322.412 3.274 20 0 DGADLP Cc1cn2ccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000620650868 401165431 /nfs/dbraw/zinc/16/54/31/401165431.db2.gz FXBYBDBSUOOIRN-QGZVFWFLSA-N 2 2 322.412 3.274 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257707 286013023 /nfs/dbraw/zinc/01/30/23/286013023.db2.gz SHXVYAZVSHFJBQ-LIRRHRJNSA-N 2 2 316.445 3.021 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257707 286013024 /nfs/dbraw/zinc/01/30/24/286013024.db2.gz SHXVYAZVSHFJBQ-LIRRHRJNSA-N 2 2 316.445 3.021 20 0 DGADLP CCc1c[nH+]ccc1NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000358290615 286021828 /nfs/dbraw/zinc/02/18/28/286021828.db2.gz SDAMKXIOEWBFPI-UHFFFAOYSA-N 2 2 323.440 3.303 20 0 DGADLP CCc1c[nH+]ccc1NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000358290615 286021829 /nfs/dbraw/zinc/02/18/29/286021829.db2.gz SDAMKXIOEWBFPI-UHFFFAOYSA-N 2 2 323.440 3.303 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000358288890 286021548 /nfs/dbraw/zinc/02/15/48/286021548.db2.gz BZZAJIILJHCYHW-ZTFGCOKTSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000358288890 286021549 /nfs/dbraw/zinc/02/15/49/286021549.db2.gz BZZAJIILJHCYHW-ZTFGCOKTSA-N 2 2 316.493 3.420 20 0 DGADLP CCc1nnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000682533221 549336088 /nfs/dbraw/zinc/33/60/88/549336088.db2.gz YQSYINLXGKXGCZ-LBPRGKRZSA-N 2 2 313.430 3.137 20 0 DGADLP CSc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000625959268 401265413 /nfs/dbraw/zinc/26/54/13/401265413.db2.gz XMNJAYBWHCTBDA-UHFFFAOYSA-N 2 2 320.502 3.095 20 0 DGADLP Cc1cccc(C)c1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090469170 401266174 /nfs/dbraw/zinc/26/61/74/401266174.db2.gz TZWUQYKIWPIHDY-UHFFFAOYSA-N 2 2 323.484 3.495 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362437 286042046 /nfs/dbraw/zinc/04/20/46/286042046.db2.gz YEMHBCBQEWYLFX-YOEHRIQHSA-N 2 2 323.431 3.460 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362437 286042047 /nfs/dbraw/zinc/04/20/47/286042047.db2.gz YEMHBCBQEWYLFX-YOEHRIQHSA-N 2 2 323.431 3.460 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342863 401228851 /nfs/dbraw/zinc/22/88/51/401228851.db2.gz IRFUAZZOKCABAS-HECZYDGTSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342863 401228856 /nfs/dbraw/zinc/22/88/56/401228856.db2.gz IRFUAZZOKCABAS-HECZYDGTSA-N 2 2 316.489 3.353 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C)ncn2)cc1 ZINC000358346631 286038101 /nfs/dbraw/zinc/03/81/01/286038101.db2.gz AHMWHQCLCXJJKU-AWEZNQCLSA-N 2 2 307.401 3.130 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc(C)c1F ZINC000090047132 401250197 /nfs/dbraw/zinc/25/01/97/401250197.db2.gz XIBLMCLCXAMDKX-HZPDHXFCSA-N 2 2 308.441 3.204 20 0 DGADLP c1cncc([C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C2CC2)c1 ZINC000358380138 286045855 /nfs/dbraw/zinc/04/58/55/286045855.db2.gz XFXAJYGZEAAPDO-FQEVSTJZSA-N 2 2 322.456 3.182 20 0 DGADLP Cn1c(CCC[NH2+][C@H]2CCOC(C)(C)C2)[nH+]c2ccccc21 ZINC000634681216 401333425 /nfs/dbraw/zinc/33/34/25/401333425.db2.gz KQJMTVPKOJNDPN-AWEZNQCLSA-N 2 2 301.434 3.053 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000634682973 401333912 /nfs/dbraw/zinc/33/39/12/401333912.db2.gz GHEWCSXKTOHSDB-DYVFJYSZSA-N 2 2 305.372 3.463 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004812 401335261 /nfs/dbraw/zinc/33/52/61/401335261.db2.gz VGPBBWONXZVLOO-KSSFIOAISA-N 2 2 319.880 3.253 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004812 401335265 /nfs/dbraw/zinc/33/52/65/401335265.db2.gz VGPBBWONXZVLOO-KSSFIOAISA-N 2 2 319.880 3.253 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1C ZINC000621777466 401299411 /nfs/dbraw/zinc/29/94/11/401299411.db2.gz CQWVIZKTWXKRAO-LPHOPBHVSA-N 2 2 300.446 3.128 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1C ZINC000621777466 401299413 /nfs/dbraw/zinc/29/94/13/401299413.db2.gz CQWVIZKTWXKRAO-LPHOPBHVSA-N 2 2 300.446 3.128 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102206 401300192 /nfs/dbraw/zinc/30/01/92/401300192.db2.gz YEQWYVDSYTWRCH-CABCVRRESA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102206 401300193 /nfs/dbraw/zinc/30/01/93/401300193.db2.gz YEQWYVDSYTWRCH-CABCVRRESA-N 2 2 317.260 3.101 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000631044297 401377094 /nfs/dbraw/zinc/37/70/94/401377094.db2.gz IZPBCXBMASOTRQ-ZIAGYGMSSA-N 2 2 324.852 3.074 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000631044297 401377096 /nfs/dbraw/zinc/37/70/96/401377096.db2.gz IZPBCXBMASOTRQ-ZIAGYGMSSA-N 2 2 324.852 3.074 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000631048812 401377956 /nfs/dbraw/zinc/37/79/56/401377956.db2.gz LTGCUBQBCCRCCE-UHFFFAOYSA-N 2 2 323.824 3.124 20 0 DGADLP Cc1ccc([C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[NH+]2CCCC2)cc1 ZINC000631057542 401380443 /nfs/dbraw/zinc/38/04/43/401380443.db2.gz XXUXMIGRENTGKG-SFHVURJKSA-N 2 2 311.429 3.022 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000631061848 401381142 /nfs/dbraw/zinc/38/11/42/401381142.db2.gz JXSRIZRKZUGSDK-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000635010288 401402395 /nfs/dbraw/zinc/40/23/95/401402395.db2.gz JJWKHWSYMMWXSM-RDJZCZTQSA-N 3 2 312.461 3.301 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000635010988 401402409 /nfs/dbraw/zinc/40/24/09/401402409.db2.gz LPTJQBJREOAQGY-HZPDHXFCSA-N 2 2 316.424 3.006 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1C ZINC000631185575 401418891 /nfs/dbraw/zinc/41/88/91/401418891.db2.gz OUYPFYNNLYYKIS-CVEARBPZSA-N 2 2 305.809 3.002 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258583 401439778 /nfs/dbraw/zinc/43/97/78/401439778.db2.gz BGCZDTJSLKYCSE-JFRXWTBNSA-N 2 2 302.462 3.115 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258583 401439781 /nfs/dbraw/zinc/43/97/81/401439781.db2.gz BGCZDTJSLKYCSE-JFRXWTBNSA-N 2 2 302.462 3.115 20 0 DGADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000635457789 401444377 /nfs/dbraw/zinc/44/43/77/401444377.db2.gz OWCLNTRLZPDREW-AWEZNQCLSA-N 2 2 311.385 3.154 20 0 DGADLP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000635457789 401444383 /nfs/dbraw/zinc/44/43/83/401444383.db2.gz OWCLNTRLZPDREW-AWEZNQCLSA-N 2 2 311.385 3.154 20 0 DGADLP CC(C)c1cc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000631326058 401452557 /nfs/dbraw/zinc/45/25/57/401452557.db2.gz MBZUEHUCVVGEEA-LSDHHAIUSA-N 2 2 302.466 3.111 20 0 DGADLP CC(C)c1cc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000631326058 401452561 /nfs/dbraw/zinc/45/25/61/401452561.db2.gz MBZUEHUCVVGEEA-LSDHHAIUSA-N 2 2 302.466 3.111 20 0 DGADLP Fc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1F ZINC000623088333 401462984 /nfs/dbraw/zinc/46/29/84/401462984.db2.gz GWOGVAVAVCETBK-UHFFFAOYSA-N 2 2 304.331 3.032 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000623088801 401463103 /nfs/dbraw/zinc/46/31/03/401463103.db2.gz FTNIHJIBJSHWSR-UHFFFAOYSA-N 2 2 308.372 3.500 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCCc4ncccc43)CC2)[nH+]c1 ZINC000631569136 401500607 /nfs/dbraw/zinc/50/06/07/401500607.db2.gz JERSARUDMQITAQ-GOSISDBHSA-N 2 2 308.429 3.113 20 0 DGADLP C[C@H](C[NH2+]Cc1csc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000623381245 401504573 /nfs/dbraw/zinc/50/45/73/401504573.db2.gz JCOSMRCOGVASNO-SNVBAGLBSA-N 2 2 303.353 3.389 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000623413509 401511676 /nfs/dbraw/zinc/51/16/76/401511676.db2.gz YCNKJDPNCXSCLO-HNNXBMFYSA-N 2 2 308.429 3.173 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000623413509 401511679 /nfs/dbraw/zinc/51/16/79/401511679.db2.gz YCNKJDPNCXSCLO-HNNXBMFYSA-N 2 2 308.429 3.173 20 0 DGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000631620530 401516203 /nfs/dbraw/zinc/51/62/03/401516203.db2.gz GGRPBTWMEHSLIE-GOEBONIOSA-N 2 2 308.429 3.290 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000631661677 401527955 /nfs/dbraw/zinc/52/79/55/401527955.db2.gz BKVQMJBPSVEHTA-NEPXVJNWSA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000631661677 401527961 /nfs/dbraw/zinc/52/79/61/401527961.db2.gz BKVQMJBPSVEHTA-NEPXVJNWSA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000631661678 401528018 /nfs/dbraw/zinc/52/80/18/401528018.db2.gz BKVQMJBPSVEHTA-ZAWLATJESA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000631661678 401528020 /nfs/dbraw/zinc/52/80/20/401528020.db2.gz BKVQMJBPSVEHTA-ZAWLATJESA-N 2 2 324.472 3.247 20 0 DGADLP CC(C)n1cc[nH+]c1CN1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000623283634 401485735 /nfs/dbraw/zinc/48/57/35/401485735.db2.gz ANPKPWAXVMBSKP-QGZVFWFLSA-N 2 2 312.461 3.347 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884540 401563738 /nfs/dbraw/zinc/56/37/38/401563738.db2.gz KRTHBZCDNYVSPK-ZFWWWQNUSA-N 2 2 309.251 3.023 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884540 401563741 /nfs/dbraw/zinc/56/37/41/401563741.db2.gz KRTHBZCDNYVSPK-ZFWWWQNUSA-N 2 2 309.251 3.023 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)[nH+]1 ZINC000628323903 401576828 /nfs/dbraw/zinc/57/68/28/401576828.db2.gz TVTDNUHIVYFALJ-BBWFWOEESA-N 2 2 312.461 3.201 20 0 DGADLP Cc1c[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)[nH+]1 ZINC000628323903 401576830 /nfs/dbraw/zinc/57/68/30/401576830.db2.gz TVTDNUHIVYFALJ-BBWFWOEESA-N 2 2 312.461 3.201 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628394535 401589169 /nfs/dbraw/zinc/58/91/69/401589169.db2.gz YZKQPARXJBMNQN-AWEZNQCLSA-N 2 2 305.372 3.386 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628394535 401589170 /nfs/dbraw/zinc/58/91/70/401589170.db2.gz YZKQPARXJBMNQN-AWEZNQCLSA-N 2 2 305.372 3.386 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCc4scnc43)[nH+]c12 ZINC000623901288 401596464 /nfs/dbraw/zinc/59/64/64/401596464.db2.gz DWKURMRXLMECHX-CQSZACIVSA-N 2 2 312.442 3.309 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Cl ZINC000623561502 401547082 /nfs/dbraw/zinc/54/70/82/401547082.db2.gz PBKUMSDZDRBKBR-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1Cl ZINC000623561502 401547083 /nfs/dbraw/zinc/54/70/83/401547083.db2.gz PBKUMSDZDRBKBR-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CC(CF)(CF)C3)C2)cc1 ZINC000631748448 401549341 /nfs/dbraw/zinc/54/93/41/401549341.db2.gz GCDUCDKWNLXRRW-MRXNPFEDSA-N 2 2 308.416 3.247 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CC(CF)(CF)C3)C2)cc1 ZINC000631748448 401549342 /nfs/dbraw/zinc/54/93/42/401549342.db2.gz GCDUCDKWNLXRRW-MRXNPFEDSA-N 2 2 308.416 3.247 20 0 DGADLP Cc1cc(C)c(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(C)[nH+]1 ZINC000631827999 401559510 /nfs/dbraw/zinc/55/95/10/401559510.db2.gz BVQKNVSUNUTNRG-PKOBYXMFSA-N 2 2 313.420 3.073 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000624110368 401627652 /nfs/dbraw/zinc/62/76/52/401627652.db2.gz WMOASNUSXLJWRH-NZSAHSFTSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000624110368 401627653 /nfs/dbraw/zinc/62/76/53/401627653.db2.gz WMOASNUSXLJWRH-NZSAHSFTSA-N 2 2 304.478 3.209 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230939 401641888 /nfs/dbraw/zinc/64/18/88/401641888.db2.gz LHWMNKUTUGXFQI-CGTJXYLNSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230939 401641891 /nfs/dbraw/zinc/64/18/91/401641891.db2.gz LHWMNKUTUGXFQI-CGTJXYLNSA-N 2 2 322.880 3.022 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991458 401609920 /nfs/dbraw/zinc/60/99/20/401609920.db2.gz HTQDSNPCJLPDOK-IEBWSBKVSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991458 401609923 /nfs/dbraw/zinc/60/99/23/401609923.db2.gz HTQDSNPCJLPDOK-IEBWSBKVSA-N 2 2 304.478 3.191 20 0 DGADLP CO[C@H](C)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000358669508 286120008 /nfs/dbraw/zinc/12/00/08/286120008.db2.gz UMBLQKRZVWRQPZ-CQSZACIVSA-N 2 2 310.869 3.319 20 0 DGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000358818861 286160903 /nfs/dbraw/zinc/16/09/03/286160903.db2.gz DMVUNPYITZXRDG-KSSFIOAISA-N 2 2 305.441 3.353 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1C ZINC000411939560 286182835 /nfs/dbraw/zinc/18/28/35/286182835.db2.gz KKRROXNZPFHDRK-FUHWJXTLSA-N 2 2 312.413 3.015 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1C ZINC000411939560 286182836 /nfs/dbraw/zinc/18/28/36/286182836.db2.gz KKRROXNZPFHDRK-FUHWJXTLSA-N 2 2 312.413 3.015 20 0 DGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)cn1 ZINC000287616958 286246813 /nfs/dbraw/zinc/24/68/13/286246813.db2.gz JPWUSMXOFRBMFH-ZDUSSCGKSA-N 2 2 321.440 3.287 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCO[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359310511 286280579 /nfs/dbraw/zinc/28/05/79/286280579.db2.gz JTUWKHMXXLPFKA-LSTHTHJFSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H]1CCO[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000359310511 286280581 /nfs/dbraw/zinc/28/05/81/286280581.db2.gz JTUWKHMXXLPFKA-LSTHTHJFSA-N 2 2 316.489 3.226 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703870 286305295 /nfs/dbraw/zinc/30/52/95/286305295.db2.gz XGRRBLRQPYNRRF-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703870 286305297 /nfs/dbraw/zinc/30/52/97/286305297.db2.gz XGRRBLRQPYNRRF-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703870 286305300 /nfs/dbraw/zinc/30/53/00/286305300.db2.gz XGRRBLRQPYNRRF-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703870 286305303 /nfs/dbraw/zinc/30/53/03/286305303.db2.gz XGRRBLRQPYNRRF-WMZOPIPTSA-N 2 2 317.477 3.177 20 0 DGADLP COCC1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295512198 292265002 /nfs/dbraw/zinc/26/50/02/292265002.db2.gz VAIMNRFZNMKQHA-GSHBMFQSSA-N 2 2 304.478 3.473 20 0 DGADLP Cn1cc[nH+]c1CNc1cc[nH+]c2cc(Br)ccc12 ZINC000359489058 286318975 /nfs/dbraw/zinc/31/89/75/286318975.db2.gz PTOIJXFEVKVDEI-UHFFFAOYSA-N 2 2 317.190 3.343 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523152 286326208 /nfs/dbraw/zinc/32/62/08/286326208.db2.gz GQESERVBGQOFDT-ZBFHGGJFSA-N 2 2 310.507 3.372 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523152 286326211 /nfs/dbraw/zinc/32/62/11/286326211.db2.gz GQESERVBGQOFDT-ZBFHGGJFSA-N 2 2 310.507 3.372 20 0 DGADLP CC[C@H](C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1)[NH+](CC)CC ZINC000359686684 286361000 /nfs/dbraw/zinc/36/10/00/286361000.db2.gz VUKSGLAMIMITBT-MRXNPFEDSA-N 2 2 314.433 3.444 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000423322278 286363124 /nfs/dbraw/zinc/36/31/24/286363124.db2.gz GKCQPHYBCKVBKN-KSZLIROESA-N 2 2 300.446 3.063 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccc(F)cc2)cc1 ZINC000423310424 286375934 /nfs/dbraw/zinc/37/59/34/286375934.db2.gz AKZZJEBFVIPYFI-RTBURBONSA-N 2 2 314.404 3.251 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C12CCCC2 ZINC000447592510 286388525 /nfs/dbraw/zinc/38/85/25/286388525.db2.gz LZCAOSWAMYKTCD-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C12CCCC2 ZINC000447592510 286388526 /nfs/dbraw/zinc/38/85/26/286388526.db2.gz LZCAOSWAMYKTCD-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000359952869 286396189 /nfs/dbraw/zinc/39/61/89/286396189.db2.gz QVEKNVFYDIMMDV-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000360167050 286434827 /nfs/dbraw/zinc/43/48/27/286434827.db2.gz UXWPWLYKMLWVRM-CQSZACIVSA-N 2 2 321.534 3.480 20 0 DGADLP c1cn(-c2cccc(CNc3cc[nH+]c4ccccc34)c2)c[nH+]1 ZINC000360325209 286462253 /nfs/dbraw/zinc/46/22/53/286462253.db2.gz NZSKHQVHPGUATK-UHFFFAOYSA-N 2 2 300.365 3.455 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000360655504 286515378 /nfs/dbraw/zinc/51/53/78/286515378.db2.gz DENXITJEAJZFNH-VQIMIIECSA-N 2 2 316.489 3.500 20 0 DGADLP Cc1nc(NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc[nH+]1 ZINC000361024913 286579708 /nfs/dbraw/zinc/57/97/08/286579708.db2.gz GDYWVTJMLMCFHM-HNNXBMFYSA-N 2 2 310.445 3.282 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000361221708 286626699 /nfs/dbraw/zinc/62/66/99/286626699.db2.gz UULPAGIWBQCTOD-LJQANCHMSA-N 2 2 316.489 3.461 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCOc2c(F)ccc(F)c21 ZINC000361249799 286634676 /nfs/dbraw/zinc/63/46/76/286634676.db2.gz GUIYMBXLVYPILK-AWEZNQCLSA-N 2 2 319.355 3.039 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC[C@H](C)O)CC1 ZINC000361347803 286658401 /nfs/dbraw/zinc/65/84/01/286658401.db2.gz ZDIHTZUOJWKICO-AWEZNQCLSA-N 2 2 301.434 3.143 20 0 DGADLP FC(F)C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000361426503 286671637 /nfs/dbraw/zinc/67/16/37/286671637.db2.gz OMKXQYRUFWPICW-UHFFFAOYSA-N 2 2 300.315 3.038 20 0 DGADLP CCSCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361803050 286728658 /nfs/dbraw/zinc/72/86/58/286728658.db2.gz DCZKAHCBJBALLU-HNNXBMFYSA-N 2 2 307.507 3.167 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1Cl ZINC000423381855 286919737 /nfs/dbraw/zinc/91/97/37/286919737.db2.gz ZWGNTFYGOUOSFR-QPUJVOFHSA-N 2 2 305.647 3.490 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000177272108 287012982 /nfs/dbraw/zinc/01/29/82/287012982.db2.gz MRRLFOSBMCILIT-MRXNPFEDSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000126890766 287014424 /nfs/dbraw/zinc/01/44/24/287014424.db2.gz AJVSBKJXHAPAER-MSOLQXFVSA-N 2 2 312.461 3.353 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000126890766 287014425 /nfs/dbraw/zinc/01/44/25/287014425.db2.gz AJVSBKJXHAPAER-MSOLQXFVSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1Cl ZINC000098143740 287031560 /nfs/dbraw/zinc/03/15/60/287031560.db2.gz QJPZIRHBUOODGZ-HUUCEWRRSA-N 2 2 310.869 3.083 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCSCC1 ZINC000187027295 165073314 /nfs/dbraw/zinc/07/33/14/165073314.db2.gz LBHZAJMFTRHJCQ-OAHLLOKOSA-N 2 2 319.518 3.167 20 0 DGADLP COc1ccc2nc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)sc2c1 ZINC000187074745 165074791 /nfs/dbraw/zinc/07/47/91/165074791.db2.gz YRQQNXMIDYUKBU-ZDUSSCGKSA-N 2 2 319.474 3.079 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)sc2c1 ZINC000187074745 165074796 /nfs/dbraw/zinc/07/47/96/165074796.db2.gz YRQQNXMIDYUKBU-ZDUSSCGKSA-N 2 2 319.474 3.079 20 0 DGADLP COc1ccc2nc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)sc2c1 ZINC000187074745 165074799 /nfs/dbraw/zinc/07/47/99/165074799.db2.gz YRQQNXMIDYUKBU-ZDUSSCGKSA-N 2 2 319.474 3.079 20 0 DGADLP COc1ccc2nc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)sc2c1 ZINC000187074745 165074803 /nfs/dbraw/zinc/07/48/03/165074803.db2.gz YRQQNXMIDYUKBU-ZDUSSCGKSA-N 2 2 319.474 3.079 20 0 DGADLP C[N@@H+](Cc1ccc(F)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189349895 165159021 /nfs/dbraw/zinc/15/90/21/165159021.db2.gz NVCSPHCRSAYOLX-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccc(F)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189349895 165159031 /nfs/dbraw/zinc/15/90/31/165159031.db2.gz NVCSPHCRSAYOLX-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189349895 165159037 /nfs/dbraw/zinc/15/90/37/165159037.db2.gz NVCSPHCRSAYOLX-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189349895 165159042 /nfs/dbraw/zinc/15/90/42/165159042.db2.gz NVCSPHCRSAYOLX-GOSISDBHSA-N 2 2 313.420 3.175 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520354 165257544 /nfs/dbraw/zinc/25/75/44/165257544.db2.gz KQWFZVOMJNSFDZ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520354 165257546 /nfs/dbraw/zinc/25/75/46/165257546.db2.gz KQWFZVOMJNSFDZ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CC)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191520354 165257550 /nfs/dbraw/zinc/25/75/50/165257550.db2.gz KQWFZVOMJNSFDZ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CC)CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191520354 165257553 /nfs/dbraw/zinc/25/75/53/165257553.db2.gz KQWFZVOMJNSFDZ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1ccccn1 ZINC000192132927 165283019 /nfs/dbraw/zinc/28/30/19/165283019.db2.gz LROYZUXXHFCLAD-UHFFFAOYSA-N 2 2 306.413 3.250 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1ccccn1 ZINC000192132927 165283021 /nfs/dbraw/zinc/28/30/21/165283021.db2.gz LROYZUXXHFCLAD-UHFFFAOYSA-N 2 2 306.413 3.250 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000192167808 165284988 /nfs/dbraw/zinc/28/49/88/165284988.db2.gz RWDFEYWZZTXYLP-MJGOQNOKSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000192167808 165284990 /nfs/dbraw/zinc/28/49/90/165284990.db2.gz RWDFEYWZZTXYLP-MJGOQNOKSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000192166674 165285155 /nfs/dbraw/zinc/28/51/55/165285155.db2.gz JNZOHBRPBUEAET-HNNXBMFYSA-N 2 2 309.417 3.107 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1F ZINC000192970363 165313198 /nfs/dbraw/zinc/31/31/98/165313198.db2.gz XTTYVYXPSANYNW-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1F ZINC000192970363 165313200 /nfs/dbraw/zinc/31/32/00/165313200.db2.gz XTTYVYXPSANYNW-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219576660 165379907 /nfs/dbraw/zinc/37/99/07/165379907.db2.gz FMHQTLVEDPHNKB-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219576660 165379908 /nfs/dbraw/zinc/37/99/08/165379908.db2.gz FMHQTLVEDPHNKB-CYBMUJFWSA-N 2 2 302.340 3.159 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000365272236 287116654 /nfs/dbraw/zinc/11/66/54/287116654.db2.gz IIHMDKABZBATSC-ROUUACIJSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000365272236 287116656 /nfs/dbraw/zinc/11/66/56/287116656.db2.gz IIHMDKABZBATSC-ROUUACIJSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000365277148 287116976 /nfs/dbraw/zinc/11/69/76/287116976.db2.gz SWVBJEIGYFHEHC-QGZVFWFLSA-N 2 2 307.401 3.241 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000365277148 287116977 /nfs/dbraw/zinc/11/69/77/287116977.db2.gz SWVBJEIGYFHEHC-QGZVFWFLSA-N 2 2 307.401 3.241 20 0 DGADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631953 287156414 /nfs/dbraw/zinc/15/64/14/287156414.db2.gz RYGLPJLPFIKHRH-QGZVFWFLSA-N 2 2 311.429 3.181 20 0 DGADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631953 287156417 /nfs/dbraw/zinc/15/64/17/287156417.db2.gz RYGLPJLPFIKHRH-QGZVFWFLSA-N 2 2 311.429 3.181 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000365650408 287158109 /nfs/dbraw/zinc/15/81/09/287158109.db2.gz RKJQMOPNTDSYDA-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000365650408 287158111 /nfs/dbraw/zinc/15/81/11/287158111.db2.gz RKJQMOPNTDSYDA-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)CCC2 ZINC000365872994 287182767 /nfs/dbraw/zinc/18/27/67/287182767.db2.gz LBVRGLSXUBUNAN-VVLHAWIVSA-N 2 2 315.461 3.006 20 0 DGADLP CCCCc1noc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000136313040 432152550 /nfs/dbraw/zinc/15/25/50/432152550.db2.gz QTPXRFNYSMUFSS-CYBMUJFWSA-N 2 2 305.426 3.000 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000136289898 432152573 /nfs/dbraw/zinc/15/25/73/432152573.db2.gz WBDGUZMOKNKULE-ZDUSSCGKSA-N 2 2 322.478 3.268 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000136289898 432152576 /nfs/dbraw/zinc/15/25/76/432152576.db2.gz WBDGUZMOKNKULE-ZDUSSCGKSA-N 2 2 322.478 3.268 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246661013 432151676 /nfs/dbraw/zinc/15/16/76/432151676.db2.gz SBHOSHZPCAQFQM-GJZGRUSLSA-N 2 2 324.415 3.070 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246661013 432151679 /nfs/dbraw/zinc/15/16/79/432151679.db2.gz SBHOSHZPCAQFQM-GJZGRUSLSA-N 2 2 324.415 3.070 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129437886 196048422 /nfs/dbraw/zinc/04/84/22/196048422.db2.gz OZNNYTZMHWJZQP-SNVBAGLBSA-N 2 2 301.287 3.219 20 0 DGADLP C[C@@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000182218592 432167536 /nfs/dbraw/zinc/16/75/36/432167536.db2.gz BRTHICWGQFKQNZ-CVEARBPZSA-N 2 2 321.465 3.278 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000182218592 432167537 /nfs/dbraw/zinc/16/75/37/432167537.db2.gz BRTHICWGQFKQNZ-CVEARBPZSA-N 2 2 321.465 3.278 20 0 DGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cs1 ZINC000269430504 432172223 /nfs/dbraw/zinc/17/22/23/432172223.db2.gz PGJLXKJJKLPUKO-ZDUSSCGKSA-N 2 2 319.474 3.243 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000246903104 432179076 /nfs/dbraw/zinc/17/90/76/432179076.db2.gz FIEIIQLIOXLSDG-QWQRMKEZSA-N 2 2 316.445 3.124 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000246903104 432179080 /nfs/dbraw/zinc/17/90/80/432179080.db2.gz FIEIIQLIOXLSDG-QWQRMKEZSA-N 2 2 316.445 3.124 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137208980 432173668 /nfs/dbraw/zinc/17/36/68/432173668.db2.gz IZQJSDZCVJTNAQ-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137208980 432173670 /nfs/dbraw/zinc/17/36/70/432173670.db2.gz IZQJSDZCVJTNAQ-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246952216 432185102 /nfs/dbraw/zinc/18/51/02/432185102.db2.gz HLJYAVGRNYXAST-VDZJLULYSA-N 3 2 312.461 3.396 20 0 DGADLP Clc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246998004 432190744 /nfs/dbraw/zinc/19/07/44/432190744.db2.gz WSKXOXPENZVMHD-FZMZJTMJSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246998004 432190746 /nfs/dbraw/zinc/19/07/46/432190746.db2.gz WSKXOXPENZVMHD-FZMZJTMJSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246998004 432190751 /nfs/dbraw/zinc/19/07/51/432190751.db2.gz WSKXOXPENZVMHD-FZMZJTMJSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246998004 432190752 /nfs/dbraw/zinc/19/07/52/432190752.db2.gz WSKXOXPENZVMHD-FZMZJTMJSA-N 2 2 311.882 3.245 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247073303 432199966 /nfs/dbraw/zinc/19/99/66/432199966.db2.gz OJNUAFKQJBBQLC-NCXUSEDFSA-N 3 2 309.542 3.061 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247073303 432199972 /nfs/dbraw/zinc/19/99/72/432199972.db2.gz OJNUAFKQJBBQLC-NCXUSEDFSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H](C)c1nc2ccccc2s1 ZINC000247036389 432194400 /nfs/dbraw/zinc/19/44/00/432194400.db2.gz MMGZHVCHABNLBJ-MELADBBJSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H](C)c1nc2ccccc2s1 ZINC000247036389 432194404 /nfs/dbraw/zinc/19/44/04/432194404.db2.gz MMGZHVCHABNLBJ-MELADBBJSA-N 2 2 303.475 3.472 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000130642907 196097965 /nfs/dbraw/zinc/09/79/65/196097965.db2.gz IVUKBOLWHMKVTJ-GFCCVEGCSA-N 2 2 301.356 3.490 20 0 DGADLP CC(C)C[N@H+]1CC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000130642907 196097967 /nfs/dbraw/zinc/09/79/67/196097967.db2.gz IVUKBOLWHMKVTJ-GFCCVEGCSA-N 2 2 301.356 3.490 20 0 DGADLP COc1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000182664028 432215698 /nfs/dbraw/zinc/21/56/98/432215698.db2.gz ZQMRMQANBURDKZ-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP COc1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000182664028 432215700 /nfs/dbraw/zinc/21/57/00/432215700.db2.gz ZQMRMQANBURDKZ-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP CC[N@H+](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000132388008 196252150 /nfs/dbraw/zinc/25/21/50/196252150.db2.gz HBASMQYLLGLFDA-UHFFFAOYSA-N 2 2 311.385 3.297 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000132388008 196252153 /nfs/dbraw/zinc/25/21/53/196252153.db2.gz HBASMQYLLGLFDA-UHFFFAOYSA-N 2 2 311.385 3.297 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000132853370 196290562 /nfs/dbraw/zinc/29/05/62/196290562.db2.gz BUUFJPOURXJDST-KGLIPLIRSA-N 2 2 324.415 3.116 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000154538308 227101534 /nfs/dbraw/zinc/10/15/34/227101534.db2.gz ZJUGVBHHVDJJPI-VHSXEESVSA-N 2 2 303.269 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)s1 ZINC000154538308 227101539 /nfs/dbraw/zinc/10/15/39/227101539.db2.gz ZJUGVBHHVDJJPI-VHSXEESVSA-N 2 2 303.269 3.255 20 0 DGADLP COCC1([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000291292164 222291092 /nfs/dbraw/zinc/29/10/92/222291092.db2.gz ZWURFZFHQAUJNW-UHFFFAOYSA-N 2 2 322.880 3.463 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC[C@H](c1cccs1)[NH+](C)C ZINC000178799531 228346914 /nfs/dbraw/zinc/34/69/14/228346914.db2.gz YNKOTYVORLFUDP-CQSZACIVSA-N 2 2 300.431 3.350 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NC[C@H](C)C[NH+]3CCCC3)c2c1 ZINC000301968247 230009997 /nfs/dbraw/zinc/00/99/97/230009997.db2.gz PIRBOGSPVLPSDY-ZDUSSCGKSA-N 2 2 314.433 3.091 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCN1C ZINC000346326450 264011724 /nfs/dbraw/zinc/01/17/24/264011724.db2.gz HZSYDHNTYAVOCH-KVPLUYHFSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCN1C ZINC000346326450 264011726 /nfs/dbraw/zinc/01/17/26/264011726.db2.gz HZSYDHNTYAVOCH-KVPLUYHFSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000346326448 264011854 /nfs/dbraw/zinc/01/18/54/264011854.db2.gz HZSYDHNTYAVOCH-IZBJGVDFSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000346326448 264011856 /nfs/dbraw/zinc/01/18/56/264011856.db2.gz HZSYDHNTYAVOCH-IZBJGVDFSA-N 2 2 315.505 3.112 20 0 DGADLP Cc1cc([C@@H]([NH2+]CCC[NH+](C)C)c2cccnc2)ccc1F ZINC000346471887 264038184 /nfs/dbraw/zinc/03/81/84/264038184.db2.gz DIYTVAGREAYRMJ-GOSISDBHSA-N 2 2 301.409 3.160 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC[N@@H+]1C ZINC000346566856 264056309 /nfs/dbraw/zinc/05/63/09/264056309.db2.gz LUXDETXIAYXFNQ-ZMYBRWDISA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC[N@H+]1C ZINC000346566856 264056311 /nfs/dbraw/zinc/05/63/11/264056311.db2.gz LUXDETXIAYXFNQ-ZMYBRWDISA-N 2 2 313.420 3.382 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCOCC1 ZINC000346590335 264060358 /nfs/dbraw/zinc/06/03/58/264060358.db2.gz HJWRKFLYSMBKNN-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCOCC1 ZINC000346590335 264060359 /nfs/dbraw/zinc/06/03/59/264060359.db2.gz HJWRKFLYSMBKNN-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346656573 264073638 /nfs/dbraw/zinc/07/36/38/264073638.db2.gz GMBMBMDQNIWAHJ-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346656573 264073640 /nfs/dbraw/zinc/07/36/40/264073640.db2.gz GMBMBMDQNIWAHJ-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346666872 264076583 /nfs/dbraw/zinc/07/65/83/264076583.db2.gz DPUBEKYAKCWXPC-GOSISDBHSA-N 2 2 320.440 3.209 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346666872 264076585 /nfs/dbraw/zinc/07/65/85/264076585.db2.gz DPUBEKYAKCWXPC-GOSISDBHSA-N 2 2 320.440 3.209 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000346673030 264077898 /nfs/dbraw/zinc/07/78/98/264077898.db2.gz RLAREIQWWNEPOE-UKRRQHHQSA-N 2 2 314.424 3.268 20 0 DGADLP CCOc1c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)nn1CC(C)C ZINC000346695137 264081454 /nfs/dbraw/zinc/08/14/54/264081454.db2.gz YMHUPEZEAWTCOB-QGZVFWFLSA-N 2 2 324.513 3.051 20 0 DGADLP CCOc1c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)nn1CC(C)C ZINC000346695137 264081456 /nfs/dbraw/zinc/08/14/56/264081456.db2.gz YMHUPEZEAWTCOB-QGZVFWFLSA-N 2 2 324.513 3.051 20 0 DGADLP c1ccc(C2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000346729113 264086453 /nfs/dbraw/zinc/08/64/53/264086453.db2.gz CCAIWDCCWFMZQF-UHFFFAOYSA-N 2 2 307.441 3.325 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@@H]1C[NH3+] ZINC000347004509 264138233 /nfs/dbraw/zinc/13/82/33/264138233.db2.gz AAGNVRZBGHKTSX-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@@H]1C[NH3+] ZINC000347004509 264138234 /nfs/dbraw/zinc/13/82/34/264138234.db2.gz AAGNVRZBGHKTSX-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347014868 264139896 /nfs/dbraw/zinc/13/98/96/264139896.db2.gz AFTYTIMYTXKOTH-GJZGRUSLSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347014868 264139898 /nfs/dbraw/zinc/13/98/98/264139898.db2.gz AFTYTIMYTXKOTH-GJZGRUSLSA-N 2 2 300.450 3.006 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347035411 264144964 /nfs/dbraw/zinc/14/49/64/264144964.db2.gz GRNCGDQMLRKEEJ-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000347035411 264144968 /nfs/dbraw/zinc/14/49/68/264144968.db2.gz GRNCGDQMLRKEEJ-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347071480 264151869 /nfs/dbraw/zinc/15/18/69/264151869.db2.gz QDRJIQJNFGTTGX-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347071480 264151872 /nfs/dbraw/zinc/15/18/72/264151872.db2.gz QDRJIQJNFGTTGX-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OC ZINC000347086444 264153957 /nfs/dbraw/zinc/15/39/57/264153957.db2.gz DVZJSGVCERVUDO-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OC ZINC000347086444 264153960 /nfs/dbraw/zinc/15/39/60/264153960.db2.gz DVZJSGVCERVUDO-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000347098581 264156276 /nfs/dbraw/zinc/15/62/76/264156276.db2.gz JCEHDTLVRLELPV-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000347109532 264158267 /nfs/dbraw/zinc/15/82/67/264158267.db2.gz NNRNCGRYNDDMEU-XHDPSFHLSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000347109532 264158268 /nfs/dbraw/zinc/15/82/68/264158268.db2.gz NNRNCGRYNDDMEU-XHDPSFHLSA-N 2 2 305.422 3.118 20 0 DGADLP CCc1cccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347116718 264159694 /nfs/dbraw/zinc/15/96/94/264159694.db2.gz XAMGRCCUFBOFLA-IBGZPJMESA-N 2 2 312.413 3.176 20 0 DGADLP c1cn(Cc2ccccc2)c(CN2CC[NH2+]CC23CCCCC3)[nH+]1 ZINC000347184656 264172394 /nfs/dbraw/zinc/17/23/94/264172394.db2.gz YEWCZEANNLRWKX-UHFFFAOYSA-N 2 2 324.472 3.040 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1(C)CC1 ZINC000347266641 264186831 /nfs/dbraw/zinc/18/68/31/264186831.db2.gz ZBSMXCCQBJOCAR-CQSZACIVSA-N 2 2 302.466 3.213 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347304064 264193298 /nfs/dbraw/zinc/19/32/98/264193298.db2.gz IADCEXSCFVIBER-YLJYHZDGSA-N 2 2 324.472 3.239 20 0 DGADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc(C)cc[nH+]2)cc1 ZINC000347759395 264279310 /nfs/dbraw/zinc/27/93/10/264279310.db2.gz YIHYPLGRIBXWHX-GOSISDBHSA-N 2 2 311.429 3.184 20 0 DGADLP CC[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)[C@@H](CC)CN1C(C)=O ZINC000347857525 264296791 /nfs/dbraw/zinc/29/67/91/264296791.db2.gz OXXJQXWANYAPLL-OALUTQOASA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)[C@@H](CC)CN1C(C)=O ZINC000347857525 264296792 /nfs/dbraw/zinc/29/67/92/264296792.db2.gz OXXJQXWANYAPLL-OALUTQOASA-N 2 2 317.477 3.044 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)s1 ZINC000347868997 264298511 /nfs/dbraw/zinc/29/85/11/264298511.db2.gz DTOWFZIHLMCUPI-ZIAGYGMSSA-N 2 2 311.520 3.065 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)s1 ZINC000347868997 264298512 /nfs/dbraw/zinc/29/85/12/264298512.db2.gz DTOWFZIHLMCUPI-ZIAGYGMSSA-N 2 2 311.520 3.065 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348083052 264336618 /nfs/dbraw/zinc/33/66/18/264336618.db2.gz KCTSLWLWWNTSNE-KBPBESRZSA-N 2 2 309.429 3.144 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348083052 264336619 /nfs/dbraw/zinc/33/66/19/264336619.db2.gz KCTSLWLWWNTSNE-KBPBESRZSA-N 2 2 309.429 3.144 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000348129400 264348170 /nfs/dbraw/zinc/34/81/70/264348170.db2.gz FNPLLRISIRHEQR-XMSQKQJNSA-N 2 2 316.470 3.032 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150713 264353258 /nfs/dbraw/zinc/35/32/58/264353258.db2.gz FTQNPAONPISYCX-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150713 264353260 /nfs/dbraw/zinc/35/32/60/264353260.db2.gz FTQNPAONPISYCX-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150713 264353262 /nfs/dbraw/zinc/35/32/62/264353262.db2.gz FTQNPAONPISYCX-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000348150713 264353264 /nfs/dbraw/zinc/35/32/64/264353264.db2.gz FTQNPAONPISYCX-PBHICJAKSA-N 2 2 306.425 3.203 20 0 DGADLP Cc1ccncc1CCC[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348185301 264359180 /nfs/dbraw/zinc/35/91/80/264359180.db2.gz JUBVBERNXPINBJ-GOSISDBHSA-N 2 2 324.472 3.345 20 0 DGADLP Cc1ccncc1CCC[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348185301 264359181 /nfs/dbraw/zinc/35/91/81/264359181.db2.gz JUBVBERNXPINBJ-GOSISDBHSA-N 2 2 324.472 3.345 20 0 DGADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000348183499 264360039 /nfs/dbraw/zinc/36/00/39/264360039.db2.gz CMSPRLVZOTYBEL-DSSZZKGTSA-N 2 2 303.356 3.012 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)cn1 ZINC000349352195 264514257 /nfs/dbraw/zinc/51/42/57/264514257.db2.gz QVJFMNCSJYYNHE-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)cn1 ZINC000349352195 264514258 /nfs/dbraw/zinc/51/42/58/264514258.db2.gz QVJFMNCSJYYNHE-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2c[nH+]c3c(c2)CCCC3)s1 ZINC000351639803 264760577 /nfs/dbraw/zinc/76/05/77/264760577.db2.gz DUWXYBNGQBFFSD-UHFFFAOYSA-N 2 2 302.447 3.091 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494362 265068226 /nfs/dbraw/zinc/06/82/26/265068226.db2.gz ASIKPUUIKDSHRN-ZRGWGRIASA-N 2 2 311.429 3.475 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494362 265068230 /nfs/dbraw/zinc/06/82/30/265068230.db2.gz ASIKPUUIKDSHRN-ZRGWGRIASA-N 2 2 311.429 3.475 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)Cc1ccccc1 ZINC000352700335 265134280 /nfs/dbraw/zinc/13/42/80/265134280.db2.gz MYGNPKUXSVPXOT-LXPRWKDFSA-N 2 2 304.478 3.095 20 0 DGADLP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352704030 265135647 /nfs/dbraw/zinc/13/56/47/265135647.db2.gz HEFKZGZEZCYIHR-OAHLLOKOSA-N 2 2 317.458 3.127 20 0 DGADLP CC(C)(C)OC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352720250 265140421 /nfs/dbraw/zinc/14/04/21/265140421.db2.gz KJXFMKSBJHVUEM-AOCRQIFASA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)(C)OC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352720250 265140423 /nfs/dbraw/zinc/14/04/23/265140423.db2.gz KJXFMKSBJHVUEM-AOCRQIFASA-N 2 2 302.462 3.197 20 0 DGADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000352757116 265154385 /nfs/dbraw/zinc/15/43/85/265154385.db2.gz DOJVHXMHUNPKCC-HXUWFJFHSA-N 2 2 309.457 3.398 20 0 DGADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000352757116 265154387 /nfs/dbraw/zinc/15/43/87/265154387.db2.gz DOJVHXMHUNPKCC-HXUWFJFHSA-N 2 2 309.457 3.398 20 0 DGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352780818 265164482 /nfs/dbraw/zinc/16/44/82/265164482.db2.gz QSQNVGJGFYHVBU-LLVKDONJSA-N 2 2 323.437 3.203 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812083 265177533 /nfs/dbraw/zinc/17/75/33/265177533.db2.gz YOHUJEGKGWKSFF-YZVOILCLSA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812083 265177534 /nfs/dbraw/zinc/17/75/34/265177534.db2.gz YOHUJEGKGWKSFF-YZVOILCLSA-N 2 2 310.445 3.006 20 0 DGADLP CSc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000352834383 265187455 /nfs/dbraw/zinc/18/74/55/265187455.db2.gz LUZNYCAVPNCLKY-CHWSQXEVSA-N 2 2 314.520 3.059 20 0 DGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC[NH+](C)C ZINC000352841890 265193063 /nfs/dbraw/zinc/19/30/63/265193063.db2.gz TWCOVCUGZOVJIS-UHFFFAOYSA-N 2 2 304.265 3.101 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)cc[nH+]1 ZINC000352904670 265223074 /nfs/dbraw/zinc/22/30/74/265223074.db2.gz VSBCDHJSKWBADW-UHFFFAOYSA-N 2 2 322.456 3.375 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+]CC1(C)COC1)c1ccc(Cl)cc1 ZINC000352923600 265231688 /nfs/dbraw/zinc/23/16/88/265231688.db2.gz IBHQLXMKEUTPFX-MRXNPFEDSA-N 2 2 310.869 3.349 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+]CC1(C)COC1)c1ccc(Cl)cc1 ZINC000352923600 265231691 /nfs/dbraw/zinc/23/16/91/265231691.db2.gz IBHQLXMKEUTPFX-MRXNPFEDSA-N 2 2 310.869 3.349 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1O ZINC000353265648 265368787 /nfs/dbraw/zinc/36/87/87/265368787.db2.gz ZFBOVDJVZVUFIY-DZGCQCFKSA-N 2 2 315.417 3.134 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C12CCC2 ZINC000172685869 432229528 /nfs/dbraw/zinc/22/95/28/432229528.db2.gz WQVJIYYWIRLPOB-ROUUACIJSA-N 2 2 313.445 3.282 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354513801 265795461 /nfs/dbraw/zinc/79/54/61/265795461.db2.gz ZFYOXTNWTNOBOT-MRXNPFEDSA-N 2 2 314.429 3.388 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccco2)CC1 ZINC000354673727 265840646 /nfs/dbraw/zinc/84/06/46/265840646.db2.gz FLQFXRHYEAGDQL-UHFFFAOYSA-N 2 2 311.360 3.289 20 0 DGADLP CCc1cnc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000355212146 266000750 /nfs/dbraw/zinc/00/07/50/266000750.db2.gz DNSIYENJNBCZNY-MRXNPFEDSA-N 2 2 315.486 3.317 20 0 DGADLP CCc1cnc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000355212146 266000751 /nfs/dbraw/zinc/00/07/51/266000751.db2.gz DNSIYENJNBCZNY-MRXNPFEDSA-N 2 2 315.486 3.317 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238747 266012228 /nfs/dbraw/zinc/01/22/28/266012228.db2.gz NWOUFZJYDWLSML-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238747 266012229 /nfs/dbraw/zinc/01/22/29/266012229.db2.gz NWOUFZJYDWLSML-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238747 266012230 /nfs/dbraw/zinc/01/22/30/266012230.db2.gz NWOUFZJYDWLSML-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000355238747 266012232 /nfs/dbraw/zinc/01/22/32/266012232.db2.gz NWOUFZJYDWLSML-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP CC1(C)CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000355255666 266017454 /nfs/dbraw/zinc/01/74/54/266017454.db2.gz POQZKHRZMZXYOR-UHFFFAOYSA-N 2 2 321.428 3.059 20 0 DGADLP CC1(C)CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000355255666 266017457 /nfs/dbraw/zinc/01/74/57/266017457.db2.gz POQZKHRZMZXYOR-UHFFFAOYSA-N 2 2 321.428 3.059 20 0 DGADLP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000355329550 266040581 /nfs/dbraw/zinc/04/05/81/266040581.db2.gz JLVDUEYESYPPTQ-FVQBIDKESA-N 2 2 314.433 3.005 20 0 DGADLP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000355329550 266040583 /nfs/dbraw/zinc/04/05/83/266040583.db2.gz JLVDUEYESYPPTQ-FVQBIDKESA-N 2 2 314.433 3.005 20 0 DGADLP CC[C@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000355377700 266056218 /nfs/dbraw/zinc/05/62/18/266056218.db2.gz ZWMJWTUPXKFHES-QGZVFWFLSA-N 2 2 310.445 3.101 20 0 DGADLP c1cn(-c2cccc(C[NH2+]CC3=Cc4ccccc4OC3)c2)c[nH+]1 ZINC000355702337 266161182 /nfs/dbraw/zinc/16/11/82/266161182.db2.gz NGOURQXYEAWTIZ-UHFFFAOYSA-N 2 2 317.392 3.438 20 0 DGADLP CSC1(C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)CCC1 ZINC000356136623 266296411 /nfs/dbraw/zinc/29/64/11/266296411.db2.gz OQCPTUVGZJBKQL-UHFFFAOYSA-N 2 2 319.518 3.444 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]CCc2ccc(F)cc2Cl)CCSC1 ZINC000356192844 266313517 /nfs/dbraw/zinc/31/35/17/266313517.db2.gz LZZRPKIBHNYMGK-HNNXBMFYSA-N 2 2 316.873 3.049 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cscc1C(F)(F)F ZINC000356306756 266348737 /nfs/dbraw/zinc/34/87/37/266348737.db2.gz RCOYYVXFYCURDQ-UHFFFAOYSA-N 2 2 303.353 3.486 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cscc1C(F)(F)F ZINC000356306756 266348739 /nfs/dbraw/zinc/34/87/39/266348739.db2.gz RCOYYVXFYCURDQ-UHFFFAOYSA-N 2 2 303.353 3.486 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000356333638 266356237 /nfs/dbraw/zinc/35/62/37/266356237.db2.gz HOYXNAYKFOSSGO-CYBMUJFWSA-N 2 2 307.800 3.245 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000356333638 266356241 /nfs/dbraw/zinc/35/62/41/266356241.db2.gz HOYXNAYKFOSSGO-CYBMUJFWSA-N 2 2 307.800 3.245 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356339915 266358716 /nfs/dbraw/zinc/35/87/16/266358716.db2.gz OQZRMOPEIMKRQA-SNVBAGLBSA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356339915 266358718 /nfs/dbraw/zinc/35/87/18/266358718.db2.gz OQZRMOPEIMKRQA-SNVBAGLBSA-N 2 2 315.364 3.490 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cncc(F)c1 ZINC000151348217 432239941 /nfs/dbraw/zinc/23/99/41/432239941.db2.gz AAMIVOOHUOZUDJ-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247684904 432246182 /nfs/dbraw/zinc/24/61/82/432246182.db2.gz UTZWXGSDGVBBBI-DLBZAZTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247684904 432246186 /nfs/dbraw/zinc/24/61/86/432246186.db2.gz UTZWXGSDGVBBBI-DLBZAZTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247684904 432246190 /nfs/dbraw/zinc/24/61/90/432246190.db2.gz UTZWXGSDGVBBBI-DLBZAZTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247684904 432246192 /nfs/dbraw/zinc/24/61/92/432246192.db2.gz UTZWXGSDGVBBBI-DLBZAZTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000367697893 271066047 /nfs/dbraw/zinc/06/60/47/271066047.db2.gz DJTSXLRTWVBDLM-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000367697893 271066052 /nfs/dbraw/zinc/06/60/52/271066052.db2.gz DJTSXLRTWVBDLM-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000367697893 271066055 /nfs/dbraw/zinc/06/60/55/271066055.db2.gz DJTSXLRTWVBDLM-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000367697893 271066060 /nfs/dbraw/zinc/06/60/60/271066060.db2.gz DJTSXLRTWVBDLM-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367996560 271108976 /nfs/dbraw/zinc/10/89/76/271108976.db2.gz HWCJSMZQDAQRHD-IRXDYDNUSA-N 3 2 309.542 3.349 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCC2 ZINC000368290089 271150624 /nfs/dbraw/zinc/15/06/24/271150624.db2.gz BZWGUKOTFZSSRU-GOSISDBHSA-N 2 2 320.396 3.140 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000368652206 271188138 /nfs/dbraw/zinc/18/81/38/271188138.db2.gz YQVKYQMLTAOUBT-LBPRGKRZSA-N 2 2 305.447 3.183 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H](C(C)C)[NH+](C)C)c2)[nH+]c1C ZINC000369058468 271236653 /nfs/dbraw/zinc/23/66/53/271236653.db2.gz PUJKDCVULMYXCY-INIZCTEOSA-N 2 2 314.433 3.218 20 0 DGADLP CC(C)Oc1cc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)ccn1 ZINC000183061236 432254689 /nfs/dbraw/zinc/25/46/89/432254689.db2.gz MSLZUUVLWCZTPA-UHFFFAOYSA-N 2 2 314.433 3.120 20 0 DGADLP CC(C)Oc1cc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)ccn1 ZINC000183061236 432254692 /nfs/dbraw/zinc/25/46/92/432254692.db2.gz MSLZUUVLWCZTPA-UHFFFAOYSA-N 2 2 314.433 3.120 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000423385267 273973854 /nfs/dbraw/zinc/97/38/54/273973854.db2.gz ILUBSOGVDPIPHP-AMIZOPFISA-N 2 2 317.658 3.287 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000287094605 273565397 /nfs/dbraw/zinc/56/53/97/273565397.db2.gz PQSFYPLBYFVFFB-CABCVRRESA-N 2 2 305.466 3.067 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000493952636 273805278 /nfs/dbraw/zinc/80/52/78/273805278.db2.gz MLWUFIIBSJOZFA-MOPGFXCFSA-N 2 2 310.441 3.273 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000316686894 274137995 /nfs/dbraw/zinc/13/79/95/274137995.db2.gz NQLJUEHUZURHBA-QRVBRYPASA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000316686894 274137996 /nfs/dbraw/zinc/13/79/96/274137996.db2.gz NQLJUEHUZURHBA-QRVBRYPASA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495091462 274141653 /nfs/dbraw/zinc/14/16/53/274141653.db2.gz SKHRNPUPYNJYCC-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495091462 274141658 /nfs/dbraw/zinc/14/16/58/274141658.db2.gz SKHRNPUPYNJYCC-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000495091462 274141661 /nfs/dbraw/zinc/14/16/61/274141661.db2.gz SKHRNPUPYNJYCC-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000495091462 274141664 /nfs/dbraw/zinc/14/16/64/274141664.db2.gz SKHRNPUPYNJYCC-VQIMIIECSA-N 2 2 310.441 3.374 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000423379850 274216969 /nfs/dbraw/zinc/21/69/69/274216969.db2.gz XYGBPWKMDCUJJX-JVXZTZIISA-N 2 2 303.631 3.027 20 0 DGADLP CS[C@@H]1CN(c2cc(C)[nH+]c3c(F)cccc23)C[C@H]1[NH+](C)C ZINC000340753088 274181972 /nfs/dbraw/zinc/18/19/72/274181972.db2.gz KUIRDHVRFHDXGQ-HZPDHXFCSA-N 2 2 319.449 3.164 20 0 DGADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425327631 274275917 /nfs/dbraw/zinc/27/59/17/274275917.db2.gz PTLPRPKZPGNYDW-ZDUSSCGKSA-N 2 2 312.417 3.425 20 0 DGADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425327631 274275918 /nfs/dbraw/zinc/27/59/18/274275918.db2.gz PTLPRPKZPGNYDW-ZDUSSCGKSA-N 2 2 312.417 3.425 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000343111334 274347570 /nfs/dbraw/zinc/34/75/70/274347570.db2.gz VQCMFPRPMFGFRI-LBTNJELSSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C[C@H](C)O1 ZINC000069833334 274356244 /nfs/dbraw/zinc/35/62/44/274356244.db2.gz NMOQZJCPOMYHKN-IYBDPMFKSA-N 2 2 314.429 3.179 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C[C@H](C)O1 ZINC000069833334 274356245 /nfs/dbraw/zinc/35/62/45/274356245.db2.gz NMOQZJCPOMYHKN-IYBDPMFKSA-N 2 2 314.429 3.179 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000414073608 275525342 /nfs/dbraw/zinc/52/53/42/275525342.db2.gz WBNSFQMUPBTCOA-HZPDHXFCSA-N 2 2 319.493 3.334 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000517638498 429392406 /nfs/dbraw/zinc/39/24/06/429392406.db2.gz YLTJDOAJHGWDDG-UHFFFAOYSA-N 2 2 307.401 3.433 20 0 DGADLP CC1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341867698 276113598 /nfs/dbraw/zinc/11/35/98/276113598.db2.gz CSWLZDXSYHOOBZ-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341867698 276113600 /nfs/dbraw/zinc/11/36/00/276113600.db2.gz CSWLZDXSYHOOBZ-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000060856831 276196870 /nfs/dbraw/zinc/19/68/70/276196870.db2.gz CUXUCYZGTJRACI-UHFFFAOYSA-N 2 2 318.461 3.060 20 0 DGADLP CCCC[C@H](COC)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480775913 276243202 /nfs/dbraw/zinc/24/32/02/276243202.db2.gz DGTNOQYQJNDTRY-MRXNPFEDSA-N 2 2 314.539 3.143 20 0 DGADLP CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435373429 276355483 /nfs/dbraw/zinc/35/54/83/276355483.db2.gz UTGFPHHLAVMKAQ-AWEZNQCLSA-N 2 2 320.868 3.191 20 0 DGADLP CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435373429 276355485 /nfs/dbraw/zinc/35/54/85/276355485.db2.gz UTGFPHHLAVMKAQ-AWEZNQCLSA-N 2 2 320.868 3.191 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423386464 276691662 /nfs/dbraw/zinc/69/16/62/276691662.db2.gz LFZVONVGCBHZDZ-GXTWGEPZSA-N 2 2 307.507 3.451 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[C@@H]2CCC=CO2)CC1 ZINC000290313721 277026879 /nfs/dbraw/zinc/02/68/79/277026879.db2.gz CIHAWXCULRICDT-IBGZPJMESA-N 2 2 300.446 3.276 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[C@@H]2CCC=CO2)CC1 ZINC000290313721 277026881 /nfs/dbraw/zinc/02/68/81/277026881.db2.gz CIHAWXCULRICDT-IBGZPJMESA-N 2 2 300.446 3.276 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450396752 277183339 /nfs/dbraw/zinc/18/33/39/277183339.db2.gz UKVYIGPQRGGBBQ-CJNGLKHVSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450396752 277183340 /nfs/dbraw/zinc/18/33/40/277183340.db2.gz UKVYIGPQRGGBBQ-CJNGLKHVSA-N 2 2 321.428 3.032 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000436308579 277358190 /nfs/dbraw/zinc/35/81/90/277358190.db2.gz MQGOOTUYQANQBR-WZGPROSRSA-N 2 2 308.510 3.433 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000436308579 277358192 /nfs/dbraw/zinc/35/81/92/277358192.db2.gz MQGOOTUYQANQBR-WZGPROSRSA-N 2 2 308.510 3.433 20 0 DGADLP CC(C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCC1 ZINC000125790369 277897963 /nfs/dbraw/zinc/89/79/63/277897963.db2.gz YDUXANOYMBCBNM-ZWKOTPCHSA-N 2 2 312.461 3.209 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423070779 278015065 /nfs/dbraw/zinc/01/50/65/278015065.db2.gz NRPDLMMHNQLTHV-CXAGYDPISA-N 2 2 318.848 3.397 20 0 DGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000474482146 278263383 /nfs/dbraw/zinc/26/33/83/278263383.db2.gz XNSGNBSZGNUIGH-YJBOKZPZSA-N 2 2 306.519 3.281 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280161186 278372100 /nfs/dbraw/zinc/37/21/00/278372100.db2.gz QQWJDEYQSUDWNG-RDTXWAMCSA-N 2 2 321.428 3.334 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000292778072 279072254 /nfs/dbraw/zinc/07/22/54/279072254.db2.gz KHIFUNZNSJABKD-MJGOQNOKSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000292778072 279072256 /nfs/dbraw/zinc/07/22/56/279072256.db2.gz KHIFUNZNSJABKD-MJGOQNOKSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000292778072 279072258 /nfs/dbraw/zinc/07/22/58/279072258.db2.gz KHIFUNZNSJABKD-MJGOQNOKSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000292778072 279072260 /nfs/dbraw/zinc/07/22/60/279072260.db2.gz KHIFUNZNSJABKD-MJGOQNOKSA-N 2 2 301.478 3.430 20 0 DGADLP CCn1cc[nH+]c1CN(CC[NH+](CC)CC)Cc1ccccc1 ZINC000174634068 279103225 /nfs/dbraw/zinc/10/32/25/279103225.db2.gz WDHDLJFMOQWAHR-UHFFFAOYSA-N 2 2 314.477 3.247 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000453134394 279121067 /nfs/dbraw/zinc/12/10/67/279121067.db2.gz RVNKYAXBSJQTAD-LTIDMASMSA-N 2 2 304.482 3.379 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420829 279134233 /nfs/dbraw/zinc/13/42/33/279134233.db2.gz GMYMTBATJVESIF-APWZRJJASA-N 3 2 307.526 3.103 20 0 DGADLP C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1c[nH+]ccc1N ZINC000423438209 279531975 /nfs/dbraw/zinc/53/19/75/279531975.db2.gz MTPVWBQEHQTPMO-ZBEGNZNMSA-N 2 2 312.417 3.029 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171724 431241236 /nfs/dbraw/zinc/24/12/36/431241236.db2.gz LYXQGQYNDMMSEJ-NEPJUHHUSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171724 431241239 /nfs/dbraw/zinc/24/12/39/431241239.db2.gz LYXQGQYNDMMSEJ-NEPJUHHUSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173787 431241966 /nfs/dbraw/zinc/24/19/66/431241966.db2.gz RIRUARFTRCKMFD-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000070173787 431241969 /nfs/dbraw/zinc/24/19/69/431241969.db2.gz RIRUARFTRCKMFD-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000071145647 431273228 /nfs/dbraw/zinc/27/32/28/431273228.db2.gz PJGKLNMPPQWJIW-AWEZNQCLSA-N 2 2 301.459 3.160 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000071145647 431273234 /nfs/dbraw/zinc/27/32/34/431273234.db2.gz PJGKLNMPPQWJIW-AWEZNQCLSA-N 2 2 301.459 3.160 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000113933989 431367039 /nfs/dbraw/zinc/36/70/39/431367039.db2.gz VANQFMGAURRYGK-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000113933989 431367050 /nfs/dbraw/zinc/36/70/50/431367050.db2.gz VANQFMGAURRYGK-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000113933989 431367055 /nfs/dbraw/zinc/36/70/55/431367055.db2.gz VANQFMGAURRYGK-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000113933989 431367062 /nfs/dbraw/zinc/36/70/62/431367062.db2.gz VANQFMGAURRYGK-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000113933989 431367065 /nfs/dbraw/zinc/36/70/65/431367065.db2.gz VANQFMGAURRYGK-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000113933989 431367073 /nfs/dbraw/zinc/36/70/73/431367073.db2.gz VANQFMGAURRYGK-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP C[N@H+](CCc1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480648 431391156 /nfs/dbraw/zinc/39/11/56/431391156.db2.gz BAYGSZJUVUHSPP-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[N@@H+](CCc1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480648 431391162 /nfs/dbraw/zinc/39/11/62/431391162.db2.gz BAYGSZJUVUHSPP-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521549 431456576 /nfs/dbraw/zinc/45/65/76/431456576.db2.gz FYSQEPKHHKHTRP-HZPDHXFCSA-N 2 2 320.481 3.149 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521549 431456579 /nfs/dbraw/zinc/45/65/79/431456579.db2.gz FYSQEPKHHKHTRP-HZPDHXFCSA-N 2 2 320.481 3.149 20 0 DGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000115610200 431464092 /nfs/dbraw/zinc/46/40/92/431464092.db2.gz BJIXSOLGTBAZEX-UHFFFAOYSA-N 2 2 303.312 3.211 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423049243 280198200 /nfs/dbraw/zinc/19/82/00/280198200.db2.gz JSHMVTFFSCYMDZ-IKGGRYGDSA-N 2 2 304.434 3.029 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000249041326 280234643 /nfs/dbraw/zinc/23/46/43/280234643.db2.gz VDKAGOQFLCCNFY-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000249041326 280234646 /nfs/dbraw/zinc/23/46/46/280234646.db2.gz VDKAGOQFLCCNFY-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423082166 280274456 /nfs/dbraw/zinc/27/44/56/280274456.db2.gz WGEINAACLYXERG-BPLDGKMQSA-N 2 2 302.418 3.159 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000077250089 431577404 /nfs/dbraw/zinc/57/74/04/431577404.db2.gz UMLOMYZNWHGHGT-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000077250089 431577409 /nfs/dbraw/zinc/57/74/09/431577409.db2.gz UMLOMYZNWHGHGT-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP C[C@H]1SCC[N@H+](CCC[NH+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000119008349 431634020 /nfs/dbraw/zinc/63/40/20/431634020.db2.gz FUGZOFBMJSXJPL-ZQDZILKHSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[N@@H+](CCC[NH+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000119008349 431634024 /nfs/dbraw/zinc/63/40/24/431634024.db2.gz FUGZOFBMJSXJPL-ZQDZILKHSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000119008349 431634027 /nfs/dbraw/zinc/63/40/27/431634027.db2.gz FUGZOFBMJSXJPL-ZQDZILKHSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@H+]2CCS[C@@H](C)[C@@H]2C)[C@H]1C ZINC000119008349 431634030 /nfs/dbraw/zinc/63/40/30/431634030.db2.gz FUGZOFBMJSXJPL-ZQDZILKHSA-N 2 2 302.553 3.028 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000119126288 431649916 /nfs/dbraw/zinc/64/99/16/431649916.db2.gz JGZOFXITVHXLAT-FHWLQOOXSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000119126288 431649925 /nfs/dbraw/zinc/64/99/25/431649925.db2.gz JGZOFXITVHXLAT-FHWLQOOXSA-N 2 2 302.462 3.056 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000119119331 431650400 /nfs/dbraw/zinc/65/04/00/431650400.db2.gz JVIXJIPGFRCCQD-QFBILLFUSA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000119119331 431650405 /nfs/dbraw/zinc/65/04/05/431650405.db2.gz JVIXJIPGFRCCQD-QFBILLFUSA-N 2 2 312.461 3.218 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)CCO1 ZINC000119344896 431679763 /nfs/dbraw/zinc/67/97/63/431679763.db2.gz YGNMTXVTJTWMIE-SFHVURJKSA-N 2 2 320.452 3.337 20 0 DGADLP CC(C)COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000078543354 431680064 /nfs/dbraw/zinc/68/00/64/431680064.db2.gz FKWXPNXDQNVUGT-MRXNPFEDSA-N 2 2 301.434 3.344 20 0 DGADLP Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121453949 431789144 /nfs/dbraw/zinc/78/91/44/431789144.db2.gz HKIDCMGLRKUTTK-CQSZACIVSA-N 2 2 309.417 3.187 20 0 DGADLP c1csc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000121499636 431794667 /nfs/dbraw/zinc/79/46/67/431794667.db2.gz OLCMZJGSWJVSHT-UHFFFAOYSA-N 2 2 324.453 3.256 20 0 DGADLP CCCOc1c(Cl)cc(C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000032070420 431772216 /nfs/dbraw/zinc/77/22/16/431772216.db2.gz OLPHMWKCWNLEPD-UHFFFAOYSA-N 2 2 312.841 3.061 20 0 DGADLP Brc1ccc(C2CC([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000036843404 431841679 /nfs/dbraw/zinc/84/16/79/431841679.db2.gz GCZGXODKTKRADF-UHFFFAOYSA-N 2 2 323.278 3.381 20 0 DGADLP CC[C@H]1C[N@H+](Cc2nc(-c3cccs3)oc2C)CC[C@@H]1[NH3+] ZINC000122742852 431843440 /nfs/dbraw/zinc/84/34/40/431843440.db2.gz QCEYVHQMAYZCCJ-STQMWFEESA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3cccs3)oc2C)CC[C@@H]1[NH3+] ZINC000122742852 431843442 /nfs/dbraw/zinc/84/34/42/431843442.db2.gz QCEYVHQMAYZCCJ-STQMWFEESA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@H+](Cc2sccc2Br)CC[C@@H]1[NH3+] ZINC000122781707 431844173 /nfs/dbraw/zinc/84/41/73/431844173.db2.gz BTTODYAERTXVPN-ONGXEEELSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2sccc2Br)CC[C@@H]1[NH3+] ZINC000122781707 431844174 /nfs/dbraw/zinc/84/41/74/431844174.db2.gz BTTODYAERTXVPN-ONGXEEELSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H](Cc1cccs1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037284783 431845515 /nfs/dbraw/zinc/84/55/15/431845515.db2.gz RUAPUWUVNRHEAK-AWEZNQCLSA-N 2 2 301.459 3.333 20 0 DGADLP CCC[N@H+](Cc1coc(-c2cccs2)n1)C1CC[NH2+]CC1 ZINC000037539084 431847995 /nfs/dbraw/zinc/84/79/95/431847995.db2.gz QGOIIMNWVYGHKD-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCC[N@@H+](Cc1coc(-c2cccs2)n1)C1CC[NH2+]CC1 ZINC000037539084 431847996 /nfs/dbraw/zinc/84/79/96/431847996.db2.gz QGOIIMNWVYGHKD-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP FC(F)SCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037648823 431849727 /nfs/dbraw/zinc/84/97/27/431849727.db2.gz BPUTVGSWIYWFBA-NSHDSACASA-N 2 2 316.417 3.309 20 0 DGADLP FC(F)SCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037648823 431849730 /nfs/dbraw/zinc/84/97/30/431849730.db2.gz BPUTVGSWIYWFBA-NSHDSACASA-N 2 2 316.417 3.309 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000037977214 431852659 /nfs/dbraw/zinc/85/26/59/431852659.db2.gz FGNHSGWOAZUPOT-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134154 431860231 /nfs/dbraw/zinc/86/02/31/431860231.db2.gz IIDXKGDBSGOKNI-AWEZNQCLSA-N 2 2 324.490 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134154 431860232 /nfs/dbraw/zinc/86/02/32/431860232.db2.gz IIDXKGDBSGOKNI-AWEZNQCLSA-N 2 2 324.490 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134154 431860234 /nfs/dbraw/zinc/86/02/34/431860234.db2.gz IIDXKGDBSGOKNI-AWEZNQCLSA-N 2 2 324.490 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134154 431860235 /nfs/dbraw/zinc/86/02/35/431860235.db2.gz IIDXKGDBSGOKNI-AWEZNQCLSA-N 2 2 324.490 3.007 20 0 DGADLP Cc1cccc(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123598387 431868772 /nfs/dbraw/zinc/86/87/72/431868772.db2.gz ZVNUJEGRNMVQBP-KRWDZBQOSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1cccc(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123598387 431868774 /nfs/dbraw/zinc/86/87/74/431868774.db2.gz ZVNUJEGRNMVQBP-KRWDZBQOSA-N 2 2 313.445 3.062 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000089554919 431870438 /nfs/dbraw/zinc/87/04/38/431870438.db2.gz DOLVYQGIRYEKTE-FQEVSTJZSA-N 2 2 310.441 3.468 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(Br)ccc2F)CC[C@@H]1[NH3+] ZINC000122243537 431822444 /nfs/dbraw/zinc/82/24/44/431822444.db2.gz VNSXSLJBXDTTAG-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1[NH3+] ZINC000122243537 431822447 /nfs/dbraw/zinc/82/24/47/431822447.db2.gz VNSXSLJBXDTTAG-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP C[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)C1CC[NH2+]CC1 ZINC000036301356 431836424 /nfs/dbraw/zinc/83/64/24/431836424.db2.gz NFMHPPLOWKLDEB-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)C1CC[NH2+]CC1 ZINC000036301356 431836426 /nfs/dbraw/zinc/83/64/26/431836426.db2.gz NFMHPPLOWKLDEB-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000125049368 431912770 /nfs/dbraw/zinc/91/27/70/431912770.db2.gz JVMHJVIWKJJNQP-UWVAXJGDSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000125049368 431912772 /nfs/dbraw/zinc/91/27/72/431912772.db2.gz JVMHJVIWKJJNQP-UWVAXJGDSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnn(C)c1 ZINC000125120293 431914948 /nfs/dbraw/zinc/91/49/48/431914948.db2.gz QQXVREGTNYXQRX-HOTGVXAUSA-N 2 2 312.461 3.296 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccs2)CC1 ZINC000125224429 431917873 /nfs/dbraw/zinc/91/78/73/431917873.db2.gz KWCMJXGTADMRBF-UHFFFAOYSA-N 2 2 304.463 3.054 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccs2)CC1 ZINC000125224429 431917876 /nfs/dbraw/zinc/91/78/76/431917876.db2.gz KWCMJXGTADMRBF-UHFFFAOYSA-N 2 2 304.463 3.054 20 0 DGADLP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000089693633 431874697 /nfs/dbraw/zinc/87/46/97/431874697.db2.gz KVKYCYBQKSZXNE-CYBMUJFWSA-N 2 2 315.230 3.117 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000044537017 431875085 /nfs/dbraw/zinc/87/50/85/431875085.db2.gz LMWMXWBOLJNSTF-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000044537017 431875086 /nfs/dbraw/zinc/87/50/86/431875086.db2.gz LMWMXWBOLJNSTF-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684123 431876755 /nfs/dbraw/zinc/87/67/55/431876755.db2.gz OHYQPXDALXATNY-BXUZGUMPSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684123 431876756 /nfs/dbraw/zinc/87/67/56/431876756.db2.gz OHYQPXDALXATNY-BXUZGUMPSA-N 2 2 309.251 3.336 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000090004214 431888246 /nfs/dbraw/zinc/88/82/46/431888246.db2.gz KBJKCBQQBPYXQF-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000090004214 431888248 /nfs/dbraw/zinc/88/82/48/431888248.db2.gz KBJKCBQQBPYXQF-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000090004025 431888618 /nfs/dbraw/zinc/88/86/18/431888618.db2.gz FGISDLMQCLIYBU-OAHLLOKOSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000090004025 431888620 /nfs/dbraw/zinc/88/86/20/431888620.db2.gz FGISDLMQCLIYBU-OAHLLOKOSA-N 2 2 319.399 3.196 20 0 DGADLP CC(C)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090230707 431890106 /nfs/dbraw/zinc/89/01/06/431890106.db2.gz YGKWIGBQVCVRKY-WMZOPIPTSA-N 2 2 301.478 3.318 20 0 DGADLP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090230707 431890109 /nfs/dbraw/zinc/89/01/09/431890109.db2.gz YGKWIGBQVCVRKY-WMZOPIPTSA-N 2 2 301.478 3.318 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090117708 431890333 /nfs/dbraw/zinc/89/03/33/431890333.db2.gz GKWDSEDGGUHDEY-HRCADAONSA-N 2 2 312.461 3.334 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090117708 431890335 /nfs/dbraw/zinc/89/03/35/431890335.db2.gz GKWDSEDGGUHDEY-HRCADAONSA-N 2 2 312.461 3.334 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1C ZINC000090721481 431894650 /nfs/dbraw/zinc/89/46/50/431894650.db2.gz UUPUBSVNZXDXGA-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@H+]1C ZINC000090721481 431894653 /nfs/dbraw/zinc/89/46/53/431894653.db2.gz UUPUBSVNZXDXGA-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560391 431898285 /nfs/dbraw/zinc/89/82/85/431898285.db2.gz SFRBHWJGCRJWGQ-CMPLNLGQSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560391 431898286 /nfs/dbraw/zinc/89/82/86/431898286.db2.gz SFRBHWJGCRJWGQ-CMPLNLGQSA-N 2 2 303.233 3.184 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143771 431979555 /nfs/dbraw/zinc/97/95/55/431979555.db2.gz WTULDUPXTXOACK-YLJYHZDGSA-N 2 2 324.468 3.065 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143771 431979556 /nfs/dbraw/zinc/97/95/56/431979556.db2.gz WTULDUPXTXOACK-YLJYHZDGSA-N 2 2 324.468 3.065 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000125562357 431930475 /nfs/dbraw/zinc/93/04/75/431930475.db2.gz NVWYAYODUIRTOE-LBPRGKRZSA-N 2 2 318.795 3.325 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000125562357 431930477 /nfs/dbraw/zinc/93/04/77/431930477.db2.gz NVWYAYODUIRTOE-LBPRGKRZSA-N 2 2 318.795 3.325 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1Br ZINC000049557708 431942097 /nfs/dbraw/zinc/94/20/97/431942097.db2.gz MBPSYZQCXWGUJV-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126297342 431947319 /nfs/dbraw/zinc/94/73/19/431947319.db2.gz BGKOYZBBHZYIKS-UHFFFAOYSA-N 2 2 320.864 3.241 20 0 DGADLP CCCC[N@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051092510 431950306 /nfs/dbraw/zinc/95/03/06/431950306.db2.gz XZFOIFKIYIVXDV-MRXNPFEDSA-N 2 2 303.450 3.136 20 0 DGADLP CCCC[N@@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051092510 431950307 /nfs/dbraw/zinc/95/03/07/431950307.db2.gz XZFOIFKIYIVXDV-MRXNPFEDSA-N 2 2 303.450 3.136 20 0 DGADLP FC(F)Oc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051554525 431951924 /nfs/dbraw/zinc/95/19/24/431951924.db2.gz QHEGINNSFQVQMU-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000126890974 431960334 /nfs/dbraw/zinc/96/03/34/431960334.db2.gz AJVSBKJXHAPAER-ROUUACIJSA-N 2 2 312.461 3.353 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000126890974 431960336 /nfs/dbraw/zinc/96/03/36/431960336.db2.gz AJVSBKJXHAPAER-ROUUACIJSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126914052 431960735 /nfs/dbraw/zinc/96/07/35/431960735.db2.gz XWDUKTYIUTUNNZ-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126914052 431960736 /nfs/dbraw/zinc/96/07/36/431960736.db2.gz XWDUKTYIUTUNNZ-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000097444946 431969419 /nfs/dbraw/zinc/96/94/19/431969419.db2.gz BUEVOQHMWYIHBZ-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000097444946 431969421 /nfs/dbraw/zinc/96/94/21/431969421.db2.gz BUEVOQHMWYIHBZ-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422780 431993416 /nfs/dbraw/zinc/99/34/16/431993416.db2.gz QFMXQBJRJISOJQ-MBNYWOFBSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422780 431993419 /nfs/dbraw/zinc/99/34/19/431993419.db2.gz QFMXQBJRJISOJQ-MBNYWOFBSA-N 2 2 305.447 3.221 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000414344081 281385931 /nfs/dbraw/zinc/38/59/31/281385931.db2.gz CBQQYBPIVOHRRP-QGZVFWFLSA-N 2 2 300.450 3.281 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248147801 432272081 /nfs/dbraw/zinc/27/20/81/432272081.db2.gz QKDYRTIACQYBLI-WDSOQIARSA-N 2 2 304.478 3.038 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248147801 432272086 /nfs/dbraw/zinc/27/20/86/432272086.db2.gz QKDYRTIACQYBLI-WDSOQIARSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151778028 432275191 /nfs/dbraw/zinc/27/51/91/432275191.db2.gz DQYVKGVOFGIFGT-FXAWDEMLSA-N 2 2 316.489 3.130 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151778028 432275194 /nfs/dbraw/zinc/27/51/94/432275194.db2.gz DQYVKGVOFGIFGT-FXAWDEMLSA-N 2 2 316.489 3.130 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCO[C@@H]21 ZINC000151779574 432275687 /nfs/dbraw/zinc/27/56/87/432275687.db2.gz DSLRCIVILIVKTF-MKXGPGLRSA-N 2 2 314.473 3.054 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCO[C@@H]21 ZINC000151779574 432275693 /nfs/dbraw/zinc/27/56/93/432275693.db2.gz DSLRCIVILIVKTF-MKXGPGLRSA-N 2 2 314.473 3.054 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545721 432302518 /nfs/dbraw/zinc/30/25/18/432302518.db2.gz KQDKEJJDPGOEAL-HUUCEWRRSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000183545721 432302521 /nfs/dbraw/zinc/30/25/21/432302521.db2.gz KQDKEJJDPGOEAL-HUUCEWRRSA-N 2 2 316.449 3.165 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000128475461 431995134 /nfs/dbraw/zinc/99/51/34/431995134.db2.gz YPHWRPGFFKTUJB-AWEZNQCLSA-N 2 2 304.463 3.010 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000128475461 431995136 /nfs/dbraw/zinc/99/51/36/431995136.db2.gz YPHWRPGFFKTUJB-AWEZNQCLSA-N 2 2 304.463 3.010 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000248075375 432266842 /nfs/dbraw/zinc/26/68/42/432266842.db2.gz MXBAVBGALUZSQB-BRSBDYLESA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000248075375 432266845 /nfs/dbraw/zinc/26/68/45/432266845.db2.gz MXBAVBGALUZSQB-BRSBDYLESA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248075375 432266849 /nfs/dbraw/zinc/26/68/49/432266849.db2.gz MXBAVBGALUZSQB-BRSBDYLESA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000248075375 432266852 /nfs/dbraw/zinc/26/68/52/432266852.db2.gz MXBAVBGALUZSQB-BRSBDYLESA-N 3 2 309.542 3.205 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(CC)n1 ZINC000191472135 432266937 /nfs/dbraw/zinc/26/69/37/432266937.db2.gz CVCVBYKSYYIQCA-UHFFFAOYSA-N 2 2 306.479 3.377 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(CC)n1 ZINC000191472135 432266940 /nfs/dbraw/zinc/26/69/40/432266940.db2.gz CVCVBYKSYYIQCA-UHFFFAOYSA-N 2 2 306.479 3.377 20 0 DGADLP c1cn(CCC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c[nH+]1 ZINC000183182461 432267037 /nfs/dbraw/zinc/26/70/37/432267037.db2.gz FSECRGBZMLTMMH-MRXNPFEDSA-N 2 2 301.459 3.387 20 0 DGADLP c1cn(CCC[N@H+]2CC[C@@H](CSc3ccccc3)C2)c[nH+]1 ZINC000183182461 432267043 /nfs/dbraw/zinc/26/70/43/432267043.db2.gz FSECRGBZMLTMMH-MRXNPFEDSA-N 2 2 301.459 3.387 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000271052222 432322018 /nfs/dbraw/zinc/32/20/18/432322018.db2.gz WNMPFOCBHCRKFB-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP CCC(CC)n1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000271056122 432322623 /nfs/dbraw/zinc/32/26/23/432322623.db2.gz ZKWDTADFBJIMIX-UHFFFAOYSA-N 2 2 303.454 3.271 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248826678 432322941 /nfs/dbraw/zinc/32/29/41/432322941.db2.gz HEHIZTUFMYRBQY-CVEARBPZSA-N 2 2 310.482 3.057 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248826678 432322945 /nfs/dbraw/zinc/32/29/45/432322945.db2.gz HEHIZTUFMYRBQY-CVEARBPZSA-N 2 2 310.482 3.057 20 0 DGADLP CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034150 432325753 /nfs/dbraw/zinc/32/57/53/432325753.db2.gz PUIJNFLCCJIZFZ-MOPGFXCFSA-N 2 2 313.445 3.306 20 0 DGADLP CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034150 432325759 /nfs/dbraw/zinc/32/57/59/432325759.db2.gz PUIJNFLCCJIZFZ-MOPGFXCFSA-N 2 2 313.445 3.306 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000249041322 432334236 /nfs/dbraw/zinc/33/42/36/432334236.db2.gz VDKAGOQFLCCNFY-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000249041322 432334240 /nfs/dbraw/zinc/33/42/40/432334240.db2.gz VDKAGOQFLCCNFY-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000183944925 432337057 /nfs/dbraw/zinc/33/70/57/432337057.db2.gz DVNDWYYEUOVDTQ-MRXNPFEDSA-N 2 2 324.415 3.168 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000183944925 432337059 /nfs/dbraw/zinc/33/70/59/432337059.db2.gz DVNDWYYEUOVDTQ-MRXNPFEDSA-N 2 2 324.415 3.168 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000174402522 432343867 /nfs/dbraw/zinc/34/38/67/432343867.db2.gz YPYGRWGKJIGUHU-OAHLLOKOSA-N 2 2 314.429 3.087 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175215 432344021 /nfs/dbraw/zinc/34/40/21/432344021.db2.gz UXTQTKVHDBEINT-WBVHZDCISA-N 2 2 315.486 3.358 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cscn1 ZINC000271175215 432344024 /nfs/dbraw/zinc/34/40/24/432344024.db2.gz UXTQTKVHDBEINT-WBVHZDCISA-N 2 2 315.486 3.358 20 0 DGADLP CC[N@H+](CCOCC1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393510 432344456 /nfs/dbraw/zinc/34/44/56/432344456.db2.gz MZXHNEVYHALLCJ-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+](CCOCC1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393510 432344463 /nfs/dbraw/zinc/34/44/63/432344463.db2.gz MZXHNEVYHALLCJ-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccn(C)c1 ZINC000271182106 432346711 /nfs/dbraw/zinc/34/67/11/432346711.db2.gz KHLGWGRJKGNTJO-KRWDZBQOSA-N 2 2 308.429 3.348 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccn(C)c1 ZINC000271182106 432346713 /nfs/dbraw/zinc/34/67/13/432346713.db2.gz KHLGWGRJKGNTJO-KRWDZBQOSA-N 2 2 308.429 3.348 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000192236127 432348393 /nfs/dbraw/zinc/34/83/93/432348393.db2.gz SEQXQIKSWFVBDT-UHFFFAOYSA-N 2 2 313.449 3.338 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249433002 432349285 /nfs/dbraw/zinc/34/92/85/432349285.db2.gz KGFGUYXBQZFCBD-FDQGKXFDSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249433002 432349286 /nfs/dbraw/zinc/34/92/86/432349286.db2.gz KGFGUYXBQZFCBD-FDQGKXFDSA-N 2 2 315.461 3.134 20 0 DGADLP Brc1ccc2c(c1)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000192257253 432352347 /nfs/dbraw/zinc/35/23/47/432352347.db2.gz XEKAENYALIDXSX-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP Brc1ccc2c(c1)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000192257253 432352351 /nfs/dbraw/zinc/35/23/51/432352351.db2.gz XEKAENYALIDXSX-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834886 432305734 /nfs/dbraw/zinc/30/57/34/432305734.db2.gz VMGQOOSVPNXYKH-IEBWSBKVSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834886 432305736 /nfs/dbraw/zinc/30/57/36/432305736.db2.gz VMGQOOSVPNXYKH-IEBWSBKVSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248615514 432306009 /nfs/dbraw/zinc/30/60/09/432306009.db2.gz KCIKREGONTWJQX-IRXDYDNUSA-N 2 2 302.466 3.126 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248615514 432306012 /nfs/dbraw/zinc/30/60/12/432306012.db2.gz KCIKREGONTWJQX-IRXDYDNUSA-N 2 2 302.466 3.126 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248689737 432311307 /nfs/dbraw/zinc/31/13/07/432311307.db2.gz AKXPUGLUVRJGAJ-WQANXHIZSA-N 2 2 323.440 3.481 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000174809869 432372738 /nfs/dbraw/zinc/37/27/38/432372738.db2.gz QRJUJQMWPHBJEQ-SFHVURJKSA-N 2 2 309.413 3.383 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000174809869 432372744 /nfs/dbraw/zinc/37/27/44/432372744.db2.gz QRJUJQMWPHBJEQ-SFHVURJKSA-N 2 2 309.413 3.383 20 0 DGADLP Cc1cncc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000184274670 432374634 /nfs/dbraw/zinc/37/46/34/432374634.db2.gz PETXKOIBUAIYFO-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000184284317 432375024 /nfs/dbraw/zinc/37/50/24/432375024.db2.gz JBQXEMKFFAXOJD-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000253193524 432389879 /nfs/dbraw/zinc/38/98/79/432389879.db2.gz OVGOJUHQTQSXTD-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C[C@H]1C[NH3+] ZINC000253193524 432389881 /nfs/dbraw/zinc/38/98/81/432389881.db2.gz OVGOJUHQTQSXTD-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccs1 ZINC000153259174 432396452 /nfs/dbraw/zinc/39/64/52/432396452.db2.gz DJAOJVUUSJZBOV-HOTGVXAUSA-N 2 2 310.507 3.393 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192687593 432399575 /nfs/dbraw/zinc/39/95/75/432399575.db2.gz MKGQISPTQZMRBT-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cn2)[C@@H](C)C1 ZINC000271479806 432404129 /nfs/dbraw/zinc/40/41/29/432404129.db2.gz DERQHSHYAYIXDW-UXLLHSPISA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cn2)[C@@H](C)C1 ZINC000271479806 432404132 /nfs/dbraw/zinc/40/41/32/432404132.db2.gz DERQHSHYAYIXDW-UXLLHSPISA-N 2 2 323.456 3.008 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000271301885 432371362 /nfs/dbraw/zinc/37/13/62/432371362.db2.gz OXECZCSZEKRPQO-QAPCUYQASA-N 2 2 313.449 3.278 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000271301885 432371364 /nfs/dbraw/zinc/37/13/64/432371364.db2.gz OXECZCSZEKRPQO-QAPCUYQASA-N 2 2 313.449 3.278 20 0 DGADLP Cc1oc2ccccc2c1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184765785 432430410 /nfs/dbraw/zinc/43/04/10/432430410.db2.gz JZZFONGWLNZUOG-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000261545605 432431451 /nfs/dbraw/zinc/43/14/51/432431451.db2.gz GCEZEHDBOAYIAZ-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000261545605 432431453 /nfs/dbraw/zinc/43/14/53/432431453.db2.gz GCEZEHDBOAYIAZ-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000261545606 432431690 /nfs/dbraw/zinc/43/16/90/432431690.db2.gz GCEZEHDBOAYIAZ-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000261545606 432431696 /nfs/dbraw/zinc/43/16/96/432431696.db2.gz GCEZEHDBOAYIAZ-ZDUSSCGKSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261579306 432433357 /nfs/dbraw/zinc/43/33/57/432433357.db2.gz PKWBQBPGHMDLQG-UPJWGTAASA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261579306 432433359 /nfs/dbraw/zinc/43/33/59/432433359.db2.gz PKWBQBPGHMDLQG-UPJWGTAASA-N 2 2 309.251 3.051 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000192964597 432433376 /nfs/dbraw/zinc/43/33/76/432433376.db2.gz MZUDAHVFEITMJE-OALUTQOASA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000261636548 432437990 /nfs/dbraw/zinc/43/79/90/432437990.db2.gz DDZQXGNRUQKKLI-SFHVURJKSA-N 2 2 315.486 3.099 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000261636548 432437994 /nfs/dbraw/zinc/43/79/94/432437994.db2.gz DDZQXGNRUQKKLI-SFHVURJKSA-N 2 2 315.486 3.099 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc2cccnc12 ZINC000261674316 432440252 /nfs/dbraw/zinc/44/02/52/432440252.db2.gz JKQACRVZWFGIHM-VQTJNVASSA-N 2 2 317.436 3.470 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc2cccnc12 ZINC000261674316 432440255 /nfs/dbraw/zinc/44/02/55/432440255.db2.gz JKQACRVZWFGIHM-VQTJNVASSA-N 2 2 317.436 3.470 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000153785137 432442840 /nfs/dbraw/zinc/44/28/40/432442840.db2.gz IUQJZVUZITXPRH-GOSISDBHSA-N 2 2 322.880 3.106 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000153785137 432442843 /nfs/dbraw/zinc/44/28/43/432442843.db2.gz IUQJZVUZITXPRH-GOSISDBHSA-N 2 2 322.880 3.106 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cs1 ZINC000261783190 432450234 /nfs/dbraw/zinc/45/02/34/432450234.db2.gz PTOMDHULMILBRH-OAHLLOKOSA-N 2 2 305.472 3.057 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cs1 ZINC000261783190 432450239 /nfs/dbraw/zinc/45/02/39/432450239.db2.gz PTOMDHULMILBRH-OAHLLOKOSA-N 2 2 305.472 3.057 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000261789885 432450517 /nfs/dbraw/zinc/45/05/17/432450517.db2.gz UXBXRVJOZRXTGZ-CQSZACIVSA-N 2 2 303.233 3.173 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000261789885 432450523 /nfs/dbraw/zinc/45/05/23/432450523.db2.gz UXBXRVJOZRXTGZ-CQSZACIVSA-N 2 2 303.233 3.173 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000261785606 432450668 /nfs/dbraw/zinc/45/06/68/432450668.db2.gz UIQQAYYGQNPOPJ-MRXNPFEDSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000261785606 432450674 /nfs/dbraw/zinc/45/06/74/432450674.db2.gz UIQQAYYGQNPOPJ-MRXNPFEDSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261796798 432450723 /nfs/dbraw/zinc/45/07/23/432450723.db2.gz NXLLZJJGUALRLA-BZNIZROVSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261796798 432450728 /nfs/dbraw/zinc/45/07/28/432450728.db2.gz NXLLZJJGUALRLA-BZNIZROVSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153884786 432452664 /nfs/dbraw/zinc/45/26/64/432452664.db2.gz UYXCSDLFSZGBDD-RKVPGOIHSA-N 2 2 317.477 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153884786 432452669 /nfs/dbraw/zinc/45/26/69/432452669.db2.gz UYXCSDLFSZGBDD-RKVPGOIHSA-N 2 2 317.477 3.221 20 0 DGADLP [NH3+]C1(c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCCC1 ZINC000261859046 432455625 /nfs/dbraw/zinc/45/56/25/432455625.db2.gz UELIUQFHLXLLFF-OAHLLOKOSA-N 2 2 312.417 3.135 20 0 DGADLP [NH3+]C1(c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)CCCC1 ZINC000261859046 432455630 /nfs/dbraw/zinc/45/56/30/432455630.db2.gz UELIUQFHLXLLFF-OAHLLOKOSA-N 2 2 312.417 3.135 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000272171579 432456687 /nfs/dbraw/zinc/45/66/87/432456687.db2.gz DJQLXXSOVKVWHY-CRAIPNDOSA-N 2 2 310.445 3.395 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271530754 432416523 /nfs/dbraw/zinc/41/65/23/432416523.db2.gz RAXMAHDBVDXMGI-DYVFJYSZSA-N 2 2 307.401 3.324 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272259818 432472497 /nfs/dbraw/zinc/47/24/97/432472497.db2.gz ZWKMNPRFGAFIEN-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272259818 432472499 /nfs/dbraw/zinc/47/24/99/432472499.db2.gz ZWKMNPRFGAFIEN-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@@H]1[NH3+] ZINC000262089326 432473459 /nfs/dbraw/zinc/47/34/59/432473459.db2.gz URDFTCYGAUYNOB-LIRRHRJNSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@@H]1[NH3+] ZINC000262089326 432473465 /nfs/dbraw/zinc/47/34/65/432473465.db2.gz URDFTCYGAUYNOB-LIRRHRJNSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@H]1[NH3+] ZINC000262089316 432473512 /nfs/dbraw/zinc/47/35/12/432473512.db2.gz URDFTCYGAUYNOB-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@H]1[NH3+] ZINC000262089316 432473517 /nfs/dbraw/zinc/47/35/17/432473517.db2.gz URDFTCYGAUYNOB-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP CC(C)C[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272266126 432473816 /nfs/dbraw/zinc/47/38/16/432473816.db2.gz MLFQDKUUHANAHD-HNNXBMFYSA-N 2 2 304.482 3.459 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000262127068 432475179 /nfs/dbraw/zinc/47/51/79/432475179.db2.gz XVOHSVQTUBZLLY-QGZVFWFLSA-N 2 2 310.388 3.090 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000262127068 432475181 /nfs/dbraw/zinc/47/51/81/432475181.db2.gz XVOHSVQTUBZLLY-QGZVFWFLSA-N 2 2 310.388 3.090 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCC1 ZINC000272310399 432480294 /nfs/dbraw/zinc/48/02/94/432480294.db2.gz SYKIBEGCQAJPQM-CQSZACIVSA-N 2 2 302.466 3.213 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000185230121 432480769 /nfs/dbraw/zinc/48/07/69/432480769.db2.gz ONTKNABIQNHHGR-UHFFFAOYSA-N 2 2 314.433 3.010 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000154223354 432482777 /nfs/dbraw/zinc/48/27/77/432482777.db2.gz BLAFPFPTKGCKJD-LPHOPBHVSA-N 2 2 320.477 3.237 20 0 DGADLP CC[N@H+](CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)C1CC1 ZINC000185283689 432485686 /nfs/dbraw/zinc/48/56/86/432485686.db2.gz VHHLGDWOPKWSCJ-CQSZACIVSA-N 2 2 308.441 3.087 20 0 DGADLP CC[N@@H+](CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)C1CC1 ZINC000185283689 432485690 /nfs/dbraw/zinc/48/56/90/432485690.db2.gz VHHLGDWOPKWSCJ-CQSZACIVSA-N 2 2 308.441 3.087 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000193946054 432512589 /nfs/dbraw/zinc/51/25/89/432512589.db2.gz HNHITMCAKAJFAE-YDZRNGNQSA-N 2 2 314.473 3.227 20 0 DGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000262599561 432492929 /nfs/dbraw/zinc/49/29/29/432492929.db2.gz YBMMLIRXYAKIAO-SFHVURJKSA-N 2 2 316.449 3.327 20 0 DGADLP O=C(C[NH2+]C1CC1)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000154644612 432512970 /nfs/dbraw/zinc/51/29/70/432512970.db2.gz UYXKGWMXSUTHEK-UHFFFAOYSA-N 2 2 317.776 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000185449505 432500436 /nfs/dbraw/zinc/50/04/36/432500436.db2.gz ADBBEBRUGYSTKV-UHFFFAOYSA-N 2 2 313.376 3.369 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261939150 432461441 /nfs/dbraw/zinc/46/14/41/432461441.db2.gz MKVQWJPPQWQCQJ-CHWSQXEVSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261939150 432461446 /nfs/dbraw/zinc/46/14/46/432461446.db2.gz MKVQWJPPQWQCQJ-CHWSQXEVSA-N 2 2 323.278 3.195 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261948465 432463056 /nfs/dbraw/zinc/46/30/56/432463056.db2.gz FRICGQHJVCWTEN-SFHVURJKSA-N 2 2 320.864 3.314 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261948465 432463061 /nfs/dbraw/zinc/46/30/61/432463061.db2.gz FRICGQHJVCWTEN-SFHVURJKSA-N 2 2 320.864 3.314 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@@H]12 ZINC000261949731 432463119 /nfs/dbraw/zinc/46/31/19/432463119.db2.gz NTHISFWLPUBUFY-MKPLZMMCSA-N 2 2 303.208 3.302 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@@H]12 ZINC000261949731 432463124 /nfs/dbraw/zinc/46/31/24/432463124.db2.gz NTHISFWLPUBUFY-MKPLZMMCSA-N 2 2 303.208 3.302 20 0 DGADLP C[N@H+](Cc1cc(Br)c(Cl)s1)C1CC[NH2+]CC1 ZINC000261977993 432465092 /nfs/dbraw/zinc/46/50/92/432465092.db2.gz QZAGXQAKDBUGKD-UHFFFAOYSA-N 2 2 323.687 3.348 20 0 DGADLP C[N@@H+](Cc1cc(Br)c(Cl)s1)C1CC[NH2+]CC1 ZINC000261977993 432465097 /nfs/dbraw/zinc/46/50/97/432465097.db2.gz QZAGXQAKDBUGKD-UHFFFAOYSA-N 2 2 323.687 3.348 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)ccc2n1C ZINC000154068761 432469857 /nfs/dbraw/zinc/46/98/57/432469857.db2.gz BWBQPRXHEQPGBX-FRRDWIJNSA-N 2 2 314.433 3.082 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)ccc2n1C ZINC000154068761 432469861 /nfs/dbraw/zinc/46/98/61/432469861.db2.gz BWBQPRXHEQPGBX-FRRDWIJNSA-N 2 2 314.433 3.082 20 0 DGADLP C[C@H]([NH2+]Cc1nccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272251801 432469979 /nfs/dbraw/zinc/46/99/79/432469979.db2.gz YNTBUABLEMJAOD-HOCLYGCPSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@H]([NH2+]Cc1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272251801 432469983 /nfs/dbraw/zinc/46/99/83/432469983.db2.gz YNTBUABLEMJAOD-HOCLYGCPSA-N 2 2 301.459 3.143 20 0 DGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000176756656 432549825 /nfs/dbraw/zinc/54/98/25/432549825.db2.gz SPWJELFEBQQQMY-OAHLLOKOSA-N 3 2 323.444 3.112 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)cn1 ZINC000263671143 432565172 /nfs/dbraw/zinc/56/51/72/432565172.db2.gz GHWLEFSWFHBIKA-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)c[nH+]1 ZINC000263671143 432565173 /nfs/dbraw/zinc/56/51/73/432565173.db2.gz GHWLEFSWFHBIKA-UHFFFAOYSA-N 3 2 324.472 3.323 20 0 DGADLP Cc1nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c(C)[nH+]1 ZINC000301687287 281865491 /nfs/dbraw/zinc/86/54/91/281865491.db2.gz MFIIAJUSLZBLOM-GOSISDBHSA-N 2 2 316.493 3.350 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)C[NH+]1CCOCC1 ZINC000177357681 432614922 /nfs/dbraw/zinc/61/49/22/432614922.db2.gz CJCYSBDCGCRECQ-IRXDYDNUSA-N 2 2 312.457 3.459 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000177351867 432616221 /nfs/dbraw/zinc/61/62/21/432616221.db2.gz CEULWYPFDXWOKZ-HUUCEWRRSA-N 2 2 322.880 3.492 20 0 DGADLP c1csc([C@@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCC2)c1 ZINC000263784539 432575654 /nfs/dbraw/zinc/57/56/54/432575654.db2.gz MHVBGGRBMFTYPS-CYBMUJFWSA-N 2 2 313.430 3.268 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324022 432583697 /nfs/dbraw/zinc/58/36/97/432583697.db2.gz GUHBLMHUCIOYJE-RKVPGOIHSA-N 2 2 320.477 3.388 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156435166 432596873 /nfs/dbraw/zinc/59/68/73/432596873.db2.gz FPCAQVJUXSEJKR-MLHJIOFPSA-N 2 2 305.466 3.361 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156435166 432596877 /nfs/dbraw/zinc/59/68/77/432596877.db2.gz FPCAQVJUXSEJKR-MLHJIOFPSA-N 2 2 305.466 3.361 20 0 DGADLP C[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156416796 432597146 /nfs/dbraw/zinc/59/71/46/432597146.db2.gz HPIWEYDRDLQRBJ-QAPCUYQASA-N 2 2 317.408 3.374 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156416796 432597150 /nfs/dbraw/zinc/59/71/50/432597150.db2.gz HPIWEYDRDLQRBJ-QAPCUYQASA-N 2 2 317.408 3.374 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156573536 432600904 /nfs/dbraw/zinc/60/09/04/432600904.db2.gz LACWOOFIXPWBBF-HNAYVOBHSA-N 3 2 312.461 3.316 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156573536 432600909 /nfs/dbraw/zinc/60/09/09/432600909.db2.gz LACWOOFIXPWBBF-HNAYVOBHSA-N 3 2 312.461 3.316 20 0 DGADLP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156573536 432600911 /nfs/dbraw/zinc/60/09/11/432600911.db2.gz LACWOOFIXPWBBF-HNAYVOBHSA-N 2 2 312.461 3.316 20 0 DGADLP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000186502486 432602493 /nfs/dbraw/zinc/60/24/93/432602493.db2.gz RNTROMMIYOKANK-DCKQQPRJSA-N 2 2 322.880 3.221 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1F ZINC000187344810 432658937 /nfs/dbraw/zinc/65/89/37/432658937.db2.gz DRDMLVWBZXRRRY-UONOGXRCSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1F ZINC000187344810 432658942 /nfs/dbraw/zinc/65/89/42/432658942.db2.gz DRDMLVWBZXRRRY-UONOGXRCSA-N 2 2 308.441 3.085 20 0 DGADLP CCc1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)o1 ZINC000158901725 432663295 /nfs/dbraw/zinc/66/32/95/432663295.db2.gz MRELDOWDFMQBSC-OAHLLOKOSA-N 2 2 320.481 3.109 20 0 DGADLP CCc1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000158901725 432663296 /nfs/dbraw/zinc/66/32/96/432663296.db2.gz MRELDOWDFMQBSC-OAHLLOKOSA-N 2 2 320.481 3.109 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000178102107 432694930 /nfs/dbraw/zinc/69/49/30/432694930.db2.gz MWHYLSRLYDSDEV-RHSMWYFYSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102107 432694935 /nfs/dbraw/zinc/69/49/35/432694935.db2.gz MWHYLSRLYDSDEV-RHSMWYFYSA-N 2 2 318.461 3.214 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112010 432695996 /nfs/dbraw/zinc/69/59/96/432695996.db2.gz ZGIQCOKLGJOKBP-ZFWWWQNUSA-N 2 2 301.459 3.212 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112010 432696002 /nfs/dbraw/zinc/69/60/02/432696002.db2.gz ZGIQCOKLGJOKBP-ZFWWWQNUSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112010 432696005 /nfs/dbraw/zinc/69/60/05/432696005.db2.gz ZGIQCOKLGJOKBP-ZFWWWQNUSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112010 432696007 /nfs/dbraw/zinc/69/60/07/432696007.db2.gz ZGIQCOKLGJOKBP-ZFWWWQNUSA-N 2 2 301.459 3.212 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000188101094 432703289 /nfs/dbraw/zinc/70/32/89/432703289.db2.gz PGNPZXBVYNTWLT-HZPDHXFCSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188101094 432703292 /nfs/dbraw/zinc/70/32/92/432703292.db2.gz PGNPZXBVYNTWLT-HZPDHXFCSA-N 2 2 312.461 3.346 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000188099744 432703328 /nfs/dbraw/zinc/70/33/28/432703328.db2.gz XGOZQUWJLPCQPK-ZDUSSCGKSA-N 2 2 311.267 3.066 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788758 432708649 /nfs/dbraw/zinc/70/86/49/432708649.db2.gz NHRWXBDVELDLNG-ABAIWWIYSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788758 432708652 /nfs/dbraw/zinc/70/86/52/432708652.db2.gz NHRWXBDVELDLNG-ABAIWWIYSA-N 2 2 323.799 3.115 20 0 DGADLP Clc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265555244 432709466 /nfs/dbraw/zinc/70/94/66/432709466.db2.gz ZMLJJTAGAHKCGE-UHFFFAOYSA-N 2 2 305.809 3.322 20 0 DGADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274817052 432711289 /nfs/dbraw/zinc/71/12/89/432711289.db2.gz WWEUCAMZZRNNSE-ROUUACIJSA-N 2 2 317.477 3.234 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328488 432722665 /nfs/dbraw/zinc/72/26/65/432722665.db2.gz XQAZXBZLLTUABX-HKUYNNGSSA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccn1 ZINC000178328488 432722668 /nfs/dbraw/zinc/72/26/68/432722668.db2.gz XQAZXBZLLTUABX-HKUYNNGSSA-N 2 2 319.493 3.115 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H](CC)[NH+](C)C)cc2[nH+]1 ZINC000177971405 432680740 /nfs/dbraw/zinc/68/07/40/432680740.db2.gz RCXMXASXSGCBGD-HNNXBMFYSA-N 2 2 302.422 3.184 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979420 432682163 /nfs/dbraw/zinc/68/21/63/432682163.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH+](C3CC3)C2)c1 ZINC000177979420 432682168 /nfs/dbraw/zinc/68/21/68/432682168.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979420 432682169 /nfs/dbraw/zinc/68/21/69/432682169.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979420 432682173 /nfs/dbraw/zinc/68/21/73/432682173.db2.gz OZOPEHFUFADQPR-VQIMIIECSA-N 3 2 315.505 3.242 20 0 DGADLP CN(c1[nH+]cnc2[nH]ccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000224900357 432684546 /nfs/dbraw/zinc/68/45/46/432684546.db2.gz UKJRPQVURCWTIS-INIZCTEOSA-N 2 2 321.428 3.059 20 0 DGADLP CN(c1[nH+]cnc2[nH]ccc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000224900357 432684550 /nfs/dbraw/zinc/68/45/50/432684550.db2.gz UKJRPQVURCWTIS-INIZCTEOSA-N 2 2 321.428 3.059 20 0 DGADLP CC(C)C[C@@H](C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2)[NH+](C)C ZINC000236685724 432757279 /nfs/dbraw/zinc/75/72/79/432757279.db2.gz UEORSFNTCUQJKC-WBVHZDCISA-N 2 2 320.477 3.302 20 0 DGADLP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581795 432768083 /nfs/dbraw/zinc/76/80/83/432768083.db2.gz IEKQODQFONFXCL-MAUKXSAKSA-N 2 2 322.880 3.181 20 0 DGADLP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581795 432768088 /nfs/dbraw/zinc/76/80/88/432768088.db2.gz IEKQODQFONFXCL-MAUKXSAKSA-N 2 2 322.880 3.181 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000189234646 432771173 /nfs/dbraw/zinc/77/11/73/432771173.db2.gz XWWVGLQHAFOIBM-RRFJBIMHSA-N 2 2 322.415 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000189234646 432771178 /nfs/dbraw/zinc/77/11/78/432771178.db2.gz XWWVGLQHAFOIBM-RRFJBIMHSA-N 2 2 322.415 3.054 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)c2ccccc2)n1-c1ccccc1 ZINC000266660541 432775216 /nfs/dbraw/zinc/77/52/16/432775216.db2.gz XJOTTWLITBACJC-HXUWFJFHSA-N 2 2 321.424 3.178 20 0 DGADLP CCOC(CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OCC ZINC000276191328 432781600 /nfs/dbraw/zinc/78/16/00/432781600.db2.gz HXNGCOBIPCBAPI-AEFFLSMTSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OCC ZINC000276191328 432781604 /nfs/dbraw/zinc/78/16/04/432781604.db2.gz HXNGCOBIPCBAPI-AEFFLSMTSA-N 2 2 320.477 3.028 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000178383594 432729555 /nfs/dbraw/zinc/72/95/55/432729555.db2.gz FIEIIQLIOXLSDG-PMUMKWKESA-N 2 2 316.445 3.124 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000178383594 432729560 /nfs/dbraw/zinc/72/95/60/432729560.db2.gz FIEIIQLIOXLSDG-PMUMKWKESA-N 2 2 316.445 3.124 20 0 DGADLP Cc1cc(C[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000178439216 432737143 /nfs/dbraw/zinc/73/71/43/432737143.db2.gz JICKRTSGILICGU-RTHVDDQRSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cc(C[NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000178439216 432737146 /nfs/dbraw/zinc/73/71/46/432737146.db2.gz JICKRTSGILICGU-RTHVDDQRSA-N 2 2 313.445 3.229 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000235175688 432743175 /nfs/dbraw/zinc/74/31/75/432743175.db2.gz QVCVIQXYOFFYER-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000235175688 432743179 /nfs/dbraw/zinc/74/31/79/432743179.db2.gz QVCVIQXYOFFYER-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000275728350 432744509 /nfs/dbraw/zinc/74/45/09/432744509.db2.gz OOGISVFJHQRLSA-INIZCTEOSA-N 2 2 320.477 3.099 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000276569193 432820010 /nfs/dbraw/zinc/82/00/10/432820010.db2.gz MXKPBJUDZIPGOZ-CQSZACIVSA-N 2 2 311.389 3.016 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276569193 432820014 /nfs/dbraw/zinc/82/00/14/432820014.db2.gz MXKPBJUDZIPGOZ-CQSZACIVSA-N 2 2 311.389 3.016 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000276840968 432826851 /nfs/dbraw/zinc/82/68/51/432826851.db2.gz GXBMCIURKPLDRG-PBHICJAKSA-N 2 2 312.417 3.203 20 0 DGADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000267329837 432833125 /nfs/dbraw/zinc/83/31/25/432833125.db2.gz BNBNZTBYHCCKMP-ZDUSSCGKSA-N 2 2 302.809 3.013 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237737216 432799174 /nfs/dbraw/zinc/79/91/74/432799174.db2.gz HXXNVBJMHLKWGJ-CABCVRRESA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237737216 432799178 /nfs/dbraw/zinc/79/91/78/432799178.db2.gz HXXNVBJMHLKWGJ-CABCVRRESA-N 2 2 314.351 3.302 20 0 DGADLP [NH3+]CC1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCC1 ZINC000237769685 432800875 /nfs/dbraw/zinc/80/08/75/432800875.db2.gz MRDHXZGEAZPQRR-UHFFFAOYSA-N 2 2 311.385 3.332 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039279 432808520 /nfs/dbraw/zinc/80/85/20/432808520.db2.gz CUPRRUJHTKKMMZ-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039279 432808524 /nfs/dbraw/zinc/80/85/24/432808524.db2.gz CUPRRUJHTKKMMZ-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039279 432808526 /nfs/dbraw/zinc/80/85/26/432808526.db2.gz CUPRRUJHTKKMMZ-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000267039279 432808529 /nfs/dbraw/zinc/80/85/29/432808529.db2.gz CUPRRUJHTKKMMZ-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000245954135 432872807 /nfs/dbraw/zinc/87/28/07/432872807.db2.gz CLDWHCLQUSTHOY-OLZOCXBDSA-N 2 2 320.868 3.219 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000245954135 432872810 /nfs/dbraw/zinc/87/28/10/432872810.db2.gz CLDWHCLQUSTHOY-OLZOCXBDSA-N 2 2 320.868 3.219 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000245592866 432847317 /nfs/dbraw/zinc/84/73/17/432847317.db2.gz LAAGJSSDVSVGKO-LNLFQRSKSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000245592866 432847319 /nfs/dbraw/zinc/84/73/19/432847319.db2.gz LAAGJSSDVSVGKO-LNLFQRSKSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)CO1 ZINC000245592866 432847321 /nfs/dbraw/zinc/84/73/21/432847321.db2.gz LAAGJSSDVSVGKO-LNLFQRSKSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](C)CO1 ZINC000245592866 432847324 /nfs/dbraw/zinc/84/73/24/432847324.db2.gz LAAGJSSDVSVGKO-LNLFQRSKSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000245612437 432848554 /nfs/dbraw/zinc/84/85/54/432848554.db2.gz UBQUPZIFNBUGIH-DZFGPLHGSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000245612437 432848556 /nfs/dbraw/zinc/84/85/56/432848556.db2.gz UBQUPZIFNBUGIH-DZFGPLHGSA-N 2 2 324.468 3.281 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000245610907 432849241 /nfs/dbraw/zinc/84/92/41/432849241.db2.gz VHSZFNQLRNWSGX-OXQOHEQNSA-N 2 2 324.472 3.470 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000245610907 432849243 /nfs/dbraw/zinc/84/92/43/432849243.db2.gz VHSZFNQLRNWSGX-OXQOHEQNSA-N 2 2 324.472 3.470 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC(C)C ZINC000277434310 432849417 /nfs/dbraw/zinc/84/94/17/432849417.db2.gz JRTUAAYXHQTIHF-QGZVFWFLSA-N 2 2 320.477 3.399 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC(C)C ZINC000277434310 432849419 /nfs/dbraw/zinc/84/94/19/432849419.db2.gz JRTUAAYXHQTIHF-QGZVFWFLSA-N 2 2 320.477 3.399 20 0 DGADLP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245691389 432857061 /nfs/dbraw/zinc/85/70/61/432857061.db2.gz QJQICTHVTLQMET-WMZOPIPTSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245691389 432857063 /nfs/dbraw/zinc/85/70/63/432857063.db2.gz QJQICTHVTLQMET-WMZOPIPTSA-N 2 2 313.445 3.462 20 0 DGADLP CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC000277540369 432859224 /nfs/dbraw/zinc/85/92/24/432859224.db2.gz ZGBCTVUFPNOZKL-KGLIPLIRSA-N 2 2 324.432 3.355 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000289238895 432937141 /nfs/dbraw/zinc/93/71/41/432937141.db2.gz MPWRXTBTTYGKPK-XHSDSOJGSA-N 2 2 304.409 3.038 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000289238895 432937145 /nfs/dbraw/zinc/93/71/45/432937145.db2.gz MPWRXTBTTYGKPK-XHSDSOJGSA-N 2 2 304.409 3.038 20 0 DGADLP c1csc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000289264409 432939627 /nfs/dbraw/zinc/93/96/27/432939627.db2.gz DKOBWVBETVEELN-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289273678 432940855 /nfs/dbraw/zinc/94/08/55/432940855.db2.gz GMDMRKVYPRRWIC-OAHLLOKOSA-N 2 2 316.367 3.102 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289273678 432940858 /nfs/dbraw/zinc/94/08/58/432940858.db2.gz GMDMRKVYPRRWIC-OAHLLOKOSA-N 2 2 316.367 3.102 20 0 DGADLP CC(C)(C)c1cnc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000279215670 432945960 /nfs/dbraw/zinc/94/59/60/432945960.db2.gz WPZBVXBGXLGRND-UHFFFAOYSA-N 2 2 304.463 3.427 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000288789516 432897178 /nfs/dbraw/zinc/89/71/78/432897178.db2.gz CGHVPNKXFDEKOK-SFHVURJKSA-N 2 2 315.461 3.389 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440381 432907645 /nfs/dbraw/zinc/90/76/45/432907645.db2.gz MPJYRVCSSDBDRW-AYOQOUSVSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@@H]1C[C@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2[nH+]ccn21 ZINC000296440381 432907647 /nfs/dbraw/zinc/90/76/47/432907647.db2.gz MPJYRVCSSDBDRW-AYOQOUSVSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000296460717 432910835 /nfs/dbraw/zinc/91/08/35/432910835.db2.gz OSUHONYFZSAFEQ-GJYPPUQNSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCn2ccnc21 ZINC000297142521 432964478 /nfs/dbraw/zinc/96/44/78/432964478.db2.gz ZNMNAXRQDVCWGA-JFIYKMOQSA-N 2 2 324.472 3.074 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000349461163 432965672 /nfs/dbraw/zinc/96/56/72/432965672.db2.gz QOXMHKGLAASUBR-FXAWDEMLSA-N 2 2 324.472 3.276 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000349461163 432965674 /nfs/dbraw/zinc/96/56/74/432965674.db2.gz QOXMHKGLAASUBR-FXAWDEMLSA-N 2 2 324.472 3.276 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)co2)cc1 ZINC000341131113 432969531 /nfs/dbraw/zinc/96/95/31/432969531.db2.gz CGVGAWNDVMSYMB-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)co2)cc1 ZINC000341131113 432969539 /nfs/dbraw/zinc/96/95/39/432969539.db2.gz CGVGAWNDVMSYMB-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)cc2[nH+]1 ZINC000332095749 432973100 /nfs/dbraw/zinc/97/31/00/432973100.db2.gz NZEQCLSQCFCCHR-UTUOFQBUSA-N 2 2 300.406 3.071 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137987 432974350 /nfs/dbraw/zinc/97/43/50/432974350.db2.gz AQSJSXQIBROYDT-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137987 432974352 /nfs/dbraw/zinc/97/43/52/432974352.db2.gz AQSJSXQIBROYDT-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137987 432974354 /nfs/dbraw/zinc/97/43/54/432974354.db2.gz AQSJSXQIBROYDT-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137987 432974357 /nfs/dbraw/zinc/97/43/57/432974357.db2.gz AQSJSXQIBROYDT-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H](O)C(C)(C)C ZINC000290136929 432997274 /nfs/dbraw/zinc/99/72/74/432997274.db2.gz ZUGVEUZDCRRXJP-YJBOKZPZSA-N 2 2 315.461 3.216 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](O)C(C)(C)C ZINC000290136929 432997275 /nfs/dbraw/zinc/99/72/75/432997275.db2.gz ZUGVEUZDCRRXJP-YJBOKZPZSA-N 2 2 315.461 3.216 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349424679 432959125 /nfs/dbraw/zinc/95/91/25/432959125.db2.gz UGOSGYLRJXXKSD-JYPHPWERSA-N 2 2 302.462 3.053 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349424679 432959130 /nfs/dbraw/zinc/95/91/30/432959130.db2.gz UGOSGYLRJXXKSD-JYPHPWERSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)C[C@@H](C)O1 ZINC000280397086 433044918 /nfs/dbraw/zinc/04/49/18/433044918.db2.gz XIQZATJEBMSPDL-MDZRGWNJSA-N 2 2 317.477 3.012 20 0 DGADLP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000290178406 433006632 /nfs/dbraw/zinc/00/66/32/433006632.db2.gz QOMXWBOMUQLIFT-LJQANCHMSA-N 2 2 314.473 3.156 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CCC([NH+]4CCCCC4)CC3)n21 ZINC000349790283 433009941 /nfs/dbraw/zinc/00/99/41/433009941.db2.gz KDNCGDOJTWWHKU-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H](C)C[N@H+](C)Cc3ccccc3)cn2c1 ZINC000341271401 433012045 /nfs/dbraw/zinc/01/20/45/433012045.db2.gz LKHFQSNSHFIEHH-QGZVFWFLSA-N 2 2 322.456 3.253 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H](C)C[N@@H+](C)Cc3ccccc3)cn2c1 ZINC000341271401 433012049 /nfs/dbraw/zinc/01/20/49/433012049.db2.gz LKHFQSNSHFIEHH-QGZVFWFLSA-N 2 2 322.456 3.253 20 0 DGADLP c1cn(-c2ccc(CN3CC[NH+](C4CCCCC4)CC3)cc2)c[nH+]1 ZINC000349816535 433015645 /nfs/dbraw/zinc/01/56/45/433015645.db2.gz MTIQAVKJIKXLKJ-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250253 433021103 /nfs/dbraw/zinc/02/11/03/433021103.db2.gz UENNFNDQIBBYMU-HBFSDRIKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250253 433021105 /nfs/dbraw/zinc/02/11/05/433021105.db2.gz UENNFNDQIBBYMU-HBFSDRIKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250253 433021111 /nfs/dbraw/zinc/02/11/11/433021111.db2.gz UENNFNDQIBBYMU-HBFSDRIKSA-N 3 2 317.521 3.215 20 0 DGADLP Cc1cnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000341299332 433021952 /nfs/dbraw/zinc/02/19/52/433021952.db2.gz CWNNYTNVHAEITJ-CQSZACIVSA-N 2 2 316.474 3.162 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000290326056 433031830 /nfs/dbraw/zinc/03/18/30/433031830.db2.gz JWXGFLNFRIOSPC-ZBFHGGJFSA-N 2 2 304.459 3.486 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000290359236 433038987 /nfs/dbraw/zinc/03/89/87/433038987.db2.gz MOYQIEAONUSGCA-KDOFPFPSSA-N 2 2 302.393 3.173 20 0 DGADLP CC[N@@H+](Cc1[nH]ncc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413254 433049200 /nfs/dbraw/zinc/04/92/00/433049200.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1[nH]ncc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413254 433049203 /nfs/dbraw/zinc/04/92/03/433049203.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1[nH]ncc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290413254 433049206 /nfs/dbraw/zinc/04/92/06/433049206.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1[nH]ncc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290413254 433049210 /nfs/dbraw/zinc/04/92/10/433049210.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@@H+](Cc1n[nH]cc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413254 433049213 /nfs/dbraw/zinc/04/92/13/433049213.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1n[nH]cc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413254 433049217 /nfs/dbraw/zinc/04/92/17/433049217.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1n[nH]cc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290413254 433049221 /nfs/dbraw/zinc/04/92/21/433049221.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1n[nH]cc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290413254 433049224 /nfs/dbraw/zinc/04/92/24/433049224.db2.gz LPRZTDWAQKXBKS-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000280435952 433051313 /nfs/dbraw/zinc/05/13/13/433051313.db2.gz JTPBLIQCQWWWPP-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000290404259 433046943 /nfs/dbraw/zinc/04/69/43/433046943.db2.gz JPCYZUQBVRNLTJ-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000290404259 433046948 /nfs/dbraw/zinc/04/69/48/433046948.db2.gz JPCYZUQBVRNLTJ-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)n1C ZINC000419766551 433066751 /nfs/dbraw/zinc/06/67/51/433066751.db2.gz DJNNBNQIMRRYJL-IAGOWNOFSA-N 2 2 312.461 3.016 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297680 433068673 /nfs/dbraw/zinc/06/86/73/433068673.db2.gz VHFIXUUBTUDYFG-KSSFIOAISA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297680 433068680 /nfs/dbraw/zinc/06/86/80/433068680.db2.gz VHFIXUUBTUDYFG-KSSFIOAISA-N 2 2 322.880 3.154 20 0 DGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c2ccccc12 ZINC000419803790 433071370 /nfs/dbraw/zinc/07/13/70/433071370.db2.gz COVHPWPKIHZTAA-UHFFFAOYSA-N 2 2 308.429 3.238 20 0 DGADLP CC[C@@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]C1 ZINC000373040367 433075250 /nfs/dbraw/zinc/07/52/50/433075250.db2.gz RBZXCBBHCRHMRB-GOSISDBHSA-N 2 2 311.385 3.202 20 0 DGADLP Cc1ccsc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341479966 433082748 /nfs/dbraw/zinc/08/27/48/433082748.db2.gz GTFHSABNNCLZAK-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000453316328 433087359 /nfs/dbraw/zinc/08/73/59/433087359.db2.gz KFOFIPNNHIITMI-QAPCUYQASA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000453316328 433087366 /nfs/dbraw/zinc/08/73/66/433087366.db2.gz KFOFIPNNHIITMI-QAPCUYQASA-N 2 2 315.486 3.452 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC000341540585 433122286 /nfs/dbraw/zinc/12/22/86/433122286.db2.gz CRYRYHMUVMIGEL-OAHLLOKOSA-N 2 2 315.373 3.296 20 0 DGADLP COCC[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000453361560 433122344 /nfs/dbraw/zinc/12/23/44/433122344.db2.gz KPAHERNIZJWDRW-UHFFFAOYSA-N 2 2 322.880 3.116 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000361357196 433126876 /nfs/dbraw/zinc/12/68/76/433126876.db2.gz WFKDIEOEMBCEPB-DNVCBOLYSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000361357196 433126885 /nfs/dbraw/zinc/12/68/85/433126885.db2.gz WFKDIEOEMBCEPB-DNVCBOLYSA-N 2 2 315.461 3.218 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)cc2)c[nH+]1 ZINC000290652916 433130645 /nfs/dbraw/zinc/13/06/45/433130645.db2.gz ZEKQETUEZJAKMS-XUVXKRRUSA-N 2 2 301.393 3.300 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)c[nH+]1 ZINC000354535208 433136980 /nfs/dbraw/zinc/13/69/80/433136980.db2.gz BZPPYPIICZDDCC-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)c[nH+]1 ZINC000354535208 433136985 /nfs/dbraw/zinc/13/69/85/433136985.db2.gz BZPPYPIICZDDCC-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000361377761 433140260 /nfs/dbraw/zinc/14/02/60/433140260.db2.gz PHLXADXZSKYIKX-NVXWUHKLSA-N 2 2 315.461 3.075 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000361377761 433140269 /nfs/dbraw/zinc/14/02/69/433140269.db2.gz PHLXADXZSKYIKX-NVXWUHKLSA-N 2 2 315.461 3.075 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO2)cc1 ZINC000298444788 433140778 /nfs/dbraw/zinc/14/07/78/433140778.db2.gz NSLPOQBZQMZPHR-OALUTQOASA-N 2 2 300.446 3.123 20 0 DGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354549428 433141425 /nfs/dbraw/zinc/14/14/25/433141425.db2.gz YEGJXFFKVCWVKO-IZBJGVDFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354549428 433141434 /nfs/dbraw/zinc/14/14/34/433141434.db2.gz YEGJXFFKVCWVKO-IZBJGVDFSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1cccc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)[nH+]1 ZINC000290695866 433143376 /nfs/dbraw/zinc/14/33/76/433143376.db2.gz VGGMBSBTDHITPL-MRXNPFEDSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1cccc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)[nH+]1 ZINC000290695866 433143389 /nfs/dbraw/zinc/14/33/89/433143389.db2.gz VGGMBSBTDHITPL-MRXNPFEDSA-N 2 2 311.429 3.223 20 0 DGADLP C[C@H]1C[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@H]1[NH3+] ZINC000420290955 433146953 /nfs/dbraw/zinc/14/69/53/433146953.db2.gz MSTWMMTXGOGLJC-GXFFZTMASA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]1C[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@H]1[NH3+] ZINC000420290955 433146960 /nfs/dbraw/zinc/14/69/60/433146960.db2.gz MSTWMMTXGOGLJC-GXFFZTMASA-N 2 2 323.412 3.257 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749354 433101244 /nfs/dbraw/zinc/10/12/44/433101244.db2.gz ADYMVSWMSPNFTN-QZTJIDSGSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749354 433101254 /nfs/dbraw/zinc/10/12/54/433101254.db2.gz ADYMVSWMSPNFTN-QZTJIDSGSA-N 2 2 308.441 3.223 20 0 DGADLP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)nc(C2CC2)[nH+]1 ZINC000341522247 433111152 /nfs/dbraw/zinc/11/11/52/433111152.db2.gz VLLGHXDCBPSLHZ-KRWDZBQOSA-N 2 2 316.493 3.831 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC000446846546 433120514 /nfs/dbraw/zinc/12/05/14/433120514.db2.gz BCJBVKARONVVCC-IXDOHACOSA-N 2 2 324.509 3.066 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC000446846546 433120517 /nfs/dbraw/zinc/12/05/17/433120517.db2.gz BCJBVKARONVVCC-IXDOHACOSA-N 2 2 324.509 3.066 20 0 DGADLP CCC[N@H+](Cc1ncc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000420310498 433155500 /nfs/dbraw/zinc/15/55/00/433155500.db2.gz GCXHYVQCDQVRSP-UHFFFAOYSA-N 2 2 302.249 3.352 20 0 DGADLP CCC[N@@H+](Cc1ncc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000420310498 433155505 /nfs/dbraw/zinc/15/55/05/433155505.db2.gz GCXHYVQCDQVRSP-UHFFFAOYSA-N 2 2 302.249 3.352 20 0 DGADLP Cc1ccc(CCC[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000354580611 433165883 /nfs/dbraw/zinc/16/58/83/433165883.db2.gz WNOXDDBJHVMZMK-UHFFFAOYSA-N 3 2 324.472 3.224 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H](c2ccco2)C1 ZINC000425330135 433169518 /nfs/dbraw/zinc/16/95/18/433169518.db2.gz AUNDNCFNBPMNKD-HIFRSBDPSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H](c2ccco2)C1 ZINC000425330135 433169523 /nfs/dbraw/zinc/16/95/23/433169523.db2.gz AUNDNCFNBPMNKD-HIFRSBDPSA-N 2 2 302.422 3.052 20 0 DGADLP Clc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420342693 433171004 /nfs/dbraw/zinc/17/10/04/433171004.db2.gz XYJIGZZTHMULRM-CQSZACIVSA-N 2 2 314.260 3.352 20 0 DGADLP CCOc1ccc(-c2nc(C[N@H+](C)C3CC([NH3+])C3)cs2)cc1 ZINC000420343981 433172460 /nfs/dbraw/zinc/17/24/60/433172460.db2.gz XMHMJGRRKNODIJ-UHFFFAOYSA-N 2 2 317.458 3.130 20 0 DGADLP CCOc1ccc(-c2nc(C[N@@H+](C)C3CC([NH3+])C3)cs2)cc1 ZINC000420343981 433172466 /nfs/dbraw/zinc/17/24/66/433172466.db2.gz XMHMJGRRKNODIJ-UHFFFAOYSA-N 2 2 317.458 3.130 20 0 DGADLP CCOc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1O ZINC000298547270 433172730 /nfs/dbraw/zinc/17/27/30/433172730.db2.gz UGFWMFPFDIMRDC-UHFFFAOYSA-N 2 2 315.417 3.168 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs1 ZINC000420357389 433175817 /nfs/dbraw/zinc/17/58/17/433175817.db2.gz HPDFOAUCBWCBSV-OAHLLOKOSA-N 2 2 319.474 3.282 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000420355908 433176445 /nfs/dbraw/zinc/17/64/45/433176445.db2.gz FNQIMZYNUKXGFS-CQSZACIVSA-N 2 2 307.825 3.458 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340584 433177188 /nfs/dbraw/zinc/17/71/88/433177188.db2.gz BCAKHMVNDHLLPP-VKJFTORMSA-N 2 2 312.461 3.253 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340584 433177196 /nfs/dbraw/zinc/17/71/96/433177196.db2.gz BCAKHMVNDHLLPP-VKJFTORMSA-N 2 2 312.461 3.253 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000420357786 433178041 /nfs/dbraw/zinc/17/80/41/433178041.db2.gz HTNLNIJULVWSQG-OAHLLOKOSA-N 2 2 319.836 3.473 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000420369949 433180109 /nfs/dbraw/zinc/18/01/09/433180109.db2.gz VKCAQZGIHVDDCR-AWEZNQCLSA-N 2 2 307.438 3.412 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719363 433183102 /nfs/dbraw/zinc/18/31/02/433183102.db2.gz RYQJKAJFFWLJBJ-LEUOFYLZSA-N 2 2 302.462 3.053 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719363 433183109 /nfs/dbraw/zinc/18/31/09/433183109.db2.gz RYQJKAJFFWLJBJ-LEUOFYLZSA-N 2 2 302.462 3.053 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420370666 433183206 /nfs/dbraw/zinc/18/32/06/433183206.db2.gz PABPLZOXCGQRJJ-YRBFXIGRSA-N 2 2 317.477 3.113 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453440286 433185420 /nfs/dbraw/zinc/18/54/20/433185420.db2.gz WOOXHWMRAJATDY-RRCSTGOVSA-N 2 2 306.475 3.041 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453440286 433185428 /nfs/dbraw/zinc/18/54/28/433185428.db2.gz WOOXHWMRAJATDY-RRCSTGOVSA-N 2 2 306.475 3.041 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713301 433186328 /nfs/dbraw/zinc/18/63/28/433186328.db2.gz MREZZPQXPKMWIN-KFKAGJAMSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713301 433186336 /nfs/dbraw/zinc/18/63/36/433186336.db2.gz MREZZPQXPKMWIN-KFKAGJAMSA-N 2 2 302.462 3.054 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)C1CCCCC1 ZINC000420377411 433186402 /nfs/dbraw/zinc/18/64/02/433186402.db2.gz WHASALHDQDBLIG-AWEZNQCLSA-N 2 2 305.447 3.400 20 0 DGADLP Clc1nccc(C[NH2+]CCCNc2cccc[nH+]2)c1Cl ZINC000290845073 433186497 /nfs/dbraw/zinc/18/64/97/433186497.db2.gz JEWHMULOROWWPX-UHFFFAOYSA-N 2 2 311.216 3.375 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717711 433186552 /nfs/dbraw/zinc/18/65/52/433186552.db2.gz QMXPFZYSYRDRID-KZNAEPCWSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717711 433186555 /nfs/dbraw/zinc/18/65/55/433186555.db2.gz QMXPFZYSYRDRID-KZNAEPCWSA-N 2 2 302.462 3.054 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2c[nH+]cn2C(C)C)c1C ZINC000425343972 433186691 /nfs/dbraw/zinc/18/66/91/433186691.db2.gz STNRJRULKDJSMX-UHFFFAOYSA-N 2 2 302.422 3.116 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000420378191 433186935 /nfs/dbraw/zinc/18/69/35/433186935.db2.gz XAJKXZZOZKKFKS-JTNHKYCSSA-N 2 2 302.340 3.061 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387990 433190603 /nfs/dbraw/zinc/19/06/03/433190603.db2.gz GTCWANIIZZKOBV-XJKSGUPXSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387990 433190611 /nfs/dbraw/zinc/19/06/11/433190611.db2.gz GTCWANIIZZKOBV-XJKSGUPXSA-N 2 2 308.853 3.313 20 0 DGADLP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000453443463 433191479 /nfs/dbraw/zinc/19/14/79/433191479.db2.gz XRIYVPVGBABGHR-ZDUSSCGKSA-N 2 2 322.415 3.198 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c[nH+]1 ZINC000354643057 433198366 /nfs/dbraw/zinc/19/83/66/433198366.db2.gz YKTLATSOCXJWLM-FQEVSTJZSA-N 2 2 308.425 3.454 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1cccc(F)c1 ZINC000420392807 433198641 /nfs/dbraw/zinc/19/86/41/433198641.db2.gz PSKCXOSUXVKLBJ-UHOFOFEASA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1cccc(F)c1 ZINC000420392807 433198647 /nfs/dbraw/zinc/19/86/47/433198647.db2.gz PSKCXOSUXVKLBJ-UHOFOFEASA-N 2 2 312.379 3.378 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)C(C)C ZINC000420415301 433200283 /nfs/dbraw/zinc/20/02/83/433200283.db2.gz VCEBWTOVIJYXLK-OAHLLOKOSA-N 2 2 302.422 3.059 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C[NH3+] ZINC000420422778 433202345 /nfs/dbraw/zinc/20/23/45/433202345.db2.gz ZPKMTGGEHKODTJ-OLZOCXBDSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C[NH3+] ZINC000420422778 433202357 /nfs/dbraw/zinc/20/23/57/433202357.db2.gz ZPKMTGGEHKODTJ-OLZOCXBDSA-N 2 2 319.449 3.366 20 0 DGADLP CCc1ccc([C@H]2CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425378176 433213240 /nfs/dbraw/zinc/21/32/40/433213240.db2.gz IVYUXLCNUROZFB-KRWDZBQOSA-N 2 2 312.461 3.038 20 0 DGADLP CCc1ccc([C@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425378176 433213268 /nfs/dbraw/zinc/21/32/68/433213268.db2.gz IVYUXLCNUROZFB-KRWDZBQOSA-N 2 2 312.461 3.038 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000447527366 433213940 /nfs/dbraw/zinc/21/39/40/433213940.db2.gz DVRQYZUPLSJJPX-AWEZNQCLSA-N 2 2 322.449 3.371 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000447527366 433213943 /nfs/dbraw/zinc/21/39/43/433213943.db2.gz DVRQYZUPLSJJPX-AWEZNQCLSA-N 2 2 322.449 3.371 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1C ZINC000425388112 433218887 /nfs/dbraw/zinc/21/88/87/433218887.db2.gz VXRCYUIIXIMVGA-QRVBRYPASA-N 2 2 324.472 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1C ZINC000425388112 433218894 /nfs/dbraw/zinc/21/88/94/433218894.db2.gz VXRCYUIIXIMVGA-QRVBRYPASA-N 2 2 324.472 3.254 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000453589283 433219556 /nfs/dbraw/zinc/21/95/56/433219556.db2.gz MQPYVRAZYGMZJA-SECBINFHSA-N 2 2 305.285 3.249 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000280908590 433222665 /nfs/dbraw/zinc/22/26/65/433222665.db2.gz GPSIIIOUZFCHTE-GOSISDBHSA-N 2 2 324.472 3.233 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000280908590 433222676 /nfs/dbraw/zinc/22/26/76/433222676.db2.gz GPSIIIOUZFCHTE-GOSISDBHSA-N 2 2 324.472 3.233 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccsc1Cl ZINC000361543144 433235689 /nfs/dbraw/zinc/23/56/89/433235689.db2.gz KWQWILJDYHILJA-MGPQQGTHSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccsc1Cl ZINC000361543144 433235695 /nfs/dbraw/zinc/23/56/95/433235695.db2.gz KWQWILJDYHILJA-MGPQQGTHSA-N 2 2 314.882 3.085 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337583110 433244003 /nfs/dbraw/zinc/24/40/03/433244003.db2.gz JVNOBYGDYCGKAS-KBPBESRZSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337583110 433244006 /nfs/dbraw/zinc/24/40/06/433244006.db2.gz JVNOBYGDYCGKAS-KBPBESRZSA-N 2 2 314.351 3.302 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c[nH+]1 ZINC000453634614 433254566 /nfs/dbraw/zinc/25/45/66/433254566.db2.gz RGCYGLPKUUCJFC-FQEVSTJZSA-N 2 2 312.457 3.133 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCc3cc(F)ccc32)C[C@@H](C)O1 ZINC000341759922 433256240 /nfs/dbraw/zinc/25/62/40/433256240.db2.gz WINGTNNLFYESRO-CLCXKQKWSA-N 2 2 320.452 3.292 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718307 433263407 /nfs/dbraw/zinc/26/34/07/433263407.db2.gz LWHWKALOHJFOPG-CRAIPNDOSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000374718307 433263418 /nfs/dbraw/zinc/26/34/18/433263418.db2.gz LWHWKALOHJFOPG-CRAIPNDOSA-N 2 2 324.472 3.110 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547275 433264365 /nfs/dbraw/zinc/26/43/65/433264365.db2.gz LWRQQCXUBPXNOB-IAQYHMDHSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547275 433264371 /nfs/dbraw/zinc/26/43/71/433264371.db2.gz LWRQQCXUBPXNOB-IAQYHMDHSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547275 433264381 /nfs/dbraw/zinc/26/43/81/433264381.db2.gz LWRQQCXUBPXNOB-IAQYHMDHSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547275 433264390 /nfs/dbraw/zinc/26/43/90/433264390.db2.gz LWRQQCXUBPXNOB-IAQYHMDHSA-N 2 2 316.367 3.183 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728318 433266781 /nfs/dbraw/zinc/26/67/81/433266781.db2.gz CRFPEZNZGAYIQX-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728318 433266792 /nfs/dbraw/zinc/26/67/92/433266792.db2.gz CRFPEZNZGAYIQX-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728318 433266798 /nfs/dbraw/zinc/26/67/98/433266798.db2.gz CRFPEZNZGAYIQX-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728318 433266807 /nfs/dbraw/zinc/26/68/07/433266807.db2.gz CRFPEZNZGAYIQX-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420925601 433318066 /nfs/dbraw/zinc/31/80/66/433318066.db2.gz LXFYJZKUDZUMAY-SFHVURJKSA-N 2 2 301.409 3.428 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420925601 433318079 /nfs/dbraw/zinc/31/80/79/433318079.db2.gz LXFYJZKUDZUMAY-SFHVURJKSA-N 2 2 301.409 3.428 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447902232 433320189 /nfs/dbraw/zinc/32/01/89/433320189.db2.gz JGJVUDRXTZOIGL-WBVHZDCISA-N 2 2 317.477 3.114 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447902232 433320198 /nfs/dbraw/zinc/32/01/98/433320198.db2.gz JGJVUDRXTZOIGL-WBVHZDCISA-N 2 2 317.477 3.114 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999474 433270273 /nfs/dbraw/zinc/27/02/73/433270273.db2.gz OTDNGMCLNRZYHF-UYAOXDASSA-N 2 2 314.473 3.035 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999474 433270279 /nfs/dbraw/zinc/27/02/79/433270279.db2.gz OTDNGMCLNRZYHF-UYAOXDASSA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999474 433270288 /nfs/dbraw/zinc/27/02/88/433270288.db2.gz OTDNGMCLNRZYHF-UYAOXDASSA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000337999474 433270296 /nfs/dbraw/zinc/27/02/96/433270296.db2.gz OTDNGMCLNRZYHF-UYAOXDASSA-N 2 2 314.473 3.035 20 0 DGADLP C[N@H+](CCOc1ccccc1C(C)(C)C)CCn1cc[nH+]c1 ZINC000361600306 433277481 /nfs/dbraw/zinc/27/74/81/433277481.db2.gz GKNLMCFMNNUVJZ-UHFFFAOYSA-N 2 2 301.434 3.191 20 0 DGADLP C[N@@H+](CCOc1ccccc1C(C)(C)C)CCn1cc[nH+]c1 ZINC000361600306 433277489 /nfs/dbraw/zinc/27/74/89/433277489.db2.gz GKNLMCFMNNUVJZ-UHFFFAOYSA-N 2 2 301.434 3.191 20 0 DGADLP c1cn(CC[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)c[nH+]1 ZINC000425520693 433280227 /nfs/dbraw/zinc/28/02/27/433280227.db2.gz YRNBCPFZXCURNW-UHFFFAOYSA-N 2 2 316.474 3.098 20 0 DGADLP Cc1[nH+]cc(CN(C)CCC[NH+]2CCCC2)n1-c1ccccc1 ZINC000281383517 433295342 /nfs/dbraw/zinc/29/53/42/433295342.db2.gz WIGFIFNJPVTQAC-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900886 433300992 /nfs/dbraw/zinc/30/09/92/433300992.db2.gz IXTVPIKTRPYFER-MRXNPFEDSA-N 2 2 314.429 3.305 20 0 DGADLP C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900886 433301001 /nfs/dbraw/zinc/30/10/01/433301001.db2.gz IXTVPIKTRPYFER-MRXNPFEDSA-N 2 2 314.429 3.305 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000448026669 433351291 /nfs/dbraw/zinc/35/12/91/433351291.db2.gz JGYNNTFWXDXDLC-DLBZAZTESA-N 2 2 318.509 3.158 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000448026669 433351303 /nfs/dbraw/zinc/35/13/03/433351303.db2.gz JGYNNTFWXDXDLC-DLBZAZTESA-N 2 2 318.509 3.158 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000361711098 433356338 /nfs/dbraw/zinc/35/63/38/433356338.db2.gz GFLFACTWDUJFSI-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CCC[N@H+](C(C)C)CC1 ZINC000361711098 433356343 /nfs/dbraw/zinc/35/63/43/433356343.db2.gz GFLFACTWDUJFSI-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414057853 433363429 /nfs/dbraw/zinc/36/34/29/433363429.db2.gz GJYYADRGOMSRTE-IXDOHACOSA-N 2 2 320.477 3.154 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000414057853 433363437 /nfs/dbraw/zinc/36/34/37/433363437.db2.gz GJYYADRGOMSRTE-IXDOHACOSA-N 2 2 320.477 3.154 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000414079212 433378223 /nfs/dbraw/zinc/37/82/23/433378223.db2.gz SPRBZGNMKTZITJ-ZWKOTPCHSA-N 2 2 301.478 3.460 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C2 ZINC000425913305 433375250 /nfs/dbraw/zinc/37/52/50/433375250.db2.gz GMOGOIFBWVZLKX-DLBZAZTESA-N 2 2 304.478 3.118 20 0 DGADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cccc(C)[nH+]2)cc1 ZINC000354874296 433334854 /nfs/dbraw/zinc/33/48/54/433334854.db2.gz DKSNVLDSPYOPRG-GOSISDBHSA-N 2 2 311.429 3.184 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899255 433343468 /nfs/dbraw/zinc/34/34/68/433343468.db2.gz GQCSOXCMCIDFTC-WOJBJXKFSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899255 433343480 /nfs/dbraw/zinc/34/34/80/433343480.db2.gz GQCSOXCMCIDFTC-WOJBJXKFSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899255 433343489 /nfs/dbraw/zinc/34/34/89/433343489.db2.gz GQCSOXCMCIDFTC-WOJBJXKFSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@@H](C4CC4)C3)C2)cc1 ZINC000341899255 433343500 /nfs/dbraw/zinc/34/35/00/433343500.db2.gz GQCSOXCMCIDFTC-WOJBJXKFSA-N 2 2 314.473 3.009 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000361866084 433428978 /nfs/dbraw/zinc/42/89/78/433428978.db2.gz SOZBCVGGISEUFE-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000361866084 433428987 /nfs/dbraw/zinc/42/89/87/433428987.db2.gz SOZBCVGGISEUFE-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccn(C)n1 ZINC000414080240 433384943 /nfs/dbraw/zinc/38/49/43/433384943.db2.gz DAUJQTKFYOWIJH-VBQJREDUSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccn(C)n1 ZINC000414080240 433384954 /nfs/dbraw/zinc/38/49/54/433384954.db2.gz DAUJQTKFYOWIJH-VBQJREDUSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000448351269 433389952 /nfs/dbraw/zinc/38/99/52/433389952.db2.gz PVWGJACBKVADPI-BPQIPLTHSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000448351269 433389961 /nfs/dbraw/zinc/38/99/61/433389961.db2.gz PVWGJACBKVADPI-BPQIPLTHSA-N 2 2 304.503 3.240 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414097107 433390742 /nfs/dbraw/zinc/39/07/42/433390742.db2.gz IBFIYWMOIOGBAA-SOLBZPMBSA-N 2 2 318.509 3.381 20 0 DGADLP Cc1ccccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987466 433392511 /nfs/dbraw/zinc/39/25/11/433392511.db2.gz ZRRPTTSROCZHML-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425987466 433392520 /nfs/dbraw/zinc/39/25/20/433392520.db2.gz ZRRPTTSROCZHML-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425987466 433392531 /nfs/dbraw/zinc/39/25/31/433392531.db2.gz ZRRPTTSROCZHML-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425987466 433392541 /nfs/dbraw/zinc/39/25/41/433392541.db2.gz ZRRPTTSROCZHML-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000375269621 433402458 /nfs/dbraw/zinc/40/24/58/433402458.db2.gz QVYLUMGKFUFJBU-ZDUSSCGKSA-N 2 2 315.417 3.087 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000426048500 433411331 /nfs/dbraw/zinc/41/13/31/433411331.db2.gz HNSHQVMRGVGYJL-SJORKVTESA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000426048500 433411338 /nfs/dbraw/zinc/41/13/38/433411338.db2.gz HNSHQVMRGVGYJL-SJORKVTESA-N 2 2 302.462 3.017 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000361838854 433413381 /nfs/dbraw/zinc/41/33/81/433413381.db2.gz DXIZVYCBTQOWGT-QOKNQOGYSA-N 2 2 313.445 3.162 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000361838854 433413392 /nfs/dbraw/zinc/41/33/92/433413392.db2.gz DXIZVYCBTQOWGT-QOKNQOGYSA-N 2 2 313.445 3.162 20 0 DGADLP CC[C@]1(CO)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361850907 433422455 /nfs/dbraw/zinc/42/24/55/433422455.db2.gz UBHZBRKEIPOGAC-IBGZPJMESA-N 2 2 313.445 3.165 20 0 DGADLP CC[C@]1(CO)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361850907 433422462 /nfs/dbraw/zinc/42/24/62/433422462.db2.gz UBHZBRKEIPOGAC-IBGZPJMESA-N 2 2 313.445 3.165 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000355046126 433436247 /nfs/dbraw/zinc/43/62/47/433436247.db2.gz DIAUWGMRKKICMK-ZFWWWQNUSA-N 2 2 316.367 3.023 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000355046126 433436250 /nfs/dbraw/zinc/43/62/50/433436250.db2.gz DIAUWGMRKKICMK-ZFWWWQNUSA-N 2 2 316.367 3.023 20 0 DGADLP CCn1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000414208648 433461958 /nfs/dbraw/zinc/46/19/58/433461958.db2.gz MCKBESQZVOCABQ-CQSZACIVSA-N 2 2 309.417 3.248 20 0 DGADLP Cc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301215355 433455169 /nfs/dbraw/zinc/45/51/69/433455169.db2.gz ZROWOSCZALDGQD-INIZCTEOSA-N 2 2 302.466 3.363 20 0 DGADLP C[C@H]([C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12)[NH+]1CCOCC1 ZINC000301213892 433456409 /nfs/dbraw/zinc/45/64/09/433456409.db2.gz WOKZJOICPWFFJT-QWHCGFSZSA-N 2 2 319.836 3.409 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000414205160 433457425 /nfs/dbraw/zinc/45/74/25/433457425.db2.gz GXUFMTZDLOOWBX-WMZOPIPTSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000414205160 433457433 /nfs/dbraw/zinc/45/74/33/433457433.db2.gz GXUFMTZDLOOWBX-WMZOPIPTSA-N 2 2 312.461 3.046 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1OC(F)F ZINC000423369639 290008055 /nfs/dbraw/zinc/00/80/55/290008055.db2.gz GBNXUPPBTBRNCW-OUJBWJOFSA-N 2 2 302.340 3.218 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000414205157 433459019 /nfs/dbraw/zinc/45/90/19/433459019.db2.gz GXUFMTZDLOOWBX-AEFFLSMTSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000414205157 433459028 /nfs/dbraw/zinc/45/90/28/433459028.db2.gz GXUFMTZDLOOWBX-AEFFLSMTSA-N 2 2 312.461 3.046 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)o1 ZINC000342087819 433461213 /nfs/dbraw/zinc/46/12/13/433461213.db2.gz PXGMRBPMWHZIAB-QEJZJMRPSA-N 2 2 317.458 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)o1 ZINC000342087819 433461221 /nfs/dbraw/zinc/46/12/21/433461221.db2.gz PXGMRBPMWHZIAB-QEJZJMRPSA-N 2 2 317.458 3.271 20 0 DGADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000292114451 433466930 /nfs/dbraw/zinc/46/69/30/433466930.db2.gz PUJWKCBLFQZPNK-ZDUSSCGKSA-N 2 2 312.417 3.301 20 0 DGADLP COc1cccc2c1CC[N@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000355124033 433477357 /nfs/dbraw/zinc/47/73/57/433477357.db2.gz NXQDZFPBIXBMFT-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP COc1cccc2c1CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000355124033 433477366 /nfs/dbraw/zinc/47/73/66/433477366.db2.gz NXQDZFPBIXBMFT-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCCSC1 ZINC000355127888 433480874 /nfs/dbraw/zinc/48/08/74/433480874.db2.gz TXOKNNGWIVHILY-KRWDZBQOSA-N 2 2 308.491 3.167 20 0 DGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCCSC1 ZINC000355127888 433480885 /nfs/dbraw/zinc/48/08/85/433480885.db2.gz TXOKNNGWIVHILY-KRWDZBQOSA-N 2 2 308.491 3.167 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000282066520 433483022 /nfs/dbraw/zinc/48/30/22/433483022.db2.gz WKWISERJDWYWPI-ZWKOTPCHSA-N 2 2 308.441 3.367 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000282066520 433483030 /nfs/dbraw/zinc/48/30/30/433483030.db2.gz WKWISERJDWYWPI-ZWKOTPCHSA-N 2 2 308.441 3.367 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426403395 433484447 /nfs/dbraw/zinc/48/44/47/433484447.db2.gz WHKBLBZHNBUKLS-JKSUJKDBSA-N 2 2 320.477 3.043 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426403395 433484461 /nfs/dbraw/zinc/48/44/61/433484461.db2.gz WHKBLBZHNBUKLS-JKSUJKDBSA-N 2 2 320.477 3.043 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414289544 433517459 /nfs/dbraw/zinc/51/74/59/433517459.db2.gz MRSDGFKIDGBZLA-ZDUSSCGKSA-N 2 2 312.417 3.392 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2csc3ccccc23)n1C ZINC000414294199 433520547 /nfs/dbraw/zinc/52/05/47/433520547.db2.gz DMHSGPZBTBJRTF-UHFFFAOYSA-N 2 2 314.458 3.033 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000414298189 433525874 /nfs/dbraw/zinc/52/58/74/433525874.db2.gz GTKJBSNWKWSUJQ-XYJFISCASA-N 2 2 302.462 3.054 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000414298189 433525881 /nfs/dbraw/zinc/52/58/81/433525881.db2.gz GTKJBSNWKWSUJQ-XYJFISCASA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCC2(O)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000421390504 433537274 /nfs/dbraw/zinc/53/72/74/433537274.db2.gz SKYMFVMXZRAJDY-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCC2(O)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421390504 433537284 /nfs/dbraw/zinc/53/72/84/433537284.db2.gz SKYMFVMXZRAJDY-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP FC(F)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282074549 433486063 /nfs/dbraw/zinc/48/60/63/433486063.db2.gz HFAKGLSSTOWVCR-INIZCTEOSA-N 2 2 324.415 3.168 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000339279749 433492663 /nfs/dbraw/zinc/49/26/63/433492663.db2.gz POJSSWSDKQUWCV-DYVFJYSZSA-N 2 2 319.474 3.471 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000426416796 433492778 /nfs/dbraw/zinc/49/27/78/433492778.db2.gz MACLDKJSTOJRDJ-HNNXBMFYSA-N 2 2 303.431 3.144 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000426416796 433492788 /nfs/dbraw/zinc/49/27/88/433492788.db2.gz MACLDKJSTOJRDJ-HNNXBMFYSA-N 2 2 303.431 3.144 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000414279731 433509219 /nfs/dbraw/zinc/50/92/19/433509219.db2.gz JSKAAFHCOYMXOL-LMCLKVLCSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000414279731 433509222 /nfs/dbraw/zinc/50/92/22/433509222.db2.gz JSKAAFHCOYMXOL-LMCLKVLCSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000414279730 433509236 /nfs/dbraw/zinc/50/92/36/433509236.db2.gz JSKAAFHCOYMXOL-BQUOXIOCSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000414279730 433509242 /nfs/dbraw/zinc/50/92/42/433509242.db2.gz JSKAAFHCOYMXOL-BQUOXIOCSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@H](C1CC1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742135 433552791 /nfs/dbraw/zinc/55/27/91/433552791.db2.gz HPZUVKKDSNZUQK-APWZRJJASA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](C1CC1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742135 433552804 /nfs/dbraw/zinc/55/28/04/433552804.db2.gz HPZUVKKDSNZUQK-APWZRJJASA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](C1CC1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375742135 433552812 /nfs/dbraw/zinc/55/28/12/433552812.db2.gz HPZUVKKDSNZUQK-APWZRJJASA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](C1CC1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375742135 433552820 /nfs/dbraw/zinc/55/28/20/433552820.db2.gz HPZUVKKDSNZUQK-APWZRJJASA-N 2 2 302.462 3.008 20 0 DGADLP Clc1cccc2c(NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000342240095 433561180 /nfs/dbraw/zinc/56/11/80/433561180.db2.gz XJFKXWCDHGPHRC-CYBMUJFWSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1cccc2c(NC[C@@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000342240095 433561191 /nfs/dbraw/zinc/56/11/91/433561191.db2.gz XJFKXWCDHGPHRC-CYBMUJFWSA-N 2 2 317.820 3.163 20 0 DGADLP Cc1ccsc1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000414360367 433568108 /nfs/dbraw/zinc/56/81/08/433568108.db2.gz ACNGMEADIOEADQ-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C)nn2)cc1 ZINC000414358008 433568404 /nfs/dbraw/zinc/56/84/04/433568404.db2.gz AYNDFUFCDBXJJK-AWEZNQCLSA-N 2 2 307.401 3.130 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C)nn2)cc1 ZINC000414358010 433568954 /nfs/dbraw/zinc/56/89/54/433568954.db2.gz AYNDFUFCDBXJJK-CQSZACIVSA-N 2 2 307.401 3.130 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3Cl)C2)C1 ZINC000339426119 433575236 /nfs/dbraw/zinc/57/52/36/433575236.db2.gz KNHVPIRQDCSMII-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3Cl)C2)C1 ZINC000339426119 433575248 /nfs/dbraw/zinc/57/52/48/433575248.db2.gz KNHVPIRQDCSMII-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccccc3Cl)C2)C1 ZINC000339426119 433575254 /nfs/dbraw/zinc/57/52/54/433575254.db2.gz KNHVPIRQDCSMII-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccccc3Cl)C2)C1 ZINC000339426119 433575263 /nfs/dbraw/zinc/57/52/63/433575263.db2.gz KNHVPIRQDCSMII-KRWDZBQOSA-N 2 2 308.853 3.137 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000282376245 433583860 /nfs/dbraw/zinc/58/38/60/433583860.db2.gz WVVKFQHTZROKKV-JKSUJKDBSA-N 2 2 301.434 3.140 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000282376240 433585355 /nfs/dbraw/zinc/58/53/55/433585355.db2.gz WVVKFQHTZROKKV-HZPDHXFCSA-N 2 2 301.434 3.140 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000414385031 433585637 /nfs/dbraw/zinc/58/56/37/433585637.db2.gz WFMKYSIGSCMULV-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000414385031 433585640 /nfs/dbraw/zinc/58/56/40/433585640.db2.gz WFMKYSIGSCMULV-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP COC1(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339445736 433593084 /nfs/dbraw/zinc/59/30/84/433593084.db2.gz ZNUXZBPGURFYNI-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339445736 433593093 /nfs/dbraw/zinc/59/30/93/433593093.db2.gz ZNUXZBPGURFYNI-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351515907 433545033 /nfs/dbraw/zinc/54/50/33/433545033.db2.gz DLKXPWIWCOQSCJ-WMZOPIPTSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351515907 433545041 /nfs/dbraw/zinc/54/50/41/433545041.db2.gz DLKXPWIWCOQSCJ-WMZOPIPTSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000351515907 433545047 /nfs/dbraw/zinc/54/50/47/433545047.db2.gz DLKXPWIWCOQSCJ-WMZOPIPTSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351515907 433545055 /nfs/dbraw/zinc/54/50/55/433545055.db2.gz DLKXPWIWCOQSCJ-WMZOPIPTSA-N 2 2 320.477 3.214 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1Cl ZINC000414397649 433597783 /nfs/dbraw/zinc/59/77/83/433597783.db2.gz UTYHTLUDUAXLRX-JTQLQIEISA-N 2 2 310.804 3.129 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356526134 433602589 /nfs/dbraw/zinc/60/25/89/433602589.db2.gz MJOHJNRNDNVBKB-ROUUACIJSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356526134 433602597 /nfs/dbraw/zinc/60/25/97/433602597.db2.gz MJOHJNRNDNVBKB-ROUUACIJSA-N 2 2 300.446 3.356 20 0 DGADLP OCC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000342304691 433606103 /nfs/dbraw/zinc/60/61/03/433606103.db2.gz PKWXOINNZBEBGO-INIZCTEOSA-N 2 2 315.804 3.201 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000351617139 433615441 /nfs/dbraw/zinc/61/54/41/433615441.db2.gz XBNMUUIXQCLFQO-INIZCTEOSA-N 2 2 310.507 3.461 20 0 DGADLP CC[NH+](CC)CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000351617139 433615452 /nfs/dbraw/zinc/61/54/52/433615452.db2.gz XBNMUUIXQCLFQO-INIZCTEOSA-N 2 2 310.507 3.461 20 0 DGADLP Clc1c[nH+]ccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000301569844 433617125 /nfs/dbraw/zinc/61/71/25/433617125.db2.gz KPSATHURQYOHJW-UHFFFAOYSA-N 2 2 309.841 3.182 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000301593832 433627225 /nfs/dbraw/zinc/62/72/25/433627225.db2.gz ZETJTQDHTANUGG-HZPDHXFCSA-N 2 2 313.445 3.454 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cs1 ZINC000427118118 433653648 /nfs/dbraw/zinc/65/36/48/433653648.db2.gz SWWUHBXGEXIFSN-FZMZJTMJSA-N 2 2 305.472 3.055 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cs1 ZINC000427118118 433653657 /nfs/dbraw/zinc/65/36/57/433653657.db2.gz SWWUHBXGEXIFSN-FZMZJTMJSA-N 2 2 305.472 3.055 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cs1 ZINC000427118120 433654776 /nfs/dbraw/zinc/65/47/76/433654776.db2.gz SWWUHBXGEXIFSN-SMDDNHRTSA-N 2 2 305.472 3.055 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)cs1 ZINC000427118120 433654785 /nfs/dbraw/zinc/65/47/85/433654785.db2.gz SWWUHBXGEXIFSN-SMDDNHRTSA-N 2 2 305.472 3.055 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427117520 433656138 /nfs/dbraw/zinc/65/61/38/433656138.db2.gz MPOUDJHDJMVZSR-PKOBYXMFSA-N 2 2 311.404 3.072 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427117520 433656152 /nfs/dbraw/zinc/65/61/52/433656152.db2.gz MPOUDJHDJMVZSR-PKOBYXMFSA-N 2 2 311.404 3.072 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376080305 433659824 /nfs/dbraw/zinc/65/98/24/433659824.db2.gz IUUFDOWYOLEAOD-FGTMMUONSA-N 2 2 318.509 3.300 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376080305 433659831 /nfs/dbraw/zinc/65/98/31/433659831.db2.gz IUUFDOWYOLEAOD-FGTMMUONSA-N 2 2 318.509 3.300 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)sc1Br ZINC000427140771 433660262 /nfs/dbraw/zinc/66/02/62/433660262.db2.gz UYYYFZLEWDHGFU-JQWIXIFHSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)sc1Br ZINC000427140771 433660274 /nfs/dbraw/zinc/66/02/74/433660274.db2.gz UYYYFZLEWDHGFU-JQWIXIFHSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301665810 433664348 /nfs/dbraw/zinc/66/43/48/433664348.db2.gz BZZFZDTVKXOTEX-LJQANCHMSA-N 2 2 324.472 3.360 20 0 DGADLP Cc1nc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301665810 433664358 /nfs/dbraw/zinc/66/43/58/433664358.db2.gz BZZFZDTVKXOTEX-LJQANCHMSA-N 2 2 324.472 3.360 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026863 433676079 /nfs/dbraw/zinc/67/60/79/433676079.db2.gz GZOIXRYLWOESLQ-NVXWUHKLSA-N 2 2 304.482 3.303 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026863 433676087 /nfs/dbraw/zinc/67/60/87/433676087.db2.gz GZOIXRYLWOESLQ-NVXWUHKLSA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026863 433676097 /nfs/dbraw/zinc/67/60/97/433676097.db2.gz GZOIXRYLWOESLQ-NVXWUHKLSA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026863 433676108 /nfs/dbraw/zinc/67/61/08/433676108.db2.gz GZOIXRYLWOESLQ-NVXWUHKLSA-N 2 2 304.482 3.303 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026864 433679163 /nfs/dbraw/zinc/67/91/63/433679163.db2.gz GZOIXRYLWOESLQ-RDJZCZTQSA-N 2 2 304.482 3.303 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026864 433679172 /nfs/dbraw/zinc/67/91/72/433679172.db2.gz GZOIXRYLWOESLQ-RDJZCZTQSA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026864 433679186 /nfs/dbraw/zinc/67/91/86/433679186.db2.gz GZOIXRYLWOESLQ-RDJZCZTQSA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026864 433679194 /nfs/dbraw/zinc/67/91/94/433679194.db2.gz GZOIXRYLWOESLQ-RDJZCZTQSA-N 2 2 304.482 3.303 20 0 DGADLP Cc1nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c(C)[nH+]1 ZINC000301687289 433679942 /nfs/dbraw/zinc/67/99/42/433679942.db2.gz MFIIAJUSLZBLOM-SFHVURJKSA-N 2 2 316.493 3.350 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCC[C@H]3F)sc2C1 ZINC000414514341 433680096 /nfs/dbraw/zinc/68/00/96/433680096.db2.gz RJBJNLRIYUIYAL-CHWSQXEVSA-N 2 2 311.470 3.280 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCC[C@H]3F)sc2C1 ZINC000414514341 433680105 /nfs/dbraw/zinc/68/01/05/433680105.db2.gz RJBJNLRIYUIYAL-CHWSQXEVSA-N 2 2 311.470 3.280 20 0 DGADLP C[N@@H+](Cc1ccncc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449024733 433681351 /nfs/dbraw/zinc/68/13/51/433681351.db2.gz DILVNLPZVUXVTD-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccncc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449024733 433681361 /nfs/dbraw/zinc/68/13/61/433681361.db2.gz DILVNLPZVUXVTD-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccncc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449024733 433681369 /nfs/dbraw/zinc/68/13/69/433681369.db2.gz DILVNLPZVUXVTD-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccncc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449024733 433681376 /nfs/dbraw/zinc/68/13/76/433681376.db2.gz DILVNLPZVUXVTD-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP Cc1cc[nH+]c(N2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000301702081 433686828 /nfs/dbraw/zinc/68/68/28/433686828.db2.gz GMBXENCYTDBWMY-UHFFFAOYSA-N 2 2 310.426 3.326 20 0 DGADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(C)c(C)[nH+]1 ZINC000301703340 433687645 /nfs/dbraw/zinc/68/76/45/433687645.db2.gz UOFKMBJVPCXPRA-CYBMUJFWSA-N 2 2 310.445 3.261 20 0 DGADLP Cc1nc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c(C)c(C)[nH+]1 ZINC000301703340 433687653 /nfs/dbraw/zinc/68/76/53/433687653.db2.gz UOFKMBJVPCXPRA-CYBMUJFWSA-N 2 2 310.445 3.261 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393646 433689693 /nfs/dbraw/zinc/68/96/93/433689693.db2.gz TVEVSZLEIQBJNQ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393646 433689700 /nfs/dbraw/zinc/68/97/00/433689700.db2.gz TVEVSZLEIQBJNQ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393646 433689707 /nfs/dbraw/zinc/68/97/07/433689707.db2.gz TVEVSZLEIQBJNQ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393646 433689716 /nfs/dbraw/zinc/68/97/16/433689716.db2.gz TVEVSZLEIQBJNQ-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP Cc1cc[nH+]cc1CCCN(CC[NH3+])c1ccc2ccccc2n1 ZINC000414485219 433649482 /nfs/dbraw/zinc/64/94/82/433649482.db2.gz HQRXSSPSTFBVIS-UHFFFAOYSA-N 2 2 320.440 3.336 20 0 DGADLP COCC[C@H](C)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000414484317 433651376 /nfs/dbraw/zinc/65/13/76/433651376.db2.gz PXJBBHRMJKZOLM-LNLFQRSKSA-N 2 2 304.478 3.159 20 0 DGADLP COCC[C@H](C)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000414484317 433651384 /nfs/dbraw/zinc/65/13/84/433651384.db2.gz PXJBBHRMJKZOLM-LNLFQRSKSA-N 2 2 304.478 3.159 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1cncc(F)c1)C1CC1)CCC2 ZINC000367085168 293023689 /nfs/dbraw/zinc/02/36/89/293023689.db2.gz DVVBGQLIZRWFTQ-PBHICJAKSA-N 2 2 314.408 3.344 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449038389 433697658 /nfs/dbraw/zinc/69/76/58/433697658.db2.gz UEOQEYBROYIVBZ-QGZVFWFLSA-N 2 2 316.493 3.162 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449038389 433697669 /nfs/dbraw/zinc/69/76/69/433697669.db2.gz UEOQEYBROYIVBZ-QGZVFWFLSA-N 2 2 316.493 3.162 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449038389 433697677 /nfs/dbraw/zinc/69/76/77/433697677.db2.gz UEOQEYBROYIVBZ-QGZVFWFLSA-N 2 2 316.493 3.162 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449038389 433697684 /nfs/dbraw/zinc/69/76/84/433697684.db2.gz UEOQEYBROYIVBZ-QGZVFWFLSA-N 2 2 316.493 3.162 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367435733 293071783 /nfs/dbraw/zinc/07/17/83/293071783.db2.gz CSZLVJREYFTTQB-HNNXBMFYSA-N 2 2 313.445 3.339 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000479848155 293092149 /nfs/dbraw/zinc/09/21/49/293092149.db2.gz FGLOJIHYPBLFGY-RBUKOAKNSA-N 2 2 304.478 3.474 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000368420054 293121829 /nfs/dbraw/zinc/12/18/29/293121829.db2.gz QOXFPTUUVNQGDK-UHFFFAOYSA-N 2 2 318.424 3.499 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368424433 293122820 /nfs/dbraw/zinc/12/28/20/293122820.db2.gz KBVMGDNEXQXXOP-KRWDZBQOSA-N 2 2 302.466 3.174 20 0 DGADLP c1[nH]nc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368424433 293122821 /nfs/dbraw/zinc/12/28/21/293122821.db2.gz KBVMGDNEXQXXOP-KRWDZBQOSA-N 2 2 302.466 3.174 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000370208221 293164065 /nfs/dbraw/zinc/16/40/65/293164065.db2.gz QERHTQKJLPRGJB-IBGZPJMESA-N 2 2 320.440 3.041 20 0 DGADLP Cc1ncsc1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000351758764 433708056 /nfs/dbraw/zinc/70/80/56/433708056.db2.gz QLLCGVQLQSTFNM-UHFFFAOYSA-N 2 2 318.490 3.383 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000373015263 293251029 /nfs/dbraw/zinc/25/10/29/293251029.db2.gz RFUZVGSGMQOXRR-GOSISDBHSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000373015263 293251031 /nfs/dbraw/zinc/25/10/31/293251031.db2.gz RFUZVGSGMQOXRR-GOSISDBHSA-N 2 2 318.509 3.384 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000373262904 293253702 /nfs/dbraw/zinc/25/37/02/293253702.db2.gz BNGXIYIYDLJXHP-HNNXBMFYSA-N 2 2 317.408 3.338 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C[NH+]1CCCC1 ZINC000449088440 433725974 /nfs/dbraw/zinc/72/59/74/433725974.db2.gz IKDQOMKIRXTRLO-BXUZGUMPSA-N 2 2 312.379 3.413 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000356871686 433740382 /nfs/dbraw/zinc/74/03/82/433740382.db2.gz OUIOVBHVVHWDHS-LSDHHAIUSA-N 2 2 322.415 3.196 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421817658 433743411 /nfs/dbraw/zinc/74/34/11/433743411.db2.gz WFZGOCFKIMYOLV-GOSISDBHSA-N 2 2 306.425 3.359 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421817659 433744182 /nfs/dbraw/zinc/74/41/82/433744182.db2.gz WFZGOCFKIMYOLV-SFHVURJKSA-N 2 2 306.425 3.359 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+]1CCCC[C@H]1C ZINC000421820981 433744292 /nfs/dbraw/zinc/74/42/92/433744292.db2.gz OSHAMZKSUCIGHB-JFIYKMOQSA-N 2 2 301.478 3.182 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@H+]1CCCC[C@H]1C ZINC000421820981 433744302 /nfs/dbraw/zinc/74/43/02/433744302.db2.gz OSHAMZKSUCIGHB-JFIYKMOQSA-N 2 2 301.478 3.182 20 0 DGADLP C[C@H](CCCC[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000293454157 433745999 /nfs/dbraw/zinc/74/59/99/433745999.db2.gz PNCNLOXYYAYMRG-CQSZACIVSA-N 2 2 313.401 3.121 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000356885346 433747655 /nfs/dbraw/zinc/74/76/55/433747655.db2.gz XHIDDOHQYPHKQQ-UHOSZYNNSA-N 2 2 302.462 3.228 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427857410 433748434 /nfs/dbraw/zinc/74/84/34/433748434.db2.gz QBTDQTFTJBJSDN-IAGOWNOFSA-N 2 2 301.409 3.194 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C2CCC2)cc1 ZINC000427707727 433749229 /nfs/dbraw/zinc/74/92/29/433749229.db2.gz RVKYSLCUBKCQSV-YLJYHZDGSA-N 2 2 316.489 3.394 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000356892389 433754220 /nfs/dbraw/zinc/75/42/20/433754220.db2.gz JKBUCOMSLMSGMI-CZUORRHYSA-N 2 2 301.459 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000356892389 433754229 /nfs/dbraw/zinc/75/42/29/433754229.db2.gz JKBUCOMSLMSGMI-CZUORRHYSA-N 2 2 301.459 3.240 20 0 DGADLP C[N@H+](CCOC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000376509036 433754715 /nfs/dbraw/zinc/75/47/15/433754715.db2.gz ZBLVCGBTKNHPIL-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP C[N@@H+](CCOC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000376509036 433754728 /nfs/dbraw/zinc/75/47/28/433754728.db2.gz ZBLVCGBTKNHPIL-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)c2nccn21 ZINC000449571125 433756086 /nfs/dbraw/zinc/75/60/86/433756086.db2.gz KQDRUILMOTYICG-PBHICJAKSA-N 2 2 302.466 3.276 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282864 433758283 /nfs/dbraw/zinc/75/82/83/433758283.db2.gz RHSNXESDYVBSCC-UHOSZYNNSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282864 433758291 /nfs/dbraw/zinc/75/82/91/433758291.db2.gz RHSNXESDYVBSCC-UHOSZYNNSA-N 2 2 306.494 3.023 20 0 DGADLP CC(C)c1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301864235 433765336 /nfs/dbraw/zinc/76/53/36/433765336.db2.gz MJOYNOQBVKAZTI-HUUCEWRRSA-N 2 2 320.481 3.245 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)c(F)c1 ZINC000421842666 433766191 /nfs/dbraw/zinc/76/61/91/433766191.db2.gz OJLYELJPGFJFPT-FZKQIMNGSA-N 2 2 317.408 3.333 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449755636 433768872 /nfs/dbraw/zinc/76/88/72/433768872.db2.gz NRASPGIDPGRPDW-QXCFHYIPSA-N 2 2 302.462 3.369 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449755636 433768880 /nfs/dbraw/zinc/76/88/80/433768880.db2.gz NRASPGIDPGRPDW-QXCFHYIPSA-N 2 2 302.462 3.369 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCC2 ZINC000375271133 293505463 /nfs/dbraw/zinc/50/54/63/293505463.db2.gz YHLORXNHDIJUJT-HOTGVXAUSA-N 2 2 303.450 3.047 20 0 DGADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669095 433779541 /nfs/dbraw/zinc/77/95/41/433779541.db2.gz JMODMSRMBUPXAB-SWLSCSKDSA-N 2 2 300.368 3.493 20 0 DGADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669095 433779551 /nfs/dbraw/zinc/77/95/51/433779551.db2.gz JMODMSRMBUPXAB-SWLSCSKDSA-N 2 2 300.368 3.493 20 0 DGADLP c1ccc2[nH+]c(NCCC[N@@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000301890961 433779653 /nfs/dbraw/zinc/77/96/53/433779653.db2.gz RBQNGZTZYDXHRN-UHFFFAOYSA-N 2 2 306.413 3.423 20 0 DGADLP c1ccc2[nH+]c(NCCC[N@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000301890961 433779663 /nfs/dbraw/zinc/77/96/63/433779663.db2.gz RBQNGZTZYDXHRN-UHFFFAOYSA-N 2 2 306.413 3.423 20 0 DGADLP Cc1nocc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000293559550 433783253 /nfs/dbraw/zinc/78/32/53/433783253.db2.gz MAONNOGOIAORID-HUUCEWRRSA-N 2 2 313.445 3.229 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145996 433788816 /nfs/dbraw/zinc/78/88/16/433788816.db2.gz HSLWSWIDCOHZBI-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145996 433788825 /nfs/dbraw/zinc/78/88/25/433788825.db2.gz HSLWSWIDCOHZBI-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145996 433788832 /nfs/dbraw/zinc/78/88/32/433788832.db2.gz HSLWSWIDCOHZBI-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145996 433788839 /nfs/dbraw/zinc/78/88/39/433788839.db2.gz HSLWSWIDCOHZBI-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293602344 433799552 /nfs/dbraw/zinc/79/95/52/433799552.db2.gz JJSQWBKZYWKSQI-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000293602344 433799559 /nfs/dbraw/zinc/79/95/59/433799559.db2.gz JJSQWBKZYWKSQI-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OC ZINC000293602344 433799566 /nfs/dbraw/zinc/79/95/66/433799566.db2.gz JJSQWBKZYWKSQI-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OC ZINC000293602344 433799574 /nfs/dbraw/zinc/79/95/74/433799574.db2.gz JJSQWBKZYWKSQI-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414705331 433801760 /nfs/dbraw/zinc/80/17/60/433801760.db2.gz LJUGYFOEAQDGAC-KRWDZBQOSA-N 3 2 309.542 3.351 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414705331 433801768 /nfs/dbraw/zinc/80/17/68/433801768.db2.gz LJUGYFOEAQDGAC-KRWDZBQOSA-N 3 2 309.542 3.351 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000414706269 433801813 /nfs/dbraw/zinc/80/18/13/433801813.db2.gz LJZSEPPPNNAJQK-UHFFFAOYSA-N 2 2 311.267 3.416 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376758805 433813216 /nfs/dbraw/zinc/81/32/16/433813216.db2.gz REGZQYGRHMKXIO-UHFFFAOYSA-N 2 2 321.371 3.419 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000414765893 433818434 /nfs/dbraw/zinc/81/84/34/433818434.db2.gz GVDPHSDXTWISTH-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000414765893 433818442 /nfs/dbraw/zinc/81/84/42/433818442.db2.gz GVDPHSDXTWISTH-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414838291 433873379 /nfs/dbraw/zinc/87/33/79/433873379.db2.gz VIJTVFXYOZVAPM-YOEHRIQHSA-N 2 2 312.413 3.026 20 0 DGADLP CC(C)N(C)c1ccc(CN2CC[NH2+]Cc3ccccc32)c[nH+]1 ZINC000414840012 433874313 /nfs/dbraw/zinc/87/43/13/433874313.db2.gz GGRSTFDXTDGWBF-UHFFFAOYSA-N 2 2 310.445 3.036 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414838290 433874763 /nfs/dbraw/zinc/87/47/63/433874763.db2.gz VIJTVFXYOZVAPM-WMLDXEAASA-N 2 2 312.413 3.026 20 0 DGADLP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@H]3CCC[NH2+]3)cc2c1 ZINC000414848617 433876497 /nfs/dbraw/zinc/87/64/97/433876497.db2.gz QCSPKMBIJFDQIV-GOSISDBHSA-N 2 2 324.472 3.067 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OCC ZINC000414770555 433826545 /nfs/dbraw/zinc/82/65/45/433826545.db2.gz PALYWUWNCPXSHN-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OCC ZINC000414770555 433826549 /nfs/dbraw/zinc/82/65/49/433826549.db2.gz PALYWUWNCPXSHN-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000343785822 433828982 /nfs/dbraw/zinc/82/89/82/433828982.db2.gz DXHARUJVICEVGE-DYVFJYSZSA-N 2 2 306.413 3.346 20 0 DGADLP C[C@@H](CO)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719251 433834239 /nfs/dbraw/zinc/83/42/39/433834239.db2.gz HUOATPUPOBNRSC-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CO)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719251 433834245 /nfs/dbraw/zinc/83/42/45/433834245.db2.gz HUOATPUPOBNRSC-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000414790348 433840926 /nfs/dbraw/zinc/84/09/26/433840926.db2.gz ABELUCGBLKBOKS-AWEZNQCLSA-N 2 2 313.426 3.383 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000376040931 293605673 /nfs/dbraw/zinc/60/56/73/293605673.db2.gz DDCLQNIXJISIDB-OAHLLOKOSA-N 2 2 308.466 3.133 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344035145 433845770 /nfs/dbraw/zinc/84/57/70/433845770.db2.gz QBUBUEFTCGSJHJ-ZRGWGRIASA-N 2 2 320.452 3.292 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344035145 433845780 /nfs/dbraw/zinc/84/57/80/433845780.db2.gz QBUBUEFTCGSJHJ-ZRGWGRIASA-N 2 2 320.452 3.292 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(F)ccc1Br ZINC000414804471 433850692 /nfs/dbraw/zinc/85/06/92/433850692.db2.gz FDHBBTPETAQQNG-UHFFFAOYSA-N 2 2 303.219 3.195 20 0 DGADLP Cc1ccc(-n2cc(C[NH2+]CC(C)(C)[NH3+])c(C(C)(C)C)n2)cc1 ZINC000414810525 433855543 /nfs/dbraw/zinc/85/55/43/433855543.db2.gz XHTJQFLATIXPTK-UHFFFAOYSA-N 2 2 314.477 3.305 20 0 DGADLP c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338589 433857955 /nfs/dbraw/zinc/85/79/55/433857955.db2.gz ZGINVPPLPGHDRT-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338589 433857964 /nfs/dbraw/zinc/85/79/64/433857964.db2.gz ZGINVPPLPGHDRT-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338589 433857971 /nfs/dbraw/zinc/85/79/71/433857971.db2.gz ZGINVPPLPGHDRT-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338589 433857977 /nfs/dbraw/zinc/85/79/77/433857977.db2.gz ZGINVPPLPGHDRT-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414817532 433860438 /nfs/dbraw/zinc/86/04/38/433860438.db2.gz SKCQWZMFBQJHAE-KRWDZBQOSA-N 2 2 312.461 3.457 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000414821202 433861650 /nfs/dbraw/zinc/86/16/50/433861650.db2.gz BZLNTXUWSFGFIA-SFHVURJKSA-N 2 2 322.456 3.486 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827504 433865384 /nfs/dbraw/zinc/86/53/84/433865384.db2.gz HCOVDEDSBCBCIP-HXUWFJFHSA-N 2 2 320.440 3.279 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@H]4CCOC4)CC3)cc2)c[nH+]1 ZINC000376345573 293642367 /nfs/dbraw/zinc/64/23/67/293642367.db2.gz ATBDCNJBPONSPV-SFHVURJKSA-N 2 2 311.429 3.121 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(OC(F)F)c1 ZINC000414828010 433867835 /nfs/dbraw/zinc/86/78/35/433867835.db2.gz IEWKCOUJZXMHMX-OAHLLOKOSA-N 2 2 322.355 3.086 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000284263531 433871690 /nfs/dbraw/zinc/87/16/90/433871690.db2.gz JBEYVPBARUGNBA-GMXVVIOVSA-N 2 2 309.841 3.019 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000284263531 433871699 /nfs/dbraw/zinc/87/16/99/433871699.db2.gz JBEYVPBARUGNBA-GMXVVIOVSA-N 2 2 309.841 3.019 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc(C)[nH+]c12 ZINC000352090174 433903529 /nfs/dbraw/zinc/90/35/29/433903529.db2.gz WKXXZSSZOAUEOA-YOEHRIQHSA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc(C)[nH+]c12 ZINC000352090174 433903538 /nfs/dbraw/zinc/90/35/38/433903538.db2.gz WKXXZSSZOAUEOA-YOEHRIQHSA-N 2 2 311.429 3.082 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000293862599 433903512 /nfs/dbraw/zinc/90/35/12/433903512.db2.gz DLGHOYQMMBYGSR-CRAIPNDOSA-N 2 2 310.445 3.143 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297292 433906232 /nfs/dbraw/zinc/90/62/32/433906232.db2.gz UCNKVDNZDVGMTK-MSOLQXFVSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297292 433906241 /nfs/dbraw/zinc/90/62/41/433906241.db2.gz UCNKVDNZDVGMTK-MSOLQXFVSA-N 2 2 321.896 3.017 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccccc3F)o2)C[C@@H]1C[NH3+] ZINC000422641621 433935391 /nfs/dbraw/zinc/93/53/91/433935391.db2.gz YCOAFXVYCZWGSX-MCIONIFRSA-N 2 2 317.408 3.286 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@@H]1C[NH3+] ZINC000422641621 433935400 /nfs/dbraw/zinc/93/54/00/433935400.db2.gz YCOAFXVYCZWGSX-MCIONIFRSA-N 2 2 317.408 3.286 20 0 DGADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000414933396 433920060 /nfs/dbraw/zinc/92/00/60/433920060.db2.gz TZUWIZGUSCFGDV-CYBMUJFWSA-N 2 2 304.821 3.356 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(-c2cccs2)n1 ZINC000414925715 433921174 /nfs/dbraw/zinc/92/11/74/433921174.db2.gz JGQGRTUYWSATNI-OAHLLOKOSA-N 2 2 318.490 3.016 20 0 DGADLP C[C@H](C[NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000357246551 433921573 /nfs/dbraw/zinc/92/15/73/433921573.db2.gz XYNROBRKTIVKIN-LLVKDONJSA-N 2 2 300.406 3.144 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(c2cccc(C)[nH+]2)C3)cc1 ZINC000362950563 433921862 /nfs/dbraw/zinc/92/18/62/433921862.db2.gz DYWGPMVRQJOVDP-UHFFFAOYSA-N 2 2 304.397 3.447 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000414950334 433930895 /nfs/dbraw/zinc/93/08/95/433930895.db2.gz OKXKQMRHNITMDM-SKDRFNHKSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000414943622 433931742 /nfs/dbraw/zinc/93/17/42/433931742.db2.gz FPIUKPYRJUPACA-RISCZKNCSA-N 2 2 305.422 3.179 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414955885 433933860 /nfs/dbraw/zinc/93/38/60/433933860.db2.gz UWLGLQCMGJIZIN-PBHICJAKSA-N 3 2 321.896 3.035 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422713400 433944331 /nfs/dbraw/zinc/94/43/31/433944331.db2.gz JQROOMVJGZCMHF-MSOLQXFVSA-N 2 2 315.461 3.175 20 0 DGADLP c1ccc([C@H]2C[C@H]2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000340212740 433992271 /nfs/dbraw/zinc/99/22/71/433992271.db2.gz KLQSHCQTBUFQKS-GHTZIAJQSA-N 2 2 321.468 3.439 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422710952 433946795 /nfs/dbraw/zinc/94/67/95/433946795.db2.gz LZOPPXMDZAFFJU-PBHICJAKSA-N 2 2 318.461 3.247 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422718170 433946996 /nfs/dbraw/zinc/94/69/96/433946996.db2.gz PGAZXEHAJPBRIM-GQWLDOHISA-N 2 2 321.468 3.168 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)nc2c1 ZINC000422711466 433947463 /nfs/dbraw/zinc/94/74/63/433947463.db2.gz GZSXXZCDLKNZGZ-IEBWSBKVSA-N 2 2 320.440 3.226 20 0 DGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000352170117 433954059 /nfs/dbraw/zinc/95/40/59/433954059.db2.gz KVGGENDYHAULPC-INIZCTEOSA-N 2 2 314.433 3.192 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](CC[NH3+])C(F)F ZINC000414986786 433957934 /nfs/dbraw/zinc/95/79/34/433957934.db2.gz HTFHHWUHKLBOQD-JOYOIKCWSA-N 2 2 310.310 3.209 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000294002697 433960796 /nfs/dbraw/zinc/96/07/96/433960796.db2.gz CSJLSMCWUWIXFE-CRAIPNDOSA-N 2 2 317.477 3.223 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)cccc3C)CC2)c1 ZINC000303792061 433961441 /nfs/dbraw/zinc/96/14/41/433961441.db2.gz VBOUXFIQDXZZSA-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422740796 433964640 /nfs/dbraw/zinc/96/46/40/433964640.db2.gz NFJYGZOZLALGAI-QMTHXVAHSA-N 2 2 305.422 3.270 20 0 DGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000422740794 433967324 /nfs/dbraw/zinc/96/73/24/433967324.db2.gz NFJYGZOZLALGAI-HZMBPMFUSA-N 2 2 305.422 3.270 20 0 DGADLP CSc1ccc([C@@H](CNc2cc[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000294039997 433971506 /nfs/dbraw/zinc/97/15/06/433971506.db2.gz LQVIOHXPCWHYTD-OAHLLOKOSA-N 2 2 302.447 3.222 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422750625 433972721 /nfs/dbraw/zinc/97/27/21/433972721.db2.gz AEEHWEBOZZBSLR-VQIMIIECSA-N 2 2 304.478 3.099 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422781487 433992960 /nfs/dbraw/zinc/99/29/60/433992960.db2.gz KTEAAUIGYQPXJJ-WOJBJXKFSA-N 3 2 315.505 3.191 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCc2cccs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422753942 433979424 /nfs/dbraw/zinc/97/94/24/433979424.db2.gz JBGXWWWSUXCDCL-ZWKOTPCHSA-N 2 2 316.470 3.382 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(OCc2ccccn2)c1 ZINC000340197202 433979541 /nfs/dbraw/zinc/97/95/41/433979541.db2.gz TXGPYFMZOWZOAN-CQSZACIVSA-N 2 2 308.385 3.235 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422766188 433981585 /nfs/dbraw/zinc/98/15/85/433981585.db2.gz QXOKLEQGDMLTGP-KBPBESRZSA-N 2 2 315.230 3.338 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422765650 433983515 /nfs/dbraw/zinc/98/35/15/433983515.db2.gz QNKBWVFIVFGQHU-XCDZQEORSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422765650 433983527 /nfs/dbraw/zinc/98/35/27/433983527.db2.gz QNKBWVFIVFGQHU-XCDZQEORSA-N 3 2 321.553 3.253 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1OCCC ZINC000422763285 433984295 /nfs/dbraw/zinc/98/42/95/433984295.db2.gz NCSQWRIFOPVDJM-GOEBONIOSA-N 2 2 306.450 3.277 20 0 DGADLP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000340212742 433989683 /nfs/dbraw/zinc/98/96/83/433989683.db2.gz KLQSHCQTBUFQKS-WIYYLYMNSA-N 2 2 321.468 3.439 20 0 DGADLP CCc1cnc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422782215 433991795 /nfs/dbraw/zinc/99/17/95/433991795.db2.gz FYXXFIRGCFCPOO-ZBFHGGJFSA-N 2 2 301.459 3.288 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422635682 433937264 /nfs/dbraw/zinc/93/72/64/433937264.db2.gz LXNYYZWDQKACSM-MCIONIFRSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422635682 433937272 /nfs/dbraw/zinc/93/72/72/433937272.db2.gz LXNYYZWDQKACSM-MCIONIFRSA-N 2 2 318.440 3.001 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000422705440 433939064 /nfs/dbraw/zinc/93/90/64/433939064.db2.gz CAJPVLCEHCUBJS-YUELXQCFSA-N 2 2 316.367 3.037 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[nH+]c1 ZINC000422706389 433941247 /nfs/dbraw/zinc/94/12/47/433941247.db2.gz UHURMRXXYOROFU-OKZBNKHCSA-N 3 2 316.493 3.174 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340253365 434017553 /nfs/dbraw/zinc/01/75/53/434017553.db2.gz BKVAPYGSQDTHRY-MTQWCTHYSA-N 3 2 315.505 3.284 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340253365 434017559 /nfs/dbraw/zinc/01/75/59/434017559.db2.gz BKVAPYGSQDTHRY-MTQWCTHYSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000340291668 434046643 /nfs/dbraw/zinc/04/66/43/434046643.db2.gz SJJRTOOWHWOANA-IBGZPJMESA-N 3 2 309.542 3.303 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000340291668 434046654 /nfs/dbraw/zinc/04/66/54/434046654.db2.gz SJJRTOOWHWOANA-IBGZPJMESA-N 3 2 309.542 3.303 20 0 DGADLP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363324643 434021749 /nfs/dbraw/zinc/02/17/49/434021749.db2.gz QSQNRUVNFGFNHE-LJQANCHMSA-N 2 2 311.429 3.163 20 0 DGADLP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363324643 434021757 /nfs/dbraw/zinc/02/17/57/434021757.db2.gz QSQNRUVNFGFNHE-LJQANCHMSA-N 2 2 311.429 3.163 20 0 DGADLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)on1 ZINC000363324643 434021763 /nfs/dbraw/zinc/02/17/63/434021763.db2.gz QSQNRUVNFGFNHE-LJQANCHMSA-N 2 2 311.429 3.163 20 0 DGADLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)on1 ZINC000363324643 434021768 /nfs/dbraw/zinc/02/17/68/434021768.db2.gz QSQNRUVNFGFNHE-LJQANCHMSA-N 2 2 311.429 3.163 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000340262933 434022602 /nfs/dbraw/zinc/02/26/02/434022602.db2.gz ZARBMWGNWSGIQB-FYZZASKESA-N 2 2 322.452 3.070 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000340262933 434022618 /nfs/dbraw/zinc/02/26/18/434022618.db2.gz ZARBMWGNWSGIQB-FYZZASKESA-N 2 2 322.452 3.070 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422819495 434026377 /nfs/dbraw/zinc/02/63/77/434026377.db2.gz IMYIHOMZHMWTDI-NUJGCVRESA-N 2 2 320.477 3.139 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000352285193 434027598 /nfs/dbraw/zinc/02/75/98/434027598.db2.gz FAXRTAUUSMZSIJ-BBWFWOEESA-N 2 2 312.461 3.172 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000352285193 434027605 /nfs/dbraw/zinc/02/76/05/434027605.db2.gz FAXRTAUUSMZSIJ-BBWFWOEESA-N 2 2 312.461 3.172 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000422824057 434029753 /nfs/dbraw/zinc/02/97/53/434029753.db2.gz GCIFRFZAFLKURQ-PKOBYXMFSA-N 3 2 303.494 3.239 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281302 434033425 /nfs/dbraw/zinc/03/34/25/434033425.db2.gz OIPJOCKGMGVAMD-JKSUJKDBSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281302 434033431 /nfs/dbraw/zinc/03/34/31/434033431.db2.gz OIPJOCKGMGVAMD-JKSUJKDBSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000340281302 434033436 /nfs/dbraw/zinc/03/34/36/434033436.db2.gz OIPJOCKGMGVAMD-JKSUJKDBSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cscn2)C1 ZINC000340281302 434033442 /nfs/dbraw/zinc/03/34/42/434033442.db2.gz OIPJOCKGMGVAMD-JKSUJKDBSA-N 2 2 307.507 3.272 20 0 DGADLP CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831080 434037587 /nfs/dbraw/zinc/03/75/87/434037587.db2.gz WFJKYRLWTYDWKF-WDSOQIARSA-N 3 2 303.494 3.017 20 0 DGADLP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831080 434037594 /nfs/dbraw/zinc/03/75/94/434037594.db2.gz WFJKYRLWTYDWKF-WDSOQIARSA-N 3 2 303.494 3.017 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000422835804 434042171 /nfs/dbraw/zinc/04/21/71/434042171.db2.gz ZBWXYYHDPDTQFN-CADBVGFASA-N 3 2 309.542 3.253 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841929 434044592 /nfs/dbraw/zinc/04/45/92/434044592.db2.gz XIEAYDDIBTVLFG-SZMVWBNQSA-N 3 2 321.534 3.080 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841929 434044600 /nfs/dbraw/zinc/04/46/00/434044600.db2.gz XIEAYDDIBTVLFG-SZMVWBNQSA-N 3 2 321.534 3.080 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422781480 433993687 /nfs/dbraw/zinc/99/36/87/433993687.db2.gz KTEAAUIGYQPXJJ-PMACEKPBSA-N 3 2 315.505 3.191 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000422778302 433995457 /nfs/dbraw/zinc/99/54/57/433995457.db2.gz HJHALEALYRLAFJ-NQBHXWOUSA-N 2 2 317.260 3.411 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787521 433997482 /nfs/dbraw/zinc/99/74/82/433997482.db2.gz RLATZWDHAOILJQ-FHSNZYRGSA-N 2 2 316.424 3.111 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861186 434060983 /nfs/dbraw/zinc/06/09/83/434060983.db2.gz MMZLVKXYWYMKLZ-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861186 434060986 /nfs/dbraw/zinc/06/09/86/434060986.db2.gz MMZLVKXYWYMKLZ-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414967263 293897997 /nfs/dbraw/zinc/89/79/97/293897997.db2.gz HGEXRTPWPPBTDW-OAHLLOKOSA-N 2 2 301.459 3.288 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422865723 434068306 /nfs/dbraw/zinc/06/83/06/434068306.db2.gz PLRJXIONJJIPAP-HUUCEWRRSA-N 2 2 316.474 3.244 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422869323 434068623 /nfs/dbraw/zinc/06/86/23/434068623.db2.gz XIBZXFRQFAFNSY-KBPBESRZSA-N 2 2 304.331 3.465 20 0 DGADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423204816 293915511 /nfs/dbraw/zinc/91/55/11/293915511.db2.gz OQLGAJSRUMJCIY-ZANVPECISA-N 2 2 315.642 3.041 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OC)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422884189 434083593 /nfs/dbraw/zinc/08/35/93/434083593.db2.gz WLXZHKFQRUZQOS-GJZGRUSLSA-N 2 2 316.367 3.334 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000340356590 434084651 /nfs/dbraw/zinc/08/46/51/434084651.db2.gz QBTNQLSMWKIZDF-ZWKOTPCHSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)C1CC1 ZINC000340356590 434084664 /nfs/dbraw/zinc/08/46/64/434084664.db2.gz QBTNQLSMWKIZDF-ZWKOTPCHSA-N 2 2 302.462 3.054 20 0 DGADLP COc1cc(Cl)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422887867 434088196 /nfs/dbraw/zinc/08/81/96/434088196.db2.gz LPAMUKBXNIMKBM-GUYCJALGSA-N 2 2 318.848 3.397 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422886928 434089202 /nfs/dbraw/zinc/08/92/02/434089202.db2.gz AARFDGCELSZKGR-FMKPAKJESA-N 2 2 306.450 3.275 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422896461 434091297 /nfs/dbraw/zinc/09/12/97/434091297.db2.gz IHZOWEHNYHUFQR-INIZCTEOSA-N 3 2 324.472 3.118 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCC3)CCO1 ZINC000340377617 434092295 /nfs/dbraw/zinc/09/22/95/434092295.db2.gz LXZZSHNYNXASHD-BHYGNILZSA-N 2 2 303.450 3.343 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422899473 434096405 /nfs/dbraw/zinc/09/64/05/434096405.db2.gz OPYJAQHVSCCDHG-PMACEKPBSA-N 3 2 315.505 3.209 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422901697 434097685 /nfs/dbraw/zinc/09/76/85/434097685.db2.gz LPILPYJSYHMAIH-DYVFJYSZSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000305126774 434047407 /nfs/dbraw/zinc/04/74/07/434047407.db2.gz LMNHLDCCUXIPDP-DOMZBBRYSA-N 2 2 322.449 3.127 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450251090 434058038 /nfs/dbraw/zinc/05/80/38/434058038.db2.gz QWVDLHFMCOWVNK-NSHDSACASA-N 2 2 320.318 3.373 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309811162 434102207 /nfs/dbraw/zinc/10/22/07/434102207.db2.gz MVTMOMVHMHADDK-MRXNPFEDSA-N 2 2 306.413 3.497 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309811162 434102215 /nfs/dbraw/zinc/10/22/15/434102215.db2.gz MVTMOMVHMHADDK-MRXNPFEDSA-N 2 2 306.413 3.497 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422917362 434106162 /nfs/dbraw/zinc/10/61/62/434106162.db2.gz DKBGUPHEZLZUEY-KURKYZTESA-N 2 2 300.377 3.248 20 0 DGADLP C[N@H+](C1c2ccccc2-c2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646952 434110688 /nfs/dbraw/zinc/11/06/88/434110688.db2.gz JJLXZGAZVZDCKI-UHFFFAOYSA-N 2 2 322.452 3.145 20 0 DGADLP C[N@@H+](C1c2ccccc2-c2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646952 434110701 /nfs/dbraw/zinc/11/07/01/434110701.db2.gz JJLXZGAZVZDCKI-UHFFFAOYSA-N 2 2 322.452 3.145 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000340401537 434111095 /nfs/dbraw/zinc/11/10/95/434111095.db2.gz ULYYGABPPDBECJ-QAPCUYQASA-N 2 2 317.477 3.223 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422930031 434116002 /nfs/dbraw/zinc/11/60/02/434116002.db2.gz AUBKFTRVJOSSMJ-HDMKZQKVSA-N 2 2 317.477 3.291 20 0 DGADLP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1C1CC1 ZINC000422932971 434117657 /nfs/dbraw/zinc/11/76/57/434117657.db2.gz CWOITPIHRUYKIY-QLFBSQMISA-N 2 2 305.491 3.421 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(C)C ZINC000340419820 434118102 /nfs/dbraw/zinc/11/81/02/434118102.db2.gz XHMKJENZDHIGLU-IRXDYDNUSA-N 2 2 318.461 3.199 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(C)C ZINC000340419820 434118112 /nfs/dbraw/zinc/11/81/12/434118112.db2.gz XHMKJENZDHIGLU-IRXDYDNUSA-N 2 2 318.461 3.199 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000497128927 294005352 /nfs/dbraw/zinc/00/53/52/294005352.db2.gz MLMPVTKDTORPFE-QISBLDNZSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000497128927 294005354 /nfs/dbraw/zinc/00/53/54/294005354.db2.gz MLMPVTKDTORPFE-QISBLDNZSA-N 2 2 322.880 3.488 20 0 DGADLP Cc1nc(C[NH+]2CCC([NH3+])CC2)sc1Cc1ccccc1F ZINC000416402751 434122138 /nfs/dbraw/zinc/12/21/38/434122138.db2.gz PNTILYQAEULSSI-UHFFFAOYSA-N 2 2 319.449 3.105 20 0 DGADLP C[C@H]([NH2+]C1(c2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422939527 434122481 /nfs/dbraw/zinc/12/24/81/434122481.db2.gz GANFJARJFIMYPQ-SMDDNHRTSA-N 2 2 309.251 3.168 20 0 DGADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936490 434124420 /nfs/dbraw/zinc/12/44/20/434124420.db2.gz IJEAJBISNRXVJS-PBHICJAKSA-N 2 2 318.461 3.247 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1sccc1Br ZINC000422945969 434127908 /nfs/dbraw/zinc/12/79/08/434127908.db2.gz NZWMHHMXWNCKNB-WDEREUQCSA-N 2 2 303.269 3.260 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000502484275 294166744 /nfs/dbraw/zinc/16/67/44/294166744.db2.gz XLSCDFDNKWIYOD-ULQDDVLXSA-N 2 2 306.498 3.280 20 0 DGADLP C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000507395506 294296901 /nfs/dbraw/zinc/29/69/01/294296901.db2.gz AHYKTNGDPSCFKK-OALUTQOASA-N 2 2 315.505 3.367 20 0 DGADLP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709567 294330859 /nfs/dbraw/zinc/33/08/59/294330859.db2.gz HYLUOOQBPWTTCJ-QUCCMNQESA-N 3 2 317.521 3.219 20 0 DGADLP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709567 294330860 /nfs/dbraw/zinc/33/08/60/294330860.db2.gz HYLUOOQBPWTTCJ-QUCCMNQESA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709567 294330861 /nfs/dbraw/zinc/33/08/61/294330861.db2.gz HYLUOOQBPWTTCJ-QUCCMNQESA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709567 294330863 /nfs/dbraw/zinc/33/08/63/294330863.db2.gz HYLUOOQBPWTTCJ-QUCCMNQESA-N 3 2 317.521 3.219 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508860433 294334780 /nfs/dbraw/zinc/33/47/80/294334780.db2.gz ODGVBNFJOIISMN-CQSZACIVSA-N 2 2 308.853 3.209 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508860433 294334782 /nfs/dbraw/zinc/33/47/82/294334782.db2.gz ODGVBNFJOIISMN-CQSZACIVSA-N 2 2 308.853 3.209 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000508860433 294334786 /nfs/dbraw/zinc/33/47/86/294334786.db2.gz ODGVBNFJOIISMN-CQSZACIVSA-N 2 2 308.853 3.209 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000508860433 294334789 /nfs/dbraw/zinc/33/47/89/294334789.db2.gz ODGVBNFJOIISMN-CQSZACIVSA-N 2 2 308.853 3.209 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000509375553 294349221 /nfs/dbraw/zinc/34/92/21/294349221.db2.gz XHDDGUKOINKQOM-KRWDZBQOSA-N 2 2 303.494 3.223 20 0 DGADLP CC[C@@H]([NH2+]Cc1sccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422947181 434131635 /nfs/dbraw/zinc/13/16/35/434131635.db2.gz PYPICPZVNQCYHT-MNOVXSKESA-N 2 2 303.269 3.131 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000510616911 294387758 /nfs/dbraw/zinc/38/77/58/294387758.db2.gz IAIHXNLMVQNWFM-RBUKOAKNSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000510616911 294387760 /nfs/dbraw/zinc/38/77/60/294387760.db2.gz IAIHXNLMVQNWFM-RBUKOAKNSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000510616911 294387761 /nfs/dbraw/zinc/38/77/61/294387761.db2.gz IAIHXNLMVQNWFM-RBUKOAKNSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000510616911 294387763 /nfs/dbraw/zinc/38/77/63/294387763.db2.gz IAIHXNLMVQNWFM-RBUKOAKNSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]2CCC[C@@H]21 ZINC000510616909 294387830 /nfs/dbraw/zinc/38/78/30/294387830.db2.gz IAIHXNLMVQNWFM-OALUTQOASA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]2CCC[C@@H]21 ZINC000510616909 294387834 /nfs/dbraw/zinc/38/78/34/294387834.db2.gz IAIHXNLMVQNWFM-OALUTQOASA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000510616909 294387836 /nfs/dbraw/zinc/38/78/36/294387836.db2.gz IAIHXNLMVQNWFM-OALUTQOASA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000510616909 294387839 /nfs/dbraw/zinc/38/78/39/294387839.db2.gz IAIHXNLMVQNWFM-OALUTQOASA-N 2 2 316.489 3.398 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCOC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000353449073 434143725 /nfs/dbraw/zinc/14/37/25/434143725.db2.gz MKEBNWDMDNZSEH-FQEVSTJZSA-N 2 2 310.441 3.266 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCOC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000353449073 434143733 /nfs/dbraw/zinc/14/37/33/434143733.db2.gz MKEBNWDMDNZSEH-FQEVSTJZSA-N 2 2 310.441 3.266 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422977651 434148540 /nfs/dbraw/zinc/14/85/40/434148540.db2.gz XAWVDDOCIKXYQO-IRXDYDNUSA-N 2 2 303.450 3.023 20 0 DGADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccn1 ZINC000422973797 434148641 /nfs/dbraw/zinc/14/86/41/434148641.db2.gz CUMUNURAXAWVHS-HLLBOEOZSA-N 2 2 305.466 3.125 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccncc2F)[C@H](C)C1 ZINC000340475993 434154216 /nfs/dbraw/zinc/15/42/16/434154216.db2.gz DSOOYSYTGGDIPU-RKVPGOIHSA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccncc2F)[C@H](C)C1 ZINC000340475993 434154223 /nfs/dbraw/zinc/15/42/23/434154223.db2.gz DSOOYSYTGGDIPU-RKVPGOIHSA-N 2 2 323.456 3.008 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423005793 434161298 /nfs/dbraw/zinc/16/12/98/434161298.db2.gz SUMZIRUUVFWPNX-LLVKDONJSA-N 2 2 305.809 3.397 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423027037 434171028 /nfs/dbraw/zinc/17/10/28/434171028.db2.gz CSCOUPPGMVSLLX-LEDLJOFTSA-N 2 2 320.452 3.209 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000340506225 434173361 /nfs/dbraw/zinc/17/33/61/434173361.db2.gz DNDCJLFRNRNQIE-APWZRJJASA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000340506225 434173385 /nfs/dbraw/zinc/17/33/85/434173385.db2.gz DNDCJLFRNRNQIE-APWZRJJASA-N 2 2 300.446 3.376 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccccc1Cl)CC2 ZINC000378426370 434177489 /nfs/dbraw/zinc/17/74/89/434177489.db2.gz HGMCNIDEHHGLJB-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](CCOc1ccccc1Cl)CC2 ZINC000378426370 434177494 /nfs/dbraw/zinc/17/74/94/434177494.db2.gz HGMCNIDEHHGLJB-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP Clc1ccc2[nH+]c(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000316017298 434182265 /nfs/dbraw/zinc/18/22/65/434182265.db2.gz GEZSWZFBLUOTNV-CVEARBPZSA-N 2 2 318.852 3.094 20 0 DGADLP Clc1ccccc1O[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000378443539 434182708 /nfs/dbraw/zinc/18/27/08/434182708.db2.gz STLRBPDCLKPXOT-HNNXBMFYSA-N 2 2 319.836 3.470 20 0 DGADLP Clc1ccccc1O[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000378443539 434182714 /nfs/dbraw/zinc/18/27/14/434182714.db2.gz STLRBPDCLKPXOT-HNNXBMFYSA-N 2 2 319.836 3.470 20 0 DGADLP COC(=O)c1csc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000286174634 434186769 /nfs/dbraw/zinc/18/67/69/434186769.db2.gz QATIGDHFRAPZGD-GFCCVEGCSA-N 2 2 304.415 3.131 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](OC(C)C)c1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423053174 434190978 /nfs/dbraw/zinc/19/09/78/434190978.db2.gz RFDOXANREJIEGI-ZIFCJYIRSA-N 2 2 320.477 3.282 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423052808 434194048 /nfs/dbraw/zinc/19/40/48/434194048.db2.gz RFOFGUDWGJNQTQ-MEBBXXQBSA-N 2 2 322.250 3.018 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)CC2 ZINC000423058776 434197121 /nfs/dbraw/zinc/19/71/21/434197121.db2.gz DBSXHNJIDQBLRM-BJZITVGISA-N 2 2 302.462 3.154 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522005 434197997 /nfs/dbraw/zinc/19/79/97/434197997.db2.gz RIINUZZWPFDBGK-VHBXLISGSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522005 434198002 /nfs/dbraw/zinc/19/80/02/434198002.db2.gz RIINUZZWPFDBGK-VHBXLISGSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000437008457 434202787 /nfs/dbraw/zinc/20/27/87/434202787.db2.gz RQRHRKLZWBVZCA-MSOLQXFVSA-N 2 2 313.445 3.029 20 0 DGADLP COc1ccc(C[NH+](C)C)cc1NCc1c[nH+]cn1C(C)C ZINC000317679431 434206305 /nfs/dbraw/zinc/20/63/05/434206305.db2.gz HGSAFFULYAFBHC-UHFFFAOYSA-N 2 2 302.422 3.146 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[nH]1 ZINC000423079074 434206733 /nfs/dbraw/zinc/20/67/33/434206733.db2.gz PYCSUQUCGKKLNW-LJISPDSOSA-N 2 2 307.486 3.280 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000346229271 434221050 /nfs/dbraw/zinc/22/10/50/434221050.db2.gz LTOCIMYHPJAEIG-QFBILLFUSA-N 2 2 311.429 3.264 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423089840 434212257 /nfs/dbraw/zinc/21/22/57/434212257.db2.gz TVMNQWMSLUOKHF-PKOBYXMFSA-N 2 2 316.489 3.082 20 0 DGADLP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092452 434215076 /nfs/dbraw/zinc/21/50/76/434215076.db2.gz BXYHTGPZTWDCAY-UAFMIMERSA-N 3 2 319.537 3.294 20 0 DGADLP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092452 434215089 /nfs/dbraw/zinc/21/50/89/434215089.db2.gz BXYHTGPZTWDCAY-UAFMIMERSA-N 3 2 319.537 3.294 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000346232767 434219245 /nfs/dbraw/zinc/21/92/45/434219245.db2.gz YRZFZADCMCUWLN-AWEZNQCLSA-N 2 2 303.431 3.315 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000346232767 434219249 /nfs/dbraw/zinc/21/92/49/434219249.db2.gz YRZFZADCMCUWLN-AWEZNQCLSA-N 2 2 303.431 3.315 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423100375 434219185 /nfs/dbraw/zinc/21/91/85/434219185.db2.gz BOGMHNPSWJYDMS-JLSDUUJJSA-N 2 2 324.896 3.436 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423013318 434167591 /nfs/dbraw/zinc/16/75/91/434167591.db2.gz FNMHXLHUGKMGSM-ZWMNYZCKSA-N 2 2 312.816 3.039 20 0 DGADLP C[C@H](NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000423143988 434243873 /nfs/dbraw/zinc/24/38/73/434243873.db2.gz FVUZDXOMKBPVRF-XJKSGUPXSA-N 2 2 318.852 3.146 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccn(-c3ccccc3)n1)CCC2 ZINC000364145232 434244949 /nfs/dbraw/zinc/24/49/49/434244949.db2.gz XIXOZCSFTHNWAV-INIZCTEOSA-N 2 2 321.428 3.044 20 0 DGADLP [NH3+]CC1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000423146199 434247408 /nfs/dbraw/zinc/24/74/08/434247408.db2.gz ONCGJGGWNRWVRS-UHFFFAOYSA-N 3 2 318.852 3.133 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000320941391 434247545 /nfs/dbraw/zinc/24/75/45/434247545.db2.gz ZDCKHACEFXYNAI-WOJBJXKFSA-N 2 2 315.505 3.143 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000320941391 434247550 /nfs/dbraw/zinc/24/75/50/434247550.db2.gz ZDCKHACEFXYNAI-WOJBJXKFSA-N 2 2 315.505 3.143 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)OC ZINC000423150157 434247605 /nfs/dbraw/zinc/24/76/05/434247605.db2.gz BDBKKVGGOFNKSC-UDTPNQRGSA-N 2 2 320.477 3.139 20 0 DGADLP CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000321396350 434249771 /nfs/dbraw/zinc/24/97/71/434249771.db2.gz PGTXGEAMSOLTJX-RTBURBONSA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000321396350 434249782 /nfs/dbraw/zinc/24/97/82/434249782.db2.gz PGTXGEAMSOLTJX-RTBURBONSA-N 2 2 318.461 3.071 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)OC ZINC000423150159 434249647 /nfs/dbraw/zinc/24/96/47/434249647.db2.gz BDBKKVGGOFNKSC-VLQPXKRTSA-N 2 2 320.477 3.139 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423156776 434250873 /nfs/dbraw/zinc/25/08/73/434250873.db2.gz LMINEJGUOYWPBF-QADGWQRPSA-N 2 2 309.251 3.050 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000423155696 434251544 /nfs/dbraw/zinc/25/15/44/434251544.db2.gz JXEWAEBEYNYJLB-UONOGXRCSA-N 2 2 307.319 3.335 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181892 434251846 /nfs/dbraw/zinc/25/18/46/434251846.db2.gz SDIWWWXZGGCTKY-NEWSRXKRSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181892 434251854 /nfs/dbraw/zinc/25/18/54/434251854.db2.gz SDIWWWXZGGCTKY-NEWSRXKRSA-N 2 2 324.472 3.391 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423191241 434276241 /nfs/dbraw/zinc/27/62/41/434276241.db2.gz OUBNTBFKWBZHKX-DOTOQJQBSA-N 2 2 312.461 3.200 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346700298 434259406 /nfs/dbraw/zinc/25/94/06/434259406.db2.gz GJQHENZAOAEFIV-OGWHTMIXSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346700298 434259416 /nfs/dbraw/zinc/25/94/16/434259416.db2.gz GJQHENZAOAEFIV-OGWHTMIXSA-N 2 2 304.478 3.036 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)[C@@H](C)C1 ZINC000353599665 434261015 /nfs/dbraw/zinc/26/10/15/434261015.db2.gz XFHSDQOCEQZEDH-SNRMKQJTSA-N 2 2 314.473 3.010 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)[C@@H](C)C1 ZINC000353599665 434261022 /nfs/dbraw/zinc/26/10/22/434261022.db2.gz XFHSDQOCEQZEDH-SNRMKQJTSA-N 2 2 314.473 3.010 20 0 DGADLP CSCc1cnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000295239670 434270709 /nfs/dbraw/zinc/27/07/09/434270709.db2.gz DRHJCNOOKYAXSR-NSHDSACASA-N 2 2 308.476 3.109 20 0 DGADLP CSCc1cnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000295239670 434270721 /nfs/dbraw/zinc/27/07/21/434270721.db2.gz DRHJCNOOKYAXSR-NSHDSACASA-N 2 2 308.476 3.109 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000423196364 434274910 /nfs/dbraw/zinc/27/49/10/434274910.db2.gz ZSEXDXZOAUUGCW-TVQRCGJNSA-N 2 2 317.658 3.333 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423192906 434275566 /nfs/dbraw/zinc/27/55/66/434275566.db2.gz QEQSZSHETSNXKS-ICSRJNTNSA-N 2 2 310.441 3.321 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000353554718 434227174 /nfs/dbraw/zinc/22/71/74/434227174.db2.gz LIYBGEIBVGNCBO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000353554718 434227178 /nfs/dbraw/zinc/22/71/78/434227178.db2.gz LIYBGEIBVGNCBO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000353554718 434227185 /nfs/dbraw/zinc/22/71/85/434227185.db2.gz LIYBGEIBVGNCBO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000353554718 434227190 /nfs/dbraw/zinc/22/71/90/434227190.db2.gz LIYBGEIBVGNCBO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423114038 434227495 /nfs/dbraw/zinc/22/74/95/434227495.db2.gz ZUBARICSIZLEAY-IRXDYDNUSA-N 2 2 305.441 3.176 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCSC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423118928 434228448 /nfs/dbraw/zinc/22/84/48/434228448.db2.gz CSADQRYWOOLCIJ-QGTPRVQTSA-N 2 2 320.502 3.221 20 0 DGADLP COC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000319915051 434230602 /nfs/dbraw/zinc/23/06/02/434230602.db2.gz UCZRDNPNNNUCPM-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000319915051 434230607 /nfs/dbraw/zinc/23/06/07/434230607.db2.gz UCZRDNPNNNUCPM-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000450502604 434231245 /nfs/dbraw/zinc/23/12/45/434231245.db2.gz UWPPHZMTJSGYJZ-OAHLLOKOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000450502604 434231253 /nfs/dbraw/zinc/23/12/53/434231253.db2.gz UWPPHZMTJSGYJZ-OAHLLOKOSA-N 2 2 318.804 3.397 20 0 DGADLP CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423121332 434232753 /nfs/dbraw/zinc/23/27/53/434232753.db2.gz AVBVWNYHKUCLMY-JSGCOSHPSA-N 2 2 309.251 3.024 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423121316 434233900 /nfs/dbraw/zinc/23/39/00/434233900.db2.gz ATNIDVVASPUBNR-JKSUJKDBSA-N 2 2 310.388 3.123 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423197361 434279544 /nfs/dbraw/zinc/27/95/44/434279544.db2.gz ZCLDVJSNCSPSQX-JSGCOSHPSA-N 2 2 302.340 3.378 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423197360 434281485 /nfs/dbraw/zinc/28/14/85/434281485.db2.gz ZCLDVJSNCSPSQX-GXTWGEPZSA-N 2 2 302.340 3.378 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c[nH+]1 ZINC000353624756 434281453 /nfs/dbraw/zinc/28/14/53/434281453.db2.gz OBHQRHUORHAYBH-MRXNPFEDSA-N 2 2 304.434 3.129 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c[nH+]1 ZINC000353624756 434281468 /nfs/dbraw/zinc/28/14/68/434281468.db2.gz OBHQRHUORHAYBH-MRXNPFEDSA-N 2 2 304.434 3.129 20 0 DGADLP C[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423223955 434294136 /nfs/dbraw/zinc/29/41/36/434294136.db2.gz IBPNWGCDVKBWQP-AWEZNQCLSA-N 2 2 317.458 3.005 20 0 DGADLP FC(F)(F)Oc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231869 434298992 /nfs/dbraw/zinc/29/89/92/434298992.db2.gz HFYXXPIIJIPENV-HIFRSBDPSA-N 2 2 314.351 3.378 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000423229067 434299502 /nfs/dbraw/zinc/29/95/02/434299502.db2.gz AEKBNLCSMWQIQD-WCQYABFASA-N 2 2 300.418 3.446 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000423231591 434300972 /nfs/dbraw/zinc/30/09/72/434300972.db2.gz GYUULQBGJVPQCZ-ZBFHGGJFSA-N 2 2 306.450 3.277 20 0 DGADLP Brc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423231331 434301840 /nfs/dbraw/zinc/30/18/40/434301840.db2.gz GITGQMONLKLJRB-IAQYHMDHSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)[C@H](NC(=O)CC[C@@H]([NH3+])CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000516925912 294640286 /nfs/dbraw/zinc/64/02/86/294640286.db2.gz MWTFIBICFZEUJS-WBVHZDCISA-N 2 2 320.481 3.301 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C)cc1 ZINC000423235310 434304427 /nfs/dbraw/zinc/30/44/27/434304427.db2.gz QUQGWXVZAZBUBM-GOSISDBHSA-N 2 2 310.445 3.363 20 0 DGADLP CC[NH2+]CC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423240518 434305453 /nfs/dbraw/zinc/30/54/53/434305453.db2.gz HIDRMHFIEOIZEE-LBPRGKRZSA-N 2 2 315.280 3.185 20 0 DGADLP Brc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)s1 ZINC000423239093 434306767 /nfs/dbraw/zinc/30/67/67/434306767.db2.gz RUTFUCNNLNWZOF-GWCFXTLKSA-N 2 2 315.280 3.303 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423241428 434308185 /nfs/dbraw/zinc/30/81/85/434308185.db2.gz IEEDLSZNOHBTMV-GOSISDBHSA-N 2 2 304.384 3.448 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423241429 434308215 /nfs/dbraw/zinc/30/82/15/434308215.db2.gz IEEDLSZNOHBTMV-SFHVURJKSA-N 2 2 304.384 3.448 20 0 DGADLP CCOC(=O)C[N@H+](CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000353653749 434309777 /nfs/dbraw/zinc/30/97/77/434309777.db2.gz UDYYHYOBERLMEC-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP CCOC(=O)C[N@@H+](CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000353653749 434309783 /nfs/dbraw/zinc/30/97/83/434309783.db2.gz UDYYHYOBERLMEC-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Br)C[NH+](C)C ZINC000386480958 434311521 /nfs/dbraw/zinc/31/15/21/434311521.db2.gz IHCKKMMGGCAEAQ-MNOVXSKESA-N 2 2 317.246 3.437 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)[C@@H](C)O1 ZINC000386690601 434313040 /nfs/dbraw/zinc/31/30/40/434313040.db2.gz KIBMBPGLGYNIMJ-NUJGCVRESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)[C@@H](C)O1 ZINC000386690601 434313050 /nfs/dbraw/zinc/31/30/50/434313050.db2.gz KIBMBPGLGYNIMJ-NUJGCVRESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423253254 434313717 /nfs/dbraw/zinc/31/37/17/434313717.db2.gz YWAMPPAQFBXFLG-HNAYVOBHSA-N 2 2 323.440 3.164 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423249814 434315015 /nfs/dbraw/zinc/31/50/15/434315015.db2.gz UFKRVCLVKIKLNN-BEFAXECRSA-N 2 2 314.429 3.062 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423251320 434315919 /nfs/dbraw/zinc/31/59/19/434315919.db2.gz VXVRBOBJTZNCLQ-ZBFHGGJFSA-N 2 2 324.440 3.034 20 0 DGADLP C[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000287264477 434316616 /nfs/dbraw/zinc/31/66/16/434316616.db2.gz CEHHPCFDNLKLLW-OAHLLOKOSA-N 2 2 317.260 3.101 20 0 DGADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1Cl ZINC000450645556 434316987 /nfs/dbraw/zinc/31/69/87/434316987.db2.gz OYSCOJILPQZLPG-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1Cl ZINC000450645556 434316997 /nfs/dbraw/zinc/31/69/97/434316997.db2.gz OYSCOJILPQZLPG-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000423259399 434317801 /nfs/dbraw/zinc/31/78/01/434317801.db2.gz DQOURTZOROZDTA-RHSMWYFYSA-N 3 2 300.450 3.205 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386924378 434318370 /nfs/dbraw/zinc/31/83/70/434318370.db2.gz RZEVRKIGZDNDMZ-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386924378 434318377 /nfs/dbraw/zinc/31/83/77/434318377.db2.gz RZEVRKIGZDNDMZ-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)c(C)c1OC ZINC000287276515 434319910 /nfs/dbraw/zinc/31/99/10/434319910.db2.gz CRMJNUXIQKGAMH-AWEZNQCLSA-N 2 2 320.477 3.017 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276479 434334516 /nfs/dbraw/zinc/33/45/16/434334516.db2.gz MXLURRZESHOLEP-WBMJQRKESA-N 2 2 315.486 3.430 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000366229259 434368139 /nfs/dbraw/zinc/36/81/39/434368139.db2.gz HRWQCZIEBFLZKS-KXBFYZLASA-N 2 2 307.441 3.463 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000366229259 434368152 /nfs/dbraw/zinc/36/81/52/434368152.db2.gz HRWQCZIEBFLZKS-KXBFYZLASA-N 2 2 307.441 3.463 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423340676 434368621 /nfs/dbraw/zinc/36/86/21/434368621.db2.gz SXLUTKMCJYDAKZ-RDJZCZTQSA-N 2 2 310.869 3.192 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000517932167 294698302 /nfs/dbraw/zinc/69/83/02/294698302.db2.gz FTIAODWKJOIHKC-UKRRQHHQSA-N 2 2 312.417 3.231 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)cc1F ZINC000423341263 434372570 /nfs/dbraw/zinc/37/25/70/434372570.db2.gz XYIVXXGHHPOUHS-SECBINFHSA-N 2 2 301.203 3.120 20 0 DGADLP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000518363636 294715883 /nfs/dbraw/zinc/71/58/83/294715883.db2.gz BGAYXOUCRYWUAG-BDFRZKONSA-N 2 2 304.478 3.209 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358198693 434382560 /nfs/dbraw/zinc/38/25/60/434382560.db2.gz YURYTKCRLOPJNC-AFAVFJNCSA-N 2 2 308.853 3.100 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358198693 434382567 /nfs/dbraw/zinc/38/25/67/434382567.db2.gz YURYTKCRLOPJNC-AFAVFJNCSA-N 2 2 308.853 3.100 20 0 DGADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000423362983 434384121 /nfs/dbraw/zinc/38/41/21/434384121.db2.gz UJFQSGHVTVXGEJ-SUMWQHHRSA-N 2 2 311.385 3.201 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000358214369 434386863 /nfs/dbraw/zinc/38/68/63/434386863.db2.gz CDGOUIXYDAISQG-PBWTXFEYSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000358214369 434386870 /nfs/dbraw/zinc/38/68/70/434386870.db2.gz CDGOUIXYDAISQG-PBWTXFEYSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423372584 434389972 /nfs/dbraw/zinc/38/99/72/434389972.db2.gz RDJMVPUIDGIIIP-ZDMBXUJBSA-N 2 2 315.280 3.169 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423275282 434335574 /nfs/dbraw/zinc/33/55/74/434335574.db2.gz LKWAMUOYFHPGMG-PIGZYNQJSA-N 2 2 318.852 3.222 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423281752 434339841 /nfs/dbraw/zinc/33/98/41/434339841.db2.gz URCLBQUDJSLHFJ-INIZCTEOSA-N 2 2 317.477 3.306 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC(C)(C)[NH3+])cnn1-c1cc(C)ccc1C ZINC000423286348 434340671 /nfs/dbraw/zinc/34/06/71/434340671.db2.gz GRCBUZRBDYTDBP-AWEZNQCLSA-N 2 2 300.450 3.185 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423283906 434341110 /nfs/dbraw/zinc/34/11/10/434341110.db2.gz FVNOUMHQDMDELG-LLVKDONJSA-N 2 2 308.857 3.395 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000389289133 434346957 /nfs/dbraw/zinc/34/69/57/434346957.db2.gz WYMUGPOTSYHVGQ-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000389289133 434346969 /nfs/dbraw/zinc/34/69/69/434346969.db2.gz WYMUGPOTSYHVGQ-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP Cc1ccccc1[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000366162675 434347975 /nfs/dbraw/zinc/34/79/75/434347975.db2.gz IBEFTCWCOLRPQD-PKOBYXMFSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162675 434347982 /nfs/dbraw/zinc/34/79/82/434347982.db2.gz IBEFTCWCOLRPQD-PKOBYXMFSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000366162675 434347993 /nfs/dbraw/zinc/34/79/93/434347993.db2.gz IBEFTCWCOLRPQD-PKOBYXMFSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000366162675 434348004 /nfs/dbraw/zinc/34/80/04/434348004.db2.gz IBEFTCWCOLRPQD-PKOBYXMFSA-N 2 2 302.462 3.243 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423297918 434351623 /nfs/dbraw/zinc/35/16/23/434351623.db2.gz MLTGNZRHCSVRDS-AAEUAGOBSA-N 2 2 308.857 3.395 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871548 434352036 /nfs/dbraw/zinc/35/20/36/434352036.db2.gz PXWDEKCEZCSORD-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871548 434352047 /nfs/dbraw/zinc/35/20/47/434352047.db2.gz PXWDEKCEZCSORD-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423300587 434352049 /nfs/dbraw/zinc/35/20/49/434352049.db2.gz RYRQFPNCLLDDGM-CZUORRHYSA-N 2 2 318.440 3.488 20 0 DGADLP COCC1CCC([NH2+]CCCc2[nH+]c3ccccc3n2C)CC1 ZINC000295411595 434352281 /nfs/dbraw/zinc/35/22/81/434352281.db2.gz NBAHMVBINJCTOF-UHFFFAOYSA-N 2 2 315.461 3.301 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000358150754 434352303 /nfs/dbraw/zinc/35/23/03/434352303.db2.gz GWRWYAPTGRGQLV-YJBOKZPZSA-N 2 2 302.462 3.109 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287402144 434354780 /nfs/dbraw/zinc/35/47/80/434354780.db2.gz QXXLRZWTRRNHMM-QOKNQOGYSA-N 2 2 312.461 3.042 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000423318755 434359023 /nfs/dbraw/zinc/35/90/23/434359023.db2.gz ZIVMASVZIYHMSI-SNVBAGLBSA-N 2 2 303.219 3.238 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(C)n1 ZINC000287415068 434359354 /nfs/dbraw/zinc/35/93/54/434359354.db2.gz RSWNWJMSVVQYJN-YRNRMSPPSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(C)n1 ZINC000287415068 434359368 /nfs/dbraw/zinc/35/93/68/434359368.db2.gz RSWNWJMSVVQYJN-YRNRMSPPSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000366540388 434446689 /nfs/dbraw/zinc/44/66/89/434446689.db2.gz ZOOGDKRULUFYBI-DQPZFDDXSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)CC2)n1 ZINC000366540388 434446703 /nfs/dbraw/zinc/44/67/03/434446703.db2.gz ZOOGDKRULUFYBI-DQPZFDDXSA-N 2 2 318.465 3.011 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423388907 434394830 /nfs/dbraw/zinc/39/48/30/434394830.db2.gz NDBLHUZOGBHOHZ-CXAGYDPISA-N 2 2 303.450 3.074 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353748670 434394817 /nfs/dbraw/zinc/39/48/17/434394817.db2.gz IMIGPOZOXGREAX-LSDHHAIUSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353748670 434394829 /nfs/dbraw/zinc/39/48/29/434394829.db2.gz IMIGPOZOXGREAX-LSDHHAIUSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC000353748670 434394837 /nfs/dbraw/zinc/39/48/37/434394837.db2.gz IMIGPOZOXGREAX-LSDHHAIUSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC000353748670 434394847 /nfs/dbraw/zinc/39/48/47/434394847.db2.gz IMIGPOZOXGREAX-LSDHHAIUSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353748666 434395820 /nfs/dbraw/zinc/39/58/20/434395820.db2.gz IMIGPOZOXGREAX-GJZGRUSLSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353748666 434395829 /nfs/dbraw/zinc/39/58/29/434395829.db2.gz IMIGPOZOXGREAX-GJZGRUSLSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC000353748666 434395840 /nfs/dbraw/zinc/39/58/40/434395840.db2.gz IMIGPOZOXGREAX-GJZGRUSLSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC000353748666 434395848 /nfs/dbraw/zinc/39/58/48/434395848.db2.gz IMIGPOZOXGREAX-GJZGRUSLSA-N 2 2 324.538 3.294 20 0 DGADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000519693429 294786436 /nfs/dbraw/zinc/78/64/36/294786436.db2.gz PSDVBGQNMJKMLP-PMPSAXMXSA-N 2 2 319.497 3.137 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)C1 ZINC000358659534 434402129 /nfs/dbraw/zinc/40/21/29/434402129.db2.gz FMGUCVYYEYDKOK-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)C1 ZINC000358659534 434402135 /nfs/dbraw/zinc/40/21/35/434402135.db2.gz FMGUCVYYEYDKOK-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000394704829 434406350 /nfs/dbraw/zinc/40/63/50/434406350.db2.gz KJQQIZQGMVRTLY-KRWDZBQOSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394704829 434406356 /nfs/dbraw/zinc/40/63/56/434406356.db2.gz KJQQIZQGMVRTLY-KRWDZBQOSA-N 2 2 315.486 3.453 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)C[C@H]1C[NH3+] ZINC000394819882 434408097 /nfs/dbraw/zinc/40/80/97/434408097.db2.gz XDDSYXVIUOOFCW-GHMZBOCLSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Br)C[C@H]1C[NH3+] ZINC000394819882 434408102 /nfs/dbraw/zinc/40/81/02/434408102.db2.gz XDDSYXVIUOOFCW-GHMZBOCLSA-N 2 2 315.230 3.005 20 0 DGADLP Clc1cccc2c(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c12 ZINC000450789762 434408313 /nfs/dbraw/zinc/40/83/13/434408313.db2.gz JRRWOLNDKPYVDL-BETUJISGSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1cccc2c(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c12 ZINC000450789762 434408321 /nfs/dbraw/zinc/40/83/21/434408321.db2.gz JRRWOLNDKPYVDL-BETUJISGSA-N 2 2 317.820 3.163 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CCC[NH2+]1 ZINC000423415491 434412480 /nfs/dbraw/zinc/41/24/80/434412480.db2.gz PCVAYQTYIBYDRY-KSSFIOAISA-N 2 2 302.418 3.160 20 0 DGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423421113 434415974 /nfs/dbraw/zinc/41/59/74/434415974.db2.gz XPBAYGWCAPNNGA-LIRRHRJNSA-N 2 2 316.445 3.414 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423442522 434425555 /nfs/dbraw/zinc/42/55/55/434425555.db2.gz WTHZFXNJJXWBRG-PMACEKPBSA-N 2 2 307.441 3.399 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000450832285 434429905 /nfs/dbraw/zinc/42/99/05/434429905.db2.gz UNJUDBUNFFSBJZ-BFYDXBDKSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000450832285 434429916 /nfs/dbraw/zinc/42/99/16/434429916.db2.gz UNJUDBUNFFSBJZ-BFYDXBDKSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000348641992 434430006 /nfs/dbraw/zinc/43/00/06/434430006.db2.gz MRQVSZWELWMXHQ-GPMSIDNRSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000348641992 434430017 /nfs/dbraw/zinc/43/00/17/434430017.db2.gz MRQVSZWELWMXHQ-GPMSIDNRSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000397302635 434430291 /nfs/dbraw/zinc/43/02/91/434430291.db2.gz LBFXHTSVIBMYBL-KOLCDFICSA-N 2 2 303.269 3.131 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000397371875 434435716 /nfs/dbraw/zinc/43/57/16/434435716.db2.gz BYSYHFRVZBSBGO-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000397371875 434435722 /nfs/dbraw/zinc/43/57/22/434435722.db2.gz BYSYHFRVZBSBGO-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423477398 434442094 /nfs/dbraw/zinc/44/20/94/434442094.db2.gz TYQJPQMEWLYCIW-RISCZKNCSA-N 2 2 306.841 3.222 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(F)cn1 ZINC000287817600 434460291 /nfs/dbraw/zinc/46/02/91/434460291.db2.gz UZPLRPSAYBSFGW-LSDHHAIUSA-N 2 2 323.456 3.248 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(F)cn1 ZINC000287817600 434460302 /nfs/dbraw/zinc/46/03/02/434460302.db2.gz UZPLRPSAYBSFGW-LSDHHAIUSA-N 2 2 323.456 3.248 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423496490 434461638 /nfs/dbraw/zinc/46/16/38/434461638.db2.gz FAGLIUZFGAPUCR-DBVUQKKJSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496490 434461646 /nfs/dbraw/zinc/46/16/46/434461646.db2.gz FAGLIUZFGAPUCR-DBVUQKKJSA-N 3 2 315.505 3.004 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCN(c4ccccc4F)C3)c[nH+]c12 ZINC000366612737 434462113 /nfs/dbraw/zinc/46/21/13/434462113.db2.gz YUEJHHNPCXXTJX-HNNXBMFYSA-N 2 2 324.403 3.150 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cc2c(ccc3ccccc23)o1 ZINC000423511150 434463879 /nfs/dbraw/zinc/46/38/79/434463879.db2.gz JWLCQKINDXEOAW-HOCLYGCPSA-N 2 2 323.440 3.140 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423507415 434464135 /nfs/dbraw/zinc/46/41/35/434464135.db2.gz INQQPXFZGPOVQG-AEGPPILISA-N 2 2 302.443 3.163 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423507416 434467746 /nfs/dbraw/zinc/46/77/46/434467746.db2.gz INQQPXFZGPOVQG-VHDGCEQUSA-N 2 2 302.443 3.163 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995728 434469105 /nfs/dbraw/zinc/46/91/05/434469105.db2.gz DTOQGLXVFBIRLF-HKUYNNGSSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995728 434469112 /nfs/dbraw/zinc/46/91/12/434469112.db2.gz DTOQGLXVFBIRLF-HKUYNNGSSA-N 3 2 315.505 3.143 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000295994357 434470144 /nfs/dbraw/zinc/47/01/44/434470144.db2.gz NXFUVMJTDJQKND-BBRMVZONSA-N 2 2 309.417 3.227 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423514892 434470716 /nfs/dbraw/zinc/47/07/16/434470716.db2.gz XBYMRRXHEBNYGF-AKHDSKFASA-N 2 2 314.473 3.186 20 0 DGADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423515620 434470801 /nfs/dbraw/zinc/47/08/01/434470801.db2.gz FUYIBVUSIUVNHH-WCBMZHEXSA-N 2 2 321.273 3.010 20 0 DGADLP CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423528110 434474905 /nfs/dbraw/zinc/47/49/05/434474905.db2.gz MZMVCHHRCXHZMD-UHOFOFEASA-N 2 2 315.486 3.420 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](CO)C2)C1 ZINC000348758221 434478682 /nfs/dbraw/zinc/47/86/82/434478682.db2.gz ZPTAYNPDFLJJFW-MLYOOKFZSA-N 2 2 316.489 3.210 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](CO)C2)C1 ZINC000348758221 434478691 /nfs/dbraw/zinc/47/86/91/434478691.db2.gz ZPTAYNPDFLJJFW-MLYOOKFZSA-N 2 2 316.489 3.210 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399820089 434483278 /nfs/dbraw/zinc/48/32/78/434483278.db2.gz PGVMYLHBBMGBBV-YLJYHZDGSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000399820089 434483283 /nfs/dbraw/zinc/48/32/83/434483283.db2.gz PGVMYLHBBMGBBV-YLJYHZDGSA-N 2 2 309.457 3.185 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423546406 434485087 /nfs/dbraw/zinc/48/50/87/434485087.db2.gz DEMWUZLKHQLSGC-DZGCQCFKSA-N 2 2 310.397 3.225 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000400515320 434485564 /nfs/dbraw/zinc/48/55/64/434485564.db2.gz BRPISVWDURCJSM-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000400515320 434485574 /nfs/dbraw/zinc/48/55/74/434485574.db2.gz BRPISVWDURCJSM-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2nccn21 ZINC000296033971 434486992 /nfs/dbraw/zinc/48/69/92/434486992.db2.gz QIIBHBVEZUDTCM-CRAIPNDOSA-N 2 2 310.445 3.275 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000400599264 434491483 /nfs/dbraw/zinc/49/14/83/434491483.db2.gz CFHIDQLHNHJLLU-RTBURBONSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000400599264 434491491 /nfs/dbraw/zinc/49/14/91/434491491.db2.gz CFHIDQLHNHJLLU-RTBURBONSA-N 2 2 304.478 3.159 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000398040651 434450028 /nfs/dbraw/zinc/45/00/28/434450028.db2.gz RTTUSPYMNHAXMG-WCWVYFQPSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000398040651 434450033 /nfs/dbraw/zinc/45/00/33/434450033.db2.gz RTTUSPYMNHAXMG-WCWVYFQPSA-N 2 2 302.462 3.195 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000398026190 434450292 /nfs/dbraw/zinc/45/02/92/434450292.db2.gz LZLYYIIFKBIYTD-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000398026190 434450300 /nfs/dbraw/zinc/45/03/00/434450300.db2.gz LZLYYIIFKBIYTD-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000348703547 434451530 /nfs/dbraw/zinc/45/15/30/434451530.db2.gz QSYCCLMBRKVFRP-AFYVEPGGSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000348703547 434451541 /nfs/dbraw/zinc/45/15/41/434451541.db2.gz QSYCCLMBRKVFRP-AFYVEPGGSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1ccc(CCCNc2cccc(OCC[NH+](C)C)c2)c[nH+]1 ZINC000353820962 434453509 /nfs/dbraw/zinc/45/35/09/434453509.db2.gz ZJMIZFSKUDUDIW-UHFFFAOYSA-N 2 2 313.445 3.375 20 0 DGADLP C[C@@]1(C[NH2+]Cc2cncc(F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000398106384 434453834 /nfs/dbraw/zinc/45/38/34/434453834.db2.gz PGNKCBLYEVUAHM-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP C[C@@]1(C[NH2+]Cc2cncc(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000398106384 434453845 /nfs/dbraw/zinc/45/38/45/434453845.db2.gz PGNKCBLYEVUAHM-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP C[C@@H](c1csnn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450874896 434455611 /nfs/dbraw/zinc/45/56/11/434455611.db2.gz HGROMXTWOFEPOW-LBPRGKRZSA-N 2 2 317.462 3.012 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404350286 434510018 /nfs/dbraw/zinc/51/00/18/434510018.db2.gz IWGRGCSTFXKZFG-LRDDRELGSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404350286 434510023 /nfs/dbraw/zinc/51/00/23/434510023.db2.gz IWGRGCSTFXKZFG-LRDDRELGSA-N 2 2 323.868 3.036 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(Br)c2)[C@@H]1CC[NH3+] ZINC000404281267 434513015 /nfs/dbraw/zinc/51/30/15/434513015.db2.gz FFACZFDWQOMOHG-CMPLNLGQSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(Br)c2)[C@@H]1CC[NH3+] ZINC000404281267 434513020 /nfs/dbraw/zinc/51/30/20/434513020.db2.gz FFACZFDWQOMOHG-CMPLNLGQSA-N 2 2 317.296 3.460 20 0 DGADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC2=CCCCC2)CCC[NH+]1C ZINC000450972951 434513553 /nfs/dbraw/zinc/51/35/53/434513553.db2.gz XGXYHYWZQKUCMC-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC2=CCCCC2)CCC[NH+]1C ZINC000450972951 434513564 /nfs/dbraw/zinc/51/35/64/434513564.db2.gz XGXYHYWZQKUCMC-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC2=CCCCC2)CCC[N@@H+]1C ZINC000450972951 434513574 /nfs/dbraw/zinc/51/35/74/434513574.db2.gz XGXYHYWZQKUCMC-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC2=CCCCC2)CCC[N@H+]1C ZINC000450972951 434513579 /nfs/dbraw/zinc/51/35/79/434513579.db2.gz XGXYHYWZQKUCMC-PKOBYXMFSA-N 2 2 316.493 3.235 20 0 DGADLP CCC(CC)n1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000438614063 434519441 /nfs/dbraw/zinc/51/94/41/434519441.db2.gz UPROMWKCMJNIBH-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000438614063 434519445 /nfs/dbraw/zinc/51/94/45/434519445.db2.gz UPROMWKCMJNIBH-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000438614063 434519456 /nfs/dbraw/zinc/51/94/56/434519456.db2.gz UPROMWKCMJNIBH-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000438614063 434519462 /nfs/dbraw/zinc/51/94/62/434519462.db2.gz UPROMWKCMJNIBH-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+](CC)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000438830284 434532274 /nfs/dbraw/zinc/53/22/74/434532274.db2.gz UVQFTUQHFIWMKQ-UHFFFAOYSA-N 3 2 317.521 3.361 20 0 DGADLP CC[NH+](CC)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438830284 434532283 /nfs/dbraw/zinc/53/22/83/434532283.db2.gz UVQFTUQHFIWMKQ-UHFFFAOYSA-N 3 2 317.521 3.361 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000296173616 434532287 /nfs/dbraw/zinc/53/22/87/434532287.db2.gz XUTGLPJHUFGRIH-QFBILLFUSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000296173616 434532296 /nfs/dbraw/zinc/53/22/96/434532296.db2.gz XUTGLPJHUFGRIH-QFBILLFUSA-N 2 2 324.472 3.350 20 0 DGADLP Clc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCn3cc[nH+]c3)nc2c1 ZINC000451021658 434535049 /nfs/dbraw/zinc/53/50/49/434535049.db2.gz QNGVAGFJAXKGHH-OAHLLOKOSA-N 2 2 315.808 3.250 20 0 DGADLP Clc1ccc2[nH]c([C@H]3CCC[N@H+]3CCn3cc[nH+]c3)nc2c1 ZINC000451021658 434535055 /nfs/dbraw/zinc/53/50/55/434535055.db2.gz QNGVAGFJAXKGHH-OAHLLOKOSA-N 2 2 315.808 3.250 20 0 DGADLP Clc1ccc2nc([C@H]3CCC[N@@H+]3CCn3cc[nH+]c3)[nH]c2c1 ZINC000451021658 434535064 /nfs/dbraw/zinc/53/50/64/434535064.db2.gz QNGVAGFJAXKGHH-OAHLLOKOSA-N 2 2 315.808 3.250 20 0 DGADLP Clc1ccc2nc([C@H]3CCC[N@H+]3CCn3cc[nH+]c3)[nH]c2c1 ZINC000451021658 434535069 /nfs/dbraw/zinc/53/50/69/434535069.db2.gz QNGVAGFJAXKGHH-OAHLLOKOSA-N 2 2 315.808 3.250 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c2cc(C)ccn12 ZINC000360187339 434543651 /nfs/dbraw/zinc/54/36/51/434543651.db2.gz GWPAVNSBKVAMHX-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)[nH]1 ZINC000527106230 295078324 /nfs/dbraw/zinc/07/83/24/295078324.db2.gz PNWHMGGLLQEMFU-LBPRGKRZSA-N 2 2 313.430 3.241 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)[nH]1 ZINC000527106230 295078325 /nfs/dbraw/zinc/07/83/25/295078325.db2.gz PNWHMGGLLQEMFU-LBPRGKRZSA-N 2 2 313.430 3.241 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000439137387 434569952 /nfs/dbraw/zinc/56/99/52/434569952.db2.gz SNHLXSXUFYHBIP-MLGOLLRUSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000439137387 434569957 /nfs/dbraw/zinc/56/99/57/434569957.db2.gz SNHLXSXUFYHBIP-MLGOLLRUSA-N 2 2 323.278 3.330 20 0 DGADLP Clc1cnccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000527634702 295107290 /nfs/dbraw/zinc/10/72/90/295107290.db2.gz PEDQDVNIGDJODQ-UHFFFAOYSA-N 2 2 315.848 3.273 20 0 DGADLP Clc1cnccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000527634702 295107291 /nfs/dbraw/zinc/10/72/91/295107291.db2.gz PEDQDVNIGDJODQ-UHFFFAOYSA-N 2 2 315.848 3.273 20 0 DGADLP c1cc2ccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cc2[nH]1 ZINC000527639917 295108054 /nfs/dbraw/zinc/10/80/54/295108054.db2.gz GJBBQFNGGMUNJE-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP CCC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OCC ZINC000527742110 295124019 /nfs/dbraw/zinc/12/40/19/295124019.db2.gz DQYULODQKRKTTK-AWEZNQCLSA-N 2 2 310.404 3.198 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000527841060 295138640 /nfs/dbraw/zinc/13/86/40/295138640.db2.gz VHMJKZDRAGBZSI-UHFFFAOYSA-N 2 2 320.396 3.079 20 0 DGADLP COc1ccc([C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C2CC2)cn1 ZINC000527840653 295138754 /nfs/dbraw/zinc/13/87/54/295138754.db2.gz IFIBHQFISBFHJJ-SFHVURJKSA-N 2 2 322.412 3.287 20 0 DGADLP c1ccc([C@H](C[NH2+]Cc2cnc(C3CC3)nc2)[NH+]2CCCC2)cc1 ZINC000459373235 434574188 /nfs/dbraw/zinc/57/41/88/434574188.db2.gz RQJWIOPARVMLOY-IBGZPJMESA-N 2 2 322.456 3.281 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(C)c1OC ZINC000423399648 295207836 /nfs/dbraw/zinc/20/78/36/295207836.db2.gz WMOPUPFKQJHUJB-PBHICJAKSA-N 2 2 320.477 3.441 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407510 295209657 /nfs/dbraw/zinc/20/96/57/295209657.db2.gz QCQPJEALXQQLNJ-JSGCOSHPSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407510 295209660 /nfs/dbraw/zinc/20/96/60/295209660.db2.gz QCQPJEALXQQLNJ-JSGCOSHPSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407510 295209661 /nfs/dbraw/zinc/20/96/61/295209661.db2.gz QCQPJEALXQQLNJ-JSGCOSHPSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)CC[C@@H]21 ZINC000528407510 295209663 /nfs/dbraw/zinc/20/96/63/295209663.db2.gz QCQPJEALXQQLNJ-JSGCOSHPSA-N 2 2 313.367 3.017 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286043856 295237880 /nfs/dbraw/zinc/23/78/80/295237880.db2.gz KRCKFYHJAVJWTQ-VHDGCEQUSA-N 2 2 318.461 3.288 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286043856 295237883 /nfs/dbraw/zinc/23/78/83/295237883.db2.gz KRCKFYHJAVJWTQ-VHDGCEQUSA-N 2 2 318.461 3.288 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354045665 434592960 /nfs/dbraw/zinc/59/29/60/434592960.db2.gz XQLZKWCICIDIDM-HNNXBMFYSA-N 2 2 320.339 3.336 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354045665 434592967 /nfs/dbraw/zinc/59/29/67/434592967.db2.gz XQLZKWCICIDIDM-HNNXBMFYSA-N 2 2 320.339 3.336 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354159593 434645825 /nfs/dbraw/zinc/64/58/25/434645825.db2.gz VSOTWBBFHMQEBH-DOTOQJQBSA-N 2 2 317.408 3.306 20 0 DGADLP COCCCCc1ccc[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424171229 434643513 /nfs/dbraw/zinc/64/35/13/434643513.db2.gz JBHKUMQQTNPSID-UHFFFAOYSA-N 2 2 302.422 3.440 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000459748868 434694633 /nfs/dbraw/zinc/69/46/33/434694633.db2.gz XPBOAWVTLCWWGW-MSOLQXFVSA-N 2 2 322.880 3.462 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccn(C)n1 ZINC000459753600 434697212 /nfs/dbraw/zinc/69/72/12/434697212.db2.gz NLHPZUUPNUAQMX-INMHGKMJSA-N 2 2 304.482 3.114 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)C[N@H+](Cc2ccccc2)C1 ZINC000439781388 434645988 /nfs/dbraw/zinc/64/59/88/434645988.db2.gz JOVMXDSXVYEYLQ-HKUYMTLNSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)C[N@@H+](Cc2ccccc2)C1 ZINC000439781388 434645995 /nfs/dbraw/zinc/64/59/95/434645995.db2.gz JOVMXDSXVYEYLQ-HKUYMTLNSA-N 2 2 314.473 3.054 20 0 DGADLP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000424183021 434651597 /nfs/dbraw/zinc/65/15/97/434651597.db2.gz BHIOSLVKHXONJP-UHFFFAOYSA-N 2 2 317.433 3.182 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167622 434653394 /nfs/dbraw/zinc/65/33/94/434653394.db2.gz SIMMLQRVAWHHOJ-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167622 434653399 /nfs/dbraw/zinc/65/33/99/434653399.db2.gz SIMMLQRVAWHHOJ-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167622 434653406 /nfs/dbraw/zinc/65/34/06/434653406.db2.gz SIMMLQRVAWHHOJ-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167622 434653412 /nfs/dbraw/zinc/65/34/12/434653412.db2.gz SIMMLQRVAWHHOJ-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP Cc1ccc(CCC[NH2+]CCN2c3ccccc3C[C@H]2C)c[nH+]1 ZINC000354190200 434661377 /nfs/dbraw/zinc/66/13/77/434661377.db2.gz NWGWZNVKXOFXMR-QGZVFWFLSA-N 2 2 309.457 3.363 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000424275828 434671609 /nfs/dbraw/zinc/67/16/09/434671609.db2.gz COJYSMDITPHFNF-NWDGAFQWSA-N 2 2 305.809 3.211 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219870 434673224 /nfs/dbraw/zinc/67/32/24/434673224.db2.gz FRWOVNWYKKYRAA-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219870 434673230 /nfs/dbraw/zinc/67/32/30/434673230.db2.gz FRWOVNWYKKYRAA-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219870 434673237 /nfs/dbraw/zinc/67/32/37/434673237.db2.gz FRWOVNWYKKYRAA-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@@H]1C ZINC000354219870 434673240 /nfs/dbraw/zinc/67/32/40/434673240.db2.gz FRWOVNWYKKYRAA-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060885 434674098 /nfs/dbraw/zinc/67/40/98/434674098.db2.gz HYJOWUMYZFHPJG-KVMJBUIKSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060885 434674104 /nfs/dbraw/zinc/67/41/04/434674104.db2.gz HYJOWUMYZFHPJG-KVMJBUIKSA-N 2 2 308.510 3.265 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226478 434676068 /nfs/dbraw/zinc/67/60/68/434676068.db2.gz WIGWXWLYDYRADW-ZFWWWQNUSA-N 2 2 303.406 3.239 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226478 434676071 /nfs/dbraw/zinc/67/60/71/434676071.db2.gz WIGWXWLYDYRADW-ZFWWWQNUSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226478 434676077 /nfs/dbraw/zinc/67/60/77/434676077.db2.gz WIGWXWLYDYRADW-ZFWWWQNUSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C[C@@H]1C ZINC000354226478 434676081 /nfs/dbraw/zinc/67/60/81/434676081.db2.gz WIGWXWLYDYRADW-ZFWWWQNUSA-N 2 2 303.406 3.239 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224720 434677080 /nfs/dbraw/zinc/67/70/80/434677080.db2.gz OWDVPRGCKQPMTA-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224720 434677083 /nfs/dbraw/zinc/67/70/83/434677083.db2.gz OWDVPRGCKQPMTA-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224720 434677089 /nfs/dbraw/zinc/67/70/89/434677089.db2.gz OWDVPRGCKQPMTA-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(C)=O)C[C@H]1C ZINC000354224720 434677092 /nfs/dbraw/zinc/67/70/92/434677092.db2.gz OWDVPRGCKQPMTA-WBVHZDCISA-N 2 2 318.461 3.073 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285336 434677584 /nfs/dbraw/zinc/67/75/84/434677584.db2.gz DKUJTUQAVWUCHK-LQJIQPLVSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285336 434677592 /nfs/dbraw/zinc/67/75/92/434677592.db2.gz DKUJTUQAVWUCHK-LQJIQPLVSA-N 2 2 313.489 3.318 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225015 434678746 /nfs/dbraw/zinc/67/87/46/434678746.db2.gz PSJXEQISEBZULB-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225015 434678752 /nfs/dbraw/zinc/67/87/52/434678752.db2.gz PSJXEQISEBZULB-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225015 434678759 /nfs/dbraw/zinc/67/87/59/434678759.db2.gz PSJXEQISEBZULB-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225015 434678765 /nfs/dbraw/zinc/67/87/65/434678765.db2.gz PSJXEQISEBZULB-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000424288640 434678783 /nfs/dbraw/zinc/67/87/83/434678783.db2.gz KVQHQCGHLIEDLF-CHWSQXEVSA-N 2 2 313.232 3.001 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224352 434678870 /nfs/dbraw/zinc/67/88/70/434678870.db2.gz NQEIBRJFOBPJGE-DOTOQJQBSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224352 434678880 /nfs/dbraw/zinc/67/88/80/434678880.db2.gz NQEIBRJFOBPJGE-DOTOQJQBSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224352 434678891 /nfs/dbraw/zinc/67/88/91/434678891.db2.gz NQEIBRJFOBPJGE-DOTOQJQBSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224352 434678900 /nfs/dbraw/zinc/67/89/00/434678900.db2.gz NQEIBRJFOBPJGE-DOTOQJQBSA-N 2 2 317.477 3.047 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000459740869 434690920 /nfs/dbraw/zinc/69/09/20/434690920.db2.gz MSOMDKQCRNBRKX-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000459740869 434690922 /nfs/dbraw/zinc/69/09/22/434690922.db2.gz MSOMDKQCRNBRKX-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ncco2)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000411284354 434755527 /nfs/dbraw/zinc/75/55/27/434755527.db2.gz OCLFOGJGCSGPET-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1ccc(-c2ncco2)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000411284354 434755533 /nfs/dbraw/zinc/75/55/33/434755533.db2.gz OCLFOGJGCSGPET-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ccc(-c2ncco2)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000411284354 434755536 /nfs/dbraw/zinc/75/55/36/434755536.db2.gz OCLFOGJGCSGPET-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ccc(-c2ncco2)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000411284354 434755542 /nfs/dbraw/zinc/75/55/42/434755542.db2.gz OCLFOGJGCSGPET-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419212357 434750285 /nfs/dbraw/zinc/75/02/85/434750285.db2.gz ZUVRLLWIARUKER-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000419212357 434750294 /nfs/dbraw/zinc/75/02/94/434750294.db2.gz ZUVRLLWIARUKER-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349387358 434703051 /nfs/dbraw/zinc/70/30/51/434703051.db2.gz VAMLLJPPCGCTMA-UHFFFAOYSA-N 3 2 312.461 3.180 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349387358 434703058 /nfs/dbraw/zinc/70/30/58/434703058.db2.gz VAMLLJPPCGCTMA-UHFFFAOYSA-N 3 2 312.461 3.180 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000424336874 434703734 /nfs/dbraw/zinc/70/37/34/434703734.db2.gz RIKQCCREPNLMAB-HUUCEWRRSA-N 2 2 305.809 3.355 20 0 DGADLP c1cc(C[NH+]2CCC(Nc3c[nH+]c4c(c3)CCCC4)CC2)ccn1 ZINC000360833065 434705199 /nfs/dbraw/zinc/70/51/99/434705199.db2.gz GXQLKCARROUGHV-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCSCC(F)(F)F)n2c1 ZINC000354283552 434705405 /nfs/dbraw/zinc/70/54/05/434705405.db2.gz SVMCVQJRODGYOC-UHFFFAOYSA-N 2 2 303.353 3.028 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc([C@H]2CCCO2)s1 ZINC000349408823 434706702 /nfs/dbraw/zinc/70/67/02/434706702.db2.gz QFVXCXJFQGSPKS-OAHLLOKOSA-N 2 2 311.495 3.158 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc([C@H]2CCCO2)s1 ZINC000349408823 434706708 /nfs/dbraw/zinc/70/67/08/434706708.db2.gz QFVXCXJFQGSPKS-OAHLLOKOSA-N 2 2 311.495 3.158 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)s1 ZINC000349417908 434709227 /nfs/dbraw/zinc/70/92/27/434709227.db2.gz NAMDNTCCHYKPGK-UHFFFAOYSA-N 2 2 303.353 3.486 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)s1 ZINC000349417908 434709235 /nfs/dbraw/zinc/70/92/35/434709235.db2.gz NAMDNTCCHYKPGK-UHFFFAOYSA-N 2 2 303.353 3.486 20 0 DGADLP COCCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000442874524 434773011 /nfs/dbraw/zinc/77/30/11/434773011.db2.gz MKKHLUVNIKEXQW-IAGOWNOFSA-N 2 2 317.408 3.095 20 0 DGADLP CC[NH+](CC)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453056430 434786193 /nfs/dbraw/zinc/78/61/93/434786193.db2.gz LBSOCAKFJLVHMN-INIZCTEOSA-N 2 2 320.868 3.094 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)Cc1cnccn1)c1ccccc1 ZINC000453058166 434787069 /nfs/dbraw/zinc/78/70/69/434787069.db2.gz NXPRLPBIOAYRRH-APWZRJJASA-N 2 2 312.461 3.080 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000453109261 434802682 /nfs/dbraw/zinc/80/26/82/434802682.db2.gz AFESEAGNMGAXDY-MAUKXSAKSA-N 2 2 310.445 3.143 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccncn1)[N@@H+]1CCc2ccccc2C1 ZINC000453072793 434790526 /nfs/dbraw/zinc/79/05/26/434790526.db2.gz IIRPGALCSVTKQY-JXFKEZNVSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccncn1)[N@H+]1CCc2ccccc2C1 ZINC000453072793 434790530 /nfs/dbraw/zinc/79/05/30/434790530.db2.gz IIRPGALCSVTKQY-JXFKEZNVSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccncn1)[N@@H+]1CCc2ccccc2C1 ZINC000453072798 434791771 /nfs/dbraw/zinc/79/17/71/434791771.db2.gz IIRPGALCSVTKQY-OXJNMPFZSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccncn1)[N@H+]1CCc2ccccc2C1 ZINC000453072798 434791776 /nfs/dbraw/zinc/79/17/76/434791776.db2.gz IIRPGALCSVTKQY-OXJNMPFZSA-N 2 2 324.472 3.210 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077010 434792730 /nfs/dbraw/zinc/79/27/30/434792730.db2.gz AGHYGIVVYVIEDL-HUUCEWRRSA-N 2 2 316.474 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccncn1 ZINC000453077010 434792733 /nfs/dbraw/zinc/79/27/33/434792733.db2.gz AGHYGIVVYVIEDL-HUUCEWRRSA-N 2 2 316.474 3.101 20 0 DGADLP c1c(CC[NH2+]C2CCc3ccccc3CC2)[nH+]c2n1CCCC2 ZINC000453075887 434792787 /nfs/dbraw/zinc/79/27/87/434792787.db2.gz ITAMBHWBEZMXEJ-UHFFFAOYSA-N 2 2 309.457 3.299 20 0 DGADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000445354298 434796060 /nfs/dbraw/zinc/79/60/60/434796060.db2.gz QDDQRDRPWKMUDF-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1cccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000445354298 434796064 /nfs/dbraw/zinc/79/60/64/434796064.db2.gz QDDQRDRPWKMUDF-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCC2 ZINC000453111243 434805248 /nfs/dbraw/zinc/80/52/48/434805248.db2.gz BMBDNCPHPWBTCY-ZWKOTPCHSA-N 2 2 311.429 3.228 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000453208999 434829012 /nfs/dbraw/zinc/82/90/12/434829012.db2.gz KWJPGBQTCINJRW-QFBILLFUSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000453208999 434829017 /nfs/dbraw/zinc/82/90/17/434829017.db2.gz KWJPGBQTCINJRW-QFBILLFUSA-N 2 2 301.478 3.399 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254399 434841713 /nfs/dbraw/zinc/84/17/13/434841713.db2.gz DQXXUSSZWOMWTL-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254399 434841716 /nfs/dbraw/zinc/84/17/16/434841716.db2.gz DQXXUSSZWOMWTL-DLBZAZTESA-N 2 2 310.869 3.228 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453272818 434846450 /nfs/dbraw/zinc/84/64/50/434846450.db2.gz VIPKMKTZRJTFSV-NVXWUHKLSA-N 2 2 322.518 3.296 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453272818 434846454 /nfs/dbraw/zinc/84/64/54/434846454.db2.gz VIPKMKTZRJTFSV-NVXWUHKLSA-N 2 2 322.518 3.296 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453269446 434846551 /nfs/dbraw/zinc/84/65/51/434846551.db2.gz RHSDCXMJEWYVHB-VQTJNVASSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453269446 434846555 /nfs/dbraw/zinc/84/65/55/434846555.db2.gz RHSDCXMJEWYVHB-VQTJNVASSA-N 2 2 318.505 3.080 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554079503 434912596 /nfs/dbraw/zinc/91/25/96/434912596.db2.gz VBNRSVXRJFVOMJ-QHSBEEBCSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554079503 434912600 /nfs/dbraw/zinc/91/26/00/434912600.db2.gz VBNRSVXRJFVOMJ-QHSBEEBCSA-N 2 2 304.400 3.427 20 0 DGADLP Cc1ccc2c(C)cc(N[C@@H]3CCN(c4cccc[nH+]4)C3)[nH+]c2c1 ZINC000460934071 434865776 /nfs/dbraw/zinc/86/57/76/434865776.db2.gz ABYJZAUVNZPATB-MRXNPFEDSA-N 2 2 318.424 3.359 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000573010694 434868183 /nfs/dbraw/zinc/86/81/83/434868183.db2.gz MGSDLGUQRLYIJA-WMZOPIPTSA-N 2 2 304.478 3.159 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000573010694 434868184 /nfs/dbraw/zinc/86/81/84/434868184.db2.gz MGSDLGUQRLYIJA-WMZOPIPTSA-N 2 2 304.478 3.159 20 0 DGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000573921269 434937643 /nfs/dbraw/zinc/93/76/43/434937643.db2.gz PPNCWSJXWFIGOE-UHFFFAOYSA-N 2 2 307.850 3.387 20 0 DGADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)[nH+]1 ZINC000638086545 434949217 /nfs/dbraw/zinc/94/92/17/434949217.db2.gz TYANIOUMDBHGER-MRXNPFEDSA-N 2 2 310.445 3.116 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@@H]3CCC[C@@H]32)cc1 ZINC000574173405 434956073 /nfs/dbraw/zinc/95/60/73/434956073.db2.gz IYQYHRMNISGQQR-FHWLQOOXSA-N 2 2 322.456 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@@H]3CCC[C@@H]32)cc1 ZINC000574173405 434956078 /nfs/dbraw/zinc/95/60/78/434956078.db2.gz IYQYHRMNISGQQR-FHWLQOOXSA-N 2 2 322.456 3.009 20 0 DGADLP Oc1cc(C[NH2+]CCCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000554978419 434956228 /nfs/dbraw/zinc/95/62/28/434956228.db2.gz KIIQOLSJVKDRNZ-UHFFFAOYSA-N 2 2 313.323 3.178 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000638172003 434971441 /nfs/dbraw/zinc/97/14/41/434971441.db2.gz MZLRCZFFYAAQGS-WFASDCNBSA-N 2 2 306.360 3.299 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000638172003 434971445 /nfs/dbraw/zinc/97/14/45/434971445.db2.gz MZLRCZFFYAAQGS-WFASDCNBSA-N 2 2 306.360 3.299 20 0 DGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)C1 ZINC000464056606 434975224 /nfs/dbraw/zinc/97/52/24/434975224.db2.gz LCWQNBPUECFLQA-XLAORIBOSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)C1 ZINC000464056606 434975227 /nfs/dbraw/zinc/97/52/27/434975227.db2.gz LCWQNBPUECFLQA-XLAORIBOSA-N 2 2 306.494 3.188 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301705 434920199 /nfs/dbraw/zinc/92/01/99/434920199.db2.gz FLBICODJRUIQRL-QZTJIDSGSA-N 2 2 324.509 3.162 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301705 434920200 /nfs/dbraw/zinc/92/02/00/434920200.db2.gz FLBICODJRUIQRL-QZTJIDSGSA-N 2 2 324.509 3.162 20 0 DGADLP Cc1[nH+]ccc(N2CC[NH+](Cc3ccsc3)CC2)c1Cl ZINC000554286873 434920753 /nfs/dbraw/zinc/92/07/53/434920753.db2.gz NPNZAWNSYYBGSE-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccns2)CC1 ZINC000638380240 435019922 /nfs/dbraw/zinc/01/99/22/435019922.db2.gz XDYQPFIPZPJGOK-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP COC1(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)CCCCC1 ZINC000556809698 435026676 /nfs/dbraw/zinc/02/66/76/435026676.db2.gz FUNSJWWKQSTNQH-UHFFFAOYSA-N 2 2 300.406 3.088 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000638432393 435030077 /nfs/dbraw/zinc/03/00/77/435030077.db2.gz ZNSALOQADWXBPD-KRWDZBQOSA-N 2 2 319.497 3.280 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000638432395 435031019 /nfs/dbraw/zinc/03/10/19/435031019.db2.gz ZNSALOQADWXBPD-QGZVFWFLSA-N 2 2 319.497 3.280 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598013 434980015 /nfs/dbraw/zinc/98/00/15/434980015.db2.gz MMNOOOZZQORIDN-ZFWWWQNUSA-N 2 2 322.415 3.293 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598013 434980017 /nfs/dbraw/zinc/98/00/17/434980017.db2.gz MMNOOOZZQORIDN-ZFWWWQNUSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598013 434980018 /nfs/dbraw/zinc/98/00/18/434980018.db2.gz MMNOOOZZQORIDN-ZFWWWQNUSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598013 434980021 /nfs/dbraw/zinc/98/00/21/434980021.db2.gz MMNOOOZZQORIDN-ZFWWWQNUSA-N 2 2 322.415 3.293 20 0 DGADLP c1cn(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH+]1 ZINC000638284636 434995819 /nfs/dbraw/zinc/99/58/19/434995819.db2.gz BTWCIFUGMVZVKT-ICSRJNTNSA-N 3 2 324.472 3.231 20 0 DGADLP c1cn(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH+]1 ZINC000638284636 434995824 /nfs/dbraw/zinc/99/58/24/434995824.db2.gz BTWCIFUGMVZVKT-ICSRJNTNSA-N 3 2 324.472 3.231 20 0 DGADLP c1csc([C@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)c1 ZINC000638287356 434996844 /nfs/dbraw/zinc/99/68/44/434996844.db2.gz SZSSDTPOTPENDW-INIZCTEOSA-N 2 2 308.491 3.291 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000556155952 434997378 /nfs/dbraw/zinc/99/73/78/434997378.db2.gz UTPHOQOFKKZLMK-HNJRGHQBSA-N 2 2 318.505 3.485 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CC1CCSCC1 ZINC000638297581 435000640 /nfs/dbraw/zinc/00/06/40/435000640.db2.gz IMWVIEKBXNHCMV-UHFFFAOYSA-N 2 2 303.475 3.468 20 0 DGADLP Cc1cc(NC(=O)CCC2C[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000638310546 435001615 /nfs/dbraw/zinc/00/16/15/435001615.db2.gz HJTGSQDVJNMQDY-UHFFFAOYSA-N 2 2 311.385 3.120 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638326718 435005556 /nfs/dbraw/zinc/00/55/56/435005556.db2.gz UAZPBVPNYYCDPR-BBRMVZONSA-N 2 2 308.416 3.457 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638326718 435005560 /nfs/dbraw/zinc/00/55/60/435005560.db2.gz UAZPBVPNYYCDPR-BBRMVZONSA-N 2 2 308.416 3.457 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638338020 435008711 /nfs/dbraw/zinc/00/87/11/435008711.db2.gz PNQCNWDFKHLTTM-UHFFFAOYSA-N 2 2 307.388 3.333 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638338020 435008715 /nfs/dbraw/zinc/00/87/15/435008715.db2.gz PNQCNWDFKHLTTM-UHFFFAOYSA-N 2 2 307.388 3.333 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+]1CC(C)C1 ZINC000557580929 435059581 /nfs/dbraw/zinc/05/95/81/435059581.db2.gz GFYWBXWEBPBPAZ-AWEZNQCLSA-N 2 2 311.385 3.153 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000638670791 435066781 /nfs/dbraw/zinc/06/67/81/435066781.db2.gz KRDZKDXWKILDRA-XJKSGUPXSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000638670791 435066784 /nfs/dbraw/zinc/06/67/84/435066784.db2.gz KRDZKDXWKILDRA-XJKSGUPXSA-N 2 2 305.447 3.217 20 0 DGADLP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638688581 435069661 /nfs/dbraw/zinc/06/96/61/435069661.db2.gz HBZDEEREOXMOMJ-KBXCAEBGSA-N 2 2 321.428 3.408 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677202 435069798 /nfs/dbraw/zinc/06/97/98/435069798.db2.gz AQXPLWCDKHSRTD-QKYXUNIQSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677202 435069801 /nfs/dbraw/zinc/06/98/01/435069801.db2.gz AQXPLWCDKHSRTD-QKYXUNIQSA-N 2 2 324.472 3.439 20 0 DGADLP COc1cc2c(cc1C[NH2+]CCc1cc[nH+]cc1C)O[C@@H](C)C2 ZINC000557865486 435069866 /nfs/dbraw/zinc/06/98/66/435069866.db2.gz FXWBWUNHBKCSSZ-AWEZNQCLSA-N 2 2 312.413 3.054 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638711161 435074430 /nfs/dbraw/zinc/07/44/30/435074430.db2.gz XMWZKVWXMQHPCP-JOYOIKCWSA-N 2 2 302.249 3.148 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638711161 435074432 /nfs/dbraw/zinc/07/44/32/435074432.db2.gz XMWZKVWXMQHPCP-JOYOIKCWSA-N 2 2 302.249 3.148 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638711135 435074661 /nfs/dbraw/zinc/07/46/61/435074661.db2.gz XMWZKVWXMQHPCP-BXKDBHETSA-N 2 2 302.249 3.148 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638711135 435074665 /nfs/dbraw/zinc/07/46/65/435074665.db2.gz XMWZKVWXMQHPCP-BXKDBHETSA-N 2 2 302.249 3.148 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@@H+]1C1CC1 ZINC000638759948 435083827 /nfs/dbraw/zinc/08/38/27/435083827.db2.gz OLARZOKRAMKSCH-BXKDBHETSA-N 2 2 314.260 3.290 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@H+]1C1CC1 ZINC000638759948 435083830 /nfs/dbraw/zinc/08/38/30/435083830.db2.gz OLARZOKRAMKSCH-BXKDBHETSA-N 2 2 314.260 3.290 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CC1(F)F ZINC000638788444 435089389 /nfs/dbraw/zinc/08/93/89/435089389.db2.gz KBLSSLHCILOZOP-HEHGZKQESA-N 2 2 309.404 3.240 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000578519045 435089560 /nfs/dbraw/zinc/08/95/60/435089560.db2.gz MUMRWHUVKQLXQH-GXTWGEPZSA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000578519045 435089566 /nfs/dbraw/zinc/08/95/66/435089566.db2.gz MUMRWHUVKQLXQH-GXTWGEPZSA-N 2 2 317.458 3.130 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563784 435053433 /nfs/dbraw/zinc/05/34/33/435053433.db2.gz COOBIPVAINMJBI-SVUBNXHSSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563784 435053437 /nfs/dbraw/zinc/05/34/37/435053437.db2.gz COOBIPVAINMJBI-SVUBNXHSSA-N 2 2 310.445 3.012 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)C3CCC3)CC2)c1 ZINC000474469791 435147792 /nfs/dbraw/zinc/14/77/92/435147792.db2.gz HVAMQBGLLUOQON-SFHVURJKSA-N 2 2 315.505 3.285 20 0 DGADLP C[C@H](C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000532230863 435149002 /nfs/dbraw/zinc/14/90/02/435149002.db2.gz OQLXNBGRHDVVNG-ZRGWGRIASA-N 2 2 320.452 3.007 20 0 DGADLP Cc1cc(NC(=O)/C=C\C[NH+](C)C)ccc1Oc1cc[nH+]cc1 ZINC000493020255 435092495 /nfs/dbraw/zinc/09/24/95/435092495.db2.gz RYFVHUAOKYHXEF-PLNGDYQASA-N 2 2 311.385 3.239 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664728 435102511 /nfs/dbraw/zinc/10/25/11/435102511.db2.gz VYNONJZGJWXZCT-ZIAGYGMSSA-N 2 2 320.864 3.456 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664728 435102514 /nfs/dbraw/zinc/10/25/14/435102514.db2.gz VYNONJZGJWXZCT-ZIAGYGMSSA-N 2 2 320.864 3.456 20 0 DGADLP C[NH+](C)[C@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000638848251 435102560 /nfs/dbraw/zinc/10/25/60/435102560.db2.gz WKWVWKJYTQKWDW-GHTZIAJQSA-N 2 2 323.484 3.405 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)cc2)C1 ZINC000493110721 435109322 /nfs/dbraw/zinc/10/93/22/435109322.db2.gz AOKDWVGZKUELRK-XVJNWHFHSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)cc2)C1 ZINC000493110721 435109326 /nfs/dbraw/zinc/10/93/26/435109326.db2.gz AOKDWVGZKUELRK-XVJNWHFHSA-N 2 2 324.428 3.294 20 0 DGADLP CC[C@@H](C)[C@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)OC ZINC000638871292 435110611 /nfs/dbraw/zinc/11/06/11/435110611.db2.gz KUTLGWXAOQLVAL-PBHICJAKSA-N 2 2 303.450 3.157 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531939301 435128356 /nfs/dbraw/zinc/12/83/56/435128356.db2.gz LHVGJSNDNIPSKB-KRWDZBQOSA-N 2 2 315.417 3.175 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCOC1 ZINC000531957770 435128947 /nfs/dbraw/zinc/12/89/47/435128947.db2.gz FVRLIUMSUUZSBN-AITUJVMLSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCOC1 ZINC000531957770 435128948 /nfs/dbraw/zinc/12/89/48/435128948.db2.gz FVRLIUMSUUZSBN-AITUJVMLSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966801 435130892 /nfs/dbraw/zinc/13/08/92/435130892.db2.gz CTXKIQLXDKEKNI-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966801 435130896 /nfs/dbraw/zinc/13/08/96/435130896.db2.gz CTXKIQLXDKEKNI-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000639036950 435131473 /nfs/dbraw/zinc/13/14/73/435131473.db2.gz FSQJEBBSLFYXJS-OAHLLOKOSA-N 2 2 312.461 3.292 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000639046070 435135496 /nfs/dbraw/zinc/13/54/96/435135496.db2.gz HOGNAFGNJLJINO-UHFFFAOYSA-N 2 2 312.461 3.150 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000559736340 435136245 /nfs/dbraw/zinc/13/62/45/435136245.db2.gz LNVJIXLRCGPJFP-FGTMMUONSA-N 2 2 324.509 3.353 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000559892770 435140300 /nfs/dbraw/zinc/14/03/00/435140300.db2.gz HNVFMVKRRMXDAW-PWIZWCRZSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000559892770 435140304 /nfs/dbraw/zinc/14/03/04/435140304.db2.gz HNVFMVKRRMXDAW-PWIZWCRZSA-N 2 2 316.489 3.371 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(n2cccn2)C1)C1CC1 ZINC000639061860 435141170 /nfs/dbraw/zinc/14/11/70/435141170.db2.gz TYHKHJRZJZGPSP-MHJFOBGBSA-N 2 2 324.472 3.087 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(n2cccn2)C1)C1CC1 ZINC000639061860 435141175 /nfs/dbraw/zinc/14/11/75/435141175.db2.gz TYHKHJRZJZGPSP-MHJFOBGBSA-N 2 2 324.472 3.087 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000474045900 435144639 /nfs/dbraw/zinc/14/46/39/435144639.db2.gz QDRPYMPRRHMRTJ-AGRHKRQWSA-N 2 2 314.473 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000474045900 435144644 /nfs/dbraw/zinc/14/46/44/435144644.db2.gz QDRPYMPRRHMRTJ-AGRHKRQWSA-N 2 2 314.473 3.490 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639175198 435184556 /nfs/dbraw/zinc/18/45/56/435184556.db2.gz IRMUNVRKEAHGLK-UHFFFAOYSA-N 2 2 307.388 3.287 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639175198 435184559 /nfs/dbraw/zinc/18/45/59/435184559.db2.gz IRMUNVRKEAHGLK-UHFFFAOYSA-N 2 2 307.388 3.287 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000639196888 435194843 /nfs/dbraw/zinc/19/48/43/435194843.db2.gz NNLZNCOHHQFRCD-MRXNPFEDSA-N 2 2 314.433 3.347 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000639196887 435195555 /nfs/dbraw/zinc/19/55/55/435195555.db2.gz NNLZNCOHHQFRCD-INIZCTEOSA-N 2 2 314.433 3.347 20 0 DGADLP Brc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579952933 435195877 /nfs/dbraw/zinc/19/58/77/435195877.db2.gz WENDAWQBXKLWEV-OAHLLOKOSA-N 2 2 309.251 3.025 20 0 DGADLP Brc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579952933 435195881 /nfs/dbraw/zinc/19/58/81/435195881.db2.gz WENDAWQBXKLWEV-OAHLLOKOSA-N 2 2 309.251 3.025 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878765 435197139 /nfs/dbraw/zinc/19/71/39/435197139.db2.gz UIOBNBYLDSCXMW-BEFAXECRSA-N 2 2 314.473 3.320 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878765 435197141 /nfs/dbraw/zinc/19/71/41/435197141.db2.gz UIOBNBYLDSCXMW-BEFAXECRSA-N 2 2 314.473 3.320 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205398 435197528 /nfs/dbraw/zinc/19/75/28/435197528.db2.gz YYMWUTYIWOEMEA-INIZCTEOSA-N 2 2 312.379 3.319 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205398 435197530 /nfs/dbraw/zinc/19/75/30/435197530.db2.gz YYMWUTYIWOEMEA-INIZCTEOSA-N 2 2 312.379 3.319 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205398 435197532 /nfs/dbraw/zinc/19/75/32/435197532.db2.gz YYMWUTYIWOEMEA-INIZCTEOSA-N 2 2 312.379 3.319 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205398 435197534 /nfs/dbraw/zinc/19/75/34/435197534.db2.gz YYMWUTYIWOEMEA-INIZCTEOSA-N 2 2 312.379 3.319 20 0 DGADLP CO[C@](C)(C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000639216347 435201880 /nfs/dbraw/zinc/20/18/80/435201880.db2.gz UITHECBSZRRSNA-QGZVFWFLSA-N 2 2 319.836 3.430 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]CCC[C@H]1CCO1 ZINC000639216356 435202739 /nfs/dbraw/zinc/20/27/39/435202739.db2.gz USIUOHGPSNJUOV-ZDUSSCGKSA-N 2 2 305.809 3.184 20 0 DGADLP CO[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000639215769 435203104 /nfs/dbraw/zinc/20/31/04/435203104.db2.gz GVHDFJRXVAPOLN-INIZCTEOSA-N 2 2 305.809 3.040 20 0 DGADLP c1cnc2cccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000639114546 435160959 /nfs/dbraw/zinc/16/09/59/435160959.db2.gz KRNCYGKKYBLPQK-QGZVFWFLSA-N 2 2 305.381 3.283 20 0 DGADLP c1cnc2cccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000639114546 435160963 /nfs/dbraw/zinc/16/09/63/435160963.db2.gz KRNCYGKKYBLPQK-QGZVFWFLSA-N 2 2 305.381 3.283 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474925860 435166047 /nfs/dbraw/zinc/16/60/47/435166047.db2.gz JKBWNJCYPSGHDJ-LEAZDLGRSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474925860 435166052 /nfs/dbraw/zinc/16/60/52/435166052.db2.gz JKBWNJCYPSGHDJ-LEAZDLGRSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000532448295 435166565 /nfs/dbraw/zinc/16/65/65/435166565.db2.gz QQSLZUSYENVFPS-ZUJMUWTESA-N 2 2 322.415 3.075 20 0 DGADLP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000532448295 435166567 /nfs/dbraw/zinc/16/65/67/435166567.db2.gz QQSLZUSYENVFPS-ZUJMUWTESA-N 2 2 322.415 3.075 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000639135533 435169859 /nfs/dbraw/zinc/16/98/59/435169859.db2.gz UURPCXNBVNMEGJ-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000532532229 435174283 /nfs/dbraw/zinc/17/42/83/435174283.db2.gz TVQNUJRXLZLYPA-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000532532229 435174286 /nfs/dbraw/zinc/17/42/86/435174286.db2.gz TVQNUJRXLZLYPA-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1)[NH+](C)C ZINC000475090167 435175513 /nfs/dbraw/zinc/17/55/13/435175513.db2.gz FYKYEWYHVLSTEB-DFEOGRTESA-N 2 2 304.478 3.391 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639155453 435175652 /nfs/dbraw/zinc/17/56/52/435175652.db2.gz PSAOPTUMPGMJHC-AWEZNQCLSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639155453 435175655 /nfs/dbraw/zinc/17/56/55/435175655.db2.gz PSAOPTUMPGMJHC-AWEZNQCLSA-N 2 2 316.474 3.364 20 0 DGADLP CC[C@](C)(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157158 435176806 /nfs/dbraw/zinc/17/68/06/435176806.db2.gz SACUCGLALKCBBS-CRAIPNDOSA-N 2 2 305.466 3.214 20 0 DGADLP CC[C@](C)(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157158 435176811 /nfs/dbraw/zinc/17/68/11/435176811.db2.gz SACUCGLALKCBBS-CRAIPNDOSA-N 2 2 305.466 3.214 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000561468196 435217806 /nfs/dbraw/zinc/21/78/06/435217806.db2.gz PGOSVWZUIXLLPJ-CBGDNZLLSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000561468196 435217811 /nfs/dbraw/zinc/21/78/11/435217811.db2.gz PGOSVWZUIXLLPJ-CBGDNZLLSA-N 2 2 324.468 3.433 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000580311430 435222158 /nfs/dbraw/zinc/22/21/58/435222158.db2.gz IKTWOHVEBKLEOG-ROUUACIJSA-N 2 2 312.461 3.211 20 0 DGADLP CO[C@](C)(C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000639241089 435211556 /nfs/dbraw/zinc/21/15/56/435211556.db2.gz BIENKYXZAUGTLY-OAHLLOKOSA-N 2 2 322.415 3.150 20 0 DGADLP CO[C@](C)(C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000639241089 435211557 /nfs/dbraw/zinc/21/15/57/435211557.db2.gz BIENKYXZAUGTLY-OAHLLOKOSA-N 2 2 322.415 3.150 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639336253 435250377 /nfs/dbraw/zinc/25/03/77/435250377.db2.gz AFZBEAHYGDECBI-YLJYHZDGSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639336253 435250380 /nfs/dbraw/zinc/25/03/80/435250380.db2.gz AFZBEAHYGDECBI-YLJYHZDGSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1nccn1C ZINC000639327434 435247218 /nfs/dbraw/zinc/24/72/18/435247218.db2.gz OZRSYPWYTBIMBA-KVSKMBFKSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1nccn1C ZINC000639327434 435247221 /nfs/dbraw/zinc/24/72/21/435247221.db2.gz OZRSYPWYTBIMBA-KVSKMBFKSA-N 2 2 324.472 3.439 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067247 435264986 /nfs/dbraw/zinc/26/49/86/435264986.db2.gz YLASZWRELOFWNM-PKOBYXMFSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067247 435264991 /nfs/dbraw/zinc/26/49/91/435264991.db2.gz YLASZWRELOFWNM-PKOBYXMFSA-N 2 2 310.441 3.293 20 0 DGADLP COc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(OC)c1 ZINC000639374742 435271086 /nfs/dbraw/zinc/27/10/86/435271086.db2.gz KIZYUDNKAHIDRA-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP C[N@H+](Cc1cc2cc(Cl)cnc2o1)[C@H]1C[NH+]2CCC1CC2 ZINC000639393032 435286083 /nfs/dbraw/zinc/28/60/83/435286083.db2.gz QBMKBUXTKITAPK-HNNXBMFYSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)[C@H]1C[NH+]2CCC1CC2 ZINC000639393032 435286086 /nfs/dbraw/zinc/28/60/86/435286086.db2.gz QBMKBUXTKITAPK-HNNXBMFYSA-N 2 2 305.809 3.007 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCO[C@@H](CC)C2)[NH+](C)C)cc1 ZINC000648401739 435287699 /nfs/dbraw/zinc/28/76/99/435287699.db2.gz NBQQSQAGKPUQPN-FHWLQOOXSA-N 2 2 304.478 3.399 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)c1C ZINC000643323056 435301904 /nfs/dbraw/zinc/30/19/04/435301904.db2.gz NQYMQXAZYRYMEN-UHFFFAOYSA-N 2 2 323.400 3.105 20 0 DGADLP Cc1noc([C@H]2CCC[N@H+](Cc3c(C)cc(C)[nH+]c3C)C2)n1 ZINC000639459090 435305324 /nfs/dbraw/zinc/30/53/24/435305324.db2.gz FMDMTTXQXQWDNC-HNNXBMFYSA-N 2 2 300.406 3.078 20 0 DGADLP Cc1noc([C@H]2CCC[N@@H+](Cc3c(C)cc(C)[nH+]c3C)C2)n1 ZINC000639459090 435305328 /nfs/dbraw/zinc/30/53/28/435305328.db2.gz FMDMTTXQXQWDNC-HNNXBMFYSA-N 2 2 300.406 3.078 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000639496237 435319041 /nfs/dbraw/zinc/31/90/41/435319041.db2.gz VVBXEKZTIDLCQS-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000639496237 435319046 /nfs/dbraw/zinc/31/90/46/435319046.db2.gz VVBXEKZTIDLCQS-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000639496237 435319051 /nfs/dbraw/zinc/31/90/51/435319051.db2.gz VVBXEKZTIDLCQS-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000639496237 435319057 /nfs/dbraw/zinc/31/90/57/435319057.db2.gz VVBXEKZTIDLCQS-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000535314669 435326440 /nfs/dbraw/zinc/32/64/40/435326440.db2.gz QTWLBDFIUPJKHU-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000535314669 435326443 /nfs/dbraw/zinc/32/64/43/435326443.db2.gz QTWLBDFIUPJKHU-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457563 435329943 /nfs/dbraw/zinc/32/99/43/435329943.db2.gz MIRFCIURLKIXKB-AQNXPRMDSA-N 3 2 315.505 3.019 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457563 435329950 /nfs/dbraw/zinc/32/99/50/435329950.db2.gz MIRFCIURLKIXKB-AQNXPRMDSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000643457511 435331131 /nfs/dbraw/zinc/33/11/31/435331131.db2.gz HKYXVCPMKUNVJP-MISYRCLQSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000643457511 435331135 /nfs/dbraw/zinc/33/11/35/435331135.db2.gz HKYXVCPMKUNVJP-MISYRCLQSA-N 3 2 315.505 3.019 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CCO2 ZINC000643482394 435333507 /nfs/dbraw/zinc/33/35/07/435333507.db2.gz GLAUPEAZDADUSZ-PXAZEXFGSA-N 2 2 313.401 3.067 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000643478697 435334781 /nfs/dbraw/zinc/33/47/81/435334781.db2.gz XTSZPPBDPMWHFS-CVEARBPZSA-N 2 2 308.381 3.139 20 0 DGADLP Cc1ccc2nc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cn2c1 ZINC000535574633 435337030 /nfs/dbraw/zinc/33/70/30/435337030.db2.gz NFHUBYVCSQCZSS-UHFFFAOYSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1[nH]c(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)[nH+]c1C ZINC000639545745 435338510 /nfs/dbraw/zinc/33/85/10/435338510.db2.gz ADAGHFOOIDPQJJ-OAHLLOKOSA-N 2 2 316.424 3.044 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643508884 435338591 /nfs/dbraw/zinc/33/85/91/435338591.db2.gz QRLHQXPUYSGAPU-DNVCBOLYSA-N 3 2 303.494 3.130 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1 ZINC000567679437 435342688 /nfs/dbraw/zinc/34/26/88/435342688.db2.gz WZIATAOHBJNRAV-WFASDCNBSA-N 2 2 318.383 3.019 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000643527588 435343130 /nfs/dbraw/zinc/34/31/30/435343130.db2.gz OUWZVRWTJQWTAJ-WBMJQRKESA-N 2 2 319.246 3.475 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@@H+]1C1CC1 ZINC000643532804 435344447 /nfs/dbraw/zinc/34/44/47/435344447.db2.gz KUBIGMQJELKKBY-MRRJBJDNSA-N 2 2 315.461 3.086 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)C[N@H+]1C1CC1 ZINC000643532804 435344449 /nfs/dbraw/zinc/34/44/49/435344449.db2.gz KUBIGMQJELKKBY-MRRJBJDNSA-N 2 2 315.461 3.086 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000643526640 435344891 /nfs/dbraw/zinc/34/48/91/435344891.db2.gz CVHLFHHCFIOIPF-QFBILLFUSA-N 3 2 321.484 3.316 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](C)c1nc2ccccc2s1 ZINC000643537691 435345897 /nfs/dbraw/zinc/34/58/97/435345897.db2.gz OIVCKARISRLMFH-NDBYEHHHSA-N 2 2 307.438 3.078 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643537894 435346324 /nfs/dbraw/zinc/34/63/24/435346324.db2.gz UBZQVKGJHYESPY-OBJOEFQTSA-N 2 2 302.340 3.029 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000643537532 435346345 /nfs/dbraw/zinc/34/63/45/435346345.db2.gz KXQRLRHTQHMXSR-WXHSDQCUSA-N 2 2 318.408 3.394 20 0 DGADLP c1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ccccn2)cc1 ZINC000643547653 435348335 /nfs/dbraw/zinc/34/83/35/435348335.db2.gz ITUHRKLONGMOGX-PKOBYXMFSA-N 2 2 307.441 3.435 20 0 DGADLP Clc1cnc2oc(C[NH2+]Cc3c[nH+]c4n3CCCC4)cc2c1 ZINC000648577550 435348601 /nfs/dbraw/zinc/34/86/01/435348601.db2.gz BYWFNJXSUJBZKU-UHFFFAOYSA-N 2 2 316.792 3.304 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2ccccn2)cc1 ZINC000643547650 435349274 /nfs/dbraw/zinc/34/92/74/435349274.db2.gz ITUHRKLONGMOGX-HKUYNNGSSA-N 2 2 307.441 3.435 20 0 DGADLP Fc1ccc(C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)cc1 ZINC000643538710 435349958 /nfs/dbraw/zinc/34/99/58/435349958.db2.gz SHMMKTYQOZZPDN-GBESFXJTSA-N 2 2 316.395 3.399 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000512297209 435352516 /nfs/dbraw/zinc/35/25/16/435352516.db2.gz VZAKGWMJGWXJJI-OLZOCXBDSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000512297209 435352520 /nfs/dbraw/zinc/35/25/20/435352520.db2.gz VZAKGWMJGWXJJI-OLZOCXBDSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H]([NH2+]CC(=O)c1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581818 435356634 /nfs/dbraw/zinc/35/66/34/435356634.db2.gz YZAIKFMUBXFJHK-HUUCEWRRSA-N 2 2 318.436 3.251 20 0 DGADLP C[C@@H]([NH2+]CC(=O)c1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581818 435356639 /nfs/dbraw/zinc/35/66/39/435356639.db2.gz YZAIKFMUBXFJHK-HUUCEWRRSA-N 2 2 318.436 3.251 20 0 DGADLP CC[C@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481041913 435407841 /nfs/dbraw/zinc/40/78/41/435407841.db2.gz BGFNPXVSKSJNMA-MOPGFXCFSA-N 2 2 304.478 3.474 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1nc2c(s1)CCCC2 ZINC000536774707 435411302 /nfs/dbraw/zinc/41/13/02/435411302.db2.gz CBZWJPCOJMPGCC-ZDUSSCGKSA-N 2 2 304.463 3.349 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2noc(-c3cccs3)n2)c[nH+]1 ZINC000648767078 435414873 /nfs/dbraw/zinc/41/48/73/435414873.db2.gz OQCZNOJNKSZRNW-UHFFFAOYSA-N 2 2 314.414 3.224 20 0 DGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000648767557 435415460 /nfs/dbraw/zinc/41/54/60/435415460.db2.gz XMDGYNUQTOWJKZ-CYBMUJFWSA-N 2 2 323.400 3.425 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000648780290 435419486 /nfs/dbraw/zinc/41/94/86/435419486.db2.gz APHJPFAOZXOEQU-CXAGYDPISA-N 2 2 311.385 3.153 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000648780290 435419490 /nfs/dbraw/zinc/41/94/90/435419490.db2.gz APHJPFAOZXOEQU-CXAGYDPISA-N 2 2 311.385 3.153 20 0 DGADLP C[C@@H](CCO)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622971 435366159 /nfs/dbraw/zinc/36/61/59/435366159.db2.gz ZIJFZAIWJZOWKY-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CCO)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622971 435366161 /nfs/dbraw/zinc/36/61/61/435366161.db2.gz ZIJFZAIWJZOWKY-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000480220634 435368403 /nfs/dbraw/zinc/36/84/03/435368403.db2.gz DGCAUUOZLCUQQO-ZACQAIPSSA-N 2 2 304.478 3.399 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000480268797 435373512 /nfs/dbraw/zinc/37/35/12/435373512.db2.gz UYVDEAFHDATEHB-KKUMJFAQSA-N 2 2 310.507 3.460 20 0 DGADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000513361820 435384598 /nfs/dbraw/zinc/38/45/98/435384598.db2.gz PNXFWRONKOSEFB-ABCZVMIZSA-N 2 2 322.880 3.130 20 0 DGADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000513361820 435384600 /nfs/dbraw/zinc/38/46/00/435384600.db2.gz PNXFWRONKOSEFB-ABCZVMIZSA-N 2 2 322.880 3.130 20 0 DGADLP C[C@H]1OCC[C@H]1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000639675270 435389960 /nfs/dbraw/zinc/38/99/60/435389960.db2.gz DGJKKTPATAJLFP-ZBFHGGJFSA-N 2 2 313.445 3.242 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701423 435391298 /nfs/dbraw/zinc/39/12/98/435391298.db2.gz ZNNCRBNPFXZPIA-WMZOPIPTSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701423 435391304 /nfs/dbraw/zinc/39/13/04/435391304.db2.gz ZNNCRBNPFXZPIA-WMZOPIPTSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cscn1 ZINC000536626245 435396395 /nfs/dbraw/zinc/39/63/95/435396395.db2.gz PZVQMWCOBBXKCV-OAHLLOKOSA-N 2 2 323.506 3.076 20 0 DGADLP CC(C)c1[nH+]c(CN[C@@H]2C[C@@H](C)n3cc[nH+]c32)c2ccccn21 ZINC000568522405 435445433 /nfs/dbraw/zinc/44/54/33/435445433.db2.gz TXERLMKPVISEAV-ZIAGYGMSSA-N 2 2 309.417 3.450 20 0 DGADLP Cc1noc(C2CCC([NH2+]CC[N@H+]3[C@H](C)CCC[C@@H]3C)CC2)n1 ZINC000644536948 435449439 /nfs/dbraw/zinc/44/94/39/435449439.db2.gz CKYHUZYPNIAVAB-CBHXASLJSA-N 2 2 320.481 3.257 20 0 DGADLP Cc1noc(C2CCC([NH2+]CC[N@@H+]3[C@H](C)CCC[C@@H]3C)CC2)n1 ZINC000644536948 435449444 /nfs/dbraw/zinc/44/94/44/435449444.db2.gz CKYHUZYPNIAVAB-CBHXASLJSA-N 2 2 320.481 3.257 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1coc2ccccc12 ZINC000644566664 435460167 /nfs/dbraw/zinc/46/01/67/435460167.db2.gz HEWNQXNFKILMDV-SFHVURJKSA-N 2 2 324.424 3.015 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1coc2ccccc12 ZINC000644566664 435460171 /nfs/dbraw/zinc/46/01/71/435460171.db2.gz HEWNQXNFKILMDV-SFHVURJKSA-N 2 2 324.424 3.015 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000515350634 435477370 /nfs/dbraw/zinc/47/73/70/435477370.db2.gz TVTMMCNFDSXAFF-IBGZPJMESA-N 2 2 324.403 3.184 20 0 DGADLP CCCC1(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000516175049 435516948 /nfs/dbraw/zinc/51/69/48/435516948.db2.gz BFYYXTDCKBSOEX-INIZCTEOSA-N 2 2 315.461 3.184 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000539050670 435536733 /nfs/dbraw/zinc/53/67/33/435536733.db2.gz KIJYCVQQTNYQOS-YSIASYRMSA-N 2 2 316.489 3.346 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000539050670 435536737 /nfs/dbraw/zinc/53/67/37/435536737.db2.gz KIJYCVQQTNYQOS-YSIASYRMSA-N 2 2 316.489 3.346 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1(CO)CCC1 ZINC000644835177 435523764 /nfs/dbraw/zinc/52/37/64/435523764.db2.gz WTAIDKCFCNUFJK-MRXNPFEDSA-N 2 2 319.474 3.211 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CCc2c(C)noc2C)CC1 ZINC000639986294 435482151 /nfs/dbraw/zinc/48/21/51/435482151.db2.gz LJMJSZFRMFIWGZ-UHFFFAOYSA-N 2 2 305.466 3.174 20 0 DGADLP CC(C)C[C@@H](C[NH2+]CC1(O)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000644678103 435486064 /nfs/dbraw/zinc/48/60/64/435486064.db2.gz ZYVGKKJOTDHLHL-WMZOPIPTSA-N 2 2 304.478 3.257 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964793 435488546 /nfs/dbraw/zinc/48/85/46/435488546.db2.gz SZOCYTBOVKKKQJ-MDZRGWNJSA-N 2 2 318.505 3.472 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964793 435488550 /nfs/dbraw/zinc/48/85/50/435488550.db2.gz SZOCYTBOVKKKQJ-MDZRGWNJSA-N 2 2 318.505 3.472 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000640015180 435491113 /nfs/dbraw/zinc/49/11/13/435491113.db2.gz GJLFJRVUVYYGSW-UHFFFAOYSA-N 2 2 302.462 3.456 20 0 DGADLP CCc1ccc2[nH+]ccc(NC3CC[NH+](CC(F)F)CC3)c2c1 ZINC000649257146 435549877 /nfs/dbraw/zinc/54/98/77/435549877.db2.gz YBQQOVSCVXZGPF-UHFFFAOYSA-N 2 2 319.399 3.361 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000569846230 435567672 /nfs/dbraw/zinc/56/76/72/435567672.db2.gz GALKEDPLCTZBMF-WMZOPIPTSA-N 2 2 304.478 3.474 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000569846230 435567675 /nfs/dbraw/zinc/56/76/75/435567675.db2.gz GALKEDPLCTZBMF-WMZOPIPTSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N3CCC([NH+]4CCCCC4)CC3)c2c1C ZINC000645129096 435574029 /nfs/dbraw/zinc/57/40/29/435574029.db2.gz JUSJSBUIEUWTRK-UHFFFAOYSA-N 2 2 313.449 3.029 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)n1C ZINC000569940515 435574221 /nfs/dbraw/zinc/57/42/21/435574221.db2.gz CAJCZRCEBRQEHC-IBGZPJMESA-N 2 2 306.413 3.311 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569972374 435577381 /nfs/dbraw/zinc/57/73/81/435577381.db2.gz ZOZZPODQGLOFLS-STQMWFEESA-N 2 2 313.272 3.467 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569972374 435577384 /nfs/dbraw/zinc/57/73/84/435577384.db2.gz ZOZZPODQGLOFLS-STQMWFEESA-N 2 2 313.272 3.467 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649407774 435579519 /nfs/dbraw/zinc/57/95/19/435579519.db2.gz UFWYPIWTAJJXRC-GUDVDZBRSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649407774 435579526 /nfs/dbraw/zinc/57/95/26/435579526.db2.gz UFWYPIWTAJJXRC-GUDVDZBRSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649407774 435579530 /nfs/dbraw/zinc/57/95/30/435579530.db2.gz UFWYPIWTAJJXRC-GUDVDZBRSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649407774 435579536 /nfs/dbraw/zinc/57/95/36/435579536.db2.gz UFWYPIWTAJJXRC-GUDVDZBRSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649413684 435580207 /nfs/dbraw/zinc/58/02/07/435580207.db2.gz ZJHIMQCICYQGEK-CRAIPNDOSA-N 2 2 312.461 3.364 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649413684 435580209 /nfs/dbraw/zinc/58/02/09/435580209.db2.gz ZJHIMQCICYQGEK-CRAIPNDOSA-N 2 2 312.461 3.364 20 0 DGADLP COc1cccc(-c2nc(C[NH+]3CCC(C)([NH3+])CC3)cs2)c1 ZINC000649415994 435582365 /nfs/dbraw/zinc/58/23/65/435582365.db2.gz GSQXODUFCAWDPD-UHFFFAOYSA-N 2 2 317.458 3.132 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000649415267 435582638 /nfs/dbraw/zinc/58/26/38/435582638.db2.gz SJIWFUVSOLSRTR-ZBFHGGJFSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000649415267 435582644 /nfs/dbraw/zinc/58/26/44/435582644.db2.gz SJIWFUVSOLSRTR-ZBFHGGJFSA-N 2 2 307.507 3.450 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000517223361 435582988 /nfs/dbraw/zinc/58/29/88/435582988.db2.gz UTYFDGWOGBATOG-AZUAARDMSA-N 2 2 323.440 3.228 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414932 435583525 /nfs/dbraw/zinc/58/35/25/435583525.db2.gz AEFHKOUPFNXOFH-QLFBSQMISA-N 2 2 305.466 3.497 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414932 435583529 /nfs/dbraw/zinc/58/35/29/435583529.db2.gz AEFHKOUPFNXOFH-QLFBSQMISA-N 2 2 305.466 3.497 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000649419801 435583658 /nfs/dbraw/zinc/58/36/58/435583658.db2.gz MZNQHJPXAKASPA-LJQANCHMSA-N 2 2 311.429 3.226 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000649419801 435583660 /nfs/dbraw/zinc/58/36/60/435583660.db2.gz MZNQHJPXAKASPA-LJQANCHMSA-N 2 2 311.429 3.226 20 0 DGADLP CSc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000517246927 435586889 /nfs/dbraw/zinc/58/68/89/435586889.db2.gz CZOHKEDXJSPXTC-KRWDZBQOSA-N 2 2 320.502 3.095 20 0 DGADLP CSc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000517246927 435586892 /nfs/dbraw/zinc/58/68/92/435586892.db2.gz CZOHKEDXJSPXTC-KRWDZBQOSA-N 2 2 320.502 3.095 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](C4CCCC4)CC3)c2c1C ZINC000645184478 435587692 /nfs/dbraw/zinc/58/76/92/435587692.db2.gz SOALOEILSKWHHV-UHFFFAOYSA-N 2 2 313.449 3.394 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000644901942 435537331 /nfs/dbraw/zinc/53/73/31/435537331.db2.gz MUOZPHHOLFJLNJ-SFHVURJKSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000644901942 435537335 /nfs/dbraw/zinc/53/73/35/435537335.db2.gz MUOZPHHOLFJLNJ-SFHVURJKSA-N 2 2 312.461 3.170 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C[NH+]1CCOCC1 ZINC000484149379 435540351 /nfs/dbraw/zinc/54/03/51/435540351.db2.gz WZWQDLQKFVOQLI-IRXDYDNUSA-N 2 2 316.489 3.184 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(CC)CC ZINC000540595299 435609765 /nfs/dbraw/zinc/60/97/65/435609765.db2.gz YMIBYGWWZGYPAV-IRXDYDNUSA-N 2 2 315.461 3.450 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000649537404 435617734 /nfs/dbraw/zinc/61/77/34/435617734.db2.gz DRHGZJXJMPLQMI-SFHVURJKSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000649537404 435617737 /nfs/dbraw/zinc/61/77/37/435617737.db2.gz DRHGZJXJMPLQMI-SFHVURJKSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000649537404 435617739 /nfs/dbraw/zinc/61/77/39/435617739.db2.gz DRHGZJXJMPLQMI-SFHVURJKSA-N 2 2 317.477 3.319 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834248 435620502 /nfs/dbraw/zinc/62/05/02/435620502.db2.gz WGLSSAXLMOVZIG-IUODEOHRSA-N 2 2 304.825 3.278 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834248 435620507 /nfs/dbraw/zinc/62/05/07/435620507.db2.gz WGLSSAXLMOVZIG-IUODEOHRSA-N 2 2 304.825 3.278 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000649546598 435622519 /nfs/dbraw/zinc/62/25/19/435622519.db2.gz UZAZYPYIFSPHSH-KRWDZBQOSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000649546598 435622520 /nfs/dbraw/zinc/62/25/20/435622520.db2.gz UZAZYPYIFSPHSH-KRWDZBQOSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000649546598 435622526 /nfs/dbraw/zinc/62/25/26/435622526.db2.gz UZAZYPYIFSPHSH-KRWDZBQOSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000649546598 435622529 /nfs/dbraw/zinc/62/25/29/435622529.db2.gz UZAZYPYIFSPHSH-KRWDZBQOSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000649546598 435622531 /nfs/dbraw/zinc/62/25/31/435622531.db2.gz UZAZYPYIFSPHSH-KRWDZBQOSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000649546598 435622535 /nfs/dbraw/zinc/62/25/35/435622535.db2.gz UZAZYPYIFSPHSH-KRWDZBQOSA-N 2 2 317.477 3.033 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518156173 435627005 /nfs/dbraw/zinc/62/70/05/435627005.db2.gz ILZWPLYKVMYDCM-GGPKGHCWSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518156173 435627009 /nfs/dbraw/zinc/62/70/09/435627009.db2.gz ILZWPLYKVMYDCM-GGPKGHCWSA-N 2 2 315.505 3.286 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(C(C)(C)C)no1 ZINC000640532601 435598913 /nfs/dbraw/zinc/59/89/13/435598913.db2.gz UIUBFQHQSOJOLO-UHFFFAOYSA-N 2 2 308.470 3.065 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(C(C)(C)C)no1 ZINC000640532601 435598919 /nfs/dbraw/zinc/59/89/19/435598919.db2.gz UIUBFQHQSOJOLO-UHFFFAOYSA-N 2 2 308.470 3.065 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000570279634 435604811 /nfs/dbraw/zinc/60/48/11/435604811.db2.gz JSTSSJJCNPQOPF-UXHICEINSA-N 2 2 324.472 3.287 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000570279634 435604815 /nfs/dbraw/zinc/60/48/15/435604815.db2.gz JSTSSJJCNPQOPF-UXHICEINSA-N 2 2 324.472 3.287 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000649610267 435641955 /nfs/dbraw/zinc/64/19/55/435641955.db2.gz MPWKFBTWJWMVFK-IUODEOHRSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000649610267 435641959 /nfs/dbraw/zinc/64/19/59/435641959.db2.gz MPWKFBTWJWMVFK-IUODEOHRSA-N 2 2 317.260 3.101 20 0 DGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000570708629 435643742 /nfs/dbraw/zinc/64/37/42/435643742.db2.gz HYDZCBHWLBEFCC-FGTMMUONSA-N 2 2 311.429 3.352 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000570832067 435654467 /nfs/dbraw/zinc/65/44/67/435654467.db2.gz OUSWMAFQINJCRC-ROUUACIJSA-N 2 2 323.440 3.312 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000548035454 435663172 /nfs/dbraw/zinc/66/31/72/435663172.db2.gz KGJLFYIVWAYLJC-MGPQQGTHSA-N 2 2 312.417 3.277 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)cc2)c1C ZINC000519178641 435672986 /nfs/dbraw/zinc/67/29/86/435672986.db2.gz MNHMCDGWGYGNCL-GFCCVEGCSA-N 2 2 323.400 3.030 20 0 DGADLP Cc1ccc(Cn2cc(C[N@@H+](C)C3CCCCC3)nn2)c(C)[nH+]1 ZINC000641095574 435690802 /nfs/dbraw/zinc/69/08/02/435690802.db2.gz IKRLNZOXWDGFOU-UHFFFAOYSA-N 2 2 313.449 3.103 20 0 DGADLP Cc1ccc(Cn2cc(C[N@H+](C)C3CCCCC3)nn2)c(C)[nH+]1 ZINC000641095574 435690807 /nfs/dbraw/zinc/69/08/07/435690807.db2.gz IKRLNZOXWDGFOU-UHFFFAOYSA-N 2 2 313.449 3.103 20 0 DGADLP CN(c1ccccc1)c1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000571305891 435696410 /nfs/dbraw/zinc/69/64/10/435696410.db2.gz VCEMADKNHKMXSI-LSDHHAIUSA-N 2 2 311.433 3.174 20 0 DGADLP Cc1ccccc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000548918456 435728778 /nfs/dbraw/zinc/72/87/78/435728778.db2.gz SEGNEFVXOJYEJM-SFHVURJKSA-N 2 2 323.440 3.112 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000520230721 435731396 /nfs/dbraw/zinc/73/13/96/435731396.db2.gz ZYRPWPGLZQSCHF-ICSRJNTNSA-N 2 2 322.452 3.404 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000520230721 435731401 /nfs/dbraw/zinc/73/14/01/435731401.db2.gz ZYRPWPGLZQSCHF-ICSRJNTNSA-N 2 2 322.452 3.404 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651436050 435732184 /nfs/dbraw/zinc/73/21/84/435732184.db2.gz DLYVGZVXZSQVSC-RCCFBDPRSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651436050 435732192 /nfs/dbraw/zinc/73/21/92/435732192.db2.gz DLYVGZVXZSQVSC-RCCFBDPRSA-N 2 2 302.462 3.197 20 0 DGADLP C[N@@H+]1CCC[C@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1cccs1 ZINC000641394295 435734186 /nfs/dbraw/zinc/73/41/86/435734186.db2.gz LNLVETUQGNAGCV-RHSMWYFYSA-N 2 2 317.458 3.130 20 0 DGADLP C[N@H+]1CCC[C@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1cccs1 ZINC000641394295 435734191 /nfs/dbraw/zinc/73/41/91/435734191.db2.gz LNLVETUQGNAGCV-RHSMWYFYSA-N 2 2 317.458 3.130 20 0 DGADLP CCc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCC3)cs2)cc1 ZINC000571806099 435739811 /nfs/dbraw/zinc/73/98/11/435739811.db2.gz JPIROXLWVJCDLN-UHFFFAOYSA-N 2 2 301.459 3.344 20 0 DGADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655711345 435742203 /nfs/dbraw/zinc/74/22/03/435742203.db2.gz ICZGPFQKSHYEFI-UFYCRDLUSA-N 2 2 314.473 3.166 20 0 DGADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655711342 435743330 /nfs/dbraw/zinc/74/33/30/435743330.db2.gz ICZGPFQKSHYEFI-AABGKKOBSA-N 2 2 314.473 3.166 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000655710636 435744459 /nfs/dbraw/zinc/74/44/59/435744459.db2.gz BEASTNNKKVTOTD-ICSRJNTNSA-N 2 2 314.473 3.289 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CCCn2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000655719047 435747468 /nfs/dbraw/zinc/74/74/68/435747468.db2.gz OJTIHPBMKKRAQH-WMZOPIPTSA-N 2 2 312.461 3.218 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CCCn2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000655719047 435747473 /nfs/dbraw/zinc/74/74/73/435747473.db2.gz OJTIHPBMKKRAQH-WMZOPIPTSA-N 2 2 312.461 3.218 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908577 435751177 /nfs/dbraw/zinc/75/11/77/435751177.db2.gz RRNJFQZKSKFSQD-INIZCTEOSA-N 2 2 303.356 3.412 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908577 435751183 /nfs/dbraw/zinc/75/11/83/435751183.db2.gz RRNJFQZKSKFSQD-INIZCTEOSA-N 2 2 303.356 3.412 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664659657 435755153 /nfs/dbraw/zinc/75/51/53/435755153.db2.gz ZUJGAMONQCSBCN-KRWDZBQOSA-N 2 2 313.445 3.090 20 0 DGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735361 435758672 /nfs/dbraw/zinc/75/86/72/435758672.db2.gz HWMRLXRQIKVJFM-HKUYNNGSSA-N 2 2 318.436 3.046 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063802 435759377 /nfs/dbraw/zinc/75/93/77/435759377.db2.gz BIZLFTOKGOQDFL-KDOFPFPSSA-N 2 2 317.408 3.183 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063802 435759381 /nfs/dbraw/zinc/75/93/81/435759381.db2.gz BIZLFTOKGOQDFL-KDOFPFPSSA-N 2 2 317.408 3.183 20 0 DGADLP c1cn(CCCC2CC[NH+](CCC[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000645853150 435706887 /nfs/dbraw/zinc/70/68/87/435706887.db2.gz WUQJTLQQKRCDKP-GOSISDBHSA-N 2 2 305.466 3.192 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655738559 435762181 /nfs/dbraw/zinc/76/21/81/435762181.db2.gz XRHBPBOURCJHGT-UYAOXDASSA-N 2 2 314.473 3.215 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822134 435714855 /nfs/dbraw/zinc/71/48/55/435714855.db2.gz ZIAXWLTUGOVURX-MRXNPFEDSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822134 435714859 /nfs/dbraw/zinc/71/48/59/435714859.db2.gz ZIAXWLTUGOVURX-MRXNPFEDSA-N 2 2 311.429 3.324 20 0 DGADLP CC(C)c1nc(C[NH2+]CCCCn2cc[nH+]c2)c2ccccn21 ZINC000651685206 435789701 /nfs/dbraw/zinc/78/97/01/435789701.db2.gz NRSFGEAOFDLILT-UHFFFAOYSA-N 2 2 311.433 3.224 20 0 DGADLP C[C@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693652 435792261 /nfs/dbraw/zinc/79/22/61/435792261.db2.gz YMVRDCKOKKNHEG-QFBILLFUSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC2CCC1CC2 ZINC000655780730 435793613 /nfs/dbraw/zinc/79/36/13/435793613.db2.gz GDYAMIJYCVBNTA-KLZJBMHYSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000641713350 435795684 /nfs/dbraw/zinc/79/56/84/435795684.db2.gz SDGFKNIIBICRLM-SJORKVTESA-N 3 2 307.526 3.103 20 0 DGADLP COc1cc(OC)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000651611790 435766790 /nfs/dbraw/zinc/76/67/90/435766790.db2.gz LOWBWUPSUISNMN-UHFFFAOYSA-N 2 2 324.440 3.148 20 0 DGADLP COc1cc(OC)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000651611790 435766802 /nfs/dbraw/zinc/76/68/02/435766802.db2.gz LOWBWUPSUISNMN-UHFFFAOYSA-N 2 2 324.440 3.148 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655748785 435768949 /nfs/dbraw/zinc/76/89/49/435768949.db2.gz JGJRHRDGVZANBB-FOIQADDNSA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000655748785 435768957 /nfs/dbraw/zinc/76/89/57/435768957.db2.gz JGJRHRDGVZANBB-FOIQADDNSA-N 2 2 324.472 3.061 20 0 DGADLP CC1(C)CC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000655748327 435769914 /nfs/dbraw/zinc/76/99/14/435769914.db2.gz WXJKBBYRSLGVPY-QGZVFWFLSA-N 2 2 308.510 3.434 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000520812836 435771688 /nfs/dbraw/zinc/77/16/88/435771688.db2.gz GHVXRILFVGPVMQ-ZBFHGGJFSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000520812836 435771696 /nfs/dbraw/zinc/77/16/96/435771696.db2.gz GHVXRILFVGPVMQ-ZBFHGGJFSA-N 2 2 320.864 3.170 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000491593820 435777915 /nfs/dbraw/zinc/77/79/15/435777915.db2.gz JVGQZHRAVOHROU-JTQLQIEISA-N 2 2 305.249 3.289 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000491595658 435778355 /nfs/dbraw/zinc/77/83/55/435778355.db2.gz CGVKFOKRBSNCPY-UHFFFAOYSA-N 2 2 300.315 3.038 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000641656160 435779732 /nfs/dbraw/zinc/77/97/32/435779732.db2.gz CPAUFPDEYSQZPX-KRWDZBQOSA-N 2 2 317.477 3.070 20 0 DGADLP Fc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771195 435785964 /nfs/dbraw/zinc/78/59/64/435785964.db2.gz CMHWJPUVRYWTTL-BEFAXECRSA-N 2 2 318.436 3.046 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cs2)cc1 ZINC000641802470 435829127 /nfs/dbraw/zinc/82/91/27/435829127.db2.gz LKZXHGPDFPYYPW-HUUCEWRRSA-N 2 2 317.458 3.034 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cn2)[C@H]1C ZINC000641809260 435830993 /nfs/dbraw/zinc/83/09/93/435830993.db2.gz QFNGLARZGKCKQO-SUNKGSAMSA-N 2 2 301.356 3.048 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@H]1C ZINC000641809260 435830996 /nfs/dbraw/zinc/83/09/96/435830996.db2.gz QFNGLARZGKCKQO-SUNKGSAMSA-N 2 2 301.356 3.048 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845455 435836173 /nfs/dbraw/zinc/83/61/73/435836173.db2.gz HJROAHWGZGGAOI-BXUZGUMPSA-N 2 2 314.351 3.114 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845455 435836178 /nfs/dbraw/zinc/83/61/78/435836178.db2.gz HJROAHWGZGGAOI-BXUZGUMPSA-N 2 2 314.351 3.114 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655849080 435838720 /nfs/dbraw/zinc/83/87/20/435838720.db2.gz MNGSXGVMKIPWOC-ZOCIIQOWSA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655849080 435838728 /nfs/dbraw/zinc/83/87/28/435838728.db2.gz MNGSXGVMKIPWOC-ZOCIIQOWSA-N 2 2 315.461 3.313 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655849190 435839105 /nfs/dbraw/zinc/83/91/05/435839105.db2.gz PWPXPAJZQBJEAM-RLLQIKCJSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655849190 435839112 /nfs/dbraw/zinc/83/91/12/435839112.db2.gz PWPXPAJZQBJEAM-RLLQIKCJSA-N 2 2 314.473 3.159 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849773 435839638 /nfs/dbraw/zinc/83/96/38/435839638.db2.gz YOCHVNKETAYAPD-OKZBNKHCSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849773 435839644 /nfs/dbraw/zinc/83/96/44/435839644.db2.gz YOCHVNKETAYAPD-OKZBNKHCSA-N 2 2 300.446 3.376 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1C(C)C ZINC000655848532 435839865 /nfs/dbraw/zinc/83/98/65/435839865.db2.gz HINXQAJQFMZOKO-JCGIZDLHSA-N 2 2 304.482 3.440 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cnn1C(C)C ZINC000655848532 435839868 /nfs/dbraw/zinc/83/98/68/435839868.db2.gz HINXQAJQFMZOKO-JCGIZDLHSA-N 2 2 304.482 3.440 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848991 435840417 /nfs/dbraw/zinc/84/04/17/435840417.db2.gz NPDHNSJJKRVWOY-WNYOCNMUSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848991 435840421 /nfs/dbraw/zinc/84/04/21/435840421.db2.gz NPDHNSJJKRVWOY-WNYOCNMUSA-N 2 2 309.457 3.242 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000655849186 435840477 /nfs/dbraw/zinc/84/04/77/435840477.db2.gz PWHWBVPPDJCSMB-NJAFHUGGSA-N 2 2 304.482 3.002 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000655849186 435840482 /nfs/dbraw/zinc/84/04/82/435840482.db2.gz PWHWBVPPDJCSMB-NJAFHUGGSA-N 2 2 304.482 3.002 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656407 435841747 /nfs/dbraw/zinc/84/17/47/435841747.db2.gz UDSYKPLHZJQXDZ-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656407 435841753 /nfs/dbraw/zinc/84/17/53/435841753.db2.gz UDSYKPLHZJQXDZ-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656407 435841758 /nfs/dbraw/zinc/84/17/58/435841758.db2.gz UDSYKPLHZJQXDZ-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656407 435841765 /nfs/dbraw/zinc/84/17/65/435841765.db2.gz UDSYKPLHZJQXDZ-LJQANCHMSA-N 2 2 313.420 3.292 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656405 435841910 /nfs/dbraw/zinc/84/19/10/435841910.db2.gz UDSYKPLHZJQXDZ-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656405 435841916 /nfs/dbraw/zinc/84/19/16/435841916.db2.gz UDSYKPLHZJQXDZ-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656405 435841922 /nfs/dbraw/zinc/84/19/22/435841922.db2.gz UDSYKPLHZJQXDZ-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000660656405 435841930 /nfs/dbraw/zinc/84/19/30/435841930.db2.gz UDSYKPLHZJQXDZ-IBGZPJMESA-N 2 2 313.420 3.292 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696715 435844819 /nfs/dbraw/zinc/84/48/19/435844819.db2.gz IDHKZEGZHUTONN-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696715 435844825 /nfs/dbraw/zinc/84/48/25/435844825.db2.gz IDHKZEGZHUTONN-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551696715 435844831 /nfs/dbraw/zinc/84/48/31/435844831.db2.gz IDHKZEGZHUTONN-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551696715 435844836 /nfs/dbraw/zinc/84/48/36/435844836.db2.gz IDHKZEGZHUTONN-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655856539 435846246 /nfs/dbraw/zinc/84/62/46/435846246.db2.gz NOQUCJCEUZCSOX-IAGOWNOFSA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655856539 435846252 /nfs/dbraw/zinc/84/62/52/435846252.db2.gz NOQUCJCEUZCSOX-IAGOWNOFSA-N 2 2 306.425 3.331 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655856554 435847040 /nfs/dbraw/zinc/84/70/40/435847040.db2.gz NQEYEYBORGCPAC-MSOLQXFVSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655856554 435847042 /nfs/dbraw/zinc/84/70/42/435847042.db2.gz NQEYEYBORGCPAC-MSOLQXFVSA-N 2 2 311.429 3.047 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857727 435848795 /nfs/dbraw/zinc/84/87/95/435848795.db2.gz VBCONFBVQHXRGF-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857727 435848801 /nfs/dbraw/zinc/84/88/01/435848801.db2.gz VBCONFBVQHXRGF-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP COc1ncc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000551787859 435851463 /nfs/dbraw/zinc/85/14/63/435851463.db2.gz NIFLVBIMOATLPG-LBPRGKRZSA-N 2 2 308.813 3.071 20 0 DGADLP Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c(C)n1 ZINC000660674746 435853753 /nfs/dbraw/zinc/85/37/53/435853753.db2.gz DBYKMDJVDQMKGX-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CC[NH+]1CCC(Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000642073488 435857481 /nfs/dbraw/zinc/85/74/81/435857481.db2.gz JBNPORCITUYTFL-UHFFFAOYSA-N 2 2 313.380 3.146 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000572703568 435858602 /nfs/dbraw/zinc/85/86/02/435858602.db2.gz QVDQXLQTXUJLEJ-INIZCTEOSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000572703568 435858608 /nfs/dbraw/zinc/85/86/08/435858608.db2.gz QVDQXLQTXUJLEJ-INIZCTEOSA-N 2 2 308.510 3.388 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000655942375 435865237 /nfs/dbraw/zinc/86/52/37/435865237.db2.gz PNVBUKFNQQCWKO-UHFFFAOYSA-N 2 2 314.351 3.289 20 0 DGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000655942375 435865244 /nfs/dbraw/zinc/86/52/44/435865244.db2.gz PNVBUKFNQQCWKO-UHFFFAOYSA-N 2 2 314.351 3.289 20 0 DGADLP C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCc1c[nH+]cn1C ZINC000660707052 435865219 /nfs/dbraw/zinc/86/52/19/435865219.db2.gz CBLXHCANBVFKGM-LLVKDONJSA-N 2 2 317.824 3.185 20 0 DGADLP C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000660707052 435865222 /nfs/dbraw/zinc/86/52/22/435865222.db2.gz CBLXHCANBVFKGM-LLVKDONJSA-N 2 2 317.824 3.185 20 0 DGADLP C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCc1c[nH+]cn1C ZINC000660707052 435865227 /nfs/dbraw/zinc/86/52/27/435865227.db2.gz CBLXHCANBVFKGM-LLVKDONJSA-N 2 2 317.824 3.185 20 0 DGADLP C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000660707052 435865231 /nfs/dbraw/zinc/86/52/31/435865231.db2.gz CBLXHCANBVFKGM-LLVKDONJSA-N 2 2 317.824 3.185 20 0 DGADLP C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000660709979 435866796 /nfs/dbraw/zinc/86/67/96/435866796.db2.gz IAVSWFGSATUEMO-GFCCVEGCSA-N 2 2 317.824 3.496 20 0 DGADLP C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000660709979 435866803 /nfs/dbraw/zinc/86/68/03/435866803.db2.gz IAVSWFGSATUEMO-GFCCVEGCSA-N 2 2 317.824 3.496 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616551 435826818 /nfs/dbraw/zinc/82/68/18/435826818.db2.gz MYAMWLUDYQVVCR-MRXNPFEDSA-N 2 2 312.429 3.085 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616551 435826823 /nfs/dbraw/zinc/82/68/23/435826823.db2.gz MYAMWLUDYQVVCR-MRXNPFEDSA-N 2 2 312.429 3.085 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616551 435826828 /nfs/dbraw/zinc/82/68/28/435826828.db2.gz MYAMWLUDYQVVCR-MRXNPFEDSA-N 2 2 312.429 3.085 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660616551 435826831 /nfs/dbraw/zinc/82/68/31/435826831.db2.gz MYAMWLUDYQVVCR-MRXNPFEDSA-N 2 2 312.429 3.085 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000656126144 435897582 /nfs/dbraw/zinc/89/75/82/435897582.db2.gz JYKJZXUHSDYXRN-DOTOQJQBSA-N 2 2 302.466 3.184 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000656126144 435897585 /nfs/dbraw/zinc/89/75/85/435897585.db2.gz JYKJZXUHSDYXRN-DOTOQJQBSA-N 2 2 302.466 3.184 20 0 DGADLP Cc1nn(C)cc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857579 435909119 /nfs/dbraw/zinc/90/91/19/435909119.db2.gz RRBJCFABICXSJY-UHFFFAOYSA-N 2 2 323.444 3.060 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000656193300 435909708 /nfs/dbraw/zinc/90/97/08/435909708.db2.gz FGKAZTADTGBIHO-ZLKJLUDKSA-N 2 2 320.824 3.311 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000656201525 435911010 /nfs/dbraw/zinc/91/10/10/435911010.db2.gz QTHZVIWXTOQHFH-YESZJQIVSA-N 2 2 310.397 3.253 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000656201520 435911077 /nfs/dbraw/zinc/91/10/77/435911077.db2.gz QTHZVIWXTOQHFH-ULQDDVLXSA-N 2 2 310.397 3.253 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656229192 435918897 /nfs/dbraw/zinc/91/88/97/435918897.db2.gz ZOENQXNBYWGEIG-UKRRQHHQSA-N 2 2 302.397 3.141 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656229192 435918899 /nfs/dbraw/zinc/91/88/99/435918899.db2.gz ZOENQXNBYWGEIG-UKRRQHHQSA-N 2 2 302.397 3.141 20 0 DGADLP COC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccc(F)c(F)c1 ZINC000652222719 435925934 /nfs/dbraw/zinc/92/59/34/435925934.db2.gz WATAVSHQTPFJSM-QGZVFWFLSA-N 2 2 314.420 3.220 20 0 DGADLP COC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccc(F)c(F)c1 ZINC000652222719 435925937 /nfs/dbraw/zinc/92/59/37/435925937.db2.gz WATAVSHQTPFJSM-QGZVFWFLSA-N 2 2 314.420 3.220 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000665247560 435929011 /nfs/dbraw/zinc/92/90/11/435929011.db2.gz FIWMMUUADDHIIA-LLVKDONJSA-N 2 2 306.841 3.149 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000656260756 435929435 /nfs/dbraw/zinc/92/94/35/435929435.db2.gz VYZACCPMNPPRKB-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000656260756 435929440 /nfs/dbraw/zinc/92/94/40/435929440.db2.gz VYZACCPMNPPRKB-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656260756 435929443 /nfs/dbraw/zinc/92/94/43/435929443.db2.gz VYZACCPMNPPRKB-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656260756 435929446 /nfs/dbraw/zinc/92/94/46/435929446.db2.gz VYZACCPMNPPRKB-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cncs1 ZINC000665254311 435930067 /nfs/dbraw/zinc/93/00/67/435930067.db2.gz MSNIGPRBFBLOPG-NILFDRSVSA-N 2 2 305.422 3.079 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cncs1 ZINC000665254310 435930538 /nfs/dbraw/zinc/93/05/38/435930538.db2.gz MSNIGPRBFBLOPG-KCPJHIHWSA-N 2 2 305.422 3.079 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000665252427 435930748 /nfs/dbraw/zinc/93/07/48/435930748.db2.gz PHFUPGDCXUOTKN-CEXWTWQISA-N 2 2 307.441 3.194 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000647168739 435958307 /nfs/dbraw/zinc/95/83/07/435958307.db2.gz JXDDLQLMRGDICR-UHFFFAOYSA-N 2 2 312.461 3.143 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(F)F ZINC000647227157 435980174 /nfs/dbraw/zinc/98/01/74/435980174.db2.gz ZTBGRWOHXKLWIA-SNVBAGLBSA-N 2 2 302.331 3.284 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000665282348 435938488 /nfs/dbraw/zinc/93/84/88/435938488.db2.gz WEYJSKFQSSDHCX-QZTJIDSGSA-N 2 2 319.399 3.412 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283928 435940007 /nfs/dbraw/zinc/94/00/07/435940007.db2.gz XLPTVTCCWHXRFP-OLZOCXBDSA-N 2 2 302.340 3.177 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000665296654 435943321 /nfs/dbraw/zinc/94/33/21/435943321.db2.gz VYBMFSKQGKTGES-FZKQIMNGSA-N 2 2 304.384 3.446 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000665296514 435943382 /nfs/dbraw/zinc/94/33/82/435943382.db2.gz UBSAGPXFYPBRQQ-HUUCEWRRSA-N 2 2 300.450 3.056 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000665300517 435944625 /nfs/dbraw/zinc/94/46/25/435944625.db2.gz DGSDSJZPARVOAN-MAUKXSAKSA-N 2 2 322.468 3.240 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000652341185 435954833 /nfs/dbraw/zinc/95/48/33/435954833.db2.gz OGZIMOPAAIZOFN-GYSYKLTISA-N 2 2 302.340 3.061 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)[C@H]1CC[NH3+] ZINC000652355721 435955743 /nfs/dbraw/zinc/95/57/43/435955743.db2.gz FHFKFHHGWXSBSO-DOMZBBRYSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)[C@H]1CC[NH3+] ZINC000652355721 435955746 /nfs/dbraw/zinc/95/57/46/435955746.db2.gz FHFKFHHGWXSBSO-DOMZBBRYSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)CO1 ZINC000647166784 435956353 /nfs/dbraw/zinc/95/63/53/435956353.db2.gz CZCXTAWGEKTGJK-BZUAXINKSA-N 2 2 308.491 3.288 20 0 DGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cc2n(n1)CCCC2 ZINC000647284743 436000549 /nfs/dbraw/zinc/00/05/49/436000549.db2.gz CGJSAURKIDNMGB-AWEZNQCLSA-N 2 2 323.444 3.379 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2n(n1)CCCC2 ZINC000647287592 436000676 /nfs/dbraw/zinc/00/06/76/436000676.db2.gz MOVSHGZFDPUQQJ-HNNXBMFYSA-N 2 2 313.449 3.157 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)c1cc2n(n1)CCCC2)[NH+]1CCCCC1 ZINC000647299737 436008385 /nfs/dbraw/zinc/00/83/85/436008385.db2.gz CAOWUUIECKYXDR-HZPDHXFCSA-N 2 2 304.482 3.135 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691087 436011182 /nfs/dbraw/zinc/01/11/82/436011182.db2.gz CIMPMPPMVNDUKV-SWLSCSKDSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691087 436011185 /nfs/dbraw/zinc/01/11/85/436011185.db2.gz CIMPMPPMVNDUKV-SWLSCSKDSA-N 2 2 318.383 3.057 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000650740034 436011897 /nfs/dbraw/zinc/01/18/97/436011897.db2.gz FHKHGCDZYVQAQW-UONOGXRCSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1nc2c(s1)CCCC2 ZINC000650754116 436019187 /nfs/dbraw/zinc/01/91/87/436019187.db2.gz BKCLKQDVLWNRJE-NSHDSACASA-N 2 2 319.449 3.471 20 0 DGADLP C[NH2+]Cc1ccccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000652606720 436019943 /nfs/dbraw/zinc/01/99/43/436019943.db2.gz WZMZDRFDUJLKJX-UHFFFAOYSA-N 2 2 312.417 3.048 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](c3cncc(F)c3)C3CC3)cn21 ZINC000647364237 436032161 /nfs/dbraw/zinc/03/21/61/436032161.db2.gz WDTFYTKPEAQZRZ-IBGZPJMESA-N 2 2 324.403 3.460 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(F)c1 ZINC000656789131 436048417 /nfs/dbraw/zinc/04/84/17/436048417.db2.gz KFUOEVPNFRUJKI-IEBWSBKVSA-N 2 2 314.404 3.070 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480284 436059147 /nfs/dbraw/zinc/05/91/47/436059147.db2.gz IOFMIAZZDGRTNS-RHSMWYFYSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480284 436059151 /nfs/dbraw/zinc/05/91/51/436059151.db2.gz IOFMIAZZDGRTNS-RHSMWYFYSA-N 2 2 308.853 3.313 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479931 436059870 /nfs/dbraw/zinc/05/98/70/436059870.db2.gz YFUUQLQZBOCZRI-TVLGLLHQSA-N 2 2 306.400 3.442 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479931 436059874 /nfs/dbraw/zinc/05/98/74/436059874.db2.gz YFUUQLQZBOCZRI-TVLGLLHQSA-N 2 2 306.400 3.442 20 0 DGADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480659 436060490 /nfs/dbraw/zinc/06/04/90/436060490.db2.gz WZXDEBPGQUGLRV-GOEBONIOSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480659 436060494 /nfs/dbraw/zinc/06/04/94/436060494.db2.gz WZXDEBPGQUGLRV-GOEBONIOSA-N 2 2 305.491 3.375 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647482377 436063917 /nfs/dbraw/zinc/06/39/17/436063917.db2.gz WYLOYOQZPIPVMM-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647482377 436063921 /nfs/dbraw/zinc/06/39/21/436063921.db2.gz WYLOYOQZPIPVMM-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508561 436068860 /nfs/dbraw/zinc/06/88/60/436068860.db2.gz RLXAFPMKWQYLNS-WBMJQRKESA-N 2 2 320.433 3.102 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)CCO1 ZINC000647508561 436068865 /nfs/dbraw/zinc/06/88/65/436068865.db2.gz RLXAFPMKWQYLNS-WBMJQRKESA-N 2 2 320.433 3.102 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000647530976 436073230 /nfs/dbraw/zinc/07/32/30/436073230.db2.gz SIPHNKPNRXBFHA-UHFFFAOYSA-N 2 2 320.330 3.080 20 0 DGADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1nccc2ccccc21 ZINC000647540546 436078095 /nfs/dbraw/zinc/07/80/95/436078095.db2.gz ZMWINAOIOHWIOW-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1nccc2ccccc21 ZINC000647540546 436078100 /nfs/dbraw/zinc/07/81/00/436078100.db2.gz ZMWINAOIOHWIOW-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000647549429 436080662 /nfs/dbraw/zinc/08/06/62/436080662.db2.gz ZKKWXSJEOFIFDP-LAUBAEHRSA-N 2 2 324.468 3.491 20 0 DGADLP c1cnc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)cn1 ZINC000647554256 436082731 /nfs/dbraw/zinc/08/27/31/436082731.db2.gz VIDCIXROJQUDEU-QGZVFWFLSA-N 2 2 324.428 3.033 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OCC ZINC000647554136 436083080 /nfs/dbraw/zinc/08/30/80/436083080.db2.gz RWZHKVLCIBJICD-GOSISDBHSA-N 2 2 318.461 3.248 20 0 DGADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000647551123 436083165 /nfs/dbraw/zinc/08/31/65/436083165.db2.gz YQNGHKGULRYPIW-CJNGLKHVSA-N 2 2 315.392 3.101 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000657310467 436129675 /nfs/dbraw/zinc/12/96/75/436129675.db2.gz OUECXAUBTXVZLP-UHFFFAOYSA-N 2 2 312.461 3.240 20 0 DGADLP Fc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1OC1CC1 ZINC000657314393 436131944 /nfs/dbraw/zinc/13/19/44/436131944.db2.gz UHYBODYTPFKLIR-LSDHHAIUSA-N 2 2 304.409 3.083 20 0 DGADLP Fc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1OC1CC1 ZINC000657314393 436131951 /nfs/dbraw/zinc/13/19/51/436131951.db2.gz UHYBODYTPFKLIR-LSDHHAIUSA-N 2 2 304.409 3.083 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000647868534 436135689 /nfs/dbraw/zinc/13/56/89/436135689.db2.gz AISSDWZYWSHBSD-CQSZACIVSA-N 2 2 306.784 3.404 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH+]c(N)c2)cc1F ZINC000661658561 436136811 /nfs/dbraw/zinc/13/68/11/436136811.db2.gz DPLWCUDWWPDVDF-OAHLLOKOSA-N 2 2 301.365 3.149 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2Cc2cc[nH+]c(N)c2)cc1F ZINC000661658561 436136816 /nfs/dbraw/zinc/13/68/16/436136816.db2.gz DPLWCUDWWPDVDF-OAHLLOKOSA-N 2 2 301.365 3.149 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000647868533 436136940 /nfs/dbraw/zinc/13/69/40/436136940.db2.gz AISSDWZYWSHBSD-AWEZNQCLSA-N 2 2 306.784 3.404 20 0 DGADLP Cc1cc(CO)cc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH+]1 ZINC000647870064 436139212 /nfs/dbraw/zinc/13/92/12/436139212.db2.gz CMSRNLKOBTUNKF-AWEZNQCLSA-N 2 2 308.385 3.241 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)CCC2 ZINC000657330080 436140120 /nfs/dbraw/zinc/14/01/20/436140120.db2.gz ZICUHVCHQBXJRG-QFBILLFUSA-N 2 2 311.429 3.087 20 0 DGADLP Brc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881200 436140573 /nfs/dbraw/zinc/14/05/73/436140573.db2.gz RSYFYJACKAWBQX-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP Brc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881200 436140575 /nfs/dbraw/zinc/14/05/75/436140575.db2.gz RSYFYJACKAWBQX-SWLSCSKDSA-N 2 2 309.251 3.196 20 0 DGADLP COCc1csc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000657331710 436142026 /nfs/dbraw/zinc/14/20/26/436142026.db2.gz MKNPUAJNLXVOMC-UHFFFAOYSA-N 2 2 315.442 3.493 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903500 436145628 /nfs/dbraw/zinc/14/56/28/436145628.db2.gz KLFGQPAGDMVYEH-SUMWQHHRSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903500 436145633 /nfs/dbraw/zinc/14/56/33/436145633.db2.gz KLFGQPAGDMVYEH-SUMWQHHRSA-N 2 2 308.853 3.313 20 0 DGADLP CO[C@](C)(C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000647911732 436147149 /nfs/dbraw/zinc/14/71/49/436147149.db2.gz ILJIRIROPZHMLO-DNVCBOLYSA-N 2 2 317.477 3.012 20 0 DGADLP CC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1nc(C)cs1 ZINC000657350521 436151193 /nfs/dbraw/zinc/15/11/93/436151193.db2.gz DWKUTYJBXPLUHS-HNNXBMFYSA-N 2 2 313.430 3.273 20 0 DGADLP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(C)([NH3+])CC3)n2)ccc1F ZINC000647925576 436152948 /nfs/dbraw/zinc/15/29/48/436152948.db2.gz OPLUYWFJVODPEM-GFCCVEGCSA-N 2 2 318.396 3.058 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653120254 436112750 /nfs/dbraw/zinc/11/27/50/436112750.db2.gz LRERIWOLFFDHEI-CQSZACIVSA-N 2 2 311.385 3.202 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1CCC[NH2+]CC1 ZINC000653115301 436113643 /nfs/dbraw/zinc/11/36/43/436113643.db2.gz JXHVDEITTIXAKT-CYBMUJFWSA-N 2 2 312.417 3.159 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364007 436159841 /nfs/dbraw/zinc/15/98/41/436159841.db2.gz HNGLEPWGRSLQDA-PXAZEXFGSA-N 2 2 319.836 3.349 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)CNCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657365361 436160870 /nfs/dbraw/zinc/16/08/70/436160870.db2.gz DJNVOFCOHAVEPZ-OAHLLOKOSA-N 2 2 312.461 3.048 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000647959921 436156742 /nfs/dbraw/zinc/15/67/42/436156742.db2.gz UYCOLQBSIIQWGO-YOEHRIQHSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1Cl ZINC000647959921 436156747 /nfs/dbraw/zinc/15/67/47/436156747.db2.gz UYCOLQBSIIQWGO-YOEHRIQHSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000647959921 436156752 /nfs/dbraw/zinc/15/67/52/436156752.db2.gz UYCOLQBSIIQWGO-YOEHRIQHSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000647959921 436156756 /nfs/dbraw/zinc/15/67/56/436156756.db2.gz UYCOLQBSIIQWGO-YOEHRIQHSA-N 2 2 310.869 3.178 20 0 DGADLP Clc1ccc2c(c1Cl)OC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657378160 436164936 /nfs/dbraw/zinc/16/49/36/436164936.db2.gz HRPZUVJIAKCYCO-GFCCVEGCSA-N 2 2 324.211 3.359 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000651358903 436174668 /nfs/dbraw/zinc/17/46/68/436174668.db2.gz QNOIGGCCCQOSFB-LLVKDONJSA-N 2 2 315.808 3.408 20 0 DGADLP C[C@H](CCCCO)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000651358898 436174704 /nfs/dbraw/zinc/17/47/04/436174704.db2.gz OGCBRIGJJMJRFP-CYBMUJFWSA-N 2 2 307.825 3.166 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000648035894 436187226 /nfs/dbraw/zinc/18/72/26/436187226.db2.gz UJFIFNAJHFCVPJ-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000648035894 436187229 /nfs/dbraw/zinc/18/72/29/436187229.db2.gz UJFIFNAJHFCVPJ-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000648035894 436187234 /nfs/dbraw/zinc/18/72/34/436187234.db2.gz UJFIFNAJHFCVPJ-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000648035894 436187238 /nfs/dbraw/zinc/18/72/38/436187238.db2.gz UJFIFNAJHFCVPJ-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000657525843 436233695 /nfs/dbraw/zinc/23/36/95/436233695.db2.gz XNDYQPRJHYIVCG-CQSZACIVSA-N 2 2 312.404 3.293 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000657525843 436233699 /nfs/dbraw/zinc/23/36/99/436233699.db2.gz XNDYQPRJHYIVCG-CQSZACIVSA-N 2 2 312.404 3.293 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523717 436234147 /nfs/dbraw/zinc/23/41/47/436234147.db2.gz IFVORJBGKUBVMF-OAHLLOKOSA-N 2 2 306.498 3.217 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523717 436234152 /nfs/dbraw/zinc/23/41/52/436234152.db2.gz IFVORJBGKUBVMF-OAHLLOKOSA-N 2 2 306.498 3.217 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523880 436234399 /nfs/dbraw/zinc/23/43/99/436234399.db2.gz LQBOQTYFXOLWJY-SFHVURJKSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523880 436234404 /nfs/dbraw/zinc/23/44/04/436234404.db2.gz LQBOQTYFXOLWJY-SFHVURJKSA-N 2 2 312.461 3.143 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OCC ZINC000657525654 436234594 /nfs/dbraw/zinc/23/45/94/436234594.db2.gz UUOMECZOWBONTM-MRXNPFEDSA-N 2 2 320.477 3.446 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OCC ZINC000657525654 436234597 /nfs/dbraw/zinc/23/45/97/436234597.db2.gz UUOMECZOWBONTM-MRXNPFEDSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000657526223 436234646 /nfs/dbraw/zinc/23/46/46/436234646.db2.gz DEXZJOLZTAMSDQ-SFHVURJKSA-N 2 2 301.478 3.118 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000657526223 436234648 /nfs/dbraw/zinc/23/46/48/436234648.db2.gz DEXZJOLZTAMSDQ-SFHVURJKSA-N 2 2 301.478 3.118 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000657526810 436234765 /nfs/dbraw/zinc/23/47/65/436234765.db2.gz MGYBAMYVCIGDAP-DLBZAZTESA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000657526810 436234768 /nfs/dbraw/zinc/23/47/68/436234768.db2.gz MGYBAMYVCIGDAP-DLBZAZTESA-N 2 2 302.462 3.015 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000657526269 436234787 /nfs/dbraw/zinc/23/47/87/436234787.db2.gz FJNHNWVNFUSFES-KRWDZBQOSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cn1 ZINC000657526269 436234792 /nfs/dbraw/zinc/23/47/92/436234792.db2.gz FJNHNWVNFUSFES-KRWDZBQOSA-N 2 2 312.461 3.143 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000657527403 436234975 /nfs/dbraw/zinc/23/49/75/436234975.db2.gz UVVCWOXLSXZXRH-INIZCTEOSA-N 2 2 318.461 3.200 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000657527403 436234977 /nfs/dbraw/zinc/23/49/77/436234977.db2.gz UVVCWOXLSXZXRH-INIZCTEOSA-N 2 2 318.461 3.200 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1c(F)cncc1Br ZINC000657417806 436188814 /nfs/dbraw/zinc/18/88/14/436188814.db2.gz YJQWDXQOPVKKPR-UHFFFAOYSA-N 2 2 324.197 3.019 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000648035892 436189132 /nfs/dbraw/zinc/18/91/32/436189132.db2.gz UJFIFNAJHFCVPJ-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000648035892 436189137 /nfs/dbraw/zinc/18/91/37/436189137.db2.gz UJFIFNAJHFCVPJ-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000648035892 436189141 /nfs/dbraw/zinc/18/91/41/436189141.db2.gz UJFIFNAJHFCVPJ-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000648035892 436189148 /nfs/dbraw/zinc/18/91/48/436189148.db2.gz UJFIFNAJHFCVPJ-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCc1c[nH+]cn1C ZINC000661798632 436192779 /nfs/dbraw/zinc/19/27/79/436192779.db2.gz NVJPSTDZQGMGGD-DYVFJYSZSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCc1c[nH+]cn1C ZINC000661798632 436192784 /nfs/dbraw/zinc/19/27/84/436192784.db2.gz NVJPSTDZQGMGGD-DYVFJYSZSA-N 2 2 319.836 3.078 20 0 DGADLP Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657427245 436194584 /nfs/dbraw/zinc/19/45/84/436194584.db2.gz BJDNSKUFDZFLKI-OAHLLOKOSA-N 2 2 317.820 3.486 20 0 DGADLP C[C@@H]1CC2(C[N@@H+]1Cc1cc(-n3cc[nH+]c3)cs1)CCOCC2 ZINC000648071332 436202699 /nfs/dbraw/zinc/20/26/99/436202699.db2.gz YNELGLISLLTNAS-CQSZACIVSA-N 2 2 317.458 3.325 20 0 DGADLP C[C@@H]1CC2(C[N@H+]1Cc1cc(-n3cc[nH+]c3)cs1)CCOCC2 ZINC000648071332 436202700 /nfs/dbraw/zinc/20/27/00/436202700.db2.gz YNELGLISLLTNAS-CQSZACIVSA-N 2 2 317.458 3.325 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(F)c(F)c1F)C[NH+]1CCCC1 ZINC000657445525 436205758 /nfs/dbraw/zinc/20/57/58/436205758.db2.gz BDNZUPZBYCRHCB-UHFFFAOYSA-N 2 2 300.368 3.316 20 0 DGADLP c1c2ccncc2sc1C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000657450817 436206840 /nfs/dbraw/zinc/20/68/40/436206840.db2.gz WVDYAMCOCDJEGF-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2ccncc2sc1C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000657450817 436206846 /nfs/dbraw/zinc/20/68/46/436206846.db2.gz WVDYAMCOCDJEGF-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP Fc1c(C[NH2+]Cc2c[nH+]c3n2CCCC3)cccc1OC1CC1 ZINC000657460508 436212565 /nfs/dbraw/zinc/21/25/65/436212565.db2.gz YXAXBYHAPHTDTR-UHFFFAOYSA-N 2 2 315.392 3.190 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478774 436221547 /nfs/dbraw/zinc/22/15/47/436221547.db2.gz FKWGEMMLULNNHI-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478774 436221551 /nfs/dbraw/zinc/22/15/51/436221551.db2.gz FKWGEMMLULNNHI-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CCOc1ccc(C[C@@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657487493 436224777 /nfs/dbraw/zinc/22/47/77/436224777.db2.gz KMAIIJFWTUFIEK-OAHLLOKOSA-N 2 2 313.445 3.196 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCC2 ZINC000657703166 436284139 /nfs/dbraw/zinc/28/41/39/436284139.db2.gz VGLFVNKONLHOMP-HUUCEWRRSA-N 2 2 303.450 3.045 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCC2 ZINC000657703164 436284400 /nfs/dbraw/zinc/28/44/00/436284400.db2.gz VGLFVNKONLHOMP-CABCVRRESA-N 2 2 303.450 3.045 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)C1CC1 ZINC000666835079 436290005 /nfs/dbraw/zinc/29/00/05/436290005.db2.gz WRDMRDXFZPPGLG-SFHVURJKSA-N 2 2 324.472 3.052 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](c3ccccc3)[C@H](O)C(C)C)n2c1 ZINC000657744475 436293836 /nfs/dbraw/zinc/29/38/36/436293836.db2.gz FQHIEAXWMNBBBO-VQTJNVASSA-N 2 2 323.440 3.491 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666855344 436295330 /nfs/dbraw/zinc/29/53/30/436295330.db2.gz NMZUZYJFLWRZLD-AWEZNQCLSA-N 2 2 317.458 3.050 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1F ZINC000657614503 436261067 /nfs/dbraw/zinc/26/10/67/436261067.db2.gz DARMWHKNNWIVJJ-INIZCTEOSA-N 2 2 304.413 3.112 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](Oc4ccccc4)C3)c[nH+]c12 ZINC000657646073 436266189 /nfs/dbraw/zinc/26/61/89/436266189.db2.gz TYDCARCFZGZOGO-RZDIXWSQSA-N 2 2 307.397 3.342 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667445 436272882 /nfs/dbraw/zinc/27/28/82/436272882.db2.gz RCMSRISQCBUKJJ-ZAWLATJESA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667445 436272885 /nfs/dbraw/zinc/27/28/85/436272885.db2.gz RCMSRISQCBUKJJ-ZAWLATJESA-N 2 2 302.462 3.369 20 0 DGADLP COC1([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCC1 ZINC000657931984 436342736 /nfs/dbraw/zinc/34/27/36/436342736.db2.gz NWVRIEVJSJIXIE-CVEARBPZSA-N 2 2 317.477 3.154 20 0 DGADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000662393057 436343237 /nfs/dbraw/zinc/34/32/37/436343237.db2.gz NOHPRXQDYSEPEI-AWEZNQCLSA-N 2 2 314.433 3.037 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976769 436348912 /nfs/dbraw/zinc/34/89/12/436348912.db2.gz FDDWTXKAYQQLSO-WMLDXEAASA-N 2 2 308.416 3.184 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000657976769 436348915 /nfs/dbraw/zinc/34/89/15/436348915.db2.gz FDDWTXKAYQQLSO-WMLDXEAASA-N 2 2 308.416 3.184 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2CCCn3nccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000657980199 436350005 /nfs/dbraw/zinc/35/00/05/436350005.db2.gz LPMKWVRCOLTANC-ICSRJNTNSA-N 2 2 324.472 3.362 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2CCCn3nccc32)CCC[N@H+]1Cc1ccccc1 ZINC000657980199 436350007 /nfs/dbraw/zinc/35/00/07/436350007.db2.gz LPMKWVRCOLTANC-ICSRJNTNSA-N 2 2 324.472 3.362 20 0 DGADLP CO[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000657769219 436299779 /nfs/dbraw/zinc/29/97/79/436299779.db2.gz WJGKEGNEUCRJAI-HNNXBMFYSA-N 2 2 322.415 3.198 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773298 436300939 /nfs/dbraw/zinc/30/09/39/436300939.db2.gz QJWHUXBWQYVLPC-GOSISDBHSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773298 436300943 /nfs/dbraw/zinc/30/09/43/436300943.db2.gz QJWHUXBWQYVLPC-GOSISDBHSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773298 436300947 /nfs/dbraw/zinc/30/09/47/436300947.db2.gz QJWHUXBWQYVLPC-GOSISDBHSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773298 436300952 /nfs/dbraw/zinc/30/09/52/436300952.db2.gz QJWHUXBWQYVLPC-GOSISDBHSA-N 2 2 324.472 3.110 20 0 DGADLP CCC[N@H+](C)CC(C)(C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000657793530 436309046 /nfs/dbraw/zinc/30/90/46/436309046.db2.gz XOGRVEDCKKNQGX-UHFFFAOYSA-N 2 2 308.857 3.198 20 0 DGADLP CCC[N@@H+](C)CC(C)(C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000657793530 436309048 /nfs/dbraw/zinc/30/90/48/436309048.db2.gz XOGRVEDCKKNQGX-UHFFFAOYSA-N 2 2 308.857 3.198 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000662236426 436309841 /nfs/dbraw/zinc/30/98/41/436309841.db2.gz XXNSUGPWTCCLHE-FZMZJTMJSA-N 2 2 300.418 3.259 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1F ZINC000662236426 436309844 /nfs/dbraw/zinc/30/98/44/436309844.db2.gz XXNSUGPWTCCLHE-FZMZJTMJSA-N 2 2 300.418 3.259 20 0 DGADLP c1ccc([C@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657815183 436315977 /nfs/dbraw/zinc/31/59/77/436315977.db2.gz FMBMNDKYSKAQCB-MSOLQXFVSA-N 2 2 300.446 3.125 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+](C)C)cc1 ZINC000657818851 436316069 /nfs/dbraw/zinc/31/60/69/436316069.db2.gz UZKMDOUSYXLXSU-MSOLQXFVSA-N 2 2 302.462 3.153 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000666965391 436317135 /nfs/dbraw/zinc/31/71/35/436317135.db2.gz DVNMNRZAEWTAEK-SUMWQHHRSA-N 2 2 306.450 3.103 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000666965389 436317888 /nfs/dbraw/zinc/31/78/88/436317888.db2.gz DVNMNRZAEWTAEK-DYVFJYSZSA-N 2 2 306.450 3.103 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1OC ZINC000666992503 436320315 /nfs/dbraw/zinc/32/03/15/436320315.db2.gz PJSKHTTWEJOIOP-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000662273908 436321946 /nfs/dbraw/zinc/32/19/46/436321946.db2.gz BGMKEJWMKXHPNO-MSOLQXFVSA-N 2 2 320.502 3.394 20 0 DGADLP COc1cccc(SCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000662273908 436321951 /nfs/dbraw/zinc/32/19/51/436321951.db2.gz BGMKEJWMKXHPNO-MSOLQXFVSA-N 2 2 320.502 3.394 20 0 DGADLP CCCn1c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nc2ccccc21 ZINC000666998409 436322723 /nfs/dbraw/zinc/32/27/23/436322723.db2.gz SEDRLMIKYDOOIO-HNNXBMFYSA-N 2 2 312.461 3.211 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)C1 ZINC000666995086 436322816 /nfs/dbraw/zinc/32/28/16/436322816.db2.gz CZIOFFJFGLTUIX-QRQLOZEOSA-N 3 2 319.537 3.294 20 0 DGADLP Cc1cccc(Cl)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326558 436329998 /nfs/dbraw/zinc/32/99/98/436329998.db2.gz WATJOERJQCGNCC-OAHLLOKOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cccc(Cl)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326558 436330002 /nfs/dbraw/zinc/33/00/02/436330002.db2.gz WATJOERJQCGNCC-OAHLLOKOSA-N 2 2 310.869 3.191 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)C[N@@H+]1Cc1ccccc1 ZINC000657904399 436337920 /nfs/dbraw/zinc/33/79/20/436337920.db2.gz LSIUFCRVQXNSDN-HOCLYGCPSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657904399 436337921 /nfs/dbraw/zinc/33/79/21/436337921.db2.gz LSIUFCRVQXNSDN-HOCLYGCPSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)C[N@@H+]1Cc1ccccc1 ZINC000657904397 436338585 /nfs/dbraw/zinc/33/85/85/436338585.db2.gz LSIUFCRVQXNSDN-GDBMZVCRSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657904397 436338587 /nfs/dbraw/zinc/33/85/87/436338587.db2.gz LSIUFCRVQXNSDN-GDBMZVCRSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2COC(C)(C)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000658056238 436360577 /nfs/dbraw/zinc/36/05/77/436360577.db2.gz ACJOTYUVLZXUJA-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2COC(C)(C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000658056238 436360580 /nfs/dbraw/zinc/36/05/80/436360580.db2.gz ACJOTYUVLZXUJA-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059207 436361638 /nfs/dbraw/zinc/36/16/38/436361638.db2.gz VZSOEZAHDGYBFK-HZPDHXFCSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059207 436361643 /nfs/dbraw/zinc/36/16/43/436361643.db2.gz VZSOEZAHDGYBFK-HZPDHXFCSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(OC)c1 ZINC000658057987 436362063 /nfs/dbraw/zinc/36/20/63/436362063.db2.gz QOYXSBRCQCOMRQ-ZIAGYGMSSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(OC)c1 ZINC000658057987 436362069 /nfs/dbraw/zinc/36/20/69/436362069.db2.gz QOYXSBRCQCOMRQ-ZIAGYGMSSA-N 2 2 306.450 3.227 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000662541745 436362350 /nfs/dbraw/zinc/36/23/50/436362350.db2.gz HZWABGVYTXGXTR-CVEARBPZSA-N 2 2 311.385 3.248 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000658062707 436363800 /nfs/dbraw/zinc/36/38/00/436363800.db2.gz GUPPZQFWVDBQMB-FUHIMQAGSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000658062707 436363803 /nfs/dbraw/zinc/36/38/03/436363803.db2.gz GUPPZQFWVDBQMB-FUHIMQAGSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220449 436403682 /nfs/dbraw/zinc/40/36/82/436403682.db2.gz HFNDSFGFJOMLOX-APWZRJJASA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220449 436403685 /nfs/dbraw/zinc/40/36/85/436403685.db2.gz HFNDSFGFJOMLOX-APWZRJJASA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[NH+](C)C ZINC000658014136 436354376 /nfs/dbraw/zinc/35/43/76/436354376.db2.gz LCBOMNYGGYNMBN-SNVBAGLBSA-N 2 2 308.775 3.441 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658026374 436355622 /nfs/dbraw/zinc/35/56/22/436355622.db2.gz SVZZRQIBHNUATI-ROUUACIJSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658026374 436355625 /nfs/dbraw/zinc/35/56/25/436355625.db2.gz SVZZRQIBHNUATI-ROUUACIJSA-N 2 2 324.896 3.098 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2COC3(CCC3)C2)CCC1 ZINC000658026291 436355952 /nfs/dbraw/zinc/35/59/52/436355952.db2.gz CHXRSMLUCHDAGI-GOSISDBHSA-N 2 2 314.473 3.342 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2COC3(CCC3)C2)CCC1 ZINC000658026291 436355957 /nfs/dbraw/zinc/35/59/57/436355957.db2.gz CHXRSMLUCHDAGI-GOSISDBHSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055460 436359597 /nfs/dbraw/zinc/35/95/97/436359597.db2.gz JBVFWOMSRYCMNS-GOEBONIOSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055460 436359600 /nfs/dbraw/zinc/35/96/00/436359600.db2.gz JBVFWOMSRYCMNS-GOEBONIOSA-N 2 2 318.461 3.371 20 0 DGADLP c1cc(CNc2c[nH+]cc3c2CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000663258607 436431595 /nfs/dbraw/zinc/43/15/95/436431595.db2.gz LMGAHWKMABTEEN-UHFFFAOYSA-N 2 2 305.385 3.153 20 0 DGADLP CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658331499 436433220 /nfs/dbraw/zinc/43/32/20/436433220.db2.gz MXUXLPACUSBTMV-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658331499 436433222 /nfs/dbraw/zinc/43/32/22/436433222.db2.gz MXUXLPACUSBTMV-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000658337586 436434168 /nfs/dbraw/zinc/43/41/68/436434168.db2.gz VHSIMMCLBJHGHD-OWYHZJEWSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccn1C ZINC000658337586 436434170 /nfs/dbraw/zinc/43/41/70/436434170.db2.gz VHSIMMCLBJHGHD-OWYHZJEWSA-N 2 2 324.472 3.266 20 0 DGADLP CCn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000663467883 436465140 /nfs/dbraw/zinc/46/51/40/436465140.db2.gz PHZBRBQAESFSRK-CRAIPNDOSA-N 2 2 304.482 3.036 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288051 436418827 /nfs/dbraw/zinc/41/88/27/436418827.db2.gz QTTLMTKCYBHYHK-NVXWUHKLSA-N 2 2 317.477 3.040 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288051 436418831 /nfs/dbraw/zinc/41/88/31/436418831.db2.gz QTTLMTKCYBHYHK-NVXWUHKLSA-N 2 2 317.477 3.040 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287412 436419503 /nfs/dbraw/zinc/41/95/03/436419503.db2.gz HWNRXUQXPGYOCT-WBVHZDCISA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287412 436419505 /nfs/dbraw/zinc/41/95/05/436419505.db2.gz HWNRXUQXPGYOCT-WBVHZDCISA-N 2 2 317.477 3.094 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000658296273 436420092 /nfs/dbraw/zinc/42/00/92/436420092.db2.gz RKGNREKHEXKNCI-DLBZAZTESA-N 2 2 308.491 3.432 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000658296276 436420501 /nfs/dbraw/zinc/42/05/01/436420501.db2.gz RKGNREKHEXKNCI-IAGOWNOFSA-N 2 2 308.491 3.432 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658294971 436420658 /nfs/dbraw/zinc/42/06/58/436420658.db2.gz QIIFJXHXVIYSCF-FUHWJXTLSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658297248 436421550 /nfs/dbraw/zinc/42/15/50/436421550.db2.gz ZORMRYOLBOOCGP-XCLNPWKQSA-N 2 2 314.473 3.022 20 0 DGADLP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000663870865 436521616 /nfs/dbraw/zinc/52/16/16/436521616.db2.gz MDTFWSDSTQVVPZ-QGZVFWFLSA-N 2 2 303.450 3.091 20 0 DGADLP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)[nH+]1 ZINC000663870865 436521619 /nfs/dbraw/zinc/52/16/19/436521619.db2.gz MDTFWSDSTQVVPZ-QGZVFWFLSA-N 2 2 303.450 3.091 20 0 DGADLP CC(C)[NH2+][C@@H]1CCCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000663487002 436469653 /nfs/dbraw/zinc/46/96/53/436469653.db2.gz AURPDFJLWPTELL-MRXNPFEDSA-N 2 2 311.433 3.187 20 0 DGADLP Fc1ccccc1-c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000663502264 436471719 /nfs/dbraw/zinc/47/17/19/436471719.db2.gz QEGJKMHOILACLD-UHFFFAOYSA-N 2 2 302.418 3.396 20 0 DGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000663505051 436472073 /nfs/dbraw/zinc/47/20/73/436472073.db2.gz GYJQDSIOVJJQSW-QZTJIDSGSA-N 2 2 314.404 3.233 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009916 436579088 /nfs/dbraw/zinc/57/90/88/436579088.db2.gz CYMSALTTZAWGBE-XJKSGUPXSA-N 2 2 301.459 3.212 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009916 436579091 /nfs/dbraw/zinc/57/90/91/436579091.db2.gz CYMSALTTZAWGBE-XJKSGUPXSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009916 436579093 /nfs/dbraw/zinc/57/90/93/436579093.db2.gz CYMSALTTZAWGBE-XJKSGUPXSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009916 436579095 /nfs/dbraw/zinc/57/90/95/436579095.db2.gz CYMSALTTZAWGBE-XJKSGUPXSA-N 2 2 301.459 3.212 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655683943 436574181 /nfs/dbraw/zinc/57/41/81/436574181.db2.gz JQQDQTFQAMGNHV-AEFFLSMTSA-N 2 2 302.462 3.207 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250614 436613897 /nfs/dbraw/zinc/61/38/97/436613897.db2.gz IXKVDALSKSHCIG-NWDGAFQWSA-N 2 2 304.887 3.143 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250614 436613898 /nfs/dbraw/zinc/61/38/98/436613898.db2.gz IXKVDALSKSHCIG-NWDGAFQWSA-N 2 2 304.887 3.143 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250616 436614049 /nfs/dbraw/zinc/61/40/49/436614049.db2.gz IXKVDALSKSHCIG-VXGBXAGGSA-N 2 2 304.887 3.143 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)s1 ZINC000660250616 436614050 /nfs/dbraw/zinc/61/40/50/436614050.db2.gz IXKVDALSKSHCIG-VXGBXAGGSA-N 2 2 304.887 3.143 20 0 DGADLP Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc[nH+]1 ZINC000664562411 436618143 /nfs/dbraw/zinc/61/81/43/436618143.db2.gz GNHAUBPCZIZMNF-SFHVURJKSA-N 2 2 322.456 3.499 20 0 DGADLP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc[nH+]1 ZINC000664562411 436618146 /nfs/dbraw/zinc/61/81/46/436618146.db2.gz GNHAUBPCZIZMNF-SFHVURJKSA-N 2 2 322.456 3.499 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000660306665 436621417 /nfs/dbraw/zinc/62/14/17/436621417.db2.gz UFEPSSPUDOBZFM-KDOFPFPSSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000660306665 436621418 /nfs/dbraw/zinc/62/14/18/436621418.db2.gz UFEPSSPUDOBZFM-KDOFPFPSSA-N 2 2 313.445 3.292 20 0 DGADLP CC1(C)Cc2cccc(C[NH2+]Cc3c[nH+]c4n3CCCC4)c2O1 ZINC000376716186 312978817 /nfs/dbraw/zinc/97/88/17/312978817.db2.gz MDEFLKKOLXCLOD-UHFFFAOYSA-N 2 2 311.429 3.223 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000377268249 313035220 /nfs/dbraw/zinc/03/52/20/313035220.db2.gz SEPWRZYYIASUOF-CYBMUJFWSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000377268249 313035224 /nfs/dbraw/zinc/03/52/24/313035224.db2.gz SEPWRZYYIASUOF-CYBMUJFWSA-N 2 2 312.442 3.409 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(C)c1 ZINC000528726414 313066477 /nfs/dbraw/zinc/06/64/77/313066477.db2.gz ALZODDZDISUGQB-UHFFFAOYSA-N 2 2 316.489 3.299 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528728556 313066694 /nfs/dbraw/zinc/06/66/94/313066694.db2.gz PAPHMKRVPRDEFR-OAHLLOKOSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](c1ccccc1F)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726911 313067165 /nfs/dbraw/zinc/06/71/65/313067165.db2.gz GWEGGUXKMAYDGI-HNNXBMFYSA-N 2 2 306.425 3.073 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000528730891 313067796 /nfs/dbraw/zinc/06/77/96/313067796.db2.gz VKZFSFBJIPGROG-UITAMQMPSA-N 2 2 314.473 3.277 20 0 DGADLP FC(F)(F)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177875 313333880 /nfs/dbraw/zinc/33/38/80/313333880.db2.gz JHJVXHRKOAYMJJ-CQSZACIVSA-N 2 2 314.351 3.002 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000532230933 313530670 /nfs/dbraw/zinc/53/06/70/313530670.db2.gz KFLCBDAEIZOVDO-AWEZNQCLSA-N 2 2 310.507 3.158 20 0 DGADLP CC[C@@H](C)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539691097 313924393 /nfs/dbraw/zinc/92/43/93/313924393.db2.gz GLQLFTBUANIPFP-CABCVRRESA-N 2 2 304.482 3.459 20 0 DGADLP CCc1cc(N(C)C2CC[NH+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000542948748 314107964 /nfs/dbraw/zinc/10/79/64/314107964.db2.gz GNGADMRVDANADA-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000545276699 314240343 /nfs/dbraw/zinc/24/03/43/314240343.db2.gz YDIHJSDNMDCUMN-KBAYOESNSA-N 2 2 301.478 3.348 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000545276699 314240347 /nfs/dbraw/zinc/24/03/47/314240347.db2.gz YDIHJSDNMDCUMN-KBAYOESNSA-N 2 2 301.478 3.348 20 0 DGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868477 314271476 /nfs/dbraw/zinc/27/14/76/314271476.db2.gz NSLWTDJXUIWZIP-IEBWSBKVSA-N 2 2 316.445 3.176 20 0 DGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868477 314271479 /nfs/dbraw/zinc/27/14/79/314271479.db2.gz NSLWTDJXUIWZIP-IEBWSBKVSA-N 2 2 316.445 3.176 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939726 314277751 /nfs/dbraw/zinc/27/77/51/314277751.db2.gz OJDGREOXJIJYAO-NXEZZACHSA-N 2 2 307.385 3.154 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939726 314277755 /nfs/dbraw/zinc/27/77/55/314277755.db2.gz OJDGREOXJIJYAO-NXEZZACHSA-N 2 2 307.385 3.154 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000550887389 314544046 /nfs/dbraw/zinc/54/40/46/314544046.db2.gz PTCWMNBDHDWUFH-MNEFBYGVSA-N 2 2 304.478 3.399 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000553042764 314630570 /nfs/dbraw/zinc/63/05/70/314630570.db2.gz BWUDCBDABDHYHD-CHWSQXEVSA-N 2 2 319.836 3.409 20 0 DGADLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000553272527 314638309 /nfs/dbraw/zinc/63/83/09/314638309.db2.gz AWVMBJSEIAJJBG-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000556155953 314746182 /nfs/dbraw/zinc/74/61/82/314746182.db2.gz UTPHOQOFKKZLMK-LCLWPZTBSA-N 2 2 318.505 3.485 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000562284759 315006161 /nfs/dbraw/zinc/00/61/61/315006161.db2.gz QFEWCUQZQRWDDU-UHFFFAOYSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000562284759 315006164 /nfs/dbraw/zinc/00/61/64/315006164.db2.gz QFEWCUQZQRWDDU-UHFFFAOYSA-N 2 2 304.438 3.037 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563135813 315082459 /nfs/dbraw/zinc/08/24/59/315082459.db2.gz UQTXDLHNBIYPKZ-GJZGRUSLSA-N 2 2 305.491 3.232 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563135813 315082462 /nfs/dbraw/zinc/08/24/62/315082462.db2.gz UQTXDLHNBIYPKZ-GJZGRUSLSA-N 2 2 305.491 3.232 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349417 315104825 /nfs/dbraw/zinc/10/48/25/315104825.db2.gz IPQGPSVTDCKLOM-FZMZJTMJSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349417 315104829 /nfs/dbraw/zinc/10/48/29/315104829.db2.gz IPQGPSVTDCKLOM-FZMZJTMJSA-N 2 2 305.422 3.261 20 0 DGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000564074310 315155566 /nfs/dbraw/zinc/15/55/66/315155566.db2.gz ULLDDPYUFKRGBT-GBESFXJTSA-N 2 2 318.424 3.244 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000564481910 315178514 /nfs/dbraw/zinc/17/85/14/315178514.db2.gz YMEIPVRTYCZJIK-NZSAHSFTSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000564481910 315178515 /nfs/dbraw/zinc/17/85/15/315178515.db2.gz YMEIPVRTYCZJIK-NZSAHSFTSA-N 2 2 314.473 3.198 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000564526637 315180876 /nfs/dbraw/zinc/18/08/76/315180876.db2.gz BKQQJCSSYMNTHO-ZDUSSCGKSA-N 2 2 309.335 3.358 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000564698826 315192398 /nfs/dbraw/zinc/19/23/98/315192398.db2.gz BTXONDMGSNPGQL-QGZVFWFLSA-N 2 2 324.428 3.396 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000564783251 315199631 /nfs/dbraw/zinc/19/96/31/315199631.db2.gz GWOGXEGCNRMLBR-GFCCVEGCSA-N 2 2 320.234 3.441 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000565246532 315246934 /nfs/dbraw/zinc/24/69/34/315246934.db2.gz OQWNDSFEUHHLEP-XWTMOSNGSA-N 2 2 324.509 3.064 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565378364 315257513 /nfs/dbraw/zinc/25/75/13/315257513.db2.gz MGFWPVRCLAQZCX-CQSZACIVSA-N 2 2 311.385 3.073 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565378364 315257516 /nfs/dbraw/zinc/25/75/16/315257516.db2.gz MGFWPVRCLAQZCX-CQSZACIVSA-N 2 2 311.385 3.073 20 0 DGADLP CS[C@H]1CN(c2[nH+]ccc3ccc(C)cc32)C[C@@H]1[NH+](C)C ZINC000566150041 315317108 /nfs/dbraw/zinc/31/71/08/315317108.db2.gz TZRRQGGCJLPOLO-HOTGVXAUSA-N 2 2 301.459 3.025 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566170930 315319913 /nfs/dbraw/zinc/31/99/13/315319913.db2.gz WCJOXJANHBYVQQ-WMZOPIPTSA-N 3 2 301.478 3.175 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230094 315324591 /nfs/dbraw/zinc/32/45/91/315324591.db2.gz GNEDOXGNGGOYOJ-UZLBHIALSA-N 3 2 309.457 3.070 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230094 315324595 /nfs/dbraw/zinc/32/45/95/315324595.db2.gz GNEDOXGNGGOYOJ-UZLBHIALSA-N 3 2 309.457 3.070 20 0 DGADLP CC(C)c1[nH+]c(C[N@@H+]2CCCc3c(cnn3C)C2)c2ccccn21 ZINC000566337447 315335755 /nfs/dbraw/zinc/33/57/55/315335755.db2.gz FHPXGVVPXBBEMM-UHFFFAOYSA-N 2 2 323.444 3.140 20 0 DGADLP CC(C)c1[nH+]c(C[N@H+]2CCCc3c(cnn3C)C2)c2ccccn21 ZINC000566337447 315335757 /nfs/dbraw/zinc/33/57/57/315335757.db2.gz FHPXGVVPXBBEMM-UHFFFAOYSA-N 2 2 323.444 3.140 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)n1C ZINC000569940516 315613892 /nfs/dbraw/zinc/61/38/92/315613892.db2.gz CAJCZRCEBRQEHC-LJQANCHMSA-N 2 2 306.413 3.311 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000571890594 315752048 /nfs/dbraw/zinc/75/20/48/315752048.db2.gz PSLAEGGEBAIKSC-CQSZACIVSA-N 2 2 307.850 3.290 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(Br)ccc2C)n1C ZINC000572136440 315770170 /nfs/dbraw/zinc/77/01/70/315770170.db2.gz ZFLIDYSBZUMNAH-UHFFFAOYSA-N 2 2 308.223 3.089 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000572807576 315818582 /nfs/dbraw/zinc/81/85/82/315818582.db2.gz SJAPOALHLSLTDS-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000574989026 316022438 /nfs/dbraw/zinc/02/24/38/316022438.db2.gz BIDGDZLSHIUAAY-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(C(F)(F)F)c1 ZINC000574989026 316022442 /nfs/dbraw/zinc/02/24/42/316022442.db2.gz BIDGDZLSHIUAAY-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccn1 ZINC000575072215 316030375 /nfs/dbraw/zinc/03/03/75/316030375.db2.gz VFBQZAIVZBVTGH-CLCXKQKWSA-N 2 2 311.429 3.039 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000576064019 316090668 /nfs/dbraw/zinc/09/06/68/316090668.db2.gz WVCIDKLUOGOOIS-UHFFFAOYSA-N 2 2 304.400 3.429 20 0 DGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000576146512 316098979 /nfs/dbraw/zinc/09/89/79/316098979.db2.gz ICRFUCNYQQCNSU-UHFFFAOYSA-N 3 2 323.912 3.282 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]CC2(O)CCCC2)[NH+]2CCCC2)cc1 ZINC000576508519 316137518 /nfs/dbraw/zinc/13/75/18/316137518.db2.gz GHCREXYVZKOZPG-GOSISDBHSA-N 2 2 302.462 3.027 20 0 DGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000577038346 316195205 /nfs/dbraw/zinc/19/52/05/316195205.db2.gz BZGLLJGHOATXNV-RDJZCZTQSA-N 2 2 324.428 3.017 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000577048249 316196029 /nfs/dbraw/zinc/19/60/29/316196029.db2.gz MXSCHYMTMGRNMK-RCCFBDPRSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000577048249 316196032 /nfs/dbraw/zinc/19/60/32/316196032.db2.gz MXSCHYMTMGRNMK-RCCFBDPRSA-N 2 2 300.446 3.289 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562071 316247457 /nfs/dbraw/zinc/24/74/57/316247457.db2.gz PEEKGQIGRGHQHM-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562071 316247460 /nfs/dbraw/zinc/24/74/60/316247460.db2.gz PEEKGQIGRGHQHM-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562071 316247464 /nfs/dbraw/zinc/24/74/64/316247464.db2.gz PEEKGQIGRGHQHM-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562071 316247466 /nfs/dbraw/zinc/24/74/66/316247466.db2.gz PEEKGQIGRGHQHM-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCCN(c2ccccc2)C1 ZINC000180322750 323226853 /nfs/dbraw/zinc/22/68/53/323226853.db2.gz FWMNTJITCWWROO-SFHVURJKSA-N 2 2 320.440 3.435 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000181471447 323255433 /nfs/dbraw/zinc/25/54/33/323255433.db2.gz GFLKOYJIFPRRIV-MSOLQXFVSA-N 2 2 313.445 3.225 20 0 DGADLP C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1[nH+]ccn1C ZINC000182966285 323317862 /nfs/dbraw/zinc/31/78/62/323317862.db2.gz QNDXZBJGDUQPFH-HUUCEWRRSA-N 2 2 300.450 3.200 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108722 323325922 /nfs/dbraw/zinc/32/59/22/323325922.db2.gz IBMLRRKGLWZYMC-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108722 323325926 /nfs/dbraw/zinc/32/59/26/323325926.db2.gz IBMLRRKGLWZYMC-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108722 323325930 /nfs/dbraw/zinc/32/59/30/323325930.db2.gz IBMLRRKGLWZYMC-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108722 323325932 /nfs/dbraw/zinc/32/59/32/323325932.db2.gz IBMLRRKGLWZYMC-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CCO[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181388 323328747 /nfs/dbraw/zinc/32/87/47/323328747.db2.gz VLNWYUZJBCTTGR-DLBZAZTESA-N 2 2 305.466 3.333 20 0 DGADLP CCO[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181388 323328748 /nfs/dbraw/zinc/32/87/48/323328748.db2.gz VLNWYUZJBCTTGR-DLBZAZTESA-N 2 2 305.466 3.333 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C1 ZINC000185189962 323383723 /nfs/dbraw/zinc/38/37/23/323383723.db2.gz PVDRXTMVFSMYLF-NJAFHUGGSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C1 ZINC000185189962 323383727 /nfs/dbraw/zinc/38/37/27/323383727.db2.gz PVDRXTMVFSMYLF-NJAFHUGGSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185696006 323393336 /nfs/dbraw/zinc/39/33/36/323393336.db2.gz VBIZJWADLGQJFS-CVEARBPZSA-N 2 2 304.482 3.207 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185696006 323393339 /nfs/dbraw/zinc/39/33/39/323393339.db2.gz VBIZJWADLGQJFS-CVEARBPZSA-N 2 2 304.482 3.207 20 0 DGADLP CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1c[nH+]c(C)n1C ZINC000580581307 324016230 /nfs/dbraw/zinc/01/62/30/324016230.db2.gz IJLATUDJXXCWKO-MRXNPFEDSA-N 2 2 322.840 3.114 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000581046629 324067650 /nfs/dbraw/zinc/06/76/50/324067650.db2.gz KVYPJYDMPYMCPB-NSHDSACASA-N 2 2 314.271 3.083 20 0 DGADLP CC(C)C(C[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(C)C ZINC000581145607 324080828 /nfs/dbraw/zinc/08/08/28/324080828.db2.gz GYJBIZUFBXTNLF-RTBURBONSA-N 2 2 318.505 3.140 20 0 DGADLP CC(C)C(C[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C(C)C ZINC000581145607 324080831 /nfs/dbraw/zinc/08/08/31/324080831.db2.gz GYJBIZUFBXTNLF-RTBURBONSA-N 2 2 318.505 3.140 20 0 DGADLP c1coc(-c2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)no2)c1 ZINC000581356223 324108665 /nfs/dbraw/zinc/10/86/65/324108665.db2.gz HKHXZLUZWCTJCS-UHFFFAOYSA-N 2 2 324.384 3.406 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cn3ccccc3n1)CCC2 ZINC000581380322 324112259 /nfs/dbraw/zinc/11/22/59/324112259.db2.gz PVVMTTMUKGSIOT-HUUCEWRRSA-N 2 2 309.417 3.067 20 0 DGADLP COc1cc(F)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OC ZINC000581493112 324123523 /nfs/dbraw/zinc/12/35/23/324123523.db2.gz FJLJDYZLMYRATB-UHFFFAOYSA-N 2 2 324.440 3.053 20 0 DGADLP C[C@@H](CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496495 324123651 /nfs/dbraw/zinc/12/36/51/324123651.db2.gz KCJFCJFRQWPTQW-WMZOPIPTSA-N 2 2 313.445 3.205 20 0 DGADLP C[C@@H](CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496495 324123655 /nfs/dbraw/zinc/12/36/55/324123655.db2.gz KCJFCJFRQWPTQW-WMZOPIPTSA-N 2 2 313.445 3.205 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@@H](c4ccncc4)C3)n2c1 ZINC000581588502 324133288 /nfs/dbraw/zinc/13/32/88/324133288.db2.gz PGUHDYKCSTXBHD-SJLPKXTDSA-N 2 2 322.412 3.048 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000581753196 324152634 /nfs/dbraw/zinc/15/26/34/324152634.db2.gz NLOSPSSFPIHBAZ-KXBFYZLASA-N 2 2 304.478 3.490 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000582368755 324221665 /nfs/dbraw/zinc/22/16/65/324221665.db2.gz QOSOQTOYNONJJT-CABCVRRESA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554532 324245896 /nfs/dbraw/zinc/24/58/96/324245896.db2.gz OWIUTIUJYKNQNO-QWRGUYRKSA-N 2 2 323.412 3.400 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554532 324245901 /nfs/dbraw/zinc/24/59/01/324245901.db2.gz OWIUTIUJYKNQNO-QWRGUYRKSA-N 2 2 323.412 3.400 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2csc(-c3ccccc3)n2)n1C ZINC000582677886 324261153 /nfs/dbraw/zinc/26/11/53/324261153.db2.gz WWFYMWHVBVCIMM-UHFFFAOYSA-N 2 2 312.442 3.184 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000583361863 324343339 /nfs/dbraw/zinc/34/33/39/324343339.db2.gz KYELKRNCHQDAPN-BRWVUGGUSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000583361863 324343340 /nfs/dbraw/zinc/34/33/40/324343340.db2.gz KYELKRNCHQDAPN-BRWVUGGUSA-N 2 2 316.493 3.053 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395177932 1176784817 /nfs/dbraw/zinc/78/48/17/1176784817.db2.gz GPGJTIHWXNTZAH-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C)C1 ZINC000395177932 1176784827 /nfs/dbraw/zinc/78/48/27/1176784827.db2.gz GPGJTIHWXNTZAH-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430916675 533788725 /nfs/dbraw/zinc/78/87/25/533788725.db2.gz AZDZLTAYZGZAIE-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430916675 533788738 /nfs/dbraw/zinc/78/87/38/533788738.db2.gz AZDZLTAYZGZAIE-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1OCc1cccs1 ZINC000435381080 533794531 /nfs/dbraw/zinc/79/45/31/533794531.db2.gz VDEBVVYJXVJQHJ-CYBMUJFWSA-N 2 2 320.458 3.115 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1OCc1cccs1 ZINC000435381080 533794536 /nfs/dbraw/zinc/79/45/36/533794536.db2.gz VDEBVVYJXVJQHJ-CYBMUJFWSA-N 2 2 320.458 3.115 20 0 DGADLP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415006933 533844659 /nfs/dbraw/zinc/84/46/59/533844659.db2.gz ASVQMUXGEJEYBD-OAHLLOKOSA-N 3 2 323.912 3.412 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000302659801 533909087 /nfs/dbraw/zinc/90/90/87/533909087.db2.gz OTPVAAGJHSMNOE-CABCVRRESA-N 2 2 311.429 3.225 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000302659801 533909097 /nfs/dbraw/zinc/90/90/97/533909097.db2.gz OTPVAAGJHSMNOE-CABCVRRESA-N 2 2 311.429 3.225 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)[NH+]1CCCCC1 ZINC000433335416 533940618 /nfs/dbraw/zinc/94/06/18/533940618.db2.gz LJHKBTJADDKQHL-CQSZACIVSA-N 2 2 302.422 3.024 20 0 DGADLP Cc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)c(Br)c1 ZINC000159273165 534056077 /nfs/dbraw/zinc/05/60/77/534056077.db2.gz RWAGYIGVHWHQBG-UHFFFAOYSA-N 2 2 313.283 3.435 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000443978546 534067982 /nfs/dbraw/zinc/06/79/82/534067982.db2.gz LTADTBZXTWYFBZ-INIZCTEOSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000443978546 534067987 /nfs/dbraw/zinc/06/79/87/534067987.db2.gz LTADTBZXTWYFBZ-INIZCTEOSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925524 534367784 /nfs/dbraw/zinc/36/77/84/534367784.db2.gz DCEQQJJQOPYWLG-ABAIWWIYSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925524 534367788 /nfs/dbraw/zinc/36/77/88/534367788.db2.gz DCEQQJJQOPYWLG-ABAIWWIYSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764665 534526681 /nfs/dbraw/zinc/52/66/81/534526681.db2.gz CYHXVFZTGPPTSE-SJPCQFCGSA-N 2 2 311.429 3.365 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764665 534526688 /nfs/dbraw/zinc/52/66/88/534526688.db2.gz CYHXVFZTGPPTSE-SJPCQFCGSA-N 2 2 311.429 3.365 20 0 DGADLP CC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1cnn(C)c1 ZINC000155843380 522588581 /nfs/dbraw/zinc/58/85/81/522588581.db2.gz WIQHNVOAZJNDLN-INIZCTEOSA-N 2 2 311.433 3.209 20 0 DGADLP Cc1[nH+]c2ccccc2c(N2CC[NH+](Cc3ccon3)CC2)c1C ZINC000302077291 534670887 /nfs/dbraw/zinc/67/08/87/534670887.db2.gz JUDJMCQCSUPXLA-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156695150 525353051 /nfs/dbraw/zinc/35/30/51/525353051.db2.gz JMIHBRSPBHPYCD-SJORKVTESA-N 2 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154645132 525501455 /nfs/dbraw/zinc/50/14/55/525501455.db2.gz ZJAPTRUPPHCHEC-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154645132 525501463 /nfs/dbraw/zinc/50/14/63/525501463.db2.gz ZJAPTRUPPHCHEC-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154826984 525723639 /nfs/dbraw/zinc/72/36/39/525723639.db2.gz MRFBJXDBFWCJIP-BZNIZROVSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154826984 525723646 /nfs/dbraw/zinc/72/36/46/525723646.db2.gz MRFBJXDBFWCJIP-BZNIZROVSA-N 2 2 305.809 3.019 20 0 DGADLP Fc1cc2cccnc2c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156365836 526312231 /nfs/dbraw/zinc/31/22/31/526312231.db2.gz VOQRNQHEZLQYFE-SFHVURJKSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1cc2cccnc2c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156365836 526312235 /nfs/dbraw/zinc/31/22/35/526312235.db2.gz VOQRNQHEZLQYFE-SFHVURJKSA-N 2 2 323.371 3.422 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000415058999 526697313 /nfs/dbraw/zinc/69/73/13/526697313.db2.gz UIMFDLMGWVNNEW-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP Cc1nc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc[nH+]1 ZINC000154300806 527344111 /nfs/dbraw/zinc/34/41/11/527344111.db2.gz DVVSUTHFGSKSSC-OAHLLOKOSA-N 2 2 302.466 3.266 20 0 DGADLP Cc1nc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc[nH+]1 ZINC000154300806 527344118 /nfs/dbraw/zinc/34/41/18/527344118.db2.gz DVVSUTHFGSKSSC-OAHLLOKOSA-N 2 2 302.466 3.266 20 0 DGADLP CCOc1cc(C[N@H+](C)CC[NH3+])ccc1OCc1ccccc1 ZINC000415109693 528259231 /nfs/dbraw/zinc/25/92/31/528259231.db2.gz NYDSBLBHIIAXBS-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP CCOc1cc(C[N@@H+](C)CC[NH3+])ccc1OCc1ccccc1 ZINC000415109693 528259238 /nfs/dbraw/zinc/25/92/38/528259238.db2.gz NYDSBLBHIIAXBS-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP CC(C)c1nc(N[C@H](C)Cn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000433616904 528265198 /nfs/dbraw/zinc/26/51/98/528265198.db2.gz MCUWMPAFJDUPLF-CYBMUJFWSA-N 2 2 301.438 3.017 20 0 DGADLP CC[NH+](CC)[C@H](CNc1cc(NC2CC2)[nH+]cn1)c1ccco1 ZINC000413079382 528282396 /nfs/dbraw/zinc/28/23/96/528282396.db2.gz CKDATEJQGNMODV-CQSZACIVSA-N 2 2 315.421 3.139 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309774627 528569220 /nfs/dbraw/zinc/56/92/20/528569220.db2.gz BXFMAMCFNQIEOA-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309774627 528569223 /nfs/dbraw/zinc/56/92/23/528569223.db2.gz BXFMAMCFNQIEOA-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cn1 ZINC000432420458 528585380 /nfs/dbraw/zinc/58/53/80/528585380.db2.gz BKMSZHKGVOAEIL-CRAIPNDOSA-N 2 2 323.456 3.008 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cn1 ZINC000432420458 528585385 /nfs/dbraw/zinc/58/53/85/528585385.db2.gz BKMSZHKGVOAEIL-CRAIPNDOSA-N 2 2 323.456 3.008 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000428247340 528719758 /nfs/dbraw/zinc/71/97/58/528719758.db2.gz NFDNDOLWHKTGTA-MRXNPFEDSA-N 2 2 305.466 3.386 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000428247340 528719761 /nfs/dbraw/zinc/71/97/61/528719761.db2.gz NFDNDOLWHKTGTA-MRXNPFEDSA-N 2 2 305.466 3.386 20 0 DGADLP CC[N@H+](Cc1cc(-c2cccs2)on1)[C@H]1CCC[NH2+]CC1 ZINC000435624972 528763645 /nfs/dbraw/zinc/76/36/45/528763645.db2.gz GPVOUJVSMOJGLP-AWEZNQCLSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1cc(-c2cccs2)on1)[C@H]1CCC[NH2+]CC1 ZINC000435624972 528763649 /nfs/dbraw/zinc/76/36/49/528763649.db2.gz GPVOUJVSMOJGLP-AWEZNQCLSA-N 2 2 305.447 3.367 20 0 DGADLP CCCn1nc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)c1C ZINC000415069750 528876490 /nfs/dbraw/zinc/87/64/90/528876490.db2.gz TZZQYULUUCOMQS-LJQANCHMSA-N 2 2 314.477 3.262 20 0 DGADLP CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435627493 528887791 /nfs/dbraw/zinc/88/77/91/528887791.db2.gz RQVPXONPFYHDJD-INIZCTEOSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435627493 528887796 /nfs/dbraw/zinc/88/77/96/528887796.db2.gz RQVPXONPFYHDJD-INIZCTEOSA-N 2 2 317.408 3.445 20 0 DGADLP CC[NH+]1CCC(CCNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000302084876 528969484 /nfs/dbraw/zinc/96/94/84/528969484.db2.gz KIPYHSTUHWTNIZ-UHFFFAOYSA-N 2 2 302.466 3.198 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292930132 528986726 /nfs/dbraw/zinc/98/67/26/528986726.db2.gz HTFKYYOAGCKOLT-UHFFFAOYSA-N 2 2 317.458 3.400 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000294653888 528987159 /nfs/dbraw/zinc/98/71/59/528987159.db2.gz CDIZLIZBFRTEDZ-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000430593055 529046434 /nfs/dbraw/zinc/04/64/34/529046434.db2.gz RXCPSKODCCRCOK-MRXNPFEDSA-N 2 2 323.387 3.425 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000430593055 529046442 /nfs/dbraw/zinc/04/64/42/529046442.db2.gz RXCPSKODCCRCOK-MRXNPFEDSA-N 2 2 323.387 3.425 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432349878 529170954 /nfs/dbraw/zinc/17/09/54/529170954.db2.gz XNCFNSFXCCMUGN-HNNXBMFYSA-N 2 2 324.896 3.493 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432349878 529170956 /nfs/dbraw/zinc/17/09/56/529170956.db2.gz XNCFNSFXCCMUGN-HNNXBMFYSA-N 2 2 324.896 3.493 20 0 DGADLP CCC(CC)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449525384 535078653 /nfs/dbraw/zinc/07/86/53/535078653.db2.gz RPWPUTQTNPCPNG-UHFFFAOYSA-N 2 2 317.477 3.388 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316214 535263877 /nfs/dbraw/zinc/26/38/77/535263877.db2.gz FSZHKKVWUCUWMS-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316214 535263878 /nfs/dbraw/zinc/26/38/78/535263878.db2.gz FSZHKKVWUCUWMS-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316214 535263879 /nfs/dbraw/zinc/26/38/79/535263879.db2.gz FSZHKKVWUCUWMS-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488316214 535263880 /nfs/dbraw/zinc/26/38/80/535263880.db2.gz FSZHKKVWUCUWMS-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CCCc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000494327743 535447957 /nfs/dbraw/zinc/44/79/57/535447957.db2.gz IOWJHWFPRHUMIR-UHFFFAOYSA-N 2 2 316.474 3.249 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000459319891 536361625 /nfs/dbraw/zinc/36/16/25/536361625.db2.gz DXORFBOGDDSWBW-UHFFFAOYSA-N 2 2 324.428 3.182 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000459319891 536361630 /nfs/dbraw/zinc/36/16/30/536361630.db2.gz DXORFBOGDDSWBW-UHFFFAOYSA-N 2 2 324.428 3.182 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000449247442 536834491 /nfs/dbraw/zinc/83/44/91/536834491.db2.gz GGEDRICQKDIUCV-ACAXCVFMSA-N 2 2 316.489 3.302 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000449247442 536834500 /nfs/dbraw/zinc/83/45/00/536834500.db2.gz GGEDRICQKDIUCV-ACAXCVFMSA-N 2 2 316.489 3.302 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000449223238 536894390 /nfs/dbraw/zinc/89/43/90/536894390.db2.gz FMICYTOWRMXRTL-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000449223238 536894392 /nfs/dbraw/zinc/89/43/92/536894392.db2.gz FMICYTOWRMXRTL-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000449223238 536894394 /nfs/dbraw/zinc/89/43/94/536894394.db2.gz FMICYTOWRMXRTL-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000449223238 536894397 /nfs/dbraw/zinc/89/43/97/536894397.db2.gz FMICYTOWRMXRTL-KXBFYZLASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cccc12 ZINC000449258501 536932680 /nfs/dbraw/zinc/93/26/80/536932680.db2.gz NHJWJBCVTYPWIP-OAHLLOKOSA-N 2 2 307.397 3.150 20 0 DGADLP Fc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000093189896 545854327 /nfs/dbraw/zinc/85/43/27/545854327.db2.gz GUZNBIFXVVIZIU-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000121049355 545892100 /nfs/dbraw/zinc/89/21/00/545892100.db2.gz DNMUEHCWXWRTAE-KRWDZBQOSA-N 2 2 317.383 3.317 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000121016073 545892557 /nfs/dbraw/zinc/89/25/57/545892557.db2.gz NGJLCMYDVMEYBS-QGZVFWFLSA-N 2 2 313.351 3.432 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123798388 545908190 /nfs/dbraw/zinc/90/81/90/545908190.db2.gz HCNRGXFARXINTH-KURKYZTESA-N 2 2 319.493 3.270 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123798388 545908194 /nfs/dbraw/zinc/90/81/94/545908194.db2.gz HCNRGXFARXINTH-KURKYZTESA-N 2 2 319.493 3.270 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000166797034 546096160 /nfs/dbraw/zinc/09/61/60/546096160.db2.gz PVSUCTYZSMGOQI-LJQANCHMSA-N 2 2 302.462 3.073 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000179134416 546133779 /nfs/dbraw/zinc/13/37/79/546133779.db2.gz FYJIOCBMZRWNCR-CYBMUJFWSA-N 2 2 316.474 3.162 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179484487 546135800 /nfs/dbraw/zinc/13/58/00/546135800.db2.gz CALZWBORXCSQPJ-IFXJQAMLSA-N 2 2 321.428 3.218 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179484487 546135801 /nfs/dbraw/zinc/13/58/01/546135801.db2.gz CALZWBORXCSQPJ-IFXJQAMLSA-N 2 2 321.428 3.218 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cn[nH]c2C)cc1 ZINC000180022474 546140900 /nfs/dbraw/zinc/14/09/00/546140900.db2.gz NBGWYKVCETZERG-CQSZACIVSA-N 2 2 300.450 3.411 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000228178650 546268971 /nfs/dbraw/zinc/26/89/71/546268971.db2.gz XNSLOGYSQLEFBN-UKRRQHHQSA-N 2 2 301.459 3.430 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000228178650 546268975 /nfs/dbraw/zinc/26/89/75/546268975.db2.gz XNSLOGYSQLEFBN-UKRRQHHQSA-N 2 2 301.459 3.430 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000279773575 546376462 /nfs/dbraw/zinc/37/64/62/546376462.db2.gz ALKFMOKABXQEOJ-OXJNMPFZSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000279773575 546376467 /nfs/dbraw/zinc/37/64/67/546376467.db2.gz ALKFMOKABXQEOJ-OXJNMPFZSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000280603157 546383475 /nfs/dbraw/zinc/38/34/75/546383475.db2.gz OFFWXASWALOHBW-FXAWDEMLSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000280603157 546383477 /nfs/dbraw/zinc/38/34/77/546383477.db2.gz OFFWXASWALOHBW-FXAWDEMLSA-N 2 2 309.457 3.185 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000318746266 546462663 /nfs/dbraw/zinc/46/26/63/546462663.db2.gz YJFOONXNVNQQDG-IPMKNSEASA-N 2 2 302.462 3.371 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000319644964 546465409 /nfs/dbraw/zinc/46/54/09/546465409.db2.gz QVDHQKRZVKUTGV-PXNSSMCTSA-N 3 2 315.505 3.143 20 0 DGADLP CCc1[nH+]c2cc(CNc3cc(C)[nH+]c(C)n3)ccc2n1C1CC1 ZINC000338484592 546527987 /nfs/dbraw/zinc/52/79/87/546527987.db2.gz PJJORJAXUUUQIK-UHFFFAOYSA-N 2 2 321.428 3.374 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)co2)c1 ZINC000339067778 546531887 /nfs/dbraw/zinc/53/18/87/546531887.db2.gz CUZATGFSKZGHNL-OCCSQVGLSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)co2)c1 ZINC000339067778 546531890 /nfs/dbraw/zinc/53/18/90/546531890.db2.gz CUZATGFSKZGHNL-OCCSQVGLSA-N 2 2 303.431 3.120 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339066844 546531998 /nfs/dbraw/zinc/53/19/98/546531998.db2.gz IENBLYMYHOBIFG-FGTMMUONSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339066844 546532001 /nfs/dbraw/zinc/53/20/01/546532001.db2.gz IENBLYMYHOBIFG-FGTMMUONSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339066844 546532005 /nfs/dbraw/zinc/53/20/05/546532005.db2.gz IENBLYMYHOBIFG-FGTMMUONSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339066844 546532009 /nfs/dbraw/zinc/53/20/09/546532009.db2.gz IENBLYMYHOBIFG-FGTMMUONSA-N 3 2 307.526 3.103 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339076122 546533744 /nfs/dbraw/zinc/53/37/44/546533744.db2.gz SSWNJQVNTOIPLH-IRXDYDNUSA-N 2 2 315.461 3.119 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339076122 546533750 /nfs/dbraw/zinc/53/37/50/546533750.db2.gz SSWNJQVNTOIPLH-IRXDYDNUSA-N 2 2 315.461 3.119 20 0 DGADLP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000343081651 546561106 /nfs/dbraw/zinc/56/11/06/546561106.db2.gz BHQAJHGCGZUUPK-QFBILLFUSA-N 2 2 313.489 3.038 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cscc2Br)C1 ZINC000352751724 546654620 /nfs/dbraw/zinc/65/46/20/546654620.db2.gz WLLCRHMCZAOYLD-NWDGAFQWSA-N 2 2 317.296 3.473 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ncc[nH]1 ZINC000353460702 546661634 /nfs/dbraw/zinc/66/16/34/546661634.db2.gz LABUKFQPURZXHN-INIZCTEOSA-N 2 2 312.461 3.492 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389404740 546752165 /nfs/dbraw/zinc/75/21/65/546752165.db2.gz QLZLHIYBUJQROJ-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389404740 546752167 /nfs/dbraw/zinc/75/21/67/546752167.db2.gz QLZLHIYBUJQROJ-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@@H]1c1ccccc1 ZINC000414193001 546781038 /nfs/dbraw/zinc/78/10/38/546781038.db2.gz UFKWFCWJCIUIMV-AZUAARDMSA-N 3 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@@H]1c1ccccc1 ZINC000414193001 546781049 /nfs/dbraw/zinc/78/10/49/546781049.db2.gz UFKWFCWJCIUIMV-AZUAARDMSA-N 3 2 320.440 3.259 20 0 DGADLP C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH]cc[nH+]1 ZINC000428472375 546812918 /nfs/dbraw/zinc/81/29/18/546812918.db2.gz HYWYDDYNXKWTHB-ZNMIVQPWSA-N 2 2 314.433 3.192 20 0 DGADLP C[C@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH]cc[nH+]1 ZINC000428472375 546812921 /nfs/dbraw/zinc/81/29/21/546812921.db2.gz HYWYDDYNXKWTHB-ZNMIVQPWSA-N 2 2 314.433 3.192 20 0 DGADLP Cc1cc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000436438730 546822987 /nfs/dbraw/zinc/82/29/87/546822987.db2.gz YKJJFYXLTJDSMT-HOTGVXAUSA-N 2 2 310.445 3.193 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459441943 546892095 /nfs/dbraw/zinc/89/20/95/546892095.db2.gz IODLGVFAPHNZKO-LJQANCHMSA-N 2 2 322.456 3.108 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459441943 546892099 /nfs/dbraw/zinc/89/20/99/546892099.db2.gz IODLGVFAPHNZKO-LJQANCHMSA-N 2 2 322.456 3.108 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494953809 546936808 /nfs/dbraw/zinc/93/68/08/546936808.db2.gz QSSGQARGIUSDCV-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494953809 546936811 /nfs/dbraw/zinc/93/68/11/546936811.db2.gz QSSGQARGIUSDCV-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494953809 546936817 /nfs/dbraw/zinc/93/68/17/546936817.db2.gz QSSGQARGIUSDCV-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494953809 546936821 /nfs/dbraw/zinc/93/68/21/546936821.db2.gz QSSGQARGIUSDCV-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000644631564 547065529 /nfs/dbraw/zinc/06/55/29/547065529.db2.gz OGBFDBQADGJSEX-NRFANRHFSA-N 2 2 324.468 3.147 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000644631564 547065539 /nfs/dbraw/zinc/06/55/39/547065539.db2.gz OGBFDBQADGJSEX-NRFANRHFSA-N 2 2 324.468 3.147 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000667119314 547097462 /nfs/dbraw/zinc/09/74/62/547097462.db2.gz PDMLZFQPTWYCLI-HNNXBMFYSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000667567007 547229252 /nfs/dbraw/zinc/22/92/52/547229252.db2.gz NLUWXBICIULWFS-IEBWSBKVSA-N 2 2 313.445 3.328 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000667567007 547229255 /nfs/dbraw/zinc/22/92/55/547229255.db2.gz NLUWXBICIULWFS-IEBWSBKVSA-N 2 2 313.445 3.328 20 0 DGADLP COc1ccc(CC2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)cc1 ZINC000667569339 547230725 /nfs/dbraw/zinc/23/07/25/547230725.db2.gz HWDKHHCTRRJKPL-UHFFFAOYSA-N 2 2 313.445 3.192 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000667593031 547237684 /nfs/dbraw/zinc/23/76/84/547237684.db2.gz NRIXZUCBAWTFLM-SFHVURJKSA-N 2 2 318.509 3.381 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000667593031 547237688 /nfs/dbraw/zinc/23/76/88/547237688.db2.gz NRIXZUCBAWTFLM-SFHVURJKSA-N 2 2 318.509 3.381 20 0 DGADLP COc1ccc(C[C@@H]2CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000667620461 547246379 /nfs/dbraw/zinc/24/63/79/547246379.db2.gz DRXCKMOQGDLRMQ-KRWDZBQOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000667620461 547246382 /nfs/dbraw/zinc/24/63/82/547246382.db2.gz DRXCKMOQGDLRMQ-KRWDZBQOSA-N 2 2 313.445 3.192 20 0 DGADLP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668641 547267341 /nfs/dbraw/zinc/26/73/41/547267341.db2.gz VBUNQQZINYSGHC-OAHLLOKOSA-N 2 2 304.397 3.214 20 0 DGADLP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668641 547267345 /nfs/dbraw/zinc/26/73/45/547267345.db2.gz VBUNQQZINYSGHC-OAHLLOKOSA-N 2 2 304.397 3.214 20 0 DGADLP COc1ccc(C[C@@H](C)C[N@H+](C)Cc2c[nH+]c(C)n2C)cc1 ZINC000667682196 547272715 /nfs/dbraw/zinc/27/27/15/547272715.db2.gz CVXCPJLAMDMPTG-CQSZACIVSA-N 2 2 301.434 3.048 20 0 DGADLP COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2c[nH+]c(C)n2C)cc1 ZINC000667682196 547272719 /nfs/dbraw/zinc/27/27/19/547272719.db2.gz CVXCPJLAMDMPTG-CQSZACIVSA-N 2 2 301.434 3.048 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681194 547273551 /nfs/dbraw/zinc/27/35/51/547273551.db2.gz CGWSQZZQNVPBLS-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681194 547273559 /nfs/dbraw/zinc/27/35/59/547273559.db2.gz CGWSQZZQNVPBLS-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681194 547273566 /nfs/dbraw/zinc/27/35/66/547273566.db2.gz CGWSQZZQNVPBLS-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681194 547273569 /nfs/dbraw/zinc/27/35/69/547273569.db2.gz CGWSQZZQNVPBLS-CQSZACIVSA-N 2 2 306.425 3.141 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)n1C ZINC000667686331 547274396 /nfs/dbraw/zinc/27/43/96/547274396.db2.gz BKIYRIQFBJPUDZ-AWEZNQCLSA-N 2 2 305.809 3.035 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)n1C ZINC000667686331 547274398 /nfs/dbraw/zinc/27/43/98/547274398.db2.gz BKIYRIQFBJPUDZ-AWEZNQCLSA-N 2 2 305.809 3.035 20 0 DGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667969545 547350516 /nfs/dbraw/zinc/35/05/16/547350516.db2.gz MYLOSXOZGDIYJD-KSSFIOAISA-N 2 2 311.429 3.421 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OC2CC2)c1F ZINC000668100468 547383308 /nfs/dbraw/zinc/38/33/08/547383308.db2.gz NMENTTMGKSYFHO-UHFFFAOYSA-N 2 2 306.425 3.285 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OC2CC2)c1F ZINC000668100468 547383313 /nfs/dbraw/zinc/38/33/13/547383313.db2.gz NMENTTMGKSYFHO-UHFFFAOYSA-N 2 2 306.425 3.285 20 0 DGADLP c1cc(C[NH+]2CCC(c3cccnc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668161255 547398241 /nfs/dbraw/zinc/39/82/41/547398241.db2.gz WLORQHUTIWGWNP-UHFFFAOYSA-N 2 2 319.412 3.042 20 0 DGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)CC1CCCCC1 ZINC000668158899 547398289 /nfs/dbraw/zinc/39/82/89/547398289.db2.gz DOJWDEFDXNSKFI-UHFFFAOYSA-N 2 2 306.498 3.408 20 0 DGADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccnc1 ZINC000668184434 547408105 /nfs/dbraw/zinc/40/81/05/547408105.db2.gz FPLSAIKRUYDLJV-SFHVURJKSA-N 2 2 319.412 3.245 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccnc1 ZINC000668184434 547408106 /nfs/dbraw/zinc/40/81/06/547408106.db2.gz FPLSAIKRUYDLJV-SFHVURJKSA-N 2 2 319.412 3.245 20 0 DGADLP Clc1ccc(O[C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668196571 547412458 /nfs/dbraw/zinc/41/24/58/547412458.db2.gz PLQMBXLYZFLHGS-MRXNPFEDSA-N 2 2 317.820 3.136 20 0 DGADLP Clc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668196571 547412461 /nfs/dbraw/zinc/41/24/61/547412461.db2.gz PLQMBXLYZFLHGS-MRXNPFEDSA-N 2 2 317.820 3.136 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)n1C ZINC000668241463 547427016 /nfs/dbraw/zinc/42/70/16/547427016.db2.gz JAELJXBMIUOEOF-OAHLLOKOSA-N 2 2 305.372 3.214 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)n1C ZINC000668241463 547427017 /nfs/dbraw/zinc/42/70/17/547427017.db2.gz JAELJXBMIUOEOF-OAHLLOKOSA-N 2 2 305.372 3.214 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)n1C ZINC000668295989 547437544 /nfs/dbraw/zinc/43/75/44/547437544.db2.gz BCRILRDDXOGWDJ-UHFFFAOYSA-N 2 2 321.428 3.051 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c[nH+]1 ZINC000668610402 547493811 /nfs/dbraw/zinc/49/38/11/547493811.db2.gz UXYVEZPTEODVDV-RTBURBONSA-N 2 2 312.461 3.057 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)s1 ZINC000668741548 547528019 /nfs/dbraw/zinc/52/80/19/547528019.db2.gz UGFBTOXMSKXHBW-HNNXBMFYSA-N 2 2 322.518 3.077 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)s1 ZINC000668741548 547528025 /nfs/dbraw/zinc/52/80/25/547528025.db2.gz UGFBTOXMSKXHBW-HNNXBMFYSA-N 2 2 322.518 3.077 20 0 DGADLP c1[nH+]c2n(c1C[NH+]1CCC3(C=Cc4ccccc4O3)CC1)CCC2 ZINC000668757974 547532031 /nfs/dbraw/zinc/53/20/31/547532031.db2.gz ILSMALDUCNMPDO-UHFFFAOYSA-N 2 2 321.424 3.270 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669614745 547661480 /nfs/dbraw/zinc/66/14/80/547661480.db2.gz QICYPPCHRIXYCE-CRAIPNDOSA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000669614745 547661481 /nfs/dbraw/zinc/66/14/81/547661481.db2.gz QICYPPCHRIXYCE-CRAIPNDOSA-N 2 2 300.446 3.147 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000669716683 547678652 /nfs/dbraw/zinc/67/86/52/547678652.db2.gz PTUWRFSSLHEKDP-MRXNPFEDSA-N 2 2 312.404 3.247 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000669716683 547678657 /nfs/dbraw/zinc/67/86/57/547678657.db2.gz PTUWRFSSLHEKDP-MRXNPFEDSA-N 2 2 312.404 3.247 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000671120650 547771324 /nfs/dbraw/zinc/77/13/24/547771324.db2.gz BPRJEMPVPUPABI-MAUKXSAKSA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000671120650 547771328 /nfs/dbraw/zinc/77/13/28/547771328.db2.gz BPRJEMPVPUPABI-MAUKXSAKSA-N 2 2 304.478 3.300 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000671297305 547784697 /nfs/dbraw/zinc/78/46/97/547784697.db2.gz KHYDNANSKQLBHW-HXUWFJFHSA-N 2 2 316.489 3.017 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306188 547786227 /nfs/dbraw/zinc/78/62/27/547786227.db2.gz PJSLOWRPXAOLQL-MRXNPFEDSA-N 2 2 304.482 3.080 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306188 547786230 /nfs/dbraw/zinc/78/62/30/547786230.db2.gz PJSLOWRPXAOLQL-MRXNPFEDSA-N 2 2 304.482 3.080 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306188 547786232 /nfs/dbraw/zinc/78/62/32/547786232.db2.gz PJSLOWRPXAOLQL-MRXNPFEDSA-N 2 2 304.482 3.080 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306188 547786234 /nfs/dbraw/zinc/78/62/34/547786234.db2.gz PJSLOWRPXAOLQL-MRXNPFEDSA-N 2 2 304.482 3.080 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[NH+](C)C2)CC1 ZINC000671742413 547821949 /nfs/dbraw/zinc/82/19/49/547821949.db2.gz IPGMUCITOMYNRT-GPJFCIFZSA-N 3 2 315.505 3.113 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[NH+](C)C2)CC1 ZINC000671742413 547821954 /nfs/dbraw/zinc/82/19/54/547821954.db2.gz IPGMUCITOMYNRT-GPJFCIFZSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000671742413 547821957 /nfs/dbraw/zinc/82/19/57/547821957.db2.gz IPGMUCITOMYNRT-GPJFCIFZSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671742413 547821960 /nfs/dbraw/zinc/82/19/60/547821960.db2.gz IPGMUCITOMYNRT-GPJFCIFZSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740479 547822355 /nfs/dbraw/zinc/82/23/55/547822355.db2.gz HJCYIXIEBJLKSR-LBPRGKRZSA-N 2 2 322.368 3.074 20 0 DGADLP C[C@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000672240344 547867129 /nfs/dbraw/zinc/86/71/29/547867129.db2.gz SLQRSQCDJZWHBH-NHYWBVRUSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000672240344 547867136 /nfs/dbraw/zinc/86/71/36/547867136.db2.gz SLQRSQCDJZWHBH-NHYWBVRUSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000672621745 547896878 /nfs/dbraw/zinc/89/68/78/547896878.db2.gz HWNXPAFIJSDJNI-CZUORRHYSA-N 2 2 312.404 3.465 20 0 DGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000673712191 547985684 /nfs/dbraw/zinc/98/56/84/547985684.db2.gz PPWSAVMGLPOGBN-AWEZNQCLSA-N 2 2 323.400 3.148 20 0 DGADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000673712191 547985690 /nfs/dbraw/zinc/98/56/90/547985690.db2.gz PPWSAVMGLPOGBN-AWEZNQCLSA-N 2 2 323.400 3.148 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000674902781 548132961 /nfs/dbraw/zinc/13/29/61/548132961.db2.gz OPYOLBYBYYIOIV-UHFFFAOYSA-N 2 2 324.359 3.415 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912534 548136738 /nfs/dbraw/zinc/13/67/38/548136738.db2.gz GLXWPYWLEKSLAE-ZANVPECISA-N 2 2 306.759 3.399 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912534 548136741 /nfs/dbraw/zinc/13/67/41/548136741.db2.gz GLXWPYWLEKSLAE-ZANVPECISA-N 2 2 306.759 3.399 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC000675736698 548261927 /nfs/dbraw/zinc/26/19/27/548261927.db2.gz YXMLIAJVMRJEON-SFHVURJKSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000675741252 548263106 /nfs/dbraw/zinc/26/31/06/548263106.db2.gz GMQQWMSLVAXQRM-WBVHZDCISA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000675741252 548263112 /nfs/dbraw/zinc/26/31/12/548263112.db2.gz GMQQWMSLVAXQRM-WBVHZDCISA-N 2 2 311.429 3.446 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675766064 548266678 /nfs/dbraw/zinc/26/66/78/548266678.db2.gz HIVILEKREHFQLR-MAUKXSAKSA-N 2 2 317.477 3.211 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675766064 548266681 /nfs/dbraw/zinc/26/66/81/548266681.db2.gz HIVILEKREHFQLR-MAUKXSAKSA-N 2 2 317.477 3.211 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000675767245 548267099 /nfs/dbraw/zinc/26/70/99/548267099.db2.gz RVUZNFILEQPXNL-MELADBBJSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000675767245 548267104 /nfs/dbraw/zinc/26/71/04/548267104.db2.gz RVUZNFILEQPXNL-MELADBBJSA-N 2 2 303.475 3.472 20 0 DGADLP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCOCC1 ZINC000675772710 548267813 /nfs/dbraw/zinc/26/78/13/548267813.db2.gz BZROVOLSXHUGDA-HNNXBMFYSA-N 2 2 301.434 3.290 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675820570 548278716 /nfs/dbraw/zinc/27/87/16/548278716.db2.gz MKYDVKAXALFZTQ-ZWOKBUDYSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675820570 548278721 /nfs/dbraw/zinc/27/87/21/548278721.db2.gz MKYDVKAXALFZTQ-ZWOKBUDYSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000675820569 548278934 /nfs/dbraw/zinc/27/89/34/548278934.db2.gz MKYDVKAXALFZTQ-SQGPQFPESA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000675820569 548278938 /nfs/dbraw/zinc/27/89/38/548278938.db2.gz MKYDVKAXALFZTQ-SQGPQFPESA-N 3 2 315.505 3.142 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920351 548291640 /nfs/dbraw/zinc/29/16/40/548291640.db2.gz KDMFYORNZNLHHH-KSSFIOAISA-N 2 2 323.444 3.097 20 0 DGADLP COCCC[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917732 548291787 /nfs/dbraw/zinc/29/17/87/548291787.db2.gz CFZKJAFQBIPZKX-WBVHZDCISA-N 2 2 301.434 3.109 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000675924497 548293873 /nfs/dbraw/zinc/29/38/73/548293873.db2.gz KEMXEVMINKAHHA-WBMJQRKESA-N 2 2 323.278 3.368 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000675924497 548293876 /nfs/dbraw/zinc/29/38/76/548293876.db2.gz KEMXEVMINKAHHA-WBMJQRKESA-N 2 2 323.278 3.368 20 0 DGADLP Fc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1 ZINC000676557331 548380273 /nfs/dbraw/zinc/38/02/73/548380273.db2.gz RTSAQHHVUZCKSJ-IYBDPMFKSA-N 2 2 312.388 3.269 20 0 DGADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1 ZINC000676557331 548380279 /nfs/dbraw/zinc/38/02/79/548380279.db2.gz RTSAQHHVUZCKSJ-IYBDPMFKSA-N 2 2 312.388 3.269 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677749030 548549330 /nfs/dbraw/zinc/54/93/30/548549330.db2.gz GZEGHOSCRTTZHK-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000677749030 548549334 /nfs/dbraw/zinc/54/93/34/548549334.db2.gz GZEGHOSCRTTZHK-QZTJIDSGSA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678234640 548649025 /nfs/dbraw/zinc/64/90/25/548649025.db2.gz HZMBPMYBCVNJIR-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678234640 548649026 /nfs/dbraw/zinc/64/90/26/548649026.db2.gz HZMBPMYBCVNJIR-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234831 548649561 /nfs/dbraw/zinc/64/95/61/548649561.db2.gz LZCXHERXXRTBDD-GFCCVEGCSA-N 2 2 310.323 3.134 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234831 548649564 /nfs/dbraw/zinc/64/95/64/548649564.db2.gz LZCXHERXXRTBDD-GFCCVEGCSA-N 2 2 310.323 3.134 20 0 DGADLP Fc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000678311801 548678044 /nfs/dbraw/zinc/67/80/44/548678044.db2.gz ACARPVRYIWKYEH-CQSZACIVSA-N 2 2 323.799 3.392 20 0 DGADLP Fc1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000678311801 548678048 /nfs/dbraw/zinc/67/80/48/548678048.db2.gz ACARPVRYIWKYEH-CQSZACIVSA-N 2 2 323.799 3.392 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cscc1Cl ZINC000678338454 548681444 /nfs/dbraw/zinc/68/14/44/548681444.db2.gz AHIZAABMBGDLPZ-BPLDGKMQSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cscc1Cl ZINC000678338454 548681446 /nfs/dbraw/zinc/68/14/46/548681446.db2.gz AHIZAABMBGDLPZ-BPLDGKMQSA-N 2 2 314.882 3.085 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000678497764 548716675 /nfs/dbraw/zinc/71/66/75/548716675.db2.gz KUCLLXUYZBLZRN-IHJVYAAUSA-N 2 2 316.489 3.495 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000678497764 548716678 /nfs/dbraw/zinc/71/66/78/548716678.db2.gz KUCLLXUYZBLZRN-IHJVYAAUSA-N 2 2 316.489 3.495 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C(C)C)C3CC3)c2cc1C ZINC000678586917 548732897 /nfs/dbraw/zinc/73/28/97/548732897.db2.gz MDZOTIJDPYJMQF-VQIMIIECSA-N 2 2 315.461 3.038 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2nc3c(s2)CCC3)c[nH+]1 ZINC000678881278 548786740 /nfs/dbraw/zinc/78/67/40/548786740.db2.gz CQPJOBMNRNRISW-UHFFFAOYSA-N 2 2 324.453 3.166 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)C[C@@H]1OC ZINC000678926067 548793582 /nfs/dbraw/zinc/79/35/82/548793582.db2.gz GMLSRBWFAZQUMF-SJORKVTESA-N 2 2 315.461 3.369 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000678939864 548797597 /nfs/dbraw/zinc/79/75/97/548797597.db2.gz WJKRLBQDLCWBCE-MLGOLLRUSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000678939864 548797593 /nfs/dbraw/zinc/79/75/93/548797593.db2.gz WJKRLBQDLCWBCE-MLGOLLRUSA-N 2 2 323.278 3.330 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011108 548812755 /nfs/dbraw/zinc/81/27/55/548812755.db2.gz BRGZKEXVUCXSFR-RDTXWAMCSA-N 2 2 302.462 3.436 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011108 548812760 /nfs/dbraw/zinc/81/27/60/548812760.db2.gz BRGZKEXVUCXSFR-RDTXWAMCSA-N 2 2 302.462 3.436 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)O ZINC000679014850 548812946 /nfs/dbraw/zinc/81/29/46/548812946.db2.gz BIZGOSUVTOUYCH-ZDUSSCGKSA-N 2 2 310.869 3.053 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042297 548821494 /nfs/dbraw/zinc/82/14/94/548821494.db2.gz ABNCDTIMTXXZMH-PXNSSMCTSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042297 548821499 /nfs/dbraw/zinc/82/14/99/548821499.db2.gz ABNCDTIMTXXZMH-PXNSSMCTSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000679336283 548880493 /nfs/dbraw/zinc/88/04/93/548880493.db2.gz KWIGPRCFGWCEQN-IEBWSBKVSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000679336283 548880497 /nfs/dbraw/zinc/88/04/97/548880497.db2.gz KWIGPRCFGWCEQN-IEBWSBKVSA-N 2 2 304.478 3.182 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)CC3 ZINC000679340242 548881930 /nfs/dbraw/zinc/88/19/30/548881930.db2.gz CEGYBZWBXNZHIR-SJORKVTESA-N 2 2 323.484 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)CC3 ZINC000679340242 548881934 /nfs/dbraw/zinc/88/19/34/548881934.db2.gz CEGYBZWBXNZHIR-SJORKVTESA-N 2 2 323.484 3.408 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000679347408 548883464 /nfs/dbraw/zinc/88/34/64/548883464.db2.gz XSYBYTRKZZGTRB-VCBZYWHSSA-N 2 2 312.461 3.279 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000679347408 548883468 /nfs/dbraw/zinc/88/34/68/548883468.db2.gz XSYBYTRKZZGTRB-VCBZYWHSSA-N 2 2 312.461 3.279 20 0 DGADLP c1cn(CC[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c[nH+]1 ZINC000679405681 548894589 /nfs/dbraw/zinc/89/45/89/548894589.db2.gz KSYIFNDGRWCFLL-UHFFFAOYSA-N 2 2 313.401 3.057 20 0 DGADLP c1cn(CC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c[nH+]1 ZINC000679405681 548894592 /nfs/dbraw/zinc/89/45/92/548894592.db2.gz KSYIFNDGRWCFLL-UHFFFAOYSA-N 2 2 313.401 3.057 20 0 DGADLP CCc1cccnc1[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000679575106 548919922 /nfs/dbraw/zinc/91/99/22/548919922.db2.gz OAICGJFTZRVCHY-OAHLLOKOSA-N 2 2 308.429 3.493 20 0 DGADLP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679721739 548945060 /nfs/dbraw/zinc/94/50/60/548945060.db2.gz QPMBUSXNGJWVHK-WDSOQIARSA-N 2 2 311.429 3.065 20 0 DGADLP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000679721739 548945062 /nfs/dbraw/zinc/94/50/62/548945062.db2.gz QPMBUSXNGJWVHK-WDSOQIARSA-N 2 2 311.429 3.065 20 0 DGADLP CCc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000679838734 548955860 /nfs/dbraw/zinc/95/58/60/548955860.db2.gz IVRDPKFOKJXDGE-SFHVURJKSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000679838734 548955863 /nfs/dbraw/zinc/95/58/63/548955863.db2.gz IVRDPKFOKJXDGE-SFHVURJKSA-N 2 2 310.445 3.058 20 0 DGADLP c1cn(CCC[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c[nH+]1 ZINC000679938216 548966746 /nfs/dbraw/zinc/96/67/46/548966746.db2.gz MNLBOFZCTXCSCG-IBGZPJMESA-N 2 2 312.461 3.090 20 0 DGADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000680327225 549028907 /nfs/dbraw/zinc/02/89/07/549028907.db2.gz OHOHMMXQPHPKFY-UHFFFAOYSA-N 2 2 305.447 3.325 20 0 DGADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000680327225 549028908 /nfs/dbraw/zinc/02/89/08/549028908.db2.gz OHOHMMXQPHPKFY-UHFFFAOYSA-N 2 2 305.447 3.325 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000681109065 549161588 /nfs/dbraw/zinc/16/15/88/549161588.db2.gz SHEJOHOSFMEQPE-PXNSSMCTSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000681109065 549161590 /nfs/dbraw/zinc/16/15/90/549161590.db2.gz SHEJOHOSFMEQPE-PXNSSMCTSA-N 2 2 316.489 3.182 20 0 DGADLP CCc1cc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000681397905 549202918 /nfs/dbraw/zinc/20/29/18/549202918.db2.gz SOJRWAPQBABYNZ-SFHVURJKSA-N 2 2 310.445 3.362 20 0 DGADLP CCc1cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000681397905 549202923 /nfs/dbraw/zinc/20/29/23/549202923.db2.gz SOJRWAPQBABYNZ-SFHVURJKSA-N 2 2 310.445 3.362 20 0 DGADLP CC(C)OC1CC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000681750870 549250736 /nfs/dbraw/zinc/25/07/36/549250736.db2.gz HECOBPJQXKVYBE-DAWZGUTISA-N 2 2 313.445 3.250 20 0 DGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000682074037 549284292 /nfs/dbraw/zinc/28/42/92/549284292.db2.gz CKBSOLAZIFCYDS-GMBSWORKSA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000682074037 549284295 /nfs/dbraw/zinc/28/42/95/549284295.db2.gz CKBSOLAZIFCYDS-GMBSWORKSA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074037 549284297 /nfs/dbraw/zinc/28/42/97/549284297.db2.gz CKBSOLAZIFCYDS-GMBSWORKSA-N 2 2 314.477 3.103 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCCS2 ZINC000682131770 549293541 /nfs/dbraw/zinc/29/35/41/549293541.db2.gz FXDZUASOMRKRNY-BBRMVZONSA-N 2 2 306.475 3.306 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000682131770 549293544 /nfs/dbraw/zinc/29/35/44/549293544.db2.gz FXDZUASOMRKRNY-BBRMVZONSA-N 2 2 306.475 3.306 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000682133926 549294521 /nfs/dbraw/zinc/29/45/21/549294521.db2.gz DWXGQZIWYUITJN-QUCCMNQESA-N 2 2 316.489 3.197 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345464 549472156 /nfs/dbraw/zinc/47/21/56/549472156.db2.gz COAGRKRZYXGTLO-BPQIPLTHSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345464 549472161 /nfs/dbraw/zinc/47/21/61/549472161.db2.gz COAGRKRZYXGTLO-BPQIPLTHSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000684143356 549584443 /nfs/dbraw/zinc/58/44/43/549584443.db2.gz VBEFKEKXGSPYRG-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000684143356 549584447 /nfs/dbraw/zinc/58/44/47/549584447.db2.gz VBEFKEKXGSPYRG-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000684382461 549624301 /nfs/dbraw/zinc/62/43/01/549624301.db2.gz PSNREFMQVGJXBI-KZNAEPCWSA-N 2 2 313.445 3.251 20 0 DGADLP COc1ccc2c(c1)CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C2 ZINC000684393952 549628162 /nfs/dbraw/zinc/62/81/62/549628162.db2.gz UOWKMOYERHDJCF-LJQANCHMSA-N 2 2 310.441 3.478 20 0 DGADLP Oc1cccc2c(NC3CC[NH+](CC(F)F)CC3)cc[nH+]c12 ZINC000684572343 549663235 /nfs/dbraw/zinc/66/32/35/549663235.db2.gz WZACXRZWESTMLJ-UHFFFAOYSA-N 2 2 307.344 3.082 20 0 DGADLP c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000684953927 549724818 /nfs/dbraw/zinc/72/48/18/549724818.db2.gz WCLSROJAOQWDBL-LJQANCHMSA-N 2 2 322.456 3.108 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)Cn1cc[nH+]c1 ZINC000731678212 574556540 /nfs/dbraw/zinc/55/65/40/574556540.db2.gz IVEOVPHZLOTWQN-OAHLLOKOSA-N 2 2 313.445 3.413 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000731678915 574556775 /nfs/dbraw/zinc/55/67/75/574556775.db2.gz SCZAEFQTVZAHMR-MRXNPFEDSA-N 2 2 300.446 3.117 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000731678915 574556776 /nfs/dbraw/zinc/55/67/76/574556776.db2.gz SCZAEFQTVZAHMR-MRXNPFEDSA-N 2 2 300.446 3.117 20 0 DGADLP CC(C)n1ccn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738159357 574860282 /nfs/dbraw/zinc/86/02/82/574860282.db2.gz SAOLMTQHIKUMSP-CQSZACIVSA-N 2 2 305.451 3.091 20 0 DGADLP CC(C)n1ccn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738159357 574860278 /nfs/dbraw/zinc/86/02/78/574860278.db2.gz SAOLMTQHIKUMSP-CQSZACIVSA-N 2 2 305.451 3.091 20 0 DGADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000746662501 575467655 /nfs/dbraw/zinc/46/76/55/575467655.db2.gz BIHJLVQDYYFVMP-IBGZPJMESA-N 2 2 320.452 3.118 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670231 575468711 /nfs/dbraw/zinc/46/87/11/575468711.db2.gz YCMOTQUUOFQCGQ-MAUKXSAKSA-N 2 2 322.880 3.037 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670231 575468712 /nfs/dbraw/zinc/46/87/12/575468712.db2.gz YCMOTQUUOFQCGQ-MAUKXSAKSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670231 575468713 /nfs/dbraw/zinc/46/87/13/575468713.db2.gz YCMOTQUUOFQCGQ-MAUKXSAKSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000746670231 575468715 /nfs/dbraw/zinc/46/87/15/575468715.db2.gz YCMOTQUUOFQCGQ-MAUKXSAKSA-N 2 2 322.880 3.037 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000748048419 575558389 /nfs/dbraw/zinc/55/83/89/575558389.db2.gz MICAQZFMYLBNRR-GDBMZVCRSA-N 2 2 303.475 3.247 20 0 DGADLP Cc1cc2[nH+]cn(CN3CCC[N@@H+](C(C)(C)C)CC3)c2cc1C ZINC000748081855 575560038 /nfs/dbraw/zinc/56/00/38/575560038.db2.gz FONLOKLUAUOMBN-UHFFFAOYSA-N 2 2 314.477 3.417 20 0 DGADLP Cc1cc2[nH+]cn(CN3CCC[N@H+](C(C)(C)C)CC3)c2cc1C ZINC000748081855 575560041 /nfs/dbraw/zinc/56/00/41/575560041.db2.gz FONLOKLUAUOMBN-UHFFFAOYSA-N 2 2 314.477 3.417 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c(C)s1 ZINC000749588259 575666215 /nfs/dbraw/zinc/66/62/15/575666215.db2.gz JSKRERXHEVLCGI-LLVKDONJSA-N 2 2 313.430 3.191 20 0 DGADLP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751482755 575786769 /nfs/dbraw/zinc/78/67/69/575786769.db2.gz KPKFAFLAVYBAPE-OAHLLOKOSA-N 2 2 320.481 3.064 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310280721 575930857 /nfs/dbraw/zinc/93/08/57/575930857.db2.gz WFTCLVDGRABQNM-KZNAEPCWSA-N 2 2 323.440 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000310280721 575930861 /nfs/dbraw/zinc/93/08/61/575930861.db2.gz WFTCLVDGRABQNM-KZNAEPCWSA-N 2 2 323.440 3.413 20 0 DGADLP CO[C@@H](C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CCCCC1 ZINC000852748335 620645638 /nfs/dbraw/zinc/64/56/38/620645638.db2.gz RUCNOQMGYUXDNS-OTWHNJEPSA-N 2 2 302.462 3.008 20 0 DGADLP CO[C@@H](C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CCCCC1 ZINC000852748335 620645641 /nfs/dbraw/zinc/64/56/41/620645641.db2.gz RUCNOQMGYUXDNS-OTWHNJEPSA-N 2 2 302.462 3.008 20 0 DGADLP CC(C)C[C@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)n1cc[nH+]c1 ZINC000924047255 617721769 /nfs/dbraw/zinc/72/17/69/617721769.db2.gz DSHOTSCGTJOVHI-OAHLLOKOSA-N 2 2 322.372 3.216 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000891568135 617838098 /nfs/dbraw/zinc/83/80/98/617838098.db2.gz NBCZYXIJMRCLFY-ZFWWWQNUSA-N 2 2 315.299 3.110 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000891726165 617883951 /nfs/dbraw/zinc/88/39/51/617883951.db2.gz XEZSPUTXTZUJCZ-OAHLLOKOSA-N 2 2 301.438 3.184 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000891726165 617883960 /nfs/dbraw/zinc/88/39/60/617883960.db2.gz XEZSPUTXTZUJCZ-OAHLLOKOSA-N 2 2 301.438 3.184 20 0 DGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2c(n1)CCCC2 ZINC000891842416 617910289 /nfs/dbraw/zinc/91/02/89/617910289.db2.gz MGPIFEUJEOQWNC-UHFFFAOYSA-N 2 2 310.445 3.302 20 0 DGADLP c1[nH+]cn2ccnc(NCC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000892003388 617943296 /nfs/dbraw/zinc/94/32/96/617943296.db2.gz ADCDUAZPLVOWHQ-UHFFFAOYSA-N 2 2 321.428 3.053 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132905 617971094 /nfs/dbraw/zinc/97/10/94/617971094.db2.gz BIEFGFZAYQHQTM-KRWDZBQOSA-N 2 2 306.498 3.245 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132905 617971096 /nfs/dbraw/zinc/97/10/96/617971096.db2.gz BIEFGFZAYQHQTM-KRWDZBQOSA-N 2 2 306.498 3.245 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132905 617971097 /nfs/dbraw/zinc/97/10/97/617971097.db2.gz BIEFGFZAYQHQTM-KRWDZBQOSA-N 2 2 306.498 3.245 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892132905 617971099 /nfs/dbraw/zinc/97/10/99/617971099.db2.gz BIEFGFZAYQHQTM-KRWDZBQOSA-N 2 2 306.498 3.245 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000892231194 617991007 /nfs/dbraw/zinc/99/10/07/617991007.db2.gz XXEKIIZWHCFRST-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000892231194 617991013 /nfs/dbraw/zinc/99/10/13/617991013.db2.gz XXEKIIZWHCFRST-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000892231194 617991015 /nfs/dbraw/zinc/99/10/15/617991015.db2.gz XXEKIIZWHCFRST-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000892231194 617991017 /nfs/dbraw/zinc/99/10/17/617991017.db2.gz XXEKIIZWHCFRST-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235406 617991947 /nfs/dbraw/zinc/99/19/47/617991947.db2.gz MLUCPFTUNGHHDP-RHSMWYFYSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235406 617991949 /nfs/dbraw/zinc/99/19/49/617991949.db2.gz MLUCPFTUNGHHDP-RHSMWYFYSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000892235406 617991952 /nfs/dbraw/zinc/99/19/52/617991952.db2.gz MLUCPFTUNGHHDP-RHSMWYFYSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000892235406 617991953 /nfs/dbraw/zinc/99/19/53/617991953.db2.gz MLUCPFTUNGHHDP-RHSMWYFYSA-N 2 2 304.434 3.127 20 0 DGADLP Cc1cc([NH2+]CC2CC[NH+](C)CC2)ccc1N1CCSCC1 ZINC000892356882 618040838 /nfs/dbraw/zinc/04/08/38/618040838.db2.gz XDFXJIPUBKGDFY-UHFFFAOYSA-N 2 2 319.518 3.302 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000924580520 618122179 /nfs/dbraw/zinc/12/21/79/618122179.db2.gz VBJBZEMAOSGFLG-CQSZACIVSA-N 2 2 301.434 3.464 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924580520 618122181 /nfs/dbraw/zinc/12/21/81/618122181.db2.gz VBJBZEMAOSGFLG-CQSZACIVSA-N 2 2 301.434 3.464 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000892651183 618126612 /nfs/dbraw/zinc/12/66/12/618126612.db2.gz WAJLTDQVKBDJBF-GFCCVEGCSA-N 2 2 307.467 3.063 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455255 618339798 /nfs/dbraw/zinc/33/97/98/618339798.db2.gz AXIRWOPQEQUMFM-UHFFFAOYSA-N 2 2 320.868 3.319 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455255 618339801 /nfs/dbraw/zinc/33/98/01/618339801.db2.gz AXIRWOPQEQUMFM-UHFFFAOYSA-N 2 2 320.868 3.319 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCOC2(CCC2)C1 ZINC000926875180 618364061 /nfs/dbraw/zinc/36/40/61/618364061.db2.gz ARWZQDCUOMXAEY-KSZLIROESA-N 2 2 306.494 3.332 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCOC2(CCC2)C1 ZINC000926875180 618364067 /nfs/dbraw/zinc/36/40/67/618364067.db2.gz ARWZQDCUOMXAEY-KSZLIROESA-N 2 2 306.494 3.332 20 0 DGADLP COc1cc(C)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1OC ZINC000894748205 618443733 /nfs/dbraw/zinc/44/37/33/618443733.db2.gz JHQRUWUHNHGSKJ-SJPCQFCGSA-N 2 2 318.461 3.069 20 0 DGADLP COc1cc(C)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1OC ZINC000894748205 618443734 /nfs/dbraw/zinc/44/37/34/618443734.db2.gz JHQRUWUHNHGSKJ-SJPCQFCGSA-N 2 2 318.461 3.069 20 0 DGADLP COc1cc(C)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1OC ZINC000894748205 618443735 /nfs/dbraw/zinc/44/37/35/618443735.db2.gz JHQRUWUHNHGSKJ-SJPCQFCGSA-N 2 2 318.461 3.069 20 0 DGADLP COc1cc(C)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC ZINC000894748205 618443737 /nfs/dbraw/zinc/44/37/37/618443737.db2.gz JHQRUWUHNHGSKJ-SJPCQFCGSA-N 2 2 318.461 3.069 20 0 DGADLP COCc1c(C)cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)c1C ZINC000894777885 618453892 /nfs/dbraw/zinc/45/38/92/618453892.db2.gz UXVMMZYBTIQZPS-UHFFFAOYSA-N 2 2 315.461 3.477 20 0 DGADLP COCc1c(C)cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1C ZINC000894777885 618453896 /nfs/dbraw/zinc/45/38/96/618453896.db2.gz UXVMMZYBTIQZPS-UHFFFAOYSA-N 2 2 315.461 3.477 20 0 DGADLP C[NH+]1CCC(CNc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000893237663 618484203 /nfs/dbraw/zinc/48/42/03/618484203.db2.gz IVOXINGAFQGRQM-UHFFFAOYSA-N 2 2 322.456 3.356 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925569364 618496115 /nfs/dbraw/zinc/49/61/15/618496115.db2.gz PSCSISOMRTXSOI-WQVCFCJDSA-N 2 2 308.853 3.290 20 0 DGADLP [NH3+]CCC[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000925697601 618535638 /nfs/dbraw/zinc/53/56/38/618535638.db2.gz GYZOLICIIXPUHQ-LJQANCHMSA-N 3 2 303.494 3.369 20 0 DGADLP [NH3+]CCC[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000925697599 618535644 /nfs/dbraw/zinc/53/56/44/618535644.db2.gz GYZOLICIIXPUHQ-IBGZPJMESA-N 3 2 303.494 3.369 20 0 DGADLP CO[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895111215 618540031 /nfs/dbraw/zinc/54/00/31/618540031.db2.gz CBGLFKMTDXUNJQ-LUKYLMHMSA-N 2 2 303.450 3.116 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000895114006 618541150 /nfs/dbraw/zinc/54/11/50/618541150.db2.gz YWCDWWAOWVSPPA-BRWVUGGUSA-N 2 2 315.461 3.260 20 0 DGADLP Cc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cnc1F ZINC000895130958 618546024 /nfs/dbraw/zinc/54/60/24/618546024.db2.gz FETDBJZNFWHVRC-WKILWMFISA-N 2 2 314.408 3.201 20 0 DGADLP CO[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C12CCC2 ZINC000895132696 618546589 /nfs/dbraw/zinc/54/65/89/618546589.db2.gz YOUQLJWIGPITBO-QBPKDAKJSA-N 2 2 315.461 3.116 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccccc1OCc1ccncc1)[NH+](C)C ZINC000895299178 618589792 /nfs/dbraw/zinc/58/97/92/618589792.db2.gz GLMPCDALFLYNSY-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP C[C@H](CC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)[NH+](C)C ZINC000895293792 618589838 /nfs/dbraw/zinc/58/98/38/618589838.db2.gz RAUXAHUSZYPZLM-SNVBAGLBSA-N 2 2 315.248 3.071 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)F ZINC000925777213 618616474 /nfs/dbraw/zinc/61/64/74/618616474.db2.gz CGRVVNVIGJOBHU-QWRGUYRKSA-N 2 2 320.330 3.183 20 0 DGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780079 618617742 /nfs/dbraw/zinc/61/77/42/618617742.db2.gz RSQYXUKATHXALQ-MNOVXSKESA-N 2 2 318.795 3.244 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000925794473 618621391 /nfs/dbraw/zinc/62/13/91/618621391.db2.gz LOBLWRLKHLRPEJ-IRXDYDNUSA-N 2 2 306.425 3.025 20 0 DGADLP Clc1cc(Cl)cc(CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000893706820 618646594 /nfs/dbraw/zinc/64/65/94/618646594.db2.gz MFOYFWWLLJKGAG-CQSZACIVSA-N 2 2 310.228 3.337 20 0 DGADLP FC(F)COc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000893980095 618686502 /nfs/dbraw/zinc/68/65/02/618686502.db2.gz HADSFEDHEZKEMP-UHFFFAOYSA-N 2 2 321.371 3.433 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889682 618723517 /nfs/dbraw/zinc/72/35/17/618723517.db2.gz PKGRFOVWLPBPOZ-FZMZJTMJSA-N 2 2 316.449 3.451 20 0 DGADLP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000924959047 618749904 /nfs/dbraw/zinc/74/99/04/618749904.db2.gz RSNOZFKEZHDNQN-OHSMVPPVSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000924959047 618749907 /nfs/dbraw/zinc/74/99/07/618749907.db2.gz RSNOZFKEZHDNQN-OHSMVPPVSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375752 618776149 /nfs/dbraw/zinc/77/61/49/618776149.db2.gz DHHNELSPIZGQGN-WBVHZDCISA-N 2 2 306.498 3.190 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375752 618776151 /nfs/dbraw/zinc/77/61/51/618776151.db2.gz DHHNELSPIZGQGN-WBVHZDCISA-N 2 2 306.498 3.190 20 0 DGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000895657837 618813120 /nfs/dbraw/zinc/81/31/20/618813120.db2.gz FCXZAMOIYCOODP-LJQANCHMSA-N 2 2 321.424 3.474 20 0 DGADLP O=c1[nH]c2cccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)c2o1 ZINC000896192502 618883902 /nfs/dbraw/zinc/88/39/02/618883902.db2.gz LKFMQKDAZWOOEB-UHFFFAOYSA-N 2 2 324.384 3.005 20 0 DGADLP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000896388452 618907064 /nfs/dbraw/zinc/90/70/64/618907064.db2.gz VPPYJKDSIIOOLG-KSTDHSDQSA-N 2 2 310.482 3.103 20 0 DGADLP FC(F)SCc1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000035014530 619075298 /nfs/dbraw/zinc/07/52/98/619075298.db2.gz UCAXSRZOBAHMCL-UHFFFAOYSA-N 2 2 301.362 3.112 20 0 DGADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OC)n1 ZINC000925233533 619088917 /nfs/dbraw/zinc/08/89/17/619088917.db2.gz XJDNLYIGEKQSCI-CQSZACIVSA-N 2 2 300.406 3.028 20 0 DGADLP CCc1noc(CC)c1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925248070 619093890 /nfs/dbraw/zinc/09/38/90/619093890.db2.gz WJWUMNGMJPRNID-UHFFFAOYSA-N 2 2 307.482 3.400 20 0 DGADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000897446897 619129665 /nfs/dbraw/zinc/12/96/65/619129665.db2.gz JOUJLRNHOFUTIK-UHFFFAOYSA-N 2 2 319.474 3.476 20 0 DGADLP Fc1cc(C[NH2+][C@H]2CCOC23CCCC3)ccc1-n1cc[nH+]c1 ZINC000898113147 619215422 /nfs/dbraw/zinc/21/54/22/619215422.db2.gz UZXZAKVKSHYCGI-KRWDZBQOSA-N 2 2 315.392 3.203 20 0 DGADLP CCc1noc(C2CCC([NH2+][C@@H](CC(C)C)C[NH+](C)C)CC2)n1 ZINC000898316246 619236655 /nfs/dbraw/zinc/23/66/55/619236655.db2.gz MOAZKUVLOJJORS-GPANFISMSA-N 2 2 322.497 3.224 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924625718 619247701 /nfs/dbraw/zinc/24/77/01/619247701.db2.gz QWGUEYSZRJNXEZ-ZDUSSCGKSA-N 2 2 310.401 3.387 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924688981 619258047 /nfs/dbraw/zinc/25/80/47/619258047.db2.gz VXLLPPXSYHRDLP-QYZOEREBSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924688981 619258049 /nfs/dbraw/zinc/25/80/49/619258049.db2.gz VXLLPPXSYHRDLP-QYZOEREBSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924688981 619258051 /nfs/dbraw/zinc/25/80/51/619258051.db2.gz VXLLPPXSYHRDLP-QYZOEREBSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924688981 619258053 /nfs/dbraw/zinc/25/80/53/619258053.db2.gz VXLLPPXSYHRDLP-QYZOEREBSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)cc(F)c1 ZINC000924730142 619268624 /nfs/dbraw/zinc/26/86/24/619268624.db2.gz OZRWJURSYIKYTG-LRDDRELGSA-N 2 2 305.397 3.493 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C[NH+](C)C)c1 ZINC000924729766 619268764 /nfs/dbraw/zinc/26/87/64/619268764.db2.gz BEXCNZRIJNIKRO-MRXNPFEDSA-N 3 2 300.450 3.076 20 0 DGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(OC)n1 ZINC000924730443 619269040 /nfs/dbraw/zinc/26/90/40/619269040.db2.gz PVHSFKGWSVFYSC-GOEBONIOSA-N 2 2 316.449 3.442 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000902347174 619619951 /nfs/dbraw/zinc/61/99/51/619619951.db2.gz LRONDLRBZGHJAL-SECBINFHSA-N 2 2 304.331 3.111 20 0 DGADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(F)cc1F ZINC000902385983 619629692 /nfs/dbraw/zinc/62/96/92/619629692.db2.gz AWIISADPMOLVMU-HOTGVXAUSA-N 2 2 320.387 3.066 20 0 DGADLP [NH3+]CCCC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(F)cc1F ZINC000902385994 619629740 /nfs/dbraw/zinc/62/97/40/619629740.db2.gz AWIISADPMOLVMU-HZPDHXFCSA-N 2 2 320.387 3.066 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902731074 619666994 /nfs/dbraw/zinc/66/69/94/619666994.db2.gz IQEKTXMZJIHANW-NSHDSACASA-N 2 2 313.367 3.378 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761125 619671904 /nfs/dbraw/zinc/67/19/04/619671904.db2.gz KPYPLOPIJFCHJB-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761125 619671906 /nfs/dbraw/zinc/67/19/06/619671906.db2.gz KPYPLOPIJFCHJB-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817807 619678744 /nfs/dbraw/zinc/67/87/44/619678744.db2.gz DECJAKMWHRKQBW-GMXVVIOVSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817807 619678746 /nfs/dbraw/zinc/67/87/46/619678746.db2.gz DECJAKMWHRKQBW-GMXVVIOVSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902810504 619680758 /nfs/dbraw/zinc/68/07/58/619680758.db2.gz VRSXUPLNNZTQCY-FPTDNZKUSA-N 2 2 319.474 3.070 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000902817106 619681429 /nfs/dbraw/zinc/68/14/29/619681429.db2.gz VPNZLNKXFXVXNS-PBHICJAKSA-N 2 2 311.385 3.158 20 0 DGADLP CO[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000902910339 619692562 /nfs/dbraw/zinc/69/25/62/619692562.db2.gz HXGZAAWVMZFMKC-BXUZGUMPSA-N 2 2 313.323 3.100 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cn1 ZINC000902992781 619700645 /nfs/dbraw/zinc/70/06/45/619700645.db2.gz MPAXJBCEQVYTSZ-MWLCHTKSSA-N 2 2 310.323 3.032 20 0 DGADLP COc1ccc(Cl)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000903058197 619707471 /nfs/dbraw/zinc/70/74/71/619707471.db2.gz HOTLSPABWGOBFC-HNNXBMFYSA-N 2 2 308.853 3.410 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCOCC1 ZINC000903070868 619714947 /nfs/dbraw/zinc/71/49/47/619714947.db2.gz YKHMKNOZGHPFFI-RTBURBONSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCOCC1 ZINC000903070868 619714948 /nfs/dbraw/zinc/71/49/48/619714948.db2.gz YKHMKNOZGHPFFI-RTBURBONSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070035 619714971 /nfs/dbraw/zinc/71/49/71/619714971.db2.gz OCMOIMVFPJIPGL-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070035 619714972 /nfs/dbraw/zinc/71/49/72/619714972.db2.gz OCMOIMVFPJIPGL-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP CCCc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)o1 ZINC000903174465 619730023 /nfs/dbraw/zinc/73/00/23/619730023.db2.gz JZJBZNFPVKFKFR-VHRNVKJDSA-N 2 2 303.450 3.183 20 0 DGADLP CCCc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)o1 ZINC000903174465 619730024 /nfs/dbraw/zinc/73/00/24/619730024.db2.gz JZJBZNFPVKFKFR-VHRNVKJDSA-N 2 2 303.450 3.183 20 0 DGADLP C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903367274 619765996 /nfs/dbraw/zinc/76/59/96/619765996.db2.gz GSWDFUNRIDQCNW-HHXXYDBFSA-N 2 2 323.440 3.482 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381107 619768667 /nfs/dbraw/zinc/76/86/67/619768667.db2.gz QZYPBJZSDLIQIV-KXBFYZLASA-N 2 2 315.436 3.434 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381105 619768771 /nfs/dbraw/zinc/76/87/71/619768771.db2.gz QZYPBJZSDLIQIV-DNVCBOLYSA-N 2 2 315.436 3.434 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903804471 619816906 /nfs/dbraw/zinc/81/69/06/619816906.db2.gz HEGDFWCBRTWFIL-LPHOPBHVSA-N 2 2 311.429 3.353 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903804471 619816909 /nfs/dbraw/zinc/81/69/09/619816909.db2.gz HEGDFWCBRTWFIL-LPHOPBHVSA-N 2 2 311.429 3.353 20 0 DGADLP c1ccc([C@@H]2CCC[C@H](C[N@@H+]3CCC[C@@]34CC[NH2+]C4)O2)cc1 ZINC000903870945 619827571 /nfs/dbraw/zinc/82/75/71/619827571.db2.gz PXENYFUODFAWIP-QYZOEREBSA-N 2 2 300.446 3.125 20 0 DGADLP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@@]34CC[NH2+]C4)O2)cc1 ZINC000903870945 619827574 /nfs/dbraw/zinc/82/75/74/619827574.db2.gz PXENYFUODFAWIP-QYZOEREBSA-N 2 2 300.446 3.125 20 0 DGADLP COc1ccc2cc(C[N@H+](C)C[C@@H]([NH3+])CC(F)F)ccc2c1 ZINC000903878144 619827919 /nfs/dbraw/zinc/82/79/19/619827919.db2.gz RONYFNNGZJYWNW-HNNXBMFYSA-N 2 2 308.372 3.263 20 0 DGADLP COc1ccc2cc(C[N@@H+](C)C[C@@H]([NH3+])CC(F)F)ccc2c1 ZINC000903878144 619827921 /nfs/dbraw/zinc/82/79/21/619827921.db2.gz RONYFNNGZJYWNW-HNNXBMFYSA-N 2 2 308.372 3.263 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960065 619839807 /nfs/dbraw/zinc/83/98/07/619839807.db2.gz WHLCHTDKBHUYDG-IBGZPJMESA-N 2 2 310.445 3.042 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960065 619839809 /nfs/dbraw/zinc/83/98/09/619839809.db2.gz WHLCHTDKBHUYDG-IBGZPJMESA-N 2 2 310.445 3.042 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@H+](Cc1cccc3ccccc31)C2 ZINC000903941202 619841670 /nfs/dbraw/zinc/84/16/70/619841670.db2.gz QFCWHXFFFVJEHN-UHFFFAOYSA-N 2 2 309.438 3.313 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC000903941202 619841672 /nfs/dbraw/zinc/84/16/72/619841672.db2.gz QFCWHXFFFVJEHN-UHFFFAOYSA-N 2 2 309.438 3.313 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000903945750 619843330 /nfs/dbraw/zinc/84/33/30/619843330.db2.gz YCDQQMINBXZTMP-NXEZZACHSA-N 2 2 319.396 3.081 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000903945750 619843332 /nfs/dbraw/zinc/84/33/32/619843332.db2.gz YCDQQMINBXZTMP-NXEZZACHSA-N 2 2 319.396 3.081 20 0 DGADLP C[C@@H](C[N@@H+]1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000903945426 619843448 /nfs/dbraw/zinc/84/34/48/619843448.db2.gz UITGSNFKJUZCDB-NSHDSACASA-N 2 2 321.877 3.417 20 0 DGADLP C[C@@H](C[N@H+]1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000903945426 619843453 /nfs/dbraw/zinc/84/34/53/619843453.db2.gz UITGSNFKJUZCDB-NSHDSACASA-N 2 2 321.877 3.417 20 0 DGADLP CCSc1cccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903973091 619847756 /nfs/dbraw/zinc/84/77/56/619847756.db2.gz OELWEPLRCQUWSG-MRXNPFEDSA-N 2 2 320.502 3.047 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000903963969 619849376 /nfs/dbraw/zinc/84/93/76/619849376.db2.gz BMSXUMHFZNYGSH-YPMHNXCESA-N 2 2 321.877 3.409 20 0 DGADLP c1cn(Cc2cccc(-c3cnc([C@@H]4CCCC[NH2+]4)nc3)c2)c[nH+]1 ZINC000906159057 620061286 /nfs/dbraw/zinc/06/12/86/620061286.db2.gz QCJLEPHPXHVTKJ-SFHVURJKSA-N 2 2 319.412 3.203 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)[nH+]1 ZINC000906414557 620095992 /nfs/dbraw/zinc/09/59/92/620095992.db2.gz PUVUMEZNJGLIJK-UHFFFAOYSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C)[nH+]1 ZINC000906414557 620095995 /nfs/dbraw/zinc/09/59/95/620095995.db2.gz PUVUMEZNJGLIJK-UHFFFAOYSA-N 2 2 317.477 3.199 20 0 DGADLP CCN(CCC[NH+](CC)CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000907664249 620166666 /nfs/dbraw/zinc/16/66/66/620166666.db2.gz PHDHBRIXOVJQBO-UHFFFAOYSA-N 2 2 305.466 3.201 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000913713842 620473137 /nfs/dbraw/zinc/47/31/37/620473137.db2.gz ITCABMBATXLXKG-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000852566663 620630766 /nfs/dbraw/zinc/63/07/66/620630766.db2.gz NVWROTCKXWNYKU-ZIFCJYIRSA-N 2 2 301.478 3.114 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000852566663 620630768 /nfs/dbraw/zinc/63/07/68/620630768.db2.gz NVWROTCKXWNYKU-ZIFCJYIRSA-N 2 2 301.478 3.114 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c[nH+]1 ZINC000921588492 620912189 /nfs/dbraw/zinc/91/21/89/620912189.db2.gz FDCXEVBBRBGOGF-RYQLBKOJSA-N 2 2 311.429 3.167 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc[nH]c(=O)c2)c(C)c1 ZINC000921920245 620968967 /nfs/dbraw/zinc/96/89/67/620968967.db2.gz JKTWAYMYIZRNDN-GOSISDBHSA-N 2 2 322.412 3.132 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1Br ZINC000922016585 620980752 /nfs/dbraw/zinc/98/07/52/620980752.db2.gz CRNIXSLUTDKZGK-CYBMUJFWSA-N 2 2 320.234 3.059 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccnc1 ZINC000922631105 621070444 /nfs/dbraw/zinc/07/04/44/621070444.db2.gz IXASDXDATQMUSV-SFHVURJKSA-N 2 2 308.429 3.346 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2CCCc3cn[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000857864765 621124576 /nfs/dbraw/zinc/12/45/76/621124576.db2.gz HWMYXIFVJRCPBU-ICSRJNTNSA-N 2 2 324.472 3.289 20 0 DGADLP C[C@@]1(C[NH2+][C@H]2CCCc3cn[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000857864765 621124577 /nfs/dbraw/zinc/12/45/77/621124577.db2.gz HWMYXIFVJRCPBU-ICSRJNTNSA-N 2 2 324.472 3.289 20 0 DGADLP Cc1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859213638 621261324 /nfs/dbraw/zinc/26/13/24/621261324.db2.gz XVLCWHNNKVDQDE-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP Cc1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859213638 621261327 /nfs/dbraw/zinc/26/13/27/621261327.db2.gz XVLCWHNNKVDQDE-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP O[C@@H](C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129729 621338342 /nfs/dbraw/zinc/33/83/42/621338342.db2.gz OGVWDJSGMZOLFP-RTBURBONSA-N 2 2 314.473 3.060 20 0 DGADLP O[C@@H](C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000839129729 621338346 /nfs/dbraw/zinc/33/83/46/621338346.db2.gz OGVWDJSGMZOLFP-RTBURBONSA-N 2 2 314.473 3.060 20 0 DGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000753849189 621468410 /nfs/dbraw/zinc/46/84/10/621468410.db2.gz PPVKSBFIHSWTKO-QWXUZBRKSA-N 2 2 320.864 3.196 20 0 DGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000753849189 621468411 /nfs/dbraw/zinc/46/84/11/621468411.db2.gz PPVKSBFIHSWTKO-QWXUZBRKSA-N 2 2 320.864 3.196 20 0 DGADLP CC[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+](CC)CC ZINC000754500125 621513815 /nfs/dbraw/zinc/51/38/15/621513815.db2.gz JHGNBLCDUMGYBY-QGZVFWFLSA-N 2 2 315.417 3.036 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000863654068 621694309 /nfs/dbraw/zinc/69/43/09/621694309.db2.gz TVQDVUXPPUPUEL-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000863654068 621694311 /nfs/dbraw/zinc/69/43/11/621694311.db2.gz TVQDVUXPPUPUEL-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865416950 621915463 /nfs/dbraw/zinc/91/54/63/621915463.db2.gz RSTHUKHRSLFPOA-CHWSQXEVSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865416950 621915467 /nfs/dbraw/zinc/91/54/67/621915467.db2.gz RSTHUKHRSLFPOA-CHWSQXEVSA-N 2 2 314.351 3.144 20 0 DGADLP CC(C)([NH2+]CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000760854969 621968711 /nfs/dbraw/zinc/96/87/11/621968711.db2.gz QZHGGXPHXGLULJ-UHFFFAOYSA-N 2 2 311.267 3.370 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865731476 621985411 /nfs/dbraw/zinc/98/54/11/621985411.db2.gz OZZLAVBYZDDSFG-NSHDSACASA-N 2 2 310.323 3.218 20 0 DGADLP CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000865806721 621998453 /nfs/dbraw/zinc/99/84/53/621998453.db2.gz SYRCKHONOBRLJO-GOSISDBHSA-N 2 2 324.453 3.210 20 0 DGADLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000866206086 622065969 /nfs/dbraw/zinc/06/59/69/622065969.db2.gz BEHFAHMRYGGQFG-DOMZBBRYSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000866206086 622065972 /nfs/dbraw/zinc/06/59/72/622065972.db2.gz BEHFAHMRYGGQFG-DOMZBBRYSA-N 2 2 301.821 3.419 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000866245200 622075083 /nfs/dbraw/zinc/07/50/83/622075083.db2.gz YUTSCBQKDGMIEF-INIZCTEOSA-N 2 2 306.413 3.378 20 0 DGADLP Cc1cc2ncn(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2cc1C ZINC000121031135 622100749 /nfs/dbraw/zinc/10/07/49/622100749.db2.gz ONGDWARHTRPGMD-QGZVFWFLSA-N 2 2 322.412 3.159 20 0 DGADLP Cc1cc2ncn(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2cc1C ZINC000121031135 622100750 /nfs/dbraw/zinc/10/07/50/622100750.db2.gz ONGDWARHTRPGMD-QGZVFWFLSA-N 2 2 322.412 3.159 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361288 622103041 /nfs/dbraw/zinc/10/30/41/622103041.db2.gz MHPFVOBHZYRERH-PBHICJAKSA-N 2 2 320.440 3.426 20 0 DGADLP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705238 622158911 /nfs/dbraw/zinc/15/89/11/622158911.db2.gz VZPQPJHTLCKTBH-DYVFJYSZSA-N 2 2 308.470 3.170 20 0 DGADLP CCCCc1noc([C@@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705238 622158913 /nfs/dbraw/zinc/15/89/13/622158913.db2.gz VZPQPJHTLCKTBH-DYVFJYSZSA-N 2 2 308.470 3.170 20 0 DGADLP CC(C)OCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000764576876 622204058 /nfs/dbraw/zinc/20/40/58/622204058.db2.gz YLYKFMMHPHGBGS-UHFFFAOYSA-N 2 2 319.493 3.126 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn(C(C)C)nc32)[C@@H](C)C1 ZINC000765813216 622289313 /nfs/dbraw/zinc/28/93/13/622289313.db2.gz BQIZBJOXTBBWRB-XIRDDKMYSA-N 2 2 304.482 3.161 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn(C(C)C)nc32)[C@@H](C)C1 ZINC000765813216 622289315 /nfs/dbraw/zinc/28/93/15/622289315.db2.gz BQIZBJOXTBBWRB-XIRDDKMYSA-N 2 2 304.482 3.161 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3cc(C)ccc32)CC1 ZINC000765861107 622291640 /nfs/dbraw/zinc/29/16/40/622291640.db2.gz QNERONSRPDTOMR-IBGZPJMESA-N 2 2 316.489 3.461 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000767414905 622397352 /nfs/dbraw/zinc/39/73/52/622397352.db2.gz LHDDPGPDMHSIQP-APWZRJJASA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000767414905 622397355 /nfs/dbraw/zinc/39/73/55/622397355.db2.gz LHDDPGPDMHSIQP-APWZRJJASA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414905 622397356 /nfs/dbraw/zinc/39/73/56/622397356.db2.gz LHDDPGPDMHSIQP-APWZRJJASA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414905 622397359 /nfs/dbraw/zinc/39/73/59/622397359.db2.gz LHDDPGPDMHSIQP-APWZRJJASA-N 2 2 314.473 3.341 20 0 DGADLP COCCCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122733633 622397373 /nfs/dbraw/zinc/39/73/73/622397373.db2.gz FYAIHBOFELOUDV-UHFFFAOYSA-N 2 2 319.493 3.128 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000123098002 622463510 /nfs/dbraw/zinc/46/35/10/622463510.db2.gz XBWGPKMPGYULEQ-DOTOQJQBSA-N 2 2 322.493 3.201 20 0 DGADLP C[C@H](CC(=O)OC[C@H]1CC[N@@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731937 622504289 /nfs/dbraw/zinc/50/42/89/622504289.db2.gz CVSUUNWSLUTASE-NVXWUHKLSA-N 2 2 319.449 3.175 20 0 DGADLP C[C@H](CC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731937 622504290 /nfs/dbraw/zinc/50/42/90/622504290.db2.gz CVSUUNWSLUTASE-NVXWUHKLSA-N 2 2 319.449 3.175 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2CCOC3(CCCC3)C2)[nH+]c1 ZINC000872030666 622762873 /nfs/dbraw/zinc/76/28/73/622762873.db2.gz AKSPZISMOOTFIS-INIZCTEOSA-N 2 2 303.450 3.355 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086991 622796861 /nfs/dbraw/zinc/79/68/61/622796861.db2.gz DFUNSAJJSIYPAP-HIFRSBDPSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086991 622796866 /nfs/dbraw/zinc/79/68/66/622796866.db2.gz DFUNSAJJSIYPAP-HIFRSBDPSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872108910 622810544 /nfs/dbraw/zinc/81/05/44/622810544.db2.gz DUPLZRDZPVFQDG-FXECBMLZSA-N 2 2 311.429 3.481 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872145524 622832710 /nfs/dbraw/zinc/83/27/10/622832710.db2.gz SPIZQBBFMPBBGV-CQSZACIVSA-N 2 2 304.356 3.495 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872145524 622832719 /nfs/dbraw/zinc/83/27/19/622832719.db2.gz SPIZQBBFMPBBGV-CQSZACIVSA-N 2 2 304.356 3.495 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000872149253 622832855 /nfs/dbraw/zinc/83/28/55/622832855.db2.gz MYESMIFXJKSSBP-KOLCDFICSA-N 2 2 324.749 3.091 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000872149253 622832859 /nfs/dbraw/zinc/83/28/59/622832859.db2.gz MYESMIFXJKSSBP-KOLCDFICSA-N 2 2 324.749 3.091 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149249 622833347 /nfs/dbraw/zinc/83/33/47/622833347.db2.gz MYCQADSDIIDTKU-KGLIPLIRSA-N 2 2 316.367 3.043 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149249 622833350 /nfs/dbraw/zinc/83/33/50/622833350.db2.gz MYCQADSDIIDTKU-KGLIPLIRSA-N 2 2 316.367 3.043 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149251 622833362 /nfs/dbraw/zinc/83/33/62/622833362.db2.gz MYCQADSDIIDTKU-ZIAGYGMSSA-N 2 2 316.367 3.043 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149251 622833364 /nfs/dbraw/zinc/83/33/64/622833364.db2.gz MYCQADSDIIDTKU-ZIAGYGMSSA-N 2 2 316.367 3.043 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(F)n2)CC1 ZINC000773088221 622982085 /nfs/dbraw/zinc/98/20/85/622982085.db2.gz OKIYFWYTMAXVPQ-WMLDXEAASA-N 2 2 305.441 3.353 20 0 DGADLP FC[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc(F)cc1 ZINC000873223157 623079811 /nfs/dbraw/zinc/07/98/11/623079811.db2.gz KYMLDMLSGQJUNT-OAHLLOKOSA-N 2 2 308.397 3.333 20 0 DGADLP FC(F)(F)COc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873229625 623082729 /nfs/dbraw/zinc/08/27/29/623082729.db2.gz CUDDRMNTFAUALM-GJZGRUSLSA-N 2 2 314.351 3.002 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000774132556 623110747 /nfs/dbraw/zinc/11/07/47/623110747.db2.gz BOTXHKSEDJXUTN-SWLSCSKDSA-N 2 2 319.405 3.028 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000775020557 623217849 /nfs/dbraw/zinc/21/78/49/623217849.db2.gz JFMKBCNYDWZROV-KRWDZBQOSA-N 2 2 313.426 3.065 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000778188105 623622050 /nfs/dbraw/zinc/62/20/50/623622050.db2.gz QXEQEVMBVGQQMG-SNVBAGLBSA-N 2 2 313.373 3.037 20 0 DGADLP Fc1cccc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cnc12 ZINC000876650063 623670427 /nfs/dbraw/zinc/67/04/27/623670427.db2.gz MQHJICBYEVFWGC-UHFFFAOYSA-N 2 2 310.376 3.477 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000876762870 623700036 /nfs/dbraw/zinc/70/00/36/623700036.db2.gz AYTCODIRCMZMFY-NEPJUHHUSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000876762870 623700041 /nfs/dbraw/zinc/70/00/41/623700041.db2.gz AYTCODIRCMZMFY-NEPJUHHUSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762870 623700043 /nfs/dbraw/zinc/70/00/43/623700043.db2.gz AYTCODIRCMZMFY-NEPJUHHUSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762870 623700047 /nfs/dbraw/zinc/70/00/47/623700047.db2.gz AYTCODIRCMZMFY-NEPJUHHUSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@@H+]1C ZINC000876765536 623701763 /nfs/dbraw/zinc/70/17/63/623701763.db2.gz SSHJSAIFPARTFY-CJNGLKHVSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@H+]1C ZINC000876765536 623701768 /nfs/dbraw/zinc/70/17/68/623701768.db2.gz SSHJSAIFPARTFY-CJNGLKHVSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765536 623701774 /nfs/dbraw/zinc/70/17/74/623701774.db2.gz SSHJSAIFPARTFY-CJNGLKHVSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765536 623701782 /nfs/dbraw/zinc/70/17/82/623701782.db2.gz SSHJSAIFPARTFY-CJNGLKHVSA-N 2 2 301.409 3.288 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813155 623714072 /nfs/dbraw/zinc/71/40/72/623714072.db2.gz SALYHBLPDWOMJO-DOMZBBRYSA-N 2 2 319.836 3.397 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813155 623714074 /nfs/dbraw/zinc/71/40/74/623714074.db2.gz SALYHBLPDWOMJO-DOMZBBRYSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813155 623714078 /nfs/dbraw/zinc/71/40/78/623714078.db2.gz SALYHBLPDWOMJO-DOMZBBRYSA-N 2 2 319.836 3.397 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(ccnc4Cl)o3)CC[C@@H]21 ZINC000876813155 623714081 /nfs/dbraw/zinc/71/40/81/623714081.db2.gz SALYHBLPDWOMJO-DOMZBBRYSA-N 2 2 319.836 3.397 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]CC3CCSCC3)cc2)CC1 ZINC000876819821 623717045 /nfs/dbraw/zinc/71/70/45/623717045.db2.gz FOSPZGILUXDTBV-UHFFFAOYSA-N 2 2 319.518 3.384 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876928929 623746907 /nfs/dbraw/zinc/74/69/07/623746907.db2.gz DOQDDNGRMHAYBF-JTQLQIEISA-N 2 2 306.822 3.325 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000876934136 623747703 /nfs/dbraw/zinc/74/77/03/623747703.db2.gz BRBWASMVSAVKOX-IPMKNSEASA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000876934136 623747706 /nfs/dbraw/zinc/74/77/06/623747706.db2.gz BRBWASMVSAVKOX-IPMKNSEASA-N 2 2 302.462 3.369 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000876931673 623748354 /nfs/dbraw/zinc/74/83/54/623748354.db2.gz RKMYGLHXPCMZKM-AVYPCKFXSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000876931673 623748356 /nfs/dbraw/zinc/74/83/56/623748356.db2.gz RKMYGLHXPCMZKM-AVYPCKFXSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000877037673 623772627 /nfs/dbraw/zinc/77/26/27/623772627.db2.gz VBZCRHNRWXVITC-MDOVXXIYSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000877037673 623772630 /nfs/dbraw/zinc/77/26/30/623772630.db2.gz VBZCRHNRWXVITC-MDOVXXIYSA-N 2 2 304.415 3.173 20 0 DGADLP CSC(C)(C)CCNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000877117179 623795221 /nfs/dbraw/zinc/79/52/21/623795221.db2.gz MLMCYGMWHZELNT-OAHLLOKOSA-N 2 2 322.522 3.166 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531612 623927396 /nfs/dbraw/zinc/92/73/96/623927396.db2.gz PSYLYZSCJOFFLJ-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531612 623927402 /nfs/dbraw/zinc/92/74/02/623927402.db2.gz PSYLYZSCJOFFLJ-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531612 623927408 /nfs/dbraw/zinc/92/74/08/623927408.db2.gz PSYLYZSCJOFFLJ-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531612 623927412 /nfs/dbraw/zinc/92/74/12/623927412.db2.gz PSYLYZSCJOFFLJ-UONOGXRCSA-N 2 2 307.507 3.357 20 0 DGADLP Clc1ccc2sc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2n1 ZINC000877539239 623932376 /nfs/dbraw/zinc/93/23/76/623932376.db2.gz LEKXFRCGDMAKRL-VIFPVBQESA-N 2 2 318.833 3.320 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000877619496 623964833 /nfs/dbraw/zinc/96/48/33/623964833.db2.gz AWLCBFQFRIZTBA-MNVSYLFESA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000877619496 623964838 /nfs/dbraw/zinc/96/48/38/623964838.db2.gz AWLCBFQFRIZTBA-MNVSYLFESA-N 2 2 304.415 3.172 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(F)ccc2N(C)C)CC1 ZINC000877690287 623994030 /nfs/dbraw/zinc/99/40/30/623994030.db2.gz PTVGBSDZDOIMAU-UHFFFAOYSA-N 2 2 307.457 3.198 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738398 624010559 /nfs/dbraw/zinc/01/05/59/624010559.db2.gz BNAPMZCLJZAQAP-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738398 624010562 /nfs/dbraw/zinc/01/05/62/624010562.db2.gz BNAPMZCLJZAQAP-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738398 624010564 /nfs/dbraw/zinc/01/05/64/624010564.db2.gz BNAPMZCLJZAQAP-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738398 624010569 /nfs/dbraw/zinc/01/05/69/624010569.db2.gz BNAPMZCLJZAQAP-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)n1-c1ccccc1 ZINC000877737115 624010711 /nfs/dbraw/zinc/01/07/11/624010711.db2.gz CSMUXRPGALGBJX-HOTGVXAUSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)n1-c1ccccc1 ZINC000877737115 624010714 /nfs/dbraw/zinc/01/07/14/624010714.db2.gz CSMUXRPGALGBJX-HOTGVXAUSA-N 2 2 313.470 3.366 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738397 624011287 /nfs/dbraw/zinc/01/12/87/624011287.db2.gz BNAPMZCLJZAQAP-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738397 624011291 /nfs/dbraw/zinc/01/12/91/624011291.db2.gz BNAPMZCLJZAQAP-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738397 624011295 /nfs/dbraw/zinc/01/12/95/624011295.db2.gz BNAPMZCLJZAQAP-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738397 624011297 /nfs/dbraw/zinc/01/12/97/624011297.db2.gz BNAPMZCLJZAQAP-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744897 624017094 /nfs/dbraw/zinc/01/70/94/624017094.db2.gz YTNITSZGQHOJHB-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744897 624017102 /nfs/dbraw/zinc/01/71/02/624017102.db2.gz YTNITSZGQHOJHB-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744897 624017105 /nfs/dbraw/zinc/01/71/05/624017105.db2.gz YTNITSZGQHOJHB-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744897 624017112 /nfs/dbraw/zinc/01/71/12/624017112.db2.gz YTNITSZGQHOJHB-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000877794847 624036419 /nfs/dbraw/zinc/03/64/19/624036419.db2.gz SFIJHQCDYAVEPU-UHFFFAOYSA-N 2 2 324.472 3.470 20 0 DGADLP c1cn(C2CC[NH+](C[C@H]3CC[C@H](c4ccccc4)O3)CC2)c[nH+]1 ZINC000878172889 624202113 /nfs/dbraw/zinc/20/21/13/624202113.db2.gz NUQGWKQOQMYCFD-RTBURBONSA-N 2 2 311.429 3.440 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283015 624235029 /nfs/dbraw/zinc/23/50/29/624235029.db2.gz CSHMZVSDUYUNNA-DOMZBBRYSA-N 2 2 304.825 3.323 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc1Cl ZINC000878283015 624235030 /nfs/dbraw/zinc/23/50/30/624235030.db2.gz CSHMZVSDUYUNNA-DOMZBBRYSA-N 2 2 304.825 3.323 20 0 DGADLP c1cn(CCCC[NH2+][C@H](c2ccccc2)C2CCOCC2)c[nH+]1 ZINC000782755917 624280163 /nfs/dbraw/zinc/28/01/63/624280163.db2.gz BVDFFKDZHHFZJV-LJQANCHMSA-N 2 2 313.445 3.421 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878521983 624297739 /nfs/dbraw/zinc/29/77/39/624297739.db2.gz HJWCBMIUCXEFKI-VDZJLULYSA-N 2 2 316.445 3.191 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000783244789 624330108 /nfs/dbraw/zinc/33/01/08/624330108.db2.gz WCSZHADGLFNTEJ-IEBWSBKVSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000783244789 624330109 /nfs/dbraw/zinc/33/01/09/624330109.db2.gz WCSZHADGLFNTEJ-IEBWSBKVSA-N 2 2 304.478 3.302 20 0 DGADLP CCOCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000783425279 624348483 /nfs/dbraw/zinc/34/84/83/624348483.db2.gz RAIVCMIIIUBTQM-INIZCTEOSA-N 2 2 315.417 3.162 20 0 DGADLP CCOCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000783425279 624348485 /nfs/dbraw/zinc/34/84/85/624348485.db2.gz RAIVCMIIIUBTQM-INIZCTEOSA-N 2 2 315.417 3.162 20 0 DGADLP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000879201540 624449675 /nfs/dbraw/zinc/44/96/75/624449675.db2.gz LVQRYMVSIJWZTO-LJQANCHMSA-N 2 2 316.489 3.287 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573817 624595518 /nfs/dbraw/zinc/59/55/18/624595518.db2.gz SBFGPYSWLDMITM-QFBILLFUSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573817 624595525 /nfs/dbraw/zinc/59/55/25/624595525.db2.gz SBFGPYSWLDMITM-QFBILLFUSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573817 624595529 /nfs/dbraw/zinc/59/55/29/624595529.db2.gz SBFGPYSWLDMITM-QFBILLFUSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@H]21 ZINC000879573817 624595536 /nfs/dbraw/zinc/59/55/36/624595536.db2.gz SBFGPYSWLDMITM-QFBILLFUSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580289 624597274 /nfs/dbraw/zinc/59/72/74/624597274.db2.gz SGGROWDIOSESPB-WFASDCNBSA-N 2 2 312.429 3.083 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580289 624597291 /nfs/dbraw/zinc/59/72/91/624597291.db2.gz SGGROWDIOSESPB-WFASDCNBSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580289 624597306 /nfs/dbraw/zinc/59/73/06/624597306.db2.gz SGGROWDIOSESPB-WFASDCNBSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@@H]21 ZINC000879580289 624597313 /nfs/dbraw/zinc/59/73/13/624597313.db2.gz SGGROWDIOSESPB-WFASDCNBSA-N 2 2 312.429 3.083 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580333 624597514 /nfs/dbraw/zinc/59/75/14/624597514.db2.gz SOMFVJDJBJBUPS-RDJZCZTQSA-N 2 2 317.864 3.321 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580333 624597519 /nfs/dbraw/zinc/59/75/19/624597519.db2.gz SOMFVJDJBJBUPS-RDJZCZTQSA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580333 624597527 /nfs/dbraw/zinc/59/75/27/624597527.db2.gz SOMFVJDJBJBUPS-RDJZCZTQSA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580333 624597536 /nfs/dbraw/zinc/59/75/36/624597536.db2.gz SOMFVJDJBJBUPS-RDJZCZTQSA-N 2 2 317.864 3.321 20 0 DGADLP Cc1cccc(CCC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880204092 624838428 /nfs/dbraw/zinc/83/84/28/624838428.db2.gz RRSOIAAFXISKKX-HXUWFJFHSA-N 2 2 316.489 3.161 20 0 DGADLP Cc1cccc(CCC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880204092 624838431 /nfs/dbraw/zinc/83/84/31/624838431.db2.gz RRSOIAAFXISKKX-HXUWFJFHSA-N 2 2 316.489 3.161 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209670 624844117 /nfs/dbraw/zinc/84/41/17/624844117.db2.gz XDHCOIRXDNWAAC-QUCCMNQESA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209670 624844124 /nfs/dbraw/zinc/84/41/24/624844124.db2.gz XDHCOIRXDNWAAC-QUCCMNQESA-N 2 2 314.473 3.297 20 0 DGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209218 624844894 /nfs/dbraw/zinc/84/48/94/624844894.db2.gz QNWDFTFHNNFSQF-SFHVURJKSA-N 2 2 302.462 3.036 20 0 DGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209218 624844898 /nfs/dbraw/zinc/84/48/98/624844898.db2.gz QNWDFTFHNNFSQF-SFHVURJKSA-N 2 2 302.462 3.036 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)c1ccccc1 ZINC000880462170 624961297 /nfs/dbraw/zinc/96/12/97/624961297.db2.gz PWYVNNJFTHONHY-FQEVSTJZSA-N 2 2 321.424 3.428 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)c1ccccc1 ZINC000880462170 624961301 /nfs/dbraw/zinc/96/13/01/624961301.db2.gz PWYVNNJFTHONHY-FQEVSTJZSA-N 2 2 321.424 3.428 20 0 DGADLP Cc1ccc(C(=O)CC[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880473786 624964510 /nfs/dbraw/zinc/96/45/10/624964510.db2.gz OHHQVYAOGJKLMW-UHFFFAOYSA-N 2 2 300.446 3.128 20 0 DGADLP c1cn(C[C@H]([NH2+]CCOCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000880569063 624979096 /nfs/dbraw/zinc/97/90/96/624979096.db2.gz HIIPBVJHZYIUPK-FQEVSTJZSA-N 2 2 321.424 3.431 20 0 DGADLP c1cn(C[C@@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)c2ccccc2)c[nH+]1 ZINC000880569704 624979482 /nfs/dbraw/zinc/97/94/82/624979482.db2.gz IFOKHULDTHUIMG-ZWKOTPCHSA-N 2 2 311.429 3.173 20 0 DGADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC(C)C ZINC000880569795 624979505 /nfs/dbraw/zinc/97/95/05/624979505.db2.gz PBLRHWDNHKRCGO-QZTJIDSGSA-N 2 2 301.434 3.275 20 0 DGADLP c1cn(C[C@@H]([NH2+]CCOCC2CCCC2)c2ccccc2)c[nH+]1 ZINC000880570291 624980224 /nfs/dbraw/zinc/98/02/24/624980224.db2.gz VUWAPYRLCJGODR-LJQANCHMSA-N 2 2 313.445 3.421 20 0 DGADLP CN(C)c1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572223 624980232 /nfs/dbraw/zinc/98/02/32/624980232.db2.gz YNKIRZAPRAEJGK-LJQANCHMSA-N 2 2 320.440 3.480 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c2)[nH+]c1C ZINC000787163727 624984514 /nfs/dbraw/zinc/98/45/14/624984514.db2.gz XIYDKCCAGLFVEM-KRWDZBQOSA-N 2 2 324.428 3.259 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)[nH+]c1C ZINC000787163727 624984518 /nfs/dbraw/zinc/98/45/18/624984518.db2.gz XIYDKCCAGLFVEM-KRWDZBQOSA-N 2 2 324.428 3.259 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000788500207 625199974 /nfs/dbraw/zinc/19/99/74/625199974.db2.gz ZDWAIMLCUKSVIN-QAPCUYQASA-N 2 2 311.429 3.275 20 0 DGADLP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1sccc1Cl ZINC000883175303 625953932 /nfs/dbraw/zinc/95/39/32/625953932.db2.gz DDYPFRGZUCEFKT-CQSZACIVSA-N 2 2 316.898 3.289 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797064764 626109731 /nfs/dbraw/zinc/10/97/31/626109731.db2.gz JMZHOODFZRQLBU-RDTXWAMCSA-N 2 2 319.518 3.063 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800971907 626387175 /nfs/dbraw/zinc/38/71/75/626387175.db2.gz YHCNRCAGJZCFRF-BEVDRBHNSA-N 2 2 313.489 3.500 20 0 DGADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)n1 ZINC000883301315 626639364 /nfs/dbraw/zinc/63/93/64/626639364.db2.gz WNPBMCRGLICMDI-UHFFFAOYSA-N 2 2 316.836 3.197 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322514 626647123 /nfs/dbraw/zinc/64/71/23/626647123.db2.gz JBEAVAXEVKTVHV-CZKCSJLSSA-N 2 2 313.489 3.460 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322514 626647125 /nfs/dbraw/zinc/64/71/25/626647125.db2.gz JBEAVAXEVKTVHV-CZKCSJLSSA-N 2 2 313.489 3.460 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883342268 626654478 /nfs/dbraw/zinc/65/44/78/626654478.db2.gz QXVBFZRKJLTRKR-QAPCUYQASA-N 2 2 305.466 3.247 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883342268 626654479 /nfs/dbraw/zinc/65/44/79/626654479.db2.gz QXVBFZRKJLTRKR-QAPCUYQASA-N 2 2 305.466 3.247 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(CO)c1 ZINC000883386220 626668496 /nfs/dbraw/zinc/66/84/96/626668496.db2.gz BUHGECNWJPYIMJ-OXJNMPFZSA-N 2 2 321.424 3.468 20 0 DGADLP C[C@@H](CC1CCOCC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387252 626668758 /nfs/dbraw/zinc/66/87/58/626668758.db2.gz UPMPMZMZYDKWGX-LPHOPBHVSA-N 2 2 313.445 3.419 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387290 626668893 /nfs/dbraw/zinc/66/88/93/626668893.db2.gz VFQDJRGEWHYJBJ-MSOLQXFVSA-N 2 2 301.434 3.419 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387917 626669696 /nfs/dbraw/zinc/66/96/96/626669696.db2.gz IGDHPOTWZFBZRQ-MAUKXSAKSA-N 2 2 307.401 3.074 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])C(C)(C)O1 ZINC000883434689 626681533 /nfs/dbraw/zinc/68/15/33/626681533.db2.gz YMPRJYAGVHAZRB-WBVHZDCISA-N 2 2 302.462 3.138 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])C(C)(C)O1 ZINC000883434689 626681535 /nfs/dbraw/zinc/68/15/35/626681535.db2.gz YMPRJYAGVHAZRB-WBVHZDCISA-N 2 2 302.462 3.138 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@@H]1CC ZINC000806154066 626702984 /nfs/dbraw/zinc/70/29/84/626702984.db2.gz BAPDCJKZJVEMFB-RDJZCZTQSA-N 2 2 317.477 3.438 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000133431741 626786566 /nfs/dbraw/zinc/78/65/66/626786566.db2.gz IXJMRVXZQKBGFG-NTZNESFSSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000808442998 626824802 /nfs/dbraw/zinc/82/48/02/626824802.db2.gz QRIZTMRHGGWWNS-KXBFYZLASA-N 2 2 307.397 3.084 20 0 DGADLP O[C@@H](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000809745836 626945220 /nfs/dbraw/zinc/94/52/20/626945220.db2.gz HCYBZSVBOGTUKW-IBGZPJMESA-N 2 2 307.397 3.086 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)nc1 ZINC000810211381 626988436 /nfs/dbraw/zinc/98/84/36/626988436.db2.gz QMMDLVFXBWULBX-GFCCVEGCSA-N 2 2 323.238 3.172 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)C2 ZINC000810253534 626993053 /nfs/dbraw/zinc/99/30/53/626993053.db2.gz WEIOGMMMSZWKAE-VQIMIIECSA-N 2 2 311.429 3.025 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccccc1 ZINC000810253197 626993502 /nfs/dbraw/zinc/99/35/02/626993502.db2.gz NZNBSIJNJYFTCF-DZGCQCFKSA-N 2 2 321.428 3.112 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000885919037 627060047 /nfs/dbraw/zinc/06/00/47/627060047.db2.gz HZXBBNPPZSVSLR-RTBURBONSA-N 2 2 313.445 3.369 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000885941415 627065246 /nfs/dbraw/zinc/06/52/46/627065246.db2.gz ALOGVEKUAYKEDT-CVEARBPZSA-N 2 2 317.408 3.449 20 0 DGADLP C[C@@H](COCc1ccccc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000886035463 627090066 /nfs/dbraw/zinc/09/00/66/627090066.db2.gz MYEOYGCRZMVUSB-QGZVFWFLSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164396 627115863 /nfs/dbraw/zinc/11/58/63/627115863.db2.gz JVUBPFWDZBECFJ-MFHCWRBVSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164396 627115864 /nfs/dbraw/zinc/11/58/64/627115864.db2.gz JVUBPFWDZBECFJ-MFHCWRBVSA-N 2 2 313.489 3.318 20 0 DGADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000886594267 627169361 /nfs/dbraw/zinc/16/93/61/627169361.db2.gz JAAHIBLNOYSKKT-CXAGYDPISA-N 2 2 324.403 3.486 20 0 DGADLP c1cn(C[C@H]([NH2+][C@H]2CCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000886652102 627181333 /nfs/dbraw/zinc/18/13/33/627181333.db2.gz ZWTZDBRSMCRSPQ-ROUUACIJSA-N 2 2 304.397 3.297 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)[nH+]c1C ZINC000886659964 627183120 /nfs/dbraw/zinc/18/31/20/627183120.db2.gz ZTNQGPQCYRBXQI-UHFFFAOYSA-N 2 2 314.433 3.273 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCOc2ccccc2OC)CC1 ZINC000886709401 627195590 /nfs/dbraw/zinc/19/55/90/627195590.db2.gz QAEGIEJRVOBFNB-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000886719945 627197386 /nfs/dbraw/zinc/19/73/86/627197386.db2.gz NJWYUSCQCWDPKH-UHFFFAOYSA-N 2 2 301.478 3.457 20 0 DGADLP CC[N@H+](C)[C@@H](C(=O)OCC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236511 627296875 /nfs/dbraw/zinc/29/68/75/627296875.db2.gz VRVRGHSKESDNRA-QZTJIDSGSA-N 2 2 318.461 3.097 20 0 DGADLP CC[N@@H+](C)[C@@H](C(=O)OCC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236511 627296877 /nfs/dbraw/zinc/29/68/77/627296877.db2.gz VRVRGHSKESDNRA-QZTJIDSGSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000840236511 627296880 /nfs/dbraw/zinc/29/68/80/627296880.db2.gz VRVRGHSKESDNRA-QZTJIDSGSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@@H](C(=O)OCC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000840236511 627296882 /nfs/dbraw/zinc/29/68/82/627296882.db2.gz VRVRGHSKESDNRA-QZTJIDSGSA-N 2 2 318.461 3.097 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000813858428 627516950 /nfs/dbraw/zinc/51/69/50/627516950.db2.gz ZNGWCCQJZCUXMQ-MDZRGWNJSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000813858428 627516953 /nfs/dbraw/zinc/51/69/53/627516953.db2.gz ZNGWCCQJZCUXMQ-MDZRGWNJSA-N 2 2 320.452 3.367 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000924528718 627644395 /nfs/dbraw/zinc/64/43/95/627644395.db2.gz QJWDITXDLIWWDW-LBPRGKRZSA-N 2 2 314.271 3.227 20 0 DGADLP c1cn(CCC[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)c[nH+]1 ZINC000924533062 627646057 /nfs/dbraw/zinc/64/60/57/627646057.db2.gz IPVYFJHBAJMPSQ-HXUWFJFHSA-N 2 2 320.440 3.112 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924625032 627659463 /nfs/dbraw/zinc/65/94/63/627659463.db2.gz DVFXXTGWPFXHNB-VQTJNVASSA-N 2 2 324.472 3.021 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924625032 627659464 /nfs/dbraw/zinc/65/94/64/627659464.db2.gz DVFXXTGWPFXHNB-VQTJNVASSA-N 2 2 324.472 3.021 20 0 DGADLP c1c(CC[NH2+][C@@H](c2ccccn2)C2CCC2)[nH+]c2n1CCCC2 ZINC000924646155 627662248 /nfs/dbraw/zinc/66/22/48/627662248.db2.gz QSWZWNZYTZGNLD-LJQANCHMSA-N 2 2 310.445 3.288 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924682895 627666439 /nfs/dbraw/zinc/66/64/39/627666439.db2.gz YMTAVBRSGKQDKS-OALUTQOASA-N 3 2 307.526 3.105 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000924682895 627666443 /nfs/dbraw/zinc/66/64/43/627666443.db2.gz YMTAVBRSGKQDKS-OALUTQOASA-N 3 2 307.526 3.105 20 0 DGADLP C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cn2c([nH+]1)CCCC2 ZINC000924693645 627668578 /nfs/dbraw/zinc/66/85/78/627668578.db2.gz FIZOBBFHVGDRHX-MAUKXSAKSA-N 2 2 318.509 3.381 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(Br)CC1 ZINC000924770813 627678697 /nfs/dbraw/zinc/67/86/97/627678697.db2.gz UARMBUIKTLWADD-GFCCVEGCSA-N 2 2 320.234 3.278 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576792 627686180 /nfs/dbraw/zinc/68/61/80/627686180.db2.gz YOLRWMTZDUUVPG-GDIGMMSISA-N 2 2 300.446 3.078 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C2CC2)c1 ZINC000815576792 627686184 /nfs/dbraw/zinc/68/61/84/627686184.db2.gz YOLRWMTZDUUVPG-GDIGMMSISA-N 2 2 300.446 3.078 20 0 DGADLP Clc1ccnc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924841346 627686436 /nfs/dbraw/zinc/68/64/36/627686436.db2.gz BRYICEADPQLBBA-INIZCTEOSA-N 2 2 305.853 3.329 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873390 627689162 /nfs/dbraw/zinc/68/91/62/627689162.db2.gz KUKOBMJBWVKNAJ-GJZGRUSLSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn(C)cn1 ZINC000924873390 627689167 /nfs/dbraw/zinc/68/91/67/627689167.db2.gz KUKOBMJBWVKNAJ-GJZGRUSLSA-N 2 2 318.490 3.044 20 0 DGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889635 627690632 /nfs/dbraw/zinc/69/06/32/627690632.db2.gz PDZXBRLZZOCZEY-VCBZYWHSSA-N 2 2 321.509 3.415 20 0 DGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+](CCC(C)C)CC3)cn2c1 ZINC000924950061 627696297 /nfs/dbraw/zinc/69/62/97/627696297.db2.gz NHWUPCBIQQMSAA-UHFFFAOYSA-N 2 2 314.477 3.243 20 0 DGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)[N@H+](C)C1CC1 ZINC000924968506 627698828 /nfs/dbraw/zinc/69/88/28/627698828.db2.gz ZMSLWCQNHCNPMC-XLIONFOSSA-N 2 2 323.484 3.308 20 0 DGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)[N@@H+](C)C1CC1 ZINC000924968506 627698830 /nfs/dbraw/zinc/69/88/30/627698830.db2.gz ZMSLWCQNHCNPMC-XLIONFOSSA-N 2 2 323.484 3.308 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198012 627717948 /nfs/dbraw/zinc/71/79/48/627717948.db2.gz QMEBDSUFDYMJOK-NQIIRXRSSA-N 2 2 323.484 3.167 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198012 627717954 /nfs/dbraw/zinc/71/79/54/627717954.db2.gz QMEBDSUFDYMJOK-NQIIRXRSSA-N 2 2 323.484 3.167 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000925493263 627741987 /nfs/dbraw/zinc/74/19/87/627741987.db2.gz JSJQSMWPUUTQTM-UZLBHIALSA-N 2 2 309.457 3.334 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000925535665 627749565 /nfs/dbraw/zinc/74/95/65/627749565.db2.gz IMCJVHKQSJMXSJ-OXJNMPFZSA-N 2 2 320.440 3.093 20 0 DGADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1OC(F)F ZINC000925538601 627750035 /nfs/dbraw/zinc/75/00/35/627750035.db2.gz VLPCBANQIUMAAB-LFDYHEEJSA-N 2 2 322.399 3.325 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000925548482 627752023 /nfs/dbraw/zinc/75/20/23/627752023.db2.gz CFRVSLJJDHTKDL-UZLBHIALSA-N 2 2 320.440 3.093 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925556640 627753062 /nfs/dbraw/zinc/75/30/62/627753062.db2.gz HZXFEDIAQJALPY-KRWDZBQOSA-N 2 2 315.461 3.190 20 0 DGADLP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccc2ccccc2c1 ZINC000925569201 627756414 /nfs/dbraw/zinc/75/64/14/627756414.db2.gz ZLSVQYMLOVKZRU-RTBURBONSA-N 2 2 310.441 3.138 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925579212 627758152 /nfs/dbraw/zinc/75/81/52/627758152.db2.gz DCHIYYCRDCWTHO-PWSUYJOCSA-N 2 2 309.866 3.222 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000925590575 627759943 /nfs/dbraw/zinc/75/99/43/627759943.db2.gz JIMGUJNGUGPKQJ-SJORKVTESA-N 2 2 324.472 3.223 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000925598903 627760931 /nfs/dbraw/zinc/76/09/31/627760931.db2.gz NGORGZXUSFHUNH-ACJLOTCBSA-N 2 2 315.486 3.243 20 0 DGADLP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925616543 627763503 /nfs/dbraw/zinc/76/35/03/627763503.db2.gz MTZWTCMEJOQMKP-RBUKOAKNSA-N 2 2 316.493 3.256 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1ccccc1 ZINC000925702438 627778936 /nfs/dbraw/zinc/77/89/36/627778936.db2.gz CWWRKXAPZZRMNE-JOQOYGCGSA-N 2 2 314.454 3.218 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCC(C)(C)[NH3+])nnn1-c1cccc(Cl)c1 ZINC000925739866 627785203 /nfs/dbraw/zinc/78/52/03/627785203.db2.gz ANGYPHRSSLCVOW-NSHDSACASA-N 2 2 321.856 3.007 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925752418 627787554 /nfs/dbraw/zinc/78/75/54/627787554.db2.gz UZWRKAYLJICWRM-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000925752418 627787558 /nfs/dbraw/zinc/78/75/58/627787558.db2.gz UZWRKAYLJICWRM-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP C[C@H](C1CCC(F)(F)CC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750798 627787675 /nfs/dbraw/zinc/78/76/75/627787675.db2.gz HPCGOZYOYLXNRC-SNVBAGLBSA-N 2 2 315.433 3.174 20 0 DGADLP C[C@H](C1CCC(F)(F)CC1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750798 627787676 /nfs/dbraw/zinc/78/76/76/627787676.db2.gz HPCGOZYOYLXNRC-SNVBAGLBSA-N 2 2 315.433 3.174 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CCCC2 ZINC000925770884 627792409 /nfs/dbraw/zinc/79/24/09/627792409.db2.gz XHKSENMUAWYGDA-XOKHGSTOSA-N 2 2 318.461 3.201 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)F ZINC000925777211 627793639 /nfs/dbraw/zinc/79/36/39/627793639.db2.gz CGRVVNVIGJOBHU-MNOVXSKESA-N 2 2 320.330 3.183 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2n1 ZINC000925780352 627794251 /nfs/dbraw/zinc/79/42/51/627794251.db2.gz DXPSCBRMZZMIJA-TZMCWYRMSA-N 2 2 305.372 3.130 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794506 627796421 /nfs/dbraw/zinc/79/64/21/627796421.db2.gz LSONXVSIRHKURR-GJYPPUQNSA-N 2 2 314.473 3.373 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)s1 ZINC000925795761 627796483 /nfs/dbraw/zinc/79/64/83/627796483.db2.gz PRMDIUCQAZPECG-UONOGXRCSA-N 2 2 308.491 3.120 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795002 627796701 /nfs/dbraw/zinc/79/67/01/627796701.db2.gz JDEIBGNSAQHCGQ-RYRKJORJSA-N 2 2 314.473 3.292 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793906 627796712 /nfs/dbraw/zinc/79/67/12/627796712.db2.gz JOQOHVHOQOTEJL-RBUKOAKNSA-N 2 2 316.489 3.448 20 0 DGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794123 627796796 /nfs/dbraw/zinc/79/67/96/627796796.db2.gz GUIUMDAFWLVTQZ-PKOBYXMFSA-N 2 2 314.473 3.202 20 0 DGADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000925838875 627803211 /nfs/dbraw/zinc/80/32/11/627803211.db2.gz DLMPRVYSVBAMLI-XFQXTVEOSA-N 2 2 324.472 3.270 20 0 DGADLP C[NH+](C)CC1(C[NH2+][C@H]2CCc3c2nccc3Cl)CCCC1 ZINC000926168232 627853943 /nfs/dbraw/zinc/85/39/43/627853943.db2.gz RWWGNSJJLOYDCB-HNNXBMFYSA-N 2 2 307.869 3.434 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926228327 627866307 /nfs/dbraw/zinc/86/63/07/627866307.db2.gz GQGFLMBRTZPYJE-UYAOXDASSA-N 2 2 318.424 3.281 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccn2)c1 ZINC000926229656 627866588 /nfs/dbraw/zinc/86/65/88/627866588.db2.gz PBFGUYORSPUAAV-PXNSSMCTSA-N 2 2 318.424 3.281 20 0 DGADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(OC)n1 ZINC000926336486 627881384 /nfs/dbraw/zinc/88/13/84/627881384.db2.gz GCRSYWAXJMGXQR-UYSNPLJNSA-N 2 2 303.450 3.148 20 0 DGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnn1CC1CCC1 ZINC000926340367 627882137 /nfs/dbraw/zinc/88/21/37/627882137.db2.gz ZNWYHIMFUGSZOP-FAEJEUNOSA-N 2 2 316.493 3.351 20 0 DGADLP CCc1nnc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926460604 627899650 /nfs/dbraw/zinc/89/96/50/627899650.db2.gz BPZZNGVHLPLABC-LBPRGKRZSA-N 2 2 304.463 3.013 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676091 627931360 /nfs/dbraw/zinc/93/13/60/627931360.db2.gz SXNBCBZNOFNCPV-VDGAXYAQSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676091 627931362 /nfs/dbraw/zinc/93/13/62/627931362.db2.gz SXNBCBZNOFNCPV-VDGAXYAQSA-N 3 2 315.505 3.416 20 0 DGADLP C([NH2+][C@H](C1CC1)C1CCOCC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926744328 627945039 /nfs/dbraw/zinc/94/50/39/627945039.db2.gz ILXUSTXKAQNJBL-RTBURBONSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@H](C1CC1)C1CCOCC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926744328 627945040 /nfs/dbraw/zinc/94/50/40/627945040.db2.gz ILXUSTXKAQNJBL-RTBURBONSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746741 627945938 /nfs/dbraw/zinc/94/59/38/627945938.db2.gz SZFLKEMJRUKSIQ-BHIYHBOVSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746741 627945939 /nfs/dbraw/zinc/94/59/39/627945939.db2.gz SZFLKEMJRUKSIQ-BHIYHBOVSA-N 2 2 306.494 3.188 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)SC)[C@H]2CCC[NH2+]2)cc1 ZINC000817898035 627955056 /nfs/dbraw/zinc/95/50/56/627955056.db2.gz BQIBSQXPKCURDR-HZPDHXFCSA-N 2 2 308.491 3.220 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805010 627958349 /nfs/dbraw/zinc/95/83/49/627958349.db2.gz LVKBEQYDGLPODB-GBESFXJTSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805010 627958351 /nfs/dbraw/zinc/95/83/51/627958351.db2.gz LVKBEQYDGLPODB-GBESFXJTSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H](O)c1c(Cl)cccc1Cl ZINC000817919756 627961733 /nfs/dbraw/zinc/96/17/33/627961733.db2.gz VUUYWPAZHXTLJQ-ACGQPVHCSA-N 2 2 317.260 3.145 20 0 DGADLP C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926853311 627963592 /nfs/dbraw/zinc/96/35/92/627963592.db2.gz UUDZAIDLHNONQR-HNNXBMFYSA-N 2 2 310.445 3.268 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817949682 627971684 /nfs/dbraw/zinc/97/16/84/627971684.db2.gz MIKGDCGRYJJTAT-GXSJLCMTSA-N 2 2 302.249 3.368 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817949684 627972308 /nfs/dbraw/zinc/97/23/08/627972308.db2.gz MIKGDCGRYJJTAT-MWLCHTKSSA-N 2 2 302.249 3.368 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000817962703 627976674 /nfs/dbraw/zinc/97/66/74/627976674.db2.gz NLCJTQYBXRWYHS-PWSUYJOCSA-N 2 2 300.244 3.012 20 0 DGADLP c1cn(C2CC[NH+](C3CC(OCc4ccccc4)C3)CC2)c[nH+]1 ZINC000821386488 628362778 /nfs/dbraw/zinc/36/27/78/628362778.db2.gz MBPDRKBIESZUBA-UHFFFAOYSA-N 2 2 311.429 3.268 20 0 DGADLP C[C@H]1CC[NH2+][C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000822728124 628485328 /nfs/dbraw/zinc/48/53/28/628485328.db2.gz HQXKTHMJVANTSH-BBRMVZONSA-N 2 2 323.400 3.042 20 0 DGADLP Fc1cnccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000823747522 628592723 /nfs/dbraw/zinc/59/27/23/628592723.db2.gz DIKWXOKWJMYGLA-UHFFFAOYSA-N 2 2 305.441 3.355 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccnc(Cl)c1F)C(C)(C)C ZINC000823860241 628603391 /nfs/dbraw/zinc/60/33/91/628603391.db2.gz AYWCAGXWMPLFAE-GFCCVEGCSA-N 2 2 301.837 3.330 20 0 DGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000827599562 628975447 /nfs/dbraw/zinc/97/54/47/628975447.db2.gz IBSVFWZUWNYSNP-JKSUJKDBSA-N 2 2 312.417 3.020 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2sccc21 ZINC000834571949 629731214 /nfs/dbraw/zinc/73/12/14/629731214.db2.gz YBOHJCCYWLSTKC-NYTXWWLZSA-N 2 2 306.475 3.139 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2sccc21 ZINC000834571949 629731220 /nfs/dbraw/zinc/73/12/20/629731220.db2.gz YBOHJCCYWLSTKC-NYTXWWLZSA-N 2 2 306.475 3.139 20 0 DGADLP C/C(=C\c1ccccc1)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000102420480 630104911 /nfs/dbraw/zinc/10/49/11/630104911.db2.gz DGFAQODZGWAQGN-IOSWFWLXSA-N 2 2 302.462 3.179 20 0 DGADLP C/C(=C\c1ccccc1)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000102420480 630104912 /nfs/dbraw/zinc/10/49/12/630104912.db2.gz DGFAQODZGWAQGN-IOSWFWLXSA-N 2 2 302.462 3.179 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1C[C@H]1C ZINC000840727412 630353138 /nfs/dbraw/zinc/35/31/38/630353138.db2.gz KHFMEVVZYOPHHW-VCBZYWHSSA-N 2 2 301.478 3.356 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1Cl ZINC000843050919 630608307 /nfs/dbraw/zinc/60/83/07/630608307.db2.gz BKZLWQGZTQSIQK-GXTWGEPZSA-N 2 2 312.889 3.204 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1Cl ZINC000843050919 630608311 /nfs/dbraw/zinc/60/83/11/630608311.db2.gz BKZLWQGZTQSIQK-GXTWGEPZSA-N 2 2 312.889 3.204 20 0 DGADLP CC[NH+](CC)[C@@H](c1nc([C@@H]([NH3+])C(C)C)no1)c1ccccc1 ZINC000843155667 630622600 /nfs/dbraw/zinc/62/26/00/630622600.db2.gz WZCVVFKVKJQSBW-LSDHHAIUSA-N 2 2 302.422 3.157 20 0 DGADLP CCC[NH2+][C@H](C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000843178618 630627386 /nfs/dbraw/zinc/62/73/86/630627386.db2.gz WBMCRYXLVNHEEH-CYBMUJFWSA-N 2 2 311.389 3.042 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000843354615 630648975 /nfs/dbraw/zinc/64/89/75/630648975.db2.gz FEPQONQLOMDZCJ-CQSZACIVSA-N 2 2 305.466 3.055 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000843354615 630648976 /nfs/dbraw/zinc/64/89/76/630648976.db2.gz FEPQONQLOMDZCJ-CQSZACIVSA-N 2 2 305.466 3.055 20 0 DGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000843355547 630649619 /nfs/dbraw/zinc/64/96/19/630649619.db2.gz GMRLPBGGCVWJIC-FQEVSTJZSA-N 2 2 323.440 3.009 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC000843360771 630649940 /nfs/dbraw/zinc/64/99/40/630649940.db2.gz IUVBBRXRRDBRKH-MQVJKMGUSA-N 2 2 315.392 3.325 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncc(-c2ccc(F)cc2)o1 ZINC000843360771 630649943 /nfs/dbraw/zinc/64/99/43/630649943.db2.gz IUVBBRXRRDBRKH-MQVJKMGUSA-N 2 2 315.392 3.325 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccc(F)cc1Cl ZINC000843360359 630650087 /nfs/dbraw/zinc/65/00/87/630650087.db2.gz RLFPSXVVJHKYLJ-AGUYFDCRSA-N 2 2 312.816 3.202 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccc(F)cc1Cl ZINC000843360359 630650090 /nfs/dbraw/zinc/65/00/90/630650090.db2.gz RLFPSXVVJHKYLJ-AGUYFDCRSA-N 2 2 312.816 3.202 20 0 DGADLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848537831 631682703 /nfs/dbraw/zinc/68/27/03/631682703.db2.gz OOUAURMJTAZOSY-SFHVURJKSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[NH+](C)C ZINC000848542541 631686319 /nfs/dbraw/zinc/68/63/19/631686319.db2.gz KRLVFXDKBWVKQE-GOSISDBHSA-N 2 2 317.477 3.116 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cnc(Cl)n1C)C1CCCCC1 ZINC000848557027 631691919 /nfs/dbraw/zinc/69/19/19/631691919.db2.gz GFRZCDGWWYOJAT-UHFFFAOYSA-N 2 2 312.889 3.208 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cnc(Cl)n1C)C1CCCCC1 ZINC000848557027 631691921 /nfs/dbraw/zinc/69/19/21/631691921.db2.gz GFRZCDGWWYOJAT-UHFFFAOYSA-N 2 2 312.889 3.208 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000848568731 631697095 /nfs/dbraw/zinc/69/70/95/631697095.db2.gz PIJBCSSXXQJVLG-QGTPRVQTSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000848568731 631697097 /nfs/dbraw/zinc/69/70/97/631697097.db2.gz PIJBCSSXXQJVLG-QGTPRVQTSA-N 2 2 300.446 3.289 20 0 DGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])Nc1ccccc1)c1ccco1 ZINC000849023444 631810089 /nfs/dbraw/zinc/81/00/89/631810089.db2.gz UXYFCRNCWQLTHY-UKRRQHHQSA-N 2 2 300.406 3.345 20 0 DGADLP Cc1cccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000849063596 631824298 /nfs/dbraw/zinc/82/42/98/631824298.db2.gz NAFBYOYITFQKFK-UHFFFAOYSA-N 2 2 305.385 3.317 20 0 DGADLP CN(C(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000849079644 631828850 /nfs/dbraw/zinc/82/88/50/631828850.db2.gz BTUVUGJLEBUICN-INIZCTEOSA-N 2 2 320.868 3.095 20 0 DGADLP Cc1[nH]c(CNC2CC[NH+](CC3CCCCC3)CC2)[nH+]c1C ZINC000850095436 632055094 /nfs/dbraw/zinc/05/50/94/632055094.db2.gz AXYXPWUEFLLHCN-UHFFFAOYSA-N 2 2 304.482 3.161 20 0 DGADLP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000850371885 632129236 /nfs/dbraw/zinc/12/92/36/632129236.db2.gz NAXVWOMGURLZQH-LEWJYISDSA-N 2 2 322.452 3.419 20 0 DGADLP C[N@@H+](Cc1cccc(F)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793646 632496316 /nfs/dbraw/zinc/49/63/16/632496316.db2.gz ZOWDWZAVWRIGAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1cccc(F)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793646 632496319 /nfs/dbraw/zinc/49/63/19/632496319.db2.gz ZOWDWZAVWRIGAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cccc(F)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000851793646 632496323 /nfs/dbraw/zinc/49/63/23/632496323.db2.gz ZOWDWZAVWRIGAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cccc(F)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000851793646 632496324 /nfs/dbraw/zinc/49/63/24/632496324.db2.gz ZOWDWZAVWRIGAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP Fc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000852036984 632543356 /nfs/dbraw/zinc/54/33/56/632543356.db2.gz FOUQAIMCSBYCHB-UHFFFAOYSA-N 2 2 322.387 3.091 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@H](C)[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001036429361 660904673 /nfs/dbraw/zinc/90/46/73/660904673.db2.gz ZRUNFIVCFCKVMS-RDJZCZTQSA-N 2 2 317.477 3.246 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H](OC)C3)cc2)CC1 ZINC000792841802 660988159 /nfs/dbraw/zinc/98/81/59/660988159.db2.gz PCWOFXIGKOXVMH-IEBWSBKVSA-N 2 2 317.477 3.198 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000795172127 661131025 /nfs/dbraw/zinc/13/10/25/661131025.db2.gz IAPGYNPIJBWVFS-CYBMUJFWSA-N 2 2 308.385 3.058 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001020414617 655532284 /nfs/dbraw/zinc/53/22/84/655532284.db2.gz FBXMPVREKWANJS-IYARVYRRSA-N 2 2 323.440 3.057 20 0 DGADLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CCCC1)c1ccsc1 ZINC000066243000 655543812 /nfs/dbraw/zinc/54/38/12/655543812.db2.gz BBMJGBLSXAFGHA-HNNXBMFYSA-N 2 2 308.495 3.188 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000090721108 655678946 /nfs/dbraw/zinc/67/89/46/655678946.db2.gz BTGZAEZQJUVIQH-MNOVXSKESA-N 2 2 304.406 3.308 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000090721108 655678947 /nfs/dbraw/zinc/67/89/47/655678947.db2.gz BTGZAEZQJUVIQH-MNOVXSKESA-N 2 2 304.406 3.308 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000044533179 655773026 /nfs/dbraw/zinc/77/30/26/655773026.db2.gz ICVNHUKISBNZNS-LLVKDONJSA-N 2 2 304.406 3.167 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000044533179 655773028 /nfs/dbraw/zinc/77/30/28/655773028.db2.gz ICVNHUKISBNZNS-LLVKDONJSA-N 2 2 304.406 3.167 20 0 DGADLP COc1cc(F)cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000312285688 656124020 /nfs/dbraw/zinc/12/40/20/656124020.db2.gz QKWKIUOKJLXVBD-MRXNPFEDSA-N 2 2 305.397 3.235 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000981236303 656655339 /nfs/dbraw/zinc/65/53/39/656655339.db2.gz UXGCFQIFSOAALA-CVEARBPZSA-N 2 2 303.450 3.046 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC000981234047 656655419 /nfs/dbraw/zinc/65/54/19/656655419.db2.gz BISHEDGHMSXHEZ-IRXDYDNUSA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC([C@H](C)[NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC001029122655 657313461 /nfs/dbraw/zinc/31/34/61/657313461.db2.gz IIQHVFFVLDQRMH-HNNXBMFYSA-N 2 2 317.477 3.246 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000320766686 657840024 /nfs/dbraw/zinc/84/00/24/657840024.db2.gz KJBLHVXTCJMNBQ-FFZOFVMBSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000320766686 657840031 /nfs/dbraw/zinc/84/00/31/657840031.db2.gz KJBLHVXTCJMNBQ-FFZOFVMBSA-N 2 2 316.489 3.399 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228290 658102038 /nfs/dbraw/zinc/10/20/38/658102038.db2.gz RLYQLXCZARWYPM-SNRMKQJTSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C(C)(C)C)cc1 ZINC000321228290 658102041 /nfs/dbraw/zinc/10/20/41/658102041.db2.gz RLYQLXCZARWYPM-SNRMKQJTSA-N 2 2 316.489 3.498 20 0 DGADLP CCC[NH2+]C1CCC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000963707447 658235753 /nfs/dbraw/zinc/23/57/53/658235753.db2.gz XGRYKTAUKPNYLS-UHFFFAOYSA-N 2 2 317.477 3.390 20 0 DGADLP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]C(C)C ZINC001037893969 658504205 /nfs/dbraw/zinc/50/42/05/658504205.db2.gz RXRLAJQHYPPORL-IRXDYDNUSA-N 2 2 317.477 3.246 20 0 DGADLP Fc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000929803133 661340094 /nfs/dbraw/zinc/34/00/94/661340094.db2.gz CBPRVMFNXDAEKH-UHFFFAOYSA-N 2 2 323.799 3.461 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000929803121 661340259 /nfs/dbraw/zinc/34/02/59/661340259.db2.gz BXMVBRRRMOMIQU-QWHCGFSZSA-N 2 2 317.355 3.089 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C3CC(OCc4ccccc4)C3)C2)[nH]1 ZINC000929992234 661355988 /nfs/dbraw/zinc/35/59/88/661355988.db2.gz OLNJHLNTYYEEGQ-AOCRQIFASA-N 2 2 311.429 3.337 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C3CC(OCc4ccccc4)C3)C2)[nH]1 ZINC000929992234 661355991 /nfs/dbraw/zinc/35/59/91/661355991.db2.gz OLNJHLNTYYEEGQ-AOCRQIFASA-N 2 2 311.429 3.337 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCC3(CCCCCC3)O1)CC2 ZINC000931517075 661484374 /nfs/dbraw/zinc/48/43/74/661484374.db2.gz RHNRQXMKAZGTEM-HNNXBMFYSA-N 2 2 315.461 3.294 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCC3(CCCCCC3)O1)CC2 ZINC000931517077 661484777 /nfs/dbraw/zinc/48/47/77/661484777.db2.gz RHNRQXMKAZGTEM-OAHLLOKOSA-N 2 2 315.461 3.294 20 0 DGADLP C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000088735422 662233908 /nfs/dbraw/zinc/23/39/08/662233908.db2.gz ZPUFVBULTWACHO-KXBFYZLASA-N 2 2 301.478 3.500 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426771 662283529 /nfs/dbraw/zinc/28/35/29/662283529.db2.gz IYIJKQKTEPGYFS-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426771 662283531 /nfs/dbraw/zinc/28/35/31/662283531.db2.gz IYIJKQKTEPGYFS-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP CC(C)n1c[nH+]cc1CNc1ccc(OCC[NH+](C)C)cc1 ZINC000387477795 685183725 /nfs/dbraw/zinc/18/37/25/685183725.db2.gz GTBKFLPYXIXWRZ-UHFFFAOYSA-N 2 2 302.422 3.017 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138683 685199970 /nfs/dbraw/zinc/19/99/70/685199970.db2.gz FWRAPNVZHPHUPK-YSSFQJQWSA-N 2 2 314.473 3.079 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138683 685199973 /nfs/dbraw/zinc/19/99/73/685199973.db2.gz FWRAPNVZHPHUPK-YSSFQJQWSA-N 2 2 314.473 3.079 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]C(C)C)C23CCC3)c(C)[nH+]1 ZINC001078684838 687703237 /nfs/dbraw/zinc/70/32/37/687703237.db2.gz BYMTYLIBAVJELO-CVEARBPZSA-N 2 2 315.461 3.046 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608745 1191853684 /nfs/dbraw/zinc/85/36/84/1191853684.db2.gz WXICYXPJUAUXPG-XJKSGUPXSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608745 1191853691 /nfs/dbraw/zinc/85/36/91/1191853691.db2.gz WXICYXPJUAUXPG-XJKSGUPXSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccc(F)c(Cl)c2)[C@H]1C ZINC001576650170 1191858852 /nfs/dbraw/zinc/85/88/52/1191858852.db2.gz JYVFWDULWIVTIZ-AGIUHOORSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccc(F)c(Cl)c2)[C@H]1C ZINC001576650170 1191858862 /nfs/dbraw/zinc/85/88/62/1191858862.db2.gz JYVFWDULWIVTIZ-AGIUHOORSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747736 1191867075 /nfs/dbraw/zinc/86/70/75/1191867075.db2.gz CZZYNZHRUDXJLR-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001576983498 1191878321 /nfs/dbraw/zinc/87/83/21/1191878321.db2.gz QSIXOSRYDRGRCY-BLLLJJGKSA-N 2 2 314.433 3.003 20 0 DGADLP CC[C@@H]1CCC[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001577246544 1191889808 /nfs/dbraw/zinc/88/98/08/1191889808.db2.gz GBZOBJBKUDURBR-HZPDHXFCSA-N 2 2 302.466 3.120 20 0 DGADLP CCOCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC001578122018 1191926957 /nfs/dbraw/zinc/92/69/57/1191926957.db2.gz IYDSSFRIAARYTL-MOPGFXCFSA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC001578122018 1191926959 /nfs/dbraw/zinc/92/69/59/1191926959.db2.gz IYDSSFRIAARYTL-MOPGFXCFSA-N 2 2 318.461 3.166 20 0 DGADLP C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)CC(C)(C)[NH3+] ZINC001578486754 1191946105 /nfs/dbraw/zinc/94/61/05/1191946105.db2.gz ZJKFFPHIDXBPQY-UHFFFAOYSA-N 2 2 314.458 3.232 20 0 DGADLP C[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)CC(C)(C)[NH3+] ZINC001578486754 1191946106 /nfs/dbraw/zinc/94/61/06/1191946106.db2.gz ZJKFFPHIDXBPQY-UHFFFAOYSA-N 2 2 314.458 3.232 20 0 DGADLP COCC[C@H]([NH3+])C[NH2+]C(c1cccc(C)c1)c1cccc(C)c1 ZINC001579002957 1191964250 /nfs/dbraw/zinc/96/42/50/1191964250.db2.gz WAFJHMPOABACJC-IBGZPJMESA-N 2 2 312.457 3.346 20 0 DGADLP C[C@]1(C[N@@H+]2CCc3sc(C[NH3+])nc3C2)C[C@@H]1c1ccccc1 ZINC001579509391 1191977766 /nfs/dbraw/zinc/97/77/66/1191977766.db2.gz KLUMLJUQVPZSAL-RDTXWAMCSA-N 2 2 313.470 3.154 20 0 DGADLP C[C@]1(C[N@H+]2CCc3sc(C[NH3+])nc3C2)C[C@@H]1c1ccccc1 ZINC001579509391 1191977768 /nfs/dbraw/zinc/97/77/68/1191977768.db2.gz KLUMLJUQVPZSAL-RDTXWAMCSA-N 2 2 313.470 3.154 20 0 DGADLP Cc1[nH]nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514386 1191978461 /nfs/dbraw/zinc/97/84/61/1191978461.db2.gz OCTLBCDAAPEXGW-WBVHZDCISA-N 2 2 304.482 3.146 20 0 DGADLP Cc1[nH]nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514386 1191978462 /nfs/dbraw/zinc/97/84/62/1191978462.db2.gz OCTLBCDAAPEXGW-WBVHZDCISA-N 2 2 304.482 3.146 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001579548517 1191979712 /nfs/dbraw/zinc/97/97/12/1191979712.db2.gz WJQSWUKZRUQQBW-FXAWDEMLSA-N 3 2 324.472 3.145 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001579548517 1191979713 /nfs/dbraw/zinc/97/97/13/1191979713.db2.gz WJQSWUKZRUQQBW-FXAWDEMLSA-N 3 2 324.472 3.145 20 0 DGADLP FC(F)(F)c1cccc([C@]2(F)CC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001580022016 1192003024 /nfs/dbraw/zinc/00/30/24/1192003024.db2.gz YNTBLIOOJNBXAK-WFASDCNBSA-N 2 2 316.342 3.185 20 0 DGADLP FC(F)(F)c1cccc([C@]2(F)CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC001580022016 1192003027 /nfs/dbraw/zinc/00/30/27/1192003027.db2.gz YNTBLIOOJNBXAK-WFASDCNBSA-N 2 2 316.342 3.185 20 0 DGADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254684 1192015966 /nfs/dbraw/zinc/01/59/66/1192015966.db2.gz YZKVIAHOKBRXBE-BMIGLBTASA-N 2 2 307.850 3.263 20 0 DGADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254684 1192015968 /nfs/dbraw/zinc/01/59/68/1192015968.db2.gz YZKVIAHOKBRXBE-BMIGLBTASA-N 2 2 307.850 3.263 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCC2 ZINC001620803125 1192084137 /nfs/dbraw/zinc/08/41/37/1192084137.db2.gz JWZAILUPYNONAY-CVEARBPZSA-N 2 2 317.458 3.371 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)C[NH+](C)C ZINC001662540205 1196728410 /nfs/dbraw/zinc/72/84/10/1196728410.db2.gz KXEUZQFTRRANBV-JTQLQIEISA-N 2 2 308.319 3.012 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001620896739 1192562518 /nfs/dbraw/zinc/56/25/18/1192562518.db2.gz ZGBCAWQAKWFAED-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP COc1nccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1F ZINC001620908199 1192578697 /nfs/dbraw/zinc/57/86/97/1192578697.db2.gz UBPLYUWKZFNMJZ-UHFFFAOYSA-N 2 2 323.456 3.364 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cn1 ZINC000109069063 1176021009 /nfs/dbraw/zinc/02/10/09/1176021009.db2.gz LZVWTXFZPLNDEH-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000378873704 1176747152 /nfs/dbraw/zinc/74/71/52/1176747152.db2.gz UZRSTLFDYRCHCW-KRWDZBQOSA-N 2 2 317.433 3.105 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC000378928435 1176749938 /nfs/dbraw/zinc/74/99/38/1176749938.db2.gz VVAJYGUKMJINIK-LEWJYISDSA-N 2 2 322.452 3.306 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2)cc1 ZINC000378928435 1176749944 /nfs/dbraw/zinc/74/99/44/1176749944.db2.gz VVAJYGUKMJINIK-LEWJYISDSA-N 2 2 322.452 3.306 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC000228077755 1176797467 /nfs/dbraw/zinc/79/74/67/1176797467.db2.gz DRIPMUFJKZYJRH-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC000228077755 1176797478 /nfs/dbraw/zinc/79/74/78/1176797478.db2.gz DRIPMUFJKZYJRH-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP COc1cc2c(cc1C[NH2+]CCC[N@H+](C)CC(C)C)O[C@@H](C)C2 ZINC001620994265 1192778422 /nfs/dbraw/zinc/77/84/22/1192778422.db2.gz HQVMWHJPSQAKKC-HNNXBMFYSA-N 2 2 320.477 3.086 20 0 DGADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+](C)CC(C)C)O[C@@H](C)C2 ZINC001620994265 1192778425 /nfs/dbraw/zinc/77/84/25/1192778425.db2.gz HQVMWHJPSQAKKC-HNNXBMFYSA-N 2 2 320.477 3.086 20 0 DGADLP Brc1cccc(C2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000211496617 1177029142 /nfs/dbraw/zinc/02/91/42/1177029142.db2.gz OPFZUZRJNYTEEC-INIZCTEOSA-N 2 2 323.278 3.381 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000091060664 1177897279 /nfs/dbraw/zinc/89/72/79/1177897279.db2.gz BBABEQYBSSGCMI-SFHVURJKSA-N 2 2 314.477 3.328 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001331518752 1178233555 /nfs/dbraw/zinc/23/35/55/1178233555.db2.gz URTWYXJDGBWPGF-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP COc1ccc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC001331985478 1178328566 /nfs/dbraw/zinc/32/85/66/1178328566.db2.gz ZCQHUBOWTVZALS-OAHLLOKOSA-N 2 2 322.412 3.169 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001332674801 1178470362 /nfs/dbraw/zinc/47/03/62/1178470362.db2.gz QQYBEEIGNUSJOJ-LPHOPBHVSA-N 2 2 317.477 3.198 20 0 DGADLP c1cc2cc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)ccc2o1 ZINC001332725464 1178483009 /nfs/dbraw/zinc/48/30/09/1178483009.db2.gz SPERCBWBJUBZLT-UHFFFAOYSA-N 2 2 314.429 3.166 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc(C)[nH+]1 ZINC001458385225 1182519823 /nfs/dbraw/zinc/51/98/23/1182519823.db2.gz HTJDZNYXGIZZER-INIZCTEOSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc(C)[nH+]1 ZINC001458385225 1182519825 /nfs/dbraw/zinc/51/98/25/1182519825.db2.gz HTJDZNYXGIZZER-INIZCTEOSA-N 2 2 324.472 3.306 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001460974655 1182748800 /nfs/dbraw/zinc/74/88/00/1182748800.db2.gz OMYGQLVPRKXIHF-MRXNPFEDSA-N 2 2 315.465 3.023 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001460974655 1182748806 /nfs/dbraw/zinc/74/88/06/1182748806.db2.gz OMYGQLVPRKXIHF-MRXNPFEDSA-N 2 2 315.465 3.023 20 0 DGADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974829 1182749127 /nfs/dbraw/zinc/74/91/27/1182749127.db2.gz PFXCYWDKYQIYBG-BZUAXINKSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974829 1182749134 /nfs/dbraw/zinc/74/91/34/1182749134.db2.gz PFXCYWDKYQIYBG-BZUAXINKSA-N 2 2 305.466 3.385 20 0 DGADLP CCC(CC)[C@@H](CNCc1cccc2[nH+]ccn21)[NH+]1CCCC1 ZINC001461031582 1182758306 /nfs/dbraw/zinc/75/83/06/1182758306.db2.gz NSGFPZXBTZZRMH-GOSISDBHSA-N 2 2 314.477 3.325 20 0 DGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001461426349 1182812678 /nfs/dbraw/zinc/81/26/78/1182812678.db2.gz OQICHDVWBQQALN-HZPDHXFCSA-N 2 2 312.461 3.077 20 0 DGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001461426349 1182812688 /nfs/dbraw/zinc/81/26/88/1182812688.db2.gz OQICHDVWBQQALN-HZPDHXFCSA-N 2 2 312.461 3.077 20 0 DGADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001461613387 1182834845 /nfs/dbraw/zinc/83/48/45/1182834845.db2.gz QCYNXKIIUUBOSE-CYBMUJFWSA-N 2 2 319.276 3.176 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001461811495 1182859043 /nfs/dbraw/zinc/85/90/43/1182859043.db2.gz NUKPRNOAODVBRF-ROUUACIJSA-N 2 2 308.510 3.293 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001461811495 1182859052 /nfs/dbraw/zinc/85/90/52/1182859052.db2.gz NUKPRNOAODVBRF-ROUUACIJSA-N 2 2 308.510 3.293 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCn3c(cc4ccc(Cl)cc43)C2)CC1 ZINC001462172472 1182917437 /nfs/dbraw/zinc/91/74/37/1182917437.db2.gz YCKFQVHZZMCXES-UHFFFAOYSA-N 2 2 317.864 3.452 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCn3c(cc4ccc(Cl)cc43)C2)CC1 ZINC001462172472 1182917443 /nfs/dbraw/zinc/91/74/43/1182917443.db2.gz YCKFQVHZZMCXES-UHFFFAOYSA-N 2 2 317.864 3.452 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccncc1F)c1ccccc1 ZINC001462451578 1182954716 /nfs/dbraw/zinc/95/47/16/1182954716.db2.gz CYXQQOZMKPKVBS-QGZVFWFLSA-N 2 2 310.376 3.028 20 0 DGADLP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001464576887 1183101195 /nfs/dbraw/zinc/10/11/95/1183101195.db2.gz XWBVJJLXKDCCDE-GFCCVEGCSA-N 2 2 320.824 3.052 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)ccc1-n1cc[nH+]c1 ZINC001464831308 1183115008 /nfs/dbraw/zinc/11/50/08/1183115008.db2.gz RFDYKAMTOUCSGX-GOSISDBHSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)ccc1-n1cc[nH+]c1 ZINC001464831308 1183115013 /nfs/dbraw/zinc/11/50/13/1183115013.db2.gz RFDYKAMTOUCSGX-GOSISDBHSA-N 2 2 324.428 3.136 20 0 DGADLP OC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCCCCC1 ZINC001473351537 1183747459 /nfs/dbraw/zinc/74/74/59/1183747459.db2.gz OIZJVOOHBBOEJF-UHFFFAOYSA-N 2 2 303.450 3.043 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC001473473878 1183760965 /nfs/dbraw/zinc/76/09/65/1183760965.db2.gz YRDCRYWQARXIIN-GOSISDBHSA-N 2 2 315.505 3.367 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCOCC34CCCC4)cc2)c[nH+]1 ZINC001473893421 1183820864 /nfs/dbraw/zinc/82/08/64/1183820864.db2.gz PGANOSODTRSTKE-SFHVURJKSA-N 2 2 311.429 3.311 20 0 DGADLP CCOc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001473927025 1183830351 /nfs/dbraw/zinc/83/03/51/1183830351.db2.gz UECLQJWIGMJLTI-UHFFFAOYSA-N 2 2 311.385 3.213 20 0 DGADLP CCOc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1OC ZINC001474034747 1183855383 /nfs/dbraw/zinc/85/53/83/1183855383.db2.gz GFTAKUUHGVUJNV-UHFFFAOYSA-N 2 2 315.417 3.081 20 0 DGADLP Cc1[nH+]cc(CNc2cc(N(C)C)cc[nH+]2)n1-c1ccccc1 ZINC001474085154 1183865158 /nfs/dbraw/zinc/86/51/58/1183865158.db2.gz JNQXJXBRVMKBPA-UHFFFAOYSA-N 2 2 307.401 3.254 20 0 DGADLP OCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCCCC1 ZINC001474240711 1183888329 /nfs/dbraw/zinc/88/83/29/1183888329.db2.gz NTIQGHZYOVCZGI-UHFFFAOYSA-N 2 2 319.474 3.499 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001474754819 1183973539 /nfs/dbraw/zinc/97/35/39/1183973539.db2.gz IXPPYSSSCFRTGB-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001474754819 1183973541 /nfs/dbraw/zinc/97/35/41/1183973541.db2.gz IXPPYSSSCFRTGB-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CCC(C)C)C2CC2)c(C)[nH+]1 ZINC001480034256 1184414426 /nfs/dbraw/zinc/41/44/26/1184414426.db2.gz MIEZGPTVKRJTFO-QGZVFWFLSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H]([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001502732413 1186005440 /nfs/dbraw/zinc/00/54/40/1186005440.db2.gz ZTGDQQOFDMRLSR-WMLDXEAASA-N 2 2 317.477 3.103 20 0 DGADLP Cc1nc([C@@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)sc1C ZINC001548900685 1186062795 /nfs/dbraw/zinc/06/27/95/1186062795.db2.gz XAUKCJMCKLDNFK-HNNXBMFYSA-N 2 2 304.463 3.263 20 0 DGADLP Cc1nc([C@@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)sc1C ZINC001548900685 1186062799 /nfs/dbraw/zinc/06/27/99/1186062799.db2.gz XAUKCJMCKLDNFK-HNNXBMFYSA-N 2 2 304.463 3.263 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001505966878 1186170972 /nfs/dbraw/zinc/17/09/72/1186170972.db2.gz CPSVQNVHVTYKLB-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001505966878 1186170975 /nfs/dbraw/zinc/17/09/75/1186170975.db2.gz CPSVQNVHVTYKLB-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCSC1 ZINC001655745541 1195959367 /nfs/dbraw/zinc/95/93/67/1195959367.db2.gz GHCRWOUWWOSJMS-CWDCEQMOSA-N 2 2 312.429 3.005 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3[NH2+]CC34CCCC4)cc2)[nH+]c1C ZINC001522462601 1187083522 /nfs/dbraw/zinc/08/35/22/1187083522.db2.gz WMTYNQUWHDDIEO-INIZCTEOSA-N 2 2 324.428 3.164 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001549006609 1188486381 /nfs/dbraw/zinc/48/63/81/1188486381.db2.gz GARYMGHGMOIGQL-RYUDHWBXSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001549006609 1188486384 /nfs/dbraw/zinc/48/63/84/1188486384.db2.gz GARYMGHGMOIGQL-RYUDHWBXSA-N 2 2 302.249 3.183 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCO1 ZINC001549036114 1188488519 /nfs/dbraw/zinc/48/85/19/1188488519.db2.gz GCEZKCQJIACIRY-FDPIWHGQSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCO1 ZINC001549036114 1188488521 /nfs/dbraw/zinc/48/85/21/1188488521.db2.gz GCEZKCQJIACIRY-FDPIWHGQSA-N 2 2 320.452 3.003 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2O[C@@H](c3ccccc3)C[C@@H]21 ZINC001549084184 1188492701 /nfs/dbraw/zinc/49/27/01/1188492701.db2.gz VXRBNPUKOIVBDE-GBESFXJTSA-N 2 2 311.429 3.186 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2O[C@@H](c3ccccc3)C[C@@H]21 ZINC001549084184 1188492702 /nfs/dbraw/zinc/49/27/02/1188492702.db2.gz VXRBNPUKOIVBDE-GBESFXJTSA-N 2 2 311.429 3.186 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CCC[C@H]3[NH3+])cc2)[nH+]c1C ZINC001550219002 1188595028 /nfs/dbraw/zinc/59/50/28/1188595028.db2.gz RIMXTAVFOVEYJC-GDBMZVCRSA-N 2 2 312.417 3.150 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541571 1188621948 /nfs/dbraw/zinc/62/19/48/1188621948.db2.gz ZQDOMJVBEPWJJD-LSDHHAIUSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541571 1188621950 /nfs/dbraw/zinc/62/19/50/1188621950.db2.gz ZQDOMJVBEPWJJD-LSDHHAIUSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541571 1188621952 /nfs/dbraw/zinc/62/19/52/1188621952.db2.gz ZQDOMJVBEPWJJD-LSDHHAIUSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@H]2C1 ZINC001550541571 1188621953 /nfs/dbraw/zinc/62/19/53/1188621953.db2.gz ZQDOMJVBEPWJJD-LSDHHAIUSA-N 2 2 305.491 3.184 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC001551401120 1188737774 /nfs/dbraw/zinc/73/77/74/1188737774.db2.gz GTLOZTVCWPHHJF-CVEARBPZSA-N 2 2 304.340 3.002 20 0 DGADLP COc1ccc(C[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])cc1Cl ZINC001551404302 1188737939 /nfs/dbraw/zinc/73/79/39/1188737939.db2.gz WLXIJXQPWVNTGJ-DOTOQJQBSA-N 2 2 302.805 3.063 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001551401550 1188738282 /nfs/dbraw/zinc/73/82/82/1188738282.db2.gz INNNUFBSZLRARP-HOTGVXAUSA-N 2 2 304.340 3.002 20 0 DGADLP Cc1[nH]c(-c2ccccc2NC(=O)C[NH2+]C(C)(C)C)[nH+]c1C ZINC001551745674 1188767698 /nfs/dbraw/zinc/76/76/98/1188767698.db2.gz KQHAAYDRKJMIFW-UHFFFAOYSA-N 2 2 300.406 3.020 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001553024047 1188890553 /nfs/dbraw/zinc/89/05/53/1188890553.db2.gz AUNHJEWYHYYOPE-SDNTUTLCSA-N 2 2 304.409 3.016 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC001553291646 1188913984 /nfs/dbraw/zinc/91/39/84/1188913984.db2.gz QOURMZZMLVJJNQ-KURKYZTESA-N 2 2 300.446 3.089 20 0 DGADLP CCc1cc(NC[C@@H](c2cccs2)[NH+](C)C)nc(CC)[nH+]1 ZINC001559049213 1189165415 /nfs/dbraw/zinc/16/54/15/1189165415.db2.gz UABUHMASYQQKHU-ZDUSSCGKSA-N 2 2 304.463 3.378 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069641 1189274555 /nfs/dbraw/zinc/27/45/55/1189274555.db2.gz XOZYRVOQGNBEDV-IBGZPJMESA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069641 1189274558 /nfs/dbraw/zinc/27/45/58/1189274558.db2.gz XOZYRVOQGNBEDV-IBGZPJMESA-N 3 2 318.509 3.168 20 0 DGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cnc1F ZINC001560290304 1189305996 /nfs/dbraw/zinc/30/59/96/1189305996.db2.gz UBDZWGVQHYXIKZ-UHFFFAOYSA-N 2 2 314.339 3.144 20 0 DGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001560358602 1189317106 /nfs/dbraw/zinc/31/71/06/1189317106.db2.gz QGAKXRYVIUHNOU-MJGOQNOKSA-N 2 2 313.445 3.413 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001560493199 1189333148 /nfs/dbraw/zinc/33/31/48/1189333148.db2.gz UXRVNTSYOXGSBI-NSHDSACASA-N 2 2 314.414 3.082 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001560615825 1189348527 /nfs/dbraw/zinc/34/85/27/1189348527.db2.gz BVUUWNXURBCUQS-IAGOWNOFSA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001560615825 1189348532 /nfs/dbraw/zinc/34/85/32/1189348532.db2.gz BVUUWNXURBCUQS-IAGOWNOFSA-N 2 2 324.509 3.210 20 0 DGADLP COc1ccc(SCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC001560682845 1189360111 /nfs/dbraw/zinc/36/01/11/1189360111.db2.gz KDUCAQMGNOAONA-UHFFFAOYSA-N 2 2 317.458 3.390 20 0 DGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC001560707852 1189363720 /nfs/dbraw/zinc/36/37/20/1189363720.db2.gz WAZHSKJBNNBFRI-ZDUSSCGKSA-N 2 2 316.424 3.065 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C2 ZINC001560806641 1189385675 /nfs/dbraw/zinc/38/56/75/1189385675.db2.gz XRXWBNXFLQYWCR-VQIMIIECSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C2 ZINC001560806641 1189385685 /nfs/dbraw/zinc/38/56/85/1189385685.db2.gz XRXWBNXFLQYWCR-VQIMIIECSA-N 2 2 316.489 3.263 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001567039668 1190003375 /nfs/dbraw/zinc/00/33/75/1190003375.db2.gz IWHMVPAPDADIMT-OAHLLOKOSA-N 2 2 305.466 3.151 20 0 DGADLP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001569008330 1190606995 /nfs/dbraw/zinc/60/69/95/1190606995.db2.gz MZJFIAVRFKNIHV-MVGZEHJDSA-N 2 2 303.450 3.071 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001571398435 1191013937 /nfs/dbraw/zinc/01/39/37/1191013937.db2.gz VYOTUBSWOZCXSJ-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP Brc1ccc(C2CC([NH2+][C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001574448657 1191444578 /nfs/dbraw/zinc/44/45/78/1191444578.db2.gz TUIAUROEAQEYDL-HNFVBEJKSA-N 2 2 309.251 3.037 20 0 DGADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC001575243290 1191469763 /nfs/dbraw/zinc/46/97/63/1191469763.db2.gz VUVWYUULILUEDX-CHWSQXEVSA-N 2 2 310.463 3.063 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Oc2cccc(Cl)c2)ccn1)C1C[NH2+]C1 ZINC001576243927 1191547143 /nfs/dbraw/zinc/54/71/43/1191547143.db2.gz HBLITHJUSLJSIH-LBPRGKRZSA-N 2 2 317.820 3.225 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2cccc(F)c2)[C@@H]1C ZINC001618785027 1193751570 /nfs/dbraw/zinc/75/15/70/1193751570.db2.gz BIZLFTOKGOQDFL-KBXCAEBGSA-N 2 2 317.408 3.183 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)[C@@H]1C ZINC001618785027 1193751572 /nfs/dbraw/zinc/75/15/72/1193751572.db2.gz BIZLFTOKGOQDFL-KBXCAEBGSA-N 2 2 317.408 3.183 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001620695756 1193792132 /nfs/dbraw/zinc/79/21/32/1193792132.db2.gz LLJZSCRLABZVEC-UHFFFAOYSA-N 2 2 302.466 3.439 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC001620691897 1193792578 /nfs/dbraw/zinc/79/25/78/1193792578.db2.gz GCYOODLROMOOGF-VQTJNVASSA-N 2 2 318.505 3.373 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC001620691897 1193792580 /nfs/dbraw/zinc/79/25/80/1193792580.db2.gz GCYOODLROMOOGF-VQTJNVASSA-N 2 2 318.505 3.373 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC001620717232 1193794148 /nfs/dbraw/zinc/79/41/48/1193794148.db2.gz VPPDUSKHFTXROB-NSHDSACASA-N 2 2 302.403 3.086 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc2c1OCC2 ZINC001621313905 1193829518 /nfs/dbraw/zinc/82/95/18/1193829518.db2.gz POXRVRNEYNVCEZ-UHFFFAOYSA-N 2 2 310.869 3.439 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc2c1OCC2 ZINC001621313905 1193829520 /nfs/dbraw/zinc/82/95/20/1193829520.db2.gz POXRVRNEYNVCEZ-UHFFFAOYSA-N 2 2 310.869 3.439 20 0 DGADLP CC[NH+]1CCC(C[NH2+]CC(F)(F)c2cc(F)cc(F)c2)CC1 ZINC001621497367 1193850757 /nfs/dbraw/zinc/85/07/57/1193850757.db2.gz ZWDTXRJGOAEMFI-UHFFFAOYSA-N 2 2 318.358 3.378 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001621553014 1193857610 /nfs/dbraw/zinc/85/76/10/1193857610.db2.gz ZRINEJWTLMIZDJ-HZPDHXFCSA-N 2 2 312.498 3.208 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001621553014 1193857614 /nfs/dbraw/zinc/85/76/14/1193857614.db2.gz ZRINEJWTLMIZDJ-HZPDHXFCSA-N 2 2 312.498 3.208 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC([NH2+]C3CCC3)CC2)c(C)[nH+]1 ZINC001625368743 1194046823 /nfs/dbraw/zinc/04/68/23/1194046823.db2.gz REHFNCCSJHVNEL-UHFFFAOYSA-N 2 2 316.449 3.145 20 0 DGADLP OCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccs1 ZINC001647023963 1195240266 /nfs/dbraw/zinc/24/02/66/1195240266.db2.gz NDSCQZKBYTVPTB-CQSZACIVSA-N 2 2 319.455 3.209 20 0 DGADLP CC(C)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC000062730405 1195264853 /nfs/dbraw/zinc/26/48/53/1195264853.db2.gz YGRSKMYOSMQWPL-UHFFFAOYSA-N 2 2 307.825 3.361 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001648648291 1195317717 /nfs/dbraw/zinc/31/77/17/1195317717.db2.gz ZSSNNPNQFGDYAH-HOTGVXAUSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001648648291 1195317722 /nfs/dbraw/zinc/31/77/22/1195317722.db2.gz ZSSNNPNQFGDYAH-HOTGVXAUSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC001648646769 1195318419 /nfs/dbraw/zinc/31/84/19/1195318419.db2.gz CLYSFLYCCKCQNV-NUJGCVRESA-N 2 2 319.493 3.369 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC001648646769 1195318425 /nfs/dbraw/zinc/31/84/25/1195318425.db2.gz CLYSFLYCCKCQNV-NUJGCVRESA-N 2 2 319.493 3.369 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)Cc2ccsc2)nc(CC)[nH+]1 ZINC001651132839 1195418204 /nfs/dbraw/zinc/41/82/04/1195418204.db2.gz BEYXUEUZQBMGOB-UHFFFAOYSA-N 2 2 318.490 3.231 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000065890718 1195473863 /nfs/dbraw/zinc/47/38/63/1195473863.db2.gz JKTXFTXYYYAYJS-GFCCVEGCSA-N 2 2 313.323 3.003 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001651706300 1195500035 /nfs/dbraw/zinc/50/00/35/1195500035.db2.gz OQPNVUPJJDWQDB-HUUCEWRRSA-N 2 2 320.477 3.229 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001651903753 1195522352 /nfs/dbraw/zinc/52/23/52/1195522352.db2.gz YXIRBXBSAPFLEX-CQSZACIVSA-N 2 2 311.433 3.415 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001651903753 1195522355 /nfs/dbraw/zinc/52/23/55/1195522355.db2.gz YXIRBXBSAPFLEX-CQSZACIVSA-N 2 2 311.433 3.415 20 0 DGADLP CCC[C@@H](C)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001651980491 1195531481 /nfs/dbraw/zinc/53/14/81/1195531481.db2.gz XCCWBOFBKFYGMB-QGZVFWFLSA-N 2 2 320.477 3.018 20 0 DGADLP CCC[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001651980491 1195531484 /nfs/dbraw/zinc/53/14/84/1195531484.db2.gz XCCWBOFBKFYGMB-QGZVFWFLSA-N 2 2 320.477 3.018 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001652177378 1195557356 /nfs/dbraw/zinc/55/73/56/1195557356.db2.gz YKGRVQTWEUEYQM-JSGCOSHPSA-N 2 2 324.415 3.413 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001652177378 1195557361 /nfs/dbraw/zinc/55/73/61/1195557361.db2.gz YKGRVQTWEUEYQM-JSGCOSHPSA-N 2 2 324.415 3.413 20 0 DGADLP Cc1nc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c(C)c(C)[nH+]1 ZINC001652342959 1195585821 /nfs/dbraw/zinc/58/58/21/1195585821.db2.gz WHRXBTJNOTWNDJ-MRXNPFEDSA-N 2 2 316.836 3.206 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC001652868641 1195664271 /nfs/dbraw/zinc/66/42/71/1195664271.db2.gz UUDZWFCMYZOKLH-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC001652868641 1195664278 /nfs/dbraw/zinc/66/42/78/1195664278.db2.gz UUDZWFCMYZOKLH-YZGWKJHDSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653201761 1195697785 /nfs/dbraw/zinc/69/77/85/1195697785.db2.gz OWTSZANDKWXAOS-UYAOXDASSA-N 2 2 315.505 3.367 20 0 DGADLP C[C@H](C[NH+]1CCOCC1)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC001654161468 1195779758 /nfs/dbraw/zinc/77/97/58/1195779758.db2.gz CTRQNADFYMUROU-SFHVURJKSA-N 2 2 308.510 3.391 20 0 DGADLP C[C@H](C[NH+]1CCOCC1)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001654161468 1195779761 /nfs/dbraw/zinc/77/97/61/1195779761.db2.gz CTRQNADFYMUROU-SFHVURJKSA-N 2 2 308.510 3.391 20 0 DGADLP CC[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218642 1195784790 /nfs/dbraw/zinc/78/47/90/1195784790.db2.gz ODRKFLLIVMMGLE-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218642 1195784794 /nfs/dbraw/zinc/78/47/94/1195784794.db2.gz ODRKFLLIVMMGLE-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218642 1195784799 /nfs/dbraw/zinc/78/47/99/1195784799.db2.gz ODRKFLLIVMMGLE-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218642 1195784803 /nfs/dbraw/zinc/78/48/03/1195784803.db2.gz ODRKFLLIVMMGLE-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC001654762158 1195837199 /nfs/dbraw/zinc/83/71/99/1195837199.db2.gz AYRMFFNKSYTHJE-DLBZAZTESA-N 2 2 317.864 3.463 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC001654762158 1195837205 /nfs/dbraw/zinc/83/72/05/1195837205.db2.gz AYRMFFNKSYTHJE-DLBZAZTESA-N 2 2 317.864 3.463 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC001654762158 1195837207 /nfs/dbraw/zinc/83/72/07/1195837207.db2.gz AYRMFFNKSYTHJE-DLBZAZTESA-N 2 2 317.864 3.463 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC001654762158 1195837212 /nfs/dbraw/zinc/83/72/12/1195837212.db2.gz AYRMFFNKSYTHJE-DLBZAZTESA-N 2 2 317.864 3.463 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179132 1195850784 /nfs/dbraw/zinc/85/07/84/1195850784.db2.gz SCDUVFKPPPGCOT-VXGBXAGGSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179132 1195850785 /nfs/dbraw/zinc/85/07/85/1195850785.db2.gz SCDUVFKPPPGCOT-VXGBXAGGSA-N 2 2 302.340 3.144 20 0 DGADLP COc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)ccc1Cl ZINC001655123277 1195879859 /nfs/dbraw/zinc/87/98/59/1195879859.db2.gz GFGONBFQFXYPAO-UHFFFAOYSA-N 2 2 319.836 3.462 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC001655185016 1195888631 /nfs/dbraw/zinc/88/86/31/1195888631.db2.gz GDIRTUHWDYKXAF-UHFFFAOYSA-N 2 2 307.488 3.446 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C2 ZINC001655574307 1195934376 /nfs/dbraw/zinc/93/43/76/1195934376.db2.gz JXTRRWXJGHATBM-GOEBONIOSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C2 ZINC001655574307 1195934379 /nfs/dbraw/zinc/93/43/79/1195934379.db2.gz JXTRRWXJGHATBM-GOEBONIOSA-N 2 2 302.462 3.015 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001655724563 1195956286 /nfs/dbraw/zinc/95/62/86/1195956286.db2.gz BGXQFINIQMOJFF-KBPBESRZSA-N 2 2 309.885 3.368 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCSC1 ZINC001655745542 1195959207 /nfs/dbraw/zinc/95/92/07/1195959207.db2.gz GHCRWOUWWOSJMS-MJSXRHKHSA-N 2 2 312.429 3.005 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001655948349 1195981693 /nfs/dbraw/zinc/98/16/93/1195981693.db2.gz AGSWMSAIEXNZNE-QGZVFWFLSA-N 2 2 324.896 3.403 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001655948349 1195981694 /nfs/dbraw/zinc/98/16/94/1195981694.db2.gz AGSWMSAIEXNZNE-QGZVFWFLSA-N 2 2 324.896 3.403 20 0 DGADLP Brc1ccc2oc(C[NH2+]CCn3cc[nH+]c3)cc2c1 ZINC001655957451 1195982860 /nfs/dbraw/zinc/98/28/60/1195982860.db2.gz CRNFNNJUMCSVJV-UHFFFAOYSA-N 2 2 320.190 3.182 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001656061836 1195993240 /nfs/dbraw/zinc/99/32/40/1195993240.db2.gz JELPZSDIJXIAAC-CALCHBBNSA-N 2 2 315.505 3.418 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001656061836 1195993243 /nfs/dbraw/zinc/99/32/43/1195993243.db2.gz JELPZSDIJXIAAC-CALCHBBNSA-N 2 2 315.505 3.418 20 0 DGADLP c1ccc(-c2ncc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC001656081719 1195995721 /nfs/dbraw/zinc/99/57/21/1195995721.db2.gz KVDICFFQAJFWTE-UHFFFAOYSA-N 2 2 322.456 3.108 20 0 DGADLP Cc1c(Cl)cccc1N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC001656437990 1196040424 /nfs/dbraw/zinc/04/04/24/1196040424.db2.gz YLIQLAYQBOJILB-MRXNPFEDSA-N 2 2 321.896 3.255 20 0 DGADLP Cc1c(Cl)cccc1N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001656437990 1196040429 /nfs/dbraw/zinc/04/04/29/1196040429.db2.gz YLIQLAYQBOJILB-MRXNPFEDSA-N 2 2 321.896 3.255 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC001656634202 1196056707 /nfs/dbraw/zinc/05/67/07/1196056707.db2.gz VLIRDSRKSAVLBN-UHFFFAOYSA-N 2 2 316.367 3.202 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001656645698 1196057126 /nfs/dbraw/zinc/05/71/26/1196057126.db2.gz YDMXYXNYMXCAIW-GJZGRUSLSA-N 2 2 300.450 3.190 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001656645698 1196057128 /nfs/dbraw/zinc/05/71/28/1196057128.db2.gz YDMXYXNYMXCAIW-GJZGRUSLSA-N 2 2 300.450 3.190 20 0 DGADLP Fc1ccccc1OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656695712 1196063224 /nfs/dbraw/zinc/06/32/24/1196063224.db2.gz UZBFNDBXLHWMLW-UHFFFAOYSA-N 2 2 317.389 3.242 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C2 ZINC001656908311 1196082486 /nfs/dbraw/zinc/08/24/86/1196082486.db2.gz FUUUHPYRASTVPS-SJLPKXTDSA-N 2 2 316.489 3.407 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001657148396 1196111160 /nfs/dbraw/zinc/11/11/60/1196111160.db2.gz FMRLCRGLLATELD-HRCADAONSA-N 2 2 312.461 3.047 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001657148396 1196111167 /nfs/dbraw/zinc/11/11/67/1196111167.db2.gz FMRLCRGLLATELD-HRCADAONSA-N 2 2 312.461 3.047 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC001657155651 1196112441 /nfs/dbraw/zinc/11/24/41/1196112441.db2.gz MRDCPKYNNVVFBO-MRXNPFEDSA-N 2 2 312.461 3.354 20 0 DGADLP Cc1cc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc2cccnc12 ZINC001657347723 1196132874 /nfs/dbraw/zinc/13/28/74/1196132874.db2.gz YECLHDZHQBGWOU-GOSISDBHSA-N 2 2 315.486 3.070 20 0 DGADLP Cc1csc2nc(C)c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)n12 ZINC001657636222 1196163013 /nfs/dbraw/zinc/16/30/13/1196163013.db2.gz DMQFCUXJGFETTQ-UHFFFAOYSA-N 2 2 320.506 3.317 20 0 DGADLP Cc1csc2nc(C)c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)n12 ZINC001657636222 1196163014 /nfs/dbraw/zinc/16/30/14/1196163014.db2.gz DMQFCUXJGFETTQ-UHFFFAOYSA-N 2 2 320.506 3.317 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC001657680278 1196169453 /nfs/dbraw/zinc/16/94/53/1196169453.db2.gz ANPAPIISIAVOIN-MRXNPFEDSA-N 2 2 314.477 3.439 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001657680278 1196169456 /nfs/dbraw/zinc/16/94/56/1196169456.db2.gz ANPAPIISIAVOIN-MRXNPFEDSA-N 2 2 314.477 3.439 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001658174372 1196221786 /nfs/dbraw/zinc/22/17/86/1196221786.db2.gz CZMLZURHIZNCMW-BFHYXJOUSA-N 2 2 317.458 3.141 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001658174372 1196221789 /nfs/dbraw/zinc/22/17/89/1196221789.db2.gz CZMLZURHIZNCMW-BFHYXJOUSA-N 2 2 317.458 3.141 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850178 1196309015 /nfs/dbraw/zinc/30/90/15/1196309015.db2.gz JXSWJGHTADHCQZ-WFASDCNBSA-N 2 2 320.506 3.317 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850178 1196309025 /nfs/dbraw/zinc/30/90/25/1196309025.db2.gz JXSWJGHTADHCQZ-WFASDCNBSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850178 1196309030 /nfs/dbraw/zinc/30/90/30/1196309030.db2.gz JXSWJGHTADHCQZ-WFASDCNBSA-N 2 2 320.506 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)C[C@@H]1C ZINC001658850178 1196309037 /nfs/dbraw/zinc/30/90/37/1196309037.db2.gz JXSWJGHTADHCQZ-WFASDCNBSA-N 2 2 320.506 3.317 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001658945510 1196324178 /nfs/dbraw/zinc/32/41/78/1196324178.db2.gz PNBDNJOGJBYGME-MISYRCLQSA-N 2 2 317.521 3.012 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001658945510 1196324181 /nfs/dbraw/zinc/32/41/81/1196324181.db2.gz PNBDNJOGJBYGME-MISYRCLQSA-N 2 2 317.521 3.012 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c[nH+]1 ZINC001659246532 1196362969 /nfs/dbraw/zinc/36/29/69/1196362969.db2.gz PTHMCAINKBOZQA-GUDVDZBRSA-N 2 2 311.429 3.268 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c[nH+]1 ZINC001659246532 1196362976 /nfs/dbraw/zinc/36/29/76/1196362976.db2.gz PTHMCAINKBOZQA-GUDVDZBRSA-N 2 2 311.429 3.268 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001659652962 1196402515 /nfs/dbraw/zinc/40/25/15/1196402515.db2.gz OUFVVBPXKJETPO-MOPGFXCFSA-N 2 2 315.505 3.223 20 0 DGADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(C)c1OC(F)F ZINC000075799799 1196422788 /nfs/dbraw/zinc/42/27/88/1196422788.db2.gz FEOSGVSAUCBCKW-CYBMUJFWSA-N 2 2 309.360 3.280 20 0 DGADLP COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001659940174 1196430697 /nfs/dbraw/zinc/43/06/97/1196430697.db2.gz YVTPTSBLXJOTCR-SFHVURJKSA-N 2 2 318.461 3.099 20 0 DGADLP COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001659940174 1196430701 /nfs/dbraw/zinc/43/07/01/1196430701.db2.gz YVTPTSBLXJOTCR-SFHVURJKSA-N 2 2 318.461 3.099 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004378 1196436729 /nfs/dbraw/zinc/43/67/29/1196436729.db2.gz WZDXOMYSQYYTHK-AOIWGVFYSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004378 1196436733 /nfs/dbraw/zinc/43/67/33/1196436733.db2.gz WZDXOMYSQYYTHK-AOIWGVFYSA-N 2 2 308.510 3.436 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001660160352 1196452453 /nfs/dbraw/zinc/45/24/53/1196452453.db2.gz FSGLQSQXWKUSDA-AWEZNQCLSA-N 2 2 321.428 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001660160352 1196452455 /nfs/dbraw/zinc/45/24/55/1196452455.db2.gz FSGLQSQXWKUSDA-AWEZNQCLSA-N 2 2 321.428 3.098 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660371069 1196476421 /nfs/dbraw/zinc/47/64/21/1196476421.db2.gz YSTWXPWJBKGJCH-MAUKXSAKSA-N 2 2 305.466 3.033 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660371069 1196476423 /nfs/dbraw/zinc/47/64/23/1196476423.db2.gz YSTWXPWJBKGJCH-MAUKXSAKSA-N 2 2 305.466 3.033 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[NH+]1CCCCC1 ZINC001661070652 1196561724 /nfs/dbraw/zinc/56/17/24/1196561724.db2.gz OSXHKQIROCWLAC-QRQLOZEOSA-N 2 2 308.510 3.436 20 0 DGADLP c1cn(-c2ccc(CNc3cnn(-c4cc[nH+]cc4)c3)cc2)c[nH+]1 ZINC001661271032 1196590212 /nfs/dbraw/zinc/59/02/12/1196590212.db2.gz RFOYWYCOTCWJJH-UHFFFAOYSA-N 2 2 316.368 3.065 20 0 DGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001661557779 1196619048 /nfs/dbraw/zinc/61/90/48/1196619048.db2.gz HBUWXZPLOKDUKW-CRAIPNDOSA-N 2 2 300.490 3.500 20 0 DGADLP CCC1(C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC001661729950 1196636858 /nfs/dbraw/zinc/63/68/58/1196636858.db2.gz TURYMRWEYMEFPA-UHFFFAOYSA-N 2 2 317.477 3.057 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC001661975396 1196667543 /nfs/dbraw/zinc/66/75/43/1196667543.db2.gz LFDBWIKIBACIHV-OAHLLOKOSA-N 2 2 316.474 3.204 20 0 DGADLP COc1ccc(OC)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000079000665 1196847444 /nfs/dbraw/zinc/84/74/44/1196847444.db2.gz VAJBQRZPRKDQCS-KRWDZBQOSA-N 2 2 317.433 3.105 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@@H]2C1 ZINC001663482851 1196882621 /nfs/dbraw/zinc/88/26/21/1196882621.db2.gz FPNRTWVTJVZVQV-GLQYFDAESA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@@H]2C1 ZINC001663482851 1196882627 /nfs/dbraw/zinc/88/26/27/1196882627.db2.gz FPNRTWVTJVZVQV-GLQYFDAESA-N 2 2 319.499 3.301 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@@H]2C1 ZINC001663482852 1196883099 /nfs/dbraw/zinc/88/30/99/1196883099.db2.gz FPNRTWVTJVZVQV-NILFDRSVSA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@@H]2C1 ZINC001663482852 1196883107 /nfs/dbraw/zinc/88/31/07/1196883107.db2.gz FPNRTWVTJVZVQV-NILFDRSVSA-N 2 2 319.499 3.301 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001663567883 1196906677 /nfs/dbraw/zinc/90/66/77/1196906677.db2.gz HQTKEBSLLGCPQW-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001663567883 1196906679 /nfs/dbraw/zinc/90/66/79/1196906679.db2.gz HQTKEBSLLGCPQW-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP Cc1cc(CN(CC[NH3+])c2ccc3ccccc3n2)cc(C)[nH+]1 ZINC001665022512 1197087745 /nfs/dbraw/zinc/08/77/45/1197087745.db2.gz QXTDATZJFMWADK-UHFFFAOYSA-N 2 2 306.413 3.212 20 0 DGADLP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102368 1197097898 /nfs/dbraw/zinc/09/78/98/1197097898.db2.gz QQWPREQWWMGYLP-GUDVDZBRSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102368 1197097902 /nfs/dbraw/zinc/09/79/02/1197097902.db2.gz QQWPREQWWMGYLP-GUDVDZBRSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccns2)C[N@H+](Cc2ccccc2)C1 ZINC001665542154 1197149414 /nfs/dbraw/zinc/14/94/14/1197149414.db2.gz FTSLWQFIQFOXHC-DOTOQJQBSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccns2)C[N@@H+](Cc2ccccc2)C1 ZINC001665542154 1197149416 /nfs/dbraw/zinc/14/94/16/1197149416.db2.gz FTSLWQFIQFOXHC-DOTOQJQBSA-N 2 2 315.486 3.186 20 0 DGADLP CCC(CC)C[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001667600739 1197366985 /nfs/dbraw/zinc/36/69/85/1197366985.db2.gz WXSISKNSVDJIPI-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP CCC(CC)C[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001667600739 1197366987 /nfs/dbraw/zinc/36/69/87/1197366987.db2.gz WXSISKNSVDJIPI-UHFFFAOYSA-N 2 2 319.493 3.447 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000390353981 1197712352 /nfs/dbraw/zinc/71/23/52/1197712352.db2.gz DETUKBGAWZAPMC-IEBWSBKVSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000390353981 1197712358 /nfs/dbraw/zinc/71/23/58/1197712358.db2.gz DETUKBGAWZAPMC-IEBWSBKVSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390537934 1197713109 /nfs/dbraw/zinc/71/31/09/1197713109.db2.gz PSJLUQXJAPLBOY-AABGKKOBSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390537934 1197713115 /nfs/dbraw/zinc/71/31/15/1197713115.db2.gz PSJLUQXJAPLBOY-AABGKKOBSA-N 2 2 316.489 3.444 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000394786949 1197722036 /nfs/dbraw/zinc/72/20/36/1197722036.db2.gz KXWNRHZDLLRPAE-GFCCVEGCSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000394786949 1197722042 /nfs/dbraw/zinc/72/20/42/1197722042.db2.gz KXWNRHZDLLRPAE-GFCCVEGCSA-N 2 2 315.230 3.162 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674686644 1197832878 /nfs/dbraw/zinc/83/28/78/1197832878.db2.gz HCJIAKFCOCMEAE-IHDARNGBSA-N 2 2 314.433 3.016 20 0 DGADLP CC(C)CSCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003742 1198085503 /nfs/dbraw/zinc/08/55/03/1198085503.db2.gz VSTRVLZCEZSKOD-MRXNPFEDSA-N 2 2 309.523 3.454 20 0 DGADLP CC(C)CSCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003742 1198085512 /nfs/dbraw/zinc/08/55/12/1198085512.db2.gz VSTRVLZCEZSKOD-MRXNPFEDSA-N 2 2 309.523 3.454 20 0 DGADLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C(C)(C)C)n1 ZINC000093961782 1198741564 /nfs/dbraw/zinc/74/15/64/1198741564.db2.gz CADIGLIKSISDTP-UHFFFAOYSA-N 2 2 323.444 3.193 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000098173291 1199204660 /nfs/dbraw/zinc/20/46/60/1199204660.db2.gz DTASWQNAABRISH-INIZCTEOSA-N 2 2 319.468 3.247 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000098173291 1199204663 /nfs/dbraw/zinc/20/46/63/1199204663.db2.gz DTASWQNAABRISH-INIZCTEOSA-N 2 2 319.468 3.247 20 0 DGADLP CO[C@@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000400208872 1199346644 /nfs/dbraw/zinc/34/66/44/1199346644.db2.gz JEXOAQQYPYOYJQ-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CO[C@@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000400208872 1199346650 /nfs/dbraw/zinc/34/66/50/1199346650.db2.gz JEXOAQQYPYOYJQ-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(F)cc2C)cn1 ZINC000101593884 1199391019 /nfs/dbraw/zinc/39/10/19/1199391019.db2.gz ITFKDWGBLUPCIY-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000305176529 1199675749 /nfs/dbraw/zinc/67/57/49/1199675749.db2.gz VJQWEIQISAISCE-MSOLQXFVSA-N 2 2 322.880 3.198 20 0 DGADLP CCC(CC)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755239857 1200725897 /nfs/dbraw/zinc/72/58/97/1200725897.db2.gz HYPODWYYTIZFCW-OLZOCXBDSA-N 2 2 316.449 3.096 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001699408498 1201843403 /nfs/dbraw/zinc/84/34/03/1201843403.db2.gz GGKSGPTYEILJOQ-UONOGXRCSA-N 2 2 322.412 3.032 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001699583196 1201957549 /nfs/dbraw/zinc/95/75/49/1201957549.db2.gz IOKFSNZCJKBWBK-SJKOYZFVSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)c(C)[nH+]1 ZINC001700991938 1202377896 /nfs/dbraw/zinc/37/78/96/1202377896.db2.gz TUNHSFZETCYPDQ-INIZCTEOSA-N 2 2 317.477 3.151 20 0 DGADLP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001707110367 1202573586 /nfs/dbraw/zinc/57/35/86/1202573586.db2.gz DUKZAEMWTFGIBZ-DLBZAZTESA-N 2 2 317.477 3.295 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)c(C(F)(F)F)c1 ZINC000230744933 1202598651 /nfs/dbraw/zinc/59/86/51/1202598651.db2.gz DUTPBJZXHIEWRW-UHFFFAOYSA-N 2 2 304.356 3.185 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c(C(F)(F)F)c1 ZINC000230744933 1202598652 /nfs/dbraw/zinc/59/86/52/1202598652.db2.gz DUTPBJZXHIEWRW-UHFFFAOYSA-N 2 2 304.356 3.185 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000155570643 1202599070 /nfs/dbraw/zinc/59/90/70/1202599070.db2.gz IKWISNQOCZZJBF-INIZCTEOSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000155570643 1202599071 /nfs/dbraw/zinc/59/90/71/1202599071.db2.gz IKWISNQOCZZJBF-INIZCTEOSA-N 2 2 303.837 3.462 20 0 DGADLP CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713392307 1202644653 /nfs/dbraw/zinc/64/46/53/1202644653.db2.gz BIAHHAKLYQZHAW-KRWDZBQOSA-N 2 2 317.477 3.343 20 0 DGADLP CCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713392307 1202644654 /nfs/dbraw/zinc/64/46/54/1202644654.db2.gz BIAHHAKLYQZHAW-KRWDZBQOSA-N 2 2 317.477 3.343 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCC2CCCC2)c(C)[nH+]1 ZINC001714555169 1202997857 /nfs/dbraw/zinc/99/78/57/1202997857.db2.gz QFWOLXXUHMTXQG-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCC2CCCC2)c(C)[nH+]1 ZINC001714555169 1202997863 /nfs/dbraw/zinc/99/78/63/1202997863.db2.gz QFWOLXXUHMTXQG-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CC[C@H](F)C[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001715622395 1203374964 /nfs/dbraw/zinc/37/49/64/1203374964.db2.gz KPJAPTZDASLWKL-JKSUJKDBSA-N 2 2 323.456 3.099 20 0 DGADLP CCCCC[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001715745564 1203386842 /nfs/dbraw/zinc/38/68/42/1203386842.db2.gz PGJCCDBKABQVFJ-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000162416936 1203452780 /nfs/dbraw/zinc/45/27/80/1203452780.db2.gz USFBCIWCFRJIIR-UHFFFAOYSA-N 2 2 320.868 3.189 20 0 DGADLP CC[C@@H](F)C[NH2+]CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001717677549 1203697222 /nfs/dbraw/zinc/69/72/22/1203697222.db2.gz DBGMFGBPKPSOKM-CZUORRHYSA-N 2 2 323.456 3.243 20 0 DGADLP CC[C@H](F)C[NH2+]CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001717677547 1203697265 /nfs/dbraw/zinc/69/72/65/1203697265.db2.gz DBGMFGBPKPSOKM-BBRMVZONSA-N 2 2 323.456 3.243 20 0 DGADLP CCCC[C@@H](C[NH2+]CC1CC1)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725232960 1204123213 /nfs/dbraw/zinc/12/32/13/1204123213.db2.gz UYKVPXIUACNPQJ-KRWDZBQOSA-N 2 2 317.477 3.295 20 0 DGADLP CC/C=C\CC[NH2+]C/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732881308 1204953740 /nfs/dbraw/zinc/95/37/40/1204953740.db2.gz LWJFNAJREXMTLF-HZJYTTRNSA-N 2 2 315.461 3.239 20 0 DGADLP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732959792 1204966077 /nfs/dbraw/zinc/96/60/77/1204966077.db2.gz GJIUERPKMCPWHE-CYBMUJFWSA-N 2 2 316.449 3.097 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164619613 719055195 /nfs/dbraw/zinc/05/51/95/719055195.db2.gz CYLDKDFMVKZKMP-HKUYNNGSSA-N 2 2 323.440 3.191 20 0 DGADLP COc1cc[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164619613 719055198 /nfs/dbraw/zinc/05/51/98/719055198.db2.gz CYLDKDFMVKZKMP-HKUYNNGSSA-N 2 2 323.440 3.191 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC001169494305 1081576224 /nfs/dbraw/zinc/57/62/24/1081576224.db2.gz HLTFKGBDFDCTON-HLIPFELVSA-N 2 2 316.489 3.433 20 0 DGADLP Cc1cc(N)[nH+]cc1Nc1c[nH+]c2ccc(Br)cn12 ZINC001209968540 1081848045 /nfs/dbraw/zinc/84/80/45/1081848045.db2.gz VGTSMJMHQSHYOA-UHFFFAOYSA-N 2 2 318.178 3.126 20 0 DGADLP CC(C)CCC[C@@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170078026 1082004757 /nfs/dbraw/zinc/00/47/57/1082004757.db2.gz OGUWANFUYGVOTP-OAHLLOKOSA-N 2 2 316.449 3.492 20 0 DGADLP CC(C)CCC[C@@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170078026 1082004763 /nfs/dbraw/zinc/00/47/63/1082004763.db2.gz OGUWANFUYGVOTP-OAHLLOKOSA-N 2 2 316.449 3.492 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(Br)c1Cl)C[NH+](C)C ZINC000706494347 1082037649 /nfs/dbraw/zinc/03/76/49/1082037649.db2.gz JHGMNSGQCDAFHL-SNVBAGLBSA-N 2 2 319.674 3.390 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170126472 1082132626 /nfs/dbraw/zinc/13/26/26/1082132626.db2.gz ZANAELGUXRTFOC-XGXHKWSGSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170126472 1082132630 /nfs/dbraw/zinc/13/26/30/1082132630.db2.gz ZANAELGUXRTFOC-XGXHKWSGSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]1C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001170206675 1082311938 /nfs/dbraw/zinc/31/19/38/1082311938.db2.gz ABCAGPHXLCDCMT-MSOLQXFVSA-N 2 2 306.494 3.284 20 0 DGADLP CC[C@H]1C[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCO1 ZINC001170206675 1082311943 /nfs/dbraw/zinc/31/19/43/1082311943.db2.gz ABCAGPHXLCDCMT-MSOLQXFVSA-N 2 2 306.494 3.284 20 0 DGADLP CCCC[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001266912988 1082333081 /nfs/dbraw/zinc/33/30/81/1082333081.db2.gz BSSYKKGCECVMOA-UHFFFAOYSA-N 2 2 317.477 3.438 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H](C)Cc1ccccc1Cl)CC[NH2+]CC2 ZINC001170277224 1082340472 /nfs/dbraw/zinc/34/04/72/1082340472.db2.gz RCZCOKOSZKUEGF-LBPRGKRZSA-N 2 2 303.837 3.337 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001170427919 1082396886 /nfs/dbraw/zinc/39/68/86/1082396886.db2.gz BYZQXYQNUFYIRP-MRXNPFEDSA-N 2 2 323.396 3.174 20 0 DGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001130001079 1082517616 /nfs/dbraw/zinc/51/76/16/1082517616.db2.gz BTZLJEPOKWWQIL-INIZCTEOSA-N 2 2 322.497 3.002 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001207286371 1082523111 /nfs/dbraw/zinc/52/31/11/1082523111.db2.gz QYPZOWIOQJIACA-CQSZACIVSA-N 2 2 312.404 3.006 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001207286371 1082523112 /nfs/dbraw/zinc/52/31/12/1082523112.db2.gz QYPZOWIOQJIACA-CQSZACIVSA-N 2 2 312.404 3.006 20 0 DGADLP Cc1cccnc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000103712959 1082686985 /nfs/dbraw/zinc/68/69/85/1082686985.db2.gz GWRXMZFSEPEDEW-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739961 1083326734 /nfs/dbraw/zinc/32/67/34/1083326734.db2.gz MJYNNLRMHBZZOI-UONOGXRCSA-N 2 2 316.449 3.096 20 0 DGADLP C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC001182196729 1083645316 /nfs/dbraw/zinc/64/53/16/1083645316.db2.gz VFHUPBXZZOZDLD-LBPRGKRZSA-N 2 2 313.283 3.482 20 0 DGADLP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001182595865 1083760361 /nfs/dbraw/zinc/76/03/61/1083760361.db2.gz XCNXCCLOVLNFOZ-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001182595865 1083760371 /nfs/dbraw/zinc/76/03/71/1083760371.db2.gz XCNXCCLOVLNFOZ-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1[nH+]c(N)ccc1CNc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001167785737 1083922188 /nfs/dbraw/zinc/92/21/88/1083922188.db2.gz BOBCNXJFQCPXTN-UHFFFAOYSA-N 2 2 308.429 3.283 20 0 DGADLP C[C@H]([NH2+]CC1SCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000692856874 1083966768 /nfs/dbraw/zinc/96/67/68/1083966768.db2.gz UZJIKACPJVSFFA-LBPRGKRZSA-N 2 2 305.472 3.329 20 0 DGADLP C[C@@H]([NH2+]CC1SCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000692856873 1083966781 /nfs/dbraw/zinc/96/67/81/1083966781.db2.gz UZJIKACPJVSFFA-GFCCVEGCSA-N 2 2 305.472 3.329 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205280881 1084018525 /nfs/dbraw/zinc/01/85/25/1084018525.db2.gz KWOQKESHVFKLAF-CYBMUJFWSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC1 ZINC001205280881 1084018532 /nfs/dbraw/zinc/01/85/32/1084018532.db2.gz KWOQKESHVFKLAF-CYBMUJFWSA-N 2 2 321.774 3.457 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001184364020 1084158006 /nfs/dbraw/zinc/15/80/06/1084158006.db2.gz JZOGSXZCNFBVTP-UHFFFAOYSA-N 2 2 321.428 3.190 20 0 DGADLP CCc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(CC)[nH+]1 ZINC001184865424 1084283249 /nfs/dbraw/zinc/28/32/49/1084283249.db2.gz POEVHMGXTOXKPI-HUUCEWRRSA-N 2 2 304.482 3.381 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709868226 1084584773 /nfs/dbraw/zinc/58/47/73/1084584773.db2.gz NINABPPVDZSOCP-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709868226 1084584777 /nfs/dbraw/zinc/58/47/77/1084584777.db2.gz NINABPPVDZSOCP-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP CCN(CCC[NH+](CC)CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001186157024 1084603374 /nfs/dbraw/zinc/60/33/74/1084603374.db2.gz OHDNRZBVTHGCJL-UHFFFAOYSA-N 2 2 304.482 3.222 20 0 DGADLP COc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001143533596 1084609203 /nfs/dbraw/zinc/60/92/03/1084609203.db2.gz IPZOBEYMPHOJQZ-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001143533596 1084609207 /nfs/dbraw/zinc/60/92/07/1084609207.db2.gz IPZOBEYMPHOJQZ-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001482125295 1084846469 /nfs/dbraw/zinc/84/64/69/1084846469.db2.gz WAMHDMMUOLQZEI-STQMWFEESA-N 2 2 305.466 3.008 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001268654855 1084920214 /nfs/dbraw/zinc/92/02/14/1084920214.db2.gz NTSYRPLYYQSAQY-OAHLLOKOSA-N 2 2 317.477 3.295 20 0 DGADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1 ZINC001167958455 1085615923 /nfs/dbraw/zinc/61/59/23/1085615923.db2.gz FDFXBYOAFBITNH-ALOPSCKCSA-N 2 2 306.400 3.460 20 0 DGADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1 ZINC001167958455 1085615928 /nfs/dbraw/zinc/61/59/28/1085615928.db2.gz FDFXBYOAFBITNH-ALOPSCKCSA-N 2 2 306.400 3.460 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001270460805 1085823178 /nfs/dbraw/zinc/82/31/78/1085823178.db2.gz PKGZGDHZOKHDML-ZDUSSCGKSA-N 2 2 317.477 3.153 20 0 DGADLP Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1 ZINC001167974374 1085914470 /nfs/dbraw/zinc/91/44/70/1085914470.db2.gz YGRGQPWORIOVGA-MQVJKMGUSA-N 2 2 304.409 3.026 20 0 DGADLP Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1 ZINC001167974374 1085914482 /nfs/dbraw/zinc/91/44/82/1085914482.db2.gz YGRGQPWORIOVGA-MQVJKMGUSA-N 2 2 304.409 3.026 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CCCF)CC(C)C)c(C)[nH+]1 ZINC001482389850 1086115897 /nfs/dbraw/zinc/11/58/97/1086115897.db2.gz YQJWVKMPVBZMJK-MRXNPFEDSA-N 2 2 323.456 3.101 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009121 1086175891 /nfs/dbraw/zinc/17/58/91/1086175891.db2.gz GYABSUUDNWHSBR-ROUUACIJSA-N 3 2 317.521 3.487 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009121 1086175894 /nfs/dbraw/zinc/17/58/94/1086175894.db2.gz GYABSUUDNWHSBR-ROUUACIJSA-N 3 2 317.521 3.487 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009238 1086176922 /nfs/dbraw/zinc/17/69/22/1086176922.db2.gz HNRIIFIEEPJQQI-OPVJXMOQSA-N 3 2 317.521 3.489 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009238 1086176926 /nfs/dbraw/zinc/17/69/26/1086176926.db2.gz HNRIIFIEEPJQQI-OPVJXMOQSA-N 3 2 317.521 3.489 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009238 1086176932 /nfs/dbraw/zinc/17/69/32/1086176932.db2.gz HNRIIFIEEPJQQI-OPVJXMOQSA-N 3 2 317.521 3.489 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009238 1086176940 /nfs/dbraw/zinc/17/69/40/1086176940.db2.gz HNRIIFIEEPJQQI-OPVJXMOQSA-N 3 2 317.521 3.489 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001648961097 1086422894 /nfs/dbraw/zinc/42/28/94/1086422894.db2.gz XMIWXQDDFSTNCC-MRXNPFEDSA-N 2 2 314.477 3.439 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001648961097 1086422900 /nfs/dbraw/zinc/42/29/00/1086422900.db2.gz XMIWXQDDFSTNCC-MRXNPFEDSA-N 2 2 314.477 3.439 20 0 DGADLP C[C@H]1CC([NH+]2CCC(C)([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025332 1086432509 /nfs/dbraw/zinc/43/25/09/1086432509.db2.gz JOZMCIXHEZYHDE-IRXDYDNUSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(F)cc1Br)[NH+](C)C ZINC000697852535 1087344573 /nfs/dbraw/zinc/34/45/73/1087344573.db2.gz MRIHPDMMUFOXMI-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP COc1cnccc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168370599 1087441151 /nfs/dbraw/zinc/44/11/51/1087441151.db2.gz BZQXTYPRKHGPQU-LJQANCHMSA-N 2 2 315.461 3.005 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)nc2C)CC1 ZINC001141430803 1087560938 /nfs/dbraw/zinc/56/09/38/1087560938.db2.gz NQLBRJKLYLBKFM-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)nc2C)CC1 ZINC001141430803 1087560939 /nfs/dbraw/zinc/56/09/39/1087560939.db2.gz NQLBRJKLYLBKFM-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2c([nH+]1)CCC2 ZINC001158267339 1087751249 /nfs/dbraw/zinc/75/12/49/1087751249.db2.gz WQCHFEUBDBWLLO-ACJLOTCBSA-N 2 2 302.466 3.229 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205117680 1088010441 /nfs/dbraw/zinc/01/04/41/1088010441.db2.gz RLQPZCJANKQUIL-SNVBAGLBSA-N 2 2 303.269 3.132 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205117680 1088010458 /nfs/dbraw/zinc/01/04/58/1088010458.db2.gz RLQPZCJANKQUIL-SNVBAGLBSA-N 2 2 303.269 3.132 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030507 1088159361 /nfs/dbraw/zinc/15/93/61/1088159361.db2.gz AUGKUVPSZUOEQW-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030507 1088159371 /nfs/dbraw/zinc/15/93/71/1088159371.db2.gz AUGKUVPSZUOEQW-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1c(F)ccc(F)c1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261396 1088260275 /nfs/dbraw/zinc/26/02/75/1088260275.db2.gz KSEGIGOEVWQUFV-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP CC(C)[NH2+]c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001159334187 1088302000 /nfs/dbraw/zinc/30/20/00/1088302000.db2.gz PMVFAEICLDQTBN-QGZVFWFLSA-N 2 2 312.417 3.386 20 0 DGADLP COc1cc[nH+]cc1Nc1cnccc1[C@@H]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001159387170 1088329371 /nfs/dbraw/zinc/32/93/71/1088329371.db2.gz AKMJZFFLQSLSTI-MJBXVCDLSA-N 2 2 312.417 3.460 20 0 DGADLP CN(C)c1ccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)c[nH+]1 ZINC001159949125 1088567435 /nfs/dbraw/zinc/56/74/35/1088567435.db2.gz LQSSVRVRPRVOOT-KRWDZBQOSA-N 2 2 312.417 3.022 20 0 DGADLP c1[nH]c2c(cccc2Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)[nH+]1 ZINC001159954338 1088570769 /nfs/dbraw/zinc/57/07/69/1088570769.db2.gz TVSWOFLROXNVFX-HNNXBMFYSA-N 2 2 308.385 3.437 20 0 DGADLP [NH3+][C@H]1CCCN(c2ccc(Nc3cccc4[nH+]c[nH]c43)cc2)C1 ZINC001159987162 1088589168 /nfs/dbraw/zinc/58/91/68/1088589168.db2.gz VFPNTUTXYRWYSJ-ZDUSSCGKSA-N 2 2 307.401 3.234 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)c1 ZINC001160055599 1088624503 /nfs/dbraw/zinc/62/45/03/1088624503.db2.gz DTPLVPKOTNIVOM-CQSZACIVSA-N 2 2 300.381 3.119 20 0 DGADLP Cc1c[nH+]cc(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)c1C ZINC001160070721 1088630261 /nfs/dbraw/zinc/63/02/61/1088630261.db2.gz HOOFNKAGDBXCTA-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP Cc1ccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC001160128669 1088654496 /nfs/dbraw/zinc/65/44/96/1088654496.db2.gz SJADVLOIAMDTFC-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP Cc1cc(C)c(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC001160129818 1088656231 /nfs/dbraw/zinc/65/62/31/1088656231.db2.gz JUJYAZNAMKNVQY-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001160400105 1088786049 /nfs/dbraw/zinc/78/60/49/1088786049.db2.gz PUBCRJHHOYMBIR-KBXCAEBGSA-N 2 2 307.397 3.459 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160400107 1088787358 /nfs/dbraw/zinc/78/73/58/1088787358.db2.gz PUBCRJHHOYMBIR-KSSFIOAISA-N 2 2 307.397 3.459 20 0 DGADLP Cc1cc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001155096649 1088943080 /nfs/dbraw/zinc/94/30/80/1088943080.db2.gz UKTGGPXUZWKAFK-GOSISDBHSA-N 2 2 322.456 3.328 20 0 DGADLP Cc1cc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001155096649 1088943098 /nfs/dbraw/zinc/94/30/98/1088943098.db2.gz UKTGGPXUZWKAFK-GOSISDBHSA-N 2 2 322.456 3.328 20 0 DGADLP COc1cc2cc[nH+]c(NCC[C@H]3CCC[N@@H+]3C)c2cc1F ZINC001160968530 1089050290 /nfs/dbraw/zinc/05/02/90/1089050290.db2.gz OWECWYFJCLICHU-CYBMUJFWSA-N 2 2 303.381 3.279 20 0 DGADLP COc1cc2cc[nH+]c(NCC[C@H]3CCC[N@H+]3C)c2cc1F ZINC001160968530 1089050310 /nfs/dbraw/zinc/05/03/10/1089050310.db2.gz OWECWYFJCLICHU-CYBMUJFWSA-N 2 2 303.381 3.279 20 0 DGADLP Clc1ccc2c(cc[nH+]c2NCC[C@H]2CCOC23C[NH2+]C3)c1 ZINC001155479077 1089130889 /nfs/dbraw/zinc/13/08/89/1089130889.db2.gz ZIMITEHAYOKEBP-ZDUSSCGKSA-N 2 2 317.820 3.069 20 0 DGADLP Cc1nc(NCC2CC[NH+](CC3CCC3)CC2)c2c([nH+]1)CCC2 ZINC001161233879 1089163429 /nfs/dbraw/zinc/16/34/29/1089163429.db2.gz HGAKKDCQGACJJA-UHFFFAOYSA-N 2 2 314.477 3.198 20 0 DGADLP Cc1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]c2ccccc12 ZINC001155599240 1089180799 /nfs/dbraw/zinc/18/07/99/1089180799.db2.gz SBGAXBFLFNMFLR-BEFAXECRSA-N 2 2 311.429 3.114 20 0 DGADLP Clc1ccc2c(cc[nH+]c2N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001155618190 1089187831 /nfs/dbraw/zinc/18/78/31/1089187831.db2.gz LMCBMVYGQCHMJS-YOEHRIQHSA-N 2 2 317.820 3.211 20 0 DGADLP Cc1nc(NC[C@H]2C[NH2+]CC(C)(C)O2)cc(C2CCCCC2)[nH+]1 ZINC001161956467 1089491561 /nfs/dbraw/zinc/49/15/61/1089491561.db2.gz QVWRQNRXKMWDHS-OAHLLOKOSA-N 2 2 318.465 3.012 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1CN(c1[nH+]ccc3cc(Cl)ccc31)C2 ZINC001156385058 1089500660 /nfs/dbraw/zinc/50/06/60/1089500660.db2.gz HFJVYZXNBWPPBB-CXAGYDPISA-N 2 2 301.821 3.276 20 0 DGADLP C[C@@]1([NH3+])C[C@H](Nc2[nH+]cccc2OCc2ccc(F)cc2)C1 ZINC001162328966 1089675972 /nfs/dbraw/zinc/67/59/72/1089675972.db2.gz UJIFAOZVXDHNNQ-KDYLLFBJSA-N 2 2 301.365 3.091 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1[nH+]ccc2c1ccn2C ZINC001156776176 1089690466 /nfs/dbraw/zinc/69/04/66/1089690466.db2.gz VOMMAMDJOBGXQU-UHFFFAOYSA-N 2 2 317.396 3.395 20 0 DGADLP Cc1cc(NC[C@]2(CC3CC3)CCC[NH2+]2)nc(C(C)(C)C)[nH+]1 ZINC001162353776 1089691574 /nfs/dbraw/zinc/69/15/74/1089691574.db2.gz ZIQRBCMAXFBKFV-GOSISDBHSA-N 2 2 302.466 3.417 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](Nc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001162397450 1089713917 /nfs/dbraw/zinc/71/39/17/1089713917.db2.gz UTJUWTFTUXFOGG-ZJUUUORDSA-N 2 2 309.211 3.007 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](Nc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001162397450 1089713932 /nfs/dbraw/zinc/71/39/32/1089713932.db2.gz UTJUWTFTUXFOGG-ZJUUUORDSA-N 2 2 309.211 3.007 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](Nc2c(Br)c[nH+]c3ccccc32)C1 ZINC001162402650 1089717461 /nfs/dbraw/zinc/71/74/61/1089717461.db2.gz UZUPCQXMMBNIEQ-MNOVXSKESA-N 2 2 320.234 3.101 20 0 DGADLP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)nc1N1CCCC1 ZINC001156927961 1089752217 /nfs/dbraw/zinc/75/22/17/1089752217.db2.gz HBJNXJUTDUZKAQ-MRXNPFEDSA-N 2 2 317.481 3.062 20 0 DGADLP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)nc1N1CCCC1 ZINC001156927961 1089752229 /nfs/dbraw/zinc/75/22/29/1089752229.db2.gz HBJNXJUTDUZKAQ-MRXNPFEDSA-N 2 2 317.481 3.062 20 0 DGADLP Cc1cc2[nH]ccc2c(-n2cncc2-c2cccc(C[NH3+])c2)[nH+]1 ZINC001162563537 1089789524 /nfs/dbraw/zinc/78/95/24/1089789524.db2.gz NCNRALXXPOVPMV-UHFFFAOYSA-N 2 2 303.369 3.183 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(N[C@@H]3CC[NH2+][C@@H]3C)ccc21 ZINC001162680822 1089881494 /nfs/dbraw/zinc/88/14/94/1089881494.db2.gz QDZPCHBBPDWWDK-UKRRQHHQSA-N 2 2 322.412 3.196 20 0 DGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248622 1089890174 /nfs/dbraw/zinc/89/01/74/1089890174.db2.gz SPZDZDURVLPIJU-QGZVFWFLSA-N 2 2 322.497 3.070 20 0 DGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248622 1089890191 /nfs/dbraw/zinc/89/01/91/1089890191.db2.gz SPZDZDURVLPIJU-QGZVFWFLSA-N 2 2 322.497 3.070 20 0 DGADLP CC(C)n1ccc2c1nc[nH+]c2NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001162813486 1089972204 /nfs/dbraw/zinc/97/22/04/1089972204.db2.gz VTESYCNLYDVADG-LBPRGKRZSA-N 2 2 323.391 3.059 20 0 DGADLP C[NH+](C)Cc1c(F)cc(N2C[C@@H]([NH3+])Cc3ccccc32)cc1F ZINC001162855172 1089994525 /nfs/dbraw/zinc/99/45/25/1089994525.db2.gz ZJVPAZONKVFNDM-ZDUSSCGKSA-N 2 2 317.383 3.048 20 0 DGADLP CC[NH+](CC)CCN(CC(C)C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001162885855 1090007002 /nfs/dbraw/zinc/00/70/02/1090007002.db2.gz BWUIZTIRIHUAPA-UHFFFAOYSA-N 2 2 304.482 3.467 20 0 DGADLP Cc1nc(N(C)CC[N@H+](C)Cc2ccccc2)cc(C(C)C)[nH+]1 ZINC001157551819 1090020649 /nfs/dbraw/zinc/02/06/49/1090020649.db2.gz RXZBKDQDJULLGM-UHFFFAOYSA-N 2 2 312.461 3.477 20 0 DGADLP Cc1nc(N(C)CC[N@@H+](C)Cc2ccccc2)cc(C(C)C)[nH+]1 ZINC001157551819 1090020663 /nfs/dbraw/zinc/02/06/63/1090020663.db2.gz RXZBKDQDJULLGM-UHFFFAOYSA-N 2 2 312.461 3.477 20 0 DGADLP COc1ccc2cc[nH+]c(Nc3ccc([C@@H](C[NH3+])CO)cc3)c2c1 ZINC001163051725 1090063317 /nfs/dbraw/zinc/06/33/17/1090063317.db2.gz AFTYNSRQJUKOSS-HNNXBMFYSA-N 2 2 323.396 3.022 20 0 DGADLP CCCc1cc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)nc(C)[nH+]1 ZINC001163218592 1090119661 /nfs/dbraw/zinc/11/96/61/1090119661.db2.gz PDZFQEMBVXCLQN-UHFFFAOYSA-N 2 2 307.401 3.049 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CC[C@@H](C)F)c(C)[nH+]1 ZINC001485731329 1090258867 /nfs/dbraw/zinc/25/88/67/1090258867.db2.gz TZANWAWPKHFQEZ-KGLIPLIRSA-N 2 2 323.456 3.243 20 0 DGADLP CCc1cc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001165091392 1090464028 /nfs/dbraw/zinc/46/40/28/1090464028.db2.gz ZZRUMBOWKGWJMK-HKUYNNGSSA-N 2 2 322.456 3.058 20 0 DGADLP CCc1cc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001165091392 1090464032 /nfs/dbraw/zinc/46/40/32/1090464032.db2.gz ZZRUMBOWKGWJMK-HKUYNNGSSA-N 2 2 322.456 3.058 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cccc(N(C)C)[nH+]1 ZINC001165202336 1090479813 /nfs/dbraw/zinc/47/98/13/1090479813.db2.gz UIOXNWVQCBVICS-DLBZAZTESA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cccc(N(C)C)[nH+]1 ZINC001165202336 1090479816 /nfs/dbraw/zinc/47/98/16/1090479816.db2.gz UIOXNWVQCBVICS-DLBZAZTESA-N 2 2 324.472 3.247 20 0 DGADLP Cc1[nH+]c2c(n1-c1cc(C)c3cccc(C)c3n1)CC[NH2+]CC2 ZINC001165352048 1090510183 /nfs/dbraw/zinc/51/01/83/1090510183.db2.gz MKBPLJCOKUWKFX-UHFFFAOYSA-N 2 2 306.413 3.034 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2scnc2Cl)CC1 ZINC001137820001 1090675249 /nfs/dbraw/zinc/67/52/49/1090675249.db2.gz NWMDMSCOTAIXIM-UHFFFAOYSA-N 2 2 322.865 3.239 20 0 DGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001203841716 1090818048 /nfs/dbraw/zinc/81/80/48/1090818048.db2.gz UIXZVOSTDWKGNA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001203841716 1090818053 /nfs/dbraw/zinc/81/80/53/1090818053.db2.gz UIXZVOSTDWKGNA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203914386 1090837700 /nfs/dbraw/zinc/83/77/00/1090837700.db2.gz UJCPHVNBRILMOX-HOTGVXAUSA-N 2 2 316.445 3.451 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001204036081 1090878067 /nfs/dbraw/zinc/87/80/67/1090878067.db2.gz MNNDMQYTWXYRII-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001204036081 1090878072 /nfs/dbraw/zinc/87/80/72/1090878072.db2.gz MNNDMQYTWXYRII-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC001204036081 1090878074 /nfs/dbraw/zinc/87/80/74/1090878074.db2.gz MNNDMQYTWXYRII-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC001204036081 1090878079 /nfs/dbraw/zinc/87/80/79/1090878079.db2.gz MNNDMQYTWXYRII-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069711 1090889802 /nfs/dbraw/zinc/88/98/02/1090889802.db2.gz BKLLEFLLUODBCF-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069711 1090889810 /nfs/dbraw/zinc/88/98/10/1090889810.db2.gz BKLLEFLLUODBCF-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069711 1090889822 /nfs/dbraw/zinc/88/98/22/1090889822.db2.gz BKLLEFLLUODBCF-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069711 1090889826 /nfs/dbraw/zinc/88/98/26/1090889826.db2.gz BKLLEFLLUODBCF-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP CCOC(OCC)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001204129498 1090906386 /nfs/dbraw/zinc/90/63/86/1090906386.db2.gz UQRQMRPSFCZXHC-MRXNPFEDSA-N 2 2 320.477 3.028 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)c1 ZINC001204440949 1090969640 /nfs/dbraw/zinc/96/96/40/1090969640.db2.gz AWFAIGIHWRSVTL-WMZOPIPTSA-N 2 2 315.461 3.205 20 0 DGADLP COc1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001204518155 1090989227 /nfs/dbraw/zinc/98/92/27/1090989227.db2.gz UEQGBVJSYJLQES-UYAOXDASSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001204518155 1090989232 /nfs/dbraw/zinc/98/92/32/1090989232.db2.gz UEQGBVJSYJLQES-UYAOXDASSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)ccc2c1 ZINC001204518155 1090989235 /nfs/dbraw/zinc/98/92/35/1090989235.db2.gz UEQGBVJSYJLQES-UYAOXDASSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)ccc2c1 ZINC001204518155 1090989239 /nfs/dbraw/zinc/98/92/39/1090989239.db2.gz UEQGBVJSYJLQES-UYAOXDASSA-N 2 2 310.441 3.374 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001204550006 1090997962 /nfs/dbraw/zinc/99/79/62/1090997962.db2.gz DPEMPHRIUIHXKL-OAHLLOKOSA-N 2 2 303.475 3.460 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001204550006 1090997964 /nfs/dbraw/zinc/99/79/64/1090997964.db2.gz DPEMPHRIUIHXKL-OAHLLOKOSA-N 2 2 303.475 3.460 20 0 DGADLP C[N@H+](CC[NH3+])Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001204700130 1091019468 /nfs/dbraw/zinc/01/94/68/1091019468.db2.gz XWHGGYJSKPGAET-UHFFFAOYSA-N 2 2 309.413 3.137 20 0 DGADLP C[N@@H+](CC[NH3+])Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001204700130 1091019475 /nfs/dbraw/zinc/01/94/75/1091019475.db2.gz XWHGGYJSKPGAET-UHFFFAOYSA-N 2 2 309.413 3.137 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cccc2Br)C1 ZINC001205017468 1091084680 /nfs/dbraw/zinc/08/46/80/1091084680.db2.gz ONXMECMZKPLDAE-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cccc2Br)C1 ZINC001205017468 1091084686 /nfs/dbraw/zinc/08/46/86/1091084686.db2.gz ONXMECMZKPLDAE-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cccc(C)c3C)CC2)nc(C)[nH+]1 ZINC001205089698 1091099829 /nfs/dbraw/zinc/09/98/29/1091099829.db2.gz XKVWNRVZLYRXCM-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205109484 1091104630 /nfs/dbraw/zinc/10/46/30/1091104630.db2.gz GYWTWNQAGLEKLM-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205109484 1091104634 /nfs/dbraw/zinc/10/46/34/1091104634.db2.gz GYWTWNQAGLEKLM-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP CCc1sc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205117722 1091106660 /nfs/dbraw/zinc/10/66/60/1091106660.db2.gz SRGSWGUFKIKIEW-SNVBAGLBSA-N 2 2 317.296 3.386 20 0 DGADLP CCc1sc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205117722 1091106661 /nfs/dbraw/zinc/10/66/61/1091106661.db2.gz SRGSWGUFKIKIEW-SNVBAGLBSA-N 2 2 317.296 3.386 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(Br)cs2)CC1 ZINC001205266939 1091156737 /nfs/dbraw/zinc/15/67/37/1091156737.db2.gz YLXVIWXDLAFDSV-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC001205266939 1091156744 /nfs/dbraw/zinc/15/67/44/1091156744.db2.gz YLXVIWXDLAFDSV-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(OC)c1Cl ZINC001205296056 1091169498 /nfs/dbraw/zinc/16/94/98/1091169498.db2.gz FVVTWSFWHJSCQZ-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OC)c1Cl ZINC001205296056 1091169500 /nfs/dbraw/zinc/16/95/00/1091169500.db2.gz FVVTWSFWHJSCQZ-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205297044 1091171436 /nfs/dbraw/zinc/17/14/36/1091171436.db2.gz XWBSJPRCQLXMQZ-KRWDZBQOSA-N 2 2 317.458 3.219 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205297044 1091171448 /nfs/dbraw/zinc/17/14/48/1091171448.db2.gz XWBSJPRCQLXMQZ-KRWDZBQOSA-N 2 2 317.458 3.219 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205304312 1091175398 /nfs/dbraw/zinc/17/53/98/1091175398.db2.gz NSHGDXFVWPJDMH-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205304312 1091175402 /nfs/dbraw/zinc/17/54/02/1091175402.db2.gz NSHGDXFVWPJDMH-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205376967 1091205365 /nfs/dbraw/zinc/20/53/65/1091205365.db2.gz PTAAUJYRBXDMGN-GOSISDBHSA-N 2 2 310.441 3.082 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205376967 1091205374 /nfs/dbraw/zinc/20/53/74/1091205374.db2.gz PTAAUJYRBXDMGN-GOSISDBHSA-N 2 2 310.441 3.082 20 0 DGADLP C[N@@H+](Cc1cccc2c3ccccc3oc21)C[C@H]1C[NH2+]CCO1 ZINC001205377495 1091206849 /nfs/dbraw/zinc/20/68/49/1091206849.db2.gz YBTOTTLAEGTARU-OAHLLOKOSA-N 2 2 310.397 3.006 20 0 DGADLP C[N@H+](Cc1cccc2c3ccccc3oc21)C[C@H]1C[NH2+]CCO1 ZINC001205377495 1091206861 /nfs/dbraw/zinc/20/68/61/1091206861.db2.gz YBTOTTLAEGTARU-OAHLLOKOSA-N 2 2 310.397 3.006 20 0 DGADLP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431823 1091219519 /nfs/dbraw/zinc/21/95/19/1091219519.db2.gz UDRMNLHPWJNWFQ-LNLFQRSKSA-N 2 2 303.494 3.060 20 0 DGADLP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431823 1091219530 /nfs/dbraw/zinc/21/95/30/1091219530.db2.gz UDRMNLHPWJNWFQ-LNLFQRSKSA-N 2 2 303.494 3.060 20 0 DGADLP COc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001138587364 1091244684 /nfs/dbraw/zinc/24/46/84/1091244684.db2.gz OINQPWOBYZLSRX-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001138690035 1091288872 /nfs/dbraw/zinc/28/88/72/1091288872.db2.gz ZTHDVEAYMVEAOH-SJKOYZFVSA-N 2 2 303.837 3.205 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001138690035 1091288877 /nfs/dbraw/zinc/28/88/77/1091288877.db2.gz ZTHDVEAYMVEAOH-SJKOYZFVSA-N 2 2 303.837 3.205 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnoc3)C[C@@H]21 ZINC001205696644 1091316811 /nfs/dbraw/zinc/31/68/11/1091316811.db2.gz DKRUDWCQGPMAJF-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnoc3)C[C@@H]21 ZINC001205696644 1091316824 /nfs/dbraw/zinc/31/68/24/1091316824.db2.gz DKRUDWCQGPMAJF-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cnoc3)C[C@@H]21 ZINC001205696644 1091316835 /nfs/dbraw/zinc/31/68/35/1091316835.db2.gz DKRUDWCQGPMAJF-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cnoc3)C[C@@H]21 ZINC001205696644 1091316850 /nfs/dbraw/zinc/31/68/50/1091316850.db2.gz DKRUDWCQGPMAJF-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001205821738 1091365757 /nfs/dbraw/zinc/36/57/57/1091365757.db2.gz GBLPFQDXPSKVOH-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001205821738 1091365760 /nfs/dbraw/zinc/36/57/60/1091365760.db2.gz GBLPFQDXPSKVOH-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205830247 1091372347 /nfs/dbraw/zinc/37/23/47/1091372347.db2.gz SHTYBQDQIQJEFS-ZFWWWQNUSA-N 2 2 301.434 3.126 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205830247 1091372356 /nfs/dbraw/zinc/37/23/56/1091372356.db2.gz SHTYBQDQIQJEFS-ZFWWWQNUSA-N 2 2 301.434 3.126 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842132 1091376613 /nfs/dbraw/zinc/37/66/13/1091376613.db2.gz MQINBNZGZSNXGB-NVXWUHKLSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842132 1091376623 /nfs/dbraw/zinc/37/66/23/1091376623.db2.gz MQINBNZGZSNXGB-NVXWUHKLSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845339 1091377425 /nfs/dbraw/zinc/37/74/25/1091377425.db2.gz ZPZYIRDKZCYOQB-ZFWWWQNUSA-N 2 2 301.409 3.380 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845339 1091377435 /nfs/dbraw/zinc/37/74/35/1091377435.db2.gz ZPZYIRDKZCYOQB-ZFWWWQNUSA-N 2 2 301.409 3.380 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205855671 1091379793 /nfs/dbraw/zinc/37/97/93/1091379793.db2.gz PAMNVZYXSWIBEH-QAPCUYQASA-N 3 2 313.489 3.247 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205855671 1091379804 /nfs/dbraw/zinc/37/98/04/1091379804.db2.gz PAMNVZYXSWIBEH-QAPCUYQASA-N 3 2 313.489 3.247 20 0 DGADLP Cc1cnccc1C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001205857319 1091382736 /nfs/dbraw/zinc/38/27/36/1091382736.db2.gz AARGSYZRUGZXSL-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cnccc1C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001205857319 1091382744 /nfs/dbraw/zinc/38/27/44/1091382744.db2.gz AARGSYZRUGZXSL-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(C(F)(F)F)c1 ZINC001205913763 1091406573 /nfs/dbraw/zinc/40/65/73/1091406573.db2.gz JOOBTCMVARGLAM-WCQYABFASA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(C(F)(F)F)c1 ZINC001205913763 1091406574 /nfs/dbraw/zinc/40/65/74/1091406574.db2.gz JOOBTCMVARGLAM-WCQYABFASA-N 2 2 316.367 3.273 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916139 1091411120 /nfs/dbraw/zinc/41/11/20/1091411120.db2.gz RZMSLSQFDPYQEW-ONGXEEELSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916139 1091411131 /nfs/dbraw/zinc/41/11/31/1091411131.db2.gz RZMSLSQFDPYQEW-ONGXEEELSA-N 2 2 317.296 3.378 20 0 DGADLP C[C@@]1(F)CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139056184 1091431926 /nfs/dbraw/zinc/43/19/26/1091431926.db2.gz YQQYEDBPUYPWDS-LJQANCHMSA-N 2 2 320.452 3.233 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001206043890 1091467306 /nfs/dbraw/zinc/46/73/06/1091467306.db2.gz YHWLZYBFFSAMMI-CZUORRHYSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c2c(OC)cccc12 ZINC001206043890 1091467308 /nfs/dbraw/zinc/46/73/08/1091467308.db2.gz YHWLZYBFFSAMMI-CZUORRHYSA-N 2 2 314.429 3.026 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043915 1091467528 /nfs/dbraw/zinc/46/75/28/1091467528.db2.gz ZRQXZNHSKWDZTQ-QMTHXVAHSA-N 2 2 302.340 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043915 1091467529 /nfs/dbraw/zinc/46/75/29/1091467529.db2.gz ZRQXZNHSKWDZTQ-QMTHXVAHSA-N 2 2 302.340 3.063 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C[C@H]1[NH3+] ZINC001206075496 1091479753 /nfs/dbraw/zinc/47/97/53/1091479753.db2.gz PCCFOLNNJJOQPX-FOIQADDNSA-N 2 2 309.457 3.199 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C[C@H]1[NH3+] ZINC001206075496 1091479761 /nfs/dbraw/zinc/47/97/61/1091479761.db2.gz PCCFOLNNJJOQPX-FOIQADDNSA-N 2 2 309.457 3.199 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@@H]1F ZINC001206167304 1091515991 /nfs/dbraw/zinc/51/59/91/1091515991.db2.gz YGEAVQOMLPACOR-GJZGRUSLSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@@H]1F ZINC001206167304 1091516013 /nfs/dbraw/zinc/51/60/13/1091516013.db2.gz YGEAVQOMLPACOR-GJZGRUSLSA-N 2 2 307.800 3.149 20 0 DGADLP FC1(F)CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139356200 1091532332 /nfs/dbraw/zinc/53/23/32/1091532332.db2.gz IHAPEHFVHSTOHO-ZBFHGGJFSA-N 2 2 303.356 3.349 20 0 DGADLP FC1(F)CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139356200 1091532342 /nfs/dbraw/zinc/53/23/42/1091532342.db2.gz IHAPEHFVHSTOHO-ZBFHGGJFSA-N 2 2 303.356 3.349 20 0 DGADLP CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139359880 1091534506 /nfs/dbraw/zinc/53/45/06/1091534506.db2.gz LZJNGKMTUCMINH-NZSAHSFTSA-N 2 2 311.429 3.119 20 0 DGADLP CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139359880 1091534517 /nfs/dbraw/zinc/53/45/17/1091534517.db2.gz LZJNGKMTUCMINH-NZSAHSFTSA-N 2 2 311.429 3.119 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206209639 1091535935 /nfs/dbraw/zinc/53/59/35/1091535935.db2.gz HLVIJMQTZRDFEW-QZTJIDSGSA-N 2 2 313.420 3.318 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206209639 1091535947 /nfs/dbraw/zinc/53/59/47/1091535947.db2.gz HLVIJMQTZRDFEW-QZTJIDSGSA-N 2 2 313.420 3.318 20 0 DGADLP Cc1cc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001206262719 1091554814 /nfs/dbraw/zinc/55/48/14/1091554814.db2.gz FPFGNFDZCJCMEK-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001206262719 1091554823 /nfs/dbraw/zinc/55/48/23/1091554823.db2.gz FPFGNFDZCJCMEK-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001206269423 1091558653 /nfs/dbraw/zinc/55/86/53/1091558653.db2.gz MTDKRMHBYMPNNF-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001206269423 1091558666 /nfs/dbraw/zinc/55/86/66/1091558666.db2.gz MTDKRMHBYMPNNF-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)cn2)c1C ZINC001206277601 1091560143 /nfs/dbraw/zinc/56/01/43/1091560143.db2.gz VFUZILXJCCQGAV-HNNXBMFYSA-N 2 2 309.457 3.407 20 0 DGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)cn2)c1C ZINC001206277601 1091560150 /nfs/dbraw/zinc/56/01/50/1091560150.db2.gz VFUZILXJCCQGAV-HNNXBMFYSA-N 2 2 309.457 3.407 20 0 DGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)cn2)c1C ZINC001206277602 1091560362 /nfs/dbraw/zinc/56/03/62/1091560362.db2.gz VFUZILXJCCQGAV-OAHLLOKOSA-N 2 2 309.457 3.407 20 0 DGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)cn2)c1C ZINC001206277602 1091560369 /nfs/dbraw/zinc/56/03/69/1091560369.db2.gz VFUZILXJCCQGAV-OAHLLOKOSA-N 2 2 309.457 3.407 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001206284417 1091562215 /nfs/dbraw/zinc/56/22/15/1091562215.db2.gz DBLGQDACERFXHW-AWEZNQCLSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001206284417 1091562221 /nfs/dbraw/zinc/56/22/21/1091562221.db2.gz DBLGQDACERFXHW-AWEZNQCLSA-N 2 2 315.848 3.443 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001206343454 1091585417 /nfs/dbraw/zinc/58/54/17/1091585417.db2.gz FQPXYYURYDPITP-AWEZNQCLSA-N 2 2 320.330 3.238 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001206343454 1091585424 /nfs/dbraw/zinc/58/54/24/1091585424.db2.gz FQPXYYURYDPITP-AWEZNQCLSA-N 2 2 320.330 3.238 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344692 1091587841 /nfs/dbraw/zinc/58/78/41/1091587841.db2.gz WXAQCAOQGBIYNQ-SFHVURJKSA-N 2 2 316.424 3.038 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344692 1091587844 /nfs/dbraw/zinc/58/78/44/1091587844.db2.gz WXAQCAOQGBIYNQ-SFHVURJKSA-N 2 2 316.424 3.038 20 0 DGADLP CCc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc(CC)c1O ZINC001206361499 1091599232 /nfs/dbraw/zinc/59/92/32/1091599232.db2.gz IHFIRHDMRZKJSR-SFHVURJKSA-N 2 2 308.441 3.170 20 0 DGADLP CCc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc(CC)c1O ZINC001206361499 1091599240 /nfs/dbraw/zinc/59/92/40/1091599240.db2.gz IHFIRHDMRZKJSR-SFHVURJKSA-N 2 2 308.441 3.170 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001206363620 1091600086 /nfs/dbraw/zinc/60/00/86/1091600086.db2.gz YTMRGKPZBVWKJQ-LJQANCHMSA-N 2 2 313.420 3.402 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001206363620 1091600091 /nfs/dbraw/zinc/60/00/91/1091600091.db2.gz YTMRGKPZBVWKJQ-LJQANCHMSA-N 2 2 313.420 3.402 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206363379 1091600184 /nfs/dbraw/zinc/60/01/84/1091600184.db2.gz VTZKBALTWZMYCK-SFHVURJKSA-N 2 2 317.408 3.303 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206363379 1091600191 /nfs/dbraw/zinc/60/01/91/1091600191.db2.gz VTZKBALTWZMYCK-SFHVURJKSA-N 2 2 317.408 3.303 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1F ZINC001206556220 1091668527 /nfs/dbraw/zinc/66/85/27/1091668527.db2.gz OTUAINAJCUVQMU-KRWDZBQOSA-N 2 2 312.404 3.314 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1F ZINC001206556220 1091668534 /nfs/dbraw/zinc/66/85/34/1091668534.db2.gz OTUAINAJCUVQMU-KRWDZBQOSA-N 2 2 312.404 3.314 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2csc(Br)c2)C1 ZINC001206565981 1091670204 /nfs/dbraw/zinc/67/02/04/1091670204.db2.gz XCJWVGUJMFLLPI-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2csc(Br)c2)C1 ZINC001206565981 1091670207 /nfs/dbraw/zinc/67/02/07/1091670207.db2.gz XCJWVGUJMFLLPI-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001206624633 1091693198 /nfs/dbraw/zinc/69/31/98/1091693198.db2.gz XUZLEOLVJUOZNS-ZDUSSCGKSA-N 2 2 318.852 3.291 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001206624633 1091693209 /nfs/dbraw/zinc/69/32/09/1091693209.db2.gz XUZLEOLVJUOZNS-ZDUSSCGKSA-N 2 2 318.852 3.291 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)nc4)C[C@H]3C2)cc1 ZINC001139930852 1091715237 /nfs/dbraw/zinc/71/52/37/1091715237.db2.gz GIQWZDBJUYWBOC-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1C(F)(F)F ZINC001206769361 1091731392 /nfs/dbraw/zinc/73/13/92/1091731392.db2.gz ORYXEAYJQVFXKX-AAEUAGOBSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1C(F)(F)F ZINC001206769361 1091731394 /nfs/dbraw/zinc/73/13/94/1091731394.db2.gz ORYXEAYJQVFXKX-AAEUAGOBSA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(C(F)(F)F)c1 ZINC001206769251 1091732183 /nfs/dbraw/zinc/73/21/83/1091732183.db2.gz NRUCYSMCGLBZLU-NEPJUHHUSA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(C(F)(F)F)c1 ZINC001206769251 1091732186 /nfs/dbraw/zinc/73/21/86/1091732186.db2.gz NRUCYSMCGLBZLU-NEPJUHHUSA-N 2 2 316.367 3.273 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCCC[C@H]3[C@@H](C)C[NH+](C)C)cn2c1 ZINC001206800740 1091746081 /nfs/dbraw/zinc/74/60/81/1091746081.db2.gz MDBHXCLMWUIIAE-WMZOPIPTSA-N 2 2 314.477 3.195 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3[C@@H](C)C[NH+](C)C)cn2c1 ZINC001206800740 1091746083 /nfs/dbraw/zinc/74/60/83/1091746083.db2.gz MDBHXCLMWUIIAE-WMZOPIPTSA-N 2 2 314.477 3.195 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206835854 1091760324 /nfs/dbraw/zinc/76/03/24/1091760324.db2.gz CYIGGKWMHUGDJI-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccc(F)cc2)on1 ZINC001206835854 1091760330 /nfs/dbraw/zinc/76/03/30/1091760330.db2.gz CYIGGKWMHUGDJI-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP CC(C)[N@H+](Cc1cc(C(F)(F)F)ccn1)C1CC[NH+](C)CC1 ZINC001140109753 1091770826 /nfs/dbraw/zinc/77/08/26/1091770826.db2.gz YEHAMRMERZTRGH-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1cc(C(F)(F)F)ccn1)C1CC[NH+](C)CC1 ZINC001140109753 1091770833 /nfs/dbraw/zinc/77/08/33/1091770833.db2.gz YEHAMRMERZTRGH-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCC2)c[nH+]1 ZINC001276512015 1091863590 /nfs/dbraw/zinc/86/35/90/1091863590.db2.gz MLMKCXVYHMBDCN-YQQQUEKLSA-N 3 2 316.493 3.048 20 0 DGADLP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCC2)c[nH+]1 ZINC001276512015 1091863596 /nfs/dbraw/zinc/86/35/96/1091863596.db2.gz MLMKCXVYHMBDCN-YQQQUEKLSA-N 3 2 316.493 3.048 20 0 DGADLP Cc1cncc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207155913 1091867558 /nfs/dbraw/zinc/86/75/58/1091867558.db2.gz GYZOKWVJXHGBRX-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](CCC4CCCCC4)C[C@H]3C2)c1 ZINC001207255928 1091900815 /nfs/dbraw/zinc/90/08/15/1091900815.db2.gz CAJHLHTUBHXAOS-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCCCC4)C[C@H]3C2)c1 ZINC001207255928 1091900824 /nfs/dbraw/zinc/90/08/24/1091900824.db2.gz CAJHLHTUBHXAOS-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)c1 ZINC001207255928 1091900831 /nfs/dbraw/zinc/90/08/31/1091900831.db2.gz CAJHLHTUBHXAOS-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)c1 ZINC001207255928 1091900839 /nfs/dbraw/zinc/90/08/39/1091900839.db2.gz CAJHLHTUBHXAOS-BGYRXZFFSA-N 2 2 313.489 3.416 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001140803762 1092008472 /nfs/dbraw/zinc/00/84/72/1092008472.db2.gz VQJXXLBCZCZCQP-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805620 1092009267 /nfs/dbraw/zinc/00/92/67/1092009267.db2.gz KWKRWBVDTWIXNB-ZDUSSCGKSA-N 2 2 315.417 3.117 20 0 DGADLP CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805620 1092009276 /nfs/dbraw/zinc/00/92/76/1092009276.db2.gz KWKRWBVDTWIXNB-ZDUSSCGKSA-N 2 2 315.417 3.117 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001140802866 1092009380 /nfs/dbraw/zinc/00/93/80/1092009380.db2.gz HIRRBUIJIZPHDH-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP COc1cccc(C[N@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1OC ZINC001140804773 1092009480 /nfs/dbraw/zinc/00/94/80/1092009480.db2.gz DQKCNMAJNFPMCD-UHFFFAOYSA-N 2 2 311.385 3.212 20 0 DGADLP COc1cccc(C[N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)c1OC ZINC001140804773 1092009490 /nfs/dbraw/zinc/00/94/90/1092009490.db2.gz DQKCNMAJNFPMCD-UHFFFAOYSA-N 2 2 311.385 3.212 20 0 DGADLP Cc1cccc(OC2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)n1 ZINC001140806736 1092010280 /nfs/dbraw/zinc/01/02/80/1092010280.db2.gz PPJXWPHYHGRSFG-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP Cc1cccnc1OC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806982 1092014088 /nfs/dbraw/zinc/01/40/88/1092014088.db2.gz YJAAMQCFSVSJHA-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP COc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1N ZINC001140902527 1092056668 /nfs/dbraw/zinc/05/66/68/1092056668.db2.gz CIPNHMHJSBBLKX-UHFFFAOYSA-N 2 2 317.477 3.116 20 0 DGADLP COc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1N ZINC001140902527 1092056676 /nfs/dbraw/zinc/05/66/76/1092056676.db2.gz CIPNHMHJSBBLKX-UHFFFAOYSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n[nH]1 ZINC001203077023 1092057614 /nfs/dbraw/zinc/05/76/14/1092057614.db2.gz OEQBYXTXTPTCTB-UHFFFAOYSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n[nH]1 ZINC001203077023 1092057623 /nfs/dbraw/zinc/05/76/23/1092057623.db2.gz OEQBYXTXTPTCTB-UHFFFAOYSA-N 2 2 324.472 3.206 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnccc2C(F)(F)F)CC1 ZINC001140917978 1092061702 /nfs/dbraw/zinc/06/17/02/1092061702.db2.gz CYPYZGXNRZGENT-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnccc2C(F)(F)F)CC1 ZINC001140917978 1092061711 /nfs/dbraw/zinc/06/17/11/1092061711.db2.gz CYPYZGXNRZGENT-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC(C)[N@H+](Cc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001140922778 1092065054 /nfs/dbraw/zinc/06/50/54/1092065054.db2.gz DGAXRZYBXSHPKW-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001140922778 1092065060 /nfs/dbraw/zinc/06/50/60/1092065060.db2.gz DGAXRZYBXSHPKW-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(=O)Nc1c(C)cc[nH+]c1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161209015 1092100308 /nfs/dbraw/zinc/10/03/08/1092100308.db2.gz UPVXJFXXKFETJJ-UHFFFAOYSA-N 2 2 318.465 3.271 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1Br ZINC001141092718 1092135143 /nfs/dbraw/zinc/13/51/43/1092135143.db2.gz CCRBDKKNXCVYHU-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1Br ZINC001141092718 1092135147 /nfs/dbraw/zinc/13/51/47/1092135147.db2.gz CCRBDKKNXCVYHU-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1Br ZINC001141092718 1092135154 /nfs/dbraw/zinc/13/51/54/1092135154.db2.gz CCRBDKKNXCVYHU-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1Br ZINC001141092718 1092135158 /nfs/dbraw/zinc/13/51/58/1092135158.db2.gz CCRBDKKNXCVYHU-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccncc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001141033592 1092112841 /nfs/dbraw/zinc/11/28/41/1092112841.db2.gz XDGLONCUHDESMZ-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP CCCCCC[NH+]1CCN(Cc2ccn3cc[nH+]c3c2)CC1 ZINC001141044733 1092118968 /nfs/dbraw/zinc/11/89/68/1092118968.db2.gz VRPBGUDTJSQCCS-UHFFFAOYSA-N 2 2 300.450 3.032 20 0 DGADLP Cc1ccncc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048413 1092119479 /nfs/dbraw/zinc/11/94/79/1092119479.db2.gz NNAQBWOAEXXBLP-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048413 1092119483 /nfs/dbraw/zinc/11/94/83/1092119483.db2.gz NNAQBWOAEXXBLP-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048413 1092119487 /nfs/dbraw/zinc/11/94/87/1092119487.db2.gz NNAQBWOAEXXBLP-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048413 1092119490 /nfs/dbraw/zinc/11/94/90/1092119490.db2.gz NNAQBWOAEXXBLP-CTNGQTDRSA-N 2 2 321.468 3.344 20 0 DGADLP CCCCc1[nH]c(CN2CCC(C)([NH+]3CCCC3)CC2)c[nH+]1 ZINC001141072962 1092128005 /nfs/dbraw/zinc/12/80/05/1092128005.db2.gz BQANHTLRPKTIGC-UHFFFAOYSA-N 2 2 304.482 3.203 20 0 DGADLP C[N@H+](Cc1cnc2ccccn12)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141237876 1092190840 /nfs/dbraw/zinc/19/08/40/1092190840.db2.gz DCYWOZSCGSZJOB-UHFFFAOYSA-N 2 2 317.396 3.152 20 0 DGADLP C[N@@H+](Cc1cnc2ccccn12)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141237876 1092190847 /nfs/dbraw/zinc/19/08/47/1092190847.db2.gz DCYWOZSCGSZJOB-UHFFFAOYSA-N 2 2 317.396 3.152 20 0 DGADLP C[NH+](C)CC1(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCCC1 ZINC001208186945 1092247395 /nfs/dbraw/zinc/24/73/95/1092247395.db2.gz BSWIWBPCLURUHB-UHFFFAOYSA-N 3 2 307.526 3.059 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)cc(O)cc3Cl)C[C@@H]2C1 ZINC001142109276 1092411519 /nfs/dbraw/zinc/41/15/19/1092411519.db2.gz KRCHLQFWSKSRSC-MNOVXSKESA-N 2 2 315.244 3.083 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)cc(O)cc3Cl)C[C@@H]2C1 ZINC001142109276 1092411551 /nfs/dbraw/zinc/41/15/51/1092411551.db2.gz KRCHLQFWSKSRSC-MNOVXSKESA-N 2 2 315.244 3.083 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)C2 ZINC001169094956 1092523215 /nfs/dbraw/zinc/52/32/15/1092523215.db2.gz NZHJCNIEOOONFY-YSTOQKLRSA-N 2 2 307.441 3.386 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)C2 ZINC001169094956 1092523230 /nfs/dbraw/zinc/52/32/30/1092523230.db2.gz NZHJCNIEOOONFY-YSTOQKLRSA-N 2 2 307.441 3.386 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)C2 ZINC001169094955 1092523257 /nfs/dbraw/zinc/52/32/57/1092523257.db2.gz NZHJCNIEOOONFY-YRPNKDGESA-N 2 2 307.441 3.386 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)C2 ZINC001169094955 1092523266 /nfs/dbraw/zinc/52/32/66/1092523266.db2.gz NZHJCNIEOOONFY-YRPNKDGESA-N 2 2 307.441 3.386 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(F)cc1Cl)C2 ZINC001169099958 1092529735 /nfs/dbraw/zinc/52/97/35/1092529735.db2.gz XNYQFOMIHATCNM-CNDDSTCGSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(F)cc1Cl)C2 ZINC001169099958 1092529748 /nfs/dbraw/zinc/52/97/48/1092529748.db2.gz XNYQFOMIHATCNM-CNDDSTCGSA-N 2 2 300.780 3.333 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3[nH]cnc32)C2CCCC2)CC1 ZINC001142696035 1092534916 /nfs/dbraw/zinc/53/49/16/1092534916.db2.gz FZRDOQZETKGQFU-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3[nH]cnc32)C2CCCC2)CC1 ZINC001142696035 1092534928 /nfs/dbraw/zinc/53/49/28/1092534928.db2.gz FZRDOQZETKGQFU-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC001169089615 1092537377 /nfs/dbraw/zinc/53/73/77/1092537377.db2.gz DQHVMMKXRIAFPK-ZSOGYDGISA-N 2 2 309.251 3.164 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC001169089615 1092537387 /nfs/dbraw/zinc/53/73/87/1092537387.db2.gz DQHVMMKXRIAFPK-ZSOGYDGISA-N 2 2 309.251 3.164 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118539 1092543223 /nfs/dbraw/zinc/54/32/23/1092543223.db2.gz JVGDHQZEXNNHAM-OQMKEHIESA-N 2 2 308.372 3.003 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118539 1092543231 /nfs/dbraw/zinc/54/32/31/1092543231.db2.gz JVGDHQZEXNNHAM-OQMKEHIESA-N 2 2 308.372 3.003 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001169122860 1092544257 /nfs/dbraw/zinc/54/42/57/1092544257.db2.gz FMGVVKVTWRJASR-BTTYYORXSA-N 2 2 315.392 3.196 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3F)no1)C2 ZINC001169122860 1092544266 /nfs/dbraw/zinc/54/42/66/1092544266.db2.gz FMGVVKVTWRJASR-BTTYYORXSA-N 2 2 315.392 3.196 20 0 DGADLP CC(=O)C1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938357 1092601202 /nfs/dbraw/zinc/60/12/02/1092601202.db2.gz BBIFKIFYJYDMDB-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)C1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938357 1092601205 /nfs/dbraw/zinc/60/12/05/1092601205.db2.gz BBIFKIFYJYDMDB-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC001169226178 1092602114 /nfs/dbraw/zinc/60/21/14/1092602114.db2.gz RKEMIJOYSGENDB-HNNXBMFYSA-N 2 2 323.481 3.278 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC001169226178 1092602121 /nfs/dbraw/zinc/60/21/21/1092602121.db2.gz RKEMIJOYSGENDB-HNNXBMFYSA-N 2 2 323.481 3.278 20 0 DGADLP C[C@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208940516 1092602335 /nfs/dbraw/zinc/60/23/35/1092602335.db2.gz STNOTZZZLFRDNX-LNLFQRSKSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208940516 1092602340 /nfs/dbraw/zinc/60/23/40/1092602340.db2.gz STNOTZZZLFRDNX-LNLFQRSKSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@]1(F)CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943270 1092603720 /nfs/dbraw/zinc/60/37/20/1092603720.db2.gz TYILOYBKSADEBP-KURKYZTESA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943270 1092603725 /nfs/dbraw/zinc/60/37/25/1092603725.db2.gz TYILOYBKSADEBP-KURKYZTESA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943270 1092603730 /nfs/dbraw/zinc/60/37/30/1092603730.db2.gz TYILOYBKSADEBP-KURKYZTESA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943270 1092603734 /nfs/dbraw/zinc/60/37/34/1092603734.db2.gz TYILOYBKSADEBP-KURKYZTESA-N 2 2 308.416 3.281 20 0 DGADLP Oc1cccc2c1CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948103 1092606252 /nfs/dbraw/zinc/60/62/52/1092606252.db2.gz NPQGYIJXAYHKJI-SFHVURJKSA-N 2 2 322.452 3.272 20 0 DGADLP Oc1cccc2c1CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208948103 1092606254 /nfs/dbraw/zinc/60/62/54/1092606254.db2.gz NPQGYIJXAYHKJI-SFHVURJKSA-N 2 2 322.452 3.272 20 0 DGADLP Oc1cccc2c1CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208948103 1092606256 /nfs/dbraw/zinc/60/62/56/1092606256.db2.gz NPQGYIJXAYHKJI-SFHVURJKSA-N 2 2 322.452 3.272 20 0 DGADLP Oc1cccc2c1CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208948103 1092606261 /nfs/dbraw/zinc/60/62/61/1092606261.db2.gz NPQGYIJXAYHKJI-SFHVURJKSA-N 2 2 322.452 3.272 20 0 DGADLP F[C@H]1CSC2(C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953003 1092608486 /nfs/dbraw/zinc/60/84/86/1092608486.db2.gz NXVLPJMWCVHPIL-DLBZAZTESA-N 2 2 320.477 3.038 20 0 DGADLP F[C@H]1CSC2(C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953003 1092608492 /nfs/dbraw/zinc/60/84/92/1092608492.db2.gz NXVLPJMWCVHPIL-DLBZAZTESA-N 2 2 320.477 3.038 20 0 DGADLP CCC[NH+](CCC[NH+](C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208956254 1092611405 /nfs/dbraw/zinc/61/14/05/1092611405.db2.gz GQUYMTMVTOOAFG-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP CCC[NH+](CCC[NH+](C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208956254 1092611407 /nfs/dbraw/zinc/61/14/07/1092611407.db2.gz GQUYMTMVTOOAFG-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3n[nH]cc32)C2CCCC2)CC1 ZINC001143101967 1092615345 /nfs/dbraw/zinc/61/53/45/1092615345.db2.gz RDMDFRGTVYLUNB-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3n[nH]cc32)C2CCCC2)CC1 ZINC001143101967 1092615347 /nfs/dbraw/zinc/61/53/47/1092615347.db2.gz RDMDFRGTVYLUNB-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209123350 1092661717 /nfs/dbraw/zinc/66/17/17/1092661717.db2.gz WCWFBEIFAVVIGD-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209123350 1092661721 /nfs/dbraw/zinc/66/17/21/1092661721.db2.gz WCWFBEIFAVVIGD-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP CC(=O)OC(C)(C)CCC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209159882 1092676661 /nfs/dbraw/zinc/67/66/61/1092676661.db2.gz SANUBQOXHHRMKF-UHFFFAOYSA-N 2 2 324.509 3.447 20 0 DGADLP CC(=O)OC(C)(C)CCC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209159882 1092676663 /nfs/dbraw/zinc/67/66/63/1092676663.db2.gz SANUBQOXHHRMKF-UHFFFAOYSA-N 2 2 324.509 3.447 20 0 DGADLP COCCCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001209219940 1092698203 /nfs/dbraw/zinc/69/82/03/1092698203.db2.gz SIIHREOIVLKKAK-UHFFFAOYSA-N 2 2 308.441 3.149 20 0 DGADLP COCCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001209219940 1092698208 /nfs/dbraw/zinc/69/82/08/1092698208.db2.gz SIIHREOIVLKKAK-UHFFFAOYSA-N 2 2 308.441 3.149 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281784 1092722937 /nfs/dbraw/zinc/72/29/37/1092722937.db2.gz HSQOEICGRYQBMF-MRXNPFEDSA-N 2 2 312.379 3.276 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281784 1092722940 /nfs/dbraw/zinc/72/29/40/1092722940.db2.gz HSQOEICGRYQBMF-MRXNPFEDSA-N 2 2 312.379 3.276 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281784 1092722949 /nfs/dbraw/zinc/72/29/49/1092722949.db2.gz HSQOEICGRYQBMF-MRXNPFEDSA-N 2 2 312.379 3.276 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209281784 1092722956 /nfs/dbraw/zinc/72/29/56/1092722956.db2.gz HSQOEICGRYQBMF-MRXNPFEDSA-N 2 2 312.379 3.276 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001209324289 1092736645 /nfs/dbraw/zinc/73/66/45/1092736645.db2.gz ZOWYOVXTESPCGS-LJQANCHMSA-N 2 2 308.425 3.258 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001209324289 1092736654 /nfs/dbraw/zinc/73/66/54/1092736654.db2.gz ZOWYOVXTESPCGS-LJQANCHMSA-N 2 2 308.425 3.258 20 0 DGADLP CCOc1ncc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1C ZINC001276638641 1092747495 /nfs/dbraw/zinc/74/74/95/1092747495.db2.gz BFMUKCFQVAXUMX-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ncc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1C ZINC001276638641 1092747500 /nfs/dbraw/zinc/74/75/00/1092747500.db2.gz BFMUKCFQVAXUMX-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ncc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1C ZINC001276638641 1092747508 /nfs/dbraw/zinc/74/75/08/1092747508.db2.gz BFMUKCFQVAXUMX-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ncc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1C ZINC001276638641 1092747515 /nfs/dbraw/zinc/74/75/15/1092747515.db2.gz BFMUKCFQVAXUMX-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209400825 1092758389 /nfs/dbraw/zinc/75/83/89/1092758389.db2.gz CHKBHLSQHDSNJC-YYIAUSFCSA-N 2 2 304.434 3.047 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209400825 1092758395 /nfs/dbraw/zinc/75/83/95/1092758395.db2.gz CHKBHLSQHDSNJC-YYIAUSFCSA-N 2 2 304.434 3.047 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@@H]2C1 ZINC001209727977 1092895902 /nfs/dbraw/zinc/89/59/02/1092895902.db2.gz PBIQPYJVJHHWJG-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@@H]2C1 ZINC001209727977 1092895912 /nfs/dbraw/zinc/89/59/12/1092895912.db2.gz PBIQPYJVJHHWJG-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@@H]2C1 ZINC001209727977 1092895920 /nfs/dbraw/zinc/89/59/20/1092895920.db2.gz PBIQPYJVJHHWJG-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@@H]2C1 ZINC001209727977 1092895923 /nfs/dbraw/zinc/89/59/23/1092895923.db2.gz PBIQPYJVJHHWJG-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CN(C)c1ccccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209779053 1092918168 /nfs/dbraw/zinc/91/81/68/1092918168.db2.gz UDJZFNPINNIGGB-UHFFFAOYSA-N 2 2 319.468 3.151 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnccn3)C[C@@H]21 ZINC001209781596 1092920934 /nfs/dbraw/zinc/92/09/34/1092920934.db2.gz RBWCMTAZMYEYLQ-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnccn3)C[C@@H]21 ZINC001209781596 1092920943 /nfs/dbraw/zinc/92/09/43/1092920943.db2.gz RBWCMTAZMYEYLQ-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cnccn3)C[C@@H]21 ZINC001209781596 1092920952 /nfs/dbraw/zinc/92/09/52/1092920952.db2.gz RBWCMTAZMYEYLQ-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cnccn3)C[C@@H]21 ZINC001209781596 1092920960 /nfs/dbraw/zinc/92/09/60/1092920960.db2.gz RBWCMTAZMYEYLQ-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1cccc(F)c1 ZINC001119780109 1094288071 /nfs/dbraw/zinc/28/80/71/1094288071.db2.gz FJLFAORDRYWOJL-WAYWQWQTSA-N 2 2 322.343 3.367 20 0 DGADLP [NH3+]Cc1ccccc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001217060570 1094300164 /nfs/dbraw/zinc/30/01/64/1094300164.db2.gz JSHYDNIYPMQNPO-UHFFFAOYSA-N 2 2 317.352 3.048 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001119976603 1094330172 /nfs/dbraw/zinc/33/01/72/1094330172.db2.gz FZMAXIHMJUCAKZ-UHFFFAOYSA-N 2 2 313.449 3.179 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001120065765 1094369203 /nfs/dbraw/zinc/36/92/03/1094369203.db2.gz STOVYQVTZPSCHD-DOMZBBRYSA-N 2 2 324.266 3.131 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC001170795529 1094411981 /nfs/dbraw/zinc/41/19/81/1094411981.db2.gz DVGYVBFFHYTNKD-GOSISDBHSA-N 2 2 320.452 3.257 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC001170797480 1094419399 /nfs/dbraw/zinc/41/93/99/1094419399.db2.gz VMVPSTGBFRQGDU-QGZVFWFLSA-N 2 2 320.452 3.257 20 0 DGADLP C[N@@H+]1C[C@@]23CN(c4[nH+]ccc5c(N)cccc54)C[C@]2(C1)CCCC3 ZINC001336802706 1094743711 /nfs/dbraw/zinc/74/37/11/1094743711.db2.gz FIYUSNRTJMNPBI-BGYRXZFFSA-N 2 2 322.456 3.129 20 0 DGADLP C[N@H+]1C[C@@]23CN(c4[nH+]ccc5c(N)cccc54)C[C@]2(C1)CCCC3 ZINC001336802706 1094743724 /nfs/dbraw/zinc/74/37/24/1094743724.db2.gz FIYUSNRTJMNPBI-BGYRXZFFSA-N 2 2 322.456 3.129 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218808621 1094871131 /nfs/dbraw/zinc/87/11/31/1094871131.db2.gz HPDUNCFGGWJUSR-ACJLOTCBSA-N 2 2 311.429 3.411 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001170911571 1094916894 /nfs/dbraw/zinc/91/68/94/1094916894.db2.gz YKIDSXFTJXAEBO-HOTGVXAUSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001170911571 1094916908 /nfs/dbraw/zinc/91/69/08/1094916908.db2.gz YKIDSXFTJXAEBO-HOTGVXAUSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001170917479 1094921933 /nfs/dbraw/zinc/92/19/33/1094921933.db2.gz RWNXMLFSWMXSSW-AWEZNQCLSA-N 2 2 302.805 3.261 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945762 1094990019 /nfs/dbraw/zinc/99/00/19/1094990019.db2.gz XTSPDXACXMQBTN-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945762 1094990028 /nfs/dbraw/zinc/99/00/28/1094990028.db2.gz XTSPDXACXMQBTN-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945762 1094990038 /nfs/dbraw/zinc/99/00/38/1094990038.db2.gz XTSPDXACXMQBTN-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@H]21 ZINC001170945762 1094990050 /nfs/dbraw/zinc/99/00/50/1094990050.db2.gz XTSPDXACXMQBTN-RVKKMQEKSA-N 2 2 304.865 3.223 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806278 1094993412 /nfs/dbraw/zinc/99/34/12/1094993412.db2.gz XZLYBLCMXUNMNY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806278 1094993419 /nfs/dbraw/zinc/99/34/19/1094993419.db2.gz XZLYBLCMXUNMNY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806278 1094993424 /nfs/dbraw/zinc/99/34/24/1094993424.db2.gz XZLYBLCMXUNMNY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806278 1094993430 /nfs/dbraw/zinc/99/34/30/1094993430.db2.gz XZLYBLCMXUNMNY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170956274 1095016317 /nfs/dbraw/zinc/01/63/17/1095016317.db2.gz VFMPCBQBOLEXMP-WBVHZDCISA-N 2 2 304.453 3.393 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000315130184 1095088168 /nfs/dbraw/zinc/08/81/68/1095088168.db2.gz MCFRDDTTZPVIBK-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000315130184 1095088183 /nfs/dbraw/zinc/08/81/83/1095088183.db2.gz MCFRDDTTZPVIBK-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP Clc1cccc2c1CC[C@@H]([NH2+]CCOc1cc[nH+]cc1)C2 ZINC001171033970 1095167499 /nfs/dbraw/zinc/16/74/99/1095167499.db2.gz RYSSWQDJLZDSPY-CQSZACIVSA-N 2 2 302.805 3.261 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316844978 1095194938 /nfs/dbraw/zinc/19/49/38/1095194938.db2.gz IIIRNALTUZBSHO-KFKAGJAMSA-N 2 2 302.462 3.153 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316844978 1095194944 /nfs/dbraw/zinc/19/49/44/1095194944.db2.gz IIIRNALTUZBSHO-KFKAGJAMSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919294 1095201643 /nfs/dbraw/zinc/20/16/43/1095201643.db2.gz CYXJLTXJVFXHNJ-NUEKZKHPSA-N 2 2 320.502 3.141 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919294 1095201653 /nfs/dbraw/zinc/20/16/53/1095201653.db2.gz CYXJLTXJVFXHNJ-NUEKZKHPSA-N 2 2 320.502 3.141 20 0 DGADLP [NH3+]CCc1[nH+]ccn1[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171065552 1095242835 /nfs/dbraw/zinc/24/28/35/1095242835.db2.gz XVTULVDTKGKDOB-LBPRGKRZSA-N 2 2 310.228 3.421 20 0 DGADLP c1nc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc2[nH]1 ZINC001137042701 1095304189 /nfs/dbraw/zinc/30/41/89/1095304189.db2.gz QEGYIKGGTLDAHY-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1nc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc2[nH]1 ZINC001137042701 1095304205 /nfs/dbraw/zinc/30/42/05/1095304205.db2.gz QEGYIKGGTLDAHY-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1nc2ccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)cc2[nH]1 ZINC001137042701 1095304221 /nfs/dbraw/zinc/30/42/21/1095304221.db2.gz QEGYIKGGTLDAHY-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1nc2ccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc2[nH]1 ZINC001137042701 1095304233 /nfs/dbraw/zinc/30/42/33/1095304233.db2.gz QEGYIKGGTLDAHY-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C=C(C1CC1)C1CC1 ZINC001116070804 1095450681 /nfs/dbraw/zinc/45/06/81/1095450681.db2.gz DRXFXMVSNPVPAI-UHFFFAOYSA-N 2 2 308.385 3.261 20 0 DGADLP c1cn(CCO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001222138292 1095451261 /nfs/dbraw/zinc/45/12/61/1095451261.db2.gz DMHKYRAYVSJYFN-BWTSREIZSA-N 2 2 311.429 3.095 20 0 DGADLP c1cn(CCO[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001222138292 1095451266 /nfs/dbraw/zinc/45/12/66/1095451266.db2.gz DMHKYRAYVSJYFN-BWTSREIZSA-N 2 2 311.429 3.095 20 0 DGADLP CCOc1ccncc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161999 1095469466 /nfs/dbraw/zinc/46/94/66/1095469466.db2.gz VMWHFIIMNIYYPW-LJQANCHMSA-N 2 2 317.477 3.226 20 0 DGADLP CCOc1ccncc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161999 1095469469 /nfs/dbraw/zinc/46/94/69/1095469469.db2.gz VMWHFIIMNIYYPW-LJQANCHMSA-N 2 2 317.477 3.226 20 0 DGADLP Oc1cccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001222168222 1095475953 /nfs/dbraw/zinc/47/59/53/1095475953.db2.gz YDGVCOVHTHSEEE-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001222168222 1095475958 /nfs/dbraw/zinc/47/59/58/1095475958.db2.gz YDGVCOVHTHSEEE-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP Clc1ccc2c(c1)C1(CN2)CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC001222173338 1095479171 /nfs/dbraw/zinc/47/91/71/1095479171.db2.gz TXLWNLRELWNROX-HNNXBMFYSA-N 2 2 319.880 3.241 20 0 DGADLP CCOc1c(F)cc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1F ZINC001144028291 1095481920 /nfs/dbraw/zinc/48/19/20/1095481920.db2.gz YWAUHJOIPLULSB-UHFFFAOYSA-N 2 2 312.404 3.280 20 0 DGADLP CCOc1c(F)cc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1F ZINC001144028291 1095481924 /nfs/dbraw/zinc/48/19/24/1095481924.db2.gz YWAUHJOIPLULSB-UHFFFAOYSA-N 2 2 312.404 3.280 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222190492 1095484455 /nfs/dbraw/zinc/48/44/55/1095484455.db2.gz CJFGVTSTLINVFZ-GOSISDBHSA-N 2 2 310.482 3.108 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222190492 1095484460 /nfs/dbraw/zinc/48/44/60/1095484460.db2.gz CJFGVTSTLINVFZ-GOSISDBHSA-N 2 2 310.482 3.108 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222264905 1095519936 /nfs/dbraw/zinc/51/99/36/1095519936.db2.gz KVQAOLUCVVNNIE-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222264905 1095519943 /nfs/dbraw/zinc/51/99/43/1095519943.db2.gz KVQAOLUCVVNNIE-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265816 1095521365 /nfs/dbraw/zinc/52/13/65/1095521365.db2.gz ZTXFGRWWEGZZTO-HXUWFJFHSA-N 3 2 324.472 3.146 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265816 1095521375 /nfs/dbraw/zinc/52/13/75/1095521375.db2.gz ZTXFGRWWEGZZTO-HXUWFJFHSA-N 3 2 324.472 3.146 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc(-c2ccncc2)c1 ZINC001222344635 1095564530 /nfs/dbraw/zinc/56/45/30/1095564530.db2.gz BBGDMWQFCIPFNY-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc(-c2ccncc2)c1 ZINC001222344635 1095564539 /nfs/dbraw/zinc/56/45/39/1095564539.db2.gz BBGDMWQFCIPFNY-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccn4cc[nH+]c34)c2c1 ZINC001171163966 1095616214 /nfs/dbraw/zinc/61/62/14/1095616214.db2.gz FFSSYVDRERZBLP-CQSZACIVSA-N 2 2 304.397 3.476 20 0 DGADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccn4cc[nH+]c4c3)c2c1 ZINC001171167966 1095621900 /nfs/dbraw/zinc/62/19/00/1095621900.db2.gz SGNSBBBTRRJGNX-AWEZNQCLSA-N 2 2 304.397 3.476 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222471648 1095632133 /nfs/dbraw/zinc/63/21/33/1095632133.db2.gz UGAKLQFZCCYABP-FQEVSTJZSA-N 2 2 309.457 3.234 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222471648 1095632138 /nfs/dbraw/zinc/63/21/38/1095632138.db2.gz UGAKLQFZCCYABP-FQEVSTJZSA-N 2 2 309.457 3.234 20 0 DGADLP CC(C)Oc1cc(F)c(C[NH+]2CCC(F)(C[NH3+])CC2)c(F)c1 ZINC001222552955 1095663692 /nfs/dbraw/zinc/66/36/92/1095663692.db2.gz LWJYKSIPDXLMCS-UHFFFAOYSA-N 2 2 316.367 3.015 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4scnc4c3)C[C@H]2C1 ZINC001144743823 1095805124 /nfs/dbraw/zinc/80/51/24/1095805124.db2.gz BLBPBRYQZKYMLV-HUUCEWRRSA-N 2 2 301.459 3.070 20 0 DGADLP CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001340055815 1095840423 /nfs/dbraw/zinc/84/04/23/1095840423.db2.gz DQSOVEBTROTKRM-BZNIZROVSA-N 2 2 314.433 3.396 20 0 DGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001171259615 1095955817 /nfs/dbraw/zinc/95/58/17/1095955817.db2.gz XTEKVYYKEXXEIC-ZWKOTPCHSA-N 2 2 302.462 3.371 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001118349756 1095985407 /nfs/dbraw/zinc/98/54/07/1095985407.db2.gz FFTYZZXTINTIHL-UHFFFAOYSA-N 2 2 323.375 3.456 20 0 DGADLP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712993 1096092985 /nfs/dbraw/zinc/09/29/85/1096092985.db2.gz GNAUCBKBLRXAIK-SJORKVTESA-N 2 2 322.497 3.117 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC001171289707 1096124942 /nfs/dbraw/zinc/12/49/42/1096124942.db2.gz SGMNPHVCCXDNNP-ZIAGYGMSSA-N 2 2 322.880 3.278 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC001171289707 1096124948 /nfs/dbraw/zinc/12/49/48/1096124948.db2.gz SGMNPHVCCXDNNP-ZIAGYGMSSA-N 2 2 322.880 3.278 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H](n1c[nH+]c(C)c1CC[NH3+])CC2 ZINC001171291243 1096132577 /nfs/dbraw/zinc/13/25/77/1096132577.db2.gz DSFDYOHGXBEHGY-LBPRGKRZSA-N 2 2 319.836 3.085 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495507 1096900527 /nfs/dbraw/zinc/90/05/27/1096900527.db2.gz JGTRZWHPVPDJFS-KRWDZBQOSA-N 2 2 320.427 3.381 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495507 1096900531 /nfs/dbraw/zinc/90/05/31/1096900531.db2.gz JGTRZWHPVPDJFS-KRWDZBQOSA-N 2 2 320.427 3.381 20 0 DGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506441 1096913479 /nfs/dbraw/zinc/91/34/79/1096913479.db2.gz XPVIWKRSDVTCBB-OLZOCXBDSA-N 2 2 312.379 3.034 20 0 DGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506441 1096913486 /nfs/dbraw/zinc/91/34/86/1096913486.db2.gz XPVIWKRSDVTCBB-OLZOCXBDSA-N 2 2 312.379 3.034 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506442 1096913650 /nfs/dbraw/zinc/91/36/50/1096913650.db2.gz XPVIWKRSDVTCBB-QWHCGFSZSA-N 2 2 312.379 3.034 20 0 DGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506442 1096913654 /nfs/dbraw/zinc/91/36/54/1096913654.db2.gz XPVIWKRSDVTCBB-QWHCGFSZSA-N 2 2 312.379 3.034 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001171563004 1096924514 /nfs/dbraw/zinc/92/45/14/1096924514.db2.gz BSHQKNLXQUFJIY-PMACEKPBSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001171563004 1096924517 /nfs/dbraw/zinc/92/45/17/1096924517.db2.gz BSHQKNLXQUFJIY-PMACEKPBSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)c(C)[nH+]1 ZINC001171860868 1096992927 /nfs/dbraw/zinc/99/29/27/1096992927.db2.gz VNSDGFFVWXKOCM-AWEZNQCLSA-N 2 2 305.466 3.293 20 0 DGADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1Cc1ccccc1 ZINC001171975455 1097023627 /nfs/dbraw/zinc/02/36/27/1097023627.db2.gz CZEZYVINYPBSRM-QRVBRYPASA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1Cc1ccccc1 ZINC001171975455 1097023630 /nfs/dbraw/zinc/02/36/30/1097023630.db2.gz CZEZYVINYPBSRM-QRVBRYPASA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1Cc1ccccc1 ZINC001171975455 1097023634 /nfs/dbraw/zinc/02/36/34/1097023634.db2.gz CZEZYVINYPBSRM-QRVBRYPASA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1Cc1ccccc1 ZINC001171975455 1097023639 /nfs/dbraw/zinc/02/36/39/1097023639.db2.gz CZEZYVINYPBSRM-QRVBRYPASA-N 2 2 314.473 3.293 20 0 DGADLP CCN(C1C[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986824 1097029295 /nfs/dbraw/zinc/02/92/95/1097029295.db2.gz MRTPXIIQCSGWEH-SFHVURJKSA-N 2 2 315.505 3.066 20 0 DGADLP CCN(C1C[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986824 1097029301 /nfs/dbraw/zinc/02/93/01/1097029301.db2.gz MRTPXIIQCSGWEH-SFHVURJKSA-N 2 2 315.505 3.066 20 0 DGADLP CC[N@H+](C1CN(C)C1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986824 1097029305 /nfs/dbraw/zinc/02/93/05/1097029305.db2.gz MRTPXIIQCSGWEH-SFHVURJKSA-N 2 2 315.505 3.066 20 0 DGADLP CC[N@@H+](C1CN(C)C1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986824 1097029311 /nfs/dbraw/zinc/02/93/11/1097029311.db2.gz MRTPXIIQCSGWEH-SFHVURJKSA-N 2 2 315.505 3.066 20 0 DGADLP CC[NH+](C1CN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986824 1097029317 /nfs/dbraw/zinc/02/93/17/1097029317.db2.gz MRTPXIIQCSGWEH-SFHVURJKSA-N 2 2 315.505 3.066 20 0 DGADLP CC[NH+](C1CN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986824 1097029322 /nfs/dbraw/zinc/02/93/22/1097029322.db2.gz MRTPXIIQCSGWEH-SFHVURJKSA-N 2 2 315.505 3.066 20 0 DGADLP Cc1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984957 1097030163 /nfs/dbraw/zinc/03/01/63/1097030163.db2.gz ZFLPJGSPFLRQMD-GOSISDBHSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984957 1097030167 /nfs/dbraw/zinc/03/01/67/1097030167.db2.gz ZFLPJGSPFLRQMD-GOSISDBHSA-N 2 2 324.472 3.318 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)C2 ZINC001172116281 1097061399 /nfs/dbraw/zinc/06/13/99/1097061399.db2.gz GPNAAKNDFJZPBX-OWZKRDHZSA-N 2 2 324.472 3.036 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)C2 ZINC001172116281 1097061406 /nfs/dbraw/zinc/06/14/06/1097061406.db2.gz GPNAAKNDFJZPBX-OWZKRDHZSA-N 2 2 324.472 3.036 20 0 DGADLP Cc1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172115081 1097062606 /nfs/dbraw/zinc/06/26/06/1097062606.db2.gz UGWGBGRSAGNCCN-BWTSREIZSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172115081 1097062613 /nfs/dbraw/zinc/06/26/13/1097062613.db2.gz UGWGBGRSAGNCCN-BWTSREIZSA-N 2 2 313.489 3.132 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119341 1097065022 /nfs/dbraw/zinc/06/50/22/1097065022.db2.gz YRVZPFMAMMAINL-HGTKMLMNSA-N 2 2 322.399 3.393 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3cc(F)cc(F)c31)C2 ZINC001172119341 1097065028 /nfs/dbraw/zinc/06/50/28/1097065028.db2.gz YRVZPFMAMMAINL-HGTKMLMNSA-N 2 2 322.399 3.393 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172208219 1097077395 /nfs/dbraw/zinc/07/73/95/1097077395.db2.gz HQXCXNMEFAILHP-KRWDZBQOSA-N 2 2 302.487 3.262 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172208219 1097077401 /nfs/dbraw/zinc/07/74/01/1097077401.db2.gz HQXCXNMEFAILHP-KRWDZBQOSA-N 2 2 302.487 3.262 20 0 DGADLP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CS2 ZINC001172197369 1097084550 /nfs/dbraw/zinc/08/45/50/1097084550.db2.gz KEHUBTITPRODMI-CVEARBPZSA-N 2 2 302.487 3.310 20 0 DGADLP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CS2 ZINC001172197369 1097084553 /nfs/dbraw/zinc/08/45/53/1097084553.db2.gz KEHUBTITPRODMI-CVEARBPZSA-N 2 2 302.487 3.310 20 0 DGADLP c1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC000096090724 1097094141 /nfs/dbraw/zinc/09/41/41/1097094141.db2.gz VWLIYETXQVLKLT-RTWAWAEBSA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC000096090724 1097094149 /nfs/dbraw/zinc/09/41/49/1097094149.db2.gz VWLIYETXQVLKLT-RTWAWAEBSA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC000096090724 1097094152 /nfs/dbraw/zinc/09/41/52/1097094152.db2.gz VWLIYETXQVLKLT-RTWAWAEBSA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC000096090724 1097094159 /nfs/dbraw/zinc/09/41/59/1097094159.db2.gz VWLIYETXQVLKLT-RTWAWAEBSA-N 2 2 321.468 3.078 20 0 DGADLP CC[C@@H](CC(C)C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001172404889 1097129875 /nfs/dbraw/zinc/12/98/75/1097129875.db2.gz NNLBDPFEMRDRHV-HNNXBMFYSA-N 2 2 305.466 3.473 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)c1 ZINC001172383321 1097141151 /nfs/dbraw/zinc/14/11/51/1097141151.db2.gz PEGGOCXOYCNLHG-BZUAXINKSA-N 2 2 303.450 3.037 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc[nH+]1 ZINC001172385492 1097142029 /nfs/dbraw/zinc/14/20/29/1097142029.db2.gz YNAKGQUCIUGPMQ-YQQAZPJKSA-N 2 2 317.477 3.473 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001172721874 1097216232 /nfs/dbraw/zinc/21/62/32/1097216232.db2.gz KXMIRBLGOBUVMH-QGZVFWFLSA-N 2 2 301.821 3.341 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172854988 1097262534 /nfs/dbraw/zinc/26/25/34/1097262534.db2.gz BAKRGYXKKLVVLA-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172854988 1097262538 /nfs/dbraw/zinc/26/25/38/1097262538.db2.gz BAKRGYXKKLVVLA-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172854988 1097262541 /nfs/dbraw/zinc/26/25/41/1097262541.db2.gz BAKRGYXKKLVVLA-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172854988 1097262546 /nfs/dbraw/zinc/26/25/46/1097262546.db2.gz BAKRGYXKKLVVLA-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP Cc1[nH+]c2c(n1[C@H](C)Cc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC001172863764 1097266525 /nfs/dbraw/zinc/26/65/25/1097266525.db2.gz KKGLUHJGBWHTIY-LLVKDONJSA-N 2 2 321.827 3.476 20 0 DGADLP c1cn(C2CCC3(CCOCC3)CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001173047917 1097312239 /nfs/dbraw/zinc/31/22/39/1097312239.db2.gz JATINOOYXMUUHY-OAHLLOKOSA-N 2 2 303.450 3.262 20 0 DGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3ncsc3C2)cc1 ZINC001173129453 1097338311 /nfs/dbraw/zinc/33/83/11/1097338311.db2.gz HVIBRCMRHURWSI-CQSZACIVSA-N 2 2 310.426 3.195 20 0 DGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173146561 1097347773 /nfs/dbraw/zinc/34/77/73/1097347773.db2.gz TWSHTMHMXVNCGR-MRXNPFEDSA-N 2 2 319.518 3.339 20 0 DGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173146561 1097347776 /nfs/dbraw/zinc/34/77/76/1097347776.db2.gz TWSHTMHMXVNCGR-MRXNPFEDSA-N 2 2 319.518 3.339 20 0 DGADLP c1ccc(OC2CCC([NH2+]CCOc3cc[nH+]cc3)CC2)cc1 ZINC001173202565 1097361710 /nfs/dbraw/zinc/36/17/10/1097361710.db2.gz VJKNICYHOYAJMH-UHFFFAOYSA-N 2 2 312.413 3.440 20 0 DGADLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001173296830 1097400949 /nfs/dbraw/zinc/40/09/49/1097400949.db2.gz XAUSGRMKEWCECX-CQSZACIVSA-N 2 2 308.491 3.088 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173473591 1097443620 /nfs/dbraw/zinc/44/36/20/1097443620.db2.gz FEMORCDUGBFQPJ-CYBMUJFWSA-N 2 2 308.416 3.142 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3cccnc23)C2CCCC2)CC1 ZINC001231494234 1097762617 /nfs/dbraw/zinc/76/26/17/1097762617.db2.gz OFQMFYYGDSNXNF-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3cccnc23)C2CCCC2)CC1 ZINC001231494234 1097762621 /nfs/dbraw/zinc/76/26/21/1097762621.db2.gz OFQMFYYGDSNXNF-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174587565 1097768793 /nfs/dbraw/zinc/76/87/93/1097768793.db2.gz FCJLIYMUYDEMLX-QGZVFWFLSA-N 2 2 322.497 3.118 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277544814 1097798577 /nfs/dbraw/zinc/79/85/77/1097798577.db2.gz TZEOOCOPJZRCSA-SFHVURJKSA-N 2 2 318.509 3.107 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277544814 1097798581 /nfs/dbraw/zinc/79/85/81/1097798581.db2.gz TZEOOCOPJZRCSA-SFHVURJKSA-N 2 2 318.509 3.107 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001231653608 1097802667 /nfs/dbraw/zinc/80/26/67/1097802667.db2.gz VBZAPSQERSGKIA-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001231653608 1097802676 /nfs/dbraw/zinc/80/26/76/1097802676.db2.gz VBZAPSQERSGKIA-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3c2cccc3OC)CC1 ZINC001231900424 1097885739 /nfs/dbraw/zinc/88/57/39/1097885739.db2.gz JCTNKOIPTGZTNH-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP CN1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1c1ccccc1 ZINC001232013808 1097916170 /nfs/dbraw/zinc/91/61/70/1097916170.db2.gz FXLUBUVQPFGQTK-LJQANCHMSA-N 2 2 306.413 3.052 20 0 DGADLP CN1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H]1c1ccccc1 ZINC001232013808 1097916172 /nfs/dbraw/zinc/91/61/72/1097916172.db2.gz FXLUBUVQPFGQTK-LJQANCHMSA-N 2 2 306.413 3.052 20 0 DGADLP COc1cccc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c21 ZINC001232036952 1097922731 /nfs/dbraw/zinc/92/27/31/1097922731.db2.gz PNFMEZHMXQSXEL-UHFFFAOYSA-N 2 2 310.401 3.210 20 0 DGADLP C[N@H+](Cc1cc2ncccc2[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232066111 1097928581 /nfs/dbraw/zinc/92/85/81/1097928581.db2.gz NFOXVHVHKGFTRN-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CC(C)[N@@H+](Cc1cnc(-c2cccnc2)o1)C1CC[NH+](C)CC1 ZINC001232137990 1097947137 /nfs/dbraw/zinc/94/71/37/1097947137.db2.gz OMFOUGZSNOZXPL-UHFFFAOYSA-N 2 2 314.433 3.041 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001232145349 1097949762 /nfs/dbraw/zinc/94/97/62/1097949762.db2.gz QJBOMXRHKNFZTC-ROUUACIJSA-N 2 2 318.436 3.221 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001232145349 1097949767 /nfs/dbraw/zinc/94/97/67/1097949767.db2.gz QJBOMXRHKNFZTC-ROUUACIJSA-N 2 2 318.436 3.221 20 0 DGADLP CCc1sc(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC001232287985 1097993884 /nfs/dbraw/zinc/99/38/84/1097993884.db2.gz YRQCKWUCCSJBHY-UHFFFAOYSA-N 2 2 319.312 3.457 20 0 DGADLP CCc1sc(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC001232287985 1097993888 /nfs/dbraw/zinc/99/38/88/1097993888.db2.gz YRQCKWUCCSJBHY-UHFFFAOYSA-N 2 2 319.312 3.457 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232386959 1098021856 /nfs/dbraw/zinc/02/18/56/1098021856.db2.gz WLFZKGUWAMZQFA-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232386959 1098021862 /nfs/dbraw/zinc/02/18/62/1098021862.db2.gz WLFZKGUWAMZQFA-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP Cc1[nH]c(CN(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c[nH+]1 ZINC001232462839 1098044784 /nfs/dbraw/zinc/04/47/84/1098044784.db2.gz VFDURTMBTLSADO-HNAYVOBHSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1[nH]c(CN(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c[nH+]1 ZINC001232462839 1098044787 /nfs/dbraw/zinc/04/47/87/1098044787.db2.gz VFDURTMBTLSADO-HNAYVOBHSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1[nH]cc(CN(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)[nH+]1 ZINC001232462839 1098044794 /nfs/dbraw/zinc/04/47/94/1098044794.db2.gz VFDURTMBTLSADO-HNAYVOBHSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1[nH]cc(CN(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)[nH+]1 ZINC001232462839 1098044799 /nfs/dbraw/zinc/04/47/99/1098044799.db2.gz VFDURTMBTLSADO-HNAYVOBHSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001232560242 1098078435 /nfs/dbraw/zinc/07/84/35/1098078435.db2.gz SRVVZLDBLDREGF-CQSZACIVSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001232560242 1098078437 /nfs/dbraw/zinc/07/84/37/1098078437.db2.gz SRVVZLDBLDREGF-CQSZACIVSA-N 2 2 309.369 3.185 20 0 DGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175643765 1098112793 /nfs/dbraw/zinc/11/27/93/1098112793.db2.gz GJRUQBLTVMGKKB-CVEARBPZSA-N 2 2 322.497 3.043 20 0 DGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175643765 1098112797 /nfs/dbraw/zinc/11/27/97/1098112797.db2.gz GJRUQBLTVMGKKB-CVEARBPZSA-N 2 2 322.497 3.043 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001277707769 1098124633 /nfs/dbraw/zinc/12/46/33/1098124633.db2.gz GXZGPOYHELKRNJ-IBGZPJMESA-N 2 2 315.461 3.004 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001277707769 1098124637 /nfs/dbraw/zinc/12/46/37/1098124637.db2.gz GXZGPOYHELKRNJ-IBGZPJMESA-N 2 2 315.461 3.004 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC001176069405 1098255074 /nfs/dbraw/zinc/25/50/74/1098255074.db2.gz IEPLOLIWODFEIA-KSZLIROESA-N 2 2 306.494 3.427 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC001176069405 1098255078 /nfs/dbraw/zinc/25/50/78/1098255078.db2.gz IEPLOLIWODFEIA-KSZLIROESA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC001176069405 1098255083 /nfs/dbraw/zinc/25/50/83/1098255083.db2.gz IEPLOLIWODFEIA-KSZLIROESA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC001176069405 1098255084 /nfs/dbraw/zinc/25/50/84/1098255084.db2.gz IEPLOLIWODFEIA-KSZLIROESA-N 2 2 306.494 3.427 20 0 DGADLP CC[N@H+](Cc1csc(Br)c1)C1CC[NH+](C)CC1 ZINC001233414576 1098321112 /nfs/dbraw/zinc/32/11/12/1098321112.db2.gz TURMZWICTIDZOW-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP CC[N@@H+](Cc1csc(Br)c1)C1CC[NH+](C)CC1 ZINC001233414576 1098321119 /nfs/dbraw/zinc/32/11/19/1098321119.db2.gz TURMZWICTIDZOW-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3ccc4c[nH+]ccc4c3)cn2)CC1 ZINC001176656006 1098410409 /nfs/dbraw/zinc/41/04/09/1098410409.db2.gz GRNMEXOOLYBRIA-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP c1cc(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)cc(C[NH+]2CCOCC2)c1 ZINC001177323292 1098516925 /nfs/dbraw/zinc/51/69/25/1098516925.db2.gz MFURMFGVIZIJOZ-YRWFTTLQSA-N 2 2 314.473 3.187 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC001234602188 1098614371 /nfs/dbraw/zinc/61/43/71/1098614371.db2.gz ZAGHSOUDTAUKJZ-CABCVRRESA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC001234602188 1098614375 /nfs/dbraw/zinc/61/43/75/1098614375.db2.gz ZAGHSOUDTAUKJZ-CABCVRRESA-N 2 2 312.461 3.121 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(OCC)c1 ZINC001234992482 1098736075 /nfs/dbraw/zinc/73/60/75/1098736075.db2.gz JPJDSXWKSMLOTP-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(OCC)c1 ZINC001234992482 1098736082 /nfs/dbraw/zinc/73/60/82/1098736082.db2.gz JPJDSXWKSMLOTP-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1Br ZINC001234990564 1098736480 /nfs/dbraw/zinc/73/64/80/1098736480.db2.gz AWMFDIDGCKEOMO-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1Br ZINC001234990564 1098736488 /nfs/dbraw/zinc/73/64/88/1098736488.db2.gz AWMFDIDGCKEOMO-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995298 1098739248 /nfs/dbraw/zinc/73/92/48/1098739248.db2.gz VKZFMALURRJHFX-MRXNPFEDSA-N 2 2 323.278 3.067 20 0 DGADLP Brc1ccccc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995298 1098739257 /nfs/dbraw/zinc/73/92/57/1098739257.db2.gz VKZFMALURRJHFX-MRXNPFEDSA-N 2 2 323.278 3.067 20 0 DGADLP Cc1c(Cl)ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1C ZINC001235019178 1098753701 /nfs/dbraw/zinc/75/37/01/1098753701.db2.gz AGGICTUDNZVZRZ-GOSISDBHSA-N 2 2 322.880 3.159 20 0 DGADLP Cc1c(Cl)ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1C ZINC001235019178 1098753708 /nfs/dbraw/zinc/75/37/08/1098753708.db2.gz AGGICTUDNZVZRZ-GOSISDBHSA-N 2 2 322.880 3.159 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042948 1098768746 /nfs/dbraw/zinc/76/87/46/1098768746.db2.gz DAJGPEGBOHVYMT-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042948 1098768756 /nfs/dbraw/zinc/76/87/56/1098768756.db2.gz DAJGPEGBOHVYMT-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235045734 1098772209 /nfs/dbraw/zinc/77/22/09/1098772209.db2.gz NDFAKLJRDUDJIT-QGZVFWFLSA-N 2 2 310.388 3.396 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235045734 1098772220 /nfs/dbraw/zinc/77/22/20/1098772220.db2.gz NDFAKLJRDUDJIT-QGZVFWFLSA-N 2 2 310.388 3.396 20 0 DGADLP Cc1nnc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)o1 ZINC001235050603 1098776427 /nfs/dbraw/zinc/77/64/27/1098776427.db2.gz BIRQNSNSMAHUDE-UHFFFAOYSA-N 2 2 323.400 3.079 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)c(O)cc2F)CC1 ZINC001206325284 1098790306 /nfs/dbraw/zinc/79/03/06/1098790306.db2.gz HDHIQVCOBIWWHN-HNNXBMFYSA-N 2 2 300.805 3.136 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)c(O)cc2F)CC1 ZINC001206325284 1098790317 /nfs/dbraw/zinc/79/03/17/1098790317.db2.gz HDHIQVCOBIWWHN-HNNXBMFYSA-N 2 2 300.805 3.136 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Cl)c(O)cc2F)CC1 ZINC001206325285 1098790552 /nfs/dbraw/zinc/79/05/52/1098790552.db2.gz HDHIQVCOBIWWHN-OAHLLOKOSA-N 2 2 300.805 3.136 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)c(O)cc2F)CC1 ZINC001206325285 1098790559 /nfs/dbraw/zinc/79/05/59/1098790559.db2.gz HDHIQVCOBIWWHN-OAHLLOKOSA-N 2 2 300.805 3.136 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c1Cl ZINC001235092398 1098795998 /nfs/dbraw/zinc/79/59/98/1098795998.db2.gz ILRPRDAYCCYQIJ-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c1Cl ZINC001235092398 1098796001 /nfs/dbraw/zinc/79/60/01/1098796001.db2.gz ILRPRDAYCCYQIJ-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Fc1c(Cl)cc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc1Cl ZINC001235092329 1098796479 /nfs/dbraw/zinc/79/64/79/1098796479.db2.gz IEBVOHZCXYEMMA-UHFFFAOYSA-N 2 2 303.208 3.318 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(Oc3cccnc3)cc1)C2 ZINC001235114677 1098816748 /nfs/dbraw/zinc/81/67/48/1098816748.db2.gz KYDCOLPJBYDGDW-YLJYHZDGSA-N 2 2 323.440 3.257 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(Oc3cccnc3)cc1)C2 ZINC001235114677 1098816763 /nfs/dbraw/zinc/81/67/63/1098816763.db2.gz KYDCOLPJBYDGDW-YLJYHZDGSA-N 2 2 323.440 3.257 20 0 DGADLP c1cc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001235119230 1098821270 /nfs/dbraw/zinc/82/12/70/1098821270.db2.gz YQHHJAFHZLNVRK-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001235119230 1098821286 /nfs/dbraw/zinc/82/12/86/1098821286.db2.gz YQHHJAFHZLNVRK-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP Brc1ccc(CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235124357 1098822859 /nfs/dbraw/zinc/82/28/59/1098822859.db2.gz MYKBDHFCQFNUHW-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235124357 1098822870 /nfs/dbraw/zinc/82/28/70/1098822870.db2.gz MYKBDHFCQFNUHW-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235126076 1098825634 /nfs/dbraw/zinc/82/56/34/1098825634.db2.gz RVPDRYHEUAWEMB-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235126076 1098825651 /nfs/dbraw/zinc/82/56/51/1098825651.db2.gz RVPDRYHEUAWEMB-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP Cc1c(Br)ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC001235183536 1098861069 /nfs/dbraw/zinc/86/10/69/1098861069.db2.gz AQNLBNASPCCXKD-HIFRSBDPSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1c(Br)ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC001235183536 1098861077 /nfs/dbraw/zinc/86/10/77/1098861077.db2.gz AQNLBNASPCCXKD-HIFRSBDPSA-N 2 2 323.278 3.107 20 0 DGADLP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3sc4ccccc4c3Br)C[C@H]21 ZINC001235210000 1098881657 /nfs/dbraw/zinc/88/16/57/1098881657.db2.gz IDNPHTOYEDSQCL-MSRIBSCDSA-N 2 2 323.259 3.053 20 0 DGADLP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3sc4ccccc4c3Br)C[C@H]21 ZINC001235210000 1098881662 /nfs/dbraw/zinc/88/16/62/1098881662.db2.gz IDNPHTOYEDSQCL-MSRIBSCDSA-N 2 2 323.259 3.053 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc(C)c1F ZINC001235231958 1098906310 /nfs/dbraw/zinc/90/63/10/1098906310.db2.gz RESBBZMUEALCTL-ZFWWWQNUSA-N 2 2 316.342 3.026 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc(C)c1F ZINC001235231958 1098906319 /nfs/dbraw/zinc/90/63/19/1098906319.db2.gz RESBBZMUEALCTL-ZFWWWQNUSA-N 2 2 316.342 3.026 20 0 DGADLP C[C@@H](C[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235238263 1098910683 /nfs/dbraw/zinc/91/06/83/1098910683.db2.gz CHBZABLUATXZFB-YSSFQJQWSA-N 2 2 310.441 3.006 20 0 DGADLP C[C@@H](C[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235238263 1098910699 /nfs/dbraw/zinc/91/06/99/1098910699.db2.gz CHBZABLUATXZFB-YSSFQJQWSA-N 2 2 310.441 3.006 20 0 DGADLP CCC[NH2+]CCCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001178770528 1098919892 /nfs/dbraw/zinc/91/98/92/1098919892.db2.gz LRFUTHHEOHKRIG-QGZVFWFLSA-N 2 2 322.497 3.147 20 0 DGADLP COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2ccccc2)cn1 ZINC001235248600 1098922804 /nfs/dbraw/zinc/92/28/04/1098922804.db2.gz WZCKFSLWLULUDF-YLJYHZDGSA-N 2 2 323.440 3.070 20 0 DGADLP COc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2ccccc2)cn1 ZINC001235248600 1098922813 /nfs/dbraw/zinc/92/28/13/1098922813.db2.gz WZCKFSLWLULUDF-YLJYHZDGSA-N 2 2 323.440 3.070 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)ccc1OCc1ccccc1 ZINC001235256964 1098929786 /nfs/dbraw/zinc/92/97/86/1098929786.db2.gz HRDJHZFGRUAAOJ-PMACEKPBSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)ccc1OCc1ccccc1 ZINC001235256964 1098929790 /nfs/dbraw/zinc/92/97/90/1098929790.db2.gz HRDJHZFGRUAAOJ-PMACEKPBSA-N 2 2 322.452 3.368 20 0 DGADLP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)c(F)c1 ZINC001235260095 1098930621 /nfs/dbraw/zinc/93/06/21/1098930621.db2.gz NCPXGZOHSWYRJR-BEFAXECRSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)c(F)c1 ZINC001235260095 1098930634 /nfs/dbraw/zinc/93/06/34/1098930634.db2.gz NCPXGZOHSWYRJR-BEFAXECRSA-N 2 2 314.379 3.426 20 0 DGADLP C[N@H+](Cc1c[nH]c2cc(Br)ccc12)[C@H]1CCC[NH2+]C1 ZINC001235347149 1098971059 /nfs/dbraw/zinc/97/10/59/1098971059.db2.gz MYRNLSFUXDXNIC-ZDUSSCGKSA-N 2 2 322.250 3.114 20 0 DGADLP C[N@@H+](Cc1c[nH]c2cc(Br)ccc12)[C@H]1CCC[NH2+]C1 ZINC001235347149 1098971066 /nfs/dbraw/zinc/97/10/66/1098971066.db2.gz MYRNLSFUXDXNIC-ZDUSSCGKSA-N 2 2 322.250 3.114 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235407331 1099005343 /nfs/dbraw/zinc/00/53/43/1099005343.db2.gz RICXRUWZSULHJN-HKUYNNGSSA-N 2 2 320.452 3.387 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235407331 1099005357 /nfs/dbraw/zinc/00/53/57/1099005357.db2.gz RICXRUWZSULHJN-HKUYNNGSSA-N 2 2 320.452 3.387 20 0 DGADLP Cc1nc2cc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2s1 ZINC001206370098 1099033968 /nfs/dbraw/zinc/03/39/68/1099033968.db2.gz KVJISLJDRDNGJD-MRXNPFEDSA-N 2 2 307.438 3.258 20 0 DGADLP Cc1nc2cc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2s1 ZINC001206370098 1099033982 /nfs/dbraw/zinc/03/39/82/1099033982.db2.gz KVJISLJDRDNGJD-MRXNPFEDSA-N 2 2 307.438 3.258 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1ccc2ccccc2c1Br ZINC001235435539 1099033855 /nfs/dbraw/zinc/03/38/55/1099033855.db2.gz NZTHADXHEARIKP-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1ccc2ccccc2c1Br ZINC001235435539 1099033870 /nfs/dbraw/zinc/03/38/70/1099033870.db2.gz NZTHADXHEARIKP-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)c1F ZINC001235464307 1099052027 /nfs/dbraw/zinc/05/20/27/1099052027.db2.gz CKLQBFVVXKFPNB-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP Cc1cc(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)c1F ZINC001235464307 1099052040 /nfs/dbraw/zinc/05/20/40/1099052040.db2.gz CKLQBFVVXKFPNB-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP COc1cncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001235467579 1099052435 /nfs/dbraw/zinc/05/24/35/1099052435.db2.gz ZQTFPGULVFHYFO-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP COc1cncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001235467579 1099052447 /nfs/dbraw/zinc/05/24/47/1099052447.db2.gz ZQTFPGULVFHYFO-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP Cc1ccccc1O[C@@H]1CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235675056 1099118520 /nfs/dbraw/zinc/11/85/20/1099118520.db2.gz NQJYMUBRAXDPLW-RTBURBONSA-N 2 2 310.441 3.018 20 0 DGADLP Cc1ccccc1O[C@@H]1CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235675056 1099118525 /nfs/dbraw/zinc/11/85/25/1099118525.db2.gz NQJYMUBRAXDPLW-RTBURBONSA-N 2 2 310.441 3.018 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235689872 1099130418 /nfs/dbraw/zinc/13/04/18/1099130418.db2.gz DIKUQTXBRLBSTM-UXHICEINSA-N 2 2 324.468 3.408 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235689872 1099130423 /nfs/dbraw/zinc/13/04/23/1099130423.db2.gz DIKUQTXBRLBSTM-UXHICEINSA-N 2 2 324.468 3.408 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708972 1099139473 /nfs/dbraw/zinc/13/94/73/1099139473.db2.gz DAUNSULHXDSNFR-ZIAGYGMSSA-N 2 2 317.260 3.322 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708972 1099139478 /nfs/dbraw/zinc/13/94/78/1099139478.db2.gz DAUNSULHXDSNFR-ZIAGYGMSSA-N 2 2 317.260 3.322 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CO1 ZINC001235714551 1099141608 /nfs/dbraw/zinc/14/16/08/1099141608.db2.gz NIOAKVZUWKENHS-BBRMVZONSA-N 2 2 310.388 3.216 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H]2c2cc(F)ccc2F)CO1 ZINC001235714551 1099141614 /nfs/dbraw/zinc/14/16/14/1099141614.db2.gz NIOAKVZUWKENHS-BBRMVZONSA-N 2 2 310.388 3.216 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C1CC[NH2+]CC1 ZINC001235762988 1099170736 /nfs/dbraw/zinc/17/07/36/1099170736.db2.gz ZAEOLNADXDANAY-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C1CC[NH2+]CC1 ZINC001235762988 1099170737 /nfs/dbraw/zinc/17/07/37/1099170737.db2.gz ZAEOLNADXDANAY-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP COCCC[N@H+](Cc1cc(Cl)ccc1C)[C@H]1CCC[NH2+]C1 ZINC001235805139 1099186897 /nfs/dbraw/zinc/18/68/97/1099186897.db2.gz GVBPHSNIFKPLMG-KRWDZBQOSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1cc(Cl)ccc1C)[C@H]1CCC[NH2+]C1 ZINC001235805139 1099186898 /nfs/dbraw/zinc/18/68/98/1099186898.db2.gz GVBPHSNIFKPLMG-KRWDZBQOSA-N 2 2 310.869 3.239 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(Br)cc1F ZINC001235925853 1099263243 /nfs/dbraw/zinc/26/32/43/1099263243.db2.gz PTUVHHCMYRLBOU-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])c(Br)cc1F ZINC001235925853 1099263248 /nfs/dbraw/zinc/26/32/48/1099263248.db2.gz PTUVHHCMYRLBOU-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1cccc2cc(Br)cnc21 ZINC001235947303 1099280293 /nfs/dbraw/zinc/28/02/93/1099280293.db2.gz JBRNRHWAYBVVKZ-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc2cc(Br)cnc21 ZINC001235947303 1099280302 /nfs/dbraw/zinc/28/03/02/1099280302.db2.gz JBRNRHWAYBVVKZ-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C)c1Br ZINC001235941239 1099276868 /nfs/dbraw/zinc/27/68/68/1099276868.db2.gz VDVRPTMYSJHEKO-HUUCEWRRSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C)c1Br ZINC001235941239 1099276878 /nfs/dbraw/zinc/27/68/78/1099276878.db2.gz VDVRPTMYSJHEKO-HUUCEWRRSA-N 2 2 323.278 3.107 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH2+]C2CCCCC2)c(OC)c1 ZINC001235947719 1099280871 /nfs/dbraw/zinc/28/08/71/1099280871.db2.gz FQBPDMIOWHCFDH-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH2+]C2CCCCC2)c(OC)c1 ZINC001235947719 1099280876 /nfs/dbraw/zinc/28/08/76/1099280876.db2.gz FQBPDMIOWHCFDH-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP COc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc(Cl)c1Cl ZINC001235959547 1099291905 /nfs/dbraw/zinc/29/19/05/1099291905.db2.gz YIAOLQGDLVPDNL-WDAIWFPHSA-N 2 2 315.244 3.171 20 0 DGADLP COc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc(Cl)c1Cl ZINC001235959547 1099291914 /nfs/dbraw/zinc/29/19/14/1099291914.db2.gz YIAOLQGDLVPDNL-WDAIWFPHSA-N 2 2 315.244 3.171 20 0 DGADLP CCC(CC)[N@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC001235960939 1099295164 /nfs/dbraw/zinc/29/51/64/1099295164.db2.gz ZDCKELKABWJVHU-UHFFFAOYSA-N 2 2 304.478 3.134 20 0 DGADLP CCC(CC)[N@@H+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC001235960939 1099295174 /nfs/dbraw/zinc/29/51/74/1099295174.db2.gz ZDCKELKABWJVHU-UHFFFAOYSA-N 2 2 304.478 3.134 20 0 DGADLP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C2CCCC2)n1 ZINC001180099359 1099313926 /nfs/dbraw/zinc/31/39/26/1099313926.db2.gz YFRCQBQYCQJOGI-SFHVURJKSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C2CCCC2)n1 ZINC001180099359 1099313939 /nfs/dbraw/zinc/31/39/39/1099313939.db2.gz YFRCQBQYCQJOGI-SFHVURJKSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C2CCCC2)n1 ZINC001180099359 1099313952 /nfs/dbraw/zinc/31/39/52/1099313952.db2.gz YFRCQBQYCQJOGI-SFHVURJKSA-N 2 2 318.509 3.384 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C2CCCC2)n1 ZINC001180099359 1099313964 /nfs/dbraw/zinc/31/39/64/1099313964.db2.gz YFRCQBQYCQJOGI-SFHVURJKSA-N 2 2 318.509 3.384 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990340 1099315663 /nfs/dbraw/zinc/31/56/63/1099315663.db2.gz GIGUWSZRLCZGEC-QAPCUYQASA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990340 1099315673 /nfs/dbraw/zinc/31/56/73/1099315673.db2.gz GIGUWSZRLCZGEC-QAPCUYQASA-N 2 2 313.832 3.325 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997824 1099319674 /nfs/dbraw/zinc/31/96/74/1099319674.db2.gz ZPKSSZRKEVQTHU-FXAWDEMLSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997824 1099319686 /nfs/dbraw/zinc/31/96/86/1099319686.db2.gz ZPKSSZRKEVQTHU-FXAWDEMLSA-N 2 2 308.425 3.285 20 0 DGADLP CC[N@H+](Cc1ccccc1C1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC001236007812 1099328053 /nfs/dbraw/zinc/32/80/53/1099328053.db2.gz BSOHDYWMBPGNTB-GOSISDBHSA-N 2 2 302.462 3.155 20 0 DGADLP CC[N@@H+](Cc1ccccc1C1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC001236007812 1099328064 /nfs/dbraw/zinc/32/80/64/1099328064.db2.gz BSOHDYWMBPGNTB-GOSISDBHSA-N 2 2 302.462 3.155 20 0 DGADLP CC[N@H+](Cc1cccc(-c2nccs2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236007563 1099329389 /nfs/dbraw/zinc/32/93/89/1099329389.db2.gz OEEIQLSGLUVDBW-MRXNPFEDSA-N 2 2 301.459 3.384 20 0 DGADLP CC[N@@H+](Cc1cccc(-c2nccs2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236007563 1099329399 /nfs/dbraw/zinc/32/93/99/1099329399.db2.gz OEEIQLSGLUVDBW-MRXNPFEDSA-N 2 2 301.459 3.384 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001236010463 1099333339 /nfs/dbraw/zinc/33/33/39/1099333339.db2.gz SKUAABTYOSKONC-HNNXBMFYSA-N 2 2 318.852 3.100 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001236010463 1099333349 /nfs/dbraw/zinc/33/33/49/1099333349.db2.gz SKUAABTYOSKONC-HNNXBMFYSA-N 2 2 318.852 3.100 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236010467 1099334185 /nfs/dbraw/zinc/33/41/85/1099334185.db2.gz SKUAABTYOSKONC-OAHLLOKOSA-N 2 2 318.852 3.100 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236010467 1099334196 /nfs/dbraw/zinc/33/41/96/1099334196.db2.gz SKUAABTYOSKONC-OAHLLOKOSA-N 2 2 318.852 3.100 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236092872 1099380809 /nfs/dbraw/zinc/38/08/09/1099380809.db2.gz FQBVZKULCJKQNA-UZLBHIALSA-N 2 2 310.441 3.353 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236092872 1099380818 /nfs/dbraw/zinc/38/08/18/1099380818.db2.gz FQBVZKULCJKQNA-UZLBHIALSA-N 2 2 310.441 3.353 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C[C@@H]1[NH3+] ZINC001236093891 1099383494 /nfs/dbraw/zinc/38/34/94/1099383494.db2.gz NNAGPDLKFNCMOR-XIKOKIGWSA-N 2 2 302.368 3.411 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C[C@@H]1[NH3+] ZINC001236093891 1099383507 /nfs/dbraw/zinc/38/35/07/1099383507.db2.gz NNAGPDLKFNCMOR-XIKOKIGWSA-N 2 2 302.368 3.411 20 0 DGADLP C[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213702 1099470060 /nfs/dbraw/zinc/47/00/60/1099470060.db2.gz BCWMDMMCABLBKX-ZIAGYGMSSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213702 1099470063 /nfs/dbraw/zinc/47/00/63/1099470063.db2.gz BCWMDMMCABLBKX-ZIAGYGMSSA-N 2 2 315.230 3.290 20 0 DGADLP Cn1c2ccccc2c(C[N@@H+]2CC[C@@H]([NH3+])C2)c1-c1ccccc1 ZINC001236170324 1099443681 /nfs/dbraw/zinc/44/36/81/1099443681.db2.gz ISCMBLRWNUFYPX-MRXNPFEDSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1c2ccccc2c(C[N@H+]2CC[C@@H]([NH3+])C2)c1-c1ccccc1 ZINC001236170324 1099443687 /nfs/dbraw/zinc/44/36/87/1099443687.db2.gz ISCMBLRWNUFYPX-MRXNPFEDSA-N 2 2 305.425 3.378 20 0 DGADLP CCC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[NH2+]1 ZINC001236180102 1099451519 /nfs/dbraw/zinc/45/15/19/1099451519.db2.gz ZWBVIIJNIIENTJ-HNNXBMFYSA-N 2 2 318.852 3.100 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209650 1099465953 /nfs/dbraw/zinc/46/59/53/1099465953.db2.gz XYFTWIIBVSLWRJ-GOSISDBHSA-N 2 2 301.434 3.141 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209650 1099465960 /nfs/dbraw/zinc/46/59/60/1099465960.db2.gz XYFTWIIBVSLWRJ-GOSISDBHSA-N 2 2 301.434 3.141 20 0 DGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214147 1099470405 /nfs/dbraw/zinc/47/04/05/1099470405.db2.gz CKYDNANNXCGWOO-GJZGRUSLSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC001236214147 1099470408 /nfs/dbraw/zinc/47/04/08/1099470408.db2.gz CKYDNANNXCGWOO-GJZGRUSLSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1ccccc1N1CCCCC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216573 1099472940 /nfs/dbraw/zinc/47/29/40/1099472940.db2.gz KGBDTLBUGLQICN-MJGOQNOKSA-N 2 2 301.478 3.379 20 0 DGADLP C[N@@H+](Cc1ccccc1N1CCCCC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216573 1099472945 /nfs/dbraw/zinc/47/29/45/1099472945.db2.gz KGBDTLBUGLQICN-MJGOQNOKSA-N 2 2 301.478 3.379 20 0 DGADLP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217959 1099474639 /nfs/dbraw/zinc/47/46/39/1099474639.db2.gz QXLXDGNYKUKDAV-KGLIPLIRSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217959 1099474641 /nfs/dbraw/zinc/47/46/41/1099474641.db2.gz QXLXDGNYKUKDAV-KGLIPLIRSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218799 1099475715 /nfs/dbraw/zinc/47/57/15/1099475715.db2.gz UCXDUMQVJZMCKH-QWHCGFSZSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218799 1099475722 /nfs/dbraw/zinc/47/57/22/1099475722.db2.gz UCXDUMQVJZMCKH-QWHCGFSZSA-N 2 2 302.340 3.113 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001236252769 1099503103 /nfs/dbraw/zinc/50/31/03/1099503103.db2.gz PKAILQZBNMYUTP-MRXNPFEDSA-N 2 2 301.821 3.325 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001236252769 1099503115 /nfs/dbraw/zinc/50/31/15/1099503115.db2.gz PKAILQZBNMYUTP-MRXNPFEDSA-N 2 2 301.821 3.325 20 0 DGADLP COc1ccccc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285820 1099518259 /nfs/dbraw/zinc/51/82/59/1099518259.db2.gz HXAMYNFISXLCNJ-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccccc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236285820 1099518268 /nfs/dbraw/zinc/51/82/68/1099518268.db2.gz HXAMYNFISXLCNJ-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP CCCC[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001273541036 1099531408 /nfs/dbraw/zinc/53/14/08/1099531408.db2.gz LGOMFZRZBLBHET-UHFFFAOYSA-N 2 2 305.466 3.201 20 0 DGADLP CCCC[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001273541036 1099531417 /nfs/dbraw/zinc/53/14/17/1099531417.db2.gz LGOMFZRZBLBHET-UHFFFAOYSA-N 2 2 305.466 3.201 20 0 DGADLP COCC[N@H+](CCc1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236330903 1099543145 /nfs/dbraw/zinc/54/31/45/1099543145.db2.gz VOSSLTMFTJXAFZ-LJQANCHMSA-N 2 2 304.478 3.053 20 0 DGADLP COCC[N@@H+](CCc1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236330903 1099543156 /nfs/dbraw/zinc/54/31/56/1099543156.db2.gz VOSSLTMFTJXAFZ-LJQANCHMSA-N 2 2 304.478 3.053 20 0 DGADLP CCOC(C)(C)C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387363 1099568164 /nfs/dbraw/zinc/56/81/64/1099568164.db2.gz AUPPFUXHYGYNSS-KRWDZBQOSA-N 2 2 308.441 3.195 20 0 DGADLP CCOC(C)(C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387363 1099568176 /nfs/dbraw/zinc/56/81/76/1099568176.db2.gz AUPPFUXHYGYNSS-KRWDZBQOSA-N 2 2 308.441 3.195 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236407817 1099581618 /nfs/dbraw/zinc/58/16/18/1099581618.db2.gz HZXPYVUFZPPZMK-JTQLQIEISA-N 2 2 322.321 3.415 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236407817 1099581630 /nfs/dbraw/zinc/58/16/30/1099581630.db2.gz HZXPYVUFZPPZMK-JTQLQIEISA-N 2 2 322.321 3.415 20 0 DGADLP CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CC[NH2+]C1 ZINC001236410356 1099583413 /nfs/dbraw/zinc/58/34/13/1099583413.db2.gz ZDZLZPHOZGJNCV-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CC[NH2+]C1 ZINC001236410356 1099583420 /nfs/dbraw/zinc/58/34/20/1099583420.db2.gz ZDZLZPHOZGJNCV-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236417521 1099592975 /nfs/dbraw/zinc/59/29/75/1099592975.db2.gz YDBGDQIQERLFRY-YABSGUDNSA-N 2 2 315.244 3.042 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236417521 1099592987 /nfs/dbraw/zinc/59/29/87/1099592987.db2.gz YDBGDQIQERLFRY-YABSGUDNSA-N 2 2 315.244 3.042 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](F)(C[NH3+])C3)s2)cc1 ZINC001236435649 1099610709 /nfs/dbraw/zinc/61/07/09/1099610709.db2.gz UQDGNPPMFDANFK-QGZVFWFLSA-N 2 2 320.433 3.296 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@](F)(C[NH3+])C3)s2)cc1 ZINC001236435649 1099610715 /nfs/dbraw/zinc/61/07/15/1099610715.db2.gz UQDGNPPMFDANFK-QGZVFWFLSA-N 2 2 320.433 3.296 20 0 DGADLP Clc1ccccc1C[N@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236451448 1099618304 /nfs/dbraw/zinc/61/83/04/1099618304.db2.gz RAFHEPCJGCDABR-QGZVFWFLSA-N 2 2 322.880 3.463 20 0 DGADLP Clc1ccccc1C[N@@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC001236451448 1099618305 /nfs/dbraw/zinc/61/83/05/1099618305.db2.gz RAFHEPCJGCDABR-QGZVFWFLSA-N 2 2 322.880 3.463 20 0 DGADLP COc1ccc2oc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001236469793 1099629555 /nfs/dbraw/zinc/62/95/55/1099629555.db2.gz XCCYTYMGWYNNEB-OAHLLOKOSA-N 2 2 302.418 3.404 20 0 DGADLP COc1ccc2oc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001236469793 1099629559 /nfs/dbraw/zinc/62/95/59/1099629559.db2.gz XCCYTYMGWYNNEB-OAHLLOKOSA-N 2 2 302.418 3.404 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236526874 1099661977 /nfs/dbraw/zinc/66/19/77/1099661977.db2.gz DPCHWKNTXGJQRV-AWEZNQCLSA-N 2 2 316.367 3.466 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236526874 1099661985 /nfs/dbraw/zinc/66/19/85/1099661985.db2.gz DPCHWKNTXGJQRV-AWEZNQCLSA-N 2 2 316.367 3.466 20 0 DGADLP Cc1cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1Br ZINC001236528877 1099663137 /nfs/dbraw/zinc/66/31/37/1099663137.db2.gz LAAFFUOYWMZQEB-AWEZNQCLSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1Br ZINC001236528877 1099663141 /nfs/dbraw/zinc/66/31/41/1099663141.db2.gz LAAFFUOYWMZQEB-AWEZNQCLSA-N 2 2 311.267 3.330 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236606262 1099700137 /nfs/dbraw/zinc/70/01/37/1099700137.db2.gz SGUNUSDLGPLDMD-ZDUSSCGKSA-N 2 2 324.415 3.328 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236606262 1099700141 /nfs/dbraw/zinc/70/01/41/1099700141.db2.gz SGUNUSDLGPLDMD-ZDUSSCGKSA-N 2 2 324.415 3.328 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236605899 1099701603 /nfs/dbraw/zinc/70/16/03/1099701603.db2.gz WQQPEPXKTVMPSP-CYBMUJFWSA-N 2 2 322.758 3.409 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236605899 1099701610 /nfs/dbraw/zinc/70/16/10/1099701610.db2.gz WQQPEPXKTVMPSP-CYBMUJFWSA-N 2 2 322.758 3.409 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(C)cc1Br ZINC001236616385 1099707244 /nfs/dbraw/zinc/70/72/44/1099707244.db2.gz MSLHEDCXZJZVAH-HNNXBMFYSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)cc1Br ZINC001236616385 1099707257 /nfs/dbraw/zinc/70/72/57/1099707257.db2.gz MSLHEDCXZJZVAH-HNNXBMFYSA-N 2 2 311.267 3.237 20 0 DGADLP COc1cc(C)cc(F)c1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236648038 1099719673 /nfs/dbraw/zinc/71/96/73/1099719673.db2.gz OXEMECAMBVWUEL-UHFFFAOYSA-N 2 2 306.425 3.249 20 0 DGADLP COc1cc(C)cc(F)c1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236648038 1099719679 /nfs/dbraw/zinc/71/96/79/1099719679.db2.gz OXEMECAMBVWUEL-UHFFFAOYSA-N 2 2 306.425 3.249 20 0 DGADLP Oc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1F ZINC001236704574 1099750753 /nfs/dbraw/zinc/75/07/53/1099750753.db2.gz CNTAJHQZWXQEMU-MRXNPFEDSA-N 2 2 306.425 3.372 20 0 DGADLP Oc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1F ZINC001236704574 1099750763 /nfs/dbraw/zinc/75/07/63/1099750763.db2.gz CNTAJHQZWXQEMU-MRXNPFEDSA-N 2 2 306.425 3.372 20 0 DGADLP CCC[N@@H+](Cc1cscc1Br)C[C@H]1CC[NH2+]C1 ZINC001236834848 1099821673 /nfs/dbraw/zinc/82/16/73/1099821673.db2.gz IVNWVBBLKONDFU-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@H+](Cc1cscc1Br)C[C@H]1CC[NH2+]C1 ZINC001236834848 1099821679 /nfs/dbraw/zinc/82/16/79/1099821679.db2.gz IVNWVBBLKONDFU-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@@H+](Cc1c(F)ccc(Cl)c1OC)C[C@H]1CC[NH2+]C1 ZINC001236842991 1099830200 /nfs/dbraw/zinc/83/02/00/1099830200.db2.gz JDVWNBBUALHACR-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP CCC[N@H+](Cc1c(F)ccc(Cl)c1OC)C[C@H]1CC[NH2+]C1 ZINC001236842991 1099830212 /nfs/dbraw/zinc/83/02/12/1099830212.db2.gz JDVWNBBUALHACR-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP CC[NH+](CC)CCN(C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902502 1099864377 /nfs/dbraw/zinc/86/43/77/1099864377.db2.gz FXMOCOBEOWYWBM-UHFFFAOYSA-N 2 2 320.868 3.299 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCOCC1 ZINC001236902805 1099865840 /nfs/dbraw/zinc/86/58/40/1099865840.db2.gz JALKIFMTNCMHJR-UHFFFAOYSA-N 2 2 305.809 3.137 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CCOCC1 ZINC001236902805 1099865845 /nfs/dbraw/zinc/86/58/45/1099865845.db2.gz JALKIFMTNCMHJR-UHFFFAOYSA-N 2 2 305.809 3.137 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCCOC1 ZINC001236907313 1099869031 /nfs/dbraw/zinc/86/90/31/1099869031.db2.gz BDDSQDWYEXSASB-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCCOC1 ZINC001236907313 1099869040 /nfs/dbraw/zinc/86/90/40/1099869040.db2.gz BDDSQDWYEXSASB-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913086 1099873237 /nfs/dbraw/zinc/87/32/37/1099873237.db2.gz ZWHAQLWSECILFW-INIZCTEOSA-N 2 2 319.836 3.261 20 0 DGADLP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913086 1099873244 /nfs/dbraw/zinc/87/32/44/1099873244.db2.gz ZWHAQLWSECILFW-INIZCTEOSA-N 2 2 319.836 3.261 20 0 DGADLP CN(CC[NH+]1CCCC1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236915042 1099876611 /nfs/dbraw/zinc/87/66/11/1099876611.db2.gz YSUZXTFUHGDZQC-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP CC(C)[N@@H+](CCCO)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236923848 1099879293 /nfs/dbraw/zinc/87/92/93/1099879293.db2.gz VZEDDEBCKVXTRL-UHFFFAOYSA-N 2 2 307.825 3.119 20 0 DGADLP c1sc2ccccc2c1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC001236950708 1099888152 /nfs/dbraw/zinc/88/81/52/1099888152.db2.gz PAHZUBYSZUEXQS-HNNXBMFYSA-N 2 2 316.470 3.069 20 0 DGADLP C[N@H+](Cc1ccc(-c2ccccc2F)nc1)C1CC[NH+](C)CC1 ZINC001236986754 1099908110 /nfs/dbraw/zinc/90/81/10/1099908110.db2.gz XRLFZRUATFODBP-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ccccc2F)nc1)C1CC[NH+](C)CC1 ZINC001236986754 1099908121 /nfs/dbraw/zinc/90/81/21/1099908121.db2.gz XRLFZRUATFODBP-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027761 1099933567 /nfs/dbraw/zinc/93/35/67/1099933567.db2.gz IPEYTXBPJMNDQH-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027761 1099933580 /nfs/dbraw/zinc/93/35/80/1099933580.db2.gz IPEYTXBPJMNDQH-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027761 1099933593 /nfs/dbraw/zinc/93/35/93/1099933593.db2.gz IPEYTXBPJMNDQH-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027761 1099933605 /nfs/dbraw/zinc/93/36/05/1099933605.db2.gz IPEYTXBPJMNDQH-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001237055593 1099948207 /nfs/dbraw/zinc/94/82/07/1099948207.db2.gz CWSNMUAHGOELDH-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001237055593 1099948223 /nfs/dbraw/zinc/94/82/23/1099948223.db2.gz CWSNMUAHGOELDH-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237057440 1099949536 /nfs/dbraw/zinc/94/95/36/1099949536.db2.gz MRDQQIXMBPAFGI-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237057440 1099949543 /nfs/dbraw/zinc/94/95/43/1099949543.db2.gz MRDQQIXMBPAFGI-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001237083189 1099960414 /nfs/dbraw/zinc/96/04/14/1099960414.db2.gz WYQHBDGTWOGAFJ-IBGZPJMESA-N 2 2 317.477 3.354 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001237083189 1099960422 /nfs/dbraw/zinc/96/04/22/1099960422.db2.gz WYQHBDGTWOGAFJ-IBGZPJMESA-N 2 2 317.477 3.354 20 0 DGADLP C[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000156622275 1099960454 /nfs/dbraw/zinc/96/04/54/1099960454.db2.gz KSGSIHVQSNLBNA-WMZOPIPTSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000156622142 1099960655 /nfs/dbraw/zinc/96/06/55/1099960655.db2.gz KSGSIHVQSNLBNA-AEFFLSMTSA-N 2 2 301.478 3.462 20 0 DGADLP COc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001237155580 1100005530 /nfs/dbraw/zinc/00/55/30/1100005530.db2.gz SLJNJBMTZQOOGD-HNNXBMFYSA-N 2 2 308.853 3.455 20 0 DGADLP COc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001237155580 1100005540 /nfs/dbraw/zinc/00/55/40/1100005540.db2.gz SLJNJBMTZQOOGD-HNNXBMFYSA-N 2 2 308.853 3.455 20 0 DGADLP Cn1ccc(-c2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC001237159952 1100009744 /nfs/dbraw/zinc/00/97/44/1100009744.db2.gz FYRDUGGEQCCRGM-LJQANCHMSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1ccc(-c2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC001237159952 1100009753 /nfs/dbraw/zinc/00/97/53/1100009753.db2.gz FYRDUGGEQCCRGM-LJQANCHMSA-N 2 2 324.472 3.194 20 0 DGADLP [NH3+][C@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)CC12COC2 ZINC001237175308 1100015652 /nfs/dbraw/zinc/01/56/52/1100015652.db2.gz IEHDIFISOMSAEO-KRWDZBQOSA-N 2 2 324.449 3.214 20 0 DGADLP [NH3+][C@H]1C[N@@H+](Cc2cccc3c4ccccc4sc32)CC12COC2 ZINC001237175308 1100015657 /nfs/dbraw/zinc/01/56/57/1100015657.db2.gz IEHDIFISOMSAEO-KRWDZBQOSA-N 2 2 324.449 3.214 20 0 DGADLP Fc1cc2c(cc1F)C[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001237191627 1100025817 /nfs/dbraw/zinc/02/58/17/1100025817.db2.gz PFPAOCGHFRTETK-UHFFFAOYSA-N 2 2 314.379 3.169 20 0 DGADLP Fc1cc2c(cc1F)C[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001237191627 1100025822 /nfs/dbraw/zinc/02/58/22/1100025822.db2.gz PFPAOCGHFRTETK-UHFFFAOYSA-N 2 2 314.379 3.169 20 0 DGADLP Fc1cccc(CC[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237299771 1100068317 /nfs/dbraw/zinc/06/83/17/1100068317.db2.gz IPOLYCMUOKIFHX-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP Fc1cccc(CC[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)c1 ZINC001237299771 1100068322 /nfs/dbraw/zinc/06/83/22/1100068322.db2.gz IPOLYCMUOKIFHX-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CCNc4ccccc43)CC2)c(C)[nH+]1 ZINC001237320025 1100074099 /nfs/dbraw/zinc/07/40/99/1100074099.db2.gz FTRZTUNGPUYHGG-UHFFFAOYSA-N 2 2 310.445 3.376 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237338996 1100084942 /nfs/dbraw/zinc/08/49/42/1100084942.db2.gz XDAFDJUHFZPXQW-UHFFFAOYSA-N 2 2 321.465 3.417 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237338996 1100084946 /nfs/dbraw/zinc/08/49/46/1100084946.db2.gz XDAFDJUHFZPXQW-UHFFFAOYSA-N 2 2 321.465 3.417 20 0 DGADLP Brc1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237376704 1100099037 /nfs/dbraw/zinc/09/90/37/1100099037.db2.gz RYHNZUCYGJWEOV-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237376704 1100099047 /nfs/dbraw/zinc/09/90/47/1100099047.db2.gz RYHNZUCYGJWEOV-HOCLYGCPSA-N 2 2 323.278 3.066 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382699 1100100881 /nfs/dbraw/zinc/10/08/81/1100100881.db2.gz MSSPAHMBTIFSOB-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382699 1100100882 /nfs/dbraw/zinc/10/08/82/1100100882.db2.gz MSSPAHMBTIFSOB-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1OCC ZINC001237390994 1100107448 /nfs/dbraw/zinc/10/74/48/1100107448.db2.gz JMLNJQYRYVIRTR-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1OCC ZINC001237390994 1100107451 /nfs/dbraw/zinc/10/74/51/1100107451.db2.gz JMLNJQYRYVIRTR-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237395111 1100108942 /nfs/dbraw/zinc/10/89/42/1100108942.db2.gz XDAHFLLRYHESAR-CJNGLKHVSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237395111 1100108947 /nfs/dbraw/zinc/10/89/47/1100108947.db2.gz XDAHFLLRYHESAR-CJNGLKHVSA-N 2 2 323.278 3.331 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237394425 1100109494 /nfs/dbraw/zinc/10/94/94/1100109494.db2.gz VKLKGEPKAJQNGS-IRXDYDNUSA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(C)C ZINC001237394425 1100109497 /nfs/dbraw/zinc/10/94/97/1100109497.db2.gz VKLKGEPKAJQNGS-IRXDYDNUSA-N 2 2 318.461 3.056 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1Br ZINC001237404709 1100112674 /nfs/dbraw/zinc/11/26/74/1100112674.db2.gz OYQKMJGQBPGFEL-UKRRQHHQSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1Br ZINC001237404709 1100112678 /nfs/dbraw/zinc/11/26/78/1100112678.db2.gz OYQKMJGQBPGFEL-UKRRQHHQSA-N 2 2 323.278 3.331 20 0 DGADLP Clc1ccnc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc12 ZINC001237417626 1100121868 /nfs/dbraw/zinc/12/18/68/1100121868.db2.gz VDSMBKZIACYTMS-WMLDXEAASA-N 2 2 315.848 3.462 20 0 DGADLP Clc1ccnc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc12 ZINC001237417626 1100121872 /nfs/dbraw/zinc/12/18/72/1100121872.db2.gz VDSMBKZIACYTMS-WMLDXEAASA-N 2 2 315.848 3.462 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccn2nccc2c1 ZINC001237544256 1100166554 /nfs/dbraw/zinc/16/65/54/1100166554.db2.gz GGEYUKBQPNJFAR-UHFFFAOYSA-N 2 2 317.396 3.152 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2ccccn2)n1 ZINC001237832529 1100263255 /nfs/dbraw/zinc/26/32/55/1100263255.db2.gz QKVUVBCHRRLAJV-UHFFFAOYSA-N 2 2 310.445 3.061 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(-c2ccccn2)n1 ZINC001237832529 1100263262 /nfs/dbraw/zinc/26/32/62/1100263262.db2.gz QKVUVBCHRRLAJV-UHFFFAOYSA-N 2 2 310.445 3.061 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC001237880972 1100279842 /nfs/dbraw/zinc/27/98/42/1100279842.db2.gz LPRGZJDTEFSDQL-UHFFFAOYSA-N 3 2 313.489 3.214 20 0 DGADLP O=C(c1ccccc1)C1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238104377 1100361982 /nfs/dbraw/zinc/36/19/82/1100361982.db2.gz UZVQJKJRIKYGRM-UHFFFAOYSA-N 2 2 319.408 3.429 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]CCCCF)(C1)CCC2 ZINC001278205139 1100400434 /nfs/dbraw/zinc/40/04/34/1100400434.db2.gz ARJFYXOPUAWEKO-MSOLQXFVSA-N 2 2 322.472 3.177 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)c(OC(C)C)c3)C[C@H]2C1 ZINC001238465038 1100451073 /nfs/dbraw/zinc/45/10/73/1100451073.db2.gz PUGPVDMERKMOES-IAGOWNOFSA-N 2 2 320.452 3.387 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC001238491482 1100457810 /nfs/dbraw/zinc/45/78/10/1100457810.db2.gz DZIIXRIVLHWTLE-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC001238491482 1100457811 /nfs/dbraw/zinc/45/78/11/1100457811.db2.gz DZIIXRIVLHWTLE-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCCCOc1ncc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC001238491482 1100457815 /nfs/dbraw/zinc/45/78/15/1100457815.db2.gz DZIIXRIVLHWTLE-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCCCOc1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001238491482 1100457820 /nfs/dbraw/zinc/45/78/20/1100457820.db2.gz DZIIXRIVLHWTLE-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001238717218 1100511008 /nfs/dbraw/zinc/51/10/08/1100511008.db2.gz ANRZXBUHWHAFOJ-MRXNPFEDSA-N 2 2 315.442 3.160 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001238717218 1100511013 /nfs/dbraw/zinc/51/10/13/1100511013.db2.gz ANRZXBUHWHAFOJ-MRXNPFEDSA-N 2 2 315.442 3.160 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001192271001 1100596760 /nfs/dbraw/zinc/59/67/60/1100596760.db2.gz ASZOJGHWROFGRD-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC001192271001 1100596764 /nfs/dbraw/zinc/59/67/64/1100596764.db2.gz ASZOJGHWROFGRD-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)Oc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001239959947 1100812598 /nfs/dbraw/zinc/81/25/98/1100812598.db2.gz GIKSRPIQKLEODF-UHFFFAOYSA-N 2 2 307.397 3.475 20 0 DGADLP Fc1ccc2[nH]ccc2c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001240215256 1100896879 /nfs/dbraw/zinc/89/68/79/1100896879.db2.gz HXMUOKNYPKKBBB-UHFFFAOYSA-N 2 2 306.344 3.309 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(C(F)(F)F)nc2)C1 ZINC001240272407 1100918592 /nfs/dbraw/zinc/91/85/92/1100918592.db2.gz NXVOMWALTOAXCI-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C(F)(F)F)nc2)C1 ZINC001240272407 1100918598 /nfs/dbraw/zinc/91/85/98/1100918598.db2.gz NXVOMWALTOAXCI-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccnc(C(F)(F)F)c2)C1 ZINC001240342202 1100949587 /nfs/dbraw/zinc/94/95/87/1100949587.db2.gz ZQNYNPIXPFIEOO-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccnc(C(F)(F)F)c2)C1 ZINC001240342202 1100949589 /nfs/dbraw/zinc/94/95/89/1100949589.db2.gz ZQNYNPIXPFIEOO-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP Nc1cn2ccc(C3=CCC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001240386564 1100971252 /nfs/dbraw/zinc/97/12/52/1100971252.db2.gz CSYRCKSQJUWTSL-UHFFFAOYSA-N 2 2 304.397 3.206 20 0 DGADLP Nc1cn2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001240386564 1100971262 /nfs/dbraw/zinc/97/12/62/1100971262.db2.gz CSYRCKSQJUWTSL-UHFFFAOYSA-N 2 2 304.397 3.206 20 0 DGADLP Cc1nn(C)c2ccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001240462167 1101007274 /nfs/dbraw/zinc/00/72/74/1101007274.db2.gz AWMDSWXKZQVVLC-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2ccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001240462167 1101007282 /nfs/dbraw/zinc/00/72/82/1101007282.db2.gz AWMDSWXKZQVVLC-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1cc2cc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cnc2[nH]1 ZINC001240488369 1101017192 /nfs/dbraw/zinc/01/71/92/1101017192.db2.gz PDUKJBRRFKMXPZ-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2cc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cnc2[nH]1 ZINC001240488369 1101017199 /nfs/dbraw/zinc/01/71/99/1101017199.db2.gz PDUKJBRRFKMXPZ-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(N4CCCC4)cc3)cc2)C1 ZINC001240590995 1101064549 /nfs/dbraw/zinc/06/45/49/1101064549.db2.gz ANJOFTFMTZQXJC-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(N4CCCC4)cc3)cc2)C1 ZINC001240590995 1101064556 /nfs/dbraw/zinc/06/45/56/1101064556.db2.gz ANJOFTFMTZQXJC-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(c2)CCCO3)C1 ZINC001240774883 1101133229 /nfs/dbraw/zinc/13/32/29/1101133229.db2.gz MPYNGWYSLGRVIA-GOSISDBHSA-N 2 2 308.425 3.212 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(c2)CCCO3)C1 ZINC001240774883 1101133235 /nfs/dbraw/zinc/13/32/35/1101133235.db2.gz MPYNGWYSLGRVIA-GOSISDBHSA-N 2 2 308.425 3.212 20 0 DGADLP Cc1c[nH]c2ncc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001240963240 1101199424 /nfs/dbraw/zinc/19/94/24/1101199424.db2.gz NRTYJROKQDIDEQ-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c[nH]c2ncc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001240963240 1101199428 /nfs/dbraw/zinc/19/94/28/1101199428.db2.gz NRTYJROKQDIDEQ-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP COc1cccc(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241014750 1101220689 /nfs/dbraw/zinc/22/06/89/1101220689.db2.gz IOSNDMSBHUHONO-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cccc(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241014750 1101220696 /nfs/dbraw/zinc/22/06/96/1101220696.db2.gz IOSNDMSBHUHONO-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP CCOc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1F ZINC001241069132 1101240652 /nfs/dbraw/zinc/24/06/52/1101240652.db2.gz FWAPKSWEKLANIX-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP CCOc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001241069735 1101241704 /nfs/dbraw/zinc/24/17/04/1101241704.db2.gz BBGYIWWKVLYTFY-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001241069735 1101241706 /nfs/dbraw/zinc/24/17/06/1101241706.db2.gz BBGYIWWKVLYTFY-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001241170195 1101283866 /nfs/dbraw/zinc/28/38/66/1101283866.db2.gz XBRIOXQDTVCURA-MRXNPFEDSA-N 2 2 306.413 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001241170195 1101283869 /nfs/dbraw/zinc/28/38/69/1101283869.db2.gz XBRIOXQDTVCURA-MRXNPFEDSA-N 2 2 306.413 3.449 20 0 DGADLP CCOc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001241266971 1101334340 /nfs/dbraw/zinc/33/43/40/1101334340.db2.gz MQWVZNNDPROXDM-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001241266971 1101334352 /nfs/dbraw/zinc/33/43/52/1101334352.db2.gz MQWVZNNDPROXDM-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241320832 1101376522 /nfs/dbraw/zinc/37/65/22/1101376522.db2.gz MCUXSWCWPDOSPL-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241320832 1101376537 /nfs/dbraw/zinc/37/65/37/1101376537.db2.gz MCUXSWCWPDOSPL-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP Oc1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001203860412 1101397741 /nfs/dbraw/zinc/39/77/41/1101397741.db2.gz FXCWKMGAKDJYEZ-UHFFFAOYSA-N 2 2 300.446 3.233 20 0 DGADLP Oc1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001203860412 1101397754 /nfs/dbraw/zinc/39/77/54/1101397754.db2.gz FXCWKMGAKDJYEZ-UHFFFAOYSA-N 2 2 300.446 3.233 20 0 DGADLP Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203861190 1101409805 /nfs/dbraw/zinc/40/98/05/1101409805.db2.gz RMUKIPNZDAGYBO-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP Oc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203861190 1101409812 /nfs/dbraw/zinc/40/98/12/1101409812.db2.gz RMUKIPNZDAGYBO-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP Oc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203861190 1101409816 /nfs/dbraw/zinc/40/98/16/1101409816.db2.gz RMUKIPNZDAGYBO-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203861190 1101409823 /nfs/dbraw/zinc/40/98/23/1101409823.db2.gz RMUKIPNZDAGYBO-IYBDPMFKSA-N 2 2 314.454 3.018 20 0 DGADLP Cc1n[nH]c2cc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)ccc12 ZINC001241641429 1101602853 /nfs/dbraw/zinc/60/28/53/1101602853.db2.gz QIHIZQVFJBZAKO-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2cc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)ccc12 ZINC001241641429 1101602863 /nfs/dbraw/zinc/60/28/63/1101602863.db2.gz QIHIZQVFJBZAKO-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP C[N@@H+]1CCc2oc(-c3ccc(C4=C[C@H]5CC[C@@H](C4)[NH2+]5)cc3)nc2C1 ZINC001242027705 1101864610 /nfs/dbraw/zinc/86/46/10/1101864610.db2.gz HGYQSVXCTSAJAH-SJORKVTESA-N 2 2 321.424 3.237 20 0 DGADLP C[N@H+]1CCc2oc(-c3ccc(C4=C[C@H]5CC[C@@H](C4)[NH2+]5)cc3)nc2C1 ZINC001242027705 1101864627 /nfs/dbraw/zinc/86/46/27/1101864627.db2.gz HGYQSVXCTSAJAH-SJORKVTESA-N 2 2 321.424 3.237 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc4cnccc4c3)ccn12 ZINC001242243486 1102004879 /nfs/dbraw/zinc/00/48/79/1102004879.db2.gz MMHKZWNSQRIRLI-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242307258 1102043679 /nfs/dbraw/zinc/04/36/79/1102043679.db2.gz HRJHTVLDZWJVLE-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242307258 1102043690 /nfs/dbraw/zinc/04/36/90/1102043690.db2.gz HRJHTVLDZWJVLE-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP COc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1F ZINC001199079009 1102059944 /nfs/dbraw/zinc/05/99/44/1102059944.db2.gz ZALHJODYINYIRR-UHFFFAOYSA-N 2 2 317.389 3.371 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001199208686 1102083594 /nfs/dbraw/zinc/08/35/94/1102083594.db2.gz SLVHVLNTUFJIBZ-LBPRGKRZSA-N 2 2 313.323 3.003 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4ccncc43)cc2)C1 ZINC001242372255 1102085787 /nfs/dbraw/zinc/08/57/87/1102085787.db2.gz FXXAHXVKRPPHKZ-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4ccncc43)cc2)C1 ZINC001242372255 1102085800 /nfs/dbraw/zinc/08/58/00/1102085800.db2.gz FXXAHXVKRPPHKZ-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(OC(F)F)cc2)C1 ZINC001242441527 1102135750 /nfs/dbraw/zinc/13/57/50/1102135750.db2.gz BGWKQUOEKDVTEU-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(OC(F)F)cc2)C1 ZINC001242441527 1102135757 /nfs/dbraw/zinc/13/57/57/1102135757.db2.gz BGWKQUOEKDVTEU-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)F)cc3)c2)C1 ZINC001242442167 1102136289 /nfs/dbraw/zinc/13/62/89/1102136289.db2.gz ZHMOKYBUWUQILJ-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)F)cc3)c2)C1 ZINC001242442167 1102136295 /nfs/dbraw/zinc/13/62/95/1102136295.db2.gz ZHMOKYBUWUQILJ-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC001242776851 1102334371 /nfs/dbraw/zinc/33/43/71/1102334371.db2.gz RDYJETHRXCPKRG-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC001242776851 1102334380 /nfs/dbraw/zinc/33/43/80/1102334380.db2.gz RDYJETHRXCPKRG-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc(OC4CC4)c3)ccn12 ZINC001242806483 1102356170 /nfs/dbraw/zinc/35/61/70/1102356170.db2.gz YYHJDPLIGIUBKI-UHFFFAOYSA-N 2 2 305.381 3.229 20 0 DGADLP COc1c(F)cc(F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242810068 1102357458 /nfs/dbraw/zinc/35/74/58/1102357458.db2.gz CTUAKURUQWVSOZ-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242810068 1102357465 /nfs/dbraw/zinc/35/74/65/1102357465.db2.gz CTUAKURUQWVSOZ-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cs1 ZINC001205904410 1102449994 /nfs/dbraw/zinc/44/99/94/1102449994.db2.gz UXXCAUZEIBNCPO-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cs1 ZINC001205904410 1102449999 /nfs/dbraw/zinc/44/99/99/1102449999.db2.gz UXXCAUZEIBNCPO-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)s1 ZINC001205903890 1102456591 /nfs/dbraw/zinc/45/65/91/1102456591.db2.gz RWBBOFISHPZBBK-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)s1 ZINC001205903890 1102456599 /nfs/dbraw/zinc/45/65/99/1102456599.db2.gz RWBBOFISHPZBBK-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP CCOC(=O)c1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001243040622 1102490786 /nfs/dbraw/zinc/49/07/86/1102490786.db2.gz GGBHPXKXANDLGV-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001243040622 1102490794 /nfs/dbraw/zinc/49/07/94/1102490794.db2.gz GGBHPXKXANDLGV-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP C[C@@H]([NH3+])c1ccc(-c2cc(F)ccc2C[NH+]2CCOCC2)cc1 ZINC001243101585 1102525129 /nfs/dbraw/zinc/52/51/29/1102525129.db2.gz LLYWLXQSYJKQRM-CQSZACIVSA-N 2 2 314.404 3.345 20 0 DGADLP C[C@@H]([NH3+])c1ccccc1-c1cc(F)ccc1C[NH+]1CCOCC1 ZINC001243103610 1102527239 /nfs/dbraw/zinc/52/72/39/1102527239.db2.gz ZZMMSNSDOGJHAP-CQSZACIVSA-N 2 2 314.404 3.345 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417797 1102585071 /nfs/dbraw/zinc/58/50/71/1102585071.db2.gz WWFRSWWVUFPGPX-ULQDDVLXSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417797 1102585082 /nfs/dbraw/zinc/58/50/82/1102585082.db2.gz WWFRSWWVUFPGPX-ULQDDVLXSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417797 1102585089 /nfs/dbraw/zinc/58/50/89/1102585089.db2.gz WWFRSWWVUFPGPX-ULQDDVLXSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417797 1102585098 /nfs/dbraw/zinc/58/50/98/1102585098.db2.gz WWFRSWWVUFPGPX-ULQDDVLXSA-N 2 2 317.502 3.396 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201542631 1102630345 /nfs/dbraw/zinc/63/03/45/1102630345.db2.gz KWMQSJRDZGJOHC-HNNXBMFYSA-N 2 2 306.498 3.320 20 0 DGADLP CCC[C@H](C)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201542631 1102630353 /nfs/dbraw/zinc/63/03/53/1102630353.db2.gz KWMQSJRDZGJOHC-HNNXBMFYSA-N 2 2 306.498 3.320 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243486971 1102751386 /nfs/dbraw/zinc/75/13/86/1102751386.db2.gz PQHGCANYPGHILQ-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243486971 1102751399 /nfs/dbraw/zinc/75/13/99/1102751399.db2.gz PQHGCANYPGHILQ-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP c1cn(Cc2ccc(-c3ccc(O[C@@H]4CC[NH2+]C4)cc3)cc2)c[nH+]1 ZINC001243661471 1102893991 /nfs/dbraw/zinc/89/39/91/1102893991.db2.gz CSEGPSBWKVAZHO-HXUWFJFHSA-N 2 2 319.408 3.339 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001325876541 1103144970 /nfs/dbraw/zinc/14/49/70/1103144970.db2.gz BFCOUOPKIRSWNA-CHWSQXEVSA-N 2 2 302.353 3.043 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001326075428 1103202425 /nfs/dbraw/zinc/20/24/25/1103202425.db2.gz NYZPLUGZJRUJPZ-ZDUSSCGKSA-N 2 2 307.869 3.170 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2N2CCCC2)C1 ZINC001244182493 1103261521 /nfs/dbraw/zinc/26/15/21/1103261521.db2.gz KMYNSSCRFNLVBB-SFHVURJKSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2N2CCCC2)C1 ZINC001244182493 1103261530 /nfs/dbraw/zinc/26/15/30/1103261530.db2.gz KMYNSSCRFNLVBB-SFHVURJKSA-N 2 2 321.468 3.487 20 0 DGADLP CC(C)c1ccc(N)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001244213715 1103282992 /nfs/dbraw/zinc/28/29/92/1103282992.db2.gz FCYZOGKRFWXEBJ-UHFFFAOYSA-N 2 2 306.413 3.394 20 0 DGADLP CC[C@H](CC(F)F)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001326745545 1103426941 /nfs/dbraw/zinc/42/69/41/1103426941.db2.gz RNBWDRFQQMBFMW-LLVKDONJSA-N 2 2 308.332 3.196 20 0 DGADLP CC(C)=CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001326859940 1103463934 /nfs/dbraw/zinc/46/39/34/1103463934.db2.gz XDVGMGLBOUKMHG-UHFFFAOYSA-N 2 2 315.461 3.215 20 0 DGADLP COc1c(C)ccc(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244528427 1103500223 /nfs/dbraw/zinc/50/02/23/1103500223.db2.gz UPSJCJOHPPHKCC-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP COc1c(C)ccc(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244528427 1103500233 /nfs/dbraw/zinc/50/02/33/1103500233.db2.gz UPSJCJOHPPHKCC-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3CO)cc2)C1 ZINC001244576741 1103534524 /nfs/dbraw/zinc/53/45/24/1103534524.db2.gz SIRGEZKBXDIVLR-HNNXBMFYSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3CO)cc2)C1 ZINC001244576741 1103534532 /nfs/dbraw/zinc/53/45/32/1103534532.db2.gz SIRGEZKBXDIVLR-HNNXBMFYSA-N 2 2 316.832 3.032 20 0 DGADLP Fc1cc(C[NH2+]Cc2cccn2C2CC2)ccc1-n1cc[nH+]c1 ZINC001327946437 1103775358 /nfs/dbraw/zinc/77/53/58/1103775358.db2.gz RFJINWURHNTQMM-UHFFFAOYSA-N 2 2 310.376 3.438 20 0 DGADLP COCc1csc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001328199091 1103872395 /nfs/dbraw/zinc/87/23/95/1103872395.db2.gz ZPPBHEPZKVSQQX-AWEZNQCLSA-N 2 2 319.474 3.083 20 0 DGADLP COCc1csc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001328199091 1103872409 /nfs/dbraw/zinc/87/24/09/1103872409.db2.gz ZPPBHEPZKVSQQX-AWEZNQCLSA-N 2 2 319.474 3.083 20 0 DGADLP CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001137078001 1103959205 /nfs/dbraw/zinc/95/92/05/1103959205.db2.gz SLFFMYYKJAPFBL-GOSISDBHSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001137078001 1103959212 /nfs/dbraw/zinc/95/92/12/1103959212.db2.gz SLFFMYYKJAPFBL-GOSISDBHSA-N 2 2 304.482 3.304 20 0 DGADLP Cc1cc2c[nH+]c(-c3ccc(OCCC[NH+](C)C)cc3)nc2[nH]1 ZINC001245335778 1103990521 /nfs/dbraw/zinc/99/05/21/1103990521.db2.gz UYOIQGCBYWFKPO-UHFFFAOYSA-N 2 2 310.401 3.215 20 0 DGADLP Cc1cccc2[nH]c(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc21 ZINC001245344969 1103996323 /nfs/dbraw/zinc/99/63/23/1103996323.db2.gz RWRSPMMWCFRPMQ-UHFFFAOYSA-N 2 2 302.381 3.478 20 0 DGADLP Cc1cc(N2CCOCC2)[nH+]cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245350670 1103999435 /nfs/dbraw/zinc/99/94/35/1103999435.db2.gz NWQMXBPPVOBXMF-LJQANCHMSA-N 2 2 323.440 3.318 20 0 DGADLP C[N@H+](Cc1ccc2cccc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC001137220148 1104163939 /nfs/dbraw/zinc/16/39/39/1104163939.db2.gz UVLMBRMNCKZLEA-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP C[N@@H+](Cc1ccc2cccc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC001137220148 1104163943 /nfs/dbraw/zinc/16/39/43/1104163943.db2.gz UVLMBRMNCKZLEA-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157078 1104173131 /nfs/dbraw/zinc/17/31/31/1104173131.db2.gz VMITUHZMHOBVCD-BZSNNMDCSA-N 2 2 319.468 3.033 20 0 DGADLP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157078 1104173133 /nfs/dbraw/zinc/17/31/33/1104173133.db2.gz VMITUHZMHOBVCD-BZSNNMDCSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157078 1104173138 /nfs/dbraw/zinc/17/31/38/1104173138.db2.gz VMITUHZMHOBVCD-BZSNNMDCSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC001329157078 1104173142 /nfs/dbraw/zinc/17/31/42/1104173142.db2.gz VMITUHZMHOBVCD-BZSNNMDCSA-N 2 2 319.468 3.033 20 0 DGADLP Oc1ccc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1Cl ZINC001245831631 1104256918 /nfs/dbraw/zinc/25/69/18/1104256918.db2.gz BYVNGEJCOKLDFR-UHFFFAOYSA-N 2 2 317.751 3.186 20 0 DGADLP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504256 1104290476 /nfs/dbraw/zinc/29/04/76/1104290476.db2.gz ZKIXPMRYXFVRJN-IUODEOHRSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504256 1104290481 /nfs/dbraw/zinc/29/04/81/1104290481.db2.gz ZKIXPMRYXFVRJN-IUODEOHRSA-N 2 2 305.466 3.103 20 0 DGADLP C[N@H+](Cc1sc2ccccc2c1Cl)C[C@@]1(O)CCC[NH2+]C1 ZINC001246045050 1104357657 /nfs/dbraw/zinc/35/76/57/1104357657.db2.gz IHBHZKFVBRSIOR-MRXNPFEDSA-N 2 2 324.877 3.101 20 0 DGADLP C[N@@H+](Cc1sc2ccccc2c1Cl)C[C@@]1(O)CCC[NH2+]C1 ZINC001246045050 1104357668 /nfs/dbraw/zinc/35/76/68/1104357668.db2.gz IHBHZKFVBRSIOR-MRXNPFEDSA-N 2 2 324.877 3.101 20 0 DGADLP CCCCC[C@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246066948 1104363319 /nfs/dbraw/zinc/36/33/19/1104363319.db2.gz URTAVXHNJSDQQQ-SFHVURJKSA-N 2 2 316.489 3.065 20 0 DGADLP CCC[C@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246070694 1104363865 /nfs/dbraw/zinc/36/38/65/1104363865.db2.gz URLRMTZJKHPMNQ-INIZCTEOSA-N 2 2 310.869 3.055 20 0 DGADLP CCC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246070694 1104363874 /nfs/dbraw/zinc/36/38/74/1104363874.db2.gz URLRMTZJKHPMNQ-INIZCTEOSA-N 2 2 310.869 3.055 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246074266 1104367695 /nfs/dbraw/zinc/36/76/95/1104367695.db2.gz BYDZARHQUHWOTP-MAUKXSAKSA-N 2 2 302.368 3.112 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC001329735225 1104374336 /nfs/dbraw/zinc/37/43/36/1104374336.db2.gz LBRLZXQBRHNWEP-CQSZACIVSA-N 2 2 309.885 3.228 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001329735225 1104374348 /nfs/dbraw/zinc/37/43/48/1104374348.db2.gz LBRLZXQBRHNWEP-CQSZACIVSA-N 2 2 309.885 3.228 20 0 DGADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246086570 1104378018 /nfs/dbraw/zinc/37/80/18/1104378018.db2.gz DOHAJJPHMFCQSQ-YLJYHZDGSA-N 2 2 324.468 3.175 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c(F)c1 ZINC001246101001 1104385898 /nfs/dbraw/zinc/38/58/98/1104385898.db2.gz WFNCDWQQEZTZJO-QZTJIDSGSA-N 2 2 316.395 3.418 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c(F)c1 ZINC001246100998 1104386480 /nfs/dbraw/zinc/38/64/80/1104386480.db2.gz WFNCDWQQEZTZJO-MSOLQXFVSA-N 2 2 316.395 3.418 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246113981 1104393223 /nfs/dbraw/zinc/39/32/23/1104393223.db2.gz OSDMQIQZNDHQOL-BLLLJJGKSA-N 2 2 316.823 3.482 20 0 DGADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@H]2CSc3ccccc3C2)cc1 ZINC001246146341 1104406053 /nfs/dbraw/zinc/40/60/53/1104406053.db2.gz ZZDWGSVFHYAXFQ-LMMKCTJWSA-N 2 2 310.466 3.396 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246149229 1104407370 /nfs/dbraw/zinc/40/73/70/1104407370.db2.gz UDKPMLMPELUDFM-RISCZKNCSA-N 2 2 302.846 3.112 20 0 DGADLP C([NH2+][C@@H]1CCCC2(CCCCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152794 1104408727 /nfs/dbraw/zinc/40/87/27/1104408727.db2.gz ZVWJJDLYHKFRCX-MSOLQXFVSA-N 3 2 319.537 3.343 20 0 DGADLP C([NH2+][C@H]1CCCC2(CCCCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152799 1104408748 /nfs/dbraw/zinc/40/87/48/1104408748.db2.gz ZVWJJDLYHKFRCX-ROUUACIJSA-N 3 2 319.537 3.343 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)CC2 ZINC001246173103 1104421032 /nfs/dbraw/zinc/42/10/32/1104421032.db2.gz ZMJODXJVQJQEII-KRWDZBQOSA-N 2 2 316.395 3.202 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246221245 1104443622 /nfs/dbraw/zinc/44/36/22/1104443622.db2.gz JSJQDXVCMFZSFL-VXGBXAGGSA-N 2 2 320.330 3.345 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC001246253480 1104461197 /nfs/dbraw/zinc/46/11/97/1104461197.db2.gz MMHNPNRKVAMQIJ-NEPJUHHUSA-N 2 2 311.267 3.414 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C[NH2+]1 ZINC001246264360 1104465836 /nfs/dbraw/zinc/46/58/36/1104465836.db2.gz KKOGOZPFVJWMLE-YVLXSGLVSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C[NH2+]1 ZINC001246285216 1104473844 /nfs/dbraw/zinc/47/38/44/1104473844.db2.gz GTJIFDKZKUPTSV-GXFFZTMASA-N 2 2 312.339 3.098 20 0 DGADLP CC[C@H]1CC([NH2+]Cc2ccc(Br)o2)C[C@H](CC)[NH2+]1 ZINC001246324136 1104489819 /nfs/dbraw/zinc/48/98/19/1104489819.db2.gz FOVIXCHHSHGLIF-QWRGUYRKSA-N 2 2 315.255 3.441 20 0 DGADLP CC[C@@H]1CC([N@@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246336814 1104497645 /nfs/dbraw/zinc/49/76/45/1104497645.db2.gz QDBQTEITARJMPZ-QXAKKESOSA-N 3 2 317.521 3.393 20 0 DGADLP CC[C@@H]1CC([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246336814 1104497650 /nfs/dbraw/zinc/49/76/50/1104497650.db2.gz QDBQTEITARJMPZ-QXAKKESOSA-N 3 2 317.521 3.393 20 0 DGADLP Clc1cccc(CN2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246360387 1104507386 /nfs/dbraw/zinc/50/73/86/1104507386.db2.gz QOXPCTDIEVJMLZ-SFHVURJKSA-N 2 2 321.896 3.036 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246367759 1104511725 /nfs/dbraw/zinc/51/17/25/1104511725.db2.gz MVLDHZVFQLJXMR-WMLDXEAASA-N 2 2 317.477 3.269 20 0 DGADLP C[C@H]1CC[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407883 1104528552 /nfs/dbraw/zinc/52/85/52/1104528552.db2.gz VGGNSRZAYQHDLP-DSLXNQLJSA-N 3 2 307.526 3.279 20 0 DGADLP C[C@H]1CC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407883 1104528562 /nfs/dbraw/zinc/52/85/62/1104528562.db2.gz VGGNSRZAYQHDLP-DSLXNQLJSA-N 3 2 307.526 3.279 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246440771 1104540195 /nfs/dbraw/zinc/54/01/95/1104540195.db2.gz XIZBQXSZUJLKQX-CJNGLKHVSA-N 2 2 308.853 3.076 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H](C)Cc2ccc(F)cc2)c1 ZINC001246513596 1104572518 /nfs/dbraw/zinc/57/25/18/1104572518.db2.gz YDRRJIOHGZPEEB-FZKQIMNGSA-N 2 2 302.393 3.055 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H](C)Cc2ccccc2F)c1 ZINC001246512389 1104572885 /nfs/dbraw/zinc/57/28/85/1104572885.db2.gz SMGWUPBZYHQVLK-UGSOOPFHSA-N 2 2 302.393 3.055 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC001246512372 1104573007 /nfs/dbraw/zinc/57/30/07/1104573007.db2.gz SMGWUPBZYHQVLK-ACJLOTCBSA-N 2 2 302.393 3.055 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246536191 1104581950 /nfs/dbraw/zinc/58/19/50/1104581950.db2.gz NAJFJRXLRRGEPL-YNVMFWSZSA-N 2 2 309.457 3.422 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246536191 1104581955 /nfs/dbraw/zinc/58/19/55/1104581955.db2.gz NAJFJRXLRRGEPL-YNVMFWSZSA-N 2 2 309.457 3.422 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557679 1104594357 /nfs/dbraw/zinc/59/43/57/1104594357.db2.gz NEOCZLBEHAOOSM-QWRGUYRKSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557679 1104594369 /nfs/dbraw/zinc/59/43/69/1104594369.db2.gz NEOCZLBEHAOOSM-QWRGUYRKSA-N 2 2 320.786 3.326 20 0 DGADLP CC(C)=CCC[C@@H](C)C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001275057020 1104597559 /nfs/dbraw/zinc/59/75/59/1104597559.db2.gz HOCHLSGMOTUGKL-GOSISDBHSA-N 2 2 316.493 3.026 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001246575618 1104601280 /nfs/dbraw/zinc/60/12/80/1104601280.db2.gz INHLRMMATQHIIM-OKZBNKHCSA-N 2 2 306.425 3.060 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001246575618 1104601284 /nfs/dbraw/zinc/60/12/84/1104601284.db2.gz INHLRMMATQHIIM-OKZBNKHCSA-N 2 2 306.425 3.060 20 0 DGADLP CCC[C@@H](C)C[NH+]1CCC2(C[NH+](Cc3nccn3CC)C2)CC1 ZINC001275074101 1104608482 /nfs/dbraw/zinc/60/84/82/1104608482.db2.gz PLKKVBDCJZLZLJ-QGZVFWFLSA-N 2 2 318.509 3.237 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599113 1104616453 /nfs/dbraw/zinc/61/64/53/1104616453.db2.gz QAKUNGNHNZAYCN-DLBZAZTESA-N 2 2 316.445 3.084 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3cc4c(cc3C2)OCO4)CC[NH2+]1 ZINC001246599113 1104616455 /nfs/dbraw/zinc/61/64/55/1104616455.db2.gz QAKUNGNHNZAYCN-DLBZAZTESA-N 2 2 316.445 3.084 20 0 DGADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CNc4ccc(Cl)cc43)CC2)C[NH2+]1 ZINC001246608989 1104624639 /nfs/dbraw/zinc/62/46/39/1104624639.db2.gz YZWUAYIPLINKAO-DZGCQCFKSA-N 2 2 319.880 3.240 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613052 1104628340 /nfs/dbraw/zinc/62/83/40/1104628340.db2.gz KIWZEFUMEXZKCY-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613052 1104628346 /nfs/dbraw/zinc/62/83/46/1104628346.db2.gz KIWZEFUMEXZKCY-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612432 1104628511 /nfs/dbraw/zinc/62/85/11/1104628511.db2.gz WCJGZIXLWRNYSW-LJQANCHMSA-N 3 2 307.526 3.105 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246612432 1104628516 /nfs/dbraw/zinc/62/85/16/1104628516.db2.gz WCJGZIXLWRNYSW-LJQANCHMSA-N 3 2 307.526 3.105 20 0 DGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621678 1104632369 /nfs/dbraw/zinc/63/23/69/1104632369.db2.gz PSEKRSVNGPKWJO-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621678 1104632371 /nfs/dbraw/zinc/63/23/71/1104632371.db2.gz PSEKRSVNGPKWJO-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627288 1104634674 /nfs/dbraw/zinc/63/46/74/1104634674.db2.gz IWZDHBHJHQFHCE-DYVFJYSZSA-N 2 2 310.844 3.486 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246627288 1104634675 /nfs/dbraw/zinc/63/46/75/1104634675.db2.gz IWZDHBHJHQFHCE-DYVFJYSZSA-N 2 2 310.844 3.486 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633091 1104638466 /nfs/dbraw/zinc/63/84/66/1104638466.db2.gz DJBRJBZAGRKCRP-IVMMDQJWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246633091 1104638469 /nfs/dbraw/zinc/63/84/69/1104638469.db2.gz DJBRJBZAGRKCRP-IVMMDQJWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246640469 1104640546 /nfs/dbraw/zinc/64/05/46/1104640546.db2.gz DLJUEJRRLHHGNX-CYBMUJFWSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640469 1104640553 /nfs/dbraw/zinc/64/05/53/1104640553.db2.gz DLJUEJRRLHHGNX-CYBMUJFWSA-N 2 2 323.278 3.208 20 0 DGADLP c1ccc(C2CCC([N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246649878 1104647703 /nfs/dbraw/zinc/64/77/03/1104647703.db2.gz QYXOEQQNFDSQGV-MHJFOBGBSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc(C2CCC([N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246649878 1104647707 /nfs/dbraw/zinc/64/77/07/1104647707.db2.gz QYXOEQQNFDSQGV-MHJFOBGBSA-N 2 2 314.473 3.167 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246664384 1104654526 /nfs/dbraw/zinc/65/45/26/1104654526.db2.gz WHTCQXUUHHEGAO-XNRPHZJLSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246664384 1104654528 /nfs/dbraw/zinc/65/45/28/1104654528.db2.gz WHTCQXUUHHEGAO-XNRPHZJLSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246666390 1104654662 /nfs/dbraw/zinc/65/46/62/1104654662.db2.gz UNWZIIVHEULYHG-SQWLQELKSA-N 2 2 308.491 3.364 20 0 DGADLP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246666390 1104654666 /nfs/dbraw/zinc/65/46/66/1104654666.db2.gz UNWZIIVHEULYHG-SQWLQELKSA-N 2 2 308.491 3.364 20 0 DGADLP COc1ccccc1CC1CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246697411 1104663246 /nfs/dbraw/zinc/66/32/46/1104663246.db2.gz NCBLYMCJRJJJIP-MAUKXSAKSA-N 2 2 302.462 3.090 20 0 DGADLP CC[C@@H]1CC([NH+]2CCN(c3ccccc3F)CC2)C[C@@H](CC)[NH2+]1 ZINC001246779970 1104671065 /nfs/dbraw/zinc/67/10/65/1104671065.db2.gz RLQFXWRTODBJMA-HZPDHXFCSA-N 2 2 319.468 3.257 20 0 DGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784222 1104673622 /nfs/dbraw/zinc/67/36/22/1104673622.db2.gz WFPAYPNHIFKRGL-GJZGRUSLSA-N 2 2 310.869 3.490 20 0 DGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784222 1104673625 /nfs/dbraw/zinc/67/36/25/1104673625.db2.gz WFPAYPNHIFKRGL-GJZGRUSLSA-N 2 2 310.869 3.490 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787754 1104674990 /nfs/dbraw/zinc/67/49/90/1104674990.db2.gz MRHTVZASLLQZKP-QZTJIDSGSA-N 2 2 322.880 3.463 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787754 1104674994 /nfs/dbraw/zinc/67/49/94/1104674994.db2.gz MRHTVZASLLQZKP-QZTJIDSGSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794458 1104679851 /nfs/dbraw/zinc/67/98/51/1104679851.db2.gz ZUFTVRYUFOTSQM-CYBMUJFWSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246794458 1104679852 /nfs/dbraw/zinc/67/98/52/1104679852.db2.gz ZUFTVRYUFOTSQM-CYBMUJFWSA-N 2 2 323.278 3.066 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824919 1104693481 /nfs/dbraw/zinc/69/34/81/1104693481.db2.gz RFVVCWXJZQAUSU-BRWVUGGUSA-N 2 2 308.466 3.446 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824919 1104693484 /nfs/dbraw/zinc/69/34/84/1104693484.db2.gz RFVVCWXJZQAUSU-BRWVUGGUSA-N 2 2 308.466 3.446 20 0 DGADLP Fc1cccc(Cl)c1CC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246825545 1104693529 /nfs/dbraw/zinc/69/35/29/1104693529.db2.gz SXUXGMABSYAZFP-AWEZNQCLSA-N 2 2 310.844 3.486 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+]([C@@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842691 1104702481 /nfs/dbraw/zinc/70/24/81/1104702481.db2.gz UPBVMAOJPHTUDB-IEBWSBKVSA-N 2 2 302.462 3.073 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+]([C@@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842691 1104702493 /nfs/dbraw/zinc/70/24/93/1104702493.db2.gz UPBVMAOJPHTUDB-IEBWSBKVSA-N 2 2 302.462 3.073 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246863662 1104711179 /nfs/dbraw/zinc/71/11/79/1104711179.db2.gz MWRFIGXMENYXSU-RHSMWYFYSA-N 2 2 306.425 3.057 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246866973 1104712972 /nfs/dbraw/zinc/71/29/72/1104712972.db2.gz LOKZCYISMLYEAU-OALUTQOASA-N 2 2 314.473 3.414 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246866973 1104712978 /nfs/dbraw/zinc/71/29/78/1104712978.db2.gz LOKZCYISMLYEAU-OALUTQOASA-N 2 2 314.473 3.414 20 0 DGADLP COc1cccc(C[N@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1OC ZINC001246871678 1104716312 /nfs/dbraw/zinc/71/63/12/1104716312.db2.gz OAHRTITWMQSWIJ-WBVHZDCISA-N 2 2 320.477 3.302 20 0 DGADLP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1OC ZINC001246871678 1104716320 /nfs/dbraw/zinc/71/63/20/1104716320.db2.gz OAHRTITWMQSWIJ-WBVHZDCISA-N 2 2 320.477 3.302 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874210 1104716885 /nfs/dbraw/zinc/71/68/85/1104716885.db2.gz WCSGCSRPUAHOBW-IRXDYDNUSA-N 2 2 320.477 3.446 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2OC)CC[NH2+]1 ZINC001246874210 1104716891 /nfs/dbraw/zinc/71/68/91/1104716891.db2.gz WCSGCSRPUAHOBW-IRXDYDNUSA-N 2 2 320.477 3.446 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC[NH2+]CCC1 ZINC001246905848 1104730469 /nfs/dbraw/zinc/73/04/69/1104730469.db2.gz OFKFCZDQVOULFO-ZDUSSCGKSA-N 2 2 311.267 3.066 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917037 1104735743 /nfs/dbraw/zinc/73/57/43/1104735743.db2.gz VGTGNOHRPZRKDQ-VAMGGRTRSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917037 1104735749 /nfs/dbraw/zinc/73/57/49/1104735749.db2.gz VGTGNOHRPZRKDQ-VAMGGRTRSA-N 2 2 316.489 3.241 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246935285 1104743020 /nfs/dbraw/zinc/74/30/20/1104743020.db2.gz LREKKKOMDHKBJI-GBESFXJTSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246935285 1104743023 /nfs/dbraw/zinc/74/30/23/1104743023.db2.gz LREKKKOMDHKBJI-GBESFXJTSA-N 2 2 320.452 3.337 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246940624 1104745860 /nfs/dbraw/zinc/74/58/60/1104745860.db2.gz JHVGBSBNNGVTHX-VQTJNVASSA-N 3 2 317.521 3.013 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246940624 1104745866 /nfs/dbraw/zinc/74/58/66/1104745866.db2.gz JHVGBSBNNGVTHX-VQTJNVASSA-N 3 2 317.521 3.013 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246944653 1104746705 /nfs/dbraw/zinc/74/67/05/1104746705.db2.gz JAIHBHPZCCYCPX-RISCZKNCSA-N 2 2 302.846 3.193 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246944653 1104746709 /nfs/dbraw/zinc/74/67/09/1104746709.db2.gz JAIHBHPZCCYCPX-RISCZKNCSA-N 2 2 302.846 3.193 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246949384 1104749417 /nfs/dbraw/zinc/74/94/17/1104749417.db2.gz OWOSZNQNQOGXKJ-HKUYNNGSSA-N 2 2 319.468 3.259 20 0 DGADLP c1ccc([C@H]2C[C@@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974979 1104758044 /nfs/dbraw/zinc/75/80/44/1104758044.db2.gz LMEWEFDGNGALRP-VQTJNVASSA-N 3 2 313.489 3.086 20 0 DGADLP c1ccc([C@H]2C[C@@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974979 1104758049 /nfs/dbraw/zinc/75/80/49/1104758049.db2.gz LMEWEFDGNGALRP-VQTJNVASSA-N 3 2 313.489 3.086 20 0 DGADLP COC(=O)CCCC[C@@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975225 1104758791 /nfs/dbraw/zinc/75/87/91/1104758791.db2.gz BKBLUSKHJBDCCL-WBVHZDCISA-N 2 2 310.482 3.105 20 0 DGADLP COC(=O)CCCC[C@@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975225 1104758796 /nfs/dbraw/zinc/75/87/96/1104758796.db2.gz BKBLUSKHJBDCCL-WBVHZDCISA-N 2 2 310.482 3.105 20 0 DGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980509 1104760915 /nfs/dbraw/zinc/76/09/15/1104760915.db2.gz RKGWSVJTXCLGQO-NXHRZFHOSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980509 1104760921 /nfs/dbraw/zinc/76/09/21/1104760921.db2.gz RKGWSVJTXCLGQO-NXHRZFHOSA-N 2 2 322.493 3.105 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988458 1104765328 /nfs/dbraw/zinc/76/53/28/1104765328.db2.gz HLQBQVVAEPMHKK-APWZRJJASA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988458 1104765334 /nfs/dbraw/zinc/76/53/34/1104765334.db2.gz HLQBQVVAEPMHKK-APWZRJJASA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001247004124 1104772316 /nfs/dbraw/zinc/77/23/16/1104772316.db2.gz PFKRNRYKCAEAFX-MLGOLLRUSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001247004124 1104772322 /nfs/dbraw/zinc/77/23/22/1104772322.db2.gz PFKRNRYKCAEAFX-MLGOLLRUSA-N 2 2 323.278 3.338 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc3ccc(F)cc13)C2 ZINC001275484771 1104775579 /nfs/dbraw/zinc/77/55/79/1104775579.db2.gz FIEQWPNTJASMQO-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc3ccc(F)cc13)C2 ZINC001275484771 1104775583 /nfs/dbraw/zinc/77/55/83/1104775583.db2.gz FIEQWPNTJASMQO-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1coc3ccc(F)cc13)C2 ZINC001275484771 1104775588 /nfs/dbraw/zinc/77/55/88/1104775588.db2.gz FIEQWPNTJASMQO-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1coc3ccc(F)cc13)C2 ZINC001275484771 1104775590 /nfs/dbraw/zinc/77/55/90/1104775590.db2.gz FIEQWPNTJASMQO-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP Cn1c(CCCC[NH3+])[nH+]c2ccc(OCc3ccccc3)cc21 ZINC001247042247 1104784218 /nfs/dbraw/zinc/78/42/18/1104784218.db2.gz GJBAOBAXWHOWJG-UHFFFAOYSA-N 2 2 309.413 3.434 20 0 DGADLP CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275780907 1104905263 /nfs/dbraw/zinc/90/52/63/1104905263.db2.gz LNPQTBXRGMLEKX-SJORKVTESA-N 2 2 317.477 3.295 20 0 DGADLP [NH3+]C[C@H]1CC[C@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC001247634437 1104945074 /nfs/dbraw/zinc/94/50/74/1104945074.db2.gz SUCBITYKKAMMEK-CTYIDZIISA-N 2 2 323.400 3.155 20 0 DGADLP [NH3+]C1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CCCCCC1 ZINC001247635934 1104946581 /nfs/dbraw/zinc/94/65/81/1104946581.db2.gz VXDOIWIYRBXQMW-UHFFFAOYSA-N 2 2 323.400 3.431 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275895914 1104946772 /nfs/dbraw/zinc/94/67/72/1104946772.db2.gz ZBPRSTNNXXQWMN-UHFFFAOYSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001275895914 1104946776 /nfs/dbraw/zinc/94/67/76/1104946776.db2.gz ZBPRSTNNXXQWMN-UHFFFAOYSA-N 3 2 324.472 3.098 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078500 1105009154 /nfs/dbraw/zinc/00/91/54/1105009154.db2.gz QGIQQEMZXMNNPU-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078500 1105009159 /nfs/dbraw/zinc/00/91/59/1105009159.db2.gz QGIQQEMZXMNNPU-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078500 1105009166 /nfs/dbraw/zinc/00/91/66/1105009166.db2.gz QGIQQEMZXMNNPU-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3ncc(Cl)cc13)C2 ZINC001276078500 1105009172 /nfs/dbraw/zinc/00/91/72/1105009172.db2.gz QGIQQEMZXMNNPU-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP CCCCc1[nH]c(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c[nH+]1 ZINC001276216207 1105051435 /nfs/dbraw/zinc/05/14/35/1105051435.db2.gz ZBJPWKUWSGLFKG-SFHVURJKSA-N 2 2 304.482 3.060 20 0 DGADLP CCCCc1[nH]c(CN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c[nH+]1 ZINC001276216207 1105051440 /nfs/dbraw/zinc/05/14/40/1105051440.db2.gz ZBJPWKUWSGLFKG-SFHVURJKSA-N 2 2 304.482 3.060 20 0 DGADLP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cscn4)(C2)CCC3)c1 ZINC001276280428 1105076092 /nfs/dbraw/zinc/07/60/92/1105076092.db2.gz HVSQRPPROKWATG-DLBZAZTESA-N 2 2 316.474 3.196 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cs1 ZINC001248801979 1105165125 /nfs/dbraw/zinc/16/51/25/1105165125.db2.gz ORWDDWYUNXFGQN-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cs1 ZINC001248801979 1105165129 /nfs/dbraw/zinc/16/51/29/1105165129.db2.gz ORWDDWYUNXFGQN-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cs1 ZINC001248801979 1105165131 /nfs/dbraw/zinc/16/51/31/1105165131.db2.gz ORWDDWYUNXFGQN-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cs1 ZINC001248801979 1105165133 /nfs/dbraw/zinc/16/51/33/1105165133.db2.gz ORWDDWYUNXFGQN-GOSISDBHSA-N 2 2 322.518 3.379 20 0 DGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cnc1Cl ZINC001249935346 1105409746 /nfs/dbraw/zinc/40/97/46/1105409746.db2.gz LSIKLAHQPKMSEE-UHFFFAOYSA-N 2 2 311.857 3.048 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cnc1Cl ZINC001249935346 1105409748 /nfs/dbraw/zinc/40/97/48/1105409748.db2.gz LSIKLAHQPKMSEE-UHFFFAOYSA-N 2 2 311.857 3.048 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2[nH]nc3ccccc32)C2CCCC2)CC1 ZINC001137351666 1105496338 /nfs/dbraw/zinc/49/63/38/1105496338.db2.gz GEFMRBZVWYVYBA-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2[nH]nc3ccccc32)C2CCCC2)CC1 ZINC001137351666 1105496339 /nfs/dbraw/zinc/49/63/39/1105496339.db2.gz GEFMRBZVWYVYBA-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(F)cc4)[nH+]c3c2)CC1 ZINC001250467741 1105519171 /nfs/dbraw/zinc/51/91/71/1105519171.db2.gz DHGGFFLGZMBORH-UHFFFAOYSA-N 2 2 310.376 3.121 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418198 1105519778 /nfs/dbraw/zinc/51/97/78/1105519778.db2.gz PLSINOVDJIDVLZ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418198 1105519784 /nfs/dbraw/zinc/51/97/84/1105519784.db2.gz PLSINOVDJIDVLZ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418198 1105519790 /nfs/dbraw/zinc/51/97/90/1105519790.db2.gz PLSINOVDJIDVLZ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418198 1105519797 /nfs/dbraw/zinc/51/97/97/1105519797.db2.gz PLSINOVDJIDVLZ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCCC2CCC2)c(C)[nH+]1 ZINC001491533579 1105840514 /nfs/dbraw/zinc/84/05/14/1105840514.db2.gz GSWBQPDEAOQDGO-HNNXBMFYSA-N 2 2 317.477 3.295 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253189077 1105899907 /nfs/dbraw/zinc/89/99/07/1105899907.db2.gz FOQHQGJLNOMWOJ-WMLDXEAASA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253189077 1105899913 /nfs/dbraw/zinc/89/99/13/1105899913.db2.gz FOQHQGJLNOMWOJ-WMLDXEAASA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253189865 1105900136 /nfs/dbraw/zinc/90/01/36/1105900136.db2.gz MCQCTYMEUJZKCN-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253189865 1105900141 /nfs/dbraw/zinc/90/01/41/1105900141.db2.gz MCQCTYMEUJZKCN-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](C1CCC3(CC3)CC1)C2 ZINC001254442712 1106071574 /nfs/dbraw/zinc/07/15/74/1106071574.db2.gz LQVSOQLOLBSMAJ-UHFFFAOYSA-N 2 2 314.477 3.017 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](C1CCC3(CC3)CC1)C2 ZINC001254442712 1106071581 /nfs/dbraw/zinc/07/15/81/1106071581.db2.gz LQVSOQLOLBSMAJ-UHFFFAOYSA-N 2 2 314.477 3.017 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001254505081 1106084790 /nfs/dbraw/zinc/08/47/90/1106084790.db2.gz ZINLPCYNWFGYQG-LBPRGKRZSA-N 2 2 320.330 3.298 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001254505081 1106084795 /nfs/dbraw/zinc/08/47/95/1106084795.db2.gz ZINLPCYNWFGYQG-LBPRGKRZSA-N 2 2 320.330 3.298 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC001254506894 1106085882 /nfs/dbraw/zinc/08/58/82/1106085882.db2.gz CHPKISKBEMOXOD-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC001254506894 1106085888 /nfs/dbraw/zinc/08/58/88/1106085888.db2.gz CHPKISKBEMOXOD-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516293 1106091180 /nfs/dbraw/zinc/09/11/80/1106091180.db2.gz LRCWKPVBONUXPD-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516293 1106091187 /nfs/dbraw/zinc/09/11/87/1106091187.db2.gz LRCWKPVBONUXPD-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516293 1106091191 /nfs/dbraw/zinc/09/11/91/1106091191.db2.gz LRCWKPVBONUXPD-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001254516293 1106091197 /nfs/dbraw/zinc/09/11/97/1106091197.db2.gz LRCWKPVBONUXPD-AZUAARDMSA-N 2 2 309.457 3.377 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254848367 1106147921 /nfs/dbraw/zinc/14/79/21/1106147921.db2.gz PFJKFHRNSQUKHO-ZWKOTPCHSA-N 2 2 304.865 3.271 20 0 DGADLP COc1ccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCC2)cc1 ZINC001254847545 1106148050 /nfs/dbraw/zinc/14/80/50/1106148050.db2.gz FZOJMYGTRIGYLQ-GOSISDBHSA-N 2 2 314.473 3.234 20 0 DGADLP Cc1ccc(N(C2Cc3ccccc3C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001255029520 1106170430 /nfs/dbraw/zinc/17/04/30/1106170430.db2.gz WNEHBAJDQIPXQY-UHFFFAOYSA-N 2 2 307.441 3.116 20 0 DGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255107925 1106181547 /nfs/dbraw/zinc/18/15/47/1106181547.db2.gz KJIQXBCDJHWINR-OALUTQOASA-N 2 2 315.505 3.113 20 0 DGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001255107925 1106181550 /nfs/dbraw/zinc/18/15/50/1106181550.db2.gz KJIQXBCDJHWINR-OALUTQOASA-N 2 2 315.505 3.113 20 0 DGADLP CC1(C)CCC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001255303871 1106218981 /nfs/dbraw/zinc/21/89/81/1106218981.db2.gz CSUBQZTZQWHERF-UHFFFAOYSA-N 2 2 314.433 3.246 20 0 DGADLP CC1(C)CCC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001255303871 1106218983 /nfs/dbraw/zinc/21/89/83/1106218983.db2.gz CSUBQZTZQWHERF-UHFFFAOYSA-N 2 2 314.433 3.246 20 0 DGADLP CCn1cnc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255392274 1106239496 /nfs/dbraw/zinc/23/94/96/1106239496.db2.gz HYMQSHHUUVSPNW-SFHVURJKSA-N 2 2 312.461 3.047 20 0 DGADLP CCn1cnc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255392274 1106239500 /nfs/dbraw/zinc/23/95/00/1106239500.db2.gz HYMQSHHUUVSPNW-SFHVURJKSA-N 2 2 312.461 3.047 20 0 DGADLP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255394603 1106240634 /nfs/dbraw/zinc/24/06/34/1106240634.db2.gz WIHCOJBGJSFYSA-IBGZPJMESA-N 3 2 317.521 3.361 20 0 DGADLP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255394603 1106240637 /nfs/dbraw/zinc/24/06/37/1106240637.db2.gz WIHCOJBGJSFYSA-IBGZPJMESA-N 3 2 317.521 3.361 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255395763 1106241648 /nfs/dbraw/zinc/24/16/48/1106241648.db2.gz CSXVOFXYFMCMAU-SFHVURJKSA-N 3 2 312.461 3.002 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255395763 1106241652 /nfs/dbraw/zinc/24/16/52/1106241652.db2.gz CSXVOFXYFMCMAU-SFHVURJKSA-N 3 2 312.461 3.002 20 0 DGADLP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397826 1106242173 /nfs/dbraw/zinc/24/21/73/1106242173.db2.gz HOUCLBGYXITDJU-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397826 1106242178 /nfs/dbraw/zinc/24/21/78/1106242178.db2.gz HOUCLBGYXITDJU-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397826 1106242182 /nfs/dbraw/zinc/24/21/82/1106242182.db2.gz HOUCLBGYXITDJU-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397826 1106242186 /nfs/dbraw/zinc/24/21/86/1106242186.db2.gz HOUCLBGYXITDJU-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399271 1106242471 /nfs/dbraw/zinc/24/24/71/1106242471.db2.gz QAYWOLZXRAEFME-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399271 1106242475 /nfs/dbraw/zinc/24/24/75/1106242475.db2.gz QAYWOLZXRAEFME-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399271 1106242478 /nfs/dbraw/zinc/24/24/78/1106242478.db2.gz QAYWOLZXRAEFME-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399271 1106242482 /nfs/dbraw/zinc/24/24/82/1106242482.db2.gz QAYWOLZXRAEFME-MJGOQNOKSA-N 2 2 314.473 3.342 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409738 1106248012 /nfs/dbraw/zinc/24/80/12/1106248012.db2.gz LOGHETVDRIOMMW-MOPGFXCFSA-N 2 2 300.446 3.095 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409738 1106248016 /nfs/dbraw/zinc/24/80/16/1106248016.db2.gz LOGHETVDRIOMMW-MOPGFXCFSA-N 2 2 300.446 3.095 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409738 1106248018 /nfs/dbraw/zinc/24/80/18/1106248018.db2.gz LOGHETVDRIOMMW-MOPGFXCFSA-N 2 2 300.446 3.095 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409738 1106248021 /nfs/dbraw/zinc/24/80/21/1106248021.db2.gz LOGHETVDRIOMMW-MOPGFXCFSA-N 2 2 300.446 3.095 20 0 DGADLP C[C@@H](CC(F)(F)F)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001255639458 1106282127 /nfs/dbraw/zinc/28/21/27/1106282127.db2.gz URMSYZRXEMZGFM-LBPRGKRZSA-N 2 2 301.356 3.229 20 0 DGADLP C[C@@H](CC(F)(F)F)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001255664781 1106289557 /nfs/dbraw/zinc/28/95/57/1106289557.db2.gz SPCYGWVGVHOSCU-JTQLQIEISA-N 2 2 305.319 3.120 20 0 DGADLP C[C@@H](CSc1ccc(F)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001255750934 1106308543 /nfs/dbraw/zinc/30/85/43/1106308543.db2.gz JUTVSOADNZRVNX-AWEZNQCLSA-N 2 2 308.466 3.476 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001255839913 1106324986 /nfs/dbraw/zinc/32/49/86/1106324986.db2.gz YCAXASGDQBKNEA-HNNXBMFYSA-N 2 2 313.420 3.102 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](Cc1ccccc1)CC(OC)OC ZINC001255957443 1106349972 /nfs/dbraw/zinc/34/99/72/1106349972.db2.gz RWTXGAGXSHFYRG-KRWDZBQOSA-N 2 2 322.493 3.228 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+](Cc1ccccc1)CC(OC)OC ZINC001255957443 1106349977 /nfs/dbraw/zinc/34/99/77/1106349977.db2.gz RWTXGAGXSHFYRG-KRWDZBQOSA-N 2 2 322.493 3.228 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cn2)C2CC2)CC1 ZINC001256199583 1106389696 /nfs/dbraw/zinc/38/96/96/1106389696.db2.gz RPWFQJHMEWGLPI-OAHLLOKOSA-N 2 2 313.367 3.235 20 0 DGADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC1 ZINC001256213971 1106391835 /nfs/dbraw/zinc/39/18/35/1106391835.db2.gz DDAYKGDAKIVUBO-LJQANCHMSA-N 2 2 302.437 3.200 20 0 DGADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)CC1 ZINC001256213971 1106391839 /nfs/dbraw/zinc/39/18/39/1106391839.db2.gz DDAYKGDAKIVUBO-LJQANCHMSA-N 2 2 302.437 3.200 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256300167 1106401911 /nfs/dbraw/zinc/40/19/11/1106401911.db2.gz CVPVXZICVZSYBJ-QGZVFWFLSA-N 2 2 321.896 3.381 20 0 DGADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256300167 1106401913 /nfs/dbraw/zinc/40/19/13/1106401913.db2.gz CVPVXZICVZSYBJ-QGZVFWFLSA-N 2 2 321.896 3.381 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001256324374 1106405970 /nfs/dbraw/zinc/40/59/70/1106405970.db2.gz LDNSMAHOZDBWIX-SJLPKXTDSA-N 2 2 317.477 3.116 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001256324372 1106406244 /nfs/dbraw/zinc/40/62/44/1106406244.db2.gz LDNSMAHOZDBWIX-FUHWJXTLSA-N 2 2 317.477 3.116 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001256364685 1106410381 /nfs/dbraw/zinc/41/03/81/1106410381.db2.gz UMZHNGZTORHZBG-WDSOQIARSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522961 1106433601 /nfs/dbraw/zinc/43/36/01/1106433601.db2.gz LAOLGBMGLCMZQY-HKUYNNGSSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522961 1106433602 /nfs/dbraw/zinc/43/36/02/1106433602.db2.gz LAOLGBMGLCMZQY-HKUYNNGSSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522961 1106433604 /nfs/dbraw/zinc/43/36/04/1106433604.db2.gz LAOLGBMGLCMZQY-HKUYNNGSSA-N 3 2 303.494 3.099 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522961 1106433605 /nfs/dbraw/zinc/43/36/05/1106433605.db2.gz LAOLGBMGLCMZQY-HKUYNNGSSA-N 3 2 303.494 3.099 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528841 1106434707 /nfs/dbraw/zinc/43/47/07/1106434707.db2.gz MHXYTGBIOGFWGB-YJBOKZPZSA-N 2 2 302.462 3.387 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528841 1106434709 /nfs/dbraw/zinc/43/47/09/1106434709.db2.gz MHXYTGBIOGFWGB-YJBOKZPZSA-N 2 2 302.462 3.387 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256536489 1106437231 /nfs/dbraw/zinc/43/72/31/1106437231.db2.gz DZRPWJJNBOFGPT-MJGOQNOKSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256536489 1106437233 /nfs/dbraw/zinc/43/72/33/1106437233.db2.gz DZRPWJJNBOFGPT-MJGOQNOKSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552280 1106440390 /nfs/dbraw/zinc/44/03/90/1106440390.db2.gz BDKPCHZNFAAGAU-BTHPGYMESA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256552280 1106440393 /nfs/dbraw/zinc/44/03/93/1106440393.db2.gz BDKPCHZNFAAGAU-BTHPGYMESA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552280 1106440395 /nfs/dbraw/zinc/44/03/95/1106440395.db2.gz BDKPCHZNFAAGAU-BTHPGYMESA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552280 1106440397 /nfs/dbraw/zinc/44/03/97/1106440397.db2.gz BDKPCHZNFAAGAU-BTHPGYMESA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553361 1106442225 /nfs/dbraw/zinc/44/22/25/1106442225.db2.gz FQQGOWZYASEWMN-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553361 1106442227 /nfs/dbraw/zinc/44/22/27/1106442227.db2.gz FQQGOWZYASEWMN-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553361 1106442230 /nfs/dbraw/zinc/44/22/30/1106442230.db2.gz FQQGOWZYASEWMN-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553361 1106442234 /nfs/dbraw/zinc/44/22/34/1106442234.db2.gz FQQGOWZYASEWMN-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553355 1106442361 /nfs/dbraw/zinc/44/23/61/1106442361.db2.gz FQQGOWZYASEWMN-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553355 1106442365 /nfs/dbraw/zinc/44/23/65/1106442365.db2.gz FQQGOWZYASEWMN-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553355 1106442368 /nfs/dbraw/zinc/44/23/68/1106442368.db2.gz FQQGOWZYASEWMN-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553355 1106442370 /nfs/dbraw/zinc/44/23/70/1106442370.db2.gz FQQGOWZYASEWMN-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553914 1106442401 /nfs/dbraw/zinc/44/24/01/1106442401.db2.gz MGJTXOOMBNQJLP-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553914 1106442403 /nfs/dbraw/zinc/44/24/03/1106442403.db2.gz MGJTXOOMBNQJLP-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553914 1106442406 /nfs/dbraw/zinc/44/24/06/1106442406.db2.gz MGJTXOOMBNQJLP-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553914 1106442407 /nfs/dbraw/zinc/44/24/07/1106442407.db2.gz MGJTXOOMBNQJLP-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3OCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553749 1106442849 /nfs/dbraw/zinc/44/28/49/1106442849.db2.gz JUFRFHMXGCINPB-AFYVEPGGSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3OCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256553749 1106442851 /nfs/dbraw/zinc/44/28/51/1106442851.db2.gz JUFRFHMXGCINPB-AFYVEPGGSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553749 1106442853 /nfs/dbraw/zinc/44/28/53/1106442853.db2.gz JUFRFHMXGCINPB-AFYVEPGGSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553749 1106442857 /nfs/dbraw/zinc/44/28/57/1106442857.db2.gz JUFRFHMXGCINPB-AFYVEPGGSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256554797 1106442889 /nfs/dbraw/zinc/44/28/89/1106442889.db2.gz QXZQPTLNYZESNZ-DFEOGRTESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256554797 1106442890 /nfs/dbraw/zinc/44/28/90/1106442890.db2.gz QXZQPTLNYZESNZ-DFEOGRTESA-N 2 2 302.462 3.149 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256568842 1106447578 /nfs/dbraw/zinc/44/75/78/1106447578.db2.gz HMKKTLHZZDPCHM-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256568842 1106447580 /nfs/dbraw/zinc/44/75/80/1106447580.db2.gz HMKKTLHZZDPCHM-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP CCc1noc(C2CC[NH+](C3CC[NH+](C(C)(C)C)CC3)CC2)n1 ZINC001256575546 1106448690 /nfs/dbraw/zinc/44/86/90/1106448690.db2.gz QEFFATGNHSOCEJ-UHFFFAOYSA-N 2 2 320.481 3.074 20 0 DGADLP C[C@H]1CC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001257078549 1106534594 /nfs/dbraw/zinc/53/45/94/1106534594.db2.gz NBBBAJYKQMESRK-ZWOKBUDYSA-N 2 2 316.489 3.239 20 0 DGADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)nc1 ZINC001257212548 1106552492 /nfs/dbraw/zinc/55/24/92/1106552492.db2.gz YCWVUFAJUDTFJX-GOSISDBHSA-N 2 2 303.450 3.004 20 0 DGADLP COc1cnccc1[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257213701 1106552654 /nfs/dbraw/zinc/55/26/54/1106552654.db2.gz SQONVDRFXWLVTJ-GOSISDBHSA-N 2 2 303.450 3.004 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001257214160 1106552896 /nfs/dbraw/zinc/55/28/96/1106552896.db2.gz ZDUCVNZTVKDLHL-UHFFFAOYSA-N 2 2 317.408 3.443 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001257219063 1106553172 /nfs/dbraw/zinc/55/31/72/1106553172.db2.gz CPKSACOYDNRHAS-SFHVURJKSA-N 3 2 307.526 3.200 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001257219063 1106553174 /nfs/dbraw/zinc/55/31/74/1106553174.db2.gz CPKSACOYDNRHAS-SFHVURJKSA-N 3 2 307.526 3.200 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001257219062 1106553677 /nfs/dbraw/zinc/55/36/77/1106553677.db2.gz CPKSACOYDNRHAS-GOSISDBHSA-N 3 2 307.526 3.200 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001257219062 1106553681 /nfs/dbraw/zinc/55/36/81/1106553681.db2.gz CPKSACOYDNRHAS-GOSISDBHSA-N 3 2 307.526 3.200 20 0 DGADLP CCCC(CCC)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257336410 1106569642 /nfs/dbraw/zinc/56/96/42/1106569642.db2.gz FKMWRNZRXZCPTO-QZTJIDSGSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC(CCC)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257336410 1106569649 /nfs/dbraw/zinc/56/96/49/1106569649.db2.gz FKMWRNZRXZCPTO-QZTJIDSGSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257336410 1106569651 /nfs/dbraw/zinc/56/96/51/1106569651.db2.gz FKMWRNZRXZCPTO-QZTJIDSGSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257336410 1106569655 /nfs/dbraw/zinc/56/96/55/1106569655.db2.gz FKMWRNZRXZCPTO-QZTJIDSGSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC(CCC)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257336687 1106569801 /nfs/dbraw/zinc/56/98/01/1106569801.db2.gz FKMWRNZRXZCPTO-MSOLQXFVSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC(CCC)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257336687 1106569804 /nfs/dbraw/zinc/56/98/04/1106569804.db2.gz FKMWRNZRXZCPTO-MSOLQXFVSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257336687 1106569808 /nfs/dbraw/zinc/56/98/08/1106569808.db2.gz FKMWRNZRXZCPTO-MSOLQXFVSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001257336687 1106569811 /nfs/dbraw/zinc/56/98/11/1106569811.db2.gz FKMWRNZRXZCPTO-MSOLQXFVSA-N 2 2 318.509 3.143 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC001257657979 1106615503 /nfs/dbraw/zinc/61/55/03/1106615503.db2.gz SYGAXDCILODYMA-QGZVFWFLSA-N 2 2 320.502 3.145 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)c1 ZINC001257664702 1106617011 /nfs/dbraw/zinc/61/70/11/1106617011.db2.gz VKNGHUVYPBMSGN-KRWDZBQOSA-N 2 2 320.502 3.145 20 0 DGADLP CC(C)=CCC[C@@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258088339 1106670381 /nfs/dbraw/zinc/67/03/81/1106670381.db2.gz LCHJJFNLRNKGLX-OAHLLOKOSA-N 2 2 314.433 3.412 20 0 DGADLP CC(C)=CCC[C@@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258088339 1106670385 /nfs/dbraw/zinc/67/03/85/1106670385.db2.gz LCHJJFNLRNKGLX-OAHLLOKOSA-N 2 2 314.433 3.412 20 0 DGADLP CCCCC(=O)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258135333 1106679587 /nfs/dbraw/zinc/67/95/87/1106679587.db2.gz AYEFRYYLKWKUPS-KRWDZBQOSA-N 2 2 316.489 3.431 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258159771 1106683575 /nfs/dbraw/zinc/68/35/75/1106683575.db2.gz NFGYRCCMGUEIHQ-HHUCQEJWSA-N 2 2 313.489 3.270 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCSC)CC2)cc1 ZINC001258200676 1106695756 /nfs/dbraw/zinc/69/57/56/1106695756.db2.gz WMADNKXYVHCFPR-OAHLLOKOSA-N 2 2 322.518 3.391 20 0 DGADLP CSCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258205236 1106695863 /nfs/dbraw/zinc/69/58/63/1106695863.db2.gz HKFUFRKHLNOIHX-MFKMUULPSA-N 2 2 317.296 3.180 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CCSC ZINC001258213574 1106697942 /nfs/dbraw/zinc/69/79/42/1106697942.db2.gz SKPHMXWXBGTFSC-BPQIPLTHSA-N 2 2 322.518 3.007 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CCSC ZINC001258213574 1106697946 /nfs/dbraw/zinc/69/79/46/1106697946.db2.gz SKPHMXWXBGTFSC-BPQIPLTHSA-N 2 2 322.518 3.007 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCCC(C)(C)C3)CC2)c1 ZINC001258291334 1106710850 /nfs/dbraw/zinc/71/08/50/1106710850.db2.gz BDFDPKXNWSXTBH-HNNXBMFYSA-N 2 2 303.450 3.181 20 0 DGADLP CCCC[N@H+](C)CC[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258411847 1106735912 /nfs/dbraw/zinc/73/59/12/1106735912.db2.gz MXYJEZCVAIVGMZ-UHFFFAOYSA-N 2 2 307.457 3.116 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258411847 1106735920 /nfs/dbraw/zinc/73/59/20/1106735920.db2.gz MXYJEZCVAIVGMZ-UHFFFAOYSA-N 2 2 307.457 3.116 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cncc(C(F)(F)F)c2)CC1 ZINC001258768201 1106965571 /nfs/dbraw/zinc/96/55/71/1106965571.db2.gz CPIYWNRTEGPJSQ-UHFFFAOYSA-N 2 2 301.356 3.064 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001258799728 1106984533 /nfs/dbraw/zinc/98/45/33/1106984533.db2.gz HVVVQTHSNJPPCG-JKSUJKDBSA-N 2 2 305.466 3.427 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258816317 1106997984 /nfs/dbraw/zinc/99/79/84/1106997984.db2.gz BLRWCUKSVHRNHV-FRYIKTPZSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258816317 1106997993 /nfs/dbraw/zinc/99/79/93/1106997993.db2.gz BLRWCUKSVHRNHV-FRYIKTPZSA-N 2 2 316.489 3.444 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258884765 1107038983 /nfs/dbraw/zinc/03/89/83/1107038983.db2.gz QHAMVIWZKIWFBY-BEFAXECRSA-N 2 2 310.441 3.012 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258884765 1107038998 /nfs/dbraw/zinc/03/89/98/1107038998.db2.gz QHAMVIWZKIWFBY-BEFAXECRSA-N 2 2 310.441 3.012 20 0 DGADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+][C@@H]3C[C@@H]4COC[C@H]34)C2)cc1 ZINC001474662955 1107255725 /nfs/dbraw/zinc/25/57/25/1107255725.db2.gz CQWIIZZIWHVNQX-FUMNGEBKSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+][C@@H]3C[C@@H]4COC[C@H]34)C2)cc1 ZINC001474662955 1107255733 /nfs/dbraw/zinc/25/57/33/1107255733.db2.gz CQWIIZZIWHVNQX-FUMNGEBKSA-N 2 2 314.473 3.056 20 0 DGADLP CCCCCCOCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001321832029 1107443938 /nfs/dbraw/zinc/44/39/38/1107443938.db2.gz LIMDHDVNAKZDSY-UHFFFAOYSA-N 2 2 316.405 3.111 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H](C)F ZINC001317542729 1107505558 /nfs/dbraw/zinc/50/55/58/1107505558.db2.gz JEWMFBJVMKAFQY-CQSZACIVSA-N 2 2 323.456 3.197 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H](C)F ZINC001317542729 1107505566 /nfs/dbraw/zinc/50/55/66/1107505566.db2.gz JEWMFBJVMKAFQY-CQSZACIVSA-N 2 2 323.456 3.197 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2csc(Br)c2)C1 ZINC000380990118 1108083056 /nfs/dbraw/zinc/08/30/56/1108083056.db2.gz KVWVKJOESFCJHJ-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000380990118 1108083068 /nfs/dbraw/zinc/08/30/68/1108083068.db2.gz KVWVKJOESFCJHJ-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP CC[NH+](CCC[N@@H+](CC)Cc1ccncc1)Cc1ccncc1 ZINC001324674664 1108418996 /nfs/dbraw/zinc/41/89/96/1108418996.db2.gz VLGZXCXNWAVUDV-UHFFFAOYSA-N 2 2 312.461 3.211 20 0 DGADLP CC[NH+](CCC[N@H+](CC)Cc1ccncc1)Cc1ccncc1 ZINC001324674664 1108419000 /nfs/dbraw/zinc/41/90/00/1108419000.db2.gz VLGZXCXNWAVUDV-UHFFFAOYSA-N 2 2 312.461 3.211 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000386118322 1108434063 /nfs/dbraw/zinc/43/40/63/1108434063.db2.gz MHDQUKRQCOLPJO-GFCCVEGCSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000386118322 1108434069 /nfs/dbraw/zinc/43/40/69/1108434069.db2.gz MHDQUKRQCOLPJO-GFCCVEGCSA-N 2 2 315.230 3.149 20 0 DGADLP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001319539658 1108514242 /nfs/dbraw/zinc/51/42/42/1108514242.db2.gz HFBDHZWTLQSSAP-CVEARBPZSA-N 2 2 322.497 3.097 20 0 DGADLP c1ccc(COCCCC[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000390705443 1108676678 /nfs/dbraw/zinc/67/66/78/1108676678.db2.gz GKELWYGVMMPJRB-IBGZPJMESA-N 2 2 302.462 3.200 20 0 DGADLP c1ccc(COCCCC[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000390705443 1108676686 /nfs/dbraw/zinc/67/66/86/1108676686.db2.gz GKELWYGVMMPJRB-IBGZPJMESA-N 2 2 302.462 3.200 20 0 DGADLP CC(C)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CCC(C)(C)C ZINC001319948069 1108708584 /nfs/dbraw/zinc/70/85/84/1108708584.db2.gz SUQBDFZOGPRFMZ-CVEARBPZSA-N 2 2 322.497 3.001 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000393426703 1109012439 /nfs/dbraw/zinc/01/24/39/1109012439.db2.gz YILORTTUSSKQQS-GOSISDBHSA-N 2 2 323.444 3.273 20 0 DGADLP CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001282302797 1109481379 /nfs/dbraw/zinc/48/13/79/1109481379.db2.gz DXNMCONPINOLNN-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432818 1111298771 /nfs/dbraw/zinc/29/87/71/1111298771.db2.gz BMTJXDWVYBLRAU-IRXDYDNUSA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432818 1111298777 /nfs/dbraw/zinc/29/87/77/1111298777.db2.gz BMTJXDWVYBLRAU-IRXDYDNUSA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432818 1111298780 /nfs/dbraw/zinc/29/87/80/1111298780.db2.gz BMTJXDWVYBLRAU-IRXDYDNUSA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1ccc(C)o1 ZINC001307432818 1111298785 /nfs/dbraw/zinc/29/87/85/1111298785.db2.gz BMTJXDWVYBLRAU-IRXDYDNUSA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432817 1111299388 /nfs/dbraw/zinc/29/93/88/1111299388.db2.gz BMTJXDWVYBLRAU-IAGOWNOFSA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432817 1111299391 /nfs/dbraw/zinc/29/93/91/1111299391.db2.gz BMTJXDWVYBLRAU-IAGOWNOFSA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432817 1111299393 /nfs/dbraw/zinc/29/93/93/1111299393.db2.gz BMTJXDWVYBLRAU-IAGOWNOFSA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432817 1111299396 /nfs/dbraw/zinc/29/93/96/1111299396.db2.gz BMTJXDWVYBLRAU-IAGOWNOFSA-N 2 2 310.482 3.452 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC001307836270 1111345636 /nfs/dbraw/zinc/34/56/36/1111345636.db2.gz YRDCRYWQARXIIN-SFHVURJKSA-N 2 2 315.505 3.367 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164594 1111387754 /nfs/dbraw/zinc/38/77/54/1111387754.db2.gz FSZADBPIPJCGMH-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164594 1111387756 /nfs/dbraw/zinc/38/77/56/1111387756.db2.gz FSZADBPIPJCGMH-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC001308189408 1111393985 /nfs/dbraw/zinc/39/39/85/1111393985.db2.gz VOALUZJMIQZMSF-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC001308189408 1111393986 /nfs/dbraw/zinc/39/39/86/1111393986.db2.gz VOALUZJMIQZMSF-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP C[C@H](C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2)C[NH+]1CCCCC1 ZINC001308216152 1111398849 /nfs/dbraw/zinc/39/88/49/1111398849.db2.gz MMOYGIAICOLQHB-HUUCEWRRSA-N 2 2 321.534 3.480 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC001308219673 1111399942 /nfs/dbraw/zinc/39/99/42/1111399942.db2.gz KNHVWIWZELXNGH-UHFFFAOYSA-N 2 2 303.454 3.021 20 0 DGADLP COCc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001308233299 1111402316 /nfs/dbraw/zinc/40/23/16/1111402316.db2.gz AQDYEOPHRRLIDM-UHFFFAOYSA-N 2 2 313.426 3.370 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001308458416 1111430595 /nfs/dbraw/zinc/43/05/95/1111430595.db2.gz VPPAGNBLGDEEAK-UHFFFAOYSA-N 2 2 314.376 3.076 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001308458416 1111430599 /nfs/dbraw/zinc/43/05/99/1111430599.db2.gz VPPAGNBLGDEEAK-UHFFFAOYSA-N 2 2 314.376 3.076 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(O)cc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001308918055 1111493242 /nfs/dbraw/zinc/49/32/42/1111493242.db2.gz HQIFXHQCIYVXIM-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(O)cc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001308918055 1111493244 /nfs/dbraw/zinc/49/32/44/1111493244.db2.gz HQIFXHQCIYVXIM-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308974212 1111502956 /nfs/dbraw/zinc/50/29/56/1111502956.db2.gz FQQYFVDKKZISFM-HNNXBMFYSA-N 2 2 314.477 3.206 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308974212 1111502959 /nfs/dbraw/zinc/50/29/59/1111502959.db2.gz FQQYFVDKKZISFM-HNNXBMFYSA-N 2 2 314.477 3.206 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c(C)[nH+]1 ZINC001310834203 1111572903 /nfs/dbraw/zinc/57/29/03/1111572903.db2.gz IDGJAHRBOSZCET-INIZCTEOSA-N 2 2 318.465 3.201 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c(C)[nH+]1 ZINC001310834203 1111572907 /nfs/dbraw/zinc/57/29/07/1111572907.db2.gz IDGJAHRBOSZCET-INIZCTEOSA-N 2 2 318.465 3.201 20 0 DGADLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1 ZINC000076901290 185052663 /nfs/dbraw/zinc/05/26/63/185052663.db2.gz MQMQLDODGHYDPX-UHFFFAOYSA-N 2 2 309.413 3.304 20 0 DGADLP COc1cccc([C@@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278457319 214166804 /nfs/dbraw/zinc/16/68/04/214166804.db2.gz XDOAEHNNSIUPSP-CRAIPNDOSA-N 2 2 320.502 3.175 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480186 214180818 /nfs/dbraw/zinc/18/08/18/214180818.db2.gz JFBBUOJMNQMQBC-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480186 214180821 /nfs/dbraw/zinc/18/08/21/214180821.db2.gz JFBBUOJMNQMQBC-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480186 214180823 /nfs/dbraw/zinc/18/08/23/214180823.db2.gz JFBBUOJMNQMQBC-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480186 214180825 /nfs/dbraw/zinc/18/08/25/214180825.db2.gz JFBBUOJMNQMQBC-GUYCJALGSA-N 2 2 310.844 3.438 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1F ZINC000278481915 214181790 /nfs/dbraw/zinc/18/17/90/214181790.db2.gz KOCSLJRHPDBPPK-KBPBESRZSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1F ZINC000278481915 214181791 /nfs/dbraw/zinc/18/17/91/214181791.db2.gz KOCSLJRHPDBPPK-KBPBESRZSA-N 2 2 312.404 3.116 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512406 214203135 /nfs/dbraw/zinc/20/31/35/214203135.db2.gz BLFYZUQDBHPLET-AQNXPRMDSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC000278512406 214203137 /nfs/dbraw/zinc/20/31/37/214203137.db2.gz BLFYZUQDBHPLET-AQNXPRMDSA-N 2 2 314.473 3.009 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000278515289 214205132 /nfs/dbraw/zinc/20/51/32/214205132.db2.gz XGHDBQHMYOQFOP-INIZCTEOSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000278515289 214205133 /nfs/dbraw/zinc/20/51/33/214205133.db2.gz XGHDBQHMYOQFOP-INIZCTEOSA-N 2 2 306.425 3.142 20 0 DGADLP CCc1nc(N2CCc3c([nH+]cn3-c3ccccc3)C2)cc(C)[nH+]1 ZINC000286552386 219050528 /nfs/dbraw/zinc/05/05/28/219050528.db2.gz QGYZSNVAERHXOV-UHFFFAOYSA-N 2 2 319.412 3.096 20 0 DGADLP CCc1cc(NCc2[nH+]ccn2CCc2ccccc2)nc(C)[nH+]1 ZINC000272855748 210250377 /nfs/dbraw/zinc/25/03/77/210250377.db2.gz LEZKXUPPFLGFSE-UHFFFAOYSA-N 2 2 321.428 3.399 20 0 DGADLP CC[C@@H](COCC(F)(F)F)[NH2+]CCCc1c[nH+]ccc1C ZINC000295110247 529522396 /nfs/dbraw/zinc/52/23/96/529522396.db2.gz LMYMGPAWDZNKKU-AWEZNQCLSA-N 2 2 304.356 3.270 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940769 529651093 /nfs/dbraw/zinc/65/10/93/529651093.db2.gz IZUMZYNEHBMWOA-CWRNSKLLSA-N 2 2 304.434 3.029 20 0 DGADLP CCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090402330 185294549 /nfs/dbraw/zinc/29/45/49/185294549.db2.gz BQDANKIBOPAXPH-FUHWJXTLSA-N 2 2 301.478 3.462 20 0 DGADLP CCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090402330 185294550 /nfs/dbraw/zinc/29/45/50/185294550.db2.gz BQDANKIBOPAXPH-FUHWJXTLSA-N 2 2 301.478 3.462 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648643 185331293 /nfs/dbraw/zinc/33/12/93/185331293.db2.gz JNRKKNNOYVKRGD-UHFFFAOYSA-N 2 2 321.428 3.419 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648431 185331362 /nfs/dbraw/zinc/33/13/62/185331362.db2.gz YXESSTSDNGQTRG-UHFFFAOYSA-N 2 2 311.389 3.012 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000247033180 282249193 /nfs/dbraw/zinc/24/91/93/282249193.db2.gz VPTIDSZZJWXJSL-BRSBDYLESA-N 2 2 302.462 3.083 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429559412 529749614 /nfs/dbraw/zinc/74/96/14/529749614.db2.gz LFJUJFRQFVPSAY-CYBMUJFWSA-N 2 2 322.412 3.257 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)n1C ZINC000315809085 282320776 /nfs/dbraw/zinc/32/07/76/282320776.db2.gz QXMANJTXVJQHFC-MRXNPFEDSA-N 2 2 300.450 3.363 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC1CCOCC1 ZINC000293053846 529999770 /nfs/dbraw/zinc/99/97/70/529999770.db2.gz YHOCIFBMXYHVGI-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC1CCOCC1 ZINC000293053846 529999771 /nfs/dbraw/zinc/99/97/71/529999771.db2.gz YHOCIFBMXYHVGI-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429702980 529999918 /nfs/dbraw/zinc/99/99/18/529999918.db2.gz PLCBXIXLWNPFAK-NRFANRHFSA-N 2 2 324.468 3.410 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429702980 529999919 /nfs/dbraw/zinc/99/99/19/529999919.db2.gz PLCBXIXLWNPFAK-NRFANRHFSA-N 2 2 324.468 3.410 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429702980 529999920 /nfs/dbraw/zinc/99/99/20/529999920.db2.gz PLCBXIXLWNPFAK-NRFANRHFSA-N 2 2 324.468 3.410 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429702980 529999921 /nfs/dbraw/zinc/99/99/21/529999921.db2.gz PLCBXIXLWNPFAK-NRFANRHFSA-N 2 2 324.468 3.410 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430571898 530003188 /nfs/dbraw/zinc/00/31/88/530003188.db2.gz DMZKSWVHVVQCQS-LJQANCHMSA-N 2 2 323.440 3.123 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430571898 530003189 /nfs/dbraw/zinc/00/31/89/530003189.db2.gz DMZKSWVHVVQCQS-LJQANCHMSA-N 2 2 323.440 3.123 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430003002 530050576 /nfs/dbraw/zinc/05/05/76/530050576.db2.gz WMMMJOBNLWUXLN-UHFFFAOYSA-N 2 2 308.853 3.313 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785417 530058989 /nfs/dbraw/zinc/05/89/89/530058989.db2.gz JDMZIDAVEPFVCU-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785417 530058990 /nfs/dbraw/zinc/05/89/90/530058990.db2.gz JDMZIDAVEPFVCU-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785417 530058991 /nfs/dbraw/zinc/05/89/91/530058991.db2.gz JDMZIDAVEPFVCU-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785417 530058992 /nfs/dbraw/zinc/05/89/92/530058992.db2.gz JDMZIDAVEPFVCU-SJLPKXTDSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077514 530059873 /nfs/dbraw/zinc/05/98/73/530059873.db2.gz VYFIZPDWOQWBBO-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077514 530059874 /nfs/dbraw/zinc/05/98/74/530059874.db2.gz VYFIZPDWOQWBBO-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077514 530059875 /nfs/dbraw/zinc/05/98/75/530059875.db2.gz VYFIZPDWOQWBBO-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077514 530059876 /nfs/dbraw/zinc/05/98/76/530059876.db2.gz VYFIZPDWOQWBBO-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccnc1 ZINC000272643106 210047930 /nfs/dbraw/zinc/04/79/30/210047930.db2.gz COVRSFTXYHNGLY-GFCCVEGCSA-N 2 2 301.356 3.149 20 0 DGADLP CCC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H](O)c1ccccc1 ZINC000279760775 215122760 /nfs/dbraw/zinc/12/27/60/215122760.db2.gz ZUPMBSQIOMQURJ-IEBWSBKVSA-N 2 2 309.413 3.326 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1nccn1-c1ccccc1 ZINC000287000846 219263876 /nfs/dbraw/zinc/26/38/76/219263876.db2.gz KCTPOFAQEAACNA-MUQADHOPSA-N 2 2 312.461 3.252 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1nccn1-c1ccccc1 ZINC000287000846 219263880 /nfs/dbraw/zinc/26/38/80/219263880.db2.gz KCTPOFAQEAACNA-MUQADHOPSA-N 2 2 312.461 3.252 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000279909877 215229609 /nfs/dbraw/zinc/22/96/09/215229609.db2.gz LWCYLCXVXMRNQR-RRFJBIMHSA-N 2 2 317.433 3.071 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000279921608 215239147 /nfs/dbraw/zinc/23/91/47/215239147.db2.gz FKBYDIYKKJRJDR-IBGZPJMESA-N 2 2 306.413 3.274 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000138400554 186016350 /nfs/dbraw/zinc/01/63/50/186016350.db2.gz RJSLLUWBDUJPDQ-OAHLLOKOSA-N 2 2 322.412 3.036 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152495286 186079079 /nfs/dbraw/zinc/07/90/79/186079079.db2.gz KFULICPYKMLZOE-HZPDHXFCSA-N 2 2 301.434 3.322 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000181887055 186215563 /nfs/dbraw/zinc/21/55/63/186215563.db2.gz UGOORLWOVLLCAB-UHFFFAOYSA-N 2 2 324.896 3.051 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000181887055 186215565 /nfs/dbraw/zinc/21/55/65/186215565.db2.gz UGOORLWOVLLCAB-UHFFFAOYSA-N 2 2 324.896 3.051 20 0 DGADLP C=Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000194224842 186270218 /nfs/dbraw/zinc/27/02/18/186270218.db2.gz YMKXJTPVZQNVAV-UHFFFAOYSA-N 2 2 310.445 3.046 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750675 186378260 /nfs/dbraw/zinc/37/82/60/186378260.db2.gz JKVPDYZIYPTDGT-BFQNTYOBSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750675 186378261 /nfs/dbraw/zinc/37/82/61/186378261.db2.gz JKVPDYZIYPTDGT-BFQNTYOBSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268756447 186380377 /nfs/dbraw/zinc/38/03/77/186380377.db2.gz XSEPQYLUYBNFTO-HKUYNNGSSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756447 186380379 /nfs/dbraw/zinc/38/03/79/186380379.db2.gz XSEPQYLUYBNFTO-HKUYNNGSSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)n1 ZINC000268759418 186381343 /nfs/dbraw/zinc/38/13/43/186381343.db2.gz KWQIPUYSXSJHBQ-AWEZNQCLSA-N 2 2 321.428 3.189 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000130515799 432026791 /nfs/dbraw/zinc/02/67/91/432026791.db2.gz WSGOJPOKKNYMBO-YSGRDPCXSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000130515799 432026794 /nfs/dbraw/zinc/02/67/94/432026794.db2.gz WSGOJPOKKNYMBO-YSGRDPCXSA-N 2 2 322.452 3.490 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1O ZINC000277204058 213364267 /nfs/dbraw/zinc/36/42/67/213364267.db2.gz JZAIYZQKMVULKQ-OAHLLOKOSA-N 2 2 314.429 3.258 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(Br)cc1)Cn1cc[nH+]c1 ZINC000067500723 432031928 /nfs/dbraw/zinc/03/19/28/432031928.db2.gz YRAZUSRSCQABPF-LBPRGKRZSA-N 2 2 308.223 3.072 20 0 DGADLP C[C@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)Cn1cc[nH+]c1 ZINC000067695351 432036535 /nfs/dbraw/zinc/03/65/35/432036535.db2.gz IHKITTYYJWTFIC-CQSZACIVSA-N 2 2 312.442 3.433 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1csc(Br)c1 ZINC000163628191 432037307 /nfs/dbraw/zinc/03/73/07/432037307.db2.gz TYSINNAFMWEXGG-UHFFFAOYSA-N 2 2 305.285 3.331 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1csc(Br)c1 ZINC000163628191 432037311 /nfs/dbraw/zinc/03/73/11/432037311.db2.gz TYSINNAFMWEXGG-UHFFFAOYSA-N 2 2 305.285 3.331 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000163711585 432040174 /nfs/dbraw/zinc/04/01/74/432040174.db2.gz WJLGTHISEPFXGX-OAHLLOKOSA-N 2 2 316.470 3.431 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccs1 ZINC000163711452 432040199 /nfs/dbraw/zinc/04/01/99/432040199.db2.gz WJLGTHISEPFXGX-HNNXBMFYSA-N 2 2 316.470 3.431 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000163760653 432041764 /nfs/dbraw/zinc/04/17/64/432041764.db2.gz IIPLJPQQUPMQCH-LBPRGKRZSA-N 2 2 304.331 3.418 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000163760653 432041766 /nfs/dbraw/zinc/04/17/66/432041766.db2.gz IIPLJPQQUPMQCH-LBPRGKRZSA-N 2 2 304.331 3.418 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000163842928 432043017 /nfs/dbraw/zinc/04/30/17/432043017.db2.gz IFXVTOUSGGEQDA-CYBMUJFWSA-N 2 2 302.447 3.316 20 0 DGADLP c1ccc(N2CCC([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000163831124 432043249 /nfs/dbraw/zinc/04/32/49/432043249.db2.gz OPKXKNLEGITZFX-UHFFFAOYSA-N 2 2 310.445 3.142 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132657748 432052246 /nfs/dbraw/zinc/05/22/46/432052246.db2.gz BBQJKMRTTLTVLH-IUODEOHRSA-N 2 2 313.367 3.162 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132657748 432052248 /nfs/dbraw/zinc/05/22/48/432052248.db2.gz BBQJKMRTTLTVLH-IUODEOHRSA-N 2 2 313.367 3.162 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165980015 432058206 /nfs/dbraw/zinc/05/82/06/432058206.db2.gz HCGPRNFKJDNXJB-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165980015 432058208 /nfs/dbraw/zinc/05/82/08/432058208.db2.gz HCGPRNFKJDNXJB-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP CC[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000166775899 432062614 /nfs/dbraw/zinc/06/26/14/432062614.db2.gz JRZAKNBCHBQDKO-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCNc2cccc(C)n2)n1-c1ccccc1 ZINC000133450503 432064210 /nfs/dbraw/zinc/06/42/10/432064210.db2.gz CNWHFADKHKGNRM-UHFFFAOYSA-N 2 2 321.428 3.086 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCC ZINC000179634906 432066063 /nfs/dbraw/zinc/06/60/63/432066063.db2.gz HHLMPFKTHOMPJJ-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCC ZINC000179634906 432066064 /nfs/dbraw/zinc/06/60/64/432066064.db2.gz HHLMPFKTHOMPJJ-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP Fc1ccc(COC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000179661921 432066461 /nfs/dbraw/zinc/06/64/61/432066461.db2.gz IEWIAPYANFIBPB-UHFFFAOYSA-N 2 2 317.408 3.094 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000133899803 432071741 /nfs/dbraw/zinc/07/17/41/432071741.db2.gz ABCMNBLVIKBWEB-BEFAXECRSA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)CCOC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179783125 199079933 /nfs/dbraw/zinc/07/99/33/199079933.db2.gz RSIWPJFSEUPXCE-UHFFFAOYSA-N 2 2 301.434 3.361 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCn1cc[nH+]c1)CC3 ZINC000179963752 199101061 /nfs/dbraw/zinc/10/10/61/199101061.db2.gz MLPZPHMJPXQQEV-HNNXBMFYSA-N 2 2 308.429 3.210 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccsc2S1 ZINC000427872818 291148351 /nfs/dbraw/zinc/14/83/51/291148351.db2.gz JXXHQGMITDBJEX-LOWVWBTDSA-N 2 2 305.472 3.475 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1nc2ccccc2n1C ZINC000180145850 432079395 /nfs/dbraw/zinc/07/93/95/432079395.db2.gz GFGIDILGACGVMU-AWEZNQCLSA-N 2 2 309.417 3.121 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1([NH3+])CCC1 ZINC000414879110 236929360 /nfs/dbraw/zinc/92/93/60/236929360.db2.gz PBMOLKYBKPYBGP-UHFFFAOYSA-N 2 2 318.852 3.114 20 0 DGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415085257 237069391 /nfs/dbraw/zinc/06/93/91/237069391.db2.gz SEAUXEIWDIZNBL-IUODEOHRSA-N 2 2 301.459 3.439 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415125767 237098406 /nfs/dbraw/zinc/09/84/06/237098406.db2.gz FHBRCFVEXVLNCQ-KRWDZBQOSA-N 3 2 315.505 3.148 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000415119410 237089197 /nfs/dbraw/zinc/08/91/97/237089197.db2.gz FFWTYEHAEZQNFH-FRYIKTPZSA-N 2 2 310.416 3.356 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000415119410 237089202 /nfs/dbraw/zinc/08/92/02/237089202.db2.gz FFWTYEHAEZQNFH-FRYIKTPZSA-N 2 2 310.416 3.356 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@H](C)C1 ZINC000281169388 216127354 /nfs/dbraw/zinc/12/73/54/216127354.db2.gz QLFNXTFYTITGGA-NOZJJQNGSA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)[C@H](C)C1 ZINC000281169388 216127358 /nfs/dbraw/zinc/12/73/58/216127358.db2.gz QLFNXTFYTITGGA-NOZJJQNGSA-N 2 2 304.331 3.063 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000427872213 238004075 /nfs/dbraw/zinc/00/40/75/238004075.db2.gz JHZOGTJLEWBPEP-FZMZJTMJSA-N 2 2 320.234 3.311 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)nc1 ZINC000427856851 238004221 /nfs/dbraw/zinc/00/42/21/238004221.db2.gz XOSBSMZYHNHAIA-APWZRJJASA-N 2 2 322.387 3.111 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000428361005 238017809 /nfs/dbraw/zinc/01/78/09/238017809.db2.gz DCLXMUYESKARJT-HIFRSBDPSA-N 2 2 302.422 3.386 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000428361005 238017810 /nfs/dbraw/zinc/01/78/10/238017810.db2.gz DCLXMUYESKARJT-HIFRSBDPSA-N 2 2 302.422 3.386 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000429239997 238044562 /nfs/dbraw/zinc/04/45/62/238044562.db2.gz SICCZLLYXJXBFR-FUHWJXTLSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000429239997 238044564 /nfs/dbraw/zinc/04/45/64/238044564.db2.gz SICCZLLYXJXBFR-FUHWJXTLSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000429239997 238044565 /nfs/dbraw/zinc/04/45/65/238044565.db2.gz SICCZLLYXJXBFR-FUHWJXTLSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000429239997 238044566 /nfs/dbraw/zinc/04/45/66/238044566.db2.gz SICCZLLYXJXBFR-FUHWJXTLSA-N 2 2 319.468 3.211 20 0 DGADLP Cc1ccc2c(C[N@H+](C)CCC[NH+]3CCCC3)cc(=O)oc2c1 ZINC000281252087 216187842 /nfs/dbraw/zinc/18/78/42/216187842.db2.gz GYLUDXZJLZPCMT-UHFFFAOYSA-N 2 2 314.429 3.019 20 0 DGADLP Cc1ccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)cc(=O)oc2c1 ZINC000281252087 216187846 /nfs/dbraw/zinc/18/78/46/216187846.db2.gz GYLUDXZJLZPCMT-UHFFFAOYSA-N 2 2 314.429 3.019 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000429537993 238053734 /nfs/dbraw/zinc/05/37/34/238053734.db2.gz IGCYNQDKNFYYHG-INIZCTEOSA-N 2 2 305.466 3.175 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000429537993 238053735 /nfs/dbraw/zinc/05/37/35/238053735.db2.gz IGCYNQDKNFYYHG-INIZCTEOSA-N 2 2 305.466 3.175 20 0 DGADLP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431158991 238095577 /nfs/dbraw/zinc/09/55/77/238095577.db2.gz FQEZJAKIDPTUFZ-GOSISDBHSA-N 2 2 312.413 3.231 20 0 DGADLP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431158991 238095579 /nfs/dbraw/zinc/09/55/79/238095579.db2.gz FQEZJAKIDPTUFZ-GOSISDBHSA-N 2 2 312.413 3.231 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1cc(Br)ccc1Cl)C1CC1 ZINC000430563831 238079620 /nfs/dbraw/zinc/07/96/20/238079620.db2.gz XDTRFWZWZWXCPU-ZDUSSCGKSA-N 2 2 317.658 3.320 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1csc(CCc2ccccc2)n1)C1CC1 ZINC000430581022 238080941 /nfs/dbraw/zinc/08/09/41/238080941.db2.gz IMNHBQUWMZKBFZ-GOSISDBHSA-N 2 2 315.486 3.145 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1csc(CCc2ccccc2)n1)C1CC1 ZINC000430581024 238080979 /nfs/dbraw/zinc/08/09/79/238080979.db2.gz IMNHBQUWMZKBFZ-SFHVURJKSA-N 2 2 315.486 3.145 20 0 DGADLP C[C@H]([NH3+])CC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430804457 238086945 /nfs/dbraw/zinc/08/69/45/238086945.db2.gz YRMGJFBQSHDZKX-NSHDSACASA-N 2 2 300.406 3.286 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000432785882 238136313 /nfs/dbraw/zinc/13/63/13/238136313.db2.gz AWOGOFQRCFOAAS-HNNXBMFYSA-N 2 2 304.463 3.054 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000432785882 238136314 /nfs/dbraw/zinc/13/63/14/238136314.db2.gz AWOGOFQRCFOAAS-HNNXBMFYSA-N 2 2 304.463 3.054 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)sc2C1 ZINC000432783868 238136330 /nfs/dbraw/zinc/13/63/30/238136330.db2.gz DHLHGMYONHLDNJ-ZIAGYGMSSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)sc2C1 ZINC000432783868 238136331 /nfs/dbraw/zinc/13/63/31/238136331.db2.gz DHLHGMYONHLDNJ-ZIAGYGMSSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960566 209342331 /nfs/dbraw/zinc/34/23/31/209342331.db2.gz LLNRIKMREVYHQT-OXJNMPFZSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960566 209342335 /nfs/dbraw/zinc/34/23/35/209342335.db2.gz LLNRIKMREVYHQT-OXJNMPFZSA-N 2 2 310.441 3.104 20 0 DGADLP Cc1cc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)ccc1F ZINC000434658597 238225299 /nfs/dbraw/zinc/22/52/99/238225299.db2.gz GLDBDSVSGRFLNQ-UHFFFAOYSA-N 2 2 305.422 3.181 20 0 DGADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1cc(F)ccc1F ZINC000434659504 238225841 /nfs/dbraw/zinc/22/58/41/238225841.db2.gz QZKGVAVVKKWEPY-UHFFFAOYSA-N 2 2 323.412 3.320 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000271918330 209323253 /nfs/dbraw/zinc/32/32/53/209323253.db2.gz ZISUWAPHBSXQBO-MSOLQXFVSA-N 2 2 313.445 3.225 20 0 DGADLP Cc1nc2sccn2c1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000268475657 432093811 /nfs/dbraw/zinc/09/38/11/432093811.db2.gz JHUPCSXAAWOPLR-CQSZACIVSA-N 2 2 306.479 3.010 20 0 DGADLP Cc1nc2sccn2c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000268475657 432093813 /nfs/dbraw/zinc/09/38/13/432093813.db2.gz JHUPCSXAAWOPLR-CQSZACIVSA-N 2 2 306.479 3.010 20 0 DGADLP Cc1nc2sccn2c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000268475657 432093815 /nfs/dbraw/zinc/09/38/15/432093815.db2.gz JHUPCSXAAWOPLR-CQSZACIVSA-N 2 2 306.479 3.010 20 0 DGADLP Cc1nc2sccn2c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000268475657 432093818 /nfs/dbraw/zinc/09/38/18/432093818.db2.gz JHUPCSXAAWOPLR-CQSZACIVSA-N 2 2 306.479 3.010 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000193157619 201000528 /nfs/dbraw/zinc/00/05/28/201000528.db2.gz QYZRVGLJOHZCRZ-HNNXBMFYSA-N 2 2 309.251 3.122 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000193950379 201152083 /nfs/dbraw/zinc/15/20/83/201152083.db2.gz KHNCNMUUCXVTLV-VIFPVBQESA-N 2 2 303.269 3.255 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978901 201156426 /nfs/dbraw/zinc/15/64/26/201156426.db2.gz BGCAPIPDAKTLEO-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978901 201156428 /nfs/dbraw/zinc/15/64/28/201156428.db2.gz BGCAPIPDAKTLEO-ZACQAIPSSA-N 2 2 308.853 3.244 20 0 DGADLP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000194356041 201209232 /nfs/dbraw/zinc/20/92/32/201209232.db2.gz VCAARDSZXSTZBZ-APWZRJJASA-N 2 2 310.445 3.126 20 0 DGADLP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000194356041 201209237 /nfs/dbraw/zinc/20/92/37/201209237.db2.gz VCAARDSZXSTZBZ-APWZRJJASA-N 2 2 310.445 3.126 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780235 239123343 /nfs/dbraw/zinc/12/33/43/239123343.db2.gz MNZVMELOZDMBES-YIONKMFJSA-N 2 2 317.458 3.426 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780235 239123347 /nfs/dbraw/zinc/12/33/47/239123347.db2.gz MNZVMELOZDMBES-YIONKMFJSA-N 2 2 317.458 3.426 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc[nH+]c3ccncc23)C1 ZINC000444117274 239259103 /nfs/dbraw/zinc/25/91/03/239259103.db2.gz IXCLASFAOKZQJD-HZPDHXFCSA-N 2 2 312.461 3.222 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc3ccoc32)C[C@H](C)O1 ZINC000449068375 240001021 /nfs/dbraw/zinc/00/10/21/240001021.db2.gz BETRYZQUBMZZDZ-GASCZTMLSA-N 2 2 302.418 3.022 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc3ccoc32)C[C@H](C)O1 ZINC000449068375 240001023 /nfs/dbraw/zinc/00/10/23/240001023.db2.gz BETRYZQUBMZZDZ-GASCZTMLSA-N 2 2 302.418 3.022 20 0 DGADLP C[C@H](Cc1ccoc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000449070381 240001884 /nfs/dbraw/zinc/00/18/84/240001884.db2.gz CJUWZIOMRKLFPQ-MRXNPFEDSA-N 2 2 309.413 3.288 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccncc1F)[N@H+](C)Cc1ccccc1 ZINC000449175036 240052156 /nfs/dbraw/zinc/05/21/56/240052156.db2.gz JMBUTFMKPBTYRJ-HNNXBMFYSA-N 2 2 301.409 3.221 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccncc1F)[N@@H+](C)Cc1ccccc1 ZINC000449175036 240052162 /nfs/dbraw/zinc/05/21/62/240052162.db2.gz JMBUTFMKPBTYRJ-HNNXBMFYSA-N 2 2 301.409 3.221 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000449228015 240080366 /nfs/dbraw/zinc/08/03/66/240080366.db2.gz RLXLTJULZPJUFC-FUHWJXTLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000449228015 240080368 /nfs/dbraw/zinc/08/03/68/240080368.db2.gz RLXLTJULZPJUFC-FUHWJXTLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000449228015 240080373 /nfs/dbraw/zinc/08/03/73/240080373.db2.gz RLXLTJULZPJUFC-FUHWJXTLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000449228015 240080375 /nfs/dbraw/zinc/08/03/75/240080375.db2.gz RLXLTJULZPJUFC-FUHWJXTLSA-N 2 2 302.462 3.247 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449391264 240170510 /nfs/dbraw/zinc/17/05/10/240170510.db2.gz XUUJZRHDQHCHIQ-MJGOQNOKSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449391264 240170518 /nfs/dbraw/zinc/17/05/18/240170518.db2.gz XUUJZRHDQHCHIQ-MJGOQNOKSA-N 2 2 318.505 3.179 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000449394792 240173771 /nfs/dbraw/zinc/17/37/71/240173771.db2.gz GRVSTBPEXMKWDF-MHJFOBGBSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000449394792 240173779 /nfs/dbraw/zinc/17/37/79/240173779.db2.gz GRVSTBPEXMKWDF-MHJFOBGBSA-N 2 2 316.489 3.149 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000449328602 240135210 /nfs/dbraw/zinc/13/52/10/240135210.db2.gz JVZHFDASJLOPAI-SGZDXZSOSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000449328602 240135214 /nfs/dbraw/zinc/13/52/14/240135214.db2.gz JVZHFDASJLOPAI-SGZDXZSOSA-N 2 2 316.489 3.444 20 0 DGADLP CCO[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000449496441 240246642 /nfs/dbraw/zinc/24/66/42/240246642.db2.gz JBZLTNZXUHGWTJ-CZUORRHYSA-N 2 2 305.447 3.181 20 0 DGADLP CCO[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000449496441 240246646 /nfs/dbraw/zinc/24/66/46/240246646.db2.gz JBZLTNZXUHGWTJ-CZUORRHYSA-N 2 2 305.447 3.181 20 0 DGADLP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449433950 240202116 /nfs/dbraw/zinc/20/21/16/240202116.db2.gz OMOQAOPNYOLDKX-IAGOWNOFSA-N 2 2 301.478 3.462 20 0 DGADLP Cc1csc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000449474168 240226977 /nfs/dbraw/zinc/22/69/77/240226977.db2.gz CVLVMGJAABCWRP-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000449542856 240275940 /nfs/dbraw/zinc/27/59/40/240275940.db2.gz RKJKQOQTEBORKP-MOPGFXCFSA-N 2 2 311.429 3.228 20 0 DGADLP Fc1ccccc1OC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000171132761 432106684 /nfs/dbraw/zinc/10/66/84/432106684.db2.gz OMKKUMGRQPLRRK-QGZVFWFLSA-N 2 2 311.360 3.459 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@H]([NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000092047098 193146996 /nfs/dbraw/zinc/14/69/96/193146996.db2.gz DZYPFXXPZRJSES-IBGZPJMESA-N 2 2 324.472 3.241 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451812517 241243850 /nfs/dbraw/zinc/24/38/50/241243850.db2.gz QXPVIMSVKNYZBH-SFHVURJKSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451812517 241243854 /nfs/dbraw/zinc/24/38/54/241243854.db2.gz QXPVIMSVKNYZBH-SFHVURJKSA-N 2 2 313.445 3.164 20 0 DGADLP Fc1ccc(F)c(CC2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000451957705 241283898 /nfs/dbraw/zinc/28/38/98/241283898.db2.gz FVJJBBNZTWVHKA-UHFFFAOYSA-N 2 2 305.372 3.116 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[N@H+](Cc2ccccc2)C1 ZINC000275285939 212249816 /nfs/dbraw/zinc/24/98/16/212249816.db2.gz UBBIZNDPFYIARM-RSPOEFSDSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[N@@H+](Cc2ccccc2)C1 ZINC000275285939 212249819 /nfs/dbraw/zinc/24/98/19/212249819.db2.gz UBBIZNDPFYIARM-RSPOEFSDSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455498588 242218258 /nfs/dbraw/zinc/21/82/58/242218258.db2.gz ROYCCSVSKQKHPA-INIZCTEOSA-N 2 2 318.465 3.106 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455498588 242218261 /nfs/dbraw/zinc/21/82/61/242218261.db2.gz ROYCCSVSKQKHPA-INIZCTEOSA-N 2 2 318.465 3.106 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422735415 296109707 /nfs/dbraw/zinc/10/97/07/296109707.db2.gz UQRDFBSJUCMFCO-KLHKWILBSA-N 3 2 303.494 3.223 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091344349 284000440 /nfs/dbraw/zinc/00/04/40/284000440.db2.gz LDNTUQDYLXPKGD-QFBILLFUSA-N 2 2 302.462 3.004 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253557 193180779 /nfs/dbraw/zinc/18/07/79/193180779.db2.gz NGRXRKAGESLOQW-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253557 193180781 /nfs/dbraw/zinc/18/07/81/193180781.db2.gz NGRXRKAGESLOQW-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253557 193180782 /nfs/dbraw/zinc/18/07/82/193180782.db2.gz NGRXRKAGESLOQW-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253557 193180784 /nfs/dbraw/zinc/18/07/84/193180784.db2.gz NGRXRKAGESLOQW-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CCSCC1 ZINC000474800217 296118354 /nfs/dbraw/zinc/11/83/54/296118354.db2.gz LBERDDUOZINVSC-OAHLLOKOSA-N 2 2 318.530 3.207 20 0 DGADLP CC1CCC([N@H+](CCc2c[nH+]cn2C)C[C@H]2CCCO2)CC1 ZINC000459346094 243345205 /nfs/dbraw/zinc/34/52/05/243345205.db2.gz UAABJYNPEZXZCN-LEOMRAHMSA-N 2 2 305.466 3.022 20 0 DGADLP CC1CCC([N@@H+](CCc2c[nH+]cn2C)C[C@H]2CCCO2)CC1 ZINC000459346094 243345208 /nfs/dbraw/zinc/34/52/08/243345208.db2.gz UAABJYNPEZXZCN-LEOMRAHMSA-N 2 2 305.466 3.022 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246314710 432118337 /nfs/dbraw/zinc/11/83/37/432118337.db2.gz DZDUKSIRGQGVNF-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246314710 432118339 /nfs/dbraw/zinc/11/83/39/432118339.db2.gz DZDUKSIRGQGVNF-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468511875 244048712 /nfs/dbraw/zinc/04/87/12/244048712.db2.gz VOJBBBZOVWCISN-OJAHFUOMSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468511875 244048722 /nfs/dbraw/zinc/04/87/22/244048722.db2.gz VOJBBBZOVWCISN-OJAHFUOMSA-N 2 2 316.489 3.302 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2[nH+]1 ZINC000261856860 203135961 /nfs/dbraw/zinc/13/59/61/203135961.db2.gz PJRGDZGZGCHZRX-CYBMUJFWSA-N 2 2 314.433 3.234 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1F ZINC000470319820 244165316 /nfs/dbraw/zinc/16/53/16/244165316.db2.gz VICYAQNMJVBCLN-ZQIUZPCESA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1F ZINC000470319820 244165323 /nfs/dbraw/zinc/16/53/23/244165323.db2.gz VICYAQNMJVBCLN-ZQIUZPCESA-N 2 2 308.441 3.085 20 0 DGADLP CCn1nc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c2ccccc21 ZINC000472068525 244278944 /nfs/dbraw/zinc/27/89/44/244278944.db2.gz FTKXOQYOTAQXQK-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1Br)CC(C)(C)C[NH3+] ZINC000093874188 193322208 /nfs/dbraw/zinc/32/22/08/193322208.db2.gz STQSOTPPZUDSMI-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1Br)CC(C)(C)C[NH3+] ZINC000093874188 193322210 /nfs/dbraw/zinc/32/22/10/193322210.db2.gz STQSOTPPZUDSMI-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1Br)CC(C)(C)C[NH3+] ZINC000093874193 193322278 /nfs/dbraw/zinc/32/22/78/193322278.db2.gz VYNBRZCLVAJIEN-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1Br)CC(C)(C)C[NH3+] ZINC000093874193 193322279 /nfs/dbraw/zinc/32/22/79/193322279.db2.gz VYNBRZCLVAJIEN-UHFFFAOYSA-N 2 2 303.219 3.005 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CCSC1)Cc1ccccc1 ZINC000486990408 245011033 /nfs/dbraw/zinc/01/10/33/245011033.db2.gz PMJHCILWVUGDIG-ROUUACIJSA-N 2 2 306.519 3.282 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CCSC1)Cc1ccccc1 ZINC000486990409 245011151 /nfs/dbraw/zinc/01/11/51/245011151.db2.gz PMJHCILWVUGDIG-ZWKOTPCHSA-N 2 2 306.519 3.282 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487574037 245078291 /nfs/dbraw/zinc/07/82/91/245078291.db2.gz ODYCOSHMVOWZBB-YATRRXNKSA-N 2 2 322.456 3.305 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)c1 ZINC000488324531 245177374 /nfs/dbraw/zinc/17/73/74/245177374.db2.gz BFSLOSXQCOYOCQ-UHFFFAOYSA-N 2 2 324.403 3.333 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000282471840 217019924 /nfs/dbraw/zinc/01/99/24/217019924.db2.gz PKSGPNDATJIVIT-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000266124187 205117839 /nfs/dbraw/zinc/11/78/39/205117839.db2.gz PURNYZUVFJBITJ-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCCOC)c1cccc(OC)c1 ZINC000268734536 432128367 /nfs/dbraw/zinc/12/83/67/432128367.db2.gz CXHOQHYFWPXPIY-VQIMIIECSA-N 2 2 322.493 3.483 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nc2ccccn12 ZINC000171380957 432128641 /nfs/dbraw/zinc/12/86/41/432128641.db2.gz QBBXBMPHFHXCTH-UHFFFAOYSA-N 2 2 312.461 3.079 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2COc3ccccc32)n1-c1ccccc1 ZINC000288468371 220161756 /nfs/dbraw/zinc/16/17/56/220161756.db2.gz FLBNKMCCUSETHH-MRXNPFEDSA-N 2 2 319.408 3.447 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000493936326 246099737 /nfs/dbraw/zinc/09/97/37/246099737.db2.gz KNXUOFOZBOCLEV-AWEZNQCLSA-N 2 2 320.234 3.231 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cn1 ZINC000268787405 432134958 /nfs/dbraw/zinc/13/49/58/432134958.db2.gz KTEIFFNAZHQVRB-SFHVURJKSA-N 2 2 322.387 3.492 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267538595 206131629 /nfs/dbraw/zinc/13/16/29/206131629.db2.gz WXMOWMZHDVEZMS-RDTXWAMCSA-N 2 2 313.445 3.434 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000267538595 206131634 /nfs/dbraw/zinc/13/16/34/206131634.db2.gz WXMOWMZHDVEZMS-RDTXWAMCSA-N 2 2 313.445 3.434 20 0 DGADLP COc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)ccc2c1 ZINC000495126549 246238425 /nfs/dbraw/zinc/23/84/25/246238425.db2.gz HWHKKYDTXWOUBQ-UZLBHIALSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)ccc2c1 ZINC000495126549 246238429 /nfs/dbraw/zinc/23/84/29/246238429.db2.gz HWHKKYDTXWOUBQ-UZLBHIALSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)ccc2c1 ZINC000495126549 246238432 /nfs/dbraw/zinc/23/84/32/246238432.db2.gz HWHKKYDTXWOUBQ-UZLBHIALSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)ccc2c1 ZINC000495126549 246238435 /nfs/dbraw/zinc/23/84/35/246238435.db2.gz HWHKKYDTXWOUBQ-UZLBHIALSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C ZINC000496247923 246370967 /nfs/dbraw/zinc/37/09/67/246370967.db2.gz VAJVNHZPIVKLRK-AWEZNQCLSA-N 2 2 321.465 3.073 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C ZINC000496057753 246346135 /nfs/dbraw/zinc/34/61/35/246346135.db2.gz PSAXMCYJIUWBHN-HNNXBMFYSA-N 2 2 321.465 3.216 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1SC ZINC000268795618 432136190 /nfs/dbraw/zinc/13/61/90/432136190.db2.gz FSHXADGBNZFUIS-QWHCGFSZSA-N 2 2 305.447 3.353 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000268796726 432137306 /nfs/dbraw/zinc/13/73/06/432137306.db2.gz GGPQXVNURNNAPL-UKRRQHHQSA-N 2 2 303.406 3.030 20 0 DGADLP Fc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000190281489 432139930 /nfs/dbraw/zinc/13/99/30/432139930.db2.gz XWHOAYMZEHDFBH-UHFFFAOYSA-N 2 2 313.351 3.483 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000268827153 432141888 /nfs/dbraw/zinc/14/18/88/432141888.db2.gz ZGPQWGSPMUGOMD-GDBMZVCRSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268827153 432141894 /nfs/dbraw/zinc/14/18/94/432141894.db2.gz ZGPQWGSPMUGOMD-GDBMZVCRSA-N 2 2 301.459 3.286 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246542820 432142200 /nfs/dbraw/zinc/14/22/00/432142200.db2.gz JZUSGCLPEDJRSW-DZKIICNBSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246542820 432142204 /nfs/dbraw/zinc/14/22/04/432142204.db2.gz JZUSGCLPEDJRSW-DZKIICNBSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246542820 432142206 /nfs/dbraw/zinc/14/22/06/432142206.db2.gz JZUSGCLPEDJRSW-DZKIICNBSA-N 2 2 318.465 3.203 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246542820 432142211 /nfs/dbraw/zinc/14/22/11/432142211.db2.gz JZUSGCLPEDJRSW-DZKIICNBSA-N 2 2 318.465 3.203 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C1CC1 ZINC000136010990 432142846 /nfs/dbraw/zinc/14/28/46/432142846.db2.gz DUIAOPRFYIFANA-UHFFFAOYSA-N 2 2 312.417 3.253 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C1CC1 ZINC000136010990 432142850 /nfs/dbraw/zinc/14/28/50/432142850.db2.gz DUIAOPRFYIFANA-UHFFFAOYSA-N 2 2 312.417 3.253 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1Br ZINC000042427251 183269225 /nfs/dbraw/zinc/26/92/25/183269225.db2.gz LSUSVSVYVXAQSI-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1Br ZINC000042427251 183269227 /nfs/dbraw/zinc/26/92/27/183269227.db2.gz LSUSVSVYVXAQSI-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP OC1(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000284435501 218026908 /nfs/dbraw/zinc/02/69/08/218026908.db2.gz SJAGKHONWOGOEP-UHFFFAOYSA-N 2 2 322.880 3.199 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000109788591 194285679 /nfs/dbraw/zinc/28/56/79/194285679.db2.gz FCRVNDBQDLSEES-UHFFFAOYSA-N 2 2 323.868 3.085 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000109788591 194285682 /nfs/dbraw/zinc/28/56/82/194285682.db2.gz FCRVNDBQDLSEES-UHFFFAOYSA-N 2 2 323.868 3.085 20 0 DGADLP CCCCC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000268950735 207115368 /nfs/dbraw/zinc/11/53/68/207115368.db2.gz VCQDLSVOMQVBJF-RTBURBONSA-N 2 2 303.494 3.143 20 0 DGADLP CCCCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000268950735 207115372 /nfs/dbraw/zinc/11/53/72/207115372.db2.gz VCQDLSVOMQVBJF-RTBURBONSA-N 2 2 303.494 3.143 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000269097837 207237565 /nfs/dbraw/zinc/23/75/65/207237565.db2.gz SGZOUXJJXWQQNC-MRXNPFEDSA-N 2 2 321.428 3.420 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000248622477 285011502 /nfs/dbraw/zinc/01/15/02/285011502.db2.gz BDMMUZPFAYBARZ-AUUYWEPGSA-N 2 2 314.404 3.141 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000248622477 285011505 /nfs/dbraw/zinc/01/15/05/285011505.db2.gz BDMMUZPFAYBARZ-AUUYWEPGSA-N 2 2 314.404 3.141 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560022 532984539 /nfs/dbraw/zinc/98/45/39/532984539.db2.gz YKHYSMDLJBGBOR-TZMCWYRMSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430560022 532984543 /nfs/dbraw/zinc/98/45/43/532984543.db2.gz YKHYSMDLJBGBOR-TZMCWYRMSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCOC1 ZINC000119629156 195005496 /nfs/dbraw/zinc/00/54/96/195005496.db2.gz BVRPUIFVYQOCFK-HOCLYGCPSA-N 2 2 322.880 3.319 20 0 DGADLP CC(C)[N@H+](C)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000119751081 195030796 /nfs/dbraw/zinc/03/07/96/195030796.db2.gz UNFXGANRZDAFPS-UHFFFAOYSA-N 2 2 300.406 3.109 20 0 DGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000119751081 195030797 /nfs/dbraw/zinc/03/07/97/195030797.db2.gz UNFXGANRZDAFPS-UHFFFAOYSA-N 2 2 300.406 3.109 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000119905442 195059435 /nfs/dbraw/zinc/05/94/35/195059435.db2.gz SEGMBOPPLXGTSH-JTDSTZFVSA-N 2 2 320.477 3.235 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000119905442 195059438 /nfs/dbraw/zinc/05/94/38/195059438.db2.gz SEGMBOPPLXGTSH-JTDSTZFVSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1F ZINC000119872489 195052942 /nfs/dbraw/zinc/05/29/42/195052942.db2.gz AYHVWSJRKZGHJQ-MCIONIFRSA-N 2 2 312.404 3.115 20 0 DGADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000119885157 195056227 /nfs/dbraw/zinc/05/62/27/195056227.db2.gz NXKNOUANWCUOIE-UHFFFAOYSA-N 2 2 312.417 3.163 20 0 DGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000119885157 195056230 /nfs/dbraw/zinc/05/62/30/195056230.db2.gz NXKNOUANWCUOIE-UHFFFAOYSA-N 2 2 312.417 3.163 20 0 DGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119900055 195058299 /nfs/dbraw/zinc/05/82/99/195058299.db2.gz RFZKMAGJVXWWHE-GGXPGOJBSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119900055 195058301 /nfs/dbraw/zinc/05/83/01/195058301.db2.gz RFZKMAGJVXWWHE-GGXPGOJBSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000119962392 195070403 /nfs/dbraw/zinc/07/04/03/195070403.db2.gz STCORCIJWQWHGF-JZXOWHBKSA-N 2 2 320.477 3.235 20 0 DGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000119962392 195070406 /nfs/dbraw/zinc/07/04/06/195070406.db2.gz STCORCIJWQWHGF-JZXOWHBKSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000270097708 208155803 /nfs/dbraw/zinc/15/58/03/208155803.db2.gz BGRIBYYSYMXQHX-DLBZAZTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000270097708 208155810 /nfs/dbraw/zinc/15/58/10/208155810.db2.gz BGRIBYYSYMXQHX-DLBZAZTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCCC[C@H]3OC(F)F)c[nH+]c12 ZINC000337286413 253078762 /nfs/dbraw/zinc/07/87/62/253078762.db2.gz MDWPCAIWJXRLFF-UONOGXRCSA-N 2 2 309.360 3.283 20 0 DGADLP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000337385431 253102777 /nfs/dbraw/zinc/10/27/77/253102777.db2.gz KVXMHDBZPUEEQO-OAHLLOKOSA-N 2 2 323.431 3.461 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCSC1 ZINC000337344151 253092872 /nfs/dbraw/zinc/09/28/72/253092872.db2.gz SWNWZJPDIQPHPS-NJAFHUGGSA-N 2 2 319.518 3.135 20 0 DGADLP COc1ccc([C@H](C[NH2+][C@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000337347882 253093745 /nfs/dbraw/zinc/09/37/45/253093745.db2.gz YCHRXTSUIULFIE-APWZRJJASA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H]1CCCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337526577 253133410 /nfs/dbraw/zinc/13/34/10/253133410.db2.gz RRVREWGGWSNMLY-KBPBESRZSA-N 2 2 322.416 3.449 20 0 DGADLP C[C@H]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000337502167 253128905 /nfs/dbraw/zinc/12/89/05/253128905.db2.gz BTJJPECIVIGROU-UONOGXRCSA-N 2 2 322.416 3.449 20 0 DGADLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000338025834 253212300 /nfs/dbraw/zinc/21/23/00/253212300.db2.gz JDEVHIUFDRAOFF-GOSISDBHSA-N 2 2 319.493 3.087 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000252711174 285104314 /nfs/dbraw/zinc/10/43/14/285104314.db2.gz ISXAGGOOFUKEAZ-QMTHXVAHSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000252711174 285104316 /nfs/dbraw/zinc/10/43/16/285104316.db2.gz ISXAGGOOFUKEAZ-QMTHXVAHSA-N 2 2 315.230 3.018 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000338275421 253254315 /nfs/dbraw/zinc/25/43/15/253254315.db2.gz IPTBQNGBZWJNAJ-UHFFFAOYSA-N 2 2 323.456 3.207 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000338275421 253254318 /nfs/dbraw/zinc/25/43/18/253254318.db2.gz IPTBQNGBZWJNAJ-UHFFFAOYSA-N 2 2 323.456 3.207 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338313977 253263634 /nfs/dbraw/zinc/26/36/34/253263634.db2.gz IGBSYTSGZXXRGP-FUHWJXTLSA-N 2 2 321.465 3.016 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338313977 253263635 /nfs/dbraw/zinc/26/36/35/253263635.db2.gz IGBSYTSGZXXRGP-FUHWJXTLSA-N 2 2 321.465 3.016 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338373282 253276231 /nfs/dbraw/zinc/27/62/31/253276231.db2.gz QKDHJGILFYORQS-HNNXBMFYSA-N 2 2 309.404 3.338 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000338379690 253278188 /nfs/dbraw/zinc/27/81/88/253278188.db2.gz MRKQXLBRXWDBHI-MRXNPFEDSA-N 2 2 307.800 3.416 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000338379690 253278195 /nfs/dbraw/zinc/27/81/95/253278195.db2.gz MRKQXLBRXWDBHI-MRXNPFEDSA-N 2 2 307.800 3.416 20 0 DGADLP Cc1cccn2c(C[NH2+]CCC3C[C@@H](C)O[C@H](C)C3)c[nH+]c12 ZINC000338481020 253295183 /nfs/dbraw/zinc/29/51/83/253295183.db2.gz PITNUEZKMJSIBJ-HUUCEWRRSA-N 2 2 301.434 3.326 20 0 DGADLP Cc1cnn(CCCCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000159021887 197320279 /nfs/dbraw/zinc/32/02/79/197320279.db2.gz HKYXFLJCXTWBRH-ZWKOTPCHSA-N 2 2 315.465 3.141 20 0 DGADLP Cc1cnn(CCCCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000159021887 197320281 /nfs/dbraw/zinc/32/02/81/197320281.db2.gz HKYXFLJCXTWBRH-ZWKOTPCHSA-N 2 2 315.465 3.141 20 0 DGADLP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000338777881 253349913 /nfs/dbraw/zinc/34/99/13/253349913.db2.gz IDNDWWUSPFCHHT-IUODEOHRSA-N 2 2 306.841 3.027 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000342571151 254010561 /nfs/dbraw/zinc/01/05/61/254010561.db2.gz DGGJFQNDDGHOPX-UHFFFAOYSA-N 2 2 313.445 3.352 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C[C@H](C)O ZINC000157637116 197203740 /nfs/dbraw/zinc/20/37/40/197203740.db2.gz NGGZNCRHNKJORY-CABCVRRESA-N 2 2 324.896 3.301 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000343105395 254100018 /nfs/dbraw/zinc/10/00/18/254100018.db2.gz YIHAEJKNACYDFF-FXAWDEMLSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000343105395 254100020 /nfs/dbraw/zinc/10/00/20/254100020.db2.gz YIHAEJKNACYDFF-FXAWDEMLSA-N 2 2 316.489 3.086 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)C1 ZINC000343572679 254162578 /nfs/dbraw/zinc/16/25/78/254162578.db2.gz OVKVGVBINQEQSQ-MNZLEMJZSA-N 2 2 301.478 3.460 20 0 DGADLP CC[N@@H+]1CCO[C@@H](CNc2cc(C)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000343320037 254126650 /nfs/dbraw/zinc/12/66/50/254126650.db2.gz OJVFQDYYWXZIBC-HKUYNNGSSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@@H](CNc2cc(C)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000343320037 254126652 /nfs/dbraw/zinc/12/66/52/254126652.db2.gz OJVFQDYYWXZIBC-HKUYNNGSSA-N 2 2 311.429 3.264 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)CCS2 ZINC000343461924 254147000 /nfs/dbraw/zinc/14/70/00/254147000.db2.gz JLVGUGACLSYJTJ-UHOFOFEASA-N 2 2 306.475 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)CCS2 ZINC000343461924 254147002 /nfs/dbraw/zinc/14/70/02/254147002.db2.gz JLVGUGACLSYJTJ-UHOFOFEASA-N 2 2 306.475 3.304 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703132 254179127 /nfs/dbraw/zinc/17/91/27/254179127.db2.gz ZKADMDYCSWUXFQ-FUHWJXTLSA-N 2 2 304.482 3.091 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703132 254179128 /nfs/dbraw/zinc/17/91/28/254179128.db2.gz ZKADMDYCSWUXFQ-FUHWJXTLSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703132 254179129 /nfs/dbraw/zinc/17/91/29/254179129.db2.gz ZKADMDYCSWUXFQ-FUHWJXTLSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC=C(C)C)[C@@H]1c1cnn(C)c1 ZINC000343703132 254179130 /nfs/dbraw/zinc/17/91/30/254179130.db2.gz ZKADMDYCSWUXFQ-FUHWJXTLSA-N 2 2 304.482 3.091 20 0 DGADLP CC(C)c1nc(N(C)CCC[N@H+](C)Cc2ccco2)cc[nH+]1 ZINC000343780413 254187893 /nfs/dbraw/zinc/18/78/93/254187893.db2.gz MDWLSLJPYFWSGR-UHFFFAOYSA-N 2 2 302.422 3.151 20 0 DGADLP CC(C)c1nc(N(C)CCC[N@@H+](C)Cc2ccco2)cc[nH+]1 ZINC000343780413 254187894 /nfs/dbraw/zinc/18/78/94/254187894.db2.gz MDWLSLJPYFWSGR-UHFFFAOYSA-N 2 2 302.422 3.151 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045665 254217825 /nfs/dbraw/zinc/21/78/25/254217825.db2.gz GAMQDKLCRXKPOW-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045665 254217826 /nfs/dbraw/zinc/21/78/26/254217826.db2.gz GAMQDKLCRXKPOW-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)CO[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000344078477 254222137 /nfs/dbraw/zinc/22/21/37/254222137.db2.gz FWTXTQBFERMOAM-SJORKVTESA-N 2 2 319.493 3.191 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000344303943 254253339 /nfs/dbraw/zinc/25/33/39/254253339.db2.gz MLHPYBFXSYNWKD-UHOSZYNNSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344303943 254253341 /nfs/dbraw/zinc/25/33/41/254253341.db2.gz MLHPYBFXSYNWKD-UHOSZYNNSA-N 2 2 316.489 3.036 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000344664894 254294523 /nfs/dbraw/zinc/29/45/23/254294523.db2.gz IZHNEYSHMHERLQ-HKUYNNGSSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664894 254294524 /nfs/dbraw/zinc/29/45/24/254294524.db2.gz IZHNEYSHMHERLQ-HKUYNNGSSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664894 254294528 /nfs/dbraw/zinc/29/45/28/254294528.db2.gz IZHNEYSHMHERLQ-HKUYNNGSSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)CCn3cc[nH+]c3C(C)C)cc2[nH+]1 ZINC000344320636 254256029 /nfs/dbraw/zinc/25/60/29/254256029.db2.gz LUESOYAKJQBFLW-UHFFFAOYSA-N 2 2 311.389 3.220 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000344332461 254257830 /nfs/dbraw/zinc/25/78/30/254257830.db2.gz QADQTRDUPUQXPO-FLTUCWPJSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000344332461 254257832 /nfs/dbraw/zinc/25/78/32/254257832.db2.gz QADQTRDUPUQXPO-FLTUCWPJSA-N 2 2 306.425 3.117 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000180238915 533133085 /nfs/dbraw/zinc/13/30/85/533133085.db2.gz AMYNAQYMQFQGKI-QUCCMNQESA-N 2 2 310.441 3.468 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc2)cc1 ZINC000180238915 533133088 /nfs/dbraw/zinc/13/30/88/533133088.db2.gz AMYNAQYMQFQGKI-QUCCMNQESA-N 2 2 310.441 3.468 20 0 DGADLP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344587123 254285385 /nfs/dbraw/zinc/28/53/85/254285385.db2.gz RXWFXHABWUEXQV-KURKYZTESA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344587123 254285386 /nfs/dbraw/zinc/28/53/86/254285386.db2.gz RXWFXHABWUEXQV-KURKYZTESA-N 2 2 324.509 3.447 20 0 DGADLP COc1cccc2c(NCC[NH+]3CCSCC3)c(C)c[nH+]c12 ZINC000344973678 254320344 /nfs/dbraw/zinc/32/03/44/254320344.db2.gz KSEHPHMIKPKPLV-UHFFFAOYSA-N 2 2 317.458 3.013 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cnn1C(C)(C)C ZINC000345319886 254352955 /nfs/dbraw/zinc/35/29/55/254352955.db2.gz YUXPWHIROPXMSZ-DCGLDWPTSA-N 2 2 304.482 3.080 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000156584573 197125471 /nfs/dbraw/zinc/12/54/71/197125471.db2.gz DCEHACUPEAYPPH-SFHVURJKSA-N 2 2 314.429 3.221 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2sccc2Br)CC[N@@H+]1C ZINC000156157176 197090521 /nfs/dbraw/zinc/09/05/21/197090521.db2.gz FQWRADDSAQXHDW-ZJUUUORDSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2sccc2Br)CC[N@H+]1C ZINC000156157176 197090523 /nfs/dbraw/zinc/09/05/23/197090523.db2.gz FQWRADDSAQXHDW-ZJUUUORDSA-N 2 2 303.269 3.083 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000294690160 224169670 /nfs/dbraw/zinc/16/96/70/224169670.db2.gz ANSOLXOLEMIXTH-ZNSVDHJPSA-N 3 2 324.472 3.457 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294690160 224169674 /nfs/dbraw/zinc/16/96/74/224169674.db2.gz ANSOLXOLEMIXTH-ZNSVDHJPSA-N 3 2 324.472 3.457 20 0 DGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000294846586 224260770 /nfs/dbraw/zinc/26/07/70/224260770.db2.gz RRKVOFRMYLHWQX-FQEVSTJZSA-N 2 2 321.424 3.220 20 0 DGADLP CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)N(C)C ZINC000120741625 195229111 /nfs/dbraw/zinc/22/91/11/195229111.db2.gz CUILTRAEFWKZFQ-APWZRJJASA-N 2 2 314.477 3.499 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000120696288 195218465 /nfs/dbraw/zinc/21/84/65/195218465.db2.gz OCUVRNGMQKYGET-QGZVFWFLSA-N 2 2 324.428 3.176 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000120878674 195256200 /nfs/dbraw/zinc/25/62/00/195256200.db2.gz BHIYUTYTGJHKFA-MRXNPFEDSA-N 2 2 324.428 3.128 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000120878674 195256201 /nfs/dbraw/zinc/25/62/01/195256201.db2.gz BHIYUTYTGJHKFA-MRXNPFEDSA-N 2 2 324.428 3.128 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000271563493 209015230 /nfs/dbraw/zinc/01/52/30/209015230.db2.gz ORWVEWVJUYCBEB-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000289488962 221012371 /nfs/dbraw/zinc/01/23/71/221012371.db2.gz BKLPJMLBNPOHJT-UHFFFAOYSA-N 2 2 317.433 3.416 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478065 221002629 /nfs/dbraw/zinc/00/26/29/221002629.db2.gz HYMFLZUCAIJXRN-IUODEOHRSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478065 221002630 /nfs/dbraw/zinc/00/26/30/221002630.db2.gz HYMFLZUCAIJXRN-IUODEOHRSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478067 221003570 /nfs/dbraw/zinc/00/35/70/221003570.db2.gz HYMFLZUCAIJXRN-SWLSCSKDSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478067 221003573 /nfs/dbraw/zinc/00/35/73/221003573.db2.gz HYMFLZUCAIJXRN-SWLSCSKDSA-N 2 2 304.459 3.007 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000289693180 221157841 /nfs/dbraw/zinc/15/78/41/221157841.db2.gz NFYXJOLYCCASNU-SFHVURJKSA-N 2 2 318.848 3.473 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000289768541 221213105 /nfs/dbraw/zinc/21/31/05/221213105.db2.gz GGHHOEBNEWNTTD-LLVKDONJSA-N 2 2 313.323 3.033 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000294882904 224284467 /nfs/dbraw/zinc/28/44/67/224284467.db2.gz VRWACEROFHLUTG-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000294882904 224284468 /nfs/dbraw/zinc/28/44/68/224284468.db2.gz VRWACEROFHLUTG-UHFFFAOYSA-N 2 2 323.440 3.086 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294912510 224306004 /nfs/dbraw/zinc/30/60/04/224306004.db2.gz FATBZOALVOSLFB-WMLDXEAASA-N 2 2 315.486 3.247 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294912510 224306007 /nfs/dbraw/zinc/30/60/07/224306007.db2.gz FATBZOALVOSLFB-WMLDXEAASA-N 2 2 315.486 3.247 20 0 DGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000289989079 221362745 /nfs/dbraw/zinc/36/27/45/221362745.db2.gz YIASLRUESREGCN-QZTJIDSGSA-N 2 2 311.429 3.262 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000289989079 221362747 /nfs/dbraw/zinc/36/27/47/221362747.db2.gz YIASLRUESREGCN-QZTJIDSGSA-N 2 2 311.429 3.262 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)CCC[NH2+]1 ZINC000423417719 285325334 /nfs/dbraw/zinc/32/53/34/285325334.db2.gz SSRLTXDOWONAAG-ROUUACIJSA-N 2 2 306.450 3.178 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCC[NH+](C)C1 ZINC000121033518 195284398 /nfs/dbraw/zinc/28/43/98/195284398.db2.gz GCCVZFIHFDEHIX-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCC[NH+](C)C1 ZINC000121033518 195284399 /nfs/dbraw/zinc/28/43/99/195284399.db2.gz GCCVZFIHFDEHIX-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000121033518 195284401 /nfs/dbraw/zinc/28/44/01/195284401.db2.gz GCCVZFIHFDEHIX-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000121033518 195284402 /nfs/dbraw/zinc/28/44/02/195284402.db2.gz GCCVZFIHFDEHIX-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839260 195359161 /nfs/dbraw/zinc/35/91/61/195359161.db2.gz XNQCPADTTGEUHU-UWJYYQICSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839260 195359163 /nfs/dbraw/zinc/35/91/63/195359163.db2.gz XNQCPADTTGEUHU-UWJYYQICSA-N 2 2 324.468 3.494 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271622699 209069003 /nfs/dbraw/zinc/06/90/03/209069003.db2.gz NCGLLFPFXYHFIY-CHWSQXEVSA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271622699 209069004 /nfs/dbraw/zinc/06/90/04/209069004.db2.gz NCGLLFPFXYHFIY-CHWSQXEVSA-N 2 2 317.389 3.038 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000442870189 533393421 /nfs/dbraw/zinc/39/34/21/533393421.db2.gz FVJTXCXAGQPFGZ-QZTJIDSGSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294909719 533440061 /nfs/dbraw/zinc/44/00/61/533440061.db2.gz AWMFYNCRZYGFAR-OLZOCXBDSA-N 2 2 309.404 3.102 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000294909719 533440068 /nfs/dbraw/zinc/44/00/68/533440068.db2.gz AWMFYNCRZYGFAR-OLZOCXBDSA-N 2 2 309.404 3.102 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294909700 533441055 /nfs/dbraw/zinc/44/10/55/533441055.db2.gz AWMFYNCRZYGFAR-CHWSQXEVSA-N 2 2 309.404 3.102 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000294909700 533441059 /nfs/dbraw/zinc/44/10/59/533441059.db2.gz AWMFYNCRZYGFAR-CHWSQXEVSA-N 2 2 309.404 3.102 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1Br ZINC000428999473 533628856 /nfs/dbraw/zinc/62/88/56/533628856.db2.gz HLTPCXUVFDIWND-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000428999473 533628870 /nfs/dbraw/zinc/62/88/70/533628870.db2.gz HLTPCXUVFDIWND-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000428999473 533628875 /nfs/dbraw/zinc/62/88/75/533628875.db2.gz HLTPCXUVFDIWND-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000428999473 533628887 /nfs/dbraw/zinc/62/88/87/533628887.db2.gz HLTPCXUVFDIWND-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc(C)[nH+]1 ZINC000424066582 533645603 /nfs/dbraw/zinc/64/56/03/533645603.db2.gz YPOATHGORCUIDV-KRWDZBQOSA-N 2 2 311.429 3.041 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000163906160 132124382 /nfs/dbraw/zinc/12/43/82/132124382.db2.gz STONVSTYFGAUMI-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000163906160 132124385 /nfs/dbraw/zinc/12/43/85/132124385.db2.gz STONVSTYFGAUMI-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000357163218 285659475 /nfs/dbraw/zinc/65/94/75/285659475.db2.gz RUYLREURJJGHLF-LJQANCHMSA-N 2 2 318.461 3.230 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000421828819 292136430 /nfs/dbraw/zinc/13/64/30/292136430.db2.gz FKSSCXVHQNHVJR-HZPDHXFCSA-N 2 2 305.466 3.396 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751074 400097825 /nfs/dbraw/zinc/09/78/25/400097825.db2.gz UENNFNDQIBBYMU-CMKODMSKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751074 400097830 /nfs/dbraw/zinc/09/78/30/400097830.db2.gz UENNFNDQIBBYMU-CMKODMSKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751074 400097836 /nfs/dbraw/zinc/09/78/36/400097836.db2.gz UENNFNDQIBBYMU-CMKODMSKSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751074 400097842 /nfs/dbraw/zinc/09/78/42/400097842.db2.gz UENNFNDQIBBYMU-CMKODMSKSA-N 3 2 317.521 3.215 20 0 DGADLP CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000066586770 400101239 /nfs/dbraw/zinc/10/12/39/400101239.db2.gz XVRBOMBBMBJTTR-UHFFFAOYSA-N 2 2 315.486 3.460 20 0 DGADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000584789004 400104551 /nfs/dbraw/zinc/10/45/51/400104551.db2.gz TUFLJCOVBJNWBF-QGZVFWFLSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000584789004 400104557 /nfs/dbraw/zinc/10/45/57/400104557.db2.gz TUFLJCOVBJNWBF-QGZVFWFLSA-N 2 2 313.445 3.295 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000357845164 285892189 /nfs/dbraw/zinc/89/21/89/285892189.db2.gz AMVSHLLKVNZWKN-INIZCTEOSA-N 2 2 310.869 3.226 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000090847215 400079434 /nfs/dbraw/zinc/07/94/34/400079434.db2.gz MTSLZFSVWMZXNJ-CQSZACIVSA-N 2 2 300.402 3.301 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1sccc1Br)C[NH+](C)C ZINC000309763213 400131906 /nfs/dbraw/zinc/13/19/06/400131906.db2.gz MZHUXLLEZBPJQG-NXEZZACHSA-N 2 2 305.285 3.359 20 0 DGADLP CCn1cc[nH+]c1CNC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000315375879 400145030 /nfs/dbraw/zinc/14/50/30/400145030.db2.gz DDBJJOUYICWMSM-KRWDZBQOSA-N 2 2 300.450 3.076 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316374020 400150028 /nfs/dbraw/zinc/15/00/28/400150028.db2.gz IEKFTGCDWUMIFD-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316374020 400150031 /nfs/dbraw/zinc/15/00/31/400150031.db2.gz IEKFTGCDWUMIFD-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072057 400151204 /nfs/dbraw/zinc/15/12/04/400151204.db2.gz WTBMMUOKXLVWBD-LBPRGKRZSA-N 2 2 313.430 3.241 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072057 400151210 /nfs/dbraw/zinc/15/12/10/400151210.db2.gz WTBMMUOKXLVWBD-LBPRGKRZSA-N 2 2 313.430 3.241 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073814 400153612 /nfs/dbraw/zinc/15/36/12/400153612.db2.gz QEEDKBLLRYOPQL-OAHLLOKOSA-N 2 2 315.417 3.197 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073814 400153618 /nfs/dbraw/zinc/15/36/18/400153618.db2.gz QEEDKBLLRYOPQL-OAHLLOKOSA-N 2 2 315.417 3.197 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253546 400161351 /nfs/dbraw/zinc/16/13/51/400161351.db2.gz BOONLBJZTGIXJE-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253546 400161356 /nfs/dbraw/zinc/16/13/56/400161356.db2.gz BOONLBJZTGIXJE-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253546 400161358 /nfs/dbraw/zinc/16/13/58/400161358.db2.gz BOONLBJZTGIXJE-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253546 400161363 /nfs/dbraw/zinc/16/13/63/400161363.db2.gz BOONLBJZTGIXJE-HNNXBMFYSA-N 2 2 313.445 3.017 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000092738730 400199728 /nfs/dbraw/zinc/19/97/28/400199728.db2.gz QEYLZMIQIAICHE-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000390539628 400272470 /nfs/dbraw/zinc/27/24/70/400272470.db2.gz QKJDUOMVOQNMCL-WOJBJXKFSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000390539628 400272473 /nfs/dbraw/zinc/27/24/73/400272473.db2.gz QKJDUOMVOQNMCL-WOJBJXKFSA-N 2 2 322.452 3.244 20 0 DGADLP Cn1c[nH+]cc1CC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000401637756 400292280 /nfs/dbraw/zinc/29/22/80/400292280.db2.gz FBRXTWWFZVUTOW-UHFFFAOYSA-N 2 2 316.405 3.015 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708709 400421085 /nfs/dbraw/zinc/42/10/85/400421085.db2.gz BIJKCZDDVWQVLS-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708709 400421090 /nfs/dbraw/zinc/42/10/90/400421090.db2.gz BIJKCZDDVWQVLS-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000590708709 400421096 /nfs/dbraw/zinc/42/10/96/400421096.db2.gz BIJKCZDDVWQVLS-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000590708709 400421102 /nfs/dbraw/zinc/42/11/02/400421102.db2.gz BIJKCZDDVWQVLS-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591082559 400484050 /nfs/dbraw/zinc/48/40/50/400484050.db2.gz PMUAAOHVTNDHEF-KRWDZBQOSA-N 2 2 310.376 3.408 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129097787 400521882 /nfs/dbraw/zinc/52/18/82/400521882.db2.gz MZZUGDNQDDPQDE-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129097787 400521884 /nfs/dbraw/zinc/52/18/84/400521884.db2.gz MZZUGDNQDDPQDE-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915371 400578207 /nfs/dbraw/zinc/57/82/07/400578207.db2.gz FGWBXQWKBRDVQW-GDBMZVCRSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915371 400578214 /nfs/dbraw/zinc/57/82/14/400578214.db2.gz FGWBXQWKBRDVQW-GDBMZVCRSA-N 2 2 323.400 3.331 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836617 400613708 /nfs/dbraw/zinc/61/37/08/400613708.db2.gz NEBSUJDIQKCWHY-GOSISDBHSA-N 2 2 324.472 3.180 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836617 400613713 /nfs/dbraw/zinc/61/37/13/400613713.db2.gz NEBSUJDIQKCWHY-GOSISDBHSA-N 2 2 324.472 3.180 20 0 DGADLP O[C@H](c1ccccc1)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000141125498 400622950 /nfs/dbraw/zinc/62/29/50/400622950.db2.gz DTSSGGXJFGHJNS-VQTJNVASSA-N 2 2 321.424 3.338 20 0 DGADLP O[C@@H](c1ccccc1)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000141126063 400623525 /nfs/dbraw/zinc/62/35/25/400623525.db2.gz DTSSGGXJFGHJNS-UXHICEINSA-N 2 2 321.424 3.338 20 0 DGADLP CCC[NH+](CCC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000076407599 400653548 /nfs/dbraw/zinc/65/35/48/400653548.db2.gz HSKWOGDRFQXLPM-INIZCTEOSA-N 2 2 303.450 3.136 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051351796 400700220 /nfs/dbraw/zinc/70/02/20/400700220.db2.gz ZOMLLXXJOURGDE-HOTGVXAUSA-N 2 2 303.450 3.134 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051351796 400700224 /nfs/dbraw/zinc/70/02/24/400700224.db2.gz ZOMLLXXJOURGDE-HOTGVXAUSA-N 2 2 303.450 3.134 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000078974290 400837363 /nfs/dbraw/zinc/83/73/63/400837363.db2.gz HXXNVBJMHLKWGJ-LSDHHAIUSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000078974290 400837367 /nfs/dbraw/zinc/83/73/67/400837367.db2.gz HXXNVBJMHLKWGJ-LSDHHAIUSA-N 2 2 314.351 3.302 20 0 DGADLP CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000598955737 400910913 /nfs/dbraw/zinc/91/09/13/400910913.db2.gz OLJXHECVPFJXTQ-UHFFFAOYSA-N 2 2 321.446 3.080 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)C[NH2+]C4CC4)cc3)[nH+]c12 ZINC000237858396 400995445 /nfs/dbraw/zinc/99/54/45/400995445.db2.gz IFPNLTNHPKJEPJ-UHFFFAOYSA-N 2 2 320.396 3.000 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958824 401007361 /nfs/dbraw/zinc/00/73/61/401007361.db2.gz KCZBLOAAOYRYEC-CYBMUJFWSA-N 2 2 305.809 3.322 20 0 DGADLP Clc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958824 401007363 /nfs/dbraw/zinc/00/73/63/401007363.db2.gz KCZBLOAAOYRYEC-CYBMUJFWSA-N 2 2 305.809 3.322 20 0 DGADLP CCC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000245871221 401015593 /nfs/dbraw/zinc/01/55/93/401015593.db2.gz RNWSQMPODMURML-ICSRJNTNSA-N 2 2 316.489 3.224 20 0 DGADLP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000245871221 401015595 /nfs/dbraw/zinc/01/55/95/401015595.db2.gz RNWSQMPODMURML-ICSRJNTNSA-N 2 2 316.489 3.224 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000629532339 400964139 /nfs/dbraw/zinc/96/41/39/400964139.db2.gz WFMBROUMJWXJDX-LNMJFAINSA-N 2 2 302.462 3.228 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629652384 401017768 /nfs/dbraw/zinc/01/77/68/401017768.db2.gz AASLJCJVNPSPCN-HYTVEURUSA-N 2 2 316.342 3.298 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629652384 401017775 /nfs/dbraw/zinc/01/77/75/401017775.db2.gz AASLJCJVNPSPCN-HYTVEURUSA-N 2 2 316.342 3.298 20 0 DGADLP CC[N@H+](CC[NH3+])[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000629557116 400972422 /nfs/dbraw/zinc/97/24/22/400972422.db2.gz CZPDBXSQSGHVCC-OAHLLOKOSA-N 2 2 311.429 3.281 20 0 DGADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000629557116 400972429 /nfs/dbraw/zinc/97/24/29/400972429.db2.gz CZPDBXSQSGHVCC-OAHLLOKOSA-N 2 2 311.429 3.281 20 0 DGADLP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560251 400974508 /nfs/dbraw/zinc/97/45/08/400974508.db2.gz DWENHMHJEPVHCP-WZRBSPASSA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560251 400974514 /nfs/dbraw/zinc/97/45/14/400974514.db2.gz DWENHMHJEPVHCP-WZRBSPASSA-N 2 2 304.331 3.346 20 0 DGADLP CCCOc1c(Cl)cc(C[N@H+](CC)CC[NH3+])cc1OCC ZINC000629651359 401018355 /nfs/dbraw/zinc/01/83/55/401018355.db2.gz PMONLYZHFAWNFN-UHFFFAOYSA-N 2 2 314.857 3.308 20 0 DGADLP CCCOc1c(Cl)cc(C[N@@H+](CC)CC[NH3+])cc1OCC ZINC000629651359 401018361 /nfs/dbraw/zinc/01/83/61/401018361.db2.gz PMONLYZHFAWNFN-UHFFFAOYSA-N 2 2 314.857 3.308 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629568149 400979904 /nfs/dbraw/zinc/97/99/04/400979904.db2.gz RTVWJSYMUIWHAT-JSGCOSHPSA-N 2 2 318.408 3.368 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629568149 400979909 /nfs/dbraw/zinc/97/99/09/400979909.db2.gz RTVWJSYMUIWHAT-JSGCOSHPSA-N 2 2 318.408 3.368 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@@H]4C[NH2+]CCO4)cc3)cc2)c[nH+]1 ZINC000629741847 401072032 /nfs/dbraw/zinc/07/20/32/401072032.db2.gz FGAOTYZTQAWVSL-FQEVSTJZSA-N 2 2 319.408 3.259 20 0 DGADLP C[C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@H]1C ZINC000246556975 401031004 /nfs/dbraw/zinc/03/10/04/401031004.db2.gz LOZNIPAYNCBEDK-DVOMOZLQSA-N 2 2 322.416 3.447 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000084045175 401126272 /nfs/dbraw/zinc/12/62/72/401126272.db2.gz HDVVGJPPSOTVAW-UHFFFAOYSA-N 2 2 319.412 3.172 20 0 DGADLP Brc1ccccc1CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436037 401127836 /nfs/dbraw/zinc/12/78/36/401127836.db2.gz DTJGCDQQIZEQEX-UHFFFAOYSA-N 2 2 320.234 3.163 20 0 DGADLP Brc1ccccc1CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436037 401127842 /nfs/dbraw/zinc/12/78/42/401127842.db2.gz DTJGCDQQIZEQEX-UHFFFAOYSA-N 2 2 320.234 3.163 20 0 DGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224287 286002812 /nfs/dbraw/zinc/00/28/12/286002812.db2.gz BTLOQMHZMCHVEI-VBKZILBWSA-N 2 2 324.424 3.303 20 0 DGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224287 286002815 /nfs/dbraw/zinc/00/28/15/286002815.db2.gz BTLOQMHZMCHVEI-VBKZILBWSA-N 2 2 324.424 3.303 20 0 DGADLP C[N@H+](CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C1CCC1 ZINC000629954705 401133526 /nfs/dbraw/zinc/13/35/26/401133526.db2.gz QTQNWIONJIEIDC-UHFFFAOYSA-N 2 2 312.417 3.253 20 0 DGADLP C[N@@H+](CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C1CCC1 ZINC000629954705 401133532 /nfs/dbraw/zinc/13/35/32/401133532.db2.gz QTQNWIONJIEIDC-UHFFFAOYSA-N 2 2 312.417 3.253 20 0 DGADLP C[C@H](C[NH2+]Cc1cnc(-c2ccsc2)s1)Cn1cc[nH+]c1 ZINC000084656613 401153478 /nfs/dbraw/zinc/15/34/78/401153478.db2.gz KUFVFTLQXJTDIP-GFCCVEGCSA-N 2 2 318.471 3.494 20 0 DGADLP Cc1cn2ccc(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000620649179 401165172 /nfs/dbraw/zinc/16/51/72/401165172.db2.gz WLOOEEJHCQNJHG-KRWDZBQOSA-N 2 2 314.433 3.092 20 0 DGADLP CCOc1cncc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000621330941 401169262 /nfs/dbraw/zinc/16/92/62/401169262.db2.gz KIROZHZRLRETNN-UHFFFAOYSA-N 2 2 310.401 3.079 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625656079 401176674 /nfs/dbraw/zinc/17/66/74/401176674.db2.gz SGYCJTZCYWAEAI-CQSZACIVSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625656079 401176680 /nfs/dbraw/zinc/17/66/80/401176680.db2.gz SGYCJTZCYWAEAI-CQSZACIVSA-N 2 2 305.372 3.120 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000594955604 401205370 /nfs/dbraw/zinc/20/53/70/401205370.db2.gz CRGOXRYOAZUUKJ-YESZJQIVSA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000594955604 401205379 /nfs/dbraw/zinc/20/53/79/401205379.db2.gz CRGOXRYOAZUUKJ-YESZJQIVSA-N 2 2 324.509 3.351 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028820 401284135 /nfs/dbraw/zinc/28/41/35/401284135.db2.gz ZOQSSRJECXBESD-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000626028820 401284137 /nfs/dbraw/zinc/28/41/37/401284137.db2.gz ZOQSSRJECXBESD-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000089555196 401227576 /nfs/dbraw/zinc/22/75/76/401227576.db2.gz RWLLCGMTNLWUCU-FLAMNCDFSA-N 2 2 301.478 3.460 20 0 DGADLP CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000089555196 401227584 /nfs/dbraw/zinc/22/75/84/401227584.db2.gz RWLLCGMTNLWUCU-FLAMNCDFSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362435 286042001 /nfs/dbraw/zinc/04/20/01/286042001.db2.gz YEMHBCBQEWYLFX-RHSMWYFYSA-N 2 2 323.431 3.460 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362435 286042002 /nfs/dbraw/zinc/04/20/02/286042002.db2.gz YEMHBCBQEWYLFX-RHSMWYFYSA-N 2 2 323.431 3.460 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000090047224 401249901 /nfs/dbraw/zinc/24/99/01/401249901.db2.gz GIOMLJROLDRSSY-WMZOPIPTSA-N 2 2 320.477 3.155 20 0 DGADLP COC[C@@H](C)[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000626134912 401310171 /nfs/dbraw/zinc/31/01/71/401310171.db2.gz QAKYSFUWTDOTAA-VQIMIIECSA-N 2 2 313.445 3.298 20 0 DGADLP COC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000626134912 401310176 /nfs/dbraw/zinc/31/01/76/401310176.db2.gz QAKYSFUWTDOTAA-VQIMIIECSA-N 2 2 313.445 3.298 20 0 DGADLP O[C@]1(C[N@@H+]2CC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646686 401326644 /nfs/dbraw/zinc/32/66/44/401326644.db2.gz JCQVSKHBZUFHNL-LEWJYISDSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@]1(C[N@H+]2CC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646686 401326645 /nfs/dbraw/zinc/32/66/45/401326645.db2.gz JCQVSKHBZUFHNL-LEWJYISDSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@]1(C[NH+]2CC[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646686 401326646 /nfs/dbraw/zinc/32/66/46/401326646.db2.gz JCQVSKHBZUFHNL-LEWJYISDSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@]1(C[NH+]2CC[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646686 401326647 /nfs/dbraw/zinc/32/66/47/401326647.db2.gz JCQVSKHBZUFHNL-LEWJYISDSA-N 2 2 322.452 3.070 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634681078 401332283 /nfs/dbraw/zinc/33/22/83/401332283.db2.gz INAWKNCSPSKLEE-CRAIPNDOSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[C@H](C[NH3+])c4ccccc43)cn2c1 ZINC000634690466 401335794 /nfs/dbraw/zinc/33/57/94/401335794.db2.gz LYLGLUXASOHTBA-OAHLLOKOSA-N 2 2 306.413 3.095 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000622044009 401338284 /nfs/dbraw/zinc/33/82/84/401338284.db2.gz RRCAWZAFZVDSHJ-LPHOPBHVSA-N 2 2 314.404 3.417 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nnc(C)o1 ZINC000626062128 401291193 /nfs/dbraw/zinc/29/11/93/401291193.db2.gz IPLYVNGBDUMWHA-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nnc(C)o1 ZINC000626062128 401291195 /nfs/dbraw/zinc/29/11/95/401291195.db2.gz IPLYVNGBDUMWHA-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP CCc1nnc([C@@H](C)[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000626062441 401291519 /nfs/dbraw/zinc/29/15/19/401291519.db2.gz SGFLFIROQZBSNN-CQSZACIVSA-N 2 2 316.449 3.277 20 0 DGADLP CCc1nnc([C@@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000626062441 401291523 /nfs/dbraw/zinc/29/15/23/401291523.db2.gz SGFLFIROQZBSNN-CQSZACIVSA-N 2 2 316.449 3.277 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952559 401387369 /nfs/dbraw/zinc/38/73/69/401387369.db2.gz CHSSNSLODXWQOS-HOTGVXAUSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991089 401396814 /nfs/dbraw/zinc/39/68/14/401396814.db2.gz PLSTZQSGOVXYOG-AUUYWEPGSA-N 2 2 310.445 3.033 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991089 401396817 /nfs/dbraw/zinc/39/68/17/401396817.db2.gz PLSTZQSGOVXYOG-AUUYWEPGSA-N 2 2 310.445 3.033 20 0 DGADLP C[NH+](C)CCCC(C)(C)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631292461 401446284 /nfs/dbraw/zinc/44/62/84/401446284.db2.gz LCSYPTUCXUYEKS-UHFFFAOYSA-N 2 2 301.438 3.368 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]CCc3c[nH+]cn3C)cs2)cc1 ZINC000623086412 401462582 /nfs/dbraw/zinc/46/25/82/401462582.db2.gz PBOUEZBHLYWVJI-UHFFFAOYSA-N 2 2 312.442 3.184 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000623089303 401463132 /nfs/dbraw/zinc/46/31/32/401463132.db2.gz BCFNEQCLICDXDX-UHFFFAOYSA-N 2 2 307.388 3.235 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000623088874 401463191 /nfs/dbraw/zinc/46/31/91/401463191.db2.gz IWBABVQHEDCKHE-UHFFFAOYSA-N 2 2 307.388 3.235 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCc3ncccc32)c[nH+]1 ZINC000631567536 401499748 /nfs/dbraw/zinc/49/97/48/401499748.db2.gz YEVODLCJRSQRLY-HXUWFJFHSA-N 2 2 318.424 3.494 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCc3ncccc32)c[nH+]1 ZINC000631573196 401501761 /nfs/dbraw/zinc/50/17/61/401501761.db2.gz QCGLIMFOCWOSBX-GOSISDBHSA-N 2 2 304.397 3.435 20 0 DGADLP c1ccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000631651867 401524764 /nfs/dbraw/zinc/52/47/64/401524764.db2.gz ICZGPFQKSHYEFI-XUVXKRRUSA-N 2 2 314.473 3.166 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(C)c(Br)cn1 ZINC000623473396 401526511 /nfs/dbraw/zinc/52/65/11/401526511.db2.gz UPQBBPVXWSWSJV-UHFFFAOYSA-N 2 2 320.234 3.188 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]c1C ZINC000628156709 401537371 /nfs/dbraw/zinc/53/73/71/401537371.db2.gz ZSULMPWDTZBKOT-RHSMWYFYSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]c1C ZINC000628156709 401537373 /nfs/dbraw/zinc/53/73/73/401537373.db2.gz ZSULMPWDTZBKOT-RHSMWYFYSA-N 2 2 304.482 3.113 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000623655180 401562597 /nfs/dbraw/zinc/56/25/97/401562597.db2.gz QLRCDROOONCFAF-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000623655180 401562598 /nfs/dbraw/zinc/56/25/98/401562598.db2.gz QLRCDROOONCFAF-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)c2ccccc21 ZINC000623706700 401570101 /nfs/dbraw/zinc/57/01/01/401570101.db2.gz JWPLEMFQVSASRV-ROUUACIJSA-N 2 2 312.461 3.460 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)n1C ZINC000623833289 401585084 /nfs/dbraw/zinc/58/50/84/401585084.db2.gz XFYYXJJWTAUHBP-MRXNPFEDSA-N 2 2 318.852 3.307 20 0 DGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000623885595 401593833 /nfs/dbraw/zinc/59/38/33/401593833.db2.gz BQDRQFZXDZXXPS-ZDUSSCGKSA-N 2 2 302.447 3.397 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)C[NH+](C)C ZINC000623530487 401541222 /nfs/dbraw/zinc/54/12/22/401541222.db2.gz ZZUAQLAGDWCONJ-SECBINFHSA-N 2 2 321.209 3.015 20 0 DGADLP c1nc(C2CC2)oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000628190439 401546835 /nfs/dbraw/zinc/54/68/35/401546835.db2.gz GDJOIZKAFIOHAN-YOEHRIQHSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000628190439 401546839 /nfs/dbraw/zinc/54/68/39/401546839.db2.gz GDJOIZKAFIOHAN-YOEHRIQHSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000628190439 401546842 /nfs/dbraw/zinc/54/68/42/401546842.db2.gz GDJOIZKAFIOHAN-YOEHRIQHSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000628190439 401546845 /nfs/dbraw/zinc/54/68/45/401546845.db2.gz GDJOIZKAFIOHAN-YOEHRIQHSA-N 2 2 301.434 3.001 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000628214189 401552448 /nfs/dbraw/zinc/55/24/48/401552448.db2.gz NXHVFNMTGYQPEJ-INIZCTEOSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000628214189 401552451 /nfs/dbraw/zinc/55/24/51/401552451.db2.gz NXHVFNMTGYQPEJ-INIZCTEOSA-N 2 2 312.379 3.322 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccc1 ZINC000628221795 401553833 /nfs/dbraw/zinc/55/38/33/401553833.db2.gz UOIGKZDUFVADTC-QGZVFWFLSA-N 2 2 322.412 3.359 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234642 401556422 /nfs/dbraw/zinc/55/64/22/401556422.db2.gz HULSQUDMQKSSGT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234642 401556425 /nfs/dbraw/zinc/55/64/25/401556425.db2.gz HULSQUDMQKSSGT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234642 401556429 /nfs/dbraw/zinc/55/64/29/401556429.db2.gz HULSQUDMQKSSGT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234642 401556432 /nfs/dbraw/zinc/55/64/32/401556432.db2.gz HULSQUDMQKSSGT-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]C2CCC(O)CC2)[NH+]2CCCC2)cc1 ZINC000286116916 292201898 /nfs/dbraw/zinc/20/18/98/292201898.db2.gz NXDFZIUWCJGLLI-CTWPCTMYSA-N 2 2 302.462 3.025 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC000629396062 401683789 /nfs/dbraw/zinc/68/37/89/401683789.db2.gz IGEHAAPXCUSYFC-YOEHRIQHSA-N 2 2 321.896 3.035 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358828555 286163586 /nfs/dbraw/zinc/16/35/86/286163586.db2.gz OTZMPCATBZNNQH-QUCCMNQESA-N 2 2 315.505 3.115 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828555 286163589 /nfs/dbraw/zinc/16/35/89/286163589.db2.gz OTZMPCATBZNNQH-QUCCMNQESA-N 2 2 315.505 3.115 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000359004461 286212237 /nfs/dbraw/zinc/21/22/37/286212237.db2.gz PQKUZSRJSVKKMF-UCLAIMLFSA-N 2 2 312.461 3.079 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000359087916 286234051 /nfs/dbraw/zinc/23/40/51/286234051.db2.gz XJJCOJZHOGHCNR-WMZOPIPTSA-N 2 2 308.510 3.458 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102340 286237338 /nfs/dbraw/zinc/23/73/38/286237338.db2.gz FUQSDJMOWSTAFR-AZUAARDMSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102340 286237339 /nfs/dbraw/zinc/23/73/39/286237339.db2.gz FUQSDJMOWSTAFR-AZUAARDMSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102340 286237340 /nfs/dbraw/zinc/23/73/40/286237340.db2.gz FUQSDJMOWSTAFR-AZUAARDMSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102340 286237341 /nfs/dbraw/zinc/23/73/41/286237341.db2.gz FUQSDJMOWSTAFR-AZUAARDMSA-N 3 2 317.521 3.359 20 0 DGADLP CC1(C)CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000359103286 286237588 /nfs/dbraw/zinc/23/75/88/286237588.db2.gz HDHJJVPKENRTAP-GOSISDBHSA-N 2 2 302.462 3.187 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325896 286284542 /nfs/dbraw/zinc/28/45/42/286284542.db2.gz UHDRIHOODYDABM-OBJOEFQTSA-N 2 2 320.868 3.360 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325896 286284545 /nfs/dbraw/zinc/28/45/45/286284545.db2.gz UHDRIHOODYDABM-OBJOEFQTSA-N 2 2 320.868 3.360 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CSC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000449108203 292255913 /nfs/dbraw/zinc/25/59/13/292255913.db2.gz SPZNZGKMVYMPMA-JQHSSLGASA-N 2 2 304.503 3.473 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000359500123 286321410 /nfs/dbraw/zinc/32/14/10/286321410.db2.gz FYJBJZCUZOOKHW-RDJZCZTQSA-N 2 2 320.477 3.240 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000359591558 286343203 /nfs/dbraw/zinc/34/32/03/286343203.db2.gz MQBBUPNSJXVJFO-MRXNPFEDSA-N 2 2 303.450 3.386 20 0 DGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000359640544 286352145 /nfs/dbraw/zinc/35/21/45/286352145.db2.gz PRFHZJACBCPDGE-LBPRGKRZSA-N 2 2 303.372 3.473 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000359674841 286358732 /nfs/dbraw/zinc/35/87/32/286358732.db2.gz JZMYJEATOUANOO-ULQDDVLXSA-N 2 2 320.477 3.235 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000414121410 286369786 /nfs/dbraw/zinc/36/97/86/286369786.db2.gz ZLPZWZBKCZVVJH-YOEHRIQHSA-N 2 2 308.491 3.092 20 0 DGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360434071 286480776 /nfs/dbraw/zinc/48/07/76/286480776.db2.gz RVNUEGWDARUUHU-MNZLEMJZSA-N 2 2 301.478 3.460 20 0 DGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361074763 286591708 /nfs/dbraw/zinc/59/17/08/286591708.db2.gz QMYDKPKOEICCKT-QGZVFWFLSA-N 2 2 321.465 3.107 20 0 DGADLP c1cc(C[NH2+]C2CCC3(CC3)CC2)cc(C[NH+]2CCOCC2)c1 ZINC000362927303 286877312 /nfs/dbraw/zinc/87/73/12/286877312.db2.gz HBIWBGASVDTOMD-UHFFFAOYSA-N 2 2 314.473 3.331 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422801043 287041088 /nfs/dbraw/zinc/04/10/88/287041088.db2.gz DLHAKDFWUYRBGU-RDTXWAMCSA-N 2 2 315.461 3.045 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874474 287041189 /nfs/dbraw/zinc/04/11/89/287041189.db2.gz DASOZPGIIAUGDR-MBOZVWFJSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874474 287041190 /nfs/dbraw/zinc/04/11/90/287041190.db2.gz DASOZPGIIAUGDR-MBOZVWFJSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000364736302 287056421 /nfs/dbraw/zinc/05/64/21/287056421.db2.gz GTQWKDDGFLMBLL-PKOBYXMFSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000364736302 287056422 /nfs/dbraw/zinc/05/64/22/287056422.db2.gz GTQWKDDGFLMBLL-PKOBYXMFSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)cc[nH+]1 ZINC000184002283 164964343 /nfs/dbraw/zinc/96/43/43/164964343.db2.gz FQWRLERRPRFWET-UHFFFAOYSA-N 2 2 318.371 3.045 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000189140032 165149690 /nfs/dbraw/zinc/14/96/90/165149690.db2.gz AIWALNVSTDHFGR-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000189140032 165149694 /nfs/dbraw/zinc/14/96/94/165149694.db2.gz AIWALNVSTDHFGR-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP c1ccc(NCCC[NH2+]Cc2ccc(OCC3CC3)cc2)[nH+]c1 ZINC000191296794 165241810 /nfs/dbraw/zinc/24/18/10/165241810.db2.gz BJIIXGBEFHKHNF-UHFFFAOYSA-N 2 2 311.429 3.462 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cn1 ZINC000191400842 165248544 /nfs/dbraw/zinc/24/85/44/165248544.db2.gz OKDHYMLKUYZRTK-SFHVURJKSA-N 2 2 318.509 3.232 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cn1 ZINC000191400842 165248548 /nfs/dbraw/zinc/24/85/48/165248548.db2.gz OKDHYMLKUYZRTK-SFHVURJKSA-N 2 2 318.509 3.232 20 0 DGADLP CC(C)N(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000191400842 165248551 /nfs/dbraw/zinc/24/85/51/165248551.db2.gz OKDHYMLKUYZRTK-SFHVURJKSA-N 2 2 318.509 3.232 20 0 DGADLP CC(C)N(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000191400842 165248554 /nfs/dbraw/zinc/24/85/54/165248554.db2.gz OKDHYMLKUYZRTK-SFHVURJKSA-N 2 2 318.509 3.232 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000192075620 165280359 /nfs/dbraw/zinc/28/03/59/165280359.db2.gz GEKZHWBJYZOTOF-QUCCMNQESA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000192075620 165280363 /nfs/dbraw/zinc/28/03/63/165280363.db2.gz GEKZHWBJYZOTOF-QUCCMNQESA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075620 165280365 /nfs/dbraw/zinc/28/03/65/165280365.db2.gz GEKZHWBJYZOTOF-QUCCMNQESA-N 3 2 324.472 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000192075620 165280368 /nfs/dbraw/zinc/28/03/68/165280368.db2.gz GEKZHWBJYZOTOF-QUCCMNQESA-N 3 2 324.472 3.097 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1F ZINC000192970373 165311735 /nfs/dbraw/zinc/31/17/35/165311735.db2.gz XTTYVYXPSANYNW-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1F ZINC000192970373 165311739 /nfs/dbraw/zinc/31/17/39/165311739.db2.gz XTTYVYXPSANYNW-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP Cc1cscc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000365874556 287183091 /nfs/dbraw/zinc/18/30/91/287183091.db2.gz DXKKHJLUQRWAQE-KSSFIOAISA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cscc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000365874556 287183093 /nfs/dbraw/zinc/18/30/93/287183093.db2.gz DXKKHJLUQRWAQE-KSSFIOAISA-N 2 2 315.486 3.452 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129160007 196024521 /nfs/dbraw/zinc/02/45/21/196024521.db2.gz LBZVGLGHZFSVPM-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129160007 196024523 /nfs/dbraw/zinc/02/45/23/196024523.db2.gz LBZVGLGHZFSVPM-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129160007 196024525 /nfs/dbraw/zinc/02/45/25/196024525.db2.gz LBZVGLGHZFSVPM-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@@H]21 ZINC000129160007 196024526 /nfs/dbraw/zinc/02/45/26/196024526.db2.gz LBZVGLGHZFSVPM-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129162993 196024660 /nfs/dbraw/zinc/02/46/60/196024660.db2.gz GPIOUOXBOFKITB-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129162993 196024661 /nfs/dbraw/zinc/02/46/61/196024661.db2.gz GPIOUOXBOFKITB-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129162993 196024663 /nfs/dbraw/zinc/02/46/63/196024663.db2.gz GPIOUOXBOFKITB-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129162993 196024665 /nfs/dbraw/zinc/02/46/65/196024665.db2.gz GPIOUOXBOFKITB-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129165296 196025969 /nfs/dbraw/zinc/02/59/69/196025969.db2.gz ZVDLELRJLTUILK-LSDHHAIUSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129165296 196025971 /nfs/dbraw/zinc/02/59/71/196025971.db2.gz ZVDLELRJLTUILK-LSDHHAIUSA-N 2 2 308.853 3.055 20 0 DGADLP CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000129328758 196039801 /nfs/dbraw/zinc/03/98/01/196039801.db2.gz YGORDYSQGNGKST-HZPDHXFCSA-N 2 2 305.491 3.314 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000246715632 432157106 /nfs/dbraw/zinc/15/71/06/432157106.db2.gz FYSQEPKHHKHTRP-JKSUJKDBSA-N 2 2 320.481 3.149 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000246715632 432157111 /nfs/dbraw/zinc/15/71/11/432157111.db2.gz FYSQEPKHHKHTRP-JKSUJKDBSA-N 2 2 320.481 3.149 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000136896098 432164999 /nfs/dbraw/zinc/16/49/99/432164999.db2.gz YBRWYLXWOFLUHU-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000136896098 432165003 /nfs/dbraw/zinc/16/50/03/432165003.db2.gz YBRWYLXWOFLUHU-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC[NH2+]C1 ZINC000269364284 432165889 /nfs/dbraw/zinc/16/58/89/432165889.db2.gz UZOBZABTYNFWFF-SFHVURJKSA-N 2 2 312.417 3.159 20 0 DGADLP C[C@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000182218612 432167508 /nfs/dbraw/zinc/16/75/08/432167508.db2.gz BRTHICWGQFKQNZ-HOTGVXAUSA-N 2 2 321.465 3.278 20 0 DGADLP C[C@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000182218612 432167510 /nfs/dbraw/zinc/16/75/10/432167510.db2.gz BRTHICWGQFKQNZ-HOTGVXAUSA-N 2 2 321.465 3.278 20 0 DGADLP C[NH+]1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000182274072 432173212 /nfs/dbraw/zinc/17/32/12/432173212.db2.gz VUCNWIFICMNRDX-UHFFFAOYSA-N 2 2 309.251 3.122 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Br)ccc1F ZINC000149265005 432189243 /nfs/dbraw/zinc/18/92/43/432189243.db2.gz XRRAGJRJVNKWIV-SNVBAGLBSA-N 2 2 303.219 3.191 20 0 DGADLP COc1cccc([C@@H](CNc2[nH+]c3ccccc3n2C)[NH+](C)C)c1 ZINC000172156358 432200349 /nfs/dbraw/zinc/20/03/49/432200349.db2.gz JVOCCRFMGNNDJV-GOSISDBHSA-N 2 2 324.428 3.297 20 0 DGADLP Fc1cccc(Cl)c1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172650984 432225157 /nfs/dbraw/zinc/22/51/57/432225157.db2.gz FIXGMTUSOKKBNY-AWEZNQCLSA-N 2 2 310.844 3.439 20 0 DGADLP Fc1cccc(Cl)c1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172650984 432225160 /nfs/dbraw/zinc/22/51/60/432225160.db2.gz FIXGMTUSOKKBNY-AWEZNQCLSA-N 2 2 310.844 3.439 20 0 DGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000182774442 432227474 /nfs/dbraw/zinc/22/74/74/432227474.db2.gz FUOIHEFGGSGCGE-MRXNPFEDSA-N 2 2 301.434 3.235 20 0 DGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000182774442 432227480 /nfs/dbraw/zinc/22/74/80/432227480.db2.gz FUOIHEFGGSGCGE-MRXNPFEDSA-N 2 2 301.434 3.235 20 0 DGADLP C[C@H](CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000191074314 432216866 /nfs/dbraw/zinc/21/68/66/432216866.db2.gz FAIZKKQDCVOQEO-MOPGFXCFSA-N 2 2 316.489 3.224 20 0 DGADLP C[C@H](CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000191074314 432216871 /nfs/dbraw/zinc/21/68/71/432216871.db2.gz FAIZKKQDCVOQEO-MOPGFXCFSA-N 2 2 316.489 3.224 20 0 DGADLP C[C@@H](CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000191074298 432218131 /nfs/dbraw/zinc/21/81/31/432218131.db2.gz FAIZKKQDCVOQEO-OALUTQOASA-N 2 2 316.489 3.224 20 0 DGADLP C[C@@H](CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000191074298 432218132 /nfs/dbraw/zinc/21/81/32/432218132.db2.gz FAIZKKQDCVOQEO-OALUTQOASA-N 2 2 316.489 3.224 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000247283568 432218312 /nfs/dbraw/zinc/21/83/12/432218312.db2.gz YRSOXTZMGBBKDG-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000247283568 432218315 /nfs/dbraw/zinc/21/83/15/432218315.db2.gz YRSOXTZMGBBKDG-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000247283568 432218320 /nfs/dbraw/zinc/21/83/20/432218320.db2.gz YRSOXTZMGBBKDG-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(C(C)(C)C)s3)CC[C@@H]21 ZINC000247283568 432218321 /nfs/dbraw/zinc/21/83/21/432218321.db2.gz YRSOXTZMGBBKDG-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(Br)o1)C(C)(C)C ZINC000191095552 432219148 /nfs/dbraw/zinc/21/91/48/432219148.db2.gz VEJFELHYNXJKKV-LBPRGKRZSA-N 2 2 317.271 3.498 20 0 DGADLP Clc1ccc(N2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000151129517 432221390 /nfs/dbraw/zinc/22/13/90/432221390.db2.gz WIQJVROUVIZCQD-UHFFFAOYSA-N 2 2 318.852 3.185 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610039 196184249 /nfs/dbraw/zinc/18/42/49/196184249.db2.gz NRJXLKIBYKAGTB-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610039 196184251 /nfs/dbraw/zinc/18/42/51/196184251.db2.gz NRJXLKIBYKAGTB-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131791216 196199739 /nfs/dbraw/zinc/19/97/39/196199739.db2.gz BGAVBOULCZEMFN-KRWDZBQOSA-N 2 2 309.417 3.090 20 0 DGADLP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131791216 196199741 /nfs/dbraw/zinc/19/97/41/196199741.db2.gz BGAVBOULCZEMFN-KRWDZBQOSA-N 2 2 309.417 3.090 20 0 DGADLP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132806694 196285806 /nfs/dbraw/zinc/28/58/06/196285806.db2.gz FIQLMOIVBGQLPZ-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132806694 196285808 /nfs/dbraw/zinc/28/58/08/196285808.db2.gz FIQLMOIVBGQLPZ-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132806471 196286483 /nfs/dbraw/zinc/28/64/83/196286483.db2.gz FIQLMOIVBGQLPZ-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132806471 196286484 /nfs/dbraw/zinc/28/64/84/196286484.db2.gz FIQLMOIVBGQLPZ-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580133 287273280 /nfs/dbraw/zinc/27/32/80/287273280.db2.gz CDWCYHBDXNNSRA-GUDVDZBRSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580133 287273284 /nfs/dbraw/zinc/27/32/84/287273284.db2.gz CDWCYHBDXNNSRA-GUDVDZBRSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580133 287273286 /nfs/dbraw/zinc/27/32/86/287273286.db2.gz CDWCYHBDXNNSRA-GUDVDZBRSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580133 287273289 /nfs/dbraw/zinc/27/32/89/287273289.db2.gz CDWCYHBDXNNSRA-GUDVDZBRSA-N 3 2 307.526 3.057 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000134133295 196364399 /nfs/dbraw/zinc/36/43/99/196364399.db2.gz PYHZIOIRKVWJED-HOCLYGCPSA-N 2 2 318.490 3.452 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295925822 225385911 /nfs/dbraw/zinc/38/59/11/225385911.db2.gz FINUDRALHJXWRM-NEWSRXKRSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000295925822 225385916 /nfs/dbraw/zinc/38/59/16/225385916.db2.gz FINUDRALHJXWRM-NEWSRXKRSA-N 2 2 314.473 3.341 20 0 DGADLP CCc1nc(NCc2cc(C)[nH+]c(N3CCCC3)c2)cc(C)[nH+]1 ZINC000291075500 222118857 /nfs/dbraw/zinc/11/88/57/222118857.db2.gz HOEFPXRVVDOTSX-UHFFFAOYSA-N 2 2 311.433 3.263 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc2)c1C ZINC000291266926 222271766 /nfs/dbraw/zinc/27/17/66/222271766.db2.gz SSHBTUSFDDSBQY-QGZVFWFLSA-N 2 2 314.433 3.014 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000291290254 222290158 /nfs/dbraw/zinc/29/01/58/222290158.db2.gz VPYUDDHSMCAINY-UHFFFAOYSA-N 2 2 313.376 3.433 20 0 DGADLP Cc1cccc(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000299601696 229250898 /nfs/dbraw/zinc/25/08/98/229250898.db2.gz QTSQNGQLXNONLS-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000299601696 229250901 /nfs/dbraw/zinc/25/09/01/229250901.db2.gz QTSQNGQLXNONLS-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000302069167 230077037 /nfs/dbraw/zinc/07/70/37/230077037.db2.gz XULUOZVPSBKJIE-UHFFFAOYSA-N 2 2 320.440 3.223 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000302069167 230077039 /nfs/dbraw/zinc/07/70/39/230077039.db2.gz XULUOZVPSBKJIE-UHFFFAOYSA-N 2 2 320.440 3.223 20 0 DGADLP Cc1cccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000302241489 230196860 /nfs/dbraw/zinc/19/68/60/230196860.db2.gz OCIYPIXOAKZMTH-UHFFFAOYSA-N 2 2 324.472 3.010 20 0 DGADLP Cc1cccc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)[nH+]1 ZINC000302241489 230196863 /nfs/dbraw/zinc/19/68/63/230196863.db2.gz OCIYPIXOAKZMTH-UHFFFAOYSA-N 2 2 324.472 3.010 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000237246943 263856018 /nfs/dbraw/zinc/85/60/18/263856018.db2.gz SACILTWTNFIEQS-QGZVFWFLSA-N 2 2 304.478 3.482 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000237545263 263859096 /nfs/dbraw/zinc/85/90/96/263859096.db2.gz VKMXVIUVXJNIQI-HNNXBMFYSA-N 2 2 321.896 3.240 20 0 DGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000346313428 264008510 /nfs/dbraw/zinc/00/85/10/264008510.db2.gz QLBLNAHFBPFPOA-DLBZAZTESA-N 2 2 305.466 3.333 20 0 DGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000346313428 264008511 /nfs/dbraw/zinc/00/85/11/264008511.db2.gz QLBLNAHFBPFPOA-DLBZAZTESA-N 2 2 305.466 3.333 20 0 DGADLP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000346356069 264017074 /nfs/dbraw/zinc/01/70/74/264017074.db2.gz CDCYAIWCUONRHO-KBPBESRZSA-N 2 2 322.415 3.198 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346452584 264034424 /nfs/dbraw/zinc/03/44/24/264034424.db2.gz QZOLMDJQHXXKSY-QXAKKESOSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346452584 264034425 /nfs/dbraw/zinc/03/44/25/264034425.db2.gz QZOLMDJQHXXKSY-QXAKKESOSA-N 2 2 304.478 3.038 20 0 DGADLP c1ccc(SCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346472033 264037874 /nfs/dbraw/zinc/03/78/74/264037874.db2.gz AFVASUODXRSKLQ-INIZCTEOSA-N 2 2 300.427 3.327 20 0 DGADLP c1ccc(SCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346472033 264037876 /nfs/dbraw/zinc/03/78/76/264037876.db2.gz AFVASUODXRSKLQ-INIZCTEOSA-N 2 2 300.427 3.327 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccco2)cc1 ZINC000346579434 264058521 /nfs/dbraw/zinc/05/85/21/264058521.db2.gz WRZSBGPCZQSZRP-GMBSWORKSA-N 2 2 314.429 3.450 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccco2)cc1 ZINC000346579434 264058524 /nfs/dbraw/zinc/05/85/24/264058524.db2.gz WRZSBGPCZQSZRP-GMBSWORKSA-N 2 2 314.429 3.450 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795051 264098333 /nfs/dbraw/zinc/09/83/33/264098333.db2.gz MQYBMWFHJWMOMB-PWSUYJOCSA-N 2 2 309.866 3.380 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795051 264098336 /nfs/dbraw/zinc/09/83/36/264098336.db2.gz MQYBMWFHJWMOMB-PWSUYJOCSA-N 2 2 309.866 3.380 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346801449 264099068 /nfs/dbraw/zinc/09/90/68/264099068.db2.gz SHWJQOWXEDYJAB-UAGQMJEPSA-N 2 2 320.477 3.097 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346801449 264099071 /nfs/dbraw/zinc/09/90/71/264099071.db2.gz SHWJQOWXEDYJAB-UAGQMJEPSA-N 2 2 320.477 3.097 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000346797559 264099693 /nfs/dbraw/zinc/09/96/93/264099693.db2.gz OETJNSUSRYSTHU-QMTMVMCOSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000346797559 264099695 /nfs/dbraw/zinc/09/96/95/264099695.db2.gz OETJNSUSRYSTHU-QMTMVMCOSA-N 3 2 312.461 3.314 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000346864822 264111563 /nfs/dbraw/zinc/11/15/63/264111563.db2.gz ZCLILTJAMPJJSO-QGZVFWFLSA-N 2 2 310.445 3.251 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000346864822 264111566 /nfs/dbraw/zinc/11/15/66/264111566.db2.gz ZCLILTJAMPJJSO-QGZVFWFLSA-N 2 2 310.445 3.251 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CCCC1 ZINC000346948781 264125870 /nfs/dbraw/zinc/12/58/70/264125870.db2.gz ABRIKWPFJHLDHG-PBHICJAKSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@@H]1C[NH3+] ZINC000347002250 264136849 /nfs/dbraw/zinc/13/68/49/264136849.db2.gz ILSCGUKLFWYAMJ-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@@H]1C[NH3+] ZINC000347002250 264136851 /nfs/dbraw/zinc/13/68/51/264136851.db2.gz ILSCGUKLFWYAMJ-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@H]1C[NH3+] ZINC000347003970 264138126 /nfs/dbraw/zinc/13/81/26/264138126.db2.gz AHYMOCVNBFHHRM-DYVFJYSZSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@H]1C[NH3+] ZINC000347003970 264138127 /nfs/dbraw/zinc/13/81/27/264138127.db2.gz AHYMOCVNBFHHRM-DYVFJYSZSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@H]1C[NH3+] ZINC000347005072 264138318 /nfs/dbraw/zinc/13/83/18/264138318.db2.gz AXPMINRXVXZECH-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@H]1C[NH3+] ZINC000347005072 264138320 /nfs/dbraw/zinc/13/83/20/264138320.db2.gz AXPMINRXVXZECH-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347010021 264138896 /nfs/dbraw/zinc/13/88/96/264138896.db2.gz SZBUVNCVENTLQP-HZPDHXFCSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347010021 264138899 /nfs/dbraw/zinc/13/88/99/264138899.db2.gz SZBUVNCVENTLQP-HZPDHXFCSA-N 2 2 321.896 3.018 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OC ZINC000347086453 264153664 /nfs/dbraw/zinc/15/36/64/264153664.db2.gz DVZJSGVCERVUDO-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OC ZINC000347086453 264153666 /nfs/dbraw/zinc/15/36/66/264153666.db2.gz DVZJSGVCERVUDO-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347085029 264154328 /nfs/dbraw/zinc/15/43/28/264154328.db2.gz WCCAVKPHDKLCNE-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347085029 264154330 /nfs/dbraw/zinc/15/43/30/264154330.db2.gz WCCAVKPHDKLCNE-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000347085029 264154332 /nfs/dbraw/zinc/15/43/32/264154332.db2.gz WCCAVKPHDKLCNE-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000347085029 264154334 /nfs/dbraw/zinc/15/43/34/264154334.db2.gz WCCAVKPHDKLCNE-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000347090393 264154662 /nfs/dbraw/zinc/15/46/62/264154662.db2.gz FYUWJDDOOOGCPR-IUODEOHRSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000347090393 264154663 /nfs/dbraw/zinc/15/46/63/264154663.db2.gz FYUWJDDOOOGCPR-IUODEOHRSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H]1C[NH3+] ZINC000347090392 264154688 /nfs/dbraw/zinc/15/46/88/264154688.db2.gz FYUWJDDOOOGCPR-DOMZBBRYSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H]1C[NH3+] ZINC000347090392 264154689 /nfs/dbraw/zinc/15/46/89/264154689.db2.gz FYUWJDDOOOGCPR-DOMZBBRYSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000347097327 264156037 /nfs/dbraw/zinc/15/60/37/264156037.db2.gz IFBSEQYJJSAGAI-BXKDBHETSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000347097327 264156040 /nfs/dbraw/zinc/15/60/40/264156040.db2.gz IFBSEQYJJSAGAI-BXKDBHETSA-N 2 2 304.768 3.111 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347127265 264161356 /nfs/dbraw/zinc/16/13/56/264161356.db2.gz UYOJKTFZNLSGDT-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347127265 264161357 /nfs/dbraw/zinc/16/13/57/264161357.db2.gz UYOJKTFZNLSGDT-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145897 264164650 /nfs/dbraw/zinc/16/46/50/264164650.db2.gz YNGYEZFXGQEZJI-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145897 264164651 /nfs/dbraw/zinc/16/46/51/264164651.db2.gz YNGYEZFXGQEZJI-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C2CCCCC2)n1 ZINC000347234764 264181032 /nfs/dbraw/zinc/18/10/32/264181032.db2.gz ZXFBISZGDAUJKW-JWTNVVGKSA-N 2 2 316.493 3.183 20 0 DGADLP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C2CCCCC2)n1 ZINC000347234764 264181034 /nfs/dbraw/zinc/18/10/34/264181034.db2.gz ZXFBISZGDAUJKW-JWTNVVGKSA-N 2 2 316.493 3.183 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000347363685 264207125 /nfs/dbraw/zinc/20/71/25/264207125.db2.gz PMZKNYHGMNYIAI-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000347363685 264207127 /nfs/dbraw/zinc/20/71/27/264207127.db2.gz PMZKNYHGMNYIAI-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCn1cc[nH+]c1 ZINC000347398588 264214108 /nfs/dbraw/zinc/21/41/08/264214108.db2.gz YBTZKYWFQHHABI-GFCCVEGCSA-N 2 2 320.234 3.092 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCn1cc[nH+]c1 ZINC000347398588 264214109 /nfs/dbraw/zinc/21/41/09/264214109.db2.gz YBTZKYWFQHHABI-GFCCVEGCSA-N 2 2 320.234 3.092 20 0 DGADLP COc1cc[nH+]c(CN(CC[NH+]2CCCCCC2)C2CCC2)c1 ZINC000347479127 264227722 /nfs/dbraw/zinc/22/77/22/264227722.db2.gz RILBLDDOSVYNKZ-UHFFFAOYSA-N 2 2 317.477 3.321 20 0 DGADLP c1cn(CCC[N@H+](CCN2CCCCCC2)C2CCC2)c[nH+]1 ZINC000347487096 264229043 /nfs/dbraw/zinc/22/90/43/264229043.db2.gz XSSUXIYRUMMKAT-UHFFFAOYSA-N 2 2 304.482 3.004 20 0 DGADLP c1cn(CCC[N@@H+](CCN2CCCCCC2)C2CCC2)c[nH+]1 ZINC000347487096 264229045 /nfs/dbraw/zinc/22/90/45/264229045.db2.gz XSSUXIYRUMMKAT-UHFFFAOYSA-N 2 2 304.482 3.004 20 0 DGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1cccc(F)c1 ZINC000347672539 264264564 /nfs/dbraw/zinc/26/45/64/264264564.db2.gz LZCRAEMLASEZFF-UHFFFAOYSA-N 2 2 307.438 3.366 20 0 DGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1cccc(F)c1 ZINC000347672539 264264568 /nfs/dbraw/zinc/26/45/68/264264568.db2.gz LZCRAEMLASEZFF-UHFFFAOYSA-N 2 2 307.438 3.366 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000347793321 264286082 /nfs/dbraw/zinc/28/60/82/264286082.db2.gz WULXZIRYNMLGOR-AWEZNQCLSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000347793321 264286083 /nfs/dbraw/zinc/28/60/83/264286083.db2.gz WULXZIRYNMLGOR-AWEZNQCLSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000347846967 264293962 /nfs/dbraw/zinc/29/39/62/264293962.db2.gz KMKBQQFDNHHERS-LBPRGKRZSA-N 2 2 322.503 3.041 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000347846967 264293963 /nfs/dbraw/zinc/29/39/63/264293963.db2.gz KMKBQQFDNHHERS-LBPRGKRZSA-N 2 2 322.503 3.041 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)s1 ZINC000347850911 264294977 /nfs/dbraw/zinc/29/49/77/264294977.db2.gz GGNTYOGTLLXNTM-OAHLLOKOSA-N 2 2 301.459 3.022 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H]2Cc2ccccc2)s1 ZINC000347850911 264294978 /nfs/dbraw/zinc/29/49/78/264294978.db2.gz GGNTYOGTLLXNTM-OAHLLOKOSA-N 2 2 301.459 3.022 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccccc1 ZINC000347929790 264308235 /nfs/dbraw/zinc/30/82/35/264308235.db2.gz SGDRGGHUUHDAGI-CXAGYDPISA-N 2 2 301.459 3.398 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccccc1 ZINC000347929790 264308237 /nfs/dbraw/zinc/30/82/37/264308237.db2.gz SGDRGGHUUHDAGI-CXAGYDPISA-N 2 2 301.459 3.398 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000347998386 264321439 /nfs/dbraw/zinc/32/14/39/264321439.db2.gz IOCXVOKPXPSAFU-WMZOPIPTSA-N 2 2 304.503 3.481 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000347998386 264321441 /nfs/dbraw/zinc/32/14/41/264321441.db2.gz IOCXVOKPXPSAFU-WMZOPIPTSA-N 2 2 304.503 3.481 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(F)cn1 ZINC000348085789 264336263 /nfs/dbraw/zinc/33/62/63/264336263.db2.gz NBHYPCMZEJEYAJ-CQSZACIVSA-N 2 2 309.429 3.002 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncccc2O)cc1 ZINC000348094829 264339619 /nfs/dbraw/zinc/33/96/19/264339619.db2.gz ZRENDBWBELGCQK-CYBMUJFWSA-N 2 2 308.385 3.132 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150719 264353032 /nfs/dbraw/zinc/35/30/32/264353032.db2.gz FTQNPAONPISYCX-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150719 264353034 /nfs/dbraw/zinc/35/30/34/264353034.db2.gz FTQNPAONPISYCX-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150719 264353036 /nfs/dbraw/zinc/35/30/36/264353036.db2.gz FTQNPAONPISYCX-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000348150719 264353038 /nfs/dbraw/zinc/35/30/38/264353038.db2.gz FTQNPAONPISYCX-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP CSC1(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000348183368 264359130 /nfs/dbraw/zinc/35/91/30/264359130.db2.gz BDKRIPVAKNTZEI-QGZVFWFLSA-N 2 2 304.503 3.382 20 0 DGADLP CSC1(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000348183368 264359131 /nfs/dbraw/zinc/35/91/31/264359131.db2.gz BDKRIPVAKNTZEI-QGZVFWFLSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348243104 264372791 /nfs/dbraw/zinc/37/27/91/264372791.db2.gz LEZQXYLQFIANKG-SOLBZPMBSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348243104 264372793 /nfs/dbraw/zinc/37/27/93/264372793.db2.gz LEZQXYLQFIANKG-SOLBZPMBSA-N 2 2 319.518 3.025 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC=C(c3ccccc3)C2)s1 ZINC000348286301 264382835 /nfs/dbraw/zinc/38/28/35/264382835.db2.gz YTWWVMFJYYDDBW-UHFFFAOYSA-N 2 2 313.470 3.494 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC=C(c3ccccc3)C2)s1 ZINC000348286301 264382836 /nfs/dbraw/zinc/38/28/36/264382836.db2.gz YTWWVMFJYYDDBW-UHFFFAOYSA-N 2 2 313.470 3.494 20 0 DGADLP OC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348682585 264437871 /nfs/dbraw/zinc/43/78/71/264437871.db2.gz NFTYLABVNGPKCV-VAMGGRTRSA-N 2 2 316.489 3.039 20 0 DGADLP OC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348682585 264437874 /nfs/dbraw/zinc/43/78/74/264437874.db2.gz NFTYLABVNGPKCV-VAMGGRTRSA-N 2 2 316.489 3.039 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000352348612 265010053 /nfs/dbraw/zinc/01/00/53/265010053.db2.gz BRPNYUHENPNKIY-AWEZNQCLSA-N 2 2 301.390 3.291 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606116 265102625 /nfs/dbraw/zinc/10/26/25/265102625.db2.gz UYCKPCQPAFGFAH-NVXWUHKLSA-N 2 2 319.493 3.326 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCCC(C)(C)C ZINC000352606116 265102629 /nfs/dbraw/zinc/10/26/29/265102629.db2.gz UYCKPCQPAFGFAH-NVXWUHKLSA-N 2 2 319.493 3.326 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1F ZINC000352701629 265134740 /nfs/dbraw/zinc/13/47/40/265134740.db2.gz LUKHNFVVBDREMS-RKVPGOIHSA-N 2 2 308.441 3.366 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000352732996 265144888 /nfs/dbraw/zinc/14/48/88/265144888.db2.gz BAWLRLYZIOJKMV-JXFKEZNVSA-N 2 2 309.457 3.254 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000352732996 265144891 /nfs/dbraw/zinc/14/48/91/265144891.db2.gz BAWLRLYZIOJKMV-JXFKEZNVSA-N 2 2 309.457 3.254 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000352735777 265145146 /nfs/dbraw/zinc/14/51/46/265145146.db2.gz IXDVLELSOPHMJN-HNNXBMFYSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749671 265151147 /nfs/dbraw/zinc/15/11/47/265151147.db2.gz NQXWNEJSMVWFHP-YVEFUNNKSA-N 2 2 301.459 3.228 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cn1 ZINC000352795094 265171246 /nfs/dbraw/zinc/17/12/46/265171246.db2.gz JGLAZNXWIXCTNA-UKRRQHHQSA-N 2 2 302.397 3.344 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc2C1 ZINC000352855468 265201094 /nfs/dbraw/zinc/20/10/94/265201094.db2.gz YDTPZAFHGCDRPG-GFCCVEGCSA-N 2 2 316.474 3.371 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000352927178 265233067 /nfs/dbraw/zinc/23/30/67/265233067.db2.gz ZVEHHPMSRMRWHJ-RDJZCZTQSA-N 2 2 318.461 3.001 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000352927178 265233070 /nfs/dbraw/zinc/23/30/70/265233070.db2.gz ZVEHHPMSRMRWHJ-RDJZCZTQSA-N 2 2 318.461 3.001 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000352976466 265253057 /nfs/dbraw/zinc/25/30/57/265253057.db2.gz KPYKTMWRXLTNLH-RXBGNRNISA-N 2 2 311.429 3.037 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)NCc1c[nH+]c2ccc(Cl)cn12 ZINC000353063283 265283601 /nfs/dbraw/zinc/28/36/01/265283601.db2.gz SKBUDOGRDHKQTJ-CYBMUJFWSA-N 2 2 308.857 3.198 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)NCc1c[nH+]c2ccc(Cl)cn12 ZINC000353063283 265283604 /nfs/dbraw/zinc/28/36/04/265283604.db2.gz SKBUDOGRDHKQTJ-CYBMUJFWSA-N 2 2 308.857 3.198 20 0 DGADLP Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000353072588 265288092 /nfs/dbraw/zinc/28/80/92/265288092.db2.gz MQOLBRXCSNYHOG-GOSISDBHSA-N 2 2 319.408 3.274 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236739 265356758 /nfs/dbraw/zinc/35/67/58/265356758.db2.gz RJEQXYWHJTVZSR-ZBFHGGJFSA-N 2 2 318.452 3.147 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236739 265356759 /nfs/dbraw/zinc/35/67/59/265356759.db2.gz RJEQXYWHJTVZSR-ZBFHGGJFSA-N 2 2 318.452 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCC(F)(F)CC1 ZINC000353280645 265372995 /nfs/dbraw/zinc/37/29/95/265372995.db2.gz WDFMPIQXZHJNRB-TZMCWYRMSA-N 2 2 306.466 3.227 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000353283334 265373309 /nfs/dbraw/zinc/37/33/09/265373309.db2.gz PPGOBXJPHJBQCL-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP COCCNc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354330387 265741372 /nfs/dbraw/zinc/74/13/72/265741372.db2.gz OEJHSKXOOQKNOO-UHFFFAOYSA-N 2 2 313.445 3.171 20 0 DGADLP COC1(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)CCC(C)CC1 ZINC000355409340 266065270 /nfs/dbraw/zinc/06/52/70/266065270.db2.gz DRMKKXWFYYREEJ-UHFFFAOYSA-N 2 2 301.434 3.328 20 0 DGADLP CC[N@H+](C)[C@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000355478837 266088062 /nfs/dbraw/zinc/08/80/62/266088062.db2.gz XMYWTCXLZVJHAP-KRWDZBQOSA-N 2 2 322.412 3.274 20 0 DGADLP CC[N@@H+](C)[C@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000355478837 266088063 /nfs/dbraw/zinc/08/80/63/266088063.db2.gz XMYWTCXLZVJHAP-KRWDZBQOSA-N 2 2 322.412 3.274 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000356105720 266284960 /nfs/dbraw/zinc/28/49/60/266284960.db2.gz JLZFZWGXWRAHKU-OAHLLOKOSA-N 2 2 321.384 3.098 20 0 DGADLP CC(C)[NH+](CCN(C)CCc1[nH+]c2ccccc2n1C)C(C)C ZINC000356348110 266360825 /nfs/dbraw/zinc/36/08/25/266360825.db2.gz CMADDVMABJGJLL-UHFFFAOYSA-N 2 2 316.493 3.166 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c[nH+]1 ZINC000356373956 266372263 /nfs/dbraw/zinc/37/22/63/266372263.db2.gz WGACHCVGPQENAU-PMACEKPBSA-N 2 2 310.441 3.078 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1nccn1C ZINC000182980037 432246191 /nfs/dbraw/zinc/24/61/91/432246191.db2.gz RIKRLYSJGHHYKY-HZPDHXFCSA-N 2 2 312.461 3.296 20 0 DGADLP CC(C)(C)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000359871959 271005682 /nfs/dbraw/zinc/00/56/82/271005682.db2.gz KKAZSLJUUKJSRF-GOSISDBHSA-N 2 2 322.468 3.177 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885418 271009904 /nfs/dbraw/zinc/00/99/04/271009904.db2.gz KGWPVOJJLKJTHI-AEFFLSMTSA-N 2 2 302.462 3.372 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885418 271009907 /nfs/dbraw/zinc/00/99/07/271009907.db2.gz KGWPVOJJLKJTHI-AEFFLSMTSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885418 271009909 /nfs/dbraw/zinc/00/99/09/271009909.db2.gz KGWPVOJJLKJTHI-AEFFLSMTSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000359885418 271009912 /nfs/dbraw/zinc/00/99/12/271009912.db2.gz KGWPVOJJLKJTHI-AEFFLSMTSA-N 2 2 302.462 3.372 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000359908185 271016355 /nfs/dbraw/zinc/01/63/55/271016355.db2.gz XNXLJLFBPSZDNA-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000359908185 271016358 /nfs/dbraw/zinc/01/63/58/271016358.db2.gz XNXLJLFBPSZDNA-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000359908185 271016362 /nfs/dbraw/zinc/01/63/62/271016362.db2.gz XNXLJLFBPSZDNA-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000359908185 271016366 /nfs/dbraw/zinc/01/63/66/271016366.db2.gz XNXLJLFBPSZDNA-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccoc1 ZINC000367590535 271047527 /nfs/dbraw/zinc/04/75/27/271047527.db2.gz UQAVQYGTOYYFFL-SQNIBIBYSA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccoc1 ZINC000367590535 271047529 /nfs/dbraw/zinc/04/75/29/271047529.db2.gz UQAVQYGTOYYFFL-SQNIBIBYSA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367608101 271050972 /nfs/dbraw/zinc/05/09/72/271050972.db2.gz QDCRRBHWMSWGOM-QGZVFWFLSA-N 2 2 304.482 3.494 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000367671846 271062833 /nfs/dbraw/zinc/06/28/33/271062833.db2.gz QSYCCLMBRKVFRP-IJXRJRJASA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000367671846 271062837 /nfs/dbraw/zinc/06/28/37/271062837.db2.gz QSYCCLMBRKVFRP-IJXRJRJASA-N 2 2 316.489 3.038 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3ccc(O)cc31)CCC2 ZINC000367759705 271073941 /nfs/dbraw/zinc/07/39/41/271073941.db2.gz VOUIVUDUQILQED-MAUKXSAKSA-N 2 2 311.429 3.442 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000368016282 271114613 /nfs/dbraw/zinc/11/46/13/271114613.db2.gz KGIMUUATEVATNJ-NXAVXKBCSA-N 2 2 306.400 3.426 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000368016282 271114617 /nfs/dbraw/zinc/11/46/17/271114617.db2.gz KGIMUUATEVATNJ-NXAVXKBCSA-N 2 2 306.400 3.426 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058571 271126365 /nfs/dbraw/zinc/12/63/65/271126365.db2.gz XEYWICOAOBDWPR-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058571 271126369 /nfs/dbraw/zinc/12/63/69/271126369.db2.gz XEYWICOAOBDWPR-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058571 271126373 /nfs/dbraw/zinc/12/63/73/271126373.db2.gz XEYWICOAOBDWPR-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058571 271126377 /nfs/dbraw/zinc/12/63/77/271126377.db2.gz XEYWICOAOBDWPR-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000368132756 271142547 /nfs/dbraw/zinc/14/25/47/271142547.db2.gz GVZOAOCBFNSVJT-QGZVFWFLSA-N 2 2 313.445 3.459 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000368132756 271142551 /nfs/dbraw/zinc/14/25/51/271142551.db2.gz GVZOAOCBFNSVJT-QGZVFWFLSA-N 2 2 313.445 3.459 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000370004504 271333989 /nfs/dbraw/zinc/33/39/89/271333989.db2.gz DGKSMCYTYGRRPR-HZPDHXFCSA-N 2 2 305.466 3.010 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000370004502 271334062 /nfs/dbraw/zinc/33/40/62/271334062.db2.gz DGKSMCYTYGRRPR-CVEARBPZSA-N 2 2 305.466 3.010 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000370634993 271376362 /nfs/dbraw/zinc/37/63/62/271376362.db2.gz NKCLMAGAUMTLDH-JYJNAYRXSA-N 2 2 308.491 3.288 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000370634993 271376366 /nfs/dbraw/zinc/37/63/66/271376366.db2.gz NKCLMAGAUMTLDH-JYJNAYRXSA-N 2 2 308.491 3.288 20 0 DGADLP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370711274 271384504 /nfs/dbraw/zinc/38/45/04/271384504.db2.gz PDIYENFAWOQRFX-IEBWSBKVSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370711274 271384509 /nfs/dbraw/zinc/38/45/09/271384509.db2.gz PDIYENFAWOQRFX-IEBWSBKVSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nccn1C ZINC000183066081 432254790 /nfs/dbraw/zinc/25/47/90/432254790.db2.gz WEUVSQXEPQSWKO-QGZVFWFLSA-N 2 2 304.482 3.258 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000423028617 273563285 /nfs/dbraw/zinc/56/32/85/273563285.db2.gz SSPUPRFONAKWMS-JTDSTZFVSA-N 2 2 304.478 3.098 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC2=CCCOC2)CC1 ZINC000279851444 274850542 /nfs/dbraw/zinc/85/05/42/274850542.db2.gz RTSAPCVDEFLUDQ-UHFFFAOYSA-N 2 2 311.429 3.328 20 0 DGADLP OCC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCCc2ccccc21 ZINC000180242709 275046666 /nfs/dbraw/zinc/04/66/66/275046666.db2.gz CNTMNWWBZDVHDF-LJQANCHMSA-N 2 2 321.424 3.206 20 0 DGADLP OCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCCc2ccccc21 ZINC000180242709 275046667 /nfs/dbraw/zinc/04/66/67/275046667.db2.gz CNTMNWWBZDVHDF-LJQANCHMSA-N 2 2 321.424 3.206 20 0 DGADLP c1cc2c(s1)CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152798269 275065574 /nfs/dbraw/zinc/06/55/74/275065574.db2.gz BNNKTZPFVJSGHD-HNNXBMFYSA-N 2 2 301.459 3.491 20 0 DGADLP Brc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423231333 275373743 /nfs/dbraw/zinc/37/37/43/275373743.db2.gz GITGQMONLKLJRB-NHYWBVRUSA-N 2 2 309.251 3.168 20 0 DGADLP CCCc1nc(C)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000428971488 276056996 /nfs/dbraw/zinc/05/69/96/276056996.db2.gz WHSBLAWAQUBOOS-UHFFFAOYSA-N 2 2 319.449 3.482 20 0 DGADLP CCCc1nc(C)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000428971488 276056998 /nfs/dbraw/zinc/05/69/98/276056998.db2.gz WHSBLAWAQUBOOS-UHFFFAOYSA-N 2 2 319.449 3.482 20 0 DGADLP CCCc1nc(C)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)o1 ZINC000428971488 276056999 /nfs/dbraw/zinc/05/69/99/276056999.db2.gz WHSBLAWAQUBOOS-UHFFFAOYSA-N 2 2 319.449 3.482 20 0 DGADLP CCCc1nc(C)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000428971488 276057000 /nfs/dbraw/zinc/05/70/00/276057000.db2.gz WHSBLAWAQUBOOS-UHFFFAOYSA-N 2 2 319.449 3.482 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427102069 276071165 /nfs/dbraw/zinc/07/11/65/276071165.db2.gz RIWZZGMPXNVYEK-APWZRJJASA-N 2 2 324.472 3.180 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427102069 276071167 /nfs/dbraw/zinc/07/11/67/276071167.db2.gz RIWZZGMPXNVYEK-APWZRJJASA-N 2 2 324.472 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420830 276105570 /nfs/dbraw/zinc/10/55/70/276105570.db2.gz GMYMTBATJVESIF-LPHOPBHVSA-N 3 2 307.526 3.103 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000134127167 276180409 /nfs/dbraw/zinc/18/04/09/276180409.db2.gz QLCZKCCYZQJKTK-FXAWDEMLSA-N 3 2 319.537 3.127 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C12CCC2 ZINC000344089683 276352708 /nfs/dbraw/zinc/35/27/08/276352708.db2.gz BCVDWSHJOQDGRA-OWCLPIDISA-N 2 2 303.450 3.006 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420359464 276372553 /nfs/dbraw/zinc/37/25/53/276372553.db2.gz KQRABSCUIICCIW-SFHVURJKSA-N 2 2 318.461 3.285 20 0 DGADLP C[NH+](C)Cc1cc(-c2ccc(NCCCCO)[nH+]c2)ccc1F ZINC000629738836 429961985 /nfs/dbraw/zinc/96/19/85/429961985.db2.gz RDZKQRKNRNJBBD-UHFFFAOYSA-N 2 2 317.408 3.134 20 0 DGADLP Cc1cccn2cc(CNc3cc(C(C)C)[nH+]c(N(C)C)n3)[nH+]c12 ZINC000538138688 430172755 /nfs/dbraw/zinc/17/27/55/430172755.db2.gz FKEOOMLXMVWDJS-UHFFFAOYSA-N 2 2 324.432 3.234 20 0 DGADLP C[NH+](C)[C@H](CNc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)cc1 ZINC000531095650 430133421 /nfs/dbraw/zinc/13/34/21/430133421.db2.gz HMAUWGJSOIUNTB-CQSZACIVSA-N 2 2 315.808 3.326 20 0 DGADLP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000449158352 277200911 /nfs/dbraw/zinc/20/09/11/277200911.db2.gz YNLMSIKPTKMGCW-MHJFOBGBSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000449158352 277200912 /nfs/dbraw/zinc/20/09/12/277200912.db2.gz YNLMSIKPTKMGCW-MHJFOBGBSA-N 2 2 316.489 3.446 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279839 277330750 /nfs/dbraw/zinc/33/07/50/277330750.db2.gz XDMJSKJKLPNZIS-KBAYOESNSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279839 277330751 /nfs/dbraw/zinc/33/07/51/277330751.db2.gz XDMJSKJKLPNZIS-KBAYOESNSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279839 277330752 /nfs/dbraw/zinc/33/07/52/277330752.db2.gz XDMJSKJKLPNZIS-KBAYOESNSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279839 277330753 /nfs/dbraw/zinc/33/07/53/277330753.db2.gz XDMJSKJKLPNZIS-KBAYOESNSA-N 2 2 322.880 3.444 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423528137 277445332 /nfs/dbraw/zinc/44/53/32/277445332.db2.gz NDOFNAXYDMZLDB-SLFFLAALSA-N 2 2 308.425 3.028 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040227400 278301409 /nfs/dbraw/zinc/30/14/09/278301409.db2.gz JFBSVELMQMWDKE-XHDPSFHLSA-N 2 2 320.234 3.311 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000423160895 278316208 /nfs/dbraw/zinc/31/62/08/278316208.db2.gz RELHASVLEMGAAE-VVWQDTPRSA-N 2 2 310.441 3.447 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000423575451 278340602 /nfs/dbraw/zinc/34/06/02/278340602.db2.gz QEJZORBCSIRDFA-MRXNPFEDSA-N 3 2 303.494 3.004 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705644 278373538 /nfs/dbraw/zinc/37/35/38/278373538.db2.gz CNVDCUXGUWHCKA-FXAWDEMLSA-N 3 2 315.505 3.150 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(OC)cc1 ZINC000119905580 288040258 /nfs/dbraw/zinc/04/02/58/288040258.db2.gz SEGMBOPPLXGTSH-MDZRGWNJSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccsc2S1 ZINC000427872811 278482688 /nfs/dbraw/zinc/48/26/88/278482688.db2.gz JXXHQGMITDBJEX-DMDPSCGWSA-N 2 2 305.472 3.475 20 0 DGADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422962773 278548903 /nfs/dbraw/zinc/54/89/03/278548903.db2.gz DETSPJJSBRACLJ-XLIONFOSSA-N 3 2 315.505 3.006 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000121964225 279027933 /nfs/dbraw/zinc/02/79/33/279027933.db2.gz DXDGBXOXJUVYJI-OKILXGFUSA-N 2 2 318.465 3.268 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000121964225 279027935 /nfs/dbraw/zinc/02/79/35/279027935.db2.gz DXDGBXOXJUVYJI-OKILXGFUSA-N 2 2 318.465 3.268 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000120310637 279027942 /nfs/dbraw/zinc/02/79/42/279027942.db2.gz WTFYEQHIVYZALE-SFHVURJKSA-N 2 2 324.428 3.349 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451793537 279170567 /nfs/dbraw/zinc/17/05/67/279170567.db2.gz BKQCHYOPIZZFDV-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451793537 279170569 /nfs/dbraw/zinc/17/05/69/279170569.db2.gz BKQCHYOPIZZFDV-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191398 279353225 /nfs/dbraw/zinc/35/32/25/279353225.db2.gz OGIFORMUVVMSHR-HOJAQTOUSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191398 279353228 /nfs/dbraw/zinc/35/32/28/279353228.db2.gz OGIFORMUVVMSHR-HOJAQTOUSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21 ZINC000423010920 279372639 /nfs/dbraw/zinc/37/26/39/279372639.db2.gz AGZOQTZQNSSLRR-IKGGRYGDSA-N 2 2 316.489 3.198 20 0 DGADLP c1cn(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000111243309 431198773 /nfs/dbraw/zinc/19/87/73/431198773.db2.gz HBXAATXTWBPXDA-UHFFFAOYSA-N 2 2 308.385 3.375 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074739 431239506 /nfs/dbraw/zinc/23/95/06/431239506.db2.gz XOIFWVOGWKNNQA-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074739 431239513 /nfs/dbraw/zinc/23/95/13/431239513.db2.gz XOIFWVOGWKNNQA-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP CC(C)[C@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000112198768 431255028 /nfs/dbraw/zinc/25/50/28/431255028.db2.gz NZZWKAAVVLAYHY-QGZVFWFLSA-N 2 2 313.401 3.399 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000071145631 431273681 /nfs/dbraw/zinc/27/36/81/431273681.db2.gz RZGOCWWXRIMWDW-CYBMUJFWSA-N 2 2 303.837 3.238 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000071145631 431273685 /nfs/dbraw/zinc/27/36/85/431273685.db2.gz RZGOCWWXRIMWDW-CYBMUJFWSA-N 2 2 303.837 3.238 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000113513743 431352296 /nfs/dbraw/zinc/35/22/96/431352296.db2.gz JYCGYFKNHLUSLK-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000113513743 431352301 /nfs/dbraw/zinc/35/23/01/431352301.db2.gz JYCGYFKNHLUSLK-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000114721858 431407998 /nfs/dbraw/zinc/40/79/98/431407998.db2.gz XGNRFHPQMFHHCT-CQSZACIVSA-N 2 2 323.400 3.331 20 0 DGADLP Cc1ncsc1C[NH+](C)CCC[N@@H+](C)Cc1scnc1C ZINC000077284468 431581621 /nfs/dbraw/zinc/58/16/21/431581621.db2.gz ROULFAXFDVWLNO-UHFFFAOYSA-N 2 2 324.519 3.170 20 0 DGADLP Cc1ncsc1C[NH+](C)CCC[N@H+](C)Cc1scnc1C ZINC000077284468 431581628 /nfs/dbraw/zinc/58/16/28/431581628.db2.gz ROULFAXFDVWLNO-UHFFFAOYSA-N 2 2 324.519 3.170 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000118972515 431629584 /nfs/dbraw/zinc/62/95/84/431629584.db2.gz IBWYWMCGHSDIEM-YJBOKZPZSA-N 2 2 300.450 3.165 20 0 DGADLP c1ccc(NCCCC[NH2+]CC2=Cc3ccccc3OC2)[nH+]c1 ZINC000119027093 431636663 /nfs/dbraw/zinc/63/66/63/431636663.db2.gz KPYDXNHHLIJJLG-UHFFFAOYSA-N 2 2 309.413 3.339 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422752192 280497201 /nfs/dbraw/zinc/49/72/01/280497201.db2.gz ASOGCNYXUVUQNO-SLFFLAALSA-N 2 2 324.472 3.273 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000119280678 431671908 /nfs/dbraw/zinc/67/19/08/431671908.db2.gz VJAYFWMZRGDZCQ-HNNXBMFYSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000119280678 431671914 /nfs/dbraw/zinc/67/19/14/431671914.db2.gz VJAYFWMZRGDZCQ-HNNXBMFYSA-N 2 2 304.438 3.166 20 0 DGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000119231262 431662358 /nfs/dbraw/zinc/66/23/58/431662358.db2.gz ZHRWJNNILOAKSC-SWLSCSKDSA-N 2 2 311.267 3.236 20 0 DGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000119231262 431662363 /nfs/dbraw/zinc/66/23/63/431662363.db2.gz ZHRWJNNILOAKSC-SWLSCSKDSA-N 2 2 311.267 3.236 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)[nH]c2c1 ZINC000121482896 431792193 /nfs/dbraw/zinc/79/21/93/431792193.db2.gz CELQHGNZGIJWTM-KKXDTOCCSA-N 2 2 311.429 3.043 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cncc(F)c1 ZINC000122799264 431844108 /nfs/dbraw/zinc/84/41/08/431844108.db2.gz LJEZBNNAUYQWKJ-HNNXBMFYSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cncc(F)c1 ZINC000122799264 431844110 /nfs/dbraw/zinc/84/41/10/431844110.db2.gz LJEZBNNAUYQWKJ-HNNXBMFYSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cncs1 ZINC000122773520 431844615 /nfs/dbraw/zinc/84/46/15/431844615.db2.gz PDOFNUGAKCSRLM-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cncs1 ZINC000122773520 431844616 /nfs/dbraw/zinc/84/46/16/431844616.db2.gz PDOFNUGAKCSRLM-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)s1 ZINC000038002179 431853188 /nfs/dbraw/zinc/85/31/88/431853188.db2.gz QNBRKVPWBNVWCK-SNVBAGLBSA-N 2 2 314.252 3.448 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000089555427 431870739 /nfs/dbraw/zinc/87/07/39/431870739.db2.gz JEDNJCZGPNRRGP-WMZOPIPTSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000089555427 431870741 /nfs/dbraw/zinc/87/07/41/431870741.db2.gz JEDNJCZGPNRRGP-WMZOPIPTSA-N 2 2 301.478 3.462 20 0 DGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(Br)o1 ZINC000124923521 431908321 /nfs/dbraw/zinc/90/83/21/431908321.db2.gz KNVHQJJSCFSAPX-UHFFFAOYSA-N 2 2 315.255 3.350 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(Br)o1 ZINC000124923521 431908323 /nfs/dbraw/zinc/90/83/23/431908323.db2.gz KNVHQJJSCFSAPX-UHFFFAOYSA-N 2 2 315.255 3.350 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)CC)CC1 ZINC000093302160 431914516 /nfs/dbraw/zinc/91/45/16/431914516.db2.gz ICYGFAKKMGDTTH-HNNXBMFYSA-N 2 2 301.434 3.007 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000125273721 431919137 /nfs/dbraw/zinc/91/91/37/431919137.db2.gz SMAOTVPDWPRKCC-CABCVRRESA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000125273721 431919139 /nfs/dbraw/zinc/91/91/39/431919139.db2.gz SMAOTVPDWPRKCC-CABCVRRESA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000125273721 431919143 /nfs/dbraw/zinc/91/91/43/431919143.db2.gz SMAOTVPDWPRKCC-CABCVRRESA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000125273721 431919145 /nfs/dbraw/zinc/91/91/45/431919145.db2.gz SMAOTVPDWPRKCC-CABCVRRESA-N 2 2 322.449 3.242 20 0 DGADLP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125413067 431924863 /nfs/dbraw/zinc/92/48/63/431924863.db2.gz HBZKVRDSGYUSSM-INIZCTEOSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684101 431876658 /nfs/dbraw/zinc/87/66/58/431876658.db2.gz JEMPFLIIYUTWNZ-SMDDNHRTSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684101 431876660 /nfs/dbraw/zinc/87/66/60/431876660.db2.gz JEMPFLIIYUTWNZ-SMDDNHRTSA-N 2 2 309.251 3.336 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)cc1 ZINC000124286340 431889087 /nfs/dbraw/zinc/88/90/87/431889087.db2.gz UDIUPAWVBZZAJY-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)cc1 ZINC000124286340 431889088 /nfs/dbraw/zinc/88/90/88/431889088.db2.gz UDIUPAWVBZZAJY-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP OC1CCC([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000090800670 431894874 /nfs/dbraw/zinc/89/48/74/431894874.db2.gz DRSASBRRNHNZDM-UHFFFAOYSA-N 2 2 322.880 3.198 20 0 DGADLP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126368043 431948895 /nfs/dbraw/zinc/94/88/95/431948895.db2.gz VEUWJDMOVSZWPM-CQSZACIVSA-N 2 2 322.412 3.435 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248137878 432269700 /nfs/dbraw/zinc/26/97/00/432269700.db2.gz PHULWXNSTOOVNI-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248137878 432269702 /nfs/dbraw/zinc/26/97/02/432269702.db2.gz PHULWXNSTOOVNI-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248137878 432269707 /nfs/dbraw/zinc/26/97/07/432269707.db2.gz PHULWXNSTOOVNI-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248137878 432269709 /nfs/dbraw/zinc/26/97/09/432269709.db2.gz PHULWXNSTOOVNI-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000248162699 432271301 /nfs/dbraw/zinc/27/13/01/432271301.db2.gz SKYOJOPSCINFHH-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000248162699 432271306 /nfs/dbraw/zinc/27/13/06/432271306.db2.gz SKYOJOPSCINFHH-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000248162699 432271309 /nfs/dbraw/zinc/27/13/09/432271309.db2.gz SKYOJOPSCINFHH-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000248162699 432271312 /nfs/dbraw/zinc/27/13/12/432271312.db2.gz SKYOJOPSCINFHH-ZFWWWQNUSA-N 2 2 307.507 3.357 20 0 DGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151778111 432274836 /nfs/dbraw/zinc/27/48/36/432274836.db2.gz DQYVKGVOFGIFGT-YLJYHZDGSA-N 2 2 316.489 3.130 20 0 DGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151778111 432274839 /nfs/dbraw/zinc/27/48/39/432274839.db2.gz DQYVKGVOFGIFGT-YLJYHZDGSA-N 2 2 316.489 3.130 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151775982 432275413 /nfs/dbraw/zinc/27/54/13/432275413.db2.gz WQAQMUJSFFSLIG-RTWAWAEBSA-N 2 2 324.468 3.147 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000151775982 432275416 /nfs/dbraw/zinc/27/54/16/432275416.db2.gz WQAQMUJSFFSLIG-RTWAWAEBSA-N 2 2 324.468 3.147 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000151779722 432275788 /nfs/dbraw/zinc/27/57/88/432275788.db2.gz DSLRCIVILIVKTF-HCXYKTFWSA-N 2 2 314.473 3.054 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000151779722 432275793 /nfs/dbraw/zinc/27/57/93/432275793.db2.gz DSLRCIVILIVKTF-HCXYKTFWSA-N 2 2 314.473 3.054 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@@H](C)C1 ZINC000248395351 432284540 /nfs/dbraw/zinc/28/45/40/432284540.db2.gz YSDRKPSQIXSKNN-BLLLJJGKSA-N 2 2 308.853 3.095 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@@H](C)C1 ZINC000248395351 432284543 /nfs/dbraw/zinc/28/45/43/432284543.db2.gz YSDRKPSQIXSKNN-BLLLJJGKSA-N 2 2 308.853 3.095 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000152001253 432296743 /nfs/dbraw/zinc/29/67/43/432296743.db2.gz KNLNQGKFJZUITE-BBRMVZONSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000152001253 432296747 /nfs/dbraw/zinc/29/67/47/432296747.db2.gz KNLNQGKFJZUITE-BBRMVZONSA-N 2 2 303.381 3.114 20 0 DGADLP Cc1ccc(OC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1C ZINC000183167745 432264808 /nfs/dbraw/zinc/26/48/08/432264808.db2.gz RTHUAGCRWMJFAQ-UHFFFAOYSA-N 2 2 313.445 3.433 20 0 DGADLP COC1CCC([NH2+]CCCc2[nH+]c3ccccc3n2C)CC1 ZINC000183164068 432265728 /nfs/dbraw/zinc/26/57/28/432265728.db2.gz JRLRQMYWOJZJTE-UHFFFAOYSA-N 2 2 301.434 3.053 20 0 DGADLP COCCOc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271051388 432323449 /nfs/dbraw/zinc/32/34/49/432323449.db2.gz WGSDPYOPVRJTQW-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP COCCOc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271051388 432323452 /nfs/dbraw/zinc/32/34/52/432323452.db2.gz WGSDPYOPVRJTQW-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP CCCCC[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192022532 432324797 /nfs/dbraw/zinc/32/47/97/432324797.db2.gz IRTSBIRBBDPTET-UHFFFAOYSA-N 2 2 301.434 3.165 20 0 DGADLP CCCCC[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192022532 432324800 /nfs/dbraw/zinc/32/48/00/432324800.db2.gz IRTSBIRBBDPTET-UHFFFAOYSA-N 2 2 301.434 3.165 20 0 DGADLP C[C@@H]([NH2+]C1(CNCc2c[nH+]cn2C)CCCC1)c1ccccc1 ZINC000152355305 432326866 /nfs/dbraw/zinc/32/68/66/432326866.db2.gz DHZXBCFFXUJPBH-MRXNPFEDSA-N 2 2 312.461 3.173 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C2)[nH]1 ZINC000271118010 432332155 /nfs/dbraw/zinc/33/21/55/432332155.db2.gz IMMPGZQHSQZWII-GXTWGEPZSA-N 2 2 318.446 3.097 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)[nH]1 ZINC000271118010 432332159 /nfs/dbraw/zinc/33/21/59/432332159.db2.gz IMMPGZQHSQZWII-GXTWGEPZSA-N 2 2 318.446 3.097 20 0 DGADLP Clc1ccc2ncc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2c1 ZINC000271121567 432332313 /nfs/dbraw/zinc/33/23/13/432332313.db2.gz KCQZWJDBAIFYON-LBPRGKRZSA-N 2 2 315.808 3.090 20 0 DGADLP Clc1ccc2ncc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2c1 ZINC000271121567 432332315 /nfs/dbraw/zinc/33/23/15/432332315.db2.gz KCQZWJDBAIFYON-LBPRGKRZSA-N 2 2 315.808 3.090 20 0 DGADLP Clc1ccc2ncc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2c1 ZINC000271184942 432346568 /nfs/dbraw/zinc/34/65/68/432346568.db2.gz IRUZTVZSMOHXPL-UHFFFAOYSA-N 2 2 315.808 3.090 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839678 432307664 /nfs/dbraw/zinc/30/76/64/432307664.db2.gz WGCXBCRWSSLGEH-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839678 432307665 /nfs/dbraw/zinc/30/76/65/432307665.db2.gz WGCXBCRWSSLGEH-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271339445 432377120 /nfs/dbraw/zinc/37/71/20/432377120.db2.gz GJZFUIASGWZMCE-FZKQIMNGSA-N 2 2 313.376 3.339 20 0 DGADLP Cc1cc[nH+]c(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1 ZINC000153023027 432377701 /nfs/dbraw/zinc/37/77/01/432377701.db2.gz MKYVVZXRVPRTDX-UHFFFAOYSA-N 2 2 322.334 3.130 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192560492 432387022 /nfs/dbraw/zinc/38/70/22/432387022.db2.gz GXFCUPARJILYQZ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192560492 432387026 /nfs/dbraw/zinc/38/70/26/432387026.db2.gz GXFCUPARJILYQZ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)C[NH+]1CCOCC1 ZINC000153244723 432394485 /nfs/dbraw/zinc/39/44/85/432394485.db2.gz GTNYNKIRHWMNSL-CHWSQXEVSA-N 2 2 314.832 3.098 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184510536 432400548 /nfs/dbraw/zinc/40/05/48/432400548.db2.gz KCIKREGONTWJQX-IAGOWNOFSA-N 2 2 302.466 3.126 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184510536 432400551 /nfs/dbraw/zinc/40/05/51/432400551.db2.gz KCIKREGONTWJQX-IAGOWNOFSA-N 2 2 302.466 3.126 20 0 DGADLP CC1CC[NH+](CCc2cccc(NCc3c[nH+]cn3C)c2)CC1 ZINC000271295059 432369647 /nfs/dbraw/zinc/36/96/47/432369647.db2.gz SPGIUPLCCRWOBU-UHFFFAOYSA-N 2 2 312.461 3.307 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261571724 432431602 /nfs/dbraw/zinc/43/16/02/432431602.db2.gz LELPBTHIWURJAT-UXIGCNINSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261571724 432431603 /nfs/dbraw/zinc/43/16/03/432431603.db2.gz LELPBTHIWURJAT-UXIGCNINSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261591658 432432756 /nfs/dbraw/zinc/43/27/56/432432756.db2.gz XYIPRQVKFJJYQK-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261591658 432432762 /nfs/dbraw/zinc/43/27/62/432432762.db2.gz XYIPRQVKFJJYQK-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261591657 432432903 /nfs/dbraw/zinc/43/29/03/432432903.db2.gz XYIPRQVKFJJYQK-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261591657 432432908 /nfs/dbraw/zinc/43/29/08/432432908.db2.gz XYIPRQVKFJJYQK-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261731663 432443722 /nfs/dbraw/zinc/44/37/22/432443722.db2.gz RFLRPRQLBOUMPE-WBMJQRKESA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261731663 432443725 /nfs/dbraw/zinc/44/37/25/432443725.db2.gz RFLRPRQLBOUMPE-WBMJQRKESA-N 2 2 301.821 3.072 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000153798981 432445716 /nfs/dbraw/zinc/44/57/16/432445716.db2.gz VRYYHGQRFANZNK-LJQANCHMSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000153798981 432445720 /nfs/dbraw/zinc/44/57/20/432445720.db2.gz VRYYHGQRFANZNK-LJQANCHMSA-N 2 2 301.478 3.334 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@H]1c1ccccc1 ZINC000261741046 432446365 /nfs/dbraw/zinc/44/63/65/432446365.db2.gz MPFDGQLRLKFXME-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H]1c1ccccc1 ZINC000261741046 432446369 /nfs/dbraw/zinc/44/63/69/432446369.db2.gz MPFDGQLRLKFXME-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@@H]12 ZINC000261760365 432447648 /nfs/dbraw/zinc/44/76/48/432447648.db2.gz UWFFIRILDSKXTO-ZWKOPEQDSA-N 2 2 316.779 3.111 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@@H]12 ZINC000261760365 432447652 /nfs/dbraw/zinc/44/76/52/432447652.db2.gz UWFFIRILDSKXTO-ZWKOPEQDSA-N 2 2 316.779 3.111 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)n2)cc1 ZINC000261763046 432449068 /nfs/dbraw/zinc/44/90/68/432449068.db2.gz RHDOFTUCPCHIBB-SFHVURJKSA-N 2 2 314.433 3.031 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)n2)cc1 ZINC000261763046 432449072 /nfs/dbraw/zinc/44/90/72/432449072.db2.gz RHDOFTUCPCHIBB-SFHVURJKSA-N 2 2 314.433 3.031 20 0 DGADLP c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261771799 432449330 /nfs/dbraw/zinc/44/93/30/432449330.db2.gz QWRVBUNBTSLOOQ-RCCFBDPRSA-N 2 2 314.477 3.405 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261847107 432455066 /nfs/dbraw/zinc/45/50/66/432455066.db2.gz WHTBKFIDDRLMJF-FZMZJTMJSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261847107 432455069 /nfs/dbraw/zinc/45/50/69/432455069.db2.gz WHTBKFIDDRLMJF-FZMZJTMJSA-N 2 2 315.244 3.056 20 0 DGADLP C[C@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876135 432456655 /nfs/dbraw/zinc/45/66/55/432456655.db2.gz XZMSYXMEQDPOFG-GDAAHCPNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261876135 432456657 /nfs/dbraw/zinc/45/66/57/432456657.db2.gz XZMSYXMEQDPOFG-GDAAHCPNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccs1 ZINC000272178159 432457901 /nfs/dbraw/zinc/45/79/01/432457901.db2.gz FGQJPTPLLXPQCE-HIFRSBDPSA-N 2 2 316.474 3.457 20 0 DGADLP CC/C=C/CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000184604725 432411419 /nfs/dbraw/zinc/41/14/19/432411419.db2.gz QOXXHLFGCMXLBY-SNAWJCMRSA-N 2 2 301.478 3.377 20 0 DGADLP CC/C=C/CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000184604725 432411423 /nfs/dbraw/zinc/41/14/23/432411423.db2.gz QOXXHLFGCMXLBY-SNAWJCMRSA-N 2 2 301.478 3.377 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@@H]1[NH3+] ZINC000262068654 432472041 /nfs/dbraw/zinc/47/20/41/432472041.db2.gz RUTHWZCBYBKECB-NHYWBVRUSA-N 2 2 306.356 3.220 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@@H]1[NH3+] ZINC000262068654 432472045 /nfs/dbraw/zinc/47/20/45/432472045.db2.gz RUTHWZCBYBKECB-NHYWBVRUSA-N 2 2 306.356 3.220 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154098254 432472137 /nfs/dbraw/zinc/47/21/37/432472137.db2.gz QKDYRTIACQYBLI-UHOSZYNNSA-N 2 2 304.478 3.038 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154098254 432472142 /nfs/dbraw/zinc/47/21/42/432472142.db2.gz QKDYRTIACQYBLI-UHOSZYNNSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(C)OC1CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000272291400 432476587 /nfs/dbraw/zinc/47/65/87/432476587.db2.gz OFJJXZFCUPDYKM-UHFFFAOYSA-N 2 2 313.445 3.367 20 0 DGADLP C[C@@H](CC1CC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272330513 432482737 /nfs/dbraw/zinc/48/27/37/432482737.db2.gz XUWFRIQKCWZHDC-AWEZNQCLSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C2CCCCC2)no1 ZINC000185245891 432482787 /nfs/dbraw/zinc/48/27/87/432482787.db2.gz KVHDBHFNBUBQQQ-ZDUSSCGKSA-N 2 2 303.410 3.055 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2F)s1 ZINC000154285140 432488378 /nfs/dbraw/zinc/48/83/78/432488378.db2.gz GRFBMYAWDYOTHK-CHWSQXEVSA-N 2 2 322.449 3.127 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261954909 432463515 /nfs/dbraw/zinc/46/35/15/432463515.db2.gz GOQSHHAFLSQDCO-OAHLLOKOSA-N 2 2 316.779 3.127 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261954909 432463520 /nfs/dbraw/zinc/46/35/20/432463520.db2.gz GOQSHHAFLSQDCO-OAHLLOKOSA-N 2 2 316.779 3.127 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@H]12 ZINC000261949733 432464316 /nfs/dbraw/zinc/46/43/16/432464316.db2.gz NTHISFWLPUBUFY-PTOFAABTSA-N 2 2 303.208 3.302 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@H]12 ZINC000261949733 432464320 /nfs/dbraw/zinc/46/43/20/432464320.db2.gz NTHISFWLPUBUFY-PTOFAABTSA-N 2 2 303.208 3.302 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000261968971 432465569 /nfs/dbraw/zinc/46/55/69/432465569.db2.gz YRWZSFZQXTZINH-WOJBJXKFSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000261968971 432465574 /nfs/dbraw/zinc/46/55/74/432465574.db2.gz YRWZSFZQXTZINH-WOJBJXKFSA-N 2 2 310.441 3.292 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000154035990 432466705 /nfs/dbraw/zinc/46/67/05/432466705.db2.gz NRJKSCUVBJQHNK-NUJGCVRESA-N 2 2 317.477 3.021 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000154035990 432466709 /nfs/dbraw/zinc/46/67/09/432466709.db2.gz NRJKSCUVBJQHNK-NUJGCVRESA-N 2 2 317.477 3.021 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000262018882 432469390 /nfs/dbraw/zinc/46/93/90/432469390.db2.gz VYAPYBVACIPWFE-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000262018882 432469391 /nfs/dbraw/zinc/46/93/91/432469391.db2.gz VYAPYBVACIPWFE-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000176756637 432549695 /nfs/dbraw/zinc/54/96/95/432549695.db2.gz SPWJELFEBQQQMY-HNNXBMFYSA-N 3 2 323.444 3.112 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1nc[nH+]c(N)c1Cl ZINC000273156260 432558250 /nfs/dbraw/zinc/55/82/50/432558250.db2.gz YGPTUVYRSJFUNX-UHFFFAOYSA-N 2 2 319.840 3.165 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1nc[nH+]c(N)c1Cl ZINC000273156260 432558251 /nfs/dbraw/zinc/55/82/51/432558251.db2.gz YGPTUVYRSJFUNX-UHFFFAOYSA-N 2 2 319.840 3.165 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1[nH+]cnc(N)c1Cl ZINC000273156260 432558254 /nfs/dbraw/zinc/55/82/54/432558254.db2.gz YGPTUVYRSJFUNX-UHFFFAOYSA-N 2 2 319.840 3.165 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1[nH+]cnc(N)c1Cl ZINC000273156260 432558256 /nfs/dbraw/zinc/55/82/56/432558256.db2.gz YGPTUVYRSJFUNX-UHFFFAOYSA-N 2 2 319.840 3.165 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193994996 432515297 /nfs/dbraw/zinc/51/52/97/432515297.db2.gz JNXRKABYFOIKAI-AVVWSFFYSA-N 2 2 323.278 3.379 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193994996 432515302 /nfs/dbraw/zinc/51/53/02/432515302.db2.gz JNXRKABYFOIKAI-AVVWSFFYSA-N 2 2 323.278 3.379 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCC(C)CC1 ZINC000194008719 432517326 /nfs/dbraw/zinc/51/73/26/432517326.db2.gz HSWZMNRWPCTEJS-BRSBDYLESA-N 2 2 306.494 3.044 20 0 DGADLP CC(C)OC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000185854475 432539845 /nfs/dbraw/zinc/53/98/45/432539845.db2.gz UIWSKJSLFMRQFF-UHFFFAOYSA-N 2 2 303.381 3.057 20 0 DGADLP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(OC)c1 ZINC000155206383 432543555 /nfs/dbraw/zinc/54/35/55/432543555.db2.gz CGNYMWWRZOLANW-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(OC)c1 ZINC000155206383 432543558 /nfs/dbraw/zinc/54/35/58/432543558.db2.gz CGNYMWWRZOLANW-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(OC)c1 ZINC000155206383 432543563 /nfs/dbraw/zinc/54/35/63/432543563.db2.gz CGNYMWWRZOLANW-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000155206383 432543566 /nfs/dbraw/zinc/54/35/66/432543566.db2.gz CGNYMWWRZOLANW-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155655963 432565642 /nfs/dbraw/zinc/56/56/42/432565642.db2.gz PGJAALGVNHIQSG-CQSZACIVSA-N 2 2 324.197 3.062 20 0 DGADLP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000155692315 432568291 /nfs/dbraw/zinc/56/82/91/432568291.db2.gz JGZWBAMUVFOELH-MOPGFXCFSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000155692315 432568294 /nfs/dbraw/zinc/56/82/94/432568294.db2.gz JGZWBAMUVFOELH-MOPGFXCFSA-N 2 2 316.489 3.228 20 0 DGADLP Cc1ccc([C@@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCC2)o1 ZINC000263782691 432576367 /nfs/dbraw/zinc/57/63/67/432576367.db2.gz LWGLBTVEWQFAAT-CQSZACIVSA-N 2 2 311.389 3.108 20 0 DGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccc(O)c1 ZINC000194848668 432581507 /nfs/dbraw/zinc/58/15/07/432581507.db2.gz PMVQOFLWUNGJIK-HNNXBMFYSA-N 2 2 320.502 3.404 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155966569 432583475 /nfs/dbraw/zinc/58/34/75/432583475.db2.gz USQLCOARJHFGQG-MSOLQXFVSA-N 2 2 315.505 3.365 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155966569 432583478 /nfs/dbraw/zinc/58/34/78/432583478.db2.gz USQLCOARJHFGQG-MSOLQXFVSA-N 2 2 315.505 3.365 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000194896784 432585079 /nfs/dbraw/zinc/58/50/79/432585079.db2.gz QJKWXGAFSSQHOE-LSDHHAIUSA-N 2 2 308.491 3.027 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000186349678 432585192 /nfs/dbraw/zinc/58/51/92/432585192.db2.gz MZYYTAJFNIEWAC-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000186349678 432585195 /nfs/dbraw/zinc/58/51/95/432585195.db2.gz MZYYTAJFNIEWAC-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396936 432590714 /nfs/dbraw/zinc/59/07/14/432590714.db2.gz UMQONUUTYKARMM-CZUORRHYSA-N 2 2 316.445 3.047 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396936 432590717 /nfs/dbraw/zinc/59/07/17/432590717.db2.gz UMQONUUTYKARMM-CZUORRHYSA-N 2 2 316.445 3.047 20 0 DGADLP c1cc2c(nc[nH+]c2NCc2cc[nH+]c(N3CCCCCC3)c2)[nH]1 ZINC000264357615 432638172 /nfs/dbraw/zinc/63/81/72/432638172.db2.gz AHTSHILXIGLGDF-UHFFFAOYSA-N 2 2 322.416 3.345 20 0 DGADLP Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000274319078 432651353 /nfs/dbraw/zinc/65/13/53/432651353.db2.gz CKCKWNXMZZTUTP-GOSISDBHSA-N 2 2 315.392 3.015 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccoc1 ZINC000177752597 432656902 /nfs/dbraw/zinc/65/69/02/432656902.db2.gz VTCYYIZAVQRNMY-QGZVFWFLSA-N 2 2 313.445 3.143 20 0 DGADLP CCn1nc(C[NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000274393982 432662589 /nfs/dbraw/zinc/66/25/89/432662589.db2.gz DDKQPWWHEOGVNH-UHFFFAOYSA-N 2 2 300.450 3.019 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274814583 432712323 /nfs/dbraw/zinc/71/23/23/432712323.db2.gz WCEJWIINIXEPTP-QFBILLFUSA-N 2 2 304.478 3.302 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000274814583 432712326 /nfs/dbraw/zinc/71/23/26/432712326.db2.gz WCEJWIINIXEPTP-QFBILLFUSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912976 432717136 /nfs/dbraw/zinc/71/71/36/432717136.db2.gz PXVHSBXMGQUACD-SFYZADRCSA-N 2 2 323.687 3.333 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227912976 432717137 /nfs/dbraw/zinc/71/71/37/432717137.db2.gz PXVHSBXMGQUACD-SFYZADRCSA-N 2 2 323.687 3.333 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1OCC ZINC000178008169 432683981 /nfs/dbraw/zinc/68/39/81/432683981.db2.gz ZXHUBDXFKUWWNK-HNNXBMFYSA-N 2 2 306.450 3.230 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000236642010 432752550 /nfs/dbraw/zinc/75/25/50/432752550.db2.gz GCJWOFGBHJUFSP-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP CC(C)CCn1cccc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236635777 432752928 /nfs/dbraw/zinc/75/29/28/432752928.db2.gz MFSAVMVYOVJXNV-HDICACEKSA-N 2 2 321.509 3.123 20 0 DGADLP CC(C)CCn1cccc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000236635777 432752931 /nfs/dbraw/zinc/75/29/31/432752931.db2.gz MFSAVMVYOVJXNV-HDICACEKSA-N 2 2 321.509 3.123 20 0 DGADLP CC(C)CCOCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236746017 432762441 /nfs/dbraw/zinc/76/24/41/432762441.db2.gz CRPBJDRWKLPEQK-LJQANCHMSA-N 2 2 304.478 3.303 20 0 DGADLP CC(C)CCOCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236746017 432762444 /nfs/dbraw/zinc/76/24/44/432762444.db2.gz CRPBJDRWKLPEQK-LJQANCHMSA-N 2 2 304.478 3.303 20 0 DGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178703186 432768556 /nfs/dbraw/zinc/76/85/56/432768556.db2.gz VSBHBHSGPDKPOS-HZPDHXFCSA-N 3 2 323.444 3.364 20 0 DGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000236913858 432770570 /nfs/dbraw/zinc/77/05/70/432770570.db2.gz OUKJRSYHDPBVDH-XHDPSFHLSA-N 2 2 316.449 3.183 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000178785446 432775946 /nfs/dbraw/zinc/77/59/46/432775946.db2.gz XZSHPSNQQZDDBS-LLVKDONJSA-N 2 2 315.314 3.467 20 0 DGADLP CCOC(CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OCC ZINC000276191337 432780827 /nfs/dbraw/zinc/78/08/27/432780827.db2.gz HXNGCOBIPCBAPI-FUHWJXTLSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OCC ZINC000276191337 432780830 /nfs/dbraw/zinc/78/08/30/432780830.db2.gz HXNGCOBIPCBAPI-FUHWJXTLSA-N 2 2 320.477 3.028 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000178383616 432728445 /nfs/dbraw/zinc/72/84/45/432728445.db2.gz FIEIIQLIOXLSDG-SUNYJGFJSA-N 2 2 316.445 3.124 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000178383616 432728448 /nfs/dbraw/zinc/72/84/48/432728448.db2.gz FIEIIQLIOXLSDG-SUNYJGFJSA-N 2 2 316.445 3.124 20 0 DGADLP Cc1ccc2cc(C[NH2+]C[C@@]3([NH+](C)C)CCSC3)ccc2n1 ZINC000275628798 432735966 /nfs/dbraw/zinc/73/59/66/432735966.db2.gz PWRCNIDTUHHLHG-SFHVURJKSA-N 2 2 315.486 3.070 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000276598865 432822229 /nfs/dbraw/zinc/82/22/29/432822229.db2.gz FAMSBHMGGHJHFM-OAHLLOKOSA-N 2 2 301.434 3.464 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000245453933 432832950 /nfs/dbraw/zinc/83/29/50/432832950.db2.gz GJWRPWJSOLQKJK-NVXWUHKLSA-N 2 2 322.518 3.416 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000245453933 432832952 /nfs/dbraw/zinc/83/29/52/432832952.db2.gz GJWRPWJSOLQKJK-NVXWUHKLSA-N 2 2 322.518 3.416 20 0 DGADLP COc1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237264678 432783422 /nfs/dbraw/zinc/78/34/22/432783422.db2.gz RGNQVTGTQKJWPW-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP COc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237264678 432783424 /nfs/dbraw/zinc/78/34/24/432783424.db2.gz RGNQVTGTQKJWPW-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP CSCc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000189486904 432790687 /nfs/dbraw/zinc/79/06/87/432790687.db2.gz CAGPPVPSFCHVTF-UHFFFAOYSA-N 2 2 301.459 3.300 20 0 DGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000178998895 432794932 /nfs/dbraw/zinc/79/49/32/432794932.db2.gz PRWXBRGJDHHFGY-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP FC(F)n1ccnc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000237677008 432797462 /nfs/dbraw/zinc/79/74/62/432797462.db2.gz AEFASVKTZXZIAX-UHFFFAOYSA-N 2 2 312.408 3.165 20 0 DGADLP CCOc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266917071 432798036 /nfs/dbraw/zinc/79/80/36/432798036.db2.gz KWRUBHIZDVUJHH-HNNXBMFYSA-N 2 2 315.417 3.067 20 0 DGADLP CCOc1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266917071 432798041 /nfs/dbraw/zinc/79/80/41/432798041.db2.gz KWRUBHIZDVUJHH-HNNXBMFYSA-N 2 2 315.417 3.067 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000245747126 432860305 /nfs/dbraw/zinc/86/03/05/432860305.db2.gz NBSVGDRLFDBZBU-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000245747126 432860306 /nfs/dbraw/zinc/86/03/06/432860306.db2.gz NBSVGDRLFDBZBU-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP COc1ccc(C[N@@H+]2CCCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000268316413 432863036 /nfs/dbraw/zinc/86/30/36/432863036.db2.gz LRGAYWNUXASKAB-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP COc1ccc(C[N@H+]2CCCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000268316413 432863038 /nfs/dbraw/zinc/86/30/38/432863038.db2.gz LRGAYWNUXASKAB-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP C[C@H]1C[N@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)CCCO1 ZINC000277899989 432877868 /nfs/dbraw/zinc/87/78/68/432877868.db2.gz FUZUVRVDCHGFIG-LBPRGKRZSA-N 2 2 317.355 3.013 20 0 DGADLP C[C@H]1C[N@@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)CCCO1 ZINC000277899989 432877870 /nfs/dbraw/zinc/87/78/70/432877870.db2.gz FUZUVRVDCHGFIG-LBPRGKRZSA-N 2 2 317.355 3.013 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000163000079 432839659 /nfs/dbraw/zinc/83/96/59/432839659.db2.gz LBGBWNOEHGEEBM-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Fc1ccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000268056000 432840979 /nfs/dbraw/zinc/84/09/79/432840979.db2.gz YAFLVCFHKVYPFU-KRWDZBQOSA-N 2 2 322.387 3.396 20 0 DGADLP Fc1ccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000268056000 432840981 /nfs/dbraw/zinc/84/09/81/432840981.db2.gz YAFLVCFHKVYPFU-KRWDZBQOSA-N 2 2 322.387 3.396 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000245550324 432842944 /nfs/dbraw/zinc/84/29/44/432842944.db2.gz HNHITMCAKAJFAE-WJFTUGDTSA-N 2 2 314.473 3.227 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163149634 432845174 /nfs/dbraw/zinc/84/51/74/432845174.db2.gz BAMOOWZEABNJEK-BEFAXECRSA-N 2 2 313.445 3.464 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000163289949 432849715 /nfs/dbraw/zinc/84/97/15/432849715.db2.gz GXDLVYSTPRTSFT-DOMZBBRYSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000163289949 432849718 /nfs/dbraw/zinc/84/97/18/432849718.db2.gz GXDLVYSTPRTSFT-DOMZBBRYSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000163432071 432852669 /nfs/dbraw/zinc/85/26/69/432852669.db2.gz LXFVNTQNKWUYGP-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000163432071 432852671 /nfs/dbraw/zinc/85/26/71/432852671.db2.gz LXFVNTQNKWUYGP-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cccn2c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000245730453 432859471 /nfs/dbraw/zinc/85/94/71/432859471.db2.gz FDSLARIPUSMABM-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000245730453 432859473 /nfs/dbraw/zinc/85/94/73/432859473.db2.gz FDSLARIPUSMABM-LPHOPBHVSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000278992022 432924221 /nfs/dbraw/zinc/92/42/21/432924221.db2.gz QFWRDIQWWWXRCT-WHOFXGATSA-N 2 2 320.462 3.064 20 0 DGADLP COc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1OC ZINC000289212872 432934423 /nfs/dbraw/zinc/93/44/23/432934423.db2.gz IRLLNINEWVHWHW-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP CCCNC(=O)C1([NH2+]CCCc2c[nH+]ccc2C)CCCCC1 ZINC000279131159 432937329 /nfs/dbraw/zinc/93/73/29/432937329.db2.gz YHQVQKYBODDQJM-UHFFFAOYSA-N 2 2 317.477 3.141 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000289285537 432941682 /nfs/dbraw/zinc/94/16/82/432941682.db2.gz PAZYBYMDWGMOAQ-OAHLLOKOSA-N 2 2 323.440 3.192 20 0 DGADLP COc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)cc1OC ZINC000289304660 432943078 /nfs/dbraw/zinc/94/30/78/432943078.db2.gz RHOJFLYEJDDFDW-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000296460743 432910813 /nfs/dbraw/zinc/91/08/13/432910813.db2.gz OSUHONYFZSAFEQ-MDZRGWNJSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000289360073 432950020 /nfs/dbraw/zinc/95/00/20/432950020.db2.gz YPNMEOJGSUSFMK-QGZVFWFLSA-N 3 2 303.494 3.424 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000289360073 432950021 /nfs/dbraw/zinc/95/00/21/432950021.db2.gz YPNMEOJGSUSFMK-QGZVFWFLSA-N 3 2 303.494 3.424 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000349505988 432968192 /nfs/dbraw/zinc/96/81/92/432968192.db2.gz ULINPIUEDXVYKZ-LJQANCHMSA-N 2 2 324.472 3.419 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137984 432972821 /nfs/dbraw/zinc/97/28/21/432972821.db2.gz AQSJSXQIBROYDT-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137984 432972825 /nfs/dbraw/zinc/97/28/25/432972825.db2.gz AQSJSXQIBROYDT-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137984 432972828 /nfs/dbraw/zinc/97/28/28/432972828.db2.gz AQSJSXQIBROYDT-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)CC[C@@H]21 ZINC000341137984 432972831 /nfs/dbraw/zinc/97/28/31/432972831.db2.gz AQSJSXQIBROYDT-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000341150379 432977194 /nfs/dbraw/zinc/97/71/94/432977194.db2.gz UNNFLXRABLPDCS-OAHLLOKOSA-N 2 2 314.477 3.243 20 0 DGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[N@H+]3CCC[C@@H](C)C3)cn2c1 ZINC000341150379 432977197 /nfs/dbraw/zinc/97/71/97/432977197.db2.gz UNNFLXRABLPDCS-OAHLLOKOSA-N 2 2 314.477 3.243 20 0 DGADLP C[N@H+](CC1CCC(=O)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290083696 432990110 /nfs/dbraw/zinc/99/01/10/432990110.db2.gz QTUPZNNYJKRDLT-UHFFFAOYSA-N 2 2 314.473 3.342 20 0 DGADLP C[N@@H+](CC1CCC(=O)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290083696 432990115 /nfs/dbraw/zinc/99/01/15/432990115.db2.gz QTUPZNNYJKRDLT-UHFFFAOYSA-N 2 2 314.473 3.342 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686630 432991956 /nfs/dbraw/zinc/99/19/56/432991956.db2.gz WPJDRDZMEPXZMC-ZOBUZTSGSA-N 2 2 304.482 3.114 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686630 432991958 /nfs/dbraw/zinc/99/19/58/432991958.db2.gz WPJDRDZMEPXZMC-ZOBUZTSGSA-N 2 2 304.482 3.114 20 0 DGADLP C[C@H](CC[NH2+][C@H](c1ccccc1)c1cncnc1)[NH+]1CCCCC1 ZINC000349722433 432997318 /nfs/dbraw/zinc/99/73/18/432997318.db2.gz PBOWFKGXBIIMOW-YLJYHZDGSA-N 2 2 324.472 3.420 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C2CC2)nc2sccn12 ZINC000349424143 432958744 /nfs/dbraw/zinc/95/87/44/432958744.db2.gz ZIZZIAPMZQEVKG-UHFFFAOYSA-N 2 2 320.506 3.437 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C2CC2)nc2sccn12 ZINC000349424143 432958750 /nfs/dbraw/zinc/95/87/50/432958750.db2.gz ZIZZIAPMZQEVKG-UHFFFAOYSA-N 2 2 320.506 3.437 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C2CCC2)o1 ZINC000349447167 432962896 /nfs/dbraw/zinc/96/28/96/432962896.db2.gz CBVCIHZWPOLADF-MJGOQNOKSA-N 2 2 320.477 3.112 20 0 DGADLP Cc1nc2ccccc2n1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000280125611 433003439 /nfs/dbraw/zinc/00/34/39/433003439.db2.gz AFXNFYZSDSJMDZ-UHFFFAOYSA-N 2 2 323.444 3.268 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280161171 433008811 /nfs/dbraw/zinc/00/88/11/433008811.db2.gz QQWJDEYQSUDWNG-KBXCAEBGSA-N 2 2 321.428 3.334 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000349801153 433011475 /nfs/dbraw/zinc/01/14/75/433011475.db2.gz PGDALEPAYJCOKB-MRXNPFEDSA-N 2 2 323.506 3.299 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000349801153 433011479 /nfs/dbraw/zinc/01/14/79/433011479.db2.gz PGDALEPAYJCOKB-MRXNPFEDSA-N 2 2 323.506 3.299 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000349815729 433013207 /nfs/dbraw/zinc/01/32/07/433013207.db2.gz FQAHGTBTTORDAB-UHFFFAOYSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000349815729 433013210 /nfs/dbraw/zinc/01/32/10/433013210.db2.gz FQAHGTBTTORDAB-UHFFFAOYSA-N 2 2 306.498 3.215 20 0 DGADLP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000341304411 433021295 /nfs/dbraw/zinc/02/12/95/433021295.db2.gz PNIAOAQEGPBTCN-ZIAGYGMSSA-N 2 2 310.869 3.053 20 0 DGADLP Cc1cc(C[NH+](C)C)cc(N[C@@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000280286111 433028773 /nfs/dbraw/zinc/02/87/73/433028773.db2.gz YXUMFMZXQXDHBO-GOSISDBHSA-N 2 2 321.428 3.376 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000333124444 433034843 /nfs/dbraw/zinc/03/48/43/433034843.db2.gz ISPJLHUZTQNEQV-NVXWUHKLSA-N 2 2 316.449 3.084 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000333124448 433035237 /nfs/dbraw/zinc/03/52/37/433035237.db2.gz ISPJLHUZTQNEQV-WBVHZDCISA-N 2 2 316.449 3.084 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC(F)F)cc1 ZINC000290399451 433046406 /nfs/dbraw/zinc/04/64/06/433046406.db2.gz JGSRRDWSUKXROT-UHFFFAOYSA-N 2 2 309.360 3.049 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC(F)F)cc1 ZINC000290399451 433046410 /nfs/dbraw/zinc/04/64/10/433046410.db2.gz JGSRRDWSUKXROT-UHFFFAOYSA-N 2 2 309.360 3.049 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000290467834 433059593 /nfs/dbraw/zinc/05/95/93/433059593.db2.gz WWKNHGDUYYRDIX-KRWDZBQOSA-N 2 2 310.869 3.492 20 0 DGADLP Fc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000341443370 433059821 /nfs/dbraw/zinc/05/98/21/433059821.db2.gz UTDBACKOIJDYAR-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CC[C@@H]1C[C@@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C)c1 ZINC000419733908 433068348 /nfs/dbraw/zinc/06/83/48/433068348.db2.gz UOGCJCLOVGZUAH-BEFAXECRSA-N 2 2 312.461 3.210 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297681 433070811 /nfs/dbraw/zinc/07/08/11/433070811.db2.gz VHFIXUUBTUDYFG-RDTXWAMCSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000453297681 433070821 /nfs/dbraw/zinc/07/08/21/433070821.db2.gz VHFIXUUBTUDYFG-RDTXWAMCSA-N 2 2 322.880 3.154 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361286487 433082105 /nfs/dbraw/zinc/08/21/05/433082105.db2.gz DEADFEDFFSCFSH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361286487 433082111 /nfs/dbraw/zinc/08/21/11/433082111.db2.gz DEADFEDFFSCFSH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361286487 433082120 /nfs/dbraw/zinc/08/21/20/433082120.db2.gz DEADFEDFFSCFSH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361286487 433082134 /nfs/dbraw/zinc/08/21/34/433082134.db2.gz DEADFEDFFSCFSH-XJKSGUPXSA-N 2 2 308.853 3.265 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000341503544 433097093 /nfs/dbraw/zinc/09/70/93/433097093.db2.gz GWRCVELAPRABKA-ZDUSSCGKSA-N 2 2 316.367 3.374 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000290655732 433128875 /nfs/dbraw/zinc/12/88/75/433128875.db2.gz KJSCEGDYVLHNHR-YZGWKJHDSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000290655732 433128889 /nfs/dbraw/zinc/12/88/89/433128889.db2.gz KJSCEGDYVLHNHR-YZGWKJHDSA-N 2 2 324.472 3.108 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425236783 433129431 /nfs/dbraw/zinc/12/94/31/433129431.db2.gz KHZJJEXOXZDYKB-CQSZACIVSA-N 2 2 321.428 3.017 20 0 DGADLP COc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290658113 433131958 /nfs/dbraw/zinc/13/19/58/433131958.db2.gz ZLYGQPCFIPTBHW-UHFFFAOYSA-N 2 2 314.429 3.385 20 0 DGADLP COc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290658113 433131969 /nfs/dbraw/zinc/13/19/69/433131969.db2.gz ZLYGQPCFIPTBHW-UHFFFAOYSA-N 2 2 314.429 3.385 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000361377763 433140554 /nfs/dbraw/zinc/14/05/54/433140554.db2.gz PHLXADXZSKYIKX-WBVHZDCISA-N 2 2 315.461 3.075 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000361377763 433140563 /nfs/dbraw/zinc/14/05/63/433140563.db2.gz PHLXADXZSKYIKX-WBVHZDCISA-N 2 2 315.461 3.075 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000361382998 433143531 /nfs/dbraw/zinc/14/35/31/433143531.db2.gz YVKQXYKAEPETOV-DOTOQJQBSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000361382998 433143543 /nfs/dbraw/zinc/14/35/43/433143543.db2.gz YVKQXYKAEPETOV-DOTOQJQBSA-N 2 2 315.461 3.218 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H]3CN(c4[nH]c5ccccc5[nH+]4)C[C@@H]32)cc1 ZINC000425281234 433146521 /nfs/dbraw/zinc/14/65/21/433146521.db2.gz ZLDJZNBPKMBYOH-APWZRJJASA-N 2 2 318.424 3.274 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H]3CN(c4[nH]c5ccccc5[nH+]4)C[C@@H]32)cc1 ZINC000425281234 433146528 /nfs/dbraw/zinc/14/65/28/433146528.db2.gz ZLDJZNBPKMBYOH-APWZRJJASA-N 2 2 318.424 3.274 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000453393856 433149807 /nfs/dbraw/zinc/14/98/07/433149807.db2.gz GNXMQFKQQFYWKV-HKUYNNGSSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000453393856 433149816 /nfs/dbraw/zinc/14/98/16/433149816.db2.gz GNXMQFKQQFYWKV-HKUYNNGSSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393856 433149825 /nfs/dbraw/zinc/14/98/25/433149825.db2.gz GNXMQFKQQFYWKV-HKUYNNGSSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393856 433149831 /nfs/dbraw/zinc/14/98/31/433149831.db2.gz GNXMQFKQQFYWKV-HKUYNNGSSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295074 433151171 /nfs/dbraw/zinc/15/11/71/433151171.db2.gz URTYYOZCHMDDEH-UONOGXRCSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295074 433151176 /nfs/dbraw/zinc/15/11/76/433151176.db2.gz URTYYOZCHMDDEH-UONOGXRCSA-N 2 2 318.852 3.085 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453395664 433153510 /nfs/dbraw/zinc/15/35/10/433153510.db2.gz HCIJOGVKSXSRTG-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453395664 433153516 /nfs/dbraw/zinc/15/35/16/433153516.db2.gz HCIJOGVKSXSRTG-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453342648 433103330 /nfs/dbraw/zinc/10/33/30/433103330.db2.gz IRIFLOLBOBPAQF-NEPXVJNWSA-N 2 2 301.478 3.174 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453342648 433103340 /nfs/dbraw/zinc/10/33/40/433103340.db2.gz IRIFLOLBOBPAQF-NEPXVJNWSA-N 2 2 301.478 3.174 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc2c(s1)CCCC2 ZINC000453341963 433103497 /nfs/dbraw/zinc/10/34/97/433103497.db2.gz HVDXAVZUGILWFE-RLAWYHOSSA-N 2 2 305.491 3.298 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc2c(s1)CCCC2 ZINC000453341963 433103506 /nfs/dbraw/zinc/10/35/06/433103506.db2.gz HVDXAVZUGILWFE-RLAWYHOSSA-N 2 2 305.491 3.298 20 0 DGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(-c2cnn(C)c2)c1 ZINC000290602928 433114859 /nfs/dbraw/zinc/11/48/59/433114859.db2.gz VZQZBABZVSITBJ-UHFFFAOYSA-N 2 2 323.444 3.114 20 0 DGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(-c2cnn(C)c2)c1 ZINC000290602928 433114868 /nfs/dbraw/zinc/11/48/68/433114868.db2.gz VZQZBABZVSITBJ-UHFFFAOYSA-N 2 2 323.444 3.114 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000453559040 433206875 /nfs/dbraw/zinc/20/68/75/433206875.db2.gz DSTNIBPAOOMJGR-NSHDSACASA-N 2 2 317.296 3.203 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000453559040 433206885 /nfs/dbraw/zinc/20/68/85/433206885.db2.gz DSTNIBPAOOMJGR-NSHDSACASA-N 2 2 317.296 3.203 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)n1C ZINC000425369164 433206954 /nfs/dbraw/zinc/20/69/54/433206954.db2.gz LKZONROKMZHDLV-QGZVFWFLSA-N 2 2 310.445 3.213 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)n1C ZINC000425369164 433206960 /nfs/dbraw/zinc/20/69/60/433206960.db2.gz LKZONROKMZHDLV-QGZVFWFLSA-N 2 2 310.445 3.213 20 0 DGADLP C[NH2+]CCC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000420299746 433157022 /nfs/dbraw/zinc/15/70/22/433157022.db2.gz BQIYIYXXKSAQBD-UHFFFAOYSA-N 2 2 302.249 3.210 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453401074 433158591 /nfs/dbraw/zinc/15/85/91/433158591.db2.gz DKQYMMYJRONIBZ-SJLPKXTDSA-N 2 2 319.493 3.087 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453401074 433158603 /nfs/dbraw/zinc/15/86/03/433158603.db2.gz DKQYMMYJRONIBZ-SJLPKXTDSA-N 2 2 319.493 3.087 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1nc(C2CCCC2)no1)CC1CCCC1 ZINC000420311238 433158943 /nfs/dbraw/zinc/15/89/43/433158943.db2.gz HFUOUUSRAGHVHC-UHFFFAOYSA-N 2 2 306.454 3.068 20 0 DGADLP [NH3+]CCC[N@H+](Cc1nc(C2CCCC2)no1)CC1CCCC1 ZINC000420311238 433158952 /nfs/dbraw/zinc/15/89/52/433158952.db2.gz HFUOUUSRAGHVHC-UHFFFAOYSA-N 2 2 306.454 3.068 20 0 DGADLP Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425324258 433161247 /nfs/dbraw/zinc/16/12/47/433161247.db2.gz KDRZISQJOIFRFA-KRWDZBQOSA-N 2 2 312.461 3.002 20 0 DGADLP Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425324258 433161254 /nfs/dbraw/zinc/16/12/54/433161254.db2.gz KDRZISQJOIFRFA-KRWDZBQOSA-N 2 2 312.461 3.002 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000425319258 433161754 /nfs/dbraw/zinc/16/17/54/433161754.db2.gz AMIKFWCMXJSCRI-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1cncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000425319258 433161763 /nfs/dbraw/zinc/16/17/63/433161763.db2.gz AMIKFWCMXJSCRI-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1cncc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000425319258 433161770 /nfs/dbraw/zinc/16/17/70/433161770.db2.gz AMIKFWCMXJSCRI-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000425319256 433163060 /nfs/dbraw/zinc/16/30/60/433163060.db2.gz AMIKFWCMXJSCRI-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1cncc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000425319256 433163065 /nfs/dbraw/zinc/16/30/65/433163065.db2.gz AMIKFWCMXJSCRI-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1cncc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000425319256 433163069 /nfs/dbraw/zinc/16/30/69/433163069.db2.gz AMIKFWCMXJSCRI-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@@H+]1C1CC1 ZINC000453412419 433166096 /nfs/dbraw/zinc/16/60/96/433166096.db2.gz HTFSOKHTOGCQCZ-KNCOVGOOSA-N 2 2 306.475 3.183 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@H+]1C1CC1 ZINC000453412419 433166107 /nfs/dbraw/zinc/16/61/07/433166107.db2.gz HTFSOKHTOGCQCZ-KNCOVGOOSA-N 2 2 306.475 3.183 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000425326411 433167054 /nfs/dbraw/zinc/16/70/54/433167054.db2.gz NLMCXNJVIQVSBT-UHFFFAOYSA-N 2 2 321.428 3.208 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000425326411 433167065 /nfs/dbraw/zinc/16/70/65/433167065.db2.gz NLMCXNJVIQVSBT-UHFFFAOYSA-N 2 2 321.428 3.208 20 0 DGADLP CCC(C)(C)OCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453414123 433167499 /nfs/dbraw/zinc/16/74/99/433167499.db2.gz SOSOPQVHMUQIEG-UHFFFAOYSA-N 2 2 310.404 3.198 20 0 DGADLP Cc1nc(C[N@@H+](C)C2CC([NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420340813 433169744 /nfs/dbraw/zinc/16/97/44/433169744.db2.gz UNJXHAKCFHMGTC-UHFFFAOYSA-N 2 2 305.809 3.225 20 0 DGADLP Cc1nc(C[N@H+](C)C2CC([NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420340813 433169752 /nfs/dbraw/zinc/16/97/52/433169752.db2.gz UNJXHAKCFHMGTC-UHFFFAOYSA-N 2 2 305.809 3.225 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1C ZINC000425331791 433169871 /nfs/dbraw/zinc/16/98/71/433169871.db2.gz YHSPGCGVLVTDRR-QGZVFWFLSA-N 2 2 312.461 3.256 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420341913 433170221 /nfs/dbraw/zinc/17/02/21/433170221.db2.gz OVFKJCFUHIQWCN-PKOBYXMFSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420341913 433170229 /nfs/dbraw/zinc/17/02/29/433170229.db2.gz OVFKJCFUHIQWCN-PKOBYXMFSA-N 2 2 310.441 3.293 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335611 433171346 /nfs/dbraw/zinc/17/13/46/433171346.db2.gz IYBLQNLYWJOKPZ-DYVFJYSZSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335611 433171351 /nfs/dbraw/zinc/17/13/51/433171351.db2.gz IYBLQNLYWJOKPZ-DYVFJYSZSA-N 2 2 316.424 3.208 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000425336381 433171659 /nfs/dbraw/zinc/17/16/59/433171659.db2.gz KTIJPPUWYIXZKY-HNNXBMFYSA-N 2 2 318.490 3.404 20 0 DGADLP C[NH2+]CC[N@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000420340363 433171864 /nfs/dbraw/zinc/17/18/64/433171864.db2.gz ROGZLTHZTCKHCK-UHFFFAOYSA-N 2 2 304.356 3.016 20 0 DGADLP C[NH2+]CC[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000420340363 433171869 /nfs/dbraw/zinc/17/18/69/433171869.db2.gz ROGZLTHZTCKHCK-UHFFFAOYSA-N 2 2 304.356 3.016 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000420338009 433172698 /nfs/dbraw/zinc/17/26/98/433172698.db2.gz NIHUHKZKFGHPIH-AUUYWEPGSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000420338009 433172705 /nfs/dbraw/zinc/17/27/05/433172705.db2.gz NIHUHKZKFGHPIH-AUUYWEPGSA-N 2 2 312.461 3.048 20 0 DGADLP Clc1nccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1Cl ZINC000290812762 433173524 /nfs/dbraw/zinc/17/35/24/433173524.db2.gz GHUAOILPMNQNJM-UHFFFAOYSA-N 2 2 314.260 3.495 20 0 DGADLP Cc1sc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)c1C ZINC000420361094 433175954 /nfs/dbraw/zinc/17/59/54/433175954.db2.gz HRLDOVKIDNHQMB-OAHLLOKOSA-N 2 2 323.506 3.109 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420355802 433176610 /nfs/dbraw/zinc/17/66/10/433176610.db2.gz CMFQONRHDFGNRS-ZRGWGRIASA-N 2 2 323.440 3.279 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420355802 433176621 /nfs/dbraw/zinc/17/66/21/433176621.db2.gz CMFQONRHDFGNRS-ZRGWGRIASA-N 2 2 323.440 3.279 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000420357865 433177238 /nfs/dbraw/zinc/17/72/38/433177238.db2.gz DUTGHUBDXGKHPT-XUJVJEKNSA-N 2 2 316.367 3.104 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420358466 433177284 /nfs/dbraw/zinc/17/72/84/433177284.db2.gz IVEWLZIOBUSGLU-CYBMUJFWSA-N 2 2 304.356 3.091 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420354839 433177619 /nfs/dbraw/zinc/17/76/19/433177619.db2.gz DOKFMVAHRKFUEO-MRXNPFEDSA-N 2 2 323.868 3.084 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cs2)o1 ZINC000420352571 433177838 /nfs/dbraw/zinc/17/78/38/433177838.db2.gz ASMMKSFEHCZMMA-AWEZNQCLSA-N 2 2 305.447 3.189 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000420365069 433180926 /nfs/dbraw/zinc/18/09/26/433180926.db2.gz KSBNKJPJPYKRRQ-GPCCPHFNSA-N 2 2 315.230 3.064 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000420361824 433183552 /nfs/dbraw/zinc/18/35/52/433183552.db2.gz MUCNOWHDJDPKIT-HNNXBMFYSA-N 2 2 319.836 3.473 20 0 DGADLP CCc1ccc([C@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420367603 433184114 /nfs/dbraw/zinc/18/41/14/433184114.db2.gz HDPUYWZRLFLCMH-MRXNPFEDSA-N 2 2 316.449 3.313 20 0 DGADLP CCn1c2cccc(F)c2nc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420372692 433186786 /nfs/dbraw/zinc/18/67/86/433186786.db2.gz QKRDZCFHWBRSLG-OAHLLOKOSA-N 2 2 318.440 3.193 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336718240 433187793 /nfs/dbraw/zinc/18/77/93/433187793.db2.gz RIWREASRXMXFEC-JXFKEZNVSA-N 2 2 310.441 3.448 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336718240 433187797 /nfs/dbraw/zinc/18/77/97/433187797.db2.gz RIWREASRXMXFEC-JXFKEZNVSA-N 2 2 310.441 3.448 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000420382750 433193977 /nfs/dbraw/zinc/19/39/77/433193977.db2.gz ZZGOZLNIBSGNKK-WQGACYEGSA-N 2 2 303.837 3.364 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726567 433268379 /nfs/dbraw/zinc/26/83/79/433268379.db2.gz GGJXPKGVXKJWPX-PWSUYJOCSA-N 2 2 321.412 3.324 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726567 433268384 /nfs/dbraw/zinc/26/83/84/433268384.db2.gz GGJXPKGVXKJWPX-PWSUYJOCSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726567 433268396 /nfs/dbraw/zinc/26/83/96/433268396.db2.gz GGJXPKGVXKJWPX-PWSUYJOCSA-N 2 2 321.412 3.324 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(F)(F)F)s2)[C@H](C)C1 ZINC000447726567 433268400 /nfs/dbraw/zinc/26/84/00/433268400.db2.gz GGJXPKGVXKJWPX-PWSUYJOCSA-N 2 2 321.412 3.324 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCC[N@@H+](C)C2CC2)n1-c1ccccc1 ZINC000453591519 433217799 /nfs/dbraw/zinc/21/77/99/433217799.db2.gz CLHUFXCAOIKOQA-UHFFFAOYSA-N 3 2 312.461 3.145 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCC[N@H+](C)C2CC2)n1-c1ccccc1 ZINC000453591519 433217807 /nfs/dbraw/zinc/21/78/07/433217807.db2.gz CLHUFXCAOIKOQA-UHFFFAOYSA-N 3 2 312.461 3.145 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)COC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000337334934 433219899 /nfs/dbraw/zinc/21/98/99/433219899.db2.gz LBSZUWHDPQIEEI-APWZRJJASA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)COC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000337334934 433219909 /nfs/dbraw/zinc/21/99/09/433219909.db2.gz LBSZUWHDPQIEEI-APWZRJJASA-N 2 2 304.478 3.226 20 0 DGADLP COC(=O)c1cccc2c1CC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000453600611 433228677 /nfs/dbraw/zinc/22/86/77/433228677.db2.gz RNIBRWPUGJMJHR-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP COC(=O)c1cccc2c1CC[N@@H+](CCCc1c[nH+]ccc1C)C2 ZINC000453600611 433228688 /nfs/dbraw/zinc/22/86/88/433228688.db2.gz RNIBRWPUGJMJHR-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447564885 433230450 /nfs/dbraw/zinc/23/04/50/433230450.db2.gz ZJRZCDYGNMKKJM-QLFBSQMISA-N 2 2 322.449 3.085 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447564885 433230457 /nfs/dbraw/zinc/23/04/57/433230457.db2.gz ZJRZCDYGNMKKJM-QLFBSQMISA-N 2 2 322.449 3.085 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000291467119 433244394 /nfs/dbraw/zinc/24/43/94/433244394.db2.gz DMODXMFXXASKQY-GOSISDBHSA-N 2 2 316.470 3.462 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604325 433245715 /nfs/dbraw/zinc/24/57/15/433245715.db2.gz ZXTVGLIDSPSHPJ-RDJZCZTQSA-N 2 2 301.478 3.420 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604325 433245725 /nfs/dbraw/zinc/24/57/25/433245725.db2.gz ZXTVGLIDSPSHPJ-RDJZCZTQSA-N 2 2 301.478 3.420 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569022 433251047 /nfs/dbraw/zinc/25/10/47/433251047.db2.gz ZGWJVEJWOUVSMW-RYUDHWBXSA-N 2 2 315.255 3.347 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569022 433251056 /nfs/dbraw/zinc/25/10/56/433251056.db2.gz ZGWJVEJWOUVSMW-RYUDHWBXSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569022 433251063 /nfs/dbraw/zinc/25/10/63/433251063.db2.gz ZGWJVEJWOUVSMW-RYUDHWBXSA-N 2 2 315.255 3.347 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)o2)C[C@@H]1C ZINC000361569022 433251071 /nfs/dbraw/zinc/25/10/71/433251071.db2.gz ZGWJVEJWOUVSMW-RYUDHWBXSA-N 2 2 315.255 3.347 20 0 DGADLP CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000425477407 433256717 /nfs/dbraw/zinc/25/67/17/433256717.db2.gz NXDPXWYPMHIEMY-INIZCTEOSA-N 2 2 321.465 3.250 20 0 DGADLP CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000425477407 433256723 /nfs/dbraw/zinc/25/67/23/433256723.db2.gz NXDPXWYPMHIEMY-INIZCTEOSA-N 2 2 321.465 3.250 20 0 DGADLP Oc1ccc2c(c1)C1(CC1)C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000361572279 433257789 /nfs/dbraw/zinc/25/77/89/433257789.db2.gz CQVNENCHUYYWRV-UHFFFAOYSA-N 2 2 300.446 3.115 20 0 DGADLP Oc1ccc2c(c1)C1(CC1)C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000361572279 433257799 /nfs/dbraw/zinc/25/77/99/433257799.db2.gz CQVNENCHUYYWRV-UHFFFAOYSA-N 2 2 300.446 3.115 20 0 DGADLP CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000425477409 433257842 /nfs/dbraw/zinc/25/78/42/433257842.db2.gz NXDPXWYPMHIEMY-MRXNPFEDSA-N 2 2 321.465 3.250 20 0 DGADLP CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000425477409 433257848 /nfs/dbraw/zinc/25/78/48/433257848.db2.gz NXDPXWYPMHIEMY-MRXNPFEDSA-N 2 2 321.465 3.250 20 0 DGADLP Cc1oncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374534290 433211078 /nfs/dbraw/zinc/21/10/78/433211078.db2.gz CYTNRMYHIDETIG-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1oncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374534290 433211089 /nfs/dbraw/zinc/21/10/89/433211089.db2.gz CYTNRMYHIDETIG-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000281281283 433279865 /nfs/dbraw/zinc/27/98/65/433279865.db2.gz PWNHAAUJCNMTQM-BBWFWOEESA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000281281283 433279874 /nfs/dbraw/zinc/27/98/74/433279874.db2.gz PWNHAAUJCNMTQM-BBWFWOEESA-N 2 2 301.478 3.489 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000422939943 289736891 /nfs/dbraw/zinc/73/68/91/289736891.db2.gz MMOWMFIFNWOPFQ-CJNGLKHVSA-N 2 2 308.853 3.076 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281414383 433299918 /nfs/dbraw/zinc/29/99/18/433299918.db2.gz RHQZFEXXCYEQDX-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281414383 433299931 /nfs/dbraw/zinc/29/99/31/433299931.db2.gz RHQZFEXXCYEQDX-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP C[C@@H](C[NH2+]Cc1csc(COc2ccccc2)n1)C[NH+](C)C ZINC000291654709 433300501 /nfs/dbraw/zinc/30/05/01/433300501.db2.gz DEPSRQTVZQGHOQ-AWEZNQCLSA-N 2 2 319.474 3.009 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420955508 433349128 /nfs/dbraw/zinc/34/91/28/433349128.db2.gz XNXWMWIOKMFSOY-FZNQNYSPSA-N 2 2 313.445 3.007 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448032874 433355282 /nfs/dbraw/zinc/35/52/82/433355282.db2.gz XMDGWVXWWASNNX-QBPKDAKJSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448032874 433355289 /nfs/dbraw/zinc/35/52/89/433355289.db2.gz XMDGWVXWWASNNX-QBPKDAKJSA-N 2 2 306.494 3.044 20 0 DGADLP CC[N@H+](CCC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910580 433355735 /nfs/dbraw/zinc/35/57/35/433355735.db2.gz OZMCAXSDUBNIHE-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CC[N@@H+](CCC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910580 433355745 /nfs/dbraw/zinc/35/57/45/433355745.db2.gz OZMCAXSDUBNIHE-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CCC1CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341910580 433355755 /nfs/dbraw/zinc/35/57/55/433355755.db2.gz OZMCAXSDUBNIHE-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CCC1CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341910580 433355763 /nfs/dbraw/zinc/35/57/63/433355763.db2.gz OZMCAXSDUBNIHE-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000448035264 433357307 /nfs/dbraw/zinc/35/73/07/433357307.db2.gz OSEDDCVCHYYLQT-QGZVFWFLSA-N 2 2 308.510 3.436 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000448035264 433357318 /nfs/dbraw/zinc/35/73/18/433357318.db2.gz OSEDDCVCHYYLQT-QGZVFWFLSA-N 2 2 308.510 3.436 20 0 DGADLP CCCCCn1cc(C[NH2+]C2CC[NH+](CCC)CC2)c(C)n1 ZINC000341918061 433358501 /nfs/dbraw/zinc/35/85/01/433358501.db2.gz ZWLJSUNQBWKWQV-UHFFFAOYSA-N 2 2 306.498 3.346 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C2 ZINC000425922317 433372776 /nfs/dbraw/zinc/37/27/76/433372776.db2.gz QUOCXVACPKBRJR-FUHWJXTLSA-N 2 2 316.489 3.263 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]1C ZINC000414070101 433377181 /nfs/dbraw/zinc/37/71/81/433377181.db2.gz KXDAUAFQPSGKHW-IPELMVKDSA-N 2 2 302.462 3.043 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341874909 433330679 /nfs/dbraw/zinc/33/06/79/433330679.db2.gz KXFIAGLDIGWVST-ZIFCJYIRSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341874909 433330687 /nfs/dbraw/zinc/33/06/87/433330687.db2.gz KXFIAGLDIGWVST-ZIFCJYIRSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341874909 433330695 /nfs/dbraw/zinc/33/06/95/433330695.db2.gz KXFIAGLDIGWVST-ZIFCJYIRSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341874909 433330705 /nfs/dbraw/zinc/33/07/05/433330705.db2.gz KXFIAGLDIGWVST-ZIFCJYIRSA-N 2 2 302.462 3.150 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000341882387 433334225 /nfs/dbraw/zinc/33/42/25/433334225.db2.gz HBXZCQWCTMFDNC-KKBVYLPWSA-N 2 2 308.853 3.100 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000341882387 433334236 /nfs/dbraw/zinc/33/42/36/433334236.db2.gz HBXZCQWCTMFDNC-KKBVYLPWSA-N 2 2 308.853 3.100 20 0 DGADLP C[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000339067702 433341491 /nfs/dbraw/zinc/34/14/91/433341491.db2.gz KTGSMZGMSBCVIK-MDZRGWNJSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000339067702 433341502 /nfs/dbraw/zinc/34/15/02/433341502.db2.gz KTGSMZGMSBCVIK-MDZRGWNJSA-N 2 2 302.462 3.227 20 0 DGADLP CCC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCOCC1 ZINC000291766420 433342305 /nfs/dbraw/zinc/34/23/05/433342305.db2.gz SFCPWAQRCMETGT-UHFFFAOYSA-N 2 2 313.445 3.477 20 0 DGADLP CC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895907 433343979 /nfs/dbraw/zinc/34/39/79/433343979.db2.gz MXEVKRUTKYKZLV-OALUTQOASA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341895907 433343987 /nfs/dbraw/zinc/34/39/87/433343987.db2.gz MXEVKRUTKYKZLV-OALUTQOASA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341895907 433343996 /nfs/dbraw/zinc/34/39/96/433343996.db2.gz MXEVKRUTKYKZLV-OALUTQOASA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341895907 433344008 /nfs/dbraw/zinc/34/40/08/433344008.db2.gz MXEVKRUTKYKZLV-OALUTQOASA-N 2 2 302.462 3.152 20 0 DGADLP Oc1cccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1Cl ZINC000339188004 433425236 /nfs/dbraw/zinc/42/52/36/433425236.db2.gz NTMOSRWJIXZKNO-UHFFFAOYSA-N 2 2 301.777 3.026 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)C2 ZINC000425927640 433378436 /nfs/dbraw/zinc/37/84/36/433378436.db2.gz XALOEWKBBRLKIM-RYRKJORJSA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)C2 ZINC000425927640 433378444 /nfs/dbraw/zinc/37/84/44/433378444.db2.gz XALOEWKBBRLKIM-RYRKJORJSA-N 2 2 316.489 3.405 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135171 433381272 /nfs/dbraw/zinc/38/12/72/433381272.db2.gz IIFLCNUJIMIMAI-ZFWWWQNUSA-N 2 2 307.401 3.205 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135171 433381282 /nfs/dbraw/zinc/38/12/82/433381282.db2.gz IIFLCNUJIMIMAI-ZFWWWQNUSA-N 2 2 307.401 3.205 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361769672 433381319 /nfs/dbraw/zinc/38/13/19/433381319.db2.gz GSODZYDDWPBNMX-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361769672 433381329 /nfs/dbraw/zinc/38/13/29/433381329.db2.gz GSODZYDDWPBNMX-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1c1nc(CCc2[nH+]cccc2C)no1 ZINC000351133518 433383281 /nfs/dbraw/zinc/38/32/81/433383281.db2.gz SEWWRFPLDRUXGW-OAHLLOKOSA-N 2 2 300.406 3.105 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1c1nc(CCc2[nH+]cccc2C)no1 ZINC000351133518 433383290 /nfs/dbraw/zinc/38/32/90/433383290.db2.gz SEWWRFPLDRUXGW-OAHLLOKOSA-N 2 2 300.406 3.105 20 0 DGADLP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000354977817 433387866 /nfs/dbraw/zinc/38/78/66/433387866.db2.gz XJFLFGVGOZKMHL-AWEZNQCLSA-N 2 2 315.383 3.367 20 0 DGADLP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000354974469 433388393 /nfs/dbraw/zinc/38/83/93/433388393.db2.gz PWLPRONCCJWYIN-CYBMUJFWSA-N 2 2 315.383 3.367 20 0 DGADLP CSCc1cnc(C[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000339165845 433408451 /nfs/dbraw/zinc/40/84/51/433408451.db2.gz BTCHCMDGWRGGKD-UHFFFAOYSA-N 2 2 313.536 3.218 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000426074925 433415170 /nfs/dbraw/zinc/41/51/70/433415170.db2.gz VXSDVDARYMVHIE-IRXDYDNUSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000426074925 433415185 /nfs/dbraw/zinc/41/51/85/433415185.db2.gz VXSDVDARYMVHIE-IRXDYDNUSA-N 2 2 314.473 3.159 20 0 DGADLP Cc1nocc1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000339178062 433416399 /nfs/dbraw/zinc/41/63/99/433416399.db2.gz JMHPZUNQXFHEPK-LJQANCHMSA-N 2 2 313.445 3.156 20 0 DGADLP Cc1nocc1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000339178062 433416407 /nfs/dbraw/zinc/41/64/07/433416407.db2.gz JMHPZUNQXFHEPK-LJQANCHMSA-N 2 2 313.445 3.156 20 0 DGADLP CCc1nocc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000339183173 433419580 /nfs/dbraw/zinc/41/95/80/433419580.db2.gz BYAWUSIKQYAWHT-UHFFFAOYSA-N 2 2 317.408 3.130 20 0 DGADLP FC1(c2cccnc2)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000375305353 433421829 /nfs/dbraw/zinc/42/18/29/433421829.db2.gz ZVYYIHPCPRQCDJ-UHFFFAOYSA-N 2 2 310.376 3.190 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170124 433436836 /nfs/dbraw/zinc/43/68/36/433436836.db2.gz BRHPLMWFELDSNN-OQIJWPOYSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccn(C)n1 ZINC000414170124 433436848 /nfs/dbraw/zinc/43/68/48/433436848.db2.gz BRHPLMWFELDSNN-OQIJWPOYSA-N 2 2 324.472 3.266 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000339210098 433437450 /nfs/dbraw/zinc/43/74/50/433437450.db2.gz LVEXDSYVBSXURV-YESZJQIVSA-N 2 2 321.465 3.011 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052223 433440933 /nfs/dbraw/zinc/44/09/33/433440933.db2.gz BRSNGGZTAKBILT-BEFAXECRSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292052223 433440944 /nfs/dbraw/zinc/44/09/44/433440944.db2.gz BRSNGGZTAKBILT-BEFAXECRSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292052223 433440951 /nfs/dbraw/zinc/44/09/51/433440951.db2.gz BRSNGGZTAKBILT-BEFAXECRSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292052223 433440957 /nfs/dbraw/zinc/44/09/57/433440957.db2.gz BRSNGGZTAKBILT-BEFAXECRSA-N 2 2 311.429 3.430 20 0 DGADLP CC1(C)COCC[N@@H+]1CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000342059223 433442321 /nfs/dbraw/zinc/44/23/21/433442321.db2.gz IFFASAUPZFMWMQ-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP CC1(C)COCC[N@H+]1CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000342059223 433442329 /nfs/dbraw/zinc/44/23/29/433442329.db2.gz IFFASAUPZFMWMQ-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179098 433443991 /nfs/dbraw/zinc/44/39/91/433443991.db2.gz LEPWEFIRXYJGTB-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179098 433444000 /nfs/dbraw/zinc/44/40/00/433444000.db2.gz LEPWEFIRXYJGTB-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]3C3CC3)CC2)ccn1 ZINC000414195673 433454702 /nfs/dbraw/zinc/45/47/02/433454702.db2.gz OFHSYNCCYQTWAQ-AZUAARDMSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1c[nH+]ccc1N ZINC000423438207 290000126 /nfs/dbraw/zinc/00/01/26/290000126.db2.gz MTPVWBQEHQTPMO-MEDUHNTESA-N 2 2 312.417 3.029 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201289 290030708 /nfs/dbraw/zinc/03/07/08/290030708.db2.gz WUINQMQUYBEKRE-LJIGWXMPSA-N 2 2 302.466 3.132 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201289 290030711 /nfs/dbraw/zinc/03/07/11/290030711.db2.gz WUINQMQUYBEKRE-LJIGWXMPSA-N 2 2 302.466 3.132 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450396751 290241302 /nfs/dbraw/zinc/24/13/02/290241302.db2.gz UKVYIGPQRGGBBQ-BBRMVZONSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450396751 290241304 /nfs/dbraw/zinc/24/13/04/290241304.db2.gz UKVYIGPQRGGBBQ-BBRMVZONSA-N 2 2 321.428 3.032 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCOc3c(F)cccc3C2)c[nH+]1 ZINC000355130679 433480511 /nfs/dbraw/zinc/48/05/11/433480511.db2.gz XWUBHVUMEOFLDT-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCOc3c(F)cccc3C2)c[nH+]1 ZINC000355130679 433480520 /nfs/dbraw/zinc/48/05/20/433480520.db2.gz XWUBHVUMEOFLDT-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351437497 433511799 /nfs/dbraw/zinc/51/17/99/433511799.db2.gz BUDROCYLECOCKF-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351437497 433511810 /nfs/dbraw/zinc/51/18/10/433511810.db2.gz BUDROCYLECOCKF-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](Cc1ccc2ccccc2c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351437497 433511821 /nfs/dbraw/zinc/51/18/21/433511821.db2.gz BUDROCYLECOCKF-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](Cc1ccc2ccccc2c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351437497 433511822 /nfs/dbraw/zinc/51/18/22/433511822.db2.gz BUDROCYLECOCKF-FQEVSTJZSA-N 2 2 312.457 3.117 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286913 433514185 /nfs/dbraw/zinc/51/41/85/433514185.db2.gz NSQUAQFSCPBLAQ-NRSFXHEJSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286913 433514190 /nfs/dbraw/zinc/51/41/90/433514190.db2.gz NSQUAQFSCPBLAQ-NRSFXHEJSA-N 2 2 305.441 3.162 20 0 DGADLP CCc1nocc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000351452986 433517159 /nfs/dbraw/zinc/51/71/59/433517159.db2.gz OEJGVBNSJIGIBI-UHFFFAOYSA-N 2 2 313.445 3.333 20 0 DGADLP CCc1nocc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000351452986 433517169 /nfs/dbraw/zinc/51/71/69/433517169.db2.gz OEJGVBNSJIGIBI-UHFFFAOYSA-N 2 2 313.445 3.333 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c[nH+]1 ZINC000351492575 433532848 /nfs/dbraw/zinc/53/28/48/433532848.db2.gz MCFBSIWYYNHDNO-MRXNPFEDSA-N 2 2 313.449 3.162 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCCC34CCOCC4)[nH]c2c1 ZINC000282233794 433540122 /nfs/dbraw/zinc/54/01/22/433540122.db2.gz POAHGXYZRLZGEY-QGZVFWFLSA-N 2 2 313.445 3.434 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000339279753 433492575 /nfs/dbraw/zinc/49/25/75/433492575.db2.gz POJSSWSDKQUWCV-GUYCJALGSA-N 2 2 319.474 3.471 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)CC(F)(F)F ZINC000414278377 433505051 /nfs/dbraw/zinc/50/50/51/433505051.db2.gz HVKAGTHWTXNWJS-ZDUSSCGKSA-N 2 2 315.383 3.224 20 0 DGADLP CCc1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(C)[nH+]1 ZINC000342233544 433555155 /nfs/dbraw/zinc/55/51/55/433555155.db2.gz QHZKNIUDZXXLNY-IAGOWNOFSA-N 2 2 316.493 3.438 20 0 DGADLP CCc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc(C)[nH+]1 ZINC000342233544 433555165 /nfs/dbraw/zinc/55/51/65/433555165.db2.gz QHZKNIUDZXXLNY-IAGOWNOFSA-N 2 2 316.493 3.438 20 0 DGADLP c1ccc(C[C@H]2C[C@@H]2[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414358888 433566692 /nfs/dbraw/zinc/56/66/92/433566692.db2.gz MWMWVBIMNQIIAA-FPOVZHCZSA-N 2 2 321.468 3.267 20 0 DGADLP c1cc2cccc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)c2[nH]1 ZINC000351550852 433569381 /nfs/dbraw/zinc/56/93/81/433569381.db2.gz PNCKKBUQKKELSC-UHFFFAOYSA-N 2 2 303.369 3.420 20 0 DGADLP CCc1ncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000414358304 433570231 /nfs/dbraw/zinc/57/02/31/433570231.db2.gz BNVBWVPBYCIPSB-MRXNPFEDSA-N 2 2 312.461 3.039 20 0 DGADLP CCc1ncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000414358304 433570240 /nfs/dbraw/zinc/57/02/40/433570240.db2.gz BNVBWVPBYCIPSB-MRXNPFEDSA-N 2 2 312.461 3.039 20 0 DGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc4[nH+]ccn4c3)ccc21 ZINC000456292030 433575729 /nfs/dbraw/zinc/57/57/29/433575729.db2.gz ZHOPCGNAEZJHJW-KRWDZBQOSA-N 2 2 320.396 3.136 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565342 433577416 /nfs/dbraw/zinc/57/74/16/433577416.db2.gz WJSZZRZSYJIYSS-MJGOQNOKSA-N 2 2 302.462 3.107 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565342 433577420 /nfs/dbraw/zinc/57/74/20/433577420.db2.gz WJSZZRZSYJIYSS-MJGOQNOKSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565342 433577422 /nfs/dbraw/zinc/57/74/22/433577422.db2.gz WJSZZRZSYJIYSS-MJGOQNOKSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565342 433577429 /nfs/dbraw/zinc/57/74/29/433577429.db2.gz WJSZZRZSYJIYSS-MJGOQNOKSA-N 2 2 302.462 3.107 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc3nccn32)[nH+]1 ZINC000375827439 433580189 /nfs/dbraw/zinc/58/01/89/433580189.db2.gz ZKMZXZLMDMBUDG-INIZCTEOSA-N 2 2 321.428 3.114 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439328 433586017 /nfs/dbraw/zinc/58/60/17/433586017.db2.gz UAQUDEDLVOFTBR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439328 433586026 /nfs/dbraw/zinc/58/60/26/433586026.db2.gz UAQUDEDLVOFTBR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439328 433586035 /nfs/dbraw/zinc/58/60/35/433586035.db2.gz UAQUDEDLVOFTBR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439328 433586043 /nfs/dbraw/zinc/58/60/43/433586043.db2.gz UAQUDEDLVOFTBR-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP COc1cc[nH+]c(CN(C)C(C)(C)C[NH+]2CCCCCC2)c1 ZINC000426763629 433588237 /nfs/dbraw/zinc/58/82/37/433588237.db2.gz SQKCCTYQCGLGJS-UHFFFAOYSA-N 2 2 305.466 3.177 20 0 DGADLP Fc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1Cl ZINC000351571481 433589591 /nfs/dbraw/zinc/58/95/91/433589591.db2.gz ZLFDZQDFIYDFBZ-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DGADLP Cc1nc(NC[C@@H](c2cccs2)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000301594800 433631400 /nfs/dbraw/zinc/63/14/00/433631400.db2.gz ZPDIIWPQPBESJO-HNNXBMFYSA-N 2 2 316.474 3.440 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC34CCC4)[nH+]c2)CC1 ZINC000282842320 433634621 /nfs/dbraw/zinc/63/46/21/433634621.db2.gz SVEFTIYXSDEPPX-QGZVFWFLSA-N 2 2 314.477 3.357 20 0 DGADLP Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)s1 ZINC000163548696 292869328 /nfs/dbraw/zinc/86/93/28/292869328.db2.gz LMPSUCWLPFSVJF-UHFFFAOYSA-N 2 2 322.397 3.193 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000351579864 433594903 /nfs/dbraw/zinc/59/49/03/433594903.db2.gz KQYAMBWLQDYIHY-RHSMWYFYSA-N 2 2 310.869 3.082 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000351579864 433594911 /nfs/dbraw/zinc/59/49/11/433594911.db2.gz KQYAMBWLQDYIHY-RHSMWYFYSA-N 2 2 310.869 3.082 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)nn1 ZINC000414408243 433600244 /nfs/dbraw/zinc/60/02/44/433600244.db2.gz LNPMIANPTGWVES-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C)nn1 ZINC000414408243 433600256 /nfs/dbraw/zinc/60/02/56/433600256.db2.gz LNPMIANPTGWVES-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342305217 433605981 /nfs/dbraw/zinc/60/59/81/433605981.db2.gz HIUJZKCJIKZINC-OXJNMPFZSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342305217 433605987 /nfs/dbraw/zinc/60/59/87/433605987.db2.gz HIUJZKCJIKZINC-OXJNMPFZSA-N 2 2 309.457 3.397 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000315576903 292891334 /nfs/dbraw/zinc/89/13/34/292891334.db2.gz MCYSJIJCEVNJGZ-CQSZACIVSA-N 2 2 303.406 3.031 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+]CC2(C)COC2)[NH+](C)C)cc1 ZINC000342309094 433607259 /nfs/dbraw/zinc/60/72/59/433607259.db2.gz SYFQEAKMTIFDNQ-SFHVURJKSA-N 2 2 304.478 3.114 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000293000759 433608652 /nfs/dbraw/zinc/60/86/52/433608652.db2.gz NUWPGODRVXNVOR-ZDUSSCGKSA-N 2 2 305.447 3.256 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccsc1Br ZINC000282444747 433609633 /nfs/dbraw/zinc/60/96/33/433609633.db2.gz NJWWOYVRPXLCEX-CKYFFXLPSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccsc1Br ZINC000282444747 433609641 /nfs/dbraw/zinc/60/96/41/433609641.db2.gz NJWWOYVRPXLCEX-CKYFFXLPSA-N 2 2 317.296 3.329 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351624695 433619602 /nfs/dbraw/zinc/61/96/02/433619602.db2.gz ZMQFHOSQZJWCDH-YJBOKZPZSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351624695 433619616 /nfs/dbraw/zinc/61/96/16/433619616.db2.gz ZMQFHOSQZJWCDH-YJBOKZPZSA-N 2 2 313.445 3.164 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427117517 433653442 /nfs/dbraw/zinc/65/34/42/433653442.db2.gz MPOUDJHDJMVZSR-HKUYNNGSSA-N 2 2 311.404 3.072 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427117517 433653451 /nfs/dbraw/zinc/65/34/51/433653451.db2.gz MPOUDJHDJMVZSR-HKUYNNGSSA-N 2 2 311.404 3.072 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427124553 433654721 /nfs/dbraw/zinc/65/47/21/433654721.db2.gz STGINCOCUQMIDU-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427124553 433654730 /nfs/dbraw/zinc/65/47/30/433654730.db2.gz STGINCOCUQMIDU-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3ccc(C[NH+](C)C)cc3F)n2c1 ZINC000414493506 433659814 /nfs/dbraw/zinc/65/98/14/433659814.db2.gz BYZBQHJNHOHCEP-UHFFFAOYSA-N 2 2 312.392 3.456 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427138214 433661191 /nfs/dbraw/zinc/66/11/91/433661191.db2.gz VWNADXSMYSYEKB-RDJZCZTQSA-N 2 2 313.470 3.302 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)cc1 ZINC000427138214 433661200 /nfs/dbraw/zinc/66/12/00/433661200.db2.gz VWNADXSMYSYEKB-RDJZCZTQSA-N 2 2 313.470 3.302 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000376087049 433661652 /nfs/dbraw/zinc/66/16/52/433661652.db2.gz WNPXLLCTKFTPJW-SOLBZPMBSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000376087049 433661667 /nfs/dbraw/zinc/66/16/67/433661667.db2.gz WNPXLLCTKFTPJW-SOLBZPMBSA-N 2 2 316.493 3.053 20 0 DGADLP COc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000339573736 433662500 /nfs/dbraw/zinc/66/25/00/433662500.db2.gz ORHJFDADPKADEM-GXTWGEPZSA-N 2 2 308.853 3.106 20 0 DGADLP COc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000339573736 433662517 /nfs/dbraw/zinc/66/25/17/433662517.db2.gz ORHJFDADPKADEM-GXTWGEPZSA-N 2 2 308.853 3.106 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000351685997 433663505 /nfs/dbraw/zinc/66/35/05/433663505.db2.gz PGAUKZFVMPTXCT-MRXNPFEDSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000351685997 433663510 /nfs/dbraw/zinc/66/35/10/433663510.db2.gz PGAUKZFVMPTXCT-MRXNPFEDSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c(C)[nH+]1 ZINC000301667533 433665799 /nfs/dbraw/zinc/66/57/99/433665799.db2.gz CVELLDOTVNPJQB-UHFFFAOYSA-N 2 2 307.401 3.259 20 0 DGADLP Cc1nc(N2CC[NH+](C3CCC(C)CC3)CC2)c(C)c(C)[nH+]1 ZINC000301673774 433669541 /nfs/dbraw/zinc/66/95/41/433669541.db2.gz GKGJYDUSIZKWKB-UHFFFAOYSA-N 2 2 302.466 3.103 20 0 DGADLP CC[C@@H](Nc1cccc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301672262 433670026 /nfs/dbraw/zinc/67/00/26/433670026.db2.gz QWONCXNCGABEAH-MSOLQXFVSA-N 2 2 311.429 3.173 20 0 DGADLP CC[C@@H](Nc1cccc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301672262 433670034 /nfs/dbraw/zinc/67/00/34/433670034.db2.gz QWONCXNCGABEAH-MSOLQXFVSA-N 2 2 311.429 3.173 20 0 DGADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c(C)c(C)[nH+]1 ZINC000301681210 433672945 /nfs/dbraw/zinc/67/29/45/433672945.db2.gz JTRWXXYLNYKBPP-LLVKDONJSA-N 2 2 316.474 3.322 20 0 DGADLP Cc1nc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)c(C)c(C)[nH+]1 ZINC000301681210 433672955 /nfs/dbraw/zinc/67/29/55/433672955.db2.gz JTRWXXYLNYKBPP-LLVKDONJSA-N 2 2 316.474 3.322 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700705 433675063 /nfs/dbraw/zinc/67/50/63/433675063.db2.gz QVWWHRLHDJAKHR-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700705 433675075 /nfs/dbraw/zinc/67/50/75/433675075.db2.gz QVWWHRLHDJAKHR-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700705 433675087 /nfs/dbraw/zinc/67/50/87/433675087.db2.gz QVWWHRLHDJAKHR-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700705 433675098 /nfs/dbraw/zinc/67/50/98/433675098.db2.gz QVWWHRLHDJAKHR-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP CCc1nc(N2CC[NH+](C3CCC(C)CC3)CC2)cc(C)[nH+]1 ZINC000342417747 433676827 /nfs/dbraw/zinc/67/68/27/433676827.db2.gz RONFDCZJJPJTGW-UHFFFAOYSA-N 2 2 302.466 3.048 20 0 DGADLP Cc1nc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301688913 433677028 /nfs/dbraw/zinc/67/70/28/433677028.db2.gz MVNHUEHKUMHKMU-HNNXBMFYSA-N 2 2 320.387 3.395 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnn1C1CCCC1 ZINC000449026833 433679923 /nfs/dbraw/zinc/67/99/23/433679923.db2.gz GVMTWNKVPGNYFA-INIZCTEOSA-N 2 2 304.482 3.304 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnn1C1CCCC1 ZINC000449026833 433679930 /nfs/dbraw/zinc/67/99/30/433679930.db2.gz GVMTWNKVPGNYFA-INIZCTEOSA-N 2 2 304.482 3.304 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnn1C1CCCC1 ZINC000449026833 433679937 /nfs/dbraw/zinc/67/99/37/433679937.db2.gz GVMTWNKVPGNYFA-INIZCTEOSA-N 2 2 304.482 3.304 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccnn1C1CCCC1 ZINC000449026833 433679948 /nfs/dbraw/zinc/67/99/48/433679948.db2.gz GVMTWNKVPGNYFA-INIZCTEOSA-N 2 2 304.482 3.304 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(C2CCCC2)n1 ZINC000449029815 433683754 /nfs/dbraw/zinc/68/37/54/433683754.db2.gz PSKIURSKAOIIJY-KRWDZBQOSA-N 2 2 316.493 3.449 20 0 DGADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(C2CCCC2)n1 ZINC000449029815 433683763 /nfs/dbraw/zinc/68/37/63/433683763.db2.gz PSKIURSKAOIIJY-KRWDZBQOSA-N 2 2 316.493 3.449 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000427103678 433650538 /nfs/dbraw/zinc/65/05/38/433650538.db2.gz WOUBCIMTUROCTA-XPKDYRNWSA-N 2 2 323.278 3.236 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000427103678 433650548 /nfs/dbraw/zinc/65/05/48/433650548.db2.gz WOUBCIMTUROCTA-XPKDYRNWSA-N 2 2 323.278 3.236 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000367090803 293024183 /nfs/dbraw/zinc/02/41/83/293024183.db2.gz CTDDFQUWPSOYLM-SZMVWBNQSA-N 2 2 302.462 3.227 20 0 DGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367206750 293037714 /nfs/dbraw/zinc/03/77/14/293037714.db2.gz QZACYIBESNPUJA-JKSUJKDBSA-N 2 2 302.397 3.275 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000367308675 293051883 /nfs/dbraw/zinc/05/18/83/293051883.db2.gz QFTRQFSQCMGBRJ-OAHLLOKOSA-N 2 2 304.340 3.324 20 0 DGADLP COc1cccc2c1OCC[C@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000367358033 293060489 /nfs/dbraw/zinc/06/04/89/293060489.db2.gz YVFAYHZWYMSJJA-QGZVFWFLSA-N 2 2 312.413 3.445 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000367358032 293060767 /nfs/dbraw/zinc/06/07/67/293060767.db2.gz YVFAYHZWYMSJJA-KRWDZBQOSA-N 2 2 312.413 3.445 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449039276 433695532 /nfs/dbraw/zinc/69/55/32/433695532.db2.gz YXTXMPIRKIYNKV-MRXNPFEDSA-N 2 2 304.482 3.162 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449039276 433695538 /nfs/dbraw/zinc/69/55/38/433695538.db2.gz YXTXMPIRKIYNKV-MRXNPFEDSA-N 2 2 304.482 3.162 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449039276 433695544 /nfs/dbraw/zinc/69/55/44/433695544.db2.gz YXTXMPIRKIYNKV-MRXNPFEDSA-N 2 2 304.482 3.162 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449039276 433695548 /nfs/dbraw/zinc/69/55/48/433695548.db2.gz YXTXMPIRKIYNKV-MRXNPFEDSA-N 2 2 304.482 3.162 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000414538504 433701518 /nfs/dbraw/zinc/70/15/18/433701518.db2.gz QVBOYFFMIDECFY-IAGOWNOFSA-N 2 2 324.509 3.208 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)[nH+]1 ZINC000369898689 293144819 /nfs/dbraw/zinc/14/48/19/293144819.db2.gz AOFADZGYXXGZHI-INIZCTEOSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)[nH+]1 ZINC000369898689 293144820 /nfs/dbraw/zinc/14/48/20/293144820.db2.gz AOFADZGYXXGZHI-INIZCTEOSA-N 2 2 313.449 3.244 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000370165020 293160283 /nfs/dbraw/zinc/16/02/83/293160283.db2.gz ZBWNSOSWTSFHMR-HIFRSBDPSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000370165020 293160284 /nfs/dbraw/zinc/16/02/84/293160284.db2.gz ZBWNSOSWTSFHMR-HIFRSBDPSA-N 2 2 323.400 3.400 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3COc4ccccc43)cc2)c[nH+]1 ZINC000342447881 433699469 /nfs/dbraw/zinc/69/94/69/433699469.db2.gz OHJZEJZZBQVUSF-MRXNPFEDSA-N 2 2 305.381 3.138 20 0 DGADLP Cc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000362434099 433710382 /nfs/dbraw/zinc/71/03/82/433710382.db2.gz JLLNZYVQWKQFNO-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000362434099 433710389 /nfs/dbraw/zinc/71/03/89/433710389.db2.gz JLLNZYVQWKQFNO-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000362434099 433710397 /nfs/dbraw/zinc/71/03/97/433710397.db2.gz JLLNZYVQWKQFNO-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000362434099 433710401 /nfs/dbraw/zinc/71/04/01/433710401.db2.gz JLLNZYVQWKQFNO-IBGZPJMESA-N 2 2 309.457 3.344 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000372054951 293226777 /nfs/dbraw/zinc/22/67/77/293226777.db2.gz ISWCZDRBBKJMKH-HIFRSBDPSA-N 2 2 315.383 3.224 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000372054951 293226779 /nfs/dbraw/zinc/22/67/79/293226779.db2.gz ISWCZDRBBKJMKH-HIFRSBDPSA-N 2 2 315.383 3.224 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000372310940 293232670 /nfs/dbraw/zinc/23/26/70/293232670.db2.gz GQQNCOTVRJTSFN-UHFFFAOYSA-N 2 2 308.429 3.430 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000372310940 293232675 /nfs/dbraw/zinc/23/26/75/293232675.db2.gz GQQNCOTVRJTSFN-UHFFFAOYSA-N 2 2 308.429 3.430 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CCC[NH2+]1 ZINC000423408700 293294183 /nfs/dbraw/zinc/29/41/83/293294183.db2.gz AWGZSOPWFVYFLH-LEWJYISDSA-N 2 2 324.468 3.443 20 0 DGADLP CCc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)cc(C)[nH+]1 ZINC000283508841 433736147 /nfs/dbraw/zinc/73/61/47/433736147.db2.gz JJCBTBIORXLSPJ-UHFFFAOYSA-N 2 2 311.433 3.345 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCCC2 ZINC000427881571 433745889 /nfs/dbraw/zinc/74/58/89/433745889.db2.gz ZSNPDGRFYRVDTN-JSGCOSHPSA-N 2 2 301.459 3.489 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc(-c2[nH+]c(C3CC3)n3ccccc23)n1 ZINC000414613812 433746346 /nfs/dbraw/zinc/74/63/46/433746346.db2.gz GJBBLCOQMKUGMZ-GFCCVEGCSA-N 2 2 311.389 3.308 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000427886754 433747506 /nfs/dbraw/zinc/74/75/06/433747506.db2.gz QLWMKQNIWASQLG-HOCLYGCPSA-N 2 2 309.413 3.234 20 0 DGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000283613808 433749740 /nfs/dbraw/zinc/74/97/40/433749740.db2.gz ZRJOINXTDVQWSQ-MDZDMXLPSA-N 2 2 324.428 3.438 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853164 433754912 /nfs/dbraw/zinc/75/49/12/433754912.db2.gz NZIGJIWBVSWDAU-UONOGXRCSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853164 433754921 /nfs/dbraw/zinc/75/49/21/433754921.db2.gz NZIGJIWBVSWDAU-UONOGXRCSA-N 2 2 316.474 3.364 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000421836079 433756592 /nfs/dbraw/zinc/75/65/92/433756592.db2.gz GMAVUWVOGPHPIF-BXUZGUMPSA-N 2 2 307.800 3.211 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863515 433759007 /nfs/dbraw/zinc/75/90/07/433759007.db2.gz UGIPHLDCNFNNPD-RISCZKNCSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863515 433759018 /nfs/dbraw/zinc/75/90/18/433759018.db2.gz UGIPHLDCNFNNPD-RISCZKNCSA-N 2 2 319.836 3.473 20 0 DGADLP CC[C@@H](c1nc(C2([NH3+])CCCC2)no1)[N@H+](C)Cc1ccccc1 ZINC000414632233 433763971 /nfs/dbraw/zinc/76/39/71/433763971.db2.gz ZGOMCIMCTCNZCU-HNNXBMFYSA-N 2 2 314.433 3.381 20 0 DGADLP CC[C@@H](c1nc(C2([NH3+])CCCC2)no1)[N@@H+](C)Cc1ccccc1 ZINC000414632233 433763978 /nfs/dbraw/zinc/76/39/78/433763978.db2.gz ZGOMCIMCTCNZCU-HNNXBMFYSA-N 2 2 314.433 3.381 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000343672655 433823840 /nfs/dbraw/zinc/82/38/40/433823840.db2.gz WTIYHAYZMFQVPO-AITUJVMLSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000343672655 433823852 /nfs/dbraw/zinc/82/38/52/433823852.db2.gz WTIYHAYZMFQVPO-AITUJVMLSA-N 2 2 302.462 3.084 20 0 DGADLP CC(C)c1cc(NC[C@H](C)C[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301881843 433773316 /nfs/dbraw/zinc/77/33/16/433773316.db2.gz WHYKJOHGBDCMLI-HNNXBMFYSA-N 2 2 320.481 3.104 20 0 DGADLP [NH3+][C@H]1CC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656831 433773364 /nfs/dbraw/zinc/77/33/64/433773364.db2.gz NOCSMJIKNBEATD-OCTSTCLRSA-N 2 2 308.425 3.312 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656831 433773374 /nfs/dbraw/zinc/77/33/74/433773374.db2.gz NOCSMJIKNBEATD-OCTSTCLRSA-N 2 2 308.425 3.312 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@@H](C)C[NH3+])o1 ZINC000414660417 433776008 /nfs/dbraw/zinc/77/60/08/433776008.db2.gz OCAMJEKKDVLKIL-AWEZNQCLSA-N 2 2 324.428 3.220 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@@H](C)C[NH3+])o1 ZINC000414660417 433776021 /nfs/dbraw/zinc/77/60/21/433776021.db2.gz OCAMJEKKDVLKIL-AWEZNQCLSA-N 2 2 324.428 3.220 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)s1 ZINC000449764058 433780366 /nfs/dbraw/zinc/78/03/66/433780366.db2.gz YATKQLVMIJGKDD-IARIHHJXSA-N 2 2 305.491 3.073 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)s1 ZINC000449764058 433780377 /nfs/dbraw/zinc/78/03/77/433780377.db2.gz YATKQLVMIJGKDD-IARIHHJXSA-N 2 2 305.491 3.073 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)n1-c1ccccc1 ZINC000293572191 433786085 /nfs/dbraw/zinc/78/60/85/433786085.db2.gz HBQXAXCJCJUZIQ-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)n1-c1ccccc1 ZINC000293572191 433786091 /nfs/dbraw/zinc/78/60/91/433786091.db2.gz HBQXAXCJCJUZIQ-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1-c1ccccc1 ZINC000293572191 433786102 /nfs/dbraw/zinc/78/61/02/433786102.db2.gz HBQXAXCJCJUZIQ-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1-c1ccccc1 ZINC000293572191 433786110 /nfs/dbraw/zinc/78/61/10/433786110.db2.gz HBQXAXCJCJUZIQ-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)n1-c1ccccc1 ZINC000293572191 433786117 /nfs/dbraw/zinc/78/61/17/433786117.db2.gz HBQXAXCJCJUZIQ-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)n1-c1ccccc1 ZINC000293572191 433786124 /nfs/dbraw/zinc/78/61/24/433786124.db2.gz HBQXAXCJCJUZIQ-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000430572425 433794027 /nfs/dbraw/zinc/79/40/27/433794027.db2.gz ODRKDAJAQLLMLW-MRXNPFEDSA-N 2 2 307.825 3.458 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NCCC3CC[NH+](C)CC3)c2c1 ZINC000301983230 433807367 /nfs/dbraw/zinc/80/73/67/433807367.db2.gz YGMRIZADGBUVPT-UHFFFAOYSA-N 2 2 314.433 3.091 20 0 DGADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560690 433817221 /nfs/dbraw/zinc/81/72/21/433817221.db2.gz VODBPFZBXMRTRF-SCLBCKFNSA-N 2 2 322.880 3.104 20 0 DGADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343560690 433817230 /nfs/dbraw/zinc/81/72/30/433817230.db2.gz VODBPFZBXMRTRF-SCLBCKFNSA-N 2 2 322.880 3.104 20 0 DGADLP CC[C@@H]1C[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000362676555 433818122 /nfs/dbraw/zinc/81/81/22/433818122.db2.gz VCRFJBKETSZJLE-CQSZACIVSA-N 2 2 319.836 3.411 20 0 DGADLP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CCO1 ZINC000362676555 433818130 /nfs/dbraw/zinc/81/81/30/433818130.db2.gz VCRFJBKETSZJLE-CQSZACIVSA-N 2 2 319.836 3.411 20 0 DGADLP COc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1OC(C)C ZINC000343612753 433820365 /nfs/dbraw/zinc/82/03/65/433820365.db2.gz HJUCOFVIRWCTBF-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP COc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1OC(C)C ZINC000343612753 433820377 /nfs/dbraw/zinc/82/03/77/433820377.db2.gz HJUCOFVIRWCTBF-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCCc3[nH]c4ccccc4[nH+]3)cn2c1 ZINC000284041735 433822747 /nfs/dbraw/zinc/82/27/47/433822747.db2.gz RVDIEJLQTJODOF-UHFFFAOYSA-N 2 2 319.412 3.241 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000284263539 433873397 /nfs/dbraw/zinc/87/33/97/433873397.db2.gz JBEYVPBARUGNBA-NTZNESFSSA-N 2 2 309.841 3.019 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000284263539 433873404 /nfs/dbraw/zinc/87/34/04/433873404.db2.gz JBEYVPBARUGNBA-NTZNESFSSA-N 2 2 309.841 3.019 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000414772955 433826840 /nfs/dbraw/zinc/82/68/40/433826840.db2.gz VYDWIQSTJFFOFA-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000414772955 433826849 /nfs/dbraw/zinc/82/68/49/433826849.db2.gz VYDWIQSTJFFOFA-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414788652 433834793 /nfs/dbraw/zinc/83/47/93/433834793.db2.gz DRVVDYGMOGFUQF-KRWDZBQOSA-N 2 2 314.477 3.243 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)ccc1OC ZINC000414795951 433839351 /nfs/dbraw/zinc/83/93/51/433839351.db2.gz BEGJFGOMGORLHA-UHFFFAOYSA-N 2 2 315.255 3.065 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414794326 433841215 /nfs/dbraw/zinc/84/12/15/433841215.db2.gz LVYBXGXICGNFRS-SECBINFHSA-N 2 2 311.676 3.237 20 0 DGADLP Cc1[nH+]c2ccccn2c1CNCC[NH2+]C1CCCCCC1 ZINC000414798935 433843818 /nfs/dbraw/zinc/84/38/18/433843818.db2.gz CQROQFHPXHVUHA-UHFFFAOYSA-N 2 2 300.450 3.045 20 0 DGADLP Cc1nc2ccccn2c1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414798935 433843834 /nfs/dbraw/zinc/84/38/34/433843834.db2.gz CQROQFHPXHVUHA-UHFFFAOYSA-N 2 2 300.450 3.045 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414810229 433852364 /nfs/dbraw/zinc/85/23/64/433852364.db2.gz HOXDYRVAGXKVTH-GFCCVEGCSA-N 2 2 322.346 3.374 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000414814865 433858220 /nfs/dbraw/zinc/85/82/20/433858220.db2.gz OIVKKIHBZZVCQW-LBPRGKRZSA-N 2 2 303.219 3.195 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)on2)cc1 ZINC000357087327 433859234 /nfs/dbraw/zinc/85/92/34/433859234.db2.gz MWSNFYUWHOFNJT-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)on2)cc1 ZINC000357087327 433859243 /nfs/dbraw/zinc/85/92/43/433859243.db2.gz MWSNFYUWHOFNJT-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000414819261 433859768 /nfs/dbraw/zinc/85/97/68/433859768.db2.gz YGXSVZDQBSXPRC-ZDUSSCGKSA-N 2 2 314.857 3.354 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000344303706 433864696 /nfs/dbraw/zinc/86/46/96/433864696.db2.gz VZAXFQFLUQKIQL-APHBMKBZSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000344303706 433864706 /nfs/dbraw/zinc/86/47/06/433864706.db2.gz VZAXFQFLUQKIQL-APHBMKBZSA-N 2 2 308.853 3.484 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2cn3cc(C)ccc3[nH+]2)c1C ZINC000284222140 433865280 /nfs/dbraw/zinc/86/52/80/433865280.db2.gz CULGVMCMVOYROI-UHFFFAOYSA-N 2 2 324.428 3.295 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)sc2c1 ZINC000414830756 433867166 /nfs/dbraw/zinc/86/71/66/433867166.db2.gz BNTZXJCVQYRXOM-HNNXBMFYSA-N 2 2 319.474 3.302 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832265 433868923 /nfs/dbraw/zinc/86/89/23/433868923.db2.gz OHAHCDZFQZHSLB-DOTOQJQBSA-N 2 2 311.429 3.002 20 0 DGADLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1SC ZINC000414838827 433870866 /nfs/dbraw/zinc/87/08/66/433870866.db2.gz VSYKSTWCEVXIGY-HNNXBMFYSA-N 2 2 302.443 3.207 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)C1CCCCC1 ZINC000414834696 433871340 /nfs/dbraw/zinc/87/13/40/433871340.db2.gz GYEZQLBGVFBXAK-AWEZNQCLSA-N 2 2 305.447 3.400 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414835522 433871994 /nfs/dbraw/zinc/87/19/94/433871994.db2.gz DCJXRGWXRUTGIQ-UHFFFAOYSA-N 2 2 314.376 3.048 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414838289 433872357 /nfs/dbraw/zinc/87/23/57/433872357.db2.gz VIJTVFXYOZVAPM-RHSMWYFYSA-N 2 2 312.413 3.026 20 0 DGADLP CSc1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414871322 433896521 /nfs/dbraw/zinc/89/65/21/433896521.db2.gz ULEPFZVURVYQDM-LBPRGKRZSA-N 2 2 315.280 3.013 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(C)c2)cc1 ZINC000414874308 433897218 /nfs/dbraw/zinc/89/72/18/433897218.db2.gz ASSIPXIXPAISLO-VQTJNVASSA-N 2 2 310.441 3.239 20 0 DGADLP CC(C)c1nc(N2CC[C@H](C[NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302917185 433907303 /nfs/dbraw/zinc/90/73/03/433907303.db2.gz WRXILOYPDUJFIA-CQSZACIVSA-N 2 2 304.482 3.285 20 0 DGADLP C[C@]1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CCC[NH2+]C1 ZINC000414905419 433909354 /nfs/dbraw/zinc/90/93/54/433909354.db2.gz OQVDMPMSFPDDOO-KRWDZBQOSA-N 2 2 319.449 3.429 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414901484 433909873 /nfs/dbraw/zinc/90/98/73/433909873.db2.gz XCJIXKXIPUINSP-QZTJIDSGSA-N 2 2 302.368 3.200 20 0 DGADLP Cc1cc(NC(=O)c2sccc2C[NH+](C)C)cn2cc[nH+]c12 ZINC000293881604 433910745 /nfs/dbraw/zinc/91/07/45/433910745.db2.gz KZJHUKNEAFGRTE-UHFFFAOYSA-N 2 2 314.414 3.018 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000414929682 433922664 /nfs/dbraw/zinc/92/26/64/433922664.db2.gz OXJHJDJYWQFKMW-KRWDZBQOSA-N 2 2 312.461 3.253 20 0 DGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296040 433929316 /nfs/dbraw/zinc/92/93/16/433929316.db2.gz QRORFDPPPDYUSY-AEFFLSMTSA-N 2 2 323.525 3.020 20 0 DGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436296040 433929326 /nfs/dbraw/zinc/92/93/26/433929326.db2.gz QRORFDPPPDYUSY-AEFFLSMTSA-N 2 2 323.525 3.020 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c3ccccc23)cn1 ZINC000362958570 433930239 /nfs/dbraw/zinc/93/02/39/433930239.db2.gz SANRYOARKIGCMW-UHFFFAOYSA-N 2 2 315.380 3.158 20 0 DGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)C[NH3+] ZINC000414945027 433932575 /nfs/dbraw/zinc/93/25/75/433932575.db2.gz PLZMMXVNXRFHLC-INIZCTEOSA-N 2 2 320.440 3.285 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3cccs3)o2)C[C@@H]1C[NH3+] ZINC000422640007 433933304 /nfs/dbraw/zinc/93/33/04/433933304.db2.gz UJTOVLQPNFSITR-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@@H]1C[NH3+] ZINC000422640007 433933311 /nfs/dbraw/zinc/93/33/11/433933311.db2.gz UJTOVLQPNFSITR-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP CC[C@@H](C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC)[NH+](CC)CC ZINC000435998423 433881711 /nfs/dbraw/zinc/88/17/11/433881711.db2.gz VWROQZYXQRLSPW-HOTGVXAUSA-N 2 2 320.481 3.077 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)nc2c1 ZINC000422711469 433945121 /nfs/dbraw/zinc/94/51/21/433945121.db2.gz GZSXXZCDLKNZGZ-MJGOQNOKSA-N 2 2 320.440 3.226 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)nc2c1 ZINC000422712604 433945421 /nfs/dbraw/zinc/94/54/21/433945421.db2.gz IPAAJOFRDQMOQT-HZPDHXFCSA-N 2 2 300.450 3.043 20 0 DGADLP CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422713943 433945570 /nfs/dbraw/zinc/94/55/70/433945570.db2.gz QFYAKDBAJZDJET-CMPLNLGQSA-N 2 2 304.463 3.279 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422713476 433946489 /nfs/dbraw/zinc/94/64/89/433946489.db2.gz JTNQHXDNGQYWLA-YCPHGPKFSA-N 2 2 308.491 3.216 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414974644 433950653 /nfs/dbraw/zinc/95/06/53/433950653.db2.gz NUABZSMQAAWCDQ-OAHLLOKOSA-N 2 2 301.459 3.288 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414977334 433952476 /nfs/dbraw/zinc/95/24/76/433952476.db2.gz RHKCVHAJSLDJBM-CYBMUJFWSA-N 2 2 317.260 3.480 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422732705 433953602 /nfs/dbraw/zinc/95/36/02/433953602.db2.gz QESBJVPFLPIQFN-NCXUSEDFSA-N 3 2 307.526 3.151 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422732705 433953612 /nfs/dbraw/zinc/95/36/12/433953612.db2.gz QESBJVPFLPIQFN-NCXUSEDFSA-N 3 2 307.526 3.151 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000422729573 433954012 /nfs/dbraw/zinc/95/40/12/433954012.db2.gz CAJITPFIEGXEBQ-BWPNAZKDSA-N 3 2 317.521 3.045 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422732701 433957751 /nfs/dbraw/zinc/95/77/51/433957751.db2.gz QESBJVPFLPIQFN-AKHDSKFASA-N 3 2 307.526 3.151 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422732701 433957759 /nfs/dbraw/zinc/95/77/59/433957759.db2.gz QESBJVPFLPIQFN-AKHDSKFASA-N 3 2 307.526 3.151 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340173334 433957956 /nfs/dbraw/zinc/95/79/56/433957956.db2.gz GDZOTIBGWIQSGQ-CVEARBPZSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340173334 433957962 /nfs/dbraw/zinc/95/79/62/433957962.db2.gz GDZOTIBGWIQSGQ-CVEARBPZSA-N 2 2 301.459 3.377 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739045 433963186 /nfs/dbraw/zinc/96/31/86/433963186.db2.gz ZUMALIIZPCESTI-VQIMIIECSA-N 3 2 317.521 3.176 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739045 433963196 /nfs/dbraw/zinc/96/31/96/433963196.db2.gz ZUMALIIZPCESTI-VQIMIIECSA-N 3 2 317.521 3.176 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC3CC[NH2+]CC3)c2)[nH+]c1C ZINC000378212645 293763957 /nfs/dbraw/zinc/76/39/57/293763957.db2.gz WFNFCVSZQFLBQY-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000294018738 433964645 /nfs/dbraw/zinc/96/46/45/433964645.db2.gz NLAGJPFFVCVUJF-OALUTQOASA-N 2 2 309.413 3.016 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000294018738 433964653 /nfs/dbraw/zinc/96/46/53/433964653.db2.gz NLAGJPFFVCVUJF-OALUTQOASA-N 2 2 309.413 3.016 20 0 DGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422743571 433965203 /nfs/dbraw/zinc/96/52/03/433965203.db2.gz RTYBENGYLFAZCP-MELADBBJSA-N 2 2 307.507 3.451 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422740714 433968300 /nfs/dbraw/zinc/96/83/00/433968300.db2.gz CIUHWLKZNYVUCF-HOTGVXAUSA-N 3 2 324.472 3.370 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743667 433968659 /nfs/dbraw/zinc/96/86/59/433968659.db2.gz IWGNLPDKJNGVAB-UWVAXJGDSA-N 3 2 315.505 3.190 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191400 433974246 /nfs/dbraw/zinc/97/42/46/433974246.db2.gz OGIFORMUVVMSHR-RLLQIKCJSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C[NH+]1CCCC1 ZINC000340191400 433974254 /nfs/dbraw/zinc/97/42/54/433974254.db2.gz OGIFORMUVVMSHR-RLLQIKCJSA-N 3 2 315.505 3.143 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377731295 433974959 /nfs/dbraw/zinc/97/49/59/433974959.db2.gz CVZFSWJUYLLXJU-LJQANCHMSA-N 2 2 313.445 3.021 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377731295 433974966 /nfs/dbraw/zinc/97/49/66/433974966.db2.gz CVZFSWJUYLLXJU-LJQANCHMSA-N 2 2 313.445 3.021 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422759676 433975130 /nfs/dbraw/zinc/97/51/30/433975130.db2.gz FYDYTDNBFBKMFA-YZGWKJHDSA-N 3 2 315.505 3.334 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422759676 433975144 /nfs/dbraw/zinc/97/51/44/433975144.db2.gz FYDYTDNBFBKMFA-YZGWKJHDSA-N 3 2 315.505 3.334 20 0 DGADLP COc1ccc([C@H]([NH2+]CCc2cccs2)[C@H]2CCC[NH2+]2)cc1 ZINC000422753938 433975945 /nfs/dbraw/zinc/97/59/45/433975945.db2.gz JBGXWWWSUXCDCL-MSOLQXFVSA-N 2 2 316.470 3.382 20 0 DGADLP Cc1cccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)[nH+]1 ZINC000422755347 433977569 /nfs/dbraw/zinc/97/75/69/433977569.db2.gz GTGGOVPGSHFISV-MOPGFXCFSA-N 3 2 322.456 3.093 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000415130651 433978993 /nfs/dbraw/zinc/97/89/93/433978993.db2.gz RDVUANYQGIISCQ-RYUDHWBXSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000415130651 433979002 /nfs/dbraw/zinc/97/90/02/433979002.db2.gz RDVUANYQGIISCQ-RYUDHWBXSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422700322 433939931 /nfs/dbraw/zinc/93/99/31/433939931.db2.gz GMTGERDCAAMJMG-CVEARBPZSA-N 3 2 314.477 3.396 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340236788 434005585 /nfs/dbraw/zinc/00/55/85/434005585.db2.gz QQIXJLZKFSOYQE-DOTOQJQBSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340236788 434005594 /nfs/dbraw/zinc/00/55/94/434005594.db2.gz QQIXJLZKFSOYQE-DOTOQJQBSA-N 2 2 301.459 3.377 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422788855 434005664 /nfs/dbraw/zinc/00/56/64/434005664.db2.gz NSBFLHSCPFIQRO-PXNSSMCTSA-N 3 2 315.505 3.293 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833884 434007966 /nfs/dbraw/zinc/00/79/66/434007966.db2.gz HLUCULHMYUAUQY-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833884 434007972 /nfs/dbraw/zinc/00/79/72/434007972.db2.gz HLUCULHMYUAUQY-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833884 434007977 /nfs/dbraw/zinc/00/79/77/434007977.db2.gz HLUCULHMYUAUQY-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ncc(C(C)(C)C)s2)C1 ZINC000377833884 434007984 /nfs/dbraw/zinc/00/79/84/434007984.db2.gz HLUCULHMYUAUQY-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422799126 434008249 /nfs/dbraw/zinc/00/82/49/434008249.db2.gz VIGWMCPEWMLDHL-JTQLQIEISA-N 2 2 311.307 3.244 20 0 DGADLP CCCn1c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nc2ccccc21 ZINC000377826438 434009911 /nfs/dbraw/zinc/00/99/11/434009911.db2.gz MPHBOROAAWIJQM-OAHLLOKOSA-N 2 2 323.444 3.169 20 0 DGADLP CCCn1c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nc2ccccc21 ZINC000377826438 434009920 /nfs/dbraw/zinc/00/99/20/434009920.db2.gz MPHBOROAAWIJQM-OAHLLOKOSA-N 2 2 323.444 3.169 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)c1 ZINC000390501840 293822640 /nfs/dbraw/zinc/82/26/40/293822640.db2.gz OKYBVXWEIRUWSY-UHFFFAOYSA-N 2 2 315.505 3.429 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422799194 434011769 /nfs/dbraw/zinc/01/17/69/434011769.db2.gz VOTMDXNYIRVOJG-KBPBESRZSA-N 2 2 302.340 3.205 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246954 434012336 /nfs/dbraw/zinc/01/23/36/434012336.db2.gz ZGCWLPHYEDSKME-UFYCRDLUSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246954 434012345 /nfs/dbraw/zinc/01/23/45/434012345.db2.gz ZGCWLPHYEDSKME-UFYCRDLUSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841087 434014444 /nfs/dbraw/zinc/01/44/44/434014444.db2.gz YPMZCUVRDQSURY-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841087 434014452 /nfs/dbraw/zinc/01/44/52/434014452.db2.gz YPMZCUVRDQSURY-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841087 434014464 /nfs/dbraw/zinc/01/44/64/434014464.db2.gz YPMZCUVRDQSURY-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841087 434014474 /nfs/dbraw/zinc/01/44/74/434014474.db2.gz YPMZCUVRDQSURY-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000340258614 434020134 /nfs/dbraw/zinc/02/01/34/434020134.db2.gz MNEQONATKQIONS-BTHPGYMESA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000340258614 434020143 /nfs/dbraw/zinc/02/01/43/434020143.db2.gz MNEQONATKQIONS-BTHPGYMESA-N 2 2 316.489 3.180 20 0 DGADLP COCc1cc(N(C)CC[N@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000357445913 434023281 /nfs/dbraw/zinc/02/32/81/434023281.db2.gz WLQYXUFKTSFMCC-UHFFFAOYSA-N 2 2 317.408 3.051 20 0 DGADLP COCc1cc(N(C)CC[N@@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000357445913 434023292 /nfs/dbraw/zinc/02/32/92/434023292.db2.gz WLQYXUFKTSFMCC-UHFFFAOYSA-N 2 2 317.408 3.051 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422826836 434028802 /nfs/dbraw/zinc/02/88/02/434028802.db2.gz CVIQLWVLPKUFPH-UFYCRDLUSA-N 3 2 317.521 3.047 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000422824053 434029129 /nfs/dbraw/zinc/02/91/29/434029129.db2.gz GCIFRFZAFLKURQ-IEBWSBKVSA-N 3 2 303.494 3.239 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000377886718 434029978 /nfs/dbraw/zinc/02/99/78/434029978.db2.gz AGRYBYXJFFCYFM-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000377886718 434029986 /nfs/dbraw/zinc/02/99/86/434029986.db2.gz AGRYBYXJFFCYFM-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422826834 434030215 /nfs/dbraw/zinc/03/02/15/434030215.db2.gz CVIQLWVLPKUFPH-HSALFYBXSA-N 3 2 317.521 3.047 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000285675285 434035780 /nfs/dbraw/zinc/03/57/80/434035780.db2.gz UMEMMIOYMOZKBG-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000285675285 434035789 /nfs/dbraw/zinc/03/57/89/434035789.db2.gz UMEMMIOYMOZKBG-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)cc1 ZINC000285675285 434035797 /nfs/dbraw/zinc/03/57/97/434035797.db2.gz UMEMMIOYMOZKBG-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)cc1 ZINC000285675285 434035806 /nfs/dbraw/zinc/03/58/06/434035806.db2.gz UMEMMIOYMOZKBG-HXUWFJFHSA-N 2 2 307.441 3.180 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422834164 434042319 /nfs/dbraw/zinc/04/23/19/434042319.db2.gz WWCIARFLCLHSKY-CYBMUJFWSA-N 2 2 315.417 3.142 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000340291669 434043416 /nfs/dbraw/zinc/04/34/16/434043416.db2.gz SJJRTOOWHWOANA-LJQANCHMSA-N 3 2 309.542 3.303 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000340291669 434043422 /nfs/dbraw/zinc/04/34/22/434043422.db2.gz SJJRTOOWHWOANA-LJQANCHMSA-N 3 2 309.542 3.303 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840927 434045853 /nfs/dbraw/zinc/04/58/53/434045853.db2.gz UVDJEUDRDIHFOA-LMCOJAPRSA-N 3 2 315.505 3.160 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840927 434045869 /nfs/dbraw/zinc/04/58/69/434045869.db2.gz UVDJEUDRDIHFOA-LMCOJAPRSA-N 3 2 315.505 3.160 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787525 433996723 /nfs/dbraw/zinc/99/67/23/433996723.db2.gz RLATZWDHAOILJQ-VBHSOAQHSA-N 2 2 316.424 3.111 20 0 DGADLP Cc1ccc(SCC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352245091 434001311 /nfs/dbraw/zinc/00/13/11/434001311.db2.gz CEUXREVPOAZGPS-UHFFFAOYSA-N 2 2 321.515 3.395 20 0 DGADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422863731 434060923 /nfs/dbraw/zinc/06/09/23/434060923.db2.gz LSZRVNKVAUDWSA-MSOLQXFVSA-N 2 2 320.477 3.031 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422860026 434061073 /nfs/dbraw/zinc/06/10/73/434061073.db2.gz KYIIZXZNYXFBAF-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422860026 434061079 /nfs/dbraw/zinc/06/10/79/434061079.db2.gz KYIIZXZNYXFBAF-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP Fc1ccc(/C=C/CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000353124609 434064228 /nfs/dbraw/zinc/06/42/28/434064228.db2.gz ZBMFTZRPRQLEQG-OWOJBTEDSA-N 2 2 308.360 3.591 20 0 DGADLP CC[C@@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422871341 434064248 /nfs/dbraw/zinc/06/42/48/434064248.db2.gz ZWDSABGICYLOKQ-MNOVXSKESA-N 2 2 303.269 3.131 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000422870610 434066475 /nfs/dbraw/zinc/06/64/75/434066475.db2.gz ZATFBCMNAFHMBX-LAUBAEHRSA-N 2 2 324.468 3.491 20 0 DGADLP Cc1cc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccnc2)ccc1F ZINC000423205639 293915917 /nfs/dbraw/zinc/91/59/17/293915917.db2.gz FHOZXNOBYRLPFN-DNVCBOLYSA-N 2 2 313.420 3.208 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000422908082 434100613 /nfs/dbraw/zinc/10/06/13/434100613.db2.gz XZHXKQDPPGOJFH-SJORKVTESA-N 3 2 316.424 3.069 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000340356589 434085145 /nfs/dbraw/zinc/08/51/45/434085145.db2.gz QBTNQLSMWKIZDF-ROUUACIJSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCOC1(C)C)C1CC1 ZINC000340356589 434085154 /nfs/dbraw/zinc/08/51/54/434085154.db2.gz QBTNQLSMWKIZDF-ROUUACIJSA-N 2 2 302.462 3.054 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422886934 434087066 /nfs/dbraw/zinc/08/70/66/434087066.db2.gz AARFDGCELSZKGR-YCPHGPKFSA-N 2 2 306.450 3.275 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422892070 434087570 /nfs/dbraw/zinc/08/75/70/434087570.db2.gz LYUPUKXPMKOJDE-QAPCUYQASA-N 2 2 321.424 3.390 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000340366650 434089024 /nfs/dbraw/zinc/08/90/24/434089024.db2.gz QRUBQWZWNIISME-LULLPPNCSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000340366650 434089032 /nfs/dbraw/zinc/08/90/32/434089032.db2.gz QRUBQWZWNIISME-LULLPPNCSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccc(CCCN2CC[NH+](C3CCCCC3)CC2)c[nH+]1 ZINC000353376537 434092047 /nfs/dbraw/zinc/09/20/47/434092047.db2.gz BZSBIYHBWWRHIR-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422901696 434094845 /nfs/dbraw/zinc/09/48/45/434094845.db2.gz LPILPYJSYHMAIH-CXAGYDPISA-N 2 2 315.392 3.101 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc21 ZINC000422902229 434095092 /nfs/dbraw/zinc/09/50/92/434095092.db2.gz UGTNARNYICSABH-OALUTQOASA-N 2 2 322.456 3.306 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)CCCC2)c1 ZINC000422905086 434095699 /nfs/dbraw/zinc/09/56/99/434095699.db2.gz HPUIOOOWXCXVEH-PKOBYXMFSA-N 2 2 316.489 3.163 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422901698 434096320 /nfs/dbraw/zinc/09/63/20/434096320.db2.gz LPILPYJSYHMAIH-GUYCJALGSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000422903053 434098046 /nfs/dbraw/zinc/09/80/46/434098046.db2.gz NXBOQGDJBXMUEQ-TYNCELHUSA-N 2 2 316.367 3.419 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C[C@H]1c1ccccc1 ZINC000340305328 434048535 /nfs/dbraw/zinc/04/85/35/434048535.db2.gz HGHDRXCTOUQOMA-KSZLIROESA-N 2 2 310.445 3.212 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C[C@H]1c1ccccc1 ZINC000340305328 434048547 /nfs/dbraw/zinc/04/85/47/434048547.db2.gz HGHDRXCTOUQOMA-KSZLIROESA-N 2 2 310.445 3.212 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340303816 434049563 /nfs/dbraw/zinc/04/95/63/434049563.db2.gz WHOLADLHQNDNJH-CVEARBPZSA-N 2 2 302.462 3.325 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422854847 434054126 /nfs/dbraw/zinc/05/41/26/434054126.db2.gz DFAOBOYPLUGKHH-SUMWQHHRSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000422854846 434056189 /nfs/dbraw/zinc/05/61/89/434056189.db2.gz DFAOBOYPLUGKHH-GUYCJALGSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422854914 434057007 /nfs/dbraw/zinc/05/70/07/434057007.db2.gz URUZOJWEGPIMJH-UONOGXRCSA-N 2 2 303.475 3.144 20 0 DGADLP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397821 434105732 /nfs/dbraw/zinc/10/57/32/434105732.db2.gz VYNXEMOSPPHEKC-YLJYHZDGSA-N 2 2 324.472 3.073 20 0 DGADLP Cc1cccn2cc(-c3ccc(N[C@@H](C)C4C[NH2+]C4)cc3)[nH+]c12 ZINC000422917603 434108971 /nfs/dbraw/zinc/10/89/71/434108971.db2.gz GOFLLMLMDOOBED-AWEZNQCLSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1F)C[NH+](C)C ZINC000310756602 434113313 /nfs/dbraw/zinc/11/33/13/434113313.db2.gz ABHBTEWEPYTACR-QWRGUYRKSA-N 2 2 317.246 3.437 20 0 DGADLP CC[C@@H]([NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422937457 434124017 /nfs/dbraw/zinc/12/40/17/434124017.db2.gz GMXYNNMTDCXHGD-PMPSAXMXSA-N 2 2 304.434 3.029 20 0 DGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427898520 294113324 /nfs/dbraw/zinc/11/33/24/294113324.db2.gz TUGNCJZEGMJRHW-WFASDCNBSA-N 2 2 317.820 3.355 20 0 DGADLP C[N@@H+](Cc1conc1Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000507366739 294295776 /nfs/dbraw/zinc/29/57/76/294295776.db2.gz INWJJWTXMIKCQY-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP C[N@H+](Cc1conc1Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000507366739 294295781 /nfs/dbraw/zinc/29/57/81/294295781.db2.gz INWJJWTXMIKCQY-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP C[NH+](Cc1conc1Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000507366739 294295784 /nfs/dbraw/zinc/29/57/84/294295784.db2.gz INWJJWTXMIKCQY-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP C[NH+](Cc1conc1Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000507366739 294295787 /nfs/dbraw/zinc/29/57/87/294295787.db2.gz INWJJWTXMIKCQY-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508860432 294334221 /nfs/dbraw/zinc/33/42/21/294334221.db2.gz ODGVBNFJOIISMN-AWEZNQCLSA-N 2 2 308.853 3.209 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508860432 294334223 /nfs/dbraw/zinc/33/42/23/294334223.db2.gz ODGVBNFJOIISMN-AWEZNQCLSA-N 2 2 308.853 3.209 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000508860432 294334224 /nfs/dbraw/zinc/33/42/24/294334224.db2.gz ODGVBNFJOIISMN-AWEZNQCLSA-N 2 2 308.853 3.209 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000508860432 294334225 /nfs/dbraw/zinc/33/42/25/294334225.db2.gz ODGVBNFJOIISMN-AWEZNQCLSA-N 2 2 308.853 3.209 20 0 DGADLP CC(C)[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509265421 294345006 /nfs/dbraw/zinc/34/50/06/294345006.db2.gz VOACKSQFXIMKDR-HXUWFJFHSA-N 2 2 315.505 3.319 20 0 DGADLP CC(C)[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509265421 294345011 /nfs/dbraw/zinc/34/50/11/294345011.db2.gz VOACKSQFXIMKDR-HXUWFJFHSA-N 2 2 315.505 3.319 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCSCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423011959 434165427 /nfs/dbraw/zinc/16/54/27/434165427.db2.gz JSWBPULALMPXKU-ZWKOTPCHSA-N 2 2 322.518 3.467 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000510650510 294388451 /nfs/dbraw/zinc/38/84/51/294388451.db2.gz JXMCZWMJZYLMNY-VFVRVIDISA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000510650510 294388458 /nfs/dbraw/zinc/38/84/58/294388458.db2.gz JXMCZWMJZYLMNY-VFVRVIDISA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447719 434135932 /nfs/dbraw/zinc/13/59/32/434135932.db2.gz FBMHBTAVPSHGDX-MPGHIAIKSA-N 2 2 311.429 3.273 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447719 434135942 /nfs/dbraw/zinc/13/59/42/434135942.db2.gz FBMHBTAVPSHGDX-MPGHIAIKSA-N 2 2 311.429 3.273 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000314637532 434144230 /nfs/dbraw/zinc/14/42/30/434144230.db2.gz FZZPPNAXIWLYBF-IBGZPJMESA-N 2 2 314.477 3.025 20 0 DGADLP CC1CCC([NH+]2CCN(Cc3c[nH+]c4ccccn34)CC2)CC1 ZINC000353461832 434151971 /nfs/dbraw/zinc/15/19/71/434151971.db2.gz HDGRJGHUFQXOID-UHFFFAOYSA-N 2 2 312.461 3.031 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946767 434152340 /nfs/dbraw/zinc/15/23/40/434152340.db2.gz SWHRZAIWJAKZOQ-BBRMVZONSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946767 434152346 /nfs/dbraw/zinc/15/23/46/434152346.db2.gz SWHRZAIWJAKZOQ-BBRMVZONSA-N 2 2 319.499 3.432 20 0 DGADLP CC[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)NC(=O)OC(C)(C)C ZINC000295057261 434168694 /nfs/dbraw/zinc/16/86/94/434168694.db2.gz NYZNSOOKIDSBNS-INIZCTEOSA-N 2 2 321.465 3.216 20 0 DGADLP Fc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)c1 ZINC000423031225 434179371 /nfs/dbraw/zinc/17/93/71/434179371.db2.gz WWFPCAHNGWKPNA-SUTQANCOSA-N 2 2 311.404 3.183 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000378439807 434180070 /nfs/dbraw/zinc/18/00/70/434180070.db2.gz VHIZHDAFBNYONA-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000378439807 434180084 /nfs/dbraw/zinc/18/00/84/434180084.db2.gz VHIZHDAFBNYONA-GOSISDBHSA-N 2 2 320.440 3.041 20 0 DGADLP CCCC[C@@H](COC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000513208745 294465673 /nfs/dbraw/zinc/46/56/73/294465673.db2.gz YEHFGARSZOAZGB-AWEZNQCLSA-N 2 2 310.404 3.198 20 0 DGADLP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439690 434181314 /nfs/dbraw/zinc/18/13/14/434181314.db2.gz SZHOXCGOMVETLG-QUCCMNQESA-N 2 2 321.424 3.422 20 0 DGADLP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000378439690 434181324 /nfs/dbraw/zinc/18/13/24/434181324.db2.gz SZHOXCGOMVETLG-QUCCMNQESA-N 2 2 321.424 3.422 20 0 DGADLP COc1ccccc1[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC(C)C ZINC000423046366 434186145 /nfs/dbraw/zinc/18/61/45/434186145.db2.gz DJXFCQXYZZGRMX-SZVBFZGTSA-N 2 2 320.477 3.282 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)[C@H]1CCCC[NH2+]1 ZINC000423049246 434186425 /nfs/dbraw/zinc/18/64/25/434186425.db2.gz JSHMVTFFSCYMDZ-YESZJQIVSA-N 2 2 304.434 3.029 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000316879288 434192385 /nfs/dbraw/zinc/19/23/85/434192385.db2.gz QYNGATRCACQPNW-UKRRQHHQSA-N 2 2 324.852 3.061 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000316879288 434192395 /nfs/dbraw/zinc/19/23/95/434192395.db2.gz QYNGATRCACQPNW-UKRRQHHQSA-N 2 2 324.852 3.061 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000316906516 434197301 /nfs/dbraw/zinc/19/73/01/434197301.db2.gz AFCZTZBMPDBWAQ-MRXNPFEDSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000316906516 434197306 /nfs/dbraw/zinc/19/73/06/434197306.db2.gz AFCZTZBMPDBWAQ-MRXNPFEDSA-N 2 2 305.397 3.286 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423060104 434198094 /nfs/dbraw/zinc/19/80/94/434198094.db2.gz NOZBWLKMQRHBQH-LPEHRKFASA-N 2 2 303.269 3.302 20 0 DGADLP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000295099919 434198894 /nfs/dbraw/zinc/19/88/94/434198894.db2.gz VVUQXRZPQQTMNA-INIZCTEOSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423060102 434199402 /nfs/dbraw/zinc/19/94/02/434199402.db2.gz NOZBWLKMQRHBQH-IVZWLZJFSA-N 2 2 303.269 3.302 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1cc(Cl)ccc1Cl ZINC000423060165 434199720 /nfs/dbraw/zinc/19/97/20/434199720.db2.gz HJHALEALYRLAFJ-LOWVWBTDSA-N 2 2 317.260 3.411 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423066404 434204720 /nfs/dbraw/zinc/20/47/20/434204720.db2.gz WVPSRRYHJNRSTI-VAMGGRTRSA-N 3 2 315.505 3.147 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423066404 434204728 /nfs/dbraw/zinc/20/47/28/434204728.db2.gz WVPSRRYHJNRSTI-VAMGGRTRSA-N 3 2 315.505 3.147 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2(SC)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080622 434206770 /nfs/dbraw/zinc/20/67/70/434206770.db2.gz BXWJEJWQIUKTMU-IAGOWNOFSA-N 2 2 320.502 3.364 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000437076791 434209638 /nfs/dbraw/zinc/20/96/38/434209638.db2.gz POHUPZKEIODCQW-CRAIPNDOSA-N 2 2 301.478 3.104 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000437076791 434209645 /nfs/dbraw/zinc/20/96/45/434209645.db2.gz POHUPZKEIODCQW-CRAIPNDOSA-N 2 2 301.478 3.104 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C2CC2)c1 ZINC000437080434 434211342 /nfs/dbraw/zinc/21/13/42/434211342.db2.gz ZMSVSVNCMAOQKM-SFHVURJKSA-N 2 2 302.462 3.090 20 0 DGADLP Cn1c2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2[nH+]c1C1CC1 ZINC000340571350 434214337 /nfs/dbraw/zinc/21/43/37/434214337.db2.gz QYKKXONZOZNLLL-UHFFFAOYSA-N 2 2 304.357 3.466 20 0 DGADLP CC[NH+]1CCC([NH2+]C[C@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000295125769 434215585 /nfs/dbraw/zinc/21/55/85/434215585.db2.gz ZEXKXRBTLLODFY-GOSISDBHSA-N 2 2 321.534 3.085 20 0 DGADLP CO[C@@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353547747 434216695 /nfs/dbraw/zinc/21/66/95/434216695.db2.gz ZNNYMWLVHZDEGY-IBGZPJMESA-N 2 2 316.445 3.421 20 0 DGADLP CO[C@@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353547747 434216707 /nfs/dbraw/zinc/21/67/07/434216707.db2.gz ZNNYMWLVHZDEGY-IBGZPJMESA-N 2 2 316.445 3.421 20 0 DGADLP CO[C@@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000353547747 434216721 /nfs/dbraw/zinc/21/67/21/434216721.db2.gz ZNNYMWLVHZDEGY-IBGZPJMESA-N 2 2 316.445 3.421 20 0 DGADLP CO[C@@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000353547747 434216732 /nfs/dbraw/zinc/21/67/32/434216732.db2.gz ZNNYMWLVHZDEGY-IBGZPJMESA-N 2 2 316.445 3.421 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423104377 434217932 /nfs/dbraw/zinc/21/79/32/434217932.db2.gz MAFMGIPXAMRNBT-YOEHRIQHSA-N 2 2 300.450 3.006 20 0 DGADLP c1n[nH]c2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc12 ZINC000423098191 434217989 /nfs/dbraw/zinc/21/79/89/434217989.db2.gz CMJSNMFFGYJELS-OKZBNKHCSA-N 2 2 312.461 3.006 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000346229273 434218307 /nfs/dbraw/zinc/21/83/07/434218307.db2.gz LTOCIMYHPJAEIG-VQIMIIECSA-N 2 2 311.429 3.264 20 0 DGADLP CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286104688 434168237 /nfs/dbraw/zinc/16/82/37/434168237.db2.gz LEYCWERNSDFVJI-HUUCEWRRSA-N 2 2 302.447 3.031 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423196365 434275939 /nfs/dbraw/zinc/27/59/39/434275939.db2.gz ZSEXDXZOAUUGCW-ZANVPECISA-N 2 2 317.658 3.333 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423138073 434242812 /nfs/dbraw/zinc/24/28/12/434242812.db2.gz RZCMRVXIWOSZHP-GWCFXTLKSA-N 2 2 302.340 3.047 20 0 DGADLP CC(C)N(C)c1ccc(CN2CC[N@H+](C)Cc3ccccc32)c[nH+]1 ZINC000353586505 434251748 /nfs/dbraw/zinc/25/17/48/434251748.db2.gz CVEPGNSOBMBJOI-UHFFFAOYSA-N 2 2 324.472 3.378 20 0 DGADLP CC(C)N(C)c1ccc(CN2CC[N@@H+](C)Cc3ccccc32)c[nH+]1 ZINC000353586505 434251754 /nfs/dbraw/zinc/25/17/54/434251754.db2.gz CVEPGNSOBMBJOI-UHFFFAOYSA-N 2 2 324.472 3.378 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(O)CCC(C)CC2)n1-c1ccccc1 ZINC000321915771 434255504 /nfs/dbraw/zinc/25/55/04/434255504.db2.gz HXUPZDYFRAWHKN-UHFFFAOYSA-N 2 2 313.445 3.212 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346700300 434258713 /nfs/dbraw/zinc/25/87/13/434258713.db2.gz GJQHENZAOAEFIV-QFHJOOASSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346700300 434258724 /nfs/dbraw/zinc/25/87/24/434258724.db2.gz GJQHENZAOAEFIV-QFHJOOASSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c2nccn21 ZINC000295221787 434262326 /nfs/dbraw/zinc/26/23/26/434262326.db2.gz MWRTUIVPWAUONN-SWLSCSKDSA-N 2 2 311.364 3.004 20 0 DGADLP C[C@H](c1ccccc1F)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000340640102 434263826 /nfs/dbraw/zinc/26/38/26/434263826.db2.gz XWPNFMYNJCUFCX-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H](c1ccccc1F)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000340640102 434263836 /nfs/dbraw/zinc/26/38/36/434263836.db2.gz XWPNFMYNJCUFCX-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423181265 434268535 /nfs/dbraw/zinc/26/85/35/434268535.db2.gz JMMHHYTVABVGRJ-SSDOTTSWSA-N 2 2 311.145 3.077 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423190004 434271770 /nfs/dbraw/zinc/27/17/70/434271770.db2.gz NCWUWKCLESDKIN-DGCLKSJQSA-N 2 2 302.340 3.030 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000295142571 434224110 /nfs/dbraw/zinc/22/41/10/434224110.db2.gz IXPJPMWXAIPESG-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000295142571 434224121 /nfs/dbraw/zinc/22/41/21/434224121.db2.gz IXPJPMWXAIPESG-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc(N2CCCC2)n1 ZINC000423119509 434230065 /nfs/dbraw/zinc/23/00/65/434230065.db2.gz CRICNEFEAVHGJS-RTBURBONSA-N 2 2 322.456 3.225 20 0 DGADLP C[NH+](CCC[N@H+](C)CCCC1CCOCC1)Cc1ccco1 ZINC000353566217 434235020 /nfs/dbraw/zinc/23/50/20/434235020.db2.gz FFDLSZIXMJNPJZ-UHFFFAOYSA-N 2 2 308.466 3.240 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCCC1CCOCC1)Cc1ccco1 ZINC000353566217 434235030 /nfs/dbraw/zinc/23/50/30/434235030.db2.gz FFDLSZIXMJNPJZ-UHFFFAOYSA-N 2 2 308.466 3.240 20 0 DGADLP C[NH+](CCCC1CCOCC1)CCC[N@H+](C)Cc1ccco1 ZINC000353566217 434235039 /nfs/dbraw/zinc/23/50/39/434235039.db2.gz FFDLSZIXMJNPJZ-UHFFFAOYSA-N 2 2 308.466 3.240 20 0 DGADLP C[NH+](CCCC1CCOCC1)CCC[N@@H+](C)Cc1ccco1 ZINC000353566217 434235049 /nfs/dbraw/zinc/23/50/49/434235049.db2.gz FFDLSZIXMJNPJZ-UHFFFAOYSA-N 2 2 308.466 3.240 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423127680 434238621 /nfs/dbraw/zinc/23/86/21/434238621.db2.gz CIKNGJVVSDXKKK-STQMWFEESA-N 2 2 302.340 3.047 20 0 DGADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+](C)C)cc1 ZINC000423130815 434239010 /nfs/dbraw/zinc/23/90/10/434239010.db2.gz SEHSGZZDLBQVKJ-QFBILLFUSA-N 3 2 305.510 3.205 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cnn1-c1cccc(Cl)c1 ZINC000423278928 434333130 /nfs/dbraw/zinc/33/31/30/434333130.db2.gz RLIAAKINAANCGI-SJCJKPOMSA-N 2 2 320.868 3.468 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+][C@H]2CCC[NH2+]C2)cc1OCC ZINC000423197270 434281573 /nfs/dbraw/zinc/28/15/73/434281573.db2.gz YRRZIBXFWFRFIA-HOTGVXAUSA-N 2 2 306.450 3.277 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358007786 434282011 /nfs/dbraw/zinc/28/20/11/434282011.db2.gz RROJFMUSYKENOB-FRQCXROJSA-N 2 2 304.478 3.082 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358007786 434282020 /nfs/dbraw/zinc/28/20/20/434282020.db2.gz RROJFMUSYKENOB-FRQCXROJSA-N 2 2 304.478 3.082 20 0 DGADLP [NH3+]C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1c1ccccc1 ZINC000328308270 434284350 /nfs/dbraw/zinc/28/43/50/434284350.db2.gz ZLANIGOIAFVBOS-HIFRSBDPSA-N 2 2 321.346 3.279 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2c(Cl)cccc12 ZINC000450594876 434286049 /nfs/dbraw/zinc/28/60/49/434286049.db2.gz LLOUTDFXBMWYII-CYBMUJFWSA-N 2 2 319.836 3.147 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2c(Cl)cccc12 ZINC000450594876 434286058 /nfs/dbraw/zinc/28/60/58/434286058.db2.gz LLOUTDFXBMWYII-CYBMUJFWSA-N 2 2 319.836 3.147 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000358010450 434286374 /nfs/dbraw/zinc/28/63/74/434286374.db2.gz XPYCTOVBEXUQFN-QZTJIDSGSA-N 2 2 304.503 3.164 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000358010450 434286383 /nfs/dbraw/zinc/28/63/83/434286383.db2.gz XPYCTOVBEXUQFN-QZTJIDSGSA-N 2 2 304.503 3.164 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc[nH+]1 ZINC000353630220 434287863 /nfs/dbraw/zinc/28/78/63/434287863.db2.gz IQIYLBRCXRCYDR-UHFFFAOYSA-N 2 2 324.472 3.405 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000353631049 434288738 /nfs/dbraw/zinc/28/87/38/434288738.db2.gz ZIAFKSLJMMHEGB-LJQANCHMSA-N 3 2 301.478 3.130 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000353631049 434288747 /nfs/dbraw/zinc/28/87/47/434288747.db2.gz ZIAFKSLJMMHEGB-LJQANCHMSA-N 3 2 301.478 3.130 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000286687790 434290349 /nfs/dbraw/zinc/29/03/49/434290349.db2.gz BIJVVHBJFWBFTP-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000286687790 434290357 /nfs/dbraw/zinc/29/03/57/434290357.db2.gz BIJVVHBJFWBFTP-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)s1 ZINC000328643591 434291015 /nfs/dbraw/zinc/29/10/15/434291015.db2.gz RMEFHKZKJRANFM-AWEZNQCLSA-N 2 2 321.515 3.433 20 0 DGADLP Cc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)s1 ZINC000328643591 434291026 /nfs/dbraw/zinc/29/10/26/434291026.db2.gz RMEFHKZKJRANFM-AWEZNQCLSA-N 2 2 321.515 3.433 20 0 DGADLP C[N@H+](Cc1cc(Br)c(Cl)s1)C1CC([NH3+])C1 ZINC000384718719 434293571 /nfs/dbraw/zinc/29/35/71/434293571.db2.gz GQDLETHSUVEMPO-UHFFFAOYSA-N 2 2 309.660 3.086 20 0 DGADLP C[N@@H+](Cc1cc(Br)c(Cl)s1)C1CC([NH3+])C1 ZINC000384718719 434293583 /nfs/dbraw/zinc/29/35/83/434293583.db2.gz GQDLETHSUVEMPO-UHFFFAOYSA-N 2 2 309.660 3.086 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1Br)C1CC([NH3+])C1 ZINC000384866986 434293978 /nfs/dbraw/zinc/29/39/78/434293978.db2.gz OAOWMVLUBWYRBF-UHFFFAOYSA-N 2 2 303.631 3.024 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1Br)C1CC([NH3+])C1 ZINC000384866986 434293985 /nfs/dbraw/zinc/29/39/85/434293985.db2.gz OAOWMVLUBWYRBF-UHFFFAOYSA-N 2 2 303.631 3.024 20 0 DGADLP FC(F)(F)CC[NH+]1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000423221970 434294750 /nfs/dbraw/zinc/29/47/50/434294750.db2.gz YYIMWBLVZYOQTD-UHFFFAOYSA-N 2 2 313.367 3.483 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(C)c1 ZINC000423229860 434298035 /nfs/dbraw/zinc/29/80/35/434298035.db2.gz HZOJPXWAWFNJOI-SFHVURJKSA-N 2 2 310.445 3.363 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423231907 434298209 /nfs/dbraw/zinc/29/82/09/434298209.db2.gz HKEMXMWPHXGVHS-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC000423228968 434298518 /nfs/dbraw/zinc/29/85/18/434298518.db2.gz GCXBZQKIALMUTL-ZDUSSCGKSA-N 2 2 302.447 3.034 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(Cl)c1 ZINC000423233387 434298765 /nfs/dbraw/zinc/29/87/65/434298765.db2.gz OGWVJFBKEWQUGV-CYBMUJFWSA-N 2 2 316.836 3.318 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423229265 434299912 /nfs/dbraw/zinc/29/99/12/434299912.db2.gz ANPVDQRXXWSFIX-QUCCMNQESA-N 2 2 310.441 3.321 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000423231589 434299936 /nfs/dbraw/zinc/29/99/36/434299936.db2.gz GYUULQBGJVPQCZ-GOEBONIOSA-N 2 2 306.450 3.277 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1CCC(F)(F)CC1 ZINC000423231467 434300809 /nfs/dbraw/zinc/30/08/09/434300809.db2.gz LFPQXAWJNWNCLV-CYBMUJFWSA-N 2 2 324.419 3.117 20 0 DGADLP Cc1cccc2c1[C@@H](C)C[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231732 434301299 /nfs/dbraw/zinc/30/12/99/434301299.db2.gz LMKCWDVDBBXGFD-MAUKXSAKSA-N 2 2 322.456 3.460 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000423232895 434301823 /nfs/dbraw/zinc/30/18/23/434301823.db2.gz JAAYYMIDNFQYTN-KBPBESRZSA-N 2 2 309.251 3.086 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423238566 434303302 /nfs/dbraw/zinc/30/33/02/434303302.db2.gz RBIFVCCPZABDSE-QUCCMNQESA-N 2 2 310.441 3.321 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)sc1Br ZINC000423235178 434303688 /nfs/dbraw/zinc/30/36/88/434303688.db2.gz MVTSPZIPQTZTKH-UWVGGRQHSA-N 2 2 303.269 3.222 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000340700729 434308217 /nfs/dbraw/zinc/30/82/17/434308217.db2.gz JHMHRPGLRRMINQ-LJQANCHMSA-N 2 2 313.420 3.386 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386605650 434311368 /nfs/dbraw/zinc/31/13/68/434311368.db2.gz VRHIHIZXSDXSGF-APWZRJJASA-N 3 2 303.494 3.149 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423252712 434312375 /nfs/dbraw/zinc/31/23/75/434312375.db2.gz UJSXEXLXMVAXCM-IAGOWNOFSA-N 2 2 304.821 3.317 20 0 DGADLP CCC(=O)CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295329860 434314046 /nfs/dbraw/zinc/31/40/46/434314046.db2.gz OYPHOUYHDOOFQK-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295329860 434314055 /nfs/dbraw/zinc/31/40/55/434314055.db2.gz OYPHOUYHDOOFQK-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295329860 434314064 /nfs/dbraw/zinc/31/40/64/434314064.db2.gz OYPHOUYHDOOFQK-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295329860 434314072 /nfs/dbraw/zinc/31/40/72/434314072.db2.gz OYPHOUYHDOOFQK-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000358063185 434314781 /nfs/dbraw/zinc/31/47/81/434314781.db2.gz JMKXCEYBRMNSLW-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000358063185 434314788 /nfs/dbraw/zinc/31/47/88/434314788.db2.gz JMKXCEYBRMNSLW-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1F)C[NH+](C)C ZINC000386439928 434315281 /nfs/dbraw/zinc/31/52/81/434315281.db2.gz CGKFWUUXHMODRG-QWRGUYRKSA-N 2 2 317.246 3.437 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C2CC2)c1 ZINC000423252292 434315363 /nfs/dbraw/zinc/31/53/63/434315363.db2.gz XJUDRWRKQBGFTR-PMACEKPBSA-N 2 2 310.441 3.306 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423260612 434318266 /nfs/dbraw/zinc/31/82/66/434318266.db2.gz HRFJKLMBTGDXPG-HNAYVOBHSA-N 3 2 312.461 3.431 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCCOC2)CCC1 ZINC000386962886 434318302 /nfs/dbraw/zinc/31/83/02/434318302.db2.gz ZLFUDNNLLFGPDS-SFHVURJKSA-N 2 2 302.462 3.057 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCCOC2)CCC1 ZINC000386962886 434318310 /nfs/dbraw/zinc/31/83/10/434318310.db2.gz ZLFUDNNLLFGPDS-SFHVURJKSA-N 2 2 302.462 3.057 20 0 DGADLP Cc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000358081675 434319525 /nfs/dbraw/zinc/31/95/25/434319525.db2.gz LERYNTBSBRSLGH-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000423268090 434321912 /nfs/dbraw/zinc/32/19/12/434321912.db2.gz FXZWXXXUADFMGD-HZMBPMFUSA-N 2 2 315.255 3.092 20 0 DGADLP COCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C[C@@H]1CC=CCC1 ZINC000348436665 434323125 /nfs/dbraw/zinc/32/31/25/434323125.db2.gz MTHMESLJPHGCIS-OAHLLOKOSA-N 2 2 323.506 3.009 20 0 DGADLP COCC[N@H+](Cc1ncc(C[NH+](C)C)s1)C[C@@H]1CC=CCC1 ZINC000348436665 434323133 /nfs/dbraw/zinc/32/31/33/434323133.db2.gz MTHMESLJPHGCIS-OAHLLOKOSA-N 2 2 323.506 3.009 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC000423262433 434323636 /nfs/dbraw/zinc/32/36/36/434323636.db2.gz MMOZCCHJTWDZJC-LSTHTHJFSA-N 2 2 315.505 3.147 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287310443 434332829 /nfs/dbraw/zinc/33/28/29/434332829.db2.gz LEMOSOPYZNPDPS-FFGOWVMKSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287310443 434332839 /nfs/dbraw/zinc/33/28/39/434332839.db2.gz LEMOSOPYZNPDPS-FFGOWVMKSA-N 2 2 316.489 3.444 20 0 DGADLP Clc1ccc([C@@H](Cc2cccnc2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423196656 434277195 /nfs/dbraw/zinc/27/71/95/434277195.db2.gz VUTSVUKTPGZSDO-ZWKOTPCHSA-N 2 2 315.848 3.360 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1 ZINC000390597347 434363607 /nfs/dbraw/zinc/36/36/07/434363607.db2.gz XFDGKSGTEXFELI-DLBZAZTESA-N 2 2 312.457 3.433 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000390597347 434363616 /nfs/dbraw/zinc/36/36/16/434363616.db2.gz XFDGKSGTEXFELI-DLBZAZTESA-N 2 2 312.457 3.433 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc3c(c1)OCO3)CCC2 ZINC000366229970 434364349 /nfs/dbraw/zinc/36/43/49/434364349.db2.gz KBNGSCGECNSYQK-ZFWWWQNUSA-N 2 2 313.401 3.148 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390757663 434364906 /nfs/dbraw/zinc/36/49/06/434364906.db2.gz XHIFIHMAZYOQTG-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390757663 434364914 /nfs/dbraw/zinc/36/49/14/434364914.db2.gz XHIFIHMAZYOQTG-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423377158 434391602 /nfs/dbraw/zinc/39/16/02/434391602.db2.gz JYHLICMBBZJZRF-CABCVRRESA-N 2 2 320.481 3.209 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cncs1 ZINC000423376971 434391629 /nfs/dbraw/zinc/39/16/29/434391629.db2.gz VHJNCJBUBFJFBR-NVBFEUDRSA-N 2 2 323.412 3.218 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CC2)c(Cl)c1 ZINC000417377128 434373801 /nfs/dbraw/zinc/37/38/01/434373801.db2.gz FNKUCSLXLHRWGK-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP COC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423347920 434374657 /nfs/dbraw/zinc/37/46/57/434374657.db2.gz SFLUFZOPMHBANV-GDBMZVCRSA-N 2 2 314.832 3.146 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513859 434376863 /nfs/dbraw/zinc/37/68/63/434376863.db2.gz OGEINMCOALXCKY-RVKKMQEKSA-N 2 2 319.468 3.244 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513859 434376871 /nfs/dbraw/zinc/37/68/71/434376871.db2.gz OGEINMCOALXCKY-RVKKMQEKSA-N 2 2 319.468 3.244 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000423357064 434379210 /nfs/dbraw/zinc/37/92/10/434379210.db2.gz LDZCIJGTLVSBTO-GUYCJALGSA-N 2 2 311.385 3.201 20 0 DGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423371124 434383415 /nfs/dbraw/zinc/38/34/15/434383415.db2.gz AJWPCGVBFAYYIZ-NVXWUHKLSA-N 2 2 306.425 3.189 20 0 DGADLP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423363646 434383643 /nfs/dbraw/zinc/38/36/43/434383643.db2.gz UTQSZBOWLAKQLV-HNNXBMFYSA-N 3 2 318.424 3.326 20 0 DGADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287538386 434385801 /nfs/dbraw/zinc/38/58/01/434385801.db2.gz OBAOSMAPGHYQRK-UHFFFAOYSA-N 2 2 304.438 3.038 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744751 434386504 /nfs/dbraw/zinc/38/65/04/434386504.db2.gz HETAPPKKLFWNCB-WMZOPIPTSA-N 2 2 320.477 3.016 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744751 434386515 /nfs/dbraw/zinc/38/65/15/434386515.db2.gz HETAPPKKLFWNCB-WMZOPIPTSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744751 434386528 /nfs/dbraw/zinc/38/65/28/434386528.db2.gz HETAPPKKLFWNCB-WMZOPIPTSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744751 434386536 /nfs/dbraw/zinc/38/65/36/434386536.db2.gz HETAPPKKLFWNCB-WMZOPIPTSA-N 2 2 320.477 3.016 20 0 DGADLP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544357 434390577 /nfs/dbraw/zinc/39/05/77/434390577.db2.gz IWHHFRVZUTWGDL-HUUCEWRRSA-N 2 2 319.474 3.449 20 0 DGADLP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000348544357 434390583 /nfs/dbraw/zinc/39/05/83/434390583.db2.gz IWHHFRVZUTWGDL-HUUCEWRRSA-N 2 2 319.474 3.449 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423280357 434340616 /nfs/dbraw/zinc/34/06/16/434340616.db2.gz TYADEZUGOGCGAF-TVQRCGJNSA-N 2 2 303.219 3.222 20 0 DGADLP Cc1cc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)ccc1F ZINC000423375736 434391130 /nfs/dbraw/zinc/39/11/30/434391130.db2.gz XWWLVXORKJDSNK-IEBWSBKVSA-N 2 2 313.420 3.350 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000389805001 434354058 /nfs/dbraw/zinc/35/40/58/434354058.db2.gz ABTIVUXPXZZWKZ-UXPWSPDFSA-N 2 2 322.452 3.100 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000389805001 434354066 /nfs/dbraw/zinc/35/40/66/434354066.db2.gz ABTIVUXPXZZWKZ-UXPWSPDFSA-N 2 2 322.452 3.100 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287402141 434354931 /nfs/dbraw/zinc/35/49/31/434354931.db2.gz QXXLRZWTRRNHMM-GMBSWORKSA-N 2 2 312.461 3.042 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423317342 434358751 /nfs/dbraw/zinc/35/87/51/434358751.db2.gz KLSSHCOUOINLFI-UFBFGSQYSA-N 2 2 304.768 3.329 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600939 434360850 /nfs/dbraw/zinc/36/08/50/434360850.db2.gz UNPOYFJBSMNJBH-QFBILLFUSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600939 434360860 /nfs/dbraw/zinc/36/08/60/434360860.db2.gz UNPOYFJBSMNJBH-QFBILLFUSA-N 2 2 324.472 3.428 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000366529921 434443650 /nfs/dbraw/zinc/44/36/50/434443650.db2.gz QXAIQWASBNTLMA-VBJONLRCSA-N 2 2 320.481 3.114 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000366529921 434443658 /nfs/dbraw/zinc/44/36/58/434443658.db2.gz QXAIQWASBNTLMA-VBJONLRCSA-N 2 2 320.481 3.114 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000397903917 434445082 /nfs/dbraw/zinc/44/50/82/434445082.db2.gz WFRBKEIYVGYNEQ-UHFFFAOYSA-N 2 2 323.278 3.379 20 0 DGADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])s2)cc1 ZINC000423379846 434393357 /nfs/dbraw/zinc/39/33/57/434393357.db2.gz XWSCOCMXPAWPDO-WDEREUQCSA-N 2 2 305.447 3.125 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749231 434394029 /nfs/dbraw/zinc/39/40/29/434394029.db2.gz VDULXAZEVXTDQC-QFBILLFUSA-N 3 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749231 434394051 /nfs/dbraw/zinc/39/40/51/434394051.db2.gz VDULXAZEVXTDQC-QFBILLFUSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749231 434394061 /nfs/dbraw/zinc/39/40/61/434394061.db2.gz VDULXAZEVXTDQC-QFBILLFUSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749231 434394071 /nfs/dbraw/zinc/39/40/71/434394071.db2.gz VDULXAZEVXTDQC-QFBILLFUSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423385935 434395994 /nfs/dbraw/zinc/39/59/94/434395994.db2.gz RMLVYAYVPNANQS-CHWSQXEVSA-N 2 2 320.868 3.483 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423386999 434397560 /nfs/dbraw/zinc/39/75/60/434397560.db2.gz LVNZNQOYJMHOOQ-OALUTQOASA-N 2 2 324.472 3.128 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752282 434401246 /nfs/dbraw/zinc/40/12/46/434401246.db2.gz RWDKNXGFSDZOJE-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752282 434401254 /nfs/dbraw/zinc/40/12/54/434401254.db2.gz RWDKNXGFSDZOJE-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752282 434401259 /nfs/dbraw/zinc/40/12/59/434401259.db2.gz RWDKNXGFSDZOJE-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C[C@H]1C ZINC000353752282 434401262 /nfs/dbraw/zinc/40/12/62/434401262.db2.gz RWDKNXGFSDZOJE-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)C1 ZINC000358659496 434402534 /nfs/dbraw/zinc/40/25/34/434402534.db2.gz FMGUCVYYEYDKOK-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)C1 ZINC000358659496 434402543 /nfs/dbraw/zinc/40/25/43/434402543.db2.gz FMGUCVYYEYDKOK-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340874046 434407690 /nfs/dbraw/zinc/40/76/90/434407690.db2.gz HCNRGXFARXINTH-SQNIBIBYSA-N 2 2 319.493 3.270 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340874046 434407697 /nfs/dbraw/zinc/40/76/97/434407697.db2.gz HCNRGXFARXINTH-SQNIBIBYSA-N 2 2 319.493 3.270 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000423413815 434409534 /nfs/dbraw/zinc/40/95/34/434409534.db2.gz BASOKRINKFFMJT-NHYWBVRUSA-N 2 2 317.260 3.413 20 0 DGADLP COc1nc(C)cc(C)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287620078 434411631 /nfs/dbraw/zinc/41/16/31/434411631.db2.gz FDQNMZJXBFLNOC-KRWDZBQOSA-N 2 2 317.477 3.157 20 0 DGADLP COc1nc(C)cc(C)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287620078 434411640 /nfs/dbraw/zinc/41/16/40/434411640.db2.gz FDQNMZJXBFLNOC-KRWDZBQOSA-N 2 2 317.477 3.157 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438119242 434413731 /nfs/dbraw/zinc/41/37/31/434413731.db2.gz ZMNQDCLWJYQSNX-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438119242 434413742 /nfs/dbraw/zinc/41/37/42/434413742.db2.gz ZMNQDCLWJYQSNX-AWEZNQCLSA-N 2 2 318.490 3.302 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423416871 434413868 /nfs/dbraw/zinc/41/38/68/434413868.db2.gz RKRAJDRDOKKWPY-QFBILLFUSA-N 2 2 320.477 3.285 20 0 DGADLP COC[C@]1(C[NH2+][C@H](c2cc3ccccc3o2)C(C)C)CCC[NH2+]1 ZINC000423417541 434417544 /nfs/dbraw/zinc/41/75/44/434417544.db2.gz SOXVGVZYYSAOFY-RBUKOAKNSA-N 2 2 316.445 3.488 20 0 DGADLP CC(C)[C@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H](C)[NH3+] ZINC000423432117 434420380 /nfs/dbraw/zinc/42/03/80/434420380.db2.gz QQRRCTJZTWRASI-DYVFJYSZSA-N 2 2 313.401 3.432 20 0 DGADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445259 434426930 /nfs/dbraw/zinc/42/69/30/434426930.db2.gz XTJDXYBXMFSYDR-LOKLDPHHSA-N 2 2 303.258 3.240 20 0 DGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423443668 434427356 /nfs/dbraw/zinc/42/73/56/434427356.db2.gz XEIZXTYACKPMKO-OXJNMPFZSA-N 2 2 309.457 3.269 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)cc1 ZINC000423446725 434429430 /nfs/dbraw/zinc/42/94/30/434429430.db2.gz YYCCCRFNPBOCMH-XWTMOSNGSA-N 2 2 316.807 3.376 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000397102561 434433640 /nfs/dbraw/zinc/43/36/40/434433640.db2.gz PZRVWWNUHMZQDK-YLJYHZDGSA-N 2 2 309.457 3.451 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000397102561 434433650 /nfs/dbraw/zinc/43/36/50/434433650.db2.gz PZRVWWNUHMZQDK-YLJYHZDGSA-N 2 2 309.457 3.451 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397759748 434440164 /nfs/dbraw/zinc/44/01/64/434440164.db2.gz HRGBVSZFDDRCLN-GFCCVEGCSA-N 2 2 311.267 3.064 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cnn1C(C)C ZINC000423502296 434458503 /nfs/dbraw/zinc/45/85/03/434458503.db2.gz DYXGLMNLIZWESJ-ZOCIIQOWSA-N 2 2 312.461 3.179 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2CC)C12CCC2 ZINC000423498845 434458798 /nfs/dbraw/zinc/45/87/98/434458798.db2.gz ILHIWLWPPYTXFO-FGTMMUONSA-N 2 2 302.462 3.186 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2cc(Cl)ccc2o1 ZINC000423497300 434458956 /nfs/dbraw/zinc/45/89/56/434458956.db2.gz YPTMHCCSBVBDDP-BXUZGUMPSA-N 2 2 308.809 3.115 20 0 DGADLP C[NH+](C)C1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000438348759 434463342 /nfs/dbraw/zinc/46/33/42/434463342.db2.gz YUPYCHWAZOWAJD-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP C[NH+](C)C1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000438348759 434463355 /nfs/dbraw/zinc/46/33/55/434463355.db2.gz YUPYCHWAZOWAJD-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1F ZINC000423505897 434467566 /nfs/dbraw/zinc/46/75/66/434467566.db2.gz HNSQZLZILABWJY-RPVQJOFSSA-N 2 2 314.404 3.241 20 0 DGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1c1ncc[nH]1 ZINC000360003781 434469532 /nfs/dbraw/zinc/46/95/32/434469532.db2.gz ATWZNXSPVGNPGO-GOSISDBHSA-N 2 2 321.428 3.150 20 0 DGADLP CCN1CCN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000360003781 434469541 /nfs/dbraw/zinc/46/95/41/434469541.db2.gz ATWZNXSPVGNPGO-GOSISDBHSA-N 2 2 321.428 3.150 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423518112 434470200 /nfs/dbraw/zinc/47/02/00/434470200.db2.gz IFTGJAXUMCYAIY-BEFAXECRSA-N 2 2 312.413 3.118 20 0 DGADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423515621 434470401 /nfs/dbraw/zinc/47/04/01/434470401.db2.gz FUYIBVUSIUVNHH-WPRPVWTQSA-N 2 2 321.273 3.010 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000348750909 434470942 /nfs/dbraw/zinc/47/09/42/434470942.db2.gz QEOSDVBNAVSBJK-SNVBAGLBSA-N 2 2 309.401 3.276 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000348750909 434470951 /nfs/dbraw/zinc/47/09/51/434470951.db2.gz QEOSDVBNAVSBJK-SNVBAGLBSA-N 2 2 309.401 3.276 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2F)s1 ZINC000423527528 434476040 /nfs/dbraw/zinc/47/60/40/434476040.db2.gz RQRWWYIXISHNGF-STQMWFEESA-N 2 2 320.433 3.193 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@@H+]1C ZINC000341006089 434479709 /nfs/dbraw/zinc/47/97/09/434479709.db2.gz JTOIARKLSMDTBE-MNOVXSKESA-N 2 2 320.330 3.297 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CC[N@H+]1C ZINC000341006089 434479721 /nfs/dbraw/zinc/47/97/21/434479721.db2.gz JTOIARKLSMDTBE-MNOVXSKESA-N 2 2 320.330 3.297 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000400515323 434485251 /nfs/dbraw/zinc/48/52/51/434485251.db2.gz BRPISVWDURCJSM-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000400515323 434485258 /nfs/dbraw/zinc/48/52/58/434485258.db2.gz BRPISVWDURCJSM-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(C2CC2)[nH+]1 ZINC000287936212 434485676 /nfs/dbraw/zinc/48/56/76/434485676.db2.gz XNBSSLPBSFMMOM-UHFFFAOYSA-N 2 2 323.444 3.134 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c2nccn21 ZINC000296033983 434485760 /nfs/dbraw/zinc/48/57/60/434485760.db2.gz QIIBHBVEZUDTCM-YJBOKZPZSA-N 2 2 310.445 3.275 20 0 DGADLP Cc1cc([C@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)ccc1F ZINC000423556077 434488460 /nfs/dbraw/zinc/48/84/60/434488460.db2.gz MJWHATRZUVUFCX-IBGZPJMESA-N 2 2 313.420 3.350 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)on1 ZINC000348785965 434492396 /nfs/dbraw/zinc/49/23/96/434492396.db2.gz SECRISVHKFECJB-YJBOKZPZSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)on1 ZINC000348785965 434492403 /nfs/dbraw/zinc/49/24/03/434492403.db2.gz SECRISVHKFECJB-YJBOKZPZSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398138246 434453506 /nfs/dbraw/zinc/45/35/06/434453506.db2.gz LOGAQNFZAICMIH-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398138246 434453517 /nfs/dbraw/zinc/45/35/17/434453517.db2.gz LOGAQNFZAICMIH-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353819889 434455153 /nfs/dbraw/zinc/45/51/53/434455153.db2.gz QDOIEVZCYVYQHJ-KBXCAEBGSA-N 2 2 321.428 3.408 20 0 DGADLP CC[C@H](C[NH2+]CC1(OC)CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000359973755 434458008 /nfs/dbraw/zinc/45/80/08/434458008.db2.gz CSGFXTDHTXMDBN-LJQANCHMSA-N 2 2 316.489 3.372 20 0 DGADLP CC[C@H](C[NH2+]CC1(OC)CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000359973755 434458017 /nfs/dbraw/zinc/45/80/17/434458017.db2.gz CSGFXTDHTXMDBN-LJQANCHMSA-N 2 2 316.489 3.372 20 0 DGADLP COc1ccccc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348813662 434506762 /nfs/dbraw/zinc/50/67/62/434506762.db2.gz XJYLPMLJOJKAKO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1ccccc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348813662 434506767 /nfs/dbraw/zinc/50/67/67/434506767.db2.gz XJYLPMLJOJKAKO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1ccccc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000348813662 434506774 /nfs/dbraw/zinc/50/67/74/434506774.db2.gz XJYLPMLJOJKAKO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP COc1ccccc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000348813662 434506781 /nfs/dbraw/zinc/50/67/81/434506781.db2.gz XJYLPMLJOJKAKO-UHFFFAOYSA-N 2 2 302.418 3.242 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404390811 434511856 /nfs/dbraw/zinc/51/18/56/434511856.db2.gz XYOJTIYUICVGTI-BLLLJJGKSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404390811 434511862 /nfs/dbraw/zinc/51/18/62/434511862.db2.gz XYOJTIYUICVGTI-BLLLJJGKSA-N 2 2 323.868 3.036 20 0 DGADLP CCn1c[nH+]cc1CN(CC[NH+](CC)CC)Cc1ccccc1 ZINC000417745526 434517346 /nfs/dbraw/zinc/51/73/46/434517346.db2.gz BDBFNBXZRBOTRY-UHFFFAOYSA-N 2 2 314.477 3.247 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H](C)O1 ZINC000296156635 434525313 /nfs/dbraw/zinc/52/53/13/434525313.db2.gz WHERTVCBEZZAGR-LALPHHSUSA-N 2 2 305.809 3.181 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405959254 434525515 /nfs/dbraw/zinc/52/55/15/434525515.db2.gz MEZSDSNZNPRHBK-IBGZPJMESA-N 2 2 312.461 3.218 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000405959254 434525524 /nfs/dbraw/zinc/52/55/24/434525524.db2.gz MEZSDSNZNPRHBK-IBGZPJMESA-N 2 2 312.461 3.218 20 0 DGADLP CCn1nc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c2ccccc21 ZINC000360153099 434536727 /nfs/dbraw/zinc/53/67/27/434536727.db2.gz CJDRXDBIHHUIGU-UHFFFAOYSA-N 2 2 314.477 3.268 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](c2ccsc2)N(C)C)c[nH+]1 ZINC000353945104 434538119 /nfs/dbraw/zinc/53/81/19/434538119.db2.gz NBXPWXPNLCUZCU-QGZVFWFLSA-N 2 2 303.475 3.277 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC(F)F)cc1C ZINC000525195948 295003072 /nfs/dbraw/zinc/00/30/72/295003072.db2.gz GLCYJHTULXRKJX-UKRRQHHQSA-N 2 2 312.404 3.477 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(F)F)cc1C ZINC000525195948 295003074 /nfs/dbraw/zinc/00/30/74/295003074.db2.gz GLCYJHTULXRKJX-UKRRQHHQSA-N 2 2 312.404 3.477 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)c3cccc(C[NH+](C)C)c3)ccc2n1C ZINC000525266721 295008599 /nfs/dbraw/zinc/00/85/99/295008599.db2.gz GJDRWAIHSMGCNP-UHFFFAOYSA-N 2 2 322.412 3.196 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000360250997 434561632 /nfs/dbraw/zinc/56/16/32/434561632.db2.gz QWDCVDLSKJVKHZ-LJQANCHMSA-N 2 2 310.441 3.404 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000360250997 434561639 /nfs/dbraw/zinc/56/16/39/434561639.db2.gz QWDCVDLSKJVKHZ-LJQANCHMSA-N 2 2 310.441 3.404 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994280 434562519 /nfs/dbraw/zinc/56/25/19/434562519.db2.gz AJDAVUDFRRMBON-IAGOWNOFSA-N 2 2 316.424 3.102 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994280 434562523 /nfs/dbraw/zinc/56/25/23/434562523.db2.gz AJDAVUDFRRMBON-IAGOWNOFSA-N 2 2 316.424 3.102 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108227 295057623 /nfs/dbraw/zinc/05/76/23/295057623.db2.gz LJPMDLDCXARFSH-QAPCUYQASA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108227 295057625 /nfs/dbraw/zinc/05/76/25/295057625.db2.gz LJPMDLDCXARFSH-QAPCUYQASA-N 2 2 301.478 3.318 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527647328 295109292 /nfs/dbraw/zinc/10/92/92/295109292.db2.gz CGJAFQLFXBIZSQ-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527647328 295109293 /nfs/dbraw/zinc/10/92/93/295109293.db2.gz CGJAFQLFXBIZSQ-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527650156 295110026 /nfs/dbraw/zinc/11/00/26/295110026.db2.gz TYQMZMSRFNLHQV-NSHDSACASA-N 2 2 302.796 3.438 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527650156 295110027 /nfs/dbraw/zinc/11/00/27/295110027.db2.gz TYQMZMSRFNLHQV-NSHDSACASA-N 2 2 302.796 3.438 20 0 DGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000527695341 295117019 /nfs/dbraw/zinc/11/70/19/295117019.db2.gz NIUIUQSUXZZUJR-JSGCOSHPSA-N 2 2 315.408 3.301 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)c(C)c1OC ZINC000285953822 295137485 /nfs/dbraw/zinc/13/74/85/295137485.db2.gz GHGPTYGONLNPNW-KGLIPLIRSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)c(C)c1OC ZINC000285953822 295137487 /nfs/dbraw/zinc/13/74/87/295137487.db2.gz GHGPTYGONLNPNW-KGLIPLIRSA-N 2 2 320.477 3.016 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000527899371 295147209 /nfs/dbraw/zinc/14/72/09/295147209.db2.gz QZNBSNNYIJUAOJ-OAHLLOKOSA-N 2 2 311.429 3.148 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C(C)C)c1 ZINC000527905853 295148318 /nfs/dbraw/zinc/14/83/18/295148318.db2.gz XEZXJVFCELSDEQ-RBUKOAKNSA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C(C)C)c1 ZINC000527905853 295148319 /nfs/dbraw/zinc/14/83/19/295148319.db2.gz XEZXJVFCELSDEQ-RBUKOAKNSA-N 2 2 304.478 3.129 20 0 DGADLP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952050 295156108 /nfs/dbraw/zinc/15/61/08/295156108.db2.gz STNNCHVLIBWFIT-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952050 295156109 /nfs/dbraw/zinc/15/61/09/295156109.db2.gz STNNCHVLIBWFIT-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP Cc1cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)ccc1Oc1cc[nH+]cc1 ZINC000423912954 434576268 /nfs/dbraw/zinc/57/62/68/434576268.db2.gz UKNIPJPJVYHTMQ-MRXNPFEDSA-N 2 2 313.401 3.494 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)ccc1Oc1cc[nH+]cc1 ZINC000423912497 434576331 /nfs/dbraw/zinc/57/63/31/434576331.db2.gz TYKYYIRCMVGENC-LPHOPBHVSA-N 2 2 323.396 3.120 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393098 295207023 /nfs/dbraw/zinc/20/70/23/295207023.db2.gz DZLAKJQNAZMQBV-GXTWGEPZSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393098 295207024 /nfs/dbraw/zinc/20/70/24/295207024.db2.gz DZLAKJQNAZMQBV-GXTWGEPZSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393098 295207025 /nfs/dbraw/zinc/20/70/25/295207025.db2.gz DZLAKJQNAZMQBV-GXTWGEPZSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393098 295207026 /nfs/dbraw/zinc/20/70/26/295207026.db2.gz DZLAKJQNAZMQBV-GXTWGEPZSA-N 2 2 315.383 3.405 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000528426005 295212668 /nfs/dbraw/zinc/21/26/68/295212668.db2.gz SPOHKECBIQBKAJ-OCCSQVGLSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000528426005 295212670 /nfs/dbraw/zinc/21/26/70/295212670.db2.gz SPOHKECBIQBKAJ-OCCSQVGLSA-N 2 2 324.350 3.380 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528481038 295217605 /nfs/dbraw/zinc/21/76/05/295217605.db2.gz KRAVVWNLWKFXLR-UHFFFAOYSA-N 2 2 317.820 3.482 20 0 DGADLP CCC[N@H+](CCc1ccccn1)Cc1ncc(C[NH+](C)C)s1 ZINC000349063906 434593933 /nfs/dbraw/zinc/59/39/33/434593933.db2.gz SIBZOMWYZNAIIK-UHFFFAOYSA-N 2 2 318.490 3.054 20 0 DGADLP CCC[N@@H+](CCc1ccccn1)Cc1ncc(C[NH+](C)C)s1 ZINC000349063906 434593940 /nfs/dbraw/zinc/59/39/40/434593940.db2.gz SIBZOMWYZNAIIK-UHFFFAOYSA-N 2 2 318.490 3.054 20 0 DGADLP C[N@H+](C[C@@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583095 434618926 /nfs/dbraw/zinc/61/89/26/434618926.db2.gz SIQIZFRBDWXVOT-MOPGFXCFSA-N 2 2 314.473 3.059 20 0 DGADLP C[N@@H+](C[C@@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583095 434618934 /nfs/dbraw/zinc/61/89/34/434618934.db2.gz SIQIZFRBDWXVOT-MOPGFXCFSA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583095 434618941 /nfs/dbraw/zinc/61/89/41/434618941.db2.gz SIQIZFRBDWXVOT-MOPGFXCFSA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583095 434618948 /nfs/dbraw/zinc/61/89/48/434618948.db2.gz SIQIZFRBDWXVOT-MOPGFXCFSA-N 2 2 314.473 3.059 20 0 DGADLP CCc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)o1 ZINC000439546412 434623672 /nfs/dbraw/zinc/62/36/72/434623672.db2.gz IQSSXZSYWFIWGL-CQSZACIVSA-N 2 2 316.449 3.325 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000459755552 434697858 /nfs/dbraw/zinc/69/78/58/434697858.db2.gz OZOHCTNPFWIGFF-KGLIPLIRSA-N 2 2 309.417 3.326 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)nc1C ZINC000459675747 434660061 /nfs/dbraw/zinc/66/00/61/434660061.db2.gz TWODNHAEBPRWLD-UHFFFAOYSA-N 2 2 315.383 3.205 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCc2nc3ccccc3[nH]2)c[nH+]1 ZINC000354193214 434661685 /nfs/dbraw/zinc/66/16/85/434661685.db2.gz VBWMOBBEIDGKFZ-UHFFFAOYSA-N 2 2 308.429 3.421 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000371292524 434665943 /nfs/dbraw/zinc/66/59/43/434665943.db2.gz CMDUIHGXHXBDJQ-BRWVUGGUSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000371292524 434665948 /nfs/dbraw/zinc/66/59/48/434665948.db2.gz CMDUIHGXHXBDJQ-BRWVUGGUSA-N 2 2 308.853 3.024 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205795 434666965 /nfs/dbraw/zinc/66/69/65/434666965.db2.gz JCLRSPJTTRUDMF-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205795 434666977 /nfs/dbraw/zinc/66/69/77/434666977.db2.gz JCLRSPJTTRUDMF-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205795 434666985 /nfs/dbraw/zinc/66/69/85/434666985.db2.gz JCLRSPJTTRUDMF-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@H]1C ZINC000354205795 434666993 /nfs/dbraw/zinc/66/69/93/434666993.db2.gz JCLRSPJTTRUDMF-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207299 434669626 /nfs/dbraw/zinc/66/96/26/434669626.db2.gz MBWUPVDDWWGSHA-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207299 434669634 /nfs/dbraw/zinc/66/96/34/434669634.db2.gz MBWUPVDDWWGSHA-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207299 434669644 /nfs/dbraw/zinc/66/96/44/434669644.db2.gz MBWUPVDDWWGSHA-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207299 434669653 /nfs/dbraw/zinc/66/96/53/434669653.db2.gz MBWUPVDDWWGSHA-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H](C)C1 ZINC000349319844 434671514 /nfs/dbraw/zinc/67/15/14/434671514.db2.gz GMQGTGFEIWSDRJ-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)[C@@H](C)C1 ZINC000349319844 434671520 /nfs/dbraw/zinc/67/15/20/434671520.db2.gz GMQGTGFEIWSDRJ-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccc(Cn3cccn3)c2)c[nH+]1 ZINC000354216554 434674340 /nfs/dbraw/zinc/67/43/40/434674340.db2.gz NMUNHHYIWSENSI-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223935 434679176 /nfs/dbraw/zinc/67/91/76/434679176.db2.gz MAUWRAICXQVXMB-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223935 434679184 /nfs/dbraw/zinc/67/91/84/434679184.db2.gz MAUWRAICXQVXMB-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223935 434679189 /nfs/dbraw/zinc/67/91/89/434679189.db2.gz MAUWRAICXQVXMB-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@@H]1C ZINC000354223935 434679194 /nfs/dbraw/zinc/67/91/94/434679194.db2.gz MAUWRAICXQVXMB-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ncc(C(C)C)s1)CCC2 ZINC000371749105 434745950 /nfs/dbraw/zinc/74/59/50/434745950.db2.gz YDGAKBQJFXADGG-CYBMUJFWSA-N 2 2 304.463 3.439 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Br ZINC000424340690 434703450 /nfs/dbraw/zinc/70/34/50/434703450.db2.gz YRFGMQIZAJCTPA-CHWSQXEVSA-N 2 2 317.658 3.462 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349409584 434704052 /nfs/dbraw/zinc/70/40/52/434704052.db2.gz RGOCQTITNMLTCC-UHFFFAOYSA-N 2 2 308.514 3.419 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349409584 434704058 /nfs/dbraw/zinc/70/40/58/434704058.db2.gz RGOCQTITNMLTCC-UHFFFAOYSA-N 2 2 308.514 3.419 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000354290852 434708057 /nfs/dbraw/zinc/70/80/57/434708057.db2.gz YOCPUZINLMVIIO-QGZVFWFLSA-N 2 2 314.433 3.320 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000424363212 434711115 /nfs/dbraw/zinc/71/11/15/434711115.db2.gz BIRPWPREDXNVLC-CHWSQXEVSA-N 2 2 317.658 3.462 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000424371007 434713805 /nfs/dbraw/zinc/71/38/05/434713805.db2.gz UJFYYELEPVXLCR-CHWSQXEVSA-N 2 2 303.233 3.362 20 0 DGADLP CC[C@@H](C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231910 434754657 /nfs/dbraw/zinc/75/46/57/434754657.db2.gz DKNSSQWMHSHQLJ-CVEARBPZSA-N 2 2 301.434 3.234 20 0 DGADLP CC[C@@H](C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231910 434754662 /nfs/dbraw/zinc/75/46/62/434754662.db2.gz DKNSSQWMHSHQLJ-CVEARBPZSA-N 2 2 301.434 3.234 20 0 DGADLP CCC(CC)(CC)C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000354383645 434743882 /nfs/dbraw/zinc/74/38/82/434743882.db2.gz JZYWIUVVPVRQPF-IBGZPJMESA-N 2 2 318.505 3.212 20 0 DGADLP CCC(CC)(CC)C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000354383645 434743889 /nfs/dbraw/zinc/74/38/89/434743889.db2.gz JZYWIUVVPVRQPF-IBGZPJMESA-N 2 2 318.505 3.212 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419301676 434766233 /nfs/dbraw/zinc/76/62/33/434766233.db2.gz OEXJTZHRBAJMFR-MRXNPFEDSA-N 2 2 305.372 3.177 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419301676 434766235 /nfs/dbraw/zinc/76/62/35/434766235.db2.gz OEXJTZHRBAJMFR-MRXNPFEDSA-N 2 2 305.372 3.177 20 0 DGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440952991 434758033 /nfs/dbraw/zinc/75/80/33/434758033.db2.gz FAAAUIIVIPLFMW-QZTJIDSGSA-N 2 2 311.429 3.404 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440952991 434758039 /nfs/dbraw/zinc/75/80/39/434758039.db2.gz FAAAUIIVIPLFMW-QZTJIDSGSA-N 2 2 311.429 3.404 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332917 434762615 /nfs/dbraw/zinc/76/26/15/434762615.db2.gz OJRZSIIBUORTGM-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332917 434762622 /nfs/dbraw/zinc/76/26/22/434762622.db2.gz OJRZSIIBUORTGM-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332917 434762623 /nfs/dbraw/zinc/76/26/23/434762623.db2.gz OJRZSIIBUORTGM-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332917 434762630 /nfs/dbraw/zinc/76/26/30/434762630.db2.gz OJRZSIIBUORTGM-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000361026912 434771305 /nfs/dbraw/zinc/77/13/05/434771305.db2.gz UYCRNHNVJIJOAC-JYPHPWERSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000361026912 434771309 /nfs/dbraw/zinc/77/13/09/434771309.db2.gz UYCRNHNVJIJOAC-JYPHPWERSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1F ZINC000371980299 434780233 /nfs/dbraw/zinc/78/02/33/434780233.db2.gz XLCUECTZTOONQM-DOTOQJQBSA-N 2 2 317.408 3.347 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000411408381 434774643 /nfs/dbraw/zinc/77/46/43/434774643.db2.gz PEOQGFBSTAZXQW-MRXNPFEDSA-N 2 2 313.445 3.114 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCC1(O)CCC1 ZINC000411408381 434774645 /nfs/dbraw/zinc/77/46/45/434774645.db2.gz PEOQGFBSTAZXQW-MRXNPFEDSA-N 2 2 313.445 3.114 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000443195653 434775928 /nfs/dbraw/zinc/77/59/28/434775928.db2.gz JCTNJMWEESNICP-ZOBUZTSGSA-N 2 2 300.450 3.071 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424093 434779003 /nfs/dbraw/zinc/77/90/03/434779003.db2.gz KPQHMYMQZZUDRG-JLSDUUJJSA-N 2 2 313.420 3.370 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424093 434779007 /nfs/dbraw/zinc/77/90/07/434779007.db2.gz KPQHMYMQZZUDRG-JLSDUUJJSA-N 2 2 313.420 3.370 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000453053317 434784784 /nfs/dbraw/zinc/78/47/84/434784784.db2.gz FZIJJMGVNGOQQO-BMGDILEWSA-N 2 2 311.429 3.481 20 0 DGADLP CC(C)c1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361059293 434780902 /nfs/dbraw/zinc/78/09/02/434780902.db2.gz SCGVUNZHGKMJIH-UHFFFAOYSA-N 2 2 317.437 3.082 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000453094377 434799001 /nfs/dbraw/zinc/79/90/01/434799001.db2.gz RSANPJMXYOOOCX-ZWKOTPCHSA-N 2 2 322.880 3.116 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000453101074 434800224 /nfs/dbraw/zinc/80/02/24/434800224.db2.gz YQVLTIJTCUEEEJ-INIZCTEOSA-N 2 2 323.444 3.041 20 0 DGADLP CC1(C)CC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)O1 ZINC000411502170 434791459 /nfs/dbraw/zinc/79/14/59/434791459.db2.gz IKORDBRCZKZPFW-KRWDZBQOSA-N 2 2 305.466 3.333 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000453080199 434794315 /nfs/dbraw/zinc/79/43/15/434794315.db2.gz DWWVRZKYTLDGLH-OALUTQOASA-N 2 2 314.477 3.109 20 0 DGADLP CC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000361113001 434798393 /nfs/dbraw/zinc/79/83/93/434798393.db2.gz KCTPEXFFCDARKS-SJORKVTESA-N 2 2 320.477 3.475 20 0 DGADLP Cc1oncc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000445814161 434828404 /nfs/dbraw/zinc/82/84/04/434828404.db2.gz SAINUBOWPXXNDA-MRXNPFEDSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1oncc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000445814161 434828411 /nfs/dbraw/zinc/82/84/11/434828411.db2.gz SAINUBOWPXXNDA-MRXNPFEDSA-N 2 2 310.401 3.306 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453224124 434832731 /nfs/dbraw/zinc/83/27/31/434832731.db2.gz RTCGMGQOEMHJNQ-SJLPKXTDSA-N 2 2 312.461 3.076 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224124 434832735 /nfs/dbraw/zinc/83/27/35/434832735.db2.gz RTCGMGQOEMHJNQ-SJLPKXTDSA-N 2 2 312.461 3.076 20 0 DGADLP CC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(F)F ZINC000453251393 434840795 /nfs/dbraw/zinc/84/07/95/434840795.db2.gz TVEFUFCGTSAACH-DOMZBBRYSA-N 2 2 300.393 3.321 20 0 DGADLP CCCC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453275713 434847295 /nfs/dbraw/zinc/84/72/95/434847295.db2.gz XDBUNBVDWHPNHP-OALUTQOASA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453275713 434847298 /nfs/dbraw/zinc/84/72/98/434847298.db2.gz XDBUNBVDWHPNHP-OALUTQOASA-N 2 2 304.478 3.354 20 0 DGADLP CC(C)C[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)n1cc[nH+]c1 ZINC000637857873 434894343 /nfs/dbraw/zinc/89/43/43/434894343.db2.gz UOERPGURAYCGMW-BBRMVZONSA-N 2 2 300.406 3.129 20 0 DGADLP Cc1[nH]c(CNC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[nH+]c1C ZINC000573459986 434901246 /nfs/dbraw/zinc/90/12/46/434901246.db2.gz RUVBPPDBHVPTTN-GOSISDBHSA-N 2 2 312.461 3.262 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000573054735 434869666 /nfs/dbraw/zinc/86/96/66/434869666.db2.gz BYYWIACVNTZAEZ-CRAIPNDOSA-N 2 2 313.445 3.380 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000573054735 434869667 /nfs/dbraw/zinc/86/96/67/434869667.db2.gz BYYWIACVNTZAEZ-CRAIPNDOSA-N 2 2 313.445 3.380 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101981 434873867 /nfs/dbraw/zinc/87/38/67/434873867.db2.gz QKPMCWFERJKEON-JQWIXIFHSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101981 434873872 /nfs/dbraw/zinc/87/38/72/434873872.db2.gz QKPMCWFERJKEON-JQWIXIFHSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101984 434874339 /nfs/dbraw/zinc/87/43/39/434874339.db2.gz QKPMCWFERJKEON-ZYHUDNBSSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101984 434874340 /nfs/dbraw/zinc/87/43/40/434874340.db2.gz QKPMCWFERJKEON-ZYHUDNBSSA-N 2 2 303.233 3.184 20 0 DGADLP CCC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000492211641 434935978 /nfs/dbraw/zinc/93/59/78/434935978.db2.gz UMZGHQSRUBVBSL-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP CCC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000492211641 434935982 /nfs/dbraw/zinc/93/59/82/434935982.db2.gz UMZGHQSRUBVBSL-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135696 434963080 /nfs/dbraw/zinc/96/30/80/434963080.db2.gz VZPCKVJQSWRYEZ-OAHLLOKOSA-N 2 2 309.404 3.183 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135696 434963083 /nfs/dbraw/zinc/96/30/83/434963083.db2.gz VZPCKVJQSWRYEZ-OAHLLOKOSA-N 2 2 309.404 3.183 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135696 434963084 /nfs/dbraw/zinc/96/30/84/434963084.db2.gz VZPCKVJQSWRYEZ-OAHLLOKOSA-N 2 2 309.404 3.183 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135696 434963088 /nfs/dbraw/zinc/96/30/88/434963088.db2.gz VZPCKVJQSWRYEZ-OAHLLOKOSA-N 2 2 309.404 3.183 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCC[C@H]1CCO1 ZINC000638149044 434964792 /nfs/dbraw/zinc/96/47/92/434964792.db2.gz DQQDFCWCEPPODO-SJORKVTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCC[C@H]1CCO1 ZINC000638149044 434964796 /nfs/dbraw/zinc/96/47/96/434964796.db2.gz DQQDFCWCEPPODO-SJORKVTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000638149737 434964944 /nfs/dbraw/zinc/96/49/44/434964944.db2.gz OROKWOXVIBCYIU-INIZCTEOSA-N 2 2 322.412 3.110 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000638149737 434964948 /nfs/dbraw/zinc/96/49/48/434964948.db2.gz OROKWOXVIBCYIU-INIZCTEOSA-N 2 2 322.412 3.110 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638186432 434975131 /nfs/dbraw/zinc/97/51/31/434975131.db2.gz TZLKLUHMDAQYOW-GJZGRUSLSA-N 2 2 305.491 3.053 20 0 DGADLP COC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000573898692 434933633 /nfs/dbraw/zinc/93/36/33/434933633.db2.gz DLPGKRLPBXRHEA-INIZCTEOSA-N 2 2 307.825 3.294 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638018883 434934083 /nfs/dbraw/zinc/93/40/83/434934083.db2.gz VSABZKADYTVWTN-CYBMUJFWSA-N 2 2 321.808 3.088 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638018883 434934087 /nfs/dbraw/zinc/93/40/87/434934087.db2.gz VSABZKADYTVWTN-CYBMUJFWSA-N 2 2 321.808 3.088 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000492211649 434934888 /nfs/dbraw/zinc/93/48/88/434934888.db2.gz UMZGHQSRUBVBSL-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000492211649 434934893 /nfs/dbraw/zinc/93/48/93/434934893.db2.gz UMZGHQSRUBVBSL-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000555523925 434977319 /nfs/dbraw/zinc/97/73/19/434977319.db2.gz KCMKYGOFBJHUHB-ZWKOTPCHSA-N 2 2 324.509 3.210 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000574629869 434991146 /nfs/dbraw/zinc/99/11/46/434991146.db2.gz AHMQNMUHCSCQDO-IEBWSBKVSA-N 3 2 303.494 3.017 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000574629869 434991149 /nfs/dbraw/zinc/99/11/49/434991149.db2.gz AHMQNMUHCSCQDO-IEBWSBKVSA-N 3 2 303.494 3.017 20 0 DGADLP OCc1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000638285560 434996269 /nfs/dbraw/zinc/99/62/69/434996269.db2.gz ILKRBHQPIMGQKC-KRWDZBQOSA-N 2 2 316.470 3.167 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]([NH3+])CCC(C)C)[nH+]1 ZINC000638281013 434996504 /nfs/dbraw/zinc/99/65/04/434996504.db2.gz MRMKCDXNVWYSPD-CQSZACIVSA-N 2 2 300.406 3.087 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)C2)c1 ZINC000638286538 434996660 /nfs/dbraw/zinc/99/66/60/434996660.db2.gz PGTMWRIXXSXZIC-CTWPCTMYSA-N 2 2 310.445 3.013 20 0 DGADLP c1ccc([C@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)cc1 ZINC000638288036 434997720 /nfs/dbraw/zinc/99/77/20/434997720.db2.gz YVRSCUBDLJTUCF-IBGZPJMESA-N 2 2 302.462 3.230 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000638287840 434998091 /nfs/dbraw/zinc/99/80/91/434998091.db2.gz WWBZMSHPZOJCDL-GPANFISMSA-N 2 2 308.491 3.290 20 0 DGADLP COCC1(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)CCC1 ZINC000638298808 435000171 /nfs/dbraw/zinc/00/01/71/435000171.db2.gz SUBVSOVUGYSKJF-UHFFFAOYSA-N 2 2 301.434 3.141 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000638333054 435006666 /nfs/dbraw/zinc/00/66/66/435006666.db2.gz NNQMXXAGQIVDHM-XYPHTWIQSA-N 2 2 308.416 3.457 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000638333054 435006670 /nfs/dbraw/zinc/00/66/70/435006670.db2.gz NNQMXXAGQIVDHM-XYPHTWIQSA-N 2 2 308.416 3.457 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000556379901 435007610 /nfs/dbraw/zinc/00/76/10/435007610.db2.gz BVCQCNRIQGLNCK-UHFFFAOYSA-N 2 2 303.356 3.436 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000638670788 435068113 /nfs/dbraw/zinc/06/81/13/435068113.db2.gz KRDZKDXWKILDRA-BBRMVZONSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000638670788 435068116 /nfs/dbraw/zinc/06/81/16/435068116.db2.gz KRDZKDXWKILDRA-BBRMVZONSA-N 2 2 305.447 3.217 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)ccn1 ZINC000578453149 435085171 /nfs/dbraw/zinc/08/51/71/435085171.db2.gz HSZANKMVEPAYPX-MAUKXSAKSA-N 2 2 313.445 3.352 20 0 DGADLP Cc1[nH]c(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000578454379 435085997 /nfs/dbraw/zinc/08/59/97/435085997.db2.gz XUYYNNRIJJYSRV-INIZCTEOSA-N 2 2 312.461 3.342 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638788816 435088953 /nfs/dbraw/zinc/08/89/53/435088953.db2.gz XYIDJHLWDWBRET-INIZCTEOSA-N 2 2 317.477 3.013 20 0 DGADLP COc1cc(C[NH2+]CCc2cc[nH+]cc2C)c(Cl)cc1O ZINC000638792473 435089541 /nfs/dbraw/zinc/08/95/41/435089541.db2.gz CEWDEGMBVAWZJS-UHFFFAOYSA-N 2 2 306.793 3.090 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638456828 435036151 /nfs/dbraw/zinc/03/61/51/435036151.db2.gz GNQOOCGEGDBUMN-AZUAARDMSA-N 3 2 324.472 3.149 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638456828 435036153 /nfs/dbraw/zinc/03/61/53/435036153.db2.gz GNQOOCGEGDBUMN-AZUAARDMSA-N 3 2 324.472 3.149 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CC1(F)F ZINC000638595650 435056188 /nfs/dbraw/zinc/05/61/88/435056188.db2.gz UGPPOPHDPFUPBZ-KGLIPLIRSA-N 2 2 318.477 3.371 20 0 DGADLP CCC[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)OC ZINC000638788790 435090458 /nfs/dbraw/zinc/09/04/58/435090458.db2.gz VZASSHMQFAQVNU-MAUKXSAKSA-N 2 2 305.466 3.012 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000474487378 435148589 /nfs/dbraw/zinc/14/85/89/435148589.db2.gz KDBMKIVQBRDXLM-UPTPFMHGSA-N 2 2 312.498 3.064 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424220 435091694 /nfs/dbraw/zinc/09/16/94/435091694.db2.gz YACBMOPDKILNAA-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424220 435091697 /nfs/dbraw/zinc/09/16/97/435091697.db2.gz YACBMOPDKILNAA-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424220 435091702 /nfs/dbraw/zinc/09/17/02/435091702.db2.gz YACBMOPDKILNAA-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424220 435091704 /nfs/dbraw/zinc/09/17/04/435091704.db2.gz YACBMOPDKILNAA-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@@H+]1C ZINC000532219404 435149254 /nfs/dbraw/zinc/14/92/54/435149254.db2.gz VLMWPCJAVHRZCY-NVXWUHKLSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@H+]1C ZINC000532219404 435149258 /nfs/dbraw/zinc/14/92/58/435149258.db2.gz VLMWPCJAVHRZCY-NVXWUHKLSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCC1 ZINC000467306499 435116579 /nfs/dbraw/zinc/11/65/79/435116579.db2.gz GYQWRDYRIPFULR-ZDUSSCGKSA-N 2 2 300.368 3.322 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000467378972 435119995 /nfs/dbraw/zinc/11/99/95/435119995.db2.gz VHYFLLYFCAVZEU-CQSZACIVSA-N 2 2 312.379 3.488 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000467378972 435120000 /nfs/dbraw/zinc/12/00/00/435120000.db2.gz VHYFLLYFCAVZEU-CQSZACIVSA-N 2 2 312.379 3.488 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(-n3cccn3)c1)CCC2 ZINC000531866589 435123703 /nfs/dbraw/zinc/12/37/03/435123703.db2.gz AYOAXYYTTBMJEI-QGZVFWFLSA-N 2 2 321.428 3.044 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1nc2cc(F)ccc2o1 ZINC000639176006 435183730 /nfs/dbraw/zinc/18/37/30/435183730.db2.gz SWWHUINRXXGIDE-UHFFFAOYSA-N 2 2 305.397 3.275 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1nc2cc(F)ccc2o1 ZINC000639176006 435183734 /nfs/dbraw/zinc/18/37/34/435183734.db2.gz SWWHUINRXXGIDE-UHFFFAOYSA-N 2 2 305.397 3.275 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]CCC[C@H]2CCO2)c[nH+]1 ZINC000639180537 435186210 /nfs/dbraw/zinc/18/62/10/435186210.db2.gz ZUYTUEOLVGWKEL-YTQUADARSA-N 2 2 311.429 3.270 20 0 DGADLP CO[C@@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000639178678 435186575 /nfs/dbraw/zinc/18/65/75/435186575.db2.gz MEMLOUFKDDIKME-IBGZPJMESA-N 2 2 302.462 3.008 20 0 DGADLP CO[C@@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000639178678 435186577 /nfs/dbraw/zinc/18/65/77/435186577.db2.gz MEMLOUFKDDIKME-IBGZPJMESA-N 2 2 302.462 3.008 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]CCC[C@@H]2CCO2)c[nH+]1 ZINC000639180533 435187504 /nfs/dbraw/zinc/18/75/04/435187504.db2.gz ZUYTUEOLVGWKEL-NZSAHSFTSA-N 2 2 311.429 3.270 20 0 DGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493945035 435193187 /nfs/dbraw/zinc/19/31/87/435193187.db2.gz NEBGUBITBFEASM-DUQPFJRNSA-N 2 2 306.494 3.187 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000494479619 435195800 /nfs/dbraw/zinc/19/58/00/435195800.db2.gz WHFXDWYCBZKANW-LZQZEXGQSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000494479619 435195803 /nfs/dbraw/zinc/19/58/03/435195803.db2.gz WHFXDWYCBZKANW-LZQZEXGQSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1nocc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639227398 435204006 /nfs/dbraw/zinc/20/40/06/435204006.db2.gz MDWLBVBZXPDOCQ-PKOBYXMFSA-N 2 2 311.429 3.441 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025393 435204544 /nfs/dbraw/zinc/20/45/44/435204544.db2.gz IHXXUCDPIRBTOM-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025393 435204549 /nfs/dbraw/zinc/20/45/49/435204549.db2.gz IHXXUCDPIRBTOM-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025393 435204554 /nfs/dbraw/zinc/20/45/54/435204554.db2.gz IHXXUCDPIRBTOM-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@H]21 ZINC000533025393 435204558 /nfs/dbraw/zinc/20/45/58/435204558.db2.gz IHXXUCDPIRBTOM-RTBURBONSA-N 2 2 322.456 3.060 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532240217 435151353 /nfs/dbraw/zinc/15/13/53/435151353.db2.gz HVPZXMYZCWLBHH-HZPDHXFCSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000532248831 435151545 /nfs/dbraw/zinc/15/15/45/435151545.db2.gz DVTQXDQZUKTULB-QMMLZNLJSA-N 2 2 324.468 3.139 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000532248831 435151547 /nfs/dbraw/zinc/15/15/47/435151547.db2.gz DVTQXDQZUKTULB-QMMLZNLJSA-N 2 2 324.468 3.139 20 0 DGADLP CC1=C(C)C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000560194142 435153888 /nfs/dbraw/zinc/15/38/88/435153888.db2.gz AWCZSJDHSNZOIN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP CC1=C(C)C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000560194142 435153892 /nfs/dbraw/zinc/15/38/92/435153892.db2.gz AWCZSJDHSNZOIN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP CC1=C(C)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560194142 435153895 /nfs/dbraw/zinc/15/38/95/435153895.db2.gz AWCZSJDHSNZOIN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP CC1=C(C)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560194142 435153901 /nfs/dbraw/zinc/15/39/01/435153901.db2.gz AWCZSJDHSNZOIN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000639108267 435158684 /nfs/dbraw/zinc/15/86/84/435158684.db2.gz WWVQEJCSSJQYQP-XLIONFOSSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000639108267 435158689 /nfs/dbraw/zinc/15/86/89/435158689.db2.gz WWVQEJCSSJQYQP-XLIONFOSSA-N 2 2 313.489 3.119 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000532352628 435160761 /nfs/dbraw/zinc/16/07/61/435160761.db2.gz JUEMDQIJNGSVOP-FUHWJXTLSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000532352628 435160765 /nfs/dbraw/zinc/16/07/65/435160765.db2.gz JUEMDQIJNGSVOP-FUHWJXTLSA-N 2 2 311.429 3.091 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700261 435175473 /nfs/dbraw/zinc/17/54/73/435175473.db2.gz XNVGJLAFLPANGZ-DOTOQJQBSA-N 2 2 319.497 3.136 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000579700261 435175477 /nfs/dbraw/zinc/17/54/77/435175477.db2.gz XNVGJLAFLPANGZ-DOTOQJQBSA-N 2 2 319.497 3.136 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)C1CCOCC1)[NH+](C)C ZINC000475091562 435175838 /nfs/dbraw/zinc/17/58/38/435175838.db2.gz JDQDWDDCHTVMQV-FCEWJHQRSA-N 2 2 304.478 3.391 20 0 DGADLP c1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000532585475 435179560 /nfs/dbraw/zinc/17/95/60/435179560.db2.gz WXZDJQWVNAMBRJ-KRWDZBQOSA-N 2 2 322.456 3.061 20 0 DGADLP c1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000532585475 435179567 /nfs/dbraw/zinc/17/95/67/435179567.db2.gz WXZDJQWVNAMBRJ-KRWDZBQOSA-N 2 2 322.456 3.061 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574787 435180712 /nfs/dbraw/zinc/18/07/12/435180712.db2.gz OYFUQZLXSDXKBA-SUMWQHHRSA-N 2 2 317.864 3.367 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574787 435180717 /nfs/dbraw/zinc/18/07/17/435180717.db2.gz OYFUQZLXSDXKBA-SUMWQHHRSA-N 2 2 317.864 3.367 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000580302249 435220807 /nfs/dbraw/zinc/22/08/07/435220807.db2.gz CDUWDCURUKNQEZ-KXBFYZLASA-N 2 2 323.440 3.027 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C(F)(F)F ZINC000583872205 435252086 /nfs/dbraw/zinc/25/20/86/435252086.db2.gz SLXHHYOLKLZPKP-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C(F)(F)F ZINC000583872205 435252093 /nfs/dbraw/zinc/25/20/93/435252093.db2.gz SLXHHYOLKLZPKP-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000639330065 435246903 /nfs/dbraw/zinc/24/69/03/435246903.db2.gz QLZUQLYXASDOFL-UHIISALHSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330065 435246909 /nfs/dbraw/zinc/24/69/09/435246909.db2.gz QLZUQLYXASDOFL-UHIISALHSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000639330064 435247174 /nfs/dbraw/zinc/24/71/74/435247174.db2.gz QLZUQLYXASDOFL-SUNKGSAMSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330064 435247177 /nfs/dbraw/zinc/24/71/77/435247177.db2.gz QLZUQLYXASDOFL-SUNKGSAMSA-N 2 2 317.260 3.099 20 0 DGADLP Cc1ncc([C@@H](C)[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)n1 ZINC000639375040 435272231 /nfs/dbraw/zinc/27/22/31/435272231.db2.gz ODWOMDKRYIXVDG-OAHLLOKOSA-N 2 2 302.466 3.105 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC000639378410 435273408 /nfs/dbraw/zinc/27/34/08/435273408.db2.gz PZWXPKMWNIPRIK-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c[nH+]1 ZINC000639386438 435280675 /nfs/dbraw/zinc/28/06/75/435280675.db2.gz ISWMHXABZKXIGH-LJQANCHMSA-N 2 2 316.420 3.045 20 0 DGADLP C[N@H+](Cc1ccsc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249489 435285821 /nfs/dbraw/zinc/28/58/21/435285821.db2.gz PLUPYEZGVWJDRB-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP C[N@@H+](Cc1ccsc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249489 435285825 /nfs/dbraw/zinc/28/58/25/435285825.db2.gz PLUPYEZGVWJDRB-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1CCO[C@H](CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412730 435290981 /nfs/dbraw/zinc/29/09/81/435290981.db2.gz XAMNTKPRZKNGBM-HSALFYBXSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1CCO[C@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412730 435290984 /nfs/dbraw/zinc/29/09/84/435290984.db2.gz XAMNTKPRZKNGBM-HSALFYBXSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412743 435291088 /nfs/dbraw/zinc/29/10/88/435291088.db2.gz ZDWUCCVDQYWVND-FIYPYCPBSA-N 2 2 316.489 3.369 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412743 435291091 /nfs/dbraw/zinc/29/10/91/435291091.db2.gz ZDWUCCVDQYWVND-FIYPYCPBSA-N 2 2 316.489 3.369 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000639451859 435300615 /nfs/dbraw/zinc/30/06/15/435300615.db2.gz IPOQXCYGDUDYIQ-UHFFFAOYSA-N 2 2 306.425 3.062 20 0 DGADLP CN(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000534859597 435304190 /nfs/dbraw/zinc/30/41/90/435304190.db2.gz CSKTXXVOJYNMQZ-UHFFFAOYSA-N 2 2 310.445 3.094 20 0 DGADLP COCC1(C[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCC1 ZINC000643375897 435320386 /nfs/dbraw/zinc/32/03/86/435320386.db2.gz XENYEHVQGRLWIJ-SFHVURJKSA-N 2 2 302.462 3.230 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCCc3ccccc3C2)[nH+]c2ccccn12 ZINC000648496081 435321324 /nfs/dbraw/zinc/32/13/24/435321324.db2.gz HPYDXCXLAPISRM-GOSISDBHSA-N 2 2 305.425 3.414 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511541174 435323366 /nfs/dbraw/zinc/32/33/66/435323366.db2.gz KKNGSCIHJNDXSK-CQSZACIVSA-N 2 2 302.340 3.188 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(N2CCCC2)n1 ZINC000643471291 435332545 /nfs/dbraw/zinc/33/25/45/435332545.db2.gz OVCBZRLFPCVNBF-RTBURBONSA-N 2 2 322.456 3.225 20 0 DGADLP C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)c2[nH+]ccn21 ZINC000567604325 435332956 /nfs/dbraw/zinc/33/29/56/435332956.db2.gz RAAOICZUGHRJQZ-JEBQAFNWSA-N 2 2 306.413 3.332 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CCO2 ZINC000643482395 435334344 /nfs/dbraw/zinc/33/43/44/435334344.db2.gz GLAUPEAZDADUSZ-SJCJKPOMSA-N 2 2 313.401 3.067 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CCO2 ZINC000643481733 435334903 /nfs/dbraw/zinc/33/49/03/435334903.db2.gz QFYDTIOQTUGKTB-FGTMMUONSA-N 2 2 310.397 3.253 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Br)s1 ZINC000643500895 435336649 /nfs/dbraw/zinc/33/66/49/435336649.db2.gz HCAYSFKAHCBABY-NXEZZACHSA-N 2 2 303.269 3.303 20 0 DGADLP Fc1cccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535576183 435337105 /nfs/dbraw/zinc/33/71/05/435337105.db2.gz OUZOKQOMMHQBCU-UHFFFAOYSA-N 2 2 315.392 3.176 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Br)s1 ZINC000643500896 435337465 /nfs/dbraw/zinc/33/74/65/435337465.db2.gz HCAYSFKAHCBABY-UWVGGRQHSA-N 2 2 303.269 3.303 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000643502517 435338519 /nfs/dbraw/zinc/33/85/19/435338519.db2.gz IYPNARZLDMYBLE-RYQLBKOJSA-N 2 2 322.880 3.162 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000643502178 435339189 /nfs/dbraw/zinc/33/91/89/435339189.db2.gz ZGCBDEWTZLCBHI-TZMCWYRMSA-N 2 2 316.367 3.420 20 0 DGADLP FC(F)(F)Oc1cccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507916 435339327 /nfs/dbraw/zinc/33/93/27/435339327.db2.gz WAVZXJIBPMMCSB-OAHLLOKOSA-N 2 2 314.351 3.378 20 0 DGADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502899 435339670 /nfs/dbraw/zinc/33/96/70/435339670.db2.gz UXTAKAVAJPFGDI-KOLCDFICSA-N 2 2 315.280 3.230 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)cs1 ZINC000643502886 435340190 /nfs/dbraw/zinc/34/01/90/435340190.db2.gz UOENPPILXMTBAC-GXSJLCMTSA-N 2 2 303.269 3.303 20 0 DGADLP Cc1cc(C)c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c(C)[nH+]1 ZINC000639555660 435341495 /nfs/dbraw/zinc/34/14/95/435341495.db2.gz VWTCHMAQTJFRET-UHFFFAOYSA-N 2 2 305.466 3.037 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)F)c1ccccc1 ZINC000567679436 435343120 /nfs/dbraw/zinc/34/31/20/435343120.db2.gz WZIATAOHBJNRAV-SWLSCSKDSA-N 2 2 318.383 3.019 20 0 DGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCCO2 ZINC000643538132 435346601 /nfs/dbraw/zinc/34/66/01/435346601.db2.gz ZNXUWULKNPRWON-SLEUVZQESA-N 2 2 312.816 3.152 20 0 DGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)ccc2c1 ZINC000643535644 435347529 /nfs/dbraw/zinc/34/75/29/435347529.db2.gz HFMAHQWRTAZGKM-DQYPLSBCSA-N 2 2 302.393 3.199 20 0 DGADLP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)c(C)c2c1 ZINC000643537443 435347638 /nfs/dbraw/zinc/34/76/38/435347638.db2.gz IHNMHJGNEYARSJ-AVGNSLFASA-N 2 2 306.381 3.100 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546135 435349393 /nfs/dbraw/zinc/34/93/93/435349393.db2.gz JGGKKBOZEDQVRU-OLZOCXBDSA-N 2 2 322.424 3.168 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)cc1 ZINC000643538757 435350315 /nfs/dbraw/zinc/35/03/15/435350315.db2.gz UORITKGIDNFLEF-JENIJYKNSA-N 2 2 314.404 3.074 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000567771368 435353134 /nfs/dbraw/zinc/35/31/34/435353134.db2.gz BLOHJTVBJFNATC-UHFFFAOYSA-N 2 2 310.441 3.314 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC000512576343 435362762 /nfs/dbraw/zinc/36/27/62/435362762.db2.gz BRGUYNIDYUWNEU-BLLLJJGKSA-N 2 2 312.404 3.052 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC000512576343 435362768 /nfs/dbraw/zinc/36/27/68/435362768.db2.gz BRGUYNIDYUWNEU-BLLLJJGKSA-N 2 2 312.404 3.052 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000480030752 435363940 /nfs/dbraw/zinc/36/39/40/435363940.db2.gz RVSBDYFMJDTMLQ-ZWKOTPCHSA-N 2 2 304.478 3.311 20 0 DGADLP COc1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000639476099 435310952 /nfs/dbraw/zinc/31/09/52/435310952.db2.gz ABECHPZGGLFHTQ-INIZCTEOSA-N 2 2 322.412 3.277 20 0 DGADLP COc1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000639476099 435310955 /nfs/dbraw/zinc/31/09/55/435310955.db2.gz ABECHPZGGLFHTQ-INIZCTEOSA-N 2 2 322.412 3.277 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000568205636 435405184 /nfs/dbraw/zinc/40/51/84/435405184.db2.gz UJKINGHXWJIFAM-CQSZACIVSA-N 2 2 314.433 3.069 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000568205636 435405193 /nfs/dbraw/zinc/40/51/93/435405193.db2.gz UJKINGHXWJIFAM-CQSZACIVSA-N 2 2 314.433 3.069 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015635 435421466 /nfs/dbraw/zinc/42/14/66/435421466.db2.gz GZSYLOVZUSTEMC-DYVFJYSZSA-N 2 2 317.433 3.162 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015635 435421471 /nfs/dbraw/zinc/42/14/71/435421471.db2.gz GZSYLOVZUSTEMC-DYVFJYSZSA-N 2 2 317.433 3.162 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000480224392 435371931 /nfs/dbraw/zinc/37/19/31/435371931.db2.gz FANPKPCYFFWAON-BQFCYCMXSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccns3)C2)s1 ZINC000639633230 435375085 /nfs/dbraw/zinc/37/50/85/435375085.db2.gz UELJHTIEZOHVBS-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccns3)C2)s1 ZINC000639633230 435375087 /nfs/dbraw/zinc/37/50/87/435375087.db2.gz UELJHTIEZOHVBS-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccns3)C2)s1 ZINC000639633230 435375092 /nfs/dbraw/zinc/37/50/92/435375092.db2.gz UELJHTIEZOHVBS-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccns3)C2)s1 ZINC000639633230 435375096 /nfs/dbraw/zinc/37/50/96/435375096.db2.gz UELJHTIEZOHVBS-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000513116539 435376698 /nfs/dbraw/zinc/37/66/98/435376698.db2.gz HEDIEXXQGLDUGE-IHPCNDPISA-N 2 2 315.505 3.286 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000513116539 435376700 /nfs/dbraw/zinc/37/67/00/435376700.db2.gz HEDIEXXQGLDUGE-IHPCNDPISA-N 2 2 315.505 3.286 20 0 DGADLP Cc1cc(Nc2cccc(CC[N@@H+](C)C3CC3)c2)nc(C2CC2)[nH+]1 ZINC000537036474 435423445 /nfs/dbraw/zinc/42/34/45/435423445.db2.gz DRLHFXBJKRVZDM-UHFFFAOYSA-N 2 2 322.456 3.465 20 0 DGADLP Cc1cc(Nc2cccc(CC[N@H+](C)C3CC3)c2)nc(C2CC2)[nH+]1 ZINC000537036474 435423449 /nfs/dbraw/zinc/42/34/49/435423449.db2.gz DRLHFXBJKRVZDM-UHFFFAOYSA-N 2 2 322.456 3.465 20 0 DGADLP C[N@H+](C[C@H]1CC(C)(C)CO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639670231 435387503 /nfs/dbraw/zinc/38/75/03/435387503.db2.gz JAHNYUYMIVOZKR-CQSZACIVSA-N 2 2 322.415 3.150 20 0 DGADLP C[N@@H+](C[C@H]1CC(C)(C)CO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639670231 435387508 /nfs/dbraw/zinc/38/75/08/435387508.db2.gz JAHNYUYMIVOZKR-CQSZACIVSA-N 2 2 322.415 3.150 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C2CC2)c1 ZINC000513527403 435391018 /nfs/dbraw/zinc/39/10/18/435391018.db2.gz SKUZWNJSUCEKMR-JXFKEZNVSA-N 2 2 316.489 3.338 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C2CC2)c1 ZINC000513527403 435391025 /nfs/dbraw/zinc/39/10/25/435391025.db2.gz SKUZWNJSUCEKMR-JXFKEZNVSA-N 2 2 316.489 3.338 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164023 435397375 /nfs/dbraw/zinc/39/73/75/435397375.db2.gz HPTJSABALVDGEW-DYVFJYSZSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164023 435397381 /nfs/dbraw/zinc/39/73/81/435397381.db2.gz HPTJSABALVDGEW-DYVFJYSZSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164023 435397387 /nfs/dbraw/zinc/39/73/87/435397387.db2.gz HPTJSABALVDGEW-DYVFJYSZSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164023 435397393 /nfs/dbraw/zinc/39/73/93/435397393.db2.gz HPTJSABALVDGEW-DYVFJYSZSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169800 435398191 /nfs/dbraw/zinc/39/81/91/435398191.db2.gz UKOOWUBFPMIYCS-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169800 435398194 /nfs/dbraw/zinc/39/81/94/435398194.db2.gz UKOOWUBFPMIYCS-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169800 435398200 /nfs/dbraw/zinc/39/82/00/435398200.db2.gz UKOOWUBFPMIYCS-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169800 435398204 /nfs/dbraw/zinc/39/82/04/435398204.db2.gz UKOOWUBFPMIYCS-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164022 435398439 /nfs/dbraw/zinc/39/84/39/435398439.db2.gz HPTJSABALVDGEW-CXAGYDPISA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164022 435398444 /nfs/dbraw/zinc/39/84/44/435398444.db2.gz HPTJSABALVDGEW-CXAGYDPISA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164022 435398448 /nfs/dbraw/zinc/39/84/48/435398448.db2.gz HPTJSABALVDGEW-CXAGYDPISA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000568164022 435398454 /nfs/dbraw/zinc/39/84/54/435398454.db2.gz HPTJSABALVDGEW-CXAGYDPISA-N 2 2 310.869 3.178 20 0 DGADLP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000568703580 435461003 /nfs/dbraw/zinc/46/10/03/435461003.db2.gz LPUDJLLHCPNVOJ-KBXCAEBGSA-N 2 2 308.429 3.099 20 0 DGADLP C[C@@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000568740645 435465616 /nfs/dbraw/zinc/46/56/16/435465616.db2.gz PWNUXFIBCDOIRR-SJKOYZFVSA-N 2 2 318.852 3.101 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)[NH+](C)C)cc1F ZINC000482521368 435470249 /nfs/dbraw/zinc/47/02/49/435470249.db2.gz XZTVQJKVFKTIEE-JLJPHGGASA-N 2 2 308.441 3.400 20 0 DGADLP COCCC[N@H+](C)CCOc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000644615476 435470972 /nfs/dbraw/zinc/47/09/72/435470972.db2.gz OBXZXDUBMYGHJA-UHFFFAOYSA-N 2 2 314.429 3.404 20 0 DGADLP COCCC[N@@H+](C)CCOc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000644615476 435470976 /nfs/dbraw/zinc/47/09/76/435470976.db2.gz OBXZXDUBMYGHJA-UHFFFAOYSA-N 2 2 314.429 3.404 20 0 DGADLP CCO[C@@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C12CCC2 ZINC000515344825 435476632 /nfs/dbraw/zinc/47/66/32/435476632.db2.gz RRMHUBJSXPLDKV-HZPDHXFCSA-N 2 2 312.417 3.086 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)C1CCCCC1 ZINC000537982832 435478076 /nfs/dbraw/zinc/47/80/76/435478076.db2.gz NGXVXUCJBLFUHT-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)C1CCCCC1 ZINC000537982832 435478080 /nfs/dbraw/zinc/47/80/80/435478080.db2.gz NGXVXUCJBLFUHT-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)sc2c1 ZINC000569243797 435515384 /nfs/dbraw/zinc/51/53/84/435515384.db2.gz NPYHSKFHKBDQRO-INIZCTEOSA-N 2 2 305.422 3.011 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)sc2c1 ZINC000569243797 435515387 /nfs/dbraw/zinc/51/53/87/435515387.db2.gz NPYHSKFHKBDQRO-INIZCTEOSA-N 2 2 305.422 3.011 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CCc2csc(C)n2)CC1 ZINC000639987077 435482773 /nfs/dbraw/zinc/48/27/73/435482773.db2.gz VXJONPYWVUXWJR-UHFFFAOYSA-N 2 2 307.507 3.334 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964791 435487814 /nfs/dbraw/zinc/48/78/14/435487814.db2.gz SZOCYTBOVKKKQJ-FRQCXROJSA-N 2 2 318.505 3.472 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964791 435487817 /nfs/dbraw/zinc/48/78/17/435487817.db2.gz SZOCYTBOVKKKQJ-FRQCXROJSA-N 2 2 318.505 3.472 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000538392165 435497619 /nfs/dbraw/zinc/49/76/19/435497619.db2.gz NHEOGZZPJWVYNW-MAUKXSAKSA-N 2 2 317.477 3.428 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3)c2)[C@@H](C)C1 ZINC000484603025 435547809 /nfs/dbraw/zinc/54/78/09/435547809.db2.gz ITOPCBYLDUVFNY-FCEWJHQRSA-N 2 2 301.478 3.278 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3)c2)[C@@H](C)C1 ZINC000484603025 435547812 /nfs/dbraw/zinc/54/78/12/435547812.db2.gz ITOPCBYLDUVFNY-FCEWJHQRSA-N 2 2 301.478 3.278 20 0 DGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+]CCC2CCOCC2)cc1 ZINC000644999651 435554209 /nfs/dbraw/zinc/55/42/09/435554209.db2.gz JLLHWDBDPPNUAB-IBGZPJMESA-N 2 2 302.462 3.230 20 0 DGADLP CO[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204336 435591929 /nfs/dbraw/zinc/59/19/29/435591929.db2.gz DBIGXZRRRHQCLM-ROUUACIJSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204336 435591930 /nfs/dbraw/zinc/59/19/30/435591930.db2.gz DBIGXZRRRHQCLM-ROUUACIJSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H](C)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539691101 435562602 /nfs/dbraw/zinc/56/26/02/435562602.db2.gz GLQLFTBUANIPFP-GJZGRUSLSA-N 2 2 304.482 3.459 20 0 DGADLP c1ccc(-c2ncc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cn2)cc1 ZINC000569926869 435573131 /nfs/dbraw/zinc/57/31/31/435573131.db2.gz GUGPVPZRWUZLIZ-UHFFFAOYSA-N 2 2 322.456 3.108 20 0 DGADLP CCCC[NH+]1CCC(Nc2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645127134 435573191 /nfs/dbraw/zinc/57/31/91/435573191.db2.gz GWJWOYBNJLKZTE-UHFFFAOYSA-N 2 2 301.438 3.251 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CCC[N@@H+](C(C)C)C3)c2c1C ZINC000645143766 435577000 /nfs/dbraw/zinc/57/70/00/435577000.db2.gz UYJWWYFFHPDAMD-CQSZACIVSA-N 2 2 301.438 3.107 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CCC[N@H+](C(C)C)C3)c2c1C ZINC000645143766 435577004 /nfs/dbraw/zinc/57/70/04/435577004.db2.gz UYJWWYFFHPDAMD-CQSZACIVSA-N 2 2 301.438 3.107 20 0 DGADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000569985740 435577352 /nfs/dbraw/zinc/57/73/52/435577352.db2.gz RNBHWCQXDKLCRS-KBPBESRZSA-N 2 2 301.409 3.500 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000517145667 435578417 /nfs/dbraw/zinc/57/84/17/435578417.db2.gz PSJIADXHDHIIES-JQWIXIFHSA-N 2 2 315.244 3.043 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000517145667 435578424 /nfs/dbraw/zinc/57/84/24/435578424.db2.gz PSJIADXHDHIIES-JQWIXIFHSA-N 2 2 315.244 3.043 20 0 DGADLP c1nc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898671 435579291 /nfs/dbraw/zinc/57/92/91/435579291.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898671 435579297 /nfs/dbraw/zinc/57/92/97/435579297.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898671 435579299 /nfs/dbraw/zinc/57/92/99/435579299.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898671 435579302 /nfs/dbraw/zinc/57/93/02/435579302.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898671 435579307 /nfs/dbraw/zinc/57/93/07/435579307.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898671 435579312 /nfs/dbraw/zinc/57/93/12/435579312.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898671 435579321 /nfs/dbraw/zinc/57/93/21/435579321.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898671 435579322 /nfs/dbraw/zinc/57/93/22/435579322.db2.gz BLYQQEYDOVUZTH-HNAYVOBHSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414933 435582589 /nfs/dbraw/zinc/58/25/89/435582589.db2.gz AEFHKOUPFNXOFH-RBSFLKMASA-N 2 2 305.466 3.497 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414933 435582592 /nfs/dbraw/zinc/58/25/92/435582592.db2.gz AEFHKOUPFNXOFH-RBSFLKMASA-N 2 2 305.466 3.497 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000570030223 435582732 /nfs/dbraw/zinc/58/27/32/435582732.db2.gz VQXPXZMLHNRRPN-OXQOHEQNSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000570030223 435582734 /nfs/dbraw/zinc/58/27/34/435582734.db2.gz VQXPXZMLHNRRPN-OXQOHEQNSA-N 2 2 314.473 3.249 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000649417161 435583024 /nfs/dbraw/zinc/58/30/24/435583024.db2.gz ZGCXIKHNYQJFGP-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@H]1[NH3+] ZINC000649417161 435583029 /nfs/dbraw/zinc/58/30/29/435583029.db2.gz ZGCXIKHNYQJFGP-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000649417162 435583040 /nfs/dbraw/zinc/58/30/40/435583040.db2.gz ZGCXIKHNYQJFGP-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000649417162 435583043 /nfs/dbraw/zinc/58/30/43/435583043.db2.gz ZGCXIKHNYQJFGP-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(Cc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416562 435583086 /nfs/dbraw/zinc/58/30/86/435583086.db2.gz DSBFVOWBCNRSFM-RDJZCZTQSA-N 2 2 315.486 3.293 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416562 435583089 /nfs/dbraw/zinc/58/30/89/435583089.db2.gz DSBFVOWBCNRSFM-RDJZCZTQSA-N 2 2 315.486 3.293 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1F ZINC000570051479 435586337 /nfs/dbraw/zinc/58/63/37/435586337.db2.gz YYEFWRKZBGBDEE-SFHVURJKSA-N 2 2 302.393 3.186 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484487156 435545996 /nfs/dbraw/zinc/54/59/96/435545996.db2.gz LUYSZSPRSYYHPH-QZTJIDSGSA-N 2 2 324.509 3.420 20 0 DGADLP CC(C)CO[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000540595254 435610533 /nfs/dbraw/zinc/61/05/33/435610533.db2.gz XQXZVOXYDQMWLA-SJORKVTESA-N 2 2 315.461 3.306 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547595 435621402 /nfs/dbraw/zinc/62/14/02/435621402.db2.gz XLODVMONWNKTET-WBVHZDCISA-N 2 2 305.466 3.173 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547595 435621406 /nfs/dbraw/zinc/62/14/06/435621406.db2.gz XLODVMONWNKTET-WBVHZDCISA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547595 435621411 /nfs/dbraw/zinc/62/14/11/435621411.db2.gz XLODVMONWNKTET-WBVHZDCISA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)C[C@H]1C ZINC000649547595 435621415 /nfs/dbraw/zinc/62/14/15/435621415.db2.gz XLODVMONWNKTET-WBVHZDCISA-N 2 2 305.466 3.173 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000649574565 435629539 /nfs/dbraw/zinc/62/95/39/435629539.db2.gz OFLNVBPCHQOFSE-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000649574565 435629542 /nfs/dbraw/zinc/62/95/42/435629542.db2.gz OFLNVBPCHQOFSE-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000540321085 435594883 /nfs/dbraw/zinc/59/48/83/435594883.db2.gz TZPCXVGOBBHTOA-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000540321085 435594886 /nfs/dbraw/zinc/59/48/86/435594886.db2.gz TZPCXVGOBBHTOA-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccc(F)cc2[nH]1 ZINC000488349038 435636292 /nfs/dbraw/zinc/63/62/92/435636292.db2.gz JZAWUKVPQYVARH-SJORKVTESA-N 2 2 301.409 3.366 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccc(F)cc2[nH]1 ZINC000488349038 435636298 /nfs/dbraw/zinc/63/62/98/435636298.db2.gz JZAWUKVPQYVARH-SJORKVTESA-N 2 2 301.409 3.366 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccc(F)cc2[nH]1 ZINC000488349038 435636302 /nfs/dbraw/zinc/63/63/02/435636302.db2.gz JZAWUKVPQYVARH-SJORKVTESA-N 2 2 301.409 3.366 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccc(F)cc2[nH]1 ZINC000488349038 435636307 /nfs/dbraw/zinc/63/63/07/435636307.db2.gz JZAWUKVPQYVARH-SJORKVTESA-N 2 2 301.409 3.366 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000649488938 435604527 /nfs/dbraw/zinc/60/45/27/435604527.db2.gz FXGDRGAFSBTDKV-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499187 435653555 /nfs/dbraw/zinc/65/35/55/435653555.db2.gz HDYAQDPLXRZMIS-IRXDYDNUSA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499187 435653556 /nfs/dbraw/zinc/65/35/56/435653556.db2.gz HDYAQDPLXRZMIS-IRXDYDNUSA-N 2 2 304.478 3.179 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000570832065 435653633 /nfs/dbraw/zinc/65/36/33/435653633.db2.gz OUSWMAFQINJCRC-MSOLQXFVSA-N 2 2 323.440 3.312 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC000649657750 435658027 /nfs/dbraw/zinc/65/80/27/435658027.db2.gz LJYBUBXKYIBLFD-LJQANCHMSA-N 2 2 314.473 3.296 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC000649657750 435658029 /nfs/dbraw/zinc/65/80/29/435658029.db2.gz LJYBUBXKYIBLFD-LJQANCHMSA-N 2 2 314.473 3.296 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC34CCCC4)C2)cc1 ZINC000649657750 435658033 /nfs/dbraw/zinc/65/80/33/435658033.db2.gz LJYBUBXKYIBLFD-LJQANCHMSA-N 2 2 314.473 3.296 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC34CCCC4)C2)cc1 ZINC000649657750 435658035 /nfs/dbraw/zinc/65/80/35/435658035.db2.gz LJYBUBXKYIBLFD-LJQANCHMSA-N 2 2 314.473 3.296 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000570985235 435668283 /nfs/dbraw/zinc/66/82/83/435668283.db2.gz GOMHKZWADKBQPL-BEFAXECRSA-N 2 2 310.445 3.273 20 0 DGADLP CCCCNC(=O)C1([NH2+]CCc2cc[nH+]cc2C)CCCCC1 ZINC000519148870 435671786 /nfs/dbraw/zinc/67/17/86/435671786.db2.gz VAAAXPHTLJRAGV-UHFFFAOYSA-N 2 2 317.477 3.141 20 0 DGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc(C[NH+](CC)CC)nn1 ZINC000641111725 435694322 /nfs/dbraw/zinc/69/43/22/435694322.db2.gz FSUOCTXQGSMCJB-UHFFFAOYSA-N 2 2 315.465 3.249 20 0 DGADLP Cc1nc(C2([NH2+]CCc3cc[nH+]cc3C)CCCCCC2)no1 ZINC000645820958 435698297 /nfs/dbraw/zinc/69/82/97/435698297.db2.gz FJVIKCHOIUEAST-UHFFFAOYSA-N 2 2 314.433 3.463 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655704167 435734869 /nfs/dbraw/zinc/73/48/69/435734869.db2.gz RPUMHERYQBZJNF-MSOLQXFVSA-N 2 2 306.425 3.120 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655707861 435739568 /nfs/dbraw/zinc/73/95/68/435739568.db2.gz GIQUKGBSSCZUIQ-VQTJNVASSA-N 2 2 316.489 3.241 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc(C)cs1 ZINC000655713134 435742101 /nfs/dbraw/zinc/74/21/01/435742101.db2.gz VZMINXDKGHFVEB-HOTGVXAUSA-N 2 2 323.506 3.136 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000655710635 435743725 /nfs/dbraw/zinc/74/37/25/435743725.db2.gz BEASTNNKKVTOTD-AZUAARDMSA-N 2 2 314.473 3.289 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000655722664 435749629 /nfs/dbraw/zinc/74/96/29/435749629.db2.gz FXCPYXZVWRANEC-PBHICJAKSA-N 2 2 306.425 3.038 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664659659 435756205 /nfs/dbraw/zinc/75/62/05/435756205.db2.gz ZUJGAMONQCSBCN-QGZVFWFLSA-N 2 2 313.445 3.090 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000655733027 435757455 /nfs/dbraw/zinc/75/74/55/435757455.db2.gz IDLULZQSEDBMOU-YGWPLHOASA-N 2 2 314.473 3.022 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938175 435761180 /nfs/dbraw/zinc/76/11/80/435761180.db2.gz BKELGDOBVSPOTI-SOHNTWGLSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938175 435761186 /nfs/dbraw/zinc/76/11/86/435761186.db2.gz BKELGDOBVSPOTI-SOHNTWGLSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1c[nH+]ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000641543952 435761711 /nfs/dbraw/zinc/76/17/11/435761711.db2.gz MILTXSMJQHJZPM-UHFFFAOYSA-N 2 2 300.381 3.138 20 0 DGADLP C[N@H+](CCC[C@H]1CCOC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000645926757 435722056 /nfs/dbraw/zinc/72/20/56/435722056.db2.gz SXMYWVOLBQKVPP-AWEZNQCLSA-N 2 2 322.415 3.152 20 0 DGADLP C[N@@H+](CCC[C@H]1CCOC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000645926757 435722059 /nfs/dbraw/zinc/72/20/59/435722059.db2.gz SXMYWVOLBQKVPP-AWEZNQCLSA-N 2 2 322.415 3.152 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000550095787 435791446 /nfs/dbraw/zinc/79/14/46/435791446.db2.gz DOYCBAAEIUFEMC-FGTMMUONSA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000550095787 435791449 /nfs/dbraw/zinc/79/14/49/435791449.db2.gz DOYCBAAEIUFEMC-FGTMMUONSA-N 2 2 324.509 3.210 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000651690344 435793451 /nfs/dbraw/zinc/79/34/51/435793451.db2.gz BAWGOAQAHKMHDT-INIZCTEOSA-N 2 2 323.444 3.112 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCCC2)O1 ZINC000646134191 435794887 /nfs/dbraw/zinc/79/48/87/435794887.db2.gz RVEZNVYATGHMSQ-INIZCTEOSA-N 2 2 311.429 3.406 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCCC2)O1 ZINC000646134191 435794890 /nfs/dbraw/zinc/79/48/90/435794890.db2.gz RVEZNVYATGHMSQ-INIZCTEOSA-N 2 2 311.429 3.406 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000550259814 435797902 /nfs/dbraw/zinc/79/79/02/435797902.db2.gz ULSBXEKPAWJUOA-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000550259814 435797906 /nfs/dbraw/zinc/79/79/06/435797906.db2.gz ULSBXEKPAWJUOA-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cnc2ccccc2n1 ZINC000660548405 435797972 /nfs/dbraw/zinc/79/79/72/435797972.db2.gz MIPRPFFXYFYTTD-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cnc2ccccc2n1 ZINC000660548405 435797976 /nfs/dbraw/zinc/79/79/76/435797976.db2.gz MIPRPFFXYFYTTD-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cnc2ccccc2n1)Cc1ccco1 ZINC000660548405 435797978 /nfs/dbraw/zinc/79/79/78/435797978.db2.gz MIPRPFFXYFYTTD-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cnc2ccccc2n1)Cc1ccco1 ZINC000660548405 435797982 /nfs/dbraw/zinc/79/79/82/435797982.db2.gz MIPRPFFXYFYTTD-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP C[NH+]1CCC(CCO)([NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000655791297 435800016 /nfs/dbraw/zinc/80/00/16/435800016.db2.gz LLWLSWSOVUWXOZ-UHFFFAOYSA-N 2 2 322.836 3.023 20 0 DGADLP CCCOc1c(C[NH2+]C2CC([NH+](C)C)C2)cccc1OCC ZINC000655791023 435800039 /nfs/dbraw/zinc/80/00/39/435800039.db2.gz XTYLIWFDHFLUTR-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP Cc1cc(Br)ccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000641771836 435815618 /nfs/dbraw/zinc/81/56/18/435815618.db2.gz JDWDFKRDXWSGDD-LBPRGKRZSA-N 2 2 308.223 3.305 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000551006701 435815596 /nfs/dbraw/zinc/81/55/96/435815596.db2.gz IKMHEYLKSDUFQJ-OALUTQOASA-N 3 2 312.461 3.088 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000551006701 435815603 /nfs/dbraw/zinc/81/56/03/435815603.db2.gz IKMHEYLKSDUFQJ-OALUTQOASA-N 3 2 312.461 3.088 20 0 DGADLP COc1cc(OC)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC000651759946 435817751 /nfs/dbraw/zinc/81/77/51/435817751.db2.gz IKWSBVFBASSLIQ-CQSZACIVSA-N 2 2 324.440 3.197 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473667 435766282 /nfs/dbraw/zinc/76/62/82/435766282.db2.gz SIJSPHOHEAZUDU-AZUAARDMSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473667 435766290 /nfs/dbraw/zinc/76/62/90/435766290.db2.gz SIJSPHOHEAZUDU-AZUAARDMSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060471 435775250 /nfs/dbraw/zinc/77/52/50/435775250.db2.gz WZPAQWHTENGMIJ-VQIMIIECSA-N 2 2 320.452 3.116 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060471 435775256 /nfs/dbraw/zinc/77/52/56/435775256.db2.gz WZPAQWHTENGMIJ-VQIMIIECSA-N 2 2 320.452 3.116 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1OC ZINC000520839985 435775921 /nfs/dbraw/zinc/77/59/21/435775921.db2.gz ZMEDTMFKHZQEAU-CYBMUJFWSA-N 2 2 317.433 3.377 20 0 DGADLP C[NH+](C)C[C@H](N[C@H]1CCCn2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000655766607 435784225 /nfs/dbraw/zinc/78/42/25/435784225.db2.gz SJCSCTFCEPGBES-HOTGVXAUSA-N 2 2 318.852 3.264 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655763574 435784474 /nfs/dbraw/zinc/78/44/74/435784474.db2.gz QMQSAHOUKZSXHD-ZBFHGGJFSA-N 2 2 320.502 3.312 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000641803422 435828252 /nfs/dbraw/zinc/82/82/52/435828252.db2.gz FNJPXUMDLQZVAI-ZWKOPEQDSA-N 2 2 320.824 3.166 20 0 DGADLP CCCc1nc(C)c(C[N@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000641800199 435828562 /nfs/dbraw/zinc/82/85/62/435828562.db2.gz YOOSMYKYESXJSJ-UHFFFAOYSA-N 2 2 301.434 3.287 20 0 DGADLP CCCc1nc(C)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000641800199 435828568 /nfs/dbraw/zinc/82/85/68/435828568.db2.gz YOOSMYKYESXJSJ-UHFFFAOYSA-N 2 2 301.434 3.287 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000641803420 435828738 /nfs/dbraw/zinc/82/87/38/435828738.db2.gz FNJPXUMDLQZVAI-XDTLVQLUSA-N 2 2 320.824 3.166 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cs2)c1 ZINC000641804258 435829437 /nfs/dbraw/zinc/82/94/37/435829437.db2.gz XHXICEUAICVFDN-HUUCEWRRSA-N 2 2 317.458 3.034 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655838111 435830430 /nfs/dbraw/zinc/83/04/30/435830430.db2.gz IRUZWQFOULSBLI-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655838111 435830432 /nfs/dbraw/zinc/83/04/32/435830432.db2.gz IRUZWQFOULSBLI-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000655838541 435830603 /nfs/dbraw/zinc/83/06/03/435830603.db2.gz OJOFQDQJJGTYGI-UWVAXJGDSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000655838541 435830611 /nfs/dbraw/zinc/83/06/11/435830611.db2.gz OJOFQDQJJGTYGI-UWVAXJGDSA-N 2 2 309.457 3.438 20 0 DGADLP c1cn(CCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000572522615 435835571 /nfs/dbraw/zinc/83/55/71/435835571.db2.gz ILTPWUFYAJXOAH-KRWDZBQOSA-N 2 2 301.459 3.281 20 0 DGADLP c1cn(CCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000572522615 435835582 /nfs/dbraw/zinc/83/55/82/435835582.db2.gz ILTPWUFYAJXOAH-KRWDZBQOSA-N 2 2 301.459 3.281 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845456 435836429 /nfs/dbraw/zinc/83/64/29/435836429.db2.gz HJROAHWGZGGAOI-FZMZJTMJSA-N 2 2 314.351 3.114 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845456 435836435 /nfs/dbraw/zinc/83/64/35/435836435.db2.gz HJROAHWGZGGAOI-FZMZJTMJSA-N 2 2 314.351 3.114 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655848164 435838944 /nfs/dbraw/zinc/83/89/44/435838944.db2.gz GFSKQTWFYCNGAQ-UXHICEINSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655848164 435838951 /nfs/dbraw/zinc/83/89/51/435838951.db2.gz GFSKQTWFYCNGAQ-UXHICEINSA-N 2 2 313.489 3.262 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848962 435839157 /nfs/dbraw/zinc/83/91/57/435839157.db2.gz MXITZUYNDQYXNM-KSZLIROESA-N 2 2 318.436 3.428 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848962 435839161 /nfs/dbraw/zinc/83/91/61/435839161.db2.gz MXITZUYNDQYXNM-KSZLIROESA-N 2 2 318.436 3.428 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850394 435841723 /nfs/dbraw/zinc/84/17/23/435841723.db2.gz IAFRUCJDFLQGKG-NEWSRXKRSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850394 435841729 /nfs/dbraw/zinc/84/17/29/435841729.db2.gz IAFRUCJDFLQGKG-NEWSRXKRSA-N 2 2 301.478 3.399 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1Br)C2 ZINC000660654024 435843070 /nfs/dbraw/zinc/84/30/70/435843070.db2.gz FHNBZBVFQWHVCX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1Br)C2 ZINC000660654024 435843076 /nfs/dbraw/zinc/84/30/76/435843076.db2.gz FHNBZBVFQWHVCX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1Br)C2 ZINC000660654024 435843080 /nfs/dbraw/zinc/84/30/80/435843080.db2.gz FHNBZBVFQWHVCX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1Br)C2 ZINC000660654024 435843086 /nfs/dbraw/zinc/84/30/86/435843086.db2.gz FHNBZBVFQWHVCX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655855738 435844950 /nfs/dbraw/zinc/84/49/50/435844950.db2.gz HOPGLHOLPQHAHR-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655855738 435844955 /nfs/dbraw/zinc/84/49/55/435844955.db2.gz HOPGLHOLPQHAHR-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP COc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c(F)c1 ZINC000651846363 435845361 /nfs/dbraw/zinc/84/53/61/435845361.db2.gz PCGUYIIGDLZTDB-UHFFFAOYSA-N 2 2 313.376 3.123 20 0 DGADLP COc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655855364 435846210 /nfs/dbraw/zinc/84/62/10/435846210.db2.gz FXOZNJTVUCXMKF-IAGOWNOFSA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655855364 435846216 /nfs/dbraw/zinc/84/62/16/435846216.db2.gz FXOZNJTVUCXMKF-IAGOWNOFSA-N 2 2 318.461 3.119 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000651865931 435849238 /nfs/dbraw/zinc/84/92/38/435849238.db2.gz NHNAMOGWEWAULY-UHFFFAOYSA-N 3 2 309.542 3.351 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000651865931 435849249 /nfs/dbraw/zinc/84/92/49/435849249.db2.gz NHNAMOGWEWAULY-UHFFFAOYSA-N 3 2 309.542 3.351 20 0 DGADLP CC[C@@]1(C)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551700002 435850358 /nfs/dbraw/zinc/85/03/58/435850358.db2.gz RGSYXJQIZJTKKT-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@]1(C)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551700002 435850362 /nfs/dbraw/zinc/85/03/62/435850362.db2.gz RGSYXJQIZJTKKT-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@]1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551700002 435850366 /nfs/dbraw/zinc/85/03/66/435850366.db2.gz RGSYXJQIZJTKKT-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@]1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551700002 435850371 /nfs/dbraw/zinc/85/03/71/435850371.db2.gz RGSYXJQIZJTKKT-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP CCn1nc(C[NH2+]CCC[N@H+](C)CC(C)C)c2ccccc21 ZINC000651866056 435851391 /nfs/dbraw/zinc/85/13/91/435851391.db2.gz SDVGLXSQVWJABN-UHFFFAOYSA-N 2 2 302.466 3.124 20 0 DGADLP CCn1nc(C[NH2+]CCC[N@@H+](C)CC(C)C)c2ccccc21 ZINC000651866056 435851397 /nfs/dbraw/zinc/85/13/97/435851397.db2.gz SDVGLXSQVWJABN-UHFFFAOYSA-N 2 2 302.466 3.124 20 0 DGADLP c1ccc(C[NH2+]C2CC[NH+](CCOCC3CCC3)CC2)cc1 ZINC000660678780 435858190 /nfs/dbraw/zinc/85/81/90/435858190.db2.gz DBQNADXLXAEGDH-UHFFFAOYSA-N 2 2 302.462 3.057 20 0 DGADLP FC1(F)CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000572746078 435862705 /nfs/dbraw/zinc/86/27/05/435862705.db2.gz VYDJICHTWAAMTK-IAGOWNOFSA-N 2 2 308.416 3.471 20 0 DGADLP FC1(F)CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000572746078 435862710 /nfs/dbraw/zinc/86/27/10/435862710.db2.gz VYDJICHTWAAMTK-IAGOWNOFSA-N 2 2 308.416 3.471 20 0 DGADLP Cc1cc[nH+]cc1Cc1noc([C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000664985167 435863403 /nfs/dbraw/zinc/86/34/03/435863403.db2.gz QQLHHVWNHXRCOX-IHRRRGAJSA-N 2 2 300.406 3.298 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722442 435869886 /nfs/dbraw/zinc/86/98/86/435869886.db2.gz IFZNFMHSIKGSAV-OKYOBFRVSA-N 2 2 320.521 3.245 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1 ZINC000660722442 435869891 /nfs/dbraw/zinc/86/98/91/435869891.db2.gz IFZNFMHSIKGSAV-OKYOBFRVSA-N 2 2 320.521 3.245 20 0 DGADLP COc1cc(OC)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1F ZINC000651785555 435825147 /nfs/dbraw/zinc/82/51/47/435825147.db2.gz JMKJWFWQJQDBFQ-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2cccc(Br)c21 ZINC000665276817 435935895 /nfs/dbraw/zinc/93/58/95/435935895.db2.gz NJIIRHZSQBPGND-IGFMQIDPSA-N 2 2 321.262 3.339 20 0 DGADLP C[C@@]1([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000652038757 435894201 /nfs/dbraw/zinc/89/42/01/435894201.db2.gz HNOWTBPLWHPWEB-HXUWFJFHSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@@]1([NH2+]Cc2[nH]nc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000652038757 435894206 /nfs/dbraw/zinc/89/42/06/435894206.db2.gz HNOWTBPLWHPWEB-HXUWFJFHSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@H]1CC[C@@H](C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)O1 ZINC000660857856 435911467 /nfs/dbraw/zinc/91/14/67/435911467.db2.gz XDKWOKKKIBAENL-HOCLYGCPSA-N 2 2 313.445 3.385 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000652157814 435916350 /nfs/dbraw/zinc/91/63/50/435916350.db2.gz LUBYVVSNMIEECI-INIZCTEOSA-N 2 2 303.450 3.226 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000665250051 435928487 /nfs/dbraw/zinc/92/84/87/435928487.db2.gz GVPQFKPRSDOYCU-CDHQVMDDSA-N 2 2 310.441 3.492 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cn1 ZINC000665250428 435928516 /nfs/dbraw/zinc/92/85/16/435928516.db2.gz QUDMRYJDFDGBQR-KFKAGJAMSA-N 2 2 312.461 3.260 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000665254565 435930312 /nfs/dbraw/zinc/93/03/12/435930312.db2.gz TYLUYFVWNBAZGQ-MKXGPGLRSA-N 2 2 320.452 3.064 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccncc1 ZINC000665254542 435930485 /nfs/dbraw/zinc/93/04/85/435930485.db2.gz SUPNSIKYTOLCSW-CEXWTWQISA-N 2 2 313.420 3.407 20 0 DGADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258853 435933302 /nfs/dbraw/zinc/93/33/02/435933302.db2.gz NGIZMVGYYOBIFC-MORSLUCNSA-N 2 2 302.393 3.085 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)sc1Br ZINC000665280271 435937477 /nfs/dbraw/zinc/93/74/77/435937477.db2.gz XMLIQAOPNKVLLC-TTXORMCVSA-N 2 2 315.280 3.222 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCC2 ZINC000665278895 435938149 /nfs/dbraw/zinc/93/81/49/435938149.db2.gz QYFNRXXMVRMNHA-AJQRCPHMSA-N 2 2 321.262 3.168 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000665296485 435942744 /nfs/dbraw/zinc/94/27/44/435942744.db2.gz TVSSCMYSPSHBRO-QWHCGFSZSA-N 2 2 303.475 3.301 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000665297183 435942966 /nfs/dbraw/zinc/94/29/66/435942966.db2.gz AOLAOJFJWGYBOQ-PRHODGIISA-N 2 2 303.269 3.159 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000665296334 435943123 /nfs/dbraw/zinc/94/31/23/435943123.db2.gz QYXWSAAZPCTLQE-IFXJQAMLSA-N 2 2 316.420 3.316 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402360 435944254 /nfs/dbraw/zinc/94/42/54/435944254.db2.gz FNGCNYROTRJDRU-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402360 435944257 /nfs/dbraw/zinc/94/42/57/435944257.db2.gz FNGCNYROTRJDRU-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402360 435944260 /nfs/dbraw/zinc/94/42/60/435944260.db2.gz FNGCNYROTRJDRU-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)on1 ZINC000656402360 435944263 /nfs/dbraw/zinc/94/42/63/435944263.db2.gz FNGCNYROTRJDRU-LEAZDLGRSA-N 2 2 323.440 3.017 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000665300519 435944733 /nfs/dbraw/zinc/94/47/33/435944733.db2.gz DGSDSJZPARVOAN-YJBOKZPZSA-N 2 2 322.468 3.240 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408265 435944973 /nfs/dbraw/zinc/94/49/73/435944973.db2.gz IZJRYKGVCLRJQW-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408265 435944975 /nfs/dbraw/zinc/94/49/75/435944975.db2.gz IZJRYKGVCLRJQW-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408265 435944977 /nfs/dbraw/zinc/94/49/77/435944977.db2.gz IZJRYKGVCLRJQW-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)no1 ZINC000656408265 435944979 /nfs/dbraw/zinc/94/49/79/435944979.db2.gz IZJRYKGVCLRJQW-FFGOWVMKSA-N 2 2 323.440 3.017 20 0 DGADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)CCc1ccc(F)cc1 ZINC000656424587 435945177 /nfs/dbraw/zinc/94/51/77/435945177.db2.gz DLQDJQJAZKERML-UHFFFAOYSA-N 2 2 303.425 3.302 20 0 DGADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)CCc1ccc(F)cc1 ZINC000656424587 435945180 /nfs/dbraw/zinc/94/51/80/435945180.db2.gz DLQDJQJAZKERML-UHFFFAOYSA-N 2 2 303.425 3.302 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647286378 436000727 /nfs/dbraw/zinc/00/07/27/436000727.db2.gz RQUOLLGEKXMCLR-HNNXBMFYSA-N 2 2 304.482 3.135 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3cc4n(n3)CCCC4)[nH+]c12 ZINC000647290529 436002745 /nfs/dbraw/zinc/00/27/45/436002745.db2.gz JNCDXQKIMVRDRS-HNNXBMFYSA-N 2 2 323.444 3.069 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294565 436004558 /nfs/dbraw/zinc/00/45/58/436004558.db2.gz HYPLCIWEOKNNAT-IRXDYDNUSA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294565 436004561 /nfs/dbraw/zinc/00/45/61/436004561.db2.gz HYPLCIWEOKNNAT-IRXDYDNUSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000650740033 436012229 /nfs/dbraw/zinc/01/22/29/436012229.db2.gz FHKHGCDZYVQAQW-KGLIPLIRSA-N 2 2 308.853 3.076 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000656700085 436014288 /nfs/dbraw/zinc/01/42/88/436014288.db2.gz YMTQIOMLDSSYDO-SFHVURJKSA-N 2 2 320.452 3.006 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000656700085 436014291 /nfs/dbraw/zinc/01/42/91/436014291.db2.gz YMTQIOMLDSSYDO-SFHVURJKSA-N 2 2 320.452 3.006 20 0 DGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000647343800 436026287 /nfs/dbraw/zinc/02/62/87/436026287.db2.gz CIZZMZFUEALOCU-XKQJLSEDSA-N 2 2 315.486 3.448 20 0 DGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000647343800 436026294 /nfs/dbraw/zinc/02/62/94/436026294.db2.gz CIZZMZFUEALOCU-XKQJLSEDSA-N 2 2 315.486 3.448 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)s1 ZINC000647364253 436031854 /nfs/dbraw/zinc/03/18/54/436031854.db2.gz WJRABMBIDJPSNU-GFCCVEGCSA-N 2 2 300.431 3.301 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CC[NH+](C(C)(C)C)CC3)cn21 ZINC000647364512 436032240 /nfs/dbraw/zinc/03/22/40/436032240.db2.gz BTRVUKYEYURARC-UHFFFAOYSA-N 3 2 314.477 3.038 20 0 DGADLP CCc1ccc(C)[nH+]c1NCc1ccc(N(C)CCOC)[nH+]c1 ZINC000656778762 436040852 /nfs/dbraw/zinc/04/08/52/436040852.db2.gz KWHQQAOEGWKSJJ-UHFFFAOYSA-N 2 2 314.433 3.042 20 0 DGADLP CCCOc1c(Cl)cc(C[N@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656783898 436043740 /nfs/dbraw/zinc/04/37/40/436043740.db2.gz WAWQKUAYSULERO-UHFFFAOYSA-N 2 2 314.857 3.307 20 0 DGADLP CCCOc1c(Cl)cc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656783898 436043742 /nfs/dbraw/zinc/04/37/42/436043742.db2.gz WAWQKUAYSULERO-UHFFFAOYSA-N 2 2 314.857 3.307 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000656790258 436046907 /nfs/dbraw/zinc/04/69/07/436046907.db2.gz MIUQRPOQCSBAGN-QZTJIDSGSA-N 2 2 302.368 3.200 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788368 436048201 /nfs/dbraw/zinc/04/82/01/436048201.db2.gz LOVPTGFLKDOXFZ-UHFFFAOYSA-N 2 2 303.233 3.363 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cnc(C4CC4)s3)cn21 ZINC000647262679 435995859 /nfs/dbraw/zinc/99/58/59/435995859.db2.gz JYIMXPDHFBONRK-UHFFFAOYSA-N 2 2 312.442 3.309 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3scnc3C3CC3)cn21 ZINC000647262759 435996131 /nfs/dbraw/zinc/99/61/31/435996131.db2.gz OIXJXYNKPTXSSO-UHFFFAOYSA-N 2 2 312.442 3.309 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000647508072 436069294 /nfs/dbraw/zinc/06/92/94/436069294.db2.gz GNZCYRGEXPHVDV-RHSMWYFYSA-N 2 2 316.470 3.272 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000647508072 436069300 /nfs/dbraw/zinc/06/93/00/436069300.db2.gz GNZCYRGEXPHVDV-RHSMWYFYSA-N 2 2 316.470 3.272 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000647530866 436073882 /nfs/dbraw/zinc/07/38/82/436073882.db2.gz LPYGUJIPVWHPDH-UHFFFAOYSA-N 2 2 308.853 3.442 20 0 DGADLP CCCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](CC)c1ccccc1 ZINC000653089425 436108807 /nfs/dbraw/zinc/10/88/07/436108807.db2.gz HHCBDKNEJPVINV-ROUUACIJSA-N 2 2 319.493 3.045 20 0 DGADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000647548813 436080849 /nfs/dbraw/zinc/08/08/49/436080849.db2.gz VMRZSWSSJHEOFJ-XLIONFOSSA-N 3 2 315.505 3.150 20 0 DGADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000647549840 436082901 /nfs/dbraw/zinc/08/29/01/436082901.db2.gz TVMPBMYTENVLEQ-AEFFLSMTSA-N 2 2 310.441 3.320 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554191 436082975 /nfs/dbraw/zinc/08/29/75/436082975.db2.gz SWKDYMBEBIIYSE-HNNXBMFYSA-N 2 2 310.388 3.095 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000647553860 436083111 /nfs/dbraw/zinc/08/31/11/436083111.db2.gz LGOUXBMIWBVUTK-GOSISDBHSA-N 2 2 318.461 3.248 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 ZINC000647801434 436126048 /nfs/dbraw/zinc/12/60/48/436126048.db2.gz VOMJBAMARIJCKY-ZIAGYGMSSA-N 2 2 318.323 3.243 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000653179862 436127309 /nfs/dbraw/zinc/12/73/09/436127309.db2.gz SHMOBTCIGOTVIV-HNNXBMFYSA-N 2 2 304.438 3.001 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657311162 436128686 /nfs/dbraw/zinc/12/86/86/436128686.db2.gz UZBXVDXDWGTDPW-ZDUSSCGKSA-N 2 2 315.417 3.006 20 0 DGADLP Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000657326829 436139906 /nfs/dbraw/zinc/13/99/06/436139906.db2.gz FPGSDWRWMRXGHD-UHFFFAOYSA-N 2 2 321.428 3.163 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1OC(F)F)Cn1cc[nH+]c1 ZINC000657334042 436142148 /nfs/dbraw/zinc/14/21/48/436142148.db2.gz JVPLSKZLEPQWGS-NSHDSACASA-N 2 2 313.323 3.050 20 0 DGADLP CC(C)(C)OCc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657342272 436148586 /nfs/dbraw/zinc/14/85/86/436148586.db2.gz IXDJRROYEIVDID-UHFFFAOYSA-N 2 2 313.445 3.434 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000647911693 436148593 /nfs/dbraw/zinc/14/85/93/436148593.db2.gz HBMXWDPSRUBXRY-CRAIPNDOSA-N 2 2 319.518 3.482 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934407 436152159 /nfs/dbraw/zinc/15/21/59/436152159.db2.gz DQTQKYCTHKSLQF-GUYCJALGSA-N 2 2 318.852 3.085 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934407 436152162 /nfs/dbraw/zinc/15/21/62/436152162.db2.gz DQTQKYCTHKSLQF-GUYCJALGSA-N 2 2 318.852 3.085 20 0 DGADLP CC1([NH3+])CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000647926847 436152454 /nfs/dbraw/zinc/15/24/54/436152454.db2.gz OPHVFFMFELPOEB-UHFFFAOYSA-N 2 2 303.233 3.185 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657286730 436115341 /nfs/dbraw/zinc/11/53/41/436115341.db2.gz BUOZAZAWLXUZJR-UHFFFAOYSA-N 2 2 303.381 3.054 20 0 DGADLP FC(F)(F)c1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657290457 436116600 /nfs/dbraw/zinc/11/66/00/436116600.db2.gz QOEPQJKTRNIKOB-UHFFFAOYSA-N 2 2 309.335 3.180 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647786065 436118357 /nfs/dbraw/zinc/11/83/57/436118357.db2.gz HHQBFKOTSSWYEL-WZGPROSRSA-N 3 2 315.505 3.094 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(OC)c2)[NH+](CC)CC)CO1 ZINC000657298156 436122400 /nfs/dbraw/zinc/12/24/00/436122400.db2.gz TVDIXRYFUFLERA-ZHALLVOQSA-N 2 2 320.477 3.235 20 0 DGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796521 436122889 /nfs/dbraw/zinc/12/28/89/436122889.db2.gz CMSBALIHLUVACH-GBESFXJTSA-N 3 2 319.537 3.010 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957011 436159392 /nfs/dbraw/zinc/15/93/92/436159392.db2.gz BEJSCTJUHUHZHB-KRWDZBQOSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957011 436159397 /nfs/dbraw/zinc/15/93/97/436159397.db2.gz BEJSCTJUHUHZHB-KRWDZBQOSA-N 2 2 317.458 3.287 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364008 436160010 /nfs/dbraw/zinc/16/00/10/436160010.db2.gz HNGLEPWGRSLQDA-SJCJKPOMSA-N 2 2 319.836 3.349 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964280 436160590 /nfs/dbraw/zinc/16/05/90/436160590.db2.gz BCPISZQSGNHJQV-WMZOPIPTSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964280 436160594 /nfs/dbraw/zinc/16/05/94/436160594.db2.gz BCPISZQSGNHJQV-WMZOPIPTSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964280 436160599 /nfs/dbraw/zinc/16/05/99/436160599.db2.gz BCPISZQSGNHJQV-WMZOPIPTSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964280 436160602 /nfs/dbraw/zinc/16/06/02/436160602.db2.gz BCPISZQSGNHJQV-WMZOPIPTSA-N 2 2 322.493 3.460 20 0 DGADLP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364009 436161451 /nfs/dbraw/zinc/16/14/51/436161451.db2.gz HNGLEPWGRSLQDA-SJKOYZFVSA-N 2 2 319.836 3.349 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959794 436156775 /nfs/dbraw/zinc/15/67/75/436156775.db2.gz LVQQUXBIOQOPPK-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959794 436156777 /nfs/dbraw/zinc/15/67/77/436156777.db2.gz LVQQUXBIOQOPPK-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959794 436156781 /nfs/dbraw/zinc/15/67/81/436156781.db2.gz LVQQUXBIOQOPPK-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959794 436156788 /nfs/dbraw/zinc/15/67/88/436156788.db2.gz LVQQUXBIOQOPPK-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)(C)c1cccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657369083 436163896 /nfs/dbraw/zinc/16/38/96/436163896.db2.gz XLMXZFJBNWJMIS-UHFFFAOYSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661733328 436172136 /nfs/dbraw/zinc/17/21/36/436172136.db2.gz HFGZGPQNVIGILL-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661733328 436172143 /nfs/dbraw/zinc/17/21/43/436172143.db2.gz HFGZGPQNVIGILL-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000651355616 436173022 /nfs/dbraw/zinc/17/30/22/436173022.db2.gz PRQRSHKJCQCSJP-BHDSKKPTSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(Br)c1 ZINC000651355616 436173025 /nfs/dbraw/zinc/17/30/25/436173025.db2.gz PRQRSHKJCQCSJP-BHDSKKPTSA-N 2 2 315.230 3.189 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000648004662 436175916 /nfs/dbraw/zinc/17/59/16/436175916.db2.gz XKKPCBVIOBURTC-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)CCC2 ZINC000657415168 436188010 /nfs/dbraw/zinc/18/80/10/436188010.db2.gz APYQVTARUMTXMP-MAUKXSAKSA-N 2 2 311.429 3.087 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000648013748 436180996 /nfs/dbraw/zinc/18/09/96/436180996.db2.gz QAPNRZYFLYYQRG-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000648013748 436181001 /nfs/dbraw/zinc/18/10/01/436181001.db2.gz QAPNRZYFLYYQRG-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000648013748 436181006 /nfs/dbraw/zinc/18/10/06/436181006.db2.gz QAPNRZYFLYYQRG-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000648013748 436181011 /nfs/dbraw/zinc/18/10/11/436181011.db2.gz QAPNRZYFLYYQRG-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000657526222 436233990 /nfs/dbraw/zinc/23/39/90/436233990.db2.gz DEXZJOLZTAMSDQ-GOSISDBHSA-N 2 2 301.478 3.118 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000657526222 436233993 /nfs/dbraw/zinc/23/39/93/436233993.db2.gz DEXZJOLZTAMSDQ-GOSISDBHSA-N 2 2 301.478 3.118 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000657524921 436234567 /nfs/dbraw/zinc/23/45/67/436234567.db2.gz SZLXTEHOZBGCLN-CYBMUJFWSA-N 2 2 304.463 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000657524921 436234571 /nfs/dbraw/zinc/23/45/71/436234571.db2.gz SZLXTEHOZBGCLN-CYBMUJFWSA-N 2 2 304.463 3.101 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000657524199 436235115 /nfs/dbraw/zinc/23/51/15/436235115.db2.gz JHDBSNVCUFTTNU-AWEZNQCLSA-N 2 2 301.409 3.336 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000657524199 436235119 /nfs/dbraw/zinc/23/51/19/436235119.db2.gz JHDBSNVCUFTTNU-AWEZNQCLSA-N 2 2 301.409 3.336 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000648035893 436188268 /nfs/dbraw/zinc/18/82/68/436188268.db2.gz UJFIFNAJHFCVPJ-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000648035893 436188272 /nfs/dbraw/zinc/18/82/72/436188272.db2.gz UJFIFNAJHFCVPJ-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000648035893 436188277 /nfs/dbraw/zinc/18/82/77/436188277.db2.gz UJFIFNAJHFCVPJ-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000648035893 436188282 /nfs/dbraw/zinc/18/82/82/436188282.db2.gz UJFIFNAJHFCVPJ-ICSRJNTNSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1C ZINC000657427118 436195089 /nfs/dbraw/zinc/19/50/89/436195089.db2.gz OUYPFYNNLYYKIS-HZPDHXFCSA-N 2 2 305.809 3.002 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000657431325 436197136 /nfs/dbraw/zinc/19/71/36/436197136.db2.gz FHHHLFVROPSPIW-GBESFXJTSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000657431325 436197140 /nfs/dbraw/zinc/19/71/40/436197140.db2.gz FHHHLFVROPSPIW-GBESFXJTSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000657431328 436197339 /nfs/dbraw/zinc/19/73/39/436197339.db2.gz FHHHLFVROPSPIW-GUDVDZBRSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000657431328 436197343 /nfs/dbraw/zinc/19/73/43/436197343.db2.gz FHHHLFVROPSPIW-GUDVDZBRSA-N 2 2 324.472 3.108 20 0 DGADLP CCc1ccc([C@@H](CNCc2[nH]cc(C)[nH+]2)[NH+](CC)CC)cc1 ZINC000657473862 436216804 /nfs/dbraw/zinc/21/68/04/436216804.db2.gz SMEUAAPCAFXQPW-GOSISDBHSA-N 2 2 314.477 3.453 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590457 436217457 /nfs/dbraw/zinc/21/74/57/436217457.db2.gz CHMYLYGFAAIOML-UKRRQHHQSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590457 436217460 /nfs/dbraw/zinc/21/74/60/436217460.db2.gz CHMYLYGFAAIOML-UKRRQHHQSA-N 2 2 323.400 3.021 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000657489476 436224551 /nfs/dbraw/zinc/22/45/51/436224551.db2.gz UXUYGKZAGSEWRU-UHFFFAOYSA-N 2 2 312.442 3.184 20 0 DGADLP C1CC(C2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)C1 ZINC000657752793 436294894 /nfs/dbraw/zinc/29/48/94/436294894.db2.gz RJXIBTGNCAQJSB-TVPLGVNVSA-N 2 2 306.494 3.188 20 0 DGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657751862 436294963 /nfs/dbraw/zinc/29/49/63/436294963.db2.gz MGGFURINIHCNNG-UHOSZYNNSA-N 2 2 308.510 3.434 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000666857620 436295479 /nfs/dbraw/zinc/29/54/79/436295479.db2.gz BFVWIDORWCAFCU-MRXNPFEDSA-N 3 2 321.896 3.036 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)cc2)c[nH+]1 ZINC000661995374 436245345 /nfs/dbraw/zinc/24/53/45/436245345.db2.gz MCWUHICMJXHCPV-UHFFFAOYSA-N 2 2 323.440 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)cc2)c[nH+]1 ZINC000661995374 436245351 /nfs/dbraw/zinc/24/53/51/436245351.db2.gz MCWUHICMJXHCPV-UHFFFAOYSA-N 2 2 323.440 3.263 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000657562408 436245674 /nfs/dbraw/zinc/24/56/74/436245674.db2.gz HYIKCNYICLRKOL-KRWDZBQOSA-N 2 2 301.478 3.118 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000657562408 436245677 /nfs/dbraw/zinc/24/56/77/436245677.db2.gz HYIKCNYICLRKOL-KRWDZBQOSA-N 2 2 301.478 3.118 20 0 DGADLP Clc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Br ZINC000666768839 436276990 /nfs/dbraw/zinc/27/69/90/436276990.db2.gz OTQWCFAGYYLNFM-NSHDSACASA-N 2 2 317.658 3.334 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000666766803 436277996 /nfs/dbraw/zinc/27/79/96/436277996.db2.gz FULGMLGRIDRFQW-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657931219 436342915 /nfs/dbraw/zinc/34/29/15/436342915.db2.gz KVHDDFFGIAFSKM-NVXWUHKLSA-N 2 2 319.518 3.482 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(CF)(CF)C1 ZINC000657940311 436345273 /nfs/dbraw/zinc/34/52/73/436345273.db2.gz KZNSUIVFKMZHIW-UHFFFAOYSA-N 2 2 323.431 3.247 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)CC[NH2+]1 ZINC000666873223 436299530 /nfs/dbraw/zinc/29/95/30/436299530.db2.gz ILKACOVMVKHNIS-VHSXEESVSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)C1 ZINC000657786942 436304917 /nfs/dbraw/zinc/30/49/17/436304917.db2.gz YTHJQBNFGHMNDU-NXHRZFHOSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)C1 ZINC000657786942 436304922 /nfs/dbraw/zinc/30/49/22/436304922.db2.gz YTHJQBNFGHMNDU-NXHRZFHOSA-N 2 2 302.462 3.227 20 0 DGADLP C[N@H+](Cc1cccc(F)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662265180 436316260 /nfs/dbraw/zinc/31/62/60/436316260.db2.gz NSSAGZKTDSREJH-FUNVUKJBSA-N 2 2 314.351 3.142 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662265180 436316265 /nfs/dbraw/zinc/31/62/65/436316265.db2.gz NSSAGZKTDSREJH-FUNVUKJBSA-N 2 2 314.351 3.142 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+](C)C)cc1 ZINC000657818854 436316600 /nfs/dbraw/zinc/31/66/00/436316600.db2.gz UZKMDOUSYXLXSU-QZTJIDSGSA-N 2 2 302.462 3.153 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2oc3ccccc3c2Br)CCC1 ZINC000662265760 436316667 /nfs/dbraw/zinc/31/66/67/436316667.db2.gz INFUEHZZEBCVNC-UHFFFAOYSA-N 2 2 309.207 3.166 20 0 DGADLP CCOC1CCC([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000657816289 436316807 /nfs/dbraw/zinc/31/68/07/436316807.db2.gz JSIJZWMNCNHYBU-XBMUEBEBSA-N 2 2 304.478 3.097 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C(F)F)nc1 ZINC000657834466 436322062 /nfs/dbraw/zinc/32/20/62/436322062.db2.gz KDBUAODTTZBZLZ-GFCCVEGCSA-N 2 2 320.387 3.445 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)[C@H]1CC[NH3+] ZINC000662285433 436323127 /nfs/dbraw/zinc/32/31/27/436323127.db2.gz JOFMXTQVZYQZKG-FZMZJTMJSA-N 2 2 316.367 3.376 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)[C@H]1CC[NH3+] ZINC000662285433 436323131 /nfs/dbraw/zinc/32/31/31/436323131.db2.gz JOFMXTQVZYQZKG-FZMZJTMJSA-N 2 2 316.367 3.376 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2OC(F)F)C[C@@H]1C[NH3+] ZINC000662283091 436324042 /nfs/dbraw/zinc/32/40/42/436324042.db2.gz KNQCWHKMKFPNOS-MDZLAQPJSA-N 2 2 316.367 3.232 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(F)c2OC(F)F)C[C@@H]1C[NH3+] ZINC000662283091 436324046 /nfs/dbraw/zinc/32/40/46/436324046.db2.gz KNQCWHKMKFPNOS-MDZLAQPJSA-N 2 2 316.367 3.232 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320481 436331596 /nfs/dbraw/zinc/33/15/96/436331596.db2.gz BTDXHQIPWLPQIF-WMLDXEAASA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320481 436331599 /nfs/dbraw/zinc/33/15/99/436331599.db2.gz BTDXHQIPWLPQIF-WMLDXEAASA-N 2 2 310.869 3.444 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657894731 436335313 /nfs/dbraw/zinc/33/53/13/436335313.db2.gz BCTBXLHGLPPYLR-SJORKVTESA-N 2 2 311.429 3.005 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](CC)[NH2+]C)c1 ZINC000662535692 436360656 /nfs/dbraw/zinc/36/06/56/436360656.db2.gz OFJZIJJWZZAYKV-INIZCTEOSA-N 2 2 314.433 3.287 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059173 436361301 /nfs/dbraw/zinc/36/13/01/436361301.db2.gz VNPVHTWMJDFTAO-XJKSGUPXSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059173 436361304 /nfs/dbraw/zinc/36/13/04/436361304.db2.gz VNPVHTWMJDFTAO-XJKSGUPXSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000658062709 436363117 /nfs/dbraw/zinc/36/31/17/436363117.db2.gz GUPPZQFWVDBQMB-HLIPFELVSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000658062709 436363121 /nfs/dbraw/zinc/36/31/21/436363121.db2.gz GUPPZQFWVDBQMB-HLIPFELVSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090213 436371807 /nfs/dbraw/zinc/37/18/07/436371807.db2.gz FMANPDWYNCIKCM-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090213 436371811 /nfs/dbraw/zinc/37/18/11/436371811.db2.gz FMANPDWYNCIKCM-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090040 436371942 /nfs/dbraw/zinc/37/19/42/436371942.db2.gz CZBWNMUUEFIUQY-HOTGVXAUSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)OCCO2 ZINC000658090040 436371945 /nfs/dbraw/zinc/37/19/45/436371945.db2.gz CZBWNMUUEFIUQY-HOTGVXAUSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091008 436372337 /nfs/dbraw/zinc/37/23/37/436372337.db2.gz KBEYHYLKFISBCR-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091008 436372338 /nfs/dbraw/zinc/37/23/38/436372338.db2.gz KBEYHYLKFISBCR-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094378 436373536 /nfs/dbraw/zinc/37/35/36/436373536.db2.gz YQVOYZFMJUWPNA-QZTJIDSGSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094378 436373539 /nfs/dbraw/zinc/37/35/39/436373539.db2.gz YQVOYZFMJUWPNA-QZTJIDSGSA-N 2 2 322.468 3.236 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238028 436408010 /nfs/dbraw/zinc/40/80/10/436408010.db2.gz PMOCTWQJBRXBFC-GQWLDOHISA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238028 436408014 /nfs/dbraw/zinc/40/80/14/436408014.db2.gz PMOCTWQJBRXBFC-GQWLDOHISA-N 2 2 322.452 3.490 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056246 436359109 /nfs/dbraw/zinc/35/91/09/436359109.db2.gz KGKVXVPHSIXIHI-WBVHZDCISA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056246 436359111 /nfs/dbraw/zinc/35/91/11/436359111.db2.gz KGKVXVPHSIXIHI-WBVHZDCISA-N 2 2 304.478 3.479 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CCC2)c1 ZINC000658323643 436430112 /nfs/dbraw/zinc/43/01/12/436430112.db2.gz OIXWGSVZBCNHOY-KBXCAEBGSA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CCC2)c1 ZINC000658323643 436430115 /nfs/dbraw/zinc/43/01/15/436430115.db2.gz OIXWGSVZBCNHOY-KBXCAEBGSA-N 2 2 300.446 3.147 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345665 436442918 /nfs/dbraw/zinc/44/29/18/436442918.db2.gz MZWSPEZYVXIXPX-SFHVURJKSA-N 2 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345665 436442923 /nfs/dbraw/zinc/44/29/23/436442923.db2.gz MZWSPEZYVXIXPX-SFHVURJKSA-N 2 2 324.472 3.084 20 0 DGADLP c1ccc(Nc2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000663398367 436453551 /nfs/dbraw/zinc/45/35/51/436453551.db2.gz UKKAEBGUFKNRTP-JKSUJKDBSA-N 2 2 309.417 3.259 20 0 DGADLP c1ccc(Nc2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)cc1 ZINC000663398367 436453553 /nfs/dbraw/zinc/45/35/53/436453553.db2.gz UKKAEBGUFKNRTP-JKSUJKDBSA-N 2 2 309.417 3.259 20 0 DGADLP CN(CC(C)(C)[NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000658994427 436455913 /nfs/dbraw/zinc/45/59/13/436455913.db2.gz MEXUTLSWDSEUPF-UHFFFAOYSA-N 2 2 314.389 3.075 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287406 436418500 /nfs/dbraw/zinc/41/85/00/436418500.db2.gz HWNRXUQXPGYOCT-DOTOQJQBSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287406 436418513 /nfs/dbraw/zinc/41/85/13/436418513.db2.gz HWNRXUQXPGYOCT-DOTOQJQBSA-N 2 2 317.477 3.094 20 0 DGADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccncc1 ZINC000658293429 436420085 /nfs/dbraw/zinc/42/00/85/436420085.db2.gz AEQJKJFIUTYHPX-RBUKOAKNSA-N 2 2 317.477 3.012 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000658296278 436420110 /nfs/dbraw/zinc/42/01/10/436420110.db2.gz RKGNREKHEXKNCI-IRXDYDNUSA-N 2 2 308.491 3.432 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000658292222 436420725 /nfs/dbraw/zinc/42/07/25/436420725.db2.gz RSTIMWCYVTWHCT-HIFRSBDPSA-N 2 2 308.491 3.214 20 0 DGADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccncc1 ZINC000658293425 436420917 /nfs/dbraw/zinc/42/09/17/436420917.db2.gz AEQJKJFIUTYHPX-MOPGFXCFSA-N 2 2 317.477 3.012 20 0 DGADLP Cc1cccc(CC[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000658296261 436421102 /nfs/dbraw/zinc/42/11/02/436421102.db2.gz YHESLZWEGXQDLW-XLIONFOSSA-N 2 2 316.489 3.159 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663498691 436470084 /nfs/dbraw/zinc/47/00/84/436470084.db2.gz DFDJGQQOBDOXPA-NZSAHSFTSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663498691 436470087 /nfs/dbraw/zinc/47/00/87/436470087.db2.gz DFDJGQQOBDOXPA-NZSAHSFTSA-N 3 2 303.494 3.003 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000663508494 436471463 /nfs/dbraw/zinc/47/14/63/436471463.db2.gz BCSCKKSAIJRNDH-MRVPVSSYSA-N 2 2 314.273 3.422 20 0 DGADLP Cn1c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2[nH+]c1C1CC1 ZINC000659313956 436494128 /nfs/dbraw/zinc/49/41/28/436494128.db2.gz FFEYQMZCPMVPTC-UHFFFAOYSA-N 2 2 324.428 3.051 20 0 DGADLP C[C@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@H]1n1cc[nH+]c1 ZINC000663714764 436496031 /nfs/dbraw/zinc/49/60/31/436496031.db2.gz ZSRRKWMRRVPNKD-SUMWQHHRSA-N 2 2 307.401 3.101 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000663736490 436499817 /nfs/dbraw/zinc/49/98/17/436499817.db2.gz XKBCUCQDLKQBBC-KUHUBIRLSA-N 2 2 322.456 3.270 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000663736490 436499822 /nfs/dbraw/zinc/49/98/22/436499822.db2.gz XKBCUCQDLKQBBC-KUHUBIRLSA-N 2 2 322.456 3.270 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009912 436577559 /nfs/dbraw/zinc/57/75/59/436577559.db2.gz CYMSALTTZAWGBE-CJNGLKHVSA-N 2 2 301.459 3.212 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009912 436577561 /nfs/dbraw/zinc/57/75/61/436577561.db2.gz CYMSALTTZAWGBE-CJNGLKHVSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009912 436577563 /nfs/dbraw/zinc/57/75/63/436577563.db2.gz CYMSALTTZAWGBE-CJNGLKHVSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009912 436577565 /nfs/dbraw/zinc/57/75/65/436577565.db2.gz CYMSALTTZAWGBE-CJNGLKHVSA-N 2 2 301.459 3.212 20 0 DGADLP Cc1cc(CO)cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[nH+]1 ZINC000663910324 436526661 /nfs/dbraw/zinc/52/66/61/436526661.db2.gz UCXLPBFXKPHOHI-KXBFYZLASA-N 2 2 313.445 3.294 20 0 DGADLP Cc1nc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c(C)c(C)[nH+]1 ZINC000663946545 436530983 /nfs/dbraw/zinc/53/09/83/436530983.db2.gz UTQUTSRUAXOBET-UHFFFAOYSA-N 2 2 316.493 3.493 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446302 436549993 /nfs/dbraw/zinc/54/99/93/436549993.db2.gz MKTYAIIMLVQZIQ-PKOBYXMFSA-N 2 2 323.396 3.202 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000659882242 436553450 /nfs/dbraw/zinc/55/34/50/436553450.db2.gz FRLJUUYDTDXATQ-OAHLLOKOSA-N 2 2 317.458 3.321 20 0 DGADLP COc1cccc(SCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000659882242 436553452 /nfs/dbraw/zinc/55/34/52/436553452.db2.gz FRLJUUYDTDXATQ-OAHLLOKOSA-N 2 2 317.458 3.321 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)c[nH+]1 ZINC000659883398 436554339 /nfs/dbraw/zinc/55/43/39/436554339.db2.gz SLYGHNUIGVPBGI-AWEZNQCLSA-N 2 2 312.442 3.372 20 0 DGADLP c1cn([C@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)c[nH+]1 ZINC000659883398 436554343 /nfs/dbraw/zinc/55/43/43/436554343.db2.gz SLYGHNUIGVPBGI-AWEZNQCLSA-N 2 2 312.442 3.372 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1COC(C)(C)C1 ZINC000659972916 436570872 /nfs/dbraw/zinc/57/08/72/436570872.db2.gz HREPGTCVVMPFGA-KRWDZBQOSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1COC(C)(C)C1 ZINC000659972916 436570875 /nfs/dbraw/zinc/57/08/75/436570875.db2.gz HREPGTCVVMPFGA-KRWDZBQOSA-N 2 2 317.477 3.187 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655678879 436573012 /nfs/dbraw/zinc/57/30/12/436573012.db2.gz LTTQPQRVVIKXLV-ZFWWWQNUSA-N 2 2 308.853 3.244 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000655678877 436573227 /nfs/dbraw/zinc/57/32/27/436573227.db2.gz LTTQPQRVVIKXLV-UKRRQHHQSA-N 2 2 308.853 3.244 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655684698 436573758 /nfs/dbraw/zinc/57/37/58/436573758.db2.gz VPWWFEXXRNVYSH-BEFAXECRSA-N 2 2 302.462 3.153 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(F)cc2F)C1 ZINC000659990082 436574755 /nfs/dbraw/zinc/57/47/55/436574755.db2.gz XPZDXIAMXWPYSK-ZDUSSCGKSA-N 2 2 314.445 3.331 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccc(F)cc2F)C1 ZINC000659990082 436574760 /nfs/dbraw/zinc/57/47/60/436574760.db2.gz XPZDXIAMXWPYSK-ZDUSSCGKSA-N 2 2 314.445 3.331 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000659990082 436574763 /nfs/dbraw/zinc/57/47/63/436574763.db2.gz XPZDXIAMXWPYSK-ZDUSSCGKSA-N 2 2 314.445 3.331 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000659990082 436574767 /nfs/dbraw/zinc/57/47/67/436574767.db2.gz XPZDXIAMXWPYSK-ZDUSSCGKSA-N 2 2 314.445 3.331 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083474 436588009 /nfs/dbraw/zinc/58/80/09/436588009.db2.gz TZWXYPLBWACPML-CZUORRHYSA-N 2 2 303.475 3.458 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083474 436588012 /nfs/dbraw/zinc/58/80/12/436588012.db2.gz TZWXYPLBWACPML-CZUORRHYSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083474 436588014 /nfs/dbraw/zinc/58/80/14/436588014.db2.gz TZWXYPLBWACPML-CZUORRHYSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083474 436588015 /nfs/dbraw/zinc/58/80/15/436588015.db2.gz TZWXYPLBWACPML-CZUORRHYSA-N 2 2 303.475 3.458 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203168 436604667 /nfs/dbraw/zinc/60/46/67/436604667.db2.gz XIZDWBOERYVYGV-RHSMWYFYSA-N 2 2 314.420 3.097 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203168 436604670 /nfs/dbraw/zinc/60/46/70/436604670.db2.gz XIZDWBOERYVYGV-RHSMWYFYSA-N 2 2 314.420 3.097 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119660870 303133042 /nfs/dbraw/zinc/13/30/42/303133042.db2.gz UXULXXQZTZBUMG-KRWDZBQOSA-N 2 2 304.409 3.256 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727555 313067109 /nfs/dbraw/zinc/06/71/09/313067109.db2.gz HKGIGXZALUYROY-QGZVFWFLSA-N 2 2 302.462 3.243 20 0 DGADLP C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000528773014 313080233 /nfs/dbraw/zinc/08/02/33/313080233.db2.gz NUTVHELGWMOAAZ-OAHLLOKOSA-N 2 2 324.415 3.138 20 0 DGADLP C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000528773014 313080235 /nfs/dbraw/zinc/08/02/35/313080235.db2.gz NUTVHELGWMOAAZ-OAHLLOKOSA-N 2 2 324.415 3.138 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cn2)[C@H]1c1cccs1 ZINC000529546886 313224205 /nfs/dbraw/zinc/22/42/05/313224205.db2.gz GZPBZGNQFKQNGK-GUYCJALGSA-N 2 2 319.449 3.455 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cn2)[C@H]1c1cccs1 ZINC000529546886 313224207 /nfs/dbraw/zinc/22/42/07/313224207.db2.gz GZPBZGNQFKQNGK-GUYCJALGSA-N 2 2 319.449 3.455 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000530492495 313376461 /nfs/dbraw/zinc/37/64/61/313376461.db2.gz WWCXDFMKQNUVOC-RDTXWAMCSA-N 2 2 302.462 3.349 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000530492495 313376465 /nfs/dbraw/zinc/37/64/65/313376465.db2.gz WWCXDFMKQNUVOC-RDTXWAMCSA-N 2 2 302.462 3.349 20 0 DGADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000530546208 313382198 /nfs/dbraw/zinc/38/21/98/313382198.db2.gz YRVMLQKTUITBBE-UHFFFAOYSA-N 2 2 314.429 3.405 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000531684632 313480237 /nfs/dbraw/zinc/48/02/37/313480237.db2.gz SSYWIDUFKYABNP-HZPDHXFCSA-N 2 2 301.434 3.454 20 0 DGADLP Fc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000534861713 313684333 /nfs/dbraw/zinc/68/43/33/313684333.db2.gz VBSVLVOJFAUCAU-UHFFFAOYSA-N 2 2 303.356 3.436 20 0 DGADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000537293244 313806911 /nfs/dbraw/zinc/80/69/11/313806911.db2.gz JWUFVISNCPCOCM-IAGOWNOFSA-N 2 2 315.461 3.450 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000538116006 313847711 /nfs/dbraw/zinc/84/77/11/313847711.db2.gz HBLUWAIQYMBLAD-ZWKOTPCHSA-N 2 2 304.503 3.473 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000540259366 313954294 /nfs/dbraw/zinc/95/42/94/313954294.db2.gz RCAREMNYZMBAEC-ZHALLVOQSA-N 2 2 304.478 3.473 20 0 DGADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592382 314143586 /nfs/dbraw/zinc/14/35/86/314143586.db2.gz STBJQXDYWBEVPE-SJLPKXTDSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592382 314143590 /nfs/dbraw/zinc/14/35/90/314143590.db2.gz STBJQXDYWBEVPE-SJLPKXTDSA-N 2 2 314.477 3.371 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cnc(C3CCCCC3)s1)CC2 ZINC000548623024 314460822 /nfs/dbraw/zinc/46/08/22/314460822.db2.gz WSAKGHRYSBXQDV-CQSZACIVSA-N 2 2 316.474 3.492 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000559736337 314890109 /nfs/dbraw/zinc/89/01/09/314890109.db2.gz LNVJIXLRCGPJFP-BZSNNMDCSA-N 2 2 324.509 3.353 20 0 DGADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CC(C)(F)F)c1ccccc1O2 ZINC000559892778 314894759 /nfs/dbraw/zinc/89/47/59/314894759.db2.gz ZFWDPTHQGIGTDY-CQSZACIVSA-N 2 2 310.388 3.219 20 0 DGADLP CCc1ccc2[nH+]ccc(NCc3c[nH+]c4n3CCCC4)c2c1 ZINC000560213031 314906714 /nfs/dbraw/zinc/90/67/14/314906714.db2.gz BAAQQULEWNFSDK-UHFFFAOYSA-N 2 2 306.413 3.364 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H](C)O1 ZINC000562515754 315026051 /nfs/dbraw/zinc/02/60/51/315026051.db2.gz YWNNWEWMYUPGHM-UKBAYJJMSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H](C)O1 ZINC000562515752 315026072 /nfs/dbraw/zinc/02/60/72/315026072.db2.gz YWNNWEWMYUPGHM-KCITZHQASA-N 2 2 302.462 3.369 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000563728336 315134954 /nfs/dbraw/zinc/13/49/54/315134954.db2.gz CTHIDEXXISVPGV-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000563728336 315134957 /nfs/dbraw/zinc/13/49/57/315134957.db2.gz CTHIDEXXISVPGV-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563889200 315145145 /nfs/dbraw/zinc/14/51/45/315145145.db2.gz WAYUIWGHQWPXNO-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563889200 315145146 /nfs/dbraw/zinc/14/51/46/315145146.db2.gz WAYUIWGHQWPXNO-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(C)cc3C[NH+](C)C)ccn12 ZINC000564224496 315163641 /nfs/dbraw/zinc/16/36/41/315163641.db2.gz VZZPVZDZQSXUBB-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324736 315168959 /nfs/dbraw/zinc/16/89/59/315168959.db2.gz HDULSEUMHLNKQV-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324736 315168960 /nfs/dbraw/zinc/16/89/60/315168960.db2.gz HDULSEUMHLNKQV-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324736 315168963 /nfs/dbraw/zinc/16/89/63/315168963.db2.gz HDULSEUMHLNKQV-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324736 315168965 /nfs/dbraw/zinc/16/89/65/315168965.db2.gz HDULSEUMHLNKQV-YOEHRIQHSA-N 2 2 320.864 3.191 20 0 DGADLP c1cc(-c2ncc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)cs1 ZINC000564418590 315174888 /nfs/dbraw/zinc/17/48/88/315174888.db2.gz DUHRHJPDVIEXGM-NSHDSACASA-N 2 2 316.455 3.242 20 0 DGADLP c1cc(-c2ncc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)s2)cs1 ZINC000564418590 315174889 /nfs/dbraw/zinc/17/48/89/315174889.db2.gz DUHRHJPDVIEXGM-NSHDSACASA-N 2 2 316.455 3.242 20 0 DGADLP Clc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000564745868 315196793 /nfs/dbraw/zinc/19/67/93/315196793.db2.gz PEPLPSJJFACXCF-UHFFFAOYSA-N 2 2 302.809 3.207 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000565246533 315247039 /nfs/dbraw/zinc/24/70/39/315247039.db2.gz OQWNDSFEUHHLEP-ZJPYXAASSA-N 2 2 324.509 3.064 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CC[C@@H](C)C3)c2cc1C ZINC000565359376 315255702 /nfs/dbraw/zinc/25/57/02/315255702.db2.gz VEESTNKMSAHIHU-KBRIMQKVSA-N 2 2 315.461 3.040 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cncnc1C ZINC000565433269 315260946 /nfs/dbraw/zinc/26/09/46/315260946.db2.gz OSPSMYUOGDAGSP-CYBMUJFWSA-N 2 2 309.417 3.184 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000565649171 315277063 /nfs/dbraw/zinc/27/70/63/315277063.db2.gz DMIQMPKDTCFLQX-GPJFCIFZSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000565649171 315277065 /nfs/dbraw/zinc/27/70/65/315277065.db2.gz DMIQMPKDTCFLQX-GPJFCIFZSA-N 2 2 314.473 3.342 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cnoc3C)C2)s1 ZINC000565837197 315291502 /nfs/dbraw/zinc/29/15/02/315291502.db2.gz MWSYOQAZJRUREC-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cnoc3C)C2)s1 ZINC000565837197 315291504 /nfs/dbraw/zinc/29/15/04/315291504.db2.gz MWSYOQAZJRUREC-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cnoc3C)C2)s1 ZINC000565837197 315291506 /nfs/dbraw/zinc/29/15/06/315291506.db2.gz MWSYOQAZJRUREC-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cnoc3C)C2)s1 ZINC000565837197 315291508 /nfs/dbraw/zinc/29/15/08/315291508.db2.gz MWSYOQAZJRUREC-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566091033 315310884 /nfs/dbraw/zinc/31/08/84/315310884.db2.gz WAGBWUIHENXYAW-DLBZAZTESA-N 2 2 303.450 3.153 20 0 DGADLP COC(=O)C[C@H]([NH2+]CCc1cc[nH+]cc1C)C1CCCCC1 ZINC000566169246 315319559 /nfs/dbraw/zinc/31/95/59/315319559.db2.gz AJGPXJACVSBGRQ-KRWDZBQOSA-N 2 2 304.434 3.034 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029660 315391293 /nfs/dbraw/zinc/39/12/93/315391293.db2.gz GNAJPLLQGCQQFA-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029660 315391295 /nfs/dbraw/zinc/39/12/95/315391295.db2.gz GNAJPLLQGCQQFA-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029660 315391296 /nfs/dbraw/zinc/39/12/96/315391296.db2.gz GNAJPLLQGCQQFA-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000567029660 315391297 /nfs/dbraw/zinc/39/12/97/315391297.db2.gz GNAJPLLQGCQQFA-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)n1C ZINC000568269664 315497487 /nfs/dbraw/zinc/49/74/87/315497487.db2.gz SMXFYMOJPOKNFN-LJQANCHMSA-N 2 2 306.413 3.311 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCC[C@H]3C)c2cc1C ZINC000568873102 315542666 /nfs/dbraw/zinc/54/26/66/315542666.db2.gz KNBZLLWIOXPOMR-XOKHGSTOSA-N 2 2 315.461 3.040 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000570632776 315662808 /nfs/dbraw/zinc/66/28/08/315662808.db2.gz JAQCRCSAFANURG-WMZOPIPTSA-N 2 2 320.502 3.100 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000575003284 316023911 /nfs/dbraw/zinc/02/39/11/316023911.db2.gz JJUOFFGWRMROGK-LBPRGKRZSA-N 2 2 320.234 3.441 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575889022 316073053 /nfs/dbraw/zinc/07/30/53/316073053.db2.gz ALVJCXZYNUMZKM-HOTGVXAUSA-N 2 2 301.478 3.028 20 0 DGADLP COCCCC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000576122887 316097696 /nfs/dbraw/zinc/09/76/96/316097696.db2.gz SKXCICHRXWABFU-GOSISDBHSA-N 2 2 301.434 3.376 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165465 316101427 /nfs/dbraw/zinc/10/14/27/316101427.db2.gz GRAJGBUJWCVLHJ-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165465 316101429 /nfs/dbraw/zinc/10/14/29/316101429.db2.gz GRAJGBUJWCVLHJ-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165465 316101430 /nfs/dbraw/zinc/10/14/30/316101430.db2.gz GRAJGBUJWCVLHJ-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165465 316101432 /nfs/dbraw/zinc/10/14/32/316101432.db2.gz GRAJGBUJWCVLHJ-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000576247289 316110772 /nfs/dbraw/zinc/11/07/72/316110772.db2.gz PURGIGZWIPBFMK-AWEZNQCLSA-N 2 2 323.444 3.207 20 0 DGADLP CC1CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000576398184 316125784 /nfs/dbraw/zinc/12/57/84/316125784.db2.gz WMTQZGXWWADZBT-UHFFFAOYSA-N 2 2 315.505 3.367 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000577103352 316202704 /nfs/dbraw/zinc/20/27/04/316202704.db2.gz FPBPIJXOLLJDKJ-OAHLLOKOSA-N 2 2 308.784 3.048 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000577147974 316206611 /nfs/dbraw/zinc/20/66/11/316206611.db2.gz OPWZMOVJDZGIFU-IBGZPJMESA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000577147974 316206614 /nfs/dbraw/zinc/20/66/14/316206614.db2.gz OPWZMOVJDZGIFU-IBGZPJMESA-N 2 2 308.510 3.388 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000577227100 316215085 /nfs/dbraw/zinc/21/50/85/316215085.db2.gz IYMLWJLUIOROPE-AHRSYUTCSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000577227100 316215090 /nfs/dbraw/zinc/21/50/90/316215090.db2.gz IYMLWJLUIOROPE-AHRSYUTCSA-N 2 2 322.452 3.415 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000578004959 316293201 /nfs/dbraw/zinc/29/32/01/316293201.db2.gz SOBJWFYBVCKURX-GOSISDBHSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000181734234 323266605 /nfs/dbraw/zinc/26/66/05/323266605.db2.gz NUIBNDWITWHCLR-LULLPPNCSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000181734234 323266609 /nfs/dbraw/zinc/26/66/09/323266609.db2.gz NUIBNDWITWHCLR-LULLPPNCSA-N 2 2 316.489 3.300 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)nc1 ZINC000183282976 323332405 /nfs/dbraw/zinc/33/24/05/323332405.db2.gz WTOOOGAGAZDMKZ-SFHVURJKSA-N 2 2 310.376 3.187 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183566715 323341422 /nfs/dbraw/zinc/34/14/22/323341422.db2.gz UJCJRJZFTXEJBE-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183566715 323341428 /nfs/dbraw/zinc/34/14/28/323341428.db2.gz UJCJRJZFTXEJBE-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000386109303 323634973 /nfs/dbraw/zinc/63/49/73/323634973.db2.gz AKXQDZWBPGYFQA-BEFAXECRSA-N 2 2 313.445 3.464 20 0 DGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000388816848 323655766 /nfs/dbraw/zinc/65/57/66/323655766.db2.gz KZVQJAHVFJPTHQ-UHFFFAOYSA-N 2 2 302.462 3.439 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)Cc1c[nH+]c2ccc(C)cn12 ZINC000578939796 323802966 /nfs/dbraw/zinc/80/29/66/323802966.db2.gz PMFPRGRSBLYVCD-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP Cc1[nH]c(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)[nH+]c1C ZINC000579006642 323811493 /nfs/dbraw/zinc/81/14/93/323811493.db2.gz PYBQCYKSAGFMHN-OAHLLOKOSA-N 2 2 314.433 3.032 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000580952743 324057328 /nfs/dbraw/zinc/05/73/28/324057328.db2.gz RXOPEMMEZAFZOR-RDJZCZTQSA-N 2 2 300.446 3.049 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000580952743 324057333 /nfs/dbraw/zinc/05/73/33/324057333.db2.gz RXOPEMMEZAFZOR-RDJZCZTQSA-N 2 2 300.446 3.049 20 0 DGADLP Cc1noc(C[C@H]([NH2+]CCc2cc[nH+]cc2C)c2ccccc2)n1 ZINC000581187597 324085204 /nfs/dbraw/zinc/08/52/04/324085204.db2.gz DFEBSDAKQBBPBR-SFHVURJKSA-N 2 2 322.412 3.198 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000581741517 324152666 /nfs/dbraw/zinc/15/26/66/324152666.db2.gz XCBRDISGTVLRDZ-NSISKUIASA-N 2 2 314.473 3.429 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000581741517 324152667 /nfs/dbraw/zinc/15/26/67/324152667.db2.gz XCBRDISGTVLRDZ-NSISKUIASA-N 2 2 314.473 3.429 20 0 DGADLP CCc1nc(C[N@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cs1 ZINC000582184033 324200610 /nfs/dbraw/zinc/20/06/10/324200610.db2.gz JQAZHIBDYZUXHG-ZDUSSCGKSA-N 2 2 307.438 3.019 20 0 DGADLP CCc1nc(C[N@@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cs1 ZINC000582184033 324200614 /nfs/dbraw/zinc/20/06/14/324200614.db2.gz JQAZHIBDYZUXHG-ZDUSSCGKSA-N 2 2 307.438 3.019 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)n1C ZINC000582557020 324245812 /nfs/dbraw/zinc/24/58/12/324245812.db2.gz JWGRUORFBHSRQO-AWEZNQCLSA-N 2 2 311.351 3.239 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000583018682 324302421 /nfs/dbraw/zinc/30/24/21/324302421.db2.gz BOJLMYLRLYITDV-QAPCUYQASA-N 2 2 311.429 3.002 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000583183343 324322779 /nfs/dbraw/zinc/32/27/79/324322779.db2.gz CTVFZWJBVBTJLP-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000583183343 324322786 /nfs/dbraw/zinc/32/27/86/324322786.db2.gz CTVFZWJBVBTJLP-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)Cc1ccccc1 ZINC000584266345 332176579 /nfs/dbraw/zinc/17/65/79/332176579.db2.gz BBOFFAJFGFOSKH-IOJLRTSASA-N 2 2 316.489 3.241 20 0 DGADLP CCc1ccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000584634784 337374663 /nfs/dbraw/zinc/37/46/63/337374663.db2.gz LMFJPSAFEDSMHY-FQEVSTJZSA-N 2 2 309.457 3.398 20 0 DGADLP CCc1ccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000584634784 337374664 /nfs/dbraw/zinc/37/46/64/337374664.db2.gz LMFJPSAFEDSMHY-FQEVSTJZSA-N 2 2 309.457 3.398 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449050264 500839165 /nfs/dbraw/zinc/83/91/65/500839165.db2.gz UCAZJLPQEWGDHA-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449050264 500839169 /nfs/dbraw/zinc/83/91/69/500839169.db2.gz UCAZJLPQEWGDHA-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449050264 500839171 /nfs/dbraw/zinc/83/91/71/500839171.db2.gz UCAZJLPQEWGDHA-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000449050264 500839174 /nfs/dbraw/zinc/83/91/74/500839174.db2.gz UCAZJLPQEWGDHA-LPHOPBHVSA-N 2 2 314.473 3.452 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761920 533892786 /nfs/dbraw/zinc/89/27/86/533892786.db2.gz YIWBLEJCWDJUTI-QFBILLFUSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761920 533892790 /nfs/dbraw/zinc/89/27/90/533892790.db2.gz YIWBLEJCWDJUTI-QFBILLFUSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294909765 533911921 /nfs/dbraw/zinc/91/19/21/533911921.db2.gz AWMFYNCRZYGFAR-STQMWFEESA-N 2 2 309.404 3.102 20 0 DGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000294909765 533911934 /nfs/dbraw/zinc/91/19/34/533911934.db2.gz AWMFYNCRZYGFAR-STQMWFEESA-N 2 2 309.404 3.102 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cs1 ZINC000430543259 533918167 /nfs/dbraw/zinc/91/81/67/533918167.db2.gz DUOSUDYULKVPGA-KRWDZBQOSA-N 2 2 317.458 3.036 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414898941 533931682 /nfs/dbraw/zinc/93/16/82/533931682.db2.gz BBTGBBUNXSXIRH-LLVKDONJSA-N 2 2 303.233 3.234 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(Br)c1 ZINC000430138534 533957154 /nfs/dbraw/zinc/95/71/54/533957154.db2.gz YPRBOLSAHKFARD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000430138534 533957156 /nfs/dbraw/zinc/95/71/56/533957156.db2.gz YPRBOLSAHKFARD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000430138534 533957163 /nfs/dbraw/zinc/95/71/63/533957163.db2.gz YPRBOLSAHKFARD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000430138534 533957171 /nfs/dbraw/zinc/95/71/71/533957171.db2.gz YPRBOLSAHKFARD-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000430954681 533961592 /nfs/dbraw/zinc/96/15/92/533961592.db2.gz KEFQHFJOSMKNFF-WMLDXEAASA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000430954681 533961597 /nfs/dbraw/zinc/96/15/97/533961597.db2.gz KEFQHFJOSMKNFF-WMLDXEAASA-N 2 2 315.486 3.097 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc[nH+]1 ZINC000302134746 534002330 /nfs/dbraw/zinc/00/23/30/534002330.db2.gz HOZVLWXHYOQERG-GUDVDZBRSA-N 2 2 322.456 3.498 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc[nH+]1 ZINC000302134746 534002340 /nfs/dbraw/zinc/00/23/40/534002340.db2.gz HOZVLWXHYOQERG-GUDVDZBRSA-N 2 2 322.456 3.498 20 0 DGADLP C[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000432238010 534063210 /nfs/dbraw/zinc/06/32/10/534063210.db2.gz MCJUEYJAHJDBJV-JTQLQIEISA-N 2 2 323.289 3.113 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000430656317 534088694 /nfs/dbraw/zinc/08/86/94/534088694.db2.gz SYAWKIBYGQGHHF-WMLDXEAASA-N 2 2 309.413 3.033 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000430656317 534088697 /nfs/dbraw/zinc/08/86/97/534088697.db2.gz SYAWKIBYGQGHHF-WMLDXEAASA-N 2 2 309.413 3.033 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376940 534110111 /nfs/dbraw/zinc/11/01/11/534110111.db2.gz JLHWLEZKWKJYHU-KKSFZXQISA-N 3 2 321.468 3.215 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376940 534110121 /nfs/dbraw/zinc/11/01/21/534110121.db2.gz JLHWLEZKWKJYHU-KKSFZXQISA-N 3 2 321.468 3.215 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H]3CC[C@@H](C)C3)c2cc1C ZINC000429573286 534139653 /nfs/dbraw/zinc/13/96/53/534139653.db2.gz YUESCCKEXGFSMC-XOKHGSTOSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H]3CC[C@@H](C)C3)c2cc1C ZINC000429573286 534139662 /nfs/dbraw/zinc/13/96/62/534139662.db2.gz YUESCCKEXGFSMC-XOKHGSTOSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000449405059 535948448 /nfs/dbraw/zinc/94/84/48/535948448.db2.gz WXSWWDAVHOKJSY-JSGCOSHPSA-N 2 2 310.404 3.054 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C[NH3+])C3CCCC3)s2)o1 ZINC000415063502 534217320 /nfs/dbraw/zinc/21/73/20/534217320.db2.gz IIQQZXRNTDJDTJ-CQSZACIVSA-N 2 2 305.447 3.319 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)s1 ZINC000432117966 534365082 /nfs/dbraw/zinc/36/50/82/534365082.db2.gz VQPNPBVPIXLBDT-CQSZACIVSA-N 2 2 316.474 3.282 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)s1 ZINC000432117966 534365094 /nfs/dbraw/zinc/36/50/94/534365094.db2.gz VQPNPBVPIXLBDT-CQSZACIVSA-N 2 2 316.474 3.282 20 0 DGADLP Fc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415056611 534442707 /nfs/dbraw/zinc/44/27/07/534442707.db2.gz SQJFRXORPNWJKO-DLBZAZTESA-N 2 2 304.796 3.324 20 0 DGADLP Cc1cnc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)s1 ZINC000294731642 534554692 /nfs/dbraw/zinc/55/46/92/534554692.db2.gz IYBFVSQJSBMWRW-UHFFFAOYSA-N 2 2 300.431 3.290 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)c(Br)c2)C1 ZINC000157051704 522083857 /nfs/dbraw/zinc/08/38/57/522083857.db2.gz FDGXAXUOCNCURB-CQSZACIVSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)c(Br)c2)C1 ZINC000157051704 522083864 /nfs/dbraw/zinc/08/38/64/522083864.db2.gz FDGXAXUOCNCURB-CQSZACIVSA-N 2 2 311.267 3.189 20 0 DGADLP Clc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427118952 534632459 /nfs/dbraw/zinc/63/24/59/534632459.db2.gz CZTGQUKRNUJZQX-CZUORRHYSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1cc2cccnc2c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427118952 534632463 /nfs/dbraw/zinc/63/24/63/534632463.db2.gz CZTGQUKRNUJZQX-CZUORRHYSA-N 2 2 301.821 3.072 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430545472 534639132 /nfs/dbraw/zinc/63/91/32/534639132.db2.gz QSOQPBIAPXEKTK-KRWDZBQOSA-N 2 2 319.493 3.362 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430545472 534639134 /nfs/dbraw/zinc/63/91/34/534639134.db2.gz QSOQPBIAPXEKTK-KRWDZBQOSA-N 2 2 319.493 3.362 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430587434 534642756 /nfs/dbraw/zinc/64/27/56/534642756.db2.gz ZKEQSAQECLVZLI-HNNXBMFYSA-N 2 2 319.493 3.362 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430587434 534642759 /nfs/dbraw/zinc/64/27/59/534642759.db2.gz ZKEQSAQECLVZLI-HNNXBMFYSA-N 2 2 319.493 3.362 20 0 DGADLP Clc1ccccc1CN1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000415064468 534650742 /nfs/dbraw/zinc/65/07/42/534650742.db2.gz CPSYRUKMNFZSJP-KRWDZBQOSA-N 2 2 321.896 3.036 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000158269018 524809230 /nfs/dbraw/zinc/80/92/30/524809230.db2.gz UNZBDBFIBLCUJK-JQWIXIFHSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Br)CC[N@H+]1C ZINC000158269018 524809240 /nfs/dbraw/zinc/80/92/40/524809240.db2.gz UNZBDBFIBLCUJK-JQWIXIFHSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154826887 525674349 /nfs/dbraw/zinc/67/43/49/525674349.db2.gz MRFBJXDBFWCJIP-ZBEGNZNMSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154826887 525674351 /nfs/dbraw/zinc/67/43/51/525674351.db2.gz MRFBJXDBFWCJIP-ZBEGNZNMSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H]1C[N@H+](C)CCO1 ZINC000154827098 525675028 /nfs/dbraw/zinc/67/50/28/525675028.db2.gz MRFBJXDBFWCJIP-MEDUHNTESA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000154827098 525675036 /nfs/dbraw/zinc/67/50/36/525675036.db2.gz MRFBJXDBFWCJIP-MEDUHNTESA-N 2 2 305.809 3.019 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427888653 534879678 /nfs/dbraw/zinc/87/96/78/534879678.db2.gz XRUZFTUVBBVFNN-WCQYABFASA-N 2 2 304.463 3.437 20 0 DGADLP Brc1ccc2c(NCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000302131767 526644445 /nfs/dbraw/zinc/64/44/45/526644445.db2.gz KMSWTBJMYXLEGW-UHFFFAOYSA-N 2 2 317.190 3.306 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415037672 526819458 /nfs/dbraw/zinc/81/94/58/526819458.db2.gz HCHHVAOTRVIQCF-UONOGXRCSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415037672 526819467 /nfs/dbraw/zinc/81/94/67/526819467.db2.gz HCHHVAOTRVIQCF-UONOGXRCSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000319311781 526880843 /nfs/dbraw/zinc/88/08/43/526880843.db2.gz HODYHDQULBSISC-UHFFFAOYSA-N 2 2 304.482 3.127 20 0 DGADLP CC(C)CC[NH+]1CCC(CNc2cc[nH+]c3ccncc23)CC1 ZINC000444079441 527721344 /nfs/dbraw/zinc/72/13/44/527721344.db2.gz QDFFLOSHEUXJGA-UHFFFAOYSA-N 2 2 312.461 3.222 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000428104651 527880567 /nfs/dbraw/zinc/88/05/67/527880567.db2.gz XEKAMADRUALVID-MHJFOBGBSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000428104651 527880573 /nfs/dbraw/zinc/88/05/73/527880573.db2.gz XEKAMADRUALVID-MHJFOBGBSA-N 2 2 316.489 3.443 20 0 DGADLP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444782270 527916992 /nfs/dbraw/zinc/91/69/92/527916992.db2.gz IJLJXLUTXZNDCM-SFHVURJKSA-N 2 2 310.482 3.060 20 0 DGADLP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444782270 527916995 /nfs/dbraw/zinc/91/69/95/527916995.db2.gz IJLJXLUTXZNDCM-SFHVURJKSA-N 2 2 310.482 3.060 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000430567623 527942987 /nfs/dbraw/zinc/94/29/87/527942987.db2.gz FBHBONVJEIWCGV-SFHVURJKSA-N 2 2 317.502 3.391 20 0 DGADLP CC(C)c1ccc(C[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000430555636 528092865 /nfs/dbraw/zinc/09/28/65/528092865.db2.gz SOPNOVLEGVMANL-UHFFFAOYSA-N 2 2 302.422 3.019 20 0 DGADLP CC(C)c1ccc(C[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000430555636 528092871 /nfs/dbraw/zinc/09/28/71/528092871.db2.gz SOPNOVLEGVMANL-UHFFFAOYSA-N 2 2 302.422 3.019 20 0 DGADLP CCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)cc(Cl)c1O ZINC000299268437 528275475 /nfs/dbraw/zinc/27/54/75/528275475.db2.gz QEKUCOKOSPCXKJ-UHFFFAOYSA-N 2 2 312.841 3.018 20 0 DGADLP CC(C)c1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000433770364 528292667 /nfs/dbraw/zinc/29/26/67/528292667.db2.gz DRPLWTMXJMRBQD-ZIAGYGMSSA-N 2 2 304.482 3.284 20 0 DGADLP CC(C)c1ncc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000331811118 528351739 /nfs/dbraw/zinc/35/17/39/528351739.db2.gz ZDMSZIHHEQYPBF-WFASDCNBSA-N 2 2 320.462 3.010 20 0 DGADLP CCCCOc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000415048874 528655293 /nfs/dbraw/zinc/65/52/93/528655293.db2.gz XOHDUNJQQBMOOR-QGZVFWFLSA-N 2 2 306.450 3.104 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000429230170 528862902 /nfs/dbraw/zinc/86/29/02/528862902.db2.gz KHVWMOREFPECGI-QGZVFWFLSA-N 3 2 306.498 3.032 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000429230170 528862906 /nfs/dbraw/zinc/86/29/06/528862906.db2.gz KHVWMOREFPECGI-QGZVFWFLSA-N 3 2 306.498 3.032 20 0 DGADLP CCCn1cc[nH+]c1CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000429230170 528862909 /nfs/dbraw/zinc/86/29/09/528862909.db2.gz KHVWMOREFPECGI-QGZVFWFLSA-N 3 2 306.498 3.032 20 0 DGADLP CCCn1cc[nH+]c1CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000429230170 528862912 /nfs/dbraw/zinc/86/29/12/528862912.db2.gz KHVWMOREFPECGI-QGZVFWFLSA-N 3 2 306.498 3.032 20 0 DGADLP CC[N@H+](Cc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435629842 528887275 /nfs/dbraw/zinc/88/72/75/528887275.db2.gz VALKXECEGJEZCQ-CYBMUJFWSA-N 2 2 322.403 3.395 20 0 DGADLP CC[N@@H+](Cc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435629842 528887281 /nfs/dbraw/zinc/88/72/81/528887281.db2.gz VALKXECEGJEZCQ-CYBMUJFWSA-N 2 2 322.403 3.395 20 0 DGADLP CCCC[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415135758 528893793 /nfs/dbraw/zinc/89/37/93/528893793.db2.gz QMXSZAUGYQGYNZ-KRWDZBQOSA-N 3 2 303.494 3.148 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443989394 529000920 /nfs/dbraw/zinc/00/09/20/529000920.db2.gz QQSQOWJGPDCXBS-UHFFFAOYSA-N 2 2 307.385 3.124 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486972208 535017385 /nfs/dbraw/zinc/01/73/85/535017385.db2.gz TWOMWHPSCLWTQV-LPHOPBHVSA-N 2 2 318.530 3.412 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486972208 535017392 /nfs/dbraw/zinc/01/73/92/535017392.db2.gz TWOMWHPSCLWTQV-LPHOPBHVSA-N 2 2 318.530 3.412 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000471803863 535215624 /nfs/dbraw/zinc/21/56/24/535215624.db2.gz JZCJCUXZFAAYGH-IEBWSBKVSA-N 2 2 318.505 3.428 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000471803863 535215627 /nfs/dbraw/zinc/21/56/27/535215627.db2.gz JZCJCUXZFAAYGH-IEBWSBKVSA-N 2 2 318.505 3.428 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471798457 535215709 /nfs/dbraw/zinc/21/57/09/535215709.db2.gz KJOVYPXUHKLVMV-WMZOPIPTSA-N 2 2 304.478 3.180 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471798457 535215714 /nfs/dbraw/zinc/21/57/14/535215714.db2.gz KJOVYPXUHKLVMV-WMZOPIPTSA-N 2 2 304.478 3.180 20 0 DGADLP CC[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449433951 536079415 /nfs/dbraw/zinc/07/94/15/536079415.db2.gz OMOQAOPNYOLDKX-IRXDYDNUSA-N 2 2 301.478 3.462 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC([NH2+]C)CC1 ZINC000469998853 536122969 /nfs/dbraw/zinc/12/29/69/536122969.db2.gz ISWXHVSZOJFING-HNNXBMFYSA-N 2 2 321.484 3.492 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000088721727 545812322 /nfs/dbraw/zinc/81/23/22/545812322.db2.gz CHCJZHPYKDTAGG-QAPCUYQASA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000088721727 545812327 /nfs/dbraw/zinc/81/23/27/545812327.db2.gz CHCJZHPYKDTAGG-QAPCUYQASA-N 2 2 304.503 3.240 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000090185248 545822700 /nfs/dbraw/zinc/82/27/00/545822700.db2.gz RXUHBPZNGCLSDQ-HXUWFJFHSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(CO)c2)C[N@H+]1Cc1ccccc1 ZINC000090185248 545822702 /nfs/dbraw/zinc/82/27/02/545822702.db2.gz RXUHBPZNGCLSDQ-HXUWFJFHSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCOCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000090185477 545822808 /nfs/dbraw/zinc/82/28/08/545822808.db2.gz KYNHXUYIQDZKRZ-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCOCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000090185477 545822812 /nfs/dbraw/zinc/82/28/12/545822812.db2.gz KYNHXUYIQDZKRZ-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP COCCOc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000093660129 545858074 /nfs/dbraw/zinc/85/80/74/545858074.db2.gz OTJJDVNIPMDZBR-GOSISDBHSA-N 2 2 320.477 3.018 20 0 DGADLP COCCOc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000093660129 545858077 /nfs/dbraw/zinc/85/80/77/545858077.db2.gz OTJJDVNIPMDZBR-GOSISDBHSA-N 2 2 320.477 3.018 20 0 DGADLP COCCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000093660129 545858081 /nfs/dbraw/zinc/85/80/81/545858081.db2.gz OTJJDVNIPMDZBR-GOSISDBHSA-N 2 2 320.477 3.018 20 0 DGADLP COCCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000093660129 545858083 /nfs/dbraw/zinc/85/80/83/545858083.db2.gz OTJJDVNIPMDZBR-GOSISDBHSA-N 2 2 320.477 3.018 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000121324993 545894837 /nfs/dbraw/zinc/89/48/37/545894837.db2.gz NBTWYNZBFVMRLL-UYAOXDASSA-N 2 2 314.473 3.090 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000121324993 545894844 /nfs/dbraw/zinc/89/48/44/545894844.db2.gz NBTWYNZBFVMRLL-UYAOXDASSA-N 2 2 314.473 3.090 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000133894740 545969915 /nfs/dbraw/zinc/96/99/15/545969915.db2.gz DCDWOLLUQNCHFK-OXJNMPFZSA-N 3 2 317.521 3.172 20 0 DGADLP C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151318214 545991919 /nfs/dbraw/zinc/99/19/19/545991919.db2.gz CJIHQQZNLXPXAS-CYBMUJFWSA-N 2 2 303.356 3.243 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCc4ccccc4C3)[nH+]c12 ZINC000156302109 546033162 /nfs/dbraw/zinc/03/31/62/546033162.db2.gz BFJGDERAPDPKSB-GOSISDBHSA-N 2 2 305.425 3.332 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000163680067 546083298 /nfs/dbraw/zinc/08/32/98/546083298.db2.gz POPDMEBYVSKZGE-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000180113178 546141312 /nfs/dbraw/zinc/14/13/12/546141312.db2.gz HEZWLOABRIOADP-CQSZACIVSA-N 2 2 300.450 3.409 20 0 DGADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000180113178 546141316 /nfs/dbraw/zinc/14/13/16/546141316.db2.gz HEZWLOABRIOADP-CQSZACIVSA-N 2 2 300.450 3.409 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2C)cc1 ZINC000180022460 546141560 /nfs/dbraw/zinc/14/15/60/546141560.db2.gz NBGWYKVCETZERG-AWEZNQCLSA-N 2 2 300.450 3.411 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000237123353 546283920 /nfs/dbraw/zinc/28/39/20/546283920.db2.gz NJSYVQAEKGRYTN-IPMKNSEASA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000237123353 546283923 /nfs/dbraw/zinc/28/39/23/546283923.db2.gz NJSYVQAEKGRYTN-IPMKNSEASA-N 2 2 302.462 3.198 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245943145 546301268 /nfs/dbraw/zinc/30/12/68/546301268.db2.gz KBTCKIIHEIYBEO-MPGHIAIKSA-N 2 2 312.461 3.422 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245943145 546301270 /nfs/dbraw/zinc/30/12/70/546301270.db2.gz KBTCKIIHEIYBEO-MPGHIAIKSA-N 2 2 312.461 3.422 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@H]1[NH3+] ZINC000251796739 546330194 /nfs/dbraw/zinc/33/01/94/546330194.db2.gz NWHDRZVUGFFNNL-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@H]1[NH3+] ZINC000251796739 546330196 /nfs/dbraw/zinc/33/01/96/546330196.db2.gz NWHDRZVUGFFNNL-QMTHXVAHSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000279773580 546376499 /nfs/dbraw/zinc/37/64/99/546376499.db2.gz ALKFMOKABXQEOJ-OXQOHEQNSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000279773580 546376504 /nfs/dbraw/zinc/37/65/04/546376504.db2.gz ALKFMOKABXQEOJ-OXQOHEQNSA-N 2 2 309.457 3.043 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC000280177900 546380937 /nfs/dbraw/zinc/38/09/37/546380937.db2.gz RNFAXCAWIWATLO-XYPHTWIQSA-N 2 2 318.461 3.009 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)CC2 ZINC000280177900 546380941 /nfs/dbraw/zinc/38/09/41/546380941.db2.gz RNFAXCAWIWATLO-XYPHTWIQSA-N 2 2 318.461 3.009 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ncc[nH]1 ZINC000286292810 546402827 /nfs/dbraw/zinc/40/28/27/546402827.db2.gz WHPUKUFQRRTIGW-OAHLLOKOSA-N 2 2 324.428 3.486 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ncc[nH]1 ZINC000286292810 546402832 /nfs/dbraw/zinc/40/28/32/546402832.db2.gz WHPUKUFQRRTIGW-OAHLLOKOSA-N 2 2 324.428 3.486 20 0 DGADLP COc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1F ZINC000303610374 546440234 /nfs/dbraw/zinc/44/02/34/546440234.db2.gz MQFCYYPNVMEKLT-UHFFFAOYSA-N 2 2 316.420 3.446 20 0 DGADLP COc1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1F ZINC000303610374 546440236 /nfs/dbraw/zinc/44/02/36/546440236.db2.gz MQFCYYPNVMEKLT-UHFFFAOYSA-N 2 2 316.420 3.446 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCCc4cccnc43)CC2)[nH+]c1 ZINC000321664239 546471906 /nfs/dbraw/zinc/47/19/06/546471906.db2.gz RHFFSFRIDAHCQV-QGZVFWFLSA-N 2 2 308.429 3.113 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c[nH+]1 ZINC000354578852 546674896 /nfs/dbraw/zinc/67/48/96/546674896.db2.gz SWESFSWWEVASIA-QRQCRPRQSA-N 2 2 316.470 3.411 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000355214196 546679048 /nfs/dbraw/zinc/67/90/48/546679048.db2.gz GVGRONSDSDIUGR-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000355214196 546679053 /nfs/dbraw/zinc/67/90/53/546679053.db2.gz GVGRONSDSDIUGR-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP CC[NH+](CC)C[C@@H](C)Nc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357181857 546697538 /nfs/dbraw/zinc/69/75/38/546697538.db2.gz DLSHPAWXMUWIKC-CYBMUJFWSA-N 2 2 319.424 3.084 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)Cc2ccc(F)cc2)nc(C)[nH+]1 ZINC000359731622 546711553 /nfs/dbraw/zinc/71/15/53/546711553.db2.gz RKJYZTUPUQVFJO-UHFFFAOYSA-N 2 2 316.424 3.055 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(c2cc(C)[nH+]c(C)n2)C3)cc1 ZINC000362953338 546723956 /nfs/dbraw/zinc/72/39/56/546723956.db2.gz YSQOZSPEHUXZGT-UHFFFAOYSA-N 2 2 319.412 3.150 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000381116744 546737077 /nfs/dbraw/zinc/73/70/77/546737077.db2.gz DDMSHOFBWLIPPJ-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000381116744 546737084 /nfs/dbraw/zinc/73/70/84/546737084.db2.gz DDMSHOFBWLIPPJ-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000381052173 546738240 /nfs/dbraw/zinc/73/82/40/546738240.db2.gz HJEBCQAQKDLITP-KKSFZXQISA-N 2 2 306.453 3.406 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000381052173 546738246 /nfs/dbraw/zinc/73/82/46/546738246.db2.gz HJEBCQAQKDLITP-KKSFZXQISA-N 2 2 306.453 3.406 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000401163456 546764784 /nfs/dbraw/zinc/76/47/84/546764784.db2.gz PIOMCXIUEYNDKL-RXVVDRJESA-N 2 2 323.484 3.351 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000401163456 546764787 /nfs/dbraw/zinc/76/47/87/546764787.db2.gz PIOMCXIUEYNDKL-RXVVDRJESA-N 2 2 323.484 3.351 20 0 DGADLP Cc1ccc(SC[C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419683797 546803959 /nfs/dbraw/zinc/80/39/59/546803959.db2.gz KXCPKFSJZUYLNX-AWEZNQCLSA-N 2 2 318.490 3.065 20 0 DGADLP Cc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc(C)[nH+]1 ZINC000432928254 546818254 /nfs/dbraw/zinc/81/82/54/546818254.db2.gz QWSKRNZWFWLZQW-UHFFFAOYSA-N 2 2 311.433 3.010 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2nccn21 ZINC000453344672 546860814 /nfs/dbraw/zinc/86/08/14/546860814.db2.gz JBRZRJQXUOCFSQ-UBDQQSCGSA-N 2 2 310.445 3.314 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2nccn21 ZINC000453344672 546860816 /nfs/dbraw/zinc/86/08/16/546860816.db2.gz JBRZRJQXUOCFSQ-UBDQQSCGSA-N 2 2 310.445 3.314 20 0 DGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000459660880 546893551 /nfs/dbraw/zinc/89/35/51/546893551.db2.gz LUPQZUGDOOEQES-HIFPTAJRSA-N 2 2 303.372 3.309 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1scnc1C1CC1)CCC2 ZINC000487281644 546917922 /nfs/dbraw/zinc/91/79/22/546917922.db2.gz YQFJOGKDUKULAJ-ZDUSSCGKSA-N 2 2 302.447 3.193 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000494493172 546935160 /nfs/dbraw/zinc/93/51/60/546935160.db2.gz MYQMRIRSDYTGJA-GDAAHCPNSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494493172 546935161 /nfs/dbraw/zinc/93/51/61/546935161.db2.gz MYQMRIRSDYTGJA-GDAAHCPNSA-N 2 2 302.462 3.369 20 0 DGADLP CSc1ccc(C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000653688327 547074429 /nfs/dbraw/zinc/07/44/29/547074429.db2.gz ZFZIOXYLNLABQY-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1ccc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000653688327 547074433 /nfs/dbraw/zinc/07/44/33/547074433.db2.gz ZFZIOXYLNLABQY-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP Cc1ccc(OCC[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667490305 547199401 /nfs/dbraw/zinc/19/94/01/547199401.db2.gz XUUHPWXZWLUEKJ-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1ccc(OCC[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667490305 547199411 /nfs/dbraw/zinc/19/94/11/547199411.db2.gz XUUHPWXZWLUEKJ-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP c1cc(C[N@H+](Cc2ccccc2)C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000667494217 547202018 /nfs/dbraw/zinc/20/20/18/547202018.db2.gz RCEJFHNPFNAWNY-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP c1cc(C[N@@H+](Cc2ccccc2)C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000667494217 547202023 /nfs/dbraw/zinc/20/20/23/547202023.db2.gz RCEJFHNPFNAWNY-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H](c3nc4ccccc4o3)C1)CCC2 ZINC000667496130 547202226 /nfs/dbraw/zinc/20/22/26/547202226.db2.gz JFIFTYXKDYBYDZ-AWEZNQCLSA-N 2 2 322.412 3.350 20 0 DGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H](c3nc4ccccc4o3)C1)CCC2 ZINC000667496130 547202230 /nfs/dbraw/zinc/20/22/30/547202230.db2.gz JFIFTYXKDYBYDZ-AWEZNQCLSA-N 2 2 322.412 3.350 20 0 DGADLP C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667535149 547214191 /nfs/dbraw/zinc/21/41/91/547214191.db2.gz ZRLBIGYYUAQUCU-HNNXBMFYSA-N 2 2 320.396 3.223 20 0 DGADLP C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667535149 547214196 /nfs/dbraw/zinc/21/41/96/547214196.db2.gz ZRLBIGYYUAQUCU-HNNXBMFYSA-N 2 2 320.396 3.223 20 0 DGADLP COCCCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667558742 547224793 /nfs/dbraw/zinc/22/47/93/547224793.db2.gz QHXNXOLIQASCEB-UHFFFAOYSA-N 2 2 301.434 3.157 20 0 DGADLP COCCCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667558742 547224798 /nfs/dbraw/zinc/22/47/98/547224798.db2.gz QHXNXOLIQASCEB-UHFFFAOYSA-N 2 2 301.434 3.157 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(OCC3CCCCC3)CC2)n1C ZINC000667564538 547227718 /nfs/dbraw/zinc/22/77/18/547227718.db2.gz PMUIMNLJTYLXMQ-UHFFFAOYSA-N 2 2 305.466 3.290 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)n1C ZINC000667564345 547227838 /nfs/dbraw/zinc/22/78/38/547227838.db2.gz JNVFHGIBTUMPSW-GOSISDBHSA-N 2 2 317.408 3.049 20 0 DGADLP Cc1[nH+]cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)n1C ZINC000667564345 547227841 /nfs/dbraw/zinc/22/78/41/547227841.db2.gz JNVFHGIBTUMPSW-GOSISDBHSA-N 2 2 317.408 3.049 20 0 DGADLP c1cc(C[N@@H+]2CCCc3sccc3C2)n(-c2cc[nH+]cc2)n1 ZINC000667616284 547243264 /nfs/dbraw/zinc/24/32/64/547243264.db2.gz NJLOCAVWHHIJFF-UHFFFAOYSA-N 2 2 310.426 3.277 20 0 DGADLP c1cc(C[N@H+]2CCCc3sccc3C2)n(-c2cc[nH+]cc2)n1 ZINC000667616284 547243268 /nfs/dbraw/zinc/24/32/68/547243268.db2.gz NJLOCAVWHHIJFF-UHFFFAOYSA-N 2 2 310.426 3.277 20 0 DGADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667630015 547250334 /nfs/dbraw/zinc/25/03/34/547250334.db2.gz UVXPOXNLJOTMGX-AWEZNQCLSA-N 2 2 302.447 3.104 20 0 DGADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667630015 547250335 /nfs/dbraw/zinc/25/03/35/547250335.db2.gz UVXPOXNLJOTMGX-AWEZNQCLSA-N 2 2 302.447 3.104 20 0 DGADLP Cc1ncsc1-c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000667645926 547255930 /nfs/dbraw/zinc/25/59/30/547255930.db2.gz DDIPGMWJJUPOTD-DLBZAZTESA-N 2 2 313.470 3.302 20 0 DGADLP Cc1ncsc1-c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000667645926 547255932 /nfs/dbraw/zinc/25/59/32/547255932.db2.gz DDIPGMWJJUPOTD-DLBZAZTESA-N 2 2 313.470 3.302 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)n1C ZINC000667670740 547269027 /nfs/dbraw/zinc/26/90/27/547269027.db2.gz XSRNXNRPAAKSOU-HNAYVOBHSA-N 2 2 313.445 3.307 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)n1C ZINC000667670740 547269028 /nfs/dbraw/zinc/26/90/28/547269028.db2.gz XSRNXNRPAAKSOU-HNAYVOBHSA-N 2 2 313.445 3.307 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]4C[C@@H]43)[nH+]c2)CC1 ZINC000667906910 547331425 /nfs/dbraw/zinc/33/14/25/547331425.db2.gz BCXHOJWMSBWENM-FHLIZLRMSA-N 2 2 314.477 3.213 20 0 DGADLP CCOc1ccc(C2=CC[N@H+](Cc3c[nH+]c(C)n3C)CC2)cc1 ZINC000667951688 547344132 /nfs/dbraw/zinc/34/41/32/547344132.db2.gz HJOUMUHVMZAOBU-UHFFFAOYSA-N 2 2 311.429 3.417 20 0 DGADLP CCOc1ccc(C2=CC[N@@H+](Cc3c[nH+]c(C)n3C)CC2)cc1 ZINC000667951688 547344136 /nfs/dbraw/zinc/34/41/36/547344136.db2.gz HJOUMUHVMZAOBU-UHFFFAOYSA-N 2 2 311.429 3.417 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c[nH+]c3n1CCC3)[C@@H]2C ZINC000667963630 547348624 /nfs/dbraw/zinc/34/86/24/547348624.db2.gz OQMFWEYOHXGJLR-ZIAGYGMSSA-N 2 2 311.429 3.346 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c[nH+]c3n1CCC3)[C@@H]2C ZINC000667963630 547348631 /nfs/dbraw/zinc/34/86/31/547348631.db2.gz OQMFWEYOHXGJLR-ZIAGYGMSSA-N 2 2 311.429 3.346 20 0 DGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1cccs1 ZINC000668163801 547399220 /nfs/dbraw/zinc/39/92/20/547399220.db2.gz JKYIKGHPULSZGR-UHFFFAOYSA-N 2 2 306.479 3.089 20 0 DGADLP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668170313 547401672 /nfs/dbraw/zinc/40/16/72/547401672.db2.gz KOERDBGRWXDXBE-MRXNPFEDSA-N 2 2 301.438 3.186 20 0 DGADLP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668170313 547401676 /nfs/dbraw/zinc/40/16/76/547401676.db2.gz KOERDBGRWXDXBE-MRXNPFEDSA-N 2 2 301.438 3.186 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173593 547402866 /nfs/dbraw/zinc/40/28/66/547402866.db2.gz MKVJXWNLJQHCOV-MSOLQXFVSA-N 2 2 313.445 3.406 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173593 547402870 /nfs/dbraw/zinc/40/28/70/547402870.db2.gz MKVJXWNLJQHCOV-MSOLQXFVSA-N 2 2 313.445 3.406 20 0 DGADLP Cc1ccc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000668607786 547493239 /nfs/dbraw/zinc/49/32/39/547493239.db2.gz BXHXXCDNASSGNM-UHFFFAOYSA-N 2 2 318.424 3.250 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1Cl ZINC000668784294 547540540 /nfs/dbraw/zinc/54/05/40/547540540.db2.gz AQQGEJSZOTWZLA-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1Cl ZINC000668784294 547540543 /nfs/dbraw/zinc/54/05/43/547540543.db2.gz AQQGEJSZOTWZLA-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP COCCC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614729 547660929 /nfs/dbraw/zinc/66/09/29/547660929.db2.gz LTBUUPIPJMZCFX-OALUTQOASA-N 2 2 320.452 3.367 20 0 DGADLP COCCC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614729 547660934 /nfs/dbraw/zinc/66/09/34/547660934.db2.gz LTBUUPIPJMZCFX-OALUTQOASA-N 2 2 320.452 3.367 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000669615660 547662222 /nfs/dbraw/zinc/66/22/22/547662222.db2.gz AGUPJUJYCAJYIX-DOPJRALCSA-N 2 2 300.446 3.145 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000669615660 547662225 /nfs/dbraw/zinc/66/22/25/547662225.db2.gz AGUPJUJYCAJYIX-DOPJRALCSA-N 2 2 300.446 3.145 20 0 DGADLP C[C@@H](CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000670268204 547742267 /nfs/dbraw/zinc/74/22/67/547742267.db2.gz OAGUYJYIFBBMDW-HOCLYGCPSA-N 2 2 304.482 3.316 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H]3C3CC3)CC2)cc1 ZINC000671680394 547808411 /nfs/dbraw/zinc/80/84/11/547808411.db2.gz ZVNPPNAWVOQCRA-FQEVSTJZSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H]3C3CC3)CC2)cc1 ZINC000671680394 547808415 /nfs/dbraw/zinc/80/84/15/547808415.db2.gz ZVNPPNAWVOQCRA-FQEVSTJZSA-N 2 2 313.489 3.073 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@H]1C[N@H+](C)CCO1 ZINC000672240343 547867627 /nfs/dbraw/zinc/86/76/27/547867627.db2.gz SLQRSQCDJZWHBH-IAQYHMDHSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000672240343 547867633 /nfs/dbraw/zinc/86/76/33/547867633.db2.gz SLQRSQCDJZWHBH-IAQYHMDHSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880404 548129643 /nfs/dbraw/zinc/12/96/43/548129643.db2.gz GYLPQEOFYUAKRJ-IEBWSBKVSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880404 548129646 /nfs/dbraw/zinc/12/96/46/548129646.db2.gz GYLPQEOFYUAKRJ-IEBWSBKVSA-N 2 2 316.489 3.354 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000675766139 548266013 /nfs/dbraw/zinc/26/60/13/548266013.db2.gz WBLFTQOHENDAGO-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000675766139 548266016 /nfs/dbraw/zinc/26/60/16/548266016.db2.gz WBLFTQOHENDAGO-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767944 548267115 /nfs/dbraw/zinc/26/71/15/548267115.db2.gz UYSCSHUXNXPNDM-JSGCOSHPSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767944 548267119 /nfs/dbraw/zinc/26/71/19/548267119.db2.gz UYSCSHUXNXPNDM-JSGCOSHPSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000675768498 548267474 /nfs/dbraw/zinc/26/74/74/548267474.db2.gz YYNYKFCDYCQFEV-RYUDHWBXSA-N 2 2 302.340 3.330 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2cccs2)CC1 ZINC000675833172 548280572 /nfs/dbraw/zinc/28/05/72/548280572.db2.gz NSKFGFGHSZEILR-CQSZACIVSA-N 2 2 310.507 3.158 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)ccc1F ZINC000675882946 548284459 /nfs/dbraw/zinc/28/44/59/548284459.db2.gz VRPLPUKDAOLZKM-CZUORRHYSA-N 2 2 324.415 3.259 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)ccc1F ZINC000675882945 548284925 /nfs/dbraw/zinc/28/49/25/548284925.db2.gz VRPLPUKDAOLZKM-CJNGLKHVSA-N 2 2 324.415 3.259 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000676112861 548322579 /nfs/dbraw/zinc/32/25/79/548322579.db2.gz SFDANDLFPGXGMW-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000676112861 548322582 /nfs/dbraw/zinc/32/25/82/548322582.db2.gz SFDANDLFPGXGMW-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)(C)OCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749487 548549595 /nfs/dbraw/zinc/54/95/95/548549595.db2.gz LLZAYEPYXBNEPH-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)(C)OCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749487 548549598 /nfs/dbraw/zinc/54/95/98/548549598.db2.gz LLZAYEPYXBNEPH-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP CO[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749605 548550592 /nfs/dbraw/zinc/55/05/92/548550592.db2.gz KWWYDYYADQOMRI-ROUUACIJSA-N 2 2 304.478 3.300 20 0 DGADLP CO[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749605 548550594 /nfs/dbraw/zinc/55/05/94/548550594.db2.gz KWWYDYYADQOMRI-ROUUACIJSA-N 2 2 304.478 3.300 20 0 DGADLP c1[nH]cc(C2CC[NH+](CCN3CCCc4ccccc43)CC2)[nH+]1 ZINC000677762169 548553329 /nfs/dbraw/zinc/55/33/29/548553329.db2.gz JHYVEPPIPGBOCA-UHFFFAOYSA-N 2 2 310.445 3.042 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234793 548648799 /nfs/dbraw/zinc/64/87/99/548648799.db2.gz LCSHVMCZYZLRCS-GOSISDBHSA-N 2 2 321.428 3.419 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234793 548648804 /nfs/dbraw/zinc/64/88/04/548648804.db2.gz LCSHVMCZYZLRCS-GOSISDBHSA-N 2 2 321.428 3.419 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235061 548649736 /nfs/dbraw/zinc/64/97/36/548649736.db2.gz NVXSMFQRTSHUFI-IBGZPJMESA-N 2 2 321.428 3.214 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235061 548649741 /nfs/dbraw/zinc/64/97/41/548649741.db2.gz NVXSMFQRTSHUFI-IBGZPJMESA-N 2 2 321.428 3.214 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000678497378 548716647 /nfs/dbraw/zinc/71/66/47/548716647.db2.gz CCAXTSYRQUQEMF-IHJVYAAUSA-N 2 2 316.489 3.323 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678497378 548716653 /nfs/dbraw/zinc/71/66/53/548716653.db2.gz CCAXTSYRQUQEMF-IHJVYAAUSA-N 2 2 316.489 3.323 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000678546243 548725795 /nfs/dbraw/zinc/72/57/95/548725795.db2.gz FVTSTFPMMQBHIO-GPJFCIFZSA-N 2 2 316.489 3.324 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678546243 548725800 /nfs/dbraw/zinc/72/58/00/548725800.db2.gz FVTSTFPMMQBHIO-GPJFCIFZSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000678992601 548809331 /nfs/dbraw/zinc/80/93/31/548809331.db2.gz MJJGELPDNLFPLA-HIFRSBDPSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000678992601 548809338 /nfs/dbraw/zinc/80/93/38/548809338.db2.gz MJJGELPDNLFPLA-HIFRSBDPSA-N 2 2 316.474 3.302 20 0 DGADLP CCCC[C@@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044593 548822723 /nfs/dbraw/zinc/82/27/23/548822723.db2.gz PIVXOQVYYAHAHG-MJGOQNOKSA-N 2 2 304.478 3.182 20 0 DGADLP CCCC[C@@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044593 548822728 /nfs/dbraw/zinc/82/27/28/548822728.db2.gz PIVXOQVYYAHAHG-MJGOQNOKSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCCO1 ZINC000679114799 548831961 /nfs/dbraw/zinc/83/19/61/548831961.db2.gz OUUBGODWVGTAOK-DYVFJYSZSA-N 2 2 303.381 3.059 20 0 DGADLP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000679134998 548836051 /nfs/dbraw/zinc/83/60/51/548836051.db2.gz JSUYCUWIUMHNIL-UHFFFAOYSA-N 2 2 301.365 3.001 20 0 DGADLP CCC[NH+]1CCC([NH2+]CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000679467068 548899930 /nfs/dbraw/zinc/89/99/30/548899930.db2.gz KVJLGZULYWNKDC-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP Cc1ncc([C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)n1 ZINC000681657107 549236917 /nfs/dbraw/zinc/23/69/17/549236917.db2.gz VFZAIFNSULMVTA-OAHLLOKOSA-N 2 2 302.466 3.105 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000681699007 549243187 /nfs/dbraw/zinc/24/31/87/549243187.db2.gz QKEZJHYWYQPWOA-ZDUSSCGKSA-N 2 2 312.804 3.189 20 0 DGADLP COc1cccc2c(N3CCC[C@@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000681978921 549271772 /nfs/dbraw/zinc/27/17/72/549271772.db2.gz OSENDPXZLWMIKG-CQSZACIVSA-N 2 2 308.385 3.281 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000681988938 549272932 /nfs/dbraw/zinc/27/29/32/549272932.db2.gz ZPCIEHYJSPVGNL-INIZCTEOSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000681988938 549272937 /nfs/dbraw/zinc/27/29/37/549272937.db2.gz ZPCIEHYJSPVGNL-INIZCTEOSA-N 2 2 310.445 3.194 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000682133046 549293883 /nfs/dbraw/zinc/29/38/83/549293883.db2.gz KMAKIGNKMLMYTE-VQTJNVASSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000682133046 549293887 /nfs/dbraw/zinc/29/38/87/549293887.db2.gz KMAKIGNKMLMYTE-VQTJNVASSA-N 2 2 316.489 3.302 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000682133925 549294716 /nfs/dbraw/zinc/29/47/16/549294716.db2.gz DWXGQZIWYUITJN-ICSRJNTNSA-N 2 2 316.489 3.197 20 0 DGADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000683025981 549416905 /nfs/dbraw/zinc/41/69/05/549416905.db2.gz YGFPUDAVNXZGQS-YLJYHZDGSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000683025981 549416909 /nfs/dbraw/zinc/41/69/09/549416909.db2.gz YGFPUDAVNXZGQS-YLJYHZDGSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000683898692 549553683 /nfs/dbraw/zinc/55/36/83/549553683.db2.gz SGRRKNURMJBUQP-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000683898692 549553688 /nfs/dbraw/zinc/55/36/88/549553688.db2.gz SGRRKNURMJBUQP-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000683898692 549553694 /nfs/dbraw/zinc/55/36/94/549553694.db2.gz SGRRKNURMJBUQP-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000683898692 549553695 /nfs/dbraw/zinc/55/36/95/549553695.db2.gz SGRRKNURMJBUQP-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)[NH+](C)C)cc1 ZINC000684368411 549620320 /nfs/dbraw/zinc/62/03/20/549620320.db2.gz HVGPTOPJMJBSDB-QRVBRYPASA-N 2 2 304.478 3.399 20 0 DGADLP Cc1ccc(CCC[NH2+]C(C)(C)C(=O)Nc2ccccc2)c[nH+]1 ZINC000684377759 549622735 /nfs/dbraw/zinc/62/27/35/549622735.db2.gz DEZXDXFRSRHPNT-UHFFFAOYSA-N 2 2 311.429 3.330 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2COc3cc(F)cc(F)c32)c[nH+]1 ZINC000684395665 549628404 /nfs/dbraw/zinc/62/84/04/549628404.db2.gz YNFALIUHTHSIOZ-HNNXBMFYSA-N 2 2 304.340 3.324 20 0 DGADLP Oc1cccc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c12 ZINC000684579350 549664072 /nfs/dbraw/zinc/66/40/72/549664072.db2.gz IUKPUPZXPLRWTD-CYBMUJFWSA-N 2 2 306.369 3.026 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613792 549668963 /nfs/dbraw/zinc/66/89/63/549668963.db2.gz MIYUXIAVRYNRBP-ABAIWWIYSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613792 549668967 /nfs/dbraw/zinc/66/89/67/549668967.db2.gz MIYUXIAVRYNRBP-ABAIWWIYSA-N 2 2 301.261 3.466 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000684618840 549670034 /nfs/dbraw/zinc/67/00/34/549670034.db2.gz WDMLBRGBSHXCLD-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP c1[nH+]c2ccccn2c1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684768173 549690096 /nfs/dbraw/zinc/69/00/96/549690096.db2.gz NBSFIRJVPXJCES-QGZVFWFLSA-N 2 2 312.461 3.221 20 0 DGADLP c1[nH+]c2ccccn2c1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000684768173 549690099 /nfs/dbraw/zinc/69/00/99/549690099.db2.gz NBSFIRJVPXJCES-QGZVFWFLSA-N 2 2 312.461 3.221 20 0 DGADLP CC(C)C[C@@H](C)CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000685425601 549757621 /nfs/dbraw/zinc/75/76/21/549757621.db2.gz NMKZGQFLGYQTIO-NVXWUHKLSA-N 2 2 304.482 3.316 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000685428853 549757962 /nfs/dbraw/zinc/75/79/62/549757962.db2.gz LJYWCFNEPIUSNF-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000685428853 549757963 /nfs/dbraw/zinc/75/79/63/549757963.db2.gz LJYWCFNEPIUSNF-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)CCC[NH+](C)C ZINC000685452262 549762777 /nfs/dbraw/zinc/76/27/77/549762777.db2.gz IFRYEUWOPXTGND-UHFFFAOYSA-N 2 2 313.445 3.141 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000685452262 549762778 /nfs/dbraw/zinc/76/27/78/549762778.db2.gz IFRYEUWOPXTGND-UHFFFAOYSA-N 2 2 313.445 3.141 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1n[nH]c2ccccc21 ZINC000685462799 549765519 /nfs/dbraw/zinc/76/55/19/549765519.db2.gz HRSSQXWKXOMJSL-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1n[nH]c2ccccc21 ZINC000685462799 549765522 /nfs/dbraw/zinc/76/55/22/549765522.db2.gz HRSSQXWKXOMJSL-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(O)cc2)CC1 ZINC000685467564 549766899 /nfs/dbraw/zinc/76/68/99/549766899.db2.gz XUXSWKGZTPJTKZ-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(O)cc2)CC1 ZINC000685467564 549766901 /nfs/dbraw/zinc/76/69/01/549766901.db2.gz XUXSWKGZTPJTKZ-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000685573590 549776741 /nfs/dbraw/zinc/77/67/41/549776741.db2.gz WOMQBAZWJKAZRO-KSSFIOAISA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000685573590 549776742 /nfs/dbraw/zinc/77/67/42/549776742.db2.gz WOMQBAZWJKAZRO-KSSFIOAISA-N 2 2 313.445 3.292 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000685852331 549800247 /nfs/dbraw/zinc/80/02/47/549800247.db2.gz VWYXIGRTMGDQGR-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000685852331 549800249 /nfs/dbraw/zinc/80/02/49/549800249.db2.gz VWYXIGRTMGDQGR-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000732229157 574568864 /nfs/dbraw/zinc/56/88/64/574568864.db2.gz FDXZBRSDBSOWFT-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCc3ccccc3)c2)C1 ZINC000732229157 574568865 /nfs/dbraw/zinc/56/88/65/574568865.db2.gz FDXZBRSDBSOWFT-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453318 575453327 /nfs/dbraw/zinc/45/33/27/575453327.db2.gz GZUWLBJMHPXHDV-HOTGVXAUSA-N 2 2 320.481 3.064 20 0 DGADLP CCCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453318 575453328 /nfs/dbraw/zinc/45/33/28/575453328.db2.gz GZUWLBJMHPXHDV-HOTGVXAUSA-N 2 2 320.481 3.064 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746463194 575454070 /nfs/dbraw/zinc/45/40/70/575454070.db2.gz KBUIQJKHAGROLQ-AWEZNQCLSA-N 2 2 303.475 3.247 20 0 DGADLP CCOc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000748045965 575558246 /nfs/dbraw/zinc/55/82/46/575558246.db2.gz BBCCXDCNLCKVPL-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CCOc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000748045965 575558247 /nfs/dbraw/zinc/55/82/47/575558247.db2.gz BBCCXDCNLCKVPL-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000748048424 575558284 /nfs/dbraw/zinc/55/82/84/575558284.db2.gz MICAQZFMYLBNRR-GOEBONIOSA-N 2 2 303.475 3.247 20 0 DGADLP S=c1ncccn1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000917444913 620669311 /nfs/dbraw/zinc/66/93/11/620669311.db2.gz QIRXFFMMBSHDBK-UHFFFAOYSA-N 2 2 320.506 3.158 20 0 DGADLP FC(F)(F)Sc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000853247033 620681853 /nfs/dbraw/zinc/68/18/53/620681853.db2.gz ZRXJJUDJGYKCBS-UHFFFAOYSA-N 2 2 302.365 3.140 20 0 DGADLP c1cn(CCCC[NH2+]Cc2ccccc2N2CCCCC2)c[nH+]1 ZINC000918197069 620700557 /nfs/dbraw/zinc/70/05/57/620700557.db2.gz KEDZBIZOWSNNAJ-UHFFFAOYSA-N 2 2 312.461 3.443 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)c1cn2c(n1)CCCC2)[NH+]1CCCCC1 ZINC000926143615 617786075 /nfs/dbraw/zinc/78/60/75/617786075.db2.gz NQQMIXKRRYXVJP-HZPDHXFCSA-N 2 2 304.482 3.135 20 0 DGADLP Clc1cnn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000155067700 620761766 /nfs/dbraw/zinc/76/17/66/620761766.db2.gz UZZFJTODFRLAAW-UHFFFAOYSA-N 2 2 310.873 3.082 20 0 DGADLP Cc1ccccc1C[NH+]1CCC(Nc2nccn3c[nH+]cc23)CC1 ZINC000891890267 617921471 /nfs/dbraw/zinc/92/14/71/617921471.db2.gz RXPOEBSNJUONFW-UHFFFAOYSA-N 2 2 321.428 3.114 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000891920471 617926819 /nfs/dbraw/zinc/92/68/19/617926819.db2.gz CHLNJWVGTAFZKG-INIZCTEOSA-N 2 2 306.450 3.376 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000891920471 617926820 /nfs/dbraw/zinc/92/68/20/617926820.db2.gz CHLNJWVGTAFZKG-INIZCTEOSA-N 2 2 306.450 3.376 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892120700 617966359 /nfs/dbraw/zinc/96/63/59/617966359.db2.gz OCQWOGBYAOUURW-KRWDZBQOSA-N 2 2 306.498 3.245 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892120700 617966362 /nfs/dbraw/zinc/96/63/62/617966362.db2.gz OCQWOGBYAOUURW-KRWDZBQOSA-N 2 2 306.498 3.245 20 0 DGADLP c1cc2c(c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234837 617992017 /nfs/dbraw/zinc/99/20/17/617992017.db2.gz IZBGKRWIHWNWTI-APWZRJJASA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234837 617992019 /nfs/dbraw/zinc/99/20/19/617992019.db2.gz IZBGKRWIHWNWTI-APWZRJJASA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000892234837 617992024 /nfs/dbraw/zinc/99/20/24/617992024.db2.gz IZBGKRWIHWNWTI-APWZRJJASA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000892234837 617992028 /nfs/dbraw/zinc/99/20/28/617992028.db2.gz IZBGKRWIHWNWTI-APWZRJJASA-N 2 2 312.457 3.070 20 0 DGADLP OCC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926427405 618014516 /nfs/dbraw/zinc/01/45/16/618014516.db2.gz ZHPLRLDFVZEKCO-RCCFBDPRSA-N 2 2 322.880 3.370 20 0 DGADLP OCC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926427405 618014522 /nfs/dbraw/zinc/01/45/22/618014522.db2.gz ZHPLRLDFVZEKCO-RCCFBDPRSA-N 2 2 322.880 3.370 20 0 DGADLP C[NH+]1CCC(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000892359468 618041357 /nfs/dbraw/zinc/04/13/57/618041357.db2.gz NEPZMYNRRPAOBJ-UHFFFAOYSA-N 2 2 304.825 3.279 20 0 DGADLP C[C@H](NCC1([NH+](C)C)CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000924560101 618093785 /nfs/dbraw/zinc/09/37/85/618093785.db2.gz PJXYXTWFIOKPDW-HNNXBMFYSA-N 2 2 304.482 3.135 20 0 DGADLP CCc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924575786 618107213 /nfs/dbraw/zinc/10/72/13/618107213.db2.gz NMESSLSMSLXEQE-FQEVSTJZSA-N 2 2 309.457 3.417 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C)(O)CC1)Cc1ccccc1 ZINC000892554253 618107736 /nfs/dbraw/zinc/10/77/36/618107736.db2.gz CGIQXIJWRVHCQM-IOJLRTSASA-N 2 2 318.505 3.223 20 0 DGADLP C[C@@H]1C[C@@H](Nc2nccn3c[nH+]cc23)CC[N@@H+]1Cc1ccccc1 ZINC000892848066 618327658 /nfs/dbraw/zinc/32/76/58/618327658.db2.gz QUUWNVKDKICFPW-WBVHZDCISA-N 2 2 321.428 3.194 20 0 DGADLP C[C@@H]1C[C@@H](Nc2nccn3c[nH+]cc23)CC[N@H+]1Cc1ccccc1 ZINC000892848066 618327665 /nfs/dbraw/zinc/32/76/65/618327665.db2.gz QUUWNVKDKICFPW-WBVHZDCISA-N 2 2 321.428 3.194 20 0 DGADLP Clc1nccc2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)sc21 ZINC000894496115 618359583 /nfs/dbraw/zinc/35/95/83/618359583.db2.gz WSDAQUNFWLHZFA-LLVKDONJSA-N 2 2 318.833 3.251 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000925074641 618360276 /nfs/dbraw/zinc/36/02/76/618360276.db2.gz MTZLQZYSWTUIQE-NSHDSACASA-N 2 2 305.397 3.343 20 0 DGADLP Cc1ncoc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000894675823 618419691 /nfs/dbraw/zinc/41/96/91/618419691.db2.gz KSRRNKVSLLRUTD-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1ncoc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000894675823 618419694 /nfs/dbraw/zinc/41/96/94/618419694.db2.gz KSRRNKVSLLRUTD-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1ccccc1 ZINC000925616350 618509923 /nfs/dbraw/zinc/50/99/23/618509923.db2.gz RGZLWCOEBPRQIJ-LNCBFAARSA-N 2 2 304.459 3.238 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000893360420 618529882 /nfs/dbraw/zinc/52/98/82/618529882.db2.gz HKMBWAJYLCJRGU-UHFFFAOYSA-N 2 2 301.438 3.068 20 0 DGADLP CC[C@H]1C[C@H](CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110405 618539465 /nfs/dbraw/zinc/53/94/65/618539465.db2.gz KXXVTOXNNLSDLY-TVFCKZIOSA-N 2 2 317.477 3.363 20 0 DGADLP COc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895110998 618540094 /nfs/dbraw/zinc/54/00/94/618540094.db2.gz HDJCDMHTBBVARX-QAQDUYKDSA-N 2 2 311.429 3.367 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cc(F)ncc2F)c2cccc[nH+]2)CC1 ZINC000895113433 618540605 /nfs/dbraw/zinc/54/06/05/618540605.db2.gz WNPITXIFOCTQAO-HDJSIYSDSA-N 2 2 318.371 3.031 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cnn3ccccc23)c2cccc[nH+]2)CC1 ZINC000895111588 618540636 /nfs/dbraw/zinc/54/06/36/618540636.db2.gz QBXTXOVWKHBRKW-QAQDUYKDSA-N 2 2 321.428 3.006 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CC(CF)(CF)C2)CC1 ZINC000895112572 618541167 /nfs/dbraw/zinc/54/11/67/618541167.db2.gz BPRQDGKKRSVAHE-HDJSIYSDSA-N 2 2 309.404 3.246 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893487947 618570489 /nfs/dbraw/zinc/57/04/89/618570489.db2.gz OVBXJMDDVVYXND-GJZGRUSLSA-N 2 2 306.450 3.421 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893487947 618570493 /nfs/dbraw/zinc/57/04/93/618570493.db2.gz OVBXJMDDVVYXND-GJZGRUSLSA-N 2 2 306.450 3.421 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccccc1OCc1ccncc1)[NH+](C)C ZINC000895299177 618589821 /nfs/dbraw/zinc/58/98/21/618589821.db2.gz GLMPCDALFLYNSY-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1Cl ZINC000925778163 618616755 /nfs/dbraw/zinc/61/67/55/618616755.db2.gz IGTGADGDSVZGIH-VHSXEESVSA-N 2 2 306.759 3.375 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925793533 618621178 /nfs/dbraw/zinc/62/11/78/618621178.db2.gz DTOCORKYIGXCOY-DOTOQJQBSA-N 2 2 320.864 3.076 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795750 618621399 /nfs/dbraw/zinc/62/13/99/618621399.db2.gz PBQCHBUVIBTEQO-RDJZCZTQSA-N 2 2 320.864 3.076 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924903663 618734173 /nfs/dbraw/zinc/73/41/73/618734173.db2.gz KIAJPNWUWJRFIS-FQEVSTJZSA-N 2 2 323.484 3.309 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924903663 618734174 /nfs/dbraw/zinc/73/41/74/618734174.db2.gz KIAJPNWUWJRFIS-FQEVSTJZSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1csc2ccccc12 ZINC000924964176 618751686 /nfs/dbraw/zinc/75/16/86/618751686.db2.gz JMSKZBBEIICEEF-KKUMJFAQSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1csc2ccccc12 ZINC000924964176 618751688 /nfs/dbraw/zinc/75/16/88/618751688.db2.gz JMSKZBBEIICEEF-KKUMJFAQSA-N 2 2 316.470 3.415 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000924966248 618752538 /nfs/dbraw/zinc/75/25/38/618752538.db2.gz QQSIABBVVIBTBO-BPUTZDHNSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000924966248 618752540 /nfs/dbraw/zinc/75/25/40/618752540.db2.gz QQSIABBVVIBTBO-BPUTZDHNSA-N 2 2 314.429 3.255 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(C)cc(OC)c2OC)CC1 ZINC000895443348 618783970 /nfs/dbraw/zinc/78/39/70/618783970.db2.gz IGNUMUGHLDLMMG-UHFFFAOYSA-N 2 2 320.477 3.318 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(O)c2Cl)CCN1c1cc[nH+]cc1 ZINC000895557898 618798624 /nfs/dbraw/zinc/79/86/24/618798624.db2.gz SJJNBUSPJJXELW-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(O)c2Cl)CCN1c1cc[nH+]cc1 ZINC000895557898 618798628 /nfs/dbraw/zinc/79/86/28/618798628.db2.gz SJJNBUSPJJXELW-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000895564155 618799615 /nfs/dbraw/zinc/79/96/15/618799615.db2.gz ITQNFMOVZOVULH-CFVMTHIKSA-N 2 2 315.299 3.157 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000895564155 618799618 /nfs/dbraw/zinc/79/96/18/618799618.db2.gz ITQNFMOVZOVULH-CFVMTHIKSA-N 2 2 315.299 3.157 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1OC ZINC000895671981 618816280 /nfs/dbraw/zinc/81/62/80/618816280.db2.gz SBCYSYNMGDTRKL-UHFFFAOYSA-N 2 2 318.461 3.072 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000895827167 618834073 /nfs/dbraw/zinc/83/40/73/618834073.db2.gz GFKXPPTYYNLAHW-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP CC(C)c1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000897228281 619032388 /nfs/dbraw/zinc/03/23/88/619032388.db2.gz KWRAHZRRQLVOCT-HXUWFJFHSA-N 2 2 316.489 3.195 20 0 DGADLP CC(C)c1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000897228281 619032390 /nfs/dbraw/zinc/03/23/90/619032390.db2.gz KWRAHZRRQLVOCT-HXUWFJFHSA-N 2 2 316.489 3.195 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccnn1CC1CCC1 ZINC000925167328 619063714 /nfs/dbraw/zinc/06/37/14/619063714.db2.gz BSKBNHJUQIORRZ-ZBFHGGJFSA-N 2 2 313.449 3.108 20 0 DGADLP CC1(C)CC[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)OC1 ZINC000897476115 619133183 /nfs/dbraw/zinc/13/31/83/619133183.db2.gz KFRAFSWCSHBYEP-QGZVFWFLSA-N 2 2 317.477 3.235 20 0 DGADLP FC(F)Oc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897986114 619203351 /nfs/dbraw/zinc/20/33/51/619203351.db2.gz XPLVHFGWKJRDEA-UHFFFAOYSA-N 2 2 310.388 3.395 20 0 DGADLP FC1(F)CC[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000898017488 619205971 /nfs/dbraw/zinc/20/59/71/619205971.db2.gz NYUPFABAWBLAPY-CQSZACIVSA-N 2 2 309.404 3.466 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H](c3ccncc3)C3CC3)CC2)[nH+]c1 ZINC000898322006 619233186 /nfs/dbraw/zinc/23/31/86/619233186.db2.gz GIQVQVMRRSEQRS-LJQANCHMSA-N 2 2 308.429 3.186 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[NH+](C)C ZINC000926963487 619253375 /nfs/dbraw/zinc/25/33/75/619253375.db2.gz UNXLCRJRSZJHPU-OALUTQOASA-N 2 2 319.493 3.259 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000924729649 619268715 /nfs/dbraw/zinc/26/87/15/619268715.db2.gz NBOZRDNJBKVWGG-GOSISDBHSA-N 3 2 320.525 3.398 20 0 DGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(OC)n1 ZINC000924730444 619269009 /nfs/dbraw/zinc/26/90/09/619269009.db2.gz PVHSFKGWSVFYSC-HOCLYGCPSA-N 2 2 316.449 3.442 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415334 619632577 /nfs/dbraw/zinc/63/25/77/619632577.db2.gz DUXVDEXEQLYRAO-GFCCVEGCSA-N 2 2 301.459 3.184 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cnn(CC2CCC2)c1 ZINC000902506628 619644209 /nfs/dbraw/zinc/64/42/09/619644209.db2.gz YZPYYDXGRPXCPI-AGRHKRQWSA-N 2 2 310.445 3.479 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721326 619665909 /nfs/dbraw/zinc/66/59/09/619665909.db2.gz VPMOTMMYDLDGDK-LBPRGKRZSA-N 2 2 303.372 3.483 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000902745606 619669530 /nfs/dbraw/zinc/66/95/30/619669530.db2.gz RGQHTVDHWCGPKV-NSHDSACASA-N 2 2 324.412 3.386 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000902745606 619669532 /nfs/dbraw/zinc/66/95/32/619669532.db2.gz RGQHTVDHWCGPKV-NSHDSACASA-N 2 2 324.412 3.386 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)Cn1cc[nH+]c1 ZINC000902776300 619673963 /nfs/dbraw/zinc/67/39/63/619673963.db2.gz OVYKRGQYSJVYFF-KBAYOESNSA-N 2 2 305.466 3.094 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797767 619678069 /nfs/dbraw/zinc/67/80/69/619678069.db2.gz YTHWTNVCZWVFLV-NEPJUHHUSA-N 2 2 301.356 3.093 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797767 619678072 /nfs/dbraw/zinc/67/80/72/619678072.db2.gz YTHWTNVCZWVFLV-NEPJUHHUSA-N 2 2 301.356 3.093 20 0 DGADLP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)[nH+]c1 ZINC000902835297 619682149 /nfs/dbraw/zinc/68/21/49/619682149.db2.gz DDZNZUOLCXGIMM-QZTJIDSGSA-N 2 2 317.477 3.459 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000902843696 619683388 /nfs/dbraw/zinc/68/33/88/619683388.db2.gz XDKLCDRRGQKYFW-FZDIXFNVSA-N 2 2 311.429 3.481 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000902969066 619696013 /nfs/dbraw/zinc/69/60/13/619696013.db2.gz BIXUCGAXWHXPTD-YOEHRIQHSA-N 2 2 301.434 3.318 20 0 DGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000902960993 619698006 /nfs/dbraw/zinc/69/80/06/619698006.db2.gz HIDGDTXAVANERB-JSNMRZPZSA-N 2 2 319.408 3.181 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016772 619701854 /nfs/dbraw/zinc/70/18/54/619701854.db2.gz HKOWRAPVIOFOEB-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016772 619701858 /nfs/dbraw/zinc/70/18/58/619701858.db2.gz HKOWRAPVIOFOEB-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038546 619705496 /nfs/dbraw/zinc/70/54/96/619705496.db2.gz YFYHMRPTCBPRGN-UXLLHSPISA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063623 619709100 /nfs/dbraw/zinc/70/91/00/619709100.db2.gz GSYSJMIZQMSPKM-NVXWUHKLSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063625 619709140 /nfs/dbraw/zinc/70/91/40/619709140.db2.gz GSYSJMIZQMSPKM-WBVHZDCISA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070034 619715059 /nfs/dbraw/zinc/71/50/59/619715059.db2.gz OCMOIMVFPJIPGL-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070034 619715060 /nfs/dbraw/zinc/71/50/60/619715060.db2.gz OCMOIMVFPJIPGL-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000903128232 619722905 /nfs/dbraw/zinc/72/29/05/619722905.db2.gz UKBWOZIAFINVCC-GBESFXJTSA-N 2 2 313.445 3.398 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903139390 619724697 /nfs/dbraw/zinc/72/46/97/619724697.db2.gz IOUNPOCGTZFZEG-ZNXRZULTSA-N 2 2 312.461 3.252 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903139390 619724698 /nfs/dbraw/zinc/72/46/98/619724698.db2.gz IOUNPOCGTZFZEG-ZNXRZULTSA-N 2 2 312.461 3.252 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000903184636 619732000 /nfs/dbraw/zinc/73/20/00/619732000.db2.gz MJBWKTVNMRZTLU-UHFFFAOYSA-N 2 2 301.478 3.313 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccnc1 ZINC000903377934 619768339 /nfs/dbraw/zinc/76/83/39/619768339.db2.gz ODXYHFRMNVTEQR-ROUUACIJSA-N 2 2 317.477 3.156 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000903384691 619769431 /nfs/dbraw/zinc/76/94/31/619769431.db2.gz SQSAWLBSWBAYIU-JKSUJKDBSA-N 2 2 305.466 3.010 20 0 DGADLP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)Nc1cccc2ccccc21 ZINC000903467871 619779642 /nfs/dbraw/zinc/77/96/42/619779642.db2.gz FIXREQHDNLENNX-SFHVURJKSA-N 2 2 323.440 3.043 20 0 DGADLP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)Nc1cccc2ccccc21 ZINC000903467870 619779719 /nfs/dbraw/zinc/77/97/19/619779719.db2.gz FIXREQHDNLENNX-GOSISDBHSA-N 2 2 323.440 3.043 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903527384 619783587 /nfs/dbraw/zinc/78/35/87/619783587.db2.gz XPCGSLPIULLKME-FHWLQOOXSA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000903527384 619783588 /nfs/dbraw/zinc/78/35/88/619783588.db2.gz XPCGSLPIULLKME-FHWLQOOXSA-N 2 2 302.462 3.371 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)no1 ZINC000903813078 619818232 /nfs/dbraw/zinc/81/82/32/619818232.db2.gz YMYKZKXWCBESIW-HNNXBMFYSA-N 2 2 305.466 3.456 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)no1 ZINC000903813078 619818235 /nfs/dbraw/zinc/81/82/35/619818235.db2.gz YMYKZKXWCBESIW-HNNXBMFYSA-N 2 2 305.466 3.456 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000903847108 619823801 /nfs/dbraw/zinc/82/38/01/619823801.db2.gz SVOAPEYREAHPGI-XDTLVQLUSA-N 2 2 316.779 3.253 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000903847108 619823805 /nfs/dbraw/zinc/82/38/05/619823805.db2.gz SVOAPEYREAHPGI-XDTLVQLUSA-N 2 2 316.779 3.253 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000903888789 619826404 /nfs/dbraw/zinc/82/64/04/619826404.db2.gz LDHCJUCKTBHREX-AWEZNQCLSA-N 2 2 307.388 3.330 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000903899392 619830839 /nfs/dbraw/zinc/83/08/39/619830839.db2.gz UEXBQPSKQATOBB-OLZOCXBDSA-N 2 2 300.418 3.083 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000903899392 619830840 /nfs/dbraw/zinc/83/08/40/619830840.db2.gz UEXBQPSKQATOBB-OLZOCXBDSA-N 2 2 300.418 3.083 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000903954213 619846532 /nfs/dbraw/zinc/84/65/32/619846532.db2.gz ANJJYWYJNWSCGX-JTQLQIEISA-N 2 2 309.187 3.328 20 0 DGADLP [NH3+][C@@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)C1CCCCCC1 ZINC000904708550 619943726 /nfs/dbraw/zinc/94/37/26/619943726.db2.gz OMSGQASIAYHTRU-OAHLLOKOSA-N 2 2 311.389 3.355 20 0 DGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924807617 620103736 /nfs/dbraw/zinc/10/37/36/620103736.db2.gz NLRZFWGXQNLRAM-HKUYNNGSSA-N 2 2 313.445 3.293 20 0 DGADLP CSC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000151011759 620418578 /nfs/dbraw/zinc/41/85/78/620418578.db2.gz HINHXLVHUMFFLZ-AWEZNQCLSA-N 2 2 307.507 3.063 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000920957044 620829307 /nfs/dbraw/zinc/82/93/07/620829307.db2.gz ZRYSXJJDEQQJCA-GOSISDBHSA-N 2 2 301.478 3.251 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000920957044 620829310 /nfs/dbraw/zinc/82/93/10/620829310.db2.gz ZRYSXJJDEQQJCA-GOSISDBHSA-N 2 2 301.478 3.251 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(Oc2ccccn2)c1)Cn1cc[nH+]c1 ZINC000921609618 620913747 /nfs/dbraw/zinc/91/37/47/620913747.db2.gz PGWFGLBOTRLFBO-MRXNPFEDSA-N 2 2 322.412 3.496 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CCCC[NH+](C)C)cc2)[nH+]c1C ZINC000921661943 620929582 /nfs/dbraw/zinc/92/95/82/620929582.db2.gz KLRYTOKXZXOAKZ-UHFFFAOYSA-N 2 2 314.433 3.364 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921915613 620968139 /nfs/dbraw/zinc/96/81/39/620968139.db2.gz VQGRMAICQPVYCS-CYBMUJFWSA-N 2 2 324.900 3.398 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921915613 620968142 /nfs/dbraw/zinc/96/81/42/620968142.db2.gz VQGRMAICQPVYCS-CYBMUJFWSA-N 2 2 324.900 3.398 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858100033 621152630 /nfs/dbraw/zinc/15/26/30/621152630.db2.gz HFUVLAFMZNGFMY-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000838800752 621278341 /nfs/dbraw/zinc/27/83/41/621278341.db2.gz AEGGSCNPFBUBOZ-UHFFFAOYSA-N 2 2 308.429 3.324 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000753857500 621469205 /nfs/dbraw/zinc/46/92/05/621469205.db2.gz FHJOZHWVCXBUIR-KXBFYZLASA-N 2 2 302.462 3.090 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000753857500 621469207 /nfs/dbraw/zinc/46/92/07/621469207.db2.gz FHJOZHWVCXBUIR-KXBFYZLASA-N 2 2 302.462 3.090 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000754670836 621523693 /nfs/dbraw/zinc/52/36/93/621523693.db2.gz OVTMSLIOUZGXFK-NVXWUHKLSA-N 2 2 318.486 3.200 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000754670836 621523696 /nfs/dbraw/zinc/52/36/96/621523696.db2.gz OVTMSLIOUZGXFK-NVXWUHKLSA-N 2 2 318.486 3.200 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)c2)cc1 ZINC000755793267 621593826 /nfs/dbraw/zinc/59/38/26/621593826.db2.gz YXQRITMQRUDVKB-QGZVFWFLSA-N 2 2 321.428 3.039 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)c2)cc1 ZINC000755793267 621593827 /nfs/dbraw/zinc/59/38/27/621593827.db2.gz YXQRITMQRUDVKB-QGZVFWFLSA-N 2 2 321.428 3.039 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000863652410 621693885 /nfs/dbraw/zinc/69/38/85/621693885.db2.gz SOFMNFVTCZNBLM-MRXNPFEDSA-N 2 2 313.445 3.056 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000863652410 621693886 /nfs/dbraw/zinc/69/38/86/621693886.db2.gz SOFMNFVTCZNBLM-MRXNPFEDSA-N 2 2 313.445 3.056 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000863652902 621694319 /nfs/dbraw/zinc/69/43/19/621694319.db2.gz YPFPVSUICRYMFC-AWEZNQCLSA-N 2 2 300.402 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC000863652902 621694320 /nfs/dbraw/zinc/69/43/20/621694320.db2.gz YPFPVSUICRYMFC-AWEZNQCLSA-N 2 2 300.402 3.267 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000759765586 621888395 /nfs/dbraw/zinc/88/83/95/621888395.db2.gz CHLOHBZFEQZXPE-UHFFFAOYSA-N 2 2 319.453 3.038 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000759765586 621888398 /nfs/dbraw/zinc/88/83/98/621888398.db2.gz CHLOHBZFEQZXPE-UHFFFAOYSA-N 2 2 319.453 3.038 20 0 DGADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)c(F)c1 ZINC000759851762 621897288 /nfs/dbraw/zinc/89/72/88/621897288.db2.gz IAFFKTWDRWCTJS-HNNXBMFYSA-N 2 2 323.799 3.115 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865425740 621918142 /nfs/dbraw/zinc/91/81/42/621918142.db2.gz RZIFUDWDYJEMLO-ZDUSSCGKSA-N 2 2 310.804 3.275 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@@H+]1C ZINC000865474716 621929603 /nfs/dbraw/zinc/92/96/03/621929603.db2.gz BOJJZYXTMOLMTR-ZYHUDNBSSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000865474716 621929605 /nfs/dbraw/zinc/92/96/05/621929605.db2.gz BOJJZYXTMOLMTR-ZYHUDNBSSA-N 2 2 320.330 3.297 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cnc12 ZINC000865620539 621964058 /nfs/dbraw/zinc/96/40/58/621964058.db2.gz YVWLORPAVMEVCA-ZWKOTPCHSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cnc12 ZINC000865620539 621964059 /nfs/dbraw/zinc/96/40/59/621964059.db2.gz YVWLORPAVMEVCA-ZWKOTPCHSA-N 2 2 313.420 3.480 20 0 DGADLP CS[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000865733734 621985513 /nfs/dbraw/zinc/98/55/13/621985513.db2.gz SOHUIOMSRPDGFN-RZDIXWSQSA-N 2 2 319.518 3.205 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838282 622005092 /nfs/dbraw/zinc/00/50/92/622005092.db2.gz SNUDHQZMGFUTCV-WMZOPIPTSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838282 622005096 /nfs/dbraw/zinc/00/50/96/622005096.db2.gz SNUDHQZMGFUTCV-WMZOPIPTSA-N 2 2 324.472 3.268 20 0 DGADLP CC1(C)CC([NH2+]Cc2c(Cl)nc3ccccn32)CC(C)(C)[NH2+]1 ZINC000120912811 622047250 /nfs/dbraw/zinc/04/72/50/622047250.db2.gz QVAAFQUCVHMDBP-UHFFFAOYSA-N 2 2 320.868 3.387 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866206248 622066395 /nfs/dbraw/zinc/06/63/95/622066395.db2.gz CSZIOVZAVMVIBZ-HOCLYGCPSA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866206248 622066397 /nfs/dbraw/zinc/06/63/97/622066397.db2.gz CSZIOVZAVMVIBZ-HOCLYGCPSA-N 2 2 311.429 3.082 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476638 622078092 /nfs/dbraw/zinc/07/80/92/622078092.db2.gz OPNLVSCZKTXRGK-LPHOPBHVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476638 622078094 /nfs/dbraw/zinc/07/80/94/622078094.db2.gz OPNLVSCZKTXRGK-LPHOPBHVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866360666 622102298 /nfs/dbraw/zinc/10/22/98/622102298.db2.gz FZAARDVJERNMDU-ZJUUUORDSA-N 2 2 316.792 3.412 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000866479678 622124852 /nfs/dbraw/zinc/12/48/52/622124852.db2.gz XNECFPFBFIPWID-NXHRZFHOSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000866479678 622124854 /nfs/dbraw/zinc/12/48/54/622124854.db2.gz XNECFPFBFIPWID-NXHRZFHOSA-N 2 2 319.518 3.167 20 0 DGADLP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561813 622138242 /nfs/dbraw/zinc/13/82/42/622138242.db2.gz LPHWXKZQFDCXSX-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561813 622138244 /nfs/dbraw/zinc/13/82/44/622138244.db2.gz LPHWXKZQFDCXSX-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cnn1-c1ccccc1 ZINC000764746108 622217193 /nfs/dbraw/zinc/21/71/93/622217193.db2.gz YJCMOTTZHOYGHQ-HNNXBMFYSA-N 2 2 324.472 3.458 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000764948217 622235233 /nfs/dbraw/zinc/23/52/33/622235233.db2.gz GXUIVVSMBJSDML-IRXDYDNUSA-N 2 2 304.478 3.480 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000764948217 622235235 /nfs/dbraw/zinc/23/52/35/622235235.db2.gz GXUIVVSMBJSDML-IRXDYDNUSA-N 2 2 304.478 3.480 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000765040562 622241589 /nfs/dbraw/zinc/24/15/89/622241589.db2.gz XRWXRWGEJVECCV-PMACEKPBSA-N 3 2 319.537 3.248 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000765040562 622241594 /nfs/dbraw/zinc/24/15/94/622241594.db2.gz XRWXRWGEJVECCV-PMACEKPBSA-N 3 2 319.537 3.248 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000765814560 622289193 /nfs/dbraw/zinc/28/91/93/622289193.db2.gz DWZLXFXBNUOXES-IXDOHACOSA-N 2 2 302.466 3.058 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000765814560 622289198 /nfs/dbraw/zinc/28/91/98/622289198.db2.gz DWZLXFXBNUOXES-IXDOHACOSA-N 2 2 302.466 3.058 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3cc(C)ccc32)CC1 ZINC000765861108 622291876 /nfs/dbraw/zinc/29/18/76/622291876.db2.gz QNERONSRPDTOMR-LJQANCHMSA-N 2 2 316.489 3.461 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1F ZINC000765976849 622298056 /nfs/dbraw/zinc/29/80/56/622298056.db2.gz OIIYWLPXPGJLBF-GOEBONIOSA-N 2 2 306.425 3.120 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH]n1 ZINC000766001517 622299447 /nfs/dbraw/zinc/29/94/47/622299447.db2.gz IPFORRYPEOFHFQ-YJBOKZPZSA-N 2 2 312.461 3.115 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH]n1 ZINC000766001517 622299449 /nfs/dbraw/zinc/29/94/49/622299449.db2.gz IPFORRYPEOFHFQ-YJBOKZPZSA-N 2 2 312.461 3.115 20 0 DGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCO2 ZINC000766438603 622330337 /nfs/dbraw/zinc/33/03/37/622330337.db2.gz OJELWVMWZDXJQJ-AEFFLSMTSA-N 2 2 320.502 3.100 20 0 DGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102293 622438325 /nfs/dbraw/zinc/43/83/25/622438325.db2.gz MQOFDFXGYCAHCS-YJBOKZPZSA-N 2 2 302.462 3.394 20 0 DGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102293 622438327 /nfs/dbraw/zinc/43/83/27/622438327.db2.gz MQOFDFXGYCAHCS-YJBOKZPZSA-N 2 2 302.462 3.394 20 0 DGADLP C[C@H](CC(=O)OC[C@@H]1CC[N@@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731940 622504175 /nfs/dbraw/zinc/50/41/75/622504175.db2.gz CVSUUNWSLUTASE-WBVHZDCISA-N 2 2 319.449 3.175 20 0 DGADLP C[C@H](CC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731940 622504176 /nfs/dbraw/zinc/50/41/76/622504176.db2.gz CVSUUNWSLUTASE-WBVHZDCISA-N 2 2 319.449 3.175 20 0 DGADLP COc1cccc2cc(C[NH+]3CCC([NH2+]C(C)C)CC3)oc21 ZINC000769230709 622508845 /nfs/dbraw/zinc/50/88/45/622508845.db2.gz AHAVCCPZFDXIAU-UHFFFAOYSA-N 2 2 302.418 3.404 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1F ZINC000769491471 622533342 /nfs/dbraw/zinc/53/33/42/622533342.db2.gz OLEDAPPDCQZYDO-JKSUJKDBSA-N 2 2 322.468 3.477 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769968101 622583534 /nfs/dbraw/zinc/58/35/34/622583534.db2.gz LYKJACXHHXEMRK-ZFWWWQNUSA-N 2 2 324.490 3.051 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2ccc3c([nH+]2)CCCC3)s1 ZINC000871864444 622721941 /nfs/dbraw/zinc/72/19/41/622721941.db2.gz FEOLVGFWBJUBIY-UHFFFAOYSA-N 2 2 302.447 3.091 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000872019782 622755560 /nfs/dbraw/zinc/75/55/60/622755560.db2.gz ABJLVUYZTKBTDI-RBUKOAKNSA-N 2 2 313.445 3.226 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC000872031864 622763215 /nfs/dbraw/zinc/76/32/15/622763215.db2.gz NIBFLYPSROMKBQ-HOTGVXAUSA-N 2 2 305.466 3.457 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000872132228 622824729 /nfs/dbraw/zinc/82/47/29/622824729.db2.gz CZQUMPLAFUXYAV-UWWQBHOKSA-N 2 2 316.493 3.479 20 0 DGADLP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2C1 ZINC000872143336 622832021 /nfs/dbraw/zinc/83/20/21/622832021.db2.gz OUMMYEIQOGWUSC-YOEHRIQHSA-N 2 2 317.477 3.154 20 0 DGADLP CC1(C)CCc2onc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2C1 ZINC000872143336 622832029 /nfs/dbraw/zinc/83/20/29/622832029.db2.gz OUMMYEIQOGWUSC-YOEHRIQHSA-N 2 2 317.477 3.154 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2nccnc2c1 ZINC000873023040 623019669 /nfs/dbraw/zinc/01/96/69/623019669.db2.gz WFFXVTJLOKXCBD-QGZVFWFLSA-N 2 2 309.417 3.031 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@@]34CCC[C@@H]3[NH2+]CC4)c2)nc1 ZINC000873230238 623083666 /nfs/dbraw/zinc/08/36/66/623083666.db2.gz NXPXBFQDOBSQEO-VQTJNVASSA-N 2 2 323.440 3.035 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000873273810 623101058 /nfs/dbraw/zinc/10/10/58/623101058.db2.gz MVVUZVMKCNRIPG-SJWGOKEGSA-N 2 2 308.853 3.290 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000774132553 623110686 /nfs/dbraw/zinc/11/06/86/623110686.db2.gz BOTXHKSEDJXUTN-IUODEOHRSA-N 2 2 319.405 3.028 20 0 DGADLP Cc1cc(Br)cc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000774942156 623210219 /nfs/dbraw/zinc/21/02/19/623210219.db2.gz IGJBFXFAKHADRN-UHFFFAOYSA-N 2 2 308.223 3.134 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)CCCOC)cc2)CC1 ZINC000776804816 623465609 /nfs/dbraw/zinc/46/56/09/623465609.db2.gz GXTFTJTUZNEZIE-MRXNPFEDSA-N 2 2 305.466 3.056 20 0 DGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCOC1 ZINC000776807173 623465778 /nfs/dbraw/zinc/46/57/78/623465778.db2.gz VKMIPDJASDBNHR-APWZRJJASA-N 2 2 317.477 3.056 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000125527489 623479368 /nfs/dbraw/zinc/47/93/68/623479368.db2.gz PCFOTLCLLWWHFL-HNNXBMFYSA-N 2 2 324.900 3.471 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000125527489 623479371 /nfs/dbraw/zinc/47/93/71/623479371.db2.gz PCFOTLCLLWWHFL-HNNXBMFYSA-N 2 2 324.900 3.471 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]([NH3+])CCC(C)C)c2)[nH+]c1C ZINC000876736766 623692047 /nfs/dbraw/zinc/69/20/47/623692047.db2.gz MTMGVBDYNJJASG-MRXNPFEDSA-N 2 2 314.433 3.396 20 0 DGADLP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000876932667 623747625 /nfs/dbraw/zinc/74/76/25/623747625.db2.gz SMYGQGBIQLSOHH-FOIQADDNSA-N 2 2 304.415 3.031 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000877066259 623781461 /nfs/dbraw/zinc/78/14/61/623781461.db2.gz HVULEJDGQFNNQW-SZMVWBNQSA-N 2 2 315.461 3.355 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000877067232 623782476 /nfs/dbraw/zinc/78/24/76/623782476.db2.gz ZTUMSGHINPOLIN-KGLIPLIRSA-N 2 2 324.255 3.487 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Cl)cc1O ZINC000877073838 623784507 /nfs/dbraw/zinc/78/45/07/623784507.db2.gz TWMFWQMHIQKTNB-CHWSQXEVSA-N 2 2 312.841 3.017 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(Cl)nn1)[N@H+](C)Cc1ccccc1 ZINC000877080275 623786745 /nfs/dbraw/zinc/78/67/45/623786745.db2.gz PFGFUCNFIKZUNV-CQSZACIVSA-N 2 2 318.852 3.130 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(Cl)nn1)[N@@H+](C)Cc1ccccc1 ZINC000877080275 623786750 /nfs/dbraw/zinc/78/67/50/623786750.db2.gz PFGFUCNFIKZUNV-CQSZACIVSA-N 2 2 318.852 3.130 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000877619411 623965194 /nfs/dbraw/zinc/96/51/94/623965194.db2.gz YIUKJHCHHXWSLJ-OSAWLIQMSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000877619411 623965197 /nfs/dbraw/zinc/96/51/97/623965197.db2.gz YIUKJHCHHXWSLJ-OSAWLIQMSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000877631114 623970556 /nfs/dbraw/zinc/97/05/56/623970556.db2.gz FGZAZCZHFVPPCI-XFQAVAEZSA-N 2 2 318.442 3.419 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)n1-c1ccccc1 ZINC000877737117 624010540 /nfs/dbraw/zinc/01/05/40/624010540.db2.gz CSMUXRPGALGBJX-JKSUJKDBSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)n1-c1ccccc1 ZINC000877737117 624010543 /nfs/dbraw/zinc/01/05/43/624010543.db2.gz CSMUXRPGALGBJX-JKSUJKDBSA-N 2 2 313.470 3.366 20 0 DGADLP CC1(C)CC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)OC1 ZINC000878320846 624244585 /nfs/dbraw/zinc/24/45/85/624244585.db2.gz KHVBVNTZWZRLDS-INIZCTEOSA-N 2 2 303.450 3.163 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345345 624250657 /nfs/dbraw/zinc/25/06/57/624250657.db2.gz QOWSNCQPZDUZFF-CRAIPNDOSA-N 2 2 311.429 3.482 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)c[nH+]1 ZINC000878402499 624267886 /nfs/dbraw/zinc/26/78/86/624267886.db2.gz KRFFCRIFRCZBMC-FHWLQOOXSA-N 2 2 317.477 3.333 20 0 DGADLP c1cn(CCCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)c[nH+]1 ZINC000782755915 624280271 /nfs/dbraw/zinc/28/02/71/624280271.db2.gz BVDFFKDZHHFZJV-IBGZPJMESA-N 2 2 313.445 3.421 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761155 624280964 /nfs/dbraw/zinc/28/09/64/624280964.db2.gz OYFAISLXUXRWLW-UXHICEINSA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761155 624280965 /nfs/dbraw/zinc/28/09/65/624280965.db2.gz OYFAISLXUXRWLW-UXHICEINSA-N 2 2 314.473 3.228 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878522988 624297536 /nfs/dbraw/zinc/29/75/36/624297536.db2.gz UZTQSTGFGMCVFC-QGZVFWFLSA-N 2 2 318.461 3.438 20 0 DGADLP C[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000783241217 624329210 /nfs/dbraw/zinc/32/92/10/624329210.db2.gz RVDYYGKRRNLMOS-QAPCUYQASA-N 2 2 321.896 3.240 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566856 624592852 /nfs/dbraw/zinc/59/28/52/624592852.db2.gz ZNCXQDCTQMKJTP-IRXDYDNUSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566856 624592857 /nfs/dbraw/zinc/59/28/57/624592857.db2.gz ZNCXQDCTQMKJTP-IRXDYDNUSA-N 2 2 313.470 3.366 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1C ZINC000879569015 624593683 /nfs/dbraw/zinc/59/36/83/624593683.db2.gz HNBNBHIXICPGLH-HKUYNNGSSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000879569015 624593687 /nfs/dbraw/zinc/59/36/87/624593687.db2.gz HNBNBHIXICPGLH-HKUYNNGSSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1C ZINC000879569015 624593691 /nfs/dbraw/zinc/59/36/91/624593691.db2.gz HNBNBHIXICPGLH-HKUYNNGSSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1C ZINC000879569015 624593697 /nfs/dbraw/zinc/59/36/97/624593697.db2.gz HNBNBHIXICPGLH-HKUYNNGSSA-N 2 2 314.473 3.340 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579445 624597334 /nfs/dbraw/zinc/59/73/34/624597334.db2.gz LOIJLWZJROTULF-IRXDYDNUSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579445 624597342 /nfs/dbraw/zinc/59/73/42/624597342.db2.gz LOIJLWZJROTULF-IRXDYDNUSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579445 624597344 /nfs/dbraw/zinc/59/73/44/624597344.db2.gz LOIJLWZJROTULF-IRXDYDNUSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579445 624597350 /nfs/dbraw/zinc/59/73/50/624597350.db2.gz LOIJLWZJROTULF-IRXDYDNUSA-N 2 2 311.429 3.176 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132069 624799538 /nfs/dbraw/zinc/79/95/38/624799538.db2.gz NDHRSWNKQIZTKA-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132069 624799542 /nfs/dbraw/zinc/79/95/42/624799542.db2.gz NDHRSWNKQIZTKA-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132069 624799548 /nfs/dbraw/zinc/79/95/48/624799548.db2.gz NDHRSWNKQIZTKA-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132069 624799554 /nfs/dbraw/zinc/79/95/54/624799554.db2.gz NDHRSWNKQIZTKA-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP CCc1ccc(CC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207956 624842703 /nfs/dbraw/zinc/84/27/03/624842703.db2.gz DCVGOQYVKTVWJB-FQEVSTJZSA-N 2 2 316.489 3.025 20 0 DGADLP CCc1ccc(CC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207956 624842711 /nfs/dbraw/zinc/84/27/11/624842711.db2.gz DCVGOQYVKTVWJB-FQEVSTJZSA-N 2 2 316.489 3.025 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000880255735 624873379 /nfs/dbraw/zinc/87/33/79/624873379.db2.gz WYHKZFRROSERLN-CQSZACIVSA-N 2 2 322.415 3.030 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000880474191 624964706 /nfs/dbraw/zinc/96/47/06/624964706.db2.gz FVKQCTRWPRMIJO-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(C(C)(C)C)o1 ZINC000880517352 624971070 /nfs/dbraw/zinc/97/10/70/624971070.db2.gz NXXISHQGFFUHAE-UHFFFAOYSA-N 2 2 308.470 3.065 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(C(C)(C)C)o1 ZINC000880517352 624971072 /nfs/dbraw/zinc/97/10/72/624971072.db2.gz NXXISHQGFFUHAE-UHFFFAOYSA-N 2 2 308.470 3.065 20 0 DGADLP c1cn(C[C@H]([NH2+]CCOCC2CCCC2)c2ccccc2)c[nH+]1 ZINC000880570290 624980135 /nfs/dbraw/zinc/98/01/35/624980135.db2.gz VUWAPYRLCJGODR-IBGZPJMESA-N 2 2 313.445 3.421 20 0 DGADLP c1cnn(CCCCC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880571946 624980150 /nfs/dbraw/zinc/98/01/50/624980150.db2.gz WOYWBBKWMFEKQU-LJQANCHMSA-N 2 2 323.444 3.281 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788507124 625201216 /nfs/dbraw/zinc/20/12/16/625201216.db2.gz YBTRDDLIUFBJHV-OAHLLOKOSA-N 2 2 307.869 3.434 20 0 DGADLP Clc1ccc2c(n1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000788626111 625231602 /nfs/dbraw/zinc/23/16/02/625231602.db2.gz KBGWLLIYSDOZNR-CYBMUJFWSA-N 2 2 302.809 3.209 20 0 DGADLP CC(C)(C[NH2+]Cc1c(Cl)nc2ccccn21)C[NH+]1CCCC1 ZINC000791011696 625737208 /nfs/dbraw/zinc/73/72/08/625737208.db2.gz XZELRLINJWKZDG-UHFFFAOYSA-N 2 2 320.868 3.199 20 0 DGADLP C[C@@H]1CN(c2[nH+]ccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000882820151 625827447 /nfs/dbraw/zinc/82/74/47/625827447.db2.gz HDIREIPUSDHJRY-OAHLLOKOSA-N 2 2 304.397 3.345 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1N ZINC000882910535 625855853 /nfs/dbraw/zinc/85/58/53/625855853.db2.gz UXSYETSNJDTFMH-CQSZACIVSA-N 2 2 306.841 3.323 20 0 DGADLP c1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186355 625960013 /nfs/dbraw/zinc/96/00/13/625960013.db2.gz QEWFUFRSDIZQBK-LJQANCHMSA-N 2 2 314.473 3.256 20 0 DGADLP c1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c2c(c1)COCC2 ZINC000883186355 625960020 /nfs/dbraw/zinc/96/00/20/625960020.db2.gz QEWFUFRSDIZQBK-LJQANCHMSA-N 2 2 314.473 3.256 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000796486033 626055887 /nfs/dbraw/zinc/05/58/87/626055887.db2.gz PHTWYVQQLWJZJD-OXJNMPFZSA-N 2 2 321.424 3.392 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800487538 626363959 /nfs/dbraw/zinc/36/39/59/626363959.db2.gz GZMZBZPNLQDDOG-VQIMIIECSA-N 2 2 317.477 3.056 20 0 DGADLP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+]C[C@@H]1CCSC1 ZINC000883345179 626655537 /nfs/dbraw/zinc/65/55/37/626655537.db2.gz UNTDPLICDNCHNL-MAUKXSAKSA-N 2 2 317.502 3.136 20 0 DGADLP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+]C[C@@H]1CCSC1 ZINC000883345179 626655541 /nfs/dbraw/zinc/65/55/41/626655541.db2.gz UNTDPLICDNCHNL-MAUKXSAKSA-N 2 2 317.502 3.136 20 0 DGADLP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883381661 626667670 /nfs/dbraw/zinc/66/76/70/626667670.db2.gz QWWOGYFDGIKKOX-MOPGFXCFSA-N 2 2 322.387 3.383 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883387185 626668676 /nfs/dbraw/zinc/66/86/76/626668676.db2.gz SRKUJYWOIXLIKY-BEFAXECRSA-N 2 2 321.428 3.382 20 0 DGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883387320 626668904 /nfs/dbraw/zinc/66/89/04/626668904.db2.gz VRIGBMCOMWEIKV-OALUTQOASA-N 2 2 313.445 3.419 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387827 626669400 /nfs/dbraw/zinc/66/94/00/626669400.db2.gz FYYRNDSNNQDVJY-IPMKNSEASA-N 2 2 313.445 3.419 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C1(C[NH3+])CCCCC1 ZINC000883455247 626685781 /nfs/dbraw/zinc/68/57/81/626685781.db2.gz YKZVAYIEYKLECS-UHFFFAOYSA-N 2 2 301.356 3.194 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1(C[NH3+])CCCCC1 ZINC000883455247 626685785 /nfs/dbraw/zinc/68/57/85/626685785.db2.gz YKZVAYIEYKLECS-UHFFFAOYSA-N 2 2 301.356 3.194 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCC3(F)F)CC2)cc1 ZINC000806180766 626704777 /nfs/dbraw/zinc/70/47/77/626704777.db2.gz RYMLCXSWCSHYKH-QGZVFWFLSA-N 2 2 323.431 3.499 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000809994917 626966275 /nfs/dbraw/zinc/96/62/75/626966275.db2.gz IJPGBISRHCIEHS-GFCCVEGCSA-N 2 2 315.244 3.427 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccccc1 ZINC000810253199 626993441 /nfs/dbraw/zinc/99/34/41/626993441.db2.gz NZNBSIJNJYFTCF-UKRRQHHQSA-N 2 2 321.428 3.112 20 0 DGADLP Cc1n[nH]c(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000886005980 627081642 /nfs/dbraw/zinc/08/16/42/627081642.db2.gz LXAGQLTXJLCXPI-CQSZACIVSA-N 2 2 300.450 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000886005980 627081645 /nfs/dbraw/zinc/08/16/45/627081645.db2.gz LXAGQLTXJLCXPI-CQSZACIVSA-N 2 2 300.450 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000886011393 627083262 /nfs/dbraw/zinc/08/32/62/627083262.db2.gz ZZDFNGXUFFHHLX-KDOFPFPSSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000886011393 627083265 /nfs/dbraw/zinc/08/32/65/627083265.db2.gz ZZDFNGXUFFHHLX-KDOFPFPSSA-N 2 2 312.461 3.027 20 0 DGADLP c1ccc(NCCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)[nH+]c1 ZINC000886012798 627083439 /nfs/dbraw/zinc/08/34/39/627083439.db2.gz OUWZXFZZUYRFJI-MRXNPFEDSA-N 2 2 303.450 3.355 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@@H]3CCC4(CCC4)CO3)CC2)[nH+]c1 ZINC000886094401 627101793 /nfs/dbraw/zinc/10/17/93/627101793.db2.gz QUHGUIAQHGFDCV-KRWDZBQOSA-N 2 2 315.461 3.307 20 0 DGADLP c1cn(-c2csc(C[NH2+]Cc3cc(C4CC4)no3)c2)c[nH+]1 ZINC000886270598 627128925 /nfs/dbraw/zinc/12/89/25/627128925.db2.gz HZGLOHQFGCGPFO-UHFFFAOYSA-N 2 2 300.387 3.089 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000886315557 627135833 /nfs/dbraw/zinc/13/58/33/627135833.db2.gz RXPXDQSKKCKLLR-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000886315557 627135835 /nfs/dbraw/zinc/13/58/35/627135835.db2.gz RXPXDQSKKCKLLR-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000886315557 627135838 /nfs/dbraw/zinc/13/58/38/627135838.db2.gz RXPXDQSKKCKLLR-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000886315557 627135842 /nfs/dbraw/zinc/13/58/42/627135842.db2.gz RXPXDQSKKCKLLR-UHOSZYNNSA-N 2 2 302.462 3.008 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4cccnc43)CC2)cc1 ZINC000886502616 627153901 /nfs/dbraw/zinc/15/39/01/627153901.db2.gz HKWVVTMXRSHHJE-FQEVSTJZSA-N 2 2 321.468 3.366 20 0 DGADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000886594269 627169353 /nfs/dbraw/zinc/16/93/53/627169353.db2.gz JAAHIBLNOYSKKT-GUYCJALGSA-N 2 2 324.403 3.486 20 0 DGADLP c1ccc2sc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC000886872470 627211676 /nfs/dbraw/zinc/21/16/76/627211676.db2.gz SWPSDUNXFYQBQI-QGZVFWFLSA-N 2 2 301.459 3.262 20 0 DGADLP c1ccc2sc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC000886872470 627211677 /nfs/dbraw/zinc/21/16/77/627211677.db2.gz SWPSDUNXFYQBQI-QGZVFWFLSA-N 2 2 301.459 3.262 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868004 627211782 /nfs/dbraw/zinc/21/17/82/627211782.db2.gz TVKGQIITJIHWEV-IBGZPJMESA-N 2 2 311.429 3.307 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868004 627211783 /nfs/dbraw/zinc/21/17/83/627211783.db2.gz TVKGQIITJIHWEV-IBGZPJMESA-N 2 2 311.429 3.307 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870000 627211793 /nfs/dbraw/zinc/21/17/93/627211793.db2.gz NAQPAGJBHBFDFL-QGZVFWFLSA-N 2 2 310.388 3.254 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870000 627211794 /nfs/dbraw/zinc/21/17/94/627211794.db2.gz NAQPAGJBHBFDFL-QGZVFWFLSA-N 2 2 310.388 3.254 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000811455497 627276017 /nfs/dbraw/zinc/27/60/17/627276017.db2.gz JCLWOCVCVOGDRV-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP C[NH+]1CCN(c2ccc([NH2+]CC3Cc4ccccc4C3)cc2)CC1 ZINC000811470220 627278369 /nfs/dbraw/zinc/27/83/69/627278369.db2.gz VVNIEWFFQSDBAR-UHFFFAOYSA-N 2 2 321.468 3.265 20 0 DGADLP Cn1ccnc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813790715 627512331 /nfs/dbraw/zinc/51/23/31/627512331.db2.gz UZQJDGKWQSVAGV-YQQQUEKLSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1ccnc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790715 627512333 /nfs/dbraw/zinc/51/23/33/627512333.db2.gz UZQJDGKWQSVAGV-YQQQUEKLSA-N 2 2 324.472 3.095 20 0 DGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924586438 627653075 /nfs/dbraw/zinc/65/30/75/627653075.db2.gz JZPNYQPLRVYIMI-CQSZACIVSA-N 2 2 314.433 3.215 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)[nH+]c2n1CCCC2 ZINC000924646389 627662165 /nfs/dbraw/zinc/66/21/65/627662165.db2.gz TVQTTXBKYYQXJY-VQIMIIECSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924660412 627664066 /nfs/dbraw/zinc/66/40/66/627664066.db2.gz YLAKVRNSJJXVCY-CYBMUJFWSA-N 2 2 302.422 3.069 20 0 DGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000924660412 627664069 /nfs/dbraw/zinc/66/40/69/627664069.db2.gz YLAKVRNSJJXVCY-CYBMUJFWSA-N 2 2 302.422 3.069 20 0 DGADLP Clc1ccnc2c1CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924710897 627671248 /nfs/dbraw/zinc/67/12/48/627671248.db2.gz CNIDVTYAXUXMGG-INIZCTEOSA-N 2 2 305.853 3.186 20 0 DGADLP Clc1ccnc2c1CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924710901 627671320 /nfs/dbraw/zinc/67/13/20/627671320.db2.gz CNIDVTYAXUXMGG-MRXNPFEDSA-N 2 2 305.853 3.186 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924885040 627690331 /nfs/dbraw/zinc/69/03/31/627690331.db2.gz BLNCMSSHHFNTOI-HOCLYGCPSA-N 2 2 312.461 3.111 20 0 DGADLP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889632 627690528 /nfs/dbraw/zinc/69/05/28/627690528.db2.gz PDZXBRLZZOCZEY-SPYBWZPUSA-N 2 2 321.509 3.415 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1[C@@H](C)COC[C@@H]1C)c1ccccc1 ZINC000925058058 627704850 /nfs/dbraw/zinc/70/48/50/627704850.db2.gz PYDFDYFCZADSFP-JYJNAYRXSA-N 2 2 304.478 3.376 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925177680 627715569 /nfs/dbraw/zinc/71/55/69/627715569.db2.gz DGXAWDYGQQSAHC-WMLDXEAASA-N 2 2 322.412 3.155 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000925230588 627721242 /nfs/dbraw/zinc/72/12/42/627721242.db2.gz YLXRTDMQIKMFRB-GUMHCPJTSA-N 3 2 319.537 3.390 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000925230588 627721244 /nfs/dbraw/zinc/72/12/44/627721244.db2.gz YLXRTDMQIKMFRB-GUMHCPJTSA-N 3 2 319.537 3.390 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000925235344 627722036 /nfs/dbraw/zinc/72/20/36/627722036.db2.gz SSKAUBAYBMCWFP-IPMKNSEASA-N 2 2 301.478 3.428 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccnc1 ZINC000925235344 627722038 /nfs/dbraw/zinc/72/20/38/627722038.db2.gz SSKAUBAYBMCWFP-IPMKNSEASA-N 2 2 301.478 3.428 20 0 DGADLP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925496395 627742363 /nfs/dbraw/zinc/74/23/63/627742363.db2.gz YQWDWVKNUQLZGG-PKOBYXMFSA-N 3 2 315.505 3.147 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925508033 627744268 /nfs/dbraw/zinc/74/42/68/627744268.db2.gz CVDIURYMQDTSNN-VQTJNVASSA-N 2 2 324.472 3.130 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925508034 627744443 /nfs/dbraw/zinc/74/44/43/627744443.db2.gz CVDIURYMQDTSNN-WOJBJXKFSA-N 2 2 324.472 3.130 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1ccccc1 ZINC000925521448 627746289 /nfs/dbraw/zinc/74/62/89/627746289.db2.gz CKDGSHQIEIJJRK-LBTNJELSSA-N 2 2 302.393 3.271 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@H](c3ccccc3)[C@@H](C)[NH3+])nc21 ZINC000925525950 627747600 /nfs/dbraw/zinc/74/76/00/627747600.db2.gz GQUOYDNABCCAPB-KUHUBIRLSA-N 2 2 309.413 3.357 20 0 DGADLP CN(C)c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c2ccccc2n1 ZINC000925527021 627747895 /nfs/dbraw/zinc/74/78/95/627747895.db2.gz LVAQMCYBRZVSDA-SFHVURJKSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000925548480 627752033 /nfs/dbraw/zinc/75/20/33/627752033.db2.gz CFRVSLJJDHTKDL-OXJNMPFZSA-N 2 2 320.440 3.093 20 0 DGADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000925556995 627753875 /nfs/dbraw/zinc/75/38/75/627753875.db2.gz NTPDPLHONSPRJY-LJQANCHMSA-N 2 2 324.472 3.253 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000925561964 627754781 /nfs/dbraw/zinc/75/47/81/627754781.db2.gz ULDTVHGFCWCENY-KDOFPFPSSA-N 2 2 318.461 3.419 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C12CCC2 ZINC000925564911 627755245 /nfs/dbraw/zinc/75/52/45/627755245.db2.gz MUZMQSWDJCEVDR-STQMWFEESA-N 2 2 307.850 3.309 20 0 DGADLP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccc2ccccc2c1 ZINC000925569199 627756264 /nfs/dbraw/zinc/75/62/64/627756264.db2.gz ZLSVQYMLOVKZRU-OALUTQOASA-N 2 2 310.441 3.138 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)c(C)c1 ZINC000925592486 627759964 /nfs/dbraw/zinc/75/99/64/627759964.db2.gz IISVUVJKMWRKTJ-PBWTXFEYSA-N 2 2 313.445 3.254 20 0 DGADLP CC[C@@H]1COC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000925596001 627760789 /nfs/dbraw/zinc/76/07/89/627760789.db2.gz VZANTGLHRNGPNS-QRQLOZEOSA-N 2 2 313.445 3.256 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642686 627768171 /nfs/dbraw/zinc/76/81/71/627768171.db2.gz AUNHJEWYHYYOPE-QIJZBDPFSA-N 2 2 304.409 3.016 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642683 627768344 /nfs/dbraw/zinc/76/83/44/627768344.db2.gz AUNHJEWYHYYOPE-NQZOLGFYSA-N 2 2 304.409 3.016 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925645163 627769034 /nfs/dbraw/zinc/76/90/34/627769034.db2.gz ODOIQLLPQGQLJM-NQZOLGFYSA-N 2 2 304.409 3.016 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925702078 627778357 /nfs/dbraw/zinc/77/83/57/627778357.db2.gz KHQGLUUMKNFQNY-QKYXUNIQSA-N 2 2 309.457 3.482 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000925757048 627789794 /nfs/dbraw/zinc/78/97/94/627789794.db2.gz RLSHXCWOLHMCEF-LBPRGKRZSA-N 2 2 310.413 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CCCC2 ZINC000925770875 627792297 /nfs/dbraw/zinc/79/22/97/627792297.db2.gz XHKSENMUAWYGDA-COXVUDFISA-N 2 2 318.461 3.201 20 0 DGADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000925773353 627792668 /nfs/dbraw/zinc/79/26/68/627792668.db2.gz XWIOBOTYNJUHGC-KURKYZTESA-N 3 2 312.461 3.120 20 0 DGADLP COc1ccc(F)cc1CC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925773922 627793127 /nfs/dbraw/zinc/79/31/27/627793127.db2.gz IBYTZHHGJHICKT-ACJLOTCBSA-N 2 2 302.393 3.055 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)s1 ZINC000925795757 627796228 /nfs/dbraw/zinc/79/62/28/627796228.db2.gz PRMDIUCQAZPECG-KBPBESRZSA-N 2 2 308.491 3.120 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nccc2c1CCCC2 ZINC000925805943 627798289 /nfs/dbraw/zinc/79/82/89/627798289.db2.gz MSOPZMVDIUEIBP-HNAYVOBHSA-N 2 2 309.457 3.009 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2ccccn2)c1 ZINC000925814278 627799121 /nfs/dbraw/zinc/79/91/21/627799121.db2.gz JWQMHRNBGKVVFM-FXAWDEMLSA-N 2 2 318.424 3.281 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000925813136 627799218 /nfs/dbraw/zinc/79/92/18/627799218.db2.gz QSDOTZVKWLPADY-VXGBXAGGSA-N 2 2 303.631 3.072 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000925879592 627811070 /nfs/dbraw/zinc/81/10/70/627811070.db2.gz ACWDBCKCKNFKBE-RYGJVYDSSA-N 2 2 310.441 3.369 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926494561 627903845 /nfs/dbraw/zinc/90/38/45/627903845.db2.gz JBTSQCPRRQOVIC-BHYGNILZSA-N 2 2 302.487 3.482 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926494561 627903847 /nfs/dbraw/zinc/90/38/47/627903847.db2.gz JBTSQCPRRQOVIC-BHYGNILZSA-N 2 2 302.487 3.482 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000926597873 627920594 /nfs/dbraw/zinc/92/05/94/627920594.db2.gz CQMJDISZNOEWBW-LJQANCHMSA-N 2 2 302.462 3.358 20 0 DGADLP C([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926745723 627945964 /nfs/dbraw/zinc/94/59/64/627945964.db2.gz PFAOWYUZTPNVRS-QRQLOZEOSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926745723 627945966 /nfs/dbraw/zinc/94/59/66/627945966.db2.gz PFAOWYUZTPNVRS-QRQLOZEOSA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000817892735 627953385 /nfs/dbraw/zinc/95/33/85/627953385.db2.gz BXGZIDMYKLULDO-KKUMJFAQSA-N 2 2 317.260 3.147 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926789839 627954785 /nfs/dbraw/zinc/95/47/85/627954785.db2.gz KSBMCJDQYKRMML-MUGJNUQGSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926789839 627954788 /nfs/dbraw/zinc/95/47/88/627954788.db2.gz KSBMCJDQYKRMML-MUGJNUQGSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817905786 627957844 /nfs/dbraw/zinc/95/78/44/627957844.db2.gz SXLDOHLLLAHFSH-WKPIXPDZSA-N 2 2 317.260 3.147 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc12 ZINC000926885801 627970137 /nfs/dbraw/zinc/97/01/37/627970137.db2.gz QGCPGYCZBATHOH-ZWKOTPCHSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc12 ZINC000926885801 627970139 /nfs/dbraw/zinc/97/01/39/627970139.db2.gz QGCPGYCZBATHOH-ZWKOTPCHSA-N 2 2 311.429 3.047 20 0 DGADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000926917145 627980413 /nfs/dbraw/zinc/98/04/13/627980413.db2.gz XCOQOXFEYPLXRV-ATZDWAIDSA-N 2 2 311.429 3.482 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000926922376 627982056 /nfs/dbraw/zinc/98/20/56/627982056.db2.gz HOOKOKWZRLUUHN-PMACEKPBSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000926922376 627982058 /nfs/dbraw/zinc/98/20/58/627982058.db2.gz HOOKOKWZRLUUHN-PMACEKPBSA-N 2 2 309.457 3.384 20 0 DGADLP CC(C)[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926956979 627988940 /nfs/dbraw/zinc/98/89/40/627988940.db2.gz DWKAPXNFLGXQBP-QGZVFWFLSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926956979 627988942 /nfs/dbraw/zinc/98/89/42/627988942.db2.gz DWKAPXNFLGXQBP-QGZVFWFLSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CCC1 ZINC000926961148 627989720 /nfs/dbraw/zinc/98/97/20/627989720.db2.gz WPQLAHFEFCIOEE-QGZVFWFLSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1CCC1 ZINC000926961148 627989726 /nfs/dbraw/zinc/98/97/26/627989726.db2.gz WPQLAHFEFCIOEE-QGZVFWFLSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000927105714 628015760 /nfs/dbraw/zinc/01/57/60/628015760.db2.gz GPHABSRIDOWINW-XLIONFOSSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000927105714 628015763 /nfs/dbraw/zinc/01/57/63/628015763.db2.gz GPHABSRIDOWINW-XLIONFOSSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000823591596 628577727 /nfs/dbraw/zinc/57/77/27/628577727.db2.gz UASNLDNNJLMTJU-AWEZNQCLSA-N 2 2 321.428 3.334 20 0 DGADLP COc1cc(C)ccc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823683551 628586499 /nfs/dbraw/zinc/58/64/99/628586499.db2.gz BCFLNCXXNKCLJQ-QGZVFWFLSA-N 2 2 301.434 3.405 20 0 DGADLP C[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(Cl)Cl ZINC000824772739 628692137 /nfs/dbraw/zinc/69/21/37/628692137.db2.gz HOMDCTHIAVEYMV-CQSZACIVSA-N 2 2 314.260 3.224 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[NH2+]C(C)C)c2)[nH+]c1C ZINC000827599022 628975343 /nfs/dbraw/zinc/97/53/43/628975343.db2.gz DOBKXTKBPXFAGO-UHFFFAOYSA-N 2 2 300.406 3.020 20 0 DGADLP CCc1nc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)co1 ZINC000834899795 629802652 /nfs/dbraw/zinc/80/26/52/629802652.db2.gz KHIMXFMZDBEKBI-AWEZNQCLSA-N 2 2 317.433 3.028 20 0 DGADLP CN(C)c1ccc(C2CC[NH+](CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000841023027 630397255 /nfs/dbraw/zinc/39/72/55/630397255.db2.gz ZPQVTWSJLPTERN-UHFFFAOYSA-N 2 2 303.494 3.320 20 0 DGADLP OC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCCCC1 ZINC000842148677 630499011 /nfs/dbraw/zinc/49/90/11/630499011.db2.gz ZJHPPRWBDLMRLV-UHFFFAOYSA-N 2 2 319.836 3.311 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000842478170 630540329 /nfs/dbraw/zinc/54/03/29/630540329.db2.gz GHHYYARZCJZCAM-ZOBUZTSGSA-N 2 2 317.477 3.055 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000842478170 630540332 /nfs/dbraw/zinc/54/03/32/630540332.db2.gz GHHYYARZCJZCAM-ZOBUZTSGSA-N 2 2 317.477 3.055 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058115 630610052 /nfs/dbraw/zinc/61/00/52/630610052.db2.gz PQGJYZNDWKHELB-TZMCWYRMSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058115 630610053 /nfs/dbraw/zinc/61/00/53/630610053.db2.gz PQGJYZNDWKHELB-TZMCWYRMSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843115684 630615127 /nfs/dbraw/zinc/61/51/27/630615127.db2.gz IROWMKXCFYPIOW-QGZVFWFLSA-N 2 2 318.852 3.005 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843115684 630615128 /nfs/dbraw/zinc/61/51/28/630615128.db2.gz IROWMKXCFYPIOW-QGZVFWFLSA-N 2 2 318.852 3.005 20 0 DGADLP CC(C)[C@@H]([NH3+])c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000843151635 630621124 /nfs/dbraw/zinc/62/11/24/630621124.db2.gz APCUYLCHNVTJNR-LSDHHAIUSA-N 2 2 300.406 3.063 20 0 DGADLP CC(C)[C@@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000843151635 630621127 /nfs/dbraw/zinc/62/11/27/630621127.db2.gz APCUYLCHNVTJNR-LSDHHAIUSA-N 2 2 300.406 3.063 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000843357353 630649224 /nfs/dbraw/zinc/64/92/24/630649224.db2.gz GVQBDEBHRUCXRL-HUUCEWRRSA-N 2 2 311.429 3.279 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000843357353 630649227 /nfs/dbraw/zinc/64/92/27/630649227.db2.gz GVQBDEBHRUCXRL-HUUCEWRRSA-N 2 2 311.429 3.279 20 0 DGADLP Clc1nc2ccccc2cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843382409 630651081 /nfs/dbraw/zinc/65/10/81/630651081.db2.gz OWZVXYZIEUMKPZ-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1nc2ccccc2cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843382409 630651084 /nfs/dbraw/zinc/65/10/84/630651084.db2.gz OWZVXYZIEUMKPZ-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)c2)[nH+]c1C ZINC000844176534 630711564 /nfs/dbraw/zinc/71/15/64/630711564.db2.gz SVBLXYZZCIXYBH-MEDUHNTESA-N 2 2 312.417 3.020 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[NH2+]CC3)c2)[nH+]c1C ZINC000846674479 631284035 /nfs/dbraw/zinc/28/40/35/631284035.db2.gz YZVZJYILNYFZQZ-CQSZACIVSA-N 2 2 312.417 3.022 20 0 DGADLP CC(C)Oc1ccc(NC(=[NH2+])NCCCCn2cc[nH+]c2)cc1 ZINC000848995483 631801409 /nfs/dbraw/zinc/80/14/09/631801409.db2.gz LWOGWERRGYSKAM-UHFFFAOYSA-N 2 2 315.421 3.087 20 0 DGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])Nc1ccccc1)c1ccco1 ZINC000849023445 631809940 /nfs/dbraw/zinc/80/99/40/631809940.db2.gz UXYFCRNCWQLTHY-ZFWWWQNUSA-N 2 2 300.406 3.345 20 0 DGADLP CC(C)Cc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1 ZINC000849028842 631812307 /nfs/dbraw/zinc/81/23/07/631812307.db2.gz IQEYAFDRKZAICN-SFHVURJKSA-N 2 2 316.493 3.106 20 0 DGADLP CC(C)CNC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054285 631819539 /nfs/dbraw/zinc/81/95/39/631819539.db2.gz BIKTUSFJNPTLEQ-INIZCTEOSA-N 2 2 322.884 3.247 20 0 DGADLP O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000850371888 632128884 /nfs/dbraw/zinc/12/88/84/632128884.db2.gz NAXVWOMGURLZQH-SFTDATJTSA-N 2 2 322.452 3.419 20 0 DGADLP Fc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000852016092 632539255 /nfs/dbraw/zinc/53/92/55/632539255.db2.gz ULPUHXBTCGDYQZ-CQSZACIVSA-N 2 2 314.408 3.133 20 0 DGADLP Fc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000852016092 632539258 /nfs/dbraw/zinc/53/92/58/632539258.db2.gz ULPUHXBTCGDYQZ-CQSZACIVSA-N 2 2 314.408 3.133 20 0 DGADLP ClC1(Cl)C[C@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852115190 632557417 /nfs/dbraw/zinc/55/74/17/632557417.db2.gz MVQVMQRVDBXURQ-AWEZNQCLSA-N 2 2 313.272 3.434 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000708522368 660923956 /nfs/dbraw/zinc/92/39/56/660923956.db2.gz VXZFJFFTVXXDLM-PBHICJAKSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000708522368 660923961 /nfs/dbraw/zinc/92/39/61/660923961.db2.gz VXZFJFFTVXXDLM-PBHICJAKSA-N 2 2 315.486 3.309 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCSCC1 ZINC000187080599 660948598 /nfs/dbraw/zinc/94/85/98/660948598.db2.gz MOLGCYBGLYPKSO-CQSZACIVSA-N 2 2 301.459 3.494 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccnc3F)CC2)C1 ZINC000793286667 661021319 /nfs/dbraw/zinc/02/13/19/661021319.db2.gz ZKSIKMSIYVLBMH-PBHICJAKSA-N 2 2 305.441 3.353 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1F ZINC000794836613 661108542 /nfs/dbraw/zinc/10/85/42/661108542.db2.gz RKZLFBOCQWMUND-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1F ZINC000794836613 661108545 /nfs/dbraw/zinc/10/85/45/661108545.db2.gz RKZLFBOCQWMUND-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001022461224 655740687 /nfs/dbraw/zinc/74/06/87/655740687.db2.gz FBXMPVREKWANJS-HDICACEKSA-N 2 2 323.440 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001022462573 655740753 /nfs/dbraw/zinc/74/07/53/655740753.db2.gz UIEFSCMFUDGEMW-CALCHBBNSA-N 2 2 315.461 3.047 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192929596 658798504 /nfs/dbraw/zinc/79/85/04/658798504.db2.gz ITASWQSTGAGYAK-HNAYVOBHSA-N 2 2 307.397 3.257 20 0 DGADLP C[C@@H](C[NH2+]Cc1csc(-c2ccsc2)n1)Cn1cc[nH+]c1 ZINC000062254254 659312212 /nfs/dbraw/zinc/31/22/12/659312212.db2.gz GPWHVUIEZJVRIC-LBPRGKRZSA-N 2 2 318.471 3.494 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)c2ccccc2)CCC1 ZINC000313559116 659588748 /nfs/dbraw/zinc/58/87/48/659588748.db2.gz MWWRQJYBGLQQGU-HXUWFJFHSA-N 2 2 324.468 3.364 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)c2ccccc2)CCC1 ZINC000313559116 659588755 /nfs/dbraw/zinc/58/87/55/659588755.db2.gz MWWRQJYBGLQQGU-HXUWFJFHSA-N 2 2 324.468 3.364 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644547 661324270 /nfs/dbraw/zinc/32/42/70/661324270.db2.gz SRDDYJZAZPVWPI-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644547 661324272 /nfs/dbraw/zinc/32/42/72/661324272.db2.gz SRDDYJZAZPVWPI-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644547 661324274 /nfs/dbraw/zinc/32/42/74/661324274.db2.gz SRDDYJZAZPVWPI-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)nn1 ZINC000929644547 661324276 /nfs/dbraw/zinc/32/42/76/661324276.db2.gz SRDDYJZAZPVWPI-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929696099 661329312 /nfs/dbraw/zinc/32/93/12/661329312.db2.gz KHROKIMKOJQZCV-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929696099 661329314 /nfs/dbraw/zinc/32/93/14/661329314.db2.gz KHROKIMKOJQZCV-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)[nH]1 ZINC000929991564 661356073 /nfs/dbraw/zinc/35/60/73/661356073.db2.gz GZRMUSQYNKMPLK-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)[nH]1 ZINC000929991564 661356074 /nfs/dbraw/zinc/35/60/74/661356074.db2.gz GZRMUSQYNKMPLK-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000930171228 661373307 /nfs/dbraw/zinc/37/33/07/661373307.db2.gz NDPJUOPFCKZJLH-UONOGXRCSA-N 2 2 320.399 3.047 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000930171228 661373309 /nfs/dbraw/zinc/37/33/09/661373309.db2.gz NDPJUOPFCKZJLH-UONOGXRCSA-N 2 2 320.399 3.047 20 0 DGADLP C[C@@H]1C[C@H](C[N@H+](C)CCC[NH+](C)Cc2ccco2)C[C@H](C)O1 ZINC000930475398 661402248 /nfs/dbraw/zinc/40/22/48/661402248.db2.gz GKSKXLDMMJXHMN-FVQHAEBGSA-N 2 2 308.466 3.237 20 0 DGADLP C[C@@H]1C[C@H](C[N@@H+](C)CCC[NH+](C)Cc2ccco2)C[C@H](C)O1 ZINC000930475398 661402249 /nfs/dbraw/zinc/40/22/49/661402249.db2.gz GKSKXLDMMJXHMN-FVQHAEBGSA-N 2 2 308.466 3.237 20 0 DGADLP C[C@@H]1C[C@H](C[NH+](C)CCC[N@H+](C)Cc2ccco2)C[C@H](C)O1 ZINC000930475398 661402250 /nfs/dbraw/zinc/40/22/50/661402250.db2.gz GKSKXLDMMJXHMN-FVQHAEBGSA-N 2 2 308.466 3.237 20 0 DGADLP C[C@@H]1C[C@H](C[NH+](C)CCC[N@@H+](C)Cc2ccco2)C[C@H](C)O1 ZINC000930475398 661402251 /nfs/dbraw/zinc/40/22/51/661402251.db2.gz GKSKXLDMMJXHMN-FVQHAEBGSA-N 2 2 308.466 3.237 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c(C)s1 ZINC000931287912 661464159 /nfs/dbraw/zinc/46/41/59/661464159.db2.gz WTDYFQKLVVNGPU-UHFFFAOYSA-N 2 2 308.491 3.052 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c(C)s1 ZINC000931287912 661464161 /nfs/dbraw/zinc/46/41/61/661464161.db2.gz WTDYFQKLVVNGPU-UHFFFAOYSA-N 2 2 308.491 3.052 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287982 661464392 /nfs/dbraw/zinc/46/43/92/661464392.db2.gz FZYXHGZFUOFQBB-LJQANCHMSA-N 2 2 320.452 3.464 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287982 661464393 /nfs/dbraw/zinc/46/43/93/661464393.db2.gz FZYXHGZFUOFQBB-LJQANCHMSA-N 2 2 320.452 3.464 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](CCSc3ccc(F)cc3)C[C@]2(C)C1 ZINC000931305747 661465712 /nfs/dbraw/zinc/46/57/12/661465712.db2.gz CKNOMQOZHJHTII-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](CCSc3ccc(F)cc3)C[C@]2(C)C1 ZINC000931305747 661465714 /nfs/dbraw/zinc/46/57/14/661465714.db2.gz CKNOMQOZHJHTII-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](CCSc3ccc(F)cc3)C[C@]2(C)C1 ZINC000931305747 661465716 /nfs/dbraw/zinc/46/57/16/661465716.db2.gz CKNOMQOZHJHTII-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](CCSc3ccc(F)cc3)C[C@]2(C)C1 ZINC000931305747 661465720 /nfs/dbraw/zinc/46/57/20/661465720.db2.gz CKNOMQOZHJHTII-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3cccc4ccccc43)C[C@]2(C)C1 ZINC000931314923 661466610 /nfs/dbraw/zinc/46/66/10/661466610.db2.gz SFMGQABSVWKNRO-PCCBWWKXSA-N 2 2 324.468 3.147 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3cccc4ccccc43)C[C@]2(C)C1 ZINC000931314923 661466613 /nfs/dbraw/zinc/46/66/13/661466613.db2.gz SFMGQABSVWKNRO-PCCBWWKXSA-N 2 2 324.468 3.147 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)c3cccc4ccccc43)C[C@]2(C)C1 ZINC000931314923 661466614 /nfs/dbraw/zinc/46/66/14/661466614.db2.gz SFMGQABSVWKNRO-PCCBWWKXSA-N 2 2 324.468 3.147 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)c3cccc4ccccc43)C[C@]2(C)C1 ZINC000931314923 661466616 /nfs/dbraw/zinc/46/66/16/661466616.db2.gz SFMGQABSVWKNRO-PCCBWWKXSA-N 2 2 324.468 3.147 20 0 DGADLP COc1ncc(C[NH+]2CCC(C)([NH+](C)C)CC2)c2ccccc21 ZINC000931354570 661469795 /nfs/dbraw/zinc/46/97/95/661469795.db2.gz MJNBHPSTOHLAMC-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000931516106 661484659 /nfs/dbraw/zinc/48/46/59/661484659.db2.gz HNZOYCRWMMPGOS-OXJNMPFZSA-N 2 2 323.440 3.332 20 0 DGADLP CC[C@@](O)(C[NH+]1CCC(C)([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000931612488 661492652 /nfs/dbraw/zinc/49/26/52/661492652.db2.gz QEIIOWAURJVHED-OAHLLOKOSA-N 2 2 322.415 3.030 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620028 661493822 /nfs/dbraw/zinc/49/38/22/661493822.db2.gz CPRPWOWIUVDKHZ-WCXIOVBPSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620028 661493823 /nfs/dbraw/zinc/49/38/23/661493823.db2.gz CPRPWOWIUVDKHZ-WCXIOVBPSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620028 661493825 /nfs/dbraw/zinc/49/38/25/661493825.db2.gz CPRPWOWIUVDKHZ-WCXIOVBPSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620028 661493828 /nfs/dbraw/zinc/49/38/28/661493828.db2.gz CPRPWOWIUVDKHZ-WCXIOVBPSA-N 2 2 306.400 3.204 20 0 DGADLP c1cn(C[C@@H]([NH2+]CCCc2cccnc2)c2ccccc2)c[nH+]1 ZINC000931707147 661500206 /nfs/dbraw/zinc/50/02/06/661500206.db2.gz NTLNCMXZMNJUPN-LJQANCHMSA-N 2 2 306.413 3.242 20 0 DGADLP COC[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000931707745 661500443 /nfs/dbraw/zinc/50/04/43/661500443.db2.gz SKOCQEXJGHDUTG-MSOLQXFVSA-N 2 2 301.434 3.133 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931720581 661502226 /nfs/dbraw/zinc/50/22/26/661502226.db2.gz ZHHFRJBOTWWEFZ-YLFCFFPRSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931720581 661502230 /nfs/dbraw/zinc/50/22/30/661502230.db2.gz ZHHFRJBOTWWEFZ-YLFCFFPRSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931720581 661502233 /nfs/dbraw/zinc/50/22/33/661502233.db2.gz ZHHFRJBOTWWEFZ-YLFCFFPRSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931720581 661502235 /nfs/dbraw/zinc/50/22/35/661502235.db2.gz ZHHFRJBOTWWEFZ-YLFCFFPRSA-N 2 2 306.400 3.204 20 0 DGADLP CCC[N@H+](CC[C@@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186204 661685276 /nfs/dbraw/zinc/68/52/76/661685276.db2.gz RAXALHXSKHHLAX-QGZVFWFLSA-N 2 2 304.478 3.134 20 0 DGADLP CCC[N@@H+](CC[C@@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186204 661685277 /nfs/dbraw/zinc/68/52/77/661685277.db2.gz RAXALHXSKHHLAX-QGZVFWFLSA-N 2 2 304.478 3.134 20 0 DGADLP CSCC(C)(C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000934671029 661724288 /nfs/dbraw/zinc/72/42/88/661724288.db2.gz UWGUWMZMKFFIQH-QGZVFWFLSA-N 2 2 322.518 3.009 20 0 DGADLP CSCC(C)(C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000934671029 661724289 /nfs/dbraw/zinc/72/42/89/661724289.db2.gz UWGUWMZMKFFIQH-QGZVFWFLSA-N 2 2 322.518 3.009 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000159604243 661891054 /nfs/dbraw/zinc/89/10/54/661891054.db2.gz NBONFTXACXKOLY-INIZCTEOSA-N 2 2 319.518 3.207 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)C[NH2+]CCO1 ZINC001576526223 1191839425 /nfs/dbraw/zinc/83/94/25/1191839425.db2.gz NZTWPXAMZGBXHD-QGZVFWFLSA-N 2 2 320.820 3.068 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccc(Cl)c(F)c2)[C@@H]1C ZINC001576652174 1191859298 /nfs/dbraw/zinc/85/92/98/1191859298.db2.gz TYSKRXQHJYARRD-UPJWGTAASA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccc(Cl)c(F)c2)[C@@H]1C ZINC001576652174 1191859299 /nfs/dbraw/zinc/85/92/99/1191859299.db2.gz TYSKRXQHJYARRD-UPJWGTAASA-N 2 2 314.832 3.306 20 0 DGADLP COc1nsc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1Cl ZINC001620780079 1191863293 /nfs/dbraw/zinc/86/32/93/1191863293.db2.gz YKAQKKXCOSUJMB-NSHDSACASA-N 2 2 317.886 3.015 20 0 DGADLP COc1nsc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1Cl ZINC001620780079 1191863297 /nfs/dbraw/zinc/86/32/97/1191863297.db2.gz YKAQKKXCOSUJMB-NSHDSACASA-N 2 2 317.886 3.015 20 0 DGADLP CCCC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC001577371731 1191895768 /nfs/dbraw/zinc/89/57/68/1191895768.db2.gz JYKYSDDPSXYEEC-GOSISDBHSA-N 3 2 307.526 3.153 20 0 DGADLP CCCC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC[NH2+]CC1 ZINC001577371731 1191895771 /nfs/dbraw/zinc/89/57/71/1191895771.db2.gz JYKYSDDPSXYEEC-GOSISDBHSA-N 3 2 307.526 3.153 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001577396700 1191897677 /nfs/dbraw/zinc/89/76/77/1191897677.db2.gz AYVJBDJFMKSPDF-INIZCTEOSA-N 2 2 306.450 3.249 20 0 DGADLP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]([NH3+])CCC(C)(C)C ZINC001577736822 1191914358 /nfs/dbraw/zinc/91/43/58/1191914358.db2.gz ACKIUFJHBGPNQV-OAHLLOKOSA-N 2 2 306.450 3.391 20 0 DGADLP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]([NH3+])CCC(C)(C)C ZINC001577736822 1191914360 /nfs/dbraw/zinc/91/43/60/1191914360.db2.gz ACKIUFJHBGPNQV-OAHLLOKOSA-N 2 2 306.450 3.391 20 0 DGADLP CCn1c2ccc(Cl)cc2[nH+]c1NC[C@H]([NH3+])CC(F)(F)F ZINC001578342191 1191938749 /nfs/dbraw/zinc/93/87/49/1191938749.db2.gz FWOZVAJKGWJLLB-SECBINFHSA-N 2 2 320.746 3.401 20 0 DGADLP COc1ccc(C2CCC([NH2+][C@H](CC[NH3+])C(F)F)CC2)cc1 ZINC001579201971 1191968892 /nfs/dbraw/zinc/96/88/92/1191968892.db2.gz GNXWNAZNATVWSE-LDZOIKDWSA-N 2 2 312.404 3.294 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212627 1191969412 /nfs/dbraw/zinc/96/94/12/1191969412.db2.gz HHFHJQZCZMSROH-HNAYVOBHSA-N 2 2 302.462 3.306 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212627 1191969414 /nfs/dbraw/zinc/96/94/14/1191969414.db2.gz HHFHJQZCZMSROH-HNAYVOBHSA-N 2 2 302.462 3.306 20 0 DGADLP Cc1cccc2c1C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccccc1)CO2 ZINC001579775883 1191992581 /nfs/dbraw/zinc/99/25/81/1191992581.db2.gz HPHFSWNPTJIINN-BJLQDIEVSA-N 2 2 322.452 3.034 20 0 DGADLP Clc1ccccc1C[C@H]1CCCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC001579938463 1192000286 /nfs/dbraw/zinc/00/02/86/1192000286.db2.gz GUKBIRVXRXGJTI-IAGOWNOFSA-N 2 2 322.880 3.116 20 0 DGADLP Clc1ccccc1C[C@H]1CCCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC001579938463 1192000289 /nfs/dbraw/zinc/00/02/89/1192000289.db2.gz GUKBIRVXRXGJTI-IAGOWNOFSA-N 2 2 322.880 3.116 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC001580122627 1192008419 /nfs/dbraw/zinc/00/84/19/1192008419.db2.gz YJZJVRSSBZOUCX-KRWDZBQOSA-N 2 2 319.399 3.109 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC001580122627 1192008421 /nfs/dbraw/zinc/00/84/21/1192008421.db2.gz YJZJVRSSBZOUCX-KRWDZBQOSA-N 2 2 319.399 3.109 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nn(C)cc2Cl)c1 ZINC001620808780 1192090104 /nfs/dbraw/zinc/09/01/04/1192090104.db2.gz ZYEGDOHFNADAER-UHFFFAOYSA-N 2 2 320.868 3.204 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nn(C)cc2Cl)c1 ZINC001620808780 1192090110 /nfs/dbraw/zinc/09/01/10/1192090110.db2.gz ZYEGDOHFNADAER-UHFFFAOYSA-N 2 2 320.868 3.204 20 0 DGADLP CCO[C@H](C[NH2+]C/C=C\c1c(C)cc(C)cc1C)C[NH+](C)C ZINC001621064134 1192461691 /nfs/dbraw/zinc/46/16/91/1192461691.db2.gz OHXFNKTXKACBMS-CNZFZVQHSA-N 2 2 304.478 3.181 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC001620866856 1192485895 /nfs/dbraw/zinc/48/58/95/1192485895.db2.gz LUBLVSIFPGTQSZ-GOSISDBHSA-N 2 2 310.445 3.142 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC001620866857 1192486614 /nfs/dbraw/zinc/48/66/14/1192486614.db2.gz LUBLVSIFPGTQSZ-SFHVURJKSA-N 2 2 310.445 3.142 20 0 DGADLP C([C@H]1COC2(CCCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001208635989 1176026046 /nfs/dbraw/zinc/02/60/46/1176026046.db2.gz IORDXLIYYHBMIS-SFHVURJKSA-N 2 2 322.493 3.013 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001691403689 1176470627 /nfs/dbraw/zinc/47/06/27/1176470627.db2.gz TWFGAHLXXLCJNO-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC2 ZINC000378923556 1176750279 /nfs/dbraw/zinc/75/02/79/1176750279.db2.gz QSIHNZCFVQXXIC-ROUUACIJSA-N 2 2 304.478 3.118 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000395254208 1176759823 /nfs/dbraw/zinc/75/98/23/1176759823.db2.gz ZOZCVNRHTJMCJB-GFCCVEGCSA-N 2 2 308.223 3.132 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC001331092112 1178133589 /nfs/dbraw/zinc/13/35/89/1178133589.db2.gz UBZZYQGCZCKZCB-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001331092112 1178133592 /nfs/dbraw/zinc/13/35/92/1178133592.db2.gz UBZZYQGCZCKZCB-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109376 1178136524 /nfs/dbraw/zinc/13/65/24/1178136524.db2.gz KYNAMHQDJOYOMB-HZPDHXFCSA-N 2 2 319.493 3.268 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109376 1178136528 /nfs/dbraw/zinc/13/65/28/1178136528.db2.gz KYNAMHQDJOYOMB-HZPDHXFCSA-N 2 2 319.493 3.268 20 0 DGADLP Clc1cccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001333733920 1178662854 /nfs/dbraw/zinc/66/28/54/1178662854.db2.gz KFYBMZBQFUKORG-UHFFFAOYSA-N 2 2 322.880 3.116 20 0 DGADLP c1[nH]nc2c1cccc2C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001333809492 1178677637 /nfs/dbraw/zinc/67/76/37/1178677637.db2.gz NICNBLJZMBOHSR-UHFFFAOYSA-N 2 2 307.401 3.034 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CCC(C)(C)[NH3+])cc2)[nH+]c1C ZINC001349885467 1179972013 /nfs/dbraw/zinc/97/20/13/1179972013.db2.gz LBUANDYCGFLVSJ-UHFFFAOYSA-N 2 2 300.406 3.150 20 0 DGADLP CCC(CC)(C[NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001349886095 1179972028 /nfs/dbraw/zinc/97/20/28/1179972028.db2.gz QXCYZVCAHDEDGZ-UHFFFAOYSA-N 2 2 314.433 3.397 20 0 DGADLP C[C@@]1(C[NH+]2CCC(C(=O)c3cccs3)CC2)CCC[NH2+]C1 ZINC001352789695 1180400505 /nfs/dbraw/zinc/40/05/05/1180400505.db2.gz ZCLATFALGCNNQR-QGZVFWFLSA-N 2 2 306.475 3.033 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC001353605045 1180604656 /nfs/dbraw/zinc/60/46/56/1180604656.db2.gz HVOQBYGCYPIKGK-UHFFFAOYSA-N 2 2 304.482 3.257 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cn1 ZINC001353932833 1180688166 /nfs/dbraw/zinc/68/81/66/1180688166.db2.gz MCFACWQFLZKVHE-LBPRGKRZSA-N 2 2 301.356 3.237 20 0 DGADLP c1[nH+]c2c(n1CCc1ccccc1)CCN(c1cc[nH+]cc1)C2 ZINC001354011409 1180703164 /nfs/dbraw/zinc/70/31/64/1180703164.db2.gz HYDFNPSLHFZITM-UHFFFAOYSA-N 2 2 304.397 3.084 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1nccn1C1CC1 ZINC001355277126 1181027363 /nfs/dbraw/zinc/02/73/63/1181027363.db2.gz CMVYXRYVUPDBIH-UHFFFAOYSA-N 2 2 304.482 3.352 20 0 DGADLP CCc1cc(NCCC[N@@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001458102179 1182496519 /nfs/dbraw/zinc/49/65/19/1182496519.db2.gz VFMXQCMMIPDXKB-UHFFFAOYSA-N 2 2 324.472 3.462 20 0 DGADLP CCc1cc(NCCC[N@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001458102179 1182496522 /nfs/dbraw/zinc/49/65/22/1182496522.db2.gz VFMXQCMMIPDXKB-UHFFFAOYSA-N 2 2 324.472 3.462 20 0 DGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001460318452 1182677114 /nfs/dbraw/zinc/67/71/14/1182677114.db2.gz YRLNMDRHZAJXPD-UZLBHIALSA-N 2 2 318.505 3.434 20 0 DGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001460318452 1182677118 /nfs/dbraw/zinc/67/71/18/1182677118.db2.gz YRLNMDRHZAJXPD-UZLBHIALSA-N 2 2 318.505 3.434 20 0 DGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001460318449 1182677842 /nfs/dbraw/zinc/67/78/42/1182677842.db2.gz YRLNMDRHZAJXPD-JXFKEZNVSA-N 2 2 318.505 3.434 20 0 DGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001460318449 1182677845 /nfs/dbraw/zinc/67/78/45/1182677845.db2.gz YRLNMDRHZAJXPD-JXFKEZNVSA-N 2 2 318.505 3.434 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@]34CCCOC4)cc2)c[nH+]1 ZINC001460982750 1182750317 /nfs/dbraw/zinc/75/03/17/1182750317.db2.gz YUSSOUMCDAHLIM-IBGZPJMESA-N 2 2 311.429 3.407 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@@]34CCCOC4)cc2)c[nH+]1 ZINC001460982750 1182750322 /nfs/dbraw/zinc/75/03/22/1182750322.db2.gz YUSSOUMCDAHLIM-IBGZPJMESA-N 2 2 311.429 3.407 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001461372580 1182800705 /nfs/dbraw/zinc/80/07/05/1182800705.db2.gz HUNYOXBPFJZWLG-HNNXBMFYSA-N 2 2 321.534 3.480 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001461372580 1182800713 /nfs/dbraw/zinc/80/07/13/1182800713.db2.gz HUNYOXBPFJZWLG-HNNXBMFYSA-N 2 2 321.534 3.480 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001461370132 1182801715 /nfs/dbraw/zinc/80/17/15/1182801715.db2.gz PJGIFDFVEIUDEX-SFHVURJKSA-N 2 2 309.417 3.063 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(Cl)c1N ZINC001462181128 1182919612 /nfs/dbraw/zinc/91/96/12/1182919612.db2.gz ZLFXYKPRFGFVGU-UHFFFAOYSA-N 2 2 316.276 3.493 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(Cl)c1N ZINC001462181128 1182919617 /nfs/dbraw/zinc/91/96/17/1182919617.db2.gz ZLFXYKPRFGFVGU-UHFFFAOYSA-N 2 2 316.276 3.493 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001462592765 1182973521 /nfs/dbraw/zinc/97/35/21/1182973521.db2.gz FYXVIIVQASZFQP-OIPACUDHSA-N 2 2 323.912 3.056 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001462592765 1182973526 /nfs/dbraw/zinc/97/35/26/1182973526.db2.gz FYXVIIVQASZFQP-OIPACUDHSA-N 2 2 323.912 3.056 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C(C)(C)C ZINC001462619254 1182975976 /nfs/dbraw/zinc/97/59/76/1182975976.db2.gz QUFUJKYBBKZCEB-UZLBHIALSA-N 2 2 316.489 3.376 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1C(C)(C)C ZINC001462619254 1182975984 /nfs/dbraw/zinc/97/59/84/1182975984.db2.gz QUFUJKYBBKZCEB-UZLBHIALSA-N 2 2 316.489 3.376 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1C(C)(C)C ZINC001462619254 1182975990 /nfs/dbraw/zinc/97/59/90/1182975990.db2.gz QUFUJKYBBKZCEB-UZLBHIALSA-N 2 2 316.489 3.376 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C(C)(C)C ZINC001462619254 1182975995 /nfs/dbraw/zinc/97/59/95/1182975995.db2.gz QUFUJKYBBKZCEB-UZLBHIALSA-N 2 2 316.489 3.376 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@H]1C ZINC001472705239 1183670036 /nfs/dbraw/zinc/67/00/36/1183670036.db2.gz UJNXGBZTHCJOMK-GDBMZVCRSA-N 2 2 302.466 3.362 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@H]1C ZINC001472705239 1183670039 /nfs/dbraw/zinc/67/00/39/1183670039.db2.gz UJNXGBZTHCJOMK-GDBMZVCRSA-N 2 2 302.466 3.362 20 0 DGADLP CCc1nc(N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc(C)[nH+]1 ZINC001472859344 1183691428 /nfs/dbraw/zinc/69/14/28/1183691428.db2.gz GEPFQNZKRSDFCB-KRWDZBQOSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1nc(N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc(C)[nH+]1 ZINC001472859344 1183691430 /nfs/dbraw/zinc/69/14/30/1183691430.db2.gz GEPFQNZKRSDFCB-KRWDZBQOSA-N 2 2 310.445 3.342 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3([C@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245964 1183734943 /nfs/dbraw/zinc/73/49/43/1183734943.db2.gz ZEULANDMKCYLNQ-JKSUJKDBSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3([C@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245964 1183734945 /nfs/dbraw/zinc/73/49/45/1183734945.db2.gz ZEULANDMKCYLNQ-JKSUJKDBSA-N 2 2 303.450 3.329 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCn2cc(Cl)cn2)CC1 ZINC001473716835 1183793551 /nfs/dbraw/zinc/79/35/51/1183793551.db2.gz MACMVXBAMQTHKL-QGZVFWFLSA-N 2 2 324.900 3.123 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCn2cc(Cl)cn2)CC1 ZINC001473716835 1183793552 /nfs/dbraw/zinc/79/35/52/1183793552.db2.gz MACMVXBAMQTHKL-QGZVFWFLSA-N 2 2 324.900 3.123 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC001473894806 1183820662 /nfs/dbraw/zinc/82/06/62/1183820662.db2.gz RCAWSYPPGUDDPJ-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001473909687 1183825644 /nfs/dbraw/zinc/82/56/44/1183825644.db2.gz VXMUSIXGYOHRPP-LJQANCHMSA-N 2 2 318.505 3.431 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001473909687 1183825645 /nfs/dbraw/zinc/82/56/45/1183825645.db2.gz VXMUSIXGYOHRPP-LJQANCHMSA-N 2 2 318.505 3.431 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC001474195181 1183880150 /nfs/dbraw/zinc/88/01/50/1183880150.db2.gz NGJXRJMGORJLGR-FHLIZLRMSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC001474195181 1183880156 /nfs/dbraw/zinc/88/01/56/1183880156.db2.gz NGJXRJMGORJLGR-FHLIZLRMSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC001474195183 1183880625 /nfs/dbraw/zinc/88/06/25/1183880625.db2.gz NGJXRJMGORJLGR-OLMNPRSZSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC001474195183 1183880630 /nfs/dbraw/zinc/88/06/30/1183880630.db2.gz NGJXRJMGORJLGR-OLMNPRSZSA-N 2 2 300.446 3.117 20 0 DGADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001474464357 1183925863 /nfs/dbraw/zinc/92/58/63/1183925863.db2.gz NOCCHDCXCPROFW-UHFFFAOYSA-N 2 2 308.441 3.434 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC001474755387 1183973552 /nfs/dbraw/zinc/97/35/52/1183973552.db2.gz PQYVGPTYZPDBCC-UHFFFAOYSA-N 2 2 308.429 3.291 20 0 DGADLP CC1(C)CC[N@H+](CCCc2ccc3c(c2)CCO3)CC(C)(C)[NH2+]1 ZINC001474754952 1183973799 /nfs/dbraw/zinc/97/37/99/1183973799.db2.gz GDKSPDNCUZLHLT-UHFFFAOYSA-N 2 2 316.489 3.407 20 0 DGADLP CC1(C)CC[N@@H+](CCCc2ccc3c(c2)CCO3)CC(C)(C)[NH2+]1 ZINC001474754952 1183973801 /nfs/dbraw/zinc/97/38/01/1183973801.db2.gz GDKSPDNCUZLHLT-UHFFFAOYSA-N 2 2 316.489 3.407 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001480507421 1184540143 /nfs/dbraw/zinc/54/01/43/1184540143.db2.gz NKGQJGJQOCXQEN-XJKSGUPXSA-N 2 2 319.493 3.397 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CCC3)CCC2)c(C)[nH+]1 ZINC001501984796 1185943711 /nfs/dbraw/zinc/94/37/11/1185943711.db2.gz VNXYCEUZFXUOPO-UHFFFAOYSA-N 2 2 315.461 3.049 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001503363887 1186043616 /nfs/dbraw/zinc/04/36/16/1186043616.db2.gz UOLKQNVNBAHUIV-TVIZTDCDSA-N 2 2 317.477 3.151 20 0 DGADLP CCOc1cccc(F)c1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001550059523 1188576222 /nfs/dbraw/zinc/57/62/22/1188576222.db2.gz UDXNWJSOAGWWBF-CQSZACIVSA-N 2 2 317.408 3.338 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001550060838 1188576430 /nfs/dbraw/zinc/57/64/30/1188576430.db2.gz YAYLNLPNDSLNDT-CQSZACIVSA-N 2 2 316.424 3.005 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001550060838 1188576432 /nfs/dbraw/zinc/57/64/32/1188576432.db2.gz YAYLNLPNDSLNDT-CQSZACIVSA-N 2 2 316.424 3.005 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001550058636 1188576747 /nfs/dbraw/zinc/57/67/47/1188576747.db2.gz NHQXGRBQAYTJOF-QFBILLFUSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001550058636 1188576749 /nfs/dbraw/zinc/57/67/49/1188576749.db2.gz NHQXGRBQAYTJOF-QFBILLFUSA-N 2 2 309.457 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)nc1Cl ZINC001550130417 1188584905 /nfs/dbraw/zinc/58/49/05/1188584905.db2.gz OSISYQCPZYFESO-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)nc1Cl ZINC001550130417 1188584907 /nfs/dbraw/zinc/58/49/07/1188584907.db2.gz OSISYQCPZYFESO-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)[nH+]c1C ZINC001550219378 1188594761 /nfs/dbraw/zinc/59/47/61/1188594761.db2.gz UVPGJSWBERQJQO-GJZGRUSLSA-N 2 2 312.417 3.150 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCCC[NH2+]C3)cc2)[nH+]c1C ZINC001550218821 1188595232 /nfs/dbraw/zinc/59/52/32/1188595232.db2.gz PFVQAKBAIZDLEU-HNNXBMFYSA-N 2 2 312.417 3.022 20 0 DGADLP Clc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC001550474778 1188617466 /nfs/dbraw/zinc/61/74/66/1188617466.db2.gz CJFVVJUJLBOLAS-BBWFWOEESA-N 2 2 320.864 3.434 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1F ZINC001550531521 1188619779 /nfs/dbraw/zinc/61/97/79/1188619779.db2.gz VLXWRJKPWDIKGV-CYBMUJFWSA-N 2 2 305.372 3.386 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1F ZINC001550531521 1188619781 /nfs/dbraw/zinc/61/97/81/1188619781.db2.gz VLXWRJKPWDIKGV-CYBMUJFWSA-N 2 2 305.372 3.386 20 0 DGADLP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624702 1188633496 /nfs/dbraw/zinc/63/34/96/1188633496.db2.gz ZAKKBBZTZZSJTO-HOCLYGCPSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@H]1Cc2cc(C[N@H+]3CCC[C@H](c4c[nH+]cn4C)C3)ccc2O1 ZINC001550624702 1188633497 /nfs/dbraw/zinc/63/34/97/1188633497.db2.gz ZAKKBBZTZZSJTO-HOCLYGCPSA-N 2 2 311.429 3.123 20 0 DGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC001551378978 1188732053 /nfs/dbraw/zinc/73/20/53/1188732053.db2.gz VOBZXZCGRFLFTN-QKLQHJQFSA-N 2 2 324.424 3.123 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2cccc3[nH]ccc32)CC1 ZINC001553875010 1188953562 /nfs/dbraw/zinc/95/35/62/1188953562.db2.gz HTFGJSXELMEVLH-UHFFFAOYSA-N 2 2 308.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC001559840266 1189247731 /nfs/dbraw/zinc/24/77/31/1189247731.db2.gz XRIWCFHZOCAHFK-GOSISDBHSA-N 2 2 315.461 3.410 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC001559840266 1189247734 /nfs/dbraw/zinc/24/77/34/1189247734.db2.gz XRIWCFHZOCAHFK-GOSISDBHSA-N 2 2 315.461 3.410 20 0 DGADLP CCCC[N@@H+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[NH+](C)C1CC1 ZINC001560163779 1189285067 /nfs/dbraw/zinc/28/50/67/1189285067.db2.gz AOPYNUCQOBQEKV-SFHVURJKSA-N 2 2 322.493 3.262 20 0 DGADLP CCCC[N@H+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[NH+](C)C1CC1 ZINC001560163779 1189285071 /nfs/dbraw/zinc/28/50/71/1189285071.db2.gz AOPYNUCQOBQEKV-SFHVURJKSA-N 2 2 322.493 3.262 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC001560163779 1189285074 /nfs/dbraw/zinc/28/50/74/1189285074.db2.gz AOPYNUCQOBQEKV-SFHVURJKSA-N 2 2 322.493 3.262 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001560163779 1189285076 /nfs/dbraw/zinc/28/50/76/1189285076.db2.gz AOPYNUCQOBQEKV-SFHVURJKSA-N 2 2 322.493 3.262 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234582 1189295288 /nfs/dbraw/zinc/29/52/88/1189295288.db2.gz JBNWDIPHBVFJMJ-GJZGRUSLSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234582 1189295291 /nfs/dbraw/zinc/29/52/91/1189295291.db2.gz JBNWDIPHBVFJMJ-GJZGRUSLSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234581 1189295706 /nfs/dbraw/zinc/29/57/06/1189295706.db2.gz JBNWDIPHBVFJMJ-CABCVRRESA-N 2 2 313.449 3.369 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234581 1189295711 /nfs/dbraw/zinc/29/57/11/1189295711.db2.gz JBNWDIPHBVFJMJ-CABCVRRESA-N 2 2 313.449 3.369 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001560235366 1189295973 /nfs/dbraw/zinc/29/59/73/1189295973.db2.gz IMXQADGZVAEETG-GJYPPUQNSA-N 2 2 317.477 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001560235366 1189295975 /nfs/dbraw/zinc/29/59/75/1189295975.db2.gz IMXQADGZVAEETG-GJYPPUQNSA-N 2 2 317.477 3.244 20 0 DGADLP CN(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001560259465 1189300874 /nfs/dbraw/zinc/30/08/74/1189300874.db2.gz OPNIKSJWUCSWSE-UHFFFAOYSA-N 2 2 312.442 3.160 20 0 DGADLP CCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC001560277294 1189304664 /nfs/dbraw/zinc/30/46/64/1189304664.db2.gz OMWOPXLVIYJEID-UHFFFAOYSA-N 2 2 312.442 3.489 20 0 DGADLP Cc1nc2ccccn2c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001560291999 1189305894 /nfs/dbraw/zinc/30/58/94/1189305894.db2.gz RZSASPPNUSKQKO-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC001560298921 1189308121 /nfs/dbraw/zinc/30/81/21/1189308121.db2.gz YLYQUSOWJNQFTF-IRXDYDNUSA-N 2 2 302.462 3.263 20 0 DGADLP Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560343862 1189315228 /nfs/dbraw/zinc/31/52/28/1189315228.db2.gz ABIPEFLVVHEYRW-LLVKDONJSA-N 2 2 316.430 3.259 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC001560364195 1189318333 /nfs/dbraw/zinc/31/83/33/1189318333.db2.gz WDXJMQQAAWAWQC-INIZCTEOSA-N 2 2 312.910 3.484 20 0 DGADLP CCn1c[nH+]cc1CN[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC001560620849 1189349884 /nfs/dbraw/zinc/34/98/84/1189349884.db2.gz MQXJJHQWCFWWNM-LJQANCHMSA-N 2 2 314.477 3.466 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(O)c(F)c2)[nH+]1 ZINC001560641823 1189354193 /nfs/dbraw/zinc/35/41/93/1189354193.db2.gz DJDUCNWAZOXZMS-HNNXBMFYSA-N 2 2 315.392 3.311 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(O)c(F)c2)[nH+]1 ZINC001560641823 1189354200 /nfs/dbraw/zinc/35/42/00/1189354200.db2.gz DJDUCNWAZOXZMS-HNNXBMFYSA-N 2 2 315.392 3.311 20 0 DGADLP CCNc1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001560748860 1189373575 /nfs/dbraw/zinc/37/35/75/1189373575.db2.gz HAWQNNKJCOWLSF-INIZCTEOSA-N 2 2 312.461 3.307 20 0 DGADLP CCNc1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001560748860 1189373581 /nfs/dbraw/zinc/37/35/81/1189373581.db2.gz HAWQNNKJCOWLSF-INIZCTEOSA-N 2 2 312.461 3.307 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944259 1189408360 /nfs/dbraw/zinc/40/83/60/1189408360.db2.gz CQLGKXDMRBSGNH-HZPDHXFCSA-N 2 2 312.498 3.208 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944259 1189408363 /nfs/dbraw/zinc/40/83/63/1189408363.db2.gz CQLGKXDMRBSGNH-HZPDHXFCSA-N 2 2 312.498 3.208 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(CF)cc1 ZINC001565777995 1189670068 /nfs/dbraw/zinc/67/00/68/1189670068.db2.gz GUZLJICBMGLPRH-UHFFFAOYSA-N 2 2 310.332 3.298 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001566475970 1189777903 /nfs/dbraw/zinc/77/79/03/1189777903.db2.gz WQTCIXUCIDJLTL-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001566475970 1189777905 /nfs/dbraw/zinc/77/79/05/1189777905.db2.gz WQTCIXUCIDJLTL-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC001575386568 1191477968 /nfs/dbraw/zinc/47/79/68/1191477968.db2.gz IQNVLZBIFIMHMR-UHFFFAOYSA-N 2 2 304.478 3.316 20 0 DGADLP CC(C)Cc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC001575648445 1191499740 /nfs/dbraw/zinc/49/97/40/1191499740.db2.gz LFAWYELDKUWZAX-MOPGFXCFSA-N 2 2 304.478 3.160 20 0 DGADLP CC(C)Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC001575648448 1191499851 /nfs/dbraw/zinc/49/98/51/1191499851.db2.gz LFAWYELDKUWZAX-RTBURBONSA-N 2 2 304.478 3.160 20 0 DGADLP CC1(C)C[C@]1([NH2+]Cc1nc2c(s1)C[NH2+]CC2)c1ccccc1 ZINC001576404637 1191592399 /nfs/dbraw/zinc/59/23/99/1191592399.db2.gz HRFUTNUIYALBSZ-SFHVURJKSA-N 2 2 313.470 3.204 20 0 DGADLP CC(C)(C)[C@@]1(C[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001621112812 1193766347 /nfs/dbraw/zinc/76/63/47/1193766347.db2.gz IQOATXFTJGQIIF-HXUWFJFHSA-N 2 2 316.489 3.257 20 0 DGADLP CC(C)(C)[C@@]1(C[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001621112812 1193766351 /nfs/dbraw/zinc/76/63/51/1193766351.db2.gz IQOATXFTJGQIIF-HXUWFJFHSA-N 2 2 316.489 3.257 20 0 DGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001620532403 1193776999 /nfs/dbraw/zinc/77/69/99/1193776999.db2.gz JOBNQHUWVXBGRA-IBGZPJMESA-N 2 2 307.397 3.423 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC001620691895 1193791883 /nfs/dbraw/zinc/79/18/83/1193791883.db2.gz GCYOODLROMOOGF-PMACEKPBSA-N 2 2 318.505 3.373 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC001620691895 1193791886 /nfs/dbraw/zinc/79/18/86/1193791886.db2.gz GCYOODLROMOOGF-PMACEKPBSA-N 2 2 318.505 3.373 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC001620729403 1193795533 /nfs/dbraw/zinc/79/55/33/1193795533.db2.gz MBEUNOKYSRFVFT-UHFFFAOYSA-N 2 2 324.472 3.496 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(F)ccc2C)cn1 ZINC001620732080 1193796124 /nfs/dbraw/zinc/79/61/24/1193796124.db2.gz UUPCBRWYYUDRFV-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP CCCn1c[nH+]cc1CN1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC001621434428 1193841815 /nfs/dbraw/zinc/84/18/15/1193841815.db2.gz VONPUHMZOQRWTG-KRWDZBQOSA-N 2 2 312.461 3.176 20 0 DGADLP COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1C ZINC001621457992 1193845288 /nfs/dbraw/zinc/84/52/88/1193845288.db2.gz TVGVANBIOVWLBF-MAUKXSAKSA-N 2 2 319.493 3.259 20 0 DGADLP COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1C ZINC001621457992 1193845291 /nfs/dbraw/zinc/84/52/91/1193845291.db2.gz TVGVANBIOVWLBF-MAUKXSAKSA-N 2 2 319.493 3.259 20 0 DGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001621552722 1193858095 /nfs/dbraw/zinc/85/80/95/1193858095.db2.gz SASJWFVEAPNNHW-RDJZCZTQSA-N 2 2 317.477 3.040 20 0 DGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001621552722 1193858097 /nfs/dbraw/zinc/85/80/97/1193858097.db2.gz SASJWFVEAPNNHW-RDJZCZTQSA-N 2 2 317.477 3.040 20 0 DGADLP CCCc1[nH]ccc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001628131262 1194162434 /nfs/dbraw/zinc/16/24/34/1194162434.db2.gz SUEGQVFTNGCTAA-UHFFFAOYSA-N 2 2 309.373 3.109 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc(CC)[nH+]1 ZINC001640177675 1194800284 /nfs/dbraw/zinc/80/02/84/1194800284.db2.gz FZTNBMUPGASCEB-HNNXBMFYSA-N 2 2 302.466 3.420 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)nc(CC)[nH+]1 ZINC001640177675 1194800286 /nfs/dbraw/zinc/80/02/86/1194800286.db2.gz FZTNBMUPGASCEB-HNNXBMFYSA-N 2 2 302.466 3.420 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381446 1195104580 /nfs/dbraw/zinc/10/45/80/1195104580.db2.gz CPRPWOWIUVDKHZ-QAETUUGQSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381446 1195104583 /nfs/dbraw/zinc/10/45/83/1195104583.db2.gz CPRPWOWIUVDKHZ-QAETUUGQSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381446 1195104585 /nfs/dbraw/zinc/10/45/85/1195104585.db2.gz CPRPWOWIUVDKHZ-QAETUUGQSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381446 1195104587 /nfs/dbraw/zinc/10/45/87/1195104587.db2.gz CPRPWOWIUVDKHZ-QAETUUGQSA-N 2 2 306.400 3.204 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001647929666 1195265606 /nfs/dbraw/zinc/26/56/06/1195265606.db2.gz LEAYHUONCZJZRH-OALUTQOASA-N 2 2 302.462 3.247 20 0 DGADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647756 1195318247 /nfs/dbraw/zinc/31/82/47/1195318247.db2.gz RESYFRUXASCSON-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647756 1195318251 /nfs/dbraw/zinc/31/82/51/1195318251.db2.gz RESYFRUXASCSON-HNNXBMFYSA-N 2 2 315.465 3.060 20 0 DGADLP CCOc1cc(F)cc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001650647020 1195368680 /nfs/dbraw/zinc/36/86/80/1195368680.db2.gz DPODBLJTVPTMSC-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001652177380 1195558162 /nfs/dbraw/zinc/55/81/62/1195558162.db2.gz YKGRVQTWEUEYQM-TZMCWYRMSA-N 2 2 324.415 3.413 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001652177380 1195558163 /nfs/dbraw/zinc/55/81/63/1195558163.db2.gz YKGRVQTWEUEYQM-TZMCWYRMSA-N 2 2 324.415 3.413 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C1 ZINC000066973303 1195578976 /nfs/dbraw/zinc/57/89/76/1195578976.db2.gz MKMXGZFARMKZFS-IYBDPMFKSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cc[nH]n2)C1 ZINC000066973303 1195578983 /nfs/dbraw/zinc/57/89/83/1195578983.db2.gz MKMXGZFARMKZFS-IYBDPMFKSA-N 2 2 312.461 3.177 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ncccc1F ZINC001652385431 1195590764 /nfs/dbraw/zinc/59/07/64/1195590764.db2.gz MLXJSROKDDISCJ-UHFFFAOYSA-N 2 2 301.409 3.304 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ncccc1F ZINC001652385431 1195590769 /nfs/dbraw/zinc/59/07/69/1195590769.db2.gz MLXJSROKDDISCJ-UHFFFAOYSA-N 2 2 301.409 3.304 20 0 DGADLP CCOc1ccc(Cl)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001652394654 1195592033 /nfs/dbraw/zinc/59/20/33/1195592033.db2.gz XFSVHVBUZYGBCI-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP CCOc1ccc(Cl)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001652394654 1195592037 /nfs/dbraw/zinc/59/20/37/1195592037.db2.gz XFSVHVBUZYGBCI-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000067505437 1195639787 /nfs/dbraw/zinc/63/97/87/1195639787.db2.gz ZVLPLGBMJQHJJB-UHFFFAOYSA-N 2 2 324.472 3.498 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000069159727 1195775638 /nfs/dbraw/zinc/77/56/38/1195775638.db2.gz LHBMYVJGMNXDNP-HUUCEWRRSA-N 2 2 306.475 3.134 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000069159727 1195775642 /nfs/dbraw/zinc/77/56/42/1195775642.db2.gz LHBMYVJGMNXDNP-HUUCEWRRSA-N 2 2 306.475 3.134 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000069159728 1195776298 /nfs/dbraw/zinc/77/62/98/1195776298.db2.gz LHBMYVJGMNXDNP-LSDHHAIUSA-N 2 2 306.475 3.134 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000069159728 1195776302 /nfs/dbraw/zinc/77/63/02/1195776302.db2.gz LHBMYVJGMNXDNP-LSDHHAIUSA-N 2 2 306.475 3.134 20 0 DGADLP CCc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001654867213 1195849290 /nfs/dbraw/zinc/84/92/90/1195849290.db2.gz QODQWRFHNJVLFZ-QGZVFWFLSA-N 2 2 312.461 3.186 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123958 1195879480 /nfs/dbraw/zinc/87/94/80/1195879480.db2.gz YUIREFLHPORCTL-CRAIPNDOSA-N 2 2 305.466 3.195 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001655239951 1195894648 /nfs/dbraw/zinc/89/46/48/1195894648.db2.gz YTAZFQDXCDJVTI-ROUUACIJSA-N 2 2 308.510 3.390 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001655396980 1195911902 /nfs/dbraw/zinc/91/19/02/1195911902.db2.gz ODLHGKHCITWJIG-IAGOWNOFSA-N 2 2 321.465 3.155 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001655967828 1195983393 /nfs/dbraw/zinc/98/33/93/1195983393.db2.gz LAQKMINRJJZDOE-UHFFFAOYSA-N 2 2 307.344 3.039 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001655972843 1195984451 /nfs/dbraw/zinc/98/44/51/1195984451.db2.gz IWXFWWLYMNXWLR-UHFFFAOYSA-N 2 2 309.335 3.456 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cccc3n[nH]cc32)c[nH+]1 ZINC001656204936 1196017270 /nfs/dbraw/zinc/01/72/70/1196017270.db2.gz GADYXNMZGBBAMK-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001656549724 1196049401 /nfs/dbraw/zinc/04/94/01/1196049401.db2.gz TUQQFOSBQNSXBU-UHFFFAOYSA-N 2 2 301.409 3.371 20 0 DGADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001656554357 1196050144 /nfs/dbraw/zinc/05/01/44/1196050144.db2.gz MZEMMEWQZQKAEO-QGZVFWFLSA-N 2 2 322.493 3.046 20 0 DGADLP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001656769435 1196070316 /nfs/dbraw/zinc/07/03/16/1196070316.db2.gz BGTOIYVOKYHTJF-DZGCQCFKSA-N 2 2 319.836 3.361 20 0 DGADLP CC[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001657282161 1196126862 /nfs/dbraw/zinc/12/68/62/1196126862.db2.gz BYWWXYKIOLEYDF-DLBZAZTESA-N 2 2 317.477 3.429 20 0 DGADLP CCOCCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001657627095 1196161292 /nfs/dbraw/zinc/16/12/92/1196161292.db2.gz IGRJAZVUZDKGGZ-UHFFFAOYSA-N 2 2 305.447 3.230 20 0 DGADLP CO[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC001657821843 1196180266 /nfs/dbraw/zinc/18/02/66/1196180266.db2.gz BLLQDXQBKNHBGD-GOSISDBHSA-N 2 2 304.478 3.302 20 0 DGADLP CO[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC001657821843 1196180268 /nfs/dbraw/zinc/18/02/68/1196180268.db2.gz BLLQDXQBKNHBGD-GOSISDBHSA-N 2 2 304.478 3.302 20 0 DGADLP c1cn2cc(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)sc2n1 ZINC001657876545 1196189828 /nfs/dbraw/zinc/18/98/28/1196189828.db2.gz HBBZXHOUAXRCAY-MRXNPFEDSA-N 2 2 323.425 3.123 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001657962360 1196197102 /nfs/dbraw/zinc/19/71/02/1196197102.db2.gz DHCUHVNUGNCMRE-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[N@H+]1Cc1ccccc1 ZINC001657962360 1196197103 /nfs/dbraw/zinc/19/71/03/1196197103.db2.gz DHCUHVNUGNCMRE-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001658012134 1196201694 /nfs/dbraw/zinc/20/16/94/1196201694.db2.gz LHOWZKFADVVYQL-HXUWFJFHSA-N 2 2 316.489 3.281 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001658012134 1196201695 /nfs/dbraw/zinc/20/16/95/1196201695.db2.gz LHOWZKFADVVYQL-HXUWFJFHSA-N 2 2 316.489 3.281 20 0 DGADLP Clc1cncc(Cl)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001658102881 1196212156 /nfs/dbraw/zinc/21/21/56/1196212156.db2.gz YLEOJJWDJQZZCH-UHFFFAOYSA-N 2 2 307.184 3.326 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001658174374 1196221341 /nfs/dbraw/zinc/22/13/41/1196221341.db2.gz CZMLZURHIZNCMW-MELADBBJSA-N 2 2 317.458 3.141 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001658174374 1196221343 /nfs/dbraw/zinc/22/13/43/1196221343.db2.gz CZMLZURHIZNCMW-MELADBBJSA-N 2 2 317.458 3.141 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001659414617 1196380881 /nfs/dbraw/zinc/38/08/81/1196380881.db2.gz LRCSQPQHKZGSMS-LBPRGKRZSA-N 2 2 322.815 3.062 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001659414617 1196380885 /nfs/dbraw/zinc/38/08/85/1196380885.db2.gz LRCSQPQHKZGSMS-LBPRGKRZSA-N 2 2 322.815 3.062 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC001660007734 1196437152 /nfs/dbraw/zinc/43/71/52/1196437152.db2.gz UYGZVTPCGAATBV-NZSAHSFTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC001660007734 1196437154 /nfs/dbraw/zinc/43/71/54/1196437154.db2.gz UYGZVTPCGAATBV-NZSAHSFTSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)c1 ZINC001660193567 1196455454 /nfs/dbraw/zinc/45/54/54/1196455454.db2.gz ICSUYUJHGYZBPA-MRXNPFEDSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)c1 ZINC001660193567 1196455455 /nfs/dbraw/zinc/45/54/55/1196455455.db2.gz ICSUYUJHGYZBPA-MRXNPFEDSA-N 2 2 317.477 3.034 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc(F)ccc1F ZINC001660233748 1196460012 /nfs/dbraw/zinc/46/00/12/1196460012.db2.gz MXHVZJOZLUSGEV-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc(F)ccc1F ZINC001660233748 1196460017 /nfs/dbraw/zinc/46/00/17/1196460017.db2.gz MXHVZJOZLUSGEV-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660361018 1196475497 /nfs/dbraw/zinc/47/54/97/1196475497.db2.gz ILQFVCDYBWSIDU-KSSFIOAISA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001660361018 1196475499 /nfs/dbraw/zinc/47/54/99/1196475499.db2.gz ILQFVCDYBWSIDU-KSSFIOAISA-N 2 2 308.441 3.387 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC001660672032 1196510831 /nfs/dbraw/zinc/51/08/31/1196510831.db2.gz OFCAIMMHOVHTKC-UHFFFAOYSA-N 2 2 324.350 3.214 20 0 DGADLP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678387 1196511370 /nfs/dbraw/zinc/51/13/70/1196511370.db2.gz WXOKQRLDNYHLNS-BZUAXINKSA-N 2 2 305.466 3.385 20 0 DGADLP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678387 1196511374 /nfs/dbraw/zinc/51/13/74/1196511374.db2.gz WXOKQRLDNYHLNS-BZUAXINKSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001660748523 1196518786 /nfs/dbraw/zinc/51/87/86/1196518786.db2.gz JCQRDVHLLDHQAH-FUHWJXTLSA-N 2 2 307.526 3.103 20 0 DGADLP C[C@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001660748523 1196518788 /nfs/dbraw/zinc/51/87/88/1196518788.db2.gz JCQRDVHLLDHQAH-FUHWJXTLSA-N 2 2 307.526 3.103 20 0 DGADLP Fc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001660773095 1196522474 /nfs/dbraw/zinc/52/24/74/1196522474.db2.gz NBSCOVMBDAPZDA-UHFFFAOYSA-N 2 2 301.390 3.405 20 0 DGADLP CCCCOc1ccccc1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC001661145149 1196572779 /nfs/dbraw/zinc/57/27/79/1196572779.db2.gz CEYPASBWSRISCK-UHFFFAOYSA-N 2 2 320.477 3.066 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001661411995 1196603441 /nfs/dbraw/zinc/60/34/41/1196603441.db2.gz VFXXZBQIPLSYLG-CEXWTWQISA-N 2 2 308.510 3.436 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001661411995 1196603443 /nfs/dbraw/zinc/60/34/43/1196603443.db2.gz VFXXZBQIPLSYLG-CEXWTWQISA-N 2 2 308.510 3.436 20 0 DGADLP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001662659972 1196737420 /nfs/dbraw/zinc/73/74/20/1196737420.db2.gz IBLXZVQZNJUIJT-QGZVFWFLSA-N 2 2 317.477 3.249 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccccc1OCC(F)(F)F)[NH+](C)C ZINC001662966582 1196778007 /nfs/dbraw/zinc/77/80/07/1196778007.db2.gz OQUSFELLENGNBJ-GFCCVEGCSA-N 2 2 304.356 3.058 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001663099710 1196792329 /nfs/dbraw/zinc/79/23/29/1196792329.db2.gz BHOUQBIEVDDVOT-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001663099710 1196792331 /nfs/dbraw/zinc/79/23/31/1196792331.db2.gz BHOUQBIEVDDVOT-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc(OC)c1 ZINC000079000673 1196845983 /nfs/dbraw/zinc/84/59/83/1196845983.db2.gz AFSMWSNZCXJZKQ-QGZVFWFLSA-N 2 2 317.433 3.105 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001663718622 1196933850 /nfs/dbraw/zinc/93/38/50/1196933850.db2.gz ZVLKRNLYSIJUQD-QZTJIDSGSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001663718622 1196933852 /nfs/dbraw/zinc/93/38/52/1196933852.db2.gz ZVLKRNLYSIJUQD-QZTJIDSGSA-N 2 2 318.509 3.380 20 0 DGADLP Cc1ccncc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001665601150 1197156611 /nfs/dbraw/zinc/15/66/11/1197156611.db2.gz ULABKVGXRPDIIC-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001665601150 1197156613 /nfs/dbraw/zinc/15/66/13/1197156613.db2.gz ULABKVGXRPDIIC-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001665601150 1197156615 /nfs/dbraw/zinc/15/66/15/1197156615.db2.gz ULABKVGXRPDIIC-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001665601150 1197156619 /nfs/dbraw/zinc/15/66/19/1197156619.db2.gz ULABKVGXRPDIIC-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001665712522 1197179497 /nfs/dbraw/zinc/17/94/97/1197179497.db2.gz QJIFFHAXGYLCHA-JXFKEZNVSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C2CCCC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001665712522 1197179498 /nfs/dbraw/zinc/17/94/98/1197179498.db2.gz QJIFFHAXGYLCHA-JXFKEZNVSA-N 2 2 315.505 3.068 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879914 1197210846 /nfs/dbraw/zinc/21/08/46/1197210846.db2.gz HMGJUHRMMBNKBH-IRXDYDNUSA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879914 1197210847 /nfs/dbraw/zinc/21/08/47/1197210847.db2.gz HMGJUHRMMBNKBH-IRXDYDNUSA-N 2 2 308.510 3.436 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c(C)[nH+]1 ZINC001672021649 1197590302 /nfs/dbraw/zinc/59/03/02/1197590302.db2.gz YNYQVOMJMUZJIF-LSDHHAIUSA-N 2 2 304.438 3.001 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194841 1197692600 /nfs/dbraw/zinc/69/26/00/1197692600.db2.gz RTJQOKHUSQXVPE-KBXCAEBGSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194841 1197692602 /nfs/dbraw/zinc/69/26/02/1197692602.db2.gz RTJQOKHUSQXVPE-KBXCAEBGSA-N 2 2 315.392 3.042 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000381021091 1197705504 /nfs/dbraw/zinc/70/55/04/1197705504.db2.gz WIIZLOBMYMQUQH-KRWDZBQOSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000381021091 1197705505 /nfs/dbraw/zinc/70/55/05/1197705505.db2.gz WIIZLOBMYMQUQH-KRWDZBQOSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC(C)(C)C[NH2+]CC(C)C)c(C)[nH+]1 ZINC001674848350 1197890811 /nfs/dbraw/zinc/89/08/11/1197890811.db2.gz RSNOSCMLCDISLK-UHFFFAOYSA-N 2 2 319.493 3.351 20 0 DGADLP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732141 1199708880 /nfs/dbraw/zinc/70/88/80/1199708880.db2.gz NWTBVGVEEXINAE-SFTDATJTSA-N 2 2 323.484 3.153 20 0 DGADLP C[NH+](C)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732141 1199708884 /nfs/dbraw/zinc/70/88/84/1199708884.db2.gz NWTBVGVEEXINAE-SFTDATJTSA-N 2 2 323.484 3.153 20 0 DGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000120976508 1200187171 /nfs/dbraw/zinc/18/71/71/1200187171.db2.gz RFNLBJLAMLAPRP-UHFFFAOYSA-N 2 2 308.853 3.313 20 0 DGADLP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318807 1200204792 /nfs/dbraw/zinc/20/47/92/1200204792.db2.gz ONAUDUFFCXVSTN-WFASDCNBSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754318807 1200204796 /nfs/dbraw/zinc/20/47/96/1200204796.db2.gz ONAUDUFFCXVSTN-WFASDCNBSA-N 2 2 305.466 3.103 20 0 DGADLP CCCOc1ncccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000122063794 1200262312 /nfs/dbraw/zinc/26/23/12/1200262312.db2.gz RWBAQTKYXZENAL-UHFFFAOYSA-N 2 2 322.412 3.346 20 0 DGADLP Cc1nc(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000123448935 1200280006 /nfs/dbraw/zinc/28/00/06/1200280006.db2.gz MPMYCPPJXNHCEB-UHFFFAOYSA-N 2 2 316.405 3.375 20 0 DGADLP CCC[C@@H](CC)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000125296939 1200379804 /nfs/dbraw/zinc/37/98/04/1200379804.db2.gz FSYUAWBDAZUKRH-GOSISDBHSA-N 2 2 320.477 3.066 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000125449367 1200397048 /nfs/dbraw/zinc/39/70/48/1200397048.db2.gz IYAGHJYQGKGDDK-MRXNPFEDSA-N 2 2 319.468 3.247 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000125449367 1200397055 /nfs/dbraw/zinc/39/70/55/1200397055.db2.gz IYAGHJYQGKGDDK-MRXNPFEDSA-N 2 2 319.468 3.247 20 0 DGADLP C[C@H]1CC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000126602407 1200581941 /nfs/dbraw/zinc/58/19/41/1200581941.db2.gz RLVNHUKHFXVRSO-BXWFABGCSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]1CC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000126602407 1200581945 /nfs/dbraw/zinc/58/19/45/1200581945.db2.gz RLVNHUKHFXVRSO-BXWFABGCSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000128396162 1200770447 /nfs/dbraw/zinc/77/04/47/1200770447.db2.gz ZSBQJKABGSWCEX-CYBMUJFWSA-N 2 2 310.401 3.370 20 0 DGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC001752883880 1201993231 /nfs/dbraw/zinc/99/32/31/1201993231.db2.gz MOOABIZUEQOFSS-KGLIPLIRSA-N 2 2 322.412 3.032 20 0 DGADLP CCOC(=O)CC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000137921085 1202226017 /nfs/dbraw/zinc/22/60/17/1202226017.db2.gz MDHYZWKYCGNKQM-WMZOPIPTSA-N 2 2 318.461 3.145 20 0 DGADLP CC/C=C\CC[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753481880 1202271076 /nfs/dbraw/zinc/27/10/76/1202271076.db2.gz AHPSAIMQWHQEIO-JJEJIETFSA-N 2 2 317.477 3.461 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154651735 1202597751 /nfs/dbraw/zinc/59/77/51/1202597751.db2.gz XBXZZXMHYBUYBH-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154651735 1202597752 /nfs/dbraw/zinc/59/77/52/1202597752.db2.gz XBXZZXMHYBUYBH-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)c(C)[nH+]1 ZINC001713148772 1202622058 /nfs/dbraw/zinc/62/20/58/1202622058.db2.gz MHVVIYXJGCRTME-INIZCTEOSA-N 2 2 317.477 3.247 20 0 DGADLP CC[NH+](CC)[C@H](CNCc1c[nH+]c2c(C)cccn12)CC(C)C ZINC000236897790 1202633396 /nfs/dbraw/zinc/63/33/96/1202633396.db2.gz DGRICPAXLBDNHY-KRWDZBQOSA-N 2 2 316.493 3.489 20 0 DGADLP CCC/C=C/CC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714255805 1202849100 /nfs/dbraw/zinc/84/91/00/1202849100.db2.gz FECLYTLMUFLBLL-FDMDGMSGSA-N 2 2 317.477 3.461 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001714697516 1203103331 /nfs/dbraw/zinc/10/33/31/1203103331.db2.gz APKGNBUWOUEJFS-INIZCTEOSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(C)C)c(C)[nH+]1 ZINC001716065080 1203438164 /nfs/dbraw/zinc/43/81/64/1203438164.db2.gz IZXMFIPKEIFHRF-DLBZAZTESA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC(C)(C)C[NH2+]CC2CC2)c(C)[nH+]1 ZINC001717455206 1203648257 /nfs/dbraw/zinc/64/82/57/1203648257.db2.gz BOWPPPCRTCMCPL-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]c2ccccc12 ZINC000247849600 1203783610 /nfs/dbraw/zinc/78/36/10/1203783610.db2.gz ULVZKZJNXGTKDF-IYBDPMFKSA-N 2 2 313.445 3.454 20 0 DGADLP Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]c2ccccc12 ZINC000247849600 1203783611 /nfs/dbraw/zinc/78/36/11/1203783611.db2.gz ULVZKZJNXGTKDF-IYBDPMFKSA-N 2 2 313.445 3.454 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725104143 1204095054 /nfs/dbraw/zinc/09/50/54/1204095054.db2.gz OKRXTESOKKMRGH-CABCVRRESA-N 2 2 303.450 3.069 20 0 DGADLP CCC[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001725748898 1204210990 /nfs/dbraw/zinc/21/09/90/1204210990.db2.gz YFKBMYCAKFYOEA-CVEARBPZSA-N 2 2 322.497 3.001 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731605140 1204479464 /nfs/dbraw/zinc/47/94/64/1204479464.db2.gz AJJKCBPKSBPBDX-MVGZEHJDSA-N 2 2 303.450 3.071 20 0 DGADLP CCC/C=C\CC[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001731938243 1204631507 /nfs/dbraw/zinc/63/15/07/1204631507.db2.gz UKECVSIYOLRXLR-HJWRWDBZSA-N 2 2 317.477 3.415 20 0 DGADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001733000942 1204977838 /nfs/dbraw/zinc/97/78/38/1204977838.db2.gz NLINZNQIXVPHEB-HOTGVXAUSA-N 2 2 322.497 3.001 20 0 DGADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001733000943 1204978198 /nfs/dbraw/zinc/97/81/98/1204978198.db2.gz NLINZNQIXVPHEB-JKSUJKDBSA-N 2 2 322.497 3.001 20 0 DGADLP CCCCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001733176884 1205034468 /nfs/dbraw/zinc/03/44/68/1205034468.db2.gz FHFQUDDASSJDDM-KRWDZBQOSA-N 2 2 317.477 3.295 20 0 DGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001733553158 1205161005 /nfs/dbraw/zinc/16/10/05/1205161005.db2.gz VEQIDIJJYMEHCL-YOEHRIQHSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c2c([nH+]1)CCC2 ZINC001165048797 721974197 /nfs/dbraw/zinc/97/41/97/721974197.db2.gz LFYBGBRACAHKNM-MRXNPFEDSA-N 2 2 314.477 3.119 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)C[C@H]2C1 ZINC001209115223 1081689728 /nfs/dbraw/zinc/68/97/28/1081689728.db2.gz LZJMCYOCAUIXII-HUUCEWRRSA-N 2 2 310.844 3.295 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169977527 1081760899 /nfs/dbraw/zinc/76/08/99/1081760899.db2.gz OTFLOPUMOKSQKC-HNNXBMFYSA-N 2 2 311.514 3.107 20 0 DGADLP COCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC001648848567 1081941284 /nfs/dbraw/zinc/94/12/84/1081941284.db2.gz RFHDMIVIJMCMFU-UHFFFAOYSA-N 2 2 322.412 3.012 20 0 DGADLP COc1cc(Nc2ccc(OCCC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC001210780052 1082022074 /nfs/dbraw/zinc/02/20/74/1082022074.db2.gz DUKVQRLYVXOJLV-UHFFFAOYSA-N 2 2 315.417 3.473 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170126470 1082133163 /nfs/dbraw/zinc/13/31/63/1082133163.db2.gz ZANAELGUXRTFOC-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170126470 1082133168 /nfs/dbraw/zinc/13/31/68/1082133168.db2.gz ZANAELGUXRTFOC-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP COCC[N@H+]([C@@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170284431 1082341715 /nfs/dbraw/zinc/34/17/15/1082341715.db2.gz NFGWLPDMCVXTBV-HNNXBMFYSA-N 2 2 324.896 3.314 20 0 DGADLP COCC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170284431 1082341720 /nfs/dbraw/zinc/34/17/20/1082341720.db2.gz NFGWLPDMCVXTBV-HNNXBMFYSA-N 2 2 324.896 3.314 20 0 DGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482361 1082556749 /nfs/dbraw/zinc/55/67/49/1082556749.db2.gz CLMORALQPFCRTK-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP CSc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158259720 1082649284 /nfs/dbraw/zinc/64/92/84/1082649284.db2.gz ROLIDWJSHZAVCL-MLGOLLRUSA-N 2 2 308.495 3.463 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207399808 1082925624 /nfs/dbraw/zinc/92/56/24/1082925624.db2.gz UKZKLQXMVQDFLF-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207399808 1082925628 /nfs/dbraw/zinc/92/56/28/1082925628.db2.gz UKZKLQXMVQDFLF-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP CCC[N@H+](C)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001267740146 1083304293 /nfs/dbraw/zinc/30/42/93/1083304293.db2.gz VKHVQLPKMKZKKL-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP CCC[N@@H+](C)CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001267740146 1083304296 /nfs/dbraw/zinc/30/42/96/1083304296.db2.gz VKHVQLPKMKZKKL-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP c1ccc(CC2CC[NH+](CC[NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC001170770611 1083329384 /nfs/dbraw/zinc/32/93/84/1083329384.db2.gz HFBNLARIFJAUTG-HXUWFJFHSA-N 2 2 316.489 3.100 20 0 DGADLP COC1CC(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC001181534166 1083484273 /nfs/dbraw/zinc/48/42/73/1083484273.db2.gz GJJXZPNXTRAMIE-RYTUYPIVSA-N 2 2 311.429 3.126 20 0 DGADLP C[NH+]1CCC(CC[N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001207487498 1083545369 /nfs/dbraw/zinc/54/53/69/1083545369.db2.gz LGNQDXLHWKLZBL-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(CC[N@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001207487498 1083545379 /nfs/dbraw/zinc/54/53/79/1083545379.db2.gz LGNQDXLHWKLZBL-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC001182546001 1083750905 /nfs/dbraw/zinc/75/09/05/1083750905.db2.gz YSLNSCOZBUYWCH-LSDHHAIUSA-N 2 2 306.475 3.004 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC001182546001 1083750915 /nfs/dbraw/zinc/75/09/15/1083750915.db2.gz YSLNSCOZBUYWCH-LSDHHAIUSA-N 2 2 306.475 3.004 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC001182545999 1083751012 /nfs/dbraw/zinc/75/10/12/1083751012.db2.gz YSLNSCOZBUYWCH-HUUCEWRRSA-N 2 2 306.475 3.004 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC001182545999 1083751023 /nfs/dbraw/zinc/75/10/23/1083751023.db2.gz YSLNSCOZBUYWCH-HUUCEWRRSA-N 2 2 306.475 3.004 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1OC ZINC001205274017 1083965462 /nfs/dbraw/zinc/96/54/62/1083965462.db2.gz RTHLIXQDONPXGQ-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)c1OC ZINC001205274017 1083965471 /nfs/dbraw/zinc/96/54/71/1083965471.db2.gz RTHLIXQDONPXGQ-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274364 1083974049 /nfs/dbraw/zinc/97/40/49/1083974049.db2.gz WBCBHAFPFLOZRK-OAHLLOKOSA-N 2 2 316.367 3.417 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205274364 1083974056 /nfs/dbraw/zinc/97/40/56/1083974056.db2.gz WBCBHAFPFLOZRK-OAHLLOKOSA-N 2 2 316.367 3.417 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCC2CSC2)C[N@@H+]1Cc1ccccc1 ZINC001184389562 1084170365 /nfs/dbraw/zinc/17/03/65/1084170365.db2.gz YBFJHKNDCZZCQR-MAUKXSAKSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCC2CSC2)C[N@H+]1Cc1ccccc1 ZINC001184389562 1084170371 /nfs/dbraw/zinc/17/03/71/1084170371.db2.gz YBFJHKNDCZZCQR-MAUKXSAKSA-N 2 2 304.503 3.382 20 0 DGADLP CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCCC1 ZINC001268120985 1084202668 /nfs/dbraw/zinc/20/26/68/1084202668.db2.gz YILQDKAKOWWLJX-KRWDZBQOSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001205331489 1084466810 /nfs/dbraw/zinc/46/68/10/1084466810.db2.gz GPNSRHLZBCTKPJ-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc(OC(F)(F)F)c1 ZINC001205331489 1084466817 /nfs/dbraw/zinc/46/68/17/1084466817.db2.gz GPNSRHLZBCTKPJ-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709868230 1084585162 /nfs/dbraw/zinc/58/51/62/1084585162.db2.gz NINABPPVDZSOCP-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709868230 1084585172 /nfs/dbraw/zinc/58/51/72/1084585172.db2.gz NINABPPVDZSOCP-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268650974 1084916720 /nfs/dbraw/zinc/91/67/20/1084916720.db2.gz GGKSGPTYEILJOQ-ZIAGYGMSSA-N 2 2 322.412 3.032 20 0 DGADLP F[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCC1(F)F ZINC001167982871 1085936364 /nfs/dbraw/zinc/93/63/64/1085936364.db2.gz CYTZVGOLAPMAAW-QXULXFAOSA-N 2 2 316.411 3.461 20 0 DGADLP F[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCC1(F)F ZINC001167982871 1085936377 /nfs/dbraw/zinc/93/63/77/1085936377.db2.gz CYTZVGOLAPMAAW-QXULXFAOSA-N 2 2 316.411 3.461 20 0 DGADLP F[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1(F)F ZINC001167982871 1085936388 /nfs/dbraw/zinc/93/63/88/1085936388.db2.gz CYTZVGOLAPMAAW-QXULXFAOSA-N 2 2 316.411 3.461 20 0 DGADLP F[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1(F)F ZINC001167982871 1085936401 /nfs/dbraw/zinc/93/64/01/1085936401.db2.gz CYTZVGOLAPMAAW-QXULXFAOSA-N 2 2 316.411 3.461 20 0 DGADLP C[N@H+](Cc1cnc2ccccn12)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167983354 1085938318 /nfs/dbraw/zinc/93/83/18/1085938318.db2.gz GMSKWCOFWSSPMX-JWTNVVGKSA-N 2 2 324.472 3.172 20 0 DGADLP C[N@@H+](Cc1cnc2ccccn12)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167983354 1085938323 /nfs/dbraw/zinc/93/83/23/1085938323.db2.gz GMSKWCOFWSSPMX-JWTNVVGKSA-N 2 2 324.472 3.172 20 0 DGADLP C[NH+](Cc1cnc2ccccn12)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167983354 1085938332 /nfs/dbraw/zinc/93/83/32/1085938332.db2.gz GMSKWCOFWSSPMX-JWTNVVGKSA-N 2 2 324.472 3.172 20 0 DGADLP C[NH+](Cc1cnc2ccccn12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167983354 1085938341 /nfs/dbraw/zinc/93/83/41/1085938341.db2.gz GMSKWCOFWSSPMX-JWTNVVGKSA-N 2 2 324.472 3.172 20 0 DGADLP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001168008595 1086173532 /nfs/dbraw/zinc/17/35/32/1086173532.db2.gz KIGXCYSYOKOGRA-SFHVURJKSA-N 2 2 310.445 3.478 20 0 DGADLP Cc1cc(C)nc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001168008595 1086173536 /nfs/dbraw/zinc/17/35/36/1086173536.db2.gz KIGXCYSYOKOGRA-SFHVURJKSA-N 2 2 310.445 3.478 20 0 DGADLP Cc1ncc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168016335 1086303729 /nfs/dbraw/zinc/30/37/29/1086303729.db2.gz VDCOKRLBTHOADB-HZPDHXFCSA-N 2 2 324.472 3.316 20 0 DGADLP CO[C@@H]1C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001168041068 1086504789 /nfs/dbraw/zinc/50/47/89/1086504789.db2.gz QLSRGDPXNUBOGO-VVWQDTPRSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@@H]1C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001168041068 1086504798 /nfs/dbraw/zinc/50/47/98/1086504798.db2.gz QLSRGDPXNUBOGO-VVWQDTPRSA-N 2 2 320.452 3.097 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)s2)cc1 ZINC001204783081 1086635177 /nfs/dbraw/zinc/63/51/77/1086635177.db2.gz OCVXORNAHORCGH-KRWDZBQOSA-N 2 2 302.443 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)s2)cc1 ZINC001204783081 1086635182 /nfs/dbraw/zinc/63/51/82/1086635182.db2.gz OCVXORNAHORCGH-KRWDZBQOSA-N 2 2 302.443 3.347 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccncn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168066643 1086686338 /nfs/dbraw/zinc/68/63/38/1086686338.db2.gz QRQBBTSVHWKOFJ-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccncn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168066643 1086686343 /nfs/dbraw/zinc/68/63/43/1086686343.db2.gz QRQBBTSVHWKOFJ-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccncn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168066643 1086686344 /nfs/dbraw/zinc/68/63/44/1086686344.db2.gz QRQBBTSVHWKOFJ-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccncn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168066643 1086686345 /nfs/dbraw/zinc/68/63/45/1086686345.db2.gz QRQBBTSVHWKOFJ-XEMDLRDOSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001168101239 1086883617 /nfs/dbraw/zinc/88/36/17/1086883617.db2.gz HYHJQTQYWRMLOM-LTNXSAHHSA-N 2 2 320.521 3.290 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000093564134 1087139606 /nfs/dbraw/zinc/13/96/06/1087139606.db2.gz OWPSGJJVSDMZNN-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000093564134 1087139610 /nfs/dbraw/zinc/13/96/10/1087139610.db2.gz OWPSGJJVSDMZNN-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP CC(C)([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Cl)ccn1 ZINC001168370586 1087441158 /nfs/dbraw/zinc/44/11/58/1087441158.db2.gz BIZOPJDKIWHVJT-UHFFFAOYSA-N 2 2 307.869 3.434 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001168403619 1087564400 /nfs/dbraw/zinc/56/44/00/1087564400.db2.gz IZPRGFAACJKEIA-OAQYLSRUSA-N 2 2 324.443 3.405 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001168469617 1087937594 /nfs/dbraw/zinc/93/75/94/1087937594.db2.gz UKGUKQUKVLBZDS-HNNXBMFYSA-N 2 2 313.420 3.102 20 0 DGADLP Cc1ccc2c(Nc3ccc(N4CC[NH2+]CC4)nc3)cccc2[nH+]1 ZINC001159164945 1088216287 /nfs/dbraw/zinc/21/62/87/1088216287.db2.gz STCIZPZWMSJEOM-UHFFFAOYSA-N 2 2 319.412 3.091 20 0 DGADLP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930536 1088410540 /nfs/dbraw/zinc/41/05/40/1088410540.db2.gz ORXCSAHDFRBWAL-SJORKVTESA-N 2 2 322.497 3.097 20 0 DGADLP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930536 1088410552 /nfs/dbraw/zinc/41/05/52/1088410552.db2.gz ORXCSAHDFRBWAL-SJORKVTESA-N 2 2 322.497 3.097 20 0 DGADLP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403153 1088597041 /nfs/dbraw/zinc/59/70/41/1088597041.db2.gz DDGMZSOEUFADFH-XJKSGUPXSA-N 2 2 319.493 3.493 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403153 1088597057 /nfs/dbraw/zinc/59/70/57/1088597057.db2.gz DDGMZSOEUFADFH-XJKSGUPXSA-N 2 2 319.493 3.493 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1F)C1(C)CC[NH2+]CC1 ZINC001236223139 1088733409 /nfs/dbraw/zinc/73/34/09/1088733409.db2.gz LLFFWTCAMPBYJR-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1F)C1(C)CC[NH2+]CC1 ZINC001236223139 1088733429 /nfs/dbraw/zinc/73/34/29/1088733429.db2.gz LLFFWTCAMPBYJR-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC001155023885 1088900360 /nfs/dbraw/zinc/90/03/60/1088900360.db2.gz FYSFRCMFZRKSFJ-STQMWFEESA-N 2 2 309.417 3.159 20 0 DGADLP C[C@H]1CCCC[C@H]1CNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001155077043 1088932562 /nfs/dbraw/zinc/93/25/62/1088932562.db2.gz KNCCDKLIKCSUOJ-HOTGVXAUSA-N 2 2 302.466 3.072 20 0 DGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521240 1089144228 /nfs/dbraw/zinc/14/42/28/1089144228.db2.gz IDOFCBWTOSFEMI-IAGOWNOFSA-N 2 2 322.497 3.097 20 0 DGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521240 1089144233 /nfs/dbraw/zinc/14/42/33/1089144233.db2.gz IDOFCBWTOSFEMI-IAGOWNOFSA-N 2 2 322.497 3.097 20 0 DGADLP COc1ccc(C)[nH+]c1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161233548 1089163955 /nfs/dbraw/zinc/16/39/55/1089163955.db2.gz VFMACJINPTUBBA-UHFFFAOYSA-N 2 2 303.450 3.323 20 0 DGADLP Cc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)nc(C(C)(C)C)[nH+]1 ZINC001155565424 1089166145 /nfs/dbraw/zinc/16/61/45/1089166145.db2.gz OFKMBTJDYHUJEZ-GFCCVEGCSA-N 2 2 302.447 3.400 20 0 DGADLP Cc1ccccc1CC(C)(C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001161450514 1089250467 /nfs/dbraw/zinc/25/04/67/1089250467.db2.gz BVLXFAAMGVSHPJ-UHFFFAOYSA-N 2 2 324.472 3.233 20 0 DGADLP CCCc1cc(NCC2C[NH+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001156399054 1089504155 /nfs/dbraw/zinc/50/41/55/1089504155.db2.gz OPUBDSZJHYGURL-UHFFFAOYSA-N 2 2 310.445 3.281 20 0 DGADLP CC(=O)Nc1c(C)cc[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001156928916 1089750833 /nfs/dbraw/zinc/75/08/33/1089750833.db2.gz QXCHSTCCSVAOOJ-AWEZNQCLSA-N 2 2 304.438 3.025 20 0 DGADLP CC(=O)Nc1c(C)cc[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001156928916 1089750844 /nfs/dbraw/zinc/75/08/44/1089750844.db2.gz QXCHSTCCSVAOOJ-AWEZNQCLSA-N 2 2 304.438 3.025 20 0 DGADLP F[C@@]1(CNc2cc3c4c(c2)CCC[NH+]4CCC3)CCCC[NH2+]C1 ZINC001162582451 1089808928 /nfs/dbraw/zinc/80/89/28/1089808928.db2.gz CFUWHRZGHYTMGK-IBGZPJMESA-N 2 2 317.452 3.279 20 0 DGADLP c1ccn(-c2ccc[nH+]c2NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162803574 1089963970 /nfs/dbraw/zinc/96/39/70/1089963970.db2.gz ZQNNAPCUGRIQIU-UHFFFAOYSA-N 2 2 304.397 3.130 20 0 DGADLP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c(N3CCCC3)n2)c1 ZINC001162903993 1090016496 /nfs/dbraw/zinc/01/64/96/1090016496.db2.gz SLEMGOVBWUQNBD-CYBMUJFWSA-N 2 2 307.401 3.040 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(NCC[C@H]2CCOC23C[NH2+]C3)c1 ZINC001163095492 1090075411 /nfs/dbraw/zinc/07/54/11/1090075411.db2.gz IHBVRNMSHIBTLI-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001485335660 1090108119 /nfs/dbraw/zinc/10/81/19/1090108119.db2.gz WRARPXYTXAAHSH-VXKCQOAXSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001485335660 1090108127 /nfs/dbraw/zinc/10/81/27/1090108127.db2.gz WRARPXYTXAAHSH-VXKCQOAXSA-N 2 2 317.477 3.103 20 0 DGADLP c1[nH+]c2cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc2n1-c1ccccc1 ZINC001163262828 1090133344 /nfs/dbraw/zinc/13/33/44/1090133344.db2.gz KLZMEQKNDGYASC-JLSDUUJJSA-N 2 2 318.424 3.435 20 0 DGADLP c1ccc(-c2ccc[nH+]c2NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001163271114 1090135912 /nfs/dbraw/zinc/13/59/12/1090135912.db2.gz PKFSYYSMWNVMFO-UZLBHIALSA-N 2 2 323.440 3.319 20 0 DGADLP c1ccc(COc2cc[nH+]c(N[C@H]3C[NH+]4CCC3CC4)c2)cc1 ZINC001163385609 1090171784 /nfs/dbraw/zinc/17/17/84/1090171784.db2.gz FALNUJXONSKPHY-SFHVURJKSA-N 2 2 309.413 3.167 20 0 DGADLP C[C@H]1CN(c2[nH+]c(N3CCCC3)cc3ccccc32)C[C@H](C)[NH2+]1 ZINC001158185981 1090198610 /nfs/dbraw/zinc/19/86/10/1090198610.db2.gz OONGXDGUAFAWET-GJZGRUSLSA-N 2 2 310.445 3.022 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2cc(Br)ccc2c1 ZINC001236899605 1090204044 /nfs/dbraw/zinc/20/40/44/1090204044.db2.gz MZFWSHBNSOALFL-NSHDSACASA-N 2 2 307.235 3.381 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cc(Br)ccc2c1 ZINC001236899605 1090204051 /nfs/dbraw/zinc/20/40/51/1090204051.db2.gz MZFWSHBNSOALFL-NSHDSACASA-N 2 2 307.235 3.381 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001163672956 1090228847 /nfs/dbraw/zinc/22/88/47/1090228847.db2.gz QWSSKDWEQQMOLJ-SFHVURJKSA-N 2 2 311.429 3.362 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001163672956 1090228851 /nfs/dbraw/zinc/22/88/51/1090228851.db2.gz QWSSKDWEQQMOLJ-SFHVURJKSA-N 2 2 311.429 3.362 20 0 DGADLP Cc1[nH+]ccn1CCNc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001163929042 1090289719 /nfs/dbraw/zinc/28/97/19/1090289719.db2.gz PNPIODARRGDPTL-UHFFFAOYSA-N 2 2 310.323 3.293 20 0 DGADLP CCCN(CCC)c1cc(N(C)C2CC[NH+](CC)CC2)nc[nH+]1 ZINC001165068493 1090459347 /nfs/dbraw/zinc/45/93/47/1090459347.db2.gz RWQUXXSAZGAAHL-UHFFFAOYSA-N 2 2 319.497 3.024 20 0 DGADLP [NH3+]CC[C@H]1CN(c2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC001168549463 1090534477 /nfs/dbraw/zinc/53/44/77/1090534477.db2.gz NLODKVMRCVCHGK-HNNXBMFYSA-N 2 2 308.429 3.266 20 0 DGADLP CC[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272919881 1090684741 /nfs/dbraw/zinc/68/47/41/1090684741.db2.gz DKDPSFLYVDLXSV-TZMCWYRMSA-N 2 2 305.466 3.151 20 0 DGADLP CNc1ccc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC001203459058 1090738836 /nfs/dbraw/zinc/73/88/36/1090738836.db2.gz WXEKWJZQSAJGCQ-UHFFFAOYSA-N 2 2 312.417 3.340 20 0 DGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)c1 ZINC001203484944 1090741496 /nfs/dbraw/zinc/74/14/96/1090741496.db2.gz YTHPDQGDHLIUGH-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)c1 ZINC001203484944 1090741500 /nfs/dbraw/zinc/74/15/00/1090741500.db2.gz YTHPDQGDHLIUGH-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(C)c1 ZINC001203731778 1090791414 /nfs/dbraw/zinc/79/14/14/1090791414.db2.gz MLPJCWCEEWFUTO-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001203749220 1090795956 /nfs/dbraw/zinc/79/59/56/1090795956.db2.gz YIDJWNWUJOPJMN-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001276425237 1090822996 /nfs/dbraw/zinc/82/29/96/1090822996.db2.gz SSTDQKMDXJVFHR-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001276425237 1090823001 /nfs/dbraw/zinc/82/30/01/1090823001.db2.gz SSTDQKMDXJVFHR-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001276425237 1090823006 /nfs/dbraw/zinc/82/30/06/1090823006.db2.gz SSTDQKMDXJVFHR-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001276425237 1090823011 /nfs/dbraw/zinc/82/30/11/1090823011.db2.gz SSTDQKMDXJVFHR-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2sccc2C)CC1 ZINC001204022126 1090871494 /nfs/dbraw/zinc/87/14/94/1090871494.db2.gz SNEKRDNWEQDCBC-MRXNPFEDSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2sccc2C)CC1 ZINC001204022126 1090871501 /nfs/dbraw/zinc/87/15/01/1090871501.db2.gz SNEKRDNWEQDCBC-MRXNPFEDSA-N 2 2 308.491 3.132 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3OCc4ccccc43)cc2)c[nH+]1 ZINC001204063932 1090888700 /nfs/dbraw/zinc/88/87/00/1090888700.db2.gz OLEMBTSBFYLNEJ-LJQANCHMSA-N 2 2 305.381 3.233 20 0 DGADLP Oc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001204092540 1090899980 /nfs/dbraw/zinc/89/99/80/1090899980.db2.gz RVLMRBMSOLWIKG-UHFFFAOYSA-N 2 2 300.446 3.233 20 0 DGADLP Oc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001204092540 1090899981 /nfs/dbraw/zinc/89/99/81/1090899981.db2.gz RVLMRBMSOLWIKG-UHFFFAOYSA-N 2 2 300.446 3.233 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC001204175326 1090913937 /nfs/dbraw/zinc/91/39/37/1090913937.db2.gz UJMAPECBAXEPMQ-UHFFFAOYSA-N 2 2 302.462 3.070 20 0 DGADLP COCC[N@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204283350 1090939229 /nfs/dbraw/zinc/93/92/29/1090939229.db2.gz RPPPJSUYOLXQCR-UHFFFAOYSA-N 2 2 314.832 3.022 20 0 DGADLP COCC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204283350 1090939232 /nfs/dbraw/zinc/93/92/32/1090939232.db2.gz RPPPJSUYOLXQCR-UHFFFAOYSA-N 2 2 314.832 3.022 20 0 DGADLP Cc1cc(C)[nH+]c(Nc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC001204476024 1090978316 /nfs/dbraw/zinc/97/83/16/1090978316.db2.gz KAHLGHDUYIVIMG-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP Cc1cc(C)[nH+]c(Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC001204476024 1090978318 /nfs/dbraw/zinc/97/83/18/1090978318.db2.gz KAHLGHDUYIVIMG-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001204476148 1090978785 /nfs/dbraw/zinc/97/87/85/1090978785.db2.gz XDRXNGUTLAIREE-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001204476148 1090978790 /nfs/dbraw/zinc/97/87/90/1090978790.db2.gz XDRXNGUTLAIREE-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001204476148 1090978794 /nfs/dbraw/zinc/97/87/94/1090978794.db2.gz XDRXNGUTLAIREE-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]2C1 ZINC001204476148 1090978798 /nfs/dbraw/zinc/97/87/98/1090978798.db2.gz XDRXNGUTLAIREE-YPMHNXCESA-N 2 2 316.342 3.228 20 0 DGADLP COc1ccc2cc(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001204518152 1090989527 /nfs/dbraw/zinc/98/95/27/1090989527.db2.gz UEQGBVJSYJLQES-AZUAARDMSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001204518152 1090989529 /nfs/dbraw/zinc/98/95/29/1090989529.db2.gz UEQGBVJSYJLQES-AZUAARDMSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)ccc2c1 ZINC001204518152 1090989533 /nfs/dbraw/zinc/98/95/33/1090989533.db2.gz UEQGBVJSYJLQES-AZUAARDMSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)ccc2c1 ZINC001204518152 1090989535 /nfs/dbraw/zinc/98/95/35/1090989535.db2.gz UEQGBVJSYJLQES-AZUAARDMSA-N 2 2 310.441 3.374 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168737646 1091026452 /nfs/dbraw/zinc/02/64/52/1091026452.db2.gz BNQVSQLEGHKYDY-MRXNPFEDSA-N 2 2 304.865 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168737646 1091026460 /nfs/dbraw/zinc/02/64/60/1091026460.db2.gz BNQVSQLEGHKYDY-MRXNPFEDSA-N 2 2 304.865 3.366 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204809722 1091040365 /nfs/dbraw/zinc/04/03/65/1091040365.db2.gz JTMOALYKQWVIQN-HXUWFJFHSA-N 2 2 309.457 3.343 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204809722 1091040370 /nfs/dbraw/zinc/04/03/70/1091040370.db2.gz JTMOALYKQWVIQN-HXUWFJFHSA-N 2 2 309.457 3.343 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@H]2C1 ZINC001204893495 1091057808 /nfs/dbraw/zinc/05/78/08/1091057808.db2.gz HJTVLPROPSLOAP-CHWSQXEVSA-N 2 2 316.342 3.228 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)c2)cc1 ZINC001204904304 1091059225 /nfs/dbraw/zinc/05/92/25/1091059225.db2.gz OCUXYIMSQIEGNG-LJQANCHMSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)c2)cc1 ZINC001204904304 1091059233 /nfs/dbraw/zinc/05/92/33/1091059233.db2.gz OCUXYIMSQIEGNG-LJQANCHMSA-N 2 2 308.425 3.285 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001204925256 1091063868 /nfs/dbraw/zinc/06/38/68/1091063868.db2.gz OKJRMVJNCWLKAC-CYBMUJFWSA-N 2 2 322.250 3.244 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001204925256 1091063876 /nfs/dbraw/zinc/06/38/76/1091063876.db2.gz OKJRMVJNCWLKAC-CYBMUJFWSA-N 2 2 322.250 3.244 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001205009531 1091083116 /nfs/dbraw/zinc/08/31/16/1091083116.db2.gz WBOFAASHVKXUHY-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001205009531 1091083121 /nfs/dbraw/zinc/08/31/21/1091083121.db2.gz WBOFAASHVKXUHY-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205089102 1091099805 /nfs/dbraw/zinc/09/98/05/1091099805.db2.gz XPXPJGJDBGJWRA-KBPBESRZSA-N 2 2 314.429 3.169 20 0 DGADLP COc1cc(OC)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205089102 1091099810 /nfs/dbraw/zinc/09/98/10/1091099810.db2.gz XPXPJGJDBGJWRA-KBPBESRZSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2nc(Cl)c(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cc2c1 ZINC001205110132 1091104349 /nfs/dbraw/zinc/10/43/49/1091104349.db2.gz PHLNHRUUJNTYBG-CQSZACIVSA-N 2 2 319.836 3.210 20 0 DGADLP COc1ccc2nc(Cl)c(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc2c1 ZINC001205110132 1091104352 /nfs/dbraw/zinc/10/43/52/1091104352.db2.gz PHLNHRUUJNTYBG-CQSZACIVSA-N 2 2 319.836 3.210 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)s2)cc1 ZINC001205182652 1091121089 /nfs/dbraw/zinc/12/10/89/1091121089.db2.gz GRIIXUFWAGQWHR-MLGOLLRUSA-N 2 2 302.443 3.345 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)s2)cc1 ZINC001205182652 1091121092 /nfs/dbraw/zinc/12/10/92/1091121092.db2.gz GRIIXUFWAGQWHR-MLGOLLRUSA-N 2 2 302.443 3.345 20 0 DGADLP c1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c2nccnc2c1 ZINC001138300308 1091135755 /nfs/dbraw/zinc/13/57/55/1091135755.db2.gz PWEGLTRQOKXMFL-UHFFFAOYSA-N 2 2 320.396 3.068 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001205251579 1091149614 /nfs/dbraw/zinc/14/96/14/1091149614.db2.gz NQZKDZMNDFLDBU-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001205251579 1091149618 /nfs/dbraw/zinc/14/96/18/1091149618.db2.gz NQZKDZMNDFLDBU-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001205264343 1091155388 /nfs/dbraw/zinc/15/53/88/1091155388.db2.gz KQDMLVJNMYIXRK-QGZVFWFLSA-N 2 2 303.381 3.184 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001205264343 1091155391 /nfs/dbraw/zinc/15/53/91/1091155391.db2.gz KQDMLVJNMYIXRK-QGZVFWFLSA-N 2 2 303.381 3.184 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(OC)c1 ZINC001205280771 1091162548 /nfs/dbraw/zinc/16/25/48/1091162548.db2.gz INNAHASUIFBGDF-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OC)c1 ZINC001205280771 1091162552 /nfs/dbraw/zinc/16/25/52/1091162552.db2.gz INNAHASUIFBGDF-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303195 1091172572 /nfs/dbraw/zinc/17/25/72/1091172572.db2.gz AUJUKYFXCRBJQV-WDEREUQCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303195 1091172582 /nfs/dbraw/zinc/17/25/82/1091172582.db2.gz AUJUKYFXCRBJQV-WDEREUQCSA-N 2 2 304.331 3.261 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303281 1091173488 /nfs/dbraw/zinc/17/34/88/1091173488.db2.gz BYBDWFWPUBOCID-DGCLKSJQSA-N 2 2 316.367 3.131 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303281 1091173494 /nfs/dbraw/zinc/17/34/94/1091173494.db2.gz BYBDWFWPUBOCID-DGCLKSJQSA-N 2 2 316.367 3.131 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2C1 ZINC001138414919 1091175593 /nfs/dbraw/zinc/17/55/93/1091175593.db2.gz SKUFWLFKMSFEMS-GJZGRUSLSA-N 2 2 315.436 3.389 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@H]1C[NH3+] ZINC001205317321 1091182696 /nfs/dbraw/zinc/18/26/96/1091182696.db2.gz NROVZCWWDSLNCG-RDTXWAMCSA-N 2 2 313.420 3.304 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@H]1C[NH3+] ZINC001205317321 1091182702 /nfs/dbraw/zinc/18/27/02/1091182702.db2.gz NROVZCWWDSLNCG-RDTXWAMCSA-N 2 2 313.420 3.304 20 0 DGADLP C[N@@H+](Cc1cccc2c3ccccc3oc21)C[C@@H]1C[NH2+]CCO1 ZINC001205377494 1091206605 /nfs/dbraw/zinc/20/66/05/1091206605.db2.gz YBTOTTLAEGTARU-HNNXBMFYSA-N 2 2 310.397 3.006 20 0 DGADLP C[N@H+](Cc1cccc2c3ccccc3oc21)C[C@@H]1C[NH2+]CCO1 ZINC001205377494 1091206610 /nfs/dbraw/zinc/20/66/10/1091206610.db2.gz YBTOTTLAEGTARU-HNNXBMFYSA-N 2 2 310.397 3.006 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC001138512281 1091210085 /nfs/dbraw/zinc/21/00/85/1091210085.db2.gz ONEJCCVDSQKLDN-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC001138512281 1091210094 /nfs/dbraw/zinc/21/00/94/1091210094.db2.gz ONEJCCVDSQKLDN-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccccc2)s1)C1CC[NH+](C)CC1 ZINC001138528882 1091218068 /nfs/dbraw/zinc/21/80/68/1091218068.db2.gz KUOUJUSVLDDSLZ-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccccc2)s1)C1CC[NH+](C)CC1 ZINC001138528882 1091218077 /nfs/dbraw/zinc/21/80/77/1091218077.db2.gz KUOUJUSVLDDSLZ-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP c1c[nH+]c(-c2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cc2)[nH]1 ZINC001205574170 1091262078 /nfs/dbraw/zinc/26/20/78/1091262078.db2.gz IWQJWFMSILMSAN-UHFFFAOYSA-N 2 2 304.397 3.153 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716582 1091297866 /nfs/dbraw/zinc/29/78/66/1091297866.db2.gz OPXUPWMOKYNBBS-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001205662010 1091302934 /nfs/dbraw/zinc/30/29/34/1091302934.db2.gz QWLBMQJWLBUJDW-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001205662010 1091302944 /nfs/dbraw/zinc/30/29/44/1091302944.db2.gz QWLBMQJWLBUJDW-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)nc2)CCC1(F)F ZINC001205770261 1091338766 /nfs/dbraw/zinc/33/87/66/1091338766.db2.gz MKOVHUIMOTXAKA-MRXNPFEDSA-N 2 2 317.383 3.165 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)nc2)CCC1(F)F ZINC001205770261 1091338776 /nfs/dbraw/zinc/33/87/76/1091338776.db2.gz MKOVHUIMOTXAKA-MRXNPFEDSA-N 2 2 317.383 3.165 20 0 DGADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001205780671 1091345957 /nfs/dbraw/zinc/34/59/57/1091345957.db2.gz SOEKSTPWPJESCU-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001205780671 1091345968 /nfs/dbraw/zinc/34/59/68/1091345968.db2.gz SOEKSTPWPJESCU-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccnc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001205780671 1091345978 /nfs/dbraw/zinc/34/59/78/1091345978.db2.gz SOEKSTPWPJESCU-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccnc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001205780671 1091345990 /nfs/dbraw/zinc/34/59/90/1091345990.db2.gz SOEKSTPWPJESCU-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1nc2cc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2s1 ZINC001205788884 1091348268 /nfs/dbraw/zinc/34/82/68/1091348268.db2.gz SSQUTZGJJVKRQN-GFCCVEGCSA-N 2 2 311.401 3.021 20 0 DGADLP Cc1nc2cc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2s1 ZINC001205788884 1091348276 /nfs/dbraw/zinc/34/82/76/1091348276.db2.gz SSQUTZGJJVKRQN-GFCCVEGCSA-N 2 2 311.401 3.021 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830025 1091370632 /nfs/dbraw/zinc/37/06/32/1091370632.db2.gz QSBIJCXGRDEXBH-UONOGXRCSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830025 1091370642 /nfs/dbraw/zinc/37/06/42/1091370642.db2.gz QSBIJCXGRDEXBH-UONOGXRCSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904668 1091401233 /nfs/dbraw/zinc/40/12/33/1091401233.db2.gz WGNFKHXJTXJSLK-VXGBXAGGSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904668 1091401241 /nfs/dbraw/zinc/40/12/41/1091401241.db2.gz WGNFKHXJTXJSLK-VXGBXAGGSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904666 1091402199 /nfs/dbraw/zinc/40/21/99/1091402199.db2.gz WGNFKHXJTXJSLK-NWDGAFQWSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904666 1091402204 /nfs/dbraw/zinc/40/22/04/1091402204.db2.gz WGNFKHXJTXJSLK-NWDGAFQWSA-N 2 2 302.340 3.144 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)c2c1OC(F)(F)O2 ZINC001205907339 1091403886 /nfs/dbraw/zinc/40/38/86/1091403886.db2.gz GOZZHHRKGFRZBC-CQSZACIVSA-N 2 2 324.371 3.054 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+]2CC[C@@H]2C2CC2)c2c1OC(F)(F)O2 ZINC001205907339 1091403889 /nfs/dbraw/zinc/40/38/89/1091403889.db2.gz GOZZHHRKGFRZBC-CQSZACIVSA-N 2 2 324.371 3.054 20 0 DGADLP CCCn1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001139043650 1091428692 /nfs/dbraw/zinc/42/86/92/1091428692.db2.gz WMLMXDSILWRQFK-UHFFFAOYSA-N 2 2 304.482 3.132 20 0 DGADLP CCCn1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001139043650 1091428698 /nfs/dbraw/zinc/42/86/98/1091428698.db2.gz WMLMXDSILWRQFK-UHFFFAOYSA-N 2 2 304.482 3.132 20 0 DGADLP C[C@]1(F)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139053258 1091430483 /nfs/dbraw/zinc/43/04/83/1091430483.db2.gz YZCFTVCYIKJQPH-IBGZPJMESA-N 2 2 320.452 3.233 20 0 DGADLP C[C@]1(F)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139053258 1091430486 /nfs/dbraw/zinc/43/04/86/1091430486.db2.gz YZCFTVCYIKJQPH-IBGZPJMESA-N 2 2 320.452 3.233 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C[C@H]1[NH3+] ZINC001206075462 1091480072 /nfs/dbraw/zinc/48/00/72/1091480072.db2.gz NNAGPDLKFNCMOR-KZULUSFZSA-N 2 2 302.368 3.411 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C[C@H]1[NH3+] ZINC001206075462 1091480075 /nfs/dbraw/zinc/48/00/75/1091480075.db2.gz NNAGPDLKFNCMOR-KZULUSFZSA-N 2 2 302.368 3.411 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Br ZINC001206175512 1091522960 /nfs/dbraw/zinc/52/29/60/1091522960.db2.gz VUIFFQWWYLMPNN-OLZOCXBDSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Br ZINC001206175512 1091522970 /nfs/dbraw/zinc/52/29/70/1091522970.db2.gz VUIFFQWWYLMPNN-OLZOCXBDSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206186011 1091527273 /nfs/dbraw/zinc/52/72/73/1091527273.db2.gz PRQXYKWGZDLJDZ-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206186011 1091527274 /nfs/dbraw/zinc/52/72/74/1091527274.db2.gz PRQXYKWGZDLJDZ-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197889 1091533385 /nfs/dbraw/zinc/53/33/85/1091533385.db2.gz JZRXVDVYWJBBQG-UWVGGRQHSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197889 1091533391 /nfs/dbraw/zinc/53/33/91/1091533391.db2.gz JZRXVDVYWJBBQG-UWVGGRQHSA-N 2 2 321.259 3.080 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC(c4ncccn4)CC3)cc2)c[nH+]1 ZINC001139362338 1091536328 /nfs/dbraw/zinc/53/63/28/1091536328.db2.gz LGPHKOKWWIJSBF-UHFFFAOYSA-N 2 2 319.412 3.042 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1Cc2ccccc2O1 ZINC001139363817 1091536765 /nfs/dbraw/zinc/53/67/65/1091536765.db2.gz KHGJXKUXVXMNBM-IBGZPJMESA-N 2 2 319.408 3.308 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1Cc2ccccc2O1 ZINC001139363817 1091536774 /nfs/dbraw/zinc/53/67/74/1091536774.db2.gz KHGJXKUXVXMNBM-IBGZPJMESA-N 2 2 319.408 3.308 20 0 DGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206211378 1091538679 /nfs/dbraw/zinc/53/86/79/1091538679.db2.gz NZONUVDYIQLPFL-QWHCGFSZSA-N 2 2 302.846 3.323 20 0 DGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206211378 1091538684 /nfs/dbraw/zinc/53/86/84/1091538684.db2.gz NZONUVDYIQLPFL-QWHCGFSZSA-N 2 2 302.846 3.323 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccsc4)nc3)C[C@H]2C1 ZINC001139502164 1091577305 /nfs/dbraw/zinc/57/73/05/1091577305.db2.gz KZGZGMOZNXRUTP-IAGOWNOFSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139502165 1091578821 /nfs/dbraw/zinc/57/88/21/1091578821.db2.gz KZGZGMOZNXRUTP-IRXDYDNUSA-N 2 2 313.470 3.194 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001206328496 1091582064 /nfs/dbraw/zinc/58/20/64/1091582064.db2.gz KDKHOZQNEFPYEF-IEBWSBKVSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC001206328496 1091582074 /nfs/dbraw/zinc/58/20/74/1091582074.db2.gz KDKHOZQNEFPYEF-IEBWSBKVSA-N 2 2 316.489 3.324 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139521381 1091584504 /nfs/dbraw/zinc/58/45/04/1091584504.db2.gz CTJBTNNPUKYXMK-UYAOXDASSA-N 2 2 307.441 3.132 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139521381 1091584512 /nfs/dbraw/zinc/58/45/12/1091584512.db2.gz CTJBTNNPUKYXMK-UYAOXDASSA-N 2 2 307.441 3.132 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139525873 1091586804 /nfs/dbraw/zinc/58/68/04/1091586804.db2.gz IFLBIUSNCHOTIB-OALUTQOASA-N 2 2 307.441 3.132 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206360735 1091596505 /nfs/dbraw/zinc/59/65/05/1091596505.db2.gz AEIQNVXRLWRXNP-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206360735 1091596514 /nfs/dbraw/zinc/59/65/14/1091596514.db2.gz AEIQNVXRLWRXNP-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(-c2cnn(CC[NH+](C)C)c2)c1 ZINC001206373808 1091603132 /nfs/dbraw/zinc/60/31/32/1091603132.db2.gz QOMKKDVFFPPKTB-UHFFFAOYSA-N 2 2 300.450 3.266 20 0 DGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206380809 1091606941 /nfs/dbraw/zinc/60/69/41/1091606941.db2.gz SXHBXPUNLFRMRH-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206380809 1091606949 /nfs/dbraw/zinc/60/69/49/1091606949.db2.gz SXHBXPUNLFRMRH-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2sccc2Br)C1 ZINC001206556867 1091669264 /nfs/dbraw/zinc/66/92/64/1091669264.db2.gz YQXCHNRDZLSOAM-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2sccc2Br)C1 ZINC001206556867 1091669266 /nfs/dbraw/zinc/66/92/66/1091669266.db2.gz YQXCHNRDZLSOAM-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206730333 1091714843 /nfs/dbraw/zinc/71/48/43/1091714843.db2.gz RZUAYHUZUBACTH-UHFFFAOYSA-N 2 2 310.441 3.355 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001206745144 1091721766 /nfs/dbraw/zinc/72/17/66/1091721766.db2.gz RCWCCVKRDZJDSA-UHFFFAOYSA-N 2 2 301.821 3.183 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC2)c(C)[nH+]1 ZINC001085279744 1091733039 /nfs/dbraw/zinc/73/30/39/1091733039.db2.gz BATCOMZVENUXKM-IAGOWNOFSA-N 2 2 315.461 3.047 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770840 1091733188 /nfs/dbraw/zinc/73/31/88/1091733188.db2.gz TWKDJBIECRXMPZ-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770840 1091733194 /nfs/dbraw/zinc/73/31/94/1091733194.db2.gz TWKDJBIECRXMPZ-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001140021159 1091740374 /nfs/dbraw/zinc/74/03/74/1091740374.db2.gz ITHASGVIUPVGFR-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001140021159 1091740380 /nfs/dbraw/zinc/74/03/80/1091740380.db2.gz ITHASGVIUPVGFR-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140027041 1091743123 /nfs/dbraw/zinc/74/31/23/1091743123.db2.gz VUYGKWIIFHTMSQ-LJQANCHMSA-N 2 2 311.429 3.183 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140027041 1091743131 /nfs/dbraw/zinc/74/31/31/1091743131.db2.gz VUYGKWIIFHTMSQ-LJQANCHMSA-N 2 2 311.429 3.183 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498216 1091771732 /nfs/dbraw/zinc/77/17/32/1091771732.db2.gz SUWRQINOAOBGJI-ICSRJNTNSA-N 3 2 319.537 3.059 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498216 1091771736 /nfs/dbraw/zinc/77/17/36/1091771736.db2.gz SUWRQINOAOBGJI-ICSRJNTNSA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498216 1091771741 /nfs/dbraw/zinc/77/17/41/1091771741.db2.gz SUWRQINOAOBGJI-ICSRJNTNSA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498216 1091771746 /nfs/dbraw/zinc/77/17/46/1091771746.db2.gz SUWRQINOAOBGJI-ICSRJNTNSA-N 3 2 319.537 3.059 20 0 DGADLP C[N@H+](Cc1cccc(F)n1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140134862 1091779459 /nfs/dbraw/zinc/77/94/59/1091779459.db2.gz BZJJDXHQTOMJEL-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP C[N@@H+](Cc1cccc(F)n1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140134862 1091779466 /nfs/dbraw/zinc/77/94/66/1091779466.db2.gz BZJJDXHQTOMJEL-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319311 1091823627 /nfs/dbraw/zinc/82/36/27/1091823627.db2.gz WSPJKIGTZJOLIL-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319311 1091823632 /nfs/dbraw/zinc/82/36/32/1091823632.db2.gz WSPJKIGTZJOLIL-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319311 1091823636 /nfs/dbraw/zinc/82/36/36/1091823636.db2.gz WSPJKIGTZJOLIL-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3cccnc3)C[C@@H]21 ZINC001140319311 1091823640 /nfs/dbraw/zinc/82/36/40/1091823640.db2.gz WSPJKIGTZJOLIL-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@@H](CC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1)CC(C)(C)C ZINC001276503956 1091827798 /nfs/dbraw/zinc/82/77/98/1091827798.db2.gz NBLFEEVRSQFLEQ-KRWDZBQOSA-N 2 2 318.509 3.106 20 0 DGADLP c1cn(C2CC[NH+](Cc3ccc(-c4cncnc4)cc3)CC2)c[nH+]1 ZINC001140353568 1091839684 /nfs/dbraw/zinc/83/96/84/1091839684.db2.gz KYELXWGZZPRUEB-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP Cc1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162799 1091872409 /nfs/dbraw/zinc/87/24/09/1091872409.db2.gz YVMRDQYTWKCFPX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162799 1091872418 /nfs/dbraw/zinc/87/24/18/1091872418.db2.gz YVMRDQYTWKCFPX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162799 1091872422 /nfs/dbraw/zinc/87/24/22/1091872422.db2.gz YVMRDQYTWKCFPX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001207162799 1091872430 /nfs/dbraw/zinc/87/24/30/1091872430.db2.gz YVMRDQYTWKCFPX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP C[NH+](C)CC(C)(C)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001207285767 1091910050 /nfs/dbraw/zinc/91/00/50/1091910050.db2.gz OAIZXRTWRMUMJF-UHFFFAOYSA-N 2 2 323.912 3.045 20 0 DGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1CCC(F)(F)CC1 ZINC001207347662 1091931616 /nfs/dbraw/zinc/93/16/16/1091931616.db2.gz HUOAWYRFLWTAPK-UHFFFAOYSA-N 3 2 319.484 3.017 20 0 DGADLP CC/C=C\CC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276526471 1091936247 /nfs/dbraw/zinc/93/62/47/1091936247.db2.gz RZMXTXIBAWKPCI-ZRHASKPBSA-N 2 2 306.494 3.452 20 0 DGADLP CC/C=C\CC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276526471 1091936254 /nfs/dbraw/zinc/93/62/54/1091936254.db2.gz RZMXTXIBAWKPCI-ZRHASKPBSA-N 2 2 306.494 3.452 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001276526471 1091936262 /nfs/dbraw/zinc/93/62/62/1091936262.db2.gz RZMXTXIBAWKPCI-ZRHASKPBSA-N 2 2 306.494 3.452 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001276526471 1091936270 /nfs/dbraw/zinc/93/62/70/1091936270.db2.gz RZMXTXIBAWKPCI-ZRHASKPBSA-N 2 2 306.494 3.452 20 0 DGADLP Cn1cnc2ccc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)cc21 ZINC001140742479 1091982376 /nfs/dbraw/zinc/98/23/76/1091982376.db2.gz LRBRKQFQXDPPCE-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Br)ccn1 ZINC001140767133 1091990187 /nfs/dbraw/zinc/99/01/87/1091990187.db2.gz CJOQPNOMESUHEV-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)ccn1 ZINC001140767133 1091990194 /nfs/dbraw/zinc/99/01/94/1091990194.db2.gz CJOQPNOMESUHEV-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP Cc1ccc(C[NH+]2CCN(Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140802998 1092012266 /nfs/dbraw/zinc/01/22/66/1092012266.db2.gz ISAJRRYUDQOFEM-UHFFFAOYSA-N 2 2 320.440 3.189 20 0 DGADLP C[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001207621711 1092047030 /nfs/dbraw/zinc/04/70/30/1092047030.db2.gz IOHWIGKGJLJNMJ-FCCDEINASA-N 2 2 309.542 3.063 20 0 DGADLP C[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001207621711 1092047041 /nfs/dbraw/zinc/04/70/41/1092047041.db2.gz IOHWIGKGJLJNMJ-FCCDEINASA-N 2 2 309.542 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC001140963521 1092085917 /nfs/dbraw/zinc/08/59/17/1092085917.db2.gz WHFPORQYAYHNHY-UHFFFAOYSA-N 2 2 316.367 3.420 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140981174 1092094753 /nfs/dbraw/zinc/09/47/53/1092094753.db2.gz QJKUVVSVBRYQJF-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140981174 1092094763 /nfs/dbraw/zinc/09/47/63/1092094763.db2.gz QJKUVVSVBRYQJF-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207860467 1092123365 /nfs/dbraw/zinc/12/33/65/1092123365.db2.gz BONCOGKNLHOCDX-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207860467 1092123370 /nfs/dbraw/zinc/12/33/70/1092123370.db2.gz BONCOGKNLHOCDX-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H](C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1)c1ccccc1 ZINC001207903328 1092133057 /nfs/dbraw/zinc/13/30/57/1092133057.db2.gz GWETZDYGVKXECN-HNNXBMFYSA-N 2 2 322.412 3.081 20 0 DGADLP C[C@@H](C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1)c1ccccc1 ZINC001207903328 1092133064 /nfs/dbraw/zinc/13/30/64/1092133064.db2.gz GWETZDYGVKXECN-HNNXBMFYSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)o1 ZINC001207948807 1092153327 /nfs/dbraw/zinc/15/33/27/1092153327.db2.gz AQAIPWMRCQWJLM-UHFFFAOYSA-N 2 2 320.477 3.096 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)o1 ZINC001207948807 1092153330 /nfs/dbraw/zinc/15/33/30/1092153330.db2.gz AQAIPWMRCQWJLM-UHFFFAOYSA-N 2 2 320.477 3.096 20 0 DGADLP c1cn(-c2cccc(CN3CC[NH+](CC4CCCC4)CC3)c2)c[nH+]1 ZINC001141242591 1092190327 /nfs/dbraw/zinc/19/03/27/1092190327.db2.gz BFNBNRNPEPMBNB-UHFFFAOYSA-N 2 2 324.472 3.180 20 0 DGADLP CC/C=C\CCC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001208132631 1092207671 /nfs/dbraw/zinc/20/76/71/1092207671.db2.gz MHZJXBNXOIYNJE-SREVYHEPSA-N 2 2 319.497 3.070 20 0 DGADLP CC/C=C\CCC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001208132631 1092207680 /nfs/dbraw/zinc/20/76/80/1092207680.db2.gz MHZJXBNXOIYNJE-SREVYHEPSA-N 2 2 319.497 3.070 20 0 DGADLP CC/C=C\CCC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001208132631 1092207690 /nfs/dbraw/zinc/20/76/90/1092207690.db2.gz MHZJXBNXOIYNJE-SREVYHEPSA-N 2 2 319.497 3.070 20 0 DGADLP CC/C=C\CCC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001208132631 1092207700 /nfs/dbraw/zinc/20/77/00/1092207700.db2.gz MHZJXBNXOIYNJE-SREVYHEPSA-N 2 2 319.497 3.070 20 0 DGADLP Cc1ccc([C@H](C)CC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)o1 ZINC001208155213 1092226249 /nfs/dbraw/zinc/22/62/49/1092226249.db2.gz KCHYQODZPLUOSI-OAHLLOKOSA-N 2 2 302.462 3.499 20 0 DGADLP Cc1ccc([C@H](C)CC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)o1 ZINC001208155213 1092226264 /nfs/dbraw/zinc/22/62/64/1092226264.db2.gz KCHYQODZPLUOSI-OAHLLOKOSA-N 2 2 302.462 3.499 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001208602133 1092421215 /nfs/dbraw/zinc/42/12/15/1092421215.db2.gz YPQCMXGFKHRWCK-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001208602133 1092421234 /nfs/dbraw/zinc/42/12/34/1092421234.db2.gz YPQCMXGFKHRWCK-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208601953 1092422814 /nfs/dbraw/zinc/42/28/14/1092422814.db2.gz UOYKVMWPGCJKBT-SFHVURJKSA-N 2 2 324.415 3.070 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208601953 1092422819 /nfs/dbraw/zinc/42/28/19/1092422819.db2.gz UOYKVMWPGCJKBT-SFHVURJKSA-N 2 2 324.415 3.070 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccccc3F)CC2)C1 ZINC001208616484 1092431381 /nfs/dbraw/zinc/43/13/81/1092431381.db2.gz JSXKNWQYWUZNOH-OAHLLOKOSA-N 2 2 318.436 3.062 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccccc3F)CC2)C1 ZINC001208616484 1092431383 /nfs/dbraw/zinc/43/13/83/1092431383.db2.gz JSXKNWQYWUZNOH-OAHLLOKOSA-N 2 2 318.436 3.062 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142680266 1092527693 /nfs/dbraw/zinc/52/76/93/1092527693.db2.gz WHUWBAORELQFFK-UHFFFAOYSA-N 2 2 321.428 3.005 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc3nc[nH]c32)CC1 ZINC001142680266 1092527706 /nfs/dbraw/zinc/52/77/06/1092527706.db2.gz WHUWBAORELQFFK-UHFFFAOYSA-N 2 2 321.428 3.005 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1F)C2 ZINC001169098627 1092529627 /nfs/dbraw/zinc/52/96/27/1092529627.db2.gz KCURMMSGBOFSLU-CNDDSTCGSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1F)C2 ZINC001169098627 1092529641 /nfs/dbraw/zinc/52/96/41/1092529641.db2.gz KCURMMSGBOFSLU-CNDDSTCGSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119079 1092541867 /nfs/dbraw/zinc/54/18/67/1092541867.db2.gz PYFZUGANTHPLQR-AYDFFVQHSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119079 1092541884 /nfs/dbraw/zinc/54/18/84/1092541884.db2.gz PYFZUGANTHPLQR-AYDFFVQHSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208882333 1092562796 /nfs/dbraw/zinc/56/27/96/1092562796.db2.gz LLXPCIDLKMTZFE-IBGZPJMESA-N 2 2 318.436 3.415 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208882333 1092562806 /nfs/dbraw/zinc/56/28/06/1092562806.db2.gz LLXPCIDLKMTZFE-IBGZPJMESA-N 2 2 318.436 3.415 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001169263560 1092607668 /nfs/dbraw/zinc/60/76/68/1092607668.db2.gz BGXLJNXXFRNRAT-UHFFFAOYSA-N 2 2 318.436 3.205 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143028486 1092607963 /nfs/dbraw/zinc/60/79/63/1092607963.db2.gz CCOSKBUGHPRXNO-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143028486 1092607971 /nfs/dbraw/zinc/60/79/71/1092607971.db2.gz CCOSKBUGHPRXNO-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001169244183 1092613855 /nfs/dbraw/zinc/61/38/55/1092613855.db2.gz GMBJXLFKZNFCTB-HNNXBMFYSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001169274026 1092624247 /nfs/dbraw/zinc/62/42/47/1092624247.db2.gz WAWSLKBNTYKSKH-UYAOXDASSA-N 2 2 315.505 3.367 20 0 DGADLP COCCC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001209049815 1092634767 /nfs/dbraw/zinc/63/47/67/1092634767.db2.gz FSUKNDIQHBTBAD-UHFFFAOYSA-N 2 2 311.385 3.030 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143256425 1092643111 /nfs/dbraw/zinc/64/31/11/1092643111.db2.gz JZYJGGWSIQRPCK-UHFFFAOYSA-N 2 2 308.319 3.108 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143256425 1092643113 /nfs/dbraw/zinc/64/31/13/1092643113.db2.gz JZYJGGWSIQRPCK-UHFFFAOYSA-N 2 2 308.319 3.108 20 0 DGADLP CC[N@H+](CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209258606 1092716959 /nfs/dbraw/zinc/71/69/59/1092716959.db2.gz FYZDJWRYQQEMOY-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP CC[N@@H+](CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209258606 1092716967 /nfs/dbraw/zinc/71/69/67/1092716967.db2.gz FYZDJWRYQQEMOY-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)C1 ZINC001206631877 1092727212 /nfs/dbraw/zinc/72/72/12/1092727212.db2.gz BUQRFPVTRHPNBH-SNVBAGLBSA-N 2 2 321.774 3.315 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)C1 ZINC001206631877 1092727216 /nfs/dbraw/zinc/72/72/16/1092727216.db2.gz BUQRFPVTRHPNBH-SNVBAGLBSA-N 2 2 321.774 3.315 20 0 DGADLP Fc1ccc(F)c(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448788 1092779616 /nfs/dbraw/zinc/77/96/16/1092779616.db2.gz HVXFHFUCEYHMBO-INIZCTEOSA-N 2 2 324.415 3.294 20 0 DGADLP Fc1ccc(F)c(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209448788 1092779623 /nfs/dbraw/zinc/77/96/23/1092779623.db2.gz HVXFHFUCEYHMBO-INIZCTEOSA-N 2 2 324.415 3.294 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209558456 1092820706 /nfs/dbraw/zinc/82/07/06/1092820706.db2.gz IETXRGNLZKKMJY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209558456 1092820714 /nfs/dbraw/zinc/82/07/14/1092820714.db2.gz IETXRGNLZKKMJY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209558456 1092820721 /nfs/dbraw/zinc/82/07/21/1092820721.db2.gz IETXRGNLZKKMJY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209558456 1092820729 /nfs/dbraw/zinc/82/07/29/1092820729.db2.gz IETXRGNLZKKMJY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551465 1092820884 /nfs/dbraw/zinc/82/08/84/1092820884.db2.gz XMFBVGBNMOLWMP-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551465 1092820891 /nfs/dbraw/zinc/82/08/91/1092820891.db2.gz XMFBVGBNMOLWMP-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551465 1092820898 /nfs/dbraw/zinc/82/08/98/1092820898.db2.gz XMFBVGBNMOLWMP-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551465 1092820902 /nfs/dbraw/zinc/82/09/02/1092820902.db2.gz XMFBVGBNMOLWMP-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(Cc3c[nH]c(C)[nH+]3)[C@@H]2C1 ZINC001276682191 1093126886 /nfs/dbraw/zinc/12/68/86/1093126886.db2.gz GCYHUWRFOLJVGS-JENIJYKNSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(Cc3c[nH]c(C)[nH+]3)[C@@H]2C1 ZINC001276682191 1093126890 /nfs/dbraw/zinc/12/68/90/1093126890.db2.gz GCYHUWRFOLJVGS-JENIJYKNSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(Cc3c[nH+]c(C)[nH]3)[C@@H]2C1 ZINC001276682191 1093126891 /nfs/dbraw/zinc/12/68/91/1093126891.db2.gz GCYHUWRFOLJVGS-JENIJYKNSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(Cc3c[nH+]c(C)[nH]3)[C@@H]2C1 ZINC001276682191 1093126894 /nfs/dbraw/zinc/12/68/94/1093126894.db2.gz GCYHUWRFOLJVGS-JENIJYKNSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(CN(Cc3c[nH+]c(C)[nH]3)C2)C1 ZINC001276682620 1093132910 /nfs/dbraw/zinc/13/29/10/1093132910.db2.gz SVBBMEZHQQFEPD-KRWDZBQOSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(CN(Cc3c[nH+]c(C)[nH]3)C2)C1 ZINC001276682620 1093132913 /nfs/dbraw/zinc/13/29/13/1093132913.db2.gz SVBBMEZHQQFEPD-KRWDZBQOSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(CN(Cc3c[nH]c(C)[nH+]3)C2)C1 ZINC001276682620 1093132920 /nfs/dbraw/zinc/13/29/20/1093132920.db2.gz SVBBMEZHQQFEPD-KRWDZBQOSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(CN(Cc3c[nH]c(C)[nH+]3)C2)C1 ZINC001276682620 1093132922 /nfs/dbraw/zinc/13/29/22/1093132922.db2.gz SVBBMEZHQQFEPD-KRWDZBQOSA-N 2 2 318.509 3.442 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001210475996 1093180474 /nfs/dbraw/zinc/18/04/74/1093180474.db2.gz QJIVZSUCEPAUKA-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001210475996 1093180481 /nfs/dbraw/zinc/18/04/81/1093180481.db2.gz QJIVZSUCEPAUKA-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP COc1cc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc2c1NC(C)(C)C=C2 ZINC001210519267 1093195891 /nfs/dbraw/zinc/19/58/91/1093195891.db2.gz NRRCEXYWNJCDSQ-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP COc1cc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc2c1NC(C)(C)C=C2 ZINC001210519267 1093195894 /nfs/dbraw/zinc/19/58/94/1093195894.db2.gz NRRCEXYWNJCDSQ-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+](CC(=O)OCC)CC2 ZINC001276703004 1093612440 /nfs/dbraw/zinc/61/24/40/1093612440.db2.gz AEZIXSAUIXSZBY-KRWDZBQOSA-N 2 2 324.509 3.164 20 0 DGADLP OCCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000304846734 1093932992 /nfs/dbraw/zinc/93/29/92/1093932992.db2.gz USSPJLWZMVIFHD-UHFFFAOYSA-N 2 2 313.445 3.295 20 0 DGADLP [NH3+]Cc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1 ZINC001215491253 1093989902 /nfs/dbraw/zinc/98/99/02/1093989902.db2.gz ANBWVQDBUIENHB-UHFFFAOYSA-N 2 2 317.352 3.048 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000403216214 1094102263 /nfs/dbraw/zinc/10/22/63/1094102263.db2.gz GQRIPPZONBZFDZ-GFCCVEGCSA-N 2 2 308.294 3.121 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000403216214 1094102266 /nfs/dbraw/zinc/10/22/66/1094102266.db2.gz GQRIPPZONBZFDZ-GFCCVEGCSA-N 2 2 308.294 3.121 20 0 DGADLP Cc1nnsc1[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001119856210 1094299281 /nfs/dbraw/zinc/29/92/81/1094299281.db2.gz XBQFRQQBDSEFTP-ZDUSSCGKSA-N 2 2 318.446 3.154 20 0 DGADLP CC(C)c1ccc(-c2nnc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)o2)cc1 ZINC001217698463 1094475164 /nfs/dbraw/zinc/47/51/64/1094475164.db2.gz DHZBPVKMLPPBES-KRWDZBQOSA-N 2 2 322.412 3.486 20 0 DGADLP Fc1cc(C[NH2+]CCCC(F)(F)F)ccc1-n1cc[nH+]c1 ZINC001336656426 1094688194 /nfs/dbraw/zinc/68/81/94/1094688194.db2.gz VWSVVZCTTHUMBG-UHFFFAOYSA-N 2 2 301.287 3.444 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])cc2)[nH+]c1C ZINC001122132388 1094908347 /nfs/dbraw/zinc/90/83/47/1094908347.db2.gz UNTQGENWRXFFEV-CVEARBPZSA-N 2 2 312.417 3.150 20 0 DGADLP Cc1[nH+]c2c(n1[C@H]1CCc3cccc(Cl)c3C1)CC[NH2+]CC2 ZINC001170915442 1094916174 /nfs/dbraw/zinc/91/61/74/1094916174.db2.gz ACROSYYMIJEPDH-AWEZNQCLSA-N 2 2 315.848 3.263 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3cc(F)ccc3c2)cc1 ZINC001218984179 1094919425 /nfs/dbraw/zinc/91/94/25/1094919425.db2.gz JKUZVHXUDAKVQW-SFHVURJKSA-N 2 2 323.371 3.190 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246092564 1095007841 /nfs/dbraw/zinc/00/78/41/1095007841.db2.gz SQUFNQRWKGJCMR-DRZSPHRISA-N 2 2 302.846 3.110 20 0 DGADLP COc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C ZINC001137004474 1095278453 /nfs/dbraw/zinc/27/84/53/1095278453.db2.gz AQRLSSLTRJGMJQ-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C ZINC001137004474 1095278459 /nfs/dbraw/zinc/27/84/59/1095278459.db2.gz AQRLSSLTRJGMJQ-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001338447466 1095308503 /nfs/dbraw/zinc/30/85/03/1095308503.db2.gz BMTVQZKMUATWDH-BPQIPLTHSA-N 2 2 315.461 3.052 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171122233 1095448963 /nfs/dbraw/zinc/44/89/63/1095448963.db2.gz NMUUXAJVILKATC-INIZCTEOSA-N 2 2 301.821 3.218 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171122233 1095448969 /nfs/dbraw/zinc/44/89/69/1095448969.db2.gz NMUUXAJVILKATC-INIZCTEOSA-N 2 2 301.821 3.218 20 0 DGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148409 1095457773 /nfs/dbraw/zinc/45/77/73/1095457773.db2.gz NWWHSVZVNNYSEG-FQEVSTJZSA-N 2 2 323.440 3.449 20 0 DGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC001222148409 1095457779 /nfs/dbraw/zinc/45/77/79/1095457779.db2.gz NWWHSVZVNNYSEG-FQEVSTJZSA-N 2 2 323.440 3.449 20 0 DGADLP Nc1ccc(F)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001222167730 1095472620 /nfs/dbraw/zinc/47/26/20/1095472620.db2.gz PSZWYTNTSFUUJL-SFHVURJKSA-N 2 2 323.431 3.293 20 0 DGADLP Nc1ccc(F)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001222167730 1095472622 /nfs/dbraw/zinc/47/26/22/1095472622.db2.gz PSZWYTNTSFUUJL-SFHVURJKSA-N 2 2 323.431 3.293 20 0 DGADLP Clc1cccnc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222168250 1095475588 /nfs/dbraw/zinc/47/55/88/1095475588.db2.gz YRBLEZHNYJNMSH-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cccnc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222168250 1095475592 /nfs/dbraw/zinc/47/55/92/1095475592.db2.gz YRBLEZHNYJNMSH-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Nc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173592 1095478904 /nfs/dbraw/zinc/47/89/04/1095478904.db2.gz VQMPIOZKIIFWDQ-SFHVURJKSA-N 2 2 323.431 3.293 20 0 DGADLP Nc1cc(F)c(F)cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173592 1095478910 /nfs/dbraw/zinc/47/89/10/1095478910.db2.gz VQMPIOZKIIFWDQ-SFHVURJKSA-N 2 2 323.431 3.293 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272385 1095522542 /nfs/dbraw/zinc/52/25/42/1095522542.db2.gz SQKLHBVZOFMTEX-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272385 1095522551 /nfs/dbraw/zinc/52/25/51/1095522551.db2.gz SQKLHBVZOFMTEX-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277858 1095525456 /nfs/dbraw/zinc/52/54/56/1095525456.db2.gz UJDXOTOXAVFZRR-QGZVFWFLSA-N 2 2 305.491 3.078 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277858 1095525464 /nfs/dbraw/zinc/52/54/64/1095525464.db2.gz UJDXOTOXAVFZRR-QGZVFWFLSA-N 2 2 305.491 3.078 20 0 DGADLP CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314494 1095545485 /nfs/dbraw/zinc/54/54/85/1095545485.db2.gz GUNRBHAMYUXODQ-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314494 1095545491 /nfs/dbraw/zinc/54/54/91/1095545491.db2.gz GUNRBHAMYUXODQ-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP COc1c(F)c(C)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001222317271 1095547993 /nfs/dbraw/zinc/54/79/93/1095547993.db2.gz ZTXQIHBYEAQXKQ-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1c(F)c(C)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001222317271 1095548007 /nfs/dbraw/zinc/54/80/07/1095548007.db2.gz ZTXQIHBYEAQXKQ-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)cn1 ZINC001222321509 1095551168 /nfs/dbraw/zinc/55/11/68/1095551168.db2.gz XXAWKCDJUQDHNO-GOSISDBHSA-N 2 2 321.440 3.116 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)cn1 ZINC001222321509 1095551175 /nfs/dbraw/zinc/55/11/75/1095551175.db2.gz XXAWKCDJUQDHNO-GOSISDBHSA-N 2 2 321.440 3.116 20 0 DGADLP c1cncc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353713 1095568368 /nfs/dbraw/zinc/56/83/68/1095568368.db2.gz FYYZVIDMEYTJEV-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353713 1095568377 /nfs/dbraw/zinc/56/83/77/1095568377.db2.gz FYYZVIDMEYTJEV-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222464691 1095627470 /nfs/dbraw/zinc/62/74/70/1095627470.db2.gz CAIVPKXNYXEUNA-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222464691 1095627476 /nfs/dbraw/zinc/62/74/76/1095627476.db2.gz CAIVPKXNYXEUNA-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O)cc1C(F)(F)F ZINC001144385735 1095637282 /nfs/dbraw/zinc/63/72/82/1095637282.db2.gz GUTKTTPITBGCGV-UHFFFAOYSA-N 2 2 316.367 3.329 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O)cc1C(F)(F)F ZINC001144385735 1095637287 /nfs/dbraw/zinc/63/72/87/1095637287.db2.gz GUTKTTPITBGCGV-UHFFFAOYSA-N 2 2 316.367 3.329 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c(Cl)nc2c1 ZINC001222620333 1095696071 /nfs/dbraw/zinc/69/60/71/1095696071.db2.gz NNDJDXNDIFTYMC-WMLDXEAASA-N 2 2 315.848 3.380 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c(Cl)nc2c1 ZINC001222620333 1095696078 /nfs/dbraw/zinc/69/60/78/1095696078.db2.gz NNDJDXNDIFTYMC-WMLDXEAASA-N 2 2 315.848 3.380 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(Br)s3)C2)CC1 ZINC001137647290 1095699773 /nfs/dbraw/zinc/69/97/73/1095699773.db2.gz LTMKOHRUFPMZKL-UHFFFAOYSA-N 2 2 315.280 3.038 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2C(=O)OC)CC1 ZINC001137792342 1095742899 /nfs/dbraw/zinc/74/28/99/1095742899.db2.gz FEHHBULMIFCPKA-UHFFFAOYSA-N 2 2 318.461 3.170 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C(=O)OC)CC1 ZINC001137792342 1095742914 /nfs/dbraw/zinc/74/29/14/1095742914.db2.gz FEHHBULMIFCPKA-UHFFFAOYSA-N 2 2 318.461 3.170 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137997849 1095826132 /nfs/dbraw/zinc/82/61/32/1095826132.db2.gz GBXUIBOCHPEIQX-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137997849 1095826153 /nfs/dbraw/zinc/82/61/53/1095826153.db2.gz GBXUIBOCHPEIQX-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001340153480 1095888575 /nfs/dbraw/zinc/88/85/75/1095888575.db2.gz BJFQDXWDJXXGML-QGTPRVQTSA-N 2 2 324.428 3.122 20 0 DGADLP Cc1ccc(NC(=[NH2+])NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC001118350127 1095985468 /nfs/dbraw/zinc/98/54/68/1095985468.db2.gz HSGDDIQGHRWXPE-UHFFFAOYSA-N 2 2 319.412 3.376 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H](C)C[NH+]1CCCC1)CC2 ZINC001171292832 1096149623 /nfs/dbraw/zinc/14/96/23/1096149623.db2.gz OHRXPEPIKNCHAS-ZIAGYGMSSA-N 2 2 322.880 3.280 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001171356222 1096527623 /nfs/dbraw/zinc/52/76/23/1096527623.db2.gz YARJBVSGBUEORL-JKSUJKDBSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001171356222 1096527628 /nfs/dbraw/zinc/52/76/28/1096527628.db2.gz YARJBVSGBUEORL-JKSUJKDBSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001171360285 1096528310 /nfs/dbraw/zinc/52/83/10/1096528310.db2.gz IZHDGURSJCCANL-QGZVFWFLSA-N 2 2 320.427 3.382 20 0 DGADLP Cc1[nH+]cn([C@H]2CCc3c(F)cccc3C2)c1CSCC[NH3+] ZINC001171405429 1096676029 /nfs/dbraw/zinc/67/60/29/1096676029.db2.gz UVNDNPQWSCNJBG-AWEZNQCLSA-N 2 2 319.449 3.253 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001171464411 1096893272 /nfs/dbraw/zinc/89/32/72/1096893272.db2.gz AGGIOHDLZFBJDQ-IRXDYDNUSA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001171464411 1096893276 /nfs/dbraw/zinc/89/32/76/1096893276.db2.gz AGGIOHDLZFBJDQ-IRXDYDNUSA-N 2 2 320.427 3.286 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488800 1096896218 /nfs/dbraw/zinc/89/62/18/1096896218.db2.gz PCQBBEPGMAHIAP-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488800 1096896227 /nfs/dbraw/zinc/89/62/27/1096896227.db2.gz PCQBBEPGMAHIAP-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495449 1096901120 /nfs/dbraw/zinc/90/11/20/1096901120.db2.gz IHVGOZHXYNCVHX-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495449 1096901121 /nfs/dbraw/zinc/90/11/21/1096901121.db2.gz IHVGOZHXYNCVHX-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528791 1096919276 /nfs/dbraw/zinc/91/92/76/1096919276.db2.gz SUNLQQSRBLYTDJ-AWEZNQCLSA-N 2 2 316.449 3.097 20 0 DGADLP CCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598763 1096932625 /nfs/dbraw/zinc/93/26/25/1096932625.db2.gz KOIMMRTUZDHLFO-IBGZPJMESA-N 2 2 304.478 3.398 20 0 DGADLP CCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598763 1096932621 /nfs/dbraw/zinc/93/26/21/1096932621.db2.gz KOIMMRTUZDHLFO-IBGZPJMESA-N 2 2 304.478 3.398 20 0 DGADLP CCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598763 1096932627 /nfs/dbraw/zinc/93/26/27/1096932627.db2.gz KOIMMRTUZDHLFO-IBGZPJMESA-N 2 2 304.478 3.398 20 0 DGADLP CCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598763 1096932630 /nfs/dbraw/zinc/93/26/30/1096932630.db2.gz KOIMMRTUZDHLFO-IBGZPJMESA-N 2 2 304.478 3.398 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCCc3nccnc32)CC1(C)C ZINC001171626933 1096938552 /nfs/dbraw/zinc/93/85/52/1096938552.db2.gz HSMZEFXFZTXHCW-OAHLLOKOSA-N 2 2 302.466 3.095 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)CC1(C)C ZINC001171639976 1096949722 /nfs/dbraw/zinc/94/97/22/1096949722.db2.gz XITCFRUNWLREQO-HNNXBMFYSA-N 2 2 324.509 3.444 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)CC1(C)C ZINC001171639976 1096949727 /nfs/dbraw/zinc/94/97/27/1096949727.db2.gz XITCFRUNWLREQO-HNNXBMFYSA-N 2 2 324.509 3.444 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]2c2ncccn2)CC1(C)C ZINC001171644578 1096950646 /nfs/dbraw/zinc/95/06/46/1096950646.db2.gz FVCAVAJFLKCELC-HNNXBMFYSA-N 2 2 302.466 3.265 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]2c2ncccn2)CC1(C)C ZINC001171644578 1096950653 /nfs/dbraw/zinc/95/06/53/1096950653.db2.gz FVCAVAJFLKCELC-HNNXBMFYSA-N 2 2 302.466 3.265 20 0 DGADLP CC(C)[NH+]1CC(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972650 1097021577 /nfs/dbraw/zinc/02/15/77/1097021577.db2.gz SACCCDSDABDNRM-SFHVURJKSA-N 2 2 315.505 3.112 20 0 DGADLP CC(C)N1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972650 1097021583 /nfs/dbraw/zinc/02/15/83/1097021583.db2.gz SACCCDSDABDNRM-SFHVURJKSA-N 2 2 315.505 3.112 20 0 DGADLP CC(C)N1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171972650 1097021586 /nfs/dbraw/zinc/02/15/86/1097021586.db2.gz SACCCDSDABDNRM-SFHVURJKSA-N 2 2 315.505 3.112 20 0 DGADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172113577 1097060457 /nfs/dbraw/zinc/06/04/57/1097060457.db2.gz KRJXDPNYUPHXEI-PMOLBWCYSA-N 2 2 313.489 3.132 20 0 DGADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172113577 1097060460 /nfs/dbraw/zinc/06/04/60/1097060460.db2.gz KRJXDPNYUPHXEI-PMOLBWCYSA-N 2 2 313.489 3.132 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118192 1097063673 /nfs/dbraw/zinc/06/36/73/1097063673.db2.gz PEIUDAQJUYJPIB-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172118192 1097063679 /nfs/dbraw/zinc/06/36/79/1097063679.db2.gz PEIUDAQJUYJPIB-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118192 1097063683 /nfs/dbraw/zinc/06/36/83/1097063683.db2.gz PEIUDAQJUYJPIB-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118192 1097063689 /nfs/dbraw/zinc/06/36/89/1097063689.db2.gz PEIUDAQJUYJPIB-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124348 1097065887 /nfs/dbraw/zinc/06/58/87/1097065887.db2.gz KTKCLEYUNLDZKL-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124348 1097065893 /nfs/dbraw/zinc/06/58/93/1097065893.db2.gz KTKCLEYUNLDZKL-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124348 1097065900 /nfs/dbraw/zinc/06/59/00/1097065900.db2.gz KTKCLEYUNLDZKL-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@H](c3ccccc3)C1)C2 ZINC001172124348 1097065907 /nfs/dbraw/zinc/06/59/07/1097065907.db2.gz KTKCLEYUNLDZKL-RDGPPVDQSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2COC(C)(C)C2)CC1 ZINC001172292365 1097106884 /nfs/dbraw/zinc/10/68/84/1097106884.db2.gz DBEQRANYFIAMNK-SFHVURJKSA-N 2 2 320.452 3.289 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2COC(C)(C)C2)CC1 ZINC001172292365 1097106886 /nfs/dbraw/zinc/10/68/86/1097106886.db2.gz DBEQRANYFIAMNK-SFHVURJKSA-N 2 2 320.452 3.289 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)c1 ZINC001172383322 1097141050 /nfs/dbraw/zinc/14/10/50/1097141050.db2.gz PEGGOCXOYCNLHG-HRCADAONSA-N 2 2 303.450 3.037 20 0 DGADLP CC(C)OCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172439522 1097154061 /nfs/dbraw/zinc/15/40/61/1097154061.db2.gz BPYSPAOLOZJDCT-QUCCMNQESA-N 2 2 318.505 3.487 20 0 DGADLP CC(C)(C)c1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc[nH+]1 ZINC001212666651 1097176151 /nfs/dbraw/zinc/17/61/51/1097176151.db2.gz ZARGSWFSMYWKAP-UHFFFAOYSA-N 2 2 311.429 3.299 20 0 DGADLP CC1(C)CC([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC(C)(C)O1 ZINC001172661912 1097206010 /nfs/dbraw/zinc/20/60/10/1097206010.db2.gz RBEWJYANANTQBH-JKSUJKDBSA-N 2 2 312.473 3.231 20 0 DGADLP CC1(C)CC([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC(C)(C)O1 ZINC001172661912 1097206014 /nfs/dbraw/zinc/20/60/14/1097206014.db2.gz RBEWJYANANTQBH-JKSUJKDBSA-N 2 2 312.473 3.231 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172770270 1097236342 /nfs/dbraw/zinc/23/63/42/1097236342.db2.gz KFZUCNCHDBXMPX-MRXNPFEDSA-N 2 2 324.509 3.446 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172770270 1097236347 /nfs/dbraw/zinc/23/63/47/1097236347.db2.gz KFZUCNCHDBXMPX-MRXNPFEDSA-N 2 2 324.509 3.446 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206185053 1097306660 /nfs/dbraw/zinc/30/66/60/1097306660.db2.gz KTTPWYSNXVQCLK-ZIAGYGMSSA-N 2 2 304.331 3.275 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206185053 1097306663 /nfs/dbraw/zinc/30/66/63/1097306663.db2.gz KTTPWYSNXVQCLK-ZIAGYGMSSA-N 2 2 304.331 3.275 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC001173073168 1097322937 /nfs/dbraw/zinc/32/29/37/1097322937.db2.gz LIHCKMMYWOWLLR-CYBMUJFWSA-N 2 2 316.367 3.202 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ncsc2C1 ZINC001173140163 1097343068 /nfs/dbraw/zinc/34/30/68/1097343068.db2.gz FEUOLIOBUFTQMK-INIZCTEOSA-N 2 2 324.453 3.318 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ncsc2C1 ZINC001173140163 1097343073 /nfs/dbraw/zinc/34/30/73/1097343073.db2.gz FEUOLIOBUFTQMK-INIZCTEOSA-N 2 2 324.453 3.318 20 0 DGADLP Cc1cn2cccc(Nc3cccc(N4CC[NH+](C)CC4)c3)c2[nH+]1 ZINC001212710539 1097345820 /nfs/dbraw/zinc/34/58/20/1097345820.db2.gz HQAAFHXBFHXVMM-UHFFFAOYSA-N 2 2 321.428 3.138 20 0 DGADLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001173293030 1097398380 /nfs/dbraw/zinc/39/83/80/1097398380.db2.gz VKLVOQOIOXVRQH-OAHLLOKOSA-N 2 2 322.518 3.391 20 0 DGADLP CCSC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173302021 1097403768 /nfs/dbraw/zinc/40/37/68/1097403768.db2.gz NFNFAGPETRSYIK-AWEZNQCLSA-N 2 2 324.538 3.025 20 0 DGADLP CCSC[C@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001173302021 1097403770 /nfs/dbraw/zinc/40/37/70/1097403770.db2.gz NFNFAGPETRSYIK-AWEZNQCLSA-N 2 2 324.538 3.025 20 0 DGADLP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H](C)C[NH+](C)C)CC2)cc1 ZINC001173782047 1097513193 /nfs/dbraw/zinc/51/31/93/1097513193.db2.gz VZWLGIDKCUZMLA-NXVRBGIVSA-N 2 2 318.461 3.178 20 0 DGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cc[nH+]cc1 ZINC001173882948 1097544759 /nfs/dbraw/zinc/54/47/59/1097544759.db2.gz XPVZQDVKTVCCMN-UHFFFAOYSA-N 2 2 317.190 3.274 20 0 DGADLP CCc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)s1 ZINC001231502930 1097765552 /nfs/dbraw/zinc/76/55/52/1097765552.db2.gz FQZQZCPBWNGDLP-UHFFFAOYSA-N 2 2 322.518 3.386 20 0 DGADLP c1c(C[N@H+]2CCOC[C@H]2Cc2ccccc2)[nH]c2cc[nH+]cc12 ZINC001232017854 1097919537 /nfs/dbraw/zinc/91/95/37/1097919537.db2.gz ZYUJQJJZWOJCIS-GOSISDBHSA-N 2 2 307.397 3.006 20 0 DGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019129 1097919790 /nfs/dbraw/zinc/91/97/90/1097919790.db2.gz WIYYUBAHUFUPCG-SFHVURJKSA-N 2 2 320.396 3.166 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1OC(C)C ZINC001232388489 1098020636 /nfs/dbraw/zinc/02/06/36/1098020636.db2.gz FVEVHSUMQKAPNL-UHFFFAOYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1OC(C)C ZINC001232388489 1098020643 /nfs/dbraw/zinc/02/06/43/1098020643.db2.gz FVEVHSUMQKAPNL-UHFFFAOYSA-N 2 2 308.466 3.256 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC001232465988 1098046138 /nfs/dbraw/zinc/04/61/38/1098046138.db2.gz SMKYXXMLRZLLAZ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC001232465988 1098046144 /nfs/dbraw/zinc/04/61/44/1098046144.db2.gz SMKYXXMLRZLLAZ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP C[N@@H+](Cc1cc(F)ccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232493885 1098059250 /nfs/dbraw/zinc/05/92/50/1098059250.db2.gz FARPIDAYZFREAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1cc(F)ccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232493885 1098059255 /nfs/dbraw/zinc/05/92/55/1098059255.db2.gz FARPIDAYZFREAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cc(F)ccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001232493885 1098059262 /nfs/dbraw/zinc/05/92/62/1098059262.db2.gz FARPIDAYZFREAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cc(F)ccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232493885 1098059266 /nfs/dbraw/zinc/05/92/66/1098059266.db2.gz FARPIDAYZFREAB-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc(F)ccc2N)C2CCCC2)CC1 ZINC001232512760 1098064650 /nfs/dbraw/zinc/06/46/50/1098064650.db2.gz GLZJIWICVOMPGT-UHFFFAOYSA-N 2 2 305.441 3.247 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc(F)ccc2N)C2CCCC2)CC1 ZINC001232512760 1098064655 /nfs/dbraw/zinc/06/46/55/1098064655.db2.gz GLZJIWICVOMPGT-UHFFFAOYSA-N 2 2 305.441 3.247 20 0 DGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175504041 1098073697 /nfs/dbraw/zinc/07/36/97/1098073697.db2.gz XEDMBPUWLXGXSP-IRXDYDNUSA-N 2 2 320.481 3.065 20 0 DGADLP CC(=O)Nc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505314 1098074840 /nfs/dbraw/zinc/07/48/40/1098074840.db2.gz URWOZXYOCDQKON-UHFFFAOYSA-N 2 2 322.412 3.242 20 0 DGADLP CC(=O)Nc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505314 1098074844 /nfs/dbraw/zinc/07/48/44/1098074844.db2.gz URWOZXYOCDQKON-UHFFFAOYSA-N 2 2 322.412 3.242 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)c1 ZINC001232987328 1098193383 /nfs/dbraw/zinc/19/33/83/1098193383.db2.gz TVAXCTRDLMRBFO-UHFFFAOYSA-N 2 2 323.440 3.290 20 0 DGADLP [NH3+]Cc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001175966199 1098213711 /nfs/dbraw/zinc/21/37/11/1098213711.db2.gz IXCFKUQFWQNNER-UHFFFAOYSA-N 2 2 317.190 3.299 20 0 DGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C[NH3+])cc1 ZINC001175967687 1098214940 /nfs/dbraw/zinc/21/49/40/1098214940.db2.gz UVLKICZOWYYUGX-UHFFFAOYSA-N 2 2 323.400 3.041 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(O)c1F ZINC001233056770 1098215509 /nfs/dbraw/zinc/21/55/09/1098215509.db2.gz HWEBIMCKTCVYLQ-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1F ZINC001233056770 1098215514 /nfs/dbraw/zinc/21/55/14/1098215514.db2.gz HWEBIMCKTCVYLQ-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1F ZINC001233056770 1098215519 /nfs/dbraw/zinc/21/55/19/1098215519.db2.gz HWEBIMCKTCVYLQ-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(C)[nH+]c(C)c1 ZINC001176052500 1098251555 /nfs/dbraw/zinc/25/15/55/1098251555.db2.gz QJORXRIEVRGPDI-UHFFFAOYSA-N 2 2 323.400 3.016 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc(F)c(F)cc2N)C2CCCC2)CC1 ZINC001233382832 1098311498 /nfs/dbraw/zinc/31/14/98/1098311498.db2.gz KZOVAOMDTURARN-UHFFFAOYSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc(F)c(F)cc2N)C2CCCC2)CC1 ZINC001233382832 1098311505 /nfs/dbraw/zinc/31/15/05/1098311505.db2.gz KZOVAOMDTURARN-UHFFFAOYSA-N 2 2 323.431 3.386 20 0 DGADLP Cc1cc(C)c(Nc2ccc(OCCC[NH+](C)C)nc2)c[nH+]1 ZINC001176354420 1098329803 /nfs/dbraw/zinc/32/98/03/1098329803.db2.gz PKXOEWHGOGELSK-UHFFFAOYSA-N 2 2 300.406 3.168 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001176563499 1098387744 /nfs/dbraw/zinc/38/77/44/1098387744.db2.gz YSBVELKHMPOHDN-UHFFFAOYSA-N 2 2 313.449 3.179 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001176563499 1098387747 /nfs/dbraw/zinc/38/77/47/1098387747.db2.gz YSBVELKHMPOHDN-UHFFFAOYSA-N 2 2 313.449 3.179 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001177166351 1098479471 /nfs/dbraw/zinc/47/94/71/1098479471.db2.gz OPIQIDOLRQKAIX-GASCZTMLSA-N 2 2 324.896 3.491 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001177166351 1098479474 /nfs/dbraw/zinc/47/94/74/1098479474.db2.gz OPIQIDOLRQKAIX-GASCZTMLSA-N 2 2 324.896 3.491 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001177166353 1098479747 /nfs/dbraw/zinc/47/97/47/1098479747.db2.gz OPIQIDOLRQKAIX-HUUCEWRRSA-N 2 2 324.896 3.491 20 0 DGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032951 1098480741 /nfs/dbraw/zinc/48/07/41/1098480741.db2.gz ODYGYBMHESLVBV-CYBMUJFWSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032951 1098480743 /nfs/dbraw/zinc/48/07/43/1098480743.db2.gz ODYGYBMHESLVBV-CYBMUJFWSA-N 2 2 321.371 3.358 20 0 DGADLP c1csc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC001177132311 1098481301 /nfs/dbraw/zinc/48/13/01/1098481301.db2.gz FVKRKCAYMXEWBB-UHFFFAOYSA-N 2 2 301.459 3.419 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2cccs2)n1 ZINC001177231280 1098498702 /nfs/dbraw/zinc/49/87/02/1098498702.db2.gz JIJQQKVTPXCTDO-NSHDSACASA-N 2 2 304.444 3.246 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001177471280 1098536179 /nfs/dbraw/zinc/53/61/79/1098536179.db2.gz NIEWKUHETDCKQB-QAPCUYQASA-N 2 2 317.408 3.305 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@H+](CCC(=O)OC)C2 ZINC001277865747 1098602636 /nfs/dbraw/zinc/60/26/36/1098602636.db2.gz ZWGPKLJRFPZXHK-KRWDZBQOSA-N 2 2 324.509 3.164 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CCC(=O)OC)C2 ZINC001277865747 1098602640 /nfs/dbraw/zinc/60/26/40/1098602640.db2.gz ZWGPKLJRFPZXHK-KRWDZBQOSA-N 2 2 324.509 3.164 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001177822463 1098608005 /nfs/dbraw/zinc/60/80/05/1098608005.db2.gz KDMCSHJXCQRNNM-ROUUACIJSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001177822463 1098608007 /nfs/dbraw/zinc/60/80/07/1098608007.db2.gz KDMCSHJXCQRNNM-ROUUACIJSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001177795278 1098616968 /nfs/dbraw/zinc/61/69/68/1098616968.db2.gz QTGPLLCWTGCTNX-OAHLLOKOSA-N 2 2 300.450 3.049 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001177795278 1098616971 /nfs/dbraw/zinc/61/69/71/1098616971.db2.gz QTGPLLCWTGCTNX-OAHLLOKOSA-N 2 2 300.450 3.049 20 0 DGADLP CC(C)c1cc(Br)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979337 1098732552 /nfs/dbraw/zinc/73/25/52/1098732552.db2.gz DNFTZTNSQGNLPR-OKILXGFUSA-N 2 2 323.278 3.224 20 0 DGADLP CC(C)c1cc(Br)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979337 1098732561 /nfs/dbraw/zinc/73/25/61/1098732561.db2.gz DNFTZTNSQGNLPR-OKILXGFUSA-N 2 2 323.278 3.224 20 0 DGADLP c1ccc(Oc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234990699 1098736449 /nfs/dbraw/zinc/73/64/49/1098736449.db2.gz DGCCXLITVYKQJO-FQEVSTJZSA-N 2 2 323.440 3.449 20 0 DGADLP c1ccc(Oc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234990699 1098736459 /nfs/dbraw/zinc/73/64/59/1098736459.db2.gz DGCCXLITVYKQJO-FQEVSTJZSA-N 2 2 323.440 3.449 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997208 1098741263 /nfs/dbraw/zinc/74/12/63/1098741263.db2.gz IRHFOSOZOOQZTR-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997208 1098741270 /nfs/dbraw/zinc/74/12/70/1098741270.db2.gz IRHFOSOZOOQZTR-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC001235018050 1098752074 /nfs/dbraw/zinc/75/20/74/1098752074.db2.gz RLGBYKZJSLEWFQ-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC001235018050 1098752085 /nfs/dbraw/zinc/75/20/85/1098752085.db2.gz RLGBYKZJSLEWFQ-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP Brc1cc(C[NH+]2CCCC2)ccc1-n1cc[nH+]c1 ZINC001235021899 1098754678 /nfs/dbraw/zinc/75/46/78/1098754678.db2.gz ZRFGOVWYYHHVEB-UHFFFAOYSA-N 2 2 306.207 3.231 20 0 DGADLP Clc1ccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cn2)cc1 ZINC001235026134 1098757450 /nfs/dbraw/zinc/75/74/50/1098757450.db2.gz KMQDMLCFGWQNJW-UHFFFAOYSA-N 2 2 313.832 3.197 20 0 DGADLP Clc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cn2)cc1 ZINC001235026134 1098757457 /nfs/dbraw/zinc/75/74/57/1098757457.db2.gz KMQDMLCFGWQNJW-UHFFFAOYSA-N 2 2 313.832 3.197 20 0 DGADLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235044791 1098771862 /nfs/dbraw/zinc/77/18/62/1098771862.db2.gz KRFHFUMKRWQNJM-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235044791 1098771873 /nfs/dbraw/zinc/77/18/73/1098771873.db2.gz KRFHFUMKRWQNJM-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP CCCCCCc1csc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235062973 1098777857 /nfs/dbraw/zinc/77/78/57/1098777857.db2.gz NHKJSADVFNXHCN-SFHVURJKSA-N 2 2 321.534 3.008 20 0 DGADLP CCCCCCc1csc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235062973 1098777862 /nfs/dbraw/zinc/77/78/62/1098777862.db2.gz NHKJSADVFNXHCN-SFHVURJKSA-N 2 2 321.534 3.008 20 0 DGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235094360 1098798623 /nfs/dbraw/zinc/79/86/23/1098798623.db2.gz QMDPPWXFVWWQNW-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235094360 1098798630 /nfs/dbraw/zinc/79/86/30/1098798630.db2.gz QMDPPWXFVWWQNW-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001235098134 1098800818 /nfs/dbraw/zinc/80/08/18/1098800818.db2.gz GFTADTUNMWJIAQ-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001235098134 1098800832 /nfs/dbraw/zinc/80/08/32/1098800832.db2.gz GFTADTUNMWJIAQ-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)ccn1 ZINC001235119422 1098820166 /nfs/dbraw/zinc/82/01/66/1098820166.db2.gz JJOURMPQRUDMHG-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)ccn1 ZINC001235119422 1098820171 /nfs/dbraw/zinc/82/01/71/1098820171.db2.gz JJOURMPQRUDMHG-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129119 1098826039 /nfs/dbraw/zinc/82/60/39/1098826039.db2.gz NIAQNXOUJHSBEC-UHFFFAOYSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129119 1098826053 /nfs/dbraw/zinc/82/60/53/1098826053.db2.gz NIAQNXOUJHSBEC-UHFFFAOYSA-N 2 2 310.441 3.103 20 0 DGADLP COc1ccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235167532 1098848635 /nfs/dbraw/zinc/84/86/35/1098848635.db2.gz KQGKLLGYJHVNDZ-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP COc1ccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235167532 1098848645 /nfs/dbraw/zinc/84/86/45/1098848645.db2.gz KQGKLLGYJHVNDZ-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169562 1098852385 /nfs/dbraw/zinc/85/23/85/1098852385.db2.gz BRKUHWOPJMUTPE-LJQANCHMSA-N 2 2 310.445 3.185 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169562 1098852395 /nfs/dbraw/zinc/85/23/95/1098852395.db2.gz BRKUHWOPJMUTPE-LJQANCHMSA-N 2 2 310.445 3.185 20 0 DGADLP c1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001235177315 1098858754 /nfs/dbraw/zinc/85/87/54/1098858754.db2.gz HVYZRWUVEMCEJT-HXUWFJFHSA-N 2 2 313.489 3.395 20 0 DGADLP c1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc(N2CCCC2)c1 ZINC001235177315 1098858765 /nfs/dbraw/zinc/85/87/65/1098858765.db2.gz HVYZRWUVEMCEJT-HXUWFJFHSA-N 2 2 313.489 3.395 20 0 DGADLP Clc1cc2[nH]cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2cn1 ZINC001235180305 1098861570 /nfs/dbraw/zinc/86/15/70/1098861570.db2.gz VGYBUJUOXMZAEP-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1cc2[nH]cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2cn1 ZINC001235180305 1098861584 /nfs/dbraw/zinc/86/15/84/1098861584.db2.gz VGYBUJUOXMZAEP-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP COc1cc(Cl)cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189249 1098865405 /nfs/dbraw/zinc/86/54/05/1098865405.db2.gz FHKFMGIGLPPVAX-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(Cl)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189249 1098865412 /nfs/dbraw/zinc/86/54/12/1098865412.db2.gz FHKFMGIGLPPVAX-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)n1)C2 ZINC001235244483 1098918757 /nfs/dbraw/zinc/91/87/57/1098918757.db2.gz FAYOCAQTFCUQOQ-DNVCBOLYSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)n1)C2 ZINC001235244483 1098918767 /nfs/dbraw/zinc/91/87/67/1098918767.db2.gz FAYOCAQTFCUQOQ-DNVCBOLYSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3F)nc1)C2 ZINC001235248027 1098920047 /nfs/dbraw/zinc/92/00/47/1098920047.db2.gz LLHJPKHMHIZVGN-DNVCBOLYSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3F)nc1)C2 ZINC001235248027 1098920057 /nfs/dbraw/zinc/92/00/57/1098920057.db2.gz LLHJPKHMHIZVGN-DNVCBOLYSA-N 2 2 311.404 3.201 20 0 DGADLP S=C1C=COC1C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235254229 1098924611 /nfs/dbraw/zinc/92/46/11/1098924611.db2.gz OUHSKWRJCHFQSQ-CRAIPNDOSA-N 2 2 314.454 3.290 20 0 DGADLP S=C1C=COC1C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235254229 1098924617 /nfs/dbraw/zinc/92/46/17/1098924617.db2.gz OUHSKWRJCHFQSQ-CRAIPNDOSA-N 2 2 314.454 3.290 20 0 DGADLP c1cc2n(c1C[N@@H+]1CCC[C@]13C[NH2+]C[C@@H]3c1ccccc1)CCC2 ZINC001235253361 1098925259 /nfs/dbraw/zinc/92/52/59/1098925259.db2.gz HIDSXJMLXTZBQI-NHCUHLMSSA-N 2 2 321.468 3.156 20 0 DGADLP c1cc2n(c1C[N@H+]1CCC[C@]13C[NH2+]C[C@@H]3c1ccccc1)CCC2 ZINC001235253361 1098925264 /nfs/dbraw/zinc/92/52/64/1098925264.db2.gz HIDSXJMLXTZBQI-NHCUHLMSSA-N 2 2 321.468 3.156 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC001235253737 1098925285 /nfs/dbraw/zinc/92/52/85/1098925285.db2.gz FZHNSJCADMRREM-AUUYWEPGSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC001235253737 1098925296 /nfs/dbraw/zinc/92/52/96/1098925296.db2.gz FZHNSJCADMRREM-AUUYWEPGSA-N 2 2 314.379 3.426 20 0 DGADLP CCc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001235257217 1098929695 /nfs/dbraw/zinc/92/96/95/1098929695.db2.gz FVQLXDOWYYLKEF-OALUTQOASA-N 2 2 321.468 3.208 20 0 DGADLP Cn1c2ccccc2c(C[N@@H+]2CC[C@H]([NH3+])C2)c1-c1ccccc1 ZINC001235361627 1098979586 /nfs/dbraw/zinc/97/95/86/1098979586.db2.gz ISCMBLRWNUFYPX-INIZCTEOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1c2ccccc2c(C[N@H+]2CC[C@H]([NH3+])C2)c1-c1ccccc1 ZINC001235361627 1098979595 /nfs/dbraw/zinc/97/95/95/1098979595.db2.gz ISCMBLRWNUFYPX-INIZCTEOSA-N 2 2 305.425 3.378 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400149 1098995039 /nfs/dbraw/zinc/99/50/39/1098995039.db2.gz CJROJRAOGCTWJD-RDJZCZTQSA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400149 1098995046 /nfs/dbraw/zinc/99/50/46/1098995046.db2.gz CJROJRAOGCTWJD-RDJZCZTQSA-N 2 2 310.844 3.480 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403238 1098999631 /nfs/dbraw/zinc/99/96/31/1098999631.db2.gz KNIJPQLKGULDLX-IRXDYDNUSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403238 1098999636 /nfs/dbraw/zinc/99/96/36/1098999636.db2.gz KNIJPQLKGULDLX-IRXDYDNUSA-N 2 2 321.827 3.345 20 0 DGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403253 1098999705 /nfs/dbraw/zinc/99/97/05/1098999705.db2.gz ZXDBRNPXNHIEPD-IRXDYDNUSA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403253 1098999717 /nfs/dbraw/zinc/99/97/17/1098999717.db2.gz ZXDBRNPXNHIEPD-IRXDYDNUSA-N 2 2 306.356 3.095 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403231 1099000189 /nfs/dbraw/zinc/00/01/89/1099000189.db2.gz KNIJPQLKGULDLX-DLBZAZTESA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403231 1099000202 /nfs/dbraw/zinc/00/02/02/1099000202.db2.gz KNIJPQLKGULDLX-DLBZAZTESA-N 2 2 321.827 3.345 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235407334 1099004416 /nfs/dbraw/zinc/00/44/16/1099004416.db2.gz RICXRUWZSULHJN-PKOBYXMFSA-N 2 2 320.452 3.387 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235407334 1099004430 /nfs/dbraw/zinc/00/44/30/1099004430.db2.gz RICXRUWZSULHJN-PKOBYXMFSA-N 2 2 320.452 3.387 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1sc2ccccc2c1Br ZINC001235435574 1099035592 /nfs/dbraw/zinc/03/55/92/1099035592.db2.gz QKMPPNRBPMRHGI-UHFFFAOYSA-N 2 2 313.264 3.444 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1sc2ccccc2c1Br ZINC001235435574 1099035601 /nfs/dbraw/zinc/03/56/01/1099035601.db2.gz QKMPPNRBPMRHGI-UHFFFAOYSA-N 2 2 313.264 3.444 20 0 DGADLP COCC[N@H+](Cc1cc(C)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001235529984 1099078389 /nfs/dbraw/zinc/07/83/89/1099078389.db2.gz OQMQQRMNHRTVNX-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP COCC[N@@H+](Cc1cc(C)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001235529984 1099078402 /nfs/dbraw/zinc/07/84/02/1099078402.db2.gz OQMQQRMNHRTVNX-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP c1ccc(COc2cccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235710532 1099139811 /nfs/dbraw/zinc/13/98/11/1099139811.db2.gz AEDLGLGCRPWGCF-UHFFFAOYSA-N 2 2 322.452 3.451 20 0 DGADLP c1ccc(COc2cccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235710532 1099139814 /nfs/dbraw/zinc/13/98/14/1099139814.db2.gz AEDLGLGCRPWGCF-UHFFFAOYSA-N 2 2 322.452 3.451 20 0 DGADLP C[N@H+](Cc1ccccc1-c1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC001235743842 1099160196 /nfs/dbraw/zinc/16/01/96/1099160196.db2.gz YYXMUWYKGNQJDF-HNNXBMFYSA-N 2 2 302.368 3.426 20 0 DGADLP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC001235743842 1099160204 /nfs/dbraw/zinc/16/02/04/1099160204.db2.gz YYXMUWYKGNQJDF-HNNXBMFYSA-N 2 2 302.368 3.426 20 0 DGADLP COCCC[N@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235805059 1099186949 /nfs/dbraw/zinc/18/69/49/1099186949.db2.gz GNNQUYRXMYSBKQ-MRXNPFEDSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235805059 1099186952 /nfs/dbraw/zinc/18/69/52/1099186952.db2.gz GNNQUYRXMYSBKQ-MRXNPFEDSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2ccc(C)cc12)[C@H]1CCC[NH2+]C1 ZINC001235806498 1099187527 /nfs/dbraw/zinc/18/75/27/1099187527.db2.gz JPSBRHOCSCRDBX-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2ccc(C)cc12)[C@H]1CCC[NH2+]C1 ZINC001235806498 1099187529 /nfs/dbraw/zinc/18/75/29/1099187529.db2.gz JPSBRHOCSCRDBX-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235841636 1099204392 /nfs/dbraw/zinc/20/43/92/1099204392.db2.gz GMNWTUQUOOWMBK-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001235841636 1099204400 /nfs/dbraw/zinc/20/44/00/1099204400.db2.gz GMNWTUQUOOWMBK-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4sc(C)nc4c3)C[C@@H]2C1 ZINC001235855552 1099217492 /nfs/dbraw/zinc/21/74/92/1099217492.db2.gz AOLDYXUETPIFGX-HOTGVXAUSA-N 2 2 315.486 3.378 20 0 DGADLP C[C@H](C[N@H+](C1COC1)C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235928369 1099265300 /nfs/dbraw/zinc/26/53/00/1099265300.db2.gz UOWPZHUQAIAWAK-MRXNPFEDSA-N 2 2 324.468 3.396 20 0 DGADLP C[C@H](C[N@@H+](C1COC1)C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235928369 1099265307 /nfs/dbraw/zinc/26/53/07/1099265307.db2.gz UOWPZHUQAIAWAK-MRXNPFEDSA-N 2 2 324.468 3.396 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2c1 ZINC001235930986 1099266673 /nfs/dbraw/zinc/26/66/73/1099266673.db2.gz YYWMEWFWLYSBRR-CZUORRHYSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2c1 ZINC001235930986 1099266680 /nfs/dbraw/zinc/26/66/80/1099266680.db2.gz YYWMEWFWLYSBRR-CZUORRHYSA-N 2 2 315.848 3.238 20 0 DGADLP Fc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(F)c1C(F)(F)F ZINC001235934640 1099267597 /nfs/dbraw/zinc/26/75/97/1099267597.db2.gz CFGVFZJPECAYQL-GHMZBOCLSA-N 2 2 320.305 3.025 20 0 DGADLP Fc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(F)c1C(F)(F)F ZINC001235934640 1099267602 /nfs/dbraw/zinc/26/76/02/1099267602.db2.gz CFGVFZJPECAYQL-GHMZBOCLSA-N 2 2 320.305 3.025 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc12 ZINC001235935395 1099270813 /nfs/dbraw/zinc/27/08/13/1099270813.db2.gz DOJZVLYAXXLWIW-HOCLYGCPSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc12 ZINC001235935395 1099270822 /nfs/dbraw/zinc/27/08/22/1099270822.db2.gz DOJZVLYAXXLWIW-HOCLYGCPSA-N 2 2 315.848 3.238 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235937537 1099272032 /nfs/dbraw/zinc/27/20/32/1099272032.db2.gz INGHWPMKIAUZGP-DZGCQCFKSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235937537 1099272039 /nfs/dbraw/zinc/27/20/39/1099272039.db2.gz INGHWPMKIAUZGP-DZGCQCFKSA-N 2 2 308.853 3.169 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235958170 1099289235 /nfs/dbraw/zinc/28/92/35/1099289235.db2.gz XLBWHGHZWWRMRV-GFCCVEGCSA-N 2 2 316.367 3.145 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235958170 1099289243 /nfs/dbraw/zinc/28/92/43/1099289243.db2.gz XLBWHGHZWWRMRV-GFCCVEGCSA-N 2 2 316.367 3.145 20 0 DGADLP CC[N@H+](Cc1cc(C)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236005051 1099324077 /nfs/dbraw/zinc/32/40/77/1099324077.db2.gz AKEDGLHUGXOACZ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1cc(C)cc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236005051 1099324090 /nfs/dbraw/zinc/32/40/90/1099324090.db2.gz AKEDGLHUGXOACZ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC(C)Oc1cc(F)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(F)c1 ZINC001236007277 1099328521 /nfs/dbraw/zinc/32/85/21/1099328521.db2.gz VFGSBARYGBHHNL-UHFFFAOYSA-N 2 2 324.415 3.328 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(-c3cnc(Cl)c(F)c3)cc1)C2 ZINC001236022341 1099339059 /nfs/dbraw/zinc/33/90/59/1099339059.db2.gz AAZXRCMDTHKHMP-YOEHRIQHSA-N 2 2 317.795 3.074 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(-c3cnc(Cl)c(F)c3)cc1)C2 ZINC001236022341 1099339069 /nfs/dbraw/zinc/33/90/69/1099339069.db2.gz AAZXRCMDTHKHMP-YOEHRIQHSA-N 2 2 317.795 3.074 20 0 DGADLP Fc1ccc(OCC2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236045471 1099347132 /nfs/dbraw/zinc/34/71/32/1099347132.db2.gz UJPOSPPLCMOWOB-QGZVFWFLSA-N 2 2 306.425 3.059 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051294 1099353461 /nfs/dbraw/zinc/35/34/61/1099353461.db2.gz LTOIIJUAQLFWMB-APWZRJJASA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051294 1099353474 /nfs/dbraw/zinc/35/34/74/1099353474.db2.gz LTOIIJUAQLFWMB-APWZRJJASA-N 2 2 310.441 3.435 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@@H](C)C[C@H]([NH3+])C3)c2c1 ZINC001236052314 1099355251 /nfs/dbraw/zinc/35/52/51/1099355251.db2.gz QCNKDFXGKPGQFT-ZFWWWQNUSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@@H](C)C[C@H]([NH3+])C3)c2c1 ZINC001236052314 1099355259 /nfs/dbraw/zinc/35/52/59/1099355259.db2.gz QCNKDFXGKPGQFT-ZFWWWQNUSA-N 2 2 314.429 3.026 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059455 1099359280 /nfs/dbraw/zinc/35/92/80/1099359280.db2.gz ICFKEKNTRRUXIK-ZFWWWQNUSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059455 1099359292 /nfs/dbraw/zinc/35/92/92/1099359292.db2.gz ICFKEKNTRRUXIK-ZFWWWQNUSA-N 2 2 312.379 3.322 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CO1 ZINC001236124414 1099412428 /nfs/dbraw/zinc/41/24/28/1099412428.db2.gz MNPRJWZIVCUQDJ-BBRMVZONSA-N 2 2 310.388 3.216 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CO1 ZINC001236124414 1099412430 /nfs/dbraw/zinc/41/24/30/1099412430.db2.gz MNPRJWZIVCUQDJ-BBRMVZONSA-N 2 2 310.388 3.216 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001236143414 1099429430 /nfs/dbraw/zinc/42/94/30/1099429430.db2.gz JHLDKBCKBGFOAU-UHFFFAOYSA-N 2 2 301.409 3.374 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(F)cc2)cc1 ZINC001236143414 1099429437 /nfs/dbraw/zinc/42/94/37/1099429437.db2.gz JHLDKBCKBGFOAU-UHFFFAOYSA-N 2 2 301.409 3.374 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cc(Br)c2ccccc2c1 ZINC001236144868 1099431277 /nfs/dbraw/zinc/43/12/77/1099431277.db2.gz QJKGDUSYPPWAOJ-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cc(Br)c2ccccc2c1 ZINC001236144868 1099431281 /nfs/dbraw/zinc/43/12/81/1099431281.db2.gz QJKGDUSYPPWAOJ-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1Br ZINC001236207679 1099463579 /nfs/dbraw/zinc/46/35/79/1099463579.db2.gz PENWBCFQCSKJEV-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1Br ZINC001236207679 1099463585 /nfs/dbraw/zinc/46/35/85/1099463585.db2.gz PENWBCFQCSKJEV-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214038 1099469379 /nfs/dbraw/zinc/46/93/79/1099469379.db2.gz DHHPBLSTAFLDKG-QWHCGFSZSA-N 2 2 302.340 3.129 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214038 1099469385 /nfs/dbraw/zinc/46/93/85/1099469385.db2.gz DHHPBLSTAFLDKG-QWHCGFSZSA-N 2 2 302.340 3.129 20 0 DGADLP C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218801 1099475793 /nfs/dbraw/zinc/47/57/93/1099475793.db2.gz UCXDUMQVJZMCKH-STQMWFEESA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218801 1099475804 /nfs/dbraw/zinc/47/58/04/1099475804.db2.gz UCXDUMQVJZMCKH-STQMWFEESA-N 2 2 302.340 3.113 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1OCC1CC1 ZINC001236218826 1099476063 /nfs/dbraw/zinc/47/60/63/1099476063.db2.gz UDJOERJYYVBLJI-SJORKVTESA-N 2 2 318.461 3.186 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1OCC1CC1 ZINC001236218826 1099476071 /nfs/dbraw/zinc/47/60/71/1099476071.db2.gz UDJOERJYYVBLJI-SJORKVTESA-N 2 2 318.461 3.186 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218305 1099476215 /nfs/dbraw/zinc/47/62/15/1099476215.db2.gz RXBICRHJOIAJPL-RBUKOAKNSA-N 3 2 313.489 3.390 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc21 ZINC001236218305 1099476218 /nfs/dbraw/zinc/47/62/18/1099476218.db2.gz RXBICRHJOIAJPL-RBUKOAKNSA-N 3 2 313.489 3.390 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC001236219665 1099478478 /nfs/dbraw/zinc/47/84/78/1099478478.db2.gz XGCPZFFZXKLSTC-ZIAGYGMSSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC001236219665 1099478484 /nfs/dbraw/zinc/47/84/84/1099478484.db2.gz XGCPZFFZXKLSTC-ZIAGYGMSSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1F)C1(C)CC[NH2+]CC1 ZINC001236224692 1099481918 /nfs/dbraw/zinc/48/19/18/1099481918.db2.gz VLFFRVAYILOBRQ-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1F)C1(C)CC[NH2+]CC1 ZINC001236224692 1099481925 /nfs/dbraw/zinc/48/19/25/1099481925.db2.gz VLFFRVAYILOBRQ-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1F)C1(C)CC[NH2+]CC1 ZINC001236226812 1099483352 /nfs/dbraw/zinc/48/33/52/1099483352.db2.gz UJYOAPKAESIQIU-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1F)C1(C)CC[NH2+]CC1 ZINC001236226812 1099483356 /nfs/dbraw/zinc/48/33/56/1099483356.db2.gz UJYOAPKAESIQIU-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP COCC[N@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001236330925 1099542228 /nfs/dbraw/zinc/54/22/28/1099542228.db2.gz OOCSCNGFBLXPNQ-HNNXBMFYSA-N 2 2 304.459 3.102 20 0 DGADLP COCC[N@@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001236330925 1099542240 /nfs/dbraw/zinc/54/22/40/1099542240.db2.gz OOCSCNGFBLXPNQ-HNNXBMFYSA-N 2 2 304.459 3.102 20 0 DGADLP Oc1cc(F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376862 1099564268 /nfs/dbraw/zinc/56/42/68/1099564268.db2.gz UZFITWOOPBKCDV-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1cc(F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376862 1099564272 /nfs/dbraw/zinc/56/42/72/1099564272.db2.gz UZFITWOOPBKCDV-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410884 1099586301 /nfs/dbraw/zinc/58/63/01/1099586301.db2.gz LBUSEUHBGSGQLJ-SNVBAGLBSA-N 2 2 322.321 3.415 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410884 1099586313 /nfs/dbraw/zinc/58/63/13/1099586313.db2.gz LBUSEUHBGSGQLJ-SNVBAGLBSA-N 2 2 322.321 3.415 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)c2c1 ZINC001236419202 1099594437 /nfs/dbraw/zinc/59/44/37/1099594437.db2.gz KZAZGYFKWQVHLA-FZKQIMNGSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)c2c1 ZINC001236419202 1099594447 /nfs/dbraw/zinc/59/44/47/1099594447.db2.gz KZAZGYFKWQVHLA-FZKQIMNGSA-N 2 2 314.429 3.169 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236432601 1099607872 /nfs/dbraw/zinc/60/78/72/1099607872.db2.gz AOCBTWFEXNYLFZ-IBGZPJMESA-N 2 2 316.420 3.500 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236432601 1099607876 /nfs/dbraw/zinc/60/78/76/1099607876.db2.gz AOCBTWFEXNYLFZ-IBGZPJMESA-N 2 2 316.420 3.500 20 0 DGADLP CC(C)(C)C[N@H+](Cc1cc(O)c(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236457762 1099620584 /nfs/dbraw/zinc/62/05/84/1099620584.db2.gz QFAQLUZMLNJBFZ-UHFFFAOYSA-N 2 2 312.404 3.271 20 0 DGADLP CC(C)(C)C[N@@H+](Cc1cc(O)c(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236457762 1099620591 /nfs/dbraw/zinc/62/05/91/1099620591.db2.gz QFAQLUZMLNJBFZ-UHFFFAOYSA-N 2 2 312.404 3.271 20 0 DGADLP CCOc1cc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(F)cn1 ZINC001236459823 1099622542 /nfs/dbraw/zinc/62/25/42/1099622542.db2.gz ZSAVOJPFUKGVGM-UHFFFAOYSA-N 2 2 323.456 3.220 20 0 DGADLP CCOc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(F)cn1 ZINC001236459823 1099622548 /nfs/dbraw/zinc/62/25/48/1099622548.db2.gz ZSAVOJPFUKGVGM-UHFFFAOYSA-N 2 2 323.456 3.220 20 0 DGADLP COc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC001236469582 1099630610 /nfs/dbraw/zinc/63/06/10/1099630610.db2.gz ZAZOWYSEEVAWGI-QGZVFWFLSA-N 2 2 320.477 3.445 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC001236469582 1099630614 /nfs/dbraw/zinc/63/06/14/1099630614.db2.gz ZAZOWYSEEVAWGI-QGZVFWFLSA-N 2 2 320.477 3.445 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236521581 1099657233 /nfs/dbraw/zinc/65/72/33/1099657233.db2.gz FXMYHZWQEJGXPQ-KRWDZBQOSA-N 2 2 306.494 3.415 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236521581 1099657245 /nfs/dbraw/zinc/65/72/45/1099657245.db2.gz FXMYHZWQEJGXPQ-KRWDZBQOSA-N 2 2 306.494 3.415 20 0 DGADLP CC(C)[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@H]1CC[NH2+]C1 ZINC001236528702 1099663525 /nfs/dbraw/zinc/66/35/25/1099663525.db2.gz FSTBXBKQUZGCGG-KRWDZBQOSA-N 2 2 313.420 3.460 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@H]1CC[NH2+]C1 ZINC001236528702 1099663528 /nfs/dbraw/zinc/66/35/28/1099663528.db2.gz FSTBXBKQUZGCGG-KRWDZBQOSA-N 2 2 313.420 3.460 20 0 DGADLP CC(C)[N@H+](Cc1cccc(-c2nccs2)c1)[C@H]1CC[NH2+]C1 ZINC001236528729 1099663702 /nfs/dbraw/zinc/66/37/02/1099663702.db2.gz IDRKGTINTBXWDO-INIZCTEOSA-N 2 2 301.459 3.382 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(-c2nccs2)c1)[C@H]1CC[NH2+]C1 ZINC001236528729 1099663704 /nfs/dbraw/zinc/66/37/04/1099663704.db2.gz IDRKGTINTBXWDO-INIZCTEOSA-N 2 2 301.459 3.382 20 0 DGADLP CC(C)Oc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccn1 ZINC001236559916 1099678925 /nfs/dbraw/zinc/67/89/25/1099678925.db2.gz BCWYYDLJZAOTQE-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccn1 ZINC001236559916 1099678932 /nfs/dbraw/zinc/67/89/32/1099678932.db2.gz BCWYYDLJZAOTQE-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CCc1sc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1Br ZINC001236605423 1099700227 /nfs/dbraw/zinc/70/02/27/1099700227.db2.gz SWYGFKZROJRAJZ-CYBMUJFWSA-N 2 2 317.296 3.244 20 0 DGADLP CCc1sc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1Br ZINC001236605423 1099700233 /nfs/dbraw/zinc/70/02/33/1099700233.db2.gz SWYGFKZROJRAJZ-CYBMUJFWSA-N 2 2 317.296 3.244 20 0 DGADLP Cc1c(C)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1Br ZINC001236615052 1099705028 /nfs/dbraw/zinc/70/50/28/1099705028.db2.gz DBGBFIOWSWQROO-OAHLLOKOSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1c(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1Br ZINC001236615052 1099705032 /nfs/dbraw/zinc/70/50/32/1099705032.db2.gz DBGBFIOWSWQROO-OAHLLOKOSA-N 2 2 311.267 3.237 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236617831 1099707751 /nfs/dbraw/zinc/70/77/51/1099707751.db2.gz AWYRSBQVGIUKLV-UHFFFAOYSA-N 2 2 306.425 3.067 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236617831 1099707756 /nfs/dbraw/zinc/70/77/56/1099707756.db2.gz AWYRSBQVGIUKLV-UHFFFAOYSA-N 2 2 306.425 3.067 20 0 DGADLP CCOc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1F ZINC001236636696 1099715167 /nfs/dbraw/zinc/71/51/67/1099715167.db2.gz HWHSETKUYDVDMY-UHFFFAOYSA-N 2 2 324.415 3.470 20 0 DGADLP CCOc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1F ZINC001236636696 1099715177 /nfs/dbraw/zinc/71/51/77/1099715177.db2.gz HWHSETKUYDVDMY-UHFFFAOYSA-N 2 2 324.415 3.470 20 0 DGADLP COc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649013 1099721130 /nfs/dbraw/zinc/72/11/30/1099721130.db2.gz VDYPXUZADNOULR-INIZCTEOSA-N 2 2 306.425 3.331 20 0 DGADLP COc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649013 1099721140 /nfs/dbraw/zinc/72/11/40/1099721140.db2.gz VDYPXUZADNOULR-INIZCTEOSA-N 2 2 306.425 3.331 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236754525 1099772671 /nfs/dbraw/zinc/77/26/71/1099772671.db2.gz HGCZOBDYGAJMJI-FHWLQOOXSA-N 3 2 307.526 3.281 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236754525 1099772676 /nfs/dbraw/zinc/77/26/76/1099772676.db2.gz HGCZOBDYGAJMJI-FHWLQOOXSA-N 3 2 307.526 3.281 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(F)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843744 1099828312 /nfs/dbraw/zinc/82/83/12/1099828312.db2.gz QQHTVDXPZCWYGC-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(F)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236843744 1099828322 /nfs/dbraw/zinc/82/83/22/1099828322.db2.gz QQHTVDXPZCWYGC-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cc(Br)ccc12 ZINC001236871081 1099844702 /nfs/dbraw/zinc/84/47/02/1099844702.db2.gz XBTUFSUISNKDHQ-LBPRGKRZSA-N 2 2 310.239 3.100 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cc(Br)ccc12 ZINC001236871081 1099844712 /nfs/dbraw/zinc/84/47/12/1099844712.db2.gz XBTUFSUISNKDHQ-LBPRGKRZSA-N 2 2 310.239 3.100 20 0 DGADLP CC[N@@H+]1CCCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904771 1099865373 /nfs/dbraw/zinc/86/53/73/1099865373.db2.gz VHMDDIRRAGBHLQ-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP CC[N@H+]1CCCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904771 1099865378 /nfs/dbraw/zinc/86/53/78/1099865378.db2.gz VHMDDIRRAGBHLQ-UHFFFAOYSA-N 2 2 318.852 3.053 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1CO ZINC001236902470 1099865459 /nfs/dbraw/zinc/86/54/59/1099865459.db2.gz FEZJKDXCVIRKTA-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H]1CO ZINC001236902470 1099865468 /nfs/dbraw/zinc/86/54/68/1099865468.db2.gz FEZJKDXCVIRKTA-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914103 1099874204 /nfs/dbraw/zinc/87/42/04/1099874204.db2.gz QEIODGRLJLNEAA-ZIAGYGMSSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1CO ZINC001236912584 1099874228 /nfs/dbraw/zinc/87/42/28/1099874228.db2.gz AETWWEWIFKPUIQ-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@H]1CO ZINC001236912584 1099874235 /nfs/dbraw/zinc/87/42/35/1099874235.db2.gz AETWWEWIFKPUIQ-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@H]1O ZINC001236913250 1099874420 /nfs/dbraw/zinc/87/44/20/1099874420.db2.gz JPSVTPKLLRWTFW-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC(C)(C)O ZINC001236916419 1099877755 /nfs/dbraw/zinc/87/77/55/1099877755.db2.gz MWJQWUOYYBREKR-UHFFFAOYSA-N 2 2 307.825 3.119 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC(C)(C)O ZINC001236916419 1099877762 /nfs/dbraw/zinc/87/77/62/1099877762.db2.gz MWJQWUOYYBREKR-UHFFFAOYSA-N 2 2 307.825 3.119 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@H]1CC[NH2+]C1 ZINC001236945952 1099884692 /nfs/dbraw/zinc/88/46/92/1099884692.db2.gz IUYHZSGBRPNPTH-HNNXBMFYSA-N 2 2 321.852 3.022 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@H]1CC[NH2+]C1 ZINC001236945952 1099884702 /nfs/dbraw/zinc/88/47/02/1099884702.db2.gz IUYHZSGBRPNPTH-HNNXBMFYSA-N 2 2 321.852 3.022 20 0 DGADLP C[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000156622013 1099960253 /nfs/dbraw/zinc/96/02/53/1099960253.db2.gz KSGSIHVQSNLBNA-FUHWJXTLSA-N 2 2 301.478 3.462 20 0 DGADLP Clc1cnc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237143914 1099992848 /nfs/dbraw/zinc/99/28/48/1099992848.db2.gz HQEBSNLSJPBXBL-OAHLLOKOSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1cnc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237143914 1099992852 /nfs/dbraw/zinc/99/28/52/1099992852.db2.gz HQEBSNLSJPBXBL-OAHLLOKOSA-N 2 2 318.852 3.323 20 0 DGADLP C[C@@H](C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12)C(F)(F)F ZINC001237275048 1100054410 /nfs/dbraw/zinc/05/44/10/1100054410.db2.gz JPDDSHUITKJOCO-ZDUSSCGKSA-N 2 2 312.379 3.322 20 0 DGADLP CN(C)c1ccccc1C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237367315 1100096666 /nfs/dbraw/zinc/09/66/66/1100096666.db2.gz XTRURKMDGKMPAJ-UHFFFAOYSA-N 2 2 321.468 3.347 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)(F)F ZINC001237380237 1100097976 /nfs/dbraw/zinc/09/79/76/1100097976.db2.gz GKPFRAFHNFFUCQ-WFASDCNBSA-N 2 2 316.342 3.418 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)(F)F ZINC001237380237 1100097986 /nfs/dbraw/zinc/09/79/86/1100097986.db2.gz GKPFRAFHNFFUCQ-WFASDCNBSA-N 2 2 316.342 3.418 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237415512 1100120409 /nfs/dbraw/zinc/12/04/09/1100120409.db2.gz PVVKKTPFDZNYDM-UHFFFAOYSA-N 2 2 319.493 3.445 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237415512 1100120414 /nfs/dbraw/zinc/12/04/14/1100120414.db2.gz PVVKKTPFDZNYDM-UHFFFAOYSA-N 2 2 319.493 3.445 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCCC34COC4)cc21 ZINC001237880925 1100279805 /nfs/dbraw/zinc/27/98/05/1100279805.db2.gz LOOFZCOEXHMNIN-UHFFFAOYSA-N 2 2 312.457 3.443 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCCC34COC4)cc21 ZINC001237880925 1100279808 /nfs/dbraw/zinc/27/98/08/1100279808.db2.gz LOOFZCOEXHMNIN-UHFFFAOYSA-N 2 2 312.457 3.443 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237884638 1100281589 /nfs/dbraw/zinc/28/15/89/1100281589.db2.gz CUHLIGXXAYEKTQ-QGZVFWFLSA-N 2 2 300.446 3.299 20 0 DGADLP CC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237884638 1100281595 /nfs/dbraw/zinc/28/15/95/1100281595.db2.gz CUHLIGXXAYEKTQ-QGZVFWFLSA-N 2 2 300.446 3.299 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001238109851 1100364613 /nfs/dbraw/zinc/36/46/13/1100364613.db2.gz LGRBCMXNXNFVKC-IBGZPJMESA-N 2 2 307.397 3.125 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001238109851 1100364620 /nfs/dbraw/zinc/36/46/20/1100364620.db2.gz LGRBCMXNXNFVKC-IBGZPJMESA-N 2 2 307.397 3.125 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001240035202 1100842127 /nfs/dbraw/zinc/84/21/27/1100842127.db2.gz MXPFQYMQICKQLD-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001240035202 1100842132 /nfs/dbraw/zinc/84/21/32/1100842132.db2.gz MXPFQYMQICKQLD-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(N4CCCC4)cc3)c2)C1 ZINC001240591125 1101063855 /nfs/dbraw/zinc/06/38/55/1101063855.db2.gz DDNMDYRBGBITBP-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(N4CCCC4)cc3)c2)C1 ZINC001240591125 1101063859 /nfs/dbraw/zinc/06/38/59/1101063859.db2.gz DDNMDYRBGBITBP-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP CC(C)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001240810635 1101145753 /nfs/dbraw/zinc/14/57/53/1101145753.db2.gz CRVMMADIZATHCJ-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001240810635 1101145756 /nfs/dbraw/zinc/14/57/56/1101145756.db2.gz CRVMMADIZATHCJ-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001240811128 1101145875 /nfs/dbraw/zinc/14/58/75/1101145875.db2.gz NEJMNMDTARHZBX-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001240811128 1101145881 /nfs/dbraw/zinc/14/58/81/1101145881.db2.gz NEJMNMDTARHZBX-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP C[NH+]1CCN(c2ccc(-c3cc[nH+]c(N4CCCC4)c3)cc2)CC1 ZINC001240851355 1101156698 /nfs/dbraw/zinc/15/66/98/1101156698.db2.gz BYFSEOYQIRFVAH-UHFFFAOYSA-N 2 2 322.456 3.101 20 0 DGADLP Cc1c[nH]c2ncc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001240963239 1101198959 /nfs/dbraw/zinc/19/89/59/1101198959.db2.gz NRTYJROKQDIDEQ-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c[nH]c2ncc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001240963239 1101198965 /nfs/dbraw/zinc/19/89/65/1101198965.db2.gz NRTYJROKQDIDEQ-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205771618 1101284202 /nfs/dbraw/zinc/28/42/02/1101284202.db2.gz UHOGBXSOXHMKOL-HNNXBMFYSA-N 2 2 312.404 3.137 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205771618 1101284204 /nfs/dbraw/zinc/28/42/04/1101284204.db2.gz UHOGBXSOXHMKOL-HNNXBMFYSA-N 2 2 312.404 3.137 20 0 DGADLP CCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)c1 ZINC001241274462 1101340158 /nfs/dbraw/zinc/34/01/58/1101340158.db2.gz QLOVOZRPLCMHOR-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001196934441 1101429137 /nfs/dbraw/zinc/42/91/37/1101429137.db2.gz AELSNDBGOWWFEH-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001196934441 1101429142 /nfs/dbraw/zinc/42/91/42/1101429142.db2.gz AELSNDBGOWWFEH-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001241524121 1101534969 /nfs/dbraw/zinc/53/49/69/1101534969.db2.gz TUKDQFMMCYQKGZ-HNNXBMFYSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001241524121 1101534982 /nfs/dbraw/zinc/53/49/82/1101534982.db2.gz TUKDQFMMCYQKGZ-HNNXBMFYSA-N 2 2 306.413 3.071 20 0 DGADLP C[N@H+]1CCC=C(c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)C1 ZINC001241568519 1101550892 /nfs/dbraw/zinc/55/08/92/1101550892.db2.gz FHTNXMBNOSDMDJ-UHFFFAOYSA-N 2 2 317.396 3.048 20 0 DGADLP C[NH+]1CCC=C(c2ccc(-c3nc4c(o3)CC[N@@H+](C)C4)cc2)C1 ZINC001241572419 1101553943 /nfs/dbraw/zinc/55/39/43/1101553943.db2.gz URNPVSGRFPJFKP-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP C[NH+]1CCC=C(c2ccc(-c3nc4c(o3)CC[N@H+](C)C4)cc2)C1 ZINC001241572419 1101553956 /nfs/dbraw/zinc/55/39/56/1101553956.db2.gz URNPVSGRFPJFKP-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP C[NH+]1CCc2oc(-c3ccc(C4=CCC[N@H+](C)C4)cc3)nc2C1 ZINC001241572419 1101553969 /nfs/dbraw/zinc/55/39/69/1101553969.db2.gz URNPVSGRFPJFKP-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP C[NH+]1CCc2oc(-c3ccc(C4=CCC[N@@H+](C)C4)cc3)nc2C1 ZINC001241572419 1101553980 /nfs/dbraw/zinc/55/39/80/1101553980.db2.gz URNPVSGRFPJFKP-UHFFFAOYSA-N 2 2 309.413 3.048 20 0 DGADLP Cc1n[nH]c2cc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)ccc12 ZINC001241641203 1101603186 /nfs/dbraw/zinc/60/31/86/1101603186.db2.gz KKMQFOSNOLLRFO-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2cc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)ccc12 ZINC001241641203 1101603195 /nfs/dbraw/zinc/60/31/95/1101603195.db2.gz KKMQFOSNOLLRFO-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3ccncc3c2)C1 ZINC001241677360 1101627953 /nfs/dbraw/zinc/62/79/53/1101627953.db2.gz IFNAPWHUWXJUAO-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ccncc3c2)C1 ZINC001241677360 1101627957 /nfs/dbraw/zinc/62/79/57/1101627957.db2.gz IFNAPWHUWXJUAO-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP COc1cc2[nH+]c[nH]c2cc1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242150446 1101941738 /nfs/dbraw/zinc/94/17/38/1101941738.db2.gz JKWRCTKOZBNDIE-UHFFFAOYSA-N 2 2 311.385 3.179 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC001198790942 1101976784 /nfs/dbraw/zinc/97/67/84/1101976784.db2.gz QGSJGPCGVZQRHS-MRXNPFEDSA-N 2 2 312.461 3.455 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC001198790942 1101976794 /nfs/dbraw/zinc/97/67/94/1101976794.db2.gz QGSJGPCGVZQRHS-MRXNPFEDSA-N 2 2 312.461 3.455 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccncc32)C1 ZINC001242372637 1102086786 /nfs/dbraw/zinc/08/67/86/1102086786.db2.gz OTFVSENEMISBMR-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccncc32)C1 ZINC001242372637 1102086802 /nfs/dbraw/zinc/08/68/02/1102086802.db2.gz OTFVSENEMISBMR-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC001199768613 1102209363 /nfs/dbraw/zinc/20/93/63/1102209363.db2.gz CIFZZCVNYTVZJQ-UHFFFAOYSA-N 2 2 317.260 3.194 20 0 DGADLP CC(C)(O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001242625947 1102248742 /nfs/dbraw/zinc/24/87/42/1102248742.db2.gz MAFAIRFZGWTNBJ-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001242625947 1102248754 /nfs/dbraw/zinc/24/87/54/1102248754.db2.gz MAFAIRFZGWTNBJ-LJQANCHMSA-N 2 2 310.441 3.114 20 0 DGADLP C[C@@H]([NH3+])c1cccc(-c2cc(F)ccc2C[NH+]2CCOCC2)c1 ZINC001243101711 1102527176 /nfs/dbraw/zinc/52/71/76/1102527176.db2.gz PMIQTFRWICDTEY-CQSZACIVSA-N 2 2 314.404 3.345 20 0 DGADLP Cc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001201536254 1102627998 /nfs/dbraw/zinc/62/79/98/1102627998.db2.gz PAFZZVILOYZMCU-GOSISDBHSA-N 2 2 310.445 3.142 20 0 DGADLP CCC[C@@H](C)C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001201544367 1102634051 /nfs/dbraw/zinc/63/40/51/1102634051.db2.gz OYZQHCSCBWYXIE-QGZVFWFLSA-N 2 2 317.477 3.189 20 0 DGADLP CCC(CC)C[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001201528612 1102647501 /nfs/dbraw/zinc/64/75/01/1102647501.db2.gz UJLVGISCQYMRPU-UHFFFAOYSA-N 2 2 317.477 3.189 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(OC(F)F)c3)cc2)C1 ZINC001243359477 1102681635 /nfs/dbraw/zinc/68/16/35/1102681635.db2.gz KQDWCPUCDAUPJO-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(OC(F)F)c3)cc2)C1 ZINC001243359477 1102681639 /nfs/dbraw/zinc/68/16/39/1102681639.db2.gz KQDWCPUCDAUPJO-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP CC(C)=CC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201712733 1102697647 /nfs/dbraw/zinc/69/76/47/1102697647.db2.gz SDBBRNQHJXWODJ-UHFFFAOYSA-N 2 2 315.461 3.167 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001243486457 1102751618 /nfs/dbraw/zinc/75/16/18/1102751618.db2.gz JBCAWLGHGRHWCF-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001243486457 1102751629 /nfs/dbraw/zinc/75/16/29/1102751629.db2.gz JBCAWLGHGRHWCF-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP COc1c(F)ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001243510754 1102766730 /nfs/dbraw/zinc/76/67/30/1102766730.db2.gz LSRXCMCQRGSPQT-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001243510754 1102766740 /nfs/dbraw/zinc/76/67/40/1102766740.db2.gz LSRXCMCQRGSPQT-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCC(C)(C)C)CC2 ZINC001202064858 1102809957 /nfs/dbraw/zinc/80/99/57/1102809957.db2.gz CHQHDHLZXGETNP-UHFFFAOYSA-N 2 2 306.498 3.320 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCC(C)(C)C)CC2 ZINC001202064858 1102809974 /nfs/dbraw/zinc/80/99/74/1102809974.db2.gz CHQHDHLZXGETNP-UHFFFAOYSA-N 2 2 306.498 3.320 20 0 DGADLP CSc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)n1 ZINC001243592926 1102835742 /nfs/dbraw/zinc/83/57/42/1102835742.db2.gz ALTLDZBBNOLBJC-OAHLLOKOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c(C)n1 ZINC001243592926 1102835756 /nfs/dbraw/zinc/83/57/56/1102835756.db2.gz ALTLDZBBNOLBJC-OAHLLOKOSA-N 2 2 313.470 3.312 20 0 DGADLP Cc1cc2[nH+]ccn2cc1-c1cccc(N2CC[NH+](C)CC2)c1 ZINC001243670772 1102904866 /nfs/dbraw/zinc/90/48/66/1102904866.db2.gz RLIXUUFIEJFWIW-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(CO)c3Cl)c2)C1 ZINC001243708532 1102930296 /nfs/dbraw/zinc/93/02/96/1102930296.db2.gz VENBRLMBSVRVGH-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(CO)c3Cl)c2)C1 ZINC001243708532 1102930301 /nfs/dbraw/zinc/93/03/01/1102930301.db2.gz VENBRLMBSVRVGH-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001243900305 1103038437 /nfs/dbraw/zinc/03/84/37/1103038437.db2.gz UUXYFRYOKODNHK-GOSISDBHSA-N 2 2 309.413 3.010 20 0 DGADLP Cc1nc2ccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc2o1 ZINC001243965340 1103088792 /nfs/dbraw/zinc/08/87/92/1103088792.db2.gz VRMPHBSNMDLOSA-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1nc2ccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc2o1 ZINC001243965340 1103088806 /nfs/dbraw/zinc/08/88/06/1103088806.db2.gz VRMPHBSNMDLOSA-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001488754805 1103142493 /nfs/dbraw/zinc/14/24/93/1103142493.db2.gz RFPJOMGTUCJMGC-JLZZUVOBSA-N 2 2 317.477 3.151 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001244026562 1103149926 /nfs/dbraw/zinc/14/99/26/1103149926.db2.gz YWTVZDCSTFWNFH-MRXNPFEDSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001244026562 1103149934 /nfs/dbraw/zinc/14/99/34/1103149934.db2.gz YWTVZDCSTFWNFH-MRXNPFEDSA-N 2 2 324.424 3.063 20 0 DGADLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC001138571839 1103204315 /nfs/dbraw/zinc/20/43/15/1103204315.db2.gz ZCFAXIRTOPZRBF-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC001138571839 1103204328 /nfs/dbraw/zinc/20/43/28/1103204328.db2.gz ZCFAXIRTOPZRBF-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3[nH]c(=O)ccc3c2)C1 ZINC001244237657 1103302403 /nfs/dbraw/zinc/30/24/03/1103302403.db2.gz OVIGCBVMECCYND-QGZVFWFLSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3[nH]c(=O)ccc3c2)C1 ZINC001244237657 1103302419 /nfs/dbraw/zinc/30/24/19/1103302419.db2.gz OVIGCBVMECCYND-QGZVFWFLSA-N 2 2 319.408 3.140 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3cnccc3o2)C1 ZINC001326514650 1103349892 /nfs/dbraw/zinc/34/98/92/1103349892.db2.gz KOMFFTITPWWFQK-CQSZACIVSA-N 2 2 310.401 3.016 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC001326514650 1103349908 /nfs/dbraw/zinc/34/99/08/1103349908.db2.gz KOMFFTITPWWFQK-CQSZACIVSA-N 2 2 310.401 3.016 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4[nH]c(=O)ccc43)cc2)C1 ZINC001244320475 1103357671 /nfs/dbraw/zinc/35/76/71/1103357671.db2.gz RBAIHXFDYMHBJR-INIZCTEOSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4[nH]c(=O)ccc43)cc2)C1 ZINC001244320475 1103357685 /nfs/dbraw/zinc/35/76/85/1103357685.db2.gz RBAIHXFDYMHBJR-INIZCTEOSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001206607133 1103396729 /nfs/dbraw/zinc/39/67/29/1103396729.db2.gz WKQQZIJRTHVVTG-HEUOVEHFSA-N 2 2 323.278 3.483 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001206607133 1103396743 /nfs/dbraw/zinc/39/67/43/1103396743.db2.gz WKQQZIJRTHVVTG-HEUOVEHFSA-N 2 2 323.278 3.483 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3O)cc2)C1 ZINC001244471972 1103464095 /nfs/dbraw/zinc/46/40/95/1103464095.db2.gz IKAGVIAKPRSLGG-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3O)cc2)C1 ZINC001244471972 1103464097 /nfs/dbraw/zinc/46/40/97/1103464097.db2.gz IKAGVIAKPRSLGG-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244586065 1103542072 /nfs/dbraw/zinc/54/20/72/1103542072.db2.gz LQLDHGZLUZVNNO-CQSZACIVSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244586065 1103542076 /nfs/dbraw/zinc/54/20/76/1103542076.db2.gz LQLDHGZLUZVNNO-CQSZACIVSA-N 2 2 315.848 3.431 20 0 DGADLP CSCC1(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CC1 ZINC001327284998 1103614678 /nfs/dbraw/zinc/61/46/78/1103614678.db2.gz XHAPSPGJZJRFTN-UHFFFAOYSA-N 2 2 316.430 3.048 20 0 DGADLP CCOc1ccc(C)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001244870730 1103735927 /nfs/dbraw/zinc/73/59/27/1103735927.db2.gz PNPUEXROZNZCJT-UHFFFAOYSA-N 2 2 307.397 3.395 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(Cl)ccc3O)cc2)C1 ZINC001245054173 1103830849 /nfs/dbraw/zinc/83/08/49/1103830849.db2.gz BQHYTVNHBGJJII-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(Cl)ccc3O)cc2)C1 ZINC001245054173 1103830855 /nfs/dbraw/zinc/83/08/55/1103830855.db2.gz BQHYTVNHBGJJII-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP CCn1ncc2cc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)ccc21 ZINC001245236793 1103926150 /nfs/dbraw/zinc/92/61/50/1103926150.db2.gz HJTUKSCSGNEYAL-LJQANCHMSA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)ccc21 ZINC001245236793 1103926158 /nfs/dbraw/zinc/92/61/58/1103926158.db2.gz HJTUKSCSGNEYAL-LJQANCHMSA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC001245237705 1103928099 /nfs/dbraw/zinc/92/80/99/1103928099.db2.gz YGTBEKMPUXRVKG-GOSISDBHSA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC001245237705 1103928103 /nfs/dbraw/zinc/92/81/03/1103928103.db2.gz YGTBEKMPUXRVKG-GOSISDBHSA-N 2 2 320.440 3.256 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354482 1104001392 /nfs/dbraw/zinc/00/13/92/1104001392.db2.gz HLTJLQZVZPBWJK-SFTDATJTSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354482 1104001401 /nfs/dbraw/zinc/00/14/01/1104001401.db2.gz HLTJLQZVZPBWJK-SFTDATJTSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001245356790 1104003936 /nfs/dbraw/zinc/00/39/36/1104003936.db2.gz OTHJIJGBJKOCKP-FPOVZHCZSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001245356790 1104003943 /nfs/dbraw/zinc/00/39/43/1104003943.db2.gz OTHJIJGBJKOCKP-FPOVZHCZSA-N 3 2 321.468 3.311 20 0 DGADLP c1cn(-c2ccc(C3=CC[C@@H]([NH+]4CCOCC4)CC3)cc2)c[nH+]1 ZINC001245422528 1104042124 /nfs/dbraw/zinc/04/21/24/1104042124.db2.gz DDOSQFGREDVIAO-GOSISDBHSA-N 2 2 309.413 3.140 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC001329269342 1104206369 /nfs/dbraw/zinc/20/63/69/1104206369.db2.gz HQCGKJUDRKXWHB-CQSZACIVSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001329269342 1104206376 /nfs/dbraw/zinc/20/63/76/1104206376.db2.gz HQCGKJUDRKXWHB-CQSZACIVSA-N 2 2 319.399 3.196 20 0 DGADLP CCCCC[C@H](O)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001246062207 1104361935 /nfs/dbraw/zinc/36/19/35/1104361935.db2.gz ZGUFCFMZZFICHI-KRWDZBQOSA-N 2 2 302.462 3.022 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246077691 1104371026 /nfs/dbraw/zinc/37/10/26/1104371026.db2.gz UBJDRCWIRQWRKM-QAPCUYQASA-N 2 2 302.368 3.112 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246089804 1104377933 /nfs/dbraw/zinc/37/79/33/1104377933.db2.gz DWQDMXNQCSQUGE-NILFDRSVSA-N 2 2 317.235 3.140 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246092042 1104379508 /nfs/dbraw/zinc/37/95/08/1104379508.db2.gz RRGRYRDYTDMMLU-USWWRNFRSA-N 2 2 320.786 3.229 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246097801 1104384019 /nfs/dbraw/zinc/38/40/19/1104384019.db2.gz NAHVQAGRQICOBZ-PKOBYXMFSA-N 3 2 321.484 3.249 20 0 DGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246104629 1104388941 /nfs/dbraw/zinc/38/89/41/1104388941.db2.gz BKWQREVOCXXKLK-UPJWGTAASA-N 2 2 317.235 3.140 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172104 1104418705 /nfs/dbraw/zinc/41/87/05/1104418705.db2.gz ZETBZXMYXREBQR-BCDXTJNWSA-N 3 2 312.461 3.271 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246197939 1104433814 /nfs/dbraw/zinc/43/38/14/1104433814.db2.gz RPVRAWLOYUVOSJ-LBPRGKRZSA-N 2 2 304.331 3.465 20 0 DGADLP CC[C@H]1CC([NH2+]Cc2c(OC)cccc2OC)C[C@H](CC)[NH2+]1 ZINC001246197030 1104434219 /nfs/dbraw/zinc/43/42/19/1104434219.db2.gz XQLGHJPQANXADJ-KBPBESRZSA-N 2 2 306.450 3.103 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246243601 1104455773 /nfs/dbraw/zinc/45/57/73/1104455773.db2.gz JNQLOSRBZWSFDF-HOJAQTOUSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243601 1104455777 /nfs/dbraw/zinc/45/57/77/1104455777.db2.gz JNQLOSRBZWSFDF-HOJAQTOUSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C(O)(c1ccccc1)c1ccccc1 ZINC001246251801 1104459015 /nfs/dbraw/zinc/45/90/15/1104459015.db2.gz UBEZGEBIDBDANM-XLIONFOSSA-N 2 2 324.468 3.043 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C[NH2+]1 ZINC001246272802 1104469316 /nfs/dbraw/zinc/46/93/16/1104469316.db2.gz WKCMCOAVDXJGMU-BVGQSLNGSA-N 2 2 306.425 3.024 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246277890 1104471237 /nfs/dbraw/zinc/47/12/37/1104471237.db2.gz BYESONPMAUYAHK-MAUKXSAKSA-N 2 2 300.833 3.487 20 0 DGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246371050 1104512885 /nfs/dbraw/zinc/51/28/85/1104512885.db2.gz ULXXCPJJKCOOSQ-JKSUJKDBSA-N 2 2 317.477 3.413 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC[NH2+]1 ZINC001246390132 1104520594 /nfs/dbraw/zinc/52/05/94/1104520594.db2.gz WRNBUZXVTORNKX-ROUUACIJSA-N 3 2 307.526 3.281 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246402152 1104527580 /nfs/dbraw/zinc/52/75/80/1104527580.db2.gz JWSKBWZDRCXYPV-FHWLQOOXSA-N 3 2 307.526 3.281 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246402152 1104527590 /nfs/dbraw/zinc/52/75/90/1104527590.db2.gz JWSKBWZDRCXYPV-FHWLQOOXSA-N 3 2 307.526 3.281 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407884 1104528716 /nfs/dbraw/zinc/52/87/16/1104528716.db2.gz VGGNSRZAYQHDLP-NXWXRZEISA-N 3 2 307.526 3.279 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407884 1104528725 /nfs/dbraw/zinc/52/87/25/1104528725.db2.gz VGGNSRZAYQHDLP-NXWXRZEISA-N 3 2 307.526 3.279 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1cccc(Br)c1)C2 ZINC001274886390 1104529007 /nfs/dbraw/zinc/52/90/07/1104529007.db2.gz YNYSPLKWYNTDJZ-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1cccc(Br)c1)C2 ZINC001274886390 1104529017 /nfs/dbraw/zinc/52/90/17/1104529017.db2.gz YNYSPLKWYNTDJZ-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1cccc(Br)c1)C2 ZINC001274886390 1104529025 /nfs/dbraw/zinc/52/90/25/1104529025.db2.gz YNYSPLKWYNTDJZ-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1cccc(Br)c1)C2 ZINC001274886390 1104529032 /nfs/dbraw/zinc/52/90/32/1104529032.db2.gz YNYSPLKWYNTDJZ-ZBFHGGJFSA-N 2 2 323.278 3.018 20 0 DGADLP Fc1cccc([C@@H](CC2CCOCC2)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246409960 1104531331 /nfs/dbraw/zinc/53/13/31/1104531331.db2.gz VMDCLVYTGOAPOA-RBUKOAKNSA-N 2 2 320.452 3.415 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246438923 1104540572 /nfs/dbraw/zinc/54/05/72/1104540572.db2.gz KWRJXXCAIGIFMZ-XJKSGUPXSA-N 2 2 308.853 3.076 20 0 DGADLP Fc1ccc([C@H](CC2CCOCC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246454793 1104546085 /nfs/dbraw/zinc/54/60/85/1104546085.db2.gz GZYWEAULAHFLAX-OALUTQOASA-N 2 2 320.452 3.415 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957469 1104561325 /nfs/dbraw/zinc/56/13/25/1104561325.db2.gz LHANSSKHIPFRTR-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957469 1104561331 /nfs/dbraw/zinc/56/13/31/1104561331.db2.gz LHANSSKHIPFRTR-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957469 1104561335 /nfs/dbraw/zinc/56/13/35/1104561335.db2.gz LHANSSKHIPFRTR-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCc3cc(F)cc(F)c3)C2)C1 ZINC001274957469 1104561341 /nfs/dbraw/zinc/56/13/41/1104561341.db2.gz LHANSSKHIPFRTR-GOSISDBHSA-N 2 2 308.416 3.315 20 0 DGADLP CCCCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522470 1104576467 /nfs/dbraw/zinc/57/64/67/1104576467.db2.gz CTOYIIHEHHQWSP-IAGOWNOFSA-N 2 2 306.450 3.422 20 0 DGADLP CC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050431 1104595064 /nfs/dbraw/zinc/59/50/64/1104595064.db2.gz DYZVRBIIHIBTFJ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050431 1104595069 /nfs/dbraw/zinc/59/50/69/1104595069.db2.gz DYZVRBIIHIBTFJ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050431 1104595076 /nfs/dbraw/zinc/59/50/76/1104595076.db2.gz DYZVRBIIHIBTFJ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050431 1104595084 /nfs/dbraw/zinc/59/50/84/1104595084.db2.gz DYZVRBIIHIBTFJ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246574248 1104601690 /nfs/dbraw/zinc/60/16/90/1104601690.db2.gz FVZOSBGCIQFVSE-YJBOKZPZSA-N 2 2 308.441 3.169 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246574248 1104601694 /nfs/dbraw/zinc/60/16/94/1104601694.db2.gz FVZOSBGCIQFVSE-YJBOKZPZSA-N 2 2 308.441 3.169 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001246593930 1104613095 /nfs/dbraw/zinc/61/30/95/1104613095.db2.gz PEFXWTQWYHAJHA-HOJAQTOUSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593930 1104613102 /nfs/dbraw/zinc/61/31/02/1104613102.db2.gz PEFXWTQWYHAJHA-HOJAQTOUSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593930 1104613108 /nfs/dbraw/zinc/61/31/08/1104613108.db2.gz PEFXWTQWYHAJHA-HOJAQTOUSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593930 1104613111 /nfs/dbraw/zinc/61/31/11/1104613111.db2.gz PEFXWTQWYHAJHA-HOJAQTOUSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246608680 1104624149 /nfs/dbraw/zinc/62/41/49/1104624149.db2.gz IPOQVYHNKOHNKX-CJNGLKHVSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246608680 1104624153 /nfs/dbraw/zinc/62/41/53/1104624153.db2.gz IPOQVYHNKOHNKX-CJNGLKHVSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CNc4ccc(Cl)cc43)CC2)C[NH2+]1 ZINC001246608992 1104624872 /nfs/dbraw/zinc/62/48/72/1104624872.db2.gz YZWUAYIPLINKAO-UKRRQHHQSA-N 2 2 319.880 3.240 20 0 DGADLP COc1ccc2cc(CC[C@@H](C)[NH+]3CC4(C[NH2+]C4)C3)ccc2c1 ZINC001246611857 1104626350 /nfs/dbraw/zinc/62/63/50/1104626350.db2.gz DFZMGSWDVYGCEM-OAHLLOKOSA-N 2 2 310.441 3.075 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613622 1104627820 /nfs/dbraw/zinc/62/78/20/1104627820.db2.gz JYIMVQMTUUVAQO-CJNGLKHVSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613622 1104627829 /nfs/dbraw/zinc/62/78/29/1104627829.db2.gz JYIMVQMTUUVAQO-CJNGLKHVSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613481 1104627895 /nfs/dbraw/zinc/62/78/95/1104627895.db2.gz JKXCQAGXHAYFSK-CJNGLKHVSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613481 1104627902 /nfs/dbraw/zinc/62/79/02/1104627902.db2.gz JKXCQAGXHAYFSK-CJNGLKHVSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615929 1104630136 /nfs/dbraw/zinc/63/01/36/1104630136.db2.gz XSMLOBZZSYHCTK-CZUORRHYSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246615929 1104630141 /nfs/dbraw/zinc/63/01/41/1104630141.db2.gz XSMLOBZZSYHCTK-CZUORRHYSA-N 2 2 323.278 3.208 20 0 DGADLP CCCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275126017 1104636563 /nfs/dbraw/zinc/63/65/63/1104636563.db2.gz PFPAFNIVICMRGS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275126017 1104636568 /nfs/dbraw/zinc/63/65/68/1104636568.db2.gz PFPAFNIVICMRGS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275126017 1104636574 /nfs/dbraw/zinc/63/65/74/1104636574.db2.gz PFPAFNIVICMRGS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275126017 1104636578 /nfs/dbraw/zinc/63/65/78/1104636578.db2.gz PFPAFNIVICMRGS-SFHVURJKSA-N 2 2 304.482 3.278 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCCCC13CC[NH2+]CC3)CO2 ZINC001246647355 1104644836 /nfs/dbraw/zinc/64/48/36/1104644836.db2.gz KYZQZNAIOSYTCZ-MRXNPFEDSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCCCC13CC[NH2+]CC3)CO2 ZINC001246647355 1104644840 /nfs/dbraw/zinc/64/48/40/1104644840.db2.gz KYZQZNAIOSYTCZ-MRXNPFEDSA-N 2 2 320.864 3.252 20 0 DGADLP CCC(C)(C)C1CCC([N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651793 1104647730 /nfs/dbraw/zinc/64/77/30/1104647730.db2.gz ZWVJLFCFCDGESG-TVPLGVNVSA-N 2 2 308.510 3.436 20 0 DGADLP CCC(C)(C)C1CCC([N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651793 1104647735 /nfs/dbraw/zinc/64/77/35/1104647735.db2.gz ZWVJLFCFCDGESG-TVPLGVNVSA-N 2 2 308.510 3.436 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652124 1104648970 /nfs/dbraw/zinc/64/89/70/1104648970.db2.gz NXDBBAQEWPLENS-WMZOPIPTSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652124 1104648974 /nfs/dbraw/zinc/64/89/74/1104648974.db2.gz NXDBBAQEWPLENS-WMZOPIPTSA-N 2 2 310.482 3.107 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246657220 1104651105 /nfs/dbraw/zinc/65/11/05/1104651105.db2.gz GPCVSCNDSNQIMC-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246657220 1104651109 /nfs/dbraw/zinc/65/11/09/1104651109.db2.gz GPCVSCNDSNQIMC-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246661032 1104652941 /nfs/dbraw/zinc/65/29/41/1104652941.db2.gz GCAYIDKVNCWHRK-BAGYTPMASA-N 2 2 318.464 3.424 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246661032 1104652947 /nfs/dbraw/zinc/65/29/47/1104652947.db2.gz GCAYIDKVNCWHRK-BAGYTPMASA-N 2 2 318.464 3.424 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246664385 1104654493 /nfs/dbraw/zinc/65/44/93/1104654493.db2.gz WHTCQXUUHHEGAO-XPKDYRNWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccccc1Br)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246664385 1104654495 /nfs/dbraw/zinc/65/44/95/1104654495.db2.gz WHTCQXUUHHEGAO-XPKDYRNWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C[NH2+]1 ZINC001246733158 1104665703 /nfs/dbraw/zinc/66/57/03/1104665703.db2.gz JYELAODTGODSEY-BHIYHBOVSA-N 2 2 314.473 3.166 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C[NH2+]1 ZINC001246733163 1104666049 /nfs/dbraw/zinc/66/60/49/1104666049.db2.gz JYELAODTGODSEY-QRQLOZEOSA-N 2 2 314.473 3.166 20 0 DGADLP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246778105 1104669359 /nfs/dbraw/zinc/66/93/59/1104669359.db2.gz GXRJARDYHONXPX-OAHLLOKOSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)c1 ZINC001246778105 1104669361 /nfs/dbraw/zinc/66/93/61/1104669361.db2.gz GXRJARDYHONXPX-OAHLLOKOSA-N 2 2 308.853 3.244 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782065 1104672531 /nfs/dbraw/zinc/67/25/31/1104672531.db2.gz WZOYMTCYOJXNND-YJBOKZPZSA-N 2 2 319.468 3.114 20 0 DGADLP CCc1[nH]c(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(C)[nH+]1 ZINC001275230943 1104684594 /nfs/dbraw/zinc/68/45/94/1104684594.db2.gz MMJSRCQJQCRSLM-UHFFFAOYSA-N 3 2 316.493 3.121 20 0 DGADLP Clc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849048 1104706435 /nfs/dbraw/zinc/70/64/35/1104706435.db2.gz DLIBXWXXIWWLSJ-DOTOQJQBSA-N 2 2 308.853 3.325 20 0 DGADLP Clc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849048 1104706442 /nfs/dbraw/zinc/70/64/42/1104706442.db2.gz DLIBXWXXIWWLSJ-DOTOQJQBSA-N 2 2 308.853 3.325 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870736 1104714042 /nfs/dbraw/zinc/71/40/42/1104714042.db2.gz ZNTHEMSPKOPMLJ-NOLJZWGESA-N 2 2 312.379 3.320 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246870736 1104714050 /nfs/dbraw/zinc/71/40/50/1104714050.db2.gz ZNTHEMSPKOPMLJ-NOLJZWGESA-N 2 2 312.379 3.320 20 0 DGADLP COc1cccc(C[N@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1OC ZINC001246871675 1104716495 /nfs/dbraw/zinc/71/64/95/1104716495.db2.gz OAHRTITWMQSWIJ-DOTOQJQBSA-N 2 2 320.477 3.302 20 0 DGADLP COc1cccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1OC ZINC001246871675 1104716502 /nfs/dbraw/zinc/71/65/02/1104716502.db2.gz OAHRTITWMQSWIJ-DOTOQJQBSA-N 2 2 320.477 3.302 20 0 DGADLP Fc1cccc(C[N@H+](C2CCSCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933051 1104743048 /nfs/dbraw/zinc/74/30/48/1104743048.db2.gz GCDATNDTSFZHQJ-KRWDZBQOSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@@H+](C2CCSCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933051 1104743051 /nfs/dbraw/zinc/74/30/51/1104743051.db2.gz GCDATNDTSFZHQJ-KRWDZBQOSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCCSC2)c1 ZINC001246938114 1104744208 /nfs/dbraw/zinc/74/42/08/1104744208.db2.gz QSILNSLWKHWVLV-SJORKVTESA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCCSC2)c1 ZINC001246938114 1104744212 /nfs/dbraw/zinc/74/42/12/1104744212.db2.gz QSILNSLWKHWVLV-SJORKVTESA-N 2 2 308.466 3.275 20 0 DGADLP CCOC(=O)C[N@H+](C1CCCC1)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246950522 1104749447 /nfs/dbraw/zinc/74/94/47/1104749447.db2.gz WDDCHYDAAFYSOM-HUUCEWRRSA-N 2 2 310.482 3.103 20 0 DGADLP CCOC(=O)C[N@@H+](C1CCCC1)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246950522 1104749452 /nfs/dbraw/zinc/74/94/52/1104749452.db2.gz WDDCHYDAAFYSOM-HUUCEWRRSA-N 2 2 310.482 3.103 20 0 DGADLP COC(=O)CCCC[C@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975222 1104757911 /nfs/dbraw/zinc/75/79/11/1104757911.db2.gz BKBLUSKHJBDCCL-RDJZCZTQSA-N 2 2 310.482 3.105 20 0 DGADLP COC(=O)CCCC[C@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975222 1104757916 /nfs/dbraw/zinc/75/79/16/1104757916.db2.gz BKBLUSKHJBDCCL-RDJZCZTQSA-N 2 2 310.482 3.105 20 0 DGADLP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974867 1104757975 /nfs/dbraw/zinc/75/79/75/1104757975.db2.gz KILPMUXSIIPCKX-WZGPROSRSA-N 2 2 302.462 3.225 20 0 DGADLP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974867 1104757980 /nfs/dbraw/zinc/75/79/80/1104757980.db2.gz KILPMUXSIIPCKX-WZGPROSRSA-N 2 2 302.462 3.225 20 0 DGADLP C1C[C@H]([N@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)C[NH2+]1 ZINC001246975285 1104758472 /nfs/dbraw/zinc/75/84/72/1104758472.db2.gz BQDZTEAFQUTTOV-GPJFCIFZSA-N 3 2 319.537 3.295 20 0 DGADLP C1C[C@H]([N@@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)C[NH2+]1 ZINC001246975285 1104758477 /nfs/dbraw/zinc/75/84/77/1104758477.db2.gz BQDZTEAFQUTTOV-GPJFCIFZSA-N 3 2 319.537 3.295 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(-n4cc[nH+]c4)c3)(C1)CCC2 ZINC001275443221 1104760348 /nfs/dbraw/zinc/76/03/48/1104760348.db2.gz CMKVWWOKELAHDV-RBUKOAKNSA-N 3 2 310.445 3.027 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998404 1104770173 /nfs/dbraw/zinc/77/01/73/1104770173.db2.gz FYKRQHAZAOWFNU-IAGOWNOFSA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246998404 1104770175 /nfs/dbraw/zinc/77/01/75/1104770175.db2.gz FYKRQHAZAOWFNU-IAGOWNOFSA-N 2 2 302.462 3.405 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3ncsc3c1)C2 ZINC001275560962 1104809005 /nfs/dbraw/zinc/80/90/05/1104809005.db2.gz SSAORAAESYANKG-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3ncsc3c1)C2 ZINC001275560962 1104809015 /nfs/dbraw/zinc/80/90/15/1104809015.db2.gz SSAORAAESYANKG-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3ncsc3c1)C2 ZINC001275560962 1104809023 /nfs/dbraw/zinc/80/90/23/1104809023.db2.gz SSAORAAESYANKG-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3ncsc3c1)C2 ZINC001275560962 1104809032 /nfs/dbraw/zinc/80/90/32/1104809032.db2.gz SSAORAAESYANKG-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687992 1104862786 /nfs/dbraw/zinc/86/27/86/1104862786.db2.gz KFAKSHWULSIUBA-KRWDZBQOSA-N 2 2 318.852 3.086 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687992 1104862796 /nfs/dbraw/zinc/86/27/96/1104862796.db2.gz KFAKSHWULSIUBA-KRWDZBQOSA-N 2 2 318.852 3.086 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687992 1104862803 /nfs/dbraw/zinc/86/28/03/1104862803.db2.gz KFAKSHWULSIUBA-KRWDZBQOSA-N 2 2 318.852 3.086 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c3cc[nH]c3ncc1Cl)C2 ZINC001275687992 1104862812 /nfs/dbraw/zinc/86/28/12/1104862812.db2.gz KFAKSHWULSIUBA-KRWDZBQOSA-N 2 2 318.852 3.086 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275792583 1104910148 /nfs/dbraw/zinc/91/01/48/1104910148.db2.gz RMPFPODDJIKALH-FQEVSTJZSA-N 2 2 324.472 3.005 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275792583 1104910151 /nfs/dbraw/zinc/91/01/51/1104910151.db2.gz RMPFPODDJIKALH-FQEVSTJZSA-N 2 2 324.472 3.005 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275792583 1104910153 /nfs/dbraw/zinc/91/01/53/1104910153.db2.gz RMPFPODDJIKALH-FQEVSTJZSA-N 2 2 324.472 3.005 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001275792583 1104910155 /nfs/dbraw/zinc/91/01/55/1104910155.db2.gz RMPFPODDJIKALH-FQEVSTJZSA-N 2 2 324.472 3.005 20 0 DGADLP c1cn(-c2ccccc2-c2noc([C@@H]3[NH2+]C4CCC3CC4)n2)c[nH+]1 ZINC001247635328 1104945558 /nfs/dbraw/zinc/94/55/58/1104945558.db2.gz YPSBCMWXXXPLKE-SEEARECTSA-N 2 2 321.384 3.125 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275887045 1104945621 /nfs/dbraw/zinc/94/56/21/1104945621.db2.gz JSKGOIOIUDXZJY-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001275887045 1104945625 /nfs/dbraw/zinc/94/56/25/1104945625.db2.gz JSKGOIOIUDXZJY-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1[nH]c[nH+]c1C ZINC001276207087 1105048070 /nfs/dbraw/zinc/04/80/70/1105048070.db2.gz REDLHMHWVJMONI-ZACQAIPSSA-N 2 2 304.482 3.193 20 0 DGADLP Cc1ccc2c(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)cccc2n1 ZINC001248560464 1105129218 /nfs/dbraw/zinc/12/92/18/1105129218.db2.gz UNAXDTHBFJIEQX-UHFFFAOYSA-N 2 2 321.468 3.461 20 0 DGADLP Cc1ccc2c(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)cccc2n1 ZINC001248560464 1105129220 /nfs/dbraw/zinc/12/92/20/1105129220.db2.gz UNAXDTHBFJIEQX-UHFFFAOYSA-N 2 2 321.468 3.461 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cs1 ZINC001248801742 1105165185 /nfs/dbraw/zinc/16/51/85/1105165185.db2.gz FHTRPISKBRAITC-QZTJIDSGSA-N 2 2 313.470 3.015 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(SC)c(OC)c3)C[C@@H]2C1 ZINC001249378597 1105277279 /nfs/dbraw/zinc/27/72/79/1105277279.db2.gz OJGQOSQETJDCEQ-IYBDPMFKSA-N 2 2 320.502 3.191 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(SC)c(OC)c3)C[C@@H]2C1 ZINC001249378597 1105277282 /nfs/dbraw/zinc/27/72/82/1105277282.db2.gz OJGQOSQETJDCEQ-IYBDPMFKSA-N 2 2 320.502 3.191 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(SC)c(OC)c3)C[C@@H]2C1 ZINC001249378597 1105277288 /nfs/dbraw/zinc/27/72/88/1105277288.db2.gz OJGQOSQETJDCEQ-IYBDPMFKSA-N 2 2 320.502 3.191 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(SC)c(OC)c3)C[C@@H]2C1 ZINC001249378597 1105277294 /nfs/dbraw/zinc/27/72/94/1105277294.db2.gz OJGQOSQETJDCEQ-IYBDPMFKSA-N 2 2 320.502 3.191 20 0 DGADLP COc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1C ZINC001249913172 1105407082 /nfs/dbraw/zinc/40/70/82/1105407082.db2.gz UUIQHQYBRDBMLS-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP COc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1C ZINC001249913172 1105407083 /nfs/dbraw/zinc/40/70/83/1105407083.db2.gz UUIQHQYBRDBMLS-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491503086 1105836202 /nfs/dbraw/zinc/83/62/02/1105836202.db2.gz DNADURXEQHVATE-GEXIGZQTSA-N 2 2 314.433 3.017 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253196837 1105902144 /nfs/dbraw/zinc/90/21/44/1105902144.db2.gz YNDWIUGMGXJEBI-SJORKVTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253196837 1105902147 /nfs/dbraw/zinc/90/21/47/1105902147.db2.gz YNDWIUGMGXJEBI-SJORKVTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC001253206708 1105903759 /nfs/dbraw/zinc/90/37/59/1105903759.db2.gz REXPEVSHBBNUTA-OAHLLOKOSA-N 2 2 310.441 3.049 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CC1CC1)c1ccccc1F ZINC001253410231 1105936034 /nfs/dbraw/zinc/93/60/34/1105936034.db2.gz DDBYPKRKOFYWJT-WMLDXEAASA-N 2 2 308.441 3.006 20 0 DGADLP CCc1cc2c(cc1CC)CC([NH2+][C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254845632 1106148124 /nfs/dbraw/zinc/14/81/24/1106148124.db2.gz QJCIADSOIHHXOJ-NRFANRHFSA-N 2 2 312.501 3.353 20 0 DGADLP COc1ccccc1CC(C)(C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848399 1106148161 /nfs/dbraw/zinc/14/81/61/1106148161.db2.gz OQQJDNOQUCDZAH-QGZVFWFLSA-N 2 2 302.462 3.090 20 0 DGADLP c1ccc(-c2cccnc2)c(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254849562 1106148985 /nfs/dbraw/zinc/14/89/85/1106148985.db2.gz VZOPYKKUYRLNHX-IBGZPJMESA-N 2 2 307.441 3.323 20 0 DGADLP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255124239 1106184008 /nfs/dbraw/zinc/18/40/08/1106184008.db2.gz IMDPENLWJYOJDV-BWTSREIZSA-N 3 2 324.472 3.061 20 0 DGADLP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124239 1106184009 /nfs/dbraw/zinc/18/40/09/1106184009.db2.gz IMDPENLWJYOJDV-BWTSREIZSA-N 3 2 324.472 3.061 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255124890 1106185054 /nfs/dbraw/zinc/18/50/54/1106185054.db2.gz PJFGZCARKTUSES-ACDBMABISA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255124890 1106185056 /nfs/dbraw/zinc/18/50/56/1106185056.db2.gz PJFGZCARKTUSES-ACDBMABISA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255124890 1106185059 /nfs/dbraw/zinc/18/50/59/1106185059.db2.gz PJFGZCARKTUSES-ACDBMABISA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124890 1106185061 /nfs/dbraw/zinc/18/50/61/1106185061.db2.gz PJFGZCARKTUSES-ACDBMABISA-N 3 2 315.505 3.241 20 0 DGADLP Cn1cc(C[N@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001255135814 1106187818 /nfs/dbraw/zinc/18/78/18/1106187818.db2.gz FRXRUIVYHXVTKR-ACDBMABISA-N 2 2 324.472 3.048 20 0 DGADLP Cn1cc(C[N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001255135814 1106187824 /nfs/dbraw/zinc/18/78/24/1106187824.db2.gz FRXRUIVYHXVTKR-ACDBMABISA-N 2 2 324.472 3.048 20 0 DGADLP Cn1cc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001255135814 1106187831 /nfs/dbraw/zinc/18/78/31/1106187831.db2.gz FRXRUIVYHXVTKR-ACDBMABISA-N 2 2 324.472 3.048 20 0 DGADLP Cn1cc(C[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255135814 1106187835 /nfs/dbraw/zinc/18/78/35/1106187835.db2.gz FRXRUIVYHXVTKR-ACDBMABISA-N 2 2 324.472 3.048 20 0 DGADLP CCCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001255328120 1106223171 /nfs/dbraw/zinc/22/31/71/1106223171.db2.gz GJOUBDAEMNGWDO-KRWDZBQOSA-N 2 2 318.509 3.429 20 0 DGADLP CCCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001255328120 1106223175 /nfs/dbraw/zinc/22/31/75/1106223175.db2.gz GJOUBDAEMNGWDO-KRWDZBQOSA-N 2 2 318.509 3.429 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397066 1106240851 /nfs/dbraw/zinc/24/08/51/1106240851.db2.gz DNLIEFAKLUIZBZ-IBGZPJMESA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397066 1106240853 /nfs/dbraw/zinc/24/08/53/1106240853.db2.gz DNLIEFAKLUIZBZ-IBGZPJMESA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397066 1106240855 /nfs/dbraw/zinc/24/08/55/1106240855.db2.gz DNLIEFAKLUIZBZ-IBGZPJMESA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397066 1106240857 /nfs/dbraw/zinc/24/08/57/1106240857.db2.gz DNLIEFAKLUIZBZ-IBGZPJMESA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397067 1106241821 /nfs/dbraw/zinc/24/18/21/1106241821.db2.gz DNLIEFAKLUIZBZ-LJQANCHMSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397067 1106241822 /nfs/dbraw/zinc/24/18/22/1106241822.db2.gz DNLIEFAKLUIZBZ-LJQANCHMSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397067 1106241824 /nfs/dbraw/zinc/24/18/24/1106241824.db2.gz DNLIEFAKLUIZBZ-LJQANCHMSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3Cc4cccnc4C3)CC2)cc1 ZINC001255397067 1106241825 /nfs/dbraw/zinc/24/18/25/1106241825.db2.gz DNLIEFAKLUIZBZ-LJQANCHMSA-N 2 2 307.441 3.452 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401941 1106244069 /nfs/dbraw/zinc/24/40/69/1106244069.db2.gz YUFWXVHXWDRCRW-GBESFXJTSA-N 2 2 312.457 3.237 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401941 1106244071 /nfs/dbraw/zinc/24/40/71/1106244071.db2.gz YUFWXVHXWDRCRW-GBESFXJTSA-N 2 2 312.457 3.237 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401941 1106244074 /nfs/dbraw/zinc/24/40/74/1106244074.db2.gz YUFWXVHXWDRCRW-GBESFXJTSA-N 2 2 312.457 3.237 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401941 1106244077 /nfs/dbraw/zinc/24/40/77/1106244077.db2.gz YUFWXVHXWDRCRW-GBESFXJTSA-N 2 2 312.457 3.237 20 0 DGADLP F[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400342 1106244823 /nfs/dbraw/zinc/24/48/23/1106244823.db2.gz IRIIDODWNUESEP-ZSYWTGECSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400342 1106244826 /nfs/dbraw/zinc/24/48/26/1106244826.db2.gz IRIIDODWNUESEP-ZSYWTGECSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400342 1106244827 /nfs/dbraw/zinc/24/48/27/1106244827.db2.gz IRIIDODWNUESEP-ZSYWTGECSA-N 2 2 302.437 3.331 20 0 DGADLP F[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001255400342 1106244830 /nfs/dbraw/zinc/24/48/30/1106244830.db2.gz IRIIDODWNUESEP-ZSYWTGECSA-N 2 2 302.437 3.331 20 0 DGADLP COCC[N@H+](C1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC001255518223 1106262627 /nfs/dbraw/zinc/26/26/27/1106262627.db2.gz CVZHFIKQAUPGEA-UHFFFAOYSA-N 2 2 322.415 3.150 20 0 DGADLP COCC[N@@H+](C1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC001255518223 1106262631 /nfs/dbraw/zinc/26/26/31/1106262631.db2.gz CVZHFIKQAUPGEA-UHFFFAOYSA-N 2 2 322.415 3.150 20 0 DGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC001255644035 1106283831 /nfs/dbraw/zinc/28/38/31/1106283831.db2.gz WURCFZKXGGRHEQ-LBPRGKRZSA-N 2 2 316.367 3.286 20 0 DGADLP c1cn(Cc2noc3c2C[N@@H+](C2CCCCCC2)CC3)c[nH+]1 ZINC001255888379 1106339202 /nfs/dbraw/zinc/33/92/02/1106339202.db2.gz HNYILPCTJPPPGG-UHFFFAOYSA-N 2 2 300.406 3.000 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076207 1106365328 /nfs/dbraw/zinc/36/53/28/1106365328.db2.gz DNNJLRNDBFWVNA-IBGZPJMESA-N 2 2 300.446 3.459 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256076207 1106365332 /nfs/dbraw/zinc/36/53/32/1106365332.db2.gz DNNJLRNDBFWVNA-IBGZPJMESA-N 2 2 300.446 3.459 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH2+]CC[NH+]1CCCC1 ZINC001256169576 1106383508 /nfs/dbraw/zinc/38/35/08/1106383508.db2.gz AYXTVKMMZYJGNF-CYBMUJFWSA-N 2 2 311.267 3.066 20 0 DGADLP CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](C)CC1 ZINC001256211275 1106390994 /nfs/dbraw/zinc/39/09/94/1106390994.db2.gz SYOGAGCUXMAOQZ-MRXNPFEDSA-N 2 2 317.477 3.128 20 0 DGADLP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CC[NH+](C)CC1 ZINC001256211275 1106390997 /nfs/dbraw/zinc/39/09/97/1106390997.db2.gz SYOGAGCUXMAOQZ-MRXNPFEDSA-N 2 2 317.477 3.128 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523868 1106433281 /nfs/dbraw/zinc/43/32/81/1106433281.db2.gz SAIOTENUPCYGCB-QFBILLFUSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2(c3cnn(C)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523868 1106433285 /nfs/dbraw/zinc/43/32/85/1106433285.db2.gz SAIOTENUPCYGCB-QFBILLFUSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529657 1106435523 /nfs/dbraw/zinc/43/55/23/1106435523.db2.gz DVWLBPYSZAKDEB-NXHRZFHOSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256529657 1106435524 /nfs/dbraw/zinc/43/55/24/1106435524.db2.gz DVWLBPYSZAKDEB-NXHRZFHOSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256529702 1106435536 /nfs/dbraw/zinc/43/55/36/1106435536.db2.gz WGWZKYDQWXLZTD-KBAYOESNSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001256529702 1106435537 /nfs/dbraw/zinc/43/55/37/1106435537.db2.gz WGWZKYDQWXLZTD-KBAYOESNSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535870 1106437164 /nfs/dbraw/zinc/43/71/64/1106437164.db2.gz BDKPCHZNFAAGAU-RSPOEFSDSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256535870 1106437165 /nfs/dbraw/zinc/43/71/65/1106437165.db2.gz BDKPCHZNFAAGAU-RSPOEFSDSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535870 1106437166 /nfs/dbraw/zinc/43/71/66/1106437166.db2.gz BDKPCHZNFAAGAU-RSPOEFSDSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535870 1106437168 /nfs/dbraw/zinc/43/71/68/1106437168.db2.gz BDKPCHZNFAAGAU-RSPOEFSDSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538114 1106437522 /nfs/dbraw/zinc/43/75/22/1106437522.db2.gz QXZQPTLNYZESNZ-VXIBKDFQSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538114 1106437524 /nfs/dbraw/zinc/43/75/24/1106437524.db2.gz QXZQPTLNYZESNZ-VXIBKDFQSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538114 1106437528 /nfs/dbraw/zinc/43/75/28/1106437528.db2.gz QXZQPTLNYZESNZ-VXIBKDFQSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001256538114 1106437533 /nfs/dbraw/zinc/43/75/33/1106437533.db2.gz QXZQPTLNYZESNZ-VXIBKDFQSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553823 1106442198 /nfs/dbraw/zinc/44/21/98/1106442198.db2.gz KUIPSXAPVTXIHB-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553823 1106442201 /nfs/dbraw/zinc/44/22/01/1106442201.db2.gz KUIPSXAPVTXIHB-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553916 1106442701 /nfs/dbraw/zinc/44/27/01/1106442701.db2.gz MGJTXOOMBNQJLP-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553916 1106442704 /nfs/dbraw/zinc/44/27/04/1106442704.db2.gz MGJTXOOMBNQJLP-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553916 1106442706 /nfs/dbraw/zinc/44/27/06/1106442706.db2.gz MGJTXOOMBNQJLP-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553916 1106442709 /nfs/dbraw/zinc/44/27/09/1106442709.db2.gz MGJTXOOMBNQJLP-SXLOBPIMSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559608 1106444837 /nfs/dbraw/zinc/44/48/37/1106444837.db2.gz MGJTXOOMBNQJLP-DFQSSKMNSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559608 1106444838 /nfs/dbraw/zinc/44/48/38/1106444838.db2.gz MGJTXOOMBNQJLP-DFQSSKMNSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559608 1106444839 /nfs/dbraw/zinc/44/48/39/1106444839.db2.gz MGJTXOOMBNQJLP-DFQSSKMNSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256559608 1106444840 /nfs/dbraw/zinc/44/48/40/1106444840.db2.gz MGJTXOOMBNQJLP-DFQSSKMNSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001256568697 1106447522 /nfs/dbraw/zinc/44/75/22/1106447522.db2.gz BQHCIKGNSWWXRF-UHFFFAOYSA-N 2 2 301.478 3.072 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4nccnc43)CC2)cc1 ZINC001256600376 1106451585 /nfs/dbraw/zinc/45/15/85/1106451585.db2.gz FKGQLQOUASAOGV-LJQANCHMSA-N 2 2 322.456 3.108 20 0 DGADLP CO[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001256612073 1106453940 /nfs/dbraw/zinc/45/39/40/1106453940.db2.gz DFHDUFQQLPTQGY-VQIMIIECSA-N 2 2 302.462 3.150 20 0 DGADLP CO[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001256612073 1106453941 /nfs/dbraw/zinc/45/39/41/1106453941.db2.gz DFHDUFQQLPTQGY-VQIMIIECSA-N 2 2 302.462 3.150 20 0 DGADLP c1cn2cc(C[NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001256802296 1106487171 /nfs/dbraw/zinc/48/71/71/1106487171.db2.gz AGELOGXQXHFMAY-QZTJIDSGSA-N 2 2 307.397 3.344 20 0 DGADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257251761 1106555712 /nfs/dbraw/zinc/55/57/12/1106555712.db2.gz BCKVNLFPMOHWDP-OTWHNJEPSA-N 2 2 304.478 3.444 20 0 DGADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257251761 1106555714 /nfs/dbraw/zinc/55/57/14/1106555714.db2.gz BCKVNLFPMOHWDP-OTWHNJEPSA-N 2 2 304.478 3.444 20 0 DGADLP CCCCOC(=O)CC[C@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001257397684 1106581192 /nfs/dbraw/zinc/58/11/92/1106581192.db2.gz ACYGKXSTROXMTK-GJZGRUSLSA-N 2 2 307.438 3.035 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001257422023 1106586116 /nfs/dbraw/zinc/58/61/16/1106586116.db2.gz YJAIPOPBBUCQEV-QRVBRYPASA-N 2 2 301.478 3.414 20 0 DGADLP CC[C@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001257444044 1106590498 /nfs/dbraw/zinc/59/04/98/1106590498.db2.gz QTMHZIQPERDXJO-JTQLQIEISA-N 2 2 308.223 3.295 20 0 DGADLP CCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514573 1106600930 /nfs/dbraw/zinc/60/09/30/1106600930.db2.gz JZFKRKWBZIBCGJ-BHIYHBOVSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514573 1106600933 /nfs/dbraw/zinc/60/09/33/1106600933.db2.gz JZFKRKWBZIBCGJ-BHIYHBOVSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514573 1106600935 /nfs/dbraw/zinc/60/09/35/1106600935.db2.gz JZFKRKWBZIBCGJ-BHIYHBOVSA-N 2 2 318.509 3.143 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257514573 1106600938 /nfs/dbraw/zinc/60/09/38/1106600938.db2.gz JZFKRKWBZIBCGJ-BHIYHBOVSA-N 2 2 318.509 3.143 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001257569334 1106607600 /nfs/dbraw/zinc/60/76/00/1106607600.db2.gz XXTBCTHQFMJOFJ-CYBMUJFWSA-N 2 2 323.278 3.160 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001257569334 1106607603 /nfs/dbraw/zinc/60/76/03/1106607603.db2.gz XXTBCTHQFMJOFJ-CYBMUJFWSA-N 2 2 323.278 3.160 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822144 1106631575 /nfs/dbraw/zinc/63/15/75/1106631575.db2.gz SYKBKBJCDXRUQJ-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822144 1106631578 /nfs/dbraw/zinc/63/15/78/1106631578.db2.gz SYKBKBJCDXRUQJ-XBMUEBEBSA-N 2 2 302.462 3.198 20 0 DGADLP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257957265 1106651442 /nfs/dbraw/zinc/65/14/42/1106651442.db2.gz YJMYYICQBRKDHG-MRXNPFEDSA-N 2 2 320.864 3.237 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257964853 1106652006 /nfs/dbraw/zinc/65/20/06/1106652006.db2.gz SJBXDNWYKWKROB-MRXNPFEDSA-N 2 2 308.853 3.061 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257964853 1106652009 /nfs/dbraw/zinc/65/20/09/1106652009.db2.gz SJBXDNWYKWKROB-MRXNPFEDSA-N 2 2 308.853 3.061 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1 ZINC001258008457 1106657394 /nfs/dbraw/zinc/65/73/94/1106657394.db2.gz ULWGPTVIVKEBBD-MRXNPFEDSA-N 2 2 308.853 3.484 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cc(F)cc32)CC1 ZINC001258009470 1106657402 /nfs/dbraw/zinc/65/74/02/1106657402.db2.gz YUDUGBCSYUWKRB-QGZVFWFLSA-N 2 2 324.415 3.498 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001258018538 1106659101 /nfs/dbraw/zinc/65/91/01/1106659101.db2.gz PBBQJAPYMWCTCR-SFHVURJKSA-N 2 2 314.473 3.312 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001258018538 1106659103 /nfs/dbraw/zinc/65/91/03/1106659103.db2.gz PBBQJAPYMWCTCR-SFHVURJKSA-N 2 2 314.473 3.312 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258118901 1106676790 /nfs/dbraw/zinc/67/67/90/1106676790.db2.gz DJCYCALTTCVPDA-OAHLLOKOSA-N 2 2 320.433 3.047 20 0 DGADLP C[C@H]1CC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@H](C)C1 ZINC001258160718 1106683723 /nfs/dbraw/zinc/68/37/23/1106683723.db2.gz VXKZEIDHFNZOSF-ZIAGYGMSSA-N 2 2 314.433 3.102 20 0 DGADLP C[C@H]1CC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@H](C)C1 ZINC001258160718 1106683724 /nfs/dbraw/zinc/68/37/24/1106683724.db2.gz VXKZEIDHFNZOSF-ZIAGYGMSSA-N 2 2 314.433 3.102 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC001258170328 1106686007 /nfs/dbraw/zinc/68/60/07/1106686007.db2.gz JGCPBVMBGCHHGH-GJZGRUSLSA-N 2 2 303.450 3.037 20 0 DGADLP CC1(C)CCC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284270 1106708268 /nfs/dbraw/zinc/70/82/68/1106708268.db2.gz BTRGASTXLIDRSL-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284270 1106708273 /nfs/dbraw/zinc/70/82/73/1106708273.db2.gz BTRGASTXLIDRSL-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284270 1106708277 /nfs/dbraw/zinc/70/82/77/1106708277.db2.gz BTRGASTXLIDRSL-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284270 1106708279 /nfs/dbraw/zinc/70/82/79/1106708279.db2.gz BTRGASTXLIDRSL-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3CCCC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001258292533 1106711688 /nfs/dbraw/zinc/71/16/88/1106711688.db2.gz VYALCHPHCXZGSV-MRXNPFEDSA-N 2 2 302.466 3.184 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CCc1ccc(OC)cc1 ZINC001258405338 1106731688 /nfs/dbraw/zinc/73/16/88/1106731688.db2.gz DPDQKRMOZMXZQA-MRXNPFEDSA-N 2 2 301.434 3.235 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CCc1ccc(OC)cc1 ZINC001258405338 1106731693 /nfs/dbraw/zinc/73/16/93/1106731693.db2.gz DPDQKRMOZMXZQA-MRXNPFEDSA-N 2 2 301.434 3.235 20 0 DGADLP COCC[N@H+]([C@@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258749569 1106949428 /nfs/dbraw/zinc/94/94/28/1106949428.db2.gz KYSACOIQCNPOKP-HNNXBMFYSA-N 2 2 324.896 3.314 20 0 DGADLP COCC[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001258749569 1106949440 /nfs/dbraw/zinc/94/94/40/1106949440.db2.gz KYSACOIQCNPOKP-HNNXBMFYSA-N 2 2 324.896 3.314 20 0 DGADLP CC[C@@H](C)C[C@H](CC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001258799724 1106984774 /nfs/dbraw/zinc/98/47/74/1106984774.db2.gz HVVVQTHSNJPPCG-CVEARBPZSA-N 2 2 305.466 3.427 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258884320 1107034948 /nfs/dbraw/zinc/03/49/48/1107034948.db2.gz NJZZEYMTOYWOPV-YJBOKZPZSA-N 2 2 302.462 3.090 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258884320 1107034963 /nfs/dbraw/zinc/03/49/63/1107034963.db2.gz NJZZEYMTOYWOPV-YJBOKZPZSA-N 2 2 302.462 3.090 20 0 DGADLP COc1ccccc1C[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258884816 1107038657 /nfs/dbraw/zinc/03/86/57/1107038657.db2.gz QHAMVIWZKIWFBY-HNAYVOBHSA-N 2 2 310.441 3.012 20 0 DGADLP COc1ccccc1C[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258884816 1107038670 /nfs/dbraw/zinc/03/86/70/1107038670.db2.gz QHAMVIWZKIWFBY-HNAYVOBHSA-N 2 2 310.441 3.012 20 0 DGADLP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508538 1107456623 /nfs/dbraw/zinc/45/66/23/1107456623.db2.gz NOYFDRQOEUXBSK-FGTMMUONSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508538 1107456629 /nfs/dbraw/zinc/45/66/29/1107456629.db2.gz NOYFDRQOEUXBSK-FGTMMUONSA-N 2 2 302.462 3.197 20 0 DGADLP COc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)nc1 ZINC001262363667 1107694074 /nfs/dbraw/zinc/69/40/74/1107694074.db2.gz ZUOUCLDEARAEMH-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP COc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC001262363667 1107694080 /nfs/dbraw/zinc/69/40/80/1107694080.db2.gz ZUOUCLDEARAEMH-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccccc1 ZINC001318477221 1108036798 /nfs/dbraw/zinc/03/67/98/1108036798.db2.gz DVWMCXVOKPTLDY-UHFFFAOYSA-N 2 2 306.369 3.147 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000387034407 1108453378 /nfs/dbraw/zinc/45/33/78/1108453378.db2.gz KQTGNAVWNODAQS-LBPRGKRZSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000387034407 1108453385 /nfs/dbraw/zinc/45/33/85/1108453385.db2.gz KQTGNAVWNODAQS-LBPRGKRZSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccsc2Br)C1 ZINC000388906183 1108600674 /nfs/dbraw/zinc/60/06/74/1108600674.db2.gz YKOHRRGBKKXDKI-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccsc2Br)C1 ZINC000388906183 1108600675 /nfs/dbraw/zinc/60/06/75/1108600675.db2.gz YKOHRRGBKKXDKI-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP Cc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC001319717068 1108607889 /nfs/dbraw/zinc/60/78/89/1108607889.db2.gz SWLMGKSFUOSUEK-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP Cc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC001319717068 1108607891 /nfs/dbraw/zinc/60/78/91/1108607891.db2.gz SWLMGKSFUOSUEK-UHFFFAOYSA-N 2 2 312.461 3.062 20 0 DGADLP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282146050 1109457315 /nfs/dbraw/zinc/45/73/15/1109457315.db2.gz GWVCEIIGDLODAW-OLZOCXBDSA-N 2 2 316.449 3.096 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC001333644974 1110209871 /nfs/dbraw/zinc/20/98/71/1110209871.db2.gz ACFARMBPXJNFBU-CYBMUJFWSA-N 2 2 314.882 3.117 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 ZINC001333644974 1110209874 /nfs/dbraw/zinc/20/98/74/1110209874.db2.gz ACFARMBPXJNFBU-CYBMUJFWSA-N 2 2 314.882 3.117 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164593 1111387720 /nfs/dbraw/zinc/38/77/20/1111387720.db2.gz FSZADBPIPJCGMH-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001308164593 1111387724 /nfs/dbraw/zinc/38/77/24/1111387724.db2.gz FSZADBPIPJCGMH-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC001308165660 1111388360 /nfs/dbraw/zinc/38/83/60/1111388360.db2.gz PZNYDVVSSRASIQ-KRWDZBQOSA-N 2 2 312.461 3.455 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC001308165660 1111388364 /nfs/dbraw/zinc/38/83/64/1111388364.db2.gz PZNYDVVSSRASIQ-KRWDZBQOSA-N 2 2 312.461 3.455 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC001308167624 1111389404 /nfs/dbraw/zinc/38/94/04/1111389404.db2.gz HLCDSXRCBGUSMA-INIZCTEOSA-N 2 2 303.450 3.091 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccccc2C2CC2)C[C@H](C)O1 ZINC001308189434 1111393939 /nfs/dbraw/zinc/39/39/39/1111393939.db2.gz WGABYUFWWIBLHN-HOTGVXAUSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCCC[C@H]1C ZINC001308202105 1111396571 /nfs/dbraw/zinc/39/65/71/1111396571.db2.gz FORCCCJOGBLZEI-CABCVRRESA-N 2 2 318.490 3.286 20 0 DGADLP COc1cncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001308360307 1111421713 /nfs/dbraw/zinc/42/17/13/1111421713.db2.gz MIDYICGGSCQMQV-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP C[C@@H](CC[NH2+]Cc1nc2c(s1)CCCC2)[NH+]1CCCCC1 ZINC001308367849 1111422422 /nfs/dbraw/zinc/42/24/22/1111422422.db2.gz YQCPFSFTSNTCSF-AWEZNQCLSA-N 2 2 307.507 3.376 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]CC3(C[NH+](C)C)CCCC3)sc2C1 ZINC001308367095 1111422532 /nfs/dbraw/zinc/42/25/32/1111422532.db2.gz WRCPYRVBSNLXKC-AWEZNQCLSA-N 2 2 321.534 3.480 20 0 DGADLP CC[N@@H+](Cc1cccnc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308575982 1111446668 /nfs/dbraw/zinc/44/66/68/1111446668.db2.gz OLONEQZVIDNBFY-GOSISDBHSA-N 2 2 324.472 3.008 20 0 DGADLP CC[N@H+](Cc1cccnc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001308575982 1111446670 /nfs/dbraw/zinc/44/66/70/1111446670.db2.gz OLONEQZVIDNBFY-GOSISDBHSA-N 2 2 324.472 3.008 20 0 DGADLP CC[NH+](Cc1cccnc1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001308575982 1111446673 /nfs/dbraw/zinc/44/66/73/1111446673.db2.gz OLONEQZVIDNBFY-GOSISDBHSA-N 2 2 324.472 3.008 20 0 DGADLP CC[NH+](Cc1cccnc1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308575982 1111446675 /nfs/dbraw/zinc/44/66/75/1111446675.db2.gz OLONEQZVIDNBFY-GOSISDBHSA-N 2 2 324.472 3.008 20 0 DGADLP CC1=CCC[N@@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308724600 1111466192 /nfs/dbraw/zinc/46/61/92/1111466192.db2.gz XUDHIIWAGSANOO-UHFFFAOYSA-N 2 2 324.371 3.222 20 0 DGADLP CC1=CCC[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308724600 1111466195 /nfs/dbraw/zinc/46/61/95/1111466195.db2.gz XUDHIIWAGSANOO-UHFFFAOYSA-N 2 2 324.371 3.222 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(O)cc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001308918057 1111493509 /nfs/dbraw/zinc/49/35/09/1111493509.db2.gz HQIFXHQCIYVXIM-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(O)cc(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001308918057 1111493512 /nfs/dbraw/zinc/49/35/12/1111493512.db2.gz HQIFXHQCIYVXIM-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001308966782 1111501304 /nfs/dbraw/zinc/50/13/04/1111501304.db2.gz AGDZKHARHURAHX-CZUORRHYSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001308966782 1111501306 /nfs/dbraw/zinc/50/13/06/1111501306.db2.gz AGDZKHARHURAHX-CZUORRHYSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC001310834912 1111573065 /nfs/dbraw/zinc/57/30/65/1111573065.db2.gz QSZZTNMMUISFLG-AWEZNQCLSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC001310834912 1111573068 /nfs/dbraw/zinc/57/30/68/1111573068.db2.gz QSZZTNMMUISFLG-AWEZNQCLSA-N 2 2 304.438 3.001 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000278264287 214054502 /nfs/dbraw/zinc/05/45/02/214054502.db2.gz ODHSEAXDFPDIRM-NSHDSACASA-N 2 2 308.422 3.026 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129038881 432001818 /nfs/dbraw/zinc/00/18/18/432001818.db2.gz XERGSUGABVCLII-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129038881 432001821 /nfs/dbraw/zinc/00/18/21/432001821.db2.gz XERGSUGABVCLII-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000286540724 219044256 /nfs/dbraw/zinc/04/42/56/219044256.db2.gz OFGQBCQLYUGQNC-INIZCTEOSA-N 2 2 320.477 3.161 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000286540724 219044259 /nfs/dbraw/zinc/04/42/59/219044259.db2.gz OFGQBCQLYUGQNC-INIZCTEOSA-N 2 2 320.477 3.161 20 0 DGADLP COc1ccc2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000062254802 432003049 /nfs/dbraw/zinc/00/30/49/432003049.db2.gz VYLYUIXXHXJWJM-HNNXBMFYSA-N 2 2 309.413 3.471 20 0 DGADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000278659240 214307181 /nfs/dbraw/zinc/30/71/81/214307181.db2.gz KKXKSIZJJMEKSI-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309590516 231099423 /nfs/dbraw/zinc/09/94/23/231099423.db2.gz CTWDLAQNJUWXKC-QGZVFWFLSA-N 2 2 315.486 3.248 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309590516 231099427 /nfs/dbraw/zinc/09/94/27/231099427.db2.gz CTWDLAQNJUWXKC-QGZVFWFLSA-N 2 2 315.486 3.248 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000310007135 231110925 /nfs/dbraw/zinc/11/09/25/231110925.db2.gz IHJKKNJCCZAUOY-UHFFFAOYSA-N 2 2 316.420 3.446 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000310007135 231110928 /nfs/dbraw/zinc/11/09/28/231110928.db2.gz IHJKKNJCCZAUOY-UHFFFAOYSA-N 2 2 316.420 3.446 20 0 DGADLP Cc1nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cs1 ZINC000278766829 214385487 /nfs/dbraw/zinc/38/54/87/214385487.db2.gz UIIGQCWXZMNZDE-UHFFFAOYSA-N 2 2 303.431 3.198 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423481573 529453965 /nfs/dbraw/zinc/45/39/65/529453965.db2.gz WXFVQYWNCBXRAX-FUHWJXTLSA-N 2 2 302.393 3.251 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129405683 432004479 /nfs/dbraw/zinc/00/44/79/432004479.db2.gz JAKASRRCMWZENP-LSDHHAIUSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129405683 432004480 /nfs/dbraw/zinc/00/44/80/432004480.db2.gz JAKASRRCMWZENP-LSDHHAIUSA-N 2 2 308.853 3.055 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845244 210240810 /nfs/dbraw/zinc/24/08/10/210240810.db2.gz KFOPMJYLNASREM-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845244 210240812 /nfs/dbraw/zinc/24/08/12/210240812.db2.gz KFOPMJYLNASREM-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845244 210240814 /nfs/dbraw/zinc/24/08/14/210240814.db2.gz KFOPMJYLNASREM-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000272845244 210240818 /nfs/dbraw/zinc/24/08/18/210240818.db2.gz KFOPMJYLNASREM-CYBMUJFWSA-N 2 2 308.853 3.049 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414982213 529567693 /nfs/dbraw/zinc/56/76/93/529567693.db2.gz RVUUEAIIUJRVIG-QGZVFWFLSA-N 2 2 312.461 3.052 20 0 DGADLP COCC[C@@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000088549862 185257566 /nfs/dbraw/zinc/25/75/66/185257566.db2.gz LGSPOUTWJVAPNQ-MRXNPFEDSA-N 2 2 319.493 3.302 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(F)c(F)cc1F ZINC000415044943 529616843 /nfs/dbraw/zinc/61/68/43/529616843.db2.gz CEMZVZAMKSDDPN-QGZVFWFLSA-N 2 2 308.347 3.456 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)[C@H]1CCOC1 ZINC000443202106 529665965 /nfs/dbraw/zinc/66/59/65/529665965.db2.gz IYTYOBDPFFKURA-NEPXVJNWSA-N 2 2 304.478 3.391 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090524815 185300395 /nfs/dbraw/zinc/30/03/95/185300395.db2.gz WEOQUZKAVCRAAS-WBAXXEDZSA-N 2 2 320.477 3.261 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090524812 185300473 /nfs/dbraw/zinc/30/04/73/185300473.db2.gz WEOQUZKAVCRAAS-JLSDUUJJSA-N 2 2 320.477 3.261 20 0 DGADLP CCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090402332 185294544 /nfs/dbraw/zinc/29/45/44/185294544.db2.gz BQDANKIBOPAXPH-WMZOPIPTSA-N 2 2 301.478 3.462 20 0 DGADLP CCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090402332 185294545 /nfs/dbraw/zinc/29/45/45/185294545.db2.gz BQDANKIBOPAXPH-WMZOPIPTSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccn1 ZINC000090667467 185308647 /nfs/dbraw/zinc/30/86/47/185308647.db2.gz GDYIMLXHGFALKY-CVEARBPZSA-N 2 2 310.445 3.353 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000092567033 185326275 /nfs/dbraw/zinc/32/62/75/185326275.db2.gz QALJSWSJWAGWBM-LMPOIIKSSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000092567033 185326276 /nfs/dbraw/zinc/32/62/76/185326276.db2.gz QALJSWSJWAGWBM-LMPOIIKSSA-N 2 2 322.493 3.102 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092568303 185326499 /nfs/dbraw/zinc/32/64/99/185326499.db2.gz QHTLKZKKVLTZRC-UHFFFAOYSA-N 2 2 318.461 3.423 20 0 DGADLP C[NH+](Cc1cnccn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000092591383 185327860 /nfs/dbraw/zinc/32/78/60/185327860.db2.gz WBGOMGXEGMYPLY-UHFFFAOYSA-N 2 2 312.461 3.067 20 0 DGADLP C[NH+](Cc1cnccn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000092591383 185327861 /nfs/dbraw/zinc/32/78/61/185327861.db2.gz WBGOMGXEGMYPLY-UHFFFAOYSA-N 2 2 312.461 3.067 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)Cc1cnccn1 ZINC000092591383 185327862 /nfs/dbraw/zinc/32/78/62/185327862.db2.gz WBGOMGXEGMYPLY-UHFFFAOYSA-N 2 2 312.461 3.067 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)Cc1cnccn1 ZINC000092591383 185327863 /nfs/dbraw/zinc/32/78/63/185327863.db2.gz WBGOMGXEGMYPLY-UHFFFAOYSA-N 2 2 312.461 3.067 20 0 DGADLP CC1(C)Cc2cccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2O1 ZINC000092648570 185331426 /nfs/dbraw/zinc/33/14/26/185331426.db2.gz NECPXCVCDKKSNM-UHFFFAOYSA-N 2 2 311.429 3.434 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648420 185331435 /nfs/dbraw/zinc/33/14/35/185331435.db2.gz QMYMJJXGCMTXED-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc(Br)c1 ZINC000275271289 212238077 /nfs/dbraw/zinc/23/80/77/212238077.db2.gz QNHZHKCUOVDBKQ-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129528013 432006611 /nfs/dbraw/zinc/00/66/11/432006611.db2.gz QJQICTHVTLQMET-FUHWJXTLSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129528013 432006613 /nfs/dbraw/zinc/00/66/13/432006613.db2.gz QJQICTHVTLQMET-FUHWJXTLSA-N 2 2 313.445 3.462 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@H]2CCCO[C@@H]21 ZINC000181586270 199323286 /nfs/dbraw/zinc/32/32/86/199323286.db2.gz BIHVXBXQAWSBQW-XWIAVFTESA-N 2 2 313.445 3.289 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)n1C ZINC000414360825 529810731 /nfs/dbraw/zinc/81/07/31/529810731.db2.gz AVXRSRODMWGMIW-QGZVFWFLSA-N 2 2 312.461 3.289 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C1CCCCC1 ZINC000433345067 529891395 /nfs/dbraw/zinc/89/13/95/529891395.db2.gz VHPZMPMFILEBLP-UHFFFAOYSA-N 2 2 316.449 3.414 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C1CCCCC1 ZINC000433345067 529891396 /nfs/dbraw/zinc/89/13/96/529891396.db2.gz VHPZMPMFILEBLP-UHFFFAOYSA-N 2 2 316.449 3.414 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000435877943 529965099 /nfs/dbraw/zinc/96/50/99/529965099.db2.gz WOXXSALWFNQXIT-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000435877943 529965101 /nfs/dbraw/zinc/96/51/01/529965101.db2.gz WOXXSALWFNQXIT-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442768509 529975139 /nfs/dbraw/zinc/97/51/39/529975139.db2.gz UAQDTNXNKWWQAJ-XYPWUTKMSA-N 2 2 315.392 3.196 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442768509 529975141 /nfs/dbraw/zinc/97/51/41/529975141.db2.gz UAQDTNXNKWWQAJ-XYPWUTKMSA-N 2 2 315.392 3.196 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025031 529985691 /nfs/dbraw/zinc/98/56/91/529985691.db2.gz YRTMLBCLIWMLAJ-YOEHRIQHSA-N 2 2 319.836 3.453 20 0 DGADLP C[N@H+](Cc1ccc(Cl)o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025031 529985692 /nfs/dbraw/zinc/98/56/92/529985692.db2.gz YRTMLBCLIWMLAJ-YOEHRIQHSA-N 2 2 319.836 3.453 20 0 DGADLP C[NH+](Cc1ccc(Cl)o1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434025031 529985694 /nfs/dbraw/zinc/98/56/94/529985694.db2.gz YRTMLBCLIWMLAJ-YOEHRIQHSA-N 2 2 319.836 3.453 20 0 DGADLP C[NH+](Cc1ccc(Cl)o1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434025031 529985696 /nfs/dbraw/zinc/98/56/96/529985696.db2.gz YRTMLBCLIWMLAJ-YOEHRIQHSA-N 2 2 319.836 3.453 20 0 DGADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c2cc(Br)ccc21 ZINC000428122923 530026320 /nfs/dbraw/zinc/02/63/20/530026320.db2.gz DHIILKWIXWWSJN-UHFFFAOYSA-N 2 2 317.190 3.357 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062665 530065479 /nfs/dbraw/zinc/06/54/79/530065479.db2.gz UTXFXKOKTFRCPR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062665 530065480 /nfs/dbraw/zinc/06/54/80/530065480.db2.gz UTXFXKOKTFRCPR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062665 530065481 /nfs/dbraw/zinc/06/54/81/530065481.db2.gz UTXFXKOKTFRCPR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000293062665 530065482 /nfs/dbraw/zinc/06/54/82/530065482.db2.gz UTXFXKOKTFRCPR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H](O)c1ccccc1 ZINC000279645584 215028813 /nfs/dbraw/zinc/02/88/13/215028813.db2.gz JUEPCZAXYIPQPG-QNDJGXFYSA-N 2 2 302.462 3.104 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H](O)c1ccccc1 ZINC000279645584 215028814 /nfs/dbraw/zinc/02/88/14/215028814.db2.gz JUEPCZAXYIPQPG-QNDJGXFYSA-N 2 2 302.462 3.104 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3[C@H](C)CCC[C@@H]3C)c2cc1C ZINC000066531791 432017112 /nfs/dbraw/zinc/01/71/12/432017112.db2.gz FIKJLPSVCBEANJ-IXDOHACOSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)c2cc1C ZINC000066531791 432017114 /nfs/dbraw/zinc/01/71/14/432017114.db2.gz FIKJLPSVCBEANJ-IXDOHACOSA-N 2 2 315.461 3.277 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529522907 313215142 /nfs/dbraw/zinc/21/51/42/313215142.db2.gz KAJFSRMYOGVYNC-UHFFFAOYSA-N 2 2 302.796 3.392 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000105480595 432018788 /nfs/dbraw/zinc/01/87/88/432018788.db2.gz JKBUCOMSLMSGMI-BBRMVZONSA-N 2 2 301.459 3.240 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000105480595 432018790 /nfs/dbraw/zinc/01/87/90/432018790.db2.gz JKBUCOMSLMSGMI-BBRMVZONSA-N 2 2 301.459 3.240 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000155868491 186119762 /nfs/dbraw/zinc/11/97/62/186119762.db2.gz XUFJZKYMKLMMRN-DAYGRLMNSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000155868491 186119764 /nfs/dbraw/zinc/11/97/64/186119764.db2.gz XUFJZKYMKLMMRN-DAYGRLMNSA-N 3 2 314.477 3.053 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000106933867 432025081 /nfs/dbraw/zinc/02/50/81/432025081.db2.gz VFVGFQMEEVSWOO-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000106933867 432025082 /nfs/dbraw/zinc/02/50/82/432025082.db2.gz VFVGFQMEEVSWOO-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000106933867 432025085 /nfs/dbraw/zinc/02/50/85/432025085.db2.gz VFVGFQMEEVSWOO-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000177905897 186202325 /nfs/dbraw/zinc/20/23/25/186202325.db2.gz SZUJYTMRWVIVMF-HOCLYGCPSA-N 2 2 323.400 3.016 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000177905897 186202327 /nfs/dbraw/zinc/20/23/27/186202327.db2.gz SZUJYTMRWVIVMF-HOCLYGCPSA-N 2 2 323.400 3.016 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836622 186261081 /nfs/dbraw/zinc/26/10/81/186261081.db2.gz LFHRBJYNJYLGLJ-SJLPKXTDSA-N 2 2 314.429 3.221 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836622 186261083 /nfs/dbraw/zinc/26/10/83/186261083.db2.gz LFHRBJYNJYLGLJ-SJLPKXTDSA-N 2 2 314.429 3.221 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000268763158 186383176 /nfs/dbraw/zinc/38/31/76/186383176.db2.gz IGEGPWDLNKDAKU-GVDBMIGSSA-N 2 2 316.445 3.125 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000268763158 186383178 /nfs/dbraw/zinc/38/31/78/186383178.db2.gz IGEGPWDLNKDAKU-GVDBMIGSSA-N 2 2 316.445 3.125 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nccn2-c2ccccc2)[C@@H](C)C1 ZINC000287199510 219375129 /nfs/dbraw/zinc/37/51/29/219375129.db2.gz WERRCFJPQOUJBA-JZXOWHBKSA-N 2 2 312.461 3.253 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nccn2-c2ccccc2)[C@@H](C)C1 ZINC000287199510 219375132 /nfs/dbraw/zinc/37/51/32/219375132.db2.gz WERRCFJPQOUJBA-JZXOWHBKSA-N 2 2 312.461 3.253 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000172681671 198136265 /nfs/dbraw/zinc/13/62/65/198136265.db2.gz AQXUGKYGLPKUAP-DNVCBOLYSA-N 2 2 312.461 3.216 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+](C)CCOc2ccccc2F)c1C ZINC000067226812 432028773 /nfs/dbraw/zinc/02/87/73/432028773.db2.gz RAVGRDVMZXVWQK-UHFFFAOYSA-N 2 2 318.392 3.357 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+](C)CCOc2ccccc2F)c1C ZINC000067226812 432028774 /nfs/dbraw/zinc/02/87/74/432028774.db2.gz RAVGRDVMZXVWQK-UHFFFAOYSA-N 2 2 318.392 3.357 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072803505 191231979 /nfs/dbraw/zinc/23/19/79/191231979.db2.gz MZDRMGCULWHTFC-GOSISDBHSA-N 3 2 312.461 3.036 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072803505 191231982 /nfs/dbraw/zinc/23/19/82/191231982.db2.gz MZDRMGCULWHTFC-GOSISDBHSA-N 3 2 312.461 3.036 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277135942 213317959 /nfs/dbraw/zinc/31/79/59/213317959.db2.gz IRPCWZRVJSRYGY-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277135942 213317961 /nfs/dbraw/zinc/31/79/61/213317961.db2.gz IRPCWZRVJSRYGY-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131111280 432032821 /nfs/dbraw/zinc/03/28/21/432032821.db2.gz HHQIHIVBEUVDGJ-GTPINHCMSA-N 2 2 324.509 3.351 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000174247662 198310387 /nfs/dbraw/zinc/31/03/87/198310387.db2.gz ACFJUPWVTKAVDV-UHFFFAOYSA-N 2 2 306.356 3.409 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000277112211 213300994 /nfs/dbraw/zinc/30/09/94/213300994.db2.gz HGHCBUSGJOBQKZ-MRXNPFEDSA-N 2 2 308.853 3.191 20 0 DGADLP COCc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1 ZINC000174413808 198331319 /nfs/dbraw/zinc/33/13/19/198331319.db2.gz LEHRXHIIMIIIJQ-UHFFFAOYSA-N 2 2 323.440 3.442 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000277112211 213300992 /nfs/dbraw/zinc/30/09/92/213300992.db2.gz HGHCBUSGJOBQKZ-MRXNPFEDSA-N 2 2 308.853 3.191 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)c(F)c1 ZINC000131252540 432033560 /nfs/dbraw/zinc/03/35/60/432033560.db2.gz AZBXMLNOKRCYQP-ZYHUDNBSSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)c(F)c1 ZINC000131252540 432033562 /nfs/dbraw/zinc/03/35/62/432033562.db2.gz AZBXMLNOKRCYQP-ZYHUDNBSSA-N 2 2 315.230 3.333 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CS1 ZINC000277087966 213283522 /nfs/dbraw/zinc/28/35/22/213283522.db2.gz GDQMKHZSCSTVMW-ZWKOTPCHSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163585996 432035794 /nfs/dbraw/zinc/03/57/94/432035794.db2.gz HXJFXNHGVOVPPT-AWEZNQCLSA-N 2 2 315.417 3.255 20 0 DGADLP Fc1ccccc1SCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131744679 432036254 /nfs/dbraw/zinc/03/62/54/432036254.db2.gz RGFIYJGDPWPFFK-HNNXBMFYSA-N 2 2 318.417 3.466 20 0 DGADLP Fc1ccccc1SCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131744679 432036257 /nfs/dbraw/zinc/03/62/57/432036257.db2.gz RGFIYJGDPWPFFK-HNNXBMFYSA-N 2 2 318.417 3.466 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCOC1 ZINC000163585387 432036361 /nfs/dbraw/zinc/03/63/61/432036361.db2.gz ACTCUGMQTUVNPU-GDBMZVCRSA-N 2 2 322.880 3.319 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163763167 432041999 /nfs/dbraw/zinc/04/19/99/432041999.db2.gz MLHDPJMXRFLKKA-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163763167 432042001 /nfs/dbraw/zinc/04/20/01/432042001.db2.gz MLHDPJMXRFLKKA-JQWIXIFHSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000332637456 235227669 /nfs/dbraw/zinc/22/76/69/235227669.db2.gz TWZKQKTVAPUXKY-CYBMUJFWSA-N 2 2 318.465 3.250 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccco1 ZINC000164402299 432047851 /nfs/dbraw/zinc/04/78/51/432047851.db2.gz KHKSBCNHJPRQSP-MRXNPFEDSA-N 2 2 306.450 3.213 20 0 DGADLP Cc1ccc([C@H](C[NH2+]Cc2cccc3[nH+]ccn32)N2CCCC2)o1 ZINC000179422295 432057019 /nfs/dbraw/zinc/05/70/19/432057019.db2.gz WCIMIKRTIBPWNI-KRWDZBQOSA-N 2 2 324.428 3.162 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000165989522 432057982 /nfs/dbraw/zinc/05/79/82/432057982.db2.gz YGAZKHASCADOIB-UHOSZYNNSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000165989522 432057984 /nfs/dbraw/zinc/05/79/84/432057984.db2.gz YGAZKHASCADOIB-UHOSZYNNSA-N 2 2 302.462 3.228 20 0 DGADLP CCCn1c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)nc2ccccc21 ZINC000237028263 202127055 /nfs/dbraw/zinc/12/70/55/202127055.db2.gz FXWBKWGHEAZETO-HNNXBMFYSA-N 2 2 311.433 3.069 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000133365176 432061801 /nfs/dbraw/zinc/06/18/01/432061801.db2.gz WSUBQJMOETYDIW-GVXVVHGQSA-N 2 2 317.260 3.411 20 0 DGADLP Clc1ccccc1OC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000133368963 432062207 /nfs/dbraw/zinc/06/22/07/432062207.db2.gz WOMNDOVZVZWVPJ-HNNXBMFYSA-N 2 2 319.836 3.328 20 0 DGADLP Clc1ccccc1OC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000133368963 432062213 /nfs/dbraw/zinc/06/22/13/432062213.db2.gz WOMNDOVZVZWVPJ-HNNXBMFYSA-N 2 2 319.836 3.328 20 0 DGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCO1 ZINC000167063213 432063979 /nfs/dbraw/zinc/06/39/79/432063979.db2.gz YDGDVJYWRCLAGP-GOSISDBHSA-N 2 2 322.880 3.463 20 0 DGADLP COc1ccc(C[C@@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000179638128 432065236 /nfs/dbraw/zinc/06/52/36/432065236.db2.gz GNOUPVQSAKNYAV-MRXNPFEDSA-N 2 2 301.434 3.092 20 0 DGADLP COc1ccc(C[C@@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000179638128 432065237 /nfs/dbraw/zinc/06/52/37/432065237.db2.gz GNOUPVQSAKNYAV-MRXNPFEDSA-N 2 2 301.434 3.092 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@@H+]1C ZINC000179552162 199053867 /nfs/dbraw/zinc/05/38/67/199053867.db2.gz ALNZXPODBGRDTB-BJZITVGISA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@H+]1C ZINC000179552162 199053869 /nfs/dbraw/zinc/05/38/69/199053869.db2.gz ALNZXPODBGRDTB-BJZITVGISA-N 2 2 313.420 3.382 20 0 DGADLP O=C(c1ccccc1)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179652186 199070578 /nfs/dbraw/zinc/07/05/78/199070578.db2.gz KYPLSIUEWUVSKV-UHFFFAOYSA-N 2 2 319.408 3.429 20 0 DGADLP COCCCOc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179838173 199086665 /nfs/dbraw/zinc/08/66/65/199086665.db2.gz DKYAQIHVLNQQRY-UHFFFAOYSA-N 2 2 320.477 3.064 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCn1cc[nH+]c1)CC3 ZINC000179963772 199100749 /nfs/dbraw/zinc/10/07/49/199100749.db2.gz MLPZPHMJPXQQEV-OAHLLOKOSA-N 2 2 308.429 3.210 20 0 DGADLP C[C@@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC[NH2+]C1 ZINC000237384413 202249718 /nfs/dbraw/zinc/24/97/18/202249718.db2.gz UZOBZABTYNFWFF-GOSISDBHSA-N 2 2 312.417 3.159 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)s1 ZINC000415054417 237039376 /nfs/dbraw/zinc/03/93/76/237039376.db2.gz LXKLRTKXAQFEQL-LLVKDONJSA-N 2 2 305.285 3.282 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000415067892 237048753 /nfs/dbraw/zinc/04/87/53/237048753.db2.gz LOAZBOAQPRRAKS-UHFFFAOYSA-N 2 2 303.269 3.051 20 0 DGADLP c1ccc(CSCC[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415036154 237023169 /nfs/dbraw/zinc/02/31/69/237023169.db2.gz FJVNSIVULJDXSK-RBUKOAKNSA-N 2 2 312.482 3.265 20 0 DGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000415108219 237082784 /nfs/dbraw/zinc/08/27/84/237082784.db2.gz PSEDFCAFRUGPBI-LALPHHSUSA-N 2 2 318.396 3.057 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC[NH2+]C3CC3)CC2)cc1 ZINC000415072245 237055707 /nfs/dbraw/zinc/05/57/07/237055707.db2.gz VXQURVCURLQZMD-UHFFFAOYSA-N 3 2 321.896 3.036 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415108802 237084638 /nfs/dbraw/zinc/08/46/38/237084638.db2.gz PCKNLQCGGWPAOX-PCCBWWKXSA-N 2 2 323.484 3.372 20 0 DGADLP Cc1cccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415126935 237098144 /nfs/dbraw/zinc/09/81/44/237098144.db2.gz HJYDHBVVDWEASU-UHFFFAOYSA-N 3 2 323.484 3.078 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000237672981 202324812 /nfs/dbraw/zinc/32/48/12/202324812.db2.gz OWQJXSRESPNFMA-INIZCTEOSA-N 2 2 310.894 3.400 20 0 DGADLP C[C@H]1CC[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550612 200265104 /nfs/dbraw/zinc/26/51/04/200265104.db2.gz JZVVSXVXPBUSIR-LPHOPBHVSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550612 200265106 /nfs/dbraw/zinc/26/51/06/200265106.db2.gz JZVVSXVXPBUSIR-LPHOPBHVSA-N 2 2 302.462 3.150 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000188774398 200302407 /nfs/dbraw/zinc/30/24/07/200302407.db2.gz JDGASIHOIGLUEL-OTBHMBEGSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000188774398 200302409 /nfs/dbraw/zinc/30/24/09/200302409.db2.gz JDGASIHOIGLUEL-OTBHMBEGSA-N 2 2 316.489 3.444 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134875319 432087765 /nfs/dbraw/zinc/08/77/65/432087765.db2.gz PHODZVZXZMNMCH-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134875319 432087766 /nfs/dbraw/zinc/08/77/66/432087766.db2.gz PHODZVZXZMNMCH-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134875319 432087769 /nfs/dbraw/zinc/08/77/69/432087769.db2.gz PHODZVZXZMNMCH-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134875319 432087770 /nfs/dbraw/zinc/08/77/70/432087770.db2.gz PHODZVZXZMNMCH-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423121797 237825873 /nfs/dbraw/zinc/82/58/73/237825873.db2.gz IZICMUPEBLKHIY-ZACCUICWSA-N 2 2 320.305 3.356 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000189233219 200367916 /nfs/dbraw/zinc/36/79/16/200367916.db2.gz BGEAECSYBXLUOL-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000189233219 200367918 /nfs/dbraw/zinc/36/79/18/200367918.db2.gz BGEAECSYBXLUOL-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP COCCC1(C[NH2+]CCCNc2cccc[nH+]2)CCCCC1 ZINC000189277264 200374603 /nfs/dbraw/zinc/37/46/03/200374603.db2.gz PUEQNBTYGBCKON-UHFFFAOYSA-N 2 2 305.466 3.460 20 0 DGADLP Cc1cc(Br)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428990809 238037194 /nfs/dbraw/zinc/03/71/94/238037194.db2.gz GYABEGOSIYCUBX-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(Br)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428990809 238037196 /nfs/dbraw/zinc/03/71/96/238037196.db2.gz GYABEGOSIYCUBX-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990809 238037197 /nfs/dbraw/zinc/03/71/97/238037197.db2.gz GYABEGOSIYCUBX-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990809 238037198 /nfs/dbraw/zinc/03/71/98/238037198.db2.gz GYABEGOSIYCUBX-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000430552386 238079260 /nfs/dbraw/zinc/07/92/60/238079260.db2.gz BDMMZSJKPJUSRH-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000430552386 238079261 /nfs/dbraw/zinc/07/92/61/238079261.db2.gz BDMMZSJKPJUSRH-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563404 238079691 /nfs/dbraw/zinc/07/96/91/238079691.db2.gz IXHOSRLYJXUGBE-WCQYABFASA-N 2 2 321.371 3.179 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563404 238079692 /nfs/dbraw/zinc/07/96/92/238079692.db2.gz IXHOSRLYJXUGBE-WCQYABFASA-N 2 2 321.371 3.179 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554598 238079794 /nfs/dbraw/zinc/07/97/94/238079794.db2.gz GKHYLXGDIWEGFU-GOEBONIOSA-N 2 2 315.486 3.293 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554598 238079795 /nfs/dbraw/zinc/07/97/95/238079795.db2.gz GKHYLXGDIWEGFU-GOEBONIOSA-N 2 2 315.486 3.293 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000430584910 238080820 /nfs/dbraw/zinc/08/08/20/238080820.db2.gz PRLQPTWJNUBDMP-MRXNPFEDSA-N 2 2 305.809 3.212 20 0 DGADLP Oc1cccc2c1C[C@H]([NH2+][C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000433038542 238144064 /nfs/dbraw/zinc/14/40/64/238144064.db2.gz KLKHDGRJWHDMKJ-RBUKOAKNSA-N 2 2 322.452 3.114 20 0 DGADLP Oc1cccc2c1C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000433038542 238144065 /nfs/dbraw/zinc/14/40/65/238144065.db2.gz KLKHDGRJWHDMKJ-RBUKOAKNSA-N 2 2 322.452 3.114 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433302030 238154442 /nfs/dbraw/zinc/15/44/42/238154442.db2.gz WWTAIMJZKUUHCB-SFHVURJKSA-N 2 2 311.429 3.060 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433302030 238154444 /nfs/dbraw/zinc/15/44/44/238154444.db2.gz WWTAIMJZKUUHCB-SFHVURJKSA-N 2 2 311.429 3.060 20 0 DGADLP CC[NH+](CC)CCN(CCCn1cc[nH+]c1)Cc1cccs1 ZINC000272019616 209390210 /nfs/dbraw/zinc/39/02/10/209390210.db2.gz VEASXBHRPGIBDN-UHFFFAOYSA-N 2 2 320.506 3.179 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@H](CC(C)C)C3)n2c1 ZINC000271989252 209364197 /nfs/dbraw/zinc/36/41/97/209364197.db2.gz LKKSLOZDFRXZGR-NVXWUHKLSA-N 2 2 301.434 3.326 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449686648 240368226 /nfs/dbraw/zinc/36/82/26/240368226.db2.gz XQKQWEALGIJZGX-LMMKCTJWSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449686648 240368231 /nfs/dbraw/zinc/36/82/31/240368231.db2.gz XQKQWEALGIJZGX-LMMKCTJWSA-N 2 2 302.462 3.228 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000271918336 209322162 /nfs/dbraw/zinc/32/21/62/209322162.db2.gz ZISUWAPHBSXQBO-ROUUACIJSA-N 2 2 313.445 3.225 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000271904093 209312019 /nfs/dbraw/zinc/31/20/19/209312019.db2.gz WGQRYKHUTHFUIV-YJBOKZPZSA-N 2 2 313.445 3.320 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccc(C)cc1)C[C@H]1CC[NH2+]C1 ZINC000435423556 238302650 /nfs/dbraw/zinc/30/26/50/238302650.db2.gz VCAOXLHVHNYBAD-KRWDZBQOSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccc(C)cc1)C[C@H]1CC[NH2+]C1 ZINC000435423556 238302653 /nfs/dbraw/zinc/30/26/53/238302653.db2.gz VCAOXLHVHNYBAD-KRWDZBQOSA-N 2 2 315.486 3.372 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193950569 201151535 /nfs/dbraw/zinc/15/15/35/201151535.db2.gz MPVZYBCXVHBGAW-KRWDZBQOSA-N 2 2 310.869 3.492 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCC=CO1 ZINC000193987696 201156949 /nfs/dbraw/zinc/15/69/49/201156949.db2.gz QARZNQRSDIAREO-GOSISDBHSA-N 2 2 315.461 3.313 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCC=CO1 ZINC000193987696 201156952 /nfs/dbraw/zinc/15/69/52/201156952.db2.gz QARZNQRSDIAREO-GOSISDBHSA-N 2 2 315.461 3.313 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000193983038 201157216 /nfs/dbraw/zinc/15/72/16/201157216.db2.gz DKXCZJFSYPTAQG-SFHVURJKSA-N 2 2 322.880 3.492 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@](C)(O)c3ccccc3)n2c1 ZINC000189844674 432097362 /nfs/dbraw/zinc/09/73/62/432097362.db2.gz KZSJUTBOTLGPRK-IBGZPJMESA-N 2 2 309.413 3.030 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246132758 432098228 /nfs/dbraw/zinc/09/82/28/432098228.db2.gz JSOPRPVNGORROI-YOEHRIQHSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246132758 432098230 /nfs/dbraw/zinc/09/82/30/432098230.db2.gz JSOPRPVNGORROI-YOEHRIQHSA-N 2 2 312.461 3.061 20 0 DGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000180751810 432098856 /nfs/dbraw/zinc/09/88/56/432098856.db2.gz DEZOWZXMSHSXOB-MJGOQNOKSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000180751810 432098859 /nfs/dbraw/zinc/09/88/59/432098859.db2.gz DEZOWZXMSHSXOB-MJGOQNOKSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000180751810 432098864 /nfs/dbraw/zinc/09/88/64/432098864.db2.gz DEZOWZXMSHSXOB-MJGOQNOKSA-N 2 2 324.472 3.003 20 0 DGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000180751810 432098868 /nfs/dbraw/zinc/09/88/68/432098868.db2.gz DEZOWZXMSHSXOB-MJGOQNOKSA-N 2 2 324.472 3.003 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cccc2[nH+]ccn21)N(C)C ZINC000442989365 239160814 /nfs/dbraw/zinc/16/08/14/239160814.db2.gz JUWBFBXFHHOENV-OXJNMPFZSA-N 2 2 322.456 3.424 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1cccc(OC)c1 ZINC000449069124 240000469 /nfs/dbraw/zinc/00/04/69/240000469.db2.gz WDIKXWHAPVMGJB-WTLGNFPFSA-N 2 2 320.477 3.234 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000449072305 240003182 /nfs/dbraw/zinc/00/31/82/240003182.db2.gz DYUAYPRNMKKSFY-QMTHXVAHSA-N 2 2 310.363 3.165 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000449072305 240003186 /nfs/dbraw/zinc/00/31/86/240003186.db2.gz DYUAYPRNMKKSFY-QMTHXVAHSA-N 2 2 310.363 3.165 20 0 DGADLP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000338777883 299349167 /nfs/dbraw/zinc/34/91/67/299349167.db2.gz IDNDWWUSPFCHHT-WFASDCNBSA-N 2 2 306.841 3.027 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C[NH+]1CCCC1 ZINC000449088443 240011487 /nfs/dbraw/zinc/01/14/87/240011487.db2.gz IKDQOMKIRXTRLO-SMDDNHRTSA-N 2 2 312.379 3.413 20 0 DGADLP Cc1cccc(CC[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000449093815 240013880 /nfs/dbraw/zinc/01/38/80/240013880.db2.gz YSMWWHHNDYZULX-UHFFFAOYSA-N 2 2 324.468 3.160 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2F)CC[N@@H+]1Cc1ccccc1 ZINC000449171472 240051103 /nfs/dbraw/zinc/05/11/03/240051103.db2.gz AIGJNLAWNXZHOA-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2F)CC[N@H+]1Cc1ccccc1 ZINC000449171472 240051107 /nfs/dbraw/zinc/05/11/07/240051107.db2.gz AIGJNLAWNXZHOA-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000449256613 240094600 /nfs/dbraw/zinc/09/46/00/240094600.db2.gz JOXXFXPMTNNEOY-FHLIZLRMSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000449256613 240094606 /nfs/dbraw/zinc/09/46/06/240094606.db2.gz JOXXFXPMTNNEOY-FHLIZLRMSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000449352002 240151083 /nfs/dbraw/zinc/15/10/83/240151083.db2.gz SZYNZDHPVQETOI-ZDUSSCGKSA-N 2 2 319.836 3.430 20 0 DGADLP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449500567 240248010 /nfs/dbraw/zinc/24/80/10/240248010.db2.gz VDECPGCTJIPOQQ-CQSZACIVSA-N 2 2 309.404 3.071 20 0 DGADLP Cc1csc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000449474673 240229953 /nfs/dbraw/zinc/22/99/53/240229953.db2.gz DIFQYRWBSHMLGJ-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481253 240234030 /nfs/dbraw/zinc/23/40/30/240234030.db2.gz RSVBPEIYZXMBEY-KMFMINBZSA-N 2 2 322.880 3.285 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481253 240234033 /nfs/dbraw/zinc/23/40/33/240234033.db2.gz RSVBPEIYZXMBEY-KMFMINBZSA-N 2 2 322.880 3.285 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c[nH+]c12 ZINC000449510722 240258393 /nfs/dbraw/zinc/25/83/93/240258393.db2.gz LVYNUUUONHFCTH-IRXDYDNUSA-N 2 2 303.450 3.021 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c[nH+]c12 ZINC000449510721 240258479 /nfs/dbraw/zinc/25/84/79/240258479.db2.gz LVYNUUUONHFCTH-IAGOWNOFSA-N 2 2 303.450 3.021 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560579 240291029 /nfs/dbraw/zinc/29/10/29/240291029.db2.gz MXTDBHCFLJEGDZ-QFMLELGNSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560579 240291032 /nfs/dbraw/zinc/29/10/32/240291032.db2.gz MXTDBHCFLJEGDZ-QFMLELGNSA-N 3 2 319.537 3.244 20 0 DGADLP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449711931 240379806 /nfs/dbraw/zinc/37/98/06/240379806.db2.gz PQMHIAIBNKZIOA-YJBOKZPZSA-N 2 2 322.880 3.055 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000171140754 432105585 /nfs/dbraw/zinc/10/55/85/432105585.db2.gz DAFLOVVCNJQAAB-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1Br ZINC000091467569 193060854 /nfs/dbraw/zinc/06/08/54/193060854.db2.gz JWWXWEYCKRYVTG-UHFFFAOYSA-N 2 2 308.223 3.134 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961006 193132754 /nfs/dbraw/zinc/13/27/54/193132754.db2.gz PLXGZVDKWGSADV-ZBEGNZNMSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961006 193132757 /nfs/dbraw/zinc/13/27/57/193132757.db2.gz PLXGZVDKWGSADV-ZBEGNZNMSA-N 2 2 309.335 3.384 20 0 DGADLP COc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066877 193151674 /nfs/dbraw/zinc/15/16/74/193151674.db2.gz YSUWURWXPDGAPQ-QAPCUYQASA-N 2 2 300.446 3.144 20 0 DGADLP COc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066877 193151677 /nfs/dbraw/zinc/15/16/77/193151677.db2.gz YSUWURWXPDGAPQ-QAPCUYQASA-N 2 2 300.446 3.144 20 0 DGADLP COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066877 193151678 /nfs/dbraw/zinc/15/16/78/193151678.db2.gz YSUWURWXPDGAPQ-QAPCUYQASA-N 2 2 300.446 3.144 20 0 DGADLP COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066877 193151680 /nfs/dbraw/zinc/15/16/80/193151680.db2.gz YSUWURWXPDGAPQ-QAPCUYQASA-N 2 2 300.446 3.144 20 0 DGADLP CC(C)COCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107000 241316863 /nfs/dbraw/zinc/31/68/63/241316863.db2.gz AAPSKGJDZXODBC-UHFFFAOYSA-N 2 2 310.404 3.008 20 0 DGADLP CC(C)COCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107000 241316866 /nfs/dbraw/zinc/31/68/66/241316866.db2.gz AAPSKGJDZXODBC-UHFFFAOYSA-N 2 2 310.404 3.008 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C[N@H+](Cc2ccccc2)C1 ZINC000275285938 212250700 /nfs/dbraw/zinc/25/07/00/212250700.db2.gz UBBIZNDPFYIARM-LMCOJAPRSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C[N@@H+](Cc2ccccc2)C1 ZINC000275285938 212250701 /nfs/dbraw/zinc/25/07/01/212250701.db2.gz UBBIZNDPFYIARM-LMCOJAPRSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000084047184 283933183 /nfs/dbraw/zinc/93/31/83/283933183.db2.gz QOUZBUSPHIOLPF-UHFFFAOYSA-N 2 2 315.417 3.002 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000246233414 432110958 /nfs/dbraw/zinc/11/09/58/432110958.db2.gz KNLNQGKFJZUITE-XJKSGUPXSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000246233414 432110960 /nfs/dbraw/zinc/11/09/60/432110960.db2.gz KNLNQGKFJZUITE-XJKSGUPXSA-N 2 2 303.381 3.114 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271289 212238068 /nfs/dbraw/zinc/23/80/68/212238068.db2.gz QNHZHKCUOVDBKQ-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271289 212238070 /nfs/dbraw/zinc/23/80/70/212238070.db2.gz QNHZHKCUOVDBKQ-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc(Br)c1 ZINC000275271289 212238074 /nfs/dbraw/zinc/23/80/74/212238074.db2.gz QNHZHKCUOVDBKQ-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455473775 242209992 /nfs/dbraw/zinc/20/99/92/242209992.db2.gz JSSQYILGSGYEKX-MRXNPFEDSA-N 2 2 318.465 3.393 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455473775 242209995 /nfs/dbraw/zinc/20/99/95/242209995.db2.gz JSSQYILGSGYEKX-MRXNPFEDSA-N 2 2 318.465 3.393 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000455475053 242210304 /nfs/dbraw/zinc/21/03/04/242210304.db2.gz KNLZLCVVEGDTJZ-MRXNPFEDSA-N 2 2 316.449 3.099 20 0 DGADLP CCc1noc(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000293095537 223394869 /nfs/dbraw/zinc/39/48/69/223394869.db2.gz XJKXJZXEWLAFFX-UHFFFAOYSA-N 2 2 313.445 3.300 20 0 DGADLP c1cc(N2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)cc[nH+]1 ZINC000459376172 243352087 /nfs/dbraw/zinc/35/20/87/243352087.db2.gz RAUSOVZOCHJIHR-UHFFFAOYSA-N 2 2 323.444 3.158 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000459423413 243364396 /nfs/dbraw/zinc/36/43/96/243364396.db2.gz JPQJJGWBKUJFDL-YPMHNXCESA-N 2 2 312.841 3.017 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1O ZINC000459423413 243364397 /nfs/dbraw/zinc/36/43/97/243364397.db2.gz JPQJJGWBKUJFDL-YPMHNXCESA-N 2 2 312.841 3.017 20 0 DGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000468515902 244048389 /nfs/dbraw/zinc/04/83/89/244048389.db2.gz HLHWJEZARFZIRY-FUHWJXTLSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000468515902 244048391 /nfs/dbraw/zinc/04/83/91/244048391.db2.gz HLHWJEZARFZIRY-FUHWJXTLSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000468515902 244048394 /nfs/dbraw/zinc/04/83/94/244048394.db2.gz HLHWJEZARFZIRY-FUHWJXTLSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000468515902 244048398 /nfs/dbraw/zinc/04/83/98/244048398.db2.gz HLHWJEZARFZIRY-FUHWJXTLSA-N 2 2 302.462 3.392 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000468963273 244077444 /nfs/dbraw/zinc/07/74/44/244077444.db2.gz MHNHILZUCWVTSP-QYZOEREBSA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000468963273 244077451 /nfs/dbraw/zinc/07/74/51/244077451.db2.gz MHNHILZUCWVTSP-QYZOEREBSA-N 3 2 309.542 3.063 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1Br ZINC000469060298 244082857 /nfs/dbraw/zinc/08/28/57/244082857.db2.gz VOCQGRVBONYZPX-JSGCOSHPSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1Br ZINC000469060298 244082863 /nfs/dbraw/zinc/08/28/63/244082863.db2.gz VOCQGRVBONYZPX-JSGCOSHPSA-N 2 2 311.267 3.187 20 0 DGADLP C[C@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000470364959 244167568 /nfs/dbraw/zinc/16/75/68/244167568.db2.gz XGOMPCKHJBCWIH-CJNGLKHVSA-N 2 2 312.910 3.470 20 0 DGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000471841809 244257201 /nfs/dbraw/zinc/25/72/01/244257201.db2.gz ZUYVBYHHKGDXOS-SJLPKXTDSA-N 2 2 315.486 3.315 20 0 DGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cscn1 ZINC000471841809 244257207 /nfs/dbraw/zinc/25/72/07/244257207.db2.gz ZUYVBYHHKGDXOS-SJLPKXTDSA-N 2 2 315.486 3.315 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000471612299 244221944 /nfs/dbraw/zinc/22/19/44/244221944.db2.gz SFMGLZXEDOGPGF-SPUZQDLCSA-N 2 2 304.478 3.471 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000474045902 244363145 /nfs/dbraw/zinc/36/31/45/244363145.db2.gz QDRPYMPRRHMRTJ-VMDGZTHMSA-N 2 2 314.473 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000474045902 244363149 /nfs/dbraw/zinc/36/31/49/244363149.db2.gz QDRPYMPRRHMRTJ-VMDGZTHMSA-N 2 2 314.473 3.490 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000093371030 193239280 /nfs/dbraw/zinc/23/92/80/193239280.db2.gz QEWRUEJAYHKFRD-LBPRGKRZSA-N 2 2 305.491 3.299 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1nccs1 ZINC000093371576 193240948 /nfs/dbraw/zinc/24/09/48/193240948.db2.gz WPRXDKMJIFTJFE-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1nccs1 ZINC000093371576 193240950 /nfs/dbraw/zinc/24/09/50/193240950.db2.gz WPRXDKMJIFTJFE-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563657 193268533 /nfs/dbraw/zinc/26/85/33/193268533.db2.gz KBARWYJQKOWJRB-CQSZACIVSA-N 2 2 324.900 3.086 20 0 DGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563657 193268535 /nfs/dbraw/zinc/26/85/35/193268535.db2.gz KBARWYJQKOWJRB-CQSZACIVSA-N 2 2 324.900 3.086 20 0 DGADLP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000093564176 193269071 /nfs/dbraw/zinc/26/90/71/193269071.db2.gz XGJFQOQVXSSBLF-QGZVFWFLSA-N 2 2 304.482 3.088 20 0 DGADLP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000093564176 193269073 /nfs/dbraw/zinc/26/90/73/193269073.db2.gz XGJFQOQVXSSBLF-QGZVFWFLSA-N 2 2 304.482 3.088 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741995 193298415 /nfs/dbraw/zinc/29/84/15/193298415.db2.gz SZKDIGDHVFMTFQ-HNNXBMFYSA-N 2 2 316.449 3.142 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741995 193298416 /nfs/dbraw/zinc/29/84/16/193298416.db2.gz SZKDIGDHVFMTFQ-HNNXBMFYSA-N 2 2 316.449 3.142 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741995 193298418 /nfs/dbraw/zinc/29/84/18/193298418.db2.gz SZKDIGDHVFMTFQ-HNNXBMFYSA-N 2 2 316.449 3.142 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093741995 193298420 /nfs/dbraw/zinc/29/84/20/193298420.db2.gz SZKDIGDHVFMTFQ-HNNXBMFYSA-N 2 2 316.449 3.142 20 0 DGADLP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094342069 193362747 /nfs/dbraw/zinc/36/27/47/193362747.db2.gz SNTOWTHRFRPZAY-GWCFXTLKSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094342069 193362748 /nfs/dbraw/zinc/36/27/48/193362748.db2.gz SNTOWTHRFRPZAY-GWCFXTLKSA-N 2 2 303.233 3.041 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)c1 ZINC000121007510 284184866 /nfs/dbraw/zinc/18/48/66/284184866.db2.gz VCXQEACYLGCJDG-IBGZPJMESA-N 2 2 302.462 3.092 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000486978658 245007754 /nfs/dbraw/zinc/00/77/54/245007754.db2.gz BWUFTTXBCWVXAQ-DAXSKMNVSA-N 2 2 318.424 3.172 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000486980668 245009541 /nfs/dbraw/zinc/00/95/41/245009541.db2.gz KKJTYJUBQUFBTE-WMZOPIPTSA-N 2 2 324.472 3.344 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000486980668 245009548 /nfs/dbraw/zinc/00/95/48/245009548.db2.gz KKJTYJUBQUFBTE-WMZOPIPTSA-N 2 2 324.472 3.344 20 0 DGADLP Fc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000488300065 245174282 /nfs/dbraw/zinc/17/42/82/245174282.db2.gz RLYVIJAHXSLCCC-AWEZNQCLSA-N 2 2 301.409 3.225 20 0 DGADLP Fc1ccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)[nH]c2c1 ZINC000488300065 245174286 /nfs/dbraw/zinc/17/42/86/245174286.db2.gz RLYVIJAHXSLCCC-AWEZNQCLSA-N 2 2 301.409 3.225 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H]3C[C@H]3C)[nH+]c12 ZINC000488562298 245211811 /nfs/dbraw/zinc/21/18/11/245211811.db2.gz RONBKSQAVPAFDW-PWSUYJOCSA-N 2 2 322.250 3.193 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246365908 432123866 /nfs/dbraw/zinc/12/38/66/432123866.db2.gz IVURHDQTDYNWAM-SOUVJXGZSA-N 2 2 300.450 3.190 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246365908 432123869 /nfs/dbraw/zinc/12/38/69/432123869.db2.gz IVURHDQTDYNWAM-SOUVJXGZSA-N 2 2 300.450 3.190 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489805506 245350655 /nfs/dbraw/zinc/35/06/55/245350655.db2.gz YRMBCJNKTBVQNP-MBOZVWFJSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489805506 245350656 /nfs/dbraw/zinc/35/06/56/245350656.db2.gz YRMBCJNKTBVQNP-MBOZVWFJSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000264871878 204226028 /nfs/dbraw/zinc/22/60/28/204226028.db2.gz OTGHMTBBPKVTCU-QGZVFWFLSA-N 2 2 309.457 3.439 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000282467757 217017945 /nfs/dbraw/zinc/01/79/45/217017945.db2.gz GHKJVJMVFKDSMA-NEPXVJNWSA-N 2 2 304.478 3.473 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000282467753 217018765 /nfs/dbraw/zinc/01/87/65/217018765.db2.gz GHKJVJMVFKDSMA-KCITZHQASA-N 2 2 304.478 3.473 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000282616026 217127220 /nfs/dbraw/zinc/12/72/20/217127220.db2.gz ZKADQUTWBDUKHP-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000282616026 217127222 /nfs/dbraw/zinc/12/72/22/217127222.db2.gz ZKADQUTWBDUKHP-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP Clc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)n1 ZINC000282650443 217152925 /nfs/dbraw/zinc/15/29/25/217152925.db2.gz CIHYHBADMJITCO-NSHDSACASA-N 2 2 311.216 3.491 20 0 DGADLP Clc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)n1 ZINC000282650443 217152926 /nfs/dbraw/zinc/15/29/26/217152926.db2.gz CIHYHBADMJITCO-NSHDSACASA-N 2 2 311.216 3.491 20 0 DGADLP COCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000266204962 205181208 /nfs/dbraw/zinc/18/12/08/205181208.db2.gz MIYJVZNBCBWZNF-HXUWFJFHSA-N 2 2 310.441 3.197 20 0 DGADLP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000266204962 205181211 /nfs/dbraw/zinc/18/12/11/205181211.db2.gz MIYJVZNBCBWZNF-HXUWFJFHSA-N 2 2 310.441 3.197 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000268765433 432129350 /nfs/dbraw/zinc/12/93/50/432129350.db2.gz PSLTXCIBFBHKJK-GFCCVEGCSA-N 2 2 322.424 3.120 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129045672 284396205 /nfs/dbraw/zinc/39/62/05/284396205.db2.gz LRDPFONUQZFGDS-YGRLFVJLSA-N 2 2 304.331 3.274 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129045672 284396207 /nfs/dbraw/zinc/39/62/07/284396207.db2.gz LRDPFONUQZFGDS-YGRLFVJLSA-N 2 2 304.331 3.274 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000288533685 220210777 /nfs/dbraw/zinc/21/07/77/220210777.db2.gz VYYGFZZJVVYMNJ-APWZRJJASA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000288533685 220210781 /nfs/dbraw/zinc/21/07/81/220210781.db2.gz VYYGFZZJVVYMNJ-APWZRJJASA-N 2 2 320.440 3.087 20 0 DGADLP Brc1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128738 182189791 /nfs/dbraw/zinc/18/97/91/182189791.db2.gz XWDYHLNSAAYBJH-UHFFFAOYSA-N 2 2 301.228 3.008 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(Br)o2)CC1 ZINC000020146251 182192262 /nfs/dbraw/zinc/19/22/62/182192262.db2.gz ZIGDCGBCSAWCPA-UHFFFAOYSA-N 2 2 315.255 3.254 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493945037 246098808 /nfs/dbraw/zinc/09/88/08/246098808.db2.gz NEBGUBITBFEASM-MDMSPXHWSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493945037 246098813 /nfs/dbraw/zinc/09/88/13/246098813.db2.gz NEBGUBITBFEASM-MDMSPXHWSA-N 2 2 306.494 3.187 20 0 DGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cnc21 ZINC000267464624 206087452 /nfs/dbraw/zinc/08/74/52/206087452.db2.gz WBXZUDXXXPKSSN-OAHLLOKOSA-N 2 2 324.432 3.115 20 0 DGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cnc21 ZINC000267464624 206087454 /nfs/dbraw/zinc/08/74/54/206087454.db2.gz WBXZUDXXXPKSSN-OAHLLOKOSA-N 2 2 324.432 3.115 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000494648699 246175437 /nfs/dbraw/zinc/17/54/37/246175437.db2.gz OCEQDORZVUYEGG-IFXJQAMLSA-N 2 2 311.473 3.345 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000494648699 246175440 /nfs/dbraw/zinc/17/54/40/246175440.db2.gz OCEQDORZVUYEGG-IFXJQAMLSA-N 2 2 311.473 3.345 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000494920785 246211125 /nfs/dbraw/zinc/21/11/25/246211125.db2.gz HUPZIHFAGLOTNS-NVXWUHKLSA-N 2 2 319.497 3.138 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC000495258915 246251183 /nfs/dbraw/zinc/25/11/83/246251183.db2.gz HEQVNGCPGURBLS-QGZVFWFLSA-N 2 2 302.462 3.018 20 0 DGADLP COC(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000495689841 246297602 /nfs/dbraw/zinc/29/76/02/246297602.db2.gz UZYLOZFRJPKVRD-UHFFFAOYSA-N 2 2 324.384 3.111 20 0 DGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000268796725 432136717 /nfs/dbraw/zinc/13/67/17/432136717.db2.gz GGPQXVNURNNAPL-HIFRSBDPSA-N 2 2 303.406 3.030 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCCNc2cccc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC000181672665 432142173 /nfs/dbraw/zinc/14/21/73/432142173.db2.gz SYHXNTOOHTXFGC-UAGQMJEPSA-N 2 2 303.450 3.067 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000268832579 432143892 /nfs/dbraw/zinc/14/38/92/432143892.db2.gz RHIHEJIHBURKJD-LSDHHAIUSA-N 2 2 317.433 3.420 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000268832575 432144477 /nfs/dbraw/zinc/14/44/77/432144477.db2.gz RHIHEJIHBURKJD-GJZGRUSLSA-N 2 2 317.433 3.420 20 0 DGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000041119643 183167138 /nfs/dbraw/zinc/16/71/38/183167138.db2.gz PTORPIITVNHETC-AWEZNQCLSA-N 2 2 308.223 3.387 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Br ZINC000042419248 183267376 /nfs/dbraw/zinc/26/73/76/183267376.db2.gz YSDQVJZGGWYQPL-XUJVJEKNSA-N 2 2 311.267 3.267 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Br ZINC000042419248 183267378 /nfs/dbraw/zinc/26/73/78/183267378.db2.gz YSDQVJZGGWYQPL-XUJVJEKNSA-N 2 2 311.267 3.267 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000284498635 218052375 /nfs/dbraw/zinc/05/23/75/218052375.db2.gz XKGVWLCKZMVOHU-UHFFFAOYSA-N 2 2 323.444 3.373 20 0 DGADLP Cc1[nH+]cccc1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000284891667 218225154 /nfs/dbraw/zinc/22/51/54/218225154.db2.gz AAEPHTZLWRNXEF-UHFFFAOYSA-N 2 2 308.385 3.092 20 0 DGADLP CC[C@H](C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268849653 207018023 /nfs/dbraw/zinc/01/80/23/207018023.db2.gz CNAMDIAIWAPTFG-KSSFIOAISA-N 2 2 324.896 3.301 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000268878704 207047966 /nfs/dbraw/zinc/04/79/66/207047966.db2.gz XGEKQTKFFONORG-DGCLKSJQSA-N 2 2 317.260 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268914335 207081856 /nfs/dbraw/zinc/08/18/56/207081856.db2.gz UKBBHXNVBFLQEN-UZLBHIALSA-N 2 2 321.424 3.431 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[C@H](C)O ZINC000268992539 207149020 /nfs/dbraw/zinc/14/90/20/207149020.db2.gz MXQBCTLBRBLSDD-CABCVRRESA-N 2 2 324.896 3.301 20 0 DGADLP CC[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269049798 207197814 /nfs/dbraw/zinc/19/78/14/207197814.db2.gz ZEFWASXTAURFHT-MRXNPFEDSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@H](CCCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269042823 207191484 /nfs/dbraw/zinc/19/14/84/207191484.db2.gz XRFSXZPRXQODFR-CQSZACIVSA-N 2 2 310.869 3.055 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000061680931 184182105 /nfs/dbraw/zinc/18/21/05/184182105.db2.gz MVHXDKSQDYYYGH-UHFFFAOYSA-N 2 2 301.459 3.384 20 0 DGADLP C[C@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000269128537 207262363 /nfs/dbraw/zinc/26/23/63/207262363.db2.gz HMJZGCFOBXQARJ-LSDHHAIUSA-N 2 2 302.466 3.213 20 0 DGADLP Brc1cccc([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451564952 532969283 /nfs/dbraw/zinc/96/92/83/532969283.db2.gz HLIGKRXLBFFXHT-CQSZACIVSA-N 2 2 320.234 3.135 20 0 DGADLP Brc1cccc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451564952 532969288 /nfs/dbraw/zinc/96/92/88/532969288.db2.gz HLIGKRXLBFFXHT-CQSZACIVSA-N 2 2 320.234 3.135 20 0 DGADLP CCCC(O)(CCC)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000119709403 195023151 /nfs/dbraw/zinc/02/31/51/195023151.db2.gz SFXHWYTUYCNTES-UHFFFAOYSA-N 2 2 301.434 3.293 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000119712738 195023718 /nfs/dbraw/zinc/02/37/18/195023718.db2.gz NLGSMNCPJPLJTI-MRXNPFEDSA-N 2 2 324.472 3.209 20 0 DGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119873096 195053315 /nfs/dbraw/zinc/05/33/15/195053315.db2.gz VGQRJPLYQRCJAN-FCEWJHQRSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119873096 195053318 /nfs/dbraw/zinc/05/33/18/195053318.db2.gz VGQRJPLYQRCJAN-FCEWJHQRSA-N 2 2 302.462 3.071 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000119962559 195070284 /nfs/dbraw/zinc/07/02/84/195070284.db2.gz STCORCIJWQWHGF-SOLBZPMBSA-N 2 2 320.477 3.235 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000119962559 195070286 /nfs/dbraw/zinc/07/02/86/195070286.db2.gz STCORCIJWQWHGF-SOLBZPMBSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000119944420 195067014 /nfs/dbraw/zinc/06/70/14/195067014.db2.gz FRJBIBZROSPDAP-HOTGVXAUSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000119944420 195067016 /nfs/dbraw/zinc/06/70/16/195067016.db2.gz FRJBIBZROSPDAP-HOTGVXAUSA-N 2 2 314.477 3.488 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000249172440 285061596 /nfs/dbraw/zinc/06/15/96/285061596.db2.gz CJHNIZKPHXPWEJ-BRWVUGGUSA-N 2 2 316.424 3.101 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCCS2 ZINC000249196379 285062452 /nfs/dbraw/zinc/06/24/52/285062452.db2.gz QZWCTSNCLBILQS-CJNGLKHVSA-N 2 2 306.475 3.306 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCCS2 ZINC000249196379 285062456 /nfs/dbraw/zinc/06/24/56/285062456.db2.gz QZWCTSNCLBILQS-CJNGLKHVSA-N 2 2 306.475 3.306 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC(F)F)C[NH+](C)C ZINC000336833882 253003817 /nfs/dbraw/zinc/00/38/17/253003817.db2.gz PPJUAERDJGXNSX-JTQLQIEISA-N 2 2 306.784 3.229 20 0 DGADLP [NH3+][C@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000337048682 253040861 /nfs/dbraw/zinc/04/08/61/253040861.db2.gz HWHMJFRDTHJOIE-SFTDATJTSA-N 2 2 324.468 3.063 20 0 DGADLP [NH3+][C@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000337048682 253040862 /nfs/dbraw/zinc/04/08/62/253040862.db2.gz HWHMJFRDTHJOIE-SFTDATJTSA-N 2 2 324.468 3.063 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269392 253074733 /nfs/dbraw/zinc/07/47/33/253074733.db2.gz LQKRLUDPMKLERU-AWEZNQCLSA-N 2 2 323.868 3.085 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269392 253074736 /nfs/dbraw/zinc/07/47/36/253074736.db2.gz LQKRLUDPMKLERU-AWEZNQCLSA-N 2 2 323.868 3.085 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)oc1C ZINC000337481918 253124756 /nfs/dbraw/zinc/12/47/56/253124756.db2.gz QZEQQTZCERVROK-QGTPRVQTSA-N 2 2 320.477 3.315 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1C ZINC000337417755 253111827 /nfs/dbraw/zinc/11/18/27/253111827.db2.gz DQLRMJGVGRNISM-HRCADAONSA-N 2 2 304.482 3.032 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1C ZINC000337417755 253111828 /nfs/dbraw/zinc/11/18/28/253111828.db2.gz DQLRMJGVGRNISM-HRCADAONSA-N 2 2 304.482 3.032 20 0 DGADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337357877 253096313 /nfs/dbraw/zinc/09/63/13/253096313.db2.gz BKVJMVDWKMFNII-IBGZPJMESA-N 2 2 312.413 3.306 20 0 DGADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337357877 253096316 /nfs/dbraw/zinc/09/63/16/253096316.db2.gz BKVJMVDWKMFNII-IBGZPJMESA-N 2 2 312.413 3.306 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1F ZINC000338017281 253210742 /nfs/dbraw/zinc/21/07/42/253210742.db2.gz LBQJLHMFBLPGEU-LLVKDONJSA-N 2 2 319.346 3.288 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000159197774 197335247 /nfs/dbraw/zinc/33/52/47/197335247.db2.gz OHTNDJZRFSBFEY-HNNXBMFYSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000159197774 197335249 /nfs/dbraw/zinc/33/52/49/197335249.db2.gz OHTNDJZRFSBFEY-HNNXBMFYSA-N 2 2 308.853 3.266 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]CC3=CCCOC3)ccc2n1C1CC1 ZINC000338462736 253291711 /nfs/dbraw/zinc/29/17/11/253291711.db2.gz UCSIIFKAEFVBQP-UHFFFAOYSA-N 2 2 311.429 3.370 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566460 253312101 /nfs/dbraw/zinc/31/21/01/253312101.db2.gz IUJFNUVCKSMKSX-FUHWJXTLSA-N 2 2 313.445 3.062 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566460 253312102 /nfs/dbraw/zinc/31/21/02/253312102.db2.gz IUJFNUVCKSMKSX-FUHWJXTLSA-N 2 2 313.445 3.062 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000338963604 253380659 /nfs/dbraw/zinc/38/06/59/253380659.db2.gz FBPFUISXZSSLKC-GOEBONIOSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000338963604 253380662 /nfs/dbraw/zinc/38/06/62/253380662.db2.gz FBPFUISXZSSLKC-GOEBONIOSA-N 2 2 312.404 3.116 20 0 DGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000296584748 533085365 /nfs/dbraw/zinc/08/53/65/533085365.db2.gz UPJWTUCOKRWATG-HMQMGEFJSA-N 2 2 308.853 3.242 20 0 DGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000296584748 533085367 /nfs/dbraw/zinc/08/53/67/533085367.db2.gz UPJWTUCOKRWATG-HMQMGEFJSA-N 2 2 308.853 3.242 20 0 DGADLP Cc1cccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)[nH+]1 ZINC000158369244 197266503 /nfs/dbraw/zinc/26/65/03/197266503.db2.gz NRORKJBPLHAYID-UHFFFAOYSA-N 2 2 318.424 3.392 20 0 DGADLP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000341304406 253784607 /nfs/dbraw/zinc/78/46/07/253784607.db2.gz PNIAOAQEGPBTCN-KBPBESRZSA-N 2 2 310.869 3.053 20 0 DGADLP CCc1nc(N(CC[NH+](C)C)Cc2ccccc2F)cc(C)[nH+]1 ZINC000342680114 254030899 /nfs/dbraw/zinc/03/08/99/254030899.db2.gz OENBCHOCNMIQPG-UHFFFAOYSA-N 2 2 316.424 3.055 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000342696828 254034119 /nfs/dbraw/zinc/03/41/19/254034119.db2.gz ZQEWINIZILEBKL-UHFFFAOYSA-N 2 2 318.490 3.065 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000342696828 254034122 /nfs/dbraw/zinc/03/41/22/254034122.db2.gz ZQEWINIZILEBKL-UHFFFAOYSA-N 2 2 318.490 3.065 20 0 DGADLP CCC1CC(Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000342705507 254035918 /nfs/dbraw/zinc/03/59/18/254035918.db2.gz HWICAWCZIWOMKJ-UHFFFAOYSA-N 2 2 302.466 3.213 20 0 DGADLP CCC1(CC)[C@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C[C@@H]1OC ZINC000342930376 254076381 /nfs/dbraw/zinc/07/63/81/254076381.db2.gz UJDYBEBYNAQBRG-CVEARBPZSA-N 2 2 301.434 3.360 20 0 DGADLP CCC1(CC)[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C[C@@H]1OC ZINC000342930376 254076383 /nfs/dbraw/zinc/07/63/83/254076383.db2.gz UJDYBEBYNAQBRG-CVEARBPZSA-N 2 2 301.434 3.360 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342733631 254039333 /nfs/dbraw/zinc/03/93/33/254039333.db2.gz USSYLCDELXEEAJ-HOTGVXAUSA-N 2 2 318.509 3.232 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000342746732 254041735 /nfs/dbraw/zinc/04/17/35/254041735.db2.gz GXIXTTFRCNKRKZ-DOMZBBRYSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000342746732 254041736 /nfs/dbraw/zinc/04/17/36/254041736.db2.gz GXIXTTFRCNKRKZ-DOMZBBRYSA-N 2 2 302.447 3.300 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000343578299 254163987 /nfs/dbraw/zinc/16/39/87/254163987.db2.gz BKYRCIALBDDDDO-CQSZACIVSA-N 2 2 303.406 3.031 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343766530 254185631 /nfs/dbraw/zinc/18/56/31/254185631.db2.gz OAXRNXCZJIXSRA-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343766530 254185633 /nfs/dbraw/zinc/18/56/33/254185633.db2.gz OAXRNXCZJIXSRA-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343766522 254185718 /nfs/dbraw/zinc/18/57/18/254185718.db2.gz OAXRNXCZJIXSRA-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343766522 254185721 /nfs/dbraw/zinc/18/57/21/254185721.db2.gz OAXRNXCZJIXSRA-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Cc1cc(N(C)CCC[N@H+](C)Cc2ccco2)nc(C(C)C)[nH+]1 ZINC000343821956 254192583 /nfs/dbraw/zinc/19/25/83/254192583.db2.gz YURJVJRLLJYKQL-UHFFFAOYSA-N 2 2 316.449 3.460 20 0 DGADLP Cc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)nc(C(C)C)[nH+]1 ZINC000343821956 254192584 /nfs/dbraw/zinc/19/25/84/254192584.db2.gz YURJVJRLLJYKQL-UHFFFAOYSA-N 2 2 316.449 3.460 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846552 254196019 /nfs/dbraw/zinc/19/60/19/254196019.db2.gz ZOZVDZOQFGCGKX-ZJUUUORDSA-N 2 2 307.385 3.154 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343846552 254196020 /nfs/dbraw/zinc/19/60/20/254196020.db2.gz ZOZVDZOQFGCGKX-ZJUUUORDSA-N 2 2 307.385 3.154 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343868176 254197963 /nfs/dbraw/zinc/19/79/63/254197963.db2.gz WIRMGVLVXRBICP-VIFPVBQESA-N 2 2 307.385 3.297 20 0 DGADLP Fc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000343880924 254199786 /nfs/dbraw/zinc/19/97/86/254199786.db2.gz CCNQWOSECBJSEE-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C12CCCC2 ZINC000344157819 254233492 /nfs/dbraw/zinc/23/34/92/254233492.db2.gz BJZFXRMEEGKOMU-CVEARBPZSA-N 2 2 303.450 3.211 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000344621170 254289803 /nfs/dbraw/zinc/28/98/03/254289803.db2.gz YBUCVKBDFLVLMG-QFHJOOASSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000344621170 254289804 /nfs/dbraw/zinc/28/98/04/254289804.db2.gz YBUCVKBDFLVLMG-QFHJOOASSA-N 2 2 304.478 3.209 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1Br ZINC000344350381 254260635 /nfs/dbraw/zinc/26/06/35/254260635.db2.gz IOXGCBSWCXHELF-WFASDCNBSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1Br ZINC000344350381 254260637 /nfs/dbraw/zinc/26/06/37/254260637.db2.gz IOXGCBSWCXHELF-WFASDCNBSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000344690223 254295733 /nfs/dbraw/zinc/29/57/33/254295733.db2.gz WMGDYYLFPIPALC-WDEREUQCSA-N 2 2 317.296 3.391 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Br ZINC000344690223 254295735 /nfs/dbraw/zinc/29/57/35/254295735.db2.gz WMGDYYLFPIPALC-WDEREUQCSA-N 2 2 317.296 3.391 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000261447631 285191565 /nfs/dbraw/zinc/19/15/65/285191565.db2.gz HXAAUIQNGKLXGS-IBGZPJMESA-N 2 2 316.489 3.354 20 0 DGADLP CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000261447631 285191569 /nfs/dbraw/zinc/19/15/69/285191569.db2.gz HXAAUIQNGKLXGS-IBGZPJMESA-N 2 2 316.489 3.354 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000344690314 254296750 /nfs/dbraw/zinc/29/67/50/254296750.db2.gz XCYKIDZVWIFQOI-CZUORRHYSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000344690314 254296752 /nfs/dbraw/zinc/29/67/52/254296752.db2.gz XCYKIDZVWIFQOI-CZUORRHYSA-N 2 2 318.852 3.098 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345316436 254352505 /nfs/dbraw/zinc/35/25/05/254352505.db2.gz JXCOGLPMDALXGU-QGZVFWFLSA-N 2 2 310.869 3.349 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345316436 254352507 /nfs/dbraw/zinc/35/25/07/254352507.db2.gz JXCOGLPMDALXGU-QGZVFWFLSA-N 2 2 310.869 3.349 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344069 254355678 /nfs/dbraw/zinc/35/56/78/254355678.db2.gz AFTLNRUVPVYEHT-NJAFHUGGSA-N 2 2 310.445 3.001 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344069 254355680 /nfs/dbraw/zinc/35/56/80/254355680.db2.gz AFTLNRUVPVYEHT-NJAFHUGGSA-N 2 2 310.445 3.001 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000156226863 197096903 /nfs/dbraw/zinc/09/69/03/197096903.db2.gz ZVAGEBLVPKGXEL-LLVKDONJSA-N 2 2 315.314 3.467 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2sccc2Br)CC[N@@H+]1C ZINC000156157292 197090263 /nfs/dbraw/zinc/09/02/63/197090263.db2.gz FQWRADDSAQXHDW-UWVGGRQHSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2sccc2Br)CC[N@H+]1C ZINC000156157292 197090265 /nfs/dbraw/zinc/09/02/65/197090265.db2.gz FQWRADDSAQXHDW-UWVGGRQHSA-N 2 2 303.269 3.083 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400700 285232140 /nfs/dbraw/zinc/23/21/40/285232140.db2.gz QWSKFDGCEHKSRZ-DOTOQJQBSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400700 285232142 /nfs/dbraw/zinc/23/21/42/285232142.db2.gz QWSKFDGCEHKSRZ-DOTOQJQBSA-N 2 2 320.477 3.017 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000284012846 285233610 /nfs/dbraw/zinc/23/36/10/285233610.db2.gz HIJQQWNNXDOIDE-LJQANCHMSA-N 2 2 311.429 3.162 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000284012846 285233613 /nfs/dbraw/zinc/23/36/13/285233613.db2.gz HIJQQWNNXDOIDE-LJQANCHMSA-N 2 2 311.429 3.162 20 0 DGADLP COCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000294784969 224219895 /nfs/dbraw/zinc/21/98/95/224219895.db2.gz NZRLAACQQYWUJS-ACBHZAAOSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000294784969 224219896 /nfs/dbraw/zinc/21/98/96/224219896.db2.gz NZRLAACQQYWUJS-ACBHZAAOSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)(C)c1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000120835241 195246508 /nfs/dbraw/zinc/24/65/08/195246508.db2.gz FDVGFNCIRMGCQG-UHFFFAOYSA-N 2 2 304.463 3.474 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414754 285288149 /nfs/dbraw/zinc/28/81/49/285288149.db2.gz YTGZZUTUSSIONN-RDJZCZTQSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414754 285288150 /nfs/dbraw/zinc/28/81/50/285288150.db2.gz YTGZZUTUSSIONN-RDJZCZTQSA-N 2 2 320.477 3.017 20 0 DGADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000271602551 209050396 /nfs/dbraw/zinc/05/03/96/209050396.db2.gz ISOKNZJZARKVKH-UHFFFAOYSA-N 2 2 320.400 3.164 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](O)c2ccccc2)n1-c1ccccc1 ZINC000289508489 221028451 /nfs/dbraw/zinc/02/84/51/221028451.db2.gz UKOZACKQRLXJRU-HXUWFJFHSA-N 2 2 321.424 3.394 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289599642 221095507 /nfs/dbraw/zinc/09/55/07/221095507.db2.gz KSVTZKRZLJSONZ-JJTKIYQPSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289599642 221095510 /nfs/dbraw/zinc/09/55/10/221095510.db2.gz KSVTZKRZLJSONZ-JJTKIYQPSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289599642 221095514 /nfs/dbraw/zinc/09/55/14/221095514.db2.gz KSVTZKRZLJSONZ-JJTKIYQPSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289599642 221095516 /nfs/dbraw/zinc/09/55/16/221095516.db2.gz KSVTZKRZLJSONZ-JJTKIYQPSA-N 2 2 324.472 3.238 20 0 DGADLP CCn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289623661 221110289 /nfs/dbraw/zinc/11/02/89/221110289.db2.gz LQRRPDSWCPMRGA-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289623661 221110292 /nfs/dbraw/zinc/11/02/92/221110292.db2.gz LQRRPDSWCPMRGA-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289623661 221110293 /nfs/dbraw/zinc/11/02/93/221110293.db2.gz LQRRPDSWCPMRGA-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289623661 221110296 /nfs/dbraw/zinc/11/02/96/221110296.db2.gz LQRRPDSWCPMRGA-HXUWFJFHSA-N 2 2 324.472 3.001 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000294942328 224327093 /nfs/dbraw/zinc/32/70/93/224327093.db2.gz CUASOIJUNPVUNA-KBXCAEBGSA-N 2 2 319.518 3.380 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000289870532 221281177 /nfs/dbraw/zinc/28/11/77/221281177.db2.gz WFLJXLCPSVLSNH-UHFFFAOYSA-N 2 2 316.474 3.038 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1OC(F)F ZINC000349403058 285344094 /nfs/dbraw/zinc/34/40/94/285344094.db2.gz BLLMJLDBOANOJA-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1OC(F)F ZINC000349403058 285344095 /nfs/dbraw/zinc/34/40/95/285344095.db2.gz BLLMJLDBOANOJA-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000356581204 285395825 /nfs/dbraw/zinc/39/58/25/285395825.db2.gz RTUIOCLZNYOFPX-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000356581204 285395828 /nfs/dbraw/zinc/39/58/28/285395828.db2.gz RTUIOCLZNYOFPX-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000356581204 285395831 /nfs/dbraw/zinc/39/58/31/285395831.db2.gz RTUIOCLZNYOFPX-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000356581204 285395834 /nfs/dbraw/zinc/39/58/34/285395834.db2.gz RTUIOCLZNYOFPX-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(CO)c1 ZINC000305666057 533455669 /nfs/dbraw/zinc/45/56/69/533455669.db2.gz ULANFHHOVMIJQF-MRXNPFEDSA-N 2 2 321.424 3.275 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000430092749 533657487 /nfs/dbraw/zinc/65/74/87/533657487.db2.gz BBVHYQWHRNGMNE-KBAYOESNSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092749 533657501 /nfs/dbraw/zinc/65/75/01/533657501.db2.gz BBVHYQWHRNGMNE-KBAYOESNSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000356866057 285528629 /nfs/dbraw/zinc/52/86/29/285528629.db2.gz LNYVEVAPTHBNJR-WBVHZDCISA-N 2 2 320.452 3.195 20 0 DGADLP C[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCS1 ZINC000356890591 285543954 /nfs/dbraw/zinc/54/39/54/285543954.db2.gz GLYXHWXGMVCIHG-ZDUSSCGKSA-N 2 2 310.429 3.279 20 0 DGADLP CO[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(C)C ZINC000417328527 285607591 /nfs/dbraw/zinc/60/75/91/285607591.db2.gz CGQYZMMILCAMOD-CQSZACIVSA-N 2 2 310.404 3.054 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056404 400092721 /nfs/dbraw/zinc/09/27/21/400092721.db2.gz HAOCIFWAHWXRCB-DLBZAZTESA-N 2 2 318.461 3.387 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056404 400092724 /nfs/dbraw/zinc/09/27/24/400092724.db2.gz HAOCIFWAHWXRCB-DLBZAZTESA-N 2 2 318.461 3.387 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3c(n2)CCC3)c[nH+]1 ZINC000584765842 400100223 /nfs/dbraw/zinc/10/02/23/400100223.db2.gz ZHDLYEGUCRBHPR-UHFFFAOYSA-N 2 2 318.424 3.105 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C(C)C)cc1 ZINC000091375346 400114937 /nfs/dbraw/zinc/11/49/37/400114937.db2.gz XHBFVACLGIVEDW-QFBILLFUSA-N 2 2 320.477 3.093 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000090847068 400079273 /nfs/dbraw/zinc/07/92/73/400079273.db2.gz JYYCSUWKZXSIIF-CQSZACIVSA-N 2 2 301.409 3.488 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000090846773 400079339 /nfs/dbraw/zinc/07/93/39/400079339.db2.gz PTNLNIZPHNFGNN-HNNXBMFYSA-N 2 2 312.413 3.445 20 0 DGADLP CN(C)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000090852182 400080210 /nfs/dbraw/zinc/08/02/10/400080210.db2.gz FXLDCBLQYWUCPE-UHFFFAOYSA-N 2 2 316.493 3.034 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000609635754 400184128 /nfs/dbraw/zinc/18/41/28/400184128.db2.gz LXONDMKERYGGNA-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000609635754 400184131 /nfs/dbraw/zinc/18/41/31/400184131.db2.gz LXONDMKERYGGNA-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000609635754 400184134 /nfs/dbraw/zinc/18/41/34/400184134.db2.gz LXONDMKERYGGNA-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000609635754 400184136 /nfs/dbraw/zinc/18/41/36/400184136.db2.gz LXONDMKERYGGNA-KZNAEPCWSA-N 2 2 324.509 3.305 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1cccs1 ZINC000091892465 400141461 /nfs/dbraw/zinc/14/14/61/400141461.db2.gz JOTMAKOXOACEON-CABCVRRESA-N 2 2 316.474 3.197 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1cccs1 ZINC000091892465 400141465 /nfs/dbraw/zinc/14/14/65/400141465.db2.gz JOTMAKOXOACEON-CABCVRRESA-N 2 2 316.474 3.197 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1cccs1 ZINC000091892465 400141469 /nfs/dbraw/zinc/14/14/69/400141469.db2.gz JOTMAKOXOACEON-CABCVRRESA-N 2 2 316.474 3.197 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1cccs1 ZINC000091892465 400141472 /nfs/dbraw/zinc/14/14/72/400141472.db2.gz JOTMAKOXOACEON-CABCVRRESA-N 2 2 316.474 3.197 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316374022 400150233 /nfs/dbraw/zinc/15/02/33/400150233.db2.gz IEKFTGCDWUMIFD-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316374022 400150235 /nfs/dbraw/zinc/15/02/35/400150235.db2.gz IEKFTGCDWUMIFD-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071558 400152089 /nfs/dbraw/zinc/15/20/89/400152089.db2.gz PBKNNIOIVMQWMM-LLVKDONJSA-N 2 2 310.323 3.203 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071558 400152092 /nfs/dbraw/zinc/15/20/92/400152092.db2.gz PBKNNIOIVMQWMM-LLVKDONJSA-N 2 2 310.323 3.203 20 0 DGADLP CCC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)C1CC[NH2+]CC1 ZINC000319621758 400160878 /nfs/dbraw/zinc/16/08/78/400160878.db2.gz AOPJYUCFPYIECP-UHFFFAOYSA-N 2 2 314.433 3.009 20 0 DGADLP CCC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)C1CC[NH2+]CC1 ZINC000319621758 400160881 /nfs/dbraw/zinc/16/08/81/400160881.db2.gz AOPJYUCFPYIECP-UHFFFAOYSA-N 2 2 314.433 3.009 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)cc1 ZINC000320159516 400163794 /nfs/dbraw/zinc/16/37/94/400163794.db2.gz QFBYJWFFSRJORZ-ZFWWWQNUSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)cc1 ZINC000320159516 400163796 /nfs/dbraw/zinc/16/37/96/400163796.db2.gz QFBYJWFFSRJORZ-ZFWWWQNUSA-N 2 2 317.820 3.179 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000390945306 400274491 /nfs/dbraw/zinc/27/44/91/400274491.db2.gz MJGIXZCLTWKLMM-SJORKVTESA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000390945306 400274495 /nfs/dbraw/zinc/27/44/95/400274495.db2.gz MJGIXZCLTWKLMM-SJORKVTESA-N 2 2 318.461 3.119 20 0 DGADLP c1ccc([C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000589634216 400311971 /nfs/dbraw/zinc/31/19/71/400311971.db2.gz RRVNLHVFIWGTKT-HXUWFJFHSA-N 2 2 320.440 3.490 20 0 DGADLP Cn1nc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000589644228 400317095 /nfs/dbraw/zinc/31/70/95/400317095.db2.gz IAGBNUSMPUPYOQ-UHFFFAOYSA-N 2 2 317.396 3.049 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866143 400259572 /nfs/dbraw/zinc/25/95/72/400259572.db2.gz NQASLXYOTYQMCN-CQSZACIVSA-N 2 2 317.458 3.489 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866143 400259577 /nfs/dbraw/zinc/25/95/77/400259577.db2.gz NQASLXYOTYQMCN-CQSZACIVSA-N 2 2 317.458 3.489 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000030655446 400331493 /nfs/dbraw/zinc/33/14/93/400331493.db2.gz YGKNENLJWMNAOI-CJNGLKHVSA-N 2 2 308.385 3.274 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000069783535 400344290 /nfs/dbraw/zinc/34/42/90/400344290.db2.gz QSNXVQNQYCKBBR-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(=O)OC)cc1 ZINC000590239847 400371464 /nfs/dbraw/zinc/37/14/64/400371464.db2.gz OSTDMUKRJQFLKA-KRWDZBQOSA-N 2 2 315.417 3.191 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000590302498 400376011 /nfs/dbraw/zinc/37/60/11/400376011.db2.gz JLVWJTZOSDEJMN-UHFFFAOYSA-N 2 2 302.466 3.175 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000039175683 400397311 /nfs/dbraw/zinc/39/73/11/400397311.db2.gz NYBODIXASROHMM-IBGZPJMESA-N 2 2 310.441 3.216 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000039175683 400397313 /nfs/dbraw/zinc/39/73/13/400397313.db2.gz NYBODIXASROHMM-IBGZPJMESA-N 2 2 310.441 3.216 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CCO)c1ccccc1 ZINC000072772539 400403440 /nfs/dbraw/zinc/40/34/40/400403440.db2.gz ILANJKFCWJFCIH-HXUWFJFHSA-N 2 2 321.424 3.428 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CCO)c1ccccc1 ZINC000072772539 400403441 /nfs/dbraw/zinc/40/34/41/400403441.db2.gz ILANJKFCWJFCIH-HXUWFJFHSA-N 2 2 321.424 3.428 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000597188048 400581468 /nfs/dbraw/zinc/58/14/68/400581468.db2.gz JWLVNEGFHAYJGV-HZPDHXFCSA-N 2 2 324.509 3.066 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129109247 400522437 /nfs/dbraw/zinc/52/24/37/400522437.db2.gz ZAENXOZTHASBRG-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129109247 400522445 /nfs/dbraw/zinc/52/24/45/400522445.db2.gz ZAENXOZTHASBRG-SMDDNHRTSA-N 2 2 305.809 3.307 20 0 DGADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129114578 400522913 /nfs/dbraw/zinc/52/29/13/400522913.db2.gz BQTPGOZOPSEZCB-SFHVURJKSA-N 2 2 316.489 3.138 20 0 DGADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129114578 400522916 /nfs/dbraw/zinc/52/29/16/400522916.db2.gz BQTPGOZOPSEZCB-SFHVURJKSA-N 2 2 316.489 3.138 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129109696 400523079 /nfs/dbraw/zinc/52/30/79/400523079.db2.gz ZAENXOZTHASBRG-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000129109696 400523082 /nfs/dbraw/zinc/52/30/82/400523082.db2.gz ZAENXOZTHASBRG-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708508 400551386 /nfs/dbraw/zinc/55/13/86/400551386.db2.gz BLFPNWOAIBDWBB-WBVHZDCISA-N 2 2 320.440 3.488 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591708508 400551391 /nfs/dbraw/zinc/55/13/91/400551391.db2.gz BLFPNWOAIBDWBB-WBVHZDCISA-N 2 2 320.440 3.488 20 0 DGADLP CCCCOCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108742 400634989 /nfs/dbraw/zinc/63/49/89/400634989.db2.gz UNSCABCGDVPKHM-UHFFFAOYSA-N 2 2 319.493 3.437 20 0 DGADLP CCCCOCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108742 400634996 /nfs/dbraw/zinc/63/49/96/400634996.db2.gz UNSCABCGDVPKHM-UHFFFAOYSA-N 2 2 319.493 3.437 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840887 400667610 /nfs/dbraw/zinc/66/76/10/400667610.db2.gz HSGLLKYURBQRLD-OAHLLOKOSA-N 2 2 308.853 3.137 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840887 400667614 /nfs/dbraw/zinc/66/76/14/400667614.db2.gz HSGLLKYURBQRLD-OAHLLOKOSA-N 2 2 308.853 3.137 20 0 DGADLP CC1(C)Cc2cccc(C[NH2+]CCc3cn4ccccc4[nH+]3)c2O1 ZINC000161605842 400741000 /nfs/dbraw/zinc/74/10/00/400741000.db2.gz FLDXIQXBNLIATC-UHFFFAOYSA-N 2 2 321.424 3.380 20 0 DGADLP Fc1ccccc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002778 400713625 /nfs/dbraw/zinc/71/36/25/400713625.db2.gz USQABKPFHYVBMN-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065860 400946370 /nfs/dbraw/zinc/94/63/70/400946370.db2.gz SEKOSOROPWMOGE-GOEBONIOSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599065860 400946375 /nfs/dbraw/zinc/94/63/75/400946375.db2.gz SEKOSOROPWMOGE-GOEBONIOSA-N 2 2 310.482 3.103 20 0 DGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959468 401007497 /nfs/dbraw/zinc/00/74/97/401007497.db2.gz UEBUEHONASQIIE-MRXNPFEDSA-N 2 2 320.481 3.018 20 0 DGADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959468 401007500 /nfs/dbraw/zinc/00/75/00/401007500.db2.gz UEBUEHONASQIIE-MRXNPFEDSA-N 2 2 320.481 3.018 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccsc2Cl)CC[C@H]1C(F)(F)F ZINC000629566127 400979749 /nfs/dbraw/zinc/97/97/49/400979749.db2.gz YMBAJSXLNCYJFZ-NXEZZACHSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@H]1C(F)(F)F ZINC000629566127 400979753 /nfs/dbraw/zinc/97/97/53/400979753.db2.gz YMBAJSXLNCYJFZ-NXEZZACHSA-N 2 2 312.788 3.361 20 0 DGADLP Cc1nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000080686030 400979984 /nfs/dbraw/zinc/97/99/84/400979984.db2.gz YPLMKIANSMAOTH-HXUWFJFHSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000080686030 400979990 /nfs/dbraw/zinc/97/99/90/400979990.db2.gz YPLMKIANSMAOTH-HXUWFJFHSA-N 2 2 322.456 3.278 20 0 DGADLP CC[NH+](CC)CCCNCc1c[nH+]c(C)n1-c1ccccc1 ZINC000081292954 401050548 /nfs/dbraw/zinc/05/05/48/401050548.db2.gz IWMSLWDLPHOVFC-UHFFFAOYSA-N 2 2 300.450 3.002 20 0 DGADLP c1cc([C@@H]2COCC[NH2+]2)ccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000629710335 401053185 /nfs/dbraw/zinc/05/31/85/401053185.db2.gz QOUAIRTZNFXIKW-SFHVURJKSA-N 2 2 309.413 3.010 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212483 401060856 /nfs/dbraw/zinc/06/08/56/401060856.db2.gz QFPLACLFQRZYNS-CQSZACIVSA-N 2 2 308.853 3.209 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212483 401060859 /nfs/dbraw/zinc/06/08/59/401060859.db2.gz QFPLACLFQRZYNS-CQSZACIVSA-N 2 2 308.853 3.209 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000625267425 401079060 /nfs/dbraw/zinc/07/90/60/401079060.db2.gz XULQEVPXBJDLEI-BLLLJJGKSA-N 2 2 305.809 3.325 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000625267425 401079067 /nfs/dbraw/zinc/07/90/67/401079067.db2.gz XULQEVPXBJDLEI-BLLLJJGKSA-N 2 2 305.809 3.325 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084024525 401126143 /nfs/dbraw/zinc/12/61/43/401126143.db2.gz LWCCOONBESKGSH-KSSFIOAISA-N 2 2 301.434 3.067 20 0 DGADLP Clc1oc2ccccc2c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000621287169 401154307 /nfs/dbraw/zinc/15/43/07/401154307.db2.gz DNCNTDXAARMDDN-UHFFFAOYSA-N 2 2 316.792 3.132 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000358305532 286026594 /nfs/dbraw/zinc/02/65/94/286026594.db2.gz VFNSTRNJUJHIJD-LZQZEXGQSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000358305532 286026595 /nfs/dbraw/zinc/02/65/95/286026595.db2.gz VFNSTRNJUJHIJD-LZQZEXGQSA-N 2 2 324.472 3.430 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000621340833 401173966 /nfs/dbraw/zinc/17/39/66/401173966.db2.gz SKKNJORNYSVSOP-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000621340833 401173969 /nfs/dbraw/zinc/17/39/69/401173969.db2.gz SKKNJORNYSVSOP-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP Fc1ccc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1F ZINC000625656859 401177242 /nfs/dbraw/zinc/17/72/42/401177242.db2.gz QGFHZZJSWHIQKK-OAHLLOKOSA-N 2 2 305.372 3.431 20 0 DGADLP Fc1ccc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1F ZINC000625656859 401177245 /nfs/dbraw/zinc/17/72/45/401177245.db2.gz QGFHZZJSWHIQKK-OAHLLOKOSA-N 2 2 305.372 3.431 20 0 DGADLP Cc1cccn2c(C[NH2+]C3(c4ccccc4)CCOCC3)c[nH+]c12 ZINC000608059659 401177529 /nfs/dbraw/zinc/17/75/29/401177529.db2.gz JLFPSXQJCLUFMC-UHFFFAOYSA-N 2 2 321.424 3.438 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000088693860 401205232 /nfs/dbraw/zinc/20/52/32/401205232.db2.gz LDXRKXWBFFYSQV-LPHOPBHVSA-N 2 2 310.441 3.360 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000088693860 401205239 /nfs/dbraw/zinc/20/52/39/401205239.db2.gz LDXRKXWBFFYSQV-LPHOPBHVSA-N 2 2 310.441 3.360 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177435 401263308 /nfs/dbraw/zinc/26/33/08/401263308.db2.gz LEWRBCPKXNBZGV-JTNHKYCSSA-N 2 2 316.367 3.245 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177435 401263312 /nfs/dbraw/zinc/26/33/12/401263312.db2.gz LEWRBCPKXNBZGV-JTNHKYCSSA-N 2 2 316.367 3.245 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC000090409238 401263980 /nfs/dbraw/zinc/26/39/80/401263980.db2.gz HXQXXOVFIMZYKS-UYAOXDASSA-N 2 2 315.505 3.023 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000090409238 401263984 /nfs/dbraw/zinc/26/39/84/401263984.db2.gz HXQXXOVFIMZYKS-UYAOXDASSA-N 2 2 315.505 3.023 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000090667186 401271066 /nfs/dbraw/zinc/27/10/66/401271066.db2.gz XFKVWGAJCYOWMX-HZPDHXFCSA-N 2 2 317.477 3.012 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090772320 401272835 /nfs/dbraw/zinc/27/28/35/401272835.db2.gz HXNHGAHWUYYAQT-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090772320 401272837 /nfs/dbraw/zinc/27/28/37/401272837.db2.gz HXNHGAHWUYYAQT-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP FCC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000626006406 401277901 /nfs/dbraw/zinc/27/79/01/401277901.db2.gz XVYNSGBYYCNVCT-LJQANCHMSA-N 2 2 320.452 3.233 20 0 DGADLP FCC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000626006406 401277905 /nfs/dbraw/zinc/27/79/05/401277905.db2.gz XVYNSGBYYCNVCT-LJQANCHMSA-N 2 2 320.452 3.233 20 0 DGADLP [NH3+]C[C@@H]1CN(c2[nH+]ccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000630525072 401282533 /nfs/dbraw/zinc/28/25/33/401282533.db2.gz AODHLRSHXKDFOR-TZMCWYRMSA-N 2 2 309.335 3.198 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000090046887 401249532 /nfs/dbraw/zinc/24/95/32/401249532.db2.gz QUEPWNNQCBUHFY-DYVFJYSZSA-N 2 2 308.853 3.028 20 0 DGADLP O[C@]1(C[N@@H+]2CC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646687 401326539 /nfs/dbraw/zinc/32/65/39/401326539.db2.gz JCQVSKHBZUFHNL-NHCUHLMSSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@]1(C[N@H+]2CC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)C1 ZINC000634646687 401326542 /nfs/dbraw/zinc/32/65/42/401326542.db2.gz JCQVSKHBZUFHNL-NHCUHLMSSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@]1(C[NH+]2CC[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646687 401326546 /nfs/dbraw/zinc/32/65/46/401326546.db2.gz JCQVSKHBZUFHNL-NHCUHLMSSA-N 2 2 322.452 3.070 20 0 DGADLP O[C@]1(C[NH+]2CC[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646687 401326548 /nfs/dbraw/zinc/32/65/48/401326548.db2.gz JCQVSKHBZUFHNL-NHCUHLMSSA-N 2 2 322.452 3.070 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686550 401334986 /nfs/dbraw/zinc/33/49/86/401334986.db2.gz MSJHPTYWCNMOKS-ZWKOTPCHSA-N 2 2 302.462 3.117 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686550 401334991 /nfs/dbraw/zinc/33/49/91/401334991.db2.gz MSJHPTYWCNMOKS-ZWKOTPCHSA-N 2 2 302.462 3.117 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000634733696 401341408 /nfs/dbraw/zinc/34/14/08/401341408.db2.gz LJHIMZHXURBCLW-VIFPVBQESA-N 2 2 307.385 3.030 20 0 DGADLP CCc1noc([C@H](C)[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062489 401291281 /nfs/dbraw/zinc/29/12/81/401291281.db2.gz UIDHTDZQRIMUJU-AWEZNQCLSA-N 2 2 316.449 3.277 20 0 DGADLP CCc1noc([C@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062489 401291282 /nfs/dbraw/zinc/29/12/82/401291282.db2.gz UIDHTDZQRIMUJU-AWEZNQCLSA-N 2 2 316.449 3.277 20 0 DGADLP CC[N@H+](Cc1nnc(C(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062175 401291541 /nfs/dbraw/zinc/29/15/41/401291541.db2.gz KEEQHWJOAJVRKD-UHFFFAOYSA-N 2 2 316.449 3.277 20 0 DGADLP CC[N@@H+](Cc1nnc(C(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062175 401291545 /nfs/dbraw/zinc/29/15/45/401291545.db2.gz KEEQHWJOAJVRKD-UHFFFAOYSA-N 2 2 316.449 3.277 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781938 401299322 /nfs/dbraw/zinc/29/93/22/401299322.db2.gz KHISMXNMKHFIHS-CXAGYDPISA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781938 401299327 /nfs/dbraw/zinc/29/93/27/401299327.db2.gz KHISMXNMKHFIHS-CXAGYDPISA-N 2 2 301.821 3.201 20 0 DGADLP Cc1cn(CC(=O)c2ccc(Cn3cc(C)[nH+]c3C)cc2)c(C)[nH+]1 ZINC000631015047 401370259 /nfs/dbraw/zinc/37/02/59/401370259.db2.gz ZZDVAVREAKFFTG-UHFFFAOYSA-N 2 2 322.412 3.244 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634952681 401387861 /nfs/dbraw/zinc/38/78/61/401387861.db2.gz GFUJLUUAXDTVRF-HOTGVXAUSA-N 2 2 313.445 3.442 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000634811664 401351385 /nfs/dbraw/zinc/35/13/85/401351385.db2.gz MRQVCBBCIKDKKW-IUODEOHRSA-N 2 2 318.465 3.015 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccs1 ZINC000631195987 401423968 /nfs/dbraw/zinc/42/39/68/401423968.db2.gz MBBJOOMEFACHQY-GOEBONIOSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccs1 ZINC000631195987 401423970 /nfs/dbraw/zinc/42/39/70/401423970.db2.gz MBBJOOMEFACHQY-GOEBONIOSA-N 2 2 301.459 3.001 20 0 DGADLP CCC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000631197930 401424690 /nfs/dbraw/zinc/42/46/90/401424690.db2.gz GCHFSXTZZPQRBI-QGZVFWFLSA-N 2 2 324.896 3.445 20 0 DGADLP CC(C)C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)n1cc[nH+]c1 ZINC000635263757 401427367 /nfs/dbraw/zinc/42/73/67/401427367.db2.gz AYGMGHGDJOKGJJ-KRWDZBQOSA-N 2 2 314.433 3.171 20 0 DGADLP C[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[NH+](C)C ZINC000635465453 401445688 /nfs/dbraw/zinc/44/56/88/401445688.db2.gz PSARQCYQIZGWMX-LLVKDONJSA-N 2 2 319.792 3.416 20 0 DGADLP CCOc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623088338 401463228 /nfs/dbraw/zinc/46/32/28/401463228.db2.gz HFDHAGCEHQOROC-UHFFFAOYSA-N 2 2 312.404 3.152 20 0 DGADLP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623089650 401463822 /nfs/dbraw/zinc/46/38/22/401463822.db2.gz QTPDHSSFXLHQKK-UPHRSURJSA-N 2 2 312.379 3.406 20 0 DGADLP Cc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1F ZINC000623089725 401464072 /nfs/dbraw/zinc/46/40/72/401464072.db2.gz VLCTZHGBCGINRX-UHFFFAOYSA-N 2 2 300.368 3.201 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000631449529 401472797 /nfs/dbraw/zinc/47/27/97/401472797.db2.gz WRXZHGUNWNVTFX-UHFFFAOYSA-N 2 2 302.466 3.247 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCCc4ncccc43)CC2)[nH+]c1 ZINC000631569137 401500402 /nfs/dbraw/zinc/50/04/02/401500402.db2.gz JERSARUDMQITAQ-SFHVURJKSA-N 2 2 308.429 3.113 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000623360961 401500980 /nfs/dbraw/zinc/50/09/80/401500980.db2.gz HSIIYLDULWBNSX-QWRGUYRKSA-N 2 2 300.780 3.335 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000623360961 401500982 /nfs/dbraw/zinc/50/09/82/401500982.db2.gz HSIIYLDULWBNSX-QWRGUYRKSA-N 2 2 300.780 3.335 20 0 DGADLP COc1cccc2c1OCCC[C@@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000631600568 401510625 /nfs/dbraw/zinc/51/06/25/401510625.db2.gz AVMGVPOCTZPZIH-KRWDZBQOSA-N 2 2 312.413 3.445 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@@H+]1Cc1ccccc1 ZINC000623445824 401520616 /nfs/dbraw/zinc/52/06/16/401520616.db2.gz GPBIMOFFFZWXGQ-QAPCUYQASA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623445824 401520619 /nfs/dbraw/zinc/52/06/19/401520619.db2.gz GPBIMOFFFZWXGQ-QAPCUYQASA-N 2 2 320.440 3.316 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649425 401523876 /nfs/dbraw/zinc/52/38/76/401523876.db2.gz WRBRWFXKJUHXEE-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649425 401523878 /nfs/dbraw/zinc/52/38/78/401523878.db2.gz WRBRWFXKJUHXEE-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649426 401524167 /nfs/dbraw/zinc/52/41/67/401524167.db2.gz WRBRWFXKJUHXEE-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649426 401524170 /nfs/dbraw/zinc/52/41/70/401524170.db2.gz WRBRWFXKJUHXEE-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631663701 401528488 /nfs/dbraw/zinc/52/84/88/401528488.db2.gz KMFPOTCSLPVVTG-HHXXYDBFSA-N 2 2 324.472 3.204 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631663701 401528489 /nfs/dbraw/zinc/52/84/89/401528489.db2.gz KMFPOTCSLPVVTG-HHXXYDBFSA-N 2 2 324.472 3.204 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccccc3C)CC2)[nH+]c1C ZINC000628129990 401529048 /nfs/dbraw/zinc/52/90/48/401529048.db2.gz FCXSXENHPATNSJ-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccccc3C)CC2)[nH+]c1C ZINC000628129990 401529052 /nfs/dbraw/zinc/52/90/52/401529052.db2.gz FCXSXENHPATNSJ-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP Cn1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)nc2cc(Cl)ccc21 ZINC000623657296 401563242 /nfs/dbraw/zinc/56/32/42/401563242.db2.gz MYCSIBWOMISJMM-CYBMUJFWSA-N 2 2 320.868 3.048 20 0 DGADLP Cn1c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nc2cc(Cl)ccc21 ZINC000623657296 401563243 /nfs/dbraw/zinc/56/32/43/401563243.db2.gz MYCSIBWOMISJMM-CYBMUJFWSA-N 2 2 320.868 3.048 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000623657128 401563503 /nfs/dbraw/zinc/56/35/03/401563503.db2.gz KGFZVBBWNNSLCI-LBPRGKRZSA-N 2 2 307.438 3.257 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000623657128 401563507 /nfs/dbraw/zinc/56/35/07/401563507.db2.gz KGFZVBBWNNSLCI-LBPRGKRZSA-N 2 2 307.438 3.257 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cnc(C4CC4)o3)CC2)c[nH+]1 ZINC000628279568 401566654 /nfs/dbraw/zinc/56/66/54/401566654.db2.gz PHSVUTWPNSRTCD-UHFFFAOYSA-N 2 2 314.433 3.441 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623923094 401600127 /nfs/dbraw/zinc/60/01/27/401600127.db2.gz SMSCALPBQURGMA-CABCVRRESA-N 2 2 307.507 3.478 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623923094 401600129 /nfs/dbraw/zinc/60/01/29/401600129.db2.gz SMSCALPBQURGMA-CABCVRRESA-N 2 2 307.507 3.478 20 0 DGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cc(C)ccc1C ZINC000623903827 401597090 /nfs/dbraw/zinc/59/70/90/401597090.db2.gz PNQJTFBCQWHTTN-LJQANCHMSA-N 2 2 304.478 3.455 20 0 DGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cc(C)ccc1C ZINC000623903826 401597111 /nfs/dbraw/zinc/59/71/11/401597111.db2.gz PNQJTFBCQWHTTN-IBGZPJMESA-N 2 2 304.478 3.455 20 0 DGADLP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628186507 401544872 /nfs/dbraw/zinc/54/48/72/401544872.db2.gz MUZJDLPHEDCUEW-UHFFFAOYSA-N 2 2 320.403 3.123 20 0 DGADLP CC[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000628238993 401558283 /nfs/dbraw/zinc/55/82/83/401558283.db2.gz YHGUDZLLSFBZTE-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP CC[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000628238993 401558284 /nfs/dbraw/zinc/55/82/84/401558284.db2.gz YHGUDZLLSFBZTE-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839808 401560648 /nfs/dbraw/zinc/56/06/48/401560648.db2.gz LEHAAENEOLIKCZ-IJLUTSLNSA-N 2 2 308.376 3.019 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839808 401560650 /nfs/dbraw/zinc/56/06/50/401560650.db2.gz LEHAAENEOLIKCZ-IJLUTSLNSA-N 2 2 308.376 3.019 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859345 401561338 /nfs/dbraw/zinc/56/13/38/401561338.db2.gz MVCIIPMHNRNEGQ-APWZRJJASA-N 2 2 310.441 3.214 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859345 401561342 /nfs/dbraw/zinc/56/13/42/401561342.db2.gz MVCIIPMHNRNEGQ-APWZRJJASA-N 2 2 310.441 3.214 20 0 DGADLP C[NH+]1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288306 401646462 /nfs/dbraw/zinc/64/64/62/401646462.db2.gz GURLDHDKHMQAFT-OAHLLOKOSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991457 401609785 /nfs/dbraw/zinc/60/97/85/401609785.db2.gz HTQDSNPCJLPDOK-HKUYNNGSSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991457 401609788 /nfs/dbraw/zinc/60/97/88/401609788.db2.gz HTQDSNPCJLPDOK-HKUYNNGSSA-N 2 2 304.478 3.191 20 0 DGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000624017411 401613795 /nfs/dbraw/zinc/61/37/95/401613795.db2.gz ZSCNMVMSZALYSF-GJZGRUSLSA-N 2 2 305.491 3.232 20 0 DGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624017411 401613798 /nfs/dbraw/zinc/61/37/98/401613798.db2.gz ZSCNMVMSZALYSF-GJZGRUSLSA-N 2 2 305.491 3.232 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358485111 286074478 /nfs/dbraw/zinc/07/44/78/286074478.db2.gz SQSRSFBEHZOCDK-CABCVRRESA-N 2 2 312.461 3.306 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358485111 286074479 /nfs/dbraw/zinc/07/44/79/286074479.db2.gz SQSRSFBEHZOCDK-CABCVRRESA-N 2 2 312.461 3.306 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624333800 401652456 /nfs/dbraw/zinc/65/24/56/401652456.db2.gz XDLKBPQGSZUAHF-PBHICJAKSA-N 2 2 316.470 3.132 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(-c2cccs2)cc1 ZINC000624333800 401652458 /nfs/dbraw/zinc/65/24/58/401652458.db2.gz XDLKBPQGSZUAHF-PBHICJAKSA-N 2 2 316.470 3.132 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339075 401653161 /nfs/dbraw/zinc/65/31/61/401653161.db2.gz LHWMNKUTUGXFQI-NXHRZFHOSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339075 401653162 /nfs/dbraw/zinc/65/31/62/401653162.db2.gz LHWMNKUTUGXFQI-NXHRZFHOSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000358660482 286118020 /nfs/dbraw/zinc/11/80/20/286118020.db2.gz GLGGFZPCRCTWPB-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000358660482 286118024 /nfs/dbraw/zinc/11/80/24/286118024.db2.gz GLGGFZPCRCTWPB-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP CCc1nc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)no1 ZINC000358743495 286139313 /nfs/dbraw/zinc/13/93/13/286139313.db2.gz HTOOAGZJBRLNIS-UHFFFAOYSA-N 2 2 322.497 3.212 20 0 DGADLP CCc1nc(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)no1 ZINC000358743495 286139315 /nfs/dbraw/zinc/13/93/15/286139315.db2.gz HTOOAGZJBRLNIS-UHFFFAOYSA-N 2 2 322.497 3.212 20 0 DGADLP CC[N@H+](CCC1CC[NH+](CCn2cc[nH+]c2C)CC1)CC(C)C ZINC000358751143 286141705 /nfs/dbraw/zinc/14/17/05/286141705.db2.gz MVLWAYKZQTVPFW-UHFFFAOYSA-N 3 2 320.525 3.272 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](CCn2cc[nH+]c2C)CC1)CC(C)C ZINC000358751143 286141706 /nfs/dbraw/zinc/14/17/06/286141706.db2.gz MVLWAYKZQTVPFW-UHFFFAOYSA-N 3 2 320.525 3.272 20 0 DGADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000358994046 286209012 /nfs/dbraw/zinc/20/90/12/286209012.db2.gz BGIHXAUYHATINY-CXAGYDPISA-N 2 2 305.372 3.463 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523151 286326105 /nfs/dbraw/zinc/32/61/05/286326105.db2.gz GQESERVBGQOFDT-HOCLYGCPSA-N 2 2 310.507 3.372 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523151 286326106 /nfs/dbraw/zinc/32/61/06/286326106.db2.gz GQESERVBGQOFDT-HOCLYGCPSA-N 2 2 310.507 3.372 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1 ZINC000359527684 286327242 /nfs/dbraw/zinc/32/72/42/286327242.db2.gz UDWHIZAVNZQOPY-QZTJIDSGSA-N 2 2 308.441 3.223 20 0 DGADLP CC(C)(C)n1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)nn1 ZINC000359689227 286361321 /nfs/dbraw/zinc/36/13/21/286361321.db2.gz TYRSVGUVTYJCNS-UHFFFAOYSA-N 2 2 321.513 3.167 20 0 DGADLP C[C@H](CCCC(F)(F)F)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359717193 286367042 /nfs/dbraw/zinc/36/70/42/286367042.db2.gz OBDKZMUIEJYGSK-MGPQQGTHSA-N 2 2 310.404 3.196 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H](C)OC)c1cccc(OC)c1 ZINC000359762668 286376904 /nfs/dbraw/zinc/37/69/04/286376904.db2.gz FCIPHKNEEPBRNH-RVKKMQEKSA-N 2 2 308.466 3.091 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000359960549 286397398 /nfs/dbraw/zinc/39/73/98/286397398.db2.gz YMTNEWMJKKRTGB-UHFFFAOYSA-N 2 2 306.356 3.409 20 0 DGADLP COc1ccc(F)cc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000360966217 286564498 /nfs/dbraw/zinc/56/44/98/286564498.db2.gz MFPAAKDOLAHJCJ-UHFFFAOYSA-N 2 2 320.383 3.325 20 0 DGADLP CCO[C@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000361364851 286661772 /nfs/dbraw/zinc/66/17/72/286661772.db2.gz FYVZZWHSYPXOIB-OAHLLOKOSA-N 2 2 324.431 3.444 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc3c(c1)COC3)CCC2 ZINC000361664335 286710797 /nfs/dbraw/zinc/71/07/97/286710797.db2.gz KYXAIZRDPJVKSS-ZBFHGGJFSA-N 2 2 311.429 3.450 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[NH2+]Cc4c(C)cccc43)n2c1 ZINC000415108547 292397898 /nfs/dbraw/zinc/39/78/98/292397898.db2.gz XACBYPRTBYERAC-UHFFFAOYSA-N 2 2 306.413 3.061 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000118953572 286912161 /nfs/dbraw/zinc/91/21/61/286912161.db2.gz ZQUHRBLWQHOFDP-QZTJIDSGSA-N 2 2 300.450 3.072 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000363758583 286954609 /nfs/dbraw/zinc/95/46/09/286954609.db2.gz RTHLLOIWVRERLL-RHSMWYFYSA-N 2 2 313.445 3.298 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccn(-c3ccccc3)n1)CCC2 ZINC000364145233 286993199 /nfs/dbraw/zinc/99/31/99/286993199.db2.gz XIXOZCSFTHNWAV-MRXNPFEDSA-N 2 2 321.428 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc2c(s1)CCCC2 ZINC000484163837 287035471 /nfs/dbraw/zinc/03/54/71/287035471.db2.gz BSTQJVMAZHAXJC-LSDHHAIUSA-N 2 2 322.518 3.246 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000364912226 287074698 /nfs/dbraw/zinc/07/46/98/287074698.db2.gz JNPYBJFDAROHJZ-IIMJZQEZSA-N 2 2 324.472 3.265 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000364912226 287074699 /nfs/dbraw/zinc/07/46/99/287074699.db2.gz JNPYBJFDAROHJZ-IIMJZQEZSA-N 2 2 324.472 3.265 20 0 DGADLP c1cn2c(cccc2C[NH2+]C2CC(OCc3ccccc3)C2)[nH+]1 ZINC000364913874 287075004 /nfs/dbraw/zinc/07/50/04/287075004.db2.gz MPSLCWVQIKESKL-UHFFFAOYSA-N 2 2 307.397 3.172 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000185295720 164998460 /nfs/dbraw/zinc/99/84/60/164998460.db2.gz QYIIHURDPJQCLR-HOTGVXAUSA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000185295720 164998461 /nfs/dbraw/zinc/99/84/61/164998461.db2.gz QYIIHURDPJQCLR-HOTGVXAUSA-N 2 2 314.473 3.332 20 0 DGADLP CSCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000186776964 165059975 /nfs/dbraw/zinc/05/99/75/165059975.db2.gz CZNDBHWTMNLHQT-WMZOPIPTSA-N 2 2 321.534 3.415 20 0 DGADLP CSCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000186776964 165059977 /nfs/dbraw/zinc/05/99/77/165059977.db2.gz CZNDBHWTMNLHQT-WMZOPIPTSA-N 2 2 321.534 3.415 20 0 DGADLP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000188813792 165138241 /nfs/dbraw/zinc/13/82/41/165138241.db2.gz CJQFMOONKUZURG-MSOLQXFVSA-N 2 2 322.880 3.462 20 0 DGADLP CCN(C)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000190862491 165218714 /nfs/dbraw/zinc/21/87/14/165218714.db2.gz HNMAYEBZZFXZHK-UHFFFAOYSA-N 2 2 321.428 3.013 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000192166677 165284910 /nfs/dbraw/zinc/28/49/10/165284910.db2.gz JNZOHBRPBUEAET-OAHLLOKOSA-N 2 2 309.417 3.107 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193148281 165318836 /nfs/dbraw/zinc/31/88/36/165318836.db2.gz OPLBIEWWUVYZJU-UHFFFAOYSA-N 2 2 324.896 3.355 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365272237 287116623 /nfs/dbraw/zinc/11/66/23/287116623.db2.gz IIHMDKABZBATSC-ZWKOTPCHSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365272237 287116624 /nfs/dbraw/zinc/11/66/24/287116624.db2.gz IIHMDKABZBATSC-ZWKOTPCHSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000365439804 287132278 /nfs/dbraw/zinc/13/22/78/287132278.db2.gz RZJLEZUKDYFAGH-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000365439804 287132280 /nfs/dbraw/zinc/13/22/80/287132280.db2.gz RZJLEZUKDYFAGH-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365400750 287128174 /nfs/dbraw/zinc/12/81/74/287128174.db2.gz AQSAZQBHWQUNRI-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365400750 287128177 /nfs/dbraw/zinc/12/81/77/287128177.db2.gz AQSAZQBHWQUNRI-WMZOPIPTSA-N 2 2 317.477 3.047 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000262513184 165806318 /nfs/dbraw/zinc/80/63/18/165806318.db2.gz NBVGCEFLWWLJDI-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000262513184 165806321 /nfs/dbraw/zinc/80/63/21/165806321.db2.gz NBVGCEFLWWLJDI-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000365634186 287156630 /nfs/dbraw/zinc/15/66/30/287156630.db2.gz XMQUUMCCEKFWJI-OAHLLOKOSA-N 2 2 324.403 3.487 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000365634186 287156632 /nfs/dbraw/zinc/15/66/32/287156632.db2.gz XMQUUMCCEKFWJI-OAHLLOKOSA-N 2 2 324.403 3.487 20 0 DGADLP CCCCOc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000129230335 196031170 /nfs/dbraw/zinc/03/11/70/196031170.db2.gz HYQKPWDGLLEKHU-MRXNPFEDSA-N 2 2 301.434 3.488 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269049815 432150962 /nfs/dbraw/zinc/15/09/62/432150962.db2.gz ZHCXJHGHBSFRJF-UIFIKXQLSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269049815 432150965 /nfs/dbraw/zinc/15/09/65/432150965.db2.gz ZHCXJHGHBSFRJF-UIFIKXQLSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246660612 432151435 /nfs/dbraw/zinc/15/14/35/432151435.db2.gz JAKASRRCMWZENP-GJZGRUSLSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246660612 432151439 /nfs/dbraw/zinc/15/14/39/432151439.db2.gz JAKASRRCMWZENP-GJZGRUSLSA-N 2 2 308.853 3.055 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000136310112 432153189 /nfs/dbraw/zinc/15/31/89/432153189.db2.gz VWSCYBDYYPREAH-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP CC1(C)Cc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2O1 ZINC000136366308 432155040 /nfs/dbraw/zinc/15/50/40/432155040.db2.gz BEMRYJUNILHKFD-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000136501137 432156937 /nfs/dbraw/zinc/15/69/37/432156937.db2.gz LMXJOWCOFLUSDN-WFASDCNBSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000136501137 432156941 /nfs/dbraw/zinc/15/69/41/432156941.db2.gz LMXJOWCOFLUSDN-WFASDCNBSA-N 2 2 323.278 3.206 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)[C@@H](C)C1 ZINC000246910928 432179525 /nfs/dbraw/zinc/17/95/25/432179525.db2.gz FWWNZFSGDPZALI-SZMVWBNQSA-N 2 2 319.493 3.045 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)[C@@H](C)C1 ZINC000246910928 432179526 /nfs/dbraw/zinc/17/95/26/432179526.db2.gz FWWNZFSGDPZALI-SZMVWBNQSA-N 2 2 319.493 3.045 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2cn1 ZINC000269431497 432173398 /nfs/dbraw/zinc/17/33/98/432173398.db2.gz PREZZIUXYROGRN-KDOFPFPSSA-N 2 2 308.429 3.083 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2cn1 ZINC000269431497 432173400 /nfs/dbraw/zinc/17/34/00/432173400.db2.gz PREZZIUXYROGRN-KDOFPFPSSA-N 2 2 308.429 3.083 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000137249936 432173609 /nfs/dbraw/zinc/17/36/09/432173609.db2.gz HBVCZKQDVZYLMG-QGZVFWFLSA-N 2 2 323.396 3.202 20 0 DGADLP c1ccc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000171962279 432185085 /nfs/dbraw/zinc/18/50/85/432185085.db2.gz WJKHSAYRJRIYRA-LJQANCHMSA-N 2 2 324.468 3.384 20 0 DGADLP c1ccc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000171962279 432185091 /nfs/dbraw/zinc/18/50/91/432185091.db2.gz WJKHSAYRJRIYRA-LJQANCHMSA-N 2 2 324.468 3.384 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000172013370 432190298 /nfs/dbraw/zinc/19/02/98/432190298.db2.gz DCNJRAIOYVPNSA-RDJZCZTQSA-N 2 2 300.450 3.154 20 0 DGADLP C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247021464 432191820 /nfs/dbraw/zinc/19/18/20/432191820.db2.gz DIIFSDXKADHBON-WMLDXEAASA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247021464 432191823 /nfs/dbraw/zinc/19/18/23/432191823.db2.gz DIIFSDXKADHBON-WMLDXEAASA-N 2 2 319.836 3.498 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000182492144 432195748 /nfs/dbraw/zinc/19/57/48/432195748.db2.gz VHSZFNQLRNWSGX-UZLBHIALSA-N 2 2 324.472 3.470 20 0 DGADLP FC(F)Oc1ccccc1CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000190884870 432196658 /nfs/dbraw/zinc/19/66/58/432196658.db2.gz QRBKHKWZDJIMCJ-UHFFFAOYSA-N 2 2 317.339 3.268 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000247094566 432201996 /nfs/dbraw/zinc/20/19/96/432201996.db2.gz PPOXCVBSUWFWKV-YJBOKZPZSA-N 2 2 317.477 3.223 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC2CCCC2)[C@@H](C)C1 ZINC000247094566 432202000 /nfs/dbraw/zinc/20/20/00/432202000.db2.gz PPOXCVBSUWFWKV-YJBOKZPZSA-N 2 2 317.477 3.223 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000130561185 196091632 /nfs/dbraw/zinc/09/16/32/196091632.db2.gz PQBQTPCZYQZWMH-AWEZNQCLSA-N 2 2 322.412 3.186 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000130587244 196093652 /nfs/dbraw/zinc/09/36/52/196093652.db2.gz MBEPJSRPHFRQPY-SFHVURJKSA-N 2 2 307.397 3.163 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000130909066 196121539 /nfs/dbraw/zinc/12/15/39/196121539.db2.gz PTFJTVLOTUXUIR-UHFFFAOYSA-N 2 2 317.437 3.144 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000130909066 196121541 /nfs/dbraw/zinc/12/15/41/196121541.db2.gz PTFJTVLOTUXUIR-UHFFFAOYSA-N 2 2 317.437 3.144 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000247224548 432212558 /nfs/dbraw/zinc/21/25/58/432212558.db2.gz XWEWNSPZZRZPSM-QRQLOZEOSA-N 3 2 309.542 3.207 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000247224548 432212564 /nfs/dbraw/zinc/21/25/64/432212564.db2.gz XWEWNSPZZRZPSM-QRQLOZEOSA-N 3 2 309.542 3.207 20 0 DGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccnc3)CC2)cc1 ZINC000151086876 432218391 /nfs/dbraw/zinc/21/83/91/432218391.db2.gz IDRGMIVQOGBIEK-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@@H+]1C1CC1 ZINC000151119971 432222459 /nfs/dbraw/zinc/22/24/59/432222459.db2.gz DKWNAAQZLSNMCC-CJNGLKHVSA-N 2 2 300.446 3.115 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@H+]1C1CC1 ZINC000151119971 432222462 /nfs/dbraw/zinc/22/24/62/432222462.db2.gz DKWNAAQZLSNMCC-CJNGLKHVSA-N 2 2 300.446 3.115 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610408 196184355 /nfs/dbraw/zinc/18/43/55/196184355.db2.gz NRJXLKIBYKAGTB-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610408 196184357 /nfs/dbraw/zinc/18/43/57/196184357.db2.gz NRJXLKIBYKAGTB-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000132798253 196284984 /nfs/dbraw/zinc/28/49/84/196284984.db2.gz MOCGMJWHUMRLMB-KGLIPLIRSA-N 2 2 324.415 3.116 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)c2cnn(CC)c2)[NH+](C)C)cc1 ZINC000133800054 196336218 /nfs/dbraw/zinc/33/62/18/196336218.db2.gz YMIJSFHVVZWSPL-HNAYVOBHSA-N 2 2 314.477 3.419 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](CC)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000133805129 196337530 /nfs/dbraw/zinc/33/75/30/196337530.db2.gz RXAHSXZTJLZPAC-RTBURBONSA-N 2 2 314.477 3.326 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165449288 228265146 /nfs/dbraw/zinc/26/51/46/228265146.db2.gz QEULBFVCOBJDDW-IRXDYDNUSA-N 2 2 312.417 3.109 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000166953299 228266209 /nfs/dbraw/zinc/26/62/09/228266209.db2.gz OFGGXKGBCMSVII-LLVKDONJSA-N 2 2 317.776 3.075 20 0 DGADLP Cc1cccc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000302234280 230189197 /nfs/dbraw/zinc/18/91/97/230189197.db2.gz GOZHKBNITWFQRM-QGZVFWFLSA-N 2 2 310.445 3.013 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccncc1 ZINC000346058189 263954409 /nfs/dbraw/zinc/95/44/09/263954409.db2.gz BMEZLNUTVNKUFZ-LJQANCHMSA-N 2 2 310.445 3.182 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1Br ZINC000346313466 264008567 /nfs/dbraw/zinc/00/85/67/264008567.db2.gz QUDKDLXTAPCBFS-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346316944 264009978 /nfs/dbraw/zinc/00/99/78/264009978.db2.gz VARHWXAYYXQDQK-GOSISDBHSA-N 2 2 310.376 3.105 20 0 DGADLP Cc1cc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)ccc1F ZINC000346460894 264036204 /nfs/dbraw/zinc/03/62/04/264036204.db2.gz NCYXQGCUGCBZGV-IBGZPJMESA-N 2 2 324.403 3.495 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC[N@@H+]1C ZINC000346577768 264057491 /nfs/dbraw/zinc/05/74/91/264057491.db2.gz VRWRHXGKNOLKDC-LJHODMEESA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC[N@H+]1C ZINC000346577768 264057493 /nfs/dbraw/zinc/05/74/93/264057493.db2.gz VRWRHXGKNOLKDC-LJHODMEESA-N 2 2 313.420 3.382 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1OCCC(C)C ZINC000346655478 264073936 /nfs/dbraw/zinc/07/39/36/264073936.db2.gz RWVIEZCJPUWHIC-UHFFFAOYSA-N 2 2 306.450 3.043 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346801447 264099408 /nfs/dbraw/zinc/09/94/08/264099408.db2.gz SHWJQOWXEDYJAB-OIISXLGYSA-N 2 2 320.477 3.097 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346801447 264099411 /nfs/dbraw/zinc/09/94/11/264099411.db2.gz SHWJQOWXEDYJAB-OIISXLGYSA-N 2 2 320.477 3.097 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)[C@@H](C[NH3+])C1 ZINC000346843609 264107450 /nfs/dbraw/zinc/10/74/50/264107450.db2.gz IRQXHHVAMYNNFX-KGLIPLIRSA-N 2 2 318.392 3.024 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)[C@@H](C[NH3+])C1 ZINC000346843609 264107452 /nfs/dbraw/zinc/10/74/52/264107452.db2.gz IRQXHHVAMYNNFX-KGLIPLIRSA-N 2 2 318.392 3.024 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]21 ZINC000346849964 264109260 /nfs/dbraw/zinc/10/92/60/264109260.db2.gz GWDOKYDQZVMLAD-WDBKCZKBSA-N 2 2 316.342 3.404 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]21 ZINC000346849964 264109263 /nfs/dbraw/zinc/10/92/63/264109263.db2.gz GWDOKYDQZVMLAD-WDBKCZKBSA-N 2 2 316.342 3.404 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]12 ZINC000346852206 264109550 /nfs/dbraw/zinc/10/95/50/264109550.db2.gz KDKLWOSXZQGJOC-MRCXROJRSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]12 ZINC000346852206 264109554 /nfs/dbraw/zinc/10/95/54/264109554.db2.gz KDKLWOSXZQGJOC-MRCXROJRSA-N 2 2 302.315 3.014 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036636 264144676 /nfs/dbraw/zinc/14/46/76/264144676.db2.gz HDXOHXCHXGLMJC-CXAGYDPISA-N 2 2 318.852 3.227 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036636 264144679 /nfs/dbraw/zinc/14/46/79/264144679.db2.gz HDXOHXCHXGLMJC-CXAGYDPISA-N 2 2 318.852 3.227 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1OC ZINC000347092124 264154645 /nfs/dbraw/zinc/15/46/45/264154645.db2.gz GVJOAJSGJUCQON-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1OC ZINC000347092124 264154646 /nfs/dbraw/zinc/15/46/46/264154646.db2.gz GVJOAJSGJUCQON-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105269 264157448 /nfs/dbraw/zinc/15/74/48/264157448.db2.gz MWHDTHQVCAYUHB-SWLSCSKDSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105269 264157449 /nfs/dbraw/zinc/15/74/49/264157449.db2.gz MWHDTHQVCAYUHB-SWLSCSKDSA-N 2 2 316.367 3.329 20 0 DGADLP c1ccc(CSCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347106056 264157538 /nfs/dbraw/zinc/15/75/38/264157538.db2.gz UGBMGVZANLSGJM-SFHVURJKSA-N 2 2 314.454 3.468 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@H]1C[NH3+] ZINC000347123304 264160568 /nfs/dbraw/zinc/16/05/68/264160568.db2.gz XBJNRWPBIALJDR-FZMZJTMJSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@H]1C[NH3+] ZINC000347123304 264160570 /nfs/dbraw/zinc/16/05/70/264160570.db2.gz XBJNRWPBIALJDR-FZMZJTMJSA-N 2 2 307.488 3.431 20 0 DGADLP Cc1cc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc(C)c1OC(F)F ZINC000347136007 264163123 /nfs/dbraw/zinc/16/31/23/264163123.db2.gz TUPKZBCXVASJSO-OAHLLOKOSA-N 2 2 310.388 3.231 20 0 DGADLP Cc1cc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc(C)c1OC(F)F ZINC000347136007 264163125 /nfs/dbraw/zinc/16/31/25/264163125.db2.gz TUPKZBCXVASJSO-OAHLLOKOSA-N 2 2 310.388 3.231 20 0 DGADLP Cc1cc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)ccc1Br ZINC000347183400 264171289 /nfs/dbraw/zinc/17/12/89/264171289.db2.gz WWLMAYOQOWHPJS-AWEZNQCLSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1cc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)ccc1Br ZINC000347183400 264171291 /nfs/dbraw/zinc/17/12/91/264171291.db2.gz WWLMAYOQOWHPJS-AWEZNQCLSA-N 2 2 309.251 3.084 20 0 DGADLP CCCOc1c(C[N@H+](C)C2CC[NH2+]CC2)cccc1OCC ZINC000347207227 264175640 /nfs/dbraw/zinc/17/56/40/264175640.db2.gz MOXZQKYOAKDXFU-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1c(C[N@@H+](C)C2CC[NH2+]CC2)cccc1OCC ZINC000347207227 264175641 /nfs/dbraw/zinc/17/56/41/264175641.db2.gz MOXZQKYOAKDXFU-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)s1 ZINC000347859392 264297193 /nfs/dbraw/zinc/29/71/93/264297193.db2.gz RDFBODIHUBJEKK-MRXNPFEDSA-N 2 2 315.486 3.194 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)s1 ZINC000347859392 264297196 /nfs/dbraw/zinc/29/71/96/264297196.db2.gz RDFBODIHUBJEKK-MRXNPFEDSA-N 2 2 315.486 3.194 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000347901620 264302500 /nfs/dbraw/zinc/30/25/00/264302500.db2.gz LILCVNPRVIRQMF-QFBILLFUSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000347929391 264308297 /nfs/dbraw/zinc/30/82/97/264308297.db2.gz WSFQSXVFENPNPN-KRWDZBQOSA-N 2 2 309.457 3.363 20 0 DGADLP COCCNc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348045540 264327692 /nfs/dbraw/zinc/32/76/92/264327692.db2.gz QZRJARHUCOQAPU-UHFFFAOYSA-N 2 2 313.445 3.171 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000348072821 264334199 /nfs/dbraw/zinc/33/41/99/264334199.db2.gz MYOFONBBJSUAIG-UHFFFAOYSA-N 2 2 323.444 3.397 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000348093727 264338660 /nfs/dbraw/zinc/33/86/60/264338660.db2.gz CNLHGENTVWLKKC-UHFFFAOYSA-N 2 2 322.412 3.205 20 0 DGADLP COC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Cl)c1F ZINC000348112119 264343265 /nfs/dbraw/zinc/34/32/65/264343265.db2.gz VZQXSENKOOYGAG-HNNXBMFYSA-N 2 2 314.832 3.242 20 0 DGADLP COC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Cl)c1F ZINC000348112121 264343329 /nfs/dbraw/zinc/34/33/29/264343329.db2.gz VZQXSENKOOYGAG-OAHLLOKOSA-N 2 2 314.832 3.242 20 0 DGADLP CC(C)[NH+](CCCNc1cc(N2CCCCC2)nc[nH+]1)C(C)C ZINC000348175762 264357492 /nfs/dbraw/zinc/35/74/92/264357492.db2.gz FHENRNVLBRVCJV-UHFFFAOYSA-N 2 2 319.497 3.388 20 0 DGADLP CC(C)[NH+](CCCNc1cc(N2CCCCC2)[nH+]cn1)C(C)C ZINC000348175762 264357494 /nfs/dbraw/zinc/35/74/94/264357494.db2.gz FHENRNVLBRVCJV-UHFFFAOYSA-N 2 2 319.497 3.388 20 0 DGADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000348173373 264357652 /nfs/dbraw/zinc/35/76/52/264357652.db2.gz IZTILXUKLMSUSS-ICSRJNTNSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000348173373 264357655 /nfs/dbraw/zinc/35/76/55/264357655.db2.gz IZTILXUKLMSUSS-ICSRJNTNSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000348173373 264357658 /nfs/dbraw/zinc/35/76/58/264357658.db2.gz IZTILXUKLMSUSS-ICSRJNTNSA-N 2 2 324.472 3.164 20 0 DGADLP Oc1cc(F)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000348191398 264361805 /nfs/dbraw/zinc/36/18/05/264361805.db2.gz FVTSTFYPYXDUTE-UHFFFAOYSA-N 2 2 311.360 3.066 20 0 DGADLP Clc1cnc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000348195519 264362597 /nfs/dbraw/zinc/36/25/97/264362597.db2.gz XVKNNJBCUSFMPU-UHFFFAOYSA-N 2 2 318.833 3.331 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCCOC1 ZINC000348318535 264389041 /nfs/dbraw/zinc/38/90/41/264389041.db2.gz KQHPVBHAZREZHF-RTBURBONSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCCOC1 ZINC000348318535 264389042 /nfs/dbraw/zinc/38/90/42/264389042.db2.gz KQHPVBHAZREZHF-RTBURBONSA-N 2 2 304.478 3.159 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330623 264391544 /nfs/dbraw/zinc/39/15/44/264391544.db2.gz TUNJBKQAVZQGHB-LKFCYVNXSA-N 2 2 322.321 3.413 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330623 264391545 /nfs/dbraw/zinc/39/15/45/264391545.db2.gz TUNJBKQAVZQGHB-LKFCYVNXSA-N 2 2 322.321 3.413 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330624 264391726 /nfs/dbraw/zinc/39/17/26/264391726.db2.gz TUNJBKQAVZQGHB-OTYXRUKQSA-N 2 2 322.321 3.413 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330624 264391728 /nfs/dbraw/zinc/39/17/28/264391728.db2.gz TUNJBKQAVZQGHB-OTYXRUKQSA-N 2 2 322.321 3.413 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000348355086 264395693 /nfs/dbraw/zinc/39/56/93/264395693.db2.gz JXKQIXRURMXXHB-WOJBJXKFSA-N 2 2 321.468 3.208 20 0 DGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)[C@H]1CCCSC1 ZINC000348361175 264397191 /nfs/dbraw/zinc/39/71/91/264397191.db2.gz RYQOGECYRJOZQM-KRWDZBQOSA-N 2 2 308.491 3.167 20 0 DGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)[C@H]1CCCSC1 ZINC000348361175 264397190 /nfs/dbraw/zinc/39/71/90/264397190.db2.gz RYQOGECYRJOZQM-KRWDZBQOSA-N 2 2 308.491 3.167 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000348374841 264398776 /nfs/dbraw/zinc/39/87/76/264398776.db2.gz AIZZAOVKFCFZON-OAHLLOKOSA-N 2 2 311.267 3.368 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000352338754 265006901 /nfs/dbraw/zinc/00/69/01/265006901.db2.gz WAFGLXMIEPFZQI-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352701630 265134690 /nfs/dbraw/zinc/13/46/90/265134690.db2.gz LUKHNFVVBDREMS-RVKKMQEKSA-N 2 2 308.441 3.366 20 0 DGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352701630 265134692 /nfs/dbraw/zinc/13/46/92/265134692.db2.gz LUKHNFVVBDREMS-RVKKMQEKSA-N 2 2 308.441 3.366 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)s1 ZINC000352706669 265135467 /nfs/dbraw/zinc/13/54/67/265135467.db2.gz PKYGJSLVPALXHN-CQSZACIVSA-N 2 2 323.506 3.176 20 0 DGADLP Cc1cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1Cl ZINC000352738414 265146561 /nfs/dbraw/zinc/14/65/61/265146561.db2.gz MWMWRWDTHYTKCS-UHFFFAOYSA-N 2 2 309.866 3.456 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CCSC1 ZINC000352748227 265151288 /nfs/dbraw/zinc/15/12/88/265151288.db2.gz HFQXPHXRBLHTCI-QGZUEGPWSA-N 2 2 312.429 3.005 20 0 DGADLP Cc1nc(C(C)(C)[NH2+]Cc2ncc(C[NH+](C)C)s2)sc1C ZINC000352752482 265152252 /nfs/dbraw/zinc/15/22/52/265152252.db2.gz ANNPWBCFJHIKDD-UHFFFAOYSA-N 2 2 324.519 3.303 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000352826179 265184281 /nfs/dbraw/zinc/18/42/81/265184281.db2.gz AVMHLPORKBHIIC-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000352826179 265184284 /nfs/dbraw/zinc/18/42/84/265184284.db2.gz AVMHLPORKBHIIC-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000352826179 265184286 /nfs/dbraw/zinc/18/42/86/265184286.db2.gz AVMHLPORKBHIIC-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000352826179 265184288 /nfs/dbraw/zinc/18/42/88/265184288.db2.gz AVMHLPORKBHIIC-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352831700 265188159 /nfs/dbraw/zinc/18/81/59/265188159.db2.gz MPTKKIXMRBEACF-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352831700 265188161 /nfs/dbraw/zinc/18/81/61/265188161.db2.gz MPTKKIXMRBEACF-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000352831700 265188163 /nfs/dbraw/zinc/18/81/63/265188163.db2.gz MPTKKIXMRBEACF-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000352831700 265188166 /nfs/dbraw/zinc/18/81/66/265188166.db2.gz MPTKKIXMRBEACF-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000352857659 265200820 /nfs/dbraw/zinc/20/08/20/265200820.db2.gz ZATQHGWMJJSMTJ-UHFFFAOYSA-N 2 2 304.356 3.233 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1OC(C)C ZINC000352933708 265237626 /nfs/dbraw/zinc/23/76/26/265237626.db2.gz SWCDYZADXGXEBV-WBVHZDCISA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1OC(C)C ZINC000352933708 265237627 /nfs/dbraw/zinc/23/76/27/265237627.db2.gz SWCDYZADXGXEBV-WBVHZDCISA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1OC(C)C ZINC000352933708 265237632 /nfs/dbraw/zinc/23/76/32/265237632.db2.gz SWCDYZADXGXEBV-WBVHZDCISA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1OC(C)C ZINC000352933708 265237634 /nfs/dbraw/zinc/23/76/34/265237634.db2.gz SWCDYZADXGXEBV-WBVHZDCISA-N 2 2 318.461 3.008 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353063423 265283489 /nfs/dbraw/zinc/28/34/89/265283489.db2.gz UIEPSWOBAMKPKA-ZDUSSCGKSA-N 2 2 308.857 3.198 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353063423 265283495 /nfs/dbraw/zinc/28/34/95/265283495.db2.gz UIEPSWOBAMKPKA-ZDUSSCGKSA-N 2 2 308.857 3.198 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000354350370 265747309 /nfs/dbraw/zinc/74/73/09/265747309.db2.gz CPKSPGYXCDIGHU-XNYRCJLNSA-N 2 2 324.509 3.351 20 0 DGADLP Cc1ccc(CCC[NH2+]CC[C@@H]2COc3ccccc3O2)c[nH+]1 ZINC000354512858 265793844 /nfs/dbraw/zinc/79/38/44/265793844.db2.gz OTILROKTASQZTK-QGZVFWFLSA-N 2 2 312.413 3.142 20 0 DGADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000355360352 266049747 /nfs/dbraw/zinc/04/97/47/266049747.db2.gz DXKDAMJCUWFIBE-AWEZNQCLSA-N 2 2 318.490 3.455 20 0 DGADLP CCc1cccc(Cl)c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000355724719 266165982 /nfs/dbraw/zinc/16/59/82/266165982.db2.gz ICCLIXATBBXADX-UHFFFAOYSA-N 2 2 324.896 3.181 20 0 DGADLP CCc1cccc(Cl)c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000355724719 266165987 /nfs/dbraw/zinc/16/59/87/266165987.db2.gz ICCLIXATBBXADX-UHFFFAOYSA-N 2 2 324.896 3.181 20 0 DGADLP Cc1cc(N[C@@H]2CC[NH2+]CC(C)(C)C2)nc(-c2cccnc2)[nH+]1 ZINC000634813532 424845092 /nfs/dbraw/zinc/84/50/92/424845092.db2.gz NXGQQVRFKWAERC-OAHLLOKOSA-N 2 2 311.433 3.037 20 0 DGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1[C@H]1CCCO1 ZINC000356243148 266330869 /nfs/dbraw/zinc/33/08/69/266330869.db2.gz GQJSJMKREFQDRN-HZPDHXFCSA-N 2 2 317.458 3.323 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000172809358 432237631 /nfs/dbraw/zinc/23/76/31/432237631.db2.gz SQRUPFIOMGLNOM-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(CO)c1 ZINC000270481405 432249360 /nfs/dbraw/zinc/24/93/60/432249360.db2.gz KQVINVJIYHPFJD-DLBZAZTESA-N 2 2 312.457 3.350 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(CO)c1 ZINC000270481405 432249364 /nfs/dbraw/zinc/24/93/64/432249364.db2.gz KQVINVJIYHPFJD-DLBZAZTESA-N 2 2 312.457 3.350 20 0 DGADLP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000359886324 271009438 /nfs/dbraw/zinc/00/94/38/271009438.db2.gz ZPLYGZVYQWCTKT-LJQANCHMSA-N 2 2 323.440 3.108 20 0 DGADLP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000359886324 271009441 /nfs/dbraw/zinc/00/94/41/271009441.db2.gz ZPLYGZVYQWCTKT-LJQANCHMSA-N 2 2 323.440 3.108 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CC3(c4ccccn4)CCC3)cc2)c[nH+]1 ZINC000367583961 271047297 /nfs/dbraw/zinc/04/72/97/271047297.db2.gz GQJRCOPNFMKJGO-UHFFFAOYSA-N 2 2 318.424 3.479 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367706340 271067081 /nfs/dbraw/zinc/06/70/81/271067081.db2.gz SEQMJDGMYUTHMZ-QGZVFWFLSA-N 2 2 313.445 3.444 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367706340 271067083 /nfs/dbraw/zinc/06/70/83/271067083.db2.gz SEQMJDGMYUTHMZ-QGZVFWFLSA-N 2 2 313.445 3.444 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000367708336 271068406 /nfs/dbraw/zinc/06/84/06/271068406.db2.gz UQECJJKLBGQWGT-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000367708336 271068410 /nfs/dbraw/zinc/06/84/10/271068410.db2.gz UQECJJKLBGQWGT-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP c1ccc([C@@H]([NH2+]CC[NH+]2CCCCC2)C2CCOCC2)cc1 ZINC000367730096 271071142 /nfs/dbraw/zinc/07/11/42/271071142.db2.gz WKZRKHMOFWUDMT-LJQANCHMSA-N 2 2 302.462 3.230 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000367765001 271074012 /nfs/dbraw/zinc/07/40/12/271074012.db2.gz HEGJLDYYFCRHTA-GOSISDBHSA-N 2 2 311.429 3.135 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3ccc(O)cc31)CCC2 ZINC000367759706 271074875 /nfs/dbraw/zinc/07/48/75/271074875.db2.gz VOUIVUDUQILQED-QAPCUYQASA-N 2 2 311.429 3.442 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369540314 271290776 /nfs/dbraw/zinc/29/07/76/271290776.db2.gz NEQLKFACJUPNSM-JKSUJKDBSA-N 2 2 312.461 3.334 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369540314 271290778 /nfs/dbraw/zinc/29/07/78/271290778.db2.gz NEQLKFACJUPNSM-JKSUJKDBSA-N 2 2 312.461 3.334 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000369682296 271309645 /nfs/dbraw/zinc/30/96/45/271309645.db2.gz CYZKWAZROAJZQZ-NSHDSACASA-N 2 2 309.335 3.217 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000369682296 271309650 /nfs/dbraw/zinc/30/96/50/271309650.db2.gz CYZKWAZROAJZQZ-NSHDSACASA-N 2 2 309.335 3.217 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000247887293 432252944 /nfs/dbraw/zinc/25/29/44/432252944.db2.gz DKGQLJSQPROETN-MGPQQGTHSA-N 2 2 312.404 3.115 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921319 432255408 /nfs/dbraw/zinc/25/54/08/432255408.db2.gz BFGZBMHTBAJWHO-ZIAGYGMSSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921319 432255412 /nfs/dbraw/zinc/25/54/12/432255412.db2.gz BFGZBMHTBAJWHO-ZIAGYGMSSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921319 432255414 /nfs/dbraw/zinc/25/54/14/432255414.db2.gz BFGZBMHTBAJWHO-ZIAGYGMSSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921319 432255416 /nfs/dbraw/zinc/25/54/16/432255416.db2.gz BFGZBMHTBAJWHO-ZIAGYGMSSA-N 2 2 317.458 3.319 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542804 432256541 /nfs/dbraw/zinc/25/65/41/432256541.db2.gz XXOLYVGLGCKGPH-LAUBAEHRSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542804 432256549 /nfs/dbraw/zinc/25/65/49/432256549.db2.gz XXOLYVGLGCKGPH-LAUBAEHRSA-N 2 2 324.468 3.494 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423276271 273546102 /nfs/dbraw/zinc/54/61/02/273546102.db2.gz OCHOHCUWBDLBGW-STQMWFEESA-N 2 2 315.230 3.148 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423240517 273685529 /nfs/dbraw/zinc/68/55/29/273685529.db2.gz HIDRMHFIEOIZEE-GFCCVEGCSA-N 2 2 315.280 3.185 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247958991 432257159 /nfs/dbraw/zinc/25/71/59/432257159.db2.gz FYLMHXSAEGCEMJ-LSTDLKDCSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000247958991 432257162 /nfs/dbraw/zinc/25/71/62/432257162.db2.gz FYLMHXSAEGCEMJ-LSTDLKDCSA-N 3 2 317.521 3.434 20 0 DGADLP COC1(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000480399126 274014865 /nfs/dbraw/zinc/01/48/65/274014865.db2.gz XKDNULIXGFVMCK-WMZOPIPTSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000480399126 274014866 /nfs/dbraw/zinc/01/48/66/274014866.db2.gz XKDNULIXGFVMCK-WMZOPIPTSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414762737 274302526 /nfs/dbraw/zinc/30/25/26/274302526.db2.gz AYPOWRFTTPGRJZ-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414762737 274302527 /nfs/dbraw/zinc/30/25/27/274302527.db2.gz AYPOWRFTTPGRJZ-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@@H]1C[NH3+] ZINC000422565136 274398873 /nfs/dbraw/zinc/39/88/73/274398873.db2.gz XSEYMZUYPNCSCS-AGIUHOORSA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@@H]1C[NH3+] ZINC000422565136 274398874 /nfs/dbraw/zinc/39/88/74/274398874.db2.gz XSEYMZUYPNCSCS-AGIUHOORSA-N 2 2 320.868 3.032 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21 ZINC000423010921 274495893 /nfs/dbraw/zinc/49/58/93/274495893.db2.gz AGZOQTZQNSSLRR-IXDOHACOSA-N 2 2 316.489 3.198 20 0 DGADLP Cc1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)no1 ZINC000280261122 274695749 /nfs/dbraw/zinc/69/57/49/274695749.db2.gz POEMCTFXXKOBCD-UHFFFAOYSA-N 2 2 310.401 3.478 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCC2 ZINC000423003111 274824608 /nfs/dbraw/zinc/82/46/08/274824608.db2.gz GZEUETMTUGSENN-IPMKNSEASA-N 3 2 324.472 3.152 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000193157607 275371986 /nfs/dbraw/zinc/37/19/86/275371986.db2.gz QYZRVGLJOHZCRZ-OAHLLOKOSA-N 2 2 309.251 3.122 20 0 DGADLP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423266304 275393880 /nfs/dbraw/zinc/39/38/80/275393880.db2.gz BOPMHDSTMZOCEL-IPMKNSEASA-N 3 2 307.526 3.199 20 0 DGADLP CC(C)C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccs1 ZINC000414311494 275587909 /nfs/dbraw/zinc/58/79/09/275587909.db2.gz IOOHVUKNRDVSRI-CQSZACIVSA-N 2 2 306.479 3.425 20 0 DGADLP Cc1nc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647252 429358445 /nfs/dbraw/zinc/35/84/45/429358445.db2.gz XXSOTCWIHOHVQA-QAPCUYQASA-N 2 2 310.445 3.498 20 0 DGADLP Cc1nc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000511647252 429358449 /nfs/dbraw/zinc/35/84/49/429358449.db2.gz XXSOTCWIHOHVQA-QAPCUYQASA-N 2 2 310.445 3.498 20 0 DGADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053478 276134045 /nfs/dbraw/zinc/13/40/45/276134045.db2.gz FMQDNTSJLPJTQG-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053478 276134046 /nfs/dbraw/zinc/13/40/46/276134046.db2.gz FMQDNTSJLPJTQG-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053478 276134047 /nfs/dbraw/zinc/13/40/47/276134047.db2.gz FMQDNTSJLPJTQG-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000129053478 276134048 /nfs/dbraw/zinc/13/40/48/276134048.db2.gz FMQDNTSJLPJTQG-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435389702 276144529 /nfs/dbraw/zinc/14/45/29/276144529.db2.gz LZSVHKAWVJWUMP-CQSZACIVSA-N 2 2 320.868 3.191 20 0 DGADLP CC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435389702 276144530 /nfs/dbraw/zinc/14/45/30/276144530.db2.gz LZSVHKAWVJWUMP-CQSZACIVSA-N 2 2 320.868 3.191 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000415109764 277172805 /nfs/dbraw/zinc/17/28/05/277172805.db2.gz MFWRHPUBHNNXCN-ZDUSSCGKSA-N 2 2 322.415 3.056 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000415109764 277172808 /nfs/dbraw/zinc/17/28/08/277172808.db2.gz MFWRHPUBHNNXCN-ZDUSSCGKSA-N 2 2 322.415 3.056 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145995 277185574 /nfs/dbraw/zinc/18/55/74/277185574.db2.gz HSLWSWIDCOHZBI-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145995 277185575 /nfs/dbraw/zinc/18/55/75/277185575.db2.gz HSLWSWIDCOHZBI-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145995 277185576 /nfs/dbraw/zinc/18/55/76/277185576.db2.gz HSLWSWIDCOHZBI-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C2)C1 ZINC000430145995 277185577 /nfs/dbraw/zinc/18/55/77/277185577.db2.gz HSLWSWIDCOHZBI-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000344522759 277194489 /nfs/dbraw/zinc/19/44/89/277194489.db2.gz KULLHFQAWWKGSN-SJORKVTESA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178651966 277249142 /nfs/dbraw/zinc/24/91/42/277249142.db2.gz NJNVAPLQUOQWCN-MRXNPFEDSA-N 2 2 314.433 3.075 20 0 DGADLP C[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423223024 277272858 /nfs/dbraw/zinc/27/28/58/277272858.db2.gz DOPWKVUULHTRFV-AWEZNQCLSA-N 2 2 301.459 3.305 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1nc2ccc(Cl)cc2n1C ZINC000423377422 277620746 /nfs/dbraw/zinc/62/07/46/277620746.db2.gz YSEVKXNRBAPNSB-DGCLKSJQSA-N 2 2 306.841 3.019 20 0 DGADLP CCc1cc(NC[C@@H](Cc2ccccc2)[NH+](CC)CC)nc[nH+]1 ZINC000603381140 430548381 /nfs/dbraw/zinc/54/83/81/430548381.db2.gz MONVSACWSPUJSX-GOSISDBHSA-N 2 2 312.461 3.404 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442665553 278125096 /nfs/dbraw/zinc/12/50/96/278125096.db2.gz PIHVBTOVZXWWHI-GJZGRUSLSA-N 2 2 300.450 3.144 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442665553 278125099 /nfs/dbraw/zinc/12/50/99/278125099.db2.gz PIHVBTOVZXWWHI-GJZGRUSLSA-N 2 2 300.450 3.144 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000194036053 278210068 /nfs/dbraw/zinc/21/00/68/278210068.db2.gz OERGMPSUGVPIPD-NXWXRZEISA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000194036053 278210069 /nfs/dbraw/zinc/21/00/69/278210069.db2.gz OERGMPSUGVPIPD-NXWXRZEISA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccn1C ZINC000183022549 278264738 /nfs/dbraw/zinc/26/47/38/278264738.db2.gz ZVPMHEYTVKGPCM-LZWOXQAQSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nccn1C ZINC000183022549 278264740 /nfs/dbraw/zinc/26/47/40/278264740.db2.gz ZVPMHEYTVKGPCM-LZWOXQAQSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000165399728 278335898 /nfs/dbraw/zinc/33/58/98/278335898.db2.gz CNRXCNWSKJJHLP-OAHLLOKOSA-N 2 2 320.452 3.195 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000414713038 278369248 /nfs/dbraw/zinc/36/92/48/278369248.db2.gz VEKAKOZOUARDBK-SFHVURJKSA-N 2 2 304.478 3.137 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000414713038 278369249 /nfs/dbraw/zinc/36/92/49/278369249.db2.gz VEKAKOZOUARDBK-SFHVURJKSA-N 2 2 304.478 3.137 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]C2CCC([NH3+])CC2)c2cccs2)CC1 ZINC000415084910 278551016 /nfs/dbraw/zinc/55/10/16/278551016.db2.gz PEWXTWDMWIBMHQ-OFLPRAFFSA-N 3 2 321.534 3.381 20 0 DGADLP CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422937453 288062748 /nfs/dbraw/zinc/06/27/48/288062748.db2.gz GMXYNNMTDCXHGD-JYJNAYRXSA-N 2 2 304.434 3.029 20 0 DGADLP CCCC[C@@H](C[NH3+])N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000423293673 278724597 /nfs/dbraw/zinc/72/45/97/278724597.db2.gz ANLZAJDGZHFSNZ-JKSUJKDBSA-N 2 2 320.868 3.270 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000270680791 279171453 /nfs/dbraw/zinc/17/14/53/279171453.db2.gz UVGOPPRTNOJUKF-UHFFFAOYSA-N 2 2 315.261 3.008 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000270680791 279171457 /nfs/dbraw/zinc/17/14/57/279171457.db2.gz UVGOPPRTNOJUKF-UHFFFAOYSA-N 2 2 315.261 3.008 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423316961 279297953 /nfs/dbraw/zinc/29/79/53/279297953.db2.gz BVSQTEWWUMIJMV-AMIZOPFISA-N 2 2 317.658 3.490 20 0 DGADLP CCc1cc(NCCC[NH+](CC)CC)nc(-c2ccncc2)[nH+]1 ZINC000109317049 431174389 /nfs/dbraw/zinc/17/43/89/431174389.db2.gz JJRFIXGZPNCWSD-UHFFFAOYSA-N 2 2 313.449 3.245 20 0 DGADLP CC(C)c1nc(NC[C@H](c2cccc(F)c2)[NH+](C)C)cc[nH+]1 ZINC000110113958 431183040 /nfs/dbraw/zinc/18/30/40/431183040.db2.gz JUGACKZINXCDIY-OAHLLOKOSA-N 2 2 302.397 3.454 20 0 DGADLP Clc1ccc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cn2c1 ZINC000111244215 431200790 /nfs/dbraw/zinc/20/07/90/431200790.db2.gz DPWXWAIIXCKWLF-UHFFFAOYSA-N 2 2 315.808 3.021 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423137661 279463260 /nfs/dbraw/zinc/46/32/60/279463260.db2.gz WREKXWUBJAEPIH-RAEVTNRLSA-N 2 2 322.399 3.299 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423065435 279482569 /nfs/dbraw/zinc/48/25/69/279482569.db2.gz UKUSFMKALVXFOD-NWANDNLSSA-N 2 2 300.368 3.453 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174286 431241270 /nfs/dbraw/zinc/24/12/70/431241270.db2.gz UYKAIZPNJJPYDP-VXGBXAGGSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174286 431241275 /nfs/dbraw/zinc/24/12/75/431241275.db2.gz UYKAIZPNJJPYDP-VXGBXAGGSA-N 2 2 307.488 3.431 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000070149879 431241348 /nfs/dbraw/zinc/24/13/48/431241348.db2.gz JUTIIMSJHXKFJC-CYBMUJFWSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1Br ZINC000070149879 431241356 /nfs/dbraw/zinc/24/13/56/431241356.db2.gz JUTIIMSJHXKFJC-CYBMUJFWSA-N 2 2 315.230 3.292 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(Cl)c1 ZINC000070143074 431242662 /nfs/dbraw/zinc/24/26/62/431242662.db2.gz VTMFBLXUPCDGFF-OAHLLOKOSA-N 2 2 306.841 3.380 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071314476 431276701 /nfs/dbraw/zinc/27/67/01/431276701.db2.gz NMNLHYSKZODBIF-GFCCVEGCSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071314476 431276706 /nfs/dbraw/zinc/27/67/06/431276706.db2.gz NMNLHYSKZODBIF-GFCCVEGCSA-N 2 2 315.230 3.162 20 0 DGADLP CC(C)(C)C[N@H+](CCCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000112599721 431289007 /nfs/dbraw/zinc/28/90/07/431289007.db2.gz GYWQMBGSICDKGJ-UHFFFAOYSA-N 2 2 301.434 3.103 20 0 DGADLP CC(C)(C)C[N@@H+](CCCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000112599721 431289014 /nfs/dbraw/zinc/28/90/14/431289014.db2.gz GYWQMBGSICDKGJ-UHFFFAOYSA-N 2 2 301.434 3.103 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000113512127 431351432 /nfs/dbraw/zinc/35/14/32/431351432.db2.gz MIALYHOCVNIBRY-MRXNPFEDSA-N 2 2 311.429 3.257 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000113512127 431351442 /nfs/dbraw/zinc/35/14/42/431351442.db2.gz MIALYHOCVNIBRY-MRXNPFEDSA-N 2 2 311.429 3.257 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nc(C)no1 ZINC000073637335 431377917 /nfs/dbraw/zinc/37/79/17/431377917.db2.gz HEWVIIXKHIBLDB-CYBMUJFWSA-N 2 2 302.422 3.071 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000077249565 431579524 /nfs/dbraw/zinc/57/95/24/431579524.db2.gz BXGNMWZWJXRLTJ-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000077249565 431579530 /nfs/dbraw/zinc/57/95/30/431579530.db2.gz BXGNMWZWJXRLTJ-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000077290869 431580885 /nfs/dbraw/zinc/58/08/85/431580885.db2.gz ILFKXVNYJUMTPC-UHFFFAOYSA-N 2 2 312.461 3.163 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841614 431619872 /nfs/dbraw/zinc/61/98/72/431619872.db2.gz HUBFMWAVXHYYNN-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841614 431619877 /nfs/dbraw/zinc/61/98/77/431619877.db2.gz HUBFMWAVXHYYNN-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841614 431619883 /nfs/dbraw/zinc/61/98/83/431619883.db2.gz HUBFMWAVXHYYNN-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841614 431619889 /nfs/dbraw/zinc/61/98/89/431619889.db2.gz HUBFMWAVXHYYNN-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP c1c[nH+]c(CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)[nH]1 ZINC000119272365 431668084 /nfs/dbraw/zinc/66/80/84/431668084.db2.gz BXYNAVXZNQSCAE-UHFFFAOYSA-N 2 2 324.472 3.430 20 0 DGADLP c1c[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)[nH]1 ZINC000119272365 431668090 /nfs/dbraw/zinc/66/80/90/431668090.db2.gz BXYNAVXZNQSCAE-UHFFFAOYSA-N 2 2 324.472 3.430 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCCOCC3CC3)C2)cc1 ZINC000120460110 431726401 /nfs/dbraw/zinc/72/64/01/431726401.db2.gz JRAOKJBEUQDVEW-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCCOCC3CC3)C2)cc1 ZINC000120460110 431726411 /nfs/dbraw/zinc/72/64/11/431726411.db2.gz JRAOKJBEUQDVEW-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP CCN(CC)[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000122176131 431817708 /nfs/dbraw/zinc/81/77/08/431817708.db2.gz FLABPKNPYLMFTL-GOSISDBHSA-N 2 2 323.912 3.407 20 0 DGADLP CC[NH+](CC)[C@H](CNC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000122176131 431817713 /nfs/dbraw/zinc/81/77/13/431817713.db2.gz FLABPKNPYLMFTL-GOSISDBHSA-N 2 2 323.912 3.407 20 0 DGADLP Clc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000036932145 431842355 /nfs/dbraw/zinc/84/23/55/431842355.db2.gz RJHLXNNSIKRHIY-UHFFFAOYSA-N 2 2 301.821 3.494 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Br ZINC000037157922 431845357 /nfs/dbraw/zinc/84/53/57/431845357.db2.gz WBGBLKOTXJLSRT-NEPJUHHUSA-N 2 2 308.223 3.385 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089131718 431860633 /nfs/dbraw/zinc/86/06/33/431860633.db2.gz NTFWVWPBQHNZDA-AWEZNQCLSA-N 2 2 324.490 3.007 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089131718 431860635 /nfs/dbraw/zinc/86/06/35/431860635.db2.gz NTFWVWPBQHNZDA-AWEZNQCLSA-N 2 2 324.490 3.007 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122325295 431827295 /nfs/dbraw/zinc/82/72/95/431827295.db2.gz LGMZBWRFINIRCU-MJGOQNOKSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000122325295 431827298 /nfs/dbraw/zinc/82/72/98/431827298.db2.gz LGMZBWRFINIRCU-MJGOQNOKSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000124994330 431910960 /nfs/dbraw/zinc/91/09/60/431910960.db2.gz INOZJRUNSNGIBO-RACLHMPKSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000124994330 431910963 /nfs/dbraw/zinc/91/09/63/431910963.db2.gz INOZJRUNSNGIBO-RACLHMPKSA-N 2 2 314.473 3.054 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000044533963 431875329 /nfs/dbraw/zinc/87/53/29/431875329.db2.gz FBEMZOGEYFQIFG-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000044533963 431875332 /nfs/dbraw/zinc/87/53/32/431875332.db2.gz FBEMZOGEYFQIFG-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP c1[nH]c2ccccc2c1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123904661 431877835 /nfs/dbraw/zinc/87/78/35/431877835.db2.gz NVKQZLHVCDDUJE-UHFFFAOYSA-N 2 2 320.440 3.364 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccoc2)n1 ZINC000124222371 431886349 /nfs/dbraw/zinc/88/63/49/431886349.db2.gz IESOSNNWFIMNGA-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccoc2)n1 ZINC000124222371 431886351 /nfs/dbraw/zinc/88/63/51/431886351.db2.gz IESOSNNWFIMNGA-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000090003823 431888734 /nfs/dbraw/zinc/88/87/34/431888734.db2.gz FESZDIYFJOGCNY-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000090003823 431888736 /nfs/dbraw/zinc/88/87/36/431888736.db2.gz FESZDIYFJOGCNY-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1c(CCC[NH2+]Cc2cccnc2Cl)[nH+]c2ccccc21 ZINC000124379805 431892737 /nfs/dbraw/zinc/89/27/37/431892737.db2.gz QDVVWKWKNRLDQV-UHFFFAOYSA-N 2 2 314.820 3.344 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000090914198 431897237 /nfs/dbraw/zinc/89/72/37/431897237.db2.gz UBQUPZIFNBUGIH-QMMLZNLJSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000090914198 431897240 /nfs/dbraw/zinc/89/72/40/431897240.db2.gz UBQUPZIFNBUGIH-QMMLZNLJSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000090913979 431897513 /nfs/dbraw/zinc/89/75/13/431897513.db2.gz CPPROEPUAJHJNU-WMQCIHAUSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000090913979 431897514 /nfs/dbraw/zinc/89/75/14/431897514.db2.gz CPPROEPUAJHJNU-WMQCIHAUSA-N 2 2 324.468 3.281 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733011 431902298 /nfs/dbraw/zinc/90/22/98/431902298.db2.gz YRNJGLNNCHLKJD-CVEARBPZSA-N 2 2 308.491 3.213 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733011 431902301 /nfs/dbraw/zinc/90/23/01/431902301.db2.gz YRNJGLNNCHLKJD-CVEARBPZSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733011 431902303 /nfs/dbraw/zinc/90/23/03/431902303.db2.gz YRNJGLNNCHLKJD-CVEARBPZSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733011 431902304 /nfs/dbraw/zinc/90/23/04/431902304.db2.gz YRNJGLNNCHLKJD-CVEARBPZSA-N 2 2 308.491 3.213 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1C ZINC000092078561 431907236 /nfs/dbraw/zinc/90/72/36/431907236.db2.gz YRMCDSXFBVJYKF-SFHVURJKSA-N 2 2 316.489 3.297 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1C ZINC000092078561 431907239 /nfs/dbraw/zinc/90/72/39/431907239.db2.gz YRMCDSXFBVJYKF-SFHVURJKSA-N 2 2 316.489 3.297 20 0 DGADLP CCCC[N@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051092506 431949689 /nfs/dbraw/zinc/94/96/89/431949689.db2.gz XZFOIFKIYIVXDV-INIZCTEOSA-N 2 2 303.450 3.136 20 0 DGADLP CCCC[N@@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051092506 431949692 /nfs/dbraw/zinc/94/96/92/431949692.db2.gz XZFOIFKIYIVXDV-INIZCTEOSA-N 2 2 303.450 3.136 20 0 DGADLP CCC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CC1 ZINC000051092561 431950462 /nfs/dbraw/zinc/95/04/62/431950462.db2.gz GJACOHFWVMDLBL-QGZVFWFLSA-N 2 2 315.461 3.136 20 0 DGADLP CCC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CC1 ZINC000051092561 431950464 /nfs/dbraw/zinc/95/04/64/431950464.db2.gz GJACOHFWVMDLBL-QGZVFWFLSA-N 2 2 315.461 3.136 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126775723 431957611 /nfs/dbraw/zinc/95/76/11/431957611.db2.gz RGWIQZCSVHZQDM-IXDOHACOSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775723 431957613 /nfs/dbraw/zinc/95/76/13/431957613.db2.gz RGWIQZCSVHZQDM-IXDOHACOSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775723 431957615 /nfs/dbraw/zinc/95/76/15/431957615.db2.gz RGWIQZCSVHZQDM-IXDOHACOSA-N 3 2 321.534 3.032 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000126852128 431959810 /nfs/dbraw/zinc/95/98/10/431959810.db2.gz OXBNDOHDOFBYHZ-INIZCTEOSA-N 2 2 301.434 3.488 20 0 DGADLP CC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000128099653 431987102 /nfs/dbraw/zinc/98/71/02/431987102.db2.gz PWZJAAXYMIIYPL-CQSZACIVSA-N 2 2 301.409 3.460 20 0 DGADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000128099653 431987103 /nfs/dbraw/zinc/98/71/03/431987103.db2.gz PWZJAAXYMIIYPL-CQSZACIVSA-N 2 2 301.409 3.460 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc2[nH+]ccn21)N(C)C ZINC000442989360 281389240 /nfs/dbraw/zinc/38/92/40/281389240.db2.gz JUWBFBXFHHOENV-JXFKEZNVSA-N 2 2 322.456 3.424 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2ccsc2n1 ZINC000191479857 432269225 /nfs/dbraw/zinc/26/92/25/432269225.db2.gz IZPUTMSBIZGDOI-UHFFFAOYSA-N 2 2 317.462 3.067 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2ccsc2n1 ZINC000191479857 432269230 /nfs/dbraw/zinc/26/92/30/432269230.db2.gz IZPUTMSBIZGDOI-UHFFFAOYSA-N 2 2 317.462 3.067 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000191521532 432272206 /nfs/dbraw/zinc/27/22/06/432272206.db2.gz QYFQWPQAIKZGFH-AWEZNQCLSA-N 2 2 319.453 3.425 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000191521532 432272210 /nfs/dbraw/zinc/27/22/10/432272210.db2.gz QYFQWPQAIKZGFH-AWEZNQCLSA-N 2 2 319.453 3.425 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000191517943 432272223 /nfs/dbraw/zinc/27/22/23/432272223.db2.gz ZLHUPNMQWSZMJE-UHFFFAOYSA-N 2 2 319.453 3.038 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000191517943 432272229 /nfs/dbraw/zinc/27/22/29/432272229.db2.gz ZLHUPNMQWSZMJE-UHFFFAOYSA-N 2 2 319.453 3.038 20 0 DGADLP COc1cc(C[N@H+](Cc2cccc3[nH+]ccn32)C2CC2)ccc1O ZINC000191511582 432272451 /nfs/dbraw/zinc/27/24/51/432272451.db2.gz UVJHQOXJQIMHSO-UHFFFAOYSA-N 2 2 323.396 3.213 20 0 DGADLP COc1cc(C[N@@H+](Cc2cccc3[nH+]ccn32)C2CC2)ccc1O ZINC000191511582 432272453 /nfs/dbraw/zinc/27/24/53/432272453.db2.gz UVJHQOXJQIMHSO-UHFFFAOYSA-N 2 2 323.396 3.213 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000270695192 432276919 /nfs/dbraw/zinc/27/69/19/432276919.db2.gz YXHYQLVUVVLYQH-YOEHRIQHSA-N 2 2 301.459 3.370 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000270695192 432276921 /nfs/dbraw/zinc/27/69/21/432276921.db2.gz YXHYQLVUVVLYQH-YOEHRIQHSA-N 2 2 301.459 3.370 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191648967 432287559 /nfs/dbraw/zinc/28/75/59/432287559.db2.gz MNRXCYJNZGTTEX-UONOGXRCSA-N 2 2 310.869 3.317 20 0 DGADLP O[C@@H](C[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881645 432298208 /nfs/dbraw/zinc/29/82/08/432298208.db2.gz NNVVPQKWQPCZAO-MOPGFXCFSA-N 2 2 313.445 3.251 20 0 DGADLP O[C@@H](C[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881645 432298213 /nfs/dbraw/zinc/29/82/13/432298213.db2.gz NNVVPQKWQPCZAO-MOPGFXCFSA-N 2 2 313.445 3.251 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422569 431993732 /nfs/dbraw/zinc/99/37/32/431993732.db2.gz QFMXQBJRJISOJQ-YRGRVCCFSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422569 431993734 /nfs/dbraw/zinc/99/37/34/431993734.db2.gz QFMXQBJRJISOJQ-YRGRVCCFSA-N 2 2 305.447 3.221 20 0 DGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1OC ZINC000271056213 432323600 /nfs/dbraw/zinc/32/36/00/432323600.db2.gz ZRHDYICDAFSLIL-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP C[N@@H+](Cc1cc(-c2cccs2)on1)C[C@@H]1CCC[NH+](C)C1 ZINC000152377572 432329471 /nfs/dbraw/zinc/32/94/71/432329471.db2.gz WQNVSSHMUHTVEC-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1cc(-c2cccs2)on1)C[C@@H]1CCC[NH+](C)C1 ZINC000152377572 432329476 /nfs/dbraw/zinc/32/94/76/432329476.db2.gz WQNVSSHMUHTVEC-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cc(-c2cccs2)on1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152377572 432329480 /nfs/dbraw/zinc/32/94/80/432329480.db2.gz WQNVSSHMUHTVEC-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cc(-c2cccs2)on1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152377572 432329483 /nfs/dbraw/zinc/32/94/83/432329483.db2.gz WQNVSSHMUHTVEC-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271110931 432329810 /nfs/dbraw/zinc/32/98/10/432329810.db2.gz DGUFAPZPSYZNAV-OAHLLOKOSA-N 2 2 315.465 3.358 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271110931 432329814 /nfs/dbraw/zinc/32/98/14/432329814.db2.gz DGUFAPZPSYZNAV-OAHLLOKOSA-N 2 2 315.465 3.358 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271135230 432335415 /nfs/dbraw/zinc/33/54/15/432335415.db2.gz SCCCINAPVHQHNK-AWEZNQCLSA-N 2 2 308.385 3.043 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271135230 432335418 /nfs/dbraw/zinc/33/54/18/432335418.db2.gz SCCCINAPVHQHNK-AWEZNQCLSA-N 2 2 308.385 3.043 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cscn1 ZINC000271190980 432348221 /nfs/dbraw/zinc/34/82/21/432348221.db2.gz XNYJFBRZBAMQFB-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cscn1 ZINC000271190980 432348224 /nfs/dbraw/zinc/34/82/24/432348224.db2.gz XNYJFBRZBAMQFB-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271206678 432352903 /nfs/dbraw/zinc/35/29/03/432352903.db2.gz GKKPMAFSVVXXBC-XJKSGUPXSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271206678 432352906 /nfs/dbraw/zinc/35/29/06/432352906.db2.gz GKKPMAFSVVXXBC-XJKSGUPXSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000152742554 432353287 /nfs/dbraw/zinc/35/32/87/432353287.db2.gz HHWHJPYHLINCGK-ZDUSSCGKSA-N 2 2 317.408 3.260 20 0 DGADLP c1c(CC[NH2+][C@H](Cc2ccccc2)C2CC2)[nH+]c2n1CCCC2 ZINC000152739340 432353595 /nfs/dbraw/zinc/35/35/95/432353595.db2.gz GZZAUQAXCDBMCU-LJQANCHMSA-N 2 2 309.457 3.373 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900323 432306205 /nfs/dbraw/zinc/30/62/05/432306205.db2.gz RSQTYRCUWPATSP-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900323 432306208 /nfs/dbraw/zinc/30/62/08/432306208.db2.gz RSQTYRCUWPATSP-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900323 432306211 /nfs/dbraw/zinc/30/62/11/432306211.db2.gz RSQTYRCUWPATSP-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000173900323 432306216 /nfs/dbraw/zinc/30/62/16/432306216.db2.gz RSQTYRCUWPATSP-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838094 432308700 /nfs/dbraw/zinc/30/87/00/432308700.db2.gz OQLMBHYGOMAENF-RTBURBONSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838094 432308703 /nfs/dbraw/zinc/30/87/03/432308703.db2.gz OQLMBHYGOMAENF-RTBURBONSA-N 2 2 304.478 3.446 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951121 432310797 /nfs/dbraw/zinc/31/07/97/432310797.db2.gz ICQFQFXBTDMEQL-INIZCTEOSA-N 2 2 320.868 3.294 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951121 432310799 /nfs/dbraw/zinc/31/07/99/432310799.db2.gz ICQFQFXBTDMEQL-INIZCTEOSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951121 432310800 /nfs/dbraw/zinc/31/08/00/432310800.db2.gz ICQFQFXBTDMEQL-INIZCTEOSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951121 432310802 /nfs/dbraw/zinc/31/08/02/432310802.db2.gz ICQFQFXBTDMEQL-INIZCTEOSA-N 2 2 320.868 3.294 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183650321 432312846 /nfs/dbraw/zinc/31/28/46/432312846.db2.gz WDIWHMUFUJEWTQ-HUUCEWRRSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183650321 432312850 /nfs/dbraw/zinc/31/28/50/432312850.db2.gz WDIWHMUFUJEWTQ-HUUCEWRRSA-N 2 2 316.449 3.165 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C/C[N@@H+]1CCn2cccc2[C@H]1C ZINC000249723030 432354877 /nfs/dbraw/zinc/35/48/77/432354877.db2.gz NYPDRKMCZJZHOK-GVKUHWBJSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C/C[N@H+]1CCn2cccc2[C@H]1C ZINC000249723030 432354880 /nfs/dbraw/zinc/35/48/80/432354880.db2.gz NYPDRKMCZJZHOK-GVKUHWBJSA-N 2 2 324.472 3.299 20 0 DGADLP Cc1cccn2c(CNc3[nH+]c4cc(F)ccc4n3C)c[nH+]c12 ZINC000184256865 432373838 /nfs/dbraw/zinc/37/38/38/432373838.db2.gz BUTQCRCUPUJQKZ-UHFFFAOYSA-N 2 2 309.348 3.281 20 0 DGADLP C[C@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000251933283 432374173 /nfs/dbraw/zinc/37/41/73/432374173.db2.gz YXXXKXZHOXFODU-SMDDNHRTSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000251933283 432374176 /nfs/dbraw/zinc/37/41/76/432374176.db2.gz YXXXKXZHOXFODU-SMDDNHRTSA-N 2 2 305.809 3.164 20 0 DGADLP Cc1cncc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000184275656 432374871 /nfs/dbraw/zinc/37/48/71/432374871.db2.gz JEOPYEGUHSMEEC-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192482578 432380097 /nfs/dbraw/zinc/38/00/97/432380097.db2.gz QGZOYNKVAXJDOX-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192482578 432380100 /nfs/dbraw/zinc/38/01/00/432380100.db2.gz QGZOYNKVAXJDOX-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cnccc2C)cn1 ZINC000271389527 432386102 /nfs/dbraw/zinc/38/61/02/432386102.db2.gz JPWJXDPDLVBVRG-CQSZACIVSA-N 2 2 307.401 3.130 20 0 DGADLP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000153134829 432386753 /nfs/dbraw/zinc/38/67/53/432386753.db2.gz XIQNKWLZXYLDTH-LPHOPBHVSA-N 2 2 320.477 3.094 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000261619126 432434723 /nfs/dbraw/zinc/43/47/23/432434723.db2.gz UKVRNLCOHSJXLW-CQSZACIVSA-N 2 2 303.233 3.043 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000261619126 432434726 /nfs/dbraw/zinc/43/47/26/432434726.db2.gz UKVRNLCOHSJXLW-CQSZACIVSA-N 2 2 303.233 3.043 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@H]12 ZINC000261648224 432437157 /nfs/dbraw/zinc/43/71/57/432437157.db2.gz DALQMKPVALYFIX-DDTOSNHZSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@H]12 ZINC000261648224 432437162 /nfs/dbraw/zinc/43/71/62/432437162.db2.gz DALQMKPVALYFIX-DDTOSNHZSA-N 2 2 305.472 3.041 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000153746657 432439561 /nfs/dbraw/zinc/43/95/61/432439561.db2.gz WQTDFPJGOZNHTK-GFCCVEGCSA-N 2 2 302.821 3.098 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000153746657 432439563 /nfs/dbraw/zinc/43/95/63/432439563.db2.gz WQTDFPJGOZNHTK-GFCCVEGCSA-N 2 2 302.821 3.098 20 0 DGADLP c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261771786 432448732 /nfs/dbraw/zinc/44/87/32/432448732.db2.gz QWRVBUNBTSLOOQ-FGTMMUONSA-N 2 2 314.477 3.405 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261794853 432451267 /nfs/dbraw/zinc/45/12/67/432451267.db2.gz NSZFRQBQKQRJKG-INIZCTEOSA-N 2 2 318.852 3.264 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000272171586 432456888 /nfs/dbraw/zinc/45/68/88/432456888.db2.gz DJQLXXSOVKVWHY-QAPCUYQASA-N 2 2 310.445 3.395 20 0 DGADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000272181207 432458499 /nfs/dbraw/zinc/45/84/99/432458499.db2.gz FWGRRISDFOLZJA-HOCLYGCPSA-N 2 2 314.433 3.296 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)c1ccnn1C)c1ccccc1 ZINC000192862971 432424035 /nfs/dbraw/zinc/42/40/35/432424035.db2.gz YFHBYNJOOQCSBJ-CABCVRRESA-N 2 2 300.450 3.200 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000262084095 432472832 /nfs/dbraw/zinc/47/28/32/432472832.db2.gz UDHHJWSLTQEYEJ-HNNXBMFYSA-N 2 2 305.472 3.057 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000262084095 432472839 /nfs/dbraw/zinc/47/28/39/432472839.db2.gz UDHHJWSLTQEYEJ-HNNXBMFYSA-N 2 2 305.472 3.057 20 0 DGADLP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000154163520 432478289 /nfs/dbraw/zinc/47/82/89/432478289.db2.gz YLZHWRSXGKENKV-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000154163520 432478292 /nfs/dbraw/zinc/47/82/92/432478292.db2.gz YLZHWRSXGKENKV-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000154163520 432478294 /nfs/dbraw/zinc/47/82/94/432478294.db2.gz YLZHWRSXGKENKV-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000154163520 432478296 /nfs/dbraw/zinc/47/82/96/432478296.db2.gz YLZHWRSXGKENKV-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP COC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000193667206 432490348 /nfs/dbraw/zinc/49/03/48/432490348.db2.gz TWXSRHVSNZFZSZ-KRWDZBQOSA-N 2 2 310.869 3.493 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261929941 432462270 /nfs/dbraw/zinc/46/22/70/432462270.db2.gz STFSOALQIYRBHJ-QFBILLFUSA-N 2 2 310.441 3.133 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018656 432465483 /nfs/dbraw/zinc/46/54/83/432465483.db2.gz KIOZIFARNIGLSH-XIRDDKMYSA-N 2 2 309.523 3.061 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018656 432465488 /nfs/dbraw/zinc/46/54/88/432465488.db2.gz KIOZIFARNIGLSH-XIRDDKMYSA-N 2 2 309.523 3.061 20 0 DGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000185953257 432549046 /nfs/dbraw/zinc/54/90/46/432549046.db2.gz XKRCCOULGDIGEB-SNVBAGLBSA-N 2 2 318.368 3.489 20 0 DGADLP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272506660 432514277 /nfs/dbraw/zinc/51/42/77/432514277.db2.gz FITDJGOZKLUIHM-INIZCTEOSA-N 3 2 312.461 3.255 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000154748636 432517849 /nfs/dbraw/zinc/51/78/49/432517849.db2.gz DGQWHRIHFPUXQS-ZMSDIMECSA-N 2 2 305.466 3.079 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000154748636 432517854 /nfs/dbraw/zinc/51/78/54/432517854.db2.gz DGQWHRIHFPUXQS-ZMSDIMECSA-N 2 2 305.466 3.079 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000185748269 432531041 /nfs/dbraw/zinc/53/10/41/432531041.db2.gz OHKRMQCFBKJXJF-CJNGLKHVSA-N 2 2 315.436 3.075 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000185748269 432531043 /nfs/dbraw/zinc/53/10/43/432531043.db2.gz OHKRMQCFBKJXJF-CJNGLKHVSA-N 2 2 315.436 3.075 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000194274153 432536560 /nfs/dbraw/zinc/53/65/60/432536560.db2.gz YLNCWDYEYYLUPM-LJQANCHMSA-N 2 2 310.445 3.219 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CCO)c3ccco3)CC2)C1 ZINC000186545512 432605294 /nfs/dbraw/zinc/60/52/94/432605294.db2.gz QZBJZELAMTWWRN-NXHRZFHOSA-N 2 2 320.477 3.336 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)cn2)c[nH+]1 ZINC000177292431 432608851 /nfs/dbraw/zinc/60/88/51/432608851.db2.gz DHHUSXLKOCTJSY-SFHVURJKSA-N 2 2 318.424 3.332 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)cn2)c[nH+]1 ZINC000177292431 432608855 /nfs/dbraw/zinc/60/88/55/432608855.db2.gz DHHUSXLKOCTJSY-SFHVURJKSA-N 2 2 318.424 3.332 20 0 DGADLP C[C@H](c1cccc(Nc2[nH+]cnc3[nH]ccc32)c1)[NH+]1CCOCC1 ZINC000264054741 432609188 /nfs/dbraw/zinc/60/91/88/432609188.db2.gz CISGBVGWJJYUGR-CYBMUJFWSA-N 2 2 323.400 3.095 20 0 DGADLP C[C@@H](c1cccc(Nc2[nH+]cnc3[nH]ccc32)c1)[NH+]1CCOCC1 ZINC000264054742 432610015 /nfs/dbraw/zinc/61/00/15/432610015.db2.gz CISGBVGWJJYUGR-ZDUSSCGKSA-N 2 2 323.400 3.095 20 0 DGADLP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000155692664 432567175 /nfs/dbraw/zinc/56/71/75/432567175.db2.gz JGZWBAMUVFOELH-RBUKOAKNSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000155692664 432567179 /nfs/dbraw/zinc/56/71/79/432567179.db2.gz JGZWBAMUVFOELH-RBUKOAKNSA-N 2 2 316.489 3.228 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000194896759 432585764 /nfs/dbraw/zinc/58/57/64/432585764.db2.gz QJKWXGAFSSQHOE-GJZGRUSLSA-N 2 2 308.491 3.027 20 0 DGADLP COc1ccccc1C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177119259 432587850 /nfs/dbraw/zinc/58/78/50/432587850.db2.gz PBSGMVPVGIQNNE-UHFFFAOYSA-N 2 2 322.412 3.301 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@@H+]1C1CC1 ZINC000186396919 432591522 /nfs/dbraw/zinc/59/15/22/432591522.db2.gz UMQONUUTYKARMM-BBRMVZONSA-N 2 2 316.445 3.047 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C[N@H+]1C1CC1 ZINC000186396919 432591525 /nfs/dbraw/zinc/59/15/25/432591525.db2.gz UMQONUUTYKARMM-BBRMVZONSA-N 2 2 316.445 3.047 20 0 DGADLP C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157878520 432633236 /nfs/dbraw/zinc/63/32/36/432633236.db2.gz JELIKIRXDJSUEU-FNHZYXHNSA-N 2 2 311.429 3.481 20 0 DGADLP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000274337344 432654546 /nfs/dbraw/zinc/65/45/46/432654546.db2.gz ABCFXJVSNZLDSP-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691325 432655860 /nfs/dbraw/zinc/65/58/60/432655860.db2.gz BFGZBMHTBAJWHO-KBPBESRZSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691325 432655864 /nfs/dbraw/zinc/65/58/64/432655864.db2.gz BFGZBMHTBAJWHO-KBPBESRZSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691325 432655868 /nfs/dbraw/zinc/65/58/68/432655868.db2.gz BFGZBMHTBAJWHO-KBPBESRZSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)CC[C@@H]21 ZINC000158691325 432655872 /nfs/dbraw/zinc/65/58/72/432655872.db2.gz BFGZBMHTBAJWHO-KBPBESRZSA-N 2 2 317.458 3.319 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1F ZINC000187344832 432659601 /nfs/dbraw/zinc/65/96/01/432659601.db2.gz DRDMLVWBZXRRRY-ZIAGYGMSSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1F ZINC000187344832 432659603 /nfs/dbraw/zinc/65/96/03/432659603.db2.gz DRDMLVWBZXRRRY-ZIAGYGMSSA-N 2 2 308.441 3.085 20 0 DGADLP Fc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000274383181 432660119 /nfs/dbraw/zinc/66/01/19/432660119.db2.gz TWRDXXALFYRYOK-INIZCTEOSA-N 2 2 305.441 3.309 20 0 DGADLP Fc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000274383181 432660123 /nfs/dbraw/zinc/66/01/23/432660123.db2.gz TWRDXXALFYRYOK-INIZCTEOSA-N 2 2 305.441 3.309 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000274388793 432661196 /nfs/dbraw/zinc/66/11/96/432661196.db2.gz VCWXCJIRSKHFLD-FPAYPSAMSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000274388793 432661201 /nfs/dbraw/zinc/66/12/01/432661201.db2.gz VCWXCJIRSKHFLD-FPAYPSAMSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577473 432664002 /nfs/dbraw/zinc/66/40/02/432664002.db2.gz WUDHVXHFEGYXDD-FZMZJTMJSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577473 432664004 /nfs/dbraw/zinc/66/40/04/432664004.db2.gz WUDHVXHFEGYXDD-FZMZJTMJSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1Cl ZINC000158975155 432664963 /nfs/dbraw/zinc/66/49/63/432664963.db2.gz GDYWHJSJMNXSSF-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1Cl ZINC000158975155 432664966 /nfs/dbraw/zinc/66/49/66/432664966.db2.gz GDYWHJSJMNXSSF-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274814584 432711354 /nfs/dbraw/zinc/71/13/54/432711354.db2.gz WCEJWIINIXEPTP-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000274814584 432711356 /nfs/dbraw/zinc/71/13/56/432711356.db2.gz WCEJWIINIXEPTP-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178263716 432713392 /nfs/dbraw/zinc/71/33/92/432713392.db2.gz XSSYQWDEBAKERO-MAUKXSAKSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178263716 432713396 /nfs/dbraw/zinc/71/33/96/432713396.db2.gz XSSYQWDEBAKERO-MAUKXSAKSA-N 2 2 312.461 3.044 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319445 432679939 /nfs/dbraw/zinc/67/99/39/432679939.db2.gz JQFDBUFAWSZZIQ-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319445 432679942 /nfs/dbraw/zinc/67/99/42/432679942.db2.gz JQFDBUFAWSZZIQ-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP CC(C)C[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000187743831 432681657 /nfs/dbraw/zinc/68/16/57/432681657.db2.gz ORBILSALNLJYMA-GOSISDBHSA-N 2 2 312.461 3.209 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)nc(C2CC2)[nH+]1 ZINC000265330267 432690411 /nfs/dbraw/zinc/69/04/11/432690411.db2.gz GHJCHQXLOFDLMI-KRWDZBQOSA-N 2 2 308.429 3.156 20 0 DGADLP Cc1cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)nc(C2CC2)[nH+]1 ZINC000265330267 432690415 /nfs/dbraw/zinc/69/04/15/432690415.db2.gz GHJCHQXLOFDLMI-KRWDZBQOSA-N 2 2 308.429 3.156 20 0 DGADLP CCc1[nH+]ccn1CC(=O)c1ccc(Cn2cc[nH+]c2CC)cc1 ZINC000189114693 432764490 /nfs/dbraw/zinc/76/44/90/432764490.db2.gz JPDDAIDAVHWQRQ-UHFFFAOYSA-N 2 2 322.412 3.136 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000237254185 432781397 /nfs/dbraw/zinc/78/13/97/432781397.db2.gz SACILTWTNFIEQS-KRWDZBQOSA-N 2 2 304.478 3.482 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000237254156 432781631 /nfs/dbraw/zinc/78/16/31/432781631.db2.gz UNCWXZSRHSMWAT-KRWDZBQOSA-N 2 2 304.478 3.338 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296298 432730642 /nfs/dbraw/zinc/73/06/42/432730642.db2.gz BDWWFFPZHHBWOF-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296298 432730646 /nfs/dbraw/zinc/73/06/46/432730646.db2.gz BDWWFFPZHHBWOF-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296298 432730651 /nfs/dbraw/zinc/73/06/51/432730651.db2.gz BDWWFFPZHHBWOF-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3Cl)CC[C@@H]21 ZINC000231296298 432730652 /nfs/dbraw/zinc/73/06/52/432730652.db2.gz BDWWFFPZHHBWOF-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000178462804 432739839 /nfs/dbraw/zinc/73/98/39/432739839.db2.gz XLKCBKLGZDVRHF-MRXNPFEDSA-N 2 2 318.465 3.188 20 0 DGADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000178462804 432739841 /nfs/dbraw/zinc/73/98/41/432739841.db2.gz XLKCBKLGZDVRHF-MRXNPFEDSA-N 2 2 318.465 3.188 20 0 DGADLP Cc1ccc(Cc2noc([C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n2)c[nH+]1 ZINC000276852920 432826879 /nfs/dbraw/zinc/82/68/79/432826879.db2.gz BIVDVVWWYRJKSK-MJBXVCDLSA-N 2 2 300.406 3.298 20 0 DGADLP Cc1ccc(Cc2noc([C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c[nH+]1 ZINC000276852920 432826881 /nfs/dbraw/zinc/82/68/81/432826881.db2.gz BIVDVVWWYRJKSK-MJBXVCDLSA-N 2 2 300.406 3.298 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000162744429 432833934 /nfs/dbraw/zinc/83/39/34/432833934.db2.gz QZOGZTNIWJUTMM-OAHLLOKOSA-N 2 2 312.461 3.266 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000162744429 432833936 /nfs/dbraw/zinc/83/39/36/432833936.db2.gz QZOGZTNIWJUTMM-OAHLLOKOSA-N 2 2 312.461 3.266 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000276295230 432793491 /nfs/dbraw/zinc/79/34/91/432793491.db2.gz ISNVIUPGFZQWFI-SFHVURJKSA-N 2 2 314.477 3.442 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000276295230 432793495 /nfs/dbraw/zinc/79/34/95/432793495.db2.gz ISNVIUPGFZQWFI-SFHVURJKSA-N 2 2 314.477 3.442 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000161813354 432799035 /nfs/dbraw/zinc/79/90/35/432799035.db2.gz NZGOPFZDBKAEKC-WMLDXEAASA-N 2 2 311.473 3.488 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000161813354 432799039 /nfs/dbraw/zinc/79/90/39/432799039.db2.gz NZGOPFZDBKAEKC-WMLDXEAASA-N 2 2 311.473 3.488 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(F)cccc2Cl)CCCO1 ZINC000277888027 432877194 /nfs/dbraw/zinc/87/71/94/432877194.db2.gz OHZJZLGBUYBVLD-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(F)cccc2Cl)CCCO1 ZINC000277888027 432877196 /nfs/dbraw/zinc/87/71/96/432877196.db2.gz OHZJZLGBUYBVLD-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP CC(C)[C@H](Cn1cccn1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000296182664 432881662 /nfs/dbraw/zinc/88/16/62/432881662.db2.gz YDQGGMTTZWUSQB-KRWDZBQOSA-N 2 2 311.433 3.006 20 0 DGADLP Cc1cnc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)s1 ZINC000296305370 432894080 /nfs/dbraw/zinc/89/40/80/432894080.db2.gz GJCPAWWXOJZQJZ-UHFFFAOYSA-N 2 2 316.405 3.375 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC000163240535 432847361 /nfs/dbraw/zinc/84/73/61/432847361.db2.gz RTQQRIKIWJJCCW-BQFCYCMXSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC000163240535 432847363 /nfs/dbraw/zinc/84/73/63/432847363.db2.gz RTQQRIKIWJJCCW-BQFCYCMXSA-N 2 2 310.445 3.180 20 0 DGADLP CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000163283379 432847424 /nfs/dbraw/zinc/84/74/24/432847424.db2.gz ATULRLQOOSVMPE-NFAWXSAZSA-N 2 2 320.462 3.130 20 0 DGADLP CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000163283379 432847425 /nfs/dbraw/zinc/84/74/25/432847425.db2.gz ATULRLQOOSVMPE-NFAWXSAZSA-N 2 2 320.462 3.130 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC000277540363 432858871 /nfs/dbraw/zinc/85/88/71/432858871.db2.gz ZGBCTVUFPNOZKL-KBPBESRZSA-N 2 2 324.432 3.355 20 0 DGADLP Cc1cccn2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c[nH+]c12 ZINC000245730459 432858937 /nfs/dbraw/zinc/85/89/37/432858937.db2.gz FDSLARIPUSMABM-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c[nH+]c12 ZINC000245730459 432858939 /nfs/dbraw/zinc/85/89/39/432858939.db2.gz FDSLARIPUSMABM-QFBILLFUSA-N 2 2 324.472 3.091 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279143028 432939734 /nfs/dbraw/zinc/93/97/34/432939734.db2.gz ZLKWITNIOLQVDB-SFHVURJKSA-N 2 2 323.396 3.439 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279143028 432939737 /nfs/dbraw/zinc/93/97/37/432939737.db2.gz ZLKWITNIOLQVDB-SFHVURJKSA-N 2 2 323.396 3.439 20 0 DGADLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CCOCC2)cc1 ZINC000279215892 432946174 /nfs/dbraw/zinc/94/61/74/432946174.db2.gz HLWZIAJTPNASEQ-UHFFFAOYSA-N 2 2 317.408 3.094 20 0 DGADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCOCC2)cc1 ZINC000279215892 432946178 /nfs/dbraw/zinc/94/61/78/432946178.db2.gz HLWZIAJTPNASEQ-UHFFFAOYSA-N 2 2 317.408 3.094 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278566186 432896504 /nfs/dbraw/zinc/89/65/04/432896504.db2.gz WWJDZTSACHZNMQ-SJLPKXTDSA-N 2 2 304.503 3.475 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000278789491 432900748 /nfs/dbraw/zinc/90/07/48/432900748.db2.gz OAOVYZDMUVIRBB-CQSZACIVSA-N 2 2 301.356 3.017 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000278789491 432900750 /nfs/dbraw/zinc/90/07/50/432900750.db2.gz OAOVYZDMUVIRBB-CQSZACIVSA-N 2 2 301.356 3.017 20 0 DGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000296460726 432911250 /nfs/dbraw/zinc/91/12/50/432911250.db2.gz OSUHONYFZSAFEQ-GPMSIDNRSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279532653 432979080 /nfs/dbraw/zinc/97/90/80/432979080.db2.gz CCYDYZRPYUAIGK-MRXNPFEDSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279532653 432979084 /nfs/dbraw/zinc/97/90/84/432979084.db2.gz CCYDYZRPYUAIGK-MRXNPFEDSA-N 2 2 321.428 3.283 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000297239775 432979236 /nfs/dbraw/zinc/97/92/36/432979236.db2.gz ILOVMAPUMBMYGW-KBPBESRZSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000297239775 432979237 /nfs/dbraw/zinc/97/92/37/432979237.db2.gz ILOVMAPUMBMYGW-KBPBESRZSA-N 3 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@@H+]1C ZINC000297239775 432979241 /nfs/dbraw/zinc/97/92/41/432979241.db2.gz ILOVMAPUMBMYGW-KBPBESRZSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239775 432979245 /nfs/dbraw/zinc/97/92/45/432979245.db2.gz ILOVMAPUMBMYGW-KBPBESRZSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000297265944 432984664 /nfs/dbraw/zinc/98/46/64/432984664.db2.gz KKGJAWGJJRBEMU-GJYPPUQNSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000297265944 432984667 /nfs/dbraw/zinc/98/46/67/432984667.db2.gz KKGJAWGJJRBEMU-GJYPPUQNSA-N 2 2 302.462 3.061 20 0 DGADLP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)OC ZINC000290082077 432989040 /nfs/dbraw/zinc/98/90/40/432989040.db2.gz GUVPBFRLINBGDY-MRXNPFEDSA-N 2 2 310.869 3.319 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000279347274 432957580 /nfs/dbraw/zinc/95/75/80/432957580.db2.gz VGPSDYVHPZXZAQ-AWEZNQCLSA-N 2 2 317.458 3.257 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000279347274 432957583 /nfs/dbraw/zinc/95/75/83/432957583.db2.gz VGPSDYVHPZXZAQ-AWEZNQCLSA-N 2 2 317.458 3.257 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000290209253 433013554 /nfs/dbraw/zinc/01/35/54/433013554.db2.gz HDECTAAHXOVDFF-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000290209253 433013558 /nfs/dbraw/zinc/01/35/58/433013558.db2.gz HDECTAAHXOVDFF-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1cc([C@](C)(O)C[NH2+]CCCc2c[nH+]ccc2C)c(C)o1 ZINC000290229143 433016670 /nfs/dbraw/zinc/01/66/70/433016670.db2.gz FSJITRQWWOIVGN-GOSISDBHSA-N 2 2 302.418 3.030 20 0 DGADLP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccon1 ZINC000349829162 433017675 /nfs/dbraw/zinc/01/76/75/433017675.db2.gz BYVMJQVJEWZJQS-ZIAGYGMSSA-N 2 2 303.406 3.027 20 0 DGADLP Cc1c[nH+]c(CNc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1C ZINC000341295628 433019486 /nfs/dbraw/zinc/01/94/86/433019486.db2.gz YGBYSFDIVIVRBC-CQSZACIVSA-N 2 2 313.449 3.423 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250256 433020020 /nfs/dbraw/zinc/02/00/20/433020020.db2.gz UENNFNDQIBBYMU-WSTZPKSXSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290250256 433020023 /nfs/dbraw/zinc/02/00/23/433020023.db2.gz UENNFNDQIBBYMU-WSTZPKSXSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290250256 433020030 /nfs/dbraw/zinc/02/00/30/433020030.db2.gz UENNFNDQIBBYMU-WSTZPKSXSA-N 3 2 317.521 3.215 20 0 DGADLP c1cn([C@@H]2CCc3ccccc3[C@H]2[NH2+]Cc2ccncc2)c[nH+]1 ZINC000290304281 433028726 /nfs/dbraw/zinc/02/87/26/433028726.db2.gz BODGMCUKBDOAQV-RTBURBONSA-N 2 2 304.397 3.297 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CC2 ZINC000297936160 433033801 /nfs/dbraw/zinc/03/38/01/433033801.db2.gz XVUQIVVKAPDGNO-IBGZPJMESA-N 2 2 324.472 3.494 20 0 DGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1OC ZINC000297980988 433038416 /nfs/dbraw/zinc/03/84/16/433038416.db2.gz XZIQTEUMXOAREZ-HNNXBMFYSA-N 2 2 301.434 3.444 20 0 DGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1OC ZINC000297980988 433038419 /nfs/dbraw/zinc/03/84/19/433038419.db2.gz XZIQTEUMXOAREZ-HNNXBMFYSA-N 2 2 301.434 3.444 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000290434505 433052707 /nfs/dbraw/zinc/05/27/07/433052707.db2.gz RWCCTEGULOIGDK-KURKYZTESA-N 2 2 300.446 3.260 20 0 DGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(Cl)c1OC ZINC000290471532 433059946 /nfs/dbraw/zinc/05/99/46/433059946.db2.gz NORBFFIGLBZFPN-UHFFFAOYSA-N 2 2 323.824 3.076 20 0 DGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(Cl)c1OC ZINC000290471532 433059951 /nfs/dbraw/zinc/05/99/51/433059951.db2.gz NORBFFIGLBZFPN-UHFFFAOYSA-N 2 2 323.824 3.076 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000156185623 292725628 /nfs/dbraw/zinc/72/56/28/292725628.db2.gz HXTSHHNBHFJLRB-UXHICEINSA-N 2 2 312.457 3.137 20 0 DGADLP COCc1cc(N2CCC[C@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000290503943 433071709 /nfs/dbraw/zinc/07/17/09/433071709.db2.gz DQGZHKIEZGHXGC-HNNXBMFYSA-N 2 2 317.408 3.051 20 0 DGADLP c1cc(OC2CCCC2)ncc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298261704 433074352 /nfs/dbraw/zinc/07/43/52/433074352.db2.gz FRRRTGUVQITKPQ-UHFFFAOYSA-N 2 2 315.461 3.119 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361286483 433081454 /nfs/dbraw/zinc/08/14/54/433081454.db2.gz DEADFEDFFSCFSH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361286483 433081460 /nfs/dbraw/zinc/08/14/60/433081460.db2.gz DEADFEDFFSCFSH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361286483 433081472 /nfs/dbraw/zinc/08/14/72/433081472.db2.gz DEADFEDFFSCFSH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361286483 433081481 /nfs/dbraw/zinc/08/14/81/433081481.db2.gz DEADFEDFFSCFSH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341504053 433097258 /nfs/dbraw/zinc/09/72/58/433097258.db2.gz QKJUQIHVEMLLGQ-DLBZAZTESA-N 2 2 301.478 3.462 20 0 DGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446755067 433098224 /nfs/dbraw/zinc/09/82/24/433098224.db2.gz RYOPVCHNSALANB-DAYGRLMNSA-N 2 2 308.441 3.366 20 0 DGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000446755067 433098235 /nfs/dbraw/zinc/09/82/35/433098235.db2.gz RYOPVCHNSALANB-DAYGRLMNSA-N 2 2 308.441 3.366 20 0 DGADLP CC(=O)N1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)c2ccccc21 ZINC000354540402 433140558 /nfs/dbraw/zinc/14/05/58/433140558.db2.gz KGIREBPCDDKQIU-LJQANCHMSA-N 2 2 323.440 3.410 20 0 DGADLP CCC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1nnc2ccccn21 ZINC000354544133 433142140 /nfs/dbraw/zinc/14/21/40/433142140.db2.gz GLZPPZYTUWHHNR-KRWDZBQOSA-N 2 2 323.444 3.496 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000453393861 433149205 /nfs/dbraw/zinc/14/92/05/433149205.db2.gz GNXMQFKQQFYWKV-PKOBYXMFSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000453393861 433149214 /nfs/dbraw/zinc/14/92/14/433149214.db2.gz GNXMQFKQQFYWKV-PKOBYXMFSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393861 433149224 /nfs/dbraw/zinc/14/92/24/433149224.db2.gz GNXMQFKQQFYWKV-PKOBYXMFSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393861 433149234 /nfs/dbraw/zinc/14/92/34/433149234.db2.gz GNXMQFKQQFYWKV-PKOBYXMFSA-N 3 2 315.505 3.113 20 0 DGADLP CCc1cnc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000447073133 433151631 /nfs/dbraw/zinc/15/16/31/433151631.db2.gz RNXCTHXLAIVNRB-UHFFFAOYSA-N 2 2 317.458 3.452 20 0 DGADLP CCC[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000446753341 433101009 /nfs/dbraw/zinc/10/10/09/433101009.db2.gz SFLYTXDHSFZZNR-KRWDZBQOSA-N 2 2 316.424 3.102 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420308314 433153621 /nfs/dbraw/zinc/15/36/21/433153621.db2.gz CXEZNHBEVWDMME-INIZCTEOSA-N 2 2 318.852 3.229 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420308314 433153633 /nfs/dbraw/zinc/15/36/33/433153633.db2.gz CXEZNHBEVWDMME-INIZCTEOSA-N 2 2 318.852 3.229 20 0 DGADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453347775 433107122 /nfs/dbraw/zinc/10/71/22/433107122.db2.gz FWTCRQKORNYULP-VQIMIIECSA-N 2 2 311.429 3.436 20 0 DGADLP C[C@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453347775 433107134 /nfs/dbraw/zinc/10/71/34/433107134.db2.gz FWTCRQKORNYULP-VQIMIIECSA-N 2 2 311.429 3.436 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC34CCC4)sc2C1 ZINC000446829343 433109217 /nfs/dbraw/zinc/10/92/17/433109217.db2.gz GRFXNWAYSUSZCG-UHFFFAOYSA-N 2 2 305.491 3.428 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC34CCC4)sc2C1 ZINC000446829343 433109228 /nfs/dbraw/zinc/10/92/28/433109228.db2.gz GRFXNWAYSUSZCG-UHFFFAOYSA-N 2 2 305.491 3.428 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC34CCC4)sc2C1 ZINC000446829343 433109239 /nfs/dbraw/zinc/10/92/39/433109239.db2.gz GRFXNWAYSUSZCG-UHFFFAOYSA-N 2 2 305.491 3.428 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC34CCC4)sc2C1 ZINC000446829343 433109246 /nfs/dbraw/zinc/10/92/46/433109246.db2.gz GRFXNWAYSUSZCG-UHFFFAOYSA-N 2 2 305.491 3.428 20 0 DGADLP Cc1ccc([C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000341523069 433113143 /nfs/dbraw/zinc/11/31/43/433113143.db2.gz WGAQUQUQPLVXHV-QGZVFWFLSA-N 2 2 310.445 3.686 20 0 DGADLP COCC[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccc(C)o1 ZINC000350247507 433116322 /nfs/dbraw/zinc/11/63/22/433116322.db2.gz KYDXYXJEONPVRZ-INIZCTEOSA-N 2 2 313.401 3.412 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000361492355 433207635 /nfs/dbraw/zinc/20/76/35/433207635.db2.gz GZKLCEAKRCUMFC-UHFFFAOYSA-N 2 2 315.255 3.347 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC000361492355 433207644 /nfs/dbraw/zinc/20/76/44/433207644.db2.gz GZKLCEAKRCUMFC-UHFFFAOYSA-N 2 2 315.255 3.347 20 0 DGADLP FC1(F)CC(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000453401314 433158733 /nfs/dbraw/zinc/15/87/33/433158733.db2.gz BVLHJQUVBPYTLY-UHFFFAOYSA-N 2 2 309.404 3.071 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)n1C ZINC000425324266 433163830 /nfs/dbraw/zinc/16/38/30/433163830.db2.gz KFBJWDBYLVUFQN-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)n1C ZINC000425324266 433163837 /nfs/dbraw/zinc/16/38/37/433163837.db2.gz KFBJWDBYLVUFQN-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP CC[N@H+](Cc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000420321311 433166538 /nfs/dbraw/zinc/16/65/38/433166538.db2.gz ZWVKCIUHYGTZPU-GFCCVEGCSA-N 2 2 302.249 3.352 20 0 DGADLP CC[N@@H+](Cc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000420321311 433166546 /nfs/dbraw/zinc/16/65/46/433166546.db2.gz ZWVKCIUHYGTZPU-GFCCVEGCSA-N 2 2 302.249 3.352 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@H]1C ZINC000447177295 433170721 /nfs/dbraw/zinc/17/07/21/433170721.db2.gz NCEXOHJCIIIENU-HIFRSBDPSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@H]1C ZINC000447177295 433170726 /nfs/dbraw/zinc/17/07/26/433170726.db2.gz NCEXOHJCIIIENU-HIFRSBDPSA-N 2 2 304.438 3.035 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)[C@H](C[NH3+])C1 ZINC000420338003 433171231 /nfs/dbraw/zinc/17/12/31/433171231.db2.gz NHYRABJXNUDTJN-RDJZCZTQSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@H](C[NH3+])C1 ZINC000420338003 433171235 /nfs/dbraw/zinc/17/12/35/433171235.db2.gz NHYRABJXNUDTJN-RDJZCZTQSA-N 2 2 311.429 3.433 20 0 DGADLP c1ccc(C(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2)cc1 ZINC000420338218 433172598 /nfs/dbraw/zinc/17/25/98/433172598.db2.gz KKMGPXZIHAUHHB-UXHICEINSA-N 2 2 322.452 3.086 20 0 DGADLP c1ccc(C(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2)cc1 ZINC000420338218 433172609 /nfs/dbraw/zinc/17/26/09/433172609.db2.gz KKMGPXZIHAUHHB-UXHICEINSA-N 2 2 322.452 3.086 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420360926 433175313 /nfs/dbraw/zinc/17/53/13/433175313.db2.gz HPEIEKNBXQYVBH-BWACUDIHSA-N 2 2 319.836 3.471 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420363605 433183947 /nfs/dbraw/zinc/18/39/47/433183947.db2.gz OCTAFKHNJBQYFX-SFHVURJKSA-N 2 2 313.445 3.124 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336723876 433186264 /nfs/dbraw/zinc/18/62/64/433186264.db2.gz WSZJKEUPUTWFIQ-IFXJQAMLSA-N 2 2 314.404 3.284 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000336723876 433186276 /nfs/dbraw/zinc/18/62/76/433186276.db2.gz WSZJKEUPUTWFIQ-IFXJQAMLSA-N 2 2 314.404 3.284 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000336716918 433187437 /nfs/dbraw/zinc/18/74/37/433187437.db2.gz QJWOGFIHUFUTOY-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000336716918 433187444 /nfs/dbraw/zinc/18/74/44/433187444.db2.gz QJWOGFIHUFUTOY-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000453439688 433187743 /nfs/dbraw/zinc/18/77/43/433187743.db2.gz VWYCJSDJPAYSSC-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000453439688 433187750 /nfs/dbraw/zinc/18/77/50/433187750.db2.gz VWYCJSDJPAYSSC-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000420378135 433188695 /nfs/dbraw/zinc/18/86/95/433188695.db2.gz WUEUXKCYNFQGNZ-WQGACYEGSA-N 2 2 303.837 3.364 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387989 433190789 /nfs/dbraw/zinc/19/07/89/433190789.db2.gz GTCWANIIZZKOBV-CZUORRHYSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387989 433190793 /nfs/dbraw/zinc/19/07/93/433190793.db2.gz GTCWANIIZZKOBV-CZUORRHYSA-N 2 2 308.853 3.313 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1c1ccccc1F ZINC000420392547 433195880 /nfs/dbraw/zinc/19/58/80/433195880.db2.gz VGOKNDFCEKAEFO-DOTOQJQBSA-N 2 2 304.434 3.247 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1c1ccccc1F ZINC000420392547 433195890 /nfs/dbraw/zinc/19/58/90/433195890.db2.gz VGOKNDFCEKAEFO-DOTOQJQBSA-N 2 2 304.434 3.247 20 0 DGADLP C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@H]1[NH3+] ZINC000420392777 433196922 /nfs/dbraw/zinc/19/69/22/433196922.db2.gz ZYMLYMLAGPYJLD-VQIMIIECSA-N 2 2 310.441 3.072 20 0 DGADLP C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@H]1[NH3+] ZINC000420392777 433196928 /nfs/dbraw/zinc/19/69/28/433196928.db2.gz ZYMLYMLAGPYJLD-VQIMIIECSA-N 2 2 310.441 3.072 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C[NH3+] ZINC000420422780 433201584 /nfs/dbraw/zinc/20/15/84/433201584.db2.gz ZPKMTGGEHKODTJ-STQMWFEESA-N 2 2 319.449 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@@H]1C[NH3+] ZINC000420422780 433201596 /nfs/dbraw/zinc/20/15/96/433201596.db2.gz ZPKMTGGEHKODTJ-STQMWFEESA-N 2 2 319.449 3.366 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425369346 433205316 /nfs/dbraw/zinc/20/53/16/433205316.db2.gz LUAYHLXGPYTKLB-KRWDZBQOSA-N 2 2 316.424 3.271 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425369346 433205329 /nfs/dbraw/zinc/20/53/29/433205329.db2.gz LUAYHLXGPYTKLB-KRWDZBQOSA-N 2 2 316.424 3.271 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)[nH+]1 ZINC000425374836 433211762 /nfs/dbraw/zinc/21/17/62/433211762.db2.gz SSYRUQMJOIGDBF-GOSISDBHSA-N 2 2 311.429 3.115 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)[nH+]1 ZINC000425374836 433211770 /nfs/dbraw/zinc/21/17/70/433211770.db2.gz SSYRUQMJOIGDBF-GOSISDBHSA-N 2 2 311.429 3.115 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000453582286 433215762 /nfs/dbraw/zinc/21/57/62/433215762.db2.gz MAFKLWAFZPLHBQ-VIFPVBQESA-N 2 2 314.252 3.194 20 0 DGADLP Cc1ccc(C[C@@H](CO)[NH2+]CCCc2c[nH+]ccc2C)cc1C ZINC000453636340 433255500 /nfs/dbraw/zinc/25/55/00/433255500.db2.gz UESPUHBRYOKUPT-FQEVSTJZSA-N 2 2 312.457 3.133 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425483867 433260477 /nfs/dbraw/zinc/26/04/77/433260477.db2.gz VGUKREUZZXXODR-MRXNPFEDSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425483867 433260482 /nfs/dbraw/zinc/26/04/82/433260482.db2.gz VGUKREUZZXXODR-MRXNPFEDSA-N 2 2 321.465 3.168 20 0 DGADLP O[C@@H]1C[C@H](C[NH2+]CCC2CCCCC2)[N@H+](Cc2ccccc2)C1 ZINC000361587802 433266520 /nfs/dbraw/zinc/26/65/20/433266520.db2.gz WWWZCTRRPKVJGG-WOJBJXKFSA-N 2 2 316.489 3.182 20 0 DGADLP O[C@@H]1C[C@H](C[NH2+]CCC2CCCCC2)[N@@H+](Cc2ccccc2)C1 ZINC000361587802 433266529 /nfs/dbraw/zinc/26/65/29/433266529.db2.gz WWWZCTRRPKVJGG-WOJBJXKFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000425510261 433275074 /nfs/dbraw/zinc/27/50/74/433275074.db2.gz BHRSNMNMGNDUIP-IAGOWNOFSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000425510261 433275083 /nfs/dbraw/zinc/27/50/83/433275083.db2.gz BHRSNMNMGNDUIP-IAGOWNOFSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H](C1CC1)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420901858 433302967 /nfs/dbraw/zinc/30/29/67/433302967.db2.gz LEXSLTGZXDELMP-MRXNPFEDSA-N 2 2 314.473 3.282 20 0 DGADLP C[C@H](C1CC1)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420901858 433302974 /nfs/dbraw/zinc/30/29/74/433302974.db2.gz LEXSLTGZXDELMP-MRXNPFEDSA-N 2 2 314.473 3.282 20 0 DGADLP C[N@H+](Cc1cccs1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905435 433303697 /nfs/dbraw/zinc/30/36/97/433303697.db2.gz QUQQTMMAVHHMKD-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP C[N@@H+](Cc1cccs1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905435 433303704 /nfs/dbraw/zinc/30/37/04/433303704.db2.gz QUQQTMMAVHHMKD-UHFFFAOYSA-N 2 2 316.470 3.212 20 0 DGADLP C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900884 433305188 /nfs/dbraw/zinc/30/51/88/433305188.db2.gz IXTVPIKTRPYFER-INIZCTEOSA-N 2 2 314.429 3.305 20 0 DGADLP C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900884 433305197 /nfs/dbraw/zinc/30/51/97/433305197.db2.gz IXTVPIKTRPYFER-INIZCTEOSA-N 2 2 314.429 3.305 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899254 433345577 /nfs/dbraw/zinc/34/55/77/433345577.db2.gz GQCSOXCMCIDFTC-VQTJNVASSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899254 433345586 /nfs/dbraw/zinc/34/55/86/433345586.db2.gz GQCSOXCMCIDFTC-VQTJNVASSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899254 433345593 /nfs/dbraw/zinc/34/55/93/433345593.db2.gz GQCSOXCMCIDFTC-VQTJNVASSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899254 433345603 /nfs/dbraw/zinc/34/56/03/433345603.db2.gz GQCSOXCMCIDFTC-VQTJNVASSA-N 2 2 314.473 3.009 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414056597 433365135 /nfs/dbraw/zinc/36/51/35/433365135.db2.gz DPIPZTRHRBTLCT-HNNXBMFYSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc2n(n1)CCC2 ZINC000414056597 433365146 /nfs/dbraw/zinc/36/51/46/433365146.db2.gz DPIPZTRHRBTLCT-HNNXBMFYSA-N 2 2 304.482 3.135 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000414053621 433365422 /nfs/dbraw/zinc/36/54/22/433365422.db2.gz AXINZVCFZOKIGN-HNNXBMFYSA-N 2 2 313.445 3.430 20 0 DGADLP Cc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425917855 433375464 /nfs/dbraw/zinc/37/54/64/433375464.db2.gz DEYJAHDHPYWZFB-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1cccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425917855 433375471 /nfs/dbraw/zinc/37/54/71/433375471.db2.gz DEYJAHDHPYWZFB-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425917855 433375478 /nfs/dbraw/zinc/37/54/78/433375478.db2.gz DEYJAHDHPYWZFB-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425917855 433375487 /nfs/dbraw/zinc/37/54/87/433375487.db2.gz DEYJAHDHPYWZFB-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000361762765 433376689 /nfs/dbraw/zinc/37/66/89/433376689.db2.gz CJIANVIUSHJFEW-CBZIJGRNSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000361762765 433376699 /nfs/dbraw/zinc/37/66/99/433376699.db2.gz CJIANVIUSHJFEW-CBZIJGRNSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000361762765 433376716 /nfs/dbraw/zinc/37/67/16/433376716.db2.gz CJIANVIUSHJFEW-CBZIJGRNSA-N 3 2 321.534 3.061 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000341869382 433326598 /nfs/dbraw/zinc/32/65/98/433326598.db2.gz APOJNIGRBNGEPD-IPMKNSEASA-N 2 2 302.462 3.056 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000341869382 433326607 /nfs/dbraw/zinc/32/66/07/433326607.db2.gz APOJNIGRBNGEPD-IPMKNSEASA-N 2 2 302.462 3.056 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CCC2 ZINC000339068487 433342946 /nfs/dbraw/zinc/34/29/46/433342946.db2.gz QOQJMHRSJYSGAD-QZTJIDSGSA-N 2 2 304.503 3.399 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000351228194 433425354 /nfs/dbraw/zinc/42/53/54/433425354.db2.gz GGAWLBBHQASKGT-SCRDCRAPSA-N 2 2 300.406 3.298 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000351228194 433425366 /nfs/dbraw/zinc/42/53/66/433425366.db2.gz GGAWLBBHQASKGT-SCRDCRAPSA-N 2 2 300.406 3.298 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)C2 ZINC000425927637 433379471 /nfs/dbraw/zinc/37/94/71/433379471.db2.gz XALOEWKBBRLKIM-BQFCYCMXSA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)C2 ZINC000425927637 433379474 /nfs/dbraw/zinc/37/94/74/433379474.db2.gz XALOEWKBBRLKIM-BQFCYCMXSA-N 2 2 316.489 3.405 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cc2n(n1)CCC2 ZINC000414103418 433396032 /nfs/dbraw/zinc/39/60/32/433396032.db2.gz DPQOTDOXYDPCEQ-JYJNAYRXSA-N 2 2 316.493 3.133 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cc2n(n1)CCC2 ZINC000414103418 433396043 /nfs/dbraw/zinc/39/60/43/433396043.db2.gz DPQOTDOXYDPCEQ-JYJNAYRXSA-N 2 2 316.493 3.133 20 0 DGADLP c1ccc2[nH+]c(NCC3([NH+]4CCOCC4)CCCCC3)[nH]c2c1 ZINC000301085821 433410185 /nfs/dbraw/zinc/41/01/85/433410185.db2.gz XACFLTYIULJZMM-UHFFFAOYSA-N 2 2 314.433 3.010 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000426048497 433411497 /nfs/dbraw/zinc/41/14/97/433411497.db2.gz HNSHQVMRGVGYJL-IAGOWNOFSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000426048497 433411504 /nfs/dbraw/zinc/41/15/04/433411504.db2.gz HNSHQVMRGVGYJL-IAGOWNOFSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000361893647 433443367 /nfs/dbraw/zinc/44/33/67/433443367.db2.gz YEMJCBOEVXMVNN-IEBWSBKVSA-N 2 2 304.478 3.332 20 0 DGADLP CCC[NH+](CCC)CCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454481529 433443608 /nfs/dbraw/zinc/44/36/08/433443608.db2.gz PEPNPSZMGKVPOM-UHFFFAOYSA-N 2 2 320.481 3.010 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055389 433444069 /nfs/dbraw/zinc/44/40/69/433444069.db2.gz BXJVRJPDDNUDQL-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055389 433444073 /nfs/dbraw/zinc/44/40/73/433444073.db2.gz BXJVRJPDDNUDQL-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055389 433444081 /nfs/dbraw/zinc/44/40/81/433444081.db2.gz BXJVRJPDDNUDQL-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)C1 ZINC000292055389 433444090 /nfs/dbraw/zinc/44/40/90/433444090.db2.gz BXJVRJPDDNUDQL-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000414181464 433445815 /nfs/dbraw/zinc/44/58/15/433445815.db2.gz MHUIKWPRLWBTEK-ZAWLATJESA-N 2 2 301.478 3.316 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000414181464 433445820 /nfs/dbraw/zinc/44/58/20/433445820.db2.gz MHUIKWPRLWBTEK-ZAWLATJESA-N 2 2 301.478 3.316 20 0 DGADLP C[NH+](C)CC1(C[NH2+][C@@H](c2ccccc2)c2cncnc2)CCCC1 ZINC000355071285 433446400 /nfs/dbraw/zinc/44/64/00/433446400.db2.gz VEKHPBLBJYWNEY-IBGZPJMESA-N 2 2 324.472 3.278 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000414182507 433446594 /nfs/dbraw/zinc/44/65/94/433446594.db2.gz NDRUHFJWYJPZRA-NNZMDNLPSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000414182507 433446607 /nfs/dbraw/zinc/44/66/07/433446607.db2.gz NDRUHFJWYJPZRA-NNZMDNLPSA-N 2 2 311.429 3.268 20 0 DGADLP CC(C)c1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C2CC2)cc1 ZINC000351292909 433457595 /nfs/dbraw/zinc/45/75/95/433457595.db2.gz VTVKJWUZFAQHFW-HXUWFJFHSA-N 2 2 316.489 3.230 20 0 DGADLP CC(C)c1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C2CC2)cc1 ZINC000351292909 433457604 /nfs/dbraw/zinc/45/76/04/433457604.db2.gz VTVKJWUZFAQHFW-HXUWFJFHSA-N 2 2 316.489 3.230 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C2CC2)cc1 ZINC000351292909 433457611 /nfs/dbraw/zinc/45/76/11/433457611.db2.gz VTVKJWUZFAQHFW-HXUWFJFHSA-N 2 2 316.489 3.230 20 0 DGADLP CC(C)c1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000351292909 433457618 /nfs/dbraw/zinc/45/76/18/433457618.db2.gz VTVKJWUZFAQHFW-HXUWFJFHSA-N 2 2 316.489 3.230 20 0 DGADLP CCn1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000414208646 433463007 /nfs/dbraw/zinc/46/30/07/433463007.db2.gz MCKBESQZVOCABQ-AWEZNQCLSA-N 2 2 309.417 3.248 20 0 DGADLP CCCc1csc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000426365585 433470649 /nfs/dbraw/zinc/47/06/49/433470649.db2.gz MUICQNJKYQMTFC-AWEZNQCLSA-N 2 2 318.490 3.284 20 0 DGADLP CCCc1csc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000426365585 433470660 /nfs/dbraw/zinc/47/06/60/433470660.db2.gz MUICQNJKYQMTFC-AWEZNQCLSA-N 2 2 318.490 3.284 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000361980238 433477957 /nfs/dbraw/zinc/47/79/57/433477957.db2.gz ISPSNBIPLWBQNV-DCGLDWPTSA-N 2 2 305.441 3.025 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000361980238 433477965 /nfs/dbraw/zinc/47/79/65/433477965.db2.gz ISPSNBIPLWBQNV-DCGLDWPTSA-N 2 2 305.441 3.025 20 0 DGADLP Cc1ccc(CCC[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c[nH+]1 ZINC000351336737 433479609 /nfs/dbraw/zinc/47/96/09/433479609.db2.gz ZVJJKHARXKQNJA-UHFFFAOYSA-N 3 2 324.472 3.285 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000351348345 433483916 /nfs/dbraw/zinc/48/39/16/433483916.db2.gz FMKQRXCHQZCYMD-MRXNPFEDSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000351348345 433483925 /nfs/dbraw/zinc/48/39/25/433483925.db2.gz FMKQRXCHQZCYMD-MRXNPFEDSA-N 2 2 322.880 3.193 20 0 DGADLP CCc1nc(N(C)C2CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000342127874 433484362 /nfs/dbraw/zinc/48/43/62/433484362.db2.gz BXPVAGIKLZKBLW-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP c1ccc(NCCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[nH+]c1 ZINC000282150418 433510997 /nfs/dbraw/zinc/51/09/97/433510997.db2.gz COVVOLMYIQGQBI-CQSZACIVSA-N 2 2 306.413 3.122 20 0 DGADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447128 433512404 /nfs/dbraw/zinc/51/24/04/433512404.db2.gz UPTCASTYWZSOPO-PBHICJAKSA-N 2 2 316.445 3.271 20 0 DGADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447128 433512410 /nfs/dbraw/zinc/51/24/10/433512410.db2.gz UPTCASTYWZSOPO-PBHICJAKSA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447128 433512421 /nfs/dbraw/zinc/51/24/21/433512421.db2.gz UPTCASTYWZSOPO-PBHICJAKSA-N 2 2 316.445 3.271 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1cc2ccccc2o1 ZINC000351447128 433512429 /nfs/dbraw/zinc/51/24/29/433512429.db2.gz UPTCASTYWZSOPO-PBHICJAKSA-N 2 2 316.445 3.271 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)n1C ZINC000414296955 433520672 /nfs/dbraw/zinc/52/06/72/433520672.db2.gz FWOKQFKSKKIROQ-ROUUACIJSA-N 2 2 312.461 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000282210273 433532902 /nfs/dbraw/zinc/53/29/02/433532902.db2.gz OJUGIGZOOSWRAX-FFGOWVMKSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000282210273 433532908 /nfs/dbraw/zinc/53/29/08/433532908.db2.gz OJUGIGZOOSWRAX-FFGOWVMKSA-N 2 2 316.489 3.444 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1O ZINC000426403393 433487029 /nfs/dbraw/zinc/48/70/29/433487029.db2.gz WHKBLBZHNBUKLS-HOTGVXAUSA-N 2 2 320.477 3.043 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1O ZINC000426403393 433487042 /nfs/dbraw/zinc/48/70/42/433487042.db2.gz WHKBLBZHNBUKLS-HOTGVXAUSA-N 2 2 320.477 3.043 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(F)c2cccnc12 ZINC000355141560 433488709 /nfs/dbraw/zinc/48/87/09/433488709.db2.gz URWJASNEBCQIAK-CVEARBPZSA-N 2 2 313.420 3.433 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(F)c2cccnc12 ZINC000355141560 433488717 /nfs/dbraw/zinc/48/87/17/433488717.db2.gz URWJASNEBCQIAK-CVEARBPZSA-N 2 2 313.420 3.433 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c2cccnc12 ZINC000355141560 433488722 /nfs/dbraw/zinc/48/87/22/433488722.db2.gz URWJASNEBCQIAK-CVEARBPZSA-N 2 2 313.420 3.433 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c2cccnc12 ZINC000355141560 433488727 /nfs/dbraw/zinc/48/87/27/433488727.db2.gz URWJASNEBCQIAK-CVEARBPZSA-N 2 2 313.420 3.433 20 0 DGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128347 433489277 /nfs/dbraw/zinc/48/92/77/433489277.db2.gz MUFOBRLKAFYOFM-QUCCMNQESA-N 2 2 314.473 3.441 20 0 DGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128347 433489287 /nfs/dbraw/zinc/48/92/87/433489287.db2.gz MUFOBRLKAFYOFM-QUCCMNQESA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128347 433489294 /nfs/dbraw/zinc/48/92/94/433489294.db2.gz MUFOBRLKAFYOFM-QUCCMNQESA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342128347 433489300 /nfs/dbraw/zinc/48/93/00/433489300.db2.gz MUFOBRLKAFYOFM-QUCCMNQESA-N 2 2 314.473 3.441 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000414258849 433493061 /nfs/dbraw/zinc/49/30/61/433493061.db2.gz MFJIFQRIFVZYDV-OCCSQVGLSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000414258849 433493066 /nfs/dbraw/zinc/49/30/66/433493066.db2.gz MFJIFQRIFVZYDV-OCCSQVGLSA-N 2 2 311.267 3.330 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000426415045 433494275 /nfs/dbraw/zinc/49/42/75/433494275.db2.gz CNFHZANFSGUJCX-CQSZACIVSA-N 2 2 316.474 3.425 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000426415045 433494284 /nfs/dbraw/zinc/49/42/84/433494284.db2.gz CNFHZANFSGUJCX-CQSZACIVSA-N 2 2 316.474 3.425 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342141238 433496858 /nfs/dbraw/zinc/49/68/58/433496858.db2.gz ZWEGRYDPBBLYOO-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342141238 433496864 /nfs/dbraw/zinc/49/68/64/433496864.db2.gz ZWEGRYDPBBLYOO-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342141240 433497011 /nfs/dbraw/zinc/49/70/11/433497011.db2.gz ZWEGRYDPBBLYOO-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342141240 433497015 /nfs/dbraw/zinc/49/70/15/433497015.db2.gz ZWEGRYDPBBLYOO-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000375615382 433507071 /nfs/dbraw/zinc/50/70/71/433507071.db2.gz WPKXRXKBCQYWRJ-AEFFLSMTSA-N 2 2 305.466 3.363 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000375615382 433507082 /nfs/dbraw/zinc/50/70/82/433507082.db2.gz WPKXRXKBCQYWRJ-AEFFLSMTSA-N 2 2 305.466 3.363 20 0 DGADLP C[C@H]1CC[N@H+](CCCCC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000375615383 433507122 /nfs/dbraw/zinc/50/71/22/433507122.db2.gz WPKXRXKBCQYWRJ-FUHWJXTLSA-N 2 2 305.466 3.363 20 0 DGADLP C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000375615383 433507131 /nfs/dbraw/zinc/50/71/31/433507131.db2.gz WPKXRXKBCQYWRJ-FUHWJXTLSA-N 2 2 305.466 3.363 20 0 DGADLP CCc1ncc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000414390546 433593503 /nfs/dbraw/zinc/59/35/03/433593503.db2.gz JEAFQTZIDAKMCL-HNNXBMFYSA-N 2 2 312.461 3.258 20 0 DGADLP Cc1cc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301433157 433554678 /nfs/dbraw/zinc/55/46/78/433554678.db2.gz KYIATVLCGAQRMX-GOSISDBHSA-N 2 2 310.445 3.194 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289555 433554724 /nfs/dbraw/zinc/55/47/24/433554724.db2.gz BWNKXHDHHGQEOE-QFBILLFUSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289555 433554735 /nfs/dbraw/zinc/55/47/35/433554735.db2.gz BWNKXHDHHGQEOE-QFBILLFUSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289552 433555087 /nfs/dbraw/zinc/55/50/87/433555087.db2.gz BWNKXHDHHGQEOE-LPHOPBHVSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289552 433555093 /nfs/dbraw/zinc/55/50/93/433555093.db2.gz BWNKXHDHHGQEOE-LPHOPBHVSA-N 2 2 324.472 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764338 433556581 /nfs/dbraw/zinc/55/65/81/433556581.db2.gz PURSDHDMOWOOBU-UFRUDQCGSA-N 3 2 324.472 3.238 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764338 433556588 /nfs/dbraw/zinc/55/65/88/433556588.db2.gz PURSDHDMOWOOBU-UFRUDQCGSA-N 3 2 324.472 3.238 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375764338 433556597 /nfs/dbraw/zinc/55/65/97/433556597.db2.gz PURSDHDMOWOOBU-UFRUDQCGSA-N 3 2 324.472 3.238 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375764338 433556602 /nfs/dbraw/zinc/55/66/02/433556602.db2.gz PURSDHDMOWOOBU-UFRUDQCGSA-N 3 2 324.472 3.238 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000339398112 433560489 /nfs/dbraw/zinc/56/04/89/433560489.db2.gz VQOPGEULZNXAGX-BBRMVZONSA-N 2 2 314.433 3.235 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000339398112 433560494 /nfs/dbraw/zinc/56/04/94/433560494.db2.gz VQOPGEULZNXAGX-BBRMVZONSA-N 2 2 314.433 3.235 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414353915 433564328 /nfs/dbraw/zinc/56/43/28/433564328.db2.gz WISNLPJSSRRKBO-CHWSQXEVSA-N 2 2 302.340 3.142 20 0 DGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414360076 433569785 /nfs/dbraw/zinc/56/97/85/433569785.db2.gz FXRVUJHWGZCGKZ-YVEFUNNKSA-N 2 2 316.424 3.038 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000282339990 433571941 /nfs/dbraw/zinc/57/19/41/433571941.db2.gz VGODMFYUFZCBTM-DOTOQJQBSA-N 2 2 317.408 3.306 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377077 433579470 /nfs/dbraw/zinc/57/94/70/433579470.db2.gz DVUIDCBUZNDUCO-DLBZAZTESA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377077 433579477 /nfs/dbraw/zinc/57/94/77/433579477.db2.gz DVUIDCBUZNDUCO-DLBZAZTESA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377077 433579487 /nfs/dbraw/zinc/57/94/87/433579487.db2.gz DVUIDCBUZNDUCO-DLBZAZTESA-N 2 2 316.493 3.125 20 0 DGADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000414377077 433579498 /nfs/dbraw/zinc/57/94/98/433579498.db2.gz DVUIDCBUZNDUCO-DLBZAZTESA-N 2 2 316.493 3.125 20 0 DGADLP FC1(F)Oc2cccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2O1 ZINC000414387131 433587320 /nfs/dbraw/zinc/58/73/20/433587320.db2.gz YJKUKRVCTMEKFE-UHFFFAOYSA-N 2 2 321.327 3.111 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Br)c3)C2)C1 ZINC000339439095 433587973 /nfs/dbraw/zinc/58/79/73/433587973.db2.gz URHHYUDZTOEJTJ-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Br)c3)C2)C1 ZINC000339439095 433587981 /nfs/dbraw/zinc/58/79/81/433587981.db2.gz URHHYUDZTOEJTJ-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(Br)c3)C2)C1 ZINC000339439095 433587986 /nfs/dbraw/zinc/58/79/86/433587986.db2.gz URHHYUDZTOEJTJ-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC000339439095 433587994 /nfs/dbraw/zinc/58/79/94/433587994.db2.gz URHHYUDZTOEJTJ-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP Cc1ccc(CCC[NH2+]C(C)(C)c2cn(C(C)C)nn2)c[nH+]1 ZINC000421401031 433546093 /nfs/dbraw/zinc/54/60/93/433546093.db2.gz KWWILRCUWYDFPB-UHFFFAOYSA-N 2 2 301.438 3.020 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000161609632 292838583 /nfs/dbraw/zinc/83/85/83/292838583.db2.gz AMOFFCNQTKBJJJ-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@H]1[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000375985545 433631704 /nfs/dbraw/zinc/63/17/04/433631704.db2.gz MZBJRSPBXPWZEL-JZFYCYHFSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@H]1[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000375985545 433631711 /nfs/dbraw/zinc/63/17/11/433631711.db2.gz MZBJRSPBXPWZEL-JZFYCYHFSA-N 2 2 302.462 3.195 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301637435 433649060 /nfs/dbraw/zinc/64/90/60/433649060.db2.gz LWKBJSAPAQRKJK-OAHLLOKOSA-N 2 2 309.344 3.427 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356526133 433603289 /nfs/dbraw/zinc/60/32/89/433603289.db2.gz MJOHJNRNDNVBKB-QZTJIDSGSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356526133 433603293 /nfs/dbraw/zinc/60/32/93/433603293.db2.gz MJOHJNRNDNVBKB-QZTJIDSGSA-N 2 2 300.446 3.356 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609732 433612534 /nfs/dbraw/zinc/61/25/34/433612534.db2.gz TUGABBIUBKZKJI-VQTJNVASSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609732 433612543 /nfs/dbraw/zinc/61/25/43/433612543.db2.gz TUGABBIUBKZKJI-VQTJNVASSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000351609732 433612551 /nfs/dbraw/zinc/61/25/51/433612551.db2.gz TUGABBIUBKZKJI-VQTJNVASSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609732 433612555 /nfs/dbraw/zinc/61/25/55/433612555.db2.gz TUGABBIUBKZKJI-VQTJNVASSA-N 3 2 321.553 3.305 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427113964 433655378 /nfs/dbraw/zinc/65/53/78/433655378.db2.gz KFNXZMGTUXJYJT-YPMHNXCESA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427113964 433655385 /nfs/dbraw/zinc/65/53/85/433655385.db2.gz KFNXZMGTUXJYJT-YPMHNXCESA-N 2 2 316.779 3.125 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000376087047 433663029 /nfs/dbraw/zinc/66/30/29/433663029.db2.gz WNPXLLCTKFTPJW-NUJGCVRESA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000376087047 433663036 /nfs/dbraw/zinc/66/30/36/433663036.db2.gz WNPXLLCTKFTPJW-NUJGCVRESA-N 2 2 316.493 3.053 20 0 DGADLP CO[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)c1ccc(Cl)cc1 ZINC000283128100 433673412 /nfs/dbraw/zinc/67/34/12/433673412.db2.gz NHLLARBNWBQHET-QGZVFWFLSA-N 2 2 310.869 3.490 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026865 433676471 /nfs/dbraw/zinc/67/64/71/433676471.db2.gz GZOIXRYLWOESLQ-WBVHZDCISA-N 2 2 304.482 3.303 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026865 433676476 /nfs/dbraw/zinc/67/64/76/433676476.db2.gz GZOIXRYLWOESLQ-WBVHZDCISA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026865 433676486 /nfs/dbraw/zinc/67/64/86/433676486.db2.gz GZOIXRYLWOESLQ-WBVHZDCISA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449026865 433676495 /nfs/dbraw/zinc/67/64/95/433676495.db2.gz GZOIXRYLWOESLQ-WBVHZDCISA-N 2 2 304.482 3.303 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000301697001 433683201 /nfs/dbraw/zinc/68/32/01/433683201.db2.gz BSNRCYQIGFPDNW-KRWDZBQOSA-N 2 2 313.445 3.048 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000351732364 433692176 /nfs/dbraw/zinc/69/21/76/433692176.db2.gz QZGWISKCNHGTRA-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000351732364 433692183 /nfs/dbraw/zinc/69/21/83/433692183.db2.gz QZGWISKCNHGTRA-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000427103676 433650751 /nfs/dbraw/zinc/65/07/51/433650751.db2.gz WOUBCIMTUROCTA-IVMMDQJWSA-N 2 2 323.278 3.236 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000427103676 433650763 /nfs/dbraw/zinc/65/07/63/433650763.db2.gz WOUBCIMTUROCTA-IVMMDQJWSA-N 2 2 323.278 3.236 20 0 DGADLP CC(C)SCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000366913798 293004125 /nfs/dbraw/zinc/00/41/25/293004125.db2.gz UFLXCNIYJNECDV-WBVHZDCISA-N 2 2 307.507 3.023 20 0 DGADLP CC(C)SCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000366913798 293004126 /nfs/dbraw/zinc/00/41/26/293004126.db2.gz UFLXCNIYJNECDV-WBVHZDCISA-N 2 2 307.507 3.023 20 0 DGADLP CC(C)c1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000367129317 293028300 /nfs/dbraw/zinc/02/83/00/293028300.db2.gz PSTPHRJQHHOTPN-OAHLLOKOSA-N 2 2 302.466 3.398 20 0 DGADLP CC(C)c1cc(N2CCC[N@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000367129317 293028303 /nfs/dbraw/zinc/02/83/03/293028303.db2.gz PSTPHRJQHHOTPN-OAHLLOKOSA-N 2 2 302.466 3.398 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2ccccc2s1 ZINC000376215166 433695158 /nfs/dbraw/zinc/69/51/58/433695158.db2.gz DUEWXSJHEUZPRL-NUEKZKHPSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2ccccc2s1 ZINC000376215166 433695164 /nfs/dbraw/zinc/69/51/64/433695164.db2.gz DUEWXSJHEUZPRL-NUEKZKHPSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000367596369 293088625 /nfs/dbraw/zinc/08/86/25/293088625.db2.gz PERXGLINRHRWLJ-NVXWUHKLSA-N 2 2 304.482 3.353 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000368131580 293096997 /nfs/dbraw/zinc/09/69/97/293096997.db2.gz ATIDCMCTTGPVKT-OAHLLOKOSA-N 2 2 311.429 3.123 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000368131580 293097001 /nfs/dbraw/zinc/09/70/01/293097001.db2.gz ATIDCMCTTGPVKT-OAHLLOKOSA-N 2 2 311.429 3.123 20 0 DGADLP CC(C)c1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC000368299781 293113358 /nfs/dbraw/zinc/11/33/58/293113358.db2.gz RZIBSHCKTNMHIU-SFHVURJKSA-N 2 2 302.466 3.255 20 0 DGADLP CC(C)c1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC000368299781 293113359 /nfs/dbraw/zinc/11/33/59/293113359.db2.gz RZIBSHCKTNMHIU-SFHVURJKSA-N 2 2 302.466 3.255 20 0 DGADLP CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4C)[C@H]1[C@H]3C2 ZINC000368507187 293128807 /nfs/dbraw/zinc/12/88/07/293128807.db2.gz ITPYYWNYFFLVRZ-CZKCSJLSSA-N 2 2 323.440 3.036 20 0 DGADLP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4C)[C@H]1[C@H]3C2 ZINC000368507187 293128810 /nfs/dbraw/zinc/12/88/10/293128810.db2.gz ITPYYWNYFFLVRZ-CZKCSJLSSA-N 2 2 323.440 3.036 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CCCC1 ZINC000446838246 293150569 /nfs/dbraw/zinc/15/05/69/293150569.db2.gz GIKZARQYXNDOLV-OALUTQOASA-N 2 2 304.478 3.393 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000370207238 293163162 /nfs/dbraw/zinc/16/31/62/293163162.db2.gz IJIPAAHCPJPMGT-SFHVURJKSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000370207238 293163165 /nfs/dbraw/zinc/16/31/65/293163165.db2.gz IJIPAAHCPJPMGT-SFHVURJKSA-N 2 2 312.461 3.170 20 0 DGADLP CCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000351762016 433706724 /nfs/dbraw/zinc/70/67/24/433706724.db2.gz QBKQHZLPDFJFLT-UHFFFAOYSA-N 2 2 301.478 3.073 20 0 DGADLP CCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000351762016 433706729 /nfs/dbraw/zinc/70/67/29/433706729.db2.gz QBKQHZLPDFJFLT-UHFFFAOYSA-N 2 2 301.478 3.073 20 0 DGADLP FC(F)(F)c1cccc([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000372350387 293237108 /nfs/dbraw/zinc/23/71/08/293237108.db2.gz RNYQYIHLIBNOMI-CQSZACIVSA-N 2 2 309.335 3.391 20 0 DGADLP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000372350387 293237111 /nfs/dbraw/zinc/23/71/11/293237111.db2.gz RNYQYIHLIBNOMI-CQSZACIVSA-N 2 2 309.335 3.391 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cn2)c[nH+]1 ZINC000373825437 293320459 /nfs/dbraw/zinc/32/04/59/293320459.db2.gz QNZKLWJURNQUDH-IBGZPJMESA-N 2 2 319.412 3.293 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000373852329 293323619 /nfs/dbraw/zinc/32/36/19/293323619.db2.gz AOKNNKVUQCJCJE-DLBZAZTESA-N 2 2 318.509 3.300 20 0 DGADLP FC1(F)CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000374371183 293390565 /nfs/dbraw/zinc/39/05/65/293390565.db2.gz IJJMOUPLNABWSB-UHFFFAOYSA-N 2 2 309.404 3.466 20 0 DGADLP CC[N@@H+](Cc1cc(C)on1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362443200 433718431 /nfs/dbraw/zinc/71/84/31/433718431.db2.gz YPTOZQIFJNHKIP-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[N@H+](Cc1cc(C)on1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362443200 433718444 /nfs/dbraw/zinc/71/84/44/433718444.db2.gz YPTOZQIFJNHKIP-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1cc(C)on1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362443200 433718456 /nfs/dbraw/zinc/71/84/56/433718456.db2.gz YPTOZQIFJNHKIP-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1cc(C)on1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362443200 433718463 /nfs/dbraw/zinc/71/84/63/433718463.db2.gz YPTOZQIFJNHKIP-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)[NH+]2CCCC2)cc1 ZINC000449106421 433726020 /nfs/dbraw/zinc/72/60/20/433726020.db2.gz LYFSCCXQAOTMGO-JFRXWTBNSA-N 2 2 302.462 3.287 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000449086165 433726531 /nfs/dbraw/zinc/72/65/31/433726531.db2.gz BATXVONZFFTWEO-YRGRVCCFSA-N 2 2 310.363 3.308 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000449086165 433726541 /nfs/dbraw/zinc/72/65/41/433726541.db2.gz BATXVONZFFTWEO-YRGRVCCFSA-N 2 2 310.363 3.308 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000356840547 433727141 /nfs/dbraw/zinc/72/71/41/433727141.db2.gz FQCBXDSEICWDCQ-ARFHVFGLSA-N 2 2 308.491 3.290 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000356840549 433727970 /nfs/dbraw/zinc/72/79/70/433727970.db2.gz FQCBXDSEICWDCQ-HRCADAONSA-N 2 2 308.491 3.290 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ncc(Br)s1 ZINC000339683256 433728227 /nfs/dbraw/zinc/72/82/27/433728227.db2.gz XDVYNDYMSWVSNN-LPEHRKFASA-N 2 2 318.284 3.039 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ncc(Br)s1 ZINC000339683256 433728240 /nfs/dbraw/zinc/72/82/40/433728240.db2.gz XDVYNDYMSWVSNN-LPEHRKFASA-N 2 2 318.284 3.039 20 0 DGADLP COC1([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000421819452 433743875 /nfs/dbraw/zinc/74/38/75/433743875.db2.gz HESHLMOBXAPMCY-MRXNPFEDSA-N 2 2 313.445 3.369 20 0 DGADLP C[C@@H](CCCC[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000293454156 433744093 /nfs/dbraw/zinc/74/40/93/433744093.db2.gz PNCNLOXYYAYMRG-AWEZNQCLSA-N 2 2 313.401 3.121 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000356892391 433752959 /nfs/dbraw/zinc/75/29/59/433752959.db2.gz JKBUCOMSLMSGMI-XJKSGUPXSA-N 2 2 301.459 3.240 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000356892391 433752967 /nfs/dbraw/zinc/75/29/67/433752967.db2.gz JKBUCOMSLMSGMI-XJKSGUPXSA-N 2 2 301.459 3.240 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848418 433753461 /nfs/dbraw/zinc/75/34/61/433753461.db2.gz COIKJRRFPXDMBX-HOCLYGCPSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848418 433753471 /nfs/dbraw/zinc/75/34/71/433753471.db2.gz COIKJRRFPXDMBX-HOCLYGCPSA-N 2 2 315.486 3.097 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282867 433754690 /nfs/dbraw/zinc/75/46/90/433754690.db2.gz RHSNXESDYVBSCC-WDSOQIARSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282867 433754700 /nfs/dbraw/zinc/75/47/00/433754700.db2.gz RHSNXESDYVBSCC-WDSOQIARSA-N 2 2 306.494 3.023 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863514 433758733 /nfs/dbraw/zinc/75/87/33/433758733.db2.gz UGIPHLDCNFNNPD-FZMZJTMJSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000351863514 433758747 /nfs/dbraw/zinc/75/87/47/433758747.db2.gz UGIPHLDCNFNNPD-FZMZJTMJSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000301862656 433768136 /nfs/dbraw/zinc/76/81/36/433768136.db2.gz CQQUQKRGTUEHRA-INIZCTEOSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000301862656 433768142 /nfs/dbraw/zinc/76/81/42/433768142.db2.gz CQQUQKRGTUEHRA-INIZCTEOSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877458 433769015 /nfs/dbraw/zinc/76/90/15/433769015.db2.gz PMWXDGFXZOYFRO-OXJNMPFZSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877458 433769021 /nfs/dbraw/zinc/76/90/21/433769021.db2.gz PMWXDGFXZOYFRO-OXJNMPFZSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877458 433769028 /nfs/dbraw/zinc/76/90/28/433769028.db2.gz PMWXDGFXZOYFRO-OXJNMPFZSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877458 433769037 /nfs/dbraw/zinc/76/90/37/433769037.db2.gz PMWXDGFXZOYFRO-OXJNMPFZSA-N 2 2 324.472 3.270 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849097 433823088 /nfs/dbraw/zinc/82/30/88/433823088.db2.gz HJSAAZZXAQDZJS-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)cc2)C1 ZINC000339849097 433823097 /nfs/dbraw/zinc/82/30/97/433823097.db2.gz HJSAAZZXAQDZJS-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849097 433823104 /nfs/dbraw/zinc/82/31/04/433823104.db2.gz HJSAAZZXAQDZJS-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000339849097 433823112 /nfs/dbraw/zinc/82/31/12/433823112.db2.gz HJSAAZZXAQDZJS-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414661749 433774327 /nfs/dbraw/zinc/77/43/27/433774327.db2.gz XUFNFVJVEAZUMO-MRXNPFEDSA-N 2 2 316.832 3.452 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414661749 433774334 /nfs/dbraw/zinc/77/43/34/433774334.db2.gz XUFNFVJVEAZUMO-MRXNPFEDSA-N 2 2 316.832 3.452 20 0 DGADLP C[NH2+][C@H]1CCC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669100 433779207 /nfs/dbraw/zinc/77/92/07/433779207.db2.gz JMODMSRMBUPXAB-WFASDCNBSA-N 2 2 300.368 3.493 20 0 DGADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414669100 433779211 /nfs/dbraw/zinc/77/92/11/433779211.db2.gz JMODMSRMBUPXAB-WFASDCNBSA-N 2 2 300.368 3.493 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000283828312 433784912 /nfs/dbraw/zinc/78/49/12/433784912.db2.gz GQANJWBYWVXDSK-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000283828312 433784916 /nfs/dbraw/zinc/78/49/16/433784916.db2.gz GQANJWBYWVXDSK-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CC(C)[NH+](CCCNc1nc(N)c2ccccc2[nH+]1)C(C)C ZINC000301901467 433789090 /nfs/dbraw/zinc/78/90/90/433789090.db2.gz NHUYNTYATIDWSB-UHFFFAOYSA-N 2 2 301.438 3.133 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(C)c1 ZINC000430596533 433792613 /nfs/dbraw/zinc/79/26/13/433792613.db2.gz WZRHCQYZRIOQMC-IRXDYDNUSA-N 2 2 319.493 3.244 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c(C)c1 ZINC000430596533 433792622 /nfs/dbraw/zinc/79/26/22/433792622.db2.gz WZRHCQYZRIOQMC-IRXDYDNUSA-N 2 2 319.493 3.244 20 0 DGADLP C[NH2+][C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430635170 433794046 /nfs/dbraw/zinc/79/40/46/433794046.db2.gz FZLCYLIMPYVWIA-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+][C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430635170 433794056 /nfs/dbraw/zinc/79/40/56/433794056.db2.gz FZLCYLIMPYVWIA-AWEZNQCLSA-N 2 2 316.367 3.158 20 0 DGADLP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)n1-c1ccccc1 ZINC000449787302 433796024 /nfs/dbraw/zinc/79/60/24/433796024.db2.gz UNRABIKTNOIUDN-GOSISDBHSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)n1-c1ccccc1 ZINC000449787302 433796036 /nfs/dbraw/zinc/79/60/36/433796036.db2.gz UNRABIKTNOIUDN-GOSISDBHSA-N 2 2 312.461 3.095 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414705334 433801944 /nfs/dbraw/zinc/80/19/44/433801944.db2.gz LJUGYFOEAQDGAC-QGZVFWFLSA-N 3 2 309.542 3.351 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414705334 433801952 /nfs/dbraw/zinc/80/19/52/433801952.db2.gz LJUGYFOEAQDGAC-QGZVFWFLSA-N 3 2 309.542 3.351 20 0 DGADLP CCC[C@H]1CN(c2cc[nH+]c3ccsc32)CC[N@@H+]1CCOC ZINC000301944640 433804456 /nfs/dbraw/zinc/80/44/56/433804456.db2.gz WTYSCWDUJTZBRM-AWEZNQCLSA-N 2 2 319.474 3.233 20 0 DGADLP CCC[C@H]1CN(c2cc[nH+]c3ccsc32)CC[N@H+]1CCOC ZINC000301944640 433804463 /nfs/dbraw/zinc/80/44/63/433804463.db2.gz WTYSCWDUJTZBRM-AWEZNQCLSA-N 2 2 319.474 3.233 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623153 433806596 /nfs/dbraw/zinc/80/65/96/433806596.db2.gz HEVKLRSGOGWMNV-BZSNNMDCSA-N 2 2 316.445 3.141 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623153 433806606 /nfs/dbraw/zinc/80/66/06/433806606.db2.gz HEVKLRSGOGWMNV-BZSNNMDCSA-N 2 2 316.445 3.141 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1OC ZINC000414837668 433874176 /nfs/dbraw/zinc/87/41/76/433874176.db2.gz UUXFOGNKYHEYQE-QGZVFWFLSA-N 2 2 314.429 3.274 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1O ZINC000414842741 433876524 /nfs/dbraw/zinc/87/65/24/433876524.db2.gz ZBVCDUPPDJZGKV-PBHICJAKSA-N 2 2 314.429 3.012 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000351979568 433829968 /nfs/dbraw/zinc/82/99/68/433829968.db2.gz RZIHKVZMUSTGRD-UIRWJGRMSA-N 2 2 302.462 3.310 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000351979568 433829980 /nfs/dbraw/zinc/82/99/80/433829980.db2.gz RZIHKVZMUSTGRD-UIRWJGRMSA-N 2 2 302.462 3.310 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000414790766 433840185 /nfs/dbraw/zinc/84/01/85/433840185.db2.gz GUEAJQDATLSKBU-AWEZNQCLSA-N 2 2 314.857 3.210 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)C[NH+](C)C ZINC000293734250 433844378 /nfs/dbraw/zinc/84/43/78/433844378.db2.gz QGOGKFBPRKMQGH-KDOFPFPSSA-N 2 2 301.409 3.097 20 0 DGADLP COc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OCC(C)C ZINC000414797924 433846004 /nfs/dbraw/zinc/84/60/04/433846004.db2.gz YZMNBZPSSUHPMW-UHFFFAOYSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OCC(C)C ZINC000414797924 433846013 /nfs/dbraw/zinc/84/60/13/433846013.db2.gz YZMNBZPSSUHPMW-UHFFFAOYSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)C[NH+](C)C ZINC000293753108 433853945 /nfs/dbraw/zinc/85/39/45/433853945.db2.gz ROIUZYFVNQFUTA-RYUDHWBXSA-N 2 2 308.857 3.075 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000339911485 433854870 /nfs/dbraw/zinc/85/48/70/433854870.db2.gz VZCUFGHRTSLUPP-CQSZACIVSA-N 2 2 310.376 3.097 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000339911485 433854873 /nfs/dbraw/zinc/85/48/73/433854873.db2.gz VZCUFGHRTSLUPP-CQSZACIVSA-N 2 2 310.376 3.097 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000414816728 433857713 /nfs/dbraw/zinc/85/77/13/433857713.db2.gz QHWZDDMYJHRAMQ-GFCCVEGCSA-N 2 2 303.219 3.195 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000414820408 433860726 /nfs/dbraw/zinc/86/07/26/433860726.db2.gz AUKKKIZORJMLCS-SFHVURJKSA-N 2 2 300.450 3.377 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211256 433861131 /nfs/dbraw/zinc/86/11/31/433861131.db2.gz TUUWMUUXWBIQGZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211256 433861145 /nfs/dbraw/zinc/86/11/45/433861145.db2.gz TUUWMUUXWBIQGZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211256 433861156 /nfs/dbraw/zinc/86/11/56/433861156.db2.gz TUUWMUUXWBIQGZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211256 433861169 /nfs/dbraw/zinc/86/11/69/433861169.db2.gz TUUWMUUXWBIQGZ-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000414822234 433862539 /nfs/dbraw/zinc/86/25/39/433862539.db2.gz DKDMFXLBNIXDEF-QGZVFWFLSA-N 2 2 312.413 3.328 20 0 DGADLP COc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1OC(F)F ZINC000414826617 433863092 /nfs/dbraw/zinc/86/30/92/433863092.db2.gz FVBRKEBRAULJRQ-CQSZACIVSA-N 2 2 322.355 3.086 20 0 DGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000456849052 433864879 /nfs/dbraw/zinc/86/48/79/433864879.db2.gz VJXPFWWVMSUMQZ-SFHVURJKSA-N 2 2 315.461 3.112 20 0 DGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c[nH+]1 ZINC000456849052 433864883 /nfs/dbraw/zinc/86/48/83/433864883.db2.gz VJXPFWWVMSUMQZ-SFHVURJKSA-N 2 2 315.461 3.112 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000414831345 433866509 /nfs/dbraw/zinc/86/65/09/433866509.db2.gz NEEMGSATGIBHPP-HNNXBMFYSA-N 2 2 310.319 3.375 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000293793959 433870336 /nfs/dbraw/zinc/87/03/36/433870336.db2.gz MRRNKUQQDMUWHE-HUUCEWRRSA-N 2 2 311.385 3.069 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000293793959 433870346 /nfs/dbraw/zinc/87/03/46/433870346.db2.gz MRRNKUQQDMUWHE-HUUCEWRRSA-N 2 2 311.385 3.069 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000414836362 433871529 /nfs/dbraw/zinc/87/15/29/433871529.db2.gz UUYCORMZZUFRRQ-FOSCPWQOSA-N 2 2 315.244 3.375 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(C)c2)cc1 ZINC000414874310 433896786 /nfs/dbraw/zinc/89/67/86/433896786.db2.gz ASSIPXIXPAISLO-WOJBJXKFSA-N 2 2 310.441 3.239 20 0 DGADLP C[NH+](C)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000340045061 433897053 /nfs/dbraw/zinc/89/70/53/433897053.db2.gz FKGBMLWPUMHDLZ-UHFFFAOYSA-N 2 2 305.765 3.027 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000414881865 433901767 /nfs/dbraw/zinc/90/17/67/433901767.db2.gz AZCYPTSBYPXQNB-CYBMUJFWSA-N 2 2 313.426 3.383 20 0 DGADLP C[C@@]1(C[NH2+]Cc2c(F)cccc2Br)CCC[NH2+]C1 ZINC000414897943 433902703 /nfs/dbraw/zinc/90/27/03/433902703.db2.gz AHIXPJRBIWDHQB-CQSZACIVSA-N 2 2 315.230 3.068 20 0 DGADLP c1ccc(CCCOc2cccc(C[NH2+][C@@H]3CC[NH2+]C3)c2)cc1 ZINC000414893244 433905712 /nfs/dbraw/zinc/90/57/12/433905712.db2.gz YVPMKFUJTHQXCO-LJQANCHMSA-N 2 2 310.441 3.150 20 0 DGADLP C[C@H](C[NH3+])[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000414922693 433916926 /nfs/dbraw/zinc/91/69/26/433916926.db2.gz CWEDKHURGCXCCH-GFCCVEGCSA-N 2 2 320.868 3.260 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414923052 433917284 /nfs/dbraw/zinc/91/72/84/433917284.db2.gz DRXVXNGRPJAODH-INIZCTEOSA-N 2 2 301.409 3.242 20 0 DGADLP COc1ccc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000436254719 433917342 /nfs/dbraw/zinc/91/73/42/433917342.db2.gz USJUKOHATPPWBM-HNNXBMFYSA-N 2 2 313.445 3.309 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(-c2cccs2)n1 ZINC000414925714 433921404 /nfs/dbraw/zinc/92/14/04/433921404.db2.gz JGQGRTUYWSATNI-HNNXBMFYSA-N 2 2 318.490 3.016 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000352113451 433922717 /nfs/dbraw/zinc/92/27/17/433922717.db2.gz IZDOLWANKMXURF-MRXNPFEDSA-N 2 2 321.424 3.358 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414938154 433923526 /nfs/dbraw/zinc/92/35/26/433923526.db2.gz DXHYTYJCWSBIQX-YJBOKZPZSA-N 2 2 312.461 3.226 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]Cc2ccc(OC)nc2)[NH+](C)C)cc1 ZINC000436275412 433926859 /nfs/dbraw/zinc/92/68/59/433926859.db2.gz OTVAQPPUGNPBJH-GOSISDBHSA-N 2 2 313.445 3.045 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@H]3CCC[C@H]3[NH3+])cc2[nH+]1 ZINC000340118080 433928177 /nfs/dbraw/zinc/92/81/77/433928177.db2.gz ASHJQNURTTZWDL-TZMCWYRMSA-N 2 2 314.433 3.362 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293643 433929097 /nfs/dbraw/zinc/92/90/97/433929097.db2.gz OSNCFBJCEGJLHC-UHOSZYNNSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293643 433929108 /nfs/dbraw/zinc/92/91/08/433929108.db2.gz OSNCFBJCEGJLHC-UHOSZYNNSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293643 433929118 /nfs/dbraw/zinc/92/91/18/433929118.db2.gz OSNCFBJCEGJLHC-UHOSZYNNSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000436293643 433929133 /nfs/dbraw/zinc/92/91/33/433929133.db2.gz OSNCFBJCEGJLHC-UHOSZYNNSA-N 3 2 307.526 3.103 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2[nH+]1 ZINC000340120156 433932008 /nfs/dbraw/zinc/93/20/08/433932008.db2.gz HIYUBAUHKTXIOK-OCCSQVGLSA-N 2 2 314.433 3.219 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000285385195 433932264 /nfs/dbraw/zinc/93/22/64/433932264.db2.gz GZLJZIMUXHSMAT-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422635683 433933595 /nfs/dbraw/zinc/93/35/95/433933595.db2.gz LXNYYZWDQKACSM-MJBXVCDLSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422635683 433933598 /nfs/dbraw/zinc/93/35/98/433933598.db2.gz LXNYYZWDQKACSM-MJBXVCDLSA-N 2 2 318.440 3.001 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000422634844 433933779 /nfs/dbraw/zinc/93/37/79/433933779.db2.gz KHWNXXPZFOQKBL-DGAVXFQQSA-N 2 2 311.495 3.046 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000422634844 433933787 /nfs/dbraw/zinc/93/37/87/433933787.db2.gz KHWNXXPZFOQKBL-DGAVXFQQSA-N 2 2 311.495 3.046 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1C[NH3+] ZINC000422640944 433934291 /nfs/dbraw/zinc/93/42/91/433934291.db2.gz WPQKTQYQKBESNC-AGIUHOORSA-N 2 2 322.403 3.237 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@@H]1C[NH3+] ZINC000422640944 433934302 /nfs/dbraw/zinc/93/43/02/433934302.db2.gz WPQKTQYQKBESNC-AGIUHOORSA-N 2 2 322.403 3.237 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000414851474 433882743 /nfs/dbraw/zinc/88/27/43/433882743.db2.gz OWNNNGCMJONDOB-KRWDZBQOSA-N 2 2 314.477 3.459 20 0 DGADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414849663 433883607 /nfs/dbraw/zinc/88/36/07/433883607.db2.gz HNBKGLUHFHYWGB-DZGCQCFKSA-N 2 2 301.459 3.288 20 0 DGADLP COc1c(O)cccc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852688 433884406 /nfs/dbraw/zinc/88/44/06/433884406.db2.gz WJROKDIPQSDVRC-QGZVFWFLSA-N 2 2 314.429 3.314 20 0 DGADLP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000414865314 433890257 /nfs/dbraw/zinc/89/02/57/433890257.db2.gz KOWNHCXIWHSQNM-GOSISDBHSA-N 2 2 314.404 3.246 20 0 DGADLP Cc1ccc(C(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285560751 433992374 /nfs/dbraw/zinc/99/23/74/433992374.db2.gz RNQUTHNFPIYKCA-JWTNVVGKSA-N 2 2 300.446 3.125 20 0 DGADLP Cc1ccc(C(=O)CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285560751 433992384 /nfs/dbraw/zinc/99/23/84/433992384.db2.gz RNQUTHNFPIYKCA-JWTNVVGKSA-N 2 2 300.446 3.125 20 0 DGADLP Cc1ccc(C(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285560751 433992393 /nfs/dbraw/zinc/99/23/93/433992393.db2.gz RNQUTHNFPIYKCA-JWTNVVGKSA-N 2 2 300.446 3.125 20 0 DGADLP Cc1ccc(C(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285560751 433992400 /nfs/dbraw/zinc/99/24/00/433992400.db2.gz RNQUTHNFPIYKCA-JWTNVVGKSA-N 2 2 300.446 3.125 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422718172 433944477 /nfs/dbraw/zinc/94/44/77/433944477.db2.gz PGAZXEHAJPBRIM-LPTQZCDUSA-N 2 2 321.468 3.168 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)nc2c1 ZINC000422712603 433944642 /nfs/dbraw/zinc/94/46/42/433944642.db2.gz IPAAJOFRDQMOQT-HOTGVXAUSA-N 2 2 300.450 3.043 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414975630 433948237 /nfs/dbraw/zinc/94/82/37/433948237.db2.gz OYQIQYICLYZEMB-OAHLLOKOSA-N 2 2 319.449 3.427 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414975648 433948890 /nfs/dbraw/zinc/94/88/90/433948890.db2.gz OZWRQPASICQVGO-OAHLLOKOSA-N 2 2 301.459 3.288 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000285440068 433948898 /nfs/dbraw/zinc/94/88/98/433948898.db2.gz FPPBKBAZYZNLMO-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000285440068 433948905 /nfs/dbraw/zinc/94/89/05/433948905.db2.gz FPPBKBAZYZNLMO-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000285440068 433948912 /nfs/dbraw/zinc/94/89/12/433948912.db2.gz FPPBKBAZYZNLMO-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000285440068 433948924 /nfs/dbraw/zinc/94/89/24/433948924.db2.gz FPPBKBAZYZNLMO-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000422729586 433954869 /nfs/dbraw/zinc/95/48/69/433954869.db2.gz CAJITPFIEGXEBQ-LFGUQSLTSA-N 3 2 317.521 3.045 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414980096 433955004 /nfs/dbraw/zinc/95/50/04/433955004.db2.gz OYFQNXYOVJZVTK-INIZCTEOSA-N 2 2 319.836 3.141 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340177123 433958034 /nfs/dbraw/zinc/95/80/34/433958034.db2.gz LLTLKUYPDCGSOR-RBUKOAKNSA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340177123 433958047 /nfs/dbraw/zinc/95/80/47/433958047.db2.gz LLTLKUYPDCGSOR-RBUKOAKNSA-N 2 2 324.472 3.073 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC000436402210 433958592 /nfs/dbraw/zinc/95/85/92/433958592.db2.gz UQQZTBVLPJZNRB-CXAGYDPISA-N 2 2 319.880 3.304 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC000436402210 433958597 /nfs/dbraw/zinc/95/85/97/433958597.db2.gz UQQZTBVLPJZNRB-CXAGYDPISA-N 2 2 319.880 3.304 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414982709 433958750 /nfs/dbraw/zinc/95/87/50/433958750.db2.gz YYXATECQDUBENN-CYBMUJFWSA-N 2 2 307.488 3.349 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422735072 433959341 /nfs/dbraw/zinc/95/93/41/433959341.db2.gz VGTSVKHYEOMTJN-JRGCBEDISA-N 2 2 324.468 3.441 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422733044 433960176 /nfs/dbraw/zinc/96/01/76/433960176.db2.gz AQKXRLINKDKLIG-AKHDSKFASA-N 3 2 307.526 3.151 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422733044 433960182 /nfs/dbraw/zinc/96/01/82/433960182.db2.gz AQKXRLINKDKLIG-AKHDSKFASA-N 3 2 307.526 3.151 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340174477 433960494 /nfs/dbraw/zinc/96/04/94/433960494.db2.gz OPKCPJWHMFSMPO-QZTJIDSGSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340174477 433960504 /nfs/dbraw/zinc/96/05/04/433960504.db2.gz OPKCPJWHMFSMPO-QZTJIDSGSA-N 2 2 311.429 3.015 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)sc1Br ZINC000285475073 433962453 /nfs/dbraw/zinc/96/24/53/433962453.db2.gz ODJOUZUKBDTYBT-JTQLQIEISA-N 2 2 314.252 3.366 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285476443 433963284 /nfs/dbraw/zinc/96/32/84/433963284.db2.gz BEQOKXQJIZFXFE-UHFFFAOYSA-N 3 2 317.521 3.359 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285476443 433963292 /nfs/dbraw/zinc/96/32/92/433963292.db2.gz BEQOKXQJIZFXFE-UHFFFAOYSA-N 3 2 317.521 3.359 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422743669 433964760 /nfs/dbraw/zinc/96/47/60/433964760.db2.gz IWGQBIJMOHFTEQ-DBVUQKKJSA-N 3 2 315.505 3.332 20 0 DGADLP Cc1cccn2c(C[NH2+]C[C@@H]3Cc4ccccc4N(C)C3)c[nH+]c12 ZINC000436417671 433965853 /nfs/dbraw/zinc/96/58/53/433965853.db2.gz VLAACUKNSRERDU-INIZCTEOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000422749208 433970705 /nfs/dbraw/zinc/97/07/05/433970705.db2.gz XZXNEODYLSKSEF-HZPDHXFCSA-N 3 2 309.523 3.238 20 0 DGADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000422745409 433972739 /nfs/dbraw/zinc/97/27/39/433972739.db2.gz VAVIAUDWQZFMJN-PXNSSMCTSA-N 3 2 315.505 3.006 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000436471027 433973776 /nfs/dbraw/zinc/97/37/76/433973776.db2.gz PEAMQKPGCUGSQP-GMNCBBECSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000436471027 433973787 /nfs/dbraw/zinc/97/37/87/433973787.db2.gz PEAMQKPGCUGSQP-GMNCBBECSA-N 2 2 316.489 3.036 20 0 DGADLP C[C@H](NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422753767 433975698 /nfs/dbraw/zinc/97/56/98/433975698.db2.gz GJJHRGPCPOIECN-XKQJLSEDSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000422753767 433975706 /nfs/dbraw/zinc/97/57/06/433975706.db2.gz GJJHRGPCPOIECN-XKQJLSEDSA-N 2 2 309.885 3.063 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OCC ZINC000422758188 433978351 /nfs/dbraw/zinc/97/83/51/433978351.db2.gz NQDABKHAYMPLBZ-IIAWOOMASA-N 2 2 306.450 3.275 20 0 DGADLP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422764781 433981558 /nfs/dbraw/zinc/98/15/58/433981558.db2.gz QHNBZJWLSXKPJT-YRGRVCCFSA-N 2 2 316.367 3.203 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000352229069 433993167 /nfs/dbraw/zinc/99/31/67/433993167.db2.gz COVUZXXLDDBOKN-HNNXBMFYSA-N 2 2 307.397 3.299 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422772358 433986967 /nfs/dbraw/zinc/98/69/67/433986967.db2.gz XAZHNXIXTKJMIJ-ULQDDVLXSA-N 3 2 303.494 3.365 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000422775230 433987735 /nfs/dbraw/zinc/98/77/35/433987735.db2.gz ATDOQLDGGBDOII-JQHSSLGASA-N 2 2 304.478 3.099 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414953510 433936420 /nfs/dbraw/zinc/93/64/20/433936420.db2.gz LZOSBQPNVPGVFC-QAPCUYQASA-N 2 2 320.440 3.256 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000303392642 433937585 /nfs/dbraw/zinc/93/75/85/433937585.db2.gz DVRKYVDQRYMXIB-QFBILLFUSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000303392642 433937593 /nfs/dbraw/zinc/93/75/93/433937593.db2.gz DVRKYVDQRYMXIB-QFBILLFUSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422700787 433939252 /nfs/dbraw/zinc/93/92/52/433939252.db2.gz ARPRYNXSIXALLU-KSSFIOAISA-N 2 2 314.404 3.417 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422706991 433939408 /nfs/dbraw/zinc/93/94/08/433939408.db2.gz VOIPPTXUPMCLAO-CYBMUJFWSA-N 3 2 323.444 3.008 20 0 DGADLP C[C@H]1[C@H]([NH2+]CCC2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340243876 434009645 /nfs/dbraw/zinc/00/96/45/434009645.db2.gz VGMITONWJYJVBM-FXAWDEMLSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1[C@H]([NH2+]CCC2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340243876 434009654 /nfs/dbraw/zinc/00/96/54/434009654.db2.gz VGMITONWJYJVBM-FXAWDEMLSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000377832548 434012021 /nfs/dbraw/zinc/01/20/21/434012021.db2.gz SSJQNMAGBROVIQ-CQSZACIVSA-N 2 2 303.381 3.006 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841089 434016657 /nfs/dbraw/zinc/01/66/57/434016657.db2.gz YPMZCUVRDQSURY-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841089 434016665 /nfs/dbraw/zinc/01/66/65/434016665.db2.gz YPMZCUVRDQSURY-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841089 434016675 /nfs/dbraw/zinc/01/66/75/434016675.db2.gz YPMZCUVRDQSURY-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000377841089 434016679 /nfs/dbraw/zinc/01/66/79/434016679.db2.gz YPMZCUVRDQSURY-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422814536 434024748 /nfs/dbraw/zinc/02/47/48/434024748.db2.gz VIGJUIKYAFPGPB-SQNIBIBYSA-N 2 2 320.477 3.139 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000377890438 434028082 /nfs/dbraw/zinc/02/80/82/434028082.db2.gz VGQMJNTYGUZDQC-QGZVFWFLSA-N 2 2 311.429 3.198 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000377890438 434028090 /nfs/dbraw/zinc/02/80/90/434028090.db2.gz VGQMJNTYGUZDQC-QGZVFWFLSA-N 2 2 311.429 3.198 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(OC2CCCC2)c1 ZINC000422825523 434030916 /nfs/dbraw/zinc/03/09/16/434030916.db2.gz PWVUUPTUNGHXRL-KBXCAEBGSA-N 2 2 318.461 3.104 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281294 434033368 /nfs/dbraw/zinc/03/33/68/434033368.db2.gz OIPJOCKGMGVAMD-HOTGVXAUSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281294 434033372 /nfs/dbraw/zinc/03/33/72/434033372.db2.gz OIPJOCKGMGVAMD-HOTGVXAUSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000340281294 434033376 /nfs/dbraw/zinc/03/33/76/434033376.db2.gz OIPJOCKGMGVAMD-HOTGVXAUSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cscn2)C1 ZINC000340281294 434033380 /nfs/dbraw/zinc/03/33/80/434033380.db2.gz OIPJOCKGMGVAMD-HOTGVXAUSA-N 2 2 307.507 3.272 20 0 DGADLP Cc1ccc([C@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+]2CCCC2)cc1 ZINC000422828181 434034606 /nfs/dbraw/zinc/03/46/06/434034606.db2.gz NTZJSDUMTYXJSA-UZLBHIALSA-N 2 2 324.472 3.290 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N2CCCC2)cc1 ZINC000422828181 434034622 /nfs/dbraw/zinc/03/46/22/434034622.db2.gz NTZJSDUMTYXJSA-UZLBHIALSA-N 2 2 324.472 3.290 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC(C)C ZINC000422835819 434040447 /nfs/dbraw/zinc/04/04/47/434040447.db2.gz ZBWXYYHDPDTQFN-INDMIFKZSA-N 3 2 309.542 3.253 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422838574 434042688 /nfs/dbraw/zinc/04/26/88/434042688.db2.gz XNTXAMWSDDNLDW-UFYCRDLUSA-N 3 2 317.521 3.189 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422837797 434042841 /nfs/dbraw/zinc/04/28/41/434042841.db2.gz MVBSMSLTSFIIPS-VBSBHUPXSA-N 3 2 315.505 3.289 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837797 434042851 /nfs/dbraw/zinc/04/28/51/434042851.db2.gz MVBSMSLTSFIIPS-VBSBHUPXSA-N 3 2 315.505 3.289 20 0 DGADLP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccnc2)cc1 ZINC000422862842 434061434 /nfs/dbraw/zinc/06/14/34/434061434.db2.gz QNHTWRZYJKGXBP-SWDXFRIISA-N 2 2 311.404 3.183 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[NH2+]1 ZINC000414951672 293892101 /nfs/dbraw/zinc/89/21/01/293892101.db2.gz PXVPAXUKIVCETG-UONOGXRCSA-N 2 2 307.869 3.170 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414962063 293896295 /nfs/dbraw/zinc/89/62/95/293896295.db2.gz ZNNKOELDBCCLKZ-JOYOIKCWSA-N 2 2 303.233 3.232 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414962902 293896374 /nfs/dbraw/zinc/89/63/74/293896374.db2.gz SUWWFSWNSQUVNL-OAHLLOKOSA-N 2 2 314.477 3.257 20 0 DGADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422871000 434067824 /nfs/dbraw/zinc/06/78/24/434067824.db2.gz YGHCSVOUJMPNNZ-SJLPKXTDSA-N 2 2 320.477 3.031 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422875497 434069771 /nfs/dbraw/zinc/06/97/71/434069771.db2.gz OVFNDTHIDFHPMC-LLVKDONJSA-N 2 2 307.344 3.255 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422874489 434072983 /nfs/dbraw/zinc/07/29/83/434072983.db2.gz AFDJOYZHWUCSAQ-BEFAXECRSA-N 2 2 321.424 3.390 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302624 434075613 /nfs/dbraw/zinc/07/56/13/434075613.db2.gz PZKWPTBAVYCLMY-XJKSGUPXSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000294302624 434075622 /nfs/dbraw/zinc/07/56/22/434075622.db2.gz PZKWPTBAVYCLMY-XJKSGUPXSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000294302624 434075625 /nfs/dbraw/zinc/07/56/25/434075625.db2.gz PZKWPTBAVYCLMY-XJKSGUPXSA-N 2 2 320.864 3.494 20 0 DGADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1OCCC(C)C ZINC000422880336 434077454 /nfs/dbraw/zinc/07/74/54/434077454.db2.gz LSVLJWJSDXHFGF-NVXWUHKLSA-N 2 2 320.477 3.350 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353361687 434082962 /nfs/dbraw/zinc/08/29/62/434082962.db2.gz CEZMWFIOCOZXTP-UHFFFAOYSA-N 2 2 311.429 3.202 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353361687 434082969 /nfs/dbraw/zinc/08/29/69/434082969.db2.gz CEZMWFIOCOZXTP-UHFFFAOYSA-N 2 2 311.429 3.202 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306545030 434084031 /nfs/dbraw/zinc/08/40/31/434084031.db2.gz VLYGALORQLXYKP-HXUWFJFHSA-N 2 2 312.457 3.001 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306545030 434084038 /nfs/dbraw/zinc/08/40/38/434084038.db2.gz VLYGALORQLXYKP-HXUWFJFHSA-N 2 2 312.457 3.001 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000309870923 434100698 /nfs/dbraw/zinc/10/06/98/434100698.db2.gz GQNGBOKEDOPNKO-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000422891336 434088106 /nfs/dbraw/zinc/08/81/06/434088106.db2.gz VERHMPAMPKTZEA-OYGLOCFBSA-N 2 2 316.489 3.317 20 0 DGADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000285848752 434089332 /nfs/dbraw/zinc/08/93/32/434089332.db2.gz XUHVHRWHXKXSII-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CCC[N@@H+]1Cc1ccccc1 ZINC000340363557 434089341 /nfs/dbraw/zinc/08/93/41/434089341.db2.gz GITGYTBMICUMFX-JUSBFGHESA-N 2 2 314.473 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CCC[N@H+]1Cc1ccccc1 ZINC000340363557 434089349 /nfs/dbraw/zinc/08/93/49/434089349.db2.gz GITGYTBMICUMFX-JUSBFGHESA-N 2 2 314.473 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000340366648 434089708 /nfs/dbraw/zinc/08/97/08/434089708.db2.gz QRUBQWZWNIISME-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000340366648 434089715 /nfs/dbraw/zinc/08/97/15/434089715.db2.gz QRUBQWZWNIISME-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP COC(=O)c1cc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)oc1C ZINC000353378255 434091237 /nfs/dbraw/zinc/09/12/37/434091237.db2.gz GONBRPXXNPRZRG-UHFFFAOYSA-N 2 2 316.401 3.143 20 0 DGADLP COC(=O)c1cc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)oc1C ZINC000353378255 434091244 /nfs/dbraw/zinc/09/12/44/434091244.db2.gz GONBRPXXNPRZRG-UHFFFAOYSA-N 2 2 316.401 3.143 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372128 434091926 /nfs/dbraw/zinc/09/19/26/434091926.db2.gz MTYOKGRILNEXBV-RBUKOAKNSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372128 434091937 /nfs/dbraw/zinc/09/19/37/434091937.db2.gz MTYOKGRILNEXBV-RBUKOAKNSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372128 434091943 /nfs/dbraw/zinc/09/19/43/434091943.db2.gz MTYOKGRILNEXBV-RBUKOAKNSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372128 434091952 /nfs/dbraw/zinc/09/19/52/434091952.db2.gz MTYOKGRILNEXBV-RBUKOAKNSA-N 2 2 320.452 3.291 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000309870923 434100709 /nfs/dbraw/zinc/10/07/09/434100709.db2.gz GQNGBOKEDOPNKO-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161556 434096973 /nfs/dbraw/zinc/09/69/73/434096973.db2.gz RDDSDNPPAPRTQL-HSALFYBXSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161556 434096980 /nfs/dbraw/zinc/09/69/80/434096980.db2.gz RDDSDNPPAPRTQL-HSALFYBXSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161556 434096988 /nfs/dbraw/zinc/09/69/88/434096988.db2.gz RDDSDNPPAPRTQL-HSALFYBXSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161556 434096999 /nfs/dbraw/zinc/09/69/99/434096999.db2.gz RDDSDNPPAPRTQL-HSALFYBXSA-N 3 2 321.553 3.447 20 0 DGADLP Cc1cc(NCc2ccn3cc[nH+]c3c2)c2cc(F)ccc2[nH+]1 ZINC000357507225 434052047 /nfs/dbraw/zinc/05/20/47/434052047.db2.gz XAHWXLAAALCYBQ-UHFFFAOYSA-N 2 2 306.344 3.364 20 0 DGADLP C[C@H]1[C@@H]([NH2+]CC2(CCO)CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340305168 434052659 /nfs/dbraw/zinc/05/26/59/434052659.db2.gz JFHKTQFZYOOYQM-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1[C@@H]([NH2+]CC2(CCO)CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340305168 434052673 /nfs/dbraw/zinc/05/26/73/434052673.db2.gz JFHKTQFZYOOYQM-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000305170967 434053930 /nfs/dbraw/zinc/05/39/30/434053930.db2.gz ZRSXDINSMVBJET-ABAIWWIYSA-N 2 2 317.260 3.101 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422860837 434060078 /nfs/dbraw/zinc/06/00/78/434060078.db2.gz LWRHJJQVEVOURJ-UTKZUKDTSA-N 2 2 324.468 3.491 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422914051 434108276 /nfs/dbraw/zinc/10/82/76/434108276.db2.gz ZYNSSJUTEADBCD-NCXUSEDFSA-N 3 2 321.553 3.397 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422914051 434108287 /nfs/dbraw/zinc/10/82/87/434108287.db2.gz ZYNSSJUTEADBCD-NCXUSEDFSA-N 3 2 321.553 3.397 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422917363 434108430 /nfs/dbraw/zinc/10/84/30/434108430.db2.gz DKBGUPHEZLZUEY-SQNIBIBYSA-N 2 2 300.377 3.248 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422917361 434108991 /nfs/dbraw/zinc/10/89/91/434108991.db2.gz DKBGUPHEZLZUEY-KSZLIROESA-N 2 2 300.377 3.248 20 0 DGADLP c1cn(Cc2ccc(NCc3ccc(C4CC4)cc3)[nH+]c2)c[nH+]1 ZINC000459548019 293981862 /nfs/dbraw/zinc/98/18/62/293981862.db2.gz LGZUPOJATUQMEI-UHFFFAOYSA-N 2 2 304.397 3.238 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c2)[nH+]c1C ZINC000378211203 434110488 /nfs/dbraw/zinc/11/04/88/434110488.db2.gz OXOMLGXWEQAURA-CQSZACIVSA-N 2 2 300.406 3.005 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422926238 434111096 /nfs/dbraw/zinc/11/10/96/434111096.db2.gz CIPZBVWUJPDBHZ-PXNSSMCTSA-N 3 2 317.521 3.176 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422926238 434111108 /nfs/dbraw/zinc/11/11/08/434111108.db2.gz CIPZBVWUJPDBHZ-PXNSSMCTSA-N 3 2 317.521 3.176 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652262 434112044 /nfs/dbraw/zinc/11/20/44/434112044.db2.gz UADYPJRYTZUWIN-KRWDZBQOSA-N 2 2 310.869 3.180 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652262 434112054 /nfs/dbraw/zinc/11/20/54/434112054.db2.gz UADYPJRYTZUWIN-KRWDZBQOSA-N 2 2 310.869 3.180 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000422925330 434113757 /nfs/dbraw/zinc/11/37/57/434113757.db2.gz BKTRTWIOQAZPEI-JTNHKYCSSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1c[nH+]ccc1N ZINC000422922506 434114629 /nfs/dbraw/zinc/11/46/29/434114629.db2.gz SYUWLSNPRUGEMV-SECBINFHSA-N 2 2 311.307 3.085 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000346099584 434116860 /nfs/dbraw/zinc/11/68/60/434116860.db2.gz SCBWZCNRCOWATD-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000346099584 434116869 /nfs/dbraw/zinc/11/68/69/434116869.db2.gz SCBWZCNRCOWATD-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CC[C@@H](C[NH+]4CCCC4)C3)c21 ZINC000450347837 434117676 /nfs/dbraw/zinc/11/76/76/434117676.db2.gz QINSIDROYITPOS-AWEZNQCLSA-N 2 2 321.428 3.033 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000340423985 434124684 /nfs/dbraw/zinc/12/46/84/434124684.db2.gz HHHIFSCFNBPAOA-UHFFFAOYSA-N 2 2 316.445 3.313 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000340423985 434124692 /nfs/dbraw/zinc/12/46/92/434124692.db2.gz HHHIFSCFNBPAOA-UHFFFAOYSA-N 2 2 316.445 3.313 20 0 DGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC1(C)COC1 ZINC000503218562 294188949 /nfs/dbraw/zinc/18/89/49/294188949.db2.gz DCJVMXBNQOIBGU-GOSISDBHSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC1(C)COC1 ZINC000503218562 294188953 /nfs/dbraw/zinc/18/89/53/294188953.db2.gz DCJVMXBNQOIBGU-GOSISDBHSA-N 2 2 316.489 3.086 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000422945967 434125874 /nfs/dbraw/zinc/12/58/74/434125874.db2.gz NZWMHHMXWNCKNB-MNOVXSKESA-N 2 2 303.269 3.260 20 0 DGADLP COCC1(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000340442362 434130253 /nfs/dbraw/zinc/13/02/53/434130253.db2.gz ZBQJWQYXEPJWQH-IBGZPJMESA-N 2 2 316.489 3.447 20 0 DGADLP COCC1(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000340442362 434130259 /nfs/dbraw/zinc/13/02/59/434130259.db2.gz ZBQJWQYXEPJWQH-IBGZPJMESA-N 2 2 316.489 3.447 20 0 DGADLP c1cn(-c2ccc(CN3CC[NH2+]C[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000313364302 434131359 /nfs/dbraw/zinc/13/13/59/434131359.db2.gz NFTDQRFXTWNZPZ-FQEVSTJZSA-N 2 2 318.424 3.019 20 0 DGADLP CC[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509671717 294361046 /nfs/dbraw/zinc/36/10/46/294361046.db2.gz GNJSQJGDKUHAGX-SFHVURJKSA-N 2 2 301.478 3.073 20 0 DGADLP CC[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509671717 294361048 /nfs/dbraw/zinc/36/10/48/294361048.db2.gz GNJSQJGDKUHAGX-SFHVURJKSA-N 2 2 301.478 3.073 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)c1 ZINC000510470107 294384653 /nfs/dbraw/zinc/38/46/53/294384653.db2.gz UIBCZXUNEULWCC-IHWYPQMZSA-N 2 2 311.404 3.365 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000363758108 434136047 /nfs/dbraw/zinc/13/60/47/434136047.db2.gz OOQJJDAQAHMOJB-PBHICJAKSA-N 2 2 313.445 3.298 20 0 DGADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422962771 434144714 /nfs/dbraw/zinc/14/47/14/434144714.db2.gz DETSPJJSBRACLJ-FXAWDEMLSA-N 3 2 315.505 3.006 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3CC)cc2[nH+]1 ZINC000353461477 434149702 /nfs/dbraw/zinc/14/97/02/434149702.db2.gz RELGXDHTEWDOEO-ZIAGYGMSSA-N 2 2 314.433 3.232 20 0 DGADLP CCc1nc(NCc2ccccc2Cn2cc[nH+]c2)cc(C)[nH+]1 ZINC000286075963 434154361 /nfs/dbraw/zinc/15/43/61/434154361.db2.gz JKLOPKVLCHCMQS-UHFFFAOYSA-N 2 2 307.401 3.204 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccncc2F)[C@@H](C)C1 ZINC000340475991 434154793 /nfs/dbraw/zinc/15/47/93/434154793.db2.gz DSOOYSYTGGDIPU-DAYGRLMNSA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccncc2F)[C@@H](C)C1 ZINC000340475991 434154801 /nfs/dbraw/zinc/15/48/01/434154801.db2.gz DSOOYSYTGGDIPU-DAYGRLMNSA-N 2 2 323.456 3.008 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC000340487739 434158523 /nfs/dbraw/zinc/15/85/23/434158523.db2.gz MRCTXZBPUMEXQH-UHFFFAOYSA-N 2 2 300.368 3.456 20 0 DGADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cccnc1 ZINC000363854038 434170393 /nfs/dbraw/zinc/17/03/93/434170393.db2.gz LPXRUHURAWMNMK-KRWDZBQOSA-N 2 2 307.401 3.293 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353495144 434173480 /nfs/dbraw/zinc/17/34/80/434173480.db2.gz MYNGQRLMESRCFI-WMLDXEAASA-N 2 2 318.440 3.348 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353495144 434173492 /nfs/dbraw/zinc/17/34/92/434173492.db2.gz MYNGQRLMESRCFI-WMLDXEAASA-N 2 2 318.440 3.348 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000340515231 434174316 /nfs/dbraw/zinc/17/43/16/434174316.db2.gz OERGMPSUGVPIPD-QXCFHYIPSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000340515231 434174329 /nfs/dbraw/zinc/17/43/29/434174329.db2.gz OERGMPSUGVPIPD-QXCFHYIPSA-N 2 2 314.473 3.054 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCCOC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423036438 434175087 /nfs/dbraw/zinc/17/50/87/434175087.db2.gz UARFKASTMKNCSF-RBUKOAKNSA-N 2 2 320.477 3.283 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423034091 434175833 /nfs/dbraw/zinc/17/58/33/434175833.db2.gz XFWFMHWVWZLERH-NHYWBVRUSA-N 2 2 317.260 3.098 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCCOC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423036440 434177680 /nfs/dbraw/zinc/17/76/80/434177680.db2.gz UARFKASTMKNCSF-RTBURBONSA-N 2 2 320.477 3.283 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000423043134 434182248 /nfs/dbraw/zinc/18/22/48/434182248.db2.gz NJEDIBHASVZEMD-OTWHNJEPSA-N 2 2 318.461 3.037 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1c[nH+]ccc1N ZINC000423047437 434187677 /nfs/dbraw/zinc/18/76/77/434187677.db2.gz VIHRDOCYNATSFO-HNNXBMFYSA-N 2 2 310.445 3.335 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1c2ccccc2CCC[C@@H]1C ZINC000423056280 434190738 /nfs/dbraw/zinc/19/07/38/434190738.db2.gz XXFJNIQBXQXBOE-MGTHKWJCSA-N 2 2 302.462 3.057 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423052809 434193141 /nfs/dbraw/zinc/19/31/41/434193141.db2.gz RFOFGUDWGJNQTQ-ZUZCIYMTSA-N 2 2 322.250 3.018 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)CC2 ZINC000423058777 434196784 /nfs/dbraw/zinc/19/67/84/434196784.db2.gz DBSXHNJIDQBLRM-DKSSEZFCSA-N 2 2 302.462 3.154 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061403 434198618 /nfs/dbraw/zinc/19/86/18/434198618.db2.gz KQMKDWSXXFXOSA-XUVXKRRUSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000423061403 434198626 /nfs/dbraw/zinc/19/86/26/434198626.db2.gz KQMKDWSXXFXOSA-XUVXKRRUSA-N 3 2 315.505 3.004 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286224728 434199068 /nfs/dbraw/zinc/19/90/68/434199068.db2.gz SNXMHZZBYKBXHX-IFIJOSMWSA-N 2 2 318.461 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286224728 434199079 /nfs/dbraw/zinc/19/90/79/434199079.db2.gz SNXMHZZBYKBXHX-IFIJOSMWSA-N 2 2 318.461 3.146 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522001 434200127 /nfs/dbraw/zinc/20/01/27/434200127.db2.gz RIINUZZWPFDBGK-IHJVYAAUSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353522001 434200137 /nfs/dbraw/zinc/20/01/37/434200137.db2.gz RIINUZZWPFDBGK-IHJVYAAUSA-N 3 2 315.505 3.284 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2(SC)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080624 434209636 /nfs/dbraw/zinc/20/96/36/434209636.db2.gz BXWJEJWQIUKTMU-SJORKVTESA-N 2 2 320.502 3.364 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423089926 434212628 /nfs/dbraw/zinc/21/26/28/434212628.db2.gz WFMBROUMJWXJDX-OSGQAZFXSA-N 2 2 302.462 3.228 20 0 DGADLP Fc1cc(-c2ccco2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423089008 434214069 /nfs/dbraw/zinc/21/40/69/434214069.db2.gz UFLAGIILKJJJAU-XYPWUTKMSA-N 2 2 300.377 3.458 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357759108 434166290 /nfs/dbraw/zinc/16/62/90/434166290.db2.gz UFYWKKMEFFYZCD-MRXNPFEDSA-N 2 2 320.440 3.442 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1c[nH+]ccc1N ZINC000423131245 434240280 /nfs/dbraw/zinc/24/02/80/434240280.db2.gz HRQKDRYVGMRIAS-SECBINFHSA-N 2 2 311.307 3.085 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423140861 434243901 /nfs/dbraw/zinc/24/39/01/434243901.db2.gz ZMPJGJZTDPLMII-VIFPVBQESA-N 2 2 309.335 3.117 20 0 DGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423149588 434249688 /nfs/dbraw/zinc/24/96/88/434249688.db2.gz XVIMDCWCWSLRIF-XJKSGUPXSA-N 3 2 318.852 3.133 20 0 DGADLP CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000321396347 434250224 /nfs/dbraw/zinc/25/02/24/434250224.db2.gz PGTXGEAMSOLTJX-MOPGFXCFSA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000321396347 434250235 /nfs/dbraw/zinc/25/02/35/434250235.db2.gz PGTXGEAMSOLTJX-MOPGFXCFSA-N 2 2 318.461 3.071 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000423156775 434253895 /nfs/dbraw/zinc/25/38/95/434253895.db2.gz LMINEJGUOYWPBF-IZIWTHDTSA-N 2 2 309.251 3.050 20 0 DGADLP C[C@H]([NH2+]C/C=C/c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423158020 434254049 /nfs/dbraw/zinc/25/40/49/434254049.db2.gz NOFGNEWOXAMEJE-NZIPDGCLSA-N 2 2 309.251 3.192 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000321720349 434256404 /nfs/dbraw/zinc/25/64/04/434256404.db2.gz ZINMLTGOYQCBHY-RZAIGCCYSA-N 2 2 312.413 3.499 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000423160896 434257884 /nfs/dbraw/zinc/25/78/84/434257884.db2.gz RELHASVLEMGAAE-WTLGNFPFSA-N 2 2 310.441 3.447 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)c2ccccc21 ZINC000423165462 434258096 /nfs/dbraw/zinc/25/80/96/434258096.db2.gz XYYFTLPSQNVZNV-UONOGXRCSA-N 2 2 307.319 3.335 20 0 DGADLP Cc1cc(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nc[nH+]1 ZINC000346740193 434258492 /nfs/dbraw/zinc/25/84/92/434258492.db2.gz GZZDCESNEAPBNO-HZPDHXFCSA-N 2 2 324.472 3.875 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(C(C)C)n1)c1ccco1 ZINC000346938657 434263315 /nfs/dbraw/zinc/26/33/15/434263315.db2.gz NHVYFYQDMDVLKZ-AWEZNQCLSA-N 2 2 302.422 3.688 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000423178570 434266890 /nfs/dbraw/zinc/26/68/90/434266890.db2.gz LBPGOPMJLWFBTA-GFCCVEGCSA-N 2 2 310.413 3.155 20 0 DGADLP CSc1cccc([C@H]([NH2+]CC[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423177055 434267162 /nfs/dbraw/zinc/26/71/62/434267162.db2.gz DPFPPKAYXBVHCK-INIZCTEOSA-N 2 2 308.397 3.324 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000423185464 434270597 /nfs/dbraw/zinc/27/05/97/434270597.db2.gz JMRFJNNCERWRLD-GDBMZVCRSA-N 2 2 306.450 3.277 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000423189093 434272733 /nfs/dbraw/zinc/27/27/33/434272733.db2.gz MFXXSVMRALYTDN-KGLIPLIRSA-N 2 2 315.230 3.381 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000381757197 434274551 /nfs/dbraw/zinc/27/45/51/434274551.db2.gz GXMYEUGQOAHTNX-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000381757197 434274558 /nfs/dbraw/zinc/27/45/58/434274558.db2.gz GXMYEUGQOAHTNX-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000423196416 434274812 /nfs/dbraw/zinc/27/48/12/434274812.db2.gz VGVZEVUKBKKMTH-QZTJIDSGSA-N 2 2 315.848 3.360 20 0 DGADLP C[NH2+]CCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423197665 434279315 /nfs/dbraw/zinc/27/93/15/434279315.db2.gz ALHSOFUIASUPGC-HNNXBMFYSA-N 2 2 323.234 3.331 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358004840 434281301 /nfs/dbraw/zinc/28/13/01/434281301.db2.gz LCKPIUJDHBPQEQ-VDGAXYAQSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358004840 434281308 /nfs/dbraw/zinc/28/13/08/434281308.db2.gz LCKPIUJDHBPQEQ-VDGAXYAQSA-N 2 2 316.489 3.084 20 0 DGADLP Cc1ccc(CCC[N@H+](C)CCCC(=O)OC(C)(C)C)c[nH+]1 ZINC000353625305 434283631 /nfs/dbraw/zinc/28/36/31/434283631.db2.gz ODDGHHAGHYQQLA-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)CCCC(=O)OC(C)(C)C)c[nH+]1 ZINC000353625305 434283635 /nfs/dbraw/zinc/28/36/35/434283635.db2.gz ODDGHHAGHYQQLA-UHFFFAOYSA-N 2 2 306.450 3.376 20 0 DGADLP Cc1cc(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000328302983 434285010 /nfs/dbraw/zinc/28/50/10/434285010.db2.gz XWWQIBGAEZMJID-SJORKVTESA-N 2 2 310.445 3.087 20 0 DGADLP CC[C@@H](COC)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009969 434286284 /nfs/dbraw/zinc/28/62/84/434286284.db2.gz WZURPASXRITXDA-OALUTQOASA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@@H](COC)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009969 434286295 /nfs/dbraw/zinc/28/62/95/434286295.db2.gz WZURPASXRITXDA-OALUTQOASA-N 2 2 304.478 3.084 20 0 DGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000423206772 434287229 /nfs/dbraw/zinc/28/72/29/434287229.db2.gz CXIVGKUZAMJOTQ-CABCVRRESA-N 2 2 311.267 3.488 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](Cn2cccn2)C(C)C)cc1 ZINC000423233004 434297490 /nfs/dbraw/zinc/29/74/90/434297490.db2.gz DBLSHUQZOWUOFI-RTBURBONSA-N 2 2 314.477 3.321 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000423232003 434297598 /nfs/dbraw/zinc/29/75/98/434297598.db2.gz BRMWWXLWRRGETI-AHRSYUTCSA-N 2 2 310.441 3.444 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1cnn(C)c1 ZINC000423232371 434301568 /nfs/dbraw/zinc/30/15/68/434301568.db2.gz CACDHGZXZDUXRE-MSOLQXFVSA-N 2 2 300.450 3.284 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000423232004 434301690 /nfs/dbraw/zinc/30/16/90/434301690.db2.gz BRMWWXLWRRGETI-DBVUQKKJSA-N 2 2 310.441 3.444 20 0 DGADLP C[C@@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc21 ZINC000423238963 434305256 /nfs/dbraw/zinc/30/52/56/434305256.db2.gz VQOMCKKWWBTFAQ-RDTXWAMCSA-N 2 2 308.429 3.152 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423247174 434308045 /nfs/dbraw/zinc/30/80/45/434308045.db2.gz QEXMYEFQDXXGQS-ROUUACIJSA-N 2 2 312.413 3.199 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CCCC[NH2+]1 ZINC000386574176 434312626 /nfs/dbraw/zinc/31/26/26/434312626.db2.gz MQQHWWGITNZJHO-KOLCDFICSA-N 2 2 303.269 3.131 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423253344 434315986 /nfs/dbraw/zinc/31/59/86/434315986.db2.gz ZAUSLGPFPILKHL-KSSFIOAISA-N 2 2 300.450 3.377 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000423258803 434320705 /nfs/dbraw/zinc/32/07/05/434320705.db2.gz CLLYCFGVWHIKCE-GUYCJALGSA-N 2 2 306.450 3.262 20 0 DGADLP Cc1ccc2ccccc2c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340721771 434321747 /nfs/dbraw/zinc/32/17/47/434321747.db2.gz WFHNGJIUXAMTIP-UHFFFAOYSA-N 2 2 320.440 3.204 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)CN1Cc1ccccc1 ZINC000423262435 434325095 /nfs/dbraw/zinc/32/50/95/434325095.db2.gz MMOZCCHJTWDZJC-UXPWSPDFSA-N 2 2 315.505 3.147 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]c2ccccc12 ZINC000340732701 434329340 /nfs/dbraw/zinc/32/93/40/434329340.db2.gz BANIOVAKKMUXIC-UHFFFAOYSA-N 2 2 302.381 3.427 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000353677709 434330899 /nfs/dbraw/zinc/33/08/99/434330899.db2.gz ZFGVVJCLGJFVEB-HKUYNNGSSA-N 2 2 323.440 3.366 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Oc1cccnc1 ZINC000353677709 434330911 /nfs/dbraw/zinc/33/09/11/434330911.db2.gz ZFGVVJCLGJFVEB-HKUYNNGSSA-N 2 2 323.440 3.366 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423332708 434363954 /nfs/dbraw/zinc/36/39/54/434363954.db2.gz RDJMVPUIDGIIIP-JRKPZEMJSA-N 2 2 315.280 3.169 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000358173518 434364084 /nfs/dbraw/zinc/36/40/84/434364084.db2.gz VJZIOGHSKQFHFW-SUMWQHHRSA-N 2 2 308.853 3.028 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423329291 434365350 /nfs/dbraw/zinc/36/53/50/434365350.db2.gz LDNPMJFSBKFKSA-HNNXBMFYSA-N 2 2 317.260 3.270 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000390672794 434366061 /nfs/dbraw/zinc/36/60/61/434366061.db2.gz SNHARZNEVMPFBK-FHWLQOOXSA-N 3 2 315.505 3.147 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000390672794 434366069 /nfs/dbraw/zinc/36/60/69/434366069.db2.gz SNHARZNEVMPFBK-FHWLQOOXSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390757660 434366609 /nfs/dbraw/zinc/36/66/09/434366609.db2.gz XHIFIHMAZYOQTG-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390757660 434366619 /nfs/dbraw/zinc/36/66/19/434366619.db2.gz XHIFIHMAZYOQTG-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423333164 434366862 /nfs/dbraw/zinc/36/68/62/434366862.db2.gz RDJMVPUIDGIIIP-KKFJDGPESA-N 2 2 315.280 3.169 20 0 DGADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C)C[NH3+])s2)cc1 ZINC000423341490 434370134 /nfs/dbraw/zinc/37/01/34/434370134.db2.gz XWSCOCMXPAWPDO-GHMZBOCLSA-N 2 2 305.447 3.125 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1csc(-c2ccccc2F)n1 ZINC000423340501 434371067 /nfs/dbraw/zinc/37/10/67/434371067.db2.gz XGIDSIWQOHBUJO-LLVKDONJSA-N 2 2 305.422 3.481 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCCO2 ZINC000423378935 434391787 /nfs/dbraw/zinc/39/17/87/434391787.db2.gz GEFCORPDVGXEAW-KDOFPFPSSA-N 2 2 318.461 3.277 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353735132 434377940 /nfs/dbraw/zinc/37/79/40/434377940.db2.gz HFIDZLYNNHIJPW-CYBMUJFWSA-N 2 2 319.474 3.126 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353735132 434377944 /nfs/dbraw/zinc/37/79/44/434377944.db2.gz HFIDZLYNNHIJPW-CYBMUJFWSA-N 2 2 319.474 3.126 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000358214368 434386434 /nfs/dbraw/zinc/38/64/34/434386434.db2.gz CDGOUIXYDAISQG-OGWHTMIXSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000358214368 434386442 /nfs/dbraw/zinc/38/64/42/434386442.db2.gz CDGOUIXYDAISQG-OGWHTMIXSA-N 2 2 302.462 3.084 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000423374010 434392030 /nfs/dbraw/zinc/39/20/30/434392030.db2.gz CDCPWBAUAJIISY-SMDDNHRTSA-N 2 2 311.857 3.172 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423363648 434387315 /nfs/dbraw/zinc/38/73/15/434387315.db2.gz UTQSZBOWLAKQLV-OAHLLOKOSA-N 3 2 318.424 3.326 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000423381387 434388911 /nfs/dbraw/zinc/38/89/11/434388911.db2.gz ZPMAOGVHAUFGSH-QITLCBANSA-N 2 2 317.383 3.156 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c(C)c1OC ZINC000353686332 434339052 /nfs/dbraw/zinc/33/90/52/434339052.db2.gz XBNZEZZFPULYSH-DZKIICNBSA-N 2 2 306.450 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1OC ZINC000353686332 434339060 /nfs/dbraw/zinc/33/90/60/434339060.db2.gz XBNZEZZFPULYSH-DZKIICNBSA-N 2 2 306.450 3.146 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358122516 434340210 /nfs/dbraw/zinc/34/02/10/434340210.db2.gz FURJSYCDNIDQSO-KKXDTOCCSA-N 2 2 300.446 3.145 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358122516 434340217 /nfs/dbraw/zinc/34/02/17/434340217.db2.gz FURJSYCDNIDQSO-KKXDTOCCSA-N 2 2 300.446 3.145 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146158 434344236 /nfs/dbraw/zinc/34/42/36/434344236.db2.gz FEQQUIIQDLRYMH-OALUTQOASA-N 2 2 302.462 3.108 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146158 434344243 /nfs/dbraw/zinc/34/42/43/434344243.db2.gz FEQQUIIQDLRYMH-OALUTQOASA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146158 434344249 /nfs/dbraw/zinc/34/42/49/434344249.db2.gz FEQQUIIQDLRYMH-OALUTQOASA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146158 434344258 /nfs/dbraw/zinc/34/42/58/434344258.db2.gz FEQQUIIQDLRYMH-OALUTQOASA-N 2 2 302.462 3.108 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423296997 434348481 /nfs/dbraw/zinc/34/84/81/434348481.db2.gz IHTUINUBLBNCMN-ZGXWSNOMSA-N 3 2 315.505 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423296997 434348493 /nfs/dbraw/zinc/34/84/93/434348493.db2.gz IHTUINUBLBNCMN-ZGXWSNOMSA-N 3 2 315.505 3.004 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423318490 434356925 /nfs/dbraw/zinc/35/69/25/434356925.db2.gz BUFTXDNNYSZNID-CYBMUJFWSA-N 2 2 314.857 3.014 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000423321441 434357140 /nfs/dbraw/zinc/35/71/40/434357140.db2.gz HNIBMGDUZPCUAZ-MLGOLLRUSA-N 2 2 319.246 3.475 20 0 DGADLP CO[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(C)C ZINC000417328526 434357609 /nfs/dbraw/zinc/35/76/09/434357609.db2.gz CGQYZMMILCAMOD-AWEZNQCLSA-N 2 2 310.404 3.054 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423318491 434358932 /nfs/dbraw/zinc/35/89/32/434358932.db2.gz BUFTXDNNYSZNID-ZDUSSCGKSA-N 2 2 314.857 3.014 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423482041 434445955 /nfs/dbraw/zinc/44/59/55/434445955.db2.gz XNVQFOWIDGTXGV-BTHPGYMESA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423482041 434445962 /nfs/dbraw/zinc/44/59/62/434445962.db2.gz XNVQFOWIDGTXGV-BTHPGYMESA-N 3 2 315.505 3.147 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000366540389 434447607 /nfs/dbraw/zinc/44/76/07/434447607.db2.gz ZOOGDKRULUFYBI-VMBOVVBDSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)CC2)n1 ZINC000366540389 434447616 /nfs/dbraw/zinc/44/76/16/434447616.db2.gz ZOOGDKRULUFYBI-VMBOVVBDSA-N 2 2 318.465 3.011 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423385275 434394249 /nfs/dbraw/zinc/39/42/49/434394249.db2.gz ILUBSOGVDPIPHP-SDBXPKJASA-N 2 2 317.658 3.287 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]1 ZINC000423385917 434396165 /nfs/dbraw/zinc/39/61/65/434396165.db2.gz RKOVRJYCRSUKNQ-DWQUBVKVSA-N 2 2 317.383 3.179 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]CC[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000438082878 434397740 /nfs/dbraw/zinc/39/77/40/434397740.db2.gz WGDDUHKONLXUEG-APWZRJJASA-N 2 2 320.477 3.094 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749209 434397659 /nfs/dbraw/zinc/39/76/59/434397659.db2.gz UYYKIKUESKTTNO-ZFWWWQNUSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749209 434397665 /nfs/dbraw/zinc/39/76/65/434397665.db2.gz UYYKIKUESKTTNO-ZFWWWQNUSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749209 434397673 /nfs/dbraw/zinc/39/76/73/434397673.db2.gz UYYKIKUESKTTNO-ZFWWWQNUSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749209 434397678 /nfs/dbraw/zinc/39/76/78/434397678.db2.gz UYYKIKUESKTTNO-ZFWWWQNUSA-N 2 2 320.868 3.292 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423386471 434398572 /nfs/dbraw/zinc/39/85/72/434398572.db2.gz LFZVONVGCBHZDZ-OCCSQVGLSA-N 2 2 307.507 3.451 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cccn2)cc1 ZINC000423392829 434401229 /nfs/dbraw/zinc/40/12/29/434401229.db2.gz QSGQIQQVKAIFDF-YJBOKZPZSA-N 2 2 312.461 3.301 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423397738 434402036 /nfs/dbraw/zinc/40/20/36/434402036.db2.gz UXWBNVFGYZGJFY-DYVFJYSZSA-N 2 2 306.450 3.133 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000423487866 434448033 /nfs/dbraw/zinc/44/80/33/434448033.db2.gz XZBMNEICXOKWQC-JXFKEZNVSA-N 2 2 309.457 3.330 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000423487866 434448042 /nfs/dbraw/zinc/44/80/42/434448042.db2.gz XZBMNEICXOKWQC-JXFKEZNVSA-N 2 2 309.457 3.330 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117625 434413021 /nfs/dbraw/zinc/41/30/21/434413021.db2.gz OZLNNHBRFITWRZ-CZUORRHYSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117625 434413030 /nfs/dbraw/zinc/41/30/30/434413030.db2.gz OZLNNHBRFITWRZ-CZUORRHYSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117625 434413039 /nfs/dbraw/zinc/41/30/39/434413039.db2.gz OZLNNHBRFITWRZ-CZUORRHYSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)CC[C@H]21 ZINC000438117625 434413043 /nfs/dbraw/zinc/41/30/43/434413043.db2.gz OZLNNHBRFITWRZ-CZUORRHYSA-N 2 2 316.474 3.054 20 0 DGADLP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000438117800 434415049 /nfs/dbraw/zinc/41/50/49/434415049.db2.gz MAKGCBCGGJTKNO-AZUAARDMSA-N 2 2 324.472 3.038 20 0 DGADLP COc1ccncc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000287634985 434416995 /nfs/dbraw/zinc/41/69/95/434416995.db2.gz FXYPXSVHDVLUTN-AWEZNQCLSA-N 2 2 322.412 3.435 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423416870 434417109 /nfs/dbraw/zinc/41/71/09/434417109.db2.gz RKRAJDRDOKKWPY-LPHOPBHVSA-N 2 2 320.477 3.285 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879466 434422205 /nfs/dbraw/zinc/42/22/05/434422205.db2.gz GVGGIGZNTSUQFA-PKOBYXMFSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879466 434422213 /nfs/dbraw/zinc/42/22/13/434422213.db2.gz GVGGIGZNTSUQFA-PKOBYXMFSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395887144 434422753 /nfs/dbraw/zinc/42/27/53/434422753.db2.gz JONVUHUHUNHDMR-XYJFISCASA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395887144 434422758 /nfs/dbraw/zinc/42/27/58/434422758.db2.gz JONVUHUHUNHDMR-XYJFISCASA-N 2 2 310.445 3.038 20 0 DGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423438534 434426237 /nfs/dbraw/zinc/42/62/37/434426237.db2.gz UYXPKBDWZRIGMC-BXUZGUMPSA-N 2 2 302.871 3.211 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000353783991 434431055 /nfs/dbraw/zinc/43/10/55/434431055.db2.gz YCIUUABUDSWYRA-CQSZACIVSA-N 2 2 310.869 3.103 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000423456817 434433428 /nfs/dbraw/zinc/43/34/28/434433428.db2.gz DUGNZSUOLHUTQD-CMPLNLGQSA-N 2 2 315.280 3.313 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1C[NH3+] ZINC000397344984 434438151 /nfs/dbraw/zinc/43/81/51/434438151.db2.gz GCFIIKQHOURVSL-HZSPNIEDSA-N 2 2 316.474 3.010 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1C[NH3+] ZINC000397344984 434438158 /nfs/dbraw/zinc/43/81/58/434438158.db2.gz GCFIIKQHOURVSL-HZSPNIEDSA-N 2 2 316.474 3.010 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423496879 434459156 /nfs/dbraw/zinc/45/91/56/434459156.db2.gz FRZCSFXHXQIJGQ-WMLDXEAASA-N 2 2 322.456 3.486 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2cc(Cl)ccc2o1 ZINC000423497301 434460741 /nfs/dbraw/zinc/46/07/41/434460741.db2.gz YPTMHCCSBVBDDP-FZMZJTMJSA-N 2 2 308.809 3.115 20 0 DGADLP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@@H](C[NH3+])C1CC1 ZINC000359982946 434462627 /nfs/dbraw/zinc/46/26/27/434462627.db2.gz FXFMLPBTCITMTF-KRWDZBQOSA-N 2 2 320.440 3.170 20 0 DGADLP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)[C@@H](C[NH3+])C1CC1 ZINC000359982946 434462635 /nfs/dbraw/zinc/46/26/35/434462635.db2.gz FXFMLPBTCITMTF-KRWDZBQOSA-N 2 2 320.440 3.170 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C12CCCC2 ZINC000423509298 434467921 /nfs/dbraw/zinc/46/79/21/434467921.db2.gz JKHJHZBHCWSMIH-RDGPPVDQSA-N 2 2 314.473 3.069 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000353832391 434468660 /nfs/dbraw/zinc/46/86/60/434468660.db2.gz QIYLWFSCHZRJHA-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000353832391 434468669 /nfs/dbraw/zinc/46/86/69/434468669.db2.gz QIYLWFSCHZRJHA-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000353832391 434468676 /nfs/dbraw/zinc/46/86/76/434468676.db2.gz QIYLWFSCHZRJHA-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000353832391 434468683 /nfs/dbraw/zinc/46/86/83/434468683.db2.gz QIYLWFSCHZRJHA-YLJYHZDGSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000295994366 434469799 /nfs/dbraw/zinc/46/97/99/434469799.db2.gz NXFUVMJTDJQKND-CJNGLKHVSA-N 2 2 309.417 3.227 20 0 DGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)oc2cc1C ZINC000423521450 434470473 /nfs/dbraw/zinc/47/04/73/434470473.db2.gz QSLQXQWYBJZTNC-GDBMZVCRSA-N 2 2 302.418 3.079 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423515140 434470946 /nfs/dbraw/zinc/47/09/46/434470946.db2.gz FLYLVERVOOWVAS-SWLSCSKDSA-N 2 2 317.260 3.413 20 0 DGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423526156 434474027 /nfs/dbraw/zinc/47/40/27/434474027.db2.gz UYGNXVCJAUKDJL-QAPCUYQASA-N 2 2 315.461 3.013 20 0 DGADLP CCOC1CC([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000360006565 434475712 /nfs/dbraw/zinc/47/57/12/434475712.db2.gz JZBMZAPOCUGHEZ-ACBHZAAOSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000360006565 434475717 /nfs/dbraw/zinc/47/57/17/434475717.db2.gz JZBMZAPOCUGHEZ-ACBHZAAOSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000423522041 434476285 /nfs/dbraw/zinc/47/62/85/434476285.db2.gz REMXNYMAZNZTKR-ZJUUUORDSA-N 2 2 321.223 3.162 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000366665769 434481495 /nfs/dbraw/zinc/48/14/95/434481495.db2.gz KGIMUUATEVATNJ-MCPWVCTESA-N 2 2 306.400 3.426 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000366665769 434481505 /nfs/dbraw/zinc/48/15/05/434481505.db2.gz KGIMUUATEVATNJ-MCPWVCTESA-N 2 2 306.400 3.426 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423552423 434484989 /nfs/dbraw/zinc/48/49/89/434484989.db2.gz GIDNWMKVIWFJPT-SWLSCSKDSA-N 2 2 317.260 3.413 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000400515322 434486653 /nfs/dbraw/zinc/48/66/53/434486653.db2.gz BRPISVWDURCJSM-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000400515322 434486664 /nfs/dbraw/zinc/48/66/64/434486664.db2.gz BRPISVWDURCJSM-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCC[C@@H]3CCOC3)C2)cc1 ZINC000400519125 434488262 /nfs/dbraw/zinc/48/82/62/434488262.db2.gz DDTNXWAEVVMKKD-MOPGFXCFSA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCC[C@@H]3CCOC3)C2)cc1 ZINC000400519125 434488270 /nfs/dbraw/zinc/48/82/70/434488270.db2.gz DDTNXWAEVVMKKD-MOPGFXCFSA-N 2 2 302.462 3.057 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423573691 434488422 /nfs/dbraw/zinc/48/84/22/434488422.db2.gz ZJSGOUSLLZSKBM-CMPLNLGQSA-N 2 2 315.230 3.381 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000401040951 434489262 /nfs/dbraw/zinc/48/92/62/434489262.db2.gz TZCUKZBBKMHKQF-UAFMIMERSA-N 3 2 315.505 3.047 20 0 DGADLP COC[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)C ZINC000360045978 434492067 /nfs/dbraw/zinc/49/20/67/434492067.db2.gz NUVFYTOTHJWGDG-RBUKOAKNSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360045978 434492070 /nfs/dbraw/zinc/49/20/70/434492070.db2.gz NUVFYTOTHJWGDG-RBUKOAKNSA-N 2 2 304.478 3.158 20 0 DGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000438325880 434453301 /nfs/dbraw/zinc/45/33/01/434453301.db2.gz NSQCIQXWDXALHB-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000438325880 434453311 /nfs/dbraw/zinc/45/33/11/434453311.db2.gz NSQCIQXWDXALHB-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000438327318 434455152 /nfs/dbraw/zinc/45/51/52/434455152.db2.gz LVMVVEVYTMTIFI-UHFFFAOYSA-N 2 2 308.429 3.469 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423494402 434455389 /nfs/dbraw/zinc/45/53/89/434455389.db2.gz RZAQSXRYXTVOCY-VQTJNVASSA-N 2 2 310.441 3.053 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404350290 434509903 /nfs/dbraw/zinc/50/99/03/434509903.db2.gz IWGRGCSTFXKZFG-WBMJQRKESA-N 2 2 323.868 3.036 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404350290 434509908 /nfs/dbraw/zinc/50/99/08/434509908.db2.gz IWGRGCSTFXKZFG-WBMJQRKESA-N 2 2 323.868 3.036 20 0 DGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CC(=O)N1CCCCCC1 ZINC000348832964 434517919 /nfs/dbraw/zinc/51/79/19/434517919.db2.gz KVTWYWLFJHBNHZ-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(=O)N1CCCCCC1 ZINC000348832964 434517925 /nfs/dbraw/zinc/51/79/25/434517925.db2.gz KVTWYWLFJHBNHZ-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000353913495 434523298 /nfs/dbraw/zinc/52/32/98/434523298.db2.gz JCRLLAXWZZRODG-INECWFNRSA-N 2 2 324.509 3.351 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000353913495 434523302 /nfs/dbraw/zinc/52/33/02/434523302.db2.gz JCRLLAXWZZRODG-INECWFNRSA-N 2 2 324.509 3.351 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353926977 434528327 /nfs/dbraw/zinc/52/83/27/434528327.db2.gz IDZPCPMCRZXUNL-OALUTQOASA-N 2 2 313.445 3.226 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[nH+]1 ZINC000423771872 434529464 /nfs/dbraw/zinc/52/94/64/434529464.db2.gz KCDGJUZTTIGIFL-DZGCQCFKSA-N 2 2 312.417 3.231 20 0 DGADLP CC[C@@H](C[NH2+]Cc1cnccc1C)[N@@H+]1CCc2ccccc2C1 ZINC000353928200 434531474 /nfs/dbraw/zinc/53/14/74/434531474.db2.gz BVHCGVYNOWICKV-FQEVSTJZSA-N 2 2 309.457 3.317 20 0 DGADLP CC[C@@H](C[NH2+]Cc1cnccc1C)[N@H+]1CCc2ccccc2C1 ZINC000353928200 434531483 /nfs/dbraw/zinc/53/14/83/434531483.db2.gz BVHCGVYNOWICKV-FQEVSTJZSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000353930953 434533365 /nfs/dbraw/zinc/53/33/65/434533365.db2.gz PCUMKJZDANNAON-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC000353935982 434535253 /nfs/dbraw/zinc/53/52/53/434535253.db2.gz YPHJOJMAKVBPDF-UHFFFAOYSA-N 3 2 311.473 3.434 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC000353935982 434535262 /nfs/dbraw/zinc/53/52/62/434535262.db2.gz YPHJOJMAKVBPDF-UHFFFAOYSA-N 3 2 311.473 3.434 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000353944158 434538459 /nfs/dbraw/zinc/53/84/59/434538459.db2.gz JZRJDDMQQGRDEZ-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c[nH+]1 ZINC000353944158 434538468 /nfs/dbraw/zinc/53/84/68/434538468.db2.gz JZRJDDMQQGRDEZ-UHFFFAOYSA-N 3 2 320.440 3.357 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000438907116 434539836 /nfs/dbraw/zinc/53/98/36/434539836.db2.gz KLTPMXMGMRLLDS-IUODEOHRSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000438907116 434539841 /nfs/dbraw/zinc/53/98/41/434539841.db2.gz KLTPMXMGMRLLDS-IUODEOHRSA-N 2 2 323.278 3.472 20 0 DGADLP CC(C)(C[NH2+]Cc1ccn(-c2ccccc2)n1)C[NH+]1CCCC1 ZINC000360177250 434541417 /nfs/dbraw/zinc/54/14/17/434541417.db2.gz JWCRFGIXBMUCHD-UHFFFAOYSA-N 2 2 312.461 3.084 20 0 DGADLP CCn1cncc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417929889 434550302 /nfs/dbraw/zinc/55/03/02/434550302.db2.gz JJQUTGOFFKWPKI-INIZCTEOSA-N 2 2 312.461 3.218 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1Cl ZINC000451068570 434552928 /nfs/dbraw/zinc/55/29/28/434552928.db2.gz IVZIIFVZIIRADP-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1Cl ZINC000451068570 434552933 /nfs/dbraw/zinc/55/29/33/434552933.db2.gz IVZIIFVZIIRADP-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1Cl ZINC000451068570 434552937 /nfs/dbraw/zinc/55/29/37/434552937.db2.gz IVZIIFVZIIRADP-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1Cl ZINC000451068570 434552942 /nfs/dbraw/zinc/55/29/42/434552942.db2.gz IVZIIFVZIIRADP-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360237313 434555666 /nfs/dbraw/zinc/55/56/66/434555666.db2.gz GTMGLXQESHEBKE-GOSISDBHSA-N 2 2 318.505 3.487 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000360238950 434557853 /nfs/dbraw/zinc/55/78/53/434557853.db2.gz PPJYWZKBNYZUAO-SFHVURJKSA-N 2 2 316.489 3.023 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986045 434559478 /nfs/dbraw/zinc/55/94/78/434559478.db2.gz GGFSBRONJVYSRT-HOCLYGCPSA-N 2 2 319.424 3.063 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986045 434559484 /nfs/dbraw/zinc/55/94/84/434559484.db2.gz GGFSBRONJVYSRT-HOCLYGCPSA-N 2 2 319.424 3.063 20 0 DGADLP Cc1cc(NC(=O)[C@H]([NH3+])C2CCC2)ccc1Oc1cc[nH+]cc1 ZINC000423895312 434570765 /nfs/dbraw/zinc/57/07/65/434570765.db2.gz CBXATLJIVHWSQT-QGZVFWFLSA-N 2 2 311.385 3.248 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2nc(C)c3ccccc3n2)c[nH+]1 ZINC000527520030 295100626 /nfs/dbraw/zinc/10/06/26/295100626.db2.gz GAUKAEYINWVCBO-UHFFFAOYSA-N 2 2 306.413 3.364 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535281 295101836 /nfs/dbraw/zinc/10/18/36/295101836.db2.gz REWUBSXJEDJMIT-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535281 295101838 /nfs/dbraw/zinc/10/18/38/295101838.db2.gz REWUBSXJEDJMIT-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535281 295101839 /nfs/dbraw/zinc/10/18/39/295101839.db2.gz REWUBSXJEDJMIT-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)ccn1 ZINC000527535281 295101840 /nfs/dbraw/zinc/10/18/40/295101840.db2.gz REWUBSXJEDJMIT-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000527638461 295108084 /nfs/dbraw/zinc/10/80/84/295108084.db2.gz WGCCUXONKOYLDX-SNVBAGLBSA-N 2 2 300.780 3.192 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000527638461 295108086 /nfs/dbraw/zinc/10/80/86/295108086.db2.gz WGCCUXONKOYLDX-SNVBAGLBSA-N 2 2 300.780 3.192 20 0 DGADLP Clc1cnccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000527645397 295108852 /nfs/dbraw/zinc/10/88/52/295108852.db2.gz MGHSBVKOEZCBDL-UHFFFAOYSA-N 2 2 300.793 3.334 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccsc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000527649139 295109570 /nfs/dbraw/zinc/10/95/70/295109570.db2.gz OPOIKHVIRHUXSR-JTQLQIEISA-N 2 2 303.353 3.389 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378093 434573084 /nfs/dbraw/zinc/57/30/84/434573084.db2.gz PYMZTGSPZUGNHM-HZPDHXFCSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378093 434573089 /nfs/dbraw/zinc/57/30/89/434573089.db2.gz PYMZTGSPZUGNHM-HZPDHXFCSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000459378093 434573090 /nfs/dbraw/zinc/57/30/90/434573090.db2.gz PYMZTGSPZUGNHM-HZPDHXFCSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000459378093 434573096 /nfs/dbraw/zinc/57/30/96/434573096.db2.gz PYMZTGSPZUGNHM-HZPDHXFCSA-N 2 2 324.900 3.123 20 0 DGADLP COc1ccc[nH+]c1NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000527852060 295140087 /nfs/dbraw/zinc/14/00/87/295140087.db2.gz ODLHZCBMFWHTOG-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP Cc1cc(NC(=O)C[C@@H]2CC[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000423913911 434575692 /nfs/dbraw/zinc/57/56/92/434575692.db2.gz VIFZADRGSUFIJK-AWEZNQCLSA-N 2 2 311.385 3.120 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccnc1C(F)(F)F ZINC000528394126 295207144 /nfs/dbraw/zinc/20/71/44/295207144.db2.gz XUWOOCCBVOLTBJ-CQSZACIVSA-N 2 2 315.383 3.407 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccnc1C(F)(F)F ZINC000528394126 295207146 /nfs/dbraw/zinc/20/71/46/295207146.db2.gz XUWOOCCBVOLTBJ-CQSZACIVSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccnc1C(F)(F)F ZINC000528394126 295207149 /nfs/dbraw/zinc/20/71/49/295207149.db2.gz XUWOOCCBVOLTBJ-CQSZACIVSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccnc1C(F)(F)F ZINC000528394126 295207150 /nfs/dbraw/zinc/20/71/50/295207150.db2.gz XUWOOCCBVOLTBJ-CQSZACIVSA-N 2 2 315.383 3.407 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccnc2C(F)(F)F)CC1 ZINC000528396184 295207585 /nfs/dbraw/zinc/20/75/85/295207585.db2.gz OGEJLPFFBCFBCK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccnc2C(F)(F)F)CC1 ZINC000528396184 295207587 /nfs/dbraw/zinc/20/75/87/295207587.db2.gz OGEJLPFFBCFBCK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP Cc1ccc2sc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000528404212 295209219 /nfs/dbraw/zinc/20/92/19/295209219.db2.gz OKFBLOWRIWLXIV-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP Fc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO2)cc1 ZINC000459402698 434581602 /nfs/dbraw/zinc/58/16/02/434581602.db2.gz ZTZYVQALQXQMMG-MOPGFXCFSA-N 2 2 318.436 3.262 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528443026 295214606 /nfs/dbraw/zinc/21/46/06/295214606.db2.gz ZWUFPJHPYZTRAC-KGLIPLIRSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528443026 295214607 /nfs/dbraw/zinc/21/46/07/295214607.db2.gz ZWUFPJHPYZTRAC-KGLIPLIRSA-N 2 2 307.869 3.478 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459504994 434589205 /nfs/dbraw/zinc/58/92/05/434589205.db2.gz JLXHXEXNWSKPOI-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459504994 434589208 /nfs/dbraw/zinc/58/92/08/434589208.db2.gz JLXHXEXNWSKPOI-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000418116637 434592425 /nfs/dbraw/zinc/59/24/25/434592425.db2.gz RGHARYPCCLOYST-LBPRGKRZSA-N 2 2 300.368 3.493 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422819493 295400724 /nfs/dbraw/zinc/40/07/24/295400724.db2.gz IMYIHOMZHMWTDI-BQFCYCMXSA-N 2 2 320.477 3.139 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000349147675 434620258 /nfs/dbraw/zinc/62/02/58/434620258.db2.gz INRPHSNRSMWGNH-CYBMUJFWSA-N 2 2 302.447 3.134 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000349147675 434620266 /nfs/dbraw/zinc/62/02/66/434620266.db2.gz INRPHSNRSMWGNH-CYBMUJFWSA-N 2 2 302.447 3.134 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000349145955 434620344 /nfs/dbraw/zinc/62/03/44/434620344.db2.gz GDZDZOWCEUBFMG-NSHDSACASA-N 2 2 316.405 3.158 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000349145955 434620349 /nfs/dbraw/zinc/62/03/49/434620349.db2.gz GDZDZOWCEUBFMG-NSHDSACASA-N 2 2 316.405 3.158 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000360511336 434625423 /nfs/dbraw/zinc/62/54/23/434625423.db2.gz LLMQNJRQFFSHEZ-CQSZACIVSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1OC ZINC000354124374 434631313 /nfs/dbraw/zinc/63/13/13/434631313.db2.gz KDINPILGPKHCSX-LSDHHAIUSA-N 2 2 308.466 3.126 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1OC ZINC000354124374 434631315 /nfs/dbraw/zinc/63/13/15/434631315.db2.gz KDINPILGPKHCSX-LSDHHAIUSA-N 2 2 308.466 3.126 20 0 DGADLP Cc1cc(C)c(NC(=O)C[NH2+]Cc2c[nH+]cn2C(C)C)c(C)c1 ZINC000424139279 434633857 /nfs/dbraw/zinc/63/38/57/434633857.db2.gz UYTSUYVCBSOPHN-UHFFFAOYSA-N 2 2 314.433 3.118 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360554589 434638460 /nfs/dbraw/zinc/63/84/60/434638460.db2.gz XRFIFJSXYGBYIH-HNNXBMFYSA-N 2 2 315.244 3.058 20 0 DGADLP Clc1ccc(Cl)c(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360554589 434638464 /nfs/dbraw/zinc/63/84/64/434638464.db2.gz XRFIFJSXYGBYIH-HNNXBMFYSA-N 2 2 315.244 3.058 20 0 DGADLP Fc1ccccc1-c1nc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000360570179 434640587 /nfs/dbraw/zinc/64/05/87/434640587.db2.gz QCGKCCSPWWJCSV-QGZVFWFLSA-N 2 2 317.433 3.135 20 0 DGADLP Fc1ccccc1-c1nc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000360570179 434640588 /nfs/dbraw/zinc/64/05/88/434640588.db2.gz QCGKCCSPWWJCSV-QGZVFWFLSA-N 2 2 317.433 3.135 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[N@H+](Cc2ccccc2)C1 ZINC000439781392 434646277 /nfs/dbraw/zinc/64/62/77/434646277.db2.gz JOVMXDSXVYEYLQ-ZKIDJSGLSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[N@@H+](Cc2ccccc2)C1 ZINC000439781392 434646281 /nfs/dbraw/zinc/64/62/81/434646281.db2.gz JOVMXDSXVYEYLQ-ZKIDJSGLSA-N 2 2 314.473 3.054 20 0 DGADLP Cc1nc(C2([NH2+]CCCc3ccc(C)[nH+]c3)CCCC2)no1 ZINC000354175392 434657326 /nfs/dbraw/zinc/65/73/26/434657326.db2.gz ROFYIVHJDFGOQV-UHFFFAOYSA-N 2 2 300.406 3.073 20 0 DGADLP Cc1ncc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)o1 ZINC000459676768 434658695 /nfs/dbraw/zinc/65/86/95/434658695.db2.gz ONRXFFJJRYZRBZ-UHFFFAOYSA-N 2 2 301.434 3.231 20 0 DGADLP Cc1ncc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)o1 ZINC000459676768 434658700 /nfs/dbraw/zinc/65/87/00/434658700.db2.gz ONRXFFJJRYZRBZ-UHFFFAOYSA-N 2 2 301.434 3.231 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000371292529 434666705 /nfs/dbraw/zinc/66/67/05/434666705.db2.gz CMDUIHGXHXBDJQ-IXDOHACOSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000371292529 434666709 /nfs/dbraw/zinc/66/67/09/434666709.db2.gz CMDUIHGXHXBDJQ-IXDOHACOSA-N 2 2 308.853 3.024 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219867 434673866 /nfs/dbraw/zinc/67/38/66/434673866.db2.gz FRWOVNWYKKYRAA-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219867 434673872 /nfs/dbraw/zinc/67/38/72/434673872.db2.gz FRWOVNWYKKYRAA-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219867 434673880 /nfs/dbraw/zinc/67/38/80/434673880.db2.gz FRWOVNWYKKYRAA-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)cc(C)c2)C[C@H]1C ZINC000354219867 434673887 /nfs/dbraw/zinc/67/38/87/434673887.db2.gz FRWOVNWYKKYRAA-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000424332021 434699874 /nfs/dbraw/zinc/69/98/74/434699874.db2.gz KGIIAMNTCVFVTL-RTBURBONSA-N 2 2 323.440 3.298 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000459740867 434687708 /nfs/dbraw/zinc/68/77/08/434687708.db2.gz MSOMDKQCRNBRKX-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000459740867 434687714 /nfs/dbraw/zinc/68/77/14/434687714.db2.gz MSOMDKQCRNBRKX-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000360974402 434748600 /nfs/dbraw/zinc/74/86/00/434748600.db2.gz NNKPBQRJVZAYMD-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000360974402 434748606 /nfs/dbraw/zinc/74/86/06/434748606.db2.gz NNKPBQRJVZAYMD-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000360974402 434748613 /nfs/dbraw/zinc/74/86/13/434748613.db2.gz NNKPBQRJVZAYMD-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000360974402 434748616 /nfs/dbraw/zinc/74/86/16/434748616.db2.gz NNKPBQRJVZAYMD-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2csnn2)CC1)CC(C)C ZINC000349405035 434704753 /nfs/dbraw/zinc/70/47/53/434704753.db2.gz GYAQSVRAKGOYJB-UHFFFAOYSA-N 2 2 310.511 3.118 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2csnn2)CC1)CC(C)C ZINC000349405035 434704759 /nfs/dbraw/zinc/70/47/59/434704759.db2.gz GYAQSVRAKGOYJB-UHFFFAOYSA-N 2 2 310.511 3.118 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000349412256 434708896 /nfs/dbraw/zinc/70/88/96/434708896.db2.gz YKVRQRWEJVUVNS-CYBMUJFWSA-N 2 2 318.490 3.295 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000349412256 434708902 /nfs/dbraw/zinc/70/89/02/434708902.db2.gz YKVRQRWEJVUVNS-CYBMUJFWSA-N 2 2 318.490 3.295 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000349416674 434709952 /nfs/dbraw/zinc/70/99/52/434709952.db2.gz KTXMEAAEUZYQLG-UHFFFAOYSA-N 2 2 307.463 3.485 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000349416674 434709959 /nfs/dbraw/zinc/70/99/59/434709959.db2.gz KTXMEAAEUZYQLG-UHFFFAOYSA-N 2 2 307.463 3.485 20 0 DGADLP Cn1c2c(cccc2F)[nH+]c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000443517674 434780990 /nfs/dbraw/zinc/78/09/90/434780990.db2.gz JKPLGFFZMKFZJS-AWEZNQCLSA-N 2 2 316.424 3.167 20 0 DGADLP Clc1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000453094368 434799386 /nfs/dbraw/zinc/79/93/86/434799386.db2.gz RSANPJMXYOOOCX-MSOLQXFVSA-N 2 2 322.880 3.116 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccncn2)CC1 ZINC000453111368 434804270 /nfs/dbraw/zinc/80/42/70/434804270.db2.gz DTEVUEMPAHUMRO-JKSUJKDBSA-N 2 2 310.445 3.353 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000361135739 434808552 /nfs/dbraw/zinc/80/85/52/434808552.db2.gz IUPJFEQGBJINQR-IKGGRYGDSA-N 2 2 324.509 3.066 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccncn2)c(C)c1 ZINC000453171552 434822121 /nfs/dbraw/zinc/82/21/21/434822121.db2.gz MGPPMFYXZYETFK-APWZRJJASA-N 2 2 321.428 3.382 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccncn2)c(C)c1 ZINC000453171555 434822207 /nfs/dbraw/zinc/82/22/07/434822207.db2.gz MGPPMFYXZYETFK-VQIMIIECSA-N 2 2 321.428 3.382 20 0 DGADLP Cc1oncc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000445814160 434828769 /nfs/dbraw/zinc/82/87/69/434828769.db2.gz SAINUBOWPXXNDA-INIZCTEOSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1oncc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000445814160 434828774 /nfs/dbraw/zinc/82/87/74/434828774.db2.gz SAINUBOWPXXNDA-INIZCTEOSA-N 2 2 310.401 3.306 20 0 DGADLP C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524230 434837633 /nfs/dbraw/zinc/83/76/33/434837633.db2.gz UMXDVOKIEIKWDY-MNEFBYGVSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524230 434837637 /nfs/dbraw/zinc/83/76/37/434837637.db2.gz UMXDVOKIEIKWDY-MNEFBYGVSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@H](c1cccnc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524230 434837642 /nfs/dbraw/zinc/83/76/42/434837642.db2.gz UMXDVOKIEIKWDY-MNEFBYGVSA-N 2 2 310.445 3.162 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)CCC2 ZINC000361239333 434838404 /nfs/dbraw/zinc/83/84/04/434838404.db2.gz YODDCEZXTDZRJT-ARFHVFGLSA-N 2 2 305.466 3.251 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250449 434840198 /nfs/dbraw/zinc/84/01/98/434840198.db2.gz AGQRDZXRRAGIEQ-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453250449 434840201 /nfs/dbraw/zinc/84/02/01/434840201.db2.gz AGQRDZXRRAGIEQ-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)CCC2 ZINC000372584634 434841768 /nfs/dbraw/zinc/84/17/68/434841768.db2.gz MFSNYVYQVLLDHS-INIZCTEOSA-N 2 2 321.428 3.249 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC000453262761 434843676 /nfs/dbraw/zinc/84/36/76/434843676.db2.gz STZOTGCRZZDBFD-ROUUACIJSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC000453262761 434843679 /nfs/dbraw/zinc/84/36/79/434843679.db2.gz STZOTGCRZZDBFD-ROUUACIJSA-N 2 2 304.478 3.109 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453269444 434845886 /nfs/dbraw/zinc/84/58/86/434845886.db2.gz RHSDCXMJEWYVHB-UXHICEINSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453269444 434845890 /nfs/dbraw/zinc/84/58/90/434845890.db2.gz RHSDCXMJEWYVHB-UXHICEINSA-N 2 2 318.505 3.080 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1C ZINC000411939563 434846105 /nfs/dbraw/zinc/84/61/05/434846105.db2.gz KKRROXNZPFHDRK-SJLPKXTDSA-N 2 2 312.413 3.015 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1C ZINC000411939563 434846108 /nfs/dbraw/zinc/84/61/08/434846108.db2.gz KKRROXNZPFHDRK-SJLPKXTDSA-N 2 2 312.413 3.015 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000372677226 434846156 /nfs/dbraw/zinc/84/61/56/434846156.db2.gz YFMVPEGTIKWEHW-GFCCVEGCSA-N 2 2 305.372 3.391 20 0 DGADLP O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944460 434846960 /nfs/dbraw/zinc/84/69/60/434846960.db2.gz NLZAGDDYQHENHV-VQTJNVASSA-N 2 2 319.408 3.180 20 0 DGADLP O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944460 434846964 /nfs/dbraw/zinc/84/69/64/434846964.db2.gz NLZAGDDYQHENHV-VQTJNVASSA-N 2 2 319.408 3.180 20 0 DGADLP COCC[NH+]1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553332152 434887948 /nfs/dbraw/zinc/88/79/48/434887948.db2.gz NSNABLNIDJAMQI-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000573536659 434906850 /nfs/dbraw/zinc/90/68/50/434906850.db2.gz PFBPYIAHHBKLRT-HNNXBMFYSA-N 2 2 319.424 3.279 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000573054738 434869445 /nfs/dbraw/zinc/86/94/45/434869445.db2.gz BYYWIACVNTZAEZ-YJBOKZPZSA-N 2 2 313.445 3.380 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000573054738 434869448 /nfs/dbraw/zinc/86/94/48/434869448.db2.gz BYYWIACVNTZAEZ-YJBOKZPZSA-N 2 2 313.445 3.380 20 0 DGADLP CCC(CC)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000492225339 434938150 /nfs/dbraw/zinc/93/81/50/434938150.db2.gz MDZBWVLOPCZDQJ-UHFFFAOYSA-N 2 2 310.404 3.198 20 0 DGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)C1 ZINC000464056605 434976100 /nfs/dbraw/zinc/97/61/00/434976100.db2.gz LCWQNBPUECFLQA-VSZNYVQBSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@@H]([NH2+][C@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)C1 ZINC000464056605 434976107 /nfs/dbraw/zinc/97/61/07/434976107.db2.gz LCWQNBPUECFLQA-VSZNYVQBSA-N 2 2 306.494 3.188 20 0 DGADLP C[NH+](C)[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccccc1 ZINC000523401206 434946852 /nfs/dbraw/zinc/94/68/52/434946852.db2.gz YLSMQDVBWDHTKU-GOSISDBHSA-N 2 2 320.396 3.318 20 0 DGADLP CCC(CC)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000492275704 434949485 /nfs/dbraw/zinc/94/94/85/434949485.db2.gz OUFYGFOSLZDCOD-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP CCC(CC)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000492275704 434949490 /nfs/dbraw/zinc/94/94/90/434949490.db2.gz OUFYGFOSLZDCOD-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128590 434959461 /nfs/dbraw/zinc/95/94/61/434959461.db2.gz UTYROTJOCOIISI-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128590 434959464 /nfs/dbraw/zinc/95/94/64/434959464.db2.gz UTYROTJOCOIISI-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128590 434959468 /nfs/dbraw/zinc/95/94/68/434959468.db2.gz UTYROTJOCOIISI-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638128590 434959471 /nfs/dbraw/zinc/95/94/71/434959471.db2.gz UTYROTJOCOIISI-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000574245149 434962102 /nfs/dbraw/zinc/96/21/02/434962102.db2.gz NQSMSKCLZDOCPB-OGWHTMIXSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000574245149 434962104 /nfs/dbraw/zinc/96/21/04/434962104.db2.gz NQSMSKCLZDOCPB-OGWHTMIXSA-N 2 2 302.462 3.197 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000463568169 434966191 /nfs/dbraw/zinc/96/61/91/434966191.db2.gz OETPADRBEMRJRO-ZSZQSSIHSA-N 2 2 302.462 3.045 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000463568169 434966196 /nfs/dbraw/zinc/96/61/96/434966196.db2.gz OETPADRBEMRJRO-ZSZQSSIHSA-N 2 2 302.462 3.045 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000638169576 434970581 /nfs/dbraw/zinc/97/05/81/434970581.db2.gz BHEZNNNTJGEJMB-QWFCFKBJSA-N 2 2 324.472 3.293 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000638169576 434970585 /nfs/dbraw/zinc/97/05/85/434970585.db2.gz BHEZNNNTJGEJMB-QWFCFKBJSA-N 2 2 324.472 3.293 20 0 DGADLP c1ccc(N2CC[C@H](C[N@@H+]3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978645 434922455 /nfs/dbraw/zinc/92/24/55/434922455.db2.gz QFVXMCCKMAKORE-QUCCMNQESA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[C@H](C[N@H+]3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978645 434922461 /nfs/dbraw/zinc/92/24/61/434922461.db2.gz QFVXMCCKMAKORE-QUCCMNQESA-N 2 2 313.489 3.073 20 0 DGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554372479 434925342 /nfs/dbraw/zinc/92/53/42/434925342.db2.gz MDCWDSFFVWTWEQ-KPZWWZAWSA-N 2 2 304.409 3.112 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000462832070 434933382 /nfs/dbraw/zinc/93/33/82/434933382.db2.gz GSJDTODVZQDTFV-VDGAXYAQSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000462832070 434933386 /nfs/dbraw/zinc/93/33/86/434933386.db2.gz GSJDTODVZQDTFV-VDGAXYAQSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)sn1 ZINC000638419923 435027640 /nfs/dbraw/zinc/02/76/40/435027640.db2.gz KORBMXYDQTXOHG-UHFFFAOYSA-N 2 2 316.405 3.375 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000574519331 434984488 /nfs/dbraw/zinc/98/44/88/434984488.db2.gz OIXYPMSZEAGSRB-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000574519331 434984493 /nfs/dbraw/zinc/98/44/93/434984493.db2.gz OIXYPMSZEAGSRB-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccccc1CCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000555880376 434990746 /nfs/dbraw/zinc/99/07/46/434990746.db2.gz LJPURHJNGWANGC-SFHVURJKSA-N 2 2 316.489 3.113 20 0 DGADLP Cc1ccccc1CCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000555880376 434990749 /nfs/dbraw/zinc/99/07/49/434990749.db2.gz LJPURHJNGWANGC-SFHVURJKSA-N 2 2 316.489 3.113 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000556042739 434991955 /nfs/dbraw/zinc/99/19/55/434991955.db2.gz GYLATTWNJGVLPU-MAUKXSAKSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000556042739 434991959 /nfs/dbraw/zinc/99/19/59/434991959.db2.gz GYLATTWNJGVLPU-MAUKXSAKSA-N 2 2 302.462 3.320 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638290187 434997930 /nfs/dbraw/zinc/99/79/30/434997930.db2.gz DRYCRILXVHMOMS-UHFFFAOYSA-N 2 2 302.249 3.150 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000638288121 434997947 /nfs/dbraw/zinc/99/79/47/434997947.db2.gz ZVXSQOHZLQFJEF-KVZIAJEVSA-N 2 2 302.462 3.228 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000638287841 434998778 /nfs/dbraw/zinc/99/87/78/434998778.db2.gz WWBZMSHPZOJCDL-UYSNPLJNSA-N 2 2 308.491 3.290 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)[nH]1 ZINC000574757785 435001189 /nfs/dbraw/zinc/00/11/89/435001189.db2.gz MUPNVUADLPWBDF-ZBFHGGJFSA-N 2 2 319.497 3.061 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000558151930 435078432 /nfs/dbraw/zinc/07/84/32/435078432.db2.gz FWEGHPGSNLSDAX-QGZVFWFLSA-N 2 2 304.478 3.055 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000558151930 435078435 /nfs/dbraw/zinc/07/84/35/435078435.db2.gz FWEGHPGSNLSDAX-QGZVFWFLSA-N 2 2 304.478 3.055 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000638758910 435083373 /nfs/dbraw/zinc/08/33/73/435083373.db2.gz DBWORQLQHFFKLY-ZTRSQXPZSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000638758910 435083377 /nfs/dbraw/zinc/08/33/77/435083377.db2.gz DBWORQLQHFFKLY-ZTRSQXPZSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCC[C@@H]2CCO2)c(C)c1 ZINC000638779659 435087659 /nfs/dbraw/zinc/08/76/59/435087659.db2.gz KUWVBORJJJHEST-MJGOQNOKSA-N 2 2 313.445 3.400 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638456830 435035471 /nfs/dbraw/zinc/03/54/71/435035471.db2.gz GNQOOCGEGDBUMN-ICSRJNTNSA-N 3 2 324.472 3.149 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638456830 435035476 /nfs/dbraw/zinc/03/54/76/435035476.db2.gz GNQOOCGEGDBUMN-ICSRJNTNSA-N 3 2 324.472 3.149 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000638788456 435089742 /nfs/dbraw/zinc/08/97/42/435089742.db2.gz KBLSSLHCILOZOP-WOSRLPQWSA-N 2 2 309.404 3.240 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]CCC(C)(C)C(=O)OC)[NH+](C)C)cc1 ZINC000474468424 435146967 /nfs/dbraw/zinc/14/69/67/435146967.db2.gz AIWWFYSDVSPXKA-QGZVFWFLSA-N 2 2 320.477 3.031 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532198235 435147396 /nfs/dbraw/zinc/14/73/96/435147396.db2.gz GUSUTHLNFDWMAN-BBWFWOEESA-N 2 2 320.477 3.154 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532198235 435147400 /nfs/dbraw/zinc/14/74/00/435147400.db2.gz GUSUTHLNFDWMAN-BBWFWOEESA-N 2 2 320.477 3.154 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@@H](C)C2 ZINC000493054807 435099656 /nfs/dbraw/zinc/09/96/56/435099656.db2.gz IQZOELPECFNJLI-BMGDILEWSA-N 2 2 304.503 3.255 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000531684633 435108765 /nfs/dbraw/zinc/10/87/65/435108765.db2.gz SSYWIDUFKYABNP-JKSUJKDBSA-N 2 2 301.434 3.454 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917141 435116367 /nfs/dbraw/zinc/11/63/67/435116367.db2.gz AOYSYLWAOQPPDC-XJKSGUPXSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917141 435116371 /nfs/dbraw/zinc/11/63/71/435116371.db2.gz AOYSYLWAOQPPDC-XJKSGUPXSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917141 435116374 /nfs/dbraw/zinc/11/63/74/435116374.db2.gz AOYSYLWAOQPPDC-XJKSGUPXSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917141 435116380 /nfs/dbraw/zinc/11/63/80/435116380.db2.gz AOYSYLWAOQPPDC-XJKSGUPXSA-N 2 2 312.379 3.317 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000467390784 435119329 /nfs/dbraw/zinc/11/93/29/435119329.db2.gz QIDWQYPVWMDXPQ-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000467390784 435119332 /nfs/dbraw/zinc/11/93/32/435119332.db2.gz QIDWQYPVWMDXPQ-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000468546848 435127525 /nfs/dbraw/zinc/12/75/25/435127525.db2.gz FMRAOZMUNHWICY-KBAYOESNSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000468546848 435127531 /nfs/dbraw/zinc/12/75/31/435127531.db2.gz FMRAOZMUNHWICY-KBAYOESNSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000468546846 435128722 /nfs/dbraw/zinc/12/87/22/435128722.db2.gz FMRAOZMUNHWICY-BPQIPLTHSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000468546846 435128726 /nfs/dbraw/zinc/12/87/26/435128726.db2.gz FMRAOZMUNHWICY-BPQIPLTHSA-N 2 2 322.493 3.057 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000559307127 435128680 /nfs/dbraw/zinc/12/86/80/435128680.db2.gz OOOAMVIBJPLMKQ-SNPRPXQTSA-N 2 2 300.368 3.262 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000559307127 435128684 /nfs/dbraw/zinc/12/86/84/435128684.db2.gz OOOAMVIBJPLMKQ-SNPRPXQTSA-N 2 2 300.368 3.262 20 0 DGADLP COc1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000531941951 435128957 /nfs/dbraw/zinc/12/89/57/435128957.db2.gz ZBVLLKWCVPEIMJ-GOSISDBHSA-N 2 2 304.478 3.338 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000531939362 435129122 /nfs/dbraw/zinc/12/91/22/435129122.db2.gz JJZMKGZATBKRSZ-OAHLLOKOSA-N 2 2 313.445 3.430 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000532197196 435145264 /nfs/dbraw/zinc/14/52/64/435145264.db2.gz AIJPZYYGWZXFJH-KFWWJZLASA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790636 435190390 /nfs/dbraw/zinc/19/03/90/435190390.db2.gz YTSCDVZRCLPWDW-RDTXWAMCSA-N 2 2 302.437 3.221 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790636 435190394 /nfs/dbraw/zinc/19/03/94/435190394.db2.gz YTSCDVZRCLPWDW-RDTXWAMCSA-N 2 2 302.437 3.221 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493945034 435193767 /nfs/dbraw/zinc/19/37/67/435193767.db2.gz NEBGUBITBFEASM-CWQOZTLDSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493945034 435193772 /nfs/dbraw/zinc/19/37/72/435193772.db2.gz NEBGUBITBFEASM-CWQOZTLDSA-N 2 2 306.494 3.187 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000493952637 435194030 /nfs/dbraw/zinc/19/40/30/435194030.db2.gz MLWUFIIBSJOZFA-OALUTQOASA-N 2 2 310.441 3.273 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025390 435204888 /nfs/dbraw/zinc/20/48/88/435204888.db2.gz IHXXUCDPIRBTOM-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025390 435204889 /nfs/dbraw/zinc/20/48/89/435204889.db2.gz IHXXUCDPIRBTOM-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025390 435204893 /nfs/dbraw/zinc/20/48/93/435204893.db2.gz IHXXUCDPIRBTOM-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025390 435204894 /nfs/dbraw/zinc/20/48/94/435204894.db2.gz IHXXUCDPIRBTOM-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240700 435151090 /nfs/dbraw/zinc/15/10/90/435151090.db2.gz OAEHNMSYQHSWHO-XJKSGUPXSA-N 2 2 308.853 3.485 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161765 435151966 /nfs/dbraw/zinc/15/19/66/435151966.db2.gz BOLONKSQUWPEPL-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161765 435151970 /nfs/dbraw/zinc/15/19/70/435151970.db2.gz BOLONKSQUWPEPL-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560161765 435151972 /nfs/dbraw/zinc/15/19/72/435151972.db2.gz BOLONKSQUWPEPL-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560161765 435151976 /nfs/dbraw/zinc/15/19/76/435151976.db2.gz BOLONKSQUWPEPL-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532240214 435152640 /nfs/dbraw/zinc/15/26/40/435152640.db2.gz HVPZXMYZCWLBHH-CVEARBPZSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000560244212 435156722 /nfs/dbraw/zinc/15/67/22/435156722.db2.gz AOAAYFAZKFYECZ-BHIYHBOVSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000560244212 435156726 /nfs/dbraw/zinc/15/67/26/435156726.db2.gz AOAAYFAZKFYECZ-BHIYHBOVSA-N 2 2 318.505 3.426 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000474717157 435157295 /nfs/dbraw/zinc/15/72/95/435157295.db2.gz DOFRXULXRWRUKR-PQUAAJSLSA-N 2 2 312.498 3.064 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474797626 435160669 /nfs/dbraw/zinc/16/06/69/435160669.db2.gz UBKWCMHYOMBOBZ-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474797626 435160674 /nfs/dbraw/zinc/16/06/74/435160674.db2.gz UBKWCMHYOMBOBZ-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C[NH+](C)CCC(F)(F)F)C[N@H+](C)CCC(F)(F)F ZINC000533032404 435206922 /nfs/dbraw/zinc/20/69/22/435206922.db2.gz DLSUTFWBTBWUKR-UHFFFAOYSA-N 2 2 308.310 3.391 20 0 DGADLP CC(C[NH+](C)CCC(F)(F)F)C[N@@H+](C)CCC(F)(F)F ZINC000533032404 435206926 /nfs/dbraw/zinc/20/69/26/435206926.db2.gz DLSUTFWBTBWUKR-UHFFFAOYSA-N 2 2 308.310 3.391 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532516785 435174535 /nfs/dbraw/zinc/17/45/35/435174535.db2.gz SBHPTXHPYSRVNO-DFQSSKMNSA-N 2 2 318.505 3.284 20 0 DGADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532516785 435174537 /nfs/dbraw/zinc/17/45/37/435174537.db2.gz SBHPTXHPYSRVNO-DFQSSKMNSA-N 2 2 318.505 3.284 20 0 DGADLP CCC[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153671 435177282 /nfs/dbraw/zinc/17/72/82/435177282.db2.gz IAZLXKDJXSGLNX-NVXWUHKLSA-N 2 2 305.466 3.214 20 0 DGADLP CCC[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153671 435177286 /nfs/dbraw/zinc/17/72/86/435177286.db2.gz IAZLXKDJXSGLNX-NVXWUHKLSA-N 2 2 305.466 3.214 20 0 DGADLP Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587797 435177641 /nfs/dbraw/zinc/17/76/41/435177641.db2.gz ZEFDPYYCITUFEU-MOPGFXCFSA-N 2 2 316.489 3.327 20 0 DGADLP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587797 435177646 /nfs/dbraw/zinc/17/76/46/435177646.db2.gz ZEFDPYYCITUFEU-MOPGFXCFSA-N 2 2 316.489 3.327 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1nc2ccccc2nc1C ZINC000639174513 435183195 /nfs/dbraw/zinc/18/31/95/435183195.db2.gz ALLUZXVAVJUQGK-UHFFFAOYSA-N 2 2 312.461 3.246 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1nc2ccccc2nc1C ZINC000639174513 435183197 /nfs/dbraw/zinc/18/31/97/435183197.db2.gz ALLUZXVAVJUQGK-UHFFFAOYSA-N 2 2 312.461 3.246 20 0 DGADLP C[C@H]([N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000561469450 435217253 /nfs/dbraw/zinc/21/72/53/435217253.db2.gz XYIHAGIJJYOUQM-INIZCTEOSA-N 2 2 304.478 3.385 20 0 DGADLP C[C@H]([N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000561469450 435217260 /nfs/dbraw/zinc/21/72/60/435217260.db2.gz XYIHAGIJJYOUQM-INIZCTEOSA-N 2 2 304.478 3.385 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639261472 435219554 /nfs/dbraw/zinc/21/95/54/435219554.db2.gz KTNSILORGDFDQO-PXNSSMCTSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639261472 435219557 /nfs/dbraw/zinc/21/95/57/435219557.db2.gz KTNSILORGDFDQO-PXNSSMCTSA-N 2 2 324.472 3.361 20 0 DGADLP CCN(CC[NH2+]CCCc1c[nH+]ccc1C)C(=O)OC(C)(C)C ZINC000496706859 435243766 /nfs/dbraw/zinc/24/37/66/435243766.db2.gz FPHXCKSGCNLLAU-UHFFFAOYSA-N 2 2 321.465 3.169 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000643025400 435260244 /nfs/dbraw/zinc/26/02/44/435260244.db2.gz KXIIBAZRTYCJKB-NUEKZKHPSA-N 2 2 311.429 3.115 20 0 DGADLP [NH3+][C@H]1CCC[C@H](Nc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000643030290 435260272 /nfs/dbraw/zinc/26/02/72/435260272.db2.gz KQYAEHIJNCLIQJ-STQMWFEESA-N 2 2 320.234 3.679 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000639375559 435272315 /nfs/dbraw/zinc/27/23/15/435272315.db2.gz XGPSCDVRGRUVHL-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000639376695 435273322 /nfs/dbraw/zinc/27/33/22/435273322.db2.gz VFNJDKKRZLNCHL-UHFFFAOYSA-N 2 2 312.461 3.175 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000639376695 435273326 /nfs/dbraw/zinc/27/33/26/435273326.db2.gz VFNJDKKRZLNCHL-UHFFFAOYSA-N 2 2 312.461 3.175 20 0 DGADLP CCC1([NH+](C)C)CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000639380329 435275228 /nfs/dbraw/zinc/27/52/28/435275228.db2.gz XFSMSLFRPHWITD-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP Cc1ccc(CCC[NH2+][C@](C)(CO)Cc2ccccc2F)c[nH+]1 ZINC000639385591 435280114 /nfs/dbraw/zinc/28/01/14/435280114.db2.gz DWWMSYQYTNANEH-IBGZPJMESA-N 2 2 316.420 3.045 20 0 DGADLP CC(C)c1nc(N2CCC[C@@H]2C[NH+](C)C)cc(C(C)(C)C)[nH+]1 ZINC000477827642 435282150 /nfs/dbraw/zinc/28/21/50/435282150.db2.gz GDOVIZGKYVGLLK-CQSZACIVSA-N 2 2 304.482 3.428 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)CCO1 ZINC000648385185 435282456 /nfs/dbraw/zinc/28/24/56/435282456.db2.gz HSMITPAMUPUSHP-WMZOPIPTSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1ccc(CCC[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c[nH+]1 ZINC000639398319 435284535 /nfs/dbraw/zinc/28/45/35/435284535.db2.gz OVWPFWXWFYKTNC-HNNXBMFYSA-N 2 2 309.413 3.165 20 0 DGADLP Cc1ccc(CCC[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)c[nH+]1 ZINC000639398319 435284539 /nfs/dbraw/zinc/28/45/39/435284539.db2.gz OVWPFWXWFYKTNC-HNNXBMFYSA-N 2 2 309.413 3.165 20 0 DGADLP c1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000643253088 435285141 /nfs/dbraw/zinc/28/51/41/435285141.db2.gz GZYCAHCJDFIPME-FQEVSTJZSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[N@H+]2CC[C@H](C3CCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000643253088 435285142 /nfs/dbraw/zinc/28/51/42/435285142.db2.gz GZYCAHCJDFIPME-FQEVSTJZSA-N 2 2 314.473 3.141 20 0 DGADLP COc1cc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1OC(C)C ZINC000639397729 435285854 /nfs/dbraw/zinc/28/58/54/435285854.db2.gz ONGWPHQGEQRBNB-KRWDZBQOSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)ccc1OC(C)C ZINC000639397729 435285859 /nfs/dbraw/zinc/28/58/59/435285859.db2.gz ONGWPHQGEQRBNB-KRWDZBQOSA-N 2 2 318.461 3.008 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCO[C@H](CC)C2)[NH+](C)C)cc1 ZINC000648401741 435286561 /nfs/dbraw/zinc/28/65/61/435286561.db2.gz NBQQSQAGKPUQPN-QRVBRYPASA-N 2 2 304.478 3.399 20 0 DGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534572703 435295321 /nfs/dbraw/zinc/29/53/21/435295321.db2.gz OQXIGWSNEGNKQD-QWHCGFSZSA-N 2 2 302.422 3.256 20 0 DGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534572703 435295325 /nfs/dbraw/zinc/29/53/25/435295325.db2.gz OQXIGWSNEGNKQD-QWHCGFSZSA-N 2 2 302.422 3.256 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000643030289 435260735 /nfs/dbraw/zinc/26/07/35/435260735.db2.gz KQYAEHIJNCLIQJ-QWHCGFSZSA-N 2 2 320.234 3.679 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)s1 ZINC000535086295 435318783 /nfs/dbraw/zinc/31/87/83/435318783.db2.gz QNTUGDLAFUTTML-UHFFFAOYSA-N 2 2 317.458 3.036 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000511626479 435325959 /nfs/dbraw/zinc/32/59/59/435325959.db2.gz JAUXNUBHVPLQAX-SCAUPEPPSA-N 2 2 314.473 3.451 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000511626479 435325966 /nfs/dbraw/zinc/32/59/66/435325966.db2.gz JAUXNUBHVPLQAX-SCAUPEPPSA-N 2 2 314.473 3.451 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000643453632 435328290 /nfs/dbraw/zinc/32/82/90/435328290.db2.gz NGZLGMLTSYZIFI-YYWHXJBOSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)c(Br)c1 ZINC000643500976 435336094 /nfs/dbraw/zinc/33/60/94/435336094.db2.gz LVUDXXGTRBNNAW-ZYHUDNBSSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000643501148 435336746 /nfs/dbraw/zinc/33/67/46/435336746.db2.gz XQSFCELNYGHLPD-NEPJUHHUSA-N 2 2 302.340 3.378 20 0 DGADLP Brc1cc2c(s1)CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502898 435338431 /nfs/dbraw/zinc/33/84/31/435338431.db2.gz UXTAKAVAJPFGDI-GXSJLCMTSA-N 2 2 315.280 3.230 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643502514 435339308 /nfs/dbraw/zinc/33/93/08/435339308.db2.gz IXBPQIXHRHXNJT-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000643526639 435344119 /nfs/dbraw/zinc/34/41/19/435344119.db2.gz CVHLFHHCFIOIPF-LPHOPBHVSA-N 3 2 321.484 3.316 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000643529729 435345124 /nfs/dbraw/zinc/34/51/24/435345124.db2.gz QPIYEBSTIVKKDJ-LRDDRELGSA-N 2 2 319.246 3.475 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1OC ZINC000643537334 435346772 /nfs/dbraw/zinc/34/67/72/435346772.db2.gz FKDZRKVMFOMDEO-SGMGOOAPSA-N 2 2 300.805 3.089 20 0 DGADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)c(C)c2c1 ZINC000643537442 435347439 /nfs/dbraw/zinc/34/74/39/435347439.db2.gz IHNMHJGNEYARSJ-AGIUHOORSA-N 2 2 306.381 3.100 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546136 435348346 /nfs/dbraw/zinc/34/83/46/435348346.db2.gz JGGKKBOZEDQVRU-QWHCGFSZSA-N 2 2 322.424 3.168 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000479796008 435354567 /nfs/dbraw/zinc/35/45/67/435354567.db2.gz XQNQTXJFASJGRX-BETUJISGSA-N 2 2 319.861 3.115 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000479796008 435354575 /nfs/dbraw/zinc/35/45/75/435354575.db2.gz XQNQTXJFASJGRX-BETUJISGSA-N 2 2 319.861 3.115 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000567781370 435356003 /nfs/dbraw/zinc/35/60/03/435356003.db2.gz CWUCVIXYSPALKM-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000567781370 435356009 /nfs/dbraw/zinc/35/60/09/435356009.db2.gz CWUCVIXYSPALKM-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000512567956 435361010 /nfs/dbraw/zinc/36/10/10/435361010.db2.gz DSZARQSFPUOTMB-BBRMVZONSA-N 2 2 305.853 3.225 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000512567956 435361015 /nfs/dbraw/zinc/36/10/15/435361015.db2.gz DSZARQSFPUOTMB-BBRMVZONSA-N 2 2 305.853 3.225 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)OC ZINC000648658481 435374527 /nfs/dbraw/zinc/37/45/27/435374527.db2.gz JCUNZAYUAADLEZ-GUYCJALGSA-N 2 2 305.397 3.162 20 0 DGADLP COC1(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000480399124 435377037 /nfs/dbraw/zinc/37/70/37/435377037.db2.gz XKDNULIXGFVMCK-FUHWJXTLSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000480399124 435377045 /nfs/dbraw/zinc/37/70/45/435377045.db2.gz XKDNULIXGFVMCK-FUHWJXTLSA-N 2 2 302.462 3.371 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000643898394 435380308 /nfs/dbraw/zinc/38/03/08/435380308.db2.gz DYLZZRHQWYOSAT-CALCHBBNSA-N 2 2 304.478 3.228 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000643898394 435380311 /nfs/dbraw/zinc/38/03/11/435380311.db2.gz DYLZZRHQWYOSAT-CALCHBBNSA-N 2 2 304.478 3.228 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C/C(C)=C/c3ccccc3)CC2)c1 ZINC000513396121 435387013 /nfs/dbraw/zinc/38/70/13/435387013.db2.gz BWKBPZKJBYUAIA-SAPNQHFASA-N 2 2 323.440 3.316 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000513441028 435390265 /nfs/dbraw/zinc/39/02/65/435390265.db2.gz ZMPHRSUETDPTCX-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000513441028 435390269 /nfs/dbraw/zinc/39/02/69/435390269.db2.gz ZMPHRSUETDPTCX-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)no1 ZINC000639682833 435392116 /nfs/dbraw/zinc/39/21/16/435392116.db2.gz APSIZKCZULTKAT-UHFFFAOYSA-N 2 2 314.433 3.079 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000568164829 435398685 /nfs/dbraw/zinc/39/86/85/435398685.db2.gz BEFLFSFJSFRSTR-INIZCTEOSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000568164829 435398690 /nfs/dbraw/zinc/39/86/90/435398690.db2.gz BEFLFSFJSFRSTR-INIZCTEOSA-N 2 2 306.413 3.266 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000644529912 435447645 /nfs/dbraw/zinc/44/76/45/435447645.db2.gz JKKXTSNHPKVNSI-UZLBHIALSA-N 2 2 321.424 3.127 20 0 DGADLP COCCN(C)c1ccc(CNc2cccc3cc[nH+]cc32)c[nH+]1 ZINC000568580243 435448467 /nfs/dbraw/zinc/44/84/67/435448467.db2.gz WXDSPWZWNVAGEW-UHFFFAOYSA-N 2 2 322.412 3.325 20 0 DGADLP CC1(C)CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000537614508 435452659 /nfs/dbraw/zinc/45/26/59/435452659.db2.gz NSSJTUAPNPLVAR-GFCCVEGCSA-N 2 2 308.389 3.201 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC000639986257 435481130 /nfs/dbraw/zinc/48/11/30/435481130.db2.gz KYESGYVANRRZET-INIZCTEOSA-N 2 2 302.466 3.186 20 0 DGADLP Cc1nc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)o1 ZINC000537887560 435473836 /nfs/dbraw/zinc/47/38/36/435473836.db2.gz XHMWPXMOYOJCOA-CYBMUJFWSA-N 2 2 310.401 3.370 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)C1CCCCC1 ZINC000537982831 435478945 /nfs/dbraw/zinc/47/89/45/435478945.db2.gz NGXVXUCJBLFUHT-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)C1CCCCC1 ZINC000537982831 435478946 /nfs/dbraw/zinc/47/89/46/435478946.db2.gz NGXVXUCJBLFUHT-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000648815996 435429524 /nfs/dbraw/zinc/42/95/24/435429524.db2.gz JNTWCJVPPSZAJH-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000648815996 435429526 /nfs/dbraw/zinc/42/95/26/435429526.db2.gz JNTWCJVPPSZAJH-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000538559407 435506527 /nfs/dbraw/zinc/50/65/27/435506527.db2.gz WRCWOIGTXSORHB-SJLPKXTDSA-N 2 2 302.466 3.068 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000569378719 435529056 /nfs/dbraw/zinc/52/90/56/435529056.db2.gz ZSSJTFSTQKKZEA-KRWDZBQOSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000515464111 435486943 /nfs/dbraw/zinc/48/69/43/435486943.db2.gz IYXGUDKLKQAPQR-HNAYVOBHSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000515464111 435486946 /nfs/dbraw/zinc/48/69/46/435486946.db2.gz IYXGUDKLKQAPQR-HNAYVOBHSA-N 2 2 313.445 3.026 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484487158 435546705 /nfs/dbraw/zinc/54/67/05/435546705.db2.gz LUYSZSPRSYYHPH-ZWKOTPCHSA-N 2 2 324.509 3.420 20 0 DGADLP COCC1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000539650203 435562079 /nfs/dbraw/zinc/56/20/79/435562079.db2.gz GUYMQCSURSSXNL-UHFFFAOYSA-N 2 2 308.853 3.073 20 0 DGADLP CC[N@@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H](C)C1 ZINC000539738498 435565959 /nfs/dbraw/zinc/56/59/59/435565959.db2.gz YCWBNDIHYARXII-NVXWUHKLSA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H](C)C1 ZINC000539738498 435565962 /nfs/dbraw/zinc/56/59/62/435565962.db2.gz YCWBNDIHYARXII-NVXWUHKLSA-N 2 2 302.466 3.214 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000649344169 435566525 /nfs/dbraw/zinc/56/65/25/435566525.db2.gz BHUPYTHPEOIYLF-OIISXLGYSA-N 2 2 324.428 3.039 20 0 DGADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000569985744 435577941 /nfs/dbraw/zinc/57/79/41/435577941.db2.gz RNBHWCQXDKLCRS-ZIAGYGMSSA-N 2 2 301.409 3.500 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649407772 435580515 /nfs/dbraw/zinc/58/05/15/435580515.db2.gz UFWYPIWTAJJXRC-CEXWTWQISA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649407772 435580521 /nfs/dbraw/zinc/58/05/21/435580521.db2.gz UFWYPIWTAJJXRC-CEXWTWQISA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649407772 435580523 /nfs/dbraw/zinc/58/05/23/435580523.db2.gz UFWYPIWTAJJXRC-CEXWTWQISA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649407772 435580525 /nfs/dbraw/zinc/58/05/25/435580525.db2.gz UFWYPIWTAJJXRC-CEXWTWQISA-N 2 2 308.510 3.388 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000517223364 435581670 /nfs/dbraw/zinc/58/16/70/435581670.db2.gz UTYFDGWOGBATOG-UYAOXDASSA-N 2 2 323.440 3.228 20 0 DGADLP C[C@H]1C[NH+](CCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000517205440 435582854 /nfs/dbraw/zinc/58/28/54/435582854.db2.gz ZNEAVDKOXIFWSE-STQMWFEESA-N 2 2 310.379 3.331 20 0 DGADLP C[C@H]1C[NH+](CCC[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000517205440 435582857 /nfs/dbraw/zinc/58/28/57/435582857.db2.gz ZNEAVDKOXIFWSE-STQMWFEESA-N 2 2 310.379 3.331 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000516569825 435538700 /nfs/dbraw/zinc/53/87/00/435538700.db2.gz JEPDNOQNHVVIAV-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000516569825 435538703 /nfs/dbraw/zinc/53/87/03/435538703.db2.gz JEPDNOQNHVVIAV-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C12CCCCC2 ZINC000539124300 435540451 /nfs/dbraw/zinc/54/04/51/435540451.db2.gz OZZDUARGPXTSGR-NRSFXHEJSA-N 2 2 306.494 3.187 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C12CCCCC2 ZINC000539124300 435540456 /nfs/dbraw/zinc/54/04/56/435540456.db2.gz OZZDUARGPXTSGR-NRSFXHEJSA-N 2 2 306.494 3.187 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCSC1 ZINC000484476713 435545759 /nfs/dbraw/zinc/54/57/59/435545759.db2.gz WHVNKOAVQMFSNW-QZTJIDSGSA-N 2 2 304.503 3.035 20 0 DGADLP Cc1cccc(C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000484500279 435545805 /nfs/dbraw/zinc/54/58/05/435545805.db2.gz KKAGLOLPFYWAFD-OALUTQOASA-N 2 2 318.530 3.343 20 0 DGADLP CC(C)CO[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000540595253 435610622 /nfs/dbraw/zinc/61/06/22/435610622.db2.gz XQXZVOXYDQMWLA-IRXDYDNUSA-N 2 2 315.461 3.306 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834252 435619617 /nfs/dbraw/zinc/61/96/17/435619617.db2.gz WGLSSAXLMOVZIG-WFASDCNBSA-N 2 2 304.825 3.278 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834252 435619623 /nfs/dbraw/zinc/61/96/23/435619623.db2.gz WGLSSAXLMOVZIG-WFASDCNBSA-N 2 2 304.825 3.278 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547592 435621000 /nfs/dbraw/zinc/62/10/00/435621000.db2.gz XLODVMONWNKTET-DOTOQJQBSA-N 2 2 305.466 3.173 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547592 435621006 /nfs/dbraw/zinc/62/10/06/435621006.db2.gz XLODVMONWNKTET-DOTOQJQBSA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547592 435621011 /nfs/dbraw/zinc/62/10/11/435621011.db2.gz XLODVMONWNKTET-DOTOQJQBSA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547592 435621014 /nfs/dbraw/zinc/62/10/14/435621014.db2.gz XLODVMONWNKTET-DOTOQJQBSA-N 2 2 305.466 3.173 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561802 435626117 /nfs/dbraw/zinc/62/61/17/435626117.db2.gz JZZNNOXDXFPHNW-CRAIPNDOSA-N 2 2 305.466 3.031 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561802 435626122 /nfs/dbraw/zinc/62/61/22/435626122.db2.gz JZZNNOXDXFPHNW-CRAIPNDOSA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561802 435626127 /nfs/dbraw/zinc/62/61/27/435626127.db2.gz JZZNNOXDXFPHNW-CRAIPNDOSA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561802 435626132 /nfs/dbraw/zinc/62/61/32/435626132.db2.gz JZZNNOXDXFPHNW-CRAIPNDOSA-N 2 2 305.466 3.031 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000649576372 435629322 /nfs/dbraw/zinc/62/93/22/435629322.db2.gz WYJSYULWEOGAKF-CQSZACIVSA-N 2 2 321.428 3.174 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570607599 435634552 /nfs/dbraw/zinc/63/45/52/435634552.db2.gz FDGRJFIYFMKRRI-VXGBXAGGSA-N 2 2 305.372 3.156 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570607599 435634556 /nfs/dbraw/zinc/63/45/56/435634556.db2.gz FDGRJFIYFMKRRI-VXGBXAGGSA-N 2 2 305.372 3.156 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143887 435593656 /nfs/dbraw/zinc/59/36/56/435593656.db2.gz WQSMJSOLBBKTKZ-GPMSIDNRSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143887 435593659 /nfs/dbraw/zinc/59/36/59/435593659.db2.gz WQSMJSOLBBKTKZ-GPMSIDNRSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285848 435596022 /nfs/dbraw/zinc/59/60/22/435596022.db2.gz QNPRKBQCKFJBSE-ZBFHGGJFSA-N 2 2 306.413 3.232 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285848 435596026 /nfs/dbraw/zinc/59/60/26/435596026.db2.gz QNPRKBQCKFJBSE-ZBFHGGJFSA-N 2 2 306.413 3.232 20 0 DGADLP C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765613 435641657 /nfs/dbraw/zinc/64/16/57/435641657.db2.gz STZAHOKMJZBUEW-TYNCELHUSA-N 2 2 324.266 3.011 20 0 DGADLP C[C@H]1C[C@H]1[N@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765613 435641662 /nfs/dbraw/zinc/64/16/62/435641662.db2.gz STZAHOKMJZBUEW-TYNCELHUSA-N 2 2 324.266 3.011 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106347 435678705 /nfs/dbraw/zinc/67/87/05/435678705.db2.gz GJDUQBCECCFUEZ-RBUKOAKNSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106347 435678709 /nfs/dbraw/zinc/67/87/09/435678709.db2.gz GJDUQBCECCFUEZ-RBUKOAKNSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106347 435678715 /nfs/dbraw/zinc/67/87/15/435678715.db2.gz GJDUQBCECCFUEZ-RBUKOAKNSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000571106347 435678719 /nfs/dbraw/zinc/67/87/19/435678719.db2.gz GJDUQBCECCFUEZ-RBUKOAKNSA-N 2 2 316.489 3.305 20 0 DGADLP Cc1c[nH+]ccc1CCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000645827233 435700884 /nfs/dbraw/zinc/70/08/84/435700884.db2.gz LGBFVCGHUHKEKG-SCTDSRPQSA-N 2 2 301.478 3.270 20 0 DGADLP Cc1c[nH+]ccc1CCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000645827233 435700890 /nfs/dbraw/zinc/70/08/90/435700890.db2.gz LGBFVCGHUHKEKG-SCTDSRPQSA-N 2 2 301.478 3.270 20 0 DGADLP OCc1cc[nH+]c(NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000641267176 435724922 /nfs/dbraw/zinc/72/49/22/435724922.db2.gz FPQAMMZPWCDWIO-UHFFFAOYSA-N 2 2 311.429 3.172 20 0 DGADLP COc1cccc([C@@H](C)[NH+]2CCN(c3cc[nH+]cc3F)CC2)c1 ZINC000641343841 435730966 /nfs/dbraw/zinc/73/09/66/435730966.db2.gz GXTOQMPXUUVQOV-CQSZACIVSA-N 2 2 315.392 3.113 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000651446445 435731620 /nfs/dbraw/zinc/73/16/20/435731620.db2.gz JKLZDMKNTDRIJG-GOSISDBHSA-N 2 2 322.456 3.026 20 0 DGADLP Cc1cc(N2CC[N@H+](C)C[C@H]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000651446445 435731627 /nfs/dbraw/zinc/73/16/27/435731627.db2.gz JKLZDMKNTDRIJG-GOSISDBHSA-N 2 2 322.456 3.026 20 0 DGADLP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2F)[C@H]1c1cccs1 ZINC000641394641 435734518 /nfs/dbraw/zinc/73/45/18/435734518.db2.gz NBWDUAOHLPJNCI-WBMJQRKESA-N 2 2 305.422 3.199 20 0 DGADLP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2F)[C@H]1c1cccs1 ZINC000641394641 435734525 /nfs/dbraw/zinc/73/45/25/435734525.db2.gz NBWDUAOHLPJNCI-WBMJQRKESA-N 2 2 305.422 3.199 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655707859 435739062 /nfs/dbraw/zinc/73/90/62/435739062.db2.gz GIQUKGBSSCZUIQ-PMACEKPBSA-N 2 2 316.489 3.241 20 0 DGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708637 435739667 /nfs/dbraw/zinc/73/96/67/435739667.db2.gz RLSSLGHXYMWYBQ-YTQUADARSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000655708391 435739846 /nfs/dbraw/zinc/73/98/46/435739846.db2.gz IXMZTYOKAOCEAG-LPHOPBHVSA-N 2 2 316.489 3.196 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000660430009 435741013 /nfs/dbraw/zinc/74/10/13/435741013.db2.gz KRTUXDAZEDSEOZ-UHFFFAOYSA-N 2 2 313.401 3.299 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655712859 435742378 /nfs/dbraw/zinc/74/23/78/435742378.db2.gz XCSCKYGINYNGCI-OALUTQOASA-N 2 2 318.436 3.120 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nc(C)cs1 ZINC000655713133 435743047 /nfs/dbraw/zinc/74/30/47/435743047.db2.gz VZMINXDKGHFVEB-CVEARBPZSA-N 2 2 323.506 3.136 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000655716045 435743538 /nfs/dbraw/zinc/74/35/38/435743538.db2.gz PPFNRVKNUVZBGO-AEFFLSMTSA-N 2 2 302.462 3.207 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000520406624 435744152 /nfs/dbraw/zinc/74/41/52/435744152.db2.gz NOGUQBROFFOXEI-HPFXQQBRSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000520406624 435744160 /nfs/dbraw/zinc/74/41/60/435744160.db2.gz NOGUQBROFFOXEI-HPFXQQBRSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)CN[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655716066 435744356 /nfs/dbraw/zinc/74/43/56/435744356.db2.gz PQQVAGYZYJNXEL-NVXWUHKLSA-N 2 2 312.461 3.437 20 0 DGADLP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655716068 435744414 /nfs/dbraw/zinc/74/44/14/435744414.db2.gz PQQVAGYZYJNXEL-RDJZCZTQSA-N 2 2 312.461 3.437 20 0 DGADLP c1ccc2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nsc2c1 ZINC000660434783 435745384 /nfs/dbraw/zinc/74/53/84/435745384.db2.gz ILTKXLSYVSIYMV-CQSZACIVSA-N 2 2 311.410 3.345 20 0 DGADLP c1ccc2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nsc2c1 ZINC000660434783 435745389 /nfs/dbraw/zinc/74/53/89/435745389.db2.gz ILTKXLSYVSIYMV-CQSZACIVSA-N 2 2 311.410 3.345 20 0 DGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655717873 435746636 /nfs/dbraw/zinc/74/66/36/435746636.db2.gz FHHBZPCTGPIWBO-TXPKVOOTSA-N 2 2 302.462 3.022 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737920 435763148 /nfs/dbraw/zinc/76/31/48/435763148.db2.gz RIACKXKTLBQBST-ZTNFWEORSA-N 2 2 314.473 3.153 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cn2ccccc2n1 ZINC000655718738 435748431 /nfs/dbraw/zinc/74/84/31/435748431.db2.gz LVQCQPQBPHKYBU-HNNXBMFYSA-N 2 2 312.461 3.392 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H](C)C1CCCCC1 ZINC000655719060 435749184 /nfs/dbraw/zinc/74/91/84/435749184.db2.gz OWJPNGCZDGGZAG-JTDSTZFVSA-N 2 2 308.510 3.434 20 0 DGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655720505 435750874 /nfs/dbraw/zinc/75/08/74/435750874.db2.gz YGSQRHDBLSCFTB-AZUAARDMSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)n1C ZINC000571897579 435754078 /nfs/dbraw/zinc/75/40/78/435754078.db2.gz ULJGBWDJNVUYEZ-UHFFFAOYSA-N 2 2 316.449 3.228 20 0 DGADLP CC(C)c1nc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000655730765 435754566 /nfs/dbraw/zinc/75/45/66/435754566.db2.gz SYHPEDHZPIGSEM-UKRRQHHQSA-N 2 2 323.506 3.170 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CS1 ZINC000655729955 435754608 /nfs/dbraw/zinc/75/46/08/435754608.db2.gz QHGMYQXRVWQVFC-ZIAGYGMSSA-N 2 2 303.475 3.380 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000655733025 435758560 /nfs/dbraw/zinc/75/85/60/435758560.db2.gz IDLULZQSEDBMOU-MVJPYGJCSA-N 2 2 314.473 3.022 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000649794983 435706195 /nfs/dbraw/zinc/70/61/95/435706195.db2.gz ZDGUCDXWSNEPOX-QGZVFWFLSA-N 2 2 301.409 3.428 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000649794983 435706198 /nfs/dbraw/zinc/70/61/98/435706198.db2.gz ZDGUCDXWSNEPOX-QGZVFWFLSA-N 2 2 301.409 3.428 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+]C3(C4CCC4)CC3)CC2)cc1 ZINC000649811183 435712385 /nfs/dbraw/zinc/71/23/85/435712385.db2.gz IOUQAANEVZMNGX-UHFFFAOYSA-N 2 2 313.489 3.121 20 0 DGADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1F ZINC000651674376 435787150 /nfs/dbraw/zinc/78/71/50/435787150.db2.gz MPJXMZKTHSIMDC-UHFFFAOYSA-N 2 2 324.440 3.053 20 0 DGADLP CCCC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ncsc2C1 ZINC000646129459 435788716 /nfs/dbraw/zinc/78/87/16/435788716.db2.gz HKHABHNXXLCBQP-HNNXBMFYSA-N 2 2 318.490 3.389 20 0 DGADLP CCCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ncsc2C1 ZINC000646129459 435788718 /nfs/dbraw/zinc/78/87/18/435788718.db2.gz HKHABHNXXLCBQP-HNNXBMFYSA-N 2 2 318.490 3.389 20 0 DGADLP Fc1cccc(Cl)c1[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000646147157 435795942 /nfs/dbraw/zinc/79/59/42/435795942.db2.gz UGPDFBFIKKXXTK-OAHLLOKOSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1cccc(Cl)c1[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000646147157 435795950 /nfs/dbraw/zinc/79/59/50/435795950.db2.gz UGPDFBFIKKXXTK-OAHLLOKOSA-N 2 2 323.799 3.139 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000550161289 435796335 /nfs/dbraw/zinc/79/63/35/435796335.db2.gz IBZQGCCWHXZIBH-OAHLLOKOSA-N 2 2 312.417 3.075 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000550161289 435796344 /nfs/dbraw/zinc/79/63/44/435796344.db2.gz IBZQGCCWHXZIBH-OAHLLOKOSA-N 2 2 312.417 3.075 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733177 435801914 /nfs/dbraw/zinc/80/19/14/435801914.db2.gz GRVBVFVJQVGYJY-MAUKXSAKSA-N 2 2 324.472 3.285 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733177 435801922 /nfs/dbraw/zinc/80/19/22/435801922.db2.gz GRVBVFVJQVGYJY-MAUKXSAKSA-N 2 2 324.472 3.285 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000550664896 435806324 /nfs/dbraw/zinc/80/63/24/435806324.db2.gz AXANGJAERFPVHT-HOTGVXAUSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000550664896 435806329 /nfs/dbraw/zinc/80/63/29/435806329.db2.gz AXANGJAERFPVHT-HOTGVXAUSA-N 2 2 301.459 3.377 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000550645097 435806824 /nfs/dbraw/zinc/80/68/24/435806824.db2.gz URXJBMKIXOASMC-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000550645097 435806830 /nfs/dbraw/zinc/80/68/30/435806830.db2.gz URXJBMKIXOASMC-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000550897575 435812630 /nfs/dbraw/zinc/81/26/30/435812630.db2.gz FRTLZEQQBWVTQY-SQGPQFPESA-N 2 2 318.505 3.210 20 0 DGADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000550897575 435812636 /nfs/dbraw/zinc/81/26/36/435812636.db2.gz FRTLZEQQBWVTQY-SQGPQFPESA-N 2 2 318.505 3.210 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000651756015 435816967 /nfs/dbraw/zinc/81/69/67/435816967.db2.gz GRUPZIGQIFMDAJ-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000651756015 435816974 /nfs/dbraw/zinc/81/69/74/435816974.db2.gz GRUPZIGQIFMDAJ-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000651756015 435816980 /nfs/dbraw/zinc/81/69/80/435816980.db2.gz GRUPZIGQIFMDAJ-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000651756015 435816983 /nfs/dbraw/zinc/81/69/83/435816983.db2.gz GRUPZIGQIFMDAJ-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H](C3CC3)[C@@H]3CCCCO3)c2)c[nH+]1 ZINC000655810496 435818124 /nfs/dbraw/zinc/81/81/24/435818124.db2.gz DXRLHFAGNFBQOP-DLBZAZTESA-N 2 2 317.458 3.371 20 0 DGADLP COCC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000655818874 435820151 /nfs/dbraw/zinc/82/01/51/435820151.db2.gz VWONGVWLUGHWBG-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1 ZINC000571994396 435765843 /nfs/dbraw/zinc/76/58/43/435765843.db2.gz PTVZUPOZESFDQQ-OCCSQVGLSA-N 2 2 318.383 3.019 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cncnc1C ZINC000655742991 435765793 /nfs/dbraw/zinc/76/57/93/435765793.db2.gz CTEJEJFMLKQQQC-CYBMUJFWSA-N 2 2 309.417 3.048 20 0 DGADLP Cc1[nH+]c2n(c1C)CCN(Cc1[nH+]c(C(C)C)n3ccccc13)C2 ZINC000651630696 435772065 /nfs/dbraw/zinc/77/20/65/435772065.db2.gz LLVOHQLCJZJYSW-UHFFFAOYSA-N 2 2 323.444 3.287 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](CN[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756106 435775883 /nfs/dbraw/zinc/77/58/83/435775883.db2.gz NZJTYOCAYUHGOC-MOPGFXCFSA-N 2 2 324.472 3.218 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](CN[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756106 435775888 /nfs/dbraw/zinc/77/58/88/435775888.db2.gz NZJTYOCAYUHGOC-MOPGFXCFSA-N 2 2 324.472 3.218 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)CC[C@H]([NH3+])c3ccccc3)ccc2n1C ZINC000646125244 435787055 /nfs/dbraw/zinc/78/70/55/435787055.db2.gz ATSMEGSJTFZENP-INIZCTEOSA-N 2 2 322.412 3.300 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000641804778 435828856 /nfs/dbraw/zinc/82/88/56/435828856.db2.gz LMYVXVLRTZRKEJ-ZIAGYGMSSA-N 2 2 305.809 3.210 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cnc(-c3ccccc3)nc2)[C@@H]1C ZINC000641807642 435828898 /nfs/dbraw/zinc/82/88/98/435828898.db2.gz LQQNVJLMVNGQCI-RKVPGOIHSA-N 2 2 310.445 3.091 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@@H]1C ZINC000641807642 435828901 /nfs/dbraw/zinc/82/89/01/435828901.db2.gz LQQNVJLMVNGQCI-RKVPGOIHSA-N 2 2 310.445 3.091 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000641821590 435834498 /nfs/dbraw/zinc/83/44/98/435834498.db2.gz MGCMMSSHEWMPSY-KDURUIRLSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000641821590 435834507 /nfs/dbraw/zinc/83/45/07/435834507.db2.gz MGCMMSSHEWMPSY-KDURUIRLSA-N 2 2 311.429 3.081 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nsc4ccccc43)C2)C1 ZINC000660642664 435835926 /nfs/dbraw/zinc/83/59/26/435835926.db2.gz TXQRNKGDVUOPEA-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nsc4ccccc43)C2)C1 ZINC000660642664 435835931 /nfs/dbraw/zinc/83/59/31/435835931.db2.gz TXQRNKGDVUOPEA-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC000660642664 435835937 /nfs/dbraw/zinc/83/59/37/435835937.db2.gz TXQRNKGDVUOPEA-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC000660642664 435835942 /nfs/dbraw/zinc/83/59/42/435835942.db2.gz TXQRNKGDVUOPEA-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCCCO1 ZINC000655846319 435836007 /nfs/dbraw/zinc/83/60/07/435836007.db2.gz FQUIKLHXEWCWPU-HUUCEWRRSA-N 2 2 322.415 3.341 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000655849206 435840063 /nfs/dbraw/zinc/84/00/63/435840063.db2.gz QFSYEBLTYOXNIM-VDZJLULYSA-N 2 2 301.478 3.420 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000655849206 435840071 /nfs/dbraw/zinc/84/00/71/435840071.db2.gz QFSYEBLTYOXNIM-VDZJLULYSA-N 2 2 301.478 3.420 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655847396 435840492 /nfs/dbraw/zinc/84/04/92/435840492.db2.gz AQQUQAKZKPKMPZ-QRVBRYPASA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655847396 435840496 /nfs/dbraw/zinc/84/04/96/435840496.db2.gz AQQUQAKZKPKMPZ-QRVBRYPASA-N 2 2 300.446 3.289 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849292 435840542 /nfs/dbraw/zinc/84/05/42/435840542.db2.gz SSQOVNJIVSCRKN-WNHJNPCNSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849292 435840547 /nfs/dbraw/zinc/84/05/47/435840547.db2.gz SSQOVNJIVSCRKN-WNHJNPCNSA-N 2 2 302.462 3.369 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848805 435840830 /nfs/dbraw/zinc/84/08/30/435840830.db2.gz LFMNPGSICBISHT-NTDBWNAOSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848805 435840837 /nfs/dbraw/zinc/84/08/37/435840837.db2.gz LFMNPGSICBISHT-NTDBWNAOSA-N 2 2 316.493 3.053 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655848163 435841077 /nfs/dbraw/zinc/84/10/77/435841077.db2.gz GFSKQTWFYCNGAQ-PMACEKPBSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000655848163 435841088 /nfs/dbraw/zinc/84/10/88/435841088.db2.gz GFSKQTWFYCNGAQ-PMACEKPBSA-N 2 2 313.489 3.262 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1Cl)C2 ZINC000660654367 435841078 /nfs/dbraw/zinc/84/10/78/435841078.db2.gz HEGKQLFVEOTKHS-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1Cl)C2 ZINC000660654367 435841084 /nfs/dbraw/zinc/84/10/84/435841084.db2.gz HEGKQLFVEOTKHS-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1Cl)C2 ZINC000660654367 435841090 /nfs/dbraw/zinc/84/10/90/435841090.db2.gz HEGKQLFVEOTKHS-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1Cl)C2 ZINC000660654367 435841096 /nfs/dbraw/zinc/84/10/96/435841096.db2.gz HEGKQLFVEOTKHS-QGZVFWFLSA-N 2 2 308.853 3.137 20 0 DGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(-c2ccccc2)cn1 ZINC000651828522 435841556 /nfs/dbraw/zinc/84/15/56/435841556.db2.gz OTKGYULJGNYAOF-OAHLLOKOSA-N 2 2 306.413 3.375 20 0 DGADLP CC(C)c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000551589656 435842697 /nfs/dbraw/zinc/84/26/97/435842697.db2.gz AFUFSMPSNMEPIZ-CQSZACIVSA-N 2 2 302.466 3.042 20 0 DGADLP CC(C)c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000551589656 435842703 /nfs/dbraw/zinc/84/27/03/435842703.db2.gz AFUFSMPSNMEPIZ-CQSZACIVSA-N 2 2 302.466 3.042 20 0 DGADLP CCC[C@@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696713 435844890 /nfs/dbraw/zinc/84/48/90/435844890.db2.gz IDHKZEGZHUTONN-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551696713 435844894 /nfs/dbraw/zinc/84/48/94/435844894.db2.gz IDHKZEGZHUTONN-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551696713 435844897 /nfs/dbraw/zinc/84/48/97/435844897.db2.gz IDHKZEGZHUTONN-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551696713 435844903 /nfs/dbraw/zinc/84/49/03/435844903.db2.gz IDHKZEGZHUTONN-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP COc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655855366 435845606 /nfs/dbraw/zinc/84/56/06/435845606.db2.gz FXOZNJTVUCXMKF-SJORKVTESA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655855366 435845610 /nfs/dbraw/zinc/84/56/10/435845610.db2.gz FXOZNJTVUCXMKF-SJORKVTESA-N 2 2 318.461 3.119 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000655855946 435846882 /nfs/dbraw/zinc/84/68/82/435846882.db2.gz JGPLLSYHRXHBLE-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000655855946 435846888 /nfs/dbraw/zinc/84/68/88/435846888.db2.gz JGPLLSYHRXHBLE-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659839 435847178 /nfs/dbraw/zinc/84/71/78/435847178.db2.gz RVYNWYWUDVFKID-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659839 435847181 /nfs/dbraw/zinc/84/71/81/435847181.db2.gz RVYNWYWUDVFKID-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659839 435847185 /nfs/dbraw/zinc/84/71/85/435847185.db2.gz RVYNWYWUDVFKID-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659839 435847190 /nfs/dbraw/zinc/84/71/90/435847190.db2.gz RVYNWYWUDVFKID-LJQANCHMSA-N 2 2 302.462 3.392 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662678 435847447 /nfs/dbraw/zinc/84/74/47/435847447.db2.gz KZMOOOFMABXWFW-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662678 435847453 /nfs/dbraw/zinc/84/74/53/435847453.db2.gz KZMOOOFMABXWFW-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662678 435847458 /nfs/dbraw/zinc/84/74/58/435847458.db2.gz KZMOOOFMABXWFW-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000660662678 435847463 /nfs/dbraw/zinc/84/74/63/435847463.db2.gz KZMOOOFMABXWFW-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[C@@H]1CCCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703793 435848337 /nfs/dbraw/zinc/84/83/37/435848337.db2.gz IOTTVULTKBHZSG-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703793 435848344 /nfs/dbraw/zinc/84/83/44/435848344.db2.gz IOTTVULTKBHZSG-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703793 435848349 /nfs/dbraw/zinc/84/83/49/435848349.db2.gz IOTTVULTKBHZSG-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703793 435848354 /nfs/dbraw/zinc/84/83/54/435848354.db2.gz IOTTVULTKBHZSG-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665211 435851296 /nfs/dbraw/zinc/85/12/96/435851296.db2.gz VWNRFAPZQAQKMD-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665211 435851303 /nfs/dbraw/zinc/85/13/03/435851303.db2.gz VWNRFAPZQAQKMD-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665211 435851306 /nfs/dbraw/zinc/85/13/06/435851306.db2.gz VWNRFAPZQAQKMD-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665211 435851311 /nfs/dbraw/zinc/85/13/11/435851311.db2.gz VWNRFAPZQAQKMD-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665209 435852490 /nfs/dbraw/zinc/85/24/90/435852490.db2.gz VWNRFAPZQAQKMD-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665209 435852494 /nfs/dbraw/zinc/85/24/94/435852494.db2.gz VWNRFAPZQAQKMD-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665209 435852497 /nfs/dbraw/zinc/85/24/97/435852497.db2.gz VWNRFAPZQAQKMD-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C2 ZINC000660665209 435852501 /nfs/dbraw/zinc/85/25/01/435852501.db2.gz VWNRFAPZQAQKMD-IBGZPJMESA-N 2 2 317.477 3.177 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1c[nH+]ccc1N(C)C)C1CCCCC1 ZINC000651910454 435861760 /nfs/dbraw/zinc/86/17/60/435861760.db2.gz UJVVDUBWBJVVHP-UHFFFAOYSA-N 3 2 318.509 3.282 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1c[nH+]ccc1N(C)C)C1CCCCC1 ZINC000651910454 435861765 /nfs/dbraw/zinc/86/17/65/435861765.db2.gz UJVVDUBWBJVVHP-UHFFFAOYSA-N 3 2 318.509 3.282 20 0 DGADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@@H+]1C ZINC000642194103 435869292 /nfs/dbraw/zinc/86/92/92/435869292.db2.gz VALXCSMMQZKGDL-PWSUYJOCSA-N 2 2 313.380 3.145 20 0 DGADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@H+]1C ZINC000642194103 435869294 /nfs/dbraw/zinc/86/92/94/435869294.db2.gz VALXCSMMQZKGDL-PWSUYJOCSA-N 2 2 313.380 3.145 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cs2)cc1 ZINC000641802469 435826879 /nfs/dbraw/zinc/82/68/79/435826879.db2.gz LKZXHGPDFPYYPW-GJZGRUSLSA-N 2 2 317.458 3.034 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000651983433 435885793 /nfs/dbraw/zinc/88/57/93/435885793.db2.gz YWUWPCGQXAWHLE-JTDSTZFVSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000651983433 435885798 /nfs/dbraw/zinc/88/57/98/435885798.db2.gz YWUWPCGQXAWHLE-JTDSTZFVSA-N 2 2 302.462 3.227 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3nc(C)[nH+]cc3C)CC2)s1 ZINC000656127424 435897038 /nfs/dbraw/zinc/89/70/38/435897038.db2.gz FUOHSNZIYIDYJO-UHFFFAOYSA-N 2 2 316.474 3.040 20 0 DGADLP CC[NH+](CC)CCCC1CCN(c2nc[nH+]c(C)c2OC)CC1 ZINC000656156006 435903378 /nfs/dbraw/zinc/90/33/78/435903378.db2.gz OYSGXCKVKUZYIT-UHFFFAOYSA-N 2 2 320.481 3.132 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](CCc4ccncc4)CC3)[nH]c2c1 ZINC000660852732 435908634 /nfs/dbraw/zinc/90/86/34/435908634.db2.gz GJLPHKIJHJWZGM-UHFFFAOYSA-N 2 2 320.440 3.455 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CO1 ZINC000660858534 435910528 /nfs/dbraw/zinc/91/05/28/435910528.db2.gz NCYMDJOFZADFRN-OAHLLOKOSA-N 2 2 313.445 3.385 20 0 DGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203088 435922750 /nfs/dbraw/zinc/92/27/50/435922750.db2.gz AFVVECVJJFEZDX-OALUTQOASA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203088 435922754 /nfs/dbraw/zinc/92/27/54/435922754.db2.gz AFVVECVJJFEZDX-OALUTQOASA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(F)cc1 ZINC000652203633 435923252 /nfs/dbraw/zinc/92/32/52/435923252.db2.gz TYGMHWUNBSIIRY-RTBURBONSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(F)cc1 ZINC000652203633 435923255 /nfs/dbraw/zinc/92/32/55/435923255.db2.gz TYGMHWUNBSIIRY-RTBURBONSA-N 2 2 322.468 3.349 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665237679 435924796 /nfs/dbraw/zinc/92/47/96/435924796.db2.gz HGOCGPUONBQBFH-NSHDSACASA-N 2 2 323.362 3.430 20 0 DGADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251479 435929379 /nfs/dbraw/zinc/92/93/79/435929379.db2.gz PZPWOLJLJVCZSS-KFKAGJAMSA-N 2 2 309.457 3.440 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000665255658 435930676 /nfs/dbraw/zinc/93/06/76/435930676.db2.gz YTNZXHDPOWMHRQ-FHWLQOOXSA-N 2 2 314.473 3.453 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)o1 ZINC000660955361 435932383 /nfs/dbraw/zinc/93/23/83/435932383.db2.gz SUVAVTQIWGWGJN-UHFFFAOYSA-N 2 2 312.373 3.021 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000665257293 435933314 /nfs/dbraw/zinc/93/33/14/435933314.db2.gz FIJHVEHHMSPCOT-IUIKQTSFSA-N 2 2 319.449 3.387 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665267476 435934266 /nfs/dbraw/zinc/93/42/66/435934266.db2.gz XIKHHTKWMCPDEJ-JYJNAYRXSA-N 2 2 310.388 3.123 20 0 DGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000665278200 435935418 /nfs/dbraw/zinc/93/54/18/435935418.db2.gz YAOOZQICMOWABY-VXKCQOAXSA-N 2 2 306.837 3.204 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3[C@@H](C)CCC3(C)C)c2cc1C ZINC000650286448 435879548 /nfs/dbraw/zinc/87/95/48/435879548.db2.gz PJGUIQHGDMOGEJ-HOTGVXAUSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3[C@@H](C)CCC3(C)C)c2cc1C ZINC000650286448 435879552 /nfs/dbraw/zinc/87/95/52/435879552.db2.gz PJGUIQHGDMOGEJ-HOTGVXAUSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)no1 ZINC000647175329 435963964 /nfs/dbraw/zinc/96/39/64/435963964.db2.gz JZISPZOUGFBBHD-KRWDZBQOSA-N 2 2 311.429 3.270 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)no1 ZINC000647175329 435963969 /nfs/dbraw/zinc/96/39/69/435963969.db2.gz JZISPZOUGFBBHD-KRWDZBQOSA-N 2 2 311.429 3.270 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000647207943 435974891 /nfs/dbraw/zinc/97/48/91/435974891.db2.gz WAJRGTYGAWKKMF-UHFFFAOYSA-N 2 2 324.472 3.287 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(CO)cc2)C[N@@H+]1Cc1ccccc1 ZINC000647229556 435982721 /nfs/dbraw/zinc/98/27/21/435982721.db2.gz YYDUFCFXBYNKRR-HXUWFJFHSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(CO)cc2)C[N@H+]1Cc1ccccc1 ZINC000647229556 435982725 /nfs/dbraw/zinc/98/27/25/435982725.db2.gz YYDUFCFXBYNKRR-HXUWFJFHSA-N 2 2 324.468 3.322 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000647243277 435988579 /nfs/dbraw/zinc/98/85/79/435988579.db2.gz HFJVXMCCPQHILQ-OGWHTMIXSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000647243277 435988584 /nfs/dbraw/zinc/98/85/84/435988584.db2.gz HFJVXMCCPQHILQ-OGWHTMIXSA-N 2 2 304.478 3.209 20 0 DGADLP Fc1ccccc1C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665279769 435938771 /nfs/dbraw/zinc/93/87/71/435938771.db2.gz LURBMUOCRLWWMY-YHDJDMAPSA-N 2 2 310.416 3.451 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000665295439 435942194 /nfs/dbraw/zinc/94/21/94/435942194.db2.gz DOSJFVKOABQKHS-NEPJUHHUSA-N 2 2 319.474 3.386 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000665298550 435942960 /nfs/dbraw/zinc/94/29/60/435942960.db2.gz YAAVDFGXTKNOQV-QMTHXVAHSA-N 2 2 311.267 3.369 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647287516 436000202 /nfs/dbraw/zinc/00/02/02/436000202.db2.gz JFQJXKQTTXBLEN-INIZCTEOSA-N 2 2 306.498 3.382 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccncc1 ZINC000647290984 436002576 /nfs/dbraw/zinc/00/25/76/436002576.db2.gz AQDGGMDWLDONFO-DLBZAZTESA-N 2 2 307.507 3.196 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000656703636 436016344 /nfs/dbraw/zinc/01/63/44/436016344.db2.gz ZEUNVKFJGJJPSV-HNNXBMFYSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000656703636 436016348 /nfs/dbraw/zinc/01/63/48/436016348.db2.gz ZEUNVKFJGJJPSV-HNNXBMFYSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCc4cccnc4CC3)cn21 ZINC000647364293 436031834 /nfs/dbraw/zinc/03/18/34/436031834.db2.gz WZCYMNNXAWCVAB-KRWDZBQOSA-N 2 2 320.440 3.117 20 0 DGADLP c1nc(C2CC2)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000656789331 436046409 /nfs/dbraw/zinc/04/64/09/436046409.db2.gz VVTZAOUPLWUDFZ-HZPDHXFCSA-N 2 2 313.470 3.256 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2)cc1F ZINC000656791326 436046865 /nfs/dbraw/zinc/04/68/65/436046865.db2.gz YHTDVSSBSKCOIU-WMZOPIPTSA-N 2 2 314.404 3.070 20 0 DGADLP Cc1ccc(CCCNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c[nH+]1 ZINC000656793873 436050611 /nfs/dbraw/zinc/05/06/11/436050611.db2.gz WDQPCMMYQIJDFG-IBGZPJMESA-N 2 2 311.429 3.096 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708589 435995441 /nfs/dbraw/zinc/99/54/41/435995441.db2.gz GGFZFACZGYXEIJ-KXBFYZLASA-N 2 2 312.461 3.007 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708589 435995445 /nfs/dbraw/zinc/99/54/45/435995445.db2.gz GGFZFACZGYXEIJ-KXBFYZLASA-N 2 2 312.461 3.007 20 0 DGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1[NH3+] ZINC000647498183 436066588 /nfs/dbraw/zinc/06/65/88/436066588.db2.gz CEMDRJDXHBRTOM-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1[NH3+] ZINC000647498183 436066590 /nfs/dbraw/zinc/06/65/90/436066590.db2.gz CEMDRJDXHBRTOM-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc(C)c1OC(F)F ZINC000647533731 436074414 /nfs/dbraw/zinc/07/44/14/436074414.db2.gz XPYREFYRPRPETC-GJZGRUSLSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc(C)c1OC(F)F ZINC000647533731 436074417 /nfs/dbraw/zinc/07/44/17/436074417.db2.gz XPYREFYRPRPETC-GJZGRUSLSA-N 2 2 310.388 3.089 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647542461 436078424 /nfs/dbraw/zinc/07/84/24/436078424.db2.gz RADXJBLTZWUHCI-GWCFXTLKSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647542461 436078429 /nfs/dbraw/zinc/07/84/29/436078429.db2.gz RADXJBLTZWUHCI-GWCFXTLKSA-N 2 2 316.779 3.125 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)cn21 ZINC000647553907 436082317 /nfs/dbraw/zinc/08/23/17/436082317.db2.gz MUSPTUQCSPXCHG-DOTOQJQBSA-N 3 2 314.477 3.086 20 0 DGADLP CCCOc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OC ZINC000647554234 436082509 /nfs/dbraw/zinc/08/25/09/436082509.db2.gz UTJFZSRBMGSJES-SFHVURJKSA-N 2 2 318.461 3.248 20 0 DGADLP Brc1csc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554349 436084902 /nfs/dbraw/zinc/08/49/02/436084902.db2.gz XKDPOPVIBLYCQG-GFCCVEGCSA-N 2 2 315.280 3.275 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657304427 436126647 /nfs/dbraw/zinc/12/66/47/436126647.db2.gz HGKOZEPDTSAWAV-UHFFFAOYSA-N 2 2 304.356 3.247 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657304427 436126654 /nfs/dbraw/zinc/12/66/54/436126654.db2.gz HGKOZEPDTSAWAV-UHFFFAOYSA-N 2 2 304.356 3.247 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000657307364 436129077 /nfs/dbraw/zinc/12/90/77/436129077.db2.gz OGKRCUWSYQOQQS-LLVKDONJSA-N 2 2 314.351 3.001 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000657307364 436129083 /nfs/dbraw/zinc/12/90/83/436129083.db2.gz OGKRCUWSYQOQQS-LLVKDONJSA-N 2 2 314.351 3.001 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000651211888 436139100 /nfs/dbraw/zinc/13/91/00/436139100.db2.gz IHSHGMILUFJEEI-IBGZPJMESA-N 3 2 307.526 3.103 20 0 DGADLP COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@@H](C)[NH3+])cc1 ZINC000647884410 436140582 /nfs/dbraw/zinc/14/05/82/436140582.db2.gz MHMLPOWVLUASHL-OAHLLOKOSA-N 2 2 314.429 3.053 20 0 DGADLP Clc1ccc(OCCCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657332626 436141840 /nfs/dbraw/zinc/14/18/40/436141840.db2.gz MEYYRRNDXVCYTI-UHFFFAOYSA-N 2 2 319.836 3.432 20 0 DGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903488 436144658 /nfs/dbraw/zinc/14/46/58/436144658.db2.gz KHCWAPZBPGZHNC-GUYCJALGSA-N 2 2 310.844 3.486 20 0 DGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903488 436144660 /nfs/dbraw/zinc/14/46/60/436144660.db2.gz KHCWAPZBPGZHNC-GUYCJALGSA-N 2 2 310.844 3.486 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(Oc3ccccc3)nc1)CCC2 ZINC000657339078 436145170 /nfs/dbraw/zinc/14/51/70/436145170.db2.gz LBUZAZTXSNMDHZ-UHFFFAOYSA-N 2 2 320.396 3.306 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000651238831 436146922 /nfs/dbraw/zinc/14/69/22/436146922.db2.gz HOKMPXMQMBAVKA-DOTOQJQBSA-N 2 2 323.444 3.271 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925527 436152030 /nfs/dbraw/zinc/15/20/30/436152030.db2.gz MLLDTVCVZDRSHF-NSHDSACASA-N 2 2 320.824 3.264 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@@H]1[NH3+] ZINC000647937771 436152548 /nfs/dbraw/zinc/15/25/48/436152548.db2.gz AXWNUTXOVADHJC-NFAWXSAZSA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@@H]1[NH3+] ZINC000647937771 436152553 /nfs/dbraw/zinc/15/25/53/436152553.db2.gz AXWNUTXOVADHJC-NFAWXSAZSA-N 2 2 323.868 3.035 20 0 DGADLP CC[NH+](CC)[C@@H](CNCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657286827 436113973 /nfs/dbraw/zinc/11/39/73/436113973.db2.gz SLDKJPRFTWOUBI-SFHVURJKSA-N 2 2 312.461 3.002 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1OCC ZINC000657290838 436117967 /nfs/dbraw/zinc/11/79/67/436117967.db2.gz TXQGIPHSQZKJAZ-CYBMUJFWSA-N 2 2 317.433 3.377 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)CC(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000647800453 436122404 /nfs/dbraw/zinc/12/24/04/436122404.db2.gz BNGCXKHRCKRJPW-MJEQTWJJSA-N 2 2 312.404 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(OC)c2)[NH+](CC)CC)CO1 ZINC000657298155 436122953 /nfs/dbraw/zinc/12/29/53/436122953.db2.gz TVDIXRYFUFLERA-YQVWRLOYSA-N 2 2 320.477 3.235 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000647800454 436122986 /nfs/dbraw/zinc/12/29/86/436122986.db2.gz BNGCXKHRCKRJPW-NUTKFTJISA-N 2 2 312.404 3.369 20 0 DGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000651263088 436158556 /nfs/dbraw/zinc/15/85/56/436158556.db2.gz CAGUOQHSVFYLRI-HZPDHXFCSA-N 2 2 317.477 3.428 20 0 DGADLP COc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCCC2)cc1 ZINC000657367652 436160262 /nfs/dbraw/zinc/16/02/62/436160262.db2.gz RTNAKSXMRIPMLV-UHFFFAOYSA-N 2 2 311.429 3.397 20 0 DGADLP C[C@H]([NH2+]C(C)(C)CNCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657365360 436160824 /nfs/dbraw/zinc/16/08/24/436160824.db2.gz DJNVOFCOHAVEPZ-HNNXBMFYSA-N 2 2 312.461 3.048 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000657352556 436155887 /nfs/dbraw/zinc/15/58/87/436155887.db2.gz JDCCPZHYNRRSRL-CYBMUJFWSA-N 2 2 319.474 3.318 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666178353 436166289 /nfs/dbraw/zinc/16/62/89/436166289.db2.gz KUQNNNMJNAIEFA-KSZLIROESA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666178353 436166293 /nfs/dbraw/zinc/16/62/93/436166293.db2.gz KUQNNNMJNAIEFA-KSZLIROESA-N 2 2 302.462 3.197 20 0 DGADLP COCC[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194284 436170615 /nfs/dbraw/zinc/17/06/15/436170615.db2.gz SKJWEASFZRRITH-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194284 436170618 /nfs/dbraw/zinc/17/06/18/436170618.db2.gz SKJWEASFZRRITH-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657383219 436171149 /nfs/dbraw/zinc/17/11/49/436171149.db2.gz NKNQMDJMAGQWEI-KRWDZBQOSA-N 2 2 301.409 3.325 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000648013749 436180328 /nfs/dbraw/zinc/18/03/28/436180328.db2.gz QAPNRZYFLYYQRG-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000648013749 436180333 /nfs/dbraw/zinc/18/03/33/436180333.db2.gz QAPNRZYFLYYQRG-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000648013749 436180334 /nfs/dbraw/zinc/18/03/34/436180334.db2.gz QAPNRZYFLYYQRG-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000648013749 436180337 /nfs/dbraw/zinc/18/03/37/436180337.db2.gz QAPNRZYFLYYQRG-QUCCMNQESA-N 2 2 324.472 3.097 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000651397260 436186849 /nfs/dbraw/zinc/18/68/49/436186849.db2.gz CEZYBZAEVPGOSJ-DLBZAZTESA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000651397260 436186854 /nfs/dbraw/zinc/18/68/54/436186854.db2.gz CEZYBZAEVPGOSJ-DLBZAZTESA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000657525259 436234277 /nfs/dbraw/zinc/23/42/77/436234277.db2.gz WVHBAGNVOLCWLH-CYBMUJFWSA-N 2 2 324.852 3.074 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000657525259 436234279 /nfs/dbraw/zinc/23/42/79/436234279.db2.gz WVHBAGNVOLCWLH-CYBMUJFWSA-N 2 2 324.852 3.074 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523716 436234463 /nfs/dbraw/zinc/23/44/63/436234463.db2.gz IFVORJBGKUBVMF-HNNXBMFYSA-N 2 2 306.498 3.217 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523716 436234466 /nfs/dbraw/zinc/23/44/66/436234466.db2.gz IFVORJBGKUBVMF-HNNXBMFYSA-N 2 2 306.498 3.217 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000657527137 436235820 /nfs/dbraw/zinc/23/58/20/436235820.db2.gz RIDRESUZWMTZLE-ZDUSSCGKSA-N 2 2 316.367 3.373 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000657527137 436235826 /nfs/dbraw/zinc/23/58/26/436235826.db2.gz RIDRESUZWMTZLE-ZDUSSCGKSA-N 2 2 316.367 3.373 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531769 436237044 /nfs/dbraw/zinc/23/70/44/436237044.db2.gz YHYRDGHEGPXWRD-IAGOWNOFSA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531769 436237046 /nfs/dbraw/zinc/23/70/46/436237046.db2.gz YHYRDGHEGPXWRD-IAGOWNOFSA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531770 436237592 /nfs/dbraw/zinc/23/75/92/436237592.db2.gz YHYRDGHEGPXWRD-IRXDYDNUSA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531770 436237596 /nfs/dbraw/zinc/23/75/96/436237596.db2.gz YHYRDGHEGPXWRD-IRXDYDNUSA-N 2 2 302.462 3.197 20 0 DGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCC1 ZINC000657558634 436243558 /nfs/dbraw/zinc/24/35/58/436243558.db2.gz FILZHZFMMJZILR-SFHVURJKSA-N 2 2 322.880 3.055 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CO1 ZINC000657415021 436188346 /nfs/dbraw/zinc/18/83/46/436188346.db2.gz ZCGRLZBPPYPKAX-YQVWRLOYSA-N 2 2 313.445 3.398 20 0 DGADLP Cc1c[nH]c(CNc2ccc(C[NH+](C)C)c(Br)c2)[nH+]1 ZINC000657445397 436204910 /nfs/dbraw/zinc/20/49/10/436204910.db2.gz GPVSMYWEMPLGLV-UHFFFAOYSA-N 2 2 323.238 3.154 20 0 DGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452254 436207185 /nfs/dbraw/zinc/20/71/85/436207185.db2.gz CQYMENDDKSLPTF-GOSISDBHSA-N 2 2 312.461 3.076 20 0 DGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452254 436207191 /nfs/dbraw/zinc/20/71/91/436207191.db2.gz CQYMENDDKSLPTF-GOSISDBHSA-N 2 2 312.461 3.076 20 0 DGADLP Fc1cccc(F)c1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000653566578 436210940 /nfs/dbraw/zinc/21/09/40/436210940.db2.gz ZJRLMVFVKDNHMW-UHFFFAOYSA-N 2 2 305.372 3.431 20 0 DGADLP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657467322 436215066 /nfs/dbraw/zinc/21/50/66/436215066.db2.gz ZHNLXHRNIGOEKN-DLBZAZTESA-N 2 2 311.429 3.165 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590455 436218765 /nfs/dbraw/zinc/21/87/65/436218765.db2.gz CHMYLYGFAAIOML-DZGCQCFKSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590455 436218769 /nfs/dbraw/zinc/21/87/69/436218769.db2.gz CHMYLYGFAAIOML-DZGCQCFKSA-N 2 2 323.400 3.021 20 0 DGADLP COC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)cc1 ZINC000657481280 436221468 /nfs/dbraw/zinc/22/14/68/436221468.db2.gz MNJVWWJSZZAYOK-AWEZNQCLSA-N 2 2 319.836 3.003 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)n1C ZINC000657499668 436229042 /nfs/dbraw/zinc/22/90/42/436229042.db2.gz AXDPPVIKVRMMMT-OAHLLOKOSA-N 2 2 303.381 3.260 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752542 436295287 /nfs/dbraw/zinc/29/52/87/436295287.db2.gz PMBHBBXLZVJJPJ-MRXNPFEDSA-N 2 2 322.880 3.245 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666855314 436295606 /nfs/dbraw/zinc/29/56/06/436295606.db2.gz LPNAKYOPDHNTGJ-HNNXBMFYSA-N 2 2 301.459 3.350 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657588185 436255825 /nfs/dbraw/zinc/25/58/25/436255825.db2.gz PCJNAORVPDMXQZ-FXAWDEMLSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657588185 436255829 /nfs/dbraw/zinc/25/58/29/436255829.db2.gz PCJNAORVPDMXQZ-FXAWDEMLSA-N 2 2 309.457 3.185 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662051385 436259374 /nfs/dbraw/zinc/25/93/74/436259374.db2.gz LRWYYQRZMUMBCU-CQSZACIVSA-N 2 2 319.276 3.348 20 0 DGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657617064 436261831 /nfs/dbraw/zinc/26/18/31/436261831.db2.gz PCIGFMDZJGBXJQ-HRAATJIYSA-N 2 2 321.468 3.364 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662839 436270266 /nfs/dbraw/zinc/27/02/66/436270266.db2.gz CVYJHSOVUYLXTF-RWQQGDIJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662839 436270269 /nfs/dbraw/zinc/27/02/69/436270269.db2.gz CVYJHSOVUYLXTF-RWQQGDIJSA-N 2 2 302.462 3.054 20 0 DGADLP c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678680 436275912 /nfs/dbraw/zinc/27/59/12/436275912.db2.gz UBXOLBWAWNDRGB-ZWKOTPCHSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678680 436275918 /nfs/dbraw/zinc/27/59/18/436275918.db2.gz UBXOLBWAWNDRGB-ZWKOTPCHSA-N 2 2 313.489 3.262 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000666762115 436278093 /nfs/dbraw/zinc/27/80/93/436278093.db2.gz VJCVLIFVYFEOQA-ZACCUICWSA-N 2 2 316.779 3.314 20 0 DGADLP Clc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1Br ZINC000666768838 436278219 /nfs/dbraw/zinc/27/82/19/436278219.db2.gz OTQWCFAGYYLNFM-LLVKDONJSA-N 2 2 317.658 3.334 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)C[NH2+]C(C)C)cc3)[nH+]c12 ZINC000662391307 436343418 /nfs/dbraw/zinc/34/34/18/436343418.db2.gz XXLLYNPGAQZKAV-UHFFFAOYSA-N 2 2 322.412 3.246 20 0 DGADLP CCOC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657976334 436349246 /nfs/dbraw/zinc/34/92/46/436349246.db2.gz ATAHHZXKSQGPKG-ACAXCVFMSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000657976334 436349249 /nfs/dbraw/zinc/34/92/49/436349249.db2.gz ATAHHZXKSQGPKG-ACAXCVFMSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657982707 436349984 /nfs/dbraw/zinc/34/99/84/436349984.db2.gz WYGZLBPBDSHWPE-BEFAXECRSA-N 2 2 309.457 3.298 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2CCCn3nccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000657980200 436350584 /nfs/dbraw/zinc/35/05/84/436350584.db2.gz LPMKWVRCOLTANC-QUCCMNQESA-N 2 2 324.472 3.362 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2CCCn3nccc32)CCC[N@H+]1Cc1ccccc1 ZINC000657980200 436350587 /nfs/dbraw/zinc/35/05/87/436350587.db2.gz LPMKWVRCOLTANC-QUCCMNQESA-N 2 2 324.472 3.362 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCCn3nccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000657980198 436350966 /nfs/dbraw/zinc/35/09/66/436350966.db2.gz LPMKWVRCOLTANC-AZUAARDMSA-N 2 2 324.472 3.362 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCCn3nccc32)CCC[N@H+]1Cc1ccccc1 ZINC000657980198 436350967 /nfs/dbraw/zinc/35/09/67/436350967.db2.gz LPMKWVRCOLTANC-AZUAARDMSA-N 2 2 324.472 3.362 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)C[N@@H+]1C1CC1 ZINC000657770944 436300877 /nfs/dbraw/zinc/30/08/77/436300877.db2.gz VANFCOKEOFPSGO-STQMWFEESA-N 2 2 301.459 3.054 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)C[N@H+]1C1CC1 ZINC000657770944 436300880 /nfs/dbraw/zinc/30/08/80/436300880.db2.gz VANFCOKEOFPSGO-STQMWFEESA-N 2 2 301.459 3.054 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657787032 436305303 /nfs/dbraw/zinc/30/53/03/436305303.db2.gz ZNXSJAXPNFPZKD-ROUUACIJSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657787032 436305308 /nfs/dbraw/zinc/30/53/08/436305308.db2.gz ZNXSJAXPNFPZKD-ROUUACIJSA-N 2 2 316.489 3.444 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662247237 436311162 /nfs/dbraw/zinc/31/11/62/436311162.db2.gz WAORQSUWZYGVMF-NSHDSACASA-N 2 2 323.234 3.237 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662247237 436311165 /nfs/dbraw/zinc/31/11/65/436311165.db2.gz WAORQSUWZYGVMF-NSHDSACASA-N 2 2 323.234 3.237 20 0 DGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947778 436312664 /nfs/dbraw/zinc/31/26/64/436312664.db2.gz HRWDHEADYRSRGZ-VWYCJHECSA-N 2 2 305.224 3.214 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662252617 436312799 /nfs/dbraw/zinc/31/27/99/436312799.db2.gz BYHNNBIAAKPIOI-FOIQADDNSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662252617 436312803 /nfs/dbraw/zinc/31/28/03/436312803.db2.gz BYHNNBIAAKPIOI-FOIQADDNSA-N 2 2 310.441 3.354 20 0 DGADLP Clc1ccccc1C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662255826 436313216 /nfs/dbraw/zinc/31/32/16/436313216.db2.gz FAJMJTCPBUTVPN-INIZCTEOSA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccccc1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662255826 436313219 /nfs/dbraw/zinc/31/32/19/436313219.db2.gz FAJMJTCPBUTVPN-INIZCTEOSA-N 2 2 308.853 3.073 20 0 DGADLP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000657814697 436314202 /nfs/dbraw/zinc/31/42/02/436314202.db2.gz BTGDOONTHWAXOB-IEBWSBKVSA-N 2 2 310.445 3.145 20 0 DGADLP CCC[N@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000662255404 436314776 /nfs/dbraw/zinc/31/47/76/436314776.db2.gz YIQLWFCAPDKITR-GDBMZVCRSA-N 2 2 302.418 3.194 20 0 DGADLP CCC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000662255404 436314779 /nfs/dbraw/zinc/31/47/79/436314779.db2.gz YIQLWFCAPDKITR-GDBMZVCRSA-N 2 2 302.418 3.194 20 0 DGADLP COC1([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)CCC1 ZINC000657820359 436317369 /nfs/dbraw/zinc/31/73/69/436317369.db2.gz JLFSTBWJHIXWND-CQSZACIVSA-N 2 2 301.434 3.282 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000657820403 436318085 /nfs/dbraw/zinc/31/80/85/436318085.db2.gz KECKSFPMBVOXCZ-PBHICJAKSA-N 2 2 307.401 3.255 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666978941 436319031 /nfs/dbraw/zinc/31/90/31/436319031.db2.gz JNMHDYVUEUPUNZ-MRXNPFEDSA-N 2 2 320.868 3.048 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)sc2c1 ZINC000666993661 436320131 /nfs/dbraw/zinc/32/01/31/436320131.db2.gz ABTIGNLLZFDAPR-GFCCVEGCSA-N 2 2 317.458 3.069 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1OC ZINC000666992505 436321169 /nfs/dbraw/zinc/32/11/69/436321169.db2.gz PJSKHTTWEJOIOP-HOCLYGCPSA-N 2 2 306.450 3.104 20 0 DGADLP c1ccc2c(CC[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)nsc2c1 ZINC000662275211 436321661 /nfs/dbraw/zinc/32/16/61/436321661.db2.gz VXKFQVXBHWDFDP-IAGOWNOFSA-N 2 2 315.486 3.445 20 0 DGADLP c1ccc2c(CC[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)nsc2c1 ZINC000662275211 436321663 /nfs/dbraw/zinc/32/16/63/436321663.db2.gz VXKFQVXBHWDFDP-IAGOWNOFSA-N 2 2 315.486 3.445 20 0 DGADLP CCCn1c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nc2ccccc21 ZINC000666998410 436322461 /nfs/dbraw/zinc/32/24/61/436322461.db2.gz SEDRLMIKYDOOIO-OAHLLOKOSA-N 2 2 312.461 3.211 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999447 436322481 /nfs/dbraw/zinc/32/24/81/436322481.db2.gz JFHFLYJAFDPSBT-HNNXBMFYSA-N 2 2 317.452 3.190 20 0 DGADLP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000662280909 436323920 /nfs/dbraw/zinc/32/39/20/436323920.db2.gz HFPUQEHFGKGDBN-TUKIKUTGSA-N 2 2 300.368 3.234 20 0 DGADLP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000662280909 436323926 /nfs/dbraw/zinc/32/39/26/436323926.db2.gz HFPUQEHFGKGDBN-TUKIKUTGSA-N 2 2 300.368 3.234 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000657870976 436329979 /nfs/dbraw/zinc/32/99/79/436329979.db2.gz HLHBHGRWVZCIAY-NXHRZFHOSA-N 2 2 310.445 3.143 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657867624 436330583 /nfs/dbraw/zinc/33/05/83/436330583.db2.gz IFESLLPTAHLECD-UKRRQHHQSA-N 2 2 319.474 3.058 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657867624 436330585 /nfs/dbraw/zinc/33/05/85/436330585.db2.gz IFESLLPTAHLECD-UKRRQHHQSA-N 2 2 319.474 3.058 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657880099 436331840 /nfs/dbraw/zinc/33/18/40/436331840.db2.gz LFMBKYIQLJDALW-IXDOHACOSA-N 2 2 308.510 3.290 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000662323660 436331997 /nfs/dbraw/zinc/33/19/97/436331997.db2.gz ONZLKBLANTZGMV-MRXNPFEDSA-N 2 2 312.404 3.167 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000662323660 436332000 /nfs/dbraw/zinc/33/20/00/436332000.db2.gz ONZLKBLANTZGMV-MRXNPFEDSA-N 2 2 312.404 3.167 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657894730 436334894 /nfs/dbraw/zinc/33/48/94/436334894.db2.gz BCTBXLHGLPPYLR-IRXDYDNUSA-N 2 2 311.429 3.005 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCn2nccc21 ZINC000657900952 436336442 /nfs/dbraw/zinc/33/64/42/436336442.db2.gz OAZIPEOYTBMUFV-QRQLOZEOSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCn2nccc21 ZINC000657900952 436336444 /nfs/dbraw/zinc/33/64/44/436336444.db2.gz OAZIPEOYTBMUFV-QRQLOZEOSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCn2nccc21 ZINC000657900951 436336963 /nfs/dbraw/zinc/33/69/63/436336963.db2.gz OAZIPEOYTBMUFV-NZSAHSFTSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCn2nccc21 ZINC000657900951 436336968 /nfs/dbraw/zinc/33/69/68/436336968.db2.gz OAZIPEOYTBMUFV-NZSAHSFTSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1Cc1ccccc1 ZINC000658014516 436353824 /nfs/dbraw/zinc/35/38/24/436353824.db2.gz WOZXNCNTQRHJKH-RHSMWYFYSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1Cc1ccccc1 ZINC000658014516 436353827 /nfs/dbraw/zinc/35/38/27/436353827.db2.gz WOZXNCNTQRHJKH-RHSMWYFYSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055463 436360222 /nfs/dbraw/zinc/36/02/22/436360222.db2.gz JBVFWOMSRYCMNS-HOCLYGCPSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055463 436360226 /nfs/dbraw/zinc/36/02/26/436360226.db2.gz JBVFWOMSRYCMNS-HOCLYGCPSA-N 2 2 318.461 3.371 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658053910 436360567 /nfs/dbraw/zinc/36/05/67/436360567.db2.gz BXCPQUUKYYXITQ-NVXWUHKLSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658053910 436360570 /nfs/dbraw/zinc/36/05/70/436360570.db2.gz BXCPQUUKYYXITQ-NVXWUHKLSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658053914 436360587 /nfs/dbraw/zinc/36/05/87/436360587.db2.gz BXCPQUUKYYXITQ-WBVHZDCISA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658053914 436360590 /nfs/dbraw/zinc/36/05/90/436360590.db2.gz BXCPQUUKYYXITQ-WBVHZDCISA-N 2 2 317.477 3.175 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](CC)[NH2+]C)c1 ZINC000662535694 436360613 /nfs/dbraw/zinc/36/06/13/436360613.db2.gz OFJZIJJWZZAYKV-MRXNPFEDSA-N 2 2 314.433 3.287 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658056978 436360844 /nfs/dbraw/zinc/36/08/44/436360844.db2.gz MUYYIDLMDIROPN-ZFWWWQNUSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658056978 436360847 /nfs/dbraw/zinc/36/08/47/436360847.db2.gz MUYYIDLMDIROPN-ZFWWWQNUSA-N 2 2 306.450 3.227 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662534672 436360854 /nfs/dbraw/zinc/36/08/54/436360854.db2.gz NRNKJUVGNXTQNC-AWEZNQCLSA-N 2 2 314.433 3.335 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000658058657 436362183 /nfs/dbraw/zinc/36/21/83/436362183.db2.gz FVVQPPUFXPBTPS-DGCLKSJQSA-N 2 2 311.857 3.267 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000658058657 436362186 /nfs/dbraw/zinc/36/21/86/436362186.db2.gz FVVQPPUFXPBTPS-DGCLKSJQSA-N 2 2 311.857 3.267 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093016 436373627 /nfs/dbraw/zinc/37/36/27/436373627.db2.gz SVCCLENLNOOLEO-IEBWSBKVSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093016 436373630 /nfs/dbraw/zinc/37/36/30/436373630.db2.gz SVCCLENLNOOLEO-IEBWSBKVSA-N 2 2 316.489 3.479 20 0 DGADLP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000662706353 436380377 /nfs/dbraw/zinc/38/03/77/436380377.db2.gz BDSOZNHWZJOADA-CQSZACIVSA-N 2 2 319.792 3.464 20 0 DGADLP Cc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000658178067 436396379 /nfs/dbraw/zinc/39/63/79/436396379.db2.gz WHNTUGKYITWFEO-UHFFFAOYSA-N 2 2 309.457 3.500 20 0 DGADLP C[C@]1(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1(F)F ZINC000658218759 436401971 /nfs/dbraw/zinc/40/19/71/436401971.db2.gz GESQVWPEBXIHNE-INIZCTEOSA-N 2 2 309.404 3.071 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056522 436359296 /nfs/dbraw/zinc/35/92/96/436359296.db2.gz LOJKNHNRMUNEPC-ZBFHGGJFSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056522 436359298 /nfs/dbraw/zinc/35/92/98/436359298.db2.gz LOJKNHNRMUNEPC-ZBFHGGJFSA-N 2 2 318.461 3.199 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000658056323 436359336 /nfs/dbraw/zinc/35/93/36/436359336.db2.gz PROOTPLFGCLBJU-XBMUEBEBSA-N 2 2 302.462 3.056 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658056323 436359340 /nfs/dbraw/zinc/35/93/40/436359340.db2.gz PROOTPLFGCLBJU-XBMUEBEBSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056517 436359750 /nfs/dbraw/zinc/35/97/50/436359750.db2.gz LOJKNHNRMUNEPC-GOEBONIOSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056517 436359751 /nfs/dbraw/zinc/35/97/51/436359751.db2.gz LOJKNHNRMUNEPC-GOEBONIOSA-N 2 2 318.461 3.199 20 0 DGADLP CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658331502 436432535 /nfs/dbraw/zinc/43/25/35/436432535.db2.gz MXUXLPACUSBTMV-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658331502 436432538 /nfs/dbraw/zinc/43/25/38/436432538.db2.gz MXUXLPACUSBTMV-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NCC[N@@H+]1CCc2ccccc2C1 ZINC000663382846 436449663 /nfs/dbraw/zinc/44/96/63/436449663.db2.gz YVQGSKUJSRUUTN-UHFFFAOYSA-N 2 2 318.424 3.287 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NCC[N@H+]1CCc2ccccc2C1 ZINC000663382846 436449676 /nfs/dbraw/zinc/44/96/76/436449676.db2.gz YVQGSKUJSRUUTN-UHFFFAOYSA-N 2 2 318.424 3.287 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284983 436417393 /nfs/dbraw/zinc/41/73/93/436417393.db2.gz JELASBFSZPNEND-VYDXJSESSA-N 2 2 320.477 3.270 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284983 436417400 /nfs/dbraw/zinc/41/74/00/436417400.db2.gz JELASBFSZPNEND-VYDXJSESSA-N 2 2 320.477 3.270 20 0 DGADLP Cc1ccc(C2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000658294260 436420102 /nfs/dbraw/zinc/42/01/02/436420102.db2.gz MKYOGSMAUNYZOZ-LYBXBRPPSA-N 2 2 314.473 3.084 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000658294109 436420485 /nfs/dbraw/zinc/42/04/85/436420485.db2.gz GFJYKORVHPHRTB-FZMZJTMJSA-N 2 2 314.882 3.305 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000658295712 436420928 /nfs/dbraw/zinc/42/09/28/436420928.db2.gz VHMSRWKASRZODM-BBRMVZONSA-N 2 2 320.502 3.141 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000658295391 436420975 /nfs/dbraw/zinc/42/09/75/436420975.db2.gz MJFYMLRHQCCDFR-RTBURBONSA-N 2 2 302.462 3.289 20 0 DGADLP CCCCCOc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1OC ZINC000663499010 436470031 /nfs/dbraw/zinc/47/00/31/436470031.db2.gz ULSMAAGUUNPDMZ-UHFFFAOYSA-N 2 2 318.461 3.106 20 0 DGADLP Clc1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)o2)cc1 ZINC000663501184 436470770 /nfs/dbraw/zinc/47/07/70/436470770.db2.gz CHCIUJAJARGFTA-UHFFFAOYSA-N 2 2 302.805 3.442 20 0 DGADLP c1ccc(COc2ccccc2C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663498057 436471223 /nfs/dbraw/zinc/47/12/23/436471223.db2.gz JQIDWBNHFIIDNF-UHFFFAOYSA-N 2 2 308.425 3.107 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000663642290 436485076 /nfs/dbraw/zinc/48/50/76/436485076.db2.gz FKUVKAMBJJPCRK-HNNXBMFYSA-N 2 2 310.445 3.272 20 0 DGADLP CC[NH+](CC)[C@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000663673669 436489993 /nfs/dbraw/zinc/48/99/93/436489993.db2.gz LYALOOPZOVQPHD-ZDUSSCGKSA-N 2 2 301.356 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000663730094 436497849 /nfs/dbraw/zinc/49/78/49/436497849.db2.gz WZEWAHRMAHKMTE-OCCSQVGLSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000663730094 436497851 /nfs/dbraw/zinc/49/78/51/436497851.db2.gz WZEWAHRMAHKMTE-OCCSQVGLSA-N 2 2 313.367 3.329 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009914 436578389 /nfs/dbraw/zinc/57/83/89/436578389.db2.gz CYMSALTTZAWGBE-CZUORRHYSA-N 2 2 301.459 3.212 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009914 436578392 /nfs/dbraw/zinc/57/83/92/436578392.db2.gz CYMSALTTZAWGBE-CZUORRHYSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009914 436578394 /nfs/dbraw/zinc/57/83/94/436578394.db2.gz CYMSALTTZAWGBE-CZUORRHYSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nsc4ccccc43)CC[C@H]21 ZINC000660009914 436578396 /nfs/dbraw/zinc/57/83/96/436578396.db2.gz CYMSALTTZAWGBE-CZUORRHYSA-N 2 2 301.459 3.212 20 0 DGADLP CN(CCC[N@H+](C)Cc1ccco1)c1[nH+]ccc2c(N)cccc21 ZINC000663910029 436526904 /nfs/dbraw/zinc/52/69/04/436526904.db2.gz RHFBPXIWUTZVRH-UHFFFAOYSA-N 2 2 324.428 3.368 20 0 DGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1[nH+]ccc2c(N)cccc21 ZINC000663910029 436526908 /nfs/dbraw/zinc/52/69/08/436526908.db2.gz RHFBPXIWUTZVRH-UHFFFAOYSA-N 2 2 324.428 3.368 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc(C)n1 ZINC000659864605 436549181 /nfs/dbraw/zinc/54/91/81/436549181.db2.gz LLCDZRGPIYMORB-SFHVURJKSA-N 2 2 316.493 3.037 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc(C)n1 ZINC000659864605 436549183 /nfs/dbraw/zinc/54/91/83/436549183.db2.gz LLCDZRGPIYMORB-SFHVURJKSA-N 2 2 316.493 3.037 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000659878917 436553575 /nfs/dbraw/zinc/55/35/75/436553575.db2.gz RXEZAIZBUAXFPO-HNNXBMFYSA-N 2 2 323.506 3.240 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000659878917 436553578 /nfs/dbraw/zinc/55/35/78/436553578.db2.gz RXEZAIZBUAXFPO-HNNXBMFYSA-N 2 2 323.506 3.240 20 0 DGADLP c1ccc2nc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000659943580 436565236 /nfs/dbraw/zinc/56/52/36/436565236.db2.gz CPNHMTWUELIOMW-QGZVFWFLSA-N 2 2 310.445 3.080 20 0 DGADLP c1ccc2nc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000659943580 436565239 /nfs/dbraw/zinc/56/52/39/436565239.db2.gz CPNHMTWUELIOMW-QGZVFWFLSA-N 2 2 310.445 3.080 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659977436 436572455 /nfs/dbraw/zinc/57/24/55/436572455.db2.gz ZFJHSCLMWDTNSY-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659977436 436572458 /nfs/dbraw/zinc/57/24/58/436572458.db2.gz ZFJHSCLMWDTNSY-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655687120 436574983 /nfs/dbraw/zinc/57/49/83/436574983.db2.gz VPEXYHNEWHEKGR-UXHICEINSA-N 2 2 314.473 3.289 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCc3nsc4ccccc34)C2)[nH]1 ZINC000660078264 436586398 /nfs/dbraw/zinc/58/63/98/436586398.db2.gz SWURIWYJHQYXBI-CYBMUJFWSA-N 2 2 312.442 3.442 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCc3nsc4ccccc34)C2)[nH]1 ZINC000660078264 436586404 /nfs/dbraw/zinc/58/64/04/436586404.db2.gz SWURIWYJHQYXBI-CYBMUJFWSA-N 2 2 312.442 3.442 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000660130549 436592646 /nfs/dbraw/zinc/59/26/46/436592646.db2.gz YGOBJLXXKABGFO-LBPRGKRZSA-N 2 2 323.412 3.280 20 0 DGADLP COc1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1Cl ZINC000660167377 436598540 /nfs/dbraw/zinc/59/85/40/436598540.db2.gz QUAVHDAJPZPEGK-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP COc1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1Cl ZINC000660167377 436598543 /nfs/dbraw/zinc/59/85/43/436598543.db2.gz QUAVHDAJPZPEGK-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000297146046 302267556 /nfs/dbraw/zinc/26/75/56/302267556.db2.gz UDVCOMSUNIWDBU-INIZCTEOSA-N 2 2 318.465 3.330 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000132353642 312640537 /nfs/dbraw/zinc/64/05/37/312640537.db2.gz INJRKTQBKJCPBR-AWEZNQCLSA-N 2 2 324.350 3.354 20 0 DGADLP COc1cccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528626737 313046097 /nfs/dbraw/zinc/04/60/97/313046097.db2.gz RDYWFYZJDPEFGY-SFHVURJKSA-N 2 2 313.445 3.407 20 0 DGADLP COc1cccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528626737 313046098 /nfs/dbraw/zinc/04/60/98/313046098.db2.gz RDYWFYZJDPEFGY-SFHVURJKSA-N 2 2 313.445 3.407 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000528727007 313067174 /nfs/dbraw/zinc/06/71/74/313067174.db2.gz ODGLODHNLQMFSN-UHFFFAOYSA-N 2 2 324.415 3.311 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528794715 313085115 /nfs/dbraw/zinc/08/51/15/313085115.db2.gz QHTQUOYRFQIMJX-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528794715 313085117 /nfs/dbraw/zinc/08/51/17/313085117.db2.gz QHTQUOYRFQIMJX-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC(F)(F)C1 ZINC000529535429 313220174 /nfs/dbraw/zinc/22/01/74/313220174.db2.gz SPSNACVPRKUNRD-ZDUSSCGKSA-N 2 2 305.372 3.455 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(F)cn2)CC1 ZINC000529565053 313228403 /nfs/dbraw/zinc/22/84/03/313228403.db2.gz DACKEARPKVIMLD-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(F)cn2)CC1 ZINC000529565053 313228407 /nfs/dbraw/zinc/22/84/07/313228407.db2.gz DACKEARPKVIMLD-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000529640970 313245522 /nfs/dbraw/zinc/24/55/22/313245522.db2.gz XLUYGPXCUGJMNJ-UHFFFAOYSA-N 2 2 313.449 3.110 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000529640970 313245525 /nfs/dbraw/zinc/24/55/25/313245525.db2.gz XLUYGPXCUGJMNJ-UHFFFAOYSA-N 2 2 313.449 3.110 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1C ZINC000529664557 313250730 /nfs/dbraw/zinc/25/07/30/313250730.db2.gz QXOHEZOTLYLHRO-UHFFFAOYSA-N 2 2 316.489 3.299 20 0 DGADLP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179995 313334608 /nfs/dbraw/zinc/33/46/08/313334608.db2.gz ZKUSPBSHTHYONS-AWEZNQCLSA-N 2 2 314.351 3.002 20 0 DGADLP Clc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc2c1OCO2 ZINC000531188752 313439267 /nfs/dbraw/zinc/43/92/67/313439267.db2.gz OVVYHCMEVUGMEI-UHFFFAOYSA-N 2 2 319.792 3.102 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000531938916 313503193 /nfs/dbraw/zinc/50/31/93/313503193.db2.gz SIEZSVVJIPNTAJ-ZDUSSCGKSA-N 2 2 304.463 3.349 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000540259358 313954284 /nfs/dbraw/zinc/95/42/84/313954284.db2.gz RCAREMNYZMBAEC-LMMKCTJWSA-N 2 2 304.478 3.473 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476058 314078502 /nfs/dbraw/zinc/07/85/02/314078502.db2.gz UDVZOTPGLJICNZ-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476058 314078506 /nfs/dbraw/zinc/07/85/06/314078506.db2.gz UDVZOTPGLJICNZ-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000546645669 314318400 /nfs/dbraw/zinc/31/84/00/314318400.db2.gz AJQNJZREXDNNMH-JTQLQIEISA-N 2 2 318.368 3.489 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000546655649 314318919 /nfs/dbraw/zinc/31/89/19/314318919.db2.gz APVNKNLQDZFZFQ-CWRNSKLLSA-N 2 2 324.428 3.136 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000546655649 314318922 /nfs/dbraw/zinc/31/89/22/314318922.db2.gz APVNKNLQDZFZFQ-CWRNSKLLSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000546654803 314319072 /nfs/dbraw/zinc/31/90/72/314319072.db2.gz OXQLZIQBOFUIIS-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000546654803 314319074 /nfs/dbraw/zinc/31/90/74/314319074.db2.gz OXQLZIQBOFUIIS-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP COC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000557509136 314807344 /nfs/dbraw/zinc/80/73/44/314807344.db2.gz SLBWEVOMAWIPMN-KRWDZBQOSA-N 2 2 310.869 3.493 20 0 DGADLP Cc1cccc(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)c1 ZINC000561945197 314987475 /nfs/dbraw/zinc/98/74/75/314987475.db2.gz MXYDNJVGTXJDIG-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CC(C)[N@H+](C)CC1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000562385323 315015874 /nfs/dbraw/zinc/01/58/74/315015874.db2.gz QVGMRAKTNYGCSC-UHFFFAOYSA-N 2 2 318.440 3.269 20 0 DGADLP CC(C)[N@@H+](C)CC1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000562385323 315015876 /nfs/dbraw/zinc/01/58/76/315015876.db2.gz QVGMRAKTNYGCSC-UHFFFAOYSA-N 2 2 318.440 3.269 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000563061574 315075667 /nfs/dbraw/zinc/07/56/67/315075667.db2.gz MZBISZDXJMPXED-UHFFFAOYSA-N 2 2 314.404 3.367 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000563305991 315101005 /nfs/dbraw/zinc/10/10/05/315101005.db2.gz XNKANNNYCJKIOU-QGZVFWFLSA-N 2 2 319.497 3.136 20 0 DGADLP CCCOc1ccc2c(c1)CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000563350771 315104554 /nfs/dbraw/zinc/10/45/54/315104554.db2.gz QMTXNKOBGHFKFM-UHFFFAOYSA-N 2 2 313.445 3.200 20 0 DGADLP CCCOc1ccc2c(c1)CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000563350771 315104555 /nfs/dbraw/zinc/10/45/55/315104555.db2.gz QMTXNKOBGHFKFM-UHFFFAOYSA-N 2 2 313.445 3.200 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000563349929 315104963 /nfs/dbraw/zinc/10/49/63/315104963.db2.gz JNJYQFNOJPIVCT-LBPRGKRZSA-N 2 2 323.799 3.081 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000563349929 315104966 /nfs/dbraw/zinc/10/49/66/315104966.db2.gz JNJYQFNOJPIVCT-LBPRGKRZSA-N 2 2 323.799 3.081 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000563884960 315144656 /nfs/dbraw/zinc/14/46/56/315144656.db2.gz CARJKCVQNWKJMO-HNNXBMFYSA-N 2 2 322.412 3.257 20 0 DGADLP Fc1cc(F)c2c(c1)OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000563936833 315148377 /nfs/dbraw/zinc/14/83/77/315148377.db2.gz PVXAZECRNKKSIE-HNNXBMFYSA-N 2 2 321.371 3.445 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1OCC(C)C ZINC000564499331 315179360 /nfs/dbraw/zinc/17/93/60/315179360.db2.gz QYUYYKZJVIKNMZ-UHFFFAOYSA-N 2 2 308.466 3.114 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1OCC(C)C ZINC000564499331 315179363 /nfs/dbraw/zinc/17/93/63/315179363.db2.gz QYUYYKZJVIKNMZ-UHFFFAOYSA-N 2 2 308.466 3.114 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000564565800 315183208 /nfs/dbraw/zinc/18/32/08/315183208.db2.gz OSAUPCJIRZTOGV-IBGZPJMESA-N 2 2 310.441 3.426 20 0 DGADLP CCCC[N@H+](C)C[C@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000565083369 315228194 /nfs/dbraw/zinc/22/81/94/315228194.db2.gz QWVWDWDCYVLOAZ-ZDUSSCGKSA-N 2 2 308.857 3.198 20 0 DGADLP CCCC[N@@H+](C)C[C@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000565083369 315228195 /nfs/dbraw/zinc/22/81/95/315228195.db2.gz QWVWDWDCYVLOAZ-ZDUSSCGKSA-N 2 2 308.857 3.198 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000565246531 315247084 /nfs/dbraw/zinc/24/70/84/315247084.db2.gz OQWNDSFEUHHLEP-XLAORIBOSA-N 2 2 324.509 3.064 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CC[C@H](C)C3)c2cc1C ZINC000565359377 315255574 /nfs/dbraw/zinc/25/55/74/315255574.db2.gz VEESTNKMSAHIHU-RRQGHBQHSA-N 2 2 315.461 3.040 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418758 315343402 /nfs/dbraw/zinc/34/34/02/315343402.db2.gz LHJVRASUAUCJNP-YPMHNXCESA-N 2 2 319.276 3.299 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418758 315343403 /nfs/dbraw/zinc/34/34/03/315343403.db2.gz LHJVRASUAUCJNP-YPMHNXCESA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418758 315343405 /nfs/dbraw/zinc/34/34/05/315343405.db2.gz LHJVRASUAUCJNP-YPMHNXCESA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418758 315343406 /nfs/dbraw/zinc/34/34/06/315343406.db2.gz LHJVRASUAUCJNP-YPMHNXCESA-N 2 2 319.276 3.299 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCc2ccc(C)o2)[C@@H]2CCC[NH2+]2)cc1 ZINC000566967820 315387019 /nfs/dbraw/zinc/38/70/19/315387019.db2.gz JYFSTBJZCGWQBX-RBUKOAKNSA-N 2 2 314.429 3.222 20 0 DGADLP Cn1c[nH+]cc1CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000567047985 315392974 /nfs/dbraw/zinc/39/29/74/315392974.db2.gz DXWMZOOLYJBLIP-KRWDZBQOSA-N 2 2 301.459 3.318 20 0 DGADLP Cn1c[nH+]cc1CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000567047985 315392975 /nfs/dbraw/zinc/39/29/75/315392975.db2.gz DXWMZOOLYJBLIP-KRWDZBQOSA-N 2 2 301.459 3.318 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000575359788 316050185 /nfs/dbraw/zinc/05/01/85/316050185.db2.gz IGQKANFBDHNIFO-IEBWSBKVSA-N 2 2 310.445 3.045 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000575359788 316050188 /nfs/dbraw/zinc/05/01/88/316050188.db2.gz IGQKANFBDHNIFO-IEBWSBKVSA-N 2 2 310.445 3.045 20 0 DGADLP C[NH+](C)C1(C[NH2+]CC2Cc3ccccc3C2)Cc2ccccc2C1 ZINC000575375462 316050274 /nfs/dbraw/zinc/05/02/74/316050274.db2.gz VIRIAEHJNRSAPG-UHFFFAOYSA-N 2 2 320.480 3.090 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[NH2+]C2CCCCCC2)c(C)[nH+]1 ZINC000575775784 316060994 /nfs/dbraw/zinc/06/09/94/316060994.db2.gz ZKILCWHALUBQLG-UHFFFAOYSA-N 2 2 318.465 3.441 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000576035102 316087483 /nfs/dbraw/zinc/08/74/83/316087483.db2.gz CVMCWDBSDFNKBU-FQEVSTJZSA-N 2 2 324.424 3.445 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)n1C ZINC000576362124 316122751 /nfs/dbraw/zinc/12/27/51/316122751.db2.gz UQIPYZGYZOXRAS-ZWKOTPCHSA-N 2 2 313.445 3.202 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000576386756 316124418 /nfs/dbraw/zinc/12/44/18/316124418.db2.gz VXCBYNKGLPGHTI-ROUUACIJSA-N 2 2 302.462 3.359 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[C@H](C)n3cc[nH+]c3)cc2)c1C ZINC000576403663 316126858 /nfs/dbraw/zinc/12/68/58/316126858.db2.gz WJGKFONBIGOKQS-ZDUSSCGKSA-N 2 2 323.400 3.275 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000577493635 316241125 /nfs/dbraw/zinc/24/11/25/316241125.db2.gz JGTIUOUXEFZHIY-GFCCVEGCSA-N 2 2 307.438 3.255 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000577493635 316241128 /nfs/dbraw/zinc/24/11/28/316241128.db2.gz JGTIUOUXEFZHIY-GFCCVEGCSA-N 2 2 307.438 3.255 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000577561470 316247593 /nfs/dbraw/zinc/24/75/93/316247593.db2.gz QEODMROMHDVOTE-HNNXBMFYSA-N 2 2 316.367 3.366 20 0 DGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000577672991 316258310 /nfs/dbraw/zinc/25/83/10/316258310.db2.gz DNLZYZLYLZPKHC-AWEZNQCLSA-N 2 2 323.868 3.133 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@@H](C)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000577769459 316270005 /nfs/dbraw/zinc/27/00/05/316270005.db2.gz LXJKGAXVUANNPQ-OOHWJJMZSA-N 2 2 320.481 3.114 20 0 DGADLP COc1ccccc1C[C@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180062848 323220945 /nfs/dbraw/zinc/22/09/45/323220945.db2.gz WTDBZFCYNTXEKY-HNNXBMFYSA-N 2 2 309.413 3.406 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)c1ccc(OC)cc1 ZINC000180697361 323236020 /nfs/dbraw/zinc/23/60/20/323236020.db2.gz AOWQGWFCUBGDOC-NXHRZFHOSA-N 2 2 302.462 3.357 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)c1ccc(OC)cc1 ZINC000180697361 323236022 /nfs/dbraw/zinc/23/60/22/323236022.db2.gz AOWQGWFCUBGDOC-NXHRZFHOSA-N 2 2 302.462 3.357 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)c1ccc(OC)cc1 ZINC000180697361 323236023 /nfs/dbraw/zinc/23/60/23/323236023.db2.gz AOWQGWFCUBGDOC-NXHRZFHOSA-N 2 2 302.462 3.357 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)c1ccc(OC)cc1 ZINC000180697361 323236024 /nfs/dbraw/zinc/23/60/24/323236024.db2.gz AOWQGWFCUBGDOC-NXHRZFHOSA-N 2 2 302.462 3.357 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000181586444 323260424 /nfs/dbraw/zinc/26/04/24/323260424.db2.gz UWUBQDBGWVAJDY-CVEARBPZSA-N 2 2 301.434 3.289 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000181586389 323260472 /nfs/dbraw/zinc/26/04/72/323260472.db2.gz UWUBQDBGWVAJDY-JKSUJKDBSA-N 2 2 301.434 3.289 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)nc1 ZINC000183282994 323332885 /nfs/dbraw/zinc/33/28/85/323332885.db2.gz WTOOOGAGAZDMKZ-GOSISDBHSA-N 2 2 310.376 3.187 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C[NH+]2CCOCC2)c2ccccc2C)c1 ZINC000183873486 323349376 /nfs/dbraw/zinc/34/93/76/323349376.db2.gz DAIXTFJAUAXAKL-GOSISDBHSA-N 2 2 311.429 3.184 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)co2)c1 ZINC000579941912 323937101 /nfs/dbraw/zinc/93/71/01/323937101.db2.gz MAQPATDDFARKMI-RRFJBIMHSA-N 2 2 317.458 3.413 20 0 DGADLP Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)o2)cc1 ZINC000580297055 323981139 /nfs/dbraw/zinc/98/11/39/323981139.db2.gz COYZNZVRHQUVBE-INIZCTEOSA-N 2 2 320.820 3.068 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cncc(Br)c1 ZINC000580844639 324046252 /nfs/dbraw/zinc/04/62/52/324046252.db2.gz OVUDTUGFNUDLFI-LLVKDONJSA-N 2 2 324.266 3.122 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]Cc1ccnc2ccccc12 ZINC000581654860 324141458 /nfs/dbraw/zinc/14/14/58/324141458.db2.gz VXLWAOWWEXJCFM-HXUWFJFHSA-N 2 2 303.409 3.211 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1CCCCC[NH2+]1 ZINC000582244217 324207610 /nfs/dbraw/zinc/20/76/10/324207610.db2.gz PYKPRUDKXWJIRJ-HNNXBMFYSA-N 2 2 312.417 3.301 20 0 DGADLP C[NH+](C)Cc1ccccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000582868418 324285521 /nfs/dbraw/zinc/28/55/21/324285521.db2.gz BKMVTJHGJHYUSC-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000583050824 324306462 /nfs/dbraw/zinc/30/64/62/324306462.db2.gz KPYMUGYHXPOPKK-UHFFFAOYSA-N 3 2 303.494 3.375 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000583050824 324306467 /nfs/dbraw/zinc/30/64/67/324306467.db2.gz KPYMUGYHXPOPKK-UHFFFAOYSA-N 3 2 303.494 3.375 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000583625270 324376736 /nfs/dbraw/zinc/37/67/36/324376736.db2.gz BBBINZWZZHKZIX-UHFFFAOYSA-N 2 2 312.461 3.181 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)n2)cc1 ZINC000584418316 337322689 /nfs/dbraw/zinc/32/26/89/337322689.db2.gz PETJFIPZGFNVDQ-CZUORRHYSA-N 2 2 314.433 3.172 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)n2)cc1 ZINC000584418316 337322690 /nfs/dbraw/zinc/32/26/90/337322690.db2.gz PETJFIPZGFNVDQ-CZUORRHYSA-N 2 2 314.433 3.172 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000453130010 500684044 /nfs/dbraw/zinc/68/40/44/500684044.db2.gz OCSKLJULSWOOHE-YESZJQIVSA-N 2 2 306.498 3.454 20 0 DGADLP COc1cccc([C@@H]([NH2+]CCC[NH3+])c2ccccc2Cl)c1 ZINC000415083214 533720989 /nfs/dbraw/zinc/72/09/89/533720989.db2.gz NDFFJLVFBJOSGI-QGZVFWFLSA-N 2 2 304.821 3.376 20 0 DGADLP C[C@H](CCC1CC1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415125769 533825560 /nfs/dbraw/zinc/82/55/60/533825560.db2.gz FHBRCFVEXVLNCQ-QGZVFWFLSA-N 3 2 315.505 3.148 20 0 DGADLP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c(SC)cc1OC ZINC000415064101 533893658 /nfs/dbraw/zinc/89/36/58/533893658.db2.gz JSGMEXWHBGPCNX-AWEZNQCLSA-N 2 2 324.490 3.033 20 0 DGADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001461613388 1182833937 /nfs/dbraw/zinc/83/39/37/1182833937.db2.gz QCYNXKIIUUBOSE-ZDUSSCGKSA-N 2 2 319.276 3.176 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000430137220 533981575 /nfs/dbraw/zinc/98/15/75/533981575.db2.gz YCDXXZARUJYLCE-HNNXBMFYSA-N 2 2 324.403 3.184 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000430137220 533981581 /nfs/dbraw/zinc/98/15/81/533981581.db2.gz YCDXXZARUJYLCE-HNNXBMFYSA-N 2 2 324.403 3.184 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nc(C(F)(F)F)cs1 ZINC000427877222 533993251 /nfs/dbraw/zinc/99/32/51/533993251.db2.gz ODXUMIIOUAAFFG-DTWKUNHWSA-N 2 2 316.352 3.024 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000415128465 534046104 /nfs/dbraw/zinc/04/61/04/534046104.db2.gz NYOGSPTXNSEHNP-UKRRQHHQSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000415128465 534046111 /nfs/dbraw/zinc/04/61/11/534046111.db2.gz NYOGSPTXNSEHNP-UKRRQHHQSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc2ccc(F)cc2s1)C[NH+]1CCCC1 ZINC000428855430 534065624 /nfs/dbraw/zinc/06/56/24/534065624.db2.gz IVDFWGMKYWIEFQ-LBPRGKRZSA-N 2 2 307.438 3.257 20 0 DGADLP Cc1cc(C)c(NC(=O)N(CCC[NH3+])CC2CCCC2)c(C)[nH+]1 ZINC000415730182 534073401 /nfs/dbraw/zinc/07/34/01/534073401.db2.gz DKDKEERMJICYQE-UHFFFAOYSA-N 2 2 318.465 3.380 20 0 DGADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331799168 534134927 /nfs/dbraw/zinc/13/49/27/534134927.db2.gz LMKWLYVCDWJOLW-NWDGAFQWSA-N 2 2 303.410 3.031 20 0 DGADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331799168 534134933 /nfs/dbraw/zinc/13/49/33/534134933.db2.gz LMKWLYVCDWJOLW-NWDGAFQWSA-N 2 2 303.410 3.031 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720100 534164133 /nfs/dbraw/zinc/16/41/33/534164133.db2.gz DOKTZIPYHDZMJH-MJGOQNOKSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720100 534164138 /nfs/dbraw/zinc/16/41/38/534164138.db2.gz DOKTZIPYHDZMJH-MJGOQNOKSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429720100 534164140 /nfs/dbraw/zinc/16/41/40/534164140.db2.gz DOKTZIPYHDZMJH-MJGOQNOKSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429720100 534164144 /nfs/dbraw/zinc/16/41/44/534164144.db2.gz DOKTZIPYHDZMJH-MJGOQNOKSA-N 2 2 302.462 3.152 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586495 534363795 /nfs/dbraw/zinc/36/37/95/534363795.db2.gz WIHZKQXGKKDNMK-RHSMWYFYSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586495 534363801 /nfs/dbraw/zinc/36/38/01/534363801.db2.gz WIHZKQXGKKDNMK-RHSMWYFYSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000443586495 534363807 /nfs/dbraw/zinc/36/38/07/534363807.db2.gz WIHZKQXGKKDNMK-RHSMWYFYSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000443586495 534363815 /nfs/dbraw/zinc/36/38/15/534363815.db2.gz WIHZKQXGKKDNMK-RHSMWYFYSA-N 2 2 305.491 3.209 20 0 DGADLP CC(C)n1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000162912059 519972714 /nfs/dbraw/zinc/97/27/14/519972714.db2.gz KDAUQCIMATTWFG-OAHLLOKOSA-N 2 2 301.438 3.402 20 0 DGADLP C[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000430934000 534470154 /nfs/dbraw/zinc/47/01/54/534470154.db2.gz KPRDSQSGKIFLTJ-ZWNOBZJWSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000430934000 534470165 /nfs/dbraw/zinc/47/01/65/534470165.db2.gz KPRDSQSGKIFLTJ-ZWNOBZJWSA-N 2 2 303.233 3.041 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccncc2)cc1 ZINC000320005140 534500016 /nfs/dbraw/zinc/50/00/16/534500016.db2.gz ZSLBVJLBSGVVGC-FQEVSTJZSA-N 2 2 307.441 3.387 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427853020 534503127 /nfs/dbraw/zinc/50/31/27/534503127.db2.gz NJYCTMRTRMSQJZ-OCCSQVGLSA-N 2 2 303.406 3.164 20 0 DGADLP [NH3+]C1(C[NH2+]CC2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415134569 534548723 /nfs/dbraw/zinc/54/87/23/534548723.db2.gz OWLSKOBIYQFPAH-UHFFFAOYSA-N 3 2 315.505 3.150 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000434735526 534606847 /nfs/dbraw/zinc/60/68/47/534606847.db2.gz IVKMVMNMZUWFME-PVAVHDDUSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000434735526 534606856 /nfs/dbraw/zinc/60/68/56/534606856.db2.gz IVKMVMNMZUWFME-PVAVHDDUSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1cnc([C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000434735526 534606861 /nfs/dbraw/zinc/60/68/61/534606861.db2.gz IVKMVMNMZUWFME-PVAVHDDUSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1cnc([C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000434735526 534606866 /nfs/dbraw/zinc/60/68/66/534606866.db2.gz IVKMVMNMZUWFME-PVAVHDDUSA-N 2 2 314.433 3.064 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1sccc1Br)C1CCCC1 ZINC000415063153 534677711 /nfs/dbraw/zinc/67/77/11/534677711.db2.gz GWVMMPMGWHVKRD-LLVKDONJSA-N 2 2 303.269 3.118 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(Br)c1)C1CCCC1 ZINC000415043064 534678811 /nfs/dbraw/zinc/67/88/11/534678811.db2.gz ABOUXHUCRHDQEC-LLVKDONJSA-N 2 2 303.269 3.118 20 0 DGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162262910 524270679 /nfs/dbraw/zinc/27/06/79/524270679.db2.gz RVNUEGWDARUUHU-HZPDHXFCSA-N 2 2 301.478 3.460 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000415112216 526332385 /nfs/dbraw/zinc/33/23/85/526332385.db2.gz RNXKCUYVEBMYFG-UHFFFAOYSA-N 2 2 317.408 3.491 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000415061092 526696366 /nfs/dbraw/zinc/69/63/66/526696366.db2.gz XWPMCBDGHXUNQP-AWEZNQCLSA-N 2 2 307.438 3.412 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000415050442 527794978 /nfs/dbraw/zinc/79/49/78/527794978.db2.gz YSLJWVHSMGXXJO-GFCCVEGCSA-N 2 2 304.768 3.172 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435623037 527923133 /nfs/dbraw/zinc/92/31/33/527923133.db2.gz BLGPMPKMEFZCOT-AWEZNQCLSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435623037 527923138 /nfs/dbraw/zinc/92/31/38/527923138.db2.gz BLGPMPKMEFZCOT-AWEZNQCLSA-N 2 2 323.868 3.051 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000430572424 527942969 /nfs/dbraw/zinc/94/29/69/527942969.db2.gz ODRKDAJAQLLMLW-INIZCTEOSA-N 2 2 307.825 3.458 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000430584551 527943323 /nfs/dbraw/zinc/94/33/23/527943323.db2.gz ZOTNYYSMYCKLLV-INIZCTEOSA-N 2 2 307.825 3.458 20 0 DGADLP CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000444775426 527946218 /nfs/dbraw/zinc/94/62/18/527946218.db2.gz MYRUZYQHSCMEJG-IBGZPJMESA-N 2 2 313.445 3.308 20 0 DGADLP CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000444775426 527946224 /nfs/dbraw/zinc/94/62/24/527946224.db2.gz MYRUZYQHSCMEJG-IBGZPJMESA-N 2 2 313.445 3.308 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078008 528265868 /nfs/dbraw/zinc/26/58/68/528265868.db2.gz AINZGAIHWWQDII-CABCVRRESA-N 2 2 316.493 3.358 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078008 528265870 /nfs/dbraw/zinc/26/58/70/528265870.db2.gz AINZGAIHWWQDII-CABCVRRESA-N 2 2 316.493 3.358 20 0 DGADLP CCOc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(Cl)c1OC ZINC000415048869 528281963 /nfs/dbraw/zinc/28/19/63/528281963.db2.gz GIWKJTJPFQMHKB-AWEZNQCLSA-N 2 2 314.857 3.210 20 0 DGADLP CCOc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(Cl)c1OC ZINC000415048870 528284590 /nfs/dbraw/zinc/28/45/90/528284590.db2.gz GIWKJTJPFQMHKB-CQSZACIVSA-N 2 2 314.857 3.210 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420230601 528292382 /nfs/dbraw/zinc/29/23/82/528292382.db2.gz QIIAKWBYJQKRRE-IHRRRGAJSA-N 2 2 302.466 3.071 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415058497 528387727 /nfs/dbraw/zinc/38/77/27/528387727.db2.gz SZIKCSWHWFCURT-KRWDZBQOSA-N 2 2 314.477 3.459 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000423387604 528422100 /nfs/dbraw/zinc/42/21/00/528422100.db2.gz SOLKUDVSWDUODD-NEPJUHHUSA-N 2 2 304.463 3.162 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OCC ZINC000422758189 528597243 /nfs/dbraw/zinc/59/72/43/528597243.db2.gz NQDABKHAYMPLBZ-IJEWVQPXSA-N 2 2 306.450 3.275 20 0 DGADLP CCCCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1OCC ZINC000435370263 528671032 /nfs/dbraw/zinc/67/10/32/528671032.db2.gz HVQJNGDNEIDRAP-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422829650 528688916 /nfs/dbraw/zinc/68/89/16/528688916.db2.gz QDWOHEFSFCRVOV-ZBFHGGJFSA-N 2 2 306.450 3.104 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000428258656 528724938 /nfs/dbraw/zinc/72/49/38/528724938.db2.gz XEJHRCIUHMXYGT-INIZCTEOSA-N 2 2 305.466 3.243 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000428258656 528724942 /nfs/dbraw/zinc/72/49/42/528724942.db2.gz XEJHRCIUHMXYGT-INIZCTEOSA-N 2 2 305.466 3.243 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000317140426 528826924 /nfs/dbraw/zinc/82/69/24/528826924.db2.gz FFWZNFIZZUGSRV-HUUCEWRRSA-N 2 2 300.450 3.019 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000317140426 528826927 /nfs/dbraw/zinc/82/69/27/528826927.db2.gz FFWZNFIZZUGSRV-HUUCEWRRSA-N 2 2 300.450 3.019 20 0 DGADLP CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435622645 528881195 /nfs/dbraw/zinc/88/11/95/528881195.db2.gz FDFZBSJWYGBDQI-KRWDZBQOSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435622645 528881201 /nfs/dbraw/zinc/88/12/01/528881201.db2.gz FDFZBSJWYGBDQI-KRWDZBQOSA-N 2 2 317.408 3.445 20 0 DGADLP CCC([NH3+])(CC)CN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000423293173 528950997 /nfs/dbraw/zinc/95/09/97/528950997.db2.gz QCLBIJBNRRUFHN-OAHLLOKOSA-N 2 2 320.868 3.270 20 0 DGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000432411552 529006699 /nfs/dbraw/zinc/00/66/99/529006699.db2.gz ZDDDDQAHJBFNKU-DLBZAZTESA-N 2 2 305.466 3.013 20 0 DGADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000432411552 529006705 /nfs/dbraw/zinc/00/67/05/529006705.db2.gz ZDDDDQAHJBFNKU-DLBZAZTESA-N 2 2 305.466 3.013 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000430576215 529046498 /nfs/dbraw/zinc/04/64/98/529046498.db2.gz RYNSDPYJJAYWFA-OAHLLOKOSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000430576215 529046500 /nfs/dbraw/zinc/04/65/00/529046500.db2.gz RYNSDPYJJAYWFA-OAHLLOKOSA-N 2 2 305.397 3.286 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000430807163 529087440 /nfs/dbraw/zinc/08/74/40/529087440.db2.gz OXQKBSVYVIMYFY-ZDUSSCGKSA-N 2 2 300.406 3.026 20 0 DGADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000332002880 529102701 /nfs/dbraw/zinc/10/27/01/529102701.db2.gz ZYUFNGNQWYASMJ-LBPRGKRZSA-N 2 2 320.462 3.343 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089962 534947471 /nfs/dbraw/zinc/94/74/71/534947471.db2.gz FPBXDXSDOXNRHD-SMDDNHRTSA-N 2 2 312.379 3.413 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089962 534947477 /nfs/dbraw/zinc/94/74/77/534947477.db2.gz FPBXDXSDOXNRHD-SMDDNHRTSA-N 2 2 312.379 3.413 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000449486193 535146802 /nfs/dbraw/zinc/14/68/02/535146802.db2.gz QWVJAEPGDXUWNV-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000471795835 535216253 /nfs/dbraw/zinc/21/62/53/535216253.db2.gz AVWVHMRHLFXUOP-GOSISDBHSA-N 2 2 304.478 3.182 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000471795835 535216254 /nfs/dbraw/zinc/21/62/54/535216254.db2.gz AVWVHMRHLFXUOP-GOSISDBHSA-N 2 2 304.478 3.182 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459464874 535517068 /nfs/dbraw/zinc/51/70/68/535517068.db2.gz NAKMHVFPJSHPQA-BZZMCLGOSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459464874 535517072 /nfs/dbraw/zinc/51/70/72/535517072.db2.gz NAKMHVFPJSHPQA-BZZMCLGOSA-N 2 2 322.518 3.006 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000494418293 536898348 /nfs/dbraw/zinc/89/83/48/536898348.db2.gz ZDIFTTXSDUEYKG-OAHLLOKOSA-N 2 2 307.397 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672403 545676065 /nfs/dbraw/zinc/67/60/65/545676065.db2.gz SGXKBCKCTVCBAP-AAEUAGOBSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672403 545676070 /nfs/dbraw/zinc/67/60/70/545676070.db2.gz SGXKBCKCTVCBAP-AAEUAGOBSA-N 2 2 302.340 3.330 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040673215 545676942 /nfs/dbraw/zinc/67/69/42/545676942.db2.gz GLFDLUHVYCMSFD-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040673215 545676946 /nfs/dbraw/zinc/67/69/46/545676946.db2.gz GLFDLUHVYCMSFD-DZGCQCFKSA-N 2 2 309.251 3.120 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000088670591 545811854 /nfs/dbraw/zinc/81/18/54/545811854.db2.gz YGENCMXJUXIBIZ-FXAWDEMLSA-N 2 2 315.505 3.286 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000090015175 545823183 /nfs/dbraw/zinc/82/31/83/545823183.db2.gz JMBBNINSOCTNIN-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000090167778 545823222 /nfs/dbraw/zinc/82/32/22/545823222.db2.gz ZYWIPZZVTXVWMS-LJQANCHMSA-N 2 2 309.457 3.267 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000090167778 545823225 /nfs/dbraw/zinc/82/32/25/545823225.db2.gz ZYWIPZZVTXVWMS-LJQANCHMSA-N 2 2 309.457 3.267 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188024 545824146 /nfs/dbraw/zinc/82/41/46/545824146.db2.gz DVMIDBLCGNRBRY-PKOBYXMFSA-N 2 2 318.505 3.428 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188024 545824152 /nfs/dbraw/zinc/82/41/52/545824152.db2.gz DVMIDBLCGNRBRY-PKOBYXMFSA-N 2 2 318.505 3.428 20 0 DGADLP CCC[NH+]1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000130016867 545946490 /nfs/dbraw/zinc/94/64/90/545946490.db2.gz PJVWIYBVMHZMAO-UHFFFAOYSA-N 2 2 302.466 3.358 20 0 DGADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157776928 546043428 /nfs/dbraw/zinc/04/34/28/546043428.db2.gz VUZURMLKSOKTKL-WMZOPIPTSA-N 2 2 302.487 3.091 20 0 DGADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157776928 546043433 /nfs/dbraw/zinc/04/34/33/546043433.db2.gz VUZURMLKSOKTKL-WMZOPIPTSA-N 2 2 302.487 3.091 20 0 DGADLP Cc1csc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000162316640 546077960 /nfs/dbraw/zinc/07/79/60/546077960.db2.gz ZJRHONAZLHNCBT-AWEZNQCLSA-N 2 2 316.474 3.162 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000163747791 546084386 /nfs/dbraw/zinc/08/43/86/546084386.db2.gz BSYZTVWLNGUIRG-OAHLLOKOSA-N 2 2 308.441 3.204 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)c1 ZINC000165967311 546094272 /nfs/dbraw/zinc/09/42/72/546094272.db2.gz VBBOVEPSRCWTHL-KSZLIROESA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)c1 ZINC000165967311 546094277 /nfs/dbraw/zinc/09/42/77/546094277.db2.gz VBBOVEPSRCWTHL-KSZLIROESA-N 2 2 317.477 3.023 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000166107044 546095047 /nfs/dbraw/zinc/09/50/47/546095047.db2.gz RKINOLYTRJWBGI-OTWHNJEPSA-N 3 2 307.526 3.103 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000166107044 546095051 /nfs/dbraw/zinc/09/50/51/546095051.db2.gz RKINOLYTRJWBGI-OTWHNJEPSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167410624 546097951 /nfs/dbraw/zinc/09/79/51/546097951.db2.gz IBERGZXKEZDOOR-YGRLFVJLSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167410624 546097956 /nfs/dbraw/zinc/09/79/56/546097956.db2.gz IBERGZXKEZDOOR-YGRLFVJLSA-N 2 2 304.331 3.404 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000179285940 546134775 /nfs/dbraw/zinc/13/47/75/546134775.db2.gz VCCYTSFCKRXHDF-UHFFFAOYSA-N 2 2 303.369 3.371 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000180150364 546142283 /nfs/dbraw/zinc/14/22/83/546142283.db2.gz DJYQRVAGPGYMPY-HNNXBMFYSA-N 2 2 312.461 3.342 20 0 DGADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000180298928 546143177 /nfs/dbraw/zinc/14/31/77/546143177.db2.gz WQWOAEGPGYYDFI-AWEZNQCLSA-N 2 2 300.450 3.409 20 0 DGADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000180298928 546143180 /nfs/dbraw/zinc/14/31/80/546143180.db2.gz WQWOAEGPGYYDFI-AWEZNQCLSA-N 2 2 300.450 3.409 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533610 546249227 /nfs/dbraw/zinc/24/92/27/546249227.db2.gz LUGVTSFXVRUCGE-UIFIKXQLSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533610 546249230 /nfs/dbraw/zinc/24/92/30/546249230.db2.gz LUGVTSFXVRUCGE-UIFIKXQLSA-N 2 2 324.468 3.015 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000229194951 546271892 /nfs/dbraw/zinc/27/18/92/546271892.db2.gz JWWPHWCRRVJIDH-COXVUDFISA-N 2 2 310.869 3.394 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N2CCCCC2)c1 ZINC000247041662 546308209 /nfs/dbraw/zinc/30/82/09/546308209.db2.gz VBBOVEPSRCWTHL-BZSNNMDCSA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N2CCCCC2)c1 ZINC000247041662 546308212 /nfs/dbraw/zinc/30/82/12/546308212.db2.gz VBBOVEPSRCWTHL-BZSNNMDCSA-N 2 2 317.477 3.023 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnn1-c1ccccc1 ZINC000281646796 546389102 /nfs/dbraw/zinc/38/91/02/546389102.db2.gz PKQHHDYFRZQLDC-MRXNPFEDSA-N 2 2 321.428 3.420 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697930 546408236 /nfs/dbraw/zinc/40/82/36/546408236.db2.gz WZDBUGJEEVAVSA-WBVHZDCISA-N 2 2 312.461 3.361 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697930 546408240 /nfs/dbraw/zinc/40/82/40/546408240.db2.gz WZDBUGJEEVAVSA-WBVHZDCISA-N 2 2 312.461 3.361 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303491096 546439865 /nfs/dbraw/zinc/43/98/65/546439865.db2.gz LEHKXCMVMIIAOA-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303491096 546439868 /nfs/dbraw/zinc/43/98/68/546439868.db2.gz LEHKXCMVMIIAOA-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(-c3ccccc3)c2)CC1 ZINC000305168731 546443192 /nfs/dbraw/zinc/44/31/92/546443192.db2.gz DPSSSIXSYDZFJH-UHFFFAOYSA-N 2 2 324.468 3.242 20 0 DGADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(-c3ccccc3)c2)CC1 ZINC000305168731 546443195 /nfs/dbraw/zinc/44/31/95/546443195.db2.gz DPSSSIXSYDZFJH-UHFFFAOYSA-N 2 2 324.468 3.242 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309898476 546451983 /nfs/dbraw/zinc/45/19/83/546451983.db2.gz OFNNFDBAVLWAAJ-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309898476 546451985 /nfs/dbraw/zinc/45/19/85/546451985.db2.gz OFNNFDBAVLWAAJ-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)co2)c1 ZINC000339067777 546531818 /nfs/dbraw/zinc/53/18/18/546531818.db2.gz CUZATGFSKZGHNL-JSGCOSHPSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)co2)c1 ZINC000339067777 546531824 /nfs/dbraw/zinc/53/18/24/546531824.db2.gz CUZATGFSKZGHNL-JSGCOSHPSA-N 2 2 303.431 3.120 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000339384772 546539724 /nfs/dbraw/zinc/53/97/24/546539724.db2.gz KHOMMIGNZJCMNO-SBSDFTTDSA-N 2 2 323.400 3.472 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)ccn1 ZINC000347569344 546584673 /nfs/dbraw/zinc/58/46/73/546584673.db2.gz WGHKTKUVSNDVBU-OAHLLOKOSA-N 2 2 322.412 3.435 20 0 DGADLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000352452088 546652027 /nfs/dbraw/zinc/65/20/27/546652027.db2.gz AYJSTJGYSPUPFB-UHFFFAOYSA-N 2 2 303.312 3.248 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389404741 546752142 /nfs/dbraw/zinc/75/21/42/546752142.db2.gz QLZLHIYBUJQROJ-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389404741 546752145 /nfs/dbraw/zinc/75/21/45/546752145.db2.gz QLZLHIYBUJQROJ-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389850207 546753266 /nfs/dbraw/zinc/75/32/66/546753266.db2.gz USMPIVCXQNNGOX-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389850207 546753271 /nfs/dbraw/zinc/75/32/71/546753271.db2.gz USMPIVCXQNNGOX-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052135 546765496 /nfs/dbraw/zinc/76/54/96/546765496.db2.gz WYZGRGIHTGFVDI-UYAOXDASSA-N 2 2 323.484 3.494 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052135 546765500 /nfs/dbraw/zinc/76/55/00/546765500.db2.gz WYZGRGIHTGFVDI-UYAOXDASSA-N 2 2 323.484 3.494 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@H]1c1ccccc1 ZINC000414193004 546781261 /nfs/dbraw/zinc/78/12/61/546781261.db2.gz UFKWFCWJCIUIMV-ICSRJNTNSA-N 3 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@H]1c1ccccc1 ZINC000414193004 546781266 /nfs/dbraw/zinc/78/12/66/546781266.db2.gz UFKWFCWJCIUIMV-ICSRJNTNSA-N 3 2 320.440 3.259 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000414379513 546786345 /nfs/dbraw/zinc/78/63/45/546786345.db2.gz GYUDPKBWKQIMKV-KRWDZBQOSA-N 2 2 316.493 3.127 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000414379513 546786353 /nfs/dbraw/zinc/78/63/53/546786353.db2.gz GYUDPKBWKQIMKV-KRWDZBQOSA-N 2 2 316.493 3.127 20 0 DGADLP COC[C@]1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CCC[NH2+]1 ZINC000414946778 546791384 /nfs/dbraw/zinc/79/13/84/546791384.db2.gz SWMYAGVWUNYTJK-HXUWFJFHSA-N 2 2 310.441 3.212 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)c2cccc(Cl)c2F)n1C ZINC000419692358 546803982 /nfs/dbraw/zinc/80/39/82/546803982.db2.gz YBTFQLSCWGYIDY-UHFFFAOYSA-N 2 2 324.831 3.304 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1scnc1C1CC1 ZINC000486969531 546915242 /nfs/dbraw/zinc/91/52/42/546915242.db2.gz POUBPBPJFXMOQU-UHFFFAOYSA-N 2 2 312.442 3.468 20 0 DGADLP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667486920 547198543 /nfs/dbraw/zinc/19/85/43/547198543.db2.gz HZBHIRVVDDSKPN-KRWDZBQOSA-N 2 2 315.417 3.083 20 0 DGADLP COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667486920 547198548 /nfs/dbraw/zinc/19/85/48/547198548.db2.gz HZBHIRVVDDSKPN-KRWDZBQOSA-N 2 2 315.417 3.083 20 0 DGADLP c1[nH]c2ncccc2c1C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667532174 547213223 /nfs/dbraw/zinc/21/32/23/547213223.db2.gz DAYQARZJJHHHEO-UHFFFAOYSA-N 2 2 321.428 3.085 20 0 DGADLP Fc1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cccc1OC1CC1 ZINC000667564001 547227612 /nfs/dbraw/zinc/22/76/12/547227612.db2.gz YDJYZAKWQUHCAI-UHFFFAOYSA-N 2 2 315.392 3.401 20 0 DGADLP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658782 547262364 /nfs/dbraw/zinc/26/23/64/547262364.db2.gz PZMKCZBMJHKZHE-QGZVFWFLSA-N 2 2 316.493 3.138 20 0 DGADLP Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658782 547262371 /nfs/dbraw/zinc/26/23/71/547262371.db2.gz PZMKCZBMJHKZHE-QGZVFWFLSA-N 2 2 316.493 3.138 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664243 547264218 /nfs/dbraw/zinc/26/42/18/547264218.db2.gz GOFKVKHHPYBWGA-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664243 547264225 /nfs/dbraw/zinc/26/42/25/547264225.db2.gz GOFKVKHHPYBWGA-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664243 547264232 /nfs/dbraw/zinc/26/42/32/547264232.db2.gz GOFKVKHHPYBWGA-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)C[C@@H]1C ZINC000667664243 547264234 /nfs/dbraw/zinc/26/42/34/547264234.db2.gz GOFKVKHHPYBWGA-WCQYABFASA-N 2 2 300.368 3.409 20 0 DGADLP COc1ccc(C[C@H](C)C[N@H+](C)Cc2c[nH+]c(C)n2C)cc1 ZINC000667682195 547273276 /nfs/dbraw/zinc/27/32/76/547273276.db2.gz CVXCPJLAMDMPTG-AWEZNQCLSA-N 2 2 301.434 3.048 20 0 DGADLP COc1ccc(C[C@H](C)C[N@@H+](C)Cc2c[nH+]c(C)n2C)cc1 ZINC000667682195 547273281 /nfs/dbraw/zinc/27/32/81/547273281.db2.gz CVXCPJLAMDMPTG-AWEZNQCLSA-N 2 2 301.434 3.048 20 0 DGADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667697319 547279410 /nfs/dbraw/zinc/27/94/10/547279410.db2.gz XROXVLTVAMXMPT-MRXNPFEDSA-N 2 2 310.445 3.060 20 0 DGADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667697319 547279413 /nfs/dbraw/zinc/27/94/13/547279413.db2.gz XROXVLTVAMXMPT-MRXNPFEDSA-N 2 2 310.445 3.060 20 0 DGADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092056 547381017 /nfs/dbraw/zinc/38/10/17/547381017.db2.gz XHMFNWZWZYGQCW-BXUZGUMPSA-N 2 2 310.323 3.040 20 0 DGADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668092056 547381022 /nfs/dbraw/zinc/38/10/22/547381022.db2.gz XHMFNWZWZYGQCW-BXUZGUMPSA-N 2 2 310.323 3.040 20 0 DGADLP COCc1csc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000668150747 547395918 /nfs/dbraw/zinc/39/59/18/547395918.db2.gz GJUWHBBEMAHSCU-UHFFFAOYSA-N 2 2 322.474 3.441 20 0 DGADLP COCc1csc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000668150747 547395924 /nfs/dbraw/zinc/39/59/24/547395924.db2.gz GJUWHBBEMAHSCU-UHFFFAOYSA-N 2 2 322.474 3.441 20 0 DGADLP COCc1csc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000668150747 547395926 /nfs/dbraw/zinc/39/59/26/547395926.db2.gz GJUWHBBEMAHSCU-UHFFFAOYSA-N 2 2 322.474 3.441 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(F)c1OC(F)F ZINC000668165751 547399785 /nfs/dbraw/zinc/39/97/85/547399785.db2.gz DZXIFLFKJMEJMA-UHFFFAOYSA-N 2 2 304.356 3.201 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(F)c1OC(F)F ZINC000668165751 547399791 /nfs/dbraw/zinc/39/97/91/547399791.db2.gz DZXIFLFKJMEJMA-UHFFFAOYSA-N 2 2 304.356 3.201 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172242 547403105 /nfs/dbraw/zinc/40/31/05/547403105.db2.gz ILNJUSZGNZZFPV-CJNGLKHVSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172242 547403107 /nfs/dbraw/zinc/40/31/07/547403107.db2.gz ILNJUSZGNZZFPV-CJNGLKHVSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172242 547403109 /nfs/dbraw/zinc/40/31/09/547403109.db2.gz ILNJUSZGNZZFPV-CJNGLKHVSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172242 547403110 /nfs/dbraw/zinc/40/31/10/547403110.db2.gz ILNJUSZGNZZFPV-CJNGLKHVSA-N 2 2 306.425 3.139 20 0 DGADLP Cc1[nH+]cc(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1C ZINC000668225150 547421520 /nfs/dbraw/zinc/42/15/20/547421520.db2.gz FZFZNLMVEDBBCO-UHFFFAOYSA-N 2 2 306.498 3.061 20 0 DGADLP FC(F)(F)C[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668244145 547427931 /nfs/dbraw/zinc/42/79/31/547427931.db2.gz RKOCSBMOESKUTL-ZDUSSCGKSA-N 2 2 324.350 3.432 20 0 DGADLP FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668244145 547427932 /nfs/dbraw/zinc/42/79/32/547427932.db2.gz RKOCSBMOESKUTL-ZDUSSCGKSA-N 2 2 324.350 3.432 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2cccc(F)c2)n1C ZINC000668271733 547433265 /nfs/dbraw/zinc/43/32/65/547433265.db2.gz MXGLFVBPODPJEH-GOSISDBHSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2cccc(F)c2)n1C ZINC000668271733 547433268 /nfs/dbraw/zinc/43/32/68/547433268.db2.gz MXGLFVBPODPJEH-GOSISDBHSA-N 2 2 301.409 3.465 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]31)CCC2 ZINC000668293259 547437374 /nfs/dbraw/zinc/43/73/74/547437374.db2.gz XGVLJHOIEZMDGS-FHWLQOOXSA-N 2 2 323.440 3.324 20 0 DGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]31)CCC2 ZINC000668293259 547437376 /nfs/dbraw/zinc/43/73/76/547437376.db2.gz XGVLJHOIEZMDGS-FHWLQOOXSA-N 2 2 323.440 3.324 20 0 DGADLP COCC1(C2CCC2)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000668514611 547470998 /nfs/dbraw/zinc/47/09/98/547470998.db2.gz LULITZKJGIIPNR-UHFFFAOYSA-N 2 2 317.458 3.182 20 0 DGADLP c1[nH+]c2n(c1C[NH+]1CCC3(CCc4ccccc4O3)CC1)CCC2 ZINC000668715101 547518785 /nfs/dbraw/zinc/51/87/85/547518785.db2.gz JZWCTTLVRBQDQO-UHFFFAOYSA-N 2 2 323.440 3.189 20 0 DGADLP CCc1cccc(Cl)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785766 547541285 /nfs/dbraw/zinc/54/12/85/547541285.db2.gz WYJPCCDMHVBDKV-MRXNPFEDSA-N 2 2 324.896 3.445 20 0 DGADLP CCc1cccc(Cl)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785766 547541289 /nfs/dbraw/zinc/54/12/89/547541289.db2.gz WYJPCCDMHVBDKV-MRXNPFEDSA-N 2 2 324.896 3.445 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CCO1 ZINC000668785872 547541599 /nfs/dbraw/zinc/54/15/99/547541599.db2.gz ZZPQVZNFPSWSCC-MAVJXHJTSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CCO1 ZINC000668785872 547541602 /nfs/dbraw/zinc/54/16/02/547541602.db2.gz ZZPQVZNFPSWSCC-MAVJXHJTSA-N 2 2 324.415 3.021 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000669615659 547662196 /nfs/dbraw/zinc/66/21/96/547662196.db2.gz AGUPJUJYCAJYIX-BVGQSLNGSA-N 2 2 300.446 3.145 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000669615659 547662199 /nfs/dbraw/zinc/66/21/99/547662199.db2.gz AGUPJUJYCAJYIX-BVGQSLNGSA-N 2 2 300.446 3.145 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000669927527 547707543 /nfs/dbraw/zinc/70/75/43/547707543.db2.gz GUHSGSLGZAQVRW-AWEZNQCLSA-N 2 2 322.522 3.496 20 0 DGADLP FC(F)(F)CC[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000671438953 547789103 /nfs/dbraw/zinc/78/91/03/547789103.db2.gz JBCPTSWWGAZZTO-UHFFFAOYSA-N 2 2 301.356 3.351 20 0 DGADLP FC1(F)Oc2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2O1 ZINC000671680604 547808188 /nfs/dbraw/zinc/80/81/88/547808188.db2.gz RRMKJULSAAAKOG-ZDUSSCGKSA-N 2 2 321.327 3.042 20 0 DGADLP FC1(F)Oc2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2O1 ZINC000671680604 547808192 /nfs/dbraw/zinc/80/81/92/547808192.db2.gz RRMKJULSAAAKOG-ZDUSSCGKSA-N 2 2 321.327 3.042 20 0 DGADLP CN(C)c1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000671739710 547822210 /nfs/dbraw/zinc/82/22/10/547822210.db2.gz AZLPXMZBKYIKRG-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP CN(C)c1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000671739710 547822214 /nfs/dbraw/zinc/82/22/14/547822214.db2.gz AZLPXMZBKYIKRG-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP CN(C)c1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000671739710 547822216 /nfs/dbraw/zinc/82/22/16/547822216.db2.gz AZLPXMZBKYIKRG-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP CN(C)c1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000671739710 547822219 /nfs/dbraw/zinc/82/22/19/547822219.db2.gz AZLPXMZBKYIKRG-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H]2CCC[C@H]21 ZINC000671752958 547827433 /nfs/dbraw/zinc/82/74/33/547827433.db2.gz HKEHPJRHYOOABB-QCZZGDTMSA-N 2 2 316.342 3.205 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H]2CCC[C@H]21 ZINC000671752958 547827435 /nfs/dbraw/zinc/82/74/35/547827435.db2.gz HKEHPJRHYOOABB-QCZZGDTMSA-N 2 2 316.342 3.205 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048114 548026983 /nfs/dbraw/zinc/02/69/83/548026983.db2.gz ZYWHIUHNAINXFU-DUXKGJEZSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048114 548026988 /nfs/dbraw/zinc/02/69/88/548026988.db2.gz ZYWHIUHNAINXFU-DUXKGJEZSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048114 548026993 /nfs/dbraw/zinc/02/69/93/548026993.db2.gz ZYWHIUHNAINXFU-DUXKGJEZSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048114 548026998 /nfs/dbraw/zinc/02/69/98/548026998.db2.gz ZYWHIUHNAINXFU-DUXKGJEZSA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880406 548129072 /nfs/dbraw/zinc/12/90/72/548129072.db2.gz GYLPQEOFYUAKRJ-PKOBYXMFSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880406 548129078 /nfs/dbraw/zinc/12/90/78/548129078.db2.gz GYLPQEOFYUAKRJ-PKOBYXMFSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCSCC1 ZINC000674881678 548129337 /nfs/dbraw/zinc/12/93/37/548129337.db2.gz CHCJZHPYKDTAGG-MAUKXSAKSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCSCC1 ZINC000674881678 548129340 /nfs/dbraw/zinc/12/93/40/548129340.db2.gz CHCJZHPYKDTAGG-MAUKXSAKSA-N 2 2 304.503 3.240 20 0 DGADLP c1[nH+]c2ccccn2c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000675327012 548194156 /nfs/dbraw/zinc/19/41/56/548194156.db2.gz SJPTZRIUUHXDLC-UHFFFAOYSA-N 2 2 319.408 3.356 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675498313 548226013 /nfs/dbraw/zinc/22/60/13/548226013.db2.gz PQIPDWVHWTZVKN-CYBMUJFWSA-N 2 2 303.356 3.243 20 0 DGADLP Clc1cccc2c1OC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000675754233 548265793 /nfs/dbraw/zinc/26/57/93/548265793.db2.gz PYRSKNOTUPGWGZ-MRXNPFEDSA-N 2 2 306.837 3.238 20 0 DGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000675762264 548266203 /nfs/dbraw/zinc/26/62/03/548266203.db2.gz NWBVMOXKBGDONO-WOJBJXKFSA-N 2 2 323.484 3.028 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000675895141 548287397 /nfs/dbraw/zinc/28/73/97/548287397.db2.gz ORXYRQUGARDVGG-CYBMUJFWSA-N 2 2 314.433 3.002 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675919923 548291852 /nfs/dbraw/zinc/29/18/52/548291852.db2.gz PRBTWYVYHGLEGS-YJBOKZPZSA-N 2 2 313.445 3.109 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920318 548292012 /nfs/dbraw/zinc/29/20/12/548292012.db2.gz KDMFYORNZNLHHH-KBXCAEBGSA-N 2 2 323.444 3.097 20 0 DGADLP Cc1cccn2cc(CC[NH2+]C3CC[NH+](C(C)(C)C)CC3)[nH+]c12 ZINC000675925515 548294053 /nfs/dbraw/zinc/29/40/53/548294053.db2.gz XPWXTTFCYUIPLK-UHFFFAOYSA-N 3 2 314.477 3.038 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000676112862 548322729 /nfs/dbraw/zinc/32/27/29/548322729.db2.gz SFDANDLFPGXGMW-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000676112862 548322731 /nfs/dbraw/zinc/32/27/31/548322731.db2.gz SFDANDLFPGXGMW-VQIMIIECSA-N 2 2 304.478 3.302 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC000676365705 548353067 /nfs/dbraw/zinc/35/30/67/548353067.db2.gz ARGZQKGODLGYFT-UHFFFAOYSA-N 2 2 324.472 3.400 20 0 DGADLP COc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000676415438 548360919 /nfs/dbraw/zinc/36/09/19/548360919.db2.gz AMQUHSHHTYDLFK-MRXNPFEDSA-N 2 2 323.396 3.265 20 0 DGADLP Fc1ccccc1SCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477615 548367743 /nfs/dbraw/zinc/36/77/43/548367743.db2.gz JQCKMUVKLMSLRX-AWEZNQCLSA-N 2 2 305.422 3.451 20 0 DGADLP Fc1ccccc1SCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477615 548367749 /nfs/dbraw/zinc/36/77/49/548367749.db2.gz JQCKMUVKLMSLRX-AWEZNQCLSA-N 2 2 305.422 3.451 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000676488098 548368202 /nfs/dbraw/zinc/36/82/02/548368202.db2.gz BHALTTATJVFFNV-LLVKDONJSA-N 2 2 304.463 3.186 20 0 DGADLP Cc1cccn2cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)[nH+]c12 ZINC000676712484 548398872 /nfs/dbraw/zinc/39/88/72/548398872.db2.gz INOOQIIPEMQFJI-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)[nH+]c12 ZINC000676712484 548398877 /nfs/dbraw/zinc/39/88/77/548398877.db2.gz INOOQIIPEMQFJI-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712484 548398881 /nfs/dbraw/zinc/39/88/81/548398881.db2.gz INOOQIIPEMQFJI-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712484 548398886 /nfs/dbraw/zinc/39/88/86/548398886.db2.gz INOOQIIPEMQFJI-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc12 ZINC000676712484 548398891 /nfs/dbraw/zinc/39/88/91/548398891.db2.gz INOOQIIPEMQFJI-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc12 ZINC000676712484 548398895 /nfs/dbraw/zinc/39/88/95/548398895.db2.gz INOOQIIPEMQFJI-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP CC[N@@H+](Cc1nccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000676715738 548401142 /nfs/dbraw/zinc/40/11/42/548401142.db2.gz IAIMHRBMAXBQGE-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[N@H+](Cc1nccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000676715738 548401145 /nfs/dbraw/zinc/40/11/45/548401145.db2.gz IAIMHRBMAXBQGE-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1nccs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000676715738 548401147 /nfs/dbraw/zinc/40/11/47/548401147.db2.gz IAIMHRBMAXBQGE-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1nccs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000676715738 548401149 /nfs/dbraw/zinc/40/11/49/548401149.db2.gz IAIMHRBMAXBQGE-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748999 548549354 /nfs/dbraw/zinc/54/93/54/548549354.db2.gz GABBYANIOYFXOC-QRFRQXIXSA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748999 548549356 /nfs/dbraw/zinc/54/93/56/548549356.db2.gz GABBYANIOYFXOC-QRFRQXIXSA-N 2 2 318.505 3.426 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749632 548550952 /nfs/dbraw/zinc/55/09/52/548550952.db2.gz PBDBWAIRIASYDA-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000677749632 548550956 /nfs/dbraw/zinc/55/09/56/548550956.db2.gz PBDBWAIRIASYDA-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804337 548557892 /nfs/dbraw/zinc/55/78/92/548557892.db2.gz FJTINVAFUQXOMA-CGTJXYLNSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804337 548557898 /nfs/dbraw/zinc/55/78/98/548557898.db2.gz FJTINVAFUQXOMA-CGTJXYLNSA-N 2 2 304.478 3.036 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000677807550 548558741 /nfs/dbraw/zinc/55/87/41/548558741.db2.gz SOUGSQCOLIMKSE-INIZCTEOSA-N 2 2 306.413 3.274 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000677807550 548558748 /nfs/dbraw/zinc/55/87/48/548558748.db2.gz SOUGSQCOLIMKSE-INIZCTEOSA-N 2 2 306.413 3.274 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235885 548648528 /nfs/dbraw/zinc/64/85/28/548648528.db2.gz ZFFFKIDIWJQHGO-QGZVFWFLSA-N 2 2 322.412 3.277 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235885 548648532 /nfs/dbraw/zinc/64/85/32/548648532.db2.gz ZFFFKIDIWJQHGO-QGZVFWFLSA-N 2 2 322.412 3.277 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234794 548649166 /nfs/dbraw/zinc/64/91/66/548649166.db2.gz LCSHVMCZYZLRCS-SFHVURJKSA-N 2 2 321.428 3.419 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234794 548649168 /nfs/dbraw/zinc/64/91/68/548649168.db2.gz LCSHVMCZYZLRCS-SFHVURJKSA-N 2 2 321.428 3.419 20 0 DGADLP CCn1c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235415 548649381 /nfs/dbraw/zinc/64/93/81/548649381.db2.gz JLODEFUMYDXNAB-OAHLLOKOSA-N 2 2 309.417 3.090 20 0 DGADLP CCn1c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000678235415 548649382 /nfs/dbraw/zinc/64/93/82/548649382.db2.gz JLODEFUMYDXNAB-OAHLLOKOSA-N 2 2 309.417 3.090 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000678497767 548717001 /nfs/dbraw/zinc/71/70/01/548717001.db2.gz KUCLLXUYZBLZRN-VHBXLISGSA-N 2 2 316.489 3.495 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000678497767 548717007 /nfs/dbraw/zinc/71/70/07/548717007.db2.gz KUCLLXUYZBLZRN-VHBXLISGSA-N 2 2 316.489 3.495 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994019 548808567 /nfs/dbraw/zinc/80/85/67/548808567.db2.gz ZTLPGFYAIJOTLU-HIFRSBDPSA-N 2 2 307.507 3.184 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994019 548808572 /nfs/dbraw/zinc/80/85/72/548808572.db2.gz ZTLPGFYAIJOTLU-HIFRSBDPSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994019 548808575 /nfs/dbraw/zinc/80/85/75/548808575.db2.gz ZTLPGFYAIJOTLU-HIFRSBDPSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994019 548808580 /nfs/dbraw/zinc/80/85/80/548808580.db2.gz ZTLPGFYAIJOTLU-HIFRSBDPSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992995 548808775 /nfs/dbraw/zinc/80/87/75/548808775.db2.gz RYSSVQXXJUKZKY-AWEZNQCLSA-N 2 2 307.507 3.186 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992995 548808777 /nfs/dbraw/zinc/80/87/77/548808777.db2.gz RYSSVQXXJUKZKY-AWEZNQCLSA-N 2 2 307.507 3.186 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000678992606 548808959 /nfs/dbraw/zinc/80/89/59/548808959.db2.gz MJJGELPDNLFPLA-ZFWWWQNUSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000678992606 548808961 /nfs/dbraw/zinc/80/89/61/548808961.db2.gz MJJGELPDNLFPLA-ZFWWWQNUSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCCO1 ZINC000679114802 548831998 /nfs/dbraw/zinc/83/19/98/548831998.db2.gz OUUBGODWVGTAOK-SUMWQHHRSA-N 2 2 303.381 3.059 20 0 DGADLP Clc1cnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000679129629 548835201 /nfs/dbraw/zinc/83/52/01/548835201.db2.gz XRPBDVSPVKLRTK-LBPRGKRZSA-N 2 2 311.216 3.422 20 0 DGADLP Clc1cnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000679129629 548835200 /nfs/dbraw/zinc/83/52/00/548835200.db2.gz XRPBDVSPVKLRTK-LBPRGKRZSA-N 2 2 311.216 3.422 20 0 DGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679217250 548848153 /nfs/dbraw/zinc/84/81/53/548848153.db2.gz WUEZILNJIADIOC-CQSZACIVSA-N 2 2 308.385 3.106 20 0 DGADLP c1ccc2sc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000679440078 548897924 /nfs/dbraw/zinc/89/79/24/548897924.db2.gz ORQTUPVWRCDEQW-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP COc1ccc2c(c1)CC[C@H]([NH2+]Cc1c[nH+]c3c(C)cccn13)C2 ZINC000680140312 549003226 /nfs/dbraw/zinc/00/32/26/549003226.db2.gz WLWLHNJDQAPACN-KRWDZBQOSA-N 2 2 321.424 3.298 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1nc(C(F)(F)F)cs1 ZINC000681054173 549153627 /nfs/dbraw/zinc/15/36/27/549153627.db2.gz MDHSAQJNOAEZJP-DTWKUNHWSA-N 2 2 316.352 3.024 20 0 DGADLP Cc1ncc([C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439599 549323960 /nfs/dbraw/zinc/32/39/60/549323960.db2.gz VMELRRQBFHMWON-WBVHZDCISA-N 2 2 302.466 3.105 20 0 DGADLP Cc1ncc([C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439599 549323962 /nfs/dbraw/zinc/32/39/62/549323962.db2.gz VMELRRQBFHMWON-WBVHZDCISA-N 2 2 302.466 3.105 20 0 DGADLP CC(C)(C[NH2+]Cc1nc2c(s1)CCCC2)C[NH+]1CCCC1 ZINC000682953554 549403811 /nfs/dbraw/zinc/40/38/11/549403811.db2.gz LAEJBKDMYSHKJE-UHFFFAOYSA-N 2 2 307.507 3.234 20 0 DGADLP Cc1[nH+]ccc(NCc2[nH+]ccn2Cc2ccccc2)c1Cl ZINC000683071459 549425678 /nfs/dbraw/zinc/42/56/78/549425678.db2.gz WVNAKKOYXGLKDM-UHFFFAOYSA-N 2 2 312.804 3.322 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC000683691759 549519581 /nfs/dbraw/zinc/51/95/81/549519581.db2.gz KHGBLEFMWXZBEW-FNLKRUPLSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC000683691759 549519586 /nfs/dbraw/zinc/51/95/86/549519586.db2.gz KHGBLEFMWXZBEW-FNLKRUPLSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1nc(C)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000683898874 549553565 /nfs/dbraw/zinc/55/35/65/549553565.db2.gz UJECIZBJIKLNKB-UHFFFAOYSA-N 2 2 313.445 3.388 20 0 DGADLP Cc1nc(C)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000683898874 549553568 /nfs/dbraw/zinc/55/35/68/549553568.db2.gz UJECIZBJIKLNKB-UHFFFAOYSA-N 2 2 313.445 3.388 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000684143355 549584526 /nfs/dbraw/zinc/58/45/26/549584526.db2.gz VBEFKEKXGSPYRG-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000684143355 549584529 /nfs/dbraw/zinc/58/45/29/549584529.db2.gz VBEFKEKXGSPYRG-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP COc1ccc2c(c1)OCC[C@H]2[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684382029 549624014 /nfs/dbraw/zinc/62/40/14/549624014.db2.gz MHOOYFTXBHDWAJ-GOSISDBHSA-N 2 2 312.413 3.445 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684954894 549724682 /nfs/dbraw/zinc/72/46/82/549724682.db2.gz DWMQYOWBPQUVGX-QYZOEREBSA-N 2 2 313.489 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684954894 549724686 /nfs/dbraw/zinc/72/46/86/549724686.db2.gz DWMQYOWBPQUVGX-QYZOEREBSA-N 2 2 313.489 3.490 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCc3cccnc32)c[nH+]1 ZINC000684955727 549725013 /nfs/dbraw/zinc/72/50/13/549725013.db2.gz LRDCZHAYEQEBRI-KRWDZBQOSA-N 2 2 304.397 3.435 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCc4cccnc43)[nH+]c12 ZINC000684957019 549725966 /nfs/dbraw/zinc/72/59/66/549725966.db2.gz FVNZLMIMSIURCU-QGZVFWFLSA-N 2 2 306.413 3.247 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000684968358 549728239 /nfs/dbraw/zinc/72/82/39/549728239.db2.gz XAROXQIRZJNBGL-UHFFFAOYSA-N 2 2 309.457 3.490 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421713 549757149 /nfs/dbraw/zinc/75/71/49/549757149.db2.gz PGCFWRJXINADNT-WFASDCNBSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421713 549757151 /nfs/dbraw/zinc/75/71/51/549757151.db2.gz PGCFWRJXINADNT-WFASDCNBSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@@H]2C)C[N@H+](Cc2ccccc2)C1 ZINC000685443850 549761301 /nfs/dbraw/zinc/76/13/01/549761301.db2.gz DSXLJXWWWXJLPL-BWPNAZKDSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@@H]2C)C[N@@H+](Cc2ccccc2)C1 ZINC000685443850 549761303 /nfs/dbraw/zinc/76/13/03/549761303.db2.gz DSXLJXWWWXJLPL-BWPNAZKDSA-N 2 2 316.489 3.159 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685463070 549765051 /nfs/dbraw/zinc/76/50/51/549765051.db2.gz PRZPVDJZMCPAIA-PYLYLYNFSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685463070 549765055 /nfs/dbraw/zinc/76/50/55/549765055.db2.gz PRZPVDJZMCPAIA-PYLYLYNFSA-N 2 2 303.356 3.201 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000685472497 549767186 /nfs/dbraw/zinc/76/71/86/549767186.db2.gz RCEZDSHGTOMBEV-INIZCTEOSA-N 2 2 318.848 3.342 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)no1 ZINC000685648451 549784895 /nfs/dbraw/zinc/78/48/95/549784895.db2.gz KZTRMOCPULYFDQ-RHSMWYFYSA-N 2 2 310.401 3.351 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)cc[nH+]1 ZINC000685914504 549807010 /nfs/dbraw/zinc/80/70/10/549807010.db2.gz ZLOAOELNGMVPRY-GJZGRUSLSA-N 2 2 318.396 3.019 20 0 DGADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)cc[nH+]1 ZINC000685914504 549807013 /nfs/dbraw/zinc/80/70/13/549807013.db2.gz ZLOAOELNGMVPRY-GJZGRUSLSA-N 2 2 318.396 3.019 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000732264467 574569251 /nfs/dbraw/zinc/56/92/51/574569251.db2.gz SHRNMFKHZJIPOE-UHFFFAOYSA-N 2 2 302.422 3.322 20 0 DGADLP S=c1oc2ccccc2n1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738147976 574859856 /nfs/dbraw/zinc/85/98/56/574859856.db2.gz HSLXQVKAAYZGSO-ZDUSSCGKSA-N 2 2 314.414 3.455 20 0 DGADLP S=c1oc2ccccc2n1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738147976 574859859 /nfs/dbraw/zinc/85/98/59/574859859.db2.gz HSLXQVKAAYZGSO-ZDUSSCGKSA-N 2 2 314.414 3.455 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000743266142 575041168 /nfs/dbraw/zinc/04/11/68/575041168.db2.gz IHIADESCYOVWBW-FQEVSTJZSA-N 2 2 323.440 3.285 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000743871906 575067775 /nfs/dbraw/zinc/06/77/75/575067775.db2.gz BCPKPBIMYVCGCU-RYRKJORJSA-N 2 2 320.477 3.072 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000743871906 575067777 /nfs/dbraw/zinc/06/77/77/575067777.db2.gz BCPKPBIMYVCGCU-RYRKJORJSA-N 2 2 320.477 3.072 20 0 DGADLP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453320 575453310 /nfs/dbraw/zinc/45/33/10/575453310.db2.gz GZUWLBJMHPXHDV-JKSUJKDBSA-N 2 2 320.481 3.064 20 0 DGADLP CCCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453320 575453311 /nfs/dbraw/zinc/45/33/11/575453311.db2.gz GZUWLBJMHPXHDV-JKSUJKDBSA-N 2 2 320.481 3.064 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670235 575468693 /nfs/dbraw/zinc/46/86/93/575468693.db2.gz YCMOTQUUOFQCGQ-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670235 575468695 /nfs/dbraw/zinc/46/86/95/575468695.db2.gz YCMOTQUUOFQCGQ-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670235 575468697 /nfs/dbraw/zinc/46/86/97/575468697.db2.gz YCMOTQUUOFQCGQ-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670235 575468699 /nfs/dbraw/zinc/46/86/99/575468699.db2.gz YCMOTQUUOFQCGQ-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)s1 ZINC000750824911 575754027 /nfs/dbraw/zinc/75/40/27/575754027.db2.gz DDEYLBONOQLDIQ-WBMJQRKESA-N 2 2 323.506 3.054 20 0 DGADLP Brc1ccoc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000751505573 575787697 /nfs/dbraw/zinc/78/76/97/575787697.db2.gz HIGDPAAQMVEWJZ-UHFFFAOYSA-N 2 2 310.195 3.029 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[Si](C)(C)C ZINC000743873270 575917313 /nfs/dbraw/zinc/91/73/13/575917313.db2.gz MKCJSZNYDQHXLR-UHFFFAOYSA-N 2 2 305.542 3.497 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[Si](C)(C)C ZINC000743873270 575917315 /nfs/dbraw/zinc/91/73/15/575917315.db2.gz MKCJSZNYDQHXLR-UHFFFAOYSA-N 2 2 305.542 3.497 20 0 DGADLP c1cn(C2CC2)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000891611285 617851290 /nfs/dbraw/zinc/85/12/90/617851290.db2.gz IJEKVDFZYSGUNS-UHFFFAOYSA-N 2 2 316.493 3.306 20 0 DGADLP CC[NH+](CC)C[C@H]1CCN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000892724250 618148667 /nfs/dbraw/zinc/14/86/67/618148667.db2.gz UBKPFQDFBFEMSO-OAHLLOKOSA-N 2 2 302.466 3.221 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925069963 618310329 /nfs/dbraw/zinc/31/03/29/618310329.db2.gz IJENDELGRLXNPY-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925069963 618310331 /nfs/dbraw/zinc/31/03/31/618310331.db2.gz IJENDELGRLXNPY-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP COC1CCC(C[N@H+](C)CCC[NH+](C)Cc2ccco2)CC1 ZINC000894436329 618330674 /nfs/dbraw/zinc/33/06/74/618330674.db2.gz SGRVOQKHXFYPTF-UHFFFAOYSA-N 2 2 308.466 3.239 20 0 DGADLP COC1CCC(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)CC1 ZINC000894436329 618330681 /nfs/dbraw/zinc/33/06/81/618330681.db2.gz SGRVOQKHXFYPTF-UHFFFAOYSA-N 2 2 308.466 3.239 20 0 DGADLP COC1CCC(C[NH+](C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000894436329 618330685 /nfs/dbraw/zinc/33/06/85/618330685.db2.gz SGRVOQKHXFYPTF-UHFFFAOYSA-N 2 2 308.466 3.239 20 0 DGADLP COC1CCC(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000894436329 618330691 /nfs/dbraw/zinc/33/06/91/618330691.db2.gz SGRVOQKHXFYPTF-UHFFFAOYSA-N 2 2 308.466 3.239 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)c(C)nn1C ZINC000894479824 618350409 /nfs/dbraw/zinc/35/04/09/618350409.db2.gz RWYCBLDEHIUCMF-UHFFFAOYSA-N 2 2 323.872 3.053 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)c(C)nn1C ZINC000894479824 618350416 /nfs/dbraw/zinc/35/04/16/618350416.db2.gz RWYCBLDEHIUCMF-UHFFFAOYSA-N 2 2 323.872 3.053 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000894478973 618350819 /nfs/dbraw/zinc/35/08/19/618350819.db2.gz HKDJMXPTOATNQL-UHFFFAOYSA-N 2 2 323.872 3.297 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000894478973 618350822 /nfs/dbraw/zinc/35/08/22/618350822.db2.gz HKDJMXPTOATNQL-UHFFFAOYSA-N 2 2 323.872 3.297 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000894495894 618359198 /nfs/dbraw/zinc/35/91/98/618359198.db2.gz NCWSQVGDHMIHCN-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000894495894 618359200 /nfs/dbraw/zinc/35/92/00/618359200.db2.gz NCWSQVGDHMIHCN-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000894495894 618359208 /nfs/dbraw/zinc/35/92/08/618359208.db2.gz NCWSQVGDHMIHCN-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000894495894 618359211 /nfs/dbraw/zinc/35/92/11/618359211.db2.gz NCWSQVGDHMIHCN-IEBWSBKVSA-N 2 2 301.478 3.196 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925502354 618419765 /nfs/dbraw/zinc/41/97/65/618419765.db2.gz KWPIZGSJLVMUQI-AYOQOUSVSA-N 3 2 313.489 3.072 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccsc1 ZINC000925525468 618463603 /nfs/dbraw/zinc/46/36/03/618463603.db2.gz BFOZIWQARDKCGS-KZNAEPCWSA-N 2 2 321.534 3.109 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000925591544 618502600 /nfs/dbraw/zinc/50/26/00/618502600.db2.gz QWSPBNXLEZWZNI-KGLIPLIRSA-N 2 2 307.869 3.357 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925616351 618509842 /nfs/dbraw/zinc/50/98/42/618509842.db2.gz RGZLWCOEBPRQIJ-RMRKRWHISA-N 2 2 304.459 3.238 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925675039 618526363 /nfs/dbraw/zinc/52/63/63/618526363.db2.gz DKZZKMWLMPAVOT-OAUYIBNBSA-N 2 2 304.821 3.052 20 0 DGADLP CC[C@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895111805 618540524 /nfs/dbraw/zinc/54/05/24/618540524.db2.gz KKRBXYJXHHWKEG-VQHPVUNQSA-N 2 2 303.450 3.116 20 0 DGADLP C[C@@H]([C@H]1CCCCO1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112479 618540602 /nfs/dbraw/zinc/54/06/02/618540602.db2.gz AEBUPEAHCYULDE-LUKYLMHMSA-N 2 2 303.450 3.116 20 0 DGADLP CCOc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895131481 618546801 /nfs/dbraw/zinc/54/68/01/618546801.db2.gz ISJBJUUKSVMBSW-SHTZXODSSA-N 2 2 315.417 3.350 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000893412732 618551380 /nfs/dbraw/zinc/55/13/80/618551380.db2.gz PJOZBVVIGFZGJX-DOTOQJQBSA-N 2 2 314.429 3.288 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000893412732 618551383 /nfs/dbraw/zinc/55/13/83/618551383.db2.gz PJOZBVVIGFZGJX-DOTOQJQBSA-N 2 2 314.429 3.288 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1Cl ZINC000893488933 618570779 /nfs/dbraw/zinc/57/07/79/618570779.db2.gz VTRNUTGPBCQJGO-OCCSQVGLSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1Cl ZINC000893488933 618570783 /nfs/dbraw/zinc/57/07/83/618570783.db2.gz VTRNUTGPBCQJGO-OCCSQVGLSA-N 2 2 324.900 3.125 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)[NH+](C)C ZINC000895292604 618589390 /nfs/dbraw/zinc/58/93/90/618589390.db2.gz RJTBLEYXRWQDBK-LBPRGKRZSA-N 2 2 312.479 3.133 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925797081 618621822 /nfs/dbraw/zinc/62/18/22/618621822.db2.gz TUEMVKAUBIFLSE-WMZOPIPTSA-N 2 2 302.462 3.113 20 0 DGADLP COc1cc(C)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1OC ZINC000893967044 618684356 /nfs/dbraw/zinc/68/43/56/618684356.db2.gz VQYKTZDSUWQORB-AWEZNQCLSA-N 2 2 315.417 3.115 20 0 DGADLP COc1cc(C)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1OC ZINC000893967044 618684358 /nfs/dbraw/zinc/68/43/58/618684358.db2.gz VQYKTZDSUWQORB-AWEZNQCLSA-N 2 2 315.417 3.115 20 0 DGADLP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000924959049 618749697 /nfs/dbraw/zinc/74/96/97/618749697.db2.gz RSNOZFKEZHDNQN-VOBGVNJCSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000924959049 618749700 /nfs/dbraw/zinc/74/97/00/618749700.db2.gz RSNOZFKEZHDNQN-VOBGVNJCSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1csc2ccccc12 ZINC000924964181 618751654 /nfs/dbraw/zinc/75/16/54/618751654.db2.gz JMSKZBBEIICEEF-SOUVJXGZSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1csc2ccccc12 ZINC000924964181 618751655 /nfs/dbraw/zinc/75/16/55/618751655.db2.gz JMSKZBBEIICEEF-SOUVJXGZSA-N 2 2 316.470 3.415 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000924966250 618752592 /nfs/dbraw/zinc/75/25/92/618752592.db2.gz QQSIABBVVIBTBO-CWRNSKLLSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000924966250 618752594 /nfs/dbraw/zinc/75/25/94/618752594.db2.gz QQSIABBVVIBTBO-CWRNSKLLSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1cccc2nc(C[NH2+]C3CC[NH+](CCC(C)C)CC3)cn21 ZINC000925018276 618765521 /nfs/dbraw/zinc/76/55/21/618765521.db2.gz FTJNHXHGUDCVRV-UHFFFAOYSA-N 2 2 314.477 3.243 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000895381546 618776483 /nfs/dbraw/zinc/77/64/83/618776483.db2.gz UPZKUZROKDVOOE-GDBMZVCRSA-N 2 2 301.434 3.380 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000895381546 618776484 /nfs/dbraw/zinc/77/64/84/618776484.db2.gz UPZKUZROKDVOOE-GDBMZVCRSA-N 2 2 301.434 3.380 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(O)c2Cl)CCN1c1cc[nH+]cc1 ZINC000895557897 618798790 /nfs/dbraw/zinc/79/87/90/618798790.db2.gz SJJNBUSPJJXELW-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(O)c2Cl)CCN1c1cc[nH+]cc1 ZINC000895557897 618798792 /nfs/dbraw/zinc/79/87/92/618798792.db2.gz SJJNBUSPJJXELW-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000895672436 618816291 /nfs/dbraw/zinc/81/62/91/618816291.db2.gz YFWBQVIEJKIMAB-UHFFFAOYSA-N 2 2 310.445 3.137 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(Cl)cs1 ZINC000895683883 618818343 /nfs/dbraw/zinc/81/83/43/618818343.db2.gz WXRUBZASNRFTBY-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(Cl)cs1 ZINC000895683883 618818345 /nfs/dbraw/zinc/81/83/45/618818345.db2.gz WXRUBZASNRFTBY-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP CCCn1nc(C)c(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c1C ZINC000895827651 618834468 /nfs/dbraw/zinc/83/44/68/618834468.db2.gz NZYPJQULEITYKE-UHFFFAOYSA-N 2 2 318.509 3.360 20 0 DGADLP COc1ccsc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195456 618884045 /nfs/dbraw/zinc/88/40/45/618884045.db2.gz KAQUZQXSEDPJIU-UHFFFAOYSA-N 2 2 303.431 3.228 20 0 DGADLP CC[C@H]1C[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCO1 ZINC000896194569 618885202 /nfs/dbraw/zinc/88/52/02/618885202.db2.gz DDTDLVZMWXXIRR-WBVHZDCISA-N 2 2 303.450 3.163 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CS1 ZINC000896720965 618948314 /nfs/dbraw/zinc/94/83/14/618948314.db2.gz KIROQTPZSQQDKI-ULQDDVLXSA-N 2 2 307.507 3.194 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000788988419 625315893 /nfs/dbraw/zinc/31/58/93/625315893.db2.gz QOMXDBSQQFKZNT-KDOFPFPSSA-N 2 2 302.462 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000788988419 625315900 /nfs/dbraw/zinc/31/59/00/625315900.db2.gz QOMXDBSQQFKZNT-KDOFPFPSSA-N 2 2 302.462 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000788988421 625316030 /nfs/dbraw/zinc/31/60/30/625316030.db2.gz QOMXDBSQQFKZNT-KSSFIOAISA-N 2 2 302.462 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000788988421 625316042 /nfs/dbraw/zinc/31/60/42/625316042.db2.gz QOMXDBSQQFKZNT-KSSFIOAISA-N 2 2 302.462 3.492 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](CCCc3c(F)cccc3Cl)C[C@]2(C)C1 ZINC000897621810 619167750 /nfs/dbraw/zinc/16/77/50/619167750.db2.gz VDBRWUQWRAANMS-DYVFJYSZSA-N 2 2 310.844 3.295 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](CCCc3c(F)cccc3Cl)C[C@]2(C)C1 ZINC000897621810 619167751 /nfs/dbraw/zinc/16/77/51/619167751.db2.gz VDBRWUQWRAANMS-DYVFJYSZSA-N 2 2 310.844 3.295 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](CCCc3c(F)cccc3Cl)C[C@]2(C)C1 ZINC000897621810 619167753 /nfs/dbraw/zinc/16/77/53/619167753.db2.gz VDBRWUQWRAANMS-DYVFJYSZSA-N 2 2 310.844 3.295 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](CCCc3c(F)cccc3Cl)C[C@]2(C)C1 ZINC000897621810 619167755 /nfs/dbraw/zinc/16/77/55/619167755.db2.gz VDBRWUQWRAANMS-DYVFJYSZSA-N 2 2 310.844 3.295 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000841062411 619249652 /nfs/dbraw/zinc/24/96/52/619249652.db2.gz WHJSJIXPVRJBJS-TZMCWYRMSA-N 2 2 318.852 3.064 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000841062410 619249658 /nfs/dbraw/zinc/24/96/58/619249658.db2.gz WHJSJIXPVRJBJS-OCCSQVGLSA-N 2 2 318.852 3.064 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000926965674 619253659 /nfs/dbraw/zinc/25/36/59/619253659.db2.gz RXTNSQJXHMPPQI-AAEUAGOBSA-N 2 2 302.821 3.096 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCS1 ZINC000927029781 619258280 /nfs/dbraw/zinc/25/82/80/619258280.db2.gz FWADJYUWXDRVEX-KONPQCLYSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCS1 ZINC000927029781 619258283 /nfs/dbraw/zinc/25/82/83/619258283.db2.gz FWADJYUWXDRVEX-KONPQCLYSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)[NH+]1CCCCC1 ZINC000924727339 619268403 /nfs/dbraw/zinc/26/84/03/619268403.db2.gz UMBKOWWWFQBDIG-ZHALLVOQSA-N 2 2 301.478 3.257 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000902364209 619627578 /nfs/dbraw/zinc/62/75/78/619627578.db2.gz PXURGFNAIAZEEP-CVEARBPZSA-N 2 2 308.466 3.361 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902437033 619635758 /nfs/dbraw/zinc/63/57/58/619635758.db2.gz GQPWDPDDZYGZEL-UYVJDWJCSA-N 2 2 310.441 3.402 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440245 619636783 /nfs/dbraw/zinc/63/67/83/619636783.db2.gz XTBJSNWQQIVJCM-SMHULIPUSA-N 2 2 320.440 3.098 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000902414933 619638029 /nfs/dbraw/zinc/63/80/29/619638029.db2.gz HGCKUVBTWPFZSX-QMMMGPOBSA-N 2 2 322.302 3.031 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902450153 619639872 /nfs/dbraw/zinc/63/98/72/619639872.db2.gz RIQRNJXTIOOHEH-XUJVJEKNSA-N 2 2 303.475 3.376 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902470476 619642292 /nfs/dbraw/zinc/64/22/92/619642292.db2.gz YFZHAHDQTPGJKO-OYNPSCLESA-N 2 2 322.452 3.462 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc2c(c1)OCCCO2 ZINC000902483887 619645599 /nfs/dbraw/zinc/64/55/99/619645599.db2.gz SLBCEYDOURTLGD-GDBMZVCRSA-N 2 2 304.434 3.031 20 0 DGADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902483580 619645766 /nfs/dbraw/zinc/64/57/66/619645766.db2.gz RVXWNUGXOWXBQZ-QRQLOZEOSA-N 2 2 302.462 3.276 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902731073 619667144 /nfs/dbraw/zinc/66/71/44/619667144.db2.gz IQEKTXMZJIHANW-LLVKDONJSA-N 2 2 313.367 3.378 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000902893599 619689720 /nfs/dbraw/zinc/68/97/20/619689720.db2.gz ADBDYXMVFJUBDD-FZDIXFNVSA-N 2 2 323.440 3.481 20 0 DGADLP CO[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000902910342 619692569 /nfs/dbraw/zinc/69/25/69/619692569.db2.gz HXGZAAWVMZFMKC-SMDDNHRTSA-N 2 2 313.323 3.100 20 0 DGADLP Fc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCOCC1 ZINC000903056409 619707404 /nfs/dbraw/zinc/70/74/04/619707404.db2.gz UJQKMCCSFVWUGH-GOSISDBHSA-N 2 2 317.408 3.170 20 0 DGADLP c1ccc(NCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[nH+]c1 ZINC000903090247 619714492 /nfs/dbraw/zinc/71/44/92/619714492.db2.gz XSKZEQPCOPEKMD-ZNXRZULTSA-N 3 2 314.477 3.021 20 0 DGADLP c1ccc(NCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[nH+]c1 ZINC000903090247 619714493 /nfs/dbraw/zinc/71/44/93/619714493.db2.gz XSKZEQPCOPEKMD-ZNXRZULTSA-N 3 2 314.477 3.021 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070032 619715070 /nfs/dbraw/zinc/71/50/70/619715070.db2.gz OCMOIMVFPJIPGL-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070032 619715071 /nfs/dbraw/zinc/71/50/71/619715071.db2.gz OCMOIMVFPJIPGL-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC000903107603 619718026 /nfs/dbraw/zinc/71/80/26/619718026.db2.gz ZABRELFIIQQBPP-XGSMCBPESA-N 3 2 317.521 3.141 20 0 DGADLP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC000903107603 619718027 /nfs/dbraw/zinc/71/80/27/619718027.db2.gz ZABRELFIIQQBPP-XGSMCBPESA-N 3 2 317.521 3.141 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000903162127 619727795 /nfs/dbraw/zinc/72/77/95/619727795.db2.gz XZFCSUQSMBDZJV-HIFRSBDPSA-N 2 2 304.400 3.429 20 0 DGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(Cl)n1 ZINC000903219358 619741143 /nfs/dbraw/zinc/74/11/43/619741143.db2.gz IFAUFFDIQPSRCQ-VHRNVKJDSA-N 2 2 305.853 3.291 20 0 DGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(Cl)n1 ZINC000903219358 619741146 /nfs/dbraw/zinc/74/11/46/619741146.db2.gz IFAUFFDIQPSRCQ-VHRNVKJDSA-N 2 2 305.853 3.291 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cccnc1 ZINC000903379199 619768106 /nfs/dbraw/zinc/76/81/06/619768106.db2.gz VCVIXIJXZUGVNQ-SQNIBIBYSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1(C)C ZINC000903380065 619768573 /nfs/dbraw/zinc/76/85/73/619768573.db2.gz JWSZYPQFGFZGSU-RCCFBDPRSA-N 2 2 319.493 3.256 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1(C)C ZINC000903380061 619768658 /nfs/dbraw/zinc/76/86/58/619768658.db2.gz JWSZYPQFGFZGSU-KZNAEPCWSA-N 2 2 319.493 3.256 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379825 619768777 /nfs/dbraw/zinc/76/87/77/619768777.db2.gz ZDDMGEZSHPKOOV-LPHOPBHVSA-N 2 2 312.461 3.080 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C)c2Br)C1 ZINC000903713617 619806618 /nfs/dbraw/zinc/80/66/18/619806618.db2.gz XRIKJBCSXSPKEG-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C)c2Br)C1 ZINC000903713617 619806621 /nfs/dbraw/zinc/80/66/21/619806621.db2.gz XRIKJBCSXSPKEG-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000903915113 619831133 /nfs/dbraw/zinc/83/11/33/619831133.db2.gz NBABPSHEAMDWNU-IUODEOHRSA-N 2 2 300.368 3.378 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000903915113 619831135 /nfs/dbraw/zinc/83/11/35/619831135.db2.gz NBABPSHEAMDWNU-IUODEOHRSA-N 2 2 300.368 3.378 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCc3sc(C[NH3+])nc3C2)c(C)c1 ZINC000903941226 619841470 /nfs/dbraw/zinc/84/14/70/619841470.db2.gz RUIXTJKFULPGEU-UHFFFAOYSA-N 2 2 301.459 3.085 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCc3sc(C[NH3+])nc3C2)c(C)c1 ZINC000903941226 619841471 /nfs/dbraw/zinc/84/14/71/619841471.db2.gz RUIXTJKFULPGEU-UHFFFAOYSA-N 2 2 301.459 3.085 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2c3ccccc3NC2(C)C)s1 ZINC000903947599 619843932 /nfs/dbraw/zinc/84/39/32/619843932.db2.gz BUROUZATNRNNTJ-INIZCTEOSA-N 2 2 316.474 3.240 20 0 DGADLP CCCCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955643 619846285 /nfs/dbraw/zinc/84/62/85/619846285.db2.gz YBGHXSLVAZYFCW-OAHLLOKOSA-N 2 2 312.404 3.200 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC000911764904 620345008 /nfs/dbraw/zinc/34/50/08/620345008.db2.gz PDFMGWZGWSFKLX-MRXNPFEDSA-N 2 2 322.412 3.116 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000841100630 620450740 /nfs/dbraw/zinc/45/07/40/620450740.db2.gz JGMMBCVMKFFZGF-TZMCWYRMSA-N 2 2 312.889 3.062 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000841100630 620450741 /nfs/dbraw/zinc/45/07/41/620450741.db2.gz JGMMBCVMKFFZGF-TZMCWYRMSA-N 2 2 312.889 3.062 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccn1 ZINC000152382493 620503157 /nfs/dbraw/zinc/50/31/57/620503157.db2.gz SCUZUPKGHQKIIC-INIZCTEOSA-N 2 2 324.472 3.467 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921499731 620873946 /nfs/dbraw/zinc/87/39/46/620873946.db2.gz FXAHJCPSHDZICI-UHFFFAOYSA-N 2 2 304.482 3.042 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnn(C3CCC3)c2)c[nH+]1 ZINC000921518023 620895377 /nfs/dbraw/zinc/89/53/77/620895377.db2.gz RGGPFGWDTONUOH-UHFFFAOYSA-N 2 2 321.428 3.143 20 0 DGADLP C[C@H](C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)C[NH+]1CCCCC1 ZINC000921564758 620908708 /nfs/dbraw/zinc/90/87/08/620908708.db2.gz XLUQLLHHJFYBIY-GFCCVEGCSA-N 2 2 310.873 3.152 20 0 DGADLP CC(C)(C)c1coc(C[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000921668390 620930479 /nfs/dbraw/zinc/93/04/79/620930479.db2.gz YKARVQGZQWMPOR-UHFFFAOYSA-N 2 2 302.422 3.349 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC2(C)CC2)CCOCC1 ZINC000922745239 621094013 /nfs/dbraw/zinc/09/40/13/621094013.db2.gz LDHNZEZBOVCOQN-UHFFFAOYSA-N 2 2 302.462 3.057 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC2(C)CC2)CCOCC1 ZINC000922745239 621094018 /nfs/dbraw/zinc/09/40/18/621094018.db2.gz LDHNZEZBOVCOQN-UHFFFAOYSA-N 2 2 302.462 3.057 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857872276 621125926 /nfs/dbraw/zinc/12/59/26/621125926.db2.gz JUNYYPPXLDLAAF-QGZVFWFLSA-N 2 2 304.482 3.421 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857872276 621125927 /nfs/dbraw/zinc/12/59/27/621125927.db2.gz JUNYYPPXLDLAAF-QGZVFWFLSA-N 2 2 304.482 3.421 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857872276 621125928 /nfs/dbraw/zinc/12/59/28/621125928.db2.gz JUNYYPPXLDLAAF-QGZVFWFLSA-N 2 2 304.482 3.421 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857872276 621125929 /nfs/dbraw/zinc/12/59/29/621125929.db2.gz JUNYYPPXLDLAAF-QGZVFWFLSA-N 2 2 304.482 3.421 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000858361982 621181399 /nfs/dbraw/zinc/18/13/99/621181399.db2.gz JRELVWVOQXOEKC-ZYSHUDEJSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000858361982 621181400 /nfs/dbraw/zinc/18/14/00/621181400.db2.gz JRELVWVOQXOEKC-ZYSHUDEJSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1ccccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000839531705 621447832 /nfs/dbraw/zinc/44/78/32/621447832.db2.gz NMEUCXVYMSWMHX-UHFFFAOYSA-N 2 2 311.429 3.345 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C2CC2)c1 ZINC000753861373 621469169 /nfs/dbraw/zinc/46/91/69/621469169.db2.gz ZYBZANJEQYANAO-OXQOHEQNSA-N 2 2 316.489 3.480 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000754796336 621533458 /nfs/dbraw/zinc/53/34/58/621533458.db2.gz VPMCHTVENGCEJT-LMMKCTJWSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000754796336 621533459 /nfs/dbraw/zinc/53/34/59/621533459.db2.gz VPMCHTVENGCEJT-LMMKCTJWSA-N 2 2 302.462 3.228 20 0 DGADLP COCC(C)(C)C[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000755212791 621558775 /nfs/dbraw/zinc/55/87/75/621558775.db2.gz TZGTVVOYBJBFLG-UHFFFAOYSA-N 2 2 319.493 3.302 20 0 DGADLP Cc1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccnc1F ZINC000862263972 621569828 /nfs/dbraw/zinc/56/98/28/621569828.db2.gz CWSJHEHPSNDGHU-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000863654067 621694303 /nfs/dbraw/zinc/69/43/03/621694303.db2.gz TVQDVUXPPUPUEL-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1 ZINC000863654067 621694304 /nfs/dbraw/zinc/69/43/04/621694304.db2.gz TVQDVUXPPUPUEL-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865416951 621915895 /nfs/dbraw/zinc/91/58/95/621915895.db2.gz RSTHUKHRSLFPOA-OLZOCXBDSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865416951 621915898 /nfs/dbraw/zinc/91/58/98/621915898.db2.gz RSTHUKHRSLFPOA-OLZOCXBDSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865416952 621915909 /nfs/dbraw/zinc/91/59/09/621915909.db2.gz RSTHUKHRSLFPOA-QWHCGFSZSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865416952 621915911 /nfs/dbraw/zinc/91/59/11/621915911.db2.gz RSTHUKHRSLFPOA-QWHCGFSZSA-N 2 2 314.351 3.144 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865455717 621925848 /nfs/dbraw/zinc/92/58/48/621925848.db2.gz FBGLDOHKENZJFS-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865455717 621925850 /nfs/dbraw/zinc/92/58/50/621925850.db2.gz FBGLDOHKENZJFS-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC000865725774 621984101 /nfs/dbraw/zinc/98/41/01/621984101.db2.gz OHUQSGGCUFQAHD-CYBMUJFWSA-N 2 2 310.429 3.279 20 0 DGADLP ClC1(Cl)C[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761116431 621988046 /nfs/dbraw/zinc/98/80/46/621988046.db2.gz BSUGESQBALRHCK-NSHDSACASA-N 2 2 300.233 3.152 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cc2)c[nH+]1 ZINC000865761989 621990727 /nfs/dbraw/zinc/99/07/27/621990727.db2.gz UJCSWBRFIVSWNX-IEBWSBKVSA-N 2 2 311.429 3.167 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC34CCOCC4)cc2)c[nH+]1 ZINC000865778438 621993671 /nfs/dbraw/zinc/99/36/71/621993671.db2.gz KFEURYIOUABPHK-KRWDZBQOSA-N 2 2 311.429 3.169 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C3([C@@H]4CCCCO4)CCC3)cc2)c[nH+]1 ZINC000865856973 622009365 /nfs/dbraw/zinc/00/93/65/622009365.db2.gz MRJXEWCUMDKYOI-SFHVURJKSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000866230314 622071042 /nfs/dbraw/zinc/07/10/42/622071042.db2.gz ZJAQKDKZGDBFHH-HOTGVXAUSA-N 2 2 308.429 3.431 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000866243964 622075103 /nfs/dbraw/zinc/07/51/03/622075103.db2.gz JYHRWKJNWVEVEP-RTBURBONSA-N 2 2 311.429 3.310 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476645 622077997 /nfs/dbraw/zinc/07/79/97/622077997.db2.gz OPNLVSCZKTXRGK-VQIMIIECSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476645 622078001 /nfs/dbraw/zinc/07/80/01/622078001.db2.gz OPNLVSCZKTXRGK-VQIMIIECSA-N 2 2 324.472 3.050 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000866706840 622158803 /nfs/dbraw/zinc/15/88/03/622158803.db2.gz FIOQXVRDZOFMLJ-HNNXBMFYSA-N 2 2 315.383 3.297 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000866706840 622158806 /nfs/dbraw/zinc/15/88/06/622158806.db2.gz FIOQXVRDZOFMLJ-HNNXBMFYSA-N 2 2 315.383 3.297 20 0 DGADLP C[C@H]1CC[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000121694426 622174163 /nfs/dbraw/zinc/17/41/63/622174163.db2.gz LGCMEHYEPMYHAD-LPHOPBHVSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000121694426 622174164 /nfs/dbraw/zinc/17/41/64/622174164.db2.gz LGCMEHYEPMYHAD-LPHOPBHVSA-N 2 2 321.428 3.287 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000764948211 622235082 /nfs/dbraw/zinc/23/50/82/622235082.db2.gz GXUIVVSMBJSDML-DLBZAZTESA-N 2 2 304.478 3.480 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000764948211 622235086 /nfs/dbraw/zinc/23/50/86/622235086.db2.gz GXUIVVSMBJSDML-DLBZAZTESA-N 2 2 304.478 3.480 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000765251242 622253892 /nfs/dbraw/zinc/25/38/92/622253892.db2.gz NEXUPEQVWDYXDK-CZUORRHYSA-N 2 2 301.438 3.055 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000765249300 622254011 /nfs/dbraw/zinc/25/40/11/622254011.db2.gz GIZOVSLBFCMQTC-SJLPKXTDSA-N 2 2 312.461 3.166 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000765491949 622268100 /nfs/dbraw/zinc/26/81/00/622268100.db2.gz YGWQKYGPOMZVNB-CQSZACIVSA-N 2 2 308.385 3.281 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000766223475 622313390 /nfs/dbraw/zinc/31/33/90/622313390.db2.gz OCWLHPOAUWITSE-ONIAQPFYSA-N 2 2 319.518 3.166 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000766223475 622313392 /nfs/dbraw/zinc/31/33/92/622313392.db2.gz OCWLHPOAUWITSE-ONIAQPFYSA-N 2 2 319.518 3.166 20 0 DGADLP CS[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766605169 622341921 /nfs/dbraw/zinc/34/19/21/622341921.db2.gz RRUHXADPNJBXME-MSOLQXFVSA-N 2 2 319.518 3.205 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1F ZINC000769541084 622539327 /nfs/dbraw/zinc/53/93/27/622539327.db2.gz BVVDUPGWTCOSLG-GJZGRUSLSA-N 2 2 308.441 3.087 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1F ZINC000769541084 622539328 /nfs/dbraw/zinc/53/93/28/622539328.db2.gz BVVDUPGWTCOSLG-GJZGRUSLSA-N 2 2 308.441 3.087 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770002419 622589144 /nfs/dbraw/zinc/58/91/44/622589144.db2.gz SXJDQLBAUVUKSE-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770002419 622589149 /nfs/dbraw/zinc/58/91/49/622589149.db2.gz SXJDQLBAUVUKSE-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374306 622625908 /nfs/dbraw/zinc/62/59/08/622625908.db2.gz LCKGDIFWJMPLFP-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374306 622625915 /nfs/dbraw/zinc/62/59/15/622625915.db2.gz LCKGDIFWJMPLFP-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000770374306 622625920 /nfs/dbraw/zinc/62/59/20/622625920.db2.gz LCKGDIFWJMPLFP-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000770374306 622625924 /nfs/dbraw/zinc/62/59/24/622625924.db2.gz LCKGDIFWJMPLFP-RDJZCZTQSA-N 2 2 319.880 3.492 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)ccc1F ZINC000872023295 622757372 /nfs/dbraw/zinc/75/73/72/622757372.db2.gz FFJFEIBRPFREJU-BLLLJJGKSA-N 2 2 305.397 3.493 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1F ZINC000872024314 622757817 /nfs/dbraw/zinc/75/78/17/622757817.db2.gz QBASVROYINYKOD-IUODEOHRSA-N 2 2 305.397 3.493 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872108911 622811148 /nfs/dbraw/zinc/81/11/48/622811148.db2.gz DUPLZRDZPVFQDG-OYSPMZIOSA-N 2 2 311.429 3.481 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2c1 ZINC000872149201 622832630 /nfs/dbraw/zinc/83/26/30/622832630.db2.gz MQEVXPOJIRZWLX-GJZGRUSLSA-N 2 2 323.362 3.112 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2c1 ZINC000872149201 622832634 /nfs/dbraw/zinc/83/26/34/622832634.db2.gz MQEVXPOJIRZWLX-GJZGRUSLSA-N 2 2 323.362 3.112 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147855 622833234 /nfs/dbraw/zinc/83/32/34/622833234.db2.gz FPAPAEPPWAVLKE-MRCXROJRSA-N 2 2 322.321 3.485 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147855 622833238 /nfs/dbraw/zinc/83/32/38/622833238.db2.gz FPAPAEPPWAVLKE-MRCXROJRSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(C)(C)C ZINC000772952565 622956921 /nfs/dbraw/zinc/95/69/21/622956921.db2.gz IUCCZAZVHIDOMI-NVXWUHKLSA-N 2 2 321.534 3.413 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(C)(C)C ZINC000772952565 622956924 /nfs/dbraw/zinc/95/69/24/622956924.db2.gz IUCCZAZVHIDOMI-NVXWUHKLSA-N 2 2 321.534 3.413 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000873223810 623081742 /nfs/dbraw/zinc/08/17/42/623081742.db2.gz SPNMGUBRDMJUJL-INIZCTEOSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000873223810 623081746 /nfs/dbraw/zinc/08/17/46/623081746.db2.gz SPNMGUBRDMJUJL-INIZCTEOSA-N 2 2 300.368 3.301 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873227757 623083142 /nfs/dbraw/zinc/08/31/42/623083142.db2.gz LVXSJBGQJLKAQA-NWDGAFQWSA-N 2 2 306.759 3.217 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1Cl ZINC000873227757 623083145 /nfs/dbraw/zinc/08/31/45/623083145.db2.gz LVXSJBGQJLKAQA-NWDGAFQWSA-N 2 2 306.759 3.217 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236213 623087154 /nfs/dbraw/zinc/08/71/54/623087154.db2.gz YTADRQIZDTVWSW-HZPDHXFCSA-N 2 2 317.477 3.080 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236214 623087268 /nfs/dbraw/zinc/08/72/68/623087268.db2.gz YTADRQIZDTVWSW-JKSUJKDBSA-N 2 2 317.477 3.080 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2cc(F)ccc12 ZINC000873275953 623101245 /nfs/dbraw/zinc/10/12/45/623101245.db2.gz PAMMKMQTNRGKKQ-OCCSQVGLSA-N 2 2 305.397 3.367 20 0 DGADLP COCC(C)(C)CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000873279982 623101966 /nfs/dbraw/zinc/10/19/66/623101966.db2.gz NUNKGUXOHARDLS-QZTJIDSGSA-N 2 2 320.477 3.141 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438708 623144644 /nfs/dbraw/zinc/14/46/44/623144644.db2.gz GRKRSRCMIHLKEG-SUMWQHHRSA-N 2 2 317.433 3.304 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438708 623144647 /nfs/dbraw/zinc/14/46/47/623144647.db2.gz GRKRSRCMIHLKEG-SUMWQHHRSA-N 2 2 317.433 3.304 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cn1 ZINC000775503393 623281379 /nfs/dbraw/zinc/28/13/79/623281379.db2.gz HQAWPQUHLOAAAR-BBRMVZONSA-N 2 2 323.868 3.029 20 0 DGADLP Clc1ccc(OC[C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000775930937 623353210 /nfs/dbraw/zinc/35/32/10/623353210.db2.gz KSEMVWSJBSQSME-MRXNPFEDSA-N 2 2 319.836 3.470 20 0 DGADLP Clc1ccc(OC[C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000775930937 623353216 /nfs/dbraw/zinc/35/32/16/623353216.db2.gz KSEMVWSJBSQSME-MRXNPFEDSA-N 2 2 319.836 3.470 20 0 DGADLP FC(F)Sc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778189666 623621840 /nfs/dbraw/zinc/62/18/40/623621840.db2.gz SRSQDOBHVRCAGI-LBPRGKRZSA-N 2 2 309.385 3.302 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2N(C)C)CC1 ZINC000876559502 623643647 /nfs/dbraw/zinc/64/36/47/623643647.db2.gz AXCPVOHAXUYMHR-UHFFFAOYSA-N 2 2 307.457 3.196 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2N(C)C)CC1 ZINC000876559502 623643649 /nfs/dbraw/zinc/64/36/49/623643649.db2.gz AXCPVOHAXUYMHR-UHFFFAOYSA-N 2 2 307.457 3.196 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876595807 623655967 /nfs/dbraw/zinc/65/59/67/623655967.db2.gz LOBCRBNKRVTOSH-UHFFFAOYSA-N 2 2 309.866 3.476 20 0 DGADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000876735324 623692085 /nfs/dbraw/zinc/69/20/85/623692085.db2.gz DITCYNFVCCUWEX-JPQUEUOBSA-N 2 2 324.428 3.044 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000876759433 623699100 /nfs/dbraw/zinc/69/91/00/623699100.db2.gz QDHCZCRNWRUMGG-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000876759433 623699104 /nfs/dbraw/zinc/69/91/04/623699104.db2.gz QDHCZCRNWRUMGG-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000876932669 623748034 /nfs/dbraw/zinc/74/80/34/623748034.db2.gz SMYGQGBIQLSOHH-QRWLVFNGSA-N 2 2 304.415 3.031 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877034082 623771249 /nfs/dbraw/zinc/77/12/49/623771249.db2.gz XMKXLMXHVXCAFG-XLIONFOSSA-N 2 2 324.472 3.430 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877034082 623771255 /nfs/dbraw/zinc/77/12/55/623771255.db2.gz XMKXLMXHVXCAFG-XLIONFOSSA-N 2 2 324.472 3.430 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000877067230 623782551 /nfs/dbraw/zinc/78/25/51/623782551.db2.gz ZTUMSGHINPOLIN-KBPBESRZSA-N 2 2 324.255 3.487 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000877075502 623784901 /nfs/dbraw/zinc/78/49/01/623784901.db2.gz DVSFGAXVZVMMJJ-AEFFLSMTSA-N 2 2 322.518 3.009 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000877480555 623903287 /nfs/dbraw/zinc/90/32/87/623903287.db2.gz ZEXGEXODZXOZTJ-VFNWGFHPSA-N 2 2 318.442 3.421 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000877480555 623903293 /nfs/dbraw/zinc/90/32/93/623903293.db2.gz ZEXGEXODZXOZTJ-VFNWGFHPSA-N 2 2 318.442 3.421 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530657 623927984 /nfs/dbraw/zinc/92/79/84/623927984.db2.gz FBXHWBDHIFDUBW-CXAGYDPISA-N 2 2 301.409 3.146 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530657 623927987 /nfs/dbraw/zinc/92/79/87/623927987.db2.gz FBXHWBDHIFDUBW-CXAGYDPISA-N 2 2 301.409 3.146 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530657 623927991 /nfs/dbraw/zinc/92/79/91/623927991.db2.gz FBXHWBDHIFDUBW-CXAGYDPISA-N 2 2 301.409 3.146 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530657 623927995 /nfs/dbraw/zinc/92/79/95/623927995.db2.gz FBXHWBDHIFDUBW-CXAGYDPISA-N 2 2 301.409 3.146 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000877656565 623979962 /nfs/dbraw/zinc/97/99/62/623979962.db2.gz MAVVILRUYGYZHB-PXARDIRTSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000877656565 623979967 /nfs/dbraw/zinc/97/99/67/623979967.db2.gz MAVVILRUYGYZHB-PXARDIRTSA-N 2 2 316.426 3.316 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345351 624250712 /nfs/dbraw/zinc/25/07/12/624250712.db2.gz QOWSNCQPZDUZFF-YJBOKZPZSA-N 2 2 311.429 3.482 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878513113 624294932 /nfs/dbraw/zinc/29/49/32/624294932.db2.gz VEWZPZSRZRAWHQ-QZTJIDSGSA-N 2 2 317.477 3.128 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878513113 624294934 /nfs/dbraw/zinc/29/49/34/624294934.db2.gz VEWZPZSRZRAWHQ-QZTJIDSGSA-N 2 2 317.477 3.128 20 0 DGADLP CCSCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783638299 624378035 /nfs/dbraw/zinc/37/80/35/624378035.db2.gz BUDYYKUKPXTELS-UHFFFAOYSA-N 2 2 307.507 3.064 20 0 DGADLP C[C@H]1SCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783638274 624378048 /nfs/dbraw/zinc/37/80/48/624378048.db2.gz BCBZTARBMYOKRB-KDOFPFPSSA-N 2 2 319.518 3.205 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578597 624598278 /nfs/dbraw/zinc/59/82/78/624598278.db2.gz FPMIZAWBNYVQBF-KSSFIOAISA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578597 624598282 /nfs/dbraw/zinc/59/82/82/624598282.db2.gz FPMIZAWBNYVQBF-KSSFIOAISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578597 624598286 /nfs/dbraw/zinc/59/82/86/624598286.db2.gz FPMIZAWBNYVQBF-KSSFIOAISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@@H]21 ZINC000879578597 624598289 /nfs/dbraw/zinc/59/82/89/624598289.db2.gz FPMIZAWBNYVQBF-KSSFIOAISA-N 2 2 315.848 3.414 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1scnc1C1CC1 ZINC000785432455 624666362 /nfs/dbraw/zinc/66/63/62/624666362.db2.gz SWFDCNIWUMXNJO-AWEZNQCLSA-N 2 2 304.463 3.422 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000879951384 624730699 /nfs/dbraw/zinc/73/06/99/624730699.db2.gz MLMFCPCNQKWQES-UHFFFAOYSA-N 2 2 314.433 3.063 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880131609 624799576 /nfs/dbraw/zinc/79/95/76/624799576.db2.gz JPXDPFAYAXBRJI-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131609 624799581 /nfs/dbraw/zinc/79/95/81/624799581.db2.gz JPXDPFAYAXBRJI-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131609 624799587 /nfs/dbraw/zinc/79/95/87/624799587.db2.gz JPXDPFAYAXBRJI-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131609 624799592 /nfs/dbraw/zinc/79/95/92/624799592.db2.gz JPXDPFAYAXBRJI-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880131611 624799967 /nfs/dbraw/zinc/79/99/67/624799967.db2.gz JPXDPFAYAXBRJI-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131611 624799969 /nfs/dbraw/zinc/79/99/69/624799969.db2.gz JPXDPFAYAXBRJI-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131611 624799970 /nfs/dbraw/zinc/79/99/70/624799970.db2.gz JPXDPFAYAXBRJI-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131611 624799971 /nfs/dbraw/zinc/79/99/71/624799971.db2.gz JPXDPFAYAXBRJI-ROUUACIJSA-N 2 2 302.462 3.241 20 0 DGADLP C(=C\c1ccccc1)\CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206191 624840657 /nfs/dbraw/zinc/84/06/57/624840657.db2.gz CTLHQUIVCDMFJL-WVPUOPKMSA-N 2 2 314.473 3.323 20 0 DGADLP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206191 624840659 /nfs/dbraw/zinc/84/06/59/624840659.db2.gz CTLHQUIVCDMFJL-WVPUOPKMSA-N 2 2 314.473 3.323 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000880255165 624871472 /nfs/dbraw/zinc/87/14/72/624871472.db2.gz CEGNCFGJUREWTG-AWEZNQCLSA-N 2 2 322.415 3.030 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000880472590 624964169 /nfs/dbraw/zinc/96/41/69/624964169.db2.gz URFXMJVYACBYRM-UHFFFAOYSA-N 2 2 313.420 3.434 20 0 DGADLP CC1(C)CC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)OC1 ZINC000880569341 624979025 /nfs/dbraw/zinc/97/90/25/624979025.db2.gz CJDACVMCIPXHAX-ZWKOTPCHSA-N 2 2 313.445 3.419 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568810 624979436 /nfs/dbraw/zinc/97/94/36/624979436.db2.gz DBSWFAXAHWUOBR-LJQANCHMSA-N 3 2 323.444 3.199 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000880570895 624979671 /nfs/dbraw/zinc/97/96/71/624979671.db2.gz ZPUGTGMHBVWSDZ-IBGZPJMESA-N 2 2 306.413 3.160 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2ccc3c(c2)COC3)c2ccccc2)c[nH+]1 ZINC000880570040 624979847 /nfs/dbraw/zinc/97/98/47/624979847.db2.gz SNFQFOLWTRGWGB-FQEVSTJZSA-N 2 2 319.408 3.444 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3ccc(F)cc32)s1 ZINC000796286531 626035391 /nfs/dbraw/zinc/03/53/91/626035391.db2.gz FJYWEEUBUJIBBB-HNNXBMFYSA-N 2 2 305.422 3.121 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000798003555 626188679 /nfs/dbraw/zinc/18/86/79/626188679.db2.gz DLXHPJMFFOLFRT-WOJBJXKFSA-N 2 2 313.489 3.500 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000798491869 626220450 /nfs/dbraw/zinc/22/04/50/626220450.db2.gz NFUWWDPWKVLLFT-MRXNPFEDSA-N 2 2 303.454 3.173 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000799718498 626323953 /nfs/dbraw/zinc/32/39/53/626323953.db2.gz CXEMTICRAOQNEI-QAPCUYQASA-N 2 2 308.441 3.367 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000799718498 626323955 /nfs/dbraw/zinc/32/39/55/626323955.db2.gz CXEMTICRAOQNEI-QAPCUYQASA-N 2 2 308.441 3.367 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)oc1C ZINC000800479114 626363509 /nfs/dbraw/zinc/36/35/09/626363509.db2.gz WWBOQZVNKPVHRL-RHSMWYFYSA-N 2 2 306.450 3.190 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)oc1C ZINC000800479113 626363534 /nfs/dbraw/zinc/36/35/34/626363534.db2.gz WWBOQZVNKPVHRL-PBHICJAKSA-N 2 2 306.450 3.190 20 0 DGADLP CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC(F)(F)C1 ZINC000883250983 626624568 /nfs/dbraw/zinc/62/45/68/626624568.db2.gz XMPLJDKLMVFKMB-UHFFFAOYSA-N 2 2 314.342 3.428 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCOC1 ZINC000883353519 626657256 /nfs/dbraw/zinc/65/72/56/626657256.db2.gz WMYCOKKUJCGVSL-CZUORRHYSA-N 2 2 305.447 3.229 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)c2ccccc2)c[nH+]1 ZINC000883388081 626669250 /nfs/dbraw/zinc/66/92/50/626669250.db2.gz LUPMUNXEYRKQEQ-SJLPKXTDSA-N 2 2 307.401 3.015 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883433746 626681387 /nfs/dbraw/zinc/68/13/87/626681387.db2.gz YCYYSWUNBBSHRP-HYVNUMGLSA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883433746 626681391 /nfs/dbraw/zinc/68/13/91/626681391.db2.gz YCYYSWUNBBSHRP-HYVNUMGLSA-N 2 2 320.452 3.146 20 0 DGADLP COc1cc(C)[nH+]c(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809739106 626944473 /nfs/dbraw/zinc/94/44/73/626944473.db2.gz XOGFHGFCBOBXQR-UHFFFAOYSA-N 2 2 313.445 3.092 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc3ccccc3[nH]2)cc1 ZINC000809739110 626944498 /nfs/dbraw/zinc/94/44/98/626944498.db2.gz XQTSMZIPUSYPEV-UHFFFAOYSA-N 2 2 308.429 3.257 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3[nH]2)cc1 ZINC000809739110 626944501 /nfs/dbraw/zinc/94/45/01/626944501.db2.gz XQTSMZIPUSYPEV-UHFFFAOYSA-N 2 2 308.429 3.257 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCO2 ZINC000810255256 626994170 /nfs/dbraw/zinc/99/41/70/626994170.db2.gz YLEPAJMRLXOYME-HOTGVXAUSA-N 2 2 311.429 3.333 20 0 DGADLP Clc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)nc1 ZINC000885916360 627059505 /nfs/dbraw/zinc/05/95/05/627059505.db2.gz XVPWIRIODFULHF-UHFFFAOYSA-N 2 2 315.848 3.273 20 0 DGADLP Clc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)nc1 ZINC000885916360 627059506 /nfs/dbraw/zinc/05/95/06/627059506.db2.gz XVPWIRIODFULHF-UHFFFAOYSA-N 2 2 315.848 3.273 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000886070323 627098329 /nfs/dbraw/zinc/09/83/29/627098329.db2.gz QLBPSJQNVWUPOQ-FUHWJXTLSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000886070323 627098331 /nfs/dbraw/zinc/09/83/31/627098331.db2.gz QLBPSJQNVWUPOQ-FUHWJXTLSA-N 2 2 313.445 3.442 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000886601715 627171177 /nfs/dbraw/zinc/17/11/77/627171177.db2.gz ZZTBQGQMGQLBFG-SYYJFZTOSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000886601715 627171181 /nfs/dbraw/zinc/17/11/81/627171181.db2.gz ZZTBQGQMGQLBFG-SYYJFZTOSA-N 3 2 319.537 3.390 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000886652101 627181407 /nfs/dbraw/zinc/18/14/07/627181407.db2.gz ZWTZDBRSMCRSPQ-QZTJIDSGSA-N 2 2 304.397 3.297 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)s1 ZINC000886662829 627183826 /nfs/dbraw/zinc/18/38/26/627183826.db2.gz MUYHNWYAMHCGBV-LLVKDONJSA-N 2 2 305.451 3.127 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cn4cc(C)ccc4n3)CC2)[nH+]c1C ZINC000886667616 627184848 /nfs/dbraw/zinc/18/48/48/627184848.db2.gz DSAQXDDVIWVPHJ-UHFFFAOYSA-N 2 2 323.444 3.362 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822175 627208605 /nfs/dbraw/zinc/20/86/05/627208605.db2.gz NAODBDLYIKCHDK-PKOBYXMFSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822175 627208608 /nfs/dbraw/zinc/20/86/08/627208608.db2.gz NAODBDLYIKCHDK-PKOBYXMFSA-N 2 2 311.429 3.182 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Br)n1 ZINC000924526767 627644487 /nfs/dbraw/zinc/64/44/87/627644487.db2.gz MEVKALBIJKHVTE-LLVKDONJSA-N 2 2 314.271 3.083 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924588762 627653127 /nfs/dbraw/zinc/65/31/27/627653127.db2.gz HXEODDHLQUFCAA-VQTJNVASSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924588762 627653131 /nfs/dbraw/zinc/65/31/31/627653131.db2.gz HXEODDHLQUFCAA-VQTJNVASSA-N 2 2 324.472 3.038 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924629511 627659780 /nfs/dbraw/zinc/65/97/80/627659780.db2.gz SWZUCIZYKNHWGB-MRXNPFEDSA-N 2 2 307.869 3.432 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)n1 ZINC000924697448 627669490 /nfs/dbraw/zinc/66/94/90/627669490.db2.gz TVPWFUJGEYSITI-YNEHKIRRSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)n1 ZINC000924697448 627669492 /nfs/dbraw/zinc/66/94/92/627669492.db2.gz TVPWFUJGEYSITI-YNEHKIRRSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616210 627691097 /nfs/dbraw/zinc/69/10/97/627691097.db2.gz JABDIQQLUHBKHN-KDOFPFPSSA-N 2 2 322.518 3.294 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616210 627691100 /nfs/dbraw/zinc/69/11/00/627691100.db2.gz JABDIQQLUHBKHN-KDOFPFPSSA-N 2 2 322.518 3.294 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCOC23CCCCC3)[nH+]c1 ZINC000924925010 627693928 /nfs/dbraw/zinc/69/39/28/627693928.db2.gz FANLPWYJKWAMTP-MRXNPFEDSA-N 2 2 303.450 3.355 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000925008682 627700375 /nfs/dbraw/zinc/70/03/75/627700375.db2.gz DOWOTTOQBBWINW-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccn2)c1 ZINC000925008682 627700376 /nfs/dbraw/zinc/70/03/76/627700376.db2.gz DOWOTTOQBBWINW-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1Cc1ccccc1 ZINC000925172059 627715840 /nfs/dbraw/zinc/71/58/40/627715840.db2.gz QZMVEYGYGAVVOS-BHIYHBOVSA-N 2 2 324.472 3.013 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[nH+]c1 ZINC000925477048 627740767 /nfs/dbraw/zinc/74/07/67/627740767.db2.gz KVWAIJPPPNPRIY-QZTJIDSGSA-N 3 2 316.493 3.032 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)OCCO2 ZINC000925512140 627745074 /nfs/dbraw/zinc/74/50/74/627745074.db2.gz ZXQRQSNFINDSJH-MSOLQXFVSA-N 2 2 316.445 3.029 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000925522465 627747048 /nfs/dbraw/zinc/74/70/48/627747048.db2.gz ZSEKAIYFNLKLNG-OAHLLOKOSA-N 2 2 301.459 3.083 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@H](c3ccccc3)[C@H](C)[NH3+])nc21 ZINC000925525952 627747477 /nfs/dbraw/zinc/74/74/77/627747477.db2.gz GQUOYDNABCCAPB-LIRRHRJNSA-N 2 2 309.413 3.357 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC(C)C ZINC000925537751 627749981 /nfs/dbraw/zinc/74/99/81/627749981.db2.gz MGFHEORVMWITGW-RDTXWAMCSA-N 2 2 318.461 3.418 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000925561962 627754549 /nfs/dbraw/zinc/75/45/49/627754549.db2.gz ULDTVHGFCWCENY-KBXCAEBGSA-N 2 2 318.461 3.419 20 0 DGADLP c1sc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1C1CC1 ZINC000925582456 627758827 /nfs/dbraw/zinc/75/88/27/627758827.db2.gz FJGZEIMPMDBXHB-GJZGRUSLSA-N 2 2 305.491 3.278 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccnnc2)c(C)c1 ZINC000925591685 627760071 /nfs/dbraw/zinc/76/00/71/627760071.db2.gz COFGPINBOLXDJG-VQIMIIECSA-N 2 2 321.428 3.382 20 0 DGADLP CCc1nc2cc(C[NH2+][C@H]3CC[NH2+]C3(C)C)ccc2n1C1CC1 ZINC000925666193 627773527 /nfs/dbraw/zinc/77/35/27/627773527.db2.gz OTKBJTGPAIRYKB-KRWDZBQOSA-N 2 2 312.461 3.164 20 0 DGADLP Fc1ccc2c(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)noc2c1 ZINC000925729383 627783144 /nfs/dbraw/zinc/78/31/44/627783144.db2.gz PLODFZHZLUEZOQ-HOTGVXAUSA-N 2 2 317.408 3.225 20 0 DGADLP [NH3+][C@@H]1C[C@@H](N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000925770285 627791978 /nfs/dbraw/zinc/79/19/78/627791978.db2.gz IUAFNNHDCOHNPQ-AQNXPRMDSA-N 2 2 318.424 3.359 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CCC2 ZINC000925792348 627796180 /nfs/dbraw/zinc/79/61/80/627796180.db2.gz AVASLOAKDNEKRL-PKOBYXMFSA-N 2 2 314.473 3.121 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925794726 627796774 /nfs/dbraw/zinc/79/67/74/627796774.db2.gz IOVJRHATDKNFJV-ROUUACIJSA-N 2 2 318.436 3.025 20 0 DGADLP CCC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925799451 627797061 /nfs/dbraw/zinc/79/70/61/627797061.db2.gz YVQHZOAOLZQHIY-QZTJIDSGSA-N 2 2 302.462 3.276 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccnn1-c1ccccc1)c1ccccc1 ZINC000925805064 627797778 /nfs/dbraw/zinc/79/77/78/627797778.db2.gz QATMLPUHINOJAS-JXFKEZNVSA-N 2 2 320.440 3.093 20 0 DGADLP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1nc2c(s1)CCCC2 ZINC000925833031 627802174 /nfs/dbraw/zinc/80/21/74/627802174.db2.gz QAXOVBZIZSXYDV-GJZGRUSLSA-N 2 2 319.518 3.280 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000926119656 627846913 /nfs/dbraw/zinc/84/69/13/627846913.db2.gz OLLYXTGIUXVVTC-JYJNAYRXSA-N 2 2 319.497 3.163 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119656 627846918 /nfs/dbraw/zinc/84/69/18/627846918.db2.gz OLLYXTGIUXVVTC-JYJNAYRXSA-N 2 2 319.497 3.163 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ncccc1Cl ZINC000926231293 627867190 /nfs/dbraw/zinc/86/71/90/627867190.db2.gz ZFSWPWRAGGZBDM-OCCSQVGLSA-N 2 2 304.825 3.377 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(-c2ccccc2)no1 ZINC000926450774 627897859 /nfs/dbraw/zinc/89/78/59/627897859.db2.gz QVOQVIZHISXTIP-OCCSQVGLSA-N 2 2 308.385 3.273 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1csc2ccccc21 ZINC000926503269 627905947 /nfs/dbraw/zinc/90/59/47/627905947.db2.gz KWEBENZKEBZZQU-GJZGRUSLSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1csc2ccccc21 ZINC000926503269 627905950 /nfs/dbraw/zinc/90/59/50/627905950.db2.gz KWEBENZKEBZZQU-GJZGRUSLSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@H]1COC[C@H](C)C1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000926518259 627907994 /nfs/dbraw/zinc/90/79/94/627907994.db2.gz JVPMMFBUHIDEBI-IRXDYDNUSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]1COC[C@H](C)C1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000926518259 627907998 /nfs/dbraw/zinc/90/79/98/627907998.db2.gz JVPMMFBUHIDEBI-IRXDYDNUSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cccc(C[NH+](C)C)c1 ZINC000926571052 627915681 /nfs/dbraw/zinc/91/56/81/627915681.db2.gz PKOACONKVZAKLO-ZDUSSCGKSA-N 2 2 315.465 3.015 20 0 DGADLP c1ccc2c(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000926690711 627933199 /nfs/dbraw/zinc/93/31/99/627933199.db2.gz UIDLPPHIAMETEM-PMACEKPBSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2c(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000926690711 627933201 /nfs/dbraw/zinc/93/32/01/627933201.db2.gz UIDLPPHIAMETEM-PMACEKPBSA-N 2 2 309.457 3.384 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714812 627938581 /nfs/dbraw/zinc/93/85/81/627938581.db2.gz HTIGIOUFAOOIJH-NHCUHLMSSA-N 2 2 323.484 3.309 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714812 627938585 /nfs/dbraw/zinc/93/85/85/627938585.db2.gz HTIGIOUFAOOIJH-NHCUHLMSSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2[nH]1 ZINC000926719974 627939979 /nfs/dbraw/zinc/93/99/79/627939979.db2.gz ZYIKQIKWWIGMNE-YOEHRIQHSA-N 2 2 313.445 3.072 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000926753165 627946746 /nfs/dbraw/zinc/94/67/46/627946746.db2.gz FQFBZIIDHJIJIC-BBRMVZONSA-N 2 2 308.853 3.233 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000926753165 627946749 /nfs/dbraw/zinc/94/67/49/627946749.db2.gz FQFBZIIDHJIJIC-BBRMVZONSA-N 2 2 308.853 3.233 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000817892738 627953595 /nfs/dbraw/zinc/95/35/95/627953595.db2.gz BXGZIDMYKLULDO-SOUVJXGZSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817894905 627954245 /nfs/dbraw/zinc/95/42/45/627954245.db2.gz SIRNPTTWCQUUFK-WBAXXEDZSA-N 2 2 304.478 3.138 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817894901 627954263 /nfs/dbraw/zinc/95/42/63/627954263.db2.gz SIRNPTTWCQUUFK-JCGIZDLHSA-N 2 2 304.478 3.138 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](SC)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817901194 627956409 /nfs/dbraw/zinc/95/64/09/627956409.db2.gz UUGLRTDHQBXNAU-UBDQQSCGSA-N 2 2 320.502 3.362 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817906048 627958741 /nfs/dbraw/zinc/95/87/41/627958741.db2.gz SHNFIQDFBHOMAY-ZLKJLUDKSA-N 2 2 317.260 3.147 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000817953336 627972985 /nfs/dbraw/zinc/97/29/85/627972985.db2.gz KRDGSFXJUNGLTB-GOSISDBHSA-N 2 2 318.461 3.085 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000817952886 627973562 /nfs/dbraw/zinc/97/35/62/627973562.db2.gz IPRGVXWBVDFODO-JTQLQIEISA-N 2 2 318.234 3.022 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817967020 627977913 /nfs/dbraw/zinc/97/79/13/627977913.db2.gz CIVBWVOAKHDKIU-ZDMBXUJBSA-N 2 2 302.249 3.224 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817983742 627983034 /nfs/dbraw/zinc/98/30/34/627983034.db2.gz JTARVMKQDHOLLR-GXSJLCMTSA-N 2 2 302.249 3.368 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(SC)c(F)c1)C[NH+](C)C ZINC000926962849 627990952 /nfs/dbraw/zinc/99/09/52/627990952.db2.gz NXXZSRIYBBQGFQ-JSGCOSHPSA-N 2 2 314.470 3.165 20 0 DGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@H]2C1 ZINC000818329919 628013709 /nfs/dbraw/zinc/01/37/09/628013709.db2.gz ILDBVGPNBSFBNL-BPKGMFCQSA-N 2 2 305.466 3.091 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000927105712 628015641 /nfs/dbraw/zinc/01/56/41/628015641.db2.gz GPHABSRIDOWINW-FXAWDEMLSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000927105712 628015646 /nfs/dbraw/zinc/01/56/46/628015646.db2.gz GPHABSRIDOWINW-FXAWDEMLSA-N 2 2 316.489 3.159 20 0 DGADLP c1ccc(N2CCC([NH2+]CC[C@@H]3CCC4(CCC4)O3)CC2)[nH+]c1 ZINC000927127484 628022288 /nfs/dbraw/zinc/02/22/88/628022288.db2.gz HSVLQJFACGVVHK-KRWDZBQOSA-N 2 2 315.461 3.132 20 0 DGADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000819059645 628084286 /nfs/dbraw/zinc/08/42/86/628084286.db2.gz ZJZYKOHFTCPHKL-IBGZPJMESA-N 2 2 309.413 3.140 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c[nH+]1 ZINC000820808421 628299006 /nfs/dbraw/zinc/29/90/06/628299006.db2.gz FKJCQSCDHOIBIM-JLYLLQBASA-N 3 2 322.456 3.120 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c[nH+]1 ZINC000820808421 628299007 /nfs/dbraw/zinc/29/90/07/628299007.db2.gz FKJCQSCDHOIBIM-JLYLLQBASA-N 3 2 322.456 3.120 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CCc1ccccc1)CC[NH+](C)C ZINC000822481173 628456452 /nfs/dbraw/zinc/45/64/52/628456452.db2.gz LMXPJWUWYWBPBP-UHFFFAOYSA-N 2 2 314.477 3.070 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000826795843 628888123 /nfs/dbraw/zinc/88/81/23/628888123.db2.gz DWUNMGMNKUEPBF-VHBXLISGSA-N 2 2 316.489 3.302 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000826795843 628888128 /nfs/dbraw/zinc/88/81/28/628888128.db2.gz DWUNMGMNKUEPBF-VHBXLISGSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CCCCC[NH3+])c2)[nH+]c1C ZINC000827600418 628975583 /nfs/dbraw/zinc/97/55/83/628975583.db2.gz MTVPBCGIYZRINQ-UHFFFAOYSA-N 2 2 300.406 3.151 20 0 DGADLP CCc1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc[nH+]1 ZINC000827685241 628982908 /nfs/dbraw/zinc/98/29/08/628982908.db2.gz KHDJLKYHFUWYPG-UHFFFAOYSA-N 2 2 324.472 3.213 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000831982073 629433468 /nfs/dbraw/zinc/43/34/68/629433468.db2.gz RWPWPFZXIOBEAM-ZWKOTPCHSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000831982073 629433472 /nfs/dbraw/zinc/43/34/72/629433472.db2.gz RWPWPFZXIOBEAM-ZWKOTPCHSA-N 2 2 322.880 3.324 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843058114 630610115 /nfs/dbraw/zinc/61/01/15/630610115.db2.gz PQGJYZNDWKHELB-OCCSQVGLSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843058114 630610116 /nfs/dbraw/zinc/61/01/16/630610116.db2.gz PQGJYZNDWKHELB-OCCSQVGLSA-N 2 2 318.852 3.003 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3cnccc3c2)C[C@H]1c1ccccc1 ZINC000843115722 630615008 /nfs/dbraw/zinc/61/50/08/630615008.db2.gz QCPYQWKBIVNABS-VQTJNVASSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1c1ccccc1 ZINC000843115722 630615010 /nfs/dbraw/zinc/61/50/10/630615010.db2.gz QCPYQWKBIVNABS-VQTJNVASSA-N 2 2 303.409 3.162 20 0 DGADLP CC[NH+](CC)[C@H](c1nc([C@@H]([NH3+])C(C)C)no1)c1ccccc1 ZINC000843155665 630622323 /nfs/dbraw/zinc/62/23/23/630622323.db2.gz WZCVVFKVKJQSBW-GJZGRUSLSA-N 2 2 302.422 3.157 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843353898 630648706 /nfs/dbraw/zinc/64/87/06/630648706.db2.gz QFMUBTHVWPCWID-UXLLHSPISA-N 2 2 317.477 3.198 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843353898 630648710 /nfs/dbraw/zinc/64/87/10/630648710.db2.gz QFMUBTHVWPCWID-UXLLHSPISA-N 2 2 317.477 3.198 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000843357350 630649331 /nfs/dbraw/zinc/64/93/31/630649331.db2.gz GVQBDEBHRUCXRL-GJZGRUSLSA-N 2 2 311.429 3.279 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000843357350 630649335 /nfs/dbraw/zinc/64/93/35/630649335.db2.gz GVQBDEBHRUCXRL-GJZGRUSLSA-N 2 2 311.429 3.279 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)c2)[nH+]c1C ZINC000846674306 631284074 /nfs/dbraw/zinc/28/40/74/631284074.db2.gz WOOCMVPGTHUQLD-DLBZAZTESA-N 2 2 324.428 3.163 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000846805547 631311719 /nfs/dbraw/zinc/31/17/19/631311719.db2.gz YNJKBNITEAUVDX-QGZVFWFLSA-N 2 2 305.372 3.468 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000846805547 631311720 /nfs/dbraw/zinc/31/17/20/631311720.db2.gz YNJKBNITEAUVDX-QGZVFWFLSA-N 2 2 305.372 3.468 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCCn3ccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000848549780 631688524 /nfs/dbraw/zinc/68/85/24/631688524.db2.gz UEQSVXJNSHSDJB-UYAOXDASSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@]1(C[NH2+][C@@H]2CCCn3ccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549780 631688529 /nfs/dbraw/zinc/68/85/29/631688529.db2.gz UEQSVXJNSHSDJB-UYAOXDASSA-N 2 2 324.472 3.220 20 0 DGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])Nc1ccccc1)c1ccco1 ZINC000849023442 631810002 /nfs/dbraw/zinc/81/00/02/631810002.db2.gz UXYFCRNCWQLTHY-DZGCQCFKSA-N 2 2 300.406 3.345 20 0 DGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])N1CCCCCC1)c1ccco1 ZINC000849027016 631811639 /nfs/dbraw/zinc/81/16/39/631811639.db2.gz VIAALNJKMKNBMM-HUUCEWRRSA-N 2 2 306.454 3.109 20 0 DGADLP CC1CCN(C(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000849088956 631833075 /nfs/dbraw/zinc/83/30/75/631833075.db2.gz BEGBPWSPHYCQSO-INIZCTEOSA-N 2 2 322.884 3.199 20 0 DGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000850455523 632157974 /nfs/dbraw/zinc/15/79/74/632157974.db2.gz KHEDGZVFOPXSDN-HNNXBMFYSA-N 2 2 305.491 3.136 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@@H](OC)C1 ZINC000851791870 632494068 /nfs/dbraw/zinc/49/40/68/632494068.db2.gz FNKRMNQJKIFDTD-ZWKOTPCHSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@@H](OC)C1 ZINC000851791870 632494073 /nfs/dbraw/zinc/49/40/73/632494073.db2.gz FNKRMNQJKIFDTD-ZWKOTPCHSA-N 2 2 317.477 3.187 20 0 DGADLP CCC[NH+]1CCC([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000997235029 660315959 /nfs/dbraw/zinc/31/59/59/660315959.db2.gz MQIJSXZRQZXXEJ-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000997692586 660339152 /nfs/dbraw/zinc/33/91/52/660339152.db2.gz VFAIPPDXFRXUAU-HNNXBMFYSA-N 2 2 317.477 3.246 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC000999759236 660426469 /nfs/dbraw/zinc/42/64/69/660426469.db2.gz AVCMRGCYKXHXRA-QGZVFWFLSA-N 2 2 315.461 3.001 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCSCC1 ZINC000187080583 660948529 /nfs/dbraw/zinc/94/85/29/660948529.db2.gz MOLGCYBGLYPKSO-AWEZNQCLSA-N 2 2 301.459 3.494 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC000969408676 655544234 /nfs/dbraw/zinc/54/42/34/655544234.db2.gz RUTYLVRHUKEGGC-QGZVFWFLSA-N 2 2 315.461 3.001 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261634474 655657796 /nfs/dbraw/zinc/65/77/96/655657796.db2.gz IAJDOJZDPCCJPU-OCCSQVGLSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261634474 655657797 /nfs/dbraw/zinc/65/77/97/655657797.db2.gz IAJDOJZDPCCJPU-OCCSQVGLSA-N 2 2 316.392 3.482 20 0 DGADLP C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000892750085 656035105 /nfs/dbraw/zinc/03/51/05/656035105.db2.gz SZGSJOJKYBZAPD-DZGCQCFKSA-N 2 2 320.234 3.135 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000261841323 657130466 /nfs/dbraw/zinc/13/04/66/657130466.db2.gz ISGDIOLLYDKCAN-NXXSPTCGSA-N 2 2 309.413 3.440 20 0 DGADLP COc1ccc(F)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319874740 657269762 /nfs/dbraw/zinc/26/97/62/657269762.db2.gz IHOHXFIVJNCERB-INIZCTEOSA-N 2 2 305.397 3.235 20 0 DGADLP CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001050265940 657280740 /nfs/dbraw/zinc/28/07/40/657280740.db2.gz WYNIGVDTNHABPY-ZDUSSCGKSA-N 2 2 322.412 3.163 20 0 DGADLP C[C@H](C[NH2+]Cc1csc(-c2ccsc2)n1)Cn1cc[nH+]c1 ZINC000067500371 657586074 /nfs/dbraw/zinc/58/60/74/657586074.db2.gz GPWHVUIEZJVRIC-GFCCVEGCSA-N 2 2 318.471 3.494 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]C(C)C)c(C)[nH+]1 ZINC001037216163 657607446 /nfs/dbraw/zinc/60/74/46/657607446.db2.gz QFTVBIJMGVESGH-IRXDYDNUSA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000305114052 657682375 /nfs/dbraw/zinc/68/23/75/657682375.db2.gz DYEQZRLPOLUOMU-IBGZPJMESA-N 2 2 307.397 3.004 20 0 DGADLP C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305718921 657927697 /nfs/dbraw/zinc/92/76/97/657927697.db2.gz HUNFUCCOTDFSPQ-YOEHRIQHSA-N 2 2 311.385 3.067 20 0 DGADLP COCc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)ccc1OC ZINC000321077863 658053031 /nfs/dbraw/zinc/05/30/31/658053031.db2.gz BCVPOROLRDBXOE-OAHLLOKOSA-N 2 2 317.433 3.169 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420407032 658095716 /nfs/dbraw/zinc/09/57/16/658095716.db2.gz RRJBKVBIODQJJK-HXUWFJFHSA-N 2 2 310.441 3.437 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420407032 658095727 /nfs/dbraw/zinc/09/57/27/658095727.db2.gz RRJBKVBIODQJJK-HXUWFJFHSA-N 2 2 310.441 3.437 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(Br)c3)C[C@H]21 ZINC000228471349 659192432 /nfs/dbraw/zinc/19/24/32/659192432.db2.gz LJIUEFYJWWYHKT-QJPTWQEYSA-N 2 2 315.280 3.070 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(Br)c3)C[C@H]21 ZINC000228471349 659192436 /nfs/dbraw/zinc/19/24/36/659192436.db2.gz LJIUEFYJWWYHKT-QJPTWQEYSA-N 2 2 315.280 3.070 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778334 659577364 /nfs/dbraw/zinc/57/73/64/659577364.db2.gz GZQFVBASNJZMCB-SOUVJXGZSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778334 659577367 /nfs/dbraw/zinc/57/73/67/659577367.db2.gz GZQFVBASNJZMCB-SOUVJXGZSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778334 659577368 /nfs/dbraw/zinc/57/73/68/659577368.db2.gz GZQFVBASNJZMCB-SOUVJXGZSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778334 659577376 /nfs/dbraw/zinc/57/73/76/659577376.db2.gz GZQFVBASNJZMCB-SOUVJXGZSA-N 2 2 322.415 3.150 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000069626828 660010454 /nfs/dbraw/zinc/01/04/54/660010454.db2.gz YGDNWGCTERLURN-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000069626828 660010456 /nfs/dbraw/zinc/01/04/56/660010456.db2.gz YGDNWGCTERLURN-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP Cc1[nH]c(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000929754907 661334597 /nfs/dbraw/zinc/33/45/97/661334597.db2.gz IHILJHXEQYDFHZ-OAHLLOKOSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000929754907 661334599 /nfs/dbraw/zinc/33/45/99/661334599.db2.gz IHILJHXEQYDFHZ-OAHLLOKOSA-N 2 2 312.461 3.123 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929750508 661334828 /nfs/dbraw/zinc/33/48/28/661334828.db2.gz UYUYDARTUSGAMG-RRFJBIMHSA-N 2 2 322.415 3.150 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929750508 661334829 /nfs/dbraw/zinc/33/48/29/661334829.db2.gz UYUYDARTUSGAMG-RRFJBIMHSA-N 2 2 322.415 3.150 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000929803435 661340291 /nfs/dbraw/zinc/34/02/91/661340291.db2.gz HYNFMCFHHXFYJQ-ZIAGYGMSSA-N 2 2 317.355 3.020 20 0 DGADLP COc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1C ZINC000930130241 661369137 /nfs/dbraw/zinc/36/91/37/661369137.db2.gz ZOMZOHUUISVCAL-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP CC[C@@](O)(C[NH+]1CCC(CC)([NH+]2CCCC2)CC1)C(F)(F)F ZINC000931464378 661479190 /nfs/dbraw/zinc/47/91/90/661479190.db2.gz JBHGITYBNVBTLB-OAHLLOKOSA-N 2 2 322.415 3.030 20 0 DGADLP Cc1cc(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c2ccccc2n1 ZINC000931512815 661484201 /nfs/dbraw/zinc/48/42/01/661484201.db2.gz NQHAAIRQRXATTQ-UHFFFAOYSA-N 2 2 304.397 3.079 20 0 DGADLP Cc1cc(C[N@H+]2CCc3[nH+]ccc(N)c3C2)c2ccccc2n1 ZINC000931512815 661484203 /nfs/dbraw/zinc/48/42/03/661484203.db2.gz NQHAAIRQRXATTQ-UHFFFAOYSA-N 2 2 304.397 3.079 20 0 DGADLP CCC[N@H+](C[C@@H](O)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185579 661685415 /nfs/dbraw/zinc/68/54/15/661685415.db2.gz MQTVNFUBICUKNI-IBGZPJMESA-N 2 2 304.478 3.134 20 0 DGADLP CCC[N@@H+](C[C@@H](O)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185579 661685417 /nfs/dbraw/zinc/68/54/17/661685417.db2.gz MQTVNFUBICUKNI-IBGZPJMESA-N 2 2 304.478 3.134 20 0 DGADLP Cc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000380916990 685153613 /nfs/dbraw/zinc/15/36/13/685153613.db2.gz UBXVAKNKMVGZPS-FQEVSTJZSA-N 2 2 309.457 3.392 20 0 DGADLP Cc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000380916990 685153615 /nfs/dbraw/zinc/15/36/15/685153615.db2.gz UBXVAKNKMVGZPS-FQEVSTJZSA-N 2 2 309.457 3.392 20 0 DGADLP Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000381069418 685155187 /nfs/dbraw/zinc/15/51/87/685155187.db2.gz OLHOQGGVAULCTA-UHFFFAOYSA-N 2 2 314.404 3.286 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001072327258 686902718 /nfs/dbraw/zinc/90/27/18/686902718.db2.gz DSEGXYYOLYVGRR-DYVFJYSZSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]C(C)C)[C@H](C)C2)c(C)[nH+]1 ZINC001075306501 687364819 /nfs/dbraw/zinc/36/48/19/687364819.db2.gz XJUAGTKRTKZXEO-PBHICJAKSA-N 2 2 317.477 3.103 20 0 DGADLP CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001078685704 687703642 /nfs/dbraw/zinc/70/36/42/687703642.db2.gz QJWWOLNDAWLWSW-HZPDHXFCSA-N 2 2 315.461 3.047 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CCC[NH2+]C1 ZINC001576525855 1191837678 /nfs/dbraw/zinc/83/76/78/1191837678.db2.gz JJXKIYXCCKPHJD-KRWDZBQOSA-N 2 2 317.458 3.305 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001576650174 1191859519 /nfs/dbraw/zinc/85/95/19/1191859519.db2.gz JYVFWDULWIVTIZ-JHJVBQTASA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001576650174 1191859522 /nfs/dbraw/zinc/85/95/22/1191859522.db2.gz JYVFWDULWIVTIZ-JHJVBQTASA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC001576671219 1191860373 /nfs/dbraw/zinc/86/03/73/1191860373.db2.gz UTZGMVOEQMAENW-YZGWKJHDSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC001576671219 1191860375 /nfs/dbraw/zinc/86/03/75/1191860375.db2.gz UTZGMVOEQMAENW-YZGWKJHDSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccc(Cl)nc1Cl ZINC001576690290 1191862766 /nfs/dbraw/zinc/86/27/66/1191862766.db2.gz IUPVIJBJNCUHNF-IINYFYTJSA-N 2 2 302.249 3.386 20 0 DGADLP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC001577043493 1191881599 /nfs/dbraw/zinc/88/15/99/1191881599.db2.gz HPOZTYUJWROOLO-VBNZEHGJSA-N 2 2 312.404 3.103 20 0 DGADLP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC001577043493 1191881601 /nfs/dbraw/zinc/88/16/01/1191881601.db2.gz HPOZTYUJWROOLO-VBNZEHGJSA-N 2 2 312.404 3.103 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)[C@H]1Sc1ccccc1 ZINC001578149000 1191927764 /nfs/dbraw/zinc/92/77/64/1191927764.db2.gz QQFJJRHEZFDOIK-GCDKYVQMSA-N 2 2 320.502 3.055 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)[C@H]1Sc1ccccc1 ZINC001578148999 1191927938 /nfs/dbraw/zinc/92/79/38/1191927938.db2.gz QQFJJRHEZFDOIK-FZMABENVSA-N 2 2 320.502 3.055 20 0 DGADLP CCn1c2ccc(Cl)cc2[nH+]c1NC[C@@H]([NH3+])CC(F)(F)F ZINC001578342192 1191938879 /nfs/dbraw/zinc/93/88/79/1191938879.db2.gz FWOZVAJKGWJLLB-VIFPVBQESA-N 2 2 320.746 3.401 20 0 DGADLP COC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001578804872 1191957714 /nfs/dbraw/zinc/95/77/14/1191957714.db2.gz JWWQEQHIGFGAOO-KRWDZBQOSA-N 2 2 320.477 3.205 20 0 DGADLP COC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001578804872 1191957715 /nfs/dbraw/zinc/95/77/15/1191957715.db2.gz JWWQEQHIGFGAOO-KRWDZBQOSA-N 2 2 320.477 3.205 20 0 DGADLP COc1ccccc1[C@@H]([NH3+])CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001579303599 1191973269 /nfs/dbraw/zinc/97/32/69/1191973269.db2.gz YSCJQVKFTBADHQ-HNNXBMFYSA-N 2 2 312.417 3.173 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001579548522 1191979689 /nfs/dbraw/zinc/97/96/89/1191979689.db2.gz WJQSWUKZRUQQBW-XLIONFOSSA-N 3 2 324.472 3.145 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001579548522 1191979692 /nfs/dbraw/zinc/97/96/92/1191979692.db2.gz WJQSWUKZRUQQBW-XLIONFOSSA-N 3 2 324.472 3.145 20 0 DGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)c1C ZINC001579884303 1191997979 /nfs/dbraw/zinc/99/79/79/1191997979.db2.gz YXGDKNMICZMAAB-LZLYRXPVSA-N 2 2 310.445 3.289 20 0 DGADLP Clc1cnc(C[NH+]2CCC([C@H]3[NH2+]CC34CCC4)CC2)s1 ZINC001579938968 1192000217 /nfs/dbraw/zinc/00/02/17/1192000217.db2.gz PLIAVYGGEBLGOP-CQSZACIVSA-N 2 2 311.882 3.151 20 0 DGADLP Cn1c2ccc(F)cc2[nH+]c1NCc1cc2c(s1)CC[NH2+]C2 ZINC001579948739 1192000570 /nfs/dbraw/zinc/00/05/70/1192000570.db2.gz XQDIBDOSJCQHDA-UHFFFAOYSA-N 2 2 316.405 3.032 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001660805520 1196528020 /nfs/dbraw/zinc/52/80/20/1196528020.db2.gz XTPJUVVCRYNBFV-UHFFFAOYSA-N 2 2 316.367 3.393 20 0 DGADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254687 1192016133 /nfs/dbraw/zinc/01/61/33/1192016133.db2.gz YZKVIAHOKBRXBE-ZUZCIYMTSA-N 2 2 307.850 3.263 20 0 DGADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1cc2nc(Cl)ccc2s1 ZINC001580254687 1192016135 /nfs/dbraw/zinc/01/61/35/1192016135.db2.gz YZKVIAHOKBRXBE-ZUZCIYMTSA-N 2 2 307.850 3.263 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC001660893573 1196539628 /nfs/dbraw/zinc/53/96/28/1196539628.db2.gz KMAQWBMCNIAHJX-UHFFFAOYSA-N 2 2 304.265 3.396 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC001660893573 1196539631 /nfs/dbraw/zinc/53/96/31/1196539631.db2.gz KMAQWBMCNIAHJX-UHFFFAOYSA-N 2 2 304.265 3.396 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(C)[nH+]1 ZINC001588147250 1192435455 /nfs/dbraw/zinc/43/54/55/1192435455.db2.gz ZYYLKVVYVQNORL-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC001620871452 1192503079 /nfs/dbraw/zinc/50/30/79/1192503079.db2.gz AREWOVKRZNCQBB-SCTDSRPQSA-N 2 2 313.445 3.398 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)CC(C)(C)C[NH+](C)C)c(C)[nH+]1 ZINC001670648140 1176201539 /nfs/dbraw/zinc/20/15/39/1176201539.db2.gz BFHZYAKTHZRTFA-UHFFFAOYSA-N 2 2 306.454 3.058 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000378889634 1176748907 /nfs/dbraw/zinc/74/89/07/1176748907.db2.gz KKHCNXVDYBITOZ-SFHVURJKSA-N 2 2 323.444 3.273 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000309692748 1176749832 /nfs/dbraw/zinc/74/98/32/1176749832.db2.gz DIDFNNJLYUAEPQ-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000309692748 1176749839 /nfs/dbraw/zinc/74/98/39/1176749839.db2.gz DIDFNNJLYUAEPQ-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1C ZINC000395130902 1176785377 /nfs/dbraw/zinc/78/53/77/1176785377.db2.gz RLTYBDOORZHICP-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1C ZINC000395130902 1176785386 /nfs/dbraw/zinc/78/53/86/1176785386.db2.gz RLTYBDOORZHICP-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1C)[C@H]1CCC[NH2+]C1 ZINC000395142506 1176785719 /nfs/dbraw/zinc/78/57/19/1176785719.db2.gz ZIQBMWAIAKFSPL-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1C)[C@H]1CCC[NH2+]C1 ZINC000395142506 1176785731 /nfs/dbraw/zinc/78/57/31/1176785731.db2.gz ZIQBMWAIAKFSPL-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cn1c[nH+]cc1CN1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276145017 1177943273 /nfs/dbraw/zinc/94/32/73/1177943273.db2.gz PRFRWFSVQQFABR-IBGZPJMESA-N 2 2 316.493 3.041 20 0 DGADLP Cn1c[nH+]cc1CN1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276145017 1177943282 /nfs/dbraw/zinc/94/32/82/1177943282.db2.gz PRFRWFSVQQFABR-IBGZPJMESA-N 2 2 316.493 3.041 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001330981571 1178105591 /nfs/dbraw/zinc/10/55/91/1178105591.db2.gz IOVMPJDWEWRVFI-CVEARBPZSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2)[nH+]c1C ZINC001330983978 1178106506 /nfs/dbraw/zinc/10/65/06/1178106506.db2.gz UNTQGENWRXFFEV-HOTGVXAUSA-N 2 2 312.417 3.150 20 0 DGADLP CC[C@@]1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCC[NH2+]1 ZINC001332077705 1178354261 /nfs/dbraw/zinc/35/42/61/1178354261.db2.gz UBQYULXTGRWSGH-SFHVURJKSA-N 2 2 312.417 3.164 20 0 DGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC001332276177 1178410384 /nfs/dbraw/zinc/41/03/84/1178410384.db2.gz FCLVYDNOGBYGEP-APWZRJJASA-N 2 2 317.477 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001333320527 1178587378 /nfs/dbraw/zinc/58/73/78/1178587378.db2.gz OPTHOLGGJXMPCA-ROUUACIJSA-N 2 2 323.484 3.480 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001333320527 1178587382 /nfs/dbraw/zinc/58/73/82/1178587382.db2.gz OPTHOLGGJXMPCA-ROUUACIJSA-N 2 2 323.484 3.480 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001333320285 1178587893 /nfs/dbraw/zinc/58/78/93/1178587893.db2.gz OPTHOLGGJXMPCA-MSOLQXFVSA-N 2 2 323.484 3.480 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001333320285 1178587896 /nfs/dbraw/zinc/58/78/96/1178587896.db2.gz OPTHOLGGJXMPCA-MSOLQXFVSA-N 2 2 323.484 3.480 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)[nH+]c1C ZINC001333733128 1178663191 /nfs/dbraw/zinc/66/31/91/1178663191.db2.gz STCWHIGAHPRHNZ-AWEZNQCLSA-N 2 2 312.417 3.022 20 0 DGADLP COC1CCC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC001333807757 1178677510 /nfs/dbraw/zinc/67/75/10/1178677510.db2.gz FUKUGIJMRHYXPP-UHFFFAOYSA-N 2 2 303.450 3.163 20 0 DGADLP Cc1[nH+]ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1Br ZINC001334919272 1178828631 /nfs/dbraw/zinc/82/86/31/1178828631.db2.gz GEFLMNKVYMTVNM-GFCCVEGCSA-N 2 2 321.222 3.191 20 0 DGADLP CCc1ccccc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001343750753 1179326559 /nfs/dbraw/zinc/32/65/59/1179326559.db2.gz FEZAEQNEPDYPFN-UHFFFAOYSA-N 2 2 306.369 3.390 20 0 DGADLP CCCn1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC001621046127 1192957411 /nfs/dbraw/zinc/95/74/11/1192957411.db2.gz UKUANUQGFNPROM-LJQANCHMSA-N 2 2 323.444 3.329 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001350327486 1180053576 /nfs/dbraw/zinc/05/35/76/1180053576.db2.gz KSCJBHUHVMTKDR-GOSISDBHSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001350327486 1180053582 /nfs/dbraw/zinc/05/35/82/1180053582.db2.gz KSCJBHUHVMTKDR-GOSISDBHSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316067 1193002771 /nfs/dbraw/zinc/00/27/71/1193002771.db2.gz WZUHLEGBCZLUEG-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316067 1193002773 /nfs/dbraw/zinc/00/27/73/1193002773.db2.gz WZUHLEGBCZLUEG-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316067 1193002775 /nfs/dbraw/zinc/00/27/75/1193002775.db2.gz WZUHLEGBCZLUEG-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316067 1193002779 /nfs/dbraw/zinc/00/27/79/1193002779.db2.gz WZUHLEGBCZLUEG-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP COc1cc(C)c(C[NH2+]CCCCNc2cccc[nH+]2)c(C)n1 ZINC001200076317 1180363697 /nfs/dbraw/zinc/36/36/97/1180363697.db2.gz GHSPNHZFHQUTNO-UHFFFAOYSA-N 2 2 314.433 3.084 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)[nH+]c1C ZINC001353145775 1180474182 /nfs/dbraw/zinc/47/41/82/1180474182.db2.gz CGPGKLNRKMWNSI-OAHLLOKOSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1nc(NCC2([NH+](C)C)CCCCC2)c2c([nH+]1)CCCC2 ZINC001472637356 1180785419 /nfs/dbraw/zinc/78/54/19/1180785419.db2.gz ATCKKAFVSRLGOB-UHFFFAOYSA-N 2 2 302.466 3.340 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001354461335 1180801417 /nfs/dbraw/zinc/80/14/17/1180801417.db2.gz WTPXFHBRTWWCMV-IAGOWNOFSA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001354461335 1180801430 /nfs/dbraw/zinc/80/14/30/1180801430.db2.gz WTPXFHBRTWWCMV-IAGOWNOFSA-N 2 2 317.477 3.166 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001414059961 1181596314 /nfs/dbraw/zinc/59/63/14/1181596314.db2.gz OWWIWSUHWYPKDL-OAHLLOKOSA-N 2 2 314.433 3.118 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC001414059961 1181596317 /nfs/dbraw/zinc/59/63/17/1181596317.db2.gz OWWIWSUHWYPKDL-OAHLLOKOSA-N 2 2 314.433 3.118 20 0 DGADLP C[C@H](CC(=O)Nc1c[nH+]ccc1Nc1ccccc1)n1cc[nH+]c1 ZINC001452704309 1182299035 /nfs/dbraw/zinc/29/90/35/1182299035.db2.gz NUUVOFISVGKMSL-CQSZACIVSA-N 2 2 321.384 3.033 20 0 DGADLP Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(C2CCC2)[nH+]1 ZINC001458250962 1182508852 /nfs/dbraw/zinc/50/88/52/1182508852.db2.gz CTSLCMTVGLUTTB-OAHLLOKOSA-N 2 2 302.466 3.442 20 0 DGADLP Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc(C2CCC2)[nH+]1 ZINC001458250962 1182508857 /nfs/dbraw/zinc/50/88/57/1182508857.db2.gz CTSLCMTVGLUTTB-OAHLLOKOSA-N 2 2 302.466 3.442 20 0 DGADLP Cc1ncsc1CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001459879589 1182625644 /nfs/dbraw/zinc/62/56/44/1182625644.db2.gz FMXQEDJRGFUEAP-HNNXBMFYSA-N 2 2 318.490 3.072 20 0 DGADLP Cc1ncsc1CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001459879589 1182625647 /nfs/dbraw/zinc/62/56/47/1182625647.db2.gz FMXQEDJRGFUEAP-HNNXBMFYSA-N 2 2 318.490 3.072 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC001459904869 1182628137 /nfs/dbraw/zinc/62/81/37/1182628137.db2.gz XDRQAZMNGDUEMK-HOTGVXAUSA-N 2 2 324.472 3.031 20 0 DGADLP CC1(C)CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001459953568 1182634415 /nfs/dbraw/zinc/63/44/15/1182634415.db2.gz QAZAMTFSCGGFCO-LJQANCHMSA-N 2 2 315.505 3.367 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@]12CCOC2 ZINC001460959441 1182745435 /nfs/dbraw/zinc/74/54/35/1182745435.db2.gz NOKGOCUNTMMWBM-LJQANCHMSA-N 2 2 311.429 3.326 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@]12CCOC2 ZINC001460959441 1182745439 /nfs/dbraw/zinc/74/54/39/1182745439.db2.gz NOKGOCUNTMMWBM-LJQANCHMSA-N 2 2 311.429 3.326 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001460978306 1182750509 /nfs/dbraw/zinc/75/05/09/1182750509.db2.gz ZNRNJNCFWQPZEH-MRXNPFEDSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001460978306 1182750514 /nfs/dbraw/zinc/75/05/14/1182750514.db2.gz ZNRNJNCFWQPZEH-MRXNPFEDSA-N 2 2 313.449 3.116 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[NH+](C)C ZINC001460998387 1182753217 /nfs/dbraw/zinc/75/32/17/1182753217.db2.gz DUEQCQUZWSLQRL-OAHLLOKOSA-N 2 2 309.473 3.349 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2O1 ZINC001461084521 1182765012 /nfs/dbraw/zinc/76/50/12/1182765012.db2.gz APGXLHAJHDOAQB-KBXCAEBGSA-N 2 2 313.445 3.411 20 0 DGADLP Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001461198545 1182781181 /nfs/dbraw/zinc/78/11/81/1182781181.db2.gz XQQVWILTWWXCBD-GOSISDBHSA-N 2 2 319.412 3.138 20 0 DGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001461426345 1182813435 /nfs/dbraw/zinc/81/34/35/1182813435.db2.gz OQICHDVWBQQALN-CVEARBPZSA-N 2 2 312.461 3.077 20 0 DGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001461426345 1182813445 /nfs/dbraw/zinc/81/34/45/1182813445.db2.gz OQICHDVWBQQALN-CVEARBPZSA-N 2 2 312.461 3.077 20 0 DGADLP Cc1cnc([C@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC001462063821 1182903844 /nfs/dbraw/zinc/90/38/44/1182903844.db2.gz IULSVVHGGXKVEP-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)ccc1-n1cc[nH+]c1 ZINC001464831314 1183115565 /nfs/dbraw/zinc/11/55/65/1183115565.db2.gz RFDYKAMTOUCSGX-SFHVURJKSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)ccc1-n1cc[nH+]c1 ZINC001464831314 1183115566 /nfs/dbraw/zinc/11/55/66/1183115566.db2.gz RFDYKAMTOUCSGX-SFHVURJKSA-N 2 2 324.428 3.136 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@H]1C ZINC001472705242 1183669672 /nfs/dbraw/zinc/66/96/72/1183669672.db2.gz UJNXGBZTHCJOMK-ZBFHGGJFSA-N 2 2 302.466 3.362 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@H]1C ZINC001472705242 1183669678 /nfs/dbraw/zinc/66/96/78/1183669678.db2.gz UJNXGBZTHCJOMK-ZBFHGGJFSA-N 2 2 302.466 3.362 20 0 DGADLP Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473414190 1183755447 /nfs/dbraw/zinc/75/54/47/1183755447.db2.gz NVVNSCRDWWBLTJ-INIZCTEOSA-N 2 2 313.426 3.065 20 0 DGADLP CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001473483006 1183763277 /nfs/dbraw/zinc/76/32/77/1183763277.db2.gz JCTNSEBGLCRHPG-PKOBYXMFSA-N 2 2 313.445 3.474 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccnn1CC1CCC1)C1CCCCC1 ZINC001473910713 1183826369 /nfs/dbraw/zinc/82/63/69/1183826369.db2.gz ZUHSJEHWKRFMEJ-UHFFFAOYSA-N 2 2 318.509 3.427 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccnn1CC1CCC1)C1CCCCC1 ZINC001473910713 1183826376 /nfs/dbraw/zinc/82/63/76/1183826376.db2.gz ZUHSJEHWKRFMEJ-UHFFFAOYSA-N 2 2 318.509 3.427 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001473920340 1183826953 /nfs/dbraw/zinc/82/69/53/1183826953.db2.gz QCQJOWVPNCFEPN-ROUUACIJSA-N 2 2 318.505 3.474 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001473931283 1183831300 /nfs/dbraw/zinc/83/13/00/1183831300.db2.gz IXVGWKRYDRGMAA-NZSAHSFTSA-N 2 2 308.510 3.293 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001473931283 1183831303 /nfs/dbraw/zinc/83/13/03/1183831303.db2.gz IXVGWKRYDRGMAA-NZSAHSFTSA-N 2 2 308.510 3.293 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001473995169 1183845593 /nfs/dbraw/zinc/84/55/93/1183845593.db2.gz LFDRGQLRIVPBKC-OALUTQOASA-N 2 2 316.489 3.407 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001473995169 1183845599 /nfs/dbraw/zinc/84/55/99/1183845599.db2.gz LFDRGQLRIVPBKC-OALUTQOASA-N 2 2 316.489 3.407 20 0 DGADLP Oc1ccc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001473997000 1183847471 /nfs/dbraw/zinc/84/74/71/1183847471.db2.gz JKGYRNVFGXMIPQ-UHFFFAOYSA-N 2 2 307.397 3.300 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474108110 1183868790 /nfs/dbraw/zinc/86/87/90/1183868790.db2.gz GDLXWTUQKVMYEV-ZIAGYGMSSA-N 2 2 319.518 3.374 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001474108110 1183868797 /nfs/dbraw/zinc/86/87/97/1183868797.db2.gz GDLXWTUQKVMYEV-ZIAGYGMSSA-N 2 2 319.518 3.374 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)CC2 ZINC001474127788 1183871462 /nfs/dbraw/zinc/87/14/62/1183871462.db2.gz GGKYROVZNFMHOH-GOSISDBHSA-N 2 2 316.489 3.264 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)CC2 ZINC001474127788 1183871468 /nfs/dbraw/zinc/87/14/68/1183871468.db2.gz GGKYROVZNFMHOH-GOSISDBHSA-N 2 2 316.489 3.264 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001474221054 1183885539 /nfs/dbraw/zinc/88/55/39/1183885539.db2.gz YJNBRPVDDYWJSQ-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001474221054 1183885543 /nfs/dbraw/zinc/88/55/43/1183885543.db2.gz YJNBRPVDDYWJSQ-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465333 1183925843 /nfs/dbraw/zinc/92/58/43/1183925843.db2.gz NQLCCRWWFLBQOI-BEFAXECRSA-N 2 2 313.445 3.106 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465333 1183925844 /nfs/dbraw/zinc/92/58/44/1183925844.db2.gz NQLCCRWWFLBQOI-BEFAXECRSA-N 2 2 313.445 3.106 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC001474546700 1183938562 /nfs/dbraw/zinc/93/85/62/1183938562.db2.gz POQUHQHSVYGWCD-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC001474546700 1183938565 /nfs/dbraw/zinc/93/85/65/1183938565.db2.gz POQUHQHSVYGWCD-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC001474546700 1183938568 /nfs/dbraw/zinc/93/85/68/1183938568.db2.gz POQUHQHSVYGWCD-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC001474546700 1183938571 /nfs/dbraw/zinc/93/85/71/1183938571.db2.gz POQUHQHSVYGWCD-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(F)c1 ZINC001474647901 1183955936 /nfs/dbraw/zinc/95/59/36/1183955936.db2.gz WLXLEXJRNNQZSN-KDOFPFPSSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(F)c1 ZINC001474647901 1183955941 /nfs/dbraw/zinc/95/59/41/1183955941.db2.gz WLXLEXJRNNQZSN-KDOFPFPSSA-N 2 2 308.441 3.387 20 0 DGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001507086404 1186356693 /nfs/dbraw/zinc/35/66/93/1186356693.db2.gz FKYDVRDPHTXSRP-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CC[NH+](CC)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)CC(C)C ZINC001615883814 1193530487 /nfs/dbraw/zinc/53/04/87/1193530487.db2.gz GTZXMMMTBFRQSI-HNNXBMFYSA-N 2 2 316.449 3.049 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC001548835086 1188464293 /nfs/dbraw/zinc/46/42/93/1188464293.db2.gz FFKKYIRKDIXEPD-CYBMUJFWSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC001548835086 1188464294 /nfs/dbraw/zinc/46/42/94/1188464294.db2.gz FFKKYIRKDIXEPD-CYBMUJFWSA-N 2 2 324.350 3.214 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087366 1188492915 /nfs/dbraw/zinc/49/29/15/1188492915.db2.gz GGFZFACZGYXEIJ-DNVCBOLYSA-N 2 2 312.461 3.007 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087366 1188492917 /nfs/dbraw/zinc/49/29/17/1188492917.db2.gz GGFZFACZGYXEIJ-DNVCBOLYSA-N 2 2 312.461 3.007 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)cs2)o1 ZINC001549118123 1188497120 /nfs/dbraw/zinc/49/71/20/1188497120.db2.gz VWWJJFGVJFFEFU-SUMWQHHRSA-N 2 2 317.458 3.272 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@]4(C[NH3+])C3)cs2)o1 ZINC001549118123 1188497123 /nfs/dbraw/zinc/49/71/23/1188497123.db2.gz VWWJJFGVJFFEFU-SUMWQHHRSA-N 2 2 317.458 3.272 20 0 DGADLP CO[C@@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550749 1188526776 /nfs/dbraw/zinc/52/67/76/1188526776.db2.gz BDQZQMMUWBGHMB-CFRSGVNKSA-N 2 2 306.494 3.187 20 0 DGADLP CO[C@@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550749 1188526780 /nfs/dbraw/zinc/52/67/80/1188526780.db2.gz BDQZQMMUWBGHMB-CFRSGVNKSA-N 2 2 306.494 3.187 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549556519 1188527105 /nfs/dbraw/zinc/52/71/05/1188527105.db2.gz GNZRNWKVLANKHM-MSOLQXFVSA-N 2 2 323.440 3.290 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@]34CCC[C@H]3C[NH2+]C4)cc2)[nH+]c1C ZINC001550217974 1188594829 /nfs/dbraw/zinc/59/48/29/1188594829.db2.gz HUIRHUMVLTZISR-HNAYVOBHSA-N 2 2 324.428 3.022 20 0 DGADLP Clc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC001550474779 1188617213 /nfs/dbraw/zinc/61/72/13/1188617213.db2.gz CJFVVJUJLBOLAS-ULQDDVLXSA-N 2 2 320.864 3.434 20 0 DGADLP CC1([NH+]2CCOCC2)CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC001551210596 1188714626 /nfs/dbraw/zinc/71/46/26/1188714626.db2.gz UWUSCJDEZZGARH-UHFFFAOYSA-N 2 2 314.433 3.008 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC001551378586 1188732213 /nfs/dbraw/zinc/73/22/13/1188732213.db2.gz QZVWGBWEKXHFOH-DGGFBBCUSA-N 2 2 314.473 3.471 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC001551400543 1188738328 /nfs/dbraw/zinc/73/83/28/1188738328.db2.gz CCRBWHSPOWMSBG-WMZOPIPTSA-N 2 2 318.367 3.045 20 0 DGADLP Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(C)[nH+]1 ZINC001552307152 1188834910 /nfs/dbraw/zinc/83/49/10/1188834910.db2.gz XOCWHHLTJCXUDG-MOPGFXCFSA-N 2 2 323.440 3.008 20 0 DGADLP Cc1cc(CNC(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(C)[nH+]1 ZINC001552307152 1188834914 /nfs/dbraw/zinc/83/49/14/1188834914.db2.gz XOCWHHLTJCXUDG-MOPGFXCFSA-N 2 2 323.440 3.008 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001553864729 1188952637 /nfs/dbraw/zinc/95/26/37/1188952637.db2.gz WPPLGGGSLBWFHA-INIZCTEOSA-N 2 2 324.403 3.487 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001553864729 1188952640 /nfs/dbraw/zinc/95/26/40/1188952640.db2.gz WPPLGGGSLBWFHA-INIZCTEOSA-N 2 2 324.403 3.487 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC001553864481 1188952654 /nfs/dbraw/zinc/95/26/54/1188952654.db2.gz FFBMAVXTWMRREC-MRXNPFEDSA-N 2 2 308.429 3.291 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001553864481 1188952655 /nfs/dbraw/zinc/95/26/55/1188952655.db2.gz FFBMAVXTWMRREC-MRXNPFEDSA-N 2 2 308.429 3.291 20 0 DGADLP CCc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001559074760 1189168183 /nfs/dbraw/zinc/16/81/83/1189168183.db2.gz DVOMJISEGQYHNM-INIZCTEOSA-N 2 2 316.424 3.455 20 0 DGADLP C[NH+](C)CCCC(C)(C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC001559194731 1189179581 /nfs/dbraw/zinc/17/95/81/1189179581.db2.gz DHISHXRWPJAVAF-UHFFFAOYSA-N 2 2 318.469 3.114 20 0 DGADLP CCc1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc(CC)[nH+]1 ZINC001559238741 1189185416 /nfs/dbraw/zinc/18/54/16/1189185416.db2.gz VAELIJWAJICGEM-MRXNPFEDSA-N 2 2 302.466 3.420 20 0 DGADLP CCc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc(CC)[nH+]1 ZINC001559238741 1189185420 /nfs/dbraw/zinc/18/54/20/1189185420.db2.gz VAELIJWAJICGEM-MRXNPFEDSA-N 2 2 302.466 3.420 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001559524684 1189213151 /nfs/dbraw/zinc/21/31/51/1189213151.db2.gz MHRYJGPTYQPYOY-KSZLIROESA-N 2 2 324.509 3.162 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001559524684 1189213154 /nfs/dbraw/zinc/21/31/54/1189213154.db2.gz MHRYJGPTYQPYOY-KSZLIROESA-N 2 2 324.509 3.162 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[NH+]2C[C@@H](C)C[C@H](C)C2)C12CCCC2 ZINC001559819919 1189245411 /nfs/dbraw/zinc/24/54/11/1189245411.db2.gz DDYMFQPXUFZCQK-XLAORIBOSA-N 2 2 308.510 3.292 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001560235368 1189296317 /nfs/dbraw/zinc/29/63/17/1189296317.db2.gz IMXQADGZVAEETG-JTDSTZFVSA-N 2 2 317.477 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001560235368 1189296320 /nfs/dbraw/zinc/29/63/20/1189296320.db2.gz IMXQADGZVAEETG-JTDSTZFVSA-N 2 2 317.477 3.244 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001560245884 1189297825 /nfs/dbraw/zinc/29/78/25/1189297825.db2.gz WAJZXLRSJFRZQZ-QGZVFWFLSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001560245884 1189297827 /nfs/dbraw/zinc/29/78/27/1189297827.db2.gz WAJZXLRSJFRZQZ-QGZVFWFLSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001560245883 1189297837 /nfs/dbraw/zinc/29/78/37/1189297837.db2.gz WAJZXLRSJFRZQZ-KRWDZBQOSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001560245883 1189297838 /nfs/dbraw/zinc/29/78/38/1189297838.db2.gz WAJZXLRSJFRZQZ-KRWDZBQOSA-N 2 2 310.869 3.095 20 0 DGADLP CC(C)OCc1ccccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001560297847 1189307644 /nfs/dbraw/zinc/30/76/44/1189307644.db2.gz QEOIYSSBNYDJDM-UHFFFAOYSA-N 2 2 313.445 3.362 20 0 DGADLP CCOc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1OC ZINC001560364882 1189319088 /nfs/dbraw/zinc/31/90/88/1189319088.db2.gz BXGDXGQRTRQFNR-UHFFFAOYSA-N 2 2 315.417 3.081 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001560474833 1189332031 /nfs/dbraw/zinc/33/20/31/1189332031.db2.gz DHCUHVNUGNCMRE-IPMKNSEASA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[N@H+]1Cc1ccccc1 ZINC001560474833 1189332033 /nfs/dbraw/zinc/33/20/33/1189332033.db2.gz DHCUHVNUGNCMRE-IPMKNSEASA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001560474832 1189332301 /nfs/dbraw/zinc/33/23/01/1189332301.db2.gz DHCUHVNUGNCMRE-GBESFXJTSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[N@H+]1Cc1ccccc1 ZINC001560474832 1189332304 /nfs/dbraw/zinc/33/23/04/1189332304.db2.gz DHCUHVNUGNCMRE-GBESFXJTSA-N 2 2 316.489 3.180 20 0 DGADLP CCc1cccc2cc(C[NH2+][C@H](CO)CC[NH+](CC)CC)oc21 ZINC001560520678 1189335848 /nfs/dbraw/zinc/33/58/48/1189335848.db2.gz DKKSKCWAYDCILI-KRWDZBQOSA-N 2 2 318.461 3.178 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C2 ZINC001560806640 1189384416 /nfs/dbraw/zinc/38/44/16/1189384416.db2.gz XRXWBNXFLQYWCR-QFBILLFUSA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C2 ZINC001560806640 1189384419 /nfs/dbraw/zinc/38/44/19/1189384419.db2.gz XRXWBNXFLQYWCR-QFBILLFUSA-N 2 2 316.489 3.263 20 0 DGADLP CCC[NH2+][C@@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001567628445 1190229803 /nfs/dbraw/zinc/22/98/03/1190229803.db2.gz QNPVIXWBIHBHOD-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001569070297 1190616299 /nfs/dbraw/zinc/61/62/99/1190616299.db2.gz PZEFXRQFVXQWIC-HNNXBMFYSA-N 2 2 315.461 3.215 20 0 DGADLP CCC[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001570678862 1190916383 /nfs/dbraw/zinc/91/63/83/1190916383.db2.gz ALWSSFABROVEJK-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[C@@H]([NH2+]CCF)C(C)C)c(C)[nH+]1 ZINC001570777407 1190948283 /nfs/dbraw/zinc/94/82/83/1190948283.db2.gz OXNVTSYMCWBMAE-MRXNPFEDSA-N 2 2 323.456 3.053 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cnc(C4CC4)s3)cc2)c[nH+]1 ZINC001620758125 1191439837 /nfs/dbraw/zinc/43/98/37/1191439837.db2.gz WCTIPRNMQULKPM-UHFFFAOYSA-N 2 2 310.426 3.496 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001621433941 1193842334 /nfs/dbraw/zinc/84/23/34/1193842334.db2.gz FNOIYNPNTNOJMD-IHJVYAAUSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001621433941 1193842335 /nfs/dbraw/zinc/84/23/35/1193842335.db2.gz FNOIYNPNTNOJMD-IHJVYAAUSA-N 2 2 316.489 3.444 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001621487431 1193849625 /nfs/dbraw/zinc/84/96/25/1193849625.db2.gz XSHWZKJZTBLYFV-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001621487431 1193849628 /nfs/dbraw/zinc/84/96/28/1193849628.db2.gz XSHWZKJZTBLYFV-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001621570701 1193860551 /nfs/dbraw/zinc/86/05/51/1193860551.db2.gz AHBSIFDEOVBQCT-KDURUIRLSA-N 2 2 316.493 3.080 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001621570701 1193860553 /nfs/dbraw/zinc/86/05/53/1193860553.db2.gz AHBSIFDEOVBQCT-KDURUIRLSA-N 2 2 316.493 3.080 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001621570701 1193860554 /nfs/dbraw/zinc/86/05/54/1193860554.db2.gz AHBSIFDEOVBQCT-KDURUIRLSA-N 2 2 316.493 3.080 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001621570701 1193860556 /nfs/dbraw/zinc/86/05/56/1193860556.db2.gz AHBSIFDEOVBQCT-KDURUIRLSA-N 2 2 316.493 3.080 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H](C)CC[NH+](C)C)cc2)[nH+]c1C ZINC001636862294 1194637598 /nfs/dbraw/zinc/63/75/98/1194637598.db2.gz BDHBDMFXFSEGHO-GFCCVEGCSA-N 2 2 314.433 3.220 20 0 DGADLP CCOc1ccc(OCC[NH+]2CCC([NH+](CC)CC)CC2)cc1 ZINC000052049284 1194674541 /nfs/dbraw/zinc/67/45/41/1194674541.db2.gz XHQFTIHPFXRHJU-UHFFFAOYSA-N 2 2 320.477 3.270 20 0 DGADLP CCc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(CC)[nH+]1 ZINC001639151094 1194753011 /nfs/dbraw/zinc/75/30/11/1194753011.db2.gz RZHNHACRFNPALO-HNNXBMFYSA-N 2 2 314.433 3.443 20 0 DGADLP C[C@@H]1c2ccccc2C[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001643948084 1195066190 /nfs/dbraw/zinc/06/61/90/1195066190.db2.gz FWQMELJJYNQSAG-DYESRHJHSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@@H]1c2ccccc2C[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001643948084 1195066194 /nfs/dbraw/zinc/06/61/94/1195066194.db2.gz FWQMELJJYNQSAG-DYESRHJHSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@@H]1c2ccccc2C[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001643948084 1195066197 /nfs/dbraw/zinc/06/61/97/1195066197.db2.gz FWQMELJJYNQSAG-DYESRHJHSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@@H]1c2ccccc2C[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001643948084 1195066206 /nfs/dbraw/zinc/06/62/06/1195066206.db2.gz FWQMELJJYNQSAG-DYESRHJHSA-N 2 2 322.452 3.200 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001647032496 1195242077 /nfs/dbraw/zinc/24/20/77/1195242077.db2.gz BGNIBPAKVSCIIN-INIZCTEOSA-N 2 2 304.478 3.332 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@H+]2CCC[C@@H]2C)c1C ZINC001647032496 1195242081 /nfs/dbraw/zinc/24/20/81/1195242081.db2.gz BGNIBPAKVSCIIN-INIZCTEOSA-N 2 2 304.478 3.332 20 0 DGADLP Fc1ccccc1OCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001648744956 1195328166 /nfs/dbraw/zinc/32/81/66/1195328166.db2.gz DJIKJKNWFYNLPI-UHFFFAOYSA-N 2 2 311.360 3.180 20 0 DGADLP CCC(CC)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001648779984 1195331312 /nfs/dbraw/zinc/33/13/12/1195331312.db2.gz RDVCZUDOQUSXLC-UHFFFAOYSA-N 2 2 303.494 3.225 20 0 DGADLP CC[NH+]1CCC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001650615693 1195364855 /nfs/dbraw/zinc/36/48/55/1195364855.db2.gz OEPHSBMLCRCFAZ-UHFFFAOYSA-N 3 2 312.461 3.084 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cccc(F)c1OC(F)(F)F)[NH+](C)C ZINC001651380300 1195452136 /nfs/dbraw/zinc/45/21/36/1195452136.db2.gz QVNNBDCKDGTLFP-JTQLQIEISA-N 2 2 308.319 3.154 20 0 DGADLP CC[NH+](CC)CCN(CC(C)C)c1nc(C)[nH+]c2c1CCCC2 ZINC001651676656 1195494505 /nfs/dbraw/zinc/49/45/05/1195494505.db2.gz ZLSKTWIZDSIDFJ-UHFFFAOYSA-N 2 2 318.509 3.468 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)nc(C)[nH+]1 ZINC001652062811 1195542801 /nfs/dbraw/zinc/54/28/01/1195542801.db2.gz OKWRKQOBIVTERR-LJQANCHMSA-N 2 2 324.472 3.440 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)nc(C)[nH+]1 ZINC001652062811 1195542805 /nfs/dbraw/zinc/54/28/05/1195542805.db2.gz OKWRKQOBIVTERR-LJQANCHMSA-N 2 2 324.472 3.440 20 0 DGADLP C[C@]1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCCO1 ZINC001652391493 1195591252 /nfs/dbraw/zinc/59/12/52/1195591252.db2.gz LJJOCBXYHDZSKB-GOSISDBHSA-N 2 2 305.466 3.335 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)C3CCCCC3)CC2)c1 ZINC001652460351 1195599786 /nfs/dbraw/zinc/59/97/86/1195599786.db2.gz WTYLFBXRHWTBFO-INIZCTEOSA-N 2 2 317.477 3.429 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000067250324 1195613744 /nfs/dbraw/zinc/61/37/44/1195613744.db2.gz ABRSTRVCDVYVOR-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP Cn1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001653263286 1195704830 /nfs/dbraw/zinc/70/48/30/1195704830.db2.gz OZNCXLXDOLMDJF-MRXNPFEDSA-N 2 2 300.450 3.356 20 0 DGADLP Cn1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001653263286 1195704833 /nfs/dbraw/zinc/70/48/33/1195704833.db2.gz OZNCXLXDOLMDJF-MRXNPFEDSA-N 2 2 300.450 3.356 20 0 DGADLP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000069446411 1195794649 /nfs/dbraw/zinc/79/46/49/1195794649.db2.gz STVPLEZFGHRVCN-KRWDZBQOSA-N 2 2 312.417 3.075 20 0 DGADLP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000069446411 1195794653 /nfs/dbraw/zinc/79/46/53/1195794653.db2.gz STVPLEZFGHRVCN-KRWDZBQOSA-N 2 2 312.417 3.075 20 0 DGADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000069446406 1195794853 /nfs/dbraw/zinc/79/48/53/1195794853.db2.gz STVPLEZFGHRVCN-QGZVFWFLSA-N 2 2 312.417 3.075 20 0 DGADLP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000069446406 1195794859 /nfs/dbraw/zinc/79/48/59/1195794859.db2.gz STVPLEZFGHRVCN-QGZVFWFLSA-N 2 2 312.417 3.075 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC001655203968 1195890002 /nfs/dbraw/zinc/89/00/02/1195890002.db2.gz LJARYEOOIMVNHW-INIZCTEOSA-N 2 2 323.506 3.206 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001655259563 1195896603 /nfs/dbraw/zinc/89/66/03/1195896603.db2.gz OLFKBYDSQQXJFO-BHIYHBOVSA-N 2 2 308.510 3.436 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001655302377 1195901494 /nfs/dbraw/zinc/90/14/94/1195901494.db2.gz WXBJKHPLTOFKSN-CHWSQXEVSA-N 2 2 312.889 3.083 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001655322616 1195904072 /nfs/dbraw/zinc/90/40/72/1195904072.db2.gz DKZDBBZBVPNOBD-MRXNPFEDSA-N 2 2 314.477 3.439 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001655331200 1195904403 /nfs/dbraw/zinc/90/44/03/1195904403.db2.gz ZTNKXIALULMCOF-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001655331200 1195904405 /nfs/dbraw/zinc/90/44/05/1195904405.db2.gz ZTNKXIALULMCOF-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)[NH+]1CCC(C)CC1 ZINC001655454887 1195920215 /nfs/dbraw/zinc/92/02/15/1195920215.db2.gz XZQHOPKBVOAGKW-DLBZAZTESA-N 2 2 317.477 3.114 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001655717181 1195955168 /nfs/dbraw/zinc/95/51/68/1195955168.db2.gz ADEDVLICEIBQPZ-INIZCTEOSA-N 2 2 314.477 3.198 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001655717181 1195955173 /nfs/dbraw/zinc/95/51/73/1195955173.db2.gz ADEDVLICEIBQPZ-INIZCTEOSA-N 2 2 314.477 3.198 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001655887028 1195974341 /nfs/dbraw/zinc/97/43/41/1195974341.db2.gz WPIZABUUIDVFSQ-GOSISDBHSA-N 2 2 311.429 3.372 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2nsc3ccccc23)CC1 ZINC001655907501 1195976445 /nfs/dbraw/zinc/97/64/45/1195976445.db2.gz FNHZRRHOBABYGQ-UHFFFAOYSA-N 2 2 312.442 3.409 20 0 DGADLP C[C@@H]1CCCC[C@@H]1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001655947800 1195981044 /nfs/dbraw/zinc/98/10/44/1195981044.db2.gz PRDBLSJNTPQESU-JFIYKMOQSA-N 2 2 316.493 3.460 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC001656046733 1195991189 /nfs/dbraw/zinc/99/11/89/1195991189.db2.gz JEECFGKRARNKPE-RBUKOAKNSA-N 2 2 308.510 3.293 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001656645697 1196057331 /nfs/dbraw/zinc/05/73/31/1196057331.db2.gz YDMXYXNYMXCAIW-CABCVRRESA-N 2 2 300.450 3.190 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001656645697 1196057335 /nfs/dbraw/zinc/05/73/35/1196057335.db2.gz YDMXYXNYMXCAIW-CABCVRRESA-N 2 2 300.450 3.190 20 0 DGADLP CC[C@@H](C)C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001656692328 1196062562 /nfs/dbraw/zinc/06/25/62/1196062562.db2.gz RXMLSDQWPHXZOW-QGZVFWFLSA-N 2 2 303.494 3.143 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C2 ZINC001656908307 1196082087 /nfs/dbraw/zinc/08/20/87/1196082087.db2.gz FUUUHPYRASTVPS-AEFFLSMTSA-N 2 2 316.489 3.407 20 0 DGADLP CN(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000072659800 1196103378 /nfs/dbraw/zinc/10/33/78/1196103378.db2.gz KNNURTIRJLNKDD-FQEVSTJZSA-N 2 2 320.440 3.265 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001657386112 1196135849 /nfs/dbraw/zinc/13/58/49/1196135849.db2.gz LTSQNBHPWRUEJT-UHFFFAOYSA-N 2 2 316.445 3.412 20 0 DGADLP COc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1OC(C)C ZINC000073381114 1196155493 /nfs/dbraw/zinc/15/54/93/1196155493.db2.gz GIWWIZIPDPRUQV-UHFFFAOYSA-N 2 2 318.461 3.199 20 0 DGADLP CO[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC001657821844 1196180406 /nfs/dbraw/zinc/18/04/06/1196180406.db2.gz BLLQDXQBKNHBGD-SFHVURJKSA-N 2 2 304.478 3.302 20 0 DGADLP CO[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC001657821844 1196180409 /nfs/dbraw/zinc/18/04/09/1196180409.db2.gz BLLQDXQBKNHBGD-SFHVURJKSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(C)c(/C=C\C[N@@H+](CCO)C2CC[NH+](C)CC2)c(C)c1 ZINC001658201947 1196224844 /nfs/dbraw/zinc/22/48/44/1196224844.db2.gz KUEGYXQQIPDXQU-WAYWQWQTSA-N 2 2 316.489 3.014 20 0 DGADLP Cc1cc(C)c(/C=C\C[N@H+](CCO)C2CC[NH+](C)CC2)c(C)c1 ZINC001658201947 1196224847 /nfs/dbraw/zinc/22/48/47/1196224847.db2.gz KUEGYXQQIPDXQU-WAYWQWQTSA-N 2 2 316.489 3.014 20 0 DGADLP CC[C@@H]1CCC[C@@H](C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC001658932147 1196320877 /nfs/dbraw/zinc/32/08/77/1196320877.db2.gz WCVPPXMDSBHQCV-IAGOWNOFSA-N 2 2 317.477 3.429 20 0 DGADLP CC[C@H]1CCC[C@@H](C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC001658932146 1196321523 /nfs/dbraw/zinc/32/15/23/1196321523.db2.gz WCVPPXMDSBHQCV-DLBZAZTESA-N 2 2 317.477 3.429 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001659109972 1196345377 /nfs/dbraw/zinc/34/53/77/1196345377.db2.gz DIFMKHYKYWTJKB-NSHDSACASA-N 2 2 302.249 3.208 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001659109972 1196345382 /nfs/dbraw/zinc/34/53/82/1196345382.db2.gz DIFMKHYKYWTJKB-NSHDSACASA-N 2 2 302.249 3.208 20 0 DGADLP CCCn1c[nH+]cc1CN(CC[NH+](C)C)CC1CCCCC1 ZINC001659110401 1196345996 /nfs/dbraw/zinc/34/59/96/1196345996.db2.gz USVUFKCBKCGYHH-UHFFFAOYSA-N 2 2 306.498 3.237 20 0 DGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1CCC(C)(C)CC1 ZINC001659141693 1196351216 /nfs/dbraw/zinc/35/12/16/1196351216.db2.gz KVYRQGNDRBIVFD-UHFFFAOYSA-N 3 2 311.558 3.408 20 0 DGADLP Fc1cccc(F)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000075774189 1196419305 /nfs/dbraw/zinc/41/93/05/1196419305.db2.gz KETKEMWEIGULSY-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP COCC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC001659873125 1196424593 /nfs/dbraw/zinc/42/45/93/1196424593.db2.gz MAWHUPBTEQJOHT-UHFFFAOYSA-N 2 2 319.836 3.432 20 0 DGADLP CCC[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001660494905 1196491110 /nfs/dbraw/zinc/49/11/10/1196491110.db2.gz KQJKCIMJUNZJDY-IBGZPJMESA-N 2 2 302.462 3.283 20 0 DGADLP CCC[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001660494905 1196491113 /nfs/dbraw/zinc/49/11/13/1196491113.db2.gz KQJKCIMJUNZJDY-IBGZPJMESA-N 2 2 302.462 3.283 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001660673069 1196510938 /nfs/dbraw/zinc/51/09/38/1196510938.db2.gz ZMFPGXMVRHARHM-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP Cc1cccc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001660790408 1196525191 /nfs/dbraw/zinc/52/51/91/1196525191.db2.gz GUUVQBZHEKVSJR-UHFFFAOYSA-N 2 2 313.426 3.411 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3cc4cnccc4o3)c2)c[nH+]1 ZINC001660879528 1196538021 /nfs/dbraw/zinc/53/80/21/1196538021.db2.gz BVPVERIMLGWQSY-UHFFFAOYSA-N 2 2 318.380 3.362 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nn(C)cc2Cl)c1 ZINC001660965227 1196547631 /nfs/dbraw/zinc/54/76/31/1196547631.db2.gz FKEUUOIMMGMHGX-UHFFFAOYSA-N 2 2 320.868 3.205 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)[NH+]1CCCCC1 ZINC001661070651 1196561865 /nfs/dbraw/zinc/56/18/65/1196561865.db2.gz OSXHKQIROCWLAC-NZSAHSFTSA-N 2 2 308.510 3.436 20 0 DGADLP c1ccc(NCCCC[NH2+]Cc2nc3c(s2)CCCC3)[nH+]c1 ZINC001661284210 1196591627 /nfs/dbraw/zinc/59/16/27/1196591627.db2.gz WJGDVCIWGWRVGZ-UHFFFAOYSA-N 2 2 316.474 3.399 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)C(C)(C)C ZINC001661411684 1196603343 /nfs/dbraw/zinc/60/33/43/1196603343.db2.gz LJWLAFWUVQVYJD-OAHLLOKOSA-N 2 2 309.523 3.478 20 0 DGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001661557782 1196619484 /nfs/dbraw/zinc/61/94/84/1196619484.db2.gz HBUWXZPLOKDUKW-YJBOKZPZSA-N 2 2 300.490 3.500 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CCCC1 ZINC001662173945 1196690602 /nfs/dbraw/zinc/69/06/02/1196690602.db2.gz RTQBKJNGUMHJKN-UHFFFAOYSA-N 2 2 312.461 3.288 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001662511408 1196726948 /nfs/dbraw/zinc/72/69/48/1196726948.db2.gz BQXNJXKPBUCHAD-KURKYZTESA-N 2 2 310.526 3.418 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001662511408 1196726951 /nfs/dbraw/zinc/72/69/51/1196726951.db2.gz BQXNJXKPBUCHAD-KURKYZTESA-N 2 2 310.526 3.418 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@H]2C1 ZINC001663482853 1196883864 /nfs/dbraw/zinc/88/38/64/1196883864.db2.gz FPNRTWVTJVZVQV-TUKIKUTGSA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@H]2C1 ZINC001663482853 1196883870 /nfs/dbraw/zinc/88/38/70/1196883870.db2.gz FPNRTWVTJVZVQV-TUKIKUTGSA-N 2 2 319.499 3.301 20 0 DGADLP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102170 1197097747 /nfs/dbraw/zinc/09/77/47/1197097747.db2.gz NPNPUKHADNBLFG-ZWKOTPCHSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102170 1197097751 /nfs/dbraw/zinc/09/77/51/1197097751.db2.gz NPNPUKHADNBLFG-ZWKOTPCHSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)C[N@H+](Cc2ccccc2)C1 ZINC001665542157 1197149562 /nfs/dbraw/zinc/14/95/62/1197149562.db2.gz FTSLWQFIQFOXHC-WBVHZDCISA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)C[N@@H+](Cc2ccccc2)C1 ZINC001665542157 1197149564 /nfs/dbraw/zinc/14/95/64/1197149564.db2.gz FTSLWQFIQFOXHC-WBVHZDCISA-N 2 2 315.486 3.186 20 0 DGADLP C[C@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001665711951 1197180209 /nfs/dbraw/zinc/18/02/09/1197180209.db2.gz HPZXTCQZBZJAHD-ACAXCVFMSA-N 2 2 321.553 3.349 20 0 DGADLP C[C@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001665711951 1197180210 /nfs/dbraw/zinc/18/02/10/1197180210.db2.gz HPZXTCQZBZJAHD-ACAXCVFMSA-N 2 2 321.553 3.349 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC001665832660 1197203684 /nfs/dbraw/zinc/20/36/84/1197203684.db2.gz YRBLZEMSGOEJBO-YOEHRIQHSA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)c(C)c1OC ZINC001665832660 1197203689 /nfs/dbraw/zinc/20/36/89/1197203689.db2.gz YRBLZEMSGOEJBO-YOEHRIQHSA-N 2 2 320.477 3.017 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000379681515 1197703487 /nfs/dbraw/zinc/70/34/87/1197703487.db2.gz REJDAWGHDYUQJC-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000379681515 1197703490 /nfs/dbraw/zinc/70/34/90/1197703490.db2.gz REJDAWGHDYUQJC-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000380996820 1197705075 /nfs/dbraw/zinc/70/50/75/1197705075.db2.gz MUNBRXCAFHRVHL-KBXCAEBGSA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000380996820 1197705081 /nfs/dbraw/zinc/70/50/81/1197705081.db2.gz MUNBRXCAFHRVHL-KBXCAEBGSA-N 2 2 310.445 3.422 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817139 1197715676 /nfs/dbraw/zinc/71/56/76/1197715676.db2.gz FQEZNDNZYULYMK-RDTXWAMCSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817139 1197715681 /nfs/dbraw/zinc/71/56/81/1197715681.db2.gz FQEZNDNZYULYMK-RDTXWAMCSA-N 2 2 315.392 3.042 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394404170 1197721226 /nfs/dbraw/zinc/72/12/26/1197721226.db2.gz AVXCMVJXUZQRCG-KRWDZBQOSA-N 2 2 310.441 3.307 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394404170 1197721231 /nfs/dbraw/zinc/72/12/31/1197721231.db2.gz AVXCMVJXUZQRCG-KRWDZBQOSA-N 2 2 310.441 3.307 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093403313 1198686325 /nfs/dbraw/zinc/68/63/25/1198686325.db2.gz KRLSFTJAOYJJNB-UONOGXRCSA-N 2 2 307.507 3.404 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093403313 1198686335 /nfs/dbraw/zinc/68/63/35/1198686335.db2.gz KRLSFTJAOYJJNB-UONOGXRCSA-N 2 2 307.507 3.404 20 0 DGADLP CO[C@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000400208869 1199346513 /nfs/dbraw/zinc/34/65/13/1199346513.db2.gz JEXOAQQYPYOYJQ-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CO[C@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000400208869 1199346518 /nfs/dbraw/zinc/34/65/18/1199346518.db2.gz JEXOAQQYPYOYJQ-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112710335 1199651920 /nfs/dbraw/zinc/65/19/20/1199651920.db2.gz GYONBYRUSBGWND-NSHDSACASA-N 2 2 318.795 3.373 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC000112710335 1199651922 /nfs/dbraw/zinc/65/19/22/1199651922.db2.gz GYONBYRUSBGWND-NSHDSACASA-N 2 2 318.795 3.373 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CCc1ccc(Cl)cc1 ZINC000308538527 1199704470 /nfs/dbraw/zinc/70/44/70/1199704470.db2.gz SOKYDHWAQUZNHA-SFHVURJKSA-N 2 2 300.833 3.268 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CCc1ccc(Cl)cc1 ZINC000308538527 1199704475 /nfs/dbraw/zinc/70/44/75/1199704475.db2.gz SOKYDHWAQUZNHA-SFHVURJKSA-N 2 2 300.833 3.268 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000314315543 1199785118 /nfs/dbraw/zinc/78/51/18/1199785118.db2.gz BMCSZXVCPGYRJB-CJNGLKHVSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000314315543 1199785123 /nfs/dbraw/zinc/78/51/23/1199785123.db2.gz BMCSZXVCPGYRJB-CJNGLKHVSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+](C4CC4)CC3)s2)o1 ZINC000125265011 1200375130 /nfs/dbraw/zinc/37/51/30/1200375130.db2.gz JSNJRFHINOEYCO-UHFFFAOYSA-N 2 2 317.458 3.428 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000131008789 1201093092 /nfs/dbraw/zinc/09/30/92/1201093092.db2.gz LHGWEUFHDJQPPX-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001753010140 1202057973 /nfs/dbraw/zinc/05/79/73/1202057973.db2.gz OYOSFIAQNPXZAX-CYBMUJFWSA-N 2 2 316.449 3.097 20 0 DGADLP CC(C)[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001753299922 1202199910 /nfs/dbraw/zinc/19/99/10/1202199910.db2.gz JSVSDHADIGAKPF-SFHVURJKSA-N 2 2 322.412 3.032 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC(C)(C)C[NH2+]CCCF)c(C)[nH+]1 ZINC001700443298 1202274286 /nfs/dbraw/zinc/27/42/86/1202274286.db2.gz ALLKZXRKBRNWPG-UHFFFAOYSA-N 2 2 323.456 3.054 20 0 DGADLP C[C@H](C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)C[NH+]1CCCC1 ZINC000152195947 1202594027 /nfs/dbraw/zinc/59/40/27/1202594027.db2.gz NGOXVFBPSYMJMQ-UONOGXRCSA-N 2 2 307.507 3.089 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1Br ZINC000156860958 1202601544 /nfs/dbraw/zinc/60/15/44/1202601544.db2.gz UVWBQFUZBPKVEB-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1Br ZINC000156860958 1202601545 /nfs/dbraw/zinc/60/15/45/1202601545.db2.gz UVWBQFUZBPKVEB-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1Br ZINC000156860814 1202601611 /nfs/dbraw/zinc/60/16/11/1202601611.db2.gz UVWBQFUZBPKVEB-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1Br ZINC000156860814 1202601612 /nfs/dbraw/zinc/60/16/12/1202601612.db2.gz UVWBQFUZBPKVEB-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157662911 1202602748 /nfs/dbraw/zinc/60/27/48/1202602748.db2.gz BVTHEJSGSACYHI-YJBOKZPZSA-N 2 2 302.462 3.090 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157662911 1202602749 /nfs/dbraw/zinc/60/27/49/1202602749.db2.gz BVTHEJSGSACYHI-YJBOKZPZSA-N 2 2 302.462 3.090 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000237083930 1202646380 /nfs/dbraw/zinc/64/63/80/1202646380.db2.gz XVOBEWPCUCVLDM-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000237083930 1202646381 /nfs/dbraw/zinc/64/63/81/1202646381.db2.gz XVOBEWPCUCVLDM-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCCC(C)C ZINC000237202498 1202657272 /nfs/dbraw/zinc/65/72/72/1202657272.db2.gz BSTQALWRTLVXMP-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCCC(C)C ZINC000237202498 1202657273 /nfs/dbraw/zinc/65/72/73/1202657273.db2.gz BSTQALWRTLVXMP-QGZVFWFLSA-N 2 2 320.477 3.304 20 0 DGADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000237384433 1202673022 /nfs/dbraw/zinc/67/30/22/1202673022.db2.gz CCSRIVDQLCTHCS-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000237384433 1202673023 /nfs/dbraw/zinc/67/30/23/1202673023.db2.gz CCSRIVDQLCTHCS-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](CC[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001714218489 1202836966 /nfs/dbraw/zinc/83/69/66/1202836966.db2.gz LWEXJDBXFOFMOV-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716028549 1203428228 /nfs/dbraw/zinc/42/82/28/1203428228.db2.gz PNDCICDPLFEORO-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP C[C@@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716028549 1203428230 /nfs/dbraw/zinc/42/82/30/1203428230.db2.gz PNDCICDPLFEORO-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP CCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001716819578 1203547795 /nfs/dbraw/zinc/54/77/95/1203547795.db2.gz BSWNBJBOVXWWJH-KRWDZBQOSA-N 2 2 317.477 3.295 20 0 DGADLP CCC[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001725748904 1204211211 /nfs/dbraw/zinc/21/12/11/1204211211.db2.gz YFKBMYCAKFYOEA-JKSUJKDBSA-N 2 2 322.497 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCCC2CCC2)c(C)[nH+]1 ZINC001731779715 1204551958 /nfs/dbraw/zinc/55/19/58/1204551958.db2.gz KPDUBIARGXSIST-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCCC2CCC2)c(C)[nH+]1 ZINC001731779715 1204551961 /nfs/dbraw/zinc/55/19/61/1204551961.db2.gz KPDUBIARGXSIST-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cccc2c1cc[nH+]c2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164773153 721289784 /nfs/dbraw/zinc/28/97/84/721289784.db2.gz NXKXCZXWDRTQJG-UHFFFAOYSA-N 2 2 307.441 3.465 20 0 DGADLP Cc1cccc2c1cc[nH+]c2N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164773153 721289795 /nfs/dbraw/zinc/28/97/95/721289795.db2.gz NXKXCZXWDRTQJG-UHFFFAOYSA-N 2 2 307.441 3.465 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3c(F)cccc3C(F)(F)F)C2)CC1 ZINC001204464590 1081806669 /nfs/dbraw/zinc/80/66/69/1081806669.db2.gz KIOGCIXSVSGQMH-UHFFFAOYSA-N 2 2 316.342 3.372 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(Br)c1Cl)C[NH+](C)C ZINC000706494346 1082037221 /nfs/dbraw/zinc/03/72/21/1082037221.db2.gz JHGMNSGQCDAFHL-JTQLQIEISA-N 2 2 319.674 3.390 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCSCc2csc(C[NH+](C)C)n2)C1 ZINC001170104163 1082102224 /nfs/dbraw/zinc/10/22/24/1082102224.db2.gz JQGZMMXNSLEWGJ-QWHCGFSZSA-N 2 2 313.536 3.216 20 0 DGADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144792 1082201783 /nfs/dbraw/zinc/20/17/83/1082201783.db2.gz OOYRLVIWZNEHHD-FUHWJXTLSA-N 2 2 316.493 3.039 20 0 DGADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144792 1082201787 /nfs/dbraw/zinc/20/17/87/1082201787.db2.gz OOYRLVIWZNEHHD-FUHWJXTLSA-N 2 2 316.493 3.039 20 0 DGADLP CC[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CCO1 ZINC001170176863 1082304240 /nfs/dbraw/zinc/30/42/40/1082304240.db2.gz BZGQDQFEKFNWOH-AABGKKOBSA-N 2 2 316.489 3.241 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001170441447 1082450764 /nfs/dbraw/zinc/45/07/64/1082450764.db2.gz HCISMGPVZDGUGO-INIZCTEOSA-N 2 2 318.461 3.153 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001170441447 1082450774 /nfs/dbraw/zinc/45/07/74/1082450774.db2.gz HCISMGPVZDGUGO-INIZCTEOSA-N 2 2 318.461 3.153 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001170441448 1082451020 /nfs/dbraw/zinc/45/10/20/1082451020.db2.gz HCISMGPVZDGUGO-MRXNPFEDSA-N 2 2 318.461 3.153 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001170441448 1082451023 /nfs/dbraw/zinc/45/10/23/1082451023.db2.gz HCISMGPVZDGUGO-MRXNPFEDSA-N 2 2 318.461 3.153 20 0 DGADLP Cn1c[nH+]c2ccc(N(CC[NH3+])C34CC5CC(CC(C5)C3)C4)cc21 ZINC001170624839 1082954598 /nfs/dbraw/zinc/95/45/98/1082954598.db2.gz OCSRTURCJKKSIJ-UHFFFAOYSA-N 2 2 324.472 3.307 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001143471485 1083106142 /nfs/dbraw/zinc/10/61/42/1083106142.db2.gz IEAJAUKODNLWAX-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001143471485 1083106145 /nfs/dbraw/zinc/10/61/45/1083106145.db2.gz IEAJAUKODNLWAX-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001140999191 1083245412 /nfs/dbraw/zinc/24/54/12/1083245412.db2.gz OUKYDEWSCBXYCF-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP CCCC[NH+](CCCC)CCNc1nc2c(ccn2C)c[nH+]1 ZINC001167731951 1083308529 /nfs/dbraw/zinc/30/85/29/1083308529.db2.gz FQUUFKNXPIGUJH-UHFFFAOYSA-N 2 2 303.454 3.282 20 0 DGADLP COC1CC(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC001181534164 1083484750 /nfs/dbraw/zinc/48/47/50/1083484750.db2.gz GJJXZPNXTRAMIE-IZVXFFJCSA-N 2 2 311.429 3.126 20 0 DGADLP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001182595863 1083760396 /nfs/dbraw/zinc/76/03/96/1083760396.db2.gz XCNXCCLOVLNFOZ-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1c(Cl)cccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001182595863 1083760402 /nfs/dbraw/zinc/76/04/02/1083760402.db2.gz XCNXCCLOVLNFOZ-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)n1C ZINC001182666030 1083769356 /nfs/dbraw/zinc/76/93/56/1083769356.db2.gz JZSRFEUGDIBICE-GUDVDZBRSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)n1C ZINC001182666030 1083769363 /nfs/dbraw/zinc/76/93/63/1083769363.db2.gz JZSRFEUGDIBICE-GUDVDZBRSA-N 2 2 311.429 3.223 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C12CCC2 ZINC001182917922 1083840634 /nfs/dbraw/zinc/84/06/34/1083840634.db2.gz FJMMARHLIXFVHE-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C12CCC2 ZINC001182917922 1083840638 /nfs/dbraw/zinc/84/06/38/1083840638.db2.gz FJMMARHLIXFVHE-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP COc1c(Cl)ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205266991 1083936779 /nfs/dbraw/zinc/93/67/79/1083936779.db2.gz ZLOQJFYQKOJENV-HNNXBMFYSA-N 2 2 300.805 3.191 20 0 DGADLP COc1c(Cl)ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205266991 1083936782 /nfs/dbraw/zinc/93/67/82/1083936782.db2.gz ZLOQJFYQKOJENV-HNNXBMFYSA-N 2 2 300.805 3.191 20 0 DGADLP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183378841 1083941450 /nfs/dbraw/zinc/94/14/50/1083941450.db2.gz GFZCOPDYELUALP-KRWDZBQOSA-N 2 2 324.509 3.353 20 0 DGADLP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001183378841 1083941456 /nfs/dbraw/zinc/94/14/56/1083941456.db2.gz GFZCOPDYELUALP-KRWDZBQOSA-N 2 2 324.509 3.353 20 0 DGADLP Cc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c2c(n1)CCCC2 ZINC001184373608 1084174006 /nfs/dbraw/zinc/17/40/06/1084174006.db2.gz BCCFLPWKKSZJFZ-UHFFFAOYSA-N 2 2 324.472 3.382 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC001184418599 1084179656 /nfs/dbraw/zinc/17/96/56/1084179656.db2.gz QRQXCANBIWUSHL-AWEZNQCLSA-N 2 2 300.450 3.148 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@@H]1C[NH3+] ZINC001205303199 1084226484 /nfs/dbraw/zinc/22/64/84/1084226484.db2.gz AVGSXIUZTNCTEW-ONGXEEELSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@@H]1C[NH3+] ZINC001205303199 1084226492 /nfs/dbraw/zinc/22/64/92/1084226492.db2.gz AVGSXIUZTNCTEW-ONGXEEELSA-N 2 2 322.321 3.400 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303283 1084227610 /nfs/dbraw/zinc/22/76/10/1084227610.db2.gz BYBDWFWPUBOCID-YPMHNXCESA-N 2 2 316.367 3.131 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303283 1084227618 /nfs/dbraw/zinc/22/76/18/1084227618.db2.gz BYBDWFWPUBOCID-YPMHNXCESA-N 2 2 316.367 3.131 20 0 DGADLP COc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001143533595 1084609158 /nfs/dbraw/zinc/60/91/58/1084609158.db2.gz IPZOBEYMPHOJQZ-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP COc1c(F)cccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001143533595 1084609161 /nfs/dbraw/zinc/60/91/61/1084609161.db2.gz IPZOBEYMPHOJQZ-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001268741236 1085013539 /nfs/dbraw/zinc/01/35/39/1085013539.db2.gz XQNUNOWJUFZYND-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001268741236 1085013545 /nfs/dbraw/zinc/01/35/45/1085013545.db2.gz XQNUNOWJUFZYND-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167964074 1085822914 /nfs/dbraw/zinc/82/29/14/1085822914.db2.gz MUYYYGVOSDHPII-RJCAOGMDSA-N 2 2 303.425 3.277 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167964074 1085822920 /nfs/dbraw/zinc/82/29/20/1085822920.db2.gz MUYYYGVOSDHPII-RJCAOGMDSA-N 2 2 303.425 3.277 20 0 DGADLP O=C1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]2CCCC[C@@H]12 ZINC001167983358 1085938106 /nfs/dbraw/zinc/93/81/06/1085938106.db2.gz GOFWLNBVVSJTTC-YZYRWKSTSA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]2CCCC[C@@H]12 ZINC001167983358 1085938120 /nfs/dbraw/zinc/93/81/20/1085938120.db2.gz GOFWLNBVVSJTTC-YZYRWKSTSA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H]2CCCC[C@@H]12 ZINC001167983358 1085938128 /nfs/dbraw/zinc/93/81/28/1085938128.db2.gz GOFWLNBVVSJTTC-YZYRWKSTSA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]2CCCC[C@@H]12 ZINC001167983358 1085938139 /nfs/dbraw/zinc/93/81/39/1085938139.db2.gz GOFWLNBVVSJTTC-YZYRWKSTSA-N 2 2 316.489 3.225 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011023 1086212288 /nfs/dbraw/zinc/21/22/88/1086212288.db2.gz MEGAYWCFUSNSNY-ALXJQNPVSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011023 1086212294 /nfs/dbraw/zinc/21/22/94/1086212294.db2.gz MEGAYWCFUSNSNY-ALXJQNPVSA-N 2 2 310.445 3.008 20 0 DGADLP CC(C)[NH+]1CC(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017074 1086308357 /nfs/dbraw/zinc/30/83/57/1086308357.db2.gz WUYIHGLPNKIPPT-IZZQQSIFSA-N 2 2 315.505 3.110 20 0 DGADLP CC(C)[NH+]1CC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017074 1086308371 /nfs/dbraw/zinc/30/83/71/1086308371.db2.gz WUYIHGLPNKIPPT-IZZQQSIFSA-N 2 2 315.505 3.110 20 0 DGADLP CC(C)N1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017074 1086308379 /nfs/dbraw/zinc/30/83/79/1086308379.db2.gz WUYIHGLPNKIPPT-IZZQQSIFSA-N 2 2 315.505 3.110 20 0 DGADLP CC(C)N1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017074 1086308387 /nfs/dbraw/zinc/30/83/87/1086308387.db2.gz WUYIHGLPNKIPPT-IZZQQSIFSA-N 2 2 315.505 3.110 20 0 DGADLP Cc1nccnc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168035021 1086478984 /nfs/dbraw/zinc/47/89/84/1086478984.db2.gz SDMUMIKWJZEOHL-HZPDHXFCSA-N 2 2 324.472 3.316 20 0 DGADLP C[C@@H]1CC([N@@H+]2C[C@H]3CC[C@@H]2CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067924 1086713333 /nfs/dbraw/zinc/71/33/33/1086713333.db2.gz VDDYHKKBJKBLFY-QQTQMKHKSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1CC([N@H+]2C[C@H]3CC[C@@H]2CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067924 1086713339 /nfs/dbraw/zinc/71/33/39/1086713339.db2.gz VDDYHKKBJKBLFY-QQTQMKHKSA-N 2 2 314.473 3.291 20 0 DGADLP CCCC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001482543331 1086835438 /nfs/dbraw/zinc/83/54/38/1086835438.db2.gz GMJZFPJEDPVOIR-MRXNPFEDSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168093401 1086851145 /nfs/dbraw/zinc/85/11/45/1086851145.db2.gz MZJTUMSWMXHPJF-RDTXWAMCSA-N 2 2 320.452 3.256 20 0 DGADLP C[C@H](CC[NH2+]Cc1cc(Br)ccc1F)[NH+](C)C ZINC000697852648 1087344004 /nfs/dbraw/zinc/34/40/04/1087344004.db2.gz OXFRMEPBQKLFMG-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387628 1087547924 /nfs/dbraw/zinc/54/79/24/1087547924.db2.gz MSKCAICXWQNAJC-PMACEKPBSA-N 3 2 319.537 3.200 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387628 1087547925 /nfs/dbraw/zinc/54/79/25/1087547925.db2.gz MSKCAICXWQNAJC-PMACEKPBSA-N 3 2 319.537 3.200 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387628 1087547927 /nfs/dbraw/zinc/54/79/27/1087547927.db2.gz MSKCAICXWQNAJC-PMACEKPBSA-N 3 2 319.537 3.200 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387628 1087547928 /nfs/dbraw/zinc/54/79/28/1087547928.db2.gz MSKCAICXWQNAJC-PMACEKPBSA-N 3 2 319.537 3.200 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001168403609 1087564365 /nfs/dbraw/zinc/56/43/65/1087564365.db2.gz IZPRGFAACJKEIA-NRFANRHFSA-N 2 2 324.443 3.405 20 0 DGADLP Cc1c(F)cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1F ZINC001159262150 1088259260 /nfs/dbraw/zinc/25/92/60/1088259260.db2.gz RLKCTQOPATVLBN-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP CN(c1ccc(Nc2ccnc(C[NH3+])c2)c[nH+]1)C1CCCCC1 ZINC001159296407 1088278010 /nfs/dbraw/zinc/27/80/10/1088278010.db2.gz LJIZZBLLKIGGPX-UHFFFAOYSA-N 2 2 311.433 3.448 20 0 DGADLP Cc1c(F)cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1F ZINC001159321323 1088290524 /nfs/dbraw/zinc/29/05/24/1088290524.db2.gz IPQBPUKWGSRRQU-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1NC1=CCC[NH2+]C1 ZINC001159371081 1088313796 /nfs/dbraw/zinc/31/37/96/1088313796.db2.gz FRRXCZWXQXYBIC-UHFFFAOYSA-N 2 2 321.222 3.003 20 0 DGADLP CNc1ccc(Nc2cnccc2[C@@H]2C[C@H](C)C[C@H]([NH3+])C2)c[nH+]1 ZINC001159387555 1088330733 /nfs/dbraw/zinc/33/07/33/1088330733.db2.gz CUHMURGVRWRZEK-MJBXVCDLSA-N 2 2 311.433 3.493 20 0 DGADLP c1ccc2cc(NCc3ccccc3N3CC[NH2+]CC3)[nH+]cc2c1 ZINC001160108655 1088641566 /nfs/dbraw/zinc/64/15/66/1088641566.db2.gz UPDSDGONZYXLSL-UHFFFAOYSA-N 2 2 318.424 3.257 20 0 DGADLP c1cc2c([nH]1)[nH+]ccc2Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160210514 1088699646 /nfs/dbraw/zinc/69/96/46/1088699646.db2.gz BTRAVNLWVYJYPY-HNNXBMFYSA-N 2 2 308.385 3.389 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001160372677 1088766959 /nfs/dbraw/zinc/76/69/59/1088766959.db2.gz SZRMWTDVLRXTSI-UHFFFAOYSA-N 2 2 310.445 3.296 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001160372677 1088766969 /nfs/dbraw/zinc/76/69/69/1088766969.db2.gz SZRMWTDVLRXTSI-UHFFFAOYSA-N 2 2 310.445 3.296 20 0 DGADLP Cc1cc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)ccc1[NH+](C)C ZINC001160394664 1088780907 /nfs/dbraw/zinc/78/09/07/1088780907.db2.gz LSHVEHZMKUOACR-RDTXWAMCSA-N 2 2 309.413 3.252 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1NC(C)C ZINC001160465972 1088818590 /nfs/dbraw/zinc/81/85/90/1088818590.db2.gz OEIXUECZSKHUQP-QKDCVEJESA-N 2 2 303.454 3.033 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1NC(C)C ZINC001160465972 1088818617 /nfs/dbraw/zinc/81/86/17/1088818617.db2.gz OEIXUECZSKHUQP-QKDCVEJESA-N 2 2 303.454 3.033 20 0 DGADLP CCCN(CCC)c1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]cn1 ZINC001155030373 1088907523 /nfs/dbraw/zinc/90/75/23/1088907523.db2.gz JOPWGZVZDZGHLX-JKSUJKDBSA-N 2 2 319.497 3.151 20 0 DGADLP CCCN(CCC)c1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc[nH+]1 ZINC001155030373 1088907535 /nfs/dbraw/zinc/90/75/35/1088907535.db2.gz JOPWGZVZDZGHLX-JKSUJKDBSA-N 2 2 319.497 3.151 20 0 DGADLP c1[nH+]cn(-c2cc(-c3ccccc3)ccn2)c1C1CC[NH2+]CC1 ZINC001155053777 1088921906 /nfs/dbraw/zinc/92/19/06/1088921906.db2.gz REAHWRBOEGGXSH-UHFFFAOYSA-N 2 2 304.397 3.401 20 0 DGADLP CCC[N@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160760624 1088945215 /nfs/dbraw/zinc/94/52/15/1088945215.db2.gz DPSUWGBIJSVXLD-UHFFFAOYSA-N 2 2 315.461 3.169 20 0 DGADLP CCC[N@@H+]1CC=C(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001160760624 1088945233 /nfs/dbraw/zinc/94/52/33/1088945233.db2.gz DPSUWGBIJSVXLD-UHFFFAOYSA-N 2 2 315.461 3.169 20 0 DGADLP c1ccc2cc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)[nH+]cc2c1 ZINC001155377680 1089085385 /nfs/dbraw/zinc/08/53/85/1089085385.db2.gz HQFYAUGRRZYPSG-QGZVFWFLSA-N 2 2 311.429 3.196 20 0 DGADLP Cc1c[nH+]c(NC2CC[NH+](CC(=O)c3ccccc3)CC2)c(C)c1 ZINC001161147728 1089131954 /nfs/dbraw/zinc/13/19/54/1089131954.db2.gz XXSBHMWDTYSZOK-UHFFFAOYSA-N 2 2 323.440 3.458 20 0 DGADLP c1ccc(-c2cc[nH+]c(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001155620370 1089187781 /nfs/dbraw/zinc/18/77/81/1089187781.db2.gz VANMFUOYFARCQB-PKOBYXMFSA-N 2 2 309.413 3.072 20 0 DGADLP Cc1cccc2c(C)cc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC001155622037 1089191432 /nfs/dbraw/zinc/19/14/32/1089191432.db2.gz XXOKQCWVTACJGP-HNAYVOBHSA-N 2 2 311.429 3.175 20 0 DGADLP COCCC1(CNc2cc(C)c3ccccc3[nH+]2)CC[NH2+]CC1 ZINC001161503139 1089262592 /nfs/dbraw/zinc/26/25/92/1089262592.db2.gz COPAUXQPMQJGSL-UHFFFAOYSA-N 2 2 313.445 3.361 20 0 DGADLP [NH3+]C1(c2cccnc2)CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001161584438 1089296289 /nfs/dbraw/zinc/29/62/89/1089296289.db2.gz ZQGXKQPSMWTGGI-UHFFFAOYSA-N 2 2 304.397 3.084 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161682708 1089343820 /nfs/dbraw/zinc/34/38/20/1089343820.db2.gz WUBNWLPOHPFSJN-MRXNPFEDSA-N 2 2 313.449 3.155 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161682708 1089343829 /nfs/dbraw/zinc/34/38/29/1089343829.db2.gz WUBNWLPOHPFSJN-MRXNPFEDSA-N 2 2 313.449 3.155 20 0 DGADLP CCOC(=O)c1c(C)cc(NCc2[nH+]cn3ccccc23)[nH+]c1C ZINC001161684249 1089345402 /nfs/dbraw/zinc/34/54/02/1089345402.db2.gz LAJBUMLFEAXTPC-UHFFFAOYSA-N 2 2 324.384 3.135 20 0 DGADLP Cc1cc(NCC2C[NH+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC001156403078 1089508330 /nfs/dbraw/zinc/50/83/30/1089508330.db2.gz JERLDCQYBSKWKQ-UHFFFAOYSA-N 2 2 308.429 3.206 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](Nc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001162397445 1089713280 /nfs/dbraw/zinc/71/32/80/1089713280.db2.gz UTJUWTFTUXFOGG-NXEZZACHSA-N 2 2 309.211 3.007 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](Nc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001162397445 1089713291 /nfs/dbraw/zinc/71/32/91/1089713291.db2.gz UTJUWTFTUXFOGG-NXEZZACHSA-N 2 2 309.211 3.007 20 0 DGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162469215 1089749350 /nfs/dbraw/zinc/74/93/50/1089749350.db2.gz AANPWRCYYNEGBQ-ZIAGYGMSSA-N 2 2 302.397 3.059 20 0 DGADLP COc1ccc2cc(NC[C@]3(F)CCCC[NH2+]C3)[nH+]cc2c1 ZINC001162579673 1089805248 /nfs/dbraw/zinc/80/52/48/1089805248.db2.gz NHTHREHRUCTFNJ-KRWDZBQOSA-N 2 2 303.381 3.137 20 0 DGADLP Fc1ccc(NCc2ccc3c(c2)CC[NH2+]C3)cc1-n1cc[nH+]c1 ZINC001162816336 1089973768 /nfs/dbraw/zinc/97/37/68/1089973768.db2.gz ZKAICQUIMGOZKY-UHFFFAOYSA-N 2 2 322.387 3.269 20 0 DGADLP CCCCCC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162917611 1090025012 /nfs/dbraw/zinc/02/50/12/1090025012.db2.gz OGBMHJAJGTYMOX-UHFFFAOYSA-N 2 2 305.466 3.297 20 0 DGADLP Cc1cc(N(C)CC[N@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001157557153 1090025458 /nfs/dbraw/zinc/02/54/58/1090025458.db2.gz WJDRSCVVZYEHFB-UHFFFAOYSA-N 2 2 310.445 3.231 20 0 DGADLP Cc1cc(N(C)CC[N@@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001157557153 1090025474 /nfs/dbraw/zinc/02/54/74/1090025474.db2.gz WJDRSCVVZYEHFB-UHFFFAOYSA-N 2 2 310.445 3.231 20 0 DGADLP CCCc1ccc(CNc2cccc(N3CC[NH+](C)CC3)[nH+]2)cc1 ZINC001157829116 1090123732 /nfs/dbraw/zinc/12/37/32/1090123732.db2.gz JANDDFDHUHTJQY-UHFFFAOYSA-N 2 2 324.472 3.398 20 0 DGADLP CC(C)COc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001163230242 1090126583 /nfs/dbraw/zinc/12/65/83/1090126583.db2.gz NPARVMPBHNOXRD-CQSZACIVSA-N 2 2 303.431 3.434 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163310727 1090148012 /nfs/dbraw/zinc/14/80/12/1090148012.db2.gz OIJRTBYYNWFQFN-QUCCMNQESA-N 2 2 323.440 3.380 20 0 DGADLP CC(C)c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc(C(C)C)[nH+]1 ZINC001163317881 1090149145 /nfs/dbraw/zinc/14/91/45/1090149145.db2.gz XVPFCMGPCXWIRL-KBXCAEBGSA-N 2 2 318.465 3.046 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001163361062 1090162458 /nfs/dbraw/zinc/16/24/58/1090162458.db2.gz GPTVCSIVHAYLBF-DZGCQCFKSA-N 2 2 319.449 3.016 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163361062 1090162460 /nfs/dbraw/zinc/16/24/60/1090162460.db2.gz GPTVCSIVHAYLBF-DZGCQCFKSA-N 2 2 319.449 3.016 20 0 DGADLP CCN(c1[nH+]c(N2CCCC2)cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001158204415 1090200224 /nfs/dbraw/zinc/20/02/24/1090200224.db2.gz FRNGMFZLUGACFB-KRWDZBQOSA-N 2 2 324.472 3.413 20 0 DGADLP c1cc2c[nH+]c(-n3c4ccccc4nc3C3CC[NH2+]CC3)cc2[nH]1 ZINC001163758381 1090251126 /nfs/dbraw/zinc/25/11/26/1090251126.db2.gz FPXTUZYDOKAANC-UHFFFAOYSA-N 2 2 317.396 3.369 20 0 DGADLP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1c[nH+]c2c(c1)CCCN2 ZINC001163901796 1090283552 /nfs/dbraw/zinc/28/35/52/1090283552.db2.gz IQRCAJYVRQBEAN-UHFFFAOYSA-N 2 2 312.804 3.274 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001237190101 1090298103 /nfs/dbraw/zinc/29/81/03/1090298103.db2.gz CPPHBOIIXJLYQO-QWHCGFSZSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001237190101 1090298106 /nfs/dbraw/zinc/29/81/06/1090298106.db2.gz CPPHBOIIXJLYQO-QWHCGFSZSA-N 2 2 323.278 3.195 20 0 DGADLP Cc1nc(NCc2cccc(C[NH+](C)C)c2)c2c([nH+]1)CCCC2 ZINC001163993699 1090311448 /nfs/dbraw/zinc/31/14/48/1090311448.db2.gz SXHWHIKLROUXIR-UHFFFAOYSA-N 2 2 310.445 3.338 20 0 DGADLP Cc1nc(N2C[C@@H](C)CC[C@H]2C[NH3+])cc(C2CCCCC2)[nH+]1 ZINC001164072717 1090333803 /nfs/dbraw/zinc/33/38/03/1090333803.db2.gz BTTUOJMQZODTBE-BBRMVZONSA-N 2 2 302.466 3.396 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])N(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001164079595 1090336012 /nfs/dbraw/zinc/33/60/12/1090336012.db2.gz VLQATMZXDWWYND-WBVHZDCISA-N 2 2 324.472 3.399 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C[NH2+]CC(C)C)C2CC2)c(C)[nH+]1 ZINC001485819965 1090357841 /nfs/dbraw/zinc/35/78/41/1090357841.db2.gz NGYIIWFGKBKJES-QGZVFWFLSA-N 2 2 317.477 3.103 20 0 DGADLP C[NH+](C)C1(CNc2ncccc2-c2ccccc2)CC[NH+](C)CC1 ZINC001164207207 1090372214 /nfs/dbraw/zinc/37/22/14/1090372214.db2.gz VIUDFKHQWXAZKZ-UHFFFAOYSA-N 2 2 324.472 3.187 20 0 DGADLP CCCN(CCC)c1cc(N2CCC[C@](C)(C[NH3+])CC2)nc[nH+]1 ZINC001164246930 1090385680 /nfs/dbraw/zinc/38/56/80/1090385680.db2.gz DVBUAJJLXZKTOY-SFHVURJKSA-N 2 2 319.497 3.058 20 0 DGADLP CCCN(CCC)c1cc(N2CCC[C@](C)(C[NH3+])CC2)[nH+]cn1 ZINC001164246930 1090385687 /nfs/dbraw/zinc/38/56/87/1090385687.db2.gz DVBUAJJLXZKTOY-SFHVURJKSA-N 2 2 319.497 3.058 20 0 DGADLP COc1cc2cc[nH+]c(N3CCC4(CC([NH3+])C4)CC3)c2cc1F ZINC001165245418 1090487150 /nfs/dbraw/zinc/48/71/50/1090487150.db2.gz LQNFFYFCOBXKER-UHFFFAOYSA-N 2 2 315.392 3.090 20 0 DGADLP C[N@@H+]1CCC[C@H](CCNc2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001165300585 1090499458 /nfs/dbraw/zinc/49/94/58/1090499458.db2.gz QZFPSTOOOAXUTO-CQSZACIVSA-N 2 2 302.397 3.155 20 0 DGADLP C[N@H+]1CCC[C@H](CCNc2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001165300585 1090499462 /nfs/dbraw/zinc/49/94/62/1090499462.db2.gz QZFPSTOOOAXUTO-CQSZACIVSA-N 2 2 302.397 3.155 20 0 DGADLP C=Cc1ccc(CNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001168578868 1090576473 /nfs/dbraw/zinc/57/64/73/1090576473.db2.gz VWBMZYVACLGHQO-LJQANCHMSA-N 2 2 307.441 3.475 20 0 DGADLP C=Cc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001168578868 1090576479 /nfs/dbraw/zinc/57/64/79/1090576479.db2.gz VWBMZYVACLGHQO-LJQANCHMSA-N 2 2 307.441 3.475 20 0 DGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168676143 1090699831 /nfs/dbraw/zinc/69/98/31/1090699831.db2.gz ITJVWACCAVKSLB-INIZCTEOSA-N 2 2 300.833 3.268 20 0 DGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168676143 1090699833 /nfs/dbraw/zinc/69/98/33/1090699833.db2.gz ITJVWACCAVKSLB-INIZCTEOSA-N 2 2 300.833 3.268 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)o1 ZINC001203292773 1090713851 /nfs/dbraw/zinc/71/38/51/1090713851.db2.gz XWLIDLCHXPQPDE-RTBURBONSA-N 2 2 310.441 3.460 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001203290839 1090714004 /nfs/dbraw/zinc/71/40/04/1090714004.db2.gz TWWPPLLIGKMJTK-GASCZTMLSA-N 2 2 302.443 3.213 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001203290839 1090714008 /nfs/dbraw/zinc/71/40/08/1090714008.db2.gz TWWPPLLIGKMJTK-GASCZTMLSA-N 2 2 302.443 3.213 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001203290839 1090714010 /nfs/dbraw/zinc/71/40/10/1090714010.db2.gz TWWPPLLIGKMJTK-GASCZTMLSA-N 2 2 302.443 3.213 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001203290839 1090714016 /nfs/dbraw/zinc/71/40/16/1090714016.db2.gz TWWPPLLIGKMJTK-GASCZTMLSA-N 2 2 302.443 3.213 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC001204033065 1090877619 /nfs/dbraw/zinc/87/76/19/1090877619.db2.gz FLFAKIWTPLMVCL-INIZCTEOSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC001204033065 1090877623 /nfs/dbraw/zinc/87/76/23/1090877623.db2.gz FLFAKIWTPLMVCL-INIZCTEOSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)cc1 ZINC001204417637 1090965226 /nfs/dbraw/zinc/96/52/26/1090965226.db2.gz RHVWCZSPEPCJIS-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)cc1 ZINC001204417637 1090965228 /nfs/dbraw/zinc/96/52/28/1090965228.db2.gz RHVWCZSPEPCJIS-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3cc(C(F)(F)F)ccc3F)C2)CC1 ZINC001204476817 1090978864 /nfs/dbraw/zinc/97/88/64/1090978864.db2.gz BTTDNSRUTRYXDF-UHFFFAOYSA-N 2 2 316.342 3.372 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204519616 1090988967 /nfs/dbraw/zinc/98/89/67/1090988967.db2.gz ISFVRGAHIIGDMM-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@H+](CC[NH3+])Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC001204700158 1091019598 /nfs/dbraw/zinc/01/95/98/1091019598.db2.gz YIFCJUNJSSYRDZ-UHFFFAOYSA-N 2 2 309.413 3.137 20 0 DGADLP C[N@@H+](CC[NH3+])Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC001204700158 1091019605 /nfs/dbraw/zinc/01/96/05/1091019605.db2.gz YIFCJUNJSSYRDZ-UHFFFAOYSA-N 2 2 309.413 3.137 20 0 DGADLP Cc1cc(C)[nH+]c(Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC001204717695 1091022048 /nfs/dbraw/zinc/02/20/48/1091022048.db2.gz XCDPXDKNVOGENX-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP Cc1cc(C)[nH+]c(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC001204717695 1091022055 /nfs/dbraw/zinc/02/20/55/1091022055.db2.gz XCDPXDKNVOGENX-UHFFFAOYSA-N 2 2 310.445 3.189 20 0 DGADLP Clc1cccc2c1C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001168737644 1091026577 /nfs/dbraw/zinc/02/65/77/1091026577.db2.gz BNAYQTMWQWBPKM-OAHLLOKOSA-N 2 2 301.821 3.341 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2OC)C1 ZINC001205009362 1091082909 /nfs/dbraw/zinc/08/29/09/1091082909.db2.gz OZESMIXOZDUNCW-GFCCVEGCSA-N 2 2 316.367 3.145 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2OC)C1 ZINC001205009362 1091082917 /nfs/dbraw/zinc/08/29/17/1091082917.db2.gz OZESMIXOZDUNCW-GFCCVEGCSA-N 2 2 316.367 3.145 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068722 1091094423 /nfs/dbraw/zinc/09/44/23/1091094423.db2.gz NEWGMABUUACYFU-WFASDCNBSA-N 2 2 301.459 3.430 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068722 1091094427 /nfs/dbraw/zinc/09/44/27/1091094427.db2.gz NEWGMABUUACYFU-WFASDCNBSA-N 2 2 301.459 3.430 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205273198 1091158661 /nfs/dbraw/zinc/15/86/61/1091158661.db2.gz HNLZDLVAXVKPPB-KRWDZBQOSA-N 2 2 318.852 3.433 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205273198 1091158667 /nfs/dbraw/zinc/15/86/67/1091158667.db2.gz HNLZDLVAXVKPPB-KRWDZBQOSA-N 2 2 318.852 3.433 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205280865 1091162841 /nfs/dbraw/zinc/16/28/41/1091162841.db2.gz KQPACIHVSVCDKY-CYBMUJFWSA-N 2 2 321.774 3.457 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001205280865 1091162845 /nfs/dbraw/zinc/16/28/45/1091162845.db2.gz KQPACIHVSVCDKY-CYBMUJFWSA-N 2 2 321.774 3.457 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304345 1091175265 /nfs/dbraw/zinc/17/52/65/1091175265.db2.gz OABAEXBEHYYCSC-DGCLKSJQSA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304345 1091175267 /nfs/dbraw/zinc/17/52/67/1091175267.db2.gz OABAEXBEHYYCSC-DGCLKSJQSA-N 2 2 316.367 3.131 20 0 DGADLP COc1c(F)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1F ZINC001138427514 1091181015 /nfs/dbraw/zinc/18/10/15/1091181015.db2.gz QBVSKPIOKQEZNB-UHFFFAOYSA-N 2 2 312.404 3.278 20 0 DGADLP COc1c(F)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1F ZINC001138427514 1091181017 /nfs/dbraw/zinc/18/10/17/1091181017.db2.gz QBVSKPIOKQEZNB-UHFFFAOYSA-N 2 2 312.404 3.278 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@H]1C[NH3+] ZINC001205317318 1091182771 /nfs/dbraw/zinc/18/27/71/1091182771.db2.gz NROVZCWWDSLNCG-KBXCAEBGSA-N 2 2 313.420 3.304 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@H]1C[NH3+] ZINC001205317318 1091182779 /nfs/dbraw/zinc/18/27/79/1091182779.db2.gz NROVZCWWDSLNCG-KBXCAEBGSA-N 2 2 313.420 3.304 20 0 DGADLP COc1ccc2[nH]cc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c2c1 ZINC001138509860 1091209912 /nfs/dbraw/zinc/20/99/12/1091209912.db2.gz GZYLEPBLDNXBGR-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP COc1ccc2[nH]cc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c2c1 ZINC001138509860 1091209918 /nfs/dbraw/zinc/20/99/18/1091209918.db2.gz GZYLEPBLDNXBGR-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc1 ZINC001138548245 1091225748 /nfs/dbraw/zinc/22/57/48/1091225748.db2.gz BPLHTVLFIBSLKX-HNNXBMFYSA-N 2 2 317.433 3.210 20 0 DGADLP COc1ccc2c(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001138591702 1091245493 /nfs/dbraw/zinc/24/54/93/1091245493.db2.gz ZYOARZHHABDZJU-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP COc1ccc2c(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001138591702 1091245502 /nfs/dbraw/zinc/24/55/02/1091245502.db2.gz ZYOARZHHABDZJU-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP CCn1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001205557235 1091251154 /nfs/dbraw/zinc/25/11/54/1091251154.db2.gz KZMQSSOTCNCSBF-UHFFFAOYSA-N 2 2 304.482 3.132 20 0 DGADLP CCn1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001205557235 1091251158 /nfs/dbraw/zinc/25/11/58/1091251158.db2.gz KZMQSSOTCNCSBF-UHFFFAOYSA-N 2 2 304.482 3.132 20 0 DGADLP COc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1C ZINC001293569221 1091258941 /nfs/dbraw/zinc/25/89/41/1091258941.db2.gz YMNKGEFRPVZIIV-UHFFFAOYSA-N 2 2 322.368 3.145 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cc(C)cc(C)c1 ZINC001293591276 1091261154 /nfs/dbraw/zinc/26/11/54/1091261154.db2.gz RZFXKSBSJJEFCG-UHFFFAOYSA-N 2 2 320.396 3.374 20 0 DGADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1C ZINC001138727914 1091304832 /nfs/dbraw/zinc/30/48/32/1091304832.db2.gz XCSKWTRPNFBHLT-FUHWJXTLSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1C ZINC001138727914 1091304843 /nfs/dbraw/zinc/30/48/43/1091304843.db2.gz XCSKWTRPNFBHLT-FUHWJXTLSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(C)c1C ZINC001138727914 1091304853 /nfs/dbraw/zinc/30/48/53/1091304853.db2.gz XCSKWTRPNFBHLT-FUHWJXTLSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)c1C ZINC001138727914 1091304864 /nfs/dbraw/zinc/30/48/64/1091304864.db2.gz XCSKWTRPNFBHLT-FUHWJXTLSA-N 2 2 302.462 3.146 20 0 DGADLP c1[nH]nc2c1cccc2C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276395366 1091304899 /nfs/dbraw/zinc/30/48/99/1091304899.db2.gz GUZQYWWBCGWCSJ-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1[nH]nc2c1cccc2C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276395366 1091304909 /nfs/dbraw/zinc/30/49/09/1091304909.db2.gz GUZQYWWBCGWCSJ-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1C(C)C ZINC001205767829 1091339209 /nfs/dbraw/zinc/33/92/09/1091339209.db2.gz BBQLUFVXQQKOOI-CQSZACIVSA-N 2 2 312.404 3.235 20 0 DGADLP COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1C(C)C ZINC001205767829 1091339221 /nfs/dbraw/zinc/33/92/21/1091339221.db2.gz BBQLUFVXQQKOOI-CQSZACIVSA-N 2 2 312.404 3.235 20 0 DGADLP CCCCOc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205770820 1091341836 /nfs/dbraw/zinc/34/18/36/1091341836.db2.gz PHXYUFZYRNRFLS-OAHLLOKOSA-N 2 2 312.404 3.281 20 0 DGADLP CCCCOc1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205770820 1091341848 /nfs/dbraw/zinc/34/18/48/1091341848.db2.gz PHXYUFZYRNRFLS-OAHLLOKOSA-N 2 2 312.404 3.281 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828390 1091370809 /nfs/dbraw/zinc/37/08/09/1091370809.db2.gz KWCOGIBBLSTFCA-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001205828390 1091370815 /nfs/dbraw/zinc/37/08/15/1091370815.db2.gz KWCOGIBBLSTFCA-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830232 1091371107 /nfs/dbraw/zinc/37/11/07/1091371107.db2.gz SGOFNLVTKOWKTP-PBHICJAKSA-N 2 2 302.462 3.349 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830232 1091371119 /nfs/dbraw/zinc/37/11/19/1091371119.db2.gz SGOFNLVTKOWKTP-PBHICJAKSA-N 2 2 302.462 3.349 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838192 1091373370 /nfs/dbraw/zinc/37/33/70/1091373370.db2.gz BEWYXEOOZRCKAX-WFASDCNBSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838192 1091373382 /nfs/dbraw/zinc/37/33/82/1091373382.db2.gz BEWYXEOOZRCKAX-WFASDCNBSA-N 2 2 303.837 3.447 20 0 DGADLP Cc1cnccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001205835740 1091373582 /nfs/dbraw/zinc/37/35/82/1091373582.db2.gz YWIJITVRTHALAQ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cnccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001205835740 1091373591 /nfs/dbraw/zinc/37/35/91/1091373591.db2.gz YWIJITVRTHALAQ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cnccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001205835740 1091373604 /nfs/dbraw/zinc/37/36/04/1091373604.db2.gz YWIJITVRTHALAQ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cnccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001205835740 1091373610 /nfs/dbraw/zinc/37/36/10/1091373610.db2.gz YWIJITVRTHALAQ-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842137 1091375089 /nfs/dbraw/zinc/37/50/89/1091375089.db2.gz MQINBNZGZSNXGB-WBVHZDCISA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842137 1091375098 /nfs/dbraw/zinc/37/50/98/1091375098.db2.gz MQINBNZGZSNXGB-WBVHZDCISA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001205843356 1091375493 /nfs/dbraw/zinc/37/54/93/1091375493.db2.gz RPFXTWVPEQGGSH-CZUORRHYSA-N 2 2 318.852 3.085 20 0 DGADLP CC[N@H+](Cc1c2cc[nH]c2ncc1Cl)C1CC[NH+](C)CC1 ZINC001138950629 1091387923 /nfs/dbraw/zinc/38/79/23/1091387923.db2.gz DRKOCBMIHHBIEP-UHFFFAOYSA-N 2 2 306.841 3.084 20 0 DGADLP CC[N@@H+](Cc1c2cc[nH]c2ncc1Cl)C1CC[NH+](C)CC1 ZINC001138950629 1091387941 /nfs/dbraw/zinc/38/79/41/1091387941.db2.gz DRKOCBMIHHBIEP-UHFFFAOYSA-N 2 2 306.841 3.084 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC[C@@H]1C ZINC001139052768 1091429938 /nfs/dbraw/zinc/42/99/38/1091429938.db2.gz NOPATGTYVZFCNL-ROUUACIJSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC[C@@H]1C ZINC001139052768 1091429946 /nfs/dbraw/zinc/42/99/46/1091429946.db2.gz NOPATGTYVZFCNL-ROUUACIJSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@]1(F)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139053259 1091430727 /nfs/dbraw/zinc/43/07/27/1091430727.db2.gz YZCFTVCYIKJQPH-LJQANCHMSA-N 2 2 320.452 3.233 20 0 DGADLP C[C@@]1(F)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001139053259 1091430733 /nfs/dbraw/zinc/43/07/33/1091430733.db2.gz YZCFTVCYIKJQPH-LJQANCHMSA-N 2 2 320.452 3.233 20 0 DGADLP c1ccc(C2C[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC001139058949 1091432730 /nfs/dbraw/zinc/43/27/30/1091432730.db2.gz HEDXHFWQRGZIOJ-UHFFFAOYSA-N 2 2 322.452 3.118 20 0 DGADLP COc1cc(O)ccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001139144492 1091463882 /nfs/dbraw/zinc/46/38/82/1091463882.db2.gz RYQPJMYKPHKBOR-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP COc1cc(O)ccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001139144492 1091463886 /nfs/dbraw/zinc/46/38/86/1091463886.db2.gz RYQPJMYKPHKBOR-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247768 1091500160 /nfs/dbraw/zinc/50/01/60/1091500160.db2.gz OWASAYKIJSGFRH-FQEVSTJZSA-N 2 2 323.440 3.402 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247768 1091500168 /nfs/dbraw/zinc/50/01/68/1091500168.db2.gz OWASAYKIJSGFRH-FQEVSTJZSA-N 2 2 323.440 3.402 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247768 1091500176 /nfs/dbraw/zinc/50/01/76/1091500176.db2.gz OWASAYKIJSGFRH-FQEVSTJZSA-N 2 2 323.440 3.402 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247768 1091500181 /nfs/dbraw/zinc/50/01/81/1091500181.db2.gz OWASAYKIJSGFRH-FQEVSTJZSA-N 2 2 323.440 3.402 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@@H]1F ZINC001206163654 1091516226 /nfs/dbraw/zinc/51/62/26/1091516226.db2.gz DMKZCYVPBYJCCV-WCQYABFASA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@@H]1F ZINC001206163654 1091516232 /nfs/dbraw/zinc/51/62/32/1091516232.db2.gz DMKZCYVPBYJCCV-WCQYABFASA-N 2 2 308.294 3.106 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139388630 1091542408 /nfs/dbraw/zinc/54/24/08/1091542408.db2.gz CXEFJCJIYZJZEO-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001206276595 1091559719 /nfs/dbraw/zinc/55/97/19/1091559719.db2.gz HBEQCDAOFVQZOY-AWEZNQCLSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001206276595 1091559726 /nfs/dbraw/zinc/55/97/26/1091559726.db2.gz HBEQCDAOFVQZOY-AWEZNQCLSA-N 2 2 315.848 3.443 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001139478377 1091570519 /nfs/dbraw/zinc/57/05/19/1091570519.db2.gz MHHDJZRBJWOMSI-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP COCc1cc(C)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)c1 ZINC001206323412 1091578757 /nfs/dbraw/zinc/57/87/57/1091578757.db2.gz GEQMGIRYBZJEJV-UHFFFAOYSA-N 2 2 321.424 3.451 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001206344334 1091587232 /nfs/dbraw/zinc/58/72/32/1091587232.db2.gz RBNTXANCPYMSQY-AWEZNQCLSA-N 2 2 320.330 3.238 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001206344334 1091587244 /nfs/dbraw/zinc/58/72/44/1091587244.db2.gz RBNTXANCPYMSQY-AWEZNQCLSA-N 2 2 320.330 3.238 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206344037 1091587760 /nfs/dbraw/zinc/58/77/60/1091587760.db2.gz LSNSXLQHKUDDOS-MRXNPFEDSA-N 2 2 309.816 3.474 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206344037 1091587767 /nfs/dbraw/zinc/58/77/67/1091587767.db2.gz LSNSXLQHKUDDOS-MRXNPFEDSA-N 2 2 309.816 3.474 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2c1 ZINC001206344186 1091587967 /nfs/dbraw/zinc/58/79/67/1091587967.db2.gz OIJKVDRHTAKBPD-QGZVFWFLSA-N 2 2 306.381 3.094 20 0 DGADLP COc1ccc2oc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2c1 ZINC001206344186 1091587975 /nfs/dbraw/zinc/58/79/75/1091587975.db2.gz OIJKVDRHTAKBPD-QGZVFWFLSA-N 2 2 306.381 3.094 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001206370243 1091603532 /nfs/dbraw/zinc/60/35/32/1091603532.db2.gz MMOYNOPRENJHPE-GOSISDBHSA-N 2 2 319.399 3.474 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001206370243 1091603535 /nfs/dbraw/zinc/60/35/35/1091603535.db2.gz MMOYNOPRENJHPE-GOSISDBHSA-N 2 2 319.399 3.474 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001206547614 1091664207 /nfs/dbraw/zinc/66/42/07/1091664207.db2.gz DNBIKIJJKQCANL-MRXNPFEDSA-N 2 2 310.825 3.020 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001206547614 1091664209 /nfs/dbraw/zinc/66/42/09/1091664209.db2.gz DNBIKIJJKQCANL-MRXNPFEDSA-N 2 2 310.825 3.020 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001206616896 1091691251 /nfs/dbraw/zinc/69/12/51/1091691251.db2.gz SZKGHJYWXLFTKO-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001206616896 1091691261 /nfs/dbraw/zinc/69/12/61/1091691261.db2.gz SZKGHJYWXLFTKO-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP Cn1ncc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc21 ZINC001139904805 1091709695 /nfs/dbraw/zinc/70/96/95/1091709695.db2.gz UMNHAWYBYVCWDJ-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC001206722522 1091712638 /nfs/dbraw/zinc/71/26/38/1091712638.db2.gz BVCKIZZYFLVJNN-UHFFFAOYSA-N 2 2 300.377 3.399 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(C)nc4)C[C@@H]3C2)cc1 ZINC001139930853 1091716300 /nfs/dbraw/zinc/71/63/00/1091716300.db2.gz GIQWZDBJUYWBOC-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C)nc4)C[C@@H]3C2)cc1 ZINC001139930853 1091716306 /nfs/dbraw/zinc/71/63/06/1091716306.db2.gz GIQWZDBJUYWBOC-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C)nc4)C[C@@H]3C2)cc1 ZINC001139930853 1091716312 /nfs/dbraw/zinc/71/63/12/1091716312.db2.gz GIQWZDBJUYWBOC-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(C)nc4)C[C@@H]3C2)cc1 ZINC001139930853 1091716315 /nfs/dbraw/zinc/71/63/15/1091716315.db2.gz GIQWZDBJUYWBOC-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001140023558 1091742298 /nfs/dbraw/zinc/74/22/98/1091742298.db2.gz QMBDNKBQRBTAFX-MJGOQNOKSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001140023558 1091742307 /nfs/dbraw/zinc/74/23/07/1091742307.db2.gz QMBDNKBQRBTAFX-MJGOQNOKSA-N 2 2 311.429 3.182 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498218 1091772215 /nfs/dbraw/zinc/77/22/15/1091772215.db2.gz SUWRQINOAOBGJI-UYAOXDASSA-N 3 2 319.537 3.059 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498218 1091772223 /nfs/dbraw/zinc/77/22/23/1091772223.db2.gz SUWRQINOAOBGJI-UYAOXDASSA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498218 1091772230 /nfs/dbraw/zinc/77/22/30/1091772230.db2.gz SUWRQINOAOBGJI-UYAOXDASSA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498218 1091772236 /nfs/dbraw/zinc/77/22/36/1091772236.db2.gz SUWRQINOAOBGJI-UYAOXDASSA-N 3 2 319.537 3.059 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173636 1091790700 /nfs/dbraw/zinc/79/07/00/1091790700.db2.gz DXHDIGDVZJLVQW-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173636 1091790705 /nfs/dbraw/zinc/79/07/05/1091790705.db2.gz DXHDIGDVZJLVQW-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173636 1091790712 /nfs/dbraw/zinc/79/07/12/1091790712.db2.gz DXHDIGDVZJLVQW-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3)C[C@@H]21 ZINC001140173636 1091790720 /nfs/dbraw/zinc/79/07/20/1091790720.db2.gz DXHDIGDVZJLVQW-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP CCOc1ccc2[nH]cc(C[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC001140266365 1091809668 /nfs/dbraw/zinc/80/96/68/1091809668.db2.gz ANQJENXLCUDYTF-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP Cc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153454 1091864855 /nfs/dbraw/zinc/86/48/55/1091864855.db2.gz AZLROAKHTKPLKQ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153454 1091864861 /nfs/dbraw/zinc/86/48/61/1091864861.db2.gz AZLROAKHTKPLKQ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153454 1091864866 /nfs/dbraw/zinc/86/48/66/1091864866.db2.gz AZLROAKHTKPLKQ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153454 1091864868 /nfs/dbraw/zinc/86/48/68/1091864868.db2.gz AZLROAKHTKPLKQ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153455 1091865804 /nfs/dbraw/zinc/86/58/04/1091865804.db2.gz AZLROAKHTKPLKQ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153455 1091865813 /nfs/dbraw/zinc/86/58/13/1091865813.db2.gz AZLROAKHTKPLKQ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153455 1091865821 /nfs/dbraw/zinc/86/58/21/1091865821.db2.gz AZLROAKHTKPLKQ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207153455 1091865827 /nfs/dbraw/zinc/86/58/27/1091865827.db2.gz AZLROAKHTKPLKQ-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@@H](C)C(=O)OC)C2)C1 ZINC001276519411 1091908521 /nfs/dbraw/zinc/90/85/21/1091908521.db2.gz VRRMUEUMXHTZJC-IAGOWNOFSA-N 2 2 324.509 3.020 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](C[C@@H](C)C(=O)OC)C2)C1 ZINC001276519411 1091908527 /nfs/dbraw/zinc/90/85/27/1091908527.db2.gz VRRMUEUMXHTZJC-IAGOWNOFSA-N 2 2 324.509 3.020 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c(Cl)ncc4ccccc43)C[C@@H]2C1 ZINC001140726684 1091977562 /nfs/dbraw/zinc/97/75/62/1091977562.db2.gz RPNMIFDXEQDENH-GJZGRUSLSA-N 2 2 315.848 3.272 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001207502941 1091994488 /nfs/dbraw/zinc/99/44/88/1091994488.db2.gz OWPZESCRNRCTJY-INIZCTEOSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001207502941 1091994492 /nfs/dbraw/zinc/99/44/92/1091994492.db2.gz OWPZESCRNRCTJY-INIZCTEOSA-N 2 2 300.377 3.225 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207509308 1091998431 /nfs/dbraw/zinc/99/84/31/1091998431.db2.gz CJFFMVGFJVUHJQ-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207509308 1091998439 /nfs/dbraw/zinc/99/84/39/1091998439.db2.gz CJFFMVGFJVUHJQ-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207509308 1091998443 /nfs/dbraw/zinc/99/84/43/1091998443.db2.gz CJFFMVGFJVUHJQ-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207509308 1091998452 /nfs/dbraw/zinc/99/84/52/1091998452.db2.gz CJFFMVGFJVUHJQ-MRXNPFEDSA-N 2 2 323.278 3.019 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC001207519463 1092004182 /nfs/dbraw/zinc/00/41/82/1092004182.db2.gz VWURPQZIJKGESD-QGZVFWFLSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001207519463 1092004195 /nfs/dbraw/zinc/00/41/95/1092004195.db2.gz VWURPQZIJKGESD-QGZVFWFLSA-N 2 2 300.377 3.225 20 0 DGADLP Cc1cc(F)ccc1N1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805511 1092008901 /nfs/dbraw/zinc/00/89/01/1092008901.db2.gz HYQMQTPUSXXLEA-UHFFFAOYSA-N 2 2 324.403 3.333 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001140806206 1092011192 /nfs/dbraw/zinc/01/11/92/1092011192.db2.gz DAOTUAIJGREFQX-HDICACEKSA-N 2 2 318.424 3.022 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001140806206 1092011200 /nfs/dbraw/zinc/01/12/00/1092011200.db2.gz DAOTUAIJGREFQX-HDICACEKSA-N 2 2 318.424 3.022 20 0 DGADLP Cc1ccn2cc(C[N@@H+](C)Cc3c[nH]c4cc[nH+]cc34)nc2c1 ZINC001140806664 1092011485 /nfs/dbraw/zinc/01/14/85/1092011485.db2.gz NITFFWJJGAVCTD-UHFFFAOYSA-N 2 2 305.385 3.151 20 0 DGADLP Cc1ccn2cc(C[N@H+](C)Cc3c[nH]c4cc[nH+]cc34)nc2c1 ZINC001140806664 1092011496 /nfs/dbraw/zinc/01/14/96/1092011496.db2.gz NITFFWJJGAVCTD-UHFFFAOYSA-N 2 2 305.385 3.151 20 0 DGADLP COCC[N@H+](CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207610231 1092040669 /nfs/dbraw/zinc/04/06/69/1092040669.db2.gz GKPPJLCOBSGSGD-UHFFFAOYSA-N 2 2 304.478 3.052 20 0 DGADLP COCC[N@@H+](CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207610231 1092040679 /nfs/dbraw/zinc/04/06/79/1092040679.db2.gz GKPPJLCOBSGSGD-UHFFFAOYSA-N 2 2 304.478 3.052 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)[nH]n1 ZINC001203075604 1092051455 /nfs/dbraw/zinc/05/14/55/1092051455.db2.gz LVOYDOFZPDZQQT-UFYCRDLUSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)[nH]n1 ZINC001203075604 1092051460 /nfs/dbraw/zinc/05/14/60/1092051460.db2.gz LVOYDOFZPDZQQT-UFYCRDLUSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)[nH]n1 ZINC001203075604 1092051468 /nfs/dbraw/zinc/05/14/68/1092051468.db2.gz LVOYDOFZPDZQQT-UFYCRDLUSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)[nH]n1 ZINC001203075604 1092051474 /nfs/dbraw/zinc/05/14/74/1092051474.db2.gz LVOYDOFZPDZQQT-UFYCRDLUSA-N 2 2 324.472 3.329 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1N ZINC001140900910 1092057697 /nfs/dbraw/zinc/05/76/97/1092057697.db2.gz DVTMXACAAVBSKT-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1N ZINC001140900910 1092057706 /nfs/dbraw/zinc/05/77/06/1092057706.db2.gz DVTMXACAAVBSKT-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP Cc1ncccc1CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207745472 1092088207 /nfs/dbraw/zinc/08/82/07/1092088207.db2.gz OBXKAWQMUFZCQS-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ncccc1CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207745472 1092088214 /nfs/dbraw/zinc/08/82/14/1092088214.db2.gz OBXKAWQMUFZCQS-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC001207825090 1092108905 /nfs/dbraw/zinc/10/89/05/1092108905.db2.gz UDBPWIWFGKMNMD-JKSUJKDBSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC001207825090 1092108913 /nfs/dbraw/zinc/10/89/13/1092108913.db2.gz UDBPWIWFGKMNMD-JKSUJKDBSA-N 2 2 305.466 3.387 20 0 DGADLP C[C@H]1CN(Cc2ccn3cc[nH+]c3c2)CC[N@@H+]1C1CCCCC1 ZINC001141051338 1092119527 /nfs/dbraw/zinc/11/95/27/1092119527.db2.gz ZLSUUDVIANIYGU-INIZCTEOSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@H]1CN(Cc2ccn3cc[nH+]c3c2)CC[N@H+]1C1CCCCC1 ZINC001141051338 1092119531 /nfs/dbraw/zinc/11/95/31/1092119531.db2.gz ZLSUUDVIANIYGU-INIZCTEOSA-N 2 2 312.461 3.173 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207894428 1092130576 /nfs/dbraw/zinc/13/05/76/1092130576.db2.gz LLBBMYGOZFOHQG-GOSISDBHSA-N 2 2 322.880 3.415 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207894428 1092130580 /nfs/dbraw/zinc/13/05/80/1092130580.db2.gz LLBBMYGOZFOHQG-GOSISDBHSA-N 2 2 322.880 3.415 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141191155 1092167790 /nfs/dbraw/zinc/16/77/90/1092167790.db2.gz IKCVXTTWWYWWMR-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141191155 1092167792 /nfs/dbraw/zinc/16/77/92/1092167792.db2.gz IKCVXTTWWYWWMR-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001208108350 1092199117 /nfs/dbraw/zinc/19/91/17/1092199117.db2.gz UAQBDUOWYAVDOS-UHFFFAOYSA-N 2 2 323.278 3.497 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001208108350 1092199123 /nfs/dbraw/zinc/19/91/23/1092199123.db2.gz UAQBDUOWYAVDOS-UHFFFAOYSA-N 2 2 323.278 3.497 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@@H]3CCC(C)=C[C@H]3C)CC2)nc(C)[nH+]1 ZINC001208174832 1092242517 /nfs/dbraw/zinc/24/25/17/1092242517.db2.gz KZYVIDGWEVJWAS-QAPCUYQASA-N 2 2 314.477 3.208 20 0 DGADLP C[NH+](C)CC1(C[NH+]2CCN(c3ccccc3F)CC2)CCCC1 ZINC001208190939 1092250956 /nfs/dbraw/zinc/25/09/56/1092250956.db2.gz HZDPNGBKUSXKOV-UHFFFAOYSA-N 2 2 319.468 3.070 20 0 DGADLP CC[N@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218583 1092274485 /nfs/dbraw/zinc/27/44/85/1092274485.db2.gz SBDIZOQVQYVMIB-HNNXBMFYSA-N 2 2 318.461 3.010 20 0 DGADLP CC[N@@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218583 1092274498 /nfs/dbraw/zinc/27/44/98/1092274498.db2.gz SBDIZOQVQYVMIB-HNNXBMFYSA-N 2 2 318.461 3.010 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604616 1092421361 /nfs/dbraw/zinc/42/13/61/1092421361.db2.gz RBDYTQRYLSMUOX-PXNSSMCTSA-N 2 2 309.457 3.235 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604616 1092421369 /nfs/dbraw/zinc/42/13/69/1092421369.db2.gz RBDYTQRYLSMUOX-PXNSSMCTSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604616 1092421375 /nfs/dbraw/zinc/42/13/75/1092421375.db2.gz RBDYTQRYLSMUOX-PXNSSMCTSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604616 1092421385 /nfs/dbraw/zinc/42/13/85/1092421385.db2.gz RBDYTQRYLSMUOX-PXNSSMCTSA-N 2 2 309.457 3.235 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606940 1092424471 /nfs/dbraw/zinc/42/44/71/1092424471.db2.gz JGCKHDPVPAMULC-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606940 1092424475 /nfs/dbraw/zinc/42/44/75/1092424475.db2.gz JGCKHDPVPAMULC-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606940 1092424485 /nfs/dbraw/zinc/42/44/85/1092424485.db2.gz JGCKHDPVPAMULC-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606940 1092424492 /nfs/dbraw/zinc/42/44/92/1092424492.db2.gz JGCKHDPVPAMULC-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP CC(C)[N@@H+](C[C@H](C)OCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208703867 1092466782 /nfs/dbraw/zinc/46/67/82/1092466782.db2.gz HMFUZOOTSKRPNX-KRWDZBQOSA-N 2 2 304.478 3.396 20 0 DGADLP CC(C)[N@H+](C[C@H](C)OCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208703867 1092466787 /nfs/dbraw/zinc/46/67/87/1092466787.db2.gz HMFUZOOTSKRPNX-KRWDZBQOSA-N 2 2 304.478 3.396 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117303 1092540727 /nfs/dbraw/zinc/54/07/27/1092540727.db2.gz XWDADKYMNBWQOE-LOUJCGABSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117303 1092540736 /nfs/dbraw/zinc/54/07/36/1092540736.db2.gz XWDADKYMNBWQOE-LOUJCGABSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169109019 1092553473 /nfs/dbraw/zinc/55/34/73/1092553473.db2.gz GDWLVJVGOKIDCR-OWZKRDHZSA-N 3 2 319.537 3.246 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001169109019 1092553485 /nfs/dbraw/zinc/55/34/85/1092553485.db2.gz GDWLVJVGOKIDCR-OWZKRDHZSA-N 3 2 319.537 3.246 20 0 DGADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c[nH+]cc(C)c1C ZINC001169173429 1092584953 /nfs/dbraw/zinc/58/49/53/1092584953.db2.gz HNUHEGDLEVFWCY-UHFFFAOYSA-N 2 2 309.413 3.461 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929472 1092594197 /nfs/dbraw/zinc/59/41/97/1092594197.db2.gz STNOTZZZLFRDNX-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929472 1092594206 /nfs/dbraw/zinc/59/42/06/1092594206.db2.gz STNOTZZZLFRDNX-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929472 1092594217 /nfs/dbraw/zinc/59/42/17/1092594217.db2.gz STNOTZZZLFRDNX-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929472 1092594220 /nfs/dbraw/zinc/59/42/20/1092594220.db2.gz STNOTZZZLFRDNX-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001169221889 1092598731 /nfs/dbraw/zinc/59/87/31/1092598731.db2.gz RRPSXGVIUWQWLQ-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001169244880 1092613942 /nfs/dbraw/zinc/61/39/42/1092613942.db2.gz XSUKRBIARJPAMM-UHFFFAOYSA-N 2 2 300.446 3.066 20 0 DGADLP C[C@H]1C[C@H]1C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209420179 1092767569 /nfs/dbraw/zinc/76/75/69/1092767569.db2.gz CLVQQLPWRCCMOW-QWRGUYRKSA-N 2 2 320.234 3.152 20 0 DGADLP CSc1cc(C)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC001276650754 1092828929 /nfs/dbraw/zinc/82/89/29/1092828929.db2.gz BIXZRTIZVJBDRI-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC001276650754 1092828936 /nfs/dbraw/zinc/82/89/36/1092828936.db2.gz BIXZRTIZVJBDRI-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC001276650754 1092828948 /nfs/dbraw/zinc/82/89/48/1092828948.db2.gz BIXZRTIZVJBDRI-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC001276650754 1092828958 /nfs/dbraw/zinc/82/89/58/1092828958.db2.gz BIXZRTIZVJBDRI-QGZVFWFLSA-N 2 2 305.491 3.030 20 0 DGADLP Clc1c[nH]c2cccc(C[NH+]3CCC([NH+]4CCC4)CC3)c12 ZINC001209660249 1092867576 /nfs/dbraw/zinc/86/75/76/1092867576.db2.gz IUZABPFCXGOPMU-UHFFFAOYSA-N 2 2 303.837 3.491 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695341 1093395997 /nfs/dbraw/zinc/39/59/97/1093395997.db2.gz ACMVDFQTYVZQPK-OTWHNJEPSA-N 2 2 320.521 3.290 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695341 1093396004 /nfs/dbraw/zinc/39/60/04/1093396004.db2.gz ACMVDFQTYVZQPK-OTWHNJEPSA-N 2 2 320.521 3.290 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695341 1093396012 /nfs/dbraw/zinc/39/60/12/1093396012.db2.gz ACMVDFQTYVZQPK-OTWHNJEPSA-N 2 2 320.521 3.290 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CC=C(CCCC(C)(C)O)CC1)C2 ZINC001276695341 1093396020 /nfs/dbraw/zinc/39/60/20/1093396020.db2.gz ACMVDFQTYVZQPK-OTWHNJEPSA-N 2 2 320.521 3.290 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001119929452 1094310306 /nfs/dbraw/zinc/31/03/06/1094310306.db2.gz UTQPIULVPRPODS-SOUVJXGZSA-N 2 2 310.401 3.341 20 0 DGADLP Cc1nc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)sc1C ZINC001119948854 1094319456 /nfs/dbraw/zinc/31/94/56/1094319456.db2.gz OZFIQGVTYMUREL-UHFFFAOYSA-N 2 2 307.438 3.250 20 0 DGADLP C[C@@]1(Br)C[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001120065767 1094369558 /nfs/dbraw/zinc/36/95/58/1094369558.db2.gz STOVYQVTZPSCHD-SWLSCSKDSA-N 2 2 324.266 3.131 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001135042428 1094373153 /nfs/dbraw/zinc/37/31/53/1094373153.db2.gz BJTIONVAJULMHQ-DZGCQCFKSA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001135042430 1094373716 /nfs/dbraw/zinc/37/37/16/1094373716.db2.gz BJTIONVAJULMHQ-UKRRQHHQSA-N 2 2 317.477 3.293 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC001120469063 1094435274 /nfs/dbraw/zinc/43/52/74/1094435274.db2.gz VMDQIANHUFQESS-MOPGFXCFSA-N 2 2 321.424 3.027 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC001217699980 1094475862 /nfs/dbraw/zinc/47/58/62/1094475862.db2.gz URRFYXLBHAYALN-CQSZACIVSA-N 2 2 314.776 3.016 20 0 DGADLP C[NH+](C)Cc1c(O[C@H]2CC[NH2+]CC2(F)F)ccc2ccccc21 ZINC001218006873 1094554862 /nfs/dbraw/zinc/55/48/62/1094554862.db2.gz PAEVSSHETFAZKB-KRWDZBQOSA-N 2 2 320.383 3.277 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCCOCC2)CC1 ZINC001170840523 1094625216 /nfs/dbraw/zinc/62/52/16/1094625216.db2.gz NHTXEQGMAOTVLA-GOSISDBHSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCCOCC2)CC1 ZINC001170840523 1094625222 /nfs/dbraw/zinc/62/52/22/1094625222.db2.gz NHTXEQGMAOTVLA-GOSISDBHSA-N 2 2 320.452 3.291 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218788790 1094868656 /nfs/dbraw/zinc/86/86/56/1094868656.db2.gz YROMQUHVWGMJJQ-RDJZCZTQSA-N 2 2 320.396 3.014 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001170911567 1094916550 /nfs/dbraw/zinc/91/65/50/1094916550.db2.gz YKIDSXFTJXAEBO-CVEARBPZSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001170911567 1094916560 /nfs/dbraw/zinc/91/65/60/1094916560.db2.gz YKIDSXFTJXAEBO-CVEARBPZSA-N 2 2 304.865 3.271 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(F)c3ccccc23)cc1 ZINC001219260635 1094955216 /nfs/dbraw/zinc/95/52/16/1094955216.db2.gz RZCQBKPXEWLHIC-KRWDZBQOSA-N 2 2 323.371 3.190 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000315130186 1095088499 /nfs/dbraw/zinc/08/84/99/1095088499.db2.gz MCFRDDTTZPVIBK-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000315130186 1095088513 /nfs/dbraw/zinc/08/85/13/1095088513.db2.gz MCFRDDTTZPVIBK-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171031861 1095163693 /nfs/dbraw/zinc/16/36/93/1095163693.db2.gz YLHKUYAPUMGLBG-GJZGRUSLSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171031861 1095163700 /nfs/dbraw/zinc/16/37/00/1095163700.db2.gz YLHKUYAPUMGLBG-GJZGRUSLSA-N 2 2 304.865 3.414 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000316685950 1095187154 /nfs/dbraw/zinc/18/71/54/1095187154.db2.gz GNTHVFZGRKYWCT-KSZLIROESA-N 2 2 302.462 3.126 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000316685950 1095187158 /nfs/dbraw/zinc/18/71/58/1095187158.db2.gz GNTHVFZGRKYWCT-KSZLIROESA-N 2 2 302.462 3.126 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276823352 1095298759 /nfs/dbraw/zinc/29/87/59/1095298759.db2.gz UCQZRUITCNPKIL-LJQANCHMSA-N 2 2 316.493 3.257 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276823352 1095298767 /nfs/dbraw/zinc/29/87/67/1095298767.db2.gz UCQZRUITCNPKIL-LJQANCHMSA-N 2 2 316.493 3.257 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276823352 1095298776 /nfs/dbraw/zinc/29/87/76/1095298776.db2.gz UCQZRUITCNPKIL-LJQANCHMSA-N 2 2 316.493 3.257 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276823352 1095298784 /nfs/dbraw/zinc/29/87/84/1095298784.db2.gz UCQZRUITCNPKIL-LJQANCHMSA-N 2 2 316.493 3.257 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OCCn1cc[nH+]c1 ZINC001222134660 1095449396 /nfs/dbraw/zinc/44/93/96/1095449396.db2.gz JKCJBEYIUSHVLG-SFHVURJKSA-N 2 2 313.445 3.200 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCn1cc[nH+]c1 ZINC001222134660 1095449399 /nfs/dbraw/zinc/44/93/99/1095449399.db2.gz JKCJBEYIUSHVLG-SFHVURJKSA-N 2 2 313.445 3.200 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222141024 1095454134 /nfs/dbraw/zinc/45/41/34/1095454134.db2.gz CJHOCHOXKJKHFS-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222141024 1095454140 /nfs/dbraw/zinc/45/41/40/1095454140.db2.gz CJHOCHOXKJKHFS-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H]1CCc3cc(Cl)ccc3C1)CC[NH2+]CC2 ZINC001171124021 1095462207 /nfs/dbraw/zinc/46/22/07/1095462207.db2.gz ZQYNKNLJWWMDEX-MRXNPFEDSA-N 2 2 315.848 3.263 20 0 DGADLP Clc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222161433 1095466705 /nfs/dbraw/zinc/46/67/05/1095466705.db2.gz OGHNTXGLQDPCKX-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222161433 1095466709 /nfs/dbraw/zinc/46/67/09/1095466709.db2.gz OGHNTXGLQDPCKX-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c2ccccn12 ZINC001222166676 1095471228 /nfs/dbraw/zinc/47/12/28/1095471228.db2.gz BOQDRFLIVCULKT-IBGZPJMESA-N 2 2 312.461 3.080 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c2ccccn12 ZINC001222166676 1095471231 /nfs/dbraw/zinc/47/12/31/1095471231.db2.gz BOQDRFLIVCULKT-IBGZPJMESA-N 2 2 312.461 3.080 20 0 DGADLP Clc1ccc2c(c1)C1(CN2)CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC001222173344 1095478562 /nfs/dbraw/zinc/47/85/62/1095478562.db2.gz TXLWNLRELWNROX-OAHLLOKOSA-N 2 2 319.880 3.241 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222192331 1095484127 /nfs/dbraw/zinc/48/41/27/1095484127.db2.gz VHSGKBCLDKGGEH-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222192331 1095484130 /nfs/dbraw/zinc/48/41/30/1095484130.db2.gz VHSGKBCLDKGGEH-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1CC ZINC001222243783 1095507904 /nfs/dbraw/zinc/50/79/04/1095507904.db2.gz OEUORHAEDZKAQF-LJQANCHMSA-N 2 2 302.462 3.366 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1CC ZINC001222243783 1095507916 /nfs/dbraw/zinc/50/79/16/1095507916.db2.gz OEUORHAEDZKAQF-LJQANCHMSA-N 2 2 302.462 3.366 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222271829 1095523125 /nfs/dbraw/zinc/52/31/25/1095523125.db2.gz KXQAFCUIHKMZLF-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222271829 1095523135 /nfs/dbraw/zinc/52/31/35/1095523135.db2.gz KXQAFCUIHKMZLF-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222277790 1095526410 /nfs/dbraw/zinc/52/64/10/1095526410.db2.gz RMAKVELVRAYNOF-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222277790 1095526413 /nfs/dbraw/zinc/52/64/13/1095526413.db2.gz RMAKVELVRAYNOF-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1nccc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222326300 1095553474 /nfs/dbraw/zinc/55/34/74/1095553474.db2.gz UEVIZKGRQDKLSZ-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1nccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1Cl ZINC001222326300 1095553486 /nfs/dbraw/zinc/55/34/86/1095553486.db2.gz UEVIZKGRQDKLSZ-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP c1ccc2c(c1)Cc1cc(C[NH+]3CC4(C3)CCC[NH2+]C4)ccc1-2 ZINC001222335495 1095556990 /nfs/dbraw/zinc/55/69/90/1095556990.db2.gz RBSQPLCHOUAUGZ-UHFFFAOYSA-N 2 2 304.437 3.443 20 0 DGADLP c1ccc(Cc2ccc(C[NH+]3CC4(C3)CCC[NH2+]C4)cc2)cc1 ZINC001222339904 1095560194 /nfs/dbraw/zinc/56/01/94/1095560194.db2.gz IZXJZSSTXGWDKH-UHFFFAOYSA-N 2 2 306.453 3.463 20 0 DGADLP C[C@@H](C[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360702 1095573588 /nfs/dbraw/zinc/57/35/88/1095573588.db2.gz SQQHAHBXURZEMN-LAUBAEHRSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@@H](C[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360702 1095573598 /nfs/dbraw/zinc/57/35/98/1095573598.db2.gz SQQHAHBXURZEMN-LAUBAEHRSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@H](C[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360703 1095573772 /nfs/dbraw/zinc/57/37/72/1095573772.db2.gz SQQHAHBXURZEMN-UTKZUKDTSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@H](C[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360703 1095573780 /nfs/dbraw/zinc/57/37/80/1095573780.db2.gz SQQHAHBXURZEMN-UTKZUKDTSA-N 2 2 324.468 3.398 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001222368975 1095575108 /nfs/dbraw/zinc/57/51/08/1095575108.db2.gz SBSPTCPCQPDPBE-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001222368975 1095575117 /nfs/dbraw/zinc/57/51/17/1095575117.db2.gz SBSPTCPCQPDPBE-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP Fc1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)c(F)c1 ZINC001222379764 1095581046 /nfs/dbraw/zinc/58/10/46/1095581046.db2.gz KEBFHCFHPPIQKH-UHFFFAOYSA-N 2 2 314.379 3.427 20 0 DGADLP c1ccc(CCc2ccccc2C[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC001222380215 1095582556 /nfs/dbraw/zinc/58/25/56/1095582556.db2.gz VSMISQUZDXPPIV-UHFFFAOYSA-N 2 2 306.453 3.267 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390312 1095587945 /nfs/dbraw/zinc/58/79/45/1095587945.db2.gz NBSLKOGEXSKQDP-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390312 1095587953 /nfs/dbraw/zinc/58/79/53/1095587953.db2.gz NBSLKOGEXSKQDP-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP Brc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420557 1095605084 /nfs/dbraw/zinc/60/50/84/1095605084.db2.gz FAXLXMYFWIFXDI-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420557 1095605090 /nfs/dbraw/zinc/60/50/90/1095605090.db2.gz FAXLXMYFWIFXDI-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116604081 1095614102 /nfs/dbraw/zinc/61/41/02/1095614102.db2.gz RSMXEQJQYRWVCB-GJZGRUSLSA-N 2 2 303.475 3.367 20 0 DGADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116604081 1095614109 /nfs/dbraw/zinc/61/41/09/1095614109.db2.gz RSMXEQJQYRWVCB-GJZGRUSLSA-N 2 2 303.475 3.367 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC001144364806 1095623878 /nfs/dbraw/zinc/62/38/78/1095623878.db2.gz WUETXXYZJYSYJF-UHFFFAOYSA-N 2 2 316.474 3.202 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465491 1095626950 /nfs/dbraw/zinc/62/69/50/1095626950.db2.gz SIALKGLQHBVELJ-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465491 1095626959 /nfs/dbraw/zinc/62/69/59/1095626959.db2.gz SIALKGLQHBVELJ-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620268 1095695868 /nfs/dbraw/zinc/69/58/68/1095695868.db2.gz KEKSFOFHXLBZBC-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620268 1095695874 /nfs/dbraw/zinc/69/58/74/1095695874.db2.gz KEKSFOFHXLBZBC-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112209 1095714414 /nfs/dbraw/zinc/71/44/14/1095714414.db2.gz HIMNECNYKFOUON-NVXWUHKLSA-N 2 2 304.482 3.353 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112209 1095714425 /nfs/dbraw/zinc/71/44/25/1095714425.db2.gz HIMNECNYKFOUON-NVXWUHKLSA-N 2 2 304.482 3.353 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713869 1095720752 /nfs/dbraw/zinc/72/07/52/1095720752.db2.gz BNVZOVARTNMRQK-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713869 1095720760 /nfs/dbraw/zinc/72/07/60/1095720760.db2.gz BNVZOVARTNMRQK-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713869 1095720765 /nfs/dbraw/zinc/72/07/65/1095720765.db2.gz BNVZOVARTNMRQK-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4ccc(Cl)cc34)C2)C1 ZINC001137713869 1095720770 /nfs/dbraw/zinc/72/07/70/1095720770.db2.gz BNVZOVARTNMRQK-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144624667 1095733737 /nfs/dbraw/zinc/73/37/37/1095733737.db2.gz PEZRRUOWOOLYDL-KRWDZBQOSA-N 2 2 320.440 3.213 20 0 DGADLP CCCc1occc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001339826385 1095748038 /nfs/dbraw/zinc/74/80/38/1095748038.db2.gz MFNMCXMMYBWUAW-UHFFFAOYSA-N 2 2 310.357 3.374 20 0 DGADLP CC(=O)Oc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001138037248 1095849158 /nfs/dbraw/zinc/84/91/58/1095849158.db2.gz PGOGDKQCBCVHAN-UHFFFAOYSA-N 2 2 316.445 3.062 20 0 DGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001171259611 1095954675 /nfs/dbraw/zinc/95/46/75/1095954675.db2.gz XTEKVYYKEXXEIC-QZTJIDSGSA-N 2 2 302.462 3.371 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)n1 ZINC001118558475 1096033868 /nfs/dbraw/zinc/03/38/68/1096033868.db2.gz PLJQEIONNZYQNA-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)n1 ZINC001118558475 1096033880 /nfs/dbraw/zinc/03/38/80/1096033880.db2.gz PLJQEIONNZYQNA-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1cc([NH2+]CC2CCSCC2)ccc1N1CC[NH+](C)CC1 ZINC001119296028 1096155988 /nfs/dbraw/zinc/15/59/88/1096155988.db2.gz KFTFUNXXRKFFLG-UHFFFAOYSA-N 2 2 319.518 3.302 20 0 DGADLP Cn1c[nH+]cc1CCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC001119540080 1096222975 /nfs/dbraw/zinc/22/29/75/1096222975.db2.gz YSFRSYHICVTUPB-UHFFFAOYSA-N 2 2 316.449 3.068 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001119630550 1096237527 /nfs/dbraw/zinc/23/75/27/1096237527.db2.gz HANBAMMJRPOGTO-GJZGRUSLSA-N 2 2 320.502 3.218 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001171339037 1096452239 /nfs/dbraw/zinc/45/22/39/1096452239.db2.gz YQLIYSHKUSRRLB-INIZCTEOSA-N 2 2 308.416 3.288 20 0 DGADLP COc1cc(N2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cc[nH+]1 ZINC001277075362 1096539626 /nfs/dbraw/zinc/53/96/26/1096539626.db2.gz JNGPZTJELKUZFF-IYBDPMFKSA-N 2 2 315.461 3.181 20 0 DGADLP COc1cc(N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc[nH+]1 ZINC001277075362 1096539634 /nfs/dbraw/zinc/53/96/34/1096539634.db2.gz JNGPZTJELKUZFF-IYBDPMFKSA-N 2 2 315.461 3.181 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171389423 1096646254 /nfs/dbraw/zinc/64/62/54/1096646254.db2.gz UMBKCCCFNCUZDL-INIZCTEOSA-N 2 2 317.383 3.356 20 0 DGADLP Cc1cc[nH+]c2cc(N3c4ccccc4OC[C@H]3C[NH3+])ccc12 ZINC001171392546 1096652025 /nfs/dbraw/zinc/65/20/25/1096652025.db2.gz FWLXQXCYYRDWCJ-OAHLLOKOSA-N 2 2 305.381 3.401 20 0 DGADLP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171411018 1096697729 /nfs/dbraw/zinc/69/77/29/1096697729.db2.gz ZOKRAMUDCGQVJO-SJORKVTESA-N 2 2 322.497 3.145 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171412448 1096700363 /nfs/dbraw/zinc/70/03/63/1096700363.db2.gz XEGQDDHKNQSXAT-HOTGVXAUSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171412448 1096700365 /nfs/dbraw/zinc/70/03/65/1096700365.db2.gz XEGQDDHKNQSXAT-HOTGVXAUSA-N 2 2 304.453 3.393 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001171467173 1096902631 /nfs/dbraw/zinc/90/26/31/1096902631.db2.gz QGOGOIWTFORJTF-HZPDHXFCSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001171467173 1096902635 /nfs/dbraw/zinc/90/26/35/1096902635.db2.gz QGOGOIWTFORJTF-HZPDHXFCSA-N 2 2 320.427 3.429 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171500391 1096912979 /nfs/dbraw/zinc/91/29/79/1096912979.db2.gz PCGANYAEIYCBQK-STQMWFEESA-N 2 2 312.379 3.035 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171500391 1096912983 /nfs/dbraw/zinc/91/29/83/1096912983.db2.gz PCGANYAEIYCBQK-STQMWFEESA-N 2 2 312.379 3.035 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCCc3nccnc32)CC1(C)C ZINC001171626932 1096938762 /nfs/dbraw/zinc/93/87/62/1096938762.db2.gz HSMZEFXFZTXHCW-HNNXBMFYSA-N 2 2 302.466 3.095 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)cc1 ZINC001171665037 1096942646 /nfs/dbraw/zinc/94/26/46/1096942646.db2.gz FGNMIDBUURJOEL-HKUYNNGSSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)cc1 ZINC001171665037 1096942649 /nfs/dbraw/zinc/94/26/49/1096942649.db2.gz FGNMIDBUURJOEL-HKUYNNGSSA-N 2 2 316.489 3.159 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)CC1(C)C ZINC001171641414 1096949501 /nfs/dbraw/zinc/94/95/01/1096949501.db2.gz GSDYJVNQPLUZBU-AVGNSLFASA-N 2 2 320.399 3.042 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)CC1(C)C ZINC001171641414 1096949507 /nfs/dbraw/zinc/94/95/07/1096949507.db2.gz GSDYJVNQPLUZBU-AVGNSLFASA-N 2 2 320.399 3.042 20 0 DGADLP C[N@H+](Cc1ccncn1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991527 1097016614 /nfs/dbraw/zinc/01/66/14/1097016614.db2.gz ZNHFZBPOMOSBSS-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP C[N@@H+](Cc1ccncn1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991527 1097016619 /nfs/dbraw/zinc/01/66/19/1097016619.db2.gz ZNHFZBPOMOSBSS-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1ccncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991527 1097016626 /nfs/dbraw/zinc/01/66/26/1097016626.db2.gz ZNHFZBPOMOSBSS-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1ccncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991527 1097016633 /nfs/dbraw/zinc/01/66/33/1097016633.db2.gz ZNHFZBPOMOSBSS-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171969558 1097019251 /nfs/dbraw/zinc/01/92/51/1097019251.db2.gz VDWITLPQKKMTEU-IBGZPJMESA-N 3 2 317.521 3.490 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171969558 1097019254 /nfs/dbraw/zinc/01/92/54/1097019254.db2.gz VDWITLPQKKMTEU-IBGZPJMESA-N 3 2 317.521 3.490 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969558 1097019261 /nfs/dbraw/zinc/01/92/61/1097019261.db2.gz VDWITLPQKKMTEU-IBGZPJMESA-N 3 2 317.521 3.490 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969558 1097019267 /nfs/dbraw/zinc/01/92/67/1097019267.db2.gz VDWITLPQKKMTEU-IBGZPJMESA-N 3 2 317.521 3.490 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001171973522 1097021458 /nfs/dbraw/zinc/02/14/58/1097021458.db2.gz KAYWGGYFVHUOFW-CYBMUJFWSA-N 2 2 312.379 3.416 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001171973522 1097021462 /nfs/dbraw/zinc/02/14/62/1097021462.db2.gz KAYWGGYFVHUOFW-CYBMUJFWSA-N 2 2 312.379 3.416 20 0 DGADLP CC[N@H+](C1COC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988496 1097029161 /nfs/dbraw/zinc/02/91/61/1097029161.db2.gz RZKMAMISARCPQD-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[N@@H+](C1COC1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988496 1097029165 /nfs/dbraw/zinc/02/91/65/1097029165.db2.gz RZKMAMISARCPQD-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[NH+](C1COC1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988496 1097029171 /nfs/dbraw/zinc/02/91/71/1097029171.db2.gz RZKMAMISARCPQD-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[NH+](C1COC1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988496 1097029175 /nfs/dbraw/zinc/02/91/75/1097029175.db2.gz RZKMAMISARCPQD-KRWDZBQOSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068964 1097045926 /nfs/dbraw/zinc/04/59/26/1097045926.db2.gz MJVCNSWBOQYVEA-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068964 1097045930 /nfs/dbraw/zinc/04/59/30/1097045930.db2.gz MJVCNSWBOQYVEA-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172068964 1097045935 /nfs/dbraw/zinc/04/59/35/1097045935.db2.gz MJVCNSWBOQYVEA-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172068964 1097045942 /nfs/dbraw/zinc/04/59/42/1097045942.db2.gz MJVCNSWBOQYVEA-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172116270 1097062537 /nfs/dbraw/zinc/06/25/37/1097062537.db2.gz ZTCNYWYRHWHOLP-FNLKRUPLSA-N 3 2 319.537 3.388 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172116270 1097062543 /nfs/dbraw/zinc/06/25/43/1097062543.db2.gz ZTCNYWYRHWHOLP-FNLKRUPLSA-N 3 2 319.537 3.388 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123495 1097066308 /nfs/dbraw/zinc/06/63/08/1097066308.db2.gz DKUDRTDYHPQTKY-UHZRXMQZSA-N 3 2 319.537 3.341 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123495 1097066313 /nfs/dbraw/zinc/06/63/13/1097066313.db2.gz DKUDRTDYHPQTKY-UHZRXMQZSA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123495 1097066318 /nfs/dbraw/zinc/06/63/18/1097066318.db2.gz DKUDRTDYHPQTKY-UHZRXMQZSA-N 3 2 319.537 3.341 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172200928 1097085629 /nfs/dbraw/zinc/08/56/29/1097085629.db2.gz LSNXXGGBZMBYJV-MSOLQXFVSA-N 2 2 310.466 3.089 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172200928 1097085634 /nfs/dbraw/zinc/08/56/34/1097085634.db2.gz LSNXXGGBZMBYJV-MSOLQXFVSA-N 2 2 310.466 3.089 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172324002 1097101768 /nfs/dbraw/zinc/10/17/68/1097101768.db2.gz KOODSGUHYGVDSO-SJORKVTESA-N 2 2 319.493 3.481 20 0 DGADLP CCOCC[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172416328 1097134396 /nfs/dbraw/zinc/13/43/96/1097134396.db2.gz GTJGCFXODMXXKX-QGZVFWFLSA-N 2 2 304.478 3.398 20 0 DGADLP CCOCC[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172416328 1097134398 /nfs/dbraw/zinc/13/43/98/1097134398.db2.gz GTJGCFXODMXXKX-QGZVFWFLSA-N 2 2 304.478 3.398 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172756263 1097230715 /nfs/dbraw/zinc/23/07/15/1097230715.db2.gz MYLOYJFQUVTGNN-HNNXBMFYSA-N 2 2 315.417 3.082 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172755136 1097230992 /nfs/dbraw/zinc/23/09/92/1097230992.db2.gz MBKSIGUUJKSGRI-OAHLLOKOSA-N 2 2 320.433 3.045 20 0 DGADLP CCc1[nH]c(CN2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)c(C)[nH+]1 ZINC001203252819 1097305502 /nfs/dbraw/zinc/30/55/02/1097305502.db2.gz ZOYITCXHDIGNHT-AWEZNQCLSA-N 2 2 304.482 3.119 20 0 DGADLP CCc1[nH]c(CN2CC[N@H+](C3CCCCC3)[C@@H](C)C2)c(C)[nH+]1 ZINC001203252819 1097305507 /nfs/dbraw/zinc/30/55/07/1097305507.db2.gz ZOYITCXHDIGNHT-AWEZNQCLSA-N 2 2 304.482 3.119 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046669 1097311197 /nfs/dbraw/zinc/31/11/97/1097311197.db2.gz UHIXIUKQMCCOPI-LJQANCHMSA-N 2 2 314.473 3.111 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046669 1097311201 /nfs/dbraw/zinc/31/12/01/1097311201.db2.gz UHIXIUKQMCCOPI-LJQANCHMSA-N 2 2 314.473 3.111 20 0 DGADLP CCOc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001231656001 1097804058 /nfs/dbraw/zinc/80/40/58/1097804058.db2.gz HTKIYJUHTUCKPN-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001231656001 1097804065 /nfs/dbraw/zinc/80/40/65/1097804065.db2.gz HTKIYJUHTUCKPN-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COCC[N@H+](Cc1ccc(CC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001231788745 1097842803 /nfs/dbraw/zinc/84/28/03/1097842803.db2.gz WJDAQKSWRHFZMG-UHFFFAOYSA-N 2 2 318.505 3.428 20 0 DGADLP COCC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001231788745 1097842807 /nfs/dbraw/zinc/84/28/07/1097842807.db2.gz WJDAQKSWRHFZMG-UHFFFAOYSA-N 2 2 318.505 3.428 20 0 DGADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cnc1F ZINC001231926050 1097893696 /nfs/dbraw/zinc/89/36/96/1097893696.db2.gz HEMHGWQQUZZGSJ-UHFFFAOYSA-N 2 2 310.376 3.347 20 0 DGADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cnc1F ZINC001231926050 1097893702 /nfs/dbraw/zinc/89/37/02/1097893702.db2.gz HEMHGWQQUZZGSJ-UHFFFAOYSA-N 2 2 310.376 3.347 20 0 DGADLP C[N@H+](Cc1cc2ccncc2[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232097525 1097938397 /nfs/dbraw/zinc/93/83/97/1097938397.db2.gz RKGVNLPTHHCCLT-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1cc2ccncc2[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232097525 1097938401 /nfs/dbraw/zinc/93/84/01/1097938401.db2.gz RKGVNLPTHHCCLT-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CC[N@H+](Cc1cccn1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001232233049 1097977685 /nfs/dbraw/zinc/97/76/85/1097977685.db2.gz XGRDUIQHURDAIK-UHFFFAOYSA-N 2 2 311.473 3.453 20 0 DGADLP CC[N@@H+](Cc1cccn1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001232233049 1097977691 /nfs/dbraw/zinc/97/76/91/1097977691.db2.gz XGRDUIQHURDAIK-UHFFFAOYSA-N 2 2 311.473 3.453 20 0 DGADLP CC(C)[N@H+](Cc1ccnc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001232242929 1097980248 /nfs/dbraw/zinc/98/02/48/1097980248.db2.gz JPVKPVPNHJGHLF-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1ccnc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001232242929 1097980252 /nfs/dbraw/zinc/98/02/52/1097980252.db2.gz JPVKPVPNHJGHLF-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP COCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001232298614 1097997712 /nfs/dbraw/zinc/99/77/12/1097997712.db2.gz PSWJXZXOARVUBP-UHFFFAOYSA-N 2 2 312.413 3.271 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC)nc2C)CC1 ZINC001232313796 1098002116 /nfs/dbraw/zinc/00/21/16/1098002116.db2.gz GVDXSVSIJJEXLN-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC)nc2C)CC1 ZINC001232313796 1098002121 /nfs/dbraw/zinc/00/21/21/1098002121.db2.gz GVDXSVSIJJEXLN-UHFFFAOYSA-N 2 2 319.493 3.485 20 0 DGADLP Cc1[nH]c(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)c[nH+]1 ZINC001232462850 1098045030 /nfs/dbraw/zinc/04/50/30/1098045030.db2.gz WASKXRAKOZAOCG-UFYCRDLUSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1[nH]c(CN2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)c[nH+]1 ZINC001232462850 1098045036 /nfs/dbraw/zinc/04/50/36/1098045036.db2.gz WASKXRAKOZAOCG-UFYCRDLUSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468910 1098048200 /nfs/dbraw/zinc/04/82/00/1098048200.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468910 1098048205 /nfs/dbraw/zinc/04/82/05/1098048205.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468910 1098048212 /nfs/dbraw/zinc/04/82/12/1098048212.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468910 1098048217 /nfs/dbraw/zinc/04/82/17/1098048217.db2.gz QUJAWMKCWZDWKW-RBUKOAKNSA-N 3 2 324.472 3.062 20 0 DGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(O)c2F)CC1 ZINC001232935872 1098175868 /nfs/dbraw/zinc/17/58/68/1098175868.db2.gz OSKDIICASKRSMB-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(O)c2F)CC1 ZINC001232935872 1098175871 /nfs/dbraw/zinc/17/58/71/1098175871.db2.gz OSKDIICASKRSMB-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ncc2O)CC1 ZINC001233040592 1098210185 /nfs/dbraw/zinc/21/01/85/1098210185.db2.gz MIRVLDGZJUFXLX-UHFFFAOYSA-N 2 2 311.857 3.137 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ncc2O)CC1 ZINC001233040592 1098210189 /nfs/dbraw/zinc/21/01/89/1098210189.db2.gz MIRVLDGZJUFXLX-UHFFFAOYSA-N 2 2 311.857 3.137 20 0 DGADLP O=c1cccc(C[NH2+][C@@]23CC[C@@](Nc4cccc[nH+]4)(C2)CCC3)[nH]1 ZINC001277752366 1098210380 /nfs/dbraw/zinc/21/03/80/1098210380.db2.gz HQUGKBIKEURBCM-RBUKOAKNSA-N 2 2 324.428 3.229 20 0 DGADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc[nH+]1 ZINC001277753254 1098211250 /nfs/dbraw/zinc/21/12/50/1098211250.db2.gz UMXHGVQYFNYTBK-GOOCMWNKSA-N 2 2 314.458 3.136 20 0 DGADLP c1cn2c(cccc2CN2CCC3(CCC[N@H+]3CC3CC3)CC2)[nH+]1 ZINC001233361306 1098301579 /nfs/dbraw/zinc/30/15/79/1098301579.db2.gz JPJJFJGEGCFQGU-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP c1cn2c(cccc2CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)[nH+]1 ZINC001233361306 1098301583 /nfs/dbraw/zinc/30/15/83/1098301583.db2.gz JPJJFJGEGCFQGU-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP CCc1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)[nH+]1 ZINC001176379615 1098324529 /nfs/dbraw/zinc/32/45/29/1098324529.db2.gz ICJFEMBQGUFHNR-UHFFFAOYSA-N 2 2 311.429 3.262 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001233442056 1098333210 /nfs/dbraw/zinc/33/32/10/1098333210.db2.gz CXJQTNCLZQKHCQ-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP CC[N@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234032080 1098480833 /nfs/dbraw/zinc/48/08/33/1098480833.db2.gz GDMVUYDDVQCRKO-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CC[N@@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234032080 1098480837 /nfs/dbraw/zinc/48/08/37/1098480837.db2.gz GDMVUYDDVQCRKO-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH]c(C)[nH+]c1C ZINC001234653815 1098633239 /nfs/dbraw/zinc/63/32/39/1098633239.db2.gz CEJOVUAZVPYQJY-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH]c(C)[nH+]c1C ZINC001234653815 1098633240 /nfs/dbraw/zinc/63/32/40/1098633240.db2.gz CEJOVUAZVPYQJY-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC001235026336 1098756378 /nfs/dbraw/zinc/75/63/78/1098756378.db2.gz NTLPBCXTQKMJRW-VQTJNVASSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC001235026336 1098756386 /nfs/dbraw/zinc/75/63/86/1098756386.db2.gz NTLPBCXTQKMJRW-VQTJNVASSA-N 2 2 322.452 3.368 20 0 DGADLP c1cn(C2CC[NH+](Cc3cccc(N4CCCC4)c3)CC2)c[nH+]1 ZINC001235095251 1098797980 /nfs/dbraw/zinc/79/79/80/1098797980.db2.gz HNOKSOVLGFEYGB-UHFFFAOYSA-N 2 2 310.445 3.320 20 0 DGADLP c1ccc(-c2ccccc2C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235117299 1098818829 /nfs/dbraw/zinc/81/88/29/1098818829.db2.gz KYZUWJMCMLWHMI-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2ccccc2C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235117299 1098818839 /nfs/dbraw/zinc/81/88/39/1098818839.db2.gz KYZUWJMCMLWHMI-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235121760 1098824378 /nfs/dbraw/zinc/82/43/78/1098824378.db2.gz VVZGGYHXYTXHBB-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235121760 1098824390 /nfs/dbraw/zinc/82/43/90/1098824390.db2.gz VVZGGYHXYTXHBB-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP COc1cccc2[nH]cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c21 ZINC001235180341 1098860701 /nfs/dbraw/zinc/86/07/01/1098860701.db2.gz VRXBLMYYBOHQAW-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP COc1cccc2[nH]cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c21 ZINC001235180341 1098860707 /nfs/dbraw/zinc/86/07/07/1098860707.db2.gz VRXBLMYYBOHQAW-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP Clc1cc2[nH]cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2cn1 ZINC001235180303 1098860847 /nfs/dbraw/zinc/86/08/47/1098860847.db2.gz VGYBUJUOXMZAEP-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1cc2[nH]cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2cn1 ZINC001235180303 1098860853 /nfs/dbraw/zinc/86/08/53/1098860853.db2.gz VGYBUJUOXMZAEP-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(F)c1 ZINC001235192141 1098867586 /nfs/dbraw/zinc/86/75/86/1098867586.db2.gz XLVNNMOIPBWLJT-UHFFFAOYSA-N 2 2 306.425 3.333 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(F)c1 ZINC001235192141 1098867594 /nfs/dbraw/zinc/86/75/94/1098867594.db2.gz XLVNNMOIPBWLJT-UHFFFAOYSA-N 2 2 306.425 3.333 20 0 DGADLP Fc1ccnc(Cl)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235235758 1098909302 /nfs/dbraw/zinc/90/93/02/1098909302.db2.gz ALSTZNRGAODAQC-HNNXBMFYSA-N 2 2 311.832 3.228 20 0 DGADLP CC(C)c1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1 ZINC001235256087 1098926625 /nfs/dbraw/zinc/92/66/25/1098926625.db2.gz PNEGFGVJXZQQAN-BPUTZDHNSA-N 2 2 323.278 3.494 20 0 DGADLP CC(C)c1cc(Br)cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1 ZINC001235256087 1098926635 /nfs/dbraw/zinc/92/66/35/1098926635.db2.gz PNEGFGVJXZQQAN-BPUTZDHNSA-N 2 2 323.278 3.494 20 0 DGADLP c1ccc(OCc2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235255199 1098927959 /nfs/dbraw/zinc/92/79/59/1098927959.db2.gz DCGDUTFNEPQQCV-AZUAARDMSA-N 2 2 308.425 3.059 20 0 DGADLP c1ccc(OCc2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235255199 1098927964 /nfs/dbraw/zinc/92/79/64/1098927964.db2.gz DCGDUTFNEPQQCV-AZUAARDMSA-N 2 2 308.425 3.059 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235257828 1098928902 /nfs/dbraw/zinc/92/89/02/1098928902.db2.gz JJGZAVMJAQCBBC-UYAOXDASSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235257828 1098928912 /nfs/dbraw/zinc/92/89/12/1098928912.db2.gz JJGZAVMJAQCBBC-UYAOXDASSA-N 2 2 308.425 3.156 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235260134 1098931139 /nfs/dbraw/zinc/93/11/39/1098931139.db2.gz NMKDPIUXRJIXFI-TZIWHRDSSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235260134 1098931149 /nfs/dbraw/zinc/93/11/49/1098931149.db2.gz NMKDPIUXRJIXFI-TZIWHRDSSA-N 2 2 322.452 3.368 20 0 DGADLP Fc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)c(F)c1 ZINC001235260099 1098931699 /nfs/dbraw/zinc/93/16/99/1098931699.db2.gz NCPXGZOHSWYRJR-KXBFYZLASA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)c(F)c1 ZINC001235260099 1098931706 /nfs/dbraw/zinc/93/17/06/1098931706.db2.gz NCPXGZOHSWYRJR-KXBFYZLASA-N 2 2 314.379 3.426 20 0 DGADLP CCc1cccc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)n1 ZINC001235265144 1098938360 /nfs/dbraw/zinc/93/83/60/1098938360.db2.gz SSGPRINOSUYKIK-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CCc1cccc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)n1 ZINC001235265144 1098938366 /nfs/dbraw/zinc/93/83/66/1098938366.db2.gz SSGPRINOSUYKIK-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1F ZINC001235400130 1098995431 /nfs/dbraw/zinc/99/54/31/1098995431.db2.gz HFQXRJIUXIBHHP-QZTJIDSGSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1F ZINC001235400130 1098995436 /nfs/dbraw/zinc/99/54/36/1098995436.db2.gz HFQXRJIUXIBHHP-QZTJIDSGSA-N 2 2 324.415 3.136 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407666 1099004131 /nfs/dbraw/zinc/00/41/31/1099004131.db2.gz SRUJDOLHDNGHAH-CABCVRRESA-N 2 2 316.342 3.229 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407666 1099004141 /nfs/dbraw/zinc/00/41/41/1099004141.db2.gz SRUJDOLHDNGHAH-CABCVRRESA-N 2 2 316.342 3.229 20 0 DGADLP CCc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235409258 1099008191 /nfs/dbraw/zinc/00/81/91/1099008191.db2.gz VUFBSAGMHZFLSM-DLBZAZTESA-N 2 2 310.844 3.426 20 0 DGADLP CCc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235409258 1099008205 /nfs/dbraw/zinc/00/82/05/1099008205.db2.gz VUFBSAGMHZFLSM-DLBZAZTESA-N 2 2 310.844 3.426 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686770 1099129064 /nfs/dbraw/zinc/12/90/64/1099129064.db2.gz BWBMJLJHIPWJKW-UKRRQHHQSA-N 2 2 316.367 3.286 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686770 1099129067 /nfs/dbraw/zinc/12/90/67/1099129067.db2.gz BWBMJLJHIPWJKW-UKRRQHHQSA-N 2 2 316.367 3.286 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708971 1099140219 /nfs/dbraw/zinc/14/02/19/1099140219.db2.gz DAUNSULHXDSNFR-UONOGXRCSA-N 2 2 317.260 3.322 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708971 1099140221 /nfs/dbraw/zinc/14/02/21/1099140221.db2.gz DAUNSULHXDSNFR-UONOGXRCSA-N 2 2 317.260 3.322 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712094 1099141682 /nfs/dbraw/zinc/14/16/82/1099141682.db2.gz YWMRICLUMUUMJE-UHFFFAOYSA-N 2 2 313.470 3.304 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712094 1099141687 /nfs/dbraw/zinc/14/16/87/1099141687.db2.gz YWMRICLUMUUMJE-UHFFFAOYSA-N 2 2 313.470 3.304 20 0 DGADLP COCCC[N@H+](Cc1ccccc1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC001235805283 1099187537 /nfs/dbraw/zinc/18/75/37/1099187537.db2.gz CVLWNQYKNVABQN-OAHLLOKOSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@@H+](Cc1ccccc1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC001235805283 1099187539 /nfs/dbraw/zinc/18/75/39/1099187539.db2.gz CVLWNQYKNVABQN-OAHLLOKOSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@H+](Cc1ccc(C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001235804541 1099187654 /nfs/dbraw/zinc/18/76/54/1099187654.db2.gz FEIZJJKMZSMITF-MRXNPFEDSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001235804541 1099187655 /nfs/dbraw/zinc/18/76/55/1099187655.db2.gz FEIZJJKMZSMITF-MRXNPFEDSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@H+](Cc1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235809573 1099189539 /nfs/dbraw/zinc/18/95/39/1099189539.db2.gz YVOBUUXEXWUEFD-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235809573 1099189542 /nfs/dbraw/zinc/18/95/42/1099189542.db2.gz YVOBUUXEXWUEFD-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP Cc1nc(F)ccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001235820538 1099195063 /nfs/dbraw/zinc/19/50/63/1099195063.db2.gz NTHXKAQTVAJDMG-UHFFFAOYSA-N 2 2 310.376 3.347 20 0 DGADLP Cc1nc(F)ccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001235820538 1099195067 /nfs/dbraw/zinc/19/50/67/1099195067.db2.gz NTHXKAQTVAJDMG-UHFFFAOYSA-N 2 2 310.376 3.347 20 0 DGADLP Fc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c(F)c1F ZINC001235888258 1099234751 /nfs/dbraw/zinc/23/47/51/1099234751.db2.gz MWPJWXFKMBPQNW-CYBMUJFWSA-N 2 2 316.342 3.207 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c2c(OC)cccc12 ZINC001235902945 1099246563 /nfs/dbraw/zinc/24/65/63/1099246563.db2.gz HAZUZIBQIBDSIK-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c2c(OC)cccc12 ZINC001235902945 1099246569 /nfs/dbraw/zinc/24/65/69/1099246569.db2.gz HAZUZIBQIBDSIK-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP c1ccc(-c2ccccc2C[N@H+](C2COC2)C2CC[NH2+]CC2)cc1 ZINC001235927710 1099263398 /nfs/dbraw/zinc/26/33/98/1099263398.db2.gz KIIDAJJJDHWFKU-UHFFFAOYSA-N 2 2 322.452 3.306 20 0 DGADLP c1ccc(-c2ccccc2C[N@@H+](C2COC2)C2CC[NH2+]CC2)cc1 ZINC001235927710 1099263403 /nfs/dbraw/zinc/26/34/03/1099263403.db2.gz KIIDAJJJDHWFKU-UHFFFAOYSA-N 2 2 322.452 3.306 20 0 DGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925733 1099263663 /nfs/dbraw/zinc/26/36/63/1099263663.db2.gz YWFURYOAXMNFIQ-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925733 1099263672 /nfs/dbraw/zinc/26/36/72/1099263672.db2.gz YWFURYOAXMNFIQ-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP C[N@@H+](Cc1c(F)cccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235950632 1099283178 /nfs/dbraw/zinc/28/31/78/1099283178.db2.gz JHAXQBKHBMIVJQ-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1c(F)cccc1C(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC001235950632 1099283185 /nfs/dbraw/zinc/28/31/85/1099283185.db2.gz JHAXQBKHBMIVJQ-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP Cc1c(Br)ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1C ZINC001235959174 1099292241 /nfs/dbraw/zinc/29/22/41/1099292241.db2.gz GDZBVSRGLLJWNR-MIFYACCESA-N 2 2 323.278 3.235 20 0 DGADLP Cc1c(Br)ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1C ZINC001235959174 1099292252 /nfs/dbraw/zinc/29/22/52/1099292252.db2.gz GDZBVSRGLLJWNR-MIFYACCESA-N 2 2 323.278 3.235 20 0 DGADLP CC[N@H+](Cc1ccc(OC)c2ccc(OC)cc12)[C@@H]1CC[NH2+]C1 ZINC001235973676 1099304966 /nfs/dbraw/zinc/30/49/66/1099304966.db2.gz FTMWATYTIAQCON-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP CC[N@@H+](Cc1ccc(OC)c2ccc(OC)cc12)[C@@H]1CC[NH2+]C1 ZINC001235973676 1099304977 /nfs/dbraw/zinc/30/49/77/1099304977.db2.gz FTMWATYTIAQCON-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP CC(C)Oc1ncc(Cl)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008383 1099330179 /nfs/dbraw/zinc/33/01/79/1099330179.db2.gz CXTLAELYBMMNRW-UHFFFAOYSA-N 2 2 323.868 3.098 20 0 DGADLP CC[N@H+](Cc1ccnc2c(Cl)cccc12)[C@H]1CCC[NH2+]C1 ZINC001236009037 1099330765 /nfs/dbraw/zinc/33/07/65/1099330765.db2.gz KOZJHZXNSAMGDF-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccnc2c(Cl)cccc12)[C@H]1CCC[NH2+]C1 ZINC001236009037 1099330775 /nfs/dbraw/zinc/33/07/75/1099330775.db2.gz KOZJHZXNSAMGDF-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC001236009046 1099331830 /nfs/dbraw/zinc/33/18/30/1099331830.db2.gz KQKZOXQBMALIRU-KRWDZBQOSA-N 2 2 313.420 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC001236009046 1099331841 /nfs/dbraw/zinc/33/18/41/1099331841.db2.gz KQKZOXQBMALIRU-KRWDZBQOSA-N 2 2 313.420 3.462 20 0 DGADLP Fc1ccc(C(F)(F)F)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236009849 1099334009 /nfs/dbraw/zinc/33/40/09/1099334009.db2.gz YHCADEXNYVWQCJ-UHFFFAOYSA-N 2 2 316.342 3.420 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)cc2)cc1 ZINC001236059253 1099359078 /nfs/dbraw/zinc/35/90/78/1099359078.db2.gz DAESKUVREIAFNP-LPHOPBHVSA-N 2 2 308.425 3.243 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)cc2)cc1 ZINC001236059253 1099359090 /nfs/dbraw/zinc/35/90/90/1099359090.db2.gz DAESKUVREIAFNP-LPHOPBHVSA-N 2 2 308.425 3.243 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059503 1099359430 /nfs/dbraw/zinc/35/94/30/1099359430.db2.gz IYYAHGANDLITHT-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059503 1099359440 /nfs/dbraw/zinc/35/94/40/1099359440.db2.gz IYYAHGANDLITHT-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC001236094519 1099384785 /nfs/dbraw/zinc/38/47/85/1099384785.db2.gz ZXFBLWVNYRQZQG-APWZRJJASA-N 2 2 310.441 3.353 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccc1OCc1ccccc1 ZINC001236094519 1099384798 /nfs/dbraw/zinc/38/47/98/1099384798.db2.gz ZXFBLWVNYRQZQG-APWZRJJASA-N 2 2 310.441 3.353 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103106 1099391018 /nfs/dbraw/zinc/39/10/18/1099391018.db2.gz WCTCNDQTCITOMW-RTBURBONSA-N 2 2 300.446 3.321 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103106 1099391030 /nfs/dbraw/zinc/39/10/30/1099391030.db2.gz WCTCNDQTCITOMW-RTBURBONSA-N 2 2 300.446 3.321 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001236145366 1099431615 /nfs/dbraw/zinc/43/16/15/1099431615.db2.gz ZUOCIQJTIDPSGH-UHFFFAOYSA-N 2 2 307.800 3.322 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001236145366 1099431618 /nfs/dbraw/zinc/43/16/18/1099431618.db2.gz ZUOCIQJTIDPSGH-UHFFFAOYSA-N 2 2 307.800 3.322 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ncccc3C(F)(F)F)cc2)C1 ZINC001236167473 1099442757 /nfs/dbraw/zinc/44/27/57/1099442757.db2.gz AURXIEAEKYJVHT-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ncccc3C(F)(F)F)cc2)C1 ZINC001236167473 1099442761 /nfs/dbraw/zinc/44/27/61/1099442761.db2.gz AURXIEAEKYJVHT-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP C[N@H+](Cc1ccccc1C1CCOCC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236204866 1099460666 /nfs/dbraw/zinc/46/06/66/1099460666.db2.gz CLBHOYVBXZOSQF-IBGZPJMESA-N 2 2 302.462 3.155 20 0 DGADLP C[N@@H+](Cc1ccccc1C1CCOCC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236204866 1099460673 /nfs/dbraw/zinc/46/06/73/1099460673.db2.gz CLBHOYVBXZOSQF-IBGZPJMESA-N 2 2 302.462 3.155 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@]1(C)CCC[NH2+]C1 ZINC001236206683 1099461734 /nfs/dbraw/zinc/46/17/34/1099461734.db2.gz KVPHGLZIIPTVNX-QGZVFWFLSA-N 2 2 318.852 3.100 20 0 DGADLP C[N@H+](Cc1ccccc1N1CCCCC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216572 1099471306 /nfs/dbraw/zinc/47/13/06/1099471306.db2.gz KGBDTLBUGLQICN-IEBWSBKVSA-N 2 2 301.478 3.379 20 0 DGADLP C[N@@H+](Cc1ccccc1N1CCCCC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216572 1099471313 /nfs/dbraw/zinc/47/13/13/1099471313.db2.gz KGBDTLBUGLQICN-IEBWSBKVSA-N 2 2 301.478 3.379 20 0 DGADLP C[N@H+](Cc1ccccc1N1CCCCC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216571 1099471887 /nfs/dbraw/zinc/47/18/87/1099471887.db2.gz KGBDTLBUGLQICN-HKUYNNGSSA-N 2 2 301.478 3.379 20 0 DGADLP C[N@@H+](Cc1ccccc1N1CCCCC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216571 1099471894 /nfs/dbraw/zinc/47/18/94/1099471894.db2.gz KGBDTLBUGLQICN-HKUYNNGSSA-N 2 2 301.478 3.379 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216810 1099473433 /nfs/dbraw/zinc/47/34/33/1099473433.db2.gz VLSPTQSTYULILG-SFHVURJKSA-N 2 2 324.509 3.497 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216810 1099473438 /nfs/dbraw/zinc/47/34/38/1099473438.db2.gz VLSPTQSTYULILG-SFHVURJKSA-N 2 2 324.509 3.497 20 0 DGADLP COc1c(F)cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217577 1099474697 /nfs/dbraw/zinc/47/46/97/1099474697.db2.gz PFQBLMVSWUHZHP-KGLIPLIRSA-N 2 2 300.805 3.189 20 0 DGADLP COc1c(F)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217577 1099474700 /nfs/dbraw/zinc/47/47/00/1099474700.db2.gz PFQBLMVSWUHZHP-KGLIPLIRSA-N 2 2 300.805 3.189 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1OCC1CC1 ZINC001236218821 1099475971 /nfs/dbraw/zinc/47/59/71/1099475971.db2.gz UDJOERJYYVBLJI-IAGOWNOFSA-N 2 2 318.461 3.186 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1OCC1CC1 ZINC001236218821 1099475977 /nfs/dbraw/zinc/47/59/77/1099475977.db2.gz UDJOERJYYVBLJI-IAGOWNOFSA-N 2 2 318.461 3.186 20 0 DGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cn3c(n2)C[NH2+]CC3)cc1C ZINC001236244554 1099499174 /nfs/dbraw/zinc/49/91/74/1099499174.db2.gz MQIKSCXEABMKBS-IBGZPJMESA-N 2 2 324.472 3.330 20 0 DGADLP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cn3c(n2)C[NH2+]CC3)cc1C ZINC001236244554 1099499185 /nfs/dbraw/zinc/49/91/85/1099499185.db2.gz MQIKSCXEABMKBS-IBGZPJMESA-N 2 2 324.472 3.330 20 0 DGADLP CCC[N@H+](Cc1cccc(Br)c1C)[C@@H]1CC[NH2+]C1 ZINC001236325052 1099538629 /nfs/dbraw/zinc/53/86/29/1099538629.db2.gz XNAJOMYQFKZKBH-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1cccc(Br)c1C)[C@@H]1CC[NH2+]C1 ZINC001236325052 1099538638 /nfs/dbraw/zinc/53/86/38/1099538638.db2.gz XNAJOMYQFKZKBH-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@H+](Cc1ccc(C(OCC)OCC)cc1)[C@H]1CC[NH2+]C1 ZINC001236324326 1099539716 /nfs/dbraw/zinc/53/97/16/1099539716.db2.gz PCXATNXWGAJYFR-SFHVURJKSA-N 2 2 320.477 3.332 20 0 DGADLP CCC[N@@H+](Cc1ccc(C(OCC)OCC)cc1)[C@H]1CC[NH2+]C1 ZINC001236324326 1099539726 /nfs/dbraw/zinc/53/97/26/1099539726.db2.gz PCXATNXWGAJYFR-SFHVURJKSA-N 2 2 320.477 3.332 20 0 DGADLP COCC[N@H+](CCCCCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236327801 1099541015 /nfs/dbraw/zinc/54/10/15/1099541015.db2.gz MBWZIDIVBDYTFR-LJQANCHMSA-N 2 2 304.478 3.100 20 0 DGADLP COCC[N@@H+](CCCCCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236327801 1099541025 /nfs/dbraw/zinc/54/10/25/1099541025.db2.gz MBWZIDIVBDYTFR-LJQANCHMSA-N 2 2 304.478 3.100 20 0 DGADLP COCC[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC001236330770 1099541831 /nfs/dbraw/zinc/54/18/31/1099541831.db2.gz UTZWJWDZIAFGBU-RYQLBKOJSA-N 2 2 322.880 3.144 20 0 DGADLP COCC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC001236330770 1099541845 /nfs/dbraw/zinc/54/18/45/1099541845.db2.gz UTZWJWDZIAFGBU-RYQLBKOJSA-N 2 2 322.880 3.144 20 0 DGADLP Nc1ccc(C2CC[NH+](C[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC001236335101 1099544557 /nfs/dbraw/zinc/54/45/57/1099544557.db2.gz FPFHPUBZLOFTMM-HXUWFJFHSA-N 2 2 309.457 3.018 20 0 DGADLP Fc1ccc(C[N@H+](CCC2CCOCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389144 1099569920 /nfs/dbraw/zinc/56/99/20/1099569920.db2.gz STNSSJPFMKAUQC-LJQANCHMSA-N 2 2 320.452 3.196 20 0 DGADLP Fc1ccc(C[N@@H+](CCC2CCOCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389144 1099569931 /nfs/dbraw/zinc/56/99/31/1099569931.db2.gz STNSSJPFMKAUQC-LJQANCHMSA-N 2 2 320.452 3.196 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419401 1099593804 /nfs/dbraw/zinc/59/38/04/1099593804.db2.gz ILXMRXZOYYFCPJ-QMTHXVAHSA-N 2 2 322.250 3.242 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419401 1099593813 /nfs/dbraw/zinc/59/38/13/1099593813.db2.gz ILXMRXZOYYFCPJ-QMTHXVAHSA-N 2 2 322.250 3.242 20 0 DGADLP COc1c(C)c[nH+]c(CN(CC(C)(C)C)C2CC[NH2+]CC2)c1C ZINC001236459420 1099623815 /nfs/dbraw/zinc/62/38/15/1099623815.db2.gz NNTVSAXRQIDAOO-UHFFFAOYSA-N 2 2 319.493 3.307 20 0 DGADLP CCOc1cc(O)cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236474026 1099632160 /nfs/dbraw/zinc/63/21/60/1099632160.db2.gz KTMNTHFLVIBWHR-MRXNPFEDSA-N 2 2 306.450 3.001 20 0 DGADLP CCOc1cc(O)cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236474026 1099632173 /nfs/dbraw/zinc/63/21/73/1099632173.db2.gz KTMNTHFLVIBWHR-MRXNPFEDSA-N 2 2 306.450 3.001 20 0 DGADLP CC(C)[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236528703 1099662916 /nfs/dbraw/zinc/66/29/16/1099662916.db2.gz FSTBXBKQUZGCGG-QGZVFWFLSA-N 2 2 313.420 3.460 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@H]1CC[NH2+]C1 ZINC001236528703 1099662923 /nfs/dbraw/zinc/66/29/23/1099662923.db2.gz FSTBXBKQUZGCGG-QGZVFWFLSA-N 2 2 313.420 3.460 20 0 DGADLP Fc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c2c(c1)CCCO2 ZINC001236600030 1099695768 /nfs/dbraw/zinc/69/57/68/1099695768.db2.gz FQHWWHOJZHFAHG-CQSZACIVSA-N 2 2 318.436 3.115 20 0 DGADLP Fc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c2c(c1)CCCO2 ZINC001236600030 1099695773 /nfs/dbraw/zinc/69/57/73/1099695773.db2.gz FQHWWHOJZHFAHG-CQSZACIVSA-N 2 2 318.436 3.115 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236606259 1099700501 /nfs/dbraw/zinc/70/05/01/1099700501.db2.gz SGUNUSDLGPLDMD-CYBMUJFWSA-N 2 2 324.415 3.328 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236606259 1099700515 /nfs/dbraw/zinc/70/05/15/1099700515.db2.gz SGUNUSDLGPLDMD-CYBMUJFWSA-N 2 2 324.415 3.328 20 0 DGADLP Fc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2c(c1)CCCO2 ZINC001236629008 1099713515 /nfs/dbraw/zinc/71/35/15/1099713515.db2.gz GDJFQCHFFSSOJD-UHFFFAOYSA-N 2 2 315.392 3.184 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC001236909744 1099871482 /nfs/dbraw/zinc/87/14/82/1099871482.db2.gz XIIJREBAGHKURI-SHTZXODSSA-N 2 2 319.836 3.261 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC001236909744 1099871489 /nfs/dbraw/zinc/87/14/89/1099871489.db2.gz XIIJREBAGHKURI-SHTZXODSSA-N 2 2 319.836 3.261 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@]1(C)O ZINC001236913006 1099872678 /nfs/dbraw/zinc/87/26/78/1099872678.db2.gz GMFMKFLHLTWVDM-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916810 1099876161 /nfs/dbraw/zinc/87/61/61/1099876161.db2.gz PLXOJMFLCUJDKT-MRXNPFEDSA-N 2 2 319.836 3.261 20 0 DGADLP CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916810 1099876170 /nfs/dbraw/zinc/87/61/70/1099876170.db2.gz PLXOJMFLCUJDKT-MRXNPFEDSA-N 2 2 319.836 3.261 20 0 DGADLP COCCC[N@H+](Cc1c(C)sc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001236946158 1099886091 /nfs/dbraw/zinc/88/60/91/1099886091.db2.gz MQYMPOKHCJQJGB-OAHLLOKOSA-N 2 2 318.486 3.410 20 0 DGADLP COCCC[N@@H+](Cc1c(C)sc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001236946158 1099886102 /nfs/dbraw/zinc/88/61/02/1099886102.db2.gz MQYMPOKHCJQJGB-OAHLLOKOSA-N 2 2 318.486 3.410 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203694038 1099903966 /nfs/dbraw/zinc/90/39/66/1099903966.db2.gz WPTRYVWKMBTYOO-GJZGRUSLSA-N 2 2 312.379 3.479 20 0 DGADLP COc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001237143977 1099992820 /nfs/dbraw/zinc/99/28/20/1099992820.db2.gz HXPRBXPMGWUTNC-SFHVURJKSA-N 2 2 302.462 3.419 20 0 DGADLP COc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001237143977 1099992829 /nfs/dbraw/zinc/99/28/29/1099992829.db2.gz HXPRBXPMGWUTNC-SFHVURJKSA-N 2 2 302.462 3.419 20 0 DGADLP c1cc2c(cc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)CCCO2 ZINC001237152986 1100000908 /nfs/dbraw/zinc/00/09/08/1100000908.db2.gz AIPZEJIUGOXNKK-GOSISDBHSA-N 2 2 300.446 3.118 20 0 DGADLP c1cc2c(cc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1)CCCO2 ZINC001237152986 1100000916 /nfs/dbraw/zinc/00/09/16/1100000916.db2.gz AIPZEJIUGOXNKK-GOSISDBHSA-N 2 2 300.446 3.118 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237153050 1100001653 /nfs/dbraw/zinc/00/16/53/1100001653.db2.gz BWRFBTJPFFIDDQ-GOSISDBHSA-N 2 2 310.445 3.183 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237153050 1100001659 /nfs/dbraw/zinc/00/16/59/1100001659.db2.gz BWRFBTJPFFIDDQ-GOSISDBHSA-N 2 2 310.445 3.183 20 0 DGADLP FC(F)COc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237153789 1100003117 /nfs/dbraw/zinc/00/31/17/1100003117.db2.gz HUJAKADOXGVOGX-MRXNPFEDSA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237153789 1100003126 /nfs/dbraw/zinc/00/31/26/1100003126.db2.gz HUJAKADOXGVOGX-MRXNPFEDSA-N 2 2 324.415 3.437 20 0 DGADLP Fc1ccc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237156538 1100005177 /nfs/dbraw/zinc/00/51/77/1100005177.db2.gz XFUFCHMEZJUMGL-MRXNPFEDSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1ccc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237156538 1100005184 /nfs/dbraw/zinc/00/51/84/1100005184.db2.gz XFUFCHMEZJUMGL-MRXNPFEDSA-N 2 2 301.409 3.414 20 0 DGADLP c1nc2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2s1 ZINC001237158572 1100006997 /nfs/dbraw/zinc/00/69/97/1100006997.db2.gz ZWDMLDWGWSPNGL-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2s1 ZINC001237158572 1100007004 /nfs/dbraw/zinc/00/70/04/1100007004.db2.gz ZWDMLDWGWSPNGL-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1cc(-c2cccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2)n[nH]1 ZINC001237161655 1100009380 /nfs/dbraw/zinc/00/93/80/1100009380.db2.gz PMFMGBQOISDUQU-SFHVURJKSA-N 2 2 310.445 3.183 20 0 DGADLP c1cc(-c2cccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2)n[nH]1 ZINC001237161655 1100009387 /nfs/dbraw/zinc/00/93/87/1100009387.db2.gz PMFMGBQOISDUQU-SFHVURJKSA-N 2 2 310.445 3.183 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c(F)c2C)CC1 ZINC001237165075 1100011402 /nfs/dbraw/zinc/01/14/02/1100011402.db2.gz GTOFDRFLHDUQQT-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001237263218 1100050308 /nfs/dbraw/zinc/05/03/08/1100050308.db2.gz AXWILJTVIBGPPN-SJORKVTESA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001237263218 1100050317 /nfs/dbraw/zinc/05/03/17/1100050317.db2.gz AXWILJTVIBGPPN-SJORKVTESA-N 2 2 302.462 3.405 20 0 DGADLP CC[NH2+]CC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237257630 1100050410 /nfs/dbraw/zinc/05/04/10/1100050410.db2.gz IZHKYXJUGUGILQ-HNNXBMFYSA-N 2 2 311.267 3.066 20 0 DGADLP CC[NH2+]CC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237257630 1100050413 /nfs/dbraw/zinc/05/04/13/1100050413.db2.gz IZHKYXJUGUGILQ-HNNXBMFYSA-N 2 2 311.267 3.066 20 0 DGADLP C[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H]1CCCC[NH2+]1 ZINC001237265066 1100052659 /nfs/dbraw/zinc/05/26/59/1100052659.db2.gz LKLYHHRVFUNSPX-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H]1CCCC[NH2+]1 ZINC001237265066 1100052666 /nfs/dbraw/zinc/05/26/66/1100052666.db2.gz LKLYHHRVFUNSPX-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP Cc1cccnc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277684 1100056954 /nfs/dbraw/zinc/05/69/54/1100056954.db2.gz QVWZJRCPSPQELB-UHFFFAOYSA-N 2 2 307.441 3.027 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2ccc3c(c2)NCC3)CC1 ZINC001237376164 1100098982 /nfs/dbraw/zinc/09/89/82/1100098982.db2.gz QNXCJRYYSTVLEU-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237395112 1100109223 /nfs/dbraw/zinc/10/92/23/1100109223.db2.gz XDAHFLLRYHESAR-CZUORRHYSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237395112 1100109228 /nfs/dbraw/zinc/10/92/28/1100109228.db2.gz XDAHFLLRYHESAR-CZUORRHYSA-N 2 2 323.278 3.331 20 0 DGADLP c1csc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)n2)c1 ZINC001237413064 1100117184 /nfs/dbraw/zinc/11/71/84/1100117184.db2.gz IWWBAEMSESOXOM-GDBMZVCRSA-N 2 2 313.470 3.384 20 0 DGADLP c1csc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)n2)c1 ZINC001237413064 1100117195 /nfs/dbraw/zinc/11/71/95/1100117195.db2.gz IWWBAEMSESOXOM-GDBMZVCRSA-N 2 2 313.470 3.384 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237412673 1100117776 /nfs/dbraw/zinc/11/77/76/1100117776.db2.gz HEDKATRTGYMFSN-ZBFHGGJFSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237412673 1100117781 /nfs/dbraw/zinc/11/77/81/1100117781.db2.gz HEDKATRTGYMFSN-ZBFHGGJFSA-N 2 2 323.278 3.331 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(F)F ZINC001237415695 1100119120 /nfs/dbraw/zinc/11/91/20/1100119120.db2.gz QTJBJHOEPGWGQI-JSGCOSHPSA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1OC(F)F ZINC001237415695 1100119127 /nfs/dbraw/zinc/11/91/27/1100119127.db2.gz QTJBJHOEPGWGQI-JSGCOSHPSA-N 2 2 314.351 3.001 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418264 1100121882 /nfs/dbraw/zinc/12/18/82/1100121882.db2.gz XOOXKSAVPIIGRR-BBRMVZONSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418264 1100121886 /nfs/dbraw/zinc/12/18/86/1100121886.db2.gz XOOXKSAVPIIGRR-BBRMVZONSA-N 2 2 323.278 3.331 20 0 DGADLP Clc1[nH]c2cnccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001237458425 1100128983 /nfs/dbraw/zinc/12/89/83/1100128983.db2.gz KTDWMTLICGYRPF-UHFFFAOYSA-N 2 2 315.808 3.250 20 0 DGADLP COc1c(C)cccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001237505487 1100151481 /nfs/dbraw/zinc/15/14/81/1100151481.db2.gz GHXYGWPVDOLSAS-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP COc1c(C)cccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001237505487 1100151491 /nfs/dbraw/zinc/15/14/91/1100151491.db2.gz GHXYGWPVDOLSAS-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP COc1c(C)cccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001237513689 1100155336 /nfs/dbraw/zinc/15/53/36/1100155336.db2.gz QBVBIGHXTHQXSB-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1OCC2 ZINC001237755593 1100240530 /nfs/dbraw/zinc/24/05/30/1100240530.db2.gz SFJLWIUIUYHDOU-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1OCC2 ZINC001237755593 1100240536 /nfs/dbraw/zinc/24/05/36/1100240536.db2.gz SFJLWIUIUYHDOU-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC001237881452 1100280115 /nfs/dbraw/zinc/28/01/15/1100280115.db2.gz RULNMPITCBOXHW-UHFFFAOYSA-N 3 2 313.489 3.214 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC001237881452 1100280128 /nfs/dbraw/zinc/28/01/28/1100280128.db2.gz RULNMPITCBOXHW-UHFFFAOYSA-N 3 2 313.489 3.214 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001238050664 1100342578 /nfs/dbraw/zinc/34/25/78/1100342578.db2.gz HLHPOGJVLNYJMI-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001238050664 1100342585 /nfs/dbraw/zinc/34/25/85/1100342585.db2.gz HLHPOGJVLNYJMI-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP c1[nH+]cn2c1cccc2C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001238104082 1100360949 /nfs/dbraw/zinc/36/09/49/1100360949.db2.gz SGLFLEZDROPLJB-UHFFFAOYSA-N 2 2 307.397 3.378 20 0 DGADLP CCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001278218214 1100416547 /nfs/dbraw/zinc/41/65/47/1100416547.db2.gz XVQNNTXBHPUCOX-BEFAXECRSA-N 2 2 324.428 3.075 20 0 DGADLP CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001278218214 1100416549 /nfs/dbraw/zinc/41/65/49/1100416549.db2.gz XVQNNTXBHPUCOX-BEFAXECRSA-N 2 2 324.428 3.075 20 0 DGADLP CCOc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC001238500516 1100461346 /nfs/dbraw/zinc/46/13/46/1100461346.db2.gz JSAAICWOJBSTDV-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP CCOc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC001238500516 1100461350 /nfs/dbraw/zinc/46/13/50/1100461350.db2.gz JSAAICWOJBSTDV-UHFFFAOYSA-N 2 2 318.383 3.488 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cnc1-c1ccccc1 ZINC001238616898 1100484020 /nfs/dbraw/zinc/48/40/20/1100484020.db2.gz GVJOSJFLUXCXEC-TZIWHRDSSA-N 2 2 321.468 3.441 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cnc1-c1ccccc1 ZINC001238616898 1100484024 /nfs/dbraw/zinc/48/40/24/1100484024.db2.gz GVJOSJFLUXCXEC-TZIWHRDSSA-N 2 2 321.468 3.441 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Cl)n1 ZINC001238725027 1100513481 /nfs/dbraw/zinc/51/34/81/1100513481.db2.gz YXKIDVGXXCRVFU-HIFRSBDPSA-N 2 2 307.869 3.242 20 0 DGADLP CC(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Cl)n1 ZINC001238725027 1100513489 /nfs/dbraw/zinc/51/34/89/1100513489.db2.gz YXKIDVGXXCRVFU-HIFRSBDPSA-N 2 2 307.869 3.242 20 0 DGADLP CC(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(Cl)n1 ZINC001238725027 1100513494 /nfs/dbraw/zinc/51/34/94/1100513494.db2.gz YXKIDVGXXCRVFU-HIFRSBDPSA-N 2 2 307.869 3.242 20 0 DGADLP CC(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(Cl)n1 ZINC001238725027 1100513500 /nfs/dbraw/zinc/51/35/00/1100513500.db2.gz YXKIDVGXXCRVFU-HIFRSBDPSA-N 2 2 307.869 3.242 20 0 DGADLP CC(C)Oc1c(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc(F)c1F ZINC001238745750 1100517192 /nfs/dbraw/zinc/51/71/92/1100517192.db2.gz DTMFXZWVKZXSFD-UHFFFAOYSA-N 2 2 324.415 3.280 20 0 DGADLP CCOC(=[NH2+])c1ccc(-c2cnn(CC[NH+](CC)CC)c2)cc1 ZINC001239214250 1100600150 /nfs/dbraw/zinc/60/01/50/1100600150.db2.gz HKTIPVQUHNAWQB-UHFFFAOYSA-N 2 2 314.433 3.254 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001193092742 1100709595 /nfs/dbraw/zinc/70/95/95/1100709595.db2.gz HDXNHQHXRNJHJC-SFHVURJKSA-N 2 2 318.505 3.237 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001193092742 1100709598 /nfs/dbraw/zinc/70/95/98/1100709598.db2.gz HDXNHQHXRNJHJC-SFHVURJKSA-N 2 2 318.505 3.237 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4cnccc43)cc2)C1 ZINC001240010676 1100832186 /nfs/dbraw/zinc/83/21/86/1100832186.db2.gz UPULMFPUJDEADL-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4cnccc43)cc2)C1 ZINC001240010676 1100832193 /nfs/dbraw/zinc/83/21/93/1100832193.db2.gz UPULMFPUJDEADL-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc(F)c1F ZINC001240663123 1101086470 /nfs/dbraw/zinc/08/64/70/1101086470.db2.gz FDGZFZZAYJIYGE-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc(F)c1F ZINC001240663123 1101086478 /nfs/dbraw/zinc/08/64/78/1101086478.db2.gz FDGZFZZAYJIYGE-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441082 1101134579 /nfs/dbraw/zinc/13/45/79/1101134579.db2.gz SOUYZTONXRYBOM-ZWKOTPCHSA-N 2 2 308.510 3.192 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441082 1101134581 /nfs/dbraw/zinc/13/45/81/1101134581.db2.gz SOUYZTONXRYBOM-ZWKOTPCHSA-N 2 2 308.510 3.192 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cncc(C(F)(F)F)c3)cc2)C1 ZINC001240793866 1101140481 /nfs/dbraw/zinc/14/04/81/1101140481.db2.gz NSUXNUXMFLNBFE-INIZCTEOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cncc(C(F)(F)F)c3)cc2)C1 ZINC001240793866 1101140485 /nfs/dbraw/zinc/14/04/85/1101140485.db2.gz NSUXNUXMFLNBFE-INIZCTEOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cncc(C(F)(F)F)c3)cc2)C1 ZINC001240793867 1101140581 /nfs/dbraw/zinc/14/05/81/1101140581.db2.gz NSUXNUXMFLNBFE-MRXNPFEDSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cncc(C(F)(F)F)c3)cc2)C1 ZINC001240793867 1101140585 /nfs/dbraw/zinc/14/05/85/1101140585.db2.gz NSUXNUXMFLNBFE-MRXNPFEDSA-N 2 2 321.346 3.300 20 0 DGADLP Cc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)c2[nH+]ccn2c1 ZINC001240852369 1101157217 /nfs/dbraw/zinc/15/72/17/1101157217.db2.gz SIBDFOJYFVQBKT-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205787543 1101396871 /nfs/dbraw/zinc/39/68/71/1101396871.db2.gz HWRWVGYIHNWJGT-AWEZNQCLSA-N 2 2 312.404 3.280 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205787543 1101396883 /nfs/dbraw/zinc/39/68/83/1101396883.db2.gz HWRWVGYIHNWJGT-AWEZNQCLSA-N 2 2 312.404 3.280 20 0 DGADLP Oc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203861188 1101407959 /nfs/dbraw/zinc/40/79/59/1101407959.db2.gz RMUKIPNZDAGYBO-HOTGVXAUSA-N 2 2 314.454 3.018 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001241476963 1101493255 /nfs/dbraw/zinc/49/32/55/1101493255.db2.gz RJTNKDPRRUGZKM-HNNXBMFYSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001241476963 1101493260 /nfs/dbraw/zinc/49/32/60/1101493260.db2.gz RJTNKDPRRUGZKM-HNNXBMFYSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc2c[nH]nc21 ZINC001241517447 1101530072 /nfs/dbraw/zinc/53/00/72/1101530072.db2.gz WFFKTSYXFHVIGL-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc2c[nH]nc21 ZINC001241517447 1101530081 /nfs/dbraw/zinc/53/00/81/1101530081.db2.gz WFFKTSYXFHVIGL-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241524115 1101534318 /nfs/dbraw/zinc/53/43/18/1101534318.db2.gz SRZVARUSTUVNPS-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc2n[nH]cc2c1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241524115 1101534328 /nfs/dbraw/zinc/53/43/28/1101534328.db2.gz SRZVARUSTUVNPS-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3cn4cc[nH+]c4cc3C)cc2)CC1 ZINC001241742789 1101672798 /nfs/dbraw/zinc/67/27/98/1101672798.db2.gz GXQZKNYRQRLSFC-UHFFFAOYSA-N 2 2 320.440 3.452 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cnn(-c3ccccc3)c2)C1 ZINC001241757048 1101687100 /nfs/dbraw/zinc/68/71/00/1101687100.db2.gz DWGXHNKNCQXFTF-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cnn(-c3ccccc3)c2)C1 ZINC001241757048 1101687104 /nfs/dbraw/zinc/68/71/04/1101687104.db2.gz DWGXHNKNCQXFTF-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cnn(-c3ccccc3)c2)C1 ZINC001241757049 1101687531 /nfs/dbraw/zinc/68/75/31/1101687531.db2.gz DWGXHNKNCQXFTF-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cnn(-c3ccccc3)c2)C1 ZINC001241757049 1101687538 /nfs/dbraw/zinc/68/75/38/1101687538.db2.gz DWGXHNKNCQXFTF-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cnn(-c4ccccc4)c3)c2)C1 ZINC001241757405 1101688428 /nfs/dbraw/zinc/68/84/28/1101688428.db2.gz QCPDNVRCXRNGQC-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cnn(-c4ccccc4)c3)c2)C1 ZINC001241757405 1101688433 /nfs/dbraw/zinc/68/84/33/1101688433.db2.gz QCPDNVRCXRNGQC-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP C[C@@H]1C[C@H](C)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001197902503 1101694517 /nfs/dbraw/zinc/69/45/17/1101694517.db2.gz YYWJTHIXMWPXOK-QZTJIDSGSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001197902503 1101694525 /nfs/dbraw/zinc/69/45/25/1101694525.db2.gz YYWJTHIXMWPXOK-QZTJIDSGSA-N 2 2 316.489 3.387 20 0 DGADLP FC(F)Oc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241951522 1101799289 /nfs/dbraw/zinc/79/92/89/1101799289.db2.gz DUOHZWYFKQZHER-UHFFFAOYSA-N 2 2 315.323 3.290 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1F ZINC001242031163 1101867608 /nfs/dbraw/zinc/86/76/08/1101867608.db2.gz AMZGUBNCSYAYTD-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1F ZINC001242031163 1101867620 /nfs/dbraw/zinc/86/76/20/1101867620.db2.gz AMZGUBNCSYAYTD-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)OCCCO4)cc2)C1 ZINC001242208380 1101980204 /nfs/dbraw/zinc/98/02/04/1101980204.db2.gz XSCCRLQSJJWZOH-SFHVURJKSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)OCCCO4)cc2)C1 ZINC001242208380 1101980212 /nfs/dbraw/zinc/98/02/12/1101980212.db2.gz XSCCRLQSJJWZOH-SFHVURJKSA-N 2 2 324.424 3.048 20 0 DGADLP COc1cccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1Cl ZINC001198771544 1101982004 /nfs/dbraw/zinc/98/20/04/1101982004.db2.gz WYMUEMSGDCFCTI-UHFFFAOYSA-N 2 2 319.836 3.462 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc4cccnc4c3)ccn12 ZINC001242251481 1102008206 /nfs/dbraw/zinc/00/82/06/1102008206.db2.gz YGYOSSYXBCRYOJ-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001199085184 1102061110 /nfs/dbraw/zinc/06/11/10/1102061110.db2.gz JHOQYCLITPPOHR-HUUCEWRRSA-N 2 2 310.869 3.237 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC001199208765 1102084202 /nfs/dbraw/zinc/08/42/02/1102084202.db2.gz TZYRLNXKNUQZIT-SNVBAGLBSA-N 2 2 315.751 3.316 20 0 DGADLP Clc1cc2c(c(C[NH2+]C3CC[NH+](CC4CC4)CC3)c1)OCC2 ZINC001199413823 1102136506 /nfs/dbraw/zinc/13/65/06/1102136506.db2.gz QYJRWRXDFOENLN-UHFFFAOYSA-N 2 2 320.864 3.239 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cnc4sccc4c3)cc2)C1 ZINC001242680804 1102282352 /nfs/dbraw/zinc/28/23/52/1102282352.db2.gz XEPOJWHPYIVLHO-QGZVFWFLSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cnc4sccc4c3)cc2)C1 ZINC001242680804 1102282364 /nfs/dbraw/zinc/28/23/64/1102282364.db2.gz XEPOJWHPYIVLHO-QGZVFWFLSA-N 2 2 309.438 3.496 20 0 DGADLP CCc1cc(OC)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242698606 1102291642 /nfs/dbraw/zinc/29/16/42/1102291642.db2.gz SWAZRIJGSYWPPK-UHFFFAOYSA-N 2 2 307.397 3.259 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cs1 ZINC001205904412 1102449384 /nfs/dbraw/zinc/44/93/84/1102449384.db2.gz UXXCAUZEIBNCPO-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cs1 ZINC001205904412 1102449390 /nfs/dbraw/zinc/44/93/90/1102449390.db2.gz UXXCAUZEIBNCPO-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205914202 1102532844 /nfs/dbraw/zinc/53/28/44/1102532844.db2.gz LLFOAOVCROSKKP-DGCLKSJQSA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Cl ZINC001205914202 1102532856 /nfs/dbraw/zinc/53/28/56/1102532856.db2.gz LLFOAOVCROSKKP-DGCLKSJQSA-N 2 2 314.832 3.437 20 0 DGADLP COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc(N)[nH+]c1 ZINC001201287129 1102535733 /nfs/dbraw/zinc/53/57/33/1102535733.db2.gz UXVFGNLUZZGFCR-UHFFFAOYSA-N 2 2 312.417 3.054 20 0 DGADLP CCCOc1cccc(F)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243265791 1102622942 /nfs/dbraw/zinc/62/29/42/1102622942.db2.gz RFGXGYFMTAGWPE-UHFFFAOYSA-N 2 2 315.392 3.086 20 0 DGADLP CCC[C@@H](C)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201542637 1102630224 /nfs/dbraw/zinc/63/02/24/1102630224.db2.gz KWMQSJRDZGJOHC-OAHLLOKOSA-N 2 2 306.498 3.320 20 0 DGADLP CCC[C@@H](C)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201542637 1102630231 /nfs/dbraw/zinc/63/02/31/1102630231.db2.gz KWMQSJRDZGJOHC-OAHLLOKOSA-N 2 2 306.498 3.320 20 0 DGADLP CSCCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001201696766 1102691294 /nfs/dbraw/zinc/69/12/94/1102691294.db2.gz RMVRYCNLUUFZIL-UHFFFAOYSA-N 2 2 310.482 3.475 20 0 DGADLP CSCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001201696766 1102691299 /nfs/dbraw/zinc/69/12/99/1102691299.db2.gz RMVRYCNLUUFZIL-UHFFFAOYSA-N 2 2 310.482 3.475 20 0 DGADLP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1Cl ZINC001243374800 1102691714 /nfs/dbraw/zinc/69/17/14/1102691714.db2.gz LJORTUDUNPWPNT-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1Cl ZINC001243374800 1102691724 /nfs/dbraw/zinc/69/17/24/1102691724.db2.gz LJORTUDUNPWPNT-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP CCCC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201712633 1102698878 /nfs/dbraw/zinc/69/88/78/1102698878.db2.gz QUIRWTQTNKKTDF-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP COc1c(F)ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001243510753 1102766366 /nfs/dbraw/zinc/76/63/66/1102766366.db2.gz LSRXCMCQRGSPQT-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001243510753 1102766378 /nfs/dbraw/zinc/76/63/78/1102766378.db2.gz LSRXCMCQRGSPQT-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP OC1C[NH+](Cc2ccc(-c3cccc(C4=[NH+]CCC4)c3)cc2)C1 ZINC001243639010 1102872434 /nfs/dbraw/zinc/87/24/34/1102872434.db2.gz BCKHIDAWTAKEAB-UHFFFAOYSA-N 2 2 306.409 3.113 20 0 DGADLP Cc1cn2c(cccc2-c2cccc(N3CC[NH+](C)CC3)c2)[nH+]1 ZINC001243668523 1102902115 /nfs/dbraw/zinc/90/21/15/1102902115.db2.gz HUHMUQBIOFNZNT-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccccc3N3CCCC3)ccn12 ZINC001244179005 1103257732 /nfs/dbraw/zinc/25/77/32/1103257732.db2.gz IRKQWVXVZNWWSP-UHFFFAOYSA-N 2 2 318.424 3.288 20 0 DGADLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)no1 ZINC001276310912 1103478953 /nfs/dbraw/zinc/47/89/53/1103478953.db2.gz GSIQOTPXMOOJTQ-ZWKOTPCHSA-N 2 2 303.450 3.450 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244918118 1103760521 /nfs/dbraw/zinc/76/05/21/1103760521.db2.gz GKTSGLOTUXZLCF-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244918118 1103760532 /nfs/dbraw/zinc/76/05/32/1103760532.db2.gz GKTSGLOTUXZLCF-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP CNc1cc(-c2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC001244974338 1103786944 /nfs/dbraw/zinc/78/69/44/1103786944.db2.gz WWKZQLGIHHYFFB-INIZCTEOSA-N 2 2 321.428 3.455 20 0 DGADLP c1cc(-c2ccc3c(C4C[NH+](C[C@@H]5CCOC5)C4)[nH+]cn3c2)co1 ZINC001202497698 1103812233 /nfs/dbraw/zinc/81/22/33/1103812233.db2.gz IWGJMRYFXZUAQK-AWEZNQCLSA-N 2 2 323.396 3.030 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cc(Cl)cc(CO)c3)c2)C1 ZINC001245093175 1103855644 /nfs/dbraw/zinc/85/56/44/1103855644.db2.gz COEZVJTVOVZHTF-GOSISDBHSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cc(Cl)cc(CO)c3)c2)C1 ZINC001245093175 1103855661 /nfs/dbraw/zinc/85/56/61/1103855661.db2.gz COEZVJTVOVZHTF-GOSISDBHSA-N 2 2 316.832 3.032 20 0 DGADLP Cc1[nH+]cn(-c2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)nn2)c1C ZINC001245350530 1103998945 /nfs/dbraw/zinc/99/89/45/1103998945.db2.gz SYAKDPNBXJWGOA-QGZVFWFLSA-N 2 2 319.412 3.371 20 0 DGADLP Cc1cccc2c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)[nH]nc21 ZINC001137151899 1104016351 /nfs/dbraw/zinc/01/63/51/1104016351.db2.gz CUKZITHBXNZESY-HNNXBMFYSA-N 2 2 322.412 3.228 20 0 DGADLP Cc1cccc2c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)[nH]nc21 ZINC001137151899 1104016363 /nfs/dbraw/zinc/01/63/63/1104016363.db2.gz CUKZITHBXNZESY-HNNXBMFYSA-N 2 2 322.412 3.228 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001253202774 1104039647 /nfs/dbraw/zinc/03/96/47/1104039647.db2.gz NIXHDRUGZGVIET-YPMHNXCESA-N 2 2 319.276 3.347 20 0 DGADLP Nc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1Cl ZINC001245468136 1104075649 /nfs/dbraw/zinc/07/56/49/1104075649.db2.gz HSLSAQGHKOEACQ-AWEZNQCLSA-N 2 2 319.811 3.261 20 0 DGADLP Nc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1Cl ZINC001245468136 1104075661 /nfs/dbraw/zinc/07/56/61/1104075661.db2.gz HSLSAQGHKOEACQ-AWEZNQCLSA-N 2 2 319.811 3.261 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cc3cccnc3o2)c[nH+]1 ZINC001202668315 1104109695 /nfs/dbraw/zinc/10/96/95/1104109695.db2.gz VIVKKEOXTZSUFF-UHFFFAOYSA-N 2 2 318.380 3.362 20 0 DGADLP Cc1cc(-c2ccc3ncn([C@H]4CCC[NH2+]CC4)c3c2)c[nH+]c1N ZINC001245537639 1104110313 /nfs/dbraw/zinc/11/03/13/1104110313.db2.gz TUAKROHOKFCNTN-INIZCTEOSA-N 2 2 321.428 3.304 20 0 DGADLP CSc1cc(Nc2cccc(OCC[NH+](C)C)c2)cc[nH+]1 ZINC001212805950 1104170056 /nfs/dbraw/zinc/17/00/56/1104170056.db2.gz FOSMZKAJBSHLSH-UHFFFAOYSA-N 2 2 303.431 3.488 20 0 DGADLP Cn1c[nH+]c2cc(Nc3cccc(OCC[NH+](C)C)c3)ccc21 ZINC001212807865 1104172098 /nfs/dbraw/zinc/17/20/98/1104172098.db2.gz DLIMPOQCXHOMMV-UHFFFAOYSA-N 2 2 310.401 3.257 20 0 DGADLP Cc1c(F)ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1F ZINC001245692276 1104195573 /nfs/dbraw/zinc/19/55/73/1104195573.db2.gz GCRVCLYTCANFOK-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1F ZINC001245692276 1104195578 /nfs/dbraw/zinc/19/55/78/1104195578.db2.gz GCRVCLYTCANFOK-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP C[C@@](O)(C[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056504 1104360812 /nfs/dbraw/zinc/36/08/12/1104360812.db2.gz VWUXIEXMHHXRBV-LEWJYISDSA-N 2 2 324.468 3.148 20 0 DGADLP C[C@@](O)(C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056504 1104360823 /nfs/dbraw/zinc/36/08/23/1104360823.db2.gz VWUXIEXMHHXRBV-LEWJYISDSA-N 2 2 324.468 3.148 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001329666113 1104361653 /nfs/dbraw/zinc/36/16/53/1104361653.db2.gz NEGCPUMVLOQQJD-UKRRQHHQSA-N 2 2 322.522 3.014 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001329666113 1104361665 /nfs/dbraw/zinc/36/16/65/1104361665.db2.gz NEGCPUMVLOQQJD-UKRRQHHQSA-N 2 2 322.522 3.014 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246078862 1104374208 /nfs/dbraw/zinc/37/42/08/1104374208.db2.gz XJZKBISQWMFEBV-XJKSGUPXSA-N 2 2 320.358 3.251 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246078860 1104374532 /nfs/dbraw/zinc/37/45/32/1104374532.db2.gz XJZKBISQWMFEBV-CJNGLKHVSA-N 2 2 320.358 3.251 20 0 DGADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246095125 1104382574 /nfs/dbraw/zinc/38/25/74/1104382574.db2.gz YZNOQMWYVKXHLH-XLIONFOSSA-N 2 2 324.468 3.175 20 0 DGADLP CCC1CCC(C2CCC([NH2+][C@@H]3CCOC34C[NH2+]C4)CC2)CC1 ZINC001246127656 1104398634 /nfs/dbraw/zinc/39/86/34/1104398634.db2.gz OSOOQAVYIFPNNM-PHDXLQKJSA-N 2 2 320.521 3.482 20 0 DGADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001246144871 1104404608 /nfs/dbraw/zinc/40/46/08/1104404608.db2.gz VWZTWIREFBOWBL-BEVDRBHNSA-N 2 2 310.441 3.319 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246160778 1104411771 /nfs/dbraw/zinc/41/17/71/1104411771.db2.gz GSNUSCQUDQKKEH-NSHDSACASA-N 2 2 304.331 3.465 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CCCC[NH2+]C3)c2)cc1 ZINC001246179964 1104423932 /nfs/dbraw/zinc/42/39/32/1104423932.db2.gz PSOGQNSLTKJUDG-IBGZPJMESA-N 2 2 310.441 3.497 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2c(OC)cccc2OC)CC[NH2+]1 ZINC001246195782 1104434097 /nfs/dbraw/zinc/43/40/97/1104434097.db2.gz PPDXPTCWZHTZRT-GJZGRUSLSA-N 2 2 306.450 3.104 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(OC)c2F)C[C@H](CC)[NH2+]1 ZINC001246224817 1104446119 /nfs/dbraw/zinc/44/61/19/1104446119.db2.gz JFPUFVQRFKSTFK-BTTYYORXSA-N 2 2 312.404 3.372 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246251490 1104459481 /nfs/dbraw/zinc/45/94/81/1104459481.db2.gz PJQDFZQBZMBOLU-QFBILLFUSA-N 2 2 310.441 3.463 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279552 1104472264 /nfs/dbraw/zinc/47/22/64/1104472264.db2.gz MNVUVFAOKDOMKG-YJBOKZPZSA-N 2 2 300.833 3.487 20 0 DGADLP C[C@H]1CC([NH2+]Cc2ccc(F)cc2Br)C[C@H](C)[NH2+]1 ZINC001246291261 1104475649 /nfs/dbraw/zinc/47/56/49/1104475649.db2.gz STSGDUHKOLOXJW-UWVGGRQHSA-N 2 2 315.230 3.207 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC001246349887 1104502965 /nfs/dbraw/zinc/50/29/65/1104502965.db2.gz HTNDMURCHYHOKU-UXHICEINSA-N 3 2 321.553 3.397 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246364902 1104509602 /nfs/dbraw/zinc/50/96/02/1104509602.db2.gz WYJTXJPJRBSXRI-HFCFLWKCSA-N 3 2 307.526 3.009 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246364902 1104509610 /nfs/dbraw/zinc/50/96/10/1104509610.db2.gz WYJTXJPJRBSXRI-HFCFLWKCSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@H]1CC[C@H]([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407886 1104529606 /nfs/dbraw/zinc/52/96/06/1104529606.db2.gz VGGNSRZAYQHDLP-WNHJNPCNSA-N 3 2 307.526 3.279 20 0 DGADLP C[C@H]1CC[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407886 1104529611 /nfs/dbraw/zinc/52/96/11/1104529611.db2.gz VGGNSRZAYQHDLP-WNHJNPCNSA-N 3 2 307.526 3.279 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246440773 1104539850 /nfs/dbraw/zinc/53/98/50/1104539850.db2.gz XIZBQXSZUJLKQX-CZUORRHYSA-N 2 2 308.853 3.076 20 0 DGADLP COCCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274986264 1104567721 /nfs/dbraw/zinc/56/77/21/1104567721.db2.gz BECKYOOETCPNFF-IBGZPJMESA-N 2 2 319.493 3.119 20 0 DGADLP COCCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274986264 1104567727 /nfs/dbraw/zinc/56/77/27/1104567727.db2.gz BECKYOOETCPNFF-IBGZPJMESA-N 2 2 319.493 3.119 20 0 DGADLP COCCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274986264 1104567732 /nfs/dbraw/zinc/56/77/32/1104567732.db2.gz BECKYOOETCPNFF-IBGZPJMESA-N 2 2 319.493 3.119 20 0 DGADLP COCCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274986264 1104567737 /nfs/dbraw/zinc/56/77/37/1104567737.db2.gz BECKYOOETCPNFF-IBGZPJMESA-N 2 2 319.493 3.119 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2CCc3c(C)cccc3C2)c1 ZINC001246511801 1104573051 /nfs/dbraw/zinc/57/30/51/1104573051.db2.gz RWRMITCHCBJPRD-YLJYHZDGSA-N 2 2 310.441 3.151 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246546665 1104587136 /nfs/dbraw/zinc/58/71/36/1104587136.db2.gz NCKWPCRCMPECAL-ZHALLVOQSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1CC([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246546665 1104587141 /nfs/dbraw/zinc/58/71/41/1104587141.db2.gz NCKWPCRCMPECAL-ZHALLVOQSA-N 3 2 315.505 3.241 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CCCC[C@@H]([NH3+])C1)CC2 ZINC001246558710 1104594423 /nfs/dbraw/zinc/59/44/23/1104594423.db2.gz MKNKITSNHSQNJD-CHWSQXEVSA-N 2 2 308.853 3.019 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCCC[C@@H]([NH3+])C1)CC2 ZINC001246558710 1104594430 /nfs/dbraw/zinc/59/44/30/1104594430.db2.gz MKNKITSNHSQNJD-CHWSQXEVSA-N 2 2 308.853 3.019 20 0 DGADLP CC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050433 1104594761 /nfs/dbraw/zinc/59/47/61/1104594761.db2.gz DYZVRBIIHIBTFJ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050433 1104594767 /nfs/dbraw/zinc/59/47/67/1104594767.db2.gz DYZVRBIIHIBTFJ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050433 1104594775 /nfs/dbraw/zinc/59/47/75/1104594775.db2.gz DYZVRBIIHIBTFJ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275050433 1104594783 /nfs/dbraw/zinc/59/47/83/1104594783.db2.gz DYZVRBIIHIBTFJ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062308 1104600467 /nfs/dbraw/zinc/60/04/67/1104600467.db2.gz VJGZUSCJMCZBJT-VQIMIIECSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062308 1104600471 /nfs/dbraw/zinc/60/04/71/1104600471.db2.gz VJGZUSCJMCZBJT-VQIMIIECSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062308 1104600474 /nfs/dbraw/zinc/60/04/74/1104600474.db2.gz VJGZUSCJMCZBJT-VQIMIIECSA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062308 1104600477 /nfs/dbraw/zinc/60/04/77/1104600477.db2.gz VJGZUSCJMCZBJT-VQIMIIECSA-N 2 2 317.477 3.121 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001246575616 1104602543 /nfs/dbraw/zinc/60/25/43/1104602543.db2.gz INHLRMMATQHIIM-KZNAEPCWSA-N 2 2 306.425 3.060 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001246575616 1104602549 /nfs/dbraw/zinc/60/25/49/1104602549.db2.gz INHLRMMATQHIIM-KZNAEPCWSA-N 2 2 306.425 3.060 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246605413 1104621785 /nfs/dbraw/zinc/62/17/85/1104621785.db2.gz BXWHLWGQPLRNEX-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246605413 1104621787 /nfs/dbraw/zinc/62/17/87/1104621787.db2.gz BXWHLWGQPLRNEX-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP CC(C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096419 1104622890 /nfs/dbraw/zinc/62/28/90/1104622890.db2.gz HYZIKBMUUPGWEQ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096419 1104622893 /nfs/dbraw/zinc/62/28/93/1104622893.db2.gz HYZIKBMUUPGWEQ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096419 1104622900 /nfs/dbraw/zinc/62/29/00/1104622900.db2.gz HYZIKBMUUPGWEQ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096419 1104622904 /nfs/dbraw/zinc/62/29/04/1104622904.db2.gz HYZIKBMUUPGWEQ-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246611094 1104625967 /nfs/dbraw/zinc/62/59/67/1104625967.db2.gz RRWBZSZKKDBXLL-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246611094 1104625970 /nfs/dbraw/zinc/62/59/70/1104625970.db2.gz RRWBZSZKKDBXLL-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610563 1104627037 /nfs/dbraw/zinc/62/70/37/1104627037.db2.gz PIIFTTHQMOVJGJ-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610563 1104627039 /nfs/dbraw/zinc/62/70/39/1104627039.db2.gz PIIFTTHQMOVJGJ-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP COc1cccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001246613768 1104627998 /nfs/dbraw/zinc/62/79/98/1104627998.db2.gz MGEWOTWONWNFQX-LPHOPBHVSA-N 2 2 302.462 3.234 20 0 DGADLP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001246613768 1104628002 /nfs/dbraw/zinc/62/80/02/1104628002.db2.gz MGEWOTWONWNFQX-LPHOPBHVSA-N 2 2 302.462 3.234 20 0 DGADLP Fc1cccc2c1C[C@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613008 1104628750 /nfs/dbraw/zinc/62/87/50/1104628750.db2.gz KCDCXBWKZCULJE-APWZRJJASA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1C[C@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613008 1104628753 /nfs/dbraw/zinc/62/87/53/1104628753.db2.gz KCDCXBWKZCULJE-APWZRJJASA-N 2 2 302.437 3.291 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614403 1104629800 /nfs/dbraw/zinc/62/98/00/1104629800.db2.gz SNTOCELEBBBZKX-WMZOPIPTSA-N 2 2 320.864 3.109 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614403 1104629805 /nfs/dbraw/zinc/62/98/05/1104629805.db2.gz SNTOCELEBBBZKX-WMZOPIPTSA-N 2 2 320.864 3.109 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629015 1104636065 /nfs/dbraw/zinc/63/60/65/1104636065.db2.gz DDRRRSHVNZZDLT-UHOFOFEASA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629015 1104636067 /nfs/dbraw/zinc/63/60/67/1104636067.db2.gz DDRRRSHVNZZDLT-UHOFOFEASA-N 2 2 323.278 3.206 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246633414 1104638589 /nfs/dbraw/zinc/63/85/89/1104638589.db2.gz XSNSCXQRVATMDJ-RCBQFDQVSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246633414 1104638591 /nfs/dbraw/zinc/63/85/91/1104638591.db2.gz XSNSCXQRVATMDJ-RCBQFDQVSA-N 2 2 311.256 3.287 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635584 1104638664 /nfs/dbraw/zinc/63/86/64/1104638664.db2.gz DDRRRSHVNZZDLT-APHBMKBZSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246635584 1104638665 /nfs/dbraw/zinc/63/86/65/1104638665.db2.gz DDRRRSHVNZZDLT-APHBMKBZSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646774 1104643568 /nfs/dbraw/zinc/64/35/68/1104643568.db2.gz HYXNCDKLDXMZCF-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646774 1104643574 /nfs/dbraw/zinc/64/35/74/1104643574.db2.gz HYXNCDKLDXMZCF-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647047 1104645372 /nfs/dbraw/zinc/64/53/72/1104645372.db2.gz GNBNOTXYPPPEHS-VQTJNVASSA-N 2 2 316.489 3.242 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647047 1104645376 /nfs/dbraw/zinc/64/53/76/1104645376.db2.gz GNBNOTXYPPPEHS-VQTJNVASSA-N 2 2 316.489 3.242 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC001246650878 1104647670 /nfs/dbraw/zinc/64/76/70/1104647670.db2.gz JMGHZSNUXFNZGM-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC001246650878 1104647674 /nfs/dbraw/zinc/64/76/74/1104647674.db2.gz JMGHZSNUXFNZGM-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665621 1104654254 /nfs/dbraw/zinc/65/42/54/1104654254.db2.gz RRQDAWWCDOOEMB-JGGQBBKZSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246665621 1104654259 /nfs/dbraw/zinc/65/42/59/1104654259.db2.gz RRQDAWWCDOOEMB-JGGQBBKZSA-N 2 2 323.278 3.064 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239975 1104688499 /nfs/dbraw/zinc/68/84/99/1104688499.db2.gz XGQIBQBUTFXOIL-LJQANCHMSA-N 2 2 313.445 3.404 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239975 1104688502 /nfs/dbraw/zinc/68/85/02/1104688502.db2.gz XGQIBQBUTFXOIL-LJQANCHMSA-N 2 2 313.445 3.404 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239975 1104688507 /nfs/dbraw/zinc/68/85/07/1104688507.db2.gz XGQIBQBUTFXOIL-LJQANCHMSA-N 2 2 313.445 3.404 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)o1 ZINC001275239975 1104688509 /nfs/dbraw/zinc/68/85/09/1104688509.db2.gz XGQIBQBUTFXOIL-LJQANCHMSA-N 2 2 313.445 3.404 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1OC ZINC001275255228 1104692520 /nfs/dbraw/zinc/69/25/20/1104692520.db2.gz GOMCWTPHLKULFX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1OC ZINC001275255228 1104692524 /nfs/dbraw/zinc/69/25/24/1104692524.db2.gz GOMCWTPHLKULFX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1OC ZINC001275255228 1104692527 /nfs/dbraw/zinc/69/25/27/1104692527.db2.gz GOMCWTPHLKULFX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1OC ZINC001275255228 1104692531 /nfs/dbraw/zinc/69/25/31/1104692531.db2.gz GOMCWTPHLKULFX-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CCO2)cc1 ZINC001246837695 1104699063 /nfs/dbraw/zinc/69/90/63/1104699063.db2.gz FMBRPFGCYGICGR-AABGKKOBSA-N 2 2 316.489 3.319 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CCO2)cc1 ZINC001246837695 1104699068 /nfs/dbraw/zinc/69/90/68/1104699068.db2.gz FMBRPFGCYGICGR-AABGKKOBSA-N 2 2 316.489 3.319 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246861123 1104711692 /nfs/dbraw/zinc/71/16/92/1104711692.db2.gz AEPFXSKIRXLROM-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246861123 1104711698 /nfs/dbraw/zinc/71/16/98/1104711698.db2.gz AEPFXSKIRXLROM-INWMFGNUSA-N 2 2 323.278 3.064 20 0 DGADLP COc1cccc(C[N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1OC ZINC001246871676 1104717008 /nfs/dbraw/zinc/71/70/08/1104717008.db2.gz OAHRTITWMQSWIJ-NVXWUHKLSA-N 2 2 320.477 3.302 20 0 DGADLP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1OC ZINC001246871676 1104717016 /nfs/dbraw/zinc/71/70/16/1104717016.db2.gz OAHRTITWMQSWIJ-NVXWUHKLSA-N 2 2 320.477 3.302 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@H+](CCC[NH3+])CC(=O)OCC ZINC001246920146 1104739101 /nfs/dbraw/zinc/73/91/01/1104739101.db2.gz CXAYRVIJFWZDHL-GOSISDBHSA-N 2 2 320.477 3.002 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CC(=O)OCC ZINC001246920146 1104739106 /nfs/dbraw/zinc/73/91/06/1104739106.db2.gz CXAYRVIJFWZDHL-GOSISDBHSA-N 2 2 320.477 3.002 20 0 DGADLP CCOc1ccc(NC2CC[NH+]([C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC001246948783 1104748552 /nfs/dbraw/zinc/74/85/52/1104748552.db2.gz LUMGBOTXDOYZJQ-YJBOKZPZSA-N 2 2 317.477 3.102 20 0 DGADLP C[C@@H]1CC([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246947621 1104748785 /nfs/dbraw/zinc/74/87/85/1104748785.db2.gz GHNVPLDGQZLHDR-XYJFISCASA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246947621 1104748789 /nfs/dbraw/zinc/74/87/89/1104748789.db2.gz GHNVPLDGQZLHDR-XYJFISCASA-N 2 2 301.478 3.460 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246949386 1104749650 /nfs/dbraw/zinc/74/96/50/1104749650.db2.gz OWOSZNQNQOGXKJ-MJGOQNOKSA-N 2 2 319.468 3.259 20 0 DGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980504 1104761452 /nfs/dbraw/zinc/76/14/52/1104761452.db2.gz RKGWSVJTXCLGQO-BPQIPLTHSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980504 1104761454 /nfs/dbraw/zinc/76/14/54/1104761454.db2.gz RKGWSVJTXCLGQO-BPQIPLTHSA-N 2 2 322.493 3.105 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2OCO3)C[C@H](CC)[NH2+]1 ZINC001246996723 1104769048 /nfs/dbraw/zinc/76/90/48/1104769048.db2.gz ZKGIFRZXBIVQOE-MUJYYYPQSA-N 2 2 304.434 3.156 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2OCO3)C[C@H](CC)[NH2+]1 ZINC001246996723 1104769054 /nfs/dbraw/zinc/76/90/54/1104769054.db2.gz ZKGIFRZXBIVQOE-MUJYYYPQSA-N 2 2 304.434 3.156 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998671 1104769930 /nfs/dbraw/zinc/76/99/30/1104769930.db2.gz YOAPKOCQUDVFNS-IEBWSBKVSA-N 3 2 309.542 3.494 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998671 1104769932 /nfs/dbraw/zinc/76/99/32/1104769932.db2.gz YOAPKOCQUDVFNS-IEBWSBKVSA-N 3 2 309.542 3.494 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998673 1104770669 /nfs/dbraw/zinc/77/06/69/1104770669.db2.gz YOAPKOCQUDVFNS-PKOBYXMFSA-N 3 2 309.542 3.494 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998673 1104770671 /nfs/dbraw/zinc/77/06/71/1104770671.db2.gz YOAPKOCQUDVFNS-PKOBYXMFSA-N 3 2 309.542 3.494 20 0 DGADLP CC[C@@H]1C[C@@H]([NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000621 1104771645 /nfs/dbraw/zinc/77/16/45/1104771645.db2.gz FWBOTQWCSSXHBS-IPELMVKDSA-N 2 2 319.468 3.035 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247368115 1104880977 /nfs/dbraw/zinc/88/09/77/1104880977.db2.gz HIBONGQTXYEJQJ-INIZCTEOSA-N 2 2 323.400 3.468 20 0 DGADLP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247368115 1104880984 /nfs/dbraw/zinc/88/09/84/1104880984.db2.gz HIBONGQTXYEJQJ-INIZCTEOSA-N 2 2 323.400 3.468 20 0 DGADLP COc1cccc(OC)c1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275946661 1104965772 /nfs/dbraw/zinc/96/57/72/1104965772.db2.gz RTXVQLWJCGOEAO-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275946661 1104965776 /nfs/dbraw/zinc/96/57/76/1104965776.db2.gz RTXVQLWJCGOEAO-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275946661 1104965781 /nfs/dbraw/zinc/96/57/81/1104965781.db2.gz RTXVQLWJCGOEAO-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275946661 1104965783 /nfs/dbraw/zinc/96/57/83/1104965783.db2.gz RTXVQLWJCGOEAO-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276198065 1105045719 /nfs/dbraw/zinc/04/57/19/1105045719.db2.gz URTAXHAJRNARJV-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276198065 1105045726 /nfs/dbraw/zinc/04/57/26/1105045726.db2.gz URTAXHAJRNARJV-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276198065 1105045731 /nfs/dbraw/zinc/04/57/31/1105045731.db2.gz URTAXHAJRNARJV-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276198065 1105045739 /nfs/dbraw/zinc/04/57/39/1105045739.db2.gz URTAXHAJRNARJV-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(CN(Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276206150 1105047124 /nfs/dbraw/zinc/04/71/24/1105047124.db2.gz DDDXFKFVMLHQHR-INIZCTEOSA-N 2 2 304.482 3.052 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2-n2cc[nH+]c2)no1)[NH+]1CCCC1 ZINC001248122006 1105049061 /nfs/dbraw/zinc/04/90/61/1105049061.db2.gz HWMOOJMJEBWCQE-ZDUSSCGKSA-N 2 2 309.373 3.079 20 0 DGADLP CCCCc1[nH]c(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c[nH+]1 ZINC001276216206 1105051675 /nfs/dbraw/zinc/05/16/75/1105051675.db2.gz ZBJPWKUWSGLFKG-GOSISDBHSA-N 2 2 304.482 3.060 20 0 DGADLP CCCCc1[nH]c(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c[nH+]1 ZINC001276216206 1105051682 /nfs/dbraw/zinc/05/16/82/1105051682.db2.gz ZBJPWKUWSGLFKG-GOSISDBHSA-N 2 2 304.482 3.060 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3c4ccoc4ccc3F)C[C@H]2C1 ZINC001248545779 1105125554 /nfs/dbraw/zinc/12/55/54/1105125554.db2.gz ORKUEUUBZFKVNP-ZIAGYGMSSA-N 2 2 302.393 3.346 20 0 DGADLP CC(C)Sc1nccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC001248832949 1105174382 /nfs/dbraw/zinc/17/43/82/1105174382.db2.gz KRWCONJZIPTLBX-UHFFFAOYSA-N 2 2 317.462 3.011 20 0 DGADLP c1cn(-c2ccccc2-c2noc(C[NH2+]C3CCCCC3)n2)c[nH+]1 ZINC001248940679 1105197573 /nfs/dbraw/zinc/19/75/73/1105197573.db2.gz GYBQDLVUUXVULV-UHFFFAOYSA-N 2 2 323.400 3.345 20 0 DGADLP c1cn(-c2ccc(-c3noc(C45CCC[NH+]4CCC5)n3)cc2)c[nH+]1 ZINC001249221637 1105248910 /nfs/dbraw/zinc/24/89/10/1105248910.db2.gz WXQAPHLOJLMAMC-UHFFFAOYSA-N 2 2 321.384 3.007 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(SC)c(OC)c3)C[C@@H]2C1 ZINC001249378595 1105276858 /nfs/dbraw/zinc/27/68/58/1105276858.db2.gz OJGQOSQETJDCEQ-HOTGVXAUSA-N 2 2 320.502 3.191 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(SC)c(OC)c1 ZINC001249378738 1105276941 /nfs/dbraw/zinc/27/69/41/1105276941.db2.gz VNEPNARMDPFRBZ-UHFFFAOYSA-N 2 2 305.447 3.136 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(SC)c(OC)c1 ZINC001249378738 1105276943 /nfs/dbraw/zinc/27/69/43/1105276943.db2.gz VNEPNARMDPFRBZ-UHFFFAOYSA-N 2 2 305.447 3.136 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(C)cc2C(F)(F)F)CC1 ZINC001249514785 1105301618 /nfs/dbraw/zinc/30/16/18/1105301618.db2.gz YYPPHIPTLGXWMC-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(C)cc2C(F)(F)F)CC1 ZINC001249514785 1105301626 /nfs/dbraw/zinc/30/16/26/1105301626.db2.gz YYPPHIPTLGXWMC-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP CCc1ccc(C)[nH+]c1NC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001249553299 1105312343 /nfs/dbraw/zinc/31/23/43/1105312343.db2.gz WPBVRCHZJBQHFE-KRWDZBQOSA-N 2 2 301.434 3.133 20 0 DGADLP Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)c[nH+]c1N ZINC001249786639 1105381205 /nfs/dbraw/zinc/38/12/05/1105381205.db2.gz YHJBSEKXGBQQDM-UHFFFAOYSA-N 2 2 318.178 3.126 20 0 DGADLP CCOc1cc2[nH]c(C3(C)CC[NH+](C)CC3)[nH+]c2cc1OCC ZINC001250565548 1105538063 /nfs/dbraw/zinc/53/80/63/1105538063.db2.gz KMISUCVWJDZVSW-UHFFFAOYSA-N 2 2 317.433 3.344 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)c1cccs1 ZINC001252011792 1105725060 /nfs/dbraw/zinc/72/50/60/1105725060.db2.gz XMXQHVZPVALUMW-NSHDSACASA-N 2 2 312.398 3.379 20 0 DGADLP CCC/C=C/CC[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491503087 1105836238 /nfs/dbraw/zinc/83/62/38/1105836238.db2.gz DNADURXEQHVATE-GJBLVYBDSA-N 2 2 314.433 3.017 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001253195115 1105901313 /nfs/dbraw/zinc/90/13/13/1105901313.db2.gz NMPWTDFWTPJPGQ-YOEHRIQHSA-N 2 2 324.896 3.004 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001253195115 1105901318 /nfs/dbraw/zinc/90/13/18/1105901318.db2.gz NMPWTDFWTPJPGQ-YOEHRIQHSA-N 2 2 324.896 3.004 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001253206022 1105904061 /nfs/dbraw/zinc/90/40/61/1105904061.db2.gz JDEPAEKRUAYVDV-SWLSCSKDSA-N 2 2 318.383 3.059 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253392489 1105933393 /nfs/dbraw/zinc/93/33/93/1105933393.db2.gz JLHOXLCMJBVSHZ-CZUORRHYSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253392489 1105933395 /nfs/dbraw/zinc/93/33/95/1105933395.db2.gz JLHOXLCMJBVSHZ-CZUORRHYSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001253393462 1105933704 /nfs/dbraw/zinc/93/37/04/1105933704.db2.gz SWTORMYIEDNXBU-CRAIPNDOSA-N 2 2 315.461 3.054 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001253393462 1105933709 /nfs/dbraw/zinc/93/37/09/1105933709.db2.gz SWTORMYIEDNXBU-CRAIPNDOSA-N 2 2 315.461 3.054 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC001253746783 1105979262 /nfs/dbraw/zinc/97/92/62/1105979262.db2.gz CHFJJMGLIAYQOQ-SFHVURJKSA-N 2 2 322.468 3.095 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001254501955 1106083718 /nfs/dbraw/zinc/08/37/18/1106083718.db2.gz AKYLNUJTTNAWGR-LLVKDONJSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001254501955 1106083724 /nfs/dbraw/zinc/08/37/24/1106083724.db2.gz AKYLNUJTTNAWGR-LLVKDONJSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001254511975 1106086664 /nfs/dbraw/zinc/08/66/64/1106086664.db2.gz HZEPDLSRATUDQI-HNNXBMFYSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001254511975 1106086669 /nfs/dbraw/zinc/08/66/69/1106086669.db2.gz HZEPDLSRATUDQI-HNNXBMFYSA-N 2 2 303.381 3.055 20 0 DGADLP Cc1ccc(Cl)c(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1F ZINC001254841923 1106146709 /nfs/dbraw/zinc/14/67/09/1106146709.db2.gz CEIGQEVJNPEELZ-AWEZNQCLSA-N 2 2 310.844 3.404 20 0 DGADLP OCC[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1cccc2ccccc21 ZINC001254840888 1106146830 /nfs/dbraw/zinc/14/68/30/1106146830.db2.gz PTSJYNZPWIPIGG-GHTZIAJQSA-N 2 2 324.468 3.337 20 0 DGADLP Cc1ccc(Cl)c(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1F ZINC001254841926 1106147098 /nfs/dbraw/zinc/14/70/98/1106147098.db2.gz CEIGQEVJNPEELZ-CQSZACIVSA-N 2 2 310.844 3.404 20 0 DGADLP COCCC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254848965 1106148712 /nfs/dbraw/zinc/14/87/12/1106148712.db2.gz ZPUHGQYHMHNSKT-OAHLLOKOSA-N 2 2 316.436 3.045 20 0 DGADLP F[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140008 1106188953 /nfs/dbraw/zinc/18/89/53/1106188953.db2.gz HFQLTRLWFUEAHR-GTYQWKCWSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140008 1106188956 /nfs/dbraw/zinc/18/89/56/1106188956.db2.gz HFQLTRLWFUEAHR-GTYQWKCWSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140008 1106188959 /nfs/dbraw/zinc/18/89/59/1106188959.db2.gz HFQLTRLWFUEAHR-GTYQWKCWSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140008 1106188962 /nfs/dbraw/zinc/18/89/62/1106188962.db2.gz HFQLTRLWFUEAHR-GTYQWKCWSA-N 2 2 314.448 3.472 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150433 1106190389 /nfs/dbraw/zinc/19/03/89/1106190389.db2.gz UWPGJYRWAJIITQ-YRPNKDGESA-N 2 2 312.457 3.235 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150433 1106190392 /nfs/dbraw/zinc/19/03/92/1106190392.db2.gz UWPGJYRWAJIITQ-YRPNKDGESA-N 2 2 312.457 3.235 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150433 1106190396 /nfs/dbraw/zinc/19/03/96/1106190396.db2.gz UWPGJYRWAJIITQ-YRPNKDGESA-N 2 2 312.457 3.235 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150433 1106190398 /nfs/dbraw/zinc/19/03/98/1106190398.db2.gz UWPGJYRWAJIITQ-YRPNKDGESA-N 2 2 312.457 3.235 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148644 1106190556 /nfs/dbraw/zinc/19/05/56/1106190556.db2.gz YCCPHZLFNMOSOJ-CVYSASLGSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148644 1106190559 /nfs/dbraw/zinc/19/05/59/1106190559.db2.gz YCCPHZLFNMOSOJ-CVYSASLGSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148644 1106190562 /nfs/dbraw/zinc/19/05/62/1106190562.db2.gz YCCPHZLFNMOSOJ-CVYSASLGSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)CO1 ZINC001255148644 1106190563 /nfs/dbraw/zinc/19/05/63/1106190563.db2.gz YCCPHZLFNMOSOJ-CVYSASLGSA-N 2 2 314.473 3.291 20 0 DGADLP CC(=O)[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149800 1106191307 /nfs/dbraw/zinc/19/13/07/1106191307.db2.gz JPDSGIXASASFGS-HAGHYFMRSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149800 1106191308 /nfs/dbraw/zinc/19/13/08/1106191308.db2.gz JPDSGIXASASFGS-HAGHYFMRSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149800 1106191311 /nfs/dbraw/zinc/19/13/11/1106191311.db2.gz JPDSGIXASASFGS-HAGHYFMRSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149800 1106191315 /nfs/dbraw/zinc/19/13/15/1106191315.db2.gz JPDSGIXASASFGS-HAGHYFMRSA-N 2 2 312.457 3.093 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393019 1106240717 /nfs/dbraw/zinc/24/07/17/1106240717.db2.gz KIKGFODNBXQTAC-ROUUACIJSA-N 2 2 300.446 3.142 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393019 1106240719 /nfs/dbraw/zinc/24/07/19/1106240719.db2.gz KIKGFODNBXQTAC-ROUUACIJSA-N 2 2 300.446 3.142 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405040 1106245341 /nfs/dbraw/zinc/24/53/41/1106245341.db2.gz MLCLKKNXOSEQHM-FQEVSTJZSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405040 1106245344 /nfs/dbraw/zinc/24/53/44/1106245344.db2.gz MLCLKKNXOSEQHM-FQEVSTJZSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405040 1106245348 /nfs/dbraw/zinc/24/53/48/1106245348.db2.gz MLCLKKNXOSEQHM-FQEVSTJZSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H]([N@H+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405040 1106245354 /nfs/dbraw/zinc/24/53/54/1106245354.db2.gz MLCLKKNXOSEQHM-FQEVSTJZSA-N 2 2 307.441 3.452 20 0 DGADLP COC[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001255576040 1106272536 /nfs/dbraw/zinc/27/25/36/1106272536.db2.gz RBSIEGNQOLNMLA-CYBMUJFWSA-N 2 2 311.385 3.028 20 0 DGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711638 1106299497 /nfs/dbraw/zinc/29/94/97/1106299497.db2.gz DIJLPSBPNVSBAC-UKRRQHHQSA-N 2 2 322.415 3.150 20 0 DGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711638 1106299501 /nfs/dbraw/zinc/29/95/01/1106299501.db2.gz DIJLPSBPNVSBAC-UKRRQHHQSA-N 2 2 322.415 3.150 20 0 DGADLP C[C@@H](Cc1ccccc1F)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001255857811 1106329976 /nfs/dbraw/zinc/32/99/76/1106329976.db2.gz SMWTZGPEXOFMAM-HNNXBMFYSA-N 2 2 313.420 3.410 20 0 DGADLP CC[NH+](CC)CC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001255950550 1106347289 /nfs/dbraw/zinc/34/72/89/1106347289.db2.gz ACXGWRJZBKMAOR-HNNXBMFYSA-N 3 2 300.450 3.302 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2C)CC1 ZINC001255964686 1106351014 /nfs/dbraw/zinc/35/10/14/1106351014.db2.gz ATABQZQAOZKCAI-KRWDZBQOSA-N 2 2 321.484 3.377 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076984 1106365372 /nfs/dbraw/zinc/36/53/72/1106365372.db2.gz JZQNURMMMGRLKH-GOSISDBHSA-N 2 2 300.446 3.459 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076984 1106365378 /nfs/dbraw/zinc/36/53/78/1106365378.db2.gz JZQNURMMMGRLKH-GOSISDBHSA-N 2 2 300.446 3.459 20 0 DGADLP Cc1ccccc1O[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076534 1106365396 /nfs/dbraw/zinc/36/53/96/1106365396.db2.gz HIAQWQFKEYRJFI-GOSISDBHSA-N 2 2 300.446 3.075 20 0 DGADLP Cc1ccccc1O[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076534 1106365398 /nfs/dbraw/zinc/36/53/98/1106365398.db2.gz HIAQWQFKEYRJFI-GOSISDBHSA-N 2 2 300.446 3.075 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256074127 1106365661 /nfs/dbraw/zinc/36/56/61/1106365661.db2.gz LSBWEHXHZNLPMQ-MRXNPFEDSA-N 2 2 306.837 3.380 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC001256198622 1106389095 /nfs/dbraw/zinc/38/90/95/1106389095.db2.gz QBTSENGULPBVPF-PMACEKPBSA-N 2 2 310.441 3.145 20 0 DGADLP CC(C)CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001256364683 1106410166 /nfs/dbraw/zinc/41/01/66/1106410166.db2.gz UMZHNGZTORHZBG-QRQLOZEOSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001256364683 1106410169 /nfs/dbraw/zinc/41/01/69/1106410169.db2.gz UMZHNGZTORHZBG-QRQLOZEOSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001256364683 1106410170 /nfs/dbraw/zinc/41/01/70/1106410170.db2.gz UMZHNGZTORHZBG-QRQLOZEOSA-N 2 2 301.478 3.270 20 0 DGADLP CC(C)CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001256364683 1106410173 /nfs/dbraw/zinc/41/01/73/1106410173.db2.gz UMZHNGZTORHZBG-QRQLOZEOSA-N 2 2 301.478 3.270 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256424926 1106419886 /nfs/dbraw/zinc/41/98/86/1106419886.db2.gz OVCXGNIJMOQWTI-INIZCTEOSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@@H](Cc1ccccn1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256424926 1106419887 /nfs/dbraw/zinc/41/98/87/1106419887.db2.gz OVCXGNIJMOQWTI-INIZCTEOSA-N 2 2 301.478 3.351 20 0 DGADLP CCOC1CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001256431533 1106421487 /nfs/dbraw/zinc/42/14/87/1106421487.db2.gz DNZRBMCDPOTITP-UHFFFAOYSA-N 2 2 317.477 3.235 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528093 1106434750 /nfs/dbraw/zinc/43/47/50/1106434750.db2.gz XLKVXHHLUARSDF-YJBOKZPZSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528093 1106434751 /nfs/dbraw/zinc/43/47/51/1106434751.db2.gz XLKVXHHLUARSDF-YJBOKZPZSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536602 1106437056 /nfs/dbraw/zinc/43/70/56/1106437056.db2.gz KTYPUTRRBHUYCN-MISYRCLQSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536602 1106437058 /nfs/dbraw/zinc/43/70/58/1106437058.db2.gz KTYPUTRRBHUYCN-MISYRCLQSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)cc3c2OCOC3)CC1 ZINC001256561954 1106445817 /nfs/dbraw/zinc/44/58/17/1106445817.db2.gz LELFYTOYYBLXIK-UHFFFAOYSA-N 2 2 322.424 3.045 20 0 DGADLP COc1cnccc1[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001256569228 1106447779 /nfs/dbraw/zinc/44/77/79/1106447779.db2.gz WCWPESYRVBTHBK-SFHVURJKSA-N 2 2 317.477 3.394 20 0 DGADLP CCc1nnc(C2CC[NH+](C3CC[NH+](C(C)(C)C)CC3)CC2)o1 ZINC001256575849 1106448288 /nfs/dbraw/zinc/44/82/88/1106448288.db2.gz WQQQMKJGCZBQFZ-UHFFFAOYSA-N 2 2 320.481 3.074 20 0 DGADLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1C ZINC001256578120 1106449264 /nfs/dbraw/zinc/44/92/64/1106449264.db2.gz DUNVURJMQOVDIN-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001256606545 1106453084 /nfs/dbraw/zinc/45/30/84/1106453084.db2.gz XPIXVUVRFXFXJR-ICSRJNTNSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001256606545 1106453085 /nfs/dbraw/zinc/45/30/85/1106453085.db2.gz XPIXVUVRFXFXJR-ICSRJNTNSA-N 2 2 314.473 3.152 20 0 DGADLP CO[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001256612071 1106453510 /nfs/dbraw/zinc/45/35/10/1106453510.db2.gz DFHDUFQQLPTQGY-QFBILLFUSA-N 2 2 302.462 3.150 20 0 DGADLP CO[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001256612071 1106453514 /nfs/dbraw/zinc/45/35/14/1106453514.db2.gz DFHDUFQQLPTQGY-QFBILLFUSA-N 2 2 302.462 3.150 20 0 DGADLP c1cn(C2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC001256609922 1106453601 /nfs/dbraw/zinc/45/36/01/1106453601.db2.gz URSXOPIOTBSRJC-UHFFFAOYSA-N 2 2 324.472 3.185 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001256787580 1106483269 /nfs/dbraw/zinc/48/32/69/1106483269.db2.gz SBRSZSSNDTWOLB-OALUTQOASA-N 2 2 302.462 3.372 20 0 DGADLP c1ccc([C@H]2C[C@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001256787582 1106483299 /nfs/dbraw/zinc/48/32/99/1106483299.db2.gz SBRSZSSNDTWOLB-RTBURBONSA-N 2 2 302.462 3.372 20 0 DGADLP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796621 1106485508 /nfs/dbraw/zinc/48/55/08/1106485508.db2.gz SHZLEMUFBDSZPT-JENIJYKNSA-N 2 2 300.446 3.123 20 0 DGADLP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796621 1106485511 /nfs/dbraw/zinc/48/55/11/1106485511.db2.gz SHZLEMUFBDSZPT-JENIJYKNSA-N 2 2 300.446 3.123 20 0 DGADLP c1cn2cc(C[NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001256802298 1106487065 /nfs/dbraw/zinc/48/70/65/1106487065.db2.gz AGELOGXQXHFMAY-ZWKOTPCHSA-N 2 2 307.397 3.344 20 0 DGADLP CCC(CC)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001257287040 1106561274 /nfs/dbraw/zinc/56/12/74/1106561274.db2.gz LAUUWAXTWSWGQU-UHFFFAOYSA-N 2 2 301.525 3.216 20 0 DGADLP C[C@@H]1CC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC001257081004 1106535568 /nfs/dbraw/zinc/53/55/68/1106535568.db2.gz PGADICVAYCXQLD-KLHDSHLOSA-N 2 2 303.450 3.114 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001257211926 1106552264 /nfs/dbraw/zinc/55/22/64/1106552264.db2.gz ROIRPOOSEWYNJC-UHFFFAOYSA-N 3 2 307.526 3.103 20 0 DGADLP CCC[C@@H](CC)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257259760 1106557365 /nfs/dbraw/zinc/55/73/65/1106557365.db2.gz OESUGKWJANZNEH-OAHLLOKOSA-N 2 2 306.498 3.462 20 0 DGADLP CCC[C@@H](CC)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257259760 1106557366 /nfs/dbraw/zinc/55/73/66/1106557366.db2.gz OESUGKWJANZNEH-OAHLLOKOSA-N 2 2 306.498 3.462 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001257380779 1106577558 /nfs/dbraw/zinc/57/75/58/1106577558.db2.gz DUZXPAUUJSZRRA-HOTGVXAUSA-N 2 2 312.498 3.208 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001257380779 1106577560 /nfs/dbraw/zinc/57/75/60/1106577560.db2.gz DUZXPAUUJSZRRA-HOTGVXAUSA-N 2 2 312.498 3.208 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001257420042 1106585836 /nfs/dbraw/zinc/58/58/36/1106585836.db2.gz DETUUTLWRSFSRL-LMMKCTJWSA-N 2 2 301.478 3.414 20 0 DGADLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCC3(COC3)CC2)CC1 ZINC001257911794 1106646522 /nfs/dbraw/zinc/64/65/22/1106646522.db2.gz CWJJEVXNCCOEPS-UHFFFAOYSA-N 2 2 306.494 3.284 20 0 DGADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCC3(COC3)CC2)CC1 ZINC001257911794 1106646523 /nfs/dbraw/zinc/64/65/23/1106646523.db2.gz CWJJEVXNCCOEPS-UHFFFAOYSA-N 2 2 306.494 3.284 20 0 DGADLP Clc1ccc2c(c1)C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CO2 ZINC001257968446 1106652918 /nfs/dbraw/zinc/65/29/18/1106652918.db2.gz MADCGALLBGNHSQ-DOMZBBRYSA-N 2 2 317.820 3.180 20 0 DGADLP COc1ncccc1[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC001258007355 1106656789 /nfs/dbraw/zinc/65/67/89/1106656789.db2.gz CPWUFUHVPSLLBE-SFHVURJKSA-N 2 2 317.477 3.251 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCC=C(C)C)CC2)c1 ZINC001258097460 1106672293 /nfs/dbraw/zinc/67/22/93/1106672293.db2.gz KEGDSGGEARCTQM-INIZCTEOSA-N 2 2 303.450 3.347 20 0 DGADLP CSCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258217960 1106700060 /nfs/dbraw/zinc/70/00/60/1106700060.db2.gz UJXDVCAKEBUQEX-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258217960 1106700065 /nfs/dbraw/zinc/70/00/65/1106700065.db2.gz UJXDVCAKEBUQEX-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258217960 1106700068 /nfs/dbraw/zinc/70/00/68/1106700068.db2.gz UJXDVCAKEBUQEX-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258217960 1106700073 /nfs/dbraw/zinc/70/00/73/1106700073.db2.gz UJXDVCAKEBUQEX-GJZGRUSLSA-N 2 2 324.538 3.242 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001258396383 1106730391 /nfs/dbraw/zinc/73/03/91/1106730391.db2.gz POUUUPIAEKUKAB-JXFKEZNVSA-N 2 2 324.468 3.402 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001258396383 1106730395 /nfs/dbraw/zinc/73/03/95/1106730395.db2.gz POUUUPIAEKUKAB-JXFKEZNVSA-N 2 2 324.468 3.402 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258415681 1106737191 /nfs/dbraw/zinc/73/71/91/1106737191.db2.gz BIFVEQGOTIITDL-SFHVURJKSA-N 2 2 319.468 3.114 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258415681 1106737198 /nfs/dbraw/zinc/73/71/98/1106737198.db2.gz BIFVEQGOTIITDL-SFHVURJKSA-N 2 2 319.468 3.114 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CC1CC1)[C@@H]2C ZINC001258467088 1106764589 /nfs/dbraw/zinc/76/45/89/1106764589.db2.gz WJJYAFUJEDIKQP-LSDHHAIUSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CC1CC1)[C@@H]2C ZINC001258467088 1106764600 /nfs/dbraw/zinc/76/46/00/1106764600.db2.gz WJJYAFUJEDIKQP-LSDHHAIUSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)CC1CC1)[C@@H]2C ZINC001258467088 1106764605 /nfs/dbraw/zinc/76/46/05/1106764605.db2.gz WJJYAFUJEDIKQP-LSDHHAIUSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)CC1CC1)[C@@H]2C ZINC001258467088 1106764620 /nfs/dbraw/zinc/76/46/20/1106764620.db2.gz WJJYAFUJEDIKQP-LSDHHAIUSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CCC(C)(C)C1)CC2 ZINC001258601327 1106839852 /nfs/dbraw/zinc/83/98/52/1106839852.db2.gz UVHXYFPHMQXBTC-OAHLLOKOSA-N 2 2 318.509 3.462 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CCC(C)(C)C1)CC2 ZINC001258601327 1106839861 /nfs/dbraw/zinc/83/98/61/1106839861.db2.gz UVHXYFPHMQXBTC-OAHLLOKOSA-N 2 2 318.509 3.462 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC001258599439 1106840034 /nfs/dbraw/zinc/84/00/34/1106840034.db2.gz AVQQFVMNXIZVMA-IPMKNSEASA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC001258599439 1106840039 /nfs/dbraw/zinc/84/00/39/1106840039.db2.gz AVQQFVMNXIZVMA-IPMKNSEASA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604077 1106842727 /nfs/dbraw/zinc/84/27/27/1106842727.db2.gz VONVLXHEJXYHOM-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604077 1106842744 /nfs/dbraw/zinc/84/27/44/1106842744.db2.gz VONVLXHEJXYHOM-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604077 1106842757 /nfs/dbraw/zinc/84/27/57/1106842757.db2.gz VONVLXHEJXYHOM-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258604077 1106842765 /nfs/dbraw/zinc/84/27/65/1106842765.db2.gz VONVLXHEJXYHOM-CEXWTWQISA-N 2 2 313.489 3.414 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC001320087132 1106857309 /nfs/dbraw/zinc/85/73/09/1106857309.db2.gz UJDQDZHOYCLRPA-UHFFFAOYSA-N 2 2 318.490 3.240 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001258771601 1106967692 /nfs/dbraw/zinc/96/76/92/1106967692.db2.gz LKCIFZDHMKJVCR-UHFFFAOYSA-N 2 2 315.505 3.300 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790133 1106977632 /nfs/dbraw/zinc/97/76/32/1106977632.db2.gz IQWBIPYYCLUIFU-LSDHHAIUSA-N 2 2 316.449 3.492 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790133 1106977640 /nfs/dbraw/zinc/97/76/40/1106977640.db2.gz IQWBIPYYCLUIFU-LSDHHAIUSA-N 2 2 316.449 3.492 20 0 DGADLP CC[C@H](Cc1ccccc1)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258850615 1107025699 /nfs/dbraw/zinc/02/56/99/1107025699.db2.gz KULFSGLCVWIFPW-HXUWFJFHSA-N 3 2 319.537 3.213 20 0 DGADLP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317364908 1107267756 /nfs/dbraw/zinc/26/77/56/1107267756.db2.gz NDIBMKOMBYBCEE-DLBZAZTESA-N 2 2 317.477 3.438 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccccc1C ZINC001321819208 1107440467 /nfs/dbraw/zinc/44/04/67/1107440467.db2.gz PLMIBQIGEQSHEF-UHFFFAOYSA-N 2 2 306.369 3.065 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001263099078 1107944992 /nfs/dbraw/zinc/94/49/92/1107944992.db2.gz XWBUTPHAARTABH-XOKHGSTOSA-N 2 2 324.428 3.184 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001263099077 1107945710 /nfs/dbraw/zinc/94/57/10/1107945710.db2.gz XWBUTPHAARTABH-RRQGHBQHSA-N 2 2 324.428 3.184 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000378872141 1107997821 /nfs/dbraw/zinc/99/78/21/1107997821.db2.gz QJRJESTUDNWCAV-OAHLLOKOSA-N 2 2 303.454 3.039 20 0 DGADLP CCOC(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000379639668 1108034315 /nfs/dbraw/zinc/03/43/15/1108034315.db2.gz AXXJDACQDKMPJR-SJLPKXTDSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000379639668 1108034329 /nfs/dbraw/zinc/03/43/29/1108034329.db2.gz AXXJDACQDKMPJR-SJLPKXTDSA-N 2 2 320.477 3.028 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC001323890025 1108115189 /nfs/dbraw/zinc/11/51/89/1108115189.db2.gz XPBJXEWIBXMNTA-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC001323890025 1108115196 /nfs/dbraw/zinc/11/51/96/1108115196.db2.gz XPBJXEWIBXMNTA-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP CCc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)s1 ZINC001318603662 1108119684 /nfs/dbraw/zinc/11/96/84/1108119684.db2.gz HUSGECSQAZTLNA-UHFFFAOYSA-N 2 2 312.398 3.452 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CC2CCCCC2)c(C)[nH+]1 ZINC001265803002 1109008352 /nfs/dbraw/zinc/00/83/52/1109008352.db2.gz VLBWRKWZBUHIDM-HNNXBMFYSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCC(C)C)CCC2)c(C)[nH+]1 ZINC001280495092 1109213249 /nfs/dbraw/zinc/21/32/49/1109213249.db2.gz JYDJQTDCNGRIEG-UHFFFAOYSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(NCC2CC[NH+](C3CC3)CC2)nc(C2CCC2)[nH+]1 ZINC001307110268 1111266991 /nfs/dbraw/zinc/26/69/91/1111266991.db2.gz RIZOFEVDOOJYGG-UHFFFAOYSA-N 2 2 300.450 3.339 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001308188821 1111393218 /nfs/dbraw/zinc/39/32/18/1111393218.db2.gz MJFPBNXWBUGIBU-KBPBESRZSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1Br ZINC001308246664 1111403651 /nfs/dbraw/zinc/40/36/51/1111403651.db2.gz IQJUJXSIAFGESW-GFCCVEGCSA-N 2 2 322.250 3.380 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C2 ZINC001308292779 1111412118 /nfs/dbraw/zinc/41/21/18/1111412118.db2.gz DYXWAUZUDARUOQ-WBVHZDCISA-N 2 2 302.462 3.017 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C2 ZINC001308292779 1111412120 /nfs/dbraw/zinc/41/21/20/1111412120.db2.gz DYXWAUZUDARUOQ-WBVHZDCISA-N 2 2 302.462 3.017 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC001308338222 1111418151 /nfs/dbraw/zinc/41/81/51/1111418151.db2.gz SAANXYMCPCRRTR-IBGZPJMESA-N 2 2 324.472 3.451 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC001308338224 1111418268 /nfs/dbraw/zinc/41/82/68/1111418268.db2.gz SAANXYMCPCRRTR-LJQANCHMSA-N 2 2 324.472 3.451 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001308468074 1111431890 /nfs/dbraw/zinc/43/18/90/1111431890.db2.gz JFDVDPBCOSQEDQ-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001308468074 1111431891 /nfs/dbraw/zinc/43/18/91/1111431891.db2.gz JFDVDPBCOSQEDQ-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001308598927 1111449389 /nfs/dbraw/zinc/44/93/89/1111449389.db2.gz CCWDTRBWSUXEFA-KRWDZBQOSA-N 2 2 307.457 3.198 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001308598927 1111449392 /nfs/dbraw/zinc/44/93/92/1111449392.db2.gz CCWDTRBWSUXEFA-KRWDZBQOSA-N 2 2 307.457 3.198 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001308598927 1111449396 /nfs/dbraw/zinc/44/93/96/1111449396.db2.gz CCWDTRBWSUXEFA-KRWDZBQOSA-N 2 2 307.457 3.198 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001308598927 1111449398 /nfs/dbraw/zinc/44/93/98/1111449398.db2.gz CCWDTRBWSUXEFA-KRWDZBQOSA-N 2 2 307.457 3.198 20 0 DGADLP CO[C@@H](C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1)Cc1ccccc1 ZINC001308779376 1111474143 /nfs/dbraw/zinc/47/41/43/1111474143.db2.gz QWPJJDGLFZKKQR-VQTJNVASSA-N 2 2 318.505 3.344 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001308858262 1111485446 /nfs/dbraw/zinc/48/54/46/1111485446.db2.gz DMSGPNCBIZMXTC-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001308858262 1111485450 /nfs/dbraw/zinc/48/54/50/1111485450.db2.gz DMSGPNCBIZMXTC-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+][C@H](C)COC(C)=O)c1ccccc1 ZINC001308982707 1111504770 /nfs/dbraw/zinc/50/47/70/1111504770.db2.gz WCAZERAVMHRDEJ-CRAIPNDOSA-N 2 2 306.450 3.001 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000278515293 214204511 /nfs/dbraw/zinc/20/45/11/214204511.db2.gz XGHDBQHMYOQFOP-MRXNPFEDSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000278515293 214204515 /nfs/dbraw/zinc/20/45/15/214204515.db2.gz XGHDBQHMYOQFOP-MRXNPFEDSA-N 2 2 306.425 3.142 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278566184 214242381 /nfs/dbraw/zinc/24/23/81/214242381.db2.gz WWJDZTSACHZNMQ-FUHWJXTLSA-N 2 2 304.503 3.475 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000079000080 185144092 /nfs/dbraw/zinc/14/40/92/185144092.db2.gz WWXFBRHBNGBJET-UHFFFAOYSA-N 2 2 318.461 3.202 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000079000153 185144185 /nfs/dbraw/zinc/14/41/85/185144185.db2.gz DAGGDUAYOOIFRQ-UHFFFAOYSA-N 2 2 312.461 3.226 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000321567266 231204081 /nfs/dbraw/zinc/20/40/81/231204081.db2.gz IKKZFEQQVUWGEN-CWFSZBLJSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000321567266 231204085 /nfs/dbraw/zinc/20/40/85/231204085.db2.gz IKKZFEQQVUWGEN-CWFSZBLJSA-N 2 2 310.441 3.354 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C3CC3)C3CCC3)[nH+]c2)C1 ZINC000453181558 282201630 /nfs/dbraw/zinc/20/16/30/282201630.db2.gz ZCNWWGJDXXWWTN-MJGOQNOKSA-N 2 2 314.477 3.213 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C(C)(C)O ZINC000292884257 529585339 /nfs/dbraw/zinc/58/53/39/529585339.db2.gz CGINJWBFDRDFGA-KRWDZBQOSA-N 2 2 324.896 3.444 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090522971 185300276 /nfs/dbraw/zinc/30/02/76/185300276.db2.gz BESDKKJLSKQPSG-XIRDDKMYSA-N 2 2 306.450 3.007 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272827790 210227211 /nfs/dbraw/zinc/22/72/11/210227211.db2.gz PNAHKUJQZRBSFN-GHTZIAJQSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272827790 210227216 /nfs/dbraw/zinc/22/72/16/210227216.db2.gz PNAHKUJQZRBSFN-GHTZIAJQSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129528255 432006410 /nfs/dbraw/zinc/00/64/10/432006410.db2.gz QJQICTHVTLQMET-SJLPKXTDSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129528255 432006413 /nfs/dbraw/zinc/00/64/13/432006413.db2.gz QJQICTHVTLQMET-SJLPKXTDSA-N 2 2 313.445 3.462 20 0 DGADLP Clc1nc2ccccn2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648404 185331424 /nfs/dbraw/zinc/33/14/24/185331424.db2.gz LHQUGCCQSOMIGS-UHFFFAOYSA-N 2 2 315.808 3.021 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccs1 ZINC000157281163 282248920 /nfs/dbraw/zinc/24/89/20/282248920.db2.gz LHDMFEFPJJAMMG-ARFHVFGLSA-N 2 2 301.459 3.085 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccnc1 ZINC000092738367 185338000 /nfs/dbraw/zinc/33/80/00/185338000.db2.gz IGPXIGLZSVETOV-MRXNPFEDSA-N 2 2 306.413 3.220 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430662388 529988593 /nfs/dbraw/zinc/98/85/93/529988593.db2.gz IAICRGBPAOWWJF-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430662388 529988594 /nfs/dbraw/zinc/98/85/94/529988594.db2.gz IAICRGBPAOWWJF-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423272879 529985714 /nfs/dbraw/zinc/98/57/14/529985714.db2.gz KEXVFEGGNLTJBN-NEPJUHHUSA-N 2 2 307.438 3.455 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CC[NH+](C)C1 ZINC000434171813 530015915 /nfs/dbraw/zinc/01/59/15/530015915.db2.gz FHOSRVHOADBBNQ-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CC[NH+](C)C1 ZINC000434171813 530015917 /nfs/dbraw/zinc/01/59/17/530015917.db2.gz FHOSRVHOADBBNQ-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CC[N@H+](C)C1 ZINC000434171813 530015919 /nfs/dbraw/zinc/01/59/19/530015919.db2.gz FHOSRVHOADBBNQ-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000434171813 530015920 /nfs/dbraw/zinc/01/59/20/530015920.db2.gz FHOSRVHOADBBNQ-GFCCVEGCSA-N 2 2 307.488 3.255 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864171 530051929 /nfs/dbraw/zinc/05/19/29/530051929.db2.gz ZAFOHJWEXXSVDR-IFXJQAMLSA-N 2 2 311.473 3.345 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864171 530051930 /nfs/dbraw/zinc/05/19/30/530051930.db2.gz ZAFOHJWEXXSVDR-IFXJQAMLSA-N 2 2 311.473 3.345 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049304 530059743 /nfs/dbraw/zinc/05/97/43/530059743.db2.gz TUSCBBVVULSNKD-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049304 530059744 /nfs/dbraw/zinc/05/97/44/530059744.db2.gz TUSCBBVVULSNKD-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049304 530059745 /nfs/dbraw/zinc/05/97/45/530059745.db2.gz TUSCBBVVULSNKD-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049304 530059746 /nfs/dbraw/zinc/05/97/46/530059746.db2.gz TUSCBBVVULSNKD-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000181934762 199365407 /nfs/dbraw/zinc/36/54/07/199365407.db2.gz JGQNVUVCWVQWLS-AWEZNQCLSA-N 2 2 322.412 3.186 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489824136 535043047 /nfs/dbraw/zinc/04/30/47/535043047.db2.gz IGGRNZYNDWNEFC-UHOSZYNNSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489824136 535043062 /nfs/dbraw/zinc/04/30/62/535043062.db2.gz IGGRNZYNDWNEFC-UHOSZYNNSA-N 2 2 304.478 3.444 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666192 210073140 /nfs/dbraw/zinc/07/31/40/210073140.db2.gz SEMXENHGYSWRPS-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666192 210073142 /nfs/dbraw/zinc/07/31/42/210073142.db2.gz SEMXENHGYSWRPS-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666192 210073145 /nfs/dbraw/zinc/07/31/45/210073145.db2.gz SEMXENHGYSWRPS-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666192 210073147 /nfs/dbraw/zinc/07/31/47/210073147.db2.gz SEMXENHGYSWRPS-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccn1 ZINC000272663202 210066506 /nfs/dbraw/zinc/06/65/06/210066506.db2.gz IFKJJIAPQXQXMO-LBPRGKRZSA-N 2 2 301.356 3.149 20 0 DGADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423200891 282970708 /nfs/dbraw/zinc/97/07/08/282970708.db2.gz GVAXEJBBLFJDGG-ZIAGYGMSSA-N 2 2 317.433 3.278 20 0 DGADLP COC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC(C)CC1 ZINC000279677809 215056120 /nfs/dbraw/zinc/05/61/20/215056120.db2.gz IQHPQUHNOMEJFA-UHFFFAOYSA-N 2 2 317.477 3.235 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277577856 213632533 /nfs/dbraw/zinc/63/25/33/213632533.db2.gz SZSDTKFXWBLXAW-MRXNPFEDSA-N 2 2 314.477 3.362 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277577856 213632535 /nfs/dbraw/zinc/63/25/35/213632535.db2.gz SZSDTKFXWBLXAW-MRXNPFEDSA-N 2 2 314.477 3.362 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000121496759 185809277 /nfs/dbraw/zinc/80/92/77/185809277.db2.gz PAHXSOISFCTMDD-UHFFFAOYSA-N 2 2 318.465 3.270 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279960329 215272589 /nfs/dbraw/zinc/27/25/89/215272589.db2.gz IPMOMZKXHQGQBT-ZDUSSCGKSA-N 2 2 314.433 3.490 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287087190 219304394 /nfs/dbraw/zinc/30/43/94/219304394.db2.gz PCKVGSIKMFVBET-OXQOHEQNSA-N 2 2 321.424 3.127 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152459729 186075475 /nfs/dbraw/zinc/07/54/75/186075475.db2.gz FXEPAQNYDJXTDL-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152459729 186075478 /nfs/dbraw/zinc/07/54/78/186075478.db2.gz FXEPAQNYDJXTDL-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1cccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152459729 186075480 /nfs/dbraw/zinc/07/54/80/186075480.db2.gz FXEPAQNYDJXTDL-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1cccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152459729 186075482 /nfs/dbraw/zinc/07/54/82/186075482.db2.gz FXEPAQNYDJXTDL-MRXNPFEDSA-N 2 2 317.477 3.022 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)n2c1 ZINC000155684451 186103330 /nfs/dbraw/zinc/10/33/30/186103330.db2.gz SLZNKEHQFZEEBM-UHFFFAOYSA-N 3 2 300.450 3.042 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1OC ZINC000155736177 186107491 /nfs/dbraw/zinc/10/74/91/186107491.db2.gz LCPIAGWXPJJHGM-OAHLLOKOSA-N 2 2 317.433 3.421 20 0 DGADLP CC[C@H](C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000163936262 186142775 /nfs/dbraw/zinc/14/27/75/186142775.db2.gz YZPUHGUGSPRXBM-KSSFIOAISA-N 2 2 324.896 3.301 20 0 DGADLP Cc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000189946985 186253099 /nfs/dbraw/zinc/25/30/99/186253099.db2.gz FGESUMYZCGVAAY-GJZGRUSLSA-N 2 2 313.445 3.229 20 0 DGADLP COc1cc[nH+]c(CN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000106933655 432025683 /nfs/dbraw/zinc/02/56/83/432025683.db2.gz YVHVJBXSJRSIKW-UHFFFAOYSA-N 2 2 317.477 3.178 20 0 DGADLP COc1cc[nH+]c(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000106933655 432025686 /nfs/dbraw/zinc/02/56/86/432025686.db2.gz YVHVJBXSJRSIKW-UHFFFAOYSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000280046133 215336649 /nfs/dbraw/zinc/33/66/49/215336649.db2.gz PQFMWIPDBZZRKP-UHFFFAOYSA-N 2 2 324.428 3.198 20 0 DGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277247388 213393173 /nfs/dbraw/zinc/39/31/73/213393173.db2.gz QAVSAWXNNYLZND-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277247388 213393175 /nfs/dbraw/zinc/39/31/75/213393175.db2.gz QAVSAWXNNYLZND-CJNGLKHVSA-N 2 2 323.868 3.083 20 0 DGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171932721 198010544 /nfs/dbraw/zinc/01/05/44/198010544.db2.gz REONVRDFVUKBSX-UHFFFAOYSA-N 2 2 322.412 3.193 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000173614220 198232651 /nfs/dbraw/zinc/23/26/51/198232651.db2.gz QQWDLMYBYNVMGD-CYBMUJFWSA-N 2 2 323.868 3.129 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000067500493 432032412 /nfs/dbraw/zinc/03/24/12/432032412.db2.gz KOAZCPLHIGFNPS-LBPRGKRZSA-N 2 2 313.323 3.208 20 0 DGADLP C[C@H](C[NH2+]Cc1ccccc1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000067500491 432032536 /nfs/dbraw/zinc/03/25/36/432032536.db2.gz NROFTYVCMLIGKI-GFCCVEGCSA-N 2 2 313.323 3.208 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471778178 535215745 /nfs/dbraw/zinc/21/57/45/535215745.db2.gz CSTDZQLRHNHHLD-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471778178 535215751 /nfs/dbraw/zinc/21/57/51/535215751.db2.gz CSTDZQLRHNHHLD-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP CC[NH+](CC)C[C@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000174212459 198306197 /nfs/dbraw/zinc/30/61/97/198306197.db2.gz NXSOQXXBQRZHTM-CQSZACIVSA-N 2 2 320.868 3.151 20 0 DGADLP CC[N@H+](CCCOC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390710 198328873 /nfs/dbraw/zinc/32/88/73/198328873.db2.gz FXQVNHVZGISTRN-UHFFFAOYSA-N 2 2 319.493 3.435 20 0 DGADLP CC[N@@H+](CCCOC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390710 198328874 /nfs/dbraw/zinc/32/88/74/198328874.db2.gz FXQVNHVZGISTRN-UHFFFAOYSA-N 2 2 319.493 3.435 20 0 DGADLP CC[N@H+](CCOC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395332 198330142 /nfs/dbraw/zinc/33/01/42/198330142.db2.gz XHGXIYIOAWOIBG-UHFFFAOYSA-N 2 2 305.466 3.045 20 0 DGADLP CC[N@@H+](CCOC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395332 198330143 /nfs/dbraw/zinc/33/01/43/198330143.db2.gz XHGXIYIOAWOIBG-UHFFFAOYSA-N 2 2 305.466 3.045 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174517417 198345050 /nfs/dbraw/zinc/34/50/50/198345050.db2.gz JSOPRPVNGORROI-RHSMWYFYSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174517417 198345052 /nfs/dbraw/zinc/34/50/52/198345052.db2.gz JSOPRPVNGORROI-RHSMWYFYSA-N 2 2 312.461 3.061 20 0 DGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000163638316 432038136 /nfs/dbraw/zinc/03/81/36/432038136.db2.gz LOWKABWGNWRFJD-CTNGQTDRSA-N 2 2 321.468 3.439 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000163790377 432043524 /nfs/dbraw/zinc/04/35/24/432043524.db2.gz KDAGDQBWSBCCDK-AWEZNQCLSA-N 2 2 315.417 3.252 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccco1 ZINC000164402126 432047339 /nfs/dbraw/zinc/04/73/39/432047339.db2.gz KHKSBCNHJPRQSP-INIZCTEOSA-N 2 2 306.450 3.213 20 0 DGADLP CC[NH+](CC)CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000068030541 432049209 /nfs/dbraw/zinc/04/92/09/432049209.db2.gz COBAHNNUVTVEHI-UHFFFAOYSA-N 2 2 302.422 3.141 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164976179 432053056 /nfs/dbraw/zinc/05/30/56/432053056.db2.gz CJIANVIUSHJFEW-OVWQWFNUSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164976179 432053057 /nfs/dbraw/zinc/05/30/57/432053057.db2.gz CJIANVIUSHJFEW-OVWQWFNUSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164976179 432053059 /nfs/dbraw/zinc/05/30/59/432053059.db2.gz CJIANVIUSHJFEW-OVWQWFNUSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164976179 432053061 /nfs/dbraw/zinc/05/30/61/432053061.db2.gz CJIANVIUSHJFEW-OVWQWFNUSA-N 3 2 321.534 3.061 20 0 DGADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000166090816 432058577 /nfs/dbraw/zinc/05/85/77/432058577.db2.gz ZKICPMIYUOODGN-MJGOQNOKSA-N 2 2 302.462 3.230 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569757 192293785 /nfs/dbraw/zinc/29/37/85/192293785.db2.gz JNEAZNXDSYYXBG-QGZVFWFLSA-N 2 2 312.461 3.036 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569757 192293787 /nfs/dbraw/zinc/29/37/87/192293787.db2.gz JNEAZNXDSYYXBG-QGZVFWFLSA-N 2 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569757 192293790 /nfs/dbraw/zinc/29/37/90/192293790.db2.gz JNEAZNXDSYYXBG-QGZVFWFLSA-N 2 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081569757 192293792 /nfs/dbraw/zinc/29/37/92/192293792.db2.gz JNEAZNXDSYYXBG-QGZVFWFLSA-N 2 2 312.461 3.036 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000236948584 202088265 /nfs/dbraw/zinc/08/82/65/202088265.db2.gz DZVSNHYLIKUJOT-INIZCTEOSA-N 2 2 314.433 3.272 20 0 DGADLP C[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000166511924 432060525 /nfs/dbraw/zinc/06/05/25/432060525.db2.gz KTGSMZGMSBCVIK-GJYPPUQNSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000166511924 432060527 /nfs/dbraw/zinc/06/05/27/432060527.db2.gz KTGSMZGMSBCVIK-GJYPPUQNSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632702 432069486 /nfs/dbraw/zinc/06/94/86/432069486.db2.gz KZBOYYWGMYBXGQ-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632702 432069488 /nfs/dbraw/zinc/06/94/88/432069488.db2.gz KZBOYYWGMYBXGQ-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP Brc1ccc(C2([NH2+]CCn3cc[nH+]c3)CCC2)cc1 ZINC000179468116 199040928 /nfs/dbraw/zinc/04/09/28/199040928.db2.gz STJUGOYNBAARDT-UHFFFAOYSA-N 2 2 320.234 3.315 20 0 DGADLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccccc2)n1 ZINC000179903187 432073834 /nfs/dbraw/zinc/07/38/34/432073834.db2.gz VMSRMNPHAQGFSA-UHFFFAOYSA-N 2 2 321.428 3.121 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc2ccccc2n1C ZINC000180029450 199109750 /nfs/dbraw/zinc/10/97/50/199109750.db2.gz BTHDVIUFKUVKDG-CQSZACIVSA-N 2 2 312.461 3.098 20 0 DGADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000180553872 199175150 /nfs/dbraw/zinc/17/51/50/199175150.db2.gz BVWOFMRETHDIOR-ZDUSSCGKSA-N 2 2 301.287 3.306 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340207031 299277157 /nfs/dbraw/zinc/27/71/57/299277157.db2.gz SKKDEISPQTWYDT-OXJNMPFZSA-N 2 2 316.489 3.371 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340207031 299277161 /nfs/dbraw/zinc/27/71/61/299277161.db2.gz SKKDEISPQTWYDT-OXJNMPFZSA-N 2 2 316.489 3.371 20 0 DGADLP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000180717679 199201404 /nfs/dbraw/zinc/20/14/04/199201404.db2.gz OTSFUZQBSNEKON-ZBFHGGJFSA-N 2 2 311.385 3.015 20 0 DGADLP O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000180717679 199201407 /nfs/dbraw/zinc/20/14/07/199201407.db2.gz OTSFUZQBSNEKON-ZBFHGGJFSA-N 2 2 311.385 3.015 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+](C)CCCn3cc[nH+]c3)cc2)n1 ZINC000181081157 199249521 /nfs/dbraw/zinc/24/95/21/199249521.db2.gz NIQJVQWDCDXXIH-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCCn3cc[nH+]c3)cc2)n1 ZINC000181081157 199249523 /nfs/dbraw/zinc/24/95/23/199249523.db2.gz NIQJVQWDCDXXIH-UHFFFAOYSA-N 2 2 323.444 3.208 20 0 DGADLP [NH3+]CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000415051279 237034944 /nfs/dbraw/zinc/03/49/44/237034944.db2.gz JIEVNRMCEOEXOL-IBGZPJMESA-N 3 2 324.472 3.120 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](CCC[NH3+])c3ccccc3)c[nH+]c12 ZINC000415061863 237044796 /nfs/dbraw/zinc/04/47/96/237044796.db2.gz YXGWQMOWKZMGON-GOSISDBHSA-N 3 2 308.429 3.213 20 0 DGADLP Cc1cccn2c(C[NH2+]Cc3cccc4c3CCCN4)c[nH+]c12 ZINC000415033487 237023822 /nfs/dbraw/zinc/02/38/22/237023822.db2.gz KCPNSCLQVHHMKS-UHFFFAOYSA-N 2 2 306.413 3.291 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415108801 237083762 /nfs/dbraw/zinc/08/37/62/237083762.db2.gz PCKNLQCGGWPAOX-NJDAHSKKSA-N 2 2 323.484 3.372 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1c1ccccc1F ZINC000415125784 237096629 /nfs/dbraw/zinc/09/66/29/237096629.db2.gz PRQVJHAXYPCMOZ-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1ccccc1F ZINC000415125784 237096636 /nfs/dbraw/zinc/09/66/36/237096636.db2.gz PRQVJHAXYPCMOZ-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC000415132407 237106034 /nfs/dbraw/zinc/10/60/34/237106034.db2.gz UDMURGYTRGQHOJ-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1C[NH3+] ZINC000415132407 237106047 /nfs/dbraw/zinc/10/60/47/237106047.db2.gz UDMURGYTRGQHOJ-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)C1CCCCC1 ZINC000420371381 283454282 /nfs/dbraw/zinc/45/42/82/283454282.db2.gz PJUQEAKGRHTJDA-CQSZACIVSA-N 2 2 301.356 3.098 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000188112142 200195654 /nfs/dbraw/zinc/19/56/54/200195654.db2.gz CJHNIZKPHXPWEJ-IKGGRYGDSA-N 2 2 316.424 3.101 20 0 DGADLP CC(C)[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000188169010 200203409 /nfs/dbraw/zinc/20/34/09/200203409.db2.gz MPJBEATTZPSCMK-QGZVFWFLSA-N 2 2 316.424 3.101 20 0 DGADLP C[C@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCCC[NH2+]1 ZINC000237617955 202305746 /nfs/dbraw/zinc/30/57/46/202305746.db2.gz KTKHNAVQESLOIG-GOSISDBHSA-N 2 2 311.385 3.345 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCCO3)CC2)cc1 ZINC000237672079 202325308 /nfs/dbraw/zinc/32/53/08/202325308.db2.gz GYVZDFGVKKDSTI-GOSISDBHSA-N 2 2 322.880 3.463 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000188774348 200302199 /nfs/dbraw/zinc/30/21/99/200302199.db2.gz JDGASIHOIGLUEL-VHBXLISGSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000188774348 200302200 /nfs/dbraw/zinc/30/22/00/200302200.db2.gz JDGASIHOIGLUEL-VHBXLISGSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423367681 237844369 /nfs/dbraw/zinc/84/43/69/237844369.db2.gz DOBVCHVCOWGDLO-WDMOLILDSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000427872215 238004192 /nfs/dbraw/zinc/00/41/92/238004192.db2.gz JHZOGTJLEWBPEP-RISCZKNCSA-N 2 2 320.234 3.311 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427880245 238004559 /nfs/dbraw/zinc/00/45/59/238004559.db2.gz VKYQZZDADRDNLG-WCQYABFASA-N 2 2 305.809 3.211 20 0 DGADLP Cc1cccc(C2([NH2+]Cc3nc(C(C)(C)[NH3+])no3)CCCC2)c1 ZINC000431082452 238093613 /nfs/dbraw/zinc/09/36/13/238093613.db2.gz UOCUARKYBLYINE-UHFFFAOYSA-N 2 2 314.433 3.131 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccnn1-c1ccccc1 ZINC000423393831 299312027 /nfs/dbraw/zinc/31/20/27/299312027.db2.gz RIPYOFMEDVRKGO-YJBOKZPZSA-N 2 2 312.461 3.301 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1ccc(Br)cc1Cl)C1CC1 ZINC000430555340 238079862 /nfs/dbraw/zinc/07/98/62/238079862.db2.gz IEHKSRIMXVBWIW-ZDUSSCGKSA-N 2 2 317.658 3.320 20 0 DGADLP Cc1ccc([C@H](C)[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c(C)c1 ZINC000430571829 238080037 /nfs/dbraw/zinc/08/00/37/238080037.db2.gz MYCMMRZTJHJJSG-ZDUSSCGKSA-N 2 2 302.422 3.073 20 0 DGADLP Cc1ccc([C@H](C)[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c(C)c1 ZINC000430571829 238080038 /nfs/dbraw/zinc/08/00/38/238080038.db2.gz MYCMMRZTJHJJSG-ZDUSSCGKSA-N 2 2 302.422 3.073 20 0 DGADLP C[N@H+](CC[NH2+][C@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000281286278 216211625 /nfs/dbraw/zinc/21/16/25/216211625.db2.gz QDUAQMWYCUATHP-IBGZPJMESA-N 2 2 313.420 3.393 20 0 DGADLP C[N@@H+](CC[NH2+][C@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000281286278 216211627 /nfs/dbraw/zinc/21/16/27/216211627.db2.gz QDUAQMWYCUATHP-IBGZPJMESA-N 2 2 313.420 3.393 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccn1 ZINC000436050474 238389235 /nfs/dbraw/zinc/38/92/35/238389235.db2.gz IQGKAFCLTYEELZ-GJZGRUSLSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccn1 ZINC000436050474 238389240 /nfs/dbraw/zinc/38/92/40/238389240.db2.gz IQGKAFCLTYEELZ-GJZGRUSLSA-N 2 2 316.474 3.019 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000193158463 201001524 /nfs/dbraw/zinc/00/15/24/201001524.db2.gz ZMKCWKBHRBDIJF-HNNXBMFYSA-N 2 2 320.234 3.313 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000271877980 209289052 /nfs/dbraw/zinc/28/90/52/209289052.db2.gz OPVNJZUTXKTTCY-IUODEOHRSA-N 2 2 322.836 3.194 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)[nH+]c1 ZINC000194020148 201164153 /nfs/dbraw/zinc/16/41/53/201164153.db2.gz KPCGVGUDAIJPBC-BPQIPLTHSA-N 2 2 315.461 3.211 20 0 DGADLP c1coc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)c1 ZINC000194409917 201221283 /nfs/dbraw/zinc/22/12/83/201221283.db2.gz KRNQIEHYIJMPNN-CQSZACIVSA-N 2 2 317.458 3.321 20 0 DGADLP c1coc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)s2)c1 ZINC000194409917 201221287 /nfs/dbraw/zinc/22/12/87/201221287.db2.gz KRNQIEHYIJMPNN-CQSZACIVSA-N 2 2 317.458 3.321 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000271858661 209272675 /nfs/dbraw/zinc/27/26/75/209272675.db2.gz DQKWRVUKRSFUBD-MRXNPFEDSA-N 2 2 322.880 3.463 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@]2(CO)CCCc3ccccc32)c[nH+]1 ZINC000443069671 239169644 /nfs/dbraw/zinc/16/96/44/239169644.db2.gz NHECDTVNCSRDSR-HXUWFJFHSA-N 2 2 310.441 3.136 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccncc2OCC(F)F)c[nH+]1 ZINC000443071921 239169775 /nfs/dbraw/zinc/16/97/75/239169775.db2.gz RCIVRCWBWGBBRV-UHFFFAOYSA-N 2 2 321.371 3.151 20 0 DGADLP c1cc2[nH+]ccc(NC3CC[NH+](C4CCCCC4)CC3)c2cn1 ZINC000444072751 239255927 /nfs/dbraw/zinc/25/59/27/239255927.db2.gz FJVMJNMMIAXMKT-UHFFFAOYSA-N 2 2 310.445 3.261 20 0 DGADLP C[C@@H](CCO)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000271823035 209246486 /nfs/dbraw/zinc/24/64/86/209246486.db2.gz NGEGTBLADDKPSS-INIZCTEOSA-N 2 2 313.445 3.151 20 0 DGADLP c1cn(CCC[NH2+]Cc2ccc(Sc3ccccn3)o2)c[nH+]1 ZINC000292954708 223325576 /nfs/dbraw/zinc/32/55/76/223325576.db2.gz JVMKILRNARTCSK-UHFFFAOYSA-N 2 2 314.414 3.202 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3ccccc3)c2cc1C ZINC000271802511 209228782 /nfs/dbraw/zinc/22/87/82/209228782.db2.gz KIABQXGUWVABSR-AEFFLSMTSA-N 2 2 323.440 3.365 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CCC1 ZINC000449203601 240066776 /nfs/dbraw/zinc/06/67/76/240066776.db2.gz HKZLAHGVTQKESU-SJORKVTESA-N 2 2 302.466 3.213 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc2ccccc21 ZINC000449228688 240079553 /nfs/dbraw/zinc/07/95/53/240079553.db2.gz USUPLQIBBXHIIN-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc2ccccc21 ZINC000449228688 240079557 /nfs/dbraw/zinc/07/95/57/240079557.db2.gz USUPLQIBBXHIIN-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc2ccccc21 ZINC000449228688 240079560 /nfs/dbraw/zinc/07/95/60/240079560.db2.gz USUPLQIBBXHIIN-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc2ccccc21 ZINC000449228688 240079562 /nfs/dbraw/zinc/07/95/62/240079562.db2.gz USUPLQIBBXHIIN-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc2ccccc21 ZINC000449228689 240080589 /nfs/dbraw/zinc/08/05/89/240080589.db2.gz USUPLQIBBXHIIN-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc2ccccc21 ZINC000449228689 240080591 /nfs/dbraw/zinc/08/05/91/240080591.db2.gz USUPLQIBBXHIIN-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc2ccccc21 ZINC000449228689 240080593 /nfs/dbraw/zinc/08/05/93/240080593.db2.gz USUPLQIBBXHIIN-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc2ccccc21 ZINC000449228689 240080595 /nfs/dbraw/zinc/08/05/95/240080595.db2.gz USUPLQIBBXHIIN-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449378021 240163142 /nfs/dbraw/zinc/16/31/42/240163142.db2.gz QCXRFWOANQHHGQ-INIZCTEOSA-N 2 2 323.431 3.461 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000449384319 240168191 /nfs/dbraw/zinc/16/81/91/240168191.db2.gz AWWKIBSVACXNEH-VMWRSERWSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000449384319 240168193 /nfs/dbraw/zinc/16/81/93/240168193.db2.gz AWWKIBSVACXNEH-VMWRSERWSA-N 2 2 322.880 3.022 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000449325654 240131138 /nfs/dbraw/zinc/13/11/38/240131138.db2.gz OMOASTRBLLPJPX-KRWDZBQOSA-N 2 2 313.445 3.444 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449451530 240210996 /nfs/dbraw/zinc/21/09/96/240210996.db2.gz RIFQTTCZLYMJDE-RYRKJORJSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449451530 240210999 /nfs/dbraw/zinc/21/09/99/240210999.db2.gz RIFQTTCZLYMJDE-RYRKJORJSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1cccn2c(C[NH2+]CC(C)(C)C3(O)CCCC3)c[nH+]c12 ZINC000449737284 240392729 /nfs/dbraw/zinc/39/27/29/240392729.db2.gz RDIRIJWVFQRQBN-UHFFFAOYSA-N 2 2 301.434 3.064 20 0 DGADLP COc1cccnc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449745921 240398636 /nfs/dbraw/zinc/39/86/36/240398636.db2.gz DGVQBGFJTZGDLX-AWEZNQCLSA-N 2 2 322.412 3.435 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000451473134 241134711 /nfs/dbraw/zinc/13/47/11/241134711.db2.gz VKNRZWNQLIXOGR-KZNAEPCWSA-N 2 2 311.429 3.084 20 0 DGADLP CCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246282636 432115329 /nfs/dbraw/zinc/11/53/29/432115329.db2.gz BQDANKIBOPAXPH-AEFFLSMTSA-N 2 2 301.478 3.462 20 0 DGADLP CCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246282636 432115332 /nfs/dbraw/zinc/11/53/32/432115332.db2.gz BQDANKIBOPAXPH-AEFFLSMTSA-N 2 2 301.478 3.462 20 0 DGADLP Cc1ccn2c(CN3CC[N@@H+](C)C[C@H]3c3ccccc3)c[nH+]c2c1 ZINC000246317551 432118589 /nfs/dbraw/zinc/11/85/89/432118589.db2.gz RZMJXPWXAHGVJG-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP Cc1ccn2c(CN3CC[N@H+](C)C[C@H]3c3ccccc3)c[nH+]c2c1 ZINC000246317551 432118592 /nfs/dbraw/zinc/11/85/92/432118592.db2.gz RZMJXPWXAHGVJG-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000114708825 284110400 /nfs/dbraw/zinc/11/04/00/284110400.db2.gz RAOXZRQETNOGSL-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP CCC(O)(CC)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468379057 244038747 /nfs/dbraw/zinc/03/87/47/244038747.db2.gz ZKYXAALDEGNTDG-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468379057 244038751 /nfs/dbraw/zinc/03/87/51/244038751.db2.gz ZKYXAALDEGNTDG-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000422970002 296135512 /nfs/dbraw/zinc/13/55/12/296135512.db2.gz VOXPKHDYKSUBRF-YLJYHZDGSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852897 244127715 /nfs/dbraw/zinc/12/77/15/244127715.db2.gz IOMYQPUPPADWEN-NEPJUHHUSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852897 244127720 /nfs/dbraw/zinc/12/77/20/244127720.db2.gz IOMYQPUPPADWEN-NEPJUHHUSA-N 2 2 305.422 3.118 20 0 DGADLP COc1ccccc1/C=C/C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470018528 244139612 /nfs/dbraw/zinc/13/96/12/244139612.db2.gz OZDIDYLEUIJZAN-GQCTYLIASA-N 2 2 300.446 3.172 20 0 DGADLP CCN(C(=O)[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1)C1CCCCC1 ZINC000118986649 284131528 /nfs/dbraw/zinc/13/15/28/284131528.db2.gz GOFQFSQXGFMCIH-MRXNPFEDSA-N 2 2 323.525 3.019 20 0 DGADLP CC(C)C[C@@H](C[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000474278589 244382819 /nfs/dbraw/zinc/38/28/19/244382819.db2.gz PYDCVIRUKMDKOU-IBGZPJMESA-N 2 2 318.505 3.205 20 0 DGADLP CC(C)C[C@@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000474278589 244382824 /nfs/dbraw/zinc/38/28/24/244382824.db2.gz PYDCVIRUKMDKOU-IBGZPJMESA-N 2 2 318.505 3.205 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000119866124 284154062 /nfs/dbraw/zinc/15/40/62/284154062.db2.gz ITAZADDDOGNGJX-QKLQHJQFSA-N 2 2 316.489 3.097 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000119866124 284154064 /nfs/dbraw/zinc/15/40/64/284154064.db2.gz ITAZADDDOGNGJX-QKLQHJQFSA-N 2 2 316.489 3.097 20 0 DGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336998 193232792 /nfs/dbraw/zinc/23/27/92/193232792.db2.gz SAQYHDLRAVFQRJ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336998 193232794 /nfs/dbraw/zinc/23/27/94/193232794.db2.gz SAQYHDLRAVFQRJ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336998 193232796 /nfs/dbraw/zinc/23/27/96/193232796.db2.gz SAQYHDLRAVFQRJ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336998 193232797 /nfs/dbraw/zinc/23/27/97/193232797.db2.gz SAQYHDLRAVFQRJ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093604551 193273215 /nfs/dbraw/zinc/27/32/15/193273215.db2.gz FDUKRDVJKOENEI-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093604551 193273217 /nfs/dbraw/zinc/27/32/17/193273217.db2.gz FDUKRDVJKOENEI-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093692924 193291485 /nfs/dbraw/zinc/29/14/85/193291485.db2.gz NNWUHELAFJEACT-HNNXBMFYSA-N 2 2 316.449 3.142 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093692924 193291487 /nfs/dbraw/zinc/29/14/87/193291487.db2.gz NNWUHELAFJEACT-HNNXBMFYSA-N 2 2 316.449 3.142 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1OCCCO2 ZINC000093659890 193284564 /nfs/dbraw/zinc/28/45/64/193284564.db2.gz ZBCCRXTWKRLEFA-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1OCCCO2 ZINC000093659890 193284566 /nfs/dbraw/zinc/28/45/66/193284566.db2.gz ZBCCRXTWKRLEFA-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2c1OCCCO2 ZINC000093659890 193284567 /nfs/dbraw/zinc/28/45/67/193284567.db2.gz ZBCCRXTWKRLEFA-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2c1OCCCO2 ZINC000093659890 193284569 /nfs/dbraw/zinc/28/45/69/193284569.db2.gz ZBCCRXTWKRLEFA-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP CCC[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000093996586 193336799 /nfs/dbraw/zinc/33/67/99/193336799.db2.gz IWDZLHNXMMVSDF-AWEZNQCLSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000093996586 193336801 /nfs/dbraw/zinc/33/68/01/193336801.db2.gz IWDZLHNXMMVSDF-AWEZNQCLSA-N 2 2 315.230 3.162 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996636 193337030 /nfs/dbraw/zinc/33/70/30/193337030.db2.gz QBIVRSLNQDPHIT-ZYHUDNBSSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996636 193337032 /nfs/dbraw/zinc/33/70/32/193337032.db2.gz QBIVRSLNQDPHIT-ZYHUDNBSSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)C[C@H]3CC[NH+](C)C3)s2)o1 ZINC000120910485 284181425 /nfs/dbraw/zinc/18/14/25/284181425.db2.gz VLPXBJZRJRROML-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C[C@H]3CC[NH+](C)C3)s2)o1 ZINC000120910485 284181429 /nfs/dbraw/zinc/18/14/29/284181429.db2.gz VLPXBJZRJRROML-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@H]3CC[N@H+](C)C3)s2)o1 ZINC000120910485 284181432 /nfs/dbraw/zinc/18/14/32/284181432.db2.gz VLPXBJZRJRROML-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@H]3CC[N@@H+](C)C3)s2)o1 ZINC000120910485 284181434 /nfs/dbraw/zinc/18/14/34/284181434.db2.gz VLPXBJZRJRROML-ZDUSSCGKSA-N 2 2 305.447 3.095 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C/C=C/c1ccncc1)C2 ZINC000486981927 245010017 /nfs/dbraw/zinc/01/00/17/245010017.db2.gz ACWUSGXUOQYSQK-DWTRPJMMSA-N 2 2 310.445 3.193 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000122295762 284216542 /nfs/dbraw/zinc/21/65/42/284216542.db2.gz AFTGCJGRTSNTBZ-RISCZKNCSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122295762 284216546 /nfs/dbraw/zinc/21/65/46/284216546.db2.gz AFTGCJGRTSNTBZ-RISCZKNCSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487574035 245077707 /nfs/dbraw/zinc/07/77/07/245077707.db2.gz ODYCOSHMVOWZBB-KYVUIXNKSA-N 2 2 322.456 3.305 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC4(CC4)CC3)[nH+]c2)C1 ZINC000488457760 245197070 /nfs/dbraw/zinc/19/70/70/245197070.db2.gz HSTVAXTVQZHADW-QGZVFWFLSA-N 2 2 314.477 3.357 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488464237 245197498 /nfs/dbraw/zinc/19/74/98/245197498.db2.gz SQAUQSXFRBCSID-YOEHRIQHSA-N 2 2 303.475 3.464 20 0 DGADLP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)[nH]1 ZINC000488501192 245202125 /nfs/dbraw/zinc/20/21/25/245202125.db2.gz GNDGAHWNBUAEEX-CHWSQXEVSA-N 2 2 307.486 3.232 20 0 DGADLP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711758 245221493 /nfs/dbraw/zinc/22/14/93/245221493.db2.gz IPMMLFXOHSWWES-IJEWVQPXSA-N 2 2 302.466 3.075 20 0 DGADLP Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711758 245221497 /nfs/dbraw/zinc/22/14/97/245221497.db2.gz IPMMLFXOHSWWES-IJEWVQPXSA-N 2 2 302.466 3.075 20 0 DGADLP CC(C)c1nc(N2CC[C@]3(CC[N@H+](C)C3)C2)cc(C(C)(C)C)[nH+]1 ZINC000488748565 245229850 /nfs/dbraw/zinc/22/98/50/245229850.db2.gz PZVISYUWDVTHQI-IBGZPJMESA-N 2 2 316.493 3.430 20 0 DGADLP CC(C)c1nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C(C)(C)C)[nH+]1 ZINC000488748565 245229857 /nfs/dbraw/zinc/22/98/57/245229857.db2.gz PZVISYUWDVTHQI-IBGZPJMESA-N 2 2 316.493 3.430 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000271735206 209167247 /nfs/dbraw/zinc/16/72/47/209167247.db2.gz OGCSJYACCKNONI-MRXNPFEDSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000271735206 209167251 /nfs/dbraw/zinc/16/72/51/209167251.db2.gz OGCSJYACCKNONI-MRXNPFEDSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000271735203 209166914 /nfs/dbraw/zinc/16/69/14/209166914.db2.gz OGCSJYACCKNONI-INIZCTEOSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)n1 ZINC000271735203 209166916 /nfs/dbraw/zinc/16/69/16/209166916.db2.gz OGCSJYACCKNONI-INIZCTEOSA-N 2 2 321.428 3.190 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000457512543 284292525 /nfs/dbraw/zinc/29/25/25/284292525.db2.gz SXQPQTQSMCSKRM-UHFFFAOYSA-N 2 2 324.428 3.280 20 0 DGADLP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000282473047 217021915 /nfs/dbraw/zinc/02/19/15/217021915.db2.gz GPRMWXMVVXAEIP-HNNXBMFYSA-N 2 2 323.431 3.461 20 0 DGADLP Brc1sccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000282491718 217036031 /nfs/dbraw/zinc/03/60/31/217036031.db2.gz RCHANHDXNZZWHE-RYUDHWBXSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1sccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000282491718 217036034 /nfs/dbraw/zinc/03/60/34/217036034.db2.gz RCHANHDXNZZWHE-RYUDHWBXSA-N 2 2 315.280 3.227 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000282579714 217102583 /nfs/dbraw/zinc/10/25/83/217102583.db2.gz BDHKZLDSELPHBA-FEAKQIBJSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000282579714 217102585 /nfs/dbraw/zinc/10/25/85/217102585.db2.gz BDHKZLDSELPHBA-FEAKQIBJSA-N 2 2 324.428 3.436 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000282731920 217210521 /nfs/dbraw/zinc/21/05/21/217210521.db2.gz MPVFEUMXMPQLIA-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000282731920 217210523 /nfs/dbraw/zinc/21/05/23/217210523.db2.gz MPVFEUMXMPQLIA-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP CC[NH+](CC)[C@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000127350600 284336133 /nfs/dbraw/zinc/33/61/33/284336133.db2.gz FVGDSYYBDGQRBW-SFHVURJKSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ccc(C[NH2+]CCc2cc[nH+]cc2C)c(-c2cnn(C)c2)c1 ZINC000282747586 217221195 /nfs/dbraw/zinc/22/11/95/217221195.db2.gz UUSNQUPQBQHGIP-UHFFFAOYSA-N 2 2 320.440 3.431 20 0 DGADLP Cc1nc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000266103869 205099444 /nfs/dbraw/zinc/09/94/44/205099444.db2.gz IMSJMVWCBYWKLC-UHFFFAOYSA-N 2 2 316.836 3.151 20 0 DGADLP Cc1nc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000266103869 205099447 /nfs/dbraw/zinc/09/94/47/205099447.db2.gz IMSJMVWCBYWKLC-UHFFFAOYSA-N 2 2 316.836 3.151 20 0 DGADLP Cc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC000266437408 205345779 /nfs/dbraw/zinc/34/57/79/205345779.db2.gz VKTFDANXYKCHJB-UHFFFAOYSA-N 2 2 318.371 3.140 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000288547657 220225802 /nfs/dbraw/zinc/22/58/02/220225802.db2.gz XISQNLCYDNHCJB-LPHOPBHVSA-N 2 2 312.461 3.217 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000288547657 220225806 /nfs/dbraw/zinc/22/58/06/220225806.db2.gz XISQNLCYDNHCJB-LPHOPBHVSA-N 2 2 312.461 3.217 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000268782925 432132214 /nfs/dbraw/zinc/13/22/14/432132214.db2.gz AADRYUFEXHYQTJ-NWDGAFQWSA-N 2 2 323.824 3.293 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCc2ccccc2OC1)Cc1ccccc1 ZINC000493906983 246094745 /nfs/dbraw/zinc/09/47/45/246094745.db2.gz MVIDAQXNOVHQCG-LJQANCHMSA-N 2 2 310.441 3.102 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCc2ccccc2OC1)Cc1ccccc1 ZINC000493906983 246094750 /nfs/dbraw/zinc/09/47/50/246094750.db2.gz MVIDAQXNOVHQCG-LJQANCHMSA-N 2 2 310.441 3.102 20 0 DGADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061200 246108272 /nfs/dbraw/zinc/10/82/72/246108272.db2.gz UWEIUSGSIREJDE-IPELMVKDSA-N 2 2 316.489 3.226 20 0 DGADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061200 246108275 /nfs/dbraw/zinc/10/82/75/246108275.db2.gz UWEIUSGSIREJDE-IPELMVKDSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000494401979 246143664 /nfs/dbraw/zinc/14/36/64/246143664.db2.gz CJLNGUZLKOVFEV-CYBMUJFWSA-N 2 2 320.234 3.059 20 0 DGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cnc21 ZINC000267464621 206086512 /nfs/dbraw/zinc/08/65/12/206086512.db2.gz WBXZUDXXXPKSSN-HNNXBMFYSA-N 2 2 324.432 3.115 20 0 DGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cnc21 ZINC000267464621 206086514 /nfs/dbraw/zinc/08/65/14/206086514.db2.gz WBXZUDXXXPKSSN-HNNXBMFYSA-N 2 2 324.432 3.115 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)[nH]1 ZINC000267473406 206092777 /nfs/dbraw/zinc/09/27/77/206092777.db2.gz YQZGZTJALDXMHU-GOSISDBHSA-N 2 2 313.445 3.239 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)[nH]1 ZINC000267473406 206092781 /nfs/dbraw/zinc/09/27/81/206092781.db2.gz YQZGZTJALDXMHU-GOSISDBHSA-N 2 2 313.445 3.239 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000494920784 246210272 /nfs/dbraw/zinc/21/02/72/246210272.db2.gz HUPZIHFAGLOTNS-DOTOQJQBSA-N 2 2 319.497 3.138 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495125731 246238647 /nfs/dbraw/zinc/23/86/47/246238647.db2.gz CBSGFXVZPLPIJX-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495125731 246238649 /nfs/dbraw/zinc/23/86/49/246238649.db2.gz CBSGFXVZPLPIJX-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495125731 246238652 /nfs/dbraw/zinc/23/86/52/246238652.db2.gz CBSGFXVZPLPIJX-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495125731 246238656 /nfs/dbraw/zinc/23/86/56/246238656.db2.gz CBSGFXVZPLPIJX-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c[nH+]1 ZINC000495915871 246327379 /nfs/dbraw/zinc/32/73/79/246327379.db2.gz RJQJAVYCXPJRNY-CABCVRRESA-N 2 2 321.465 3.214 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268800992 432137613 /nfs/dbraw/zinc/13/76/13/432137613.db2.gz YKSMZJSRRPEBRH-BEVDRBHNSA-N 3 2 324.472 3.458 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268800992 432137616 /nfs/dbraw/zinc/13/76/16/432137616.db2.gz YKSMZJSRRPEBRH-BEVDRBHNSA-N 3 2 324.472 3.458 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002066 206387609 /nfs/dbraw/zinc/38/76/09/206387609.db2.gz BPOKGIAVWMNPLZ-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002066 206387611 /nfs/dbraw/zinc/38/76/11/206387611.db2.gz BPOKGIAVWMNPLZ-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136095364 432144968 /nfs/dbraw/zinc/14/49/68/432144968.db2.gz JTSUNPUTFCGSGG-PBHICJAKSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136095364 432144971 /nfs/dbraw/zinc/14/49/71/432144971.db2.gz JTSUNPUTFCGSGG-PBHICJAKSA-N 2 2 319.836 3.498 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000040600486 183108386 /nfs/dbraw/zinc/10/83/86/183108386.db2.gz WQYCKWFJNULJEQ-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000040600486 183108389 /nfs/dbraw/zinc/10/83/89/183108389.db2.gz WQYCKWFJNULJEQ-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427551 183269551 /nfs/dbraw/zinc/26/95/51/183269551.db2.gz MSICMDDDFJCHDW-PWSUYJOCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000042427551 183269552 /nfs/dbraw/zinc/26/95/52/183269552.db2.gz MSICMDDDFJCHDW-PWSUYJOCSA-N 2 2 315.230 3.147 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000105897699 194163475 /nfs/dbraw/zinc/16/34/75/194163475.db2.gz JNASXRARKKJIMY-GXTWGEPZSA-N 2 2 315.421 3.104 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000105897699 194163479 /nfs/dbraw/zinc/16/34/79/194163479.db2.gz JNASXRARKKJIMY-GXTWGEPZSA-N 2 2 315.421 3.104 20 0 DGADLP C[N@H+](Cc1cc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285360587 218397206 /nfs/dbraw/zinc/39/72/06/218397206.db2.gz BNAQDASGUIDWKZ-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285360587 218397208 /nfs/dbraw/zinc/39/72/08/218397208.db2.gz BNAQDASGUIDWKZ-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1cc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285360587 218397210 /nfs/dbraw/zinc/39/72/10/218397210.db2.gz BNAQDASGUIDWKZ-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1cc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285360587 218397212 /nfs/dbraw/zinc/39/72/12/218397212.db2.gz BNAQDASGUIDWKZ-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP Cc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc(=O)oc2c1 ZINC000109792144 194284570 /nfs/dbraw/zinc/28/45/70/194284570.db2.gz BQXNTBQNUHCVKD-UHFFFAOYSA-N 2 2 323.396 3.135 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000268864197 207034300 /nfs/dbraw/zinc/03/43/00/207034300.db2.gz STKPFKPKSVVVSS-NEPJUHHUSA-N 2 2 317.260 3.101 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000268925278 207090459 /nfs/dbraw/zinc/09/04/59/207090459.db2.gz VYAADKMSHZUHBV-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000268925278 207090463 /nfs/dbraw/zinc/09/04/63/207090463.db2.gz VYAADKMSHZUHBV-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000268987584 207145797 /nfs/dbraw/zinc/14/57/97/207145797.db2.gz FMTDMCOZVXLAGS-RRQGHBQHSA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000268987584 207145800 /nfs/dbraw/zinc/14/58/00/207145800.db2.gz FMTDMCOZVXLAGS-RRQGHBQHSA-N 2 2 318.461 3.227 20 0 DGADLP COCC[N@H+](C)CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000061377737 184169525 /nfs/dbraw/zinc/16/95/25/184169525.db2.gz SUSSASAVBMFPLK-UHFFFAOYSA-N 2 2 304.459 3.083 20 0 DGADLP COCC[N@@H+](C)CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000061377737 184169526 /nfs/dbraw/zinc/16/95/26/184169526.db2.gz SUSSASAVBMFPLK-UHFFFAOYSA-N 2 2 304.459 3.083 20 0 DGADLP C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269078078 207225490 /nfs/dbraw/zinc/22/54/90/207225490.db2.gz NXNFMOWRONQNLJ-KPOBHBOGSA-N 2 2 319.408 3.181 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2Br)CC1 ZINC000159280300 197342400 /nfs/dbraw/zinc/34/24/00/197342400.db2.gz SOMBGLDRJIQWPV-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000119905302 195059460 /nfs/dbraw/zinc/05/94/60/195059460.db2.gz SEGMBOPPLXGTSH-FCEWJHQRSA-N 2 2 320.477 3.235 20 0 DGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000119905302 195059461 /nfs/dbraw/zinc/05/94/61/195059461.db2.gz SEGMBOPPLXGTSH-FCEWJHQRSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000249001127 285044910 /nfs/dbraw/zinc/04/49/10/285044910.db2.gz MZYYTAJFNIEWAC-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000249001127 285044915 /nfs/dbraw/zinc/04/49/15/285044915.db2.gz MZYYTAJFNIEWAC-UXPWSPDFSA-N 2 2 316.489 3.038 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249410888 285072911 /nfs/dbraw/zinc/07/29/11/285072911.db2.gz XWWVGLQHAFOIBM-QLFBSQMISA-N 2 2 322.415 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249410888 285072912 /nfs/dbraw/zinc/07/29/12/285072912.db2.gz XWWVGLQHAFOIBM-QLFBSQMISA-N 2 2 322.415 3.054 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H](C)CC3(C)C)c2cc1C ZINC000336872096 253016084 /nfs/dbraw/zinc/01/60/84/253016084.db2.gz OMMRWPKQFGDEME-XJKSGUPXSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H](C)CC3(C)C)c2cc1C ZINC000336872096 253016087 /nfs/dbraw/zinc/01/60/87/253016087.db2.gz OMMRWPKQFGDEME-XJKSGUPXSA-N 2 2 315.461 3.134 20 0 DGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC000337410943 253110581 /nfs/dbraw/zinc/11/05/81/253110581.db2.gz WVPADCFJRHPSKA-CABCVRRESA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000337410943 253110583 /nfs/dbraw/zinc/11/05/83/253110583.db2.gz WVPADCFJRHPSKA-CABCVRRESA-N 2 2 320.477 3.016 20 0 DGADLP C[C@@H]1CCCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337526578 253133310 /nfs/dbraw/zinc/13/33/10/253133310.db2.gz RRVREWGGWSNMLY-KGLIPLIRSA-N 2 2 322.416 3.449 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000337780130 253173358 /nfs/dbraw/zinc/17/33/58/253173358.db2.gz AOMCBARAYGKAQX-NSISKUIASA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000337780130 253173362 /nfs/dbraw/zinc/17/33/62/253173362.db2.gz AOMCBARAYGKAQX-NSISKUIASA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000337780127 253173746 /nfs/dbraw/zinc/17/37/46/253173746.db2.gz AOMCBARAYGKAQX-AHRSYUTCSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000337780127 253173750 /nfs/dbraw/zinc/17/37/50/253173750.db2.gz AOMCBARAYGKAQX-AHRSYUTCSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338022936 253211887 /nfs/dbraw/zinc/21/18/87/253211887.db2.gz ZCAWXTIJOMFNBG-MAUKXSAKSA-N 2 2 313.445 3.464 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000338294649 253259417 /nfs/dbraw/zinc/25/94/17/253259417.db2.gz KSSZPFQDLDXDRF-AZUAARDMSA-N 3 2 317.521 3.219 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000338294649 253259419 /nfs/dbraw/zinc/25/94/19/253259419.db2.gz KSSZPFQDLDXDRF-AZUAARDMSA-N 3 2 317.521 3.219 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)[C@H]3CCOC3)ccc2n1C1CC1 ZINC000338783193 253350678 /nfs/dbraw/zinc/35/06/78/253350678.db2.gz UDMLVQHAGRVPQC-ZFWWWQNUSA-N 2 2 313.445 3.448 20 0 DGADLP Oc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000272948527 210335883 /nfs/dbraw/zinc/33/58/83/210335883.db2.gz VAYKTBHMFTYYRO-UHFFFAOYSA-N 2 2 320.330 3.038 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CC[C@@H]([NH+]4CCCCC4)C3)n2c1 ZINC000271150088 208661061 /nfs/dbraw/zinc/66/10/61/208661061.db2.gz DJTRKSCRDDIVFF-OAHLLOKOSA-N 2 2 318.852 3.048 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000282062670 285145714 /nfs/dbraw/zinc/14/57/14/285145714.db2.gz GTJZUMFHIQNCBF-WDSOQIARSA-N 2 2 304.478 3.393 20 0 DGADLP CCC1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000342595693 254016084 /nfs/dbraw/zinc/01/60/84/254016084.db2.gz MONACJYGYGXBKA-KVZIAJEVSA-N 2 2 302.462 3.056 20 0 DGADLP CCC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000342595693 254016087 /nfs/dbraw/zinc/01/60/87/254016087.db2.gz MONACJYGYGXBKA-KVZIAJEVSA-N 2 2 302.462 3.056 20 0 DGADLP CCC1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000342595695 254016269 /nfs/dbraw/zinc/01/62/69/254016269.db2.gz MONACJYGYGXBKA-NKELODKYSA-N 2 2 302.462 3.056 20 0 DGADLP CCC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000342595695 254016272 /nfs/dbraw/zinc/01/62/72/254016272.db2.gz MONACJYGYGXBKA-NKELODKYSA-N 2 2 302.462 3.056 20 0 DGADLP Clc1ccccc1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342613883 254018659 /nfs/dbraw/zinc/01/86/59/254018659.db2.gz ZMMLGHNMEQHRGF-UHFFFAOYSA-N 2 2 305.809 3.322 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1cnc(C(C)(C)C)nc1)C(C)C ZINC000342770422 254046791 /nfs/dbraw/zinc/04/67/91/254046791.db2.gz XIOQPLKLONPBNJ-UHFFFAOYSA-N 2 2 306.498 3.373 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1cn2cc(C)ccc2[nH+]1 ZINC000342768920 254046989 /nfs/dbraw/zinc/04/69/89/254046989.db2.gz NTKXROKNFBKHAC-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000342805252 254055199 /nfs/dbraw/zinc/05/51/99/254055199.db2.gz DUEGNSDSYXFKJK-KBXCAEBGSA-N 2 2 322.518 3.419 20 0 DGADLP C[C@@H](O)C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000157636706 197203852 /nfs/dbraw/zinc/20/38/52/197203852.db2.gz NGGZNCRHNKJORY-LSDHHAIUSA-N 2 2 324.896 3.301 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H]1C[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270617 254122805 /nfs/dbraw/zinc/12/28/05/254122805.db2.gz FJTJMDLVDQYASK-BHYGNILZSA-N 2 2 309.523 3.061 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270617 254122810 /nfs/dbraw/zinc/12/28/10/254122810.db2.gz FJTJMDLVDQYASK-BHYGNILZSA-N 2 2 309.523 3.061 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034130 254089080 /nfs/dbraw/zinc/08/90/80/254089080.db2.gz MHRQJTOMJCPNBY-XLIONFOSSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000343034130 254089082 /nfs/dbraw/zinc/08/90/82/254089082.db2.gz MHRQJTOMJCPNBY-XLIONFOSSA-N 3 2 315.505 3.102 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000343732993 254182607 /nfs/dbraw/zinc/18/26/07/254182607.db2.gz CXWPAUONMDXCDS-HNNXBMFYSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000343732993 254182608 /nfs/dbraw/zinc/18/26/08/254182608.db2.gz CXWPAUONMDXCDS-HNNXBMFYSA-N 2 2 318.804 3.397 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000343928897 254203540 /nfs/dbraw/zinc/20/35/40/254203540.db2.gz KSNSNRCUKMFRDG-FAEJEUNOSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000343928897 254203541 /nfs/dbraw/zinc/20/35/41/254203541.db2.gz KSNSNRCUKMFRDG-FAEJEUNOSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2cccnc2)cc1 ZINC000343952343 254206005 /nfs/dbraw/zinc/20/60/05/254206005.db2.gz FZOJMMUHSNVRNM-OAHLLOKOSA-N 2 2 308.385 3.421 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(CC)CC ZINC000344082488 254222407 /nfs/dbraw/zinc/22/24/07/254222407.db2.gz IHTBBKQBXCOVJJ-DLBZAZTESA-N 2 2 319.493 3.335 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C[C@@H]1OC ZINC000344118080 254228058 /nfs/dbraw/zinc/22/80/58/254228058.db2.gz YJPHIYIENJAGKP-OAGGEKHMSA-N 2 2 305.466 3.252 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C12CCC2 ZINC000344157076 254232931 /nfs/dbraw/zinc/23/29/31/254232931.db2.gz ZUSNVYMNPRHWHS-GBESFXJTSA-N 2 2 316.489 3.097 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000344194931 254237391 /nfs/dbraw/zinc/23/73/91/254237391.db2.gz IAFIQTUEIJMMSE-YOEHRIQHSA-N 2 2 304.482 3.040 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000344194931 254237392 /nfs/dbraw/zinc/23/73/92/254237392.db2.gz IAFIQTUEIJMMSE-YOEHRIQHSA-N 2 2 304.482 3.040 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000344664896 254294200 /nfs/dbraw/zinc/29/42/00/254294200.db2.gz IZHNEYSHMHERLQ-MJGOQNOKSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664896 254294201 /nfs/dbraw/zinc/29/42/01/254294201.db2.gz IZHNEYSHMHERLQ-MJGOQNOKSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664896 254294203 /nfs/dbraw/zinc/29/42/03/254294203.db2.gz IZHNEYSHMHERLQ-MJGOQNOKSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@@H+]1C ZINC000344664929 254294494 /nfs/dbraw/zinc/29/44/94/254294494.db2.gz JMCGNSTZLUVYAV-DGCLKSJQSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664929 254294495 /nfs/dbraw/zinc/29/44/95/254294495.db2.gz JMCGNSTZLUVYAV-DGCLKSJQSA-N 2 2 307.488 3.444 20 0 DGADLP Cc1cccc2nc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn21 ZINC000157085134 197161245 /nfs/dbraw/zinc/16/12/45/197161245.db2.gz LCBWEONNDDDBJM-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccc2nc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn21 ZINC000157085134 197161247 /nfs/dbraw/zinc/16/12/47/197161247.db2.gz LCBWEONNDDDBJM-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@@H+]1C ZINC000344320426 254256385 /nfs/dbraw/zinc/25/63/85/254256385.db2.gz CJAJMOIRHPHDSI-WBMJQRKESA-N 2 2 303.837 3.461 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@H+]1C ZINC000344320426 254256386 /nfs/dbraw/zinc/25/63/86/254256386.db2.gz CJAJMOIRHPHDSI-WBMJQRKESA-N 2 2 303.837 3.461 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000344334503 254258204 /nfs/dbraw/zinc/25/82/04/254258204.db2.gz QESGMIVLPSOIRM-SWLSCSKDSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000344334503 254258205 /nfs/dbraw/zinc/25/82/05/254258205.db2.gz QESGMIVLPSOIRM-SWLSCSKDSA-N 2 2 311.267 3.330 20 0 DGADLP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000344391334 254265514 /nfs/dbraw/zinc/26/55/14/254265514.db2.gz OLWSOXTUKWQEFP-YQQQUEKLSA-N 2 2 324.472 3.188 20 0 DGADLP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000344391334 254265515 /nfs/dbraw/zinc/26/55/15/254265515.db2.gz OLWSOXTUKWQEFP-YQQQUEKLSA-N 2 2 324.472 3.188 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3cccnc31)CCC2 ZINC000344524161 254279756 /nfs/dbraw/zinc/27/97/56/254279756.db2.gz XYGHIMOQAWLJOG-KRWDZBQOSA-N 2 2 306.413 3.407 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3cccnc31)CCC2 ZINC000344524165 254279836 /nfs/dbraw/zinc/27/98/36/254279836.db2.gz XYGHIMOQAWLJOG-QGZVFWFLSA-N 2 2 306.413 3.407 20 0 DGADLP CC[N@H+](Cc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000345196480 254340096 /nfs/dbraw/zinc/34/00/96/254340096.db2.gz DJQQOPPBZQKIGH-AWEZNQCLSA-N 2 2 311.267 3.413 20 0 DGADLP CC[N@@H+](Cc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000345196480 254340097 /nfs/dbraw/zinc/34/00/97/254340097.db2.gz DJQQOPPBZQKIGH-AWEZNQCLSA-N 2 2 311.267 3.413 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cnn1C(C)(C)C ZINC000345320489 254353268 /nfs/dbraw/zinc/35/32/68/254353268.db2.gz YUXPWHIROPXMSZ-IIYDPXPESA-N 2 2 304.482 3.080 20 0 DGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000272181199 285209946 /nfs/dbraw/zinc/20/99/46/285209946.db2.gz FWGRRISDFOLZJA-GDBMZVCRSA-N 2 2 314.433 3.296 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OCC ZINC000120351153 195149357 /nfs/dbraw/zinc/14/93/57/195149357.db2.gz FPDUPHAEOJBNRS-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000155163468 197027947 /nfs/dbraw/zinc/02/79/47/197027947.db2.gz OSBRLCVHIIWOLW-SFHVURJKSA-N 2 2 308.441 3.055 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000155163468 197027949 /nfs/dbraw/zinc/02/79/49/197027949.db2.gz OSBRLCVHIIWOLW-SFHVURJKSA-N 2 2 308.441 3.055 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@H](C)C1 ZINC000155012805 197013122 /nfs/dbraw/zinc/01/31/22/197013122.db2.gz DEIUAULZDCKOJU-OCCSQVGLSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@H](C)C1 ZINC000155012805 197013124 /nfs/dbraw/zinc/01/31/24/197013124.db2.gz DEIUAULZDCKOJU-OCCSQVGLSA-N 2 2 305.447 3.223 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000120444838 195167742 /nfs/dbraw/zinc/16/77/42/195167742.db2.gz XQJXOHNNIZXHNI-IEBWSBKVSA-N 2 2 324.472 3.055 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000120444838 195167743 /nfs/dbraw/zinc/16/77/43/195167743.db2.gz XQJXOHNNIZXHNI-IEBWSBKVSA-N 2 2 324.472 3.055 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000120767191 195233473 /nfs/dbraw/zinc/23/34/73/195233473.db2.gz UGFBTRCDZYBMSF-UHFFFAOYSA-N 2 2 316.449 3.166 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000271602898 209052160 /nfs/dbraw/zinc/05/21/60/209052160.db2.gz URUBYBITWRKMJF-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000289485539 221011190 /nfs/dbraw/zinc/01/11/90/221011190.db2.gz YKWGSJVRGDVXSI-UHFFFAOYSA-N 2 2 314.433 3.211 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCOC(C)(C)C1 ZINC000289733209 221187018 /nfs/dbraw/zinc/18/70/18/221187018.db2.gz JCIZCOOVAJFYEJ-MRXNPFEDSA-N 2 2 314.433 3.047 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCOC(C)(C)C1 ZINC000289733209 221187020 /nfs/dbraw/zinc/18/70/20/221187020.db2.gz JCIZCOOVAJFYEJ-MRXNPFEDSA-N 2 2 314.433 3.047 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Br)c1F ZINC000294909961 224302448 /nfs/dbraw/zinc/30/24/48/224302448.db2.gz CAQCMDJMYRCGRF-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@H](c4cccnc4)C3)n2c1 ZINC000294976275 224353061 /nfs/dbraw/zinc/35/30/61/224353061.db2.gz JJNINHHFFKWDPP-AEFFLSMTSA-N 2 2 322.412 3.048 20 0 DGADLP Cc1ccoc1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000121736410 195336909 /nfs/dbraw/zinc/33/69/09/195336909.db2.gz MHNFVFKBZKATHF-UHFFFAOYSA-N 2 2 314.433 3.132 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cnccn1 ZINC000125111554 195713048 /nfs/dbraw/zinc/71/30/48/195713048.db2.gz VQYVBHRMEFVDPJ-HZPDHXFCSA-N 2 2 310.445 3.353 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1F ZINC000432409520 533382046 /nfs/dbraw/zinc/38/20/46/533382046.db2.gz ZRLYTNFPOFYKQN-UONOGXRCSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1F ZINC000432409520 533382050 /nfs/dbraw/zinc/38/20/50/533382050.db2.gz ZRLYTNFPOFYKQN-UONOGXRCSA-N 2 2 312.404 3.116 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1O ZINC000414842743 533508427 /nfs/dbraw/zinc/50/84/27/533508427.db2.gz ZBVCDUPPDJZGKV-RHSMWYFYSA-N 2 2 314.429 3.012 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000431647355 533650554 /nfs/dbraw/zinc/65/05/54/533650554.db2.gz CSFZUIRLWCJGGA-BHIYHBOVSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000431647355 533650560 /nfs/dbraw/zinc/65/05/60/533650560.db2.gz CSFZUIRLWCJGGA-BHIYHBOVSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cn1 ZINC000356686664 285443934 /nfs/dbraw/zinc/44/39/34/285443934.db2.gz XSWOGNXHHDMODK-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cncs1 ZINC000164392683 132161924 /nfs/dbraw/zinc/16/19/24/132161924.db2.gz KTSQGRRWZLCVTN-OAHLLOKOSA-N 2 2 323.506 3.076 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837458 400096212 /nfs/dbraw/zinc/09/62/12/400096212.db2.gz FBHJFXISQLFRIO-WCQYABFASA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000292837458 400096218 /nfs/dbraw/zinc/09/62/18/400096218.db2.gz FBHJFXISQLFRIO-WCQYABFASA-N 2 2 317.389 3.038 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](CNc1[nH+]ccc3cc(F)ccc31)CCC2 ZINC000584777260 400101930 /nfs/dbraw/zinc/10/19/30/400101930.db2.gz MLIJTMRXOWHWRJ-CQSZACIVSA-N 2 2 310.376 3.290 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)c1sccc1Br ZINC000309653093 400132360 /nfs/dbraw/zinc/13/23/60/400132360.db2.gz YJKBJZXLHYAJFS-QMMMGPOBSA-N 2 2 300.225 3.095 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525359 400145561 /nfs/dbraw/zinc/14/55/61/400145561.db2.gz GFMIBGJROYBAFQ-OCCSQVGLSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525359 400145567 /nfs/dbraw/zinc/14/55/67/400145567.db2.gz GFMIBGJROYBAFQ-OCCSQVGLSA-N 2 2 303.381 3.040 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000315905574 400147829 /nfs/dbraw/zinc/14/78/29/400147829.db2.gz DNPYLVZUGAHFIY-OAHLLOKOSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000315905574 400147831 /nfs/dbraw/zinc/14/78/31/400147831.db2.gz DNPYLVZUGAHFIY-OAHLLOKOSA-N 2 2 303.381 3.184 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071876 400152306 /nfs/dbraw/zinc/15/23/06/400152306.db2.gz NRYZNFJDJLVPPD-AWEZNQCLSA-N 2 2 321.371 3.433 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071876 400152308 /nfs/dbraw/zinc/15/23/08/400152308.db2.gz NRYZNFJDJLVPPD-AWEZNQCLSA-N 2 2 321.371 3.433 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000092072343 400152432 /nfs/dbraw/zinc/15/24/32/400152432.db2.gz QLVMFOJTRALTOE-HNNXBMFYSA-N 2 2 315.417 3.197 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000092072343 400152437 /nfs/dbraw/zinc/15/24/37/400152437.db2.gz QLVMFOJTRALTOE-HNNXBMFYSA-N 2 2 315.417 3.197 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000092072668 400153725 /nfs/dbraw/zinc/15/37/25/400153725.db2.gz XPPRDEKDJCZHHP-OLZOCXBDSA-N 2 2 316.474 3.371 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000092072668 400153728 /nfs/dbraw/zinc/15/37/28/400153728.db2.gz XPPRDEKDJCZHHP-OLZOCXBDSA-N 2 2 316.474 3.371 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595719354 400241998 /nfs/dbraw/zinc/24/19/98/400241998.db2.gz QSQQOZYSQCPTCX-UHFFFAOYSA-N 2 2 321.465 3.025 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000093741922 400252960 /nfs/dbraw/zinc/25/29/60/400252960.db2.gz SBVVKGHNYGMRGS-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000093741922 400252962 /nfs/dbraw/zinc/25/29/62/400252962.db2.gz SBVVKGHNYGMRGS-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093741922 400252964 /nfs/dbraw/zinc/25/29/64/400252964.db2.gz SBVVKGHNYGMRGS-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093741922 400252967 /nfs/dbraw/zinc/25/29/67/400252967.db2.gz SBVVKGHNYGMRGS-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000588177161 400197405 /nfs/dbraw/zinc/19/74/05/400197405.db2.gz PZEVRKCCHVTZTQ-DPWKNNTCSA-N 2 2 302.462 3.036 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000588177161 400197411 /nfs/dbraw/zinc/19/74/11/400197411.db2.gz PZEVRKCCHVTZTQ-DPWKNNTCSA-N 2 2 302.462 3.036 20 0 DGADLP c1ccc2c(c1)n[nH]c2C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000589639043 400312588 /nfs/dbraw/zinc/31/25/88/400312588.db2.gz OTURIMDMAZNIFE-UHFFFAOYSA-N 2 2 320.440 3.101 20 0 DGADLP c1ccc2c(c1)n[nH]c2C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000589639043 400312590 /nfs/dbraw/zinc/31/25/90/400312590.db2.gz OTURIMDMAZNIFE-UHFFFAOYSA-N 2 2 320.440 3.101 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccc2[nH]cnc2c1)Cc1ccccc1 ZINC000589638403 400312694 /nfs/dbraw/zinc/31/26/94/400312694.db2.gz YOHZYQUAMRRCDP-UHFFFAOYSA-N 2 2 308.429 3.175 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccc2[nH]cnc2c1)Cc1ccccc1 ZINC000589638403 400312698 /nfs/dbraw/zinc/31/26/98/400312698.db2.gz YOHZYQUAMRRCDP-UHFFFAOYSA-N 2 2 308.429 3.175 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccc2nc[nH]c2c1)Cc1ccccc1 ZINC000589638403 400312700 /nfs/dbraw/zinc/31/27/00/400312700.db2.gz YOHZYQUAMRRCDP-UHFFFAOYSA-N 2 2 308.429 3.175 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccc2nc[nH]c2c1)Cc1ccccc1 ZINC000589638403 400312703 /nfs/dbraw/zinc/31/27/03/400312703.db2.gz YOHZYQUAMRRCDP-UHFFFAOYSA-N 2 2 308.429 3.175 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000589640981 400314657 /nfs/dbraw/zinc/31/46/57/400314657.db2.gz BAOWGAXUUHLYHY-HOTGVXAUSA-N 2 2 314.477 3.031 20 0 DGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000030655458 400330762 /nfs/dbraw/zinc/33/07/62/400330762.db2.gz YGKNENLJWMNAOI-XJKSGUPXSA-N 2 2 308.385 3.274 20 0 DGADLP CCCOc1ccc(OCC[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000108369110 400343003 /nfs/dbraw/zinc/34/30/03/400343003.db2.gz LLLKPHGIOHFQNS-UHFFFAOYSA-N 2 2 320.477 3.317 20 0 DGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(=O)OC)cc1 ZINC000590239848 400371193 /nfs/dbraw/zinc/37/11/93/400371193.db2.gz OSTDMUKRJQFLKA-QGZVFWFLSA-N 2 2 315.417 3.191 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000596654705 400473716 /nfs/dbraw/zinc/47/37/16/400473716.db2.gz MGCHWRZSYSYPBD-GXFFZTMASA-N 2 2 306.397 3.307 20 0 DGADLP Clc1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591082364 400484857 /nfs/dbraw/zinc/48/48/57/400484857.db2.gz FUNFSPZNCNNUEO-HNNXBMFYSA-N 2 2 305.809 3.252 20 0 DGADLP C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000074198695 400496487 /nfs/dbraw/zinc/49/64/87/400496487.db2.gz LENQZXJQQHKUNE-OAHLLOKOSA-N 2 2 312.417 3.075 20 0 DGADLP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000597155027 400573176 /nfs/dbraw/zinc/57/31/76/400573176.db2.gz RBSQWNUUOKIJQT-MRXNPFEDSA-N 2 2 321.465 3.110 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000076002933 400627060 /nfs/dbraw/zinc/62/70/60/400627060.db2.gz FHBCTAZHYCTIIV-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000076002933 400627066 /nfs/dbraw/zinc/62/70/66/400627066.db2.gz FHBCTAZHYCTIIV-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000161588336 400741051 /nfs/dbraw/zinc/74/10/51/400741051.db2.gz KITRJXSYZLFJJE-UHFFFAOYSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000603517334 400697248 /nfs/dbraw/zinc/69/72/48/400697248.db2.gz PQAWZSRGHVXFLH-JLSDUUJJSA-N 2 2 318.461 3.136 20 0 DGADLP c1ccc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000078337210 400789711 /nfs/dbraw/zinc/78/97/11/400789711.db2.gz QSSNVKSHVHJQBL-UHFFFAOYSA-N 2 2 306.413 3.275 20 0 DGADLP c1ccc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000078337210 400789715 /nfs/dbraw/zinc/78/97/15/400789715.db2.gz QSSNVKSHVHJQBL-UHFFFAOYSA-N 2 2 306.413 3.275 20 0 DGADLP CS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000593653953 400887844 /nfs/dbraw/zinc/88/78/44/400887844.db2.gz LFZSJAOMFAOYOD-QZTJIDSGSA-N 2 2 319.518 3.310 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]CC(C)(C)C)CC2)c1 ZINC000237680379 400992567 /nfs/dbraw/zinc/99/25/67/400992567.db2.gz SUUBNFZFPUBIFN-UHFFFAOYSA-N 2 2 303.494 3.143 20 0 DGADLP CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC000081023668 401020331 /nfs/dbraw/zinc/02/03/31/401020331.db2.gz UVYBYGCXLUBRQG-UHFFFAOYSA-N 2 2 312.417 3.136 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000599298882 401013349 /nfs/dbraw/zinc/01/33/49/401013349.db2.gz AIAKIXHOQQHNOE-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000599298882 401013357 /nfs/dbraw/zinc/01/33/57/401013357.db2.gz AIAKIXHOQQHNOE-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000599298882 401013366 /nfs/dbraw/zinc/01/33/66/401013366.db2.gz AIAKIXHOQQHNOE-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000599298882 401013371 /nfs/dbraw/zinc/01/33/71/401013371.db2.gz AIAKIXHOQQHNOE-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629560790 400975721 /nfs/dbraw/zinc/97/57/21/400975721.db2.gz PEFATIQXCXVNJW-OLZOCXBDSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629560790 400975726 /nfs/dbraw/zinc/97/57/26/400975726.db2.gz PEFATIQXCXVNJW-OLZOCXBDSA-N 2 2 304.331 3.093 20 0 DGADLP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560248 400975750 /nfs/dbraw/zinc/97/57/50/400975750.db2.gz DWENHMHJEPVHCP-MDZLAQPJSA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560248 400975753 /nfs/dbraw/zinc/97/57/53/400975753.db2.gz DWENHMHJEPVHCP-MDZLAQPJSA-N 2 2 304.331 3.346 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629561268 400975970 /nfs/dbraw/zinc/97/59/70/400975970.db2.gz HJFNDOGBKMUQKZ-MNOVXSKESA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629561268 400975974 /nfs/dbraw/zinc/97/59/74/400975974.db2.gz HJFNDOGBKMUQKZ-MNOVXSKESA-N 2 2 324.749 3.438 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656380 401021918 /nfs/dbraw/zinc/02/19/18/401021918.db2.gz NWRFAOCPDHQARG-STQMWFEESA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656380 401021920 /nfs/dbraw/zinc/02/19/20/401021920.db2.gz NWRFAOCPDHQARG-STQMWFEESA-N 2 2 304.331 3.093 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000625379677 401115028 /nfs/dbraw/zinc/11/50/28/401115028.db2.gz ASHLMDAGPSZSJU-OAHLLOKOSA-N 2 2 304.777 3.094 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000249627641 401087210 /nfs/dbraw/zinc/08/72/10/401087210.db2.gz UKGYBAZOHDUXTA-DEYYWGMASA-N 2 2 300.446 3.287 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000249627641 401087216 /nfs/dbraw/zinc/08/72/16/401087216.db2.gz UKGYBAZOHDUXTA-DEYYWGMASA-N 2 2 300.446 3.287 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c1 ZINC000620439871 401095293 /nfs/dbraw/zinc/09/52/93/401095293.db2.gz SOVJIKJELDCWEG-GOSISDBHSA-N 2 2 304.478 3.058 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000620439871 401095295 /nfs/dbraw/zinc/09/52/95/401095295.db2.gz SOVJIKJELDCWEG-GOSISDBHSA-N 2 2 304.478 3.058 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)c[nH+]1 ZINC000594732936 401163082 /nfs/dbraw/zinc/16/30/82/401163082.db2.gz UBWZDOXUYZTAHI-OAHLLOKOSA-N 2 2 314.414 3.437 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)c[nH+]1 ZINC000594732936 401163089 /nfs/dbraw/zinc/16/30/89/401163089.db2.gz UBWZDOXUYZTAHI-OAHLLOKOSA-N 2 2 314.414 3.437 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257698 286013009 /nfs/dbraw/zinc/01/30/09/286013009.db2.gz SHXVYAZVSHFJBQ-AUUYWEPGSA-N 2 2 316.445 3.021 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257698 286013010 /nfs/dbraw/zinc/01/30/10/286013010.db2.gz SHXVYAZVSHFJBQ-AUUYWEPGSA-N 2 2 316.445 3.021 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000630072676 401177090 /nfs/dbraw/zinc/17/70/90/401177090.db2.gz IAAZCHONVQBPKV-UHFFFAOYSA-N 2 2 309.404 3.470 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362436 286042056 /nfs/dbraw/zinc/04/20/56/286042056.db2.gz YEMHBCBQEWYLFX-WMLDXEAASA-N 2 2 323.431 3.460 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362436 286042057 /nfs/dbraw/zinc/04/20/57/286042057.db2.gz YEMHBCBQEWYLFX-WMLDXEAASA-N 2 2 323.431 3.460 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000090046856 401249959 /nfs/dbraw/zinc/24/99/59/401249959.db2.gz FRXXTAAPRNYQCS-QWHCGFSZSA-N 2 2 314.832 3.241 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678353 401330693 /nfs/dbraw/zinc/33/06/93/401330693.db2.gz QDOAQQFPSBMCRF-ROUUACIJSA-N 2 2 304.478 3.399 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1csnn1 ZINC000626063453 401292562 /nfs/dbraw/zinc/29/25/62/401292562.db2.gz DXFBCBIUQIMRKY-CYBMUJFWSA-N 2 2 304.463 3.183 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1csnn1 ZINC000626063453 401292565 /nfs/dbraw/zinc/29/25/65/401292565.db2.gz DXFBCBIUQIMRKY-CYBMUJFWSA-N 2 2 304.463 3.183 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+][C@H](c3cccnc3)C3CC3)CC2)c1 ZINC000358368205 286043383 /nfs/dbraw/zinc/04/33/83/286043383.db2.gz ODAGKQJIRWYQBA-FQEVSTJZSA-N 2 2 322.456 3.182 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783094 401299920 /nfs/dbraw/zinc/29/99/20/401299920.db2.gz XCMGEAZMTFPBQU-YOEHRIQHSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783094 401299923 /nfs/dbraw/zinc/29/99/23/401299923.db2.gz XCMGEAZMTFPBQU-YOEHRIQHSA-N 2 2 301.821 3.201 20 0 DGADLP COc1cc(F)cc(OC)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000631035155 401374654 /nfs/dbraw/zinc/37/46/54/401374654.db2.gz JZFQCVLAOKLOGU-UHFFFAOYSA-N 2 2 324.440 3.242 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000631043935 401377044 /nfs/dbraw/zinc/37/70/44/401377044.db2.gz GYBVXXDNULTOEG-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc2nccnc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000634975843 401393748 /nfs/dbraw/zinc/39/37/48/401393748.db2.gz ITAXKKHFLRBCON-FOIQADDNSA-N 2 2 320.440 3.411 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000631105156 401395697 /nfs/dbraw/zinc/39/56/97/401395697.db2.gz HOHCVXCSWVDZSC-UHFFFAOYSA-N 2 2 320.820 3.393 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000635010290 401402515 /nfs/dbraw/zinc/40/25/15/401402515.db2.gz JJWKHWSYMMWXSM-WBVHZDCISA-N 3 2 312.461 3.301 20 0 DGADLP CC(C)C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)n1cc[nH+]c1 ZINC000635348953 401432552 /nfs/dbraw/zinc/43/25/52/401432552.db2.gz VPLYZVZOFCWCGW-QGZVFWFLSA-N 2 2 323.400 3.295 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)[C@H]1CC2CCC1CC2 ZINC000623015182 401454215 /nfs/dbraw/zinc/45/42/15/401454215.db2.gz LCFAGGQKPBGVER-VVSMQXAESA-N 2 2 317.477 3.445 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(OC)c1OC ZINC000631563239 401497822 /nfs/dbraw/zinc/49/78/22/401497822.db2.gz NEEWUWSDUJAVHN-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(OC)c1OC ZINC000631563239 401497823 /nfs/dbraw/zinc/49/78/23/401497823.db2.gz NEEWUWSDUJAVHN-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000631565143 401498990 /nfs/dbraw/zinc/49/89/90/401498990.db2.gz CKYDTEWLEUYBGX-SFHVURJKSA-N 2 2 307.397 3.163 20 0 DGADLP c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000631570974 401501290 /nfs/dbraw/zinc/50/12/90/401501290.db2.gz ZNZXPBOBULIDNC-HXUWFJFHSA-N 2 2 322.456 3.108 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623473233 401526552 /nfs/dbraw/zinc/52/65/52/401526552.db2.gz OROHXVXRERIYKM-UHFFFAOYSA-N 2 2 305.372 3.067 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000631661675 401527895 /nfs/dbraw/zinc/52/78/95/401527895.db2.gz BKVQMJBPSVEHTA-FPAYPSAMSA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000631661675 401527900 /nfs/dbraw/zinc/52/79/00/401527900.db2.gz BKVQMJBPSVEHTA-FPAYPSAMSA-N 2 2 324.472 3.247 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000628146378 401533599 /nfs/dbraw/zinc/53/35/99/401533599.db2.gz MUSXVHKPQABFJX-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP Cn1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)nc2ccc(Cl)cc21 ZINC000623657202 401563797 /nfs/dbraw/zinc/56/37/97/401563797.db2.gz LCEYOKQRBXJGDZ-CYBMUJFWSA-N 2 2 320.868 3.048 20 0 DGADLP Cn1c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nc2ccc(Cl)cc21 ZINC000623657202 401563799 /nfs/dbraw/zinc/56/37/99/401563799.db2.gz LCEYOKQRBXJGDZ-CYBMUJFWSA-N 2 2 320.868 3.048 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCc2scnc21 ZINC000623853765 401587957 /nfs/dbraw/zinc/58/79/57/401587957.db2.gz HCBDSQNPLFNWBO-AWEZNQCLSA-N 2 2 312.442 3.468 20 0 DGADLP CC[C@H](CCc1ccccc1)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000623903494 401597193 /nfs/dbraw/zinc/59/71/93/401597193.db2.gz ISWCXJWHUILMRW-GOSISDBHSA-N 2 2 304.478 3.098 20 0 DGADLP Cc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH+]1 ZINC000628169325 401541120 /nfs/dbraw/zinc/54/11/20/401541120.db2.gz ZNJUIYOQJYTAGW-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH+]1 ZINC000628169325 401541122 /nfs/dbraw/zinc/54/11/22/401541122.db2.gz ZNJUIYOQJYTAGW-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnc(C3CC3)o2)c[nH+]1 ZINC000628201378 401549321 /nfs/dbraw/zinc/54/93/21/401549321.db2.gz CXXWBPMQUOKABF-UHFFFAOYSA-N 2 2 308.385 3.087 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000628452776 401598625 /nfs/dbraw/zinc/59/86/25/401598625.db2.gz ZXHWLVZRWJNUEM-NSCUHMNNSA-N 2 2 318.436 3.026 20 0 DGADLP Cc1ccc([C@H](C)C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000628238666 401557388 /nfs/dbraw/zinc/55/73/88/401557388.db2.gz INOYGKBTGRZGEH-MRXNPFEDSA-N 2 2 310.445 3.019 20 0 DGADLP OCC[NH2+]C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000631864329 401561721 /nfs/dbraw/zinc/56/17/21/401561721.db2.gz NLRYRZXQHCCPAH-UHFFFAOYSA-N 2 2 324.877 3.101 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624109033 401627241 /nfs/dbraw/zinc/62/72/41/401627241.db2.gz LIRRLXHYUWGZOT-NVXWUHKLSA-N 2 2 301.434 3.320 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cc(C)ccc1C ZINC000623991398 401609868 /nfs/dbraw/zinc/60/98/68/401609868.db2.gz GTECFNNJFNPEON-IEBWSBKVSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cc(C)ccc1C ZINC000623991398 401609869 /nfs/dbraw/zinc/60/98/69/401609869.db2.gz GTECFNNJFNPEON-IEBWSBKVSA-N 2 2 304.478 3.191 20 0 DGADLP Cc1csc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)n1 ZINC000624006466 401611504 /nfs/dbraw/zinc/61/15/04/401611504.db2.gz XZTAYJJVEPVWNY-CYBMUJFWSA-N 2 2 300.431 3.301 20 0 DGADLP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624014971 401613096 /nfs/dbraw/zinc/61/30/96/401613096.db2.gz LJIRHYYAUJEHLZ-ICSRJNTNSA-N 2 2 316.489 3.241 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000629386284 401683176 /nfs/dbraw/zinc/68/31/76/401683176.db2.gz RPARENRNUVXCJS-ZDUSSCGKSA-N 2 2 302.315 3.219 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000358838953 286165963 /nfs/dbraw/zinc/16/59/63/286165963.db2.gz YWJGYENRHGMPJB-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000358838953 286165964 /nfs/dbraw/zinc/16/59/64/286165964.db2.gz YWJGYENRHGMPJB-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000359117813 286241033 /nfs/dbraw/zinc/24/10/33/286241033.db2.gz SXIIQXNYKVXFHZ-RSPOEFSDSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000359117813 286241034 /nfs/dbraw/zinc/24/10/34/286241034.db2.gz SXIIQXNYKVXFHZ-RSPOEFSDSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)C1 ZINC000359117811 286241043 /nfs/dbraw/zinc/24/10/43/286241043.db2.gz SXIIQXNYKVXFHZ-GTAWCEEGSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000359117811 286241045 /nfs/dbraw/zinc/24/10/45/286241045.db2.gz SXIIQXNYKVXFHZ-GTAWCEEGSA-N 3 2 319.537 3.246 20 0 DGADLP CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000359248776 286268617 /nfs/dbraw/zinc/26/86/17/286268617.db2.gz WNVUVOGKOFEIHS-UHFFFAOYSA-N 2 2 314.433 3.043 20 0 DGADLP CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000359248776 286268621 /nfs/dbraw/zinc/26/86/21/286268621.db2.gz WNVUVOGKOFEIHS-UHFFFAOYSA-N 2 2 314.433 3.043 20 0 DGADLP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000359332481 286286063 /nfs/dbraw/zinc/28/60/63/286286063.db2.gz NWUGEKUHNQQBSE-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP COCC1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000414316422 292263228 /nfs/dbraw/zinc/26/32/28/292263228.db2.gz UOKVKXQSGXCLGI-UHFFFAOYSA-N 2 2 322.415 3.198 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000423323438 286363070 /nfs/dbraw/zinc/36/30/70/286363070.db2.gz HIZZWOQBSSXROR-PWRODBHTSA-N 2 2 322.452 3.418 20 0 DGADLP COC1(C[NH2+]CCCc2[nH+]c3ccccc3n2C)CCCCC1 ZINC000359728077 286369219 /nfs/dbraw/zinc/36/92/19/286369219.db2.gz HPJOEXMGYIRLEH-UHFFFAOYSA-N 2 2 315.461 3.445 20 0 DGADLP CC[NH+](CC)[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000359782315 286379239 /nfs/dbraw/zinc/37/92/39/286379239.db2.gz FSZFSFOFRGLHAN-GOSISDBHSA-N 2 2 322.412 3.356 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C12CCC2 ZINC000315811150 286388658 /nfs/dbraw/zinc/38/86/58/286388658.db2.gz DLJHPUITJYRYBN-OKZBNKHCSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000360425260 286479058 /nfs/dbraw/zinc/47/90/58/286479058.db2.gz AAOMKBWZKLONKU-RBUKOAKNSA-N 2 2 302.462 3.187 20 0 DGADLP COc1cccc2c(NCC[NH+]3CCSCC3)cc(C)[nH+]c12 ZINC000360883950 286547967 /nfs/dbraw/zinc/54/79/67/286547967.db2.gz PVKZNKYRTRVTGM-UHFFFAOYSA-N 2 2 317.458 3.013 20 0 DGADLP OC1CC(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000361434135 286672442 /nfs/dbraw/zinc/67/24/42/286672442.db2.gz ALZYEXUHCMGBIS-UHFFFAOYSA-N 2 2 322.880 3.055 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CCC2 ZINC000361972729 286753348 /nfs/dbraw/zinc/75/33/48/286753348.db2.gz TUMOSOAPWIXCRS-QZTJIDSGSA-N 2 2 320.502 3.100 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464059096 298432112 /nfs/dbraw/zinc/43/21/12/298432112.db2.gz MZLQTMADVQQEPN-BHIYHBOVSA-N 2 2 316.489 3.269 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCCCC[NH2+]1 ZINC000364480049 287031850 /nfs/dbraw/zinc/03/18/50/287031850.db2.gz GWJHALOKIDXROO-KRWDZBQOSA-N 2 2 311.385 3.345 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000364736300 287056497 /nfs/dbraw/zinc/05/64/97/287056497.db2.gz GTQWKDDGFLMBLL-MJGOQNOKSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000364736300 287056500 /nfs/dbraw/zinc/05/65/00/287056500.db2.gz GTQWKDDGFLMBLL-MJGOQNOKSA-N 2 2 324.472 3.348 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684104 164553588 /nfs/dbraw/zinc/55/35/88/164553588.db2.gz JEMPFLIIYUTWNZ-BXUZGUMPSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684104 164553590 /nfs/dbraw/zinc/55/35/90/164553590.db2.gz JEMPFLIIYUTWNZ-BXUZGUMPSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCSCC1 ZINC000187020959 165072422 /nfs/dbraw/zinc/07/24/22/165072422.db2.gz ZCHMHHKJGUUGPQ-OAHLLOKOSA-N 2 2 319.518 3.167 20 0 DGADLP COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000187994322 165108532 /nfs/dbraw/zinc/10/85/32/165108532.db2.gz AQDSMFHOHGJRNN-SFHVURJKSA-N 2 2 309.413 3.024 20 0 DGADLP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000187994322 165108535 /nfs/dbraw/zinc/10/85/35/165108535.db2.gz AQDSMFHOHGJRNN-SFHVURJKSA-N 2 2 309.413 3.024 20 0 DGADLP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000188813760 165138360 /nfs/dbraw/zinc/13/83/60/165138360.db2.gz CJQFMOONKUZURG-ROUUACIJSA-N 2 2 322.880 3.462 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(F)nc3)C2)CC1 ZINC000189309354 165158148 /nfs/dbraw/zinc/15/81/48/165158148.db2.gz STZSSNGAZBJQGU-QGZVFWFLSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(F)nc3)C2)CC1 ZINC000189309354 165158153 /nfs/dbraw/zinc/15/81/53/165158153.db2.gz STZSSNGAZBJQGU-QGZVFWFLSA-N 2 2 305.441 3.165 20 0 DGADLP C[C@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000191671945 165264628 /nfs/dbraw/zinc/26/46/28/165264628.db2.gz JRGCSHIHJRHLJY-IBGZPJMESA-N 2 2 313.445 3.293 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000191937893 165275573 /nfs/dbraw/zinc/27/55/73/165275573.db2.gz JXBLDEICVXCESZ-INIZCTEOSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000191937893 165275575 /nfs/dbraw/zinc/27/55/75/165275575.db2.gz JXBLDEICVXCESZ-INIZCTEOSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000192078920 165280032 /nfs/dbraw/zinc/28/00/32/165280032.db2.gz GPYUUPNHLVFQMQ-MJGOQNOKSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000192078920 165280036 /nfs/dbraw/zinc/28/00/36/165280036.db2.gz GPYUUPNHLVFQMQ-MJGOQNOKSA-N 2 2 311.429 3.182 20 0 DGADLP C[NH+]1CCN(c2ccc(NCc3cc(Cl)cs3)[nH+]c2)CC1 ZINC000192750187 165304192 /nfs/dbraw/zinc/30/41/92/165304192.db2.gz PKHHWMCKLSSLKD-UHFFFAOYSA-N 2 2 322.865 3.160 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000227974551 165388898 /nfs/dbraw/zinc/38/88/98/165388898.db2.gz ZOIZWVQKNKAGOR-JSGCOSHPSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000227974551 165388900 /nfs/dbraw/zinc/38/89/00/165388900.db2.gz ZOIZWVQKNKAGOR-JSGCOSHPSA-N 2 2 311.267 3.330 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)cc1F ZINC000230729635 165398388 /nfs/dbraw/zinc/39/83/88/165398388.db2.gz JPDOLSNYOZACBV-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)cc1F ZINC000230729635 165398393 /nfs/dbraw/zinc/39/83/93/165398393.db2.gz JPDOLSNYOZACBV-UHFFFAOYSA-N 2 2 317.246 3.362 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000365439805 287132299 /nfs/dbraw/zinc/13/22/99/287132299.db2.gz RZJLEZUKDYFAGH-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000365439805 287132303 /nfs/dbraw/zinc/13/23/03/287132303.db2.gz RZJLEZUKDYFAGH-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[nH+]1 ZINC000365505642 287139482 /nfs/dbraw/zinc/13/94/82/287139482.db2.gz PWNHGRWEAOFKEC-KRWDZBQOSA-N 2 2 320.440 3.341 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1sccc1Cl ZINC000365520352 287141345 /nfs/dbraw/zinc/14/13/45/287141345.db2.gz YPFFCVLIGVNCQD-MRVWCRGKSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1sccc1Cl ZINC000365520352 287141349 /nfs/dbraw/zinc/14/13/49/287141349.db2.gz YPFFCVLIGVNCQD-MRVWCRGKSA-N 2 2 314.882 3.085 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000365631129 287156353 /nfs/dbraw/zinc/15/63/53/287156353.db2.gz PVHVANARWUOMJX-AWEZNQCLSA-N 2 2 319.836 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000365631129 287156355 /nfs/dbraw/zinc/15/63/55/287156355.db2.gz PVHVANARWUOMJX-AWEZNQCLSA-N 2 2 319.836 3.332 20 0 DGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365677732 287161920 /nfs/dbraw/zinc/16/19/20/287161920.db2.gz ZFPRZHYQTDIXDS-KRWDZBQOSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365677732 287161922 /nfs/dbraw/zinc/16/19/22/287161922.db2.gz ZFPRZHYQTDIXDS-KRWDZBQOSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000136295624 432152992 /nfs/dbraw/zinc/15/29/92/432152992.db2.gz KXADTQZEHQPLBD-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000269051056 432151091 /nfs/dbraw/zinc/15/10/91/432151091.db2.gz IJLSEVAUJMQOKU-UNEWFSDZSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000269051056 432151095 /nfs/dbraw/zinc/15/10/95/432151095.db2.gz IJLSEVAUJMQOKU-UNEWFSDZSA-N 2 2 318.461 3.370 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000129393505 196044255 /nfs/dbraw/zinc/04/42/55/196044255.db2.gz HYZJIMOOIVFWCV-ZFWWWQNUSA-N 2 2 312.373 3.214 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000129393505 196044257 /nfs/dbraw/zinc/04/42/57/196044257.db2.gz HYZJIMOOIVFWCV-ZFWWWQNUSA-N 2 2 312.373 3.214 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000136671152 432160396 /nfs/dbraw/zinc/16/03/96/432160396.db2.gz DZIMNZSVFNYLPP-QXAKKESOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136671152 432160399 /nfs/dbraw/zinc/16/03/99/432160399.db2.gz DZIMNZSVFNYLPP-QXAKKESOSA-N 2 2 316.489 3.444 20 0 DGADLP c1sc(C2CC2)nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000136736555 432161138 /nfs/dbraw/zinc/16/11/38/432161138.db2.gz RJJZGOPMLUKPPO-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000136736555 432161144 /nfs/dbraw/zinc/16/11/44/432161144.db2.gz RJJZGOPMLUKPPO-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000136736555 432161152 /nfs/dbraw/zinc/16/11/52/432161152.db2.gz RJJZGOPMLUKPPO-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246689340 432154775 /nfs/dbraw/zinc/15/47/75/432154775.db2.gz WMVLJZCIEIWTSH-CVEARBPZSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246689340 432154779 /nfs/dbraw/zinc/15/47/79/432154779.db2.gz WMVLJZCIEIWTSH-CVEARBPZSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246712514 432157476 /nfs/dbraw/zinc/15/74/76/432157476.db2.gz CTCGQJIZOBDWIS-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246712514 432157478 /nfs/dbraw/zinc/15/74/78/432157478.db2.gz CTCGQJIZOBDWIS-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246712514 432157481 /nfs/dbraw/zinc/15/74/81/432157481.db2.gz CTCGQJIZOBDWIS-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246712514 432157484 /nfs/dbraw/zinc/15/74/84/432157484.db2.gz CTCGQJIZOBDWIS-CABCVRRESA-N 2 2 314.433 3.071 20 0 DGADLP CC(C)c1nc(NC2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000171853698 432178920 /nfs/dbraw/zinc/17/89/20/432178920.db2.gz MLFLPYJCOTZROD-UHFFFAOYSA-N 2 2 311.433 3.072 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000171859823 432179667 /nfs/dbraw/zinc/17/96/67/432179667.db2.gz POOSVCDKIYSQQY-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000171859823 432179670 /nfs/dbraw/zinc/17/96/70/432179670.db2.gz POOSVCDKIYSQQY-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)[C@H](C)C1 ZINC000246910853 432180249 /nfs/dbraw/zinc/18/02/49/432180249.db2.gz FWWNZFSGDPZALI-BPQIPLTHSA-N 2 2 319.493 3.045 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)[C@H](C)C1 ZINC000246910853 432180250 /nfs/dbraw/zinc/18/02/50/432180250.db2.gz FWWNZFSGDPZALI-BPQIPLTHSA-N 2 2 319.493 3.045 20 0 DGADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000182355828 432181855 /nfs/dbraw/zinc/18/18/55/432181855.db2.gz FTOGDUVDGCPQAR-INIZCTEOSA-N 2 2 318.436 3.206 20 0 DGADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000182355828 432181858 /nfs/dbraw/zinc/18/18/58/432181858.db2.gz FTOGDUVDGCPQAR-INIZCTEOSA-N 2 2 318.436 3.206 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137249888 432173161 /nfs/dbraw/zinc/17/31/61/432173161.db2.gz HBVCZKQDVZYLMG-KRWDZBQOSA-N 2 2 323.396 3.202 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246867679 432174301 /nfs/dbraw/zinc/17/43/01/432174301.db2.gz DGQWHRIHFPUXQS-BFYDXBDKSA-N 2 2 305.466 3.079 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246867679 432174303 /nfs/dbraw/zinc/17/43/03/432174303.db2.gz DGQWHRIHFPUXQS-BFYDXBDKSA-N 2 2 305.466 3.079 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000246959900 432185306 /nfs/dbraw/zinc/18/53/06/432185306.db2.gz IOJUVWBENTWGJM-IGKNDFSCSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000246959900 432185307 /nfs/dbraw/zinc/18/53/07/432185307.db2.gz IOJUVWBENTWGJM-IGKNDFSCSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000246959900 432185308 /nfs/dbraw/zinc/18/53/08/432185308.db2.gz IOJUVWBENTWGJM-IGKNDFSCSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000246959900 432185309 /nfs/dbraw/zinc/18/53/09/432185309.db2.gz IOJUVWBENTWGJM-IGKNDFSCSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1sccc1Br ZINC000147960915 432186096 /nfs/dbraw/zinc/18/60/96/432186096.db2.gz UHADLUATXQWSFW-CKYFFXLPSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1sccc1Br ZINC000147960915 432186098 /nfs/dbraw/zinc/18/60/98/432186098.db2.gz UHADLUATXQWSFW-CKYFFXLPSA-N 2 2 317.296 3.329 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000172013372 432190556 /nfs/dbraw/zinc/19/05/56/432190556.db2.gz DCNJRAIOYVPNSA-DOTOQJQBSA-N 2 2 300.450 3.154 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247084067 432200015 /nfs/dbraw/zinc/20/00/15/432200015.db2.gz PBBKYTDBQVREHX-WBVHZDCISA-N 2 2 305.466 3.080 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247084067 432200018 /nfs/dbraw/zinc/20/00/18/432200018.db2.gz PBBKYTDBQVREHX-WBVHZDCISA-N 2 2 305.466 3.080 20 0 DGADLP Cc1cc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000150875626 432197671 /nfs/dbraw/zinc/19/76/71/432197671.db2.gz LOHQGWYULNZZIE-AEFFLSMTSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1cc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000150875626 432197676 /nfs/dbraw/zinc/19/76/76/432197676.db2.gz LOHQGWYULNZZIE-AEFFLSMTSA-N 2 2 310.445 3.274 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1F ZINC000130586134 196093235 /nfs/dbraw/zinc/09/32/35/196093235.db2.gz YEPXHKQZLFJACW-CYBMUJFWSA-N 2 2 313.376 3.375 20 0 DGADLP C[C@@H]1CC[N@H+](CCCOCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182550242 432202904 /nfs/dbraw/zinc/20/29/04/432202904.db2.gz UPEIJXCIJGDLQF-MJGOQNOKSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182550242 432202908 /nfs/dbraw/zinc/20/29/08/432202908.db2.gz UPEIJXCIJGDLQF-MJGOQNOKSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCn1cc[nH+]c1 ZINC000130742051 196106425 /nfs/dbraw/zinc/10/64/25/196106425.db2.gz WOHMGGROODBUBS-UHFFFAOYSA-N 2 2 323.444 3.126 20 0 DGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000130742051 196106427 /nfs/dbraw/zinc/10/64/27/196106427.db2.gz WOHMGGROODBUBS-UHFFFAOYSA-N 2 2 323.444 3.126 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000131073062 196138058 /nfs/dbraw/zinc/13/80/58/196138058.db2.gz VJFLYDSXHBRPOG-RLLQIKCJSA-N 2 2 316.489 3.474 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC3CCSCC3)C2)cc1 ZINC000131157745 196144156 /nfs/dbraw/zinc/14/41/56/196144156.db2.gz HGHODMZJURDDNQ-SFHVURJKSA-N 2 2 304.503 3.384 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CCSCC3)C2)cc1 ZINC000131157745 196144158 /nfs/dbraw/zinc/14/41/58/196144158.db2.gz HGHODMZJURDDNQ-SFHVURJKSA-N 2 2 304.503 3.384 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247282581 432218946 /nfs/dbraw/zinc/21/89/46/432218946.db2.gz YRLZSHWAWOINMU-WMLDXEAASA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247282581 432218949 /nfs/dbraw/zinc/21/89/49/432218949.db2.gz YRLZSHWAWOINMU-WMLDXEAASA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247282581 432218951 /nfs/dbraw/zinc/21/89/51/432218951.db2.gz YRLZSHWAWOINMU-WMLDXEAASA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247282581 432218953 /nfs/dbraw/zinc/21/89/53/432218953.db2.gz YRLZSHWAWOINMU-WMLDXEAASA-N 2 2 316.493 3.156 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@@H+]1C1CC1 ZINC000151120141 432222409 /nfs/dbraw/zinc/22/24/09/432222409.db2.gz DKWNAAQZLSNMCC-XJKSGUPXSA-N 2 2 300.446 3.115 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@H+]1C1CC1 ZINC000151120141 432222410 /nfs/dbraw/zinc/22/24/10/432222410.db2.gz DKWNAAQZLSNMCC-XJKSGUPXSA-N 2 2 300.446 3.115 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@@H+]1C1CC1 ZINC000151120027 432222493 /nfs/dbraw/zinc/22/24/93/432222493.db2.gz DKWNAAQZLSNMCC-BBRMVZONSA-N 2 2 300.446 3.115 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@H+]1C1CC1 ZINC000151120027 432222496 /nfs/dbraw/zinc/22/24/96/432222496.db2.gz DKWNAAQZLSNMCC-BBRMVZONSA-N 2 2 300.446 3.115 20 0 DGADLP Fc1ccc(SCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131890506 196208607 /nfs/dbraw/zinc/20/86/07/196208607.db2.gz PFWLEWONGBDWLM-MRXNPFEDSA-N 2 2 318.417 3.466 20 0 DGADLP Fc1ccc(SCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131890506 196208608 /nfs/dbraw/zinc/20/86/08/196208608.db2.gz PFWLEWONGBDWLM-MRXNPFEDSA-N 2 2 318.417 3.466 20 0 DGADLP CCCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000132046523 196222573 /nfs/dbraw/zinc/22/25/73/196222573.db2.gz RUJCCLFHJZJJIU-PKOBYXMFSA-N 2 2 319.493 3.088 20 0 DGADLP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000132046523 196222575 /nfs/dbraw/zinc/22/25/75/196222575.db2.gz RUJCCLFHJZJJIU-PKOBYXMFSA-N 2 2 319.493 3.088 20 0 DGADLP COc1cccc2c(N(C)CCCn3cc[nH+]c3)cc(C)[nH+]c12 ZINC000133028423 196305965 /nfs/dbraw/zinc/30/59/65/196305965.db2.gz UJZARSGTPPXJNL-UHFFFAOYSA-N 2 2 310.401 3.275 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)c2cnn(CC)c2)[NH+](C)C)cc1 ZINC000133800260 196336507 /nfs/dbraw/zinc/33/65/07/196336507.db2.gz YMIJSFHVVZWSPL-KXBFYZLASA-N 2 2 314.477 3.419 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000134133496 196364055 /nfs/dbraw/zinc/36/40/55/196364055.db2.gz PYHZIOIRKVWJED-GDBMZVCRSA-N 2 2 318.490 3.452 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000135133391 196446385 /nfs/dbraw/zinc/44/63/85/196446385.db2.gz XOASOIBLWARVCV-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290898484 222003650 /nfs/dbraw/zinc/00/36/50/222003650.db2.gz NSHDLTAOLQWXSQ-NEPJUHHUSA-N 2 2 302.249 3.351 20 0 DGADLP Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000156391097 227125067 /nfs/dbraw/zinc/12/50/67/227125067.db2.gz ZHRIEXDDLPNXQG-KRWDZBQOSA-N 2 2 323.444 3.427 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000178799600 228347023 /nfs/dbraw/zinc/34/70/23/228347023.db2.gz DBSOFUVFIVGBPE-MRXNPFEDSA-N 2 2 310.401 3.415 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000131111448 292647902 /nfs/dbraw/zinc/64/79/02/292647902.db2.gz HHQIHIVBEUVDGJ-KLAILNCOSA-N 2 2 324.509 3.351 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000422828963 287620571 /nfs/dbraw/zinc/62/05/71/287620571.db2.gz PAJBZMNIJOOMHE-FVQBIDKESA-N 2 2 301.459 3.210 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000346314376 264007849 /nfs/dbraw/zinc/00/78/49/264007849.db2.gz GFERZHKYGOFBGN-IZIZEDOESA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000346314376 264007852 /nfs/dbraw/zinc/00/78/52/264007852.db2.gz GFERZHKYGOFBGN-IZIZEDOESA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000346314377 264008067 /nfs/dbraw/zinc/00/80/67/264008067.db2.gz GFERZHKYGOFBGN-WEOZKBJRSA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000346314377 264008070 /nfs/dbraw/zinc/00/80/70/264008070.db2.gz GFERZHKYGOFBGN-WEOZKBJRSA-N 2 2 302.462 3.197 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2cccnc2)cc1 ZINC000346446101 264033410 /nfs/dbraw/zinc/03/34/10/264033410.db2.gz RCDYXEIIVVWNKB-IBGZPJMESA-N 2 2 313.420 3.386 20 0 DGADLP COC[C@@H]([NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582100 264058891 /nfs/dbraw/zinc/05/88/91/264058891.db2.gz VXRGJDMCZVYSDH-RBUKOAKNSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@@H]([NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582100 264058894 /nfs/dbraw/zinc/05/88/94/264058894.db2.gz VXRGJDMCZVYSDH-RBUKOAKNSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000346641187 264071306 /nfs/dbraw/zinc/07/13/06/264071306.db2.gz LJZIHBUGKAYAFA-ZDUSSCGKSA-N 2 2 306.479 3.078 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000346641187 264071307 /nfs/dbraw/zinc/07/13/07/264071307.db2.gz LJZIHBUGKAYAFA-ZDUSSCGKSA-N 2 2 306.479 3.078 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697138 264081287 /nfs/dbraw/zinc/08/12/87/264081287.db2.gz AJQIFRUJWDLVJH-XGWLTEMNSA-N 2 2 308.853 3.242 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697138 264081289 /nfs/dbraw/zinc/08/12/89/264081289.db2.gz AJQIFRUJWDLVJH-XGWLTEMNSA-N 2 2 308.853 3.242 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697854 264082207 /nfs/dbraw/zinc/08/22/07/264082207.db2.gz HJXPDPSZWFDZQG-QFHJOOASSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697854 264082208 /nfs/dbraw/zinc/08/22/08/264082208.db2.gz HJXPDPSZWFDZQG-QFHJOOASSA-N 2 2 304.478 3.036 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1OC ZINC000346801736 264099868 /nfs/dbraw/zinc/09/98/68/264099868.db2.gz CFOAOHIXGKCHJA-OFQRWUPVSA-N 2 2 306.450 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1OC ZINC000346801736 264099870 /nfs/dbraw/zinc/09/98/70/264099870.db2.gz CFOAOHIXGKCHJA-OFQRWUPVSA-N 2 2 306.450 3.146 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346801450 264100307 /nfs/dbraw/zinc/10/03/07/264100307.db2.gz SHWJQOWXEDYJAB-USXIJHARSA-N 2 2 320.477 3.097 20 0 DGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346801450 264100310 /nfs/dbraw/zinc/10/03/10/264100310.db2.gz SHWJQOWXEDYJAB-USXIJHARSA-N 2 2 320.477 3.097 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000346831786 264105828 /nfs/dbraw/zinc/10/58/28/264105828.db2.gz QTKRFUCRKAIFDU-WOJBJXKFSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000346831786 264105830 /nfs/dbraw/zinc/10/58/30/264105830.db2.gz QTKRFUCRKAIFDU-WOJBJXKFSA-N 2 2 310.441 3.292 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1OCCC(C)C ZINC000346998408 264136307 /nfs/dbraw/zinc/13/63/07/264136307.db2.gz CVGKNWAVNIWWGU-MRXNPFEDSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1OCCC(C)C ZINC000346998408 264136309 /nfs/dbraw/zinc/13/63/09/264136309.db2.gz CVGKNWAVNIWWGU-MRXNPFEDSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041377 264146079 /nfs/dbraw/zinc/14/60/79/264146079.db2.gz KSXRSPYDUGOFGA-SWLSCSKDSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041377 264146080 /nfs/dbraw/zinc/14/60/80/264146080.db2.gz KSXRSPYDUGOFGA-SWLSCSKDSA-N 2 2 316.367 3.329 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000347051853 264147608 /nfs/dbraw/zinc/14/76/08/264147608.db2.gz RNLYFUPKDZHDHH-SNVBAGLBSA-N 2 2 303.233 3.173 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000347051853 264147609 /nfs/dbraw/zinc/14/76/09/264147609.db2.gz RNLYFUPKDZHDHH-SNVBAGLBSA-N 2 2 303.233 3.173 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063341 264150257 /nfs/dbraw/zinc/15/02/57/264150257.db2.gz JFJKHKUBGFQKDD-UMVBOHGHSA-N 2 2 315.383 3.080 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(F)(F)F ZINC000347063341 264150259 /nfs/dbraw/zinc/15/02/59/264150259.db2.gz JFJKHKUBGFQKDD-UMVBOHGHSA-N 2 2 315.383 3.080 20 0 DGADLP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347066951 264150998 /nfs/dbraw/zinc/15/09/98/264150998.db2.gz ATKWGHBTCFXLMN-SFHVURJKSA-N 2 2 312.413 3.231 20 0 DGADLP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347066951 264151000 /nfs/dbraw/zinc/15/10/00/264151000.db2.gz ATKWGHBTCFXLMN-SFHVURJKSA-N 2 2 312.413 3.231 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347089122 264154721 /nfs/dbraw/zinc/15/47/21/264154721.db2.gz OAROZMPAEPQIGW-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347089122 264154722 /nfs/dbraw/zinc/15/47/22/264154722.db2.gz OAROZMPAEPQIGW-INIZCTEOSA-N 2 2 318.804 3.397 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347099670 264156313 /nfs/dbraw/zinc/15/63/13/264156313.db2.gz LCTKVKFTIFKNQB-UHFFFAOYSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000347259234 264184805 /nfs/dbraw/zinc/18/48/05/264184805.db2.gz YJDASOZNIARNEJ-DYXWJJEUSA-N 2 2 321.468 3.346 20 0 DGADLP C[N@@H+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000347259234 264184807 /nfs/dbraw/zinc/18/48/07/264184807.db2.gz YJDASOZNIARNEJ-DYXWJJEUSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000347259234 264184809 /nfs/dbraw/zinc/18/48/09/264184809.db2.gz YJDASOZNIARNEJ-DYXWJJEUSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000347259234 264184812 /nfs/dbraw/zinc/18/48/12/264184812.db2.gz YJDASOZNIARNEJ-DYXWJJEUSA-N 2 2 321.468 3.346 20 0 DGADLP C[N@H+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000347259246 264184902 /nfs/dbraw/zinc/18/49/02/264184902.db2.gz YJDASOZNIARNEJ-SVFBPWRDSA-N 2 2 321.468 3.346 20 0 DGADLP C[N@@H+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000347259246 264184905 /nfs/dbraw/zinc/18/49/05/264184905.db2.gz YJDASOZNIARNEJ-SVFBPWRDSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000347259246 264184908 /nfs/dbraw/zinc/18/49/08/264184908.db2.gz YJDASOZNIARNEJ-SVFBPWRDSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000347259246 264184910 /nfs/dbraw/zinc/18/49/10/264184910.db2.gz YJDASOZNIARNEJ-SVFBPWRDSA-N 2 2 321.468 3.346 20 0 DGADLP c1ccc(COCCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347412341 264216821 /nfs/dbraw/zinc/21/68/21/264216821.db2.gz ABKROSVVNCCPLI-IBGZPJMESA-N 2 2 312.413 3.142 20 0 DGADLP c1ccc(COCCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347412341 264216825 /nfs/dbraw/zinc/21/68/25/264216825.db2.gz ABKROSVVNCCPLI-IBGZPJMESA-N 2 2 312.413 3.142 20 0 DGADLP CC(C)COC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000347609869 264250890 /nfs/dbraw/zinc/25/08/90/264250890.db2.gz DJSBSATXCRINSR-IRXDYDNUSA-N 2 2 308.466 3.457 20 0 DGADLP CC(C)COC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000347609869 264250893 /nfs/dbraw/zinc/25/08/93/264250893.db2.gz DJSBSATXCRINSR-IRXDYDNUSA-N 2 2 308.466 3.457 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1OC ZINC000347647210 264259312 /nfs/dbraw/zinc/25/93/12/264259312.db2.gz XLMNSGVKSQMCFP-HNNXBMFYSA-N 2 2 315.417 3.115 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1OC ZINC000347647210 264259315 /nfs/dbraw/zinc/25/93/15/264259315.db2.gz XLMNSGVKSQMCFP-HNNXBMFYSA-N 2 2 315.417 3.115 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347901613 264302507 /nfs/dbraw/zinc/30/25/07/264302507.db2.gz LILCVNPRVIRQMF-APWZRJJASA-N 3 2 303.494 3.423 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CSCCc2ccccc21)[NH+]1CCCC1 ZINC000347926901 264307694 /nfs/dbraw/zinc/30/76/94/264307694.db2.gz TVYJHHPMAYMEKZ-AEFFLSMTSA-N 2 2 304.503 3.481 20 0 DGADLP COC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc(Cl)c1F ZINC000348078959 264335745 /nfs/dbraw/zinc/33/57/45/264335745.db2.gz GARNXFHSQCJAFB-OAHLLOKOSA-N 2 2 316.848 3.487 20 0 DGADLP COC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(Cl)c1F ZINC000348078959 264335748 /nfs/dbraw/zinc/33/57/48/264335748.db2.gz GARNXFHSQCJAFB-OAHLLOKOSA-N 2 2 316.848 3.487 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000348184182 264360104 /nfs/dbraw/zinc/36/01/04/264360104.db2.gz GJTLWETULXAYDF-FZMZJTMJSA-N 2 2 320.234 3.311 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cncc(F)c1 ZINC000348192205 264361735 /nfs/dbraw/zinc/36/17/35/264361735.db2.gz JYCRZWFNKZAVJU-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nnc(C)s1 ZINC000348325125 264390327 /nfs/dbraw/zinc/39/03/27/264390327.db2.gz VUFPHCKRBZLDDI-SNPRPXQTSA-N 2 2 310.511 3.398 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349802628 264549969 /nfs/dbraw/zinc/54/99/69/264549969.db2.gz WFAPERCERRNKQD-UHFFFAOYSA-N 2 2 304.482 3.158 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)c1 ZINC000352344256 265009106 /nfs/dbraw/zinc/00/91/06/265009106.db2.gz DFUMAYCTKIEDIJ-WBVHZDCISA-N 2 2 311.429 3.429 20 0 DGADLP CC[C@@]1(C[NH2+]Cc2cccc3[nH+]ccn32)OCCc2ccccc21 ZINC000352454789 265055457 /nfs/dbraw/zinc/05/54/57/265055457.db2.gz VVFBYLMKYYWMIK-FQEVSTJZSA-N 2 2 321.424 3.302 20 0 DGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])o2)cc1 ZINC000352487213 265067127 /nfs/dbraw/zinc/06/71/27/265067127.db2.gz BDQQRDRWSWPIKT-OAHLLOKOSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3CC[NH3+])o2)cc1 ZINC000352487213 265067131 /nfs/dbraw/zinc/06/71/31/265067131.db2.gz BDQQRDRWSWPIKT-OAHLLOKOSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])co2)cc1 ZINC000352504699 265072368 /nfs/dbraw/zinc/07/23/68/265072368.db2.gz TYBGBQNGQBOUMX-INIZCTEOSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])co2)cc1 ZINC000352504699 265072371 /nfs/dbraw/zinc/07/23/71/265072371.db2.gz TYBGBQNGQBOUMX-INIZCTEOSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])sc2c1 ZINC000352541446 265082860 /nfs/dbraw/zinc/08/28/60/265082860.db2.gz XZFPJAHOQMMPSK-GFCCVEGCSA-N 2 2 305.447 3.008 20 0 DGADLP COc1ccc2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])sc2c1 ZINC000352541446 265082863 /nfs/dbraw/zinc/08/28/63/265082863.db2.gz XZFPJAHOQMMPSK-GFCCVEGCSA-N 2 2 305.447 3.008 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(F)c1F ZINC000352732327 265145269 /nfs/dbraw/zinc/14/52/69/265145269.db2.gz OGFUOMJBNSUMLP-JTQLQIEISA-N 2 2 311.401 3.334 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(F)c1F ZINC000352732329 265145306 /nfs/dbraw/zinc/14/53/06/265145306.db2.gz OGFUOMJBNSUMLP-SNVBAGLBSA-N 2 2 311.401 3.334 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CCSC1 ZINC000352748226 265150520 /nfs/dbraw/zinc/15/05/20/265150520.db2.gz HFQXPHXRBLHTCI-MJSXRHKHSA-N 2 2 312.429 3.005 20 0 DGADLP Cc1ccccc1OCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352748848 265150627 /nfs/dbraw/zinc/15/06/27/265150627.db2.gz KJSSMBZRDCJATP-UHFFFAOYSA-N 2 2 319.474 3.072 20 0 DGADLP CCOc1cc(C)ccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352751407 265150662 /nfs/dbraw/zinc/15/06/62/265150662.db2.gz VEMQPBNMSTVBPN-UHFFFAOYSA-N 2 2 319.474 3.202 20 0 DGADLP Fc1ccc(/C=C/C[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000352750359 265150774 /nfs/dbraw/zinc/15/07/74/265150774.db2.gz QENHMUULEGDZES-HWKANZROSA-N 2 2 303.356 3.465 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[NH+]1CCCCC1 ZINC000352755583 265153883 /nfs/dbraw/zinc/15/38/83/265153883.db2.gz MOWQFBDSBZHYAI-SAPNQHFASA-N 2 2 302.462 3.312 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3nccs3)CCCC2)s1 ZINC000352759172 265154449 /nfs/dbraw/zinc/15/44/49/265154449.db2.gz IQWKJSCYSCZBNW-UHFFFAOYSA-N 2 2 322.503 3.220 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352814539 265179585 /nfs/dbraw/zinc/17/95/85/265179585.db2.gz INEWIHYFWHKACO-PBHICJAKSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352814539 265179601 /nfs/dbraw/zinc/17/96/01/265179601.db2.gz INEWIHYFWHKACO-PBHICJAKSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352814539 265179602 /nfs/dbraw/zinc/17/96/02/265179602.db2.gz INEWIHYFWHKACO-PBHICJAKSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352814539 265179608 /nfs/dbraw/zinc/17/96/08/265179608.db2.gz INEWIHYFWHKACO-PBHICJAKSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000352924849 265231633 /nfs/dbraw/zinc/23/16/33/265231633.db2.gz MAKHBDABGCLIND-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000352924849 265231634 /nfs/dbraw/zinc/23/16/34/265231634.db2.gz MAKHBDABGCLIND-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000352927176 265233606 /nfs/dbraw/zinc/23/36/06/265233606.db2.gz ZVEHHPMSRMRWHJ-DOTOQJQBSA-N 2 2 318.461 3.001 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000352927176 265233608 /nfs/dbraw/zinc/23/36/08/265233608.db2.gz ZVEHHPMSRMRWHJ-DOTOQJQBSA-N 2 2 318.461 3.001 20 0 DGADLP Cc1cccc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000352939649 265238755 /nfs/dbraw/zinc/23/87/55/265238755.db2.gz ARIMAOOVNKBVSF-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000352939649 265238758 /nfs/dbraw/zinc/23/87/58/265238758.db2.gz ARIMAOOVNKBVSF-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000353128559 265310207 /nfs/dbraw/zinc/31/02/07/265310207.db2.gz ROXKDAFVYQMFHF-DFQSSKMNSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000353128559 265310208 /nfs/dbraw/zinc/31/02/08/265310208.db2.gz ROXKDAFVYQMFHF-DFQSSKMNSA-N 2 2 315.505 3.113 20 0 DGADLP Cc1cc2cc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)ccc2[nH]1 ZINC000353146342 265317466 /nfs/dbraw/zinc/31/74/66/265317466.db2.gz XGFSXRBALXFGHM-UHFFFAOYSA-N 2 2 314.458 3.284 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)C1 ZINC000353158061 265322704 /nfs/dbraw/zinc/32/27/04/265322704.db2.gz VLUWFRCUVSQJFT-DOTOQJQBSA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)C1 ZINC000353158061 265322708 /nfs/dbraw/zinc/32/27/08/265322708.db2.gz VLUWFRCUVSQJFT-DOTOQJQBSA-N 2 2 302.462 3.047 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc3cc[nH]c3n2)n1-c1ccccc1 ZINC000353209109 265345133 /nfs/dbraw/zinc/34/51/33/265345133.db2.gz JUTHWXQSAZWCOL-UHFFFAOYSA-N 2 2 317.396 3.347 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236738 265357085 /nfs/dbraw/zinc/35/70/85/265357085.db2.gz RJEQXYWHJTVZSR-HOCLYGCPSA-N 2 2 318.452 3.147 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236738 265357088 /nfs/dbraw/zinc/35/70/88/265357088.db2.gz RJEQXYWHJTVZSR-HOCLYGCPSA-N 2 2 318.452 3.147 20 0 DGADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCC(F)(F)CC1 ZINC000353280643 265373954 /nfs/dbraw/zinc/37/39/54/265373954.db2.gz WDFMPIQXZHJNRB-JSGCOSHPSA-N 2 2 306.466 3.227 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2OC)[C@@H](C)C1 ZINC000353319979 265387195 /nfs/dbraw/zinc/38/71/95/265387195.db2.gz HIYAYPLCFOXJEZ-ZFWWWQNUSA-N 2 2 302.418 3.261 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2oc3ccccc3c2OC)[C@@H](C)C1 ZINC000353319979 265387197 /nfs/dbraw/zinc/38/71/97/265387197.db2.gz HIYAYPLCFOXJEZ-ZFWWWQNUSA-N 2 2 302.418 3.261 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353321320 265388316 /nfs/dbraw/zinc/38/83/16/265388316.db2.gz IDCYMEJEINERMF-ZIAGYGMSSA-N 2 2 300.402 3.158 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353321320 265388319 /nfs/dbraw/zinc/38/83/19/265388319.db2.gz IDCYMEJEINERMF-ZIAGYGMSSA-N 2 2 300.402 3.158 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000353325352 265390148 /nfs/dbraw/zinc/39/01/48/265390148.db2.gz LNSGBZUXWKMGDJ-SUMWQHHRSA-N 2 2 311.429 3.219 20 0 DGADLP Cc1nc2ccccc2n1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353940099 265604633 /nfs/dbraw/zinc/60/46/33/265604633.db2.gz ALCQZKQXYIZUCO-UHFFFAOYSA-N 2 2 308.429 3.271 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000172681667 432229105 /nfs/dbraw/zinc/22/91/05/432229105.db2.gz AQXUGKYGLPKUAP-KXBFYZLASA-N 2 2 312.461 3.216 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1C(C)C ZINC000191155236 432229270 /nfs/dbraw/zinc/22/92/70/432229270.db2.gz PRVUIKVHOBHVEI-CQSZACIVSA-N 2 2 311.433 3.313 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000355338654 266043223 /nfs/dbraw/zinc/04/32/23/266043223.db2.gz YWHNFLLKMZQZTI-QRQLOZEOSA-N 2 2 316.489 3.239 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000355338654 266043226 /nfs/dbraw/zinc/04/32/26/266043226.db2.gz YWHNFLLKMZQZTI-QRQLOZEOSA-N 2 2 316.489 3.239 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000355358710 266050389 /nfs/dbraw/zinc/05/03/89/266050389.db2.gz AINIMROGIDYJOV-FUHWJXTLSA-N 2 2 319.493 3.127 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000355358710 266050392 /nfs/dbraw/zinc/05/03/92/266050392.db2.gz AINIMROGIDYJOV-FUHWJXTLSA-N 2 2 319.493 3.127 20 0 DGADLP Cc1cc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000355437882 266075269 /nfs/dbraw/zinc/07/52/69/266075269.db2.gz YNDAQDLFHKDCNA-MRXNPFEDSA-N 2 2 314.433 3.092 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000355553883 266112736 /nfs/dbraw/zinc/11/27/36/266112736.db2.gz IQIWXLPOEHRYQB-IEBWSBKVSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000355553883 266112738 /nfs/dbraw/zinc/11/27/38/266112738.db2.gz IQIWXLPOEHRYQB-IEBWSBKVSA-N 2 2 302.462 3.010 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000356276602 266340367 /nfs/dbraw/zinc/34/03/67/266340367.db2.gz IXKQOUSBIDPGES-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000356276602 266340368 /nfs/dbraw/zinc/34/03/68/266340368.db2.gz IXKQOUSBIDPGES-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247559608 432241401 /nfs/dbraw/zinc/24/14/01/432241401.db2.gz QQFXZIYLNUHJGB-ROUUACIJSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247559608 432241408 /nfs/dbraw/zinc/24/14/08/432241408.db2.gz QQFXZIYLNUHJGB-ROUUACIJSA-N 2 2 302.462 3.100 20 0 DGADLP CC[C@](C)(COc1ncccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC000182967758 432246875 /nfs/dbraw/zinc/24/68/75/432246875.db2.gz NGCHTBADTIUOOW-MRXNPFEDSA-N 2 2 322.840 3.159 20 0 DGADLP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000362506833 271036531 /nfs/dbraw/zinc/03/65/31/271036531.db2.gz SUWAZNBULRKXFT-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367618431 271053127 /nfs/dbraw/zinc/05/31/27/271053127.db2.gz SGWINCQRFQGPDO-BRWVUGGUSA-N 2 2 304.482 3.494 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000367813667 271080422 /nfs/dbraw/zinc/08/04/22/271080422.db2.gz HOCUVVRUEGCARX-JKSUJKDBSA-N 2 2 321.465 3.136 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000367813667 271080426 /nfs/dbraw/zinc/08/04/26/271080426.db2.gz HOCUVVRUEGCARX-JKSUJKDBSA-N 2 2 321.465 3.136 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000367887396 271092876 /nfs/dbraw/zinc/09/28/76/271092876.db2.gz RVHDQPVDHNQPDR-ATZDWAIDSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000367887396 271092880 /nfs/dbraw/zinc/09/28/80/271092880.db2.gz RVHDQPVDHNQPDR-ATZDWAIDSA-N 2 2 324.472 3.050 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000368134921 271142081 /nfs/dbraw/zinc/14/20/81/271142081.db2.gz NLVYDIGVQMLLIW-CYBMUJFWSA-N 2 2 307.344 3.011 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000368134921 271142084 /nfs/dbraw/zinc/14/20/84/271142084.db2.gz NLVYDIGVQMLLIW-CYBMUJFWSA-N 2 2 307.344 3.011 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000368134926 271142742 /nfs/dbraw/zinc/14/27/42/271142742.db2.gz NLVYDIGVQMLLIW-ZDUSSCGKSA-N 2 2 307.344 3.011 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000368134926 271142744 /nfs/dbraw/zinc/14/27/44/271142744.db2.gz NLVYDIGVQMLLIW-ZDUSSCGKSA-N 2 2 307.344 3.011 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nccn1C ZINC000183066062 432254766 /nfs/dbraw/zinc/25/47/66/432254766.db2.gz WEUVSQXEPQSWKO-KRWDZBQOSA-N 2 2 304.482 3.258 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542801 432255993 /nfs/dbraw/zinc/25/59/93/432255993.db2.gz XXOLYVGLGCKGPH-DYESRHJHSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270542801 432255995 /nfs/dbraw/zinc/25/59/95/432255995.db2.gz XXOLYVGLGCKGPH-DYESRHJHSA-N 2 2 324.468 3.494 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000423217978 273589594 /nfs/dbraw/zinc/58/95/94/273589594.db2.gz TVLJECBJZUDAMV-RISCZKNCSA-N 2 2 309.251 3.123 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447600512 274136487 /nfs/dbraw/zinc/13/64/87/274136487.db2.gz MMXRVLDGEYUPKC-VQIMIIECSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447600512 274136491 /nfs/dbraw/zinc/13/64/91/274136491.db2.gz MMXRVLDGEYUPKC-VQIMIIECSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423066655 274229889 /nfs/dbraw/zinc/22/98/89/274229889.db2.gz FCYOQZIXURYSDE-HUBLWGQQSA-N 2 2 316.367 3.123 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000464873815 274294084 /nfs/dbraw/zinc/29/40/84/274294084.db2.gz HYDBQCXVCJXLLF-KURKYZTESA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000464873815 274294087 /nfs/dbraw/zinc/29/40/87/274294087.db2.gz HYDBQCXVCJXLLF-KURKYZTESA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1sccc1Br ZINC000275774822 274334752 /nfs/dbraw/zinc/33/47/52/274334752.db2.gz ZEMCVEMNBBUMMO-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Br ZINC000275774822 274334742 /nfs/dbraw/zinc/33/47/42/274334742.db2.gz ZEMCVEMNBBUMMO-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Br ZINC000275774822 274334745 /nfs/dbraw/zinc/33/47/45/274334745.db2.gz ZEMCVEMNBBUMMO-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1sccc1Br ZINC000275774822 274334748 /nfs/dbraw/zinc/33/47/48/274334748.db2.gz ZEMCVEMNBBUMMO-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1F ZINC000247981435 432259954 /nfs/dbraw/zinc/25/99/54/432259954.db2.gz MRMITBNPDNEVMI-MGPQQGTHSA-N 2 2 312.404 3.115 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247978381 432260056 /nfs/dbraw/zinc/26/00/56/432260056.db2.gz IBMMNINKSGEENN-WMZOPIPTSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247978381 432260060 /nfs/dbraw/zinc/26/00/60/432260060.db2.gz IBMMNINKSGEENN-WMZOPIPTSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247978381 432260064 /nfs/dbraw/zinc/26/00/64/432260064.db2.gz IBMMNINKSGEENN-WMZOPIPTSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247978381 432260067 /nfs/dbraw/zinc/26/00/67/432260067.db2.gz IBMMNINKSGEENN-WMZOPIPTSA-N 2 2 302.462 3.390 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423415646 275069682 /nfs/dbraw/zinc/06/96/82/275069682.db2.gz DZZIBKAEKDRMPO-VQTJNVASSA-N 2 2 307.441 3.410 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(Br)c1OC ZINC000414806387 275981659 /nfs/dbraw/zinc/98/16/59/275981659.db2.gz BQTNHPUKGATGKG-LBPRGKRZSA-N 2 2 315.255 3.065 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000342739741 276174871 /nfs/dbraw/zinc/17/48/71/276174871.db2.gz QHOHVFZZJGYACC-RCCFBDPRSA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000342739741 276174872 /nfs/dbraw/zinc/17/48/72/276174872.db2.gz QHOHVFZZJGYACC-RCCFBDPRSA-N 2 2 301.478 3.490 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000249273913 277064835 /nfs/dbraw/zinc/06/48/35/277064835.db2.gz KFSJZENUYMUGTJ-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000249273913 277064836 /nfs/dbraw/zinc/06/48/36/277064836.db2.gz KFSJZENUYMUGTJ-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000423319011 277230064 /nfs/dbraw/zinc/23/00/64/277230064.db2.gz CARBXDFAXJUNMK-OAHLLOKOSA-N 2 2 318.383 3.228 20 0 DGADLP CCc1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc[nH+]1 ZINC000603385370 430547924 /nfs/dbraw/zinc/54/79/24/430547924.db2.gz FTJDZTIBSSQVFT-UHFFFAOYSA-N 2 2 316.474 3.425 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422883080 277896607 /nfs/dbraw/zinc/89/66/07/277896607.db2.gz ULSMVUXWEMGEGM-NHYWBVRUSA-N 2 2 316.367 3.334 20 0 DGADLP COc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000151156027 278050773 /nfs/dbraw/zinc/05/07/73/278050773.db2.gz JJGHBZFHYGULRR-QGZVFWFLSA-N 2 2 301.434 3.139 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000422749207 278227916 /nfs/dbraw/zinc/22/79/16/278227916.db2.gz XZXNEODYLSKSEF-HOTGVXAUSA-N 3 2 309.523 3.238 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420297122 278308957 /nfs/dbraw/zinc/30/89/57/278308957.db2.gz FNDIWZFUVSDGBN-BXKDBHETSA-N 2 2 315.280 3.265 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420297122 278308958 /nfs/dbraw/zinc/30/89/58/278308958.db2.gz FNDIWZFUVSDGBN-BXKDBHETSA-N 2 2 315.280 3.265 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)[C@H]1CCCC[NH2+]1 ZINC000423448692 288087026 /nfs/dbraw/zinc/08/70/26/288087026.db2.gz VJSVBYPLLQGFHH-BBWFWOEESA-N 2 2 317.477 3.381 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000422775292 279373250 /nfs/dbraw/zinc/37/32/50/279373250.db2.gz AYQOQMJMQRPUPE-MNEFBYGVSA-N 2 2 302.462 3.275 20 0 DGADLP C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108943023 431160803 /nfs/dbraw/zinc/16/08/03/431160803.db2.gz QAKUGBMBPXRRRJ-LBPRGKRZSA-N 2 2 313.323 3.102 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000192950513 279482092 /nfs/dbraw/zinc/48/20/92/279482092.db2.gz TZTLYURBZLYQIN-CQSZACIVSA-N 2 2 300.450 3.097 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)s1 ZINC000069720625 431215569 /nfs/dbraw/zinc/21/55/69/431215569.db2.gz KFLZUFYXQNGNBS-SNVBAGLBSA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)s1 ZINC000069720625 431215575 /nfs/dbraw/zinc/21/55/75/431215575.db2.gz KFLZUFYXQNGNBS-SNVBAGLBSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074515 431239459 /nfs/dbraw/zinc/23/94/59/431239459.db2.gz LGURBJQEYXJBSG-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074515 431239464 /nfs/dbraw/zinc/23/94/64/431239464.db2.gz LGURBJQEYXJBSG-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000070148595 431242429 /nfs/dbraw/zinc/24/24/29/431242429.db2.gz JFMNUIBAOMCYIG-GFCCVEGCSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000070148595 431242441 /nfs/dbraw/zinc/24/24/41/431242441.db2.gz JFMNUIBAOMCYIG-GFCCVEGCSA-N 2 2 315.230 3.292 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000112080782 431247473 /nfs/dbraw/zinc/24/74/73/431247473.db2.gz PSQSQOHFIYKZFI-MRXNPFEDSA-N 2 2 323.444 3.276 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@H+](C3CCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000112080782 431247479 /nfs/dbraw/zinc/24/74/79/431247479.db2.gz PSQSQOHFIYKZFI-MRXNPFEDSA-N 2 2 323.444 3.276 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1Oc1cccnc1 ZINC000112372847 431271556 /nfs/dbraw/zinc/27/15/56/431271556.db2.gz QZCKUMHQMOKYIH-QGZVFWFLSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1Oc1cccnc1 ZINC000112372847 431271561 /nfs/dbraw/zinc/27/15/61/431271561.db2.gz QZCKUMHQMOKYIH-QGZVFWFLSA-N 2 2 311.429 3.366 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071142051 431272797 /nfs/dbraw/zinc/27/27/97/431272797.db2.gz VMSFYGIDMLHUOZ-IUODEOHRSA-N 2 2 311.267 3.442 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071142051 431272801 /nfs/dbraw/zinc/27/28/01/431272801.db2.gz VMSFYGIDMLHUOZ-IUODEOHRSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000113515513 431352566 /nfs/dbraw/zinc/35/25/66/431352566.db2.gz FPIPSJGFPOXCMO-ZDUSSCGKSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000113515513 431352570 /nfs/dbraw/zinc/35/25/70/431352570.db2.gz FPIPSJGFPOXCMO-ZDUSSCGKSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000113516499 431352829 /nfs/dbraw/zinc/35/28/29/431352829.db2.gz JYFRHGHQRXXDQG-GFCCVEGCSA-N 2 2 317.260 3.256 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000113516499 431352836 /nfs/dbraw/zinc/35/28/36/431352836.db2.gz JYFRHGHQRXXDQG-GFCCVEGCSA-N 2 2 317.260 3.256 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3COc4ccccc43)CC2)cc1 ZINC000114850947 431417036 /nfs/dbraw/zinc/41/70/36/431417036.db2.gz GCHOWTCRSZVXQH-FQEVSTJZSA-N 2 2 322.452 3.417 20 0 DGADLP Cc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076110097 431526668 /nfs/dbraw/zinc/52/66/68/431526668.db2.gz IYFTWRYOPQREQG-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076110097 431526677 /nfs/dbraw/zinc/52/66/77/431526677.db2.gz IYFTWRYOPQREQG-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000076110097 431526684 /nfs/dbraw/zinc/52/66/84/431526684.db2.gz IYFTWRYOPQREQG-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000076110097 431526689 /nfs/dbraw/zinc/52/66/89/431526689.db2.gz IYFTWRYOPQREQG-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Fc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835272 431499560 /nfs/dbraw/zinc/49/95/60/431499560.db2.gz PFYBMNNMLWFNDG-INIZCTEOSA-N 2 2 306.425 3.012 20 0 DGADLP Fc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835272 431499565 /nfs/dbraw/zinc/49/95/65/431499565.db2.gz PFYBMNNMLWFNDG-INIZCTEOSA-N 2 2 306.425 3.012 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)[nH+]1 ZINC000455493895 280392709 /nfs/dbraw/zinc/39/27/09/280392709.db2.gz DFRITYSWWYVOLJ-HZPDHXFCSA-N 2 2 316.449 3.097 20 0 DGADLP CCCn1c(C[NH2+]CC(C)(C)C[NH+](C)C)nc2ccccc21 ZINC000077290577 431581471 /nfs/dbraw/zinc/58/14/71/431581471.db2.gz MHOGQRLZBQWDCD-UHFFFAOYSA-N 2 2 302.466 3.124 20 0 DGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000118766134 431615816 /nfs/dbraw/zinc/61/58/16/431615816.db2.gz HBXASSCLVITCOY-UHFFFAOYSA-N 2 2 323.400 3.221 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000119036821 431636908 /nfs/dbraw/zinc/63/69/08/431636908.db2.gz SDHHRRDWPWFWJE-SUMDDJOVSA-N 2 2 320.477 3.093 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000121411626 431782897 /nfs/dbraw/zinc/78/28/97/431782897.db2.gz JYRYVWCTQKJPIS-QGZVFWFLSA-N 2 2 324.428 3.176 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000122739962 431843855 /nfs/dbraw/zinc/84/38/55/431843855.db2.gz GOXSAVAESOGGHO-FZMZJTMJSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000122739962 431843858 /nfs/dbraw/zinc/84/38/58/431843858.db2.gz GOXSAVAESOGGHO-FZMZJTMJSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000037859802 431851823 /nfs/dbraw/zinc/85/18/23/431851823.db2.gz HJUNWAXMXUPVCD-YPMHNXCESA-N 2 2 317.260 3.101 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000038038916 431854397 /nfs/dbraw/zinc/85/43/97/431854397.db2.gz BCBTUBWHHWLBJB-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1cccs1 ZINC000425377444 280784282 /nfs/dbraw/zinc/78/42/82/280784282.db2.gz HBPSJWYSQLFMKB-UHFFFAOYSA-N 2 2 306.479 3.089 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1OCCCO2 ZINC000093659891 431917942 /nfs/dbraw/zinc/91/79/42/431917942.db2.gz ZBCCRXTWKRLEFA-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1OCCCO2 ZINC000093659891 431917943 /nfs/dbraw/zinc/91/79/43/431917943.db2.gz ZBCCRXTWKRLEFA-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2c1OCCCO2 ZINC000093659891 431917945 /nfs/dbraw/zinc/91/79/45/431917945.db2.gz ZBCCRXTWKRLEFA-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2c1OCCCO2 ZINC000093659891 431917947 /nfs/dbraw/zinc/91/79/47/431917947.db2.gz ZBCCRXTWKRLEFA-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000044534414 431875197 /nfs/dbraw/zinc/87/51/97/431875197.db2.gz ZNIAHBVCPQTWKL-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000044534414 431875198 /nfs/dbraw/zinc/87/51/98/431875198.db2.gz ZNIAHBVCPQTWKL-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684108 431877045 /nfs/dbraw/zinc/87/70/45/431877045.db2.gz JEMPFLIIYUTWNZ-RISCZKNCSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000044684108 431877048 /nfs/dbraw/zinc/87/70/48/431877048.db2.gz JEMPFLIIYUTWNZ-RISCZKNCSA-N 2 2 309.251 3.336 20 0 DGADLP COCc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003787 431888669 /nfs/dbraw/zinc/88/86/69/431888669.db2.gz QTXBWSRVDIPJBD-QGZVFWFLSA-N 2 2 313.445 3.021 20 0 DGADLP COCc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003787 431888672 /nfs/dbraw/zinc/88/86/72/431888672.db2.gz QTXBWSRVDIPJBD-QGZVFWFLSA-N 2 2 313.445 3.021 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124348863 431891216 /nfs/dbraw/zinc/89/12/16/431891216.db2.gz ADRNBGPZMZMNSM-HOTGVXAUSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124348863 431891219 /nfs/dbraw/zinc/89/12/19/431891219.db2.gz ADRNBGPZMZMNSM-HOTGVXAUSA-N 3 2 310.445 3.007 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000090913977 431897361 /nfs/dbraw/zinc/89/73/61/431897361.db2.gz CPPROEPUAJHJNU-YYWHXJBOSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000090913977 431897362 /nfs/dbraw/zinc/89/73/62/431897362.db2.gz CPPROEPUAJHJNU-YYWHXJBOSA-N 2 2 324.468 3.281 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccco1 ZINC000124693326 431901455 /nfs/dbraw/zinc/90/14/55/431901455.db2.gz FEHRMUCGIHSQOQ-KRWDZBQOSA-N 2 2 313.445 3.143 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1Cl ZINC000098143741 431979484 /nfs/dbraw/zinc/97/94/84/431979484.db2.gz QJPZIRHBUOODGZ-CABCVRRESA-N 2 2 310.869 3.083 20 0 DGADLP CN(C)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000125614436 431930909 /nfs/dbraw/zinc/93/09/09/431930909.db2.gz FWPWNVSSKGMXSL-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CN(C)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000125614436 431930911 /nfs/dbraw/zinc/93/09/11/431930911.db2.gz FWPWNVSSKGMXSL-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CC(C)C[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125780946 431935193 /nfs/dbraw/zinc/93/51/93/431935193.db2.gz ZAIOHYFFPQLBFF-IAGOWNOFSA-N 2 2 300.450 3.065 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000246277545 280976325 /nfs/dbraw/zinc/97/63/25/280976325.db2.gz BESDKKJLSKQPSG-USXIJHARSA-N 2 2 306.450 3.007 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)[nH+]c1 ZINC000127201657 431967055 /nfs/dbraw/zinc/96/70/55/431967055.db2.gz XSKHPHXOMBYBKE-KRWDZBQOSA-N 2 2 315.461 3.132 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)CC3 ZINC000427882677 281037131 /nfs/dbraw/zinc/03/71/31/281037131.db2.gz OPFNZUPEFFLOKQ-CABCVRRESA-N 2 2 320.440 3.135 20 0 DGADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000127838229 431982558 /nfs/dbraw/zinc/98/25/58/431982558.db2.gz BGZBGQDUMGOQAB-UHFFFAOYSA-N 2 2 308.223 3.134 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000127900484 431983842 /nfs/dbraw/zinc/98/38/42/431983842.db2.gz NIBHWCASXMHXCU-ZDUSSCGKSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000127900484 431983844 /nfs/dbraw/zinc/98/38/44/431983844.db2.gz NIBHWCASXMHXCU-ZDUSSCGKSA-N 2 2 309.251 3.084 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000248175996 432274176 /nfs/dbraw/zinc/27/41/76/432274176.db2.gz VOHSATNYOCYSKA-KZNAEPCWSA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000248175996 432274179 /nfs/dbraw/zinc/27/41/79/432274179.db2.gz VOHSATNYOCYSKA-KZNAEPCWSA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000248175996 432274181 /nfs/dbraw/zinc/27/41/81/432274181.db2.gz VOHSATNYOCYSKA-KZNAEPCWSA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000248175996 432274186 /nfs/dbraw/zinc/27/41/86/432274186.db2.gz VOHSATNYOCYSKA-KZNAEPCWSA-N 3 2 309.542 3.207 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000173432792 432279118 /nfs/dbraw/zinc/27/91/18/432279118.db2.gz OGCXOGCISRURQY-GJZGRUSLSA-N 2 2 308.491 3.027 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000173432832 432279503 /nfs/dbraw/zinc/27/95/03/432279503.db2.gz OGCXOGCISRURQY-HUUCEWRRSA-N 2 2 308.491 3.027 20 0 DGADLP COc1ccc2[nH]cc(C3=CC[N@H+](CCn4cc[nH+]c4)CC3)c2c1 ZINC000270820542 432293270 /nfs/dbraw/zinc/29/32/70/432293270.db2.gz BBNUWPRJMFFBBD-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP COc1ccc2[nH]cc(C3=CC[N@@H+](CCn4cc[nH+]c4)CC3)c2c1 ZINC000270820542 432293272 /nfs/dbraw/zinc/29/32/72/432293272.db2.gz BBNUWPRJMFFBBD-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1 ZINC000248049289 432263568 /nfs/dbraw/zinc/26/35/68/432263568.db2.gz VXBQQJVQRCPGCM-RDJZCZTQSA-N 3 2 314.477 3.055 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1 ZINC000248049289 432263573 /nfs/dbraw/zinc/26/35/73/432263573.db2.gz VXBQQJVQRCPGCM-RDJZCZTQSA-N 3 2 314.477 3.055 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C2)[nH]1 ZINC000271118024 432333469 /nfs/dbraw/zinc/33/34/69/432333469.db2.gz IMMPGZQHSQZWII-TZMCWYRMSA-N 2 2 318.446 3.097 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)[nH]1 ZINC000271118024 432333473 /nfs/dbraw/zinc/33/34/73/432333473.db2.gz IMMPGZQHSQZWII-TZMCWYRMSA-N 2 2 318.446 3.097 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000271147478 432337665 /nfs/dbraw/zinc/33/76/65/432337665.db2.gz BICGQPNDXYUUIJ-LJQANCHMSA-N 2 2 324.472 3.241 20 0 DGADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271179059 432344862 /nfs/dbraw/zinc/34/48/62/432344862.db2.gz IWAOSYAHHHIZCI-QGZVFWFLSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271179059 432344867 /nfs/dbraw/zinc/34/48/67/432344867.db2.gz IWAOSYAHHHIZCI-QGZVFWFLSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271183709 432345033 /nfs/dbraw/zinc/34/50/33/432345033.db2.gz IOYRVLGTVMMDEV-UHFFFAOYSA-N 2 2 321.428 3.488 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cscn1 ZINC000271190984 432349269 /nfs/dbraw/zinc/34/92/69/432349269.db2.gz XNYJFBRZBAMQFB-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cscn1 ZINC000271190984 432349272 /nfs/dbraw/zinc/34/92/72/432349272.db2.gz XNYJFBRZBAMQFB-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000174511160 432353215 /nfs/dbraw/zinc/35/32/15/432353215.db2.gz DRPRFSAURSWDAA-ZWKOTPCHSA-N 2 2 311.429 3.310 20 0 DGADLP c1c(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)[nH+]c2n1CCCC2 ZINC000152739243 432353628 /nfs/dbraw/zinc/35/36/28/432353628.db2.gz GZZAUQAXCDBMCU-IBGZPJMESA-N 2 2 309.457 3.373 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCCOc3ccccc32)[nH+]c2n1CCCC2 ZINC000152792923 432355829 /nfs/dbraw/zinc/35/58/29/432355829.db2.gz JQZPNWKBXVLLQM-QGZVFWFLSA-N 2 2 311.429 3.265 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832729 432305837 /nfs/dbraw/zinc/30/58/37/432305837.db2.gz VIUGWOGMBFJGIX-APWZRJJASA-N 2 2 314.429 3.221 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838456 432308148 /nfs/dbraw/zinc/30/81/48/432308148.db2.gz AGQMIHKSXWYHBM-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838456 432308152 /nfs/dbraw/zinc/30/81/52/432308152.db2.gz AGQMIHKSXWYHBM-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC3(CCOCC3)CC1)CCC2 ZINC000344539512 281546584 /nfs/dbraw/zinc/54/65/84/281546584.db2.gz MQODJGXNGNEWQN-MRXNPFEDSA-N 2 2 317.477 3.398 20 0 DGADLP CC[C@@H]1C[NH+](CCC[N@@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000173931844 432308924 /nfs/dbraw/zinc/30/89/24/432308924.db2.gz SLPKSNFILBDCCV-GASCZTMLSA-N 2 2 302.553 3.031 20 0 DGADLP CC[C@@H]1C[NH+](CCC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000173931844 432308927 /nfs/dbraw/zinc/30/89/27/432308927.db2.gz SLPKSNFILBDCCV-GASCZTMLSA-N 2 2 302.553 3.031 20 0 DGADLP CC[C@@H]1C[N@H+](CCC[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000173931844 432308931 /nfs/dbraw/zinc/30/89/31/432308931.db2.gz SLPKSNFILBDCCV-GASCZTMLSA-N 2 2 302.553 3.031 20 0 DGADLP CC[C@@H]1C[N@@H+](CCC[NH+]2CCS[C@@H](CC)C2)CCS1 ZINC000173931844 432308935 /nfs/dbraw/zinc/30/89/35/432308935.db2.gz SLPKSNFILBDCCV-GASCZTMLSA-N 2 2 302.553 3.031 20 0 DGADLP COc1ccc(OC)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000173948871 432310776 /nfs/dbraw/zinc/31/07/76/432310776.db2.gz JLJMQXPMVXZDAG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(OC)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000173948871 432310777 /nfs/dbraw/zinc/31/07/77/432310777.db2.gz JLJMQXPMVXZDAG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(OC)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000173948871 432310778 /nfs/dbraw/zinc/31/07/78/432310778.db2.gz JLJMQXPMVXZDAG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(OC)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000173948871 432310780 /nfs/dbraw/zinc/31/07/80/432310780.db2.gz JLJMQXPMVXZDAG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951104 432310824 /nfs/dbraw/zinc/31/08/24/432310824.db2.gz ICQFQFXBTDMEQL-MRXNPFEDSA-N 2 2 320.868 3.294 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951104 432310827 /nfs/dbraw/zinc/31/08/27/432310827.db2.gz ICQFQFXBTDMEQL-MRXNPFEDSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951104 432310828 /nfs/dbraw/zinc/31/08/28/432310828.db2.gz ICQFQFXBTDMEQL-MRXNPFEDSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cn2cc(Cl)ccc2n1 ZINC000173951104 432310832 /nfs/dbraw/zinc/31/08/32/432310832.db2.gz ICQFQFXBTDMEQL-MRXNPFEDSA-N 2 2 320.868 3.294 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)CCC2 ZINC000341407398 281552148 /nfs/dbraw/zinc/55/21/48/281552148.db2.gz QRMTVQKKBNPKDV-XLAORIBOSA-N 2 2 317.477 3.254 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]CCCNc1cccc[nH+]1)C2 ZINC000192444328 432374825 /nfs/dbraw/zinc/37/48/25/432374825.db2.gz GGVBVAIXIXUKOH-INIZCTEOSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472377 432402622 /nfs/dbraw/zinc/40/26/22/432402622.db2.gz HPRUMVLBQWEHAN-GHTZIAJQSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472377 432402625 /nfs/dbraw/zinc/40/26/25/432402625.db2.gz HPRUMVLBQWEHAN-GHTZIAJQSA-N 3 2 323.484 3.433 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)[nH]1 ZINC000271216048 432356734 /nfs/dbraw/zinc/35/67/34/432356734.db2.gz XNWOHFDYPBWZAU-AWEZNQCLSA-N 2 2 318.446 3.097 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271217266 432357014 /nfs/dbraw/zinc/35/70/14/432357014.db2.gz XZBSXMCUFWDFEH-UHFFFAOYSA-N 2 2 315.465 3.358 20 0 DGADLP Oc1cc(F)cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000184143121 432359369 /nfs/dbraw/zinc/35/93/69/432359369.db2.gz PHLYXWJQPODXRG-SFHVURJKSA-N 2 2 314.404 3.286 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 ZINC000152893558 432365070 /nfs/dbraw/zinc/36/50/70/432365070.db2.gz JHVKNSOHGKIHIN-KSSFIOAISA-N 2 2 322.880 3.462 20 0 DGADLP Brc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250152776 432365318 /nfs/dbraw/zinc/36/53/18/432365318.db2.gz BCLPKZKYASXVOQ-MNOVXSKESA-N 2 2 315.280 3.227 20 0 DGADLP Brc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250152776 432365323 /nfs/dbraw/zinc/36/53/23/432365323.db2.gz BCLPKZKYASXVOQ-MNOVXSKESA-N 2 2 315.280 3.227 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000261686137 432441235 /nfs/dbraw/zinc/44/12/35/432441235.db2.gz AQSQPGBBKUXPLC-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000261686137 432441238 /nfs/dbraw/zinc/44/12/38/432441238.db2.gz AQSQPGBBKUXPLC-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799320 432444667 /nfs/dbraw/zinc/44/46/67/432444667.db2.gz NNKPBQRJVZAYMD-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799320 432444670 /nfs/dbraw/zinc/44/46/70/432444670.db2.gz NNKPBQRJVZAYMD-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799320 432444675 /nfs/dbraw/zinc/44/46/75/432444675.db2.gz NNKPBQRJVZAYMD-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799320 432444677 /nfs/dbraw/zinc/44/46/77/432444677.db2.gz NNKPBQRJVZAYMD-PKOBYXMFSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000153841942 432449377 /nfs/dbraw/zinc/44/93/77/432449377.db2.gz OFBLQDOUJKSZSX-IBGZPJMESA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000153841942 432449381 /nfs/dbraw/zinc/44/93/81/432449381.db2.gz OFBLQDOUJKSZSX-IBGZPJMESA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC000261844177 432454836 /nfs/dbraw/zinc/45/48/36/432454836.db2.gz SEPIIKUMQHFCAD-QGZVFWFLSA-N 2 2 322.412 3.155 20 0 DGADLP CCC[N@H+](Cc1nc2ccc(F)cc2s1)C1CC[NH2+]CC1 ZINC000261827387 432454871 /nfs/dbraw/zinc/45/48/71/432454871.db2.gz ITYLPAVCHKXCCZ-UHFFFAOYSA-N 2 2 307.438 3.399 20 0 DGADLP CCC[N@@H+](Cc1nc2ccc(F)cc2s1)C1CC[NH2+]CC1 ZINC000261827387 432454874 /nfs/dbraw/zinc/45/48/74/432454874.db2.gz ITYLPAVCHKXCCZ-UHFFFAOYSA-N 2 2 307.438 3.399 20 0 DGADLP [NH3+]C1(c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)CCCC1 ZINC000261859040 432455847 /nfs/dbraw/zinc/45/58/47/432455847.db2.gz UELIUQFHLXLLFF-HNNXBMFYSA-N 2 2 312.417 3.135 20 0 DGADLP [NH3+]C1(c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)CCCC1 ZINC000261859040 432455852 /nfs/dbraw/zinc/45/58/52/432455852.db2.gz UELIUQFHLXLLFF-HNNXBMFYSA-N 2 2 312.417 3.135 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@@H](C)C1 ZINC000271508345 432409846 /nfs/dbraw/zinc/40/98/46/432409846.db2.gz OGZQCXFBVBLNEC-SMDDNHRTSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@@H](C)C1 ZINC000271508345 432409849 /nfs/dbraw/zinc/40/98/49/432409849.db2.gz OGZQCXFBVBLNEC-SMDDNHRTSA-N 2 2 316.367 3.247 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccnn1C ZINC000192872706 432424679 /nfs/dbraw/zinc/42/46/79/432424679.db2.gz YGYWXRPROCQAOF-HZPDHXFCSA-N 2 2 312.461 3.296 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccco1 ZINC000272254847 432472124 /nfs/dbraw/zinc/47/21/24/432472124.db2.gz KYVMEVPLEBWSRB-AWEZNQCLSA-N 2 2 314.433 3.378 20 0 DGADLP Fc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262086872 432472691 /nfs/dbraw/zinc/47/26/91/432472691.db2.gz GFKZREJARVLJNQ-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262086872 432472695 /nfs/dbraw/zinc/47/26/95/432472695.db2.gz GFKZREJARVLJNQ-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262097782 432473918 /nfs/dbraw/zinc/47/39/18/432473918.db2.gz IOOXTSDVCCZPIT-YUTCNCBUSA-N 2 2 314.351 3.473 20 0 DGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262097782 432473922 /nfs/dbraw/zinc/47/39/22/432473922.db2.gz IOOXTSDVCCZPIT-YUTCNCBUSA-N 2 2 314.351 3.473 20 0 DGADLP CCN(CC)c1ccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000262117770 432475597 /nfs/dbraw/zinc/47/55/97/432475597.db2.gz KKMLXBPYSKCPKU-BRWVUGGUSA-N 2 2 302.466 3.260 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000262416770 432485073 /nfs/dbraw/zinc/48/50/73/432485073.db2.gz DQSVZYJTLKHDNU-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000262416770 432485081 /nfs/dbraw/zinc/48/50/81/432485081.db2.gz DQSVZYJTLKHDNU-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000262419632 432486754 /nfs/dbraw/zinc/48/67/54/432486754.db2.gz DWIYKEBXSLQRDG-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000262419632 432486757 /nfs/dbraw/zinc/48/67/57/432486757.db2.gz DWIYKEBXSLQRDG-TZMCWYRMSA-N 2 2 319.836 3.412 20 0 DGADLP Clc1cccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)co2)c1 ZINC000262488058 432488309 /nfs/dbraw/zinc/48/83/09/432488309.db2.gz KQWSUXFPZDORND-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1cccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)co2)c1 ZINC000262488058 432488311 /nfs/dbraw/zinc/48/83/11/432488311.db2.gz KQWSUXFPZDORND-KRWDZBQOSA-N 2 2 317.820 3.180 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272409576 432497415 /nfs/dbraw/zinc/49/74/15/432497415.db2.gz FNFQRYNHALVZOI-DOTOQJQBSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272409576 432497420 /nfs/dbraw/zinc/49/74/20/432497420.db2.gz FNFQRYNHALVZOI-DOTOQJQBSA-N 2 2 315.486 3.452 20 0 DGADLP CC(C)(C)OC1CC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000272425790 432498727 /nfs/dbraw/zinc/49/87/27/432498727.db2.gz MQCWRCLBHAGLIY-UHFFFAOYSA-N 2 2 301.434 3.431 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193874904 432506241 /nfs/dbraw/zinc/50/62/41/432506241.db2.gz ZPTDLERTBMNBIJ-QGZVFWFLSA-N 2 2 324.428 3.034 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193874904 432506243 /nfs/dbraw/zinc/50/62/43/432506243.db2.gz ZPTDLERTBMNBIJ-QGZVFWFLSA-N 2 2 324.428 3.034 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551546 432506460 /nfs/dbraw/zinc/50/64/60/432506460.db2.gz SMCVZWJRXFVTKB-CXAGYDPISA-N 2 2 316.424 3.065 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551546 432506462 /nfs/dbraw/zinc/50/64/62/432506462.db2.gz SMCVZWJRXFVTKB-CXAGYDPISA-N 2 2 316.424 3.065 20 0 DGADLP Fc1ccccc1C1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000272207268 432462183 /nfs/dbraw/zinc/46/21/83/432462183.db2.gz UPVAWOPFOZYUDA-UHFFFAOYSA-N 2 2 311.404 3.468 20 0 DGADLP CC[N@H+](CCCCCCO)CC1CCN(c2cccc[nH+]2)CC1 ZINC000175776836 432462911 /nfs/dbraw/zinc/46/29/11/432462911.db2.gz INTCQCFYGZOYAP-UHFFFAOYSA-N 2 2 319.493 3.173 20 0 DGADLP CC[N@@H+](CCCCCCO)CC1CCN(c2cccc[nH+]2)CC1 ZINC000175776836 432462913 /nfs/dbraw/zinc/46/29/13/432462913.db2.gz INTCQCFYGZOYAP-UHFFFAOYSA-N 2 2 319.493 3.173 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018445 432464825 /nfs/dbraw/zinc/46/48/25/432464825.db2.gz KIOZIFARNIGLSH-UAGQMJEPSA-N 2 2 309.523 3.061 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018445 432464830 /nfs/dbraw/zinc/46/48/30/432464830.db2.gz KIOZIFARNIGLSH-UAGQMJEPSA-N 2 2 309.523 3.061 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCSCc2ccccc2)C[C@H]1c1ccccc1 ZINC000261962735 432466136 /nfs/dbraw/zinc/46/61/36/432466136.db2.gz PLWWWVLZHPFJDZ-RBUKOAKNSA-N 2 2 312.482 3.347 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCSCc2ccccc2)C[C@H]1c1ccccc1 ZINC000261962735 432466137 /nfs/dbraw/zinc/46/61/37/432466137.db2.gz PLWWWVLZHPFJDZ-RBUKOAKNSA-N 2 2 312.482 3.347 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000262037868 432469203 /nfs/dbraw/zinc/46/92/03/432469203.db2.gz ZZAMUEYORWQVJH-MRXNPFEDSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000262037868 432469207 /nfs/dbraw/zinc/46/92/07/432469207.db2.gz ZZAMUEYORWQVJH-MRXNPFEDSA-N 2 2 303.381 3.184 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000176748215 432549608 /nfs/dbraw/zinc/54/96/08/432549608.db2.gz FWGJJFQEQUNKRJ-YJBOKZPZSA-N 2 2 320.477 3.382 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccncc1 ZINC000176815098 432555312 /nfs/dbraw/zinc/55/53/12/432555312.db2.gz OIAHBALMAPFOKR-QGZVFWFLSA-N 2 2 317.477 3.015 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000185629253 432519152 /nfs/dbraw/zinc/51/91/52/432519152.db2.gz BDMMUZPFAYBARZ-LIRRHRJNSA-N 2 2 314.404 3.141 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000185629253 432519154 /nfs/dbraw/zinc/51/91/54/432519154.db2.gz BDMMUZPFAYBARZ-LIRRHRJNSA-N 2 2 314.404 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000185748310 432530781 /nfs/dbraw/zinc/53/07/81/432530781.db2.gz OHKRMQCFBKJXJF-CZUORRHYSA-N 2 2 315.436 3.075 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000185748310 432530783 /nfs/dbraw/zinc/53/07/83/432530783.db2.gz OHKRMQCFBKJXJF-CZUORRHYSA-N 2 2 315.436 3.075 20 0 DGADLP c1[nH]c(C[NH2+]CCCNc2cccc[nH+]2)nc1-c1ccccc1 ZINC000194356663 432544666 /nfs/dbraw/zinc/54/46/66/432544666.db2.gz GHKRYIXYPPSHEK-UHFFFAOYSA-N 2 2 307.401 3.064 20 0 DGADLP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000194356028 432545103 /nfs/dbraw/zinc/54/51/03/432545103.db2.gz VCAARDSZXSTZBZ-QFBILLFUSA-N 2 2 310.445 3.126 20 0 DGADLP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000194356028 432545105 /nfs/dbraw/zinc/54/51/05/432545105.db2.gz VCAARDSZXSTZBZ-QFBILLFUSA-N 2 2 310.445 3.126 20 0 DGADLP CCS[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177283618 432607386 /nfs/dbraw/zinc/60/73/86/432607386.db2.gz YOTNQDUEOWETEP-INIZCTEOSA-N 2 2 316.474 3.375 20 0 DGADLP CCS[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177283618 432607388 /nfs/dbraw/zinc/60/73/88/432607388.db2.gz YOTNQDUEOWETEP-INIZCTEOSA-N 2 2 316.474 3.375 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000186573377 432608961 /nfs/dbraw/zinc/60/89/61/432608961.db2.gz PJZFKTSDGGFTAF-LPHOPBHVSA-N 2 2 314.477 3.227 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000186573377 432608963 /nfs/dbraw/zinc/60/89/63/432608963.db2.gz PJZFKTSDGGFTAF-LPHOPBHVSA-N 2 2 314.477 3.227 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000155718673 432569468 /nfs/dbraw/zinc/56/94/68/432569468.db2.gz FTZSGJDFOZCHGC-SMDDNHRTSA-N 2 2 320.234 3.484 20 0 DGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1Br ZINC000155760586 432573276 /nfs/dbraw/zinc/57/32/76/432573276.db2.gz SQAFGENAVBKJOK-CQSZACIVSA-N 2 2 308.223 3.387 20 0 DGADLP c1nc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)oc1-c1ccccc1 ZINC000156345227 432595422 /nfs/dbraw/zinc/59/54/22/432595422.db2.gz UBXMFBRBOHLMMK-KRWDZBQOSA-N 2 2 321.380 3.390 20 0 DGADLP c1nc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)oc1-c1ccccc1 ZINC000156345227 432595426 /nfs/dbraw/zinc/59/54/26/432595426.db2.gz UBXMFBRBOHLMMK-KRWDZBQOSA-N 2 2 321.380 3.390 20 0 DGADLP C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156536464 432600302 /nfs/dbraw/zinc/60/03/02/432600302.db2.gz DIIFSDXKADHBON-PBHICJAKSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156536464 432600306 /nfs/dbraw/zinc/60/03/06/432600306.db2.gz DIIFSDXKADHBON-PBHICJAKSA-N 2 2 319.836 3.498 20 0 DGADLP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000186502542 432602981 /nfs/dbraw/zinc/60/29/81/432602981.db2.gz ZSSAVZXMQFDSIW-RCAFFNEUSA-N 2 2 322.880 3.221 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259632 432603609 /nfs/dbraw/zinc/60/36/09/432603609.db2.gz KBKLNYXFTPAKKD-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259632 432603613 /nfs/dbraw/zinc/60/36/13/432603613.db2.gz KBKLNYXFTPAKKD-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP COc1cc[nH+]c(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000274222706 432639216 /nfs/dbraw/zinc/63/92/16/432639216.db2.gz ZGQCYZQOSVZQFP-CQSZACIVSA-N 2 2 317.458 3.031 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000274249282 432642767 /nfs/dbraw/zinc/64/27/67/432642767.db2.gz YKNFAQJFLIRZBN-MRXNPFEDSA-N 2 2 318.461 3.063 20 0 DGADLP c1ccc(CCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187024767 432643604 /nfs/dbraw/zinc/64/36/04/432643604.db2.gz JESJBIPJNRWTNV-FQEVSTJZSA-N 2 2 316.489 3.054 20 0 DGADLP c1ccc(CCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187024767 432643609 /nfs/dbraw/zinc/64/36/09/432643609.db2.gz JESJBIPJNRWTNV-FQEVSTJZSA-N 2 2 316.489 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000274326899 432651814 /nfs/dbraw/zinc/65/18/14/432651814.db2.gz DZIMNZSVFNYLPP-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000274326899 432651817 /nfs/dbraw/zinc/65/18/17/432651817.db2.gz DZIMNZSVFNYLPP-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1cccc(Cl)c1 ZINC000187297947 432655281 /nfs/dbraw/zinc/65/52/81/432655281.db2.gz OWQVCSRIZPTCOJ-OAHLLOKOSA-N 2 2 324.896 3.222 20 0 DGADLP C[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1cccc(Cl)c1 ZINC000187297947 432655287 /nfs/dbraw/zinc/65/52/87/432655287.db2.gz OWQVCSRIZPTCOJ-OAHLLOKOSA-N 2 2 324.896 3.222 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000274422701 432666342 /nfs/dbraw/zinc/66/63/42/432666342.db2.gz QQIYGIVTTPLQKL-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000274422701 432666345 /nfs/dbraw/zinc/66/63/45/432666345.db2.gz QQIYGIVTTPLQKL-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP CCn1nc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c2ccccc21 ZINC000274439198 432667404 /nfs/dbraw/zinc/66/74/04/432667404.db2.gz OKSSSACTFWURDG-UHFFFAOYSA-N 2 2 314.477 3.266 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000178145213 432698681 /nfs/dbraw/zinc/69/86/81/432698681.db2.gz DCXXZZCIIBTAAC-PXNSSMCTSA-N 2 2 309.457 3.124 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000178145213 432698685 /nfs/dbraw/zinc/69/86/85/432698685.db2.gz DCXXZZCIIBTAAC-PXNSSMCTSA-N 2 2 309.457 3.124 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)C[N@@H+]1C1CC1 ZINC000188125699 432705703 /nfs/dbraw/zinc/70/57/03/432705703.db2.gz GSFAEDRCAJMAJF-IAGOWNOFSA-N 2 2 302.462 3.451 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)C[N@H+]1C1CC1 ZINC000188125699 432705705 /nfs/dbraw/zinc/70/57/05/432705705.db2.gz GSFAEDRCAJMAJF-IAGOWNOFSA-N 2 2 302.462 3.451 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000178253910 432711468 /nfs/dbraw/zinc/71/14/68/432711468.db2.gz TZXJLWUGNIFOPB-ZDUSSCGKSA-N 2 2 306.425 3.359 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000159305893 432678540 /nfs/dbraw/zinc/67/85/40/432678540.db2.gz ZOIZWVQKNKAGOR-TZMCWYRMSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)c1 ZINC000159305893 432678542 /nfs/dbraw/zinc/67/85/42/432678542.db2.gz ZOIZWVQKNKAGOR-TZMCWYRMSA-N 2 2 311.267 3.330 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC000274530451 432679050 /nfs/dbraw/zinc/67/90/50/432679050.db2.gz AEIKOGCVFLJEHA-IRXDYDNUSA-N 2 2 316.445 3.048 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC000274530451 432679054 /nfs/dbraw/zinc/67/90/54/432679054.db2.gz AEIKOGCVFLJEHA-IRXDYDNUSA-N 2 2 316.445 3.048 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC000274530443 432679593 /nfs/dbraw/zinc/67/95/93/432679593.db2.gz AEIKOGCVFLJEHA-IAGOWNOFSA-N 2 2 316.445 3.048 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC000274530443 432679595 /nfs/dbraw/zinc/67/95/95/432679595.db2.gz AEIKOGCVFLJEHA-IAGOWNOFSA-N 2 2 316.445 3.048 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319843 432680317 /nfs/dbraw/zinc/68/03/17/432680317.db2.gz JQFDBUFAWSZZIQ-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319843 432680319 /nfs/dbraw/zinc/68/03/19/432680319.db2.gz JQFDBUFAWSZZIQ-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000274628179 432689831 /nfs/dbraw/zinc/68/98/31/432689831.db2.gz QVEOELDXTYONNR-VIFPVBQESA-N 2 2 304.341 3.099 20 0 DGADLP c1ccc(N2CCC(Nc3ccc(N4CCCC4)[nH+]c3)CC2)[nH+]c1 ZINC000236678945 432756638 /nfs/dbraw/zinc/75/66/38/432756638.db2.gz NKSQRTWQZXNKNV-UHFFFAOYSA-N 2 2 323.444 3.158 20 0 DGADLP Cc1[nH+]cc(CN(C)CC2([NH+](C)C)CCC2)n1-c1ccccc1 ZINC000189008674 432758749 /nfs/dbraw/zinc/75/87/49/432758749.db2.gz AQIXWNKFLXFWII-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](CC)[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000479853488 288563041 /nfs/dbraw/zinc/56/30/41/288563041.db2.gz QCSQXYBEYMYOKU-FHWLQOOXSA-N 2 2 304.478 3.256 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000236848836 432767871 /nfs/dbraw/zinc/76/78/71/432767871.db2.gz LFASPDSAIGFPBA-MRXNPFEDSA-N 2 2 318.461 3.058 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000266616348 432770784 /nfs/dbraw/zinc/77/07/84/432770784.db2.gz YGSQUSNCCPSWGA-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000266616348 432770787 /nfs/dbraw/zinc/77/07/87/432770787.db2.gz YGSQUSNCCPSWGA-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237323762 432782901 /nfs/dbraw/zinc/78/29/01/432782901.db2.gz JZCYJEOHEIGMOO-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237323762 432782907 /nfs/dbraw/zinc/78/29/07/432782907.db2.gz JZCYJEOHEIGMOO-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000237256061 432780847 /nfs/dbraw/zinc/78/08/47/432780847.db2.gz WTHLJLSJTJOPSD-IRXDYDNUSA-N 2 2 304.478 3.480 20 0 DGADLP COc1cccc([C@H](C)[NH+]2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000178823664 432780891 /nfs/dbraw/zinc/78/08/91/432780891.db2.gz GZQLNJIXYKWNJM-INIZCTEOSA-N 2 2 311.429 3.282 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237250170 432781080 /nfs/dbraw/zinc/78/10/80/432781080.db2.gz WTHLJLSJTJOPSD-IAGOWNOFSA-N 2 2 304.478 3.480 20 0 DGADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C ZINC000178441650 432737107 /nfs/dbraw/zinc/73/71/07/432737107.db2.gz PCUXXZFOXBXKEI-KRWDZBQOSA-N 2 2 317.477 3.130 20 0 DGADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C ZINC000178441650 432737109 /nfs/dbraw/zinc/73/71/09/432737109.db2.gz PCUXXZFOXBXKEI-KRWDZBQOSA-N 2 2 317.477 3.130 20 0 DGADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccccc1C ZINC000178441650 432737110 /nfs/dbraw/zinc/73/71/10/432737110.db2.gz PCUXXZFOXBXKEI-KRWDZBQOSA-N 2 2 317.477 3.130 20 0 DGADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C ZINC000178441650 432737112 /nfs/dbraw/zinc/73/71/12/432737112.db2.gz PCUXXZFOXBXKEI-KRWDZBQOSA-N 2 2 317.477 3.130 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H]1CCC[NH2+]C1 ZINC000234329619 432740635 /nfs/dbraw/zinc/74/06/35/432740635.db2.gz LWIDDFXTSKCGFE-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1Br)C[C@@H]1CCC[NH2+]C1 ZINC000234329619 432740639 /nfs/dbraw/zinc/74/06/39/432740639.db2.gz LWIDDFXTSKCGFE-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CCC[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000161495192 432782016 /nfs/dbraw/zinc/78/20/16/432782016.db2.gz ZZPOVGUTGZWNJK-GFCCVEGCSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000161495192 432782018 /nfs/dbraw/zinc/78/20/18/432782018.db2.gz ZZPOVGUTGZWNJK-GFCCVEGCSA-N 2 2 315.230 3.162 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277283241 432834220 /nfs/dbraw/zinc/83/42/20/432834220.db2.gz SLNYHZKHHHQJGF-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277283241 432834223 /nfs/dbraw/zinc/83/42/23/432834223.db2.gz SLNYHZKHHHQJGF-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CC(OC(C)C)C1 ZINC000189511905 432794871 /nfs/dbraw/zinc/79/48/71/432794871.db2.gz AXLNNXDQGOEHQI-UHFFFAOYSA-N 2 2 301.434 3.280 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266906383 432795611 /nfs/dbraw/zinc/79/56/11/432795611.db2.gz HTYWPJHKOHPBPR-LBPRGKRZSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266906383 432795616 /nfs/dbraw/zinc/79/56/16/432795616.db2.gz HTYWPJHKOHPBPR-LBPRGKRZSA-N 2 2 305.809 3.451 20 0 DGADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000237968036 432806611 /nfs/dbraw/zinc/80/66/11/432806611.db2.gz JBYAIOGCRVXBEJ-NRFANRHFSA-N 2 2 324.468 3.017 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277603873 432864412 /nfs/dbraw/zinc/86/44/12/432864412.db2.gz FIGPAAOABUDNHD-ZDUSSCGKSA-N 2 2 315.383 3.264 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277603873 432864415 /nfs/dbraw/zinc/86/44/15/432864415.db2.gz FIGPAAOABUDNHD-ZDUSSCGKSA-N 2 2 315.383 3.264 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000245900416 432867686 /nfs/dbraw/zinc/86/76/86/432867686.db2.gz NUIBNDWITWHCLR-OWYHZJEWSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000245900416 432867690 /nfs/dbraw/zinc/86/76/90/432867690.db2.gz NUIBNDWITWHCLR-OWYHZJEWSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000277746901 432874063 /nfs/dbraw/zinc/87/40/63/432874063.db2.gz PHVPNWKACTVDOO-WFASDCNBSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000277746901 432874065 /nfs/dbraw/zinc/87/40/65/432874065.db2.gz PHVPNWKACTVDOO-WFASDCNBSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[NH+]1CCC(C)CC1 ZINC000245550513 432843108 /nfs/dbraw/zinc/84/31/08/432843108.db2.gz HSWZMNRWPCTEJS-XMTFNYHQSA-N 2 2 306.494 3.044 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000277386828 432844280 /nfs/dbraw/zinc/84/42/80/432844280.db2.gz GROWUKJWXHNXAI-OAHLLOKOSA-N 2 2 316.424 3.132 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000277386828 432844282 /nfs/dbraw/zinc/84/42/82/432844282.db2.gz GROWUKJWXHNXAI-OAHLLOKOSA-N 2 2 316.424 3.132 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000245559511 432844569 /nfs/dbraw/zinc/84/45/69/432844569.db2.gz IFWJWEXBOOPNGG-WBVHZDCISA-N 2 2 320.502 3.170 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000245559511 432844574 /nfs/dbraw/zinc/84/45/74/432844574.db2.gz IFWJWEXBOOPNGG-WBVHZDCISA-N 2 2 320.502 3.170 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000163293402 432849773 /nfs/dbraw/zinc/84/97/73/432849773.db2.gz JOIYFTSZBFLMMP-CJNGLKHVSA-N 2 2 305.447 3.105 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000163293402 432849775 /nfs/dbraw/zinc/84/97/75/432849775.db2.gz JOIYFTSZBFLMMP-CJNGLKHVSA-N 2 2 305.447 3.105 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163397896 432851015 /nfs/dbraw/zinc/85/10/15/432851015.db2.gz MEHDYDDLWCWLQK-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163397896 432851018 /nfs/dbraw/zinc/85/10/18/432851018.db2.gz MEHDYDDLWCWLQK-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000289228449 432935325 /nfs/dbraw/zinc/93/53/25/432935325.db2.gz YJHKDGIJPQLUCA-KRWDZBQOSA-N 2 2 312.413 3.094 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000289350907 432948817 /nfs/dbraw/zinc/94/88/17/432948817.db2.gz XKNCKDSNSMNDGM-LJQANCHMSA-N 2 2 315.436 3.354 20 0 DGADLP COCCOc1ccccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289354910 432949097 /nfs/dbraw/zinc/94/90/97/432949097.db2.gz XYFNGSZOUBWKBN-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000296343315 432898303 /nfs/dbraw/zinc/89/83/03/432898303.db2.gz HCTDAVNPKRCENR-DAXOMENPSA-N 2 2 318.852 3.435 20 0 DGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000296423457 432906223 /nfs/dbraw/zinc/90/62/23/432906223.db2.gz MVPNIWVASWVYNP-GJYPPUQNSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000289019209 432913648 /nfs/dbraw/zinc/91/36/48/432913648.db2.gz ANXDAACZNVYJJT-LJQANCHMSA-N 3 2 301.478 3.273 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000289019209 432913650 /nfs/dbraw/zinc/91/36/50/432913650.db2.gz ANXDAACZNVYJJT-LJQANCHMSA-N 3 2 301.478 3.273 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341135632 432972482 /nfs/dbraw/zinc/97/24/82/432972482.db2.gz KYAXBLYKFJPKBZ-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341139046 432972686 /nfs/dbraw/zinc/97/26/86/432972686.db2.gz REGGCUUTSPZYBL-GFCCVEGCSA-N 2 2 317.418 3.078 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341139046 432972694 /nfs/dbraw/zinc/97/26/94/432972694.db2.gz REGGCUUTSPZYBL-GFCCVEGCSA-N 2 2 317.418 3.078 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000349565895 432977159 /nfs/dbraw/zinc/97/71/59/432977159.db2.gz PLJUEXPLSXZEHA-GOSISDBHSA-N 2 2 314.404 3.286 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000349565895 432977160 /nfs/dbraw/zinc/97/71/60/432977160.db2.gz PLJUEXPLSXZEHA-GOSISDBHSA-N 2 2 314.404 3.286 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000289873856 432977307 /nfs/dbraw/zinc/97/73/07/432977307.db2.gz WJINXUZJGVLTLZ-GOSISDBHSA-N 2 2 318.848 3.473 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000297239785 432979317 /nfs/dbraw/zinc/97/93/17/432979317.db2.gz ILOVMAPUMBMYGW-UONOGXRCSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000297239785 432979320 /nfs/dbraw/zinc/97/93/20/432979320.db2.gz ILOVMAPUMBMYGW-UONOGXRCSA-N 3 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@@H+]1C ZINC000297239785 432979323 /nfs/dbraw/zinc/97/93/23/432979323.db2.gz ILOVMAPUMBMYGW-UONOGXRCSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC[N@H+]1C ZINC000297239785 432979326 /nfs/dbraw/zinc/97/93/26/432979326.db2.gz ILOVMAPUMBMYGW-UONOGXRCSA-N 2 2 318.852 3.098 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000279525850 432979617 /nfs/dbraw/zinc/97/96/17/432979617.db2.gz OSKBUXGUMMXOGA-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Clc1cc2c(c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c1)OCC2 ZINC000341192308 432988039 /nfs/dbraw/zinc/98/80/39/432988039.db2.gz RZRZPERMNTWMBV-CQSZACIVSA-N 2 2 320.864 3.193 20 0 DGADLP Clc1cc2c(c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c1)OCC2 ZINC000341192308 432988043 /nfs/dbraw/zinc/98/80/43/432988043.db2.gz RZRZPERMNTWMBV-CQSZACIVSA-N 2 2 320.864 3.193 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H](O)c1ccccc1 ZINC000279645576 432989652 /nfs/dbraw/zinc/98/96/52/432989652.db2.gz JUEPCZAXYIPQPG-FXECBMLZSA-N 2 2 302.462 3.104 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H](O)c1ccccc1 ZINC000279645576 432989655 /nfs/dbraw/zinc/98/96/55/432989655.db2.gz JUEPCZAXYIPQPG-FXECBMLZSA-N 2 2 302.462 3.104 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349692740 432993509 /nfs/dbraw/zinc/99/35/09/432993509.db2.gz KVWMSAHVLVABCF-JXIYXGQPSA-N 2 2 318.436 3.118 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349692740 432993512 /nfs/dbraw/zinc/99/35/12/432993512.db2.gz KVWMSAHVLVABCF-JXIYXGQPSA-N 2 2 318.436 3.118 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000290112402 432994315 /nfs/dbraw/zinc/99/43/15/432994315.db2.gz YNZCGVBZEFUGSR-SJORKVTESA-N 2 2 311.385 3.201 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1NC(C)=O ZINC000289404837 432955042 /nfs/dbraw/zinc/95/50/42/432955042.db2.gz GZWWBRQSGQOHRH-UHFFFAOYSA-N 2 2 305.466 3.199 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1NC(C)=O ZINC000289404837 432955043 /nfs/dbraw/zinc/95/50/43/432955043.db2.gz GZWWBRQSGQOHRH-UHFFFAOYSA-N 2 2 305.466 3.199 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C12CCC[NH+]1CCC2 ZINC000279376977 432961614 /nfs/dbraw/zinc/96/16/14/432961614.db2.gz HMILSTNWJYOPPI-UHFFFAOYSA-N 2 2 323.396 3.441 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393952 433044293 /nfs/dbraw/zinc/04/42/93/433044293.db2.gz IYZQEYRTBUMQKU-SMDDNHRTSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393952 433044297 /nfs/dbraw/zinc/04/42/97/433044297.db2.gz IYZQEYRTBUMQKU-SMDDNHRTSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393952 433044302 /nfs/dbraw/zinc/04/43/02/433044302.db2.gz IYZQEYRTBUMQKU-SMDDNHRTSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393952 433044304 /nfs/dbraw/zinc/04/43/04/433044304.db2.gz IYZQEYRTBUMQKU-SMDDNHRTSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000290157282 433003114 /nfs/dbraw/zinc/00/31/14/433003114.db2.gz LPIIXDZMEUHCKR-IFXJQAMLSA-N 2 2 309.413 3.162 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1)CCC2 ZINC000341246242 433004361 /nfs/dbraw/zinc/00/43/61/433004361.db2.gz HGCNGDHZHJRYFG-HOCLYGCPSA-N 2 2 315.465 3.067 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCc3ccc4c[nH]nc4c3)cc2)c[nH+]1 ZINC000341269829 433010650 /nfs/dbraw/zinc/01/06/50/433010650.db2.gz MMTDKDAMRQLERV-UHFFFAOYSA-N 2 2 317.396 3.081 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000349817775 433015314 /nfs/dbraw/zinc/01/53/14/433015314.db2.gz YYKOJOYGWYIGTA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000349817775 433015317 /nfs/dbraw/zinc/01/53/17/433015317.db2.gz YYKOJOYGWYIGTA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP C[C@H](CC[NH2+][C@H]1C[C@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000297883315 433026811 /nfs/dbraw/zinc/02/68/11/433026811.db2.gz VCWQLPOCYMUSQR-RYRKJORJSA-N 2 2 312.461 3.389 20 0 DGADLP C[C@H](CC[NH2+][C@H]1C[C@H](C)n2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000297883315 433026817 /nfs/dbraw/zinc/02/68/17/433026817.db2.gz VCWQLPOCYMUSQR-RYRKJORJSA-N 2 2 312.461 3.389 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297883603 433027460 /nfs/dbraw/zinc/02/74/60/433027460.db2.gz VFLAOWCXCLKSGK-DIOULYMOSA-N 2 2 305.853 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297883603 433027465 /nfs/dbraw/zinc/02/74/65/433027465.db2.gz VFLAOWCXCLKSGK-DIOULYMOSA-N 2 2 305.853 3.185 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000290298446 433029520 /nfs/dbraw/zinc/02/95/20/433029520.db2.gz HOPMZXFBQGPWQM-UHFFFAOYSA-N 2 2 304.463 3.261 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000341342698 433033787 /nfs/dbraw/zinc/03/37/87/433033787.db2.gz MGJYTLKJVBEKLT-OCCSQVGLSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000341342698 433033792 /nfs/dbraw/zinc/03/37/92/433033792.db2.gz MGJYTLKJVBEKLT-OCCSQVGLSA-N 2 2 308.853 3.454 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000341402748 433049440 /nfs/dbraw/zinc/04/94/40/433049440.db2.gz QUKUJWKPEDGUPT-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000350006026 433049500 /nfs/dbraw/zinc/04/95/00/433049500.db2.gz FGGYQSFARWLUTN-WMZOPIPTSA-N 2 2 317.477 3.268 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000350006026 433049503 /nfs/dbraw/zinc/04/95/03/433049503.db2.gz FGGYQSFARWLUTN-WMZOPIPTSA-N 2 2 317.477 3.268 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000341402747 433050288 /nfs/dbraw/zinc/05/02/88/433050288.db2.gz QUKUJWKPEDGUPT-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000290485312 433064124 /nfs/dbraw/zinc/06/41/24/433064124.db2.gz VORLBSFWQOTULS-GOSISDBHSA-N 2 2 320.383 3.098 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000280513729 433064437 /nfs/dbraw/zinc/06/44/37/433064437.db2.gz HAJLJIXXFHTDDQ-UHFFFAOYSA-N 2 2 314.433 3.211 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)c2ccccc21 ZINC000419726470 433066228 /nfs/dbraw/zinc/06/62/28/433066228.db2.gz JWPLEMFQVSASRV-QZTJIDSGSA-N 2 2 312.461 3.460 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)co1 ZINC000350098358 433075216 /nfs/dbraw/zinc/07/52/16/433075216.db2.gz LSCMDTIBQHRFAF-RHSMWYFYSA-N 2 2 322.449 3.056 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1-c1ccccc1 ZINC000446886740 433123361 /nfs/dbraw/zinc/12/33/61/433123361.db2.gz JJKHIIGUOJKNFI-UHFFFAOYSA-N 3 2 324.472 3.145 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NCc3ccc([C@@H](C)[NH3+])cc3)c2c1 ZINC000420216407 433124920 /nfs/dbraw/zinc/12/49/20/433124920.db2.gz UAUDISTWNBBHBL-GFCCVEGCSA-N 2 2 322.412 3.001 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420230600 433131121 /nfs/dbraw/zinc/13/11/21/433131121.db2.gz QIIAKWBYJQKRRE-BFHYXJOUSA-N 2 2 302.466 3.071 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000446939850 433132832 /nfs/dbraw/zinc/13/28/32/433132832.db2.gz QFMKEHWPMWLLIW-UXPWSPDFSA-N 2 2 316.489 3.300 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000446939850 433132843 /nfs/dbraw/zinc/13/28/43/433132843.db2.gz QFMKEHWPMWLLIW-UXPWSPDFSA-N 2 2 316.489 3.300 20 0 DGADLP CCCOc1cccc2c(N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc[nH+]c12 ZINC000420260857 433137615 /nfs/dbraw/zinc/13/76/15/433137615.db2.gz OLGZIKJDDYMEEO-LSDHHAIUSA-N 2 2 311.429 3.069 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000453384079 433138936 /nfs/dbraw/zinc/13/89/36/433138936.db2.gz ZIEHMPSSUGRLLY-OXQOHEQNSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000453384079 433138939 /nfs/dbraw/zinc/13/89/39/433138939.db2.gz ZIEHMPSSUGRLLY-OXQOHEQNSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([NH3+])CC2)cc1 ZINC000420279460 433143815 /nfs/dbraw/zinc/14/38/15/433143815.db2.gz XHCNGTNOYBQKJP-IBGZPJMESA-N 2 2 323.440 3.098 20 0 DGADLP COC(=O)c1sc2ccccc2c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000420287268 433144647 /nfs/dbraw/zinc/14/46/47/433144647.db2.gz HTARQXQUELAXTM-UHFFFAOYSA-N 2 2 320.458 3.105 20 0 DGADLP COC(=O)c1sc2ccccc2c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420287268 433144656 /nfs/dbraw/zinc/14/46/56/433144656.db2.gz HTARQXQUELAXTM-UHFFFAOYSA-N 2 2 320.458 3.105 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccccc3C)CC2)nc(C2CC2)[nH+]1 ZINC000341510026 433105887 /nfs/dbraw/zinc/10/58/87/433105887.db2.gz XSXSERJUVCFPTL-UHFFFAOYSA-N 2 2 322.456 3.293 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828461 433109354 /nfs/dbraw/zinc/10/93/54/433109354.db2.gz UWONMVBMLNATMC-QFBILLFUSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828461 433109359 /nfs/dbraw/zinc/10/93/59/433109359.db2.gz UWONMVBMLNATMC-QFBILLFUSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000157462577 289507298 /nfs/dbraw/zinc/50/72/98/289507298.db2.gz SSDFWAVARHFXTI-IEBWSBKVSA-N 2 2 312.461 3.088 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)nn(C(C)(C)C)c1C ZINC000373168743 433111575 /nfs/dbraw/zinc/11/15/75/433111575.db2.gz WNMBOOQSZLMELM-SJORKVTESA-N 2 2 318.509 3.314 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)nn(C(C)(C)C)c1C ZINC000373168743 433111584 /nfs/dbraw/zinc/11/15/84/433111584.db2.gz WNMBOOQSZLMELM-SJORKVTESA-N 2 2 318.509 3.314 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nn(C(C)(C)C)c1C ZINC000373168743 433111590 /nfs/dbraw/zinc/11/15/90/433111590.db2.gz WNMBOOQSZLMELM-SJORKVTESA-N 2 2 318.509 3.314 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nn(C(C)(C)C)c1C ZINC000373168743 433111598 /nfs/dbraw/zinc/11/15/98/433111598.db2.gz WNMBOOQSZLMELM-SJORKVTESA-N 2 2 318.509 3.314 20 0 DGADLP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341525554 433112930 /nfs/dbraw/zinc/11/29/30/433112930.db2.gz YROINZKKKUCKBM-SCLBCKFNSA-N 2 2 302.466 3.585 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cccc(O)c2)CC1 ZINC000290613030 433117341 /nfs/dbraw/zinc/11/73/41/433117341.db2.gz WPWIRQYCWHNFBO-UHFFFAOYSA-N 2 2 300.402 3.082 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccc(O)c2)CC1 ZINC000290613030 433117345 /nfs/dbraw/zinc/11/73/45/433117345.db2.gz WPWIRQYCWHNFBO-UHFFFAOYSA-N 2 2 300.402 3.082 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c[nH+]1 ZINC000354573650 433158111 /nfs/dbraw/zinc/15/81/11/433158111.db2.gz NCPCLBPXTVPWOA-IBGZPJMESA-N 3 2 303.494 3.280 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c[nH+]1 ZINC000354573650 433158118 /nfs/dbraw/zinc/15/81/18/433158118.db2.gz NCPCLBPXTVPWOA-IBGZPJMESA-N 3 2 303.494 3.280 20 0 DGADLP Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425324260 433161536 /nfs/dbraw/zinc/16/15/36/433161536.db2.gz KDRZISQJOIFRFA-QGZVFWFLSA-N 2 2 312.461 3.002 20 0 DGADLP Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425324260 433161542 /nfs/dbraw/zinc/16/15/42/433161542.db2.gz KDRZISQJOIFRFA-QGZVFWFLSA-N 2 2 312.461 3.002 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)n1C ZINC000425324264 433162848 /nfs/dbraw/zinc/16/28/48/433162848.db2.gz KFBJWDBYLVUFQN-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)n1C ZINC000425324264 433162853 /nfs/dbraw/zinc/16/28/53/433162853.db2.gz KFBJWDBYLVUFQN-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324875 433164681 /nfs/dbraw/zinc/16/46/81/433164681.db2.gz VNHNWYWGHCFEIS-WDEREUQCSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324875 433164694 /nfs/dbraw/zinc/16/46/94/433164694.db2.gz VNHNWYWGHCFEIS-WDEREUQCSA-N 2 2 323.412 3.257 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@@H]1C ZINC000447177297 433169016 /nfs/dbraw/zinc/16/90/16/433169016.db2.gz NCEXOHJCIIIENU-ZFWWWQNUSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@@H]1C ZINC000447177297 433169025 /nfs/dbraw/zinc/16/90/25/433169025.db2.gz NCEXOHJCIIIENU-ZFWWWQNUSA-N 2 2 304.438 3.035 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)n1C ZINC000425328481 433170074 /nfs/dbraw/zinc/17/00/74/433170074.db2.gz RMMXHYDHFZWQDM-QGZVFWFLSA-N 2 2 312.461 3.083 20 0 DGADLP OC1CC(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000361434173 433169996 /nfs/dbraw/zinc/16/99/96/433169996.db2.gz BFDQMTVECYGELA-UHFFFAOYSA-N 2 2 322.880 3.055 20 0 DGADLP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1(C[NH3+])CCC1 ZINC000420333290 433171357 /nfs/dbraw/zinc/17/13/57/433171357.db2.gz SOXRTZSWHNESRU-UHFFFAOYSA-N 2 2 320.440 3.315 20 0 DGADLP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1(C[NH3+])CCC1 ZINC000420333290 433171363 /nfs/dbraw/zinc/17/13/63/433171363.db2.gz SOXRTZSWHNESRU-UHFFFAOYSA-N 2 2 320.440 3.315 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000425336382 433174232 /nfs/dbraw/zinc/17/42/32/433174232.db2.gz KTIJPPUWYIXZKY-OAHLLOKOSA-N 2 2 318.490 3.404 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000420357784 433175205 /nfs/dbraw/zinc/17/52/05/433175205.db2.gz HTNLNIJULVWSQG-HNNXBMFYSA-N 2 2 319.836 3.473 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3c2OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336705990 433176861 /nfs/dbraw/zinc/17/68/61/433176861.db2.gz MTKMWIDKBVPLQC-CRAIPNDOSA-N 2 2 324.424 3.168 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000336705990 433176874 /nfs/dbraw/zinc/17/68/74/433176874.db2.gz MTKMWIDKBVPLQC-CRAIPNDOSA-N 2 2 324.424 3.168 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420358407 433178074 /nfs/dbraw/zinc/17/80/74/433178074.db2.gz IQTSPDYOSKWSSG-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000420354690 433178832 /nfs/dbraw/zinc/17/88/32/433178832.db2.gz BHSOUWQUROCCHK-SFHVURJKSA-N 2 2 317.408 3.478 20 0 DGADLP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000420364549 433180471 /nfs/dbraw/zinc/18/04/71/433180471.db2.gz REFWJMHYYOOHHP-OAHLLOKOSA-N 2 2 320.412 3.232 20 0 DGADLP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000420364549 433180479 /nfs/dbraw/zinc/18/04/79/433180479.db2.gz REFWJMHYYOOHHP-OAHLLOKOSA-N 2 2 320.412 3.232 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340582 433180868 /nfs/dbraw/zinc/18/08/68/433180868.db2.gz BCAKHMVNDHLLPP-RKVPGOIHSA-N 2 2 312.461 3.253 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340582 433180877 /nfs/dbraw/zinc/18/08/77/433180877.db2.gz BCAKHMVNDHLLPP-RKVPGOIHSA-N 2 2 312.461 3.253 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000420364332 433181285 /nfs/dbraw/zinc/18/12/85/433181285.db2.gz KHNKRFNLVHBBTL-XHBSWPGZSA-N 2 2 303.837 3.364 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000361457262 433182712 /nfs/dbraw/zinc/18/27/12/433182712.db2.gz RFIVDXFPGSHCCN-VIFPVBQESA-N 2 2 306.294 3.191 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361457397 433183455 /nfs/dbraw/zinc/18/34/55/433183455.db2.gz SFXSEZZLNJKUBO-SECBINFHSA-N 2 2 306.294 3.334 20 0 DGADLP CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420365949 433183667 /nfs/dbraw/zinc/18/36/67/433183667.db2.gz QOWCLOCSQKABAG-OAHLLOKOSA-N 2 2 318.417 3.073 20 0 DGADLP CCOc1ccc(C2=CC[N@H+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000298574076 433185155 /nfs/dbraw/zinc/18/51/55/433185155.db2.gz XGTVNTFZHVIVAO-UHFFFAOYSA-N 2 2 311.429 3.151 20 0 DGADLP CCOc1ccc(C2=CC[N@@H+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000298574076 433185166 /nfs/dbraw/zinc/18/51/66/433185166.db2.gz XGTVNTFZHVIVAO-UHFFFAOYSA-N 2 2 311.429 3.151 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336723871 433186129 /nfs/dbraw/zinc/18/61/29/433186129.db2.gz WSZJKEUPUTWFIQ-AUUYWEPGSA-N 2 2 314.404 3.284 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000336723871 433186136 /nfs/dbraw/zinc/18/61/36/433186136.db2.gz WSZJKEUPUTWFIQ-AUUYWEPGSA-N 2 2 314.404 3.284 20 0 DGADLP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000453439664 433186547 /nfs/dbraw/zinc/18/65/47/433186547.db2.gz VWYCJSDJPAYSSC-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000453439664 433186560 /nfs/dbraw/zinc/18/65/60/433186560.db2.gz VWYCJSDJPAYSSC-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000420378133 433186746 /nfs/dbraw/zinc/18/67/46/433186746.db2.gz WUEUXKCYNFQGNZ-BFQNTYOBSA-N 2 2 303.837 3.364 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000420377770 433188670 /nfs/dbraw/zinc/18/86/70/433188670.db2.gz WOZXFXDQJRJZRF-QGZVFWFLSA-N 2 2 317.408 3.478 20 0 DGADLP Clc1nccc(C[NH2+]CCC[NH+]2CCCCC2)c1Cl ZINC000290857088 433189112 /nfs/dbraw/zinc/18/91/12/433189112.db2.gz KEVCUVMNDZXJMZ-UHFFFAOYSA-N 2 2 302.249 3.354 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420388435 433190178 /nfs/dbraw/zinc/19/01/78/433190178.db2.gz GXLQCQSNVJHRBU-FMKPAKJESA-N 2 2 323.506 3.205 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420388435 433190188 /nfs/dbraw/zinc/19/01/88/433190188.db2.gz GXLQCQSNVJHRBU-FMKPAKJESA-N 2 2 323.506 3.205 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387988 433192093 /nfs/dbraw/zinc/19/20/93/433192093.db2.gz GTCWANIIZZKOBV-CJNGLKHVSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387988 433192098 /nfs/dbraw/zinc/19/20/98/433192098.db2.gz GTCWANIIZZKOBV-CJNGLKHVSA-N 2 2 308.853 3.313 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000420382748 433192155 /nfs/dbraw/zinc/19/21/55/433192155.db2.gz ZZGOZLNIBSGNKK-HSMVNMDESA-N 2 2 303.837 3.364 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000336863804 433192459 /nfs/dbraw/zinc/19/24/59/433192459.db2.gz ISOQGSVNRFBZOG-GBESFXJTSA-N 2 2 302.462 3.228 20 0 DGADLP COC(=O)c1ccc2c(c1)C[N@@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000354639239 433192703 /nfs/dbraw/zinc/19/27/03/433192703.db2.gz SCFUAUHTMLBGQQ-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP COC(=O)c1ccc2c(c1)C[N@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000354639239 433192713 /nfs/dbraw/zinc/19/27/13/433192713.db2.gz SCFUAUHTMLBGQQ-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)co1 ZINC000420387688 433192832 /nfs/dbraw/zinc/19/28/32/433192832.db2.gz GLNXWIICQQEWIV-XJKSGUPXSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)co1 ZINC000420387688 433192841 /nfs/dbraw/zinc/19/28/41/433192841.db2.gz GLNXWIICQQEWIV-XJKSGUPXSA-N 2 2 317.458 3.367 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC000420384262 433193335 /nfs/dbraw/zinc/19/33/35/433193335.db2.gz GJKVWKYQRIMPPX-RBUKOAKNSA-N 2 2 320.452 3.149 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC000420384262 433193344 /nfs/dbraw/zinc/19/33/44/433193344.db2.gz GJKVWKYQRIMPPX-RBUKOAKNSA-N 2 2 320.452 3.149 20 0 DGADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000453452934 433193649 /nfs/dbraw/zinc/19/36/49/433193649.db2.gz SOCJAPAUBCWHNP-MOPGFXCFSA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000453452937 433194030 /nfs/dbraw/zinc/19/40/30/433194030.db2.gz SOCJAPAUBCWHNP-RTBURBONSA-N 2 2 301.478 3.460 20 0 DGADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1cccc(F)c1 ZINC000420397524 433195242 /nfs/dbraw/zinc/19/52/42/433195242.db2.gz XNGGSSNNEYYWMA-OTWHNJEPSA-N 2 2 314.379 3.379 20 0 DGADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1cccc(F)c1 ZINC000420397524 433195252 /nfs/dbraw/zinc/19/52/52/433195252.db2.gz XNGGSSNNEYYWMA-OTWHNJEPSA-N 2 2 314.379 3.379 20 0 DGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1F ZINC000420393586 433195339 /nfs/dbraw/zinc/19/53/39/433195339.db2.gz XVXBXFKCSALJAY-QXAKKESOSA-N 2 2 314.379 3.379 20 0 DGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1F ZINC000420393586 433195351 /nfs/dbraw/zinc/19/53/51/433195351.db2.gz XVXBXFKCSALJAY-QXAKKESOSA-N 2 2 314.379 3.379 20 0 DGADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000453451712 433195499 /nfs/dbraw/zinc/19/54/99/433195499.db2.gz RRRMVNCCPNOVCP-OALUTQOASA-N 2 2 301.478 3.460 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2nn(C)c3ccccc23)c[nH+]1 ZINC000354641875 433198917 /nfs/dbraw/zinc/19/89/17/433198917.db2.gz WBERTICOYZLWRQ-UHFFFAOYSA-N 2 2 308.429 3.042 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000420409762 433199773 /nfs/dbraw/zinc/19/97/73/433199773.db2.gz QUKGCJQWDGMBCW-AEGPPILISA-N 2 2 314.433 3.023 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000420409762 433199781 /nfs/dbraw/zinc/19/97/81/433199781.db2.gz QUKGCJQWDGMBCW-AEGPPILISA-N 2 2 314.433 3.023 20 0 DGADLP CC(C)n1c[nH+]cc1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000425388708 433216894 /nfs/dbraw/zinc/21/68/94/433216894.db2.gz WPGXUJWTSSZPHZ-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP CC(C)n1c[nH+]cc1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC000425388708 433216906 /nfs/dbraw/zinc/21/69/06/433216906.db2.gz WPGXUJWTSSZPHZ-UHFFFAOYSA-N 2 2 304.438 3.011 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000337323298 433222478 /nfs/dbraw/zinc/22/24/78/433222478.db2.gz AHACROGXFXKXLG-INIZCTEOSA-N 2 2 304.478 3.226 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000337323298 433222486 /nfs/dbraw/zinc/22/24/86/433222486.db2.gz AHACROGXFXKXLG-INIZCTEOSA-N 2 2 304.478 3.226 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422603 433238692 /nfs/dbraw/zinc/23/86/92/433238692.db2.gz PJEMSYUVVBGQNE-VQIMIIECSA-N 2 2 313.445 3.234 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000425422603 433238701 /nfs/dbraw/zinc/23/87/01/433238701.db2.gz PJEMSYUVVBGQNE-VQIMIIECSA-N 2 2 313.445 3.234 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000453621284 433243562 /nfs/dbraw/zinc/24/35/62/433243562.db2.gz YQRLPZCURKEERY-UHFFFAOYSA-N 2 2 300.450 3.214 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000453621284 433243569 /nfs/dbraw/zinc/24/35/69/433243569.db2.gz YQRLPZCURKEERY-UHFFFAOYSA-N 2 2 300.450 3.214 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566368 433249977 /nfs/dbraw/zinc/24/99/77/433249977.db2.gz PZGYRISMNYNHHA-WMZOPIPTSA-N 2 2 318.509 3.231 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566368 433249987 /nfs/dbraw/zinc/24/99/87/433249987.db2.gz PZGYRISMNYNHHA-WMZOPIPTSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566368 433249989 /nfs/dbraw/zinc/24/99/89/433249989.db2.gz PZGYRISMNYNHHA-WMZOPIPTSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@@H]1C ZINC000361566368 433249996 /nfs/dbraw/zinc/24/99/96/433249996.db2.gz PZGYRISMNYNHHA-WMZOPIPTSA-N 2 2 318.509 3.231 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000291519880 433256761 /nfs/dbraw/zinc/25/67/61/433256761.db2.gz JAPRANPITRKYME-AWEZNQCLSA-N 2 2 316.367 3.327 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000291519880 433256768 /nfs/dbraw/zinc/25/67/68/433256768.db2.gz JAPRANPITRKYME-AWEZNQCLSA-N 2 2 316.367 3.327 20 0 DGADLP Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000299125615 433324186 /nfs/dbraw/zinc/32/41/86/433324186.db2.gz BMIKEVKNXIREAJ-UHFFFAOYSA-N 2 2 309.413 3.241 20 0 DGADLP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374895244 433300157 /nfs/dbraw/zinc/30/01/57/433300157.db2.gz MRQJJDNDJMMCSW-DOTOQJQBSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895244 433300167 /nfs/dbraw/zinc/30/01/67/433300167.db2.gz MRQJJDNDJMMCSW-DOTOQJQBSA-N 2 2 315.486 3.452 20 0 DGADLP CCc1nc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822013 433300675 /nfs/dbraw/zinc/30/06/75/433300675.db2.gz KONDIVXLAXKWAX-WBVHZDCISA-N 2 2 310.445 3.595 20 0 DGADLP CCc1nc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822013 433300680 /nfs/dbraw/zinc/30/06/80/433300680.db2.gz KONDIVXLAXKWAX-WBVHZDCISA-N 2 2 310.445 3.595 20 0 DGADLP C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915284 433313189 /nfs/dbraw/zinc/31/31/89/433313189.db2.gz LHHRCXJFKFTRCD-IRXDYDNUSA-N 2 2 302.462 3.282 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375084350 433354371 /nfs/dbraw/zinc/35/43/71/433354371.db2.gz GKBCAHXRLVQRAR-LBPRGKRZSA-N 2 2 314.414 3.188 20 0 DGADLP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1c(F)cccc1F ZINC000425902663 433369519 /nfs/dbraw/zinc/36/95/19/433369519.db2.gz SZQKTNLVNGWFNS-NSHDSACASA-N 2 2 321.371 3.271 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000299554987 433371359 /nfs/dbraw/zinc/37/13/59/433371359.db2.gz LPEPVNZTVFNROK-UHFFFAOYSA-N 2 2 323.868 3.083 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000299554987 433371367 /nfs/dbraw/zinc/37/13/67/433371367.db2.gz LPEPVNZTVFNROK-UHFFFAOYSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068784 433371478 /nfs/dbraw/zinc/37/14/78/433371478.db2.gz ISJVSCSGWZWKSL-GJZGRUSLSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000414068784 433371484 /nfs/dbraw/zinc/37/14/84/433371484.db2.gz ISJVSCSGWZWKSL-GJZGRUSLSA-N 2 2 318.490 3.044 20 0 DGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H]1CC=CCC1 ZINC000420930457 433326869 /nfs/dbraw/zinc/32/68/69/433326869.db2.gz FNKNKAYHCPRZBM-GOSISDBHSA-N 2 2 314.473 3.307 20 0 DGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H]1CC=CCC1 ZINC000420930457 433326874 /nfs/dbraw/zinc/32/68/74/433326874.db2.gz FNKNKAYHCPRZBM-GOSISDBHSA-N 2 2 314.473 3.307 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341874903 433331213 /nfs/dbraw/zinc/33/12/13/433331213.db2.gz KXFIAGLDIGWVST-SCTDSRPQSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341874903 433331224 /nfs/dbraw/zinc/33/12/24/433331224.db2.gz KXFIAGLDIGWVST-SCTDSRPQSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341874903 433331232 /nfs/dbraw/zinc/33/12/32/433331232.db2.gz KXFIAGLDIGWVST-SCTDSRPQSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341874903 433331246 /nfs/dbraw/zinc/33/12/46/433331246.db2.gz KXFIAGLDIGWVST-SCTDSRPQSA-N 2 2 302.462 3.150 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000341885596 433335088 /nfs/dbraw/zinc/33/50/88/433335088.db2.gz FNOZGHMYUPIQNZ-OAHLLOKOSA-N 2 2 323.318 3.149 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000341885596 433335097 /nfs/dbraw/zinc/33/50/97/433335097.db2.gz FNOZGHMYUPIQNZ-OAHLLOKOSA-N 2 2 323.318 3.149 20 0 DGADLP C[NH+](C)CCOc1ccc([NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000281915062 433425674 /nfs/dbraw/zinc/42/56/74/433425674.db2.gz AGCOQCTWVDHBPN-GOSISDBHSA-N 2 2 318.461 3.388 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292009234 433427763 /nfs/dbraw/zinc/42/77/63/433427763.db2.gz BKAHBAQHQQCLMU-INIZCTEOSA-N 2 2 316.453 3.001 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159156 433429440 /nfs/dbraw/zinc/42/94/40/433429440.db2.gz YCSNTLYPDSEPFV-SJLPKXTDSA-N 2 2 324.472 3.002 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159156 433429454 /nfs/dbraw/zinc/42/94/54/433429454.db2.gz YCSNTLYPDSEPFV-SJLPKXTDSA-N 2 2 324.472 3.002 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000414083597 433383910 /nfs/dbraw/zinc/38/39/10/433383910.db2.gz WTUOGBJCJLFRHP-CQSZACIVSA-N 2 2 324.428 3.120 20 0 DGADLP Fc1cncc([C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C2CC2)c1 ZINC000281825776 433395972 /nfs/dbraw/zinc/39/59/72/433395972.db2.gz ZXQHCHNGDWWMQI-QZTJIDSGSA-N 2 2 303.425 3.278 20 0 DGADLP Fc1cncc([C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C2CC2)c1 ZINC000281825776 433395978 /nfs/dbraw/zinc/39/59/78/433395978.db2.gz ZXQHCHNGDWWMQI-QZTJIDSGSA-N 2 2 303.425 3.278 20 0 DGADLP Fc1cc(F)cc([C@]2(F)CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000375284388 433405598 /nfs/dbraw/zinc/40/55/98/433405598.db2.gz OJEJHDITEHAHJG-INIZCTEOSA-N 2 2 309.335 3.122 20 0 DGADLP Fc1cc(F)cc([C@]2(F)CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000375284388 433405606 /nfs/dbraw/zinc/40/56/06/433405606.db2.gz OJEJHDITEHAHJG-INIZCTEOSA-N 2 2 309.335 3.122 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCCOC(C)C ZINC000361839756 433411191 /nfs/dbraw/zinc/41/11/91/433411191.db2.gz LLXAVZSZDUJIFW-UHFFFAOYSA-N 2 2 301.434 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCCOC(C)C ZINC000361839756 433411196 /nfs/dbraw/zinc/41/11/96/433411196.db2.gz LLXAVZSZDUJIFW-UHFFFAOYSA-N 2 2 301.434 3.428 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCOC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000355046121 433435268 /nfs/dbraw/zinc/43/52/68/433435268.db2.gz DIAUWGMRKKICMK-HIFRSBDPSA-N 2 2 316.367 3.023 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCOC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000355046121 433435272 /nfs/dbraw/zinc/43/52/72/433435272.db2.gz DIAUWGMRKKICMK-HIFRSBDPSA-N 2 2 316.367 3.023 20 0 DGADLP CCc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361887620 433437686 /nfs/dbraw/zinc/43/76/86/433437686.db2.gz FBVVGRMPGBWMMR-UHFFFAOYSA-N 2 2 309.457 3.398 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179099 433444116 /nfs/dbraw/zinc/44/41/16/433444116.db2.gz LEPWEFIRXYJGTB-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179099 433444121 /nfs/dbraw/zinc/44/41/21/433444121.db2.gz LEPWEFIRXYJGTB-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000292073985 433453292 /nfs/dbraw/zinc/45/32/92/433453292.db2.gz DYBQNNDEDSZQSG-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000292073985 433453304 /nfs/dbraw/zinc/45/33/04/433453304.db2.gz DYBQNNDEDSZQSG-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3sccc3Br)C2)C1 ZINC000292073985 433453310 /nfs/dbraw/zinc/45/33/10/433453310.db2.gz DYBQNNDEDSZQSG-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000292073985 433453319 /nfs/dbraw/zinc/45/33/19/433453319.db2.gz DYBQNNDEDSZQSG-CYBMUJFWSA-N 2 2 315.280 3.038 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2o1 ZINC000158987379 292781399 /nfs/dbraw/zinc/78/13/99/292781399.db2.gz BMXGAUVJELOTCD-DOTOQJQBSA-N 2 2 316.445 3.176 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)o1 ZINC000342087812 433461754 /nfs/dbraw/zinc/46/17/54/433461754.db2.gz PXGMRBPMWHZIAB-CFVMTHIKSA-N 2 2 317.458 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)o1 ZINC000342087812 433461759 /nfs/dbraw/zinc/46/17/59/433461759.db2.gz PXGMRBPMWHZIAB-CFVMTHIKSA-N 2 2 317.458 3.271 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000342094558 433466711 /nfs/dbraw/zinc/46/67/11/433466711.db2.gz XIGHRUIFJGBMNT-BPUTZDHNSA-N 2 2 307.507 3.291 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000342094558 433466719 /nfs/dbraw/zinc/46/67/19/433466719.db2.gz XIGHRUIFJGBMNT-BPUTZDHNSA-N 2 2 307.507 3.291 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@@H]21 ZINC000342098753 433469352 /nfs/dbraw/zinc/46/93/52/433469352.db2.gz IWUJUWZQLGXQCK-FPMFFAJLSA-N 2 2 319.499 3.431 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@@H]21 ZINC000342098753 433469359 /nfs/dbraw/zinc/46/93/59/433469359.db2.gz IWUJUWZQLGXQCK-FPMFFAJLSA-N 2 2 319.499 3.431 20 0 DGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361968361 433475379 /nfs/dbraw/zinc/47/53/79/433475379.db2.gz PAQLXLVCEWQUNZ-OAUYIBNBSA-N 2 2 308.466 3.086 20 0 DGADLP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)[nH]1 ZINC000355123199 433477612 /nfs/dbraw/zinc/47/76/12/433477612.db2.gz MZHKPGBKUSPHLN-TZMCWYRMSA-N 2 2 301.438 3.305 20 0 DGADLP Clc1ccc([C@@H]2CN(CCCn3cc[nH+]c3)CCO2)s1 ZINC000361984332 433479050 /nfs/dbraw/zinc/47/90/50/433479050.db2.gz BBMLEVPWOSEOQJ-LBPRGKRZSA-N 2 2 311.838 3.062 20 0 DGADLP Clc1ccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)s1 ZINC000361984332 433479061 /nfs/dbraw/zinc/47/90/61/433479061.db2.gz BBMLEVPWOSEOQJ-LBPRGKRZSA-N 2 2 311.838 3.062 20 0 DGADLP Clc1ccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)s1 ZINC000361984332 433479070 /nfs/dbraw/zinc/47/90/70/433479070.db2.gz BBMLEVPWOSEOQJ-LBPRGKRZSA-N 2 2 311.838 3.062 20 0 DGADLP COC1CCC(C)(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000355138191 433484985 /nfs/dbraw/zinc/48/49/85/433484985.db2.gz RPKRCJGFFDXQTQ-UHFFFAOYSA-N 2 2 301.434 3.328 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171584 433518467 /nfs/dbraw/zinc/51/84/67/433518467.db2.gz QWMVVBZVBOXHFC-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171584 433518473 /nfs/dbraw/zinc/51/84/73/433518473.db2.gz QWMVVBZVBOXHFC-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171584 433518480 /nfs/dbraw/zinc/51/84/80/433518480.db2.gz QWMVVBZVBOXHFC-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171584 433518488 /nfs/dbraw/zinc/51/84/88/433518488.db2.gz QWMVVBZVBOXHFC-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000339325837 433519637 /nfs/dbraw/zinc/51/96/37/433519637.db2.gz OYLJTYLNEDTKRJ-FUHWJXTLSA-N 2 2 318.461 3.424 20 0 DGADLP FC1(F)Oc2cccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2O1 ZINC000414299051 433525099 /nfs/dbraw/zinc/52/50/99/433525099.db2.gz JIKFEDHKORWFHF-UHFFFAOYSA-N 2 2 324.371 3.115 20 0 DGADLP CC(C)C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccs1 ZINC000414311493 433533804 /nfs/dbraw/zinc/53/38/04/433533804.db2.gz IOOHVUKNRDVSRI-AWEZNQCLSA-N 2 2 306.479 3.425 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)C[NH+]1CCOCC1 ZINC000339274497 433488675 /nfs/dbraw/zinc/48/86/75/433488675.db2.gz NUWYOEXNCKILOM-MRXNPFEDSA-N 2 2 302.462 3.012 20 0 DGADLP Cc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc[nH+]1 ZINC000301286852 433489888 /nfs/dbraw/zinc/48/98/88/433489888.db2.gz ZPEGORZUGZCTKQ-UHFFFAOYSA-N 2 2 318.371 3.140 20 0 DGADLP COCC(C)(C)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000426409409 433494132 /nfs/dbraw/zinc/49/41/32/433494132.db2.gz DYKITSAERBQTIV-MRXNPFEDSA-N 2 2 315.461 3.482 20 0 DGADLP COCC(C)(C)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000426409409 433494141 /nfs/dbraw/zinc/49/41/41/433494141.db2.gz DYKITSAERBQTIV-MRXNPFEDSA-N 2 2 315.461 3.482 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@H](C)[NH+]1CCOCC1 ZINC000301292767 433494325 /nfs/dbraw/zinc/49/43/25/433494325.db2.gz QUOADCUNRPOAPZ-OLZOCXBDSA-N 2 2 319.836 3.409 20 0 DGADLP CCc1nocc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000339291096 433499245 /nfs/dbraw/zinc/49/92/45/433499245.db2.gz VHPOZFZQWCUAJD-OAHLLOKOSA-N 2 2 301.434 3.237 20 0 DGADLP CCc1nocc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000339291096 433499253 /nfs/dbraw/zinc/49/92/53/433499253.db2.gz VHPOZFZQWCUAJD-OAHLLOKOSA-N 2 2 301.434 3.237 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(C(F)F)CC3)sc2C1 ZINC000355156965 433499787 /nfs/dbraw/zinc/49/97/87/433499787.db2.gz RMSBZDPWOFLRAK-UHFFFAOYSA-N 2 2 315.433 3.045 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(C(F)F)CC3)sc2C1 ZINC000355156965 433499797 /nfs/dbraw/zinc/49/97/97/433499797.db2.gz RMSBZDPWOFLRAK-UHFFFAOYSA-N 2 2 315.433 3.045 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000339287534 433500928 /nfs/dbraw/zinc/50/09/28/433500928.db2.gz PPFNFSARFZDVQI-GFCCVEGCSA-N 2 2 322.503 3.178 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414283672 433509034 /nfs/dbraw/zinc/50/90/34/433509034.db2.gz PKTLZDFITKRUBQ-HRAJDOBDSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414283672 433509042 /nfs/dbraw/zinc/50/90/42/433509042.db2.gz PKTLZDFITKRUBQ-HRAJDOBDSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414283675 433509333 /nfs/dbraw/zinc/50/93/33/433509333.db2.gz PKTLZDFITKRUBQ-LHXSAFEUSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414283675 433509337 /nfs/dbraw/zinc/50/93/37/433509337.db2.gz PKTLZDFITKRUBQ-LHXSAFEUSA-N 2 2 302.462 3.053 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000339389606 433552306 /nfs/dbraw/zinc/55/23/06/433552306.db2.gz HKQLRVSEEGKERY-HZPDHXFCSA-N 2 2 314.433 3.453 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000339389606 433552312 /nfs/dbraw/zinc/55/23/12/433552312.db2.gz HKQLRVSEEGKERY-HZPDHXFCSA-N 2 2 314.433 3.453 20 0 DGADLP CCOc1ccccc1[C@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414343225 433554647 /nfs/dbraw/zinc/55/46/47/433554647.db2.gz NCAPSQNPQJUDLG-INIZCTEOSA-N 2 2 316.449 3.126 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000339389604 433554980 /nfs/dbraw/zinc/55/49/80/433554980.db2.gz HKQLRVSEEGKERY-CVEARBPZSA-N 2 2 314.433 3.453 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000339389604 433554989 /nfs/dbraw/zinc/55/49/89/433554989.db2.gz HKQLRVSEEGKERY-CVEARBPZSA-N 2 2 314.433 3.453 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414348755 433560198 /nfs/dbraw/zinc/56/01/98/433560198.db2.gz XQTRBDQWYHRMAH-AMVTXUCVSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000414348755 433560210 /nfs/dbraw/zinc/56/02/10/433560210.db2.gz XQTRBDQWYHRMAH-AMVTXUCVSA-N 2 2 300.446 3.014 20 0 DGADLP COc1ccc2nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)sc2c1 ZINC000339405966 433563038 /nfs/dbraw/zinc/56/30/38/433563038.db2.gz FALQYPKQHVJJEC-CYBMUJFWSA-N 2 2 307.463 3.110 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)sc2c1 ZINC000339405966 433563043 /nfs/dbraw/zinc/56/30/43/433563043.db2.gz FALQYPKQHVJJEC-CYBMUJFWSA-N 2 2 307.463 3.110 20 0 DGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000414353792 433564800 /nfs/dbraw/zinc/56/48/00/433564800.db2.gz SWHZEKHLUASMPW-IHWFROFDSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC000414353792 433564810 /nfs/dbraw/zinc/56/48/10/433564810.db2.gz SWHZEKHLUASMPW-IHWFROFDSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1cccn2c(CNc3[nH+]ccn3Cc3ccccc3)c[nH+]c12 ZINC000351547236 433564925 /nfs/dbraw/zinc/56/49/25/433564925.db2.gz WEUAZDXZNDCHGY-UHFFFAOYSA-N 2 2 317.396 3.500 20 0 DGADLP COCCc1cc[nH+]c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000351547245 433565036 /nfs/dbraw/zinc/56/50/36/433565036.db2.gz WJMKWVXMJNUEKD-UHFFFAOYSA-N 2 2 308.385 3.068 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414368880 433576745 /nfs/dbraw/zinc/57/67/45/433576745.db2.gz SZEQMWBCOHBPCZ-APWZRJJASA-N 2 2 324.472 3.039 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414368880 433576751 /nfs/dbraw/zinc/57/67/51/433576751.db2.gz SZEQMWBCOHBPCZ-APWZRJJASA-N 2 2 324.472 3.039 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433016 433579749 /nfs/dbraw/zinc/57/97/49/433579749.db2.gz HKHMLLURTSEZJX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433016 433579760 /nfs/dbraw/zinc/57/97/60/433579760.db2.gz HKHMLLURTSEZJX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433016 433579766 /nfs/dbraw/zinc/57/97/66/433579766.db2.gz HKHMLLURTSEZJX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000339433016 433579777 /nfs/dbraw/zinc/57/97/77/433579777.db2.gz HKHMLLURTSEZJX-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432130 433580849 /nfs/dbraw/zinc/58/08/49/433580849.db2.gz CGVSJXUBEVFDRA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432130 433580859 /nfs/dbraw/zinc/58/08/59/433580859.db2.gz CGVSJXUBEVFDRA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339432130 433580870 /nfs/dbraw/zinc/58/08/70/433580870.db2.gz CGVSJXUBEVFDRA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339432130 433580875 /nfs/dbraw/zinc/58/08/75/433580875.db2.gz CGVSJXUBEVFDRA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280351 433584150 /nfs/dbraw/zinc/58/41/50/433584150.db2.gz HKGABYIOPXAOPO-CXAGYDPISA-N 2 2 311.385 3.010 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280351 433584156 /nfs/dbraw/zinc/58/41/56/433584156.db2.gz HKGABYIOPXAOPO-CXAGYDPISA-N 2 2 311.385 3.010 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000351579863 433593032 /nfs/dbraw/zinc/59/30/32/433593032.db2.gz KQYAMBWLQDYIHY-PBHICJAKSA-N 2 2 310.869 3.082 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000351579863 433593041 /nfs/dbraw/zinc/59/30/41/433593041.db2.gz KQYAMBWLQDYIHY-PBHICJAKSA-N 2 2 310.869 3.082 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326610 433545974 /nfs/dbraw/zinc/54/59/74/433545974.db2.gz ASSMSILLFBJMAL-VDHUWJSZSA-N 2 2 311.429 3.031 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326610 433545985 /nfs/dbraw/zinc/54/59/85/433545985.db2.gz ASSMSILLFBJMAL-VDHUWJSZSA-N 2 2 311.429 3.031 20 0 DGADLP OCC[NH+]1CCC(CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342218563 433548299 /nfs/dbraw/zinc/54/82/99/433548299.db2.gz GZTWIXNWCMSCAV-UHFFFAOYSA-N 2 2 319.836 3.004 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000339386364 433548306 /nfs/dbraw/zinc/54/83/06/433548306.db2.gz BMALMCSJDCCUFU-OAHLLOKOSA-N 2 2 311.389 3.027 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000375985547 433631880 /nfs/dbraw/zinc/63/18/80/433631880.db2.gz MZBJRSPBXPWZEL-OAFZBRQQSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000375985547 433631886 /nfs/dbraw/zinc/63/18/86/433631886.db2.gz MZBJRSPBXPWZEL-OAFZBRQQSA-N 2 2 302.462 3.195 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354380 433634354 /nfs/dbraw/zinc/63/43/54/433634354.db2.gz GZLUMOVXDCSUJD-AWEZNQCLSA-N 2 2 317.408 3.131 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354380 433634362 /nfs/dbraw/zinc/63/43/62/433634362.db2.gz GZLUMOVXDCSUJD-AWEZNQCLSA-N 2 2 317.408 3.131 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354380 433634371 /nfs/dbraw/zinc/63/43/71/433634371.db2.gz GZLUMOVXDCSUJD-AWEZNQCLSA-N 2 2 317.408 3.131 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354380 433634377 /nfs/dbraw/zinc/63/43/77/433634377.db2.gz GZLUMOVXDCSUJD-AWEZNQCLSA-N 2 2 317.408 3.131 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342356000 433635407 /nfs/dbraw/zinc/63/54/07/433635407.db2.gz KAZFYMVZODCFSS-WFASDCNBSA-N 2 2 305.397 3.129 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342356000 433635412 /nfs/dbraw/zinc/63/54/12/433635412.db2.gz KAZFYMVZODCFSS-WFASDCNBSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342356000 433635419 /nfs/dbraw/zinc/63/54/19/433635419.db2.gz KAZFYMVZODCFSS-WFASDCNBSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342356000 433635428 /nfs/dbraw/zinc/63/54/28/433635428.db2.gz KAZFYMVZODCFSS-WFASDCNBSA-N 2 2 305.397 3.129 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308621 433636613 /nfs/dbraw/zinc/63/66/13/433636613.db2.gz GIEHXTSZRWCBHS-BXXUTWAOSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308621 433636620 /nfs/dbraw/zinc/63/66/20/433636620.db2.gz GIEHXTSZRWCBHS-BXXUTWAOSA-N 2 2 313.489 3.462 20 0 DGADLP COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000301617350 433642547 /nfs/dbraw/zinc/64/25/47/433642547.db2.gz CLKMILMPIUREDL-MRXNPFEDSA-N 2 2 311.429 3.282 20 0 DGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591346 433603417 /nfs/dbraw/zinc/60/34/17/433603417.db2.gz DDHBUOJWWAYZHV-QFBILLFUSA-N 2 2 320.452 3.102 20 0 DGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591346 433603425 /nfs/dbraw/zinc/60/34/25/433603425.db2.gz DDHBUOJWWAYZHV-QFBILLFUSA-N 2 2 320.452 3.102 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCCCC2)n1 ZINC000375890398 433604241 /nfs/dbraw/zinc/60/42/41/433604241.db2.gz SGXSKLIWSFBLRB-BRWVUGGUSA-N 2 2 302.466 3.248 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCCC2)n1 ZINC000375890398 433604252 /nfs/dbraw/zinc/60/42/52/433604252.db2.gz SGXSKLIWSFBLRB-BRWVUGGUSA-N 2 2 302.466 3.248 20 0 DGADLP C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282431212 433607041 /nfs/dbraw/zinc/60/70/41/433607041.db2.gz DFTKHIGZGMLGHX-CQSZACIVSA-N 2 2 324.432 3.070 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351624692 433619129 /nfs/dbraw/zinc/61/91/29/433619129.db2.gz ZMQFHOSQZJWCDH-CRAIPNDOSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351624692 433619137 /nfs/dbraw/zinc/61/91/37/433619137.db2.gz ZMQFHOSQZJWCDH-CRAIPNDOSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351624694 433619363 /nfs/dbraw/zinc/61/93/63/433619363.db2.gz ZMQFHOSQZJWCDH-QAPCUYQASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351624694 433619373 /nfs/dbraw/zinc/61/93/73/433619373.db2.gz ZMQFHOSQZJWCDH-QAPCUYQASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(OC(F)F)cc1C ZINC000427112267 433657517 /nfs/dbraw/zinc/65/75/17/433657517.db2.gz AXGWMQLKJSXQPW-ZFWWWQNUSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(OC(F)F)cc1C ZINC000427112267 433657524 /nfs/dbraw/zinc/65/75/24/433657524.db2.gz AXGWMQLKJSXQPW-ZFWWWQNUSA-N 2 2 310.388 3.089 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccnn2C2CCCC2)CC1 ZINC000449010579 433662655 /nfs/dbraw/zinc/66/26/55/433662655.db2.gz SWHKXMYDAXIEIO-UHFFFAOYSA-N 2 2 304.482 3.303 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnn2C2CCCC2)CC1 ZINC000449010579 433662668 /nfs/dbraw/zinc/66/26/68/433662668.db2.gz SWHKXMYDAXIEIO-UHFFFAOYSA-N 2 2 304.482 3.303 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000301658294 433663509 /nfs/dbraw/zinc/66/35/09/433663509.db2.gz BQGVUIYQXVSQHG-OALUTQOASA-N 2 2 322.456 3.276 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000301658294 433663517 /nfs/dbraw/zinc/66/35/17/433663517.db2.gz BQGVUIYQXVSQHG-OALUTQOASA-N 2 2 322.456 3.276 20 0 DGADLP CO[C@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000283104870 433664322 /nfs/dbraw/zinc/66/43/22/433664322.db2.gz MAYHANLTJROQEE-MRXNPFEDSA-N 2 2 307.825 3.246 20 0 DGADLP CO[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000283104870 433664326 /nfs/dbraw/zinc/66/43/26/433664326.db2.gz MAYHANLTJROQEE-MRXNPFEDSA-N 2 2 307.825 3.246 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000283097060 433666320 /nfs/dbraw/zinc/66/63/20/433666320.db2.gz LOMPKRZTAYPINS-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000283097060 433666326 /nfs/dbraw/zinc/66/63/26/433666326.db2.gz LOMPKRZTAYPINS-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301694531 433682694 /nfs/dbraw/zinc/68/26/94/433682694.db2.gz ZYSITTJGJPJLJP-HZPDHXFCSA-N 2 2 320.481 3.210 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414517252 433684716 /nfs/dbraw/zinc/68/47/16/433684716.db2.gz QJNSZFGDKNGFJS-QKMNUUQDSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000414517252 433684723 /nfs/dbraw/zinc/68/47/23/433684723.db2.gz QJNSZFGDKNGFJS-QKMNUUQDSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414517251 433685060 /nfs/dbraw/zinc/68/50/60/433685060.db2.gz QJNSZFGDKNGFJS-ORZNMBHWSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414517251 433685068 /nfs/dbraw/zinc/68/50/68/433685068.db2.gz QJNSZFGDKNGFJS-ORZNMBHWSA-N 2 2 316.489 3.300 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000449032650 433691216 /nfs/dbraw/zinc/69/12/16/433691216.db2.gz XQNBZVOGGRXOFO-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000449032650 433691225 /nfs/dbraw/zinc/69/12/25/433691225.db2.gz XQNBZVOGGRXOFO-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000376046760 433649551 /nfs/dbraw/zinc/64/95/51/433649551.db2.gz RGCBIKKRARXJQQ-RYQLBKOJSA-N 2 2 322.880 3.332 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000376046760 433649560 /nfs/dbraw/zinc/64/95/60/433649560.db2.gz RGCBIKKRARXJQQ-RYQLBKOJSA-N 2 2 322.880 3.332 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000376046758 433649967 /nfs/dbraw/zinc/64/99/67/433649967.db2.gz RGCBIKKRARXJQQ-CGTJXYLNSA-N 2 2 322.880 3.332 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000376046758 433649974 /nfs/dbraw/zinc/64/99/74/433649974.db2.gz RGCBIKKRARXJQQ-CGTJXYLNSA-N 2 2 322.880 3.332 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427100554 433651299 /nfs/dbraw/zinc/65/12/99/433651299.db2.gz LMJWVBSOCXGIMC-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427100554 433651308 /nfs/dbraw/zinc/65/13/08/433651308.db2.gz LMJWVBSOCXGIMC-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1cccc2[nH+]cc(CNc3ccc(C[NH+](C)C)cc3F)n21 ZINC000414482758 433651313 /nfs/dbraw/zinc/65/13/13/433651313.db2.gz DTJOWJBMWBLCSR-UHFFFAOYSA-N 2 2 312.392 3.456 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000376046750 433651808 /nfs/dbraw/zinc/65/18/08/433651808.db2.gz RGCBIKKRARXJQQ-BPQIPLTHSA-N 2 2 322.880 3.332 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000376046750 433651816 /nfs/dbraw/zinc/65/18/16/433651816.db2.gz RGCBIKKRARXJQQ-BPQIPLTHSA-N 2 2 322.880 3.332 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)[nH+]c1C ZINC000367060753 293018205 /nfs/dbraw/zinc/01/82/05/293018205.db2.gz RJWYPXZJZBZFIN-INIZCTEOSA-N 2 2 324.428 3.022 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000367084341 293023029 /nfs/dbraw/zinc/02/30/29/293023029.db2.gz AICVHYGSHPLOSJ-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000367084341 293023033 /nfs/dbraw/zinc/02/30/33/293023033.db2.gz AICVHYGSHPLOSJ-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC12CCOCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000367090802 293024659 /nfs/dbraw/zinc/02/46/59/293024659.db2.gz CTDDFQUWPSOYLM-RYQLBKOJSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000367182577 293034890 /nfs/dbraw/zinc/03/48/90/293034890.db2.gz BVDQMNZFSCIXCD-UHFFFAOYSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000367182577 293034893 /nfs/dbraw/zinc/03/48/93/293034893.db2.gz BVDQMNZFSCIXCD-UHFFFAOYSA-N 2 2 322.456 3.278 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000367327852 293055525 /nfs/dbraw/zinc/05/55/25/293055525.db2.gz UUCOULGQHKUOSO-FQEVSTJZSA-N 2 2 310.441 3.136 20 0 DGADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000367402693 293067956 /nfs/dbraw/zinc/06/79/56/293067956.db2.gz SVMORWBVBOGERP-IFXJQAMLSA-N 2 2 305.381 3.484 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccnn1-c1ccccc1 ZINC000367439558 293072283 /nfs/dbraw/zinc/07/22/83/293072283.db2.gz VMKUREICEFJPJZ-OAHLLOKOSA-N 2 2 321.428 3.256 20 0 DGADLP Cc1c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cnn1C(C)(C)C ZINC000367439107 293072524 /nfs/dbraw/zinc/07/25/24/293072524.db2.gz RMZFBYXTILNSCW-ZDUSSCGKSA-N 2 2 315.465 3.330 20 0 DGADLP C[C@@H](CCc1ccccc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439734 293073333 /nfs/dbraw/zinc/07/33/33/293073333.db2.gz WPXAMOOCZFRWEZ-AWEZNQCLSA-N 2 2 301.409 3.469 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367683646 293090831 /nfs/dbraw/zinc/09/08/31/293090831.db2.gz JCFMZVWNNZBMCB-MSOLQXFVSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367683646 293090835 /nfs/dbraw/zinc/09/08/35/293090835.db2.gz JCFMZVWNNZBMCB-MSOLQXFVSA-N 2 2 302.462 3.461 20 0 DGADLP CC(C)c1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC000368299780 293113503 /nfs/dbraw/zinc/11/35/03/293113503.db2.gz RZIBSHCKTNMHIU-GOSISDBHSA-N 2 2 302.466 3.255 20 0 DGADLP CC(C)c1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC000368299780 293113506 /nfs/dbraw/zinc/11/35/06/293113506.db2.gz RZIBSHCKTNMHIU-GOSISDBHSA-N 2 2 302.466 3.255 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000368490724 293126514 /nfs/dbraw/zinc/12/65/14/293126514.db2.gz POHIVVYLFZMMPY-UHFFFAOYSA-N 2 2 311.429 3.230 20 0 DGADLP CC(=O)Nc1cccc2c1CC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000368569283 293131385 /nfs/dbraw/zinc/13/13/85/293131385.db2.gz VHRNNHFVXWOMOF-UHFFFAOYSA-N 2 2 323.440 3.339 20 0 DGADLP CC(=O)Nc1cccc2c1CC[N@@H+](CCCc1c[nH+]ccc1C)C2 ZINC000368569283 293131388 /nfs/dbraw/zinc/13/13/88/293131388.db2.gz VHRNNHFVXWOMOF-UHFFFAOYSA-N 2 2 323.440 3.339 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)oc1C ZINC000369898691 293144787 /nfs/dbraw/zinc/14/47/87/293144787.db2.gz AOXTVHMZSJPPGX-HNNXBMFYSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)oc1C ZINC000369898691 293144788 /nfs/dbraw/zinc/14/47/88/293144788.db2.gz AOXTVHMZSJPPGX-HNNXBMFYSA-N 2 2 300.406 3.071 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000370165022 293160108 /nfs/dbraw/zinc/16/01/08/293160108.db2.gz ZBWNSOSWTSFHMR-ZFWWWQNUSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000370165022 293160109 /nfs/dbraw/zinc/16/01/09/293160109.db2.gz ZBWNSOSWTSFHMR-ZFWWWQNUSA-N 2 2 323.400 3.400 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000362399983 433698816 /nfs/dbraw/zinc/69/88/16/433698816.db2.gz DGHQHPFJAIPMGJ-HNNXBMFYSA-N 2 2 306.475 3.127 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000362399983 433698833 /nfs/dbraw/zinc/69/88/33/433698833.db2.gz DGHQHPFJAIPMGJ-HNNXBMFYSA-N 2 2 306.475 3.127 20 0 DGADLP Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678414 293226376 /nfs/dbraw/zinc/22/63/76/293226376.db2.gz INQZUHYOAFDUMS-RDTXWAMCSA-N 2 2 316.493 3.493 20 0 DGADLP Cc1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c(C)[nH+]1 ZINC000301678414 293226380 /nfs/dbraw/zinc/22/63/80/293226380.db2.gz INQZUHYOAFDUMS-RDTXWAMCSA-N 2 2 316.493 3.493 20 0 DGADLP Cc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000362434100 433710189 /nfs/dbraw/zinc/71/01/89/433710189.db2.gz JLLNZYVQWKQFNO-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000362434100 433710198 /nfs/dbraw/zinc/71/01/98/433710198.db2.gz JLLNZYVQWKQFNO-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000362434100 433710209 /nfs/dbraw/zinc/71/02/09/433710209.db2.gz JLLNZYVQWKQFNO-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000362434100 433710213 /nfs/dbraw/zinc/71/02/13/433710213.db2.gz JLLNZYVQWKQFNO-LJQANCHMSA-N 2 2 309.457 3.344 20 0 DGADLP COC[C@]1(C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CCC[NH2+]1 ZINC000423431267 293295860 /nfs/dbraw/zinc/29/58/60/293295860.db2.gz QHSFHJVARPDIDZ-CORIIIEPSA-N 2 2 312.504 3.032 20 0 DGADLP c1c(CC[NH2+][C@@H](c2cccnc2)C2CCC2)[nH+]c2n1CCCC2 ZINC000373611754 293297331 /nfs/dbraw/zinc/29/73/31/293297331.db2.gz PSRDCOJPBJCKPR-LJQANCHMSA-N 2 2 310.445 3.288 20 0 DGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000374316148 293383483 /nfs/dbraw/zinc/38/34/83/293383483.db2.gz NVFADRPFFQHSPV-RBUKOAKNSA-N 2 2 314.473 3.372 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC13CCOCC3)CCC2 ZINC000374388051 293393803 /nfs/dbraw/zinc/39/38/03/293393803.db2.gz KGMODDSRWOQBFY-HOTGVXAUSA-N 2 2 303.450 3.008 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421798518 433737218 /nfs/dbraw/zinc/73/72/18/433737218.db2.gz BARBMHLAYGAZBN-UXHICEINSA-N 2 2 323.484 3.092 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000414610295 433742988 /nfs/dbraw/zinc/74/29/88/433742988.db2.gz ARQDGFVLWDMAFB-UKRRQHHQSA-N 2 2 302.422 3.309 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000414610295 433742998 /nfs/dbraw/zinc/74/29/98/433742998.db2.gz ARQDGFVLWDMAFB-UKRRQHHQSA-N 2 2 302.422 3.309 20 0 DGADLP CC[NH+](CC)[C@H](CNc1[nH+]c2ccccc2n1C)c1ccco1 ZINC000342703269 433748137 /nfs/dbraw/zinc/74/81/37/433748137.db2.gz HQUZHCNLJGAOIG-MRXNPFEDSA-N 2 2 312.417 3.661 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421822761 433750862 /nfs/dbraw/zinc/75/08/62/433750862.db2.gz BHQJLPMIEAYUEW-IBGZPJMESA-N 2 2 309.457 3.051 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421822761 433750873 /nfs/dbraw/zinc/75/08/73/433750873.db2.gz BHQJLPMIEAYUEW-IBGZPJMESA-N 2 2 309.457 3.051 20 0 DGADLP CC(C)OC1CC([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000428081243 433751054 /nfs/dbraw/zinc/75/10/54/433751054.db2.gz TYPMFDVBFCGCJG-UHFFFAOYSA-N 2 2 316.489 3.369 20 0 DGADLP CC(C)OC1CC([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000428081243 433751068 /nfs/dbraw/zinc/75/10/68/433751068.db2.gz TYPMFDVBFCGCJG-UHFFFAOYSA-N 2 2 316.489 3.369 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCc3cccnc3CC2)c[nH+]1 ZINC000421827415 433753643 /nfs/dbraw/zinc/75/36/43/433753643.db2.gz XOFDUFRFVUZCEA-SFHVURJKSA-N 2 2 318.424 3.305 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)c1 ZINC000449616432 433755519 /nfs/dbraw/zinc/75/55/19/433755519.db2.gz CWLQCNZNKBSKJZ-MWQQHZPXSA-N 2 2 300.446 3.156 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)c1 ZINC000449616432 433755530 /nfs/dbraw/zinc/75/55/30/433755530.db2.gz CWLQCNZNKBSKJZ-MWQQHZPXSA-N 2 2 300.446 3.156 20 0 DGADLP CO[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000283652593 433757409 /nfs/dbraw/zinc/75/74/09/433757409.db2.gz DBEOHMFKXPMWNV-IBGZPJMESA-N 2 2 302.462 3.324 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421838074 433763439 /nfs/dbraw/zinc/76/34/39/433763439.db2.gz URLCLTHOUUFILQ-XAYKYTGQSA-N 2 2 306.425 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421838074 433763449 /nfs/dbraw/zinc/76/34/49/433763449.db2.gz URLCLTHOUUFILQ-XAYKYTGQSA-N 2 2 306.425 3.358 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449757040 433765766 /nfs/dbraw/zinc/76/57/66/433765766.db2.gz QWUKLSCQEUNAIQ-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449757040 433765778 /nfs/dbraw/zinc/76/57/78/433765778.db2.gz QWUKLSCQEUNAIQ-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878029 433766408 /nfs/dbraw/zinc/76/64/08/433766408.db2.gz QXMNJBXEUCEEGO-QZTJIDSGSA-N 2 2 301.478 3.072 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356838648 433723253 /nfs/dbraw/zinc/72/32/53/433723253.db2.gz DSKPXQVJPSXONG-GDBMZVCRSA-N 2 2 301.434 3.140 20 0 DGADLP COc1cccc2c(N3CCC[C@@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000302493534 433823826 /nfs/dbraw/zinc/82/38/26/433823826.db2.gz ZVXXHTTVEGDOBT-OAHLLOKOSA-N 2 2 311.429 3.308 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421854536 433773715 /nfs/dbraw/zinc/77/37/15/433773715.db2.gz LQNZYTDZSDONPX-FUHWJXTLSA-N 2 2 301.478 3.039 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421854536 433773724 /nfs/dbraw/zinc/77/37/24/433773724.db2.gz LQNZYTDZSDONPX-FUHWJXTLSA-N 2 2 301.478 3.039 20 0 DGADLP CCc1nc([C@@H]2CCCC[N@@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000376582878 433780555 /nfs/dbraw/zinc/78/05/55/433780555.db2.gz VWMLKSZECANMQH-HNNXBMFYSA-N 2 2 317.437 3.144 20 0 DGADLP CCc1nc([C@@H]2CCCC[N@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000376582878 433780565 /nfs/dbraw/zinc/78/05/65/433780565.db2.gz VWMLKSZECANMQH-HNNXBMFYSA-N 2 2 317.437 3.144 20 0 DGADLP CC1=CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000283839094 433786410 /nfs/dbraw/zinc/78/64/10/433786410.db2.gz AVJBHNWEHZYAJJ-IBGZPJMESA-N 2 2 300.446 3.107 20 0 DGADLP CCC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000414679731 433789082 /nfs/dbraw/zinc/78/90/82/433789082.db2.gz XCZQAWWFDWVSAP-GOEBONIOSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000414679731 433789086 /nfs/dbraw/zinc/78/90/86/433789086.db2.gz XCZQAWWFDWVSAP-GOEBONIOSA-N 2 2 308.441 3.087 20 0 DGADLP Cc1cccnc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449788875 433802699 /nfs/dbraw/zinc/80/26/99/433802699.db2.gz YPCYJZMYSDBLLA-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1cccnc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449788875 433802708 /nfs/dbraw/zinc/80/27/08/433802708.db2.gz YPCYJZMYSDBLLA-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc(C)[nH+]1 ZINC000421919403 433805712 /nfs/dbraw/zinc/80/57/12/433805712.db2.gz MLCUFYNRUXFJHE-GOSISDBHSA-N 2 2 315.461 3.112 20 0 DGADLP Cc1cc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc(C)[nH+]1 ZINC000421919403 433805722 /nfs/dbraw/zinc/80/57/22/433805722.db2.gz MLCUFYNRUXFJHE-GOSISDBHSA-N 2 2 315.461 3.112 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721950 433808879 /nfs/dbraw/zinc/80/88/79/433808879.db2.gz JXHORCLEKSIJDW-DLBZAZTESA-N 3 2 321.534 3.066 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721950 433808889 /nfs/dbraw/zinc/80/88/89/433808889.db2.gz JXHORCLEKSIJDW-DLBZAZTESA-N 3 2 321.534 3.066 20 0 DGADLP CCc1cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302082095 433810455 /nfs/dbraw/zinc/81/04/55/433810455.db2.gz JKEFSQJPZUYSPZ-INIZCTEOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302082095 433810461 /nfs/dbraw/zinc/81/04/61/433810461.db2.gz JKEFSQJPZUYSPZ-INIZCTEOSA-N 2 2 324.472 3.448 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000284004561 433816340 /nfs/dbraw/zinc/81/63/40/433816340.db2.gz PLWDOJJVWMSEKO-VQIMIIECSA-N 2 2 312.461 3.074 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000284004561 433816351 /nfs/dbraw/zinc/81/63/51/433816351.db2.gz PLWDOJJVWMSEKO-VQIMIIECSA-N 2 2 312.461 3.074 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000351959391 433818174 /nfs/dbraw/zinc/81/81/74/433818174.db2.gz RDOOAPXUNGTQLX-INIZCTEOSA-N 2 2 310.507 3.129 20 0 DGADLP C[N@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1CC([NH3+])C1 ZINC000414780384 433831514 /nfs/dbraw/zinc/83/15/14/433831514.db2.gz TWEYYOBRJCBVNT-UHFFFAOYSA-N 2 2 312.461 3.091 20 0 DGADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1CC([NH3+])C1 ZINC000414780384 433831523 /nfs/dbraw/zinc/83/15/23/433831523.db2.gz TWEYYOBRJCBVNT-UHFFFAOYSA-N 2 2 312.461 3.091 20 0 DGADLP COc1ccc2nc(C[NH2+]CC3([NH3+])CCCCC3)sc2c1 ZINC000414841133 433877471 /nfs/dbraw/zinc/87/74/71/433877471.db2.gz LAIZBLHFUNDEMO-UHFFFAOYSA-N 2 2 305.447 3.056 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)no1 ZINC000284135524 433841052 /nfs/dbraw/zinc/84/10/52/433841052.db2.gz OLVDAKYPTWDAHW-GFCCVEGCSA-N 2 2 314.364 3.467 20 0 DGADLP COc1cc(C[NH2+]CC[NH2+]C2CCCCCC2)cc(OC)c1 ZINC000414802126 433843271 /nfs/dbraw/zinc/84/32/71/433843271.db2.gz HVSVRCPQINZCBM-UHFFFAOYSA-N 2 2 306.450 3.106 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCCC4(CC4)C3)CC2)cc1 ZINC000351992160 433843290 /nfs/dbraw/zinc/84/32/90/433843290.db2.gz AYTYPPAQSBFBEX-UHFFFAOYSA-N 2 2 313.489 3.075 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCCC4(CC4)C3)CC2)cc1 ZINC000351992160 433843298 /nfs/dbraw/zinc/84/32/98/433843298.db2.gz AYTYPPAQSBFBEX-UHFFFAOYSA-N 2 2 313.489 3.075 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000414808645 433848087 /nfs/dbraw/zinc/84/80/87/433848087.db2.gz FOMLUGBWJVEBKD-SFHVURJKSA-N 2 2 313.445 3.364 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C[C@H]1OC ZINC000344118075 433848882 /nfs/dbraw/zinc/84/88/82/433848882.db2.gz YJPHIYIENJAGKP-ARFHVFGLSA-N 2 2 305.466 3.252 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414804086 433848925 /nfs/dbraw/zinc/84/89/25/433848925.db2.gz KNEFUODOCWYXIM-IBGZPJMESA-N 2 2 310.441 3.498 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000414807291 433849983 /nfs/dbraw/zinc/84/99/83/433849983.db2.gz CMRGATQVNYTIIR-LBPRGKRZSA-N 2 2 303.219 3.195 20 0 DGADLP CCCOc1ccc(Br)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414810924 433853602 /nfs/dbraw/zinc/85/36/02/433853602.db2.gz YJOCHEIIOKSFMW-UHFFFAOYSA-N 2 2 315.255 3.065 20 0 DGADLP CCCn1c(C[NH2+]C[C@H]([NH3+])c2ccccc2)nc2ccccc21 ZINC000414824857 433861912 /nfs/dbraw/zinc/86/19/12/433861912.db2.gz BHNQBQPOLFKURA-INIZCTEOSA-N 2 2 308.429 3.236 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414832068 433867792 /nfs/dbraw/zinc/86/77/92/433867792.db2.gz DELMPBKBGMVOEG-HNNXBMFYSA-N 2 2 320.868 3.224 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000414833188 433868119 /nfs/dbraw/zinc/86/81/19/433868119.db2.gz PJMHSVADBUEZGF-INIZCTEOSA-N 2 2 324.346 3.417 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414832069 433869620 /nfs/dbraw/zinc/86/96/20/433869620.db2.gz DELMPBKBGMVOEG-OAHLLOKOSA-N 2 2 320.868 3.224 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000284263535 433872168 /nfs/dbraw/zinc/87/21/68/433872168.db2.gz JBEYVPBARUGNBA-MDZLAQPJSA-N 2 2 309.841 3.019 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000284263535 433872174 /nfs/dbraw/zinc/87/21/74/433872174.db2.gz JBEYVPBARUGNBA-MDZLAQPJSA-N 2 2 309.841 3.019 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000436308450 433935107 /nfs/dbraw/zinc/93/51/07/433935107.db2.gz MQGOOTUYQANQBR-OQIJWPOYSA-N 2 2 308.510 3.433 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000436308450 433935117 /nfs/dbraw/zinc/93/51/17/433935117.db2.gz MQGOOTUYQANQBR-OQIJWPOYSA-N 2 2 308.510 3.433 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000414876658 433901320 /nfs/dbraw/zinc/90/13/20/433901320.db2.gz DSDCLHRDXTZFKZ-OALUTQOASA-N 2 2 314.404 3.070 20 0 DGADLP Fc1ccc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)[nH]c2c1 ZINC000362912023 433903526 /nfs/dbraw/zinc/90/35/26/433903526.db2.gz DVTLHEIRZXTSNQ-UHFFFAOYSA-N 2 2 324.403 3.461 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]Cc1ccc2ncccc2c1 ZINC000414955749 433935684 /nfs/dbraw/zinc/93/56/84/433935684.db2.gz NIKSNCZILREJNY-HXUWFJFHSA-N 2 2 303.409 3.211 20 0 DGADLP Clc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c2ncccc12 ZINC000422561234 433918873 /nfs/dbraw/zinc/91/88/73/433918873.db2.gz JZEBADRFMUBIIB-UHFFFAOYSA-N 2 2 301.821 3.216 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCCc3[nH+]ccn32)[nH+]1 ZINC000362944244 433921244 /nfs/dbraw/zinc/92/12/44/433921244.db2.gz MMJFXEZKWJBEIS-HNNXBMFYSA-N 2 2 321.384 3.098 20 0 DGADLP C[NH+]1CCC([NH+]2CCC([NH2+]CCC3CCCCCC3)CC2)CC1 ZINC000377650075 293689805 /nfs/dbraw/zinc/68/98/05/293689805.db2.gz NIBHUCQOFJPOGO-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414932254 433922741 /nfs/dbraw/zinc/92/27/41/433922741.db2.gz QVXCASQSFCHHCS-BEFAXECRSA-N 2 2 320.440 3.113 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936610 433923670 /nfs/dbraw/zinc/92/36/70/433923670.db2.gz GWUFULPNJXUEDG-MOPGFXCFSA-N 2 2 300.446 3.490 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414936136 433925485 /nfs/dbraw/zinc/92/54/85/433925485.db2.gz ZAEOKWBEIGAPOI-KGLIPLIRSA-N 2 2 317.458 3.082 20 0 DGADLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)c1ccsc1 ZINC000303268260 433930385 /nfs/dbraw/zinc/93/03/85/433930385.db2.gz YQUDCMFTASXPKK-INIZCTEOSA-N 2 2 322.522 3.387 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414944594 433932381 /nfs/dbraw/zinc/93/23/81/433932381.db2.gz HCDADGSUQYMBKV-WCBMZHEXSA-N 2 2 303.269 3.049 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422696983 433933648 /nfs/dbraw/zinc/93/36/48/433933648.db2.gz SUCPHCCNEQDZMW-HNNXBMFYSA-N 3 2 312.461 3.187 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[NH2+]1 ZINC000414951674 433934415 /nfs/dbraw/zinc/93/44/15/433934415.db2.gz PXVPAXUKIVCETG-ZIAGYGMSSA-N 2 2 307.869 3.170 20 0 DGADLP CCOc1c(Cl)cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000414856396 433886156 /nfs/dbraw/zinc/88/61/56/433886156.db2.gz YVWIVFVHVDXJTM-ZDUSSCGKSA-N 2 2 314.857 3.210 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)[C@H]1CCC[NH2+]C1 ZINC000414862297 433890978 /nfs/dbraw/zinc/89/09/78/433890978.db2.gz XEIJFCGMLWSCCE-NEPJUHHUSA-N 2 2 307.488 3.349 20 0 DGADLP Fc1ccc(COc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414861456 433891277 /nfs/dbraw/zinc/89/12/77/433891277.db2.gz FORCFIWLRDHYSN-GOSISDBHSA-N 2 2 314.404 3.246 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000422706498 433941787 /nfs/dbraw/zinc/94/17/87/433941787.db2.gz UMAUZXNSIRAEKL-DLBZAZTESA-N 2 2 310.397 3.082 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)nc2c1 ZINC000422712602 433944193 /nfs/dbraw/zinc/94/41/93/433944193.db2.gz IPAAJOFRDQMOQT-CVEARBPZSA-N 2 2 300.450 3.043 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422719125 433951211 /nfs/dbraw/zinc/95/12/11/433951211.db2.gz QTGGHALQNFYFIG-JJRVBVJISA-N 2 2 308.491 3.216 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422725607 433951491 /nfs/dbraw/zinc/95/14/91/433951491.db2.gz BZJSTZYONBBPBZ-CGTJXYLNSA-N 3 2 303.494 3.223 20 0 DGADLP CC[C@H](C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1)[NH+]1CCCC1 ZINC000340172239 433952335 /nfs/dbraw/zinc/95/23/35/433952335.db2.gz GNAMHKRUAASEIC-QZTJIDSGSA-N 2 2 318.461 3.388 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340173351 433956550 /nfs/dbraw/zinc/95/65/50/433956550.db2.gz GISRZIBWINQSLY-MOPGFXCFSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340173351 433956555 /nfs/dbraw/zinc/95/65/55/433956555.db2.gz GISRZIBWINQSLY-MOPGFXCFSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340173351 433956567 /nfs/dbraw/zinc/95/65/67/433956567.db2.gz GISRZIBWINQSLY-MOPGFXCFSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340173351 433956571 /nfs/dbraw/zinc/95/65/71/433956571.db2.gz GISRZIBWINQSLY-MOPGFXCFSA-N 3 2 303.494 3.142 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422736834 433963415 /nfs/dbraw/zinc/96/34/15/433963415.db2.gz HAAPJGOMUHUWKC-UKRRQHHQSA-N 2 2 317.502 3.489 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740199 433964991 /nfs/dbraw/zinc/96/49/91/433964991.db2.gz BAAZSOZKHLOMOF-YVWKXTFCSA-N 2 2 309.457 3.404 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340186929 433969612 /nfs/dbraw/zinc/96/96/12/433969612.db2.gz YQBNEDGNTWLQPT-UXHICEINSA-N 3 2 315.505 3.286 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340186929 433969620 /nfs/dbraw/zinc/96/96/20/433969620.db2.gz YQBNEDGNTWLQPT-UXHICEINSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000422747526 433972440 /nfs/dbraw/zinc/97/24/40/433972440.db2.gz QHMYIPMZELSFNZ-AEFFLSMTSA-N 3 2 312.461 3.273 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422758177 433976070 /nfs/dbraw/zinc/97/60/70/433976070.db2.gz NQDABKHAYMPLBZ-DZKIICNBSA-N 2 2 306.450 3.275 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)COc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422764779 433981542 /nfs/dbraw/zinc/98/15/42/433981542.db2.gz QHNBZJWLSXKPJT-SCRDCRAPSA-N 2 2 316.367 3.203 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000422761112 433983761 /nfs/dbraw/zinc/98/37/61/433983761.db2.gz MNUIKSGWIKYDTF-UTUOFQBUSA-N 2 2 317.260 3.411 20 0 DGADLP CC(C)c1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000304134081 433984081 /nfs/dbraw/zinc/98/40/81/433984081.db2.gz CLBHFUYMGDOCNM-UHFFFAOYSA-N 2 2 304.478 3.089 20 0 DGADLP CC(C)c1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000304134081 433984092 /nfs/dbraw/zinc/98/40/92/433984092.db2.gz CLBHFUYMGDOCNM-UHFFFAOYSA-N 2 2 304.478 3.089 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422766192 433984628 /nfs/dbraw/zinc/98/46/28/433984628.db2.gz QXOKLEQGDMLTGP-ZIAGYGMSSA-N 2 2 315.230 3.338 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422772335 433989415 /nfs/dbraw/zinc/98/94/15/433989415.db2.gz WXSUJKSUSKWQCX-SJORKVTESA-N 2 2 312.461 3.273 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414950954 433936716 /nfs/dbraw/zinc/93/67/16/433936716.db2.gz PGHKBXFVDJDDAO-QAPCUYQASA-N 2 2 320.358 3.339 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[NH2+]1 ZINC000414951005 433936855 /nfs/dbraw/zinc/93/68/55/433936855.db2.gz PKFHLESWKFIENN-SKDRFNHKSA-N 2 2 304.768 3.172 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422639635 433936934 /nfs/dbraw/zinc/93/69/34/433936934.db2.gz TZNWFDCWLQHTDI-MJBXVCDLSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422639635 433936944 /nfs/dbraw/zinc/93/69/44/433936944.db2.gz TZNWFDCWLQHTDI-MJBXVCDLSA-N 2 2 318.440 3.001 20 0 DGADLP CCCOc1c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cccc1OCC ZINC000414962482 433937894 /nfs/dbraw/zinc/93/78/94/433937894.db2.gz WQHHQYRUWBZZIH-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705645 433938656 /nfs/dbraw/zinc/93/86/56/433938656.db2.gz CNVDCUXGUWHCKA-PXNSSMCTSA-N 3 2 315.505 3.150 20 0 DGADLP CCCC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(OC)cc1 ZINC000422701431 433938981 /nfs/dbraw/zinc/93/89/81/433938981.db2.gz BXYJIRPYLGFAFM-SUMDDJOVSA-N 2 2 320.477 3.283 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422700785 433940520 /nfs/dbraw/zinc/94/05/20/433940520.db2.gz ARPRYNXSIXALLU-KBXCAEBGSA-N 2 2 314.404 3.417 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCOCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422789269 434003797 /nfs/dbraw/zinc/00/37/97/434003797.db2.gz RYOIWPVEKHSGCU-RBUKOAKNSA-N 2 2 320.477 3.141 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCOCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422789270 434004902 /nfs/dbraw/zinc/00/49/02/434004902.db2.gz RYOIWPVEKHSGCU-RTBURBONSA-N 2 2 320.477 3.141 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840444 434046299 /nfs/dbraw/zinc/04/62/99/434046299.db2.gz SYGXCIPQWXEEDU-JFIYKMOQSA-N 3 2 321.534 3.080 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000422791792 434005964 /nfs/dbraw/zinc/00/59/64/434005964.db2.gz DFHMLGJCBXWPLG-SJLPKXTDSA-N 2 2 304.478 3.101 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C[C@H]1c1ccccc1 ZINC000340253069 434015870 /nfs/dbraw/zinc/01/58/70/434015870.db2.gz MICLEAIXOWBLLR-QYZOEREBSA-N 3 2 324.472 3.186 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C[C@H]1c1ccccc1 ZINC000340253069 434015881 /nfs/dbraw/zinc/01/58/81/434015881.db2.gz MICLEAIXOWBLLR-QYZOEREBSA-N 3 2 324.472 3.186 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCC[N@@H+]1Cc1ccccc1 ZINC000340252038 434015934 /nfs/dbraw/zinc/01/59/34/434015934.db2.gz RWGIHQQUUWAFQG-MDNKFWRPSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCC[N@H+]1Cc1ccccc1 ZINC000340252038 434015950 /nfs/dbraw/zinc/01/59/50/434015950.db2.gz RWGIHQQUUWAFQG-MDNKFWRPSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422806874 434020180 /nfs/dbraw/zinc/02/01/80/434020180.db2.gz OCOQYROAYRMVIC-YLJYHZDGSA-N 3 2 315.505 3.149 20 0 DGADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422809016 434020241 /nfs/dbraw/zinc/02/02/41/434020241.db2.gz RCNZXRPLUUOOFX-PXNSSMCTSA-N 3 2 315.505 3.006 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422811489 434021527 /nfs/dbraw/zinc/02/15/27/434021527.db2.gz OZDAGDBCYIEMQE-KBPBESRZSA-N 2 2 315.230 3.208 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000340262025 434022036 /nfs/dbraw/zinc/02/20/36/434022036.db2.gz UQAOECIICWUCEQ-RBUKOAKNSA-N 3 2 324.472 3.309 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000340262025 434022047 /nfs/dbraw/zinc/02/20/47/434022047.db2.gz UQAOECIICWUCEQ-RBUKOAKNSA-N 3 2 324.472 3.309 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340272041 434027814 /nfs/dbraw/zinc/02/78/14/434027814.db2.gz HDSSTCYMKCEAHB-VQTJNVASSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340272041 434027819 /nfs/dbraw/zinc/02/78/19/434027819.db2.gz HDSSTCYMKCEAHB-VQTJNVASSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000305126778 434047001 /nfs/dbraw/zinc/04/70/01/434047001.db2.gz LMNHLDCCUXIPDP-IUODEOHRSA-N 2 2 322.449 3.127 20 0 DGADLP Fc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000422827218 434031102 /nfs/dbraw/zinc/03/11/02/434031102.db2.gz MTPONNIAUIFMRB-ROUUACIJSA-N 2 2 302.368 3.200 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422825578 434032227 /nfs/dbraw/zinc/03/22/27/434032227.db2.gz JSRMUPIRLASRIW-KNXALSJPSA-N 2 2 310.388 3.396 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000340282623 434035861 /nfs/dbraw/zinc/03/58/61/434035861.db2.gz BBCCIYZKXILFHJ-KURKYZTESA-N 2 2 304.482 3.029 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000340282623 434035866 /nfs/dbraw/zinc/03/58/66/434035866.db2.gz BBCCIYZKXILFHJ-KURKYZTESA-N 2 2 304.482 3.029 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422837796 434042779 /nfs/dbraw/zinc/04/27/79/434042779.db2.gz MVBSMSLTSFIIPS-RSPOEFSDSA-N 3 2 315.505 3.289 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000422837796 434042785 /nfs/dbraw/zinc/04/27/85/434042785.db2.gz MVBSMSLTSFIIPS-RSPOEFSDSA-N 3 2 315.505 3.289 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCOC2(C)C)[NH+]2CCCC2)cc1 ZINC000340219666 433995432 /nfs/dbraw/zinc/99/54/32/433995432.db2.gz XWOBBLIVRZEECL-QZTJIDSGSA-N 2 2 302.462 3.289 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422783476 433997116 /nfs/dbraw/zinc/99/71/16/433997116.db2.gz HOHWOQQGBYGUIZ-MOPGFXCFSA-N 3 2 303.494 3.149 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)C1CC1 ZINC000357408619 433997483 /nfs/dbraw/zinc/99/74/83/433997483.db2.gz GYTWYEGTQGMSQE-MRXNPFEDSA-N 2 2 315.461 3.224 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000357408619 433997491 /nfs/dbraw/zinc/99/74/91/433997491.db2.gz GYTWYEGTQGMSQE-MRXNPFEDSA-N 2 2 315.461 3.224 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840444 434046289 /nfs/dbraw/zinc/04/62/89/434046289.db2.gz SYGXCIPQWXEEDU-JFIYKMOQSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340235743 434002628 /nfs/dbraw/zinc/00/26/28/434002628.db2.gz LVTMQLHMRMSMKG-KCITZHQASA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340235743 434002635 /nfs/dbraw/zinc/00/26/35/434002635.db2.gz LVTMQLHMRMSMKG-KCITZHQASA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414964173 293897162 /nfs/dbraw/zinc/89/71/62/293897162.db2.gz YHGXKOIBGOLULS-SKDRFNHKSA-N 2 2 304.768 3.172 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414963655 293897203 /nfs/dbraw/zinc/89/72/03/293897203.db2.gz UKBDFYUAQQJVEM-OAHLLOKOSA-N 2 2 308.429 3.113 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867927 434065846 /nfs/dbraw/zinc/06/58/46/434065846.db2.gz UEARNZUMRKQZPA-CXAGYDPISA-N 2 2 318.490 3.289 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422880026 434076042 /nfs/dbraw/zinc/07/60/42/434076042.db2.gz LJWMIGWLXOPAKE-CYBMUJFWSA-N 2 2 312.417 3.084 20 0 DGADLP Cc1ccc(-c2nc(CC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)co2)cc1 ZINC000422879242 434076238 /nfs/dbraw/zinc/07/62/38/434076238.db2.gz LYFMYPWGQSOTIQ-CRAIPNDOSA-N 2 2 313.445 3.313 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422884622 434083742 /nfs/dbraw/zinc/08/37/42/434083742.db2.gz SGLQHYAOSRXNMN-WMLDXEAASA-N 2 2 303.450 3.045 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422886931 434087711 /nfs/dbraw/zinc/08/77/11/434087711.db2.gz AARFDGCELSZKGR-LZWOXQAQSA-N 2 2 306.450 3.275 20 0 DGADLP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422893234 434090773 /nfs/dbraw/zinc/09/07/73/434090773.db2.gz PNLLYMUIQZYPDD-RTBURBONSA-N 2 2 323.440 3.061 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372126 434092704 /nfs/dbraw/zinc/09/27/04/434092704.db2.gz MTYOKGRILNEXBV-OALUTQOASA-N 2 2 320.452 3.291 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372126 434092713 /nfs/dbraw/zinc/09/27/13/434092713.db2.gz MTYOKGRILNEXBV-OALUTQOASA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372126 434092722 /nfs/dbraw/zinc/09/27/22/434092722.db2.gz MTYOKGRILNEXBV-OALUTQOASA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372126 434092730 /nfs/dbraw/zinc/09/27/30/434092730.db2.gz MTYOKGRILNEXBV-OALUTQOASA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372120 434092789 /nfs/dbraw/zinc/09/27/89/434092789.db2.gz MTYOKGRILNEXBV-MOPGFXCFSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372120 434092794 /nfs/dbraw/zinc/09/27/94/434092794.db2.gz MTYOKGRILNEXBV-MOPGFXCFSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372120 434092801 /nfs/dbraw/zinc/09/28/01/434092801.db2.gz MTYOKGRILNEXBV-MOPGFXCFSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000340372120 434092810 /nfs/dbraw/zinc/09/28/10/434092810.db2.gz MTYOKGRILNEXBV-MOPGFXCFSA-N 2 2 320.452 3.291 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340384387 434096941 /nfs/dbraw/zinc/09/69/41/434096941.db2.gz OCANURPUTSQPJA-ILZDJORESA-N 2 2 324.472 3.223 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340384387 434096950 /nfs/dbraw/zinc/09/69/50/434096950.db2.gz OCANURPUTSQPJA-ILZDJORESA-N 2 2 324.472 3.223 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840443 434047646 /nfs/dbraw/zinc/04/76/46/434047646.db2.gz SYGXCIPQWXEEDU-BQFCYCMXSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840443 434047650 /nfs/dbraw/zinc/04/76/50/434047650.db2.gz SYGXCIPQWXEEDU-BQFCYCMXSA-N 3 2 321.534 3.080 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000422856591 434054321 /nfs/dbraw/zinc/05/43/21/434054321.db2.gz WZVJAUNQCFGBSE-MGPQQGTHSA-N 2 2 311.495 3.251 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858102 434055970 /nfs/dbraw/zinc/05/59/70/434055970.db2.gz IJPIRQJFLREKFZ-QFBILLFUSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858102 434055981 /nfs/dbraw/zinc/05/59/81/434055981.db2.gz IJPIRQJFLREKFZ-QFBILLFUSA-N 3 2 303.494 3.147 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309957035 434102158 /nfs/dbraw/zinc/10/21/58/434102158.db2.gz SXLHCLGWZMAYPB-FHWLQOOXSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309957035 434102166 /nfs/dbraw/zinc/10/21/66/434102166.db2.gz SXLHCLGWZMAYPB-FHWLQOOXSA-N 2 2 302.462 3.056 20 0 DGADLP c1cc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[nH+]cc1N1CCCCC1 ZINC000422919029 434107118 /nfs/dbraw/zinc/10/71/18/434107118.db2.gz IVNHRVMFQAQKFS-OKZBNKHCSA-N 2 2 314.477 3.405 20 0 DGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000378211163 434110718 /nfs/dbraw/zinc/11/07/18/434110718.db2.gz OOTOCFDKNOUUAT-BMIGLBTASA-N 2 2 300.406 3.005 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921263 434114495 /nfs/dbraw/zinc/11/44/95/434114495.db2.gz PKFRZPDORKOBCN-OLZOCXBDSA-N 2 2 302.340 3.177 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000422932104 434117041 /nfs/dbraw/zinc/11/70/41/434117041.db2.gz YUUWDDXZDDDXNN-QFBILLFUSA-N 2 2 314.404 3.417 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(C)C ZINC000340419821 434120322 /nfs/dbraw/zinc/12/03/22/434120322.db2.gz XHMKJENZDHIGLU-SJORKVTESA-N 2 2 318.461 3.199 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(C)C ZINC000340419821 434120331 /nfs/dbraw/zinc/12/03/31/434120331.db2.gz XHMKJENZDHIGLU-SJORKVTESA-N 2 2 318.461 3.199 20 0 DGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427898514 294113295 /nfs/dbraw/zinc/11/32/95/294113295.db2.gz TUGNCJZEGMJRHW-DOMZBBRYSA-N 2 2 317.820 3.355 20 0 DGADLP C[C@@H]([NH2+]C1(c2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422939524 434124395 /nfs/dbraw/zinc/12/43/95/434124395.db2.gz GANFJARJFIMYPQ-BXUZGUMPSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Br)s1)c1c[nH+]ccc1N ZINC000422938437 434124561 /nfs/dbraw/zinc/12/45/61/434124561.db2.gz KUXZHRXKQXIPIP-QMMMGPOBSA-N 2 2 312.236 3.169 20 0 DGADLP CCn1c[nH+]cc1CNc1[nH+]c2cc(Cl)c(Cl)cc2n1C ZINC000416428588 434126779 /nfs/dbraw/zinc/12/67/79/434126779.db2.gz RHPPZMHIXBBCPK-UHFFFAOYSA-N 2 2 324.215 3.709 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120514 294340002 /nfs/dbraw/zinc/34/00/02/294340002.db2.gz GFHNGOSWKCEBFR-AZUAARDMSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120514 294340006 /nfs/dbraw/zinc/34/00/06/294340006.db2.gz GFHNGOSWKCEBFR-AZUAARDMSA-N 2 2 315.505 3.319 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@H]4CCC[C@H]43)CC2)cc1 ZINC000509181819 294342338 /nfs/dbraw/zinc/34/23/38/294342338.db2.gz SIKIMRGTPGMQRI-UYAOXDASSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@H]4CCC[C@H]43)CC2)cc1 ZINC000509181819 294342342 /nfs/dbraw/zinc/34/23/42/294342342.db2.gz SIKIMRGTPGMQRI-UYAOXDASSA-N 2 2 313.489 3.073 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509293012 294345369 /nfs/dbraw/zinc/34/53/69/294345369.db2.gz FLEMNRJSIBAVCK-OALUTQOASA-N 2 2 315.505 3.177 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509280304 294345492 /nfs/dbraw/zinc/34/54/92/294345492.db2.gz TVKAATRTUCRMJH-LJQANCHMSA-N 2 2 315.505 3.463 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509280304 294345495 /nfs/dbraw/zinc/34/54/95/294345495.db2.gz TVKAATRTUCRMJH-LJQANCHMSA-N 2 2 315.505 3.463 20 0 DGADLP Cc1ccn2c(CN3CC[NH+](CCC(C)(C)C)CC3)c[nH+]c2c1 ZINC000510639754 294388937 /nfs/dbraw/zinc/38/89/37/294388937.db2.gz FNXXWRZDPYDHDY-UHFFFAOYSA-N 2 2 314.477 3.197 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422966042 434143638 /nfs/dbraw/zinc/14/36/38/434143638.db2.gz MQMJCZTUCAFSPH-GUDVDZBRSA-N 3 2 324.472 3.273 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CCCCC2)n1 ZINC000353455660 434145915 /nfs/dbraw/zinc/14/59/15/434145915.db2.gz RHPHSDSCNWDJHR-KRWDZBQOSA-N 2 2 304.482 3.497 20 0 DGADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccn1 ZINC000422973798 434147804 /nfs/dbraw/zinc/14/78/04/434147804.db2.gz CUMUNURAXAWVHS-INMHGKMJSA-N 2 2 305.466 3.125 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342290 434148220 /nfs/dbraw/zinc/14/82/20/434148220.db2.gz NYOCJNCSCYNKSA-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342290 434148229 /nfs/dbraw/zinc/14/82/29/434148229.db2.gz NYOCJNCSCYNKSA-BPQIPLTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422983876 434152383 /nfs/dbraw/zinc/15/23/83/434152383.db2.gz VNDVWXDGUBDELJ-MAUKXSAKSA-N 2 2 310.445 3.052 20 0 DGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000340474695 434153154 /nfs/dbraw/zinc/15/31/54/434153154.db2.gz METVRJNATRTCEP-PKOBYXMFSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340474695 434153161 /nfs/dbraw/zinc/15/31/61/434153161.db2.gz METVRJNATRTCEP-PKOBYXMFSA-N 2 2 314.477 3.018 20 0 DGADLP CCN(CC)c1ccc(N[C@@H](C)c2ccc(C[NH3+])nc2C)c[nH+]1 ZINC000422984171 434153872 /nfs/dbraw/zinc/15/38/72/434153872.db2.gz XGMJKSPPDCKRRX-AWEZNQCLSA-N 2 2 313.449 3.263 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC000450399420 434154703 /nfs/dbraw/zinc/15/47/03/434154703.db2.gz DBVRDPZDRHVELA-LBPRGKRZSA-N 2 2 301.261 3.419 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC000450399420 434154713 /nfs/dbraw/zinc/15/47/13/434154713.db2.gz DBVRDPZDRHVELA-LBPRGKRZSA-N 2 2 301.261 3.419 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000457415769 434155664 /nfs/dbraw/zinc/15/56/64/434155664.db2.gz JUBQCJBHRAWIDA-UHFFFAOYSA-N 2 2 324.428 3.075 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294968747 434156628 /nfs/dbraw/zinc/15/66/28/434156628.db2.gz NUKMRRDQAARSET-QRQLOZEOSA-N 2 2 313.445 3.024 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294968747 434156641 /nfs/dbraw/zinc/15/66/41/434156641.db2.gz NUKMRRDQAARSET-QRQLOZEOSA-N 2 2 313.445 3.024 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000340496054 434163809 /nfs/dbraw/zinc/16/38/09/434163809.db2.gz DWMKIIPPPSEMNY-YJBOKZPZSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000340496054 434163822 /nfs/dbraw/zinc/16/38/22/434163822.db2.gz DWMKIIPPPSEMNY-YJBOKZPZSA-N 2 2 300.446 3.376 20 0 DGADLP c1c[nH+]c([C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)[nH]1 ZINC000363862063 434166037 /nfs/dbraw/zinc/16/60/37/434166037.db2.gz GKWKFTWLVPGHIL-FUHWJXTLSA-N 2 2 310.445 3.106 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000340506229 434170980 /nfs/dbraw/zinc/17/09/80/434170980.db2.gz DNDCJLFRNRNQIE-LPHOPBHVSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000340506229 434170992 /nfs/dbraw/zinc/17/09/92/434170992.db2.gz DNDCJLFRNRNQIE-LPHOPBHVSA-N 2 2 300.446 3.376 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063825 434173117 /nfs/dbraw/zinc/17/31/17/434173117.db2.gz YZYHEMLXTYRSGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063825 434173126 /nfs/dbraw/zinc/17/31/26/434173126.db2.gz YZYHEMLXTYRSGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000295063825 434173137 /nfs/dbraw/zinc/17/31/37/434173137.db2.gz YZYHEMLXTYRSGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000295063825 434173147 /nfs/dbraw/zinc/17/31/47/434173147.db2.gz YZYHEMLXTYRSGM-AZUAARDMSA-N 2 2 312.457 3.338 20 0 DGADLP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000340517080 434175501 /nfs/dbraw/zinc/17/55/01/434175501.db2.gz CLKYTZGVOTZQCA-KRWDZBQOSA-N 2 2 301.478 3.462 20 0 DGADLP COc1ccc([C@@H]([NH2+]C2Cc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423040030 434182450 /nfs/dbraw/zinc/18/24/50/434182450.db2.gz SFSLZMWOVPCNON-LEWJYISDSA-N 2 2 322.452 3.245 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000423050942 434191236 /nfs/dbraw/zinc/19/12/36/434191236.db2.gz MMUMAVPTKOJCPK-ZHALLVOQSA-N 2 2 316.489 3.244 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423060144 434199001 /nfs/dbraw/zinc/19/90/01/434199001.db2.gz HGACDODFQKOAHD-GQOXECLESA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423060144 434199016 /nfs/dbraw/zinc/19/90/16/434199016.db2.gz HGACDODFQKOAHD-GQOXECLESA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423068763 434203989 /nfs/dbraw/zinc/20/39/89/434203989.db2.gz CNQZNEGMSPLFPF-OQIJWPOYSA-N 2 2 302.462 3.069 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCC1 ZINC000295108854 434205472 /nfs/dbraw/zinc/20/54/72/434205472.db2.gz VXJHWZWEMXPEQK-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423089517 434212750 /nfs/dbraw/zinc/21/27/50/434212750.db2.gz SLCMSVGLFKNAPY-BBRMVZONSA-N 2 2 315.392 3.101 20 0 DGADLP C[N@@H+]1CCCC12CCN(c1[nH+]cnc3[nH]c4ccccc4c31)CC2 ZINC000450419820 434166484 /nfs/dbraw/zinc/16/64/84/434166484.db2.gz PGEMZEWUXXPCDO-UHFFFAOYSA-N 2 2 321.428 3.176 20 0 DGADLP C[N@H+]1CCCC12CCN(c1[nH+]cnc3[nH]c4ccccc4c31)CC2 ZINC000450419820 434166490 /nfs/dbraw/zinc/16/64/90/434166490.db2.gz PGEMZEWUXXPCDO-UHFFFAOYSA-N 2 2 321.428 3.176 20 0 DGADLP COc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423012120 434167934 /nfs/dbraw/zinc/16/79/34/434167934.db2.gz CLZJBFUBAVVGGL-MJGOQNOKSA-N 2 2 314.404 3.417 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)c2ccccc21 ZINC000423134649 434240131 /nfs/dbraw/zinc/24/01/31/434240131.db2.gz XHVCJIWDIASUBV-FGTMMUONSA-N 2 2 316.832 3.498 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423146574 434249624 /nfs/dbraw/zinc/24/96/24/434249624.db2.gz PQRVPXYWNWPZFW-XJKSGUPXSA-N 3 2 318.852 3.003 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000295225813 434264007 /nfs/dbraw/zinc/26/40/07/434264007.db2.gz CGOYKTXPZGYRTI-AWEZNQCLSA-N 2 2 317.458 3.209 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000295225813 434264016 /nfs/dbraw/zinc/26/40/16/434264016.db2.gz CGOYKTXPZGYRTI-AWEZNQCLSA-N 2 2 317.458 3.209 20 0 DGADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423181266 434265899 /nfs/dbraw/zinc/26/58/99/434265899.db2.gz JMMHHYTVABVGRJ-ZETCQYMHSA-N 2 2 311.145 3.077 20 0 DGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)c1cccc(O)c1 ZINC000347652130 434268338 /nfs/dbraw/zinc/26/83/38/434268338.db2.gz QBCOSWGVRPXKKD-CYBMUJFWSA-N 2 2 319.474 3.493 20 0 DGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)c1cccc(O)c1 ZINC000347652130 434268345 /nfs/dbraw/zinc/26/83/45/434268345.db2.gz QBCOSWGVRPXKKD-CYBMUJFWSA-N 2 2 319.474 3.493 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187895 434272058 /nfs/dbraw/zinc/27/20/58/434272058.db2.gz YKWQTAVDNJATFR-PKOBYXMFSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187895 434272065 /nfs/dbraw/zinc/27/20/65/434272065.db2.gz YKWQTAVDNJATFR-PKOBYXMFSA-N 3 2 315.505 3.148 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353553588 434223787 /nfs/dbraw/zinc/22/37/87/434223787.db2.gz SKDZBZIVZQWESM-LJQANCHMSA-N 2 2 320.452 3.320 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353553588 434223794 /nfs/dbraw/zinc/22/37/94/434223794.db2.gz SKDZBZIVZQWESM-LJQANCHMSA-N 2 2 320.452 3.320 20 0 DGADLP CC[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423105496 434223841 /nfs/dbraw/zinc/22/38/41/434223841.db2.gz NOYDVEMQGGXOOX-SJORKVTESA-N 2 2 305.441 3.046 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423114437 434227262 /nfs/dbraw/zinc/22/72/62/434227262.db2.gz VRLYBAKANRLACN-BHDSKKPTSA-N 2 2 315.230 3.379 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000423116565 434227918 /nfs/dbraw/zinc/22/79/18/434227918.db2.gz QKVZDQRPHZHPCO-QWRGUYRKSA-N 2 2 303.269 3.260 20 0 DGADLP Clc1c[nH+]ccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000346243340 434228584 /nfs/dbraw/zinc/22/85/84/434228584.db2.gz HJWQRWKXZFEWPS-UHFFFAOYSA-N 2 2 307.850 3.161 20 0 DGADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000346243574 434233150 /nfs/dbraw/zinc/23/31/50/434233150.db2.gz TWEVBQNJZPFZJX-UHFFFAOYSA-N 2 2 312.457 3.066 20 0 DGADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000346243574 434233163 /nfs/dbraw/zinc/23/31/63/434233163.db2.gz TWEVBQNJZPFZJX-UHFFFAOYSA-N 2 2 312.457 3.066 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1c[nH+]ccc1N ZINC000423131246 434238003 /nfs/dbraw/zinc/23/80/03/434238003.db2.gz HRQKDRYVGMRIAS-VIFPVBQESA-N 2 2 311.307 3.085 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cnn1-c1cc(C)ccc1C ZINC000423279474 434333184 /nfs/dbraw/zinc/33/31/84/434333184.db2.gz RZOPUCISRVEBJP-MAUKXSAKSA-N 2 2 314.477 3.431 20 0 DGADLP Oc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1Cl ZINC000295256242 434281801 /nfs/dbraw/zinc/28/18/01/434281801.db2.gz GKCXNRANCCGWPT-HNNXBMFYSA-N 2 2 308.853 3.496 20 0 DGADLP Oc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1Cl ZINC000295256242 434281806 /nfs/dbraw/zinc/28/18/06/434281806.db2.gz GKCXNRANCCGWPT-HNNXBMFYSA-N 2 2 308.853 3.496 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009267 434282292 /nfs/dbraw/zinc/28/22/92/434282292.db2.gz VEJYWZSIBKBCOW-WOJBJXKFSA-N 2 2 316.489 3.084 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009267 434282302 /nfs/dbraw/zinc/28/23/02/434282302.db2.gz VEJYWZSIBKBCOW-WOJBJXKFSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000423206774 434283757 /nfs/dbraw/zinc/28/37/57/434283757.db2.gz CXIVGKUZAMJOTQ-HUUCEWRRSA-N 2 2 311.267 3.488 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCCC2 ZINC000423209528 434286055 /nfs/dbraw/zinc/28/60/55/434286055.db2.gz GICUIFWBEYPACE-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC[N@@H+]1C ZINC000358018206 434291791 /nfs/dbraw/zinc/29/17/91/434291791.db2.gz JHNSFKIXVNSFHJ-BNEJOLLZSA-N 2 2 306.425 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC[N@H+]1C ZINC000358018206 434291800 /nfs/dbraw/zinc/29/18/00/434291800.db2.gz JHNSFKIXVNSFHJ-BNEJOLLZSA-N 2 2 306.425 3.118 20 0 DGADLP C[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423222336 434293480 /nfs/dbraw/zinc/29/34/80/434293480.db2.gz APHVGYAGPNXKKP-ZDUSSCGKSA-N 2 2 305.422 3.136 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1Cl)C1CC([NH3+])C1 ZINC000384864794 434294319 /nfs/dbraw/zinc/29/43/19/434294319.db2.gz NPFFAMMNJPMSTP-UHFFFAOYSA-N 2 2 303.631 3.024 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1Cl)C1CC([NH3+])C1 ZINC000384864794 434294328 /nfs/dbraw/zinc/29/43/28/434294328.db2.gz NPFFAMMNJPMSTP-UHFFFAOYSA-N 2 2 303.631 3.024 20 0 DGADLP C[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589636 434295068 /nfs/dbraw/zinc/29/50/68/434295068.db2.gz KVBKTLMUVWNLSS-JKSUJKDBSA-N 2 2 320.452 3.114 20 0 DGADLP C[C@@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589636 434295076 /nfs/dbraw/zinc/29/50/76/434295076.db2.gz KVBKTLMUVWNLSS-JKSUJKDBSA-N 2 2 320.452 3.114 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030548 434296608 /nfs/dbraw/zinc/29/66/08/434296608.db2.gz ASTQUVMFVIVACW-YDHLFZDLSA-N 2 2 316.474 3.338 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030548 434296617 /nfs/dbraw/zinc/29/66/17/434296617.db2.gz ASTQUVMFVIVACW-YDHLFZDLSA-N 2 2 316.474 3.338 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437589796 434297232 /nfs/dbraw/zinc/29/72/32/434297232.db2.gz LZPFJXCKEFYLNU-UHFFFAOYSA-N 2 2 304.463 3.054 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437589796 434297239 /nfs/dbraw/zinc/29/72/39/434297239.db2.gz LZPFJXCKEFYLNU-UHFFFAOYSA-N 2 2 304.463 3.054 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)cc1OC ZINC000340686030 434299681 /nfs/dbraw/zinc/29/96/81/434299681.db2.gz NNRUPEGCMZMRSQ-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)cc1OC ZINC000340686030 434299691 /nfs/dbraw/zinc/29/96/91/434299691.db2.gz NNRUPEGCMZMRSQ-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000423278519 434333713 /nfs/dbraw/zinc/33/37/13/434333713.db2.gz RGOWYXWYKDTRNE-ZJUUUORDSA-N 2 2 303.219 3.094 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423229266 434301043 /nfs/dbraw/zinc/30/10/43/434301043.db2.gz ANPVDQRXXWSFIX-UYAOXDASSA-N 2 2 310.441 3.321 20 0 DGADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000423233230 434301705 /nfs/dbraw/zinc/30/17/05/434301705.db2.gz JRLUWQJHRDNHEY-ROUUACIJSA-N 2 2 315.848 3.360 20 0 DGADLP c1ccc([C@H]2CC[C@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)cc1 ZINC000423238048 434303862 /nfs/dbraw/zinc/30/38/62/434303862.db2.gz UYXLUTTYVHTXIB-ROUUACIJSA-N 2 2 322.456 3.239 20 0 DGADLP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)s1 ZINC000423239094 434305411 /nfs/dbraw/zinc/30/54/11/434305411.db2.gz RUTFUCNNLNWZOF-GXFFZTMASA-N 2 2 315.280 3.303 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000348406532 434306240 /nfs/dbraw/zinc/30/62/40/434306240.db2.gz SXEBXEQATWCDKQ-UHFFFAOYSA-N 2 2 324.468 3.469 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423238704 434306333 /nfs/dbraw/zinc/30/63/33/434306333.db2.gz ASFLRKGOMSSZIE-WMLDXEAASA-N 2 2 314.429 3.363 20 0 DGADLP C[NH2+]CC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423234971 434307056 /nfs/dbraw/zinc/30/70/56/434307056.db2.gz ABPXAELBIUFSHK-CQSZACIVSA-N 2 2 322.250 3.117 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423244207 434308733 /nfs/dbraw/zinc/30/87/33/434308733.db2.gz NINLUVSONCQORS-PBHICJAKSA-N 2 2 314.429 3.363 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423244209 434308828 /nfs/dbraw/zinc/30/88/28/434308828.db2.gz NINLUVSONCQORS-WMLDXEAASA-N 2 2 314.429 3.363 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)Cc2cccc3[nH]ccc32)s1 ZINC000348411021 434309994 /nfs/dbraw/zinc/30/99/94/434309994.db2.gz PNHOFBFZRIYZNN-UHFFFAOYSA-N 2 2 314.458 3.318 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)Cc2cccc3[nH]ccc32)s1 ZINC000348411021 434310005 /nfs/dbraw/zinc/31/00/05/434310005.db2.gz PNHOFBFZRIYZNN-UHFFFAOYSA-N 2 2 314.458 3.318 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)[C@H](C)O1 ZINC000386690602 434312940 /nfs/dbraw/zinc/31/29/40/434312940.db2.gz KIBMBPGLGYNIMJ-RYRKJORJSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)[C@H](C)O1 ZINC000386690602 434312949 /nfs/dbraw/zinc/31/29/49/434312949.db2.gz KIBMBPGLGYNIMJ-RYRKJORJSA-N 2 2 302.462 3.197 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423251319 434315076 /nfs/dbraw/zinc/31/50/76/434315076.db2.gz VXVRBOBJTZNCLQ-HOCLYGCPSA-N 2 2 324.440 3.034 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386924380 434318622 /nfs/dbraw/zinc/31/86/22/434318622.db2.gz RZEVRKIGZDNDMZ-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386924380 434318634 /nfs/dbraw/zinc/31/86/34/434318634.db2.gz RZEVRKIGZDNDMZ-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCC2 ZINC000423257656 434320061 /nfs/dbraw/zinc/32/00/61/434320061.db2.gz AAAZSBSNZZUJEW-ZIAGYGMSSA-N 2 2 322.449 3.105 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423258266 434320933 /nfs/dbraw/zinc/32/09/33/434320933.db2.gz BEQWELVHGXMZRP-ONGXEEELSA-N 2 2 317.296 3.461 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423271458 434327497 /nfs/dbraw/zinc/32/74/97/434327497.db2.gz HNVYSJINCOZEQD-HZMBPMFUSA-N 2 2 305.422 3.337 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@H]([NH3+])C(C)C)c2cccnc2)ccc1F ZINC000423277379 434333039 /nfs/dbraw/zinc/33/30/39/434333039.db2.gz PLLQHVOKMVBSQS-ROUUACIJSA-N 2 2 301.409 3.191 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000357996734 434276898 /nfs/dbraw/zinc/27/68/98/434276898.db2.gz SPMKSYUVDRPRIN-SUNYJGFJSA-N 2 2 315.461 3.026 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000357996734 434276906 /nfs/dbraw/zinc/27/69/06/434276906.db2.gz SPMKSYUVDRPRIN-SUNYJGFJSA-N 2 2 315.461 3.026 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000390568628 434361707 /nfs/dbraw/zinc/36/17/07/434361707.db2.gz RLVNHUKHFXVRSO-NBMJBFSESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000390568628 434361712 /nfs/dbraw/zinc/36/17/12/434361712.db2.gz RLVNHUKHFXVRSO-NBMJBFSESA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625697 434362833 /nfs/dbraw/zinc/36/28/33/434362833.db2.gz HWONYWKDVJBGIE-RBUKOAKNSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625697 434362842 /nfs/dbraw/zinc/36/28/42/434362842.db2.gz HWONYWKDVJBGIE-RBUKOAKNSA-N 2 2 302.462 3.056 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccco2)cc1 ZINC000423326703 434366774 /nfs/dbraw/zinc/36/67/74/434366774.db2.gz JQHIQGSGIISROU-COXVUDFISA-N 2 2 300.402 3.085 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417355603 434367558 /nfs/dbraw/zinc/36/75/58/434367558.db2.gz OFJCLIYRVKHHKD-GFCCVEGCSA-N 2 2 300.368 3.320 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366235264 434367832 /nfs/dbraw/zinc/36/78/32/434367832.db2.gz JOSNBVPGTMLPFS-JYJNAYRXSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366235264 434367838 /nfs/dbraw/zinc/36/78/38/434367838.db2.gz JOSNBVPGTMLPFS-JYJNAYRXSA-N 2 2 320.502 3.312 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000423335118 434368976 /nfs/dbraw/zinc/36/89/76/434368976.db2.gz PLBIWIWUPPDSJN-HXUWFJFHSA-N 2 2 312.457 3.218 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287473617 434370200 /nfs/dbraw/zinc/37/02/00/434370200.db2.gz WMYOWEJJOIPENK-JYPHPWERSA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287473617 434370210 /nfs/dbraw/zinc/37/02/10/434370210.db2.gz WMYOWEJJOIPENK-JYPHPWERSA-N 2 2 302.462 3.197 20 0 DGADLP c1cn(CCCC[NH2+][C@@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000390861975 434370989 /nfs/dbraw/zinc/37/09/89/434370989.db2.gz LSQLRLNKYBBZCN-IBGZPJMESA-N 2 2 306.413 3.438 20 0 DGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000353726851 434373013 /nfs/dbraw/zinc/37/30/13/434373013.db2.gz GAOKHPAXRKJGIX-CYBMUJFWSA-N 2 2 316.449 3.183 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CC[NH2+]CCOC ZINC000423342674 434375833 /nfs/dbraw/zinc/37/58/33/434375833.db2.gz VHNBKSQFCAFYFB-AWEZNQCLSA-N 2 2 304.434 3.190 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000423345648 434376368 /nfs/dbraw/zinc/37/63/68/434376368.db2.gz YAESJOOYXVGQTA-OAHLLOKOSA-N 2 2 302.821 3.002 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423363441 434385333 /nfs/dbraw/zinc/38/53/33/434385333.db2.gz IYWFAUHICQULOA-BLLLJJGKSA-N 2 2 306.356 3.314 20 0 DGADLP C[C@H](O)CCC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751324 434387637 /nfs/dbraw/zinc/38/76/37/434387637.db2.gz DAOVEFVJZYTHPC-LPHOPBHVSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@H](O)CCC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751324 434387642 /nfs/dbraw/zinc/38/76/42/434387642.db2.gz DAOVEFVJZYTHPC-LPHOPBHVSA-N 2 2 318.505 3.210 20 0 DGADLP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)c(F)c1 ZINC000423371217 434389467 /nfs/dbraw/zinc/38/94/67/434389467.db2.gz UWNTYDBYGPXTOY-CRAIPNDOSA-N 2 2 317.383 3.181 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423381418 434389514 /nfs/dbraw/zinc/38/95/14/434389514.db2.gz FORSERXXRPYMPW-CXAGYDPISA-N 2 2 303.837 3.216 20 0 DGADLP C[N@H+](CC[NH2+]Cc1ccc(C(C)(C)O)cc1)Cc1ccccc1 ZINC000295380160 434335051 /nfs/dbraw/zinc/33/50/51/434335051.db2.gz KLDURPDKFGYBSB-UHFFFAOYSA-N 2 2 312.457 3.136 20 0 DGADLP C[N@@H+](CC[NH2+]Cc1ccc(C(C)(C)O)cc1)Cc1ccccc1 ZINC000295380160 434335061 /nfs/dbraw/zinc/33/50/61/434335061.db2.gz KLDURPDKFGYBSB-UHFFFAOYSA-N 2 2 312.457 3.136 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000295381878 434335986 /nfs/dbraw/zinc/33/59/86/434335986.db2.gz KMUPNKFXCPSNLC-UHFFFAOYSA-N 2 2 321.424 3.390 20 0 DGADLP C[NH+](C)C1(CNc2cc[nH+]c3c(Cl)cccc23)CCOCC1 ZINC000287332641 434336356 /nfs/dbraw/zinc/33/63/56/434336356.db2.gz OKCQXLLBDZRAHQ-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000423287008 434338519 /nfs/dbraw/zinc/33/85/19/434338519.db2.gz JVXBXQUOWPRGGC-CQSZACIVSA-N 2 2 315.465 3.052 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1OC ZINC000353686336 434339219 /nfs/dbraw/zinc/33/92/19/434339219.db2.gz XBNZEZZFPULYSH-SQWLQELKSA-N 2 2 306.450 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1OC ZINC000353686336 434339225 /nfs/dbraw/zinc/33/92/25/434339225.db2.gz XBNZEZZFPULYSH-SQWLQELKSA-N 2 2 306.450 3.146 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000423280355 434339634 /nfs/dbraw/zinc/33/96/34/434339634.db2.gz TYADEZUGOGCGAF-NOZJJQNGSA-N 2 2 303.219 3.222 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423288661 434342945 /nfs/dbraw/zinc/34/29/45/434342945.db2.gz UEFRWKOAFYZEQI-FUHWJXTLSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423288661 434342956 /nfs/dbraw/zinc/34/29/56/434342956.db2.gz UEFRWKOAFYZEQI-FUHWJXTLSA-N 3 2 303.494 3.004 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146159 434345644 /nfs/dbraw/zinc/34/56/44/434345644.db2.gz FEQQUIIQDLRYMH-RBUKOAKNSA-N 2 2 302.462 3.108 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146159 434345650 /nfs/dbraw/zinc/34/56/50/434345650.db2.gz FEQQUIIQDLRYMH-RBUKOAKNSA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146159 434345662 /nfs/dbraw/zinc/34/56/62/434345662.db2.gz FEQQUIIQDLRYMH-RBUKOAKNSA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000366146159 434345668 /nfs/dbraw/zinc/34/56/68/434345668.db2.gz FEQQUIIQDLRYMH-RBUKOAKNSA-N 2 2 302.462 3.108 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423293772 434345954 /nfs/dbraw/zinc/34/59/54/434345954.db2.gz ASCVCLWBOKHNHM-NZSAHSFTSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293772 434345965 /nfs/dbraw/zinc/34/59/65/434345965.db2.gz ASCVCLWBOKHNHM-NZSAHSFTSA-N 3 2 303.494 3.004 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423289045 434346454 /nfs/dbraw/zinc/34/64/54/434346454.db2.gz VXPYLNCUKQWSAV-IPMKNSEASA-N 3 2 315.505 3.004 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423289045 434346462 /nfs/dbraw/zinc/34/64/62/434346462.db2.gz VXPYLNCUKQWSAV-IPMKNSEASA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389850181 434352058 /nfs/dbraw/zinc/35/20/58/434352058.db2.gz UQOFIXFPGCZVOV-FVJLSDCUSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389850181 434352061 /nfs/dbraw/zinc/35/20/61/434352061.db2.gz UQOFIXFPGCZVOV-FVJLSDCUSA-N 2 2 324.468 3.433 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccc(Cl)cc2)cc1 ZINC000423303529 434352073 /nfs/dbraw/zinc/35/20/73/434352073.db2.gz LYENLWCWNRQHAC-KRWDZBQOSA-N 2 2 304.796 3.378 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cnn(C(C)C)c1)CCC2 ZINC000366210682 434357249 /nfs/dbraw/zinc/35/72/49/434357249.db2.gz PGRPXBUSHCTCQP-CABCVRRESA-N 2 2 301.438 3.197 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423317338 434359406 /nfs/dbraw/zinc/35/94/06/434359406.db2.gz KLSSHCOUOINLFI-PRHODGIISA-N 2 2 304.768 3.329 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358169550 434360044 /nfs/dbraw/zinc/36/00/44/434360044.db2.gz PNHBGUNCVIIBPY-LSDHHAIUSA-N 2 2 308.491 3.170 20 0 DGADLP C[C@@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CCC[NH2+]C1 ZINC000423324675 434359987 /nfs/dbraw/zinc/35/99/87/434359987.db2.gz BDSPOAGQXBOXED-RBUKOAKNSA-N 2 2 313.420 3.289 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224312 434360102 /nfs/dbraw/zinc/36/01/02/434360102.db2.gz WUGOHSPOAMKRLN-AEFFLSMTSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224312 434360110 /nfs/dbraw/zinc/36/01/10/434360110.db2.gz WUGOHSPOAMKRLN-AEFFLSMTSA-N 2 2 310.445 3.039 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423319152 434360559 /nfs/dbraw/zinc/36/05/59/434360559.db2.gz CIRIWHPDCUIVIC-HNNXBMFYSA-N 2 2 318.383 3.228 20 0 DGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000295892481 434445350 /nfs/dbraw/zinc/44/53/50/434445350.db2.gz DQZWILIAZDJECR-AWEZNQCLSA-N 2 2 324.852 3.043 20 0 DGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000295892481 434445357 /nfs/dbraw/zinc/44/53/57/434445357.db2.gz DQZWILIAZDJECR-AWEZNQCLSA-N 2 2 324.852 3.043 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000423381386 434393401 /nfs/dbraw/zinc/39/34/01/434393401.db2.gz ZPMAOGVHAUFGSH-PNPHSEOMSA-N 2 2 317.383 3.156 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000353748849 434394710 /nfs/dbraw/zinc/39/47/10/434394710.db2.gz JONXJNZTVDAUAV-RHSMWYFYSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000353748849 434394721 /nfs/dbraw/zinc/39/47/21/434394721.db2.gz JONXJNZTVDAUAV-RHSMWYFYSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1C ZINC000353748849 434394728 /nfs/dbraw/zinc/39/47/28/434394728.db2.gz JONXJNZTVDAUAV-RHSMWYFYSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1C ZINC000353748849 434394734 /nfs/dbraw/zinc/39/47/34/434394734.db2.gz JONXJNZTVDAUAV-RHSMWYFYSA-N 2 2 306.498 3.215 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748978 434395241 /nfs/dbraw/zinc/39/52/41/434395241.db2.gz QWBVGDDSFMOPMF-BBRMVZONSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748978 434395251 /nfs/dbraw/zinc/39/52/51/434395251.db2.gz QWBVGDDSFMOPMF-BBRMVZONSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748978 434395264 /nfs/dbraw/zinc/39/52/64/434395264.db2.gz QWBVGDDSFMOPMF-BBRMVZONSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000353748978 434395272 /nfs/dbraw/zinc/39/52/72/434395272.db2.gz QWBVGDDSFMOPMF-BBRMVZONSA-N 2 2 320.868 3.292 20 0 DGADLP Cc1cn2cc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)ccc2[nH+]1 ZINC000423388861 434395483 /nfs/dbraw/zinc/39/54/83/434395483.db2.gz JENLIYRGRLOUPW-KRWDZBQOSA-N 2 2 322.412 3.307 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753663 434400138 /nfs/dbraw/zinc/40/01/38/434400138.db2.gz XJTNCZGURFKWRF-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753663 434400149 /nfs/dbraw/zinc/40/01/49/434400149.db2.gz XJTNCZGURFKWRF-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753663 434400157 /nfs/dbraw/zinc/40/01/57/434400157.db2.gz XJTNCZGURFKWRF-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CCCN(CC[NH+]1CCCC1)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000348559294 434400042 /nfs/dbraw/zinc/40/00/42/434400042.db2.gz TYJQSQQZAQPPHY-UHFFFAOYSA-N 2 2 320.868 3.296 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753663 434400164 /nfs/dbraw/zinc/40/01/64/434400164.db2.gz XJTNCZGURFKWRF-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750636 434400272 /nfs/dbraw/zinc/40/02/72/434400272.db2.gz WGPOWXFNOFCDLR-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750636 434400280 /nfs/dbraw/zinc/40/02/80/434400280.db2.gz WGPOWXFNOFCDLR-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750636 434400291 /nfs/dbraw/zinc/40/02/91/434400291.db2.gz WGPOWXFNOFCDLR-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)C[C@H]1C ZINC000353750636 434400299 /nfs/dbraw/zinc/40/02/99/434400299.db2.gz WGPOWXFNOFCDLR-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000423393558 434400866 /nfs/dbraw/zinc/40/08/66/434400866.db2.gz YTNBDJABFMPNSO-NXEZZACHSA-N 2 2 303.219 3.237 20 0 DGADLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(F)c(Cl)cc43)C[C@@H]21 ZINC000450780476 434404945 /nfs/dbraw/zinc/40/49/45/434404945.db2.gz QRZSDZPDDJCQBR-HWPZZCPQSA-N 2 2 305.784 3.168 20 0 DGADLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4cc(F)c(Cl)cc43)C[C@@H]21 ZINC000450780476 434404953 /nfs/dbraw/zinc/40/49/53/434404953.db2.gz QRZSDZPDDJCQBR-HWPZZCPQSA-N 2 2 305.784 3.168 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753665 434405803 /nfs/dbraw/zinc/40/58/03/434405803.db2.gz XJTNCZGURFKWRF-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753665 434405808 /nfs/dbraw/zinc/40/58/08/434405808.db2.gz XJTNCZGURFKWRF-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753665 434405819 /nfs/dbraw/zinc/40/58/19/434405819.db2.gz XJTNCZGURFKWRF-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753665 434405828 /nfs/dbraw/zinc/40/58/28/434405828.db2.gz XJTNCZGURFKWRF-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000450787998 434408973 /nfs/dbraw/zinc/40/89/73/434408973.db2.gz SFYWFXWHTWGRMT-UHFFFAOYSA-N 2 2 324.428 3.117 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423416281 434409951 /nfs/dbraw/zinc/40/99/51/434409951.db2.gz FQWARLQPNLVWRE-YSGRDPCXSA-N 2 2 310.441 3.239 20 0 DGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423413037 434410310 /nfs/dbraw/zinc/41/03/10/434410310.db2.gz JHXZMINTSQYUOD-GOEBONIOSA-N 2 2 314.832 3.288 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000438111408 434410552 /nfs/dbraw/zinc/41/05/52/434410552.db2.gz ALKKRMJWIPPZAI-KDOFPFPSSA-N 2 2 300.377 3.478 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000438111408 434410557 /nfs/dbraw/zinc/41/05/57/434410557.db2.gz ALKKRMJWIPPZAI-KDOFPFPSSA-N 2 2 300.377 3.478 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(Br)c1F ZINC000395018424 434411125 /nfs/dbraw/zinc/41/11/25/434411125.db2.gz PQFCTLFSJIDSOS-UHFFFAOYSA-N 2 2 317.246 3.266 20 0 DGADLP COC[C@]1(C[NH2+]C(c2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC000423408891 434411987 /nfs/dbraw/zinc/41/19/87/434411987.db2.gz BBHKFKSJHKNVLF-HXUWFJFHSA-N 2 2 310.441 3.134 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879453 434423693 /nfs/dbraw/zinc/42/36/93/434423693.db2.gz GVGGIGZNTSUQFA-HKUYNNGSSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879453 434423705 /nfs/dbraw/zinc/42/37/05/434423705.db2.gz GVGGIGZNTSUQFA-HKUYNNGSSA-N 2 2 324.472 3.430 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423444562 434428357 /nfs/dbraw/zinc/42/83/57/434428357.db2.gz XWKBHVCSJXLQIT-YOEHRIQHSA-N 2 2 308.491 3.218 20 0 DGADLP CSCC1CCC([NH2+]C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423445749 434430352 /nfs/dbraw/zinc/43/03/52/434430352.db2.gz YOVYJVILNZWQPS-JFUPDXTOSA-N 2 2 304.503 3.385 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397298444 434431959 /nfs/dbraw/zinc/43/19/59/434431959.db2.gz CMDMBKWUSWQARK-GLJUWKHASA-N 2 2 318.461 3.093 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397298444 434431967 /nfs/dbraw/zinc/43/19/67/434431967.db2.gz CMDMBKWUSWQARK-GLJUWKHASA-N 2 2 318.461 3.093 20 0 DGADLP CCc1nc(N2CCC(Oc3cc[nH+]cc3C)CC2)cc(C)[nH+]1 ZINC000287712005 434434361 /nfs/dbraw/zinc/43/43/61/434434361.db2.gz KTVKWWQDSDLPIE-UHFFFAOYSA-N 2 2 312.417 3.099 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000423501205 434462349 /nfs/dbraw/zinc/46/23/49/434462349.db2.gz LBZFUFQVCYVDQV-SUMWQHHRSA-N 2 2 314.429 3.314 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000438344056 434465790 /nfs/dbraw/zinc/46/57/90/434465790.db2.gz FMHSAJKLBOKIOU-UHFFFAOYSA-N 2 2 312.461 3.282 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@H](C)C1 ZINC000359996216 434469492 /nfs/dbraw/zinc/46/94/92/434469492.db2.gz VUIZYUVBNMIWQI-OCCSQVGLSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@H](C)C1 ZINC000359996216 434469504 /nfs/dbraw/zinc/46/95/04/434469504.db2.gz VUIZYUVBNMIWQI-OCCSQVGLSA-N 2 2 320.868 3.047 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423514894 434470169 /nfs/dbraw/zinc/47/01/69/434470169.db2.gz XBYMRRXHEBNYGF-MANSERQUSA-N 2 2 314.473 3.186 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423518113 434470337 /nfs/dbraw/zinc/47/03/37/434470337.db2.gz IFTGJAXUMCYAIY-DNVCBOLYSA-N 2 2 312.413 3.118 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000423535440 434482406 /nfs/dbraw/zinc/48/24/06/434482406.db2.gz XPXSREFPPAVJLW-PNHOKKKMSA-N 2 2 308.425 3.123 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000400599259 434485143 /nfs/dbraw/zinc/48/51/43/434485143.db2.gz CFHIDQLHNHJLLU-MOPGFXCFSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000400599259 434485156 /nfs/dbraw/zinc/48/51/56/434485156.db2.gz CFHIDQLHNHJLLU-MOPGFXCFSA-N 2 2 304.478 3.159 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400368911 434485623 /nfs/dbraw/zinc/48/56/23/434485623.db2.gz SWBXCQUCTSZCKZ-YTQUADARSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000400368911 434485634 /nfs/dbraw/zinc/48/56/34/434485634.db2.gz SWBXCQUCTSZCKZ-YTQUADARSA-N 3 2 315.505 3.017 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCC[C@@H]3CCOC3)C2)cc1 ZINC000400519589 434487347 /nfs/dbraw/zinc/48/73/47/434487347.db2.gz DDTNXWAEVVMKKD-RTBURBONSA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCC[C@@H]3CCOC3)C2)cc1 ZINC000400519589 434487354 /nfs/dbraw/zinc/48/73/54/434487354.db2.gz DDTNXWAEVVMKKD-RTBURBONSA-N 2 2 302.462 3.057 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Br)s1 ZINC000423559763 434489904 /nfs/dbraw/zinc/48/99/04/434489904.db2.gz OYYCFVXDJKCZEW-ZJUUUORDSA-N 2 2 303.269 3.303 20 0 DGADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1nc2ccc(Cl)cc2n1C ZINC000423567921 434490779 /nfs/dbraw/zinc/49/07/79/434490779.db2.gz VJIZHKLGLMQJFB-NSHDSACASA-N 2 2 306.841 3.019 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)on1 ZINC000348785963 434492941 /nfs/dbraw/zinc/49/29/41/434492941.db2.gz SECRISVHKFECJB-QAPCUYQASA-N 2 2 313.445 3.026 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)on1 ZINC000348785963 434492948 /nfs/dbraw/zinc/49/29/48/434492948.db2.gz SECRISVHKFECJB-QAPCUYQASA-N 2 2 313.445 3.026 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@@H]1CCSC1 ZINC000296089063 434505624 /nfs/dbraw/zinc/50/56/24/434505624.db2.gz RCJGMFAMFLBSEQ-LBPRGKRZSA-N 2 2 307.850 3.368 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncn1 ZINC000398137456 434456898 /nfs/dbraw/zinc/45/68/98/434456898.db2.gz LJSVTYGQZWCJBR-RYRKJORJSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncn1 ZINC000398137456 434456909 /nfs/dbraw/zinc/45/69/09/434456909.db2.gz LJSVTYGQZWCJBR-RYRKJORJSA-N 2 2 310.445 3.038 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502314 434457653 /nfs/dbraw/zinc/45/76/53/434457653.db2.gz FCBSEMNQUHGMNX-NMLACTOBSA-N 2 2 310.441 3.108 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)[C@@H]1CC[NH3+] ZINC000404365410 434509930 /nfs/dbraw/zinc/50/99/30/434509930.db2.gz PIFNBAKNOPJIRP-TZMCWYRMSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)[C@@H]1CC[NH3+] ZINC000404365410 434509935 /nfs/dbraw/zinc/50/99/35/434509935.db2.gz PIFNBAKNOPJIRP-TZMCWYRMSA-N 2 2 305.447 3.352 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404366424 434510057 /nfs/dbraw/zinc/51/00/57/434510057.db2.gz PRNRTAOXQCZTPN-BBRMVZONSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404366424 434510061 /nfs/dbraw/zinc/51/00/61/434510061.db2.gz PRNRTAOXQCZTPN-BBRMVZONSA-N 2 2 323.868 3.036 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404322324 434510928 /nfs/dbraw/zinc/51/09/28/434510928.db2.gz RPWYKITXSGMWKX-KSSFIOAISA-N 2 2 318.461 3.237 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404322324 434510936 /nfs/dbraw/zinc/51/09/36/434510936.db2.gz RPWYKITXSGMWKX-KSSFIOAISA-N 2 2 318.461 3.237 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404325773 434511397 /nfs/dbraw/zinc/51/13/97/434511397.db2.gz UZKQHVNVWMLUOI-CRAIPNDOSA-N 2 2 317.477 3.198 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404325773 434511408 /nfs/dbraw/zinc/51/14/08/434511408.db2.gz UZKQHVNVWMLUOI-CRAIPNDOSA-N 2 2 317.477 3.198 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404356806 434511600 /nfs/dbraw/zinc/51/16/00/434511600.db2.gz LWTPFZCAPSNNJD-CJNGLKHVSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404356806 434511608 /nfs/dbraw/zinc/51/16/08/434511608.db2.gz LWTPFZCAPSNNJD-CJNGLKHVSA-N 2 2 323.868 3.036 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)[C@H]1CC[NH3+] ZINC000404382362 434512903 /nfs/dbraw/zinc/51/29/03/434512903.db2.gz UTNWHMGEPSJNLE-JSGCOSHPSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)[C@H]1CC[NH3+] ZINC000404382362 434512910 /nfs/dbraw/zinc/51/29/10/434512910.db2.gz UTNWHMGEPSJNLE-JSGCOSHPSA-N 2 2 305.447 3.352 20 0 DGADLP Cc1noc([C@@H]2CCCC[N@@H+]2CCCc2ccc(C)[nH+]c2)n1 ZINC000348831974 434513346 /nfs/dbraw/zinc/51/33/46/434513346.db2.gz HJLAVTNMBQRZMF-INIZCTEOSA-N 2 2 300.406 3.241 20 0 DGADLP Cc1noc([C@@H]2CCCC[N@H+]2CCCc2ccc(C)[nH+]c2)n1 ZINC000348831974 434513352 /nfs/dbraw/zinc/51/33/52/434513352.db2.gz HJLAVTNMBQRZMF-INIZCTEOSA-N 2 2 300.406 3.241 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000353909712 434519020 /nfs/dbraw/zinc/51/90/20/434519020.db2.gz BFRNRVYBOOHKKV-LJQANCHMSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](CCNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccccc1 ZINC000348847378 434528066 /nfs/dbraw/zinc/52/80/66/434528066.db2.gz JPGFGSMHJJRUHB-INIZCTEOSA-N 2 2 306.413 3.932 20 0 DGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000423775919 434529778 /nfs/dbraw/zinc/52/97/78/434529778.db2.gz PRDQNUXRDJROBW-HNNXBMFYSA-N 2 2 314.433 3.348 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000353933158 434531781 /nfs/dbraw/zinc/53/17/81/434531781.db2.gz OQPDMYGKAJQAJW-ZMSDIMECSA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000353933158 434531788 /nfs/dbraw/zinc/53/17/88/434531788.db2.gz OQPDMYGKAJQAJW-ZMSDIMECSA-N 2 2 320.477 3.270 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(N3CCCC3)nc2)c[nH+]1 ZINC000353931222 434532633 /nfs/dbraw/zinc/53/26/33/434532633.db2.gz ICDOUDRBZHKWKD-UHFFFAOYSA-N 2 2 310.445 3.108 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994282 434563016 /nfs/dbraw/zinc/56/30/16/434563016.db2.gz AJDAVUDFRRMBON-SJORKVTESA-N 2 2 316.424 3.102 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994282 434563025 /nfs/dbraw/zinc/56/30/25/434563025.db2.gz AJDAVUDFRRMBON-SJORKVTESA-N 2 2 316.424 3.102 20 0 DGADLP CCC[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000527000284 295069342 /nfs/dbraw/zinc/06/93/42/295069342.db2.gz CUVDLUVHOSJNLP-UHFFFAOYSA-N 2 2 302.422 3.141 20 0 DGADLP COC[C@H](C)C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111527 295078697 /nfs/dbraw/zinc/07/86/97/295078697.db2.gz WGABZATVZHSUKJ-VQIMIIECSA-N 2 2 318.505 3.332 20 0 DGADLP COC[C@H](C)C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000527111527 295078700 /nfs/dbraw/zinc/07/87/00/295078700.db2.gz WGABZATVZHSUKJ-VQIMIIECSA-N 2 2 318.505 3.332 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000527214718 295083938 /nfs/dbraw/zinc/08/39/38/295083938.db2.gz NXZWXVHLIKYSJR-MRXNPFEDSA-N 2 2 317.458 3.499 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000459379329 434571999 /nfs/dbraw/zinc/57/19/99/434571999.db2.gz ANWZOJPCRMKPFD-UHFFFAOYSA-N 2 2 307.397 3.281 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000459379329 434572006 /nfs/dbraw/zinc/57/20/06/434572006.db2.gz ANWZOJPCRMKPFD-UHFFFAOYSA-N 2 2 307.397 3.281 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459378448 434572298 /nfs/dbraw/zinc/57/22/98/434572298.db2.gz OGUHKANYZBEJFE-UHFFFAOYSA-N 2 2 321.428 3.192 20 0 DGADLP Cc1cc(NC(=O)[C@H]([NH3+])CC(F)F)ccc1Oc1cc[nH+]cc1 ZINC000423906987 434573317 /nfs/dbraw/zinc/57/33/17/434573317.db2.gz NRKJNNVJPOEOIE-CYBMUJFWSA-N 2 2 321.327 3.103 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)c(C)c1OC ZINC000285953814 295140695 /nfs/dbraw/zinc/14/06/95/295140695.db2.gz GHGPTYGONLNPNW-KBPBESRZSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)c(C)c1OC ZINC000285953814 295140697 /nfs/dbraw/zinc/14/06/97/295140697.db2.gz GHGPTYGONLNPNW-KBPBESRZSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc[nH+]c1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000528016528 295167208 /nfs/dbraw/zinc/16/72/08/295167208.db2.gz BHVDHMMGZPDQRE-FQEVSTJZSA-N 2 2 323.440 3.193 20 0 DGADLP COc1ccc[nH+]c1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000528016528 295167209 /nfs/dbraw/zinc/16/72/09/295167209.db2.gz BHVDHMMGZPDQRE-FQEVSTJZSA-N 2 2 323.440 3.193 20 0 DGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000418080502 434580111 /nfs/dbraw/zinc/58/01/11/434580111.db2.gz RXVKSQTVVOTAGE-MRXNPFEDSA-N 2 2 305.809 3.210 20 0 DGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000418080502 434580120 /nfs/dbraw/zinc/58/01/20/434580120.db2.gz RXVKSQTVVOTAGE-MRXNPFEDSA-N 2 2 305.809 3.210 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](OC)c1ccc(F)cc1 ZINC000528400241 295208426 /nfs/dbraw/zinc/20/84/26/295208426.db2.gz MIIIAODBBFLFMX-FGTMMUONSA-N 2 2 306.425 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](OC)c1ccc(F)cc1 ZINC000528400241 295208428 /nfs/dbraw/zinc/20/84/28/295208428.db2.gz MIIIAODBBFLFMX-FGTMMUONSA-N 2 2 306.425 3.072 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427486 295212683 /nfs/dbraw/zinc/21/26/83/295212683.db2.gz ZSBFLRCLAHBYJL-BMGDILEWSA-N 2 2 317.408 3.293 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000528427486 295212684 /nfs/dbraw/zinc/21/26/84/295212684.db2.gz ZSBFLRCLAHBYJL-BMGDILEWSA-N 2 2 317.408 3.293 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCCS2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423027341 295245114 /nfs/dbraw/zinc/24/51/14/295245114.db2.gz DBLLAWUBHRNFOE-SQNIBIBYSA-N 2 2 320.502 3.364 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459478354 434587189 /nfs/dbraw/zinc/58/71/89/434587189.db2.gz IBXNGQQDQAKTAR-NEWSRXKRSA-N 2 2 309.457 3.478 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459478354 434587197 /nfs/dbraw/zinc/58/71/97/434587197.db2.gz IBXNGQQDQAKTAR-NEWSRXKRSA-N 2 2 309.457 3.478 20 0 DGADLP C[NH+](C)CCN(Cc1cccc2[nH+]ccn21)CC1CCCCC1 ZINC000349059067 434591641 /nfs/dbraw/zinc/59/16/41/434591641.db2.gz BEDWAMVKWXSJAY-UHFFFAOYSA-N 2 2 314.477 3.278 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000349130427 434613545 /nfs/dbraw/zinc/61/35/45/434613545.db2.gz OHGHDNPKXRJCEO-PYLYLYNFSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000349130427 434613548 /nfs/dbraw/zinc/61/35/48/434613548.db2.gz OHGHDNPKXRJCEO-PYLYLYNFSA-N 2 2 303.356 3.201 20 0 DGADLP CC(C)[C@H](CNCc1c[nH+]cn1C(C)C)[NH+]1CCC(C)CC1 ZINC000424125554 434630215 /nfs/dbraw/zinc/63/02/15/434630215.db2.gz AGEANSVHCYZQGA-SFHVURJKSA-N 2 2 306.498 3.310 20 0 DGADLP COc1ccc(OCCC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354135282 434638424 /nfs/dbraw/zinc/63/84/24/434638424.db2.gz YBSMAZFAYVGECW-UHFFFAOYSA-N 2 2 314.429 3.390 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641327 434644949 /nfs/dbraw/zinc/64/49/49/434644949.db2.gz MJPIOPGYDSPHLA-WBMJQRKESA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641327 434644955 /nfs/dbraw/zinc/64/49/55/434644955.db2.gz MJPIOPGYDSPHLA-WBMJQRKESA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccn(C)n1 ZINC000459747217 434694125 /nfs/dbraw/zinc/69/41/25/434694125.db2.gz JEJOMTJMIDYODB-MPGHIAIKSA-N 2 2 304.482 3.114 20 0 DGADLP c1ccc(C[NH+]2CCC(Nc3c[nH+]c4c(c3)CCCC4)CC2)nc1 ZINC000360806094 434697925 /nfs/dbraw/zinc/69/79/25/434697925.db2.gz LUEDNBSNEUTYJP-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459666266 434653094 /nfs/dbraw/zinc/65/30/94/434653094.db2.gz RGEUYXAEMGMEAV-GFCCVEGCSA-N 2 2 311.351 3.202 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459666267 434653231 /nfs/dbraw/zinc/65/32/31/434653231.db2.gz RGEUYXAEMGMEAV-LBPRGKRZSA-N 2 2 311.351 3.202 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000354181385 434659931 /nfs/dbraw/zinc/65/99/31/434659931.db2.gz LYPLNNZLBWJOBT-XYJFISCASA-N 3 2 303.494 3.279 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220400 434674054 /nfs/dbraw/zinc/67/40/54/434674054.db2.gz FNOSMMADESGPSO-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220400 434674062 /nfs/dbraw/zinc/67/40/62/434674062.db2.gz FNOSMMADESGPSO-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220400 434674067 /nfs/dbraw/zinc/67/40/67/434674067.db2.gz FNOSMMADESGPSO-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@@H]1C ZINC000354220400 434674074 /nfs/dbraw/zinc/67/40/74/434674074.db2.gz FNOSMMADESGPSO-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060886 434674266 /nfs/dbraw/zinc/67/42/66/434674266.db2.gz HYJOWUMYZFHPJG-VOUKYHDCSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060886 434674274 /nfs/dbraw/zinc/67/42/74/434674274.db2.gz HYJOWUMYZFHPJG-VOUKYHDCSA-N 2 2 308.510 3.265 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226054 434676996 /nfs/dbraw/zinc/67/69/96/434676996.db2.gz UYPCEFQUDFXYCJ-GOEBONIOSA-N 2 2 312.461 3.243 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226054 434677000 /nfs/dbraw/zinc/67/70/00/434677000.db2.gz UYPCEFQUDFXYCJ-GOEBONIOSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226054 434677006 /nfs/dbraw/zinc/67/70/06/434677006.db2.gz UYPCEFQUDFXYCJ-GOEBONIOSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000354226054 434677012 /nfs/dbraw/zinc/67/70/12/434677012.db2.gz UYPCEFQUDFXYCJ-GOEBONIOSA-N 2 2 312.461 3.243 20 0 DGADLP CO[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000354274538 434699867 /nfs/dbraw/zinc/69/98/67/434699867.db2.gz YAVLVCIGKZFBJE-MRXNPFEDSA-N 2 2 315.804 3.465 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nc2ccccc2n1C(F)F ZINC000424289933 434680818 /nfs/dbraw/zinc/68/08/18/434680818.db2.gz CTSCJJRFDXBVBB-QJPTWQEYSA-N 2 2 308.376 3.352 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c(C)nc2ccccn21 ZINC000349349528 434684058 /nfs/dbraw/zinc/68/40/58/434684058.db2.gz OTOPVECRBWEYJC-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(C)nc2ccccn21 ZINC000349349528 434684063 /nfs/dbraw/zinc/68/40/63/434684063.db2.gz OTOPVECRBWEYJC-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2c(F)cccc2F)cs1 ZINC000424299786 434685555 /nfs/dbraw/zinc/68/55/55/434685555.db2.gz VVQBTBSWGHNFDI-CHWSQXEVSA-N 2 2 323.412 3.448 20 0 DGADLP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000360863269 434713973 /nfs/dbraw/zinc/71/39/73/434713973.db2.gz AHGIBONGQZCDDH-KDOFPFPSSA-N 2 2 322.456 3.017 20 0 DGADLP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000360863269 434713980 /nfs/dbraw/zinc/71/39/80/434713980.db2.gz AHGIBONGQZCDDH-KDOFPFPSSA-N 2 2 322.456 3.017 20 0 DGADLP Cc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc(C(C)C)[nH+]1 ZINC000360881451 434718128 /nfs/dbraw/zinc/71/81/28/434718128.db2.gz ARLYDMZSOJXBOB-HNNXBMFYSA-N 2 2 313.449 3.101 20 0 DGADLP COCc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)ccc1F ZINC000354326590 434722008 /nfs/dbraw/zinc/72/20/08/434722008.db2.gz DSVDXYZWIQSMBI-UHFFFAOYSA-N 2 2 302.393 3.398 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459789827 434722163 /nfs/dbraw/zinc/72/21/63/434722163.db2.gz GALFQBVWSRPDPX-CEXWTWQISA-N 2 2 308.510 3.122 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459789827 434722166 /nfs/dbraw/zinc/72/21/66/434722166.db2.gz GALFQBVWSRPDPX-CEXWTWQISA-N 2 2 308.510 3.122 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459789827 434722170 /nfs/dbraw/zinc/72/21/70/434722170.db2.gz GALFQBVWSRPDPX-CEXWTWQISA-N 2 2 308.510 3.122 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459789827 434722173 /nfs/dbraw/zinc/72/21/73/434722173.db2.gz GALFQBVWSRPDPX-CEXWTWQISA-N 2 2 308.510 3.122 20 0 DGADLP CSC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423311951 295623513 /nfs/dbraw/zinc/62/35/13/295623513.db2.gz CGWGNSAWVMPUNO-KGLIPLIRSA-N 2 2 318.408 3.436 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000360953321 434741718 /nfs/dbraw/zinc/74/17/18/434741718.db2.gz GWYDFHQOUFJUKT-IRXDYDNUSA-N 2 2 324.509 3.210 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000360954379 434742273 /nfs/dbraw/zinc/74/22/73/434742273.db2.gz MKUWAQPSEMHHPW-IYBDPMFKSA-N 2 2 324.472 3.297 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000360954379 434742279 /nfs/dbraw/zinc/74/22/79/434742279.db2.gz MKUWAQPSEMHHPW-IYBDPMFKSA-N 2 2 324.472 3.297 20 0 DGADLP Cc1noc(C)c1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361058376 434782238 /nfs/dbraw/zinc/78/22/38/434782238.db2.gz CJNIHUGOHHARAI-UHFFFAOYSA-N 2 2 316.449 3.223 20 0 DGADLP C[N@H+](CCOCC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000445435796 434799842 /nfs/dbraw/zinc/79/98/42/434799842.db2.gz KHFBHNFUZXWGBE-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@@H+](CCOCC1CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000445435796 434799846 /nfs/dbraw/zinc/79/98/46/434799846.db2.gz KHFBHNFUZXWGBE-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1cncs1 ZINC000411549814 434801373 /nfs/dbraw/zinc/80/13/73/434801373.db2.gz IALGUMBQMKYPDE-SFHVURJKSA-N 2 2 317.502 3.432 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1cncs1 ZINC000411549814 434801376 /nfs/dbraw/zinc/80/13/76/434801376.db2.gz IALGUMBQMKYPDE-SFHVURJKSA-N 2 2 317.502 3.432 20 0 DGADLP CC(C)(C)OC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000411509242 434791206 /nfs/dbraw/zinc/79/12/06/434791206.db2.gz VZPSSVVDKYNFLC-UHFFFAOYSA-N 2 2 321.465 3.107 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1CCCc2ccc(O)cc21)Cc1ccccc1 ZINC000361110137 434798351 /nfs/dbraw/zinc/79/83/51/434798351.db2.gz OXVYMVAGMQSLDS-FQEVSTJZSA-N 2 2 310.441 3.491 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1CCCc2ccc(O)cc21)Cc1ccccc1 ZINC000361110137 434798354 /nfs/dbraw/zinc/79/83/54/434798354.db2.gz OXVYMVAGMQSLDS-FQEVSTJZSA-N 2 2 310.441 3.491 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000453133199 434811013 /nfs/dbraw/zinc/81/10/13/434811013.db2.gz YHZSRAZARYGVRB-CVEARBPZSA-N 2 2 312.461 3.127 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccncn2)c(C)c1 ZINC000453171554 434822175 /nfs/dbraw/zinc/82/21/75/434822175.db2.gz MGPPMFYXZYETFK-QFBILLFUSA-N 2 2 321.428 3.382 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000372407174 434823564 /nfs/dbraw/zinc/82/35/64/434823564.db2.gz LHZKSVUSXKFERB-KRWDZBQOSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000372407174 434823569 /nfs/dbraw/zinc/82/35/69/434823569.db2.gz LHZKSVUSXKFERB-KRWDZBQOSA-N 2 2 318.509 3.173 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](C3CC3)C3CCC3)[nH+]c2)C1 ZINC000453181560 434823606 /nfs/dbraw/zinc/82/36/06/434823606.db2.gz ZCNWWGJDXXWWTN-PKOBYXMFSA-N 2 2 314.477 3.213 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(F)F ZINC000453251405 434840660 /nfs/dbraw/zinc/84/06/60/434840660.db2.gz TVKBICSTLYHXLS-WFASDCNBSA-N 2 2 300.393 3.321 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc2ccccc21 ZINC000453260212 434843952 /nfs/dbraw/zinc/84/39/52/434843952.db2.gz QWRIZZCPVZPEET-AEFFLSMTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc2ccccc21 ZINC000453260212 434843954 /nfs/dbraw/zinc/84/39/54/434843954.db2.gz QWRIZZCPVZPEET-AEFFLSMTSA-N 2 2 312.457 3.337 20 0 DGADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cs1 ZINC000573340822 434891966 /nfs/dbraw/zinc/89/19/66/434891966.db2.gz TVSBQRLUZISDCD-KRWDZBQOSA-N 2 2 324.453 3.115 20 0 DGADLP CCc1nc(N2CCC[N@H+](CC3CCCCC3)CC2)cc(C)[nH+]1 ZINC000552939411 434873571 /nfs/dbraw/zinc/87/35/71/434873571.db2.gz KNLFLSGTBDFEIY-UHFFFAOYSA-N 2 2 316.493 3.440 20 0 DGADLP CCc1nc(N2CCC[N@@H+](CC3CCCCC3)CC2)cc(C)[nH+]1 ZINC000552939411 434873576 /nfs/dbraw/zinc/87/35/76/434873576.db2.gz KNLFLSGTBDFEIY-UHFFFAOYSA-N 2 2 316.493 3.440 20 0 DGADLP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000552920901 434874467 /nfs/dbraw/zinc/87/44/67/434874467.db2.gz QDECNBQGRBATFM-SAABIXHNSA-N 2 2 322.880 3.198 20 0 DGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000638121303 434957468 /nfs/dbraw/zinc/95/74/68/434957468.db2.gz IDSLYASXOYXHKZ-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(OC)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000638121303 434957470 /nfs/dbraw/zinc/95/74/70/434957470.db2.gz IDSLYASXOYXHKZ-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000555254577 434967449 /nfs/dbraw/zinc/96/74/49/434967449.db2.gz MKUYZPKHHNNNNG-DLBZAZTESA-N 2 2 308.853 3.071 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCN(c2ccccc2)C1 ZINC000638166851 434969071 /nfs/dbraw/zinc/96/90/71/434969071.db2.gz IEYKGNXBJGBTPB-RLLQIKCJSA-N 2 2 313.489 3.072 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCN(c2ccccc2)C1 ZINC000638166851 434969075 /nfs/dbraw/zinc/96/90/75/434969075.db2.gz IEYKGNXBJGBTPB-RLLQIKCJSA-N 2 2 313.489 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCN(c2ccccc2)C1 ZINC000638166851 434969079 /nfs/dbraw/zinc/96/90/79/434969079.db2.gz IEYKGNXBJGBTPB-RLLQIKCJSA-N 2 2 313.489 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCN(c2ccccc2)C1 ZINC000638166851 434969082 /nfs/dbraw/zinc/96/90/82/434969082.db2.gz IEYKGNXBJGBTPB-RLLQIKCJSA-N 2 2 313.489 3.072 20 0 DGADLP c1cn(C2CC[NH+](C[C@H]3CCN(c4ccccc4)C3)CC2)c[nH+]1 ZINC000637982905 434922924 /nfs/dbraw/zinc/92/29/24/434922924.db2.gz IAPWVEJYKKCQEJ-QGZVFWFLSA-N 2 2 310.445 3.047 20 0 DGADLP Cc1ccc(N2CCC(Nc3cc[nH+]c4ccccc34)CC2)[nH+]c1 ZINC000462853789 434933944 /nfs/dbraw/zinc/93/39/44/434933944.db2.gz PKDKHCAABBAPIT-UHFFFAOYSA-N 2 2 318.424 3.441 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCCC2 ZINC000556610074 435014375 /nfs/dbraw/zinc/01/43/75/435014375.db2.gz XTOPYDALVAOWOQ-SJORKVTESA-N 2 2 317.477 3.437 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CS1 ZINC000638385985 435019895 /nfs/dbraw/zinc/01/98/95/435019895.db2.gz NFFIHADTVYYQNO-CXAGYDPISA-N 2 2 308.466 3.274 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000638288122 434997533 /nfs/dbraw/zinc/99/75/33/434997533.db2.gz ZVXSQOHZLQFJEF-NKELODKYSA-N 2 2 302.462 3.228 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@H](c3cccs3)[NH+]3CCCC3)C2)c1 ZINC000638287969 434997736 /nfs/dbraw/zinc/99/77/36/434997736.db2.gz YICXBWVKPDXCPM-UYSNPLJNSA-N 2 2 316.474 3.075 20 0 DGADLP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000638293226 434998061 /nfs/dbraw/zinc/99/80/61/434998061.db2.gz KQUJIJSNXLMQQZ-CQSZACIVSA-N 2 2 314.433 3.153 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@@H](c3cccs3)[NH+]3CCCC3)C2)c1 ZINC000638287968 434998485 /nfs/dbraw/zinc/99/84/85/434998485.db2.gz YICXBWVKPDXCPM-GPANFISMSA-N 2 2 316.474 3.075 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cccc(F)c1N ZINC000638298421 434999404 /nfs/dbraw/zinc/99/94/04/434999404.db2.gz PYDPTIAJRAEBCC-UHFFFAOYSA-N 2 2 312.392 3.246 20 0 DGADLP CC[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000638335727 435006276 /nfs/dbraw/zinc/00/62/76/435006276.db2.gz MKFDDEVZKALUCC-IOJLRTSASA-N 2 2 324.472 3.013 20 0 DGADLP CC[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCc2ccccc2C1 ZINC000638335727 435006279 /nfs/dbraw/zinc/00/62/79/435006279.db2.gz MKFDDEVZKALUCC-IOJLRTSASA-N 2 2 324.472 3.013 20 0 DGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)OC ZINC000638342729 435009381 /nfs/dbraw/zinc/00/93/81/435009381.db2.gz NYGZRVFZUSUJAC-QAPCUYQASA-N 2 2 301.434 3.082 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492889741 435066931 /nfs/dbraw/zinc/06/69/31/435066931.db2.gz BDHKZLDSELPHBA-FJVVXJACSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492889741 435066935 /nfs/dbraw/zinc/06/69/35/435066935.db2.gz BDHKZLDSELPHBA-FJVVXJACSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677204 435069309 /nfs/dbraw/zinc/06/93/09/435069309.db2.gz AQXPLWCDKHSRTD-ZAAXVRCTSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1cnn(C)c1 ZINC000638677204 435069311 /nfs/dbraw/zinc/06/93/11/435069311.db2.gz AQXPLWCDKHSRTD-ZAAXVRCTSA-N 2 2 324.472 3.439 20 0 DGADLP CC[C@@](C)(C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000638697474 435073301 /nfs/dbraw/zinc/07/33/01/435073301.db2.gz DFHVHWDWMBNSMD-WMZOPIPTSA-N 2 2 301.434 3.109 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC1(F)F ZINC000638777887 435088058 /nfs/dbraw/zinc/08/80/58/435088058.db2.gz MJTGOKBEHVSLII-WFASDCNBSA-N 2 2 324.419 3.068 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)Cc1c[nH+]c2c(C)cccn12 ZINC000557524573 435055852 /nfs/dbraw/zinc/05/58/52/435055852.db2.gz BJMNEIIDVCXLJA-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3c2cccc3Cl)C[C@@H](C)O1 ZINC000532197346 435146226 /nfs/dbraw/zinc/14/62/26/435146226.db2.gz LDSVHESUPQJKOF-HBUWYVDXSA-N 2 2 322.880 3.416 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000532203560 435148393 /nfs/dbraw/zinc/14/83/93/435148393.db2.gz DKDCISKHZKZDLG-QZTJIDSGSA-N 2 2 304.478 3.311 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000532203560 435148397 /nfs/dbraw/zinc/14/83/97/435148397.db2.gz DKDCISKHZKZDLG-QZTJIDSGSA-N 2 2 304.478 3.311 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@@H+]1C ZINC000532219402 435149231 /nfs/dbraw/zinc/14/92/31/435149231.db2.gz VLMWPCJAVHRZCY-DOTOQJQBSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@H+]1C ZINC000532219402 435149235 /nfs/dbraw/zinc/14/92/35/435149235.db2.gz VLMWPCJAVHRZCY-DOTOQJQBSA-N 2 2 317.477 3.365 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000578764026 435107021 /nfs/dbraw/zinc/10/70/21/435107021.db2.gz WFYGYZQOQVOMOU-QGZVFWFLSA-N 2 2 316.470 3.488 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000531684729 435109258 /nfs/dbraw/zinc/10/92/58/435109258.db2.gz ZIXVJVMAYOWTRP-HNNXBMFYSA-N 2 2 317.433 3.340 20 0 DGADLP CO[C@@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737524 435109856 /nfs/dbraw/zinc/10/98/56/435109856.db2.gz CQGVRHSEEPBCHJ-DZFGPLHGSA-N 2 2 324.468 3.279 20 0 DGADLP CO[C@@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737524 435109861 /nfs/dbraw/zinc/10/98/61/435109861.db2.gz CQGVRHSEEPBCHJ-DZFGPLHGSA-N 2 2 324.468 3.279 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917175 435116740 /nfs/dbraw/zinc/11/67/40/435116740.db2.gz AXGKBZPUMILNDS-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917175 435116744 /nfs/dbraw/zinc/11/67/44/435116744.db2.gz AXGKBZPUMILNDS-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917175 435116748 /nfs/dbraw/zinc/11/67/48/435116748.db2.gz AXGKBZPUMILNDS-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)[C@H]2C1 ZINC000638917175 435116751 /nfs/dbraw/zinc/11/67/51/435116751.db2.gz AXGKBZPUMILNDS-HOTGVXAUSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)nc1 ZINC000531954114 435128598 /nfs/dbraw/zinc/12/85/98/435128598.db2.gz HXDGQPXQVHHPHZ-UHFFFAOYSA-N 2 2 310.445 3.061 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)nc1 ZINC000531954114 435128602 /nfs/dbraw/zinc/12/86/02/435128602.db2.gz HXDGQPXQVHHPHZ-UHFFFAOYSA-N 2 2 310.445 3.061 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531950280 435128887 /nfs/dbraw/zinc/12/88/87/435128887.db2.gz DCHCPJMZSHIKKT-SOLBZPMBSA-N 2 2 302.462 3.143 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531950280 435128888 /nfs/dbraw/zinc/12/88/88/435128888.db2.gz DCHCPJMZSHIKKT-SOLBZPMBSA-N 2 2 302.462 3.143 20 0 DGADLP [NH3+]CCC[N@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1 ZINC000579108964 435132228 /nfs/dbraw/zinc/13/22/28/435132228.db2.gz MGECJIJWOMUKOJ-UHFFFAOYSA-N 2 2 301.459 3.372 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1cnc(C2CC2)s1)Cc1ccccc1 ZINC000579108964 435132232 /nfs/dbraw/zinc/13/22/32/435132232.db2.gz MGECJIJWOMUKOJ-UHFFFAOYSA-N 2 2 301.459 3.372 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000559736343 435136224 /nfs/dbraw/zinc/13/62/24/435136224.db2.gz LNVJIXLRCGPJFP-OKZBNKHCSA-N 2 2 324.509 3.353 20 0 DGADLP C1CCC([N@@H+]2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060884 435144652 /nfs/dbraw/zinc/14/46/52/435144652.db2.gz SAAUKVASQYCPQA-JFRXWTBNSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060884 435144656 /nfs/dbraw/zinc/14/46/56/435144656.db2.gz SAAUKVASQYCPQA-JFRXWTBNSA-N 2 2 306.494 3.188 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000579806696 435184337 /nfs/dbraw/zinc/18/43/37/435184337.db2.gz BLQXHPIJWQSVGK-UHFFFAOYSA-N 2 2 313.445 3.013 20 0 DGADLP CCC[C@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639180346 435186539 /nfs/dbraw/zinc/18/65/39/435186539.db2.gz XURPBPLJSLUIJL-LJQANCHMSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639180346 435186541 /nfs/dbraw/zinc/18/65/41/435186541.db2.gz XURPBPLJSLUIJL-LJQANCHMSA-N 2 2 304.478 3.398 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779163 435191108 /nfs/dbraw/zinc/19/11/08/435191108.db2.gz LOCYOWDNSYXVOS-TZMCWYRMSA-N 2 2 311.857 3.048 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779163 435191113 /nfs/dbraw/zinc/19/11/13/435191113.db2.gz LOCYOWDNSYXVOS-TZMCWYRMSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779163 435191115 /nfs/dbraw/zinc/19/11/15/435191115.db2.gz LOCYOWDNSYXVOS-TZMCWYRMSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@H]1C ZINC000532779163 435191119 /nfs/dbraw/zinc/19/11/19/435191119.db2.gz LOCYOWDNSYXVOS-TZMCWYRMSA-N 2 2 311.857 3.048 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2N)CC[N@@H+]1Cc1ccccc1 ZINC000639188118 435192101 /nfs/dbraw/zinc/19/21/01/435192101.db2.gz QNJKPWPWPVGYRG-KBXCAEBGSA-N 2 2 313.420 3.161 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2N)CC[N@H+]1Cc1ccccc1 ZINC000639188118 435192105 /nfs/dbraw/zinc/19/21/05/435192105.db2.gz QNJKPWPWPVGYRG-KBXCAEBGSA-N 2 2 313.420 3.161 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)co2)c1 ZINC000579941910 435193864 /nfs/dbraw/zinc/19/38/64/435193864.db2.gz MAQPATDDFARKMI-QLFBSQMISA-N 2 2 317.458 3.413 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878768 435197000 /nfs/dbraw/zinc/19/70/00/435197000.db2.gz UIOBNBYLDSCXMW-KXBFYZLASA-N 2 2 314.473 3.320 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878768 435197001 /nfs/dbraw/zinc/19/70/01/435197001.db2.gz UIOBNBYLDSCXMW-KXBFYZLASA-N 2 2 314.473 3.320 20 0 DGADLP CO[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000639215770 435202613 /nfs/dbraw/zinc/20/26/13/435202613.db2.gz GVHDFJRXVAPOLN-MRXNPFEDSA-N 2 2 305.809 3.040 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000532248839 435152059 /nfs/dbraw/zinc/15/20/59/435152059.db2.gz DVTQXDQZUKTULB-YYWHXJBOSA-N 2 2 324.468 3.139 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000532248839 435152064 /nfs/dbraw/zinc/15/20/64/435152064.db2.gz DVTQXDQZUKTULB-YYWHXJBOSA-N 2 2 324.468 3.139 20 0 DGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000560258294 435158185 /nfs/dbraw/zinc/15/81/85/435158185.db2.gz VNJUKBXAKFQRNQ-GJZGRUSLSA-N 2 2 300.368 3.493 20 0 DGADLP Oc1cccnc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120382 435162366 /nfs/dbraw/zinc/16/23/66/435162366.db2.gz QUUOKONGMIOWBT-LPHOPBHVSA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cccnc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120382 435162370 /nfs/dbraw/zinc/16/23/70/435162370.db2.gz QUUOKONGMIOWBT-LPHOPBHVSA-N 2 2 323.440 3.245 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000474802825 435162417 /nfs/dbraw/zinc/16/24/17/435162417.db2.gz UCQQPMVEEVRDHO-MSOLQXFVSA-N 2 2 306.519 3.453 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000639119356 435162440 /nfs/dbraw/zinc/16/24/40/435162440.db2.gz AKHYHFAKZVMQGN-AZVOEMOISA-N 2 2 322.440 3.275 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474925856 435166704 /nfs/dbraw/zinc/16/67/04/435166704.db2.gz JKBWNJCYPSGHDJ-FRYIKTPZSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474925856 435166706 /nfs/dbraw/zinc/16/67/06/435166706.db2.gz JKBWNJCYPSGHDJ-FRYIKTPZSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)(C)c1ncc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cn1 ZINC000560459782 435170407 /nfs/dbraw/zinc/17/04/07/435170407.db2.gz CULCDUFWDBQPJX-UHFFFAOYSA-N 2 2 322.416 3.026 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000532532231 435173586 /nfs/dbraw/zinc/17/35/86/435173586.db2.gz TVQNUJRXLZLYPA-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(Br)cc1 ZINC000532532231 435173589 /nfs/dbraw/zinc/17/35/89/435173589.db2.gz TVQNUJRXLZLYPA-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]CC2CCSCC2)cc1 ZINC000639149577 435173943 /nfs/dbraw/zinc/17/39/43/435173943.db2.gz NDWWHYBUOAEHHH-KRWDZBQOSA-N 2 2 308.491 3.031 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[NH+](C4CCCCC4)CC3)cn2c1 ZINC000532538507 435176179 /nfs/dbraw/zinc/17/61/79/435176179.db2.gz PGPQAORBWVWFIV-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000561971962 435243853 /nfs/dbraw/zinc/24/38/53/435243853.db2.gz VQXQSCSSHCMBLZ-UHFFFAOYSA-N 2 2 306.450 3.025 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000561971962 435243857 /nfs/dbraw/zinc/24/38/57/435243857.db2.gz VQXQSCSSHCMBLZ-UHFFFAOYSA-N 2 2 306.450 3.025 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000639304158 435236848 /nfs/dbraw/zinc/23/68/48/435236848.db2.gz YQDSEYVYXLWPQV-YZGWKJHDSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000639304158 435236856 /nfs/dbraw/zinc/23/68/56/435236856.db2.gz YQDSEYVYXLWPQV-YZGWKJHDSA-N 2 2 313.489 3.119 20 0 DGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000639327750 435248062 /nfs/dbraw/zinc/24/80/62/435248062.db2.gz MKTCFAGGYVDEEN-ZHALLVOQSA-N 2 2 306.494 3.354 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643061707 435264859 /nfs/dbraw/zinc/26/48/59/435264859.db2.gz JZPCFINCOUBKAV-ZWKOTPCHSA-N 2 2 320.502 3.394 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643061707 435264862 /nfs/dbraw/zinc/26/48/62/435264862.db2.gz JZPCFINCOUBKAV-ZWKOTPCHSA-N 2 2 320.502 3.394 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000639376665 435274506 /nfs/dbraw/zinc/27/45/06/435274506.db2.gz TVJRTYFXTHTULO-UHFFFAOYSA-N 2 2 318.509 3.479 20 0 DGADLP Nc1cc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000564964664 435275141 /nfs/dbraw/zinc/27/51/41/435275141.db2.gz CCVXLHFAAQQJEY-KRWDZBQOSA-N 2 2 313.470 3.562 20 0 DGADLP Nc1cc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000564964664 435275147 /nfs/dbraw/zinc/27/51/47/435275147.db2.gz CCVXLHFAAQQJEY-KRWDZBQOSA-N 2 2 313.470 3.562 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648377000 435280013 /nfs/dbraw/zinc/28/00/13/435280013.db2.gz VPFYGGXXPUEUPN-FZMZJTMJSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648377000 435280018 /nfs/dbraw/zinc/28/00/18/435280018.db2.gz VPFYGGXXPUEUPN-FZMZJTMJSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648377000 435280023 /nfs/dbraw/zinc/28/00/23/435280023.db2.gz VPFYGGXXPUEUPN-FZMZJTMJSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648377000 435280030 /nfs/dbraw/zinc/28/00/30/435280030.db2.gz VPFYGGXXPUEUPN-FZMZJTMJSA-N 2 2 307.825 3.396 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccccc2)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639396864 435284485 /nfs/dbraw/zinc/28/44/85/435284485.db2.gz KRIPCMACRZYMAN-QGZVFWFLSA-N 2 2 313.470 3.336 20 0 DGADLP CCCOc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1OC ZINC000639395512 435284654 /nfs/dbraw/zinc/28/46/54/435284654.db2.gz AZWZCYGMJHQBIR-KRWDZBQOSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1OC ZINC000639395512 435284657 /nfs/dbraw/zinc/28/46/57/435284657.db2.gz AZWZCYGMJHQBIR-KRWDZBQOSA-N 2 2 318.461 3.010 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000643253089 435284755 /nfs/dbraw/zinc/28/47/55/435284755.db2.gz GZYCAHCJDFIPME-HXUWFJFHSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000643253089 435284758 /nfs/dbraw/zinc/28/47/58/435284758.db2.gz GZYCAHCJDFIPME-HXUWFJFHSA-N 2 2 314.473 3.141 20 0 DGADLP CCCOc1cc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639398528 435285152 /nfs/dbraw/zinc/28/51/52/435285152.db2.gz QKDWNYBSQRDLMY-QGZVFWFLSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1OC ZINC000639398528 435285157 /nfs/dbraw/zinc/28/51/57/435285157.db2.gz QKDWNYBSQRDLMY-QGZVFWFLSA-N 2 2 318.461 3.010 20 0 DGADLP CC[N@H+](Cc1ccoc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643250025 435285649 /nfs/dbraw/zinc/28/56/49/435285649.db2.gz YCMMRJQAUMAETD-UHFFFAOYSA-N 2 2 314.429 3.134 20 0 DGADLP CC[N@@H+](Cc1ccoc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643250025 435285653 /nfs/dbraw/zinc/28/56/53/435285653.db2.gz YCMMRJQAUMAETD-UHFFFAOYSA-N 2 2 314.429 3.134 20 0 DGADLP C[C@H](c1cccc2ccccc21)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000534846810 435301616 /nfs/dbraw/zinc/30/16/16/435301616.db2.gz QLJUIZNMKDPTJI-MRXNPFEDSA-N 2 2 320.440 3.457 20 0 DGADLP Cc1noc([C@@H]2CCC[N@H+](Cc3c(C)cc(C)[nH+]c3C)C2)n1 ZINC000639459091 435304127 /nfs/dbraw/zinc/30/41/27/435304127.db2.gz FMDMTTXQXQWDNC-OAHLLOKOSA-N 2 2 300.406 3.078 20 0 DGADLP Cc1noc([C@@H]2CCC[N@@H+](Cc3c(C)cc(C)[nH+]c3C)C2)n1 ZINC000639459091 435304132 /nfs/dbraw/zinc/30/41/32/435304132.db2.gz FMDMTTXQXQWDNC-OAHLLOKOSA-N 2 2 300.406 3.078 20 0 DGADLP Cc1cccc2c1cc[nH+]c2N1CC[NH+](Cc2ccco2)CC1 ZINC000567347717 435308164 /nfs/dbraw/zinc/30/81/64/435308164.db2.gz FDFLMLANCGTLPZ-UHFFFAOYSA-N 2 2 307.397 3.458 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](CCCO)C1CC1 ZINC000643371605 435319707 /nfs/dbraw/zinc/31/97/07/435319707.db2.gz SOKGWAACAUJXJI-UHFFFAOYSA-N 2 2 315.461 3.362 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](CCCO)C1CC1 ZINC000643371605 435319710 /nfs/dbraw/zinc/31/97/10/435319710.db2.gz SOKGWAACAUJXJI-UHFFFAOYSA-N 2 2 315.461 3.362 20 0 DGADLP CC[N@H+](C[C@@H]1CCO[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504042 435325105 /nfs/dbraw/zinc/32/51/05/435325105.db2.gz PKMQUPRRZOFKDW-AEFFLSMTSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](C[C@@H]1CCO[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504042 435325107 /nfs/dbraw/zinc/32/51/07/435325107.db2.gz PKMQUPRRZOFKDW-AEFFLSMTSA-N 2 2 317.477 3.045 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1OCC ZINC000643501026 435336776 /nfs/dbraw/zinc/33/67/76/435336776.db2.gz QCNVUSWQLZIBHF-GOEBONIOSA-N 2 2 306.450 3.277 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000643501149 435337143 /nfs/dbraw/zinc/33/71/43/435337143.db2.gz XQSFCELNYGHLPD-NWDGAFQWSA-N 2 2 302.340 3.378 20 0 DGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643501877 435338790 /nfs/dbraw/zinc/33/87/90/435338790.db2.gz RMYAFKPKWGAZSJ-WMLDXEAASA-N 2 2 318.465 3.009 20 0 DGADLP Brc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507340 435339504 /nfs/dbraw/zinc/33/95/04/435339504.db2.gz ZZOPMWHBTXILCX-HNNXBMFYSA-N 2 2 309.251 3.242 20 0 DGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000643507729 435339553 /nfs/dbraw/zinc/33/95/53/435339553.db2.gz NVHAEWZDMQGDQZ-AWEZNQCLSA-N 2 2 302.340 3.378 20 0 DGADLP [NH3+]C[C@H]1CC[C@H](Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CC1 ZINC000567673783 435339622 /nfs/dbraw/zinc/33/96/22/435339622.db2.gz IAUHOTSGCXVSHG-XYPYZODXSA-N 2 2 312.339 3.215 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000643505879 435339705 /nfs/dbraw/zinc/33/97/05/435339705.db2.gz CFOXIJJCIPGIDW-QMTHXVAHSA-N 2 2 309.251 3.339 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000643527586 435344991 /nfs/dbraw/zinc/34/49/91/435344991.db2.gz OUWZVRWTJQWTAJ-LRDDRELGSA-N 2 2 319.246 3.475 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538642 435349434 /nfs/dbraw/zinc/34/94/34/435349434.db2.gz QKRSTHYFJOQZNZ-GDZNZVCISA-N 2 2 301.409 3.143 20 0 DGADLP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000512254344 435351972 /nfs/dbraw/zinc/35/19/72/435351972.db2.gz VCUFCHQYRJKRCB-YTWOYLGCSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000512254344 435351973 /nfs/dbraw/zinc/35/19/73/435351973.db2.gz VCUFCHQYRJKRCB-YTWOYLGCSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000512254344 435351978 /nfs/dbraw/zinc/35/19/78/435351978.db2.gz VCUFCHQYRJKRCB-YTWOYLGCSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000512254344 435351983 /nfs/dbraw/zinc/35/19/83/435351983.db2.gz VCUFCHQYRJKRCB-YTWOYLGCSA-N 2 2 314.473 3.262 20 0 DGADLP CC1(C)CO[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000639582549 435355246 /nfs/dbraw/zinc/35/52/46/435355246.db2.gz HJQFAOCWQWYAJQ-QGZVFWFLSA-N 2 2 305.466 3.190 20 0 DGADLP C[C@@H]([NH2+]CC(=O)c1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581816 435355356 /nfs/dbraw/zinc/35/53/56/435355356.db2.gz YZAIKFMUBXFJHK-CABCVRRESA-N 2 2 318.436 3.251 20 0 DGADLP C[C@@H]([NH2+]CC(=O)c1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581816 435355360 /nfs/dbraw/zinc/35/53/60/435355360.db2.gz YZAIKFMUBXFJHK-CABCVRRESA-N 2 2 318.436 3.251 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000480035971 435363334 /nfs/dbraw/zinc/36/33/34/435363334.db2.gz GIQNQGIRMVKQOX-HUUCEWRRSA-N 2 2 310.507 3.318 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000480048545 435363449 /nfs/dbraw/zinc/36/34/49/435363449.db2.gz NNHXFVZUIJLECQ-FUHWJXTLSA-N 2 2 322.880 3.274 20 0 DGADLP CC(C)c1nnc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC000567355047 435311134 /nfs/dbraw/zinc/31/11/34/435311134.db2.gz VRNPPFREZZJBHG-CQSZACIVSA-N 2 2 319.497 3.376 20 0 DGADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000639472882 435312599 /nfs/dbraw/zinc/31/25/99/435312599.db2.gz BYNNZTBCCCCNKP-UHFFFAOYSA-N 2 2 306.425 3.061 20 0 DGADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000639472882 435312604 /nfs/dbraw/zinc/31/26/04/435312604.db2.gz BYNNZTBCCCCNKP-UHFFFAOYSA-N 2 2 306.425 3.061 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)c1 ZINC000514117970 435412051 /nfs/dbraw/zinc/41/20/51/435412051.db2.gz CXXWYJICFPMPRR-HNNXBMFYSA-N 2 2 309.404 3.338 20 0 DGADLP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481310390 435419448 /nfs/dbraw/zinc/41/94/48/435419448.db2.gz JSFTYHWVNSTDRY-IRXDYDNUSA-N 2 2 316.489 3.433 20 0 DGADLP CC(C)n1cncc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000643766490 435366985 /nfs/dbraw/zinc/36/69/85/435366985.db2.gz GIEVLOFELHQAIO-SFHVURJKSA-N 2 2 323.444 3.271 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000480220630 435369266 /nfs/dbraw/zinc/36/92/66/435369266.db2.gz DGCAUUOZLCUQQO-ULQDDVLXSA-N 2 2 304.478 3.399 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c(C)[nH+]1 ZINC000639619523 435369788 /nfs/dbraw/zinc/36/97/88/435369788.db2.gz FAILVIOZVBCXTA-GOSISDBHSA-N 2 2 311.429 3.193 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c(C)[nH+]1 ZINC000639619523 435369794 /nfs/dbraw/zinc/36/97/94/435369794.db2.gz FAILVIOZVBCXTA-GOSISDBHSA-N 2 2 311.429 3.193 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)C(C)C)CC2)c1 ZINC000480246433 435371938 /nfs/dbraw/zinc/37/19/38/435371938.db2.gz KXJCKGQKPWZTEP-SFHVURJKSA-N 2 2 303.494 3.141 20 0 DGADLP CCOC1CC(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000643889368 435379274 /nfs/dbraw/zinc/37/92/74/435379274.db2.gz YKOWGQLDCQXPMJ-MDCZIUGASA-N 2 2 317.477 3.012 20 0 DGADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000513361823 435383915 /nfs/dbraw/zinc/38/39/15/435383915.db2.gz PNXFWRONKOSEFB-NHZBNJEXSA-N 2 2 322.880 3.130 20 0 DGADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000513361823 435383919 /nfs/dbraw/zinc/38/39/19/435383919.db2.gz PNXFWRONKOSEFB-NHZBNJEXSA-N 2 2 322.880 3.130 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701422 435390464 /nfs/dbraw/zinc/39/04/64/435390464.db2.gz ZNNCRBNPFXZPIA-SJLPKXTDSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701422 435390467 /nfs/dbraw/zinc/39/04/67/435390467.db2.gz ZNNCRBNPFXZPIA-SJLPKXTDSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701421 435391203 /nfs/dbraw/zinc/39/12/03/435391203.db2.gz ZNNCRBNPFXZPIA-FUHWJXTLSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648701421 435391209 /nfs/dbraw/zinc/39/12/09/435391209.db2.gz ZNNCRBNPFXZPIA-FUHWJXTLSA-N 2 2 304.478 3.180 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000639796497 435423809 /nfs/dbraw/zinc/42/38/09/435423809.db2.gz TYQIJLUUNLUNBX-DYVFJYSZSA-N 2 2 318.465 3.283 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000480793398 435395636 /nfs/dbraw/zinc/39/56/36/435395636.db2.gz DUWSZRINUQPZBS-LPHOPBHVSA-N 2 2 322.468 3.237 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000644528670 435449038 /nfs/dbraw/zinc/44/90/38/435449038.db2.gz LLYZJOPYZFOLRL-IUODEOHRSA-N 2 2 318.383 3.059 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000514971703 435451569 /nfs/dbraw/zinc/45/15/69/435451569.db2.gz CGBGPNKNYBZSJU-KDOFPFPSSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000514971703 435451573 /nfs/dbraw/zinc/45/15/73/435451573.db2.gz CGBGPNKNYBZSJU-KDOFPFPSSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000514971703 435451580 /nfs/dbraw/zinc/45/15/80/435451580.db2.gz CGBGPNKNYBZSJU-KDOFPFPSSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000514971703 435451583 /nfs/dbraw/zinc/45/15/83/435451583.db2.gz CGBGPNKNYBZSJU-KDOFPFPSSA-N 2 2 313.445 3.015 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccc(Cl)cc1)CC2 ZINC000538097884 435480712 /nfs/dbraw/zinc/48/07/12/435480712.db2.gz VDMNAFWGLLAHTD-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](CCOc1ccc(Cl)cc1)CC2 ZINC000538097884 435480714 /nfs/dbraw/zinc/48/07/14/435480714.db2.gz VDMNAFWGLLAHTD-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[NH2+]CCC[NH+]1CCC1 ZINC000568648393 435458755 /nfs/dbraw/zinc/45/87/55/435458755.db2.gz WWWMXFPAJCXMPB-UHFFFAOYSA-N 2 2 307.869 3.126 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000483532434 435525416 /nfs/dbraw/zinc/52/54/16/435525416.db2.gz OKTIBAOTVQYVKN-ZWKOTPCHSA-N 2 2 317.477 3.107 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000569735254 435557785 /nfs/dbraw/zinc/55/77/85/435557785.db2.gz QBTFHBHBFUNILY-ZWKOTPCHSA-N 2 2 309.542 3.207 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](CCC1CCCC1)C(C)(C)C ZINC000569735254 435557790 /nfs/dbraw/zinc/55/77/90/435557790.db2.gz QBTFHBHBFUNILY-ZWKOTPCHSA-N 2 2 309.542 3.207 20 0 DGADLP CC[C@H](C)[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539691105 435562613 /nfs/dbraw/zinc/56/26/13/435562613.db2.gz GLQLFTBUANIPFP-LSDHHAIUSA-N 2 2 304.482 3.459 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCc3ccc(N4CCCC4)[nH+]c3)c2c1C ZINC000645117150 435569953 /nfs/dbraw/zinc/56/99/53/435569953.db2.gz IFQCXCUYPKLZGA-UHFFFAOYSA-N 2 2 322.416 3.182 20 0 DGADLP Cc1cccc2c1cc[nH+]c2NCCc1cn2c([nH+]1)CCCC2 ZINC000645116704 435570741 /nfs/dbraw/zinc/57/07/41/435570741.db2.gz FGQHFAIYJRDBKN-UHFFFAOYSA-N 2 2 306.413 3.731 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000569936697 435573495 /nfs/dbraw/zinc/57/34/95/435573495.db2.gz CULWZQJOZGOZOJ-QGZVFWFLSA-N 2 2 322.880 3.152 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569972369 435577696 /nfs/dbraw/zinc/57/76/96/435577696.db2.gz ZOZZPODQGLOFLS-OLZOCXBDSA-N 2 2 313.272 3.467 20 0 DGADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569972369 435577698 /nfs/dbraw/zinc/57/76/98/435577698.db2.gz ZOZZPODQGLOFLS-OLZOCXBDSA-N 2 2 313.272 3.467 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649413686 435579452 /nfs/dbraw/zinc/57/94/52/435579452.db2.gz ZJHIMQCICYQGEK-QAPCUYQASA-N 2 2 312.461 3.364 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649413686 435579457 /nfs/dbraw/zinc/57/94/57/435579457.db2.gz ZJHIMQCICYQGEK-QAPCUYQASA-N 2 2 312.461 3.364 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414927 435583646 /nfs/dbraw/zinc/58/36/46/435583646.db2.gz AECOAFMRXACKRK-CJNGLKHVSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414927 435583651 /nfs/dbraw/zinc/58/36/51/435583651.db2.gz AECOAFMRXACKRK-CJNGLKHVSA-N 2 2 317.458 3.367 20 0 DGADLP CCC(C)(C)[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000517229833 435585015 /nfs/dbraw/zinc/58/50/15/435585015.db2.gz KHGUSMUDLALQMV-QGZVFWFLSA-N 3 2 317.521 3.394 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C12CCCCC2 ZINC000539124299 435541038 /nfs/dbraw/zinc/54/10/38/435541038.db2.gz OZZDUARGPXTSGR-LEUOFYLZSA-N 2 2 306.494 3.187 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C12CCCCC2 ZINC000539124299 435541042 /nfs/dbraw/zinc/54/10/42/435541042.db2.gz OZZDUARGPXTSGR-LEUOFYLZSA-N 2 2 306.494 3.187 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)c[nH+]1 ZINC000644921774 435541481 /nfs/dbraw/zinc/54/14/81/435541481.db2.gz FPJIGBROLJKANE-KRWDZBQOSA-N 2 2 319.412 3.177 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)c[nH+]1 ZINC000644921774 435541485 /nfs/dbraw/zinc/54/14/85/435541485.db2.gz FPJIGBROLJKANE-KRWDZBQOSA-N 2 2 319.412 3.177 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(CC)CC ZINC000540595296 435610707 /nfs/dbraw/zinc/61/07/07/435610707.db2.gz YMIBYGWWZGYPAV-DLBZAZTESA-N 2 2 315.461 3.450 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@H](CC(C)C)C3)c[nH+]c12 ZINC000540734393 435615551 /nfs/dbraw/zinc/61/55/51/435615551.db2.gz KTFCQIDFXJNOLD-DOTOQJQBSA-N 2 2 301.434 3.326 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000486931164 435622770 /nfs/dbraw/zinc/62/27/70/435622770.db2.gz ANSWQQVUTBNMTC-OWOJBTEDSA-N 2 2 304.397 3.129 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[N@@H+]1CCCC[C@H]1C ZINC000570474884 435623237 /nfs/dbraw/zinc/62/32/37/435623237.db2.gz LRCJLORIVLBTEY-BRSBDYLESA-N 2 2 318.509 3.299 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[N@H+]1CCCC[C@H]1C ZINC000570474884 435623240 /nfs/dbraw/zinc/62/32/40/435623240.db2.gz LRCJLORIVLBTEY-BRSBDYLESA-N 2 2 318.509 3.299 20 0 DGADLP CC[C@H](OCC[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000649570742 435628091 /nfs/dbraw/zinc/62/80/91/435628091.db2.gz MMVMGUBWSBNBIX-SFHVURJKSA-N 2 2 301.434 3.373 20 0 DGADLP CC[C@H](OCC[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000649570742 435628095 /nfs/dbraw/zinc/62/80/95/435628095.db2.gz MMVMGUBWSBNBIX-SFHVURJKSA-N 2 2 301.434 3.373 20 0 DGADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000570538447 435628833 /nfs/dbraw/zinc/62/88/33/435628833.db2.gz REGGVAMRVGFSFD-JQHSSLGASA-N 2 2 304.434 3.130 20 0 DGADLP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000570538447 435628837 /nfs/dbraw/zinc/62/88/37/435628837.db2.gz REGGVAMRVGFSFD-JQHSSLGASA-N 2 2 304.434 3.130 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000649574563 435629752 /nfs/dbraw/zinc/62/97/52/435629752.db2.gz OFLNVBPCHQOFSE-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000649574563 435629756 /nfs/dbraw/zinc/62/97/56/435629756.db2.gz OFLNVBPCHQOFSE-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC(C)C ZINC000649574341 435630013 /nfs/dbraw/zinc/63/00/13/435630013.db2.gz HXYPZGQPQWNUDF-GDBMZVCRSA-N 2 2 306.450 3.227 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC(C)C ZINC000649574341 435630017 /nfs/dbraw/zinc/63/00/17/435630017.db2.gz HXYPZGQPQWNUDF-GDBMZVCRSA-N 2 2 306.450 3.227 20 0 DGADLP C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570145638 435592912 /nfs/dbraw/zinc/59/29/12/435592912.db2.gz AGPKZZLVEZMJQD-HNNXBMFYSA-N 2 2 316.474 3.103 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(C2CCC2)no1 ZINC000640534227 435597455 /nfs/dbraw/zinc/59/74/55/435597455.db2.gz NYNSXOXZTYVQCT-UHFFFAOYSA-N 2 2 306.454 3.035 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(C2CCC2)no1 ZINC000640534227 435597459 /nfs/dbraw/zinc/59/74/59/435597459.db2.gz NYNSXOXZTYVQCT-UHFFFAOYSA-N 2 2 306.454 3.035 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)[C@H]1CCC[NH2+]1 ZINC000518514699 435642622 /nfs/dbraw/zinc/64/26/22/435642622.db2.gz MSURSHPAMWALDI-HNAYVOBHSA-N 2 2 314.429 3.227 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000570832066 435653530 /nfs/dbraw/zinc/65/35/30/435653530.db2.gz OUSWMAFQINJCRC-QZTJIDSGSA-N 2 2 323.440 3.312 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)ccn12 ZINC000570941167 435664100 /nfs/dbraw/zinc/66/41/00/435664100.db2.gz YTOBSFFIFRWLJS-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP Cc1[nH]c(CNC[C@H](c2cccs2)[NH+]2CCCC2)[nH+]c1C ZINC000518397846 435638980 /nfs/dbraw/zinc/63/89/80/435638980.db2.gz LUHOKEYNMQMVEG-CQSZACIVSA-N 2 2 304.463 3.015 20 0 DGADLP COc1cccc(CC[NH2+]CCCc2c[nH+]ccc2C)c1OC ZINC000571125618 435678874 /nfs/dbraw/zinc/67/88/74/435678874.db2.gz ATMXWBSIVFICJO-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP c1[nH+]c(-c2ccc(OCC[C@H]3CC[NH2+]C3)cc2)n2c1CCCC2 ZINC000519140424 435672087 /nfs/dbraw/zinc/67/20/87/435672087.db2.gz CICCFDLQNWZKFJ-OAHLLOKOSA-N 2 2 311.429 3.265 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000571134741 435679590 /nfs/dbraw/zinc/67/95/90/435679590.db2.gz PSUYOCBDGNURSC-ZDUSSCGKSA-N 2 2 309.417 3.253 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000571134741 435679596 /nfs/dbraw/zinc/67/95/96/435679596.db2.gz PSUYOCBDGNURSC-ZDUSSCGKSA-N 2 2 309.417 3.253 20 0 DGADLP Cc1c[nH+]ccc1CCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000645803784 435693927 /nfs/dbraw/zinc/69/39/27/435693927.db2.gz DOMHYHVQVNLLEW-UHFFFAOYSA-N 2 2 301.478 3.129 20 0 DGADLP CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000519693414 435699791 /nfs/dbraw/zinc/69/97/91/435699791.db2.gz PSDVBGQNMJKMLP-BZUAXINKSA-N 2 2 319.497 3.137 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655700865 435733165 /nfs/dbraw/zinc/73/31/65/435733165.db2.gz NGXABJIRFSUQFD-RHSMWYFYSA-N 2 2 320.502 3.312 20 0 DGADLP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655702001 435737918 /nfs/dbraw/zinc/73/79/18/435737918.db2.gz MVRUODMLGPQVEU-KSSFIOAISA-N 2 2 320.864 3.170 20 0 DGADLP C[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000641422401 435740123 /nfs/dbraw/zinc/74/01/23/435740123.db2.gz XLDBENQDWXFWJE-MAUKXSAKSA-N 2 2 311.429 3.039 20 0 DGADLP C[C@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000641422401 435740131 /nfs/dbraw/zinc/74/01/31/435740131.db2.gz XLDBENQDWXFWJE-MAUKXSAKSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655712008 435742391 /nfs/dbraw/zinc/74/23/91/435742391.db2.gz LDJJJEWEGDAITI-QFBILLFUSA-N 2 2 302.462 3.207 20 0 DGADLP Cc1ccc(C[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655710729 435744871 /nfs/dbraw/zinc/74/48/71/435744871.db2.gz DOGLFNQSIKIQAB-XLIONFOSSA-N 2 2 316.489 3.077 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000655719857 435747629 /nfs/dbraw/zinc/74/76/29/435747629.db2.gz YYAAYSLHCNOEDZ-CRAIPNDOSA-N 2 2 321.428 3.153 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452748 435749973 /nfs/dbraw/zinc/74/99/73/435749973.db2.gz YEZHXPZYSSHWJV-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452748 435749979 /nfs/dbraw/zinc/74/99/79/435749979.db2.gz YEZHXPZYSSHWJV-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452748 435749988 /nfs/dbraw/zinc/74/99/88/435749988.db2.gz YEZHXPZYSSHWJV-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000660452748 435749995 /nfs/dbraw/zinc/74/99/95/435749995.db2.gz YEZHXPZYSSHWJV-GOSISDBHSA-N 2 2 322.880 3.130 20 0 DGADLP c1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655723584 435750585 /nfs/dbraw/zinc/75/05/85/435750585.db2.gz LVGRMHNDNXUZOS-YZGWKJHDSA-N 2 2 314.473 3.166 20 0 DGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655720506 435751817 /nfs/dbraw/zinc/75/18/17/435751817.db2.gz YGSQRHDBLSCFTB-ICSRJNTNSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000655722668 435752004 /nfs/dbraw/zinc/75/20/04/435752004.db2.gz FXCPYXZVWRANEC-RHSMWYFYSA-N 2 2 306.425 3.038 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000571898537 435752794 /nfs/dbraw/zinc/75/27/94/435752794.db2.gz CKWNQMOJVMKMCJ-KRWDZBQOSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000571898537 435752797 /nfs/dbraw/zinc/75/27/97/435752797.db2.gz CKWNQMOJVMKMCJ-KRWDZBQOSA-N 2 2 310.869 3.095 20 0 DGADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccn1 ZINC000655732428 435758654 /nfs/dbraw/zinc/75/86/54/435758654.db2.gz BETANBKEYCWTMK-IEBWSBKVSA-N 2 2 317.477 3.012 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000571409314 435705709 /nfs/dbraw/zinc/70/57/09/435705709.db2.gz LGSCWTMPTPBXSU-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000571409314 435705713 /nfs/dbraw/zinc/70/57/13/435705713.db2.gz LGSCWTMPTPBXSU-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP c1cn(CCCC2CC[NH+](CCC[C@H]3CCOC3)CC2)c[nH+]1 ZINC000645853151 435706261 /nfs/dbraw/zinc/70/62/61/435706261.db2.gz WUQJTLQQKRCDKP-SFHVURJKSA-N 2 2 305.466 3.192 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000519772421 435707159 /nfs/dbraw/zinc/70/71/59/435707159.db2.gz UHRGIDXRASAOFB-BEFAXECRSA-N 2 2 323.440 3.250 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1C ZINC000519818535 435711918 /nfs/dbraw/zinc/71/19/18/435711918.db2.gz CGCGMQRXUSQZPW-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1C ZINC000519818535 435711921 /nfs/dbraw/zinc/71/19/21/435711921.db2.gz CGCGMQRXUSQZPW-KRWDZBQOSA-N 2 2 312.413 3.360 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649822133 435715834 /nfs/dbraw/zinc/71/58/34/435715834.db2.gz ZIAXWLTUGOVURX-INIZCTEOSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649822133 435715841 /nfs/dbraw/zinc/71/58/41/435715841.db2.gz ZIAXWLTUGOVURX-INIZCTEOSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655738558 435762306 /nfs/dbraw/zinc/76/23/06/435762306.db2.gz XRHBPBOURCJHGT-QUCCMNQESA-N 2 2 314.473 3.215 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000651690345 435793750 /nfs/dbraw/zinc/79/37/50/435793750.db2.gz BAWGOAQAHKMHDT-MRXNPFEDSA-N 2 2 323.444 3.112 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC2CCC1CC2 ZINC000655780739 435794476 /nfs/dbraw/zinc/79/44/76/435794476.db2.gz GDYAMIJYCVBNTA-LDYSDITHSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550907443 435813470 /nfs/dbraw/zinc/81/34/70/435813470.db2.gz MCPQIZQLUYRVJL-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550907443 435813477 /nfs/dbraw/zinc/81/34/77/435813477.db2.gz MCPQIZQLUYRVJL-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000572338417 435813600 /nfs/dbraw/zinc/81/36/00/435813600.db2.gz XYGZRBQUYKNLJO-KBPBESRZSA-N 2 2 319.497 3.376 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473671 435764606 /nfs/dbraw/zinc/76/46/06/435764606.db2.gz SJQHVQCUDCXGAI-GDBMZVCRSA-N 2 2 324.415 3.213 20 0 DGADLP Fc1cccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655743181 435764662 /nfs/dbraw/zinc/76/46/62/435764662.db2.gz PCWDDYVORRLHDS-GOSISDBHSA-N 2 2 318.436 3.048 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn2c1CCCC2 ZINC000655743508 435765973 /nfs/dbraw/zinc/76/59/73/435765973.db2.gz SJPIELRAQKPTNO-UHFFFAOYSA-N 2 2 316.493 3.106 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)[C@@H](C)C2 ZINC000655751278 435771629 /nfs/dbraw/zinc/77/16/29/435771629.db2.gz KKGFQEJHNAXFBS-ZAAXVRCTSA-N 2 2 314.473 3.071 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1conc1Cc1ccccc1)CCCC2 ZINC000549822982 435778444 /nfs/dbraw/zinc/77/84/44/435778444.db2.gz LKKBTOLQJVDUJD-UHFFFAOYSA-N 2 2 322.412 3.088 20 0 DGADLP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(-n3cc[nH+]c3)cc1)CCOCC2 ZINC000646099035 435781131 /nfs/dbraw/zinc/78/11/31/435781131.db2.gz WIGFCQNXPYPDAY-MRXNPFEDSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-n3cc[nH+]c3)cc1)CCOCC2 ZINC000646099035 435781136 /nfs/dbraw/zinc/78/11/36/435781136.db2.gz WIGFCQNXPYPDAY-MRXNPFEDSA-N 2 2 311.429 3.263 20 0 DGADLP COc1cc(OC)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000651669102 435784138 /nfs/dbraw/zinc/78/41/38/435784138.db2.gz FMYWYFWCFRZIAH-AWEZNQCLSA-N 2 2 324.440 3.197 20 0 DGADLP COc1cc(OC)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000651669102 435784141 /nfs/dbraw/zinc/78/41/41/435784141.db2.gz FMYWYFWCFRZIAH-AWEZNQCLSA-N 2 2 324.440 3.197 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848195 435838126 /nfs/dbraw/zinc/83/81/26/435838126.db2.gz GSMZNBWMHDGYGS-IPELMVKDSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848195 435838131 /nfs/dbraw/zinc/83/81/31/435838131.db2.gz GSMZNBWMHDGYGS-IPELMVKDSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655849911 435838364 /nfs/dbraw/zinc/83/83/64/435838364.db2.gz QUNXOBUPUQYPEL-BMGDILEWSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655849911 435838367 /nfs/dbraw/zinc/83/83/67/435838367.db2.gz QUNXOBUPUQYPEL-BMGDILEWSA-N 2 2 318.461 3.371 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849768 435839760 /nfs/dbraw/zinc/83/97/60/435839760.db2.gz YOCHVNKETAYAPD-BZSNNMDCSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849768 435839766 /nfs/dbraw/zinc/83/97/66/435839766.db2.gz YOCHVNKETAYAPD-BZSNNMDCSA-N 2 2 300.446 3.376 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000551536384 435839752 /nfs/dbraw/zinc/83/97/52/435839752.db2.gz LYTUDBYKBXCMAU-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000551536384 435839756 /nfs/dbraw/zinc/83/97/56/435839756.db2.gz LYTUDBYKBXCMAU-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849854 435840040 /nfs/dbraw/zinc/84/00/40/435840040.db2.gz ZNSRXLADQNNFKK-DUVNUKRYSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849854 435840043 /nfs/dbraw/zinc/84/00/43/435840043.db2.gz ZNSRXLADQNNFKK-DUVNUKRYSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849856 435841190 /nfs/dbraw/zinc/84/11/90/435841190.db2.gz ZNSRXLADQNNFKK-NOLJZWGESA-N 2 2 315.417 3.201 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849856 435841198 /nfs/dbraw/zinc/84/11/98/435841198.db2.gz ZNSRXLADQNNFKK-NOLJZWGESA-N 2 2 315.417 3.201 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1c(F)cccc1Cl)C2 ZINC000660658672 435843229 /nfs/dbraw/zinc/84/32/29/435843229.db2.gz ITGTWXXKJQHSEL-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1c(F)cccc1Cl)C2 ZINC000660658672 435843234 /nfs/dbraw/zinc/84/32/34/435843234.db2.gz ITGTWXXKJQHSEL-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1c(F)cccc1Cl)C2 ZINC000660658672 435843240 /nfs/dbraw/zinc/84/32/40/435843240.db2.gz ITGTWXXKJQHSEL-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1c(F)cccc1Cl)C2 ZINC000660658672 435843243 /nfs/dbraw/zinc/84/32/43/435843243.db2.gz ITGTWXXKJQHSEL-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655856538 435846518 /nfs/dbraw/zinc/84/65/18/435846518.db2.gz NOQUCJCEUZCSOX-DLBZAZTESA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655856538 435846521 /nfs/dbraw/zinc/84/65/21/435846521.db2.gz NOQUCJCEUZCSOX-DLBZAZTESA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655855736 435847058 /nfs/dbraw/zinc/84/70/58/435847058.db2.gz HOPGLHOLPQHAHR-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655855736 435847063 /nfs/dbraw/zinc/84/70/63/435847063.db2.gz HOPGLHOLPQHAHR-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]1CCCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703792 435849529 /nfs/dbraw/zinc/84/95/29/435849529.db2.gz IOTTVULTKBHZSG-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703792 435849536 /nfs/dbraw/zinc/84/95/36/435849536.db2.gz IOTTVULTKBHZSG-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703792 435849543 /nfs/dbraw/zinc/84/95/43/435849543.db2.gz IOTTVULTKBHZSG-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703792 435849547 /nfs/dbraw/zinc/84/95/47/435849547.db2.gz IOTTVULTKBHZSG-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP Cc1ncc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)s1 ZINC000660680399 435858069 /nfs/dbraw/zinc/85/80/69/435858069.db2.gz YCUZALMAFKDVAA-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP CCC[NH+]1CCC([NH2+]CCC[N@H+](CC)C2CCCCC2)CC1 ZINC000651910599 435865877 /nfs/dbraw/zinc/86/58/77/435865877.db2.gz ZZXSDGHHGKYRFR-UHFFFAOYSA-N 3 2 309.542 3.495 20 0 DGADLP CCC[NH+]1CCC([NH2+]CCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000651910599 435865881 /nfs/dbraw/zinc/86/58/81/435865881.db2.gz ZZXSDGHHGKYRFR-UHFFFAOYSA-N 3 2 309.542 3.495 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000572778590 435866226 /nfs/dbraw/zinc/86/62/26/435866226.db2.gz NJIYKQXGSAEHMX-AWEZNQCLSA-N 2 2 314.433 3.069 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000572778590 435866232 /nfs/dbraw/zinc/86/62/32/435866232.db2.gz NJIYKQXGSAEHMX-AWEZNQCLSA-N 2 2 314.433 3.069 20 0 DGADLP CC(C)c1cc(NCc2ccc(C[NH3+])cc2F)nc(C(C)C)[nH+]1 ZINC000650305696 435882600 /nfs/dbraw/zinc/88/26/00/435882600.db2.gz GSSMXPKDNBQECV-UHFFFAOYSA-N 2 2 316.424 3.355 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651983266 435882943 /nfs/dbraw/zinc/88/29/43/435882943.db2.gz VESARQBDUSMVCL-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651983266 435882950 /nfs/dbraw/zinc/88/29/50/435882950.db2.gz VESARQBDUSMVCL-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP COCC[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856105 435908922 /nfs/dbraw/zinc/90/89/22/435908922.db2.gz YCALYDFXZBKUEQ-AWEZNQCLSA-N 2 2 301.434 3.242 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000665277846 435936551 /nfs/dbraw/zinc/93/65/51/435936551.db2.gz NLNMDAYWLAIGKM-KGYZHSKHSA-N 2 2 300.446 3.365 20 0 DGADLP c1cc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000656279685 435936661 /nfs/dbraw/zinc/93/66/61/435936661.db2.gz YNSQWVRQFNKJOH-OALUTQOASA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000656279685 435936666 /nfs/dbraw/zinc/93/66/66/435936666.db2.gz YNSQWVRQFNKJOH-OALUTQOASA-N 2 2 314.473 3.161 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665238229 435925185 /nfs/dbraw/zinc/92/51/85/435925185.db2.gz UIBZPMWRCJIEJZ-MCIONIFRSA-N 2 2 308.388 3.126 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(OC)c1 ZINC000665240918 435926307 /nfs/dbraw/zinc/92/63/07/435926307.db2.gz VXEMTDVVSCXSEN-OTWHNJEPSA-N 2 2 312.413 3.117 20 0 DGADLP [NH3+]C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000665247646 435928687 /nfs/dbraw/zinc/92/86/87/435928687.db2.gz GVIQJOZFHTZGMT-REPLKXPHSA-N 3 2 313.489 3.043 20 0 DGADLP [NH3+]C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000665247646 435928691 /nfs/dbraw/zinc/92/86/91/435928691.db2.gz GVIQJOZFHTZGMT-REPLKXPHSA-N 3 2 313.489 3.043 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000665253403 435930424 /nfs/dbraw/zinc/93/04/24/435930424.db2.gz PPSCVUITMGAHJL-CDHAZOANSA-N 2 2 317.383 3.156 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncc1 ZINC000665259057 435933202 /nfs/dbraw/zinc/93/32/02/435933202.db2.gz TWUFWCHNISRQNJ-GUDVDZBRSA-N 2 2 313.420 3.407 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652356186 435958200 /nfs/dbraw/zinc/95/82/00/435958200.db2.gz VVIAVRXILQUGDR-BBRMVZONSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652356186 435958206 /nfs/dbraw/zinc/95/82/06/435958206.db2.gz VVIAVRXILQUGDR-BBRMVZONSA-N 2 2 318.440 3.145 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@@H](c4cccnc4)C3)c[nH+]c12 ZINC000647245620 435990779 /nfs/dbraw/zinc/99/07/79/435990779.db2.gz VGVFDPMXYUPNHO-SJLPKXTDSA-N 2 2 322.412 3.048 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000665296318 435942358 /nfs/dbraw/zinc/94/23/58/435942358.db2.gz QSEFCKMLOLFEGG-UWVGGRQHSA-N 2 2 311.223 3.454 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000665296144 435942626 /nfs/dbraw/zinc/94/26/26/435942626.db2.gz NKYNKGARQRLRAK-ISVAXAHUSA-N 2 2 317.658 3.287 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000665295381 435943028 /nfs/dbraw/zinc/94/30/28/435943028.db2.gz CPIDJVFEXUAQDA-CABZTGNLSA-N 2 2 303.233 3.405 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000665298523 435943370 /nfs/dbraw/zinc/94/33/70/435943370.db2.gz XICKUAUNOHOJOV-YGRLFVJLSA-N 2 2 302.340 3.234 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000665300516 435944367 /nfs/dbraw/zinc/94/43/67/435944367.db2.gz DGSDSJZPARVOAN-CRAIPNDOSA-N 2 2 322.468 3.240 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000652352431 435955847 /nfs/dbraw/zinc/95/58/47/435955847.db2.gz WZXGDJUCEUDDML-KXBFYZLASA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000652352431 435955852 /nfs/dbraw/zinc/95/58/52/435955852.db2.gz WZXGDJUCEUDDML-KXBFYZLASA-N 2 2 311.429 3.211 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283268 435999889 /nfs/dbraw/zinc/99/98/89/435999889.db2.gz RUYJMBYJOZIQMO-BRWVUGGUSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cc2n(n1)CCCC2 ZINC000647284744 436000481 /nfs/dbraw/zinc/00/04/81/436000481.db2.gz CGJSAURKIDNMGB-CQSZACIVSA-N 2 2 323.444 3.379 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715866 436002044 /nfs/dbraw/zinc/00/20/44/436002044.db2.gz MJHISBONFABJMQ-NSISKUIASA-N 2 2 321.468 3.448 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715866 436002051 /nfs/dbraw/zinc/00/20/51/436002051.db2.gz MJHISBONFABJMQ-NSISKUIASA-N 2 2 321.468 3.448 20 0 DGADLP CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000647336291 436021958 /nfs/dbraw/zinc/02/19/58/436021958.db2.gz UFKWPHPHCKAORM-ZOBUZTSGSA-N 2 2 301.434 3.320 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364941 436031549 /nfs/dbraw/zinc/03/15/49/436031549.db2.gz SPENXKPUSXCPQN-IBGZPJMESA-N 2 2 323.440 3.033 20 0 DGADLP CCOc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647262175 435995376 /nfs/dbraw/zinc/99/53/76/435995376.db2.gz HXPXGANSBXSMGO-UHFFFAOYSA-N 2 2 309.413 3.374 20 0 DGADLP COc1ccc(C)cc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262647 435996238 /nfs/dbraw/zinc/99/62/38/435996238.db2.gz IJTHGOSAEAHLHN-UHFFFAOYSA-N 2 2 309.413 3.292 20 0 DGADLP C[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1=O ZINC000661537487 436102874 /nfs/dbraw/zinc/10/28/74/436102874.db2.gz BDSIGKLWFWKNMW-IAGOWNOFSA-N 2 2 314.473 3.329 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479376 436059953 /nfs/dbraw/zinc/05/99/53/436059953.db2.gz DPHDFXBTYDNADQ-PKOBYXMFSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479376 436059955 /nfs/dbraw/zinc/05/99/55/436059955.db2.gz DPHDFXBTYDNADQ-PKOBYXMFSA-N 2 2 324.472 3.145 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479339 436060519 /nfs/dbraw/zinc/06/05/19/436060519.db2.gz CPHICBDNWJDVCR-ZIAGYGMSSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479339 436060524 /nfs/dbraw/zinc/06/05/24/436060524.db2.gz CPHICBDNWJDVCR-ZIAGYGMSSA-N 2 2 307.507 3.405 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482700 436062748 /nfs/dbraw/zinc/06/27/48/436062748.db2.gz YZJJYUBDTIVSFQ-UHFFFAOYSA-N 2 2 304.381 3.483 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482700 436062758 /nfs/dbraw/zinc/06/27/58/436062758.db2.gz YZJJYUBDTIVSFQ-UHFFFAOYSA-N 2 2 304.381 3.483 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1 ZINC000647482466 436063122 /nfs/dbraw/zinc/06/31/22/436063122.db2.gz HMNKLSXNGKALOA-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1 ZINC000647482466 436063126 /nfs/dbraw/zinc/06/31/26/436063126.db2.gz HMNKLSXNGKALOA-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647496291 436065562 /nfs/dbraw/zinc/06/55/62/436065562.db2.gz FAAAHLLFMQANPQ-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647496291 436065567 /nfs/dbraw/zinc/06/55/67/436065567.db2.gz FAAAHLLFMQANPQ-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2sc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000647497225 436066191 /nfs/dbraw/zinc/06/61/91/436066191.db2.gz AETFZYNKDPIUDY-PWSUYJOCSA-N 2 2 317.296 3.378 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2sc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000647497225 436066197 /nfs/dbraw/zinc/06/61/97/436066197.db2.gz AETFZYNKDPIUDY-PWSUYJOCSA-N 2 2 317.296 3.378 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@H]1[NH3+] ZINC000647498589 436066714 /nfs/dbraw/zinc/06/67/14/436066714.db2.gz KURPLKCRYWUSJM-IINYFYTJSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@H]1[NH3+] ZINC000647498589 436066715 /nfs/dbraw/zinc/06/67/15/436066715.db2.gz KURPLKCRYWUSJM-IINYFYTJSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000647507898 436068354 /nfs/dbraw/zinc/06/83/54/436068354.db2.gz ZPTRDEYOLKEYTE-OXJNMPFZSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000647507898 436068356 /nfs/dbraw/zinc/06/83/56/436068356.db2.gz ZPTRDEYOLKEYTE-OXJNMPFZSA-N 2 2 310.441 3.210 20 0 DGADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508284 436069011 /nfs/dbraw/zinc/06/90/11/436069011.db2.gz JZEMLTVNPQLSPK-BLLLJJGKSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508284 436069017 /nfs/dbraw/zinc/06/90/17/436069017.db2.gz JZEMLTVNPQLSPK-BLLLJJGKSA-N 2 2 320.433 3.102 20 0 DGADLP CCc1ccc([C@@H]2C[NH2+]CCN2Cc2c[nH+]c3ccccn23)cc1 ZINC000647536263 436074525 /nfs/dbraw/zinc/07/45/25/436074525.db2.gz RPUPLIVVWNARJV-IBGZPJMESA-N 2 2 320.440 3.043 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2Cc3cccc(F)c3C2)cc1 ZINC000657139477 436082355 /nfs/dbraw/zinc/08/23/55/436082355.db2.gz PWZQAAIIUKNJMM-UHFFFAOYSA-N 2 2 314.404 3.282 20 0 DGADLP C[NH+](C)CCOc1ccc(C[N@H+]2Cc3cccc(F)c3C2)cc1 ZINC000657139477 436082361 /nfs/dbraw/zinc/08/23/61/436082361.db2.gz PWZQAAIIUKNJMM-UHFFFAOYSA-N 2 2 314.404 3.282 20 0 DGADLP Brc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553531 436083259 /nfs/dbraw/zinc/08/32/59/436083259.db2.gz CJEKEEYMNOTNCF-AWEZNQCLSA-N 2 2 309.251 3.213 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647644711 436093932 /nfs/dbraw/zinc/09/39/32/436093932.db2.gz RJFFGPXSQQEGNE-MRXNPFEDSA-N 2 2 312.417 3.070 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000647644711 436093934 /nfs/dbraw/zinc/09/39/34/436093934.db2.gz RJFFGPXSQQEGNE-MRXNPFEDSA-N 2 2 312.417 3.070 20 0 DGADLP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000653181011 436126713 /nfs/dbraw/zinc/12/67/13/436126713.db2.gz RYIIYCRJDUPYSH-OAHLLOKOSA-N 2 2 304.438 3.003 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(C)[nH+]1 ZINC000653183071 436126843 /nfs/dbraw/zinc/12/68/43/436126843.db2.gz LIIFMIZPFJNLLU-KRWDZBQOSA-N 2 2 324.428 3.315 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(C)[nH+]1 ZINC000653183071 436126844 /nfs/dbraw/zinc/12/68/44/436126844.db2.gz LIIFMIZPFJNLLU-KRWDZBQOSA-N 2 2 324.428 3.315 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000657311536 436129455 /nfs/dbraw/zinc/12/94/55/436129455.db2.gz MYYCNXUZYBHVAW-MRXNPFEDSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000657311536 436129459 /nfs/dbraw/zinc/12/94/59/436129459.db2.gz MYYCNXUZYBHVAW-MRXNPFEDSA-N 2 2 312.461 3.382 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000657318316 436134808 /nfs/dbraw/zinc/13/48/08/436134808.db2.gz JTCCUWWBKJMROD-LBPRGKRZSA-N 2 2 316.367 3.249 20 0 DGADLP COc1ccccc1C[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647872247 436138283 /nfs/dbraw/zinc/13/82/83/436138283.db2.gz MHJZFOTYYJAMCT-HNNXBMFYSA-N 2 2 316.470 3.368 20 0 DGADLP COc1ccccc1C[N@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647872247 436138290 /nfs/dbraw/zinc/13/82/90/436138290.db2.gz MHJZFOTYYJAMCT-HNNXBMFYSA-N 2 2 316.470 3.368 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113973 436114132 /nfs/dbraw/zinc/11/41/32/436114132.db2.gz TVSPCASFPHVPDQ-ROUUACIJSA-N 2 2 323.396 3.343 20 0 DGADLP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657285913 436115441 /nfs/dbraw/zinc/11/54/41/436115441.db2.gz PPZKTBKQNLXGSC-UHFFFAOYSA-N 2 2 324.472 3.052 20 0 DGADLP Fc1c(C[NH2+]C2CC[NH+](C3CC3)CC2)cccc1OC1CC1 ZINC000657295269 436120674 /nfs/dbraw/zinc/12/06/74/436120674.db2.gz MOKCKWAUBYPIPV-UHFFFAOYSA-N 2 2 304.409 3.083 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)CCC2 ZINC000657298098 436122925 /nfs/dbraw/zinc/12/29/25/436122925.db2.gz RWUAOKHRHIAONF-UHFFFAOYSA-N 3 2 324.472 3.105 20 0 DGADLP CC(C)n1cc[nH+]c1CNC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000657357735 436156939 /nfs/dbraw/zinc/15/69/39/436156939.db2.gz QSGJQDRNZQUVQI-MRXNPFEDSA-N 2 2 300.450 3.074 20 0 DGADLP CC(C)n1cc[nH+]c1CNC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657357735 436156940 /nfs/dbraw/zinc/15/69/40/436156940.db2.gz QSGJQDRNZQUVQI-MRXNPFEDSA-N 2 2 300.450 3.074 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423082167 301021015 /nfs/dbraw/zinc/02/10/15/301021015.db2.gz WGEINAACLYXERG-CFVMTHIKSA-N 2 2 302.418 3.159 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964277 436160107 /nfs/dbraw/zinc/16/01/07/436160107.db2.gz BCPISZQSGNHJQV-AEFFLSMTSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC000647964277 436160113 /nfs/dbraw/zinc/16/01/13/436160113.db2.gz BCPISZQSGNHJQV-AEFFLSMTSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964277 436160115 /nfs/dbraw/zinc/16/01/15/436160115.db2.gz BCPISZQSGNHJQV-AEFFLSMTSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964277 436160122 /nfs/dbraw/zinc/16/01/22/436160122.db2.gz BCPISZQSGNHJQV-AEFFLSMTSA-N 2 2 322.493 3.460 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000648000539 436171694 /nfs/dbraw/zinc/17/16/94/436171694.db2.gz PXNXZBHPBNBPJJ-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000648000539 436171700 /nfs/dbraw/zinc/17/17/00/436171700.db2.gz PXNXZBHPBNBPJJ-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)s1 ZINC000647991261 436172945 /nfs/dbraw/zinc/17/29/45/436172945.db2.gz RVJLSBKNDVURLO-MNOVXSKESA-N 2 2 315.280 3.257 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)s1 ZINC000647991261 436172946 /nfs/dbraw/zinc/17/29/46/436172946.db2.gz RVJLSBKNDVURLO-MNOVXSKESA-N 2 2 315.280 3.257 20 0 DGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000126466676 301285292 /nfs/dbraw/zinc/28/52/92/301285292.db2.gz VIONJCHSAMBWJP-OAHLLOKOSA-N 2 2 305.809 3.348 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657527766 436234718 /nfs/dbraw/zinc/23/47/18/436234718.db2.gz YOICAUUHHNIMFT-GFCCVEGCSA-N 2 2 316.367 3.390 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657527766 436234720 /nfs/dbraw/zinc/23/47/20/436234720.db2.gz YOICAUUHHNIMFT-GFCCVEGCSA-N 2 2 316.367 3.390 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657524891 436235521 /nfs/dbraw/zinc/23/55/21/436235521.db2.gz NMXHKIVVFKUOIA-MRXNPFEDSA-N 2 2 313.445 3.206 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524891 436235525 /nfs/dbraw/zinc/23/55/25/436235525.db2.gz NMXHKIVVFKUOIA-MRXNPFEDSA-N 2 2 313.445 3.206 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513024 436188902 /nfs/dbraw/zinc/18/89/02/436188902.db2.gz IVTJEZZKAONMJO-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513024 436188907 /nfs/dbraw/zinc/18/89/07/436188907.db2.gz IVTJEZZKAONMJO-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513024 436188915 /nfs/dbraw/zinc/18/89/15/436188915.db2.gz IVTJEZZKAONMJO-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513024 436188918 /nfs/dbraw/zinc/18/89/18/436188918.db2.gz IVTJEZZKAONMJO-DOMZBBRYSA-N 2 2 318.383 3.011 20 0 DGADLP C[C@H](CCCCO)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000651419386 436192171 /nfs/dbraw/zinc/19/21/71/436192171.db2.gz CJILFFOWLKZRTF-QGZVFWFLSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@H](CCCCO)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000651419386 436192175 /nfs/dbraw/zinc/19/21/75/436192175.db2.gz CJILFFOWLKZRTF-QGZVFWFLSA-N 2 2 304.478 3.182 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2noc3ccccc23)C1 ZINC000653551964 436201099 /nfs/dbraw/zinc/20/10/99/436201099.db2.gz BWNQPQREABUIIX-HNNXBMFYSA-N 2 2 324.428 3.466 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2noc3ccccc23)C1 ZINC000653551964 436201105 /nfs/dbraw/zinc/20/11/05/436201105.db2.gz BWNQPQREABUIIX-HNNXBMFYSA-N 2 2 324.428 3.466 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CS[C@H](C(C)C)C3)cn21 ZINC000648078848 436206624 /nfs/dbraw/zinc/20/66/24/436206624.db2.gz QZCGLXNBZUCFBC-CVEARBPZSA-N 2 2 303.475 3.305 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](CCCc1c(F)cccc1F)CC2 ZINC000653596854 436220220 /nfs/dbraw/zinc/22/02/20/436220220.db2.gz QAKMXBJHIANGGW-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](CCCc1c(F)cccc1F)CC2 ZINC000653596854 436220223 /nfs/dbraw/zinc/22/02/23/436220223.db2.gz QAKMXBJHIANGGW-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478772 436221104 /nfs/dbraw/zinc/22/11/04/436221104.db2.gz FKWGEMMLULNNHI-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CO1 ZINC000657478772 436221109 /nfs/dbraw/zinc/22/11/09/436221109.db2.gz FKWGEMMLULNNHI-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000657749217 436295189 /nfs/dbraw/zinc/29/51/89/436295189.db2.gz ZJMABKBOIPILAN-RBUKOAKNSA-N 2 2 309.413 3.182 20 0 DGADLP C1CCC2(C1)CCC([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000657753241 436295199 /nfs/dbraw/zinc/29/51/99/436295199.db2.gz VTMXRMAHKPBRKU-GOSISDBHSA-N 2 2 306.494 3.332 20 0 DGADLP C1CCC2(C1)CCC([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000657753243 436295445 /nfs/dbraw/zinc/29/54/45/436295445.db2.gz VTMXRMAHKPBRKU-SFHVURJKSA-N 2 2 306.494 3.332 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662051811 436258937 /nfs/dbraw/zinc/25/89/37/436258937.db2.gz NVIQXJNJSGIAEO-FZMZJTMJSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662051811 436258939 /nfs/dbraw/zinc/25/89/39/436258939.db2.gz NVIQXJNJSGIAEO-FZMZJTMJSA-N 2 2 317.260 3.101 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657619585 436262008 /nfs/dbraw/zinc/26/20/08/436262008.db2.gz RNYOTWZDKLHAMR-CVEARBPZSA-N 2 2 324.415 3.053 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657619585 436262009 /nfs/dbraw/zinc/26/20/09/436262009.db2.gz RNYOTWZDKLHAMR-CVEARBPZSA-N 2 2 324.415 3.053 20 0 DGADLP CC(C)CC1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000662066876 436264688 /nfs/dbraw/zinc/26/46/88/436264688.db2.gz SWZHGRWSANQABJ-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000662066876 436264692 /nfs/dbraw/zinc/26/46/92/436264692.db2.gz SWZHGRWSANQABJ-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657638773 436266324 /nfs/dbraw/zinc/26/63/24/436266324.db2.gz WSHYKNCDXYQHKI-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657638773 436266328 /nfs/dbraw/zinc/26/63/28/436266328.db2.gz WSHYKNCDXYQHKI-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667436 436273106 /nfs/dbraw/zinc/27/31/06/436273106.db2.gz RCMSRISQCBUKJJ-KCITZHQASA-N 2 2 302.462 3.369 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667436 436273108 /nfs/dbraw/zinc/27/31/08/436273108.db2.gz RCMSRISQCBUKJJ-KCITZHQASA-N 2 2 302.462 3.369 20 0 DGADLP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666769685 436279595 /nfs/dbraw/zinc/27/95/95/436279595.db2.gz BLKFLTCBMOUIBJ-SFHVURJKSA-N 2 2 321.896 3.036 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000657693871 436280077 /nfs/dbraw/zinc/28/00/77/436280077.db2.gz ULLOBMHFPUJDKT-IAGOWNOFSA-N 2 2 302.462 3.263 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666798911 436283677 /nfs/dbraw/zinc/28/36/77/436283677.db2.gz RGJGJEAUZIRVMX-INIZCTEOSA-N 2 2 320.868 3.048 20 0 DGADLP CO[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000657766007 436298659 /nfs/dbraw/zinc/29/86/59/436298659.db2.gz GEAYVEIWINZLHH-MRXNPFEDSA-N 2 2 305.447 3.229 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1OC ZINC000666884419 436299902 /nfs/dbraw/zinc/29/99/02/436299902.db2.gz QPVJMNFAOUIFCK-SQWLQELKSA-N 2 2 306.450 3.103 20 0 DGADLP C[C@H]1C[N@H+](Cc2oc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000662242823 436312069 /nfs/dbraw/zinc/31/20/69/436312069.db2.gz CZZLJGMFWUSAOB-CMPLNLGQSA-N 2 2 323.234 3.364 20 0 DGADLP C[C@H]1C[N@@H+](Cc2oc3ccccc3c2Br)CC[C@H]1[NH3+] ZINC000662242823 436312075 /nfs/dbraw/zinc/31/20/75/436312075.db2.gz CZZLJGMFWUSAOB-CMPLNLGQSA-N 2 2 323.234 3.364 20 0 DGADLP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666947024 436312988 /nfs/dbraw/zinc/31/29/88/436312988.db2.gz WWAARKGPRGFGJP-IRXDYDNUSA-N 2 2 314.404 3.152 20 0 DGADLP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666946758 436313090 /nfs/dbraw/zinc/31/30/90/436313090.db2.gz PFBXEUGYNXUYQK-PBWTXFEYSA-N 2 2 320.452 3.400 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662252619 436313335 /nfs/dbraw/zinc/31/33/35/436313335.db2.gz BYHNNBIAAKPIOI-QRWLVFNGSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662252619 436313341 /nfs/dbraw/zinc/31/33/41/436313341.db2.gz BYHNNBIAAKPIOI-QRWLVFNGSA-N 2 2 310.441 3.354 20 0 DGADLP Clc1ccc(C2([NH2+]C[C@@H]3C[NH2+]CCO3)CCCCC2)cc1 ZINC000662257197 436313618 /nfs/dbraw/zinc/31/36/18/436313618.db2.gz BJPGHTORLRNGMW-INIZCTEOSA-N 2 2 308.853 3.077 20 0 DGADLP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662250812 436314565 /nfs/dbraw/zinc/31/45/65/436314565.db2.gz OQRVXYIGNIQQIZ-QZTJIDSGSA-N 2 2 302.462 3.109 20 0 DGADLP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662250812 436314569 /nfs/dbraw/zinc/31/45/69/436314569.db2.gz OQRVXYIGNIQQIZ-QZTJIDSGSA-N 2 2 302.462 3.109 20 0 DGADLP c1ccc([C@@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657815184 436315703 /nfs/dbraw/zinc/31/57/03/436315703.db2.gz FMBMNDKYSKAQCB-QZTJIDSGSA-N 2 2 300.446 3.125 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cccc(F)c1OC(F)F)C1CCCCC1 ZINC000662276099 436321041 /nfs/dbraw/zinc/32/10/41/436321041.db2.gz FPALIADPVBPNRO-AWEZNQCLSA-N 2 2 316.367 3.424 20 0 DGADLP Brc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998377 436321508 /nfs/dbraw/zinc/32/15/08/436321508.db2.gz PZVMJYMXDROAMN-CYBMUJFWSA-N 2 2 309.251 3.213 20 0 DGADLP COCC[NH2+]C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC000662285281 436323270 /nfs/dbraw/zinc/32/32/70/436323270.db2.gz ISYZNKDQKWENAL-UHFFFAOYSA-N 2 2 304.478 3.185 20 0 DGADLP Clc1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CCCC2)c1 ZINC000662283234 436323356 /nfs/dbraw/zinc/32/33/56/436323356.db2.gz SRPUAKRLGIQVJB-IRXDYDNUSA-N 2 2 308.853 3.149 20 0 DGADLP C[N@H+](CCOC(c1ccccc1)c1ccccc1)CC(C)(C)[NH3+] ZINC000662297584 436326235 /nfs/dbraw/zinc/32/62/35/436326235.db2.gz NEJGYKMDOVCFSV-UHFFFAOYSA-N 2 2 312.457 3.462 20 0 DGADLP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)CC(C)(C)[NH3+] ZINC000662297584 436326238 /nfs/dbraw/zinc/32/62/38/436326238.db2.gz NEJGYKMDOVCFSV-UHFFFAOYSA-N 2 2 312.457 3.462 20 0 DGADLP CCOC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000657850652 436327031 /nfs/dbraw/zinc/32/70/31/436327031.db2.gz JUYVWFQVRZBAQL-UHFFFAOYSA-N 2 2 317.408 3.449 20 0 DGADLP [NH3+]C[C@@H]1CCc2ccccc2N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000662304041 436327885 /nfs/dbraw/zinc/32/78/85/436327885.db2.gz DHTIPHMBOZHBAB-IBGZPJMESA-N 2 2 318.424 3.152 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C1CC(CF)(CF)C1)C2 ZINC000657861285 436328941 /nfs/dbraw/zinc/32/89/41/436328941.db2.gz GPFYKINCLFELQR-LBPRGKRZSA-N 2 2 311.420 3.173 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320928 436331563 /nfs/dbraw/zinc/33/15/63/436331563.db2.gz FUJWSBHRQQWMSH-UKRRQHHQSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320928 436331567 /nfs/dbraw/zinc/33/15/67/436331567.db2.gz FUJWSBHRQQWMSH-UKRRQHHQSA-N 2 2 312.404 3.068 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccccc1 ZINC000657895438 436334501 /nfs/dbraw/zinc/33/45/01/436334501.db2.gz JEDIANZLXZXZJA-IAGOWNOFSA-N 2 2 321.428 3.025 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658058341 436361995 /nfs/dbraw/zinc/36/19/95/436361995.db2.gz RWPRKRRWMDBBHX-DYVFJYSZSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658058341 436361999 /nfs/dbraw/zinc/36/19/99/436361999.db2.gz RWPRKRRWMDBBHX-DYVFJYSZSA-N 2 2 303.450 3.168 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC000658096276 436373153 /nfs/dbraw/zinc/37/31/53/436373153.db2.gz PECGSJZNTYBQOC-JKSUJKDBSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC000658096276 436373157 /nfs/dbraw/zinc/37/31/57/436373157.db2.gz PECGSJZNTYBQOC-JKSUJKDBSA-N 2 2 302.462 3.015 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000658163988 436393477 /nfs/dbraw/zinc/39/34/77/436393477.db2.gz MGGWYRWSCXESBW-SFHVURJKSA-N 2 2 320.477 3.235 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CCCO2 ZINC000658054737 436359256 /nfs/dbraw/zinc/35/92/56/436359256.db2.gz GJYXVBKRTVUKGV-PBHICJAKSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056519 436360032 /nfs/dbraw/zinc/36/00/32/436360032.db2.gz LOJKNHNRMUNEPC-HOCLYGCPSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056519 436360035 /nfs/dbraw/zinc/36/00/35/436360035.db2.gz LOJKNHNRMUNEPC-HOCLYGCPSA-N 2 2 318.461 3.199 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327268 436431455 /nfs/dbraw/zinc/43/14/55/436431455.db2.gz NOQJNMSIRCBNMD-SMDDNHRTSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327268 436431457 /nfs/dbraw/zinc/43/14/57/436431457.db2.gz NOQJNMSIRCBNMD-SMDDNHRTSA-N 2 2 316.367 3.247 20 0 DGADLP Cc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658340973 436436013 /nfs/dbraw/zinc/43/60/13/436436013.db2.gz SMZTZTIUJYBSQV-XLIONFOSSA-N 2 2 314.473 3.215 20 0 DGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663343819 436443386 /nfs/dbraw/zinc/44/33/86/436443386.db2.gz FYQQTXPKRYGLFG-OAHLLOKOSA-N 2 2 308.416 3.485 20 0 DGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000663343819 436443390 /nfs/dbraw/zinc/44/33/90/436443390.db2.gz FYQQTXPKRYGLFG-OAHLLOKOSA-N 2 2 308.416 3.485 20 0 DGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663345669 436443607 /nfs/dbraw/zinc/44/36/07/436443607.db2.gz NDJGJASFLCTMHK-SFHVURJKSA-N 2 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663345669 436443611 /nfs/dbraw/zinc/44/36/11/436443611.db2.gz NDJGJASFLCTMHK-SFHVURJKSA-N 2 2 324.472 3.084 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCc1ccccc1-2 ZINC000663352612 436444331 /nfs/dbraw/zinc/44/43/31/436444331.db2.gz VGFDKRGJWQKQSL-BZSNNMDCSA-N 2 2 322.456 3.076 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCc1ccccc1-2 ZINC000663352612 436444335 /nfs/dbraw/zinc/44/43/35/436444335.db2.gz VGFDKRGJWQKQSL-BZSNNMDCSA-N 2 2 322.456 3.076 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000663469773 436465867 /nfs/dbraw/zinc/46/58/67/436465867.db2.gz DDTAZVLUKXJXHW-GOSISDBHSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658252311 436411524 /nfs/dbraw/zinc/41/15/24/436411524.db2.gz JFCZREACBXSDAR-IWCQGFGOSA-N 2 2 306.494 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658252311 436411528 /nfs/dbraw/zinc/41/15/28/436411528.db2.gz JFCZREACBXSDAR-IWCQGFGOSA-N 2 2 306.494 3.185 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658252315 436411718 /nfs/dbraw/zinc/41/17/18/436411718.db2.gz JFCZREACBXSDAR-XLNGHYISSA-N 2 2 306.494 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658252315 436411720 /nfs/dbraw/zinc/41/17/20/436411720.db2.gz JFCZREACBXSDAR-XLNGHYISSA-N 2 2 306.494 3.185 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286260 436416758 /nfs/dbraw/zinc/41/67/58/436416758.db2.gz QUFRPULYZQUBNF-RHSMWYFYSA-N 2 2 320.477 3.017 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000658286260 436416761 /nfs/dbraw/zinc/41/67/61/436416761.db2.gz QUFRPULYZQUBNF-RHSMWYFYSA-N 2 2 320.477 3.017 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658288072 436419653 /nfs/dbraw/zinc/41/96/53/436419653.db2.gz RBMMVDRKLUIMIR-MRXNPFEDSA-N 2 2 323.431 3.008 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658288072 436419656 /nfs/dbraw/zinc/41/96/56/436419656.db2.gz RBMMVDRKLUIMIR-MRXNPFEDSA-N 2 2 323.431 3.008 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286790 436419744 /nfs/dbraw/zinc/41/97/44/436419744.db2.gz VDMVNIGEHIQZAY-SNRMKQJTSA-N 2 2 320.452 3.367 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286790 436419747 /nfs/dbraw/zinc/41/97/47/436419747.db2.gz VDMVNIGEHIQZAY-SNRMKQJTSA-N 2 2 320.452 3.367 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658296393 436421139 /nfs/dbraw/zinc/42/11/39/436421139.db2.gz ZNHAPMWJYAOONU-FXAWDEMLSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000658294110 436421162 /nfs/dbraw/zinc/42/11/62/436421162.db2.gz GFJYKORVHPHRTB-RISCZKNCSA-N 2 2 314.882 3.305 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658297245 436421518 /nfs/dbraw/zinc/42/15/18/436421518.db2.gz ZORMRYOLBOOCGP-KNTRFNDTSA-N 2 2 314.473 3.022 20 0 DGADLP COc1ccccc1-c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499486 436470305 /nfs/dbraw/zinc/47/03/05/436470305.db2.gz WPWWPIZTPGOGQF-UHFFFAOYSA-N 2 2 308.425 3.204 20 0 DGADLP COc1ccc(Oc2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)cc1 ZINC000663497301 436471219 /nfs/dbraw/zinc/47/12/19/436471219.db2.gz DBXMXMBSGGDWQJ-UHFFFAOYSA-N 2 2 324.424 3.329 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000663514938 436472957 /nfs/dbraw/zinc/47/29/57/436472957.db2.gz WXIRURXOFGRSHH-SKHCZCESSA-N 2 2 310.441 3.476 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000663538726 436475576 /nfs/dbraw/zinc/47/55/76/436475576.db2.gz HRYKIJGGODXSEF-CYBMUJFWSA-N 2 2 310.323 3.447 20 0 DGADLP Cc1cc(CO)cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)[nH+]1 ZINC000663670565 436488285 /nfs/dbraw/zinc/48/82/85/436488285.db2.gz LBGCBUGBPRYIKR-KRWDZBQOSA-N 2 2 322.412 3.012 20 0 DGADLP Cn1c[nH+]cc1CCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000664034961 436549725 /nfs/dbraw/zinc/54/97/25/436549725.db2.gz RQLKWXQPZZAOPA-UHFFFAOYSA-N 2 2 322.412 3.241 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000659867204 436550918 /nfs/dbraw/zinc/55/09/18/436550918.db2.gz WEFRVGSMERIKAJ-INIZCTEOSA-N 2 2 317.477 3.496 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000659867204 436550922 /nfs/dbraw/zinc/55/09/22/436550922.db2.gz WEFRVGSMERIKAJ-INIZCTEOSA-N 2 2 317.477 3.496 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929338 436561454 /nfs/dbraw/zinc/56/14/54/436561454.db2.gz RETDGDKSNNVVJC-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929338 436561458 /nfs/dbraw/zinc/56/14/58/436561458.db2.gz RETDGDKSNNVVJC-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929338 436561462 /nfs/dbraw/zinc/56/14/62/436561462.db2.gz RETDGDKSNNVVJC-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929338 436561464 /nfs/dbraw/zinc/56/14/64/436561464.db2.gz RETDGDKSNNVVJC-AEFFLSMTSA-N 2 2 316.493 3.180 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)sn1 ZINC000659927268 436562269 /nfs/dbraw/zinc/56/22/69/436562269.db2.gz GBSCWMHVLYXUSA-HUUCEWRRSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)sn1 ZINC000659927268 436562272 /nfs/dbraw/zinc/56/22/72/436562272.db2.gz GBSCWMHVLYXUSA-HUUCEWRRSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)sn1 ZINC000659927268 436562274 /nfs/dbraw/zinc/56/22/74/436562274.db2.gz GBSCWMHVLYXUSA-HUUCEWRRSA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)sn1 ZINC000659927268 436562277 /nfs/dbraw/zinc/56/22/77/436562277.db2.gz GBSCWMHVLYXUSA-HUUCEWRRSA-N 2 2 323.506 3.238 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@@H+]1C ZINC000659984950 436573375 /nfs/dbraw/zinc/57/33/75/436573375.db2.gz ZFVIPCPWYHSSCO-SMDDNHRTSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@H+]1C ZINC000659984950 436573379 /nfs/dbraw/zinc/57/33/79/436573379.db2.gz ZFVIPCPWYHSSCO-SMDDNHRTSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984950 436573383 /nfs/dbraw/zinc/57/33/83/436573383.db2.gz ZFVIPCPWYHSSCO-SMDDNHRTSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984950 436573386 /nfs/dbraw/zinc/57/33/86/436573386.db2.gz ZFVIPCPWYHSSCO-SMDDNHRTSA-N 2 2 316.367 3.342 20 0 DGADLP CC(C)=CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991165 436574179 /nfs/dbraw/zinc/57/41/79/436574179.db2.gz LMZTXNAMNLSGHN-UHFFFAOYSA-N 2 2 301.478 3.377 20 0 DGADLP CC(C)=CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991165 436574180 /nfs/dbraw/zinc/57/41/80/436574180.db2.gz LMZTXNAMNLSGHN-UHFFFAOYSA-N 2 2 301.478 3.377 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655683601 436575016 /nfs/dbraw/zinc/57/50/16/436575016.db2.gz IIHTUROXQNUCKZ-CXAGYDPISA-N 2 2 308.853 3.244 20 0 DGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655689989 436576438 /nfs/dbraw/zinc/57/64/38/436576438.db2.gz QKODIFYYRWDGET-WBVHZDCISA-N 2 2 318.486 3.066 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083478 436587827 /nfs/dbraw/zinc/58/78/27/436587827.db2.gz TZWXYPLBWACPML-XJKSGUPXSA-N 2 2 303.475 3.458 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083478 436587828 /nfs/dbraw/zinc/58/78/28/436587828.db2.gz TZWXYPLBWACPML-XJKSGUPXSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083478 436587831 /nfs/dbraw/zinc/58/78/31/436587831.db2.gz TZWXYPLBWACPML-XJKSGUPXSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083478 436587833 /nfs/dbraw/zinc/58/78/33/436587833.db2.gz TZWXYPLBWACPML-XJKSGUPXSA-N 2 2 303.475 3.458 20 0 DGADLP CCc1nc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000664365205 436590162 /nfs/dbraw/zinc/59/01/62/436590162.db2.gz WWFUIXVQJKAIJO-GOSISDBHSA-N 2 2 324.472 3.101 20 0 DGADLP CCc1nc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000664365205 436590163 /nfs/dbraw/zinc/59/01/63/436590163.db2.gz WWFUIXVQJKAIJO-GOSISDBHSA-N 2 2 324.472 3.101 20 0 DGADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664365208 436591002 /nfs/dbraw/zinc/59/10/02/436591002.db2.gz WYMVIDGTVDGUKU-GOSISDBHSA-N 2 2 322.456 3.107 20 0 DGADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664365208 436591004 /nfs/dbraw/zinc/59/10/04/436591004.db2.gz WYMVIDGTVDGUKU-GOSISDBHSA-N 2 2 322.456 3.107 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nsc2ccccc12 ZINC000660116673 436592421 /nfs/dbraw/zinc/59/24/21/436592421.db2.gz JJGCKBFEFCLENV-UHFFFAOYSA-N 2 2 300.431 3.323 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nsc2ccccc12 ZINC000660116673 436592425 /nfs/dbraw/zinc/59/24/25/436592425.db2.gz JJGCKBFEFCLENV-UHFFFAOYSA-N 2 2 300.431 3.323 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2nsc3ccccc23)C1 ZINC000660128439 436594136 /nfs/dbraw/zinc/59/41/36/436594136.db2.gz MGPFULIBXHMAJE-CYBMUJFWSA-N 2 2 312.442 3.062 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2nsc3ccccc23)C1 ZINC000660128439 436594139 /nfs/dbraw/zinc/59/41/39/436594139.db2.gz MGPFULIBXHMAJE-CYBMUJFWSA-N 2 2 312.442 3.062 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660263706 436616200 /nfs/dbraw/zinc/61/62/00/436616200.db2.gz MAFLOVXRJKDWCB-CABCVRRESA-N 2 2 304.434 3.093 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660263706 436616202 /nfs/dbraw/zinc/61/62/02/436616202.db2.gz MAFLOVXRJKDWCB-CABCVRRESA-N 2 2 304.434 3.093 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccoc1 ZINC000177752582 312783720 /nfs/dbraw/zinc/78/37/20/312783720.db2.gz VTCYYIZAVQRNMY-KRWDZBQOSA-N 2 2 313.445 3.143 20 0 DGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccoc1 ZINC000178353765 312788863 /nfs/dbraw/zinc/78/88/63/312788863.db2.gz YYZFVOKMOCFSHN-MRXNPFEDSA-N 2 2 306.450 3.213 20 0 DGADLP Clc1cc2c(c(C[NH2+]Cc3c[nH+]c4n3CCCC4)c1)OCC2 ZINC000376767480 312984212 /nfs/dbraw/zinc/98/42/12/312984212.db2.gz JIVOYBGKBUKJAO-UHFFFAOYSA-N 2 2 317.820 3.098 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000377261516 313034487 /nfs/dbraw/zinc/03/44/87/313034487.db2.gz JGJMUGCXRRXCDQ-KRWDZBQOSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000377261516 313034489 /nfs/dbraw/zinc/03/44/89/313034489.db2.gz JGJMUGCXRRXCDQ-KRWDZBQOSA-N 2 2 317.408 3.397 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528728553 313066959 /nfs/dbraw/zinc/06/69/59/313066959.db2.gz PAPHMKRVPRDEFR-HNNXBMFYSA-N 2 2 306.425 3.073 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528795209 313085030 /nfs/dbraw/zinc/08/50/30/313085030.db2.gz FIKDKOFPTLROIX-UHFFFAOYSA-N 2 2 309.335 3.040 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528795209 313085032 /nfs/dbraw/zinc/08/50/32/313085032.db2.gz FIKDKOFPTLROIX-UHFFFAOYSA-N 2 2 309.335 3.040 20 0 DGADLP c1cc2ccc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2[nH]1 ZINC000529527101 313216957 /nfs/dbraw/zinc/21/69/57/313216957.db2.gz BBJLVIRNOUUQJE-INIZCTEOSA-N 2 2 306.413 3.497 20 0 DGADLP c1cc2ccc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2[nH]1 ZINC000529527101 313216959 /nfs/dbraw/zinc/21/69/59/313216959.db2.gz BBJLVIRNOUUQJE-INIZCTEOSA-N 2 2 306.413 3.497 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(F)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000529531638 313218789 /nfs/dbraw/zinc/21/87/89/313218789.db2.gz GXMJPYHNAMCRKQ-UHFFFAOYSA-N 2 2 313.420 3.147 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(F)cn1)[N@H+]1CCc2ccccc2C1 ZINC000529531638 313218792 /nfs/dbraw/zinc/21/87/92/313218792.db2.gz GXMJPYHNAMCRKQ-UHFFFAOYSA-N 2 2 313.420 3.147 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC(F)(F)C1 ZINC000529535428 313220536 /nfs/dbraw/zinc/22/05/36/313220536.db2.gz SPSNACVPRKUNRD-CYBMUJFWSA-N 2 2 305.372 3.455 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000529538124 313221182 /nfs/dbraw/zinc/22/11/82/313221182.db2.gz KSZILBXYYWATJI-AWEZNQCLSA-N 2 2 319.449 3.284 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000529538124 313221185 /nfs/dbraw/zinc/22/11/85/313221185.db2.gz KSZILBXYYWATJI-AWEZNQCLSA-N 2 2 319.449 3.284 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529567751 313229484 /nfs/dbraw/zinc/22/94/84/313229484.db2.gz PJAORYFPFUHUNS-LLVKDONJSA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529567751 313229486 /nfs/dbraw/zinc/22/94/86/313229486.db2.gz PJAORYFPFUHUNS-LLVKDONJSA-N 2 2 315.364 3.490 20 0 DGADLP COc1cccc([C@H]2C[N@H+](Cc3c[nH+]c(C)n3C)CC2(C)C)c1 ZINC000529638723 313245105 /nfs/dbraw/zinc/24/51/05/313245105.db2.gz DXRICLULDPXWKN-GOSISDBHSA-N 2 2 313.445 3.363 20 0 DGADLP COc1cccc([C@H]2C[N@@H+](Cc3c[nH+]c(C)n3C)CC2(C)C)c1 ZINC000529638723 313245107 /nfs/dbraw/zinc/24/51/07/313245107.db2.gz DXRICLULDPXWKN-GOSISDBHSA-N 2 2 313.445 3.363 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177353 313334051 /nfs/dbraw/zinc/33/40/51/313334051.db2.gz GMOWQAKJIOQELC-OAHLLOKOSA-N 2 2 301.821 3.262 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)c2)nc1 ZINC000530179475 313334934 /nfs/dbraw/zinc/33/49/34/313334934.db2.gz YJQZJWGJVMUYRN-IBGZPJMESA-N 2 2 323.440 3.035 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1n1cc[nH+]c1 ZINC000530516747 313379444 /nfs/dbraw/zinc/37/94/44/313379444.db2.gz LCGUTEOOTKHLRP-IKGGRYGDSA-N 2 2 303.450 3.258 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1n1cc[nH+]c1 ZINC000530516747 313379446 /nfs/dbraw/zinc/37/94/46/313379446.db2.gz LCGUTEOOTKHLRP-IKGGRYGDSA-N 2 2 303.450 3.258 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@H]1n1cc[nH+]c1 ZINC000530516748 313379812 /nfs/dbraw/zinc/37/98/12/313379812.db2.gz LCGUTEOOTKHLRP-IXDOHACOSA-N 2 2 303.450 3.258 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@H]1n1cc[nH+]c1 ZINC000530516748 313379815 /nfs/dbraw/zinc/37/98/15/313379815.db2.gz LCGUTEOOTKHLRP-IXDOHACOSA-N 2 2 303.450 3.258 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530529680 313380745 /nfs/dbraw/zinc/38/07/45/313380745.db2.gz FKKJFAWBTRQFIS-NVXWUHKLSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530529680 313380749 /nfs/dbraw/zinc/38/07/49/313380749.db2.gz FKKJFAWBTRQFIS-NVXWUHKLSA-N 2 2 313.420 3.221 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000531191466 313439480 /nfs/dbraw/zinc/43/94/80/313439480.db2.gz XLVMKFPPWOBSAL-FUHWJXTLSA-N 2 2 314.477 3.325 20 0 DGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000531684086 313479901 /nfs/dbraw/zinc/47/99/01/313479901.db2.gz NXUMIRZOUZFTKZ-INIZCTEOSA-N 2 2 315.417 3.175 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000532230934 313530468 /nfs/dbraw/zinc/53/04/68/313530468.db2.gz KFLCBDAEIZOVDO-CQSZACIVSA-N 2 2 310.507 3.158 20 0 DGADLP CC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000532514330 313557290 /nfs/dbraw/zinc/55/72/90/313557290.db2.gz NUJSYTXKFMKJQT-OAHLLOKOSA-N 2 2 309.885 3.240 20 0 DGADLP CC(C)c1noc([C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000534127601 313649870 /nfs/dbraw/zinc/64/98/70/313649870.db2.gz BLUKGDLTLDIFOR-ZDUSSCGKSA-N 2 2 315.421 3.226 20 0 DGADLP COc1cc(C)[nH+]c(CN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000536045900 313746534 /nfs/dbraw/zinc/74/65/34/313746534.db2.gz PMPKKGQROAMCNP-UHFFFAOYSA-N 2 2 317.477 3.097 20 0 DGADLP CC[C@@H]1CCC[C@H]1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558013 313867990 /nfs/dbraw/zinc/86/79/90/313867990.db2.gz OPZZHWOKEVWMDK-DJIMGWMZSA-N 2 2 302.466 3.213 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000540953930 313989118 /nfs/dbraw/zinc/98/91/18/313989118.db2.gz ZREGODKFUALCMJ-UHFFFAOYSA-N 2 2 304.356 3.137 20 0 DGADLP CCc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000541090222 313995098 /nfs/dbraw/zinc/99/50/98/313995098.db2.gz OSOBIVSMIDKUNZ-SFHVURJKSA-N 2 2 310.445 3.018 20 0 DGADLP CCc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000541889588 314046130 /nfs/dbraw/zinc/04/61/30/314046130.db2.gz SPNQEEPCLFNDTL-NVXWUHKLSA-N 2 2 313.445 3.237 20 0 DGADLP CCc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000541889588 314046132 /nfs/dbraw/zinc/04/61/32/314046132.db2.gz SPNQEEPCLFNDTL-NVXWUHKLSA-N 2 2 313.445 3.237 20 0 DGADLP C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000543631749 314146349 /nfs/dbraw/zinc/14/63/49/314146349.db2.gz OHWNCCJFBOLWBW-PKOBYXMFSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000543631749 314146351 /nfs/dbraw/zinc/14/63/51/314146351.db2.gz OHWNCCJFBOLWBW-PKOBYXMFSA-N 2 2 308.510 3.247 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000545001868 314221144 /nfs/dbraw/zinc/22/11/44/314221144.db2.gz SGVHZNNSXSNUDJ-PMUMKWKESA-N 2 2 320.452 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000545001868 314221148 /nfs/dbraw/zinc/22/11/48/314221148.db2.gz SGVHZNNSXSNUDJ-PMUMKWKESA-N 2 2 320.452 3.085 20 0 DGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868479 314271393 /nfs/dbraw/zinc/27/13/93/314271393.db2.gz NSLWTDJXUIWZIP-PKOBYXMFSA-N 2 2 316.445 3.176 20 0 DGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868479 314271397 /nfs/dbraw/zinc/27/13/97/314271397.db2.gz NSLWTDJXUIWZIP-PKOBYXMFSA-N 2 2 316.445 3.176 20 0 DGADLP CC(C)(C)[N@@H+]1CCCN(c2cc[nH+]cc2Br)CC1 ZINC000547502150 314373991 /nfs/dbraw/zinc/37/39/91/314373991.db2.gz VQUPQWVXCOYKRG-UHFFFAOYSA-N 2 2 312.255 3.155 20 0 DGADLP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]cc2Br)CC1 ZINC000547502150 314373994 /nfs/dbraw/zinc/37/39/94/314373994.db2.gz VQUPQWVXCOYKRG-UHFFFAOYSA-N 2 2 312.255 3.155 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000551184857 314552768 /nfs/dbraw/zinc/55/27/68/314552768.db2.gz IXRPNQHNIIILPF-UHFFFAOYSA-N 2 2 302.466 3.244 20 0 DGADLP c1cc2cc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)ccc2[nH]1 ZINC000555878367 314738289 /nfs/dbraw/zinc/73/82/89/314738289.db2.gz JIKDPVIHZUWHTI-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP CC1=CC[C@@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000556264696 314751434 /nfs/dbraw/zinc/75/14/34/314751434.db2.gz ULRLFWLIGYVEJK-GOSISDBHSA-N 2 2 306.494 3.358 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000562518053 315026141 /nfs/dbraw/zinc/02/61/41/315026141.db2.gz FDKGZANUKCRPFW-FIYPYCPBSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000562518053 315026144 /nfs/dbraw/zinc/02/61/44/315026144.db2.gz FDKGZANUKCRPFW-FIYPYCPBSA-N 2 2 316.489 3.443 20 0 DGADLP Cn1c[nH+]c(CC[NH2+]Cc2cnc(C3CCCCC3)s2)c1 ZINC000562682924 315043513 /nfs/dbraw/zinc/04/35/13/315043513.db2.gz INWLTSTYEJGHHG-UHFFFAOYSA-N 2 2 304.463 3.257 20 0 DGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3F)CC2)cc1 ZINC000563552465 315123848 /nfs/dbraw/zinc/12/38/48/315123848.db2.gz PQSUQJYANRRTOB-ZWKOTPCHSA-N 2 2 308.416 3.313 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)n1C ZINC000563637378 315129267 /nfs/dbraw/zinc/12/92/67/315129267.db2.gz PDGDKSRNPKPXCX-UHFFFAOYSA-N 2 2 313.445 3.205 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC3(C)C)CC2)c1 ZINC000563738000 315135381 /nfs/dbraw/zinc/13/53/81/315135381.db2.gz IVKUZNWOYGCQPF-IBGZPJMESA-N 2 2 315.505 3.285 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000564149092 315160146 /nfs/dbraw/zinc/16/01/46/315160146.db2.gz RRKZVMVEDUEGQF-QGZVKYPTSA-N 2 2 318.505 3.426 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000564149092 315160150 /nfs/dbraw/zinc/16/01/50/315160150.db2.gz RRKZVMVEDUEGQF-QGZVKYPTSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+]1Cc1ccccc1 ZINC000564481902 315178670 /nfs/dbraw/zinc/17/86/70/315178670.db2.gz YMEIPVRTYCZJIK-BHIYHBOVSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@H+]1Cc1ccccc1 ZINC000564481902 315178674 /nfs/dbraw/zinc/17/86/74/315178674.db2.gz YMEIPVRTYCZJIK-BHIYHBOVSA-N 2 2 314.473 3.198 20 0 DGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[N@@H+](C)CC ZINC000565160732 315236149 /nfs/dbraw/zinc/23/61/49/315236149.db2.gz DJMALPJMBLHMBH-ZDUSSCGKSA-N 2 2 319.276 3.128 20 0 DGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[N@H+](C)CC ZINC000565160732 315236150 /nfs/dbraw/zinc/23/61/50/315236150.db2.gz DJMALPJMBLHMBH-ZDUSSCGKSA-N 2 2 319.276 3.128 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000565160732 315236153 /nfs/dbraw/zinc/23/61/53/315236153.db2.gz DJMALPJMBLHMBH-ZDUSSCGKSA-N 2 2 319.276 3.128 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000565160732 315236154 /nfs/dbraw/zinc/23/61/54/315236154.db2.gz DJMALPJMBLHMBH-ZDUSSCGKSA-N 2 2 319.276 3.128 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707594 315281493 /nfs/dbraw/zinc/28/14/93/315281493.db2.gz DWNKQEIHLOWJFQ-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707594 315281495 /nfs/dbraw/zinc/28/14/95/315281495.db2.gz DWNKQEIHLOWJFQ-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707594 315281498 /nfs/dbraw/zinc/28/14/98/315281498.db2.gz DWNKQEIHLOWJFQ-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707594 315281501 /nfs/dbraw/zinc/28/15/01/315281501.db2.gz DWNKQEIHLOWJFQ-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565783869 315287641 /nfs/dbraw/zinc/28/76/41/315287641.db2.gz DUPCNFBQIRHFAP-RTBURBONSA-N 2 2 322.456 3.052 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565783869 315287644 /nfs/dbraw/zinc/28/76/44/315287644.db2.gz DUPCNFBQIRHFAP-RTBURBONSA-N 2 2 322.456 3.052 20 0 DGADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000565939080 315299249 /nfs/dbraw/zinc/29/92/49/315299249.db2.gz JKQKIYZKMQPCER-YJBOKZPZSA-N 2 2 313.445 3.382 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000566088538 315310878 /nfs/dbraw/zinc/31/08/78/315310878.db2.gz ZGXQMZIITLMCCL-HNNXBMFYSA-N 3 2 300.450 3.219 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1C ZINC000566499392 315353184 /nfs/dbraw/zinc/35/31/84/315353184.db2.gz SBAOINTZPIWFSB-KSSFIOAISA-N 2 2 312.461 3.169 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1C ZINC000566499392 315353186 /nfs/dbraw/zinc/35/31/86/315353186.db2.gz SBAOINTZPIWFSB-KSSFIOAISA-N 2 2 312.461 3.169 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCc2ccc(C)o2)[C@H]2CCC[NH2+]2)cc1 ZINC000566967821 315387015 /nfs/dbraw/zinc/38/70/15/315387015.db2.gz JYFSTBJZCGWQBX-RTBURBONSA-N 2 2 314.429 3.222 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000567058519 315393755 /nfs/dbraw/zinc/39/37/55/315393755.db2.gz WKCJLXGIXVVSFI-QGZVFWFLSA-N 2 2 319.836 3.080 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000567058519 315393757 /nfs/dbraw/zinc/39/37/57/315393757.db2.gz WKCJLXGIXVVSFI-QGZVFWFLSA-N 2 2 319.836 3.080 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000569074001 315555634 /nfs/dbraw/zinc/55/56/34/315555634.db2.gz SUEPMFNWFZXGFF-SFUIVIKGSA-N 2 2 304.478 3.397 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569794052 315603791 /nfs/dbraw/zinc/60/37/91/315603791.db2.gz YRESNYSCLQXUIO-CYJAXWMASA-N 2 2 317.477 3.153 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000569936696 315613130 /nfs/dbraw/zinc/61/31/30/315613130.db2.gz CULWZQJOZGOZOJ-KRWDZBQOSA-N 2 2 322.880 3.152 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000573228065 315849806 /nfs/dbraw/zinc/84/98/06/315849806.db2.gz SBMHAAMQWYKFTN-HNNXBMFYSA-N 2 2 319.836 3.473 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000573664327 315888516 /nfs/dbraw/zinc/88/85/16/315888516.db2.gz SIUBHPUGDRVBML-LSDHHAIUSA-N 2 2 305.466 3.291 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H]1Oc1ccccc1 ZINC000574791586 316001109 /nfs/dbraw/zinc/00/11/09/316001109.db2.gz UBOKLKNLSQPKIU-QZTJIDSGSA-N 2 2 313.445 3.499 20 0 DGADLP CC1(C)[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1Oc1ccccc1 ZINC000574791588 316001208 /nfs/dbraw/zinc/00/12/08/316001208.db2.gz UBOKLKNLSQPKIU-ROUUACIJSA-N 2 2 313.445 3.499 20 0 DGADLP CCCn1ncnc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000574996345 316023122 /nfs/dbraw/zinc/02/31/22/316023122.db2.gz OPKHBNABZCRHTL-UHFFFAOYSA-N 2 2 321.513 3.022 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC(C)(C)C3)c2cc1C ZINC000575836065 316067245 /nfs/dbraw/zinc/06/72/45/316067245.db2.gz YOEUBKVUCNNXEX-JKSUJKDBSA-N 2 2 315.461 3.182 20 0 DGADLP O=C(Cc1coc2ccccc12)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000576129728 316098547 /nfs/dbraw/zinc/09/85/47/316098547.db2.gz IUSWNVRCVHMOCI-UHFFFAOYSA-N 2 2 318.336 3.195 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995778 316190614 /nfs/dbraw/zinc/19/06/14/316190614.db2.gz AYFNVHQEOSPCJH-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995778 316190617 /nfs/dbraw/zinc/19/06/17/316190617.db2.gz AYFNVHQEOSPCJH-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995778 316190621 /nfs/dbraw/zinc/19/06/21/316190621.db2.gz AYFNVHQEOSPCJH-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@@H]1C ZINC000576995778 316190626 /nfs/dbraw/zinc/19/06/26/316190626.db2.gz AYFNVHQEOSPCJH-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000577038344 316195172 /nfs/dbraw/zinc/19/51/72/316195172.db2.gz BZGLLJGHOATXNV-DOTOQJQBSA-N 2 2 324.428 3.017 20 0 DGADLP CC[NH2+]CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000577274097 316219794 /nfs/dbraw/zinc/21/97/94/316219794.db2.gz BQDLRNDCHNXLPP-CYBMUJFWSA-N 2 2 315.230 3.165 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000577395473 316232270 /nfs/dbraw/zinc/23/22/70/316232270.db2.gz LIGWCERFBHJZAD-GFCCVEGCSA-N 2 2 301.261 3.467 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000577395473 316232272 /nfs/dbraw/zinc/23/22/72/316232272.db2.gz LIGWCERFBHJZAD-GFCCVEGCSA-N 2 2 301.261 3.467 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000577708284 316261799 /nfs/dbraw/zinc/26/17/99/316261799.db2.gz ZUSVOWOHFUFABY-FUHWJXTLSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000577708284 316261801 /nfs/dbraw/zinc/26/18/01/316261801.db2.gz ZUSVOWOHFUFABY-FUHWJXTLSA-N 2 2 322.880 3.154 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000577741983 316266667 /nfs/dbraw/zinc/26/66/67/316266667.db2.gz PJDWDGKAMZVMLT-DGCLKSJQSA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000577741983 316266671 /nfs/dbraw/zinc/26/66/71/316266671.db2.gz PJDWDGKAMZVMLT-DGCLKSJQSA-N 2 2 312.841 3.059 20 0 DGADLP C[C@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1c[nH+]ccc1N ZINC000578062743 316299579 /nfs/dbraw/zinc/29/95/79/316299579.db2.gz VKUBGDWMBUWUDD-INIZCTEOSA-N 2 2 316.493 3.191 20 0 DGADLP C[C@H]([NH2+]CCN1CCC2(CCCCC2)CC1)c1c[nH+]ccc1N ZINC000578062743 316299583 /nfs/dbraw/zinc/29/95/83/316299583.db2.gz VKUBGDWMBUWUDD-INIZCTEOSA-N 2 2 316.493 3.191 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C12CCC2 ZINC000181569062 323259562 /nfs/dbraw/zinc/25/95/62/323259562.db2.gz XGBDVYKVSBXDCJ-QZTJIDSGSA-N 2 2 311.429 3.310 20 0 DGADLP Cc1[nH]c(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000578454380 323735790 /nfs/dbraw/zinc/73/57/90/323735790.db2.gz XUYYNNRIJJYSRV-MRXNPFEDSA-N 2 2 312.461 3.342 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000580301834 323981847 /nfs/dbraw/zinc/98/18/47/323981847.db2.gz QSFZYHLBLXGEQL-WOJBJXKFSA-N 3 2 318.424 3.166 20 0 DGADLP C[C@H](CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963438 324058990 /nfs/dbraw/zinc/05/89/90/324058990.db2.gz RIJUDFDELHUFPI-UYAOXDASSA-N 2 2 316.489 3.367 20 0 DGADLP C[C@H](CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963438 324058994 /nfs/dbraw/zinc/05/89/94/324058994.db2.gz RIJUDFDELHUFPI-UYAOXDASSA-N 2 2 316.489 3.367 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892027 324165305 /nfs/dbraw/zinc/16/53/05/324165305.db2.gz WEEPUQNZTZNZMC-ZYHUDNBSSA-N 2 2 320.330 3.078 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892027 324165308 /nfs/dbraw/zinc/16/53/08/324165308.db2.gz WEEPUQNZTZNZMC-ZYHUDNBSSA-N 2 2 320.330 3.078 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000582347926 324219418 /nfs/dbraw/zinc/21/94/18/324219418.db2.gz DHRUGZSAAQNRKC-QGZVFWFLSA-N 2 2 310.445 3.011 20 0 DGADLP COc1ccc([C@@H]([NH2+]Cc2c[nH+]c(C)n2C)c2ccco2)cc1 ZINC000582737137 324268685 /nfs/dbraw/zinc/26/86/85/324268685.db2.gz SFEUPHAMWPMRFQ-GOSISDBHSA-N 2 2 311.385 3.209 20 0 DGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000583665577 324381887 /nfs/dbraw/zinc/38/18/87/324381887.db2.gz DWOJBAALKDKGQJ-NRFANRHFSA-N 2 2 324.468 3.303 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)n2)cc1 ZINC000584418314 337322728 /nfs/dbraw/zinc/32/27/28/337322728.db2.gz PETJFIPZGFNVDQ-BBRMVZONSA-N 2 2 314.433 3.172 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)n2)cc1 ZINC000584418314 337322729 /nfs/dbraw/zinc/32/27/29/337322729.db2.gz PETJFIPZGFNVDQ-BBRMVZONSA-N 2 2 314.433 3.172 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1sccc1Br ZINC000037256252 337362388 /nfs/dbraw/zinc/36/23/88/337362388.db2.gz XEAARNJYFGPNJW-VIFPVBQESA-N 2 2 303.269 3.255 20 0 DGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835740 533825611 /nfs/dbraw/zinc/82/56/11/533825611.db2.gz UVXIBWFNIULTEP-XLIONFOSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835740 533825619 /nfs/dbraw/zinc/82/56/19/533825619.db2.gz UVXIBWFNIULTEP-XLIONFOSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432235285 533922316 /nfs/dbraw/zinc/92/23/16/533922316.db2.gz ZLHLOZWWRFQQDV-SNVBAGLBSA-N 2 2 323.289 3.255 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)[C@H]1CCC[NH2+]1 ZINC000423081583 533937567 /nfs/dbraw/zinc/93/75/67/533937567.db2.gz DBQBYCJZBIFTSC-XJKSGUPXSA-N 2 2 315.392 3.243 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc2ccc(F)cc2s1)Cn1cc[nH+]c1 ZINC000428861546 534065193 /nfs/dbraw/zinc/06/51/93/534065193.db2.gz KVNKVQRLYYDRRE-NSHDSACASA-N 2 2 304.394 3.058 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000435054108 534070832 /nfs/dbraw/zinc/07/08/32/534070832.db2.gz ALKKRMJWIPPZAI-RDTXWAMCSA-N 2 2 300.377 3.478 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000435054108 534070834 /nfs/dbraw/zinc/07/08/34/534070834.db2.gz ALKKRMJWIPPZAI-RDTXWAMCSA-N 2 2 300.377 3.478 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000430921469 534129742 /nfs/dbraw/zinc/12/97/42/534129742.db2.gz TVOOBPNHTYKDCH-MRXNPFEDSA-N 2 2 323.440 3.295 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[NH2+]CC1 ZINC000430921469 534129752 /nfs/dbraw/zinc/12/97/52/534129752.db2.gz TVOOBPNHTYKDCH-MRXNPFEDSA-N 2 2 323.440 3.295 20 0 DGADLP Cc1ccn2c(CN3C[C@@H](C)[NH2+]Cc4ccccc43)c[nH+]c2c1 ZINC000415110097 534346263 /nfs/dbraw/zinc/34/62/63/534346263.db2.gz YWYGUHUGSHLOOO-OAHLLOKOSA-N 2 2 306.413 3.141 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925525 534362440 /nfs/dbraw/zinc/36/24/40/534362440.db2.gz DCEQQJJQOPYWLG-IAQYHMDHSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925525 534362458 /nfs/dbraw/zinc/36/24/58/534362458.db2.gz DCEQQJJQOPYWLG-IAQYHMDHSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000443604930 534364471 /nfs/dbraw/zinc/36/44/71/534364471.db2.gz PMANLINRWIDRRM-AWEZNQCLSA-N 2 2 302.447 3.089 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)s1 ZINC000443604930 534364478 /nfs/dbraw/zinc/36/44/78/534364478.db2.gz PMANLINRWIDRRM-AWEZNQCLSA-N 2 2 302.447 3.089 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)sc1C ZINC000415083188 534391364 /nfs/dbraw/zinc/39/13/64/534391364.db2.gz PJILYCGKFSCLBQ-HZPDHXFCSA-N 2 2 301.459 3.343 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430936306 534477845 /nfs/dbraw/zinc/47/78/45/534477845.db2.gz UABXZFMONIFZNR-LZQZEXGQSA-N 2 2 323.440 3.036 20 0 DGADLP C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430936306 534477851 /nfs/dbraw/zinc/47/78/51/534477851.db2.gz UABXZFMONIFZNR-LZQZEXGQSA-N 2 2 323.440 3.036 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302072793 534623196 /nfs/dbraw/zinc/62/31/96/534623196.db2.gz ZMBPYRWTRFPJBL-HNNXBMFYSA-N 2 2 302.466 3.196 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@H+](C(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302072793 534623200 /nfs/dbraw/zinc/62/32/00/534623200.db2.gz ZMBPYRWTRFPJBL-HNNXBMFYSA-N 2 2 302.466 3.196 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000156549796 522344645 /nfs/dbraw/zinc/34/46/45/522344645.db2.gz GKRKFXCOKRMCGC-QGZVFWFLSA-N 2 2 306.450 3.354 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000157317967 523201657 /nfs/dbraw/zinc/20/16/57/523201657.db2.gz PVVFJFZDPWFSHF-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1Cl)C1CC[NH2+]CC1 ZINC000157317967 523201669 /nfs/dbraw/zinc/20/16/69/523201669.db2.gz PVVFJFZDPWFSHF-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430626482 534730908 /nfs/dbraw/zinc/73/09/08/534730908.db2.gz LCWSVCFGCKZNMT-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000430626482 534730915 /nfs/dbraw/zinc/73/09/15/534730915.db2.gz LCWSVCFGCKZNMT-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154645015 525413617 /nfs/dbraw/zinc/41/36/17/525413617.db2.gz ZJAPTRUPPHCHEC-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154645015 525413629 /nfs/dbraw/zinc/41/36/29/525413629.db2.gz ZJAPTRUPPHCHEC-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)n1 ZINC000431078152 527260207 /nfs/dbraw/zinc/26/02/07/527260207.db2.gz RZSDIBODWNSTJJ-CQSZACIVSA-N 2 2 318.396 3.130 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)n1 ZINC000431078152 527260212 /nfs/dbraw/zinc/26/02/12/527260212.db2.gz RZSDIBODWNSTJJ-CQSZACIVSA-N 2 2 318.396 3.130 20 0 DGADLP Cc1nc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000266367511 527344013 /nfs/dbraw/zinc/34/40/13/527344013.db2.gz LHPGOYGJJHFBNM-UHFFFAOYSA-N 2 2 310.445 3.133 20 0 DGADLP Cc1nc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000266367511 527344020 /nfs/dbraw/zinc/34/40/20/527344020.db2.gz LHPGOYGJJHFBNM-UHFFFAOYSA-N 2 2 310.445 3.133 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435612356 527923632 /nfs/dbraw/zinc/92/36/32/527923632.db2.gz FXVFQZFUKOYECS-OAHLLOKOSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435612356 527923637 /nfs/dbraw/zinc/92/36/37/527923637.db2.gz FXVFQZFUKOYECS-OAHLLOKOSA-N 2 2 323.868 3.051 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443989414 528241007 /nfs/dbraw/zinc/24/10/07/528241007.db2.gz QYBCRWUEDJKPHI-UHFFFAOYSA-N 2 2 321.412 3.374 20 0 DGADLP CC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429728635 528255646 /nfs/dbraw/zinc/25/56/46/528255646.db2.gz ZOCZFMKZYISBNX-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP CC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429728635 528255650 /nfs/dbraw/zinc/25/56/50/528255650.db2.gz ZOCZFMKZYISBNX-IBGZPJMESA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH2+]CC1CC[NH+](Cc2csc([C@H](C)OCC)n2)CC1 ZINC000430600379 528289997 /nfs/dbraw/zinc/28/99/97/528289997.db2.gz XPXHCDZXHNABPQ-ZDUSSCGKSA-N 2 2 311.495 3.062 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423245983 528334674 /nfs/dbraw/zinc/33/46/74/528334674.db2.gz ZAQZQLOTPBALKN-QGZVFWFLSA-N 2 2 303.837 3.218 20 0 DGADLP CCCC[NH+]1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000302060098 528464927 /nfs/dbraw/zinc/46/49/27/528464927.db2.gz SNAXSEUCPBNWGO-UHFFFAOYSA-N 2 2 302.466 3.340 20 0 DGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000427718631 528493597 /nfs/dbraw/zinc/49/35/97/528493597.db2.gz IDFVATQKGBFQLN-QZTJIDSGSA-N 2 2 306.519 3.281 20 0 DGADLP CC(C)n1cncc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000309583322 528625623 /nfs/dbraw/zinc/62/56/23/528625623.db2.gz QBGICCIIKOZJFR-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP CC(C)n1cncc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000309583322 528625630 /nfs/dbraw/zinc/62/56/30/528625630.db2.gz QBGICCIIKOZJFR-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415042436 528676502 /nfs/dbraw/zinc/67/65/02/528676502.db2.gz QMBLZJZCQNCVSX-QGZVFWFLSA-N 2 2 306.450 3.104 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430580206 528859498 /nfs/dbraw/zinc/85/94/98/528859498.db2.gz LLRBVFUCVCNGCL-MRXNPFEDSA-N 2 2 307.825 3.458 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc2[nH+]1 ZINC000433123043 529046350 /nfs/dbraw/zinc/04/63/50/529046350.db2.gz XUZZWJKBZWTSEV-ZDUSSCGKSA-N 2 2 302.422 3.075 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000430590690 529047126 /nfs/dbraw/zinc/04/71/26/529047126.db2.gz LSWSGFJAYYDJSJ-DZGCQCFKSA-N 2 2 302.422 3.103 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000430590690 529047128 /nfs/dbraw/zinc/04/71/28/529047128.db2.gz LSWSGFJAYYDJSJ-DZGCQCFKSA-N 2 2 302.422 3.103 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000430804776 529087841 /nfs/dbraw/zinc/08/78/41/529087841.db2.gz BBYADNMUIPQMAE-CQSZACIVSA-N 2 2 314.433 3.144 20 0 DGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430555919 529167479 /nfs/dbraw/zinc/16/74/79/529167479.db2.gz JQBXVBUSWMNAKW-AWEZNQCLSA-N 2 2 319.493 3.055 20 0 DGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430555919 529167482 /nfs/dbraw/zinc/16/74/82/529167482.db2.gz JQBXVBUSWMNAKW-AWEZNQCLSA-N 2 2 319.493 3.055 20 0 DGADLP CC(C)[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259441 534990504 /nfs/dbraw/zinc/99/05/04/534990504.db2.gz PKZUFLRIKQSQLO-ICSRJNTNSA-N 2 2 316.489 3.080 20 0 DGADLP CC(C)[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259441 534990515 /nfs/dbraw/zinc/99/05/15/534990515.db2.gz PKZUFLRIKQSQLO-ICSRJNTNSA-N 2 2 316.489 3.080 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccn1 ZINC000449398559 535146745 /nfs/dbraw/zinc/14/67/45/535146745.db2.gz VLVOFHYFSVCOIZ-UHFFFAOYSA-N 2 2 324.472 3.008 20 0 DGADLP CC(C)C[C@H](C[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000474278590 535305423 /nfs/dbraw/zinc/30/54/23/535305423.db2.gz PYDCVIRUKMDKOU-LJQANCHMSA-N 2 2 318.505 3.205 20 0 DGADLP CC(C)C[C@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000474278590 535305428 /nfs/dbraw/zinc/30/54/28/535305428.db2.gz PYDCVIRUKMDKOU-LJQANCHMSA-N 2 2 318.505 3.205 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000449133602 535902048 /nfs/dbraw/zinc/90/20/48/535902048.db2.gz YYOLKIMNYVXRRS-JCHJZTRSSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000449133602 535902052 /nfs/dbraw/zinc/90/20/52/535902052.db2.gz YYOLKIMNYVXRRS-JCHJZTRSSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)[nH]1 ZINC000488501201 536026416 /nfs/dbraw/zinc/02/64/16/536026416.db2.gz GNDGAHWNBUAEEX-STQMWFEESA-N 2 2 307.486 3.232 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000449223236 536894224 /nfs/dbraw/zinc/89/42/24/536894224.db2.gz FMICYTOWRMXRTL-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000449223236 536894226 /nfs/dbraw/zinc/89/42/26/536894226.db2.gz FMICYTOWRMXRTL-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000449223236 536894229 /nfs/dbraw/zinc/89/42/29/536894229.db2.gz FMICYTOWRMXRTL-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000449223236 536894232 /nfs/dbraw/zinc/89/42/32/536894232.db2.gz FMICYTOWRMXRTL-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000088670592 545811990 /nfs/dbraw/zinc/81/19/90/545811990.db2.gz YGENCMXJUXIBIZ-PXNSSMCTSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187407 545824065 /nfs/dbraw/zinc/82/40/65/545824065.db2.gz WKLXQGCXKMVRLO-WMZOPIPTSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187407 545824069 /nfs/dbraw/zinc/82/40/69/545824069.db2.gz WKLXQGCXKMVRLO-WMZOPIPTSA-N 2 2 318.505 3.426 20 0 DGADLP Fc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000120861766 545890888 /nfs/dbraw/zinc/89/08/88/545890888.db2.gz VUHSPNPVQWCGQE-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151318153 545991948 /nfs/dbraw/zinc/99/19/48/545991948.db2.gz CJIHQQZNLXPXAS-ZDUSSCGKSA-N 2 2 303.356 3.243 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000156290875 546033592 /nfs/dbraw/zinc/03/35/92/546033592.db2.gz AHMZCZKKFZRZCG-INIZCTEOSA-N 2 2 323.440 3.415 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157654127 546042958 /nfs/dbraw/zinc/04/29/58/546042958.db2.gz XZPLYYQXAWSUDU-SJLPKXTDSA-N 2 2 300.446 3.283 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157654127 546042963 /nfs/dbraw/zinc/04/29/63/546042963.db2.gz XZPLYYQXAWSUDU-SJLPKXTDSA-N 2 2 300.446 3.283 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000163634266 546083720 /nfs/dbraw/zinc/08/37/20/546083720.db2.gz OXQYMFPBLICPPQ-AUUYWEPGSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000163753922 546085145 /nfs/dbraw/zinc/08/51/45/546085145.db2.gz FJRYOMPMIGHPTM-LJQANCHMSA-N 2 2 302.462 3.043 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000180246711 546143699 /nfs/dbraw/zinc/14/36/99/546143699.db2.gz YNZZNDFHADTMKA-CQSZACIVSA-N 2 2 312.461 3.206 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000180246711 546143706 /nfs/dbraw/zinc/14/37/06/546143706.db2.gz YNZZNDFHADTMKA-CQSZACIVSA-N 2 2 312.461 3.206 20 0 DGADLP Cc1cc(N2CCC[N@H+](CC3CCCCC3)CC2)nc(C)[nH+]1 ZINC000189225474 546211247 /nfs/dbraw/zinc/21/12/47/546211247.db2.gz FIAUKXLZWFFCPU-UHFFFAOYSA-N 2 2 302.466 3.186 20 0 DGADLP Cc1cc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc(C)[nH+]1 ZINC000189225474 546211249 /nfs/dbraw/zinc/21/12/49/546211249.db2.gz FIAUKXLZWFFCPU-UHFFFAOYSA-N 2 2 302.466 3.186 20 0 DGADLP COc1cccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1F ZINC000192673935 546235143 /nfs/dbraw/zinc/23/51/43/546235143.db2.gz LFKHQYFGGLVWBK-UHFFFAOYSA-N 2 2 313.376 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000280603163 546383061 /nfs/dbraw/zinc/38/30/61/546383061.db2.gz OFFWXASWALOHBW-XLIONFOSSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000280603163 546383066 /nfs/dbraw/zinc/38/30/66/546383066.db2.gz OFFWXASWALOHBW-XLIONFOSSA-N 2 2 309.457 3.185 20 0 DGADLP C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321723875 546471898 /nfs/dbraw/zinc/47/18/98/546471898.db2.gz ADOQYFONZDMIIS-MRXNPFEDSA-N 2 2 313.445 3.466 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948431 546477788 /nfs/dbraw/zinc/47/77/88/546477788.db2.gz CDFMFUQRNYVPBU-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948431 546477790 /nfs/dbraw/zinc/47/77/90/546477790.db2.gz CDFMFUQRNYVPBU-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000379678000 546736638 /nfs/dbraw/zinc/73/66/38/546736638.db2.gz DRRCKKCVOFOPFA-ROUUACIJSA-N 2 2 304.478 3.038 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000379678000 546736643 /nfs/dbraw/zinc/73/66/43/546736643.db2.gz DRRCKKCVOFOPFA-ROUUACIJSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCc2cccnc21 ZINC000390130365 546752725 /nfs/dbraw/zinc/75/27/25/546752725.db2.gz CWWZKESLWPIFAO-KRWDZBQOSA-N 2 2 306.413 3.407 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390557248 546754386 /nfs/dbraw/zinc/75/43/86/546754386.db2.gz INHDVVXUVKGBQH-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390557248 546754391 /nfs/dbraw/zinc/75/43/91/546754391.db2.gz INHDVVXUVKGBQH-GBESFXJTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419684546 546804599 /nfs/dbraw/zinc/80/45/99/546804599.db2.gz MEHBYMGNMDKADV-KSSFIOAISA-N 2 2 312.461 3.289 20 0 DGADLP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH]cc[nH+]1 ZINC000428472373 546812807 /nfs/dbraw/zinc/81/28/07/546812807.db2.gz HYWYDDYNXKWTHB-QLFBSQMISA-N 2 2 314.433 3.192 20 0 DGADLP C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1[nH]cc[nH+]1 ZINC000428472373 546812813 /nfs/dbraw/zinc/81/28/13/546812813.db2.gz HYWYDDYNXKWTHB-QLFBSQMISA-N 2 2 314.433 3.192 20 0 DGADLP Clc1ccc(OC2CCCC2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479960987 546909632 /nfs/dbraw/zinc/90/96/32/546909632.db2.gz RRWQMEFZUIIISE-GASCZTMLSA-N 2 2 320.864 3.313 20 0 DGADLP Clc1ccc(OC2CCCC2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479960987 546909637 /nfs/dbraw/zinc/90/96/37/546909637.db2.gz RRWQMEFZUIIISE-GASCZTMLSA-N 2 2 320.864 3.313 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000494501058 546935270 /nfs/dbraw/zinc/93/52/70/546935270.db2.gz GSODZYDDWPBNMX-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000494501058 546935276 /nfs/dbraw/zinc/93/52/76/546935276.db2.gz GSODZYDDWPBNMX-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494953812 546936754 /nfs/dbraw/zinc/93/67/54/546936754.db2.gz QSSGQARGIUSDCV-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494953812 546936759 /nfs/dbraw/zinc/93/67/59/546936759.db2.gz QSSGQARGIUSDCV-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494953812 546936764 /nfs/dbraw/zinc/93/67/64/546936764.db2.gz QSSGQARGIUSDCV-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494953812 546936770 /nfs/dbraw/zinc/93/67/70/546936770.db2.gz QSSGQARGIUSDCV-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(Br)cc2)n1C ZINC000667475173 547197214 /nfs/dbraw/zinc/19/72/14/547197214.db2.gz HGDTYWJNPYGEBI-UHFFFAOYSA-N 2 2 308.223 3.123 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(Br)cc2)n1C ZINC000667475173 547197217 /nfs/dbraw/zinc/19/72/17/547197217.db2.gz HGDTYWJNPYGEBI-UHFFFAOYSA-N 2 2 308.223 3.123 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000667561223 547226677 /nfs/dbraw/zinc/22/66/77/547226677.db2.gz PCWWJHVUZPVKIJ-SFHVURJKSA-N 2 2 318.509 3.237 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000667561223 547226678 /nfs/dbraw/zinc/22/66/78/547226678.db2.gz PCWWJHVUZPVKIJ-SFHVURJKSA-N 2 2 318.509 3.237 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000667593030 547238003 /nfs/dbraw/zinc/23/80/03/547238003.db2.gz NRIXZUCBAWTFLM-GOSISDBHSA-N 2 2 318.509 3.381 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000667593030 547238009 /nfs/dbraw/zinc/23/80/09/547238009.db2.gz NRIXZUCBAWTFLM-GOSISDBHSA-N 2 2 318.509 3.381 20 0 DGADLP Fc1ccc(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1F ZINC000667598757 547240222 /nfs/dbraw/zinc/24/02/22/547240222.db2.gz BDOFMDTVISATRF-UHFFFAOYSA-N 2 2 317.383 3.487 20 0 DGADLP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667680391 547271027 /nfs/dbraw/zinc/27/10/27/547271027.db2.gz GIEJRLSIZPCVNA-CQSZACIVSA-N 2 2 316.474 3.358 20 0 DGADLP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667680391 547271033 /nfs/dbraw/zinc/27/10/33/547271033.db2.gz GIEJRLSIZPCVNA-CQSZACIVSA-N 2 2 316.474 3.358 20 0 DGADLP COCc1csc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000667698647 547279206 /nfs/dbraw/zinc/27/92/06/547279206.db2.gz IVYXVMMRIPJBJS-BBRMVZONSA-N 2 2 305.447 3.174 20 0 DGADLP COCc1csc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000667698647 547279209 /nfs/dbraw/zinc/27/92/09/547279209.db2.gz IVYXVMMRIPJBJS-BBRMVZONSA-N 2 2 305.447 3.174 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000667863700 547324017 /nfs/dbraw/zinc/32/40/17/547324017.db2.gz DKIDFGRMDJHVRX-JCGIZDLHSA-N 2 2 302.462 3.273 20 0 DGADLP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000667943995 547341104 /nfs/dbraw/zinc/34/11/04/547341104.db2.gz CRVMJVMYXHJAAR-YVEFUNNKSA-N 2 2 319.836 3.349 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c[nH+]c3n1CCC3)[C@H]2C ZINC000667963627 547348599 /nfs/dbraw/zinc/34/85/99/547348599.db2.gz OQMFWEYOHXGJLR-KBPBESRZSA-N 2 2 311.429 3.346 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c[nH+]c3n1CCC3)[C@H]2C ZINC000667963627 547348605 /nfs/dbraw/zinc/34/86/05/547348605.db2.gz OQMFWEYOHXGJLR-KBPBESRZSA-N 2 2 311.429 3.346 20 0 DGADLP C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667965760 547350118 /nfs/dbraw/zinc/35/01/18/547350118.db2.gz QINANZIZGXREEK-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667965760 547350123 /nfs/dbraw/zinc/35/01/23/547350123.db2.gz QINANZIZGXREEK-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP Clc1cccc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668192428 547410651 /nfs/dbraw/zinc/41/06/51/547410651.db2.gz BHFMCPRJGDSFFW-CQSZACIVSA-N 2 2 301.821 3.472 20 0 DGADLP Clc1cccc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668192428 547410656 /nfs/dbraw/zinc/41/06/56/547410656.db2.gz BHFMCPRJGDSFFW-CQSZACIVSA-N 2 2 301.821 3.472 20 0 DGADLP Clc1cccc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668192427 547411272 /nfs/dbraw/zinc/41/12/72/547411272.db2.gz BHFMCPRJGDSFFW-AWEZNQCLSA-N 2 2 301.821 3.472 20 0 DGADLP Clc1cccc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668192427 547411276 /nfs/dbraw/zinc/41/12/76/547411276.db2.gz BHFMCPRJGDSFFW-AWEZNQCLSA-N 2 2 301.821 3.472 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668200453 547413488 /nfs/dbraw/zinc/41/34/88/547413488.db2.gz YJLXTNCWKCVQBH-CXAGYDPISA-N 2 2 317.820 3.183 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCC1 ZINC000668214870 547417012 /nfs/dbraw/zinc/41/70/12/547417012.db2.gz NPGVITSEXKKTNG-OALUTQOASA-N 2 2 314.473 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCC1 ZINC000668214870 547417017 /nfs/dbraw/zinc/41/70/17/547417017.db2.gz NPGVITSEXKKTNG-OALUTQOASA-N 2 2 314.473 3.198 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)n1C ZINC000668224923 547421231 /nfs/dbraw/zinc/42/12/31/547421231.db2.gz AGFLUXNWCATZJM-UHFFFAOYSA-N 2 2 309.335 3.347 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1C ZINC000668229668 547423654 /nfs/dbraw/zinc/42/36/54/547423654.db2.gz PQUGUCPTBQANHG-SFHVURJKSA-N 2 2 313.445 3.112 20 0 DGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000668236333 547426193 /nfs/dbraw/zinc/42/61/93/547426193.db2.gz ICSBSDVKJKDQKB-UHFFFAOYSA-N 2 2 306.479 3.089 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539782 547474639 /nfs/dbraw/zinc/47/46/39/547474639.db2.gz MHSMAJBPNZYXQB-HNNXBMFYSA-N 2 2 321.484 3.301 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539782 547474642 /nfs/dbraw/zinc/47/46/42/547474642.db2.gz MHSMAJBPNZYXQB-HNNXBMFYSA-N 2 2 321.484 3.301 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C/c2ccc(F)c(F)c2)CCO1 ZINC000668784728 547540407 /nfs/dbraw/zinc/54/04/07/547540407.db2.gz HUZGFXYFFFZRAB-WMHVBEDNSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C/c2ccc(F)c(F)c2)CCO1 ZINC000668784728 547540412 /nfs/dbraw/zinc/54/04/12/547540412.db2.gz HUZGFXYFFFZRAB-WMHVBEDNSA-N 2 2 324.415 3.021 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000669614746 547661265 /nfs/dbraw/zinc/66/12/65/547661265.db2.gz QICYPPCHRIXYCE-MAUKXSAKSA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000669614746 547661268 /nfs/dbraw/zinc/66/12/68/547661268.db2.gz QICYPPCHRIXYCE-MAUKXSAKSA-N 2 2 300.446 3.147 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000669927528 547708116 /nfs/dbraw/zinc/70/81/16/547708116.db2.gz GUHSGSLGZAQVRW-CQSZACIVSA-N 2 2 322.522 3.496 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cc(C)cc(C)c1 ZINC000674373468 548072575 /nfs/dbraw/zinc/07/25/75/548072575.db2.gz SAUBVWTUWQLBQH-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cc(C)cc(C)c1 ZINC000674373468 548072577 /nfs/dbraw/zinc/07/25/77/548072577.db2.gz SAUBVWTUWQLBQH-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cc(C)cc(C)c1 ZINC000674373468 548072582 /nfs/dbraw/zinc/07/25/82/548072582.db2.gz SAUBVWTUWQLBQH-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cc(C)cc(C)c1 ZINC000674373468 548072585 /nfs/dbraw/zinc/07/25/85/548072585.db2.gz SAUBVWTUWQLBQH-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000675762262 548266049 /nfs/dbraw/zinc/26/60/49/548266049.db2.gz NWBVMOXKBGDONO-UXHICEINSA-N 2 2 323.484 3.028 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768020 548267061 /nfs/dbraw/zinc/26/70/61/548267061.db2.gz VMQXIHUVQBIAQW-WFASDCNBSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768020 548267063 /nfs/dbraw/zinc/26/70/63/548267063.db2.gz VMQXIHUVQBIAQW-WFASDCNBSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675820567 548278419 /nfs/dbraw/zinc/27/84/19/548278419.db2.gz MKYDVKAXALFZTQ-ABSDTBQOSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675820567 548278423 /nfs/dbraw/zinc/27/84/23/548278423.db2.gz MKYDVKAXALFZTQ-ABSDTBQOSA-N 3 2 315.505 3.142 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882026 548284810 /nfs/dbraw/zinc/28/48/10/548284810.db2.gz POPLZOKPFIXLGF-RDJZCZTQSA-N 2 2 318.486 3.066 20 0 DGADLP Cc1cccn2cc(CCNc3[nH+]c4ccccc4n3C)[nH+]c12 ZINC000676197434 548330822 /nfs/dbraw/zinc/33/08/22/548330822.db2.gz KHIKHNDMLAUPMO-UHFFFAOYSA-N 2 2 305.385 3.184 20 0 DGADLP Fc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1ccccc1 ZINC000676557329 548380219 /nfs/dbraw/zinc/38/02/19/548380219.db2.gz RTSAQHHVUZCKSJ-HOTGVXAUSA-N 2 2 312.388 3.269 20 0 DGADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000677242027 548475226 /nfs/dbraw/zinc/47/52/26/548475226.db2.gz WIRGCIXGDLERSE-HOJAQTOUSA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000677242027 548475231 /nfs/dbraw/zinc/47/52/31/548475231.db2.gz WIRGCIXGDLERSE-HOJAQTOUSA-N 2 2 314.473 3.228 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748998 548549370 /nfs/dbraw/zinc/54/93/70/548549370.db2.gz GABBYANIOYFXOC-ILZDJORESA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748998 548549371 /nfs/dbraw/zinc/54/93/71/548549371.db2.gz GABBYANIOYFXOC-ILZDJORESA-N 2 2 318.505 3.426 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2(C)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749106 548549638 /nfs/dbraw/zinc/54/96/38/548549638.db2.gz FPLGZTVUNNPGEF-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2(C)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000677749106 548549641 /nfs/dbraw/zinc/54/96/41/548549641.db2.gz FPLGZTVUNNPGEF-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804344 548557919 /nfs/dbraw/zinc/55/79/19/548557919.db2.gz FJTINVAFUQXOMA-RYQLBKOJSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804344 548557924 /nfs/dbraw/zinc/55/79/24/548557924.db2.gz FJTINVAFUQXOMA-RYQLBKOJSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806777 548559132 /nfs/dbraw/zinc/55/91/32/548559132.db2.gz NUCTZESXITZKBC-QRQLOZEOSA-N 2 2 318.505 3.426 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806777 548559137 /nfs/dbraw/zinc/55/91/37/548559137.db2.gz NUCTZESXITZKBC-QRQLOZEOSA-N 2 2 318.505 3.426 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3nccc4ccccc43)CC2)c1 ZINC000678185149 548635046 /nfs/dbraw/zinc/63/50/46/548635046.db2.gz VNYKJIDFZCIUCZ-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235884 548649844 /nfs/dbraw/zinc/64/98/44/548649844.db2.gz ZFFFKIDIWJQHGO-KRWDZBQOSA-N 2 2 322.412 3.277 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235884 548649847 /nfs/dbraw/zinc/64/98/47/548649847.db2.gz ZFFFKIDIWJQHGO-KRWDZBQOSA-N 2 2 322.412 3.277 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000678265153 548660334 /nfs/dbraw/zinc/66/03/34/548660334.db2.gz YHPOOZPCIWLQFY-WBVHZDCISA-N 2 2 320.477 3.256 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000678265153 548660338 /nfs/dbraw/zinc/66/03/38/548660338.db2.gz YHPOOZPCIWLQFY-WBVHZDCISA-N 2 2 320.477 3.256 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678500471 548718085 /nfs/dbraw/zinc/71/80/85/548718085.db2.gz RQPMEDRCICOTBJ-GOSISDBHSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678500471 548718088 /nfs/dbraw/zinc/71/80/88/548718088.db2.gz RQPMEDRCICOTBJ-GOSISDBHSA-N 2 2 318.505 3.428 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000678822957 548771271 /nfs/dbraw/zinc/77/12/71/548771271.db2.gz MTZJKQMWZBLDMM-SFHVURJKSA-N 2 2 321.428 3.121 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000678822957 548771276 /nfs/dbraw/zinc/77/12/76/548771276.db2.gz MTZJKQMWZBLDMM-SFHVURJKSA-N 2 2 321.428 3.121 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678833831 548775073 /nfs/dbraw/zinc/77/50/73/548775073.db2.gz QOJIHXVVBWHZPJ-CQSZACIVSA-N 2 2 305.491 3.082 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678833831 548775076 /nfs/dbraw/zinc/77/50/76/548775076.db2.gz QOJIHXVVBWHZPJ-CQSZACIVSA-N 2 2 305.491 3.082 20 0 DGADLP CCC(CC)C[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000678930539 548795462 /nfs/dbraw/zinc/79/54/62/548795462.db2.gz SZUPBBONRQRXEZ-IBGZPJMESA-N 2 2 304.478 3.039 20 0 DGADLP CCC(CC)C[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000678930539 548795464 /nfs/dbraw/zinc/79/54/64/548795464.db2.gz SZUPBBONRQRXEZ-IBGZPJMESA-N 2 2 304.478 3.039 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1F ZINC000678945508 548798883 /nfs/dbraw/zinc/79/88/83/548798883.db2.gz OLLHNTYNRONVMU-DZGCQCFKSA-N 2 2 324.415 3.259 20 0 DGADLP C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)C1CC[NH+](C)CC1 ZINC000679007461 548811878 /nfs/dbraw/zinc/81/18/78/548811878.db2.gz IAKWOFINAIAGRJ-OAHLLOKOSA-N 2 2 302.466 3.214 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045980 548822376 /nfs/dbraw/zinc/82/23/76/548822376.db2.gz YPVKINDJIBBQOG-LNLFQRSKSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045980 548822373 /nfs/dbraw/zinc/82/23/73/548822373.db2.gz YPVKINDJIBBQOG-LNLFQRSKSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)c1c[nH]nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000679330790 548879096 /nfs/dbraw/zinc/87/90/96/548879096.db2.gz ROAGGALBUSEAEJ-KSSFIOAISA-N 2 2 312.461 3.206 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)c1c[nH]nc1C)[N@H+]1CCc2ccccc2C1 ZINC000679330790 548879105 /nfs/dbraw/zinc/87/91/05/548879105.db2.gz ROAGGALBUSEAEJ-KSSFIOAISA-N 2 2 312.461 3.206 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CCCCO)c(C)c1 ZINC000679356800 548884864 /nfs/dbraw/zinc/88/48/64/548884864.db2.gz KEGYYRIODJRGMG-MJGOQNOKSA-N 2 2 315.461 3.382 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1CCCOC1 ZINC000679574388 548919182 /nfs/dbraw/zinc/91/91/82/548919182.db2.gz IAZVHEVUMPWHCB-SZMVWBNQSA-N 2 2 313.445 3.109 20 0 DGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679625476 548925426 /nfs/dbraw/zinc/92/54/26/548925426.db2.gz AUBRGOXXODXDCU-XHDPSFHLSA-N 2 2 314.857 3.177 20 0 DGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CSC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679625476 548925431 /nfs/dbraw/zinc/92/54/31/548925431.db2.gz AUBRGOXXODXDCU-XHDPSFHLSA-N 2 2 314.857 3.177 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000680141857 549003603 /nfs/dbraw/zinc/00/36/03/549003603.db2.gz IOOKQNOTCDHPNS-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000680141857 549003607 /nfs/dbraw/zinc/00/36/07/549003607.db2.gz IOOKQNOTCDHPNS-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccn(C)n1 ZINC000680464554 549054647 /nfs/dbraw/zinc/05/46/47/549054647.db2.gz DARDBTPEAVKKMM-WMZOPIPTSA-N 2 2 323.444 3.178 20 0 DGADLP Cc1ccc2[nH+]ccc(NC3CC[NH+](CC(F)F)CC3)c2c1 ZINC000680621279 549077077 /nfs/dbraw/zinc/07/70/77/549077077.db2.gz ZBSBJXBPEGEPQZ-UHFFFAOYSA-N 2 2 305.372 3.107 20 0 DGADLP COC1CC[NH+](CCNc2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000680854869 549116337 /nfs/dbraw/zinc/11/63/37/549116337.db2.gz CLROJEUHKVFSKG-UHFFFAOYSA-N 2 2 313.445 3.374 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682133047 549293432 /nfs/dbraw/zinc/29/34/32/549293432.db2.gz KMAKIGNKMLMYTE-WOJBJXKFSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000682133047 549293436 /nfs/dbraw/zinc/29/34/36/549293436.db2.gz KMAKIGNKMLMYTE-WOJBJXKFSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682134317 549294231 /nfs/dbraw/zinc/29/42/31/549294231.db2.gz HPQIURZQIZYXQL-WBVHZDCISA-N 2 2 321.428 3.153 20 0 DGADLP Cc1ncc([C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439598 549323463 /nfs/dbraw/zinc/32/34/63/549323463.db2.gz VMELRRQBFHMWON-RDJZCZTQSA-N 2 2 302.466 3.105 20 0 DGADLP Cc1ncc([C@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439598 549323465 /nfs/dbraw/zinc/32/34/65/549323465.db2.gz VMELRRQBFHMWON-RDJZCZTQSA-N 2 2 302.466 3.105 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCOC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000682730460 549363456 /nfs/dbraw/zinc/36/34/56/549363456.db2.gz DBSDCWAUTBKJGG-AWEZNQCLSA-N 2 2 316.367 3.166 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCOC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000682730460 549363451 /nfs/dbraw/zinc/36/34/51/549363451.db2.gz DBSDCWAUTBKJGG-AWEZNQCLSA-N 2 2 316.367 3.166 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000683007288 549413675 /nfs/dbraw/zinc/41/36/75/549413675.db2.gz RDGLAKKPOHVPIK-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000683007288 549413677 /nfs/dbraw/zinc/41/36/77/549413677.db2.gz RDGLAKKPOHVPIK-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000683007289 549413946 /nfs/dbraw/zinc/41/39/46/549413946.db2.gz RDGLAKKPOHVPIK-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000683007289 549413948 /nfs/dbraw/zinc/41/39/48/549413948.db2.gz RDGLAKKPOHVPIK-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000683010098 549414536 /nfs/dbraw/zinc/41/45/36/549414536.db2.gz WRDKMQJIKMDOHW-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000683010098 549414540 /nfs/dbraw/zinc/41/45/40/549414540.db2.gz WRDKMQJIKMDOHW-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000683010098 549414542 /nfs/dbraw/zinc/41/45/42/549414542.db2.gz WRDKMQJIKMDOHW-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000683010098 549414545 /nfs/dbraw/zinc/41/45/45/549414545.db2.gz WRDKMQJIKMDOHW-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000683022736 549417008 /nfs/dbraw/zinc/41/70/08/549417008.db2.gz XRLHTDCXWJUVQE-MRXNPFEDSA-N 2 2 321.371 3.384 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000683022736 549417009 /nfs/dbraw/zinc/41/70/09/549417009.db2.gz XRLHTDCXWJUVQE-MRXNPFEDSA-N 2 2 321.371 3.384 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683436107 549484547 /nfs/dbraw/zinc/48/45/47/549484547.db2.gz LTJFOPKTMPXBRD-NVXWUHKLSA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683436107 549484549 /nfs/dbraw/zinc/48/45/49/549484549.db2.gz LTJFOPKTMPXBRD-NVXWUHKLSA-N 2 2 300.446 3.159 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000684368424 549620210 /nfs/dbraw/zinc/62/02/10/549620210.db2.gz IGDMWCAMNFGOQA-GUDVDZBRSA-N 2 2 302.462 3.371 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000684369326 549621043 /nfs/dbraw/zinc/62/10/43/549621043.db2.gz UCFRJAQMKNZRSD-XHSDSOJGSA-N 2 2 308.491 3.432 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000684611355 549668218 /nfs/dbraw/zinc/66/82/18/549668218.db2.gz FXAIHXIOZIWLOB-LJQANCHMSA-N 2 2 316.489 3.500 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000684967929 549728195 /nfs/dbraw/zinc/72/81/95/549728195.db2.gz AULYOVZTWBUCPT-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000685613817 549780585 /nfs/dbraw/zinc/78/05/85/549780585.db2.gz BILDCXLNQVRQNZ-NRMKIYEFSA-N 2 2 310.388 3.375 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000685613817 549780589 /nfs/dbraw/zinc/78/05/89/549780589.db2.gz BILDCXLNQVRQNZ-NRMKIYEFSA-N 2 2 310.388 3.375 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882069 574944629 /nfs/dbraw/zinc/94/46/29/574944629.db2.gz FWRMROHAFIYRFD-SJLPKXTDSA-N 2 2 323.525 3.020 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882069 574944630 /nfs/dbraw/zinc/94/46/30/574944630.db2.gz FWRMROHAFIYRFD-SJLPKXTDSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882069 574944631 /nfs/dbraw/zinc/94/46/31/574944631.db2.gz FWRMROHAFIYRFD-SJLPKXTDSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882069 574944632 /nfs/dbraw/zinc/94/46/32/574944632.db2.gz FWRMROHAFIYRFD-SJLPKXTDSA-N 2 2 323.525 3.020 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccccc1N1CCCCC1)Cn1cc[nH+]c1 ZINC000742718565 575014564 /nfs/dbraw/zinc/01/45/64/575014564.db2.gz PTQQUPHCMWEWFT-KRWDZBQOSA-N 2 2 312.461 3.299 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743387417 575048623 /nfs/dbraw/zinc/04/86/23/575048623.db2.gz IVIJKUNBVZFPDD-HNNXBMFYSA-N 2 2 318.490 3.233 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743387417 575048624 /nfs/dbraw/zinc/04/86/24/575048624.db2.gz IVIJKUNBVZFPDD-HNNXBMFYSA-N 2 2 318.490 3.233 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855147 575065721 /nfs/dbraw/zinc/06/57/21/575065721.db2.gz DNOQJRNZTFQVKU-GOSISDBHSA-N 2 2 323.525 3.022 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855147 575065722 /nfs/dbraw/zinc/06/57/22/575065722.db2.gz DNOQJRNZTFQVKU-GOSISDBHSA-N 2 2 323.525 3.022 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855147 575065723 /nfs/dbraw/zinc/06/57/23/575065723.db2.gz DNOQJRNZTFQVKU-GOSISDBHSA-N 2 2 323.525 3.022 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855147 575065724 /nfs/dbraw/zinc/06/57/24/575065724.db2.gz DNOQJRNZTFQVKU-GOSISDBHSA-N 2 2 323.525 3.022 20 0 DGADLP CCCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(C)o1 ZINC000746657709 575467087 /nfs/dbraw/zinc/46/70/87/575467087.db2.gz HEFRTZQPIVVFQA-IRXDYDNUSA-N 2 2 308.466 3.208 20 0 DGADLP CCCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1ccc(C)o1 ZINC000746657709 575467089 /nfs/dbraw/zinc/46/70/89/575467089.db2.gz HEFRTZQPIVVFQA-IRXDYDNUSA-N 2 2 308.466 3.208 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515530 575662848 /nfs/dbraw/zinc/66/28/48/575662848.db2.gz TUSDSFRETDPWME-ZBFHGGJFSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515530 575662851 /nfs/dbraw/zinc/66/28/51/575662851.db2.gz TUSDSFRETDPWME-ZBFHGGJFSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000749515530 575662854 /nfs/dbraw/zinc/66/28/54/575662854.db2.gz TUSDSFRETDPWME-ZBFHGGJFSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000749515530 575662857 /nfs/dbraw/zinc/66/28/57/575662857.db2.gz TUSDSFRETDPWME-ZBFHGGJFSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccn1 ZINC000750038274 575699089 /nfs/dbraw/zinc/69/90/89/575699089.db2.gz JQNUJFORPPCYQF-UHFFFAOYSA-N 2 2 307.401 3.073 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccn1 ZINC000750038274 575699091 /nfs/dbraw/zinc/69/90/91/575699091.db2.gz JQNUJFORPPCYQF-UHFFFAOYSA-N 2 2 307.401 3.073 20 0 DGADLP C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750044460 575699919 /nfs/dbraw/zinc/69/99/19/575699919.db2.gz WCMPXCWHPGLATP-HNNXBMFYSA-N 2 2 320.396 3.223 20 0 DGADLP C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750044460 575699921 /nfs/dbraw/zinc/69/99/21/575699921.db2.gz WCMPXCWHPGLATP-HNNXBMFYSA-N 2 2 320.396 3.223 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000750831144 575754975 /nfs/dbraw/zinc/75/49/75/575754975.db2.gz VOBHLYPEIYWMFW-LSDHHAIUSA-N 2 2 303.475 3.165 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000752314206 575832151 /nfs/dbraw/zinc/83/21/51/575832151.db2.gz LTHICXMVJKAIKD-SFHVURJKSA-N 2 2 304.397 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000752314206 575832152 /nfs/dbraw/zinc/83/21/52/575832152.db2.gz LTHICXMVJKAIKD-SFHVURJKSA-N 2 2 304.397 3.084 20 0 DGADLP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000806169549 617651443 /nfs/dbraw/zinc/65/14/43/617651443.db2.gz NEQMINCDZVFDFC-DZIBYMRMSA-N 2 2 318.505 3.480 20 0 DGADLP C[C@@]1(Br)C[C@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000891568130 617838046 /nfs/dbraw/zinc/83/80/46/617838046.db2.gz NBCZYXIJMRCLFY-DZGCQCFKSA-N 2 2 315.299 3.110 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133208 617971296 /nfs/dbraw/zinc/97/12/96/617971296.db2.gz LAGRGZAOOCNGAO-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133208 617971300 /nfs/dbraw/zinc/97/13/00/617971300.db2.gz LAGRGZAOOCNGAO-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133208 617971304 /nfs/dbraw/zinc/97/13/04/617971304.db2.gz LAGRGZAOOCNGAO-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133208 617971309 /nfs/dbraw/zinc/97/13/09/617971309.db2.gz LAGRGZAOOCNGAO-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926497093 618032903 /nfs/dbraw/zinc/03/29/03/618032903.db2.gz SMWIKXHJPSYKFJ-SLEUVZQESA-N 2 2 305.809 3.039 20 0 DGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496885 618032971 /nfs/dbraw/zinc/03/29/71/618032971.db2.gz PEIAFQJEOUGSEG-CHWSQXEVSA-N 2 2 319.836 3.286 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Br)n1 ZINC000926539714 618043062 /nfs/dbraw/zinc/04/30/62/618043062.db2.gz HBZLWGUNIKYFBK-ODWCKFRGSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Br)n1 ZINC000926539714 618043068 /nfs/dbraw/zinc/04/30/68/618043068.db2.gz HBZLWGUNIKYFBK-ODWCKFRGSA-N 2 2 324.266 3.120 20 0 DGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000926556576 618047778 /nfs/dbraw/zinc/04/77/78/618047778.db2.gz YGWWGRARZZDGBP-WMZOPIPTSA-N 2 2 301.478 3.257 20 0 DGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000926556576 618047782 /nfs/dbraw/zinc/04/77/82/618047782.db2.gz YGWWGRARZZDGBP-WMZOPIPTSA-N 2 2 301.478 3.257 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000892739528 618298986 /nfs/dbraw/zinc/29/89/86/618298986.db2.gz HWGXRUMZAIBSLI-KRWDZBQOSA-N 2 2 314.429 3.290 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000892739528 618298992 /nfs/dbraw/zinc/29/89/92/618298992.db2.gz HWGXRUMZAIBSLI-KRWDZBQOSA-N 2 2 314.429 3.290 20 0 DGADLP CCn1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000893078743 618415123 /nfs/dbraw/zinc/41/51/23/618415123.db2.gz GFSVZSIOKKKWIE-SFHVURJKSA-N 2 2 323.444 3.019 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925515115 618452553 /nfs/dbraw/zinc/45/25/53/618452553.db2.gz DKZZKMWLMPAVOT-ZLIFDBKOSA-N 2 2 304.821 3.052 20 0 DGADLP CC1(C)COC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000894869187 618483979 /nfs/dbraw/zinc/48/39/79/618483979.db2.gz PDOTZSHSEOGKRH-OAHLLOKOSA-N 2 2 305.809 3.040 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925569361 618496099 /nfs/dbraw/zinc/49/60/99/618496099.db2.gz PSCSISOMRTXSOI-KCXAZCMYSA-N 2 2 308.853 3.290 20 0 DGADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(Br)cc1 ZINC000925653036 618520650 /nfs/dbraw/zinc/52/06/50/618520650.db2.gz VGQVNIAHKTWNAO-QJFGQYQXSA-N 2 2 321.262 3.096 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925675038 618526343 /nfs/dbraw/zinc/52/63/43/618526343.db2.gz DKZZKMWLMPAVOT-DQYPLSBCSA-N 2 2 304.821 3.052 20 0 DGADLP CSC1(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCC1 ZINC000895114363 618541137 /nfs/dbraw/zinc/54/11/37/618541137.db2.gz ZSCLWDYYJSJDTB-SHTZXODSSA-N 2 2 305.491 3.444 20 0 DGADLP Fc1cccc(/C=C\C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193048 618572381 /nfs/dbraw/zinc/57/23/81/618572381.db2.gz PASIALGUIZJQJI-QDVBSOPMSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1cccc(/C=C\C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000895193048 618572383 /nfs/dbraw/zinc/57/23/83/618572383.db2.gz PASIALGUIZJQJI-QDVBSOPMSA-N 2 2 318.436 3.026 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1Cl ZINC000925778160 618616762 /nfs/dbraw/zinc/61/67/62/618616762.db2.gz IGTGADGDSVZGIH-UWVGGRQHSA-N 2 2 306.759 3.375 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000925794478 618621439 /nfs/dbraw/zinc/62/14/39/618621439.db2.gz LOBLWRLKHLRPEJ-SJORKVTESA-N 2 2 306.425 3.025 20 0 DGADLP CCCc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795283 618621504 /nfs/dbraw/zinc/62/15/04/618621504.db2.gz OHMGUCKVFRKWIX-VQIMIIECSA-N 2 2 316.489 3.448 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894057025 618701397 /nfs/dbraw/zinc/70/13/97/618701397.db2.gz DUAHGMMHHSPQCJ-MRXNPFEDSA-N 2 2 320.477 3.176 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894057025 618701399 /nfs/dbraw/zinc/70/13/99/618701399.db2.gz DUAHGMMHHSPQCJ-MRXNPFEDSA-N 2 2 320.477 3.176 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889688 618723479 /nfs/dbraw/zinc/72/34/79/618723479.db2.gz PKGRFOVWLPBPOZ-RISCZKNCSA-N 2 2 316.449 3.451 20 0 DGADLP COC1CC[NH+](C2(C[NH2+][C@@H](C)C3(Cl)CC3)CCCC2)CC1 ZINC000924996901 618760056 /nfs/dbraw/zinc/76/00/56/618760056.db2.gz CMYGHTTUZKJRDE-AWEZNQCLSA-N 2 2 314.901 3.160 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000896059552 618868136 /nfs/dbraw/zinc/86/81/36/618868136.db2.gz YETPNRWDVXPOJQ-UHFFFAOYSA-N 2 2 313.489 3.411 20 0 DGADLP Cn1cnc2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc21 ZINC000896194758 618885444 /nfs/dbraw/zinc/88/54/44/618885444.db2.gz FOZGWABBKZQHSY-UHFFFAOYSA-N 2 2 321.428 3.045 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)cn1 ZINC000896723756 618948609 /nfs/dbraw/zinc/94/86/09/618948609.db2.gz UEOUTGIWGFALDI-IBGZPJMESA-N 2 2 312.461 3.000 20 0 DGADLP Clc1ccnc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925172546 619065944 /nfs/dbraw/zinc/06/59/44/619065944.db2.gz UBMJTZDSONDVNE-FZMZJTMJSA-N 2 2 302.809 3.086 20 0 DGADLP C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc(-n2cc[nH+]c2)c1 ZINC000925184567 619069239 /nfs/dbraw/zinc/06/92/39/619069239.db2.gz SLXJCULLAQFMMH-KRIWPVKQSA-N 2 2 311.429 3.481 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc1 ZINC000897955454 619198658 /nfs/dbraw/zinc/19/86/58/619198658.db2.gz UWYAGSSUXUKAOG-RYGJVYDSSA-N 2 2 313.489 3.500 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccccc2SC(F)(F)F)CC1 ZINC000898280902 619231820 /nfs/dbraw/zinc/23/18/20/619231820.db2.gz JAWXFUGOBWBCKM-UHFFFAOYSA-N 2 2 304.381 3.482 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924623221 619246652 /nfs/dbraw/zinc/24/66/52/619246652.db2.gz HGRKDKSXTBGUNY-MRXNPFEDSA-N 2 2 306.413 3.047 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)O1 ZINC000926904665 619246719 /nfs/dbraw/zinc/24/67/19/619246719.db2.gz IAJYQJXOKMNSNK-TUVASFSCSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)O1 ZINC000926904665 619246721 /nfs/dbraw/zinc/24/67/21/619246721.db2.gz IAJYQJXOKMNSNK-TUVASFSCSA-N 2 2 320.399 3.093 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c[nH+]1 ZINC000924625704 619247760 /nfs/dbraw/zinc/24/77/60/619247760.db2.gz QSXWPNNFWPZETH-AYHJJNSGSA-N 2 2 313.470 3.448 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000926953344 619252310 /nfs/dbraw/zinc/25/23/10/619252310.db2.gz AUQIXHKCPPLIFM-IEBWSBKVSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000926953344 619252313 /nfs/dbraw/zinc/25/23/13/619252313.db2.gz AUQIXHKCPPLIFM-IEBWSBKVSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000926953346 619252387 /nfs/dbraw/zinc/25/23/87/619252387.db2.gz AUQIXHKCPPLIFM-PKOBYXMFSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000926953346 619252388 /nfs/dbraw/zinc/25/23/88/619252388.db2.gz AUQIXHKCPPLIFM-PKOBYXMFSA-N 2 2 324.472 3.094 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC2(C)C)CCOCC1 ZINC000926959976 619252456 /nfs/dbraw/zinc/25/24/56/619252456.db2.gz UGYHZOPPFJYKHY-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC2(C)C)CCOCC1 ZINC000926959976 619252459 /nfs/dbraw/zinc/25/24/59/619252459.db2.gz UGYHZOPPFJYKHY-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000926960105 619252562 /nfs/dbraw/zinc/25/25/62/619252562.db2.gz MAYDGGFQPJSAPG-GHMZBOCLSA-N 2 2 324.412 3.384 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000926961925 619252955 /nfs/dbraw/zinc/25/29/55/619252955.db2.gz PVFHPNJEGOJYAN-YPMHNXCESA-N 2 2 302.821 3.096 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)C[NH+](C)C ZINC000926961658 619253025 /nfs/dbraw/zinc/25/30/25/619253025.db2.gz KAJHVVFSVVAMKR-CHWSQXEVSA-N 2 2 318.383 3.323 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651176 619253751 /nfs/dbraw/zinc/25/37/51/619253751.db2.gz WLYNXOYRXACLIG-GJZGRUSLSA-N 2 2 311.429 3.477 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651176 619253755 /nfs/dbraw/zinc/25/37/55/619253755.db2.gz WLYNXOYRXACLIG-GJZGRUSLSA-N 2 2 311.429 3.477 20 0 DGADLP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000926965671 619253857 /nfs/dbraw/zinc/25/38/57/619253857.db2.gz RXEJWNSPUQDMMY-OUCADQQQSA-N 2 2 314.520 3.230 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000926965388 619254034 /nfs/dbraw/zinc/25/40/34/619254034.db2.gz QMOOMNCKGYXQKK-DOMZBBRYSA-N 2 2 318.383 3.323 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nonc2C)c1 ZINC000924709674 619262138 /nfs/dbraw/zinc/26/21/38/619262138.db2.gz YWVLZWRYXHKPFQ-CYBMUJFWSA-N 2 2 302.422 3.071 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415335 619632443 /nfs/dbraw/zinc/63/24/43/619632443.db2.gz DUXVDEXEQLYRAO-LBPRGKRZSA-N 2 2 301.459 3.184 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902436538 619635732 /nfs/dbraw/zinc/63/57/32/619635732.db2.gz ZESNCYQMSYHYQJ-PBESMTTMSA-N 2 2 322.452 3.402 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000902439951 619636649 /nfs/dbraw/zinc/63/66/49/619636649.db2.gz VOBZXZCGRFLFTN-MBOZVWFJSA-N 2 2 324.424 3.123 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H](C)c1nc2ccccc2s1 ZINC000902470985 619642248 /nfs/dbraw/zinc/64/22/48/619642248.db2.gz IJCANDOGRKUPEC-GGAZOKNXSA-N 2 2 301.459 3.271 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(F)(F)F)cn1 ZINC000902721314 619665800 /nfs/dbraw/zinc/66/58/00/619665800.db2.gz VINPPAKYVJBWTP-LLVKDONJSA-N 2 2 303.372 3.339 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742648 619669057 /nfs/dbraw/zinc/66/90/57/619669057.db2.gz VEQOWPLPTMSKGR-HOTGVXAUSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742648 619669060 /nfs/dbraw/zinc/66/90/60/619669060.db2.gz VEQOWPLPTMSKGR-HOTGVXAUSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747960 619669944 /nfs/dbraw/zinc/66/99/44/619669944.db2.gz JMIGHGNWKPMTQY-ZYSHUDEJSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747960 619669945 /nfs/dbraw/zinc/66/99/45/619669945.db2.gz JMIGHGNWKPMTQY-ZYSHUDEJSA-N 2 2 310.445 3.150 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000902748548 619669986 /nfs/dbraw/zinc/66/99/86/619669986.db2.gz NMGRLHYJMKGSJJ-QGTPRVQTSA-N 2 2 316.445 3.059 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000902748548 619669987 /nfs/dbraw/zinc/66/99/87/619669987.db2.gz NMGRLHYJMKGSJJ-QGTPRVQTSA-N 2 2 316.445 3.059 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753486 619670320 /nfs/dbraw/zinc/67/03/20/619670320.db2.gz QENCXEUHRDDGLY-UBHSHLNASA-N 2 2 313.367 3.378 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753486 619670322 /nfs/dbraw/zinc/67/03/22/619670322.db2.gz QENCXEUHRDDGLY-UBHSHLNASA-N 2 2 313.367 3.378 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902754923 619670686 /nfs/dbraw/zinc/67/06/86/619670686.db2.gz IZWBDLFGOOVBFD-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761126 619672019 /nfs/dbraw/zinc/67/20/19/619672019.db2.gz KPYPLOPIJFCHJB-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902761126 619672022 /nfs/dbraw/zinc/67/20/22/619672022.db2.gz KPYPLOPIJFCHJB-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)Cn1cc[nH+]c1 ZINC000902776301 619674011 /nfs/dbraw/zinc/67/40/11/619674011.db2.gz OVYKRGQYSJVYFF-NJAFHUGGSA-N 2 2 305.466 3.094 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902801994 619675623 /nfs/dbraw/zinc/67/56/23/619675623.db2.gz HHMLVGWBVBVHND-MPGHIAIKSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902806996 619676011 /nfs/dbraw/zinc/67/60/11/619676011.db2.gz UCCODEXPTHZIPL-APWZRJJASA-N 2 2 321.424 3.127 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000902817107 619681473 /nfs/dbraw/zinc/68/14/73/619681473.db2.gz VPNZLNKXFXVXNS-RHSMWYFYSA-N 2 2 311.385 3.158 20 0 DGADLP CC(C)C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CCOCC1 ZINC000902835859 619682145 /nfs/dbraw/zinc/68/21/45/619682145.db2.gz QIQBGZVXSRHVIY-KRWDZBQOSA-N 2 2 305.466 3.315 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(-n2ccnc2)c1 ZINC000902835574 619682262 /nfs/dbraw/zinc/68/22/62/619682262.db2.gz KAOCHXJBLHUEPB-MRXNPFEDSA-N 2 2 321.428 3.420 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1COc2ccccc2C1 ZINC000902835780 619682370 /nfs/dbraw/zinc/68/23/70/619682370.db2.gz OXPRUNLMYDSVHW-DOTOQJQBSA-N 2 2 311.429 3.113 20 0 DGADLP C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902954079 619696829 /nfs/dbraw/zinc/69/68/29/619696829.db2.gz PXIUSMGOKBGKSS-FNHZYXHNSA-N 2 2 311.429 3.481 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902954080 619696895 /nfs/dbraw/zinc/69/68/95/619696895.db2.gz PXIUSMGOKBGKSS-POZUXBRTSA-N 2 2 311.429 3.481 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000902962175 619698051 /nfs/dbraw/zinc/69/80/51/619698051.db2.gz DMDXBYYFJPZQMH-JCKWVBRZSA-N 2 2 311.429 3.120 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903023693 619706170 /nfs/dbraw/zinc/70/61/70/619706170.db2.gz HUEKJINDNZOJQQ-MAZHCROVSA-N 2 2 321.371 3.072 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048269 619710675 /nfs/dbraw/zinc/71/06/75/619710675.db2.gz LJDOTGBGSFIIAL-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903094974 619719097 /nfs/dbraw/zinc/71/90/97/619719097.db2.gz QVYHFTZGAIOVHI-OAHLLOKOSA-N 2 2 311.429 3.482 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000903345427 619760990 /nfs/dbraw/zinc/76/09/90/619760990.db2.gz WGBCRGYNPVYFGF-IBGZPJMESA-N 2 2 316.489 3.476 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000903345427 619760992 /nfs/dbraw/zinc/76/09/92/619760992.db2.gz WGBCRGYNPVYFGF-IBGZPJMESA-N 2 2 316.489 3.476 20 0 DGADLP COC1(C[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCC1 ZINC000903380544 619768791 /nfs/dbraw/zinc/76/87/91/619768791.db2.gz NMINVGGOKUGFDN-NVXWUHKLSA-N 2 2 305.466 3.012 20 0 DGADLP C[C@H](CCc1ccco1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903384692 619769565 /nfs/dbraw/zinc/76/95/65/619769565.db2.gz SQTSQDNJVUUGNU-CRAIPNDOSA-N 2 2 301.434 3.278 20 0 DGADLP Cc1ncccc1CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903417920 619773062 /nfs/dbraw/zinc/77/30/62/619773062.db2.gz HJYNEFLKPDOMCE-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP OCC[NH2+]C1CC[NH+](Cc2cc(Cl)cc3ccccc32)CC1 ZINC000903476589 619780365 /nfs/dbraw/zinc/78/03/65/619780365.db2.gz BPFDPMXZUSDBFP-UHFFFAOYSA-N 2 2 318.848 3.040 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@@H]1CCCC[NH2+]C1 ZINC000903718438 619802972 /nfs/dbraw/zinc/80/29/72/619802972.db2.gz MMIACBSSDQUABM-QGZVFWFLSA-N 2 2 317.477 3.035 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@H]1CCCC[NH2+]C1 ZINC000903718438 619802975 /nfs/dbraw/zinc/80/29/75/619802975.db2.gz MMIACBSSDQUABM-QGZVFWFLSA-N 2 2 317.477 3.035 20 0 DGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805651 619816470 /nfs/dbraw/zinc/81/64/70/619816470.db2.gz QOLGQMWIGNEARX-QBPKDAKJSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805651 619816474 /nfs/dbraw/zinc/81/64/74/619816474.db2.gz QOLGQMWIGNEARX-QBPKDAKJSA-N 2 2 306.400 3.239 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(CC3CCCCC3)CC2)n1 ZINC000903824262 619819817 /nfs/dbraw/zinc/81/98/17/619819817.db2.gz OTXUIORGFWTOLX-UHFFFAOYSA-N 2 2 320.481 3.446 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(Cc3ccccc3)n1)C2 ZINC000903844011 619823044 /nfs/dbraw/zinc/82/30/44/619823044.db2.gz ZGBBCDGMGLZCQZ-ZOBUZTSGSA-N 2 2 313.470 3.046 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(Cc3ccccc3)n1)C2 ZINC000903844011 619823049 /nfs/dbraw/zinc/82/30/49/619823049.db2.gz ZGBBCDGMGLZCQZ-ZOBUZTSGSA-N 2 2 313.470 3.046 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000903846024 619823386 /nfs/dbraw/zinc/82/33/86/619823386.db2.gz MAFLHWDXTMQUMA-SUHUHFCYSA-N 2 2 305.472 3.183 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000903846024 619823387 /nfs/dbraw/zinc/82/33/87/619823387.db2.gz MAFLHWDXTMQUMA-SUHUHFCYSA-N 2 2 305.472 3.183 20 0 DGADLP c1ccc([C@@H]2CCC[C@H](C[N@@H+]3CCC[C@]34CC[NH2+]C4)O2)cc1 ZINC000903870940 619827307 /nfs/dbraw/zinc/82/73/07/619827307.db2.gz PXENYFUODFAWIP-CEXWTWQISA-N 2 2 300.446 3.125 20 0 DGADLP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CCC[C@]34CC[NH2+]C4)O2)cc1 ZINC000903870940 619827308 /nfs/dbraw/zinc/82/73/08/619827308.db2.gz PXENYFUODFAWIP-CEXWTWQISA-N 2 2 300.446 3.125 20 0 DGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000903887115 619828315 /nfs/dbraw/zinc/82/83/15/619828315.db2.gz YXWBHZLVCFKXRQ-OAHLLOKOSA-N 2 2 300.368 3.063 20 0 DGADLP CCC1([NH3+])CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000903946794 619843962 /nfs/dbraw/zinc/84/39/62/619843962.db2.gz ACQQDQAJWOBDET-UHFFFAOYSA-N 2 2 318.852 3.229 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000903955877 619847027 /nfs/dbraw/zinc/84/70/27/619847027.db2.gz BPEDCWQLJHUSKE-QMMMGPOBSA-N 2 2 315.216 3.389 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904337281 619912630 /nfs/dbraw/zinc/91/26/30/619912630.db2.gz SZYRYTJJGLVVMO-IBGZPJMESA-N 2 2 317.477 3.035 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904337281 619912633 /nfs/dbraw/zinc/91/26/33/619912633.db2.gz SZYRYTJJGLVVMO-IBGZPJMESA-N 2 2 317.477 3.035 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000904430704 619921738 /nfs/dbraw/zinc/92/17/38/619921738.db2.gz TZTDFDXPDFLVKH-HXUWFJFHSA-N 2 2 324.472 3.114 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000904430704 619921739 /nfs/dbraw/zinc/92/17/39/619921739.db2.gz TZTDFDXPDFLVKH-HXUWFJFHSA-N 2 2 324.472 3.114 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+]CC2([NH3+])CC2)cc1OCC ZINC000904451348 619923626 /nfs/dbraw/zinc/92/36/26/619923626.db2.gz XOZSMZQNJZHAET-UHFFFAOYSA-N 2 2 312.841 3.108 20 0 DGADLP [NH3+][C@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)C1CCCCCC1 ZINC000904708549 619943632 /nfs/dbraw/zinc/94/36/32/619943632.db2.gz OMSGQASIAYHTRU-HNNXBMFYSA-N 2 2 311.389 3.355 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000925391278 620463785 /nfs/dbraw/zinc/46/37/85/620463785.db2.gz WMCCKWUCVJAKQA-MRXNPFEDSA-N 2 2 317.477 3.114 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccnn1C1CCC1)C1CCCCC1 ZINC000921501641 620875304 /nfs/dbraw/zinc/87/53/04/620875304.db2.gz MLMJNDPVUGBAFV-UHFFFAOYSA-N 2 2 304.482 3.352 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccnn1C1CCC1)C1CCCCC1 ZINC000921501641 620875308 /nfs/dbraw/zinc/87/53/08/620875308.db2.gz MLMJNDPVUGBAFV-UHFFFAOYSA-N 2 2 304.482 3.352 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc2O1 ZINC000921605008 620913154 /nfs/dbraw/zinc/91/31/54/620913154.db2.gz YMDGCZCHHUCWLA-HNNXBMFYSA-N 2 2 319.408 3.486 20 0 DGADLP Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(C2CCCC2)n1 ZINC000921822835 620956352 /nfs/dbraw/zinc/95/63/52/620956352.db2.gz XRTMJBFZBKGVKR-UHFFFAOYSA-N 2 2 313.449 3.065 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921915614 620968154 /nfs/dbraw/zinc/96/81/54/620968154.db2.gz VQGRMAICQPVYCS-ZDUSSCGKSA-N 2 2 324.900 3.398 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921915614 620968160 /nfs/dbraw/zinc/96/81/60/620968160.db2.gz VQGRMAICQPVYCS-ZDUSSCGKSA-N 2 2 324.900 3.398 20 0 DGADLP c1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n(C2CCC2)n1 ZINC000922336526 621026965 /nfs/dbraw/zinc/02/69/65/621026965.db2.gz YKMONPUDNKCEPP-IBGZPJMESA-N 2 2 321.428 3.336 20 0 DGADLP ClC1(Cl)C[C@@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000857065626 621053494 /nfs/dbraw/zinc/05/34/94/621053494.db2.gz RSRKCYWWBLKOHS-LBPRGKRZSA-N 2 2 314.260 3.224 20 0 DGADLP C[C@H]1CCC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747299 621092854 /nfs/dbraw/zinc/09/28/54/621092854.db2.gz XTIMJSPXOAKYMC-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CCC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747299 621092856 /nfs/dbraw/zinc/09/28/56/621092856.db2.gz XTIMJSPXOAKYMC-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccccc2)CCOCC1 ZINC000922748187 621093066 /nfs/dbraw/zinc/09/30/66/621093066.db2.gz PPQQKJATQNDJJH-UHFFFAOYSA-N 2 2 324.468 3.457 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccccc2)CCOCC1 ZINC000922748187 621093069 /nfs/dbraw/zinc/09/30/69/621093069.db2.gz PPQQKJATQNDJJH-UHFFFAOYSA-N 2 2 324.468 3.457 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cnn(C)c1 ZINC000922893030 621120396 /nfs/dbraw/zinc/12/03/96/621120396.db2.gz HFEKADGSLFRXTJ-INIZCTEOSA-N 2 2 315.446 3.154 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863863 621124987 /nfs/dbraw/zinc/12/49/87/621124987.db2.gz BUWJRTVUVPDVGS-QRTARXTBSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863863 621124988 /nfs/dbraw/zinc/12/49/88/621124988.db2.gz BUWJRTVUVPDVGS-QRTARXTBSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863863 621124992 /nfs/dbraw/zinc/12/49/92/621124992.db2.gz BUWJRTVUVPDVGS-QRTARXTBSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863863 621124994 /nfs/dbraw/zinc/12/49/94/621124994.db2.gz BUWJRTVUVPDVGS-QRTARXTBSA-N 2 2 302.466 3.030 20 0 DGADLP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922950985 621136623 /nfs/dbraw/zinc/13/66/23/621136623.db2.gz HDDDATDGRJAPMG-LJQANCHMSA-N 2 2 310.441 3.183 20 0 DGADLP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922950985 621136625 /nfs/dbraw/zinc/13/66/25/621136625.db2.gz HDDDATDGRJAPMG-LJQANCHMSA-N 2 2 310.441 3.183 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157330 621159736 /nfs/dbraw/zinc/15/97/36/621159736.db2.gz DLILSLFGUUWBRC-JKSUJKDBSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157330 621159738 /nfs/dbraw/zinc/15/97/38/621159738.db2.gz DLILSLFGUUWBRC-JKSUJKDBSA-N 2 2 304.482 3.304 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]CC2(C(F)(F)F)CCCC2)s1 ZINC000858308230 621173882 /nfs/dbraw/zinc/17/38/82/621173882.db2.gz VGSQGASQWLBTMO-UHFFFAOYSA-N 2 2 321.412 3.417 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923323415 621176493 /nfs/dbraw/zinc/17/64/93/621176493.db2.gz UGZHBJPPWQAEMG-FBVQUNGASA-N 3 2 316.493 3.003 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923323415 621176495 /nfs/dbraw/zinc/17/64/95/621176495.db2.gz UGZHBJPPWQAEMG-FBVQUNGASA-N 3 2 316.493 3.003 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2scnc21 ZINC000858352844 621179852 /nfs/dbraw/zinc/17/98/52/621179852.db2.gz GLSZUFSYXNXYBP-JSGCOSHPSA-N 2 2 304.463 3.422 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000838783193 621279966 /nfs/dbraw/zinc/27/99/66/621279966.db2.gz UXXXFZHZXBLYHM-MRXNPFEDSA-N 2 2 319.836 3.159 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000838783193 621279967 /nfs/dbraw/zinc/27/99/67/621279967.db2.gz UXXXFZHZXBLYHM-MRXNPFEDSA-N 2 2 319.836 3.159 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899369 621300479 /nfs/dbraw/zinc/30/04/79/621300479.db2.gz UXPROCQGLVNGAL-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899369 621300483 /nfs/dbraw/zinc/30/04/83/621300483.db2.gz UXPROCQGLVNGAL-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899369 621300487 /nfs/dbraw/zinc/30/04/87/621300487.db2.gz UXPROCQGLVNGAL-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899369 621300491 /nfs/dbraw/zinc/30/04/91/621300491.db2.gz UXPROCQGLVNGAL-WMLDXEAASA-N 2 2 319.880 3.492 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000753670514 621458986 /nfs/dbraw/zinc/45/89/86/621458986.db2.gz AKUZLCRTNSUZHI-CRAIPNDOSA-N 2 2 322.518 3.400 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C2CC2)c1 ZINC000753861374 621469239 /nfs/dbraw/zinc/46/92/39/621469239.db2.gz ZYBZANJEQYANAO-UZLBHIALSA-N 2 2 316.489 3.480 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000863544712 621682507 /nfs/dbraw/zinc/68/25/07/621682507.db2.gz BYTBTOQSCIWULN-FXPVBKGRSA-N 2 2 302.249 3.367 20 0 DGADLP c1cn(Cc2cccc(-c3cccc([C@H]4COCC[NH2+]4)c3)c2)c[nH+]1 ZINC000863690238 621701107 /nfs/dbraw/zinc/70/11/07/621701107.db2.gz NMBARZHEBGODQT-HXUWFJFHSA-N 2 2 319.408 3.259 20 0 DGADLP CCOc1ccccc1C[N@H+](CCF)CCCn1cc[nH+]c1 ZINC000759344528 621847530 /nfs/dbraw/zinc/84/75/30/621847530.db2.gz ZMOCDYHHEDDAAA-UHFFFAOYSA-N 2 2 305.397 3.144 20 0 DGADLP CCOc1ccccc1C[N@@H+](CCF)CCCn1cc[nH+]c1 ZINC000759344528 621847533 /nfs/dbraw/zinc/84/75/33/621847533.db2.gz ZMOCDYHHEDDAAA-UHFFFAOYSA-N 2 2 305.397 3.144 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865404260 621911044 /nfs/dbraw/zinc/91/10/44/621911044.db2.gz HBILCBLLEYPWNR-UHFFFAOYSA-N 2 2 316.367 3.390 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnn1CC1CCC1 ZINC000865425867 621918447 /nfs/dbraw/zinc/91/84/47/621918447.db2.gz UFIFHNZAZBLMQA-KRWDZBQOSA-N 2 2 315.465 3.084 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(CO)c1 ZINC000760158083 621918532 /nfs/dbraw/zinc/91/85/32/621918532.db2.gz UIPHXMWJLZBTTQ-WMLDXEAASA-N 2 2 301.434 3.141 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865455719 621925693 /nfs/dbraw/zinc/92/56/93/621925693.db2.gz FBGLDOHKENZJFS-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865455719 621925696 /nfs/dbraw/zinc/92/56/96/621925696.db2.gz FBGLDOHKENZJFS-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@H](C)C1 ZINC000865478858 621930965 /nfs/dbraw/zinc/93/09/65/621930965.db2.gz QLKLVKCEYLWBSD-ABAIWWIYSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@H](C)C1 ZINC000865478858 621930967 /nfs/dbraw/zinc/93/09/67/621930967.db2.gz QLKLVKCEYLWBSD-ABAIWWIYSA-N 2 2 316.367 3.247 20 0 DGADLP O=c1[nH]ccc2oc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc21 ZINC000865484563 621932537 /nfs/dbraw/zinc/93/25/37/621932537.db2.gz YMKQYMGCMSQCIX-UHFFFAOYSA-N 2 2 315.417 3.030 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CCC(C)(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000761311319 622000308 /nfs/dbraw/zinc/00/03/08/622000308.db2.gz PDQYZLRGTCFQGQ-FDYSRKEFSA-N 2 2 316.489 3.323 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CCC(C)(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000761311319 622000311 /nfs/dbraw/zinc/00/03/11/622000311.db2.gz PDQYZLRGTCFQGQ-FDYSRKEFSA-N 2 2 316.489 3.323 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000866230313 622071034 /nfs/dbraw/zinc/07/10/34/622071034.db2.gz ZJAQKDKZGDBFHH-CVEARBPZSA-N 2 2 308.429 3.431 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC000866230096 622071066 /nfs/dbraw/zinc/07/10/66/622071066.db2.gz XBEVVJMVDSZJDH-WDEREUQCSA-N 2 2 304.781 3.417 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3ncccc32)cn1 ZINC000866239871 622073476 /nfs/dbraw/zinc/07/34/76/622073476.db2.gz VEUMCNKWNGUELL-GOSISDBHSA-N 2 2 319.412 3.138 20 0 DGADLP F[C@H]1COc2ccccc2[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000866257057 622077399 /nfs/dbraw/zinc/07/73/99/622077399.db2.gz RHVOQUJDMJFORY-MAUKXSAKSA-N 2 2 315.392 3.335 20 0 DGADLP F[C@H]1COc2ccccc2[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000866257062 622077568 /nfs/dbraw/zinc/07/75/68/622077568.db2.gz RHVOQUJDMJFORY-YJBOKZPZSA-N 2 2 315.392 3.335 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000866395814 622110442 /nfs/dbraw/zinc/11/04/42/622110442.db2.gz GGGWXMQRIZPZAP-QFBILLFUSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000866395814 622110445 /nfs/dbraw/zinc/11/04/45/622110445.db2.gz GGGWXMQRIZPZAP-QFBILLFUSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CC1 ZINC000866541267 622135409 /nfs/dbraw/zinc/13/54/09/622135409.db2.gz XDYYLCQLWCKJTJ-APWZRJJASA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC1CC1 ZINC000866541267 622135411 /nfs/dbraw/zinc/13/54/11/622135411.db2.gz XDYYLCQLWCKJTJ-APWZRJJASA-N 2 2 301.478 3.462 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000866706570 622158514 /nfs/dbraw/zinc/15/85/14/622158514.db2.gz IPEBBZPGKXBWCC-HNNXBMFYSA-N 2 2 315.383 3.297 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000866706570 622158518 /nfs/dbraw/zinc/15/85/18/622158518.db2.gz IPEBBZPGKXBWCC-HNNXBMFYSA-N 2 2 315.383 3.297 20 0 DGADLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121622173 622167141 /nfs/dbraw/zinc/16/71/41/622167141.db2.gz JNOLCGNQZVTZLE-LPHOPBHVSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121622173 622167142 /nfs/dbraw/zinc/16/71/42/622167142.db2.gz JNOLCGNQZVTZLE-LPHOPBHVSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000121694309 622174096 /nfs/dbraw/zinc/17/40/96/622174096.db2.gz LGCMEHYEPMYHAD-APWZRJJASA-N 2 2 321.428 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000121694309 622174097 /nfs/dbraw/zinc/17/40/97/622174097.db2.gz LGCMEHYEPMYHAD-APWZRJJASA-N 2 2 321.428 3.287 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000764889953 622230520 /nfs/dbraw/zinc/23/05/20/622230520.db2.gz QXOZWJSAKJIIST-CABCVRRESA-N 2 2 309.417 3.117 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765250408 622253861 /nfs/dbraw/zinc/25/38/61/622253861.db2.gz LZDUVYAVZOXGAW-MSOLQXFVSA-N 2 2 315.461 3.145 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000765454010 622265869 /nfs/dbraw/zinc/26/58/69/622265869.db2.gz WKUNRIXDVOTISU-APWZRJJASA-N 3 2 307.526 3.103 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454010 622265871 /nfs/dbraw/zinc/26/58/71/622265871.db2.gz WKUNRIXDVOTISU-APWZRJJASA-N 3 2 307.526 3.103 20 0 DGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000765452673 622265984 /nfs/dbraw/zinc/26/59/84/622265984.db2.gz ICVLNLRSUKUYPG-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000765454011 622266096 /nfs/dbraw/zinc/26/60/96/622266096.db2.gz WKUNRIXDVOTISU-LPHOPBHVSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454011 622266101 /nfs/dbraw/zinc/26/61/01/622266101.db2.gz WKUNRIXDVOTISU-LPHOPBHVSA-N 3 2 307.526 3.103 20 0 DGADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000806144644 622379912 /nfs/dbraw/zinc/37/99/12/622379912.db2.gz SNVMSQXZMWIWGL-CYBMUJFWSA-N 2 2 302.809 3.209 20 0 DGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102287 622438292 /nfs/dbraw/zinc/43/82/92/622438292.db2.gz MQOFDFXGYCAHCS-CRAIPNDOSA-N 2 2 302.462 3.394 20 0 DGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102287 622438294 /nfs/dbraw/zinc/43/82/94/622438294.db2.gz MQOFDFXGYCAHCS-CRAIPNDOSA-N 2 2 302.462 3.394 20 0 DGADLP CC(C)C[C@@H](CN(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123105192 622463779 /nfs/dbraw/zinc/46/37/79/622463779.db2.gz LCUNBGUELPZIQK-FQEVSTJZSA-N 2 2 317.521 3.217 20 0 DGADLP C[C@@H](CC(=O)OC[C@@H]1CC[N@@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731938 622504131 /nfs/dbraw/zinc/50/41/31/622504131.db2.gz CVSUUNWSLUTASE-RDJZCZTQSA-N 2 2 319.449 3.175 20 0 DGADLP C[C@@H](CC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731938 622504135 /nfs/dbraw/zinc/50/41/35/622504135.db2.gz CVSUUNWSLUTASE-RDJZCZTQSA-N 2 2 319.449 3.175 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769968097 622583398 /nfs/dbraw/zinc/58/33/98/622583398.db2.gz LYKJACXHHXEMRK-UKRRQHHQSA-N 2 2 324.490 3.051 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087366 622798416 /nfs/dbraw/zinc/79/84/16/622798416.db2.gz IPJXMRRTDGNGRX-DZGCQCFKSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087366 622798420 /nfs/dbraw/zinc/79/84/20/622798420.db2.gz IPJXMRRTDGNGRX-DZGCQCFKSA-N 2 2 306.425 3.304 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150505 622833255 /nfs/dbraw/zinc/83/32/55/622833255.db2.gz FJKPKJHQASZRFA-NEPJUHHUSA-N 2 2 308.294 3.193 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150505 622833259 /nfs/dbraw/zinc/83/32/59/622833259.db2.gz FJKPKJHQASZRFA-NEPJUHHUSA-N 2 2 308.294 3.193 20 0 DGADLP c1cc(NCc2cc[nH+]c(N3CCCCC3)c2)c(C2CC2)c[nH+]1 ZINC000872415740 622910050 /nfs/dbraw/zinc/91/00/50/622910050.db2.gz QCDHEHWMYYNKQQ-UHFFFAOYSA-N 2 2 308.429 3.378 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(C)(C)C ZINC000772952564 622956299 /nfs/dbraw/zinc/95/62/99/622956299.db2.gz IUCCZAZVHIDOMI-DOTOQJQBSA-N 2 2 321.534 3.413 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(C)(C)C ZINC000772952564 622956304 /nfs/dbraw/zinc/95/63/04/622956304.db2.gz IUCCZAZVHIDOMI-DOTOQJQBSA-N 2 2 321.534 3.413 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CC3(C)C)CC2)cc1 ZINC000772974783 622959389 /nfs/dbraw/zinc/95/93/89/622959389.db2.gz FLICTAZVJSTWAX-OAHLLOKOSA-N 2 2 301.478 3.357 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089472 622981847 /nfs/dbraw/zinc/98/18/47/622981847.db2.gz QYTBUWJNXHZXMD-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089472 622981850 /nfs/dbraw/zinc/98/18/50/622981850.db2.gz QYTBUWJNXHZXMD-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP Cc1cncc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000773113954 622985545 /nfs/dbraw/zinc/98/55/45/622985545.db2.gz BQEGZFUWOMPKAB-UHFFFAOYSA-N 2 2 324.472 3.215 20 0 DGADLP Fc1ccc2c(c1F)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873210144 623075600 /nfs/dbraw/zinc/07/56/00/623075600.db2.gz ZUOAGIFLKNYWGK-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP Fc1ccc2c(c1F)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000873210144 623075605 /nfs/dbraw/zinc/07/56/05/623075605.db2.gz ZUOAGIFLKNYWGK-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1C(F)(F)F ZINC000873227082 623081114 /nfs/dbraw/zinc/08/11/14/623081114.db2.gz GOSAYHDIEOEGKY-GWCFXTLKSA-N 2 2 316.298 3.141 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1C(F)(F)F ZINC000873227082 623081117 /nfs/dbraw/zinc/08/11/17/623081117.db2.gz GOSAYHDIEOEGKY-GWCFXTLKSA-N 2 2 316.298 3.141 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1C(F)(F)F ZINC000873227084 623081224 /nfs/dbraw/zinc/08/12/24/623081224.db2.gz GOSAYHDIEOEGKY-MFKMUULPSA-N 2 2 316.298 3.141 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1C(F)(F)F ZINC000873227084 623081227 /nfs/dbraw/zinc/08/12/27/623081227.db2.gz GOSAYHDIEOEGKY-MFKMUULPSA-N 2 2 316.298 3.141 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000873223855 623081705 /nfs/dbraw/zinc/08/17/05/623081705.db2.gz TWKWWHDVBSMGLL-IBGZPJMESA-N 2 2 312.461 3.069 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000873223855 623081712 /nfs/dbraw/zinc/08/17/12/623081712.db2.gz TWKWWHDVBSMGLL-IBGZPJMESA-N 2 2 312.461 3.069 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1c[nH+]ccc1N ZINC000873282316 623102762 /nfs/dbraw/zinc/10/27/62/623102762.db2.gz UAWOUVAREKLTKM-QMMMGPOBSA-N 2 2 301.337 3.425 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)ccc1F ZINC000774411557 623141225 /nfs/dbraw/zinc/14/12/25/623141225.db2.gz QAZPHKAIWAPLCF-JENIJYKNSA-N 2 2 318.436 3.038 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)ccc1F ZINC000774411557 623141229 /nfs/dbraw/zinc/14/12/29/623141229.db2.gz QAZPHKAIWAPLCF-JENIJYKNSA-N 2 2 318.436 3.038 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438706 623144939 /nfs/dbraw/zinc/14/49/39/623144939.db2.gz GRKRSRCMIHLKEG-GUYCJALGSA-N 2 2 317.433 3.304 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438706 623144944 /nfs/dbraw/zinc/14/49/44/623144944.db2.gz GRKRSRCMIHLKEG-GUYCJALGSA-N 2 2 317.433 3.304 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)[nH+]c1 ZINC000775379063 623261968 /nfs/dbraw/zinc/26/19/68/623261968.db2.gz DIOVNKZKXXSDAI-FMKPAKJESA-N 2 2 323.531 3.243 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439774 623274866 /nfs/dbraw/zinc/27/48/66/623274866.db2.gz WTXDDESZZJIQLU-APWZRJJASA-N 2 2 302.462 3.086 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439774 623274867 /nfs/dbraw/zinc/27/48/67/623274867.db2.gz WTXDDESZZJIQLU-APWZRJJASA-N 2 2 302.462 3.086 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439781 623275275 /nfs/dbraw/zinc/27/52/75/623275275.db2.gz WTXDDESZZJIQLU-QFBILLFUSA-N 2 2 302.462 3.086 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439781 623275283 /nfs/dbraw/zinc/27/52/83/623275283.db2.gz WTXDDESZZJIQLU-QFBILLFUSA-N 2 2 302.462 3.086 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000776164248 623387105 /nfs/dbraw/zinc/38/71/05/623387105.db2.gz YKUJLRIGPGQVPP-OKDNKWQNSA-N 2 2 311.429 3.336 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000776263453 623403378 /nfs/dbraw/zinc/40/33/78/623403378.db2.gz CHQXSYKTLCPIAE-OAHLLOKOSA-N 2 2 307.869 3.432 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCOC(C)(C)C)CC2)cc1 ZINC000776889548 623474234 /nfs/dbraw/zinc/47/42/34/623474234.db2.gz KFYUEYZCLPUYIN-UHFFFAOYSA-N 2 2 319.493 3.126 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]CCC3CCOCC3)cc2)CC1 ZINC000876820684 623718140 /nfs/dbraw/zinc/71/81/40/623718140.db2.gz QLWCBDCZDHATBX-UHFFFAOYSA-N 2 2 317.477 3.057 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCO2 ZINC000779065246 623726501 /nfs/dbraw/zinc/72/65/01/623726501.db2.gz MCDXRRWGWVRTRQ-DLBZAZTESA-N 2 2 311.429 3.264 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000876931674 623747735 /nfs/dbraw/zinc/74/77/35/623747735.db2.gz RKMYGLHXPCMZKM-MDOVXXIYSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000876931674 623747739 /nfs/dbraw/zinc/74/77/39/623747739.db2.gz RKMYGLHXPCMZKM-MDOVXXIYSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000876956794 623753515 /nfs/dbraw/zinc/75/35/15/623753515.db2.gz NWGMVVZEJDFQPA-SXGZJXTBSA-N 2 2 304.415 3.173 20 0 DGADLP COc1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)sn1 ZINC000876993812 623761945 /nfs/dbraw/zinc/76/19/45/623761945.db2.gz RIZBYJSBZMBIQS-UHFFFAOYSA-N 2 2 323.506 3.286 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000877067236 623782299 /nfs/dbraw/zinc/78/22/99/623782299.db2.gz ZTUMSGHINPOLIN-ZIAGYGMSSA-N 2 2 324.255 3.487 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530659 623927267 /nfs/dbraw/zinc/92/72/67/623927267.db2.gz FBXHWBDHIFDUBW-GUYCJALGSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530659 623927272 /nfs/dbraw/zinc/92/72/72/623927272.db2.gz FBXHWBDHIFDUBW-GUYCJALGSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530659 623927277 /nfs/dbraw/zinc/92/72/77/623927277.db2.gz FBXHWBDHIFDUBW-GUYCJALGSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530659 623927284 /nfs/dbraw/zinc/92/72/84/623927284.db2.gz FBXHWBDHIFDUBW-GUYCJALGSA-N 2 2 301.409 3.146 20 0 DGADLP Clc1ccc2sc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2n1 ZINC000877539238 623932263 /nfs/dbraw/zinc/93/22/63/623932263.db2.gz LEKXFRCGDMAKRL-SECBINFHSA-N 2 2 318.833 3.320 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744898 624016678 /nfs/dbraw/zinc/01/66/78/624016678.db2.gz YTNITSZGQHOJHB-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744898 624016680 /nfs/dbraw/zinc/01/66/80/624016680.db2.gz YTNITSZGQHOJHB-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744898 624016681 /nfs/dbraw/zinc/01/66/81/624016681.db2.gz YTNITSZGQHOJHB-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CC[C@H]21 ZINC000877744898 624016684 /nfs/dbraw/zinc/01/66/84/624016684.db2.gz YTNITSZGQHOJHB-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000877812769 624044565 /nfs/dbraw/zinc/04/45/65/624044565.db2.gz SIXABVXAJBIMRK-CQSZACIVSA-N 2 2 310.323 3.042 20 0 DGADLP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000877812769 624044572 /nfs/dbraw/zinc/04/45/72/624044572.db2.gz SIXABVXAJBIMRK-CQSZACIVSA-N 2 2 310.323 3.042 20 0 DGADLP CCc1csc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000782349936 624242746 /nfs/dbraw/zinc/24/27/46/624242746.db2.gz BXMDYZSMSBLTDZ-UHFFFAOYSA-N 2 2 322.522 3.068 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000783244990 624330032 /nfs/dbraw/zinc/33/00/32/624330032.db2.gz JREGIRBQMSODHG-XYJFISCASA-N 2 2 302.462 3.275 20 0 DGADLP Cc1ccc(N(C)[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000784372102 624512934 /nfs/dbraw/zinc/51/29/34/624512934.db2.gz KCRGSVLVUXHOOJ-LJQANCHMSA-N 2 2 312.461 3.182 20 0 DGADLP Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000784372102 624512942 /nfs/dbraw/zinc/51/29/42/624512942.db2.gz KCRGSVLVUXHOOJ-LJQANCHMSA-N 2 2 312.461 3.182 20 0 DGADLP Cc1ccc(N(C)[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000784372100 624513093 /nfs/dbraw/zinc/51/30/93/624513093.db2.gz KCRGSVLVUXHOOJ-IBGZPJMESA-N 2 2 312.461 3.182 20 0 DGADLP Cc1ccc(N(C)[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000784372100 624513101 /nfs/dbraw/zinc/51/31/01/624513101.db2.gz KCRGSVLVUXHOOJ-IBGZPJMESA-N 2 2 312.461 3.182 20 0 DGADLP Clc1cccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128134979 624755133 /nfs/dbraw/zinc/75/51/33/624755133.db2.gz VSMGIYPUSHJFOS-UHFFFAOYSA-N 2 2 308.853 3.183 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142729 624806739 /nfs/dbraw/zinc/80/67/39/624806739.db2.gz TXINDTFTTKXHEB-QZTJIDSGSA-N 2 2 317.864 3.463 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142729 624806741 /nfs/dbraw/zinc/80/67/41/624806741.db2.gz TXINDTFTTKXHEB-QZTJIDSGSA-N 2 2 317.864 3.463 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142729 624806744 /nfs/dbraw/zinc/80/67/44/624806744.db2.gz TXINDTFTTKXHEB-QZTJIDSGSA-N 2 2 317.864 3.463 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207018 624842803 /nfs/dbraw/zinc/84/28/03/624842803.db2.gz PJTITWBQJHXDGL-SXLOBPIMSA-N 2 2 314.473 3.023 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207018 624842807 /nfs/dbraw/zinc/84/28/07/624842807.db2.gz PJTITWBQJHXDGL-SXLOBPIMSA-N 2 2 314.473 3.023 20 0 DGADLP c1cn(CCC[N@@H+]2CCCSC[C@H]2c2ccccc2)c[nH+]1 ZINC000880387375 624947979 /nfs/dbraw/zinc/94/79/79/624947979.db2.gz IIGRZMFQPBPXMR-KRWDZBQOSA-N 2 2 301.459 3.453 20 0 DGADLP c1cn(CCC[N@H+]2CCCSC[C@H]2c2ccccc2)c[nH+]1 ZINC000880387375 624947982 /nfs/dbraw/zinc/94/79/82/624947982.db2.gz IIGRZMFQPBPXMR-KRWDZBQOSA-N 2 2 301.459 3.453 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000880472460 624963761 /nfs/dbraw/zinc/96/37/61/624963761.db2.gz PMCSMVWHYBNADQ-UHFFFAOYSA-N 2 2 313.420 3.434 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000880474362 624964380 /nfs/dbraw/zinc/96/43/80/624964380.db2.gz HDCFFTRWSZKIBM-UHFFFAOYSA-N 2 2 300.446 3.210 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000880473821 624964639 /nfs/dbraw/zinc/96/46/39/624964639.db2.gz ALPYDIDMMATCGC-UHFFFAOYSA-N 2 2 300.446 3.288 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880505651 624968350 /nfs/dbraw/zinc/96/83/50/624968350.db2.gz MXNVDMRTUBQOBH-MOPGFXCFSA-N 2 2 311.429 3.372 20 0 DGADLP CC1(C)CC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)OC1 ZINC000880569338 624979005 /nfs/dbraw/zinc/97/90/05/624979005.db2.gz CJDACVMCIPXHAX-MSOLQXFVSA-N 2 2 313.445 3.419 20 0 DGADLP ClC1(Cl)C[C@@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568281 624979141 /nfs/dbraw/zinc/97/91/41/624979141.db2.gz WAIDFPGKFICDBR-KGLIPLIRSA-N 2 2 310.228 3.408 20 0 DGADLP Cc1cnc(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC000880568833 624979363 /nfs/dbraw/zinc/97/93/63/624979363.db2.gz DUQQYJCRAXBXNC-HXUWFJFHSA-N 2 2 320.440 3.469 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000791137653 625754982 /nfs/dbraw/zinc/75/49/82/625754982.db2.gz SMROXZSOHQQFMU-JQHSSLGASA-N 3 2 312.461 3.396 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+](C)CCCn3cc[nH+]c3)c2)cc1 ZINC000130594287 625877214 /nfs/dbraw/zinc/87/72/14/625877214.db2.gz PSENZTZQUMZHHJ-UHFFFAOYSA-N 2 2 309.417 3.035 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+](C)CCCn3cc[nH+]c3)c2)cc1 ZINC000130594287 625877218 /nfs/dbraw/zinc/87/72/18/625877218.db2.gz PSENZTZQUMZHHJ-UHFFFAOYSA-N 2 2 309.417 3.035 20 0 DGADLP Cc1cc(NCc2ncc(C[NH+](C)C)s2)ccc1[NH+](C)C ZINC000796332851 626039138 /nfs/dbraw/zinc/03/91/38/626039138.db2.gz VDDYPEDAVHSYKA-UHFFFAOYSA-N 2 2 304.463 3.191 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)c1OC ZINC000796780157 626081896 /nfs/dbraw/zinc/08/18/96/626081896.db2.gz HZLGHGLYGXRJNQ-HUUCEWRRSA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)c1OC ZINC000796780157 626081900 /nfs/dbraw/zinc/08/19/00/626081900.db2.gz HZLGHGLYGXRJNQ-HUUCEWRRSA-N 2 2 320.477 3.017 20 0 DGADLP Clc1cnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000799112450 626273135 /nfs/dbraw/zinc/27/31/35/626273135.db2.gz UYGFQMWXXTXQHD-UHFFFAOYSA-N 2 2 322.884 3.218 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000799718499 626323873 /nfs/dbraw/zinc/32/38/73/626323873.db2.gz CXEMTICRAOQNEI-YJBOKZPZSA-N 2 2 308.441 3.367 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000799718499 626323874 /nfs/dbraw/zinc/32/38/74/626323874.db2.gz CXEMTICRAOQNEI-YJBOKZPZSA-N 2 2 308.441 3.367 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CSC3(C)C)CC2)cc1 ZINC000802315812 626558747 /nfs/dbraw/zinc/55/87/47/626558747.db2.gz GBFNXYGUNSVYCV-QGZVFWFLSA-N 2 2 319.518 3.205 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000883261320 626627806 /nfs/dbraw/zinc/62/78/06/626627806.db2.gz YJSIOKLXZZLZRG-SZVBFZGTSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CC1(C)C ZINC000883261320 626627808 /nfs/dbraw/zinc/62/78/08/626627808.db2.gz YJSIOKLXZZLZRG-SZVBFZGTSA-N 2 2 301.478 3.318 20 0 DGADLP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+]C1CCSCC1 ZINC000883345588 626655554 /nfs/dbraw/zinc/65/55/54/626655554.db2.gz GLLXKBQMXXDSMI-SFHVURJKSA-N 2 2 317.502 3.279 20 0 DGADLP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+]C1CCSCC1 ZINC000883345588 626655556 /nfs/dbraw/zinc/65/55/56/626655556.db2.gz GLLXKBQMXXDSMI-SFHVURJKSA-N 2 2 317.502 3.279 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387005 626668740 /nfs/dbraw/zinc/66/87/40/626668740.db2.gz QEHBSEMEKIYPMN-OTWHNJEPSA-N 2 2 313.445 3.418 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)c2ccccc2)c[nH+]1 ZINC000883388469 626669242 /nfs/dbraw/zinc/66/92/42/626669242.db2.gz VXQZTESMMCCVDU-QZTJIDSGSA-N 2 2 311.429 3.316 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000883388017 626669701 /nfs/dbraw/zinc/66/97/01/626669701.db2.gz KJFFGIWPDKBCNJ-HYVNUMGLSA-N 2 2 301.459 3.498 20 0 DGADLP c1cn(C[C@H]([NH2+][C@@H]2CCCSCC2)c2ccccc2)c[nH+]1 ZINC000883388035 626669771 /nfs/dbraw/zinc/66/97/71/626669771.db2.gz KSJLKCTZSAVBGI-SJORKVTESA-N 2 2 301.459 3.500 20 0 DGADLP COc1cncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000883397176 626672434 /nfs/dbraw/zinc/67/24/34/626672434.db2.gz GSDMCIATQKANAK-GOSISDBHSA-N 2 2 322.412 3.126 20 0 DGADLP Clc1cccc2c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c12 ZINC000804397035 626676057 /nfs/dbraw/zinc/67/60/57/626676057.db2.gz RYOCCKFDXPRXEI-CHWSQXEVSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1cccc2c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c12 ZINC000804397035 626676060 /nfs/dbraw/zinc/67/60/60/626676060.db2.gz RYOCCKFDXPRXEI-CHWSQXEVSA-N 2 2 317.820 3.163 20 0 DGADLP CC(C)C(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000808756456 626858828 /nfs/dbraw/zinc/85/88/28/626858828.db2.gz MPZNLTOIIRHCII-HNNXBMFYSA-N 2 2 303.450 3.014 20 0 DGADLP CC(C)C(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000808756456 626858831 /nfs/dbraw/zinc/85/88/31/626858831.db2.gz MPZNLTOIIRHCII-HNNXBMFYSA-N 2 2 303.450 3.014 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccccc1N1CCCCC1)C2 ZINC000810171329 626984565 /nfs/dbraw/zinc/98/45/65/626984565.db2.gz HWAQVFUMCATKPN-INIZCTEOSA-N 2 2 310.445 3.047 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)C2 ZINC000810253532 626993424 /nfs/dbraw/zinc/99/34/24/626993424.db2.gz WEIOGMMMSZWKAE-LPHOPBHVSA-N 2 2 311.429 3.025 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000885919035 627060207 /nfs/dbraw/zinc/06/02/07/627060207.db2.gz HZXBBNPPZSVSLR-OALUTQOASA-N 2 2 313.445 3.369 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000885956765 627069736 /nfs/dbraw/zinc/06/97/36/627069736.db2.gz YHJRMYMEDABGRW-HNNXBMFYSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000885956765 627069738 /nfs/dbraw/zinc/06/97/38/627069738.db2.gz YHJRMYMEDABGRW-HNNXBMFYSA-N 2 2 318.490 3.090 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(F)c1OC ZINC000885969333 627072738 /nfs/dbraw/zinc/07/27/38/627072738.db2.gz ORCYAEQBOWAIJV-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1OC ZINC000885969333 627072743 /nfs/dbraw/zinc/07/27/43/627072743.db2.gz ORCYAEQBOWAIJV-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP Cc1n[nH]c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C ZINC000885990311 627077316 /nfs/dbraw/zinc/07/73/16/627077316.db2.gz DCLBDLSBCMWIBT-INIZCTEOSA-N 2 2 312.461 3.342 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000886091983 627101623 /nfs/dbraw/zinc/10/16/23/627101623.db2.gz LMJLTYGWQUMGGH-AEFFLSMTSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000886091983 627101624 /nfs/dbraw/zinc/10/16/24/627101624.db2.gz LMJLTYGWQUMGGH-AEFFLSMTSA-N 2 2 306.494 3.475 20 0 DGADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000886280562 627130257 /nfs/dbraw/zinc/13/02/57/627130257.db2.gz GYKNPZVZGZEFSG-PAPYEOQZSA-N 2 2 304.400 3.285 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCC4(CCC4)CO3)c2)c[nH+]1 ZINC000886318116 627136186 /nfs/dbraw/zinc/13/61/86/627136186.db2.gz JXFUJOQIJGHQBB-OAHLLOKOSA-N 2 2 317.458 3.373 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000886625504 627175773 /nfs/dbraw/zinc/17/57/73/627175773.db2.gz SSTHBLPUHGRILP-SXLOBPIMSA-N 2 2 324.472 3.046 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886625504 627175776 /nfs/dbraw/zinc/17/57/76/627175776.db2.gz SSTHBLPUHGRILP-SXLOBPIMSA-N 2 2 324.472 3.046 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641253 627178543 /nfs/dbraw/zinc/17/85/43/627178543.db2.gz DOFLLAMNICQQPK-ROUUACIJSA-N 2 2 304.482 3.114 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641253 627178545 /nfs/dbraw/zinc/17/85/45/627178545.db2.gz DOFLLAMNICQQPK-ROUUACIJSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(Cl)nc3)CC2)[nH+]c1C ZINC000886661324 627182770 /nfs/dbraw/zinc/18/27/70/627182770.db2.gz RVLDUQOINFVLGP-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3ccncc3Cl)CC2)[nH+]c1C ZINC000886662679 627183779 /nfs/dbraw/zinc/18/37/79/627183779.db2.gz JRWIZOIPBWRREW-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP Cc1[nH]c(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)[nH+]c1C ZINC000886667560 627184674 /nfs/dbraw/zinc/18/46/74/627184674.db2.gz CQPBSEYDQRFDPG-QGZVFWFLSA-N 3 2 304.482 3.080 20 0 DGADLP Cc1[nH]c(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)[nH+]c1C ZINC000886667560 627184675 /nfs/dbraw/zinc/18/46/75/627184675.db2.gz CQPBSEYDQRFDPG-QGZVFWFLSA-N 3 2 304.482 3.080 20 0 DGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134105 627227786 /nfs/dbraw/zinc/22/77/86/627227786.db2.gz CBKBJETWVVMJSP-HUUCEWRRSA-N 2 2 322.412 3.495 20 0 DGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134105 627227788 /nfs/dbraw/zinc/22/77/88/627227788.db2.gz CBKBJETWVVMJSP-HUUCEWRRSA-N 2 2 322.412 3.495 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000925497261 627556520 /nfs/dbraw/zinc/55/65/20/627556520.db2.gz YGPDLYRPLCORDQ-JCURWCKSSA-N 2 2 304.821 3.052 20 0 DGADLP Cc1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)c1 ZINC000924532099 627645740 /nfs/dbraw/zinc/64/57/40/627645740.db2.gz ANHBGLQVGRREBB-LJQANCHMSA-N 2 2 306.413 3.356 20 0 DGADLP C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000924549316 627647901 /nfs/dbraw/zinc/64/79/01/627647901.db2.gz HZYPDHKGKYHIBP-HHXKTQCLSA-N 2 2 311.429 3.481 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nonc1C ZINC000924583780 627652603 /nfs/dbraw/zinc/65/26/03/627652603.db2.gz CTZRYEOLJYXOCW-CYBMUJFWSA-N 2 2 302.422 3.071 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(OC)n1 ZINC000924629619 627659949 /nfs/dbraw/zinc/65/99/49/627659949.db2.gz VQUAHEWAHSEQFR-MRXNPFEDSA-N 2 2 305.466 3.251 20 0 DGADLP CCC(CC)[C@H](CN[C@@H](C)c1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000924631172 627660193 /nfs/dbraw/zinc/66/01/93/627660193.db2.gz FOGLXXUWDJRINU-YOEHRIQHSA-N 2 2 306.498 3.236 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924675765 627665729 /nfs/dbraw/zinc/66/57/29/627665729.db2.gz UZJWLXVTNMKGTQ-ZIFCJYIRSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924675765 627665733 /nfs/dbraw/zinc/66/57/33/627665733.db2.gz UZJWLXVTNMKGTQ-ZIFCJYIRSA-N 2 2 301.478 3.257 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924696872 627669499 /nfs/dbraw/zinc/66/94/99/627669499.db2.gz QOBRYDKWVPODRH-ZENOOKHLSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924696872 627669501 /nfs/dbraw/zinc/66/95/01/627669501.db2.gz QOBRYDKWVPODRH-ZENOOKHLSA-N 2 2 305.853 3.329 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000924729224 627674450 /nfs/dbraw/zinc/67/44/50/627674450.db2.gz KEHKZVPEDUWUFS-HZMVEIRTSA-N 2 2 305.466 3.093 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000924729282 627674478 /nfs/dbraw/zinc/67/44/78/627674478.db2.gz HPQOBEGOASDKPI-VQTJNVASSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c2)c1 ZINC000924729282 627674481 /nfs/dbraw/zinc/67/44/81/627674481.db2.gz HPQOBEGOASDKPI-VQTJNVASSA-N 2 2 324.472 3.038 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H](CC)c2cccc(OC)n2)CC1 ZINC000924847811 627686362 /nfs/dbraw/zinc/68/63/62/627686362.db2.gz VQBZPVUOJDWCRZ-MRXNPFEDSA-N 2 2 305.466 3.395 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2CCOC23CCCCC3)[nH+]c1 ZINC000924925008 627694249 /nfs/dbraw/zinc/69/42/49/627694249.db2.gz FANLPWYJKWAMTP-INIZCTEOSA-N 2 2 303.450 3.355 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H]2CCOC2)cc1 ZINC000925297559 627728466 /nfs/dbraw/zinc/72/84/66/627728466.db2.gz GYYQYTFDTWIQMX-YRPNKDGESA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H]2CCOC2)cc1 ZINC000925297559 627728467 /nfs/dbraw/zinc/72/84/67/627728467.db2.gz GYYQYTFDTWIQMX-YRPNKDGESA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925292150 627728487 /nfs/dbraw/zinc/72/84/87/627728487.db2.gz IRZFXOONELCKJR-UGUYLWEFSA-N 2 2 308.491 3.167 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925292150 627728488 /nfs/dbraw/zinc/72/84/88/627728488.db2.gz IRZFXOONELCKJR-UGUYLWEFSA-N 2 2 308.491 3.167 20 0 DGADLP COc1ccc(O[C@H](C)C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000925524757 627747026 /nfs/dbraw/zinc/74/70/26/627747026.db2.gz ZCMJLIHHQTZEKH-ZRGWGRIASA-N 2 2 314.429 3.141 20 0 DGADLP COc1ccc(O[C@H](C)C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000925524754 627747044 /nfs/dbraw/zinc/74/70/44/627747044.db2.gz ZCMJLIHHQTZEKH-CLCXKQKWSA-N 2 2 314.429 3.141 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925524791 627747254 /nfs/dbraw/zinc/74/72/54/627747254.db2.gz ZLNUBEBNNZYNFD-ZRGWGRIASA-N 2 2 314.429 3.141 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)nc2c1 ZINC000925527566 627747769 /nfs/dbraw/zinc/74/77/69/627747769.db2.gz OKXOLBNYBSJKOR-HOTGVXAUSA-N 2 2 312.461 3.129 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)[nH]c2c1 ZINC000925527566 627747770 /nfs/dbraw/zinc/74/77/70/627747770.db2.gz OKXOLBNYBSJKOR-HOTGVXAUSA-N 2 2 312.461 3.129 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553011 627753655 /nfs/dbraw/zinc/75/36/55/627753655.db2.gz MISIXDGOSZCKLV-ZIFCJYIRSA-N 3 2 303.494 3.319 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553011 627753657 /nfs/dbraw/zinc/75/36/57/627753657.db2.gz MISIXDGOSZCKLV-ZIFCJYIRSA-N 3 2 303.494 3.319 20 0 DGADLP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000925569753 627756490 /nfs/dbraw/zinc/75/64/90/627756490.db2.gz SWGNAGOEVQQOTB-LSDHHAIUSA-N 3 2 316.424 3.007 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000925632114 627765615 /nfs/dbraw/zinc/76/56/15/627765615.db2.gz ZZOFOBHIVGOAQC-MZPVMMEZSA-N 2 2 322.811 3.191 20 0 DGADLP CC1(C)[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642681 627768460 /nfs/dbraw/zinc/76/84/60/627768460.db2.gz AUNHJEWYHYYOPE-IRWJRLHMSA-N 2 2 304.409 3.016 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000925678542 627775379 /nfs/dbraw/zinc/77/53/79/627775379.db2.gz VPDNMSBJQBNORY-MLGOLLRUSA-N 2 2 323.362 3.321 20 0 DGADLP FC(F)(F)c1ccc(C2([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925702121 627779098 /nfs/dbraw/zinc/77/90/98/627779098.db2.gz LPDFXWGFMRSSBQ-URLAMEQQSA-N 2 2 322.374 3.281 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1 ZINC000925710654 627779988 /nfs/dbraw/zinc/77/99/88/627779988.db2.gz QLVVCYNZEAEIOY-MVJPYGJCSA-N 2 2 310.441 3.237 20 0 DGADLP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925727197 627783179 /nfs/dbraw/zinc/78/31/79/627783179.db2.gz CJFVVJUJLBOLAS-IKGGRYGDSA-N 2 2 320.864 3.434 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925730108 627783733 /nfs/dbraw/zinc/78/37/33/627783733.db2.gz NEGJARIMBAGCML-QANKJYHBSA-N 2 2 318.848 3.094 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1 ZINC000925734059 627784412 /nfs/dbraw/zinc/78/44/12/627784412.db2.gz MIKQGNYXLHALFV-DGCLKSJQSA-N 2 2 306.397 3.350 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)C12CCC2 ZINC000925731879 627784541 /nfs/dbraw/zinc/78/45/41/627784541.db2.gz VMOAJPAYSUTYIF-MNOVXSKESA-N 2 2 319.758 3.113 20 0 DGADLP Cc1ccc([C@@H](C2CCC2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)o1 ZINC000925752084 627787107 /nfs/dbraw/zinc/78/71/07/627787107.db2.gz SNSNWTNWODGSSS-QGZVFWFLSA-N 2 2 317.458 3.403 20 0 DGADLP Cc1ccc([C@@H](C2CCC2)[N@H+]2CCc3sc(C[NH3+])nc3C2)o1 ZINC000925752084 627787109 /nfs/dbraw/zinc/78/71/09/627787109.db2.gz SNSNWTNWODGSSS-QGZVFWFLSA-N 2 2 317.458 3.403 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000925759785 627789871 /nfs/dbraw/zinc/78/98/71/627789871.db2.gz LRRFRARYZZAMNB-IEBWSBKVSA-N 3 2 315.505 3.100 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759785 627789873 /nfs/dbraw/zinc/78/98/73/627789873.db2.gz LRRFRARYZZAMNB-IEBWSBKVSA-N 3 2 315.505 3.100 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CCCC2 ZINC000925770877 627792252 /nfs/dbraw/zinc/79/22/52/627792252.db2.gz XHKSENMUAWYGDA-IAOVAPTHSA-N 2 2 318.461 3.201 20 0 DGADLP COc1ccc(F)cc1CC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925773926 627793031 /nfs/dbraw/zinc/79/30/31/627793031.db2.gz IBYTZHHGJHICKT-SCLBCKFNSA-N 2 2 302.393 3.055 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2sccc21 ZINC000925794910 627796172 /nfs/dbraw/zinc/79/61/72/627796172.db2.gz WFVBIEZNJYAWCN-IIAWOOMASA-N 2 2 320.502 3.435 20 0 DGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925791818 627796530 /nfs/dbraw/zinc/79/65/30/627796530.db2.gz CHEILBXZUYNDNA-SUMWQHHRSA-N 2 2 320.864 3.076 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1 ZINC000925835337 627802419 /nfs/dbraw/zinc/80/24/19/627802419.db2.gz RYZKEYICOCXAKE-ATGSNQNLSA-N 2 2 316.367 3.165 20 0 DGADLP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1nc2c(s1)CCCC2 ZINC000925833035 627802536 /nfs/dbraw/zinc/80/25/36/627802536.db2.gz QAXOVBZIZSXYDV-LSDHHAIUSA-N 2 2 319.518 3.280 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1 ZINC000925835340 627802580 /nfs/dbraw/zinc/80/25/80/627802580.db2.gz RYZKEYICOCXAKE-MXAVVETBSA-N 2 2 316.367 3.165 20 0 DGADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000925839688 627803108 /nfs/dbraw/zinc/80/31/08/627803108.db2.gz CFXVXDQZLYBBNK-KFKAGJAMSA-N 3 2 310.445 3.055 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)[C@@H]1CCCC[NH2+]1 ZINC000925876951 627810565 /nfs/dbraw/zinc/81/05/65/627810565.db2.gz KAXQFCVGWNZPAR-CVEARBPZSA-N 2 2 306.450 3.023 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000926119655 627847584 /nfs/dbraw/zinc/84/75/84/627847584.db2.gz OLLYXTGIUXVVTC-HRCADAONSA-N 2 2 319.497 3.163 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119655 627847585 /nfs/dbraw/zinc/84/75/85/627847585.db2.gz OLLYXTGIUXVVTC-HRCADAONSA-N 2 2 319.497 3.163 20 0 DGADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926164392 627853211 /nfs/dbraw/zinc/85/32/11/627853211.db2.gz LPHDPEWJKVZORP-VXGBXAGGSA-N 2 2 304.463 3.320 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(-c2ccccc2)no1 ZINC000926223818 627864829 /nfs/dbraw/zinc/86/48/29/627864829.db2.gz FMEWMKJUGIFMBW-HIFRSBDPSA-N 2 2 308.385 3.204 20 0 DGADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ncccc1Cl ZINC000926231295 627867252 /nfs/dbraw/zinc/86/72/52/627867252.db2.gz ZFSWPWRAGGZBDM-TZMCWYRMSA-N 2 2 304.825 3.377 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926405848 627890686 /nfs/dbraw/zinc/89/06/86/627890686.db2.gz GHKPXPZPZMJSFF-DSLXNQLJSA-N 2 2 302.462 3.023 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926405848 627890688 /nfs/dbraw/zinc/89/06/88/627890688.db2.gz GHKPXPZPZMJSFF-DSLXNQLJSA-N 2 2 302.462 3.023 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)c1 ZINC000926448587 627897496 /nfs/dbraw/zinc/89/74/96/627897496.db2.gz AAVKEJOILMHRFT-OXQOHEQNSA-N 2 2 318.424 3.350 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(-c2ccccc2)no1 ZINC000926450775 627898123 /nfs/dbraw/zinc/89/81/23/627898123.db2.gz QVOQVIZHISXTIP-TZMCWYRMSA-N 2 2 308.385 3.273 20 0 DGADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580353 627917039 /nfs/dbraw/zinc/91/70/39/627917039.db2.gz PJZBTIHSEAMIOJ-BZSNNMDCSA-N 2 2 301.478 3.489 20 0 DGADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580353 627917041 /nfs/dbraw/zinc/91/70/41/627917041.db2.gz PJZBTIHSEAMIOJ-BZSNNMDCSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000926581993 627917545 /nfs/dbraw/zinc/91/75/45/627917545.db2.gz UTICSMQQSVZPLC-PUECVXPYSA-N 2 2 314.433 3.030 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000926581993 627917547 /nfs/dbraw/zinc/91/75/47/627917547.db2.gz UTICSMQQSVZPLC-PUECVXPYSA-N 2 2 314.433 3.030 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(C2CCC2)c1 ZINC000926676649 627931106 /nfs/dbraw/zinc/93/11/06/627931106.db2.gz VHUYHSJWMOREAV-BMGDILEWSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C2CCC2)c1 ZINC000926676649 627931109 /nfs/dbraw/zinc/93/11/09/627931109.db2.gz VHUYHSJWMOREAV-BMGDILEWSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817906041 627957823 /nfs/dbraw/zinc/95/78/23/627957823.db2.gz SHNFIQDFBHOMAY-HONMWMINSA-N 2 2 317.260 3.147 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926811820 627959633 /nfs/dbraw/zinc/95/96/33/627959633.db2.gz IDHYTYIVGUSJJA-KBUPBQIOSA-N 2 2 302.384 3.490 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926811820 627959635 /nfs/dbraw/zinc/95/96/35/627959635.db2.gz IDHYTYIVGUSJJA-KBUPBQIOSA-N 2 2 302.384 3.490 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000926881397 627969310 /nfs/dbraw/zinc/96/93/10/627969310.db2.gz APXBGSXLEGAWFA-WOJBJXKFSA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000926881397 627969312 /nfs/dbraw/zinc/96/93/12/627969312.db2.gz APXBGSXLEGAWFA-WOJBJXKFSA-N 2 2 309.457 3.384 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000817952887 627973297 /nfs/dbraw/zinc/97/32/97/627973297.db2.gz IPRGVXWBVDFODO-SNVBAGLBSA-N 2 2 318.234 3.022 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000818341002 628015624 /nfs/dbraw/zinc/01/56/24/628015624.db2.gz URGBJLPQVALQML-MORSLUCNSA-N 2 2 311.429 3.026 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)C2CC2)CCCC1)c1ccccc1 ZINC000819066083 628085621 /nfs/dbraw/zinc/08/56/21/628085621.db2.gz TWOUTGQBWKZGTL-QAPCUYQASA-N 2 2 302.462 3.011 20 0 DGADLP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000819207946 628112806 /nfs/dbraw/zinc/11/28/06/628112806.db2.gz NZAZPYAIWSRTHD-HXUWFJFHSA-N 2 2 321.424 3.312 20 0 DGADLP Fc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489611 628567917 /nfs/dbraw/zinc/56/79/17/628567917.db2.gz JMUSJLDQJKZLGQ-IUODEOHRSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489611 628567921 /nfs/dbraw/zinc/56/79/21/628567921.db2.gz JMUSJLDQJKZLGQ-IUODEOHRSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccnc1Cl ZINC000823489611 628567925 /nfs/dbraw/zinc/56/79/25/628567925.db2.gz JMUSJLDQJKZLGQ-IUODEOHRSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489611 628567930 /nfs/dbraw/zinc/56/79/30/628567930.db2.gz JMUSJLDQJKZLGQ-IUODEOHRSA-N 2 2 323.843 3.323 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477189 628664106 /nfs/dbraw/zinc/66/41/06/628664106.db2.gz IUNPXSOBKLNXFI-KBPBESRZSA-N 2 2 319.836 3.430 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C3(C[NH3+])CCCC3)c2)[nH+]c1C ZINC000827599111 628975160 /nfs/dbraw/zinc/97/51/60/628975160.db2.gz FJGKRUXFWNNHLH-UHFFFAOYSA-N 2 2 312.417 3.151 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c2)[nH+]c1C ZINC000827600748 628976004 /nfs/dbraw/zinc/97/60/04/628976004.db2.gz QBXSRSVKZHRRAG-BDJLRTHQSA-N 2 2 314.433 3.251 20 0 DGADLP C/C(=C\c1ccccc1)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000102420481 630105029 /nfs/dbraw/zinc/10/50/29/630105029.db2.gz DGFAQODZGWAQGN-VMPFUQBJSA-N 2 2 302.462 3.179 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CS1 ZINC000840855228 630367236 /nfs/dbraw/zinc/36/72/36/630367236.db2.gz KIRDLHLLHHZQFS-GOEBONIOSA-N 2 2 319.518 3.205 20 0 DGADLP c1cn(-c2cccc(-c3noc([C@@H]4CC[C@H](C5CC5)[NH2+]4)n3)c2)c[nH+]1 ZINC000844910207 630977066 /nfs/dbraw/zinc/97/70/66/630977066.db2.gz MNFOFGNQTMILRI-CVEARBPZSA-N 2 2 321.384 3.125 20 0 DGADLP C[C@@]1(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@]1(F)Cl ZINC000846037133 631207364 /nfs/dbraw/zinc/20/73/64/631207364.db2.gz YWNRHKIUOBFGKQ-HZPDHXFCSA-N 2 2 311.832 3.345 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000848575441 631701256 /nfs/dbraw/zinc/70/12/56/631701256.db2.gz QQLGXSCJTMJIBO-IRXDYDNUSA-N 2 2 318.461 3.119 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000848575441 631701262 /nfs/dbraw/zinc/70/12/62/631701262.db2.gz QQLGXSCJTMJIBO-IRXDYDNUSA-N 2 2 318.461 3.119 20 0 DGADLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849016889 631808177 /nfs/dbraw/zinc/80/81/77/631808177.db2.gz PHNUPGNBSOBBME-CZUORRHYSA-N 2 2 322.884 3.389 20 0 DGADLP CC(C)Cc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+](C)C)cc1 ZINC000849028840 631812498 /nfs/dbraw/zinc/81/24/98/631812498.db2.gz IQEYAFDRKZAICN-GOSISDBHSA-N 2 2 316.493 3.106 20 0 DGADLP COc1cccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000849063895 631823961 /nfs/dbraw/zinc/82/39/61/631823961.db2.gz RVRXHHSVOLZJPL-UHFFFAOYSA-N 2 2 321.384 3.017 20 0 DGADLP CCN(CC)C(=[NH2+])NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000849078179 631828717 /nfs/dbraw/zinc/82/87/17/631828717.db2.gz XCYLQODNZZOELE-GOSISDBHSA-N 2 2 318.509 3.354 20 0 DGADLP CSc1ccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)cc1 ZINC000849112930 631839101 /nfs/dbraw/zinc/83/91/01/631839101.db2.gz JNVPQYLXYRWFQQ-INIZCTEOSA-N 2 2 322.522 3.171 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000850174589 632072257 /nfs/dbraw/zinc/07/22/57/632072257.db2.gz TXBXQKFLTAWTEJ-GJZGRUSLSA-N 2 2 306.425 3.329 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000850174594 632072529 /nfs/dbraw/zinc/07/25/29/632072529.db2.gz TXBXQKFLTAWTEJ-LSDHHAIUSA-N 2 2 306.425 3.329 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)n1C ZINC000850307959 632109843 /nfs/dbraw/zinc/10/98/43/632109843.db2.gz TWLRALFZLJFECZ-UXHICEINSA-N 2 2 321.424 3.293 20 0 DGADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000850426594 632149239 /nfs/dbraw/zinc/14/92/39/632149239.db2.gz WSFJNYVCFUIJOP-GJZGRUSLSA-N 2 2 323.481 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562157 632194903 /nfs/dbraw/zinc/19/49/03/632194903.db2.gz RCXTZONSXOTUHQ-AEFFLSMTSA-N 2 2 324.472 3.363 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562157 632194908 /nfs/dbraw/zinc/19/49/08/632194908.db2.gz RCXTZONSXOTUHQ-AEFFLSMTSA-N 2 2 324.472 3.363 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](OC)C1 ZINC000851791868 632494868 /nfs/dbraw/zinc/49/48/68/632494868.db2.gz FNKRMNQJKIFDTD-ROUUACIJSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](OC)C1 ZINC000851791868 632494870 /nfs/dbraw/zinc/49/48/70/632494870.db2.gz FNKRMNQJKIFDTD-ROUUACIJSA-N 2 2 317.477 3.187 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000851901635 632518472 /nfs/dbraw/zinc/51/84/72/632518472.db2.gz DCFIAUFIPYYAGK-QWHCGFSZSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000851901635 632518477 /nfs/dbraw/zinc/51/84/77/632518477.db2.gz DCFIAUFIPYYAGK-QWHCGFSZSA-N 2 2 318.383 3.057 20 0 DGADLP CCc1ccc(NC(=[NH2+])NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000083052753 660249804 /nfs/dbraw/zinc/24/98/04/660249804.db2.gz DJFRAZYDHQVAIU-UHFFFAOYSA-N 2 2 321.428 3.174 20 0 DGADLP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]CC(C)C)C(C)(C)C2)c(C)[nH+]1 ZINC000996067455 660275049 /nfs/dbraw/zinc/27/50/49/660275049.db2.gz YPUZMFOCUJFKSM-INIZCTEOSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000792923710 660994118 /nfs/dbraw/zinc/99/41/18/660994118.db2.gz SBYTVWXKLTUSNG-KRWDZBQOSA-N 2 2 300.450 3.224 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335714 661141197 /nfs/dbraw/zinc/14/11/97/661141197.db2.gz HLEIRZTXOMUGMF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335714 661141198 /nfs/dbraw/zinc/14/11/98/661141198.db2.gz HLEIRZTXOMUGMF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335714 661141200 /nfs/dbraw/zinc/14/12/00/661141200.db2.gz HLEIRZTXOMUGMF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(Cl)nc4ccccc34)C2)C1 ZINC000795335714 661141201 /nfs/dbraw/zinc/14/12/01/661141201.db2.gz HLEIRZTXOMUGMF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000069627072 655860958 /nfs/dbraw/zinc/86/09/58/655860958.db2.gz HQZRTIHLXHRQBR-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000069627072 655860959 /nfs/dbraw/zinc/86/09/59/655860959.db2.gz HQZRTIHLXHRQBR-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000236600241 655995352 /nfs/dbraw/zinc/99/53/52/655995352.db2.gz YZFRASHDQALTDI-GOSISDBHSA-N 2 2 319.493 3.269 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)c2ccccc2)CCC1 ZINC000313566278 656292757 /nfs/dbraw/zinc/29/27/57/656292757.db2.gz MWWRQJYBGLQQGU-FQEVSTJZSA-N 2 2 324.468 3.364 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)c2ccccc2)CCC1 ZINC000313566278 656292759 /nfs/dbraw/zinc/29/27/59/656292759.db2.gz MWWRQJYBGLQQGU-FQEVSTJZSA-N 2 2 324.468 3.364 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261634465 656937410 /nfs/dbraw/zinc/93/74/10/656937410.db2.gz IAJDOJZDPCCJPU-GXTWGEPZSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261634465 656937413 /nfs/dbraw/zinc/93/74/13/656937413.db2.gz IAJDOJZDPCCJPU-GXTWGEPZSA-N 2 2 316.392 3.482 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000090189244 656951347 /nfs/dbraw/zinc/95/13/47/656951347.db2.gz QIOFKNWSZSDQFR-IBGZPJMESA-N 2 2 309.457 3.267 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000090189244 656951352 /nfs/dbraw/zinc/95/13/52/656951352.db2.gz QIOFKNWSZSDQFR-IBGZPJMESA-N 2 2 309.457 3.267 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001045128823 656994763 /nfs/dbraw/zinc/99/47/63/656994763.db2.gz UARLBHFGTWNZLE-KRWDZBQOSA-N 2 2 315.461 3.001 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377034 657443331 /nfs/dbraw/zinc/44/33/31/657443331.db2.gz DSHMQOSLRUMIMM-DOTOQJQBSA-N 2 2 318.509 3.326 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377034 657443333 /nfs/dbraw/zinc/44/33/33/657443333.db2.gz DSHMQOSLRUMIMM-DOTOQJQBSA-N 2 2 318.509 3.326 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251597056 657524475 /nfs/dbraw/zinc/52/44/75/657524475.db2.gz CXJZTEOCBFVYJJ-IUODEOHRSA-N 2 2 303.837 3.447 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251597056 657524478 /nfs/dbraw/zinc/52/44/78/657524478.db2.gz CXJZTEOCBFVYJJ-IUODEOHRSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(CSC(F)F)o1)Cn1cc[nH+]c1 ZINC000067500636 657586551 /nfs/dbraw/zinc/58/65/51/657586551.db2.gz XMBGRGBGPSEQAX-LLVKDONJSA-N 2 2 315.389 3.358 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000067500552 657586618 /nfs/dbraw/zinc/58/66/18/657586618.db2.gz LSIOSCBPRZKNQW-OAHLLOKOSA-N 2 2 317.433 3.106 20 0 DGADLP COCc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)ccc1OC ZINC000321077862 658053592 /nfs/dbraw/zinc/05/35/92/658053592.db2.gz BCVPOROLRDBXOE-HNNXBMFYSA-N 2 2 317.433 3.169 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cnn(-c2ccccc2)c1 ZINC000322397102 658505993 /nfs/dbraw/zinc/50/59/93/658505993.db2.gz SPEGNSDWKANLFJ-INIZCTEOSA-N 2 2 309.417 3.200 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000322397338 658506831 /nfs/dbraw/zinc/50/68/31/658506831.db2.gz SQGLAPVGOWLCPT-INIZCTEOSA-N 2 2 312.461 3.397 20 0 DGADLP C[N@H+](Cc1csc(Br)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862690 659350427 /nfs/dbraw/zinc/35/04/27/659350427.db2.gz FSPCKAOKYOBTIN-CYBMUJFWSA-N 2 2 317.296 3.332 20 0 DGADLP C[N@@H+](Cc1csc(Br)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862690 659350431 /nfs/dbraw/zinc/35/04/31/659350431.db2.gz FSPCKAOKYOBTIN-CYBMUJFWSA-N 2 2 317.296 3.332 20 0 DGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2c(c1)CCCN2 ZINC000324063535 659506565 /nfs/dbraw/zinc/50/65/65/659506565.db2.gz XPBCZIJRUZBIFU-UHFFFAOYSA-N 2 2 313.489 3.495 20 0 DGADLP CC[N@H+](C/C=C(/C)COC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755923 659555522 /nfs/dbraw/zinc/55/55/22/659555522.db2.gz XWVPHMPMSSMUQN-IUXPMGMMSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@@H+](C/C=C(/C)COC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755923 659555523 /nfs/dbraw/zinc/55/55/23/659555523.db2.gz XWVPHMPMSSMUQN-IUXPMGMMSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@H+](C/C=C(\C)COC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755915 659555577 /nfs/dbraw/zinc/55/55/77/659555577.db2.gz XWVPHMPMSSMUQN-CAOOACKPSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@@H+](C/C=C(\C)COC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755915 659555579 /nfs/dbraw/zinc/55/55/79/659555579.db2.gz XWVPHMPMSSMUQN-CAOOACKPSA-N 2 2 317.477 3.213 20 0 DGADLP CC(C)c1nsc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000930144572 661370805 /nfs/dbraw/zinc/37/08/05/661370805.db2.gz FCCOWAGAFYVADA-UHFFFAOYSA-N 2 2 310.511 3.215 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000930171230 661373213 /nfs/dbraw/zinc/37/32/13/661373213.db2.gz NDPJUOPFCKZJLH-ZIAGYGMSSA-N 2 2 320.399 3.047 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCC[C@H](C(F)(F)F)O1)CC2 ZINC000930171230 661373217 /nfs/dbraw/zinc/37/32/17/661373217.db2.gz NDPJUOPFCKZJLH-ZIAGYGMSSA-N 2 2 320.399 3.047 20 0 DGADLP CC(C)(C)[NH2+]CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000931221441 661460301 /nfs/dbraw/zinc/46/03/01/661460301.db2.gz XETUWEQWXHCCKC-UHFFFAOYSA-N 2 2 320.824 3.242 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](CCSc3ccc(F)cc3)C[C@@]2(C)C1 ZINC000931305748 661465868 /nfs/dbraw/zinc/46/58/68/661465868.db2.gz CKNOMQOZHJHTII-IAGOWNOFSA-N 2 2 308.466 3.191 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](CCc3nsc4ccccc43)C[C@@]2(C)C1 ZINC000931316547 661466673 /nfs/dbraw/zinc/46/66/73/661466673.db2.gz JDSKHCLWNNTVGE-QZTJIDSGSA-N 2 2 315.486 3.112 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1C ZINC000931431401 661475700 /nfs/dbraw/zinc/47/57/00/661475700.db2.gz XCKWDKSBVXACKD-MSOLQXFVSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1C ZINC000931431401 661475702 /nfs/dbraw/zinc/47/57/02/661475702.db2.gz XCKWDKSBVXACKD-MSOLQXFVSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC000931431401 661475703 /nfs/dbraw/zinc/47/57/03/661475703.db2.gz XCKWDKSBVXACKD-MSOLQXFVSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC000931431401 661475704 /nfs/dbraw/zinc/47/57/04/661475704.db2.gz XCKWDKSBVXACKD-MSOLQXFVSA-N 2 2 314.473 3.198 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCSc2ccncc2)CC1 ZINC000931466071 661479976 /nfs/dbraw/zinc/47/99/76/661479976.db2.gz TWQLNGCHCUNULG-UHFFFAOYSA-N 2 2 305.491 3.124 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620027 661493536 /nfs/dbraw/zinc/49/35/36/661493536.db2.gz CPRPWOWIUVDKHZ-QBPKDAKJSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620027 661493537 /nfs/dbraw/zinc/49/35/37/661493537.db2.gz CPRPWOWIUVDKHZ-QBPKDAKJSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620027 661493538 /nfs/dbraw/zinc/49/35/38/661493538.db2.gz CPRPWOWIUVDKHZ-QBPKDAKJSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931620027 661493539 /nfs/dbraw/zinc/49/35/39/661493539.db2.gz CPRPWOWIUVDKHZ-QBPKDAKJSA-N 2 2 306.400 3.204 20 0 DGADLP CC(C)O[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)c1ccccc1 ZINC000931719661 661502048 /nfs/dbraw/zinc/50/20/48/661502048.db2.gz YCGVMXLGGVNDCE-QYZOEREBSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@@H](C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)c1ccccc1 ZINC000931719661 661502050 /nfs/dbraw/zinc/50/20/50/661502050.db2.gz YCGVMXLGGVNDCE-QYZOEREBSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@@H](C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)c1ccccc1 ZINC000931719661 661502053 /nfs/dbraw/zinc/50/20/53/661502053.db2.gz YCGVMXLGGVNDCE-QYZOEREBSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@@H](C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)c1ccccc1 ZINC000931719661 661502056 /nfs/dbraw/zinc/50/20/56/661502056.db2.gz YCGVMXLGGVNDCE-QYZOEREBSA-N 2 2 302.462 3.321 20 0 DGADLP O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000932615753 661586565 /nfs/dbraw/zinc/58/65/65/661586565.db2.gz SUCUUUJTUXTDKT-UHFFFAOYSA-N 2 2 324.384 3.166 20 0 DGADLP O=[N+]([O-])c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1Cl ZINC000188271399 661923213 /nfs/dbraw/zinc/92/32/13/661923213.db2.gz DDEBRLYGRASSQA-UHFFFAOYSA-N 2 2 320.780 3.235 20 0 DGADLP CCN(C)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000190883706 662048191 /nfs/dbraw/zinc/04/81/91/662048191.db2.gz GLGDMWDFWLWUIN-UHFFFAOYSA-N 2 2 321.428 3.013 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192929570 662116297 /nfs/dbraw/zinc/11/62/97/662116297.db2.gz ITASWQSTGAGYAK-KXBFYZLASA-N 2 2 307.397 3.257 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718075685 662216521 /nfs/dbraw/zinc/21/65/21/662216521.db2.gz WCBGENXZZHRXTK-IMFGXOCKSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718075685 662216523 /nfs/dbraw/zinc/21/65/23/662216523.db2.gz WCBGENXZZHRXTK-IMFGXOCKSA-N 2 2 316.489 3.302 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095158 662247395 /nfs/dbraw/zinc/24/73/95/662247395.db2.gz IWYVBQHUQGTFJX-DZGCQCFKSA-N 2 2 318.852 3.063 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095158 662247396 /nfs/dbraw/zinc/24/73/96/662247396.db2.gz IWYVBQHUQGTFJX-DZGCQCFKSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095158 662247397 /nfs/dbraw/zinc/24/73/97/662247397.db2.gz IWYVBQHUQGTFJX-DZGCQCFKSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000246095158 662247398 /nfs/dbraw/zinc/24/73/98/662247398.db2.gz IWYVBQHUQGTFJX-DZGCQCFKSA-N 2 2 318.852 3.063 20 0 DGADLP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597305 1191852446 /nfs/dbraw/zinc/85/24/46/1191852446.db2.gz FIGKWJHJAZAVSE-IXDOHACOSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597305 1191852448 /nfs/dbraw/zinc/85/24/48/1191852448.db2.gz FIGKWJHJAZAVSE-IXDOHACOSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOc2ccc(Cl)c(F)c2)[C@H]1C ZINC001576652172 1191859887 /nfs/dbraw/zinc/85/98/87/1191859887.db2.gz TYSKRXQHJYARRD-FRRDWIJNSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOc2ccc(Cl)c(F)c2)[C@H]1C ZINC001576652172 1191859894 /nfs/dbraw/zinc/85/98/94/1191859894.db2.gz TYSKRXQHJYARRD-FRRDWIJNSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)[C@@H]1C[NH3+] ZINC001576708256 1191865433 /nfs/dbraw/zinc/86/54/33/1191865433.db2.gz AMBATCANVAISPO-MAUKXSAKSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)[C@@H]1C[NH3+] ZINC001576708256 1191865436 /nfs/dbraw/zinc/86/54/36/1191865436.db2.gz AMBATCANVAISPO-MAUKXSAKSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2O1 ZINC001576863699 1191872846 /nfs/dbraw/zinc/87/28/46/1191872846.db2.gz XLKVEHBZWFMIMK-OLMNPRSZSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2O1 ZINC001576863699 1191872847 /nfs/dbraw/zinc/87/28/47/1191872847.db2.gz XLKVEHBZWFMIMK-OLMNPRSZSA-N 2 2 300.446 3.117 20 0 DGADLP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001576983502 1191878098 /nfs/dbraw/zinc/87/80/98/1191878098.db2.gz QSIXOSRYDRGRCY-MLGOLLRUSA-N 2 2 314.433 3.003 20 0 DGADLP CCCOc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001577590809 1191908448 /nfs/dbraw/zinc/90/84/48/1191908448.db2.gz PDWFLPZFKACSJA-WMZOPIPTSA-N 2 2 320.477 3.141 20 0 DGADLP C[N@H+](Cc1ccc(-c2cccs2)cc1)C1(C[NH3+])CCOCC1 ZINC001578485476 1191946171 /nfs/dbraw/zinc/94/61/71/1191946171.db2.gz ICQZAIBHDWDHFT-UHFFFAOYSA-N 2 2 316.470 3.355 20 0 DGADLP C[N@@H+](Cc1ccc(-c2cccs2)cc1)C1(C[NH3+])CCOCC1 ZINC001578485476 1191946174 /nfs/dbraw/zinc/94/61/74/1191946174.db2.gz ICQZAIBHDWDHFT-UHFFFAOYSA-N 2 2 316.470 3.355 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(C[NH3+])cc2)CC1 ZINC001578524863 1191947429 /nfs/dbraw/zinc/94/74/29/1191947429.db2.gz KRYXAEBQGGGTTP-UHFFFAOYSA-N 3 2 323.484 3.242 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C[NH3+])cc2)CC1 ZINC001578524863 1191947434 /nfs/dbraw/zinc/94/74/34/1191947434.db2.gz KRYXAEBQGGGTTP-UHFFFAOYSA-N 3 2 323.484 3.242 20 0 DGADLP CO[C@H](C[N@@H+]1CCCC[C@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909059 1191960925 /nfs/dbraw/zinc/96/09/25/1191960925.db2.gz PCJHPLWALUOKQD-QZTJIDSGSA-N 2 2 306.425 3.121 20 0 DGADLP CO[C@H](C[N@H+]1CCCC[C@]12CCC[NH2+]C2)c1ccc(F)cc1 ZINC001578909059 1191960928 /nfs/dbraw/zinc/96/09/28/1191960928.db2.gz PCJHPLWALUOKQD-QZTJIDSGSA-N 2 2 306.425 3.121 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1cccc(OC)c1 ZINC001578970132 1191963774 /nfs/dbraw/zinc/96/37/74/1191963774.db2.gz LFTSJSQPTGXTHO-DOTOQJQBSA-N 2 2 308.466 3.126 20 0 DGADLP Cc1c2ccccc2sc1[C@@H](C)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001579544030 1191979440 /nfs/dbraw/zinc/97/94/40/1191979440.db2.gz PCKVBBKHZJBXDT-NFAWXSAZSA-N 2 2 304.459 3.237 20 0 DGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1C ZINC001579884305 1191997768 /nfs/dbraw/zinc/99/77/68/1191997768.db2.gz YXGDKNMICZMAAB-XYJFISCASA-N 2 2 310.445 3.289 20 0 DGADLP Clc1cnc(C[NH+]2CCC([C@@H]3[NH2+]CC34CCC4)CC2)s1 ZINC001579938967 1191999793 /nfs/dbraw/zinc/99/97/93/1191999793.db2.gz PLIAVYGGEBLGOP-AWEZNQCLSA-N 2 2 311.882 3.151 20 0 DGADLP Clc1ccnc(Cl)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001579938188 1192000264 /nfs/dbraw/zinc/00/02/64/1192000264.db2.gz CAFBXKIGTUQFOA-GFCCVEGCSA-N 2 2 314.260 3.210 20 0 DGADLP c1cn(-c2ccc(NCc3ccc4c(c3)C[NH2+]CC4)cc2)c[nH+]1 ZINC001580896779 1192045055 /nfs/dbraw/zinc/04/50/55/1192045055.db2.gz RDDVCBBVYHDSJC-UHFFFAOYSA-N 2 2 304.397 3.130 20 0 DGADLP CCn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC001620871700 1192502832 /nfs/dbraw/zinc/50/28/32/1192502832.db2.gz MNGVVXYRMKNNNF-IBGZPJMESA-N 2 2 323.444 3.247 20 0 DGADLP OCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000077459707 1176234324 /nfs/dbraw/zinc/23/43/24/1176234324.db2.gz SUTSWFHFAUFCNC-MRXNPFEDSA-N 2 2 313.426 3.147 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000227913225 1176577017 /nfs/dbraw/zinc/57/70/17/1176577017.db2.gz IYCGLALEZWITQC-ONGXEEELSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000227913225 1176577024 /nfs/dbraw/zinc/57/70/24/1176577024.db2.gz IYCGLALEZWITQC-ONGXEEELSA-N 2 2 317.296 3.236 20 0 DGADLP CC[NH+](CC)C[C@@H](C)NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000378917217 1176753431 /nfs/dbraw/zinc/75/34/31/1176753431.db2.gz MUNWFHMAADHUCG-OAHLLOKOSA-N 2 2 300.450 3.001 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1F)C[C@H]1CCC[NH2+]C1 ZINC000394808690 1176761204 /nfs/dbraw/zinc/76/12/04/1176761204.db2.gz YFNYWZPJPJUPOQ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1F)C[C@H]1CCC[NH2+]C1 ZINC000394808690 1176761209 /nfs/dbraw/zinc/76/12/09/1176761209.db2.gz YFNYWZPJPJUPOQ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP COc1cc2c(c(C[NH2+]CCC[N@H+](C)CC(C)C)c1)O[C@H](C)C2 ZINC001620995201 1192778397 /nfs/dbraw/zinc/77/83/97/1192778397.db2.gz WPVGFWHYHVYEJA-OAHLLOKOSA-N 2 2 320.477 3.086 20 0 DGADLP COc1cc2c(c(C[NH2+]CCC[N@@H+](C)CC(C)C)c1)O[C@H](C)C2 ZINC001620995201 1192778399 /nfs/dbraw/zinc/77/83/99/1192778399.db2.gz WPVGFWHYHVYEJA-OAHLLOKOSA-N 2 2 320.477 3.086 20 0 DGADLP CCc1cc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000663 1177014960 /nfs/dbraw/zinc/01/49/60/1177014960.db2.gz VVBICLCLMIVKMK-KBXCAEBGSA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000663 1177014969 /nfs/dbraw/zinc/01/49/69/1177014969.db2.gz VVBICLCLMIVKMK-KBXCAEBGSA-N 2 2 310.445 3.422 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc(C(F)(F)F)cs3)(C1)CCC2 ZINC001275478278 1177931030 /nfs/dbraw/zinc/93/10/30/1177931030.db2.gz HDIXPFQWNQDGOT-QWHCGFSZSA-N 2 2 319.396 3.316 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)cc2)[nH+]c1C ZINC001331419651 1178209148 /nfs/dbraw/zinc/20/91/48/1178209148.db2.gz NDWLPLZUUMHPEP-CABCVRRESA-N 2 2 312.417 3.005 20 0 DGADLP Cn1c[nH+]cc1CCC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC001332844506 1178506155 /nfs/dbraw/zinc/50/61/55/1178506155.db2.gz UQINTCXAVILULO-UHFFFAOYSA-N 2 2 317.458 3.009 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC001335403403 1178905290 /nfs/dbraw/zinc/90/52/90/1178905290.db2.gz BPQDEOXIJUXNQS-HNNXBMFYSA-N 2 2 302.462 3.316 20 0 DGADLP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001342323967 1179130316 /nfs/dbraw/zinc/13/03/16/1179130316.db2.gz DWDAJPXZSMDMKV-VAMGGRTRSA-N 2 2 315.505 3.113 20 0 DGADLP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001344554541 1179450177 /nfs/dbraw/zinc/45/01/77/1179450177.db2.gz BFRVEXDDQRLACA-ZBEGNZNMSA-N 2 2 314.433 3.396 20 0 DGADLP C[NH+](C)CC(C)(C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC001344567461 1179451966 /nfs/dbraw/zinc/45/19/66/1179451966.db2.gz JSLBSCDAWDWSQB-UHFFFAOYSA-N 2 2 304.356 3.058 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001349487407 1179910585 /nfs/dbraw/zinc/91/05/85/1179910585.db2.gz SMDHZNVFEKCDLC-WWGRRREGSA-N 2 2 301.459 3.286 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC001350957283 1180150815 /nfs/dbraw/zinc/15/08/15/1180150815.db2.gz QHCDRFQEOFNLCK-FGTMMUONSA-N 2 2 306.425 3.120 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC001350957283 1180150820 /nfs/dbraw/zinc/15/08/20/1180150820.db2.gz QHCDRFQEOFNLCK-FGTMMUONSA-N 2 2 306.425 3.120 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001351150896 1180179286 /nfs/dbraw/zinc/17/92/86/1180179286.db2.gz KMLHHNURXJRTDW-AWEZNQCLSA-N 2 2 300.406 3.017 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001351150896 1180179291 /nfs/dbraw/zinc/17/92/91/1180179291.db2.gz KMLHHNURXJRTDW-AWEZNQCLSA-N 2 2 300.406 3.017 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001351150897 1180179707 /nfs/dbraw/zinc/17/97/07/1180179707.db2.gz KMLHHNURXJRTDW-CQSZACIVSA-N 2 2 300.406 3.017 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001351150897 1180179710 /nfs/dbraw/zinc/17/97/10/1180179710.db2.gz KMLHHNURXJRTDW-CQSZACIVSA-N 2 2 300.406 3.017 20 0 DGADLP CCOc1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001621125044 1193016437 /nfs/dbraw/zinc/01/64/37/1193016437.db2.gz KLYFQKIAKMFNML-WMLDXEAASA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001621125044 1193016440 /nfs/dbraw/zinc/01/64/40/1193016440.db2.gz KLYFQKIAKMFNML-WMLDXEAASA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001621125044 1193016443 /nfs/dbraw/zinc/01/64/43/1193016443.db2.gz KLYFQKIAKMFNML-WMLDXEAASA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001621125044 1193016446 /nfs/dbraw/zinc/01/64/46/1193016446.db2.gz KLYFQKIAKMFNML-WMLDXEAASA-N 2 2 306.425 3.141 20 0 DGADLP c1cn(-c2csc(CNc3cnn(-c4cc[nH+]cc4)c3)c2)c[nH+]1 ZINC001200056345 1180352597 /nfs/dbraw/zinc/35/25/97/1180352597.db2.gz FQYFLWISZCAIBY-UHFFFAOYSA-N 2 2 322.397 3.127 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@H]3Cc4ccccc4O3)c2)c[nH+]1 ZINC001200161819 1180418718 /nfs/dbraw/zinc/41/87/18/1180418718.db2.gz MVPNHTZLRIQABJ-OAHLLOKOSA-N 2 2 311.410 3.027 20 0 DGADLP CCOc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001621125045 1193038917 /nfs/dbraw/zinc/03/89/17/1193038917.db2.gz KLYFQKIAKMFNML-YOEHRIQHSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001621125045 1193038921 /nfs/dbraw/zinc/03/89/21/1193038921.db2.gz KLYFQKIAKMFNML-YOEHRIQHSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001621125045 1193038924 /nfs/dbraw/zinc/03/89/24/1193038924.db2.gz KLYFQKIAKMFNML-YOEHRIQHSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001621125045 1193038926 /nfs/dbraw/zinc/03/89/26/1193038926.db2.gz KLYFQKIAKMFNML-YOEHRIQHSA-N 2 2 306.425 3.141 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125119 1193040295 /nfs/dbraw/zinc/04/02/95/1193040295.db2.gz LUVRTXWOMXOFOE-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125119 1193040297 /nfs/dbraw/zinc/04/02/97/1193040297.db2.gz LUVRTXWOMXOFOE-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125119 1193040300 /nfs/dbraw/zinc/04/03/00/1193040300.db2.gz LUVRTXWOMXOFOE-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cncc(Cl)c3Cl)CC[C@@H]21 ZINC001621125119 1193040302 /nfs/dbraw/zinc/04/03/02/1193040302.db2.gz LUVRTXWOMXOFOE-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)n1)c1ccccc1 ZINC001353974944 1180697488 /nfs/dbraw/zinc/69/74/88/1180697488.db2.gz FHVMMTJLNVMTHP-DRPJVOAASA-N 2 2 312.417 3.101 20 0 DGADLP CC(C)=CC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522314 1180758882 /nfs/dbraw/zinc/75/88/82/1180758882.db2.gz GTKKRZQMQSWIFI-UHFFFAOYSA-N 2 2 315.461 3.071 20 0 DGADLP Cc1cccn2c(CNc3ccc(OCC[NH+](C)C)cc3)c[nH+]c12 ZINC001200612026 1180759428 /nfs/dbraw/zinc/75/94/28/1180759428.db2.gz YEBBLLIRQMWSHH-UHFFFAOYSA-N 2 2 324.428 3.195 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C ZINC001354977990 1180950425 /nfs/dbraw/zinc/95/04/25/1180950425.db2.gz IVZLDBCPGNWXAH-CYUUQNCZSA-N 2 2 310.401 3.196 20 0 DGADLP [NH3+]CC1(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CCC1 ZINC001580243272 1182059068 /nfs/dbraw/zinc/05/90/68/1182059068.db2.gz ACIWAXAPRPYIGV-AWEZNQCLSA-N 2 2 324.266 3.110 20 0 DGADLP [NH3+]CC1(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CCC1 ZINC001580243272 1182059071 /nfs/dbraw/zinc/05/90/71/1182059071.db2.gz ACIWAXAPRPYIGV-AWEZNQCLSA-N 2 2 324.266 3.110 20 0 DGADLP CC[C@H](C)[C@H]([NH2+]CCCCn1cc[nH+]c1C)C(=O)OC(C)(C)C ZINC001459824547 1182619583 /nfs/dbraw/zinc/61/95/83/1182619583.db2.gz ILKWUMHSGMRDSR-HOCLYGCPSA-N 2 2 323.481 3.318 20 0 DGADLP CCC[C@@H](C)CCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001460709851 1182711606 /nfs/dbraw/zinc/71/16/06/1182711606.db2.gz YHBDPHVGBHBKRY-QGZVFWFLSA-N 2 2 323.525 3.009 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC001460822454 1182727960 /nfs/dbraw/zinc/72/79/60/1182727960.db2.gz UBSSKJCZDSURNJ-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC001460822454 1182727965 /nfs/dbraw/zinc/72/79/65/1182727965.db2.gz UBSSKJCZDSURNJ-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001461047367 1182761358 /nfs/dbraw/zinc/76/13/58/1182761358.db2.gz VKSSUIMSWIFAFV-STQMWFEESA-N 2 2 324.900 3.398 20 0 DGADLP C[C@@H](C[NH2+]Cc1cn2cc(Cl)ccc2n1)C[NH+]1CCCCC1 ZINC001461083854 1182765073 /nfs/dbraw/zinc/76/50/73/1182765073.db2.gz BKPQUXZPXWTERD-AWEZNQCLSA-N 2 2 320.868 3.199 20 0 DGADLP C[C@H](C[NH2+]Cc1cn2cc(Cl)ccc2n1)C[NH+]1CCCCC1 ZINC001461083858 1182765402 /nfs/dbraw/zinc/76/54/02/1182765402.db2.gz BKPQUXZPXWTERD-CQSZACIVSA-N 2 2 320.868 3.199 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2O1 ZINC001461084527 1182765420 /nfs/dbraw/zinc/76/54/20/1182765420.db2.gz APGXLHAJHDOAQB-RDTXWAMCSA-N 2 2 313.445 3.411 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1nccc2c1CCCC2 ZINC001462201350 1182921776 /nfs/dbraw/zinc/92/17/76/1182921776.db2.gz VMRPKILRZBCDMX-UHFFFAOYSA-N 2 2 301.478 3.268 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1nccc2c1CCCC2 ZINC001462201350 1182921778 /nfs/dbraw/zinc/92/17/78/1182921778.db2.gz VMRPKILRZBCDMX-UHFFFAOYSA-N 2 2 301.478 3.268 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(O)c(F)c1F ZINC001462533008 1182966037 /nfs/dbraw/zinc/96/60/37/1182966037.db2.gz KKMGPFPOBVYFFL-UHFFFAOYSA-N 2 2 312.404 3.368 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(O)c(F)c1F ZINC001462533008 1182966042 /nfs/dbraw/zinc/96/60/42/1182966042.db2.gz KKMGPFPOBVYFFL-UHFFFAOYSA-N 2 2 312.404 3.368 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC001462658321 1182981524 /nfs/dbraw/zinc/98/15/24/1182981524.db2.gz DYRKRXPGKXVSGR-CQSZACIVSA-N 2 2 318.461 3.229 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2CSC2)C[N@H+](Cc2ccccc2)C1 ZINC001462663628 1182982022 /nfs/dbraw/zinc/98/20/22/1182982022.db2.gz FNAXXRZSUFNEOL-QAPCUYQASA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2CSC2)C[N@@H+](Cc2ccccc2)C1 ZINC001462663628 1182982027 /nfs/dbraw/zinc/98/20/27/1182982027.db2.gz FNAXXRZSUFNEOL-QAPCUYQASA-N 2 2 304.503 3.240 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC001462674514 1182984325 /nfs/dbraw/zinc/98/43/25/1182984325.db2.gz ZIYCUHYOFNGVEN-UHFFFAOYSA-N 2 2 310.445 3.074 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H](C)c1ccncc1 ZINC001465206211 1183135604 /nfs/dbraw/zinc/13/56/04/1183135604.db2.gz ACOLZYSJVVTQIG-CYBMUJFWSA-N 2 2 321.384 3.103 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/C=C(Cl)Cl ZINC001465206357 1183135854 /nfs/dbraw/zinc/13/58/54/1183135854.db2.gz GEWUVJAVMQFEOH-DUXPYHPUSA-N 2 2 323.183 3.389 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001472635624 1183659804 /nfs/dbraw/zinc/65/98/04/1183659804.db2.gz YHLOPBINWVIHLV-QGZVFWFLSA-N 2 2 310.445 3.288 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001472635624 1183659811 /nfs/dbraw/zinc/65/98/11/1183659811.db2.gz YHLOPBINWVIHLV-QGZVFWFLSA-N 2 2 310.445 3.288 20 0 DGADLP CCc1cc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001472720143 1183672236 /nfs/dbraw/zinc/67/22/36/1183672236.db2.gz FEHRKBZTZBNZTF-LJQANCHMSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001472720143 1183672239 /nfs/dbraw/zinc/67/22/39/1183672239.db2.gz FEHRKBZTZBNZTF-LJQANCHMSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)Cc2ccccc2)nc(CC)[nH+]1 ZINC001472722836 1183672488 /nfs/dbraw/zinc/67/24/88/1183672488.db2.gz KCNIPSCYDPXUSY-UHFFFAOYSA-N 2 2 312.461 3.170 20 0 DGADLP Cc1cc(N(CC[NH+]2CCCCCC2)C2CCC2)nc(C)[nH+]1 ZINC001472792898 1183682275 /nfs/dbraw/zinc/68/22/75/1183682275.db2.gz FXQSXETUEUAQSB-UHFFFAOYSA-N 2 2 302.466 3.328 20 0 DGADLP CCc1cc(NCC2CC[NH+](CC3CC3)CC2)nc(CC)[nH+]1 ZINC001472840600 1183688878 /nfs/dbraw/zinc/68/88/78/1183688878.db2.gz AIMOYDBRDUMYKW-UHFFFAOYSA-N 2 2 302.466 3.135 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCCC34CCOCC4)CC2)[nH]1 ZINC001473205315 1183728354 /nfs/dbraw/zinc/72/83/54/1183728354.db2.gz GVGURWZEOWXGOA-INIZCTEOSA-N 2 2 303.450 3.186 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473893989 1183820036 /nfs/dbraw/zinc/82/00/36/1183820036.db2.gz DWMHBRADKFJLOB-UHFFFAOYSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1Cl ZINC001473895092 1183821002 /nfs/dbraw/zinc/82/10/02/1183821002.db2.gz ZUHNLLFEDVOPFW-UHFFFAOYSA-N 2 2 319.836 3.462 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001473912828 1183825653 /nfs/dbraw/zinc/82/56/53/1183825653.db2.gz WGKWPROJJLKIIU-UHFFFAOYSA-N 2 2 304.356 3.249 20 0 DGADLP CN(C)c1cc[nH+]cc1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001474057983 1183859121 /nfs/dbraw/zinc/85/91/21/1183859121.db2.gz DCCYQXFZVBFNKM-UHFFFAOYSA-N 2 2 311.364 3.085 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001474220210 1183884436 /nfs/dbraw/zinc/88/44/36/1183884436.db2.gz AKCZTPYCDFNLMT-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC001474220210 1183884441 /nfs/dbraw/zinc/88/44/41/1183884441.db2.gz AKCZTPYCDFNLMT-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321105 1183903532 /nfs/dbraw/zinc/90/35/32/1183903532.db2.gz YFHOWBZYCBZONL-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321105 1183903536 /nfs/dbraw/zinc/90/35/36/1183903536.db2.gz YFHOWBZYCBZONL-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321105 1183903538 /nfs/dbraw/zinc/90/35/38/1183903538.db2.gz YFHOWBZYCBZONL-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321105 1183903542 /nfs/dbraw/zinc/90/35/42/1183903542.db2.gz YFHOWBZYCBZONL-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001474505511 1183932913 /nfs/dbraw/zinc/93/29/13/1183932913.db2.gz VNXXHKQFNBALHC-OALUTQOASA-N 3 2 309.542 3.184 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC2(CO)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001474608622 1183948717 /nfs/dbraw/zinc/94/87/17/1183948717.db2.gz HBAHYXHWPIXIEJ-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC2(CO)CCC2)C[N@H+]1Cc1ccccc1 ZINC001474608622 1183948721 /nfs/dbraw/zinc/94/87/21/1183948721.db2.gz HBAHYXHWPIXIEJ-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480653362 1184567376 /nfs/dbraw/zinc/56/73/76/1184567376.db2.gz BAIMDQCMAFIOGK-CXAGYDPISA-N 2 2 317.477 3.105 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC001515237048 1186749397 /nfs/dbraw/zinc/74/93/97/1186749397.db2.gz BKPGFAFRJHIYHV-HNNXBMFYSA-N 2 2 306.413 3.427 20 0 DGADLP Cc1cc(C)cc(C2=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001616395388 1193537922 /nfs/dbraw/zinc/53/79/22/1193537922.db2.gz JGGRIERXCFWMJP-FQEVSTJZSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cc(C)cc(C2=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC001616395388 1193537924 /nfs/dbraw/zinc/53/79/24/1193537924.db2.gz JGGRIERXCFWMJP-FQEVSTJZSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cc(C)cc(C2=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC001616395388 1193537926 /nfs/dbraw/zinc/53/79/26/1193537926.db2.gz JGGRIERXCFWMJP-FQEVSTJZSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cc(C)cc(C2=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC001616395388 1193537928 /nfs/dbraw/zinc/53/79/28/1193537928.db2.gz JGGRIERXCFWMJP-FQEVSTJZSA-N 2 2 316.489 3.094 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC001549036110 1188488647 /nfs/dbraw/zinc/48/86/47/1188488647.db2.gz GCEZKCQJIACIRY-AXUOBQJMSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC001549036110 1188488650 /nfs/dbraw/zinc/48/86/50/1188488650.db2.gz GCEZKCQJIACIRY-AXUOBQJMSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC001549036116 1188488948 /nfs/dbraw/zinc/48/89/48/1188488948.db2.gz GCEZKCQJIACIRY-OAOYMFHYSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC001549036116 1188488951 /nfs/dbraw/zinc/48/89/51/1188488951.db2.gz GCEZKCQJIACIRY-OAOYMFHYSA-N 2 2 320.452 3.003 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001549284534 1188510145 /nfs/dbraw/zinc/51/01/45/1188510145.db2.gz QKPYCWPURGWTFL-CWRNSKLLSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001549284534 1188510149 /nfs/dbraw/zinc/51/01/49/1188510149.db2.gz QKPYCWPURGWTFL-CWRNSKLLSA-N 2 2 312.379 3.378 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccccc2)c(C)n1 ZINC001549337798 1188513534 /nfs/dbraw/zinc/51/35/34/1188513534.db2.gz SXQIOCKPQMCXHA-VDGAXYAQSA-N 2 2 309.457 3.495 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[C@H]1c1ccccc1 ZINC001549547021 1188525651 /nfs/dbraw/zinc/52/56/51/1188525651.db2.gz PRUIALGKAYNFHX-GUDVDZBRSA-N 2 2 314.473 3.022 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(F)cc1C ZINC001550058420 1188576544 /nfs/dbraw/zinc/57/65/44/1188576544.db2.gz KTAGPZMPMBBDBN-CQSZACIVSA-N 2 2 317.408 3.256 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(F)cc1C ZINC001550058420 1188576547 /nfs/dbraw/zinc/57/65/47/1188576547.db2.gz KTAGPZMPMBBDBN-CQSZACIVSA-N 2 2 317.408 3.256 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001550174491 1188590092 /nfs/dbraw/zinc/59/00/92/1188590092.db2.gz BBPXRCFKEUDWPF-NUEKZKHPSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001550174491 1188590096 /nfs/dbraw/zinc/59/00/96/1188590096.db2.gz BBPXRCFKEUDWPF-NUEKZKHPSA-N 2 2 312.379 3.378 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])cc2)[nH+]c1C ZINC001550217163 1188594842 /nfs/dbraw/zinc/59/48/42/1188594842.db2.gz BSUPGUOOXKMKJV-GOEBONIOSA-N 2 2 312.417 3.007 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C3CC4(CC([NH3+])C4)C3)cc2)[nH+]c1C ZINC001550217669 1188595109 /nfs/dbraw/zinc/59/51/09/1188595109.db2.gz HHDYUOQWRNJNSJ-UHFFFAOYSA-N 2 2 324.428 3.150 20 0 DGADLP Cc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)sc1C(C)(C)C ZINC001550436776 1188615686 /nfs/dbraw/zinc/61/56/86/1188615686.db2.gz PUBNFEBMWHMIMZ-CXAGYDPISA-N 2 2 307.507 3.310 20 0 DGADLP Cc1nc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)sc1C(C)(C)C ZINC001550436776 1188615689 /nfs/dbraw/zinc/61/56/89/1188615689.db2.gz PUBNFEBMWHMIMZ-CXAGYDPISA-N 2 2 307.507 3.310 20 0 DGADLP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)sc1C(C)(C)C ZINC001550436778 1188615934 /nfs/dbraw/zinc/61/59/34/1188615934.db2.gz PUBNFEBMWHMIMZ-SUMWQHHRSA-N 2 2 307.507 3.310 20 0 DGADLP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)sc1C(C)(C)C ZINC001550436778 1188615938 /nfs/dbraw/zinc/61/59/38/1188615938.db2.gz PUBNFEBMWHMIMZ-SUMWQHHRSA-N 2 2 307.507 3.310 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001550617443 1188632187 /nfs/dbraw/zinc/63/21/87/1188632187.db2.gz DQLVZIJRIOYALI-CYBMUJFWSA-N 2 2 305.809 3.159 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001550617443 1188632191 /nfs/dbraw/zinc/63/21/91/1188632191.db2.gz DQLVZIJRIOYALI-CYBMUJFWSA-N 2 2 305.809 3.159 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC001551401125 1188738306 /nfs/dbraw/zinc/73/83/06/1188738306.db2.gz GTLOZTVCWPHHJF-JKSUJKDBSA-N 2 2 304.340 3.002 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001552312838 1188835632 /nfs/dbraw/zinc/83/56/32/1188835632.db2.gz KSBMCJDQYKRMML-WCIQWLHISA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001552312838 1188835638 /nfs/dbraw/zinc/83/56/38/1188835638.db2.gz KSBMCJDQYKRMML-WCIQWLHISA-N 2 2 314.473 3.371 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001553864759 1188952773 /nfs/dbraw/zinc/95/27/73/1188952773.db2.gz XXXXDIACHQFWCV-HNNXBMFYSA-N 2 2 321.428 3.051 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001553864759 1188952776 /nfs/dbraw/zinc/95/27/76/1188952776.db2.gz XXXXDIACHQFWCV-HNNXBMFYSA-N 2 2 321.428 3.051 20 0 DGADLP CC(C)C[C@@H](C[NH+](C)C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001559297664 1189194728 /nfs/dbraw/zinc/19/47/28/1189194728.db2.gz OBTUCAIAVXSRDD-AWEZNQCLSA-N 2 2 311.433 3.271 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001559777635 1189241483 /nfs/dbraw/zinc/24/14/83/1189241483.db2.gz SRFHPMJMSIHEBQ-AEFFLSMTSA-N 2 2 312.498 3.207 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001559777635 1189241489 /nfs/dbraw/zinc/24/14/89/1189241489.db2.gz SRFHPMJMSIHEBQ-AEFFLSMTSA-N 2 2 312.498 3.207 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(Cl)oc4ccccc43)C[C@]2(C)C1 ZINC001560186737 1189288486 /nfs/dbraw/zinc/28/84/86/1189288486.db2.gz LUORJVAEIBQCBR-PXAZEXFGSA-N 2 2 304.821 3.470 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(Cl)oc4ccccc43)C[C@]2(C)C1 ZINC001560186737 1189288487 /nfs/dbraw/zinc/28/84/87/1189288487.db2.gz LUORJVAEIBQCBR-PXAZEXFGSA-N 2 2 304.821 3.470 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(Cl)oc4ccccc43)C[C@]2(C)C1 ZINC001560186737 1189288491 /nfs/dbraw/zinc/28/84/91/1189288491.db2.gz LUORJVAEIBQCBR-PXAZEXFGSA-N 2 2 304.821 3.470 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(Cl)oc4ccccc43)C[C@]2(C)C1 ZINC001560186737 1189288494 /nfs/dbraw/zinc/28/84/94/1189288494.db2.gz LUORJVAEIBQCBR-PXAZEXFGSA-N 2 2 304.821 3.470 20 0 DGADLP COC(=O)CCCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234819 1189295745 /nfs/dbraw/zinc/29/57/45/1189295745.db2.gz QVJWHYXIYVSIQM-OAHLLOKOSA-N 2 2 321.465 3.161 20 0 DGADLP COC(=O)CCCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234819 1189295749 /nfs/dbraw/zinc/29/57/49/1189295749.db2.gz QVJWHYXIYVSIQM-OAHLLOKOSA-N 2 2 321.465 3.161 20 0 DGADLP CCCn1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c(C)n1 ZINC001560252677 1189299642 /nfs/dbraw/zinc/29/96/42/1189299642.db2.gz HVFSMMGQFPEUCR-UHFFFAOYSA-N 2 2 314.477 3.213 20 0 DGADLP CCCn1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC001560252677 1189299644 /nfs/dbraw/zinc/29/96/44/1189299644.db2.gz HVFSMMGQFPEUCR-UHFFFAOYSA-N 2 2 314.477 3.213 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C)ccc2C)cn1 ZINC001560277217 1189304535 /nfs/dbraw/zinc/30/45/35/1189304535.db2.gz LIJFLSZFZBFHCD-UHFFFAOYSA-N 2 2 306.413 3.482 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(C)c2F)cn1 ZINC001560277319 1189304724 /nfs/dbraw/zinc/30/47/24/1189304724.db2.gz PGJMSLBYGRDJDP-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560351237 1189316197 /nfs/dbraw/zinc/31/61/97/1189316197.db2.gz ULGJSQDLHGYQGV-CQSZACIVSA-N 2 2 307.463 3.068 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc([C@H]2CCCO2)s1)[NH+]1CCCCC1 ZINC001560437013 1189328048 /nfs/dbraw/zinc/32/80/48/1189328048.db2.gz ZKQCWTDWRGKUQW-GOEBONIOSA-N 2 2 323.506 3.349 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC001560530309 1189337113 /nfs/dbraw/zinc/33/71/13/1189337113.db2.gz HNDWEPVKQJJKEL-SJORKVTESA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC001560530309 1189337115 /nfs/dbraw/zinc/33/71/15/1189337115.db2.gz HNDWEPVKQJJKEL-SJORKVTESA-N 2 2 316.489 3.405 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)C[NH+](C)C ZINC001560585982 1189344716 /nfs/dbraw/zinc/34/47/16/1189344716.db2.gz WESJKHAFRGLTIT-FQEVSTJZSA-N 2 2 312.457 3.410 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896565 1189402044 /nfs/dbraw/zinc/40/20/44/1189402044.db2.gz CFDBOXDJGFIODC-HOTGVXAUSA-N 2 2 312.498 3.064 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896565 1189402047 /nfs/dbraw/zinc/40/20/47/1189402047.db2.gz CFDBOXDJGFIODC-HOTGVXAUSA-N 2 2 312.498 3.064 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCCCF)c(C)[nH+]1 ZINC001569130094 1190633721 /nfs/dbraw/zinc/63/37/21/1190633721.db2.gz MGMWCULPMFYRHE-HNNXBMFYSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCCCF)c(C)[nH+]1 ZINC001569130094 1190633725 /nfs/dbraw/zinc/63/37/25/1190633725.db2.gz MGMWCULPMFYRHE-HNNXBMFYSA-N 2 2 323.456 3.197 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001570620687 1190903345 /nfs/dbraw/zinc/90/33/45/1190903345.db2.gz GHHMAHAIWWIDSK-USQNJUIBSA-N 2 2 317.477 3.460 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001575460192 1191484268 /nfs/dbraw/zinc/48/42/68/1191484268.db2.gz HBHOMWYYXRISIC-CYBMUJFWSA-N 2 2 311.401 3.161 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC001576391554 1191581916 /nfs/dbraw/zinc/58/19/16/1191581916.db2.gz SZLCXOUWKGKZAX-UHTWSYAYSA-N 2 2 314.260 3.255 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1cc(F)ccc1N(C)C ZINC001621110076 1193764942 /nfs/dbraw/zinc/76/49/42/1193764942.db2.gz CPMHNEAJNQFHSM-ZDUSSCGKSA-N 2 2 316.424 3.204 20 0 DGADLP Cc1nnsc1[C@H](C)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001620498082 1193773412 /nfs/dbraw/zinc/77/34/12/1193773412.db2.gz FNECXJBDHJDLTR-JKSUJKDBSA-N 2 2 322.522 3.494 20 0 DGADLP Cc1nnsc1[C@H](C)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001620498082 1193773413 /nfs/dbraw/zinc/77/34/13/1193773413.db2.gz FNECXJBDHJDLTR-JKSUJKDBSA-N 2 2 322.522 3.494 20 0 DGADLP CC(C)OCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620694124 1193792372 /nfs/dbraw/zinc/79/23/72/1193792372.db2.gz NVMVOJFXHVNUND-GOSISDBHSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)OCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620694124 1193792375 /nfs/dbraw/zinc/79/23/75/1193792375.db2.gz NVMVOJFXHVNUND-GOSISDBHSA-N 2 2 304.478 3.444 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001620747201 1193797759 /nfs/dbraw/zinc/79/77/59/1193797759.db2.gz WMALLWSYSDNOQI-INIZCTEOSA-N 2 2 314.477 3.439 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001620747201 1193797760 /nfs/dbraw/zinc/79/77/60/1193797760.db2.gz WMALLWSYSDNOQI-INIZCTEOSA-N 2 2 314.477 3.439 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)C2CCCCCC2)CC1 ZINC001621234975 1193820690 /nfs/dbraw/zinc/82/06/90/1193820690.db2.gz MBUBEOPPZMXYND-MRXNPFEDSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@H]1CC[C@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001621261440 1193824280 /nfs/dbraw/zinc/82/42/80/1193824280.db2.gz UBKUOFGKRGSNKS-HKUYNNGSSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@H]1CC[C@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC001621261440 1193824282 /nfs/dbraw/zinc/82/42/82/1193824282.db2.gz UBKUOFGKRGSNKS-HKUYNNGSSA-N 2 2 315.505 3.113 20 0 DGADLP CN(C)c1cc[nH+]c(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c1 ZINC001637190679 1194656822 /nfs/dbraw/zinc/65/68/22/1194656822.db2.gz PBTQGZSPOHJSAT-UHFFFAOYSA-N 2 2 323.400 3.004 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Br ZINC000054629781 1194777770 /nfs/dbraw/zinc/77/77/70/1194777770.db2.gz BQVGPIDDFGOLEN-AGUYFDCRSA-N 2 2 309.251 3.164 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Br ZINC000054629781 1194777771 /nfs/dbraw/zinc/77/77/71/1194777771.db2.gz BQVGPIDDFGOLEN-AGUYFDCRSA-N 2 2 309.251 3.164 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Nc3nc(C)[nH+]c(C)c3C)C2)cc1 ZINC001643087854 1194969480 /nfs/dbraw/zinc/96/94/80/1194969480.db2.gz LHNABBHMUOAFDX-GOSISDBHSA-N 2 2 310.445 3.397 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](Nc3nc(C)[nH+]c(C)c3C)C2)cc1 ZINC001643087854 1194969599 /nfs/dbraw/zinc/96/95/99/1194969599.db2.gz LHNABBHMUOAFDX-GOSISDBHSA-N 2 2 310.445 3.397 20 0 DGADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643486758 1195029327 /nfs/dbraw/zinc/02/93/27/1195029327.db2.gz OKXOKQFPRQGCDW-RMJJICAUSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643486758 1195029332 /nfs/dbraw/zinc/02/93/32/1195029332.db2.gz OKXOKQFPRQGCDW-RMJJICAUSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1[C@@H](C)[C@H](C)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001643486758 1195029338 /nfs/dbraw/zinc/02/93/38/1195029338.db2.gz OKXOKQFPRQGCDW-RMJJICAUSA-N 2 2 316.489 3.254 20 0 DGADLP C[C@@H]1[C@@H](C)[C@H](C)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001643486758 1195029341 /nfs/dbraw/zinc/02/93/41/1195029341.db2.gz OKXOKQFPRQGCDW-RMJJICAUSA-N 2 2 316.489 3.254 20 0 DGADLP CC(C)Oc1cccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001644042542 1195076326 /nfs/dbraw/zinc/07/63/26/1195076326.db2.gz OQFHMMAHEAIRJC-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)Oc1cccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001644042542 1195076336 /nfs/dbraw/zinc/07/63/36/1195076336.db2.gz OQFHMMAHEAIRJC-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)Oc1cccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001644042542 1195076340 /nfs/dbraw/zinc/07/63/40/1195076340.db2.gz OQFHMMAHEAIRJC-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)Oc1cccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001644042542 1195076344 /nfs/dbraw/zinc/07/63/44/1195076344.db2.gz OQFHMMAHEAIRJC-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)[C@](O)(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843060 1195137839 /nfs/dbraw/zinc/13/78/39/1195137839.db2.gz WGBGFZPSZZJIGK-VQIMIIECSA-N 2 2 313.445 3.133 20 0 DGADLP CC(C)[C@](O)(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843060 1195137841 /nfs/dbraw/zinc/13/78/41/1195137841.db2.gz WGBGFZPSZZJIGK-VQIMIIECSA-N 2 2 313.445 3.133 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001645941813 1195207826 /nfs/dbraw/zinc/20/78/26/1195207826.db2.gz OZOHEMJBXORXNS-INIZCTEOSA-N 2 2 307.457 3.068 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001645941813 1195207828 /nfs/dbraw/zinc/20/78/28/1195207828.db2.gz OZOHEMJBXORXNS-INIZCTEOSA-N 2 2 307.457 3.068 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC001645941814 1195207943 /nfs/dbraw/zinc/20/79/43/1195207943.db2.gz OZOHEMJBXORXNS-MRXNPFEDSA-N 2 2 307.457 3.068 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC001645941814 1195207945 /nfs/dbraw/zinc/20/79/45/1195207945.db2.gz OZOHEMJBXORXNS-MRXNPFEDSA-N 2 2 307.457 3.068 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001647929665 1195265802 /nfs/dbraw/zinc/26/58/02/1195265802.db2.gz LEAYHUONCZJZRH-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001647929665 1195265811 /nfs/dbraw/zinc/26/58/11/1195265811.db2.gz LEAYHUONCZJZRH-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001647929665 1195265813 /nfs/dbraw/zinc/26/58/13/1195265813.db2.gz LEAYHUONCZJZRH-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001647929665 1195265821 /nfs/dbraw/zinc/26/58/21/1195265821.db2.gz LEAYHUONCZJZRH-KDURUIRLSA-N 2 2 302.462 3.247 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C(C)(C)C ZINC001649412016 1195334643 /nfs/dbraw/zinc/33/46/43/1195334643.db2.gz DCHKJAMRULKPJR-OAHLLOKOSA-N 2 2 322.884 3.444 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001650648162 1195369009 /nfs/dbraw/zinc/36/90/09/1195369009.db2.gz YWQVNQUGJYYEKU-UHFFFAOYSA-N 2 2 322.412 3.230 20 0 DGADLP FC(F)(F)c1c[nH+]ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001650701062 1195373643 /nfs/dbraw/zinc/37/36/43/1195373643.db2.gz FPADHVUTKBMKOA-UHFFFAOYSA-N 2 2 318.302 3.320 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)C[NH+](C)C ZINC001651545118 1195477724 /nfs/dbraw/zinc/47/77/24/1195477724.db2.gz CDMCBCXYSTWQND-AWEZNQCLSA-N 2 2 305.249 3.050 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC001652210884 1195563015 /nfs/dbraw/zinc/56/30/15/1195563015.db2.gz ZKWHXXYOSHTBOL-INIZCTEOSA-N 2 2 319.880 3.448 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC001652210884 1195563021 /nfs/dbraw/zinc/56/30/21/1195563021.db2.gz ZKWHXXYOSHTBOL-INIZCTEOSA-N 2 2 319.880 3.448 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@@H](OC)c2ccc(F)cc2)CC1 ZINC001652302805 1195578730 /nfs/dbraw/zinc/57/87/30/1195578730.db2.gz WUDDYSRIWBYSDK-GOSISDBHSA-N 2 2 308.441 3.319 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)c1 ZINC001652459891 1195599359 /nfs/dbraw/zinc/59/93/59/1195599359.db2.gz MTIJHFOIEYNFII-HOTGVXAUSA-N 2 2 303.450 3.039 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC001652459893 1195599695 /nfs/dbraw/zinc/59/96/95/1195599695.db2.gz MTIJHFOIEYNFII-JKSUJKDBSA-N 2 2 303.450 3.039 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653201758 1195697572 /nfs/dbraw/zinc/69/75/72/1195697572.db2.gz OWTSZANDKWXAOS-AZUAARDMSA-N 2 2 315.505 3.367 20 0 DGADLP CC[C@@H](C)C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653381056 1195715610 /nfs/dbraw/zinc/71/56/10/1195715610.db2.gz BFMIETTZSMTUET-GOSISDBHSA-N 2 2 303.494 3.177 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653381056 1195715613 /nfs/dbraw/zinc/71/56/13/1195715613.db2.gz BFMIETTZSMTUET-GOSISDBHSA-N 2 2 303.494 3.177 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)cc(C)[nH+]1 ZINC001655359471 1195907470 /nfs/dbraw/zinc/90/74/70/1195907470.db2.gz FNALBHLOCNVWOA-GOSISDBHSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)cc(C)[nH+]1 ZINC001655359471 1195907473 /nfs/dbraw/zinc/90/74/73/1195907473.db2.gz FNALBHLOCNVWOA-GOSISDBHSA-N 2 2 324.472 3.448 20 0 DGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc(C)n1 ZINC001655410688 1195914236 /nfs/dbraw/zinc/91/42/36/1195914236.db2.gz SZWQZJDZAQRWTP-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001655540380 1195929411 /nfs/dbraw/zinc/92/94/11/1195929411.db2.gz YXIRBXBSAPFLEX-AWEZNQCLSA-N 2 2 311.433 3.415 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001655540380 1195929414 /nfs/dbraw/zinc/92/94/14/1195929414.db2.gz YXIRBXBSAPFLEX-AWEZNQCLSA-N 2 2 311.433 3.415 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nccc3c2CCCC3)C1 ZINC001656061839 1195993457 /nfs/dbraw/zinc/99/34/57/1195993457.db2.gz JELPZSDIJXIAAC-IAGOWNOFSA-N 2 2 315.505 3.418 20 0 DGADLP CC(C)n1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC001656753553 1196068748 /nfs/dbraw/zinc/06/87/48/1196068748.db2.gz LQBNTIJVVHWQGG-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP CC(C)n1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC001656753553 1196068750 /nfs/dbraw/zinc/06/87/50/1196068750.db2.gz LQBNTIJVVHWQGG-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1F ZINC001657158863 1196113281 /nfs/dbraw/zinc/11/32/81/1196113281.db2.gz DNDIJDONAREHNG-CYBMUJFWSA-N 2 2 312.429 3.053 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001657760742 1196175536 /nfs/dbraw/zinc/17/55/36/1196175536.db2.gz JFDVDPBCOSQEDQ-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC001657760742 1196175538 /nfs/dbraw/zinc/17/55/38/1196175538.db2.gz JFDVDPBCOSQEDQ-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)CC2 ZINC001657910335 1196192789 /nfs/dbraw/zinc/19/27/89/1196192789.db2.gz MOFUORTZECBJJA-HKUYNNGSSA-N 2 2 316.489 3.263 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001657910335 1196192791 /nfs/dbraw/zinc/19/27/91/1196192791.db2.gz MOFUORTZECBJJA-HKUYNNGSSA-N 2 2 316.489 3.263 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001658315018 1196240750 /nfs/dbraw/zinc/24/07/50/1196240750.db2.gz IHNZYXPLOCEIAV-IBGZPJMESA-N 2 2 305.381 3.355 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2ccns2)C[N@@H+]1Cc1ccccc1 ZINC001658500272 1196265610 /nfs/dbraw/zinc/26/56/10/1196265610.db2.gz CLVYMPFNHGWOED-INIZCTEOSA-N 2 2 315.486 3.328 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2ccns2)C[N@H+]1Cc1ccccc1 ZINC001658500272 1196265612 /nfs/dbraw/zinc/26/56/12/1196265612.db2.gz CLVYMPFNHGWOED-INIZCTEOSA-N 2 2 315.486 3.328 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3csc(C)c3C)CC2)c1 ZINC001658931797 1196321009 /nfs/dbraw/zinc/32/10/09/1196321009.db2.gz QVLAXRYCOHBWSF-UHFFFAOYSA-N 2 2 317.458 3.091 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001659091552 1196343434 /nfs/dbraw/zinc/34/34/34/1196343434.db2.gz IIIVIXGUSFYFQM-PKOBYXMFSA-N 2 2 315.505 3.223 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001659091552 1196343438 /nfs/dbraw/zinc/34/34/38/1196343438.db2.gz IIIVIXGUSFYFQM-PKOBYXMFSA-N 2 2 315.505 3.223 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)nc1 ZINC001659704020 1196407353 /nfs/dbraw/zinc/40/73/53/1196407353.db2.gz KTBQCBAPFCFCLV-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)nc1 ZINC001659704020 1196407354 /nfs/dbraw/zinc/40/73/54/1196407354.db2.gz KTBQCBAPFCFCLV-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cs1 ZINC001660370286 1196475846 /nfs/dbraw/zinc/47/58/46/1196475846.db2.gz RJZDLFOKDCNBGM-HIFRSBDPSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cs1 ZINC001660370286 1196475848 /nfs/dbraw/zinc/47/58/48/1196475848.db2.gz RJZDLFOKDCNBGM-HIFRSBDPSA-N 2 2 324.490 3.087 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001660772916 1196522407 /nfs/dbraw/zinc/52/24/07/1196522407.db2.gz CWDWSHJSJLXKQZ-UHFFFAOYSA-N 2 2 318.383 3.449 20 0 DGADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)c(OC(F)F)cc1C ZINC001660781869 1196523221 /nfs/dbraw/zinc/52/32/21/1196523221.db2.gz GZNSRFBXFJVZII-UHFFFAOYSA-N 2 2 309.360 3.281 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878022 1196538230 /nfs/dbraw/zinc/53/82/30/1196538230.db2.gz NGYXGTSJUILJEX-JKSUJKDBSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878022 1196538234 /nfs/dbraw/zinc/53/82/34/1196538234.db2.gz NGYXGTSJUILJEX-JKSUJKDBSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001661599562 1196623116 /nfs/dbraw/zinc/62/31/16/1196623116.db2.gz AQPICVDNSCACPB-QWHCGFSZSA-N 2 2 312.889 3.159 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001662511407 1196727404 /nfs/dbraw/zinc/72/74/04/1196727404.db2.gz BQXNJXKPBUCHAD-FGTMMUONSA-N 2 2 310.526 3.418 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001662511407 1196727406 /nfs/dbraw/zinc/72/74/06/1196727406.db2.gz BQXNJXKPBUCHAD-FGTMMUONSA-N 2 2 310.526 3.418 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H](C)CC ZINC001663672314 1196924946 /nfs/dbraw/zinc/92/49/46/1196924946.db2.gz NBDOCHMGXAVCCA-CQSZACIVSA-N 2 2 319.493 3.495 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H](C)CC ZINC001663672314 1196924950 /nfs/dbraw/zinc/92/49/50/1196924950.db2.gz NBDOCHMGXAVCCA-CQSZACIVSA-N 2 2 319.493 3.495 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnn(-c2ccccc2C)c1 ZINC001664605413 1197020153 /nfs/dbraw/zinc/02/01/53/1197020153.db2.gz PZVNAJWTLJQMQJ-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnn(-c2ccccc2C)c1 ZINC001664605413 1197020159 /nfs/dbraw/zinc/02/01/59/1197020159.db2.gz PZVNAJWTLJQMQJ-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NCc3c(C)cc[nH+]c3N)cc2)c1C ZINC001664872602 1197073144 /nfs/dbraw/zinc/07/31/44/1197073144.db2.gz FUGCPFDGKBBMBI-UHFFFAOYSA-N 2 2 307.401 3.387 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001665712179 1197180163 /nfs/dbraw/zinc/18/01/63/1197180163.db2.gz KMWQOXOKZGPDLG-RDGPPVDQSA-N 2 2 309.542 3.349 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001665712179 1197180164 /nfs/dbraw/zinc/18/01/64/1197180164.db2.gz KMWQOXOKZGPDLG-RDGPPVDQSA-N 2 2 309.542 3.349 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001665926414 1197217041 /nfs/dbraw/zinc/21/70/41/1197217041.db2.gz SVRGEWBZTKZCGM-UHFFFAOYSA-N 2 2 305.809 3.159 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2ccccc2nc1OC ZINC001665947407 1197219963 /nfs/dbraw/zinc/21/99/63/1197219963.db2.gz ODRCTVYGEUDJMR-HNNXBMFYSA-N 2 2 315.461 3.453 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@H](C)COC ZINC001665965595 1197222043 /nfs/dbraw/zinc/22/20/43/1197222043.db2.gz OEKHZXSCERPIHQ-HNNXBMFYSA-N 2 2 318.465 3.073 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194844 1197692247 /nfs/dbraw/zinc/69/22/47/1197692247.db2.gz RTJQOKHUSQXVPE-RDTXWAMCSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000324194844 1197692248 /nfs/dbraw/zinc/69/22/48/1197692248.db2.gz RTJQOKHUSQXVPE-RDTXWAMCSA-N 2 2 315.392 3.042 20 0 DGADLP CCc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000389878895 1197711465 /nfs/dbraw/zinc/71/14/65/1197711465.db2.gz XCYZHBDHMADDRY-KSSFIOAISA-N 2 2 310.445 3.280 20 0 DGADLP CCc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000389878895 1197711469 /nfs/dbraw/zinc/71/14/69/1197711469.db2.gz XCYZHBDHMADDRY-KSSFIOAISA-N 2 2 310.445 3.280 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674686643 1197832939 /nfs/dbraw/zinc/83/29/39/1197832939.db2.gz HCJIAKFCOCMEAE-HLMASZERSA-N 2 2 314.433 3.016 20 0 DGADLP CC[N@H+](Cc1ccc(Br)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC000091472106 1198420071 /nfs/dbraw/zinc/42/00/71/1198420071.db2.gz IQBDLDOAANZQNR-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC000091472106 1198420076 /nfs/dbraw/zinc/42/00/76/1198420076.db2.gz IQBDLDOAANZQNR-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP c1cc(C[NH2+]CC2CCCCC2)cc(C[NH+]2CCOCC2)c1 ZINC000120846414 1198794110 /nfs/dbraw/zinc/79/41/10/1198794110.db2.gz NBFKCLQUVJYCAM-UHFFFAOYSA-N 2 2 302.462 3.189 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000300524816 1199365273 /nfs/dbraw/zinc/36/52/73/1199365273.db2.gz BNSWWUBTWJXXAB-XPKDYRNWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000300524816 1199365277 /nfs/dbraw/zinc/36/52/77/1199365277.db2.gz BNSWWUBTWJXXAB-XPKDYRNWSA-N 2 2 323.278 3.064 20 0 DGADLP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732133 1199708629 /nfs/dbraw/zinc/70/86/29/1199708629.db2.gz NWTBVGVEEXINAE-LEWJYISDSA-N 2 2 323.484 3.153 20 0 DGADLP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732133 1199708634 /nfs/dbraw/zinc/70/86/34/1199708634.db2.gz NWTBVGVEEXINAE-LEWJYISDSA-N 2 2 323.484 3.153 20 0 DGADLP CCCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754319093 1200205210 /nfs/dbraw/zinc/20/52/10/1200205210.db2.gz QJXUJMFLPBEIKU-OAHLLOKOSA-N 2 2 305.466 3.247 20 0 DGADLP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001754319093 1200205215 /nfs/dbraw/zinc/20/52/15/1200205215.db2.gz QJXUJMFLPBEIKU-OAHLLOKOSA-N 2 2 305.466 3.247 20 0 DGADLP CCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001698799680 1201428989 /nfs/dbraw/zinc/42/89/89/1201428989.db2.gz HUBKYFHPVDALBI-UHFFFAOYSA-N 2 2 303.450 3.049 20 0 DGADLP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001698839069 1201493222 /nfs/dbraw/zinc/49/32/22/1201493222.db2.gz NCYJSRGROVIFEK-OAHLLOKOSA-N 2 2 303.450 3.023 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000158643978 1202603975 /nfs/dbraw/zinc/60/39/75/1202603975.db2.gz VGWYEEUJDLZBPI-ROUUACIJSA-N 3 2 309.542 3.064 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)cc1 ZINC000236573761 1202612409 /nfs/dbraw/zinc/61/24/09/1202612409.db2.gz JMXPQBWVOJTYRY-UHFFFAOYSA-N 2 2 301.478 3.121 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC ZINC000237016787 1202640878 /nfs/dbraw/zinc/64/08/78/1202640878.db2.gz PXOFTPWTIBWUMT-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCC ZINC000237016787 1202640879 /nfs/dbraw/zinc/64/08/79/1202640879.db2.gz PXOFTPWTIBWUMT-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713409886 1202646926 /nfs/dbraw/zinc/64/69/26/1202646926.db2.gz BWUSWXHIISBESE-NNTXTVRGSA-N 2 2 314.433 3.017 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001714416252 1202920629 /nfs/dbraw/zinc/92/06/29/1202920629.db2.gz VCHILQAPOOSXDE-CQSZACIVSA-N 2 2 319.493 3.399 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714697195 1203104406 /nfs/dbraw/zinc/10/44/06/1203104406.db2.gz ACCSGAOISFYKOX-IUODEOHRSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001714734084 1203112518 /nfs/dbraw/zinc/11/25/18/1203112518.db2.gz CNWHWRQACXQTQU-AWEZNQCLSA-N 2 2 319.493 3.351 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]C(C)C)CC(C)C)c(C)[nH+]1 ZINC001714921320 1203200244 /nfs/dbraw/zinc/20/02/44/1203200244.db2.gz QOWJVJTUPBRCCW-INIZCTEOSA-N 2 2 305.466 3.149 20 0 DGADLP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001715622371 1203374968 /nfs/dbraw/zinc/37/49/68/1203374968.db2.gz KPJAPTZDASLWKL-CVEARBPZSA-N 2 2 323.456 3.099 20 0 DGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001724790976 1204047858 /nfs/dbraw/zinc/04/78/58/1204047858.db2.gz HWPZZHZLTDLIGM-ZDUSSCGKSA-N 2 2 317.477 3.295 20 0 DGADLP CCCCC[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725170262 1204109873 /nfs/dbraw/zinc/10/98/73/1204109873.db2.gz NZIMIXQIJGDTNI-HNNXBMFYSA-N 2 2 305.466 3.247 20 0 DGADLP CCCCC[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725170262 1204109874 /nfs/dbraw/zinc/10/98/74/1204109874.db2.gz NZIMIXQIJGDTNI-HNNXBMFYSA-N 2 2 305.466 3.247 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725495458 1204158895 /nfs/dbraw/zinc/15/88/95/1204158895.db2.gz CPHDEJBHYNKWSV-DOMZBBRYSA-N 2 2 305.466 3.103 20 0 DGADLP CC/C=C/CC[NH2+]C/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732881307 1204953857 /nfs/dbraw/zinc/95/38/57/1204953857.db2.gz LWJFNAJREXMTLF-AVQMFFATSA-N 2 2 315.461 3.239 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001732965478 1204967043 /nfs/dbraw/zinc/96/70/43/1204967043.db2.gz MJXOPUYESLWQIO-OAHLLOKOSA-N 2 2 305.466 3.151 20 0 DGADLP CCCC[C@H](C[NH2+]CCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001734098486 1205321888 /nfs/dbraw/zinc/32/18/88/1205321888.db2.gz YKSFOYCRHIACNI-MRXNPFEDSA-N 2 2 305.466 3.295 20 0 DGADLP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001165037852 721894921 /nfs/dbraw/zinc/89/49/21/721894921.db2.gz ZSQTVNHSLORPGQ-INIZCTEOSA-N 2 2 302.466 3.363 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206770994 1081628986 /nfs/dbraw/zinc/62/89/86/1081628986.db2.gz VONIEGPDCRQEJV-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206770994 1081628988 /nfs/dbraw/zinc/62/89/88/1081628988.db2.gz VONIEGPDCRQEJV-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[N@H+](Cc1cc(Br)cs1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042400260 1081683188 /nfs/dbraw/zinc/68/31/88/1081683188.db2.gz RZJNBNVDWADQRK-RYUDHWBXSA-N 2 2 303.269 3.212 20 0 DGADLP C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042400260 1081683191 /nfs/dbraw/zinc/68/31/91/1081683191.db2.gz RZJNBNVDWADQRK-RYUDHWBXSA-N 2 2 303.269 3.212 20 0 DGADLP c1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001203154021 1081929059 /nfs/dbraw/zinc/92/90/59/1081929059.db2.gz RMHTZAULNQDYRM-KRWDZBQOSA-N 2 2 312.461 3.175 20 0 DGADLP c1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001203154021 1081929064 /nfs/dbraw/zinc/92/90/64/1081929064.db2.gz RMHTZAULNQDYRM-KRWDZBQOSA-N 2 2 312.461 3.175 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000075784301 1082100266 /nfs/dbraw/zinc/10/02/66/1082100266.db2.gz UYMRIPDPFMZORV-HNNXBMFYSA-N 2 2 317.433 3.249 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C)C3)CC2)c1 ZINC001170111830 1082111771 /nfs/dbraw/zinc/11/17/71/1082111771.db2.gz FJGPNVPHSKBRNF-QAPCUYQASA-N 2 2 302.462 3.438 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139728 1082183643 /nfs/dbraw/zinc/18/36/43/1082183643.db2.gz WMUMZYQZZNNIOY-FXUDXRNXSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139728 1082183646 /nfs/dbraw/zinc/18/36/46/1082183646.db2.gz WMUMZYQZZNNIOY-FXUDXRNXSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001170139728 1082183648 /nfs/dbraw/zinc/18/36/48/1082183648.db2.gz WMUMZYQZZNNIOY-FXUDXRNXSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001170139728 1082183649 /nfs/dbraw/zinc/18/36/49/1082183649.db2.gz WMUMZYQZZNNIOY-FXUDXRNXSA-N 2 2 305.491 3.228 20 0 DGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC001204034546 1082262348 /nfs/dbraw/zinc/26/23/48/1082262348.db2.gz GYTQUISIYXQHRT-HUUCEWRRSA-N 2 2 304.484 3.373 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143435901 1082496695 /nfs/dbraw/zinc/49/66/95/1082496695.db2.gz JZAQORUGSONLGK-UHFFFAOYSA-N 2 2 308.319 3.108 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143435901 1082496698 /nfs/dbraw/zinc/49/66/98/1082496698.db2.gz JZAQORUGSONLGK-UHFFFAOYSA-N 2 2 308.319 3.108 20 0 DGADLP c1cn(C2CC[NH+](C[C@@H]3CCCC34CCOCC4)CC2)c[nH+]1 ZINC001167573016 1082535890 /nfs/dbraw/zinc/53/58/90/1082535890.db2.gz SFABKTKMZDTWSR-INIZCTEOSA-N 2 2 303.450 3.117 20 0 DGADLP COc1ccc2[nH+]c(N)n(-c3ccc(-c4[nH]cc[nH+]4)cc3)c2c1 ZINC001213085713 1082614900 /nfs/dbraw/zinc/61/49/00/1082614900.db2.gz SYWPPSYTCQFDOA-UHFFFAOYSA-N 2 2 305.341 3.006 20 0 DGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(N2CCCC2)[nH+]c1 ZINC001167624425 1082617310 /nfs/dbraw/zinc/61/73/10/1082617310.db2.gz HOQXTNVADKWRRB-UHFFFAOYSA-N 2 2 302.466 3.167 20 0 DGADLP CSc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158259719 1082649532 /nfs/dbraw/zinc/64/95/32/1082649532.db2.gz ROLIDWJSHZAVCL-LRDDRELGSA-N 2 2 308.495 3.463 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC(C)(C)CC1 ZINC001167658049 1082668149 /nfs/dbraw/zinc/66/81/49/1082668149.db2.gz BLARRWWBYJXBQF-IBGZPJMESA-N 2 2 318.505 3.380 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC(C)(C)CC1 ZINC001167658049 1082668150 /nfs/dbraw/zinc/66/81/50/1082668150.db2.gz BLARRWWBYJXBQF-IBGZPJMESA-N 2 2 318.505 3.380 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CCC(C)(C)CC1 ZINC001167658049 1082668152 /nfs/dbraw/zinc/66/81/52/1082668152.db2.gz BLARRWWBYJXBQF-IBGZPJMESA-N 2 2 318.505 3.380 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC001167658049 1082668153 /nfs/dbraw/zinc/66/81/53/1082668153.db2.gz BLARRWWBYJXBQF-IBGZPJMESA-N 2 2 318.505 3.380 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]C/C=C\c2ccccc2)c(C)[nH+]1 ZINC001131560689 1082687873 /nfs/dbraw/zinc/68/78/73/1082687873.db2.gz ZQNYWDJTVLWZRB-YFHOEESVSA-N 2 2 323.440 3.040 20 0 DGADLP CC1(C)[C@@H]2C[C@H](N(c3cc[nH+]cc3F)C3CC[NH2+]CC3)C[C@@H]21 ZINC001170766355 1083320222 /nfs/dbraw/zinc/32/02/22/1083320222.db2.gz LWJNPJMUKABPFA-QDMKHBRRSA-N 2 2 303.425 3.214 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167752213 1083626702 /nfs/dbraw/zinc/62/67/02/1083626702.db2.gz RNDKLCCHEQRRFM-CYBMUJFWSA-N 2 2 318.465 3.347 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1NCCC[N@H+]1CCCC[C@H]1C ZINC001167752213 1083626709 /nfs/dbraw/zinc/62/67/09/1083626709.db2.gz RNDKLCCHEQRRFM-CYBMUJFWSA-N 2 2 318.465 3.347 20 0 DGADLP Cc1ccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC001203372572 1083728495 /nfs/dbraw/zinc/72/84/95/1083728495.db2.gz CYFSICYAPPNQJG-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP CC(C)(C)OC(=O)Nc1cc(Nc2cc[nH+]c(N)c2)cc[nH+]1 ZINC001206521750 1083738891 /nfs/dbraw/zinc/73/88/91/1083738891.db2.gz CGXFHHYATFEPGE-UHFFFAOYSA-N 2 2 301.350 3.149 20 0 DGADLP COC(=O)c1csc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001183065807 1083871767 /nfs/dbraw/zinc/87/17/67/1083871767.db2.gz PULMYWWDOBIGEL-CJNGLKHVSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1csc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001183065807 1083871777 /nfs/dbraw/zinc/87/17/77/1083871777.db2.gz PULMYWWDOBIGEL-CJNGLKHVSA-N 2 2 324.490 3.087 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2csc(C)c2C)CC1 ZINC001183179239 1083888808 /nfs/dbraw/zinc/88/88/08/1083888808.db2.gz CGGVVOWGSUPZIT-UHFFFAOYSA-N 2 2 322.518 3.442 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205263907 1083922891 /nfs/dbraw/zinc/92/28/91/1083922891.db2.gz FOGYLYLQIXHJEY-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205263907 1083922899 /nfs/dbraw/zinc/92/28/99/1083922899.db2.gz FOGYLYLQIXHJEY-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184374689 1084166730 /nfs/dbraw/zinc/16/67/30/1084166730.db2.gz PPGAQENLEPAJGA-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cnn(C)c1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001184374689 1084166735 /nfs/dbraw/zinc/16/67/35/1084166735.db2.gz PPGAQENLEPAJGA-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205297088 1084175250 /nfs/dbraw/zinc/17/52/50/1084175250.db2.gz YSMLXFAXCGDZTO-AWEZNQCLSA-N 2 2 301.356 3.112 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205297088 1084175255 /nfs/dbraw/zinc/17/52/55/1084175255.db2.gz YSMLXFAXCGDZTO-AWEZNQCLSA-N 2 2 301.356 3.112 20 0 DGADLP CCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184851792 1084268540 /nfs/dbraw/zinc/26/85/40/1084268540.db2.gz QCRVBUPKLSZTOL-WMLDXEAASA-N 2 2 317.477 3.105 20 0 DGADLP CCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184851790 1084269430 /nfs/dbraw/zinc/26/94/30/1084269430.db2.gz QCRVBUPKLSZTOL-PBHICJAKSA-N 2 2 317.477 3.105 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc3sccc3nc2Cl)C[C@H]1C[NH3+] ZINC001205319079 1084306388 /nfs/dbraw/zinc/30/63/88/1084306388.db2.gz YKIYZUWYNDHNDG-CMPLNLGQSA-N 2 2 309.866 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc3sccc3nc2Cl)C[C@H]1C[NH3+] ZINC001205319079 1084306397 /nfs/dbraw/zinc/30/63/97/1084306397.db2.gz YKIYZUWYNDHNDG-CMPLNLGQSA-N 2 2 309.866 3.366 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2ccc(OC3CC[NH+](C)CC3)cn2)c1 ZINC001203660753 1084788992 /nfs/dbraw/zinc/78/89/92/1084788992.db2.gz LFIJLTZHXCDNQB-UHFFFAOYSA-N 2 2 312.417 3.310 20 0 DGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1 ZINC001167973410 1085915334 /nfs/dbraw/zinc/91/53/34/1085915334.db2.gz JZNIXHWJVWICQW-ALOPSCKCSA-N 2 2 318.436 3.329 20 0 DGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1 ZINC001167973410 1085915339 /nfs/dbraw/zinc/91/53/39/1085915339.db2.gz JZNIXHWJVWICQW-ALOPSCKCSA-N 2 2 318.436 3.329 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cccnn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168016338 1086304458 /nfs/dbraw/zinc/30/44/58/1086304458.db2.gz VDTPSHBIYJQBAL-HOTGVXAUSA-N 2 2 310.445 3.008 20 0 DGADLP Cc1nccnc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168035019 1086478837 /nfs/dbraw/zinc/47/88/37/1086478837.db2.gz SDMUMIKWJZEOHL-HOTGVXAUSA-N 2 2 324.472 3.316 20 0 DGADLP Fc1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)c(F)c1 ZINC001204683796 1086716575 /nfs/dbraw/zinc/71/65/75/1086716575.db2.gz AKWJUQMGYLODQW-UHFFFAOYSA-N 2 2 302.368 3.427 20 0 DGADLP Fc1ccc(-c2cccc(C[N@H+]3CCC[NH2+]CC3)c2)c(F)c1 ZINC001204683796 1086716579 /nfs/dbraw/zinc/71/65/79/1086716579.db2.gz AKWJUQMGYLODQW-UHFFFAOYSA-N 2 2 302.368 3.427 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168093399 1086851594 /nfs/dbraw/zinc/85/15/94/1086851594.db2.gz MZJTUMSWMXHPJF-KSSFIOAISA-N 2 2 320.452 3.256 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168093393 1086851635 /nfs/dbraw/zinc/85/16/35/1086851635.db2.gz MZJTUMSWMXHPJF-KBXCAEBGSA-N 2 2 320.452 3.256 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143109 1086983664 /nfs/dbraw/zinc/98/36/64/1086983664.db2.gz HBMGSHDQJXGDSU-KXBFYZLASA-N 2 2 320.452 3.289 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CCO1 ZINC001168143109 1086983670 /nfs/dbraw/zinc/98/36/70/1086983670.db2.gz HBMGSHDQJXGDSU-KXBFYZLASA-N 2 2 320.452 3.289 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)CC1 ZINC001168209204 1087057760 /nfs/dbraw/zinc/05/77/60/1087057760.db2.gz MQQVKTPKWFJDRO-PEVDHWGLSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)CC1 ZINC001168209204 1087057763 /nfs/dbraw/zinc/05/77/63/1087057763.db2.gz MQQVKTPKWFJDRO-PEVDHWGLSA-N 2 2 316.489 3.444 20 0 DGADLP CCc1nc(-n2c(C)c(CC[NH3+])c3cc(OC)ccc32)cc(C)[nH+]1 ZINC001158297700 1087764760 /nfs/dbraw/zinc/76/47/60/1087764760.db2.gz OWSZBHVOOSWWLL-UHFFFAOYSA-N 2 2 324.428 3.110 20 0 DGADLP Cc1nc(N2CC3(C2)CCC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001159025763 1088148450 /nfs/dbraw/zinc/14/84/50/1088148450.db2.gz ZHCVLXKAVBCOLA-UHFFFAOYSA-N 2 2 300.450 3.023 20 0 DGADLP c1cc2c(cc1Nc1ccc(N3CCCCC3)[nH+]c1)CC[NH2+]C2 ZINC001159167742 1088219188 /nfs/dbraw/zinc/21/91/88/1088219188.db2.gz QIZNDZBFBMRATF-UHFFFAOYSA-N 2 2 308.429 3.461 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001159333385 1088301293 /nfs/dbraw/zinc/30/12/93/1088301293.db2.gz AIZCIBFVXGGAMP-MRXNPFEDSA-N 2 2 310.401 3.147 20 0 DGADLP c1c[nH+]c(Nc2ccc(CN3CC[NH2+]CC3)cc2)c(C2CC2)c1 ZINC001159365742 1088320668 /nfs/dbraw/zinc/32/06/68/1088320668.db2.gz KWAOZDVKJOSDMB-UHFFFAOYSA-N 2 2 308.429 3.108 20 0 DGADLP CCCc1cc[nH+]c(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001159409609 1088340209 /nfs/dbraw/zinc/34/02/09/1088340209.db2.gz VJVXAIQEPOIAEE-UHFFFAOYSA-N 2 2 310.445 3.183 20 0 DGADLP CCc1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC001159654186 1088435571 /nfs/dbraw/zinc/43/55/71/1088435571.db2.gz SNURJNDYLQYYMY-IBGZPJMESA-N 2 2 324.472 3.466 20 0 DGADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc3c(c2)CC[NH2+]CC3)c1 ZINC001159679778 1088442340 /nfs/dbraw/zinc/44/23/40/1088442340.db2.gz ZBNVIMZLALHOCT-UHFFFAOYSA-N 2 2 308.429 3.114 20 0 DGADLP [NH3+][C@@H]1Cc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)cc2C1 ZINC001159827307 1088508215 /nfs/dbraw/zinc/50/82/15/1088508215.db2.gz LROFTINRKCTNHM-MRXNPFEDSA-N 2 2 308.429 3.241 20 0 DGADLP COc1cc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001159949771 1088566957 /nfs/dbraw/zinc/56/69/57/1088566957.db2.gz RDVGJWHSLYATSG-KRWDZBQOSA-N 2 2 313.401 3.273 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001236067069 1088578796 /nfs/dbraw/zinc/57/87/96/1088578796.db2.gz MHIVXTYLWHJOES-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001236067069 1088578802 /nfs/dbraw/zinc/57/88/02/1088578802.db2.gz MHIVXTYLWHJOES-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP [NH3+][C@@H]1CCCN(c2ccc(Nc3cccc4[nH+]c[nH]c43)cc2)C1 ZINC001159987161 1088588758 /nfs/dbraw/zinc/58/87/58/1088588758.db2.gz VFPNTUTXYRWYSJ-CYBMUJFWSA-N 2 2 307.401 3.234 20 0 DGADLP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403956 1088597962 /nfs/dbraw/zinc/59/79/62/1088597962.db2.gz QAICFFMUPKDSML-MRXNPFEDSA-N 2 2 317.477 3.413 20 0 DGADLP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403956 1088597982 /nfs/dbraw/zinc/59/79/82/1088597982.db2.gz QAICFFMUPKDSML-MRXNPFEDSA-N 2 2 317.477 3.413 20 0 DGADLP Cc1cc(C)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c[nH+]1 ZINC001160164197 1088678649 /nfs/dbraw/zinc/67/86/49/1088678649.db2.gz UTOYQQDZQNXUEK-CQSZACIVSA-N 2 2 301.365 3.322 20 0 DGADLP Cc1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc(C(C)(C)C)[nH+]1 ZINC001160743547 1088939753 /nfs/dbraw/zinc/93/97/53/1088939753.db2.gz NJPMHJTVZROMLZ-GHMZBOCLSA-N 2 2 316.371 3.035 20 0 DGADLP Cc1cc(NCc2ccc3c(c2)CC[NH2+]C3)nc(C(C)(C)C)[nH+]1 ZINC001155272609 1089035971 /nfs/dbraw/zinc/03/59/71/1089035971.db2.gz QAQBZXWYFCCUIT-UHFFFAOYSA-N 2 2 310.445 3.340 20 0 DGADLP Nc1cn(-c2cccc3[nH]c[nH+]c32)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001213029190 1089102091 /nfs/dbraw/zinc/10/20/91/1089102091.db2.gz HXWQMPZPVYEUGR-UHFFFAOYSA-N 2 2 319.343 3.221 20 0 DGADLP COc1cc(C)c[nH+]c1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161234463 1089163379 /nfs/dbraw/zinc/16/33/79/1089163379.db2.gz PQVTYNWXHGVVJH-UHFFFAOYSA-N 2 2 303.450 3.323 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@](C)(C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001484104627 1089189484 /nfs/dbraw/zinc/18/94/84/1089189484.db2.gz VNQSCOJTWDKQNZ-IBGZPJMESA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001484104628 1089189505 /nfs/dbraw/zinc/18/95/05/1089189505.db2.gz VNQSCOJTWDKQNZ-LJQANCHMSA-N 2 2 317.477 3.105 20 0 DGADLP C[NH+](C)CCOc1cc(F)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213033685 1089306667 /nfs/dbraw/zinc/30/66/67/1089306667.db2.gz SIVXYKJOHRFUJD-UHFFFAOYSA-N 2 2 314.364 3.386 20 0 DGADLP CCc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)nc(C)[nH+]1 ZINC001155993267 1089336763 /nfs/dbraw/zinc/33/67/63/1089336763.db2.gz DEGHTRJOSVOAOJ-UHFFFAOYSA-N 2 2 300.793 3.403 20 0 DGADLP COc1cc2c[nH+]c(N[C@@]3(C)CCC[N@H+](C)C3)cc2cc1OC ZINC001162339599 1089679923 /nfs/dbraw/zinc/67/99/23/1089679923.db2.gz MFLNMZWGHAJMLO-SFHVURJKSA-N 2 2 315.417 3.148 20 0 DGADLP COc1cc2c[nH+]c(N[C@@]3(C)CCC[N@@H+](C)C3)cc2cc1OC ZINC001162339599 1089679928 /nfs/dbraw/zinc/67/99/28/1089679928.db2.gz MFLNMZWGHAJMLO-SFHVURJKSA-N 2 2 315.417 3.148 20 0 DGADLP Cc1c[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)nc1NC1CC1 ZINC001156928372 1089752328 /nfs/dbraw/zinc/75/23/28/1089752328.db2.gz JJXWCSYTJHFEML-AWEZNQCLSA-N 2 2 303.454 3.036 20 0 DGADLP Cc1c[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)nc1NC1CC1 ZINC001156928372 1089752336 /nfs/dbraw/zinc/75/23/36/1089752336.db2.gz JJXWCSYTJHFEML-AWEZNQCLSA-N 2 2 303.454 3.036 20 0 DGADLP C[C@@H]1CCCC[C@@H]1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529838 1089775188 /nfs/dbraw/zinc/77/51/88/1089775188.db2.gz DXQVXDOCSZSKAW-KBAYOESNSA-N 2 2 301.478 3.458 20 0 DGADLP C[C@@H]1CCCC[C@@H]1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529838 1089775203 /nfs/dbraw/zinc/77/52/03/1089775203.db2.gz DXQVXDOCSZSKAW-KBAYOESNSA-N 2 2 301.478 3.458 20 0 DGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@@]2(F)CCCC[NH2+]C2)c1C ZINC001162580043 1089804612 /nfs/dbraw/zinc/80/46/12/1089804612.db2.gz MSNAZBQTRTZSEU-QGZVFWFLSA-N 2 2 308.445 3.285 20 0 DGADLP CC(C)(C)C(=[NH2+])Nc1nc(Cl)nc2c1C[N@@H+](C1CC1)CC2 ZINC001162656853 1089863768 /nfs/dbraw/zinc/86/37/68/1089863768.db2.gz FDUMIBDTZIJRAX-UHFFFAOYSA-N 2 2 307.829 3.086 20 0 DGADLP CC(C)(C)C(=[NH2+])Nc1nc(Cl)nc2c1C[N@H+](C1CC1)CC2 ZINC001162656853 1089863783 /nfs/dbraw/zinc/86/37/83/1089863783.db2.gz FDUMIBDTZIJRAX-UHFFFAOYSA-N 2 2 307.829 3.086 20 0 DGADLP Cc1cc2[nH]ccc2c(-n2cc(CC[NH3+])c3cc(O)ccc32)[nH+]1 ZINC001157218764 1089879135 /nfs/dbraw/zinc/87/91/35/1089879135.db2.gz XKWHRMPQACTKQR-UHFFFAOYSA-N 2 2 306.369 3.022 20 0 DGADLP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001162777351 1089949183 /nfs/dbraw/zinc/94/91/83/1089949183.db2.gz QTVWYCRCCWZGBK-AWEZNQCLSA-N 2 2 317.396 3.290 20 0 DGADLP COc1ccc2cc[nH+]c(NCC[C@@H]3CC[NH2+]CC3(F)F)c2c1 ZINC001162811714 1089967486 /nfs/dbraw/zinc/96/74/86/1089967486.db2.gz DFNREELEAVZLGN-ZDUSSCGKSA-N 2 2 321.371 3.290 20 0 DGADLP CC(C)Oc1cc[nH+]c(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)c1 ZINC001162875932 1090001819 /nfs/dbraw/zinc/00/18/19/1090001819.db2.gz NLAUPWUASOHLTN-INIZCTEOSA-N 2 2 321.465 3.028 20 0 DGADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1ccc2c([nH+]1)CCCC2 ZINC001162876966 1090002040 /nfs/dbraw/zinc/00/20/40/1090002040.db2.gz XMRMQBUJJJUKRR-QGZVFWFLSA-N 2 2 317.477 3.119 20 0 DGADLP CCCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001485175411 1090013009 /nfs/dbraw/zinc/01/30/09/1090013009.db2.gz QRXZMHPMWIIWSG-CABCVRRESA-N 2 2 305.466 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001162909612 1090019758 /nfs/dbraw/zinc/01/97/58/1090019758.db2.gz BEUIKJWYPCEPGN-AWEZNQCLSA-N 2 2 319.493 3.399 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001162909619 1090019808 /nfs/dbraw/zinc/01/98/08/1090019808.db2.gz BEUIKJWYPCEPGN-CQSZACIVSA-N 2 2 319.493 3.399 20 0 DGADLP CCCc1cc(N(C)CC[N@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC001157556402 1090026843 /nfs/dbraw/zinc/02/68/43/1090026843.db2.gz DPZRSUIMECYMQB-UHFFFAOYSA-N 2 2 312.461 3.306 20 0 DGADLP CCCc1cc(N(C)CC[N@@H+](C)Cc2ccccc2)nc(C)[nH+]1 ZINC001157556402 1090026856 /nfs/dbraw/zinc/02/68/56/1090026856.db2.gz DPZRSUIMECYMQB-UHFFFAOYSA-N 2 2 312.461 3.306 20 0 DGADLP c1ccc(COc2cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cc[nH+]2)cc1 ZINC001162984593 1090046086 /nfs/dbraw/zinc/04/60/86/1090046086.db2.gz LAQTZHOIMQHHFC-PKOBYXMFSA-N 2 2 309.413 3.357 20 0 DGADLP Cc1cccc2c1cc[nH+]c2Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001163052593 1090063623 /nfs/dbraw/zinc/06/36/23/1090063623.db2.gz HANHPWQYRKHLTG-HNNXBMFYSA-N 2 2 307.397 3.321 20 0 DGADLP COc1ccc2cc[nH+]c(Nc3ccc([C@H](C[NH3+])CO)cc3)c2c1 ZINC001163051726 1090063831 /nfs/dbraw/zinc/06/38/31/1090063831.db2.gz AFTYNSRQJUKOSS-OAHLLOKOSA-N 2 2 323.396 3.022 20 0 DGADLP CCC[N@H+]1C[C@H]2CN(c3[nH+]ccc4ccc(OC)cc43)C[C@H]2C1 ZINC001157689563 1090073543 /nfs/dbraw/zinc/07/35/43/1090073543.db2.gz AOCQCOQQVLCXMX-IYBDPMFKSA-N 2 2 311.429 3.021 20 0 DGADLP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4ccc(OC)cc43)C[C@H]2C1 ZINC001157689563 1090073555 /nfs/dbraw/zinc/07/35/55/1090073555.db2.gz AOCQCOQQVLCXMX-IYBDPMFKSA-N 2 2 311.429 3.021 20 0 DGADLP C=Cc1ccc(CNc2cccc(N3CC[NH+](C)CC3)[nH+]2)cc1 ZINC001157778109 1090108128 /nfs/dbraw/zinc/10/81/28/1090108128.db2.gz OOPGRFDKMMKSOG-UHFFFAOYSA-N 2 2 308.429 3.089 20 0 DGADLP CCCCc1nc(N[C@@H]2C[NH2+]Cc3ccsc32)cc(C)[nH+]1 ZINC001163220349 1090120753 /nfs/dbraw/zinc/12/07/53/1090120753.db2.gz CRJGVVQZOGVTNI-CYBMUJFWSA-N 2 2 302.447 3.446 20 0 DGADLP CCCc1cc(N(CC(C)(C)C)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001157891699 1090143938 /nfs/dbraw/zinc/14/39/38/1090143938.db2.gz MTTIVBQSODILRB-UHFFFAOYSA-N 2 2 304.482 3.342 20 0 DGADLP COc1cccc([C@H](C[NH3+])Nc2cc(C)[nH+]c(C(C)C)n2)c1 ZINC001163309668 1090146866 /nfs/dbraw/zinc/14/68/66/1090146866.db2.gz OPJWEIPCFYYUHE-HNNXBMFYSA-N 2 2 300.406 3.029 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[C@@H]([NH2+]C(C)C)C(C)C)c(C)[nH+]1 ZINC001485433941 1090151110 /nfs/dbraw/zinc/15/11/10/1090151110.db2.gz DOOIEWKJPUIMGQ-QGZVFWFLSA-N 2 2 319.493 3.492 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc1NCC1CC1 ZINC001163356347 1090160834 /nfs/dbraw/zinc/16/08/34/1090160834.db2.gz BTLJXNXINPUBDL-GDBMZVCRSA-N 2 2 317.481 3.138 20 0 DGADLP Cc1c[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1NCC1CC1 ZINC001163356347 1090160841 /nfs/dbraw/zinc/16/08/41/1090160841.db2.gz BTLJXNXINPUBDL-GDBMZVCRSA-N 2 2 317.481 3.138 20 0 DGADLP Cc1cccc2[nH+]c(CCNc3cc[nH+]cc3C(F)(F)F)cn21 ZINC001163643822 1090222919 /nfs/dbraw/zinc/22/29/19/1090222919.db2.gz XALXVOJWXJKJPZ-UHFFFAOYSA-N 2 2 320.318 3.133 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(N[C@@H](C)C[NH+](C)C)ccc21 ZINC001163786130 1090258581 /nfs/dbraw/zinc/25/85/81/1090258581.db2.gz KNVTWRFJNSLVRJ-AWEZNQCLSA-N 2 2 324.428 3.396 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]CC[C@@H](C)F)c(C)[nH+]1 ZINC001485731331 1090258725 /nfs/dbraw/zinc/25/87/25/1090258725.db2.gz TZANWAWPKHFQEZ-ZIAGYGMSSA-N 2 2 323.456 3.243 20 0 DGADLP Cc1nc(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC001164008169 1090316313 /nfs/dbraw/zinc/31/63/13/1090316313.db2.gz JUPSMEJFLNDVIS-INIZCTEOSA-N 2 2 310.445 3.285 20 0 DGADLP Cc1nc(N2C[C@H](C[NH3+])CC[C@@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164467917 1090428336 /nfs/dbraw/zinc/42/83/36/1090428336.db2.gz OFLJMFHZSVTSBH-ZFWWWQNUSA-N 2 2 302.466 3.396 20 0 DGADLP Cc1[nH+]c2c(n1-c1nccc3c(Cl)cccc31)CC[NH2+]CC2 ZINC001165352625 1090509938 /nfs/dbraw/zinc/50/99/38/1090509938.db2.gz DVBOUPUWLIDXJO-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cnc3ccccn23)C2CCCC2)CC1 ZINC001203160203 1090703134 /nfs/dbraw/zinc/70/31/34/1090703134.db2.gz XBRYRSZCGNPPFP-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cnc3ccccn23)C2CCCC2)CC1 ZINC001203160203 1090703137 /nfs/dbraw/zinc/70/31/37/1090703137.db2.gz XBRYRSZCGNPPFP-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001486204759 1090787633 /nfs/dbraw/zinc/78/76/33/1090787633.db2.gz HBPRQDADYPIDJJ-SJORKVTESA-N 2 2 317.477 3.295 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C ZINC001203752220 1090796249 /nfs/dbraw/zinc/79/62/49/1090796249.db2.gz LCLROLXEJWTHHA-UHFFFAOYSA-N 2 2 302.462 3.372 20 0 DGADLP Cc1[nH+]cn([C@@H]2Cc3cccc(Cl)c3C2)c1CSCC[NH3+] ZINC001168690190 1090804440 /nfs/dbraw/zinc/80/44/40/1090804440.db2.gz JHGCCMZMPTVINJ-CYBMUJFWSA-N 2 2 321.877 3.377 20 0 DGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001203922790 1090840386 /nfs/dbraw/zinc/84/03/86/1090840386.db2.gz AYIXXRFPEWTBMC-UHFFFAOYSA-N 2 2 323.912 3.190 20 0 DGADLP CC[C@@H](C)C[C@H](C)Nc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001168695636 1090886002 /nfs/dbraw/zinc/88/60/02/1090886002.db2.gz QPJXDSRXDFFADX-HIFRSBDPSA-N 2 2 319.497 3.197 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1C ZINC001204351211 1090954009 /nfs/dbraw/zinc/95/40/09/1090954009.db2.gz IABFDIICAPUSQI-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1C ZINC001204352478 1090954210 /nfs/dbraw/zinc/95/42/10/1090954210.db2.gz SLWUHBBZFNJABB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1C ZINC001204352478 1090954215 /nfs/dbraw/zinc/95/42/15/1090954215.db2.gz SLWUHBBZFNJABB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1C ZINC001204352478 1090954217 /nfs/dbraw/zinc/95/42/17/1090954217.db2.gz SLWUHBBZFNJABB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1C ZINC001204352478 1090954221 /nfs/dbraw/zinc/95/42/21/1090954221.db2.gz SLWUHBBZFNJABB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Clc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001276461605 1090961900 /nfs/dbraw/zinc/96/19/00/1090961900.db2.gz LZKCZEFOPQBNTD-UHFFFAOYSA-N 2 2 319.836 3.359 20 0 DGADLP CC(=O)n1cc(C[N@H+](C)CCC[NH+]2CCCC2)c2ccccc21 ZINC001204409609 1090962742 /nfs/dbraw/zinc/96/27/42/1090962742.db2.gz ZOWHADJQQSPAMT-UHFFFAOYSA-N 2 2 313.445 3.219 20 0 DGADLP CC(=O)n1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c2ccccc21 ZINC001204409609 1090962746 /nfs/dbraw/zinc/96/27/46/1090962746.db2.gz ZOWHADJQQSPAMT-UHFFFAOYSA-N 2 2 313.445 3.219 20 0 DGADLP COCC[N@H+](Cc1ccc(OC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204456733 1090973760 /nfs/dbraw/zinc/97/37/60/1090973760.db2.gz VISKMHVUIRDQKA-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP COCC[N@@H+](Cc1ccc(OC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204456733 1090973763 /nfs/dbraw/zinc/97/37/63/1090973763.db2.gz VISKMHVUIRDQKA-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204522102 1090990267 /nfs/dbraw/zinc/99/02/67/1090990267.db2.gz QMIYWJMWFXSGBL-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204522102 1090990272 /nfs/dbraw/zinc/99/02/72/1090990272.db2.gz QMIYWJMWFXSGBL-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204522102 1090990278 /nfs/dbraw/zinc/99/02/78/1090990278.db2.gz QMIYWJMWFXSGBL-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001204522102 1090990285 /nfs/dbraw/zinc/99/02/85/1090990285.db2.gz QMIYWJMWFXSGBL-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Clc1cccc2c1C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001168739850 1091034002 /nfs/dbraw/zinc/03/40/02/1091034002.db2.gz REKWMTQUCNKOLS-KGLIPLIRSA-N 2 2 301.821 3.343 20 0 DGADLP Clc1cccc2c1C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001168739849 1091034132 /nfs/dbraw/zinc/03/41/32/1091034132.db2.gz REKWMTQUCNKOLS-KBPBESRZSA-N 2 2 301.821 3.343 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001204941377 1091068409 /nfs/dbraw/zinc/06/84/09/1091068409.db2.gz KTFZRARHWJOBRI-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001204941377 1091068416 /nfs/dbraw/zinc/06/84/16/1091068416.db2.gz KTFZRARHWJOBRI-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205109482 1091104381 /nfs/dbraw/zinc/10/43/81/1091104381.db2.gz GYWTWNQAGLEKLM-GFCCVEGCSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C(F)(F)F)c1 ZINC001205109482 1091104384 /nfs/dbraw/zinc/10/43/84/1091104384.db2.gz GYWTWNQAGLEKLM-GFCCVEGCSA-N 2 2 302.340 3.027 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)c2)cc1 ZINC001205201392 1091129008 /nfs/dbraw/zinc/12/90/08/1091129008.db2.gz FCKLCKQIXFZQBQ-AUUYWEPGSA-N 2 2 324.424 3.062 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)c2)cc1 ZINC001205201392 1091129010 /nfs/dbraw/zinc/12/90/10/1091129010.db2.gz FCKLCKQIXFZQBQ-AUUYWEPGSA-N 2 2 324.424 3.062 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305489 1091177450 /nfs/dbraw/zinc/17/74/50/1091177450.db2.gz RRMDDIJZAYQMCV-ONGXEEELSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305489 1091177458 /nfs/dbraw/zinc/17/74/58/1091177458.db2.gz RRMDDIJZAYQMCV-ONGXEEELSA-N 2 2 322.321 3.400 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205325672 1091185732 /nfs/dbraw/zinc/18/57/32/1091185732.db2.gz QUGYWHAWPHGBJA-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205325672 1091185734 /nfs/dbraw/zinc/18/57/34/1091185734.db2.gz QUGYWHAWPHGBJA-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)nc1 ZINC001205431167 1091219420 /nfs/dbraw/zinc/21/94/20/1091219420.db2.gz WQQNBWCWRRHIHC-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)nc1 ZINC001205431167 1091219433 /nfs/dbraw/zinc/21/94/33/1091219433.db2.gz WQQNBWCWRRHIHC-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3cnccc3C2)cc1 ZINC001138542170 1091222083 /nfs/dbraw/zinc/22/20/83/1091222083.db2.gz AIRLLRCQOYRCKR-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3cnccc3C2)cc1 ZINC001138542170 1091222092 /nfs/dbraw/zinc/22/20/92/1091222092.db2.gz AIRLLRCQOYRCKR-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC001137611912 1091226554 /nfs/dbraw/zinc/22/65/54/1091226554.db2.gz RLMFXDCOTILVRO-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC001137611912 1091226564 /nfs/dbraw/zinc/22/65/64/1091226564.db2.gz RLMFXDCOTILVRO-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205770168 1091338644 /nfs/dbraw/zinc/33/86/44/1091338644.db2.gz LCHXADDHAOWOLC-LLVKDONJSA-N 2 2 311.351 3.031 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205770168 1091338654 /nfs/dbraw/zinc/33/86/54/1091338654.db2.gz LCHXADDHAOWOLC-LLVKDONJSA-N 2 2 311.351 3.031 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1CC ZINC001205767810 1091340341 /nfs/dbraw/zinc/34/03/41/1091340341.db2.gz AYVMLNIDHXMRHL-HNNXBMFYSA-N 2 2 312.404 3.064 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1CC ZINC001205767810 1091340353 /nfs/dbraw/zinc/34/03/53/1091340353.db2.gz AYVMLNIDHXMRHL-HNNXBMFYSA-N 2 2 312.404 3.064 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205787381 1091346754 /nfs/dbraw/zinc/34/67/54/1091346754.db2.gz GGKMWEGMAKOWBS-MRXNPFEDSA-N 2 2 320.383 3.264 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205787381 1091346765 /nfs/dbraw/zinc/34/67/65/1091346765.db2.gz GGKMWEGMAKOWBS-MRXNPFEDSA-N 2 2 320.383 3.264 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cncc(-c3ccccc3)c2)CCC1(F)F ZINC001205788954 1091349785 /nfs/dbraw/zinc/34/97/85/1091349785.db2.gz UGIKIGICDRJQQC-KRWDZBQOSA-N 2 2 317.383 3.165 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cncc(-c3ccccc3)c2)CCC1(F)F ZINC001205788954 1091349795 /nfs/dbraw/zinc/34/97/95/1091349795.db2.gz UGIKIGICDRJQQC-KRWDZBQOSA-N 2 2 317.383 3.165 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819833 1091366190 /nfs/dbraw/zinc/36/61/90/1091366190.db2.gz ZCWSXFHSMQEJBR-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819833 1091366201 /nfs/dbraw/zinc/36/62/01/1091366201.db2.gz ZCWSXFHSMQEJBR-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP CCCOc1ccccc1C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001138998815 1091411688 /nfs/dbraw/zinc/41/16/88/1091411688.db2.gz QINSZDYKVVQROO-QZTJIDSGSA-N 2 2 302.462 3.249 20 0 DGADLP Fc1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1-n1cc[nH+]c1 ZINC001205936674 1091421788 /nfs/dbraw/zinc/42/17/88/1091421788.db2.gz QJTUNLXLJOYKAV-UHFFFAOYSA-N 2 2 322.387 3.088 20 0 DGADLP COc1cc(O)ccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001139140736 1091462234 /nfs/dbraw/zinc/46/22/34/1091462234.db2.gz QCPQCFJDLJCAAE-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP COc1cc(O)ccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001139140736 1091462240 /nfs/dbraw/zinc/46/22/40/1091462240.db2.gz QCPQCFJDLJCAAE-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206209638 1091536420 /nfs/dbraw/zinc/53/64/20/1091536420.db2.gz HLVIJMQTZRDFEW-MSOLQXFVSA-N 2 2 313.420 3.318 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206209638 1091536428 /nfs/dbraw/zinc/53/64/28/1091536428.db2.gz HLVIJMQTZRDFEW-MSOLQXFVSA-N 2 2 313.420 3.318 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001206215042 1091538105 /nfs/dbraw/zinc/53/81/05/1091538105.db2.gz JWNPTQATXLHDRA-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001206215042 1091538113 /nfs/dbraw/zinc/53/81/13/1091538113.db2.gz JWNPTQATXLHDRA-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139395436 1091544297 /nfs/dbraw/zinc/54/42/97/1091544297.db2.gz WVVSDGOVIMDOAU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139395436 1091544305 /nfs/dbraw/zinc/54/43/05/1091544305.db2.gz WVVSDGOVIMDOAU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001206269845 1091558126 /nfs/dbraw/zinc/55/81/26/1091558126.db2.gz WKZTYGIUHSPOTK-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001206269845 1091558135 /nfs/dbraw/zinc/55/81/35/1091558135.db2.gz WKZTYGIUHSPOTK-HNNXBMFYSA-N 2 2 312.413 3.368 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206310754 1091573905 /nfs/dbraw/zinc/57/39/05/1091573905.db2.gz BQDQBVNEWBKYMQ-IBGZPJMESA-N 3 2 312.461 3.132 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206310754 1091573915 /nfs/dbraw/zinc/57/39/15/1091573915.db2.gz BQDQBVNEWBKYMQ-IBGZPJMESA-N 3 2 312.461 3.132 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206344034 1091586752 /nfs/dbraw/zinc/58/67/52/1091586752.db2.gz LSNSXLQHKUDDOS-INIZCTEOSA-N 2 2 309.816 3.474 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206344034 1091586759 /nfs/dbraw/zinc/58/67/59/1091586759.db2.gz LSNSXLQHKUDDOS-INIZCTEOSA-N 2 2 309.816 3.474 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)c2c1 ZINC001206351469 1091590503 /nfs/dbraw/zinc/59/05/03/1091590503.db2.gz CVUUEKXNWYSZNF-SFHVURJKSA-N 2 2 319.424 3.220 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)c2c1 ZINC001206351469 1091590513 /nfs/dbraw/zinc/59/05/13/1091590513.db2.gz CVUUEKXNWYSZNF-SFHVURJKSA-N 2 2 319.424 3.220 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001206363462 1091600480 /nfs/dbraw/zinc/60/04/80/1091600480.db2.gz XKCVKKNKDPRBOH-KRWDZBQOSA-N 2 2 305.372 3.027 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001206363462 1091600485 /nfs/dbraw/zinc/60/04/85/1091600485.db2.gz XKCVKKNKDPRBOH-KRWDZBQOSA-N 2 2 305.372 3.027 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644607 1091632232 /nfs/dbraw/zinc/63/22/32/1091632232.db2.gz LHBSMFDQYQFMPG-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644607 1091632233 /nfs/dbraw/zinc/63/22/33/1091632233.db2.gz LHBSMFDQYQFMPG-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644607 1091632239 /nfs/dbraw/zinc/63/22/39/1091632239.db2.gz LHBSMFDQYQFMPG-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644607 1091632242 /nfs/dbraw/zinc/63/22/42/1091632242.db2.gz LHBSMFDQYQFMPG-VQTJNVASSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001206540839 1091661836 /nfs/dbraw/zinc/66/18/36/1091661836.db2.gz DHWNJNHLZZMZAJ-HNNXBMFYSA-N 2 2 311.267 3.400 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001206540839 1091661842 /nfs/dbraw/zinc/66/18/42/1091661842.db2.gz DHWNJNHLZZMZAJ-HNNXBMFYSA-N 2 2 311.267 3.400 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001206540844 1091662235 /nfs/dbraw/zinc/66/22/35/1091662235.db2.gz DHWNJNHLZZMZAJ-OAHLLOKOSA-N 2 2 311.267 3.400 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001206540844 1091662237 /nfs/dbraw/zinc/66/22/37/1091662237.db2.gz DHWNJNHLZZMZAJ-OAHLLOKOSA-N 2 2 311.267 3.400 20 0 DGADLP CCCCC[N@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139760638 1091665833 /nfs/dbraw/zinc/66/58/33/1091665833.db2.gz TVIDTZYFCUJEQM-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP CCCCC[N@@H+](C)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139760638 1091665836 /nfs/dbraw/zinc/66/58/36/1091665836.db2.gz TVIDTZYFCUJEQM-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP CC(C)[N@H+](Cc1cc(F)cc(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206583052 1091677651 /nfs/dbraw/zinc/67/76/51/1091677651.db2.gz SCAWCKGRJVYSDM-CQSZACIVSA-N 2 2 300.368 3.456 20 0 DGADLP CC(C)[N@@H+](Cc1cc(F)cc(F)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206583052 1091677657 /nfs/dbraw/zinc/67/76/57/1091677657.db2.gz SCAWCKGRJVYSDM-CQSZACIVSA-N 2 2 300.368 3.456 20 0 DGADLP COCc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC001139829435 1091682912 /nfs/dbraw/zinc/68/29/12/1091682912.db2.gz LYRBLOLCONYLSG-UHFFFAOYSA-N 2 2 308.491 3.345 20 0 DGADLP Cc1cc(NCC2C[NH+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000716219717 1091713246 /nfs/dbraw/zinc/71/32/46/1091713246.db2.gz FPDQPJHVIXCBNB-UHFFFAOYSA-N 2 2 310.445 3.452 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206769726 1091733261 /nfs/dbraw/zinc/73/32/61/1091733261.db2.gz PTABZNZAJMKKAJ-RYUDHWBXSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206769726 1091733266 /nfs/dbraw/zinc/73/32/66/1091733266.db2.gz PTABZNZAJMKKAJ-RYUDHWBXSA-N 2 2 316.367 3.273 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140087356 1091762424 /nfs/dbraw/zinc/76/24/24/1091762424.db2.gz METHHSAZOYCHIK-OAHLLOKOSA-N 2 2 318.804 3.402 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140087356 1091762428 /nfs/dbraw/zinc/76/24/28/1091762428.db2.gz METHHSAZOYCHIK-OAHLLOKOSA-N 2 2 318.804 3.402 20 0 DGADLP CC(C)(C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000827635623 1091774707 /nfs/dbraw/zinc/77/47/07/1091774707.db2.gz KZTDKUNCAXBROJ-UHFFFAOYSA-N 2 2 312.417 3.075 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(O)cc1F ZINC001140128500 1091775326 /nfs/dbraw/zinc/77/53/26/1091775326.db2.gz QSTXOWXBILTDAW-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(O)cc1F ZINC001140128500 1091775334 /nfs/dbraw/zinc/77/53/34/1091775334.db2.gz QSTXOWXBILTDAW-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1F ZINC001140128500 1091775344 /nfs/dbraw/zinc/77/53/44/1091775344.db2.gz QSTXOWXBILTDAW-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1F ZINC001140128500 1091775349 /nfs/dbraw/zinc/77/53/49/1091775349.db2.gz QSTXOWXBILTDAW-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)cc1O ZINC001140195707 1091796142 /nfs/dbraw/zinc/79/61/42/1091796142.db2.gz BVSIAVWWEBPGJS-UHFFFAOYSA-N 2 2 302.462 3.459 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319315 1091823338 /nfs/dbraw/zinc/82/33/38/1091823338.db2.gz WSPJKIGTZJOLIL-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319315 1091823343 /nfs/dbraw/zinc/82/33/43/1091823343.db2.gz WSPJKIGTZJOLIL-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319315 1091823349 /nfs/dbraw/zinc/82/33/49/1091823349.db2.gz WSPJKIGTZJOLIL-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-c3cccnc3)C[C@H]21 ZINC001140319315 1091823356 /nfs/dbraw/zinc/82/33/56/1091823356.db2.gz WSPJKIGTZJOLIL-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716272753 1091859217 /nfs/dbraw/zinc/85/92/17/1091859217.db2.gz ULXSHMUBCWCCPT-QGZVFWFLSA-N 2 2 324.468 3.348 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@@H](C)C(=O)OC)C2)C1 ZINC001276519413 1091908359 /nfs/dbraw/zinc/90/83/59/1091908359.db2.gz VRRMUEUMXHTZJC-SJORKVTESA-N 2 2 324.509 3.020 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](C[C@@H](C)C(=O)OC)C2)C1 ZINC001276519413 1091908364 /nfs/dbraw/zinc/90/83/64/1091908364.db2.gz VRRMUEUMXHTZJC-SJORKVTESA-N 2 2 324.509 3.020 20 0 DGADLP CC/C=C\CC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522287 1091920014 /nfs/dbraw/zinc/92/00/14/1091920014.db2.gz JCSIKUSCBGLHKP-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522287 1091920021 /nfs/dbraw/zinc/92/00/21/1091920021.db2.gz JCSIKUSCBGLHKP-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522287 1091920026 /nfs/dbraw/zinc/92/00/26/1091920026.db2.gz JCSIKUSCBGLHKP-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522287 1091920030 /nfs/dbraw/zinc/92/00/30/1091920030.db2.gz JCSIKUSCBGLHKP-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522835 1091922069 /nfs/dbraw/zinc/92/20/69/1091922069.db2.gz PRTCHNNILCUVBJ-DDKKJVIOSA-N 2 2 302.466 3.054 20 0 DGADLP CC/C=C\CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522835 1091922073 /nfs/dbraw/zinc/92/20/73/1091922073.db2.gz PRTCHNNILCUVBJ-DDKKJVIOSA-N 2 2 302.466 3.054 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522835 1091922076 /nfs/dbraw/zinc/92/20/76/1091922076.db2.gz PRTCHNNILCUVBJ-DDKKJVIOSA-N 2 2 302.466 3.054 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522835 1091922080 /nfs/dbraw/zinc/92/20/80/1091922080.db2.gz PRTCHNNILCUVBJ-DDKKJVIOSA-N 2 2 302.466 3.054 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001207372645 1091942114 /nfs/dbraw/zinc/94/21/14/1091942114.db2.gz URDUXCPVLUVKBV-HOTGVXAUSA-N 2 2 304.434 3.048 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001207372645 1091942123 /nfs/dbraw/zinc/94/21/23/1091942123.db2.gz URDUXCPVLUVKBV-HOTGVXAUSA-N 2 2 304.434 3.048 20 0 DGADLP Fc1ccccc1CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001207496254 1091990850 /nfs/dbraw/zinc/99/08/50/1091990850.db2.gz DQUUCJXLAFMJHG-UHFFFAOYSA-N 2 2 300.377 3.307 20 0 DGADLP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805064 1092008294 /nfs/dbraw/zinc/00/82/94/1092008294.db2.gz QBEDYFSPUWBDOS-AWEZNQCLSA-N 2 2 315.417 3.259 20 0 DGADLP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805064 1092008302 /nfs/dbraw/zinc/00/83/02/1092008302.db2.gz QBEDYFSPUWBDOS-AWEZNQCLSA-N 2 2 315.417 3.259 20 0 DGADLP CCCCc1[nH]c(CN2CC[NH+](CC3CCCCC3)CC2)c[nH+]1 ZINC001141066803 1092125765 /nfs/dbraw/zinc/12/57/65/1092125765.db2.gz LYIBLFFQDGOYAE-UHFFFAOYSA-N 2 2 318.509 3.450 20 0 DGADLP CCCCc1[nH]cc(CN2CC[NH+](CC3CCCCC3)CC2)[nH+]1 ZINC001141066803 1092125768 /nfs/dbraw/zinc/12/57/68/1092125768.db2.gz LYIBLFFQDGOYAE-UHFFFAOYSA-N 2 2 318.509 3.450 20 0 DGADLP CCCCc1[nH]c(CN(C)C2CC[NH+](CCCC)CC2)c[nH+]1 ZINC001141073599 1092127860 /nfs/dbraw/zinc/12/78/60/1092127860.db2.gz IQPCFMCGRVCYDN-UHFFFAOYSA-N 2 2 306.498 3.449 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207952175 1092154833 /nfs/dbraw/zinc/15/48/33/1092154833.db2.gz MSPHYTNSVHVIMD-SFHVURJKSA-N 2 2 320.477 3.096 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207952175 1092154836 /nfs/dbraw/zinc/15/48/36/1092154836.db2.gz MSPHYTNSVHVIMD-SFHVURJKSA-N 2 2 320.477 3.096 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962299 1092160701 /nfs/dbraw/zinc/16/07/01/1092160701.db2.gz MBGIRZVUOCUUKG-GOSISDBHSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962299 1092160704 /nfs/dbraw/zinc/16/07/04/1092160704.db2.gz MBGIRZVUOCUUKG-GOSISDBHSA-N 2 2 320.452 3.291 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001141197613 1092172395 /nfs/dbraw/zinc/17/23/95/1092172395.db2.gz HVALMPMWDQJZNC-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001141197613 1092172399 /nfs/dbraw/zinc/17/23/99/1092172399.db2.gz HVALMPMWDQJZNC-INIZCTEOSA-N 2 2 300.377 3.491 20 0 DGADLP c1cn(-c2cccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2)cn1 ZINC001141237421 1092188739 /nfs/dbraw/zinc/18/87/39/1092188739.db2.gz SZLHDDQUGFIGFF-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP Cc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)ccc1Cl ZINC001141234447 1092189110 /nfs/dbraw/zinc/18/91/10/1092189110.db2.gz XFWMKIVDMYXPGQ-UHFFFAOYSA-N 2 2 321.852 3.278 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208109057 1092198663 /nfs/dbraw/zinc/19/86/63/1092198663.db2.gz KZFMGRKTBFSISO-KRWDZBQOSA-N 2 2 324.415 3.070 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208109057 1092198668 /nfs/dbraw/zinc/19/86/68/1092198668.db2.gz KZFMGRKTBFSISO-KRWDZBQOSA-N 2 2 324.415 3.070 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208111771 1092199828 /nfs/dbraw/zinc/19/98/28/1092199828.db2.gz ONXIEDZHPWOIFB-ZDUSSCGKSA-N 2 2 316.371 3.075 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208111771 1092199832 /nfs/dbraw/zinc/19/98/32/1092199832.db2.gz ONXIEDZHPWOIFB-ZDUSSCGKSA-N 2 2 316.371 3.075 20 0 DGADLP Fc1cccc(CC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001208199524 1092261632 /nfs/dbraw/zinc/26/16/32/1092261632.db2.gz RRGKNLGXNCTJKU-UHFFFAOYSA-N 2 2 308.416 3.267 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001492060176 1092366135 /nfs/dbraw/zinc/36/61/35/1092366135.db2.gz TUGGJIAOTWTDFA-CQSZACIVSA-N 2 2 305.466 3.151 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606939 1092425438 /nfs/dbraw/zinc/42/54/38/1092425438.db2.gz JGCKHDPVPAMULC-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606939 1092425443 /nfs/dbraw/zinc/42/54/43/1092425443.db2.gz JGCKHDPVPAMULC-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606939 1092425452 /nfs/dbraw/zinc/42/54/52/1092425452.db2.gz JGCKHDPVPAMULC-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)Cc2cccnc2)C1 ZINC001208606939 1092425456 /nfs/dbraw/zinc/42/54/56/1092425456.db2.gz JGCKHDPVPAMULC-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208649025 1092440646 /nfs/dbraw/zinc/44/06/46/1092440646.db2.gz OFRDVZDUJVYCEI-QGZVFWFLSA-N 2 2 315.461 3.167 20 0 DGADLP CC(C)[N@H+](Cc1ccc2c(c1)OCCCO2)C1CC[NH+](C)CC1 ZINC001142274086 1092456373 /nfs/dbraw/zinc/45/63/73/1092456373.db2.gz NRVKPXVZSJVYLU-UHFFFAOYSA-N 2 2 318.461 3.153 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2c(c1)OCCCO2)C1CC[NH+](C)CC1 ZINC001142274086 1092456378 /nfs/dbraw/zinc/45/63/78/1092456378.db2.gz NRVKPXVZSJVYLU-UHFFFAOYSA-N 2 2 318.461 3.153 20 0 DGADLP CC/C=C\CC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001208724811 1092473824 /nfs/dbraw/zinc/47/38/24/1092473824.db2.gz CWKMMUHMXCQGJC-FPLPWBNLSA-N 2 2 304.482 3.240 20 0 DGADLP CC/C=C\CC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001208724811 1092473829 /nfs/dbraw/zinc/47/38/29/1092473829.db2.gz CWKMMUHMXCQGJC-FPLPWBNLSA-N 2 2 304.482 3.240 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814994 1092522599 /nfs/dbraw/zinc/52/25/99/1092522599.db2.gz MZLQOWYDCHWGQA-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814994 1092522610 /nfs/dbraw/zinc/52/26/10/1092522610.db2.gz MZLQOWYDCHWGQA-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814994 1092522625 /nfs/dbraw/zinc/52/26/25/1092522625.db2.gz MZLQOWYDCHWGQA-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814994 1092522634 /nfs/dbraw/zinc/52/26/34/1092522634.db2.gz MZLQOWYDCHWGQA-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(F)cc1Cl)C2 ZINC001169099959 1092528811 /nfs/dbraw/zinc/52/88/11/1092528811.db2.gz XNYQFOMIHATCNM-ZSBIGDGJSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(F)cc1Cl)C2 ZINC001169099959 1092528821 /nfs/dbraw/zinc/52/88/21/1092528821.db2.gz XNYQFOMIHATCNM-ZSBIGDGJSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119082 1092542101 /nfs/dbraw/zinc/54/21/01/1092542101.db2.gz PYFZUGANTHPLQR-HLPPOEQASA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1cccnc1Cl)C1CC1)C2 ZINC001169119082 1092542106 /nfs/dbraw/zinc/54/21/06/1092542106.db2.gz PYFZUGANTHPLQR-HLPPOEQASA-N 2 2 305.853 3.401 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118614 1092543189 /nfs/dbraw/zinc/54/31/89/1092543189.db2.gz LYNYSRAEKHMHAI-FQLMCAECSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118614 1092543198 /nfs/dbraw/zinc/54/31/98/1092543198.db2.gz LYNYSRAEKHMHAI-FQLMCAECSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123129 1092546361 /nfs/dbraw/zinc/54/63/61/1092546361.db2.gz JEYOZYOIWHJSML-AYDFFVQHSA-N 2 2 306.837 3.378 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123129 1092546371 /nfs/dbraw/zinc/54/63/71/1092546371.db2.gz JEYOZYOIWHJSML-AYDFFVQHSA-N 2 2 306.837 3.378 20 0 DGADLP CSc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169138268 1092549780 /nfs/dbraw/zinc/54/97/80/1092549780.db2.gz OYDXHAOBSADWNS-WBMJQRKESA-N 2 2 308.495 3.463 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(=O)c4ccccc43)CC1)C2 ZINC001169153613 1092567407 /nfs/dbraw/zinc/56/74/07/1092567407.db2.gz LNJMMMJDAVHAQF-BJWYYQGGSA-N 2 2 324.468 3.232 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(=O)c4ccccc43)CC1)C2 ZINC001169153613 1092567421 /nfs/dbraw/zinc/56/74/21/1092567421.db2.gz LNJMMMJDAVHAQF-BJWYYQGGSA-N 2 2 324.468 3.232 20 0 DGADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccn2cc[nH+]c12 ZINC001169173384 1092585204 /nfs/dbraw/zinc/58/52/04/1092585204.db2.gz GENVUFMFIXBKER-UHFFFAOYSA-N 2 2 320.396 3.096 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929474 1092591725 /nfs/dbraw/zinc/59/17/25/1092591725.db2.gz STNOTZZZLFRDNX-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929474 1092591735 /nfs/dbraw/zinc/59/17/35/1092591735.db2.gz STNOTZZZLFRDNX-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929474 1092591750 /nfs/dbraw/zinc/59/17/50/1092591750.db2.gz STNOTZZZLFRDNX-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208929474 1092591762 /nfs/dbraw/zinc/59/17/62/1092591762.db2.gz STNOTZZZLFRDNX-ZIFCJYIRSA-N 2 2 302.462 3.008 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001169220394 1092597670 /nfs/dbraw/zinc/59/76/70/1092597670.db2.gz OTSRUHBCCGBBMM-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP Cc1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)cn1 ZINC001208939191 1092599633 /nfs/dbraw/zinc/59/96/33/1092599633.db2.gz HJNKYYROLNBOEV-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP Cc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)cn1 ZINC001208939191 1092599637 /nfs/dbraw/zinc/59/96/37/1092599637.db2.gz HJNKYYROLNBOEV-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001208939191 1092599646 /nfs/dbraw/zinc/59/96/46/1092599646.db2.gz HJNKYYROLNBOEV-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001208939191 1092599650 /nfs/dbraw/zinc/59/96/50/1092599650.db2.gz HJNKYYROLNBOEV-IBGZPJMESA-N 2 2 324.472 3.129 20 0 DGADLP CC[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001169239288 1092612668 /nfs/dbraw/zinc/61/26/68/1092612668.db2.gz XNSBZBQISJSATR-UHFFFAOYSA-N 3 2 307.526 3.105 20 0 DGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001169274025 1092622241 /nfs/dbraw/zinc/62/22/41/1092622241.db2.gz WAWSLKBNTYKSKH-QUCCMNQESA-N 2 2 315.505 3.367 20 0 DGADLP COCC[N@H+](Cc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC001143251651 1092641591 /nfs/dbraw/zinc/64/15/91/1092641591.db2.gz UPALVNQVVDGMCM-UHFFFAOYSA-N 2 2 312.404 3.167 20 0 DGADLP COCC[N@@H+](Cc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC001143251651 1092641596 /nfs/dbraw/zinc/64/15/96/1092641596.db2.gz UPALVNQVVDGMCM-UHFFFAOYSA-N 2 2 312.404 3.167 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209096905 1092649820 /nfs/dbraw/zinc/64/98/20/1092649820.db2.gz OEIVBQQCMPGXJN-MSOLQXFVSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209096905 1092649825 /nfs/dbraw/zinc/64/98/25/1092649825.db2.gz OEIVBQQCMPGXJN-MSOLQXFVSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209096905 1092649830 /nfs/dbraw/zinc/64/98/30/1092649830.db2.gz OEIVBQQCMPGXJN-MSOLQXFVSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209096905 1092649835 /nfs/dbraw/zinc/64/98/35/1092649835.db2.gz OEIVBQQCMPGXJN-MSOLQXFVSA-N 2 2 324.509 3.306 20 0 DGADLP C[NH+]1CCC([N@H+](CCOc2ccccc2)C2CCCC2)CC1 ZINC001209300571 1092729454 /nfs/dbraw/zinc/72/94/54/1092729454.db2.gz YVRWYVWCEYDBJS-UHFFFAOYSA-N 2 2 302.462 3.404 20 0 DGADLP C[NH+]1CCC([N@@H+](CCOc2ccccc2)C2CCCC2)CC1 ZINC001209300571 1092729459 /nfs/dbraw/zinc/72/94/59/1092729459.db2.gz YVRWYVWCEYDBJS-UHFFFAOYSA-N 2 2 302.462 3.404 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209558457 1092820003 /nfs/dbraw/zinc/82/00/03/1092820003.db2.gz IETXRGNLZKKMJY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209558457 1092820014 /nfs/dbraw/zinc/82/00/14/1092820014.db2.gz IETXRGNLZKKMJY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209558457 1092820023 /nfs/dbraw/zinc/82/00/23/1092820023.db2.gz IETXRGNLZKKMJY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209558457 1092820035 /nfs/dbraw/zinc/82/00/35/1092820035.db2.gz IETXRGNLZKKMJY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1[nH]c2ncccc2c1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209595523 1092840453 /nfs/dbraw/zinc/84/04/53/1092840453.db2.gz NTXGUAAVOGSKPN-UHFFFAOYSA-N 2 2 300.450 3.176 20 0 DGADLP Cc1[nH]c2ncccc2c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209595523 1092840464 /nfs/dbraw/zinc/84/04/64/1092840464.db2.gz NTXGUAAVOGSKPN-UHFFFAOYSA-N 2 2 300.450 3.176 20 0 DGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001209738385 1092897589 /nfs/dbraw/zinc/89/75/89/1092897589.db2.gz ZOARGXWNPSZJFW-INIZCTEOSA-N 2 2 317.820 3.191 20 0 DGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001209738385 1092897597 /nfs/dbraw/zinc/89/75/97/1092897597.db2.gz ZOARGXWNPSZJFW-INIZCTEOSA-N 2 2 317.820 3.191 20 0 DGADLP Cc1cc(N)[nH+]cc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001209961890 1092996054 /nfs/dbraw/zinc/99/60/54/1092996054.db2.gz PDWAYXUGTBQUEH-UHFFFAOYSA-N 2 2 315.377 3.458 20 0 DGADLP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc3c[nH+]ccc3c2)CC1 ZINC001210047258 1093026345 /nfs/dbraw/zinc/02/63/45/1093026345.db2.gz UFMFUJKHHCOWLK-UHFFFAOYSA-N 3 2 319.412 3.125 20 0 DGADLP Cc1cccc(C)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000091057642 1093319835 /nfs/dbraw/zinc/31/98/35/1093319835.db2.gz HQTBXBAHWOGZLY-UHFFFAOYSA-N 2 2 324.468 3.425 20 0 DGADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215189569 1093936208 /nfs/dbraw/zinc/93/62/08/1093936208.db2.gz AHQDFGKKVHQBNQ-RHSMWYFYSA-N 2 2 315.461 3.023 20 0 DGADLP CNc1cc(Nc2cc(Br)cn3cc[nH+]c23)cc[nH+]1 ZINC001216333382 1094176689 /nfs/dbraw/zinc/17/66/89/1094176689.db2.gz VELOLNAATKDPCP-UHFFFAOYSA-N 2 2 318.178 3.277 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(C)C)c(C)[nH+]1 ZINC001135042674 1094373116 /nfs/dbraw/zinc/37/31/16/1094373116.db2.gz CAEUWILQBCOZMZ-UKRRQHHQSA-N 2 2 305.466 3.149 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC001170795531 1094412375 /nfs/dbraw/zinc/41/23/75/1094412375.db2.gz DVGYVBFFHYTNKD-SFHVURJKSA-N 2 2 320.452 3.257 20 0 DGADLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001120520740 1094446636 /nfs/dbraw/zinc/44/66/36/1094446636.db2.gz ZUCJQKSPTJQVLG-OALUTQOASA-N 2 2 300.446 3.049 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170835700 1094619552 /nfs/dbraw/zinc/61/95/52/1094619552.db2.gz UVRIBTVDPPYNLD-GOSISDBHSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170835700 1094619557 /nfs/dbraw/zinc/61/95/57/1094619557.db2.gz UVRIBTVDPPYNLD-GOSISDBHSA-N 2 2 320.452 3.291 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001336708153 1094705538 /nfs/dbraw/zinc/70/55/38/1094705538.db2.gz YOFUSYYSXUOOMC-HIFRSBDPSA-N 2 2 320.234 3.135 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)c2ccc(Br)cc2)C[NH2+]1 ZINC001246176420 1095078858 /nfs/dbraw/zinc/07/88/58/1095078858.db2.gz QFEKAEPLQCAPSF-BXUZGUMPSA-N 2 2 311.267 3.414 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC001246299093 1095178798 /nfs/dbraw/zinc/17/87/98/1095178798.db2.gz FFPDXEHKDKOOTR-VXGBXAGGSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316838767 1095194986 /nfs/dbraw/zinc/19/49/86/1095194986.db2.gz QXBSWLULSCYQDE-ZYSHUDEJSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316838767 1095194992 /nfs/dbraw/zinc/19/49/92/1095194992.db2.gz QXBSWLULSCYQDE-ZYSHUDEJSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171064617 1095242144 /nfs/dbraw/zinc/24/21/44/1095242144.db2.gz SDCXUWFJRAUMAL-MFKMUULPSA-N 2 2 301.261 3.390 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001137039740 1095301989 /nfs/dbraw/zinc/30/19/89/1095301989.db2.gz KXNVQUGOJIYUAY-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001137039740 1095301996 /nfs/dbraw/zinc/30/19/96/1095301996.db2.gz KXNVQUGOJIYUAY-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cccn4cc[nH+]c34)c2C1 ZINC001171095254 1095331382 /nfs/dbraw/zinc/33/13/82/1095331382.db2.gz LVUGCSUVIUASNT-CYBMUJFWSA-N 2 2 302.381 3.094 20 0 DGADLP CCc1[nH]c(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)c(C)[nH+]1 ZINC001222109211 1095436259 /nfs/dbraw/zinc/43/62/59/1095436259.db2.gz BUPXVZSQTFZGAP-UHFFFAOYSA-N 3 2 318.509 3.416 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)cc(C)c1 ZINC001116065685 1095448943 /nfs/dbraw/zinc/44/89/43/1095448943.db2.gz DOXXLFPQNHPPDF-UHFFFAOYSA-N 2 2 306.369 3.445 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC001222148147 1095457352 /nfs/dbraw/zinc/45/73/52/1095457352.db2.gz LWZRKXCUIRUKIJ-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC001222148147 1095457356 /nfs/dbraw/zinc/45/73/56/1095457356.db2.gz LWZRKXCUIRUKIJ-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154608 1095462783 /nfs/dbraw/zinc/46/27/83/1095462783.db2.gz OERMRCBNWBUXMW-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP CCCOc1cc(F)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154608 1095462791 /nfs/dbraw/zinc/46/27/91/1095462791.db2.gz OERMRCBNWBUXMW-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC(C)C)c1 ZINC001222154731 1095462875 /nfs/dbraw/zinc/46/28/75/1095462875.db2.gz QBGBEYKGMJLWNK-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC(C)C)c1 ZINC001222154731 1095462878 /nfs/dbraw/zinc/46/28/78/1095462878.db2.gz QBGBEYKGMJLWNK-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP Oc1ccc(F)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167546 1095473331 /nfs/dbraw/zinc/47/33/31/1095473331.db2.gz NSLKYTDIOSMCFO-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1ccc(F)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167546 1095473336 /nfs/dbraw/zinc/47/33/36/1095473336.db2.gz NSLKYTDIOSMCFO-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1ccc(F)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167547 1095473786 /nfs/dbraw/zinc/47/37/86/1095473786.db2.gz NSLKYTDIOSMCFO-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1ccc(F)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167547 1095473790 /nfs/dbraw/zinc/47/37/90/1095473790.db2.gz NSLKYTDIOSMCFO-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222192330 1095483775 /nfs/dbraw/zinc/48/37/75/1095483775.db2.gz VHSGKBCLDKGGEH-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222192330 1095483783 /nfs/dbraw/zinc/48/37/83/1095483783.db2.gz VHSGKBCLDKGGEH-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222244493 1095509388 /nfs/dbraw/zinc/50/93/88/1095509388.db2.gz ZOMMNQYRROKYLN-LJQANCHMSA-N 2 2 302.462 3.439 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222244493 1095509397 /nfs/dbraw/zinc/50/93/97/1095509397.db2.gz ZOMMNQYRROKYLN-LJQANCHMSA-N 2 2 302.462 3.439 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264491 1095519536 /nfs/dbraw/zinc/51/95/36/1095519536.db2.gz BOIGOQFPJWQMHT-FQEVSTJZSA-N 3 2 324.472 3.146 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222264491 1095519550 /nfs/dbraw/zinc/51/95/50/1095519550.db2.gz BOIGOQFPJWQMHT-FQEVSTJZSA-N 3 2 324.472 3.146 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1F ZINC001222278196 1095525624 /nfs/dbraw/zinc/52/56/24/1095525624.db2.gz XRLMUGDQNVEMBE-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1F ZINC001222278196 1095525638 /nfs/dbraw/zinc/52/56/38/1095525638.db2.gz XRLMUGDQNVEMBE-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222344587 1095562642 /nfs/dbraw/zinc/56/26/42/1095562642.db2.gz AAXKJKOITRHWAI-LJQANCHMSA-N 2 2 302.462 3.338 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222344587 1095562654 /nfs/dbraw/zinc/56/26/54/1095562654.db2.gz AAXKJKOITRHWAI-LJQANCHMSA-N 2 2 302.462 3.338 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1C ZINC001222426441 1095607432 /nfs/dbraw/zinc/60/74/32/1095607432.db2.gz CQBVXPSBZPLBRM-LJQANCHMSA-N 2 2 302.462 3.338 20 0 DGADLP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1C ZINC001222426441 1095607435 /nfs/dbraw/zinc/60/74/35/1095607435.db2.gz CQBVXPSBZPLBRM-LJQANCHMSA-N 2 2 302.462 3.338 20 0 DGADLP Fc1cc(F)c(F)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1F ZINC001222453363 1095621239 /nfs/dbraw/zinc/62/12/39/1095621239.db2.gz YTHYFVSQAGVTAQ-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222465755 1095626527 /nfs/dbraw/zinc/62/65/27/1095626527.db2.gz YCHOYXQCMOVLSX-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1cccc(CCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222465755 1095626533 /nfs/dbraw/zinc/62/65/33/1095626533.db2.gz YCHOYXQCMOVLSX-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccn4cc(N)[nH+]c4c3)c2c1 ZINC001171169945 1095629883 /nfs/dbraw/zinc/62/98/83/1095629883.db2.gz TYCDVVFAFCQHLZ-CYBMUJFWSA-N 2 2 319.412 3.059 20 0 DGADLP COc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001144479219 1095679175 /nfs/dbraw/zinc/67/91/75/1095679175.db2.gz SPMHRSZRLAFRBU-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246576061 1095728115 /nfs/dbraw/zinc/72/81/15/1095728115.db2.gz YZBBLQSYYSOCFB-VXGBXAGGSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246576061 1095728130 /nfs/dbraw/zinc/72/81/30/1095728130.db2.gz YZBBLQSYYSOCFB-VXGBXAGGSA-N 2 2 301.261 3.466 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccnc1C(F)(F)F ZINC001144561566 1095712036 /nfs/dbraw/zinc/71/20/36/1095712036.db2.gz XDDKRULYDFQMTO-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccnc1C(F)(F)F ZINC001144561566 1095712050 /nfs/dbraw/zinc/71/20/50/1095712050.db2.gz XDDKRULYDFQMTO-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001137848102 1095761673 /nfs/dbraw/zinc/76/16/73/1095761673.db2.gz STSDJMNQGMRDRD-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001137848102 1095761682 /nfs/dbraw/zinc/76/16/82/1095761682.db2.gz STSDJMNQGMRDRD-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001137848102 1095761695 /nfs/dbraw/zinc/76/16/95/1095761695.db2.gz STSDJMNQGMRDRD-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001137848102 1095761701 /nfs/dbraw/zinc/76/17/01/1095761701.db2.gz STSDJMNQGMRDRD-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429262 1096009557 /nfs/dbraw/zinc/00/95/57/1096009557.db2.gz CBCGYKPHZFQHMD-CRYBEJKASA-N 2 2 321.415 3.069 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429262 1096009568 /nfs/dbraw/zinc/00/95/68/1096009568.db2.gz CBCGYKPHZFQHMD-CRYBEJKASA-N 2 2 321.415 3.069 20 0 DGADLP c1[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC001118578892 1096041133 /nfs/dbraw/zinc/04/11/33/1096041133.db2.gz NUIDEUQFXQHYAL-KRWDZBQOSA-N 2 2 324.472 3.288 20 0 DGADLP c1[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC001118578892 1096041146 /nfs/dbraw/zinc/04/11/46/1096041146.db2.gz NUIDEUQFXQHYAL-KRWDZBQOSA-N 2 2 324.472 3.288 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H](C)C[NH+]1CCCC1)CC2 ZINC001171292831 1096149472 /nfs/dbraw/zinc/14/94/72/1096149472.db2.gz OHRXPEPIKNCHAS-UONOGXRCSA-N 2 2 322.880 3.280 20 0 DGADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001341381627 1096166161 /nfs/dbraw/zinc/16/61/61/1096166161.db2.gz XJDOVNHZABNDNO-GOSISDBHSA-N 2 2 324.428 3.019 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)/C=C/[C@@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378254 1096182591 /nfs/dbraw/zinc/18/25/91/1096182591.db2.gz YXKULJAQRZKVCA-RNOHYWCBSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C=C[C@@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378254 1096182595 /nfs/dbraw/zinc/18/25/95/1096182595.db2.gz YXKULJAQRZKVCA-RNOHYWCBSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378253 1096182663 /nfs/dbraw/zinc/18/26/63/1096182663.db2.gz YXKULJAQRZKVCA-HYJLXUOHSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C=C[C@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001119378253 1096182668 /nfs/dbraw/zinc/18/26/68/1096182668.db2.gz YXKULJAQRZKVCA-HYJLXUOHSA-N 2 2 324.428 3.188 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171360545 1096527567 /nfs/dbraw/zinc/52/75/67/1096527567.db2.gz LEDCTMJGMDNINK-OAHLLOKOSA-N 2 2 313.351 3.260 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171360544 1096527974 /nfs/dbraw/zinc/52/79/74/1096527974.db2.gz LEDCTMJGMDNINK-HNNXBMFYSA-N 2 2 313.351 3.260 20 0 DGADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171381035 1096618193 /nfs/dbraw/zinc/61/81/93/1096618193.db2.gz ADHCQQLPIAKGBS-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171381035 1096618196 /nfs/dbraw/zinc/61/81/96/1096618196.db2.gz ADHCQQLPIAKGBS-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171405098 1096676007 /nfs/dbraw/zinc/67/60/07/1096676007.db2.gz QFCHYOBKFMVGFJ-RDJZCZTQSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171446905 1096832523 /nfs/dbraw/zinc/83/25/23/1096832523.db2.gz WHPQDFSSGZFCCF-QGZVFWFLSA-N 2 2 304.453 3.488 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171446905 1096832533 /nfs/dbraw/zinc/83/25/33/1096832533.db2.gz WHPQDFSSGZFCCF-QGZVFWFLSA-N 2 2 304.453 3.488 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171622117 1096936355 /nfs/dbraw/zinc/93/63/55/1096936355.db2.gz UCSKBXYUTLNECX-UHFFFAOYSA-N 2 2 320.477 3.445 20 0 DGADLP C[NH+]1C(C)(C)CC([NH+]2CCC([NH3+])(CC3CC3)CC2)CC1(C)C ZINC001171627033 1096938285 /nfs/dbraw/zinc/93/82/85/1096938285.db2.gz JKGMOAYAYITZNW-UHFFFAOYSA-N 3 2 307.526 3.231 20 0 DGADLP CCOc1ccnc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171627639 1096939303 /nfs/dbraw/zinc/93/93/03/1096939303.db2.gz ZCGTUKXILQJKDV-UHFFFAOYSA-N 2 2 305.466 3.221 20 0 DGADLP COC(=O)C[N@H+](C1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643382 1096950692 /nfs/dbraw/zinc/95/06/92/1096950692.db2.gz SAIBBTMVXSBAST-UHFFFAOYSA-N 2 2 310.482 3.055 20 0 DGADLP COC(=O)C[N@@H+](C1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643382 1096950696 /nfs/dbraw/zinc/95/06/96/1096950696.db2.gz SAIBBTMVXSBAST-UHFFFAOYSA-N 2 2 310.482 3.055 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171774423 1096969254 /nfs/dbraw/zinc/96/92/54/1096969254.db2.gz ZMVJGZNWXPPCPX-MRXNPFEDSA-N 2 2 307.372 3.268 20 0 DGADLP CCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC001171970912 1097019988 /nfs/dbraw/zinc/01/99/88/1097019988.db2.gz GKJJRFWMNGIFQO-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP CCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC001171970912 1097019993 /nfs/dbraw/zinc/01/99/93/1097019993.db2.gz GKJJRFWMNGIFQO-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP CC1([NH3+])CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974994 1097023386 /nfs/dbraw/zinc/02/33/86/1097023386.db2.gz JNRYJTBCPRRNON-GOSISDBHSA-N 3 2 315.505 3.243 20 0 DGADLP CC1([NH3+])CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171974994 1097023392 /nfs/dbraw/zinc/02/33/92/1097023392.db2.gz JNRYJTBCPRRNON-GOSISDBHSA-N 3 2 315.505 3.243 20 0 DGADLP Cc1ncncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171981011 1097028226 /nfs/dbraw/zinc/02/82/26/1097028226.db2.gz ZAJYGAWDKFSHNA-IBGZPJMESA-N 2 2 324.472 3.318 20 0 DGADLP Cc1ncncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171981011 1097028231 /nfs/dbraw/zinc/02/82/31/1097028231.db2.gz ZAJYGAWDKFSHNA-IBGZPJMESA-N 2 2 324.472 3.318 20 0 DGADLP CC1(C)C[C@H](N2CCn3c[nH+]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988064 1097029823 /nfs/dbraw/zinc/02/98/23/1097029823.db2.gz OLOXCJZZCKDFBR-GOSISDBHSA-N 2 2 324.472 3.142 20 0 DGADLP CC1(C)C[C@H](N2CCn3c[nH+]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988064 1097029826 /nfs/dbraw/zinc/02/98/26/1097029826.db2.gz OLOXCJZZCKDFBR-GOSISDBHSA-N 2 2 324.472 3.142 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@@H]1F ZINC001206155989 1097041503 /nfs/dbraw/zinc/04/15/03/1097041503.db2.gz ODLNBZKYFOXEBT-UONOGXRCSA-N 2 2 305.224 3.297 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)CC[C@@H]1F ZINC001206155989 1097041510 /nfs/dbraw/zinc/04/15/10/1097041510.db2.gz ODLNBZKYFOXEBT-UONOGXRCSA-N 2 2 305.224 3.297 20 0 DGADLP COc1cc2c(cc1OC1CC[NH+](C(C)(C)C)CC1)C=[NH+]CC2 ZINC001228092249 1097049684 /nfs/dbraw/zinc/04/96/84/1097049684.db2.gz PEBXJBBNRODBKV-UHFFFAOYSA-N 2 2 316.445 3.312 20 0 DGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001172256435 1097093988 /nfs/dbraw/zinc/09/39/88/1097093988.db2.gz WHCFHJPEHBUHDW-IBGZPJMESA-N 2 2 320.452 3.464 20 0 DGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001172256435 1097093995 /nfs/dbraw/zinc/09/39/95/1097093995.db2.gz WHCFHJPEHBUHDW-IBGZPJMESA-N 2 2 320.452 3.464 20 0 DGADLP Cc1[nH]c2ccc(O[C@@H]3CC[N@@H+]([C@@H](C)c4ccccn4)C3)cc2[nH+]1 ZINC001228330533 1097098883 /nfs/dbraw/zinc/09/88/83/1097098883.db2.gz ZDIHBRJVRUMUCC-XJKSGUPXSA-N 2 2 322.412 3.481 20 0 DGADLP Cc1[nH]c2ccc(O[C@@H]3CC[N@H+]([C@@H](C)c4ccccn4)C3)cc2[nH+]1 ZINC001228330533 1097098890 /nfs/dbraw/zinc/09/88/90/1097098890.db2.gz ZDIHBRJVRUMUCC-XJKSGUPXSA-N 2 2 322.412 3.481 20 0 DGADLP CCOCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001172412448 1097132743 /nfs/dbraw/zinc/13/27/43/1097132743.db2.gz XUTHSLWKWFPIAU-MRXNPFEDSA-N 2 2 320.477 3.064 20 0 DGADLP CC(C)OCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172436934 1097153222 /nfs/dbraw/zinc/15/32/22/1097153222.db2.gz XPTJRBIMUYMTAE-MRXNPFEDSA-N 2 2 305.466 3.091 20 0 DGADLP CC(C)OCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172437016 1097153392 /nfs/dbraw/zinc/15/33/92/1097153392.db2.gz MCVHTPKSGOCVSE-BRWVUGGUSA-N 2 2 305.466 3.362 20 0 DGADLP CC(C)COCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172456562 1097159689 /nfs/dbraw/zinc/15/96/89/1097159689.db2.gz FTESANWOFNUMLQ-INIZCTEOSA-N 2 2 301.434 3.413 20 0 DGADLP Clc1ccc2c(c1)C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001172721213 1097216224 /nfs/dbraw/zinc/21/62/24/1097216224.db2.gz CZQCHFOYRDRREN-BBRMVZONSA-N 2 2 301.821 3.343 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172860170 1097265660 /nfs/dbraw/zinc/26/56/60/1097265660.db2.gz YARPTRFCPLATHG-WBMJQRKESA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172860170 1097265663 /nfs/dbraw/zinc/26/56/63/1097265663.db2.gz YARPTRFCPLATHG-WBMJQRKESA-N 2 2 310.844 3.484 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172922320 1097281872 /nfs/dbraw/zinc/28/18/72/1097281872.db2.gz HIGYRESSEZZWAM-AABGKKOBSA-N 2 2 316.489 3.241 20 0 DGADLP c1cn(C2CCC3(CCOCC3)CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001173047916 1097312342 /nfs/dbraw/zinc/31/23/42/1097312342.db2.gz JATINOOYXMUUHY-HNNXBMFYSA-N 2 2 303.450 3.262 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001173070450 1097322251 /nfs/dbraw/zinc/32/22/51/1097322251.db2.gz AIIJDKVTKFIHRC-LBPRGKRZSA-N 2 2 313.323 3.003 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001173070443 1097322666 /nfs/dbraw/zinc/32/26/66/1097322666.db2.gz AIIJDKVTKFIHRC-GFCCVEGCSA-N 2 2 313.323 3.003 20 0 DGADLP CSc1cc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc[nH+]1 ZINC001212712939 1097356379 /nfs/dbraw/zinc/35/63/79/1097356379.db2.gz LSWNAIKBNWZEII-UHFFFAOYSA-N 2 2 314.458 3.299 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001173170699 1097365976 /nfs/dbraw/zinc/36/59/76/1097365976.db2.gz HYHJQTQYWRMLOM-GZAGHFFRSA-N 2 2 320.521 3.290 20 0 DGADLP CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001173263220 1097389244 /nfs/dbraw/zinc/38/92/44/1097389244.db2.gz GYPNHMRSVCFOKJ-QFBILLFUSA-N 2 2 302.462 3.187 20 0 DGADLP CCc1ccc(C[C@H](C)[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001173242650 1097397239 /nfs/dbraw/zinc/39/72/39/1097397239.db2.gz HLYVAYMLKQAZQH-KRWDZBQOSA-N 2 2 318.505 3.223 20 0 DGADLP CCc1ccc(C[C@H](C)[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001173242650 1097397244 /nfs/dbraw/zinc/39/72/44/1097397244.db2.gz HLYVAYMLKQAZQH-KRWDZBQOSA-N 2 2 318.505 3.223 20 0 DGADLP CC[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277366 1097409888 /nfs/dbraw/zinc/40/98/88/1097409888.db2.gz KGCYWISBJJLEFW-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277366 1097409893 /nfs/dbraw/zinc/40/98/93/1097409893.db2.gz KGCYWISBJJLEFW-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277366 1097409896 /nfs/dbraw/zinc/40/98/96/1097409896.db2.gz KGCYWISBJJLEFW-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277366 1097409901 /nfs/dbraw/zinc/40/99/01/1097409901.db2.gz KGCYWISBJJLEFW-OJAHFUOMSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H]1CC[C@H](N(c2cc[nH+]c(OC)c2)C2CC[NH2+]CC2)C1 ZINC001173285484 1097413960 /nfs/dbraw/zinc/41/39/60/1097413960.db2.gz WKVJCZMCUOWIPG-ZBFHGGJFSA-N 2 2 303.450 3.227 20 0 DGADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC1C[NH+](C)C1 ZINC001173551175 1097462166 /nfs/dbraw/zinc/46/21/66/1097462166.db2.gz ODFSUWNFHJSBBQ-NSHDSACASA-N 2 2 301.261 3.466 20 0 DGADLP CC(=O)Oc1ccc(C2CCC([NH2+][C@H](C)C[NH+](C)C)CC2)cc1 ZINC001173782045 1097513211 /nfs/dbraw/zinc/51/32/11/1097513211.db2.gz VZWLGIDKCUZMLA-MXWWQKGMSA-N 2 2 318.461 3.178 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC001277545027 1097797954 /nfs/dbraw/zinc/79/79/54/1097797954.db2.gz YUJRZEREFVRZBV-GBESFXJTSA-N 2 2 318.509 3.106 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC001277545027 1097797956 /nfs/dbraw/zinc/79/79/56/1097797956.db2.gz YUJRZEREFVRZBV-GBESFXJTSA-N 2 2 318.509 3.106 20 0 DGADLP COC(C)(C)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277584287 1097887194 /nfs/dbraw/zinc/88/71/94/1097887194.db2.gz DPIYCPKBHBYXNJ-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP COC(C)(C)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277584287 1097887201 /nfs/dbraw/zinc/88/72/01/1097887201.db2.gz DPIYCPKBHBYXNJ-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP COC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277584287 1097887205 /nfs/dbraw/zinc/88/72/05/1097887205.db2.gz DPIYCPKBHBYXNJ-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP COC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277584287 1097887209 /nfs/dbraw/zinc/88/72/09/1097887209.db2.gz DPIYCPKBHBYXNJ-LJQANCHMSA-N 2 2 319.493 3.118 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4ccnc(Cl)c4c3)C[C@@H]2C1 ZINC001231980986 1097908234 /nfs/dbraw/zinc/90/82/34/1097908234.db2.gz ZWTHBSKDELHNJN-HOTGVXAUSA-N 2 2 315.848 3.272 20 0 DGADLP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232014931 1097918072 /nfs/dbraw/zinc/91/80/72/1097918072.db2.gz YSRQMBMHOMJQHW-GOSISDBHSA-N 3 2 312.461 3.403 20 0 DGADLP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001232014931 1097918077 /nfs/dbraw/zinc/91/80/77/1097918077.db2.gz YSRQMBMHOMJQHW-GOSISDBHSA-N 3 2 312.461 3.403 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccc([Si](C)(C)C)cc3)C[C@]2(C)C1 ZINC001175069514 1097918117 /nfs/dbraw/zinc/91/81/17/1097918117.db2.gz DGFDLSNVXFQXDG-OALUTQOASA-N 2 2 316.565 3.005 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](Cc3ccc([Si](C)(C)C)cc3)C[C@@]2(C)C1 ZINC001175069516 1097918514 /nfs/dbraw/zinc/91/85/14/1097918514.db2.gz DGFDLSNVXFQXDG-RTBURBONSA-N 2 2 316.565 3.005 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccc(OC(F)F)cc3)C[C@]2(C)C1 ZINC001175069097 1097922955 /nfs/dbraw/zinc/92/29/55/1097922955.db2.gz AULOJQIODGGAFX-IRXDYDNUSA-N 2 2 310.388 3.062 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001232145350 1097949195 /nfs/dbraw/zinc/94/91/95/1097949195.db2.gz QJBOMXRHKNFZTC-ZWKOTPCHSA-N 2 2 318.436 3.221 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001232145350 1097949202 /nfs/dbraw/zinc/94/92/02/1097949202.db2.gz QJBOMXRHKNFZTC-ZWKOTPCHSA-N 2 2 318.436 3.221 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001232144966 1097949619 /nfs/dbraw/zinc/94/96/19/1097949619.db2.gz PZWNMMZVRDCGHN-JKSUJKDBSA-N 2 2 300.368 3.159 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001232144966 1097949626 /nfs/dbraw/zinc/94/96/26/1097949626.db2.gz PZWNMMZVRDCGHN-JKSUJKDBSA-N 2 2 300.368 3.159 20 0 DGADLP Cn1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C2CC2)n1 ZINC001232171750 1097956843 /nfs/dbraw/zinc/95/68/43/1097956843.db2.gz JYWPVZMWKYFQHS-UHFFFAOYSA-N 2 2 321.428 3.115 20 0 DGADLP Cn1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(C2CC2)n1 ZINC001232171750 1097956851 /nfs/dbraw/zinc/95/68/51/1097956851.db2.gz JYWPVZMWKYFQHS-UHFFFAOYSA-N 2 2 321.428 3.115 20 0 DGADLP Cc1nc(N)ccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001232338917 1098008990 /nfs/dbraw/zinc/00/89/90/1098008990.db2.gz FHJVVQYCRSJXTE-UHFFFAOYSA-N 2 2 324.472 3.069 20 0 DGADLP Cc1nc(N)ccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001232338917 1098008995 /nfs/dbraw/zinc/00/89/95/1098008995.db2.gz FHJVVQYCRSJXTE-UHFFFAOYSA-N 2 2 324.472 3.069 20 0 DGADLP Cc1[nH]c(CN(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c[nH+]1 ZINC001232465123 1098046650 /nfs/dbraw/zinc/04/66/50/1098046650.db2.gz VFDURTMBTLSADO-KXBFYZLASA-N 2 2 312.461 3.061 20 0 DGADLP Cc1[nH]c(CN(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c[nH+]1 ZINC001232465123 1098046659 /nfs/dbraw/zinc/04/66/59/1098046659.db2.gz VFDURTMBTLSADO-KXBFYZLASA-N 2 2 312.461 3.061 20 0 DGADLP Cc1[nH]cc(CN(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)[nH+]1 ZINC001232465123 1098046667 /nfs/dbraw/zinc/04/66/67/1098046667.db2.gz VFDURTMBTLSADO-KXBFYZLASA-N 2 2 312.461 3.061 20 0 DGADLP Cc1[nH]cc(CN(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)[nH+]1 ZINC001232465123 1098046672 /nfs/dbraw/zinc/04/66/72/1098046672.db2.gz VFDURTMBTLSADO-KXBFYZLASA-N 2 2 312.461 3.061 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(CF)n1 ZINC001232537288 1098072275 /nfs/dbraw/zinc/07/22/75/1098072275.db2.gz FAUKLMDPZYVVDY-UHFFFAOYSA-N 2 2 310.376 3.369 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(CF)n1 ZINC001232537288 1098072280 /nfs/dbraw/zinc/07/22/80/1098072280.db2.gz FAUKLMDPZYVVDY-UHFFFAOYSA-N 2 2 310.376 3.369 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(CCO)cc2)C2CCCC2)CC1 ZINC001232780340 1098132957 /nfs/dbraw/zinc/13/29/57/1098132957.db2.gz NSOGQYZFOKEEHY-UHFFFAOYSA-N 2 2 316.489 3.060 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(CCO)cc2)C2CCCC2)CC1 ZINC001232780340 1098132959 /nfs/dbraw/zinc/13/29/59/1098132959.db2.gz NSOGQYZFOKEEHY-UHFFFAOYSA-N 2 2 316.489 3.060 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc(C)c(F)cc3F)CC2)cc[nH+]1 ZINC001232783915 1098133805 /nfs/dbraw/zinc/13/38/05/1098133805.db2.gz FOYQJLWHQLYMFB-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP COc1cc(O)cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232802449 1098141409 /nfs/dbraw/zinc/14/14/09/1098141409.db2.gz ANGLDSVXTJAJIJ-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP COc1cc(O)cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232802449 1098141411 /nfs/dbraw/zinc/14/14/11/1098141411.db2.gz ANGLDSVXTJAJIJ-QGZVFWFLSA-N 2 2 318.461 3.241 20 0 DGADLP COc1cc(O)cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001232808946 1098142474 /nfs/dbraw/zinc/14/24/74/1098142474.db2.gz KHMWMWMCAQUSEN-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP COc1cc(O)cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001232808946 1098142475 /nfs/dbraw/zinc/14/24/75/1098142475.db2.gz KHMWMWMCAQUSEN-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP COc1cc(O)cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001232808036 1098143069 /nfs/dbraw/zinc/14/30/69/1098143069.db2.gz ZCYARODXQFPMTJ-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP COc1cc(O)cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001232808036 1098143077 /nfs/dbraw/zinc/14/30/77/1098143077.db2.gz ZCYARODXQFPMTJ-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP CC(C)Oc1ncc(Cl)cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001233165986 1098241570 /nfs/dbraw/zinc/24/15/70/1098241570.db2.gz XKEBIWIQYNIVBS-UHFFFAOYSA-N 2 2 323.868 3.050 20 0 DGADLP Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)cc(C)[nH+]1 ZINC001176053962 1098251658 /nfs/dbraw/zinc/25/16/58/1098251658.db2.gz NFGPHJKGVMGWKT-UHFFFAOYSA-N 2 2 317.190 3.274 20 0 DGADLP COc1cc[nH+]cc1Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001176123752 1098266572 /nfs/dbraw/zinc/26/65/72/1098266572.db2.gz FAWVADYUTGQLHM-UHFFFAOYSA-N 2 2 313.401 3.307 20 0 DGADLP Cc1cnsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233321505 1098288568 /nfs/dbraw/zinc/28/85/68/1098288568.db2.gz RETHITOFWMMNGQ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cnsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233321505 1098288572 /nfs/dbraw/zinc/28/85/72/1098288572.db2.gz RETHITOFWMMNGQ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cnsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233321505 1098288576 /nfs/dbraw/zinc/28/85/76/1098288576.db2.gz RETHITOFWMMNGQ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cnsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233321505 1098288581 /nfs/dbraw/zinc/28/85/81/1098288581.db2.gz RETHITOFWMMNGQ-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cnsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233321504 1098288651 /nfs/dbraw/zinc/28/86/51/1098288651.db2.gz RETHITOFWMMNGQ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cnsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233321504 1098288656 /nfs/dbraw/zinc/28/86/56/1098288656.db2.gz RETHITOFWMMNGQ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cnsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233321504 1098288661 /nfs/dbraw/zinc/28/86/61/1098288661.db2.gz RETHITOFWMMNGQ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cnsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233321504 1098288664 /nfs/dbraw/zinc/28/86/64/1098288664.db2.gz RETHITOFWMMNGQ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)c(F)cc2N)CC1 ZINC001233383082 1098311229 /nfs/dbraw/zinc/31/12/29/1098311229.db2.gz VBMIAEPHGWXFJF-UHFFFAOYSA-N 2 2 311.420 3.243 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(F)cc2N)CC1 ZINC001233383082 1098311235 /nfs/dbraw/zinc/31/12/35/1098311235.db2.gz VBMIAEPHGWXFJF-UHFFFAOYSA-N 2 2 311.420 3.243 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC001176992014 1098461094 /nfs/dbraw/zinc/46/10/94/1098461094.db2.gz WILNIPTYDRWTNH-MRXNPFEDSA-N 2 2 315.465 3.104 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC001176992014 1098461096 /nfs/dbraw/zinc/46/10/96/1098461096.db2.gz WILNIPTYDRWTNH-MRXNPFEDSA-N 2 2 315.465 3.104 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001177061792 1098469541 /nfs/dbraw/zinc/46/95/41/1098469541.db2.gz VMHIVHDIMDGSIE-IBGZPJMESA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001177061792 1098469542 /nfs/dbraw/zinc/46/95/42/1098469542.db2.gz VMHIVHDIMDGSIE-IBGZPJMESA-N 2 2 304.478 3.256 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC001177231200 1098498431 /nfs/dbraw/zinc/49/84/31/1098498431.db2.gz FOACXBSQKQUELT-SNVBAGLBSA-N 2 2 314.216 3.377 20 0 DGADLP Cc1[nH]c(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c(C)[nH+]1 ZINC001234654962 1098633412 /nfs/dbraw/zinc/63/34/12/1098633412.db2.gz MNFWBOYSROWKOZ-HXUWFJFHSA-N 2 2 324.472 3.222 20 0 DGADLP COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2[nH]c(C)[nH+]c2C)cc1 ZINC001234662419 1098636597 /nfs/dbraw/zinc/63/65/97/1098636597.db2.gz KQYMIXBEZMZKOQ-QGZVFWFLSA-N 2 2 313.401 3.150 20 0 DGADLP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2[nH]c(C)[nH+]c2C)cc1 ZINC001234662419 1098636604 /nfs/dbraw/zinc/63/66/04/1098636604.db2.gz KQYMIXBEZMZKOQ-QGZVFWFLSA-N 2 2 313.401 3.150 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC001234663303 1098638138 /nfs/dbraw/zinc/63/81/38/1098638138.db2.gz ZAGHSOUDTAUKJZ-HUUCEWRRSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC001234663303 1098638146 /nfs/dbraw/zinc/63/81/46/1098638146.db2.gz ZAGHSOUDTAUKJZ-HUUCEWRRSA-N 2 2 312.461 3.121 20 0 DGADLP O=C1c2ccccc2[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]12 ZINC001234980085 1098733340 /nfs/dbraw/zinc/73/33/40/1098733340.db2.gz HQYCSMAZUURWMU-OALUTQOASA-N 2 2 312.457 3.211 20 0 DGADLP O=C1c2ccccc2[C@@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]12 ZINC001234980085 1098733348 /nfs/dbraw/zinc/73/33/48/1098733348.db2.gz HQYCSMAZUURWMU-OALUTQOASA-N 2 2 312.457 3.211 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993473 1098739315 /nfs/dbraw/zinc/73/93/15/1098739315.db2.gz PTPXUZBAIGOULM-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234993473 1098739325 /nfs/dbraw/zinc/73/93/25/1098739325.db2.gz PTPXUZBAIGOULM-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235002835 1098745422 /nfs/dbraw/zinc/74/54/22/1098745422.db2.gz XUWPLLXLPWGOLW-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235002835 1098745429 /nfs/dbraw/zinc/74/54/29/1098745429.db2.gz XUWPLLXLPWGOLW-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP c1cc2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001235023286 1098755744 /nfs/dbraw/zinc/75/57/44/1098755744.db2.gz UNEZPQCNGCYOCI-GOSISDBHSA-N 2 2 316.470 3.103 20 0 DGADLP c1cc2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001235023286 1098755753 /nfs/dbraw/zinc/75/57/53/1098755753.db2.gz UNEZPQCNGCYOCI-GOSISDBHSA-N 2 2 316.470 3.103 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038648 1098765998 /nfs/dbraw/zinc/76/59/98/1098765998.db2.gz PFTJHPRRQTZBSK-GOSISDBHSA-N 2 2 306.425 3.251 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038648 1098766010 /nfs/dbraw/zinc/76/60/10/1098766010.db2.gz PFTJHPRRQTZBSK-GOSISDBHSA-N 2 2 306.425 3.251 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040554 1098766597 /nfs/dbraw/zinc/76/65/97/1098766597.db2.gz TTWTULXUHFXXBW-IBGZPJMESA-N 2 2 317.477 3.285 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040554 1098766608 /nfs/dbraw/zinc/76/66/08/1098766608.db2.gz TTWTULXUHFXXBW-IBGZPJMESA-N 2 2 317.477 3.285 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919890 1098778825 /nfs/dbraw/zinc/77/88/25/1098778825.db2.gz QILYLHFTFCKMHK-IBGZPJMESA-N 2 2 318.436 3.206 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919890 1098778835 /nfs/dbraw/zinc/77/88/35/1098778835.db2.gz QILYLHFTFCKMHK-IBGZPJMESA-N 2 2 318.436 3.206 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919890 1098778845 /nfs/dbraw/zinc/77/88/45/1098778845.db2.gz QILYLHFTFCKMHK-IBGZPJMESA-N 2 2 318.436 3.206 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC001277919890 1098778861 /nfs/dbraw/zinc/77/88/61/1098778861.db2.gz QILYLHFTFCKMHK-IBGZPJMESA-N 2 2 318.436 3.206 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1Cl ZINC001235093011 1098795382 /nfs/dbraw/zinc/79/53/82/1098795382.db2.gz YDPWUXDLXVDSKL-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1Cl ZINC001235093011 1098795391 /nfs/dbraw/zinc/79/53/91/1098795391.db2.gz YDPWUXDLXVDSKL-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235119902 1098820864 /nfs/dbraw/zinc/82/08/64/1098820864.db2.gz RLOXLDIRYQONDQ-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235119902 1098820883 /nfs/dbraw/zinc/82/08/83/1098820883.db2.gz RLOXLDIRYQONDQ-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP C[C@H](C[N@@H+]1CCOCC12CC[NH2+]CC2)c1cccc2ccccc21 ZINC001235128613 1098827248 /nfs/dbraw/zinc/82/72/48/1098827248.db2.gz IZDVEDKFIOCBMX-QGZVFWFLSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@H](C[N@H+]1CCOCC12CC[NH2+]CC2)c1cccc2ccccc21 ZINC001235128613 1098827257 /nfs/dbraw/zinc/82/72/57/1098827257.db2.gz IZDVEDKFIOCBMX-QGZVFWFLSA-N 2 2 324.468 3.398 20 0 DGADLP COc1ccc2[nH]cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235168302 1098850226 /nfs/dbraw/zinc/85/02/26/1098850226.db2.gz QMYGZNCLSIQUPK-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP COc1ccc2[nH]cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235168302 1098850238 /nfs/dbraw/zinc/85/02/38/1098850238.db2.gz QMYGZNCLSIQUPK-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170273 1098852524 /nfs/dbraw/zinc/85/25/24/1098852524.db2.gz DKUBKTAOTLUWAM-KRWDZBQOSA-N 2 2 310.388 3.396 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170273 1098852530 /nfs/dbraw/zinc/85/25/30/1098852530.db2.gz DKUBKTAOTLUWAM-KRWDZBQOSA-N 2 2 310.388 3.396 20 0 DGADLP c1cc(-c2cccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2)n[nH]1 ZINC001235178108 1098859051 /nfs/dbraw/zinc/85/90/51/1098859051.db2.gz VAZQPCINKUIUQQ-IBGZPJMESA-N 2 2 310.445 3.185 20 0 DGADLP c1cc(-c2cccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2)n[nH]1 ZINC001235178108 1098859057 /nfs/dbraw/zinc/85/90/57/1098859057.db2.gz VAZQPCINKUIUQQ-IBGZPJMESA-N 2 2 310.445 3.185 20 0 DGADLP CCCc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)s1 ZINC001235224907 1098895353 /nfs/dbraw/zinc/89/53/53/1098895353.db2.gz PETSQMZNMQIVLA-FZMZJTMJSA-N 2 2 318.408 3.284 20 0 DGADLP CCCc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)s1 ZINC001235224907 1098895364 /nfs/dbraw/zinc/89/53/64/1098895364.db2.gz PETSQMZNMQIVLA-FZMZJTMJSA-N 2 2 318.408 3.284 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235226037 1098897575 /nfs/dbraw/zinc/89/75/75/1098897575.db2.gz XFDQCSFQQMLKBI-HOTGVXAUSA-N 2 2 312.379 3.394 20 0 DGADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235226037 1098897583 /nfs/dbraw/zinc/89/75/83/1098897583.db2.gz XFDQCSFQQMLKBI-HOTGVXAUSA-N 2 2 312.379 3.394 20 0 DGADLP Fc1nccc(Cl)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235239254 1098912092 /nfs/dbraw/zinc/91/20/92/1098912092.db2.gz JJYQEUPVXTYNOW-OAHLLOKOSA-N 2 2 311.832 3.228 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccn1-c1ccc(Cl)cc1)C2 ZINC001235244770 1098918680 /nfs/dbraw/zinc/91/86/80/1098918680.db2.gz JOWPBMYKEJGJSU-RDTXWAMCSA-N 2 2 315.848 3.444 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccn1-c1ccc(Cl)cc1)C2 ZINC001235244770 1098918689 /nfs/dbraw/zinc/91/86/89/1098918689.db2.gz JOWPBMYKEJGJSU-RDTXWAMCSA-N 2 2 315.848 3.444 20 0 DGADLP c1ccc(OCc2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235255212 1098926430 /nfs/dbraw/zinc/92/64/30/1098926430.db2.gz DCGDUTFNEPQQCV-UYAOXDASSA-N 2 2 308.425 3.059 20 0 DGADLP c1ccc(OCc2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235255212 1098926434 /nfs/dbraw/zinc/92/64/34/1098926434.db2.gz DCGDUTFNEPQQCV-UYAOXDASSA-N 2 2 308.425 3.059 20 0 DGADLP Brc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235254622 1098927254 /nfs/dbraw/zinc/92/72/54/1098927254.db2.gz KIQXQBHAQLKIHO-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235254622 1098927262 /nfs/dbraw/zinc/92/72/62/1098927262.db2.gz KIQXQBHAQLKIHO-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP Clc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)nc1 ZINC001235255486 1098927605 /nfs/dbraw/zinc/92/76/05/1098927605.db2.gz IVBYKTOCSGWTOM-YJBOKZPZSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)nc1 ZINC001235255486 1098927616 /nfs/dbraw/zinc/92/76/16/1098927616.db2.gz IVBYKTOCSGWTOM-YJBOKZPZSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC001235259271 1098930942 /nfs/dbraw/zinc/93/09/42/1098930942.db2.gz UVNKFZDPMSMTFF-CRAIPNDOSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)nc1 ZINC001235259271 1098930951 /nfs/dbraw/zinc/93/09/51/1098930951.db2.gz UVNKFZDPMSMTFF-CRAIPNDOSA-N 2 2 313.832 3.196 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235264424 1098935711 /nfs/dbraw/zinc/93/57/11/1098935711.db2.gz XSGDMFGJCYSQTK-LPHOPBHVSA-N 2 2 310.441 3.421 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235264424 1098935716 /nfs/dbraw/zinc/93/57/16/1098935716.db2.gz XSGDMFGJCYSQTK-LPHOPBHVSA-N 2 2 310.441 3.421 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235270839 1098939580 /nfs/dbraw/zinc/93/95/80/1098939580.db2.gz NMOGZJDXHZSBHX-CJNGLKHVSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235270839 1098939587 /nfs/dbraw/zinc/93/95/87/1098939587.db2.gz NMOGZJDXHZSBHX-CJNGLKHVSA-N 2 2 323.278 3.250 20 0 DGADLP Fc1cc(Cl)cc(F)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335437 1098960721 /nfs/dbraw/zinc/96/07/21/1098960721.db2.gz NSMKDSUFDVCPTL-UHFFFAOYSA-N 2 2 300.780 3.050 20 0 DGADLP C[N@H+](Cc1c[nH]c2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC001235347501 1098971001 /nfs/dbraw/zinc/97/10/01/1098971001.db2.gz PFCWZLHMSZERCW-GFCCVEGCSA-N 2 2 322.250 3.114 20 0 DGADLP C[N@@H+](Cc1c[nH]c2c1cccc2Br)[C@@H]1CCC[NH2+]C1 ZINC001235347501 1098971008 /nfs/dbraw/zinc/97/10/08/1098971008.db2.gz PFCWZLHMSZERCW-GFCCVEGCSA-N 2 2 322.250 3.114 20 0 DGADLP Fc1ccc(CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235400382 1098995448 /nfs/dbraw/zinc/99/54/48/1098995448.db2.gz CNQXAVWHAYWVHB-CVEARBPZSA-N 2 2 314.807 3.045 20 0 DGADLP Fc1ccc(CC[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235400382 1098995454 /nfs/dbraw/zinc/99/54/54/1098995454.db2.gz CNQXAVWHAYWVHB-CVEARBPZSA-N 2 2 314.807 3.045 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc(C)c1Cl ZINC001235401777 1098996871 /nfs/dbraw/zinc/99/68/71/1098996871.db2.gz TURBQQVLYRPSEA-RDJZCZTQSA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc(C)c1Cl ZINC001235401777 1098996879 /nfs/dbraw/zinc/99/68/79/1098996879.db2.gz TURBQQVLYRPSEA-RDJZCZTQSA-N 2 2 310.844 3.480 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001179044333 1099000001 /nfs/dbraw/zinc/00/00/01/1099000001.db2.gz AZQCCQVPLHUTQC-MSOLQXFVSA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001179044333 1099000010 /nfs/dbraw/zinc/00/00/10/1099000010.db2.gz AZQCCQVPLHUTQC-MSOLQXFVSA-N 2 2 306.425 3.331 20 0 DGADLP Fc1ccc2occ(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)c2c1 ZINC001235409315 1099006613 /nfs/dbraw/zinc/00/66/13/1099006613.db2.gz WHUPYXJHNGIPAM-DLBZAZTESA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occ(C[N@@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)c2c1 ZINC001235409315 1099006625 /nfs/dbraw/zinc/00/66/25/1099006625.db2.gz WHUPYXJHNGIPAM-DLBZAZTESA-N 2 2 306.356 3.095 20 0 DGADLP CCc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235409263 1099006688 /nfs/dbraw/zinc/00/66/88/1099006688.db2.gz VUFBSAGMHZFLSM-SJORKVTESA-N 2 2 310.844 3.426 20 0 DGADLP CCc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235409263 1099006699 /nfs/dbraw/zinc/00/66/99/1099006699.db2.gz VUFBSAGMHZFLSM-SJORKVTESA-N 2 2 310.844 3.426 20 0 DGADLP CCc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235409260 1099007280 /nfs/dbraw/zinc/00/72/80/1099007280.db2.gz VUFBSAGMHZFLSM-IAGOWNOFSA-N 2 2 310.844 3.426 20 0 DGADLP CCc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235409260 1099007293 /nfs/dbraw/zinc/00/72/93/1099007293.db2.gz VUFBSAGMHZFLSM-IAGOWNOFSA-N 2 2 310.844 3.426 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cncc(OC)c2C)CC1 ZINC001235474984 1099058064 /nfs/dbraw/zinc/05/80/64/1099058064.db2.gz YGBACHKGQRFBND-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cncc(OC)c2C)CC1 ZINC001235474984 1099058077 /nfs/dbraw/zinc/05/80/77/1099058077.db2.gz YGBACHKGQRFBND-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2O1 ZINC001179314798 1099067551 /nfs/dbraw/zinc/06/75/51/1099067551.db2.gz DYEDCPLTBGEVPV-AWEZNQCLSA-N 2 2 324.371 3.115 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2O1 ZINC001179314798 1099067564 /nfs/dbraw/zinc/06/75/64/1099067564.db2.gz DYEDCPLTBGEVPV-AWEZNQCLSA-N 2 2 324.371 3.115 20 0 DGADLP CC[C@@H]([NH3+])C[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001235670504 1099114736 /nfs/dbraw/zinc/11/47/36/1099114736.db2.gz TVVUTKZKFVOMEG-GFCCVEGCSA-N 2 2 300.805 3.060 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708969 1099139765 /nfs/dbraw/zinc/13/97/65/1099139765.db2.gz DAUNSULHXDSNFR-KBPBESRZSA-N 2 2 317.260 3.322 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001235708969 1099139770 /nfs/dbraw/zinc/13/97/70/1099139770.db2.gz DAUNSULHXDSNFR-KBPBESRZSA-N 2 2 317.260 3.322 20 0 DGADLP CCc1[nH]c(CN2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC001235788176 1099178561 /nfs/dbraw/zinc/17/85/61/1099178561.db2.gz IPRBWMOTSNXGBG-MRXNPFEDSA-N 2 2 318.852 3.080 20 0 DGADLP COCCC[N@H+](Cc1ccc2ccsc2c1)[C@H]1CCC[NH2+]C1 ZINC001235806264 1099187383 /nfs/dbraw/zinc/18/73/83/1099187383.db2.gz MQHKSVPIXDJXCE-KRWDZBQOSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@@H+](Cc1ccc2ccsc2c1)[C@H]1CCC[NH2+]C1 ZINC001235806264 1099187386 /nfs/dbraw/zinc/18/73/86/1099187386.db2.gz MQHKSVPIXDJXCE-KRWDZBQOSA-N 2 2 318.486 3.492 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CCCC[N@@H+]2C)c1C ZINC001179734067 1099188041 /nfs/dbraw/zinc/18/80/41/1099188041.db2.gz ORLGVUWGGLONRS-QGZVFWFLSA-N 2 2 304.478 3.332 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CCCC[N@H+]2C)c1C ZINC001179734067 1099188044 /nfs/dbraw/zinc/18/80/44/1099188044.db2.gz ORLGVUWGGLONRS-QGZVFWFLSA-N 2 2 304.478 3.332 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2cc(C)ccc12)[C@H]1CCC[NH2+]C1 ZINC001235809152 1099188663 /nfs/dbraw/zinc/18/86/63/1099188663.db2.gz XLQYJOKTXKLRSO-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2cc(C)ccc12)[C@H]1CCC[NH2+]C1 ZINC001235809152 1099188670 /nfs/dbraw/zinc/18/86/70/1099188670.db2.gz XLQYJOKTXKLRSO-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2cccc(C)c12)[C@H]1CCC[NH2+]C1 ZINC001235808529 1099189002 /nfs/dbraw/zinc/18/90/02/1099189002.db2.gz USFQUACBRIVFGY-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2cccc(C)c12)[C@H]1CCC[NH2+]C1 ZINC001235808529 1099189006 /nfs/dbraw/zinc/18/90/06/1099189006.db2.gz USFQUACBRIVFGY-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@H+](Cc1cc(C)cc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001235808173 1099189796 /nfs/dbraw/zinc/18/97/96/1099189796.db2.gz XXOHVCOYLCFJKA-KRWDZBQOSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)cc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001235808173 1099189798 /nfs/dbraw/zinc/18/97/98/1099189798.db2.gz XXOHVCOYLCFJKA-KRWDZBQOSA-N 2 2 310.869 3.239 20 0 DGADLP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235814861 1099192521 /nfs/dbraw/zinc/19/25/21/1099192521.db2.gz JESZYUSDURAQIV-KRWDZBQOSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1nc(F)ccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235814861 1099192525 /nfs/dbraw/zinc/19/25/25/1099192525.db2.gz JESZYUSDURAQIV-KRWDZBQOSA-N 2 2 305.441 3.370 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235841289 1099204304 /nfs/dbraw/zinc/20/43/04/1099204304.db2.gz DBNUUISCHOHRPQ-SNVBAGLBSA-N 2 2 317.658 3.144 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235841289 1099204310 /nfs/dbraw/zinc/20/43/10/1099204310.db2.gz DBNUUISCHOHRPQ-SNVBAGLBSA-N 2 2 317.658 3.144 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235841675 1099204373 /nfs/dbraw/zinc/20/43/73/1099204373.db2.gz HGUDKJBTZPUFPQ-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235841675 1099204382 /nfs/dbraw/zinc/20/43/82/1099204382.db2.gz HGUDKJBTZPUFPQ-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c2c(OC)cccc12 ZINC001235902942 1099245550 /nfs/dbraw/zinc/24/55/50/1099245550.db2.gz HAZUZIBQIBDSIK-UKRRQHHQSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c2c(OC)cccc12 ZINC001235902942 1099245554 /nfs/dbraw/zinc/24/55/54/1099245554.db2.gz HAZUZIBQIBDSIK-UKRRQHHQSA-N 2 2 314.429 3.169 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cc(O)cc(Cl)c2)C1 ZINC001235904743 1099247365 /nfs/dbraw/zinc/24/73/65/1099247365.db2.gz PONHBHLGFBMJRR-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cc(O)cc(Cl)c2)C1 ZINC001235904743 1099247372 /nfs/dbraw/zinc/24/73/72/1099247372.db2.gz PONHBHLGFBMJRR-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907932 1099250594 /nfs/dbraw/zinc/25/05/94/1099250594.db2.gz VBTFJZFWOMJMQA-GXFFZTMASA-N 2 2 322.250 3.242 20 0 DGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907932 1099250601 /nfs/dbraw/zinc/25/06/01/1099250601.db2.gz VBTFJZFWOMJMQA-GXFFZTMASA-N 2 2 322.250 3.242 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235907731 1099251113 /nfs/dbraw/zinc/25/11/13/1099251113.db2.gz STHGYTFMNGSMRI-AAEUAGOBSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235907731 1099251121 /nfs/dbraw/zinc/25/11/21/1099251121.db2.gz STHGYTFMNGSMRI-AAEUAGOBSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CC[NH3+])cs2)cc1 ZINC001235925110 1099261883 /nfs/dbraw/zinc/26/18/83/1099261883.db2.gz ATHNOSLGCSVKSL-INIZCTEOSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3CC[NH3+])cs2)cc1 ZINC001235925110 1099261889 /nfs/dbraw/zinc/26/18/89/1099261889.db2.gz ATHNOSLGCSVKSL-INIZCTEOSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235925329 1099262147 /nfs/dbraw/zinc/26/21/47/1099262147.db2.gz HXQRLGNAXJOLAB-ZDUSSCGKSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235925329 1099262154 /nfs/dbraw/zinc/26/21/54/1099262154.db2.gz HXQRLGNAXJOLAB-ZDUSSCGKSA-N 2 2 315.230 3.210 20 0 DGADLP CCOc1cc(Br)cc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC001235946787 1099278626 /nfs/dbraw/zinc/27/86/26/1099278626.db2.gz AUHHCMCSYDPZNU-UHFFFAOYSA-N 2 2 315.255 3.017 20 0 DGADLP CCOc1cc(Br)cc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC001235946787 1099278633 /nfs/dbraw/zinc/27/86/33/1099278633.db2.gz AUHHCMCSYDPZNU-UHFFFAOYSA-N 2 2 315.255 3.017 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c(F)ccc(N)c1F ZINC001235972951 1099300567 /nfs/dbraw/zinc/30/05/67/1099300567.db2.gz IZSZRUKCEITMCJ-KBPBESRZSA-N 2 2 323.431 3.386 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c(F)ccc(N)c1F ZINC001235972951 1099300579 /nfs/dbraw/zinc/30/05/79/1099300579.db2.gz IZSZRUKCEITMCJ-KBPBESRZSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(N)c1F ZINC001235972951 1099300589 /nfs/dbraw/zinc/30/05/89/1099300589.db2.gz IZSZRUKCEITMCJ-KBPBESRZSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(N)c1F ZINC001235972951 1099300596 /nfs/dbraw/zinc/30/05/96/1099300596.db2.gz IZSZRUKCEITMCJ-KBPBESRZSA-N 2 2 323.431 3.386 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)s2)cc1 ZINC001235997834 1099319540 /nfs/dbraw/zinc/31/95/40/1099319540.db2.gz WZQHKHUDTIANPD-KDOFPFPSSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)s2)cc1 ZINC001235997834 1099319553 /nfs/dbraw/zinc/31/95/53/1099319553.db2.gz WZQHKHUDTIANPD-KDOFPFPSSA-N 2 2 314.454 3.347 20 0 DGADLP CC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCC[NH2+]C1 ZINC001236005849 1099326404 /nfs/dbraw/zinc/32/64/04/1099326404.db2.gz FVMQJWYDFQWZMA-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP CC[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCC[NH2+]C1 ZINC001236005849 1099326412 /nfs/dbraw/zinc/32/64/12/1099326412.db2.gz FVMQJWYDFQWZMA-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](CC)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236006987 1099329026 /nfs/dbraw/zinc/32/90/26/1099329026.db2.gz LUPXYJLDXWTGNU-OAHLLOKOSA-N 2 2 301.434 3.141 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](CC)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236006987 1099329037 /nfs/dbraw/zinc/32/90/37/1099329037.db2.gz LUPXYJLDXWTGNU-OAHLLOKOSA-N 2 2 301.434 3.141 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236009049 1099330026 /nfs/dbraw/zinc/33/00/26/1099330026.db2.gz KQKZOXQBMALIRU-QGZVFWFLSA-N 2 2 313.420 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236009049 1099330039 /nfs/dbraw/zinc/33/00/39/1099330039.db2.gz KQKZOXQBMALIRU-QGZVFWFLSA-N 2 2 313.420 3.462 20 0 DGADLP CC[N@H+](Cc1cc2cc(OC)ccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001236008155 1099330361 /nfs/dbraw/zinc/33/03/61/1099330361.db2.gz DWNKLWNOADKOAP-CQSZACIVSA-N 2 2 304.459 3.484 20 0 DGADLP CC[N@@H+](Cc1cc2cc(OC)ccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001236008155 1099330373 /nfs/dbraw/zinc/33/03/73/1099330373.db2.gz DWNKLWNOADKOAP-CQSZACIVSA-N 2 2 304.459 3.484 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001236065602 1099363943 /nfs/dbraw/zinc/36/39/43/1099363943.db2.gz BUQSRODGTLBWOW-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001236065602 1099363956 /nfs/dbraw/zinc/36/39/56/1099363956.db2.gz BUQSRODGTLBWOW-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001236065689 1099364862 /nfs/dbraw/zinc/36/48/62/1099364862.db2.gz CNIQBGMYEONSJR-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001236065689 1099364872 /nfs/dbraw/zinc/36/48/72/1099364872.db2.gz CNIQBGMYEONSJR-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP CCc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH2+]C)C3)c(Cl)nc21 ZINC001236067643 1099366147 /nfs/dbraw/zinc/36/61/47/1099366147.db2.gz RMEGDJXCUVVVAG-ZDUSSCGKSA-N 2 2 317.864 3.492 20 0 DGADLP CCc1cccc2cc(C[N@H+]3CC[C@@H](C[NH2+]C)C3)c(Cl)nc21 ZINC001236067643 1099366160 /nfs/dbraw/zinc/36/61/60/1099366160.db2.gz RMEGDJXCUVVVAG-ZDUSSCGKSA-N 2 2 317.864 3.492 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001236066059 1099366366 /nfs/dbraw/zinc/36/63/66/1099366366.db2.gz DQOIKBZUROGWQZ-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001236066059 1099366377 /nfs/dbraw/zinc/36/63/77/1099366377.db2.gz DQOIKBZUROGWQZ-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc3cc(Br)ccc3c2)C[C@@H]1[NH3+] ZINC001236093923 1099383530 /nfs/dbraw/zinc/38/35/30/1099383530.db2.gz PJGOKBKNYOQZKA-BZNIZROVSA-N 2 2 319.246 3.381 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc3cc(Br)ccc3c2)C[C@@H]1[NH3+] ZINC001236093923 1099383541 /nfs/dbraw/zinc/38/35/41/1099383541.db2.gz PJGOKBKNYOQZKA-BZNIZROVSA-N 2 2 319.246 3.381 20 0 DGADLP C[N@H+](CCC(c1ccccc1)c1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC001236093164 1099383637 /nfs/dbraw/zinc/38/36/37/1099383637.db2.gz ROVVUVHYZAIEFX-HXUWFJFHSA-N 2 2 324.468 3.129 20 0 DGADLP C[N@@H+](CCC(c1ccccc1)c1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC001236093164 1099383647 /nfs/dbraw/zinc/38/36/47/1099383647.db2.gz ROVVUVHYZAIEFX-HXUWFJFHSA-N 2 2 324.468 3.129 20 0 DGADLP CC(C)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@H]1CCC[NH2+]1 ZINC001236102798 1099390670 /nfs/dbraw/zinc/39/06/70/1099390670.db2.gz SBZBCKYPFXAWQF-WOJBJXKFSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@H]1CCC[NH2+]1 ZINC001236102798 1099390681 /nfs/dbraw/zinc/39/06/81/1099390681.db2.gz SBZBCKYPFXAWQF-WOJBJXKFSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)Oc1ncccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236105689 1099394365 /nfs/dbraw/zinc/39/43/65/1099394365.db2.gz JECPUIVSWYORFP-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ncccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236105689 1099394377 /nfs/dbraw/zinc/39/43/77/1099394377.db2.gz JECPUIVSWYORFP-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236110116 1099398767 /nfs/dbraw/zinc/39/87/67/1099398767.db2.gz YTYGWMDTUQGJEW-ZFWWWQNUSA-N 2 2 306.475 3.270 20 0 DGADLP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236110116 1099398778 /nfs/dbraw/zinc/39/87/78/1099398778.db2.gz YTYGWMDTUQGJEW-ZFWWWQNUSA-N 2 2 306.475 3.270 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+](C)C[C@@H]3CCC[NH2+]3)c2c1 ZINC001236123916 1099410991 /nfs/dbraw/zinc/41/09/91/1099410991.db2.gz HXCHPKRENTUURR-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+](C)C[C@@H]3CCC[NH2+]3)c2c1 ZINC001236123916 1099410996 /nfs/dbraw/zinc/41/09/96/1099410996.db2.gz HXCHPKRENTUURR-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP CCC[N@H+](Cc1ccc(Cl)c(OC)c1F)C1CC[NH2+]CC1 ZINC001236183161 1099453363 /nfs/dbraw/zinc/45/33/63/1099453363.db2.gz WDKUOUPDEGYYPH-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP CCC[N@@H+](Cc1ccc(Cl)c(OC)c1F)C1CC[NH2+]CC1 ZINC001236183161 1099453366 /nfs/dbraw/zinc/45/33/66/1099453366.db2.gz WDKUOUPDEGYYPH-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP C[N@H+](Cc1ccc(Oc2cccnc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206098 1099462877 /nfs/dbraw/zinc/46/28/77/1099462877.db2.gz INNSXFJCMRBWIZ-IBGZPJMESA-N 2 2 311.429 3.448 20 0 DGADLP C[N@@H+](Cc1ccc(Oc2cccnc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206098 1099462885 /nfs/dbraw/zinc/46/28/85/1099462885.db2.gz INNSXFJCMRBWIZ-IBGZPJMESA-N 2 2 311.429 3.448 20 0 DGADLP C[N@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215819 1099472658 /nfs/dbraw/zinc/47/26/58/1099472658.db2.gz YFGDCIZBARVURW-UONOGXRCSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215819 1099472663 /nfs/dbraw/zinc/47/26/63/1099472663.db2.gz YFGDCIZBARVURW-UONOGXRCSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218797 1099475658 /nfs/dbraw/zinc/47/56/58/1099475658.db2.gz UCXDUMQVJZMCKH-CHWSQXEVSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218797 1099475664 /nfs/dbraw/zinc/47/56/64/1099475664.db2.gz UCXDUMQVJZMCKH-CHWSQXEVSA-N 2 2 302.340 3.113 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236252289 1099502036 /nfs/dbraw/zinc/50/20/36/1099502036.db2.gz GUTHDDFVZQLUSZ-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236252289 1099502050 /nfs/dbraw/zinc/50/20/50/1099502050.db2.gz GUTHDDFVZQLUSZ-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCC[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236324650 1099538822 /nfs/dbraw/zinc/53/88/22/1099538822.db2.gz UAGKTCKEQSRHBD-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236324650 1099538814 /nfs/dbraw/zinc/53/88/14/1099538814.db2.gz UAGKTCKEQSRHBD-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1cccc(C)c1Br)C[C@@H]1CC[NH2+]C1 ZINC001236408476 1099575981 /nfs/dbraw/zinc/57/59/81/1099575981.db2.gz NAJURGJXQHITQC-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1cccc(C)c1Br)C[C@@H]1CC[NH2+]C1 ZINC001236408476 1099575986 /nfs/dbraw/zinc/57/59/86/1099575986.db2.gz NAJURGJXQHITQC-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419399 1099593680 /nfs/dbraw/zinc/59/36/80/1099593680.db2.gz ILXMRXZOYYFCPJ-HZMBPMFUSA-N 2 2 322.250 3.242 20 0 DGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419399 1099593692 /nfs/dbraw/zinc/59/36/92/1099593692.db2.gz ILXMRXZOYYFCPJ-HZMBPMFUSA-N 2 2 322.250 3.242 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236433152 1099608994 /nfs/dbraw/zinc/60/89/94/1099608994.db2.gz CTARNTBCNOJMFE-GOSISDBHSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236433152 1099609000 /nfs/dbraw/zinc/60/90/00/1099609000.db2.gz CTARNTBCNOJMFE-GOSISDBHSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236433153 1099609352 /nfs/dbraw/zinc/60/93/52/1099609352.db2.gz CTARNTBCNOJMFE-SFHVURJKSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236433153 1099609354 /nfs/dbraw/zinc/60/93/54/1099609354.db2.gz CTARNTBCNOJMFE-SFHVURJKSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236435080 1099610349 /nfs/dbraw/zinc/61/03/49/1099610349.db2.gz RJEVMAWAKPHQBU-GOSISDBHSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236435080 1099610359 /nfs/dbraw/zinc/61/03/59/1099610359.db2.gz RJEVMAWAKPHQBU-GOSISDBHSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001236436414 1099612469 /nfs/dbraw/zinc/61/24/69/1099612469.db2.gz XOLVPHLWBLZWMV-HXUWFJFHSA-N 2 2 312.432 3.345 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001236436414 1099612473 /nfs/dbraw/zinc/61/24/73/1099612473.db2.gz XOLVPHLWBLZWMV-HXUWFJFHSA-N 2 2 312.432 3.345 20 0 DGADLP CC(C)[N@H+](Cc1ccnc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236470729 1099630411 /nfs/dbraw/zinc/63/04/11/1099630411.db2.gz NJBBQHAITYDHHO-OAHLLOKOSA-N 2 2 301.409 3.336 20 0 DGADLP CC(C)[N@@H+](Cc1ccnc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236470729 1099630413 /nfs/dbraw/zinc/63/04/13/1099630413.db2.gz NJBBQHAITYDHHO-OAHLLOKOSA-N 2 2 301.409 3.336 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)c1 ZINC001236530226 1099664762 /nfs/dbraw/zinc/66/47/62/1099664762.db2.gz RJKXQFJDLYIWKX-HNNXBMFYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)c1 ZINC001236530226 1099664765 /nfs/dbraw/zinc/66/47/65/1099664765.db2.gz RJKXQFJDLYIWKX-HNNXBMFYSA-N 2 2 311.267 3.330 20 0 DGADLP CCOc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC001236602644 1099697763 /nfs/dbraw/zinc/69/77/63/1099697763.db2.gz YNWOYLJIWVJNCG-AWEZNQCLSA-N 2 2 306.425 3.188 20 0 DGADLP CCOc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC001236602644 1099697765 /nfs/dbraw/zinc/69/77/65/1099697765.db2.gz YNWOYLJIWVJNCG-AWEZNQCLSA-N 2 2 306.425 3.188 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236606865 1099701022 /nfs/dbraw/zinc/70/10/22/1099701022.db2.gz WZGHUFMBBKKBMR-WMZOPIPTSA-N 2 2 320.502 3.317 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236606865 1099701024 /nfs/dbraw/zinc/70/10/24/1099701024.db2.gz WZGHUFMBBKKBMR-WMZOPIPTSA-N 2 2 320.502 3.317 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(C)cc1Br ZINC001236616386 1099706650 /nfs/dbraw/zinc/70/66/50/1099706650.db2.gz MSLHEDCXZJZVAH-OAHLLOKOSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)cc1Br ZINC001236616386 1099706658 /nfs/dbraw/zinc/70/66/58/1099706658.db2.gz MSLHEDCXZJZVAH-OAHLLOKOSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cccn2c(CN([C@H]3CC[NH2+]C3)C3CCCCC3)c[nH+]c12 ZINC001236650771 1099721349 /nfs/dbraw/zinc/72/13/49/1099721349.db2.gz FEORFDMLAJVUJE-KRWDZBQOSA-N 2 2 312.461 3.139 20 0 DGADLP COc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649018 1099721629 /nfs/dbraw/zinc/72/16/29/1099721629.db2.gz VDYPXUZADNOULR-MRXNPFEDSA-N 2 2 306.425 3.331 20 0 DGADLP COc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649018 1099721636 /nfs/dbraw/zinc/72/16/36/1099721636.db2.gz VDYPXUZADNOULR-MRXNPFEDSA-N 2 2 306.425 3.331 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)c(O)c1 ZINC001236708297 1099752607 /nfs/dbraw/zinc/75/26/07/1099752607.db2.gz QMPOQZSXWWJPTG-UHFFFAOYSA-N 2 2 311.360 3.349 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)c(O)c1 ZINC001236708297 1099752611 /nfs/dbraw/zinc/75/26/11/1099752611.db2.gz QMPOQZSXWWJPTG-UHFFFAOYSA-N 2 2 311.360 3.349 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1O ZINC001236902850 1099866689 /nfs/dbraw/zinc/86/66/89/1099866689.db2.gz JOHNAQASBNIODF-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1O ZINC001236902850 1099866694 /nfs/dbraw/zinc/86/66/94/1099866694.db2.gz JOHNAQASBNIODF-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@]1(C)O ZINC001236913003 1099872987 /nfs/dbraw/zinc/87/29/87/1099872987.db2.gz GMFMKFLHLTWVDM-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001236918105 1099877729 /nfs/dbraw/zinc/87/77/29/1099877729.db2.gz XJZKJPFABUAOAK-WMLDXEAASA-N 2 2 317.820 3.137 20 0 DGADLP COCCC[N@H+](Cc1ccc(F)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC001236947613 1099886693 /nfs/dbraw/zinc/88/66/93/1099886693.db2.gz PGZUZMZQJMCQGN-INIZCTEOSA-N 2 2 316.420 3.179 20 0 DGADLP COCCC[N@@H+](Cc1ccc(F)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC001236947613 1099886700 /nfs/dbraw/zinc/88/67/00/1099886700.db2.gz PGZUZMZQJMCQGN-INIZCTEOSA-N 2 2 316.420 3.179 20 0 DGADLP COCCC[N@H+](Cc1sc2ccccc2c1C)[C@H]1CC[NH2+]C1 ZINC001236946271 1099887264 /nfs/dbraw/zinc/88/72/64/1099887264.db2.gz KLWOMJWBZWJJSG-HNNXBMFYSA-N 2 2 318.486 3.410 20 0 DGADLP COCCC[N@@H+](Cc1sc2ccccc2c1C)[C@H]1CC[NH2+]C1 ZINC001236946271 1099887274 /nfs/dbraw/zinc/88/72/74/1099887274.db2.gz KLWOMJWBZWJJSG-HNNXBMFYSA-N 2 2 318.486 3.410 20 0 DGADLP Fc1ccc(-c2cncc(C[N@H+]3CCc4[nH+]ccn4CC3)c2)cc1 ZINC001237000457 1099918198 /nfs/dbraw/zinc/91/81/98/1099918198.db2.gz BVYWIKQTQBNMRZ-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP Fc1ccc(-c2cncc(C[N@@H+]3CCc4[nH+]ccn4CC3)c2)cc1 ZINC001237000457 1099918202 /nfs/dbraw/zinc/91/82/02/1099918202.db2.gz BVYWIKQTQBNMRZ-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP Cc1ccc(-c2cncc(C[N@H+]3CCc4[nH+]ccn4CC3)c2)cc1 ZINC001237003122 1099922410 /nfs/dbraw/zinc/92/24/10/1099922410.db2.gz QJBOSJDJNDBHMH-UHFFFAOYSA-N 2 2 318.424 3.312 20 0 DGADLP Cc1ccc(-c2cncc(C[N@@H+]3CCc4[nH+]ccn4CC3)c2)cc1 ZINC001237003122 1099922418 /nfs/dbraw/zinc/92/24/18/1099922418.db2.gz QJBOSJDJNDBHMH-UHFFFAOYSA-N 2 2 318.424 3.312 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020810 1099932506 /nfs/dbraw/zinc/93/25/06/1099932506.db2.gz YMZHORQYSOBASX-APWZRJJASA-N 2 2 318.505 3.339 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237020810 1099932516 /nfs/dbraw/zinc/93/25/16/1099932516.db2.gz YMZHORQYSOBASX-APWZRJJASA-N 2 2 318.505 3.339 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001237056252 1099946914 /nfs/dbraw/zinc/94/69/14/1099946914.db2.gz HQDRZXQXZXCLJV-CQSZACIVSA-N 2 2 304.331 3.405 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001237056252 1099946924 /nfs/dbraw/zinc/94/69/24/1099946924.db2.gz HQDRZXQXZXCLJV-CQSZACIVSA-N 2 2 304.331 3.405 20 0 DGADLP c1cc(C2CCCCC2)ccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237144093 1099991530 /nfs/dbraw/zinc/99/15/30/1099991530.db2.gz IXUTWLYDQMKOOU-FQEVSTJZSA-N 2 2 314.473 3.299 20 0 DGADLP c1cc(C2CCCCC2)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237144093 1099991537 /nfs/dbraw/zinc/99/15/37/1099991537.db2.gz IXUTWLYDQMKOOU-FQEVSTJZSA-N 2 2 314.473 3.299 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152102 1100000696 /nfs/dbraw/zinc/00/06/96/1100000696.db2.gz JRMJSNKVGMTQEW-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152102 1100000705 /nfs/dbraw/zinc/00/07/05/1100000705.db2.gz JRMJSNKVGMTQEW-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152102 1100000715 /nfs/dbraw/zinc/00/07/15/1100000715.db2.gz JRMJSNKVGMTQEW-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152102 1100000723 /nfs/dbraw/zinc/00/07/23/1100000723.db2.gz JRMJSNKVGMTQEW-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237154194 1100003503 /nfs/dbraw/zinc/00/35/03/1100003503.db2.gz KYLMANNOYXCZJF-IBGZPJMESA-N 2 2 324.472 3.492 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237154194 1100003507 /nfs/dbraw/zinc/00/35/07/1100003507.db2.gz KYLMANNOYXCZJF-IBGZPJMESA-N 2 2 324.472 3.492 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237154195 1100003644 /nfs/dbraw/zinc/00/36/44/1100003644.db2.gz KYLMANNOYXCZJF-LJQANCHMSA-N 2 2 324.472 3.492 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237154195 1100003654 /nfs/dbraw/zinc/00/36/54/1100003654.db2.gz KYLMANNOYXCZJF-LJQANCHMSA-N 2 2 324.472 3.492 20 0 DGADLP COc1cc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001237156396 1100005976 /nfs/dbraw/zinc/00/59/76/1100005976.db2.gz VNJNYHKQQGVYRZ-QGZVFWFLSA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1OC ZINC001237156396 1100005981 /nfs/dbraw/zinc/00/59/81/1100005981.db2.gz VNJNYHKQQGVYRZ-QGZVFWFLSA-N 2 2 318.461 3.119 20 0 DGADLP Fc1cc2c(cc1F)C[N@H+](Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001237191065 1100025916 /nfs/dbraw/zinc/02/59/16/1100025916.db2.gz JRWDLXGBHZCAQU-UHFFFAOYSA-N 2 2 300.352 3.126 20 0 DGADLP Fc1cc2c(cc1F)C[N@@H+](Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001237191065 1100025920 /nfs/dbraw/zinc/02/59/20/1100025920.db2.gz JRWDLXGBHZCAQU-UHFFFAOYSA-N 2 2 300.352 3.126 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237224059 1100038756 /nfs/dbraw/zinc/03/87/56/1100038756.db2.gz BOQKYGRXJQKYMP-IBGZPJMESA-N 2 2 308.429 3.022 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237224059 1100038764 /nfs/dbraw/zinc/03/87/64/1100038764.db2.gz BOQKYGRXJQKYMP-IBGZPJMESA-N 2 2 308.429 3.022 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(O)cc(F)c1 ZINC001237280622 1100059289 /nfs/dbraw/zinc/05/92/89/1100059289.db2.gz KXMBSCKXNWLVOP-DLBZAZTESA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(O)cc(F)c1 ZINC001237280622 1100059299 /nfs/dbraw/zinc/05/92/99/1100059299.db2.gz KXMBSCKXNWLVOP-DLBZAZTESA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC001237280622 1100059307 /nfs/dbraw/zinc/05/93/07/1100059307.db2.gz KXMBSCKXNWLVOP-DLBZAZTESA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC001237280622 1100059312 /nfs/dbraw/zinc/05/93/12/1100059312.db2.gz KXMBSCKXNWLVOP-DLBZAZTESA-N 2 2 306.425 3.370 20 0 DGADLP c1ccc2c(c1)C[N@@H+](Cc1cccc3c1CCO3)C21CC[NH2+]CC1 ZINC001237310538 1100073169 /nfs/dbraw/zinc/07/31/69/1100073169.db2.gz IXRSMXJOSVVFLO-UHFFFAOYSA-N 2 2 320.436 3.216 20 0 DGADLP c1ccc2c(c1)C[N@H+](Cc1cccc3c1CCO3)C21CC[NH2+]CC1 ZINC001237310538 1100073175 /nfs/dbraw/zinc/07/31/75/1100073175.db2.gz IXRSMXJOSVVFLO-UHFFFAOYSA-N 2 2 320.436 3.216 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC3(CCNc4ccccc43)CC2)n1C ZINC001237320516 1100077144 /nfs/dbraw/zinc/07/71/44/1100077144.db2.gz XZHQYAKMPGUYSC-UHFFFAOYSA-N 2 2 310.445 3.078 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2cccc3c2CCO3)CC1 ZINC001237363814 1100094905 /nfs/dbraw/zinc/09/49/05/1100094905.db2.gz OBLRGVCFPNOWGZ-UHFFFAOYSA-N 2 2 320.436 3.216 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2ncnc(Cl)c2c1 ZINC001237589044 1100182166 /nfs/dbraw/zinc/18/21/66/1100182166.db2.gz SIRNCYPLOYGJRI-UHFFFAOYSA-N 2 2 315.808 3.002 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2ncnc(Cl)c2c1 ZINC001237589044 1100182169 /nfs/dbraw/zinc/18/21/69/1100182169.db2.gz SIRNCYPLOYGJRI-UHFFFAOYSA-N 2 2 315.808 3.002 20 0 DGADLP COc1ccc(C)c(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001237711588 1100223316 /nfs/dbraw/zinc/22/33/16/1100223316.db2.gz SACFJYPLEJDNTR-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1OC(C)C ZINC001237727550 1100228017 /nfs/dbraw/zinc/22/80/17/1100228017.db2.gz MZFFLPWYNUZDPJ-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1OC(C)C ZINC001237727550 1100228020 /nfs/dbraw/zinc/22/80/20/1100228020.db2.gz MZFFLPWYNUZDPJ-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP COCC[N@H+](Cc1cccc(Cl)c1C)C1CC[NH+](C)CC1 ZINC001237737885 1100230731 /nfs/dbraw/zinc/23/07/31/1100230731.db2.gz KFOMFAJDGBETIJ-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP COCC[N@@H+](Cc1cccc(Cl)c1C)C1CC[NH+](C)CC1 ZINC001237737885 1100230739 /nfs/dbraw/zinc/23/07/39/1100230739.db2.gz KFOMFAJDGBETIJ-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c1 ZINC001238103579 1100362560 /nfs/dbraw/zinc/36/25/60/1100362560.db2.gz MYPHRZWZWVNERY-UHFFFAOYSA-N 2 2 320.440 3.273 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(OC(C)C)c3)C[C@@H]2C1 ZINC001238465036 1100451844 /nfs/dbraw/zinc/45/18/44/1100451844.db2.gz PUGPVDMERKMOES-CALCHBBNSA-N 2 2 320.452 3.387 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(OC(C)C)c3)C[C@@H]2C1 ZINC001238465036 1100451846 /nfs/dbraw/zinc/45/18/46/1100451846.db2.gz PUGPVDMERKMOES-CALCHBBNSA-N 2 2 320.452 3.387 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(OC(C)C)c3)C[C@@H]2C1 ZINC001238465036 1100451848 /nfs/dbraw/zinc/45/18/48/1100451848.db2.gz PUGPVDMERKMOES-CALCHBBNSA-N 2 2 320.452 3.387 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c(OC(C)C)c3)C[C@@H]2C1 ZINC001238465036 1100451850 /nfs/dbraw/zinc/45/18/50/1100451850.db2.gz PUGPVDMERKMOES-CALCHBBNSA-N 2 2 320.452 3.387 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001238623940 1100486299 /nfs/dbraw/zinc/48/62/99/1100486299.db2.gz GLCBQEKBAQCZMQ-UHFFFAOYSA-N 2 2 318.424 3.312 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001238623940 1100486305 /nfs/dbraw/zinc/48/63/05/1100486305.db2.gz GLCBQEKBAQCZMQ-UHFFFAOYSA-N 2 2 318.424 3.312 20 0 DGADLP CC(C)c1ccc(C[N@H+]2CCc3[nH+]ccn3CC2)c(Cl)n1 ZINC001238727126 1100512478 /nfs/dbraw/zinc/51/24/78/1100512478.db2.gz CPGCURPMCUJWMJ-UHFFFAOYSA-N 2 2 304.825 3.113 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2CCc3[nH+]ccn3CC2)c(Cl)n1 ZINC001238727126 1100512484 /nfs/dbraw/zinc/51/24/84/1100512484.db2.gz CPGCURPMCUJWMJ-UHFFFAOYSA-N 2 2 304.825 3.113 20 0 DGADLP COC(=O)CC1([NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001191899512 1100542021 /nfs/dbraw/zinc/54/20/21/1100542021.db2.gz LFOQLBFNCHNCQT-MRXNPFEDSA-N 2 2 310.482 3.105 20 0 DGADLP COC(=O)CC1([NH2+]C[C@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001191899512 1100542023 /nfs/dbraw/zinc/54/20/23/1100542023.db2.gz LFOQLBFNCHNCQT-MRXNPFEDSA-N 2 2 310.482 3.105 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc(F)c1F ZINC001240663365 1101087239 /nfs/dbraw/zinc/08/72/39/1101087239.db2.gz RMGGHAYPCODNPE-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc(F)c1F ZINC001240663365 1101087244 /nfs/dbraw/zinc/08/72/44/1101087244.db2.gz RMGGHAYPCODNPE-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cncc(C(F)(F)F)c3)c2)C1 ZINC001240794164 1101141583 /nfs/dbraw/zinc/14/15/83/1101141583.db2.gz RPQOLMLPPWKDFB-INIZCTEOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cncc(C(F)(F)F)c3)c2)C1 ZINC001240794164 1101141584 /nfs/dbraw/zinc/14/15/84/1101141584.db2.gz RPQOLMLPPWKDFB-INIZCTEOSA-N 2 2 321.346 3.300 20 0 DGADLP Cc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)cn2cc[nH+]c12 ZINC001240854548 1101158927 /nfs/dbraw/zinc/15/89/27/1101158927.db2.gz CRBJTIFONKPMBH-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001240963850 1101198883 /nfs/dbraw/zinc/19/88/83/1101198883.db2.gz WMBAUBISCYNWIM-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001240963850 1101198887 /nfs/dbraw/zinc/19/88/87/1101198887.db2.gz WMBAUBISCYNWIM-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP CCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001241086716 1101247968 /nfs/dbraw/zinc/24/79/68/1101247968.db2.gz GLKGFGKGUAXSKZ-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001241086716 1101247971 /nfs/dbraw/zinc/24/79/71/1101247971.db2.gz GLKGFGKGUAXSKZ-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CCC1(F)F ZINC001205763209 1101266276 /nfs/dbraw/zinc/26/62/76/1101266276.db2.gz OVIVKDNUKFHAIM-NSHDSACASA-N 2 2 324.293 3.001 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCC1(F)F ZINC001205763209 1101266279 /nfs/dbraw/zinc/26/62/79/1101266279.db2.gz OVIVKDNUKFHAIM-NSHDSACASA-N 2 2 324.293 3.001 20 0 DGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC001241257023 1101326698 /nfs/dbraw/zinc/32/66/98/1101326698.db2.gz FJONBJJKXPCTGF-INIZCTEOSA-N 2 2 324.472 3.089 20 0 DGADLP CC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001241262382 1101330962 /nfs/dbraw/zinc/33/09/62/1101330962.db2.gz VRRDWJQKSORPDU-QGZVFWFLSA-N 2 2 312.388 3.228 20 0 DGADLP CC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001241262382 1101330975 /nfs/dbraw/zinc/33/09/75/1101330975.db2.gz VRRDWJQKSORPDU-QGZVFWFLSA-N 2 2 312.388 3.228 20 0 DGADLP CC(=O)c1ccc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241300393 1101361897 /nfs/dbraw/zinc/36/18/97/1101361897.db2.gz QILXNPUJVSWVBN-UHFFFAOYSA-N 2 2 309.344 3.030 20 0 DGADLP Fc1ccc(Cl)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241330997 1101379581 /nfs/dbraw/zinc/37/95/81/1101379581.db2.gz MSYQHCXHLAKJTG-UHFFFAOYSA-N 2 2 301.752 3.481 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)CCC1(F)F ZINC001205787358 1101395694 /nfs/dbraw/zinc/39/56/94/1101395694.db2.gz GDDJZIMJXHDHAA-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CCC1(F)F ZINC001205787358 1101395705 /nfs/dbraw/zinc/39/57/05/1101395705.db2.gz GDDJZIMJXHDHAA-NSHDSACASA-N 2 2 313.779 3.237 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001196934444 1101429758 /nfs/dbraw/zinc/42/97/58/1101429758.db2.gz AELSNDBGOWWFEH-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)n1 ZINC001196934444 1101429764 /nfs/dbraw/zinc/42/97/64/1101429764.db2.gz AELSNDBGOWWFEH-SFHVURJKSA-N 2 2 317.477 3.177 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001196942337 1101440291 /nfs/dbraw/zinc/44/02/91/1101440291.db2.gz ALTRLBXTVKEWHH-INIZCTEOSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)o1 ZINC001196942337 1101440295 /nfs/dbraw/zinc/44/02/95/1101440295.db2.gz ALTRLBXTVKEWHH-INIZCTEOSA-N 2 2 305.466 3.323 20 0 DGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001241419484 1101445789 /nfs/dbraw/zinc/44/57/89/1101445789.db2.gz GEXFQLDGPWVYAB-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001241419484 1101445797 /nfs/dbraw/zinc/44/57/97/1101445797.db2.gz GEXFQLDGPWVYAB-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001241476964 1101492788 /nfs/dbraw/zinc/49/27/88/1101492788.db2.gz RJTNKDPRRUGZKM-OAHLLOKOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001241476964 1101492794 /nfs/dbraw/zinc/49/27/94/1101492794.db2.gz RJTNKDPRRUGZKM-OAHLLOKOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc2c[nH]nc21 ZINC001241516177 1101528624 /nfs/dbraw/zinc/52/86/24/1101528624.db2.gz DWHDPNAXUVXTJO-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc2c[nH]nc21 ZINC001241516177 1101528632 /nfs/dbraw/zinc/52/86/32/1101528632.db2.gz DWHDPNAXUVXTJO-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCCN4)cc2)C1 ZINC001241837607 1101740165 /nfs/dbraw/zinc/74/01/65/1101740165.db2.gz XZSNJSOKTAJSII-IBGZPJMESA-N 2 2 307.441 3.245 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCCN4)cc2)C1 ZINC001241837607 1101740179 /nfs/dbraw/zinc/74/01/79/1101740179.db2.gz XZSNJSOKTAJSII-IBGZPJMESA-N 2 2 307.441 3.245 20 0 DGADLP C[N@@H+]1CCc2oc(-c3ccc(-c4ccc(C[NH3+])cc4)cc3)nc2C1 ZINC001241915960 1101779832 /nfs/dbraw/zinc/77/98/32/1101779832.db2.gz FSYWOFIJSQZHHU-UHFFFAOYSA-N 2 2 319.408 3.455 20 0 DGADLP C[N@H+]1CCc2oc(-c3ccc(-c4ccc(C[NH3+])cc4)cc3)nc2C1 ZINC001241915960 1101779845 /nfs/dbraw/zinc/77/98/45/1101779845.db2.gz FSYWOFIJSQZHHU-UHFFFAOYSA-N 2 2 319.408 3.455 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829722 1101783506 /nfs/dbraw/zinc/78/35/06/1101783506.db2.gz PMGFTHVETOAWHV-RISCZKNCSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829722 1101783516 /nfs/dbraw/zinc/78/35/16/1101783516.db2.gz PMGFTHVETOAWHV-RISCZKNCSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(-c2cccc(NC(=O)NC3CC[NH2+]CC3)c2)cc(C)[nH+]1 ZINC001241995821 1101845031 /nfs/dbraw/zinc/84/50/31/1101845031.db2.gz SCKWYWBYQBHNGD-UHFFFAOYSA-N 2 2 324.428 3.239 20 0 DGADLP COc1cccc2[nH]c(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc21 ZINC001241998383 1101846393 /nfs/dbraw/zinc/84/63/93/1101846393.db2.gz PYFZYWWGDDBMKU-UHFFFAOYSA-N 2 2 318.380 3.178 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OCC4CC4)nc3)cc2)C1 ZINC001242215059 1101987561 /nfs/dbraw/zinc/98/75/61/1101987561.db2.gz FGJTXTQCMGJWDA-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OCC4CC4)nc3)cc2)C1 ZINC001242215059 1101987568 /nfs/dbraw/zinc/98/75/68/1101987568.db2.gz FGJTXTQCMGJWDA-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(OCC4CC4)nc3)c2)C1 ZINC001242215280 1101987666 /nfs/dbraw/zinc/98/76/66/1101987666.db2.gz PYVAWXNYGKAXFE-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OCC4CC4)nc3)c2)C1 ZINC001242215280 1101987675 /nfs/dbraw/zinc/98/76/75/1101987675.db2.gz PYVAWXNYGKAXFE-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC001199208764 1102083927 /nfs/dbraw/zinc/08/39/27/1102083927.db2.gz TZYRLNXKNUQZIT-JTQLQIEISA-N 2 2 315.751 3.316 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)C1 ZINC001199392491 1102119326 /nfs/dbraw/zinc/11/93/26/1102119326.db2.gz TUAAHFMJPIUAFA-YRWFTTLQSA-N 2 2 316.489 3.433 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H]2CCCOC2)c2ccccc2)CC1 ZINC001199640768 1102173864 /nfs/dbraw/zinc/17/38/64/1102173864.db2.gz XGIYCKBLIYHKNM-AZUAARDMSA-N 2 2 316.489 3.476 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001199907427 1102237004 /nfs/dbraw/zinc/23/70/04/1102237004.db2.gz VUBRVLIUMZQKCH-UHFFFAOYSA-N 2 2 324.403 3.367 20 0 DGADLP C[NH2+]Cc1ccc(-c2cc(F)ccc2C[NH+]2CCOCC2)cc1 ZINC001243101753 1102524715 /nfs/dbraw/zinc/52/47/15/1102524715.db2.gz XWSRCCXEKIMUIE-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP CCC(CC)C[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201523045 1102643543 /nfs/dbraw/zinc/64/35/43/1102643543.db2.gz CNVCHNCZAUGMKZ-UHFFFAOYSA-N 2 2 306.498 3.320 20 0 DGADLP CCC(CC)C[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201523045 1102643551 /nfs/dbraw/zinc/64/35/51/1102643551.db2.gz CNVCHNCZAUGMKZ-UHFFFAOYSA-N 2 2 306.498 3.320 20 0 DGADLP COc1c(F)c(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243304718 1102645533 /nfs/dbraw/zinc/64/55/33/1102645533.db2.gz LTNWPHOQSYYPLR-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)c(F)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243304718 1102645539 /nfs/dbraw/zinc/64/55/39/1102645539.db2.gz LTNWPHOQSYYPLR-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP Nc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1Cl ZINC001243375002 1102692112 /nfs/dbraw/zinc/69/21/12/1102692112.db2.gz ORURPURICPSBDH-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1Cl ZINC001243375002 1102692119 /nfs/dbraw/zinc/69/21/19/1102692119.db2.gz ORURPURICPSBDH-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1Cl ZINC001243375457 1102692163 /nfs/dbraw/zinc/69/21/63/1102692163.db2.gz QJRMBMSXWCPFGD-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1Cl ZINC001243375457 1102692171 /nfs/dbraw/zinc/69/21/71/1102692171.db2.gz QJRMBMSXWCPFGD-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP OCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC001201857042 1102736314 /nfs/dbraw/zinc/73/63/14/1102736314.db2.gz FMBXZZWLOBDWSS-QGZVFWFLSA-N 2 2 319.474 3.355 20 0 DGADLP Cc1c(-c2cccc(N3CC[NH+](C)CC3)c2)ccc2[nH+]ccn21 ZINC001243674211 1102908023 /nfs/dbraw/zinc/90/80/23/1102908023.db2.gz XCNBCTQKDRJDSI-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(CO)c3Cl)cc2)C1 ZINC001243706630 1102928682 /nfs/dbraw/zinc/92/86/82/1102928682.db2.gz FFKSZOQBSCHOPL-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(CO)c3Cl)cc2)C1 ZINC001243706630 1102928691 /nfs/dbraw/zinc/92/86/91/1102928691.db2.gz FFKSZOQBSCHOPL-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3c(Cl)cccc3CO)c2)C1 ZINC001243714481 1102936246 /nfs/dbraw/zinc/93/62/46/1102936246.db2.gz NUVHSKXRBQEXCS-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3c(Cl)cccc3CO)c2)C1 ZINC001243714481 1102936257 /nfs/dbraw/zinc/93/62/57/1102936257.db2.gz NUVHSKXRBQEXCS-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP FC(F)(F)CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202320245 1102941635 /nfs/dbraw/zinc/94/16/35/1102941635.db2.gz YVHNOQWTBLVXFZ-TXEJJXNPSA-N 2 2 304.381 3.064 20 0 DGADLP FC(F)(F)CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202320245 1102941637 /nfs/dbraw/zinc/94/16/37/1102941637.db2.gz YVHNOQWTBLVXFZ-TXEJJXNPSA-N 2 2 304.381 3.064 20 0 DGADLP FC(F)(F)CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202320245 1102941639 /nfs/dbraw/zinc/94/16/39/1102941639.db2.gz YVHNOQWTBLVXFZ-TXEJJXNPSA-N 2 2 304.381 3.064 20 0 DGADLP FC(F)(F)CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202320245 1102941641 /nfs/dbraw/zinc/94/16/41/1102941641.db2.gz YVHNOQWTBLVXFZ-TXEJJXNPSA-N 2 2 304.381 3.064 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001244026557 1103148695 /nfs/dbraw/zinc/14/86/95/1103148695.db2.gz YWTVZDCSTFWNFH-INIZCTEOSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001244026557 1103148701 /nfs/dbraw/zinc/14/87/01/1103148701.db2.gz YWTVZDCSTFWNFH-INIZCTEOSA-N 2 2 324.424 3.063 20 0 DGADLP c1ccc(OCCCCC[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001326056267 1103195827 /nfs/dbraw/zinc/19/58/27/1103195827.db2.gz SSAPOXSVVGDBPI-GOSISDBHSA-N 2 2 302.462 3.406 20 0 DGADLP c1ccc(OCCCCC[N@H+]2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC001326056267 1103195835 /nfs/dbraw/zinc/19/58/35/1103195835.db2.gz SSAPOXSVVGDBPI-GOSISDBHSA-N 2 2 302.462 3.406 20 0 DGADLP c1ccc(OCCCCC[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001326056267 1103195841 /nfs/dbraw/zinc/19/58/41/1103195841.db2.gz SSAPOXSVVGDBPI-GOSISDBHSA-N 2 2 302.462 3.406 20 0 DGADLP c1ccc(OCCCCC[NH+]2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001326056267 1103195847 /nfs/dbraw/zinc/19/58/47/1103195847.db2.gz SSAPOXSVVGDBPI-GOSISDBHSA-N 2 2 302.462 3.406 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001326506196 1103345586 /nfs/dbraw/zinc/34/55/86/1103345586.db2.gz PKSCHFMKINYIPM-LSDHHAIUSA-N 2 2 310.401 3.341 20 0 DGADLP Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cnc1OC(C)C ZINC001244686461 1103623244 /nfs/dbraw/zinc/62/32/44/1103623244.db2.gz KDMDNIIZSRQEFT-UHFFFAOYSA-N 2 2 322.412 3.179 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC001327839622 1103738732 /nfs/dbraw/zinc/73/87/32/1103738732.db2.gz JIVGFYDBHDOJPH-KDOFPFPSSA-N 2 2 301.409 3.206 20 0 DGADLP Clc1ccnc(Cl)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244939290 1103771450 /nfs/dbraw/zinc/77/14/50/1103771450.db2.gz ZSZCXTSXLWVFDE-UHFFFAOYSA-N 2 2 319.195 3.390 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001202520858 1103892641 /nfs/dbraw/zinc/89/26/41/1103892641.db2.gz RFGJWGUCCAPAHO-SFHVURJKSA-N 2 2 308.510 3.316 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001202520858 1103892648 /nfs/dbraw/zinc/89/26/48/1103892648.db2.gz RFGJWGUCCAPAHO-SFHVURJKSA-N 2 2 308.510 3.316 20 0 DGADLP Nc1[nH+]ccn1-c1ccc(-c2c[nH+]cn2Cc2ccccc2)cc1 ZINC001245201089 1103906382 /nfs/dbraw/zinc/90/63/82/1103906382.db2.gz OLDFXBZDCIKJFU-UHFFFAOYSA-N 2 2 315.380 3.366 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(C3CC3)no2)[nH+]1 ZINC001328395022 1103932187 /nfs/dbraw/zinc/93/21/87/1103932187.db2.gz UFOONZYPJVKLME-HNNXBMFYSA-N 2 2 312.417 3.332 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(C3CC3)no2)[nH+]1 ZINC001328395022 1103932193 /nfs/dbraw/zinc/93/21/93/1103932193.db2.gz UFOONZYPJVKLME-HNNXBMFYSA-N 2 2 312.417 3.332 20 0 DGADLP Cc1cccc2c(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)[nH]nc21 ZINC001137150446 1104015226 /nfs/dbraw/zinc/01/52/26/1104015226.db2.gz HRBQZIJPSSBXNC-UHFFFAOYSA-N 2 2 300.450 3.176 20 0 DGADLP Cc1cccc2c(C[N@H+](C(C)C)C3CC[NH+](C)CC3)[nH]nc21 ZINC001137150446 1104015235 /nfs/dbraw/zinc/01/52/35/1104015235.db2.gz HRBQZIJPSSBXNC-UHFFFAOYSA-N 2 2 300.450 3.176 20 0 DGADLP CCOC(=[NH2+])c1cccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001245423761 1104042600 /nfs/dbraw/zinc/04/26/00/1104042600.db2.gz DGTQKFAEIAKIJU-GOSISDBHSA-N 2 2 314.429 3.317 20 0 DGADLP Cc1ccc2[nH]c(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2c1 ZINC001245572302 1104131701 /nfs/dbraw/zinc/13/17/01/1104131701.db2.gz PURKNEUARXKGFY-UHFFFAOYSA-N 2 2 302.381 3.478 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)sc2C1 ZINC001329161566 1104174557 /nfs/dbraw/zinc/17/45/57/1104174557.db2.gz NRRQELHOSSCCAU-UONOGXRCSA-N 2 2 307.507 3.089 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161566 1104174559 /nfs/dbraw/zinc/17/45/59/1104174559.db2.gz NRRQELHOSSCCAU-UONOGXRCSA-N 2 2 307.507 3.089 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001245778417 1104232221 /nfs/dbraw/zinc/23/22/21/1104232221.db2.gz KJACZRAKMBSYGI-CQSZACIVSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001245778417 1104232231 /nfs/dbraw/zinc/23/22/31/1104232231.db2.gz KJACZRAKMBSYGI-CQSZACIVSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccc(C)cc3)CC2)[nH+]c1C ZINC001329511985 1104292848 /nfs/dbraw/zinc/29/28/48/1104292848.db2.gz GOGVXYPOWFMIQE-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccc(C)cc3)CC2)[nH+]c1C ZINC001329511985 1104292857 /nfs/dbraw/zinc/29/28/57/1104292857.db2.gz GOGVXYPOWFMIQE-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001245909055 1104301682 /nfs/dbraw/zinc/30/16/82/1104301682.db2.gz GANVWDCPNXDIDS-LJQANCHMSA-N 3 2 309.457 3.080 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001245909055 1104301694 /nfs/dbraw/zinc/30/16/94/1104301694.db2.gz GANVWDCPNXDIDS-LJQANCHMSA-N 3 2 309.457 3.080 20 0 DGADLP Brc1ccc2c(C3C[NH+](CC4CCC4)C3)[nH+]cn2c1 ZINC001202762689 1104303188 /nfs/dbraw/zinc/30/31/88/1104303188.db2.gz JWWFDVMBTPPZDP-UHFFFAOYSA-N 2 2 320.234 3.296 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cccc(Br)c2F)C[C@@H](C)[NH2+]1 ZINC001246076681 1104371988 /nfs/dbraw/zinc/37/19/88/1104371988.db2.gz MXRKEXYSPTVWEQ-NXEZZACHSA-N 2 2 315.230 3.207 20 0 DGADLP COc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246074559 1104369931 /nfs/dbraw/zinc/36/99/31/1104369931.db2.gz DYMJRQSWOOOBCZ-HIFRSBDPSA-N 2 2 312.404 3.230 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246077442 1104371072 /nfs/dbraw/zinc/37/10/72/1104371072.db2.gz SERZKUJUVRPUHK-NEPJUHHUSA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246077295 1104371220 /nfs/dbraw/zinc/37/12/20/1104371220.db2.gz SFNKHVCZYRKYPJ-MAUKXSAKSA-N 2 2 300.833 3.487 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246077297 1104372321 /nfs/dbraw/zinc/37/23/21/1104372321.db2.gz SFNKHVCZYRKYPJ-YJBOKZPZSA-N 2 2 300.833 3.487 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246076013 1104372871 /nfs/dbraw/zinc/37/28/71/1104372871.db2.gz MSNYIBANOOPJCH-IAGOWNOFSA-N 2 2 312.413 3.026 20 0 DGADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246086569 1104377905 /nfs/dbraw/zinc/37/79/05/1104377905.db2.gz DOHAJJPHMFCQSQ-XLIONFOSSA-N 2 2 324.468 3.175 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246089801 1104378522 /nfs/dbraw/zinc/37/85/22/1104378522.db2.gz DWQDMXNQCSQUGE-DFBGVHRSSA-N 2 2 317.235 3.140 20 0 DGADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246095124 1104381836 /nfs/dbraw/zinc/38/18/36/1104381836.db2.gz YZNOQMWYVKXHLH-PXNSSMCTSA-N 2 2 324.468 3.175 20 0 DGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246097335 1104384980 /nfs/dbraw/zinc/38/49/80/1104384980.db2.gz NVCAPNFZZASYIR-PZZKWDHKSA-N 2 2 302.437 3.103 20 0 DGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246108172 1104391187 /nfs/dbraw/zinc/39/11/87/1104391187.db2.gz HXZVCZLRDSUCSD-CQDKDKBSSA-N 2 2 317.235 3.140 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)C[C@H](C)[NH2+]1 ZINC001246161747 1104411351 /nfs/dbraw/zinc/41/13/51/1104411351.db2.gz LHSXHUBNQWEKQI-PEGIJTEDSA-N 2 2 304.331 3.463 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246165545 1104413990 /nfs/dbraw/zinc/41/39/90/1104413990.db2.gz JENQKLUWSHHQCF-GJZGRUSLSA-N 2 2 300.368 3.487 20 0 DGADLP Clc1cccc(Cl)c1CSCC[NH2+][C@H]1CC[NH2+]C1 ZINC001246180325 1104425016 /nfs/dbraw/zinc/42/50/16/1104425016.db2.gz VQVSWJVFOLWTIE-JTQLQIEISA-N 2 2 305.274 3.178 20 0 DGADLP CCCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246184406 1104428036 /nfs/dbraw/zinc/42/80/36/1104428036.db2.gz KQYRVBTXMBTGLB-UXHICEINSA-N 3 2 317.521 3.061 20 0 DGADLP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246184406 1104428041 /nfs/dbraw/zinc/42/80/41/1104428041.db2.gz KQYRVBTXMBTGLB-UXHICEINSA-N 3 2 317.521 3.061 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC001246201930 1104436001 /nfs/dbraw/zinc/43/60/01/1104436001.db2.gz YWLGTZOSMFSOOA-DZGCQCFKSA-N 2 2 311.267 3.315 20 0 DGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246204308 1104437617 /nfs/dbraw/zinc/43/76/17/1104437617.db2.gz DWQDMXNQCSQUGE-TUKIKUTGSA-N 2 2 317.235 3.140 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246221242 1104442996 /nfs/dbraw/zinc/44/29/96/1104442996.db2.gz JSJQDXVCMFZSFL-NWDGAFQWSA-N 2 2 320.330 3.345 20 0 DGADLP CC[C@H]1CC([NH2+]Cc2ccc(F)c(OC)c2F)C[C@H](CC)[NH2+]1 ZINC001246224821 1104446354 /nfs/dbraw/zinc/44/63/54/1104446354.db2.gz JFPUFVQRFKSTFK-STQMWFEESA-N 2 2 312.404 3.372 20 0 DGADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246240988 1104453369 /nfs/dbraw/zinc/45/33/69/1104453369.db2.gz UIVYVLWLNFRWFM-CZAAIQMYSA-N 2 2 324.468 3.174 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC001246248387 1104457653 /nfs/dbraw/zinc/45/76/53/1104457653.db2.gz XABNZAKNTLWYKQ-LNLFQRSKSA-N 3 2 319.468 3.049 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246277894 1104471118 /nfs/dbraw/zinc/47/11/18/1104471118.db2.gz BYESONPMAUYAHK-YJBOKZPZSA-N 2 2 300.833 3.487 20 0 DGADLP C[C@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)[C@H]1C[NH2+]CCO1 ZINC001246296921 1104476892 /nfs/dbraw/zinc/47/68/92/1104476892.db2.gz SSJVQKUBUBDWOG-SMRZUVACSA-N 2 2 322.880 3.333 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)CC[NH2+]1 ZINC001246294302 1104476974 /nfs/dbraw/zinc/47/69/74/1104476974.db2.gz KSNNVIUPZWANKA-BMFZPTHFSA-N 2 2 301.459 3.157 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2Cl)CC[NH2+]1 ZINC001246323241 1104488621 /nfs/dbraw/zinc/48/86/21/1104488621.db2.gz DHJKAFMGMYCKGN-KOLCDFICSA-N 2 2 317.658 3.333 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246331950 1104495065 /nfs/dbraw/zinc/49/50/65/1104495065.db2.gz CMXYZDMQNKTDEH-RLLQIKCJSA-N 3 2 317.521 3.394 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC[NH2+]1 ZINC001246331950 1104495070 /nfs/dbraw/zinc/49/50/70/1104495070.db2.gz CMXYZDMQNKTDEH-RLLQIKCJSA-N 3 2 317.521 3.394 20 0 DGADLP CC[C@@H]1CC([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246336810 1104497373 /nfs/dbraw/zinc/49/73/73/1104497373.db2.gz QDBQTEITARJMPZ-BHIYHBOVSA-N 3 2 317.521 3.393 20 0 DGADLP CC[C@@H]1CC([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C[C@@H](CC)[NH2+]1 ZINC001246336810 1104497374 /nfs/dbraw/zinc/49/73/74/1104497374.db2.gz QDBQTEITARJMPZ-BHIYHBOVSA-N 3 2 317.521 3.393 20 0 DGADLP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001274858645 1104522324 /nfs/dbraw/zinc/52/23/24/1104522324.db2.gz SZQRZGGLJQUUDX-CQSZACIVSA-N 2 2 305.466 3.151 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246395470 1104524083 /nfs/dbraw/zinc/52/40/83/1104524083.db2.gz MUBDQYACBBYMGL-XJIUQZFPSA-N 2 2 310.869 3.272 20 0 DGADLP CC[C@H]1CC([NH2+][C@H](CO)c2ccccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246395461 1104524110 /nfs/dbraw/zinc/52/41/10/1104524110.db2.gz MUBDQYACBBYMGL-GDZNZVCISA-N 2 2 310.869 3.272 20 0 DGADLP Fc1cccc([C@H](CC2CCOCC2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246404138 1104529694 /nfs/dbraw/zinc/52/96/94/1104529694.db2.gz IMKJCBRXEUWNMN-ROUUACIJSA-N 2 2 306.425 3.025 20 0 DGADLP CCC(=O)C(C)(C)C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274913477 1104541700 /nfs/dbraw/zinc/54/17/00/1104541700.db2.gz ZIMVITWYWBJSHV-UHFFFAOYSA-N 2 2 306.494 3.332 20 0 DGADLP CCC(=O)C(C)(C)C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274913477 1104541708 /nfs/dbraw/zinc/54/17/08/1104541708.db2.gz ZIMVITWYWBJSHV-UHFFFAOYSA-N 2 2 306.494 3.332 20 0 DGADLP CCc1ccccc1-c1nc(C[NH2+][C@@H](C)CC[NH2+]C)cs1 ZINC001246501312 1104566630 /nfs/dbraw/zinc/56/66/30/1104566630.db2.gz CBYBCXDNIUKTGM-ZDUSSCGKSA-N 2 2 303.475 3.460 20 0 DGADLP COCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274986266 1104567455 /nfs/dbraw/zinc/56/74/55/1104567455.db2.gz BECKYOOETCPNFF-LJQANCHMSA-N 2 2 319.493 3.119 20 0 DGADLP COCCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274986266 1104567464 /nfs/dbraw/zinc/56/74/64/1104567464.db2.gz BECKYOOETCPNFF-LJQANCHMSA-N 2 2 319.493 3.119 20 0 DGADLP COCCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274986266 1104567468 /nfs/dbraw/zinc/56/74/68/1104567468.db2.gz BECKYOOETCPNFF-LJQANCHMSA-N 2 2 319.493 3.119 20 0 DGADLP COCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274986266 1104567472 /nfs/dbraw/zinc/56/74/72/1104567472.db2.gz BECKYOOETCPNFF-LJQANCHMSA-N 2 2 319.493 3.119 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCc3ccccc3CC2)c1 ZINC001246513123 1104572415 /nfs/dbraw/zinc/57/24/15/1104572415.db2.gz VTGBIWJIPYGGND-FQEVSTJZSA-N 2 2 310.441 3.232 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246517751 1104574022 /nfs/dbraw/zinc/57/40/22/1104574022.db2.gz BIDNJRWNLAYIQH-IAOVAPTHSA-N 2 2 306.450 3.277 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2COc3c2cccc3OC)C[C@H](CC)[NH2+]1 ZINC001246516203 1104574158 /nfs/dbraw/zinc/57/41/58/1104574158.db2.gz UVYPGIQJRVWRCM-HLPPOEQASA-N 2 2 304.434 3.028 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2COc3c2cccc3OC)CC[NH2+]1 ZINC001246517094 1104574303 /nfs/dbraw/zinc/57/43/03/1104574303.db2.gz ZOUWQHVPBWUBDF-IJEWVQPXSA-N 2 2 304.434 3.029 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(C(C)C)CC2)cc1 ZINC001246525913 1104578451 /nfs/dbraw/zinc/57/84/51/1104578451.db2.gz OSVLPPJSKKOKID-UYJHFMRCSA-N 2 2 318.461 3.277 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC001246528819 1104580220 /nfs/dbraw/zinc/58/02/20/1104580220.db2.gz YSXXKZUVNGQFMJ-XOKHGSTOSA-N 2 2 318.461 3.277 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528008 1104580563 /nfs/dbraw/zinc/58/05/63/1104580563.db2.gz NFOUYYJTGFGOJF-NMLBUPMWSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246528008 1104580566 /nfs/dbraw/zinc/58/05/66/1104580566.db2.gz NFOUYYJTGFGOJF-NMLBUPMWSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246536187 1104582054 /nfs/dbraw/zinc/58/20/54/1104582054.db2.gz NAJFJRXLRRGEPL-WQDJSCAQSA-N 2 2 309.457 3.422 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246536187 1104582059 /nfs/dbraw/zinc/58/20/59/1104582059.db2.gz NAJFJRXLRRGEPL-WQDJSCAQSA-N 2 2 309.457 3.422 20 0 DGADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246551207 1104589843 /nfs/dbraw/zinc/58/98/43/1104589843.db2.gz PYMUGBLYUMTMCU-VJFUWPCTSA-N 2 2 322.880 3.286 20 0 DGADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246551207 1104589852 /nfs/dbraw/zinc/58/98/52/1104589852.db2.gz PYMUGBLYUMTMCU-VJFUWPCTSA-N 2 2 322.880 3.286 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nccn3CC)(C1)CCC2 ZINC001275061719 1104600814 /nfs/dbraw/zinc/60/08/14/1104600814.db2.gz LBHWFJZTDLEZMM-NZSAHSFTSA-N 2 2 318.509 3.474 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246575234 1104602196 /nfs/dbraw/zinc/60/21/96/1104602196.db2.gz ZXUBIKCBDPEWHD-ONERCXAPSA-N 2 2 302.796 3.171 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246575234 1104602200 /nfs/dbraw/zinc/60/22/00/1104602200.db2.gz ZXUBIKCBDPEWHD-ONERCXAPSA-N 2 2 302.796 3.171 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246601380 1104618883 /nfs/dbraw/zinc/61/88/83/1104618883.db2.gz IFEUOOCBHTZSTK-BBRMVZONSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246601380 1104618886 /nfs/dbraw/zinc/61/88/86/1104618886.db2.gz IFEUOOCBHTZSTK-BBRMVZONSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246608682 1104624854 /nfs/dbraw/zinc/62/48/54/1104624854.db2.gz IPOQVYHNKOHNKX-CZUORRHYSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246608682 1104624860 /nfs/dbraw/zinc/62/48/60/1104624860.db2.gz IPOQVYHNKOHNKX-CZUORRHYSA-N 2 2 312.379 3.464 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610564 1104626015 /nfs/dbraw/zinc/62/60/15/1104626015.db2.gz PIIFTTHQMOVJGJ-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610564 1104626021 /nfs/dbraw/zinc/62/60/21/1104626021.db2.gz PIIFTTHQMOVJGJ-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613482 1104627721 /nfs/dbraw/zinc/62/77/21/1104627721.db2.gz JKXCQAGXHAYFSK-CZUORRHYSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613482 1104627725 /nfs/dbraw/zinc/62/77/25/1104627725.db2.gz JKXCQAGXHAYFSK-CZUORRHYSA-N 2 2 323.278 3.208 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246612810 1104628846 /nfs/dbraw/zinc/62/88/46/1104628846.db2.gz XEZFOZPLWZBEDP-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246612810 1104628848 /nfs/dbraw/zinc/62/88/48/1104628848.db2.gz XEZFOZPLWZBEDP-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615927 1104629849 /nfs/dbraw/zinc/62/98/49/1104629849.db2.gz XSMLOBZZSYHCTK-BBRMVZONSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246615927 1104629852 /nfs/dbraw/zinc/62/98/52/1104629852.db2.gz XSMLOBZZSYHCTK-BBRMVZONSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246623508 1104632947 /nfs/dbraw/zinc/63/29/47/1104632947.db2.gz UHJAYRYCFCKETK-CYBMUJFWSA-N 2 2 312.379 3.322 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629017 1104636173 /nfs/dbraw/zinc/63/61/73/1104636173.db2.gz DDRRRSHVNZZDLT-VBNZEHGJSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246629017 1104636179 /nfs/dbraw/zinc/63/61/79/1104636179.db2.gz DDRRRSHVNZZDLT-VBNZEHGJSA-N 2 2 323.278 3.206 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636999 1104640752 /nfs/dbraw/zinc/64/07/52/1104640752.db2.gz IHXUUAPGEOGBEA-DAXOMENPSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636999 1104640756 /nfs/dbraw/zinc/64/07/56/1104640756.db2.gz IHXUUAPGEOGBEA-DAXOMENPSA-N 2 2 311.256 3.287 20 0 DGADLP c1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)nc2c1 ZINC001275137155 1104644878 /nfs/dbraw/zinc/64/48/78/1104644878.db2.gz QEAYKEFMUUPUTM-MQVJKMGUSA-N 2 2 310.445 3.058 20 0 DGADLP c1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)nc2c1 ZINC001275137155 1104644881 /nfs/dbraw/zinc/64/48/81/1104644881.db2.gz QEAYKEFMUUPUTM-MQVJKMGUSA-N 2 2 310.445 3.058 20 0 DGADLP c1ccc(C2CCC([N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246649879 1104647457 /nfs/dbraw/zinc/64/74/57/1104647457.db2.gz QYXOEQQNFDSQGV-SOAGJPPSSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc(C2CCC([N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)CC2)cc1 ZINC001246649879 1104647459 /nfs/dbraw/zinc/64/74/59/1104647459.db2.gz QYXOEQQNFDSQGV-SOAGJPPSSA-N 2 2 314.473 3.167 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650460 1104647943 /nfs/dbraw/zinc/64/79/43/1104647943.db2.gz IJGKQKGSMXTGQT-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246650460 1104647950 /nfs/dbraw/zinc/64/79/50/1104647950.db2.gz IJGKQKGSMXTGQT-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660430 1104652199 /nfs/dbraw/zinc/65/21/99/1104652199.db2.gz DDRRRSHVNZZDLT-MAZHCROVSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246660430 1104652204 /nfs/dbraw/zinc/65/22/04/1104652204.db2.gz DDRRRSHVNZZDLT-MAZHCROVSA-N 2 2 323.278 3.206 20 0 DGADLP COc1ccccc1CC1CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246697415 1104664129 /nfs/dbraw/zinc/66/41/29/1104664129.db2.gz NCBLYMCJRJJJIP-QAPCUYQASA-N 2 2 302.462 3.090 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785631 1104673806 /nfs/dbraw/zinc/67/38/06/1104673806.db2.gz BXDJMMDJLJAJEU-DLBZAZTESA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccc(CO[C@@H]2CCC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246785631 1104673809 /nfs/dbraw/zinc/67/38/09/1104673809.db2.gz BXDJMMDJLJAJEU-DLBZAZTESA-N 2 2 308.853 3.073 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798739 1104681234 /nfs/dbraw/zinc/68/12/34/1104681234.db2.gz RGIRVAJVOPNWHP-FCGDIQPGSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798739 1104681236 /nfs/dbraw/zinc/68/12/36/1104681236.db2.gz RGIRVAJVOPNWHP-FCGDIQPGSA-N 2 2 302.462 3.369 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001275240606 1104687230 /nfs/dbraw/zinc/68/72/30/1104687230.db2.gz ZPFOHBGJFFCWEW-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP c1n[nH]cc1C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001275240606 1104687234 /nfs/dbraw/zinc/68/72/34/1104687234.db2.gz ZPFOHBGJFFCWEW-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001275240606 1104687241 /nfs/dbraw/zinc/68/72/41/1104687241.db2.gz ZPFOHBGJFFCWEW-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001275240606 1104687246 /nfs/dbraw/zinc/68/72/46/1104687246.db2.gz ZPFOHBGJFFCWEW-FQEVSTJZSA-N 2 2 324.472 3.288 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2C(C)C)CC[NH2+]1 ZINC001246836226 1104697549 /nfs/dbraw/zinc/69/75/49/1104697549.db2.gz NGCKGCIWNUCOCN-WDSOQIARSA-N 2 2 320.452 3.284 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2C(C)C)CC[NH2+]1 ZINC001246836226 1104697554 /nfs/dbraw/zinc/69/75/54/1104697554.db2.gz NGCKGCIWNUCOCN-WDSOQIARSA-N 2 2 320.452 3.284 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275276418 1104700404 /nfs/dbraw/zinc/70/04/04/1104700404.db2.gz YAGBRRKKGACGPC-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275276418 1104700410 /nfs/dbraw/zinc/70/04/10/1104700410.db2.gz YAGBRRKKGACGPC-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275276418 1104700416 /nfs/dbraw/zinc/70/04/16/1104700416.db2.gz YAGBRRKKGACGPC-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275276418 1104700421 /nfs/dbraw/zinc/70/04/21/1104700421.db2.gz YAGBRRKKGACGPC-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840613 1104701931 /nfs/dbraw/zinc/70/19/31/1104701931.db2.gz OLYLATXFAOXZIJ-QRVBRYPASA-N 2 2 302.462 3.073 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840613 1104701936 /nfs/dbraw/zinc/70/19/36/1104701936.db2.gz OLYLATXFAOXZIJ-QRVBRYPASA-N 2 2 302.462 3.073 20 0 DGADLP C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001246844292 1104703543 /nfs/dbraw/zinc/70/35/43/1104703543.db2.gz LNAYBPYBXIPSDI-WFFDWFOESA-N 2 2 320.864 3.170 20 0 DGADLP C[C@@]1(c2ccc(Cl)cc2)C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001246844292 1104703552 /nfs/dbraw/zinc/70/35/52/1104703552.db2.gz LNAYBPYBXIPSDI-WFFDWFOESA-N 2 2 320.864 3.170 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccc(F)cc3F)CC2)C[NH2+]1 ZINC001246869925 1104715248 /nfs/dbraw/zinc/71/52/48/1104715248.db2.gz JECGERJGLLYRNO-CXAGYDPISA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246951016 1104750088 /nfs/dbraw/zinc/75/00/88/1104750088.db2.gz AKYGOEJSLQYJMA-RWQQGDIJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246951016 1104750093 /nfs/dbraw/zinc/75/00/93/1104750093.db2.gz AKYGOEJSLQYJMA-RWQQGDIJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246958065 1104752176 /nfs/dbraw/zinc/75/21/76/1104752176.db2.gz BSJDXYKFYXGENZ-RWQQGDIJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246958065 1104752179 /nfs/dbraw/zinc/75/21/79/1104752179.db2.gz BSJDXYKFYXGENZ-RWQQGDIJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246967921 1104755342 /nfs/dbraw/zinc/75/53/42/1104755342.db2.gz VCWNHDIBFPKYFK-PSBWJHGTSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001246967921 1104755345 /nfs/dbraw/zinc/75/53/45/1104755345.db2.gz VCWNHDIBFPKYFK-PSBWJHGTSA-N 2 2 301.478 3.460 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974976 1104757600 /nfs/dbraw/zinc/75/76/00/1104757600.db2.gz LMEWEFDGNGALRP-PMACEKPBSA-N 3 2 313.489 3.086 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974976 1104757605 /nfs/dbraw/zinc/75/76/05/1104757605.db2.gz LMEWEFDGNGALRP-PMACEKPBSA-N 3 2 313.489 3.086 20 0 DGADLP CCOC(=O)CCC[C@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975968 1104758300 /nfs/dbraw/zinc/75/83/00/1104758300.db2.gz DQTNTVSKLJPVDR-RDJZCZTQSA-N 2 2 310.482 3.105 20 0 DGADLP CCOC(=O)CCC[C@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975968 1104758304 /nfs/dbraw/zinc/75/83/04/1104758304.db2.gz DQTNTVSKLJPVDR-RDJZCZTQSA-N 2 2 310.482 3.105 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975492 1104758613 /nfs/dbraw/zinc/75/86/13/1104758613.db2.gz UHTUAUZMERMLCO-MHORFTMASA-N 3 2 317.477 3.152 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975492 1104758620 /nfs/dbraw/zinc/75/86/20/1104758620.db2.gz UHTUAUZMERMLCO-MHORFTMASA-N 3 2 317.477 3.152 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977370 1104759649 /nfs/dbraw/zinc/75/96/49/1104759649.db2.gz HDBSICMLJUFYHP-KBAYOESNSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977370 1104759654 /nfs/dbraw/zinc/75/96/54/1104759654.db2.gz HDBSICMLJUFYHP-KBAYOESNSA-N 2 2 322.493 3.105 20 0 DGADLP CCCCCC[C@H](CCC)[N@@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246989339 1104765355 /nfs/dbraw/zinc/76/53/55/1104765355.db2.gz QUWVUGRNLRVZRN-YQVWRLOYSA-N 2 2 324.509 3.353 20 0 DGADLP CCCCCC[C@H](CCC)[N@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246989339 1104765361 /nfs/dbraw/zinc/76/53/61/1104765361.db2.gz QUWVUGRNLRVZRN-YQVWRLOYSA-N 2 2 324.509 3.353 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246994667 1104767094 /nfs/dbraw/zinc/76/70/94/1104767094.db2.gz QRIYUVKUKNJDTA-INIZCTEOSA-N 2 2 316.445 3.302 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246994667 1104767101 /nfs/dbraw/zinc/76/71/01/1104767101.db2.gz QRIYUVKUKNJDTA-INIZCTEOSA-N 2 2 316.445 3.302 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246993956 1104767212 /nfs/dbraw/zinc/76/72/12/1104767212.db2.gz NTHMZWYEJUWSRA-GOEBONIOSA-N 2 2 304.434 3.014 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246993956 1104767217 /nfs/dbraw/zinc/76/72/17/1104767217.db2.gz NTHMZWYEJUWSRA-GOEBONIOSA-N 2 2 304.434 3.014 20 0 DGADLP Fc1cccc2c1CC[C@]21CCC[N@@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC001247000352 1104771665 /nfs/dbraw/zinc/77/16/65/1104771665.db2.gz WAPABRKOYCJEGI-KXBFYZLASA-N 2 2 302.437 3.248 20 0 DGADLP Fc1cccc2c1CC[C@]21CCC[N@H+]([C@H]2CCCC[NH2+]C2)C1 ZINC001247000352 1104771666 /nfs/dbraw/zinc/77/16/66/1104771666.db2.gz WAPABRKOYCJEGI-KXBFYZLASA-N 2 2 302.437 3.248 20 0 DGADLP COc1cc2[nH]c(CC[NH2+]C3CCCCC3)[nH+]c2cc1OC ZINC001247019231 1104779565 /nfs/dbraw/zinc/77/95/65/1104779565.db2.gz HZBBMMUYRZFACT-UHFFFAOYSA-N 2 2 303.406 3.045 20 0 DGADLP CCOc1cc2[nH]c(C[C@@H]3CCCC[NH2+]3)[nH+]c2cc1OCC ZINC001247019183 1104779892 /nfs/dbraw/zinc/77/98/92/1104779892.db2.gz HIVFLKGVVOBLFJ-LBPRGKRZSA-N 2 2 303.406 3.045 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071081 1105008789 /nfs/dbraw/zinc/00/87/89/1105008789.db2.gz BUWOCRCDOBKQOR-IBGZPJMESA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071081 1105008795 /nfs/dbraw/zinc/00/87/95/1105008795.db2.gz BUWOCRCDOBKQOR-IBGZPJMESA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071081 1105008800 /nfs/dbraw/zinc/00/88/00/1105008800.db2.gz BUWOCRCDOBKQOR-IBGZPJMESA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276071081 1105008806 /nfs/dbraw/zinc/00/88/06/1105008806.db2.gz BUWOCRCDOBKQOR-IBGZPJMESA-N 2 2 312.461 3.139 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]cn1C ZINC001276144685 1105029943 /nfs/dbraw/zinc/02/99/43/1105029943.db2.gz AWDWIZAASXHIPQ-OKZBNKHCSA-N 2 2 318.509 3.285 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]cn1C ZINC001276144685 1105029945 /nfs/dbraw/zinc/02/99/45/1105029945.db2.gz AWDWIZAASXHIPQ-OKZBNKHCSA-N 2 2 318.509 3.285 20 0 DGADLP c1cn2ccc(C[NH+]3CCC4(C[NH+](C5CCCC5)C4)CC3)cc2[nH+]1 ZINC001276209320 1105048323 /nfs/dbraw/zinc/04/83/23/1105048323.db2.gz CSGHBULFFJPWLK-UHFFFAOYSA-N 3 2 324.472 3.175 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276224087 1105053192 /nfs/dbraw/zinc/05/31/92/1105053192.db2.gz XMTGEKTZROSJRT-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276224087 1105053201 /nfs/dbraw/zinc/05/32/01/1105053201.db2.gz XMTGEKTZROSJRT-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276224087 1105053209 /nfs/dbraw/zinc/05/32/09/1105053209.db2.gz XMTGEKTZROSJRT-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276224087 1105053215 /nfs/dbraw/zinc/05/32/15/1105053215.db2.gz XMTGEKTZROSJRT-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248272252 1105083404 /nfs/dbraw/zinc/08/34/04/1105083404.db2.gz FLYDQURSMNVLMA-AWEZNQCLSA-N 2 2 323.400 3.122 20 0 DGADLP CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248272252 1105083411 /nfs/dbraw/zinc/08/34/11/1105083411.db2.gz FLYDQURSMNVLMA-AWEZNQCLSA-N 2 2 323.400 3.122 20 0 DGADLP Cc1cccc(Br)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001248619058 1105138070 /nfs/dbraw/zinc/13/80/70/1105138070.db2.gz TVBPRBVRZBXGPD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(Br)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001248619058 1105138072 /nfs/dbraw/zinc/13/80/72/1105138072.db2.gz TVBPRBVRZBXGPD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001248619058 1105138073 /nfs/dbraw/zinc/13/80/73/1105138073.db2.gz TVBPRBVRZBXGPD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001248619058 1105138074 /nfs/dbraw/zinc/13/80/74/1105138074.db2.gz TVBPRBVRZBXGPD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Cl)c1OC ZINC001248800477 1105164343 /nfs/dbraw/zinc/16/43/43/1105164343.db2.gz VNERCDMCTBOEFF-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(Cl)c1OC ZINC001248800477 1105164345 /nfs/dbraw/zinc/16/43/45/1105164345.db2.gz VNERCDMCTBOEFF-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248960769 1105202332 /nfs/dbraw/zinc/20/23/32/1105202332.db2.gz DTSJQQVAJONCSC-CQSZACIVSA-N 2 2 323.400 3.120 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248960769 1105202336 /nfs/dbraw/zinc/20/23/36/1105202336.db2.gz DTSJQQVAJONCSC-CQSZACIVSA-N 2 2 323.400 3.120 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248960768 1105202348 /nfs/dbraw/zinc/20/23/48/1105202348.db2.gz DTSJQQVAJONCSC-AWEZNQCLSA-N 2 2 323.400 3.120 20 0 DGADLP CC(C)[N@H+]1CC[C@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248960768 1105202351 /nfs/dbraw/zinc/20/23/51/1105202351.db2.gz DTSJQQVAJONCSC-AWEZNQCLSA-N 2 2 323.400 3.120 20 0 DGADLP CC1(C)[C@H](C[NH3+])C[C@@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249198854 1105245196 /nfs/dbraw/zinc/24/51/96/1105245196.db2.gz KIJUBIHGJJRQIL-DZGCQCFKSA-N 2 2 323.400 3.011 20 0 DGADLP [NH3+]CC1CCC(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC001249261139 1105259074 /nfs/dbraw/zinc/25/90/74/1105259074.db2.gz SUCBITYKKAMMEK-UHFFFAOYSA-N 2 2 323.400 3.155 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001249409614 1105281777 /nfs/dbraw/zinc/28/17/77/1105281777.db2.gz DOQVYPJXXOACIK-OAHLLOKOSA-N 2 2 306.498 3.238 20 0 DGADLP CC[C@@H](C)c1nn(C)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001249409614 1105281781 /nfs/dbraw/zinc/28/17/81/1105281781.db2.gz DOQVYPJXXOACIK-OAHLLOKOSA-N 2 2 306.498 3.238 20 0 DGADLP CCN1CCc2ccc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)cc21 ZINC001249671599 1105351559 /nfs/dbraw/zinc/35/15/59/1105351559.db2.gz UPEAIAUBFXVPGJ-UHFFFAOYSA-N 2 2 315.505 3.374 20 0 DGADLP CCN1CCc2ccc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)cc21 ZINC001249671599 1105351564 /nfs/dbraw/zinc/35/15/64/1105351564.db2.gz UPEAIAUBFXVPGJ-UHFFFAOYSA-N 2 2 315.505 3.374 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3OCC)C[C@@H]2C1 ZINC001250186304 1105464038 /nfs/dbraw/zinc/46/40/38/1105464038.db2.gz GVXHOYGTFVWTHF-HDICACEKSA-N 2 2 302.462 3.167 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3OCC)C[C@@H]2C1 ZINC001250186304 1105464040 /nfs/dbraw/zinc/46/40/40/1105464040.db2.gz GVXHOYGTFVWTHF-HDICACEKSA-N 2 2 302.462 3.167 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3OCC)C[C@@H]2C1 ZINC001250186304 1105464043 /nfs/dbraw/zinc/46/40/43/1105464043.db2.gz GVXHOYGTFVWTHF-HDICACEKSA-N 2 2 302.462 3.167 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3OCC)C[C@@H]2C1 ZINC001250186304 1105464044 /nfs/dbraw/zinc/46/40/44/1105464044.db2.gz GVXHOYGTFVWTHF-HDICACEKSA-N 2 2 302.462 3.167 20 0 DGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(F)c1OC ZINC001137510529 1105533179 /nfs/dbraw/zinc/53/31/79/1105533179.db2.gz AGEBFPGKRHVNBM-UHFFFAOYSA-N 2 2 324.440 3.148 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(F)c1OC ZINC001137510529 1105533185 /nfs/dbraw/zinc/53/31/85/1105533185.db2.gz AGEBFPGKRHVNBM-UHFFFAOYSA-N 2 2 324.440 3.148 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N)nc[nH+]1 ZINC001251645965 1105677294 /nfs/dbraw/zinc/67/72/94/1105677294.db2.gz UGPGNMXORIWZRM-CQSZACIVSA-N 2 2 311.433 3.045 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N)nc[nH+]1 ZINC001251645965 1105677298 /nfs/dbraw/zinc/67/72/98/1105677298.db2.gz UGPGNMXORIWZRM-CQSZACIVSA-N 2 2 311.433 3.045 20 0 DGADLP CCCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001252119046 1105743563 /nfs/dbraw/zinc/74/35/63/1105743563.db2.gz REZDMXXWVSYERX-SFHVURJKSA-N 2 2 322.468 3.239 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001252859149 1105844984 /nfs/dbraw/zinc/84/49/84/1105844984.db2.gz BCYSVWKZLHTYIE-MOPGFXCFSA-N 2 2 316.420 3.142 20 0 DGADLP O[C@@]1(CNc2[nH+]cccc2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252920670 1105854974 /nfs/dbraw/zinc/85/49/74/1105854974.db2.gz BGNWXTCBXUJRCD-HXUWFJFHSA-N 2 2 323.440 3.008 20 0 DGADLP O[C@@]1(CNc2[nH+]cccc2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252920670 1105854980 /nfs/dbraw/zinc/85/49/80/1105854980.db2.gz BGNWXTCBXUJRCD-HXUWFJFHSA-N 2 2 323.440 3.008 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001253206023 1105903668 /nfs/dbraw/zinc/90/36/68/1105903668.db2.gz JDEPAEKRUAYVDV-WFASDCNBSA-N 2 2 318.383 3.059 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1F ZINC001253210411 1105904000 /nfs/dbraw/zinc/90/40/00/1105904000.db2.gz MMIQFPBUSXVPBC-QAPCUYQASA-N 2 2 310.457 3.205 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1F ZINC001253407816 1105936443 /nfs/dbraw/zinc/93/64/43/1105936443.db2.gz QGPFYWNYOLVQQM-WMLDXEAASA-N 2 2 310.457 3.252 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC001254506895 1106085005 /nfs/dbraw/zinc/08/50/05/1106085005.db2.gz CHPKISKBEMOXOD-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC001254506895 1106085011 /nfs/dbraw/zinc/08/50/11/1106085011.db2.gz CHPKISKBEMOXOD-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519420 1106090119 /nfs/dbraw/zinc/09/01/19/1106090119.db2.gz IDRWCWQFHSXVSW-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519420 1106090121 /nfs/dbraw/zinc/09/01/21/1106090121.db2.gz IDRWCWQFHSXVSW-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519420 1106090125 /nfs/dbraw/zinc/09/01/25/1106090125.db2.gz IDRWCWQFHSXVSW-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519420 1106090129 /nfs/dbraw/zinc/09/01/29/1106090129.db2.gz IDRWCWQFHSXVSW-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254960492 1106160865 /nfs/dbraw/zinc/16/08/65/1106160865.db2.gz JMGOJPDCWJRKGY-HOTGVXAUSA-N 2 2 309.413 3.062 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254960492 1106160869 /nfs/dbraw/zinc/16/08/69/1106160869.db2.gz JMGOJPDCWJRKGY-HOTGVXAUSA-N 2 2 309.413 3.062 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255125593 1106185357 /nfs/dbraw/zinc/18/53/57/1106185357.db2.gz YNAXPQFLEMAHHK-PMOLBWCYSA-N 3 2 315.505 3.243 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255125593 1106185360 /nfs/dbraw/zinc/18/53/60/1106185360.db2.gz YNAXPQFLEMAHHK-PMOLBWCYSA-N 3 2 315.505 3.243 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255125593 1106185361 /nfs/dbraw/zinc/18/53/61/1106185361.db2.gz YNAXPQFLEMAHHK-PMOLBWCYSA-N 3 2 315.505 3.243 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125593 1106185364 /nfs/dbraw/zinc/18/53/64/1106185364.db2.gz YNAXPQFLEMAHHK-PMOLBWCYSA-N 3 2 315.505 3.243 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147610 1106190580 /nfs/dbraw/zinc/19/05/80/1106190580.db2.gz BDWGTGNUOIWECW-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147610 1106190581 /nfs/dbraw/zinc/19/05/81/1106190581.db2.gz BDWGTGNUOIWECW-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147610 1106190584 /nfs/dbraw/zinc/19/05/84/1106190584.db2.gz BDWGTGNUOIWECW-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001255147610 1106190588 /nfs/dbraw/zinc/19/05/88/1106190588.db2.gz BDWGTGNUOIWECW-REPLKXPHSA-N 2 2 312.457 3.047 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCSC2)CC1 ZINC001255296314 1106217422 /nfs/dbraw/zinc/21/74/22/1106217422.db2.gz SDVNUHMAUPPLSQ-KRWDZBQOSA-N 2 2 308.466 3.227 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCSC2)CC1 ZINC001255296314 1106217423 /nfs/dbraw/zinc/21/74/23/1106217423.db2.gz SDVNUHMAUPPLSQ-KRWDZBQOSA-N 2 2 308.466 3.227 20 0 DGADLP CC1(C)CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001255304210 1106219362 /nfs/dbraw/zinc/21/93/62/1106219362.db2.gz IHNGGEZUGLORMG-IRXDYDNUSA-N 2 2 313.489 3.414 20 0 DGADLP CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408731 1106246204 /nfs/dbraw/zinc/24/62/04/1106246204.db2.gz PTRDGZZSKMLSJU-PMACEKPBSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408731 1106246208 /nfs/dbraw/zinc/24/62/08/1106246208.db2.gz PTRDGZZSKMLSJU-PMACEKPBSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@@H]1CCCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408731 1106246210 /nfs/dbraw/zinc/24/62/10/1106246210.db2.gz PTRDGZZSKMLSJU-PMACEKPBSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408731 1106246214 /nfs/dbraw/zinc/24/62/14/1106246214.db2.gz PTRDGZZSKMLSJU-PMACEKPBSA-N 2 2 314.473 3.485 20 0 DGADLP C[C@H](CC(F)(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255643137 1106282925 /nfs/dbraw/zinc/28/29/25/1106282925.db2.gz LFLXOBRHSOMHEM-JHJVBQTASA-N 2 2 301.356 3.499 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650743 1106285342 /nfs/dbraw/zinc/28/53/42/1106285342.db2.gz HCHCGYQONQJUKW-GJZGRUSLSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650743 1106285344 /nfs/dbraw/zinc/28/53/44/1106285344.db2.gz HCHCGYQONQJUKW-GJZGRUSLSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650743 1106285347 /nfs/dbraw/zinc/28/53/47/1106285347.db2.gz HCHCGYQONQJUKW-GJZGRUSLSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650743 1106285349 /nfs/dbraw/zinc/28/53/49/1106285349.db2.gz HCHCGYQONQJUKW-GJZGRUSLSA-N 2 2 322.415 3.150 20 0 DGADLP C[C@H](CC(F)(F)F)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001255654097 1106286876 /nfs/dbraw/zinc/28/68/76/1106286876.db2.gz YYZYAHOJTDJUPA-UPJWGTAASA-N 2 2 318.408 3.453 20 0 DGADLP C[C@H](CC(F)(F)F)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001255654097 1106286877 /nfs/dbraw/zinc/28/68/77/1106286877.db2.gz YYZYAHOJTDJUPA-UPJWGTAASA-N 2 2 318.408 3.453 20 0 DGADLP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001255654097 1106286878 /nfs/dbraw/zinc/28/68/78/1106286878.db2.gz YYZYAHOJTDJUPA-UPJWGTAASA-N 2 2 318.408 3.453 20 0 DGADLP C[C@H](CC(F)(F)F)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001255654097 1106286879 /nfs/dbraw/zinc/28/68/79/1106286879.db2.gz YYZYAHOJTDJUPA-UPJWGTAASA-N 2 2 318.408 3.453 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001255939699 1106345360 /nfs/dbraw/zinc/34/53/60/1106345360.db2.gz IDOFBMMEOIOYLG-GOSISDBHSA-N 3 2 317.521 3.361 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1c(OC)cccc1OC ZINC001255948141 1106346920 /nfs/dbraw/zinc/34/69/20/1106346920.db2.gz GBRVUSWPZPPJMZ-GJZGRUSLSA-N 2 2 308.466 3.475 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ncccc1OC)C1CC1 ZINC001255953487 1106348934 /nfs/dbraw/zinc/34/89/34/1106348934.db2.gz RRMPXSPDYBQZOF-RHSMWYFYSA-N 2 2 305.466 3.251 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(OC2CCC2)n1 ZINC001255954071 1106349108 /nfs/dbraw/zinc/34/91/08/1106349108.db2.gz RRYXUHDRIAKGHT-HNNXBMFYSA-N 2 2 305.466 3.223 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCOc2c(F)cc(F)cc21 ZINC001255953964 1106349238 /nfs/dbraw/zinc/34/92/38/1106349238.db2.gz XLZWZZYWQXINNJ-MLGOLLRUSA-N 2 2 312.404 3.498 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001255957232 1106349611 /nfs/dbraw/zinc/34/96/11/1106349611.db2.gz QAMCUJTZICGMAC-LSDHHAIUSA-N 2 2 314.470 3.133 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001255957232 1106349614 /nfs/dbraw/zinc/34/96/14/1106349614.db2.gz QAMCUJTZICGMAC-LSDHHAIUSA-N 2 2 314.470 3.133 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001255956440 1106349758 /nfs/dbraw/zinc/34/97/58/1106349758.db2.gz JQBMVIJVROVUHY-MRXNPFEDSA-N 2 2 307.457 3.068 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256072965 1106365465 /nfs/dbraw/zinc/36/54/65/1106365465.db2.gz KOYCGDRIXZCYJZ-UHFFFAOYSA-N 2 2 313.489 3.052 20 0 DGADLP COc1cccc([C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256080130 1106366026 /nfs/dbraw/zinc/36/60/26/1106366026.db2.gz RLQLVRXAHMPOQD-LJQANCHMSA-N 2 2 300.446 3.459 20 0 DGADLP COc1cccc([C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256080130 1106366029 /nfs/dbraw/zinc/36/60/29/1106366029.db2.gz RLQLVRXAHMPOQD-LJQANCHMSA-N 2 2 300.446 3.459 20 0 DGADLP C[NH+]1CCC([NH+]2CCC3(CC2)OCc2ccc(Cl)cc23)CC1 ZINC001256211326 1106390699 /nfs/dbraw/zinc/39/06/99/1106390699.db2.gz UOKAOLLBGMIHLH-UHFFFAOYSA-N 2 2 320.864 3.256 20 0 DGADLP C[NH+]1CCC([NH+]2CCC3(CC2)OC(C)(C)c2ccccc23)CC1 ZINC001256208811 1106390716 /nfs/dbraw/zinc/39/07/16/1106390716.db2.gz PIAFQBBGWOFMEH-UHFFFAOYSA-N 2 2 314.473 3.337 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522152 1106433103 /nfs/dbraw/zinc/43/31/03/1106433103.db2.gz DZYMHBKFAQDFSB-HKUYNNGSSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522152 1106433106 /nfs/dbraw/zinc/43/31/06/1106433106.db2.gz DZYMHBKFAQDFSB-HKUYNNGSSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522152 1106433110 /nfs/dbraw/zinc/43/31/10/1106433110.db2.gz DZYMHBKFAQDFSB-HKUYNNGSSA-N 3 2 303.494 3.100 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256522152 1106433113 /nfs/dbraw/zinc/43/31/13/1106433113.db2.gz DZYMHBKFAQDFSB-HKUYNNGSSA-N 3 2 303.494 3.100 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC3(C2)CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256536490 1106436210 /nfs/dbraw/zinc/43/62/10/1106436210.db2.gz DZRPWJJNBOFGPT-PKOBYXMFSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256536490 1106436211 /nfs/dbraw/zinc/43/62/11/1106436211.db2.gz DZRPWJJNBOFGPT-PKOBYXMFSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537421 1106438027 /nfs/dbraw/zinc/43/80/27/1106438027.db2.gz NXYNOUFHXDBWFE-WMZOPIPTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537421 1106438029 /nfs/dbraw/zinc/43/80/29/1106438029.db2.gz NXYNOUFHXDBWFE-WMZOPIPTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCOCC23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552834 1106440973 /nfs/dbraw/zinc/44/09/73/1106440973.db2.gz DZINTWQACFYLHO-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCOCC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552834 1106440977 /nfs/dbraw/zinc/44/09/77/1106440977.db2.gz DZINTWQACFYLHO-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552834 1106440980 /nfs/dbraw/zinc/44/09/80/1106440980.db2.gz DZINTWQACFYLHO-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552834 1106440983 /nfs/dbraw/zinc/44/09/83/1106440983.db2.gz DZINTWQACFYLHO-PKOBYXMFSA-N 2 2 314.473 3.294 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2C(F)(F)F)CC1 ZINC001256564847 1106445729 /nfs/dbraw/zinc/44/57/29/1106445729.db2.gz WVQJWAARQJZOPK-UHFFFAOYSA-N 2 2 315.383 3.453 20 0 DGADLP CC(C)(C)OC(=O)C1CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256573616 1106448677 /nfs/dbraw/zinc/44/86/77/1106448677.db2.gz LHXQCOTXNADFOR-UHFFFAOYSA-N 2 2 324.509 3.303 20 0 DGADLP COc1cccc2c1CC[C@@H]([N@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001256659258 1106464314 /nfs/dbraw/zinc/46/43/14/1106464314.db2.gz WENHMKGEWWECLX-GOSISDBHSA-N 2 2 316.489 3.357 20 0 DGADLP COc1cccc2c1CC[C@@H]([N@@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001256659258 1106464319 /nfs/dbraw/zinc/46/43/19/1106464319.db2.gz WENHMKGEWWECLX-GOSISDBHSA-N 2 2 316.489 3.357 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793996 1106484857 /nfs/dbraw/zinc/48/48/57/1106484857.db2.gz GBBYRUTZQLDCJQ-UFYCRDLUSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793996 1106484859 /nfs/dbraw/zinc/48/48/59/1106484859.db2.gz GBBYRUTZQLDCJQ-UFYCRDLUSA-N 2 2 314.473 3.371 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256793572 1106485035 /nfs/dbraw/zinc/48/50/35/1106485035.db2.gz BXBDAQWQXQUEDA-FHWLQOOXSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256793572 1106485039 /nfs/dbraw/zinc/48/50/39/1106485039.db2.gz BXBDAQWQXQUEDA-FHWLQOOXSA-N 2 2 302.462 3.227 20 0 DGADLP c1cn2cc(C[NH2+][C@H]3CCO[C@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001256802297 1106487237 /nfs/dbraw/zinc/48/72/37/1106487237.db2.gz AGELOGXQXHFMAY-ROUUACIJSA-N 2 2 307.397 3.344 20 0 DGADLP C[C@@H]1CC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC001257078547 1106534836 /nfs/dbraw/zinc/53/48/36/1106534836.db2.gz NBBBAJYKQMESRK-HLIPFELVSA-N 2 2 316.489 3.239 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)nc(Cl)c2)CC1 ZINC001257205453 1106551057 /nfs/dbraw/zinc/55/10/57/1106551057.db2.gz LHIXHMICIVQARW-UHFFFAOYSA-N 2 2 302.249 3.351 20 0 DGADLP CCC[C@H](CC)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001257261060 1106558465 /nfs/dbraw/zinc/55/84/65/1106558465.db2.gz UPLZBZOOMVJTFB-DLBZAZTESA-N 2 2 317.477 3.378 20 0 DGADLP CCC[C@@H](CC)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001257261072 1106558496 /nfs/dbraw/zinc/55/84/96/1106558496.db2.gz UPLZBZOOMVJTFB-SJORKVTESA-N 2 2 317.477 3.378 20 0 DGADLP CCCC(CCC)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001257338676 1106569836 /nfs/dbraw/zinc/56/98/36/1106569836.db2.gz XNGULJDIFJMLFR-QZTJIDSGSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001257381679 1106577716 /nfs/dbraw/zinc/57/77/16/1106577716.db2.gz RDONBURUDOTZTI-HZPDHXFCSA-N 2 2 310.482 3.105 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001257381679 1106577719 /nfs/dbraw/zinc/57/77/19/1106577719.db2.gz RDONBURUDOTZTI-HZPDHXFCSA-N 2 2 310.482 3.105 20 0 DGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458238 1106593786 /nfs/dbraw/zinc/59/37/86/1106593786.db2.gz YAPXPFFKKGLSCF-HOCLYGCPSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458238 1106593788 /nfs/dbraw/zinc/59/37/88/1106593788.db2.gz YAPXPFFKKGLSCF-HOCLYGCPSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458238 1106593790 /nfs/dbraw/zinc/59/37/90/1106593790.db2.gz YAPXPFFKKGLSCF-HOCLYGCPSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458238 1106593792 /nfs/dbraw/zinc/59/37/92/1106593792.db2.gz YAPXPFFKKGLSCF-HOCLYGCPSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458239 1106594077 /nfs/dbraw/zinc/59/40/77/1106594077.db2.gz YAPXPFFKKGLSCF-ZBFHGGJFSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458239 1106594079 /nfs/dbraw/zinc/59/40/79/1106594079.db2.gz YAPXPFFKKGLSCF-ZBFHGGJFSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458239 1106594083 /nfs/dbraw/zinc/59/40/83/1106594083.db2.gz YAPXPFFKKGLSCF-ZBFHGGJFSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C4CCCCC4)CC[C@@H]32)n1 ZINC001257458239 1106594085 /nfs/dbraw/zinc/59/40/85/1106594085.db2.gz YAPXPFFKKGLSCF-ZBFHGGJFSA-N 2 2 305.491 3.372 20 0 DGADLP COc1c(F)ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1F ZINC001258003625 1106655902 /nfs/dbraw/zinc/65/59/02/1106655902.db2.gz ODDBTPMSHBAXQB-UHFFFAOYSA-N 2 2 312.404 3.183 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](CO)c2cccc(Cl)c2)CC1 ZINC001258003817 1106655965 /nfs/dbraw/zinc/65/59/65/1106655965.db2.gz UXXRFDUYLJBIOP-QGZVFWFLSA-N 2 2 310.869 3.083 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2COc3ccc(Cl)cc32)CC1 ZINC001258008456 1106657467 /nfs/dbraw/zinc/65/74/67/1106657467.db2.gz ULWGPTVIVKEBBD-INIZCTEOSA-N 2 2 308.853 3.484 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258159770 1106683323 /nfs/dbraw/zinc/68/33/23/1106683323.db2.gz NFGYRCCMGUEIHQ-FNPVLLODSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258159770 1106683325 /nfs/dbraw/zinc/68/33/25/1106683325.db2.gz NFGYRCCMGUEIHQ-FNPVLLODSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258159770 1106683328 /nfs/dbraw/zinc/68/33/28/1106683328.db2.gz NFGYRCCMGUEIHQ-FNPVLLODSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C[C@@H](C)C1 ZINC001258159770 1106683331 /nfs/dbraw/zinc/68/33/31/1106683331.db2.gz NFGYRCCMGUEIHQ-FNPVLLODSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H](C)C1 ZINC001258160717 1106683553 /nfs/dbraw/zinc/68/35/53/1106683553.db2.gz VXKZEIDHFNZOSF-KBPBESRZSA-N 2 2 314.433 3.102 20 0 DGADLP C[C@@H]1CC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H](C)C1 ZINC001258160717 1106683557 /nfs/dbraw/zinc/68/35/57/1106683557.db2.gz VXKZEIDHFNZOSF-KBPBESRZSA-N 2 2 314.433 3.102 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CCSC ZINC001258213575 1106698224 /nfs/dbraw/zinc/69/82/24/1106698224.db2.gz SKPHMXWXBGTFSC-CGTJXYLNSA-N 2 2 322.518 3.007 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CCSC ZINC001258213575 1106698225 /nfs/dbraw/zinc/69/82/25/1106698225.db2.gz SKPHMXWXBGTFSC-CGTJXYLNSA-N 2 2 322.518 3.007 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001258394216 1106729410 /nfs/dbraw/zinc/72/94/10/1106729410.db2.gz FGIQUWNQIUXHTF-LPHOPBHVSA-N 2 2 316.489 3.480 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)cc1 ZINC001258394216 1106729414 /nfs/dbraw/zinc/72/94/14/1106729414.db2.gz FGIQUWNQIUXHTF-LPHOPBHVSA-N 2 2 316.489 3.480 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CC3CC3)CC2)cc1 ZINC001258449033 1106751775 /nfs/dbraw/zinc/75/17/75/1106751775.db2.gz SONXMLYKJATEKD-HNNXBMFYSA-N 2 2 302.462 3.438 20 0 DGADLP CCOC(=O)CC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258498664 1106780379 /nfs/dbraw/zinc/78/03/79/1106780379.db2.gz DNQBHSVKQAPTFO-HNNXBMFYSA-N 2 2 310.482 3.057 20 0 DGADLP CCOC(=O)CC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258498664 1106780393 /nfs/dbraw/zinc/78/03/93/1106780393.db2.gz DNQBHSVKQAPTFO-HNNXBMFYSA-N 2 2 310.482 3.057 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC001258507108 1106787588 /nfs/dbraw/zinc/78/75/88/1106787588.db2.gz SUVJXSVIUVCWKP-SFHVURJKSA-N 2 2 315.505 3.365 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC001258507108 1106787599 /nfs/dbraw/zinc/78/75/99/1106787599.db2.gz SUVJXSVIUVCWKP-SFHVURJKSA-N 2 2 315.505 3.365 20 0 DGADLP CC1(C)COC2(CCC([NH2+]CC[NH+]3CCCCCC3)CC2)OC1 ZINC001258518327 1106794469 /nfs/dbraw/zinc/79/44/69/1106794469.db2.gz IEZITCICPQMYJB-UHFFFAOYSA-N 2 2 324.509 3.164 20 0 DGADLP Clc1ccccc1N1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC001258533849 1106803482 /nfs/dbraw/zinc/80/34/82/1106803482.db2.gz BTEOMLAPPFVHFA-UHFFFAOYSA-N 2 2 318.852 3.185 20 0 DGADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258535436 1106804332 /nfs/dbraw/zinc/80/43/32/1106804332.db2.gz JANHBRRDLUVEDO-HNNXBMFYSA-N 2 2 321.896 3.383 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258707357 1106922366 /nfs/dbraw/zinc/92/23/66/1106922366.db2.gz GEWBRBSQFXSPHK-HXUWFJFHSA-N 3 2 319.537 3.390 20 0 DGADLP CCCC[C@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258707357 1106922372 /nfs/dbraw/zinc/92/23/72/1106922372.db2.gz GEWBRBSQFXSPHK-HXUWFJFHSA-N 3 2 319.537 3.390 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2c(OC)cccc2OC)CC1 ZINC001258768324 1106963484 /nfs/dbraw/zinc/96/34/84/1106963484.db2.gz IPFDZMFYZXFEJE-AWEZNQCLSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](c2ccncc2OC)C2CC2)CC1 ZINC001258771761 1106967338 /nfs/dbraw/zinc/96/73/38/1106967338.db2.gz SWELYAZDIKYRHO-SFHVURJKSA-N 2 2 303.450 3.005 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001258883620 1107036485 /nfs/dbraw/zinc/03/64/85/1107036485.db2.gz IHURXHSNIHYHJB-WBVHZDCISA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001258883620 1107036496 /nfs/dbraw/zinc/03/64/96/1107036496.db2.gz IHURXHSNIHYHJB-WBVHZDCISA-N 2 2 304.478 3.336 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001320535726 1107046225 /nfs/dbraw/zinc/04/62/25/1107046225.db2.gz MMYWZKIQEVLEKA-KGLIPLIRSA-N 2 2 307.869 3.122 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001320535726 1107046238 /nfs/dbraw/zinc/04/62/38/1107046238.db2.gz MMYWZKIQEVLEKA-KGLIPLIRSA-N 2 2 307.869 3.122 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258909496 1107055152 /nfs/dbraw/zinc/05/51/52/1107055152.db2.gz FKUREBBQLPCWQU-KRWDZBQOSA-N 3 2 319.493 3.435 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636515 1107080341 /nfs/dbraw/zinc/08/03/41/1107080341.db2.gz IIESSUUCZOKQGD-CQSZACIVSA-N 2 2 309.885 3.180 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636515 1107080352 /nfs/dbraw/zinc/08/03/52/1107080352.db2.gz IIESSUUCZOKQGD-CQSZACIVSA-N 2 2 309.885 3.180 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636515 1107080366 /nfs/dbraw/zinc/08/03/66/1107080366.db2.gz IIESSUUCZOKQGD-CQSZACIVSA-N 2 2 309.885 3.180 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N(C)C)C1 ZINC001320636515 1107080381 /nfs/dbraw/zinc/08/03/81/1107080381.db2.gz IIESSUUCZOKQGD-CQSZACIVSA-N 2 2 309.885 3.180 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001321761782 1107429071 /nfs/dbraw/zinc/42/90/71/1107429071.db2.gz AKDDJBLQDRBADC-UHFFFAOYSA-N 2 2 304.478 3.488 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc(F)n2)[nH+]1 ZINC001261637794 1107488010 /nfs/dbraw/zinc/48/80/10/1107488010.db2.gz GONCWRFJVWFPNN-OAHLLOKOSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc(F)n2)[nH+]1 ZINC001261637794 1107488015 /nfs/dbraw/zinc/48/80/15/1107488015.db2.gz GONCWRFJVWFPNN-OAHLLOKOSA-N 2 2 300.381 3.001 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001261813501 1107534611 /nfs/dbraw/zinc/53/46/11/1107534611.db2.gz WDNCORLLJNSIIO-KRWDZBQOSA-N 2 2 323.444 3.478 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC001262364898 1107696357 /nfs/dbraw/zinc/69/63/57/1107696357.db2.gz LRRFPQBFZMPHHI-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC001262364898 1107696365 /nfs/dbraw/zinc/69/63/65/1107696365.db2.gz LRRFPQBFZMPHHI-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC001262563115 1107725035 /nfs/dbraw/zinc/72/50/35/1107725035.db2.gz VQVBVRUKQJAEPR-HOTGVXAUSA-N 2 2 321.852 3.274 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC001322869263 1107772199 /nfs/dbraw/zinc/77/21/99/1107772199.db2.gz PKJNMQDZPDMCSP-UHFFFAOYSA-N 2 2 317.352 3.309 20 0 DGADLP C[C@@H]1CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000378876835 1107998432 /nfs/dbraw/zinc/99/84/32/1107998432.db2.gz BEEQOCIYRZAVKI-GPMSIDNRSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(F)c(C)c1 ZINC001318491899 1108053753 /nfs/dbraw/zinc/05/37/53/1108053753.db2.gz VMWUUVDMYIEXJB-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP CCC(CC)C[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318543475 1108088709 /nfs/dbraw/zinc/08/87/09/1108088709.db2.gz XPEANHVAUDKOIR-HNNXBMFYSA-N 2 2 316.449 3.097 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000386118323 1108434844 /nfs/dbraw/zinc/43/48/44/1108434844.db2.gz MHDQUKRQCOLPJO-LBPRGKRZSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000386118323 1108434848 /nfs/dbraw/zinc/43/48/48/1108434848.db2.gz MHDQUKRQCOLPJO-LBPRGKRZSA-N 2 2 315.230 3.149 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccncc2F)[nH+]1 ZINC001324992248 1108552971 /nfs/dbraw/zinc/55/29/71/1108552971.db2.gz JZEYFPDJWILOPY-HNNXBMFYSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccncc2F)[nH+]1 ZINC001324992248 1108552982 /nfs/dbraw/zinc/55/29/82/1108552982.db2.gz JZEYFPDJWILOPY-HNNXBMFYSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n[nH]1 ZINC001319716048 1108607451 /nfs/dbraw/zinc/60/74/51/1108607451.db2.gz SJHWTPTUNDCQCL-MRXNPFEDSA-N 2 2 304.482 3.195 20 0 DGADLP Cc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n[nH]1 ZINC001319716048 1108607458 /nfs/dbraw/zinc/60/74/58/1108607458.db2.gz SJHWTPTUNDCQCL-MRXNPFEDSA-N 2 2 304.482 3.195 20 0 DGADLP COCc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319947695 1108709299 /nfs/dbraw/zinc/70/92/99/1108709299.db2.gz BJZSZVRQRRVWLL-OAHLLOKOSA-N 2 2 315.417 3.206 20 0 DGADLP COCc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319947695 1108709305 /nfs/dbraw/zinc/70/93/05/1108709305.db2.gz BJZSZVRQRRVWLL-OAHLLOKOSA-N 2 2 315.417 3.206 20 0 DGADLP CCCCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001265440054 1108871829 /nfs/dbraw/zinc/87/18/29/1108871829.db2.gz CAPKSZLWVYBXBW-INIZCTEOSA-N 2 2 303.450 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]C/C=C/Cl)c(C)[nH+]1 ZINC001283205060 1109603390 /nfs/dbraw/zinc/60/33/90/1109603390.db2.gz NWFFMBLGCYSRJM-CFNZNRNTSA-N 2 2 323.868 3.247 20 0 DGADLP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CCCC(C)(C)C ZINC001283676453 1109671747 /nfs/dbraw/zinc/67/17/47/1109671747.db2.gz AFQZWFVZVFGQHD-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP CC(C)C[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580579 1111316738 /nfs/dbraw/zinc/31/67/38/1111316738.db2.gz YOVVSCBKLGYQPT-LJQANCHMSA-N 2 2 320.521 3.483 20 0 DGADLP CC(C)C[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580579 1111316740 /nfs/dbraw/zinc/31/67/40/1111316740.db2.gz YOVVSCBKLGYQPT-LJQANCHMSA-N 2 2 320.521 3.483 20 0 DGADLP CC(C)C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580579 1111316742 /nfs/dbraw/zinc/31/67/42/1111316742.db2.gz YOVVSCBKLGYQPT-LJQANCHMSA-N 2 2 320.521 3.483 20 0 DGADLP CC(C)C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001307580579 1111316745 /nfs/dbraw/zinc/31/67/45/1111316745.db2.gz YOVVSCBKLGYQPT-LJQANCHMSA-N 2 2 320.521 3.483 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC001307687202 1111327376 /nfs/dbraw/zinc/32/73/76/1111327376.db2.gz YJZLHNBBHNALFD-DFQSSKMNSA-N 2 2 318.505 3.380 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC001307687202 1111327379 /nfs/dbraw/zinc/32/73/79/1111327379.db2.gz YJZLHNBBHNALFD-DFQSSKMNSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC001307687202 1111327384 /nfs/dbraw/zinc/32/73/84/1111327384.db2.gz YJZLHNBBHNALFD-DFQSSKMNSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC001307687202 1111327387 /nfs/dbraw/zinc/32/73/87/1111327387.db2.gz YJZLHNBBHNALFD-DFQSSKMNSA-N 2 2 318.505 3.380 20 0 DGADLP c1ccc(C[N@@H+]2CCC[NH+](C3CCCC3)CCOCC2)cc1 ZINC001308107762 1111378625 /nfs/dbraw/zinc/37/86/25/1111378625.db2.gz XDLUZZQPYOCOBV-UHFFFAOYSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCC[NH+](C3CCCC3)CCOCC2)cc1 ZINC001308107762 1111378630 /nfs/dbraw/zinc/37/86/30/1111378630.db2.gz XDLUZZQPYOCOBV-UHFFFAOYSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[N@@H+](C3CCCC3)CCOCC2)cc1 ZINC001308107762 1111378633 /nfs/dbraw/zinc/37/86/33/1111378633.db2.gz XDLUZZQPYOCOBV-UHFFFAOYSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[N@H+](C3CCCC3)CCOCC2)cc1 ZINC001308107762 1111378638 /nfs/dbraw/zinc/37/86/38/1111378638.db2.gz XDLUZZQPYOCOBV-UHFFFAOYSA-N 2 2 302.462 3.154 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001308165541 1111388345 /nfs/dbraw/zinc/38/83/45/1111388345.db2.gz OOSRGYLVCNVFDB-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001308165541 1111388348 /nfs/dbraw/zinc/38/83/48/1111388348.db2.gz OOSRGYLVCNVFDB-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC001308167625 1111389432 /nfs/dbraw/zinc/38/94/32/1111389432.db2.gz HLCDSXRCBGUSMA-MRXNPFEDSA-N 2 2 303.450 3.091 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC001308194393 1111394312 /nfs/dbraw/zinc/39/43/12/1111394312.db2.gz CDUUNNLUROOUJH-MOPGFXCFSA-N 2 2 318.505 3.487 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC001308209450 1111398160 /nfs/dbraw/zinc/39/81/60/1111398160.db2.gz YFQSRLOAGJTQCJ-UHFFFAOYSA-N 2 2 307.507 3.405 20 0 DGADLP c1ccc(NCCCC[NH2+]C[C@H]2CCOc3ccccc32)[nH+]c1 ZINC001308243830 1111403847 /nfs/dbraw/zinc/40/38/47/1111403847.db2.gz CKYBKWMDCXMRDX-MRXNPFEDSA-N 2 2 311.429 3.430 20 0 DGADLP CC[NH+]1CCC(n2nccc2NCc2cc(C)[nH+]c(C)c2)CC1 ZINC001308244532 1111403854 /nfs/dbraw/zinc/40/38/54/1111403854.db2.gz PJQSLIVADOXUSO-UHFFFAOYSA-N 2 2 313.449 3.164 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001308425935 1111427930 /nfs/dbraw/zinc/42/79/30/1111427930.db2.gz XRQNWAMTQXQEQX-UHFFFAOYSA-N 2 2 310.376 3.064 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485859 1111434178 /nfs/dbraw/zinc/43/41/78/1111434178.db2.gz JXBVHJQRFKDNLJ-MJRGOJFPSA-N 2 2 316.489 3.060 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485859 1111434182 /nfs/dbraw/zinc/43/41/82/1111434182.db2.gz JXBVHJQRFKDNLJ-MJRGOJFPSA-N 2 2 316.489 3.060 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485833 1111434367 /nfs/dbraw/zinc/43/43/67/1111434367.db2.gz JXBVHJQRFKDNLJ-DKFQHHCZSA-N 2 2 316.489 3.060 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c(C)c1 ZINC001308485833 1111434371 /nfs/dbraw/zinc/43/43/71/1111434371.db2.gz JXBVHJQRFKDNLJ-DKFQHHCZSA-N 2 2 316.489 3.060 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@@H]2C1 ZINC001308552378 1111442183 /nfs/dbraw/zinc/44/21/83/1111442183.db2.gz BUBAMOZCEKYXNN-XHSDSOJGSA-N 2 2 313.470 3.240 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@@H]2C1 ZINC001308552378 1111442184 /nfs/dbraw/zinc/44/21/84/1111442184.db2.gz BUBAMOZCEKYXNN-XHSDSOJGSA-N 2 2 313.470 3.240 20 0 DGADLP Cc1cc(N[C@H]2CCC[N@H+](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC001308636349 1111454092 /nfs/dbraw/zinc/45/40/92/1111454092.db2.gz ZGSXYZRATRJXBR-CVEARBPZSA-N 2 2 302.466 3.275 20 0 DGADLP Cc1cc(N[C@H]2CCC[N@@H+](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC001308636349 1111454094 /nfs/dbraw/zinc/45/40/94/1111454094.db2.gz ZGSXYZRATRJXBR-CVEARBPZSA-N 2 2 302.466 3.275 20 0 DGADLP Cc1cc(N[C@@H]2CCC[N@H+](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC001308636351 1111454185 /nfs/dbraw/zinc/45/41/85/1111454185.db2.gz ZGSXYZRATRJXBR-HZPDHXFCSA-N 2 2 302.466 3.275 20 0 DGADLP Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC001308636351 1111454186 /nfs/dbraw/zinc/45/41/86/1111454186.db2.gz ZGSXYZRATRJXBR-HZPDHXFCSA-N 2 2 302.466 3.275 20 0 DGADLP CCC[N@H+](C)[C@@H](CN[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759427 1111471534 /nfs/dbraw/zinc/47/15/34/1111471534.db2.gz DCJUECRQWMXVIZ-MSOLQXFVSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[N@@H+](C)[C@@H](CN[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759427 1111471536 /nfs/dbraw/zinc/47/15/36/1111471536.db2.gz DCJUECRQWMXVIZ-MSOLQXFVSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@@H](CN[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759427 1111471538 /nfs/dbraw/zinc/47/15/38/1111471538.db2.gz DCJUECRQWMXVIZ-MSOLQXFVSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@@H](CN[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759427 1111471540 /nfs/dbraw/zinc/47/15/40/1111471540.db2.gz DCJUECRQWMXVIZ-MSOLQXFVSA-N 2 2 323.912 3.407 20 0 DGADLP CC(C)Cc1ncc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)s1 ZINC001308983133 1111504623 /nfs/dbraw/zinc/50/46/23/1111504623.db2.gz LTELFGYWHGTGCZ-UHFFFAOYSA-N 2 2 318.490 3.455 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001308984308 1111505433 /nfs/dbraw/zinc/50/54/33/1111505433.db2.gz YOWDPWHMNRTAMH-HNNXBMFYSA-N 2 2 314.433 3.118 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001308984308 1111505437 /nfs/dbraw/zinc/50/54/37/1111505437.db2.gz YOWDPWHMNRTAMH-HNNXBMFYSA-N 2 2 314.433 3.118 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456335 214164646 /nfs/dbraw/zinc/16/46/46/214164646.db2.gz ITNDMUFCZAYYOH-SUMWQHHRSA-N 2 2 324.415 3.043 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456335 214164648 /nfs/dbraw/zinc/16/46/48/214164648.db2.gz ITNDMUFCZAYYOH-SUMWQHHRSA-N 2 2 324.415 3.043 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H]3CCSC3)c(C)c2)CC1 ZINC000278462025 214169144 /nfs/dbraw/zinc/16/91/44/214169144.db2.gz XWVRYOWBNLAWAK-MRXNPFEDSA-N 2 2 319.518 3.302 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000309776982 231103652 /nfs/dbraw/zinc/10/36/52/231103652.db2.gz JLEGRVILPGZOJJ-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309776982 231103654 /nfs/dbraw/zinc/10/36/54/231103654.db2.gz JLEGRVILPGZOJJ-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000328605754 231242956 /nfs/dbraw/zinc/24/29/56/231242956.db2.gz OZJVPLPYLWEAPV-MRXNPFEDSA-N 2 2 317.458 3.189 20 0 DGADLP Cc1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000328605754 231242957 /nfs/dbraw/zinc/24/29/57/231242957.db2.gz OZJVPLPYLWEAPV-MRXNPFEDSA-N 2 2 317.458 3.189 20 0 DGADLP CCc1cc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc(C)[nH+]1 ZINC000302044378 529532829 /nfs/dbraw/zinc/53/28/29/529532829.db2.gz JTVJBVSAVDHELO-QGZVFWFLSA-N 2 2 316.493 3.296 20 0 DGADLP CCc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302032226 529531837 /nfs/dbraw/zinc/53/18/37/529531837.db2.gz CMMMRVFIXJAOFL-WBVHZDCISA-N 2 2 316.493 3.438 20 0 DGADLP CCc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302032226 529531839 /nfs/dbraw/zinc/53/18/39/529531839.db2.gz CMMMRVFIXJAOFL-WBVHZDCISA-N 2 2 316.493 3.438 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422843595 529628531 /nfs/dbraw/zinc/62/85/31/529628531.db2.gz IVOWJAXPMRWFEZ-ROUUACIJSA-N 2 2 311.429 3.494 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000423189092 529670532 /nfs/dbraw/zinc/67/05/32/529670532.db2.gz MFXXSVMRALYTDN-KBPBESRZSA-N 2 2 315.230 3.381 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]C2CC(OC(C)C)C2)[NH+](C)C)cc1 ZINC000428253925 529709194 /nfs/dbraw/zinc/70/91/94/529709194.db2.gz AGYYLVFNTLGDSD-CTWPCTMYSA-N 2 2 304.478 3.397 20 0 DGADLP C[N@H+](CC[NH2+][C@H](CCCO)c1ccccc1)Cc1ccccc1 ZINC000295012749 529917742 /nfs/dbraw/zinc/91/77/42/529917742.db2.gz PMVGUKZDIVAQHP-HXUWFJFHSA-N 2 2 312.457 3.222 20 0 DGADLP C[N@@H+](CC[NH2+][C@H](CCCO)c1ccccc1)Cc1ccccc1 ZINC000295012749 529917744 /nfs/dbraw/zinc/91/77/44/529917744.db2.gz PMVGUKZDIVAQHP-HXUWFJFHSA-N 2 2 312.457 3.222 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930841 529930177 /nfs/dbraw/zinc/93/01/77/529930177.db2.gz YYBNLKQVWQVPLW-DLBZAZTESA-N 2 2 316.445 3.272 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930841 529930179 /nfs/dbraw/zinc/93/01/79/529930179.db2.gz YYBNLKQVWQVPLW-DLBZAZTESA-N 2 2 316.445 3.272 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930841 529930181 /nfs/dbraw/zinc/93/01/81/529930181.db2.gz YYBNLKQVWQVPLW-DLBZAZTESA-N 2 2 316.445 3.272 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930841 529930182 /nfs/dbraw/zinc/93/01/82/529930182.db2.gz YYBNLKQVWQVPLW-DLBZAZTESA-N 2 2 316.445 3.272 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000430612192 529988453 /nfs/dbraw/zinc/98/84/53/529988453.db2.gz RCFJHPNGUZPHGQ-ZDUSSCGKSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC000430612192 529988454 /nfs/dbraw/zinc/98/84/54/529988454.db2.gz RCFJHPNGUZPHGQ-ZDUSSCGKSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430622253 530001752 /nfs/dbraw/zinc/00/17/52/530001752.db2.gz FUOOEGJHLGAYPG-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430622253 530001754 /nfs/dbraw/zinc/00/17/54/530001754.db2.gz FUOOEGJHLGAYPG-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)CC(C)(C)C[NH3+] ZINC000430590736 530015364 /nfs/dbraw/zinc/01/53/64/530015364.db2.gz LWQOJEBWKZYQCO-UHFFFAOYSA-N 2 2 315.248 3.058 20 0 DGADLP C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)CC(C)(C)C[NH3+] ZINC000430590736 530015365 /nfs/dbraw/zinc/01/53/65/530015365.db2.gz LWQOJEBWKZYQCO-UHFFFAOYSA-N 2 2 315.248 3.058 20 0 DGADLP C[N@H+](Cc1csc(-c2ccccc2F)n1)CC(C)(C)C[NH3+] ZINC000430577904 530019062 /nfs/dbraw/zinc/01/90/62/530019062.db2.gz YAHRIYJTDCNGJO-UHFFFAOYSA-N 2 2 307.438 3.366 20 0 DGADLP C[N@@H+](Cc1csc(-c2ccccc2F)n1)CC(C)(C)C[NH3+] ZINC000430577904 530019065 /nfs/dbraw/zinc/01/90/65/530019065.db2.gz YAHRIYJTDCNGJO-UHFFFAOYSA-N 2 2 307.438 3.366 20 0 DGADLP C[N@H+](Cc1nc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435438764 530021492 /nfs/dbraw/zinc/02/14/92/530021492.db2.gz RCMFZPIZKDANED-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435438764 530021493 /nfs/dbraw/zinc/02/14/93/530021493.db2.gz RCMFZPIZKDANED-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785419 530064333 /nfs/dbraw/zinc/06/43/33/530064333.db2.gz JDMZIDAVEPFVCU-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785419 530064334 /nfs/dbraw/zinc/06/43/34/530064334.db2.gz JDMZIDAVEPFVCU-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785419 530064335 /nfs/dbraw/zinc/06/43/35/530064335.db2.gz JDMZIDAVEPFVCU-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCC(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000321785419 530064336 /nfs/dbraw/zinc/06/43/36/530064336.db2.gz JDMZIDAVEPFVCU-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049297 530065058 /nfs/dbraw/zinc/06/50/58/530065058.db2.gz TUSCBBVVULSNKD-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049297 530065059 /nfs/dbraw/zinc/06/50/59/530065059.db2.gz TUSCBBVVULSNKD-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049297 530065060 /nfs/dbraw/zinc/06/50/60/530065060.db2.gz TUSCBBVVULSNKD-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)C1 ZINC000293049297 530065061 /nfs/dbraw/zinc/06/50/61/530065061.db2.gz TUSCBBVVULSNKD-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccs2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764042 530024875 /nfs/dbraw/zinc/02/48/75/530024875.db2.gz DVZFKWIYZZZDBA-FUNVUKJBSA-N 2 2 303.431 3.118 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccs2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764042 530024876 /nfs/dbraw/zinc/02/48/76/530024876.db2.gz DVZFKWIYZZZDBA-FUNVUKJBSA-N 2 2 303.431 3.118 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415057870 530036756 /nfs/dbraw/zinc/03/67/56/530036756.db2.gz UQPHLCKQXILEDX-KRWDZBQOSA-N 2 2 312.461 3.313 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666184 210071658 /nfs/dbraw/zinc/07/16/58/210071658.db2.gz SEMXENHGYSWRPS-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666184 210071659 /nfs/dbraw/zinc/07/16/59/210071659.db2.gz SEMXENHGYSWRPS-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666184 210071661 /nfs/dbraw/zinc/07/16/61/210071661.db2.gz SEMXENHGYSWRPS-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)[C@@H]2C1 ZINC000272666184 210071662 /nfs/dbraw/zinc/07/16/62/210071662.db2.gz SEMXENHGYSWRPS-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000272661847 210067301 /nfs/dbraw/zinc/06/73/01/210067301.db2.gz RNHNHFZEULHGSJ-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000272661847 210067305 /nfs/dbraw/zinc/06/73/05/210067305.db2.gz RNHNHFZEULHGSJ-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000272661847 210067308 /nfs/dbraw/zinc/06/73/08/210067308.db2.gz RNHNHFZEULHGSJ-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000272661847 210067312 /nfs/dbraw/zinc/06/73/12/210067312.db2.gz RNHNHFZEULHGSJ-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CC(C)n1nccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279759486 215120941 /nfs/dbraw/zinc/12/09/41/215120941.db2.gz ZPYGEQYQRAGLOP-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1nccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279759486 215120948 /nfs/dbraw/zinc/12/09/48/215120948.db2.gz ZPYGEQYQRAGLOP-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1nccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279759486 215120950 /nfs/dbraw/zinc/12/09/50/215120950.db2.gz ZPYGEQYQRAGLOP-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP CC(C)n1nccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279759486 215120952 /nfs/dbraw/zinc/12/09/52/215120952.db2.gz ZPYGEQYQRAGLOP-KDURUIRLSA-N 2 2 324.472 3.028 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000139869625 186024406 /nfs/dbraw/zinc/02/44/06/186024406.db2.gz HTDLWIMIDWVYHE-YOEHRIQHSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000139869625 186024408 /nfs/dbraw/zinc/02/44/08/186024408.db2.gz HTDLWIMIDWVYHE-YOEHRIQHSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000139869625 186024410 /nfs/dbraw/zinc/02/44/10/186024410.db2.gz HTDLWIMIDWVYHE-YOEHRIQHSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000139869625 186024412 /nfs/dbraw/zinc/02/44/12/186024412.db2.gz HTDLWIMIDWVYHE-YOEHRIQHSA-N 2 2 308.853 3.265 20 0 DGADLP CC(C)(C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000164067277 186147936 /nfs/dbraw/zinc/14/79/36/186147936.db2.gz VCXRYEUBZLIVQG-KRWDZBQOSA-N 2 2 324.896 3.301 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000155868261 186118624 /nfs/dbraw/zinc/11/86/24/186118624.db2.gz XUFJZKYMKLMMRN-MPGHIAIKSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000155868261 186118626 /nfs/dbraw/zinc/11/86/26/186118626.db2.gz XUFJZKYMKLMMRN-MPGHIAIKSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000155868378 186119609 /nfs/dbraw/zinc/11/96/09/186119609.db2.gz XUFJZKYMKLMMRN-HDMKZQKVSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000155868378 186119610 /nfs/dbraw/zinc/11/96/10/186119610.db2.gz XUFJZKYMKLMMRN-HDMKZQKVSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)nc(C2CC2)[nH+]1 ZINC000172014550 198026192 /nfs/dbraw/zinc/02/61/92/198026192.db2.gz GISAOLRIMINOPH-UHFFFAOYSA-N 2 2 323.444 3.134 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277135943 213319119 /nfs/dbraw/zinc/31/91/19/213319119.db2.gz IRPCWZRVJSRYGY-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277135943 213319121 /nfs/dbraw/zinc/31/91/21/213319121.db2.gz IRPCWZRVJSRYGY-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471778177 535215112 /nfs/dbraw/zinc/21/51/12/535215112.db2.gz CSTDZQLRHNHHLD-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471778177 535215115 /nfs/dbraw/zinc/21/51/15/535215115.db2.gz CSTDZQLRHNHHLD-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CS1 ZINC000277087958 213283419 /nfs/dbraw/zinc/28/34/19/213283419.db2.gz GDQMKHZSCSTVMW-ROUUACIJSA-N 2 2 319.518 3.166 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000277065940 213272837 /nfs/dbraw/zinc/27/28/37/213272837.db2.gz DKJYRKFWXJLTCC-AWEZNQCLSA-N 2 2 314.832 3.274 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000277065940 213272841 /nfs/dbraw/zinc/27/28/41/213272841.db2.gz DKJYRKFWXJLTCC-AWEZNQCLSA-N 2 2 314.832 3.274 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000163843039 432042758 /nfs/dbraw/zinc/04/27/58/432042758.db2.gz IFXVTOUSGGEQDA-ZDUSSCGKSA-N 2 2 302.447 3.316 20 0 DGADLP C([NH2+]C(C1CC1)C1CC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000164391954 432047403 /nfs/dbraw/zinc/04/74/03/432047403.db2.gz PGFMCIFGLRKNSL-UHFFFAOYSA-N 2 2 306.494 3.047 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000080963608 192206455 /nfs/dbraw/zinc/20/64/55/192206455.db2.gz NZNWIROMFBDLAY-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000080963608 192206459 /nfs/dbraw/zinc/20/64/59/192206459.db2.gz NZNWIROMFBDLAY-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000166297408 432060154 /nfs/dbraw/zinc/06/01/54/432060154.db2.gz UROGTQAMRQTWPJ-KEYYUXOJSA-N 2 2 318.461 3.117 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000166297408 432060157 /nfs/dbraw/zinc/06/01/57/432060157.db2.gz UROGTQAMRQTWPJ-KEYYUXOJSA-N 2 2 318.461 3.117 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332524 283210353 /nfs/dbraw/zinc/21/03/53/283210353.db2.gz HEVQLFSVSWLYFP-UHFFFAOYSA-N 2 2 306.454 3.060 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617552 432070128 /nfs/dbraw/zinc/07/01/28/432070128.db2.gz NEYUKOXRWKNFFK-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617552 432070131 /nfs/dbraw/zinc/07/01/31/432070131.db2.gz NEYUKOXRWKNFFK-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP CCc1ccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3C)CCO2)cc1 ZINC000276729299 213071644 /nfs/dbraw/zinc/07/16/44/213071644.db2.gz BLMQANFQLDDHBV-IBGZPJMESA-N 2 2 313.445 3.218 20 0 DGADLP CCc1ccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3C)CCO2)cc1 ZINC000276729299 213071646 /nfs/dbraw/zinc/07/16/46/213071646.db2.gz BLMQANFQLDDHBV-IBGZPJMESA-N 2 2 313.445 3.218 20 0 DGADLP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000179842174 199086961 /nfs/dbraw/zinc/08/69/61/199086961.db2.gz PAAUYRDGGHTVSO-UHFFFAOYSA-N 2 2 324.428 3.048 20 0 DGADLP Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc(C2CC2)[nH+]1 ZINC000180042894 199111221 /nfs/dbraw/zinc/11/12/21/199111221.db2.gz NQNGGZBZAWINRV-UHFFFAOYSA-N 2 2 323.444 3.386 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000181106805 199253435 /nfs/dbraw/zinc/25/34/35/199253435.db2.gz MSDIBUBHPSAFQA-MJVIPROJSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000181106805 199253436 /nfs/dbraw/zinc/25/34/36/199253436.db2.gz MSDIBUBHPSAFQA-MJVIPROJSA-N 2 2 317.260 3.099 20 0 DGADLP CC[C@@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC[NH2+]1 ZINC000134589296 432081068 /nfs/dbraw/zinc/08/10/68/432081068.db2.gz DANSYDYPYPVENG-SFHVURJKSA-N 2 2 312.417 3.301 20 0 DGADLP COC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000180199345 432081395 /nfs/dbraw/zinc/08/13/95/432081395.db2.gz UIUUDQPRVIZLED-UHFFFAOYSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180225850 432082052 /nfs/dbraw/zinc/08/20/52/432082052.db2.gz QTHHAXWBWWWQRC-TZMCWYRMSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000180225850 432082054 /nfs/dbraw/zinc/08/20/54/432082054.db2.gz QTHHAXWBWWWQRC-TZMCWYRMSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)sc2C1 ZINC000415054350 237037256 /nfs/dbraw/zinc/03/72/56/237037256.db2.gz PTEZGFGIAROURO-FMKPAKJESA-N 2 2 319.518 3.232 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)sc2C1 ZINC000415054350 237037263 /nfs/dbraw/zinc/03/72/63/237037263.db2.gz PTEZGFGIAROURO-FMKPAKJESA-N 2 2 319.518 3.232 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415059828 237042743 /nfs/dbraw/zinc/04/27/43/237042743.db2.gz XOYPSNXOWILYIZ-SJLPKXTDSA-N 2 2 311.429 3.306 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415059828 237042753 /nfs/dbraw/zinc/04/27/53/237042753.db2.gz XOYPSNXOWILYIZ-SJLPKXTDSA-N 2 2 311.429 3.306 20 0 DGADLP C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415139489 237107288 /nfs/dbraw/zinc/10/72/88/237107288.db2.gz XCHAKNGZXYGBLQ-PKOBYXMFSA-N 3 2 315.505 3.148 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1c1ccccc1F ZINC000415122436 237094368 /nfs/dbraw/zinc/09/43/68/237094368.db2.gz LPEDDFKABKRNBU-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1c1ccccc1F ZINC000415122436 237094375 /nfs/dbraw/zinc/09/43/75/237094375.db2.gz LPEDDFKABKRNBU-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c(C)[nH+]1 ZINC000415730703 237262827 /nfs/dbraw/zinc/26/28/27/237262827.db2.gz FETVCGJKEFUYML-OAHLLOKOSA-N 2 2 304.438 3.036 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c(C)[nH+]1 ZINC000415730702 237262743 /nfs/dbraw/zinc/26/27/43/237262743.db2.gz FETVCGJKEFUYML-HNNXBMFYSA-N 2 2 304.438 3.036 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036678 216036947 /nfs/dbraw/zinc/03/69/47/216036947.db2.gz GMYILRXGZWOLLS-KKFJDGPESA-N 2 2 304.331 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036678 216036950 /nfs/dbraw/zinc/03/69/50/216036950.db2.gz GMYILRXGZWOLLS-KKFJDGPESA-N 2 2 304.331 3.061 20 0 DGADLP Cc1[nH+]cc(CNc2ccc3c([nH+]2)CCC3)n1-c1ccccc1 ZINC000449669878 240357558 /nfs/dbraw/zinc/35/75/58/240357558.db2.gz WGPKLAJUCHNQPU-UHFFFAOYSA-N 2 2 304.397 3.098 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000237671670 202325820 /nfs/dbraw/zinc/32/58/20/202325820.db2.gz YZRCTHHRCVULHL-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000188774374 200302472 /nfs/dbraw/zinc/30/24/72/200302472.db2.gz JDGASIHOIGLUEL-IHJVYAAUSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000188774374 200302474 /nfs/dbraw/zinc/30/24/74/200302474.db2.gz JDGASIHOIGLUEL-IHJVYAAUSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423054655 237821136 /nfs/dbraw/zinc/82/11/36/237821136.db2.gz BYWYAIUEVNBOLD-IPYPFGDCSA-N 2 2 304.459 3.319 20 0 DGADLP Fc1cncc([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)c1 ZINC000281158337 216118607 /nfs/dbraw/zinc/11/86/07/216118607.db2.gz BHSUIXCKZRGTAF-QGZVFWFLSA-N 2 2 300.381 3.159 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nc(C(F)(F)F)cs1 ZINC000427877223 238004640 /nfs/dbraw/zinc/00/46/40/238004640.db2.gz ODXUMIIOUAAFFG-IUCAKERBSA-N 2 2 316.352 3.024 20 0 DGADLP Cc1cccn2c(CNc3ccc(N4CCCC4)c[nH+]3)c[nH+]c12 ZINC000427549582 237997388 /nfs/dbraw/zinc/99/73/88/237997388.db2.gz KXHMJGLSBKBCNY-UHFFFAOYSA-N 2 2 307.401 3.250 20 0 DGADLP Cc1cc[nH+]c(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000428663384 238028410 /nfs/dbraw/zinc/02/84/10/238028410.db2.gz FSUQQLLKBLEMFA-KRWDZBQOSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1cc[nH+]c(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000428663384 238028411 /nfs/dbraw/zinc/02/84/11/238028411.db2.gz FSUQQLLKBLEMFA-KRWDZBQOSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1cc[nH+]c(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000428663385 238028475 /nfs/dbraw/zinc/02/84/75/238028475.db2.gz FSUQQLLKBLEMFA-QGZVFWFLSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1cc[nH+]c(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000428663385 238028476 /nfs/dbraw/zinc/02/84/76/238028476.db2.gz FSUQQLLKBLEMFA-QGZVFWFLSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1nc(C(C)C)oc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000428392716 238018729 /nfs/dbraw/zinc/01/87/29/238018729.db2.gz UYRBSCIZXMFFNI-UHFFFAOYSA-N 2 2 314.433 3.132 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1 ZINC000428874430 238033105 /nfs/dbraw/zinc/03/31/05/238033105.db2.gz NEVSPSNXGSENPR-STQMWFEESA-N 2 2 305.422 3.152 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1 ZINC000428874430 238033106 /nfs/dbraw/zinc/03/31/06/238033106.db2.gz NEVSPSNXGSENPR-STQMWFEESA-N 2 2 305.422 3.152 20 0 DGADLP Fc1ccc2nc(C[NH2+]CCC[NH+]3CCCCC3)sc2c1 ZINC000428869164 238033167 /nfs/dbraw/zinc/03/31/67/238033167.db2.gz ARFIKTKQTAPOLQ-UHFFFAOYSA-N 2 2 307.438 3.401 20 0 DGADLP C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996678 238037210 /nfs/dbraw/zinc/03/72/10/238037210.db2.gz BMUXEIMYWHKIRY-FUHIMQAGSA-N 2 2 324.472 3.034 20 0 DGADLP C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996678 238037211 /nfs/dbraw/zinc/03/72/11/238037211.db2.gz BMUXEIMYWHKIRY-FUHIMQAGSA-N 2 2 324.472 3.034 20 0 DGADLP Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431090260 238093786 /nfs/dbraw/zinc/09/37/86/238093786.db2.gz XXWIAJASIISEIF-OAHLLOKOSA-N 2 2 314.433 3.299 20 0 DGADLP Cc1ccc([C@H]2CCCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431090260 238093787 /nfs/dbraw/zinc/09/37/87/238093787.db2.gz XXWIAJASIISEIF-OAHLLOKOSA-N 2 2 314.433 3.299 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1ccc(Br)cc1Cl)C1CC1 ZINC000430555339 238079767 /nfs/dbraw/zinc/07/97/67/238079767.db2.gz IEHKSRIMXVBWIW-CYBMUJFWSA-N 2 2 317.658 3.320 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000430744039 238085425 /nfs/dbraw/zinc/08/54/25/238085425.db2.gz QPTFFMNZBHXQOP-SJORKVTESA-N 2 2 312.417 3.109 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430967269 238091331 /nfs/dbraw/zinc/09/13/31/238091331.db2.gz RHVPNZDHYCPEBU-HZSPNIEDSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430967269 238091332 /nfs/dbraw/zinc/09/13/32/238091332.db2.gz RHVPNZDHYCPEBU-HZSPNIEDSA-N 2 2 323.868 3.035 20 0 DGADLP Fc1cncc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)c1 ZINC000281335661 216230712 /nfs/dbraw/zinc/23/07/12/216230712.db2.gz UGVUUGUTKCSPDC-SFHVURJKSA-N 2 2 310.376 3.152 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1cccc(C)c1)C[C@H]1CC[NH2+]C1 ZINC000435420167 238303894 /nfs/dbraw/zinc/30/38/94/238303894.db2.gz ASOIUNFCACHYBE-KRWDZBQOSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1cccc(C)c1)C[C@H]1CC[NH2+]C1 ZINC000435420167 238303898 /nfs/dbraw/zinc/30/38/98/238303898.db2.gz ASOIUNFCACHYBE-KRWDZBQOSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC000435449193 238309486 /nfs/dbraw/zinc/30/94/86/238309486.db2.gz OXQGPBHGZPIIBP-INIZCTEOSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC000435449193 238309491 /nfs/dbraw/zinc/30/94/91/238309491.db2.gz OXQGPBHGZPIIBP-INIZCTEOSA-N 2 2 315.486 3.372 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1nccn1C ZINC000246111392 299318466 /nfs/dbraw/zinc/31/84/66/299318466.db2.gz ZVPMHEYTVKGPCM-SQWLQELKSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nccn1C ZINC000246111392 299318467 /nfs/dbraw/zinc/31/84/67/299318467.db2.gz ZVPMHEYTVKGPCM-SQWLQELKSA-N 2 2 318.490 3.215 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1cccs1 ZINC000246096889 432094534 /nfs/dbraw/zinc/09/45/34/432094534.db2.gz HETMUWVUQFSSKW-GUYCJALGSA-N 2 2 320.458 3.006 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@H]1c1cccs1 ZINC000246096889 432094537 /nfs/dbraw/zinc/09/45/37/432094537.db2.gz HETMUWVUQFSSKW-GUYCJALGSA-N 2 2 320.458 3.006 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1nccn1C ZINC000246111385 432096142 /nfs/dbraw/zinc/09/61/42/432096142.db2.gz ZVPMHEYTVKGPCM-OFQRWUPVSA-N 2 2 318.490 3.215 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)CC[C@H](C)[NH3+])cc3)[nH+]c12 ZINC000193301747 201024334 /nfs/dbraw/zinc/02/43/34/201024334.db2.gz KRWNWXXOQFUZIW-AWEZNQCLSA-N 2 2 322.412 3.376 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nccn1C ZINC000246111385 432096145 /nfs/dbraw/zinc/09/61/45/432096145.db2.gz ZVPMHEYTVKGPCM-OFQRWUPVSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000271877978 209289264 /nfs/dbraw/zinc/28/92/64/209289264.db2.gz OPVNJZUTXKTTCY-DOMZBBRYSA-N 2 2 322.836 3.194 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000292859378 223278461 /nfs/dbraw/zinc/27/84/61/223278461.db2.gz VDFSPAPFNALGSP-KRWDZBQOSA-N 2 2 313.420 3.330 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)[nH]c2c1 ZINC000193996909 201159484 /nfs/dbraw/zinc/15/94/84/201159484.db2.gz CELQHGNZGIJWTM-JEBQAFNWSA-N 2 2 311.429 3.043 20 0 DGADLP c1coc(-c2ncc(C[NH+]3CCC(n4cc[nH+]c4)CC3)s2)c1 ZINC000194361580 201210961 /nfs/dbraw/zinc/21/09/61/201210961.db2.gz CKNMFVZDAOXJLL-UHFFFAOYSA-N 2 2 314.414 3.437 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000246128641 432098731 /nfs/dbraw/zinc/09/87/31/432098731.db2.gz OTZOCVYIUKVBSG-NJAFHUGGSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000246128641 432098736 /nfs/dbraw/zinc/09/87/36/432098736.db2.gz OTZOCVYIUKVBSG-NJAFHUGGSA-N 2 2 302.462 3.369 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000194979063 201319839 /nfs/dbraw/zinc/31/98/39/201319839.db2.gz ACIMAGBNTLFYEO-LPHOPBHVSA-N 2 2 312.461 3.391 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000194979082 201320145 /nfs/dbraw/zinc/32/01/45/201320145.db2.gz ACIMAGBNTLFYEO-VQIMIIECSA-N 2 2 312.461 3.391 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000444621552 239308973 /nfs/dbraw/zinc/30/89/73/239308973.db2.gz SJHUIVUQKUYPHD-UHFFFAOYSA-N 2 2 315.505 3.301 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000070143233 283734849 /nfs/dbraw/zinc/73/48/49/283734849.db2.gz YCMIVRVXCMVLIO-LBPRGKRZSA-N 2 2 304.463 3.059 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3ccccc3n2C)C1 ZINC000246170245 432101670 /nfs/dbraw/zinc/10/16/70/432101670.db2.gz VHFVYLFXPHSVQF-CVEARBPZSA-N 2 2 314.477 3.344 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3ccccc3n2C)C1 ZINC000246170245 432101673 /nfs/dbraw/zinc/10/16/73/432101673.db2.gz VHFVYLFXPHSVQF-CVEARBPZSA-N 2 2 314.477 3.344 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000271812145 209237071 /nfs/dbraw/zinc/23/70/71/209237071.db2.gz NPJNLURHPHCABX-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000271812145 209237073 /nfs/dbraw/zinc/23/70/73/209237073.db2.gz NPJNLURHPHCABX-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449076358 240003528 /nfs/dbraw/zinc/00/35/28/240003528.db2.gz PAUBPTFXFKVWGA-LBPRGKRZSA-N 2 2 316.405 3.324 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000449109493 240022031 /nfs/dbraw/zinc/02/20/31/240022031.db2.gz YTZXWOXQRZTIDX-CQSZACIVSA-N 2 2 319.449 3.284 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000449109493 240022037 /nfs/dbraw/zinc/02/20/37/240022037.db2.gz YTZXWOXQRZTIDX-CQSZACIVSA-N 2 2 319.449 3.284 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H](c2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000246186082 432104157 /nfs/dbraw/zinc/10/41/57/432104157.db2.gz WSNDETIENIQAIB-GPMSIDNRSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000449089800 240012901 /nfs/dbraw/zinc/01/29/01/240012901.db2.gz LMNGQINXOFSMHN-DYVFJYSZSA-N 2 2 308.466 3.131 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1F ZINC000449168732 240049681 /nfs/dbraw/zinc/04/96/81/240049681.db2.gz DYTMOGDTIFNQPO-DNVCBOLYSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1F ZINC000449168732 240049687 /nfs/dbraw/zinc/04/96/87/240049687.db2.gz DYTMOGDTIFNQPO-DNVCBOLYSA-N 2 2 313.420 3.221 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449178108 240053516 /nfs/dbraw/zinc/05/35/16/240053516.db2.gz UCGDHXHVLKNPFF-SOAGJPPSSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449178108 240053520 /nfs/dbraw/zinc/05/35/20/240053520.db2.gz UCGDHXHVLKNPFF-SOAGJPPSSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC(C)(F)F)sc2C1 ZINC000449355488 240153078 /nfs/dbraw/zinc/15/30/78/240153078.db2.gz ZYKHQTMLZZLPGS-UHFFFAOYSA-N 2 2 303.422 3.045 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC(C)(F)F)sc2C1 ZINC000449355488 240153084 /nfs/dbraw/zinc/15/30/84/240153084.db2.gz ZYKHQTMLZZLPGS-UHFFFAOYSA-N 2 2 303.422 3.045 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000449387807 240168069 /nfs/dbraw/zinc/16/80/69/240168069.db2.gz YFGUXEVVOPRFJA-KRWDZBQOSA-N 2 2 314.477 3.173 20 0 DGADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449393394 240169977 /nfs/dbraw/zinc/16/99/77/240169977.db2.gz BURMVZMRJBPOKP-UYSNPLJNSA-N 2 2 322.880 3.022 20 0 DGADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449393394 240169982 /nfs/dbraw/zinc/16/99/82/240169982.db2.gz BURMVZMRJBPOKP-UYSNPLJNSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000449400992 240175763 /nfs/dbraw/zinc/17/57/63/240175763.db2.gz KTOLZXIFPLWCOX-NWDGAFQWSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000449400992 240175767 /nfs/dbraw/zinc/17/57/67/240175767.db2.gz KTOLZXIFPLWCOX-NWDGAFQWSA-N 2 2 312.816 3.073 20 0 DGADLP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449433005 240200528 /nfs/dbraw/zinc/20/05/28/240200528.db2.gz KKABGZWNWXKTFO-MSOLQXFVSA-N 2 2 301.478 3.462 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000449493797 240243176 /nfs/dbraw/zinc/24/31/76/240243176.db2.gz MGQCNYLUEWHBJN-NSHDSACASA-N 2 2 314.342 3.428 20 0 DGADLP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000449512508 240260090 /nfs/dbraw/zinc/26/00/90/240260090.db2.gz PPUWYPPXITZOPU-SJORKVTESA-N 2 2 304.434 3.034 20 0 DGADLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449527055 240267731 /nfs/dbraw/zinc/26/77/31/240267731.db2.gz YWMHDEYFRJXHHB-OAHLLOKOSA-N 2 2 317.477 3.388 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](C)O ZINC000449543034 240276839 /nfs/dbraw/zinc/27/68/39/240276839.db2.gz NQAMYTHFNHKOMK-GUYCJALGSA-N 2 2 310.869 3.053 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449561529 240291124 /nfs/dbraw/zinc/29/11/24/240291124.db2.gz CRTHEUCMPBDARS-OAHLLOKOSA-N 2 2 304.482 3.351 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449749375 240396785 /nfs/dbraw/zinc/39/67/85/240396785.db2.gz PAHPCUJDTTUCFZ-RDJZCZTQSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Br ZINC000275344188 212280120 /nfs/dbraw/zinc/28/01/20/212280120.db2.gz XUSTXBVXUYVPSV-IUODEOHRSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Br ZINC000275344188 212280123 /nfs/dbraw/zinc/28/01/23/212280123.db2.gz XUSTXBVXUYVPSV-IUODEOHRSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1Br ZINC000275344188 212280126 /nfs/dbraw/zinc/28/01/26/212280126.db2.gz XUSTXBVXUYVPSV-IUODEOHRSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1Br ZINC000275344188 212280129 /nfs/dbraw/zinc/28/01/29/212280129.db2.gz XUSTXBVXUYVPSV-IUODEOHRSA-N 2 2 311.267 3.221 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043137 193145927 /nfs/dbraw/zinc/14/59/27/193145927.db2.gz ZCECIVRBKGFDSU-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043137 193145929 /nfs/dbraw/zinc/14/59/29/193145929.db2.gz ZCECIVRBKGFDSU-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043137 193145931 /nfs/dbraw/zinc/14/59/31/193145931.db2.gz ZCECIVRBKGFDSU-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043137 193145932 /nfs/dbraw/zinc/14/59/32/193145932.db2.gz ZCECIVRBKGFDSU-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451880272 241265025 /nfs/dbraw/zinc/26/50/25/241265025.db2.gz VGESEOWDCPTGFX-QGZVFWFLSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1cncc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000452126251 241325337 /nfs/dbraw/zinc/32/53/37/241325337.db2.gz ZOIMQHCAJKKIGT-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000246250448 432111466 /nfs/dbraw/zinc/11/14/66/432111466.db2.gz PFXVOPDZFKGCGB-NVXWUHKLSA-N 2 2 318.461 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000246250448 432111468 /nfs/dbraw/zinc/11/14/68/432111468.db2.gz PFXVOPDZFKGCGB-NVXWUHKLSA-N 2 2 318.461 3.143 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000455478975 242212275 /nfs/dbraw/zinc/21/22/75/242212275.db2.gz NKILEIYUEVEBGB-UHFFFAOYSA-N 2 2 304.438 3.004 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3coc4ccccc34)CC2)CCO1 ZINC000092079074 193155118 /nfs/dbraw/zinc/15/51/18/193155118.db2.gz IVWYMQKCYJZOPP-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3coc4ccccc34)CC2)CCO1 ZINC000092079074 193155120 /nfs/dbraw/zinc/15/51/20/193155120.db2.gz IVWYMQKCYJZOPP-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091344346 284000449 /nfs/dbraw/zinc/00/04/49/284000449.db2.gz LDNTUQDYLXPKGD-APWZRJJASA-N 2 2 302.462 3.004 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Br)[C@@H](C)C1 ZINC000246283336 432115447 /nfs/dbraw/zinc/11/54/47/432115447.db2.gz VSOHQRBKFMHOQL-WFASDCNBSA-N 2 2 311.267 3.269 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Br)[C@@H](C)C1 ZINC000246283336 432115449 /nfs/dbraw/zinc/11/54/49/432115449.db2.gz VSOHQRBKFMHOQL-WFASDCNBSA-N 2 2 311.267 3.269 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246295027 432116289 /nfs/dbraw/zinc/11/62/89/432116289.db2.gz CQPMAVQOZNQUEO-ZIAGYGMSSA-N 2 2 307.507 3.404 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246295027 432116293 /nfs/dbraw/zinc/11/62/93/432116293.db2.gz CQPMAVQOZNQUEO-ZIAGYGMSSA-N 2 2 307.507 3.404 20 0 DGADLP CC1(C)CC([NH2+]Cc2ccn(-c3ccccc3)n2)CC(C)(C)[NH2+]1 ZINC000092172468 193170616 /nfs/dbraw/zinc/17/06/16/193170616.db2.gz AYBCKZKMMCAFAX-UHFFFAOYSA-N 2 2 312.461 3.271 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223030221 201630568 /nfs/dbraw/zinc/63/05/68/201630568.db2.gz PYDMCLHYAIQXQE-IAQYHMDHSA-N 2 2 320.234 3.311 20 0 DGADLP Cc1cccn2c(CN3CCC[C@H]3C[NH+]3CCCCC3)c[nH+]c12 ZINC000092218983 193175512 /nfs/dbraw/zinc/17/55/12/193175512.db2.gz AWTLZLRGFGSOLO-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2C1 ZINC000092253659 193181700 /nfs/dbraw/zinc/18/17/00/193181700.db2.gz AGDSXJRPNYNVSY-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)sc2C1 ZINC000092253659 193181701 /nfs/dbraw/zinc/18/17/01/193181701.db2.gz AGDSXJRPNYNVSY-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@H]1CCc2nc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)sc2C1 ZINC000092253659 193181703 /nfs/dbraw/zinc/18/17/03/193181703.db2.gz AGDSXJRPNYNVSY-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@H]1CCc2nc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000092253659 193181705 /nfs/dbraw/zinc/18/17/05/193181705.db2.gz AGDSXJRPNYNVSY-UONOGXRCSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000295359258 299389003 /nfs/dbraw/zinc/38/90/03/299389003.db2.gz JAPOLFSOHIGYFK-JQHSSLGASA-N 2 2 302.462 3.369 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000459369513 243351517 /nfs/dbraw/zinc/35/15/17/243351517.db2.gz QIOCLJVZZOPYPR-QGZVFWFLSA-N 2 2 305.372 3.468 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000459369513 243351522 /nfs/dbraw/zinc/35/15/22/243351522.db2.gz QIOCLJVZZOPYPR-QGZVFWFLSA-N 2 2 305.372 3.468 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(C2CC2)nc1)[N@H+](C)Cc1ccccc1 ZINC000459426623 243366704 /nfs/dbraw/zinc/36/67/04/243366704.db2.gz NFSCMMQHOTWYLQ-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(C2CC2)nc1)[N@@H+](C)Cc1ccccc1 ZINC000459426623 243366707 /nfs/dbraw/zinc/36/67/07/243366707.db2.gz NFSCMMQHOTWYLQ-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468379058 244038685 /nfs/dbraw/zinc/03/86/85/244038685.db2.gz ZKYXAALDEGNTDG-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468379058 244038688 /nfs/dbraw/zinc/03/86/88/244038688.db2.gz ZKYXAALDEGNTDG-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP COC[C@H](C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469071943 244083968 /nfs/dbraw/zinc/08/39/68/244083968.db2.gz QIAKWDOLABNSMF-MAUKXSAKSA-N 2 2 304.478 3.084 20 0 DGADLP COC[C@H](C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469071943 244083974 /nfs/dbraw/zinc/08/39/74/244083974.db2.gz QIAKWDOLABNSMF-MAUKXSAKSA-N 2 2 304.478 3.084 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000469804559 244124675 /nfs/dbraw/zinc/12/46/75/244124675.db2.gz PLMHESYQCMYVHD-SFHVURJKSA-N 2 2 315.505 3.367 20 0 DGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)c(OCCC)c1 ZINC000470013387 244139551 /nfs/dbraw/zinc/13/95/51/244139551.db2.gz XGMDMQWHXPJOEU-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1F ZINC000470319819 244165039 /nfs/dbraw/zinc/16/50/39/244165039.db2.gz VICYAQNMJVBCLN-VBQJREDUSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1F ZINC000470319819 244165045 /nfs/dbraw/zinc/16/50/45/244165045.db2.gz VICYAQNMJVBCLN-VBQJREDUSA-N 2 2 308.441 3.085 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1nccs1 ZINC000093372787 193240520 /nfs/dbraw/zinc/24/05/20/193240520.db2.gz RNWBPVCIHAQKBS-CQSZACIVSA-N 2 2 312.442 3.281 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563997 193270195 /nfs/dbraw/zinc/27/01/95/193270195.db2.gz YVODPOZWRKLFJK-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000093563997 193270196 /nfs/dbraw/zinc/27/01/96/193270196.db2.gz YVODPOZWRKLFJK-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741890 193298425 /nfs/dbraw/zinc/29/84/25/193298425.db2.gz BRNPHSQTBVUBNL-OAHLLOKOSA-N 2 2 324.538 3.153 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741890 193298426 /nfs/dbraw/zinc/29/84/26/193298426.db2.gz BRNPHSQTBVUBNL-OAHLLOKOSA-N 2 2 324.538 3.153 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741890 193298428 /nfs/dbraw/zinc/29/84/28/193298428.db2.gz BRNPHSQTBVUBNL-OAHLLOKOSA-N 2 2 324.538 3.153 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000093741890 193298429 /nfs/dbraw/zinc/29/84/29/193298429.db2.gz BRNPHSQTBVUBNL-OAHLLOKOSA-N 2 2 324.538 3.153 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770014 193302549 /nfs/dbraw/zinc/30/25/49/193302549.db2.gz NTWZKZPVQFOMTP-CYBMUJFWSA-N 2 2 316.367 3.201 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770014 193302550 /nfs/dbraw/zinc/30/25/50/193302550.db2.gz NTWZKZPVQFOMTP-CYBMUJFWSA-N 2 2 316.367 3.201 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770014 193302552 /nfs/dbraw/zinc/30/25/52/193302552.db2.gz NTWZKZPVQFOMTP-CYBMUJFWSA-N 2 2 316.367 3.201 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000093770014 193302554 /nfs/dbraw/zinc/30/25/54/193302554.db2.gz NTWZKZPVQFOMTP-CYBMUJFWSA-N 2 2 316.367 3.201 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000093659905 193285289 /nfs/dbraw/zinc/28/52/89/193285289.db2.gz NOMYQOKSTPOILE-QGZVFWFLSA-N 2 2 306.498 3.216 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000093659905 193285291 /nfs/dbraw/zinc/28/52/91/193285291.db2.gz NOMYQOKSTPOILE-QGZVFWFLSA-N 2 2 306.498 3.216 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000093659905 193285293 /nfs/dbraw/zinc/28/52/93/193285293.db2.gz NOMYQOKSTPOILE-QGZVFWFLSA-N 2 2 306.498 3.216 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000093659905 193285295 /nfs/dbraw/zinc/28/52/95/193285295.db2.gz NOMYQOKSTPOILE-QGZVFWFLSA-N 2 2 306.498 3.216 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683726 193288552 /nfs/dbraw/zinc/28/85/52/193288552.db2.gz RFOZZSVMQUXFBJ-HNNXBMFYSA-N 2 2 304.482 3.015 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683726 193288554 /nfs/dbraw/zinc/28/85/54/193288554.db2.gz RFOZZSVMQUXFBJ-HNNXBMFYSA-N 2 2 304.482 3.015 20 0 DGADLP C[C@@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000094342284 193362373 /nfs/dbraw/zinc/36/23/73/193362373.db2.gz MZBSTVYNAMFWMS-ABAIWWIYSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000094342284 193362375 /nfs/dbraw/zinc/36/23/75/193362375.db2.gz MZBSTVYNAMFWMS-ABAIWWIYSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422903056 296150539 /nfs/dbraw/zinc/15/05/39/296150539.db2.gz NXBOQGDJBXMUEQ-ZOWXZIJZSA-N 2 2 316.367 3.419 20 0 DGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[NH+]1CCCCC1 ZINC000120968895 284183540 /nfs/dbraw/zinc/18/35/40/284183540.db2.gz YBLPISAPECGHEE-ZACQAIPSSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000120887616 296153284 /nfs/dbraw/zinc/15/32/84/296153284.db2.gz PKUWJKCJIXPPNO-APWZRJJASA-N 2 2 302.462 3.228 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000122018969 284211425 /nfs/dbraw/zinc/21/14/25/284211425.db2.gz DEIJBFPRFHQOET-RYRKJORJSA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000122018969 284211427 /nfs/dbraw/zinc/21/14/27/284211427.db2.gz DEIJBFPRFHQOET-RYRKJORJSA-N 2 2 304.478 3.300 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000486946898 245003290 /nfs/dbraw/zinc/00/32/90/245003290.db2.gz BBBVMJMAFWMPEI-HUUCEWRRSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000486946898 245003295 /nfs/dbraw/zinc/00/32/95/245003295.db2.gz BBBVMJMAFWMPEI-HUUCEWRRSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000486948882 245003936 /nfs/dbraw/zinc/00/39/36/245003936.db2.gz YFHXCAJPURMTDR-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000487270145 245042801 /nfs/dbraw/zinc/04/28/01/245042801.db2.gz FVLMHGJJDVBDAK-BTZGUFSASA-N 2 2 307.441 3.349 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000487270145 245042809 /nfs/dbraw/zinc/04/28/09/245042809.db2.gz FVLMHGJJDVBDAK-BTZGUFSASA-N 2 2 307.441 3.349 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488371396 245181186 /nfs/dbraw/zinc/18/11/86/245181186.db2.gz STJYANLQNNCWOR-RDJZCZTQSA-N 2 2 301.459 3.492 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CS1 ZINC000488451771 245195774 /nfs/dbraw/zinc/19/57/74/245195774.db2.gz UAEXUDDRGIEBIF-MSOLQXFVSA-N 2 2 318.530 3.205 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)c(F)c1 ZINC000489612040 245330160 /nfs/dbraw/zinc/33/01/60/245330160.db2.gz XRFVXVSUBXNHBX-NSHDSACASA-N 2 2 315.230 3.335 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000274897297 212018219 /nfs/dbraw/zinc/01/82/19/212018219.db2.gz OFQNUVIWGQXGKX-PBHICJAKSA-N 2 2 312.417 3.203 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080592 245379977 /nfs/dbraw/zinc/37/99/77/245379977.db2.gz OKKALHQGTSCQNR-NXEZZACHSA-N 2 2 307.385 3.297 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080592 245379981 /nfs/dbraw/zinc/37/99/81/245379981.db2.gz OKKALHQGTSCQNR-NXEZZACHSA-N 2 2 307.385 3.297 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000274895742 212016693 /nfs/dbraw/zinc/01/66/93/212016693.db2.gz SPZJZQNRBONTBD-LBPRGKRZSA-N 2 2 300.406 3.182 20 0 DGADLP C[NH+](C)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000125535263 284278212 /nfs/dbraw/zinc/27/82/12/284278212.db2.gz QJARBPCBRYFGDE-RBUKOAKNSA-N 2 2 320.440 3.392 20 0 DGADLP Brc1sccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000282491722 217035454 /nfs/dbraw/zinc/03/54/54/217035454.db2.gz RCHANHDXNZZWHE-VXGBXAGGSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1sccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000282491722 217035458 /nfs/dbraw/zinc/03/54/58/217035458.db2.gz RCHANHDXNZZWHE-VXGBXAGGSA-N 2 2 315.280 3.227 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282492189 217036555 /nfs/dbraw/zinc/03/65/55/217036555.db2.gz HTQZINYJEQEPFJ-MOPGFXCFSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282492189 217036557 /nfs/dbraw/zinc/03/65/57/217036557.db2.gz HTQZINYJEQEPFJ-MOPGFXCFSA-N 2 2 314.473 3.200 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000282579710 217102498 /nfs/dbraw/zinc/10/24/98/217102498.db2.gz BDHKZLDSELPHBA-BOLDSZDNSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000282579710 217102501 /nfs/dbraw/zinc/10/25/01/217102501.db2.gz BDHKZLDSELPHBA-BOLDSZDNSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc(O)c1 ZINC000126655869 284312564 /nfs/dbraw/zinc/31/25/64/284312564.db2.gz ZVMUCKZJGJZLDR-HNNXBMFYSA-N 2 2 311.429 3.102 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)c[nH+]1 ZINC000282648284 217150534 /nfs/dbraw/zinc/15/05/34/217150534.db2.gz LASHDMWUOJDJKY-GOSISDBHSA-N 2 2 311.429 3.311 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)c[nH+]1 ZINC000282648287 217150550 /nfs/dbraw/zinc/15/05/50/217150550.db2.gz LASHDMWUOJDJKY-SFHVURJKSA-N 2 2 311.429 3.311 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000266091387 205089790 /nfs/dbraw/zinc/08/97/90/205089790.db2.gz IDAAVDRSKBLAJR-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP Clc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268754068 432128382 /nfs/dbraw/zinc/12/83/82/432128382.db2.gz KWDCCDBIZUHLRE-INIZCTEOSA-N 2 2 306.837 3.380 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246422073 432128560 /nfs/dbraw/zinc/12/85/60/432128560.db2.gz UBQKCNROBVYWHK-STQMWFEESA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246422073 432128565 /nfs/dbraw/zinc/12/85/65/432128565.db2.gz UBQKCNROBVYWHK-STQMWFEESA-N 2 2 311.267 3.394 20 0 DGADLP Brc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020128857 182190313 /nfs/dbraw/zinc/19/03/13/182190313.db2.gz BEDSMSGYDUBEFP-UHFFFAOYSA-N 2 2 311.267 3.415 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000493892380 246092898 /nfs/dbraw/zinc/09/28/98/246092898.db2.gz VQMWWOANKLNFIB-HNNXBMFYSA-N 2 2 323.278 3.430 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000494495991 246155647 /nfs/dbraw/zinc/15/56/47/246155647.db2.gz NVMDGLPKSZTETJ-MAUKXSAKSA-N 2 2 302.462 3.145 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000494495991 246155652 /nfs/dbraw/zinc/15/56/52/246155652.db2.gz NVMDGLPKSZTETJ-MAUKXSAKSA-N 2 2 302.462 3.145 20 0 DGADLP CC[C@H](C[NH2+]Cc1cncc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000494549337 246162039 /nfs/dbraw/zinc/16/20/39/246162039.db2.gz QTIWJKFEVPBLAZ-LJQANCHMSA-N 2 2 313.420 3.147 20 0 DGADLP CC[C@H](C[NH2+]Cc1cncc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000494549337 246162041 /nfs/dbraw/zinc/16/20/41/246162041.db2.gz QTIWJKFEVPBLAZ-LJQANCHMSA-N 2 2 313.420 3.147 20 0 DGADLP Clc1ccc2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2c1 ZINC000267466784 206086174 /nfs/dbraw/zinc/08/61/74/206086174.db2.gz WPOGHGRWFLQAPA-LBPRGKRZSA-N 2 2 315.808 3.090 20 0 DGADLP Clc1ccc2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2c1 ZINC000267466784 206086177 /nfs/dbraw/zinc/08/61/77/206086177.db2.gz WPOGHGRWFLQAPA-LBPRGKRZSA-N 2 2 315.808 3.090 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(-c3ccncc3)c1)CC2 ZINC000494462874 246151428 /nfs/dbraw/zinc/15/14/28/246151428.db2.gz DEEKYOKSMAKKLM-SFHVURJKSA-N 2 2 304.397 3.050 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000494693005 246181966 /nfs/dbraw/zinc/18/19/66/246181966.db2.gz GQURBELUBMJQNN-HUUCEWRRSA-N 2 2 321.465 3.214 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495125730 246238050 /nfs/dbraw/zinc/23/80/50/246238050.db2.gz CBSGFXVZPLPIJX-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495125730 246238055 /nfs/dbraw/zinc/23/80/55/246238055.db2.gz CBSGFXVZPLPIJX-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495125730 246238057 /nfs/dbraw/zinc/23/80/57/246238057.db2.gz CBSGFXVZPLPIJX-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495125730 246238059 /nfs/dbraw/zinc/23/80/59/246238059.db2.gz CBSGFXVZPLPIJX-MJGOQNOKSA-N 2 2 302.462 3.247 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268788063 432135072 /nfs/dbraw/zinc/13/50/72/432135072.db2.gz CEUXGOZVGNUQGV-GJZGRUSLSA-N 3 2 309.417 3.117 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268795967 432137257 /nfs/dbraw/zinc/13/72/57/432137257.db2.gz ZWZGBJVZJQCXCL-INIZCTEOSA-N 3 2 300.450 3.253 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268795967 432137261 /nfs/dbraw/zinc/13/72/61/432137261.db2.gz ZWZGBJVZJQCXCL-INIZCTEOSA-N 3 2 300.450 3.253 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268815417 432140440 /nfs/dbraw/zinc/14/04/40/432140440.db2.gz KERMVPBNFYTKBS-XFBWCDHKSA-N 2 2 306.450 3.435 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268815417 432140443 /nfs/dbraw/zinc/14/04/43/432140443.db2.gz KERMVPBNFYTKBS-XFBWCDHKSA-N 2 2 306.450 3.435 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000246548942 432142601 /nfs/dbraw/zinc/14/26/01/432142601.db2.gz KFAVJHAKFPFUTO-HOCLYGCPSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sc1C ZINC000246548942 432142604 /nfs/dbraw/zinc/14/26/04/432142604.db2.gz KFAVJHAKFPFUTO-HOCLYGCPSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc1C ZINC000246548942 432142608 /nfs/dbraw/zinc/14/26/08/432142608.db2.gz KFAVJHAKFPFUTO-HOCLYGCPSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc1C ZINC000246548942 432142611 /nfs/dbraw/zinc/14/26/11/432142611.db2.gz KFAVJHAKFPFUTO-HOCLYGCPSA-N 2 2 305.491 3.209 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000268827157 432143190 /nfs/dbraw/zinc/14/31/90/432143190.db2.gz ZGPQWGSPMUGOMD-GOEBONIOSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000268827157 432143193 /nfs/dbraw/zinc/14/31/93/432143193.db2.gz ZGPQWGSPMUGOMD-GOEBONIOSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136095397 432145153 /nfs/dbraw/zinc/14/51/53/432145153.db2.gz JTSUNPUTFCGSGG-YOEHRIQHSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000136095397 432145158 /nfs/dbraw/zinc/14/51/58/432145158.db2.gz JTSUNPUTFCGSGG-YOEHRIQHSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]1CC[N@H+](CCOc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000136085206 432145185 /nfs/dbraw/zinc/14/51/85/432145185.db2.gz FNOVSAJXJAGUPG-HOCLYGCPSA-N 2 2 319.836 3.498 20 0 DGADLP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268869738 432145962 /nfs/dbraw/zinc/14/59/62/432145962.db2.gz UWEFHRWVYPAMIM-QGZVFWFLSA-N 2 2 324.896 3.301 20 0 DGADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000040226483 183047824 /nfs/dbraw/zinc/04/78/24/183047824.db2.gz INIGHXYMDHUVSU-HNNXBMFYSA-N 2 2 309.251 3.122 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1sccc1Br ZINC000043674589 183378616 /nfs/dbraw/zinc/37/86/16/183378616.db2.gz HGGMFCPBWZKEQQ-UHFFFAOYSA-N 2 2 305.285 3.188 20 0 DGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000105876467 194152742 /nfs/dbraw/zinc/15/27/42/194152742.db2.gz TXBVOVHOSGITSR-UHFFFAOYSA-N 2 2 316.449 3.160 20 0 DGADLP CO[C@H](C)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268848909 207015963 /nfs/dbraw/zinc/01/59/63/207015963.db2.gz OPENEGISWHVKMW-CQSZACIVSA-N 2 2 310.869 3.319 20 0 DGADLP OC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000268856864 207024938 /nfs/dbraw/zinc/02/49/38/207024938.db2.gz FABUZAVZWBSPGL-UHFFFAOYSA-N 2 2 322.880 3.199 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864892 207034550 /nfs/dbraw/zinc/03/45/50/207034550.db2.gz FFMPVWBTMFETTI-DYESRHJHSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2)cc1 ZINC000268864892 207034555 /nfs/dbraw/zinc/03/45/55/207034555.db2.gz FFMPVWBTMFETTI-DYESRHJHSA-N 2 2 323.484 3.250 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[NH+](C)C ZINC000110677216 194349086 /nfs/dbraw/zinc/34/90/86/194349086.db2.gz UQFJVCPQYZHZHG-INIZCTEOSA-N 2 2 314.433 3.355 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680722 184182372 /nfs/dbraw/zinc/18/23/72/184182372.db2.gz HDGILTZDNRIVEY-UHFFFAOYSA-N 2 2 303.475 3.488 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191692 184277299 /nfs/dbraw/zinc/27/72/99/184277299.db2.gz MZXJMUARFXWURX-FZMZJTMJSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191692 184277300 /nfs/dbraw/zinc/27/73/00/184277300.db2.gz MZXJMUARFXWURX-FZMZJTMJSA-N 2 2 302.340 3.287 20 0 DGADLP CCC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000248530118 285003411 /nfs/dbraw/zinc/00/34/11/285003411.db2.gz XFKFXCUJFSEJPK-BQFCYCMXSA-N 2 2 305.466 3.012 20 0 DGADLP C[C@@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C[C@H]1C ZINC000248600002 285009178 /nfs/dbraw/zinc/00/91/78/285009178.db2.gz UUGHYXOTWXMZNF-MGPQQGTHSA-N 2 2 322.416 3.447 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000248622478 285011483 /nfs/dbraw/zinc/01/14/83/285011483.db2.gz BDMMUZPFAYBARZ-IFXJQAMLSA-N 2 2 314.404 3.141 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000248622478 285011484 /nfs/dbraw/zinc/01/14/84/285011484.db2.gz BDMMUZPFAYBARZ-IFXJQAMLSA-N 2 2 314.404 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000248855492 285032608 /nfs/dbraw/zinc/03/26/08/285032608.db2.gz CYZHNOWFOWILAF-KBAYOESNSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000248855492 285032613 /nfs/dbraw/zinc/03/26/13/285032613.db2.gz CYZHNOWFOWILAF-KBAYOESNSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000249110824 285056849 /nfs/dbraw/zinc/05/68/49/285056849.db2.gz MZUDAHVFEITMJE-RBUKOAKNSA-N 2 2 302.462 3.084 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000249110824 285056852 /nfs/dbraw/zinc/05/68/52/285056852.db2.gz MZUDAHVFEITMJE-RBUKOAKNSA-N 2 2 302.462 3.084 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000120042538 195085999 /nfs/dbraw/zinc/08/59/99/195085999.db2.gz ZUGDJJLZRIVDJA-SNRMKQJTSA-N 2 2 312.461 3.124 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000120042538 195086001 /nfs/dbraw/zinc/08/60/01/195086001.db2.gz ZUGDJJLZRIVDJA-SNRMKQJTSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120122025 195100830 /nfs/dbraw/zinc/10/08/30/195100830.db2.gz KRTMGWVDIDWFLR-HNNXBMFYSA-N 3 2 300.450 3.111 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000249213226 285063844 /nfs/dbraw/zinc/06/38/44/285063844.db2.gz YUQSKCUAFNKZQR-RLLQIKCJSA-N 2 2 316.489 3.055 20 0 DGADLP CC[C@@]1(C)CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871714 253015592 /nfs/dbraw/zinc/01/55/92/253015592.db2.gz NDKHZJWQPOPJKN-LPHOPBHVSA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@@]1(C)CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871714 253015594 /nfs/dbraw/zinc/01/55/94/253015594.db2.gz NDKHZJWQPOPJKN-LPHOPBHVSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC[C@@H]3OC(F)F)c[nH+]c12 ZINC000337286411 253078355 /nfs/dbraw/zinc/07/83/55/253078355.db2.gz MDWPCAIWJXRLFF-KGLIPLIRSA-N 2 2 309.360 3.283 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000337323299 253087249 /nfs/dbraw/zinc/08/72/49/253087249.db2.gz AHACROGXFXKXLG-MRXNPFEDSA-N 2 2 304.478 3.226 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000337323299 253087251 /nfs/dbraw/zinc/08/72/51/253087251.db2.gz AHACROGXFXKXLG-MRXNPFEDSA-N 2 2 304.478 3.226 20 0 DGADLP COc1ccc2nc(C[N@H+](C)CCC[NH+]3CCCC3)sc2c1 ZINC000337225185 253065224 /nfs/dbraw/zinc/06/52/24/253065224.db2.gz OABGZIOWWXSVKF-UHFFFAOYSA-N 2 2 319.474 3.223 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)CCC[NH+]3CCCC3)sc2c1 ZINC000337225185 253065226 /nfs/dbraw/zinc/06/52/26/253065226.db2.gz OABGZIOWWXSVKF-UHFFFAOYSA-N 2 2 319.474 3.223 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337375365 253100097 /nfs/dbraw/zinc/10/00/97/253100097.db2.gz AWYZMTCVHHIJNA-MOPGFXCFSA-N 2 2 313.445 3.226 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337507225 253129806 /nfs/dbraw/zinc/12/98/06/253129806.db2.gz GEGIMEGTTYWJDU-RBUKOAKNSA-N 2 2 313.445 3.226 20 0 DGADLP COCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000337949312 253198302 /nfs/dbraw/zinc/19/83/02/253198302.db2.gz OLBWSVFSIUFSRV-KRWDZBQOSA-N 2 2 301.434 3.413 20 0 DGADLP c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000337987391 253204675 /nfs/dbraw/zinc/20/46/75/253204675.db2.gz KHJUPMARHXZIKS-WOJBJXKFSA-N 2 2 314.473 3.187 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000338291231 253258444 /nfs/dbraw/zinc/25/84/44/253258444.db2.gz LHFZRRPIERBUIT-SGMGOOAPSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000338291231 253258446 /nfs/dbraw/zinc/25/84/46/253258446.db2.gz LHFZRRPIERBUIT-SGMGOOAPSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)n1-c1ccccc1 ZINC000273015552 210394352 /nfs/dbraw/zinc/39/43/52/210394352.db2.gz CSUAHDIPZHXJJV-WBVHZDCISA-N 2 2 313.445 3.476 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000159018114 197319692 /nfs/dbraw/zinc/31/96/92/197319692.db2.gz FTORQEHLHFGYFQ-LPHOPBHVSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000159018114 197319694 /nfs/dbraw/zinc/31/96/94/197319694.db2.gz FTORQEHLHFGYFQ-LPHOPBHVSA-N 2 2 321.428 3.152 20 0 DGADLP CCc1oc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1C(=O)OC ZINC000338943381 253374654 /nfs/dbraw/zinc/37/46/54/253374654.db2.gz XRJDTWMJXOPZMA-MRXNPFEDSA-N 2 2 324.465 3.085 20 0 DGADLP CSCc1cnc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000339166412 253419596 /nfs/dbraw/zinc/41/95/96/253419596.db2.gz OXFTYXMWJQWJCZ-UHFFFAOYSA-N 2 2 313.536 3.405 20 0 DGADLP COCCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000158237806 197256533 /nfs/dbraw/zinc/25/65/33/197256533.db2.gz PNNUFHPYHKZEAC-UHFFFAOYSA-N 2 2 310.869 3.321 20 0 DGADLP C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158067613 197241244 /nfs/dbraw/zinc/24/12/44/197241244.db2.gz DEBGOOMKTZFRTQ-PBHICJAKSA-N 2 2 301.434 3.320 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000342619511 254019988 /nfs/dbraw/zinc/01/99/88/254019988.db2.gz RRQHKSKXJWFLSE-IRIMSJTPSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000342619511 254019989 /nfs/dbraw/zinc/01/99/89/254019989.db2.gz RRQHKSKXJWFLSE-IRIMSJTPSA-N 2 2 302.462 3.260 20 0 DGADLP CC[C@H]1C[N@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000343112041 254102117 /nfs/dbraw/zinc/10/21/17/254102117.db2.gz WBDAKLAGSVJQFR-ZDUSSCGKSA-N 2 2 319.836 3.411 20 0 DGADLP CC[C@H]1C[N@@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000343112041 254102119 /nfs/dbraw/zinc/10/21/19/254102119.db2.gz WBDAKLAGSVJQFR-ZDUSSCGKSA-N 2 2 319.836 3.411 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000343582410 254163975 /nfs/dbraw/zinc/16/39/75/254163975.db2.gz PCQOGWLLVZCSMO-OAHLLOKOSA-N 2 2 317.433 3.420 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157374278 197182477 /nfs/dbraw/zinc/18/24/77/197182477.db2.gz JLFQIWVJKBNECU-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157374278 197182479 /nfs/dbraw/zinc/18/24/79/197182479.db2.gz JLFQIWVJKBNECU-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000343462013 254146843 /nfs/dbraw/zinc/14/68/43/254146843.db2.gz JYPAGFSJGSMKPO-WFASDCNBSA-N 2 2 315.442 3.033 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1c(F)cccc1N1CCCC1 ZINC000343621126 254169354 /nfs/dbraw/zinc/16/93/54/254169354.db2.gz LXAOWEPMWRRFOX-UHFFFAOYSA-N 2 2 319.468 3.344 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1c(F)cccc1N1CCCC1 ZINC000343621126 254169355 /nfs/dbraw/zinc/16/93/55/254169355.db2.gz LXAOWEPMWRRFOX-UHFFFAOYSA-N 2 2 319.468 3.344 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000343853407 254196488 /nfs/dbraw/zinc/19/64/88/254196488.db2.gz IAHGFVPWQOATTO-DTWKUNHWSA-N 2 2 304.341 3.098 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CCSC1 ZINC000344073612 254221109 /nfs/dbraw/zinc/22/11/09/254221109.db2.gz MCSGGCMIHVZYPF-IAGOWNOFSA-N 2 2 308.466 3.230 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)[C@@H](C)[C@@H]1OC ZINC000344102432 254225154 /nfs/dbraw/zinc/22/51/54/254225154.db2.gz NMVHWUWWOINNOF-TWMKSMIVSA-N 2 2 319.493 3.498 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@@H+]1C ZINC000344664931 254294547 /nfs/dbraw/zinc/29/45/47/254294547.db2.gz JMCGNSTZLUVYAV-YPMHNXCESA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664931 254294549 /nfs/dbraw/zinc/29/45/49/254294549.db2.gz JMCGNSTZLUVYAV-YPMHNXCESA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332163 254257870 /nfs/dbraw/zinc/25/78/70/254257870.db2.gz YFOIQCSZJZXUSM-SMDDNHRTSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332163 254257871 /nfs/dbraw/zinc/25/78/71/254257871.db2.gz YFOIQCSZJZXUSM-SMDDNHRTSA-N 2 2 302.340 3.158 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(C(C)C)s1)CCC2 ZINC000344555378 254282449 /nfs/dbraw/zinc/28/24/49/254282449.db2.gz YUFFWKRVGWGNEB-ZDUSSCGKSA-N 2 2 304.463 3.439 20 0 DGADLP CCCOc1c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cccc1OCC ZINC000344686453 254295887 /nfs/dbraw/zinc/29/58/87/254295887.db2.gz RVFBUZGSYFDCHD-WBVHZDCISA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1OCC ZINC000344686453 254295889 /nfs/dbraw/zinc/29/58/89/254295889.db2.gz RVFBUZGSYFDCHD-WBVHZDCISA-N 2 2 320.477 3.446 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cnn1C(C)(C)C ZINC000345320487 254353163 /nfs/dbraw/zinc/35/31/63/254353163.db2.gz YUXPWHIROPXMSZ-GDZNZVCISA-N 2 2 304.482 3.080 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(C)n1 ZINC000156165494 197092114 /nfs/dbraw/zinc/09/21/14/197092114.db2.gz WUFDJNPYWHXBIY-LBPRGKRZSA-N 2 2 309.417 3.253 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414889233 533182088 /nfs/dbraw/zinc/18/20/88/533182088.db2.gz LEJZVOPHDVBCPW-LJQANCHMSA-N 2 2 310.441 3.498 20 0 DGADLP OCC1([C@@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)CCC1 ZINC000293863651 285250431 /nfs/dbraw/zinc/25/04/31/285250431.db2.gz ILFUBCURHDAQGT-IBGZPJMESA-N 2 2 321.424 3.328 20 0 DGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000120491754 195177341 /nfs/dbraw/zinc/17/73/41/195177341.db2.gz DYDFWOGYMGCHNR-OAHLLOKOSA-N 2 2 303.406 3.031 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC000120740547 195227655 /nfs/dbraw/zinc/22/76/55/195227655.db2.gz CDYAODQGDTZBKK-NVXWUHKLSA-N 2 2 322.493 3.201 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000120707368 195220062 /nfs/dbraw/zinc/22/00/62/195220062.db2.gz RASCPBZBBYVSTL-CQSZACIVSA-N 2 2 300.450 3.098 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000120850503 195249879 /nfs/dbraw/zinc/24/98/79/195249879.db2.gz QAMDWYHMEKEGIG-VQIMIIECSA-N 2 2 302.462 3.187 20 0 DGADLP Cc1cc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n[nH]1 ZINC000271602856 209050602 /nfs/dbraw/zinc/05/06/02/209050602.db2.gz ITUWISBMFOYYGK-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1cc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)[nH]n1 ZINC000271602856 209050606 /nfs/dbraw/zinc/05/06/06/209050606.db2.gz ITUWISBMFOYYGK-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccc(C)o1 ZINC000289485225 221010100 /nfs/dbraw/zinc/01/01/00/221010100.db2.gz CADHJDVRNWYTDI-UHFFFAOYSA-N 2 2 302.418 3.373 20 0 DGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccc(C)o1 ZINC000289485225 221010104 /nfs/dbraw/zinc/01/01/04/221010104.db2.gz CADHJDVRNWYTDI-UHFFFAOYSA-N 2 2 302.418 3.373 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000289521676 221038055 /nfs/dbraw/zinc/03/80/55/221038055.db2.gz DTGROXKIUKEXAW-UHFFFAOYSA-N 2 2 308.385 3.162 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000423374008 533221460 /nfs/dbraw/zinc/22/14/60/533221460.db2.gz CDCPWBAUAJIISY-FZMZJTMJSA-N 2 2 311.857 3.172 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000294942330 224326682 /nfs/dbraw/zinc/32/66/82/224326682.db2.gz CUASOIJUNPVUNA-KDOFPFPSSA-N 2 2 319.518 3.380 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000289999912 221370848 /nfs/dbraw/zinc/37/08/48/221370848.db2.gz LDQFBCXOEBJSLD-UHFFFAOYSA-N 2 2 307.825 3.017 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000289999912 221370851 /nfs/dbraw/zinc/37/08/51/221370851.db2.gz LDQFBCXOEBJSLD-UHFFFAOYSA-N 2 2 307.825 3.017 20 0 DGADLP Fc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)cn1 ZINC000294961546 224340778 /nfs/dbraw/zinc/34/07/78/224340778.db2.gz CNNUPVGJFCEGKC-UHFFFAOYSA-N 2 2 309.404 3.247 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534595 285353266 /nfs/dbraw/zinc/35/32/66/285353266.db2.gz IIGHPYKEEDIDRX-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534595 285353272 /nfs/dbraw/zinc/35/32/72/285353272.db2.gz IIGHPYKEEDIDRX-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP c1sc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000352540216 285355471 /nfs/dbraw/zinc/35/54/71/285355471.db2.gz IJMAXGJQXZDEQX-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP c1sc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000352540216 285355473 /nfs/dbraw/zinc/35/54/73/285355473.db2.gz IJMAXGJQXZDEQX-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000120996443 195276677 /nfs/dbraw/zinc/27/66/77/195276677.db2.gz OQXRQFITTZPOAW-GOSISDBHSA-N 2 2 319.493 3.271 20 0 DGADLP CC(C)COc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000126496625 195844561 /nfs/dbraw/zinc/84/45/61/195844561.db2.gz QMKFRVIJFCTGBC-INIZCTEOSA-N 2 2 301.434 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138705 533628942 /nfs/dbraw/zinc/62/89/42/533628942.db2.gz IFCPMAKVHLOLNN-SFHVURJKSA-N 2 2 324.415 3.432 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138705 533628950 /nfs/dbraw/zinc/62/89/50/533628950.db2.gz IFCPMAKVHLOLNN-SFHVURJKSA-N 2 2 324.415 3.432 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138705 533628955 /nfs/dbraw/zinc/62/89/55/533628955.db2.gz IFCPMAKVHLOLNN-SFHVURJKSA-N 2 2 324.415 3.432 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(OC(F)F)cc1C ZINC000430138705 533628962 /nfs/dbraw/zinc/62/89/62/533628962.db2.gz IFCPMAKVHLOLNN-SFHVURJKSA-N 2 2 324.415 3.432 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(C)s1 ZINC000415125865 533633878 /nfs/dbraw/zinc/63/38/78/533633878.db2.gz QCGCBVMQKUNWAX-DOTOQJQBSA-N 2 2 304.434 3.431 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(C)s1 ZINC000415125865 533633883 /nfs/dbraw/zinc/63/38/83/533633883.db2.gz QCGCBVMQKUNWAX-DOTOQJQBSA-N 2 2 304.434 3.431 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000415123874 533644173 /nfs/dbraw/zinc/64/41/73/533644173.db2.gz JVOAFGHOLWPLDW-GXTWGEPZSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000415123874 533644189 /nfs/dbraw/zinc/64/41/89/533644189.db2.gz JVOAFGHOLWPLDW-GXTWGEPZSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000415067830 533657273 /nfs/dbraw/zinc/65/72/73/533657273.db2.gz PYHLANZSZOCYKZ-UXPWSPDFSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067830 533657283 /nfs/dbraw/zinc/65/72/83/533657283.db2.gz PYHLANZSZOCYKZ-UXPWSPDFSA-N 3 2 315.505 3.147 20 0 DGADLP COC[C@]1(C[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CCC[NH2+]1 ZINC000423415796 285488189 /nfs/dbraw/zinc/48/81/89/285488189.db2.gz PLJZPOKXVAHHJP-GBESFXJTSA-N 2 2 302.462 3.229 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000356877146 285535315 /nfs/dbraw/zinc/53/53/15/285535315.db2.gz RZTBCEGCTHZPIJ-CQSZACIVSA-N 2 2 320.399 3.095 20 0 DGADLP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000356950594 285574028 /nfs/dbraw/zinc/57/40/28/285574028.db2.gz JLKCCUJRWXQECQ-UHFFFAOYSA-N 2 2 323.868 3.049 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000278712598 292033201 /nfs/dbraw/zinc/03/32/01/292033201.db2.gz LRIKAKNGUKIKSQ-CYBMUJFWSA-N 2 2 317.389 3.004 20 0 DGADLP COC1(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCCC1 ZINC000319797698 292121515 /nfs/dbraw/zinc/12/15/15/292121515.db2.gz GABAPAYUGWANQB-SFHVURJKSA-N 2 2 302.462 3.372 20 0 DGADLP C[C@@]1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCOC1 ZINC000357845803 285892156 /nfs/dbraw/zinc/89/21/56/285892156.db2.gz BJWPRFBDPMBWIH-GOSISDBHSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091312414 400112399 /nfs/dbraw/zinc/11/23/99/400112399.db2.gz WMUBVXKSKFNOHN-VXGBXAGGSA-N 2 2 308.857 3.218 20 0 DGADLP CCCc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C(C)C)cc1 ZINC000091337009 400113292 /nfs/dbraw/zinc/11/32/92/400113292.db2.gz QQMMLHQGELMTNM-WOJBJXKFSA-N 2 2 317.521 3.172 20 0 DGADLP CCCc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C(C)C)cc1 ZINC000091337009 400113298 /nfs/dbraw/zinc/11/32/98/400113298.db2.gz QQMMLHQGELMTNM-WOJBJXKFSA-N 2 2 317.521 3.172 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C2CC2)cc1 ZINC000091375350 400115364 /nfs/dbraw/zinc/11/53/64/400115364.db2.gz LPAGONNWZBLYFO-QFBILLFUSA-N 2 2 302.462 3.147 20 0 DGADLP CCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000324012809 400177956 /nfs/dbraw/zinc/17/79/56/400177956.db2.gz LTEVTRHYSTUBGC-VQTJNVASSA-N 2 2 310.441 3.402 20 0 DGADLP CCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000324012809 400177960 /nfs/dbraw/zinc/17/79/60/400177960.db2.gz LTEVTRHYSTUBGC-VQTJNVASSA-N 2 2 310.441 3.402 20 0 DGADLP CCn1cc[nH+]c1CNC[C@H](c1ccccc1)[NH+](CC)CC ZINC000315375881 400145515 /nfs/dbraw/zinc/14/55/15/400145515.db2.gz DDBJJOUYICWMSM-QGZVFWFLSA-N 2 2 300.450 3.076 20 0 DGADLP Clc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071574 400151477 /nfs/dbraw/zinc/15/14/77/400151477.db2.gz WDGBVUPWZBPCMU-GFCCVEGCSA-N 2 2 315.808 3.090 20 0 DGADLP Clc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071574 400151482 /nfs/dbraw/zinc/15/14/82/400151482.db2.gz WDGBVUPWZBPCMU-GFCCVEGCSA-N 2 2 315.808 3.090 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253547 400161581 /nfs/dbraw/zinc/16/15/81/400161581.db2.gz BOONLBJZTGIXJE-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253547 400161584 /nfs/dbraw/zinc/16/15/84/400161584.db2.gz BOONLBJZTGIXJE-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253547 400161588 /nfs/dbraw/zinc/16/15/88/400161588.db2.gz BOONLBJZTGIXJE-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253547 400161590 /nfs/dbraw/zinc/16/15/90/400161590.db2.gz BOONLBJZTGIXJE-OAHLLOKOSA-N 2 2 313.445 3.017 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588688950 400223347 /nfs/dbraw/zinc/22/33/47/400223347.db2.gz LPULIGDJHMWQDP-IEBWSBKVSA-N 2 2 312.457 3.139 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588688950 400223351 /nfs/dbraw/zinc/22/33/51/400223351.db2.gz LPULIGDJHMWQDP-IEBWSBKVSA-N 2 2 312.457 3.139 20 0 DGADLP CCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687491 400223639 /nfs/dbraw/zinc/22/36/39/400223639.db2.gz FTBKRNBOCKPGEB-KRWDZBQOSA-N 2 2 323.440 3.092 20 0 DGADLP CCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687491 400223644 /nfs/dbraw/zinc/22/36/44/400223644.db2.gz FTBKRNBOCKPGEB-KRWDZBQOSA-N 2 2 323.440 3.092 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC000588688156 400223959 /nfs/dbraw/zinc/22/39/59/400223959.db2.gz QLMDTIPIMBUTCU-GOSISDBHSA-N 2 2 324.424 3.015 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC000588688156 400223964 /nfs/dbraw/zinc/22/39/64/400223964.db2.gz QLMDTIPIMBUTCU-GOSISDBHSA-N 2 2 324.424 3.015 20 0 DGADLP C[C@H](c1cccs1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690205 400224125 /nfs/dbraw/zinc/22/41/25/400224125.db2.gz BTVLRWWQLDKLNN-NVXWUHKLSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690205 400224128 /nfs/dbraw/zinc/22/41/28/400224128.db2.gz BTVLRWWQLDKLNN-NVXWUHKLSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@H](c1cccs1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690205 400224132 /nfs/dbraw/zinc/22/41/32/400224132.db2.gz BTVLRWWQLDKLNN-NVXWUHKLSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@H](c1cccs1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690205 400224134 /nfs/dbraw/zinc/22/41/34/400224134.db2.gz BTVLRWWQLDKLNN-NVXWUHKLSA-N 2 2 318.486 3.234 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000093079087 400225203 /nfs/dbraw/zinc/22/52/03/400225203.db2.gz GGXLSYVFBNEYRP-MJGOQNOKSA-N 2 2 323.440 3.016 20 0 DGADLP Cc1nc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000378914795 400255778 /nfs/dbraw/zinc/25/57/78/400255778.db2.gz LIFPUKQAMFUAAI-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000093741921 400253609 /nfs/dbraw/zinc/25/36/09/400253609.db2.gz SBVVKGHNYGMRGS-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000093741921 400253612 /nfs/dbraw/zinc/25/36/12/400253612.db2.gz SBVVKGHNYGMRGS-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093741921 400253617 /nfs/dbraw/zinc/25/36/17/400253617.db2.gz SBVVKGHNYGMRGS-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093741921 400253622 /nfs/dbraw/zinc/25/36/22/400253622.db2.gz SBVVKGHNYGMRGS-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1N(C)C ZINC000093942050 400264086 /nfs/dbraw/zinc/26/40/86/400264086.db2.gz FQEKCQPOKGQIBA-HNNXBMFYSA-N 2 2 321.428 3.184 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H]1[NH3+] ZINC000094341758 400272890 /nfs/dbraw/zinc/27/28/90/400272890.db2.gz YXHVTBZDCIOEMY-RISCZKNCSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H]1[NH3+] ZINC000094341758 400272896 /nfs/dbraw/zinc/27/28/96/400272896.db2.gz YXHVTBZDCIOEMY-RISCZKNCSA-N 2 2 305.809 3.164 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cnc2ccccc2n1 ZINC000391848384 400277585 /nfs/dbraw/zinc/27/75/85/400277585.db2.gz QMHCNUSZUMQAGN-UHFFFAOYSA-N 2 2 317.396 3.078 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](C)CC3)c2cc1C ZINC000068828139 400293171 /nfs/dbraw/zinc/29/31/71/400293171.db2.gz WIZDIUZIJGWQEB-WMLDXEAASA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](C)CC3)c2cc1C ZINC000068828139 400293177 /nfs/dbraw/zinc/29/31/77/400293177.db2.gz WIZDIUZIJGWQEB-WMLDXEAASA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCCCC1 ZINC000589731107 400324073 /nfs/dbraw/zinc/32/40/73/400324073.db2.gz QYBHGOZGOSDVMW-GOSISDBHSA-N 2 2 324.509 3.353 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866339 400258251 /nfs/dbraw/zinc/25/82/51/400258251.db2.gz VAZPYTUDUCAAOL-OAHLLOKOSA-N 2 2 317.458 3.390 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866339 400258254 /nfs/dbraw/zinc/25/82/54/400258254.db2.gz VAZPYTUDUCAAOL-OAHLLOKOSA-N 2 2 317.458 3.390 20 0 DGADLP Fc1ccc(F)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000069676001 400338254 /nfs/dbraw/zinc/33/82/54/400338254.db2.gz MCRSIXJCPZENGF-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1sccc1Br ZINC000041050976 400403259 /nfs/dbraw/zinc/40/32/59/400403259.db2.gz FQNZTPOGKZLCKA-SECBINFHSA-N 2 2 300.225 3.058 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000044530669 400494951 /nfs/dbraw/zinc/49/49/51/400494951.db2.gz LZCYQEKACZMUQR-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000044530669 400494955 /nfs/dbraw/zinc/49/49/55/400494955.db2.gz LZCYQEKACZMUQR-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP CCn1cc[nH+]c1CN1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000592139709 400613362 /nfs/dbraw/zinc/61/33/62/400613362.db2.gz XLTGIDAKTAEUIC-IBGZPJMESA-N 2 2 324.472 3.098 20 0 DGADLP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000597238393 400596087 /nfs/dbraw/zinc/59/60/87/400596087.db2.gz IGDOCKBEDYUNGX-SJLPKXTDSA-N 2 2 304.434 3.034 20 0 DGADLP CC(C)(C)OC(=O)CC1([NH2+]CCCn2cc[nH+]c2)CCCCC1 ZINC000602877664 400596468 /nfs/dbraw/zinc/59/64/68/400596468.db2.gz IYDLBCYCFXSPDY-UHFFFAOYSA-N 2 2 321.465 3.298 20 0 DGADLP Clc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000075758121 400609742 /nfs/dbraw/zinc/60/97/42/400609742.db2.gz WYBFEZNQVNICIQ-UHFFFAOYSA-N 2 2 301.777 3.468 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000682534618 549335783 /nfs/dbraw/zinc/33/57/83/549335783.db2.gz QBOKDMWRYOUKHR-WMZOPIPTSA-N 2 2 319.493 3.087 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000682534618 549335787 /nfs/dbraw/zinc/33/57/87/549335787.db2.gz QBOKDMWRYOUKHR-WMZOPIPTSA-N 2 2 319.493 3.087 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1csc2ccccc12 ZINC000076897851 400678626 /nfs/dbraw/zinc/67/86/26/400678626.db2.gz GEVQSHDVHPBEMC-AWEZNQCLSA-N 2 2 304.459 3.102 20 0 DGADLP C[C@H]1C[NH+](Cc2ccc(CNc3cccc[nH+]3)cc2)C[C@H](C)O1 ZINC000076925979 400680666 /nfs/dbraw/zinc/68/06/66/400680666.db2.gz HSMNZTPKRJGILJ-HOTGVXAUSA-N 2 2 311.429 3.303 20 0 DGADLP CCC(C)(C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603937859 400735383 /nfs/dbraw/zinc/73/53/83/400735383.db2.gz NUPYVLNCKQQDDU-HNNXBMFYSA-N 2 2 303.450 3.134 20 0 DGADLP CCC(C)(C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000603937859 400735387 /nfs/dbraw/zinc/73/53/87/400735387.db2.gz NUPYVLNCKQQDDU-HNNXBMFYSA-N 2 2 303.450 3.134 20 0 DGADLP CCC1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051451803 400702417 /nfs/dbraw/zinc/70/24/17/400702417.db2.gz RMGBQRZRWNDGMO-KRWDZBQOSA-N 2 2 315.461 3.136 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000171145189 400787098 /nfs/dbraw/zinc/78/70/98/400787098.db2.gz ADWDORMUGZSNFW-UHFFFAOYSA-N 2 2 308.470 3.137 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000171145189 400787105 /nfs/dbraw/zinc/78/71/05/400787105.db2.gz ADWDORMUGZSNFW-UHFFFAOYSA-N 2 2 308.470 3.137 20 0 DGADLP CC(C)C[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358154163 285984491 /nfs/dbraw/zinc/98/44/91/285984491.db2.gz NDNYCSCBKYZMFF-MJGOQNOKSA-N 2 2 304.478 3.474 20 0 DGADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063355 400945121 /nfs/dbraw/zinc/94/51/21/400945121.db2.gz BOSVJWJNWVNIPC-DOTOQJQBSA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599063355 400945125 /nfs/dbraw/zinc/94/51/25/400945125.db2.gz BOSVJWJNWVNIPC-DOTOQJQBSA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000599065103 400946989 /nfs/dbraw/zinc/94/69/89/400946989.db2.gz NWDIUCWEBKDZGG-LEOMRAHMSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000599065103 400946995 /nfs/dbraw/zinc/94/69/95/400946995.db2.gz NWDIUCWEBKDZGG-LEOMRAHMSA-N 2 2 322.493 3.105 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958820 401007919 /nfs/dbraw/zinc/00/79/19/401007919.db2.gz KCZBLOAAOYRYEC-ZDUSSCGKSA-N 2 2 305.809 3.322 20 0 DGADLP Clc1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958820 401007926 /nfs/dbraw/zinc/00/79/26/401007926.db2.gz KCZBLOAAOYRYEC-ZDUSSCGKSA-N 2 2 305.809 3.322 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000599298885 401013836 /nfs/dbraw/zinc/01/38/36/401013836.db2.gz AIAKIXHOQQHNOE-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000599298885 401013838 /nfs/dbraw/zinc/01/38/38/401013838.db2.gz AIAKIXHOQQHNOE-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000599298885 401013841 /nfs/dbraw/zinc/01/38/41/401013841.db2.gz AIAKIXHOQQHNOE-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000599298885 401013844 /nfs/dbraw/zinc/01/38/44/401013844.db2.gz AIAKIXHOQQHNOE-JKSUJKDBSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000629532342 400963487 /nfs/dbraw/zinc/96/34/87/400963487.db2.gz WFMBROUMJWXJDX-QXGSTGNESA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559793 400974819 /nfs/dbraw/zinc/97/48/19/400974819.db2.gz CMZYWYOSWAIANS-ADEWGFFLSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559793 400974825 /nfs/dbraw/zinc/97/48/25/400974825.db2.gz CMZYWYOSWAIANS-ADEWGFFLSA-N 2 2 322.321 3.485 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629560793 400975932 /nfs/dbraw/zinc/97/59/32/400975932.db2.gz PEFATIQXCXVNJW-STQMWFEESA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629560793 400975935 /nfs/dbraw/zinc/97/59/35/400975935.db2.gz PEFATIQXCXVNJW-STQMWFEESA-N 2 2 304.331 3.093 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563509 400977180 /nfs/dbraw/zinc/97/71/80/400977180.db2.gz RDQYXQWEUXJZKG-NRUUGDAUSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563509 400977186 /nfs/dbraw/zinc/97/71/86/400977186.db2.gz RDQYXQWEUXJZKG-NRUUGDAUSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562683 400977920 /nfs/dbraw/zinc/97/79/20/400977920.db2.gz CHVHOORRSCPAAW-AAEUAGOBSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562683 400977925 /nfs/dbraw/zinc/97/79/25/400977925.db2.gz CHVHOORRSCPAAW-AAEUAGOBSA-N 2 2 306.759 3.299 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000625267447 401078356 /nfs/dbraw/zinc/07/83/56/401078356.db2.gz XULQEVPXBJDLEI-WBMJQRKESA-N 2 2 305.809 3.325 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000625267447 401078360 /nfs/dbraw/zinc/07/83/60/401078360.db2.gz XULQEVPXBJDLEI-WBMJQRKESA-N 2 2 305.809 3.325 20 0 DGADLP Oc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268429 401078694 /nfs/dbraw/zinc/07/86/94/401078694.db2.gz YLQGJBXQTMNEBY-ACJLOTCBSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268429 401078703 /nfs/dbraw/zinc/07/87/03/401078703.db2.gz YLQGJBXQTMNEBY-ACJLOTCBSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000625268429 401078708 /nfs/dbraw/zinc/07/87/08/401078708.db2.gz YLQGJBXQTMNEBY-ACJLOTCBSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000625268429 401078718 /nfs/dbraw/zinc/07/87/18/401078718.db2.gz YLQGJBXQTMNEBY-ACJLOTCBSA-N 2 2 320.864 3.494 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656966 401021880 /nfs/dbraw/zinc/02/18/80/401021880.db2.gz SFPUOVWNLLWFBG-KBPBESRZSA-N 2 2 316.367 3.044 20 0 DGADLP CCOc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656966 401021881 /nfs/dbraw/zinc/02/18/81/401021881.db2.gz SFPUOVWNLLWFBG-KBPBESRZSA-N 2 2 316.367 3.044 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1F ZINC000629657432 401021890 /nfs/dbraw/zinc/02/18/90/401021890.db2.gz XTAYWOWZQMXNME-CHWSQXEVSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1F ZINC000629657432 401021892 /nfs/dbraw/zinc/02/18/92/401021892.db2.gz XTAYWOWZQMXNME-CHWSQXEVSA-N 2 2 304.331 3.093 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599329361 401023312 /nfs/dbraw/zinc/02/33/12/401023312.db2.gz HMSVVZGOVGEINS-CABCVRRESA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599329361 401023316 /nfs/dbraw/zinc/02/33/16/401023316.db2.gz HMSVVZGOVGEINS-CABCVRRESA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000599345116 401028382 /nfs/dbraw/zinc/02/83/82/401028382.db2.gz MJDAJBFWCBHQOH-MRXNPFEDSA-N 2 2 324.509 3.303 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000599345116 401028384 /nfs/dbraw/zinc/02/83/84/401028384.db2.gz MJDAJBFWCBHQOH-MRXNPFEDSA-N 2 2 324.509 3.303 20 0 DGADLP Clc1cncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268943 401145814 /nfs/dbraw/zinc/14/58/14/401145814.db2.gz DHIRIOZZDKQRAG-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268943 401145818 /nfs/dbraw/zinc/14/58/18/401145818.db2.gz DHIRIOZZDKQRAG-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621268943 401145822 /nfs/dbraw/zinc/14/58/22/401145822.db2.gz DHIRIOZZDKQRAG-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621268943 401145827 /nfs/dbraw/zinc/14/58/27/401145827.db2.gz DHIRIOZZDKQRAG-YOEHRIQHSA-N 2 2 305.853 3.184 20 0 DGADLP CC(C)(C)C1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000607751620 401117192 /nfs/dbraw/zinc/11/71/92/401117192.db2.gz GCNKQVZKJISAJY-XBMUEBEBSA-N 2 2 322.537 3.493 20 0 DGADLP CC(C)(C)C1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000607751620 401117197 /nfs/dbraw/zinc/11/71/97/401117197.db2.gz GCNKQVZKJISAJY-XBMUEBEBSA-N 2 2 322.537 3.493 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224292 286002877 /nfs/dbraw/zinc/00/28/77/286002877.db2.gz BTLOQMHZMCHVEI-XOBRGWDASA-N 2 2 324.424 3.303 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224292 286002878 /nfs/dbraw/zinc/00/28/78/286002878.db2.gz BTLOQMHZMCHVEI-XOBRGWDASA-N 2 2 324.424 3.303 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c1 ZINC000620439872 401094690 /nfs/dbraw/zinc/09/46/90/401094690.db2.gz SOVJIKJELDCWEG-SFHVURJKSA-N 2 2 304.478 3.058 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000620439872 401094697 /nfs/dbraw/zinc/09/46/97/401094697.db2.gz SOVJIKJELDCWEG-SFHVURJKSA-N 2 2 304.478 3.058 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000358305531 286026700 /nfs/dbraw/zinc/02/67/00/286026700.db2.gz VFNSTRNJUJHIJD-AYOQOUSVSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000358305531 286026701 /nfs/dbraw/zinc/02/67/01/286026701.db2.gz VFNSTRNJUJHIJD-AYOQOUSVSA-N 2 2 324.472 3.430 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625655541 401174627 /nfs/dbraw/zinc/17/46/27/401174627.db2.gz OIVBUBLZLDJHKX-OAHLLOKOSA-N 2 2 305.372 3.349 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625655541 401174630 /nfs/dbraw/zinc/17/46/30/401174630.db2.gz OIVBUBLZLDJHKX-OAHLLOKOSA-N 2 2 305.372 3.349 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000621351279 401179613 /nfs/dbraw/zinc/17/96/13/401179613.db2.gz LMNKIFKLKDWEPK-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000621351279 401179619 /nfs/dbraw/zinc/17/96/19/401179619.db2.gz LMNKIFKLKDWEPK-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP CSCC1(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000594975301 401216406 /nfs/dbraw/zinc/21/64/06/401216406.db2.gz QBVYQBVIWOKPSH-UHFFFAOYSA-N 2 2 319.518 3.169 20 0 DGADLP CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090800948 401273588 /nfs/dbraw/zinc/27/35/88/401273588.db2.gz XWGIHEXZWZCPQE-OAHLLOKOSA-N 2 2 301.434 3.322 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nccnc2C)CC1 ZINC000621725599 401286186 /nfs/dbraw/zinc/28/61/86/401286186.db2.gz UZQOKSNSVBKBCR-UHFFFAOYSA-N 2 2 321.428 3.280 20 0 DGADLP CC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000090047262 401249384 /nfs/dbraw/zinc/24/93/84/401249384.db2.gz BFESUSHOLJGHSA-PBHICJAKSA-N 2 2 310.869 3.492 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000090047261 401249653 /nfs/dbraw/zinc/24/96/53/401249653.db2.gz BFESUSHOLJGHSA-WMLDXEAASA-N 2 2 310.869 3.492 20 0 DGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047050 401250108 /nfs/dbraw/zinc/25/01/08/401250108.db2.gz NHLAYWUNVZDENJ-IAGOWNOFSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050343 401250970 /nfs/dbraw/zinc/25/09/70/401250970.db2.gz CJUVGWYIWXAAGN-OAHLLOKOSA-N 2 2 315.461 3.301 20 0 DGADLP CC(C)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C(C)C)[nH+]1 ZINC000090102007 401257271 /nfs/dbraw/zinc/25/72/71/401257271.db2.gz CRMAURIMVDBADV-CABCVRRESA-N 2 2 302.466 3.396 20 0 DGADLP CC(C)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C(C)C)[nH+]1 ZINC000090102007 401257273 /nfs/dbraw/zinc/25/72/73/401257273.db2.gz CRMAURIMVDBADV-CABCVRRESA-N 2 2 302.466 3.396 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@H](C)C1 ZINC000090177297 401261827 /nfs/dbraw/zinc/26/18/27/401261827.db2.gz OGZQCXFBVBLNEC-RISCZKNCSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@H](C)C1 ZINC000090177297 401261832 /nfs/dbraw/zinc/26/18/32/401261832.db2.gz OGZQCXFBVBLNEC-RISCZKNCSA-N 2 2 316.367 3.247 20 0 DGADLP FC1(F)CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000358374263 286044538 /nfs/dbraw/zinc/04/45/38/286044538.db2.gz FOFMZZDKYIJGSN-UHFFFAOYSA-N 2 2 309.404 3.214 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000634678158 401330746 /nfs/dbraw/zinc/33/07/46/401330746.db2.gz KTQUWZQWLYDPRY-MOPGFXCFSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000634678158 401330749 /nfs/dbraw/zinc/33/07/49/401330749.db2.gz KTQUWZQWLYDPRY-MOPGFXCFSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1OC ZINC000622004252 401335356 /nfs/dbraw/zinc/33/53/56/401335356.db2.gz MNTCAZYGYWRYLO-URLQWDBASA-N 2 2 318.461 3.186 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1OC ZINC000622004252 401335358 /nfs/dbraw/zinc/33/53/58/401335358.db2.gz MNTCAZYGYWRYLO-URLQWDBASA-N 2 2 318.461 3.186 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000626088658 401297106 /nfs/dbraw/zinc/29/71/06/401297106.db2.gz IJSWGFSAZUZBLI-MOPGFXCFSA-N 2 2 314.473 3.119 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000626088661 401297372 /nfs/dbraw/zinc/29/73/72/401297372.db2.gz IJSWGFSAZUZBLI-RTBURBONSA-N 2 2 314.473 3.119 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102209 401300429 /nfs/dbraw/zinc/30/04/29/401300429.db2.gz YEQWYVDSYTWRCH-LSDHHAIUSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102209 401300433 /nfs/dbraw/zinc/30/04/33/401300433.db2.gz YEQWYVDSYTWRCH-LSDHHAIUSA-N 2 2 317.260 3.101 20 0 DGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1Br ZINC000634990366 401396620 /nfs/dbraw/zinc/39/66/20/401396620.db2.gz IKIPHQGNCHXJEB-UHFFFAOYSA-N 2 2 320.234 3.190 20 0 DGADLP Nc1ccc(-c2cccc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)n2)cc1 ZINC000634994517 401397504 /nfs/dbraw/zinc/39/75/04/401397504.db2.gz GJKUDZAQPZRYFU-FQEVSTJZSA-N 2 2 324.472 3.328 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccs1 ZINC000631195988 401423915 /nfs/dbraw/zinc/42/39/15/401423915.db2.gz MBBJOOMEFACHQY-HOCLYGCPSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccs1 ZINC000631195988 401423918 /nfs/dbraw/zinc/42/39/18/401423918.db2.gz MBBJOOMEFACHQY-HOCLYGCPSA-N 2 2 301.459 3.001 20 0 DGADLP CC(C)C[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)n1cc[nH+]c1 ZINC000635458570 401444739 /nfs/dbraw/zinc/44/47/39/401444739.db2.gz GGBQWDNKKHUUFO-MRXNPFEDSA-N 2 2 323.400 3.499 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000358409987 286054250 /nfs/dbraw/zinc/05/42/50/286054250.db2.gz VHDIAARXJCGJCD-ZNOIYHFQSA-N 2 2 300.446 3.145 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000358409987 286054251 /nfs/dbraw/zinc/05/42/51/286054251.db2.gz VHDIAARXJCGJCD-ZNOIYHFQSA-N 2 2 300.446 3.145 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@H](c1ccccc1)[NH+](C)C ZINC000623015254 401454061 /nfs/dbraw/zinc/45/40/61/401454061.db2.gz SBKNSZMEFGFICX-FZKQIMNGSA-N 2 2 301.409 3.189 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(F)c1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000623015253 401454182 /nfs/dbraw/zinc/45/41/82/401454182.db2.gz SBKNSZMEFGFICX-ACJLOTCBSA-N 2 2 301.409 3.189 20 0 DGADLP CSc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623088561 401463152 /nfs/dbraw/zinc/46/31/52/401463152.db2.gz SLWDCTHKGYWXBB-UHFFFAOYSA-N 2 2 314.445 3.475 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000623089319 401463700 /nfs/dbraw/zinc/46/37/00/401463700.db2.gz BRJQUHQFFXTJLA-UHFFFAOYSA-N 2 2 308.372 3.500 20 0 DGADLP Cc1cc(N2CCC(C)([NH+]3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000631446430 401472130 /nfs/dbraw/zinc/47/21/30/401472130.db2.gz YFCLWDNCRTYSIL-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP COc1cccc2c1OCCC[C@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000631600569 401510872 /nfs/dbraw/zinc/51/08/72/401510872.db2.gz AVMGVPOCTZPZIH-QGZVFWFLSA-N 2 2 312.413 3.445 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623425816 401514357 /nfs/dbraw/zinc/51/43/57/401514357.db2.gz PBCHTQVPFPIYKQ-UHFFFAOYSA-N 2 2 319.412 3.172 20 0 DGADLP Cc1[nH]c(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[nH+]c1C ZINC000628163586 401539601 /nfs/dbraw/zinc/53/96/01/401539601.db2.gz JNDIRCGTQUAWTA-UHFFFAOYSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH+]c1C ZINC000628163586 401539604 /nfs/dbraw/zinc/53/96/04/401539604.db2.gz JNDIRCGTQUAWTA-UHFFFAOYSA-N 2 2 312.461 3.123 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000631661676 401527788 /nfs/dbraw/zinc/52/77/88/401527788.db2.gz BKVQMJBPSVEHTA-KCITZHQASA-N 2 2 324.472 3.247 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000631661676 401527793 /nfs/dbraw/zinc/52/77/93/401527793.db2.gz BKVQMJBPSVEHTA-KCITZHQASA-N 2 2 324.472 3.247 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](c2cccc(C)c2)C(C)C)CC1 ZINC000623903313 401597199 /nfs/dbraw/zinc/59/71/99/401597199.db2.gz BVRGRIUETWDPSQ-LJQANCHMSA-N 2 2 304.478 3.393 20 0 DGADLP c1nc(C2CC2)oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000628190436 401546773 /nfs/dbraw/zinc/54/67/73/401546773.db2.gz GDJOIZKAFIOHAN-PBHICJAKSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000628190436 401546776 /nfs/dbraw/zinc/54/67/76/401546776.db2.gz GDJOIZKAFIOHAN-PBHICJAKSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000628190436 401546778 /nfs/dbraw/zinc/54/67/78/401546778.db2.gz GDJOIZKAFIOHAN-PBHICJAKSA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000628190436 401546785 /nfs/dbraw/zinc/54/67/85/401546785.db2.gz GDJOIZKAFIOHAN-PBHICJAKSA-N 2 2 301.434 3.001 20 0 DGADLP CCC[C@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OCC ZINC000623598568 401552895 /nfs/dbraw/zinc/55/28/95/401552895.db2.gz GSQOMXUQCRRMQR-GOSISDBHSA-N 2 2 301.434 3.476 20 0 DGADLP FC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000631798649 401555674 /nfs/dbraw/zinc/55/56/74/401555674.db2.gz WXLRXLOELHWVBW-ROUUACIJSA-N 2 2 324.415 3.069 20 0 DGADLP FC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000631798648 401555978 /nfs/dbraw/zinc/55/59/78/401555978.db2.gz WXLRXLOELHWVBW-QZTJIDSGSA-N 2 2 324.415 3.069 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234643 401556369 /nfs/dbraw/zinc/55/63/69/401556369.db2.gz HULSQUDMQKSSGT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234643 401556373 /nfs/dbraw/zinc/55/63/73/401556373.db2.gz HULSQUDMQKSSGT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234643 401556376 /nfs/dbraw/zinc/55/63/76/401556376.db2.gz HULSQUDMQKSSGT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCc3cccc(C(F)(F)F)c3)[C@H]2C1 ZINC000628234643 401556379 /nfs/dbraw/zinc/55/63/79/401556379.db2.gz HULSQUDMQKSSGT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858749 401561257 /nfs/dbraw/zinc/56/12/57/401561257.db2.gz CZHQTNXKOKERRA-DOTOQJQBSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858749 401561262 /nfs/dbraw/zinc/56/12/62/401561262.db2.gz CZHQTNXKOKERRA-DOTOQJQBSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H](C)c1nc2ccccc2s1 ZINC000624100833 401626153 /nfs/dbraw/zinc/62/61/53/401626153.db2.gz MMGZHVCHABNLBJ-BFHYXJOUSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H](C)c1nc2ccccc2s1 ZINC000624100833 401626154 /nfs/dbraw/zinc/62/61/54/401626154.db2.gz MMGZHVCHABNLBJ-BFHYXJOUSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100800 401626160 /nfs/dbraw/zinc/62/61/60/401626160.db2.gz IIHUVBSMSCGZRF-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100800 401626162 /nfs/dbraw/zinc/62/61/62/401626162.db2.gz IIHUVBSMSCGZRF-SWLSCSKDSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121995 401629084 /nfs/dbraw/zinc/62/90/84/401629084.db2.gz HKTOVLPXVIUENC-ZIAGYGMSSA-N 2 2 307.507 3.404 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121995 401629085 /nfs/dbraw/zinc/62/90/85/401629085.db2.gz HKTOVLPXVIUENC-ZIAGYGMSSA-N 2 2 307.507 3.404 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624231244 401641865 /nfs/dbraw/zinc/64/18/65/401641865.db2.gz UDQGATIWKGCDLN-RYQLBKOJSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624231244 401641868 /nfs/dbraw/zinc/64/18/68/401641868.db2.gz UDQGATIWKGCDLN-RYQLBKOJSA-N 2 2 322.880 3.022 20 0 DGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000624017410 401613905 /nfs/dbraw/zinc/61/39/05/401613905.db2.gz ZSCNMVMSZALYSF-CABCVRRESA-N 2 2 305.491 3.232 20 0 DGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624017410 401613907 /nfs/dbraw/zinc/61/39/07/401613907.db2.gz ZSCNMVMSZALYSF-CABCVRRESA-N 2 2 305.491 3.232 20 0 DGADLP Oc1cccc2c(NC[C@H]3CCC[N@@H+]3CC(F)F)cc[nH+]c12 ZINC000624519344 401667524 /nfs/dbraw/zinc/66/75/24/401667524.db2.gz DEJOPYUYLRSKBK-LLVKDONJSA-N 2 2 307.344 3.082 20 0 DGADLP Oc1cccc2c(NC[C@H]3CCC[N@H+]3CC(F)F)cc[nH+]c12 ZINC000624519344 401667525 /nfs/dbraw/zinc/66/75/25/401667525.db2.gz DEJOPYUYLRSKBK-LLVKDONJSA-N 2 2 307.344 3.082 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC000629396060 401683937 /nfs/dbraw/zinc/68/39/37/401683937.db2.gz IGEHAAPXCUSYFC-WMLDXEAASA-N 2 2 321.896 3.035 20 0 DGADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2[nH]c(=O)oc2c1 ZINC000359293727 286277109 /nfs/dbraw/zinc/27/71/09/286277109.db2.gz TZRQBBUSDIRQOS-MRXNPFEDSA-N 2 2 314.389 3.107 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2[nH+]1 ZINC000359326635 286284716 /nfs/dbraw/zinc/28/47/16/286284716.db2.gz ZAQMVRURDAHOAL-UHFFFAOYSA-N 2 2 314.414 3.247 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nccc(C)n2)cc1 ZINC000359516061 286324578 /nfs/dbraw/zinc/32/45/78/286324578.db2.gz RXBHCSQHYFPYGG-AWEZNQCLSA-N 2 2 307.401 3.130 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1cn2c(cccc2C)[nH+]1 ZINC000359583313 286341413 /nfs/dbraw/zinc/34/14/13/286341413.db2.gz OZGWMAMWBUSSFI-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)C1 ZINC000359622646 286349024 /nfs/dbraw/zinc/34/90/24/286349024.db2.gz SMOOPCYGNLVVIO-ZSZQSSIHSA-N 2 2 318.461 3.085 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)C1 ZINC000359622646 286349027 /nfs/dbraw/zinc/34/90/27/286349027.db2.gz SMOOPCYGNLVVIO-ZSZQSSIHSA-N 2 2 318.461 3.085 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)CCCOC)[N@@H+]1CCc2ccccc2C1 ZINC000359661000 286355959 /nfs/dbraw/zinc/35/59/59/286355959.db2.gz DYDITIHDPBMXQG-VQIMIIECSA-N 2 2 304.478 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)CCCOC)[N@H+]1CCc2ccccc2C1 ZINC000359661000 286355962 /nfs/dbraw/zinc/35/59/62/286355962.db2.gz DYDITIHDPBMXQG-VQIMIIECSA-N 2 2 304.478 3.228 20 0 DGADLP CC[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCOC1 ZINC000359661554 286356055 /nfs/dbraw/zinc/35/60/55/286356055.db2.gz NWAQFVIWHXYSOM-GBESFXJTSA-N 2 2 302.462 3.228 20 0 DGADLP CC[C@@H](C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1)[NH+](CC)CC ZINC000359686683 286361009 /nfs/dbraw/zinc/36/10/09/286361009.db2.gz VUKSGLAMIMITBT-INIZCTEOSA-N 2 2 314.433 3.444 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713819 286366543 /nfs/dbraw/zinc/36/65/43/286366543.db2.gz BYOSKNUPFOCJRN-LIRRHRJNSA-N 2 2 300.446 3.048 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713819 286366545 /nfs/dbraw/zinc/36/65/45/286366545.db2.gz BYOSKNUPFOCJRN-LIRRHRJNSA-N 2 2 300.446 3.048 20 0 DGADLP COC1(C[NH2+]CCCc2[nH+]c3ccccc3n2C)CCCC1 ZINC000359730953 286369748 /nfs/dbraw/zinc/36/97/48/286369748.db2.gz NGWZZZPBOFZDEO-UHFFFAOYSA-N 2 2 301.434 3.055 20 0 DGADLP c1ccc(NCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000361541512 286686563 /nfs/dbraw/zinc/68/65/63/286686563.db2.gz QEGOUWATXRHBKI-UHFFFAOYSA-N 2 2 324.472 3.138 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)C[NH+]1CCOCC1 ZINC000361882014 286738680 /nfs/dbraw/zinc/73/86/80/286738680.db2.gz YFOVIYSFKBNNOK-QFBILLFUSA-N 2 2 302.462 3.012 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000153169360 287035459 /nfs/dbraw/zinc/03/54/59/287035459.db2.gz UDBJPKQIUGKQNN-QWHCGFSZSA-N 2 2 314.832 3.098 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000364845997 287067016 /nfs/dbraw/zinc/06/70/16/287067016.db2.gz ZFRURGQTSBWJAV-SJORKVTESA-N 2 2 304.503 3.382 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000364845997 287067017 /nfs/dbraw/zinc/06/70/17/287067017.db2.gz ZFRURGQTSBWJAV-SJORKVTESA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000185215278 164995614 /nfs/dbraw/zinc/99/56/14/164995614.db2.gz IDRXENPHJWLTSR-JKSUJKDBSA-N 2 2 305.466 3.455 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C1CCSCC1 ZINC000186947936 165067671 /nfs/dbraw/zinc/06/76/71/165067671.db2.gz KCSYIKIQHSRSLP-ZDUSSCGKSA-N 2 2 303.475 3.466 20 0 DGADLP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000188813871 165137326 /nfs/dbraw/zinc/13/73/26/165137326.db2.gz CVJDWWWRIVUXRH-SJORKVTESA-N 2 2 322.880 3.462 20 0 DGADLP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000188813775 165137494 /nfs/dbraw/zinc/13/74/94/165137494.db2.gz CJQFMOONKUZURG-QZTJIDSGSA-N 2 2 322.880 3.462 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1nccn1-c1ccccc1)C(C)(C)C ZINC000191095414 165230528 /nfs/dbraw/zinc/23/05/28/165230528.db2.gz UMJIDLCQEGCXSF-KRWDZBQOSA-N 2 2 314.477 3.328 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000191937904 165274998 /nfs/dbraw/zinc/27/49/98/165274998.db2.gz JXBLDEICVXCESZ-MRXNPFEDSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000191937904 165275000 /nfs/dbraw/zinc/27/50/00/165275000.db2.gz JXBLDEICVXCESZ-MRXNPFEDSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000192070865 165281224 /nfs/dbraw/zinc/28/12/24/165281224.db2.gz OLERJJSUCQMGCO-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000192070865 165281227 /nfs/dbraw/zinc/28/12/27/165281227.db2.gz OLERJJSUCQMGCO-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193044923 165316469 /nfs/dbraw/zinc/31/64/69/165316469.db2.gz FBXPLUAJYGEHOR-MQVJKMGUSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193044923 165316473 /nfs/dbraw/zinc/31/64/73/165316473.db2.gz FBXPLUAJYGEHOR-MQVJKMGUSA-N 2 2 308.853 3.454 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000365272235 287116689 /nfs/dbraw/zinc/11/66/89/287116689.db2.gz IIHMDKABZBATSC-QZTJIDSGSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000365272235 287116692 /nfs/dbraw/zinc/11/66/92/287116692.db2.gz IIHMDKABZBATSC-QZTJIDSGSA-N 2 2 311.429 3.039 20 0 DGADLP c1cn2c(cccc2C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)[nH+]1 ZINC000365505643 287139537 /nfs/dbraw/zinc/13/95/37/287139537.db2.gz PWNHGRWEAOFKEC-QGZVFWFLSA-N 2 2 320.440 3.341 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246660589 432152083 /nfs/dbraw/zinc/15/20/83/432152083.db2.gz JAKASRRCMWZENP-CABCVRRESA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246660589 432152084 /nfs/dbraw/zinc/15/20/84/432152084.db2.gz JAKASRRCMWZENP-CABCVRRESA-N 2 2 308.853 3.055 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000136380736 432154373 /nfs/dbraw/zinc/15/43/73/432154373.db2.gz LTGIBOOHOXHRPS-LJQANCHMSA-N 3 2 318.509 3.170 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000136380736 432154375 /nfs/dbraw/zinc/15/43/75/432154375.db2.gz LTGIBOOHOXHRPS-LJQANCHMSA-N 3 2 318.509 3.170 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](C)[C@H]3C)c2cc1C ZINC000246726318 432158446 /nfs/dbraw/zinc/15/84/46/432158446.db2.gz LXTGMLBMJIWFLD-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](C)[C@H]3C)c2cc1C ZINC000246726318 432158451 /nfs/dbraw/zinc/15/84/51/432158451.db2.gz LXTGMLBMJIWFLD-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2cn1 ZINC000269431499 432172246 /nfs/dbraw/zinc/17/22/46/432172246.db2.gz PREZZIUXYROGRN-KSSFIOAISA-N 2 2 308.429 3.083 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2cn1 ZINC000269431499 432172249 /nfs/dbraw/zinc/17/22/49/432172249.db2.gz PREZZIUXYROGRN-KSSFIOAISA-N 2 2 308.429 3.083 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000171860117 432179508 /nfs/dbraw/zinc/17/95/08/432179508.db2.gz HBJNRDUWXHOCKL-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000171860117 432179512 /nfs/dbraw/zinc/17/95/12/432179512.db2.gz HBJNRDUWXHOCKL-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246935756 432182281 /nfs/dbraw/zinc/18/22/81/432182281.db2.gz GSRKUNZAMVCKPF-IPELMVKDSA-N 2 2 313.445 3.464 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000137200199 432174054 /nfs/dbraw/zinc/17/40/54/432174054.db2.gz BINHTTLDWBSTFI-LLVKDONJSA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000137200199 432174059 /nfs/dbraw/zinc/17/40/59/432174059.db2.gz BINHTTLDWBSTFI-LLVKDONJSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246959920 432185215 /nfs/dbraw/zinc/18/52/15/432185215.db2.gz IOJUVWBENTWGJM-MDMSPXHWSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246959920 432185220 /nfs/dbraw/zinc/18/52/20/432185220.db2.gz IOJUVWBENTWGJM-MDMSPXHWSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246959920 432185224 /nfs/dbraw/zinc/18/52/24/432185224.db2.gz IOJUVWBENTWGJM-MDMSPXHWSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246959920 432185227 /nfs/dbraw/zinc/18/52/27/432185227.db2.gz IOJUVWBENTWGJM-MDMSPXHWSA-N 3 2 309.542 3.061 20 0 DGADLP Clc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246998029 432190077 /nfs/dbraw/zinc/19/00/77/432190077.db2.gz WSKXOXPENZVMHD-SMDDNHRTSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246998029 432190081 /nfs/dbraw/zinc/19/00/81/432190081.db2.gz WSKXOXPENZVMHD-SMDDNHRTSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246998029 432190085 /nfs/dbraw/zinc/19/00/85/432190085.db2.gz WSKXOXPENZVMHD-SMDDNHRTSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246998029 432190087 /nfs/dbraw/zinc/19/00/87/432190087.db2.gz WSKXOXPENZVMHD-SMDDNHRTSA-N 2 2 311.882 3.245 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000150898769 432200115 /nfs/dbraw/zinc/20/01/15/432200115.db2.gz IRMKXPBKRSSQSU-PMPSAXMXSA-N 2 2 308.491 3.290 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000130654199 196099144 /nfs/dbraw/zinc/09/91/44/196099144.db2.gz HKEUPRVKYQLHNX-AWEZNQCLSA-N 2 2 312.442 3.309 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000269850541 432214738 /nfs/dbraw/zinc/21/47/38/432214738.db2.gz XOGVURSUXVZFCL-JSGCOSHPSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000269850541 432214743 /nfs/dbraw/zinc/21/47/43/432214743.db2.gz XOGVURSUXVZFCL-JSGCOSHPSA-N 2 2 320.868 3.047 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000182761458 432225822 /nfs/dbraw/zinc/22/58/22/432225822.db2.gz NTYGRDZVNKSQGB-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Br ZINC000131705997 196192586 /nfs/dbraw/zinc/19/25/86/196192586.db2.gz YQHHJEYHDPDHQG-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Br ZINC000131705997 196192588 /nfs/dbraw/zinc/19/25/88/196192588.db2.gz YQHHJEYHDPDHQG-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131859738 196204664 /nfs/dbraw/zinc/20/46/64/196204664.db2.gz PGMIAASGAUCMSL-GOSISDBHSA-N 2 2 321.380 3.390 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131859738 196204665 /nfs/dbraw/zinc/20/46/65/196204665.db2.gz PGMIAASGAUCMSL-GOSISDBHSA-N 2 2 321.380 3.390 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000132140846 196229397 /nfs/dbraw/zinc/22/93/97/196229397.db2.gz QHRVLHWKKDROSJ-HNNXBMFYSA-N 3 2 314.477 3.419 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](CC)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000133805327 196337047 /nfs/dbraw/zinc/33/70/47/196337047.db2.gz RXAHSXZTJLZPAC-MOPGFXCFSA-N 2 2 314.477 3.326 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415073580 287289392 /nfs/dbraw/zinc/28/93/92/287289392.db2.gz ZNMPSOGMEOCBJM-LZQZEXGQSA-N 3 2 307.526 3.137 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885783 287355643 /nfs/dbraw/zinc/35/56/43/287355643.db2.gz VJDHCYUBBYXENI-FUHIMQAGSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885783 287355645 /nfs/dbraw/zinc/35/56/45/287355645.db2.gz VJDHCYUBBYXENI-FUHIMQAGSA-N 3 2 315.505 3.006 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366734764 292982721 /nfs/dbraw/zinc/98/27/21/292982721.db2.gz LFMHGYLAXJUFCT-QWHCGFSZSA-N 2 2 305.447 3.490 20 0 DGADLP Cc1cc(C)cc(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000299558504 229208729 /nfs/dbraw/zinc/20/87/29/229208729.db2.gz MHOGWCJTEWPQCO-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cc(C)cc(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000299558504 229208733 /nfs/dbraw/zinc/20/87/33/229208733.db2.gz MHOGWCJTEWPQCO-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H](C[NH+]1CCCCCC1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302480756 230262888 /nfs/dbraw/zinc/26/28/88/230262888.db2.gz YBPCVCHOJZWQIO-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)n2C ZINC000187585363 263677554 /nfs/dbraw/zinc/67/75/54/263677554.db2.gz CHGVHLJAEPQOPF-UHFFFAOYSA-N 2 2 314.477 3.234 20 0 DGADLP Clc1ccc2[nH+]c(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000316017300 263894366 /nfs/dbraw/zinc/89/43/66/263894366.db2.gz GEZSWZFBLUOTNV-HOTGVXAUSA-N 2 2 318.852 3.094 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@@H+]1C ZINC000346344861 264015035 /nfs/dbraw/zinc/01/50/35/264015035.db2.gz WRTGVQCRQCPUDM-QCNKBUPASA-N 2 2 302.462 3.491 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@H+]1C ZINC000346344861 264015036 /nfs/dbraw/zinc/01/50/36/264015036.db2.gz WRTGVQCRQCPUDM-QCNKBUPASA-N 2 2 302.462 3.491 20 0 DGADLP c1ccc(SCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346472034 264037599 /nfs/dbraw/zinc/03/75/99/264037599.db2.gz AFVASUODXRSKLQ-MRXNPFEDSA-N 2 2 300.427 3.327 20 0 DGADLP c1ccc(SCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346472034 264037601 /nfs/dbraw/zinc/03/76/01/264037601.db2.gz AFVASUODXRSKLQ-MRXNPFEDSA-N 2 2 300.427 3.327 20 0 DGADLP C[C@@H](CCC1CC1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000346596610 264061921 /nfs/dbraw/zinc/06/19/21/264061921.db2.gz OOFKKLHIKLBBNB-WMLDXEAASA-N 2 2 302.466 3.213 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cccs3)CC2)nc(C2CC2)[nH+]1 ZINC000346627164 264068704 /nfs/dbraw/zinc/06/87/04/264068704.db2.gz ATXJANZMTARWCZ-UHFFFAOYSA-N 2 2 314.458 3.046 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346656582 264074395 /nfs/dbraw/zinc/07/43/95/264074395.db2.gz GMBMBMDQNIWAHJ-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346656582 264074397 /nfs/dbraw/zinc/07/43/97/264074397.db2.gz GMBMBMDQNIWAHJ-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCC(C)C ZINC000346663839 264075842 /nfs/dbraw/zinc/07/58/42/264075842.db2.gz XDIXIGBBCVCUHY-UHFFFAOYSA-N 2 2 306.450 3.043 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC000346671891 264077962 /nfs/dbraw/zinc/07/79/62/264077962.db2.gz WBHSQBXJYXUGFW-UHFFFAOYSA-N 2 2 306.356 3.237 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC000346671891 264077964 /nfs/dbraw/zinc/07/79/64/264077964.db2.gz WBHSQBXJYXUGFW-UHFFFAOYSA-N 2 2 306.356 3.237 20 0 DGADLP C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)CC(C)(C)C[NH3+] ZINC000346693392 264081405 /nfs/dbraw/zinc/08/14/05/264081405.db2.gz MVKABBIOHNFVFW-UHFFFAOYSA-N 2 2 307.438 3.366 20 0 DGADLP C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)CC(C)(C)C[NH3+] ZINC000346693392 264081406 /nfs/dbraw/zinc/08/14/06/264081406.db2.gz MVKABBIOHNFVFW-UHFFFAOYSA-N 2 2 307.438 3.366 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697137 264081527 /nfs/dbraw/zinc/08/15/27/264081527.db2.gz AJQIFRUJWDLVJH-SRCQZFHVSA-N 2 2 308.853 3.242 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000346697137 264081529 /nfs/dbraw/zinc/08/15/29/264081529.db2.gz AJQIFRUJWDLVJH-SRCQZFHVSA-N 2 2 308.853 3.242 20 0 DGADLP c1ccc(C2([NH2+]C3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC000346729656 264086552 /nfs/dbraw/zinc/08/65/52/264086552.db2.gz DLAYHRWZLXXRCB-UHFFFAOYSA-N 2 2 307.441 3.325 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347014867 264140300 /nfs/dbraw/zinc/14/03/00/264140300.db2.gz AFTYTIMYTXKOTH-CABCVRRESA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347014867 264140302 /nfs/dbraw/zinc/14/03/02/264140302.db2.gz AFTYTIMYTXKOTH-CABCVRRESA-N 2 2 300.450 3.006 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCC(C)C ZINC000347020796 264142293 /nfs/dbraw/zinc/14/22/93/264142293.db2.gz MWYOTPQRWALCAQ-INIZCTEOSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCC(C)C ZINC000347020796 264142294 /nfs/dbraw/zinc/14/22/94/264142294.db2.gz MWYOTPQRWALCAQ-INIZCTEOSA-N 2 2 306.450 3.043 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C)C1 ZINC000347106410 264157222 /nfs/dbraw/zinc/15/72/22/264157222.db2.gz LSYVOKJQJSEELJ-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C)C1 ZINC000347106410 264157224 /nfs/dbraw/zinc/15/72/24/264157224.db2.gz LSYVOKJQJSEELJ-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC000347109224 264158207 /nfs/dbraw/zinc/15/82/07/264158207.db2.gz MTWRTHJNJKITTD-CQSZACIVSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC000347109224 264158208 /nfs/dbraw/zinc/15/82/08/264158208.db2.gz MTWRTHJNJKITTD-CQSZACIVSA-N 2 2 309.251 3.084 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1OCC ZINC000347113967 264159055 /nfs/dbraw/zinc/15/90/55/264159055.db2.gz SWKWDRHHODQFHV-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1OCC ZINC000347113967 264159057 /nfs/dbraw/zinc/15/90/57/264159057.db2.gz SWKWDRHHODQFHV-INIZCTEOSA-N 2 2 306.450 3.187 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@@H]1C[NH3+] ZINC000347123306 264160714 /nfs/dbraw/zinc/16/07/14/264160714.db2.gz XBJNRWPBIALJDR-SMDDNHRTSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@@H]1C[NH3+] ZINC000347123306 264160717 /nfs/dbraw/zinc/16/07/17/264160717.db2.gz XBJNRWPBIALJDR-SMDDNHRTSA-N 2 2 307.488 3.431 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000347141387 264163857 /nfs/dbraw/zinc/16/38/57/264163857.db2.gz WHFUQOADJFIPQV-MRXNPFEDSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000347141387 264163859 /nfs/dbraw/zinc/16/38/59/264163859.db2.gz WHFUQOADJFIPQV-MRXNPFEDSA-N 2 2 303.837 3.462 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCOC1CCC1 ZINC000347224556 264178952 /nfs/dbraw/zinc/17/89/52/264178952.db2.gz LKMHDOJODREMFN-LJQANCHMSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCOC1CCC1 ZINC000347224556 264178953 /nfs/dbraw/zinc/17/89/53/264178953.db2.gz LKMHDOJODREMFN-LJQANCHMSA-N 2 2 304.478 3.302 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347481252 264227803 /nfs/dbraw/zinc/22/78/03/264227803.db2.gz UMMNLJXRVODHAF-ZWKOTPCHSA-N 2 2 313.445 3.451 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347481252 264227804 /nfs/dbraw/zinc/22/78/04/264227804.db2.gz UMMNLJXRVODHAF-ZWKOTPCHSA-N 2 2 313.445 3.451 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000347666976 264263180 /nfs/dbraw/zinc/26/31/80/264263180.db2.gz GUSHSISWZKOYOO-MRXNPFEDSA-N 2 2 315.486 3.412 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000347666976 264263182 /nfs/dbraw/zinc/26/31/82/264263182.db2.gz GUSHSISWZKOYOO-MRXNPFEDSA-N 2 2 315.486 3.412 20 0 DGADLP CC1(C)Cc2cccc(C[NH2+]CCCNc3cccc[nH+]3)c2O1 ZINC000347781114 264284609 /nfs/dbraw/zinc/28/46/09/264284609.db2.gz QUTDCYLHUFYBRF-UHFFFAOYSA-N 2 2 311.429 3.387 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000347787493 264285850 /nfs/dbraw/zinc/28/58/50/264285850.db2.gz SKJVJNVKAZCGHK-UHFFFAOYSA-N 2 2 308.429 3.341 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1nc2ccccc2n1C ZINC000347787493 264285853 /nfs/dbraw/zinc/28/58/53/264285853.db2.gz SKJVJNVKAZCGHK-UHFFFAOYSA-N 2 2 308.429 3.341 20 0 DGADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1OC ZINC000347851698 264294967 /nfs/dbraw/zinc/29/49/67/264294967.db2.gz POOHXNIYNATPTI-UHFFFAOYSA-N 2 2 315.417 3.115 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCCNc3ccccc32)[nH+]c2n1CCCC2 ZINC000347914672 264304953 /nfs/dbraw/zinc/30/49/53/264304953.db2.gz HXXWMXHKZKFFFL-GOSISDBHSA-N 2 2 310.445 3.299 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347933588 264309199 /nfs/dbraw/zinc/30/91/99/264309199.db2.gz DZKNCFIENUGJBK-IAGOWNOFSA-N 3 2 303.494 3.280 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000347944084 264311186 /nfs/dbraw/zinc/31/11/86/264311186.db2.gz PNINSRUWNKNCEM-UHFFFAOYSA-N 3 2 311.473 3.434 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000347944084 264311187 /nfs/dbraw/zinc/31/11/87/264311187.db2.gz PNINSRUWNKNCEM-UHFFFAOYSA-N 3 2 311.473 3.434 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000347998384 264321261 /nfs/dbraw/zinc/32/12/61/264321261.db2.gz IOCXVOKPXPSAFU-SJLPKXTDSA-N 2 2 304.503 3.481 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000347998384 264321262 /nfs/dbraw/zinc/32/12/62/264321262.db2.gz IOCXVOKPXPSAFU-SJLPKXTDSA-N 2 2 304.503 3.481 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(F)cn1 ZINC000348121961 264346706 /nfs/dbraw/zinc/34/67/06/264346706.db2.gz KDEAWGXUHYPAAU-DOMZBBRYSA-N 2 2 311.445 3.246 20 0 DGADLP Cc1ccncc1CCC[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348185302 264359549 /nfs/dbraw/zinc/35/95/49/264359549.db2.gz JUBVBERNXPINBJ-SFHVURJKSA-N 2 2 324.472 3.345 20 0 DGADLP Cc1ccncc1CCC[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348185302 264359550 /nfs/dbraw/zinc/35/95/50/264359550.db2.gz JUBVBERNXPINBJ-SFHVURJKSA-N 2 2 324.472 3.345 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000348213314 264366171 /nfs/dbraw/zinc/36/61/71/264366171.db2.gz IOSWQFGYFFRTGV-KBAYOESNSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000348213314 264366173 /nfs/dbraw/zinc/36/61/73/264366173.db2.gz IOSWQFGYFFRTGV-KBAYOESNSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348227691 264369836 /nfs/dbraw/zinc/36/98/36/264369836.db2.gz FAVZTJQQTDZRPF-HNAYVOBHSA-N 2 2 311.429 3.180 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348227691 264369837 /nfs/dbraw/zinc/36/98/37/264369837.db2.gz FAVZTJQQTDZRPF-HNAYVOBHSA-N 2 2 311.429 3.180 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CC3CCC(C)(C)CC3)CC2)CCO1 ZINC000352344567 265009212 /nfs/dbraw/zinc/00/92/12/265009212.db2.gz FZZQQGIAQYCFKZ-MRXNPFEDSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](CC3CCC(C)(C)CC3)CC2)CCO1 ZINC000352344567 265009216 /nfs/dbraw/zinc/00/92/16/265009216.db2.gz FZZQQGIAQYCFKZ-MRXNPFEDSA-N 2 2 308.510 3.388 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCc2ccncc2)CC1 ZINC000352358409 265014523 /nfs/dbraw/zinc/01/45/23/265014523.db2.gz UPYOOJXYWVFPOS-UHFFFAOYSA-N 2 2 311.429 3.261 20 0 DGADLP Cc1ncsc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352364734 265018309 /nfs/dbraw/zinc/01/83/09/265018309.db2.gz IBXVQQLFYZNFDC-UHFFFAOYSA-N 2 2 303.431 3.198 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CCC[C@@H]3C[NH+]3CCCCC3)n21 ZINC000352384160 265025845 /nfs/dbraw/zinc/02/58/45/265025845.db2.gz RUGIMLADVNNDAY-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000352433609 265047470 /nfs/dbraw/zinc/04/74/70/265047470.db2.gz WTLJJGGOMBJOPE-QGZVFWFLSA-N 2 2 314.473 3.417 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000352433609 265047472 /nfs/dbraw/zinc/04/74/72/265047472.db2.gz WTLJJGGOMBJOPE-QGZVFWFLSA-N 2 2 314.473 3.417 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000352433609 265047476 /nfs/dbraw/zinc/04/74/76/265047476.db2.gz WTLJJGGOMBJOPE-QGZVFWFLSA-N 2 2 314.473 3.417 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000352433609 265047479 /nfs/dbraw/zinc/04/74/79/265047479.db2.gz WTLJJGGOMBJOPE-QGZVFWFLSA-N 2 2 314.473 3.417 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000352433608 265047789 /nfs/dbraw/zinc/04/77/89/265047789.db2.gz WTLJJGGOMBJOPE-KRWDZBQOSA-N 2 2 314.473 3.417 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000352433608 265047792 /nfs/dbraw/zinc/04/77/92/265047792.db2.gz WTLJJGGOMBJOPE-KRWDZBQOSA-N 2 2 314.473 3.417 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000352433608 265047794 /nfs/dbraw/zinc/04/77/94/265047794.db2.gz WTLJJGGOMBJOPE-KRWDZBQOSA-N 2 2 314.473 3.417 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000352433608 265047799 /nfs/dbraw/zinc/04/77/99/265047799.db2.gz WTLJJGGOMBJOPE-KRWDZBQOSA-N 2 2 314.473 3.417 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cs2)o1 ZINC000352487726 265066832 /nfs/dbraw/zinc/06/68/32/265066832.db2.gz IHCCDRXXWJCXOQ-CQSZACIVSA-N 2 2 305.447 3.415 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cs2)o1 ZINC000352487726 265066833 /nfs/dbraw/zinc/06/68/33/265066833.db2.gz IHCCDRXXWJCXOQ-CQSZACIVSA-N 2 2 305.447 3.415 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000352534305 265081951 /nfs/dbraw/zinc/08/19/51/265081951.db2.gz FHJHRBSGJSSKJE-LJQANCHMSA-N 2 2 316.493 3.043 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000352534305 265081953 /nfs/dbraw/zinc/08/19/53/265081953.db2.gz FHJHRBSGJSSKJE-LJQANCHMSA-N 2 2 316.493 3.043 20 0 DGADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352735435 265145171 /nfs/dbraw/zinc/14/51/71/265145171.db2.gz BSERSZNVZCYDLO-LLVKDONJSA-N 2 2 309.401 3.271 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352770430 265160213 /nfs/dbraw/zinc/16/02/13/265160213.db2.gz KJLSWYLSRUBBFV-IYBDPMFKSA-N 2 2 320.477 3.161 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352770430 265160217 /nfs/dbraw/zinc/16/02/17/265160217.db2.gz KJLSWYLSRUBBFV-IYBDPMFKSA-N 2 2 320.477 3.161 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810300 265177462 /nfs/dbraw/zinc/17/74/62/265177462.db2.gz MQUGSHMCEBSOGP-MGPUTAFESA-N 2 2 307.441 3.321 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000352810300 265177464 /nfs/dbraw/zinc/17/74/64/265177464.db2.gz MQUGSHMCEBSOGP-MGPUTAFESA-N 2 2 307.441 3.321 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000352838324 265191902 /nfs/dbraw/zinc/19/19/02/265191902.db2.gz MGYHOFKAJBSSIW-GWCFXTLKSA-N 2 2 314.351 3.126 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000352838324 265191904 /nfs/dbraw/zinc/19/19/04/265191904.db2.gz MGYHOFKAJBSSIW-GWCFXTLKSA-N 2 2 314.351 3.126 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[NH+]1CCCC1 ZINC000352841712 265193868 /nfs/dbraw/zinc/19/38/68/265193868.db2.gz SEQILSUCOUBLJZ-OWBHPGMISA-N 2 2 310.388 3.377 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1OC(C)C ZINC000352933705 265237595 /nfs/dbraw/zinc/23/75/95/265237595.db2.gz SWCDYZADXGXEBV-DOTOQJQBSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1OC(C)C ZINC000352933705 265237598 /nfs/dbraw/zinc/23/75/98/265237598.db2.gz SWCDYZADXGXEBV-DOTOQJQBSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1OC(C)C ZINC000352933705 265237601 /nfs/dbraw/zinc/23/76/01/265237601.db2.gz SWCDYZADXGXEBV-DOTOQJQBSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1OC(C)C ZINC000352933705 265237603 /nfs/dbraw/zinc/23/76/03/265237603.db2.gz SWCDYZADXGXEBV-DOTOQJQBSA-N 2 2 318.461 3.008 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001998 265262326 /nfs/dbraw/zinc/26/23/26/265262326.db2.gz RTILNTPWGMFQBM-WMZOPIPTSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001998 265262330 /nfs/dbraw/zinc/26/23/30/265262330.db2.gz RTILNTPWGMFQBM-WMZOPIPTSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001998 265262334 /nfs/dbraw/zinc/26/23/34/265262334.db2.gz RTILNTPWGMFQBM-WMZOPIPTSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001998 265262338 /nfs/dbraw/zinc/26/23/38/265262338.db2.gz RTILNTPWGMFQBM-WMZOPIPTSA-N 2 2 300.446 3.001 20 0 DGADLP Cc1sc(C[NH2+]Cc2c[nH+]ccc2N(C)C)nc1C(C)C ZINC000353090209 265293324 /nfs/dbraw/zinc/29/33/24/265293324.db2.gz GGNRSKZHXPABLO-UHFFFAOYSA-N 2 2 304.463 3.326 20 0 DGADLP Cc1cc(NCC2([NH+]3CCCCC3)CCCCC2)nc(C)[nH+]1 ZINC000353163142 265323507 /nfs/dbraw/zinc/32/35/07/265323507.db2.gz MDATVADVAJTOMS-UHFFFAOYSA-N 2 2 302.466 3.116 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000353187870 265335430 /nfs/dbraw/zinc/33/54/30/265335430.db2.gz SQSHVPNRDKBZGI-UHFFFAOYSA-N 2 2 314.433 3.010 20 0 DGADLP c1cc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)nc2[nH]1 ZINC000353230771 265353986 /nfs/dbraw/zinc/35/39/86/265353986.db2.gz SRVPYPGQZXFXAH-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C)c3C)CC2)c1 ZINC000353267409 265368640 /nfs/dbraw/zinc/36/86/40/265368640.db2.gz NEJCTHDFUFVFNK-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccnc2)cc1 ZINC000353340232 265395024 /nfs/dbraw/zinc/39/50/24/265395024.db2.gz ZSLKYRRSXYLPDS-HXUWFJFHSA-N 2 2 307.441 3.387 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C12CCC2 ZINC000172685867 432229325 /nfs/dbraw/zinc/22/93/25/432229325.db2.gz WQVJIYYWIRLPOB-ZWKOTPCHSA-N 2 2 313.445 3.282 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448258 432230457 /nfs/dbraw/zinc/23/04/57/432230457.db2.gz YRNJGLNNCHLKJD-HZPDHXFCSA-N 2 2 308.491 3.213 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448258 432230463 /nfs/dbraw/zinc/23/04/63/432230463.db2.gz YRNJGLNNCHLKJD-HZPDHXFCSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448258 432230465 /nfs/dbraw/zinc/23/04/65/432230465.db2.gz YRNJGLNNCHLKJD-HZPDHXFCSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448258 432230472 /nfs/dbraw/zinc/23/04/72/432230472.db2.gz YRNJGLNNCHLKJD-HZPDHXFCSA-N 2 2 308.491 3.213 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnn(Cc4ccccc4)c3)C2)[nH]1 ZINC000270178266 432230591 /nfs/dbraw/zinc/23/05/91/432230591.db2.gz ACHHZPKQUWJNFK-SFHVURJKSA-N 2 2 321.428 3.034 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnn(Cc4ccccc4)c3)C2)[nH]1 ZINC000270178266 432230596 /nfs/dbraw/zinc/23/05/96/432230596.db2.gz ACHHZPKQUWJNFK-SFHVURJKSA-N 2 2 321.428 3.034 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](c2cccs2)N(C)C)c[nH+]1 ZINC000354542788 265804761 /nfs/dbraw/zinc/80/47/61/265804761.db2.gz DVJJLIWVCHMVHZ-MRXNPFEDSA-N 2 2 303.475 3.277 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000355338655 266043491 /nfs/dbraw/zinc/04/34/91/266043491.db2.gz YWHNFLLKMZQZTI-QXAKKESOSA-N 2 2 316.489 3.239 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000355338655 266043493 /nfs/dbraw/zinc/04/34/93/266043493.db2.gz YWHNFLLKMZQZTI-QXAKKESOSA-N 2 2 316.489 3.239 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]CCc2ccc(F)cc2Cl)CCSC1 ZINC000356192850 266313722 /nfs/dbraw/zinc/31/37/22/266313722.db2.gz LZZRPKIBHNYMGK-OAHLLOKOSA-N 2 2 316.873 3.049 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)CNc1ccc(CO)c[nH+]1 ZINC000356299366 266345730 /nfs/dbraw/zinc/34/57/30/266345730.db2.gz HUNQSLBSLJGWTB-UHFFFAOYSA-N 2 2 313.445 3.144 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccc(CO)c[nH+]1 ZINC000356299366 266345731 /nfs/dbraw/zinc/34/57/31/266345731.db2.gz HUNQSLBSLJGWTB-UHFFFAOYSA-N 2 2 313.445 3.144 20 0 DGADLP CC(C)[NH+](CCN(C)Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000356360189 266366514 /nfs/dbraw/zinc/36/65/14/266366514.db2.gz HHLMONLTHYMPEQ-UHFFFAOYSA-N 2 2 314.477 3.423 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000270364692 432236576 /nfs/dbraw/zinc/23/65/76/432236576.db2.gz SHKXHVIQVHBZTH-HNNXBMFYSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000270364692 432236583 /nfs/dbraw/zinc/23/65/83/432236583.db2.gz SHKXHVIQVHBZTH-HNNXBMFYSA-N 2 2 310.401 3.306 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000270481409 432249721 /nfs/dbraw/zinc/24/97/21/432249721.db2.gz KQVINVJIYHPFJD-IRXDYDNUSA-N 2 2 312.457 3.350 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(CO)c1)[N@@H+](C)Cc1ccccc1 ZINC000270481409 432249725 /nfs/dbraw/zinc/24/97/25/432249725.db2.gz KQVINVJIYHPFJD-IRXDYDNUSA-N 2 2 312.457 3.350 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000359908190 271016142 /nfs/dbraw/zinc/01/61/42/271016142.db2.gz XNXLJLFBPSZDNA-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000359908190 271016145 /nfs/dbraw/zinc/01/61/45/271016145.db2.gz XNXLJLFBPSZDNA-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000359908190 271016150 /nfs/dbraw/zinc/01/61/50/271016150.db2.gz XNXLJLFBPSZDNA-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000359908190 271016152 /nfs/dbraw/zinc/01/61/52/271016152.db2.gz XNXLJLFBPSZDNA-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479340 271027002 /nfs/dbraw/zinc/02/70/02/271027002.db2.gz KZZMYKABIVXCCK-SWLSCSKDSA-N 2 2 324.490 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479340 271027004 /nfs/dbraw/zinc/02/70/04/271027004.db2.gz KZZMYKABIVXCCK-SWLSCSKDSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479340 271027008 /nfs/dbraw/zinc/02/70/08/271027008.db2.gz KZZMYKABIVXCCK-SWLSCSKDSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479340 271027011 /nfs/dbraw/zinc/02/70/11/271027011.db2.gz KZZMYKABIVXCCK-SWLSCSKDSA-N 2 2 324.490 3.148 20 0 DGADLP CCOC1CC(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)C1 ZINC000367554599 271042824 /nfs/dbraw/zinc/04/28/24/271042824.db2.gz VRPIGWNEPCNOHS-AQFXKWCLSA-N 2 2 303.450 3.081 20 0 DGADLP CCOC1CC(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)C1 ZINC000367554599 271042827 /nfs/dbraw/zinc/04/28/27/271042827.db2.gz VRPIGWNEPCNOHS-AQFXKWCLSA-N 2 2 303.450 3.081 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614100 271050920 /nfs/dbraw/zinc/05/09/20/271050920.db2.gz GZPQXYRSPNFKIF-YOEHRIQHSA-N 2 2 302.466 3.105 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614100 271050924 /nfs/dbraw/zinc/05/09/24/271050924.db2.gz GZPQXYRSPNFKIF-YOEHRIQHSA-N 2 2 302.466 3.105 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000369113512 271241975 /nfs/dbraw/zinc/24/19/75/271241975.db2.gz SOSJREKKRQWNOK-HNNXBMFYSA-N 2 2 308.441 3.193 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369540312 271289621 /nfs/dbraw/zinc/28/96/21/271289621.db2.gz NEQLKFACJUPNSM-HOTGVXAUSA-N 2 2 312.461 3.334 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369540312 271289626 /nfs/dbraw/zinc/28/96/26/271289626.db2.gz NEQLKFACJUPNSM-HOTGVXAUSA-N 2 2 312.461 3.334 20 0 DGADLP CC(C)CCn1cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000369542263 271290250 /nfs/dbraw/zinc/29/02/50/271290250.db2.gz ZNDFOLSDOFFKQB-UHFFFAOYSA-N 2 2 323.444 3.405 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000369682237 271309932 /nfs/dbraw/zinc/30/99/32/271309932.db2.gz CKZBNKOZFNPGSB-LBPRGKRZSA-N 2 2 309.335 3.217 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000369682237 271309937 /nfs/dbraw/zinc/30/99/37/271309937.db2.gz CKZBNKOZFNPGSB-LBPRGKRZSA-N 2 2 309.335 3.217 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000370004505 271333461 /nfs/dbraw/zinc/33/34/61/271333461.db2.gz DGKSMCYTYGRRPR-JKSUJKDBSA-N 2 2 305.466 3.010 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000370388283 271356587 /nfs/dbraw/zinc/35/65/87/271356587.db2.gz SOLZREMYRZLFCI-LPHOPBHVSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000370388283 271356591 /nfs/dbraw/zinc/35/65/91/271356591.db2.gz SOLZREMYRZLFCI-LPHOPBHVSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370711275 271385526 /nfs/dbraw/zinc/38/55/26/271385526.db2.gz PDIYENFAWOQRFX-MJGOQNOKSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370711275 271385530 /nfs/dbraw/zinc/38/55/30/271385530.db2.gz PDIYENFAWOQRFX-MJGOQNOKSA-N 2 2 321.553 3.161 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000153745313 274022754 /nfs/dbraw/zinc/02/27/54/274022754.db2.gz CXIYHAXPGNONPI-HNNXBMFYSA-N 2 2 304.434 3.360 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000153745313 274022756 /nfs/dbraw/zinc/02/27/56/274022756.db2.gz CXIYHAXPGNONPI-HNNXBMFYSA-N 2 2 304.434 3.360 20 0 DGADLP COCC[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000157865917 274025823 /nfs/dbraw/zinc/02/58/23/274025823.db2.gz BDKIZIKWNCOBFB-UHFFFAOYSA-N 2 2 322.452 3.457 20 0 DGADLP CO[C@@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)C1CC1 ZINC000425484686 274058711 /nfs/dbraw/zinc/05/87/11/274058711.db2.gz SSIYCQJJOZOZIN-IBGZPJMESA-N 2 2 313.445 3.407 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C3CC3)cs2)cc1 ZINC000430583336 274104278 /nfs/dbraw/zinc/10/42/78/274104278.db2.gz XVWSLKYJKMWTDQ-KRWDZBQOSA-N 2 2 317.458 3.036 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132580093 274251494 /nfs/dbraw/zinc/25/14/94/274251494.db2.gz MFNQEJAGXWVVNH-CJNGLKHVSA-N 2 2 319.499 3.372 20 0 DGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000193124608 274550773 /nfs/dbraw/zinc/55/07/73/274550773.db2.gz NQPCSSGCVFQWEG-YJBOKZPZSA-N 2 2 301.478 3.460 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788762 275051280 /nfs/dbraw/zinc/05/12/80/275051280.db2.gz NHRWXBDVELDLNG-NHYWBVRUSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788762 275051281 /nfs/dbraw/zinc/05/12/81/275051281.db2.gz NHRWXBDVELDLNG-NHYWBVRUSA-N 2 2 323.799 3.115 20 0 DGADLP c1ccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301079843 275068562 /nfs/dbraw/zinc/06/85/62/275068562.db2.gz KCJHYRZUKMYAME-SFHVURJKSA-N 2 2 322.412 3.048 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000343785823 275073170 /nfs/dbraw/zinc/07/31/70/275073170.db2.gz DXHARUJVICEVGE-GUYCJALGSA-N 2 2 306.413 3.346 20 0 DGADLP c1[nH+]c(C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)n2c1CCCC2 ZINC000278922122 275075599 /nfs/dbraw/zinc/07/55/99/275075599.db2.gz UEOXQTXGDZGXDI-UHFFFAOYSA-N 2 2 321.428 3.480 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000189509759 275658653 /nfs/dbraw/zinc/65/86/53/275658653.db2.gz UXWOGOHKIVNTPY-CTWPCTMYSA-N 2 2 302.462 3.369 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)[C@@H](C)[C@H]1OC ZINC000344102434 275962759 /nfs/dbraw/zinc/96/27/59/275962759.db2.gz NMVHWUWWOINNOF-YYIAUSFCSA-N 2 2 319.493 3.498 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420228565 276065239 /nfs/dbraw/zinc/06/52/39/276065239.db2.gz LSMGTQBFTGWQRZ-KKUMJFAQSA-N 2 2 316.493 3.461 20 0 DGADLP CC[N@H+](C)[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421574808 276076708 /nfs/dbraw/zinc/07/67/08/276076708.db2.gz HQECREFZLWRVNZ-GOSISDBHSA-N 2 2 311.429 3.008 20 0 DGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421574808 276076709 /nfs/dbraw/zinc/07/67/09/276076709.db2.gz HQECREFZLWRVNZ-GOSISDBHSA-N 2 2 311.429 3.008 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(CC)CC ZINC000344082490 276473834 /nfs/dbraw/zinc/47/38/34/276473834.db2.gz IHTBBKQBXCOVJJ-IAGOWNOFSA-N 2 2 319.493 3.335 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423495013 276680423 /nfs/dbraw/zinc/68/04/23/276680423.db2.gz BGTSHDJWMAJNQJ-PNYFIKQUSA-N 2 2 316.489 3.434 20 0 DGADLP OCCCCNc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c[nH+]1 ZINC000629741921 429962336 /nfs/dbraw/zinc/96/23/36/429962336.db2.gz HVTYNJZPKKRVFJ-UHFFFAOYSA-N 2 2 322.412 3.178 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000154652762 277064599 /nfs/dbraw/zinc/06/45/99/277064599.db2.gz PEQYEGQJNYUEPK-IUODEOHRSA-N 2 2 314.351 3.256 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000154652762 277064600 /nfs/dbraw/zinc/06/46/00/277064600.db2.gz PEQYEGQJNYUEPK-IUODEOHRSA-N 2 2 314.351 3.256 20 0 DGADLP CC(C)C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000315802978 277444986 /nfs/dbraw/zinc/44/49/86/277444986.db2.gz PZKDTENVOWMFOK-QGZVFWFLSA-N 2 2 300.450 3.363 20 0 DGADLP COc1cccc2c(N3CC[C@@H]([NH+]4CC=CC4)C3)cc(C)[nH+]c12 ZINC000127545569 278024285 /nfs/dbraw/zinc/02/42/85/278024285.db2.gz XMXBWIVICGFSID-OAHLLOKOSA-N 2 2 309.413 3.002 20 0 DGADLP COc1cccc2c(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)cc[nH+]c12 ZINC000343625755 278025078 /nfs/dbraw/zinc/02/50/78/278025078.db2.gz LFESNPHEIUEMGY-CABCVRRESA-N 2 2 311.429 3.306 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684120 278274062 /nfs/dbraw/zinc/27/40/62/278274062.db2.gz OHYQPXDALXATNY-SMDDNHRTSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684120 278274063 /nfs/dbraw/zinc/27/40/63/278274063.db2.gz OHYQPXDALXATNY-SMDDNHRTSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163453790 278368160 /nfs/dbraw/zinc/36/81/60/278368160.db2.gz AUJZHAFBXCCIBY-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163453790 278368162 /nfs/dbraw/zinc/36/81/62/278368162.db2.gz AUJZHAFBXCCIBY-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1c[nH+]ccc1N ZINC000423438205 278380583 /nfs/dbraw/zinc/38/05/83/278380583.db2.gz MTPVWBQEHQTPMO-BZNIZROVSA-N 2 2 312.417 3.029 20 0 DGADLP CC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1nccn1C ZINC000182218910 288040941 /nfs/dbraw/zinc/04/09/41/288040941.db2.gz WXMAFKPJNHQSCP-HNNXBMFYSA-N 2 2 311.433 3.209 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000091726959 288042980 /nfs/dbraw/zinc/04/29/80/288042980.db2.gz VJXFLVPZVHZJQJ-AEFFLSMTSA-N 2 2 320.477 3.013 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]CC2=CCCOC2)c2ccccc2)CC1 ZINC000126718028 278550350 /nfs/dbraw/zinc/55/03/50/278550350.db2.gz OSUZGNGEXKGPOX-FQEVSTJZSA-N 2 2 314.473 3.396 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000069725629 431216096 /nfs/dbraw/zinc/21/60/96/431216096.db2.gz VAVDNEPHWQVILM-MWLCHTKSSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000069725629 431216105 /nfs/dbraw/zinc/21/61/05/431216105.db2.gz VAVDNEPHWQVILM-MWLCHTKSSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccco2)C[C@@H](C)O1 ZINC000069833336 431226139 /nfs/dbraw/zinc/22/61/39/431226139.db2.gz NMOQZJCPOMYHKN-HZPDHXFCSA-N 2 2 314.429 3.179 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074514 431238825 /nfs/dbraw/zinc/23/88/25/431238825.db2.gz LGURBJQEYXJBSG-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074514 431238834 /nfs/dbraw/zinc/23/88/34/431238834.db2.gz LGURBJQEYXJBSG-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074738 431239206 /nfs/dbraw/zinc/23/92/06/431239206.db2.gz XOIFWVOGWKNNQA-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074738 431239213 /nfs/dbraw/zinc/23/92/13/431239213.db2.gz XOIFWVOGWKNNQA-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174287 431242919 /nfs/dbraw/zinc/24/29/19/431242919.db2.gz UYKAIZPNJJPYDP-RYUDHWBXSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000070174287 431242924 /nfs/dbraw/zinc/24/29/24/431242924.db2.gz UYKAIZPNJJPYDP-RYUDHWBXSA-N 2 2 307.488 3.431 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nnc(C)o2)c1 ZINC000112531580 431278727 /nfs/dbraw/zinc/27/87/27/431278727.db2.gz XELUBUNVZLWUFE-ZDUSSCGKSA-N 2 2 302.422 3.071 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000113513741 431350530 /nfs/dbraw/zinc/35/05/30/431350530.db2.gz JYCGYFKNHLUSLK-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000113513741 431350536 /nfs/dbraw/zinc/35/05/36/431350536.db2.gz JYCGYFKNHLUSLK-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000113515360 431352419 /nfs/dbraw/zinc/35/24/19/431352419.db2.gz NLBFECMFOOUSDX-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000113515360 431352427 /nfs/dbraw/zinc/35/24/27/431352427.db2.gz NLBFECMFOOUSDX-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C3CC[NH+](C)CC3)cc2[nH+]1 ZINC000073103284 431361580 /nfs/dbraw/zinc/36/15/80/431361580.db2.gz NJAIMSYMZCZSTR-UHFFFAOYSA-N 2 2 314.433 3.186 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000115547331 431459497 /nfs/dbraw/zinc/45/94/97/431459497.db2.gz OVIHXUHTTUNYQU-UHFFFAOYSA-N 2 2 318.505 3.164 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000115547331 431459502 /nfs/dbraw/zinc/45/95/02/431459502.db2.gz OVIHXUHTTUNYQU-UHFFFAOYSA-N 2 2 318.505 3.164 20 0 DGADLP CC[N@@H+](Cc1cc(C)on1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108962 431528493 /nfs/dbraw/zinc/52/84/93/431528493.db2.gz FQJUURAWROEGHM-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC[N@H+](Cc1cc(C)on1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108962 431528499 /nfs/dbraw/zinc/52/84/99/431528499.db2.gz FQJUURAWROEGHM-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccsc2S1 ZINC000427872816 280013672 /nfs/dbraw/zinc/01/36/72/280013672.db2.gz JXXHQGMITDBJEX-GVXVVHGQSA-N 2 2 305.472 3.475 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940767 280196305 /nfs/dbraw/zinc/19/63/05/280196305.db2.gz IZUMZYNEHBMWOA-BMFZPTHFSA-N 2 2 304.434 3.029 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119133853 431651843 /nfs/dbraw/zinc/65/18/43/431651843.db2.gz HOXBPIYIWNLRFO-HKUYNNGSSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119133853 431651847 /nfs/dbraw/zinc/65/18/47/431651847.db2.gz HOXBPIYIWNLRFO-HKUYNNGSSA-N 2 2 324.472 3.052 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2nc3ccc(F)cc3o2)CC1 ZINC000119079460 431642171 /nfs/dbraw/zinc/64/21/71/431642171.db2.gz YUJVXIPFBBPFSE-UHFFFAOYSA-N 2 2 305.397 3.273 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2nc3ccc(F)cc3o2)CC1 ZINC000119079460 431642181 /nfs/dbraw/zinc/64/21/81/431642181.db2.gz YUJVXIPFBBPFSE-UHFFFAOYSA-N 2 2 305.397 3.273 20 0 DGADLP Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119489581 431698174 /nfs/dbraw/zinc/69/81/74/431698174.db2.gz RPCXYMMLEHWLAK-INIZCTEOSA-N 2 2 324.428 3.128 20 0 DGADLP Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119489581 431698177 /nfs/dbraw/zinc/69/81/77/431698177.db2.gz RPCXYMMLEHWLAK-INIZCTEOSA-N 2 2 324.428 3.128 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631865 431797866 /nfs/dbraw/zinc/79/78/66/431797866.db2.gz GYNMACXXVSJWNF-SFHVURJKSA-N 2 2 324.472 3.036 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631865 431797873 /nfs/dbraw/zinc/79/78/73/431797873.db2.gz GYNMACXXVSJWNF-SFHVURJKSA-N 2 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631865 431797881 /nfs/dbraw/zinc/79/78/81/431797881.db2.gz GYNMACXXVSJWNF-SFHVURJKSA-N 2 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000081631865 431797888 /nfs/dbraw/zinc/79/78/88/431797888.db2.gz GYNMACXXVSJWNF-SFHVURJKSA-N 2 2 324.472 3.036 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081635223 431798869 /nfs/dbraw/zinc/79/88/69/431798869.db2.gz PCTYHPSYSRYENA-LJQANCHMSA-N 3 2 324.472 3.036 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081635223 431798874 /nfs/dbraw/zinc/79/88/74/431798874.db2.gz PCTYHPSYSRYENA-LJQANCHMSA-N 3 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081635223 431798878 /nfs/dbraw/zinc/79/88/78/431798878.db2.gz PCTYHPSYSRYENA-LJQANCHMSA-N 3 2 324.472 3.036 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081635223 431798880 /nfs/dbraw/zinc/79/88/80/431798880.db2.gz PCTYHPSYSRYENA-LJQANCHMSA-N 3 2 324.472 3.036 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(Br)c2)CC[C@@H]1[NH3+] ZINC000122780584 431844409 /nfs/dbraw/zinc/84/44/09/431844409.db2.gz GSECWGZSZRGULQ-MNOVXSKESA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(Br)c2)CC[C@@H]1[NH3+] ZINC000122780584 431844410 /nfs/dbraw/zinc/84/44/10/431844410.db2.gz GSECWGZSZRGULQ-MNOVXSKESA-N 2 2 303.269 3.070 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1cc[nH]c1)c1cccc(OC)c1 ZINC000086249747 431844450 /nfs/dbraw/zinc/84/44/50/431844450.db2.gz SAFAARXCWZMPOK-SFHVURJKSA-N 2 2 301.434 3.196 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000037150079 431844594 /nfs/dbraw/zinc/84/45/94/431844594.db2.gz CWVMUXJZJZBBAZ-UHFFFAOYSA-N 2 2 315.255 3.396 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000037157235 431844838 /nfs/dbraw/zinc/84/48/38/431844838.db2.gz PRHYZIZSVYQPCZ-RYUDHWBXSA-N 2 2 308.223 3.385 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000122876977 431846691 /nfs/dbraw/zinc/84/66/91/431846691.db2.gz YQBIMOLIBVNKBR-MRXNPFEDSA-N 2 2 309.417 3.159 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000122876977 431846693 /nfs/dbraw/zinc/84/66/93/431846693.db2.gz YQBIMOLIBVNKBR-MRXNPFEDSA-N 2 2 309.417 3.159 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000037644972 431849245 /nfs/dbraw/zinc/84/92/45/431849245.db2.gz DWMWXTPKWJPITQ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000037644972 431849247 /nfs/dbraw/zinc/84/92/47/431849247.db2.gz DWMWXTPKWJPITQ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000123582710 431869109 /nfs/dbraw/zinc/86/91/09/431869109.db2.gz LTCJNBCOAWQQPX-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000123582710 431869110 /nfs/dbraw/zinc/86/91/10/431869110.db2.gz LTCJNBCOAWQQPX-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cc1cc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)nc(C)[nH+]1 ZINC000043532983 431869604 /nfs/dbraw/zinc/86/96/04/431869604.db2.gz XBHFXMCYJFOFAN-HNNXBMFYSA-N 2 2 304.825 3.462 20 0 DGADLP COc1ccccc1[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000089554920 431870639 /nfs/dbraw/zinc/87/06/39/431870639.db2.gz DOLVYQGIRYEKTE-HXUWFJFHSA-N 2 2 310.441 3.468 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)c(C)c2)CC[C@@H]1[NH3+] ZINC000122357515 431830199 /nfs/dbraw/zinc/83/01/99/431830199.db2.gz SYSAXHGOWAVMCZ-HIFRSBDPSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)c(C)c2)CC[C@@H]1[NH3+] ZINC000122357515 431830201 /nfs/dbraw/zinc/83/02/01/431830201.db2.gz SYSAXHGOWAVMCZ-HIFRSBDPSA-N 2 2 311.267 3.317 20 0 DGADLP c1cn(-c2ccc(C[N@@H+](Cc3ccncc3)C3CC3)cc2)c[nH+]1 ZINC000122393807 431831037 /nfs/dbraw/zinc/83/10/37/431831037.db2.gz GASWLVLDFGAMCL-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP c1cn(-c2ccc(C[N@H+](Cc3ccncc3)C3CC3)cc2)c[nH+]1 ZINC000122393807 431831041 /nfs/dbraw/zinc/83/10/41/431831041.db2.gz GASWLVLDFGAMCL-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000092560345 431909390 /nfs/dbraw/zinc/90/93/90/431909390.db2.gz WKDWSJKJRJRICZ-UHFFFAOYSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)Cn1cc[nH+]c1 ZINC000092564308 431910059 /nfs/dbraw/zinc/91/00/59/431910059.db2.gz GICULUBGYCIWFW-FHERZECASA-N 2 2 321.465 3.009 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CSCCS2)n1-c1ccccc1 ZINC000125177754 431916701 /nfs/dbraw/zinc/91/67/01/431916701.db2.gz AKWDGNUQOICGPE-MRXNPFEDSA-N 2 2 319.499 3.119 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000125273932 431919356 /nfs/dbraw/zinc/91/93/56/431919356.db2.gz SMAOTVPDWPRKCC-GJZGRUSLSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000125273932 431919359 /nfs/dbraw/zinc/91/93/59/431919359.db2.gz SMAOTVPDWPRKCC-GJZGRUSLSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000125273932 431919360 /nfs/dbraw/zinc/91/93/60/431919360.db2.gz SMAOTVPDWPRKCC-GJZGRUSLSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000125273932 431919363 /nfs/dbraw/zinc/91/93/63/431919363.db2.gz SMAOTVPDWPRKCC-GJZGRUSLSA-N 2 2 322.449 3.242 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000044534408 431875170 /nfs/dbraw/zinc/87/51/70/431875170.db2.gz ZNIAHBVCPQTWKL-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000044534408 431875171 /nfs/dbraw/zinc/87/51/71/431875171.db2.gz ZNIAHBVCPQTWKL-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000044537021 431875457 /nfs/dbraw/zinc/87/54/57/431875457.db2.gz LSZASIPQYXYDIO-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000044537021 431875459 /nfs/dbraw/zinc/87/54/59/431875459.db2.gz LSZASIPQYXYDIO-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)nc2ccccc12 ZINC000044530873 431875620 /nfs/dbraw/zinc/87/56/20/431875620.db2.gz SQUFAMYHCRMZCD-CYBMUJFWSA-N 2 2 303.837 3.367 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])C2)nc2ccccc12 ZINC000044530873 431875622 /nfs/dbraw/zinc/87/56/22/431875622.db2.gz SQUFAMYHCRMZCD-CYBMUJFWSA-N 2 2 303.837 3.367 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000123950393 431879625 /nfs/dbraw/zinc/87/96/25/431879625.db2.gz XTAWFRUHHQXBBK-UHFFFAOYSA-N 2 2 317.452 3.142 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000124126082 431883386 /nfs/dbraw/zinc/88/33/86/431883386.db2.gz AIYWUJZTAKHRBX-UHFFFAOYSA-N 2 2 316.474 3.169 20 0 DGADLP CCc1oc2ccccc2c1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000124272362 431887764 /nfs/dbraw/zinc/88/77/64/431887764.db2.gz DOTWPKMYAZTMEV-OAHLLOKOSA-N 2 2 316.445 3.196 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1C ZINC000090721476 431894658 /nfs/dbraw/zinc/89/46/58/431894658.db2.gz UUPUBSVNZXDXGA-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@H+]1C ZINC000090721476 431894660 /nfs/dbraw/zinc/89/46/60/431894660.db2.gz UUPUBSVNZXDXGA-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000090721797 431894908 /nfs/dbraw/zinc/89/49/08/431894908.db2.gz PVXUZGSLJQRWQE-DGCLKSJQSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000090721797 431894910 /nfs/dbraw/zinc/89/49/10/431894910.db2.gz PVXUZGSLJQRWQE-DGCLKSJQSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090851549 431896686 /nfs/dbraw/zinc/89/66/86/431896686.db2.gz JTJMRCKGNPISIU-HNNXBMFYSA-N 2 2 321.428 3.184 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914259 431897291 /nfs/dbraw/zinc/89/72/91/431897291.db2.gz FQZZMCGHPOUMQU-IHPCNDPISA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914259 431897293 /nfs/dbraw/zinc/89/72/93/431897293.db2.gz FQZZMCGHPOUMQU-IHPCNDPISA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914261 431897533 /nfs/dbraw/zinc/89/75/33/431897533.db2.gz FQZZMCGHPOUMQU-SXLOBPIMSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914261 431897535 /nfs/dbraw/zinc/89/75/35/431897535.db2.gz FQZZMCGHPOUMQU-SXLOBPIMSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000090913976 431898028 /nfs/dbraw/zinc/89/80/28/431898028.db2.gz CPPROEPUAJHJNU-QMMLZNLJSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000090913976 431898030 /nfs/dbraw/zinc/89/80/30/431898030.db2.gz CPPROEPUAJHJNU-QMMLZNLJSA-N 2 2 324.468 3.281 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560824 431898222 /nfs/dbraw/zinc/89/82/22/431898222.db2.gz SFRBHWJGCRJWGQ-JQWIXIFHSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560824 431898224 /nfs/dbraw/zinc/89/82/24/431898224.db2.gz SFRBHWJGCRJWGQ-JQWIXIFHSA-N 2 2 303.233 3.184 20 0 DGADLP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000127502650 431974102 /nfs/dbraw/zinc/97/41/02/431974102.db2.gz VSXSDRFWJSUVMJ-LJQANCHMSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125552194 431929009 /nfs/dbraw/zinc/92/90/09/431929009.db2.gz URRNICFLPRLMMS-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125552194 431929011 /nfs/dbraw/zinc/92/90/11/431929011.db2.gz URRNICFLPRLMMS-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)[C@H]1CCCC[NH2+]1 ZINC000423448693 280954500 /nfs/dbraw/zinc/95/45/00/280954500.db2.gz VJSVBYPLLQGFHH-GVDBMIGSSA-N 2 2 317.477 3.381 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Br ZINC000049557694 431941496 /nfs/dbraw/zinc/94/14/96/431941496.db2.gz HKMJHUYXQJJKQI-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3ccccc32)cn1 ZINC000126339882 431947963 /nfs/dbraw/zinc/94/79/63/431947963.db2.gz IUIFAAVBSGMNSY-SFHVURJKSA-N 2 2 304.397 3.353 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051086007 431950253 /nfs/dbraw/zinc/95/02/53/431950253.db2.gz LQZIXHVUZJMTJK-IRXDYDNUSA-N 2 2 315.461 3.279 20 0 DGADLP CC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051086007 431950254 /nfs/dbraw/zinc/95/02/54/431950254.db2.gz LQZIXHVUZJMTJK-IRXDYDNUSA-N 2 2 315.461 3.279 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861478 431959852 /nfs/dbraw/zinc/95/98/52/431959852.db2.gz HAHXWWKYOWHZEH-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861478 431959853 /nfs/dbraw/zinc/95/98/53/431959853.db2.gz HAHXWWKYOWHZEH-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000127900299 431983904 /nfs/dbraw/zinc/98/39/04/431983904.db2.gz NIBHWCASXMHXCU-CYBMUJFWSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000127900299 431983906 /nfs/dbraw/zinc/98/39/06/431983906.db2.gz NIBHWCASXMHXCU-CYBMUJFWSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)Nc1[nH+]cnc2[nH]ccc21)[NH+](C)C ZINC000343755568 281361129 /nfs/dbraw/zinc/36/11/29/281361129.db2.gz DSWAGQZCZMSNPT-CZUORRHYSA-N 2 2 309.417 3.370 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247951761 281380147 /nfs/dbraw/zinc/38/01/47/281380147.db2.gz FCYNLIZPXCNIHJ-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000247951761 281380149 /nfs/dbraw/zinc/38/01/49/281380149.db2.gz FCYNLIZPXCNIHJ-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000248175994 432274112 /nfs/dbraw/zinc/27/41/12/432274112.db2.gz VOHSATNYOCYSKA-KURKYZTESA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000248175994 432274114 /nfs/dbraw/zinc/27/41/14/432274114.db2.gz VOHSATNYOCYSKA-KURKYZTESA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000248175994 432274117 /nfs/dbraw/zinc/27/41/17/432274117.db2.gz VOHSATNYOCYSKA-KURKYZTESA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000248175994 432274120 /nfs/dbraw/zinc/27/41/20/432274120.db2.gz VOHSATNYOCYSKA-KURKYZTESA-N 3 2 309.542 3.207 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(F)c1F ZINC000183267418 432275820 /nfs/dbraw/zinc/27/58/20/432275820.db2.gz JZEMLXLLBVNXKT-KGLIPLIRSA-N 2 2 324.415 3.116 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000270689543 432276446 /nfs/dbraw/zinc/27/64/46/432276446.db2.gz XDVDAGWQXRMJIS-SFHVURJKSA-N 2 2 317.408 3.012 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000270689543 432276450 /nfs/dbraw/zinc/27/64/50/432276450.db2.gz XDVDAGWQXRMJIS-SFHVURJKSA-N 2 2 317.408 3.012 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151807408 432279230 /nfs/dbraw/zinc/27/92/30/432279230.db2.gz RGKMSTHFDSTHHK-LAUBAEHRSA-N 2 2 324.468 3.065 20 0 DGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183321243 432281736 /nfs/dbraw/zinc/28/17/36/432281736.db2.gz DLOYQNLCIFPIPE-IRXDYDNUSA-N 2 2 312.457 3.350 20 0 DGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183321243 432281739 /nfs/dbraw/zinc/28/17/39/432281739.db2.gz DLOYQNLCIFPIPE-IRXDYDNUSA-N 2 2 312.457 3.350 20 0 DGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1Br ZINC000151922259 432289260 /nfs/dbraw/zinc/28/92/60/432289260.db2.gz ISVRYMBOBQUSMT-JTQLQIEISA-N 2 2 303.219 3.191 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000248526445 432297765 /nfs/dbraw/zinc/29/77/65/432297765.db2.gz FRJBIBZROSPDAP-HZPDHXFCSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nc2ccccc2n1C ZINC000248526445 432297769 /nfs/dbraw/zinc/29/77/69/432297769.db2.gz FRJBIBZROSPDAP-HZPDHXFCSA-N 2 2 314.477 3.488 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000270593343 432261145 /nfs/dbraw/zinc/26/11/45/432261145.db2.gz FJNMIMWPGXLJLJ-SFHVURJKSA-N 2 2 323.444 3.305 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000270593343 432261149 /nfs/dbraw/zinc/26/11/49/432261149.db2.gz FJNMIMWPGXLJLJ-SFHVURJKSA-N 2 2 323.444 3.305 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000270619390 432265537 /nfs/dbraw/zinc/26/55/37/432265537.db2.gz CYEZUFAOZWCIEK-IBGZPJMESA-N 2 2 306.413 3.098 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000270619390 432265544 /nfs/dbraw/zinc/26/55/44/432265544.db2.gz CYEZUFAOZWCIEK-IBGZPJMESA-N 2 2 306.413 3.098 20 0 DGADLP c1cn(CCC[N@@H+]2CC[C@H](CSc3ccccc3)C2)c[nH+]1 ZINC000183182481 432266688 /nfs/dbraw/zinc/26/66/88/432266688.db2.gz FSECRGBZMLTMMH-INIZCTEOSA-N 2 2 301.459 3.387 20 0 DGADLP c1cn(CCC[N@H+]2CC[C@H](CSc3ccccc3)C2)c[nH+]1 ZINC000183182481 432266690 /nfs/dbraw/zinc/26/66/90/432266690.db2.gz FSECRGBZMLTMMH-INIZCTEOSA-N 2 2 301.459 3.387 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000192043843 432326770 /nfs/dbraw/zinc/32/67/70/432326770.db2.gz CWCLVWGKQSPZPP-SJORKVTESA-N 2 2 308.853 3.246 20 0 DGADLP CCC(CC)(CNCc1c[nH+]cn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000152360572 432327766 /nfs/dbraw/zinc/32/77/66/432327766.db2.gz HCBHTBIRAVRPPF-INIZCTEOSA-N 2 2 314.477 3.419 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CCC[C@@H]3C[NH+]3CCCC3)n2c1 ZINC000271198576 432351137 /nfs/dbraw/zinc/35/11/37/432351137.db2.gz PJPVVLFGEWJFLD-OAHLLOKOSA-N 2 2 318.852 3.048 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1F ZINC000152744364 432353392 /nfs/dbraw/zinc/35/33/92/432353392.db2.gz HHWKKYYPNOWAFT-GFCCVEGCSA-N 2 2 305.372 3.391 20 0 DGADLP CCCC[C@H](COC)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152111126 432304114 /nfs/dbraw/zinc/30/41/14/432304114.db2.gz JNILTRSQJJOPAB-GOSISDBHSA-N 2 2 301.434 3.226 20 0 DGADLP C[C@@H]1CC[N@H+](CCCOCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248599364 432305560 /nfs/dbraw/zinc/30/55/60/432305560.db2.gz UPEIJXCIJGDLQF-IEBWSBKVSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248599364 432305563 /nfs/dbraw/zinc/30/55/63/432305563.db2.gz UPEIJXCIJGDLQF-IEBWSBKVSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000270942888 432305613 /nfs/dbraw/zinc/30/56/13/432305613.db2.gz YUYBYUYYCOKKJK-LBPRGKRZSA-N 2 2 300.431 3.494 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000270942888 432305616 /nfs/dbraw/zinc/30/56/16/432305616.db2.gz YUYBYUYYCOKKJK-LBPRGKRZSA-N 2 2 300.431 3.494 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000270965992 432308556 /nfs/dbraw/zinc/30/85/56/432308556.db2.gz BTTPOKVRXPBQTM-QAPCUYQASA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000270965992 432308561 /nfs/dbraw/zinc/30/85/61/432308561.db2.gz BTTPOKVRXPBQTM-QAPCUYQASA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000270965992 432308565 /nfs/dbraw/zinc/30/85/65/432308565.db2.gz BTTPOKVRXPBQTM-QAPCUYQASA-N 2 2 312.461 3.195 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000270965992 432308570 /nfs/dbraw/zinc/30/85/70/432308570.db2.gz BTTPOKVRXPBQTM-QAPCUYQASA-N 2 2 312.461 3.195 20 0 DGADLP CCC[NH+](CCC)CCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000152176725 432311253 /nfs/dbraw/zinc/31/12/53/432311253.db2.gz DGEMOHLBULJDAC-UHFFFAOYSA-N 2 2 306.454 3.332 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464610 432378596 /nfs/dbraw/zinc/37/85/96/432378596.db2.gz QSYLODBYQFHBKD-GOSISDBHSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464610 432378600 /nfs/dbraw/zinc/37/86/00/432378600.db2.gz QSYLODBYQFHBKD-GOSISDBHSA-N 2 2 318.436 3.205 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000252956620 432387774 /nfs/dbraw/zinc/38/77/74/432387774.db2.gz JWWPHWCRRVJIDH-XOKHGSTOSA-N 2 2 310.869 3.394 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000250119628 432363395 /nfs/dbraw/zinc/36/33/95/432363395.db2.gz VAEDETPVHQOQIP-WBVHZDCISA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000250119628 432363399 /nfs/dbraw/zinc/36/33/99/432363399.db2.gz VAEDETPVHQOQIP-WBVHZDCISA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000250119628 432363404 /nfs/dbraw/zinc/36/34/04/432363404.db2.gz VAEDETPVHQOQIP-WBVHZDCISA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000250119628 432363407 /nfs/dbraw/zinc/36/34/07/432363407.db2.gz VAEDETPVHQOQIP-WBVHZDCISA-N 2 2 305.441 3.307 20 0 DGADLP Brc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250152779 432365100 /nfs/dbraw/zinc/36/51/00/432365100.db2.gz BCLPKZKYASXVOQ-QWRGUYRKSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250152779 432365104 /nfs/dbraw/zinc/36/51/04/432365104.db2.gz BCLPKZKYASXVOQ-QWRGUYRKSA-N 2 2 315.280 3.227 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cncs1 ZINC000153649376 432428309 /nfs/dbraw/zinc/42/83/09/432428309.db2.gz JADHDVNEGVPMAC-LLVKDONJSA-N 2 2 302.378 3.319 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cncs1 ZINC000153649276 432428422 /nfs/dbraw/zinc/42/84/22/432428422.db2.gz JADHDVNEGVPMAC-NSHDSACASA-N 2 2 302.378 3.319 20 0 DGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271951733 432431231 /nfs/dbraw/zinc/43/12/31/432431231.db2.gz DJUPJBJTYKJRNY-UGSOOPFHSA-N 2 2 313.376 3.339 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261628122 432435017 /nfs/dbraw/zinc/43/50/17/432435017.db2.gz CUKDGRVIAMHPLG-WMZOPIPTSA-N 3 2 306.413 3.079 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261628119 432435676 /nfs/dbraw/zinc/43/56/76/432435676.db2.gz CUKDGRVIAMHPLG-AEFFLSMTSA-N 3 2 306.413 3.079 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000153785254 432442881 /nfs/dbraw/zinc/44/28/81/432442881.db2.gz IUQJZVUZITXPRH-SFHVURJKSA-N 2 2 322.880 3.106 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000153785254 432442883 /nfs/dbraw/zinc/44/28/83/432442883.db2.gz IUQJZVUZITXPRH-SFHVURJKSA-N 2 2 322.880 3.106 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2([C@H](O)C(C)C)CC2)n1-c1ccccc1 ZINC000272089954 432443610 /nfs/dbraw/zinc/44/36/10/432443610.db2.gz SUIQISYQFWPTPF-GOSISDBHSA-N 2 2 313.445 3.067 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cs1 ZINC000261783188 432449872 /nfs/dbraw/zinc/44/98/72/432449872.db2.gz PTOMDHULMILBRH-HNNXBMFYSA-N 2 2 305.472 3.057 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cs1 ZINC000261783188 432449875 /nfs/dbraw/zinc/44/98/75/432449875.db2.gz PTOMDHULMILBRH-HNNXBMFYSA-N 2 2 305.472 3.057 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)C1CC[NH2+]CC1 ZINC000261780687 432450497 /nfs/dbraw/zinc/45/04/97/432450497.db2.gz WUTYKJNVESDPAS-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)C1CC[NH2+]CC1 ZINC000261780687 432450501 /nfs/dbraw/zinc/45/05/01/432450501.db2.gz WUTYKJNVESDPAS-UHFFFAOYSA-N 2 2 323.868 3.051 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261796796 432451348 /nfs/dbraw/zinc/45/13/48/432451348.db2.gz NXLLZJJGUALRLA-BDJLRTHQSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261796796 432451351 /nfs/dbraw/zinc/45/13/51/432451351.db2.gz NXLLZJJGUALRLA-BDJLRTHQSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000261831629 432455221 /nfs/dbraw/zinc/45/52/21/432455221.db2.gz JDGFDPDOTGWBDL-MLGOLLRUSA-N 2 2 308.853 3.298 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000261831629 432455226 /nfs/dbraw/zinc/45/52/26/432455226.db2.gz JDGFDPDOTGWBDL-MLGOLLRUSA-N 2 2 308.853 3.298 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000261856437 432456684 /nfs/dbraw/zinc/45/66/84/432456684.db2.gz VYPOXSPJOLBKQD-DLBZAZTESA-N 2 2 318.367 3.215 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000261856437 432456688 /nfs/dbraw/zinc/45/66/88/432456688.db2.gz VYPOXSPJOLBKQD-DLBZAZTESA-N 2 2 318.367 3.215 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@@H](C)C1 ZINC000271508343 432410061 /nfs/dbraw/zinc/41/00/61/432410061.db2.gz OGZQCXFBVBLNEC-FZMZJTMJSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2OC(F)F)[C@@H](C)C1 ZINC000271508343 432410064 /nfs/dbraw/zinc/41/00/64/432410064.db2.gz OGZQCXFBVBLNEC-FZMZJTMJSA-N 2 2 316.367 3.247 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262097779 432473147 /nfs/dbraw/zinc/47/31/47/432473147.db2.gz IOOXTSDVCCZPIT-BNOWGMLFSA-N 2 2 314.351 3.473 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262097779 432473154 /nfs/dbraw/zinc/47/31/54/432473154.db2.gz IOOXTSDVCCZPIT-BNOWGMLFSA-N 2 2 314.351 3.473 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@H]1[NH3+] ZINC000262106245 432473447 /nfs/dbraw/zinc/47/34/47/432473447.db2.gz WAHKZFFVQDZLKB-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@H]1[NH3+] ZINC000262106245 432473451 /nfs/dbraw/zinc/47/34/51/432473451.db2.gz WAHKZFFVQDZLKB-AUUYWEPGSA-N 2 2 314.404 3.184 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000262127065 432476122 /nfs/dbraw/zinc/47/61/22/432476122.db2.gz XVOHSVQTUBZLLY-KRWDZBQOSA-N 2 2 310.388 3.090 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000262127065 432476123 /nfs/dbraw/zinc/47/61/23/432476123.db2.gz XVOHSVQTUBZLLY-KRWDZBQOSA-N 2 2 310.388 3.090 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCO[C@@H]3CC(C)C)n2c1 ZINC000185194991 432476280 /nfs/dbraw/zinc/47/62/80/432476280.db2.gz BKBGVVBKFXXTHA-DLBZAZTESA-N 2 2 301.434 3.326 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000185215332 432479919 /nfs/dbraw/zinc/47/99/19/432479919.db2.gz IDRXENPHJWLTSR-CVEARBPZSA-N 2 2 305.466 3.455 20 0 DGADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC1 ZINC000272304487 432480068 /nfs/dbraw/zinc/48/00/68/432480068.db2.gz SALFWJSKIMZDNW-KRWDZBQOSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000262419621 432486526 /nfs/dbraw/zinc/48/65/26/432486526.db2.gz DWIYKEBXSLQRDG-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C[C@@H]1C[NH3+] ZINC000262419621 432486529 /nfs/dbraw/zinc/48/65/29/432486529.db2.gz DWIYKEBXSLQRDG-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000262522408 432489071 /nfs/dbraw/zinc/48/90/71/432489071.db2.gz OHZLHRLYKLRYAQ-ZIAGYGMSSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000262522408 432489074 /nfs/dbraw/zinc/48/90/74/432489074.db2.gz OHZLHRLYKLRYAQ-ZIAGYGMSSA-N 2 2 315.848 3.238 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272447444 432504023 /nfs/dbraw/zinc/50/40/23/432504023.db2.gz VHFXZNWBCQHFJD-RSPOEFSDSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447444 432504027 /nfs/dbraw/zinc/50/40/27/432504027.db2.gz VHFXZNWBCQHFJD-RSPOEFSDSA-N 3 2 324.472 3.057 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193874887 432505151 /nfs/dbraw/zinc/50/51/51/432505151.db2.gz ZPTDLERTBMNBIJ-KRWDZBQOSA-N 2 2 324.428 3.034 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193874887 432505154 /nfs/dbraw/zinc/50/51/54/432505154.db2.gz ZPTDLERTBMNBIJ-KRWDZBQOSA-N 2 2 324.428 3.034 20 0 DGADLP CC[N@H+](CC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000262896372 432507062 /nfs/dbraw/zinc/50/70/62/432507062.db2.gz DBRQQGCQCRQFSA-LBPRGKRZSA-N 2 2 315.280 3.267 20 0 DGADLP CC[N@@H+](CC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000262896372 432507066 /nfs/dbraw/zinc/50/70/66/432507066.db2.gz DBRQQGCQCRQFSA-LBPRGKRZSA-N 2 2 315.280 3.267 20 0 DGADLP CCc1cc(OC)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261929431 432462636 /nfs/dbraw/zinc/46/26/36/432462636.db2.gz LIAGXIXNVMEDMG-VQTJNVASSA-N 2 2 310.441 3.184 20 0 DGADLP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261929431 432462641 /nfs/dbraw/zinc/46/26/41/432462641.db2.gz LIAGXIXNVMEDMG-VQTJNVASSA-N 2 2 310.441 3.184 20 0 DGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000155495518 432557685 /nfs/dbraw/zinc/55/76/85/432557685.db2.gz NGNJQKMHGDKNRS-UHFFFAOYSA-N 2 2 323.400 3.425 20 0 DGADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162574 432559353 /nfs/dbraw/zinc/55/93/53/432559353.db2.gz ACSZYCIQTCXNDF-OCCSQVGLSA-N 2 2 317.462 3.045 20 0 DGADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162574 432559356 /nfs/dbraw/zinc/55/93/56/432559356.db2.gz ACSZYCIQTCXNDF-OCCSQVGLSA-N 2 2 317.462 3.045 20 0 DGADLP Brc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000176912462 432563950 /nfs/dbraw/zinc/56/39/50/432563950.db2.gz TXYIJYSZRMRPLW-UHFFFAOYSA-N 2 2 320.234 3.483 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000185620765 432517197 /nfs/dbraw/zinc/51/71/97/432517197.db2.gz QBQLSLVTAHFFGG-CGTJXYLNSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000185620765 432517201 /nfs/dbraw/zinc/51/72/01/432517201.db2.gz QBQLSLVTAHFFGG-CGTJXYLNSA-N 2 2 322.493 3.057 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000185748327 432530852 /nfs/dbraw/zinc/53/08/52/432530852.db2.gz OHKRMQCFBKJXJF-XJKSGUPXSA-N 2 2 315.436 3.075 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000185748327 432530853 /nfs/dbraw/zinc/53/08/53/432530853.db2.gz OHKRMQCFBKJXJF-XJKSGUPXSA-N 2 2 315.436 3.075 20 0 DGADLP c1[nH]c(C[NH2+]CCCCNc2cccc[nH+]2)nc1-c1ccccc1 ZINC000194286588 432538940 /nfs/dbraw/zinc/53/89/40/432538940.db2.gz UTDMWECMZHPSNP-UHFFFAOYSA-N 2 2 321.428 3.454 20 0 DGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000185926356 432546152 /nfs/dbraw/zinc/54/61/52/432546152.db2.gz BZTBHVDXLISQFE-SECBINFHSA-N 2 2 304.341 3.099 20 0 DGADLP FC(F)(F)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177352365 432615551 /nfs/dbraw/zinc/61/55/51/432615551.db2.gz RFDPOQFKDRGYPR-UHFFFAOYSA-N 2 2 310.323 3.042 20 0 DGADLP c1cc2c(nc[nH+]c2NCc2ccc(N3CCCCCC3)[nH+]c2)[nH]1 ZINC000263731793 432571633 /nfs/dbraw/zinc/57/16/33/432571633.db2.gz CRAZKHWFEMYSEO-UHFFFAOYSA-N 2 2 322.416 3.345 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000263771598 432576050 /nfs/dbraw/zinc/57/60/50/432576050.db2.gz WQZUQAISHAUOND-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000263771598 432576054 /nfs/dbraw/zinc/57/60/54/432576054.db2.gz WQZUQAISHAUOND-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@H](c1ccccc1)[NH+](C)C ZINC000186320741 432580579 /nfs/dbraw/zinc/58/05/79/432580579.db2.gz UCOJQVAXXFJKNY-POZUXBRTSA-N 2 2 312.461 3.079 20 0 DGADLP c1cc2cccc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)c2[nH]1 ZINC000263859705 432584988 /nfs/dbraw/zinc/58/49/88/432584988.db2.gz UQJOLJNPNZMQDQ-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC000177492439 432629820 /nfs/dbraw/zinc/62/98/20/432629820.db2.gz MSJPPDKRIFJYBR-OAHLLOKOSA-N 2 2 308.441 3.366 20 0 DGADLP CCc1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000158901579 432663033 /nfs/dbraw/zinc/66/30/33/432663033.db2.gz MRELDOWDFMQBSC-HNNXBMFYSA-N 2 2 320.481 3.109 20 0 DGADLP CCc1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000158901579 432663038 /nfs/dbraw/zinc/66/30/38/432663038.db2.gz MRELDOWDFMQBSC-HNNXBMFYSA-N 2 2 320.481 3.109 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000219577898 432663373 /nfs/dbraw/zinc/66/33/73/432663373.db2.gz FYBHTWSKRDJJLZ-UHFFFAOYSA-N 2 2 302.340 3.159 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccn1 ZINC000158961219 432664000 /nfs/dbraw/zinc/66/40/00/432664000.db2.gz BZSKZHUUZBOOEF-SFHVURJKSA-N 2 2 305.466 3.013 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274675078 432695864 /nfs/dbraw/zinc/69/58/64/432695864.db2.gz YSLSSVCNSBHYIW-MRVPVSSYSA-N 2 2 304.341 3.018 20 0 DGADLP Cn1c[nH+]cc1CNc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178194380 432705153 /nfs/dbraw/zinc/70/51/53/432705153.db2.gz IAPNPOZXXQAGJG-UHFFFAOYSA-N 2 2 307.401 3.232 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000274762697 432705316 /nfs/dbraw/zinc/70/53/16/432705316.db2.gz PLMSAKNRTJRFNB-AYOQOUSVSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000274762697 432705320 /nfs/dbraw/zinc/70/53/20/432705320.db2.gz PLMSAKNRTJRFNB-AYOQOUSVSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)C[N@@H+]1C1CC1 ZINC000188125656 432706209 /nfs/dbraw/zinc/70/62/09/432706209.db2.gz GSFAEDRCAJMAJF-SJORKVTESA-N 2 2 302.462 3.451 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)C[N@H+]1C1CC1 ZINC000188125656 432706213 /nfs/dbraw/zinc/70/62/13/432706213.db2.gz GSFAEDRCAJMAJF-SJORKVTESA-N 2 2 302.462 3.451 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789619 432708551 /nfs/dbraw/zinc/70/85/51/432708551.db2.gz RBTLFQVRSDNASO-LALPHHSUSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789619 432708554 /nfs/dbraw/zinc/70/85/54/432708554.db2.gz RBTLFQVRSDNASO-LALPHHSUSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789624 432708962 /nfs/dbraw/zinc/70/89/62/432708962.db2.gz RBTLFQVRSDNASO-TYNCELHUSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789624 432708965 /nfs/dbraw/zinc/70/89/65/432708965.db2.gz RBTLFQVRSDNASO-TYNCELHUSA-N 2 2 320.868 3.045 20 0 DGADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274817053 432711612 /nfs/dbraw/zinc/71/16/12/432711612.db2.gz WWEUCAMZZRNNSE-ZWKOTPCHSA-N 2 2 317.477 3.234 20 0 DGADLP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000265623214 432715115 /nfs/dbraw/zinc/71/51/15/432715115.db2.gz BYLQEIUJMFUWIJ-HUUCEWRRSA-N 2 2 320.433 3.078 20 0 DGADLP COC(=O)c1ccc([C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000265623214 432715118 /nfs/dbraw/zinc/71/51/18/432715118.db2.gz BYLQEIUJMFUWIJ-HUUCEWRRSA-N 2 2 320.433 3.078 20 0 DGADLP Fc1ccc([C@@H](NCC[NH+]2CCCCCC2)c2[nH]cc[nH+]2)cc1 ZINC000187729555 432680461 /nfs/dbraw/zinc/68/04/61/432680461.db2.gz SXIXSMKYOZYKLP-QGZVFWFLSA-N 2 2 316.424 3.104 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979429 432681797 /nfs/dbraw/zinc/68/17/97/432681797.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979429 432681800 /nfs/dbraw/zinc/68/18/00/432681800.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979429 432681804 /nfs/dbraw/zinc/68/18/04/432681804.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979429 432681805 /nfs/dbraw/zinc/68/18/05/432681805.db2.gz OZOPEHFUFADQPR-QFBILLFUSA-N 3 2 315.505 3.242 20 0 DGADLP CCn1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000274559831 432682883 /nfs/dbraw/zinc/68/28/83/432682883.db2.gz JWMSWESPIJAGGD-CQSZACIVSA-N 2 2 309.417 3.159 20 0 DGADLP CCn1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000274559831 432682887 /nfs/dbraw/zinc/68/28/87/432682887.db2.gz JWMSWESPIJAGGD-CQSZACIVSA-N 2 2 309.417 3.159 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000274628178 432689709 /nfs/dbraw/zinc/68/97/09/432689709.db2.gz QVEOELDXTYONNR-SECBINFHSA-N 2 2 304.341 3.099 20 0 DGADLP Fc1cccc(Br)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000160881919 432747639 /nfs/dbraw/zinc/74/76/39/432747639.db2.gz NLFJZSOIKKGGGT-UHFFFAOYSA-N 2 2 315.230 3.164 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000178525068 432748499 /nfs/dbraw/zinc/74/84/99/432748499.db2.gz UHUQBQZDLYSLHG-IAGOWNOFSA-N 2 2 320.477 3.094 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237256380 432782233 /nfs/dbraw/zinc/78/22/33/432782233.db2.gz WTHLJLSJTJOPSD-DLBZAZTESA-N 2 2 304.478 3.480 20 0 DGADLP COC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000275849116 432754213 /nfs/dbraw/zinc/75/42/13/432754213.db2.gz KXMLDOBLTUMNHH-QGZVFWFLSA-N 2 2 301.434 3.290 20 0 DGADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000236867332 432769229 /nfs/dbraw/zinc/76/92/29/432769229.db2.gz GREOCUBBIJURMC-ZDUSSCGKSA-N 2 2 300.406 3.286 20 0 DGADLP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000266611203 432770459 /nfs/dbraw/zinc/77/04/59/432770459.db2.gz WMZBCKMKMTXSJD-YJBOKZPZSA-N 2 2 322.880 3.181 20 0 DGADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Cl ZINC000266611203 432770468 /nfs/dbraw/zinc/77/04/68/432770468.db2.gz WMZBCKMKMTXSJD-YJBOKZPZSA-N 2 2 322.880 3.181 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCS2 ZINC000276168929 432779141 /nfs/dbraw/zinc/77/91/41/432779141.db2.gz SDAROMPSLPBCHP-SWLSCSKDSA-N 2 2 303.431 3.107 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1Br)C[C@H]1CCC[NH2+]C1 ZINC000234358959 432740509 /nfs/dbraw/zinc/74/05/09/432740509.db2.gz LWIDDFXTSKCGFE-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1Br)C[C@H]1CCC[NH2+]C1 ZINC000234358959 432740512 /nfs/dbraw/zinc/74/05/12/432740512.db2.gz LWIDDFXTSKCGFE-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP Clc1ccc(Br)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000236047936 432746445 /nfs/dbraw/zinc/74/64/45/432746445.db2.gz FJVHMUHBOUEAQN-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000162244019 432817160 /nfs/dbraw/zinc/81/71/60/432817160.db2.gz SDTVZKPUZUNRRD-SFHVURJKSA-N 2 2 323.440 3.192 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)C[C@H]3c3ccccc3)n2c1 ZINC000245502747 432837725 /nfs/dbraw/zinc/83/77/25/432837725.db2.gz GUKGVJORAPKZGO-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)C[C@H]3c3ccccc3)n2c1 ZINC000245502747 432837728 /nfs/dbraw/zinc/83/77/28/432837728.db2.gz GUKGVJORAPKZGO-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP CC[N@H+](CC[C@@H]1CCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482173 432790401 /nfs/dbraw/zinc/79/04/01/432790401.db2.gz QNKABNQPXXGCMS-SFHVURJKSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+](CC[C@@H]1CCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482173 432790404 /nfs/dbraw/zinc/79/04/04/432790404.db2.gz QNKABNQPXXGCMS-SFHVURJKSA-N 2 2 317.477 3.189 20 0 DGADLP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000266944710 432800831 /nfs/dbraw/zinc/80/08/31/432800831.db2.gz SEGNIXIYOWYUMM-CHWSQXEVSA-N 2 2 303.410 3.076 20 0 DGADLP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000266944710 432800834 /nfs/dbraw/zinc/80/08/34/432800834.db2.gz SEGNIXIYOWYUMM-CHWSQXEVSA-N 2 2 303.410 3.076 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000276461377 432810827 /nfs/dbraw/zinc/81/08/27/432810827.db2.gz WPGOKHWTCYYXPB-PVAVHDDUSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000276461377 432810829 /nfs/dbraw/zinc/81/08/29/432810829.db2.gz WPGOKHWTCYYXPB-PVAVHDDUSA-N 2 2 313.445 3.377 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@@H]1CC[NH2+]C1 ZINC000238128615 432812860 /nfs/dbraw/zinc/81/28/60/432812860.db2.gz CITZBKMXAHDHDC-CYBMUJFWSA-N 2 2 312.417 3.159 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)cc2Cl)CCCO1 ZINC000277914971 432878750 /nfs/dbraw/zinc/87/87/50/432878750.db2.gz PPNNFCQRSJDKMC-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)cc2Cl)CCCO1 ZINC000277914971 432878751 /nfs/dbraw/zinc/87/87/51/432878751.db2.gz PPNNFCQRSJDKMC-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP Fc1ccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000268056002 432841199 /nfs/dbraw/zinc/84/11/99/432841199.db2.gz YAFLVCFHKVYPFU-QGZVFWFLSA-N 2 2 322.387 3.396 20 0 DGADLP Fc1ccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000268056002 432841202 /nfs/dbraw/zinc/84/12/02/432841202.db2.gz YAFLVCFHKVYPFU-QGZVFWFLSA-N 2 2 322.387 3.396 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000245572743 432846640 /nfs/dbraw/zinc/84/66/40/432846640.db2.gz CPPROEPUAJHJNU-DZFGPLHGSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000245572743 432846644 /nfs/dbraw/zinc/84/66/44/432846644.db2.gz CPPROEPUAJHJNU-DZFGPLHGSA-N 2 2 324.468 3.281 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163244925 432848648 /nfs/dbraw/zinc/84/86/48/432848648.db2.gz XMHQIMLFQZTAFG-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163244925 432848651 /nfs/dbraw/zinc/84/86/51/432848651.db2.gz XMHQIMLFQZTAFG-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000245623797 432850800 /nfs/dbraw/zinc/85/08/00/432850800.db2.gz PLQBHCKNNXKYBH-UYTYNIKBSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000245623797 432850801 /nfs/dbraw/zinc/85/08/01/432850801.db2.gz PLQBHCKNNXKYBH-UYTYNIKBSA-N 2 2 306.494 3.044 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000289296737 432941353 /nfs/dbraw/zinc/94/13/53/432941353.db2.gz RRDPMYONXVVLRD-WQGACYEGSA-N 2 2 304.409 3.036 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000289296737 432941355 /nfs/dbraw/zinc/94/13/55/432941355.db2.gz RRDPMYONXVVLRD-WQGACYEGSA-N 2 2 304.409 3.036 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000289305335 432942635 /nfs/dbraw/zinc/94/26/35/432942635.db2.gz APMUJVWZVAIKGB-INIZCTEOSA-N 2 2 306.450 3.030 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000278793748 432901682 /nfs/dbraw/zinc/90/16/82/432901682.db2.gz QNHMJRQOYNJICT-LSDHHAIUSA-N 2 2 322.449 3.085 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000278793748 432901685 /nfs/dbraw/zinc/90/16/85/432901685.db2.gz QNHMJRQOYNJICT-LSDHHAIUSA-N 2 2 322.449 3.085 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288926354 432906355 /nfs/dbraw/zinc/90/63/55/432906355.db2.gz VIAZQKASNBOXEK-QAPCUYQASA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288926354 432906358 /nfs/dbraw/zinc/90/63/58/432906358.db2.gz VIAZQKASNBOXEK-QAPCUYQASA-N 2 2 324.428 3.175 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000278871703 432910679 /nfs/dbraw/zinc/91/06/79/432910679.db2.gz YQOXXVWWWDZBIV-HNNXBMFYSA-N 2 2 319.518 3.382 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000289033746 432914677 /nfs/dbraw/zinc/91/46/77/432914677.db2.gz AAYCTGJCQTXDOO-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341139048 432974132 /nfs/dbraw/zinc/97/41/32/432974132.db2.gz REGGCUUTSPZYBL-LBPRGKRZSA-N 2 2 317.418 3.078 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341139048 432974136 /nfs/dbraw/zinc/97/41/36/432974136.db2.gz REGGCUUTSPZYBL-LBPRGKRZSA-N 2 2 317.418 3.078 20 0 DGADLP Clc1cnc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000349628952 432984396 /nfs/dbraw/zinc/98/43/96/432984396.db2.gz HZZVYBJGKSACSA-UHFFFAOYSA-N 2 2 318.833 3.331 20 0 DGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000290112397 432994392 /nfs/dbraw/zinc/99/43/92/432994392.db2.gz YNZCGVBZEFUGSR-IAGOWNOFSA-N 2 2 311.385 3.201 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000279347279 432957133 /nfs/dbraw/zinc/95/71/33/432957133.db2.gz VGPSDYVHPZXZAQ-CQSZACIVSA-N 2 2 317.458 3.257 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000279347279 432957137 /nfs/dbraw/zinc/95/71/37/432957137.db2.gz VGPSDYVHPZXZAQ-CQSZACIVSA-N 2 2 317.458 3.257 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)CCCn3cc[nH+]c3)s2)o1 ZINC000349424159 432959338 /nfs/dbraw/zinc/95/93/38/432959338.db2.gz ZNPOTVGFKJIIII-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)CCCn3cc[nH+]c3)s2)o1 ZINC000349424159 432959340 /nfs/dbraw/zinc/95/93/40/432959340.db2.gz ZNPOTVGFKJIIII-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000297142525 432963754 /nfs/dbraw/zinc/96/37/54/432963754.db2.gz ZNMNAXRQDVCWGA-OGWHTMIXSA-N 2 2 324.472 3.074 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000297142525 432963762 /nfs/dbraw/zinc/96/37/62/432963762.db2.gz ZNMNAXRQDVCWGA-OGWHTMIXSA-N 2 2 324.472 3.074 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H](C)C1 ZINC000349972902 433044687 /nfs/dbraw/zinc/04/46/87/433044687.db2.gz UNPDZIIFMTYSHC-MDZRGWNJSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCOC(C)C)CC1 ZINC000280170816 433009908 /nfs/dbraw/zinc/00/99/08/433009908.db2.gz GBMVZOZBQGMLMN-UHFFFAOYSA-N 2 2 301.434 3.407 20 0 DGADLP CSC1(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000290196919 433010119 /nfs/dbraw/zinc/01/01/19/433010119.db2.gz CRNWVTIKUYUCMO-CQSZACIVSA-N 2 2 305.491 3.092 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000341269970 433010247 /nfs/dbraw/zinc/01/02/47/433010247.db2.gz USMBERTZSHGREI-WZGPROSRSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000341269970 433010250 /nfs/dbraw/zinc/01/02/50/433010250.db2.gz USMBERTZSHGREI-WZGPROSRSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000341269966 433010694 /nfs/dbraw/zinc/01/06/94/433010694.db2.gz USMBERTZSHGREI-NXWXRZEISA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000341269966 433010698 /nfs/dbraw/zinc/01/06/98/433010698.db2.gz USMBERTZSHGREI-NXWXRZEISA-N 2 2 302.462 3.227 20 0 DGADLP c1cc(N2CCCCC2)[nH+]cc1NC1CC[NH+](C2CC2)CC1 ZINC000297771344 433016831 /nfs/dbraw/zinc/01/68/31/433016831.db2.gz VREMLHCTAKXXPD-UHFFFAOYSA-N 2 2 300.450 3.111 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1nccs1 ZINC000349843744 433019464 /nfs/dbraw/zinc/01/94/64/433019464.db2.gz YABCZOMHKZKFBE-NSHDSACASA-N 2 2 321.412 3.253 20 0 DGADLP c1cn(-c2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)c[nH+]1 ZINC000297871560 433027012 /nfs/dbraw/zinc/02/70/12/433027012.db2.gz PVURCROYTBCSLK-UHFFFAOYSA-N 2 2 319.412 3.348 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297883609 433027230 /nfs/dbraw/zinc/02/72/30/433027230.db2.gz VFLAOWCXCLKSGK-XFJVYGCCSA-N 2 2 305.853 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297883609 433027234 /nfs/dbraw/zinc/02/72/34/433027234.db2.gz VFLAOWCXCLKSGK-XFJVYGCCSA-N 2 2 305.853 3.185 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297747 433028665 /nfs/dbraw/zinc/02/86/65/433028665.db2.gz AYLHEDOCETXCNK-GXTWGEPZSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297747 433028667 /nfs/dbraw/zinc/02/86/67/433028667.db2.gz AYLHEDOCETXCNK-GXTWGEPZSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297747 433028670 /nfs/dbraw/zinc/02/86/70/433028670.db2.gz AYLHEDOCETXCNK-GXTWGEPZSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297747 433028672 /nfs/dbraw/zinc/02/86/72/433028672.db2.gz AYLHEDOCETXCNK-GXTWGEPZSA-N 2 2 305.447 3.175 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1O ZINC000297967644 433036887 /nfs/dbraw/zinc/03/68/87/433036887.db2.gz WYOSVTLLMNBKMI-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1O ZINC000297967644 433036892 /nfs/dbraw/zinc/03/68/92/433036892.db2.gz WYOSVTLLMNBKMI-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP CCc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000341371883 433039810 /nfs/dbraw/zinc/03/98/10/433039810.db2.gz MDNPBDYASATDJA-KRWDZBQOSA-N 2 2 310.445 3.596 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CCSC1 ZINC000341377102 433041594 /nfs/dbraw/zinc/04/15/94/433041594.db2.gz RJMGULKDIPHIBV-JXQTWKCFSA-N 2 2 324.456 3.382 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)CCC2 ZINC000341407400 433049531 /nfs/dbraw/zinc/04/95/31/433049531.db2.gz QRMTVQKKBNPKDV-XMTFNYHQSA-N 2 2 317.477 3.254 20 0 DGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000333364396 433050572 /nfs/dbraw/zinc/05/05/72/433050572.db2.gz XXNFUQPQPVVGEI-GOSISDBHSA-N 2 2 324.428 3.218 20 0 DGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000333364396 433050574 /nfs/dbraw/zinc/05/05/74/433050574.db2.gz XXNFUQPQPVVGEI-GOSISDBHSA-N 2 2 324.428 3.218 20 0 DGADLP CC[C@H]1C[C@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C)c1 ZINC000419733920 433066052 /nfs/dbraw/zinc/06/60/52/433066052.db2.gz UOGCJCLOVGZUAH-HNAYVOBHSA-N 2 2 312.461 3.210 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c[nH+]1 ZINC000354412718 433066274 /nfs/dbraw/zinc/06/62/74/433066274.db2.gz QKELIZLHVQEGAQ-SFHVURJKSA-N 2 2 300.446 3.214 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c[nH+]1 ZINC000354412718 433066278 /nfs/dbraw/zinc/06/62/78/433066278.db2.gz QKELIZLHVQEGAQ-SFHVURJKSA-N 2 2 300.446 3.214 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000290490552 433067982 /nfs/dbraw/zinc/06/79/82/433067982.db2.gz XTGCKRPFDAIQAW-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000290490552 433067994 /nfs/dbraw/zinc/06/79/94/433067994.db2.gz XTGCKRPFDAIQAW-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1cc(NCCC[N@@H+](C)C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000341504966 433099071 /nfs/dbraw/zinc/09/90/71/433099071.db2.gz RRAJSCYMFYNAMD-UHFFFAOYSA-N 2 2 302.466 3.729 20 0 DGADLP Cc1cc(NCCC[N@H+](C)C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000341504966 433099081 /nfs/dbraw/zinc/09/90/81/433099081.db2.gz RRAJSCYMFYNAMD-UHFFFAOYSA-N 2 2 302.466 3.729 20 0 DGADLP Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000341460437 433072138 /nfs/dbraw/zinc/07/21/38/433072138.db2.gz AZTPSQACBUOFJX-UHFFFAOYSA-N 2 2 322.456 3.739 20 0 DGADLP Cc1cc(NCCCC[NH+]2CCC(C)CC2)nc(C2CC2)[nH+]1 ZINC000341467066 433073783 /nfs/dbraw/zinc/07/37/83/433073783.db2.gz AUGXFAHHIAURSR-UHFFFAOYSA-N 2 2 302.466 3.586 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299268 433074841 /nfs/dbraw/zinc/07/48/41/433074841.db2.gz XBIHYYFBSJHHKF-WOJBJXKFSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C2CCC2)cc1 ZINC000453299268 433074852 /nfs/dbraw/zinc/07/48/52/433074852.db2.gz XBIHYYFBSJHHKF-WOJBJXKFSA-N 2 2 316.489 3.273 20 0 DGADLP CC[C@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]C1 ZINC000373040369 433075022 /nfs/dbraw/zinc/07/50/22/433075022.db2.gz RBZXCBBHCRHMRB-SFHVURJKSA-N 2 2 311.385 3.202 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000446743424 433098554 /nfs/dbraw/zinc/09/85/54/433098554.db2.gz UZHBEUMTQVLZSD-SFHVURJKSA-N 2 2 301.434 3.104 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749353 433098577 /nfs/dbraw/zinc/09/85/77/433098577.db2.gz ADYMVSWMSPNFTN-MSOLQXFVSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749353 433098587 /nfs/dbraw/zinc/09/85/87/433098587.db2.gz ADYMVSWMSPNFTN-MSOLQXFVSA-N 2 2 308.441 3.223 20 0 DGADLP CC(C)c1nc(N2CCC3(C2)CC[NH2+]CC3)cc(C(C)(C)C)[nH+]1 ZINC000420227553 433129212 /nfs/dbraw/zinc/12/92/12/433129212.db2.gz OFHXWSVMDJQEMZ-UHFFFAOYSA-N 2 2 316.493 3.477 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000373225216 433134906 /nfs/dbraw/zinc/13/49/06/433134906.db2.gz DCSYMWKKRHCSFT-QGZVFWFLSA-N 2 2 309.413 3.076 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000373225216 433134917 /nfs/dbraw/zinc/13/49/17/433134917.db2.gz DCSYMWKKRHCSFT-QGZVFWFLSA-N 2 2 309.413 3.076 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2C)C1 ZINC000420271574 433140783 /nfs/dbraw/zinc/14/07/83/433140783.db2.gz KWKUBOJRBAIILC-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2C)C1 ZINC000420271574 433140791 /nfs/dbraw/zinc/14/07/91/433140791.db2.gz KWKUBOJRBAIILC-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Clc1ccccc1-c1csc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420306530 433154584 /nfs/dbraw/zinc/15/45/84/433154584.db2.gz HSTDAHIKAWQQTA-TXEJJXNPSA-N 2 2 319.861 3.115 20 0 DGADLP Clc1ccccc1-c1csc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420306530 433154590 /nfs/dbraw/zinc/15/45/90/433154590.db2.gz HSTDAHIKAWQQTA-TXEJJXNPSA-N 2 2 319.861 3.115 20 0 DGADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)nc1 ZINC000420297973 433150645 /nfs/dbraw/zinc/15/06/45/433150645.db2.gz ZJEFJAKEZPYSAJ-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000447068788 433152679 /nfs/dbraw/zinc/15/26/79/433152679.db2.gz SLGRVDYDJKGPEN-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000280595770 433100549 /nfs/dbraw/zinc/10/05/49/433100549.db2.gz IWYBKFZSYGQERD-UHFFFAOYSA-N 2 2 321.428 3.226 20 0 DGADLP CC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]CC1 ZINC000420318093 433158902 /nfs/dbraw/zinc/15/89/02/433158902.db2.gz VSXKYPATWFYINX-JTQLQIEISA-N 2 2 307.385 3.126 20 0 DGADLP CC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CCC[NH2+]CC1 ZINC000420318093 433158910 /nfs/dbraw/zinc/15/89/10/433158910.db2.gz VSXKYPATWFYINX-JTQLQIEISA-N 2 2 307.385 3.126 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c[nH+]1 ZINC000354578850 433159853 /nfs/dbraw/zinc/15/98/53/433159853.db2.gz SWESFSWWEVASIA-NYHFZMIOSA-N 2 2 316.470 3.411 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])cc(C)c1OCC(F)(F)F ZINC000420328508 433164167 /nfs/dbraw/zinc/16/41/67/433164167.db2.gz ZPKGMNJHYHGVIK-GFCCVEGCSA-N 2 2 304.356 3.024 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@@H](C)[NH3+])cc(C)c1OCC(F)(F)F ZINC000420328508 433164171 /nfs/dbraw/zinc/16/41/71/433164171.db2.gz ZPKGMNJHYHGVIK-GFCCVEGCSA-N 2 2 304.356 3.024 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1C ZINC000425331789 433167176 /nfs/dbraw/zinc/16/71/76/433167176.db2.gz YHSPGCGVLVTDRR-KRWDZBQOSA-N 2 2 312.461 3.256 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000420340069 433170924 /nfs/dbraw/zinc/17/09/24/433170924.db2.gz MMSGVAQWFRDFOQ-AZUAARDMSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000420340069 433170932 /nfs/dbraw/zinc/17/09/32/433170932.db2.gz MMSGVAQWFRDFOQ-AZUAARDMSA-N 2 2 310.441 3.293 20 0 DGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335229 433171032 /nfs/dbraw/zinc/17/10/32/433171032.db2.gz IEBPPVPASSSDIF-GUYCJALGSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335229 433171039 /nfs/dbraw/zinc/17/10/39/433171039.db2.gz IEBPPVPASSSDIF-GUYCJALGSA-N 2 2 316.424 3.208 20 0 DGADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000453415993 433171256 /nfs/dbraw/zinc/17/12/56/433171256.db2.gz BSCABSJIGZWZEQ-RTBURBONSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420365766 433180139 /nfs/dbraw/zinc/18/01/39/433180139.db2.gz LNEQZZLKWQQFAK-LALPHHSUSA-N 2 2 316.367 3.104 20 0 DGADLP Cc1cc(C)c(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)c1 ZINC000420368966 433182091 /nfs/dbraw/zinc/18/20/91/433182091.db2.gz XEPSTECGBOEUQN-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000298571613 433182152 /nfs/dbraw/zinc/18/21/52/433182152.db2.gz DMRWAZAZVHCWPM-JKSUJKDBSA-N 2 2 317.452 3.142 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000298571613 433182161 /nfs/dbraw/zinc/18/21/61/433182161.db2.gz DMRWAZAZVHCWPM-JKSUJKDBSA-N 2 2 317.452 3.142 20 0 DGADLP CCc1ccc([C@@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)C)cc1 ZINC000420367601 433183361 /nfs/dbraw/zinc/18/33/61/433183361.db2.gz HDPUYWZRLFLCMH-INIZCTEOSA-N 2 2 316.449 3.313 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382753 433191208 /nfs/dbraw/zinc/19/12/08/433191208.db2.gz DDFWNKZNYAGDSO-IRXDYDNUSA-N 2 2 311.429 3.306 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382753 433191217 /nfs/dbraw/zinc/19/12/17/433191217.db2.gz DDFWNKZNYAGDSO-IRXDYDNUSA-N 2 2 311.429 3.306 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C[S@](C)=O)c2ccccc2)c[nH+]1 ZINC000354635423 433191546 /nfs/dbraw/zinc/19/15/46/433191546.db2.gz QWZRNQXDKHDMFG-GCJKJVERSA-N 2 2 316.470 3.032 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c[nH+]1 ZINC000354645984 433195250 /nfs/dbraw/zinc/19/52/50/433195250.db2.gz JVUJWLWABHITTO-SFHVURJKSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c[nH+]1 ZINC000354645984 433195261 /nfs/dbraw/zinc/19/52/61/433195261.db2.gz JVUJWLWABHITTO-SFHVURJKSA-N 2 2 318.461 3.376 20 0 DGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1cccc(F)c1 ZINC000420397521 433195504 /nfs/dbraw/zinc/19/55/04/433195504.db2.gz XNGGSSNNEYYWMA-IPMKNSEASA-N 2 2 314.379 3.379 20 0 DGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1cccc(F)c1 ZINC000420397521 433195509 /nfs/dbraw/zinc/19/55/09/433195509.db2.gz XNGGSSNNEYYWMA-IPMKNSEASA-N 2 2 314.379 3.379 20 0 DGADLP c1ccc2sc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)nc2c1 ZINC000420399798 433197319 /nfs/dbraw/zinc/19/73/19/433197319.db2.gz OJJPBXPXIPSXMP-HIFRSBDPSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2sc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)nc2c1 ZINC000420399798 433197327 /nfs/dbraw/zinc/19/73/27/433197327.db2.gz OJJPBXPXIPSXMP-HIFRSBDPSA-N 2 2 301.459 3.260 20 0 DGADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1F ZINC000420393587 433198292 /nfs/dbraw/zinc/19/82/92/433198292.db2.gz XVXBXFKCSALJAY-UHOSZYNNSA-N 2 2 314.379 3.379 20 0 DGADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1F ZINC000420393587 433198301 /nfs/dbraw/zinc/19/83/01/433198301.db2.gz XVXBXFKCSALJAY-UHOSZYNNSA-N 2 2 314.379 3.379 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)n1C ZINC000425376375 433214254 /nfs/dbraw/zinc/21/42/54/433214254.db2.gz XNORTBADHKTIMI-KRWDZBQOSA-N 2 2 312.461 3.459 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)n1C ZINC000425376375 433214266 /nfs/dbraw/zinc/21/42/66/433214266.db2.gz XNORTBADHKTIMI-KRWDZBQOSA-N 2 2 312.461 3.459 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000425372689 433214537 /nfs/dbraw/zinc/21/45/37/433214537.db2.gz UCHARJLGHYJNCD-QZTJIDSGSA-N 2 2 312.461 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000425372689 433214544 /nfs/dbraw/zinc/21/45/44/433214544.db2.gz UCHARJLGHYJNCD-QZTJIDSGSA-N 2 2 312.461 3.254 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000280908594 433221662 /nfs/dbraw/zinc/22/16/62/433221662.db2.gz GPSIIIOUZFCHTE-SFHVURJKSA-N 2 2 324.472 3.233 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000280908594 433221670 /nfs/dbraw/zinc/22/16/70/433221670.db2.gz GPSIIIOUZFCHTE-SFHVURJKSA-N 2 2 324.472 3.233 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405446 433230645 /nfs/dbraw/zinc/23/06/45/433230645.db2.gz JFIMKLDXPPTHEO-BQFCYCMXSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405446 433230651 /nfs/dbraw/zinc/23/06/51/433230651.db2.gz JFIMKLDXPPTHEO-BQFCYCMXSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405446 433230658 /nfs/dbraw/zinc/23/06/58/433230658.db2.gz JFIMKLDXPPTHEO-BQFCYCMXSA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000337405446 433230664 /nfs/dbraw/zinc/23/06/64/433230664.db2.gz JFIMKLDXPPTHEO-BQFCYCMXSA-N 2 2 306.498 3.314 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000447569804 433230853 /nfs/dbraw/zinc/23/08/53/433230853.db2.gz DLBXPJLNJNEGIW-LALPHHSUSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000447569804 433230862 /nfs/dbraw/zinc/23/08/62/433230862.db2.gz DLBXPJLNJNEGIW-LALPHHSUSA-N 2 2 311.267 3.440 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354735221 433248571 /nfs/dbraw/zinc/24/85/71/433248571.db2.gz PJBRPKDRQLJDDO-MRXNPFEDSA-N 2 2 307.482 3.270 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354735221 433248578 /nfs/dbraw/zinc/24/85/78/433248578.db2.gz PJBRPKDRQLJDDO-MRXNPFEDSA-N 2 2 307.482 3.270 20 0 DGADLP CCC[NH+](CCC)CCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420781336 433255742 /nfs/dbraw/zinc/25/57/42/433255742.db2.gz BAMZDCQUBYWGJR-UHFFFAOYSA-N 2 2 320.481 3.010 20 0 DGADLP CC[C@H](CSC)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420928341 433323436 /nfs/dbraw/zinc/32/34/36/433323436.db2.gz CSCCDQPFZGDARP-GOSISDBHSA-N 2 2 322.518 3.092 20 0 DGADLP CC[C@H](CSC)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420928341 433323448 /nfs/dbraw/zinc/32/34/48/433323448.db2.gz CSCCDQPFZGDARP-GOSISDBHSA-N 2 2 322.518 3.092 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338201343 433284118 /nfs/dbraw/zinc/28/41/18/433284118.db2.gz ZOKDBEWKOXUVAJ-IIYDPXPESA-N 2 2 324.415 3.041 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338201343 433284121 /nfs/dbraw/zinc/28/41/21/433284121.db2.gz ZOKDBEWKOXUVAJ-IIYDPXPESA-N 2 2 324.415 3.041 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2[nH+]1 ZINC000361607848 433284862 /nfs/dbraw/zinc/28/48/62/433284862.db2.gz CQJGQVFZFAAUQX-UHFFFAOYSA-N 2 2 323.400 3.012 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC(C)=C(C)C3)c2cc1C ZINC000361611644 433292772 /nfs/dbraw/zinc/29/27/72/433292772.db2.gz RAGVPPRLWGIZBA-KRWDZBQOSA-N 2 2 313.445 3.056 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC(C)=C(C)C3)c2cc1C ZINC000361611644 433292781 /nfs/dbraw/zinc/29/27/81/433292781.db2.gz RAGVPPRLWGIZBA-KRWDZBQOSA-N 2 2 313.445 3.056 20 0 DGADLP C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900212 433301645 /nfs/dbraw/zinc/30/16/45/433301645.db2.gz HNEDMBQZZFZKKZ-MRXNPFEDSA-N 2 2 314.429 3.305 20 0 DGADLP C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900212 433301658 /nfs/dbraw/zinc/30/16/58/433301658.db2.gz HNEDMBQZZFZKKZ-MRXNPFEDSA-N 2 2 314.429 3.305 20 0 DGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CCCC1 ZINC000420901920 433304318 /nfs/dbraw/zinc/30/43/18/433304318.db2.gz LMXJPURZUWPTDZ-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CCCC1 ZINC000420901920 433304331 /nfs/dbraw/zinc/30/43/31/433304331.db2.gz LMXJPURZUWPTDZ-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915283 433310817 /nfs/dbraw/zinc/31/08/17/433310817.db2.gz LHHRCXJFKFTRCD-IAGOWNOFSA-N 2 2 302.462 3.282 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC000420915955 433313283 /nfs/dbraw/zinc/31/32/83/433313283.db2.gz NIGIWOMIKXMWBK-IRXDYDNUSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC000420915955 433313290 /nfs/dbraw/zinc/31/32/90/433313290.db2.gz NIGIWOMIKXMWBK-IRXDYDNUSA-N 2 2 302.462 3.139 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000448020658 433345875 /nfs/dbraw/zinc/34/58/75/433345875.db2.gz DCBSDXXTZIXPDJ-JZXOWHBKSA-N 2 2 318.509 3.156 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000448020658 433345887 /nfs/dbraw/zinc/34/58/87/433345887.db2.gz DCBSDXXTZIXPDJ-JZXOWHBKSA-N 2 2 318.509 3.156 20 0 DGADLP CC[N@H+](CCC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910579 433354438 /nfs/dbraw/zinc/35/44/38/433354438.db2.gz OZMCAXSDUBNIHE-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC[N@@H+](CCC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910579 433354446 /nfs/dbraw/zinc/35/44/46/433354446.db2.gz OZMCAXSDUBNIHE-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CCC1CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341910579 433354452 /nfs/dbraw/zinc/35/44/52/433354452.db2.gz OZMCAXSDUBNIHE-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CCC1CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341910579 433354462 /nfs/dbraw/zinc/35/44/62/433354462.db2.gz OZMCAXSDUBNIHE-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414055699 433364648 /nfs/dbraw/zinc/36/46/48/433364648.db2.gz CWAXVZJRXSPKTL-AWEZNQCLSA-N 2 2 323.444 3.228 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO[C@H]1C1CC1 ZINC000375119725 433368236 /nfs/dbraw/zinc/36/82/36/433368236.db2.gz FNPBSNISFCGMRH-RBUKOAKNSA-N 2 2 311.429 3.167 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C2 ZINC000425922313 433374881 /nfs/dbraw/zinc/37/48/81/433374881.db2.gz QUOCXVACPKBRJR-AEFFLSMTSA-N 2 2 316.489 3.263 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000361762768 433375984 /nfs/dbraw/zinc/37/59/84/433375984.db2.gz CJIANVIUSHJFEW-XLMAVXFVSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000361762768 433375989 /nfs/dbraw/zinc/37/59/89/433375989.db2.gz CJIANVIUSHJFEW-XLMAVXFVSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361762768 433376004 /nfs/dbraw/zinc/37/60/04/433376004.db2.gz CJIANVIUSHJFEW-XLMAVXFVSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000361762767 433376351 /nfs/dbraw/zinc/37/63/51/433376351.db2.gz CJIANVIUSHJFEW-MUQADHOPSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000361762767 433376356 /nfs/dbraw/zinc/37/63/56/433376356.db2.gz CJIANVIUSHJFEW-MUQADHOPSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361762767 433376373 /nfs/dbraw/zinc/37/63/73/433376373.db2.gz CJIANVIUSHJFEW-MUQADHOPSA-N 3 2 321.534 3.061 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361769671 433381000 /nfs/dbraw/zinc/38/10/00/433381000.db2.gz GSODZYDDWPBNMX-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361769671 433381005 /nfs/dbraw/zinc/38/10/05/433381005.db2.gz GSODZYDDWPBNMX-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)C[NH+](C)C ZINC000425942329 433382069 /nfs/dbraw/zinc/38/20/69/433382069.db2.gz FHHSUORHHUMNBS-QWRGUYRKSA-N 2 2 304.356 3.275 20 0 DGADLP Cc1c[nH+]cc(CCc2nc(-c3ccc(C[NH+](C)C)cc3)no2)c1 ZINC000291896781 433386040 /nfs/dbraw/zinc/38/60/40/433386040.db2.gz LENFBWMKTPQLFO-UHFFFAOYSA-N 2 2 322.412 3.287 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc2n(n1)CCC2 ZINC000414088092 433388960 /nfs/dbraw/zinc/38/89/60/433388960.db2.gz BQENRZRELUEAHJ-HNNXBMFYSA-N 2 2 316.493 3.277 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1C[C@@H]1C ZINC000414095113 433392140 /nfs/dbraw/zinc/39/21/40/433392140.db2.gz JKUHHVWXVAGEFU-LLLHUVSDSA-N 2 2 302.466 3.068 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000448351270 433394043 /nfs/dbraw/zinc/39/40/43/433394043.db2.gz PVWGJACBKVADPI-KBAYOESNSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000448351270 433394057 /nfs/dbraw/zinc/39/40/57/433394057.db2.gz PVWGJACBKVADPI-KBAYOESNSA-N 2 2 304.503 3.240 20 0 DGADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1C[C@H]1C ZINC000414099443 433396164 /nfs/dbraw/zinc/39/61/64/433396164.db2.gz QIXPSJIENXIXIO-OLMNPRSZSA-N 2 2 316.493 3.459 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc(C)[nH+]1 ZINC000301152902 433432486 /nfs/dbraw/zinc/43/24/86/433432486.db2.gz BLAPXWWUGWDELZ-UHFFFAOYSA-N 2 2 310.445 3.194 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3F)C[C@@H]2C1 ZINC000425999851 433398536 /nfs/dbraw/zinc/39/85/36/433398536.db2.gz AKOKTAHAZQCNEQ-KDURUIRLSA-N 2 2 310.416 3.486 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3F)C[C@@H]2C1 ZINC000425999851 433398545 /nfs/dbraw/zinc/39/85/45/433398545.db2.gz AKOKTAHAZQCNEQ-KDURUIRLSA-N 2 2 310.416 3.486 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3F)C[C@@H]2C1 ZINC000425999851 433398555 /nfs/dbraw/zinc/39/85/55/433398555.db2.gz AKOKTAHAZQCNEQ-KDURUIRLSA-N 2 2 310.416 3.486 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3F)C[C@@H]2C1 ZINC000425999851 433398561 /nfs/dbraw/zinc/39/85/61/433398561.db2.gz AKOKTAHAZQCNEQ-KDURUIRLSA-N 2 2 310.416 3.486 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000351200278 433409647 /nfs/dbraw/zinc/40/96/47/433409647.db2.gz JEQYLXYEFIBFRH-CJNGLKHVSA-N 2 2 307.825 3.292 20 0 DGADLP CCc1nocc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000339180683 433421700 /nfs/dbraw/zinc/42/17/00/433421700.db2.gz DIDQTNHZMJPLSM-UHFFFAOYSA-N 2 2 313.445 3.034 20 0 DGADLP CSCc1cnc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000339208576 433439364 /nfs/dbraw/zinc/43/93/64/433439364.db2.gz AKKVTEHVWMFMOH-UHFFFAOYSA-N 2 2 311.520 3.113 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000301233185 433462144 /nfs/dbraw/zinc/46/21/44/433462144.db2.gz IVKQOPWOBQYHEB-CQSZACIVSA-N 2 2 302.447 3.171 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000301233185 433462151 /nfs/dbraw/zinc/46/21/51/433462151.db2.gz IVKQOPWOBQYHEB-CQSZACIVSA-N 2 2 302.447 3.171 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078767 433451375 /nfs/dbraw/zinc/45/13/75/433451375.db2.gz FLIZVVPXJVDAQO-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078767 433451387 /nfs/dbraw/zinc/45/13/87/433451387.db2.gz FLIZVVPXJVDAQO-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078767 433451394 /nfs/dbraw/zinc/45/13/94/433451394.db2.gz FLIZVVPXJVDAQO-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)C1 ZINC000292078767 433451401 /nfs/dbraw/zinc/45/14/01/433451401.db2.gz FLIZVVPXJVDAQO-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]3C3CC3)CC2)c1 ZINC000414192698 433453187 /nfs/dbraw/zinc/45/31/87/433453187.db2.gz MEOAFBCWZXWARO-UYAOXDASSA-N 2 2 313.489 3.462 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@H]3C3CC3)CC2)nc1 ZINC000414201123 433458962 /nfs/dbraw/zinc/45/89/62/433458962.db2.gz SNAPTFCXSRBEGY-XLIONFOSSA-N 2 2 313.489 3.462 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000361943767 433462810 /nfs/dbraw/zinc/46/28/10/433462810.db2.gz LHSTZEOKQMMVRJ-ZDUSSCGKSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000361943767 433462819 /nfs/dbraw/zinc/46/28/19/433462819.db2.gz LHSTZEOKQMMVRJ-ZDUSSCGKSA-N 2 2 320.234 3.172 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000414208725 433463505 /nfs/dbraw/zinc/46/35/05/433463505.db2.gz MGEXRIBYJHEFGQ-QAPCUYQASA-N 2 2 304.482 3.036 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2s1 ZINC000426360900 433471251 /nfs/dbraw/zinc/47/12/51/433471251.db2.gz HFCKSPAGYLLVDW-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2s1 ZINC000426360900 433471257 /nfs/dbraw/zinc/47/12/57/433471257.db2.gz HFCKSPAGYLLVDW-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2s1 ZINC000426360900 433471265 /nfs/dbraw/zinc/47/12/65/433471265.db2.gz HFCKSPAGYLLVDW-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2s1 ZINC000426360900 433471276 /nfs/dbraw/zinc/47/12/76/433471276.db2.gz HFCKSPAGYLLVDW-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450397053 290183196 /nfs/dbraw/zinc/18/31/96/290183196.db2.gz UKVYIGPQRGGBBQ-CZUORRHYSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450397053 290183201 /nfs/dbraw/zinc/18/32/01/290183201.db2.gz UKVYIGPQRGGBBQ-CZUORRHYSA-N 2 2 321.428 3.032 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292117848 433468661 /nfs/dbraw/zinc/46/86/61/433468661.db2.gz JTBNOXOTPLBISN-QGZVFWFLSA-N 2 2 310.388 3.124 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292117848 433468670 /nfs/dbraw/zinc/46/86/70/433468670.db2.gz JTBNOXOTPLBISN-QGZVFWFLSA-N 2 2 310.388 3.124 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292117848 433468677 /nfs/dbraw/zinc/46/86/77/433468677.db2.gz JTBNOXOTPLBISN-QGZVFWFLSA-N 2 2 310.388 3.124 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292117848 433468688 /nfs/dbraw/zinc/46/86/88/433468688.db2.gz JTBNOXOTPLBISN-QGZVFWFLSA-N 2 2 310.388 3.124 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000282066514 433481984 /nfs/dbraw/zinc/48/19/84/433481984.db2.gz WKWISERJDWYWPI-ROUUACIJSA-N 2 2 308.441 3.367 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000282066514 433481993 /nfs/dbraw/zinc/48/19/93/433481993.db2.gz WKWISERJDWYWPI-ROUUACIJSA-N 2 2 308.441 3.367 20 0 DGADLP CC1(C)C[N@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000342121006 433482102 /nfs/dbraw/zinc/48/21/02/433482102.db2.gz QJUJPXCRCMDSJQ-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP CC1(C)C[N@@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000342121006 433482113 /nfs/dbraw/zinc/48/21/13/433482113.db2.gz QJUJPXCRCMDSJQ-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP Clc1ccc2[nH]c3c(c2c1)C[N@H+](CCCn1cc[nH+]c1)CC3 ZINC000361989081 433483523 /nfs/dbraw/zinc/48/35/23/433483523.db2.gz ZARLDTGSGNBXJS-UHFFFAOYSA-N 2 2 314.820 3.466 20 0 DGADLP Clc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCn1cc[nH+]c1)CC3 ZINC000361989081 433483526 /nfs/dbraw/zinc/48/35/26/433483526.db2.gz ZARLDTGSGNBXJS-UHFFFAOYSA-N 2 2 314.820 3.466 20 0 DGADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)C(C)C ZINC000414286063 433511870 /nfs/dbraw/zinc/51/18/70/433511870.db2.gz CEDMDRVFHUMPJF-JLSDUUJJSA-N 2 2 301.434 3.318 20 0 DGADLP CCOC(=O)[C@@H](CC)[N@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000355182336 433514820 /nfs/dbraw/zinc/51/48/20/433514820.db2.gz UQVUYMNJANRSPO-QGZVFWFLSA-N 2 2 304.434 3.129 20 0 DGADLP CCOC(=O)[C@@H](CC)[N@@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000355182336 433514825 /nfs/dbraw/zinc/51/48/25/433514825.db2.gz UQVUYMNJANRSPO-QGZVFWFLSA-N 2 2 304.434 3.129 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000414294929 433519148 /nfs/dbraw/zinc/51/91/48/433519148.db2.gz CKMVLZQPFQIKGG-SOLBZPMBSA-N 2 2 302.462 3.369 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000414294929 433519153 /nfs/dbraw/zinc/51/91/53/433519153.db2.gz CKMVLZQPFQIKGG-SOLBZPMBSA-N 2 2 302.462 3.369 20 0 DGADLP CCc1cc(NC[C@@H](c2ccccc2OC)[NH+](C)C)nc(C)[nH+]1 ZINC000301350566 433519580 /nfs/dbraw/zinc/51/95/80/433519580.db2.gz MPPSVBCSZAZVLX-INIZCTEOSA-N 2 2 314.433 3.071 20 0 DGADLP Cc1cc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301359095 433521237 /nfs/dbraw/zinc/52/12/37/433521237.db2.gz LOHQGWYULNZZIE-FUHWJXTLSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1cc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301359095 433521247 /nfs/dbraw/zinc/52/12/47/433521247.db2.gz LOHQGWYULNZZIE-FUHWJXTLSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc(C(C)C)[nH+]1 ZINC000339355924 433524924 /nfs/dbraw/zinc/52/49/24/433524924.db2.gz HROVYRQVQKXHCD-MRXNPFEDSA-N 2 2 302.466 3.077 20 0 DGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133749 433487823 /nfs/dbraw/zinc/48/78/23/433487823.db2.gz QSQCSGZLCVNAIM-MSOLQXFVSA-N 2 2 302.462 3.008 20 0 DGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133749 433487836 /nfs/dbraw/zinc/48/78/36/433487836.db2.gz QSQCSGZLCVNAIM-MSOLQXFVSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133749 433487842 /nfs/dbraw/zinc/48/78/42/433487842.db2.gz QSQCSGZLCVNAIM-MSOLQXFVSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000342133749 433487850 /nfs/dbraw/zinc/48/78/50/433487850.db2.gz QSQCSGZLCVNAIM-MSOLQXFVSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]Cc2ccc(C3CCC3)cc2)CCSC1 ZINC000339292156 433501363 /nfs/dbraw/zinc/50/13/63/433501363.db2.gz WVDTXXYKIYPDAG-SFHVURJKSA-N 2 2 304.503 3.481 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CCSc2ccc(Cl)cc2)n1C ZINC000414271867 433503761 /nfs/dbraw/zinc/50/37/61/433503761.db2.gz XJUIXXJTZSRDHI-UHFFFAOYSA-N 2 2 324.881 3.021 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339293147 433507584 /nfs/dbraw/zinc/50/75/84/433507584.db2.gz IRASFVXUFJAWJB-MSOLQXFVSA-N 2 2 313.445 3.228 20 0 DGADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522739 433551288 /nfs/dbraw/zinc/55/12/88/433551288.db2.gz ZKZWLEQNQBMZOL-CRAIPNDOSA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522739 433551300 /nfs/dbraw/zinc/55/13/00/433551300.db2.gz ZKZWLEQNQBMZOL-CRAIPNDOSA-N 2 2 324.896 3.424 20 0 DGADLP CC(C)[C@H](c1ccccc1Cl)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351522739 433551318 /nfs/dbraw/zinc/55/13/18/433551318.db2.gz ZKZWLEQNQBMZOL-CRAIPNDOSA-N 2 2 324.896 3.424 20 0 DGADLP Cc1cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000301451161 433561907 /nfs/dbraw/zinc/56/19/07/433561907.db2.gz QFCNAGHMYAIDAH-MRXNPFEDSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1cccc2[nH+]cc(CNc3[nH+]ccn3Cc3ccccc3)n21 ZINC000351550138 433569221 /nfs/dbraw/zinc/56/92/21/433569221.db2.gz ILSCLHPEUFDHQE-UHFFFAOYSA-N 2 2 317.396 3.500 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414368881 433577428 /nfs/dbraw/zinc/57/74/28/433577428.db2.gz SZEQMWBCOHBPCZ-LPHOPBHVSA-N 2 2 324.472 3.039 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414368881 433577434 /nfs/dbraw/zinc/57/74/34/433577434.db2.gz SZEQMWBCOHBPCZ-LPHOPBHVSA-N 2 2 324.472 3.039 20 0 DGADLP FC1(F)Oc2cccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000414373843 433580995 /nfs/dbraw/zinc/58/09/95/433580995.db2.gz SVWMIIPYNOZEKZ-GFCCVEGCSA-N 2 2 321.327 3.111 20 0 DGADLP FC1(F)Oc2cccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000414373843 433581004 /nfs/dbraw/zinc/58/10/04/433581004.db2.gz SVWMIIPYNOZEKZ-GFCCVEGCSA-N 2 2 321.327 3.111 20 0 DGADLP c1cn(Cc2ccc(NCc3ccc4occc4c3)[nH+]c2)c[nH+]1 ZINC000351570418 433587497 /nfs/dbraw/zinc/58/74/97/433587497.db2.gz ZTNXWKQBRBJVKI-UHFFFAOYSA-N 2 2 304.353 3.685 20 0 DGADLP CC[N@H+](CCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1)CC1CC1 ZINC000351577769 433592894 /nfs/dbraw/zinc/59/28/94/433592894.db2.gz FYCCLNWZPGMAHD-CQSZACIVSA-N 2 2 320.481 3.273 20 0 DGADLP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1)CC1CC1 ZINC000351577769 433592904 /nfs/dbraw/zinc/59/29/04/433592904.db2.gz FYCCLNWZPGMAHD-CQSZACIVSA-N 2 2 320.481 3.273 20 0 DGADLP Clc1cccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000362298532 433628758 /nfs/dbraw/zinc/62/87/58/433628758.db2.gz KSODUNZNPUNNDZ-KRWDZBQOSA-N 2 2 302.805 3.431 20 0 DGADLP Clc1cccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000362298532 433628765 /nfs/dbraw/zinc/62/87/65/433628765.db2.gz KSODUNZNPUNNDZ-KRWDZBQOSA-N 2 2 302.805 3.431 20 0 DGADLP CC(C)CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000362310698 433634993 /nfs/dbraw/zinc/63/49/93/433634993.db2.gz VCJSSJPZADWORK-WMZOPIPTSA-N 2 2 321.534 3.271 20 0 DGADLP CC(C)CSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000362310698 433635006 /nfs/dbraw/zinc/63/50/06/433635006.db2.gz VCJSSJPZADWORK-WMZOPIPTSA-N 2 2 321.534 3.271 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354382 433636289 /nfs/dbraw/zinc/63/62/89/433636289.db2.gz GZLUMOVXDCSUJD-CQSZACIVSA-N 2 2 317.408 3.131 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354382 433636294 /nfs/dbraw/zinc/63/62/94/433636294.db2.gz GZLUMOVXDCSUJD-CQSZACIVSA-N 2 2 317.408 3.131 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354382 433636303 /nfs/dbraw/zinc/63/63/03/433636303.db2.gz GZLUMOVXDCSUJD-CQSZACIVSA-N 2 2 317.408 3.131 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000342354382 433636307 /nfs/dbraw/zinc/63/63/07/433636307.db2.gz GZLUMOVXDCSUJD-CQSZACIVSA-N 2 2 317.408 3.131 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308623 433636731 /nfs/dbraw/zinc/63/67/31/433636731.db2.gz GIEHXTSZRWCBHS-YMPIPDKKSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308623 433636734 /nfs/dbraw/zinc/63/67/34/433636734.db2.gz GIEHXTSZRWCBHS-YMPIPDKKSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453233 433596351 /nfs/dbraw/zinc/59/63/51/433596351.db2.gz FPHROEKKDOFAKU-VKJFTORMSA-N 2 2 311.429 3.101 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000339453233 433596362 /nfs/dbraw/zinc/59/63/62/433596362.db2.gz FPHROEKKDOFAKU-VKJFTORMSA-N 2 2 311.429 3.101 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000275833766 292886537 /nfs/dbraw/zinc/88/65/37/292886537.db2.gz ONQAJQVDLHYFRD-MGPQQGTHSA-N 2 2 312.417 3.277 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(O)CCCC2(C)C)n1-c1ccccc1 ZINC000339470945 433604524 /nfs/dbraw/zinc/60/45/24/433604524.db2.gz QORSALHSZYZETB-LJQANCHMSA-N 2 2 313.445 3.212 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cs1 ZINC000427118119 433655870 /nfs/dbraw/zinc/65/58/70/433655870.db2.gz SWWUHBXGEXIFSN-RISCZKNCSA-N 2 2 305.472 3.055 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cs1 ZINC000427118119 433655881 /nfs/dbraw/zinc/65/58/81/433655881.db2.gz SWWUHBXGEXIFSN-RISCZKNCSA-N 2 2 305.472 3.055 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427107084 433656860 /nfs/dbraw/zinc/65/68/60/433656860.db2.gz INKJYQAWJUVSNC-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427107084 433656873 /nfs/dbraw/zinc/65/68/73/433656873.db2.gz INKJYQAWJUVSNC-IAGOWNOFSA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427124554 433657234 /nfs/dbraw/zinc/65/72/34/433657234.db2.gz STGINCOCUQMIDU-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427124554 433657247 /nfs/dbraw/zinc/65/72/47/433657247.db2.gz STGINCOCUQMIDU-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)c1 ZINC000427138194 433660351 /nfs/dbraw/zinc/66/03/51/433660351.db2.gz VUGFLPBHMQZWAG-AAEUAGOBSA-N 2 2 305.472 3.055 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)s2)c1 ZINC000427138194 433660359 /nfs/dbraw/zinc/66/03/59/433660359.db2.gz VUGFLPBHMQZWAG-AAEUAGOBSA-N 2 2 305.472 3.055 20 0 DGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000414495595 433663062 /nfs/dbraw/zinc/66/30/62/433663062.db2.gz NVMVPOKGFONNBG-MJGOQNOKSA-N 2 2 307.397 3.045 20 0 DGADLP C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CCC[NH+](C)C1 ZINC000351685911 433663677 /nfs/dbraw/zinc/66/36/77/433663677.db2.gz HTZHHRLVWCJKGP-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP C[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CCC[NH+](C)C1 ZINC000351685911 433663683 /nfs/dbraw/zinc/66/36/83/433663683.db2.gz HTZHHRLVWCJKGP-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000351685911 433663688 /nfs/dbraw/zinc/66/36/88/433663688.db2.gz HTZHHRLVWCJKGP-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351685911 433663691 /nfs/dbraw/zinc/66/36/91/433663691.db2.gz HTZHHRLVWCJKGP-HNNXBMFYSA-N 2 2 305.466 3.033 20 0 DGADLP CC[C@@H](Nc1cccc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301672263 433669743 /nfs/dbraw/zinc/66/97/43/433669743.db2.gz QWONCXNCGABEAH-QZTJIDSGSA-N 2 2 311.429 3.173 20 0 DGADLP CC[C@@H](Nc1cccc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301672263 433669749 /nfs/dbraw/zinc/66/97/49/433669749.db2.gz QWONCXNCGABEAH-QZTJIDSGSA-N 2 2 311.429 3.173 20 0 DGADLP Cc1nc(NCCc2[nH+]c3ccc(F)cc3n2C)c(C)c(C)[nH+]1 ZINC000301683480 433675864 /nfs/dbraw/zinc/67/58/64/433675864.db2.gz KMDJUNHHQUNDET-UHFFFAOYSA-N 2 2 313.380 3.082 20 0 DGADLP C[N@@H+](Cc1ccncc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449024732 433680216 /nfs/dbraw/zinc/68/02/16/433680216.db2.gz DILVNLPZVUXVTD-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccncc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449024732 433680221 /nfs/dbraw/zinc/68/02/21/433680221.db2.gz DILVNLPZVUXVTD-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccncc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449024732 433680231 /nfs/dbraw/zinc/68/02/31/433680231.db2.gz DILVNLPZVUXVTD-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccncc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449024732 433680242 /nfs/dbraw/zinc/68/02/42/433680242.db2.gz DILVNLPZVUXVTD-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP CCc1nocc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000339606192 433681006 /nfs/dbraw/zinc/68/10/06/433681006.db2.gz AFERXPILIFDKFI-UHFFFAOYSA-N 2 2 310.401 3.363 20 0 DGADLP Cc1cccc(N2CC[NH+](Cc3ccccc3Cl)CC2)[nH+]1 ZINC000301698072 433680803 /nfs/dbraw/zinc/68/08/03/433680803.db2.gz OFDIVYNLVCAXEQ-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP CCc1nocc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000339606192 433681015 /nfs/dbraw/zinc/68/10/15/433681015.db2.gz AFERXPILIFDKFI-UHFFFAOYSA-N 2 2 310.401 3.363 20 0 DGADLP Cc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)c(C)c(C)[nH+]1 ZINC000301714722 433691929 /nfs/dbraw/zinc/69/19/29/433691929.db2.gz ZOCTZGGYIXCKNP-UHFFFAOYSA-N 2 2 311.433 3.399 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000366920527 293004390 /nfs/dbraw/zinc/00/43/90/293004390.db2.gz GLFWTHLNHVDWAN-AWEZNQCLSA-N 2 2 310.376 3.097 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000366920527 293004392 /nfs/dbraw/zinc/00/43/92/293004392.db2.gz GLFWTHLNHVDWAN-AWEZNQCLSA-N 2 2 310.376 3.097 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1cncc(F)c1)C1CC1)CCC2 ZINC000367085171 293023821 /nfs/dbraw/zinc/02/38/21/293023821.db2.gz DVVBGQLIZRWFTQ-YOEHRIQHSA-N 2 2 314.408 3.344 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000367304063 293051218 /nfs/dbraw/zinc/05/12/18/293051218.db2.gz ZKFUVRLFULEQRJ-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000367304063 293051219 /nfs/dbraw/zinc/05/12/19/293051219.db2.gz ZKFUVRLFULEQRJ-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437183 293072126 /nfs/dbraw/zinc/07/21/26/293072126.db2.gz IFSJZEAYDDMATB-SFHVURJKSA-N 2 2 311.429 3.395 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367438459 293072233 /nfs/dbraw/zinc/07/22/33/293072233.db2.gz NCSGLYIJHYGNRB-ZDUSSCGKSA-N 2 2 312.417 3.029 20 0 DGADLP COC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000367438491 293072505 /nfs/dbraw/zinc/07/25/05/293072505.db2.gz NHFYAXRIWZVIAW-MRXNPFEDSA-N 2 2 319.836 3.350 20 0 DGADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000367438665 293072702 /nfs/dbraw/zinc/07/27/02/293072702.db2.gz OODPFPCLAHUQIJ-NSHDSACASA-N 2 2 304.463 3.398 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000356788955 433696054 /nfs/dbraw/zinc/69/60/54/433696054.db2.gz WOJUQGFAZWJSPG-YTQUADARSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000356788955 433696062 /nfs/dbraw/zinc/69/60/62/433696062.db2.gz WOJUQGFAZWJSPG-YTQUADARSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000368452582 293123809 /nfs/dbraw/zinc/12/38/09/293123809.db2.gz CEYSDGRSMHJLKF-IBGZPJMESA-N 2 2 314.473 3.456 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000368452582 293123810 /nfs/dbraw/zinc/12/38/10/293123810.db2.gz CEYSDGRSMHJLKF-IBGZPJMESA-N 2 2 314.473 3.456 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000370165021 293159971 /nfs/dbraw/zinc/15/99/71/293159971.db2.gz ZBWNSOSWTSFHMR-UKRRQHHQSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000370165021 293159973 /nfs/dbraw/zinc/15/99/73/293159973.db2.gz ZBWNSOSWTSFHMR-UKRRQHHQSA-N 2 2 323.400 3.400 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000339660586 433708935 /nfs/dbraw/zinc/70/89/35/433708935.db2.gz ICCNDJYHRNGGDX-QGZVFWFLSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOCC1CC1 ZINC000339660586 433708950 /nfs/dbraw/zinc/70/89/50/433708950.db2.gz ICCNDJYHRNGGDX-QGZVFWFLSA-N 2 2 313.445 3.236 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373389813 293268549 /nfs/dbraw/zinc/26/85/49/293268549.db2.gz AIRRBHXEHZNQGG-GBESFXJTSA-N 2 2 309.542 3.161 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373389813 293268552 /nfs/dbraw/zinc/26/85/52/293268552.db2.gz AIRRBHXEHZNQGG-GBESFXJTSA-N 2 2 309.542 3.161 20 0 DGADLP Fc1ccccc1CO[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000373402465 293269954 /nfs/dbraw/zinc/26/99/54/293269954.db2.gz AZAQPVXEXLJEID-KRWDZBQOSA-N 2 2 317.408 3.094 20 0 DGADLP Fc1ccccc1CO[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000373402465 293269956 /nfs/dbraw/zinc/26/99/56/293269956.db2.gz AZAQPVXEXLJEID-KRWDZBQOSA-N 2 2 317.408 3.094 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050829 433712797 /nfs/dbraw/zinc/71/27/97/433712797.db2.gz VYKOKNYORXHPCR-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050829 433712805 /nfs/dbraw/zinc/71/28/05/433712805.db2.gz VYKOKNYORXHPCR-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000449050829 433712814 /nfs/dbraw/zinc/71/28/14/433712814.db2.gz VYKOKNYORXHPCR-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000449050829 433712819 /nfs/dbraw/zinc/71/28/19/433712819.db2.gz VYKOKNYORXHPCR-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000374269141 293374648 /nfs/dbraw/zinc/37/46/48/293374648.db2.gz NFVLIPSJIAAVHI-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000374269141 293374653 /nfs/dbraw/zinc/37/46/53/293374653.db2.gz NFVLIPSJIAAVHI-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000374269141 293374655 /nfs/dbraw/zinc/37/46/55/293374655.db2.gz NFVLIPSJIAAVHI-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000374269141 293374657 /nfs/dbraw/zinc/37/46/57/293374657.db2.gz NFVLIPSJIAAVHI-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP COc1cccc2c(N3CC[C@H](c4[nH+]ccn4C)C3)cc(C)[nH+]c12 ZINC000374348298 293387728 /nfs/dbraw/zinc/38/77/28/293387728.db2.gz FQODGOUUCFEWMN-AWEZNQCLSA-N 2 2 322.412 3.279 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000342475445 433718291 /nfs/dbraw/zinc/71/82/91/433718291.db2.gz BIMPMJFJTKLYGO-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000342475445 433718298 /nfs/dbraw/zinc/71/82/98/433718298.db2.gz BIMPMJFJTKLYGO-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000342475445 433718304 /nfs/dbraw/zinc/71/83/04/433718304.db2.gz BIMPMJFJTKLYGO-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000342475445 433718313 /nfs/dbraw/zinc/71/83/13/433718313.db2.gz BIMPMJFJTKLYGO-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP Fc1ccccc1-c1ncc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000449061473 433720473 /nfs/dbraw/zinc/72/04/73/433720473.db2.gz GGKFEMFXGIDEJE-UHFFFAOYSA-N 2 2 316.405 3.326 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356852276 433730986 /nfs/dbraw/zinc/73/09/86/433730986.db2.gz RHWPZFPLBHBQGJ-VQIMIIECSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356852276 433730995 /nfs/dbraw/zinc/73/09/95/433730995.db2.gz RHWPZFPLBHBQGJ-VQIMIIECSA-N 2 2 316.489 3.228 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801678 433736770 /nfs/dbraw/zinc/73/67/70/433736770.db2.gz LKUOTHPZRQETPN-WOJBJXKFSA-N 2 2 321.468 3.193 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801678 433736780 /nfs/dbraw/zinc/73/67/80/433736780.db2.gz LKUOTHPZRQETPN-WOJBJXKFSA-N 2 2 321.468 3.193 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449401870 433743091 /nfs/dbraw/zinc/74/30/91/433743091.db2.gz IXTASUKNEVOQEO-OXQOHEQNSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)ccn1 ZINC000449401870 433743103 /nfs/dbraw/zinc/74/31/03/433743103.db2.gz IXTASUKNEVOQEO-OXQOHEQNSA-N 2 2 309.457 3.390 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000356875538 433744103 /nfs/dbraw/zinc/74/41/03/433744103.db2.gz QZXFYEDIUCFCKP-BQFCYCMXSA-N 2 2 317.477 3.012 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1[nH+]c2ccccc2n1C)c1ccco1 ZINC000342703266 433748407 /nfs/dbraw/zinc/74/84/07/433748407.db2.gz HQUZHCNLJGAOIG-INIZCTEOSA-N 2 2 312.417 3.661 20 0 DGADLP Cc1ccc([C@H](CNc2[nH+]c3ccccc3n2C)[NH+]2CCCC2)o1 ZINC000342704785 433749474 /nfs/dbraw/zinc/74/94/74/433749474.db2.gz OASUCWXSKCPQKD-KRWDZBQOSA-N 2 2 324.428 3.724 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccn2)cc1 ZINC000427860480 433749646 /nfs/dbraw/zinc/74/96/46/433749646.db2.gz AHFQBKUSIUBBMZ-VQIMIIECSA-N 2 2 322.387 3.111 20 0 DGADLP CC[NH+](CC)CCN(Cc1[nH+]cc(C)n1C)Cc1ccccc1 ZINC000342805268 433760706 /nfs/dbraw/zinc/76/07/06/433760706.db2.gz FDWTYLDODZYZGN-UHFFFAOYSA-N 2 2 314.477 3.073 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)c(F)c1 ZINC000421840638 433761046 /nfs/dbraw/zinc/76/10/46/433761046.db2.gz HFMCLPGNYNWKLA-ZUSMLRIVSA-N 2 2 318.436 3.358 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)c(F)c1 ZINC000421840638 433761055 /nfs/dbraw/zinc/76/10/55/433761055.db2.gz HFMCLPGNYNWKLA-ZUSMLRIVSA-N 2 2 318.436 3.358 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@H+](C)Cc1ccccc1 ZINC000421837871 433761601 /nfs/dbraw/zinc/76/16/01/433761601.db2.gz UEZLPMKDZMIQCY-YLJYHZDGSA-N 2 2 323.484 3.439 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421837871 433761611 /nfs/dbraw/zinc/76/16/11/433761611.db2.gz UEZLPMKDZMIQCY-YLJYHZDGSA-N 2 2 323.484 3.439 20 0 DGADLP Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877457 433768759 /nfs/dbraw/zinc/76/87/59/433768759.db2.gz PMWXDGFXZOYFRO-JXFKEZNVSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877457 433768769 /nfs/dbraw/zinc/76/87/69/433768769.db2.gz PMWXDGFXZOYFRO-JXFKEZNVSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877457 433768772 /nfs/dbraw/zinc/76/87/72/433768772.db2.gz PMWXDGFXZOYFRO-JXFKEZNVSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000351877457 433768782 /nfs/dbraw/zinc/76/87/82/433768782.db2.gz PMWXDGFXZOYFRO-JXFKEZNVSA-N 2 2 324.472 3.270 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414652015 433769736 /nfs/dbraw/zinc/76/97/36/433769736.db2.gz CUWIEXQWAPNCQU-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414652015 433769744 /nfs/dbraw/zinc/76/97/44/433769744.db2.gz CUWIEXQWAPNCQU-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000301881625 433773844 /nfs/dbraw/zinc/77/38/44/433773844.db2.gz MEUVOZABWGZKSH-LBPRGKRZSA-N 2 2 312.442 3.483 20 0 DGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000301881625 433773857 /nfs/dbraw/zinc/77/38/57/433773857.db2.gz MEUVOZABWGZKSH-LBPRGKRZSA-N 2 2 312.442 3.483 20 0 DGADLP Cc1cc(Br)c(C[N@@H+](C)CC(C)(C)C[NH3+])s1 ZINC000414656495 433773908 /nfs/dbraw/zinc/77/39/08/433773908.db2.gz FWUNZAONZVXXHZ-UHFFFAOYSA-N 2 2 305.285 3.236 20 0 DGADLP Cc1cc(Br)c(C[N@H+](C)CC(C)(C)C[NH3+])s1 ZINC000414656495 433773918 /nfs/dbraw/zinc/77/39/18/433773918.db2.gz FWUNZAONZVXXHZ-UHFFFAOYSA-N 2 2 305.285 3.236 20 0 DGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000301881624 433775529 /nfs/dbraw/zinc/77/55/29/433775529.db2.gz MEUVOZABWGZKSH-GFCCVEGCSA-N 2 2 312.442 3.483 20 0 DGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000301881624 433775540 /nfs/dbraw/zinc/77/55/40/433775540.db2.gz MEUVOZABWGZKSH-GFCCVEGCSA-N 2 2 312.442 3.483 20 0 DGADLP CCCc1[nH+]ccn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283779745 433776104 /nfs/dbraw/zinc/77/61/04/433776104.db2.gz DDFDSHNRGCRCQX-GOSISDBHSA-N 2 2 313.445 3.127 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000339797873 433791739 /nfs/dbraw/zinc/79/17/39/433791739.db2.gz ZNPNEFUQURKSJJ-OAHLLOKOSA-N 2 2 310.869 3.157 20 0 DGADLP Cc1[nH+]cc(CNCC[N@@H+]2CCCC2(C)C)n1-c1ccccc1 ZINC000449782035 433794221 /nfs/dbraw/zinc/79/42/21/433794221.db2.gz KCLJGUXTUUVQMT-UHFFFAOYSA-N 2 2 312.461 3.145 20 0 DGADLP Cc1[nH+]cc(CNCC[N@H+]2CCCC2(C)C)n1-c1ccccc1 ZINC000449782035 433794227 /nfs/dbraw/zinc/79/42/27/433794227.db2.gz KCLJGUXTUUVQMT-UHFFFAOYSA-N 2 2 312.461 3.145 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H](C[NH3+])C1 ZINC000414769926 433824981 /nfs/dbraw/zinc/82/49/81/433824981.db2.gz OFZMFPWSZSNVAI-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H](C[NH3+])C1 ZINC000414769926 433824988 /nfs/dbraw/zinc/82/49/88/433824988.db2.gz OFZMFPWSZSNVAI-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@@H]1C ZINC000351943038 433809563 /nfs/dbraw/zinc/80/95/63/433809563.db2.gz JTUYFLRVJUJASR-DZGCQCFKSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@@H]1C ZINC000351943038 433809576 /nfs/dbraw/zinc/80/95/76/433809576.db2.gz JTUYFLRVJUJASR-DZGCQCFKSA-N 2 2 304.438 3.035 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414773123 433822823 /nfs/dbraw/zinc/82/28/23/433822823.db2.gz WGXLSOWBMHXQTM-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414773123 433822831 /nfs/dbraw/zinc/82/28/31/433822831.db2.gz WGXLSOWBMHXQTM-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000293793961 433873123 /nfs/dbraw/zinc/87/31/23/433873123.db2.gz MRRNKUQQDMUWHE-LSDHHAIUSA-N 2 2 311.385 3.069 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc2ccccc2o1 ZINC000293793961 433873132 /nfs/dbraw/zinc/87/31/32/433873132.db2.gz MRRNKUQQDMUWHE-LSDHHAIUSA-N 2 2 311.385 3.069 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414841480 433875699 /nfs/dbraw/zinc/87/56/99/433875699.db2.gz NFHFVOSMRRBWHZ-SFHVURJKSA-N 2 2 313.445 3.220 20 0 DGADLP Clc1sc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Br ZINC000414847558 433876151 /nfs/dbraw/zinc/87/61/51/433876151.db2.gz OYFJSWLTNDIRGQ-ZETCQYMHSA-N 2 2 309.660 3.006 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000339867583 433835515 /nfs/dbraw/zinc/83/55/15/433835515.db2.gz SOAGIIMJQZBUEK-GOSISDBHSA-N 2 2 317.477 3.034 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000339867583 433835523 /nfs/dbraw/zinc/83/55/23/433835523.db2.gz SOAGIIMJQZBUEK-GOSISDBHSA-N 2 2 317.477 3.034 20 0 DGADLP CC[N@H+](C[C@H](O)C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000284107321 433836409 /nfs/dbraw/zinc/83/64/09/433836409.db2.gz SUNHMNFENPEMPZ-KRWDZBQOSA-N 2 2 319.493 3.027 20 0 DGADLP CC[N@@H+](C[C@H](O)C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000284107321 433836419 /nfs/dbraw/zinc/83/64/19/433836419.db2.gz SUNHMNFENPEMPZ-KRWDZBQOSA-N 2 2 319.493 3.027 20 0 DGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797704 433846060 /nfs/dbraw/zinc/84/60/60/433846060.db2.gz BKLDBFJFPMKSDN-QGZVFWFLSA-N 2 2 323.525 3.070 20 0 DGADLP C[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000293732294 433847852 /nfs/dbraw/zinc/84/78/52/433847852.db2.gz QBTSENGULPBVPF-UXHICEINSA-N 2 2 310.441 3.145 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000414808649 433854335 /nfs/dbraw/zinc/85/43/35/433854335.db2.gz FOQAGMVHDKCMKT-ZDUSSCGKSA-N 2 2 312.479 3.033 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000414810871 433854429 /nfs/dbraw/zinc/85/44/29/433854429.db2.gz OWWQBYZPZAEVLO-IPMKNSEASA-N 3 2 315.505 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414810871 433854441 /nfs/dbraw/zinc/85/44/41/433854441.db2.gz OWWQBYZPZAEVLO-IPMKNSEASA-N 3 2 315.505 3.004 20 0 DGADLP CC[NH+](CC)Cc1cccc(CNc2nc[nH+]c(N)c2Cl)c1 ZINC000302772468 433858097 /nfs/dbraw/zinc/85/80/97/433858097.db2.gz CSJAALKKBQCFDU-UHFFFAOYSA-N 2 2 319.840 3.166 20 0 DGADLP CC[NH+](CC)Cc1cccc(CNc2[nH+]cnc(N)c2Cl)c1 ZINC000302772468 433858109 /nfs/dbraw/zinc/85/81/09/433858109.db2.gz CSJAALKKBQCFDU-UHFFFAOYSA-N 2 2 319.840 3.166 20 0 DGADLP c1nc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335032 433859016 /nfs/dbraw/zinc/85/90/16/433859016.db2.gz FCFRFFHBWPTHOW-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335032 433859023 /nfs/dbraw/zinc/85/90/23/433859023.db2.gz FCFRFFHBWPTHOW-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335032 433859030 /nfs/dbraw/zinc/85/90/30/433859030.db2.gz FCFRFFHBWPTHOW-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1nc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377335032 433859036 /nfs/dbraw/zinc/85/90/36/433859036.db2.gz FCFRFFHBWPTHOW-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000414816729 433859691 /nfs/dbraw/zinc/85/96/91/433859691.db2.gz QHWZDDMYJHRAMQ-LBPRGKRZSA-N 2 2 303.219 3.195 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000414816196 433860343 /nfs/dbraw/zinc/86/03/43/433860343.db2.gz ZLOTWLFKPLMFQZ-UHFFFAOYSA-N 2 2 320.868 3.441 20 0 DGADLP C[NH2+]CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000414823608 433861059 /nfs/dbraw/zinc/86/10/59/433861059.db2.gz IMDYGVWAWRUOSR-UHFFFAOYSA-N 2 2 322.811 3.367 20 0 DGADLP COc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1OC(F)F ZINC000414826615 433862144 /nfs/dbraw/zinc/86/21/44/433862144.db2.gz FVBRKEBRAULJRQ-AWEZNQCLSA-N 2 2 322.355 3.086 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018849 433863874 /nfs/dbraw/zinc/86/38/74/433863874.db2.gz BOCGBNSRSZNYLP-UHFFFAOYSA-N 2 2 303.356 3.259 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018849 433863882 /nfs/dbraw/zinc/86/38/82/433863882.db2.gz BOCGBNSRSZNYLP-UHFFFAOYSA-N 2 2 303.356 3.259 20 0 DGADLP COC(=O)C1CCC([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414825498 433864110 /nfs/dbraw/zinc/86/41/10/433864110.db2.gz CIIHXGBQZYGESC-ABHNRTSZSA-N 2 2 318.461 3.131 20 0 DGADLP COc1ccc(C(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000352016083 433864472 /nfs/dbraw/zinc/86/44/72/433864472.db2.gz UXJMWDFHSYKKIE-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP COc1ccc(C(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000352016083 433864478 /nfs/dbraw/zinc/86/44/78/433864478.db2.gz UXJMWDFHSYKKIE-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP COc1ccc(C(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000352016083 433864487 /nfs/dbraw/zinc/86/44/87/433864487.db2.gz UXJMWDFHSYKKIE-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP COc1ccc(C(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000352016083 433864494 /nfs/dbraw/zinc/86/44/94/433864494.db2.gz UXJMWDFHSYKKIE-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP Cc1csc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC000362806029 433865611 /nfs/dbraw/zinc/86/56/11/433865611.db2.gz MVWKBDRLFMHLRU-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1csc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC000362806029 433865621 /nfs/dbraw/zinc/86/56/21/433865621.db2.gz MVWKBDRLFMHLRU-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)C1CCCCC1 ZINC000414832006 433865674 /nfs/dbraw/zinc/86/56/74/433865674.db2.gz CVLHYWSKKBSXOQ-MRXNPFEDSA-N 2 2 316.474 3.202 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414832271 433866833 /nfs/dbraw/zinc/86/68/33/433866833.db2.gz OHPRLTVWQYPQEZ-MOPGFXCFSA-N 2 2 316.420 3.063 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414832267 433867118 /nfs/dbraw/zinc/86/71/18/433867118.db2.gz OHAHCDZFQZHSLB-RDJZCZTQSA-N 2 2 311.429 3.002 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000414831519 433869056 /nfs/dbraw/zinc/86/90/56/433869056.db2.gz CIKPGTPZNBGZEO-UXPWSPDFSA-N 2 2 315.505 3.319 20 0 DGADLP c1ccc2nc(N3CCCCC3)c(C[NH2+][C@H]3CCC[NH2+]C3)cc2c1 ZINC000414867077 433896074 /nfs/dbraw/zinc/89/60/74/433896074.db2.gz NZLRDJDYGSQTMV-SFHVURJKSA-N 2 2 324.472 3.067 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3c4ccc(F)cc4O[C@H]3C)n2c1 ZINC000377394706 293653849 /nfs/dbraw/zinc/65/38/49/293653849.db2.gz ABFSNQIWNDFMRL-SGTLLEGYSA-N 2 2 311.360 3.394 20 0 DGADLP Fc1cc(F)cc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]C3)cc2)c1 ZINC000414882868 433899669 /nfs/dbraw/zinc/89/96/69/433899669.db2.gz MYUPUVLGGQBIPI-OAHLLOKOSA-N 2 2 304.340 3.209 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000293862609 433901032 /nfs/dbraw/zinc/90/10/32/433901032.db2.gz DLGHOYQMMBYGSR-YJBOKZPZSA-N 2 2 310.445 3.143 20 0 DGADLP C[C@@]1(C[NH2+]Cc2csc(-c3cccs3)n2)CCC[NH2+]C1 ZINC000414913373 433913929 /nfs/dbraw/zinc/91/39/29/433913929.db2.gz WPOMLRUSBTWGAB-OAHLLOKOSA-N 2 2 307.488 3.351 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccc(F)cc2Br)CCC[NH2+]C1 ZINC000414913830 433914059 /nfs/dbraw/zinc/91/40/59/433914059.db2.gz WZYYXJJMTWIHNP-AWEZNQCLSA-N 2 2 315.230 3.068 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(c2cc[nH+]c(C)c2)C3)cc1 ZINC000362948460 433920357 /nfs/dbraw/zinc/92/03/57/433920357.db2.gz IFCZBZXTCQZYKF-UHFFFAOYSA-N 2 2 304.397 3.447 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414926766 433921391 /nfs/dbraw/zinc/92/13/91/433921391.db2.gz KTUSKXLUQRHEPU-OAHLLOKOSA-N 2 2 316.474 3.073 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000414923706 433922800 /nfs/dbraw/zinc/92/28/00/433922800.db2.gz FPOUJCLGYBODQT-MRXNPFEDSA-N 2 2 316.424 3.084 20 0 DGADLP COc1ccc2c(c1)OCC[C@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000377660520 293692482 /nfs/dbraw/zinc/69/24/82/293692482.db2.gz XMDBZKGBABISCU-GOSISDBHSA-N 2 2 312.413 3.445 20 0 DGADLP Fc1cccc2[nH]c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000436271592 433925709 /nfs/dbraw/zinc/92/57/09/433925709.db2.gz FAASHUHAUWCJSL-UHFFFAOYSA-N 2 2 324.403 3.461 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000414938191 433927090 /nfs/dbraw/zinc/92/70/90/433927090.db2.gz DYNHNFKJGXRJTN-GOEBONIOSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccoc3)n2)C[C@@H]1C[NH3+] ZINC000422626230 433929043 /nfs/dbraw/zinc/92/90/43/433929043.db2.gz DLFZMRGCFYVQLJ-DYEKYZERSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@@H]1C[NH3+] ZINC000422626230 433929054 /nfs/dbraw/zinc/92/90/54/433929054.db2.gz DLFZMRGCFYVQLJ-DYEKYZERSA-N 2 2 305.447 3.208 20 0 DGADLP CC[N@H+](CCNc1cc(COC)[nH+]c2ccc(F)cc12)C(C)C ZINC000357265208 433929618 /nfs/dbraw/zinc/92/96/18/433929618.db2.gz SKHUSRKPNJFGBP-UHFFFAOYSA-N 2 2 319.424 3.084 20 0 DGADLP CC[N@@H+](CCNc1cc(COC)[nH+]c2ccc(F)cc12)C(C)C ZINC000357265208 433929627 /nfs/dbraw/zinc/92/96/27/433929627.db2.gz SKHUSRKPNJFGBP-UHFFFAOYSA-N 2 2 319.424 3.084 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293432 433931063 /nfs/dbraw/zinc/93/10/63/433931063.db2.gz MTPQLSBNSKBSRA-WBVHZDCISA-N 2 2 324.509 3.493 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293432 433931075 /nfs/dbraw/zinc/93/10/75/433931075.db2.gz MTPQLSBNSKBSRA-WBVHZDCISA-N 2 2 324.509 3.493 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2[nH+]1 ZINC000340120155 433932448 /nfs/dbraw/zinc/93/24/48/433932448.db2.gz HIYUBAUHKTXIOK-JSGCOSHPSA-N 2 2 314.433 3.219 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000436308447 433933337 /nfs/dbraw/zinc/93/33/37/433933337.db2.gz MQGOOTUYQANQBR-JCHJZTRSSA-N 2 2 308.510 3.433 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000436308447 433933343 /nfs/dbraw/zinc/93/33/43/433933343.db2.gz MQGOOTUYQANQBR-JCHJZTRSSA-N 2 2 308.510 3.433 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000414851028 433883712 /nfs/dbraw/zinc/88/37/12/433883712.db2.gz STOFUGXNZHVTOK-WJFTUGDTSA-N 2 2 314.473 3.357 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414859372 433886795 /nfs/dbraw/zinc/88/67/95/433886795.db2.gz ASKNAOLUFBEKTL-CYBMUJFWSA-N 2 2 306.356 3.283 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCSC1 ZINC000436298399 433934923 /nfs/dbraw/zinc/93/49/23/433934923.db2.gz ZLMGYGRPVAXRSD-OTWHNJEPSA-N 2 2 318.530 3.425 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)[nH]c2c1 ZINC000422704982 433942381 /nfs/dbraw/zinc/94/23/81/433942381.db2.gz QTMQFHBXGUQEPR-ARFHVFGLSA-N 3 2 312.461 3.006 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn2c1 ZINC000422718163 433944112 /nfs/dbraw/zinc/94/41/12/433944112.db2.gz PFSYYPBBNATNSP-IEBWSBKVSA-N 2 2 320.440 3.226 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)N1CCc2ccccc2C1 ZINC000422718171 433947601 /nfs/dbraw/zinc/94/76/01/433947601.db2.gz PGAZXEHAJPBRIM-IPHXSNPTSA-N 2 2 321.468 3.168 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000414975537 433948441 /nfs/dbraw/zinc/94/84/41/433948441.db2.gz OSKCSDXZLDSIMF-CQSZACIVSA-N 2 2 317.260 3.480 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340162122 433948495 /nfs/dbraw/zinc/94/84/95/433948495.db2.gz DULBOJIMXVPUKH-MOPGFXCFSA-N 3 2 303.494 3.143 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340162122 433948502 /nfs/dbraw/zinc/94/85/02/433948502.db2.gz DULBOJIMXVPUKH-MOPGFXCFSA-N 3 2 303.494 3.143 20 0 DGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]([NH3+])CC ZINC000414975762 433949881 /nfs/dbraw/zinc/94/98/81/433949881.db2.gz GZDPDHIEUILHPU-ZDUSSCGKSA-N 2 2 315.255 3.065 20 0 DGADLP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725256 433950634 /nfs/dbraw/zinc/95/06/34/433950634.db2.gz AZRLKGSLFXLVSA-WMLDXEAASA-N 2 2 318.461 3.247 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414974641 433950791 /nfs/dbraw/zinc/95/07/91/433950791.db2.gz NUABZSMQAAWCDQ-HNNXBMFYSA-N 2 2 301.459 3.288 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422719123 433950835 /nfs/dbraw/zinc/95/08/35/433950835.db2.gz QTGGHALQNFYFIG-GRDNDAEWSA-N 2 2 308.491 3.216 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000414973914 433950883 /nfs/dbraw/zinc/95/08/83/433950883.db2.gz NCMXHSKUXOWBER-LBPRGKRZSA-N 2 2 317.296 3.297 20 0 DGADLP Cc1[nH+]ccc(NCc2cn3cc(Cl)ccc3[nH+]2)c1Cl ZINC000357326530 433952285 /nfs/dbraw/zinc/95/22/85/433952285.db2.gz YXMZVSMZSQSDCQ-UHFFFAOYSA-N 2 2 307.184 3.379 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)[C@@H](C)C1 ZINC000436402212 433958747 /nfs/dbraw/zinc/95/87/47/433958747.db2.gz UQQZTBVLPJZNRB-GUYCJALGSA-N 2 2 319.880 3.304 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)[C@@H](C)C1 ZINC000436402212 433958759 /nfs/dbraw/zinc/95/87/59/433958759.db2.gz UQQZTBVLPJZNRB-GUYCJALGSA-N 2 2 319.880 3.304 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340173356 433959266 /nfs/dbraw/zinc/95/92/66/433959266.db2.gz GISRZIBWINQSLY-RTBURBONSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340173356 433959268 /nfs/dbraw/zinc/95/92/68/433959268.db2.gz GISRZIBWINQSLY-RTBURBONSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173356 433959273 /nfs/dbraw/zinc/95/92/73/433959273.db2.gz GISRZIBWINQSLY-RTBURBONSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173356 433959277 /nfs/dbraw/zinc/95/92/77/433959277.db2.gz GISRZIBWINQSLY-RTBURBONSA-N 3 2 303.494 3.142 20 0 DGADLP CCOC1CC2(C1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000285473768 433962610 /nfs/dbraw/zinc/96/26/10/433962610.db2.gz KWTYFURHWCKGMN-UHFFFAOYSA-N 2 2 311.429 3.263 20 0 DGADLP CCOC1CC2(C1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000285473768 433962619 /nfs/dbraw/zinc/96/26/19/433962619.db2.gz KWTYFURHWCKGMN-UHFFFAOYSA-N 2 2 311.429 3.263 20 0 DGADLP Cc1ccc(C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740192 433964158 /nfs/dbraw/zinc/96/41/58/433964158.db2.gz BAAZSOZKHLOMOF-HQRMLTQVSA-N 2 2 309.457 3.404 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422743668 433966428 /nfs/dbraw/zinc/96/64/28/433966428.db2.gz IWGQBIJMOHFTEQ-AHRSYUTCSA-N 3 2 315.505 3.332 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000436471026 433974794 /nfs/dbraw/zinc/97/47/94/433974794.db2.gz PEAMQKPGCUGSQP-CSODTCANSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000436471026 433974806 /nfs/dbraw/zinc/97/48/06/433974806.db2.gz PEAMQKPGCUGSQP-CSODTCANSA-N 2 2 316.489 3.036 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415052241 433975330 /nfs/dbraw/zinc/97/53/30/433975330.db2.gz MWMCJAAKMXKEBJ-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415052241 433975338 /nfs/dbraw/zinc/97/53/38/433975338.db2.gz MWMCJAAKMXKEBJ-AEFFLSMTSA-N 2 2 310.445 3.041 20 0 DGADLP COc1ccc([C@H]([NH2+]CCOC2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422754116 433979193 /nfs/dbraw/zinc/97/91/93/433979193.db2.gz DSYQDJCCVONOHR-MOPGFXCFSA-N 2 2 318.461 3.037 20 0 DGADLP C[N@H+](Cc1cc(Cl)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285521438 433979596 /nfs/dbraw/zinc/97/95/96/433979596.db2.gz OIUKWBHWZPCKOT-SJPCQFCGSA-N 2 2 320.864 3.332 20 0 DGADLP C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285521438 433979604 /nfs/dbraw/zinc/97/96/04/433979604.db2.gz OIUKWBHWZPCKOT-SJPCQFCGSA-N 2 2 320.864 3.332 20 0 DGADLP C[NH+](Cc1cc(Cl)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285521438 433979615 /nfs/dbraw/zinc/97/96/15/433979615.db2.gz OIUKWBHWZPCKOT-SJPCQFCGSA-N 2 2 320.864 3.332 20 0 DGADLP C[NH+](Cc1cc(Cl)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285521438 433979625 /nfs/dbraw/zinc/97/96/25/433979625.db2.gz OIUKWBHWZPCKOT-SJPCQFCGSA-N 2 2 320.864 3.332 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340207030 433982696 /nfs/dbraw/zinc/98/26/96/433982696.db2.gz SKKDEISPQTWYDT-JXFKEZNVSA-N 2 2 316.489 3.371 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340207030 433982710 /nfs/dbraw/zinc/98/27/10/433982710.db2.gz SKKDEISPQTWYDT-JXFKEZNVSA-N 2 2 316.489 3.371 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000377756459 433983443 /nfs/dbraw/zinc/98/34/43/433983443.db2.gz AWAWHUXQLPPEIL-GUDVDZBRSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000377756459 433983448 /nfs/dbraw/zinc/98/34/48/433983448.db2.gz AWAWHUXQLPPEIL-GUDVDZBRSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422774387 433988982 /nfs/dbraw/zinc/98/89/82/433988982.db2.gz WTOAFQWKIABURX-ZDUSSCGKSA-N 2 2 321.428 3.148 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422790972 434004722 /nfs/dbraw/zinc/00/47/22/434004722.db2.gz CNXVDOKFBYBHCQ-QWHCGFSZSA-N 2 2 302.340 3.335 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285597297 434007847 /nfs/dbraw/zinc/00/78/47/434007847.db2.gz VADGUILHIIWPFF-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285597297 434007857 /nfs/dbraw/zinc/00/78/57/434007857.db2.gz VADGUILHIIWPFF-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(Cl)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285597297 434007863 /nfs/dbraw/zinc/00/78/63/434007863.db2.gz VADGUILHIIWPFF-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(Cl)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285597297 434007872 /nfs/dbraw/zinc/00/78/72/434007872.db2.gz VADGUILHIIWPFF-XYPWUTKMSA-N 2 2 308.853 3.406 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnn(-c3ccccc3)c1)CCC2 ZINC000377831169 434009329 /nfs/dbraw/zinc/00/93/29/434009329.db2.gz KJJCIPVYZKUROH-KRWDZBQOSA-N 2 2 321.428 3.044 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1F ZINC000352257344 434010278 /nfs/dbraw/zinc/01/02/78/434010278.db2.gz SFQBSQMATMBRKD-JTQLQIEISA-N 2 2 311.401 3.334 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CCC2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340243878 434011419 /nfs/dbraw/zinc/01/14/19/434011419.db2.gz VGMITONWJYJVBM-XLIONFOSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CCC2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340243878 434011425 /nfs/dbraw/zinc/01/14/25/434011425.db2.gz VGMITONWJYJVBM-XLIONFOSSA-N 2 2 316.489 3.446 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802342 434015969 /nfs/dbraw/zinc/01/59/69/434015969.db2.gz BFGJDEMCZBKGNP-OFQRWUPVSA-N 2 2 306.450 3.274 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422803594 434017830 /nfs/dbraw/zinc/01/78/30/434017830.db2.gz JGXPAMQZJOUKHA-IUODEOHRSA-N 2 2 316.367 3.248 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363324642 434022597 /nfs/dbraw/zinc/02/25/97/434022597.db2.gz QSQNRUVNFGFNHE-IBGZPJMESA-N 2 2 311.429 3.163 20 0 DGADLP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363324642 434022607 /nfs/dbraw/zinc/02/26/07/434022607.db2.gz QSQNRUVNFGFNHE-IBGZPJMESA-N 2 2 311.429 3.163 20 0 DGADLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)on1 ZINC000363324642 434022616 /nfs/dbraw/zinc/02/26/16/434022616.db2.gz QSQNRUVNFGFNHE-IBGZPJMESA-N 2 2 311.429 3.163 20 0 DGADLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)on1 ZINC000363324642 434022626 /nfs/dbraw/zinc/02/26/26/434022626.db2.gz QSQNRUVNFGFNHE-IBGZPJMESA-N 2 2 311.429 3.163 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000422813050 434025645 /nfs/dbraw/zinc/02/56/45/434025645.db2.gz XIAZEKYANFVCTJ-COPLHBTASA-N 2 2 302.340 3.376 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422822870 434028274 /nfs/dbraw/zinc/02/82/74/434028274.db2.gz BRKSVKUOLQJGRQ-CVEARBPZSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422825582 434029162 /nfs/dbraw/zinc/02/91/62/434029162.db2.gz JSRMUPIRLASRIW-UVBJJODRSA-N 2 2 310.388 3.396 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000422823164 434031760 /nfs/dbraw/zinc/03/17/60/434031760.db2.gz LIURXWHGKKCEBX-LMMKCTJWSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000422823164 434031770 /nfs/dbraw/zinc/03/17/70/434031770.db2.gz LIURXWHGKKCEBX-LMMKCTJWSA-N 3 2 303.494 3.017 20 0 DGADLP FC(F)(F)c1cnc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)s1 ZINC000377921083 434036214 /nfs/dbraw/zinc/03/62/14/434036214.db2.gz VCEWYEMEHJSJQR-SECBINFHSA-N 2 2 316.352 3.026 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363217983 433998616 /nfs/dbraw/zinc/99/86/16/433998616.db2.gz DINYWKJKMRIKNF-JKSUJKDBSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363217983 433998633 /nfs/dbraw/zinc/99/86/33/433998633.db2.gz DINYWKJKMRIKNF-JKSUJKDBSA-N 2 2 321.896 3.113 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422787965 434000126 /nfs/dbraw/zinc/00/01/26/434000126.db2.gz MPRGODDMWZXTNU-OAHLLOKOSA-N 3 2 312.461 3.187 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422869324 434065447 /nfs/dbraw/zinc/06/54/47/434065447.db2.gz XIBZXFRQFAFNSY-KGLIPLIRSA-N 2 2 304.331 3.465 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)Nc1nc[nH+]c(N)c1Cl)[NH+](C)C ZINC000357537426 434066500 /nfs/dbraw/zinc/06/65/00/434066500.db2.gz SJTSUEOZBXWLJP-RISCZKNCSA-N 2 2 319.840 3.124 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)Nc1nc[nH+]c(N)c1Cl)[NH+](C)C ZINC000357537424 434067338 /nfs/dbraw/zinc/06/73/38/434067338.db2.gz SJTSUEOZBXWLJP-FZMZJTMJSA-N 2 2 319.840 3.124 20 0 DGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422872761 434073054 /nfs/dbraw/zinc/07/30/54/434073054.db2.gz INEZJLBRGJMVAV-XYJFISCASA-N 2 2 320.477 3.029 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422879657 434074659 /nfs/dbraw/zinc/07/46/59/434074659.db2.gz VVWDDGWVXXSTLV-IFIJOSMWSA-N 2 2 312.404 3.019 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422872220 293914159 /nfs/dbraw/zinc/91/41/59/293914159.db2.gz GENSZYCTZQEXBF-ZIAGYGMSSA-N 2 2 314.376 3.046 20 0 DGADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000422892190 434087764 /nfs/dbraw/zinc/08/77/64/434087764.db2.gz XRSBQEKZOCFKBI-AEFFLSMTSA-N 2 2 312.461 3.109 20 0 DGADLP C[C@@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)C1C[NH2+]C1 ZINC000422892003 434088981 /nfs/dbraw/zinc/08/89/81/434088981.db2.gz XHXDJPDYBSNUTK-PXAZEXFGSA-N 2 2 301.821 3.022 20 0 DGADLP COc1cccc2c1cc[nH+]c2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000450305769 434091461 /nfs/dbraw/zinc/09/14/61/434091461.db2.gz BKHPNKOZZPVZHU-CYBMUJFWSA-N 2 2 308.385 3.351 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422904981 434096089 /nfs/dbraw/zinc/09/60/89/434096089.db2.gz REOLKJYBSPEHHY-OAOYMFHYSA-N 2 2 318.461 3.036 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422851198 434051525 /nfs/dbraw/zinc/05/15/25/434051525.db2.gz WNXBAIXSWCSPTC-DYVFJYSZSA-N 2 2 315.392 3.243 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852774 434054524 /nfs/dbraw/zinc/05/45/24/434054524.db2.gz BHHAEZAHFQKGBN-SQGPQFPESA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]1 ZINC000422852774 434054535 /nfs/dbraw/zinc/05/45/35/434054535.db2.gz BHHAEZAHFQKGBN-SQGPQFPESA-N 3 2 315.505 3.291 20 0 DGADLP CC(C)Oc1ccc2[nH+]ccc(N[C@@H](C)Cn3cc[nH+]c3)c2c1 ZINC000450251675 434056340 /nfs/dbraw/zinc/05/63/40/434056340.db2.gz VLIUPXTVHMMXNW-AWEZNQCLSA-N 2 2 310.401 3.141 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000363448829 434056630 /nfs/dbraw/zinc/05/66/30/434056630.db2.gz HRQPPOQXWSYRMH-CYBMUJFWSA-N 2 2 307.344 3.011 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000363448829 434056638 /nfs/dbraw/zinc/05/66/38/434056638.db2.gz HRQPPOQXWSYRMH-CYBMUJFWSA-N 2 2 307.344 3.011 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852776 434058605 /nfs/dbraw/zinc/05/86/05/434058605.db2.gz BHHAEZAHFQKGBN-ZWOKBUDYSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852776 434058613 /nfs/dbraw/zinc/05/86/13/434058613.db2.gz BHHAEZAHFQKGBN-ZWOKBUDYSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)on1 ZINC000340389016 434102715 /nfs/dbraw/zinc/10/27/15/434102715.db2.gz BJHADNRWNZBGDF-VQIMIIECSA-N 2 2 313.445 3.168 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)on1 ZINC000340389016 434102724 /nfs/dbraw/zinc/10/27/24/434102724.db2.gz BJHADNRWNZBGDF-VQIMIIECSA-N 2 2 313.445 3.168 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccncc2)cs1 ZINC000422911183 434103518 /nfs/dbraw/zinc/10/35/18/434103518.db2.gz KDLMFBPPWTUJQJ-YXQSOJMXSA-N 2 2 314.458 3.139 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C(c1cccs1)c1cccs1 ZINC000422922377 434111679 /nfs/dbraw/zinc/11/16/79/434111679.db2.gz QDTQVCYFEHFISE-OLZOCXBDSA-N 2 2 322.499 3.256 20 0 DGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340409986 434116812 /nfs/dbraw/zinc/11/68/12/434116812.db2.gz XJASGJIYEXAQBS-MSOLQXFVSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340409986 434116819 /nfs/dbraw/zinc/11/68/19/434116819.db2.gz XJASGJIYEXAQBS-MSOLQXFVSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OC1CCCC1 ZINC000422936493 434122454 /nfs/dbraw/zinc/12/24/54/434122454.db2.gz IJEAJBISNRXVJS-YOEHRIQHSA-N 2 2 318.461 3.247 20 0 DGADLP C[C@@H]([NH2+]Cc1sccc1Br)c1c[nH+]ccc1N ZINC000422943860 434126298 /nfs/dbraw/zinc/12/62/98/434126298.db2.gz LCHHQYTYYOSMDD-MRVPVSSYSA-N 2 2 312.236 3.169 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000501379898 294139094 /nfs/dbraw/zinc/13/90/94/294139094.db2.gz ZQSNGYDVVSMAFR-PXNSSMCTSA-N 2 2 318.505 3.472 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501379898 294139095 /nfs/dbraw/zinc/13/90/95/294139095.db2.gz ZQSNGYDVVSMAFR-PXNSSMCTSA-N 2 2 318.505 3.472 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000502895100 294179391 /nfs/dbraw/zinc/17/93/91/294179391.db2.gz ZMPHRSUETDPTCX-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000502895100 294179392 /nfs/dbraw/zinc/17/93/92/294179392.db2.gz ZMPHRSUETDPTCX-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000506140802 294263133 /nfs/dbraw/zinc/26/31/33/294263133.db2.gz JDLUJKQZFLHAJS-KRWDZBQOSA-N 2 2 314.477 3.387 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000507395504 294297156 /nfs/dbraw/zinc/29/71/56/294297156.db2.gz AHYKTNGDPSCFKK-MOPGFXCFSA-N 2 2 315.505 3.367 20 0 DGADLP CC(C)[NH+](CCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000508992565 294337149 /nfs/dbraw/zinc/33/71/49/294337149.db2.gz VSOBUHPVUOTROD-UHFFFAOYSA-N 2 2 303.494 3.318 20 0 DGADLP COCCCC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509134253 294340687 /nfs/dbraw/zinc/34/06/87/294340687.db2.gz CWDOYSWEBGAYQN-IBGZPJMESA-N 2 2 318.505 3.476 20 0 DGADLP COCCCC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509134253 294340692 /nfs/dbraw/zinc/34/06/92/294340692.db2.gz CWDOYSWEBGAYQN-IBGZPJMESA-N 2 2 318.505 3.476 20 0 DGADLP COCC1(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000340442363 434131091 /nfs/dbraw/zinc/13/10/91/434131091.db2.gz ZBQJWQYXEPJWQH-LJQANCHMSA-N 2 2 316.489 3.447 20 0 DGADLP COCC1(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000340442363 434131098 /nfs/dbraw/zinc/13/10/98/434131098.db2.gz ZBQJWQYXEPJWQH-LJQANCHMSA-N 2 2 316.489 3.447 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000510548911 294386035 /nfs/dbraw/zinc/38/60/35/294386035.db2.gz BXNOCQQZDYIRRU-RTBURBONSA-N 2 2 307.441 3.316 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437275 434133848 /nfs/dbraw/zinc/13/38/48/434133848.db2.gz DSUCBAZARKPMHN-OALUTQOASA-N 2 2 304.478 3.393 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437275 434133861 /nfs/dbraw/zinc/13/38/61/434133861.db2.gz DSUCBAZARKPMHN-OALUTQOASA-N 2 2 304.478 3.393 20 0 DGADLP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340443614 434134417 /nfs/dbraw/zinc/13/44/17/434134417.db2.gz YNZXMYCAXXDFKQ-APWZRJJASA-N 2 2 313.445 3.471 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447720 434134714 /nfs/dbraw/zinc/13/47/14/434134714.db2.gz FBMHBTAVPSHGDX-RLFYNMQTSA-N 2 2 311.429 3.273 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447720 434134723 /nfs/dbraw/zinc/13/47/23/434134723.db2.gz FBMHBTAVPSHGDX-RLFYNMQTSA-N 2 2 311.429 3.273 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1C ZINC000314114755 434134701 /nfs/dbraw/zinc/13/47/01/434134701.db2.gz GJQGLZAJPHUBEH-UHFFFAOYSA-N 2 2 323.484 3.495 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422969999 434143259 /nfs/dbraw/zinc/14/32/59/434143259.db2.gz VOXPKHDYKSUBRF-PXNSSMCTSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000422968519 434143900 /nfs/dbraw/zinc/14/39/00/434143900.db2.gz RLSDTZXXCAELMO-AEFFLSMTSA-N 3 2 312.461 3.273 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(Oc3ccccn3)CC2)c[nH+]1 ZINC000353450818 434144024 /nfs/dbraw/zinc/14/40/24/434144024.db2.gz RAKUBLSVIDUDGE-UHFFFAOYSA-N 2 2 311.429 3.261 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@]1(C)CCCO1 ZINC000340470853 434147995 /nfs/dbraw/zinc/14/79/95/434147995.db2.gz RANZERKOISDMBM-DNVCBOLYSA-N 2 2 320.452 3.337 20 0 DGADLP Cc1[nH+]ccn1CCCN(C)c1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450395074 434148142 /nfs/dbraw/zinc/14/81/42/434148142.db2.gz UEVMZTXZEDEVNG-UHFFFAOYSA-N 2 2 320.400 3.143 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccncc1F ZINC000340466834 434148665 /nfs/dbraw/zinc/14/86/65/434148665.db2.gz NOHBRYQRJGWAIK-OAHLLOKOSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1F ZINC000340466834 434148677 /nfs/dbraw/zinc/14/86/77/434148677.db2.gz NOHBRYQRJGWAIK-OAHLLOKOSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340474426 434152615 /nfs/dbraw/zinc/15/26/15/434152615.db2.gz ISKHRPWJEWTGBB-YTQUADARSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000340474426 434152623 /nfs/dbraw/zinc/15/26/23/434152623.db2.gz ISKHRPWJEWTGBB-YTQUADARSA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000340474694 434154159 /nfs/dbraw/zinc/15/41/59/434154159.db2.gz METVRJNATRTCEP-MJGOQNOKSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340474694 434154163 /nfs/dbraw/zinc/15/41/63/434154163.db2.gz METVRJNATRTCEP-MJGOQNOKSA-N 2 2 314.477 3.018 20 0 DGADLP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000286094040 434161084 /nfs/dbraw/zinc/16/10/84/434161084.db2.gz MXSJKYUXOKLPNV-DLBZAZTESA-N 2 2 321.371 3.141 20 0 DGADLP CCCCn1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)n1 ZINC000423019212 434173360 /nfs/dbraw/zinc/17/33/60/434173360.db2.gz USDRUAPBOUQBGU-DNVCBOLYSA-N 2 2 314.477 3.040 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCCS2)[C@H]2CCC[NH2+]2)cc1 ZINC000423027339 434174113 /nfs/dbraw/zinc/17/41/13/434174113.db2.gz DBLLAWUBHRNFOE-KSZLIROESA-N 2 2 320.502 3.364 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423034092 434177854 /nfs/dbraw/zinc/17/78/54/434177854.db2.gz XFWFMHWVWZLERH-XHDPSFHLSA-N 2 2 317.260 3.098 20 0 DGADLP Fc1cccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)c1 ZINC000423031222 434178979 /nfs/dbraw/zinc/17/89/79/434178979.db2.gz WWFPCAHNGWKPNA-RZRMAFQFSA-N 2 2 311.404 3.183 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C4CC4)C3)sc2C1 ZINC000346187511 434181868 /nfs/dbraw/zinc/18/18/68/434181868.db2.gz BGMJXVUBRZRQSR-CQSZACIVSA-N 2 2 305.491 3.142 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C4CC4)C3)sc2C1 ZINC000346187511 434181880 /nfs/dbraw/zinc/18/18/80/434181880.db2.gz BGMJXVUBRZRQSR-CQSZACIVSA-N 2 2 305.491 3.142 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C4CC4)C3)sc2C1 ZINC000346187511 434181892 /nfs/dbraw/zinc/18/18/92/434181892.db2.gz BGMJXVUBRZRQSR-CQSZACIVSA-N 2 2 305.491 3.142 20 0 DGADLP C[C@@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)[C@@H]1CCC[NH2+]1 ZINC000423048364 434187499 /nfs/dbraw/zinc/18/74/99/434187499.db2.gz IQAZKCAVNKOWKG-YGRLFVJLSA-N 2 2 322.250 3.161 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000353550895 434220549 /nfs/dbraw/zinc/22/05/49/434220549.db2.gz JGVYTAOTNXMGRW-JKSUJKDBSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000353550895 434220563 /nfs/dbraw/zinc/22/05/63/434220563.db2.gz JGVYTAOTNXMGRW-JKSUJKDBSA-N 2 2 320.477 3.217 20 0 DGADLP COC(=O)c1csc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000286174638 434189867 /nfs/dbraw/zinc/18/98/67/434189867.db2.gz QATIGDHFRAPZGD-LBPRGKRZSA-N 2 2 304.415 3.131 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[NH+](C)C ZINC000363941588 434190610 /nfs/dbraw/zinc/19/06/10/434190610.db2.gz XMJKDYNMXYYLJQ-GVDBMIGSSA-N 2 2 306.498 3.012 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423054656 434191782 /nfs/dbraw/zinc/19/17/82/434191782.db2.gz BYWYAIUEVNBOLD-NFAWXSAZSA-N 2 2 304.459 3.319 20 0 DGADLP c1ccc(-c2cnc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nc2)cc1 ZINC000423054869 434194739 /nfs/dbraw/zinc/19/47/39/434194739.db2.gz VKWZNEYKHCVVIM-IPMKNSEASA-N 2 2 322.456 3.154 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423063226 434195369 /nfs/dbraw/zinc/19/53/69/434195369.db2.gz WAMPUSSOAOIGFP-KKXDTOCCSA-N 2 2 314.404 3.197 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)[C@H]1CCC[NH2+]1 ZINC000423060103 434197578 /nfs/dbraw/zinc/19/75/78/434197578.db2.gz NOZBWLKMQRHBQH-KXUCPTDWSA-N 2 2 303.269 3.302 20 0 DGADLP COc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423060200 434198876 /nfs/dbraw/zinc/19/88/76/434198876.db2.gz HPIKEKLCYKMNAP-ZWKOTPCHSA-N 2 2 314.404 3.417 20 0 DGADLP CC(C)CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccoc1 ZINC000353530434 434202247 /nfs/dbraw/zinc/20/22/47/434202247.db2.gz MLLQYQYBJDRTIQ-FUHWJXTLSA-N 2 2 308.466 3.315 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccnn1-c1ccccc1)CCC2 ZINC000364001488 434205101 /nfs/dbraw/zinc/20/51/01/434205101.db2.gz LMDSRFBELNLHAW-INIZCTEOSA-N 2 2 321.428 3.044 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423131526 434240763 /nfs/dbraw/zinc/24/07/63/434240763.db2.gz ZYVGCTPIQCEOLW-ROUUACIJSA-N 2 2 320.477 3.141 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148679 434247208 /nfs/dbraw/zinc/24/72/08/434247208.db2.gz GJTUCOJQDANDDV-MJGOQNOKSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148679 434247216 /nfs/dbraw/zinc/24/72/16/434247216.db2.gz GJTUCOJQDANDDV-MJGOQNOKSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)c1c[nH+]ccc1N ZINC000423156734 434251026 /nfs/dbraw/zinc/25/10/26/434251026.db2.gz UDPCQKMBJGMWLX-INIZCTEOSA-N 2 2 324.472 3.199 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423195682 434276174 /nfs/dbraw/zinc/27/61/74/434276174.db2.gz YBUOJWBIYAAKHX-AETAKHFUSA-N 2 2 322.880 3.333 20 0 DGADLP C[C@H]([NH2+]C/C=C\c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423158018 434252765 /nfs/dbraw/zinc/25/27/65/434252765.db2.gz NOFGNEWOXAMEJE-LAIWBBNNSA-N 2 2 309.251 3.192 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncn1 ZINC000379626031 434256236 /nfs/dbraw/zinc/25/62/36/434256236.db2.gz GMLHDYPYBNQWOE-XYJFISCASA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncn1 ZINC000379626031 434256246 /nfs/dbraw/zinc/25/62/46/434256246.db2.gz GMLHDYPYBNQWOE-XYJFISCASA-N 2 2 310.445 3.180 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379636736 434257444 /nfs/dbraw/zinc/25/74/44/434257444.db2.gz XUQHBMATIUYVFQ-AFYVEPGGSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636736 434257450 /nfs/dbraw/zinc/25/74/50/434257450.db2.gz XUQHBMATIUYVFQ-AFYVEPGGSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423166882 434259321 /nfs/dbraw/zinc/25/93/21/434259321.db2.gz ZREXFBHVIXEOEF-SWLSCSKDSA-N 2 2 323.362 3.149 20 0 DGADLP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccco2)cc1 ZINC000423160133 434259470 /nfs/dbraw/zinc/25/94/70/434259470.db2.gz GZKYOCILPLRBRV-QDXKRRSBSA-N 2 2 312.413 3.250 20 0 DGADLP CC[NH+](CC)[C@H](CNc1cc[nH+]c(C(C)C)n1)c1ccco1 ZINC000346938661 434262992 /nfs/dbraw/zinc/26/29/92/434262992.db2.gz NHVYFYQDMDVLKZ-CQSZACIVSA-N 2 2 302.422 3.688 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423169492 434263356 /nfs/dbraw/zinc/26/33/56/434263356.db2.gz WBBVDCZBDHHNDI-NQYYFHDYSA-N 2 2 318.461 3.034 20 0 DGADLP Brc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)s1 ZINC000423177095 434268939 /nfs/dbraw/zinc/26/89/39/434268939.db2.gz AFFYHFQGVRZTMF-GWCFXTLKSA-N 2 2 315.280 3.303 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000423189094 434271457 /nfs/dbraw/zinc/27/14/57/434271457.db2.gz MFXXSVMRALYTDN-UONOGXRCSA-N 2 2 315.230 3.381 20 0 DGADLP O=C(CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000450572679 434274142 /nfs/dbraw/zinc/27/41/42/434274142.db2.gz VBBDJONIWXXELA-HNNXBMFYSA-N 2 2 315.392 3.391 20 0 DGADLP O=C(CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000450572679 434274150 /nfs/dbraw/zinc/27/41/50/434274150.db2.gz VBBDJONIWXXELA-HNNXBMFYSA-N 2 2 315.392 3.391 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423107687 434223296 /nfs/dbraw/zinc/22/32/96/434223296.db2.gz QANSZNORVHVURQ-QWHCGFSZSA-N 2 2 316.898 3.081 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499630 434229585 /nfs/dbraw/zinc/22/95/85/434229585.db2.gz JHQFXRPWUKQNHE-HOCLYGCPSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499630 434229592 /nfs/dbraw/zinc/22/95/92/434229592.db2.gz JHQFXRPWUKQNHE-HOCLYGCPSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000450499630 434229600 /nfs/dbraw/zinc/22/96/00/434229600.db2.gz JHQFXRPWUKQNHE-HOCLYGCPSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499630 434229607 /nfs/dbraw/zinc/22/96/07/434229607.db2.gz JHQFXRPWUKQNHE-HOCLYGCPSA-N 2 2 308.853 3.265 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000423123350 434233131 /nfs/dbraw/zinc/23/31/31/434233131.db2.gz LGIBHCINHPHJQY-QLFBSQMISA-N 2 2 316.420 3.397 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000381757201 434275892 /nfs/dbraw/zinc/27/58/92/434275892.db2.gz GXMYEUGQOAHTNX-OWYHZJEWSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000381757201 434275899 /nfs/dbraw/zinc/27/58/99/434275899.db2.gz GXMYEUGQOAHTNX-OWYHZJEWSA-N 2 2 302.462 3.197 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)c2ccccc21 ZINC000516450531 294607738 /nfs/dbraw/zinc/60/77/38/294607738.db2.gz ZQCMSBSXEYRDCO-RBUKOAKNSA-N 2 2 322.456 3.306 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1COc2ccccc2C1 ZINC000328120680 434281115 /nfs/dbraw/zinc/28/11/15/434281115.db2.gz LCUYIMNNBLKYEF-VQIMIIECSA-N 2 2 310.441 3.100 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1COc2ccccc2C1 ZINC000328120680 434281125 /nfs/dbraw/zinc/28/11/25/434281125.db2.gz LCUYIMNNBLKYEF-VQIMIIECSA-N 2 2 310.441 3.100 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385994 434283685 /nfs/dbraw/zinc/28/36/85/434283685.db2.gz WQGMMMWMLJLMDP-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385994 434283695 /nfs/dbraw/zinc/28/36/95/434283695.db2.gz WQGMMMWMLJLMDP-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000423206775 434284000 /nfs/dbraw/zinc/28/40/00/434284000.db2.gz CXIVGKUZAMJOTQ-LSDHHAIUSA-N 2 2 311.267 3.488 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358004161 434284346 /nfs/dbraw/zinc/28/43/46/434284346.db2.gz KRYCIDJEAHFWSO-YLJYHZDGSA-N 2 2 318.505 3.474 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358004161 434284355 /nfs/dbraw/zinc/28/43/55/434284355.db2.gz KRYCIDJEAHFWSO-YLJYHZDGSA-N 2 2 318.505 3.474 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H](C)C1 ZINC000423206224 434284964 /nfs/dbraw/zinc/28/49/64/434284964.db2.gz BOEWFTZSELMZBO-QAPCUYQASA-N 2 2 317.477 3.204 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H](C)C1 ZINC000423206224 434284968 /nfs/dbraw/zinc/28/49/68/434284968.db2.gz BOEWFTZSELMZBO-QAPCUYQASA-N 2 2 317.477 3.204 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423219420 434290066 /nfs/dbraw/zinc/29/00/66/434290066.db2.gz WPNMLTAOZOAGHJ-KBPBESRZSA-N 2 2 301.459 3.460 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219376 434292040 /nfs/dbraw/zinc/29/20/40/434292040.db2.gz TYLVJWUTRZRAEK-HNAYVOBHSA-N 2 2 322.456 3.372 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219376 434292051 /nfs/dbraw/zinc/29/20/51/434292051.db2.gz TYLVJWUTRZRAEK-HNAYVOBHSA-N 2 2 322.456 3.372 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423220599 434295279 /nfs/dbraw/zinc/29/52/79/434295279.db2.gz YJYJURRYYPXSBU-ACJLOTCBSA-N 2 2 317.383 3.038 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccsc1 ZINC000423224469 434295336 /nfs/dbraw/zinc/29/53/36/434295336.db2.gz BZJRXKGADOSQGH-HNNXBMFYSA-N 2 2 302.447 3.116 20 0 DGADLP C[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589632 434296878 /nfs/dbraw/zinc/29/68/78/434296878.db2.gz KVBKTLMUVWNLSS-HOTGVXAUSA-N 2 2 320.452 3.114 20 0 DGADLP C[C@@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589632 434296890 /nfs/dbraw/zinc/29/68/90/434296890.db2.gz KVBKTLMUVWNLSS-HOTGVXAUSA-N 2 2 320.452 3.114 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@@H](C)c1ccccc1 ZINC000423228815 434298563 /nfs/dbraw/zinc/29/85/63/434298563.db2.gz FGIGPSLCQAPQGJ-HZPDHXFCSA-N 2 2 310.445 3.095 20 0 DGADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000423241048 434303574 /nfs/dbraw/zinc/30/35/74/434303574.db2.gz HSNHSHCJRLLEAB-ZDUSSCGKSA-N 2 2 317.658 3.289 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000423235982 434305307 /nfs/dbraw/zinc/30/53/07/434305307.db2.gz GYCQASOGKKQQJF-SJORKVTESA-N 2 2 300.377 3.329 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423240944 434306144 /nfs/dbraw/zinc/30/61/44/434306144.db2.gz HMJGRINHMOLOIW-QGZVFWFLSA-N 2 2 303.837 3.218 20 0 DGADLP Clc1ccc([C@H](Cc2cccnc2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423245926 434308380 /nfs/dbraw/zinc/30/83/80/434308380.db2.gz YYDCTJGGMIZSIB-ROUUACIJSA-N 2 2 315.848 3.360 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048369 434308931 /nfs/dbraw/zinc/30/89/31/434308931.db2.gz PREUJDQLIBJICC-VNHYZAJKSA-N 2 2 316.474 3.196 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048369 434308939 /nfs/dbraw/zinc/30/89/39/434308939.db2.gz PREUJDQLIBJICC-VNHYZAJKSA-N 2 2 316.474 3.196 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423248670 434309933 /nfs/dbraw/zinc/30/99/33/434309933.db2.gz RXCNDBQCEHBXMY-BLLLJJGKSA-N 2 2 318.392 3.194 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423249047 434313067 /nfs/dbraw/zinc/31/30/67/434313067.db2.gz ODPXMOQOKNDGRC-RYQLBKOJSA-N 2 2 318.461 3.178 20 0 DGADLP CCC(=O)CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295329859 434313337 /nfs/dbraw/zinc/31/33/37/434313337.db2.gz OYPHOUYHDOOFQK-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295329859 434313344 /nfs/dbraw/zinc/31/33/44/434313344.db2.gz OYPHOUYHDOOFQK-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295329859 434313351 /nfs/dbraw/zinc/31/33/51/434313351.db2.gz OYPHOUYHDOOFQK-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295329859 434313358 /nfs/dbraw/zinc/31/33/58/434313358.db2.gz OYPHOUYHDOOFQK-FQEVSTJZSA-N 2 2 314.473 3.344 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cc1Br ZINC000386480963 434315096 /nfs/dbraw/zinc/31/50/96/434315096.db2.gz IHCKKMMGGCAEAQ-WDEREUQCSA-N 2 2 317.246 3.437 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000287264475 434315502 /nfs/dbraw/zinc/31/55/02/434315502.db2.gz CEHHPCFDNLKLLW-HNNXBMFYSA-N 2 2 317.260 3.101 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000423250030 434315641 /nfs/dbraw/zinc/31/56/41/434315641.db2.gz PWOJJYHMFUMBTR-ABAIWWIYSA-N 2 2 305.809 3.094 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(OC)c1 ZINC000423258804 434318349 /nfs/dbraw/zinc/31/83/49/434318349.db2.gz CLLYCFGVWHIKCE-SUMWQHHRSA-N 2 2 306.450 3.262 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cnn1-c1cc(C)ccc1C ZINC000423279476 434334252 /nfs/dbraw/zinc/33/42/52/434334252.db2.gz RZOPUCISRVEBJP-YJBOKZPZSA-N 2 2 314.477 3.431 20 0 DGADLP CC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000387501093 434323365 /nfs/dbraw/zinc/32/33/65/434323365.db2.gz XQCRROZHYYNAJO-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000387501093 434323370 /nfs/dbraw/zinc/32/33/70/434323370.db2.gz XQCRROZHYYNAJO-OALUTQOASA-N 2 2 316.489 3.446 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1Cl ZINC000423270393 434327611 /nfs/dbraw/zinc/32/76/11/434327611.db2.gz WNHZSBAZFGAPBO-NEPJUHHUSA-N 2 2 314.857 3.381 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccc(F)cc2)cc1 ZINC000423279759 434331708 /nfs/dbraw/zinc/33/17/08/434331708.db2.gz SIGCVKDJNXBXOU-MOPGFXCFSA-N 2 2 316.420 3.497 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600940 434362630 /nfs/dbraw/zinc/36/26/30/434362630.db2.gz UNPOYFJBSMNJBH-VQIMIIECSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600940 434362640 /nfs/dbraw/zinc/36/26/40/434362640.db2.gz UNPOYFJBSMNJBH-VQIMIIECSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423327456 434364518 /nfs/dbraw/zinc/36/45/18/434364518.db2.gz NIVRORVODXXEIK-ZWNOBZJWSA-N 2 2 305.422 3.263 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCC2)cnn1-c1cccc(Cl)c1 ZINC000423326402 434364843 /nfs/dbraw/zinc/36/48/43/434364843.db2.gz MEVKLYMALSEJAT-LBPRGKRZSA-N 2 2 318.852 3.366 20 0 DGADLP CCC(CC)[C@@H](CNC(=O)Nc1c(C)cc[nH+]c1C)[NH+](C)C ZINC000287464455 434366412 /nfs/dbraw/zinc/36/64/12/434366412.db2.gz JBHIDEOOJJASEL-OAHLLOKOSA-N 2 2 306.454 3.186 20 0 DGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423371126 434391572 /nfs/dbraw/zinc/39/15/72/434391572.db2.gz AJWPCGVBFAYYIZ-WBVHZDCISA-N 2 2 306.425 3.189 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncn1 ZINC000390898910 434376024 /nfs/dbraw/zinc/37/60/24/434376024.db2.gz GBZQQOWXLRWLMG-UXDRXVOSSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncn1 ZINC000390898910 434376033 /nfs/dbraw/zinc/37/60/33/434376033.db2.gz GBZQQOWXLRWLMG-UXDRXVOSSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@@H+]1C ZINC000287513052 434378827 /nfs/dbraw/zinc/37/88/27/434378827.db2.gz ZEUAFVRQTQKUEL-RDJZCZTQSA-N 2 2 319.493 3.469 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@H+]1C ZINC000287513052 434378837 /nfs/dbraw/zinc/37/88/37/434378837.db2.gz ZEUAFVRQTQKUEL-RDJZCZTQSA-N 2 2 319.493 3.469 20 0 DGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423357788 434379270 /nfs/dbraw/zinc/37/92/70/434379270.db2.gz ASRCNTZLUHOWHP-CDHAZOANSA-N 2 2 320.383 3.224 20 0 DGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423357789 434381452 /nfs/dbraw/zinc/38/14/52/434381452.db2.gz ASRCNTZLUHOWHP-DWQUBVKVSA-N 2 2 320.383 3.224 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423360651 434381696 /nfs/dbraw/zinc/38/16/96/434381696.db2.gz QMIBVTSLZTWEDH-WDMOLILDSA-N 2 2 309.251 3.339 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000392245857 434383552 /nfs/dbraw/zinc/38/35/52/434383552.db2.gz QBAZIBVHVYPTQJ-AWEZNQCLSA-N 2 2 323.278 3.232 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000392245857 434383564 /nfs/dbraw/zinc/38/35/64/434383564.db2.gz QBAZIBVHVYPTQJ-AWEZNQCLSA-N 2 2 323.278 3.232 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccc(F)cc2)cc1 ZINC000423279760 434335392 /nfs/dbraw/zinc/33/53/92/434335392.db2.gz SIGCVKDJNXBXOU-OALUTQOASA-N 2 2 316.420 3.497 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423275281 434336128 /nfs/dbraw/zinc/33/61/28/434336128.db2.gz LKWAMUOYFHPGMG-GTNSWQLSSA-N 2 2 318.852 3.222 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423279916 434340971 /nfs/dbraw/zinc/34/09/71/434340971.db2.gz SBTNUJIMTNIBLO-RDTXWAMCSA-N 2 2 312.461 3.185 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423294686 434342754 /nfs/dbraw/zinc/34/27/54/434342754.db2.gz CROULWAQHJINFE-YOEHRIQHSA-N 3 2 300.450 3.349 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000389236174 434345896 /nfs/dbraw/zinc/34/58/96/434345896.db2.gz JTOHXJXKSGDQHM-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000389236174 434345906 /nfs/dbraw/zinc/34/59/06/434345906.db2.gz JTOHXJXKSGDQHM-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423294684 434347011 /nfs/dbraw/zinc/34/70/11/434347011.db2.gz CROULWAQHJINFE-RHSMWYFYSA-N 3 2 300.450 3.349 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(C)c(C)[nH+]1 ZINC000340773553 434348746 /nfs/dbraw/zinc/34/87/46/434348746.db2.gz IQHVQNYGHPEGIV-MAUKXSAKSA-N 2 2 310.445 3.477 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423481575 434443471 /nfs/dbraw/zinc/44/34/71/434443471.db2.gz WXFVQYWNCBXRAX-WMZOPIPTSA-N 2 2 302.393 3.251 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000397869704 434444232 /nfs/dbraw/zinc/44/42/32/434444232.db2.gz IVUGREBUHHBMRZ-UHFFFAOYSA-N 2 2 323.278 3.379 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866978 434447378 /nfs/dbraw/zinc/44/73/78/434447378.db2.gz GOAMCNWPBMVVMM-IEBWSBKVSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866978 434447386 /nfs/dbraw/zinc/44/73/86/434447386.db2.gz GOAMCNWPBMVVMM-IEBWSBKVSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450866978 434447393 /nfs/dbraw/zinc/44/73/93/434447393.db2.gz GOAMCNWPBMVVMM-IEBWSBKVSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450866978 434447401 /nfs/dbraw/zinc/44/74/01/434447401.db2.gz GOAMCNWPBMVVMM-IEBWSBKVSA-N 2 2 324.509 3.161 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000423373312 434392475 /nfs/dbraw/zinc/39/24/75/434392475.db2.gz RVYFTSOOVPANQO-BDJLRTHQSA-N 2 2 312.417 3.157 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000287540951 434393249 /nfs/dbraw/zinc/39/32/49/434393249.db2.gz OEYMWSWUZCLTSD-ZDUSSCGKSA-N 2 2 318.446 3.184 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000353749064 434396883 /nfs/dbraw/zinc/39/68/83/434396883.db2.gz JONXJNZTVDAUAV-WMLDXEAASA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000353749064 434396892 /nfs/dbraw/zinc/39/68/92/434396892.db2.gz JONXJNZTVDAUAV-WMLDXEAASA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1C ZINC000353749064 434396900 /nfs/dbraw/zinc/39/69/00/434396900.db2.gz JONXJNZTVDAUAV-WMLDXEAASA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1C ZINC000353749064 434396902 /nfs/dbraw/zinc/39/69/02/434396902.db2.gz JONXJNZTVDAUAV-WMLDXEAASA-N 2 2 306.498 3.215 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423384600 434398253 /nfs/dbraw/zinc/39/82/53/434398253.db2.gz KCMJWMXQYOJDMB-KSSFIOAISA-N 2 2 320.477 3.441 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000423399770 434401102 /nfs/dbraw/zinc/40/11/02/434401102.db2.gz UZXFXHPQMBPOPW-HRAATJIYSA-N 3 2 321.468 3.042 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000423399770 434401113 /nfs/dbraw/zinc/40/11/13/434401113.db2.gz UZXFXHPQMBPOPW-HRAATJIYSA-N 3 2 321.468 3.042 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cnn1C(C)(C)C ZINC000423392410 434403701 /nfs/dbraw/zinc/40/37/01/434403701.db2.gz QKCAXJCIBAJGLQ-XJKSGUPXSA-N 2 2 306.498 3.375 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423401446 434407333 /nfs/dbraw/zinc/40/73/33/434407333.db2.gz XQEHHLBHDMVOOR-MAUKXSAKSA-N 2 2 320.477 3.141 20 0 DGADLP CC[C@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@H]1[NH3+] ZINC000394712035 434408128 /nfs/dbraw/zinc/40/81/28/434408128.db2.gz QPECEASNVULHPQ-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1[NH3+] ZINC000394712035 434408137 /nfs/dbraw/zinc/40/81/37/434408137.db2.gz QPECEASNVULHPQ-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP COC[C@@]1(C[NH2+]C(c2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC000423408889 434409887 /nfs/dbraw/zinc/40/98/87/434409887.db2.gz BBHKFKSJHKNVLF-FQEVSTJZSA-N 2 2 310.441 3.134 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000423413814 434411075 /nfs/dbraw/zinc/41/10/75/434411075.db2.gz BASOKRINKFFMJT-IAQYHMDHSA-N 2 2 317.260 3.413 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000423413813 434411174 /nfs/dbraw/zinc/41/11/74/434411174.db2.gz BASOKRINKFFMJT-ABAIWWIYSA-N 2 2 317.260 3.413 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423415945 434411639 /nfs/dbraw/zinc/41/16/39/434411639.db2.gz FJRMLCHZZIAGDR-AJYBTWMASA-N 2 2 314.473 3.058 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC000423414806 434411724 /nfs/dbraw/zinc/41/17/24/434411724.db2.gz CNTHYYNYTZLKNJ-RTWAWAEBSA-N 2 2 324.468 3.329 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)CCC[NH2+]1 ZINC000423431384 434421523 /nfs/dbraw/zinc/42/15/23/434421523.db2.gz QMKOFRFTEORQDG-BEFAXECRSA-N 2 2 316.445 3.469 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc3ccccc3n2)cc1 ZINC000423429210 434422081 /nfs/dbraw/zinc/42/20/81/434422081.db2.gz KAJAGWSYQCMDRH-KJNZLNQQSA-N 2 2 315.420 3.132 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000287665235 434424138 /nfs/dbraw/zinc/42/41/38/434424138.db2.gz HIQNPJLCFFMKMC-MRXNPFEDSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOC1CCC1 ZINC000287665235 434424145 /nfs/dbraw/zinc/42/41/45/434424145.db2.gz HIQNPJLCFFMKMC-MRXNPFEDSA-N 2 2 313.445 3.378 20 0 DGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445878 434426879 /nfs/dbraw/zinc/42/68/79/434426879.db2.gz YELOVXKBCJLYMR-QSJFSLAZSA-N 2 2 308.853 3.243 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000366479476 434429162 /nfs/dbraw/zinc/42/91/62/434429162.db2.gz GUBNTQPPUSBRCR-LJQANCHMSA-N 2 2 311.429 3.178 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000366479476 434429171 /nfs/dbraw/zinc/42/91/71/434429171.db2.gz GUBNTQPPUSBRCR-LJQANCHMSA-N 2 2 311.429 3.178 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000366479476 434429180 /nfs/dbraw/zinc/42/91/80/434429180.db2.gz GUBNTQPPUSBRCR-LJQANCHMSA-N 2 2 311.429 3.178 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000366479476 434429189 /nfs/dbraw/zinc/42/91/89/434429189.db2.gz GUBNTQPPUSBRCR-LJQANCHMSA-N 2 2 311.429 3.178 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423462132 434431362 /nfs/dbraw/zinc/43/13/62/434431362.db2.gz KJKXBURQYNWKLI-GDBMZVCRSA-N 2 2 300.450 3.185 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000397259200 434433001 /nfs/dbraw/zinc/43/30/01/434433001.db2.gz GPEQJEPWKINBGJ-CKYFFXLPSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(Br)c2)C[C@H]1C[NH3+] ZINC000397259200 434433005 /nfs/dbraw/zinc/43/30/05/434433005.db2.gz GPEQJEPWKINBGJ-CKYFFXLPSA-N 2 2 317.296 3.316 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397379616 434435293 /nfs/dbraw/zinc/43/52/93/434435293.db2.gz FLZYBPCDMDBOLF-PMPSAXMXSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397379616 434435301 /nfs/dbraw/zinc/43/53/01/434435301.db2.gz FLZYBPCDMDBOLF-PMPSAXMXSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000397427366 434435878 /nfs/dbraw/zinc/43/58/78/434435878.db2.gz XGBKWVNCNFRAPV-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000397427366 434435885 /nfs/dbraw/zinc/43/58/85/434435885.db2.gz XGBKWVNCNFRAPV-JHJVBQTASA-N 2 2 305.447 3.208 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423477395 434439841 /nfs/dbraw/zinc/43/98/41/434439841.db2.gz TYQJPQMEWLYCIW-BXUZGUMPSA-N 2 2 306.841 3.222 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423497216 434459125 /nfs/dbraw/zinc/45/91/25/434459125.db2.gz GFXSWUGHMBHPCK-SUMWQHHRSA-N 2 2 312.413 3.328 20 0 DGADLP CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(-c2ccncc2)[nH+]1 ZINC000295975862 434461797 /nfs/dbraw/zinc/46/17/97/434461797.db2.gz KQHXXYGLUWYSAL-ALOPSCKCSA-N 2 2 323.444 3.138 20 0 DGADLP CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(-c2ccncc2)[nH+]1 ZINC000295975862 434461805 /nfs/dbraw/zinc/46/18/05/434461805.db2.gz KQHXXYGLUWYSAL-ALOPSCKCSA-N 2 2 323.444 3.138 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423517435 434468896 /nfs/dbraw/zinc/46/88/96/434468896.db2.gz YTKCCNBSQJEVLR-ABAIWWIYSA-N 2 2 310.413 3.011 20 0 DGADLP Cc1ccn2c(CNc3ccccc3CC[NH+](C)C)c[nH+]c2c1 ZINC000438371338 434470611 /nfs/dbraw/zinc/47/06/11/434470611.db2.gz APGRBFYLTRGOJO-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(C)[nH+]c(CC)n1 ZINC000287877615 434472896 /nfs/dbraw/zinc/47/28/96/434472896.db2.gz UCVKPSBGSJEGJC-UHFFFAOYSA-N 2 2 301.438 3.023 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423526436 434474279 /nfs/dbraw/zinc/47/42/79/434474279.db2.gz QMAUWYVDQOYYAE-FZMZJTMJSA-N 2 2 303.233 3.023 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)c1 ZINC000423529189 434475312 /nfs/dbraw/zinc/47/53/12/434475312.db2.gz OCYSFLJDZGCZGI-UIAACRFSSA-N 2 2 310.441 3.410 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423554372 434484462 /nfs/dbraw/zinc/48/44/62/434484462.db2.gz HDMCWZRHCWUMNS-IRXDYDNUSA-N 3 2 303.494 3.004 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000423566487 434489040 /nfs/dbraw/zinc/48/90/40/434489040.db2.gz LWTRVAFTEOYSEE-KRWDZBQOSA-N 3 2 315.505 3.148 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008302 434449991 /nfs/dbraw/zinc/44/99/91/434449991.db2.gz AFTPYGKFMYJBOF-DOTOQJQBSA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008302 434449998 /nfs/dbraw/zinc/44/99/98/434449998.db2.gz AFTPYGKFMYJBOF-DOTOQJQBSA-N 2 2 311.429 3.413 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC1(O)CCC1 ZINC000398119988 434454386 /nfs/dbraw/zinc/45/43/86/434454386.db2.gz QHUHDQPICHCKEP-GOSISDBHSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC1(O)CCC1 ZINC000398119988 434454398 /nfs/dbraw/zinc/45/43/98/434454398.db2.gz QHUHDQPICHCKEP-GOSISDBHSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@@H](C[NH2+]CC1(OC)CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000359973754 434457334 /nfs/dbraw/zinc/45/73/34/434457334.db2.gz CSGFXTDHTXMDBN-IBGZPJMESA-N 2 2 316.489 3.372 20 0 DGADLP CC[C@@H](C[NH2+]CC1(OC)CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000359973754 434457343 /nfs/dbraw/zinc/45/73/43/434457343.db2.gz CSGFXTDHTXMDBN-IBGZPJMESA-N 2 2 316.489 3.372 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360076263 434506400 /nfs/dbraw/zinc/50/64/00/434506400.db2.gz PKTODDDNUXMMOI-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360076263 434506406 /nfs/dbraw/zinc/50/64/06/434506406.db2.gz PKTODDDNUXMMOI-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360076263 434506413 /nfs/dbraw/zinc/50/64/13/434506413.db2.gz PKTODDDNUXMMOI-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360076263 434506420 /nfs/dbraw/zinc/50/64/20/434506420.db2.gz PKTODDDNUXMMOI-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)[C@@H]1CC[NH3+] ZINC000404339601 434512270 /nfs/dbraw/zinc/51/22/70/434512270.db2.gz CWENYIQDUAUFPS-GXTWGEPZSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)[C@@H]1CC[NH3+] ZINC000404339601 434512276 /nfs/dbraw/zinc/51/22/76/434512276.db2.gz CWENYIQDUAUFPS-GXTWGEPZSA-N 2 2 305.447 3.352 20 0 DGADLP COC1(C[C@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CCC1 ZINC000348833318 434517856 /nfs/dbraw/zinc/51/78/56/434517856.db2.gz MISSOSFBWBBLRH-AWEZNQCLSA-N 2 2 300.406 3.086 20 0 DGADLP COc1ccccc1C[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839865 434521787 /nfs/dbraw/zinc/52/17/87/434521787.db2.gz YWRIUWUUQAEKFL-HNNXBMFYSA-N 2 2 322.412 3.378 20 0 DGADLP Cc1cnccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000296156819 434524802 /nfs/dbraw/zinc/52/48/02/434524802.db2.gz WHJTZCYNMADHHX-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cnccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000296156819 434524809 /nfs/dbraw/zinc/52/48/09/434524809.db2.gz WHJTZCYNMADHHX-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP CCn1c[nH+]cc1C[NH2+]Cc1ccc(-c2csc(C)n2)o1 ZINC000417830203 434531170 /nfs/dbraw/zinc/53/11/70/434531170.db2.gz BGNQVMBIUGHYAJ-UHFFFAOYSA-N 2 2 302.403 3.218 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCn3ccnc32)C1 ZINC000296173601 434532638 /nfs/dbraw/zinc/53/26/38/434532638.db2.gz XUTGLPJHUFGRIH-APWZRJJASA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCn3ccnc32)C1 ZINC000296173601 434532646 /nfs/dbraw/zinc/53/26/46/434532646.db2.gz XUTGLPJHUFGRIH-APWZRJJASA-N 2 2 324.472 3.350 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccc(N3CCCC3=O)c2)c[nH+]1 ZINC000353942457 434537468 /nfs/dbraw/zinc/53/74/68/434537468.db2.gz FZHGKNZWJFYBFU-UHFFFAOYSA-N 2 2 323.440 3.239 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](c3ccccc3)C(C)(C)CO)n2c1 ZINC000438853604 434538994 /nfs/dbraw/zinc/53/89/94/434538994.db2.gz UKCBQDIRBAZYBU-LJQANCHMSA-N 2 2 323.440 3.492 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000438905622 434541519 /nfs/dbraw/zinc/54/15/19/434541519.db2.gz RCLFMGPVEPFZJS-WFASDCNBSA-N 2 2 311.267 3.187 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000438905622 434541524 /nfs/dbraw/zinc/54/15/24/434541524.db2.gz RCLFMGPVEPFZJS-WFASDCNBSA-N 2 2 311.267 3.187 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2n[nH]cc2c1 ZINC000353984834 434558401 /nfs/dbraw/zinc/55/84/01/434558401.db2.gz ZJWPRBIUKRHCOE-AWEZNQCLSA-N 2 2 321.428 3.278 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000360248928 434559172 /nfs/dbraw/zinc/55/91/72/434559172.db2.gz JSVJNBZKWCKTHL-MRXNPFEDSA-N 2 2 310.441 3.499 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000360248928 434559177 /nfs/dbraw/zinc/55/91/77/434559177.db2.gz JSVJNBZKWCKTHL-MRXNPFEDSA-N 2 2 310.441 3.499 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccnc3ccccc13)CCC2 ZINC000525682713 295025862 /nfs/dbraw/zinc/02/58/62/295025862.db2.gz ZAJYBLUMOBAOKM-MRXNPFEDSA-N 2 2 306.413 3.407 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000527098606 295077425 /nfs/dbraw/zinc/07/74/25/295077425.db2.gz UQBDXSNNLZXNGY-PKOBYXMFSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000527098606 295077426 /nfs/dbraw/zinc/07/74/26/295077426.db2.gz UQBDXSNNLZXNGY-PKOBYXMFSA-N 2 2 304.478 3.159 20 0 DGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000527538838 295102733 /nfs/dbraw/zinc/10/27/33/295102733.db2.gz NMPQHPLCKCEDJI-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000527538838 295102735 /nfs/dbraw/zinc/10/27/35/295102735.db2.gz NMPQHPLCKCEDJI-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527635297 295107663 /nfs/dbraw/zinc/10/76/63/295107663.db2.gz ARTXHKODFQLDQO-MNEFBYGVSA-N 2 2 309.457 3.498 20 0 DGADLP c1ccc([C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[NH+]2CCCC2)cc1 ZINC000459373237 434573218 /nfs/dbraw/zinc/57/32/18/434573218.db2.gz RQJWIOPARVMLOY-LJQANCHMSA-N 2 2 322.456 3.281 20 0 DGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423909238 434573577 /nfs/dbraw/zinc/57/35/77/434573577.db2.gz QARUAMJQVKIDTO-PXAZEXFGSA-N 2 2 313.401 3.494 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000527905226 295148148 /nfs/dbraw/zinc/14/81/48/295148148.db2.gz SNWJSSKZYVQXPW-LPHOPBHVSA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000527905226 295148150 /nfs/dbraw/zinc/14/81/50/295148150.db2.gz SNWJSSKZYVQXPW-LPHOPBHVSA-N 2 2 304.478 3.307 20 0 DGADLP COc1ccc[nH+]c1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000527989858 295161347 /nfs/dbraw/zinc/16/13/47/295161347.db2.gz HOGOFEDWTPSAFL-UHFFFAOYSA-N 2 2 312.417 3.007 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000527998301 295162564 /nfs/dbraw/zinc/16/25/64/295162564.db2.gz YDYBDVKPEJESPO-BLVKFPJESA-N 2 2 315.436 3.230 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000527998301 295162565 /nfs/dbraw/zinc/16/25/65/295162565.db2.gz YDYBDVKPEJESPO-BLVKFPJESA-N 2 2 315.436 3.230 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793538 434576092 /nfs/dbraw/zinc/57/60/92/434576092.db2.gz BKQCHYOPIZZFDV-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793538 434576110 /nfs/dbraw/zinc/57/61/10/434576110.db2.gz BKQCHYOPIZZFDV-SFHVURJKSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1cc(NC(=O)C2([NH3+])CCCC2)ccc1Oc1cc[nH+]cc1 ZINC000423919333 434579654 /nfs/dbraw/zinc/57/96/54/434579654.db2.gz ZPDRBUPKDLBRDR-UHFFFAOYSA-N 2 2 311.385 3.392 20 0 DGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423909244 434574552 /nfs/dbraw/zinc/57/45/52/434574552.db2.gz QARUAMJQVKIDTO-YVEFUNNKSA-N 2 2 313.401 3.494 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](CO)CC3CCCCC3)c[nH+]c12 ZINC000418126931 434596816 /nfs/dbraw/zinc/59/68/16/434596816.db2.gz MVDPLHKOCRYLPK-MRXNPFEDSA-N 2 2 301.434 3.064 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)c2ccccc21 ZINC000423134651 295324718 /nfs/dbraw/zinc/32/47/18/295324718.db2.gz XHVCJIWDIASUBV-KZNAEPCWSA-N 2 2 316.832 3.498 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000349145954 434622236 /nfs/dbraw/zinc/62/22/36/434622236.db2.gz GDZDZOWCEUBFMG-LLVKDONJSA-N 2 2 316.405 3.158 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000349145954 434622240 /nfs/dbraw/zinc/62/22/40/434622240.db2.gz GDZDZOWCEUBFMG-LLVKDONJSA-N 2 2 316.405 3.158 20 0 DGADLP CCc1nnc([C@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)o1 ZINC000439546411 434624210 /nfs/dbraw/zinc/62/42/10/434624210.db2.gz IQSSXZSYWFIWGL-AWEZNQCLSA-N 2 2 316.449 3.325 20 0 DGADLP CCc1nnc([C@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)o1 ZINC000439577020 434626264 /nfs/dbraw/zinc/62/62/64/434626264.db2.gz WJUMHRBPVUSAFG-AWEZNQCLSA-N 2 2 316.449 3.325 20 0 DGADLP CC(C)[C@@H](CNCc1c[nH+]cn1C(C)C)[NH+]1CCC(C)CC1 ZINC000424125552 434629772 /nfs/dbraw/zinc/62/97/72/434629772.db2.gz AGEANSVHCYZQGA-GOSISDBHSA-N 2 2 306.498 3.310 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000354089138 434611200 /nfs/dbraw/zinc/61/12/00/434611200.db2.gz BODUBTQQCKRRIS-CQSZACIVSA-N 2 2 315.417 3.082 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371394062 434691508 /nfs/dbraw/zinc/69/15/08/434691508.db2.gz WLIWTWQLFSDMAI-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371394062 434691514 /nfs/dbraw/zinc/69/15/14/434691514.db2.gz WLIWTWQLFSDMAI-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166442 434648605 /nfs/dbraw/zinc/64/86/05/434648605.db2.gz LCROEYAPHIZXLW-KSSFIOAISA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166442 434648611 /nfs/dbraw/zinc/64/86/11/434648611.db2.gz LCROEYAPHIZXLW-KSSFIOAISA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)sc2C1 ZINC000354166442 434648613 /nfs/dbraw/zinc/64/86/13/434648613.db2.gz LCROEYAPHIZXLW-KSSFIOAISA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)sc2C1 ZINC000354166442 434648617 /nfs/dbraw/zinc/64/86/17/434648617.db2.gz LCROEYAPHIZXLW-KSSFIOAISA-N 2 2 319.518 3.186 20 0 DGADLP c1csc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000424286839 434678754 /nfs/dbraw/zinc/67/87/54/434678754.db2.gz WMQORWWCHCACBX-CVEARBPZSA-N 2 2 324.453 3.228 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000459755554 434699985 /nfs/dbraw/zinc/69/99/85/434699985.db2.gz OZOHCTNPFWIGFF-UONOGXRCSA-N 2 2 309.417 3.326 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(C)nc1C(C)(C)C ZINC000349359089 434689557 /nfs/dbraw/zinc/68/95/57/434689557.db2.gz YXKWTDQJCGRSOB-UHFFFAOYSA-N 2 2 308.514 3.271 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(C)nc1C(C)(C)C ZINC000349359089 434689563 /nfs/dbraw/zinc/68/95/63/434689563.db2.gz YXKWTDQJCGRSOB-UHFFFAOYSA-N 2 2 308.514 3.271 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC000424334728 434701328 /nfs/dbraw/zinc/70/13/28/434701328.db2.gz OBTACCBUULZLIW-HUUCEWRRSA-N 2 2 317.458 3.178 20 0 DGADLP COc1ccccc1CC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354282157 434705302 /nfs/dbraw/zinc/70/53/02/434705302.db2.gz NFSYOVXNBSLLAV-UHFFFAOYSA-N 2 2 309.413 3.454 20 0 DGADLP CC[N@H+](C)[C@@H](c1nc(C2([NH3+])CCCCC2)no1)c1ccccc1 ZINC000424351179 434707943 /nfs/dbraw/zinc/70/79/43/434707943.db2.gz YHPHWOMBOPXBAI-OAHLLOKOSA-N 2 2 314.433 3.229 20 0 DGADLP CC[N@@H+](C)[C@@H](c1nc(C2([NH3+])CCCCC2)no1)c1ccccc1 ZINC000424351179 434707947 /nfs/dbraw/zinc/70/79/47/434707947.db2.gz YHPHWOMBOPXBAI-OAHLLOKOSA-N 2 2 314.433 3.229 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000349412257 434708778 /nfs/dbraw/zinc/70/87/78/434708778.db2.gz YKVRQRWEJVUVNS-ZDUSSCGKSA-N 2 2 318.490 3.295 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000349412257 434708783 /nfs/dbraw/zinc/70/87/83/434708783.db2.gz YKVRQRWEJVUVNS-ZDUSSCGKSA-N 2 2 318.490 3.295 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424379334 434713301 /nfs/dbraw/zinc/71/33/01/434713301.db2.gz VJUFSZMRNCPKQG-OUUBHVDSSA-N 3 2 313.489 3.042 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424379334 434713308 /nfs/dbraw/zinc/71/33/08/434713308.db2.gz VJUFSZMRNCPKQG-OUUBHVDSSA-N 3 2 313.489 3.042 20 0 DGADLP C[C@@H]1C[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000371485118 434719250 /nfs/dbraw/zinc/71/92/50/434719250.db2.gz KPVRYIIWYLBUPY-NVXWUHKLSA-N 2 2 322.456 3.496 20 0 DGADLP C[C@@H]1C[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000371485118 434719255 /nfs/dbraw/zinc/71/92/55/434719255.db2.gz KPVRYIIWYLBUPY-NVXWUHKLSA-N 2 2 322.456 3.496 20 0 DGADLP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1cnccn1 ZINC000411310890 434760390 /nfs/dbraw/zinc/76/03/90/434760390.db2.gz PUIQJIUMZKHXSJ-UHFFFAOYSA-N 2 2 310.445 3.095 20 0 DGADLP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1cnccn1 ZINC000411310890 434760394 /nfs/dbraw/zinc/76/03/94/434760394.db2.gz PUIQJIUMZKHXSJ-UHFFFAOYSA-N 2 2 310.445 3.095 20 0 DGADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1F ZINC000371980300 434780301 /nfs/dbraw/zinc/78/03/01/434780301.db2.gz XLCUECTZTOONQM-NVXWUHKLSA-N 2 2 317.408 3.347 20 0 DGADLP CC(C)CCOCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361047552 434778491 /nfs/dbraw/zinc/77/84/91/434778491.db2.gz ZAUWFYFDXXNUIQ-UHFFFAOYSA-N 2 2 307.482 3.438 20 0 DGADLP CC1CC[NH+](CCN2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000361071429 434786072 /nfs/dbraw/zinc/78/60/72/434786072.db2.gz ABRDXPYJHGQYNU-UHFFFAOYSA-N 2 2 318.509 3.107 20 0 DGADLP CC1CCN(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000361071429 434786079 /nfs/dbraw/zinc/78/60/79/434786079.db2.gz ABRDXPYJHGQYNU-UHFFFAOYSA-N 2 2 318.509 3.107 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113969 434804460 /nfs/dbraw/zinc/80/44/60/434804460.db2.gz RHJNZSGVEGJKSK-QZTJIDSGSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113969 434804464 /nfs/dbraw/zinc/80/44/64/434804464.db2.gz RHJNZSGVEGJKSK-QZTJIDSGSA-N 2 2 321.896 3.017 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000361081191 434791144 /nfs/dbraw/zinc/79/11/44/434791144.db2.gz XBGORECHKOIZDI-FRQCXROJSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000361081191 434791151 /nfs/dbraw/zinc/79/11/51/434791151.db2.gz XBGORECHKOIZDI-FRQCXROJSA-N 2 2 312.461 3.389 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000453076505 434792045 /nfs/dbraw/zinc/79/20/45/434792045.db2.gz HXRNYDJLFNNOLC-KRWDZBQOSA-N 2 2 316.493 3.186 20 0 DGADLP c1c(CC[NH2+]C2CCc3ccccc3CC2)[nH+]c2ccccn12 ZINC000453074283 434793453 /nfs/dbraw/zinc/79/34/53/434793453.db2.gz GYTCXDDKJCTCOC-UHFFFAOYSA-N 2 2 305.425 3.414 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108084 434796265 /nfs/dbraw/zinc/79/62/65/434796265.db2.gz RJPGJHWOAOYDHH-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108084 434796269 /nfs/dbraw/zinc/79/62/69/434796269.db2.gz RJPGJHWOAOYDHH-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108084 434796272 /nfs/dbraw/zinc/79/62/72/434796272.db2.gz RJPGJHWOAOYDHH-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108084 434796275 /nfs/dbraw/zinc/79/62/75/434796275.db2.gz RJPGJHWOAOYDHH-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)Cc2cnccn2)[NH+]2CCCC2)cc1 ZINC000453086393 434797217 /nfs/dbraw/zinc/79/72/17/434797217.db2.gz KYTXNSBBYDOYIY-PXNSSMCTSA-N 2 2 324.472 3.143 20 0 DGADLP CO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCC2 ZINC000453111228 434805115 /nfs/dbraw/zinc/80/51/15/434805115.db2.gz BMBDNCPHPWBTCY-MSOLQXFVSA-N 2 2 311.429 3.228 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411641111 434813091 /nfs/dbraw/zinc/81/30/91/434813091.db2.gz WUBWGLILMIHTLB-MRXNPFEDSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411641111 434813094 /nfs/dbraw/zinc/81/30/94/434813094.db2.gz WUBWGLILMIHTLB-MRXNPFEDSA-N 2 2 317.408 3.397 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000453143030 434815668 /nfs/dbraw/zinc/81/56/68/434815668.db2.gz UTZGMFSUVQRJTL-DLBZAZTESA-N 2 2 314.477 3.464 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453143030 434815675 /nfs/dbraw/zinc/81/56/75/434815675.db2.gz UTZGMFSUVQRJTL-DLBZAZTESA-N 2 2 314.477 3.464 20 0 DGADLP c1cncc(C[NH+]2CCC(Nc3cc4c(c[nH+]3)CCCC4)CC2)c1 ZINC000361182331 434822953 /nfs/dbraw/zinc/82/29/53/434822953.db2.gz YSAKZHNSOVLTIZ-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000453257264 434841617 /nfs/dbraw/zinc/84/16/17/434841617.db2.gz NRWKSTACRLYLKX-LPHOPBHVSA-N 2 2 304.478 3.340 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C2CCC2)cc1 ZINC000453254200 434842254 /nfs/dbraw/zinc/84/22/54/434842254.db2.gz DGYYKKHQMFQGPZ-WOJBJXKFSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C2CCC2)cc1 ZINC000453254200 434842257 /nfs/dbraw/zinc/84/22/57/434842257.db2.gz DGYYKKHQMFQGPZ-WOJBJXKFSA-N 2 2 316.489 3.273 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1c1ccccc1 ZINC000453258078 434843634 /nfs/dbraw/zinc/84/36/34/434843634.db2.gz HPZMVYVPVWXOOR-CEXWTWQISA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C[C@H]1c1ccccc1 ZINC000453258078 434843635 /nfs/dbraw/zinc/84/36/35/434843635.db2.gz HPZMVYVPVWXOOR-CEXWTWQISA-N 2 2 316.489 3.005 20 0 DGADLP CCCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453268641 434844527 /nfs/dbraw/zinc/84/45/27/434844527.db2.gz QLCFFQULBPSMAT-RTBURBONSA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453268641 434844529 /nfs/dbraw/zinc/84/45/29/434844529.db2.gz QLCFFQULBPSMAT-RTBURBONSA-N 2 2 304.478 3.354 20 0 DGADLP C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000453282840 434848921 /nfs/dbraw/zinc/84/89/21/434848921.db2.gz HYLMFAOXRIJJFW-CHWSQXEVSA-N 2 2 300.393 3.321 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000453290970 434849460 /nfs/dbraw/zinc/84/94/60/434849460.db2.gz NGRJXGGJQRJHKA-VQTJNVASSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000453290970 434849462 /nfs/dbraw/zinc/84/94/62/434849462.db2.gz NGRJXGGJQRJHKA-VQTJNVASSA-N 2 2 316.489 3.354 20 0 DGADLP CC(C)C[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)n1cc[nH+]c1 ZINC000637857880 434893130 /nfs/dbraw/zinc/89/31/30/434893130.db2.gz UOERPGURAYCGMW-CJNGLKHVSA-N 2 2 300.406 3.129 20 0 DGADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1csc(-c2ccccc2)n1 ZINC000573425717 434897779 /nfs/dbraw/zinc/89/77/79/434897779.db2.gz FDCFDFIEPVNEMJ-CYBMUJFWSA-N 2 2 312.442 3.437 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc(C4CCCCC4)s3)C[C@@H]2C1 ZINC000573515258 434903831 /nfs/dbraw/zinc/90/38/31/434903831.db2.gz SAZZUOPGYPGJQF-GASCZTMLSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(C4CCCCC4)s3)C[C@@H]2C1 ZINC000573515258 434903835 /nfs/dbraw/zinc/90/38/35/434903835.db2.gz SAZZUOPGYPGJQF-GASCZTMLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]2C1 ZINC000573515258 434903839 /nfs/dbraw/zinc/90/38/39/434903839.db2.gz SAZZUOPGYPGJQF-GASCZTMLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)C[C@@H]2C1 ZINC000573515258 434903844 /nfs/dbraw/zinc/90/38/44/434903844.db2.gz SAZZUOPGYPGJQF-GASCZTMLSA-N 2 2 305.491 3.184 20 0 DGADLP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000554093231 434913535 /nfs/dbraw/zinc/91/35/35/434913535.db2.gz XZKCOMWKBAEGMJ-LJQANCHMSA-N 2 2 318.505 3.346 20 0 DGADLP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000554093231 434913538 /nfs/dbraw/zinc/91/35/38/434913538.db2.gz XZKCOMWKBAEGMJ-LJQANCHMSA-N 2 2 318.505 3.346 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000492211651 434935135 /nfs/dbraw/zinc/93/51/35/434935135.db2.gz UMZGHQSRUBVBSL-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000492211651 434935138 /nfs/dbraw/zinc/93/51/38/434935138.db2.gz UMZGHQSRUBVBSL-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000554724688 434944887 /nfs/dbraw/zinc/94/48/87/434944887.db2.gz SFQPWZJLLWWHSR-LRDDRELGSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000554724688 434944889 /nfs/dbraw/zinc/94/48/89/434944889.db2.gz SFQPWZJLLWWHSR-LRDDRELGSA-N 2 2 323.278 3.368 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000638066492 434945343 /nfs/dbraw/zinc/94/53/43/434945343.db2.gz IJQDVTMPFRBYMR-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000638066492 434945345 /nfs/dbraw/zinc/94/53/45/434945345.db2.gz IJQDVTMPFRBYMR-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000638066492 434945349 /nfs/dbraw/zinc/94/53/49/434945349.db2.gz IJQDVTMPFRBYMR-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000638066492 434945351 /nfs/dbraw/zinc/94/53/51/434945351.db2.gz IJQDVTMPFRBYMR-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH+]c2c(C)cccn12 ZINC000463250368 434947959 /nfs/dbraw/zinc/94/79/59/434947959.db2.gz MELYKCRGDNDKLK-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000554868000 434949802 /nfs/dbraw/zinc/94/98/02/434949802.db2.gz YRFJMRAIJMLPTH-UHFFFAOYSA-N 2 2 300.450 3.475 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000554868000 434949810 /nfs/dbraw/zinc/94/98/10/434949810.db2.gz YRFJMRAIJMLPTH-UHFFFAOYSA-N 2 2 300.450 3.475 20 0 DGADLP CC[N@@H+](Cc1ccns1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638104035 434952209 /nfs/dbraw/zinc/95/22/09/434952209.db2.gz FNQQBMVOIJDSCS-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP CC[N@H+](Cc1ccns1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638104035 434952211 /nfs/dbraw/zinc/95/22/11/434952211.db2.gz FNQQBMVOIJDSCS-UHFFFAOYSA-N 2 2 316.474 3.277 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(CC2CCC2)n1 ZINC000638105353 434953123 /nfs/dbraw/zinc/95/31/23/434953123.db2.gz RGQJBRBOQFSSNR-GOSISDBHSA-N 2 2 316.493 3.134 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(CC2CCC2)n1 ZINC000638105353 434953126 /nfs/dbraw/zinc/95/31/26/434953126.db2.gz RGQJBRBOQFSSNR-GOSISDBHSA-N 2 2 316.493 3.134 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109805 434955882 /nfs/dbraw/zinc/95/58/82/434955882.db2.gz HKFMWIWHHUDYHN-CABCVRRESA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109805 434955887 /nfs/dbraw/zinc/95/58/87/434955887.db2.gz HKFMWIWHHUDYHN-CABCVRRESA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109805 434955890 /nfs/dbraw/zinc/95/58/90/434955890.db2.gz HKFMWIWHHUDYHN-CABCVRRESA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cccc2OC)C[C@H]1C ZINC000638109805 434955893 /nfs/dbraw/zinc/95/58/93/434955893.db2.gz HKFMWIWHHUDYHN-CABCVRRESA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000463568168 434965948 /nfs/dbraw/zinc/96/59/48/434965948.db2.gz OETPADRBEMRJRO-URLQWDBASA-N 2 2 302.462 3.045 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000463568168 434965952 /nfs/dbraw/zinc/96/59/52/434965952.db2.gz OETPADRBEMRJRO-URLQWDBASA-N 2 2 302.462 3.045 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3n2C)C[C@H]1n1cc[nH+]c1 ZINC000638171949 434970693 /nfs/dbraw/zinc/97/06/93/434970693.db2.gz MRDVSMHYUZUAFH-DNVCBOLYSA-N 2 2 308.429 3.458 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C[C@H]1n1cc[nH+]c1 ZINC000638171949 434970696 /nfs/dbraw/zinc/97/06/96/434970696.db2.gz MRDVSMHYUZUAFH-DNVCBOLYSA-N 2 2 308.429 3.458 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH+]1CCC([NH2+]C(C)C)CC1)CC2 ZINC000637998540 434927172 /nfs/dbraw/zinc/92/71/72/434927172.db2.gz JUBOSJQLCOZCCT-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462841911 434932688 /nfs/dbraw/zinc/93/26/88/434932688.db2.gz PXAJNNHSRBACKV-BHIYHBOVSA-N 2 2 304.478 3.302 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462841911 434932691 /nfs/dbraw/zinc/93/26/91/434932691.db2.gz PXAJNNHSRBACKV-BHIYHBOVSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462831940 434932848 /nfs/dbraw/zinc/93/28/48/434932848.db2.gz FAKCFQLHFNVFNK-NFAWXSAZSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462831940 434932849 /nfs/dbraw/zinc/93/28/49/434932849.db2.gz FAKCFQLHFNVFNK-NFAWXSAZSA-N 2 2 300.368 3.437 20 0 DGADLP CCCCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000556610568 435015208 /nfs/dbraw/zinc/01/52/08/435015208.db2.gz XFICYHBRNGBWBR-CVEARBPZSA-N 2 2 305.466 3.293 20 0 DGADLP Fc1ccc2ccc(C[NH2+]CCCCn3cc[nH+]c3)nc2c1F ZINC000638405355 435023541 /nfs/dbraw/zinc/02/35/41/435023541.db2.gz YIHBIMSNJNIHAW-UHFFFAOYSA-N 2 2 316.355 3.280 20 0 DGADLP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408416 435024148 /nfs/dbraw/zinc/02/41/48/435024148.db2.gz HGOSZNDIYYYZQG-BJLQDIEVSA-N 2 2 313.489 3.038 20 0 DGADLP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638408416 435024151 /nfs/dbraw/zinc/02/41/51/435024151.db2.gz HGOSZNDIYYYZQG-BJLQDIEVSA-N 2 2 313.489 3.038 20 0 DGADLP Cc1nn(C(C)C)cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000556810060 435026584 /nfs/dbraw/zinc/02/65/84/435026584.db2.gz KCDGWSLPLYWCAD-UHFFFAOYSA-N 2 2 310.405 3.024 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598009 434981257 /nfs/dbraw/zinc/98/12/57/434981257.db2.gz MMNOOOZZQORIDN-HIFRSBDPSA-N 2 2 322.415 3.293 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598009 434981262 /nfs/dbraw/zinc/98/12/62/434981262.db2.gz MMNOOOZZQORIDN-HIFRSBDPSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598009 434981266 /nfs/dbraw/zinc/98/12/66/434981266.db2.gz MMNOOOZZQORIDN-HIFRSBDPSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000555598009 434981270 /nfs/dbraw/zinc/98/12/70/434981270.db2.gz MMNOOOZZQORIDN-HIFRSBDPSA-N 2 2 322.415 3.293 20 0 DGADLP Cn1cc(CCC[NH2+]CC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000638282241 434995525 /nfs/dbraw/zinc/99/55/25/434995525.db2.gz QMNLSATZKLIWDC-UHFFFAOYSA-N 2 2 318.509 3.131 20 0 DGADLP CCc1ccc([C@H](C[NH2+]CCC2CCOCC2)[NH+](C)C)cc1 ZINC000638287446 434997338 /nfs/dbraw/zinc/99/73/38/434997338.db2.gz DYGBFFNUYKFHSW-IBGZPJMESA-N 2 2 304.478 3.258 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000574707034 434997534 /nfs/dbraw/zinc/99/75/34/434997534.db2.gz IHWFQAJKFOHDGG-KRWDZBQOSA-N 2 2 313.445 3.085 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000574707034 434997537 /nfs/dbraw/zinc/99/75/37/434997537.db2.gz IHWFQAJKFOHDGG-KRWDZBQOSA-N 2 2 313.445 3.085 20 0 DGADLP CCC[C@@H](C)[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000556238582 435002326 /nfs/dbraw/zinc/00/23/26/435002326.db2.gz AMMFFBDIZJEVJG-AHRSYUTCSA-N 2 2 318.505 3.210 20 0 DGADLP CCC[C@@H](C)[C@H](CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000556238582 435002331 /nfs/dbraw/zinc/00/23/31/435002331.db2.gz AMMFFBDIZJEVJG-AHRSYUTCSA-N 2 2 318.505 3.210 20 0 DGADLP CCC(CC)[C@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCC1 ZINC000638349963 435011100 /nfs/dbraw/zinc/01/11/00/435011100.db2.gz XKYGGLQFFYGUMU-ABHNRTSZSA-N 2 2 304.482 3.077 20 0 DGADLP Cc1nnsc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000638610363 435058716 /nfs/dbraw/zinc/05/87/16/435058716.db2.gz CBHHXYHIIHCSQK-CQSZACIVSA-N 2 2 316.474 3.162 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000638636397 435061813 /nfs/dbraw/zinc/06/18/13/435061813.db2.gz BEFXASNYBHLNCO-KRWDZBQOSA-N 2 2 313.420 3.162 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000638636397 435061817 /nfs/dbraw/zinc/06/18/17/435061817.db2.gz BEFXASNYBHLNCO-KRWDZBQOSA-N 2 2 313.420 3.162 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000578140457 435063156 /nfs/dbraw/zinc/06/31/56/435063156.db2.gz JOGXWKKKGOFKBO-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000578140457 435063158 /nfs/dbraw/zinc/06/31/58/435063158.db2.gz JOGXWKKKGOFKBO-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)n1C ZINC000578248069 435071782 /nfs/dbraw/zinc/07/17/82/435071782.db2.gz SSWUOIZOEZBRDY-UHFFFAOYSA-N 2 2 306.822 3.281 20 0 DGADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)sn1 ZINC000638697806 435072464 /nfs/dbraw/zinc/07/24/64/435072464.db2.gz GIHMOPLMXXSYOJ-MRXNPFEDSA-N 2 2 312.442 3.259 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000531141784 435075470 /nfs/dbraw/zinc/07/54/70/435075470.db2.gz CAAHPRVQWOTPHF-HNNXBMFYSA-N 2 2 321.484 3.492 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000578334435 435077726 /nfs/dbraw/zinc/07/77/26/435077726.db2.gz OGIJFVOVSPYMJE-CRAIPNDOSA-N 2 2 318.461 3.341 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000578334435 435077729 /nfs/dbraw/zinc/07/77/29/435077729.db2.gz OGIJFVOVSPYMJE-CRAIPNDOSA-N 2 2 318.461 3.341 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773498 435086129 /nfs/dbraw/zinc/08/61/29/435086129.db2.gz ATVPBNNJLQSVID-LKFCYVNXSA-N 2 2 314.260 3.148 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773498 435086130 /nfs/dbraw/zinc/08/61/30/435086130.db2.gz ATVPBNNJLQSVID-LKFCYVNXSA-N 2 2 314.260 3.148 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000558416534 435089235 /nfs/dbraw/zinc/08/92/35/435089235.db2.gz XMVVATSAYFRDAU-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000558416534 435089239 /nfs/dbraw/zinc/08/92/39/435089239.db2.gz XMVVATSAYFRDAU-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000638460347 435037073 /nfs/dbraw/zinc/03/70/73/435037073.db2.gz XLNUFFRYWPQFRY-KRWDZBQOSA-N 3 2 321.553 3.351 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000638564640 435052307 /nfs/dbraw/zinc/05/23/07/435052307.db2.gz MARWFLOGLAAEHQ-YQBZFSLMSA-N 2 2 302.462 3.227 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000638564640 435052310 /nfs/dbraw/zinc/05/23/10/435052310.db2.gz MARWFLOGLAAEHQ-YQBZFSLMSA-N 2 2 302.462 3.227 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000560091728 435148414 /nfs/dbraw/zinc/14/84/14/435148414.db2.gz FTLBXVVAXVZFFS-RYUDHWBXSA-N 2 2 301.356 3.430 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(C3CC3)s1)CCC2 ZINC000531629398 435106049 /nfs/dbraw/zinc/10/60/49/435106049.db2.gz VSIVAOGRKIGZIA-CYBMUJFWSA-N 2 2 302.447 3.193 20 0 DGADLP CC(C)(C[NH2+]CCc1cn2ccccc2[nH+]1)Oc1ccccc1 ZINC000638854937 435106380 /nfs/dbraw/zinc/10/63/80/435106380.db2.gz YCBLFMJNFVYYME-UHFFFAOYSA-N 2 2 309.413 3.324 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000638865975 435108148 /nfs/dbraw/zinc/10/81/48/435108148.db2.gz NGIMNRTYWPMVAA-APWZRJJASA-N 2 2 311.429 3.441 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000638865975 435108152 /nfs/dbraw/zinc/10/81/52/435108152.db2.gz NGIMNRTYWPMVAA-APWZRJJASA-N 2 2 311.429 3.441 20 0 DGADLP CC[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765871 435108722 /nfs/dbraw/zinc/10/87/22/435108722.db2.gz QUVSXECVGXSKOV-ICSRJNTNSA-N 2 2 316.489 3.367 20 0 DGADLP CC[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765871 435108726 /nfs/dbraw/zinc/10/87/26/435108726.db2.gz QUVSXECVGXSKOV-ICSRJNTNSA-N 2 2 316.489 3.367 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\c3[nH]cc[nH+]3)cc2)C1 ZINC000493110718 435108830 /nfs/dbraw/zinc/10/88/30/435108830.db2.gz AOKDWVGZKUELRK-CDNLZTBQSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\c3[nH]cc[nH+]3)cc2)C1 ZINC000493110718 435108836 /nfs/dbraw/zinc/10/88/36/435108836.db2.gz AOKDWVGZKUELRK-CDNLZTBQSA-N 2 2 324.428 3.294 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@@H](C)C3)c2cc1C ZINC000558752570 435109349 /nfs/dbraw/zinc/10/93/49/435109349.db2.gz WWJYUWZSKYOLKF-KBRIMQKVSA-N 2 2 315.461 3.182 20 0 DGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCCO2 ZINC000531728257 435114900 /nfs/dbraw/zinc/11/49/00/435114900.db2.gz MQDCDSBQMJNDMQ-KSSFIOAISA-N 2 2 302.462 3.449 20 0 DGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCCO2 ZINC000531728257 435114904 /nfs/dbraw/zinc/11/49/04/435114904.db2.gz MQDCDSBQMJNDMQ-KSSFIOAISA-N 2 2 302.462 3.449 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C(C)C)cc1 ZINC000531945109 435128667 /nfs/dbraw/zinc/12/86/67/435128667.db2.gz SOMPIXJUBCVRKH-GDIGMMSISA-N 2 2 302.462 3.465 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C(C)C)cc1 ZINC000531945109 435128670 /nfs/dbraw/zinc/12/86/70/435128670.db2.gz SOMPIXJUBCVRKH-GDIGMMSISA-N 2 2 302.462 3.465 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC1CCOCC1)C1CC1 ZINC000639060806 435140357 /nfs/dbraw/zinc/14/03/57/435140357.db2.gz JKGVSNVTYOLOGJ-FQEVSTJZSA-N 2 2 316.489 3.303 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC1CCOCC1)C1CC1 ZINC000639060806 435140360 /nfs/dbraw/zinc/14/03/60/435140360.db2.gz JKGVSNVTYOLOGJ-FQEVSTJZSA-N 2 2 316.489 3.303 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000639061113 435140459 /nfs/dbraw/zinc/14/04/59/435140459.db2.gz MZZSTJZYKROCQJ-LYBXBRPPSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000639061113 435140462 /nfs/dbraw/zinc/14/04/62/435140462.db2.gz MZZSTJZYKROCQJ-LYBXBRPPSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@]1(C[NH2+]CCC[C@@H]2CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000639071176 435143247 /nfs/dbraw/zinc/14/32/47/435143247.db2.gz HAISHLADYZDMCH-MOPGFXCFSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@@]1(C[NH2+]CCC[C@@H]2CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000639071176 435143252 /nfs/dbraw/zinc/14/32/52/435143252.db2.gz HAISHLADYZDMCH-MOPGFXCFSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@]1(C[NH2+]CCC[C@@H]2CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000639071179 435144369 /nfs/dbraw/zinc/14/43/69/435144369.db2.gz HAISHLADYZDMCH-RTBURBONSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@]1(C[NH2+]CCC[C@@H]2CCO2)CCC[N@H+]1Cc1ccccc1 ZINC000639071179 435144374 /nfs/dbraw/zinc/14/43/74/435144374.db2.gz HAISHLADYZDMCH-RTBURBONSA-N 2 2 302.462 3.200 20 0 DGADLP CO[C@@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)C1CCCC1 ZINC000639179084 435185359 /nfs/dbraw/zinc/18/53/59/435185359.db2.gz PRMHERMTLBQRCX-IBGZPJMESA-N 2 2 320.477 3.381 20 0 DGADLP CO[C@@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)C1CCCC1 ZINC000639179084 435185363 /nfs/dbraw/zinc/18/53/63/435185363.db2.gz PRMHERMTLBQRCX-IBGZPJMESA-N 2 2 320.477 3.381 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642115 435189192 /nfs/dbraw/zinc/18/91/92/435189192.db2.gz NJHDZMILXRBWRK-GUXCAODWSA-N 2 2 313.489 3.420 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642115 435189195 /nfs/dbraw/zinc/18/91/95/435189195.db2.gz NJHDZMILXRBWRK-GUXCAODWSA-N 2 2 313.489 3.420 20 0 DGADLP C[NH+](CCC[N@@H+](C)CC1Cc2ccccc2C1)Cc1ccco1 ZINC000579895201 435190840 /nfs/dbraw/zinc/19/08/40/435190840.db2.gz KMXINMTVNCRUKY-UHFFFAOYSA-N 2 2 312.457 3.448 20 0 DGADLP C[NH+](CCC[N@H+](C)CC1Cc2ccccc2C1)Cc1ccco1 ZINC000579895201 435190845 /nfs/dbraw/zinc/19/08/45/435190845.db2.gz KMXINMTVNCRUKY-UHFFFAOYSA-N 2 2 312.457 3.448 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1Cc2ccccc2C1 ZINC000579895201 435190849 /nfs/dbraw/zinc/19/08/49/435190849.db2.gz KMXINMTVNCRUKY-UHFFFAOYSA-N 2 2 312.457 3.448 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1Cc2ccccc2C1 ZINC000579895201 435190852 /nfs/dbraw/zinc/19/08/52/435190852.db2.gz KMXINMTVNCRUKY-UHFFFAOYSA-N 2 2 312.457 3.448 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000493765875 435190981 /nfs/dbraw/zinc/19/09/81/435190981.db2.gz NLJVQZMGNHRHOB-CXTNEJHOSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000493765875 435190986 /nfs/dbraw/zinc/19/09/86/435190986.db2.gz NLJVQZMGNHRHOB-CXTNEJHOSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2N)CC[N@@H+]1Cc1ccccc1 ZINC000639188120 435191493 /nfs/dbraw/zinc/19/14/93/435191493.db2.gz QNJKPWPWPVGYRG-KSSFIOAISA-N 2 2 313.420 3.161 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2N)CC[N@H+]1Cc1ccccc1 ZINC000639188120 435191497 /nfs/dbraw/zinc/19/14/97/435191497.db2.gz QNJKPWPWPVGYRG-KSSFIOAISA-N 2 2 313.420 3.161 20 0 DGADLP Clc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475335825 435192131 /nfs/dbraw/zinc/19/21/31/435192131.db2.gz MWVPIORWAOPCGE-IYBDPMFKSA-N 2 2 316.832 3.497 20 0 DGADLP Clc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475335825 435192134 /nfs/dbraw/zinc/19/21/34/435192134.db2.gz MWVPIORWAOPCGE-IYBDPMFKSA-N 2 2 316.832 3.497 20 0 DGADLP Clc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475335825 435192140 /nfs/dbraw/zinc/19/21/40/435192140.db2.gz MWVPIORWAOPCGE-IYBDPMFKSA-N 2 2 316.832 3.497 20 0 DGADLP Clc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475335825 435192145 /nfs/dbraw/zinc/19/21/45/435192145.db2.gz MWVPIORWAOPCGE-IYBDPMFKSA-N 2 2 316.832 3.497 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205401 435197061 /nfs/dbraw/zinc/19/70/61/435197061.db2.gz YYMWUTYIWOEMEA-MRXNPFEDSA-N 2 2 312.379 3.319 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205401 435197065 /nfs/dbraw/zinc/19/70/65/435197065.db2.gz YYMWUTYIWOEMEA-MRXNPFEDSA-N 2 2 312.379 3.319 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205401 435197066 /nfs/dbraw/zinc/19/70/66/435197066.db2.gz YYMWUTYIWOEMEA-MRXNPFEDSA-N 2 2 312.379 3.319 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)C1 ZINC000639205401 435197069 /nfs/dbraw/zinc/19/70/69/435197069.db2.gz YYMWUTYIWOEMEA-MRXNPFEDSA-N 2 2 312.379 3.319 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968395 435202727 /nfs/dbraw/zinc/20/27/27/435202727.db2.gz BNGGPNHJBARDIM-IBGZPJMESA-N 2 2 324.472 3.450 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968395 435202730 /nfs/dbraw/zinc/20/27/30/435202730.db2.gz BNGGPNHJBARDIM-IBGZPJMESA-N 2 2 324.472 3.450 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968395 435202733 /nfs/dbraw/zinc/20/27/33/435202733.db2.gz BNGGPNHJBARDIM-IBGZPJMESA-N 2 2 324.472 3.450 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccccc2)nc1 ZINC000532968395 435202738 /nfs/dbraw/zinc/20/27/38/435202738.db2.gz BNGGPNHJBARDIM-IBGZPJMESA-N 2 2 324.472 3.450 20 0 DGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000475698259 435207906 /nfs/dbraw/zinc/20/79/06/435207906.db2.gz NVUDLPLXDOTSNW-HNNXBMFYSA-N 2 2 322.880 3.057 20 0 DGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000475698259 435207908 /nfs/dbraw/zinc/20/79/08/435207908.db2.gz NVUDLPLXDOTSNW-HNNXBMFYSA-N 2 2 322.880 3.057 20 0 DGADLP CCc1nc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000580147514 435207924 /nfs/dbraw/zinc/20/79/24/435207924.db2.gz JVNXCQFTZFJDPS-UHFFFAOYSA-N 2 2 315.417 3.292 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019910 435204990 /nfs/dbraw/zinc/20/49/90/435204990.db2.gz FMJCZNKXMNITQD-CCLIWJKGSA-N 2 2 318.505 3.046 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019910 435204991 /nfs/dbraw/zinc/20/49/91/435204991.db2.gz FMJCZNKXMNITQD-CCLIWJKGSA-N 2 2 318.505 3.046 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019910 435204992 /nfs/dbraw/zinc/20/49/92/435204992.db2.gz FMJCZNKXMNITQD-CCLIWJKGSA-N 2 2 318.505 3.046 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019910 435204993 /nfs/dbraw/zinc/20/49/93/435204993.db2.gz FMJCZNKXMNITQD-CCLIWJKGSA-N 2 2 318.505 3.046 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000532246417 435150905 /nfs/dbraw/zinc/15/09/05/435150905.db2.gz KVFDNPDICLTWIR-MQIPJXDCSA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000532246417 435150909 /nfs/dbraw/zinc/15/09/09/435150909.db2.gz KVFDNPDICLTWIR-MQIPJXDCSA-N 2 2 308.853 3.482 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161767 435151033 /nfs/dbraw/zinc/15/10/33/435151033.db2.gz BOLONKSQUWPEPL-YSIASYRMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161767 435151041 /nfs/dbraw/zinc/15/10/41/435151041.db2.gz BOLONKSQUWPEPL-YSIASYRMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560161767 435151044 /nfs/dbraw/zinc/15/10/44/435151044.db2.gz BOLONKSQUWPEPL-YSIASYRMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560161767 435151048 /nfs/dbraw/zinc/15/10/48/435151048.db2.gz BOLONKSQUWPEPL-YSIASYRMSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532240218 435151900 /nfs/dbraw/zinc/15/19/00/435151900.db2.gz HVPZXMYZCWLBHH-JKSUJKDBSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240699 435152298 /nfs/dbraw/zinc/15/22/98/435152298.db2.gz OAEHNMSYQHSWHO-CZUORRHYSA-N 2 2 308.853 3.485 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474801825 435162276 /nfs/dbraw/zinc/16/22/76/435162276.db2.gz ZOROYBTZZNZHDQ-GJZGRUSLSA-N 2 2 312.885 3.390 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474801825 435162278 /nfs/dbraw/zinc/16/22/78/435162278.db2.gz ZOROYBTZZNZHDQ-GJZGRUSLSA-N 2 2 312.885 3.390 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000474818408 435162905 /nfs/dbraw/zinc/16/29/05/435162905.db2.gz TUHJXKRJPZXMQN-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000474818408 435162908 /nfs/dbraw/zinc/16/29/08/435162908.db2.gz TUHJXKRJPZXMQN-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000532440695 435165902 /nfs/dbraw/zinc/16/59/02/435165902.db2.gz FKIDZJPZGWCCCI-VQIMIIECSA-N 2 2 304.478 3.256 20 0 DGADLP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000532448291 435166032 /nfs/dbraw/zinc/16/60/32/435166032.db2.gz QQSLZUSYENVFPS-DNDYEEKYSA-N 2 2 322.415 3.075 20 0 DGADLP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+]1CCCC[C@H]1C ZINC000532448291 435166033 /nfs/dbraw/zinc/16/60/33/435166033.db2.gz QQSLZUSYENVFPS-DNDYEEKYSA-N 2 2 322.415 3.075 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)C)c2cc1C ZINC000532491382 435169847 /nfs/dbraw/zinc/16/98/47/435169847.db2.gz ZCQSMTITEMJGHD-HZPDHXFCSA-N 2 2 317.477 3.380 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)C)c2cc1C ZINC000532491382 435169849 /nfs/dbraw/zinc/16/98/49/435169849.db2.gz ZCQSMTITEMJGHD-HZPDHXFCSA-N 2 2 317.477 3.380 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574784 435180171 /nfs/dbraw/zinc/18/01/71/435180171.db2.gz OYFUQZLXSDXKBA-DYVFJYSZSA-N 2 2 317.864 3.367 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574784 435180173 /nfs/dbraw/zinc/18/01/73/435180173.db2.gz OYFUQZLXSDXKBA-DYVFJYSZSA-N 2 2 317.864 3.367 20 0 DGADLP CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475667430 435208766 /nfs/dbraw/zinc/20/87/66/435208766.db2.gz GOBNNAJWUJXVHW-OALUTQOASA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475667430 435208771 /nfs/dbraw/zinc/20/87/71/435208771.db2.gz GOBNNAJWUJXVHW-OALUTQOASA-N 2 2 318.505 3.428 20 0 DGADLP C[N@H+](CC1CCSCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639241188 435211518 /nfs/dbraw/zinc/21/15/18/435211518.db2.gz CFBMWHKBRDJERD-UHFFFAOYSA-N 2 2 324.456 3.478 20 0 DGADLP C[N@@H+](CC1CCSCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639241188 435211522 /nfs/dbraw/zinc/21/15/22/435211522.db2.gz CFBMWHKBRDJERD-UHFFFAOYSA-N 2 2 324.456 3.478 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000533310644 435227671 /nfs/dbraw/zinc/22/76/71/435227671.db2.gz PALKAWQJYHEFQC-UHFFFAOYSA-N 2 2 318.505 3.188 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000533310644 435227677 /nfs/dbraw/zinc/22/76/77/435227677.db2.gz PALKAWQJYHEFQC-UHFFFAOYSA-N 2 2 318.505 3.188 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820818 435247350 /nfs/dbraw/zinc/24/73/50/435247350.db2.gz QKFRIONGVLCIJW-MOPGFXCFSA-N 2 2 316.489 3.306 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820818 435247354 /nfs/dbraw/zinc/24/73/54/435247354.db2.gz QKFRIONGVLCIJW-MOPGFXCFSA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820818 435247358 /nfs/dbraw/zinc/24/73/58/435247358.db2.gz QKFRIONGVLCIJW-MOPGFXCFSA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820818 435247361 /nfs/dbraw/zinc/24/73/61/435247361.db2.gz QKFRIONGVLCIJW-MOPGFXCFSA-N 2 2 316.489 3.306 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533868252 435259510 /nfs/dbraw/zinc/25/95/10/435259510.db2.gz VWZAISFSJVNYCR-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533868252 435259517 /nfs/dbraw/zinc/25/95/17/435259517.db2.gz VWZAISFSJVNYCR-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000643075634 435264414 /nfs/dbraw/zinc/26/44/14/435264414.db2.gz STWQAWDHMWHHCJ-LBPRGKRZSA-N 2 2 306.784 3.404 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000534064237 435265392 /nfs/dbraw/zinc/26/53/92/435265392.db2.gz SXYBIJXQFLVKQC-UYTYNIKBSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCCC[C@H]1C ZINC000534064237 435265394 /nfs/dbraw/zinc/26/53/94/435265394.db2.gz SXYBIJXQFLVKQC-UYTYNIKBSA-N 2 2 306.494 3.187 20 0 DGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(OC)c1 ZINC000639374528 435271050 /nfs/dbraw/zinc/27/10/50/435271050.db2.gz GUQIFXJMDGLSLI-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP COc1ccc(OC)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639375016 435272017 /nfs/dbraw/zinc/27/20/17/435272017.db2.gz OVIDXEALAIUHME-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)n1 ZINC000639374131 435272802 /nfs/dbraw/zinc/27/28/02/435272802.db2.gz BALCKTUKSZNZIR-UHFFFAOYSA-N 2 2 317.477 3.157 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000639378096 435274331 /nfs/dbraw/zinc/27/43/31/435274331.db2.gz ADQSHTISEPZWKX-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534309397 435277859 /nfs/dbraw/zinc/27/78/59/435277859.db2.gz JEGHNKIARZLMPG-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000534309397 435277864 /nfs/dbraw/zinc/27/78/64/435277864.db2.gz JEGHNKIARZLMPG-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)CCO1 ZINC000648385182 435280870 /nfs/dbraw/zinc/28/08/70/435280870.db2.gz HSMITPAMUPUSHP-AEFFLSMTSA-N 2 2 317.477 3.116 20 0 DGADLP CC(C)O[C@@H](C[N@H+](C)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396866 435283927 /nfs/dbraw/zinc/28/39/27/435283927.db2.gz KRTGYWCCMCEEKX-OALUTQOASA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@@H](C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396866 435283932 /nfs/dbraw/zinc/28/39/32/435283932.db2.gz KRTGYWCCMCEEKX-OALUTQOASA-N 2 2 302.462 3.179 20 0 DGADLP C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)[C@H]1C[NH+]2CCC1CC2 ZINC000639392919 435284777 /nfs/dbraw/zinc/28/47/77/435284777.db2.gz OBTLKQBNBCSGBL-INIZCTEOSA-N 2 2 317.383 3.039 20 0 DGADLP C[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)[C@H]1C[NH+]2CCC1CC2 ZINC000639392919 435284784 /nfs/dbraw/zinc/28/47/84/435284784.db2.gz OBTLKQBNBCSGBL-INIZCTEOSA-N 2 2 317.383 3.039 20 0 DGADLP CC[N@H+](Cc1ccoc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249939 435285026 /nfs/dbraw/zinc/28/50/26/435285026.db2.gz CQVPUJHMAOYCOQ-UHFFFAOYSA-N 2 2 314.429 3.134 20 0 DGADLP CC[N@@H+](Cc1ccoc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249939 435285033 /nfs/dbraw/zinc/28/50/33/435285033.db2.gz CQVPUJHMAOYCOQ-UHFFFAOYSA-N 2 2 314.429 3.134 20 0 DGADLP C[N@H+](Cc1cc2cc(Cl)cnc2o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393033 435285772 /nfs/dbraw/zinc/28/57/72/435285772.db2.gz QBMKBUXTKITAPK-OAHLLOKOSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393033 435285776 /nfs/dbraw/zinc/28/57/76/435285776.db2.gz QBMKBUXTKITAPK-OAHLLOKOSA-N 2 2 305.809 3.007 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000648400643 435286773 /nfs/dbraw/zinc/28/67/73/435286773.db2.gz AIITWXUJXRVSEW-OTWHNJEPSA-N 2 2 302.462 3.371 20 0 DGADLP Brc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000584231526 435288522 /nfs/dbraw/zinc/28/85/22/435288522.db2.gz AKIMJFUSHQGYSM-OAHLLOKOSA-N 2 2 309.251 3.025 20 0 DGADLP Brc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000584231526 435288526 /nfs/dbraw/zinc/28/85/26/435288526.db2.gz AKIMJFUSHQGYSM-OAHLLOKOSA-N 2 2 309.251 3.025 20 0 DGADLP c1csc(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000567187748 435295957 /nfs/dbraw/zinc/29/59/57/435295957.db2.gz OTWKZSLRCJPIFS-UHFFFAOYSA-N 2 2 315.486 3.330 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCN(c3cccc(O)c3)CC2)c(C)[nH+]1 ZINC000639447908 435301808 /nfs/dbraw/zinc/30/18/08/435301808.db2.gz RWZCKBLIKQNIFA-UHFFFAOYSA-N 2 2 311.429 3.035 20 0 DGADLP COc1ccccc1SC[C@H](C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000567250673 435303469 /nfs/dbraw/zinc/30/34/69/435303469.db2.gz RQUBHVNMKBCDFG-CYBMUJFWSA-N 2 2 319.474 3.255 20 0 DGADLP CCCn1c2ccccc2[nH+]c1NCc1ccc(N(C)CC)[nH+]c1 ZINC000478579730 435304273 /nfs/dbraw/zinc/30/42/73/435304273.db2.gz MLHBVABKDMZKAS-UHFFFAOYSA-N 2 2 323.444 3.331 20 0 DGADLP C[C@@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC[C@H]1[NH3+] ZINC000643009799 435261539 /nfs/dbraw/zinc/26/15/39/435261539.db2.gz MIFCKRRTDVIVDX-CHWSQXEVSA-N 2 2 304.482 3.245 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000643075633 435264109 /nfs/dbraw/zinc/26/41/09/435264109.db2.gz STWQAWDHMWHHCJ-GFCCVEGCSA-N 2 2 306.784 3.404 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000648498650 435322250 /nfs/dbraw/zinc/32/22/50/435322250.db2.gz FEWMTOXDODGNDR-LSDHHAIUSA-N 2 2 301.434 3.053 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2Cc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000643453629 435327196 /nfs/dbraw/zinc/32/71/96/435327196.db2.gz NGZLGMLTSYZIFI-QMMLZNLJSA-N 2 2 322.452 3.418 20 0 DGADLP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456293 435327829 /nfs/dbraw/zinc/32/78/29/435327829.db2.gz BGFGKRGMQRXUFC-DFBGVHRSSA-N 2 2 316.367 3.123 20 0 DGADLP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)c2[nH+]ccn21 ZINC000567604326 435333348 /nfs/dbraw/zinc/33/33/48/435333348.db2.gz RAAOICZUGHRJQZ-XWIAVFTESA-N 2 2 306.413 3.332 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CCO2 ZINC000643481734 435334417 /nfs/dbraw/zinc/33/44/17/435334417.db2.gz QFYDTIOQTUGKTB-OKZBNKHCSA-N 2 2 310.397 3.253 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000643501163 435336478 /nfs/dbraw/zinc/33/64/78/435336478.db2.gz YMJJKWZHULQATH-YPMHNXCESA-N 2 2 314.376 3.089 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1OCC ZINC000643501025 435337317 /nfs/dbraw/zinc/33/73/17/435337317.db2.gz QCNVUSWQLZIBHF-GDBMZVCRSA-N 2 2 306.450 3.277 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000643501601 435338831 /nfs/dbraw/zinc/33/88/31/435338831.db2.gz LUURRZJNGHAQPO-BBRMVZONSA-N 2 2 316.424 3.113 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000643508403 435338953 /nfs/dbraw/zinc/33/89/53/435338953.db2.gz DOPCQUPSVVODNV-SFHVURJKSA-N 2 2 301.409 3.288 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544141 435339032 /nfs/dbraw/zinc/33/90/32/435339032.db2.gz UTAVATXULXETDF-PXNSSMCTSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000639544141 435339038 /nfs/dbraw/zinc/33/90/38/435339038.db2.gz UTAVATXULXETDF-PXNSSMCTSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000639544141 435339043 /nfs/dbraw/zinc/33/90/43/435339043.db2.gz UTAVATXULXETDF-PXNSSMCTSA-N 2 2 313.489 3.456 20 0 DGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000639544141 435339049 /nfs/dbraw/zinc/33/90/49/435339049.db2.gz UTAVATXULXETDF-PXNSSMCTSA-N 2 2 313.489 3.456 20 0 DGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cc(F)cc(Br)c1 ZINC000643506618 435340103 /nfs/dbraw/zinc/34/01/03/435340103.db2.gz DFZQHGKQFDNSMQ-AWEZNQCLSA-N 2 2 315.230 3.381 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1Cl ZINC000643527967 435342865 /nfs/dbraw/zinc/34/28/65/435342865.db2.gz WJHSEBBUNUQBCO-UFBFGSQYSA-N 2 2 305.647 3.490 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000643526530 435343447 /nfs/dbraw/zinc/34/34/47/435343447.db2.gz AQFGLPXRLIHGLR-LRDDRELGSA-N 2 2 306.356 3.314 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1OC ZINC000643537333 435346907 /nfs/dbraw/zinc/34/69/07/435346907.db2.gz FKDZRKVMFOMDEO-OBJOEFQTSA-N 2 2 300.805 3.089 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)cc1 ZINC000643537857 435347698 /nfs/dbraw/zinc/34/76/98/435347698.db2.gz SIIVXVAYKJNKFN-IHRRRGAJSA-N 2 2 315.230 3.190 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000643543300 435350520 /nfs/dbraw/zinc/35/05/20/435350520.db2.gz QYVBBLFDQOPXCZ-ZYSHUDEJSA-N 2 2 310.441 3.410 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423316969 298543311 /nfs/dbraw/zinc/54/33/11/298543311.db2.gz BVSQTEWWUMIJMV-OQPBUACISA-N 2 2 317.658 3.490 20 0 DGADLP C[C@H]([NH2+]CC(=O)c1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581817 435355276 /nfs/dbraw/zinc/35/52/76/435355276.db2.gz YZAIKFMUBXFJHK-GJZGRUSLSA-N 2 2 318.436 3.251 20 0 DGADLP C[C@H]([NH2+]CC(=O)c1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581817 435355283 /nfs/dbraw/zinc/35/52/83/435355283.db2.gz YZAIKFMUBXFJHK-GJZGRUSLSA-N 2 2 318.436 3.251 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC000639590799 435358442 /nfs/dbraw/zinc/35/84/42/435358442.db2.gz KDOQPYRISQITOL-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC000639590799 435358446 /nfs/dbraw/zinc/35/84/46/435358446.db2.gz KDOQPYRISQITOL-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000480023886 435362772 /nfs/dbraw/zinc/36/27/72/435362772.db2.gz YKPWSWOIAULYKL-HKUYNNGSSA-N 2 2 304.478 3.311 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C1 ZINC000512567958 435362983 /nfs/dbraw/zinc/36/29/83/435362983.db2.gz DSZARQSFPUOTMB-CZUORRHYSA-N 2 2 305.853 3.225 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C1 ZINC000512567958 435362987 /nfs/dbraw/zinc/36/29/87/435362987.db2.gz DSZARQSFPUOTMB-CZUORRHYSA-N 2 2 305.853 3.225 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567870954 435364035 /nfs/dbraw/zinc/36/40/35/435364035.db2.gz AJAAGXDDPQWYEH-QUCCMNQESA-N 2 2 322.452 3.307 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000567870954 435364040 /nfs/dbraw/zinc/36/40/40/435364040.db2.gz AJAAGXDDPQWYEH-QUCCMNQESA-N 2 2 322.452 3.307 20 0 DGADLP Cc1ccc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000639794595 435424157 /nfs/dbraw/zinc/42/41/57/435424157.db2.gz AISXUZVAMGVSJM-UHFFFAOYSA-N 2 2 316.449 3.181 20 0 DGADLP CC[C@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481041918 435406918 /nfs/dbraw/zinc/40/69/18/435406918.db2.gz BGFNPXVSKSJNMA-RTBURBONSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000568250130 435414696 /nfs/dbraw/zinc/41/46/96/435414696.db2.gz GZUXTBAQAOUFLP-HNNXBMFYSA-N 2 2 311.433 3.010 20 0 DGADLP Cc1[nH]c(CNC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC000568269349 435416163 /nfs/dbraw/zinc/41/61/63/435416163.db2.gz IPKITIWEHUOIHG-GOSISDBHSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CNC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC000568269349 435416165 /nfs/dbraw/zinc/41/61/65/435416165.db2.gz IPKITIWEHUOIHG-GOSISDBHSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000568273460 435419451 /nfs/dbraw/zinc/41/94/51/435419451.db2.gz SAOBLRANDNZQFX-YOEHRIQHSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000568273460 435419457 /nfs/dbraw/zinc/41/94/57/435419457.db2.gz SAOBLRANDNZQFX-YOEHRIQHSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH+]c1C ZINC000568273460 435419461 /nfs/dbraw/zinc/41/94/61/435419461.db2.gz SAOBLRANDNZQFX-YOEHRIQHSA-N 2 2 318.490 3.261 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000480254226 435372444 /nfs/dbraw/zinc/37/24/44/435372444.db2.gz MWCJMBOWMZRRIN-RBSFLKMASA-N 2 2 310.869 3.490 20 0 DGADLP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000567981171 435376923 /nfs/dbraw/zinc/37/69/23/435376923.db2.gz RAVGENWOZYEENP-SJORKVTESA-N 2 2 308.853 3.071 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000643883567 435377405 /nfs/dbraw/zinc/37/74/05/435377405.db2.gz LDSPELHEKYQKIN-LJQANCHMSA-N 2 2 308.510 3.436 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C)[nH+]1 ZINC000639650238 435380125 /nfs/dbraw/zinc/38/01/25/435380125.db2.gz TXBGITXOEIINNH-OAHLLOKOSA-N 2 2 304.825 3.304 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(C)[nH+]1 ZINC000639650238 435380130 /nfs/dbraw/zinc/38/01/30/435380130.db2.gz TXBGITXOEIINNH-OAHLLOKOSA-N 2 2 304.825 3.304 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000513377961 435386724 /nfs/dbraw/zinc/38/67/24/435386724.db2.gz XUGUOFCTHWDDLI-LJQANCHMSA-N 2 2 316.489 3.156 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000513377961 435386729 /nfs/dbraw/zinc/38/67/29/435386729.db2.gz XUGUOFCTHWDDLI-LJQANCHMSA-N 2 2 316.489 3.156 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)cc1OC ZINC000480743077 435393118 /nfs/dbraw/zinc/39/31/18/435393118.db2.gz YLPLWFHGTBXXKJ-YQQAZPJKSA-N 2 2 320.477 3.475 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000480743077 435393123 /nfs/dbraw/zinc/39/31/23/435393123.db2.gz YLPLWFHGTBXXKJ-YQQAZPJKSA-N 2 2 320.477 3.475 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000480793400 435395527 /nfs/dbraw/zinc/39/55/27/435395527.db2.gz DUWSZRINUQPZBS-QFBILLFUSA-N 2 2 322.468 3.237 20 0 DGADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000480821267 435396435 /nfs/dbraw/zinc/39/64/35/435396435.db2.gz AMMFFBDIZJEVJG-DBVUQKKJSA-N 2 2 318.505 3.210 20 0 DGADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000480821267 435396441 /nfs/dbraw/zinc/39/64/41/435396441.db2.gz AMMFFBDIZJEVJG-DBVUQKKJSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715991 435397447 /nfs/dbraw/zinc/39/74/47/435397447.db2.gz KYPKTOBQEVQWTE-DOTOQJQBSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715991 435397454 /nfs/dbraw/zinc/39/74/54/435397454.db2.gz KYPKTOBQEVQWTE-DOTOQJQBSA-N 2 2 304.478 3.179 20 0 DGADLP CCCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000481989018 435448449 /nfs/dbraw/zinc/44/84/49/435448449.db2.gz HSWXOWLUNMIMTL-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP CCCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000481989018 435448451 /nfs/dbraw/zinc/44/84/51/435448451.db2.gz HSWXOWLUNMIMTL-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP COc1ccccc1OCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981655 435480527 /nfs/dbraw/zinc/48/05/27/435480527.db2.gz NVXWIEUMRBFLRK-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000514971702 435450239 /nfs/dbraw/zinc/45/02/39/435450239.db2.gz CGBGPNKNYBZSJU-KBXCAEBGSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000514971702 435450243 /nfs/dbraw/zinc/45/02/43/435450243.db2.gz CGBGPNKNYBZSJU-KBXCAEBGSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000514971702 435450248 /nfs/dbraw/zinc/45/02/48/435450248.db2.gz CGBGPNKNYBZSJU-KBXCAEBGSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000514971702 435450252 /nfs/dbraw/zinc/45/02/52/435450252.db2.gz CGBGPNKNYBZSJU-KBXCAEBGSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000514971704 435451127 /nfs/dbraw/zinc/45/11/27/435451127.db2.gz CGBGPNKNYBZSJU-KSSFIOAISA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000514971704 435451129 /nfs/dbraw/zinc/45/11/29/435451129.db2.gz CGBGPNKNYBZSJU-KSSFIOAISA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000514971704 435451133 /nfs/dbraw/zinc/45/11/33/435451133.db2.gz CGBGPNKNYBZSJU-KSSFIOAISA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000514971704 435451135 /nfs/dbraw/zinc/45/11/35/435451135.db2.gz CGBGPNKNYBZSJU-KSSFIOAISA-N 2 2 313.445 3.015 20 0 DGADLP CC1(C)CC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000537614509 435454329 /nfs/dbraw/zinc/45/43/29/435454329.db2.gz NSSJTUAPNPLVAR-LBPRGKRZSA-N 2 2 308.389 3.201 20 0 DGADLP C[C@@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000568740641 435466730 /nfs/dbraw/zinc/46/67/30/435466730.db2.gz PWNUXFIBCDOIRR-PXAZEXFGSA-N 2 2 318.852 3.101 20 0 DGADLP CC(C)c1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[nH]1 ZINC000644656765 435480129 /nfs/dbraw/zinc/48/01/29/435480129.db2.gz SVLVFPBKZRTVTD-UHFFFAOYSA-N 2 2 319.497 3.016 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000569256803 435517764 /nfs/dbraw/zinc/51/77/64/435517764.db2.gz RXISOPSUTYBHDE-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000569256803 435517769 /nfs/dbraw/zinc/51/77/69/435517769.db2.gz RXISOPSUTYBHDE-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000569256728 435518121 /nfs/dbraw/zinc/51/81/21/435518121.db2.gz RXISOPSUTYBHDE-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000569256728 435518128 /nfs/dbraw/zinc/51/81/28/435518128.db2.gz RXISOPSUTYBHDE-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c[nH+]1 ZINC000569276287 435519198 /nfs/dbraw/zinc/51/91/98/435519198.db2.gz ODYYNFLGDKYMID-LJQANCHMSA-N 2 2 315.436 3.354 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCCC2(C)C)c(C)[nH+]1 ZINC000640140924 435524131 /nfs/dbraw/zinc/52/41/31/435524131.db2.gz AFPRNSISUBKTEJ-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[N@H+]2CCCC2(C)C)c(C)[nH+]1 ZINC000640140924 435524136 /nfs/dbraw/zinc/52/41/36/435524136.db2.gz AFPRNSISUBKTEJ-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP CCc1nc(C)c(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)o1 ZINC000639985615 435483357 /nfs/dbraw/zinc/48/33/57/435483357.db2.gz CDMNMOGNGHQRFX-UHFFFAOYSA-N 2 2 305.466 3.386 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000569074002 435499152 /nfs/dbraw/zinc/49/91/52/435499152.db2.gz SUEPMFNWFZXGFF-WTLGNFPFSA-N 2 2 304.478 3.397 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000516774197 435551964 /nfs/dbraw/zinc/55/19/64/435551964.db2.gz IMCXFJSXSNUXNM-OAHLLOKOSA-N 2 2 314.433 3.315 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000569735253 435556459 /nfs/dbraw/zinc/55/64/59/435556459.db2.gz QBTFHBHBFUNILY-ROUUACIJSA-N 2 2 309.542 3.207 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000569735253 435556463 /nfs/dbraw/zinc/55/64/63/435556463.db2.gz QBTFHBHBFUNILY-ROUUACIJSA-N 2 2 309.542 3.207 20 0 DGADLP C[N@H+](CCOC(c1ccccc1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000569811315 435563371 /nfs/dbraw/zinc/56/33/71/435563371.db2.gz RYEDZUNLRZCWAW-LJQANCHMSA-N 2 2 310.441 3.086 20 0 DGADLP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000569811315 435563375 /nfs/dbraw/zinc/56/33/75/435563375.db2.gz RYEDZUNLRZCWAW-LJQANCHMSA-N 2 2 310.441 3.086 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@H]1[NH3+] ZINC000649416845 435582970 /nfs/dbraw/zinc/58/29/70/435582970.db2.gz NPPIQMZMEYQEDD-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@H]1[NH3+] ZINC000649416845 435582973 /nfs/dbraw/zinc/58/29/73/435582973.db2.gz NPPIQMZMEYQEDD-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@H]1[NH3+] ZINC000649416530 435583409 /nfs/dbraw/zinc/58/34/09/435583409.db2.gz CVVXRQGMDLOUAN-TZMCWYRMSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@H]1[NH3+] ZINC000649416530 435583415 /nfs/dbraw/zinc/58/34/15/435583415.db2.gz CVVXRQGMDLOUAN-TZMCWYRMSA-N 2 2 305.447 3.271 20 0 DGADLP C[NH+]1CCC([NH2+][C@H](COc2ccccc2)c2ccccc2)CC1 ZINC000539069036 435537898 /nfs/dbraw/zinc/53/78/98/435537898.db2.gz MGFHXBGGTNZRIE-HXUWFJFHSA-N 2 2 310.441 3.491 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C12CCCCC2 ZINC000539124301 435539064 /nfs/dbraw/zinc/53/90/64/435539064.db2.gz OZZDUARGPXTSGR-XOYOTBSWSA-N 2 2 306.494 3.187 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C12CCCCC2 ZINC000539124301 435539067 /nfs/dbraw/zinc/53/90/67/435539067.db2.gz OZZDUARGPXTSGR-XOYOTBSWSA-N 2 2 306.494 3.187 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000484152036 435539683 /nfs/dbraw/zinc/53/96/83/435539683.db2.gz NJFOPTLRZGVUAE-SJORKVTESA-N 2 2 304.478 3.429 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1cc2c(s1)CCCC2)C[NH+]1CCOCC1 ZINC000484163831 435540213 /nfs/dbraw/zinc/54/02/13/435540213.db2.gz BSTQJVMAZHAXJC-GJZGRUSLSA-N 2 2 322.518 3.246 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163424 435542519 /nfs/dbraw/zinc/54/25/19/435542519.db2.gz FSBLBNYSCKWOTN-PMACEKPBSA-N 2 2 316.489 3.393 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000539163424 435542525 /nfs/dbraw/zinc/54/25/25/435542525.db2.gz FSBLBNYSCKWOTN-PMACEKPBSA-N 2 2 316.489 3.393 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCSC1 ZINC000484476714 435545830 /nfs/dbraw/zinc/54/58/30/435545830.db2.gz WHVNKOAVQMFSNW-ROUUACIJSA-N 2 2 304.503 3.035 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592180 435607777 /nfs/dbraw/zinc/60/77/77/435607777.db2.gz UJEFHMHXPOUDDT-KBAYOESNSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592180 435607782 /nfs/dbraw/zinc/60/77/82/435607782.db2.gz UJEFHMHXPOUDDT-KBAYOESNSA-N 2 2 306.494 3.331 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547594 435621591 /nfs/dbraw/zinc/62/15/91/435621591.db2.gz XLODVMONWNKTET-RDJZCZTQSA-N 2 2 305.466 3.173 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547594 435621593 /nfs/dbraw/zinc/62/15/93/435621593.db2.gz XLODVMONWNKTET-RDJZCZTQSA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547594 435621595 /nfs/dbraw/zinc/62/15/95/435621595.db2.gz XLODVMONWNKTET-RDJZCZTQSA-N 2 2 305.466 3.173 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)C[C@@H]1C ZINC000649547594 435621598 /nfs/dbraw/zinc/62/15/98/435621598.db2.gz XLODVMONWNKTET-RDJZCZTQSA-N 2 2 305.466 3.173 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570607595 435634304 /nfs/dbraw/zinc/63/43/04/435634304.db2.gz FDGRJFIYFMKRRI-NEPJUHHUSA-N 2 2 305.372 3.156 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570607595 435634307 /nfs/dbraw/zinc/63/43/07/435634307.db2.gz FDGRJFIYFMKRRI-NEPJUHHUSA-N 2 2 305.372 3.156 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000570162995 435594631 /nfs/dbraw/zinc/59/46/31/435594631.db2.gz XUJVGEMJWMCGHJ-ZBFHGGJFSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000570162995 435594636 /nfs/dbraw/zinc/59/46/36/435594636.db2.gz XUJVGEMJWMCGHJ-ZBFHGGJFSA-N 2 2 305.491 3.375 20 0 DGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214683 435595314 /nfs/dbraw/zinc/59/53/14/435595314.db2.gz WVKFVAKUIYSGOQ-YVWKXTFCSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214683 435595318 /nfs/dbraw/zinc/59/53/18/435595318.db2.gz WVKFVAKUIYSGOQ-YVWKXTFCSA-N 2 2 316.489 3.180 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540301382 435595629 /nfs/dbraw/zinc/59/56/29/435595629.db2.gz IVHYKGJMVIRSTJ-GOSISDBHSA-N 2 2 308.441 3.225 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540301382 435595631 /nfs/dbraw/zinc/59/56/31/435595631.db2.gz IVHYKGJMVIRSTJ-GOSISDBHSA-N 2 2 308.441 3.225 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCc3cn4c(cccc4C)[nH+]3)c2c1C ZINC000645421759 435641256 /nfs/dbraw/zinc/64/12/56/435641256.db2.gz VVPZDINAITWUOD-UHFFFAOYSA-N 2 2 320.400 3.185 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641113051 435693677 /nfs/dbraw/zinc/69/36/77/435693677.db2.gz VGDMBVHHVGWAOO-UHFFFAOYSA-N 2 2 321.428 3.279 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000641112871 435694138 /nfs/dbraw/zinc/69/41/38/435694138.db2.gz RZOSIZFPCQQMLZ-IBGZPJMESA-N 2 2 321.428 3.201 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655716167 435741848 /nfs/dbraw/zinc/74/18/48/435741848.db2.gz QUIOGTYVRKILFM-CVEARBPZSA-N 2 2 319.518 3.443 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000660435516 435745796 /nfs/dbraw/zinc/74/57/96/435745796.db2.gz MIBTYTJVHZCIKE-QZTJIDSGSA-N 2 2 304.434 3.130 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000660435516 435745802 /nfs/dbraw/zinc/74/58/02/435745802.db2.gz MIBTYTJVHZCIKE-QZTJIDSGSA-N 2 2 304.434 3.130 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(C)c1F ZINC000655720025 435746375 /nfs/dbraw/zinc/74/63/75/435746375.db2.gz NRMNYGYYCPZDJF-YJBOKZPZSA-N 2 2 320.452 3.346 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655719111 435746727 /nfs/dbraw/zinc/74/67/27/435746727.db2.gz QVDBLVWEIBFNMC-BHIYHBOVSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655719111 435746735 /nfs/dbraw/zinc/74/67/35/435746735.db2.gz QVDBLVWEIBFNMC-BHIYHBOVSA-N 2 2 324.472 3.218 20 0 DGADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccn1 ZINC000655732427 435757329 /nfs/dbraw/zinc/75/73/29/435757329.db2.gz BETANBKEYCWTMK-HKUYNNGSSA-N 2 2 317.477 3.012 20 0 DGADLP Fc1cccc(F)c1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000645894949 435713813 /nfs/dbraw/zinc/71/38/13/435713813.db2.gz PFEKJQBSLXQDJQ-CQSZACIVSA-N 2 2 304.340 3.056 20 0 DGADLP Fc1cccc(F)c1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000645894949 435713817 /nfs/dbraw/zinc/71/38/17/435713817.db2.gz PFEKJQBSLXQDJQ-CQSZACIVSA-N 2 2 304.340 3.056 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C2 ZINC000491258402 435721212 /nfs/dbraw/zinc/72/12/12/435721212.db2.gz DASKUIHYNQXJMV-PDOICOKGSA-N 2 2 316.489 3.317 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C2 ZINC000491258402 435721217 /nfs/dbraw/zinc/72/12/17/435721217.db2.gz DASKUIHYNQXJMV-PDOICOKGSA-N 2 2 316.489 3.317 20 0 DGADLP Fc1cc(C2CC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655769771 435787510 /nfs/dbraw/zinc/78/75/10/435787510.db2.gz ONOYFPLYMDVNHT-GOSISDBHSA-N 2 2 318.436 3.046 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000550095789 435792016 /nfs/dbraw/zinc/79/20/16/435792016.db2.gz DOYCBAAEIUFEMC-SQNIBIBYSA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000550095789 435792021 /nfs/dbraw/zinc/79/20/21/435792021.db2.gz DOYCBAAEIUFEMC-SQNIBIBYSA-N 2 2 324.509 3.210 20 0 DGADLP CCn1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000641715258 435796025 /nfs/dbraw/zinc/79/60/25/435796025.db2.gz TYVAUROPIRMCJI-INIZCTEOSA-N 2 2 323.444 3.192 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000550199808 435796872 /nfs/dbraw/zinc/79/68/72/435796872.db2.gz NJVNDEXDDWQQHS-QZTJIDSGSA-N 2 2 322.493 3.130 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000550199808 435796879 /nfs/dbraw/zinc/79/68/79/435796879.db2.gz NJVNDEXDDWQQHS-QZTJIDSGSA-N 2 2 322.493 3.130 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cn4ccccc4n3)cn21 ZINC000655792645 435798861 /nfs/dbraw/zinc/79/88/61/435798861.db2.gz NOFQWSXHVNTEEE-OAHLLOKOSA-N 2 2 319.412 3.184 20 0 DGADLP CCCOc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1OCC ZINC000655790875 435800498 /nfs/dbraw/zinc/80/04/98/435800498.db2.gz WVVSNZMHEPWSIP-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000651767748 435821702 /nfs/dbraw/zinc/82/17/02/435821702.db2.gz KGRVNPJSNANFIP-DGCLKSJQSA-N 2 2 305.784 3.268 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000651736192 435810967 /nfs/dbraw/zinc/81/09/67/435810967.db2.gz PUZKYPZAJATHIK-MGPUTAFESA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000651736192 435810972 /nfs/dbraw/zinc/81/09/72/435810972.db2.gz PUZKYPZAJATHIK-MGPUTAFESA-N 2 2 324.472 3.061 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H](C3CC3)[C@H]3CCCCO3)c2)c[nH+]1 ZINC000655810497 435817513 /nfs/dbraw/zinc/81/75/13/435817513.db2.gz DXRLHFAGNFBQOP-IAGOWNOFSA-N 2 2 317.458 3.371 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641776878 435819691 /nfs/dbraw/zinc/81/96/91/435819691.db2.gz XURWNMQOTNPYLS-LJQANCHMSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655743459 435763987 /nfs/dbraw/zinc/76/39/87/435763987.db2.gz ITICJQWDDGKIQZ-MAUKXSAKSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655743459 435763994 /nfs/dbraw/zinc/76/39/94/435763994.db2.gz ITICJQWDDGKIQZ-MAUKXSAKSA-N 2 2 312.461 3.061 20 0 DGADLP c1ccc(CCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472886 435764783 /nfs/dbraw/zinc/76/47/83/435764783.db2.gz AUYYBIUKKZAGME-HXUWFJFHSA-N 2 2 316.489 3.196 20 0 DGADLP c1ccc(CCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660472886 435764790 /nfs/dbraw/zinc/76/47/90/435764790.db2.gz AUYYBIUKKZAGME-HXUWFJFHSA-N 2 2 316.489 3.196 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473674 435766029 /nfs/dbraw/zinc/76/60/29/435766029.db2.gz SJQHVQCUDCXGAI-ZBFHGGJFSA-N 2 2 324.415 3.213 20 0 DGADLP Clc1ccccc1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472206 435766445 /nfs/dbraw/zinc/76/64/45/435766445.db2.gz IDMBBSPFLGQYSI-KRWDZBQOSA-N 2 2 322.880 3.069 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCn2ccnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655752064 435772008 /nfs/dbraw/zinc/77/20/08/435772008.db2.gz HVAIAUHOKDFTNC-WDSOQIARSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCn2ccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655752064 435772017 /nfs/dbraw/zinc/77/20/17/435772017.db2.gz HVAIAUHOKDFTNC-WDSOQIARSA-N 2 2 324.472 3.218 20 0 DGADLP c1cn(CCCC[NH2+]Cc2conc2Cc2ccccc2)c[nH+]1 ZINC000549722755 435773807 /nfs/dbraw/zinc/77/38/07/435773807.db2.gz DBHQXCBBPJNGIB-UHFFFAOYSA-N 2 2 310.401 3.032 20 0 DGADLP c1[nH+]c2c(cc1NC1CC[NH+](C[C@@H]3CCCO3)CC1)CCCC2 ZINC000655751928 435774465 /nfs/dbraw/zinc/77/44/65/435774465.db2.gz RJWZAADPJSVVNK-SFHVURJKSA-N 2 2 315.461 3.016 20 0 DGADLP Clc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000655753922 435775634 /nfs/dbraw/zinc/77/56/34/435775634.db2.gz DIGBBHZJUTZJHS-UHFFFAOYSA-N 2 2 317.658 3.288 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3conc3C)C2)s1 ZINC000660496109 435777022 /nfs/dbraw/zinc/77/70/22/435777022.db2.gz FDQDEPYEIBTDCL-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3conc3C)C2)s1 ZINC000660496109 435777028 /nfs/dbraw/zinc/77/70/28/435777028.db2.gz FDQDEPYEIBTDCL-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3conc3C)C2)s1 ZINC000660496109 435777033 /nfs/dbraw/zinc/77/70/33/435777033.db2.gz FDQDEPYEIBTDCL-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3conc3C)C2)s1 ZINC000660496109 435777038 /nfs/dbraw/zinc/77/70/38/435777038.db2.gz FDQDEPYEIBTDCL-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP C[NH+](C)C[C@@H](N[C@H]1CCCn2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000655766611 435783985 /nfs/dbraw/zinc/78/39/85/435783985.db2.gz SJCSCTFCEPGBES-JKSUJKDBSA-N 2 2 318.852 3.264 20 0 DGADLP COc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1C ZINC000572131431 435786120 /nfs/dbraw/zinc/78/61/20/435786120.db2.gz AZKGTBPWNZKCNF-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cs2)cc1 ZINC000641802468 435828866 /nfs/dbraw/zinc/82/88/66/435828866.db2.gz LKZXHGPDFPYYPW-CABCVRRESA-N 2 2 317.458 3.034 20 0 DGADLP c1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799534 435829791 /nfs/dbraw/zinc/82/97/91/435829791.db2.gz WSDWVAAJBYDIFX-HIFRSBDPSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799534 435829797 /nfs/dbraw/zinc/82/97/97/435829797.db2.gz WSDWVAAJBYDIFX-HIFRSBDPSA-N 2 2 301.459 3.260 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000655836232 435830820 /nfs/dbraw/zinc/83/08/20/435830820.db2.gz GDMAQONUXLWUAF-SQGPQFPESA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000655836232 435830825 /nfs/dbraw/zinc/83/08/25/435830825.db2.gz GDMAQONUXLWUAF-SQGPQFPESA-N 2 2 309.457 3.123 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655849316 435837946 /nfs/dbraw/zinc/83/79/46/435837946.db2.gz NQHAIRZVHFLOAK-XIRDDKMYSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655849316 435837950 /nfs/dbraw/zinc/83/79/50/435837950.db2.gz NQHAIRZVHFLOAK-XIRDDKMYSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655849914 435838818 /nfs/dbraw/zinc/83/88/18/435838818.db2.gz QUNXOBUPUQYPEL-WBAXXEDZSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655849914 435838821 /nfs/dbraw/zinc/83/88/21/435838821.db2.gz QUNXOBUPUQYPEL-WBAXXEDZSA-N 2 2 318.461 3.371 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000651846183 435845557 /nfs/dbraw/zinc/84/55/57/435845557.db2.gz IPKMDIGCNDFNTF-INIZCTEOSA-N 2 2 303.450 3.226 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC000660661682 435848256 /nfs/dbraw/zinc/84/82/56/435848256.db2.gz FFPKPFLGTSRONN-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC000660661682 435848265 /nfs/dbraw/zinc/84/82/65/435848265.db2.gz FFPKPFLGTSRONN-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1Cl ZINC000660661682 435848271 /nfs/dbraw/zinc/84/82/71/435848271.db2.gz FFPKPFLGTSRONN-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000660661682 435848280 /nfs/dbraw/zinc/84/82/80/435848280.db2.gz FFPKPFLGTSRONN-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCCO1 ZINC000655857856 435848701 /nfs/dbraw/zinc/84/87/01/435848701.db2.gz XCJYAZJEJMVUNL-HOTGVXAUSA-N 2 2 305.447 3.371 20 0 DGADLP Cc1cc[nH+]cc1Cc1noc([C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000664985168 435863338 /nfs/dbraw/zinc/86/33/38/435863338.db2.gz QQLHHVWNHXRCOX-MCIONIFRSA-N 2 2 300.406 3.298 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572879690 435878934 /nfs/dbraw/zinc/87/89/34/435878934.db2.gz SETDVBISAIZDDC-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572879690 435878936 /nfs/dbraw/zinc/87/89/36/435878936.db2.gz SETDVBISAIZDDC-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]C3CCC(O)CC3)ccc2n1C1CC1 ZINC000552052730 435877206 /nfs/dbraw/zinc/87/72/06/435877206.db2.gz AZIISMWMYBIQFJ-UHFFFAOYSA-N 2 2 313.445 3.327 20 0 DGADLP Fc1ccc(/C=C\C[NH2+]Cc2c[nH+]c3n2CCCC3)c(F)c1 ZINC000551220822 435824127 /nfs/dbraw/zinc/82/41/27/435824127.db2.gz HIIQBFIWTAMVBN-ARJAWSKDSA-N 2 2 303.356 3.301 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccn1 ZINC000572423013 435826148 /nfs/dbraw/zinc/82/61/48/435826148.db2.gz OKYIBUICYKELMM-OAHLLOKOSA-N 2 2 322.412 3.186 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660770133 435887661 /nfs/dbraw/zinc/88/76/61/435887661.db2.gz ANFRHPYTICOMHR-UHFFFAOYSA-N 2 2 311.429 3.060 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660770133 435887668 /nfs/dbraw/zinc/88/76/68/435887668.db2.gz ANFRHPYTICOMHR-UHFFFAOYSA-N 2 2 311.429 3.060 20 0 DGADLP CC[NH+](CC)Cc1ccc(CNc2nc[nH+]c(C)c2OC)cc1 ZINC000656106715 435890173 /nfs/dbraw/zinc/89/01/73/435890173.db2.gz ZEFWHIHNUYBCMY-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP Cc1[nH+]cc(CN(C)CC[NH+]2CCCCC2)n1-c1ccccc1 ZINC000652057382 435898905 /nfs/dbraw/zinc/89/89/05/435898905.db2.gz CGLMEAQXMXPCSU-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP c1ccc(OCCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000656279653 435936175 /nfs/dbraw/zinc/93/61/75/435936175.db2.gz YIMMOYDDKPMXIE-RTBURBONSA-N 2 2 302.462 3.452 20 0 DGADLP c1ccc(OCCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000656279653 435936180 /nfs/dbraw/zinc/93/61/80/435936180.db2.gz YIMMOYDDKPMXIE-RTBURBONSA-N 2 2 302.462 3.452 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](C[C@H]4CCCCO4)CC3)[nH]c2c1 ZINC000660852841 435910069 /nfs/dbraw/zinc/91/00/69/435910069.db2.gz JCUQSNGLMKXMGY-MRXNPFEDSA-N 2 2 313.445 3.387 20 0 DGADLP Cc1nc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)co1 ZINC000660857785 435910830 /nfs/dbraw/zinc/91/08/30/435910830.db2.gz VWOFGSHBUAFGIU-UHFFFAOYSA-N 2 2 310.401 3.314 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656254549 435925848 /nfs/dbraw/zinc/92/58/48/435925848.db2.gz BDWWSHLKWFUVSA-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000656254549 435925850 /nfs/dbraw/zinc/92/58/50/435925850.db2.gz BDWWSHLKWFUVSA-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656254549 435925852 /nfs/dbraw/zinc/92/58/52/435925852.db2.gz BDWWSHLKWFUVSA-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656254549 435925856 /nfs/dbraw/zinc/92/58/56/435925856.db2.gz BDWWSHLKWFUVSA-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000665249908 435927940 /nfs/dbraw/zinc/92/79/40/435927940.db2.gz AYAZMFKJCLVNSZ-CWFSZBLJSA-N 2 2 310.441 3.492 20 0 DGADLP c1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]cc1C1CCC1 ZINC000656262944 435929511 /nfs/dbraw/zinc/92/95/11/435929511.db2.gz WBIZBTQCNOHEEI-GOSISDBHSA-N 2 2 315.461 3.404 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252686 435929948 /nfs/dbraw/zinc/92/99/48/435929948.db2.gz WLKFETLFCFIBTH-XFQXTVEOSA-N 2 2 312.432 3.492 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H](C)c1cc(C)n(C)n1)C1CCCCC1 ZINC000652238165 435931519 /nfs/dbraw/zinc/93/15/19/435931519.db2.gz VUJBXKBXESUYQE-MRXNPFEDSA-N 2 2 306.498 3.424 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H](C)c1cc(C)n(C)n1)C1CCCCC1 ZINC000652238165 435931522 /nfs/dbraw/zinc/93/15/22/435931522.db2.gz VUJBXKBXESUYQE-MRXNPFEDSA-N 2 2 306.498 3.424 20 0 DGADLP COc1ccc(-c2cc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])on2)cc1 ZINC000665261843 435932685 /nfs/dbraw/zinc/93/26/85/435932685.db2.gz MYYQWCYAIYIJLS-IAGOWNOFSA-N 2 2 315.417 3.100 20 0 DGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(SCC(F)F)cc1 ZINC000665277417 435935338 /nfs/dbraw/zinc/93/53/38/435935338.db2.gz BAVVDSISMZKUQY-OPGSHWCFSA-N 2 2 312.429 3.446 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]CCc2cc[nH+]cc2C)cn1 ZINC000647196714 435970430 /nfs/dbraw/zinc/97/04/30/435970430.db2.gz JYUIGRHXCJOQQV-UHFFFAOYSA-N 2 2 306.413 3.216 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000647227580 435981624 /nfs/dbraw/zinc/98/16/24/435981624.db2.gz DVULTXBRXYIEOQ-IJEWVQPXSA-N 2 2 318.486 3.145 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C[N@H+]1C1CC1 ZINC000647227580 435981629 /nfs/dbraw/zinc/98/16/29/435981629.db2.gz DVULTXBRXYIEOQ-IJEWVQPXSA-N 2 2 318.486 3.145 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229470 435983428 /nfs/dbraw/zinc/98/34/28/435983428.db2.gz OOZTZUGEQXBQHW-JXFKEZNVSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229470 435983433 /nfs/dbraw/zinc/98/34/33/435983433.db2.gz OOZTZUGEQXBQHW-JXFKEZNVSA-N 2 2 310.441 3.104 20 0 DGADLP c1cc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000656279687 435937489 /nfs/dbraw/zinc/93/74/89/435937489.db2.gz YNSQWVRQFNKJOH-RTBURBONSA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000656279687 435937490 /nfs/dbraw/zinc/93/74/90/435937490.db2.gz YNSQWVRQFNKJOH-RTBURBONSA-N 2 2 314.473 3.161 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000665298520 435942247 /nfs/dbraw/zinc/94/22/47/435942247.db2.gz XICKUAUNOHOJOV-HZMBPMFUSA-N 2 2 302.340 3.234 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000665296183 435942962 /nfs/dbraw/zinc/94/29/62/435942962.db2.gz OFULBKCYWZDXEU-AXFHLTTASA-N 2 2 305.249 3.347 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299405 435944791 /nfs/dbraw/zinc/94/47/91/435944791.db2.gz MKYQFSLPOOFNNE-IXDOHACOSA-N 2 2 310.445 3.109 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000650711343 435998593 /nfs/dbraw/zinc/99/85/93/435998593.db2.gz QFPDQLZAYLAFRZ-SMDDNHRTSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000650711343 435998598 /nfs/dbraw/zinc/99/85/98/435998598.db2.gz QFPDQLZAYLAFRZ-SMDDNHRTSA-N 2 2 301.356 3.050 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000650719548 436002889 /nfs/dbraw/zinc/00/28/89/436002889.db2.gz UQPRKLFAWIKEAJ-UHFFFAOYSA-N 3 2 320.440 3.190 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693620 436012015 /nfs/dbraw/zinc/01/20/15/436012015.db2.gz BVKCASZIHLAFSR-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693620 436012016 /nfs/dbraw/zinc/01/20/16/436012016.db2.gz BVKCASZIHLAFSR-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693620 436012017 /nfs/dbraw/zinc/01/20/17/436012017.db2.gz BVKCASZIHLAFSR-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000656693620 436012021 /nfs/dbraw/zinc/01/20/21/436012021.db2.gz BVKCASZIHLAFSR-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647321034 436012213 /nfs/dbraw/zinc/01/22/13/436012213.db2.gz STPJFEVOHVJOQH-VNQPRFMTSA-N 2 2 318.486 3.002 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647321034 436012215 /nfs/dbraw/zinc/01/22/15/436012215.db2.gz STPJFEVOHVJOQH-VNQPRFMTSA-N 2 2 318.486 3.002 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c(cccc3C)[nH+]1)CC2 ZINC000647364869 436031686 /nfs/dbraw/zinc/03/16/86/436031686.db2.gz PNKTVRQCLJVDSU-LJQANCHMSA-N 2 2 321.424 3.471 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC(C)(C)OC3(C)C)cn21 ZINC000647364528 436032013 /nfs/dbraw/zinc/03/20/13/436032013.db2.gz CLEASXXIFPMMPE-HNNXBMFYSA-N 2 2 301.434 3.121 20 0 DGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000656790448 436046784 /nfs/dbraw/zinc/04/67/84/436046784.db2.gz STFQAOITNUEQDS-ROUUACIJSA-N 2 2 320.358 3.339 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCCC1 ZINC000656788771 436047286 /nfs/dbraw/zinc/04/72/86/436047286.db2.gz CCHPZWHUAWZMGO-UHFFFAOYSA-N 2 2 311.429 3.022 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc3cccnc32)cc1 ZINC000656788563 436047588 /nfs/dbraw/zinc/04/75/88/436047588.db2.gz BHCYONUDMNTIEZ-WOJBJXKFSA-N 2 2 317.436 3.470 20 0 DGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2F)c1 ZINC000656790090 436048342 /nfs/dbraw/zinc/04/83/42/436048342.db2.gz JHZDWRYXAQDWKB-WMZOPIPTSA-N 2 2 302.368 3.200 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056513 436101377 /nfs/dbraw/zinc/10/13/77/436101377.db2.gz KLUHYDPGOXDGGP-MRXNPFEDSA-N 2 2 305.466 3.151 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479648 436059000 /nfs/dbraw/zinc/05/90/00/436059000.db2.gz OIJFUTASDGOPTJ-GXTWGEPZSA-N 2 2 319.449 3.399 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479648 436059006 /nfs/dbraw/zinc/05/90/06/436059006.db2.gz OIJFUTASDGOPTJ-GXTWGEPZSA-N 2 2 319.449 3.399 20 0 DGADLP Brc1ccsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647537093 436075399 /nfs/dbraw/zinc/07/53/99/436075399.db2.gz VZSKKUPXZWAJFK-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1ccsc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647537093 436075403 /nfs/dbraw/zinc/07/54/03/436075403.db2.gz VZSKKUPXZWAJFK-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000647549333 436080045 /nfs/dbraw/zinc/08/00/45/436080045.db2.gz URUGRBFQGVZQMN-DYESRHJHSA-N 2 2 324.468 3.491 20 0 DGADLP Cc1nc2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2s1 ZINC000647553619 436082471 /nfs/dbraw/zinc/08/24/71/436082471.db2.gz FJPCSQOHALAGMU-INIZCTEOSA-N 2 2 301.459 3.369 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000657314674 436133100 /nfs/dbraw/zinc/13/31/00/436133100.db2.gz ZKLHERZPENOOIM-UONOGXRCSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000657314674 436133104 /nfs/dbraw/zinc/13/31/04/436133104.db2.gz ZKLHERZPENOOIM-UONOGXRCSA-N 2 2 314.351 3.144 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(OC2CC2)c1F)C[NH+]1CCCC1 ZINC000657319420 436134281 /nfs/dbraw/zinc/13/42/81/436134281.db2.gz YAKCNKKEWTVRJW-CQSZACIVSA-N 2 2 306.425 3.188 20 0 DGADLP Cc1cc(CO)cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)[nH+]1 ZINC000647854238 436135056 /nfs/dbraw/zinc/13/50/56/436135056.db2.gz GTJDJRAFVCKQNG-SFHVURJKSA-N 2 2 311.429 3.131 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000657327066 436139177 /nfs/dbraw/zinc/13/91/77/436139177.db2.gz YLZXAIMDZXYTNP-MRXNPFEDSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000657327066 436139188 /nfs/dbraw/zinc/13/91/88/436139188.db2.gz YLZXAIMDZXYTNP-MRXNPFEDSA-N 2 2 301.459 3.302 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000647903469 436145268 /nfs/dbraw/zinc/14/52/68/436145268.db2.gz JQKXJALWMAFJEV-WFASDCNBSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000647903469 436145276 /nfs/dbraw/zinc/14/52/76/436145276.db2.gz JQKXJALWMAFJEV-WFASDCNBSA-N 2 2 313.367 3.064 20 0 DGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000647911811 436148227 /nfs/dbraw/zinc/14/82/27/436148227.db2.gz LHPKEBSDECOZAK-AWEZNQCLSA-N 2 2 314.433 3.002 20 0 DGADLP CC1([NH3+])CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000647926888 436151424 /nfs/dbraw/zinc/15/14/24/436151424.db2.gz QETRRUPCNZULSB-UHFFFAOYSA-N 2 2 303.233 3.185 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc2ccc(F)c(F)c2n1)Cn1cc[nH+]c1 ZINC000647925225 436151751 /nfs/dbraw/zinc/15/17/51/436151751.db2.gz XJWDIIJEGVAJJL-GFCCVEGCSA-N 2 2 316.355 3.135 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000647925705 436152612 /nfs/dbraw/zinc/15/26/12/436152612.db2.gz TYHTTWCGLYTAHA-UHFFFAOYSA-N 2 2 323.440 3.252 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000647926998 436152625 /nfs/dbraw/zinc/15/26/25/436152625.db2.gz VYGGTDQTOANWOT-UHFFFAOYSA-N 2 2 305.809 3.308 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2[nH+]1 ZINC000653110670 436114296 /nfs/dbraw/zinc/11/42/96/436114296.db2.gz QJFNGQBTUWRYOK-ZDUSSCGKSA-N 2 2 314.433 3.234 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000657299335 436123938 /nfs/dbraw/zinc/12/39/38/436123938.db2.gz UJFXONOVKCQPNX-CYBMUJFWSA-N 2 2 324.428 3.029 20 0 DGADLP CCOc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(C)c1 ZINC000657301508 436124535 /nfs/dbraw/zinc/12/45/35/436124535.db2.gz BIGZCKWQSAVUAA-UHFFFAOYSA-N 2 2 309.413 3.374 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)n1C ZINC000657375479 436166283 /nfs/dbraw/zinc/16/62/83/436166283.db2.gz ZVRPVSAJVDUJOP-CQSZACIVSA-N 2 2 318.852 3.141 20 0 DGADLP CCCn1nccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000657380053 436167144 /nfs/dbraw/zinc/16/71/44/436167144.db2.gz GBNIAMATDPGAJX-GOSISDBHSA-N 2 2 323.444 3.100 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000647970248 436164089 /nfs/dbraw/zinc/16/40/89/436164089.db2.gz IOJBHKQFOFRELG-NEPJUHHUSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000647970248 436164095 /nfs/dbraw/zinc/16/40/95/436164095.db2.gz IOJBHKQFOFRELG-NEPJUHHUSA-N 2 2 319.276 3.345 20 0 DGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccccc1Cl ZINC000657377649 436165408 /nfs/dbraw/zinc/16/54/08/436165408.db2.gz QQTWDDILMPHJHF-GFCCVEGCSA-N 2 2 305.809 3.040 20 0 DGADLP Clc1cccc([C@@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccn2)c1 ZINC000647991917 436171355 /nfs/dbraw/zinc/17/13/55/436171355.db2.gz FQLFKLKVTBVOAB-SUMWQHHRSA-N 2 2 301.821 3.024 20 0 DGADLP CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000661737095 436172072 /nfs/dbraw/zinc/17/20/72/436172072.db2.gz WWVDQOUOYLTWQZ-KRWDZBQOSA-N 2 2 317.408 3.264 20 0 DGADLP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000661737095 436172077 /nfs/dbraw/zinc/17/20/77/436172077.db2.gz WWVDQOUOYLTWQZ-KRWDZBQOSA-N 2 2 317.408 3.264 20 0 DGADLP Fc1cccc(F)c1CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000653649711 436234719 /nfs/dbraw/zinc/23/47/19/436234719.db2.gz VRCYGWXXPXOSBV-OAHLLOKOSA-N 2 2 318.367 3.446 20 0 DGADLP Fc1cccc(F)c1CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000653649711 436234725 /nfs/dbraw/zinc/23/47/25/436234725.db2.gz VRCYGWXXPXOSBV-OAHLLOKOSA-N 2 2 318.367 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CO1 ZINC000657530482 436236374 /nfs/dbraw/zinc/23/63/74/436236374.db2.gz ISEICSGGNJPZRS-MRXNPFEDSA-N 2 2 322.880 3.462 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000657536762 436238124 /nfs/dbraw/zinc/23/81/24/436238124.db2.gz ZJSFMUSTPNTHTJ-UWVAXJGDSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000657536762 436238127 /nfs/dbraw/zinc/23/81/27/436238127.db2.gz ZJSFMUSTPNTHTJ-UWVAXJGDSA-N 2 2 309.457 3.295 20 0 DGADLP COC[C@H](C)Oc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000657417488 436188551 /nfs/dbraw/zinc/18/85/51/436188551.db2.gz NYGQMVAYWHTPEA-INIZCTEOSA-N 2 2 314.429 3.136 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000666264744 436189218 /nfs/dbraw/zinc/18/92/18/436189218.db2.gz MZCGZZSGUIRPCI-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000666264744 436189227 /nfs/dbraw/zinc/18/92/27/436189227.db2.gz MZCGZZSGUIRPCI-FHWLQOOXSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1F)[NH+]1CCCCC1 ZINC000657433538 436199926 /nfs/dbraw/zinc/19/99/26/436199926.db2.gz UPCZRWFLHBRICC-LBPRGKRZSA-N 2 2 300.368 3.458 20 0 DGADLP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000653547899 436202196 /nfs/dbraw/zinc/20/21/96/436202196.db2.gz CAGVCWCJPHOHDP-CQSZACIVSA-N 2 2 305.372 3.431 20 0 DGADLP Fc1cccc(F)c1CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000653547899 436202202 /nfs/dbraw/zinc/20/22/02/436202202.db2.gz CAGVCWCJPHOHDP-CQSZACIVSA-N 2 2 305.372 3.431 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000657741297 436290349 /nfs/dbraw/zinc/29/03/49/436290349.db2.gz GHTPWEHOQYMGKK-KVVHSQDJSA-N 2 2 302.462 3.310 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C(C)=C\c2ccccc2COC)C1 ZINC000657741297 436290352 /nfs/dbraw/zinc/29/03/52/436290352.db2.gz GHTPWEHOQYMGKK-KVVHSQDJSA-N 2 2 302.462 3.310 20 0 DGADLP CC(C)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C ZINC000657750655 436295414 /nfs/dbraw/zinc/29/54/14/436295414.db2.gz KZHJMWYYDPGKLW-WNHJNPCNSA-N 2 2 308.510 3.290 20 0 DGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657753515 436295700 /nfs/dbraw/zinc/29/57/00/436295700.db2.gz XEQWTQMCAZEXJV-NEWSRXKRSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1ccc2c(c1Br)C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000662194014 436296408 /nfs/dbraw/zinc/29/64/08/436296408.db2.gz YITOYBXVORHHAI-UHFFFAOYSA-N 2 2 320.234 3.360 20 0 DGADLP Cc1ccc2c(c1Br)C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000662194014 436296411 /nfs/dbraw/zinc/29/64/11/436296411.db2.gz YITOYBXVORHHAI-UHFFFAOYSA-N 2 2 320.234 3.360 20 0 DGADLP CC[C@H](COCC1CC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657561524 436246317 /nfs/dbraw/zinc/24/63/17/436246317.db2.gz IVJFGELPKKIQAE-CQSZACIVSA-N 2 2 305.447 3.229 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662051815 436258791 /nfs/dbraw/zinc/25/87/91/436258791.db2.gz NVIQXJNJSGIAEO-SMDDNHRTSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662051815 436258793 /nfs/dbraw/zinc/25/87/93/436258793.db2.gz NVIQXJNJSGIAEO-SMDDNHRTSA-N 2 2 317.260 3.101 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662051383 436259520 /nfs/dbraw/zinc/25/95/20/436259520.db2.gz LRWYYQRZMUMBCU-AWEZNQCLSA-N 2 2 319.276 3.348 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCO[C@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657619587 436260733 /nfs/dbraw/zinc/26/07/33/436260733.db2.gz RNYOTWZDKLHAMR-HOTGVXAUSA-N 2 2 324.415 3.053 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCO[C@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657619587 436260735 /nfs/dbraw/zinc/26/07/35/436260735.db2.gz RNYOTWZDKLHAMR-HOTGVXAUSA-N 2 2 324.415 3.053 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662836 436270403 /nfs/dbraw/zinc/27/04/03/436270403.db2.gz CVYJHSOVUYLXTF-ISARSNTHSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662836 436270407 /nfs/dbraw/zinc/27/04/07/436270407.db2.gz CVYJHSOVUYLXTF-ISARSNTHSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H]3CC[N@@H+](C4CCCCC4)C3)cn2c1 ZINC000657677436 436277154 /nfs/dbraw/zinc/27/71/54/436277154.db2.gz CNYLPABMVRZLQD-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H]3CC[N@H+](C4CCCCC4)C3)cn2c1 ZINC000657677436 436277158 /nfs/dbraw/zinc/27/71/58/436277158.db2.gz CNYLPABMVRZLQD-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP c1cnc2c(n1)CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000662119039 436279863 /nfs/dbraw/zinc/27/98/63/436279863.db2.gz JDCIOGFKIWAZOF-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP c1cnc2c(n1)CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000662119039 436279869 /nfs/dbraw/zinc/27/98/69/436279869.db2.gz JDCIOGFKIWAZOF-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000657694382 436280791 /nfs/dbraw/zinc/28/07/91/436280791.db2.gz LFNMRUJBQCQYKA-ZSYWTGECSA-N 2 2 308.510 3.292 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000662236427 436308024 /nfs/dbraw/zinc/30/80/24/436308024.db2.gz XXNSUGPWTCCLHE-RISCZKNCSA-N 2 2 300.418 3.259 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1F ZINC000662236427 436308028 /nfs/dbraw/zinc/30/80/28/436308028.db2.gz XXNSUGPWTCCLHE-RISCZKNCSA-N 2 2 300.418 3.259 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OCC ZINC000666946406 436312838 /nfs/dbraw/zinc/31/28/38/436312838.db2.gz AIYULYJQCWSDNL-HOTGVXAUSA-N 2 2 324.440 3.054 20 0 DGADLP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666946759 436312932 /nfs/dbraw/zinc/31/29/32/436312932.db2.gz PFBXEUGYNXUYQK-RNIPGJKVSA-N 2 2 320.452 3.400 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662252618 436313631 /nfs/dbraw/zinc/31/36/31/436313631.db2.gz BYHNNBIAAKPIOI-MGPUTAFESA-N 2 2 310.441 3.354 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000662252618 436313632 /nfs/dbraw/zinc/31/36/32/436313632.db2.gz BYHNNBIAAKPIOI-MGPUTAFESA-N 2 2 310.441 3.354 20 0 DGADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000657822377 436317752 /nfs/dbraw/zinc/31/77/52/436317752.db2.gz ZHXWETRDDDHIQI-OAHLLOKOSA-N 2 2 322.250 3.257 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCCn2nccc21)[N@@H+]1CCc2ccccc2C1 ZINC000657826441 436319775 /nfs/dbraw/zinc/31/97/75/436319775.db2.gz GOGKJBKEDUCXLE-RTBURBONSA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCCn2nccc21)[N@H+]1CCc2ccccc2C1 ZINC000657826441 436319777 /nfs/dbraw/zinc/31/97/77/436319777.db2.gz GOGKJBKEDUCXLE-RTBURBONSA-N 2 2 324.472 3.145 20 0 DGADLP Fc1ccc(SCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000662277988 436321850 /nfs/dbraw/zinc/32/18/50/436321850.db2.gz UKPWVARBTCJCTM-INIZCTEOSA-N 2 2 312.429 3.132 20 0 DGADLP Fc1ccc(SCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000662277988 436321854 /nfs/dbraw/zinc/32/18/54/436321854.db2.gz UKPWVARBTCJCTM-INIZCTEOSA-N 2 2 312.429 3.132 20 0 DGADLP CC(C)[C@@H](C[NH2+]C1CC(CF)(CF)C1)[NH+]1CCC(C)CC1 ZINC000657832983 436322184 /nfs/dbraw/zinc/32/21/84/436322184.db2.gz IFOHDYYFQPJOFP-MRXNPFEDSA-N 2 2 302.453 3.420 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995335 436322169 /nfs/dbraw/zinc/32/21/69/436322169.db2.gz KIVIOSXJUPAPQL-BHIYHBOVSA-N 3 2 319.537 3.294 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)[C@H]1CC[NH3+] ZINC000662285435 436324000 /nfs/dbraw/zinc/32/40/00/436324000.db2.gz JOFMXTQVZYQZKG-RISCZKNCSA-N 2 2 316.367 3.376 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)[C@H]1CC[NH3+] ZINC000662285435 436324003 /nfs/dbraw/zinc/32/40/03/436324003.db2.gz JOFMXTQVZYQZKG-RISCZKNCSA-N 2 2 316.367 3.376 20 0 DGADLP FCC1(CF)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000657852084 436326173 /nfs/dbraw/zinc/32/61/73/436326173.db2.gz SPCBIIOVXWSFMR-UHFFFAOYSA-N 2 2 309.335 3.189 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657860488 436327975 /nfs/dbraw/zinc/32/79/75/436327975.db2.gz IDWYLMSDKJTWRH-RBUKOAKNSA-N 2 2 314.473 3.433 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCn3nccc32)[NH+]2CCCC2)cc1 ZINC000657860481 436328141 /nfs/dbraw/zinc/32/81/41/436328141.db2.gz ICHNSALHSVQKHM-QUCCMNQESA-N 2 2 324.472 3.453 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657870970 436329409 /nfs/dbraw/zinc/32/94/09/436329409.db2.gz HLHBHGRWVZCIAY-BPQIPLTHSA-N 2 2 310.445 3.143 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324081 436330030 /nfs/dbraw/zinc/33/00/30/436330030.db2.gz UKVZZZOAAKRRQB-SFHVURJKSA-N 2 2 320.477 3.016 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324081 436330034 /nfs/dbraw/zinc/33/00/34/436330034.db2.gz UKVZZZOAAKRRQB-SFHVURJKSA-N 2 2 320.477 3.016 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323315 436330315 /nfs/dbraw/zinc/33/03/15/436330315.db2.gz PHIZPTKCIYCEEN-WMLDXEAASA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323315 436330317 /nfs/dbraw/zinc/33/03/17/436330317.db2.gz PHIZPTKCIYCEEN-WMLDXEAASA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCn2nccc21)c1ccccc1 ZINC000657881370 436331690 /nfs/dbraw/zinc/33/16/90/436331690.db2.gz NJZAUFYRIQMRDX-NVXWUHKLSA-N 2 2 312.461 3.437 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323313 436332037 /nfs/dbraw/zinc/33/20/37/436332037.db2.gz PHIZPTKCIYCEEN-RHSMWYFYSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323313 436332040 /nfs/dbraw/zinc/33/20/40/436332040.db2.gz PHIZPTKCIYCEEN-RHSMWYFYSA-N 2 2 310.869 3.444 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2nccc3ccccc32)C[C@H]1c1ccccc1F ZINC000667051243 436332655 /nfs/dbraw/zinc/33/26/55/436332655.db2.gz YBHDXNKVDWRGNK-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1c1ccccc1F ZINC000667051243 436332658 /nfs/dbraw/zinc/33/26/58/436332658.db2.gz YBHDXNKVDWRGNK-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658056975 436361503 /nfs/dbraw/zinc/36/15/03/436361503.db2.gz MUYYIDLMDIROPN-HIFRSBDPSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658056975 436361505 /nfs/dbraw/zinc/36/15/05/436361505.db2.gz MUYYIDLMDIROPN-HIFRSBDPSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062534 436363149 /nfs/dbraw/zinc/36/31/49/436363149.db2.gz SKVYOLVUKQNZFM-DOMZBBRYSA-N 2 2 306.425 3.284 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062534 436363152 /nfs/dbraw/zinc/36/31/52/436363152.db2.gz SKVYOLVUKQNZFM-DOMZBBRYSA-N 2 2 306.425 3.284 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062263 436363220 /nfs/dbraw/zinc/36/32/20/436363220.db2.gz DYZLCPZDPHTLCS-MJGOQNOKSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000658062263 436363222 /nfs/dbraw/zinc/36/32/22/436363222.db2.gz DYZLCPZDPHTLCS-MJGOQNOKSA-N 2 2 309.457 3.439 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658089820 436371215 /nfs/dbraw/zinc/37/12/15/436371215.db2.gz BFHKFGIWIOTERJ-DOTOQJQBSA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658089820 436371217 /nfs/dbraw/zinc/37/12/17/436371217.db2.gz BFHKFGIWIOTERJ-DOTOQJQBSA-N 2 2 304.478 3.479 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091006 436371525 /nfs/dbraw/zinc/37/15/25/436371525.db2.gz KBEYHYLKFISBCR-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091006 436371529 /nfs/dbraw/zinc/37/15/29/436371529.db2.gz KBEYHYLKFISBCR-CJNGLKHVSA-N 2 2 321.440 3.005 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658089824 436371922 /nfs/dbraw/zinc/37/19/22/436371922.db2.gz BFHKFGIWIOTERJ-RDJZCZTQSA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658089824 436371927 /nfs/dbraw/zinc/37/19/27/436371927.db2.gz BFHKFGIWIOTERJ-RDJZCZTQSA-N 2 2 304.478 3.479 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093023 436373809 /nfs/dbraw/zinc/37/38/09/436373809.db2.gz SVCCLENLNOOLEO-PKOBYXMFSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093023 436373812 /nfs/dbraw/zinc/37/38/12/436373812.db2.gz SVCCLENLNOOLEO-PKOBYXMFSA-N 2 2 316.489 3.479 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)CC1 ZINC000658125757 436382049 /nfs/dbraw/zinc/38/20/49/436382049.db2.gz YFSPWVRZRRCMJY-OAHLLOKOSA-N 2 2 322.415 3.341 20 0 DGADLP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658214933 436402176 /nfs/dbraw/zinc/40/21/76/436402176.db2.gz DITOBSFJVVOBDW-CQSZACIVSA-N 2 2 321.428 3.334 20 0 DGADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000658220282 436403173 /nfs/dbraw/zinc/40/31/73/436403173.db2.gz PKBVOGBQKBEING-QRQLOZEOSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000658220282 436403175 /nfs/dbraw/zinc/40/31/75/436403175.db2.gz PKBVOGBQKBEING-QRQLOZEOSA-N 2 2 302.462 3.198 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CCC2)c1 ZINC000658323928 436429800 /nfs/dbraw/zinc/42/98/00/436429800.db2.gz UUNAKMVTIIBFQO-GOEBONIOSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CCC2)c1 ZINC000658323928 436429805 /nfs/dbraw/zinc/42/98/05/436429805.db2.gz UUNAKMVTIIBFQO-GOEBONIOSA-N 2 2 300.446 3.289 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cc2)c[nH+]1 ZINC000663347814 436445641 /nfs/dbraw/zinc/44/56/41/436445641.db2.gz WPXVKWWQCGYFPM-LJQANCHMSA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cc2)c[nH+]1 ZINC000663347814 436445644 /nfs/dbraw/zinc/44/56/44/436445644.db2.gz WPXVKWWQCGYFPM-LJQANCHMSA-N 3 2 324.472 3.084 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284984 436416799 /nfs/dbraw/zinc/41/67/99/436416799.db2.gz JELASBFSZPNEND-ZOBUZTSGSA-N 2 2 320.477 3.270 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284984 436416802 /nfs/dbraw/zinc/41/68/02/436416802.db2.gz JELASBFSZPNEND-ZOBUZTSGSA-N 2 2 320.477 3.270 20 0 DGADLP Cc1ccc(C2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000658294264 436420825 /nfs/dbraw/zinc/42/08/25/436420825.db2.gz MKYOGSMAUNYZOZ-UUKMXZOPSA-N 2 2 314.473 3.084 20 0 DGADLP C[NH+](C)[C@H]1CCCN(c2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000663842882 436517433 /nfs/dbraw/zinc/51/74/33/436517433.db2.gz BYHWRTOSJLVPHZ-INIZCTEOSA-N 2 2 311.433 3.141 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000663498663 436471164 /nfs/dbraw/zinc/47/11/64/436471164.db2.gz RCMBHOWTWQASAJ-MRXNPFEDSA-N 2 2 319.474 3.185 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448765 436550270 /nfs/dbraw/zinc/55/02/70/436550270.db2.gz VNQLYUZWVVVWFF-PKOBYXMFSA-N 2 2 323.396 3.202 20 0 DGADLP Nc1[nH+]cccc1COc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000664102219 436557618 /nfs/dbraw/zinc/55/76/18/436557618.db2.gz WDZWWOVABSCLLV-UHFFFAOYSA-N 2 2 317.820 3.492 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1Cl ZINC000659949471 436565832 /nfs/dbraw/zinc/56/58/32/436565832.db2.gz XIEWNWVCLRXQJN-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1Cl ZINC000659949471 436565836 /nfs/dbraw/zinc/56/58/36/436565836.db2.gz XIEWNWVCLRXQJN-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655685656 436573702 /nfs/dbraw/zinc/57/37/02/436573702.db2.gz KDYQTIDMXNNCMN-RCCFBDPRSA-N 2 2 308.510 3.434 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000655687922 436574173 /nfs/dbraw/zinc/57/41/73/436574173.db2.gz AADYMZGSBXWROV-LJQANCHMSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655687121 436574696 /nfs/dbraw/zinc/57/46/96/436574696.db2.gz VPEXYHNEWHEKGR-VQTJNVASSA-N 2 2 314.473 3.289 20 0 DGADLP c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116106 436590346 /nfs/dbraw/zinc/59/03/46/436590346.db2.gz VLPRACRJCFJPNT-KDOFPFPSSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116106 436590348 /nfs/dbraw/zinc/59/03/48/436590348.db2.gz VLPRACRJCFJPNT-KDOFPFPSSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116106 436590351 /nfs/dbraw/zinc/59/03/51/436590351.db2.gz VLPRACRJCFJPNT-KDOFPFPSSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116106 436590353 /nfs/dbraw/zinc/59/03/53/436590353.db2.gz VLPRACRJCFJPNT-KDOFPFPSSA-N 2 2 301.434 3.001 20 0 DGADLP COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000660205432 436604972 /nfs/dbraw/zinc/60/49/72/436604972.db2.gz WNUMAXFRPJELIO-GFCCVEGCSA-N 2 2 312.373 3.028 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000245592862 302154776 /nfs/dbraw/zinc/15/47/76/302154776.db2.gz LAAGJSSDVSVGKO-LMMKCTJWSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000245592862 302154778 /nfs/dbraw/zinc/15/47/78/302154778.db2.gz LAAGJSSDVSVGKO-LMMKCTJWSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H](C)CO1 ZINC000245592862 302154779 /nfs/dbraw/zinc/15/47/79/302154779.db2.gz LAAGJSSDVSVGKO-LMMKCTJWSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@H](C)CO1 ZINC000245592862 302154782 /nfs/dbraw/zinc/15/47/82/302154782.db2.gz LAAGJSSDVSVGKO-LMMKCTJWSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1)[NH+](C)C ZINC000475090168 302208596 /nfs/dbraw/zinc/20/85/96/302208596.db2.gz FYKYEWYHVLSTEB-DWRORGKVSA-N 2 2 304.478 3.391 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442873302 533695281 /nfs/dbraw/zinc/69/52/81/533695281.db2.gz KRVHOCUYFDELAT-SFHVURJKSA-N 2 2 318.509 3.298 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000121052755 303056139 /nfs/dbraw/zinc/05/61/39/303056139.db2.gz YBSREYRWIHZJIW-AZUAARDMSA-N 2 2 324.472 3.224 20 0 DGADLP Fc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423303125 303131371 /nfs/dbraw/zinc/13/13/71/303131371.db2.gz LAQWWOJQYKCLEY-KRWDZBQOSA-N 2 2 304.796 3.378 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000134103157 312683787 /nfs/dbraw/zinc/68/37/87/312683787.db2.gz ISOQGSVNRFBZOG-FHWLQOOXSA-N 2 2 302.462 3.228 20 0 DGADLP Fc1cc2cccnc2c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376759271 312983828 /nfs/dbraw/zinc/98/38/28/312983828.db2.gz UDKLWWXKFAVJCV-UHFFFAOYSA-N 2 2 310.376 3.197 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000377293141 313037120 /nfs/dbraw/zinc/03/71/20/313037120.db2.gz GLXQRIOTKWOWHG-CQSZACIVSA-N 2 2 321.371 3.401 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000377293141 313037122 /nfs/dbraw/zinc/03/71/22/313037122.db2.gz GLXQRIOTKWOWHG-CQSZACIVSA-N 2 2 321.371 3.401 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000528726238 313066050 /nfs/dbraw/zinc/06/60/50/313066050.db2.gz CFFFARHWMQICQY-UHFFFAOYSA-N 2 2 324.415 3.311 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530176803 313334024 /nfs/dbraw/zinc/33/40/24/313334024.db2.gz CGAFUKOVRQNIGH-CYBMUJFWSA-N 2 2 316.779 3.316 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)c2)nc1 ZINC000530179476 313334695 /nfs/dbraw/zinc/33/46/95/313334695.db2.gz YJQZJWGJVMUYRN-LJQANCHMSA-N 2 2 323.440 3.035 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000530492493 313375936 /nfs/dbraw/zinc/37/59/36/313375936.db2.gz WWCXDFMKQNUVOC-KDOFPFPSSA-N 2 2 302.462 3.349 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000530492493 313375937 /nfs/dbraw/zinc/37/59/37/313375937.db2.gz WWCXDFMKQNUVOC-KDOFPFPSSA-N 2 2 302.462 3.349 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531939302 313503033 /nfs/dbraw/zinc/50/30/33/313503033.db2.gz LHVGJSNDNIPSKB-QGZVFWFLSA-N 2 2 315.417 3.175 20 0 DGADLP C[C@H](C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000532230862 313529969 /nfs/dbraw/zinc/52/99/69/313529969.db2.gz OQLXNBGRHDVVNG-VCBZYWHSSA-N 2 2 320.452 3.007 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCOCC1 ZINC000532451023 313550018 /nfs/dbraw/zinc/55/00/18/313550018.db2.gz YBLSUWBVHOTSAG-IBGZPJMESA-N 2 2 313.445 3.226 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CCSC1 ZINC000532549601 313560122 /nfs/dbraw/zinc/56/01/22/313560122.db2.gz CDFFGYSGVCZCCX-CVEARBPZSA-N 2 2 310.894 3.354 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1nc2c(s1)CCCC2 ZINC000536774684 313784550 /nfs/dbraw/zinc/78/45/50/313784550.db2.gz CBZWJPCOJMPGCC-CYBMUJFWSA-N 2 2 304.463 3.349 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236684 314001845 /nfs/dbraw/zinc/00/18/45/314001845.db2.gz XMJZEJSRSVXOQX-CQSZACIVSA-N 2 2 322.880 3.439 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236684 314001846 /nfs/dbraw/zinc/00/18/46/314001846.db2.gz XMJZEJSRSVXOQX-CQSZACIVSA-N 2 2 322.880 3.439 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236684 314001848 /nfs/dbraw/zinc/00/18/48/314001848.db2.gz XMJZEJSRSVXOQX-CQSZACIVSA-N 2 2 322.880 3.439 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000541236684 314001850 /nfs/dbraw/zinc/00/18/50/314001850.db2.gz XMJZEJSRSVXOQX-CQSZACIVSA-N 2 2 322.880 3.439 20 0 DGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000541236800 314001866 /nfs/dbraw/zinc/00/18/66/314001866.db2.gz FFVMWEZAPINLQX-LJQANCHMSA-N 2 2 303.494 3.223 20 0 DGADLP CCCCc1nc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000541892777 314047207 /nfs/dbraw/zinc/04/72/07/314047207.db2.gz BJBPAOVWOXRXSH-ZDUSSCGKSA-N 2 2 304.463 3.209 20 0 DGADLP CCCCc1nc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000541892777 314047209 /nfs/dbraw/zinc/04/72/09/314047209.db2.gz BJBPAOVWOXRXSH-ZDUSSCGKSA-N 2 2 304.463 3.209 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000542663096 314089633 /nfs/dbraw/zinc/08/96/33/314089633.db2.gz QHIMSICJWLZVKY-GUDVDZBRSA-N 2 2 310.445 3.028 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000542663106 314089860 /nfs/dbraw/zinc/08/98/60/314089860.db2.gz QHIMSICJWLZVKY-QRVBRYPASA-N 2 2 310.445 3.028 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579587 314201216 /nfs/dbraw/zinc/20/12/16/314201216.db2.gz VIAJCBBLJNKYFM-MJGOQNOKSA-N 2 2 320.477 3.376 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579587 314201219 /nfs/dbraw/zinc/20/12/19/314201219.db2.gz VIAJCBBLJNKYFM-MJGOQNOKSA-N 2 2 320.477 3.376 20 0 DGADLP C[C@H](CCC1CC1)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000545971783 314280919 /nfs/dbraw/zinc/28/09/19/314280919.db2.gz QEOSWHHVCXIMFO-GFCCVEGCSA-N 2 2 308.389 3.201 20 0 DGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)oc21 ZINC000547654634 314384232 /nfs/dbraw/zinc/38/42/32/314384232.db2.gz OHHHVNNYGLLEPD-GXTWGEPZSA-N 2 2 311.385 3.304 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC000551012962 314547576 /nfs/dbraw/zinc/54/75/76/314547576.db2.gz DFOUFQXQSLUPPO-OALUTQOASA-N 2 2 310.441 3.191 20 0 DGADLP c1cn(Cc2ccc(NCc3cnc(C4CC4)s3)[nH+]c2)c[nH+]1 ZINC000556806396 314777045 /nfs/dbraw/zinc/77/70/45/314777045.db2.gz GNAIJMIPWCIXGM-UHFFFAOYSA-N 2 2 311.414 3.272 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000563053163 315074391 /nfs/dbraw/zinc/07/43/91/315074391.db2.gz VOMKLHIRSJHRAM-GUYCJALGSA-N 2 2 302.443 3.286 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000563053164 315074455 /nfs/dbraw/zinc/07/44/55/315074455.db2.gz VOMKLHIRSJHRAM-SUMWQHHRSA-N 2 2 302.443 3.286 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563135803 315082550 /nfs/dbraw/zinc/08/25/50/315082550.db2.gz UQTXDLHNBIYPKZ-CABCVRRESA-N 2 2 305.491 3.232 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563135803 315082552 /nfs/dbraw/zinc/08/25/52/315082552.db2.gz UQTXDLHNBIYPKZ-CABCVRRESA-N 2 2 305.491 3.232 20 0 DGADLP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563428833 315114658 /nfs/dbraw/zinc/11/46/58/315114658.db2.gz JJWCDONREDIDPM-BONDDZEJSA-N 2 2 314.473 3.277 20 0 DGADLP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563428833 315114659 /nfs/dbraw/zinc/11/46/59/315114659.db2.gz JJWCDONREDIDPM-BONDDZEJSA-N 2 2 314.473 3.277 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000563428197 315114795 /nfs/dbraw/zinc/11/47/95/315114795.db2.gz ANBZZXSSNLINQM-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000563428197 315114797 /nfs/dbraw/zinc/11/47/97/315114797.db2.gz ANBZZXSSNLINQM-QGZVFWFLSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)n1C ZINC000563549031 315123549 /nfs/dbraw/zinc/12/35/49/315123549.db2.gz DAAGKXIBFRSHFT-GFCCVEGCSA-N 2 2 314.408 3.080 20 0 DGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000564074311 315155725 /nfs/dbraw/zinc/15/57/25/315155725.db2.gz ULLDDPYUFKRGBT-GUDVDZBRSA-N 2 2 318.424 3.244 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](C)Cc1ccc(Br)o1 ZINC000564081073 315155890 /nfs/dbraw/zinc/15/58/90/315155890.db2.gz YRFXARBUDJPBJK-UHFFFAOYSA-N 2 2 309.207 3.420 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](C)Cc1ccc(Br)o1 ZINC000564081073 315155888 /nfs/dbraw/zinc/15/58/88/315155888.db2.gz YRFXARBUDJPBJK-UHFFFAOYSA-N 2 2 309.207 3.420 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096411 315157012 /nfs/dbraw/zinc/15/70/12/315157012.db2.gz KOVXBTPRGQDGGX-LEWJYISDSA-N 2 2 324.468 3.099 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096411 315157013 /nfs/dbraw/zinc/15/70/13/315157013.db2.gz KOVXBTPRGQDGGX-LEWJYISDSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096411 315157015 /nfs/dbraw/zinc/15/70/15/315157015.db2.gz KOVXBTPRGQDGGX-LEWJYISDSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096411 315157017 /nfs/dbraw/zinc/15/70/17/315157017.db2.gz KOVXBTPRGQDGGX-LEWJYISDSA-N 2 2 324.468 3.099 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096414 315157120 /nfs/dbraw/zinc/15/71/20/315157120.db2.gz KOVXBTPRGQDGGX-SFTDATJTSA-N 2 2 324.468 3.099 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096414 315157122 /nfs/dbraw/zinc/15/71/22/315157122.db2.gz KOVXBTPRGQDGGX-SFTDATJTSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096414 315157126 /nfs/dbraw/zinc/15/71/26/315157126.db2.gz KOVXBTPRGQDGGX-SFTDATJTSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000564096414 315157128 /nfs/dbraw/zinc/15/71/28/315157128.db2.gz KOVXBTPRGQDGGX-SFTDATJTSA-N 2 2 324.468 3.099 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322894 315169402 /nfs/dbraw/zinc/16/94/02/315169402.db2.gz COBNFIODWWWWHF-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322894 315169406 /nfs/dbraw/zinc/16/94/06/315169406.db2.gz COBNFIODWWWWHF-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322894 315169408 /nfs/dbraw/zinc/16/94/08/315169408.db2.gz COBNFIODWWWWHF-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322894 315169411 /nfs/dbraw/zinc/16/94/11/315169411.db2.gz COBNFIODWWWWHF-MOPGFXCFSA-N 2 2 322.456 3.060 20 0 DGADLP Cc1ccc(-n2cc[nH+]c2)c(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000564562393 315182959 /nfs/dbraw/zinc/18/29/59/315182959.db2.gz KULPMZFGVWKHMR-UHFFFAOYSA-N 2 2 323.400 3.349 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000564631567 315187361 /nfs/dbraw/zinc/18/73/61/315187361.db2.gz MZBJRSPBXPWZEL-DARIXABFSA-N 2 2 302.462 3.195 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000564631567 315187363 /nfs/dbraw/zinc/18/73/63/315187363.db2.gz MZBJRSPBXPWZEL-DARIXABFSA-N 2 2 302.462 3.195 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237766 315245978 /nfs/dbraw/zinc/24/59/78/315245978.db2.gz KZJZCKOBIPNWRG-SJLPKXTDSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000565237766 315245980 /nfs/dbraw/zinc/24/59/80/315245980.db2.gz KZJZCKOBIPNWRG-SJLPKXTDSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237766 315245983 /nfs/dbraw/zinc/24/59/83/315245983.db2.gz KZJZCKOBIPNWRG-SJLPKXTDSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000565237766 315245986 /nfs/dbraw/zinc/24/59/86/315245986.db2.gz KZJZCKOBIPNWRG-SJLPKXTDSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565378363 315257282 /nfs/dbraw/zinc/25/72/82/315257282.db2.gz MGFWPVRCLAQZCX-AWEZNQCLSA-N 2 2 311.385 3.073 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C2)ccc1Oc1cc[nH+]cc1 ZINC000565378363 315257285 /nfs/dbraw/zinc/25/72/85/315257285.db2.gz MGFWPVRCLAQZCX-AWEZNQCLSA-N 2 2 311.385 3.073 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000565607774 315274190 /nfs/dbraw/zinc/27/41/90/315274190.db2.gz XSCQZPGWXPLUSD-GOSISDBHSA-N 2 2 321.424 3.442 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000565607774 315274192 /nfs/dbraw/zinc/27/41/92/315274192.db2.gz XSCQZPGWXPLUSD-GOSISDBHSA-N 2 2 321.424 3.442 20 0 DGADLP CO[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000565787717 315287962 /nfs/dbraw/zinc/28/79/62/315287962.db2.gz PAECPLJIMLQAHF-GOSISDBHSA-N 2 2 311.429 3.346 20 0 DGADLP CS[C@H]1CN(c2[nH+]ccc3ccc(C)cc32)C[C@H]1[NH+](C)C ZINC000566150032 315316942 /nfs/dbraw/zinc/31/69/42/315316942.db2.gz TZRRQGGCJLPOLO-CVEARBPZSA-N 2 2 301.459 3.025 20 0 DGADLP c1coc(-c2ncc(C[NH2+]CCCCn3cc[nH+]c3)s2)c1 ZINC000566714144 315369043 /nfs/dbraw/zinc/36/90/43/315369043.db2.gz AQNSMAVCHSGBHA-UHFFFAOYSA-N 2 2 302.403 3.170 20 0 DGADLP Fc1cc(F)cc(C2CC([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000567965088 315466580 /nfs/dbraw/zinc/46/65/80/315466580.db2.gz QNVJQOZGFSTBNH-UHFFFAOYSA-N 2 2 305.372 3.477 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000568250131 315496008 /nfs/dbraw/zinc/49/60/08/315496008.db2.gz GZUXTBAQAOUFLP-OAHLLOKOSA-N 2 2 311.433 3.010 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+]Cc3c[nH+]c(C)n3C)cc2)cs1 ZINC000568269791 315498179 /nfs/dbraw/zinc/49/81/79/315498179.db2.gz YBULSWSJFBREOF-UHFFFAOYSA-N 2 2 312.442 3.450 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000570221361 315634004 /nfs/dbraw/zinc/63/40/04/315634004.db2.gz OGWODKOQAJSDSC-GFCCVEGCSA-N 2 2 323.238 3.172 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH]c1C ZINC000574824216 316004380 /nfs/dbraw/zinc/00/43/80/316004380.db2.gz QSXIQOCRLNIYQQ-OAHLLOKOSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]c1C ZINC000574824216 316004383 /nfs/dbraw/zinc/00/43/83/316004383.db2.gz QSXIQOCRLNIYQQ-OAHLLOKOSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]c1C ZINC000574824216 316004386 /nfs/dbraw/zinc/00/43/86/316004386.db2.gz QSXIQOCRLNIYQQ-OAHLLOKOSA-N 2 2 318.490 3.090 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]c1C ZINC000574824216 316004389 /nfs/dbraw/zinc/00/43/89/316004389.db2.gz QSXIQOCRLNIYQQ-OAHLLOKOSA-N 2 2 318.490 3.090 20 0 DGADLP CC(C)c1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000575369763 316050370 /nfs/dbraw/zinc/05/03/70/316050370.db2.gz QDVHGQOMKCXGRS-CQSZACIVSA-N 2 2 316.493 3.216 20 0 DGADLP CC(C)c1nc(NC[C@H]2CC[N@H+](C3CC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000575369763 316050375 /nfs/dbraw/zinc/05/03/75/316050375.db2.gz QDVHGQOMKCXGRS-CQSZACIVSA-N 2 2 316.493 3.216 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC(C)(C)C3)c2cc1C ZINC000575836064 316067098 /nfs/dbraw/zinc/06/70/98/316067098.db2.gz YOEUBKVUCNNXEX-HZPDHXFCSA-N 2 2 315.461 3.182 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000576634581 316151059 /nfs/dbraw/zinc/15/10/59/316151059.db2.gz USJOAZLDBGICMB-GOSISDBHSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000576634581 316151063 /nfs/dbraw/zinc/15/10/63/316151063.db2.gz USJOAZLDBGICMB-GOSISDBHSA-N 2 2 301.409 3.199 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c(C)[nH+]1 ZINC000576961424 316187521 /nfs/dbraw/zinc/18/75/21/316187521.db2.gz QTMHHSBYEILLPY-KRWDZBQOSA-N 2 2 324.428 3.015 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000577062395 316198079 /nfs/dbraw/zinc/19/80/79/316198079.db2.gz ILRPOASERMOWTN-HNNXBMFYSA-N 2 2 309.251 3.025 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000577062395 316198082 /nfs/dbraw/zinc/19/80/82/316198082.db2.gz ILRPOASERMOWTN-HNNXBMFYSA-N 2 2 309.251 3.025 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000577432484 316234718 /nfs/dbraw/zinc/23/47/18/316234718.db2.gz NZLBSLOPSCLKRQ-HXUWFJFHSA-N 2 2 321.468 3.460 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000577432484 316234721 /nfs/dbraw/zinc/23/47/21/316234721.db2.gz NZLBSLOPSCLKRQ-HXUWFJFHSA-N 2 2 321.468 3.460 20 0 DGADLP c1c2ccccc2oc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000578025965 316296233 /nfs/dbraw/zinc/29/62/33/316296233.db2.gz HNBDFSZEAUUXOJ-KRWDZBQOSA-N 2 2 314.429 3.120 20 0 DGADLP c1c2ccccc2oc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000578025965 316296235 /nfs/dbraw/zinc/29/62/35/316296235.db2.gz HNBDFSZEAUUXOJ-KRWDZBQOSA-N 2 2 314.429 3.120 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C12CCCC2 ZINC000181457046 323254615 /nfs/dbraw/zinc/25/46/15/323254615.db2.gz GCYHWWOJRNVPHQ-DLBZAZTESA-N 2 2 313.445 3.204 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000181471426 323255818 /nfs/dbraw/zinc/25/58/18/323255818.db2.gz GFLKOYJIFPRRIV-QZTJIDSGSA-N 2 2 313.445 3.225 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C12CCC2 ZINC000181569030 323259377 /nfs/dbraw/zinc/25/93/77/323259377.db2.gz XGBDVYKVSBXDCJ-ZWKOTPCHSA-N 2 2 311.429 3.310 20 0 DGADLP CCO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181440 323328393 /nfs/dbraw/zinc/32/83/93/323328393.db2.gz VLNWYUZJBCTTGR-SJORKVTESA-N 2 2 305.466 3.333 20 0 DGADLP CCO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181440 323328398 /nfs/dbraw/zinc/32/83/98/323328398.db2.gz VLNWYUZJBCTTGR-SJORKVTESA-N 2 2 305.466 3.333 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Br)C[NH+](C)C ZINC000386480960 323639184 /nfs/dbraw/zinc/63/91/84/323639184.db2.gz IHCKKMMGGCAEAQ-QWRGUYRKSA-N 2 2 317.246 3.437 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)ccn1 ZINC000578453150 323736233 /nfs/dbraw/zinc/73/62/33/323736233.db2.gz HSZANKMVEPAYPX-QAPCUYQASA-N 2 2 313.445 3.352 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000580551319 324010740 /nfs/dbraw/zinc/01/07/40/324010740.db2.gz JGVBJCBDGSNPHG-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000580551319 324010744 /nfs/dbraw/zinc/01/07/44/324010744.db2.gz JGVBJCBDGSNPHG-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722282 324031167 /nfs/dbraw/zinc/03/11/67/324031167.db2.gz HQAFXRJTDDLLSP-VXGBXAGGSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722282 324031171 /nfs/dbraw/zinc/03/11/71/324031171.db2.gz HQAFXRJTDDLLSP-VXGBXAGGSA-N 2 2 305.422 3.261 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000580897538 324050736 /nfs/dbraw/zinc/05/07/36/324050736.db2.gz BBXQFEFUJGCGJJ-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000580897538 324050741 /nfs/dbraw/zinc/05/07/41/324050741.db2.gz BBXQFEFUJGCGJJ-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cn3ccccc3n1)CCC2 ZINC000581380320 324112276 /nfs/dbraw/zinc/11/22/76/324112276.db2.gz PVVMTTMUKGSIOT-CABCVRRESA-N 2 2 309.417 3.067 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)nc2c1 ZINC000582534012 324241969 /nfs/dbraw/zinc/24/19/69/324241969.db2.gz CZPMQSFINMOGPD-FUHWJXTLSA-N 2 2 320.440 3.454 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)[nH]c2c1 ZINC000582534012 324241973 /nfs/dbraw/zinc/24/19/73/324241973.db2.gz CZPMQSFINMOGPD-FUHWJXTLSA-N 2 2 320.440 3.454 20 0 DGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000582864236 324285499 /nfs/dbraw/zinc/28/54/99/324285499.db2.gz WTCFEVYIVMHEAC-AWEZNQCLSA-N 2 2 314.433 3.215 20 0 DGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000583198136 324325098 /nfs/dbraw/zinc/32/50/98/324325098.db2.gz ICTDXRMXVFFQIN-RTBURBONSA-N 3 2 315.505 3.148 20 0 DGADLP CC[NH2+]CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000583375571 324345741 /nfs/dbraw/zinc/34/57/41/324345741.db2.gz ZHTBADGLXMSJJF-KRWDZBQOSA-N 2 2 305.372 3.038 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000584217534 331864147 /nfs/dbraw/zinc/86/41/47/331864147.db2.gz VPDUOVMBFXDSMJ-UHFFFAOYSA-N 2 2 306.413 3.018 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000647184820 500959189 /nfs/dbraw/zinc/95/91/89/500959189.db2.gz CSPHSIBDXANUQU-KRWDZBQOSA-N 2 2 310.445 3.005 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000647184820 500959190 /nfs/dbraw/zinc/95/91/90/500959190.db2.gz CSPHSIBDXANUQU-KRWDZBQOSA-N 2 2 310.445 3.005 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000435375291 533790135 /nfs/dbraw/zinc/79/01/35/533790135.db2.gz LNNLGNJGNYFTGG-HNNXBMFYSA-N 2 2 314.429 3.053 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000435375291 533790141 /nfs/dbraw/zinc/79/01/41/533790141.db2.gz LNNLGNJGNYFTGG-HNNXBMFYSA-N 2 2 314.429 3.053 20 0 DGADLP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000415018644 533842486 /nfs/dbraw/zinc/84/24/86/533842486.db2.gz UTASXNYUQYWUNN-OAHLLOKOSA-N 3 2 323.912 3.412 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(CO)c1 ZINC000305626566 533919972 /nfs/dbraw/zinc/91/99/72/533919972.db2.gz CCUNBSATNJISGF-INIZCTEOSA-N 2 2 321.424 3.275 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccccc3F)n2)CC[C@H]1[NH3+] ZINC000430957781 533960974 /nfs/dbraw/zinc/96/09/74/533960974.db2.gz UMKYSDPKOUWOIP-XHDPSFHLSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@H]1[NH3+] ZINC000430957781 533960980 /nfs/dbraw/zinc/96/09/80/533960980.db2.gz UMKYSDPKOUWOIP-XHDPSFHLSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442873301 534004313 /nfs/dbraw/zinc/00/43/13/534004313.db2.gz KRVHOCUYFDELAT-GOSISDBHSA-N 2 2 318.509 3.298 20 0 DGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000434766213 534146953 /nfs/dbraw/zinc/14/69/53/534146953.db2.gz NFAHLJNAUMMODQ-APWZRJJASA-N 2 2 316.489 3.433 20 0 DGADLP Cc1ccn2c(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)c[nH+]c2c1 ZINC000155200867 534345376 /nfs/dbraw/zinc/34/53/76/534345376.db2.gz RZMJXPWXAHGVJG-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1ccn2c(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)c[nH+]c2c1 ZINC000155200867 534345380 /nfs/dbraw/zinc/34/53/80/534345380.db2.gz RZMJXPWXAHGVJG-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1nc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309891100 534387550 /nfs/dbraw/zinc/38/75/50/534387550.db2.gz MJMPSFVUTHXGLY-GOSISDBHSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1nc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309891100 534387554 /nfs/dbraw/zinc/38/75/54/534387554.db2.gz MJMPSFVUTHXGLY-GOSISDBHSA-N 2 2 315.486 3.453 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCCCCC1 ZINC000157560831 519816146 /nfs/dbraw/zinc/81/61/46/519816146.db2.gz BOORXVFUFAYKSN-MSOLQXFVSA-N 2 2 306.498 3.152 20 0 DGADLP Fc1ccccc1-c1csc(C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000415099993 534531014 /nfs/dbraw/zinc/53/10/14/534531014.db2.gz GDKOZUCJSFBHNN-LBPRGKRZSA-N 2 2 305.422 3.181 20 0 DGADLP CCC[N@H+](Cc1ccc(Cl)c2cccnc12)[C@H]1CC[NH2+]C1 ZINC000157542996 521683283 /nfs/dbraw/zinc/68/32/83/521683283.db2.gz CJHBVYNFWXHDOF-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@H]1CC[NH2+]C1 ZINC000157542996 521683285 /nfs/dbraw/zinc/68/32/85/521683285.db2.gz CJHBVYNFWXHDOF-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP Cc1nc(NCc2ccccc2-n2cc[nH+]c2)c2c([nH+]1)CCCC2 ZINC000302064866 534624251 /nfs/dbraw/zinc/62/42/51/534624251.db2.gz CLRIPWBGFSICPR-UHFFFAOYSA-N 2 2 319.412 3.462 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294682561 534683988 /nfs/dbraw/zinc/68/39/88/534683988.db2.gz FFFPPSKTLVGBHG-MRXNPFEDSA-N 2 2 313.445 3.426 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000158268711 524927282 /nfs/dbraw/zinc/92/72/82/524927282.db2.gz UNZBDBFIBLCUJK-CMPLNLGQSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2Br)CC[N@H+]1C ZINC000158268711 524927291 /nfs/dbraw/zinc/92/72/91/524927291.db2.gz UNZBDBFIBLCUJK-CMPLNLGQSA-N 2 2 315.230 3.161 20 0 DGADLP Cc1cccn2c(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)c[nH+]c12 ZINC000155224141 534841667 /nfs/dbraw/zinc/84/16/67/534841667.db2.gz AJVUBXRXFBJTSM-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1cccn2c(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)c[nH+]c12 ZINC000155224141 534841677 /nfs/dbraw/zinc/84/16/77/534841677.db2.gz AJVUBXRXFBJTSM-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Br)CC[N@@H+]1C ZINC000158268864 525268238 /nfs/dbraw/zinc/26/82/38/525268238.db2.gz UNZBDBFIBLCUJK-PWSUYJOCSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Br)CC[N@H+]1C ZINC000158268864 525268244 /nfs/dbraw/zinc/26/82/44/525268244.db2.gz UNZBDBFIBLCUJK-PWSUYJOCSA-N 2 2 315.230 3.161 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+]CCc1ccccc1OC(F)(F)F ZINC000415081669 526332793 /nfs/dbraw/zinc/33/27/93/526332793.db2.gz KRRRPIYGKFZZMA-UHFFFAOYSA-N 2 2 304.356 3.105 20 0 DGADLP Brc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000415082081 526644279 /nfs/dbraw/zinc/64/42/79/526644279.db2.gz LRAIIEFTYQHYKF-LSDHHAIUSA-N 2 2 309.251 3.242 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000430589860 527262610 /nfs/dbraw/zinc/26/26/10/527262610.db2.gz JFOBGCYURFXEQQ-ZDUSSCGKSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)n1 ZINC000430589860 527262619 /nfs/dbraw/zinc/26/26/19/527262619.db2.gz JFOBGCYURFXEQQ-ZDUSSCGKSA-N 2 2 320.824 3.254 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000295027871 527276476 /nfs/dbraw/zinc/27/64/76/527276476.db2.gz MSBNLJHWSOCTCE-IBGZPJMESA-N 2 2 300.446 3.340 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000295027871 527276481 /nfs/dbraw/zinc/27/64/81/527276481.db2.gz MSBNLJHWSOCTCE-IBGZPJMESA-N 2 2 300.446 3.340 20 0 DGADLP CCCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CC[NH2+]CC1 ZINC000415739153 527768673 /nfs/dbraw/zinc/76/86/73/527768673.db2.gz UQNFWPCVTPBLGA-UHFFFAOYSA-N 2 2 304.438 3.003 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000428104652 527881491 /nfs/dbraw/zinc/88/14/91/527881491.db2.gz XEKAMADRUALVID-SOAGJPPSSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000428104652 527881495 /nfs/dbraw/zinc/88/14/95/527881495.db2.gz XEKAMADRUALVID-SOAGJPPSSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)CCn1nc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c2ccccc21 ZINC000423151939 527888435 /nfs/dbraw/zinc/88/84/35/527888435.db2.gz KWSSXGKUILZZQE-CVEARBPZSA-N 2 2 300.450 3.052 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(SC)cc1 ZINC000177328210 527899828 /nfs/dbraw/zinc/89/98/28/527899828.db2.gz IMKKFDGVJBSNDF-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(SC)cc1 ZINC000177328210 527899831 /nfs/dbraw/zinc/89/98/31/527899831.db2.gz IMKKFDGVJBSNDF-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(SC)cc1 ZINC000177328210 527899838 /nfs/dbraw/zinc/89/98/38/527899838.db2.gz IMKKFDGVJBSNDF-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(SC)cc1 ZINC000177328210 527899842 /nfs/dbraw/zinc/89/98/42/527899842.db2.gz IMKKFDGVJBSNDF-CVEARBPZSA-N 2 2 320.502 3.346 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435614523 528010939 /nfs/dbraw/zinc/01/09/39/528010939.db2.gz MPXOADYEXUMJKK-UKRRQHHQSA-N 2 2 311.495 3.205 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435614523 528010943 /nfs/dbraw/zinc/01/09/43/528010943.db2.gz MPXOADYEXUMJKK-UKRRQHHQSA-N 2 2 311.495 3.205 20 0 DGADLP CCC[N@H+](Cc1ncc(-c2ccccc2F)o1)C1CC[NH2+]CC1 ZINC000431067895 528155689 /nfs/dbraw/zinc/15/56/89/528155689.db2.gz RXQNITUZSMTXCP-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP CCC[N@@H+](Cc1ncc(-c2ccccc2F)o1)C1CC[NH2+]CC1 ZINC000431067895 528155696 /nfs/dbraw/zinc/15/56/96/528155696.db2.gz RXQNITUZSMTXCP-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP CC1CCC([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415123446 528200733 /nfs/dbraw/zinc/20/07/33/528200733.db2.gz AWWMOPGEQVPLMZ-UHFFFAOYSA-N 3 2 315.505 3.148 20 0 DGADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000432411554 528219733 /nfs/dbraw/zinc/21/97/33/528219733.db2.gz ZDDDDQAHJBFNKU-IRXDYDNUSA-N 2 2 305.466 3.013 20 0 DGADLP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000432411554 528219736 /nfs/dbraw/zinc/21/97/36/528219736.db2.gz ZDDDDQAHJBFNKU-IRXDYDNUSA-N 2 2 305.466 3.013 20 0 DGADLP CC(C)C[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415132381 528266869 /nfs/dbraw/zinc/26/68/69/528266869.db2.gz LBQUZZRXHFRHRM-QGZVFWFLSA-N 3 2 303.494 3.004 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423400781 528421684 /nfs/dbraw/zinc/42/16/84/528421684.db2.gz XDPNZUFURRRXHE-COXVUDFISA-N 2 2 310.869 3.018 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000319352804 528461767 /nfs/dbraw/zinc/46/17/67/528461767.db2.gz NCAIUWIGZBLASC-UHFFFAOYSA-N 2 2 304.482 3.128 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000317290790 528509384 /nfs/dbraw/zinc/50/93/84/528509384.db2.gz SEMDIAXDPLVWAO-AWEZNQCLSA-N 2 2 322.840 3.195 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000317290790 528509389 /nfs/dbraw/zinc/50/93/89/528509389.db2.gz SEMDIAXDPLVWAO-AWEZNQCLSA-N 2 2 322.840 3.195 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000430567621 528860370 /nfs/dbraw/zinc/86/03/70/528860370.db2.gz FBHBONVJEIWCGV-GOSISDBHSA-N 2 2 317.502 3.391 20 0 DGADLP CC[N@H+](Cc1ncc(-c2cccs2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435629041 528887753 /nfs/dbraw/zinc/88/77/53/528887753.db2.gz SMIRJXHNBAATLB-CYBMUJFWSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1ncc(-c2cccs2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435629041 528887758 /nfs/dbraw/zinc/88/77/58/528887758.db2.gz SMIRJXHNBAATLB-CYBMUJFWSA-N 2 2 305.447 3.367 20 0 DGADLP CC1(C)CC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415139890 529028795 /nfs/dbraw/zinc/02/87/95/529028795.db2.gz XLVRAIJAFORMJC-GOSISDBHSA-N 3 2 315.505 3.148 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000434682170 529087297 /nfs/dbraw/zinc/08/72/97/529087297.db2.gz ASUJFQOFZVDPRX-CQSZACIVSA-N 2 2 314.433 3.416 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435614517 529103179 /nfs/dbraw/zinc/10/31/79/529103179.db2.gz MPXOADYEXUMJKK-DZGCQCFKSA-N 2 2 311.495 3.205 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435614517 529103181 /nfs/dbraw/zinc/10/31/81/529103181.db2.gz MPXOADYEXUMJKK-DZGCQCFKSA-N 2 2 311.495 3.205 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089959 534958734 /nfs/dbraw/zinc/95/87/34/534958734.db2.gz FPBXDXSDOXNRHD-BXUZGUMPSA-N 2 2 312.379 3.413 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089959 534958740 /nfs/dbraw/zinc/95/87/40/534958740.db2.gz FPBXDXSDOXNRHD-BXUZGUMPSA-N 2 2 312.379 3.413 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(CF)CC3)sc2C1 ZINC000449462517 535252287 /nfs/dbraw/zinc/25/22/87/535252287.db2.gz VKXHUAASDGPFCK-UHFFFAOYSA-N 2 2 311.470 3.091 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(CF)CC3)sc2C1 ZINC000449462517 535252290 /nfs/dbraw/zinc/25/22/90/535252290.db2.gz VKXHUAASDGPFCK-UHFFFAOYSA-N 2 2 311.470 3.091 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000455506654 535259038 /nfs/dbraw/zinc/25/90/38/535259038.db2.gz YKHGAWYESBRGJY-INIZCTEOSA-N 2 2 318.465 3.202 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000455506654 535259044 /nfs/dbraw/zinc/25/90/44/535259044.db2.gz YKHGAWYESBRGJY-INIZCTEOSA-N 2 2 318.465 3.202 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488371394 535264387 /nfs/dbraw/zinc/26/43/87/535264387.db2.gz STJYANLQNNCWOR-DOTOQJQBSA-N 2 2 301.459 3.492 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000488417433 535269735 /nfs/dbraw/zinc/26/97/35/535269735.db2.gz DPGQSJCQBBRYMM-KURKYZTESA-N 2 2 306.519 3.279 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CCC1 ZINC000449203598 535809812 /nfs/dbraw/zinc/80/98/12/535809812.db2.gz HKZLAHGVTQKESU-DLBZAZTESA-N 2 2 302.466 3.213 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCO1 ZINC000449133614 535902130 /nfs/dbraw/zinc/90/21/30/535902130.db2.gz YYOLKIMNYVXRRS-OQIJWPOYSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCO1 ZINC000449133614 535902133 /nfs/dbraw/zinc/90/21/33/535902133.db2.gz YYOLKIMNYVXRRS-OQIJWPOYSA-N 2 2 302.462 3.369 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481255 536854747 /nfs/dbraw/zinc/85/47/47/536854747.db2.gz RSVBPEIYZXMBEY-UKPHBRMFSA-N 2 2 322.880 3.285 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481255 536854754 /nfs/dbraw/zinc/85/47/54/536854754.db2.gz RSVBPEIYZXMBEY-UKPHBRMFSA-N 2 2 322.880 3.285 20 0 DGADLP COc1ccc2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)sc2c1 ZINC000449560691 537053799 /nfs/dbraw/zinc/05/37/99/537053799.db2.gz ONBUARAOZFDKQZ-YHWZYXNKSA-N 2 2 317.458 3.020 20 0 DGADLP COc1ccc2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2c1 ZINC000449560691 537053800 /nfs/dbraw/zinc/05/38/00/537053800.db2.gz ONBUARAOZFDKQZ-YHWZYXNKSA-N 2 2 317.458 3.020 20 0 DGADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000088671268 545811111 /nfs/dbraw/zinc/81/11/11/545811111.db2.gz BHQAJHGCGZUUPK-LPHOPBHVSA-N 2 2 313.489 3.038 20 0 DGADLP CC[C@H](CCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188803 545824593 /nfs/dbraw/zinc/82/45/93/545824593.db2.gz LJTVFZSJXUNQRB-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](CCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188803 545824597 /nfs/dbraw/zinc/82/45/97/545824597.db2.gz LJTVFZSJXUNQRB-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125260600 545915849 /nfs/dbraw/zinc/91/58/49/545915849.db2.gz SMRQEYVUIBXGGJ-CYBMUJFWSA-N 2 2 303.356 3.243 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@](C)(CO)C3CCCCC3)n2c1 ZINC000157062183 546038279 /nfs/dbraw/zinc/03/82/79/546038279.db2.gz ISFQXRDNGSJYPV-SFHVURJKSA-N 2 2 301.434 3.064 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159324940 546052793 /nfs/dbraw/zinc/05/27/93/546052793.db2.gz DMSJNWVLTXPVCH-RISCZKNCSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159324940 546052797 /nfs/dbraw/zinc/05/27/97/546052797.db2.gz DMSJNWVLTXPVCH-RISCZKNCSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167410733 546097467 /nfs/dbraw/zinc/09/74/67/546097467.db2.gz IBERGZXKEZDOOR-HZMBPMFUSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167410733 546097470 /nfs/dbraw/zinc/09/74/70/546097470.db2.gz IBERGZXKEZDOOR-HZMBPMFUSA-N 2 2 304.331 3.404 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(C)C)no2)[C@H](C)C1 ZINC000169234341 546098472 /nfs/dbraw/zinc/09/84/72/546098472.db2.gz DACHBRJOCBEMPM-WBVHZDCISA-N 2 2 323.481 3.025 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(C)C)no2)[C@H](C)C1 ZINC000169234341 546098478 /nfs/dbraw/zinc/09/84/78/546098478.db2.gz DACHBRJOCBEMPM-WBVHZDCISA-N 2 2 323.481 3.025 20 0 DGADLP COc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1F ZINC000192678723 546235668 /nfs/dbraw/zinc/23/56/68/546235668.db2.gz MWHRXBDRBPPFQO-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP Cc1ccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000230502974 546273881 /nfs/dbraw/zinc/27/38/81/546273881.db2.gz OLSHRXAATZZLRC-UHFFFAOYSA-N 2 2 324.468 3.459 20 0 DGADLP Cc1ccc(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000230502974 546273887 /nfs/dbraw/zinc/27/38/87/546273887.db2.gz OLSHRXAATZZLRC-UHFFFAOYSA-N 2 2 324.468 3.459 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000237123286 546283885 /nfs/dbraw/zinc/28/38/85/546283885.db2.gz NJSYVQAEKGRYTN-GUDVDZBRSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000237123286 546283889 /nfs/dbraw/zinc/28/38/89/546283889.db2.gz NJSYVQAEKGRYTN-GUDVDZBRSA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993342 546307995 /nfs/dbraw/zinc/30/79/95/546307995.db2.gz KITKKVJTBXVRFJ-CPUCHLNUSA-N 2 2 300.450 3.332 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993342 546307998 /nfs/dbraw/zinc/30/79/98/546307998.db2.gz KITKKVJTBXVRFJ-CPUCHLNUSA-N 2 2 300.450 3.332 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)c(C)c2)CC[C@H]1[NH3+] ZINC000251862421 546330709 /nfs/dbraw/zinc/33/07/09/546330709.db2.gz SYSAXHGOWAVMCZ-DZGCQCFKSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)c(C)c2)CC[C@H]1[NH3+] ZINC000251862421 546330711 /nfs/dbraw/zinc/33/07/11/546330711.db2.gz SYSAXHGOWAVMCZ-DZGCQCFKSA-N 2 2 311.267 3.317 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC000280177895 546380872 /nfs/dbraw/zinc/38/08/72/546380872.db2.gz RNFAXCAWIWATLO-XKQJLSEDSA-N 2 2 318.461 3.009 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)CC2 ZINC000280177895 546380877 /nfs/dbraw/zinc/38/08/77/546380877.db2.gz RNFAXCAWIWATLO-XKQJLSEDSA-N 2 2 318.461 3.009 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ncc[nH]1 ZINC000286277488 546401405 /nfs/dbraw/zinc/40/14/05/546401405.db2.gz VPFOUGANBZAJGN-INIZCTEOSA-N 2 2 312.461 3.492 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697922 546408088 /nfs/dbraw/zinc/40/80/88/546408088.db2.gz WZDBUGJEEVAVSA-DOTOQJQBSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ncc[nH]1 ZINC000287697922 546408094 /nfs/dbraw/zinc/40/80/94/546408094.db2.gz WZDBUGJEEVAVSA-DOTOQJQBSA-N 2 2 312.461 3.361 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303491100 546439963 /nfs/dbraw/zinc/43/99/63/546439963.db2.gz LEHKXCMVMIIAOA-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303491100 546439968 /nfs/dbraw/zinc/43/99/68/546439968.db2.gz LEHKXCMVMIIAOA-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000318746269 546462849 /nfs/dbraw/zinc/46/28/49/546462849.db2.gz YJFOONXNVNQQDG-QRVBRYPASA-N 2 2 302.462 3.371 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339076123 546533187 /nfs/dbraw/zinc/53/31/87/546533187.db2.gz SSWNJQVNTOIPLH-SJORKVTESA-N 2 2 315.461 3.119 20 0 DGADLP c1cnc(OC2CCCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339076123 546533193 /nfs/dbraw/zinc/53/31/93/546533193.db2.gz SSWNJQVNTOIPLH-SJORKVTESA-N 2 2 315.461 3.119 20 0 DGADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]C2CCCCC2)CCC[N@@H+]1C1CC1 ZINC000343397846 546562882 /nfs/dbraw/zinc/56/28/82/546562882.db2.gz MDHJAPIUSQUNSC-BEFAXECRSA-N 2 2 316.493 3.258 20 0 DGADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]C2CCCCC2)CCC[N@H+]1C1CC1 ZINC000343397846 546562884 /nfs/dbraw/zinc/56/28/84/546562884.db2.gz MDHJAPIUSQUNSC-BEFAXECRSA-N 2 2 316.493 3.258 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255021 546583769 /nfs/dbraw/zinc/58/37/69/546583769.db2.gz UEPUUWPIEDKAJP-VQIMIIECSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255021 546583775 /nfs/dbraw/zinc/58/37/75/546583775.db2.gz UEPUUWPIEDKAJP-VQIMIIECSA-N 2 2 314.473 3.198 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c[nH+]1 ZINC000348711487 546592703 /nfs/dbraw/zinc/59/27/03/546592703.db2.gz RHERQIGKOOWKJQ-LEWJYISDSA-N 2 2 324.468 3.421 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c[nH+]1 ZINC000348711487 546592705 /nfs/dbraw/zinc/59/27/05/546592705.db2.gz RHERQIGKOOWKJQ-LEWJYISDSA-N 2 2 324.468 3.421 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817136 546759667 /nfs/dbraw/zinc/75/96/67/546759667.db2.gz FQEZNDNZYULYMK-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817136 546759671 /nfs/dbraw/zinc/75/96/71/546759671.db2.gz FQEZNDNZYULYMK-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414951574 546791068 /nfs/dbraw/zinc/79/10/68/546791068.db2.gz HJFVLKYXLBPBAW-LLVKDONJSA-N 2 2 322.250 3.085 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CCCCCc2ccc(F)cc2)n1C ZINC000419681040 546804372 /nfs/dbraw/zinc/80/43/72/546804372.db2.gz HYOJEMBXANVLBB-UHFFFAOYSA-N 2 2 318.440 3.128 20 0 DGADLP Cc1cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000436438732 546823742 /nfs/dbraw/zinc/82/37/42/546823742.db2.gz YKJJFYXLTJDSMT-HZPDHXFCSA-N 2 2 310.445 3.193 20 0 DGADLP COc1cccnc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453364307 546859605 /nfs/dbraw/zinc/85/96/05/546859605.db2.gz MYONIJAFHSSNBB-FUHWJXTLSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453364307 546859611 /nfs/dbraw/zinc/85/96/11/546859611.db2.gz MYONIJAFHSSNBB-FUHWJXTLSA-N 2 2 311.429 3.015 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC000453372824 546860157 /nfs/dbraw/zinc/86/01/57/546860157.db2.gz VBMKOSDISBWRES-WMZOPIPTSA-N 2 2 311.429 3.477 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC000453372824 546860161 /nfs/dbraw/zinc/86/01/61/546860161.db2.gz VBMKOSDISBWRES-WMZOPIPTSA-N 2 2 311.429 3.477 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC000453372821 546860565 /nfs/dbraw/zinc/86/05/65/546860565.db2.gz VBMKOSDISBWRES-AEFFLSMTSA-N 2 2 311.429 3.477 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C[C@H]1c1ccccc1 ZINC000453372821 546860569 /nfs/dbraw/zinc/86/05/69/546860569.db2.gz VBMKOSDISBWRES-AEFFLSMTSA-N 2 2 311.429 3.477 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000551063713 546996827 /nfs/dbraw/zinc/99/68/27/546996827.db2.gz ZGCWLPHYEDSKME-AABGKKOBSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000551063713 546996833 /nfs/dbraw/zinc/99/68/33/546996833.db2.gz ZGCWLPHYEDSKME-AABGKKOBSA-N 2 2 310.441 3.145 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2F)CC1 ZINC000667494104 547201742 /nfs/dbraw/zinc/20/17/42/547201742.db2.gz NIKWDTSRXRPERU-UHFFFAOYSA-N 2 2 300.368 3.409 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2F)CC1 ZINC000667494104 547201744 /nfs/dbraw/zinc/20/17/44/547201744.db2.gz NIKWDTSRXRPERU-UHFFFAOYSA-N 2 2 300.368 3.409 20 0 DGADLP Fc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1F ZINC000667501805 547204431 /nfs/dbraw/zinc/20/44/31/547204431.db2.gz LWWAUPHCWHCILE-UHFFFAOYSA-N 2 2 312.379 3.412 20 0 DGADLP c1[nH+]c2n(c1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)CCC2 ZINC000667549655 547220976 /nfs/dbraw/zinc/22/09/76/547220976.db2.gz SJOAAVNGTKXSFJ-GOSISDBHSA-N 2 2 311.429 3.011 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)CCC2 ZINC000667549655 547220978 /nfs/dbraw/zinc/22/09/78/547220978.db2.gz SJOAAVNGTKXSFJ-GOSISDBHSA-N 2 2 311.429 3.011 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Oc3cc(C)ccc3C)CC2)n1C ZINC000667547821 547221608 /nfs/dbraw/zinc/22/16/08/547221608.db2.gz YZEKZFRXKZUDHE-UHFFFAOYSA-N 2 2 313.445 3.389 20 0 DGADLP COC[C@@H](C)Oc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000667570668 547232232 /nfs/dbraw/zinc/23/22/32/547232232.db2.gz DQZOOEURWHKVNC-MRXNPFEDSA-N 2 2 320.477 3.063 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@@H+]1C ZINC000667667444 547267069 /nfs/dbraw/zinc/26/70/69/547267069.db2.gz NAUCSGGMMAADCZ-UKRRQHHQSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667444 547267076 /nfs/dbraw/zinc/26/70/76/547267076.db2.gz NAUCSGGMMAADCZ-UKRRQHHQSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667444 547267083 /nfs/dbraw/zinc/26/70/83/547267083.db2.gz NAUCSGGMMAADCZ-UKRRQHHQSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667444 547267089 /nfs/dbraw/zinc/26/70/89/547267089.db2.gz NAUCSGGMMAADCZ-UKRRQHHQSA-N 2 2 306.425 3.281 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681193 547273017 /nfs/dbraw/zinc/27/30/17/547273017.db2.gz CGWSQZZQNVPBLS-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681193 547273021 /nfs/dbraw/zinc/27/30/21/547273021.db2.gz CGWSQZZQNVPBLS-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681193 547273023 /nfs/dbraw/zinc/27/30/23/547273023.db2.gz CGWSQZZQNVPBLS-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000667681193 547273026 /nfs/dbraw/zinc/27/30/26/547273026.db2.gz CGWSQZZQNVPBLS-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP Clc1ccccc1O[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667685522 547274164 /nfs/dbraw/zinc/27/41/64/547274164.db2.gz CHYRAQGVIQKGHT-CQSZACIVSA-N 2 2 317.820 3.136 20 0 DGADLP Clc1ccccc1O[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667685522 547274170 /nfs/dbraw/zinc/27/41/70/547274170.db2.gz CHYRAQGVIQKGHT-CQSZACIVSA-N 2 2 317.820 3.136 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1)[NH+](C)C ZINC000668036057 547367125 /nfs/dbraw/zinc/36/71/25/547367125.db2.gz BXQXLCPUIQGMGB-WLWJZTKJSA-N 2 2 302.462 3.143 20 0 DGADLP Cc1cccc2c1C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000668063635 547372752 /nfs/dbraw/zinc/37/27/52/547372752.db2.gz QXTWIBHARHKYIZ-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)n1C ZINC000668082301 547376739 /nfs/dbraw/zinc/37/67/39/547376739.db2.gz LXZDPEALBHEEOU-UHFFFAOYSA-N 2 2 316.405 3.281 20 0 DGADLP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668170348 547401322 /nfs/dbraw/zinc/40/13/22/547401322.db2.gz LOTQWPZFYKMNTP-MRXNPFEDSA-N 2 2 313.449 3.287 20 0 DGADLP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668170348 547401327 /nfs/dbraw/zinc/40/13/27/547401327.db2.gz LOTQWPZFYKMNTP-MRXNPFEDSA-N 2 2 313.449 3.287 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173594 547402262 /nfs/dbraw/zinc/40/22/62/547402262.db2.gz MKVJXWNLJQHCOV-QZTJIDSGSA-N 2 2 313.445 3.406 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173594 547402265 /nfs/dbraw/zinc/40/22/65/547402265.db2.gz MKVJXWNLJQHCOV-QZTJIDSGSA-N 2 2 313.445 3.406 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1O ZINC000668432332 547454923 /nfs/dbraw/zinc/45/49/23/547454923.db2.gz PUHNDOKBVLWCFO-HOCLYGCPSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1O ZINC000668432332 547454926 /nfs/dbraw/zinc/45/49/26/547454926.db2.gz PUHNDOKBVLWCFO-HOCLYGCPSA-N 2 2 320.477 3.184 20 0 DGADLP C[C@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000668538825 547474540 /nfs/dbraw/zinc/47/45/40/547474540.db2.gz HMXZWYXNPJOBGD-GFCCVEGCSA-N 2 2 300.368 3.302 20 0 DGADLP C[C@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000668538825 547474544 /nfs/dbraw/zinc/47/45/44/547474544.db2.gz HMXZWYXNPJOBGD-GFCCVEGCSA-N 2 2 300.368 3.302 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)n1C ZINC000668678289 547507192 /nfs/dbraw/zinc/50/71/92/547507192.db2.gz GWIROMZUMUZTDI-ZDUSSCGKSA-N 2 2 319.836 3.385 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)n1C ZINC000668678289 547507197 /nfs/dbraw/zinc/50/71/97/547507197.db2.gz GWIROMZUMUZTDI-ZDUSSCGKSA-N 2 2 319.836 3.385 20 0 DGADLP CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000668690034 547509329 /nfs/dbraw/zinc/50/93/29/547509329.db2.gz JMAZIKOVCTYNEK-KRWDZBQOSA-N 2 2 306.413 3.045 20 0 DGADLP Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc21 ZINC000668787964 547542264 /nfs/dbraw/zinc/54/22/64/547542264.db2.gz WOSACUKDRUEVJU-KRWDZBQOSA-N 2 2 315.461 3.019 20 0 DGADLP Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc21 ZINC000668787964 547542267 /nfs/dbraw/zinc/54/22/67/547542267.db2.gz WOSACUKDRUEVJU-KRWDZBQOSA-N 2 2 315.461 3.019 20 0 DGADLP COCC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000669685358 547672093 /nfs/dbraw/zinc/67/20/93/547672093.db2.gz ATBVTHNBZAQLCH-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000669685358 547672096 /nfs/dbraw/zinc/67/20/96/547672096.db2.gz ATBVTHNBZAQLCH-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986101 547767313 /nfs/dbraw/zinc/76/73/13/547767313.db2.gz QANCNXKUCLUXEX-ZBFHGGJFSA-N 2 2 324.415 3.213 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986101 547767315 /nfs/dbraw/zinc/76/73/15/547767315.db2.gz QANCNXKUCLUXEX-ZBFHGGJFSA-N 2 2 324.415 3.213 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)[N@@H+]1CCc2ccccc2C1 ZINC000671098899 547769505 /nfs/dbraw/zinc/76/95/05/547769505.db2.gz ZDUJTEIFPWWNCB-MAUKXSAKSA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)[N@H+]1CCc2ccccc2C1 ZINC000671098899 547769509 /nfs/dbraw/zinc/76/95/09/547769509.db2.gz ZDUJTEIFPWWNCB-MAUKXSAKSA-N 2 2 304.478 3.226 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000671293989 547784799 /nfs/dbraw/zinc/78/47/99/547784799.db2.gz KIQKJNZMTPSDJX-KFKAGJAMSA-N 2 2 302.462 3.263 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306187 547786823 /nfs/dbraw/zinc/78/68/23/547786823.db2.gz PJSLOWRPXAOLQL-INIZCTEOSA-N 2 2 304.482 3.080 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306187 547786828 /nfs/dbraw/zinc/78/68/28/547786828.db2.gz PJSLOWRPXAOLQL-INIZCTEOSA-N 2 2 304.482 3.080 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306187 547786830 /nfs/dbraw/zinc/78/68/30/547786830.db2.gz PJSLOWRPXAOLQL-INIZCTEOSA-N 2 2 304.482 3.080 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(C(C)(C)C)nc1 ZINC000671306187 547786834 /nfs/dbraw/zinc/78/68/34/547786834.db2.gz PJSLOWRPXAOLQL-INIZCTEOSA-N 2 2 304.482 3.080 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767805 547831575 /nfs/dbraw/zinc/83/15/75/547831575.db2.gz NEVUBVJSXJKTLS-OIISXLGYSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767805 547831578 /nfs/dbraw/zinc/83/15/78/547831578.db2.gz NEVUBVJSXJKTLS-OIISXLGYSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675498319 548226596 /nfs/dbraw/zinc/22/65/96/548226596.db2.gz PQIPDWVHWTZVKN-ZDUSSCGKSA-N 2 2 303.356 3.243 20 0 DGADLP C[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739836 548262296 /nfs/dbraw/zinc/26/22/96/548262296.db2.gz XZRAKBZMODZLLI-INIZCTEOSA-N 2 2 313.445 3.226 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000675768449 548266970 /nfs/dbraw/zinc/26/69/70/548266970.db2.gz YDDAMTATRGHXLO-KGLIPLIRSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000675768449 548266974 /nfs/dbraw/zinc/26/69/74/548266974.db2.gz YDDAMTATRGHXLO-KGLIPLIRSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787665 548271545 /nfs/dbraw/zinc/27/15/45/548271545.db2.gz FKOVBHZYBALARK-XIKOKIGWSA-N 2 2 317.864 3.436 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000675787665 548271551 /nfs/dbraw/zinc/27/15/51/548271551.db2.gz FKOVBHZYBALARK-XIKOKIGWSA-N 2 2 317.864 3.436 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)C)no2)[C@@H](C)C1 ZINC000675882177 548284895 /nfs/dbraw/zinc/28/48/95/548284895.db2.gz DACHBRJOCBEMPM-DOTOQJQBSA-N 2 2 323.481 3.025 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)C)no2)[C@@H](C)C1 ZINC000675882177 548284898 /nfs/dbraw/zinc/28/48/98/548284898.db2.gz DACHBRJOCBEMPM-DOTOQJQBSA-N 2 2 323.481 3.025 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000676571218 548382237 /nfs/dbraw/zinc/38/22/37/548382237.db2.gz BTCLMHBANBACGB-GDAAHCPNSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000676571218 548382239 /nfs/dbraw/zinc/38/22/39/548382239.db2.gz BTCLMHBANBACGB-GDAAHCPNSA-N 2 2 302.462 3.369 20 0 DGADLP CCc1cc(NC2CC[NH+](CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000676876515 548425660 /nfs/dbraw/zinc/42/56/60/548425660.db2.gz PRQBABVBVVYGQM-UHFFFAOYSA-N 2 2 319.399 3.361 20 0 DGADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676883693 548427572 /nfs/dbraw/zinc/42/75/72/548427572.db2.gz OCGWAQFNDOLHQH-FPMFFAJLSA-N 2 2 317.820 3.207 20 0 DGADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676883693 548427576 /nfs/dbraw/zinc/42/75/76/548427576.db2.gz OCGWAQFNDOLHQH-FPMFFAJLSA-N 2 2 317.820 3.207 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748644 548549434 /nfs/dbraw/zinc/54/94/34/548549434.db2.gz BPQGLHSILQVYOR-HKUYNNGSSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748644 548549435 /nfs/dbraw/zinc/54/94/35/548549435.db2.gz BPQGLHSILQVYOR-HKUYNNGSSA-N 2 2 304.478 3.180 20 0 DGADLP CO[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749603 548550271 /nfs/dbraw/zinc/55/02/71/548550271.db2.gz KWWYDYYADQOMRI-MSOLQXFVSA-N 2 2 304.478 3.300 20 0 DGADLP CO[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749603 548550284 /nfs/dbraw/zinc/55/02/84/548550284.db2.gz KWWYDYYADQOMRI-MSOLQXFVSA-N 2 2 304.478 3.300 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCOCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806428 548558570 /nfs/dbraw/zinc/55/85/70/548558570.db2.gz ZZVYIPHVJOEGQY-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCOCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000677806428 548558574 /nfs/dbraw/zinc/55/85/74/548558574.db2.gz ZZVYIPHVJOEGQY-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806686 548558925 /nfs/dbraw/zinc/55/89/25/548558925.db2.gz JOLHZGHOUQPAPI-OTWHNJEPSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@H+]1Cc1ccccc1 ZINC000677806686 548558928 /nfs/dbraw/zinc/55/89/28/548558928.db2.gz JOLHZGHOUQPAPI-OTWHNJEPSA-N 2 2 316.489 3.180 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000678160209 548629014 /nfs/dbraw/zinc/62/90/14/548629014.db2.gz PNXHKTYFNDMEHZ-INIZCTEOSA-N 2 2 314.433 3.293 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000678160209 548629016 /nfs/dbraw/zinc/62/90/16/548629016.db2.gz PNXHKTYFNDMEHZ-INIZCTEOSA-N 2 2 314.433 3.293 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234856 548648976 /nfs/dbraw/zinc/64/89/76/548648976.db2.gz MJMYVJJWPNGIOL-ZFWWWQNUSA-N 2 2 318.446 3.028 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234856 548648977 /nfs/dbraw/zinc/64/89/77/548648977.db2.gz MJMYVJJWPNGIOL-ZFWWWQNUSA-N 2 2 318.446 3.028 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235282 548649767 /nfs/dbraw/zinc/64/97/67/548649767.db2.gz QDVUSLXTFOVRKQ-MRXNPFEDSA-N 2 2 315.417 3.046 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235282 548649770 /nfs/dbraw/zinc/64/97/70/548649770.db2.gz QDVUSLXTFOVRKQ-MRXNPFEDSA-N 2 2 315.417 3.046 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCOc2ccccc21 ZINC000678334436 548681783 /nfs/dbraw/zinc/68/17/83/548681783.db2.gz MOOQMZHYQYKPPR-ZACQAIPSSA-N 2 2 300.446 3.111 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCOc2ccccc21 ZINC000678334436 548681785 /nfs/dbraw/zinc/68/17/85/548681785.db2.gz MOOQMZHYQYKPPR-ZACQAIPSSA-N 2 2 300.446 3.111 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCOc2ccccc21 ZINC000678334436 548681791 /nfs/dbraw/zinc/68/17/91/548681791.db2.gz MOOQMZHYQYKPPR-ZACQAIPSSA-N 2 2 300.446 3.111 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCOc2ccccc21 ZINC000678334436 548681794 /nfs/dbraw/zinc/68/17/94/548681794.db2.gz MOOQMZHYQYKPPR-ZACQAIPSSA-N 2 2 300.446 3.111 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343301 548684463 /nfs/dbraw/zinc/68/44/63/548684463.db2.gz PIXFDOGGZPLFSX-IRXDYDNUSA-N 2 2 319.468 3.103 20 0 DGADLP Clc1ccc(OC2CCCC2)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678343361 548684592 /nfs/dbraw/zinc/68/45/92/548684592.db2.gz RRWQMEFZUIIISE-HUUCEWRRSA-N 2 2 320.864 3.313 20 0 DGADLP CC1CCC([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000678929322 548794791 /nfs/dbraw/zinc/79/47/91/548794791.db2.gz FOZLHMRKXFPFCM-UUKMXZOPSA-N 2 2 316.489 3.182 20 0 DGADLP CC1CCC([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678929322 548794796 /nfs/dbraw/zinc/79/47/96/548794796.db2.gz FOZLHMRKXFPFCM-UUKMXZOPSA-N 2 2 316.489 3.182 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991873 548808221 /nfs/dbraw/zinc/80/82/21/548808221.db2.gz DGPMXEFEBLEQNL-UONOGXRCSA-N 2 2 307.507 3.327 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991873 548808225 /nfs/dbraw/zinc/80/82/25/548808225.db2.gz DGPMXEFEBLEQNL-UONOGXRCSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991873 548808229 /nfs/dbraw/zinc/80/82/29/548808229.db2.gz DGPMXEFEBLEQNL-UONOGXRCSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991873 548808235 /nfs/dbraw/zinc/80/82/35/548808235.db2.gz DGPMXEFEBLEQNL-UONOGXRCSA-N 2 2 307.507 3.327 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042296 548821779 /nfs/dbraw/zinc/82/17/79/548821779.db2.gz ABNCDTIMTXXZMH-FXAWDEMLSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042296 548821782 /nfs/dbraw/zinc/82/17/82/548821782.db2.gz ABNCDTIMTXXZMH-FXAWDEMLSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000679347407 548883377 /nfs/dbraw/zinc/88/33/77/548883377.db2.gz XSYBYTRKZZGTRB-DOXZYTNZSA-N 2 2 312.461 3.279 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000679347407 548883380 /nfs/dbraw/zinc/88/33/80/548883380.db2.gz XSYBYTRKZZGTRB-DOXZYTNZSA-N 2 2 312.461 3.279 20 0 DGADLP C[N@H+](Cc1ccc(O)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000679393369 548891507 /nfs/dbraw/zinc/89/15/07/548891507.db2.gz WXPYEJAYJKQLJL-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP C[N@@H+](Cc1ccc(O)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000679393369 548891512 /nfs/dbraw/zinc/89/15/12/548891512.db2.gz WXPYEJAYJKQLJL-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000679576254 548920146 /nfs/dbraw/zinc/92/01/46/548920146.db2.gz VIXYKHDGMGBHLJ-NSHDSACASA-N 2 2 300.315 3.181 20 0 DGADLP CCC1(O)CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000679577852 548921269 /nfs/dbraw/zinc/92/12/69/548921269.db2.gz WCPRKOKIIIVJNI-UHFFFAOYSA-N 2 2 322.415 3.077 20 0 DGADLP Clc1cc2c(c(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c1)OCC2 ZINC000679986223 548973873 /nfs/dbraw/zinc/97/38/73/548973873.db2.gz YPYWHXGGTSULLE-MRXNPFEDSA-N 2 2 317.820 3.309 20 0 DGADLP Clc1cc2c(c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c1)OCC2 ZINC000679986223 548973875 /nfs/dbraw/zinc/97/38/75/548973875.db2.gz YPYWHXGGTSULLE-MRXNPFEDSA-N 2 2 317.820 3.309 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000679998012 548977194 /nfs/dbraw/zinc/97/71/94/548977194.db2.gz PRBBPWWGKUJSPU-JKSUJKDBSA-N 2 2 301.459 3.189 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000680382172 549044180 /nfs/dbraw/zinc/04/41/80/549044180.db2.gz FLNZUSCRYGORAK-QWRGUYRKSA-N 2 2 320.437 3.288 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000681743212 549248806 /nfs/dbraw/zinc/24/88/06/549248806.db2.gz FSPSVBVEEUKALT-IEBWSBKVSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000681743212 549248808 /nfs/dbraw/zinc/24/88/08/549248808.db2.gz FSPSVBVEEUKALT-IEBWSBKVSA-N 2 2 304.478 3.182 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000681976453 549270957 /nfs/dbraw/zinc/27/09/57/549270957.db2.gz GZBPHJLGJGXSIV-ZWKOTPCHSA-N 2 2 302.462 3.023 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682072037 549283162 /nfs/dbraw/zinc/28/31/62/549283162.db2.gz QVFMKOUCNWEAIA-GDBMZVCRSA-N 2 2 313.449 3.250 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682072037 549283165 /nfs/dbraw/zinc/28/31/65/549283165.db2.gz QVFMKOUCNWEAIA-GDBMZVCRSA-N 2 2 313.449 3.250 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)c[nH+]1 ZINC000682154010 549297851 /nfs/dbraw/zinc/29/78/51/549297851.db2.gz JVUUTIOTNREJHZ-OAHLLOKOSA-N 2 2 313.430 3.172 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)c[nH+]1 ZINC000682154010 549297856 /nfs/dbraw/zinc/29/78/56/549297856.db2.gz JVUUTIOTNREJHZ-OAHLLOKOSA-N 2 2 313.430 3.172 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000682378690 549312604 /nfs/dbraw/zinc/31/26/04/549312604.db2.gz WCMOYMREWHGITO-UWVAXJGDSA-N 3 2 317.521 3.306 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000683161853 549442152 /nfs/dbraw/zinc/44/21/52/549442152.db2.gz GXUOTOBCXBPBGI-HIFRSBDPSA-N 2 2 304.463 3.375 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000683161853 549442157 /nfs/dbraw/zinc/44/21/57/549442157.db2.gz GXUOTOBCXBPBGI-HIFRSBDPSA-N 2 2 304.463 3.375 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000683228056 549454603 /nfs/dbraw/zinc/45/46/03/549454603.db2.gz QJZITOYNXDHEQZ-GOSISDBHSA-N 2 2 310.445 3.060 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000683228056 549454606 /nfs/dbraw/zinc/45/46/06/549454606.db2.gz QJZITOYNXDHEQZ-GOSISDBHSA-N 2 2 310.445 3.060 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000683519042 549496881 /nfs/dbraw/zinc/49/68/81/549496881.db2.gz MGOCZGRIXDLVNU-CQSZACIVSA-N 2 2 310.323 3.134 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000683519042 549496883 /nfs/dbraw/zinc/49/68/83/549496883.db2.gz MGOCZGRIXDLVNU-CQSZACIVSA-N 2 2 310.323 3.134 20 0 DGADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000683705328 549522653 /nfs/dbraw/zinc/52/26/53/549522653.db2.gz RHHIOAQCYQSVJG-AWEZNQCLSA-N 2 2 310.844 3.486 20 0 DGADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000683705328 549522658 /nfs/dbraw/zinc/52/26/58/549522658.db2.gz RHHIOAQCYQSVJG-AWEZNQCLSA-N 2 2 310.844 3.486 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000684367929 549620238 /nfs/dbraw/zinc/62/02/38/549620238.db2.gz ISCROAUSGWTMRM-OALUTQOASA-N 2 2 316.489 3.371 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000684367929 549620240 /nfs/dbraw/zinc/62/02/40/549620240.db2.gz ISCROAUSGWTMRM-OALUTQOASA-N 2 2 316.489 3.371 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000684369321 549620962 /nfs/dbraw/zinc/62/09/62/549620962.db2.gz UCFRJAQMKNZRSD-ARFHVFGLSA-N 2 2 308.491 3.432 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000684391379 549627228 /nfs/dbraw/zinc/62/72/28/549627228.db2.gz SVMKVBUCMGSDQD-GJZGRUSLSA-N 2 2 301.434 3.053 20 0 DGADLP Oc1cccc2c(NCc3[nH+]ccn3CC(F)(F)F)cc[nH+]c12 ZINC000684573354 549662998 /nfs/dbraw/zinc/66/29/98/549662998.db2.gz XTHMXNKHDGSSCK-UHFFFAOYSA-N 2 2 322.290 3.311 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684618687 549670022 /nfs/dbraw/zinc/67/00/22/549670022.db2.gz RHXQGOPCNUJMDH-HNNXBMFYSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684618687 549670026 /nfs/dbraw/zinc/67/00/26/549670026.db2.gz RHXQGOPCNUJMDH-HNNXBMFYSA-N 2 2 305.809 3.382 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H](c3cncc(F)c3)C3CC3)[nH+]c12 ZINC000684957401 549725600 /nfs/dbraw/zinc/72/56/00/549725600.db2.gz JSLLJYVATTUCMJ-GOSISDBHSA-N 2 2 324.403 3.460 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000684968348 549728147 /nfs/dbraw/zinc/72/81/47/549728147.db2.gz WIWFERUVCISIFJ-KRWDZBQOSA-N 2 2 323.440 3.078 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561716 549773988 /nfs/dbraw/zinc/77/39/88/549773988.db2.gz AYICWTYXUKRMMM-RDJZCZTQSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561716 549773985 /nfs/dbraw/zinc/77/39/85/549773985.db2.gz AYICWTYXUKRMMM-RDJZCZTQSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561716 549773987 /nfs/dbraw/zinc/77/39/87/549773987.db2.gz AYICWTYXUKRMMM-RDJZCZTQSA-N 2 2 308.466 3.206 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccc(C)o1 ZINC000685561716 549773989 /nfs/dbraw/zinc/77/39/89/549773989.db2.gz AYICWTYXUKRMMM-RDJZCZTQSA-N 2 2 308.466 3.206 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000685665901 549787374 /nfs/dbraw/zinc/78/73/74/549787374.db2.gz NBCHEDCWSZSDHX-MOPGFXCFSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000685665901 549787376 /nfs/dbraw/zinc/78/73/76/549787376.db2.gz NBCHEDCWSZSDHX-MOPGFXCFSA-N 2 2 316.489 3.180 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674882 574555183 /nfs/dbraw/zinc/55/51/83/574555183.db2.gz GUMMZLLEGJCWGA-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731674882 574555185 /nfs/dbraw/zinc/55/51/85/574555185.db2.gz GUMMZLLEGJCWGA-QGZVFWFLSA-N 2 2 302.462 3.364 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@H](C)[NH+]2CCCCCC2)c1C ZINC000741031485 574949444 /nfs/dbraw/zinc/94/94/44/574949444.db2.gz RMSIKNYOZRCJKC-HNNXBMFYSA-N 2 2 320.433 3.015 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855148 575065655 /nfs/dbraw/zinc/06/56/55/575065655.db2.gz DNOQJRNZTFQVKU-SFHVURJKSA-N 2 2 323.525 3.022 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855148 575065657 /nfs/dbraw/zinc/06/56/57/575065657.db2.gz DNOQJRNZTFQVKU-SFHVURJKSA-N 2 2 323.525 3.022 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855148 575065659 /nfs/dbraw/zinc/06/56/59/575065659.db2.gz DNOQJRNZTFQVKU-SFHVURJKSA-N 2 2 323.525 3.022 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC1CCCCCCC1 ZINC000743855148 575065660 /nfs/dbraw/zinc/06/56/60/575065660.db2.gz DNOQJRNZTFQVKU-SFHVURJKSA-N 2 2 323.525 3.022 20 0 DGADLP Cc1c(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000744449944 575343879 /nfs/dbraw/zinc/34/38/79/575343879.db2.gz IYHXXGTXJHLSMU-LLVKDONJSA-N 2 2 318.490 3.048 20 0 DGADLP Cc1c(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000744449944 575343880 /nfs/dbraw/zinc/34/38/80/575343880.db2.gz IYHXXGTXJHLSMU-LLVKDONJSA-N 2 2 318.490 3.048 20 0 DGADLP CCCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C)o1 ZINC000746657710 575467114 /nfs/dbraw/zinc/46/71/14/575467114.db2.gz HEFRTZQPIVVFQA-SJORKVTESA-N 2 2 308.466 3.208 20 0 DGADLP CCCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C)o1 ZINC000746657710 575467116 /nfs/dbraw/zinc/46/71/16/575467116.db2.gz HEFRTZQPIVVFQA-SJORKVTESA-N 2 2 308.466 3.208 20 0 DGADLP c1cn(CC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)c[nH+]1 ZINC000747349005 575513412 /nfs/dbraw/zinc/51/34/12/575513412.db2.gz ACNVXCNEXFAXEY-UHFFFAOYSA-N 2 2 323.425 3.049 20 0 DGADLP CCc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000748046192 575558342 /nfs/dbraw/zinc/55/83/42/575558342.db2.gz FWPPVGHFKZQUTL-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP CCc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000748046192 575558344 /nfs/dbraw/zinc/55/83/44/575558344.db2.gz FWPPVGHFKZQUTL-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc21 ZINC000750032518 575699108 /nfs/dbraw/zinc/69/91/08/575699108.db2.gz BSRRAEDLPVYOMK-HNNXBMFYSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc21 ZINC000750032518 575699109 /nfs/dbraw/zinc/69/91/09/575699109.db2.gz BSRRAEDLPVYOMK-HNNXBMFYSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@H]1C[NH+]=C(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)S1 ZINC000750829209 575754932 /nfs/dbraw/zinc/75/49/32/575754932.db2.gz GDEKKPIWCNAGHL-WMLDXEAASA-N 2 2 315.486 3.173 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Cl)o2)cn1 ZINC000916839974 620646788 /nfs/dbraw/zinc/64/67/88/620646788.db2.gz TYBDFDPJJDTBTK-UHFFFAOYSA-N 2 2 302.765 3.112 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2c(n1)CCCC2 ZINC000891724662 617883601 /nfs/dbraw/zinc/88/36/01/617883601.db2.gz IDSGRITVRMXGMZ-HNNXBMFYSA-N 2 2 310.445 3.372 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2c(n1)CCCC2 ZINC000891724662 617883604 /nfs/dbraw/zinc/88/36/04/617883604.db2.gz IDSGRITVRMXGMZ-HNNXBMFYSA-N 2 2 310.445 3.372 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891743850 617887609 /nfs/dbraw/zinc/88/76/09/617887609.db2.gz WEIPBBWEONWFTK-UHFFFAOYSA-N 2 2 306.498 3.387 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891743850 617887614 /nfs/dbraw/zinc/88/76/14/617887614.db2.gz WEIPBBWEONWFTK-UHFFFAOYSA-N 2 2 306.498 3.387 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892237465 617992829 /nfs/dbraw/zinc/99/28/29/617992829.db2.gz ZOAOPTYZAQYGAS-BLLLJJGKSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892237465 617992830 /nfs/dbraw/zinc/99/28/30/617992830.db2.gz ZOAOPTYZAQYGAS-BLLLJJGKSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000892237465 617992832 /nfs/dbraw/zinc/99/28/32/617992832.db2.gz ZOAOPTYZAQYGAS-BLLLJJGKSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000892237465 617992835 /nfs/dbraw/zinc/99/28/35/617992835.db2.gz ZOAOPTYZAQYGAS-BLLLJJGKSA-N 2 2 322.884 3.074 20 0 DGADLP C[C@H]1CC2(CC([NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)C2)CO1 ZINC000924531485 618074260 /nfs/dbraw/zinc/07/42/60/618074260.db2.gz HBVYSFAVZIPANP-OXHPOLQJSA-N 2 2 314.473 3.371 20 0 DGADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926686639 618088218 /nfs/dbraw/zinc/08/82/18/618088218.db2.gz WWMAUGUHQFMTSV-UHFFFAOYSA-N 2 2 320.477 3.304 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccn2c[nH+]cc12 ZINC000892820057 618318249 /nfs/dbraw/zinc/31/82/49/618318249.db2.gz PNOGPSIHRIEQKS-RDJZCZTQSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccn2c[nH+]cc12 ZINC000892820057 618318254 /nfs/dbraw/zinc/31/82/54/618318254.db2.gz PNOGPSIHRIEQKS-RDJZCZTQSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@H]1C[C@@H](Nc2nccn3c[nH+]cc23)CC[N@@H+]1Cc1ccccc1 ZINC000892848052 618327563 /nfs/dbraw/zinc/32/75/63/618327563.db2.gz QUUWNVKDKICFPW-RDJZCZTQSA-N 2 2 321.428 3.194 20 0 DGADLP C[C@H]1C[C@@H](Nc2nccn3c[nH+]cc23)CC[N@H+]1Cc1ccccc1 ZINC000892848052 618327567 /nfs/dbraw/zinc/32/75/67/618327567.db2.gz QUUWNVKDKICFPW-RDJZCZTQSA-N 2 2 321.428 3.194 20 0 DGADLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000894472606 618341689 /nfs/dbraw/zinc/34/16/89/618341689.db2.gz UIOAZHWZCAVBJJ-UHFFFAOYSA-N 2 2 303.406 3.177 20 0 DGADLP COC1CCC(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000894490714 618354350 /nfs/dbraw/zinc/35/43/50/618354350.db2.gz SGNDUHWQOVWNMO-UHFFFAOYSA-N 2 2 320.477 3.381 20 0 DGADLP COC1CCC(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000894490714 618354355 /nfs/dbraw/zinc/35/43/55/618354355.db2.gz SGNDUHWQOVWNMO-UHFFFAOYSA-N 2 2 320.477 3.381 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000925640787 618517571 /nfs/dbraw/zinc/51/75/71/618517571.db2.gz UUIGIRUGZIWHHC-IINYFYTJSA-N 2 2 322.250 3.161 20 0 DGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)o1 ZINC000925676216 618526845 /nfs/dbraw/zinc/52/68/45/618526845.db2.gz YTDFHDAMAUVGLR-CVEARBPZSA-N 2 2 305.466 3.193 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccccc1 ZINC000925676582 618526900 /nfs/dbraw/zinc/52/69/00/618526900.db2.gz KGRVCLLZKCWWPZ-MLGOLLRUSA-N 2 2 323.362 3.321 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925678107 618527542 /nfs/dbraw/zinc/52/75/42/618527542.db2.gz CCBOEVJLEZBQGK-CABCVRRESA-N 2 2 311.832 3.132 20 0 DGADLP CO[C@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895111218 618540119 /nfs/dbraw/zinc/54/01/19/618540119.db2.gz CBGLFKMTDXUNJQ-VQHPVUNQSA-N 2 2 303.450 3.116 20 0 DGADLP CC(C)n1nccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113213 618540456 /nfs/dbraw/zinc/54/04/56/618540456.db2.gz VGISKOBFNYYJQY-WKILWMFISA-N 2 2 313.449 3.136 20 0 DGADLP COc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895112630 618541120 /nfs/dbraw/zinc/54/11/20/618541120.db2.gz XBNQDCYERZDUSE-QAQDUYKDSA-N 2 2 311.429 3.367 20 0 DGADLP COc1ccccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113047 618541219 /nfs/dbraw/zinc/54/12/19/618541219.db2.gz ZYRPVRMOTSNOCA-QAQDUYKDSA-N 2 2 311.429 3.367 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291880 618588729 /nfs/dbraw/zinc/58/87/29/618588729.db2.gz ISKOAPHTGDUUEA-PKOBYXMFSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291880 618588731 /nfs/dbraw/zinc/58/87/31/618588731.db2.gz ISKOAPHTGDUUEA-PKOBYXMFSA-N 3 2 315.505 3.113 20 0 DGADLP CCOc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1OC(F)F ZINC000895299295 618590075 /nfs/dbraw/zinc/59/00/75/618590075.db2.gz IGPWMLRXYCVFLK-GFCCVEGCSA-N 2 2 316.392 3.117 20 0 DGADLP CC(C)n1ncc2cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(Cl)nc21 ZINC000895299981 618590679 /nfs/dbraw/zinc/59/06/79/618590679.db2.gz QFRJJARYEKNAPY-GFCCVEGCSA-N 2 2 323.872 3.095 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000925784075 618619511 /nfs/dbraw/zinc/61/95/11/618619511.db2.gz PIQLSATVNSXLIF-UHIISALHSA-N 2 2 300.418 3.302 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795280 618621445 /nfs/dbraw/zinc/62/14/45/618621445.db2.gz OHMGUCKVFRKWIX-QFBILLFUSA-N 2 2 316.489 3.448 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795276 618621518 /nfs/dbraw/zinc/62/15/18/618621518.db2.gz OHMGUCKVFRKWIX-LPHOPBHVSA-N 2 2 316.489 3.448 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925797055 618621872 /nfs/dbraw/zinc/62/18/72/618621872.db2.gz TUEMVKAUBIFLSE-SJLPKXTDSA-N 2 2 302.462 3.113 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094272 618708420 /nfs/dbraw/zinc/70/84/20/618708420.db2.gz KROHWKGUBHXTKD-XJKSGUPXSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094272 618708421 /nfs/dbraw/zinc/70/84/21/618708421.db2.gz KROHWKGUBHXTKD-XJKSGUPXSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000894094272 618708422 /nfs/dbraw/zinc/70/84/22/618708422.db2.gz KROHWKGUBHXTKD-XJKSGUPXSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000894094272 618708423 /nfs/dbraw/zinc/70/84/23/618708423.db2.gz KROHWKGUBHXTKD-XJKSGUPXSA-N 2 2 306.475 3.450 20 0 DGADLP C[C@@H]1CC2(CC([NH2+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)CO1 ZINC000924890380 618723889 /nfs/dbraw/zinc/72/38/89/618723889.db2.gz SERSSVAJEVMPPK-PBQKYUHESA-N 2 2 317.477 3.043 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc[nH]2)C1 ZINC000894184624 618725479 /nfs/dbraw/zinc/72/54/79/618725479.db2.gz AJLXBTGXXJLROH-IYBDPMFKSA-N 2 2 312.461 3.177 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnc[nH]2)C1 ZINC000894184624 618725480 /nfs/dbraw/zinc/72/54/80/618725480.db2.gz AJLXBTGXXJLROH-IYBDPMFKSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[N@H+](C)CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924903171 618733938 /nfs/dbraw/zinc/73/39/38/618733938.db2.gz HFVARKQFNOTOFL-HXUWFJFHSA-N 2 2 311.473 3.165 20 0 DGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924903171 618733940 /nfs/dbraw/zinc/73/39/40/618733940.db2.gz HFVARKQFNOTOFL-HXUWFJFHSA-N 2 2 311.473 3.165 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H](C2CC2)C2CCOCC2)[nH+]c1 ZINC000924927814 618740839 /nfs/dbraw/zinc/74/08/39/618740839.db2.gz RUZPXCMCFNYRDW-GOSISDBHSA-N 2 2 303.450 3.069 20 0 DGADLP Cc1ncoc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000894328390 618765270 /nfs/dbraw/zinc/76/52/70/618765270.db2.gz YLUFHUIBVWBNAW-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1ncoc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000894328390 618765271 /nfs/dbraw/zinc/76/52/71/618765271.db2.gz YLUFHUIBVWBNAW-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC000895672364 618816165 /nfs/dbraw/zinc/81/61/65/618816165.db2.gz SKVOLNRHYPOPKK-UHFFFAOYSA-N 2 2 324.415 3.391 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000895827935 618834538 /nfs/dbraw/zinc/83/45/38/618834538.db2.gz PWSWIVKSSNTTRJ-UHFFFAOYSA-N 2 2 318.509 3.168 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846190 618841147 /nfs/dbraw/zinc/84/11/47/618841147.db2.gz ZJBBIQSFAXMHMJ-MJGOQNOKSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846190 618841149 /nfs/dbraw/zinc/84/11/49/618841149.db2.gz ZJBBIQSFAXMHMJ-MJGOQNOKSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846190 618841152 /nfs/dbraw/zinc/84/11/52/618841152.db2.gz ZJBBIQSFAXMHMJ-MJGOQNOKSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@@H]21 ZINC000895846190 618841155 /nfs/dbraw/zinc/84/11/55/618841155.db2.gz ZJBBIQSFAXMHMJ-MJGOQNOKSA-N 2 2 323.440 3.400 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000896002366 618859511 /nfs/dbraw/zinc/85/95/11/618859511.db2.gz LWUGUTRGZYEYDT-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000896002366 618859512 /nfs/dbraw/zinc/85/95/12/618859512.db2.gz LWUGUTRGZYEYDT-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CS1 ZINC000896720966 618948141 /nfs/dbraw/zinc/94/81/41/618948141.db2.gz KIROQTPZSQQDKI-ZACQAIPSSA-N 2 2 307.507 3.194 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896719333 618948221 /nfs/dbraw/zinc/94/82/21/618948221.db2.gz CUUOJHOVHFUDSW-BEFAXECRSA-N 2 2 313.445 3.001 20 0 DGADLP C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc(-n2cc[nH+]c2)c1 ZINC000925184566 619069381 /nfs/dbraw/zinc/06/93/81/619069381.db2.gz SLXJCULLAQFMMH-HHXKTQCLSA-N 2 2 311.429 3.481 20 0 DGADLP CC1(C)CC[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)OC1 ZINC000897476114 619133123 /nfs/dbraw/zinc/13/31/23/619133123.db2.gz KFRAFSWCSHBYEP-KRWDZBQOSA-N 2 2 317.477 3.235 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925292462 619144611 /nfs/dbraw/zinc/14/46/11/619144611.db2.gz LXPFJYQFORVQGT-OAOYMFHYSA-N 2 2 320.452 3.244 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925292462 619144612 /nfs/dbraw/zinc/14/46/12/619144612.db2.gz LXPFJYQFORVQGT-OAOYMFHYSA-N 2 2 320.452 3.244 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925292761 619144814 /nfs/dbraw/zinc/14/48/14/619144814.db2.gz NQILRFUXDLVTRL-YSHGAJCASA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925292761 619144815 /nfs/dbraw/zinc/14/48/15/619144815.db2.gz NQILRFUXDLVTRL-YSHGAJCASA-N 2 2 302.462 3.105 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000897626882 619168520 /nfs/dbraw/zinc/16/85/20/619168520.db2.gz UHMUFTQQDDRKTR-HNNXBMFYSA-N 2 2 323.868 3.213 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000897626882 619168521 /nfs/dbraw/zinc/16/85/21/619168521.db2.gz UHMUFTQQDDRKTR-HNNXBMFYSA-N 2 2 323.868 3.213 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000897626884 619168670 /nfs/dbraw/zinc/16/86/70/619168670.db2.gz UHMUFTQQDDRKTR-OAHLLOKOSA-N 2 2 323.868 3.213 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000897626884 619168672 /nfs/dbraw/zinc/16/86/72/619168672.db2.gz UHMUFTQQDDRKTR-OAHLLOKOSA-N 2 2 323.868 3.213 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000897793539 619183210 /nfs/dbraw/zinc/18/32/10/619183210.db2.gz AJAYZZOQYQOEFP-OAHLLOKOSA-N 2 2 305.491 3.314 20 0 DGADLP Cn1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c(C2CCCC2)n1 ZINC000898306572 619235526 /nfs/dbraw/zinc/23/55/26/619235526.db2.gz MKOKAQJOQXCIEW-UHFFFAOYSA-N 2 2 306.498 3.097 20 0 DGADLP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c(C2CCCC2)n1 ZINC000898306572 619235528 /nfs/dbraw/zinc/23/55/28/619235528.db2.gz MKOKAQJOQXCIEW-UHFFFAOYSA-N 2 2 306.498 3.097 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000926960829 619252904 /nfs/dbraw/zinc/25/29/04/619252904.db2.gz HJILKUUKDXLJDQ-IUODEOHRSA-N 2 2 318.383 3.323 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1)C[NH+](C)C ZINC000926966293 619254081 /nfs/dbraw/zinc/25/40/81/619254081.db2.gz WGJOZYCBJCRNTN-MAUKXSAKSA-N 2 2 308.466 3.091 20 0 DGADLP COc1ccnc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000924727721 619268225 /nfs/dbraw/zinc/26/82/25/619268225.db2.gz CIKNVYQKBJDGIE-XJKSGUPXSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cn2c([nH+]1)CCCC2 ZINC000924739447 619292515 /nfs/dbraw/zinc/29/25/15/619292515.db2.gz PDUHMCIILNDXDW-GJYPPUQNSA-N 2 2 318.509 3.381 20 0 DGADLP CCn1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000902267375 619613096 /nfs/dbraw/zinc/61/30/96/619613096.db2.gz VQHMQSGRVVNNMR-YOEHRIQHSA-N 2 2 318.490 3.137 20 0 DGADLP CCn1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000902267375 619613097 /nfs/dbraw/zinc/61/30/97/619613097.db2.gz VQHMQSGRVVNNMR-YOEHRIQHSA-N 2 2 318.490 3.137 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000902347176 619619963 /nfs/dbraw/zinc/61/99/63/619619963.db2.gz LRONDLRBZGHJAL-VIFPVBQESA-N 2 2 304.331 3.111 20 0 DGADLP [NH3+]CCCC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(F)cc1F ZINC000902385972 619629615 /nfs/dbraw/zinc/62/96/15/619629615.db2.gz AWIISADPMOLVMU-CVEARBPZSA-N 2 2 320.387 3.066 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c2ccccc21 ZINC000902452131 619639991 /nfs/dbraw/zinc/63/99/91/619639991.db2.gz JDEDCGPVJBRCHO-DLBZAZTESA-N 2 2 322.408 3.181 20 0 DGADLP COc1cccc(-c2cc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])on2)c1 ZINC000902455693 619640349 /nfs/dbraw/zinc/64/03/49/619640349.db2.gz YENFXZDZEKVAFH-DLBZAZTESA-N 2 2 315.417 3.100 20 0 DGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483055 619645484 /nfs/dbraw/zinc/64/54/84/619645484.db2.gz OZABAGFCOACORK-DOTOQJQBSA-N 2 2 317.477 3.088 20 0 DGADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902483582 619645571 /nfs/dbraw/zinc/64/55/71/619645571.db2.gz RVXWNUGXOWXBQZ-WDSOQIARSA-N 2 2 302.462 3.276 20 0 DGADLP COc1cccc(-c2csc(C[NH2+]C[C@H](C)C[NH+](C)C)n2)c1 ZINC000902572690 619655887 /nfs/dbraw/zinc/65/58/87/619655887.db2.gz WJVQPWXUMMXIBO-ZDUSSCGKSA-N 2 2 319.474 3.106 20 0 DGADLP c1cn(CC[NH2+][C@H](CCc2ccccc2)c2cccnc2)c[nH+]1 ZINC000902725273 619666122 /nfs/dbraw/zinc/66/61/22/619666122.db2.gz TYVCCLUFQHBXLC-LJQANCHMSA-N 2 2 306.413 3.242 20 0 DGADLP Cc1cc(C)n(CCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000902724646 619666239 /nfs/dbraw/zinc/66/62/39/619666239.db2.gz FEBVJQCDYXRVLL-QGZVFWFLSA-N 2 2 323.444 3.427 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902840103 619682888 /nfs/dbraw/zinc/68/28/88/619682888.db2.gz YECLYWPMFIAKRE-XJKSGUPXSA-N 2 2 319.499 3.372 20 0 DGADLP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902976996 619698875 /nfs/dbraw/zinc/69/88/75/619698875.db2.gz UQSHWAHPQOIGCY-MRXNPFEDSA-N 3 2 324.472 3.397 20 0 DGADLP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903017775 619702188 /nfs/dbraw/zinc/70/21/88/619702188.db2.gz YEAQBNLSFWGVCU-INIZCTEOSA-N 3 2 312.461 3.397 20 0 DGADLP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903017775 619702192 /nfs/dbraw/zinc/70/21/92/619702192.db2.gz YEAQBNLSFWGVCU-INIZCTEOSA-N 3 2 312.461 3.397 20 0 DGADLP C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903008388 619704201 /nfs/dbraw/zinc/70/42/01/619704201.db2.gz NVIKWLSAXYASAP-OAHLLOKOSA-N 2 2 317.408 3.289 20 0 DGADLP CC(C)Oc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903075097 619711325 /nfs/dbraw/zinc/71/13/25/619711325.db2.gz YPEXJKDLNLPSQI-ZNXRZULTSA-N 2 2 315.461 3.116 20 0 DGADLP CC(C)Oc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075097 619711327 /nfs/dbraw/zinc/71/13/27/619711327.db2.gz YPEXJKDLNLPSQI-ZNXRZULTSA-N 2 2 315.461 3.116 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000903074261 619715952 /nfs/dbraw/zinc/71/59/52/619715952.db2.gz UPVUAQIAKGOJMF-MNEFBYGVSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000903074261 619715953 /nfs/dbraw/zinc/71/59/53/619715953.db2.gz UPVUAQIAKGOJMF-MNEFBYGVSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903074261 619715955 /nfs/dbraw/zinc/71/59/55/619715955.db2.gz UPVUAQIAKGOJMF-MNEFBYGVSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903074261 619715956 /nfs/dbraw/zinc/71/59/56/619715956.db2.gz UPVUAQIAKGOJMF-MNEFBYGVSA-N 2 2 324.472 3.145 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903093645 619719123 /nfs/dbraw/zinc/71/91/23/619719123.db2.gz KMZWARFSFFUWKR-VTYCOLDWSA-N 2 2 323.440 3.028 20 0 DGADLP c1ccc(N2CCC([NH2+]CC3C[C@H]4CC[C@@H](C3)S4)CC2)[nH+]c1 ZINC000903159109 619727385 /nfs/dbraw/zinc/72/73/85/619727385.db2.gz GZZYVQJEYVLHSY-ZXFUBFMLSA-N 2 2 317.502 3.314 20 0 DGADLP C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903367275 619766366 /nfs/dbraw/zinc/76/63/66/619766366.db2.gz GSWDFUNRIDQCNW-VDZJLULYSA-N 2 2 323.440 3.482 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000903889060 619826215 /nfs/dbraw/zinc/82/62/15/619826215.db2.gz NOARQQNVVUJJBR-HNNXBMFYSA-N 2 2 300.368 3.063 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1OC(F)F ZINC000903923314 619835090 /nfs/dbraw/zinc/83/50/90/619835090.db2.gz QGZRLFNWSXLBBC-MWLCHTKSSA-N 2 2 308.319 3.311 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000903931591 619836678 /nfs/dbraw/zinc/83/66/78/619836678.db2.gz FTMSSOVZRFGZNF-INIZCTEOSA-N 2 2 308.416 3.240 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903937163 619837679 /nfs/dbraw/zinc/83/76/79/619837679.db2.gz CUJCTWPPSHWOPJ-KGLIPLIRSA-N 2 2 312.404 3.247 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903937163 619837681 /nfs/dbraw/zinc/83/76/81/619837681.db2.gz CUJCTWPPSHWOPJ-KGLIPLIRSA-N 2 2 312.404 3.247 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000903955216 619846628 /nfs/dbraw/zinc/84/66/28/619846628.db2.gz NBFHOOUNXAEEPG-JTQLQIEISA-N 2 2 309.187 3.328 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974365 619847472 /nfs/dbraw/zinc/84/74/72/619847472.db2.gz UIXJDSBWIDHMQP-MRXNPFEDSA-N 2 2 322.880 3.205 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000904461210 619923848 /nfs/dbraw/zinc/92/38/48/619923848.db2.gz GZGNKZYKWZIKIN-RTBURBONSA-N 2 2 318.424 3.099 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000906197468 620074943 /nfs/dbraw/zinc/07/49/43/620074943.db2.gz HKFJLZXETUHKCJ-AWEZNQCLSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000906197468 620074946 /nfs/dbraw/zinc/07/49/46/620074946.db2.gz HKFJLZXETUHKCJ-AWEZNQCLSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c(C)[nH+]1 ZINC000907182469 620143091 /nfs/dbraw/zinc/14/30/91/620143091.db2.gz FNCLXMSMAUVRGN-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3nccc4c3CCCC4)cc2)c[nH+]1 ZINC000921603044 620913117 /nfs/dbraw/zinc/91/31/17/620913117.db2.gz CRHGZNXGHOVYKO-UHFFFAOYSA-N 2 2 318.424 3.436 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925491789 621089219 /nfs/dbraw/zinc/08/92/19/621089219.db2.gz KFHDPMOEYCIKSA-RHSMWYFYSA-N 2 2 320.502 3.360 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000857851084 621122586 /nfs/dbraw/zinc/12/25/86/621122586.db2.gz GRVPABKUCSJNOR-IEBWSBKVSA-N 2 2 324.472 3.289 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000857851084 621122588 /nfs/dbraw/zinc/12/25/88/621122588.db2.gz GRVPABKUCSJNOR-IEBWSBKVSA-N 2 2 324.472 3.289 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCc2cn[nH]c21)[N@H+](C)Cc1ccccc1 ZINC000857856837 621123509 /nfs/dbraw/zinc/12/35/09/621123509.db2.gz PHKYMZWUCYZYST-CRAIPNDOSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCc2cn[nH]c21)[N@@H+](C)Cc1ccccc1 ZINC000857856837 621123511 /nfs/dbraw/zinc/12/35/11/621123511.db2.gz PHKYMZWUCYZYST-CRAIPNDOSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCc2c[nH]nc21)[N@H+](C)Cc1ccccc1 ZINC000857856837 621123512 /nfs/dbraw/zinc/12/35/12/621123512.db2.gz PHKYMZWUCYZYST-CRAIPNDOSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCc2c[nH]nc21)[N@@H+](C)Cc1ccccc1 ZINC000857856837 621123515 /nfs/dbraw/zinc/12/35/15/621123515.db2.gz PHKYMZWUCYZYST-CRAIPNDOSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CCCc2cn[nH]c21)[N@H+](C)Cc1ccccc1 ZINC000857856839 621123603 /nfs/dbraw/zinc/12/36/03/621123603.db2.gz PHKYMZWUCYZYST-MAUKXSAKSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CCCc2cn[nH]c21)[N@@H+](C)Cc1ccccc1 ZINC000857856839 621123604 /nfs/dbraw/zinc/12/36/04/621123604.db2.gz PHKYMZWUCYZYST-MAUKXSAKSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CCCc2c[nH]nc21)[N@H+](C)Cc1ccccc1 ZINC000857856839 621123605 /nfs/dbraw/zinc/12/36/05/621123605.db2.gz PHKYMZWUCYZYST-MAUKXSAKSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@@H](CC[NH2+][C@@H]1CCCc2c[nH]nc21)[N@@H+](C)Cc1ccccc1 ZINC000857856839 621123606 /nfs/dbraw/zinc/12/36/06/621123606.db2.gz PHKYMZWUCYZYST-MAUKXSAKSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCCc3cn[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000857864763 621124940 /nfs/dbraw/zinc/12/49/40/621124940.db2.gz HWMYXIFVJRCPBU-AZUAARDMSA-N 2 2 324.472 3.289 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCCc3cn[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000857864763 621124944 /nfs/dbraw/zinc/12/49/44/621124944.db2.gz HWMYXIFVJRCPBU-AZUAARDMSA-N 2 2 324.472 3.289 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859080936 621246536 /nfs/dbraw/zinc/24/65/36/621246536.db2.gz SOZHSLSMIBWERV-UHFFFAOYSA-N 2 2 312.889 3.017 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859080936 621246537 /nfs/dbraw/zinc/24/65/37/621246537.db2.gz SOZHSLSMIBWERV-UHFFFAOYSA-N 2 2 312.889 3.017 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000753857495 621469289 /nfs/dbraw/zinc/46/92/89/621469289.db2.gz FHJOZHWVCXBUIR-DNVCBOLYSA-N 2 2 302.462 3.090 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000753857495 621469292 /nfs/dbraw/zinc/46/92/92/621469292.db2.gz FHJOZHWVCXBUIR-DNVCBOLYSA-N 2 2 302.462 3.090 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[N@@H+](C)C3CCC3)c2)[nH+]c1C ZINC000863860736 621714743 /nfs/dbraw/zinc/71/47/43/621714743.db2.gz GWADPSFZFPBHRC-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[N@H+](C)C3CCC3)c2)[nH+]c1C ZINC000863860736 621714745 /nfs/dbraw/zinc/71/47/45/621714745.db2.gz GWADPSFZFPBHRC-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@H](C)C1 ZINC000865478859 621930851 /nfs/dbraw/zinc/93/08/51/621930851.db2.gz QLKLVKCEYLWBSD-IAQYHMDHSA-N 2 2 316.367 3.247 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)[C@H](C)C1 ZINC000865478859 621930854 /nfs/dbraw/zinc/93/08/54/621930854.db2.gz QLKLVKCEYLWBSD-IAQYHMDHSA-N 2 2 316.367 3.247 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)c2)c[nH+]1 ZINC000865762037 621990628 /nfs/dbraw/zinc/99/06/28/621990628.db2.gz KIQZPRSYXVLVTR-RHSMWYFYSA-N 2 2 317.458 3.229 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CCCn1cc[nH+]c1 ZINC000866213277 622067151 /nfs/dbraw/zinc/06/71/51/622067151.db2.gz SFIXSMZTLMHGHZ-MRXNPFEDSA-N 2 2 308.429 3.432 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000866277180 622083377 /nfs/dbraw/zinc/08/33/77/622083377.db2.gz JYIMYHQWYAJHAH-SJORKVTESA-N 2 2 311.473 3.487 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000866277180 622083378 /nfs/dbraw/zinc/08/33/78/622083378.db2.gz JYIMYHQWYAJHAH-SJORKVTESA-N 2 2 311.473 3.487 20 0 DGADLP c1ccc(N2CCC([NH2+]C3([C@H]4CCCCO4)CCC3)CC2)[nH+]c1 ZINC000866621430 622148831 /nfs/dbraw/zinc/14/88/31/622148831.db2.gz GINVFQCGPBBRTC-QGZVFWFLSA-N 2 2 315.461 3.132 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccnc1Cl ZINC000764884008 622229857 /nfs/dbraw/zinc/22/98/57/622229857.db2.gz HVEJEJIJAXWYFM-LBPRGKRZSA-N 2 2 304.825 3.161 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000765040572 622241558 /nfs/dbraw/zinc/24/15/58/622241558.db2.gz XRWXRWGEJVECCV-VQTJNVASSA-N 3 2 319.537 3.248 20 0 DGADLP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000765040572 622241561 /nfs/dbraw/zinc/24/15/61/622241561.db2.gz XRWXRWGEJVECCV-VQTJNVASSA-N 3 2 319.537 3.248 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000765249297 622254046 /nfs/dbraw/zinc/25/40/46/622254046.db2.gz GIZOVSLBFCMQTC-AEFFLSMTSA-N 2 2 312.461 3.166 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000765817026 622289497 /nfs/dbraw/zinc/28/94/97/622289497.db2.gz ZXBQDYABUIUXQI-OWCLPIDISA-N 2 2 307.482 3.480 20 0 DGADLP Cc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)o1 ZINC000767393322 622395924 /nfs/dbraw/zinc/39/59/24/622395924.db2.gz VDJHFWVZGNHDQH-KRWDZBQOSA-N 2 2 314.433 3.044 20 0 DGADLP C[C@@H](CC(=O)OC[C@H]1CC[N@@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731935 622504084 /nfs/dbraw/zinc/50/40/84/622504084.db2.gz CVSUUNWSLUTASE-DOTOQJQBSA-N 2 2 319.449 3.175 20 0 DGADLP C[C@@H](CC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1)n1cc[nH+]c1 ZINC000870731935 622504086 /nfs/dbraw/zinc/50/40/86/622504086.db2.gz CVSUUNWSLUTASE-DOTOQJQBSA-N 2 2 319.449 3.175 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1F ZINC000769491462 622533587 /nfs/dbraw/zinc/53/35/87/622533587.db2.gz OLEDAPPDCQZYDO-CVEARBPZSA-N 2 2 322.468 3.477 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC(C(F)F)C3)CC2)cc1 ZINC000769518846 622537505 /nfs/dbraw/zinc/53/75/05/622537505.db2.gz FAKCOBRJKBNJHN-UHFFFAOYSA-N 2 2 323.431 3.355 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NC3CC(C(F)F)C3)[nH+]c2)CC1 ZINC000769535067 622538587 /nfs/dbraw/zinc/53/85/87/622538587.db2.gz LTLGEKGEHHRANW-UHFFFAOYSA-N 2 2 324.419 3.068 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCOC1 ZINC000872026533 622759987 /nfs/dbraw/zinc/75/99/87/622759987.db2.gz FTVGBBQEYARHGV-DOTOQJQBSA-N 2 2 317.408 3.306 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC000872031866 622762651 /nfs/dbraw/zinc/76/26/51/622762651.db2.gz NIBFLYPSROMKBQ-HZPDHXFCSA-N 2 2 305.466 3.457 20 0 DGADLP CC(C)OC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000872116836 622816564 /nfs/dbraw/zinc/81/65/64/622816564.db2.gz OMXMBCLKMHIVHF-UHFFFAOYSA-N 2 2 322.415 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@@H+]1C ZINC000872117632 622817340 /nfs/dbraw/zinc/81/73/40/622817340.db2.gz UQUADOZMVOGXGO-KOLCDFICSA-N 2 2 321.774 3.326 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@H+]1C ZINC000872117632 622817344 /nfs/dbraw/zinc/81/73/44/622817344.db2.gz UQUADOZMVOGXGO-KOLCDFICSA-N 2 2 321.774 3.326 20 0 DGADLP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2C1 ZINC000872143333 622831638 /nfs/dbraw/zinc/83/16/38/622831638.db2.gz OUMMYEIQOGWUSC-PBHICJAKSA-N 2 2 317.477 3.154 20 0 DGADLP CC1(C)CCc2onc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2C1 ZINC000872143333 622831644 /nfs/dbraw/zinc/83/16/44/622831644.db2.gz OUMMYEIQOGWUSC-PBHICJAKSA-N 2 2 317.477 3.154 20 0 DGADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCCCCC[NH3+] ZINC000872155515 622836312 /nfs/dbraw/zinc/83/63/12/622836312.db2.gz OEKKNZXRPYGOMY-HNNXBMFYSA-N 2 2 312.841 3.005 20 0 DGADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155515 622836321 /nfs/dbraw/zinc/83/63/21/622836321.db2.gz OEKKNZXRPYGOMY-HNNXBMFYSA-N 2 2 312.841 3.005 20 0 DGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158739 622840349 /nfs/dbraw/zinc/84/03/49/622840349.db2.gz XLJJBULMVUTIMP-ZBFHGGJFSA-N 2 2 320.481 3.313 20 0 DGADLP CC(C)c1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158739 622840353 /nfs/dbraw/zinc/84/03/53/622840353.db2.gz XLJJBULMVUTIMP-ZBFHGGJFSA-N 2 2 320.481 3.313 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000872250809 622867494 /nfs/dbraw/zinc/86/74/94/622867494.db2.gz CBAZCZCOPGVURW-GFCCVEGCSA-N 2 2 305.447 3.271 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(F)n3)CC2)C1 ZINC000773096965 622982713 /nfs/dbraw/zinc/98/27/13/622982713.db2.gz RKJBUVFLSJXPCK-RHSMWYFYSA-N 2 2 305.441 3.353 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000873258600 623094706 /nfs/dbraw/zinc/09/47/06/623094706.db2.gz SPHDWDBIINRTMG-ONIAQPFYSA-N 3 2 310.445 3.054 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2cc(F)ccc12 ZINC000873275951 623101618 /nfs/dbraw/zinc/10/16/18/623101618.db2.gz PAMMKMQTNRGKKQ-JSGCOSHPSA-N 2 2 305.397 3.367 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774942235 623210379 /nfs/dbraw/zinc/21/03/79/623210379.db2.gz OJXUWUKHTZCOGH-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774942235 623210382 /nfs/dbraw/zinc/21/03/82/623210382.db2.gz OJXUWUKHTZCOGH-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1C ZINC000774978189 623212767 /nfs/dbraw/zinc/21/27/67/623212767.db2.gz NPTHXRFKZZSYJL-KRWDZBQOSA-N 2 2 301.434 3.405 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000775201164 623241296 /nfs/dbraw/zinc/24/12/96/623241296.db2.gz CFXAUJRJKYCARU-UHFFFAOYSA-N 2 2 324.424 3.464 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[NH+]1CCCCC1 ZINC000775365565 623260483 /nfs/dbraw/zinc/26/04/83/623260483.db2.gz OVAHZZQKLYWWIE-KFWWJZLASA-N 2 2 314.564 3.220 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775379685 623262107 /nfs/dbraw/zinc/26/21/07/623262107.db2.gz TVHZHUZGTYNGAQ-JKJDWNRSSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775379685 623262114 /nfs/dbraw/zinc/26/21/14/623262114.db2.gz TVHZHUZGTYNGAQ-JKJDWNRSSA-N 2 2 314.564 3.076 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876770985 623702457 /nfs/dbraw/zinc/70/24/57/623702457.db2.gz LNOFVWSOVYIJCJ-HNNXBMFYSA-N 2 2 307.457 3.055 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876770985 623702461 /nfs/dbraw/zinc/70/24/61/623702461.db2.gz LNOFVWSOVYIJCJ-HNNXBMFYSA-N 2 2 307.457 3.055 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774964 623703865 /nfs/dbraw/zinc/70/38/65/623703865.db2.gz KVBBSBLQOQJVFW-OAHLLOKOSA-N 2 2 307.457 3.055 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774964 623703871 /nfs/dbraw/zinc/70/38/71/623703871.db2.gz KVBBSBLQOQJVFW-OAHLLOKOSA-N 2 2 307.457 3.055 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774964 623703877 /nfs/dbraw/zinc/70/38/77/623703877.db2.gz KVBBSBLQOQJVFW-OAHLLOKOSA-N 2 2 307.457 3.055 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC000876774964 623703882 /nfs/dbraw/zinc/70/38/82/623703882.db2.gz KVBBSBLQOQJVFW-OAHLLOKOSA-N 2 2 307.457 3.055 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810952 623712722 /nfs/dbraw/zinc/71/27/22/623712722.db2.gz AOUGZWMATTUTJH-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810952 623712727 /nfs/dbraw/zinc/71/27/27/623712727.db2.gz AOUGZWMATTUTJH-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810952 623712734 /nfs/dbraw/zinc/71/27/34/623712734.db2.gz AOUGZWMATTUTJH-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4c(F)cccc4c3)CC[C@@H]21 ZINC000876810952 623712741 /nfs/dbraw/zinc/71/27/41/623712741.db2.gz AOUGZWMATTUTJH-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000876934131 623748216 /nfs/dbraw/zinc/74/82/16/623748216.db2.gz BRBWASMVSAVKOX-CEXWTWQISA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000876934131 623748220 /nfs/dbraw/zinc/74/82/20/623748220.db2.gz BRBWASMVSAVKOX-CEXWTWQISA-N 2 2 302.462 3.369 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000876988814 623760466 /nfs/dbraw/zinc/76/04/66/623760466.db2.gz MYNGMLBQXYNKFR-QYWGDWMGSA-N 2 2 318.442 3.419 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000877075504 623785297 /nfs/dbraw/zinc/78/52/97/623785297.db2.gz DVSFGAXVZVMMJJ-SJLPKXTDSA-N 2 2 322.518 3.009 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000877486457 623906606 /nfs/dbraw/zinc/90/66/06/623906606.db2.gz NMVMAWKRFJRSEU-GXZWQRSESA-N 2 2 318.442 3.419 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000877486457 623906608 /nfs/dbraw/zinc/90/66/08/623906608.db2.gz NMVMAWKRFJRSEU-GXZWQRSESA-N 2 2 318.442 3.419 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877528853 623926560 /nfs/dbraw/zinc/92/65/60/623926560.db2.gz MKWCVAHOZQAYJO-NSHDSACASA-N 2 2 316.792 3.204 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877528853 623926565 /nfs/dbraw/zinc/92/65/65/623926565.db2.gz MKWCVAHOZQAYJO-NSHDSACASA-N 2 2 316.792 3.204 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530658 623926950 /nfs/dbraw/zinc/92/69/50/623926950.db2.gz FBXHWBDHIFDUBW-DYVFJYSZSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530658 623926954 /nfs/dbraw/zinc/92/69/54/623926954.db2.gz FBXHWBDHIFDUBW-DYVFJYSZSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530658 623926956 /nfs/dbraw/zinc/92/69/56/623926956.db2.gz FBXHWBDHIFDUBW-DYVFJYSZSA-N 2 2 301.409 3.146 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877530658 623926958 /nfs/dbraw/zinc/92/69/58/623926958.db2.gz FBXHWBDHIFDUBW-DYVFJYSZSA-N 2 2 301.409 3.146 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531611 623927630 /nfs/dbraw/zinc/92/76/30/623927630.db2.gz PSYLYZSCJOFFLJ-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531611 623927634 /nfs/dbraw/zinc/92/76/34/623927634.db2.gz PSYLYZSCJOFFLJ-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531611 623927638 /nfs/dbraw/zinc/92/76/38/623927638.db2.gz PSYLYZSCJOFFLJ-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2nc(C(C)(C)C)cs2)C1 ZINC000877531611 623927643 /nfs/dbraw/zinc/92/76/43/623927643.db2.gz PSYLYZSCJOFFLJ-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741345 624013853 /nfs/dbraw/zinc/01/38/53/624013853.db2.gz APNQTVSARLIKLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741345 624013858 /nfs/dbraw/zinc/01/38/58/624013858.db2.gz APNQTVSARLIKLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741345 624013863 /nfs/dbraw/zinc/01/38/63/624013863.db2.gz APNQTVSARLIKLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@@H]21 ZINC000877741345 624013869 /nfs/dbraw/zinc/01/38/69/624013869.db2.gz APNQTVSARLIKLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740926 624014349 /nfs/dbraw/zinc/01/43/49/624014349.db2.gz LDUVABHEAQHXMS-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740926 624014350 /nfs/dbraw/zinc/01/43/50/624014350.db2.gz LDUVABHEAQHXMS-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740926 624014351 /nfs/dbraw/zinc/01/43/51/624014351.db2.gz LDUVABHEAQHXMS-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@H]21 ZINC000877740926 624014352 /nfs/dbraw/zinc/01/43/52/624014352.db2.gz LDUVABHEAQHXMS-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000877812768 624044298 /nfs/dbraw/zinc/04/42/98/624044298.db2.gz SIXABVXAJBIMRK-AWEZNQCLSA-N 2 2 310.323 3.042 20 0 DGADLP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000877812768 624044304 /nfs/dbraw/zinc/04/43/04/624044304.db2.gz SIXABVXAJBIMRK-AWEZNQCLSA-N 2 2 310.323 3.042 20 0 DGADLP CC[N@@H+](Cc1nocc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150377 624190463 /nfs/dbraw/zinc/19/04/63/624190463.db2.gz KEGLBOXEPICHMA-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC[N@H+](Cc1nocc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150377 624190465 /nfs/dbraw/zinc/19/04/65/624190465.db2.gz KEGLBOXEPICHMA-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345347 624250720 /nfs/dbraw/zinc/25/07/20/624250720.db2.gz QOWSNCQPZDUZFF-MAUKXSAKSA-N 2 2 311.429 3.482 20 0 DGADLP CCCCOC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783029870 624302234 /nfs/dbraw/zinc/30/22/34/624302234.db2.gz HPYZJDVARFPCPQ-MRXNPFEDSA-N 2 2 321.465 3.107 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000783244791 624330080 /nfs/dbraw/zinc/33/00/80/624330080.db2.gz WCSZHADGLFNTEJ-PKOBYXMFSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000783244791 624330081 /nfs/dbraw/zinc/33/00/81/624330081.db2.gz WCSZHADGLFNTEJ-PKOBYXMFSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783314235 624338228 /nfs/dbraw/zinc/33/82/28/624338228.db2.gz XMSMUPGBDLUZOB-UHFFFAOYSA-N 2 2 319.493 3.126 20 0 DGADLP CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000879698187 624643983 /nfs/dbraw/zinc/64/39/83/624643983.db2.gz SMHTUOSXJPEZCZ-UHFFFAOYSA-N 2 2 301.434 3.292 20 0 DGADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136037 624801454 /nfs/dbraw/zinc/80/14/54/624801454.db2.gz DNFOBDCVAKYTOL-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136037 624801458 /nfs/dbraw/zinc/80/14/58/624801458.db2.gz DNFOBDCVAKYTOL-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)OCc1ccccc1 ZINC000880136037 624801466 /nfs/dbraw/zinc/80/14/66/624801466.db2.gz DNFOBDCVAKYTOL-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C)OCc1ccccc1 ZINC000880136037 624801470 /nfs/dbraw/zinc/80/14/70/624801470.db2.gz DNFOBDCVAKYTOL-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@H]3CCC[N@H+]4C)cc2)n1 ZINC000880137278 624801762 /nfs/dbraw/zinc/80/17/62/624801762.db2.gz AXNRBVWIAYEXLG-WOJBJXKFSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@H]3CCC[N@@H+]4C)cc2)n1 ZINC000880137278 624801766 /nfs/dbraw/zinc/80/17/66/624801766.db2.gz AXNRBVWIAYEXLG-WOJBJXKFSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4[C@H]3CCC[NH+]4C)cc2)n1 ZINC000880137278 624801772 /nfs/dbraw/zinc/80/17/72/624801772.db2.gz AXNRBVWIAYEXLG-WOJBJXKFSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H]3CCC[NH+]4C)cc2)n1 ZINC000880137278 624801778 /nfs/dbraw/zinc/80/17/78/624801778.db2.gz AXNRBVWIAYEXLG-WOJBJXKFSA-N 2 2 324.472 3.158 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142731 624806571 /nfs/dbraw/zinc/80/65/71/624806571.db2.gz TXINDTFTTKXHEB-ZWKOTPCHSA-N 2 2 317.864 3.463 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142731 624806573 /nfs/dbraw/zinc/80/65/73/624806573.db2.gz TXINDTFTTKXHEB-ZWKOTPCHSA-N 2 2 317.864 3.463 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142731 624806574 /nfs/dbraw/zinc/80/65/74/624806574.db2.gz TXINDTFTTKXHEB-ZWKOTPCHSA-N 2 2 317.864 3.463 20 0 DGADLP CCOC(C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1)OCC ZINC000880254606 624871182 /nfs/dbraw/zinc/87/11/82/624871182.db2.gz IQMYJNBXJJBTDU-UHFFFAOYSA-N 2 2 312.498 3.116 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CC2(CC(=O)OC)CC2)CC1 ZINC000880255828 624873351 /nfs/dbraw/zinc/87/33/51/624873351.db2.gz ZMDUXGHKRMNDSX-UHFFFAOYSA-N 2 2 322.493 3.060 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000880255734 624873419 /nfs/dbraw/zinc/87/34/19/624873419.db2.gz WYHKZFRROSERLN-AWEZNQCLSA-N 2 2 322.415 3.030 20 0 DGADLP c1csc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000880319356 624916077 /nfs/dbraw/zinc/91/60/77/624916077.db2.gz WJBQITHTCKKLHZ-OAHLLOKOSA-N 2 2 310.426 3.318 20 0 DGADLP c1csc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000880319356 624916080 /nfs/dbraw/zinc/91/60/80/624916080.db2.gz WJBQITHTCKKLHZ-OAHLLOKOSA-N 2 2 310.426 3.318 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387010 624947948 /nfs/dbraw/zinc/94/79/48/624947948.db2.gz DVLAVQSASMFUSW-KRWDZBQOSA-N 2 2 301.459 3.143 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387010 624947950 /nfs/dbraw/zinc/94/79/50/624947950.db2.gz DVLAVQSASMFUSW-KRWDZBQOSA-N 2 2 301.459 3.143 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445565 624957468 /nfs/dbraw/zinc/95/74/68/624957468.db2.gz IUUXAWCZGQMOHE-UHFFFAOYSA-N 2 2 305.372 3.308 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CO)c1ccccc1 ZINC000880462171 624961204 /nfs/dbraw/zinc/96/12/04/624961204.db2.gz PWYVNNJFTHONHY-HXUWFJFHSA-N 2 2 321.424 3.428 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CO)c1ccccc1 ZINC000880462171 624961206 /nfs/dbraw/zinc/96/12/06/624961206.db2.gz PWYVNNJFTHONHY-HXUWFJFHSA-N 2 2 321.424 3.428 20 0 DGADLP ClC1(Cl)C[C@@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568283 624979414 /nfs/dbraw/zinc/97/94/14/624979414.db2.gz WAIDFPGKFICDBR-ZIAGYGMSSA-N 2 2 310.228 3.408 20 0 DGADLP c1cnn(CCCCC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880571945 624980148 /nfs/dbraw/zinc/98/01/48/624980148.db2.gz WOYWBBKWMFEKQU-IBGZPJMESA-N 2 2 323.444 3.281 20 0 DGADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC(C)C ZINC000880569796 624980199 /nfs/dbraw/zinc/98/01/99/624980199.db2.gz PBLRHWDNHKRCGO-ROUUACIJSA-N 2 2 301.434 3.275 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)c1OC ZINC000796780155 626082074 /nfs/dbraw/zinc/08/20/74/626082074.db2.gz HZLGHGLYGXRJNQ-GJZGRUSLSA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)c1OC ZINC000796780155 626082076 /nfs/dbraw/zinc/08/20/76/626082076.db2.gz HZLGHGLYGXRJNQ-GJZGRUSLSA-N 2 2 320.477 3.017 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883254999 626625600 /nfs/dbraw/zinc/62/56/00/626625600.db2.gz IMQMVQUNEKZUPI-GDBMZVCRSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883254999 626625601 /nfs/dbraw/zinc/62/56/01/626625601.db2.gz IMQMVQUNEKZUPI-GDBMZVCRSA-N 2 2 323.431 3.317 20 0 DGADLP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+]C1CCSCC1 ZINC000883345587 626655127 /nfs/dbraw/zinc/65/51/27/626655127.db2.gz GLLXKBQMXXDSMI-GOSISDBHSA-N 2 2 317.502 3.279 20 0 DGADLP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+]C1CCSCC1 ZINC000883345587 626655128 /nfs/dbraw/zinc/65/51/28/626655128.db2.gz GLLXKBQMXXDSMI-GOSISDBHSA-N 2 2 317.502 3.279 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883387186 626668525 /nfs/dbraw/zinc/66/85/25/626668525.db2.gz SRKUJYWOIXLIKY-DNVCBOLYSA-N 2 2 321.428 3.382 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387181 626668774 /nfs/dbraw/zinc/66/87/74/626668774.db2.gz SOOOELJFIBAQLZ-QZTJIDSGSA-N 2 2 301.434 3.275 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386990 626668857 /nfs/dbraw/zinc/66/88/57/626668857.db2.gz PWLXBWWASALLFG-KBXCAEBGSA-N 2 2 309.417 3.017 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386991 626668884 /nfs/dbraw/zinc/66/88/84/626668884.db2.gz PWLXBWWASALLFG-KDOFPFPSSA-N 2 2 309.417 3.017 20 0 DGADLP c1cn(C[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)c2ccccc2)c[nH+]1 ZINC000883388470 626669417 /nfs/dbraw/zinc/66/94/17/626669417.db2.gz VXQZTESMMCCVDU-ROUUACIJSA-N 2 2 311.429 3.316 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000883388019 626669558 /nfs/dbraw/zinc/66/95/58/626669558.db2.gz KJFFGIWPDKBCNJ-PVAVHDDUSA-N 2 2 301.459 3.498 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000883387755 626669592 /nfs/dbraw/zinc/66/95/92/626669592.db2.gz DTYFMEDBVYQMOF-QAPCUYQASA-N 2 2 322.412 3.379 20 0 DGADLP c1cn(C[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)c2ccccc2)c[nH+]1 ZINC000883388079 626669746 /nfs/dbraw/zinc/66/97/46/626669746.db2.gz LUPMUNXEYRKQEQ-AEFFLSMTSA-N 2 2 307.401 3.015 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccc2)c[nH+]1 ZINC000883397769 626672611 /nfs/dbraw/zinc/67/26/11/626672611.db2.gz VAJHQTZRGIMSIN-SFHVURJKSA-N 2 2 319.412 3.082 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000809994919 626966411 /nfs/dbraw/zinc/96/64/11/626966411.db2.gz IJPGBISRHCIEHS-LBPRGKRZSA-N 2 2 315.244 3.427 20 0 DGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000885891633 627056801 /nfs/dbraw/zinc/05/68/01/627056801.db2.gz KZHMBTQKAOXUJB-UHFFFAOYSA-N 2 2 323.444 3.174 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000886091986 627101395 /nfs/dbraw/zinc/10/13/95/627101395.db2.gz LMJLTYGWQUMGGH-WMZOPIPTSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000886091986 627101398 /nfs/dbraw/zinc/10/13/98/627101398.db2.gz LMJLTYGWQUMGGH-WMZOPIPTSA-N 2 2 306.494 3.475 20 0 DGADLP Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000886436480 627148926 /nfs/dbraw/zinc/14/89/26/627148926.db2.gz ZWVWCSOGLDAYCL-HXUWFJFHSA-N 2 2 321.424 3.346 20 0 DGADLP Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000886436480 627148928 /nfs/dbraw/zinc/14/89/28/627148928.db2.gz ZWVWCSOGLDAYCL-HXUWFJFHSA-N 2 2 321.424 3.346 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCc3cccnc32)c[nH+]1 ZINC000886498634 627153177 /nfs/dbraw/zinc/15/31/77/627153177.db2.gz JMXYUNLOSGVGJK-GOSISDBHSA-N 2 2 304.397 3.104 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886553416 627161810 /nfs/dbraw/zinc/16/18/10/627161810.db2.gz MTUSVJSHCIBMSZ-BEFAXECRSA-N 2 2 322.456 3.279 20 0 DGADLP COCc1cc[nH+]c(NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886633140 627177277 /nfs/dbraw/zinc/17/72/77/627177277.db2.gz NPPJCNUQTMGIKL-UHFFFAOYSA-N 2 2 303.450 3.437 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nc(C4CCC4)no3)CC2)[nH+]c1C ZINC000886659748 627182194 /nfs/dbraw/zinc/18/21/94/627182194.db2.gz UQECRNPYUIOUPO-UHFFFAOYSA-N 2 2 315.421 3.057 20 0 DGADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662659 627183308 /nfs/dbraw/zinc/18/33/08/627183308.db2.gz JEGUHOCVWVJGGI-INIZCTEOSA-N 2 2 321.465 3.184 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cn4c(cccc4C)n3)CC2)[nH+]c1C ZINC000886666742 627184316 /nfs/dbraw/zinc/18/43/16/627184316.db2.gz ZGGAMOCPSFHEOG-UHFFFAOYSA-N 2 2 323.444 3.362 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000886715871 627196740 /nfs/dbraw/zinc/19/67/40/627196740.db2.gz HIVAGQASZBRVGI-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP c1nc(NC2CCC([NH+]3CCCCC3)CC2)cc(NC2CC2)[nH+]1 ZINC000840271732 627435313 /nfs/dbraw/zinc/43/53/13/627435313.db2.gz FQCNLHJHBKCTAW-UHFFFAOYSA-N 2 2 315.465 3.260 20 0 DGADLP c1nc(NC2CC2)cc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000840271732 627435318 /nfs/dbraw/zinc/43/53/18/627435318.db2.gz FQCNLHJHBKCTAW-UHFFFAOYSA-N 2 2 315.465 3.260 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1C ZINC000813857606 627516112 /nfs/dbraw/zinc/51/61/12/627516112.db2.gz KEJHVWVHIBZHMD-CLCXKQKWSA-N 2 2 301.478 3.356 20 0 DGADLP CSCc1cnc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000815117179 627629006 /nfs/dbraw/zinc/62/90/06/627629006.db2.gz MXZMWLINKVMVLH-CYBMUJFWSA-N 2 2 324.519 3.407 20 0 DGADLP C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000924549323 627647976 /nfs/dbraw/zinc/64/79/76/627647976.db2.gz HZYPDHKGKYHIBP-VKUSLMQGSA-N 2 2 311.429 3.481 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924574372 627650281 /nfs/dbraw/zinc/65/02/81/627650281.db2.gz CZZYBYNGHUYLKT-AEFFLSMTSA-N 2 2 312.461 3.033 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924574372 627650286 /nfs/dbraw/zinc/65/02/86/627650286.db2.gz CZZYBYNGHUYLKT-AEFFLSMTSA-N 2 2 312.461 3.033 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2nonc2C)cc1 ZINC000924587086 627653176 /nfs/dbraw/zinc/65/31/76/627653176.db2.gz ZLFQXPXVYNCSNH-ZDUSSCGKSA-N 2 2 302.422 3.071 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)c1 ZINC000924605593 627656401 /nfs/dbraw/zinc/65/64/01/627656401.db2.gz WRWVMINLSYJZAN-WOJBJXKFSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)c1 ZINC000924605593 627656405 /nfs/dbraw/zinc/65/64/05/627656405.db2.gz WRWVMINLSYJZAN-WOJBJXKFSA-N 2 2 324.472 3.038 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924684610 627667233 /nfs/dbraw/zinc/66/72/33/627667233.db2.gz LLJCKJCKYPAVJH-ZACQAIPSSA-N 2 2 318.509 3.238 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(C)c1)c1ccccn1 ZINC000924874989 627689753 /nfs/dbraw/zinc/68/97/53/627689753.db2.gz XUPABOICZJDBGM-LJQANCHMSA-N 2 2 306.413 3.274 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198011 627717558 /nfs/dbraw/zinc/71/75/58/627717558.db2.gz QMEBDSUFDYMJOK-GHTZIAJQSA-N 2 2 323.484 3.167 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198011 627717559 /nfs/dbraw/zinc/71/75/59/627717559.db2.gz QMEBDSUFDYMJOK-GHTZIAJQSA-N 2 2 323.484 3.167 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000925230587 627721257 /nfs/dbraw/zinc/72/12/57/627721257.db2.gz YLXRTDMQIKMFRB-GHBBCFCZSA-N 3 2 319.537 3.390 20 0 DGADLP C1CC[NH+](C2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000925230587 627721259 /nfs/dbraw/zinc/72/12/59/627721259.db2.gz YLXRTDMQIKMFRB-GHBBCFCZSA-N 3 2 319.537 3.390 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OC)n1 ZINC000925308921 627728649 /nfs/dbraw/zinc/72/86/49/627728649.db2.gz UFMJBIINCKTXMU-HNNXBMFYSA-N 2 2 305.466 3.394 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000925303636 627728877 /nfs/dbraw/zinc/72/88/77/627728877.db2.gz PDQHJSXEKNYTJV-HNNXBMFYSA-N 2 2 304.482 3.207 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000925493259 627741932 /nfs/dbraw/zinc/74/19/32/627741932.db2.gz JSJQSMWPUUTQTM-OXJNMPFZSA-N 2 2 309.457 3.334 20 0 DGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000925515558 627745831 /nfs/dbraw/zinc/74/58/31/627745831.db2.gz UKIGCVKLBCCELU-RVKKMQEKSA-N 2 2 304.478 3.293 20 0 DGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000925515558 627745833 /nfs/dbraw/zinc/74/58/33/627745833.db2.gz UKIGCVKLBCCELU-RVKKMQEKSA-N 2 2 304.478 3.293 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551586 627752445 /nfs/dbraw/zinc/75/24/45/627752445.db2.gz BWKKHELANWMHJK-AOIWGVFYSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551586 627752448 /nfs/dbraw/zinc/75/24/48/627752448.db2.gz BWKKHELANWMHJK-AOIWGVFYSA-N 3 2 303.494 3.177 20 0 DGADLP c1sc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1C1CC1 ZINC000925582457 627758632 /nfs/dbraw/zinc/75/86/32/627758632.db2.gz FJGZEIMPMDBXHB-HUUCEWRRSA-N 2 2 305.491 3.278 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587919 627759269 /nfs/dbraw/zinc/75/92/69/627759269.db2.gz LIOOJSRNPGGGNK-IAGOWNOFSA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587919 627759272 /nfs/dbraw/zinc/75/92/72/627759272.db2.gz LIOOJSRNPGGGNK-IAGOWNOFSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccccc1 ZINC000925639700 627767850 /nfs/dbraw/zinc/76/78/50/627767850.db2.gz MRVAIJLBHXVSAW-DOPJRALCSA-N 2 2 318.848 3.226 20 0 DGADLP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1cccc2ccccc21 ZINC000925713363 627780373 /nfs/dbraw/zinc/78/03/73/627780373.db2.gz VFVPPVNHISKQTL-RTBURBONSA-N 2 2 310.441 3.138 20 0 DGADLP FC(F)n1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000925719692 627781048 /nfs/dbraw/zinc/78/10/48/627781048.db2.gz UPEVPUZXNIVIDW-HNNXBMFYSA-N 2 2 305.372 3.411 20 0 DGADLP Cc1ccc2c(c1)[C@H]([N@@H+]1CCc3sc(C[NH3+])nc3C1)[C@@H](C)C2 ZINC000925746455 627785779 /nfs/dbraw/zinc/78/57/79/627785779.db2.gz BYYJJECXDRBTKM-KPZWWZAWSA-N 2 2 313.470 3.202 20 0 DGADLP Cc1ccc2c(c1)[C@H]([N@H+]1CCc3sc(C[NH3+])nc3C1)[C@@H](C)C2 ZINC000925746455 627785784 /nfs/dbraw/zinc/78/57/84/627785784.db2.gz BYYJJECXDRBTKM-KPZWWZAWSA-N 2 2 313.470 3.202 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([N@@H+]1CCc3sc(C[NH3+])nc3C1)[C@H](C)C2 ZINC000925746484 627786049 /nfs/dbraw/zinc/78/60/49/627786049.db2.gz BYYJJECXDRBTKM-XIKOKIGWSA-N 2 2 313.470 3.202 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([N@H+]1CCc3sc(C[NH3+])nc3C1)[C@H](C)C2 ZINC000925746484 627786052 /nfs/dbraw/zinc/78/60/52/627786052.db2.gz BYYJJECXDRBTKM-XIKOKIGWSA-N 2 2 313.470 3.202 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(Cl)n1 ZINC000925763352 627790357 /nfs/dbraw/zinc/79/03/57/627790357.db2.gz BUQSNHSTTXRXTG-HZPDHXFCSA-N 2 2 307.869 3.301 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794658 627796165 /nfs/dbraw/zinc/79/61/65/627796165.db2.gz HSOLGZKIDXRGRK-MAUKXSAKSA-N 2 2 314.473 3.157 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C2CC2)c1 ZINC000925794379 627796507 /nfs/dbraw/zinc/79/65/07/627796507.db2.gz DZZGWOLDVIZXOV-DNVCBOLYSA-N 2 2 314.473 3.373 20 0 DGADLP CCC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925799449 627797116 /nfs/dbraw/zinc/79/71/16/627797116.db2.gz YVQHZOAOLZQHIY-MSOLQXFVSA-N 2 2 302.462 3.276 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nccc2c1CCCC2 ZINC000925805942 627798208 /nfs/dbraw/zinc/79/82/08/627798208.db2.gz MSOPZMVDIUEIBP-DNVCBOLYSA-N 2 2 309.457 3.009 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925815506 627800040 /nfs/dbraw/zinc/80/00/40/627800040.db2.gz XNXLHRPYJJAKJB-UYAOXDASSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1csc2ccccc21 ZINC000925829958 627801380 /nfs/dbraw/zinc/80/13/80/627801380.db2.gz HIUIUEPGZNMVSX-CYBMUJFWSA-N 2 2 304.459 3.009 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224492 627865053 /nfs/dbraw/zinc/86/50/53/627865053.db2.gz QKPKWEFFFKJQKB-VQIMIIECSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224492 627865056 /nfs/dbraw/zinc/86/50/56/627865056.db2.gz QKPKWEFFFKJQKB-VQIMIIECSA-N 2 2 310.445 3.182 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000926450488 627897969 /nfs/dbraw/zinc/89/79/69/627897969.db2.gz NLDYLLAGNPAZJD-JXFKEZNVSA-N 2 2 318.424 3.350 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926494562 627903852 /nfs/dbraw/zinc/90/38/52/627903852.db2.gz JBTSQCPRRQOVIC-UAGQMJEPSA-N 2 2 302.487 3.482 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926494562 627903853 /nfs/dbraw/zinc/90/38/53/627903853.db2.gz JBTSQCPRRQOVIC-UAGQMJEPSA-N 2 2 302.487 3.482 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714818 627938784 /nfs/dbraw/zinc/93/87/84/627938784.db2.gz HTIGIOUFAOOIJH-SFTDATJTSA-N 2 2 323.484 3.309 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000926714818 627938787 /nfs/dbraw/zinc/93/87/87/627938787.db2.gz HTIGIOUFAOOIJH-SFTDATJTSA-N 2 2 323.484 3.309 20 0 DGADLP Cc1cc(CNC(=O)NCCCCCCC[NH+](C)C)cc(C)[nH+]1 ZINC000817774922 627948043 /nfs/dbraw/zinc/94/80/43/627948043.db2.gz QUCOMOSFOZRITG-UHFFFAOYSA-N 2 2 320.481 3.010 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000926881386 627969352 /nfs/dbraw/zinc/96/93/52/627969352.db2.gz APXBGSXLEGAWFA-PMACEKPBSA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2ccc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000926881386 627969356 /nfs/dbraw/zinc/96/93/56/627969356.db2.gz APXBGSXLEGAWFA-PMACEKPBSA-N 2 2 309.457 3.384 20 0 DGADLP c1cc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n(-c2ccccc2)n1 ZINC000926881351 627969697 /nfs/dbraw/zinc/96/96/97/627969697.db2.gz YOTDTIGQGSSXBB-UXHICEINSA-N 2 2 324.472 3.021 20 0 DGADLP c1cc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n(-c2ccccc2)n1 ZINC000926881351 627969700 /nfs/dbraw/zinc/96/97/00/627969700.db2.gz YOTDTIGQGSSXBB-UXHICEINSA-N 2 2 324.472 3.021 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000817955218 627974092 /nfs/dbraw/zinc/97/40/92/627974092.db2.gz SUEMPKFJKBOJFJ-HNAYVOBHSA-N 2 2 323.440 3.164 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000817959457 627974809 /nfs/dbraw/zinc/97/48/09/627974809.db2.gz RNCHAOFBXNHKDL-BEFAXECRSA-N 2 2 312.461 3.431 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccnc1 ZINC000926902428 627975312 /nfs/dbraw/zinc/97/53/12/627975312.db2.gz XPFOGTOCPYIKKE-HFCFLWKCSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H](CC1CC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958824 627989834 /nfs/dbraw/zinc/98/98/34/627989834.db2.gz PYXSWWNUYZMVQL-QGZVFWFLSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CC1CC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926958824 627989839 /nfs/dbraw/zinc/98/98/39/627989839.db2.gz PYXSWWNUYZMVQL-QGZVFWFLSA-N 2 2 316.489 3.446 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1cc2cccc(OC)c2o1)C[NH+](C)C ZINC000926960707 627989961 /nfs/dbraw/zinc/98/99/61/627989961.db2.gz GUUMFPXJHYIFSD-UKRRQHHQSA-N 2 2 320.433 3.059 20 0 DGADLP Cc1ccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927104734 628015561 /nfs/dbraw/zinc/01/55/61/628015561.db2.gz FNWOEWUCLQDHMM-QLOJAFMTSA-N 2 2 314.473 3.084 20 0 DGADLP Cc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927104734 628015565 /nfs/dbraw/zinc/01/55/65/628015565.db2.gz FNWOEWUCLQDHMM-QLOJAFMTSA-N 2 2 314.473 3.084 20 0 DGADLP CC(C)C[C@H](C[NH2+]C[C@H](O)C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000819387506 628145464 /nfs/dbraw/zinc/14/54/64/628145464.db2.gz MRIGXEVTXNEHKU-IPELMVKDSA-N 2 2 304.478 3.112 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823399668 628556995 /nfs/dbraw/zinc/55/69/95/628556995.db2.gz NOQADTYUFHINGY-UHFFFAOYSA-N 2 2 313.848 3.428 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477191 628663905 /nfs/dbraw/zinc/66/39/05/628663905.db2.gz IUNPXSOBKLNXFI-UONOGXRCSA-N 2 2 319.836 3.430 20 0 DGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000832761915 629512149 /nfs/dbraw/zinc/51/21/49/629512149.db2.gz WQDAUYLYHYWULS-IBGZPJMESA-N 2 2 312.457 3.337 20 0 DGADLP Cc1ccc2c(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc(=O)oc2c1 ZINC000842476295 630539308 /nfs/dbraw/zinc/53/93/08/630539308.db2.gz LEYRVGQPKYRJJT-QGZVFWFLSA-N 2 2 314.429 3.099 20 0 DGADLP Cc1ccc2c(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc(=O)oc2c1 ZINC000842476294 630539461 /nfs/dbraw/zinc/53/94/61/630539461.db2.gz LEYRVGQPKYRJJT-KRWDZBQOSA-N 2 2 314.429 3.099 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000105447976 630712365 /nfs/dbraw/zinc/71/23/65/630712365.db2.gz WZIURGMAYKLTQX-HNNXBMFYSA-N 2 2 307.397 3.299 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCCCCO)C[N@@H+]1Cc1ccccc1 ZINC000845948289 631203235 /nfs/dbraw/zinc/20/32/35/631203235.db2.gz CBEVTMLKXAHTFH-GOSISDBHSA-N 2 2 304.478 3.182 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCCCCCO)C[N@H+]1Cc1ccccc1 ZINC000845948289 631203236 /nfs/dbraw/zinc/20/32/36/631203236.db2.gz CBEVTMLKXAHTFH-GOSISDBHSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000846804451 631310229 /nfs/dbraw/zinc/31/02/29/631310229.db2.gz KSPDKNKGVHGQEN-GJYPPUQNSA-N 2 2 313.445 3.203 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000846804451 631310235 /nfs/dbraw/zinc/31/02/35/631310235.db2.gz KSPDKNKGVHGQEN-GJYPPUQNSA-N 2 2 313.445 3.203 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccn1 ZINC000848520733 631675959 /nfs/dbraw/zinc/67/59/59/631675959.db2.gz KEXSPYVRZJBIHD-DZGCQCFKSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848527002 631677751 /nfs/dbraw/zinc/67/77/51/631677751.db2.gz OROYMISCUAHVOB-RHSMWYFYSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848527004 631678060 /nfs/dbraw/zinc/67/80/60/631678060.db2.gz OROYMISCUAHVOB-YOEHRIQHSA-N 2 2 322.880 3.114 20 0 DGADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848930852 631792193 /nfs/dbraw/zinc/79/21/93/631792193.db2.gz XRSPMJVEIMPPST-IBGZPJMESA-N 2 2 316.489 3.497 20 0 DGADLP CC(C)c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848930852 631792198 /nfs/dbraw/zinc/79/21/98/631792198.db2.gz XRSPMJVEIMPPST-IBGZPJMESA-N 2 2 316.489 3.497 20 0 DGADLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849016890 631808194 /nfs/dbraw/zinc/80/81/94/631808194.db2.gz PHNUPGNBSOBBME-XJKSGUPXSA-N 2 2 322.884 3.389 20 0 DGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])NC1CCCCC1)c1ccco1 ZINC000849026975 631811263 /nfs/dbraw/zinc/81/12/63/631811263.db2.gz PQERTAZWKDBTHJ-DZGCQCFKSA-N 2 2 306.454 3.155 20 0 DGADLP [NH2+]=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CCCCC1 ZINC000849032983 631813294 /nfs/dbraw/zinc/81/32/94/631813294.db2.gz UWKVCEKQROQSFH-UHFFFAOYSA-N 2 2 317.824 3.036 20 0 DGADLP CCCNC(=[NH2+])NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000849078187 631828460 /nfs/dbraw/zinc/82/84/60/631828460.db2.gz XIFPMFSGBGOBKN-KRWDZBQOSA-N 2 2 304.482 3.012 20 0 DGADLP CCCNC(=[NH2+])NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000849078188 631828941 /nfs/dbraw/zinc/82/89/41/631828941.db2.gz XIFPMFSGBGOBKN-QGZVFWFLSA-N 2 2 304.482 3.012 20 0 DGADLP CC[NH+](CC)CCOc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000850046051 632038227 /nfs/dbraw/zinc/03/82/27/632038227.db2.gz VRKZUHQSGUGTIP-UHFFFAOYSA-N 2 2 316.449 3.359 20 0 DGADLP Cc1[nH]c(CNc2cccc3c2OCC[C@H]3[NH+](C)C)[nH+]c1C ZINC000850280815 632101869 /nfs/dbraw/zinc/10/18/69/632101869.db2.gz JMOAMZXIMKVCRB-OAHLLOKOSA-N 2 2 300.406 3.024 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(C)CC3(F)F)CC2)cc1 ZINC000850379663 632132986 /nfs/dbraw/zinc/13/29/86/632132986.db2.gz VGNMNNLMVAPSGD-KRWDZBQOSA-N 2 2 323.431 3.356 20 0 DGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000850455524 632158209 /nfs/dbraw/zinc/15/82/09/632158209.db2.gz KHEDGZVFOPXSDN-OAHLLOKOSA-N 2 2 305.491 3.136 20 0 DGADLP c1ccc(C[NH2+]C2CC[NH+](Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000852116346 632558271 /nfs/dbraw/zinc/55/82/71/632558271.db2.gz NZJJFZHVQXTEEG-UHFFFAOYSA-N 2 2 322.452 3.471 20 0 DGADLP Cc1cc(C)c(C(=O)N2C[C@@H]([NH2+]CC(C)C)C(C)(C)C2)c(C)[nH+]1 ZINC000996067462 660275114 /nfs/dbraw/zinc/27/51/14/660275114.db2.gz YPUZMFOCUJFKSM-MRXNPFEDSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2CC[NH+](CC(C)C)CC2)c(C)[nH+]1 ZINC001001663243 660455604 /nfs/dbraw/zinc/45/56/04/660455604.db2.gz ICEWDGKFBMZADN-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccnc3F)CC2)C1 ZINC000793286669 661021183 /nfs/dbraw/zinc/02/11/83/661021183.db2.gz ZKSIKMSIYVLBMH-RHSMWYFYSA-N 2 2 305.441 3.353 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000261624638 655656782 /nfs/dbraw/zinc/65/67/82/655656782.db2.gz DRSDGLJLHPHSQO-CABCVRRESA-N 2 2 320.358 3.278 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000261624638 655656784 /nfs/dbraw/zinc/65/67/84/655656784.db2.gz DRSDGLJLHPHSQO-CABCVRRESA-N 2 2 320.358 3.278 20 0 DGADLP CC[NH+](CC)CCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160890212 655691927 /nfs/dbraw/zinc/69/19/27/655691927.db2.gz DZQBUNBAUSRMEF-UHFFFAOYSA-N 2 2 318.469 3.115 20 0 DGADLP COCCC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000177952660 655950930 /nfs/dbraw/zinc/95/09/30/655950930.db2.gz GEJSFLSWJLNHOA-INIZCTEOSA-N 2 2 319.493 3.126 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000931470995 656291170 /nfs/dbraw/zinc/29/11/70/656291170.db2.gz JFDWVTYIFDAWOU-KGLIPLIRSA-N 2 2 322.415 3.293 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000931470994 656291175 /nfs/dbraw/zinc/29/11/75/656291175.db2.gz JFDWVTYIFDAWOU-KBPBESRZSA-N 2 2 322.415 3.293 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261619868 656931964 /nfs/dbraw/zinc/93/19/64/656931964.db2.gz GFTFSTCPRDCACI-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261619868 656931969 /nfs/dbraw/zinc/93/19/69/656931969.db2.gz GFTFSTCPRDCACI-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP CC[NH2+][C@H](C)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001050265939 657280766 /nfs/dbraw/zinc/28/07/66/657280766.db2.gz WYNIGVDTNHABPY-CYBMUJFWSA-N 2 2 322.412 3.163 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000262292098 657497612 /nfs/dbraw/zinc/49/76/12/657497612.db2.gz NKSXTUDWTVGIGM-RCCFBDPRSA-N 3 2 307.526 3.151 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)C[C@H]1C[NH3+] ZINC000253187826 657660749 /nfs/dbraw/zinc/66/07/49/657660749.db2.gz JKHXKCRPAPWIQF-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)C[C@H]1C[NH3+] ZINC000253187826 657660751 /nfs/dbraw/zinc/66/07/51/657660751.db2.gz JKHXKCRPAPWIQF-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1)c1ccc(F)cc1 ZINC000303259509 657672368 /nfs/dbraw/zinc/67/23/68/657672368.db2.gz MFPPDRGNSQKECS-INIZCTEOSA-N 2 2 300.381 3.065 20 0 DGADLP COc1c(C)c[nH+]c(CN2C[C@@H](CC[NH3+])c3ccccc32)c1C ZINC000321340143 658126545 /nfs/dbraw/zinc/12/65/45/658126545.db2.gz IPHQSYQKWKDJGX-OAHLLOKOSA-N 2 2 311.429 3.160 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227190081 659146908 /nfs/dbraw/zinc/14/69/08/659146908.db2.gz CONXEYIJVPQLTC-WCQYABFASA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227190081 659146912 /nfs/dbraw/zinc/14/69/12/659146912.db2.gz CONXEYIJVPQLTC-WCQYABFASA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227190088 659147078 /nfs/dbraw/zinc/14/70/78/659147078.db2.gz CONXEYIJVPQLTC-AAEUAGOBSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227190088 659147083 /nfs/dbraw/zinc/14/70/83/659147083.db2.gz CONXEYIJVPQLTC-AAEUAGOBSA-N 2 2 305.447 3.271 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231462153 659385173 /nfs/dbraw/zinc/38/51/73/659385173.db2.gz BWKQVQFLAHXJOA-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000231462153 659385176 /nfs/dbraw/zinc/38/51/76/659385176.db2.gz BWKQVQFLAHXJOA-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231462128 659385218 /nfs/dbraw/zinc/38/52/18/659385218.db2.gz BWKQVQFLAHXJOA-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231462128 659385222 /nfs/dbraw/zinc/38/52/22/659385222.db2.gz BWKQVQFLAHXJOA-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000069627075 660010295 /nfs/dbraw/zinc/01/02/95/660010295.db2.gz HQZRTIHLXHRQBR-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000069627075 660010298 /nfs/dbraw/zinc/01/02/98/660010298.db2.gz HQZRTIHLXHRQBR-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)nn1 ZINC000929510659 661314371 /nfs/dbraw/zinc/31/43/71/661314371.db2.gz PSYNBPRZJZQDIT-GOSISDBHSA-N 2 2 316.493 3.181 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C)nn1 ZINC000929510659 661314372 /nfs/dbraw/zinc/31/43/72/661314372.db2.gz PSYNBPRZJZQDIT-GOSISDBHSA-N 2 2 316.493 3.181 20 0 DGADLP Fc1cncc(F)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930080808 661364335 /nfs/dbraw/zinc/36/43/35/661364335.db2.gz YCSSZSRFNHZEIC-UHFFFAOYSA-N 2 2 323.431 3.448 20 0 DGADLP c1ccc(NC2CC[NH+](CCSc3ccncc3)CC2)[nH+]c1 ZINC000930128135 661368979 /nfs/dbraw/zinc/36/89/79/661368979.db2.gz DCQMGJWLFLXZQP-UHFFFAOYSA-N 2 2 314.458 3.145 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)co1 ZINC000930806723 661431376 /nfs/dbraw/zinc/43/13/76/661431376.db2.gz WFRVHSWTWUKVJV-UHFFFAOYSA-N 2 2 314.433 3.079 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)co1 ZINC000930806723 661431378 /nfs/dbraw/zinc/43/13/78/661431378.db2.gz WFRVHSWTWUKVJV-UHFFFAOYSA-N 2 2 314.433 3.079 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287981 661464598 /nfs/dbraw/zinc/46/45/98/661464598.db2.gz FZYXHGZFUOFQBB-IBGZPJMESA-N 2 2 320.452 3.464 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287981 661464601 /nfs/dbraw/zinc/46/46/01/661464601.db2.gz FZYXHGZFUOFQBB-IBGZPJMESA-N 2 2 320.452 3.464 20 0 DGADLP CO[C@@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)c1ccc(Cl)cc1 ZINC000931518749 661484522 /nfs/dbraw/zinc/48/45/22/661484522.db2.gz RSDIQJQMPVDXHT-KRWDZBQOSA-N 2 2 317.820 3.063 20 0 DGADLP CO[C@@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)c1ccc(Cl)cc1 ZINC000931518749 661484523 /nfs/dbraw/zinc/48/45/23/661484523.db2.gz RSDIQJQMPVDXHT-KRWDZBQOSA-N 2 2 317.820 3.063 20 0 DGADLP CCC[N@H+](C[C@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185424 661685254 /nfs/dbraw/zinc/68/52/54/661685254.db2.gz MGFHQZBFFSDCTK-FQEVSTJZSA-N 2 2 316.489 3.134 20 0 DGADLP CCC[N@@H+](C[C@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185424 661685256 /nfs/dbraw/zinc/68/52/56/661685256.db2.gz MGFHQZBFFSDCTK-FQEVSTJZSA-N 2 2 316.489 3.134 20 0 DGADLP c1csc(C[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000934335108 661698582 /nfs/dbraw/zinc/69/85/82/661698582.db2.gz HAMATCKOSSFCGX-MRXNPFEDSA-N 2 2 324.453 3.393 20 0 DGADLP c1csc(C[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000934335108 661698584 /nfs/dbraw/zinc/69/85/84/661698584.db2.gz HAMATCKOSSFCGX-MRXNPFEDSA-N 2 2 324.453 3.393 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934385670 661703564 /nfs/dbraw/zinc/70/35/64/661703564.db2.gz JJHGWHLUBFMUBG-GOSISDBHSA-N 2 2 311.429 3.372 20 0 DGADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000187497164 661716619 /nfs/dbraw/zinc/71/66/19/661716619.db2.gz VPDGUQATVXDENB-OAHLLOKOSA-N 2 2 319.518 3.382 20 0 DGADLP [NH2+]=C(NCCn1cc[nH+]c1)Nc1cccc(Oc2ccccc2)c1 ZINC000083030023 662192861 /nfs/dbraw/zinc/19/28/61/662192861.db2.gz OPUVCJZFLOTDNS-UHFFFAOYSA-N 2 2 321.384 3.102 20 0 DGADLP C[C@H]1CC[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@H]1n1cc[nH+]c1 ZINC000246572029 662265196 /nfs/dbraw/zinc/26/51/96/662265196.db2.gz LGCMEHYEPMYHAD-QFBILLFUSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@H]1n1cc[nH+]c1 ZINC000246572029 662265197 /nfs/dbraw/zinc/26/51/97/662265197.db2.gz LGCMEHYEPMYHAD-QFBILLFUSA-N 2 2 321.428 3.287 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000378960663 685147295 /nfs/dbraw/zinc/14/72/95/685147295.db2.gz QDLRSYTVNRYCBE-MRXNPFEDSA-N 2 2 301.434 3.283 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000390709794 685204620 /nfs/dbraw/zinc/20/46/20/685204620.db2.gz IXPPJOOJRLSMQT-KRWDZBQOSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000390709794 685204626 /nfs/dbraw/zinc/20/46/26/685204626.db2.gz IXPPJOOJRLSMQT-KRWDZBQOSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118888 685235200 /nfs/dbraw/zinc/23/52/00/685235200.db2.gz GPGRYOGXQBPSDU-KSSFIOAISA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000398118888 685235206 /nfs/dbraw/zinc/23/52/06/685235206.db2.gz GPGRYOGXQBPSDU-KSSFIOAISA-N 2 2 315.486 3.452 20 0 DGADLP CCC(CC)(C[NH3+])C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001577051844 1191881748 /nfs/dbraw/zinc/88/17/48/1191881748.db2.gz BVABBQLZEZPROV-UHFFFAOYSA-N 3 2 320.868 3.380 20 0 DGADLP C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C[NH3+])cc1 ZINC001578489445 1191946099 /nfs/dbraw/zinc/94/60/99/1191946099.db2.gz POTONHNCZQPXDW-UHFFFAOYSA-N 2 2 306.413 3.167 20 0 DGADLP C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C[NH3+])cc1 ZINC001578489445 1191946100 /nfs/dbraw/zinc/94/61/00/1191946100.db2.gz POTONHNCZQPXDW-UHFFFAOYSA-N 2 2 306.413 3.167 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001578663564 1191950790 /nfs/dbraw/zinc/95/07/90/1191950790.db2.gz FWRHXPSPXWVJPE-LLVKDONJSA-N 2 2 323.412 3.130 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001578663564 1191950792 /nfs/dbraw/zinc/95/07/92/1191950792.db2.gz FWRHXPSPXWVJPE-LLVKDONJSA-N 2 2 323.412 3.130 20 0 DGADLP CO[C@H](C)c1nc(C[NH+]2CCC([C@H]3[NH2+]CC3(C)C)CC2)cs1 ZINC001578905008 1191961072 /nfs/dbraw/zinc/96/10/72/1191961072.db2.gz QLWRKFMIYQPNCJ-IUODEOHRSA-N 2 2 323.506 3.061 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001579548520 1191979423 /nfs/dbraw/zinc/97/94/23/1191979423.db2.gz WJQSWUKZRUQQBW-PXNSSMCTSA-N 3 2 324.472 3.145 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001579548520 1191979424 /nfs/dbraw/zinc/97/94/24/1191979424.db2.gz WJQSWUKZRUQQBW-PXNSSMCTSA-N 3 2 324.472 3.145 20 0 DGADLP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC001579580259 1191980272 /nfs/dbraw/zinc/98/02/72/1191980272.db2.gz TZRDYPWMMOFFFQ-NJYVYQBISA-N 2 2 324.468 3.072 20 0 DGADLP [NH3+]C[C@H](CSc1[nH+]cc2ccccn21)c1ccc(F)cc1 ZINC001580216037 1192014345 /nfs/dbraw/zinc/01/43/45/1192014345.db2.gz SRMAJQIABFYOGY-CYBMUJFWSA-N 2 2 301.390 3.308 20 0 DGADLP Clc1ncccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001620890216 1192557576 /nfs/dbraw/zinc/55/75/76/1192557576.db2.gz COTIAAYSEAJREX-UHFFFAOYSA-N 2 2 307.869 3.479 20 0 DGADLP Cc1sc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000227908922 1176576732 /nfs/dbraw/zinc/57/67/32/1176576732.db2.gz WYPOMRFICLWUOB-GXSJLCMTSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1sc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000227908922 1176576741 /nfs/dbraw/zinc/57/67/41/1176576741.db2.gz WYPOMRFICLWUOB-GXSJLCMTSA-N 2 2 317.296 3.378 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161633046 1176669411 /nfs/dbraw/zinc/66/94/11/1176669411.db2.gz TXGOBFAPGISDTB-KVSKMBFKSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161633046 1176669417 /nfs/dbraw/zinc/66/94/17/1176669417.db2.gz TXGOBFAPGISDTB-KVSKMBFKSA-N 3 2 310.445 3.150 20 0 DGADLP COc1cc2c(cc1C[NH2+]CCC[N@H+](C)CC(C)C)O[C@H](C)C2 ZINC001620994266 1192778334 /nfs/dbraw/zinc/77/83/34/1192778334.db2.gz HQVMWHJPSQAKKC-OAHLLOKOSA-N 2 2 320.477 3.086 20 0 DGADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+](C)CC(C)C)O[C@H](C)C2 ZINC001620994266 1192778336 /nfs/dbraw/zinc/77/83/36/1192778336.db2.gz HQVMWHJPSQAKKC-OAHLLOKOSA-N 2 2 320.477 3.086 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1ccccc1F ZINC001331922378 1178309035 /nfs/dbraw/zinc/30/90/35/1178309035.db2.gz IXGDJBUDAJZCPM-SREVYHEPSA-N 2 2 322.343 3.367 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC(C)(O)CC1)c1ccccc1 ZINC001333680695 1178652159 /nfs/dbraw/zinc/65/21/59/1178652159.db2.gz VRGLDNTWXCNMCG-DMKPSLHHSA-N 2 2 304.478 3.399 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)[nH+]c1C ZINC001333733129 1178662949 /nfs/dbraw/zinc/66/29/49/1178662949.db2.gz STCWHIGAHPRHNZ-CQSZACIVSA-N 2 2 312.417 3.022 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724713 1178786590 /nfs/dbraw/zinc/78/65/90/1178786590.db2.gz YGKCKDYGFOQKRI-YOEHRIQHSA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724713 1178786593 /nfs/dbraw/zinc/78/65/93/1178786593.db2.gz YGKCKDYGFOQKRI-YOEHRIQHSA-N 2 2 316.836 3.043 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC001335212415 1178869920 /nfs/dbraw/zinc/86/99/20/1178869920.db2.gz RIQPRIWCWFPDBI-XJKSGUPXSA-N 2 2 308.853 3.233 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC001335212415 1178869929 /nfs/dbraw/zinc/86/99/29/1178869929.db2.gz RIQPRIWCWFPDBI-XJKSGUPXSA-N 2 2 308.853 3.233 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnc(C3CC3)o2)[nH+]1 ZINC001335313701 1178892258 /nfs/dbraw/zinc/89/22/58/1178892258.db2.gz HLDIAPJFHKMESG-HNNXBMFYSA-N 2 2 312.417 3.332 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnc(C3CC3)o2)[nH+]1 ZINC001335313701 1178892267 /nfs/dbraw/zinc/89/22/67/1178892267.db2.gz HLDIAPJFHKMESG-HNNXBMFYSA-N 2 2 312.417 3.332 20 0 DGADLP CC(C)C[C@](C)(C[NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001341685825 1179048782 /nfs/dbraw/zinc/04/87/82/1179048782.db2.gz YOWKGLKVUGAAFR-QGZVFWFLSA-N 2 2 300.406 3.026 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001349487396 1179910353 /nfs/dbraw/zinc/91/03/53/1179910353.db2.gz SMDHZNVFEKCDLC-DVOMOZLQSA-N 2 2 301.459 3.286 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1)c1ccccc1 ZINC001353974946 1180697598 /nfs/dbraw/zinc/69/75/98/1180697598.db2.gz FHVMMTJLNVMTHP-SYAUCNOPSA-N 2 2 312.417 3.101 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001354461336 1180801897 /nfs/dbraw/zinc/80/18/97/1180801897.db2.gz WTPXFHBRTWWCMV-IRXDYDNUSA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001354461336 1180801905 /nfs/dbraw/zinc/80/19/05/1180801905.db2.gz WTPXFHBRTWWCMV-IRXDYDNUSA-N 2 2 317.477 3.166 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(Br)cc1F ZINC001579601223 1181828018 /nfs/dbraw/zinc/82/80/18/1181828018.db2.gz KZZKHTKICOLNDR-JQWIXIFHSA-N 2 2 315.230 3.127 20 0 DGADLP COc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)c(Cl)cc1O ZINC001652767172 1195648859 /nfs/dbraw/zinc/64/88/59/1195648859.db2.gz FUZRYGRMZCMNOL-UHFFFAOYSA-N 2 2 314.857 3.122 20 0 DGADLP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(Cl)cc1O ZINC001652767172 1195648864 /nfs/dbraw/zinc/64/88/64/1195648864.db2.gz FUZRYGRMZCMNOL-UHFFFAOYSA-N 2 2 314.857 3.122 20 0 DGADLP CCC[C@H](C)CCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001459470062 1182589520 /nfs/dbraw/zinc/58/95/20/1182589520.db2.gz ZAVUWHPGEHQBNN-INIZCTEOSA-N 2 2 305.466 3.429 20 0 DGADLP Cc1ncsc1CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001459879593 1182625461 /nfs/dbraw/zinc/62/54/61/1182625461.db2.gz FMXQEDJRGFUEAP-OAHLLOKOSA-N 2 2 318.490 3.072 20 0 DGADLP Cc1ncsc1CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001459879593 1182625466 /nfs/dbraw/zinc/62/54/66/1182625466.db2.gz FMXQEDJRGFUEAP-OAHLLOKOSA-N 2 2 318.490 3.072 20 0 DGADLP CCCOc1cccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460558395 1182696843 /nfs/dbraw/zinc/69/68/43/1182696843.db2.gz HMOYVDSMGXIBIB-OALUTQOASA-N 2 2 302.462 3.249 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H](C)C1 ZINC001461235363 1182783830 /nfs/dbraw/zinc/78/38/30/1182783830.db2.gz XWAOWVMEXIPPHK-MNZLEMJZSA-N 2 2 300.490 3.500 20 0 DGADLP C[C@@H](CF)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001461538686 1182825572 /nfs/dbraw/zinc/82/55/72/1182825572.db2.gz QFKJADKGXYLQSA-LBPRGKRZSA-N 2 2 311.788 3.063 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682210 1182842712 /nfs/dbraw/zinc/84/27/12/1182842712.db2.gz NEEYOIDMWYGMJF-SFHVURJKSA-N 2 2 313.489 3.375 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2c(n1)CCCC2 ZINC001461682210 1182842720 /nfs/dbraw/zinc/84/27/20/1182842720.db2.gz NEEYOIDMWYGMJF-SFHVURJKSA-N 2 2 313.489 3.375 20 0 DGADLP CCO[C@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)C[NH+](C)C ZINC001461743344 1182848951 /nfs/dbraw/zinc/84/89/51/1182848951.db2.gz SYDOWCRXOSXMPQ-LJQANCHMSA-N 2 2 320.477 3.064 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC001461830952 1182865240 /nfs/dbraw/zinc/86/52/40/1182865240.db2.gz AIMDUXJHFUBOAC-HIFRSBDPSA-N 2 2 311.495 3.205 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048808 1182900929 /nfs/dbraw/zinc/90/09/29/1182900929.db2.gz DPNPHNGQJLQALZ-IRXDYDNUSA-N 2 2 302.462 3.189 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048808 1182900933 /nfs/dbraw/zinc/90/09/33/1182900933.db2.gz DPNPHNGQJLQALZ-IRXDYDNUSA-N 2 2 302.462 3.189 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001462497734 1182961433 /nfs/dbraw/zinc/96/14/33/1182961433.db2.gz VDMQKIMRZKPMLK-OAHLLOKOSA-N 2 2 303.425 3.232 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001462497734 1182961439 /nfs/dbraw/zinc/96/14/39/1182961439.db2.gz VDMQKIMRZKPMLK-OAHLLOKOSA-N 2 2 303.425 3.232 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)s1 ZINC001462621051 1182976261 /nfs/dbraw/zinc/97/62/61/1182976261.db2.gz YATKQLVMIJGKDD-UICACZKSSA-N 2 2 305.491 3.073 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)s1 ZINC001462621051 1182976266 /nfs/dbraw/zinc/97/62/66/1182976266.db2.gz YATKQLVMIJGKDD-UICACZKSSA-N 2 2 305.491 3.073 20 0 DGADLP CC1(C)CC[N@H+](Cc2ccnn2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC001462669575 1182982759 /nfs/dbraw/zinc/98/27/59/1182982759.db2.gz SLOUGBZFJPVORK-UHFFFAOYSA-N 2 2 312.461 3.225 20 0 DGADLP CC1(C)CC[N@@H+](Cc2ccnn2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC001462669575 1182982762 /nfs/dbraw/zinc/98/27/62/1182982762.db2.gz SLOUGBZFJPVORK-UHFFFAOYSA-N 2 2 312.461 3.225 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1sc(N(C)C)nc1Cl ZINC001462676233 1182984412 /nfs/dbraw/zinc/98/44/12/1182984412.db2.gz XOBNVFSYPLDCIU-LLVKDONJSA-N 2 2 318.918 3.073 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H](C)c1ccncc1 ZINC001465206212 1183135743 /nfs/dbraw/zinc/13/57/43/1183135743.db2.gz ACOLZYSJVVTQIG-ZDUSSCGKSA-N 2 2 321.384 3.103 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@@H]1C ZINC001472705240 1183670098 /nfs/dbraw/zinc/67/00/98/1183670098.db2.gz UJNXGBZTHCJOMK-GOEBONIOSA-N 2 2 302.466 3.362 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@@H]1C ZINC001472705240 1183670101 /nfs/dbraw/zinc/67/01/01/1183670101.db2.gz UJNXGBZTHCJOMK-GOEBONIOSA-N 2 2 302.466 3.362 20 0 DGADLP Fc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1OC(F)(F)F ZINC001473917840 1183827288 /nfs/dbraw/zinc/82/72/88/1183827288.db2.gz UGKLFCASDIIRRH-UHFFFAOYSA-N 2 2 320.330 3.300 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001474067559 1183861557 /nfs/dbraw/zinc/86/15/57/1183861557.db2.gz ZHYHZUWGIHEFRM-UHFFFAOYSA-N 2 2 321.371 3.347 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](Cc2c(Cl)ccnc2F)CC1 ZINC001474356885 1183908249 /nfs/dbraw/zinc/90/82/49/1183908249.db2.gz ZJUGOHDDHGLEIJ-UHFFFAOYSA-N 2 2 313.848 3.428 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480826484 1184622526 /nfs/dbraw/zinc/62/25/26/1184622526.db2.gz LOMLCYLUNCZXLF-QGZVFWFLSA-N 2 2 317.477 3.391 20 0 DGADLP CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480826484 1184622531 /nfs/dbraw/zinc/62/25/31/1184622531.db2.gz LOMLCYLUNCZXLF-QGZVFWFLSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]C/C=C/Cl)C(C)C)c(C)[nH+]1 ZINC001496580552 1185215727 /nfs/dbraw/zinc/21/57/27/1185215727.db2.gz CNOGHDZLGDIFMD-LFAOLKIESA-N 2 2 323.868 3.103 20 0 DGADLP Cc1cc(F)cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC001548515393 1186061972 /nfs/dbraw/zinc/06/19/72/1186061972.db2.gz GEXFAQBUUPHTJO-AWEZNQCLSA-N 2 2 314.408 3.446 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC001615670066 1193525630 /nfs/dbraw/zinc/52/56/30/1193525630.db2.gz ZOHOYUGLTJMFQX-GOSISDBHSA-N 2 2 312.461 3.295 20 0 DGADLP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001541012552 1188267837 /nfs/dbraw/zinc/26/78/37/1188267837.db2.gz IHACFBPDBMUYRL-YJBOKZPZSA-N 2 2 315.461 3.094 20 0 DGADLP CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001541012552 1188267840 /nfs/dbraw/zinc/26/78/40/1188267840.db2.gz IHACFBPDBMUYRL-YJBOKZPZSA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001541012552 1188267843 /nfs/dbraw/zinc/26/78/43/1188267843.db2.gz IHACFBPDBMUYRL-YJBOKZPZSA-N 2 2 315.461 3.094 20 0 DGADLP CC[NH+]1CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001541012552 1188267846 /nfs/dbraw/zinc/26/78/46/1188267846.db2.gz IHACFBPDBMUYRL-YJBOKZPZSA-N 2 2 315.461 3.094 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)ccc1Cl ZINC001548851987 1188467615 /nfs/dbraw/zinc/46/76/15/1188467615.db2.gz YIFSENHSVCGYMW-AWEZNQCLSA-N 2 2 319.836 3.462 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)ccc1Cl ZINC001548851987 1188467617 /nfs/dbraw/zinc/46/76/17/1188467617.db2.gz YIFSENHSVCGYMW-AWEZNQCLSA-N 2 2 319.836 3.462 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@H]21 ZINC001549084185 1188492950 /nfs/dbraw/zinc/49/29/50/1188492950.db2.gz VXRBNPUKOIVBDE-QYZOEREBSA-N 2 2 311.429 3.186 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@H]21 ZINC001549084185 1188492952 /nfs/dbraw/zinc/49/29/52/1188492952.db2.gz VXRBNPUKOIVBDE-QYZOEREBSA-N 2 2 311.429 3.186 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549115889 1188496085 /nfs/dbraw/zinc/49/60/85/1188496085.db2.gz JZBODSGZWSOULT-GXFFZTMASA-N 2 2 319.396 3.031 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549115889 1188496086 /nfs/dbraw/zinc/49/60/86/1188496086.db2.gz JZBODSGZWSOULT-GXFFZTMASA-N 2 2 319.396 3.031 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222447 1188507863 /nfs/dbraw/zinc/50/78/63/1188507863.db2.gz MLWKRRCMCJMPGE-WMZOPIPTSA-N 2 2 305.466 3.195 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222447 1188507866 /nfs/dbraw/zinc/50/78/66/1188507866.db2.gz MLWKRRCMCJMPGE-WMZOPIPTSA-N 2 2 305.466 3.195 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001550174489 1188590409 /nfs/dbraw/zinc/59/04/09/1188590409.db2.gz BBPXRCFKEUDWPF-FVQBIDKESA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1c1ccc(F)cc1 ZINC001550174489 1188590411 /nfs/dbraw/zinc/59/04/11/1188590411.db2.gz BBPXRCFKEUDWPF-FVQBIDKESA-N 2 2 312.379 3.378 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@]34CCC[C@H]3[NH2+]CC4)cc2)[nH+]c1C ZINC001550217593 1188595246 /nfs/dbraw/zinc/59/52/46/1188595246.db2.gz DXXSDLZMBDTGNR-VQIMIIECSA-N 2 2 324.428 3.164 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@H]4C3)cs2)o1 ZINC001550541190 1188621531 /nfs/dbraw/zinc/62/15/31/1188621531.db2.gz RYKVBYFPWAYMLI-KBPBESRZSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@H]4C3)cs2)o1 ZINC001550541190 1188621535 /nfs/dbraw/zinc/62/15/35/1188621535.db2.gz RYKVBYFPWAYMLI-KBPBESRZSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)cs2)o1 ZINC001550541190 1188621539 /nfs/dbraw/zinc/62/15/39/1188621539.db2.gz RYKVBYFPWAYMLI-KBPBESRZSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@H]4C3)cs2)o1 ZINC001550541190 1188621544 /nfs/dbraw/zinc/62/15/44/1188621544.db2.gz RYKVBYFPWAYMLI-KBPBESRZSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c2c(n1)CCCC2 ZINC001550618247 1188631957 /nfs/dbraw/zinc/63/19/57/1188631957.db2.gz GXRXBHBKQLOXPP-MRXNPFEDSA-N 2 2 324.472 3.382 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c2c(n1)CCCC2 ZINC001550618247 1188631959 /nfs/dbraw/zinc/63/19/59/1188631959.db2.gz GXRXBHBKQLOXPP-MRXNPFEDSA-N 2 2 324.472 3.382 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC001559918691 1189256650 /nfs/dbraw/zinc/25/66/50/1189256650.db2.gz OWDLSTIUWVEUPS-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC001559918691 1189256656 /nfs/dbraw/zinc/25/66/56/1189256656.db2.gz OWDLSTIUWVEUPS-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CC(C)(C)c1coc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC001559943750 1189260401 /nfs/dbraw/zinc/26/04/01/1189260401.db2.gz QOVJIPSWARWMCQ-UHFFFAOYSA-N 2 2 314.433 3.079 20 0 DGADLP CC(C)(C)c1coc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC001559943750 1189260405 /nfs/dbraw/zinc/26/04/05/1189260405.db2.gz QOVJIPSWARWMCQ-UHFFFAOYSA-N 2 2 314.433 3.079 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1nsc2ccccc21 ZINC001560155058 1189284435 /nfs/dbraw/zinc/28/44/35/1189284435.db2.gz AAJIKWCBJMXNBC-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1nsc2ccccc21 ZINC001560155058 1189284437 /nfs/dbraw/zinc/28/44/37/1189284437.db2.gz AAJIKWCBJMXNBC-CQSZACIVSA-N 2 2 324.453 3.402 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC001560233937 1189296326 /nfs/dbraw/zinc/29/63/26/1189296326.db2.gz PTDAIHRMUHTHSP-INIZCTEOSA-N 2 2 303.450 3.091 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)cc1F ZINC001560237792 1189296788 /nfs/dbraw/zinc/29/67/88/1189296788.db2.gz FEFUJTLJKQGWEL-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cc1F ZINC001560237792 1189296792 /nfs/dbraw/zinc/29/67/92/1189296792.db2.gz FEFUJTLJKQGWEL-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1F ZINC001560237792 1189296795 /nfs/dbraw/zinc/29/67/95/1189296795.db2.gz FEFUJTLJKQGWEL-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1F ZINC001560237792 1189296800 /nfs/dbraw/zinc/29/68/00/1189296800.db2.gz FEFUJTLJKQGWEL-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@H](c2ccccc2)C1 ZINC001560514517 1189334515 /nfs/dbraw/zinc/33/45/15/1189334515.db2.gz RFKHAIOEYOVYRR-WBVHZDCISA-N 2 2 316.395 3.400 20 0 DGADLP C[N@H+]1C[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@H](c2ccccc2)C1 ZINC001560514517 1189334517 /nfs/dbraw/zinc/33/45/17/1189334517.db2.gz RFKHAIOEYOVYRR-WBVHZDCISA-N 2 2 316.395 3.400 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(F)c2ccccc12)C[NH+](C)C ZINC001560585628 1189344742 /nfs/dbraw/zinc/34/47/42/1189344742.db2.gz DDFDSAPBGOXAKP-HNNXBMFYSA-N 2 2 304.409 3.035 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001560615824 1189348035 /nfs/dbraw/zinc/34/80/35/1189348035.db2.gz BVUUWNXURBCUQS-DLBZAZTESA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001560615824 1189348039 /nfs/dbraw/zinc/34/80/39/1189348039.db2.gz BVUUWNXURBCUQS-DLBZAZTESA-N 2 2 324.509 3.210 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896566 1189401812 /nfs/dbraw/zinc/40/18/12/1189401812.db2.gz CFDBOXDJGFIODC-HZPDHXFCSA-N 2 2 312.498 3.064 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896566 1189401814 /nfs/dbraw/zinc/40/18/14/1189401814.db2.gz CFDBOXDJGFIODC-HZPDHXFCSA-N 2 2 312.498 3.064 20 0 DGADLP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)ccn1 ZINC001560934538 1189407466 /nfs/dbraw/zinc/40/74/66/1189407466.db2.gz TWCQIDUAJAHGIF-QAPCUYQASA-N 2 2 317.477 3.018 20 0 DGADLP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)ccn1 ZINC001560934538 1189407470 /nfs/dbraw/zinc/40/74/70/1189407470.db2.gz TWCQIDUAJAHGIF-QAPCUYQASA-N 2 2 317.477 3.018 20 0 DGADLP CC/C=C/CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001569409773 1190692908 /nfs/dbraw/zinc/69/29/08/1190692908.db2.gz MMTDBMFYJKVDNH-VOTSOKGWSA-N 2 2 315.461 3.215 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC001575149814 1191468409 /nfs/dbraw/zinc/46/84/09/1191468409.db2.gz KULWUZRSCXYLOB-KRWDZBQOSA-N 2 2 302.462 3.058 20 0 DGADLP CC1(C)CC[C@H](CC[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)OC1 ZINC001576410284 1191600410 /nfs/dbraw/zinc/60/04/10/1191600410.db2.gz YVHTTWIQKXJTER-CEXWTWQISA-N 2 2 316.489 3.317 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001620562560 1193779099 /nfs/dbraw/zinc/77/90/99/1193779099.db2.gz NBYAYKMAEKAVRD-UHFFFAOYSA-N 2 2 324.509 3.449 20 0 DGADLP CCc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001620731924 1193795834 /nfs/dbraw/zinc/79/58/34/1193795834.db2.gz LDLBCEVCESXONS-UHFFFAOYSA-N 2 2 306.413 3.428 20 0 DGADLP Fc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cnc1Cl ZINC001620747719 1193797853 /nfs/dbraw/zinc/79/78/53/1193797853.db2.gz SNXLGXIRPZKUMH-UHFFFAOYSA-N 2 2 316.767 3.350 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC001621288216 1193827195 /nfs/dbraw/zinc/82/71/95/1193827195.db2.gz ZVBYRJAJDXTTHL-GOSISDBHSA-N 2 2 315.505 3.225 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC001621288216 1193827197 /nfs/dbraw/zinc/82/71/97/1193827197.db2.gz ZVBYRJAJDXTTHL-GOSISDBHSA-N 2 2 315.505 3.225 20 0 DGADLP CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001631633606 1194346898 /nfs/dbraw/zinc/34/68/98/1194346898.db2.gz IDIPYNRNZBYBQL-GOSISDBHSA-N 2 2 315.461 3.095 20 0 DGADLP CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001631633606 1194346903 /nfs/dbraw/zinc/34/69/03/1194346903.db2.gz IDIPYNRNZBYBQL-GOSISDBHSA-N 2 2 315.461 3.095 20 0 DGADLP Cc1nc(N(C)CCCC[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC001640326800 1194806661 /nfs/dbraw/zinc/80/66/61/1194806661.db2.gz QESHBIOYJFZOCF-UHFFFAOYSA-N 2 2 316.493 3.366 20 0 DGADLP CCc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464167 1194911761 /nfs/dbraw/zinc/91/17/61/1194911761.db2.gz GNGPTEXTLZYCMR-PBHICJAKSA-N 2 2 314.477 3.055 20 0 DGADLP CCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(CC)[nH+]1 ZINC001642464167 1194911765 /nfs/dbraw/zinc/91/17/65/1194911765.db2.gz GNGPTEXTLZYCMR-PBHICJAKSA-N 2 2 314.477 3.055 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608808 1195193980 /nfs/dbraw/zinc/19/39/80/1195193980.db2.gz HJXJAMSYHLYUKX-GUDVDZBRSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608808 1195193983 /nfs/dbraw/zinc/19/39/83/1195193983.db2.gz HJXJAMSYHLYUKX-GUDVDZBRSA-N 2 2 308.510 3.390 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC001647035182 1195241645 /nfs/dbraw/zinc/24/16/45/1195241645.db2.gz FZGNREMWUROAFA-QWHCGFSZSA-N 2 2 316.367 3.390 20 0 DGADLP Clc1cncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001648148865 1195279973 /nfs/dbraw/zinc/27/99/73/1195279973.db2.gz OCIHJKURRKRYML-QGZVFWFLSA-N 2 2 312.804 3.463 20 0 DGADLP CCC[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001648531589 1195307733 /nfs/dbraw/zinc/30/77/33/1195307733.db2.gz YVIGMBKULOHGST-IBGZPJMESA-N 2 2 315.505 3.463 20 0 DGADLP CCC[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001648531589 1195307737 /nfs/dbraw/zinc/30/77/37/1195307737.db2.gz YVIGMBKULOHGST-IBGZPJMESA-N 2 2 315.505 3.463 20 0 DGADLP COc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001648703110 1195324334 /nfs/dbraw/zinc/32/43/34/1195324334.db2.gz XCWSUYNDFJKICQ-UHFFFAOYSA-N 2 2 313.426 3.275 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C2 ZINC001648775291 1195330027 /nfs/dbraw/zinc/33/00/27/1195330027.db2.gz HVOKPRYJCGEJRQ-FUHWJXTLSA-N 2 2 316.489 3.407 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001651117296 1195416286 /nfs/dbraw/zinc/41/62/86/1195416286.db2.gz UCVFCJVJQGNDKN-WWPOYFSUSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001651117296 1195416289 /nfs/dbraw/zinc/41/62/89/1195416289.db2.gz UCVFCJVJQGNDKN-WWPOYFSUSA-N 2 2 316.489 3.061 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC001651742307 1195504219 /nfs/dbraw/zinc/50/42/19/1195504219.db2.gz OTTLJOKYTGKREA-LJQANCHMSA-N 2 2 324.472 3.098 20 0 DGADLP Clc1cncc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1Cl ZINC001652635166 1195630460 /nfs/dbraw/zinc/63/04/60/1195630460.db2.gz ILMJUQIUJCPDDA-UHFFFAOYSA-N 2 2 307.184 3.326 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001652932353 1195672399 /nfs/dbraw/zinc/67/23/99/1195672399.db2.gz WHQSLPODZLVZMO-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC001653266144 1195704818 /nfs/dbraw/zinc/70/48/18/1195704818.db2.gz JZWVWBOMVFEIPE-UHFFFAOYSA-N 2 2 304.482 3.127 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC001653266144 1195704820 /nfs/dbraw/zinc/70/48/20/1195704820.db2.gz JZWVWBOMVFEIPE-UHFFFAOYSA-N 2 2 304.482 3.127 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001653830763 1195753826 /nfs/dbraw/zinc/75/38/26/1195753826.db2.gz VYLWGOBQYNFFLW-KRWDZBQOSA-N 2 2 321.424 3.428 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001653830763 1195753829 /nfs/dbraw/zinc/75/38/29/1195753829.db2.gz VYLWGOBQYNFFLW-KRWDZBQOSA-N 2 2 321.424 3.428 20 0 DGADLP C[C@@H](C[NH+]1CCOCC1)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC001654161467 1195780373 /nfs/dbraw/zinc/78/03/73/1195780373.db2.gz CTRQNADFYMUROU-GOSISDBHSA-N 2 2 308.510 3.391 20 0 DGADLP C[C@@H](C[NH+]1CCOCC1)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001654161467 1195780376 /nfs/dbraw/zinc/78/03/76/1195780376.db2.gz CTRQNADFYMUROU-GOSISDBHSA-N 2 2 308.510 3.391 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000069669532 1195810035 /nfs/dbraw/zinc/81/00/35/1195810035.db2.gz OTVCZEJWZVEDFK-UHFFFAOYSA-N 2 2 310.445 3.106 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000069747567 1195817260 /nfs/dbraw/zinc/81/72/60/1195817260.db2.gz MFQCRCRFWDPTKJ-UHFFFAOYSA-N 2 2 324.468 3.425 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001655130134 1195880234 /nfs/dbraw/zinc/88/02/34/1195880234.db2.gz AGHJWQZWURWRGN-HOTGVXAUSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001655130134 1195880237 /nfs/dbraw/zinc/88/02/37/1195880237.db2.gz AGHJWQZWURWRGN-HOTGVXAUSA-N 2 2 305.466 3.387 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC001655302319 1195901440 /nfs/dbraw/zinc/90/14/40/1195901440.db2.gz VGLBDJFXHDIQGF-CHWSQXEVSA-N 2 2 313.848 3.332 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001655724607 1195956029 /nfs/dbraw/zinc/95/60/29/1195956029.db2.gz CBXYXERMHCQZPL-CVEARBPZSA-N 2 2 314.477 3.409 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C2 ZINC001656045032 1195990928 /nfs/dbraw/zinc/99/09/28/1195990928.db2.gz WMWGSQUHEKNMMQ-WMZOPIPTSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C2 ZINC001656045032 1195990932 /nfs/dbraw/zinc/99/09/32/1195990932.db2.gz WMWGSQUHEKNMMQ-WMZOPIPTSA-N 2 2 316.489 3.264 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001656059511 1195993080 /nfs/dbraw/zinc/99/30/80/1195993080.db2.gz IEUQHFRSWJXARX-HUUCEWRRSA-N 2 2 308.441 3.292 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)CC2 ZINC001656245745 1196023445 /nfs/dbraw/zinc/02/34/45/1196023445.db2.gz VWHFWAZYUBANFB-APWZRJJASA-N 2 2 316.489 3.263 20 0 DGADLP Cc1cccn2c(C[NH2+]CCCCNc3cccc[nH+]3)cnc12 ZINC001656321491 1196030093 /nfs/dbraw/zinc/03/00/93/1196030093.db2.gz GHPMOBHZPZLUTR-UHFFFAOYSA-N 2 2 309.417 3.020 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001656541039 1196048641 /nfs/dbraw/zinc/04/86/41/1196048641.db2.gz ROZLRTGEOXZOAW-CYBMUJFWSA-N 2 2 318.490 3.295 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001656541039 1196048644 /nfs/dbraw/zinc/04/86/44/1196048644.db2.gz ROZLRTGEOXZOAW-CYBMUJFWSA-N 2 2 318.490 3.295 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cn2cccc(F)c2n1)C1CCCCC1 ZINC001656617071 1196055171 /nfs/dbraw/zinc/05/51/71/1196055171.db2.gz TWIMISKNCIMZBT-UHFFFAOYSA-N 2 2 318.440 3.218 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cn2cccc(F)c2n1)C1CCCCC1 ZINC001656617071 1196055173 /nfs/dbraw/zinc/05/51/73/1196055173.db2.gz TWIMISKNCIMZBT-UHFFFAOYSA-N 2 2 318.440 3.218 20 0 DGADLP Clc1cc(C[NH2+]CC2CC2)ccc1OCCn1cc[nH+]c1 ZINC001656719442 1196065154 /nfs/dbraw/zinc/06/51/54/1196065154.db2.gz KBDDGQQXXLBWNT-UHFFFAOYSA-N 2 2 305.809 3.115 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1OCC(F)F ZINC001656746334 1196068184 /nfs/dbraw/zinc/06/81/84/1196068184.db2.gz HCJXTPHVSBACCA-UHFFFAOYSA-N 2 2 300.393 3.150 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1OCC(F)F ZINC001656746334 1196068186 /nfs/dbraw/zinc/06/81/86/1196068186.db2.gz HCJXTPHVSBACCA-UHFFFAOYSA-N 2 2 300.393 3.150 20 0 DGADLP COc1ccc(F)c(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001656787537 1196070878 /nfs/dbraw/zinc/07/08/78/1196070878.db2.gz SXGLGMREEPMWSG-HUUCEWRRSA-N 2 2 308.441 3.292 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081492 1196102559 /nfs/dbraw/zinc/10/25/59/1196102559.db2.gz CLXWNEIQJBPIIJ-MOPGFXCFSA-N 2 2 315.505 3.113 20 0 DGADLP C[N@H+]1CCCC[C@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081492 1196102560 /nfs/dbraw/zinc/10/25/60/1196102560.db2.gz CLXWNEIQJBPIIJ-MOPGFXCFSA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@H]1CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081492 1196102562 /nfs/dbraw/zinc/10/25/62/1196102562.db2.gz CLXWNEIQJBPIIJ-MOPGFXCFSA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@H]1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081492 1196102564 /nfs/dbraw/zinc/10/25/64/1196102564.db2.gz CLXWNEIQJBPIIJ-MOPGFXCFSA-N 2 2 315.505 3.113 20 0 DGADLP CC[C@H]1CCCC[C@H]1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001657282163 1196126302 /nfs/dbraw/zinc/12/63/02/1196126302.db2.gz BYWWXYKIOLEYDF-IRXDYDNUSA-N 2 2 317.477 3.429 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]Cc2csc3ccccc23)CCSC1 ZINC001657346883 1196131836 /nfs/dbraw/zinc/13/18/36/1196131836.db2.gz FYBMYSHYEAKNOP-INIZCTEOSA-N 2 2 306.500 3.428 20 0 DGADLP COc1ccc(C[NH+](C)C)cc1NCc1c[nH+]c2c(C)cccn12 ZINC001657527923 1196151312 /nfs/dbraw/zinc/15/13/12/1196151312.db2.gz KDGJORIMTFACKO-UHFFFAOYSA-N 2 2 324.428 3.325 20 0 DGADLP Cc1ccc(Br)c(F)c1C[NH2+]CCC[NH+]1CCC1 ZINC001657721758 1196171870 /nfs/dbraw/zinc/17/18/70/1196171870.db2.gz KEPAJHCJOMOUGM-UHFFFAOYSA-N 2 2 315.230 3.082 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)CC2 ZINC001657910337 1196193335 /nfs/dbraw/zinc/19/33/35/1196193335.db2.gz MOFUORTZECBJJA-MJGOQNOKSA-N 2 2 316.489 3.263 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001657910337 1196193337 /nfs/dbraw/zinc/19/33/37/1196193337.db2.gz MOFUORTZECBJJA-MJGOQNOKSA-N 2 2 316.489 3.263 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC001657962359 1196196774 /nfs/dbraw/zinc/19/67/74/1196196774.db2.gz DHCUHVNUGNCMRE-QRVBRYPASA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[N@H+]1Cc1ccccc1 ZINC001657962359 1196196777 /nfs/dbraw/zinc/19/67/77/1196196777.db2.gz DHCUHVNUGNCMRE-QRVBRYPASA-N 2 2 316.489 3.180 20 0 DGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CC1(C(C)C)CC1 ZINC001658347191 1196244354 /nfs/dbraw/zinc/24/43/54/1196244354.db2.gz LQIAASYODXMCQG-UHFFFAOYSA-N 2 2 306.450 3.484 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348539 1196245859 /nfs/dbraw/zinc/24/58/59/1196245859.db2.gz ZDRNOXJANMOPEP-WMZOPIPTSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348539 1196245863 /nfs/dbraw/zinc/24/58/63/1196245863.db2.gz ZDRNOXJANMOPEP-WMZOPIPTSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348539 1196245870 /nfs/dbraw/zinc/24/58/70/1196245870.db2.gz ZDRNOXJANMOPEP-WMZOPIPTSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348539 1196245876 /nfs/dbraw/zinc/24/58/76/1196245876.db2.gz ZDRNOXJANMOPEP-WMZOPIPTSA-N 2 2 318.509 3.298 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1c(F)ccc(O)c1F ZINC001658788740 1196301119 /nfs/dbraw/zinc/30/11/19/1196301119.db2.gz UFSYUDGQIHUREO-UHFFFAOYSA-N 2 2 312.404 3.368 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1c(F)ccc(O)c1F ZINC001658788740 1196301123 /nfs/dbraw/zinc/30/11/23/1196301123.db2.gz UFSYUDGQIHUREO-UHFFFAOYSA-N 2 2 312.404 3.368 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c1Cl ZINC001659027568 1196334757 /nfs/dbraw/zinc/33/47/57/1196334757.db2.gz DBXPVSIQBYVGFC-NSHDSACASA-N 2 2 300.780 3.050 20 0 DGADLP CCn1nccc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659114883 1196345981 /nfs/dbraw/zinc/34/59/81/1196345981.db2.gz QIJKVGSZAMHSNE-HNNXBMFYSA-N 2 2 315.465 3.234 20 0 DGADLP CCn1nccc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659114883 1196345984 /nfs/dbraw/zinc/34/59/84/1196345984.db2.gz QIJKVGSZAMHSNE-HNNXBMFYSA-N 2 2 315.465 3.234 20 0 DGADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659115035 1196346047 /nfs/dbraw/zinc/34/60/47/1196346047.db2.gz VTVUHMZBKXFOKM-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1ncoc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001659115035 1196346055 /nfs/dbraw/zinc/34/60/55/1196346055.db2.gz VTVUHMZBKXFOKM-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n(C)n1 ZINC001659115018 1196346838 /nfs/dbraw/zinc/34/68/38/1196346838.db2.gz VMTOPNSKMKVVJL-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n(C)n1 ZINC001659115018 1196346842 /nfs/dbraw/zinc/34/68/42/1196346842.db2.gz VMTOPNSKMKVVJL-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001659114911 1196346903 /nfs/dbraw/zinc/34/69/03/1196346903.db2.gz RGMNSSISROVABR-MRXNPFEDSA-N 2 2 313.449 3.315 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001659114911 1196346906 /nfs/dbraw/zinc/34/69/06/1196346906.db2.gz RGMNSSISROVABR-MRXNPFEDSA-N 2 2 313.449 3.315 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001659414616 1196380404 /nfs/dbraw/zinc/38/04/04/1196380404.db2.gz LRCSQPQHKZGSMS-GFCCVEGCSA-N 2 2 322.815 3.062 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001659414616 1196380408 /nfs/dbraw/zinc/38/04/08/1196380408.db2.gz LRCSQPQHKZGSMS-GFCCVEGCSA-N 2 2 322.815 3.062 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC001659652963 1196402925 /nfs/dbraw/zinc/40/29/25/1196402925.db2.gz OUFVVBPXKJETPO-OALUTQOASA-N 2 2 315.505 3.223 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC001659669953 1196404505 /nfs/dbraw/zinc/40/45/05/1196404505.db2.gz MZNNRKFYKSVBJX-AWEZNQCLSA-N 2 2 311.267 3.066 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC001659669953 1196404510 /nfs/dbraw/zinc/40/45/10/1196404510.db2.gz MZNNRKFYKSVBJX-AWEZNQCLSA-N 2 2 311.267 3.066 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001659733775 1196409674 /nfs/dbraw/zinc/40/96/74/1196409674.db2.gz JFSPCTMZTBIJCR-RHSMWYFYSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001659733775 1196409677 /nfs/dbraw/zinc/40/96/77/1196409677.db2.gz JFSPCTMZTBIJCR-RHSMWYFYSA-N 2 2 308.441 3.387 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC001659774570 1196413517 /nfs/dbraw/zinc/41/35/17/1196413517.db2.gz GYZLQVKFBJJXHL-AWEZNQCLSA-N 2 2 305.853 3.438 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC001659774570 1196413521 /nfs/dbraw/zinc/41/35/21/1196413521.db2.gz GYZLQVKFBJJXHL-AWEZNQCLSA-N 2 2 305.853 3.438 20 0 DGADLP COc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000075800120 1196422919 /nfs/dbraw/zinc/42/29/19/1196422919.db2.gz FFQJCBODJNWUTN-UHFFFAOYSA-N 2 2 320.502 3.146 20 0 DGADLP Oc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001659901591 1196426654 /nfs/dbraw/zinc/42/66/54/1196426654.db2.gz AICUFFRCABIACQ-KRWDZBQOSA-N 2 2 311.360 3.259 20 0 DGADLP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cs1 ZINC001660370285 1196476053 /nfs/dbraw/zinc/47/60/53/1196476053.db2.gz RJZDLFOKDCNBGM-DZGCQCFKSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cs1 ZINC001660370285 1196476056 /nfs/dbraw/zinc/47/60/56/1196476056.db2.gz RJZDLFOKDCNBGM-DZGCQCFKSA-N 2 2 324.490 3.087 20 0 DGADLP C[C@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001660748525 1196519261 /nfs/dbraw/zinc/51/92/61/1196519261.db2.gz JCQRDVHLLDHQAH-WMZOPIPTSA-N 2 2 307.526 3.103 20 0 DGADLP C[C@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001660748525 1196519265 /nfs/dbraw/zinc/51/92/65/1196519265.db2.gz JCQRDVHLLDHQAH-WMZOPIPTSA-N 2 2 307.526 3.103 20 0 DGADLP CCCCOCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC001660773012 1196522563 /nfs/dbraw/zinc/52/25/63/1196522563.db2.gz JAGBLCFGQJEOAE-UHFFFAOYSA-N 2 2 310.404 3.200 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncc(Cl)c1Cl ZINC001664606007 1197020574 /nfs/dbraw/zinc/02/05/74/1197020574.db2.gz WUNNRBUBTXLWJI-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncc(Cl)c1Cl ZINC001664606007 1197020579 /nfs/dbraw/zinc/02/05/79/1197020579.db2.gz WUNNRBUBTXLWJI-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001673454289 1197087736 /nfs/dbraw/zinc/08/77/36/1197087736.db2.gz GRHHIFXSFJIJES-CQSZACIVSA-N 2 2 319.493 3.447 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001673454289 1197087739 /nfs/dbraw/zinc/08/77/39/1197087739.db2.gz GRHHIFXSFJIJES-CQSZACIVSA-N 2 2 319.493 3.447 20 0 DGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC001665853343 1197207658 /nfs/dbraw/zinc/20/76/58/1197207658.db2.gz LRLCPDQIHJXRGN-HOTGVXAUSA-N 2 2 316.493 3.450 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CC2CCCCC2)c(C)[nH+]1 ZINC001669618838 1197465631 /nfs/dbraw/zinc/46/56/31/1197465631.db2.gz XVUHSIQKNUDFLG-HNNXBMFYSA-N 2 2 317.477 3.295 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(C)c2)C1 ZINC000389232862 1197710300 /nfs/dbraw/zinc/71/03/00/1197710300.db2.gz IYCDUWXVQWICTF-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(C)c2)C1 ZINC000389232862 1197710304 /nfs/dbraw/zinc/71/03/04/1197710304.db2.gz IYCDUWXVQWICTF-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC000378928439 1197702817 /nfs/dbraw/zinc/70/28/17/1197702817.db2.gz VVAJYGUKMJINIK-RTWAWAEBSA-N 2 2 322.452 3.306 20 0 DGADLP c1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)cc1 ZINC000378928439 1197702819 /nfs/dbraw/zinc/70/28/19/1197702819.db2.gz VVAJYGUKMJINIK-RTWAWAEBSA-N 2 2 322.452 3.306 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000093109402 1198656760 /nfs/dbraw/zinc/65/67/60/1198656760.db2.gz TVDVRRJZIQGDQM-AWEZNQCLSA-N 2 2 307.507 3.089 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000093109402 1198656761 /nfs/dbraw/zinc/65/67/61/1198656761.db2.gz TVDVRRJZIQGDQM-AWEZNQCLSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093403314 1198686529 /nfs/dbraw/zinc/68/65/29/1198686529.db2.gz KRLSFTJAOYJJNB-KBPBESRZSA-N 2 2 307.507 3.404 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093403314 1198686535 /nfs/dbraw/zinc/68/65/35/1198686535.db2.gz KRLSFTJAOYJJNB-KBPBESRZSA-N 2 2 307.507 3.404 20 0 DGADLP Cn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C(C)(C)C)n1 ZINC000093961295 1198741246 /nfs/dbraw/zinc/74/12/46/1198741246.db2.gz JVDCVMFRSLBTEH-UHFFFAOYSA-N 2 2 323.444 3.193 20 0 DGADLP COC[C@@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301396761 1199437242 /nfs/dbraw/zinc/43/72/42/1199437242.db2.gz GKENPOUAEIRLBF-CYBMUJFWSA-N 2 2 319.836 3.045 20 0 DGADLP Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000304059909 1199610885 /nfs/dbraw/zinc/61/08/85/1199610885.db2.gz OCYTWFMBTPFGOW-LJQANCHMSA-N 2 2 307.397 3.004 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000116379435 1199797869 /nfs/dbraw/zinc/79/78/69/1199797869.db2.gz QINZRKNJYLKXJG-SFHVURJKSA-N 3 2 314.477 3.328 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@H+](C)CCC2CC2)c(C)[nH+]1 ZINC001755038554 1200605494 /nfs/dbraw/zinc/60/54/94/1200605494.db2.gz CELPPLUETGLEJD-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@@H+](C)CCC2CC2)c(C)[nH+]1 ZINC001755038554 1200605500 /nfs/dbraw/zinc/60/55/00/1200605500.db2.gz CELPPLUETGLEJD-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC(C)([NH2+]CC(C)C)CC2)c(C)[nH+]1 ZINC001755129363 1200648517 /nfs/dbraw/zinc/64/85/17/1200648517.db2.gz ATVBDQMJWKPDBA-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C)cn2)cc1F ZINC000134233906 1201199957 /nfs/dbraw/zinc/19/99/57/1201199957.db2.gz OXVLRURUTIDRAG-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncs2)[C@@H]1c1cccs1 ZINC000136212182 1201211275 /nfs/dbraw/zinc/21/12/75/1201211275.db2.gz DEEZVFNWRWXOFH-IUODEOHRSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncs2)[C@@H]1c1cccs1 ZINC000136212182 1201211284 /nfs/dbraw/zinc/21/12/84/1201211284.db2.gz DEEZVFNWRWXOFH-IUODEOHRSA-N 2 2 307.488 3.377 20 0 DGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]C[C@@H](C)CC ZINC001698607636 1201275960 /nfs/dbraw/zinc/27/59/60/1201275960.db2.gz KXISULGVSHSKIS-BLLLJJGKSA-N 2 2 305.466 3.151 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001698607638 1201276396 /nfs/dbraw/zinc/27/63/96/1201276396.db2.gz KXISULGVSHSKIS-MLGOLLRUSA-N 2 2 305.466 3.151 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001698607639 1201277124 /nfs/dbraw/zinc/27/71/24/1201277124.db2.gz KXISULGVSHSKIS-WBMJQRKESA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001698839627 1201493273 /nfs/dbraw/zinc/49/32/73/1201493273.db2.gz QTRWISJYSSWGNP-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP CCC(CC)C[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699414221 1201848264 /nfs/dbraw/zinc/84/82/64/1201848264.db2.gz SZQRZGGLJQUUDX-AWEZNQCLSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001753214060 1202184149 /nfs/dbraw/zinc/18/41/49/1202184149.db2.gz QMZODEIHWUJERY-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CCOC(=O)CC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000137920993 1202226293 /nfs/dbraw/zinc/22/62/93/1202226293.db2.gz MDHYZWKYCGNKQM-AEFFLSMTSA-N 2 2 318.461 3.145 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]([NH2+]CC(C)C)C(C)C)c(C)[nH+]1 ZINC001700712910 1202340742 /nfs/dbraw/zinc/34/07/42/1202340742.db2.gz IHQLYNZAVUQMEW-QGZVFWFLSA-N 2 2 319.493 3.397 20 0 DGADLP CCCC[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155170169 1202598523 /nfs/dbraw/zinc/59/85/23/1202598523.db2.gz JOUGQDPLVXNVTA-QGZVFWFLSA-N 2 2 320.477 3.066 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000234328468 1202603465 /nfs/dbraw/zinc/60/34/65/1202603465.db2.gz BWDAPFRMYOFDQC-LLVKDONJSA-N 2 2 318.795 3.373 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000234328468 1202603466 /nfs/dbraw/zinc/60/34/66/1202603466.db2.gz BWDAPFRMYOFDQC-LLVKDONJSA-N 2 2 318.795 3.373 20 0 DGADLP C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000237516827 1202675660 /nfs/dbraw/zinc/67/56/60/1202675660.db2.gz QTFUMZJZPGEUJI-QGZVFWFLSA-N 2 2 317.521 3.217 20 0 DGADLP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000237516827 1202675661 /nfs/dbraw/zinc/67/56/61/1202675661.db2.gz QTFUMZJZPGEUJI-QGZVFWFLSA-N 2 2 317.521 3.217 20 0 DGADLP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713955008 1202705526 /nfs/dbraw/zinc/70/55/26/1202705526.db2.gz AKYVUXQZHAWYCE-QAQDUYKDSA-N 2 2 317.477 3.438 20 0 DGADLP FC(F)Oc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000237838759 1202708475 /nfs/dbraw/zinc/70/84/75/1202708475.db2.gz LHULDYWXWWCJAD-UHFFFAOYSA-N 2 2 310.388 3.252 20 0 DGADLP CCC/C=C\CC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714255807 1202849848 /nfs/dbraw/zinc/84/98/48/1202849848.db2.gz FECLYTLMUFLBLL-QWGSZXSUSA-N 2 2 317.477 3.461 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001715244088 1203302426 /nfs/dbraw/zinc/30/24/26/1203302426.db2.gz HOQCISPCAHOIFS-ZDUSSCGKSA-N 2 2 319.493 3.399 20 0 DGADLP CCC(CC)C[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715247885 1203302842 /nfs/dbraw/zinc/30/28/42/1203302842.db2.gz WOVREGZDVSRWJP-CYBMUJFWSA-N 2 2 319.493 3.399 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725495462 1204159144 /nfs/dbraw/zinc/15/91/44/1204159144.db2.gz CPHDEJBHYNKWSV-IUODEOHRSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](CC2CC2)C(C)C)c(C)[nH+]1 ZINC001732011153 1204647683 /nfs/dbraw/zinc/64/76/83/1204647683.db2.gz PSQLVADMMMEOKW-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](CC2CC2)C(C)C)c(C)[nH+]1 ZINC001732011153 1204647686 /nfs/dbraw/zinc/64/76/86/1204647686.db2.gz PSQLVADMMMEOKW-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047002 1204998978 /nfs/dbraw/zinc/99/89/78/1204998978.db2.gz ONXKDSCFTLZFET-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047002 1204998979 /nfs/dbraw/zinc/99/89/79/1204998979.db2.gz ONXKDSCFTLZFET-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001733537823 1205157896 /nfs/dbraw/zinc/15/78/96/1205157896.db2.gz SILIVVSUDPUPRV-NVXWUHKLSA-N 2 2 317.477 3.103 20 0 DGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001733553157 1205160692 /nfs/dbraw/zinc/16/06/92/1205160692.db2.gz VEQIDIJJYMEHCL-WMLDXEAASA-N 2 2 317.477 3.105 20 0 DGADLP CCC[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001733866503 1205235395 /nfs/dbraw/zinc/23/53/95/1205235395.db2.gz FBSWGZKDEKYMGI-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP CCCC[C@@H](C[NH2+]CCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001734098484 1205322047 /nfs/dbraw/zinc/32/20/47/1205322047.db2.gz YKSFOYCRHIACNI-INIZCTEOSA-N 2 2 305.466 3.295 20 0 DGADLP CC(C)CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001734568004 1205396454 /nfs/dbraw/zinc/39/64/54/1205396454.db2.gz GYCCVGVGGLMEJN-CVEARBPZSA-N 2 2 322.497 3.001 20 0 DGADLP [NH3+]Cc1cnc2c(ccn2-c2cc3c4c(c2)CCC[NH+]4CCC3)c1 ZINC001167312922 1081946302 /nfs/dbraw/zinc/94/63/02/1081946302.db2.gz ACKRLIGOYARQLE-UHFFFAOYSA-N 2 2 318.424 3.183 20 0 DGADLP CO[C@@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCC1 ZINC001170061857 1081974516 /nfs/dbraw/zinc/97/45/16/1081974516.db2.gz DVKWMGOZOMEAMP-SFHVURJKSA-N 2 2 308.466 3.239 20 0 DGADLP CO[C@@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCC1 ZINC001170061857 1081974520 /nfs/dbraw/zinc/97/45/20/1081974520.db2.gz DVKWMGOZOMEAMP-SFHVURJKSA-N 2 2 308.466 3.239 20 0 DGADLP CO[C@@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)C1CCCC1 ZINC001170061857 1081974525 /nfs/dbraw/zinc/97/45/25/1081974525.db2.gz DVKWMGOZOMEAMP-SFHVURJKSA-N 2 2 308.466 3.239 20 0 DGADLP CO[C@@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC001170061857 1081974530 /nfs/dbraw/zinc/97/45/30/1081974530.db2.gz DVKWMGOZOMEAMP-SFHVURJKSA-N 2 2 308.466 3.239 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@H]3CCC[C@H](C)C3)CC2)c1 ZINC001167342445 1081988734 /nfs/dbraw/zinc/98/87/34/1081988734.db2.gz XRJSNBVBRWPTDD-DLBZAZTESA-N 2 2 317.477 3.429 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC001167342447 1081988795 /nfs/dbraw/zinc/98/87/95/1081988795.db2.gz XRJSNBVBRWPTDD-IRXDYDNUSA-N 2 2 317.477 3.429 20 0 DGADLP CC(C)CCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000075784231 1082100276 /nfs/dbraw/zinc/10/02/76/1082100276.db2.gz JVHKXYDWILRKAO-MRXNPFEDSA-N 2 2 301.434 3.486 20 0 DGADLP C[C@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000398231223 1082114189 /nfs/dbraw/zinc/11/41/89/1082114189.db2.gz WUUXUMBADGEMLV-QFBILLFUSA-N 3 2 324.472 3.186 20 0 DGADLP C[C@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231223 1082114193 /nfs/dbraw/zinc/11/41/93/1082114193.db2.gz WUUXUMBADGEMLV-QFBILLFUSA-N 3 2 324.472 3.186 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170126471 1082132931 /nfs/dbraw/zinc/13/29/31/1082132931.db2.gz ZANAELGUXRTFOC-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170126471 1082132934 /nfs/dbraw/zinc/13/29/34/1082132934.db2.gz ZANAELGUXRTFOC-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411442 1082370337 /nfs/dbraw/zinc/37/03/37/1082370337.db2.gz LLAPYVARLZDUPP-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411442 1082370340 /nfs/dbraw/zinc/37/03/40/1082370340.db2.gz LLAPYVARLZDUPP-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001130001080 1082517210 /nfs/dbraw/zinc/51/72/10/1082517210.db2.gz BTZLJEPOKWWQIL-MRXNPFEDSA-N 2 2 322.497 3.002 20 0 DGADLP Nc1cc(CNc2cc[nH+]c3ccc(C(F)(F)F)cc23)cc[nH+]1 ZINC001167616610 1082607946 /nfs/dbraw/zinc/60/79/46/1082607946.db2.gz KGAQHIUDURSKSG-UHFFFAOYSA-N 2 2 318.302 3.265 20 0 DGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]cccc1C1CCOCC1 ZINC001167624705 1082618136 /nfs/dbraw/zinc/61/81/36/1082618136.db2.gz LONCAZLWVPIOKO-UHFFFAOYSA-N 2 2 317.477 3.460 20 0 DGADLP COc1[nH+]cc2cc[nH]c2c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625130 1082618286 /nfs/dbraw/zinc/61/82/86/1082618286.db2.gz NQSPQIVABHBCND-UHFFFAOYSA-N 2 2 302.422 3.056 20 0 DGADLP CCC/C=C/CC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560500 1082688035 /nfs/dbraw/zinc/68/80/35/1082688035.db2.gz QGHUCOZLOXRNAA-BQYQJAHWSA-N 2 2 303.450 3.073 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](CCC2CC2)C2CC2)c(C)[nH+]1 ZINC001267329960 1082804466 /nfs/dbraw/zinc/80/44/66/1082804466.db2.gz VNXQZNHXFUHVHZ-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](CCC2CC2)C2CC2)c(C)[nH+]1 ZINC001267329960 1082804474 /nfs/dbraw/zinc/80/44/74/1082804474.db2.gz VNXQZNHXFUHVHZ-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(-n3nc(C[NH3+])c4ccccc43)cc21 ZINC001167701572 1083115741 /nfs/dbraw/zinc/11/57/41/1083115741.db2.gz PUWTVDQSTKMATO-UHFFFAOYSA-N 2 2 318.424 3.485 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001170683958 1083117631 /nfs/dbraw/zinc/11/76/31/1083117631.db2.gz ATRNTNHTSGGAJO-HNNXBMFYSA-N 2 2 313.351 3.260 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170703424 1083178327 /nfs/dbraw/zinc/17/83/27/1083178327.db2.gz XGBWGUIOOZXNCY-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170703424 1083178329 /nfs/dbraw/zinc/17/83/29/1083178329.db2.gz XGBWGUIOOZXNCY-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC001170716212 1083222712 /nfs/dbraw/zinc/22/27/12/1083222712.db2.gz QGJJNQBTFNWOAY-LDLYASANSA-N 2 2 314.473 3.043 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134740456 1083326742 /nfs/dbraw/zinc/32/67/42/1083326742.db2.gz QEAIBDLFHFYQMV-KGLIPLIRSA-N 2 2 314.433 3.016 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(Cl)cc34)C[C@H]2C1 ZINC001137716235 1083713651 /nfs/dbraw/zinc/71/36/51/1083713651.db2.gz YXBZAHWLAALOGB-ZIAGYGMSSA-N 2 2 303.837 3.205 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(OC)cc1Cl ZINC001205281039 1084024478 /nfs/dbraw/zinc/02/44/78/1084024478.db2.gz OLMNCUOUSXEKFB-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OC)cc1Cl ZINC001205281039 1084024489 /nfs/dbraw/zinc/02/44/89/1084024489.db2.gz OLMNCUOUSXEKFB-INIZCTEOSA-N 2 2 312.841 3.061 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001167835714 1084158989 /nfs/dbraw/zinc/15/89/89/1084158989.db2.gz UDANGJGKCZCLGS-ROUUACIJSA-N 3 2 319.493 3.354 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001167835714 1084158996 /nfs/dbraw/zinc/15/89/96/1084158996.db2.gz UDANGJGKCZCLGS-ROUUACIJSA-N 3 2 319.493 3.354 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167896338 1084434866 /nfs/dbraw/zinc/43/48/66/1084434866.db2.gz BDURMBFIOITVPW-ALXJQNPVSA-N 2 2 300.446 3.048 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167914870 1084646715 /nfs/dbraw/zinc/64/67/15/1084646715.db2.gz XPXZHBVDGNJNDU-VQFNDLOPSA-N 2 2 302.437 3.487 20 0 DGADLP CCc1cc(N2CCC(CC)([NH+]3CCCC3)CC2)nc(CC)[nH+]1 ZINC001187255936 1084784346 /nfs/dbraw/zinc/78/43/46/1084784346.db2.gz CKEWTMMHTHMWCQ-UHFFFAOYSA-N 2 2 316.493 3.446 20 0 DGADLP COc1ccc(SCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001204729363 1084863161 /nfs/dbraw/zinc/86/31/61/1084863161.db2.gz KWJPCMYDELWUHH-UHFFFAOYSA-N 2 2 317.458 3.321 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001204940633 1084864608 /nfs/dbraw/zinc/86/46/08/1084864608.db2.gz ZIDDCRZBZHASRI-HNNXBMFYSA-N 2 2 322.250 3.244 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001204940633 1084864616 /nfs/dbraw/zinc/86/46/16/1084864616.db2.gz ZIDDCRZBZHASRI-HNNXBMFYSA-N 2 2 322.250 3.244 20 0 DGADLP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001168008568 1086173591 /nfs/dbraw/zinc/17/35/91/1086173591.db2.gz KIGXCYSYOKOGRA-GOSISDBHSA-N 2 2 310.445 3.478 20 0 DGADLP Cc1cc(C)nc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001168008568 1086173595 /nfs/dbraw/zinc/17/35/95/1086173595.db2.gz KIGXCYSYOKOGRA-GOSISDBHSA-N 2 2 310.445 3.478 20 0 DGADLP COCC[N@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141852903 1086477096 /nfs/dbraw/zinc/47/70/96/1086477096.db2.gz VQTBGNYRJTXJLN-UHFFFAOYSA-N 2 2 320.408 3.115 20 0 DGADLP COCC[N@@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141852903 1086477100 /nfs/dbraw/zinc/47/71/00/1086477100.db2.gz VQTBGNYRJTXJLN-UHFFFAOYSA-N 2 2 320.408 3.115 20 0 DGADLP C[C@@H]1CC([N@H+]2CCOC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039168 1086496220 /nfs/dbraw/zinc/49/62/20/1086496220.db2.gz BQFNHSGWEMKZFF-BRWVUGGUSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCOC[C@H]2C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039168 1086496226 /nfs/dbraw/zinc/49/62/26/1086496226.db2.gz BQFNHSGWEMKZFF-BRWVUGGUSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001168042335 1086512252 /nfs/dbraw/zinc/51/22/52/1086512252.db2.gz ZAVVVXBXGNIORV-BRWVUGGUSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001168042335 1086512258 /nfs/dbraw/zinc/51/22/58/1086512258.db2.gz ZAVVVXBXGNIORV-BRWVUGGUSA-N 2 2 302.462 3.149 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168095049 1086857588 /nfs/dbraw/zinc/85/75/88/1086857588.db2.gz YWKDKXDYLXYZIY-HNAYVOBHSA-N 2 2 320.452 3.256 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140391 1086976465 /nfs/dbraw/zinc/97/64/65/1086976465.db2.gz FKHWDQYIXNRSFP-QAPCUYQASA-N 2 2 320.452 3.289 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140391 1086976471 /nfs/dbraw/zinc/97/64/71/1086976471.db2.gz FKHWDQYIXNRSFP-QAPCUYQASA-N 2 2 320.452 3.289 20 0 DGADLP CCN(CC)c1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]cn1 ZINC001158268558 1087751272 /nfs/dbraw/zinc/75/12/72/1087751272.db2.gz ZXTVSNPSYIOPCA-KDOFPFPSSA-N 2 2 319.497 3.278 20 0 DGADLP CCN(CC)c1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc[nH+]1 ZINC001158268558 1087751278 /nfs/dbraw/zinc/75/12/78/1087751278.db2.gz ZXTVSNPSYIOPCA-KDOFPFPSSA-N 2 2 319.497 3.278 20 0 DGADLP CCN(CC)c1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]cn1 ZINC001158268559 1087751780 /nfs/dbraw/zinc/75/17/80/1087751780.db2.gz ZXTVSNPSYIOPCA-KSSFIOAISA-N 2 2 319.497 3.278 20 0 DGADLP CCN(CC)c1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc[nH+]1 ZINC001158268559 1087751790 /nfs/dbraw/zinc/75/17/90/1087751790.db2.gz ZXTVSNPSYIOPCA-KSSFIOAISA-N 2 2 319.497 3.278 20 0 DGADLP c1cc(CN2CC[NH2+]CC2)cc(Nc2cccc(C3CC3)[nH+]2)c1 ZINC001159365270 1088319921 /nfs/dbraw/zinc/31/99/21/1088319921.db2.gz CMNHNCWVPWUUPY-UHFFFAOYSA-N 2 2 308.429 3.108 20 0 DGADLP c1cc2c([nH]1)[nH+]ccc2Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC001159622728 1088422353 /nfs/dbraw/zinc/42/23/53/1088422353.db2.gz XFAXUOWRTHMJQV-UHFFFAOYSA-N 2 2 308.385 3.389 20 0 DGADLP COc1cc(Nc2ccccc2OC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001159805152 1088496526 /nfs/dbraw/zinc/49/65/26/1088496526.db2.gz GPMYKGDOIKIFTP-UHFFFAOYSA-N 2 2 313.401 3.273 20 0 DGADLP CCCc1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc(C)[nH+]1 ZINC001159950523 1088567565 /nfs/dbraw/zinc/56/75/65/1088567565.db2.gz XNYSCCOOCPXLCO-AWEZNQCLSA-N 2 2 320.440 3.497 20 0 DGADLP CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404188 1088596880 /nfs/dbraw/zinc/59/68/80/1088596880.db2.gz WIFCYUFNTXZMSK-DZGCQCFKSA-N 2 2 323.456 3.195 20 0 DGADLP CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404188 1088596887 /nfs/dbraw/zinc/59/68/87/1088596887.db2.gz WIFCYUFNTXZMSK-DZGCQCFKSA-N 2 2 323.456 3.195 20 0 DGADLP Cc1ccc(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC001160070363 1088630882 /nfs/dbraw/zinc/63/08/82/1088630882.db2.gz ADMGERMHLIEXIJ-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(Br)c2ccccc12 ZINC001236144022 1088645058 /nfs/dbraw/zinc/64/50/58/1088645058.db2.gz OWANSVLVWUYLQI-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Br)c2ccccc12 ZINC001236144022 1088645063 /nfs/dbraw/zinc/64/50/63/1088645063.db2.gz OWANSVLVWUYLQI-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2NC[C@H]1CCCC[NH2+]1 ZINC001160150981 1088670469 /nfs/dbraw/zinc/67/04/69/1088670469.db2.gz PRLKGUXBPCNIPR-MRXNPFEDSA-N 2 2 310.445 3.389 20 0 DGADLP c1cc2c([nH]1)[nH+]ccc2Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160210517 1088699402 /nfs/dbraw/zinc/69/94/02/1088699402.db2.gz BTRAVNLWVYJYPY-OAHLLOKOSA-N 2 2 308.385 3.389 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160400108 1088787620 /nfs/dbraw/zinc/78/76/20/1088787620.db2.gz PUBCRJHHOYMBIR-RDTXWAMCSA-N 2 2 307.397 3.459 20 0 DGADLP CSc1cc[nH+]c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])c1 ZINC001160664041 1088910462 /nfs/dbraw/zinc/91/04/62/1088910462.db2.gz AKQNJDQROAWDLQ-AWEZNQCLSA-N 2 2 301.459 3.405 20 0 DGADLP CC(C)c1ccc2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155064953 1088928041 /nfs/dbraw/zinc/92/80/41/1088928041.db2.gz YSXBESQPLFWVML-UHFFFAOYSA-N 2 2 321.428 3.406 20 0 DGADLP Cc1cccc2cc[nH+]c(N[C@@H]3CCC[C@H]3[NH+]3CCOCC3)c12 ZINC001160730416 1088934570 /nfs/dbraw/zinc/93/45/70/1088934570.db2.gz DTMMAOVXIVLCLF-IAGOWNOFSA-N 2 2 311.429 3.208 20 0 DGADLP Cc1nc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001155092015 1088938199 /nfs/dbraw/zinc/93/81/99/1088938199.db2.gz OZNSUQAWKFSMLM-IBGZPJMESA-N 2 2 322.456 3.328 20 0 DGADLP Cc1nc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001155092015 1088938215 /nfs/dbraw/zinc/93/82/15/1088938215.db2.gz OZNSUQAWKFSMLM-IBGZPJMESA-N 2 2 322.456 3.328 20 0 DGADLP Cc1cc(Cl)c(C)c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]1 ZINC001160741850 1088939727 /nfs/dbraw/zinc/93/97/27/1088939727.db2.gz SURWDZXEYYJRHJ-ONGXEEELSA-N 2 2 307.747 3.304 20 0 DGADLP COc1cccc2c1c(C[NH3+])cn2-c1[nH+]c(C)cc2[nH]ccc21 ZINC001160763493 1088945338 /nfs/dbraw/zinc/94/53/38/1088945338.db2.gz BQDZACFHLBZGNI-UHFFFAOYSA-N 2 2 306.369 3.283 20 0 DGADLP Clc1ccc2c(cc[nH+]c2NCC[C@@H]2CCOC23C[NH2+]C3)c1 ZINC001155479076 1089131420 /nfs/dbraw/zinc/13/14/20/1089131420.db2.gz ZIMITEHAYOKEBP-CYBMUJFWSA-N 2 2 317.820 3.069 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592151 1089178022 /nfs/dbraw/zinc/17/80/22/1089178022.db2.gz MLARBIMICWSPLJ-DNVCBOLYSA-N 2 2 311.429 3.114 20 0 DGADLP Cc1cccc2c(C)cc(NC3CCN([C@H]4CC[NH2+]C4)CC3)[nH+]c12 ZINC001161463467 1089252930 /nfs/dbraw/zinc/25/29/30/1089252930.db2.gz LOJHPVZSEIKISR-KRWDZBQOSA-N 2 2 324.472 3.090 20 0 DGADLP CSc1cc[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001156001335 1089338866 /nfs/dbraw/zinc/33/88/66/1089338866.db2.gz PFTKVXLQHKLDQB-UHFFFAOYSA-N 2 2 314.458 3.278 20 0 DGADLP CC(C)(C)OC(=O)Nc1cc(NCCCn2cc[nH+]c2)cc[nH+]1 ZINC001161684920 1089344893 /nfs/dbraw/zinc/34/48/93/1089344893.db2.gz XPNIYLQBQIIEDI-UHFFFAOYSA-N 2 2 317.393 3.127 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC001156387356 1089499119 /nfs/dbraw/zinc/49/91/19/1089499119.db2.gz DVGALCSENMTVDO-INIZCTEOSA-N 2 2 319.497 3.247 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC001156387356 1089499127 /nfs/dbraw/zinc/49/91/27/1089499127.db2.gz DVGALCSENMTVDO-INIZCTEOSA-N 2 2 319.497 3.247 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC001156387356 1089499135 /nfs/dbraw/zinc/49/91/35/1089499135.db2.gz DVGALCSENMTVDO-INIZCTEOSA-N 2 2 319.497 3.247 20 0 DGADLP CCCN(CCC)c1cc(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC001156387356 1089499145 /nfs/dbraw/zinc/49/91/45/1089499145.db2.gz DVGALCSENMTVDO-INIZCTEOSA-N 2 2 319.497 3.247 20 0 DGADLP Cc1c[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC001156389493 1089501855 /nfs/dbraw/zinc/50/18/55/1089501855.db2.gz VLZTZEDIDQNIOE-UHFFFAOYSA-N 2 2 311.429 3.143 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCC3C[NH+](Cc4ccccc4)C3)c2c1C ZINC001156399488 1089505099 /nfs/dbraw/zinc/50/50/99/1089505099.db2.gz ZKZWAKSVBISLNK-UHFFFAOYSA-N 2 2 321.428 3.119 20 0 DGADLP [NH3+][C@H]1CCC[C@H](Nc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001162397446 1089714099 /nfs/dbraw/zinc/71/40/99/1089714099.db2.gz UTJUWTFTUXFOGG-UWVGGRQHSA-N 2 2 309.211 3.007 20 0 DGADLP [NH3+][C@H]1CCC[C@H](Nc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001162397446 1089714114 /nfs/dbraw/zinc/71/41/14/1089714114.db2.gz UTJUWTFTUXFOGG-UWVGGRQHSA-N 2 2 309.211 3.007 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](Nc2c(Br)c[nH+]c3ccccc32)C1 ZINC001162402652 1089716663 /nfs/dbraw/zinc/71/66/63/1089716663.db2.gz UZUPCQXMMBNIEQ-WDEREUQCSA-N 2 2 320.234 3.101 20 0 DGADLP CCCc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc(CCC)[nH+]1 ZINC001162462675 1089745470 /nfs/dbraw/zinc/74/54/70/1089745470.db2.gz XELPHRPUANDVBE-CABCVRRESA-N 2 2 304.482 3.429 20 0 DGADLP Cc1nc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc(C(C)C)[nH+]1 ZINC001157215398 1089875697 /nfs/dbraw/zinc/87/56/97/1089875697.db2.gz ULWPZTJNVROISR-UHFFFAOYSA-N 2 2 310.401 3.059 20 0 DGADLP Cc1cc(N[C@H](C[NH+]2CCOCC2)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001162880231 1090005457 /nfs/dbraw/zinc/00/54/57/1090005457.db2.gz IYAJTEKVLZYMOO-OAHLLOKOSA-N 2 2 320.481 3.067 20 0 DGADLP COc1ccc([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)c2[nH]ccc21 ZINC001163061480 1090066429 /nfs/dbraw/zinc/06/64/29/1090066429.db2.gz VZYJUHLEHUQHJY-CQSZACIVSA-N 2 2 324.428 3.200 20 0 DGADLP COc1cccc([C@@H](C[NH3+])Nc2cc(C(C)C)[nH+]c(C)n2)c1 ZINC001163302923 1090145037 /nfs/dbraw/zinc/14/50/37/1090145037.db2.gz CGSKACGSJCSPOY-MRXNPFEDSA-N 2 2 300.406 3.029 20 0 DGADLP CC(C)c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc(C(C)C)[nH+]1 ZINC001163317882 1090149104 /nfs/dbraw/zinc/14/91/04/1090149104.db2.gz XVPFCMGPCXWIRL-KDOFPFPSSA-N 2 2 318.465 3.046 20 0 DGADLP CC(C)c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc(C(C)C)[nH+]1 ZINC001163317884 1090149211 /nfs/dbraw/zinc/14/92/11/1090149211.db2.gz XVPFCMGPCXWIRL-RDTXWAMCSA-N 2 2 318.465 3.046 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001163331538 1090153647 /nfs/dbraw/zinc/15/36/47/1090153647.db2.gz CSTSOSZAQHTAGC-QFBILLFUSA-N 2 2 317.477 3.164 20 0 DGADLP Cc1c[nH+]ccc1N1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001158105048 1090184573 /nfs/dbraw/zinc/18/45/73/1090184573.db2.gz UKNJTLBUBXXRIH-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP CCN(c1[nH+]c(N2CCCC2)cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001158204416 1090200489 /nfs/dbraw/zinc/20/04/89/1090200489.db2.gz FRNGMFZLUGACFB-QGZVFWFLSA-N 2 2 324.472 3.413 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(C(C)C)c[nH+]2)CC1 ZINC001165107794 1090465916 /nfs/dbraw/zinc/46/59/16/1090465916.db2.gz GAXTUAPUKDEMMH-SFHVURJKSA-N 2 2 317.477 3.285 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc(C(C)C)c[nH+]2)CC1 ZINC001165107794 1090465919 /nfs/dbraw/zinc/46/59/19/1090465919.db2.gz GAXTUAPUKDEMMH-SFHVURJKSA-N 2 2 317.477 3.285 20 0 DGADLP COc1cc[nH+]c(N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001165200522 1090478648 /nfs/dbraw/zinc/47/86/48/1090478648.db2.gz FAZQOSHHRXZINZ-CVEARBPZSA-N 2 2 311.429 3.189 20 0 DGADLP COc1cc[nH+]c(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001165200522 1090478650 /nfs/dbraw/zinc/47/86/50/1090478650.db2.gz FAZQOSHHRXZINZ-CVEARBPZSA-N 2 2 311.429 3.189 20 0 DGADLP Cc1cc[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC001165325737 1090504037 /nfs/dbraw/zinc/50/40/37/1090504037.db2.gz AHDGXFDGAQLFHS-UHFFFAOYSA-N 2 2 311.429 3.143 20 0 DGADLP Cc1[nH+]c2c(n1-c1nccc3ccc(Cl)cc31)CC[NH2+]CC2 ZINC001165354007 1090510001 /nfs/dbraw/zinc/51/00/01/1090510001.db2.gz YDZDDRAMTHJDFW-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP Cc1c(F)cc[nH+]c1N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001165420516 1090519362 /nfs/dbraw/zinc/51/93/62/1090519362.db2.gz JEIUVVMFEWNQCI-APWZRJJASA-N 2 2 311.404 3.113 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC/C=C/c3ccccc3)c2)C1 ZINC001166109620 1090578832 /nfs/dbraw/zinc/57/88/32/1090578832.db2.gz ORRIDBFGDYNNFC-NTPDMAOXSA-N 2 2 307.441 3.345 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC/C=C/c3ccccc3)c2)C1 ZINC001166109620 1090578837 /nfs/dbraw/zinc/57/88/37/1090578837.db2.gz ORRIDBFGDYNNFC-NTPDMAOXSA-N 2 2 307.441 3.345 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000715531847 1090627542 /nfs/dbraw/zinc/62/75/42/1090627542.db2.gz JWQJJQKBHDIDLC-WOJBJXKFSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2nccc(Cl)c2Cl)CC1 ZINC001167031270 1090698266 /nfs/dbraw/zinc/69/82/66/1090698266.db2.gz JVZVUZQKSBZZPK-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203348916 1090723820 /nfs/dbraw/zinc/72/38/20/1090723820.db2.gz XIKHAPYNTKGKMT-HOTGVXAUSA-N 2 2 316.445 3.451 20 0 DGADLP Fc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203348922 1090723850 /nfs/dbraw/zinc/72/38/50/1090723850.db2.gz XIKHAPYNTKGKMT-IYBDPMFKSA-N 2 2 316.445 3.451 20 0 DGADLP Fc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203348922 1090723853 /nfs/dbraw/zinc/72/38/53/1090723853.db2.gz XIKHAPYNTKGKMT-IYBDPMFKSA-N 2 2 316.445 3.451 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203348922 1090723855 /nfs/dbraw/zinc/72/38/55/1090723855.db2.gz XIKHAPYNTKGKMT-IYBDPMFKSA-N 2 2 316.445 3.451 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203348922 1090723859 /nfs/dbraw/zinc/72/38/59/1090723859.db2.gz XIKHAPYNTKGKMT-IYBDPMFKSA-N 2 2 316.445 3.451 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069713 1090890406 /nfs/dbraw/zinc/89/04/06/1090890406.db2.gz BKLLEFLLUODBCF-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069713 1090890415 /nfs/dbraw/zinc/89/04/15/1090890415.db2.gz BKLLEFLLUODBCF-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069713 1090890420 /nfs/dbraw/zinc/89/04/20/1090890420.db2.gz BKLLEFLLUODBCF-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069713 1090890429 /nfs/dbraw/zinc/89/04/29/1090890429.db2.gz BKLLEFLLUODBCF-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP CCCn1cncc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001204306678 1090945386 /nfs/dbraw/zinc/94/53/86/1090945386.db2.gz JIHGEMCPQIJOJM-INIZCTEOSA-N 2 2 313.449 3.073 20 0 DGADLP CCCn1cncc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001204306678 1090945390 /nfs/dbraw/zinc/94/53/90/1090945390.db2.gz JIHGEMCPQIJOJM-INIZCTEOSA-N 2 2 313.449 3.073 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001168709653 1090968672 /nfs/dbraw/zinc/96/86/72/1090968672.db2.gz UUAPRUBIIYXFJW-HUUCEWRRSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001168709653 1090968677 /nfs/dbraw/zinc/96/86/77/1090968677.db2.gz UUAPRUBIIYXFJW-HUUCEWRRSA-N 2 2 304.865 3.414 20 0 DGADLP CCc1ccc(C)[nH+]c1Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001204475397 1090977458 /nfs/dbraw/zinc/97/74/58/1090977458.db2.gz FEIBKPIOQUJULD-UHFFFAOYSA-N 2 2 324.472 3.443 20 0 DGADLP Cc1cc(C)cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001204521798 1090990743 /nfs/dbraw/zinc/99/07/43/1090990743.db2.gz BKVHUWWXZRJNJN-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP CCCCCCOc1ccccc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756334 1091031519 /nfs/dbraw/zinc/03/15/19/1091031519.db2.gz NLKFROFHSJVUGZ-SFHVURJKSA-N 2 2 320.477 3.195 20 0 DGADLP CCCCCCOc1ccccc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204756334 1091031527 /nfs/dbraw/zinc/03/15/27/1091031527.db2.gz NLKFROFHSJVUGZ-SFHVURJKSA-N 2 2 320.477 3.195 20 0 DGADLP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904285 1091059584 /nfs/dbraw/zinc/05/95/84/1091059584.db2.gz NKHDCZMIDNUVGV-LJQANCHMSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904285 1091059588 /nfs/dbraw/zinc/05/95/88/1091059588.db2.gz NKHDCZMIDNUVGV-LJQANCHMSA-N 2 2 308.425 3.285 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204924960 1091064043 /nfs/dbraw/zinc/06/40/43/1091064043.db2.gz GULKNSPGKMLZHI-CYBMUJFWSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204924960 1091064049 /nfs/dbraw/zinc/06/40/49/1091064049.db2.gz GULKNSPGKMLZHI-CYBMUJFWSA-N 2 2 302.340 3.207 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2OC)C1 ZINC001205009363 1091082887 /nfs/dbraw/zinc/08/28/87/1091082887.db2.gz OZESMIXOZDUNCW-LBPRGKRZSA-N 2 2 316.367 3.145 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2OC)C1 ZINC001205009363 1091082894 /nfs/dbraw/zinc/08/28/94/1091082894.db2.gz OZESMIXOZDUNCW-LBPRGKRZSA-N 2 2 316.367 3.145 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC001205135909 1091110014 /nfs/dbraw/zinc/11/00/14/1091110014.db2.gz FKKCSGTXFPRRHV-VHSXEESVSA-N 2 2 317.658 3.129 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC001205135909 1091110015 /nfs/dbraw/zinc/11/00/15/1091110015.db2.gz FKKCSGTXFPRRHV-VHSXEESVSA-N 2 2 317.658 3.129 20 0 DGADLP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001205103097 1091103010 /nfs/dbraw/zinc/10/30/10/1091103010.db2.gz YUWOHTAMENYVJE-CQSZACIVSA-N 2 2 319.836 3.210 20 0 DGADLP COc1ccc2cc(C[N@H+]3CCC[C@@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001205103097 1091103015 /nfs/dbraw/zinc/10/30/15/1091103015.db2.gz YUWOHTAMENYVJE-CQSZACIVSA-N 2 2 319.836 3.210 20 0 DGADLP COc1ccc2nc(Cl)c(C[N@@H+]3CCC[C@H]([NH3+])CC3)cc2c1 ZINC001205110131 1091104966 /nfs/dbraw/zinc/10/49/66/1091104966.db2.gz PHLNHRUUJNTYBG-AWEZNQCLSA-N 2 2 319.836 3.210 20 0 DGADLP COc1ccc2nc(Cl)c(C[N@H+]3CCC[C@H]([NH3+])CC3)cc2c1 ZINC001205110131 1091104970 /nfs/dbraw/zinc/10/49/70/1091104970.db2.gz PHLNHRUUJNTYBG-AWEZNQCLSA-N 2 2 319.836 3.210 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2Cl)C[C@H]1C[NH3+] ZINC001205136092 1091109905 /nfs/dbraw/zinc/10/99/05/1091109905.db2.gz NCBHONPSJRGSKH-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)C[C@H]1C[NH3+] ZINC001205136092 1091109908 /nfs/dbraw/zinc/10/99/08/1091109908.db2.gz NCBHONPSJRGSKH-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP CC(C)Oc1c(F)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205156457 1091114477 /nfs/dbraw/zinc/11/44/77/1091114477.db2.gz XJYZOCHIZMNHEX-WCQYABFASA-N 2 2 314.832 3.293 20 0 DGADLP CC(C)Oc1c(F)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205156457 1091114479 /nfs/dbraw/zinc/11/44/79/1091114479.db2.gz XJYZOCHIZMNHEX-WCQYABFASA-N 2 2 314.832 3.293 20 0 DGADLP CC(C)[N@H+](Cc1cc2c(cc1Cl)OCO2)C1CC[NH+](C)CC1 ZINC001138246240 1091124653 /nfs/dbraw/zinc/12/46/53/1091124653.db2.gz LDHMKTSJNUVEPB-UHFFFAOYSA-N 2 2 324.852 3.373 20 0 DGADLP CC(C)[N@@H+](Cc1cc2c(cc1Cl)OCO2)C1CC[NH+](C)CC1 ZINC001138246240 1091124656 /nfs/dbraw/zinc/12/46/56/1091124656.db2.gz LDHMKTSJNUVEPB-UHFFFAOYSA-N 2 2 324.852 3.373 20 0 DGADLP COc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138387333 1091163533 /nfs/dbraw/zinc/16/35/33/1091163533.db2.gz BQDDOFRRKANXQU-CQSZACIVSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cccc(F)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001138387333 1091163539 /nfs/dbraw/zinc/16/35/39/1091163539.db2.gz BQDDOFRRKANXQU-CQSZACIVSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303806 1091175149 /nfs/dbraw/zinc/17/51/49/1091175149.db2.gz KSURYKCAHVUGFH-WCQYABFASA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303806 1091175151 /nfs/dbraw/zinc/17/51/51/1091175151.db2.gz KSURYKCAHVUGFH-WCQYABFASA-N 2 2 316.367 3.131 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001205331112 1091188558 /nfs/dbraw/zinc/18/85/58/1091188558.db2.gz DVNXWMVTBCEQGA-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001205331112 1091188561 /nfs/dbraw/zinc/18/85/61/1091188561.db2.gz DVNXWMVTBCEQGA-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c2ccccc12 ZINC001205340614 1091193356 /nfs/dbraw/zinc/19/33/56/1091193356.db2.gz XKRZMMKMRKLFIF-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CC[NH2+]CC[C@@H]2C)c2ccccc12 ZINC001205340614 1091193360 /nfs/dbraw/zinc/19/33/60/1091193360.db2.gz XKRZMMKMRKLFIF-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)C[C@H]2C1 ZINC001138532426 1091220041 /nfs/dbraw/zinc/22/00/41/1091220041.db2.gz QBNMMJGGTCVOPT-HZPDHXFCSA-N 2 2 313.470 3.194 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3ncccc3C2)cc1 ZINC001138547522 1091225134 /nfs/dbraw/zinc/22/51/34/1091225134.db2.gz NYUHMGVFALDVAW-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3ncccc3C2)cc1 ZINC001138547522 1091225142 /nfs/dbraw/zinc/22/51/42/1091225142.db2.gz NYUHMGVFALDVAW-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP C/C(=C/c1cccnc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001293588768 1091261469 /nfs/dbraw/zinc/26/14/69/1091261469.db2.gz FGUZETVBHKBJAP-RAXLEYEMSA-N 2 2 319.368 3.013 20 0 DGADLP Fc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1-n1cc[nH+]c1 ZINC001205600148 1091274409 /nfs/dbraw/zinc/27/44/09/1091274409.db2.gz ITDOIAKPFHVXIA-UHFFFAOYSA-N 2 2 322.387 3.088 20 0 DGADLP Clc1[nH]c2ccccc2c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001138688809 1091289933 /nfs/dbraw/zinc/28/99/33/1091289933.db2.gz JXLUCXPGYLONRN-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1[nH]c2ccccc2c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001138688809 1091289943 /nfs/dbraw/zinc/28/99/43/1091289943.db2.gz JXLUCXPGYLONRN-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cnc2[nH]ccc2c1 ZINC001138740028 1091308805 /nfs/dbraw/zinc/30/88/05/1091308805.db2.gz LAXCFZPIVRRQRK-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cnc2[nH]ccc2c1 ZINC001138740028 1091308816 /nfs/dbraw/zinc/30/88/16/1091308816.db2.gz LAXCFZPIVRRQRK-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP Cc1cccnc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001205780670 1091344805 /nfs/dbraw/zinc/34/48/05/1091344805.db2.gz SOEKSTPWPJESCU-HZPDHXFCSA-N 2 2 313.470 3.015 20 0 DGADLP CCSc1ccccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205794830 1091351333 /nfs/dbraw/zinc/35/13/33/1091351333.db2.gz BRBZJFCGVLPHQB-CYBMUJFWSA-N 2 2 300.418 3.215 20 0 DGADLP CCSc1ccccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205794830 1091351346 /nfs/dbraw/zinc/35/13/46/1091351346.db2.gz BRBZJFCGVLPHQB-CYBMUJFWSA-N 2 2 300.418 3.215 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836128 1091351404 /nfs/dbraw/zinc/35/14/04/1091351404.db2.gz DKOKLCLVSYNLMN-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836128 1091351415 /nfs/dbraw/zinc/35/14/15/1091351415.db2.gz DKOKLCLVSYNLMN-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836128 1091351427 /nfs/dbraw/zinc/35/14/27/1091351427.db2.gz DKOKLCLVSYNLMN-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836128 1091351438 /nfs/dbraw/zinc/35/14/38/1091351438.db2.gz DKOKLCLVSYNLMN-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP c1ccc2nc(C[N@@H+]3CCC[C@@H](Oc4cc[nH+]cc4)C3)cnc2c1 ZINC001138866274 1091360012 /nfs/dbraw/zinc/36/00/12/1091360012.db2.gz AMUXQJHMAAJDDY-QGZVFWFLSA-N 2 2 320.396 3.068 20 0 DGADLP c1ccc2nc(C[N@H+]3CCC[C@@H](Oc4cc[nH+]cc4)C3)cnc2c1 ZINC001138866274 1091360025 /nfs/dbraw/zinc/36/00/25/1091360025.db2.gz AMUXQJHMAAJDDY-QGZVFWFLSA-N 2 2 320.396 3.068 20 0 DGADLP CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001138882061 1091363855 /nfs/dbraw/zinc/36/38/55/1091363855.db2.gz ICLXXLXTXRLVDT-UHFFFAOYSA-N 2 2 316.424 3.132 20 0 DGADLP CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001138882061 1091363866 /nfs/dbraw/zinc/36/38/66/1091363866.db2.gz ICLXXLXTXRLVDT-UHFFFAOYSA-N 2 2 316.424 3.132 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819836 1091366221 /nfs/dbraw/zinc/36/62/21/1091366221.db2.gz ZCWSXFHSMQEJBR-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819836 1091366232 /nfs/dbraw/zinc/36/62/32/1091366232.db2.gz ZCWSXFHSMQEJBR-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826947 1091367341 /nfs/dbraw/zinc/36/73/41/1091367341.db2.gz DSFUEWILZNGXJU-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001205826947 1091367352 /nfs/dbraw/zinc/36/73/52/1091367352.db2.gz DSFUEWILZNGXJU-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205843747 1091376717 /nfs/dbraw/zinc/37/67/17/1091376717.db2.gz UNAVDYMCKJFMMY-MAUKXSAKSA-N 2 2 320.477 3.317 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205843747 1091376727 /nfs/dbraw/zinc/37/67/27/1091376727.db2.gz UNAVDYMCKJFMMY-MAUKXSAKSA-N 2 2 320.477 3.317 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205855670 1091380511 /nfs/dbraw/zinc/38/05/11/1091380511.db2.gz PAMNVZYXSWIBEH-MAUKXSAKSA-N 3 2 313.489 3.247 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205855670 1091380520 /nfs/dbraw/zinc/38/05/20/1091380520.db2.gz PAMNVZYXSWIBEH-MAUKXSAKSA-N 3 2 313.489 3.247 20 0 DGADLP CC(C)[N@H+](Cc1cnc2[nH]ccc2c1Cl)C1CC[NH+](C)CC1 ZINC001138934320 1091381704 /nfs/dbraw/zinc/38/17/04/1091381704.db2.gz AGRHWLKAICZMEZ-UHFFFAOYSA-N 2 2 320.868 3.473 20 0 DGADLP CC(C)[N@@H+](Cc1cnc2[nH]ccc2c1Cl)C1CC[NH+](C)CC1 ZINC001138934320 1091381713 /nfs/dbraw/zinc/38/17/13/1091381713.db2.gz AGRHWLKAICZMEZ-UHFFFAOYSA-N 2 2 320.868 3.473 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904665 1091402051 /nfs/dbraw/zinc/40/20/51/1091402051.db2.gz WGNFKHXJTXJSLK-NEPJUHHUSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904665 1091402057 /nfs/dbraw/zinc/40/20/57/1091402057.db2.gz WGNFKHXJTXJSLK-NEPJUHHUSA-N 2 2 302.340 3.144 20 0 DGADLP c1cc(-c2cc[nH+]c(N3CCCCC3)c2)cc(N2CC[NH2+]CC2)c1 ZINC001205908463 1091405230 /nfs/dbraw/zinc/40/52/30/1091405230.db2.gz OYOFKBWROXNHSF-UHFFFAOYSA-N 2 2 322.456 3.149 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912862 1091407304 /nfs/dbraw/zinc/40/73/04/1091407304.db2.gz DFLYYJQDFVKPLB-VXGBXAGGSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912862 1091407309 /nfs/dbraw/zinc/40/73/09/1091407309.db2.gz DFLYYJQDFVKPLB-VXGBXAGGSA-N 2 2 316.367 3.273 20 0 DGADLP CCCOc1ccccc1C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001138998817 1091411638 /nfs/dbraw/zinc/41/16/38/1091411638.db2.gz QINSZDYKVVQROO-ROUUACIJSA-N 2 2 302.462 3.249 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205939901 1091424130 /nfs/dbraw/zinc/42/41/30/1091424130.db2.gz VTHYIZWGDQPYDK-MRXNPFEDSA-N 2 2 315.461 3.226 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205939901 1091424138 /nfs/dbraw/zinc/42/41/38/1091424138.db2.gz VTHYIZWGDQPYDK-MRXNPFEDSA-N 2 2 315.461 3.226 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C(C)(C)C)c1 ZINC001205953443 1091427621 /nfs/dbraw/zinc/42/76/21/1091427621.db2.gz ZMYMMLVOTRHQOI-QZTJIDSGSA-N 2 2 318.505 3.176 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C(C)(C)C)c1 ZINC001205953443 1091427626 /nfs/dbraw/zinc/42/76/26/1091427626.db2.gz ZMYMMLVOTRHQOI-QZTJIDSGSA-N 2 2 318.505 3.176 20 0 DGADLP [NH3+]C1([C@@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@H]2CF)CC1 ZINC001165429245 1091427794 /nfs/dbraw/zinc/42/77/94/1091427794.db2.gz IIZZBEIEKYPHFP-IAGOWNOFSA-N 2 2 311.404 3.262 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC001139055254 1091432380 /nfs/dbraw/zinc/43/23/80/1091432380.db2.gz JWLGDTFAQGFHPL-HDICACEKSA-N 2 2 308.425 3.472 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC001139055254 1091432387 /nfs/dbraw/zinc/43/23/87/1091432387.db2.gz JWLGDTFAQGFHPL-HDICACEKSA-N 2 2 308.425 3.472 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC001139055254 1091432398 /nfs/dbraw/zinc/43/23/98/1091432398.db2.gz JWLGDTFAQGFHPL-HDICACEKSA-N 2 2 308.425 3.472 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC001139055254 1091432402 /nfs/dbraw/zinc/43/24/02/1091432402.db2.gz JWLGDTFAQGFHPL-HDICACEKSA-N 2 2 308.425 3.472 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139061350 1091432509 /nfs/dbraw/zinc/43/25/09/1091432509.db2.gz BHRSNMNMGNDUIP-IRXDYDNUSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139061350 1091432513 /nfs/dbraw/zinc/43/25/13/1091432513.db2.gz BHRSNMNMGNDUIP-IRXDYDNUSA-N 2 2 302.462 3.139 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(O)cc2OC)CC1 ZINC001139144580 1091464085 /nfs/dbraw/zinc/46/40/85/1091464085.db2.gz UHKXDMKDESFLOC-UHFFFAOYSA-N 2 2 306.450 3.097 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(O)cc2OC)CC1 ZINC001139144580 1091464090 /nfs/dbraw/zinc/46/40/90/1091464090.db2.gz UHKXDMKDESFLOC-UHFFFAOYSA-N 2 2 306.450 3.097 20 0 DGADLP Cn1ccc2c1cccc2C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001139158655 1091469938 /nfs/dbraw/zinc/46/99/38/1091469938.db2.gz CRFPSHYGGAWONH-UHFFFAOYSA-N 2 2 309.457 3.096 20 0 DGADLP Cn1ccc2c1cccc2C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001139158655 1091469946 /nfs/dbraw/zinc/46/99/46/1091469946.db2.gz CRFPSHYGGAWONH-UHFFFAOYSA-N 2 2 309.457 3.096 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(F)cc3)cc2)C[C@H]1[NH3+] ZINC001206070937 1091478371 /nfs/dbraw/zinc/47/83/71/1091478371.db2.gz XOFIDXWUXJMNSS-AUUYWEPGSA-N 2 2 313.420 3.373 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(F)cc3)cc2)C[C@H]1[NH3+] ZINC001206070937 1091478378 /nfs/dbraw/zinc/47/83/78/1091478378.db2.gz XOFIDXWUXJMNSS-AUUYWEPGSA-N 2 2 313.420 3.373 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247769 1091499328 /nfs/dbraw/zinc/49/93/28/1091499328.db2.gz OWASAYKIJSGFRH-HXUWFJFHSA-N 2 2 323.440 3.402 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247769 1091499344 /nfs/dbraw/zinc/49/93/44/1091499344.db2.gz OWASAYKIJSGFRH-HXUWFJFHSA-N 2 2 323.440 3.402 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247769 1091499355 /nfs/dbraw/zinc/49/93/55/1091499355.db2.gz OWASAYKIJSGFRH-HXUWFJFHSA-N 2 2 323.440 3.402 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)nc3)C2)C1 ZINC001139247769 1091499364 /nfs/dbraw/zinc/49/93/64/1091499364.db2.gz OWASAYKIJSGFRH-HXUWFJFHSA-N 2 2 323.440 3.402 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)CC[C@H]1F ZINC001206172588 1091520369 /nfs/dbraw/zinc/52/03/69/1091520369.db2.gz AWDZFFHMGQNPSF-CABCVRRESA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)CC[C@H]1F ZINC001206172588 1091520378 /nfs/dbraw/zinc/52/03/78/1091520378.db2.gz AWDZFFHMGQNPSF-CABCVRRESA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@H]1F ZINC001206172504 1091520886 /nfs/dbraw/zinc/52/08/86/1091520886.db2.gz ABUBEPHETZBGBD-IAGOWNOFSA-N 2 2 315.392 3.135 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@H]1F ZINC001206172504 1091520893 /nfs/dbraw/zinc/52/08/93/1091520893.db2.gz ABUBEPHETZBGBD-IAGOWNOFSA-N 2 2 315.392 3.135 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206175215 1091521658 /nfs/dbraw/zinc/52/16/58/1091521658.db2.gz SLLKRQOGAVBNSC-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206175215 1091521668 /nfs/dbraw/zinc/52/16/68/1091521668.db2.gz SLLKRQOGAVBNSC-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206187446 1091526259 /nfs/dbraw/zinc/52/62/59/1091526259.db2.gz TUZNOOXWGMAUCP-NEPJUHHUSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206187446 1091526269 /nfs/dbraw/zinc/52/62/69/1091526269.db2.gz TUZNOOXWGMAUCP-NEPJUHHUSA-N 2 2 321.259 3.080 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001206215041 1091537359 /nfs/dbraw/zinc/53/73/59/1091537359.db2.gz JWNPTQATXLHDRA-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001206215041 1091537365 /nfs/dbraw/zinc/53/73/65/1091537365.db2.gz JWNPTQATXLHDRA-GDAAHCPNSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+](Cc1c(Cl)ccnc1Cl)CC1CC[NH+](C)CC1 ZINC001139478088 1091569894 /nfs/dbraw/zinc/56/98/94/1091569894.db2.gz CYZHTHYMSYRVNG-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP C[N@H+](Cc1c(Cl)ccnc1Cl)CC1CC[NH+](C)CC1 ZINC001139478088 1091569905 /nfs/dbraw/zinc/56/99/05/1091569905.db2.gz CYZHTHYMSYRVNG-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2c1 ZINC001206344729 1091586542 /nfs/dbraw/zinc/58/65/42/1091586542.db2.gz XOSOGRKGEJCUJW-GOSISDBHSA-N 2 2 301.409 3.196 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)ccc2c1 ZINC001206344729 1091586549 /nfs/dbraw/zinc/58/65/49/1091586549.db2.gz XOSOGRKGEJCUJW-GOSISDBHSA-N 2 2 301.409 3.196 20 0 DGADLP CC1(C)CCc2cc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2O1 ZINC001206351641 1091591770 /nfs/dbraw/zinc/59/17/70/1091591770.db2.gz HAKNHKURVHNFJW-IBGZPJMESA-N 2 2 320.452 3.443 20 0 DGADLP CC1(C)CCc2cc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2O1 ZINC001206351641 1091591776 /nfs/dbraw/zinc/59/17/76/1091591776.db2.gz HAKNHKURVHNFJW-IBGZPJMESA-N 2 2 320.452 3.443 20 0 DGADLP Cc1cccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1OC(C)C ZINC001206362297 1091598282 /nfs/dbraw/zinc/59/82/82/1091598282.db2.gz NEYGOCWUZFEHSD-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1cccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1OC(C)C ZINC001206362297 1091598286 /nfs/dbraw/zinc/59/82/86/1091598286.db2.gz NEYGOCWUZFEHSD-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001206370245 1091603157 /nfs/dbraw/zinc/60/31/57/1091603157.db2.gz MMOYNOPRENJHPE-SFHVURJKSA-N 2 2 319.399 3.474 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001206370245 1091603163 /nfs/dbraw/zinc/60/31/63/1091603163.db2.gz MMOYNOPRENJHPE-SFHVURJKSA-N 2 2 319.399 3.474 20 0 DGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206380808 1091607136 /nfs/dbraw/zinc/60/71/36/1091607136.db2.gz SXHBXPUNLFRMRH-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206380808 1091607144 /nfs/dbraw/zinc/60/71/44/1091607144.db2.gz SXHBXPUNLFRMRH-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccnc2)cc1 ZINC001139645410 1091632771 /nfs/dbraw/zinc/63/27/71/1091632771.db2.gz HZCAKNHMUPVSIS-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-c2cccnc2)cc1 ZINC001139645410 1091632778 /nfs/dbraw/zinc/63/27/78/1091632778.db2.gz HZCAKNHMUPVSIS-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP COCC[N@H+](Cc1ccccc1C(F)F)C1CC[NH+](C)CC1 ZINC001139801008 1091673887 /nfs/dbraw/zinc/67/38/87/1091673887.db2.gz HSBAAXOBUXHISM-UHFFFAOYSA-N 2 2 312.404 3.167 20 0 DGADLP COCC[N@@H+](Cc1ccccc1C(F)F)C1CC[NH+](C)CC1 ZINC001139801008 1091673892 /nfs/dbraw/zinc/67/38/92/1091673892.db2.gz HSBAAXOBUXHISM-UHFFFAOYSA-N 2 2 312.404 3.167 20 0 DGADLP COc1ccc(F)c(F)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589996 1091681204 /nfs/dbraw/zinc/68/12/04/1091681204.db2.gz KDJNOMIGEVIQPG-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP COc1ccc(F)c(F)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589996 1091681210 /nfs/dbraw/zinc/68/12/10/1091681210.db2.gz KDJNOMIGEVIQPG-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001206624237 1091693481 /nfs/dbraw/zinc/69/34/81/1091693481.db2.gz RJQMOCVNKNWRCD-SNVBAGLBSA-N 2 2 303.233 3.260 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001206624237 1091693484 /nfs/dbraw/zinc/69/34/84/1091693484.db2.gz RJQMOCVNKNWRCD-SNVBAGLBSA-N 2 2 303.233 3.260 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934115 1091718317 /nfs/dbraw/zinc/71/83/17/1091718317.db2.gz DLHCDRZZVYOYGX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934115 1091718321 /nfs/dbraw/zinc/71/83/21/1091718321.db2.gz DLHCDRZZVYOYGX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934115 1091718327 /nfs/dbraw/zinc/71/83/27/1091718327.db2.gz DLHCDRZZVYOYGX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934115 1091718332 /nfs/dbraw/zinc/71/83/32/1091718332.db2.gz DLHCDRZZVYOYGX-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001206744079 1091720398 /nfs/dbraw/zinc/72/03/98/1091720398.db2.gz QMDULNLLXBBSJH-UHFFFAOYSA-N 2 2 307.401 3.444 20 0 DGADLP Cn1ncc2cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)ccc21 ZINC001139948673 1091720782 /nfs/dbraw/zinc/72/07/82/1091720782.db2.gz KBGXKUOYKJVARK-UHFFFAOYSA-N 2 2 322.412 3.012 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206769722 1091731633 /nfs/dbraw/zinc/73/16/33/1091731633.db2.gz PTABZNZAJMKKAJ-NEPJUHHUSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206769722 1091731637 /nfs/dbraw/zinc/73/16/37/1091731637.db2.gz PTABZNZAJMKKAJ-NEPJUHHUSA-N 2 2 316.367 3.273 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(N)[nH+]1 ZINC001276492818 1091740599 /nfs/dbraw/zinc/74/05/99/1091740599.db2.gz NRVCZIUUJVTAER-NXHRZFHOSA-N 2 2 316.493 3.139 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(N)[nH+]1 ZINC001276492818 1091740607 /nfs/dbraw/zinc/74/06/07/1091740607.db2.gz NRVCZIUUJVTAER-NXHRZFHOSA-N 2 2 316.493 3.139 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140021540 1091741014 /nfs/dbraw/zinc/74/10/14/1091741014.db2.gz NSYNIQCGYGMHMM-APWZRJJASA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140021540 1091741018 /nfs/dbraw/zinc/74/10/18/1091741018.db2.gz NSYNIQCGYGMHMM-APWZRJJASA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140021542 1091741124 /nfs/dbraw/zinc/74/11/24/1091741124.db2.gz NSYNIQCGYGMHMM-QFBILLFUSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140021542 1091741127 /nfs/dbraw/zinc/74/11/27/1091741127.db2.gz NSYNIQCGYGMHMM-QFBILLFUSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001140022495 1091741429 /nfs/dbraw/zinc/74/14/29/1091741429.db2.gz HSXLDLLRICLZSR-KXBFYZLASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001140022495 1091741438 /nfs/dbraw/zinc/74/14/38/1091741438.db2.gz HSXLDLLRICLZSR-KXBFYZLASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCCC[C@H]3[C@H](C)C[NH+](C)C)cn2c1 ZINC001206800737 1091746336 /nfs/dbraw/zinc/74/63/36/1091746336.db2.gz MDBHXCLMWUIIAE-AEFFLSMTSA-N 2 2 314.477 3.195 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3[C@H](C)C[NH+](C)C)cn2c1 ZINC001206800737 1091746342 /nfs/dbraw/zinc/74/63/42/1091746342.db2.gz MDBHXCLMWUIIAE-AEFFLSMTSA-N 2 2 314.477 3.195 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c(C)cc1O ZINC001140201669 1091799952 /nfs/dbraw/zinc/79/99/52/1091799952.db2.gz VDQOJCSZSXBDCH-UHFFFAOYSA-N 2 2 320.452 3.407 20 0 DGADLP Cc1ncc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)s1 ZINC001207059485 1091832050 /nfs/dbraw/zinc/83/20/50/1091832050.db2.gz SOULMVUUZSZQLA-ZIAGYGMSSA-N 2 2 319.499 3.077 20 0 DGADLP C[NH+]1CCC(N(Cc2[nH+]cc3ccccn32)C2CCCC2)CC1 ZINC001207056448 1091832150 /nfs/dbraw/zinc/83/21/50/1091832150.db2.gz SGAGKIVOOJVDTJ-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3n[nH]cc3c2)C2CCCC2)CC1 ZINC001140388898 1091847854 /nfs/dbraw/zinc/84/78/54/1091847854.db2.gz HHRRSCCOQUNTAN-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3n[nH]cc3c2)C2CCCC2)CC1 ZINC001140388898 1091847859 /nfs/dbraw/zinc/84/78/59/1091847859.db2.gz HHRRSCCOQUNTAN-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP Cc1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001207155912 1091868181 /nfs/dbraw/zinc/86/81/81/1091868181.db2.gz GYZOKWVJXHGBRX-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](CCC4CCCCC4)C[C@@H]3C2)c1 ZINC001207255937 1091900461 /nfs/dbraw/zinc/90/04/61/1091900461.db2.gz CAJHLHTUBHXAOS-WOJBJXKFSA-N 2 2 313.489 3.416 20 0 DGADLP COc1ccccc1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001207453911 1091972992 /nfs/dbraw/zinc/97/29/92/1091972992.db2.gz QRNXWMAGMRPRCA-UHFFFAOYSA-N 2 2 302.462 3.188 20 0 DGADLP Cc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(Cl)c1 ZINC001140798535 1092005789 /nfs/dbraw/zinc/00/57/89/1092005789.db2.gz MVEKROQCGYPAFR-UHFFFAOYSA-N 2 2 321.852 3.278 20 0 DGADLP c1cnc(-c2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2)nc1 ZINC001140976441 1092090810 /nfs/dbraw/zinc/09/08/10/1092090810.db2.gz PDXQVVOVAVLMTH-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC001207822740 1092109261 /nfs/dbraw/zinc/10/92/61/1092109261.db2.gz DFUBDHUVTOEIPX-INIZCTEOSA-N 2 2 311.429 3.166 20 0 DGADLP C[C@H](C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904405 1092134000 /nfs/dbraw/zinc/13/40/00/1092134000.db2.gz DIMLSJZCJOOVTE-HOJAQTOUSA-N 2 2 321.468 3.249 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](CCCC4CCCC4)C[C@@H]3C2)nc1 ZINC001208088491 1092193643 /nfs/dbraw/zinc/19/36/43/1092193643.db2.gz HARNYFIAPYSZSI-RTBURBONSA-N 2 2 313.489 3.416 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208109058 1092198509 /nfs/dbraw/zinc/19/85/09/1092198509.db2.gz KZFMGRKTBFSISO-QGZVFWFLSA-N 2 2 324.415 3.070 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208109058 1092198513 /nfs/dbraw/zinc/19/85/13/1092198513.db2.gz KZFMGRKTBFSISO-QGZVFWFLSA-N 2 2 324.415 3.070 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3coc4ccc(F)cc34)C[C@@H]2C1 ZINC001141856356 1092349355 /nfs/dbraw/zinc/34/93/55/1092349355.db2.gz CJZBEYHQLGOPHM-KBPBESRZSA-N 2 2 302.393 3.346 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCCCCc3ccccn3)c2)C1 ZINC001168802882 1092372567 /nfs/dbraw/zinc/37/25/67/1092372567.db2.gz NNFAUTHXTLHCOW-GOSISDBHSA-N 2 2 324.472 3.049 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCCCCc3ccccn3)c2)C1 ZINC001168802882 1092372578 /nfs/dbraw/zinc/37/25/78/1092372578.db2.gz NNFAUTHXTLHCOW-GOSISDBHSA-N 2 2 324.472 3.049 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604617 1092422112 /nfs/dbraw/zinc/42/21/12/1092422112.db2.gz RBDYTQRYLSMUOX-XLIONFOSSA-N 2 2 309.457 3.235 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604617 1092422116 /nfs/dbraw/zinc/42/21/16/1092422116.db2.gz RBDYTQRYLSMUOX-XLIONFOSSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604617 1092422120 /nfs/dbraw/zinc/42/21/20/1092422120.db2.gz RBDYTQRYLSMUOX-XLIONFOSSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001208604617 1092422126 /nfs/dbraw/zinc/42/21/26/1092422126.db2.gz RBDYTQRYLSMUOX-XLIONFOSSA-N 2 2 309.457 3.235 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1F)C2 ZINC001169100334 1092527944 /nfs/dbraw/zinc/52/79/44/1092527944.db2.gz JHLLUSVKHYKLRM-ZSBIGDGJSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1F)C2 ZINC001169100334 1092527957 /nfs/dbraw/zinc/52/79/57/1092527957.db2.gz JHLLUSVKHYKLRM-ZSBIGDGJSA-N 2 2 300.780 3.333 20 0 DGADLP COc1ccccc1CCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001208837074 1092536551 /nfs/dbraw/zinc/53/65/51/1092536551.db2.gz ATFKVWKVQMQQCF-UHFFFAOYSA-N 2 2 314.473 3.046 20 0 DGADLP COc1ccccc1CCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001208837074 1092536562 /nfs/dbraw/zinc/53/65/62/1092536562.db2.gz ATFKVWKVQMQQCF-UHFFFAOYSA-N 2 2 314.473 3.046 20 0 DGADLP CC1(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CCCCC1 ZINC001208900948 1092576441 /nfs/dbraw/zinc/57/64/41/1092576441.db2.gz WILSANOSETVADU-ROUUACIJSA-N 2 2 313.489 3.416 20 0 DGADLP F[C@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933333 1092595307 /nfs/dbraw/zinc/59/53/07/1092595307.db2.gz DOTFEQSSJOOLPW-VJANTYMQSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933333 1092595316 /nfs/dbraw/zinc/59/53/16/1092595316.db2.gz DOTFEQSSJOOLPW-VJANTYMQSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933333 1092595324 /nfs/dbraw/zinc/59/53/24/1092595324.db2.gz DOTFEQSSJOOLPW-VJANTYMQSA-N 2 2 302.437 3.188 20 0 DGADLP F[C@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933333 1092595332 /nfs/dbraw/zinc/59/53/32/1092595332.db2.gz DOTFEQSSJOOLPW-VJANTYMQSA-N 2 2 302.437 3.188 20 0 DGADLP C[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933868 1092596922 /nfs/dbraw/zinc/59/69/22/1092596922.db2.gz WPJDRZAOYHGLBA-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+](Cc1ccccn1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933868 1092596934 /nfs/dbraw/zinc/59/69/34/1092596934.db2.gz WPJDRZAOYHGLBA-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1ccccn1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933868 1092596941 /nfs/dbraw/zinc/59/69/41/1092596941.db2.gz WPJDRZAOYHGLBA-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1ccccn1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933868 1092596947 /nfs/dbraw/zinc/59/69/47/1092596947.db2.gz WPJDRZAOYHGLBA-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCc4cnccc4C3)C2)cc1 ZINC001208933475 1092598139 /nfs/dbraw/zinc/59/81/39/1092598139.db2.gz VVURDTNKLBLZFV-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCc4cnccc4C3)C2)cc1 ZINC001208933475 1092598145 /nfs/dbraw/zinc/59/81/45/1092598145.db2.gz VVURDTNKLBLZFV-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCc4cnccc4C3)C2)cc1 ZINC001208933475 1092598149 /nfs/dbraw/zinc/59/81/49/1092598149.db2.gz VVURDTNKLBLZFV-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCc4cnccc4C3)C2)cc1 ZINC001208933475 1092598156 /nfs/dbraw/zinc/59/81/56/1092598156.db2.gz VVURDTNKLBLZFV-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001169224660 1092600548 /nfs/dbraw/zinc/60/05/48/1092600548.db2.gz JCZUEPFTJMPFIZ-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC(C)[C@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946299 1092605577 /nfs/dbraw/zinc/60/55/77/1092605577.db2.gz UMOIBRNEXGNMRP-WOJBJXKFSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946299 1092605582 /nfs/dbraw/zinc/60/55/82/1092605582.db2.gz UMOIBRNEXGNMRP-WOJBJXKFSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001208946299 1092605585 /nfs/dbraw/zinc/60/55/85/1092605585.db2.gz UMOIBRNEXGNMRP-WOJBJXKFSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001208946299 1092605589 /nfs/dbraw/zinc/60/55/89/1092605589.db2.gz UMOIBRNEXGNMRP-WOJBJXKFSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946453 1092606916 /nfs/dbraw/zinc/60/69/16/1092606916.db2.gz VUTNCTRPPWFBRW-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946453 1092606919 /nfs/dbraw/zinc/60/69/19/1092606919.db2.gz VUTNCTRPPWFBRW-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946453 1092606925 /nfs/dbraw/zinc/60/69/25/1092606925.db2.gz VUTNCTRPPWFBRW-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946453 1092606929 /nfs/dbraw/zinc/60/69/29/1092606929.db2.gz VUTNCTRPPWFBRW-SCTDSRPQSA-N 2 2 302.462 3.008 20 0 DGADLP CC1CCC([NH+]2CCN(Cc3ccc4[nH+]ccn4c3)CC2)CC1 ZINC001143029097 1092607626 /nfs/dbraw/zinc/60/76/26/1092607626.db2.gz QGMXLONVKOVWDP-UHFFFAOYSA-N 2 2 312.461 3.031 20 0 DGADLP CC[NH+]1CCC([NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC001169247077 1092615226 /nfs/dbraw/zinc/61/52/26/1092615226.db2.gz YNJCXVGAANOGFP-UHFFFAOYSA-N 2 2 321.896 3.255 20 0 DGADLP COc1cc(C)cc(OC)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001143145315 1092623089 /nfs/dbraw/zinc/62/30/89/1092623089.db2.gz XAWWCGMDBYDMNL-UHFFFAOYSA-N 2 2 315.417 3.046 20 0 DGADLP Cc1nnc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)s1 ZINC001276610133 1092631416 /nfs/dbraw/zinc/63/14/16/1092631416.db2.gz NXGJVMBKJFTGAH-UHFFFAOYSA-N 2 2 320.506 3.077 20 0 DGADLP Cc1nnc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)s1 ZINC001276610133 1092631422 /nfs/dbraw/zinc/63/14/22/1092631422.db2.gz NXGJVMBKJFTGAH-UHFFFAOYSA-N 2 2 320.506 3.077 20 0 DGADLP c1cn(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCCC2)c[nH+]1 ZINC001276647070 1092796298 /nfs/dbraw/zinc/79/62/98/1092796298.db2.gz WTQVQJKEEYFQFP-KDURUIRLSA-N 2 2 316.493 3.002 20 0 DGADLP c1cn(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CCCCC2)c[nH+]1 ZINC001276647070 1092796307 /nfs/dbraw/zinc/79/63/07/1092796307.db2.gz WTQVQJKEEYFQFP-KDURUIRLSA-N 2 2 316.493 3.002 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@H]2C1 ZINC001209727980 1092894461 /nfs/dbraw/zinc/89/44/61/1092894461.db2.gz PBIQPYJVJHHWJG-ZIAGYGMSSA-N 2 2 303.837 3.205 20 0 DGADLP C[NH+]1CCN(c2cncc(Nc3ccc4c[nH+]ccc4c3)c2)CC1 ZINC001210047152 1093026816 /nfs/dbraw/zinc/02/68/16/1093026816.db2.gz NYVQOQHYVMWJEN-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[NH2+]1 ZINC001210499692 1093189090 /nfs/dbraw/zinc/18/90/90/1093189090.db2.gz VSZRXZHDWPXVAA-LLVKDONJSA-N 2 2 320.330 3.107 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC[NH2+]1 ZINC001210499692 1093189094 /nfs/dbraw/zinc/18/90/94/1093189094.db2.gz VSZRXZHDWPXVAA-LLVKDONJSA-N 2 2 320.330 3.107 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)c2c1 ZINC001210519647 1093195860 /nfs/dbraw/zinc/19/58/60/1093195860.db2.gz QNJBDVMYRRPSPL-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CC[NH2+][C@H](C)CC3)c2c1 ZINC001210519647 1093195863 /nfs/dbraw/zinc/19/58/63/1093195863.db2.gz QNJBDVMYRRPSPL-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP COc1cc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc2c1NC(C)(C)C=C2 ZINC001210519268 1093196010 /nfs/dbraw/zinc/19/60/10/1093196010.db2.gz NRRCEXYWNJCDSQ-CQSZACIVSA-N 2 2 315.461 3.096 20 0 DGADLP COc1cc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc2c1NC(C)(C)C=C2 ZINC001210519268 1093196014 /nfs/dbraw/zinc/19/60/14/1093196014.db2.gz NRRCEXYWNJCDSQ-CQSZACIVSA-N 2 2 315.461 3.096 20 0 DGADLP COC(=O)c1cccc2[nH+]cc(Nc3ccc4[nH]c(C)[nH+]c4c3)n21 ZINC001213072442 1093510658 /nfs/dbraw/zinc/51/06/58/1093510658.db2.gz UANUIQQPMZRFPE-UHFFFAOYSA-N 2 2 321.340 3.049 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001213494512 1093596080 /nfs/dbraw/zinc/59/60/80/1093596080.db2.gz ARUMQOPUVNYKRI-UHFFFAOYSA-N 2 2 311.433 3.474 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](CC(=O)OCC)CC2 ZINC001276703006 1093612688 /nfs/dbraw/zinc/61/26/88/1093612688.db2.gz AEZIXSAUIXSZBY-QGZVFWFLSA-N 2 2 324.509 3.164 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CC(c1ccccc1)c1ccccc1)C2 ZINC001276733995 1094110095 /nfs/dbraw/zinc/11/00/95/1094110095.db2.gz OZVJYOURYVNJKR-XLIONFOSSA-N 2 2 306.453 3.454 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CC(c1ccccc1)c1ccccc1)C2 ZINC001276733995 1094110099 /nfs/dbraw/zinc/11/00/99/1094110099.db2.gz OZVJYOURYVNJKR-XLIONFOSSA-N 2 2 306.453 3.454 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001276733995 1094110103 /nfs/dbraw/zinc/11/01/03/1094110103.db2.gz OZVJYOURYVNJKR-XLIONFOSSA-N 2 2 306.453 3.454 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC001276733995 1094110105 /nfs/dbraw/zinc/11/01/05/1094110105.db2.gz OZVJYOURYVNJKR-XLIONFOSSA-N 2 2 306.453 3.454 20 0 DGADLP CC(=O)Nc1cc(Nc2c[nH+]cn2Cc2ccccc2)cc[nH+]1 ZINC001216549724 1094215737 /nfs/dbraw/zinc/21/57/37/1094215737.db2.gz QUCCMPKXVHAQMD-UHFFFAOYSA-N 2 2 307.357 3.028 20 0 DGADLP Cc1ccc2[nH+]c(N)n(-c3c[nH+]cn3Cc3ccccc3)c2c1 ZINC001216550298 1094216436 /nfs/dbraw/zinc/21/64/36/1094216436.db2.gz UWPJRCOHICGBPH-UHFFFAOYSA-N 2 2 303.369 3.161 20 0 DGADLP C[C@@]1(Br)C[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001120065766 1094369607 /nfs/dbraw/zinc/36/96/07/1094369607.db2.gz STOVYQVTZPSCHD-IUODEOHRSA-N 2 2 324.266 3.131 20 0 DGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOCC1 ZINC001170810148 1094497618 /nfs/dbraw/zinc/49/76/18/1094497618.db2.gz XIXVRQWTMWVUCS-SFHVURJKSA-N 2 2 302.462 3.152 20 0 DGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOCC1 ZINC001170810148 1094497622 /nfs/dbraw/zinc/49/76/22/1094497622.db2.gz XIXVRQWTMWVUCS-SFHVURJKSA-N 2 2 302.462 3.152 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001120924491 1094556455 /nfs/dbraw/zinc/55/64/55/1094556455.db2.gz TVVNXIYMSAQIQO-UHFFFAOYSA-N 2 2 307.401 3.049 20 0 DGADLP FC1(F)C[NH2+]CC[C@@H]1Oc1cccc(C[NH+]2CCCCC2)c1 ZINC001218009116 1094557396 /nfs/dbraw/zinc/55/73/96/1094557396.db2.gz FMACIMISTRSTRO-INIZCTEOSA-N 2 2 310.388 3.049 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1 ZINC001336805733 1094744856 /nfs/dbraw/zinc/74/48/56/1094744856.db2.gz XQJCIQYRYVCCIP-WBVHZDCISA-N 2 2 314.420 3.065 20 0 DGADLP CN(C)c1[nH+]ccc2c1CN(c1cc[nH+]c3cc(F)ccc31)CC2 ZINC001336820655 1094749459 /nfs/dbraw/zinc/74/94/59/1094749459.db2.gz ZPCPMDNZNCSRMO-UHFFFAOYSA-N 2 2 322.387 3.398 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(F)c3ccccc23)cc1 ZINC001219260636 1094955161 /nfs/dbraw/zinc/95/51/61/1094955161.db2.gz RZCQBKPXEWLHIC-QGZVFWFLSA-N 2 2 323.371 3.190 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CC[NH2+]1 ZINC001246074050 1094992560 /nfs/dbraw/zinc/99/25/60/1094992560.db2.gz ALUBKTFHJVVDJX-QWHCGFSZSA-N 2 2 315.230 3.208 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C)C1 ZINC000313669626 1095016666 /nfs/dbraw/zinc/01/66/66/1095016666.db2.gz AXRAWJWSSJQWQI-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2C)C1 ZINC000313669626 1095016680 /nfs/dbraw/zinc/01/66/80/1095016680.db2.gz AXRAWJWSSJQWQI-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001170967871 1095046311 /nfs/dbraw/zinc/04/63/11/1095046311.db2.gz BNELLLNFWDHVEU-SJORKVTESA-N 2 2 302.437 3.147 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001170967871 1095046325 /nfs/dbraw/zinc/04/63/25/1095046325.db2.gz BNELLLNFWDHVEU-SJORKVTESA-N 2 2 302.437 3.147 20 0 DGADLP CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220298566 1095079062 /nfs/dbraw/zinc/07/90/62/1095079062.db2.gz QETPCWANJACVAR-OTMARIDSSA-N 2 2 315.461 3.068 20 0 DGADLP COc1ncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1C ZINC001137010020 1095284899 /nfs/dbraw/zinc/28/48/99/1095284899.db2.gz ZXRAAWZSCNFFAJ-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP COc1ncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1C ZINC001137010020 1095284907 /nfs/dbraw/zinc/28/49/07/1095284907.db2.gz ZXRAAWZSCNFFAJ-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP CCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640708 1095314985 /nfs/dbraw/zinc/31/49/85/1095314985.db2.gz JCNUHUYTWHGGKW-UHFFFAOYSA-N 2 2 317.477 3.439 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143854272 1095411279 /nfs/dbraw/zinc/41/12/79/1095411279.db2.gz RYMXGGXOJHAJMV-UHFFFAOYSA-N 2 2 302.821 3.261 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)c(Cl)c1 ZINC001143854272 1095411283 /nfs/dbraw/zinc/41/12/83/1095411283.db2.gz RYMXGGXOJHAJMV-UHFFFAOYSA-N 2 2 302.821 3.261 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001143939720 1095441822 /nfs/dbraw/zinc/44/18/22/1095441822.db2.gz NQSKAAGOZCESGS-AWEZNQCLSA-N 2 2 314.433 3.286 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222153969 1095461588 /nfs/dbraw/zinc/46/15/88/1095461588.db2.gz DRKQUDADRPUHBA-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222153969 1095461589 /nfs/dbraw/zinc/46/15/89/1095461589.db2.gz DRKQUDADRPUHBA-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154662 1095463368 /nfs/dbraw/zinc/46/33/68/1095463368.db2.gz PBZDYEHSQUBZAU-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154662 1095463369 /nfs/dbraw/zinc/46/33/69/1095463369.db2.gz PBZDYEHSQUBZAU-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162112 1095468961 /nfs/dbraw/zinc/46/89/61/1095468961.db2.gz YNDMPDNYYKOYPO-IBGZPJMESA-N 3 2 307.526 3.108 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162112 1095468969 /nfs/dbraw/zinc/46/89/69/1095468969.db2.gz YNDMPDNYYKOYPO-IBGZPJMESA-N 3 2 307.526 3.108 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(F)cc1F ZINC001339061374 1095483325 /nfs/dbraw/zinc/48/33/25/1095483325.db2.gz BDRDSRXRYNBJTQ-UHFFFAOYSA-N 2 2 314.295 3.106 20 0 DGADLP CCOc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC001116327607 1095516447 /nfs/dbraw/zinc/51/64/47/1095516447.db2.gz WPBLVZFQNRPQDN-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC001116327607 1095516457 /nfs/dbraw/zinc/51/64/57/1095516457.db2.gz WPBLVZFQNRPQDN-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001116327607 1095516468 /nfs/dbraw/zinc/51/64/68/1095516468.db2.gz WPBLVZFQNRPQDN-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC001116327607 1095516480 /nfs/dbraw/zinc/51/64/80/1095516480.db2.gz WPBLVZFQNRPQDN-SFHVURJKSA-N 2 2 302.462 3.318 20 0 DGADLP Clc1ccc2n[nH]c(C[N@@H+]3CCC[C@@]34CCC[NH2+]CC4)c2c1 ZINC001222310877 1095544113 /nfs/dbraw/zinc/54/41/13/1095544113.db2.gz XINZIONXJWQHCR-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2n[nH]c(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c2c1 ZINC001222310877 1095544125 /nfs/dbraw/zinc/54/41/25/1095544125.db2.gz XINZIONXJWQHCR-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2[nH]nc(C[N@@H+]3CCC[C@@]34CCC[NH2+]CC4)c2c1 ZINC001222310877 1095544136 /nfs/dbraw/zinc/54/41/36/1095544136.db2.gz XINZIONXJWQHCR-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2[nH]nc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)c2c1 ZINC001222310877 1095544149 /nfs/dbraw/zinc/54/41/49/1095544149.db2.gz XINZIONXJWQHCR-QGZVFWFLSA-N 2 2 318.852 3.324 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH]1 ZINC001116440344 1095551242 /nfs/dbraw/zinc/55/12/42/1095551242.db2.gz QTNMKCVCKGROOR-KRWDZBQOSA-N 2 2 310.445 3.390 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH]1 ZINC001116440344 1095551255 /nfs/dbraw/zinc/55/12/55/1095551255.db2.gz QTNMKCVCKGROOR-KRWDZBQOSA-N 2 2 310.445 3.390 20 0 DGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150570 1095558187 /nfs/dbraw/zinc/55/81/87/1095558187.db2.gz CBWIKOURKUSERU-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150570 1095558194 /nfs/dbraw/zinc/55/81/94/1095558194.db2.gz CBWIKOURKUSERU-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP CC(=O)c1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001339309399 1095582881 /nfs/dbraw/zinc/58/28/81/1095582881.db2.gz YTADZZRAOZTHRK-UHFFFAOYSA-N 2 2 320.352 3.031 20 0 DGADLP COc1cccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222396272 1095593250 /nfs/dbraw/zinc/59/32/50/1095593250.db2.gz QCRJOLISICKGGO-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP COc1cccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222396272 1095593263 /nfs/dbraw/zinc/59/32/63/1095593263.db2.gz QCRJOLISICKGGO-LJQANCHMSA-N 2 2 313.445 3.285 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC001116583291 1095607515 /nfs/dbraw/zinc/60/75/15/1095607515.db2.gz GZTAUXJUADKYLX-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001116583291 1095607519 /nfs/dbraw/zinc/60/75/19/1095607519.db2.gz GZTAUXJUADKYLX-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)nc1 ZINC001222427200 1095608664 /nfs/dbraw/zinc/60/86/64/1095608664.db2.gz NXRWXAZEQKAQKV-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)nc1 ZINC001222427200 1095608666 /nfs/dbraw/zinc/60/86/66/1095608666.db2.gz NXRWXAZEQKAQKV-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)ccn1 ZINC001222428068 1095608990 /nfs/dbraw/zinc/60/89/90/1095608990.db2.gz YVLNSBBUFDOTNU-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)ccn1 ZINC001222428068 1095608994 /nfs/dbraw/zinc/60/89/94/1095608994.db2.gz YVLNSBBUFDOTNU-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ccc2c(c1)C1(CN2)CC[NH+](C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001222477933 1095635654 /nfs/dbraw/zinc/63/56/54/1095635654.db2.gz VUULAEGWCCVVFV-LJQANCHMSA-N 2 2 321.468 3.454 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(-c2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001222493327 1095639387 /nfs/dbraw/zinc/63/93/87/1095639387.db2.gz MZIZNOVLOPPUTJ-UHFFFAOYSA-N 2 2 321.428 3.046 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC001116828056 1095673273 /nfs/dbraw/zinc/67/32/73/1095673273.db2.gz WPRLHEHIIYBFHL-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC001116828056 1095673282 /nfs/dbraw/zinc/67/32/82/1095673282.db2.gz WPRLHEHIIYBFHL-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cc1c(C[N@@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cccc1-c1ccccc1 ZINC001222696663 1095726299 /nfs/dbraw/zinc/72/62/99/1095726299.db2.gz DOZOCHWAGFXGCE-SFTDATJTSA-N 2 2 322.452 3.225 20 0 DGADLP Cc1c(C[N@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cccc1-c1ccccc1 ZINC001222696663 1095726311 /nfs/dbraw/zinc/72/63/11/1095726311.db2.gz DOZOCHWAGFXGCE-SFTDATJTSA-N 2 2 322.452 3.225 20 0 DGADLP Cc1ccc(C[N@@H+]2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC001340424086 1095951877 /nfs/dbraw/zinc/95/18/77/1095951877.db2.gz IZFPBSMQXFOFEU-UHFFFAOYSA-N 2 2 324.472 3.423 20 0 DGADLP Cc1ccc(C[N@H+]2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC001340424086 1095951887 /nfs/dbraw/zinc/95/18/87/1095951887.db2.gz IZFPBSMQXFOFEU-UHFFFAOYSA-N 2 2 324.472 3.423 20 0 DGADLP Cc1ccccc1N1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001276897389 1095992976 /nfs/dbraw/zinc/99/29/76/1095992976.db2.gz VKAQNWFNDRPKNL-KDURUIRLSA-N 2 2 324.472 3.040 20 0 DGADLP Cc1ccccc1N1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001276897389 1095992990 /nfs/dbraw/zinc/99/29/90/1095992990.db2.gz VKAQNWFNDRPKNL-KDURUIRLSA-N 2 2 324.472 3.040 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283144 1096091716 /nfs/dbraw/zinc/09/17/16/1096091716.db2.gz DNIMWGYHZYYCEX-KGLIPLIRSA-N 2 2 322.880 3.280 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283144 1096091728 /nfs/dbraw/zinc/09/17/28/1096091728.db2.gz DNIMWGYHZYYCEX-KGLIPLIRSA-N 2 2 322.880 3.280 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171331980 1096368115 /nfs/dbraw/zinc/36/81/15/1096368115.db2.gz BOKFVZVYWMWTNW-MRXNPFEDSA-N 2 2 308.416 3.144 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277127114 1096686428 /nfs/dbraw/zinc/68/64/28/1096686428.db2.gz AUJMISXBLJNBJK-SFHVURJKSA-N 2 2 306.425 3.060 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277127114 1096686431 /nfs/dbraw/zinc/68/64/31/1096686431.db2.gz AUJMISXBLJNBJK-SFHVURJKSA-N 2 2 306.425 3.060 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277127114 1096686436 /nfs/dbraw/zinc/68/64/36/1096686436.db2.gz AUJMISXBLJNBJK-SFHVURJKSA-N 2 2 306.425 3.060 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277127114 1096686439 /nfs/dbraw/zinc/68/64/39/1096686439.db2.gz AUJMISXBLJNBJK-SFHVURJKSA-N 2 2 306.425 3.060 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171467144 1096902473 /nfs/dbraw/zinc/90/24/73/1096902473.db2.gz POAIJNATWNJVDA-GJZGRUSLSA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171467144 1096902479 /nfs/dbraw/zinc/90/24/79/1096902479.db2.gz POAIJNATWNJVDA-GJZGRUSLSA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001171467174 1096902606 /nfs/dbraw/zinc/90/26/06/1096902606.db2.gz QGOGOIWTFORJTF-JKSUJKDBSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001171467174 1096902609 /nfs/dbraw/zinc/90/26/09/1096902609.db2.gz QGOGOIWTFORJTF-JKSUJKDBSA-N 2 2 320.427 3.429 20 0 DGADLP CC[C@@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277217006 1096944853 /nfs/dbraw/zinc/94/48/53/1096944853.db2.gz HLEFQMIXMCVXQC-ZIAGYGMSSA-N 2 2 316.449 3.097 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171774422 1096969288 /nfs/dbraw/zinc/96/92/88/1096969288.db2.gz ZMVJGZNWXPPCPX-INIZCTEOSA-N 2 2 307.372 3.268 20 0 DGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2Cc3cccc(F)c3C2)c1 ZINC001171790488 1096978880 /nfs/dbraw/zinc/97/88/80/1096978880.db2.gz MIXGJKYFRAZTKM-INIZCTEOSA-N 2 2 307.372 3.488 20 0 DGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2Cc3cccc(F)c3C2)cc1 ZINC001171790411 1096979186 /nfs/dbraw/zinc/97/91/86/1096979186.db2.gz KLYKRBWULOZQKK-MRXNPFEDSA-N 2 2 307.372 3.488 20 0 DGADLP CCOC(=O)C1(C)CCC([N@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001171957265 1097004388 /nfs/dbraw/zinc/00/43/88/1097004388.db2.gz JMYZVYWZPIIGQL-UHFFFAOYSA-N 2 2 324.509 3.303 20 0 DGADLP CCOC(=O)C1(C)CCC([N@@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001171957265 1097004394 /nfs/dbraw/zinc/00/43/94/1097004394.db2.gz JMYZVYWZPIIGQL-UHFFFAOYSA-N 2 2 324.509 3.303 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077485 1097038829 /nfs/dbraw/zinc/03/88/29/1097038829.db2.gz UJGHMOPXYJJKTI-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077485 1097038831 /nfs/dbraw/zinc/03/88/31/1097038831.db2.gz UJGHMOPXYJJKTI-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077485 1097038837 /nfs/dbraw/zinc/03/88/37/1097038837.db2.gz UJGHMOPXYJJKTI-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077485 1097038842 /nfs/dbraw/zinc/03/88/42/1097038842.db2.gz UJGHMOPXYJJKTI-RSPOEFSDSA-N 3 2 315.505 3.099 20 0 DGADLP Cn1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172065595 1097043389 /nfs/dbraw/zinc/04/33/89/1097043389.db2.gz OTFPBHNAEKELSJ-OWZKRDHZSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172065595 1097043395 /nfs/dbraw/zinc/04/33/95/1097043395.db2.gz OTFPBHNAEKELSJ-OWZKRDHZSA-N 2 2 324.472 3.095 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cccnn2)C3)cc1 ZINC001172065791 1097044286 /nfs/dbraw/zinc/04/42/86/1097044286.db2.gz QZNWKCFQVPSBQE-ACDBMABISA-N 2 2 322.456 3.152 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cccnn2)C3)cc1 ZINC001172065791 1097044293 /nfs/dbraw/zinc/04/42/93/1097044293.db2.gz QZNWKCFQVPSBQE-ACDBMABISA-N 2 2 322.456 3.152 20 0 DGADLP C[N@H+](CCC(=O)c1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127740 1097048237 /nfs/dbraw/zinc/04/82/37/1097048237.db2.gz JVPWHGUYFMUUAE-QDMKHBRRSA-N 2 2 306.475 3.268 20 0 DGADLP C[N@@H+](CCC(=O)c1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127740 1097048241 /nfs/dbraw/zinc/04/82/41/1097048241.db2.gz JVPWHGUYFMUUAE-QDMKHBRRSA-N 2 2 306.475 3.268 20 0 DGADLP C[NH+](CCC(=O)c1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127740 1097048245 /nfs/dbraw/zinc/04/82/45/1097048245.db2.gz JVPWHGUYFMUUAE-QDMKHBRRSA-N 2 2 306.475 3.268 20 0 DGADLP C[NH+](CCC(=O)c1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127740 1097048250 /nfs/dbraw/zinc/04/82/50/1097048250.db2.gz JVPWHGUYFMUUAE-QDMKHBRRSA-N 2 2 306.475 3.268 20 0 DGADLP C[C@@H]1C(=O)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129891 1097048826 /nfs/dbraw/zinc/04/88/26/1097048826.db2.gz DTCOBVGBWDXXNM-WCXIOVBPSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129891 1097048832 /nfs/dbraw/zinc/04/88/32/1097048832.db2.gz DTCOBVGBWDXXNM-WCXIOVBPSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC001172129891 1097048838 /nfs/dbraw/zinc/04/88/38/1097048838.db2.gz DTCOBVGBWDXXNM-WCXIOVBPSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C12CCCC2 ZINC001172129891 1097048845 /nfs/dbraw/zinc/04/88/45/1097048845.db2.gz DTCOBVGBWDXXNM-WCXIOVBPSA-N 2 2 304.478 3.225 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115972 1097062223 /nfs/dbraw/zinc/06/22/23/1097062223.db2.gz ANEXYFWKNOLHJJ-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115972 1097062228 /nfs/dbraw/zinc/06/22/28/1097062228.db2.gz ANEXYFWKNOLHJJ-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115972 1097062235 /nfs/dbraw/zinc/06/22/35/1097062235.db2.gz ANEXYFWKNOLHJJ-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCOC[C@@H]1c1ccccc1)C2 ZINC001172115972 1097062239 /nfs/dbraw/zinc/06/22/39/1097062239.db2.gz ANEXYFWKNOLHJJ-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172344318 1097119093 /nfs/dbraw/zinc/11/90/93/1097119093.db2.gz ANAKPBWFWODATR-CVEARBPZSA-N 2 2 305.466 3.234 20 0 DGADLP CC(C)COCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172482138 1097150324 /nfs/dbraw/zinc/15/03/24/1097150324.db2.gz WYSUCJCKLLOALL-HNNXBMFYSA-N 2 2 323.456 3.230 20 0 DGADLP CC(C)OCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172437017 1097153181 /nfs/dbraw/zinc/15/31/81/1097153181.db2.gz MCVHTPKSGOCVSE-ULQDDVLXSA-N 2 2 305.466 3.362 20 0 DGADLP CC(C)COCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172461434 1097162133 /nfs/dbraw/zinc/16/21/33/1097162133.db2.gz GMPBMJLFZJNYIU-QGZVFWFLSA-N 2 2 319.493 3.339 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173549 1097213796 /nfs/dbraw/zinc/21/37/96/1097213796.db2.gz IEHNYGSFZIJLNN-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173549 1097213801 /nfs/dbraw/zinc/21/38/01/1097213801.db2.gz IEHNYGSFZIJLNN-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1[nH+]cn([C@H]2Cc3ccc(Cl)cc3C2)c1CSCC[NH3+] ZINC001172710659 1097228270 /nfs/dbraw/zinc/22/82/70/1097228270.db2.gz KDAUAJPYSBUZFO-HNNXBMFYSA-N 2 2 321.877 3.377 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCOc1cc[nH+]cc1 ZINC001172864726 1097255664 /nfs/dbraw/zinc/25/56/64/1097255664.db2.gz HEXHGXRJAZGTTK-GFCCVEGCSA-N 2 2 308.784 3.474 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001172838331 1097256021 /nfs/dbraw/zinc/25/60/21/1097256021.db2.gz NZEOOSXLEYBSBK-LEWJYISDSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001172838331 1097256026 /nfs/dbraw/zinc/25/60/26/1097256026.db2.gz NZEOOSXLEYBSBK-LEWJYISDSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1[nH+]c2c(n1[C@H](C)Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC001172846920 1097260971 /nfs/dbraw/zinc/26/09/71/1097260971.db2.gz IVRMBSILCNOVHR-LLVKDONJSA-N 2 2 321.827 3.476 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001173102555 1097329279 /nfs/dbraw/zinc/32/92/79/1097329279.db2.gz ABZNODQHTRFIRQ-VIQWUECVSA-N 3 2 309.542 3.349 20 0 DGADLP CC[NH+](CC)C1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001173113685 1097333208 /nfs/dbraw/zinc/33/32/08/1097333208.db2.gz BRAIXXQPNYNNJF-GTPINHCMSA-N 3 2 304.482 3.176 20 0 DGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173146559 1097347744 /nfs/dbraw/zinc/34/77/44/1097347744.db2.gz TWSHTMHMXVNCGR-INIZCTEOSA-N 2 2 319.518 3.339 20 0 DGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173146559 1097347748 /nfs/dbraw/zinc/34/77/48/1097347748.db2.gz TWSHTMHMXVNCGR-INIZCTEOSA-N 2 2 319.518 3.339 20 0 DGADLP C[NH+]1CCN(c2cccc(Nc3cccc(C4CC4)[nH+]3)c2)CC1 ZINC001212713152 1097381911 /nfs/dbraw/zinc/38/19/11/1097381911.db2.gz YDBGTXYFVLOZFX-UHFFFAOYSA-N 2 2 308.429 3.454 20 0 DGADLP CCSC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001173305996 1097405697 /nfs/dbraw/zinc/40/56/97/1097405697.db2.gz WWKKQDHTTKVUJU-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001173305996 1097405700 /nfs/dbraw/zinc/40/57/00/1097405700.db2.gz WWKKQDHTTKVUJU-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001173305996 1097405701 /nfs/dbraw/zinc/40/57/01/1097405701.db2.gz WWKKQDHTTKVUJU-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP CCSC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001173305996 1097405704 /nfs/dbraw/zinc/40/57/04/1097405704.db2.gz WWKKQDHTTKVUJU-LSDHHAIUSA-N 2 2 324.538 3.242 20 0 DGADLP Cn1c[nH+]c2cccc(Nc3ccc(C[NH+]4CCOCC4)cc3)c21 ZINC001174448697 1097730493 /nfs/dbraw/zinc/73/04/93/1097730493.db2.gz RWHZZGKGVUYSQA-UHFFFAOYSA-N 2 2 322.412 3.149 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ncccc2Cl)CC1 ZINC001231958003 1097899978 /nfs/dbraw/zinc/89/99/78/1097899978.db2.gz NAQIADUDFPUVNQ-UHFFFAOYSA-N 2 2 316.836 3.177 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]21 ZINC001175069518 1097918646 /nfs/dbraw/zinc/91/86/46/1097918646.db2.gz DIBPOCCVUDRJSK-AERCQKQUSA-N 2 2 322.452 3.257 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]21 ZINC001175069518 1097918650 /nfs/dbraw/zinc/91/86/50/1097918650.db2.gz DIBPOCCVUDRJSK-AERCQKQUSA-N 2 2 322.452 3.257 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc3c[nH+]ccc3[nH]2)C2CCCC2)CC1 ZINC001232018149 1097919269 /nfs/dbraw/zinc/91/92/69/1097919269.db2.gz FTPAVNSGWYFQMG-UHFFFAOYSA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](Cc3ccc(OC(F)F)cc3)C[C@@]2(C)C1 ZINC001175069093 1097922999 /nfs/dbraw/zinc/92/29/99/1097922999.db2.gz AULOJQIODGGAFX-IAGOWNOFSA-N 2 2 310.388 3.062 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC001232144421 1097949130 /nfs/dbraw/zinc/94/91/30/1097949130.db2.gz KRKCGWOMYSGJPE-UHFFFAOYSA-N 2 2 314.404 3.151 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC001232144421 1097949134 /nfs/dbraw/zinc/94/91/34/1097949134.db2.gz KRKCGWOMYSGJPE-UHFFFAOYSA-N 2 2 314.404 3.151 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccn1Cc1ccccc1 ZINC001232234698 1097977246 /nfs/dbraw/zinc/97/72/46/1097977246.db2.gz DQQIGIZYLWHVMD-UHFFFAOYSA-N 2 2 308.429 3.255 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccn1Cc1ccccc1 ZINC001232234698 1097977252 /nfs/dbraw/zinc/97/72/52/1097977252.db2.gz DQQIGIZYLWHVMD-UHFFFAOYSA-N 2 2 308.429 3.255 20 0 DGADLP Oc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2cccnc12 ZINC001232275276 1097989805 /nfs/dbraw/zinc/98/98/05/1097989805.db2.gz KOKDCSXOWZPXJN-UHFFFAOYSA-N 2 2 311.429 3.001 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(SC)nc2)CC1 ZINC001232330939 1098007034 /nfs/dbraw/zinc/00/70/34/1098007034.db2.gz JWWONYAZVOYZIH-UHFFFAOYSA-N 2 2 307.507 3.500 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(SC)nc2)CC1 ZINC001232330939 1098007045 /nfs/dbraw/zinc/00/70/45/1098007045.db2.gz JWWONYAZVOYZIH-UHFFFAOYSA-N 2 2 307.507 3.500 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351393 1098021439 /nfs/dbraw/zinc/02/14/39/1098021439.db2.gz LMCFINTUVSDSII-ZWKOTPCHSA-N 2 2 316.493 3.432 20 0 DGADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351393 1098021444 /nfs/dbraw/zinc/02/14/44/1098021444.db2.gz LMCFINTUVSDSII-ZWKOTPCHSA-N 2 2 316.493 3.432 20 0 DGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175504039 1098073689 /nfs/dbraw/zinc/07/36/89/1098073689.db2.gz XEDMBPUWLXGXSP-DLBZAZTESA-N 2 2 320.481 3.065 20 0 DGADLP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501926 1098074009 /nfs/dbraw/zinc/07/40/09/1098074009.db2.gz HKCPUMJKCDLFQN-IRXDYDNUSA-N 2 2 322.497 3.145 20 0 DGADLP CCC[N@@H+]1CCc2c(N)sc(Nc3c[nH+]ccc3OC)c2C1 ZINC001176121952 1098266862 /nfs/dbraw/zinc/26/68/62/1098266862.db2.gz UXWHAAAYTAANOB-UHFFFAOYSA-N 2 2 318.446 3.246 20 0 DGADLP CCC[N@H+]1CCc2c(N)sc(Nc3c[nH+]ccc3OC)c2C1 ZINC001176121952 1098266865 /nfs/dbraw/zinc/26/68/65/1098266865.db2.gz UXWHAAAYTAANOB-UHFFFAOYSA-N 2 2 318.446 3.246 20 0 DGADLP Cn1c[nH+]c2cc(Nc3ccc(OCC[NH+](C)C)cc3)ccc21 ZINC001176229301 1098290274 /nfs/dbraw/zinc/29/02/74/1098290274.db2.gz RBHCICSMKUJJLO-UHFFFAOYSA-N 2 2 310.401 3.257 20 0 DGADLP C[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1C1CCCCC1 ZINC001233364651 1098301648 /nfs/dbraw/zinc/30/16/48/1098301648.db2.gz WOIZBFOHLSRBDG-INIZCTEOSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1C1CCCCC1 ZINC001233364651 1098301653 /nfs/dbraw/zinc/30/16/53/1098301653.db2.gz WOIZBFOHLSRBDG-INIZCTEOSA-N 2 2 312.461 3.173 20 0 DGADLP CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807133 1098429972 /nfs/dbraw/zinc/42/99/72/1098429972.db2.gz KUJWGPYHIFMCOB-APWZRJJASA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807133 1098429975 /nfs/dbraw/zinc/42/99/75/1098429975.db2.gz KUJWGPYHIFMCOB-APWZRJJASA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@@H](C)[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807133 1098429976 /nfs/dbraw/zinc/42/99/76/1098429976.db2.gz KUJWGPYHIFMCOB-APWZRJJASA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@@H](C)[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807133 1098429980 /nfs/dbraw/zinc/42/99/80/1098429980.db2.gz KUJWGPYHIFMCOB-APWZRJJASA-N 2 2 317.477 3.264 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001177061292 1098469285 /nfs/dbraw/zinc/46/92/85/1098469285.db2.gz KQGNZDCYDKDCQB-ICSRJNTNSA-N 2 2 318.505 3.202 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001177061292 1098469288 /nfs/dbraw/zinc/46/92/88/1098469288.db2.gz KQGNZDCYDKDCQB-ICSRJNTNSA-N 2 2 318.505 3.202 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001234000227 1098474119 /nfs/dbraw/zinc/47/41/19/1098474119.db2.gz ZDVSEYYRVKKCQZ-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP COc1cc(C[N@H+](C)CC2CC(F)(F)C2)ccc1-n1cc[nH+]c1 ZINC001234066851 1098489096 /nfs/dbraw/zinc/48/90/96/1098489096.db2.gz QHKQICQWEZUSNK-UHFFFAOYSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cc(C[N@@H+](C)CC2CC(F)(F)C2)ccc1-n1cc[nH+]c1 ZINC001234066851 1098489099 /nfs/dbraw/zinc/48/90/99/1098489099.db2.gz QHKQICQWEZUSNK-UHFFFAOYSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](CF)C2)ccc1-n1cc[nH+]c1 ZINC001234066229 1098489495 /nfs/dbraw/zinc/48/94/95/1098489495.db2.gz JSLHIHIVMRHYFQ-HNNXBMFYSA-N 2 2 303.381 3.062 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](CF)C2)ccc1-n1cc[nH+]c1 ZINC001234066229 1098489498 /nfs/dbraw/zinc/48/94/98/1098489498.db2.gz JSLHIHIVMRHYFQ-HNNXBMFYSA-N 2 2 303.381 3.062 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCC[C@@H](C)C1 ZINC001177261413 1098507886 /nfs/dbraw/zinc/50/78/86/1098507886.db2.gz DNFRCHVXFDPYKT-HUUCEWRRSA-N 2 2 318.490 3.144 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001177937429 1098662737 /nfs/dbraw/zinc/66/27/37/1098662737.db2.gz LDRAPLZHARHPFY-UHFFFAOYSA-N 2 2 321.428 3.372 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995026 1098738553 /nfs/dbraw/zinc/73/85/53/1098738553.db2.gz WISVSJRDCUNZOX-MRXNPFEDSA-N 2 2 312.379 3.323 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995026 1098738561 /nfs/dbraw/zinc/73/85/61/1098738561.db2.gz WISVSJRDCUNZOX-MRXNPFEDSA-N 2 2 312.379 3.323 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(N2CCCC2)c1 ZINC001234997189 1098740751 /nfs/dbraw/zinc/74/07/51/1098740751.db2.gz IJMPHJPKBPZWGS-IBGZPJMESA-N 2 2 317.452 3.001 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(N2CCCC2)c1 ZINC001234997189 1098740761 /nfs/dbraw/zinc/74/07/61/1098740761.db2.gz IJMPHJPKBPZWGS-IBGZPJMESA-N 2 2 317.452 3.001 20 0 DGADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)c(F)c1 ZINC001235004401 1098747679 /nfs/dbraw/zinc/74/76/79/1098747679.db2.gz AMFPOKRNISDIQC-HNAYVOBHSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)c(F)c1 ZINC001235004401 1098747691 /nfs/dbraw/zinc/74/76/91/1098747691.db2.gz AMFPOKRNISDIQC-HNAYVOBHSA-N 2 2 314.379 3.426 20 0 DGADLP CCSc1ccccc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235014517 1098750551 /nfs/dbraw/zinc/75/05/51/1098750551.db2.gz HIEKIPMTQCGELT-SFHVURJKSA-N 2 2 320.502 3.001 20 0 DGADLP CCSc1ccccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235014517 1098750563 /nfs/dbraw/zinc/75/05/63/1098750563.db2.gz HIEKIPMTQCGELT-SFHVURJKSA-N 2 2 320.502 3.001 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)CC1CC1 ZINC001235017336 1098753251 /nfs/dbraw/zinc/75/32/51/1098753251.db2.gz GJQQZAZYBDNIDJ-UHFFFAOYSA-N 2 2 320.234 3.477 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)CC1CC1 ZINC001235017336 1098753261 /nfs/dbraw/zinc/75/32/61/1098753261.db2.gz GJQQZAZYBDNIDJ-UHFFFAOYSA-N 2 2 320.234 3.477 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037097 1098768083 /nfs/dbraw/zinc/76/80/83/1098768083.db2.gz DNXGVDJJSVMZPY-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037097 1098768087 /nfs/dbraw/zinc/76/80/87/1098768087.db2.gz DNXGVDJJSVMZPY-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235045733 1098771730 /nfs/dbraw/zinc/77/17/30/1098771730.db2.gz NDFAKLJRDUDJIT-KRWDZBQOSA-N 2 2 310.388 3.396 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235045733 1098771743 /nfs/dbraw/zinc/77/17/43/1098771743.db2.gz NDFAKLJRDUDJIT-KRWDZBQOSA-N 2 2 310.388 3.396 20 0 DGADLP COc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048579 1098774006 /nfs/dbraw/zinc/77/40/06/1098774006.db2.gz YUHCVJOEFUETDM-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235048579 1098774017 /nfs/dbraw/zinc/77/40/17/1098774017.db2.gz YUHCVJOEFUETDM-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP Clc1ccc(-n2cccc2C[N@@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235103045 1098802016 /nfs/dbraw/zinc/80/20/16/1098802016.db2.gz QJEOBUODLLXEFM-UHFFFAOYSA-N 2 2 315.848 3.459 20 0 DGADLP Clc1ccc(-n2cccc2C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235103045 1098802032 /nfs/dbraw/zinc/80/20/32/1098802032.db2.gz QJEOBUODLLXEFM-UHFFFAOYSA-N 2 2 315.848 3.459 20 0 DGADLP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235119905 1098821195 /nfs/dbraw/zinc/82/11/95/1098821195.db2.gz RLOXLDIRYQONDQ-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235119905 1098821199 /nfs/dbraw/zinc/82/11/99/1098821199.db2.gz RLOXLDIRYQONDQ-HXUWFJFHSA-N 2 2 310.441 3.103 20 0 DGADLP CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001178404891 1098821910 /nfs/dbraw/zinc/82/19/10/1098821910.db2.gz YKCQAQUKOQNLGI-OAHLLOKOSA-N 2 2 307.463 3.067 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235141680 1098833382 /nfs/dbraw/zinc/83/33/82/1098833382.db2.gz VUDRXKFWADYYOJ-UHFFFAOYSA-N 2 2 314.351 3.303 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141680 1098833393 /nfs/dbraw/zinc/83/33/93/1098833393.db2.gz VUDRXKFWADYYOJ-UHFFFAOYSA-N 2 2 314.351 3.303 20 0 DGADLP O=c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C2CCCC2)C3)[nH]1 ZINC001277930757 1098876225 /nfs/dbraw/zinc/87/62/25/1098876225.db2.gz TXHHLUVMCJLWKZ-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C2CCCC2)C3)[nH]1 ZINC001277930757 1098876236 /nfs/dbraw/zinc/87/62/36/1098876236.db2.gz TXHHLUVMCJLWKZ-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C2CCCC2)C3)[nH]1 ZINC001277930757 1098876244 /nfs/dbraw/zinc/87/62/44/1098876244.db2.gz TXHHLUVMCJLWKZ-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C2CCCC2)C3)[nH]1 ZINC001277930757 1098876253 /nfs/dbraw/zinc/87/62/53/1098876253.db2.gz TXHHLUVMCJLWKZ-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649458 1098897657 /nfs/dbraw/zinc/89/76/57/1098897657.db2.gz JTSUFVOOPRNJOG-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649458 1098897669 /nfs/dbraw/zinc/89/76/69/1098897669.db2.gz JTSUFVOOPRNJOG-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP CCCc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235230130 1098904660 /nfs/dbraw/zinc/90/46/60/1098904660.db2.gz JJEIOQFUOVSPKQ-HOTGVXAUSA-N 2 2 312.379 3.223 20 0 DGADLP CCCc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235230130 1098904671 /nfs/dbraw/zinc/90/46/71/1098904671.db2.gz JJEIOQFUOVSPKQ-HOTGVXAUSA-N 2 2 312.379 3.223 20 0 DGADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235232124 1098906543 /nfs/dbraw/zinc/90/65/43/1098906543.db2.gz UKEZNBCGUPUGGI-WFASDCNBSA-N 2 2 316.342 3.026 20 0 DGADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235232124 1098906547 /nfs/dbraw/zinc/90/65/47/1098906547.db2.gz UKEZNBCGUPUGGI-WFASDCNBSA-N 2 2 316.342 3.026 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235248997 1098922586 /nfs/dbraw/zinc/92/25/86/1098922586.db2.gz GWFFREZEKCQDNV-NHCUHLMSSA-N 2 2 322.452 3.417 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235248997 1098922602 /nfs/dbraw/zinc/92/26/02/1098922602.db2.gz GWFFREZEKCQDNV-NHCUHLMSSA-N 2 2 322.452 3.417 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235264422 1098934988 /nfs/dbraw/zinc/93/49/88/1098934988.db2.gz XSGDMFGJCYSQTK-APWZRJJASA-N 2 2 310.441 3.421 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235264422 1098934994 /nfs/dbraw/zinc/93/49/94/1098934994.db2.gz XSGDMFGJCYSQTK-APWZRJJASA-N 2 2 310.441 3.421 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1F ZINC001235400128 1098995625 /nfs/dbraw/zinc/99/56/25/1098995625.db2.gz HFQXRJIUXIBHHP-MSOLQXFVSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1F ZINC001235400128 1098995629 /nfs/dbraw/zinc/99/56/29/1098995629.db2.gz HFQXRJIUXIBHHP-MSOLQXFVSA-N 2 2 324.415 3.136 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1Cl ZINC001179265917 1099051062 /nfs/dbraw/zinc/05/10/62/1099051062.db2.gz GOZJCBLBDWRDEA-SNVBAGLBSA-N 2 2 305.249 3.432 20 0 DGADLP Cc1cc(F)c(C[N@@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235465908 1099051988 /nfs/dbraw/zinc/05/19/88/1099051988.db2.gz KCYRBIFZHXLPRJ-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP Cc1cc(F)c(C[N@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235465908 1099052002 /nfs/dbraw/zinc/05/20/02/1099052002.db2.gz KCYRBIFZHXLPRJ-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)c2ccccc2)c[nH+]1 ZINC001179437336 1099093246 /nfs/dbraw/zinc/09/32/46/1099093246.db2.gz DNYBVKGQZJAAFA-LJQANCHMSA-N 2 2 317.396 3.291 20 0 DGADLP C[NH2+]CC[NH+]1CCC2(CCc3cc(-c4cccnc4)ccc32)CC1 ZINC001235594401 1099095384 /nfs/dbraw/zinc/09/53/84/1099095384.db2.gz TWDMAJQTTLMVSR-UHFFFAOYSA-N 2 2 321.468 3.248 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001235675353 1099117913 /nfs/dbraw/zinc/11/79/13/1099117913.db2.gz WILXDEMEPZGHIV-NSHDSACASA-N 2 2 322.758 3.409 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001235675353 1099117917 /nfs/dbraw/zinc/11/79/17/1099117917.db2.gz WILXDEMEPZGHIV-NSHDSACASA-N 2 2 322.758 3.409 20 0 DGADLP c1ccc2cc(C3CC[NH+](C[C@H]4C[NH2+]CCO4)CC3)ccc2c1 ZINC001235714717 1099142300 /nfs/dbraw/zinc/14/23/00/1099142300.db2.gz JHEQPJIAGHHEBH-HXUWFJFHSA-N 2 2 310.441 3.008 20 0 DGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001235750316 1099163072 /nfs/dbraw/zinc/16/30/72/1099163072.db2.gz PBEWSSZTVOEKLW-AWEZNQCLSA-N 2 2 300.377 3.399 20 0 DGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001235750316 1099163077 /nfs/dbraw/zinc/16/30/77/1099163077.db2.gz PBEWSSZTVOEKLW-AWEZNQCLSA-N 2 2 300.377 3.399 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001235804946 1099187516 /nfs/dbraw/zinc/18/75/16/1099187516.db2.gz FMUHAFZWPUWBTJ-INIZCTEOSA-N 2 2 316.376 3.273 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001235804946 1099187518 /nfs/dbraw/zinc/18/75/18/1099187518.db2.gz FMUHAFZWPUWBTJ-INIZCTEOSA-N 2 2 316.376 3.273 20 0 DGADLP COCCC[N@H+](Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001235807998 1099189889 /nfs/dbraw/zinc/18/98/89/1099189889.db2.gz QPMSGSORTODQKR-FQEVSTJZSA-N 2 2 312.457 3.430 20 0 DGADLP COCCC[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001235807998 1099189894 /nfs/dbraw/zinc/18/98/94/1099189894.db2.gz QPMSGSORTODQKR-FQEVSTJZSA-N 2 2 312.457 3.430 20 0 DGADLP COCCC[N@H+](Cc1ccc2occc2c1)[C@H]1CCC[NH2+]C1 ZINC001235809669 1099191152 /nfs/dbraw/zinc/19/11/52/1099191152.db2.gz ZJPWVFSYTCTWPJ-KRWDZBQOSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1ccc2occc2c1)[C@H]1CCC[NH2+]C1 ZINC001235809669 1099191155 /nfs/dbraw/zinc/19/11/55/1099191155.db2.gz ZJPWVFSYTCTWPJ-KRWDZBQOSA-N 2 2 302.418 3.023 20 0 DGADLP C[N@H+](CCc1cccc(Cl)c1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235839475 1099202743 /nfs/dbraw/zinc/20/27/43/1099202743.db2.gz SOIODMKWPTTXNT-GOSISDBHSA-N 2 2 302.849 3.384 20 0 DGADLP C[N@@H+](CCc1cccc(Cl)c1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235839475 1099202749 /nfs/dbraw/zinc/20/27/49/1099202749.db2.gz SOIODMKWPTTXNT-GOSISDBHSA-N 2 2 302.849 3.384 20 0 DGADLP Fc1cccc2c1C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235841015 1099205010 /nfs/dbraw/zinc/20/50/10/1099205010.db2.gz ROWMBPMMURXFQG-UHFFFAOYSA-N 2 2 321.399 3.399 20 0 DGADLP Fc1cccc2c1C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235841015 1099205017 /nfs/dbraw/zinc/20/50/17/1099205017.db2.gz ROWMBPMMURXFQG-UHFFFAOYSA-N 2 2 321.399 3.399 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1cn(C)c2ccc(Br)cc12 ZINC001235947650 1099280577 /nfs/dbraw/zinc/28/05/77/1099280577.db2.gz LWFBARNLNZTOBE-UHFFFAOYSA-N 2 2 324.266 3.110 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1cn(C)c2ccc(Br)cc12 ZINC001235947650 1099280589 /nfs/dbraw/zinc/28/05/89/1099280589.db2.gz LWFBARNLNZTOBE-UHFFFAOYSA-N 2 2 324.266 3.110 20 0 DGADLP C[C@H]1c2cccn2CC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235963150 1099295001 /nfs/dbraw/zinc/29/50/01/1099295001.db2.gz VBIHCTMXGKCRQD-HNNXBMFYSA-N 2 2 320.440 3.123 20 0 DGADLP C[C@H]1c2cccn2CC[N@@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235963150 1099295008 /nfs/dbraw/zinc/29/50/08/1099295008.db2.gz VBIHCTMXGKCRQD-HNNXBMFYSA-N 2 2 320.440 3.123 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236048328 1099350703 /nfs/dbraw/zinc/35/07/03/1099350703.db2.gz NQJUEEPUKXNSTD-ZWNOBZJWSA-N 2 2 302.340 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236048328 1099350713 /nfs/dbraw/zinc/35/07/13/1099350713.db2.gz NQJUEEPUKXNSTD-ZWNOBZJWSA-N 2 2 302.340 3.063 20 0 DGADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001236084674 1099377082 /nfs/dbraw/zinc/37/70/82/1099377082.db2.gz DMKXLVXAZILHKF-LLVKDONJSA-N 2 2 302.340 3.112 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CO1 ZINC001236124416 1099413079 /nfs/dbraw/zinc/41/30/79/1099413079.db2.gz MNPRJWZIVCUQDJ-XJKSGUPXSA-N 2 2 310.388 3.216 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CO1 ZINC001236124416 1099413084 /nfs/dbraw/zinc/41/30/84/1099413084.db2.gz MNPRJWZIVCUQDJ-XJKSGUPXSA-N 2 2 310.388 3.216 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cc2cc(Br)ccc2s1 ZINC001236142808 1099427566 /nfs/dbraw/zinc/42/75/66/1099427566.db2.gz ASBRZRPTYSLZQE-UHFFFAOYSA-N 2 2 313.264 3.444 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cc2cc(Br)ccc2s1 ZINC001236142808 1099427572 /nfs/dbraw/zinc/42/75/72/1099427572.db2.gz ASBRZRPTYSLZQE-UHFFFAOYSA-N 2 2 313.264 3.444 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001236144963 1099431243 /nfs/dbraw/zinc/43/12/43/1099431243.db2.gz QVQJWEWDMOIQLV-LJQANCHMSA-N 2 2 310.441 3.142 20 0 DGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc(C)c1F ZINC001236195084 1099457989 /nfs/dbraw/zinc/45/79/89/1099457989.db2.gz NYVNVSVGYLGUMK-KRWDZBQOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc(C)c1F ZINC001236195084 1099457998 /nfs/dbraw/zinc/45/79/98/1099457998.db2.gz NYVNVSVGYLGUMK-KRWDZBQOSA-N 2 2 314.404 3.343 20 0 DGADLP C[N@H+](Cc1ccc(O)cc1C(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217336 1099473812 /nfs/dbraw/zinc/47/38/12/1099473812.db2.gz OBJZGTSVQJUNIP-KGLIPLIRSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217336 1099473819 /nfs/dbraw/zinc/47/38/19/1099473819.db2.gz OBJZGTSVQJUNIP-KGLIPLIRSA-N 2 2 302.340 3.113 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236239944 1099492985 /nfs/dbraw/zinc/49/29/85/1099492985.db2.gz JOJQGHFSVPQQRU-IBGZPJMESA-N 2 2 307.441 3.465 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236239944 1099492993 /nfs/dbraw/zinc/49/29/93/1099492993.db2.gz JOJQGHFSVPQQRU-IBGZPJMESA-N 2 2 307.441 3.465 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC001236253359 1099501720 /nfs/dbraw/zinc/50/17/20/1099501720.db2.gz VRVBWSNEISUUKA-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3C[NH3+])c2)cc1 ZINC001236253359 1099501731 /nfs/dbraw/zinc/50/17/31/1099501731.db2.gz VRVBWSNEISUUKA-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP COCC[N@H+](Cc1c(C)ccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236330162 1099540546 /nfs/dbraw/zinc/54/05/46/1099540546.db2.gz MGLAUSNMESYUCW-GOSISDBHSA-N 2 2 312.457 3.349 20 0 DGADLP COCC[N@@H+](Cc1c(C)ccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236330162 1099540558 /nfs/dbraw/zinc/54/05/58/1099540558.db2.gz MGLAUSNMESYUCW-GOSISDBHSA-N 2 2 312.457 3.349 20 0 DGADLP COCC[N@H+](CCCCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236327800 1099540865 /nfs/dbraw/zinc/54/08/65/1099540865.db2.gz MBWZIDIVBDYTFR-IBGZPJMESA-N 2 2 304.478 3.100 20 0 DGADLP COCC[N@@H+](CCCCCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236327800 1099540875 /nfs/dbraw/zinc/54/08/75/1099540875.db2.gz MBWZIDIVBDYTFR-IBGZPJMESA-N 2 2 304.478 3.100 20 0 DGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419289 1099593501 /nfs/dbraw/zinc/59/35/01/1099593501.db2.gz HRSUHLPXBCYRGW-YJBOKZPZSA-N 2 2 320.440 3.337 20 0 DGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419289 1099593509 /nfs/dbraw/zinc/59/35/09/1099593509.db2.gz HRSUHLPXBCYRGW-YJBOKZPZSA-N 2 2 320.440 3.337 20 0 DGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419287 1099594463 /nfs/dbraw/zinc/59/44/63/1099594463.db2.gz HRSUHLPXBCYRGW-MAUKXSAKSA-N 2 2 320.440 3.337 20 0 DGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419287 1099594473 /nfs/dbraw/zinc/59/44/73/1099594473.db2.gz HRSUHLPXBCYRGW-MAUKXSAKSA-N 2 2 320.440 3.337 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@@](F)(C[NH3+])C3)ccc21 ZINC001236434714 1099610500 /nfs/dbraw/zinc/61/05/00/1099610500.db2.gz OQYRBAXZBIAIRO-LJQANCHMSA-N 2 2 311.404 3.204 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@@](F)(C[NH3+])C3)ccc21 ZINC001236434714 1099610512 /nfs/dbraw/zinc/61/05/12/1099610512.db2.gz OQYRBAXZBIAIRO-LJQANCHMSA-N 2 2 311.404 3.204 20 0 DGADLP CC(C)[N@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236469253 1099627763 /nfs/dbraw/zinc/62/77/63/1099627763.db2.gz QSZOZXUQTCHVEQ-OAHLLOKOSA-N 2 2 312.404 3.293 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236469253 1099627770 /nfs/dbraw/zinc/62/77/70/1099627770.db2.gz QSZOZXUQTCHVEQ-OAHLLOKOSA-N 2 2 312.404 3.293 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473801 1099631528 /nfs/dbraw/zinc/63/15/28/1099631528.db2.gz GGUSWAVOQCSATJ-GOSISDBHSA-N 2 2 319.493 3.387 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473801 1099631529 /nfs/dbraw/zinc/63/15/29/1099631529.db2.gz GGUSWAVOQCSATJ-GOSISDBHSA-N 2 2 319.493 3.387 20 0 DGADLP CC(C)C[N@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236477894 1099636849 /nfs/dbraw/zinc/63/68/49/1099636849.db2.gz SFAZOURZMNVBKH-OAHLLOKOSA-N 2 2 312.404 3.498 20 0 DGADLP CC(C)C[N@@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236477894 1099636852 /nfs/dbraw/zinc/63/68/52/1099636852.db2.gz SFAZOURZMNVBKH-OAHLLOKOSA-N 2 2 312.404 3.498 20 0 DGADLP CC(C)Oc1cncc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236521401 1099657965 /nfs/dbraw/zinc/65/79/65/1099657965.db2.gz LRTQFTMNKXRKTI-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cncc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236521401 1099657973 /nfs/dbraw/zinc/65/79/73/1099657973.db2.gz LRTQFTMNKXRKTI-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cncc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001236522232 1099659049 /nfs/dbraw/zinc/65/90/49/1099659049.db2.gz YLJZWFDQZBWYCP-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cncc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001236522232 1099659057 /nfs/dbraw/zinc/65/90/57/1099659057.db2.gz YLJZWFDQZBWYCP-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccn1 ZINC001236559961 1099679612 /nfs/dbraw/zinc/67/96/12/1099679612.db2.gz BQAGXTGGCXZBRF-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccn1 ZINC001236559961 1099679616 /nfs/dbraw/zinc/67/96/16/1099679616.db2.gz BQAGXTGGCXZBRF-QGZVFWFLSA-N 2 2 311.429 3.069 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236604849 1099698920 /nfs/dbraw/zinc/69/89/20/1099698920.db2.gz PUVRVDCSUGRHFL-CYBMUJFWSA-N 2 2 322.758 3.409 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236604849 1099698923 /nfs/dbraw/zinc/69/89/23/1099698923.db2.gz PUVRVDCSUGRHFL-CYBMUJFWSA-N 2 2 322.758 3.409 20 0 DGADLP CCOc1ncc(Cl)cc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637528 1099718231 /nfs/dbraw/zinc/71/82/31/1099718231.db2.gz RBEPHKWZBLNOBD-UHFFFAOYSA-N 2 2 323.868 3.240 20 0 DGADLP CCOc1ncc(Cl)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637528 1099718236 /nfs/dbraw/zinc/71/82/36/1099718236.db2.gz RBEPHKWZBLNOBD-UHFFFAOYSA-N 2 2 323.868 3.240 20 0 DGADLP Cc1c(CN([C@H]2CC[NH2+]C2)C2CCCCC2)[nH+]c2ccccn12 ZINC001236652219 1099722663 /nfs/dbraw/zinc/72/26/63/1099722663.db2.gz LPAPEUDRSVOJQC-KRWDZBQOSA-N 2 2 312.461 3.139 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)c(O)c1 ZINC001236710240 1099752263 /nfs/dbraw/zinc/75/22/63/1099752263.db2.gz LZIYUKZAYMGCRL-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)c(O)c1 ZINC001236710240 1099752272 /nfs/dbraw/zinc/75/22/72/1099752272.db2.gz LZIYUKZAYMGCRL-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP COC(=O)c1cc(Cl)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001236772572 1099776769 /nfs/dbraw/zinc/77/67/69/1099776769.db2.gz QTGWHOMBJMBFRX-UHFFFAOYSA-N 2 2 324.852 3.044 20 0 DGADLP COC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001236772572 1099776775 /nfs/dbraw/zinc/77/67/75/1099776775.db2.gz QTGWHOMBJMBFRX-UHFFFAOYSA-N 2 2 324.852 3.044 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2ncc(Br)cc2c1 ZINC001236885166 1099850696 /nfs/dbraw/zinc/85/06/96/1099850696.db2.gz WQOYTHFTTVOVFR-AWEZNQCLSA-N 2 2 322.250 3.166 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ncc(Br)cc2c1 ZINC001236885166 1099850706 /nfs/dbraw/zinc/85/07/06/1099850706.db2.gz WQOYTHFTTVOVFR-AWEZNQCLSA-N 2 2 322.250 3.166 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@]1(C)O ZINC001236902445 1099865133 /nfs/dbraw/zinc/86/51/33/1099865133.db2.gz BIONJQMJEXSZIK-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@]1(C)O ZINC001236902445 1099865137 /nfs/dbraw/zinc/86/51/37/1099865137.db2.gz BIONJQMJEXSZIK-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP CCC1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236916412 1099877995 /nfs/dbraw/zinc/87/79/95/1099877995.db2.gz MLTLLQAWESNZIM-UHFFFAOYSA-N 2 2 319.836 3.263 20 0 DGADLP C[NH+](C)[C@@H]1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236921273 1099879697 /nfs/dbraw/zinc/87/96/97/1099879697.db2.gz GUXKTEBQIMFIHX-MRXNPFEDSA-N 2 2 318.852 3.052 20 0 DGADLP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1cccc2c1OCO2 ZINC001237017421 1099929273 /nfs/dbraw/zinc/92/92/73/1099929273.db2.gz YOXMRXDLVSEVRO-UHFFFAOYSA-N 2 2 304.434 3.160 20 0 DGADLP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1cccc2c1OCO2 ZINC001237017421 1099929285 /nfs/dbraw/zinc/92/92/85/1099929285.db2.gz YOXMRXDLVSEVRO-UHFFFAOYSA-N 2 2 304.434 3.160 20 0 DGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000156621899 1099960404 /nfs/dbraw/zinc/96/04/04/1099960404.db2.gz KSGSIHVQSNLBNA-SJLPKXTDSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141619 1099994449 /nfs/dbraw/zinc/99/44/49/1099994449.db2.gz IZSXWTHWUQYDTC-UZLBHIALSA-N 2 2 310.441 3.008 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141619 1099994461 /nfs/dbraw/zinc/99/44/61/1099994461.db2.gz IZSXWTHWUQYDTC-UZLBHIALSA-N 2 2 310.441 3.008 20 0 DGADLP FC(F)Oc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237146782 1099996944 /nfs/dbraw/zinc/99/69/44/1099996944.db2.gz VYLKVPZYSNPABA-HNNXBMFYSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237146782 1099996950 /nfs/dbraw/zinc/99/69/50/1099996950.db2.gz VYLKVPZYSNPABA-HNNXBMFYSA-N 2 2 310.388 3.395 20 0 DGADLP c1nc2cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2s1 ZINC001237157086 1100007916 /nfs/dbraw/zinc/00/79/16/1100007916.db2.gz QWBCHKMPVZITST-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2s1 ZINC001237157086 1100007930 /nfs/dbraw/zinc/00/79/30/1100007930.db2.gz QWBCHKMPVZITST-OAHLLOKOSA-N 2 2 301.459 3.403 20 0 DGADLP Fc1cc2c(cc1F)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001237190596 1100026322 /nfs/dbraw/zinc/02/63/22/1100026322.db2.gz FWLQTDLQECJDRL-UHFFFAOYSA-N 2 2 314.379 3.169 20 0 DGADLP Fc1cc2c(cc1F)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001237190596 1100026326 /nfs/dbraw/zinc/02/63/26/1100026326.db2.gz FWLQTDLQECJDRL-UHFFFAOYSA-N 2 2 314.379 3.169 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4nccc(Cl)c4c3)C[C@@H]2C1 ZINC001237275228 1100054722 /nfs/dbraw/zinc/05/47/22/1100054722.db2.gz PLCMUFOPKZADTK-GJZGRUSLSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc(O)cc(F)c2)C2CCCC2)CC1 ZINC001237286811 1100060926 /nfs/dbraw/zinc/06/09/26/1100060926.db2.gz KRQUGCSRLSAJRQ-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc(O)cc(F)c2)C2CCCC2)CC1 ZINC001237286811 1100060934 /nfs/dbraw/zinc/06/09/34/1100060934.db2.gz KRQUGCSRLSAJRQ-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1Br ZINC001237404706 1100112300 /nfs/dbraw/zinc/11/23/00/1100112300.db2.gz OYQKMJGQBPGFEL-DZGCQCFKSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1Br ZINC001237404706 1100112303 /nfs/dbraw/zinc/11/23/03/1100112303.db2.gz OYQKMJGQBPGFEL-DZGCQCFKSA-N 2 2 323.278 3.331 20 0 DGADLP c1csc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)n2)c1 ZINC001237413067 1100118091 /nfs/dbraw/zinc/11/80/91/1100118091.db2.gz IWWBAEMSESOXOM-HOCLYGCPSA-N 2 2 313.470 3.384 20 0 DGADLP c1csc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)n2)c1 ZINC001237413067 1100118105 /nfs/dbraw/zinc/11/81/05/1100118105.db2.gz IWWBAEMSESOXOM-HOCLYGCPSA-N 2 2 313.470 3.384 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2NC(C)=O)CC1 ZINC001237412799 1100118131 /nfs/dbraw/zinc/11/81/31/1100118131.db2.gz DLIGJSMFSWDUFJ-UHFFFAOYSA-N 2 2 317.477 3.341 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2NC(C)=O)CC1 ZINC001237412799 1100118137 /nfs/dbraw/zinc/11/81/37/1100118137.db2.gz DLIGJSMFSWDUFJ-UHFFFAOYSA-N 2 2 317.477 3.341 20 0 DGADLP Clc1ccnc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc12 ZINC001237417625 1100121542 /nfs/dbraw/zinc/12/15/42/1100121542.db2.gz VDSMBKZIACYTMS-RHSMWYFYSA-N 2 2 315.848 3.462 20 0 DGADLP Clc1ccnc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc12 ZINC001237417625 1100121549 /nfs/dbraw/zinc/12/15/49/1100121549.db2.gz VDSMBKZIACYTMS-RHSMWYFYSA-N 2 2 315.848 3.462 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237450266 1100128032 /nfs/dbraw/zinc/12/80/32/1100128032.db2.gz JROBMDUXXXYYDM-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237450266 1100128037 /nfs/dbraw/zinc/12/80/37/1100128037.db2.gz JROBMDUXXXYYDM-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP Cc1sccc1C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001237969437 1100307506 /nfs/dbraw/zinc/30/75/06/1100307506.db2.gz XZSCHZKWDNJFNJ-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1sccc1C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001237969437 1100307516 /nfs/dbraw/zinc/30/75/16/1100307516.db2.gz XZSCHZKWDNJFNJ-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001238114799 1100364902 /nfs/dbraw/zinc/36/49/02/1100364902.db2.gz WRLSRYVVLXAJAY-SFHVURJKSA-N 2 2 324.453 3.486 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001238114799 1100364910 /nfs/dbraw/zinc/36/49/10/1100364910.db2.gz WRLSRYVVLXAJAY-SFHVURJKSA-N 2 2 324.453 3.486 20 0 DGADLP CC(C)Oc1c(C[N@H+]2CCc3[nH+]ccn3CC2)ccc(F)c1F ZINC001238748803 1100518296 /nfs/dbraw/zinc/51/82/96/1100518296.db2.gz WHMCXADSFHVCDW-UHFFFAOYSA-N 2 2 321.371 3.007 20 0 DGADLP CC(C)Oc1c(C[N@@H+]2CCc3[nH+]ccn3CC2)ccc(F)c1F ZINC001238748803 1100518303 /nfs/dbraw/zinc/51/83/03/1100518303.db2.gz WHMCXADSFHVCDW-UHFFFAOYSA-N 2 2 321.371 3.007 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cncc3ccccc32)C1 ZINC001239948893 1100808966 /nfs/dbraw/zinc/80/89/66/1100808966.db2.gz KALQMBACLFHEAC-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cncc3ccccc32)C1 ZINC001239948893 1100808970 /nfs/dbraw/zinc/80/89/70/1100808970.db2.gz KALQMBACLFHEAC-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc2[nH+]ccn2cc1-c1cccc(CC[NH+]2CCOCC2)c1 ZINC001240270762 1100918633 /nfs/dbraw/zinc/91/86/33/1100918633.db2.gz NPBCOWIKROKGTL-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP Cc1cc2cc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cnc2[nH]1 ZINC001240489479 1101018410 /nfs/dbraw/zinc/01/84/10/1101018410.db2.gz ZLNUIHIHJPZEEH-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2cc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cnc2[nH]1 ZINC001240489479 1101018415 /nfs/dbraw/zinc/01/84/15/1101018415.db2.gz ZLNUIHIHJPZEEH-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(N3CCCC3)c2)C1 ZINC001240537188 1101039660 /nfs/dbraw/zinc/03/96/60/1101039660.db2.gz OVDOGKGWMPGOEA-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(N3CCCC3)c2)C1 ZINC001240537188 1101039669 /nfs/dbraw/zinc/03/96/69/1101039669.db2.gz OVDOGKGWMPGOEA-IBGZPJMESA-N 2 2 321.468 3.487 20 0 DGADLP Cn1ccc2ccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc21 ZINC001240576305 1101056740 /nfs/dbraw/zinc/05/67/40/1101056740.db2.gz RHPVHPUJQXJPJG-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2ccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc21 ZINC001240576305 1101056747 /nfs/dbraw/zinc/05/67/47/1101056747.db2.gz RHPVHPUJQXJPJG-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP COc1cc(C)[nH+]cc1-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001240860906 1101162368 /nfs/dbraw/zinc/16/23/68/1101162368.db2.gz JOQMZOWFXNZBLO-UHFFFAOYSA-N 2 2 324.424 3.387 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc4ncccc43)ccn12 ZINC001240938352 1101188001 /nfs/dbraw/zinc/18/80/01/1101188001.db2.gz ZACXKEAZJXYRCE-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3ncccc32)C1 ZINC001240939329 1101188038 /nfs/dbraw/zinc/18/80/38/1101188038.db2.gz SLFWRWAKGCIUPM-MRXNPFEDSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ncccc32)C1 ZINC001240939329 1101188040 /nfs/dbraw/zinc/18/80/40/1101188040.db2.gz SLFWRWAKGCIUPM-MRXNPFEDSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(F)ccc(F)c3F)cc2)C1 ZINC001241049935 1101235824 /nfs/dbraw/zinc/23/58/24/1101235824.db2.gz SJSHFNLDHUYUKC-ZDUSSCGKSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(F)ccc(F)c3F)cc2)C1 ZINC001241049935 1101235827 /nfs/dbraw/zinc/23/58/27/1101235827.db2.gz SJSHFNLDHUYUKC-ZDUSSCGKSA-N 2 2 306.331 3.304 20 0 DGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc2c[nH]nc21 ZINC001241517448 1101529396 /nfs/dbraw/zinc/52/93/96/1101529396.db2.gz WFFKTSYXFHVIGL-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc2c[nH]nc21 ZINC001241517448 1101529402 /nfs/dbraw/zinc/52/94/02/1101529402.db2.gz WFFKTSYXFHVIGL-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1sc2nc(C[NH+](C)C)nc(C3=CCC[N@H+](C)C3)c2c1C ZINC001241567426 1101551615 /nfs/dbraw/zinc/55/16/15/1101551615.db2.gz BCJHRBRFAPJCSV-UHFFFAOYSA-N 2 2 316.474 3.089 20 0 DGADLP Cc1sc2nc(C[NH+](C)C)nc(C3=CCC[N@@H+](C)C3)c2c1C ZINC001241567426 1101551622 /nfs/dbraw/zinc/55/16/22/1101551622.db2.gz BCJHRBRFAPJCSV-UHFFFAOYSA-N 2 2 316.474 3.089 20 0 DGADLP Cc1n[nH]c2ccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001241670027 1101622954 /nfs/dbraw/zinc/62/29/54/1101622954.db2.gz BGGNXEJPIQNZJE-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001241670027 1101622959 /nfs/dbraw/zinc/62/29/59/1101622959.db2.gz BGGNXEJPIQNZJE-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001241671454 1101623799 /nfs/dbraw/zinc/62/37/99/1101623799.db2.gz WAVLRUKKOMJLGB-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001241671454 1101623806 /nfs/dbraw/zinc/62/38/06/1101623806.db2.gz WAVLRUKKOMJLGB-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001241743733 1101675023 /nfs/dbraw/zinc/67/50/23/1101675023.db2.gz OXNRRICEQSHZSG-UHFFFAOYSA-N 2 2 306.413 3.143 20 0 DGADLP Cn1ccc2c1cccc2-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241823875 1101730828 /nfs/dbraw/zinc/73/08/28/1101730828.db2.gz FJYZCUHIDXNRIN-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2c1cccc2-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241823875 1101730838 /nfs/dbraw/zinc/73/08/38/1101730838.db2.gz FJYZCUHIDXNRIN-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP Cc1cc(-c2ccc(N3CC[NH+](C(C)C)CC3)nc2)cc(C)[nH+]1 ZINC001241992471 1101840954 /nfs/dbraw/zinc/84/09/54/1101840954.db2.gz PMPQLSVFBCGSLI-UHFFFAOYSA-N 2 2 310.445 3.291 20 0 DGADLP Cc1cc(-c2ccc([C@]34CC[NH2+][C@H]3COCC4)cc2)cc(C)[nH+]1 ZINC001241992237 1101842412 /nfs/dbraw/zinc/84/24/12/1101842412.db2.gz JPYFARCDKWLUPO-VQTJNVASSA-N 2 2 308.425 3.385 20 0 DGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001198751738 1101977271 /nfs/dbraw/zinc/97/72/71/1101977271.db2.gz FRLOFDFLHSDLMK-CYBMUJFWSA-N 2 2 318.490 3.066 20 0 DGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001198751738 1101977277 /nfs/dbraw/zinc/97/72/77/1101977277.db2.gz FRLOFDFLHSDLMK-CYBMUJFWSA-N 2 2 318.490 3.066 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242285211 1102030786 /nfs/dbraw/zinc/03/07/86/1102030786.db2.gz PAODVDBPOGXJLJ-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242285211 1102030795 /nfs/dbraw/zinc/03/07/95/1102030795.db2.gz PAODVDBPOGXJLJ-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)c(COC)c1C ZINC001198907714 1102031394 /nfs/dbraw/zinc/03/13/94/1102031394.db2.gz FKMZCRKAQWIVKW-QGZVFWFLSA-N 2 2 304.478 3.332 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)c(COC)c1C ZINC001198907714 1102031401 /nfs/dbraw/zinc/03/14/01/1102031401.db2.gz FKMZCRKAQWIVKW-QGZVFWFLSA-N 2 2 304.478 3.332 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC001199038714 1102051364 /nfs/dbraw/zinc/05/13/64/1102051364.db2.gz YFMDLBNLLQWRPS-UHFFFAOYSA-N 2 2 309.885 3.372 20 0 DGADLP Cc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cnc1F ZINC001199178976 1102079552 /nfs/dbraw/zinc/07/95/52/1102079552.db2.gz PYUGYUNMDDHCSQ-UHFFFAOYSA-N 2 2 310.376 3.064 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001199208653 1102083424 /nfs/dbraw/zinc/08/34/24/1102083424.db2.gz SLVHVLNTUFJIBZ-GFCCVEGCSA-N 2 2 313.323 3.003 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccnc3C(F)(F)F)cc2)C1 ZINC001242376582 1102089581 /nfs/dbraw/zinc/08/95/81/1102089581.db2.gz IRNIABAXMAREDK-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccnc3C(F)(F)F)cc2)C1 ZINC001242376582 1102089595 /nfs/dbraw/zinc/08/95/95/1102089595.db2.gz IRNIABAXMAREDK-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H]2CCCOC2)c2ccccc2)CC1 ZINC001199640769 1102174245 /nfs/dbraw/zinc/17/42/45/1102174245.db2.gz XGIYCKBLIYHKNM-ICSRJNTNSA-N 2 2 316.489 3.476 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3-n3cccn3)cc2)C1 ZINC001242712431 1102301448 /nfs/dbraw/zinc/30/14/48/1102301448.db2.gz DBORNKZJAPJEJL-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3-n3cccn3)cc2)C1 ZINC001242712431 1102301461 /nfs/dbraw/zinc/30/14/61/1102301461.db2.gz DBORNKZJAPJEJL-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC3CC3)cc2)C1 ZINC001242794914 1102348140 /nfs/dbraw/zinc/34/81/40/1102348140.db2.gz PSXGXYDAKKVSQK-QGZVFWFLSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC3CC3)cc2)C1 ZINC001242794914 1102348154 /nfs/dbraw/zinc/34/81/54/1102348154.db2.gz PSXGXYDAKKVSQK-QGZVFWFLSA-N 2 2 308.425 3.428 20 0 DGADLP Cn1c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc2ccccc21 ZINC001243354981 1102678806 /nfs/dbraw/zinc/67/88/06/1102678806.db2.gz YHJZMCHIOKBNEV-GOSISDBHSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc2ccccc21 ZINC001243354981 1102678809 /nfs/dbraw/zinc/67/88/09/1102678809.db2.gz YHJZMCHIOKBNEV-GOSISDBHSA-N 2 2 305.425 3.378 20 0 DGADLP CCCC[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001201715244 1102697531 /nfs/dbraw/zinc/69/75/31/1102697531.db2.gz PDMIYKNTUHWAIF-UHFFFAOYSA-N 2 2 308.223 3.296 20 0 DGADLP Nc1[nH+]cccc1-c1ccc(CO[C@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC001243472859 1102742190 /nfs/dbraw/zinc/74/21/90/1102742190.db2.gz BOCQZTWVCJKWTE-IRXDYDNUSA-N 2 2 315.392 3.256 20 0 DGADLP CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202073561 1102834948 /nfs/dbraw/zinc/83/49/48/1102834948.db2.gz QZDFCYFIWMNVAK-MSOLQXFVSA-N 2 2 301.478 3.272 20 0 DGADLP CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202073561 1102834962 /nfs/dbraw/zinc/83/49/62/1102834962.db2.gz QZDFCYFIWMNVAK-MSOLQXFVSA-N 2 2 301.478 3.272 20 0 DGADLP CC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202073561 1102834977 /nfs/dbraw/zinc/83/49/77/1102834977.db2.gz QZDFCYFIWMNVAK-MSOLQXFVSA-N 2 2 301.478 3.272 20 0 DGADLP CC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202073561 1102834992 /nfs/dbraw/zinc/83/49/92/1102834992.db2.gz QZDFCYFIWMNVAK-MSOLQXFVSA-N 2 2 301.478 3.272 20 0 DGADLP CSc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c(C)n1 ZINC001243592925 1102835078 /nfs/dbraw/zinc/83/50/78/1102835078.db2.gz ALTLDZBBNOLBJC-HNNXBMFYSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c(C)n1 ZINC001243592925 1102835090 /nfs/dbraw/zinc/83/50/90/1102835090.db2.gz ALTLDZBBNOLBJC-HNNXBMFYSA-N 2 2 313.470 3.312 20 0 DGADLP c1ccc(C2CC[NH2+]CC2)c(-c2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001243902562 1103041238 /nfs/dbraw/zinc/04/12/38/1103041238.db2.gz HSWGIQWJDNXISZ-UHFFFAOYSA-N 2 2 323.440 3.052 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244145506 1103234685 /nfs/dbraw/zinc/23/46/85/1103234685.db2.gz WKCDPXFEKRDRIQ-IBGZPJMESA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244145506 1103234693 /nfs/dbraw/zinc/23/46/93/1103234693.db2.gz WKCDPXFEKRDRIQ-IBGZPJMESA-N 2 2 307.441 3.467 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3N3CCCC3)c2)C1 ZINC001244182279 1103261213 /nfs/dbraw/zinc/26/12/13/1103261213.db2.gz GCABCEWTEFWRCO-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3N3CCCC3)c2)C1 ZINC001244182279 1103261226 /nfs/dbraw/zinc/26/12/26/1103261226.db2.gz GCABCEWTEFWRCO-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2N2CCCC2)C1 ZINC001244182492 1103262112 /nfs/dbraw/zinc/26/21/12/1103262112.db2.gz KMYNSSCRFNLVBB-GOSISDBHSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2N2CCCC2)C1 ZINC001244182492 1103262122 /nfs/dbraw/zinc/26/21/22/1103262122.db2.gz KMYNSSCRFNLVBB-GOSISDBHSA-N 2 2 321.468 3.487 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001244202534 1103278416 /nfs/dbraw/zinc/27/84/16/1103278416.db2.gz SAMQTQAFGFLUSK-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1cc(Cl)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001244202534 1103278425 /nfs/dbraw/zinc/27/84/25/1103278425.db2.gz SAMQTQAFGFLUSK-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP CSC(C)(C)C[C@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258341224 1103302578 /nfs/dbraw/zinc/30/25/78/1103302578.db2.gz KPFVRTLEUJDPJK-INIZCTEOSA-N 3 2 317.587 3.112 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001326471134 1103330451 /nfs/dbraw/zinc/33/04/51/1103330451.db2.gz PTSGQXFECMAUBM-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001326471134 1103330466 /nfs/dbraw/zinc/33/04/66/1103330466.db2.gz PTSGQXFECMAUBM-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276320001 1103489987 /nfs/dbraw/zinc/48/99/87/1103489987.db2.gz MZLVHCFMAZQOBY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276320001 1103489995 /nfs/dbraw/zinc/48/99/95/1103489995.db2.gz MZLVHCFMAZQOBY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276320001 1103490003 /nfs/dbraw/zinc/49/00/03/1103490003.db2.gz MZLVHCFMAZQOBY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276320001 1103490009 /nfs/dbraw/zinc/49/00/09/1103490009.db2.gz MZLVHCFMAZQOBY-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001206616076 1103576677 /nfs/dbraw/zinc/57/66/77/1103576677.db2.gz NRBBVGBNHVDZEW-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001206616076 1103576693 /nfs/dbraw/zinc/57/66/93/1103576693.db2.gz NRBBVGBNHVDZEW-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP CCCC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001490378202 1103583104 /nfs/dbraw/zinc/58/31/04/1103583104.db2.gz AAYUHEMZRDFWER-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP CCCC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001490378202 1103583119 /nfs/dbraw/zinc/58/31/19/1103583119.db2.gz AAYUHEMZRDFWER-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP Clc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC001327512576 1103667238 /nfs/dbraw/zinc/66/72/38/1103667238.db2.gz QMLIETMJBVXIGF-RDTXWAMCSA-N 2 2 315.848 3.414 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244799332 1103692297 /nfs/dbraw/zinc/69/22/97/1103692297.db2.gz OURKJGBCMCMGRV-GOSISDBHSA-N 2 2 313.420 3.092 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244799332 1103692302 /nfs/dbraw/zinc/69/23/02/1103692302.db2.gz OURKJGBCMCMGRV-GOSISDBHSA-N 2 2 313.420 3.092 20 0 DGADLP Fc1ccc(Cl)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001245131886 1103875148 /nfs/dbraw/zinc/87/51/48/1103875148.db2.gz ZSYPUCUSQCVGCQ-UHFFFAOYSA-N 2 2 301.752 3.481 20 0 DGADLP Cc1noc2ccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001245282378 1103961844 /nfs/dbraw/zinc/96/18/44/1103961844.db2.gz OZMBDNYCMNXASO-INIZCTEOSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1noc2ccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc12 ZINC001245282378 1103961850 /nfs/dbraw/zinc/96/18/50/1103961850.db2.gz OZMBDNYCMNXASO-INIZCTEOSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1csc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001137154365 1104019686 /nfs/dbraw/zinc/01/96/86/1104019686.db2.gz FNZBMOJPRDTAJE-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1csc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001137154365 1104019693 /nfs/dbraw/zinc/01/96/93/1104019693.db2.gz FNZBMOJPRDTAJE-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1csc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001137154365 1104019701 /nfs/dbraw/zinc/01/97/01/1104019701.db2.gz FNZBMOJPRDTAJE-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1csc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001137154365 1104019710 /nfs/dbraw/zinc/01/97/10/1104019710.db2.gz FNZBMOJPRDTAJE-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP FC(F)(F)c1cnccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001245444699 1104061074 /nfs/dbraw/zinc/06/10/74/1104061074.db2.gz KCXFKRGVSFLRDB-UHFFFAOYSA-N 2 2 318.302 3.102 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3cccc(C)n23)CC1 ZINC001137200244 1104063931 /nfs/dbraw/zinc/06/39/31/1104063931.db2.gz XVCCBPBOGKXWGO-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3cccc(C)n23)CC1 ZINC001137200244 1104063942 /nfs/dbraw/zinc/06/39/42/1104063942.db2.gz XVCCBPBOGKXWGO-UHFFFAOYSA-N 2 2 314.477 3.339 20 0 DGADLP Cc1c(F)ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1F ZINC001245692277 1104196061 /nfs/dbraw/zinc/19/60/61/1104196061.db2.gz GCRVCLYTCANFOK-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1F ZINC001245692277 1104196064 /nfs/dbraw/zinc/19/60/64/1104196064.db2.gz GCRVCLYTCANFOK-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP CSc1cnc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001245762926 1104225825 /nfs/dbraw/zinc/22/58/25/1104225825.db2.gz MTISYSVZJANMHS-CQSZACIVSA-N 2 2 317.433 3.143 20 0 DGADLP CSc1cnc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001245762926 1104225831 /nfs/dbraw/zinc/22/58/31/1104225831.db2.gz MTISYSVZJANMHS-CQSZACIVSA-N 2 2 317.433 3.143 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001329503954 1104289580 /nfs/dbraw/zinc/28/95/80/1104289580.db2.gz WLQJKXCCZXCVFM-INIZCTEOSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CCCC(C)C)c(C)[nH+]1 ZINC001329503954 1104289583 /nfs/dbraw/zinc/28/95/83/1104289583.db2.gz WLQJKXCCZXCVFM-INIZCTEOSA-N 2 2 319.493 3.493 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245909626 1104303122 /nfs/dbraw/zinc/30/31/22/1104303122.db2.gz UMVKMYXTXGCUOY-GOSISDBHSA-N 3 2 309.457 3.080 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245909626 1104303134 /nfs/dbraw/zinc/30/31/34/1104303134.db2.gz UMVKMYXTXGCUOY-GOSISDBHSA-N 3 2 309.457 3.080 20 0 DGADLP CCCCC[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001246001608 1104350886 /nfs/dbraw/zinc/35/08/86/1104350886.db2.gz CCSBWEUPODNJKN-OAHLLOKOSA-N 2 2 324.896 3.450 20 0 DGADLP CCC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246070695 1104363245 /nfs/dbraw/zinc/36/32/45/1104363245.db2.gz URLRMTZJKHPMNQ-MRXNPFEDSA-N 2 2 310.869 3.055 20 0 DGADLP CCC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246070695 1104363258 /nfs/dbraw/zinc/36/32/58/1104363258.db2.gz URLRMTZJKHPMNQ-MRXNPFEDSA-N 2 2 310.869 3.055 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2OC)CC[NH2+]1 ZINC001246075118 1104369976 /nfs/dbraw/zinc/36/99/76/1104369976.db2.gz HRROATWDFJTZPC-HUUCEWRRSA-N 2 2 312.404 3.374 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246097796 1104385015 /nfs/dbraw/zinc/38/50/15/1104385015.db2.gz NAHVQAGRQICOBZ-HKUYNNGSSA-N 3 2 321.484 3.249 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246110279 1104389520 /nfs/dbraw/zinc/38/95/20/1104389520.db2.gz HZYLFYQITVTFQC-YTQUADARSA-N 3 2 319.468 3.049 20 0 DGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246114496 1104393391 /nfs/dbraw/zinc/39/33/91/1104393391.db2.gz PEJNDSOZHOEYSZ-XJKSGUPXSA-N 2 2 314.445 3.378 20 0 DGADLP CCC1CCC(C2CCC([NH2+][C@H]3CCOC34C[NH2+]C4)CC2)CC1 ZINC001246127657 1104398128 /nfs/dbraw/zinc/39/81/28/1104398128.db2.gz OSOOQAVYIFPNNM-VEGHNBABSA-N 2 2 320.521 3.482 20 0 DGADLP Fc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)C2 ZINC001246142619 1104404788 /nfs/dbraw/zinc/40/47/88/1104404788.db2.gz NJEUAVCPXPVYDF-DBVUQKKJSA-N 2 2 310.416 3.376 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cccc(C(F)(F)F)c2F)C[C@@H](C)[NH2+]1 ZINC001246161746 1104411436 /nfs/dbraw/zinc/41/14/36/1104411436.db2.gz LHSXHUBNQWEKQI-NXEZZACHSA-N 2 2 304.331 3.463 20 0 DGADLP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246178119 1104422858 /nfs/dbraw/zinc/42/28/58/1104422858.db2.gz NMNQOHJZBAFNTE-PMACEKPBSA-N 3 2 315.505 3.463 20 0 DGADLP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246178119 1104422864 /nfs/dbraw/zinc/42/28/64/1104422864.db2.gz NMNQOHJZBAFNTE-PMACEKPBSA-N 3 2 315.505 3.463 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246187657 1104427629 /nfs/dbraw/zinc/42/76/29/1104427629.db2.gz PHJLKOOIYUKFBI-CRAIPNDOSA-N 2 2 314.404 3.417 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246187397 1104428355 /nfs/dbraw/zinc/42/83/55/1104428355.db2.gz ZPBFZOWANWFEEU-DOMZBBRYSA-N 2 2 318.358 3.318 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246234813 1104451090 /nfs/dbraw/zinc/45/10/90/1104451090.db2.gz MZXUFQONTFKWDE-IAQYHMDHSA-N 2 2 302.796 3.484 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC001330027031 1104456260 /nfs/dbraw/zinc/45/62/60/1104456260.db2.gz FFSVNBFXFLOWBN-UHFFFAOYSA-N 2 2 319.412 3.376 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(-c3ccccc3)cc2)C[NH2+]1 ZINC001246251498 1104458792 /nfs/dbraw/zinc/45/87/92/1104458792.db2.gz PJQDFZQBZMBOLU-VQIMIIECSA-N 2 2 310.441 3.463 20 0 DGADLP c1ccc(-c2ccc(OCC[NH2+][C@H]3CCCC[NH2+]C3)cc2)cc1 ZINC001246248607 1104458841 /nfs/dbraw/zinc/45/88/41/1104458841.db2.gz GUAUCERVBCHGTG-IBGZPJMESA-N 2 2 310.441 3.464 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279456 1104470722 /nfs/dbraw/zinc/47/07/22/1104470722.db2.gz MNVUVFAOKDOMKG-MAUKXSAKSA-N 2 2 300.833 3.487 20 0 DGADLP CC[C@@H]1CC([NH2+]Cc2ccc(Br)o2)C[C@@H](CC)[NH2+]1 ZINC001246324135 1104489123 /nfs/dbraw/zinc/48/91/23/1104489123.db2.gz FOVIXCHHSHGLIF-GHMZBOCLSA-N 2 2 315.255 3.441 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)c2cccc(Br)c2)C[NH2+]1 ZINC001246327344 1104491008 /nfs/dbraw/zinc/49/10/08/1104491008.db2.gz MIDPIKNFRHNNIP-BXUZGUMPSA-N 2 2 311.267 3.414 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336813 1104497499 /nfs/dbraw/zinc/49/74/99/1104497499.db2.gz QDBQTEITARJMPZ-LMCOJAPRSA-N 3 2 317.521 3.393 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336813 1104497502 /nfs/dbraw/zinc/49/75/02/1104497502.db2.gz QDBQTEITARJMPZ-LMCOJAPRSA-N 3 2 317.521 3.393 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCC3)n2)C[C@H](CC)[NH2+]1 ZINC001246372227 1104512965 /nfs/dbraw/zinc/51/29/65/1104512965.db2.gz YMDHXXATBLJPDI-QLPKVWCKSA-N 2 2 317.477 3.412 20 0 DGADLP CCCC[C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2Cl)CC[NH2+]1 ZINC001246396312 1104526287 /nfs/dbraw/zinc/52/62/87/1104526287.db2.gz OQNGPWWDFCMBCK-JJRVBVJISA-N 2 2 310.869 3.274 20 0 DGADLP COc1ccccc1C1([NH2+][C@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001246400810 1104527666 /nfs/dbraw/zinc/52/76/66/1104527666.db2.gz AHQQLFMUDHWITJ-AWEZNQCLSA-N 2 2 324.415 3.441 20 0 DGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccccc1C(F)(F)F)C2 ZINC001274886710 1104529710 /nfs/dbraw/zinc/52/97/10/1104529710.db2.gz LQQQLYCWBBCLMG-HIFRSBDPSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccccc1C(F)(F)F)C2 ZINC001274886710 1104529712 /nfs/dbraw/zinc/52/97/12/1104529712.db2.gz LQQQLYCWBBCLMG-HIFRSBDPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001274886710 1104529718 /nfs/dbraw/zinc/52/97/18/1104529718.db2.gz LQQQLYCWBBCLMG-HIFRSBDPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001274886710 1104529723 /nfs/dbraw/zinc/52/97/23/1104529723.db2.gz LQQQLYCWBBCLMG-HIFRSBDPSA-N 2 2 312.379 3.274 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCc3ccccc3CC2)c1 ZINC001246513125 1104572309 /nfs/dbraw/zinc/57/23/09/1104572309.db2.gz VTGBIWJIPYGGND-HXUWFJFHSA-N 2 2 310.441 3.232 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC001246527148 1104577364 /nfs/dbraw/zinc/57/73/64/1104577364.db2.gz RUQIJOPFGGLNEF-YOEHRIQHSA-N 2 2 306.450 3.277 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554279 1104592996 /nfs/dbraw/zinc/59/29/96/1104592996.db2.gz DOBJYOKWULQUSX-JQWIXIFHSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554279 1104593002 /nfs/dbraw/zinc/59/30/02/1104593002.db2.gz DOBJYOKWULQUSX-JQWIXIFHSA-N 2 2 320.786 3.326 20 0 DGADLP Clc1ccc(OC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246584625 1104605446 /nfs/dbraw/zinc/60/54/46/1104605446.db2.gz BUHHEQFAUKPYMB-OAHLLOKOSA-N 2 2 308.853 3.325 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246599547 1104616472 /nfs/dbraw/zinc/61/64/72/1104616472.db2.gz DJWLRXLMYLFEFA-BBRMVZONSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246599547 1104616475 /nfs/dbraw/zinc/61/64/75/1104616475.db2.gz DJWLRXLMYLFEFA-BBRMVZONSA-N 2 2 323.278 3.208 20 0 DGADLP COc1cccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001246613767 1104628832 /nfs/dbraw/zinc/62/88/32/1104628832.db2.gz MGEWOTWONWNFQX-APWZRJJASA-N 2 2 302.462 3.234 20 0 DGADLP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001246613767 1104628833 /nfs/dbraw/zinc/62/88/33/1104628833.db2.gz MGEWOTWONWNFQX-APWZRJJASA-N 2 2 302.462 3.234 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631465 1104636629 /nfs/dbraw/zinc/63/66/29/1104636629.db2.gz PNUKGUVNGBAKCY-OHUAYANFSA-N 2 2 314.807 3.233 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631465 1104636639 /nfs/dbraw/zinc/63/66/39/1104636639.db2.gz PNUKGUVNGBAKCY-OHUAYANFSA-N 2 2 314.807 3.233 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632843 1104638107 /nfs/dbraw/zinc/63/81/07/1104638107.db2.gz ZRHXVWDULZNLTN-NSHDSACASA-N 2 2 314.807 3.235 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632843 1104638110 /nfs/dbraw/zinc/63/81/10/1104638110.db2.gz ZRHXVWDULZNLTN-NSHDSACASA-N 2 2 314.807 3.235 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632841 1104638144 /nfs/dbraw/zinc/63/81/44/1104638144.db2.gz ZRHXVWDULZNLTN-LLVKDONJSA-N 2 2 314.807 3.235 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246632841 1104638150 /nfs/dbraw/zinc/63/81/50/1104638150.db2.gz ZRHXVWDULZNLTN-LLVKDONJSA-N 2 2 314.807 3.235 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637474 1104640912 /nfs/dbraw/zinc/64/09/12/1104640912.db2.gz ZAHWKZVJVVPXEN-SJLPKXTDSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637474 1104640916 /nfs/dbraw/zinc/64/09/16/1104640916.db2.gz ZAHWKZVJVVPXEN-SJLPKXTDSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246653448 1104649769 /nfs/dbraw/zinc/64/97/69/1104649769.db2.gz SZYPPPORYGSJET-QZTJIDSGSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246653448 1104649773 /nfs/dbraw/zinc/64/97/73/1104649773.db2.gz SZYPPPORYGSJET-QZTJIDSGSA-N 2 2 304.865 3.415 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246660539 1104652236 /nfs/dbraw/zinc/65/22/36/1104652236.db2.gz CBLAJXZSRZRLKZ-SESVDKBCSA-N 2 2 322.427 3.254 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246660539 1104652239 /nfs/dbraw/zinc/65/22/39/1104652239.db2.gz CBLAJXZSRZRLKZ-SESVDKBCSA-N 2 2 322.427 3.254 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@@H]31)C2 ZINC001246662575 1104652352 /nfs/dbraw/zinc/65/23/52/1104652352.db2.gz IHXUUAPGEOGBEA-MAZHCROVSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@@H]31)C2 ZINC001246662575 1104652358 /nfs/dbraw/zinc/65/23/58/1104652358.db2.gz IHXUUAPGEOGBEA-MAZHCROVSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cccc(OC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246781474 1104671051 /nfs/dbraw/zinc/67/10/51/1104671051.db2.gz FXQKURTWILQATQ-HNNXBMFYSA-N 2 2 308.853 3.325 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782025 1104672296 /nfs/dbraw/zinc/67/22/96/1104672296.db2.gz WRARHNSSZZAPLO-IRXDYDNUSA-N 2 2 319.468 3.259 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275212640 1104678476 /nfs/dbraw/zinc/67/84/76/1104678476.db2.gz USQMKZZRSNNXGG-GOSISDBHSA-N 2 2 302.466 3.030 20 0 DGADLP c1n[nH]cc1C[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001275212640 1104678479 /nfs/dbraw/zinc/67/84/79/1104678479.db2.gz USQMKZZRSNNXGG-GOSISDBHSA-N 2 2 302.466 3.030 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001275212640 1104678483 /nfs/dbraw/zinc/67/84/83/1104678483.db2.gz USQMKZZRSNNXGG-GOSISDBHSA-N 2 2 302.466 3.030 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001275212640 1104678488 /nfs/dbraw/zinc/67/84/88/1104678488.db2.gz USQMKZZRSNNXGG-GOSISDBHSA-N 2 2 302.466 3.030 20 0 DGADLP Clc1ccccc1N1CC[NH+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246810466 1104685453 /nfs/dbraw/zinc/68/54/53/1104685453.db2.gz NIZSEPOHGRFJLM-HNNXBMFYSA-N 2 2 319.880 3.137 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815329 1104689043 /nfs/dbraw/zinc/68/90/43/1104689043.db2.gz XYYLGVBKYBTSEK-CMPLNLGQSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246815329 1104689045 /nfs/dbraw/zinc/68/90/45/1104689045.db2.gz XYYLGVBKYBTSEK-CMPLNLGQSA-N 2 2 315.230 3.161 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824985 1104692900 /nfs/dbraw/zinc/69/29/00/1104692900.db2.gz RMHLDLCUGJUXDB-CVEARBPZSA-N 2 2 308.466 3.446 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824985 1104692905 /nfs/dbraw/zinc/69/29/05/1104692905.db2.gz RMHLDLCUGJUXDB-CVEARBPZSA-N 2 2 308.466 3.446 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824953 1104693148 /nfs/dbraw/zinc/69/31/48/1104693148.db2.gz RFVVCWXJZQAUSU-ZACQAIPSSA-N 2 2 308.466 3.446 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824953 1104693152 /nfs/dbraw/zinc/69/31/52/1104693152.db2.gz RFVVCWXJZQAUSU-ZACQAIPSSA-N 2 2 308.466 3.446 20 0 DGADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275266898 1104697594 /nfs/dbraw/zinc/69/75/94/1104697594.db2.gz YAJPKIDRFUURHR-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001275266898 1104697600 /nfs/dbraw/zinc/69/76/00/1104697600.db2.gz YAJPKIDRFUURHR-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001275266898 1104697605 /nfs/dbraw/zinc/69/76/05/1104697605.db2.gz YAJPKIDRFUURHR-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(OC)c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001275266898 1104697611 /nfs/dbraw/zinc/69/76/11/1104697611.db2.gz YAJPKIDRFUURHR-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)[C@H]1CCCC[NH2+]C1 ZINC001246838163 1104700153 /nfs/dbraw/zinc/70/01/53/1104700153.db2.gz BOOZTXLLXFSGON-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CCCC[NH2+]C1 ZINC001246838163 1104700158 /nfs/dbraw/zinc/70/01/58/1104700158.db2.gz BOOZTXLLXFSGON-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)CCO2)cc1 ZINC001246839780 1104701352 /nfs/dbraw/zinc/70/13/52/1104701352.db2.gz LYYSESUEJHMSHR-UKBAYJJMSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)CCO2)cc1 ZINC001246839780 1104701361 /nfs/dbraw/zinc/70/13/61/1104701361.db2.gz LYYSESUEJHMSHR-UKBAYJJMSA-N 2 2 302.462 3.071 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292311 1104708529 /nfs/dbraw/zinc/70/85/29/1104708529.db2.gz XRXOGPKURZSSFB-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292311 1104708539 /nfs/dbraw/zinc/70/85/39/1104708539.db2.gz XRXOGPKURZSSFB-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292311 1104708545 /nfs/dbraw/zinc/70/85/45/1104708545.db2.gz XRXOGPKURZSSFB-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccnn3-c3ccccc3)C2)C1 ZINC001275292311 1104708554 /nfs/dbraw/zinc/70/85/54/1104708554.db2.gz XRXOGPKURZSSFB-HXUWFJFHSA-N 2 2 324.472 3.180 20 0 DGADLP C[C@H]1CC[C@@H]([NH+]2CCC(Cc3ccc(F)cc3F)CC2)C[NH2+]1 ZINC001246869929 1104714638 /nfs/dbraw/zinc/71/46/38/1104714638.db2.gz JECGERJGLLYRNO-SUMWQHHRSA-N 2 2 308.416 3.360 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913826 1104735690 /nfs/dbraw/zinc/73/56/90/1104735690.db2.gz HCDXPXCAGPZNEM-ZWKOTPCHSA-N 2 2 316.445 3.100 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913826 1104735694 /nfs/dbraw/zinc/73/56/94/1104735694.db2.gz HCDXPXCAGPZNEM-ZWKOTPCHSA-N 2 2 316.445 3.100 20 0 DGADLP C[C@H](Cc1ccccn1)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920107 1104738576 /nfs/dbraw/zinc/73/85/76/1104738576.db2.gz JEWSCXJOBVTHSM-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccccn1)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246920107 1104738582 /nfs/dbraw/zinc/73/85/82/1104738582.db2.gz JEWSCXJOBVTHSM-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246933606 1104742350 /nfs/dbraw/zinc/74/23/50/1104742350.db2.gz HJJCIZOIFMKLIL-WTLGNFPFSA-N 2 2 320.452 3.336 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246933606 1104742354 /nfs/dbraw/zinc/74/23/54/1104742354.db2.gz HJJCIZOIFMKLIL-WTLGNFPFSA-N 2 2 320.452 3.336 20 0 DGADLP Fc1ccc(C[N@H+](C2CCSCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246940439 1104745339 /nfs/dbraw/zinc/74/53/39/1104745339.db2.gz DJNNOHDIQKYCBT-QGZVFWFLSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1ccc(C[N@@H+](C2CCSCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246940439 1104745340 /nfs/dbraw/zinc/74/53/40/1104745340.db2.gz DJNNOHDIQKYCBT-QGZVFWFLSA-N 2 2 308.466 3.275 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCC[NH2+]C2)cc1 ZINC001246949704 1104749924 /nfs/dbraw/zinc/74/99/24/1104749924.db2.gz PPAFMADXEUKJAB-ZFWWWQNUSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH2+]C2)cc1 ZINC001246949704 1104749927 /nfs/dbraw/zinc/74/99/27/1104749927.db2.gz PPAFMADXEUKJAB-ZFWWWQNUSA-N 2 2 314.351 3.474 20 0 DGADLP CC1(C)C[C@@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CO1 ZINC001246951048 1104750132 /nfs/dbraw/zinc/75/01/32/1104750132.db2.gz HUSBUZZYEUHFKK-MRXNPFEDSA-N 2 2 322.880 3.462 20 0 DGADLP CC1(C)C[C@@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CO1 ZINC001246951048 1104750135 /nfs/dbraw/zinc/75/01/35/1104750135.db2.gz HUSBUZZYEUHFKK-MRXNPFEDSA-N 2 2 322.880 3.462 20 0 DGADLP Cc1ccc(C[N@H+]([C@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246959137 1104752853 /nfs/dbraw/zinc/75/28/53/1104752853.db2.gz UWFHGRBYWLGOTB-QGZVFWFLSA-N 2 2 320.452 3.256 20 0 DGADLP Cc1ccc(C[N@@H+]([C@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246959137 1104752857 /nfs/dbraw/zinc/75/28/57/1104752857.db2.gz UWFHGRBYWLGOTB-QGZVFWFLSA-N 2 2 320.452 3.256 20 0 DGADLP COC(=O)CCCC[C@@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975221 1104757824 /nfs/dbraw/zinc/75/78/24/1104757824.db2.gz BKBLUSKHJBDCCL-NVXWUHKLSA-N 2 2 310.482 3.105 20 0 DGADLP COC(=O)CCCC[C@@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975221 1104757829 /nfs/dbraw/zinc/75/78/29/1104757829.db2.gz BKBLUSKHJBDCCL-NVXWUHKLSA-N 2 2 310.482 3.105 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975970 1104757875 /nfs/dbraw/zinc/75/78/75/1104757875.db2.gz DQTNTVSKLJPVDR-WBVHZDCISA-N 2 2 310.482 3.105 20 0 DGADLP CCOC(=O)CCC[C@@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975970 1104757878 /nfs/dbraw/zinc/75/78/78/1104757878.db2.gz DQTNTVSKLJPVDR-WBVHZDCISA-N 2 2 310.482 3.105 20 0 DGADLP c1ccc([C@H]2C[C@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974981 1104758674 /nfs/dbraw/zinc/75/86/74/1104758674.db2.gz LMEWEFDGNGALRP-WOJBJXKFSA-N 3 2 313.489 3.086 20 0 DGADLP c1ccc([C@H]2C[C@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974981 1104758678 /nfs/dbraw/zinc/75/86/78/1104758678.db2.gz LMEWEFDGNGALRP-WOJBJXKFSA-N 3 2 313.489 3.086 20 0 DGADLP CCOC(=O)CCC[C@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975966 1104758895 /nfs/dbraw/zinc/75/88/95/1104758895.db2.gz DQTNTVSKLJPVDR-DOTOQJQBSA-N 2 2 310.482 3.105 20 0 DGADLP CCOC(=O)CCC[C@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975966 1104758899 /nfs/dbraw/zinc/75/88/99/1104758899.db2.gz DQTNTVSKLJPVDR-DOTOQJQBSA-N 2 2 310.482 3.105 20 0 DGADLP C1C[C@@H]([N@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246979182 1104761607 /nfs/dbraw/zinc/76/16/07/1104761607.db2.gz NZOKTSDSIHPMGX-LJQANCHMSA-N 3 2 319.537 3.295 20 0 DGADLP C1C[C@@H]([N@@H+](C2CCCCC2)C2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246979182 1104761611 /nfs/dbraw/zinc/76/16/11/1104761611.db2.gz NZOKTSDSIHPMGX-LJQANCHMSA-N 3 2 319.537 3.295 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246995343 1104769207 /nfs/dbraw/zinc/76/92/07/1104769207.db2.gz UGNJDZYNSDXJFU-ZWKOTPCHSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246995343 1104769213 /nfs/dbraw/zinc/76/92/13/1104769213.db2.gz UGNJDZYNSDXJFU-ZWKOTPCHSA-N 2 2 324.424 3.340 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002262 1104772952 /nfs/dbraw/zinc/77/29/52/1104772952.db2.gz SRXYVVNRGOCPFA-OIISXLGYSA-N 2 2 302.462 3.404 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002262 1104772959 /nfs/dbraw/zinc/77/29/59/1104772959.db2.gz SRXYVVNRGOCPFA-OIISXLGYSA-N 2 2 302.462 3.404 20 0 DGADLP Fc1cccc2c1C[C@H]([NH+]1CCC3(CC1)[NH2+]Cc1ccccc13)C2 ZINC001247016814 1104780133 /nfs/dbraw/zinc/78/01/33/1104780133.db2.gz YACUYEQYCMWHJA-QGZVFWFLSA-N 2 2 322.427 3.387 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC001275924538 1104957479 /nfs/dbraw/zinc/95/74/79/1104957479.db2.gz UYOMCEUNUHGUFH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC001275924538 1104957485 /nfs/dbraw/zinc/95/74/85/1104957485.db2.gz UYOMCEUNUHGUFH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC001275924538 1104957489 /nfs/dbraw/zinc/95/74/89/1104957489.db2.gz UYOMCEUNUHGUFH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC001275924538 1104957493 /nfs/dbraw/zinc/95/74/93/1104957493.db2.gz UYOMCEUNUHGUFH-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP C[NH2+]C1CCC(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC001247715041 1104962595 /nfs/dbraw/zinc/96/25/95/1104962595.db2.gz VHUPFRDWVKNMTK-UHFFFAOYSA-N 2 2 323.400 3.168 20 0 DGADLP C[C@H]1CC(C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017641 1104988856 /nfs/dbraw/zinc/98/88/56/1104988856.db2.gz CVDHUSJDKJOYHX-RIVXBTQJSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@H]1CC(C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017641 1104988859 /nfs/dbraw/zinc/98/88/59/1104988859.db2.gz CVDHUSJDKJOYHX-RIVXBTQJSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@H]1CC(C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017641 1104988864 /nfs/dbraw/zinc/98/88/64/1104988864.db2.gz CVDHUSJDKJOYHX-RIVXBTQJSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@H]1CC(C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)C[C@H](C)O1 ZINC001276017641 1104988869 /nfs/dbraw/zinc/98/88/69/1104988869.db2.gz CVDHUSJDKJOYHX-RIVXBTQJSA-N 2 2 306.494 3.139 20 0 DGADLP C[C@@H]1C[C@H]1C[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001276032461 1104991965 /nfs/dbraw/zinc/99/19/65/1104991965.db2.gz NPPBDYFQCAJONT-CVEARBPZSA-N 2 2 324.472 3.117 20 0 DGADLP c1cc2cccc(-c3noc([C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)n3)c2o1 ZINC001247868223 1105003230 /nfs/dbraw/zinc/00/32/30/1105003230.db2.gz NNLIAKLLINXUTE-CQSZACIVSA-N 2 2 324.384 3.030 20 0 DGADLP c1cn2ccc(CN3CCCC4(C[NH+](C5CCCC5)C4)C3)cc2[nH+]1 ZINC001276209796 1105048788 /nfs/dbraw/zinc/04/87/88/1105048788.db2.gz KVSGJHMQIDMBMU-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP C[NH2+][C@H](CC(C)C)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248205861 1105068352 /nfs/dbraw/zinc/06/83/52/1105068352.db2.gz OASDCBYZPNFLOE-CQSZACIVSA-N 2 2 311.389 3.229 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Br)C[C@@H]2C1 ZINC001248624188 1105138180 /nfs/dbraw/zinc/13/81/80/1105138180.db2.gz MFXIFNZUIIWMJH-OKILXGFUSA-N 2 2 323.278 3.141 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Br)C[C@@H]2C1 ZINC001248624188 1105138181 /nfs/dbraw/zinc/13/81/81/1105138181.db2.gz MFXIFNZUIIWMJH-OKILXGFUSA-N 2 2 323.278 3.141 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cccc3Br)C[C@@H]2C1 ZINC001248624188 1105138184 /nfs/dbraw/zinc/13/81/84/1105138184.db2.gz MFXIFNZUIIWMJH-OKILXGFUSA-N 2 2 323.278 3.141 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cccc3Br)C[C@@H]2C1 ZINC001248624188 1105138185 /nfs/dbraw/zinc/13/81/85/1105138185.db2.gz MFXIFNZUIIWMJH-OKILXGFUSA-N 2 2 323.278 3.141 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cs1 ZINC001248802456 1105164969 /nfs/dbraw/zinc/16/49/69/1105164969.db2.gz HGUTZJJXDKTGDA-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP Fc1cc2cc[nH]c2c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001249521869 1105304977 /nfs/dbraw/zinc/30/49/77/1105304977.db2.gz FQAHBYXIEHJZOW-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206575743 1105464356 /nfs/dbraw/zinc/46/43/56/1105464356.db2.gz XOJOWZCJDAUPOP-QGZVFWFLSA-N 2 2 312.404 3.314 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206575743 1105464358 /nfs/dbraw/zinc/46/43/58/1105464358.db2.gz XOJOWZCJDAUPOP-QGZVFWFLSA-N 2 2 312.404 3.314 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccncc2)c1 ZINC001137395090 1105512908 /nfs/dbraw/zinc/51/29/08/1105512908.db2.gz NCVMHADCGWHJAC-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccncc2)c1 ZINC001137395090 1105512914 /nfs/dbraw/zinc/51/29/14/1105512914.db2.gz NCVMHADCGWHJAC-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP C[NH+]1CCN(c2cccc3[nH+]c(CC4CCCCC4)[nH]c32)CC1 ZINC001250540700 1105534872 /nfs/dbraw/zinc/53/48/72/1105534872.db2.gz PZGXFHVCFKISIF-UHFFFAOYSA-N 2 2 312.461 3.438 20 0 DGADLP C[NH+]1CCN(c2cccc3[nH+]c(Cc4ccccc4F)[nH]c32)CC1 ZINC001250552710 1105536465 /nfs/dbraw/zinc/53/64/65/1105536465.db2.gz KWGVYSSDBQLSNA-UHFFFAOYSA-N 2 2 324.403 3.045 20 0 DGADLP O[C@H](C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1)c1ccccc1 ZINC001252013746 1105725424 /nfs/dbraw/zinc/72/54/24/1105725424.db2.gz YGYMADJEZCCJGC-LEWJYISDSA-N 2 2 324.468 3.017 20 0 DGADLP CCCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001252096087 1105738173 /nfs/dbraw/zinc/73/81/73/1105738173.db2.gz IRYCGUQXVUVZKF-IBGZPJMESA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001252096087 1105738177 /nfs/dbraw/zinc/73/81/77/1105738177.db2.gz IRYCGUQXVUVZKF-IBGZPJMESA-N 2 2 322.468 3.273 20 0 DGADLP C[NH+]1CCC([N@H+](C[C@H](O)c2ccc(F)cc2)C2CCCC2)CC1 ZINC001252848584 1105842114 /nfs/dbraw/zinc/84/21/14/1105842114.db2.gz QNHXMCZKPWBKDV-IBGZPJMESA-N 2 2 320.452 3.198 20 0 DGADLP C[NH+]1CCC([N@@H+](C[C@H](O)c2ccc(F)cc2)C2CCCC2)CC1 ZINC001252848584 1105842117 /nfs/dbraw/zinc/84/21/17/1105842117.db2.gz QNHXMCZKPWBKDV-IBGZPJMESA-N 2 2 320.452 3.198 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1F ZINC001253211686 1105903992 /nfs/dbraw/zinc/90/39/92/1105903992.db2.gz JQOPVFBJCYHFSF-VQIMIIECSA-N 2 2 322.468 3.349 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1F ZINC001253210412 1105904053 /nfs/dbraw/zinc/90/40/53/1105904053.db2.gz MMIQFPBUSXVPBC-YJBOKZPZSA-N 2 2 310.457 3.205 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1ccccc1F ZINC001253410235 1105936435 /nfs/dbraw/zinc/93/64/35/1105936435.db2.gz DDBYPKRKOFYWJT-YOEHRIQHSA-N 2 2 308.441 3.006 20 0 DGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](C4CCC5(CC5)CC4)C[C@@H]3C2)c1 ZINC001254442239 1106070646 /nfs/dbraw/zinc/07/06/46/1106070646.db2.gz DTZAXZCFAPENIY-ROUUACIJSA-N 2 2 311.473 3.168 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447429 1106072226 /nfs/dbraw/zinc/07/22/26/1106072226.db2.gz GWGNIOAYQCGGMF-FUHWJXTLSA-N 2 2 314.408 3.344 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447429 1106072229 /nfs/dbraw/zinc/07/22/29/1106072229.db2.gz GWGNIOAYQCGGMF-FUHWJXTLSA-N 2 2 314.408 3.344 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@H]3CCC[N@@H+](C)CC3)CCO2)cc1 ZINC001254526152 1106092172 /nfs/dbraw/zinc/09/21/72/1106092172.db2.gz OSAGSZAVCOSWIP-OALUTQOASA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@H]3CCC[N@H+](C)CC3)CCO2)cc1 ZINC001254526152 1106092178 /nfs/dbraw/zinc/09/21/78/1106092178.db2.gz OSAGSZAVCOSWIP-OALUTQOASA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526152 1106092183 /nfs/dbraw/zinc/09/21/83/1106092183.db2.gz OSAGSZAVCOSWIP-OALUTQOASA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526152 1106092189 /nfs/dbraw/zinc/09/21/89/1106092189.db2.gz OSAGSZAVCOSWIP-OALUTQOASA-N 2 2 302.462 3.027 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525165 1106092902 /nfs/dbraw/zinc/09/29/02/1106092902.db2.gz GVSBILDUCIQKAJ-IRXDYDNUSA-N 2 2 308.466 3.400 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525165 1106092906 /nfs/dbraw/zinc/09/29/06/1106092906.db2.gz GVSBILDUCIQKAJ-IRXDYDNUSA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525165 1106092911 /nfs/dbraw/zinc/09/29/11/1106092911.db2.gz GVSBILDUCIQKAJ-IRXDYDNUSA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525165 1106092917 /nfs/dbraw/zinc/09/29/17/1106092917.db2.gz GVSBILDUCIQKAJ-IRXDYDNUSA-N 2 2 308.466 3.400 20 0 DGADLP C[N@H+]([C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254531893 1106096608 /nfs/dbraw/zinc/09/66/08/1106096608.db2.gz MRAQUULSHHCQBP-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP C[N@@H+]([C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH+](C)CC1 ZINC001254531893 1106096614 /nfs/dbraw/zinc/09/66/14/1106096614.db2.gz MRAQUULSHHCQBP-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254531893 1106096617 /nfs/dbraw/zinc/09/66/17/1106096617.db2.gz MRAQUULSHHCQBP-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP C[NH+]([C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531893 1106096623 /nfs/dbraw/zinc/09/66/23/1106096623.db2.gz MRAQUULSHHCQBP-PMACEKPBSA-N 2 2 315.505 3.067 20 0 DGADLP Brc1ccccc1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254833344 1106145510 /nfs/dbraw/zinc/14/55/10/1106145510.db2.gz PCQHHMAGJNFUSR-OAHLLOKOSA-N 2 2 323.278 3.066 20 0 DGADLP COc1cccc(CC(C)(C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254847805 1106147901 /nfs/dbraw/zinc/14/79/01/1106147901.db2.gz JANGBLJZZUXJMY-KRWDZBQOSA-N 2 2 302.462 3.090 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254849186 1106148978 /nfs/dbraw/zinc/14/89/78/1106148978.db2.gz SEIRMNJPLPJEBQ-QZTJIDSGSA-N 2 2 304.865 3.271 20 0 DGADLP Oc1ccc(C[NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC001255016658 1106165890 /nfs/dbraw/zinc/16/58/90/1106165890.db2.gz UGEQZSAXOLTFLP-UHFFFAOYSA-N 2 2 322.452 3.114 20 0 DGADLP Cc1nocc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122865 1106183808 /nfs/dbraw/zinc/18/38/08/1106183808.db2.gz WNAXFQDYRYOOBE-REPLKXPHSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1nocc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122865 1106183811 /nfs/dbraw/zinc/18/38/11/1106183811.db2.gz WNAXFQDYRYOOBE-REPLKXPHSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1nccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001255128049 1106184811 /nfs/dbraw/zinc/18/48/11/1106184811.db2.gz JNULVSICDOKDNK-ACDBMABISA-N 2 2 322.456 3.070 20 0 DGADLP Cc1nccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255128049 1106184816 /nfs/dbraw/zinc/18/48/16/1106184816.db2.gz JNULVSICDOKDNK-ACDBMABISA-N 2 2 322.456 3.070 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127730 1106185437 /nfs/dbraw/zinc/18/54/37/1106185437.db2.gz BYTVEWPMIVNERK-KANFNMMFSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127730 1106185439 /nfs/dbraw/zinc/18/54/39/1106185439.db2.gz BYTVEWPMIVNERK-KANFNMMFSA-N 2 2 322.456 3.323 20 0 DGADLP CC1(C)COCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142052 1106189074 /nfs/dbraw/zinc/18/90/74/1106189074.db2.gz AALHFMWCTWXCBW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)COCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255142052 1106189077 /nfs/dbraw/zinc/18/90/77/1106189077.db2.gz AALHFMWCTWXCBW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)COCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255142052 1106189079 /nfs/dbraw/zinc/18/90/79/1106189079.db2.gz AALHFMWCTWXCBW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)COCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142052 1106189084 /nfs/dbraw/zinc/18/90/84/1106189084.db2.gz AALHFMWCTWXCBW-REPLKXPHSA-N 2 2 314.473 3.293 20 0 DGADLP CC(C)(C)[NH+]1CC(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255393533 1106240756 /nfs/dbraw/zinc/24/07/56/1106240756.db2.gz SDTODIBTOYPGIX-SFHVURJKSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(C)[NH+]1CC(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393533 1106240757 /nfs/dbraw/zinc/24/07/57/1106240757.db2.gz SDTODIBTOYPGIX-SFHVURJKSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(C)N1CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255393533 1106240758 /nfs/dbraw/zinc/24/07/58/1106240758.db2.gz SDTODIBTOYPGIX-SFHVURJKSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(C)N1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393533 1106240759 /nfs/dbraw/zinc/24/07/59/1106240759.db2.gz SDTODIBTOYPGIX-SFHVURJKSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394337 1106241042 /nfs/dbraw/zinc/24/10/42/1106241042.db2.gz VPFWBXRCMXMHJR-FUHWJXTLSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394337 1106241045 /nfs/dbraw/zinc/24/10/45/1106241045.db2.gz VPFWBXRCMXMHJR-FUHWJXTLSA-N 2 2 310.445 3.182 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393017 1106241840 /nfs/dbraw/zinc/24/18/40/1106241840.db2.gz KIKGFODNBXQTAC-MSOLQXFVSA-N 2 2 300.446 3.142 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393017 1106241842 /nfs/dbraw/zinc/24/18/42/1106241842.db2.gz KIKGFODNBXQTAC-MSOLQXFVSA-N 2 2 300.446 3.142 20 0 DGADLP C[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397827 1106242748 /nfs/dbraw/zinc/24/27/48/1106242748.db2.gz HOUCLBGYXITDJU-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397827 1106242751 /nfs/dbraw/zinc/24/27/51/1106242751.db2.gz HOUCLBGYXITDJU-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397827 1106242753 /nfs/dbraw/zinc/24/27/53/1106242753.db2.gz HOUCLBGYXITDJU-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397827 1106242756 /nfs/dbraw/zinc/24/27/56/1106242756.db2.gz HOUCLBGYXITDJU-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)C2CCCCCC2)cc[nH+]1 ZINC001255894471 1106341363 /nfs/dbraw/zinc/34/13/63/1106341363.db2.gz UXKYWVHJUDQBSH-UHFFFAOYSA-N 2 2 303.450 3.371 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953611 1106348834 /nfs/dbraw/zinc/34/88/34/1106348834.db2.gz LVFNAERBOZRSAM-KZNAEPCWSA-N 3 2 318.509 3.278 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001255953498 1106349258 /nfs/dbraw/zinc/34/92/58/1106349258.db2.gz RUDFECCFLXHQHF-OAHLLOKOSA-N 3 2 300.450 3.302 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCOc2c(F)cc(F)cc21 ZINC001255953963 1106349296 /nfs/dbraw/zinc/34/92/96/1106349296.db2.gz XLZWZZYWQXINNJ-LRDDRELGSA-N 2 2 312.404 3.498 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255968673 1106352160 /nfs/dbraw/zinc/35/21/60/1106352160.db2.gz FGNZUZCCZUWZAQ-QGZVFWFLSA-N 3 2 309.542 3.446 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255968673 1106352162 /nfs/dbraw/zinc/35/21/62/1106352162.db2.gz FGNZUZCCZUWZAQ-QGZVFWFLSA-N 3 2 309.542 3.446 20 0 DGADLP Fc1cc(F)c2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256073804 1106365019 /nfs/dbraw/zinc/36/50/19/1106365019.db2.gz DVRPIDZOXXOKNX-MRXNPFEDSA-N 2 2 308.372 3.005 20 0 DGADLP C[NH+]1CCC([N@@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001256208251 1106391112 /nfs/dbraw/zinc/39/11/12/1106391112.db2.gz AXJMKEJVDWDXAX-QGZVFWFLSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC([N@H+]2CCC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC001256208251 1106391116 /nfs/dbraw/zinc/39/11/16/1106391116.db2.gz AXJMKEJVDWDXAX-QGZVFWFLSA-N 2 2 308.853 3.277 20 0 DGADLP CC(C)CC[C@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001256364139 1106410147 /nfs/dbraw/zinc/41/01/47/1106410147.db2.gz HIRHNCCNQOUBJG-INIZCTEOSA-N 2 2 304.482 3.119 20 0 DGADLP CC(C)CC[C@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001256364139 1106410150 /nfs/dbraw/zinc/41/01/50/1106410150.db2.gz HIRHNCCNQOUBJG-INIZCTEOSA-N 2 2 304.482 3.119 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528838 1106434676 /nfs/dbraw/zinc/43/46/76/1106434676.db2.gz MHXYTGBIOGFWGB-CRAIPNDOSA-N 2 2 302.462 3.387 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528838 1106434678 /nfs/dbraw/zinc/43/46/78/1106434678.db2.gz MHXYTGBIOGFWGB-CRAIPNDOSA-N 2 2 302.462 3.387 20 0 DGADLP CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256559609 1106444939 /nfs/dbraw/zinc/44/49/39/1106444939.db2.gz MGJTXOOMBNQJLP-MISYRCLQSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256559609 1106444942 /nfs/dbraw/zinc/44/49/42/1106444942.db2.gz MGJTXOOMBNQJLP-MISYRCLQSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256559609 1106444944 /nfs/dbraw/zinc/44/49/44/1106444944.db2.gz MGJTXOOMBNQJLP-MISYRCLQSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256559609 1106444946 /nfs/dbraw/zinc/44/49/46/1106444946.db2.gz MGJTXOOMBNQJLP-MISYRCLQSA-N 2 2 316.489 3.396 20 0 DGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC001256568669 1106447870 /nfs/dbraw/zinc/44/78/70/1106447870.db2.gz AKYZGUNIOYNXJD-UHFFFAOYSA-N 2 2 315.505 3.380 20 0 DGADLP C[C@H]1C(=O)CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC001256577943 1106449182 /nfs/dbraw/zinc/44/91/82/1106449182.db2.gz ZMCCQDQHKOUBDS-HNNXBMFYSA-N 2 2 306.494 3.473 20 0 DGADLP C[C@H]1C(=O)CC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC001256577943 1106449183 /nfs/dbraw/zinc/44/91/83/1106449183.db2.gz ZMCCQDQHKOUBDS-HNNXBMFYSA-N 2 2 306.494 3.473 20 0 DGADLP COc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001256653120 1106463202 /nfs/dbraw/zinc/46/32/02/1106463202.db2.gz AJTYKUZDHAYDSG-JKSUJKDBSA-N 2 2 311.429 3.089 20 0 DGADLP COc1cccc2c1CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001256655658 1106463821 /nfs/dbraw/zinc/46/38/21/1106463821.db2.gz ZPBQITAGYKYYIR-KRWDZBQOSA-N 2 2 311.429 3.086 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001256731621 1106475168 /nfs/dbraw/zinc/47/51/68/1106475168.db2.gz IWBLTOAACJWSQL-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001256731621 1106475169 /nfs/dbraw/zinc/47/51/69/1106475169.db2.gz IWBLTOAACJWSQL-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP c1cn([C@H]2CCO[C@H](c3ccccc3)C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001256824413 1106491558 /nfs/dbraw/zinc/49/15/58/1106491558.db2.gz OLQBBALAKBBSNC-SQNIBIBYSA-N 2 2 311.429 3.443 20 0 DGADLP F[C@H]1CCC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855705 1106498251 /nfs/dbraw/zinc/49/82/51/1106498251.db2.gz SKSWMYWOKWNALP-HNNXBMFYSA-N 2 2 313.367 3.120 20 0 DGADLP F[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855705 1106498252 /nfs/dbraw/zinc/49/82/52/1106498252.db2.gz SKSWMYWOKWNALP-HNNXBMFYSA-N 2 2 313.367 3.120 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903743 1106506736 /nfs/dbraw/zinc/50/67/36/1106506736.db2.gz DRVLQPPXYJJFAV-HOCLYGCPSA-N 2 2 309.498 3.004 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C(C)(C)N1O ZINC001256903743 1106506740 /nfs/dbraw/zinc/50/67/40/1106506740.db2.gz DRVLQPPXYJJFAV-HOCLYGCPSA-N 2 2 309.498 3.004 20 0 DGADLP O=C(CCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC001256911127 1106510230 /nfs/dbraw/zinc/51/02/30/1106510230.db2.gz JPZCNTFTRNKAPS-QGZVFWFLSA-N 2 2 315.461 3.041 20 0 DGADLP O=C(CCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)c1cccnc1 ZINC001256911127 1106510231 /nfs/dbraw/zinc/51/02/31/1106510231.db2.gz JPZCNTFTRNKAPS-QGZVFWFLSA-N 2 2 315.461 3.041 20 0 DGADLP O=C(CCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC001256911126 1106510381 /nfs/dbraw/zinc/51/03/81/1106510381.db2.gz JPZCNTFTRNKAPS-KRWDZBQOSA-N 2 2 315.461 3.041 20 0 DGADLP O=C(CCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)c1cccnc1 ZINC001256911126 1106510384 /nfs/dbraw/zinc/51/03/84/1106510384.db2.gz JPZCNTFTRNKAPS-KRWDZBQOSA-N 2 2 315.461 3.041 20 0 DGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC001257222040 1106554529 /nfs/dbraw/zinc/55/45/29/1106554529.db2.gz QBORWGVRNGWLQK-UHFFFAOYSA-N 2 2 315.505 3.298 20 0 DGADLP CC[NH+]1CCC([N@H+](C)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257964002 1106652033 /nfs/dbraw/zinc/65/20/33/1106652033.db2.gz OCVUUIWIBHNJIK-INIZCTEOSA-N 2 2 308.853 3.060 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257964002 1106652035 /nfs/dbraw/zinc/65/20/35/1106652035.db2.gz OCVUUIWIBHNJIK-INIZCTEOSA-N 2 2 308.853 3.060 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257964077 1106652169 /nfs/dbraw/zinc/65/21/69/1106652169.db2.gz OQMRFRVQQUXIOW-MRXNPFEDSA-N 2 2 308.853 3.060 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257964077 1106652170 /nfs/dbraw/zinc/65/21/70/1106652170.db2.gz OQMRFRVQQUXIOW-MRXNPFEDSA-N 2 2 308.853 3.060 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](c2cccnc2F)C2CC2)CC1 ZINC001258007681 1106656782 /nfs/dbraw/zinc/65/67/82/1106656782.db2.gz MSZRYPBKZJITCF-QGZVFWFLSA-N 2 2 305.441 3.382 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001258008330 1106657334 /nfs/dbraw/zinc/65/73/34/1106657334.db2.gz NHUYHCMGPVTQLB-UHFFFAOYSA-N 3 2 307.526 3.090 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC001258008980 1106657426 /nfs/dbraw/zinc/65/74/26/1106657426.db2.gz MOXDDAFOMAVQSF-UHFFFAOYSA-N 2 2 315.383 3.310 20 0 DGADLP CCOC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001258027510 1106661307 /nfs/dbraw/zinc/66/13/07/1106661307.db2.gz XBNYFTDSCVCREB-JCYILVPMSA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001258027510 1106661312 /nfs/dbraw/zinc/66/13/12/1106661312.db2.gz XBNYFTDSCVCREB-JCYILVPMSA-N 2 2 324.509 3.208 20 0 DGADLP CC(C)=CCC[C@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001258093262 1106671438 /nfs/dbraw/zinc/67/14/38/1106671438.db2.gz PUMAMCUGAXEUBR-KRWDZBQOSA-N 2 2 316.493 3.429 20 0 DGADLP CC(C)=CCC[C@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001258093262 1106671440 /nfs/dbraw/zinc/67/14/40/1106671440.db2.gz PUMAMCUGAXEUBR-KRWDZBQOSA-N 2 2 316.493 3.429 20 0 DGADLP CCOC(=O)CCC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258116882 1106676285 /nfs/dbraw/zinc/67/62/85/1106676285.db2.gz UTVROCJOKOPAIC-CQSZACIVSA-N 2 2 315.417 3.303 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)C2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC001258168163 1106685269 /nfs/dbraw/zinc/68/52/69/1106685269.db2.gz CZSKVJPSPGMTLP-HUUCEWRRSA-N 2 2 317.477 3.473 20 0 DGADLP CSCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258216197 1106698970 /nfs/dbraw/zinc/69/89/70/1106698970.db2.gz FDJAUKANLCCQQU-AWEZNQCLSA-N 2 2 324.538 3.025 20 0 DGADLP CSCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258216197 1106698972 /nfs/dbraw/zinc/69/89/72/1106698972.db2.gz FDJAUKANLCCQQU-AWEZNQCLSA-N 2 2 324.538 3.025 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H](C)CC1CC1)CC2 ZINC001258460324 1106754933 /nfs/dbraw/zinc/75/49/33/1106754933.db2.gz GBVOPLZJUGYDRP-CQSZACIVSA-N 2 2 304.482 3.072 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H](C)CC1CC1)CC2 ZINC001258460324 1106754948 /nfs/dbraw/zinc/75/49/48/1106754948.db2.gz GBVOPLZJUGYDRP-CQSZACIVSA-N 2 2 304.482 3.072 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001320026782 1106795085 /nfs/dbraw/zinc/79/50/85/1106795085.db2.gz NJBWRLUSZVQQMO-UHFFFAOYSA-N 2 2 305.466 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001320026782 1106795098 /nfs/dbraw/zinc/79/50/98/1106795098.db2.gz NJBWRLUSZVQQMO-UHFFFAOYSA-N 2 2 305.466 3.057 20 0 DGADLP C[C@H](c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)n1cc[nH+]c1 ZINC001320321911 1106960119 /nfs/dbraw/zinc/96/01/19/1106960119.db2.gz ZYPABMPPUGCIOJ-CQSZACIVSA-N 2 2 323.400 3.138 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC001258771503 1106967947 /nfs/dbraw/zinc/96/79/47/1106967947.db2.gz FZRCILWAAPMHHJ-UHFFFAOYSA-N 2 2 315.505 3.300 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCN(c3c(C)cccc3C)CC2)CC1 ZINC001258777234 1106970637 /nfs/dbraw/zinc/97/06/37/1106970637.db2.gz MSFMMVPPSNAJEC-UHFFFAOYSA-N 2 2 315.505 3.300 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258816318 1106998627 /nfs/dbraw/zinc/99/86/27/1106998627.db2.gz BLRWCUKSVHRNHV-OJAHFUOMSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258816318 1106998640 /nfs/dbraw/zinc/99/86/40/1106998640.db2.gz BLRWCUKSVHRNHV-OJAHFUOMSA-N 2 2 316.489 3.444 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001258883616 1107036817 /nfs/dbraw/zinc/03/68/17/1107036817.db2.gz IHURXHSNIHYHJB-RDJZCZTQSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001258883616 1107036832 /nfs/dbraw/zinc/03/68/32/1107036832.db2.gz IHURXHSNIHYHJB-RDJZCZTQSA-N 2 2 304.478 3.336 20 0 DGADLP CCCCCCOC(=O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258903604 1107050411 /nfs/dbraw/zinc/05/04/11/1107050411.db2.gz VTZUJCLWUVIBFH-MRXNPFEDSA-N 2 2 300.487 3.210 20 0 DGADLP CC[C@@]1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CC[NH2+]C1 ZINC001261456678 1107439437 /nfs/dbraw/zinc/43/94/37/1107439437.db2.gz HWCVYEGHPMYPQK-GOSISDBHSA-N 2 2 312.417 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001261829656 1107539070 /nfs/dbraw/zinc/53/90/70/1107539070.db2.gz XMFGKMRAEDKXJK-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001261829656 1107539082 /nfs/dbraw/zinc/53/90/82/1107539082.db2.gz XMFGKMRAEDKXJK-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP COC1(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CCC1 ZINC001262010474 1107572077 /nfs/dbraw/zinc/57/20/77/1107572077.db2.gz GTYOVBCEWWHDMX-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP COC1(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CCC1 ZINC001262010474 1107572081 /nfs/dbraw/zinc/57/20/81/1107572081.db2.gz GTYOVBCEWWHDMX-UHFFFAOYSA-N 2 2 302.462 3.152 20 0 DGADLP CC1CC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC001262206844 1107651196 /nfs/dbraw/zinc/65/11/96/1107651196.db2.gz MGYWFTAJLKPVJX-UHFFFAOYSA-N 2 2 302.462 3.056 20 0 DGADLP CC1CC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC001262206844 1107651205 /nfs/dbraw/zinc/65/12/05/1107651205.db2.gz MGYWFTAJLKPVJX-UHFFFAOYSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001322621605 1107718085 /nfs/dbraw/zinc/71/80/85/1107718085.db2.gz BQJICRVZCAWFJP-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC001262562951 1107723806 /nfs/dbraw/zinc/72/38/06/1107723806.db2.gz PZZHKBBOQAWHOM-JKSUJKDBSA-N 2 2 321.852 3.274 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000378966570 1108006682 /nfs/dbraw/zinc/00/66/82/1108006682.db2.gz VDPOUXBDEIVFQW-DLBZAZTESA-N 2 2 304.478 3.480 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)sc2C1 ZINC001324456061 1108296654 /nfs/dbraw/zinc/29/66/54/1108296654.db2.gz NKSFSZMCETWXIU-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)sc2C1 ZINC001324456061 1108296665 /nfs/dbraw/zinc/29/66/65/1108296665.db2.gz NKSFSZMCETWXIU-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)sc2C1 ZINC001324456061 1108296677 /nfs/dbraw/zinc/29/66/77/1108296677.db2.gz NKSFSZMCETWXIU-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)sc2C1 ZINC001324456061 1108296687 /nfs/dbraw/zinc/29/66/87/1108296687.db2.gz NKSFSZMCETWXIU-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001324744177 1108449310 /nfs/dbraw/zinc/44/93/10/1108449310.db2.gz ZUDZTLIJZXKYMC-UHFFFAOYSA-N 2 2 301.478 3.249 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001324823106 1108475815 /nfs/dbraw/zinc/47/58/15/1108475815.db2.gz QLQWQFRWYWLWJV-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001324823106 1108475821 /nfs/dbraw/zinc/47/58/21/1108475821.db2.gz QLQWQFRWYWLWJV-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC2CCC1CC2 ZINC001324963903 1108539112 /nfs/dbraw/zinc/53/91/12/1108539112.db2.gz DFFIZQFBZJMTIJ-YMAMQOFZSA-N 2 2 310.401 3.341 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815455 1108647749 /nfs/dbraw/zinc/64/77/49/1108647749.db2.gz VDCKVKGEGWUOPE-KBPBESRZSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815455 1108647752 /nfs/dbraw/zinc/64/77/52/1108647752.db2.gz VDCKVKGEGWUOPE-KBPBESRZSA-N 2 2 316.474 3.302 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c(Cl)nc2c1 ZINC000390439316 1108673336 /nfs/dbraw/zinc/67/33/36/1108673336.db2.gz AKUWOEFEJOKCSJ-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c(Cl)nc2c1 ZINC000390439316 1108673339 /nfs/dbraw/zinc/67/33/39/1108673339.db2.gz AKUWOEFEJOKCSJ-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP c1ccc(COCCCC[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC000390774783 1108678700 /nfs/dbraw/zinc/67/87/00/1108678700.db2.gz ZOOVUOCDIYTTRG-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COCCCC[N@H+]2CCC[NH+]3CCC[C@@H]3C2)cc1 ZINC000390774783 1108678704 /nfs/dbraw/zinc/67/87/04/1108678704.db2.gz ZOOVUOCDIYTTRG-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COCCCC[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000390774783 1108678707 /nfs/dbraw/zinc/67/87/07/1108678707.db2.gz ZOOVUOCDIYTTRG-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COCCCC[NH+]2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000390774783 1108678712 /nfs/dbraw/zinc/67/87/12/1108678712.db2.gz ZOOVUOCDIYTTRG-LJQANCHMSA-N 2 2 302.462 3.154 20 0 DGADLP CC(C)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCC(C)(C)C ZINC001319948115 1108709837 /nfs/dbraw/zinc/70/98/37/1108709837.db2.gz SUQBDFZOGPRFMZ-JKSUJKDBSA-N 2 2 322.497 3.001 20 0 DGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000393457209 1109016787 /nfs/dbraw/zinc/01/67/87/1109016787.db2.gz QBQAJJAXVQAZBF-OAHLLOKOSA-N 2 2 313.420 3.410 20 0 DGADLP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001316617246 1109446202 /nfs/dbraw/zinc/44/62/02/1109446202.db2.gz AQDKEROQXWFYPM-CALCHBBNSA-N 2 2 317.477 3.295 20 0 DGADLP CCCOc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308189449 1111393994 /nfs/dbraw/zinc/39/39/94/1111393994.db2.gz WWQALGCGUVXUTJ-CALCHBBNSA-N 2 2 320.477 3.064 20 0 DGADLP CCCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308189449 1111393996 /nfs/dbraw/zinc/39/39/96/1111393996.db2.gz WWQALGCGUVXUTJ-CALCHBBNSA-N 2 2 320.477 3.064 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nccc2c1CCCC2 ZINC001308600636 1111449118 /nfs/dbraw/zinc/44/91/18/1111449118.db2.gz MGRIFOOZFQPMJL-KRWDZBQOSA-N 2 2 301.478 3.267 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nccc2c1CCCC2 ZINC001308600636 1111449119 /nfs/dbraw/zinc/44/91/19/1111449119.db2.gz MGRIFOOZFQPMJL-KRWDZBQOSA-N 2 2 301.478 3.267 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1nccc2c1CCCC2 ZINC001308600636 1111449122 /nfs/dbraw/zinc/44/91/22/1111449122.db2.gz MGRIFOOZFQPMJL-KRWDZBQOSA-N 2 2 301.478 3.267 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1nccc2c1CCCC2 ZINC001308600636 1111449124 /nfs/dbraw/zinc/44/91/24/1111449124.db2.gz MGRIFOOZFQPMJL-KRWDZBQOSA-N 2 2 301.478 3.267 20 0 DGADLP C[NH+]1CCC(C[NH2+]CC(F)(F)c2ccc(Cl)cc2)CC1 ZINC001308752585 1111469891 /nfs/dbraw/zinc/46/98/91/1111469891.db2.gz ARTUACGSUVFHMP-UHFFFAOYSA-N 2 2 302.796 3.363 20 0 DGADLP Fc1ccc(C2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC001308806999 1111477886 /nfs/dbraw/zinc/47/78/86/1111477886.db2.gz LQRAQUQZMGCNJI-UHFFFAOYSA-N 2 2 308.360 3.006 20 0 DGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001308966772 1111501600 /nfs/dbraw/zinc/50/16/00/1111501600.db2.gz AAGNLJCSYWBLLW-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP C[N@H+]1CCCC[C@H]1C[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001308966772 1111501603 /nfs/dbraw/zinc/50/16/03/1111501603.db2.gz AAGNLJCSYWBLLW-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CCc1cc(OC)ccc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308982609 1111504615 /nfs/dbraw/zinc/50/46/15/1111504615.db2.gz DWNMRASAKXTUEY-UHFFFAOYSA-N 2 2 313.445 3.371 20 0 DGADLP CC(C)=CC[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316841242 1111782082 /nfs/dbraw/zinc/78/20/82/1111782082.db2.gz XUXLHLXFNZCZHW-UHFFFAOYSA-N 2 2 303.450 3.025 20 0 DGADLP CC(C)=CC[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316841242 1111782086 /nfs/dbraw/zinc/78/20/86/1111782086.db2.gz XUXLHLXFNZCZHW-UHFFFAOYSA-N 2 2 303.450 3.025 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680986 432001942 /nfs/dbraw/zinc/00/19/42/432001942.db2.gz QONRIUMSGIMHOU-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680986 432001947 /nfs/dbraw/zinc/00/19/47/432001947.db2.gz QONRIUMSGIMHOU-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP COc1ccccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000076901261 185053048 /nfs/dbraw/zinc/05/30/48/185053048.db2.gz JUDQGBNWXYAJEH-UHFFFAOYSA-N 2 2 309.413 3.304 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(F)c1F ZINC000278470806 214173268 /nfs/dbraw/zinc/17/32/68/214173268.db2.gz JSKYGABHYAZFSB-ZIAGYGMSSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(F)c1F ZINC000278470806 214173269 /nfs/dbraw/zinc/17/32/69/214173269.db2.gz JSKYGABHYAZFSB-ZIAGYGMSSA-N 2 2 312.404 3.116 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000129264990 432002846 /nfs/dbraw/zinc/00/28/46/432002846.db2.gz QPTWZDLOLVOETQ-QWHCGFSZSA-N 2 2 315.383 3.473 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)c2ccc(C)cc2)n1-c1ccccc1 ZINC000278547035 214227436 /nfs/dbraw/zinc/22/74/36/214227436.db2.gz YJVFFCMKIDKXTK-FQEVSTJZSA-N 2 2 321.424 3.312 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000278576388 214248979 /nfs/dbraw/zinc/24/89/79/214248979.db2.gz XODOVGWFSIWOHR-UHFFFAOYSA-N 2 2 316.489 3.233 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000278576388 214248980 /nfs/dbraw/zinc/24/89/80/214248980.db2.gz XODOVGWFSIWOHR-UHFFFAOYSA-N 2 2 316.489 3.233 20 0 DGADLP COCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000278607566 214270665 /nfs/dbraw/zinc/27/06/65/214270665.db2.gz GHJWCJPNRHDRQR-UHFFFAOYSA-N 2 2 316.401 3.173 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)n1-c1ccccc1 ZINC000294992708 282149721 /nfs/dbraw/zinc/14/97/21/282149721.db2.gz HRGBZRCPFHQCEQ-FQEVSTJZSA-N 2 2 321.424 3.346 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](CO)c2ccccc2)n1-c1ccccc1 ZINC000294992708 282149723 /nfs/dbraw/zinc/14/97/23/282149723.db2.gz HRGBZRCPFHQCEQ-FQEVSTJZSA-N 2 2 321.424 3.346 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)n1-c1ccccc1 ZINC000339470917 282153960 /nfs/dbraw/zinc/15/39/60/282153960.db2.gz QORSALHSZYZETB-IBGZPJMESA-N 2 2 313.445 3.212 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309590515 231098796 /nfs/dbraw/zinc/09/87/96/231098796.db2.gz CTWDLAQNJUWXKC-KRWDZBQOSA-N 2 2 315.486 3.248 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309590515 231098799 /nfs/dbraw/zinc/09/87/99/231098799.db2.gz CTWDLAQNJUWXKC-KRWDZBQOSA-N 2 2 315.486 3.248 20 0 DGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309716619 231101505 /nfs/dbraw/zinc/10/15/05/231101505.db2.gz LAJDXTPLPURGQL-MRXNPFEDSA-N 2 2 306.413 3.260 20 0 DGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309716619 231101508 /nfs/dbraw/zinc/10/15/08/231101508.db2.gz LAJDXTPLPURGQL-MRXNPFEDSA-N 2 2 306.413 3.260 20 0 DGADLP COc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309907379 231106556 /nfs/dbraw/zinc/10/65/56/231106556.db2.gz QYRFTPKRSJAKSL-LPHOPBHVSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309907379 231106560 /nfs/dbraw/zinc/10/65/60/231106560.db2.gz QYRFTPKRSJAKSL-LPHOPBHVSA-N 2 2 310.441 3.448 20 0 DGADLP c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000278754032 214377179 /nfs/dbraw/zinc/37/71/79/214377179.db2.gz BBTKVNQJPFEVBW-UHFFFAOYSA-N 2 2 302.447 3.056 20 0 DGADLP C[NH2+]C[C@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000165503311 197676368 /nfs/dbraw/zinc/67/63/68/197676368.db2.gz GZFFOQODNDKQCE-AWEZNQCLSA-N 2 2 322.412 3.104 20 0 DGADLP CCc1cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302082096 529535817 /nfs/dbraw/zinc/53/58/17/529535817.db2.gz JKEFSQJPZUYSPZ-MRXNPFEDSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302082096 529535819 /nfs/dbraw/zinc/53/58/19/529535819.db2.gz JKEFSQJPZUYSPZ-MRXNPFEDSA-N 2 2 324.472 3.448 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414392147 529540579 /nfs/dbraw/zinc/54/05/79/529540579.db2.gz MFVYOMSSPZNLNC-HNNXBMFYSA-N 2 2 320.868 3.250 20 0 DGADLP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587634 185327409 /nfs/dbraw/zinc/32/74/09/185327409.db2.gz ZDIFRFBIWBXMCQ-QGZVFWFLSA-N 2 2 320.477 3.370 20 0 DGADLP COCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587634 185327410 /nfs/dbraw/zinc/32/74/10/185327410.db2.gz ZDIFRFBIWBXMCQ-QGZVFWFLSA-N 2 2 320.477 3.370 20 0 DGADLP CCc1ccc([C@@H](CNCc2[nH]cc[nH+]2)[NH+](CC)CC)cc1 ZINC000292600377 529709123 /nfs/dbraw/zinc/70/91/23/529709123.db2.gz HGPZMOWETONABD-QGZVFWFLSA-N 2 2 300.450 3.145 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016020 529802025 /nfs/dbraw/zinc/80/20/25/529802025.db2.gz AKLQWVKKVGAARK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016020 529802026 /nfs/dbraw/zinc/80/20/26/529802026.db2.gz AKLQWVKKVGAARK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016020 529802027 /nfs/dbraw/zinc/80/20/27/529802027.db2.gz AKLQWVKKVGAARK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)C1 ZINC000429016020 529802028 /nfs/dbraw/zinc/80/20/28/529802028.db2.gz AKLQWVKKVGAARK-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)n1C ZINC000419737502 529811194 /nfs/dbraw/zinc/81/11/94/529811194.db2.gz YHOMDUIQCLGMRF-KGLIPLIRSA-N 2 2 316.424 3.051 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386561 529811643 /nfs/dbraw/zinc/81/16/43/529811643.db2.gz COKZDXIVSFFFRH-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386561 529811644 /nfs/dbraw/zinc/81/16/44/529811644.db2.gz COKZDXIVSFFFRH-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386561 529811645 /nfs/dbraw/zinc/81/16/45/529811645.db2.gz COKZDXIVSFFFRH-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)C1 ZINC000319386561 529811647 /nfs/dbraw/zinc/81/16/47/529811647.db2.gz COKZDXIVSFFFRH-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000172681674 282300680 /nfs/dbraw/zinc/30/06/80/282300680.db2.gz AQXUGKYGLPKUAP-HNAYVOBHSA-N 2 2 312.461 3.216 20 0 DGADLP C[NH2+]CCC[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000435879408 529964690 /nfs/dbraw/zinc/96/46/90/529964690.db2.gz KBJQLKJTPMMIIS-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP C[NH2+]CCC[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000435879408 529964691 /nfs/dbraw/zinc/96/46/91/529964691.db2.gz KBJQLKJTPMMIIS-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP C[NH2+]C[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166949971 529993734 /nfs/dbraw/zinc/99/37/34/529993734.db2.gz WBPBQACVWHGDAM-NSHDSACASA-N 2 2 319.792 3.321 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430611919 530001720 /nfs/dbraw/zinc/00/17/20/530001720.db2.gz QCFRWNLGTCOPCK-GFCCVEGCSA-N 2 2 321.371 3.051 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430611919 530001722 /nfs/dbraw/zinc/00/17/22/530001722.db2.gz QCFRWNLGTCOPCK-GFCCVEGCSA-N 2 2 321.371 3.051 20 0 DGADLP C[N@H+](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)Cc1ccccc1 ZINC000104119731 432014358 /nfs/dbraw/zinc/01/43/58/432014358.db2.gz GVEXJTZQYXYSNC-UHFFFAOYSA-N 2 2 320.396 3.147 20 0 DGADLP C[N@@H+](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)Cc1ccccc1 ZINC000104119731 432014361 /nfs/dbraw/zinc/01/43/61/432014361.db2.gz GVEXJTZQYXYSNC-UHFFFAOYSA-N 2 2 320.396 3.147 20 0 DGADLP CCC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H](O)c1ccccc1 ZINC000279760773 215123792 /nfs/dbraw/zinc/12/37/92/215123792.db2.gz ZUPMBSQIOMQURJ-HKUYNNGSSA-N 2 2 309.413 3.326 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130393500 432022537 /nfs/dbraw/zinc/02/25/37/432022537.db2.gz AWATXLZVMSFOJF-AWEZNQCLSA-N 2 2 311.389 3.016 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130393500 432022539 /nfs/dbraw/zinc/02/25/39/432022539.db2.gz AWATXLZVMSFOJF-AWEZNQCLSA-N 2 2 311.389 3.016 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nccn2-c2ccccc2)CC1 ZINC000287083379 219301664 /nfs/dbraw/zinc/30/16/64/219301664.db2.gz OWQMTUUXFRMDGD-INIZCTEOSA-N 2 2 312.461 3.397 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287087185 219304572 /nfs/dbraw/zinc/30/45/72/219304572.db2.gz PCKVGSIKMFVBET-OXJNMPFZSA-N 2 2 321.424 3.127 20 0 DGADLP CC(C)n1nccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000280003400 215303198 /nfs/dbraw/zinc/30/31/98/215303198.db2.gz RXSIBINFUCXPJU-UHFFFAOYSA-N 2 2 312.461 3.218 20 0 DGADLP C[NH+](C)C(C)(C)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000152602875 186088900 /nfs/dbraw/zinc/08/89/00/186088900.db2.gz FKZNZJWOOAIMKM-UHFFFAOYSA-N 2 2 323.912 3.234 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000155861816 186118963 /nfs/dbraw/zinc/11/89/63/186118963.db2.gz DYQZOGCBXCOKMO-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@H+]1C ZINC000155861816 186118965 /nfs/dbraw/zinc/11/89/65/186118965.db2.gz DYQZOGCBXCOKMO-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000155910971 186122317 /nfs/dbraw/zinc/12/23/17/186122317.db2.gz ZBTMOGQRFMODGY-MRXNPFEDSA-N 2 2 323.444 3.136 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000164206475 186151986 /nfs/dbraw/zinc/15/19/86/186151986.db2.gz IBTHZCWFNBFQQM-MCIONIFRSA-N 2 2 312.417 3.277 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000269589487 186392804 /nfs/dbraw/zinc/39/28/04/186392804.db2.gz RXGAQCDEVSIKFX-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000269589487 186392806 /nfs/dbraw/zinc/39/28/06/186392806.db2.gz RXGAQCDEVSIKFX-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nccn2-c2ccccc2)[C@H](C)C1 ZINC000287199516 219376287 /nfs/dbraw/zinc/37/62/87/219376287.db2.gz WERRCFJPQOUJBA-RYRKJORJSA-N 2 2 312.461 3.253 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nccn2-c2ccccc2)[C@H](C)C1 ZINC000287199516 219376289 /nfs/dbraw/zinc/37/62/89/219376289.db2.gz WERRCFJPQOUJBA-RYRKJORJSA-N 2 2 312.461 3.253 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nccn2-c2ccccc2)[C@@H](C)C1 ZINC000287199508 219376433 /nfs/dbraw/zinc/37/64/33/219376433.db2.gz WERRCFJPQOUJBA-BQFCYCMXSA-N 2 2 312.461 3.253 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nccn2-c2ccccc2)[C@@H](C)C1 ZINC000287199508 219376436 /nfs/dbraw/zinc/37/64/36/219376436.db2.gz WERRCFJPQOUJBA-BQFCYCMXSA-N 2 2 312.461 3.253 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000172196887 198056367 /nfs/dbraw/zinc/05/63/67/198056367.db2.gz GDZBEGOEPNUNSI-CYBMUJFWSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000172196887 198056368 /nfs/dbraw/zinc/05/63/68/198056368.db2.gz GDZBEGOEPNUNSI-CYBMUJFWSA-N 2 2 303.837 3.272 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOC4(CCCCC4)C3)cc2)c[nH+]1 ZINC000072716599 191221947 /nfs/dbraw/zinc/22/19/47/191221947.db2.gz GQNQWTFMMJNZJD-UHFFFAOYSA-N 2 2 311.429 3.407 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOC4(CCCCC4)C3)cc2)c[nH+]1 ZINC000072716599 191221949 /nfs/dbraw/zinc/22/19/49/191221949.db2.gz GQNQWTFMMJNZJD-UHFFFAOYSA-N 2 2 311.429 3.407 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422731165 295854628 /nfs/dbraw/zinc/85/46/28/295854628.db2.gz GLUKBQTXVPDMCN-HKUYNNGSSA-N 3 2 303.494 3.177 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000277116356 213304532 /nfs/dbraw/zinc/30/45/32/213304532.db2.gz IJUOFMKMBSFFPW-ROUUACIJSA-N 2 2 319.518 3.166 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Br)[C@H](C)C1 ZINC000174629330 198361444 /nfs/dbraw/zinc/36/14/44/198361444.db2.gz VSOHQRBKFMHOQL-IUODEOHRSA-N 2 2 311.267 3.269 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Br)[C@H](C)C1 ZINC000174629330 198361446 /nfs/dbraw/zinc/36/14/46/198361446.db2.gz VSOHQRBKFMHOQL-IUODEOHRSA-N 2 2 311.267 3.269 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277019688 213242331 /nfs/dbraw/zinc/24/23/31/213242331.db2.gz AIDZMNUUNCCUPL-ZBFHGGJFSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277019688 213242334 /nfs/dbraw/zinc/24/23/34/213242334.db2.gz AIDZMNUUNCCUPL-ZBFHGGJFSA-N 2 2 314.433 3.214 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000163887736 432045093 /nfs/dbraw/zinc/04/50/93/432045093.db2.gz OYHPRPMVMBUZOJ-QZTJIDSGSA-N 2 2 322.880 3.462 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000132316935 432047865 /nfs/dbraw/zinc/04/78/65/432047865.db2.gz AXDFUBKSQZVSLC-DKKFBQAASA-N 3 2 309.542 3.205 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000132316935 432047868 /nfs/dbraw/zinc/04/78/68/432047868.db2.gz AXDFUBKSQZVSLC-DKKFBQAASA-N 3 2 309.542 3.205 20 0 DGADLP Clc1ncccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179175718 432048333 /nfs/dbraw/zinc/04/83/33/432048333.db2.gz BVACUCOIMIZHLF-CJNGLKHVSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ncccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179175718 432048336 /nfs/dbraw/zinc/04/83/36/432048336.db2.gz BVACUCOIMIZHLF-CJNGLKHVSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ncccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179175718 432048337 /nfs/dbraw/zinc/04/83/37/432048337.db2.gz BVACUCOIMIZHLF-CJNGLKHVSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ncccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179175718 432048339 /nfs/dbraw/zinc/04/83/39/432048339.db2.gz BVACUCOIMIZHLF-CJNGLKHVSA-N 2 2 305.853 3.184 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164976059 432052731 /nfs/dbraw/zinc/05/27/31/432052731.db2.gz CJIANVIUSHJFEW-CVYDXHPNSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164976059 432052733 /nfs/dbraw/zinc/05/27/33/432052733.db2.gz CJIANVIUSHJFEW-CVYDXHPNSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164976059 432052735 /nfs/dbraw/zinc/05/27/35/432052735.db2.gz CJIANVIUSHJFEW-CVYDXHPNSA-N 3 2 321.534 3.061 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164976059 432052737 /nfs/dbraw/zinc/05/27/37/432052737.db2.gz CJIANVIUSHJFEW-CVYDXHPNSA-N 3 2 321.534 3.061 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(O)CCCCCC2)n1-c1ccccc1 ZINC000081292735 192246678 /nfs/dbraw/zinc/24/66/78/192246678.db2.gz MWCPVTNXTJBMOG-UHFFFAOYSA-N 2 2 313.445 3.356 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395737 432060583 /nfs/dbraw/zinc/06/05/83/432060583.db2.gz JCFDWRDAYQBYBE-TXPKVOOTSA-N 2 2 312.461 3.065 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395737 432060586 /nfs/dbraw/zinc/06/05/86/432060586.db2.gz JCFDWRDAYQBYBE-TXPKVOOTSA-N 2 2 312.461 3.065 20 0 DGADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1)C(C)C ZINC000236996021 202114532 /nfs/dbraw/zinc/11/45/32/202114532.db2.gz OFKBHICSKLZUDB-UHFFFAOYSA-N 2 2 312.417 3.146 20 0 DGADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1)C(C)C ZINC000236996021 202114535 /nfs/dbraw/zinc/11/45/35/202114535.db2.gz OFKBHICSKLZUDB-UHFFFAOYSA-N 2 2 312.417 3.146 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(OCC2CC2)c1 ZINC000166907107 432063141 /nfs/dbraw/zinc/06/31/41/432063141.db2.gz JVRZWTNHEKPCOP-QAPCUYQASA-N 2 2 302.462 3.356 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCC2CC2)c1 ZINC000166907107 432063143 /nfs/dbraw/zinc/06/31/43/432063143.db2.gz JVRZWTNHEKPCOP-QAPCUYQASA-N 2 2 302.462 3.356 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000276840976 213127427 /nfs/dbraw/zinc/12/74/27/213127427.db2.gz GXBMCIURKPLDRG-RHSMWYFYSA-N 2 2 312.417 3.203 20 0 DGADLP C[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CCC[NH+](C)C1 ZINC000179733756 432069384 /nfs/dbraw/zinc/06/93/84/432069384.db2.gz MFMKATCLROPOJC-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CCC[NH+](C)C1 ZINC000179733756 432069385 /nfs/dbraw/zinc/06/93/85/432069385.db2.gz MFMKATCLROPOJC-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CCC[N@H+](C)C1 ZINC000179733756 432069386 /nfs/dbraw/zinc/06/93/86/432069386.db2.gz MFMKATCLROPOJC-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000179733756 432069388 /nfs/dbraw/zinc/06/93/88/432069388.db2.gz MFMKATCLROPOJC-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632603 432069965 /nfs/dbraw/zinc/06/99/65/432069965.db2.gz KZBOYYWGMYBXGQ-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632603 432069967 /nfs/dbraw/zinc/06/99/67/432069967.db2.gz KZBOYYWGMYBXGQ-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654779 432069924 /nfs/dbraw/zinc/06/99/24/432069924.db2.gz LPWIFJHQXWUBBI-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000168654779 432069927 /nfs/dbraw/zinc/06/99/27/432069927.db2.gz LPWIFJHQXWUBBI-YPMHNXCESA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000179992458 199103501 /nfs/dbraw/zinc/10/35/01/199103501.db2.gz BYAANMVMVDMNPM-HZPDHXFCSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1nc2ccccc2n1C ZINC000119856291 299271965 /nfs/dbraw/zinc/27/19/65/299271965.db2.gz DCZRDVCHTYBPCI-AWEZNQCLSA-N 2 2 314.477 3.487 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)[C@H](C)C1 ZINC000180479492 199164462 /nfs/dbraw/zinc/16/44/62/199164462.db2.gz OQRZUYZJABINSP-ZYHUDNBSSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)[C@H](C)C1 ZINC000180479492 199164463 /nfs/dbraw/zinc/16/44/63/199164463.db2.gz OQRZUYZJABINSP-ZYHUDNBSSA-N 2 2 317.296 3.331 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000397813213 293848321 /nfs/dbraw/zinc/84/83/21/293848321.db2.gz ZLENZHRPHOSQRP-CQSZACIVSA-N 2 2 309.251 3.120 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261939166 291163217 /nfs/dbraw/zinc/16/32/17/291163217.db2.gz MKVQWJPPQWQCQJ-QWHCGFSZSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261939166 291163218 /nfs/dbraw/zinc/16/32/18/291163218.db2.gz MKVQWJPPQWQCQJ-QWHCGFSZSA-N 2 2 323.278 3.195 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000414881870 236926935 /nfs/dbraw/zinc/92/69/35/236926935.db2.gz AZCYPTSBYPXQNB-ZDUSSCGKSA-N 2 2 313.426 3.383 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415059826 237042596 /nfs/dbraw/zinc/04/25/96/237042596.db2.gz XOYPSNXOWILYIZ-FUHWJXTLSA-N 2 2 311.429 3.306 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415059826 237042602 /nfs/dbraw/zinc/04/26/02/237042602.db2.gz XOYPSNXOWILYIZ-FUHWJXTLSA-N 2 2 311.429 3.306 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415057811 237043581 /nfs/dbraw/zinc/04/35/81/237043581.db2.gz UKJBEHHRNYUPDL-MRXNPFEDSA-N 2 2 320.868 3.297 20 0 DGADLP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415038373 237027622 /nfs/dbraw/zinc/02/76/22/237027622.db2.gz NHSAOINBFGGOGZ-CRAIPNDOSA-N 3 2 321.896 3.021 20 0 DGADLP Clc1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)s2)c1 ZINC000415092476 237074746 /nfs/dbraw/zinc/07/47/46/237074746.db2.gz GBOPEFZAPYWKAD-AWEZNQCLSA-N 2 2 322.861 3.147 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1c1cccc(F)c1 ZINC000415125540 237095891 /nfs/dbraw/zinc/09/58/91/237095891.db2.gz ODMCCAZSLUVDOI-ZWKOTPCHSA-N 2 2 310.372 3.499 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1c1cccc(F)c1 ZINC000415125540 237095899 /nfs/dbraw/zinc/09/58/99/237095899.db2.gz ODMCCAZSLUVDOI-ZWKOTPCHSA-N 2 2 310.372 3.499 20 0 DGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1cc(OC)cc(C)[nH+]1 ZINC000281070724 216059716 /nfs/dbraw/zinc/05/97/16/216059716.db2.gz IHNXZZNWPUMJBG-KRWDZBQOSA-N 2 2 314.433 3.342 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237565537 202286219 /nfs/dbraw/zinc/28/62/19/202286219.db2.gz ZJVHAXLXCSDKCA-UKRRQHHQSA-N 2 2 312.417 3.041 20 0 DGADLP FC(F)(F)c1cc[nH+]c(NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000134887749 432087920 /nfs/dbraw/zinc/08/79/20/432087920.db2.gz HMMFNFYFIYGVAE-UHFFFAOYSA-N 2 2 310.323 3.288 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423196982 237831480 /nfs/dbraw/zinc/83/14/80/237831480.db2.gz XDNNJDQHVNONQD-AAEUAGOBSA-N 2 2 300.418 3.446 20 0 DGADLP Cc1cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(C)s1 ZINC000423238473 237834371 /nfs/dbraw/zinc/83/43/71/237834371.db2.gz VCYGQAJROMZAFG-CYBMUJFWSA-N 2 2 316.474 3.343 20 0 DGADLP Fc1cncc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)c1 ZINC000281158334 216119542 /nfs/dbraw/zinc/11/95/42/216119542.db2.gz BHSUIXCKZRGTAF-KRWDZBQOSA-N 2 2 300.381 3.159 20 0 DGADLP c1csc([C@H](Cc2ccncc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000424286840 237889366 /nfs/dbraw/zinc/88/93/66/237889366.db2.gz WMQORWWCHCACBX-HOTGVXAUSA-N 2 2 324.453 3.228 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)nc1 ZINC000427856857 238003994 /nfs/dbraw/zinc/00/39/94/238003994.db2.gz XOSBSMZYHNHAIA-LPHOPBHVSA-N 2 2 322.387 3.111 20 0 DGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427888744 238004375 /nfs/dbraw/zinc/00/43/75/238004375.db2.gz DTTABYZHOVXQGB-CHWSQXEVSA-N 2 2 321.371 3.459 20 0 DGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427888746 238004848 /nfs/dbraw/zinc/00/48/48/238004848.db2.gz DTTABYZHOVXQGB-OLZOCXBDSA-N 2 2 321.371 3.459 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429210730 238043499 /nfs/dbraw/zinc/04/34/99/238043499.db2.gz YZBMECWSPSNLNB-UHFFFAOYSA-N 2 2 304.825 3.120 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC([NH+]2CCCCC2)CC1 ZINC000431043337 238092859 /nfs/dbraw/zinc/09/28/59/238092859.db2.gz CHVRMKPOHRXGQR-UHFFFAOYSA-N 2 2 316.424 3.167 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000430571055 238079988 /nfs/dbraw/zinc/07/99/88/238079988.db2.gz LBPTXZZOMJHNSZ-HXUWFJFHSA-N 2 2 323.440 3.156 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430567189 238080331 /nfs/dbraw/zinc/08/03/31/238080331.db2.gz UCZWUVZQBUXVKI-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430567189 238080334 /nfs/dbraw/zinc/08/03/34/238080334.db2.gz UCZWUVZQBUXVKI-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430606943 238081593 /nfs/dbraw/zinc/08/15/93/238081593.db2.gz XUOJCMYCCRKNGX-CQSZACIVSA-N 2 2 316.474 3.366 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430606943 238081594 /nfs/dbraw/zinc/08/15/94/238081594.db2.gz XUOJCMYCCRKNGX-CQSZACIVSA-N 2 2 316.474 3.366 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000432785884 238136221 /nfs/dbraw/zinc/13/62/21/238136221.db2.gz AWOGOFQRCFOAAS-OAHLLOKOSA-N 2 2 304.463 3.054 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000432785884 238136222 /nfs/dbraw/zinc/13/62/22/238136222.db2.gz AWOGOFQRCFOAAS-OAHLLOKOSA-N 2 2 304.463 3.054 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960555 209341466 /nfs/dbraw/zinc/34/14/66/209341466.db2.gz LLNRIKMREVYHQT-JXFKEZNVSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960555 209341467 /nfs/dbraw/zinc/34/14/67/209341467.db2.gz LLNRIKMREVYHQT-JXFKEZNVSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccnn1-c1ccccc1 ZINC000423393827 299321379 /nfs/dbraw/zinc/32/13/79/299321379.db2.gz RIPYOFMEDVRKGO-MAUKXSAKSA-N 2 2 312.461 3.301 20 0 DGADLP COCCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000442766756 239119739 /nfs/dbraw/zinc/11/97/39/239119739.db2.gz LMZMRTIOJGTVHG-MDASCCDHSA-N 2 2 320.452 3.366 20 0 DGADLP COCCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000442766756 239119748 /nfs/dbraw/zinc/11/97/48/239119748.db2.gz LMZMRTIOJGTVHG-MDASCCDHSA-N 2 2 320.452 3.366 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000194978171 201319982 /nfs/dbraw/zinc/31/99/82/201319982.db2.gz BUNYDURXDFVZAC-MRXNPFEDSA-N 2 2 300.450 3.076 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000194978171 201319986 /nfs/dbraw/zinc/31/99/86/201319986.db2.gz BUNYDURXDFVZAC-MRXNPFEDSA-N 2 2 300.450 3.076 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000195057991 201333152 /nfs/dbraw/zinc/33/31/52/201333152.db2.gz GYVXJWPJNVUBBD-DNVCBOLYSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC[C@@H]1C ZINC000195120067 201342738 /nfs/dbraw/zinc/34/27/38/201342738.db2.gz XEHXXUYZJCYYRG-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC[C@@H]1C ZINC000195120067 201342740 /nfs/dbraw/zinc/34/27/40/201342740.db2.gz XEHXXUYZJCYYRG-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)C3(C)CC3)c2cc1C ZINC000246141286 432100084 /nfs/dbraw/zinc/10/00/84/432100084.db2.gz NVIJYBDKXOEGDJ-HZPDHXFCSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)C3(C)CC3)c2cc1C ZINC000246141286 432100088 /nfs/dbraw/zinc/10/00/88/432100088.db2.gz NVIJYBDKXOEGDJ-HZPDHXFCSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1nc(C)c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000177829092 370698441 /nfs/dbraw/zinc/69/84/41/370698441.db2.gz WHVNSILYZMBACE-NSHDSACASA-N 2 2 300.431 3.301 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000449072306 240002505 /nfs/dbraw/zinc/00/25/05/240002505.db2.gz DYUAYPRNMKKSFY-YGRLFVJLSA-N 2 2 310.363 3.165 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000449072306 240002507 /nfs/dbraw/zinc/00/25/07/240002507.db2.gz DYUAYPRNMKKSFY-YGRLFVJLSA-N 2 2 310.363 3.165 20 0 DGADLP Cc1cnc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000449070722 240002834 /nfs/dbraw/zinc/00/28/34/240002834.db2.gz DYVNTWAEYROCDU-UHFFFAOYSA-N 2 2 312.442 3.029 20 0 DGADLP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000449158354 240043859 /nfs/dbraw/zinc/04/38/59/240043859.db2.gz YNLMSIKPTKMGCW-SOAGJPPSSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000449158354 240043864 /nfs/dbraw/zinc/04/38/64/240043864.db2.gz YNLMSIKPTKMGCW-SOAGJPPSSA-N 2 2 316.489 3.446 20 0 DGADLP CSCC1CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000449078614 240006814 /nfs/dbraw/zinc/00/68/14/240006814.db2.gz VWOOOGPUIFHRBT-UHFFFAOYSA-N 2 2 307.507 3.273 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1F ZINC000449168734 240049609 /nfs/dbraw/zinc/04/96/09/240049609.db2.gz DYTMOGDTIFNQPO-KXBFYZLASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1F ZINC000449168734 240049613 /nfs/dbraw/zinc/04/96/13/240049613.db2.gz DYTMOGDTIFNQPO-KXBFYZLASA-N 2 2 313.420 3.221 20 0 DGADLP COc1cccc2c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cccc12 ZINC000449224053 240078423 /nfs/dbraw/zinc/07/84/23/240078423.db2.gz GZHPFNPEDCXBKE-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cccc12 ZINC000449224053 240078428 /nfs/dbraw/zinc/07/84/28/240078428.db2.gz GZHPFNPEDCXBKE-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)cccc12 ZINC000449224053 240078429 /nfs/dbraw/zinc/07/84/29/240078429.db2.gz GZHPFNPEDCXBKE-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cccc12 ZINC000449224053 240078433 /nfs/dbraw/zinc/07/84/33/240078433.db2.gz GZHPFNPEDCXBKE-BEFAXECRSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449259557 240097101 /nfs/dbraw/zinc/09/71/01/240097101.db2.gz RMSMYXLTTYYSIT-QGZVFWFLSA-N 2 2 307.397 3.150 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000449256616 240093608 /nfs/dbraw/zinc/09/36/08/240093608.db2.gz JOXXFXPMTNNEOY-ZTFGCOKTSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000449256616 240093612 /nfs/dbraw/zinc/09/36/12/240093612.db2.gz JOXXFXPMTNNEOY-ZTFGCOKTSA-N 2 2 304.503 3.238 20 0 DGADLP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000449378173 240166779 /nfs/dbraw/zinc/16/67/79/240166779.db2.gz CPARFSXZTDXWKU-IBGZPJMESA-N 2 2 320.452 3.246 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000449394793 240175260 /nfs/dbraw/zinc/17/52/60/240175260.db2.gz GRVSTBPEXMKWDF-SOAGJPPSSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000449394793 240175265 /nfs/dbraw/zinc/17/52/65/240175265.db2.gz GRVSTBPEXMKWDF-SOAGJPPSSA-N 2 2 316.489 3.149 20 0 DGADLP CCOc1ccccc1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000075639101 283823994 /nfs/dbraw/zinc/82/39/94/283823994.db2.gz LGNORMPHOXTSNZ-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP c1csc([C@H]2C[C@H]([NH2+]Cc3cccc4[nH+]ccn43)CCO2)c1 ZINC000449629143 240328182 /nfs/dbraw/zinc/32/81/82/240328182.db2.gz SZWKXSCQOYDCGF-UKRRQHHQSA-N 2 2 313.426 3.406 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000449736528 240389414 /nfs/dbraw/zinc/38/94/14/240389414.db2.gz VNDMLGDOXJDLSQ-OXJNMPFZSA-N 2 2 309.457 3.309 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000449736528 240389416 /nfs/dbraw/zinc/38/94/16/240389416.db2.gz VNDMLGDOXJDLSQ-OXJNMPFZSA-N 2 2 309.457 3.309 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449750522 240396715 /nfs/dbraw/zinc/39/67/15/240396715.db2.gz VCFDWGGYPAKNEV-QAPCUYQASA-N 2 2 317.477 3.223 20 0 DGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066146 193150429 /nfs/dbraw/zinc/15/04/29/193150429.db2.gz FYTMBWBNOHMKQR-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066146 193150430 /nfs/dbraw/zinc/15/04/30/193150430.db2.gz FYTMBWBNOHMKQR-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066146 193150432 /nfs/dbraw/zinc/15/04/32/193150432.db2.gz FYTMBWBNOHMKQR-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066146 193150434 /nfs/dbraw/zinc/15/04/34/193150434.db2.gz FYTMBWBNOHMKQR-KDOFPFPSSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1Cc2[nH+]cn(Cc3[nH+]ccn3-c3ccccc3)c2C[C@@H]1C ZINC000451335193 241086107 /nfs/dbraw/zinc/08/61/07/241086107.db2.gz BLBHYTTXCHUBSB-CABCVRRESA-N 2 2 306.413 3.488 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451497653 241144896 /nfs/dbraw/zinc/14/48/96/241144896.db2.gz WNNDVYYUCZMSQD-GUDVDZBRSA-N 2 2 323.440 3.228 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c[nH+]1 ZINC000453634615 241844817 /nfs/dbraw/zinc/84/48/17/241844817.db2.gz RGCYGLPKUUCJFC-HXUWFJFHSA-N 2 2 312.457 3.133 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487078 242214558 /nfs/dbraw/zinc/21/45/58/242214558.db2.gz SHQGQXFKYRGAPB-SWLSCSKDSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487078 242214560 /nfs/dbraw/zinc/21/45/60/242214560.db2.gz SHQGQXFKYRGAPB-SWLSCSKDSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(C)[nH+]1 ZINC000455522169 242225033 /nfs/dbraw/zinc/22/50/33/242225033.db2.gz NEWZCCPYSBNZHK-HOCLYGCPSA-N 2 2 316.449 3.097 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335667 284000367 /nfs/dbraw/zinc/00/03/67/284000367.db2.gz GQULSVWWHQNNFU-CHWSQXEVSA-N 2 2 320.868 3.219 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335667 284000372 /nfs/dbraw/zinc/00/03/72/284000372.db2.gz GQULSVWWHQNNFU-CHWSQXEVSA-N 2 2 320.868 3.219 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335660 284000433 /nfs/dbraw/zinc/00/04/33/284000433.db2.gz GQULSVWWHQNNFU-STQMWFEESA-N 2 2 320.868 3.219 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335660 284000434 /nfs/dbraw/zinc/00/04/34/284000434.db2.gz GQULSVWWHQNNFU-STQMWFEESA-N 2 2 320.868 3.219 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246314699 432117991 /nfs/dbraw/zinc/11/79/91/432117991.db2.gz DZDUKSIRGQGVNF-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246314699 432117996 /nfs/dbraw/zinc/11/79/96/432117996.db2.gz DZDUKSIRGQGVNF-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423330796 296130155 /nfs/dbraw/zinc/13/01/55/296130155.db2.gz GIGWGHILHVEXOV-PXAZEXFGSA-N 2 2 320.868 3.267 20 0 DGADLP CC(C)c1ccc(CC[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000468753781 244062788 /nfs/dbraw/zinc/06/27/88/244062788.db2.gz ACAONWHAJADDMY-GOSISDBHSA-N 2 2 306.519 3.379 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000470009578 244138340 /nfs/dbraw/zinc/13/83/40/244138340.db2.gz QAGXNACRJPCQPF-LBPRGKRZSA-N 2 2 318.795 3.373 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000470009578 244138345 /nfs/dbraw/zinc/13/83/45/244138345.db2.gz QAGXNACRJPCQPF-LBPRGKRZSA-N 2 2 318.795 3.373 20 0 DGADLP C[NH2+]C1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000469996837 244139536 /nfs/dbraw/zinc/13/95/36/244139536.db2.gz RZOVDOWFFNVXPA-LBPRGKRZSA-N 2 2 311.267 3.236 20 0 DGADLP COC1CC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000470251864 244162589 /nfs/dbraw/zinc/16/25/89/244162589.db2.gz GXRRSSAUJHKQEM-FAEJEUNOSA-N 2 2 302.462 3.417 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471612007 244222495 /nfs/dbraw/zinc/22/24/95/244222495.db2.gz RSUPDLNLYRVGTI-JTDSTZFVSA-N 2 2 304.478 3.473 20 0 DGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000262319216 203259693 /nfs/dbraw/zinc/25/96/93/203259693.db2.gz QMSHMHQVDKHWQK-SFHVURJKSA-N 2 2 314.433 3.219 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000473992825 244358078 /nfs/dbraw/zinc/35/80/78/244358078.db2.gz FSBBLFFRGKCUBQ-NVXWUHKLSA-N 2 2 302.462 3.499 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000473992825 244358082 /nfs/dbraw/zinc/35/80/82/244358082.db2.gz FSBBLFFRGKCUBQ-NVXWUHKLSA-N 2 2 302.462 3.499 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404967 193245557 /nfs/dbraw/zinc/24/55/57/193245557.db2.gz NEBZTGDPEZJMHG-NVXWUHKLSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404967 193245558 /nfs/dbraw/zinc/24/55/58/193245558.db2.gz NEBZTGDPEZJMHG-NVXWUHKLSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404964 193245669 /nfs/dbraw/zinc/24/56/69/193245669.db2.gz NEBZTGDPEZJMHG-RDJZCZTQSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404964 193245671 /nfs/dbraw/zinc/24/56/71/193245671.db2.gz NEBZTGDPEZJMHG-RDJZCZTQSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404966 193246148 /nfs/dbraw/zinc/24/61/48/193246148.db2.gz NEBZTGDPEZJMHG-DOTOQJQBSA-N 2 2 315.486 3.358 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404966 193246150 /nfs/dbraw/zinc/24/61/50/193246150.db2.gz NEBZTGDPEZJMHG-DOTOQJQBSA-N 2 2 315.486 3.358 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093563595 193268196 /nfs/dbraw/zinc/26/81/96/193268196.db2.gz IMZXEQZGKQWCKV-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093563595 193268197 /nfs/dbraw/zinc/26/81/97/193268197.db2.gz IMZXEQZGKQWCKV-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2c1 ZINC000093564217 193269205 /nfs/dbraw/zinc/26/92/05/193269205.db2.gz KJEDISIGSKCJFE-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2c1 ZINC000093564217 193269208 /nfs/dbraw/zinc/26/92/08/193269208.db2.gz KJEDISIGSKCJFE-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC[C@H]([NH+]4CCCC4)CC3)n2c1 ZINC000093564217 193269209 /nfs/dbraw/zinc/26/92/09/193269209.db2.gz KJEDISIGSKCJFE-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093604550 193272647 /nfs/dbraw/zinc/27/26/47/193272647.db2.gz FDUKRDVJKOENEI-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093604550 193272648 /nfs/dbraw/zinc/27/26/48/193272648.db2.gz FDUKRDVJKOENEI-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122985441 296146289 /nfs/dbraw/zinc/14/62/89/296146289.db2.gz GCTCZWLZJHCLDK-DLBZAZTESA-N 2 2 312.461 3.397 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683714 193288638 /nfs/dbraw/zinc/28/86/38/193288638.db2.gz HEHSKVFKPZNNHH-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683714 193288640 /nfs/dbraw/zinc/28/86/40/193288640.db2.gz HEHSKVFKPZNNHH-QGZVFWFLSA-N 2 2 318.461 3.012 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1F ZINC000423114436 296148812 /nfs/dbraw/zinc/14/88/12/296148812.db2.gz VRLYBAKANRLACN-BFVZDQMLSA-N 2 2 315.230 3.379 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)[NH+](C)C)cc1F ZINC000482521370 244808456 /nfs/dbraw/zinc/80/84/56/244808456.db2.gz XZTVQJKVFKTIEE-QRTARXTBSA-N 2 2 308.441 3.400 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1)C1CC1 ZINC000121235529 284191834 /nfs/dbraw/zinc/19/18/34/284191834.db2.gz HJMWVEWFWWSWEJ-LJQANCHMSA-N 2 2 302.462 3.090 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1)C1CC1 ZINC000121235529 284191836 /nfs/dbraw/zinc/19/18/36/284191836.db2.gz HJMWVEWFWWSWEJ-LJQANCHMSA-N 2 2 302.462 3.090 20 0 DGADLP Clc1c[nH+]ccc1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000487787751 245106675 /nfs/dbraw/zinc/10/66/75/245106675.db2.gz QWTFYFFZHUJGRL-QGZVFWFLSA-N 2 2 301.821 3.406 20 0 DGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[NH+]2CCCCC2)C3)cc1 ZINC000487998821 245134441 /nfs/dbraw/zinc/13/44/41/245134441.db2.gz JBRCPHNUNUDNRA-UHFFFAOYSA-N 2 2 324.472 3.025 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488464230 245197002 /nfs/dbraw/zinc/19/70/02/245197002.db2.gz SQAUQSXFRBCSID-PBHICJAKSA-N 2 2 303.475 3.464 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2C[C@H]2C)CCOCC1)c1ccccc1 ZINC000488457647 245197227 /nfs/dbraw/zinc/19/72/27/245197227.db2.gz LYIZRIJHDAPYSP-SOLBZPMBSA-N 2 2 302.462 3.132 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000268705061 432123784 /nfs/dbraw/zinc/12/37/84/432123784.db2.gz BMJJTEXHYVBEDC-AWEZNQCLSA-N 2 2 302.418 3.194 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000274897298 212018107 /nfs/dbraw/zinc/01/81/07/212018107.db2.gz OFQNUVIWGQXGKX-RHSMWYFYSA-N 2 2 312.417 3.203 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000282482539 217028297 /nfs/dbraw/zinc/02/82/97/217028297.db2.gz WZNBNJUDRMCNBH-GOEBONIOSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000282482539 217028301 /nfs/dbraw/zinc/02/83/01/217028301.db2.gz WZNBNJUDRMCNBH-GOEBONIOSA-N 2 2 309.457 3.242 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCO1 ZINC000246385272 432125559 /nfs/dbraw/zinc/12/55/59/432125559.db2.gz KJZDBRCEVCMGKL-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCO1 ZINC000246385272 432125560 /nfs/dbraw/zinc/12/55/60/432125560.db2.gz KJZDBRCEVCMGKL-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1[nH+]cc(CN2CC[NH+](C3CCCC3)CC2)n1-c1ccccc1 ZINC000126971815 284322893 /nfs/dbraw/zinc/32/28/93/284322893.db2.gz UNNXJYXIPRECAP-UHFFFAOYSA-N 2 2 324.472 3.241 20 0 DGADLP c1c[nH+]c([C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2ccccc2)[nH]1 ZINC000127456445 284340547 /nfs/dbraw/zinc/34/05/47/284340547.db2.gz BJSVCPQWLXQGNM-RBUKOAKNSA-N 2 2 324.472 3.353 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000127746685 284350301 /nfs/dbraw/zinc/35/03/01/284350301.db2.gz IHWBFJFZTSFYIX-UHFFFAOYSA-N 2 2 318.461 3.072 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774912 432130527 /nfs/dbraw/zinc/13/05/27/432130527.db2.gz NGEWZUMWKTXKAY-KFKAGJAMSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774912 432130532 /nfs/dbraw/zinc/13/05/32/432130532.db2.gz NGEWZUMWKTXKAY-KFKAGJAMSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774912 432130537 /nfs/dbraw/zinc/13/05/37/432130537.db2.gz NGEWZUMWKTXKAY-KFKAGJAMSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774912 432130540 /nfs/dbraw/zinc/13/05/40/432130540.db2.gz NGEWZUMWKTXKAY-KFKAGJAMSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000493898017 246093381 /nfs/dbraw/zinc/09/33/81/246093381.db2.gz SXYBIJXQFLVKQC-HSFUPAIVSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCCC[C@H]1C ZINC000493898017 246093387 /nfs/dbraw/zinc/09/33/87/246093387.db2.gz SXYBIJXQFLVKQC-HSFUPAIVSA-N 2 2 306.494 3.187 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000494428423 246146359 /nfs/dbraw/zinc/14/63/59/246146359.db2.gz ICTWWAXMINSJLR-HNNXBMFYSA-N 2 2 324.453 3.420 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)c1 ZINC000494405920 246142585 /nfs/dbraw/zinc/14/25/85/246142585.db2.gz OQTVIHPPZKXVSP-LLVKDONJSA-N 2 2 316.455 3.173 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(-c3ccsc3)s1)CC2 ZINC000494390218 246143215 /nfs/dbraw/zinc/14/32/15/246143215.db2.gz FXNRWDYQUFOGHS-LBPRGKRZSA-N 2 2 316.455 3.173 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CC2 ZINC000494467714 246151280 /nfs/dbraw/zinc/15/12/80/246151280.db2.gz RQHWYJWXFDGNAW-INIZCTEOSA-N 2 2 311.429 3.309 20 0 DGADLP Cc1cc(NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)nc[nH+]1 ZINC000495318528 246257744 /nfs/dbraw/zinc/25/77/44/246257744.db2.gz BBVTZMBWCZSSRL-WMZOPIPTSA-N 2 2 312.461 3.384 20 0 DGADLP c1ccc2oc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246519269 432140847 /nfs/dbraw/zinc/14/08/47/432140847.db2.gz IREDHNUPHRVICC-WMLDXEAASA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000246519269 432140850 /nfs/dbraw/zinc/14/08/50/432140850.db2.gz IREDHNUPHRVICC-WMLDXEAASA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000246519269 432140853 /nfs/dbraw/zinc/14/08/53/432140853.db2.gz IREDHNUPHRVICC-WMLDXEAASA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000246519269 432140856 /nfs/dbraw/zinc/14/08/56/432140856.db2.gz IREDHNUPHRVICC-WMLDXEAASA-N 2 2 311.429 3.277 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCO1 ZINC000181742513 432143702 /nfs/dbraw/zinc/14/37/02/432143702.db2.gz KJZDBRCEVCMGKL-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCCO1 ZINC000181742513 432143707 /nfs/dbraw/zinc/14/37/07/432143707.db2.gz KJZDBRCEVCMGKL-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1Br ZINC000042427250 183269837 /nfs/dbraw/zinc/26/98/37/183269837.db2.gz LSUSVSVYVXAQSI-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1Br ZINC000042427250 183269839 /nfs/dbraw/zinc/26/98/39/183269839.db2.gz LSUSVSVYVXAQSI-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc(C)c1F ZINC000153352500 284667742 /nfs/dbraw/zinc/66/77/42/284667742.db2.gz DBDTZGLUGWFYLR-CJNGLKHVSA-N 2 2 308.441 3.061 20 0 DGADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000274233382 211443036 /nfs/dbraw/zinc/44/30/36/211443036.db2.gz PROJZVMWRQARRU-VXGBXAGGSA-N 2 2 313.430 3.444 20 0 DGADLP CC(C)[NH+](CCNCc1cn2cc(Cl)ccc2[nH+]1)C(C)C ZINC000105860481 194148743 /nfs/dbraw/zinc/14/87/43/194148743.db2.gz ZYTHOFRSLUMUJQ-UHFFFAOYSA-N 2 2 308.857 3.196 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000105897441 194162576 /nfs/dbraw/zinc/16/25/76/194162576.db2.gz JBUNXLUNLXAFID-KBPBESRZSA-N 2 2 317.437 3.350 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000105897441 194162578 /nfs/dbraw/zinc/16/25/78/194162578.db2.gz JBUNXLUNLXAFID-KBPBESRZSA-N 2 2 317.437 3.350 20 0 DGADLP CC[C@@H](C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268849652 207019055 /nfs/dbraw/zinc/01/90/55/207019055.db2.gz CNAMDIAIWAPTFG-KDOFPFPSSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000268878710 207048788 /nfs/dbraw/zinc/04/87/88/207048788.db2.gz XGEKQTKFFONORG-YPMHNXCESA-N 2 2 317.260 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906799 207076378 /nfs/dbraw/zinc/07/63/78/207076378.db2.gz MCPWNNRKJURGSC-UTKZUKDTSA-N 2 2 323.484 3.250 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(-c2ccccc2)c1 ZINC000268906799 207076382 /nfs/dbraw/zinc/07/63/82/207076382.db2.gz MCPWNNRKJURGSC-UTKZUKDTSA-N 2 2 323.484 3.250 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000268951430 207117373 /nfs/dbraw/zinc/11/73/73/207117373.db2.gz CKECVVMAVIVADK-YOEHRIQHSA-N 2 2 311.385 3.158 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000269040440 207190008 /nfs/dbraw/zinc/19/00/08/207190008.db2.gz GKPMFJQSTACVQH-AVYPCKFXSA-N 3 2 324.472 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000269040440 207190012 /nfs/dbraw/zinc/19/00/12/207190012.db2.gz GKPMFJQSTACVQH-AVYPCKFXSA-N 3 2 324.472 3.314 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248502494 285002097 /nfs/dbraw/zinc/00/20/97/285002097.db2.gz UJCJRJZFTXEJBE-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248502494 285002102 /nfs/dbraw/zinc/00/21/02/285002102.db2.gz UJCJRJZFTXEJBE-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626815 532981524 /nfs/dbraw/zinc/98/15/24/532981524.db2.gz MHYJLUHQTPCZPV-PXAZEXFGSA-N 2 2 303.381 3.182 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000430626815 532981531 /nfs/dbraw/zinc/98/15/31/532981531.db2.gz MHYJLUHQTPCZPV-PXAZEXFGSA-N 2 2 303.381 3.182 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000119628873 195004830 /nfs/dbraw/zinc/00/48/30/195004830.db2.gz BVRPUIFVYQOCFK-GOEBONIOSA-N 2 2 322.880 3.319 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000248885027 285036227 /nfs/dbraw/zinc/03/62/27/285036227.db2.gz PVDRXTMVFSMYLF-BPQIPLTHSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000248885027 285036230 /nfs/dbraw/zinc/03/62/30/285036230.db2.gz PVDRXTMVFSMYLF-BPQIPLTHSA-N 2 2 304.478 3.209 20 0 DGADLP CCCC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000119807073 195040552 /nfs/dbraw/zinc/04/05/52/195040552.db2.gz UOLJVAJLBXQXSL-UHFFFAOYSA-N 2 2 308.389 3.203 20 0 DGADLP C[C@H](CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000248985675 285043541 /nfs/dbraw/zinc/04/35/41/285043541.db2.gz FAIZKKQDCVOQEO-RTBURBONSA-N 2 2 316.489 3.224 20 0 DGADLP C[C@H](CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000248985675 285043542 /nfs/dbraw/zinc/04/35/42/285043542.db2.gz FAIZKKQDCVOQEO-RTBURBONSA-N 2 2 316.489 3.224 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249026335 285047227 /nfs/dbraw/zinc/04/72/27/285047227.db2.gz ALNFAFHMVUIRCB-LNLFQRSKSA-N 2 2 306.494 3.164 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249026335 285047231 /nfs/dbraw/zinc/04/72/31/285047231.db2.gz ALNFAFHMVUIRCB-LNLFQRSKSA-N 2 2 306.494 3.164 20 0 DGADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000336837571 253004375 /nfs/dbraw/zinc/00/43/75/253004375.db2.gz OLBRGDZXELLZSJ-ZDUSSCGKSA-N 2 2 311.495 3.014 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000249583466 285081028 /nfs/dbraw/zinc/08/10/28/285081028.db2.gz NVFPUFCJDJQKMW-CVEARBPZSA-N 2 2 322.518 3.416 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000249583466 285081033 /nfs/dbraw/zinc/08/10/33/285081033.db2.gz NVFPUFCJDJQKMW-CVEARBPZSA-N 2 2 322.518 3.416 20 0 DGADLP CCC1(CC)C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336876953 253017672 /nfs/dbraw/zinc/01/76/72/253017672.db2.gz WNDNNESNPVTAOB-INIZCTEOSA-N 2 2 315.461 3.136 20 0 DGADLP COc1cccc(CCC[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337040806 253039434 /nfs/dbraw/zinc/03/94/34/253039434.db2.gz AZORGYXUIRHFQK-UXHICEINSA-N 2 2 310.441 3.055 20 0 DGADLP COc1cccc(CCC[N@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337040806 253039435 /nfs/dbraw/zinc/03/94/35/253039435.db2.gz AZORGYXUIRHFQK-UXHICEINSA-N 2 2 310.441 3.055 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337323325 253086770 /nfs/dbraw/zinc/08/67/70/253086770.db2.gz AJBSLDMAFDPDBI-AOIWGVFYSA-N 2 2 301.478 3.429 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337323325 253086772 /nfs/dbraw/zinc/08/67/72/253086772.db2.gz AJBSLDMAFDPDBI-AOIWGVFYSA-N 2 2 301.478 3.429 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337375368 253100366 /nfs/dbraw/zinc/10/03/66/253100366.db2.gz AWYZMTCVHHIJNA-RTBURBONSA-N 2 2 313.445 3.226 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400702 253107696 /nfs/dbraw/zinc/10/76/96/253107696.db2.gz QWSKFDGCEHKSRZ-NVXWUHKLSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400702 253107698 /nfs/dbraw/zinc/10/76/98/253107698.db2.gz QWSKFDGCEHKSRZ-NVXWUHKLSA-N 2 2 320.477 3.017 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000337471880 253122155 /nfs/dbraw/zinc/12/21/55/253122155.db2.gz WBIBYXYSYLONLY-INIZCTEOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000337471880 253122156 /nfs/dbraw/zinc/12/21/56/253122156.db2.gz WBIBYXYSYLONLY-INIZCTEOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000338291227 253258554 /nfs/dbraw/zinc/25/85/54/253258554.db2.gz LHFZRRPIERBUIT-DYEKYZERSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000338291227 253258556 /nfs/dbraw/zinc/25/85/56/253258556.db2.gz LHFZRRPIERBUIT-DYEKYZERSA-N 2 2 308.495 3.150 20 0 DGADLP CC[NH+](CC)CCCN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000338323653 253265278 /nfs/dbraw/zinc/26/52/78/253265278.db2.gz WMANEHFWLHPHRJ-UHFFFAOYSA-N 2 2 314.477 3.095 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338778802 253350194 /nfs/dbraw/zinc/35/01/94/253350194.db2.gz RGXGPCNJXKVCBU-UHFFFAOYSA-N 2 2 308.510 3.434 20 0 DGADLP CCc1oc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C(=O)OC ZINC000338943380 253374221 /nfs/dbraw/zinc/37/42/21/253374221.db2.gz XRJDTWMJXOPZMA-INIZCTEOSA-N 2 2 324.465 3.085 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccn(C(C)C)n1)CCC2 ZINC000341246240 253772551 /nfs/dbraw/zinc/77/25/51/253772551.db2.gz HGCNGDHZHJRYFG-GDBMZVCRSA-N 2 2 315.465 3.067 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772924 296386694 /nfs/dbraw/zinc/38/66/94/296386694.db2.gz ZHRBOYPDIZSOKC-XMTFNYHQSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772924 296386695 /nfs/dbraw/zinc/38/66/95/296386695.db2.gz ZHRBOYPDIZSOKC-XMTFNYHQSA-N 3 2 307.526 3.007 20 0 DGADLP Clc1ccc(/C=C\C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255542636 285162665 /nfs/dbraw/zinc/16/26/65/285162665.db2.gz KUOQVJBXMPYWRA-NLVOMGJBSA-N 2 2 320.864 3.007 20 0 DGADLP Clc1ccc(/C=C\C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255542636 285162669 /nfs/dbraw/zinc/16/26/69/285162669.db2.gz KUOQVJBXMPYWRA-NLVOMGJBSA-N 2 2 320.864 3.007 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777673 254047614 /nfs/dbraw/zinc/04/76/14/254047614.db2.gz IARKFGDKRSLGGW-GOEBONIOSA-N 2 2 304.482 3.079 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777673 254047615 /nfs/dbraw/zinc/04/76/15/254047615.db2.gz IARKFGDKRSLGGW-GOEBONIOSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777673 254047616 /nfs/dbraw/zinc/04/76/16/254047616.db2.gz IARKFGDKRSLGGW-GOEBONIOSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@@H]1C ZINC000342777673 254047617 /nfs/dbraw/zinc/04/76/17/254047617.db2.gz IARKFGDKRSLGGW-GOEBONIOSA-N 2 2 304.482 3.079 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(C(C)(C)C)nc1)[NH+]1CCCCC1 ZINC000342785832 254049081 /nfs/dbraw/zinc/04/90/81/254049081.db2.gz WPDPGXVWFDAXKL-HNNXBMFYSA-N 2 2 304.482 3.128 20 0 DGADLP CCc1nc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc(C)[nH+]1 ZINC000342834619 254062378 /nfs/dbraw/zinc/06/23/78/254062378.db2.gz JUPKULKTXKWQOY-CQSZACIVSA-N 2 2 316.474 3.292 20 0 DGADLP C[NH+](CCCCC[N@@H+](C)Cc1cscn1)Cc1cscn1 ZINC000157641455 197203884 /nfs/dbraw/zinc/20/38/84/197203884.db2.gz JLUDYNUVCUVSHZ-UHFFFAOYSA-N 2 2 324.519 3.334 20 0 DGADLP C[NH+](CCCCC[N@H+](C)Cc1cscn1)Cc1cscn1 ZINC000157641455 197203885 /nfs/dbraw/zinc/20/38/85/197203885.db2.gz JLUDYNUVCUVSHZ-UHFFFAOYSA-N 2 2 324.519 3.334 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000343456800 254146547 /nfs/dbraw/zinc/14/65/47/254146547.db2.gz OGCWGJRRBHSKPG-IUODEOHRSA-N 2 2 323.362 3.438 20 0 DGADLP CCCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000343973526 254208437 /nfs/dbraw/zinc/20/84/37/254208437.db2.gz HPFUBQJNZCVHKA-MJGOQNOKSA-N 2 2 304.478 3.476 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000343946316 254205354 /nfs/dbraw/zinc/20/53/54/254205354.db2.gz XCTHBJOQPNKOKE-HOTGVXAUSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000343946316 254205355 /nfs/dbraw/zinc/20/53/55/254205355.db2.gz XCTHBJOQPNKOKE-HOTGVXAUSA-N 2 2 320.477 3.217 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)c2)c[nH+]1 ZINC000344090554 254223463 /nfs/dbraw/zinc/22/34/63/254223463.db2.gz CLKYXPUWUNNCFN-OTWHNJEPSA-N 2 2 323.440 3.310 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C12CCCC2 ZINC000344157828 254233578 /nfs/dbraw/zinc/23/35/78/254233578.db2.gz BJZFXRMEEGKOMU-HZPDHXFCSA-N 2 2 303.450 3.211 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000344194926 254237717 /nfs/dbraw/zinc/23/77/17/254237717.db2.gz IAFIQTUEIJMMSE-WMLDXEAASA-N 2 2 304.482 3.040 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000344194926 254237718 /nfs/dbraw/zinc/23/77/18/254237718.db2.gz IAFIQTUEIJMMSE-WMLDXEAASA-N 2 2 304.482 3.040 20 0 DGADLP CCc1cnc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)s1 ZINC000344205695 254239044 /nfs/dbraw/zinc/23/90/44/254239044.db2.gz FTADLHYRRLJRGR-UHFFFAOYSA-N 2 2 314.458 3.315 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)C1 ZINC000344280401 254250173 /nfs/dbraw/zinc/25/01/73/254250173.db2.gz WIEVFUYGDMSZHK-QAPCUYQASA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)C1 ZINC000344280401 254250175 /nfs/dbraw/zinc/25/01/75/254250175.db2.gz WIEVFUYGDMSZHK-QAPCUYQASA-N 2 2 302.462 3.047 20 0 DGADLP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587122 254285447 /nfs/dbraw/zinc/28/54/47/254285447.db2.gz RXWFXHABWUEXQV-KSZLIROESA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587122 254285449 /nfs/dbraw/zinc/28/54/49/254285449.db2.gz RXWFXHABWUEXQV-KSZLIROESA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587122 254285451 /nfs/dbraw/zinc/28/54/51/254285451.db2.gz RXWFXHABWUEXQV-KSZLIROESA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587122 254285453 /nfs/dbraw/zinc/28/54/53/254285453.db2.gz RXWFXHABWUEXQV-KSZLIROESA-N 2 2 324.509 3.447 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C(C)C ZINC000344737248 254301166 /nfs/dbraw/zinc/30/11/66/254301166.db2.gz BHRRBYGLVPOEBJ-QXAKKESOSA-N 2 2 304.478 3.158 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000344737248 254301168 /nfs/dbraw/zinc/30/11/68/254301168.db2.gz BHRRBYGLVPOEBJ-QXAKKESOSA-N 2 2 304.478 3.158 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000345349508 254356319 /nfs/dbraw/zinc/35/63/19/254356319.db2.gz MYJBRZOBYWQMGB-OALUTQOASA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000345349508 254356320 /nfs/dbraw/zinc/35/63/20/254356320.db2.gz MYJBRZOBYWQMGB-OALUTQOASA-N 2 2 324.472 3.220 20 0 DGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000272181211 285209758 /nfs/dbraw/zinc/20/97/58/285209758.db2.gz FWGRRISDFOLZJA-ZBFHGGJFSA-N 2 2 314.433 3.296 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287402147 285240752 /nfs/dbraw/zinc/24/07/52/285240752.db2.gz QXXLRZWTRRNHMM-URLQWDBASA-N 2 2 312.461 3.042 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287402147 285240754 /nfs/dbraw/zinc/24/07/54/285240754.db2.gz QXXLRZWTRRNHMM-URLQWDBASA-N 2 2 312.461 3.042 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CCCC1 ZINC000446838248 285238491 /nfs/dbraw/zinc/23/84/91/285238491.db2.gz GIKZARQYXNDOLV-RTBURBONSA-N 2 2 304.478 3.393 20 0 DGADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[NH2+]C3)s2)cc1 ZINC000415103532 533192942 /nfs/dbraw/zinc/19/29/42/533192942.db2.gz KNSSDSAAOZSJNB-FZMZJTMJSA-N 2 2 317.458 3.140 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507048 285269061 /nfs/dbraw/zinc/26/90/61/285269061.db2.gz CHLRVKQGORVHOJ-ZAWLATJESA-N 2 2 324.472 3.389 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507048 285269062 /nfs/dbraw/zinc/26/90/62/285269062.db2.gz CHLRVKQGORVHOJ-ZAWLATJESA-N 2 2 324.472 3.389 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198810 285282085 /nfs/dbraw/zinc/28/20/85/285282085.db2.gz OCPBEUSVWVQFFZ-ZWKOTPCHSA-N 2 2 324.509 3.162 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198810 285282086 /nfs/dbraw/zinc/28/20/86/285282086.db2.gz OCPBEUSVWVQFFZ-ZWKOTPCHSA-N 2 2 324.509 3.162 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@@H+]1Cc1ccccc1 ZINC000271566024 209017384 /nfs/dbraw/zinc/01/73/84/209017384.db2.gz SVEHAAJLWZOGLF-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@H+]1Cc1ccccc1 ZINC000271566024 209017386 /nfs/dbraw/zinc/01/73/86/209017386.db2.gz SVEHAAJLWZOGLF-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]1 ZINC000271563393 209015558 /nfs/dbraw/zinc/01/55/58/209015558.db2.gz UQSBFHMASXBLIU-STQMWFEESA-N 2 2 324.432 3.273 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000289489601 221013951 /nfs/dbraw/zinc/01/39/51/221013951.db2.gz CIESKAGWHJGZRZ-HNNXBMFYSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000289489601 221013952 /nfs/dbraw/zinc/01/39/52/221013952.db2.gz CIESKAGWHJGZRZ-HNNXBMFYSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1ccc([C@@H]2COCC[N@@H+]2CCCc2c[nH+]ccc2C)o1 ZINC000289507636 221026184 /nfs/dbraw/zinc/02/61/84/221026184.db2.gz FAJPCCWAPDZCBE-KRWDZBQOSA-N 2 2 300.402 3.298 20 0 DGADLP Cc1ccc([C@@H]2COCC[N@H+]2CCCc2c[nH+]ccc2C)o1 ZINC000289507636 221026187 /nfs/dbraw/zinc/02/61/87/221026187.db2.gz FAJPCCWAPDZCBE-KRWDZBQOSA-N 2 2 300.402 3.298 20 0 DGADLP Cc1ccc([C@H]2COCC[N@@H+]2CCCc2c[nH+]ccc2C)o1 ZINC000289507646 221027300 /nfs/dbraw/zinc/02/73/00/221027300.db2.gz FAJPCCWAPDZCBE-QGZVFWFLSA-N 2 2 300.402 3.298 20 0 DGADLP Cc1ccc([C@H]2COCC[N@H+]2CCCc2c[nH+]ccc2C)o1 ZINC000289507646 221027302 /nfs/dbraw/zinc/02/73/02/221027302.db2.gz FAJPCCWAPDZCBE-QGZVFWFLSA-N 2 2 300.402 3.298 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616814 221104767 /nfs/dbraw/zinc/10/47/67/221104767.db2.gz URUUMKFPTTUONR-ZWNOBZJWSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616814 221104769 /nfs/dbraw/zinc/10/47/69/221104769.db2.gz URUUMKFPTTUONR-ZWNOBZJWSA-N 2 2 317.260 3.099 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289681788 221150742 /nfs/dbraw/zinc/15/07/42/221150742.db2.gz CLXDJMOFONHOGD-GOSISDBHSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289681788 221150744 /nfs/dbraw/zinc/15/07/44/221150744.db2.gz CLXDJMOFONHOGD-GOSISDBHSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289681788 221150745 /nfs/dbraw/zinc/15/07/45/221150745.db2.gz CLXDJMOFONHOGD-GOSISDBHSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1c[nH]nc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289681788 221150749 /nfs/dbraw/zinc/15/07/49/221150749.db2.gz CLXDJMOFONHOGD-GOSISDBHSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1noc([C@@H]2CCCC[N@@H+]2CCCc2c[nH+]ccc2C)n1 ZINC000289864653 221278725 /nfs/dbraw/zinc/27/87/25/221278725.db2.gz QVMIOSOROUUIOH-INIZCTEOSA-N 2 2 300.406 3.241 20 0 DGADLP Cc1noc([C@@H]2CCCC[N@H+]2CCCc2c[nH+]ccc2C)n1 ZINC000289864653 221278727 /nfs/dbraw/zinc/27/87/27/221278727.db2.gz QVMIOSOROUUIOH-INIZCTEOSA-N 2 2 300.406 3.241 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000289895361 221299515 /nfs/dbraw/zinc/29/95/15/221299515.db2.gz SVBODURFZGFSGL-HNNXBMFYSA-N 2 2 321.428 3.184 20 0 DGADLP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc(C(F)(F)F)cs1 ZINC000289976145 221355195 /nfs/dbraw/zinc/35/51/95/221355195.db2.gz JJNIKQBJMLXGSR-SNVBAGLBSA-N 2 2 318.368 3.179 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000121329006 195304410 /nfs/dbraw/zinc/30/44/10/195304410.db2.gz ODDDHOXXWSNEEX-UHFFFAOYSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000121329006 195304413 /nfs/dbraw/zinc/30/44/13/195304413.db2.gz ODDDHOXXWSNEEX-UHFFFAOYSA-N 2 2 304.438 3.166 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000121600310 195313472 /nfs/dbraw/zinc/31/34/72/195313472.db2.gz JJFBPCPCQJMSNP-UHFFFAOYSA-N 2 2 324.428 3.308 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000356583189 285396546 /nfs/dbraw/zinc/39/65/46/285396546.db2.gz VANQFMGAURRYGK-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000356583189 285396548 /nfs/dbraw/zinc/39/65/48/285396548.db2.gz VANQFMGAURRYGK-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000356583189 285396550 /nfs/dbraw/zinc/39/65/50/285396550.db2.gz VANQFMGAURRYGK-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000356583189 285396553 /nfs/dbraw/zinc/39/65/53/285396553.db2.gz VANQFMGAURRYGK-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000356583189 285396555 /nfs/dbraw/zinc/39/65/55/285396555.db2.gz VANQFMGAURRYGK-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000356583189 285396557 /nfs/dbraw/zinc/39/65/57/285396557.db2.gz VANQFMGAURRYGK-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636481 533519830 /nfs/dbraw/zinc/51/98/30/533519830.db2.gz BTNUFORLZKCFSZ-SJLPKXTDSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636481 533519832 /nfs/dbraw/zinc/51/98/32/533519832.db2.gz BTNUFORLZKCFSZ-SJLPKXTDSA-N 2 2 312.457 3.337 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CC2 ZINC000297710168 132029888 /nfs/dbraw/zinc/02/98/88/132029888.db2.gz MTARHZUAVBWPNT-LJQANCHMSA-N 2 2 324.472 3.494 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000163810240 132122893 /nfs/dbraw/zinc/12/28/93/132122893.db2.gz OKJBCQBEOLRHCD-ZFWWWQNUSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000163810240 132122894 /nfs/dbraw/zinc/12/28/94/132122894.db2.gz OKJBCQBEOLRHCD-ZFWWWQNUSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000356885354 285540512 /nfs/dbraw/zinc/54/05/12/285540512.db2.gz XHIDDOHQYPHKQQ-YTQUADARSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000357780097 285865609 /nfs/dbraw/zinc/86/56/09/285865609.db2.gz UAFZNRUBEZFJMH-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]1 ZINC000092071985 400152272 /nfs/dbraw/zinc/15/22/72/400152272.db2.gz SRRFFEIRMXDNDW-HNNXBMFYSA-N 2 2 307.401 3.179 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)[nH]1 ZINC000092071985 400152276 /nfs/dbraw/zinc/15/22/76/400152276.db2.gz SRRFFEIRMXDNDW-HNNXBMFYSA-N 2 2 307.401 3.179 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770671 400254762 /nfs/dbraw/zinc/25/47/62/400254762.db2.gz CTEGQPMQUNZRBX-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770671 400254766 /nfs/dbraw/zinc/25/47/66/400254766.db2.gz CTEGQPMQUNZRBX-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770671 400254772 /nfs/dbraw/zinc/25/47/72/400254772.db2.gz CTEGQPMQUNZRBX-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(C)o3)s2)C1 ZINC000093770671 400254778 /nfs/dbraw/zinc/25/47/78/400254778.db2.gz CTEGQPMQUNZRBX-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP C[C@H]1C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H]1[NH3+] ZINC000094341759 400272962 /nfs/dbraw/zinc/27/29/62/400272962.db2.gz YXHVTBZDCIOEMY-FZMZJTMJSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@@H]1[NH3+] ZINC000094341759 400272965 /nfs/dbraw/zinc/27/29/65/400272965.db2.gz YXHVTBZDCIOEMY-FZMZJTMJSA-N 2 2 305.809 3.164 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)CC(C)(C)C[NH3+] ZINC000093874212 400260693 /nfs/dbraw/zinc/26/06/93/400260693.db2.gz QHTVKVABYJPXJN-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)CC(C)(C)C[NH3+] ZINC000093874212 400260696 /nfs/dbraw/zinc/26/06/96/400260696.db2.gz QHTVKVABYJPXJN-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858282 400409515 /nfs/dbraw/zinc/40/95/15/400409515.db2.gz RIYMZUZTBFYMOL-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858282 400409519 /nfs/dbraw/zinc/40/95/19/400409519.db2.gz RIYMZUZTBFYMOL-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858282 400409521 /nfs/dbraw/zinc/40/95/21/400409521.db2.gz RIYMZUZTBFYMOL-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000072858282 400409526 /nfs/dbraw/zinc/40/95/26/400409526.db2.gz RIYMZUZTBFYMOL-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000045134741 400512401 /nfs/dbraw/zinc/51/24/01/400512401.db2.gz VETIQIPHWUOCRY-NSHDSACASA-N 2 2 317.296 3.331 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000045134741 400512404 /nfs/dbraw/zinc/51/24/04/400512404.db2.gz VETIQIPHWUOCRY-NSHDSACASA-N 2 2 317.296 3.331 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)n1C ZINC000597150376 400570257 /nfs/dbraw/zinc/57/02/57/400570257.db2.gz QTWQUBZLWNTWOX-HNNXBMFYSA-N 2 2 321.465 3.062 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)n1C ZINC000597150376 400570263 /nfs/dbraw/zinc/57/02/63/400570263.db2.gz QTWQUBZLWNTWOX-HNNXBMFYSA-N 2 2 321.465 3.062 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915374 400578446 /nfs/dbraw/zinc/57/84/46/400578446.db2.gz FGWBXQWKBRDVQW-ZBFHGGJFSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915374 400578448 /nfs/dbraw/zinc/57/84/48/400578448.db2.gz FGWBXQWKBRDVQW-ZBFHGGJFSA-N 2 2 323.400 3.331 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CC)c1 ZINC000130578053 400540100 /nfs/dbraw/zinc/54/01/00/400540100.db2.gz GUZARSDIJPSMIA-OAHLLOKOSA-N 2 2 300.406 3.026 20 0 DGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cnc21 ZINC000591869424 400568586 /nfs/dbraw/zinc/56/85/86/400568586.db2.gz VMKOLPQOAAIFOG-KRWDZBQOSA-N 2 2 324.432 3.046 20 0 DGADLP CCC[NH+](CCC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000076407605 400653944 /nfs/dbraw/zinc/65/39/44/400653944.db2.gz HSKWOGDRFQXLPM-MRXNPFEDSA-N 2 2 303.450 3.136 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000052209871 400723767 /nfs/dbraw/zinc/72/37/67/400723767.db2.gz USKMRHHYVLRXTG-UHFFFAOYSA-N 2 2 322.497 3.311 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000052209871 400723771 /nfs/dbraw/zinc/72/37/71/400723771.db2.gz USKMRHHYVLRXTG-UHFFFAOYSA-N 2 2 322.497 3.311 20 0 DGADLP c1cn2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)nc2s1 ZINC000358094926 285969778 /nfs/dbraw/zinc/96/97/78/285969778.db2.gz GRRVUOOADWSILF-UHFFFAOYSA-N 2 2 318.490 3.283 20 0 DGADLP CS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000593654111 400887945 /nfs/dbraw/zinc/88/79/45/400887945.db2.gz QDAGSXOKHBFPEL-QZTJIDSGSA-N 2 2 319.518 3.310 20 0 DGADLP C[N@@H+](Cc1sccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000172351247 400822995 /nfs/dbraw/zinc/82/29/95/400822995.db2.gz YMUYHVBTHWASBB-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP C[N@H+](Cc1sccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000172351247 400822999 /nfs/dbraw/zinc/82/29/99/400822999.db2.gz YMUYHVBTHWASBB-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1sccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000172351247 400823005 /nfs/dbraw/zinc/82/30/05/400823005.db2.gz YMUYHVBTHWASBB-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1sccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000172351247 400823008 /nfs/dbraw/zinc/82/30/08/400823008.db2.gz YMUYHVBTHWASBB-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000172788174 400838802 /nfs/dbraw/zinc/83/88/02/400838802.db2.gz UNBBPIKZWRXTBN-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000172788174 400838807 /nfs/dbraw/zinc/83/88/07/400838807.db2.gz UNBBPIKZWRXTBN-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614388383 400891494 /nfs/dbraw/zinc/89/14/94/400891494.db2.gz WIWFXDQYJVENRI-HZPDHXFCSA-N 2 2 312.461 3.087 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960513 401007256 /nfs/dbraw/zinc/00/72/56/401007256.db2.gz CEEUURHGKIYRJG-CYBMUJFWSA-N 2 2 307.344 3.391 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960513 401007261 /nfs/dbraw/zinc/00/72/61/401007261.db2.gz CEEUURHGKIYRJG-CYBMUJFWSA-N 2 2 307.344 3.391 20 0 DGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959347 401007395 /nfs/dbraw/zinc/00/73/95/401007395.db2.gz RKLOQPAIJQIQAL-AWEZNQCLSA-N 2 2 322.412 3.262 20 0 DGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959347 401007401 /nfs/dbraw/zinc/00/74/01/401007401.db2.gz RKLOQPAIJQIQAL-AWEZNQCLSA-N 2 2 322.412 3.262 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959773 401008059 /nfs/dbraw/zinc/00/80/59/401008059.db2.gz KKHCTTFYCITRCA-ZDUSSCGKSA-N 2 2 307.344 3.391 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959773 401008068 /nfs/dbraw/zinc/00/80/68/401008068.db2.gz KKHCTTFYCITRCA-ZDUSSCGKSA-N 2 2 307.344 3.391 20 0 DGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959465 401008161 /nfs/dbraw/zinc/00/81/61/401008161.db2.gz UEBUEHONASQIIE-INIZCTEOSA-N 2 2 320.481 3.018 20 0 DGADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959465 401008166 /nfs/dbraw/zinc/00/81/66/401008166.db2.gz UEBUEHONASQIIE-INIZCTEOSA-N 2 2 320.481 3.018 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)OCO2 ZINC000057621888 401015467 /nfs/dbraw/zinc/01/54/67/401015467.db2.gz CADDHYPLMYQHFB-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)OCO2 ZINC000057621888 401015468 /nfs/dbraw/zinc/01/54/68/401015468.db2.gz CADDHYPLMYQHFB-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000629540308 400967284 /nfs/dbraw/zinc/96/72/84/400967284.db2.gz VVJGRIJEKLNRRT-JFGNBEQYSA-N 2 2 315.230 3.379 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CCC2 ZINC000629556557 400973708 /nfs/dbraw/zinc/97/37/08/400973708.db2.gz SHBUBFDQCIFDHW-FGTMMUONSA-N 2 2 320.864 3.074 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629561296 400975447 /nfs/dbraw/zinc/97/54/47/400975447.db2.gz HOFQGDYRAFDHIC-MNOVXSKESA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629561296 400975451 /nfs/dbraw/zinc/97/54/51/400975451.db2.gz HOFQGDYRAFDHIC-MNOVXSKESA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561721 400977053 /nfs/dbraw/zinc/97/70/53/400977053.db2.gz YLJIZRVILIOATP-JQWIXIFHSA-N 2 2 322.758 3.005 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561721 400977058 /nfs/dbraw/zinc/97/70/58/400977058.db2.gz YLJIZRVILIOATP-JQWIXIFHSA-N 2 2 322.758 3.005 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561910 400978233 /nfs/dbraw/zinc/97/82/33/400978233.db2.gz LIQBMPBTAAIMJF-SCDSUCTJSA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561910 400978240 /nfs/dbraw/zinc/97/82/40/400978240.db2.gz LIQBMPBTAAIMJF-SCDSUCTJSA-N 2 2 304.331 3.346 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000236688304 400979684 /nfs/dbraw/zinc/97/96/84/400979684.db2.gz LOSLXPFXNFBUPP-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000236688304 400979693 /nfs/dbraw/zinc/97/96/93/400979693.db2.gz LOSLXPFXNFBUPP-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cscc2Cl)CC[C@H]1C(F)(F)F ZINC000629657408 401022529 /nfs/dbraw/zinc/02/25/29/401022529.db2.gz XNFIPSFEGGGEES-PSASIEDQSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cscc2Cl)CC[C@H]1C(F)(F)F ZINC000629657408 401022531 /nfs/dbraw/zinc/02/25/31/401022531.db2.gz XNFIPSFEGGGEES-PSASIEDQSA-N 2 2 312.788 3.361 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000599340160 401026372 /nfs/dbraw/zinc/02/63/72/401026372.db2.gz BVBLYYUBWTWLJK-MRXNPFEDSA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000599340160 401026386 /nfs/dbraw/zinc/02/63/86/401026386.db2.gz BVBLYYUBWTWLJK-MRXNPFEDSA-N 2 2 321.465 3.346 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224289 286002885 /nfs/dbraw/zinc/00/28/85/286002885.db2.gz BTLOQMHZMCHVEI-VLIAUNLRSA-N 2 2 324.424 3.303 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224289 286002886 /nfs/dbraw/zinc/00/28/86/286002886.db2.gz BTLOQMHZMCHVEI-VLIAUNLRSA-N 2 2 324.424 3.303 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)n2c1 ZINC000594622953 401138816 /nfs/dbraw/zinc/13/88/16/401138816.db2.gz KNHOBKYKYPXBJF-INIZCTEOSA-N 2 2 317.433 3.099 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(=O)OC(C)(C)C ZINC000594518752 401096174 /nfs/dbraw/zinc/09/61/74/401096174.db2.gz KVIBTUZXVSNRAH-OAHLLOKOSA-N 2 2 317.433 3.038 20 0 DGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625543651 401152949 /nfs/dbraw/zinc/15/29/49/401152949.db2.gz CUIBQBGTRQDZIE-MRXNPFEDSA-N 2 2 314.473 3.033 20 0 DGADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258249 286013377 /nfs/dbraw/zinc/01/33/77/286013377.db2.gz SOUFGRGSVUVRLV-HUUCEWRRSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358258249 286013378 /nfs/dbraw/zinc/01/33/78/286013378.db2.gz SOUFGRGSVUVRLV-HUUCEWRRSA-N 2 2 317.260 3.101 20 0 DGADLP FC1(F)CCC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000358290459 286021852 /nfs/dbraw/zinc/02/18/52/286021852.db2.gz DYDWXHGQWDAKKB-INIZCTEOSA-N 2 2 309.404 3.214 20 0 DGADLP COc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000608057094 401177648 /nfs/dbraw/zinc/17/76/48/401177648.db2.gz HJWFDTIVAJDXNO-MRXNPFEDSA-N 2 2 323.396 3.265 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000621351280 401179144 /nfs/dbraw/zinc/17/91/44/401179144.db2.gz LMNKIFKLKDWEPK-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000621351280 401179150 /nfs/dbraw/zinc/17/91/50/401179150.db2.gz LMNKIFKLKDWEPK-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccncc1Cl)Cc1ccccc1 ZINC000088781127 401209072 /nfs/dbraw/zinc/20/90/72/401209072.db2.gz MPHUGNHGNXTAEX-UHFFFAOYSA-N 2 2 303.837 3.347 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccncc1Cl)Cc1ccccc1 ZINC000088781127 401209075 /nfs/dbraw/zinc/20/90/75/401209075.db2.gz MPHUGNHGNXTAEX-UHFFFAOYSA-N 2 2 303.837 3.347 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CO2 ZINC000090452919 401266539 /nfs/dbraw/zinc/26/65/39/401266539.db2.gz NYTXMQXGNMUUNX-LJQANCHMSA-N 2 2 323.440 3.078 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1F ZINC000090525165 401267995 /nfs/dbraw/zinc/26/79/95/401267995.db2.gz METGEKOOVIMOFL-KYNGSXCRSA-N 2 2 320.452 3.244 20 0 DGADLP Cc1cc(C)cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000065932198 401286231 /nfs/dbraw/zinc/28/62/31/401286231.db2.gz UMMGHPNDCWBBMY-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000090047225 401249186 /nfs/dbraw/zinc/24/91/86/401249186.db2.gz GIOMLJROLDRSSY-FUHWJXTLSA-N 2 2 320.477 3.155 20 0 DGADLP COC[C@H](C)[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000626134910 401309787 /nfs/dbraw/zinc/30/97/87/401309787.db2.gz QAKYSFUWTDOTAA-LPHOPBHVSA-N 2 2 313.445 3.298 20 0 DGADLP COC[C@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000626134910 401309790 /nfs/dbraw/zinc/30/97/90/401309790.db2.gz QAKYSFUWTDOTAA-LPHOPBHVSA-N 2 2 313.445 3.298 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634681081 401332234 /nfs/dbraw/zinc/33/22/34/401332234.db2.gz INAWKNCSPSKLEE-YJBOKZPZSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003532 401334998 /nfs/dbraw/zinc/33/49/98/401334998.db2.gz AZBPPBLXAQWLOP-PXNSSMCTSA-N 2 2 323.440 3.496 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003532 401335002 /nfs/dbraw/zinc/33/50/02/401335002.db2.gz AZBPPBLXAQWLOP-PXNSSMCTSA-N 2 2 323.440 3.496 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003534 401335041 /nfs/dbraw/zinc/33/50/41/401335041.db2.gz AZBPPBLXAQWLOP-YLJYHZDGSA-N 2 2 323.440 3.496 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003534 401335046 /nfs/dbraw/zinc/33/50/46/401335046.db2.gz AZBPPBLXAQWLOP-YLJYHZDGSA-N 2 2 323.440 3.496 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OCC(C)C ZINC000622006000 401335244 /nfs/dbraw/zinc/33/52/44/401335244.db2.gz RLDVDYJZRWRWIR-LPHOPBHVSA-N 2 2 318.461 3.043 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OCC(C)C ZINC000622006000 401335247 /nfs/dbraw/zinc/33/52/47/401335247.db2.gz RLDVDYJZRWRWIR-LPHOPBHVSA-N 2 2 318.461 3.043 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004520 401335315 /nfs/dbraw/zinc/33/53/15/401335315.db2.gz PUZFQDCKYMJYDO-FXAWDEMLSA-N 2 2 322.456 3.163 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622004520 401335319 /nfs/dbraw/zinc/33/53/19/401335319.db2.gz PUZFQDCKYMJYDO-FXAWDEMLSA-N 2 2 322.456 3.163 20 0 DGADLP Cc1cccc2[nH+]c(CN3CC[C@H](C[NH3+])c4ccccc43)cn21 ZINC000634690172 401335746 /nfs/dbraw/zinc/33/57/46/401335746.db2.gz FTZMRTOMWHVYJR-OAHLLOKOSA-N 2 2 306.413 3.095 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nc(C)no1 ZINC000626061942 401291938 /nfs/dbraw/zinc/29/19/38/401291938.db2.gz ABQPDWQMQICWBI-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nc(C)no1 ZINC000626061942 401291941 /nfs/dbraw/zinc/29/19/41/401291941.db2.gz ABQPDWQMQICWBI-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2C)CC1 ZINC000626086507 401296135 /nfs/dbraw/zinc/29/61/35/401296135.db2.gz DUHXOJLHKNTXRE-UHFFFAOYSA-N 2 2 302.462 3.072 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783091 401300125 /nfs/dbraw/zinc/30/01/25/401300125.db2.gz XCMGEAZMTFPBQU-PBHICJAKSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783091 401300127 /nfs/dbraw/zinc/30/01/27/401300127.db2.gz XCMGEAZMTFPBQU-PBHICJAKSA-N 2 2 301.821 3.201 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000631052015 401378662 /nfs/dbraw/zinc/37/86/62/401378662.db2.gz MTCQGHYLTCOVCV-UHFFFAOYSA-N 2 2 322.412 3.244 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991090 401397150 /nfs/dbraw/zinc/39/71/50/401397150.db2.gz PLSTZQSGOVXYOG-IFXJQAMLSA-N 2 2 310.445 3.033 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991090 401397152 /nfs/dbraw/zinc/39/71/52/401397152.db2.gz PLSTZQSGOVXYOG-IFXJQAMLSA-N 2 2 310.445 3.033 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631135510 401405514 /nfs/dbraw/zinc/40/55/14/401405514.db2.gz NIURIUCKJIVYIB-ZDUSSCGKSA-N 2 2 313.449 3.003 20 0 DGADLP Cc1nocc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000631208932 401426488 /nfs/dbraw/zinc/42/64/88/401426488.db2.gz ODRAIROABOUGAS-UHFFFAOYSA-N 2 2 319.836 3.391 20 0 DGADLP Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000631258935 401439875 /nfs/dbraw/zinc/43/98/75/401439875.db2.gz FUBWZCTWRGUPHW-GOSISDBHSA-N 2 2 320.440 3.007 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259035 401440039 /nfs/dbraw/zinc/44/00/39/401440039.db2.gz HXMUIAZODDVMQR-OALUTQOASA-N 2 2 314.473 3.261 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259035 401440042 /nfs/dbraw/zinc/44/00/42/401440042.db2.gz HXMUIAZODDVMQR-OALUTQOASA-N 2 2 314.473 3.261 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@@H]3CC[N@H+](C)C3)cc2[nH+]1 ZINC000635440922 401442009 /nfs/dbraw/zinc/44/20/09/401442009.db2.gz DPLKZRMHZHANPN-ZDUSSCGKSA-N 2 2 314.433 3.186 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2[nH+]1 ZINC000635440922 401442014 /nfs/dbraw/zinc/44/20/14/401442014.db2.gz DPLKZRMHZHANPN-ZDUSSCGKSA-N 2 2 314.433 3.186 20 0 DGADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000635474625 401446723 /nfs/dbraw/zinc/44/67/23/401446723.db2.gz XOKCOAAZBRXSIG-LBPRGKRZSA-N 2 2 312.417 3.111 20 0 DGADLP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000635474625 401446725 /nfs/dbraw/zinc/44/67/25/401446725.db2.gz XOKCOAAZBRXSIG-LBPRGKRZSA-N 2 2 312.417 3.111 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(F)c1N)[C@@H](c1ccccc1)[NH+](C)C ZINC000623015256 401454193 /nfs/dbraw/zinc/45/41/93/401454193.db2.gz SBKNSZMEFGFICX-UGSOOPFHSA-N 2 2 301.409 3.189 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000623089097 401462806 /nfs/dbraw/zinc/46/28/06/401462806.db2.gz ULMPONFJZXGLTM-UHFFFAOYSA-N 2 2 315.433 3.087 20 0 DGADLP Fc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc(F)c1F ZINC000623088983 401462839 /nfs/dbraw/zinc/46/28/39/401462839.db2.gz OYOPKKWRXZCRIL-UHFFFAOYSA-N 2 2 322.321 3.171 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000623088760 401463022 /nfs/dbraw/zinc/46/30/22/401463022.db2.gz CQQRNIURQRLJNO-UHFFFAOYSA-N 2 2 315.433 3.087 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000623088296 401463195 /nfs/dbraw/zinc/46/31/95/401463195.db2.gz FHHWAEVMWLTUAW-UHFFFAOYSA-N 2 2 302.796 3.407 20 0 DGADLP Oc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1Cl ZINC000623089654 401463592 /nfs/dbraw/zinc/46/35/92/401463592.db2.gz QXIGIEFTXXSWIA-UHFFFAOYSA-N 2 2 318.795 3.112 20 0 DGADLP Fc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(F)c1F ZINC000623090460 401463721 /nfs/dbraw/zinc/46/37/21/401463721.db2.gz OIZMBGVPRUQOQV-UHFFFAOYSA-N 2 2 322.321 3.171 20 0 DGADLP COc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)ccc1C ZINC000623089629 401463756 /nfs/dbraw/zinc/46/37/56/401463756.db2.gz POGUPTWXTDMCFP-UHFFFAOYSA-N 2 2 312.404 3.070 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000623089352 401464024 /nfs/dbraw/zinc/46/40/24/401464024.db2.gz DIOQLOCOVOUHNF-HNNXBMFYSA-N 2 2 324.415 3.119 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631564569 401498956 /nfs/dbraw/zinc/49/89/56/401498956.db2.gz UAWGWVFLRSJBIO-QGZVFWFLSA-N 2 2 306.413 3.407 20 0 DGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000631566891 401500046 /nfs/dbraw/zinc/50/00/46/401500046.db2.gz UBARIVCZWGDUMA-SFHVURJKSA-N 2 2 311.429 3.048 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000623360960 401500454 /nfs/dbraw/zinc/50/04/54/401500454.db2.gz HSIIYLDULWBNSX-MNOVXSKESA-N 2 2 300.780 3.335 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000623360960 401500458 /nfs/dbraw/zinc/50/04/58/401500458.db2.gz HSIIYLDULWBNSX-MNOVXSKESA-N 2 2 300.780 3.335 20 0 DGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(OC)c1OC ZINC000631572136 401501204 /nfs/dbraw/zinc/50/12/04/401501204.db2.gz NQWMCRAJDMCEBA-MRXNPFEDSA-N 2 2 317.433 3.421 20 0 DGADLP COc1cccc2c1OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000631571595 401501439 /nfs/dbraw/zinc/50/14/39/401501439.db2.gz GLIFNUFACPITKU-MRXNPFEDSA-N 2 2 315.417 3.175 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000631654127 401525646 /nfs/dbraw/zinc/52/56/46/401525646.db2.gz DXMRCLWKQMAGBF-XFHKCVFHSA-N 2 2 320.864 3.385 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000631654127 401525652 /nfs/dbraw/zinc/52/56/52/401525652.db2.gz DXMRCLWKQMAGBF-XFHKCVFHSA-N 2 2 320.864 3.385 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000631661681 401527590 /nfs/dbraw/zinc/52/75/90/401527590.db2.gz BLDWPQMJZRDWHY-NZSAHSFTSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000631661681 401527592 /nfs/dbraw/zinc/52/75/92/401527592.db2.gz BLDWPQMJZRDWHY-NZSAHSFTSA-N 2 2 324.472 3.076 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000631662287 401528398 /nfs/dbraw/zinc/52/83/98/401528398.db2.gz DOUQGBVPPJWLDH-UWWQBHOKSA-N 2 2 313.445 3.402 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000631662287 401528402 /nfs/dbraw/zinc/52/84/02/401528402.db2.gz DOUQGBVPPJWLDH-UWWQBHOKSA-N 2 2 313.445 3.402 20 0 DGADLP CC[N@H+](CCC1CCN(c2cc[nH+]c(C)n2)CC1)CC(C)C ZINC000358457156 286067794 /nfs/dbraw/zinc/06/77/94/286067794.db2.gz LDJGFFDLGYRBON-UHFFFAOYSA-N 2 2 304.482 3.369 20 0 DGADLP CC[N@@H+](CCC1CCN(c2cc[nH+]c(C)n2)CC1)CC(C)C ZINC000358457156 286067796 /nfs/dbraw/zinc/06/77/96/286067796.db2.gz LDJGFFDLGYRBON-UHFFFAOYSA-N 2 2 304.482 3.369 20 0 DGADLP CN(C)c1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc(F)c1F ZINC000628147882 401534344 /nfs/dbraw/zinc/53/43/44/401534344.db2.gz ZREYDSJJKIGOSI-CYBMUJFWSA-N 2 2 320.387 3.134 20 0 DGADLP CN(C)c1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc(F)c1F ZINC000628147882 401534347 /nfs/dbraw/zinc/53/43/47/401534347.db2.gz ZREYDSJJKIGOSI-CYBMUJFWSA-N 2 2 320.387 3.134 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]c1C ZINC000628156711 401537595 /nfs/dbraw/zinc/53/75/95/401537595.db2.gz ZSULMPWDTZBKOT-YOEHRIQHSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]c1C ZINC000628156711 401537597 /nfs/dbraw/zinc/53/75/97/401537597.db2.gz ZSULMPWDTZBKOT-YOEHRIQHSA-N 2 2 304.482 3.113 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000623657020 401563204 /nfs/dbraw/zinc/56/32/04/401563204.db2.gz HZQOVYZRQSWAQE-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2sccc2Br)C1 ZINC000623657020 401563206 /nfs/dbraw/zinc/56/32/06/401563206.db2.gz HZQOVYZRQSWAQE-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000628280637 401566376 /nfs/dbraw/zinc/56/63/76/401566376.db2.gz ZARCQOUAWKTAJH-NSHDSACASA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000628280637 401566379 /nfs/dbraw/zinc/56/63/79/401566379.db2.gz ZARCQOUAWKTAJH-NSHDSACASA-N 2 2 315.364 3.490 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892675 401595081 /nfs/dbraw/zinc/59/50/81/401595081.db2.gz WWGOSXUZQCOKNK-NVXWUHKLSA-N 2 2 309.523 3.042 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892675 401595083 /nfs/dbraw/zinc/59/50/83/401595083.db2.gz WWGOSXUZQCOKNK-NVXWUHKLSA-N 2 2 309.523 3.042 20 0 DGADLP Cc1ccc([C@@H](C)C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000628238665 401557080 /nfs/dbraw/zinc/55/70/80/401557080.db2.gz INOYGKBTGRZGEH-INIZCTEOSA-N 2 2 310.445 3.019 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239489 401558238 /nfs/dbraw/zinc/55/82/38/401558238.db2.gz TUFBYJBLHXNMFO-FOIQADDNSA-N 2 2 320.440 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239489 401558239 /nfs/dbraw/zinc/55/82/39/401558239.db2.gz TUFBYJBLHXNMFO-FOIQADDNSA-N 2 2 320.440 3.173 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859347 401561428 /nfs/dbraw/zinc/56/14/28/401561428.db2.gz MVCIIPMHNRNEGQ-QFBILLFUSA-N 2 2 310.441 3.214 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859347 401561432 /nfs/dbraw/zinc/56/14/32/401561432.db2.gz MVCIIPMHNRNEGQ-QFBILLFUSA-N 2 2 310.441 3.214 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000624100759 401626321 /nfs/dbraw/zinc/62/63/21/401626321.db2.gz CVANFULYKWGQFR-UONOGXRCSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(Cl)c1 ZINC000624100759 401626323 /nfs/dbraw/zinc/62/63/23/401626323.db2.gz CVANFULYKWGQFR-UONOGXRCSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000624113152 401627371 /nfs/dbraw/zinc/62/73/71/401627371.db2.gz YTJQLNMWRBWFFK-UHFFFAOYSA-N 2 2 324.472 3.321 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121992 401629171 /nfs/dbraw/zinc/62/91/71/401629171.db2.gz HKTOVLPXVIUENC-KBPBESRZSA-N 2 2 307.507 3.404 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121992 401629173 /nfs/dbraw/zinc/62/91/73/401629173.db2.gz HKTOVLPXVIUENC-KBPBESRZSA-N 2 2 307.507 3.404 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267436 401645599 /nfs/dbraw/zinc/64/55/99/401645599.db2.gz MYOTZVYWNSGCRM-YWZLYKJASA-N 2 2 307.441 3.321 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267436 401645601 /nfs/dbraw/zinc/64/56/01/401645601.db2.gz MYOTZVYWNSGCRM-YWZLYKJASA-N 2 2 307.441 3.321 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624332960 401652402 /nfs/dbraw/zinc/65/24/02/401652402.db2.gz DKZIBKDMVYUEJL-UZLBHIALSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624332960 401652404 /nfs/dbraw/zinc/65/24/04/401652404.db2.gz DKZIBKDMVYUEJL-UZLBHIALSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC000629396058 401683810 /nfs/dbraw/zinc/68/38/10/401683810.db2.gz IGEHAAPXCUSYFC-RHSMWYFYSA-N 2 2 321.896 3.035 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC000629396336 401683911 /nfs/dbraw/zinc/68/39/11/401683911.db2.gz KPWSMLCOCGFFNP-RDTXWAMCSA-N 2 2 321.896 3.035 20 0 DGADLP c1cn([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C[C@@H]2CCC=CO2)c[nH+]1 ZINC000290663320 296631470 /nfs/dbraw/zinc/63/14/70/296631470.db2.gz ZUWBKGWESBMAMJ-UHOSZYNNSA-N 2 2 309.413 3.394 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358817406 286160826 /nfs/dbraw/zinc/16/08/26/286160826.db2.gz BZCJASZVHMEZDD-QUCCMNQESA-N 3 2 317.521 3.361 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358817406 286160828 /nfs/dbraw/zinc/16/08/28/286160828.db2.gz BZCJASZVHMEZDD-QUCCMNQESA-N 3 2 317.521 3.361 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000358818862 286160833 /nfs/dbraw/zinc/16/08/33/286160833.db2.gz DMVUNPYITZXRDG-RDTXWAMCSA-N 2 2 305.441 3.353 20 0 DGADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000358909450 286184245 /nfs/dbraw/zinc/18/42/45/286184245.db2.gz BELCLQNSBVJESE-HNNXBMFYSA-N 2 2 320.234 3.313 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)C1 ZINC000359117812 286240989 /nfs/dbraw/zinc/24/09/89/286240989.db2.gz SXIIQXNYKVXFHZ-LMCOJAPRSA-N 3 2 319.537 3.246 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000359117812 286240990 /nfs/dbraw/zinc/24/09/90/286240990.db2.gz SXIIQXNYKVXFHZ-LMCOJAPRSA-N 3 2 319.537 3.246 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cn[nH]c2)c(C)c1 ZINC000340541181 292256640 /nfs/dbraw/zinc/25/66/40/292256640.db2.gz JHAYCQRQZGMDAM-QAPCUYQASA-N 2 2 309.417 3.315 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000359387343 286297847 /nfs/dbraw/zinc/29/78/47/286297847.db2.gz WXSUOSBCNFALFD-GFCCVEGCSA-N 2 2 312.429 3.081 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1 ZINC000359527682 286327369 /nfs/dbraw/zinc/32/73/69/286327369.db2.gz UDWHIZAVNZQOPY-MSOLQXFVSA-N 2 2 308.441 3.223 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000359677558 286359112 /nfs/dbraw/zinc/35/91/12/286359112.db2.gz MOVDUTJTWJZKID-IYOUNJFTSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000359677558 286359114 /nfs/dbraw/zinc/35/91/14/286359114.db2.gz MOVDUTJTWJZKID-IYOUNJFTSA-N 2 2 322.880 3.416 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000359680961 286359974 /nfs/dbraw/zinc/35/99/74/286359974.db2.gz RRCGNTLHEDWEQW-RKVPGOIHSA-N 2 2 308.441 3.366 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000359709958 286365817 /nfs/dbraw/zinc/36/58/17/286365817.db2.gz HGLQRYAXJGQXIX-ZIAGYGMSSA-N 2 2 310.404 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000359709958 286365818 /nfs/dbraw/zinc/36/58/18/286365818.db2.gz HGLQRYAXJGQXIX-ZIAGYGMSSA-N 2 2 310.404 3.054 20 0 DGADLP Cc1nc(N2CCC([NH+]3CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000359721933 286367642 /nfs/dbraw/zinc/36/76/42/286367642.db2.gz ZZFPSEJYFQTCPU-UHFFFAOYSA-N 2 2 314.477 3.119 20 0 DGADLP C[N@H+](CCOc1cc(Cl)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000359911802 286386732 /nfs/dbraw/zinc/38/67/32/286386732.db2.gz MPSMANBUDPKGFE-ZDUSSCGKSA-N 2 2 303.233 3.041 20 0 DGADLP C[N@@H+](CCOc1cc(Cl)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000359911802 286386734 /nfs/dbraw/zinc/38/67/34/286386734.db2.gz MPSMANBUDPKGFE-ZDUSSCGKSA-N 2 2 303.233 3.041 20 0 DGADLP COC1(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000359964087 286398135 /nfs/dbraw/zinc/39/81/35/286398135.db2.gz PXNJAMMONFRDGO-UHFFFAOYSA-N 2 2 316.489 3.372 20 0 DGADLP COC1(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)CCCC1 ZINC000359964087 286398136 /nfs/dbraw/zinc/39/81/36/286398136.db2.gz PXNJAMMONFRDGO-UHFFFAOYSA-N 2 2 316.489 3.372 20 0 DGADLP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000360425256 286479052 /nfs/dbraw/zinc/47/90/52/286479052.db2.gz AAOMKBWZKLONKU-MOPGFXCFSA-N 2 2 302.462 3.187 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940770 286928809 /nfs/dbraw/zinc/92/88/09/286928809.db2.gz IZUMZYNEHBMWOA-FVQBIDKESA-N 2 2 304.434 3.029 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284043 287007754 /nfs/dbraw/zinc/00/77/54/287007754.db2.gz RBLLZVVUBZRUMJ-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284043 287007756 /nfs/dbraw/zinc/00/77/56/287007756.db2.gz RBLLZVVUBZRUMJ-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000364284043 287007758 /nfs/dbraw/zinc/00/77/58/287007758.db2.gz RBLLZVVUBZRUMJ-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000364284043 287007760 /nfs/dbraw/zinc/00/77/60/287007760.db2.gz RBLLZVVUBZRUMJ-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(F)nc2)cc1F ZINC000189010553 165146413 /nfs/dbraw/zinc/14/64/13/165146413.db2.gz YIDJTUCHTFKLRY-UHFFFAOYSA-N 2 2 314.339 3.144 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000189325755 165159203 /nfs/dbraw/zinc/15/92/03/165159203.db2.gz YMHSYIYVNQLLNB-KRWDZBQOSA-N 2 2 305.441 3.309 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000189325755 165159204 /nfs/dbraw/zinc/15/92/04/165159204.db2.gz YMHSYIYVNQLLNB-KRWDZBQOSA-N 2 2 305.441 3.309 20 0 DGADLP CC(C)OC1CC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000189521565 165165142 /nfs/dbraw/zinc/16/51/42/165165142.db2.gz RMGAFNVKCIMVPG-UHFFFAOYSA-N 2 2 320.452 3.336 20 0 DGADLP C[C@@H](C[NH2+]Cc1nccn1-c1ccccc1)C[NH+]1CCCCC1 ZINC000190800341 165216795 /nfs/dbraw/zinc/21/67/95/165216795.db2.gz RIKRPVLOPKSIBZ-KRWDZBQOSA-N 2 2 312.461 3.084 20 0 DGADLP CC[NH+](CC)[C@H]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192048776 165280896 /nfs/dbraw/zinc/28/08/96/165280896.db2.gz YUKBCQFYHBMSHJ-IBGZPJMESA-N 2 2 312.461 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CCO)C(C)(C)C ZINC000192164145 165285429 /nfs/dbraw/zinc/28/54/29/165285429.db2.gz SWBHQPNPUCTLCH-KRWDZBQOSA-N 2 2 301.434 3.067 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000192961587 165312547 /nfs/dbraw/zinc/31/25/47/165312547.db2.gz IDWAGJMXYWHVFY-PBHICJAKSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000192961587 165312553 /nfs/dbraw/zinc/31/25/53/165312553.db2.gz IDWAGJMXYWHVFY-PBHICJAKSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000192961587 165312559 /nfs/dbraw/zinc/31/25/59/165312559.db2.gz IDWAGJMXYWHVFY-PBHICJAKSA-N 2 2 318.436 3.283 20 0 DGADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000193873910 165335215 /nfs/dbraw/zinc/33/52/15/165335215.db2.gz HMNYDHBRSUGTLR-QGZVFWFLSA-N 2 2 324.428 3.034 20 0 DGADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000193873910 165335218 /nfs/dbraw/zinc/33/52/18/165335218.db2.gz HMNYDHBRSUGTLR-QGZVFWFLSA-N 2 2 324.428 3.034 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000365271334 287116662 /nfs/dbraw/zinc/11/66/62/287116662.db2.gz URQHSELITUMMTE-UHFFFAOYSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403244 287128323 /nfs/dbraw/zinc/12/83/23/287128323.db2.gz MJHPTEBWRLSLFM-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403244 287128324 /nfs/dbraw/zinc/12/83/24/287128324.db2.gz MJHPTEBWRLSLFM-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261760341 165745329 /nfs/dbraw/zinc/74/53/29/165745329.db2.gz UUPKHUYNYMFQTN-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261760341 165745332 /nfs/dbraw/zinc/74/53/32/165745332.db2.gz UUPKHUYNYMFQTN-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365630719 287156070 /nfs/dbraw/zinc/15/60/70/287156070.db2.gz PCQRTUSSTUFGIG-QGZVFWFLSA-N 2 2 313.445 3.241 20 0 DGADLP COc1ccccc1CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365630719 287156071 /nfs/dbraw/zinc/15/60/71/287156071.db2.gz PCQRTUSSTUFGIG-QGZVFWFLSA-N 2 2 313.445 3.241 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000365633183 287156399 /nfs/dbraw/zinc/15/63/99/287156399.db2.gz CNPQGWFTWHGQGC-ZDUSSCGKSA-N 2 2 312.373 3.048 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000365633183 287156401 /nfs/dbraw/zinc/15/64/01/287156401.db2.gz CNPQGWFTWHGQGC-ZDUSSCGKSA-N 2 2 312.373 3.048 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000365638041 287156812 /nfs/dbraw/zinc/15/68/12/287156812.db2.gz LVEGDSGVWZOPMR-OAHLLOKOSA-N 2 2 321.465 3.112 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000365638041 287156816 /nfs/dbraw/zinc/15/68/16/287156816.db2.gz LVEGDSGVWZOPMR-OAHLLOKOSA-N 2 2 321.465 3.112 20 0 DGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182087977 432158669 /nfs/dbraw/zinc/15/86/69/432158669.db2.gz CLZWKSYOUGJVQN-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182087977 432158672 /nfs/dbraw/zinc/15/86/72/432158672.db2.gz CLZWKSYOUGJVQN-HNNXBMFYSA-N 2 2 301.409 3.322 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000246903087 432179789 /nfs/dbraw/zinc/17/97/89/432179789.db2.gz FIEIIQLIOXLSDG-HBUWYVDXSA-N 2 2 316.445 3.124 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000246903087 432179793 /nfs/dbraw/zinc/17/97/93/432179793.db2.gz FIEIIQLIOXLSDG-HBUWYVDXSA-N 2 2 316.445 3.124 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)Cn2cccn2)[NH+]2CCCC2)cc1 ZINC000138265271 432182098 /nfs/dbraw/zinc/18/20/98/432182098.db2.gz NMJQCJXQLNQKRS-IEBWSBKVSA-N 2 2 312.461 3.007 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246876644 432175465 /nfs/dbraw/zinc/17/54/65/432175465.db2.gz DEIJBFPRFHQOET-XYJFISCASA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246876644 432175470 /nfs/dbraw/zinc/17/54/70/432175470.db2.gz DEIJBFPRFHQOET-XYJFISCASA-N 2 2 304.478 3.300 20 0 DGADLP C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246977698 432186843 /nfs/dbraw/zinc/18/68/43/432186843.db2.gz JMIHBRSPBHPYCD-IAGOWNOFSA-N 2 2 312.461 3.255 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269617391 432188525 /nfs/dbraw/zinc/18/85/25/432188525.db2.gz CYOWADSIKZGYOM-QGZVFWFLSA-N 2 2 324.428 3.422 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000269617391 432188529 /nfs/dbraw/zinc/18/85/29/432188529.db2.gz CYOWADSIKZGYOM-QGZVFWFLSA-N 2 2 324.428 3.422 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000190881372 432197752 /nfs/dbraw/zinc/19/77/52/432197752.db2.gz KAVRRWFXGKKPSS-GXTWGEPZSA-N 2 2 310.388 3.045 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000190881372 432197755 /nfs/dbraw/zinc/19/77/55/432197755.db2.gz KAVRRWFXGKKPSS-GXTWGEPZSA-N 2 2 310.388 3.045 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131240072 196152983 /nfs/dbraw/zinc/15/29/83/196152983.db2.gz MHZMMQZENJPUBV-KRWDZBQOSA-N 2 2 313.445 3.274 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131240072 196152984 /nfs/dbraw/zinc/15/29/84/196152984.db2.gz MHZMMQZENJPUBV-KRWDZBQOSA-N 2 2 313.445 3.274 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000182579684 432206441 /nfs/dbraw/zinc/20/64/41/432206441.db2.gz NXUZCFOBHWLWFQ-CQSZACIVSA-N 2 2 315.417 3.082 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000247183523 432208807 /nfs/dbraw/zinc/20/88/07/432208807.db2.gz VJFLYDSXHBRPOG-YSIASYRMSA-N 2 2 316.489 3.474 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000172553566 432219996 /nfs/dbraw/zinc/21/99/96/432219996.db2.gz RBQYPJZNYFJJNO-DLBZAZTESA-N 2 2 301.434 3.138 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151132530 432221117 /nfs/dbraw/zinc/22/11/17/432221117.db2.gz BTDZAJURDSVHIM-OAHLLOKOSA-N 3 2 309.417 3.118 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000247321764 432221496 /nfs/dbraw/zinc/22/14/96/432221496.db2.gz SMAOTVPDWPRKCC-HUUCEWRRSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000247321764 432221499 /nfs/dbraw/zinc/22/14/99/432221499.db2.gz SMAOTVPDWPRKCC-HUUCEWRRSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000247321764 432221502 /nfs/dbraw/zinc/22/15/02/432221502.db2.gz SMAOTVPDWPRKCC-HUUCEWRRSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000247321764 432221505 /nfs/dbraw/zinc/22/15/05/432221505.db2.gz SMAOTVPDWPRKCC-HUUCEWRRSA-N 2 2 322.449 3.242 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000151125821 432221693 /nfs/dbraw/zinc/22/16/93/432221693.db2.gz QSZDUTSEFZJZKI-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000151125821 432221698 /nfs/dbraw/zinc/22/16/98/432221698.db2.gz QSZDUTSEFZJZKI-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000172584036 432221724 /nfs/dbraw/zinc/22/17/24/432221724.db2.gz ICMNUDBEXUAAGZ-INIZCTEOSA-N 2 2 318.461 3.062 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000172584036 432221729 /nfs/dbraw/zinc/22/17/29/432221729.db2.gz ICMNUDBEXUAAGZ-INIZCTEOSA-N 2 2 318.461 3.062 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000172584036 432221737 /nfs/dbraw/zinc/22/17/37/432221737.db2.gz ICMNUDBEXUAAGZ-INIZCTEOSA-N 2 2 318.461 3.062 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1SC ZINC000151145804 432223612 /nfs/dbraw/zinc/22/36/12/432223612.db2.gz SKLZCTHKWGQGMR-CYBMUJFWSA-N 2 2 305.447 3.355 20 0 DGADLP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131791414 196199651 /nfs/dbraw/zinc/19/96/51/196199651.db2.gz BGAVBOULCZEMFN-QGZVFWFLSA-N 2 2 309.417 3.090 20 0 DGADLP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131791414 196199654 /nfs/dbraw/zinc/19/96/54/196199654.db2.gz BGAVBOULCZEMFN-QGZVFWFLSA-N 2 2 309.417 3.090 20 0 DGADLP Clc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccn2)c1 ZINC000132083431 196224618 /nfs/dbraw/zinc/22/46/18/196224618.db2.gz KXYFIQMNQOAQKK-QGZVFWFLSA-N 2 2 312.804 3.311 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@@H+]1C ZINC000132306492 196244656 /nfs/dbraw/zinc/24/46/56/196244656.db2.gz OOGIRNFBNIXMKO-NVXWUHKLSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@H+]1C ZINC000132306492 196244658 /nfs/dbraw/zinc/24/46/58/196244658.db2.gz OOGIRNFBNIXMKO-NVXWUHKLSA-N 2 2 317.477 3.365 20 0 DGADLP COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132807065 196286067 /nfs/dbraw/zinc/28/60/67/196286067.db2.gz FIQLMOIVBGQLPZ-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132807065 196286069 /nfs/dbraw/zinc/28/60/69/196286069.db2.gz FIQLMOIVBGQLPZ-AEFFLSMTSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000290393801 221622376 /nfs/dbraw/zinc/62/23/76/221622376.db2.gz OSWMJRMOOINALM-INIZCTEOSA-N 2 2 303.475 3.277 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705646 287626547 /nfs/dbraw/zinc/62/65/47/287626547.db2.gz CNVDCUXGUWHCKA-XLIONFOSSA-N 3 2 315.505 3.150 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)c1cccc(OC)c1 ZINC000346449938 264033944 /nfs/dbraw/zinc/03/39/44/264033944.db2.gz DLLXKZRQFPEUKW-ATZDWAIDSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1ccnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000346503224 264043296 /nfs/dbraw/zinc/04/32/96/264043296.db2.gz QBRVZNSKJCRPCC-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1ccnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000346503224 264043298 /nfs/dbraw/zinc/04/32/98/264043298.db2.gz QBRVZNSKJCRPCC-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC[N@@H+]1C ZINC000346558793 264053756 /nfs/dbraw/zinc/05/37/56/264053756.db2.gz FZOSCIJRVRZUJM-BJZITVGISA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC[N@H+]1C ZINC000346558793 264053758 /nfs/dbraw/zinc/05/37/58/264053758.db2.gz FZOSCIJRVRZUJM-BJZITVGISA-N 2 2 313.420 3.382 20 0 DGADLP COC[C@H]([NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582089 264058508 /nfs/dbraw/zinc/05/85/08/264058508.db2.gz VXRGJDMCZVYSDH-MOPGFXCFSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H]([NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582089 264058509 /nfs/dbraw/zinc/05/85/09/264058509.db2.gz VXRGJDMCZVYSDH-MOPGFXCFSA-N 2 2 304.478 3.158 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccco2)cc1 ZINC000346579435 264058725 /nfs/dbraw/zinc/05/87/25/264058725.db2.gz WRZSBGPCZQSZRP-OGWOLHLISA-N 2 2 314.429 3.450 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccco2)cc1 ZINC000346579435 264058727 /nfs/dbraw/zinc/05/87/27/264058727.db2.gz WRZSBGPCZQSZRP-OGWOLHLISA-N 2 2 314.429 3.450 20 0 DGADLP C[C@H](CCC1CC1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000346596606 264062118 /nfs/dbraw/zinc/06/21/18/264062118.db2.gz OOFKKLHIKLBBNB-PBHICJAKSA-N 2 2 302.466 3.213 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000346641186 264071075 /nfs/dbraw/zinc/07/10/75/264071075.db2.gz LJZIHBUGKAYAFA-CYBMUJFWSA-N 2 2 306.479 3.078 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000346641186 264071076 /nfs/dbraw/zinc/07/10/76/264071076.db2.gz LJZIHBUGKAYAFA-CYBMUJFWSA-N 2 2 306.479 3.078 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC([NH3+])CC1 ZINC000346646800 264071760 /nfs/dbraw/zinc/07/17/60/264071760.db2.gz MPYSJXUEXFEGJP-CQSZACIVSA-N 2 2 307.457 3.231 20 0 DGADLP CSc1cc(Br)ccc1C[NH+]1CCC([NH3+])CC1 ZINC000346656765 264074779 /nfs/dbraw/zinc/07/47/79/264074779.db2.gz QXQLIKZYNHKHKX-UHFFFAOYSA-N 2 2 315.280 3.094 20 0 DGADLP COCC[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000346803757 264100448 /nfs/dbraw/zinc/10/04/48/264100448.db2.gz XTMKIAAVHMFLIQ-UHFFFAOYSA-N 2 2 308.853 3.030 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000346864819 264111534 /nfs/dbraw/zinc/11/15/34/264111534.db2.gz ZCLILTJAMPJJSO-KRWDZBQOSA-N 2 2 310.445 3.251 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000346864819 264111537 /nfs/dbraw/zinc/11/15/37/264111537.db2.gz ZCLILTJAMPJJSO-KRWDZBQOSA-N 2 2 310.445 3.251 20 0 DGADLP Fc1cncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000346953608 264126824 /nfs/dbraw/zinc/12/68/24/264126824.db2.gz GCFFBUWKWWBRQO-UHFFFAOYSA-N 2 2 302.397 3.110 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H]1C[NH3+] ZINC000347003972 264138272 /nfs/dbraw/zinc/13/82/72/264138272.db2.gz AHYMOCVNBFHHRM-SUMWQHHRSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H]1C[NH3+] ZINC000347003972 264138273 /nfs/dbraw/zinc/13/82/73/264138273.db2.gz AHYMOCVNBFHHRM-SUMWQHHRSA-N 2 2 318.852 3.085 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OC(C)C ZINC000347014199 264140144 /nfs/dbraw/zinc/14/01/44/264140144.db2.gz IHEAHGFNHDDLLU-ZBFHGGJFSA-N 2 2 306.450 3.184 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OC(C)C ZINC000347014199 264140146 /nfs/dbraw/zinc/14/01/46/264140146.db2.gz IHEAHGFNHDDLLU-ZBFHGGJFSA-N 2 2 306.450 3.184 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000347081298 264153821 /nfs/dbraw/zinc/15/38/21/264153821.db2.gz XUOFQUCYQULJGY-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000347081298 264153822 /nfs/dbraw/zinc/15/38/22/264153822.db2.gz XUOFQUCYQULJGY-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000347109521 264158187 /nfs/dbraw/zinc/15/81/87/264158187.db2.gz NNRNCGRYNDDMEU-IAQYHMDHSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000347109521 264158188 /nfs/dbraw/zinc/15/81/88/264158188.db2.gz NNRNCGRYNDDMEU-IAQYHMDHSA-N 2 2 305.422 3.118 20 0 DGADLP Clc1ccccc1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347112697 264159071 /nfs/dbraw/zinc/15/90/71/264159071.db2.gz ZXIWVGYEBHITAD-MRXNPFEDSA-N 2 2 302.805 3.431 20 0 DGADLP Clc1ccccc1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347112697 264159073 /nfs/dbraw/zinc/15/90/73/264159073.db2.gz ZXIWVGYEBHITAD-MRXNPFEDSA-N 2 2 302.805 3.431 20 0 DGADLP CCCOc1cc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)ccc1OC ZINC000347178326 264170440 /nfs/dbraw/zinc/17/04/40/264170440.db2.gz SOFVKHLSVGXQPM-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1cc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)ccc1OC ZINC000347178326 264170442 /nfs/dbraw/zinc/17/04/42/264170442.db2.gz SOFVKHLSVGXQPM-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000347216016 264177375 /nfs/dbraw/zinc/17/73/75/264177375.db2.gz QXUGILXJIYNEEY-UHFFFAOYSA-N 2 2 307.869 3.124 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347304060 264193444 /nfs/dbraw/zinc/19/34/44/264193444.db2.gz IADCEXSCFVIBER-FXAWDEMLSA-N 2 2 324.472 3.239 20 0 DGADLP CC[NH+](CC)CCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347348077 264202147 /nfs/dbraw/zinc/20/21/47/264202147.db2.gz TUWLICBTQNXLTA-DLBZAZTESA-N 2 2 322.518 3.219 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347348077 264202149 /nfs/dbraw/zinc/20/21/49/264202149.db2.gz TUWLICBTQNXLTA-DLBZAZTESA-N 2 2 322.518 3.219 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000347436122 264220245 /nfs/dbraw/zinc/22/02/45/264220245.db2.gz JDXSXTSQIHGONY-RDTXWAMCSA-N 2 2 324.415 3.070 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000347436122 264220246 /nfs/dbraw/zinc/22/02/46/264220246.db2.gz JDXSXTSQIHGONY-RDTXWAMCSA-N 2 2 324.415 3.070 20 0 DGADLP CC(C)COC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000347609867 264251160 /nfs/dbraw/zinc/25/11/60/264251160.db2.gz DJSBSATXCRINSR-DLBZAZTESA-N 2 2 308.466 3.457 20 0 DGADLP CC(C)COC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000347609867 264251163 /nfs/dbraw/zinc/25/11/63/264251163.db2.gz DJSBSATXCRINSR-DLBZAZTESA-N 2 2 308.466 3.457 20 0 DGADLP CCC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nnc2ccccn21 ZINC000347654345 264261398 /nfs/dbraw/zinc/26/13/98/264261398.db2.gz SABRIEWWWVGSCN-CVEARBPZSA-N 2 2 315.465 3.035 20 0 DGADLP CCC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654345 264261400 /nfs/dbraw/zinc/26/14/00/264261400.db2.gz SABRIEWWWVGSCN-CVEARBPZSA-N 2 2 315.465 3.035 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](c3ccccc3)C2)s1 ZINC000347660629 264261971 /nfs/dbraw/zinc/26/19/71/264261971.db2.gz XQWCHMJHUFBCBI-HNNXBMFYSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](c3ccccc3)C2)s1 ZINC000347660629 264261974 /nfs/dbraw/zinc/26/19/74/264261974.db2.gz XQWCHMJHUFBCBI-HNNXBMFYSA-N 2 2 301.459 3.194 20 0 DGADLP CC[NH+](CC)CCN(Cc1ccccc1)c1[nH+]cnc2[nH]ccc21 ZINC000347758081 264279479 /nfs/dbraw/zinc/27/94/79/264279479.db2.gz VIDCBDZJKAGPTD-UHFFFAOYSA-N 2 2 323.444 3.306 20 0 DGADLP CS[C@H]1CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@H]1[NH+](C)C ZINC000347784838 264284259 /nfs/dbraw/zinc/28/42/59/264284259.db2.gz MJDFRRHSLPKHNG-CABCVRRESA-N 2 2 322.522 3.205 20 0 DGADLP CS[C@@H]1CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@H]1[NH+](C)C ZINC000347784858 264284387 /nfs/dbraw/zinc/28/43/87/264284387.db2.gz MJDFRRHSLPKHNG-HUUCEWRRSA-N 2 2 322.522 3.205 20 0 DGADLP CCS[C@@H]1CCCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347812554 264288619 /nfs/dbraw/zinc/28/86/19/264288619.db2.gz LKBAERZRMNXYNG-CYBMUJFWSA-N 2 2 313.536 3.312 20 0 DGADLP CCS[C@@H]1CCCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347812554 264288620 /nfs/dbraw/zinc/28/86/20/264288620.db2.gz LKBAERZRMNXYNG-CYBMUJFWSA-N 2 2 313.536 3.312 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccccc1 ZINC000347929793 264308213 /nfs/dbraw/zinc/30/82/13/264308213.db2.gz SGDRGGHUUHDAGI-DYVFJYSZSA-N 2 2 301.459 3.398 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccccc1 ZINC000347929793 264308217 /nfs/dbraw/zinc/30/82/17/264308217.db2.gz SGDRGGHUUHDAGI-DYVFJYSZSA-N 2 2 301.459 3.398 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000348052426 264329559 /nfs/dbraw/zinc/32/95/59/264329559.db2.gz YILFTLVSLUTECQ-SFHVURJKSA-N 2 2 323.484 3.359 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000348094823 264339104 /nfs/dbraw/zinc/33/91/04/264339104.db2.gz HQRRUTKYRGZKEM-UHFFFAOYSA-N 2 2 310.397 3.330 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000348096028 264339672 /nfs/dbraw/zinc/33/96/72/264339672.db2.gz OKTXASBLNQOXOQ-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000348096028 264339673 /nfs/dbraw/zinc/33/96/73/264339673.db2.gz OKTXASBLNQOXOQ-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP CCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000348173374 264357869 /nfs/dbraw/zinc/35/78/69/264357869.db2.gz IZTILXUKLMSUSS-QUCCMNQESA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000348173374 264357871 /nfs/dbraw/zinc/35/78/71/264357871.db2.gz IZTILXUKLMSUSS-QUCCMNQESA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000348173374 264357876 /nfs/dbraw/zinc/35/78/76/264357876.db2.gz IZTILXUKLMSUSS-QUCCMNQESA-N 2 2 324.472 3.164 20 0 DGADLP CCc1cnc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000348185785 264359426 /nfs/dbraw/zinc/35/94/26/264359426.db2.gz KMUINQTWNZFALQ-UHFFFAOYSA-N 2 2 312.442 3.240 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348241161 264371951 /nfs/dbraw/zinc/37/19/51/264371951.db2.gz QQCYMVZHJWRIDQ-QGZVFWFLSA-N 2 2 317.408 3.012 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348241161 264371954 /nfs/dbraw/zinc/37/19/54/264371954.db2.gz QQCYMVZHJWRIDQ-QGZVFWFLSA-N 2 2 317.408 3.012 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348285804 264382734 /nfs/dbraw/zinc/38/27/34/264382734.db2.gz WYBBKOSCEXEVND-CEXWTWQISA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348285804 264382736 /nfs/dbraw/zinc/38/27/36/264382736.db2.gz WYBBKOSCEXEVND-CEXWTWQISA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCCOC1 ZINC000348318532 264388818 /nfs/dbraw/zinc/38/88/18/264388818.db2.gz KQHPVBHAZREZHF-RBUKOAKNSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCCOC1 ZINC000348318532 264388819 /nfs/dbraw/zinc/38/88/19/264388819.db2.gz KQHPVBHAZREZHF-RBUKOAKNSA-N 2 2 304.478 3.159 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000348543852 264424952 /nfs/dbraw/zinc/42/49/52/264424952.db2.gz HNYXUJHMGXTCTD-GFCCVEGCSA-N 2 2 305.426 3.003 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C12CCC2 ZINC000172685874 432228753 /nfs/dbraw/zinc/22/87/53/432228753.db2.gz WQVJIYYWIRLPOB-MSOLQXFVSA-N 2 2 313.445 3.282 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000352229070 264975452 /nfs/dbraw/zinc/97/54/52/264975452.db2.gz COVUZXXLDDBOKN-OAHLLOKOSA-N 2 2 307.397 3.299 20 0 DGADLP Cc1ccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+]2CCCC2)cc1 ZINC000352416460 265041165 /nfs/dbraw/zinc/04/11/65/265041165.db2.gz GPRIKCNLYSSUAG-SFHVURJKSA-N 2 2 310.445 3.073 20 0 DGADLP CC[C@]1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452359 265055206 /nfs/dbraw/zinc/05/52/06/265055206.db2.gz FERQLIOGCCPKTG-XAUMDUMWSA-N 2 2 314.473 3.079 20 0 DGADLP CC[C@]1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452359 265055210 /nfs/dbraw/zinc/05/52/10/265055210.db2.gz FERQLIOGCCPKTG-XAUMDUMWSA-N 2 2 314.473 3.079 20 0 DGADLP CC[C@]1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452357 265055386 /nfs/dbraw/zinc/05/53/86/265055386.db2.gz FERQLIOGCCPKTG-RIFZZMRRSA-N 2 2 314.473 3.079 20 0 DGADLP CC[C@]1(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452357 265055387 /nfs/dbraw/zinc/05/53/87/265055387.db2.gz FERQLIOGCCPKTG-RIFZZMRRSA-N 2 2 314.473 3.079 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000352496302 265069845 /nfs/dbraw/zinc/06/98/45/265069845.db2.gz UQKFQONBDYSWOJ-ZDUSSCGKSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000352496302 265069847 /nfs/dbraw/zinc/06/98/47/265069847.db2.gz UQKFQONBDYSWOJ-ZDUSSCGKSA-N 2 2 303.381 3.184 20 0 DGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])sc2c1 ZINC000352541447 265082389 /nfs/dbraw/zinc/08/23/89/265082389.db2.gz XZFPJAHOQMMPSK-LBPRGKRZSA-N 2 2 305.447 3.008 20 0 DGADLP COc1ccc2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])sc2c1 ZINC000352541447 265082392 /nfs/dbraw/zinc/08/23/92/265082392.db2.gz XZFPJAHOQMMPSK-LBPRGKRZSA-N 2 2 305.447 3.008 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000352541584 265082796 /nfs/dbraw/zinc/08/27/96/265082796.db2.gz ZOACPOGCJKUJEE-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000352541584 265082797 /nfs/dbraw/zinc/08/27/97/265082797.db2.gz ZOACPOGCJKUJEE-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352735437 265144917 /nfs/dbraw/zinc/14/49/17/265144917.db2.gz BSERSZNVZCYDLO-NSHDSACASA-N 2 2 309.401 3.271 20 0 DGADLP C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000352756829 265153971 /nfs/dbraw/zinc/15/39/71/265153971.db2.gz GODKDORLIUFERN-ZLPCBKJTSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000352756829 265153972 /nfs/dbraw/zinc/15/39/72/265153972.db2.gz GODKDORLIUFERN-ZLPCBKJTSA-N 2 2 304.478 3.443 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352762347 265155630 /nfs/dbraw/zinc/15/56/30/265155630.db2.gz FMRYXBPLQRIUFW-FQEVSTJZSA-N 2 2 309.457 3.398 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1 ZINC000352766619 265157524 /nfs/dbraw/zinc/15/75/24/265157524.db2.gz YJVUSQWFGSSTGS-INIZCTEOSA-N 2 2 312.461 3.243 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000352809390 265175497 /nfs/dbraw/zinc/17/54/97/265175497.db2.gz HNTBEQCOTUBWSF-TTYHFUOFSA-N 2 2 314.473 3.287 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000352809390 265175501 /nfs/dbraw/zinc/17/55/01/265175501.db2.gz HNTBEQCOTUBWSF-TTYHFUOFSA-N 2 2 314.473 3.287 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352809389 265175682 /nfs/dbraw/zinc/17/56/82/265175682.db2.gz HNTBEQCOTUBWSF-QLIIJSOBSA-N 2 2 314.473 3.287 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352809389 265175683 /nfs/dbraw/zinc/17/56/83/265175683.db2.gz HNTBEQCOTUBWSF-QLIIJSOBSA-N 2 2 314.473 3.287 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812081 265177191 /nfs/dbraw/zinc/17/71/91/265177191.db2.gz YOHUJEGKGWKSFF-DOXZYTNZSA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(-n2cccn2)c1 ZINC000352812081 265177195 /nfs/dbraw/zinc/17/71/95/265177195.db2.gz YOHUJEGKGWKSFF-DOXZYTNZSA-N 2 2 310.445 3.006 20 0 DGADLP COc1cccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352816861 265179188 /nfs/dbraw/zinc/17/91/88/265179188.db2.gz MONDPWBLEYMRMO-GFCCVEGCSA-N 2 2 305.447 3.064 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000352838325 265191331 /nfs/dbraw/zinc/19/13/31/265191331.db2.gz MGYHOFKAJBSSIW-GXFFZTMASA-N 2 2 314.351 3.126 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000352838325 265191333 /nfs/dbraw/zinc/19/13/33/265191333.db2.gz MGYHOFKAJBSSIW-GXFFZTMASA-N 2 2 314.351 3.126 20 0 DGADLP Fc1cc2cccnc2c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000352866032 265205423 /nfs/dbraw/zinc/20/54/23/265205423.db2.gz JJLWAOGKHYSXGN-UHFFFAOYSA-N 2 2 310.376 3.477 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1OC(C)C ZINC000352933707 265237522 /nfs/dbraw/zinc/23/75/22/265237522.db2.gz SWCDYZADXGXEBV-RDJZCZTQSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1OC(C)C ZINC000352933707 265237527 /nfs/dbraw/zinc/23/75/27/265237527.db2.gz SWCDYZADXGXEBV-RDJZCZTQSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1OC(C)C ZINC000352933707 265237530 /nfs/dbraw/zinc/23/75/30/265237530.db2.gz SWCDYZADXGXEBV-RDJZCZTQSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1OC(C)C ZINC000352933707 265237533 /nfs/dbraw/zinc/23/75/33/265237533.db2.gz SWCDYZADXGXEBV-RDJZCZTQSA-N 2 2 318.461 3.008 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)o1 ZINC000353239028 265359034 /nfs/dbraw/zinc/35/90/34/265359034.db2.gz HOJLFPLUINWHCS-NSHDSACASA-N 2 2 314.414 3.082 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)s2)o1 ZINC000353239028 265359041 /nfs/dbraw/zinc/35/90/41/265359041.db2.gz HOJLFPLUINWHCS-NSHDSACASA-N 2 2 314.414 3.082 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000353287650 265374568 /nfs/dbraw/zinc/37/45/68/265374568.db2.gz PTHSOSGSHUXGGK-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCC34CCCC4)[nH+]c2)C1 ZINC000353290238 265376922 /nfs/dbraw/zinc/37/69/22/265376922.db2.gz KZMUUFXMDBWGEV-DLBZAZTESA-N 2 2 314.477 3.357 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)CCC2 ZINC000353315492 265385755 /nfs/dbraw/zinc/38/57/55/265385755.db2.gz CVUIIAONZMLEFD-XLAORIBOSA-N 2 2 317.477 3.254 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000353325349 265390499 /nfs/dbraw/zinc/39/04/99/265390499.db2.gz LNSGBZUXWKMGDJ-CXAGYDPISA-N 2 2 311.429 3.219 20 0 DGADLP CC(C)CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccoc1 ZINC000353530437 265456968 /nfs/dbraw/zinc/45/69/68/265456968.db2.gz MLLQYQYBJDRTIQ-SJLPKXTDSA-N 2 2 308.466 3.315 20 0 DGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000354582936 265817122 /nfs/dbraw/zinc/81/71/22/265817122.db2.gz ICFDIOSSBNEYRR-CVEARBPZSA-N 2 2 315.461 3.301 20 0 DGADLP CCCCNc1cc(C)[nH+]c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000631085950 424829309 /nfs/dbraw/zinc/82/93/09/424829309.db2.gz MZSOXOUERZRRML-UHFFFAOYSA-N 2 2 314.437 3.035 20 0 DGADLP c1cc2c(nc[nH+]c2NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000522284776 424829443 /nfs/dbraw/zinc/82/94/43/424829443.db2.gz JSVFMGDTTRCCQS-HNNXBMFYSA-N 2 2 307.401 3.034 20 0 DGADLP c1cc2c(nc[nH+]c2NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000522284776 424829445 /nfs/dbraw/zinc/82/94/45/424829445.db2.gz JSVFMGDTTRCCQS-HNNXBMFYSA-N 2 2 307.401 3.034 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC000355368828 266052897 /nfs/dbraw/zinc/05/28/97/266052897.db2.gz SPRSEWLSBNGSJJ-IBGZPJMESA-N 2 2 323.440 3.290 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000356087332 266280275 /nfs/dbraw/zinc/28/02/75/266280275.db2.gz NQMJGQGCFKFGQR-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000356087332 266280278 /nfs/dbraw/zinc/28/02/78/266280278.db2.gz NQMJGQGCFKFGQR-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1[C@@H]1CCCO1 ZINC000356243143 266330434 /nfs/dbraw/zinc/33/04/34/266330434.db2.gz GQJSJMKREFQDRN-HOTGVXAUSA-N 2 2 317.458 3.323 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356329898 266355858 /nfs/dbraw/zinc/35/58/58/266355858.db2.gz BUHHLZKDPSEEFR-UHFFFAOYSA-N 2 2 304.356 3.185 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356329898 266355860 /nfs/dbraw/zinc/35/58/60/266355860.db2.gz BUHHLZKDPSEEFR-UHFFFAOYSA-N 2 2 304.356 3.185 20 0 DGADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247559601 432241856 /nfs/dbraw/zinc/24/18/56/432241856.db2.gz QQFXZIYLNUHJGB-MSOLQXFVSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247559601 432241860 /nfs/dbraw/zinc/24/18/60/432241860.db2.gz QQFXZIYLNUHJGB-MSOLQXFVSA-N 2 2 302.462 3.100 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000247656693 432245011 /nfs/dbraw/zinc/24/50/11/432245011.db2.gz PQVRIDRQFDXOQS-KKUMJFAQSA-N 2 2 317.437 3.253 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000247656693 432245014 /nfs/dbraw/zinc/24/50/14/432245014.db2.gz PQVRIDRQFDXOQS-KKUMJFAQSA-N 2 2 317.437 3.253 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483843 432249552 /nfs/dbraw/zinc/24/95/52/432249552.db2.gz LCWZWBZMXHSARW-WWMYMODYSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483843 432249555 /nfs/dbraw/zinc/24/95/55/432249555.db2.gz LCWZWBZMXHSARW-WWMYMODYSA-N 2 2 324.468 3.493 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367706339 271067618 /nfs/dbraw/zinc/06/76/18/271067618.db2.gz SEQMJDGMYUTHMZ-KRWDZBQOSA-N 2 2 313.445 3.444 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367706339 271067621 /nfs/dbraw/zinc/06/76/21/271067621.db2.gz SEQMJDGMYUTHMZ-KRWDZBQOSA-N 2 2 313.445 3.444 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000367813664 271080317 /nfs/dbraw/zinc/08/03/17/271080317.db2.gz HOCUVVRUEGCARX-CVEARBPZSA-N 2 2 321.465 3.136 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000367813664 271080319 /nfs/dbraw/zinc/08/03/19/271080319.db2.gz HOCUVVRUEGCARX-CVEARBPZSA-N 2 2 321.465 3.136 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000368016276 271114218 /nfs/dbraw/zinc/11/42/18/271114218.db2.gz KGIMUUATEVATNJ-IOWLUPKSSA-N 2 2 306.400 3.426 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000368016276 271114221 /nfs/dbraw/zinc/11/42/21/271114221.db2.gz KGIMUUATEVATNJ-IOWLUPKSSA-N 2 2 306.400 3.426 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368045461 271122365 /nfs/dbraw/zinc/12/23/65/271122365.db2.gz VVOGUUAZADKKMI-MRXNPFEDSA-N 2 2 312.417 3.073 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000368045461 271122367 /nfs/dbraw/zinc/12/23/67/271122367.db2.gz VVOGUUAZADKKMI-MRXNPFEDSA-N 2 2 312.417 3.073 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058572 271126999 /nfs/dbraw/zinc/12/69/99/271126999.db2.gz XEYWICOAOBDWPR-VAMGGRTRSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058572 271127001 /nfs/dbraw/zinc/12/70/01/271127001.db2.gz XEYWICOAOBDWPR-VAMGGRTRSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058572 271127005 /nfs/dbraw/zinc/12/70/05/271127005.db2.gz XEYWICOAOBDWPR-VAMGGRTRSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3C[C@H]4CCCC[C@H]43)C2)cc1 ZINC000368058572 271127007 /nfs/dbraw/zinc/12/70/07/271127007.db2.gz XEYWICOAOBDWPR-VAMGGRTRSA-N 2 2 314.473 3.152 20 0 DGADLP Cc1oncc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000369537507 271289008 /nfs/dbraw/zinc/28/90/08/271289008.db2.gz RGXAYTMGQJKSOQ-UHFFFAOYSA-N 2 2 310.401 3.478 20 0 DGADLP CC[C@@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC[NH2+]C1 ZINC000370843108 271392336 /nfs/dbraw/zinc/39/23/36/271392336.db2.gz MGBSFBYWBPWFKE-GOSISDBHSA-N 2 2 311.385 3.202 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cnn1C(C)C ZINC000191331987 432250725 /nfs/dbraw/zinc/25/07/25/432250725.db2.gz LPAVVZAZFGBQRT-AWEZNQCLSA-N 2 2 301.438 3.320 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cnn1C(C)(C)C ZINC000191332025 432250862 /nfs/dbraw/zinc/25/08/62/432250862.db2.gz QQWJDYAFOJXQDQ-AWEZNQCLSA-N 2 2 315.465 3.494 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000247887287 432252755 /nfs/dbraw/zinc/25/27/55/432252755.db2.gz DKGQLJSQPROETN-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000247887287 432252758 /nfs/dbraw/zinc/25/27/58/432252758.db2.gz DKGQLJSQPROETN-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963044 432257652 /nfs/dbraw/zinc/25/76/52/432257652.db2.gz DBUSQURYZYVVJU-RBUKOAKNSA-N 3 2 307.526 3.059 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963044 432257655 /nfs/dbraw/zinc/25/76/55/432257655.db2.gz DBUSQURYZYVVJU-RBUKOAKNSA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963044 432257659 /nfs/dbraw/zinc/25/76/59/432257659.db2.gz DBUSQURYZYVVJU-RBUKOAKNSA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963044 432257662 /nfs/dbraw/zinc/25/76/62/432257662.db2.gz DBUSQURYZYVVJU-RBUKOAKNSA-N 3 2 307.526 3.059 20 0 DGADLP COC[C@]1(C[NH2+][C@H]2CCSc3cc(C)c(C)cc32)CCC[NH2+]1 ZINC000423409296 274052755 /nfs/dbraw/zinc/05/27/55/274052755.db2.gz BPJZXMLURFXIHL-FUHWJXTLSA-N 2 2 320.502 3.199 20 0 DGADLP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000193806502 274174894 /nfs/dbraw/zinc/17/48/94/274174894.db2.gz MXQITXWJAYNVGO-RDJZCZTQSA-N 2 2 319.518 3.167 20 0 DGADLP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000193806502 274174899 /nfs/dbraw/zinc/17/48/99/274174899.db2.gz MXQITXWJAYNVGO-RDJZCZTQSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@H]1C[C@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000419723285 274626579 /nfs/dbraw/zinc/62/65/79/274626579.db2.gz FQMMAIFUJSGGKE-YVEFUNNKSA-N 2 2 318.852 3.164 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000270578796 432259778 /nfs/dbraw/zinc/25/97/78/432259778.db2.gz CIRDFQVMYOLHBD-INIZCTEOSA-N 2 2 312.442 3.417 20 0 DGADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423211106 274880396 /nfs/dbraw/zinc/88/03/96/274880396.db2.gz XYNJWYSDRQUOOI-ZANVPECISA-N 2 2 315.642 3.041 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]C[C@@H]2CCSC2)c[nH+]1 ZINC000290294919 275072875 /nfs/dbraw/zinc/07/28/75/275072875.db2.gz AQTCZOSTZMKIMV-WBAXXEDZSA-N 2 2 313.470 3.454 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]C[C@H]2CCSC2)c[nH+]1 ZINC000290294918 275072925 /nfs/dbraw/zinc/07/29/25/275072925.db2.gz AQTCZOSTZMKIMV-JLSDUUJJSA-N 2 2 313.470 3.454 20 0 DGADLP Brc1cccc2c1CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000179976639 275374255 /nfs/dbraw/zinc/37/42/55/275374255.db2.gz KQFHLAGMHLDADA-OAHLLOKOSA-N 2 2 309.251 3.122 20 0 DGADLP Cc1cc(CNc2[nH+]c(C)nc3[nH]ccc32)cc(N2CCCC2)[nH+]1 ZINC000517943239 429405149 /nfs/dbraw/zinc/40/51/49/429405149.db2.gz GATXUWONEQNTQY-UHFFFAOYSA-N 2 2 322.416 3.182 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000109787773 276257413 /nfs/dbraw/zinc/25/74/13/276257413.db2.gz GCARYUBSIXARMY-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000109787773 276257414 /nfs/dbraw/zinc/25/74/14/276257414.db2.gz GCARYUBSIXARMY-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1)C1CC1 ZINC000281198503 276348897 /nfs/dbraw/zinc/34/88/97/276348897.db2.gz JZRYYOYKMSXMRX-SJORKVTESA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1)C1CC1 ZINC000281198503 276348898 /nfs/dbraw/zinc/34/88/98/276348898.db2.gz JZRYYOYKMSXMRX-SJORKVTESA-N 2 2 301.478 3.490 20 0 DGADLP C[NH+](C)Cc1ccc(F)c(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000629737532 429962990 /nfs/dbraw/zinc/96/29/90/429962990.db2.gz VANILGXQAHBGEM-UHFFFAOYSA-N 2 2 317.408 3.134 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421801151 276866004 /nfs/dbraw/zinc/86/60/04/276866004.db2.gz KAQGCLPQJDQVPK-UYAOXDASSA-N 2 2 309.457 3.222 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430635172 277040087 /nfs/dbraw/zinc/04/00/87/277040087.db2.gz FZLCYLIMPYVWIA-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430635172 277040088 /nfs/dbraw/zinc/04/00/88/277040088.db2.gz FZLCYLIMPYVWIA-CQSZACIVSA-N 2 2 316.367 3.158 20 0 DGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178658990 277488715 /nfs/dbraw/zinc/48/87/15/277488715.db2.gz NLKMVYPFNQCVNR-AWEZNQCLSA-N 2 2 314.433 3.075 20 0 DGADLP COc1ncc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000423262867 278091282 /nfs/dbraw/zinc/09/12/82/278091282.db2.gz NOJDFUGYHVKFEA-IAQYHMDHSA-N 2 2 311.857 3.302 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319563 278313499 /nfs/dbraw/zinc/31/34/99/278313499.db2.gz JQFDBUFAWSZZIQ-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159319563 278313501 /nfs/dbraw/zinc/31/35/01/278313501.db2.gz JQFDBUFAWSZZIQ-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1nc2c(s1)CCCC2 ZINC000423241330 278353416 /nfs/dbraw/zinc/35/34/16/278353416.db2.gz LJHQAFUAAHLUSS-OCCSQVGLSA-N 2 2 301.459 3.373 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000253191226 278368117 /nfs/dbraw/zinc/36/81/17/278368117.db2.gz LXFVNTQNKWUYGP-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000253191226 278368118 /nfs/dbraw/zinc/36/81/18/278368118.db2.gz LXFVNTQNKWUYGP-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP CCCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000343973525 278726453 /nfs/dbraw/zinc/72/64/53/278726453.db2.gz HPFUBQJNZCVHKA-IEBWSBKVSA-N 2 2 304.478 3.476 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261939158 279013352 /nfs/dbraw/zinc/01/33/52/279013352.db2.gz MKVQWJPPQWQCQJ-OLZOCXBDSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261939158 279013354 /nfs/dbraw/zinc/01/33/54/279013354.db2.gz MKVQWJPPQWQCQJ-OLZOCXBDSA-N 2 2 323.278 3.195 20 0 DGADLP Cc1c[nH+]c(CNc2ccc(CC[NH+]3CCCCC3)cc2)n1C ZINC000341143281 279013478 /nfs/dbraw/zinc/01/34/78/279013478.db2.gz HQJZKIKGMRMYLI-UHFFFAOYSA-N 2 2 312.461 3.369 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccccc1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435629934 279057859 /nfs/dbraw/zinc/05/78/59/279057859.db2.gz VTZGZICPOPEYMJ-INIZCTEOSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435629934 279057862 /nfs/dbraw/zinc/05/78/62/279057862.db2.gz VTZGZICPOPEYMJ-INIZCTEOSA-N 2 2 317.477 3.213 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000247040375 279165113 /nfs/dbraw/zinc/16/51/13/279165113.db2.gz MSWVHYRHKAVADM-USXIJHARSA-N 2 2 309.523 3.203 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000247040375 279165116 /nfs/dbraw/zinc/16/51/16/279165116.db2.gz MSWVHYRHKAVADM-USXIJHARSA-N 2 2 309.523 3.203 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018772 279165627 /nfs/dbraw/zinc/16/56/27/279165627.db2.gz KIOZIFARNIGLSH-BHYGNILZSA-N 2 2 309.523 3.061 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018772 279165628 /nfs/dbraw/zinc/16/56/28/279165628.db2.gz KIOZIFARNIGLSH-BHYGNILZSA-N 2 2 309.523 3.061 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471612005 279252789 /nfs/dbraw/zinc/25/27/89/279252789.db2.gz RSUPDLNLYRVGTI-GJYPPUQNSA-N 2 2 304.478 3.473 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000358173516 279264474 /nfs/dbraw/zinc/26/44/74/279264474.db2.gz VJZIOGHSKQFHFW-DYVFJYSZSA-N 2 2 308.853 3.028 20 0 DGADLP C[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000414985028 279351939 /nfs/dbraw/zinc/35/19/39/279351939.db2.gz FEYRUQGHSIRGPL-BXKDBHETSA-N 2 2 310.310 3.381 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000422872419 279369545 /nfs/dbraw/zinc/36/95/45/279369545.db2.gz HBHIXALWVJJBPE-OGWOLHLISA-N 2 2 320.452 3.414 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427619795 279388589 /nfs/dbraw/zinc/38/85/89/279388589.db2.gz ZWUYBXLJYXFXNG-IAQYHMDHSA-N 2 2 324.350 3.353 20 0 DGADLP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423200890 279460843 /nfs/dbraw/zinc/46/08/43/279460843.db2.gz GVAXEJBBLFJDGG-UONOGXRCSA-N 2 2 317.433 3.278 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1nc2ccccc2n1C ZINC000183948906 279462609 /nfs/dbraw/zinc/46/26/09/279462609.db2.gz ONBFRFISBWBGHJ-HNNXBMFYSA-N 2 2 314.477 3.346 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803442 431221570 /nfs/dbraw/zinc/22/15/70/431221570.db2.gz ZWZRMOLCTZLYRB-XLIONFOSSA-N 2 2 314.473 3.108 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803442 431221576 /nfs/dbraw/zinc/22/15/76/431221576.db2.gz ZWZRMOLCTZLYRB-XLIONFOSSA-N 2 2 314.473 3.108 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857892 431229695 /nfs/dbraw/zinc/22/96/95/431229695.db2.gz BQCRDHKWZGWHJI-HZPDHXFCSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857892 431229700 /nfs/dbraw/zinc/22/97/00/431229700.db2.gz BQCRDHKWZGWHJI-HZPDHXFCSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000071145645 431272931 /nfs/dbraw/zinc/27/29/31/431272931.db2.gz PJGKLNMPPQWJIW-CQSZACIVSA-N 2 2 301.459 3.160 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)C1 ZINC000071145645 431272936 /nfs/dbraw/zinc/27/29/36/431272936.db2.gz PJGKLNMPPQWJIW-CQSZACIVSA-N 2 2 301.459 3.160 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000113514535 431352653 /nfs/dbraw/zinc/35/26/53/431352653.db2.gz AVHAKLCKXBHQSE-GFCCVEGCSA-N 2 2 317.260 3.256 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000113514535 431352656 /nfs/dbraw/zinc/35/26/56/431352656.db2.gz AVHAKLCKXBHQSE-GFCCVEGCSA-N 2 2 317.260 3.256 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000114198623 431376118 /nfs/dbraw/zinc/37/61/18/431376118.db2.gz KGRMTVJNQQIFFE-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000114198623 431376124 /nfs/dbraw/zinc/37/61/24/431376124.db2.gz KGRMTVJNQQIFFE-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP C[N@H+](C[C@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480740 431392037 /nfs/dbraw/zinc/39/20/37/431392037.db2.gz ULSUYKKCLQJFOZ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480740 431392044 /nfs/dbraw/zinc/39/20/44/431392044.db2.gz ULSUYKKCLQJFOZ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449758860 279769758 /nfs/dbraw/zinc/76/97/58/279769758.db2.gz HJQZTGWBAHDVML-HUUCEWRRSA-N 2 2 322.415 3.341 20 0 DGADLP Clc1ccc2[nH+]ccc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2c1 ZINC000114709775 431407425 /nfs/dbraw/zinc/40/74/25/431407425.db2.gz AHDYUHMYKZXPKW-CQSZACIVSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1ccc2[nH+]ccc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c2c1 ZINC000114709775 431407430 /nfs/dbraw/zinc/40/74/30/431407430.db2.gz AHDYUHMYKZXPKW-CQSZACIVSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1ccc2[nH+]ccc(NC[C@H]3C[N@@H+](C4CC4)CCO3)c2c1 ZINC000114709778 431407665 /nfs/dbraw/zinc/40/76/65/431407665.db2.gz AHDYUHMYKZXPKW-AWEZNQCLSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1ccc2[nH+]ccc(NC[C@H]3C[N@H+](C4CC4)CCO3)c2c1 ZINC000114709778 431407670 /nfs/dbraw/zinc/40/76/70/431407670.db2.gz AHDYUHMYKZXPKW-AWEZNQCLSA-N 2 2 317.820 3.163 20 0 DGADLP CC[N@H+](CC1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108359 431527223 /nfs/dbraw/zinc/52/72/23/431527223.db2.gz ZJDJQRDPKFZSNB-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+](CC1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108359 431527228 /nfs/dbraw/zinc/52/72/28/431527228.db2.gz ZJDJQRDPKFZSNB-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000155718449 280010633 /nfs/dbraw/zinc/01/06/33/280010633.db2.gz FTZSGJDFOZCHGC-FZMZJTMJSA-N 2 2 320.234 3.484 20 0 DGADLP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000117878476 431582105 /nfs/dbraw/zinc/58/21/05/431582105.db2.gz GBPMXCGZKLYPQK-KRWDZBQOSA-N 2 2 310.482 3.060 20 0 DGADLP CCOC(=O)CCCCC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000117878476 431582113 /nfs/dbraw/zinc/58/21/13/431582113.db2.gz GBPMXCGZKLYPQK-KRWDZBQOSA-N 2 2 310.482 3.060 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CS1 ZINC000488451775 280436198 /nfs/dbraw/zinc/43/61/98/280436198.db2.gz UAEXUDDRGIEBIF-QZTJIDSGSA-N 2 2 318.530 3.205 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100660 431647090 /nfs/dbraw/zinc/64/70/90/431647090.db2.gz KJRAEQNMLYSPKD-OALUTQOASA-N 2 2 312.461 3.125 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100660 431647095 /nfs/dbraw/zinc/64/70/95/431647095.db2.gz KJRAEQNMLYSPKD-OALUTQOASA-N 2 2 312.461 3.125 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100835 431648887 /nfs/dbraw/zinc/64/88/87/431648887.db2.gz KJRAEQNMLYSPKD-MOPGFXCFSA-N 2 2 312.461 3.125 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100835 431648892 /nfs/dbraw/zinc/64/88/92/431648892.db2.gz KJRAEQNMLYSPKD-MOPGFXCFSA-N 2 2 312.461 3.125 20 0 DGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc[nH+]c(C)c1)c1ccco1 ZINC000119402635 431687200 /nfs/dbraw/zinc/68/72/00/431687200.db2.gz VWABXKADFWLPCC-HNNXBMFYSA-N 2 2 316.405 3.188 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119489154 431699234 /nfs/dbraw/zinc/69/92/34/431699234.db2.gz ZWRGGSQAAYJPJI-CYBMUJFWSA-N 2 2 305.397 3.131 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119489154 431699237 /nfs/dbraw/zinc/69/92/37/431699237.db2.gz ZWRGGSQAAYJPJI-CYBMUJFWSA-N 2 2 305.397 3.131 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119489154 431699245 /nfs/dbraw/zinc/69/92/45/431699245.db2.gz ZWRGGSQAAYJPJI-CYBMUJFWSA-N 2 2 305.397 3.131 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000119489154 431699249 /nfs/dbraw/zinc/69/92/49/431699249.db2.gz ZWRGGSQAAYJPJI-CYBMUJFWSA-N 2 2 305.397 3.131 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000119686776 431712317 /nfs/dbraw/zinc/71/23/17/431712317.db2.gz IIJMJDACPKWYLR-AWEZNQCLSA-N 2 2 305.491 3.299 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCc3sccc32)C[C@@H](C)O1 ZINC000119942686 431719047 /nfs/dbraw/zinc/71/90/47/431719047.db2.gz WUNIJAVZOPNJIP-IIAWOOMASA-N 2 2 308.491 3.214 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(CO)c2)[NH+](C)C)cc1 ZINC000121513449 431798476 /nfs/dbraw/zinc/79/84/76/431798476.db2.gz ZEMOUJGMHLJKKH-OXJNMPFZSA-N 2 2 312.457 3.441 20 0 DGADLP Brc1cccc(C2CC([NH2+]CC[NH+]3CCCC3)C2)c1 ZINC000036843398 431841843 /nfs/dbraw/zinc/84/18/43/431841843.db2.gz HOTABOPODHWQOC-UHFFFAOYSA-N 2 2 323.278 3.381 20 0 DGADLP COc1ccc([C@@H](C[NH2+]Cc2cc[nH]c2)[NH+]2CCCCC2)cc1 ZINC000086249478 431844232 /nfs/dbraw/zinc/84/42/32/431844232.db2.gz HHZHHGHPARSCHP-LJQANCHMSA-N 2 2 313.445 3.340 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)c(Br)c1 ZINC000037228715 431844729 /nfs/dbraw/zinc/84/47/29/431844729.db2.gz BGCMEZRFLPDJHA-LLVKDONJSA-N 2 2 315.230 3.335 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037157989 431844785 /nfs/dbraw/zinc/84/47/85/431844785.db2.gz BBHKRAPXQLMZBB-NEPJUHHUSA-N 2 2 308.223 3.385 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1Br ZINC000037157924 431844877 /nfs/dbraw/zinc/84/48/77/431844877.db2.gz WBGBLKOTXJLSRT-NWDGAFQWSA-N 2 2 308.223 3.385 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000122842836 431846073 /nfs/dbraw/zinc/84/60/73/431846073.db2.gz IUDJJFKNHURCMI-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000122842836 431846074 /nfs/dbraw/zinc/84/60/74/431846074.db2.gz IUDJJFKNHURCMI-BBRMVZONSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000122879199 431847445 /nfs/dbraw/zinc/84/74/45/431847445.db2.gz MSWPKJJJAQWLHO-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000122879199 431847446 /nfs/dbraw/zinc/84/74/46/431847446.db2.gz MSWPKJJJAQWLHO-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000122970053 431850420 /nfs/dbraw/zinc/85/04/20/431850420.db2.gz KPFASWSPVIIXOX-OAHLLOKOSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000088728705 431859963 /nfs/dbraw/zinc/85/99/63/431859963.db2.gz PFXVOPDZFKGCGB-WBVHZDCISA-N 2 2 318.461 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000088728705 431859964 /nfs/dbraw/zinc/85/99/64/431859964.db2.gz PFXVOPDZFKGCGB-WBVHZDCISA-N 2 2 318.461 3.143 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134156 431860796 /nfs/dbraw/zinc/86/07/96/431860796.db2.gz IIDXKGDBSGOKNI-CQSZACIVSA-N 2 2 324.490 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134156 431860798 /nfs/dbraw/zinc/86/07/98/431860798.db2.gz IIDXKGDBSGOKNI-CQSZACIVSA-N 2 2 324.490 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134156 431860801 /nfs/dbraw/zinc/86/08/01/431860801.db2.gz IIDXKGDBSGOKNI-CQSZACIVSA-N 2 2 324.490 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089134156 431860803 /nfs/dbraw/zinc/86/08/03/431860803.db2.gz IIDXKGDBSGOKNI-CQSZACIVSA-N 2 2 324.490 3.007 20 0 DGADLP Cc1cnc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000084674026 431832196 /nfs/dbraw/zinc/83/21/96/431832196.db2.gz NXNKHNQSLOVNKO-UHFFFAOYSA-N 2 2 313.430 3.057 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000125230572 431918169 /nfs/dbraw/zinc/91/81/69/431918169.db2.gz WEUGAPJCAKKMPY-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000125230572 431918170 /nfs/dbraw/zinc/91/81/70/431918170.db2.gz WEUGAPJCAKKMPY-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP COCc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003786 431887883 /nfs/dbraw/zinc/88/78/83/431887883.db2.gz QTXBWSRVDIPJBD-KRWDZBQOSA-N 2 2 313.445 3.021 20 0 DGADLP COCc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003786 431887886 /nfs/dbraw/zinc/88/78/86/431887886.db2.gz QTXBWSRVDIPJBD-KRWDZBQOSA-N 2 2 313.445 3.021 20 0 DGADLP Cc1ncc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)s1 ZINC000124397510 431893161 /nfs/dbraw/zinc/89/31/61/431893161.db2.gz XMQXCQPAFJQFCG-UHFFFAOYSA-N 2 2 300.431 3.061 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000124453098 431894470 /nfs/dbraw/zinc/89/44/70/431894470.db2.gz LAAGJSSDVSVGKO-AOIWGVFYSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000124453098 431894473 /nfs/dbraw/zinc/89/44/73/431894473.db2.gz LAAGJSSDVSVGKO-AOIWGVFYSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](C)CO1 ZINC000124453098 431894475 /nfs/dbraw/zinc/89/44/75/431894475.db2.gz LAAGJSSDVSVGKO-AOIWGVFYSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](C)CO1 ZINC000124453098 431894476 /nfs/dbraw/zinc/89/44/76/431894476.db2.gz LAAGJSSDVSVGKO-AOIWGVFYSA-N 2 2 302.462 3.241 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000090720640 431895166 /nfs/dbraw/zinc/89/51/66/431895166.db2.gz LLIFOMYBUGDUHB-GXSJLCMTSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)CC[N@H+]1C ZINC000090720640 431895168 /nfs/dbraw/zinc/89/51/68/431895168.db2.gz LLIFOMYBUGDUHB-GXSJLCMTSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccco1 ZINC000124693543 431901600 /nfs/dbraw/zinc/90/16/00/431901600.db2.gz FEHRMUCGIHSQOQ-QGZVFWFLSA-N 2 2 313.445 3.143 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126776347 431957711 /nfs/dbraw/zinc/95/77/11/431957711.db2.gz RGWIQZCSVHZQDM-ULQDDVLXSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776347 431957713 /nfs/dbraw/zinc/95/77/13/431957713.db2.gz RGWIQZCSVHZQDM-ULQDDVLXSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126776347 431957715 /nfs/dbraw/zinc/95/77/15/431957715.db2.gz RGWIQZCSVHZQDM-ULQDDVLXSA-N 3 2 321.534 3.032 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221278092 281016357 /nfs/dbraw/zinc/01/63/57/281016357.db2.gz VMSFYGIDMLHUOZ-SWLSCSKDSA-N 2 2 311.267 3.442 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221278092 281016361 /nfs/dbraw/zinc/01/63/61/281016361.db2.gz VMSFYGIDMLHUOZ-SWLSCSKDSA-N 2 2 311.267 3.442 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430580543 281199532 /nfs/dbraw/zinc/19/95/32/281199532.db2.gz RZIAHWPSWHICOI-GOSISDBHSA-N 2 2 305.466 3.020 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247951759 281354720 /nfs/dbraw/zinc/35/47/20/281354720.db2.gz FCYNLIZPXCNIHJ-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000247951759 281354721 /nfs/dbraw/zinc/35/47/21/281354721.db2.gz FCYNLIZPXCNIHJ-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191487743 432268889 /nfs/dbraw/zinc/26/88/89/432268889.db2.gz VALFWQHUMXGGDB-CZUORRHYSA-N 2 2 306.475 3.306 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191487743 432268890 /nfs/dbraw/zinc/26/88/90/432268890.db2.gz VALFWQHUMXGGDB-CZUORRHYSA-N 2 2 306.475 3.306 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000270654104 432271515 /nfs/dbraw/zinc/27/15/15/432271515.db2.gz MQDVTGAWFDXARP-QGZVFWFLSA-N 2 2 301.459 3.290 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000270654104 432271519 /nfs/dbraw/zinc/27/15/19/432271519.db2.gz MQDVTGAWFDXARP-QGZVFWFLSA-N 2 2 301.459 3.290 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000248175991 432273333 /nfs/dbraw/zinc/27/33/33/432273333.db2.gz VOHSATNYOCYSKA-KSZLIROESA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000248175991 432273337 /nfs/dbraw/zinc/27/33/37/432273337.db2.gz VOHSATNYOCYSKA-KSZLIROESA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000248175991 432273341 /nfs/dbraw/zinc/27/33/41/432273341.db2.gz VOHSATNYOCYSKA-KSZLIROESA-N 3 2 309.542 3.207 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000248175991 432273344 /nfs/dbraw/zinc/27/33/44/432273344.db2.gz VOHSATNYOCYSKA-KSZLIROESA-N 3 2 309.542 3.207 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(F)c1F ZINC000183267435 432275721 /nfs/dbraw/zinc/27/57/21/432275721.db2.gz JZEMLXLLBVNXKT-UONOGXRCSA-N 2 2 324.415 3.116 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000270695186 432277970 /nfs/dbraw/zinc/27/79/70/432277970.db2.gz YXHYQLVUVVLYQH-RHSMWYFYSA-N 2 2 301.459 3.370 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000270695186 432277974 /nfs/dbraw/zinc/27/79/74/432277974.db2.gz YXHYQLVUVVLYQH-RHSMWYFYSA-N 2 2 301.459 3.370 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@@H](C(C)(C)C)C3)n2c1 ZINC000270695754 432278106 /nfs/dbraw/zinc/27/81/06/432278106.db2.gz WXCVHZDOHOQCSH-GOEBONIOSA-N 2 2 301.434 3.326 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151807255 432278313 /nfs/dbraw/zinc/27/83/13/432278313.db2.gz RGKMSTHFDSTHHK-UWJYYQICSA-N 2 2 324.468 3.065 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000248526447 432298045 /nfs/dbraw/zinc/29/80/45/432298045.db2.gz FRJBIBZROSPDAP-JKSUJKDBSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nc2ccccc2n1C ZINC000248526447 432298047 /nfs/dbraw/zinc/29/80/47/432298047.db2.gz FRJBIBZROSPDAP-JKSUJKDBSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000248021149 432261856 /nfs/dbraw/zinc/26/18/56/432261856.db2.gz NRJKSCUVBJQHNK-JFIYKMOQSA-N 2 2 317.477 3.021 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000248021149 432261860 /nfs/dbraw/zinc/26/18/60/432261860.db2.gz NRJKSCUVBJQHNK-JFIYKMOQSA-N 2 2 317.477 3.021 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1Br ZINC000270622861 432265810 /nfs/dbraw/zinc/26/58/10/432265810.db2.gz DPGDTZAFDWYZIE-UHFFFAOYSA-N 2 2 308.223 3.086 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1Br ZINC000270622861 432265815 /nfs/dbraw/zinc/26/58/15/432265815.db2.gz DPGDTZAFDWYZIE-UHFFFAOYSA-N 2 2 308.223 3.086 20 0 DGADLP C[C@@H]1SCC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000183179925 432266989 /nfs/dbraw/zinc/26/69/89/432266989.db2.gz NWURCLGBYLRESZ-DOTOQJQBSA-N 2 2 301.459 3.452 20 0 DGADLP C[C@@H]1SCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000183179925 432266994 /nfs/dbraw/zinc/26/69/94/432266994.db2.gz NWURCLGBYLRESZ-DOTOQJQBSA-N 2 2 301.459 3.452 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000248075386 432267089 /nfs/dbraw/zinc/26/70/89/432267089.db2.gz MXBAVBGALUZSQB-XMTFNYHQSA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000248075386 432267092 /nfs/dbraw/zinc/26/70/92/432267092.db2.gz MXBAVBGALUZSQB-XMTFNYHQSA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248075386 432267095 /nfs/dbraw/zinc/26/70/95/432267095.db2.gz MXBAVBGALUZSQB-XMTFNYHQSA-N 3 2 309.542 3.205 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000248075386 432267100 /nfs/dbraw/zinc/26/71/00/432267100.db2.gz MXBAVBGALUZSQB-XMTFNYHQSA-N 3 2 309.542 3.205 20 0 DGADLP CCC(CC)[C@@H](CNC(=O)Nc1ccc(C)[nH+]c1C)[NH+](C)C ZINC000152244411 432317660 /nfs/dbraw/zinc/31/76/60/432317660.db2.gz WORHWLQLJZHBJP-MRXNPFEDSA-N 2 2 306.454 3.186 20 0 DGADLP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000192055549 432328830 /nfs/dbraw/zinc/32/88/30/432328830.db2.gz HWBPRYLZYGTWAT-JKSUJKDBSA-N 2 2 305.809 3.046 20 0 DGADLP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000248952090 432330940 /nfs/dbraw/zinc/33/09/40/432330940.db2.gz FGESUMYZCGVAAY-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000248952090 432330942 /nfs/dbraw/zinc/33/09/42/432330942.db2.gz FGESUMYZCGVAAY-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc3ccc(Cl)cn23)CC1 ZINC000271105730 432331165 /nfs/dbraw/zinc/33/11/65/432331165.db2.gz AANAZMQNMQJEGN-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc3ccc(Cl)cn23)CC1 ZINC000271105730 432331169 /nfs/dbraw/zinc/33/11/69/432331169.db2.gz AANAZMQNMQJEGN-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000248997807 432332867 /nfs/dbraw/zinc/33/28/67/432332867.db2.gz PLCHKGJMCAVSKY-RDJZCZTQSA-N 2 2 316.474 3.218 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000248997807 432332869 /nfs/dbraw/zinc/33/28/69/432332869.db2.gz PLCHKGJMCAVSKY-RDJZCZTQSA-N 2 2 316.474 3.218 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192166582 432338358 /nfs/dbraw/zinc/33/83/58/432338358.db2.gz LPAZGVWTSFGYQX-LLVKDONJSA-N 2 2 317.658 3.286 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192166582 432338363 /nfs/dbraw/zinc/33/83/63/432338363.db2.gz LPAZGVWTSFGYQX-LLVKDONJSA-N 2 2 317.658 3.286 20 0 DGADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271179058 432346607 /nfs/dbraw/zinc/34/66/07/432346607.db2.gz IWAOSYAHHHIZCI-KRWDZBQOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271179058 432346609 /nfs/dbraw/zinc/34/66/09/432346609.db2.gz IWAOSYAHHHIZCI-KRWDZBQOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271193885 432350827 /nfs/dbraw/zinc/35/08/27/432350827.db2.gz RLCRQKSHAGUYKF-MRXNPFEDSA-N 2 2 323.444 3.349 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271193885 432350829 /nfs/dbraw/zinc/35/08/29/432350829.db2.gz RLCRQKSHAGUYKF-MRXNPFEDSA-N 2 2 323.444 3.349 20 0 DGADLP CCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834805 432306581 /nfs/dbraw/zinc/30/65/81/432306581.db2.gz WUYAVQLLXNZXCW-PKOBYXMFSA-N 2 2 304.478 3.446 20 0 DGADLP CCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834805 432306588 /nfs/dbraw/zinc/30/65/88/432306588.db2.gz WUYAVQLLXNZXCW-PKOBYXMFSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832694 432306719 /nfs/dbraw/zinc/30/67/19/432306719.db2.gz VIUGWOGMBFJGIX-QFBILLFUSA-N 2 2 314.429 3.221 20 0 DGADLP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834902 432307021 /nfs/dbraw/zinc/30/70/21/432307021.db2.gz VMGQOOSVPNXYKH-PKOBYXMFSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834902 432307026 /nfs/dbraw/zinc/30/70/26/432307026.db2.gz VMGQOOSVPNXYKH-PKOBYXMFSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000248715437 432312611 /nfs/dbraw/zinc/31/26/11/432312611.db2.gz RINLKUQUHWLWFP-CABCVRRESA-N 2 2 323.278 3.474 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Br ZINC000248715437 432312614 /nfs/dbraw/zinc/31/26/14/432312614.db2.gz RINLKUQUHWLWFP-CABCVRRESA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000271399939 432387281 /nfs/dbraw/zinc/38/72/81/432387281.db2.gz LKAVMJKSCIZMGS-MRXNPFEDSA-N 2 2 319.518 3.402 20 0 DGADLP c1nc(N2CCCC2)cc(NCCCCC[NH+]2CCCCC2)[nH+]1 ZINC000192310651 432357744 /nfs/dbraw/zinc/35/77/44/432357744.db2.gz KJFMSDNLZMJNNO-UHFFFAOYSA-N 2 2 317.481 3.145 20 0 DGADLP c1nc(NCCCCC[NH+]2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000192310651 432357748 /nfs/dbraw/zinc/35/77/48/432357748.db2.gz KJFMSDNLZMJNNO-UHFFFAOYSA-N 2 2 317.481 3.145 20 0 DGADLP CCN(CC)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152811832 432358059 /nfs/dbraw/zinc/35/80/59/432358059.db2.gz OEOUVEYAOCTJBI-HNNXBMFYSA-N 2 2 300.450 3.173 20 0 DGADLP CC[NH+](CC)CCN[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152811832 432358063 /nfs/dbraw/zinc/35/80/63/432358063.db2.gz OEOUVEYAOCTJBI-HNNXBMFYSA-N 2 2 300.450 3.173 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000192354571 432363660 /nfs/dbraw/zinc/36/36/60/432363660.db2.gz CFVMWKQMFWLRRG-IBGZPJMESA-N 2 2 302.462 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000192354571 432363663 /nfs/dbraw/zinc/36/36/63/432363663.db2.gz CFVMWKQMFWLRRG-IBGZPJMESA-N 2 2 302.462 3.200 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261630835 432437701 /nfs/dbraw/zinc/43/77/01/432437701.db2.gz FKEGCBMIGDPQJU-BEFAXECRSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261630835 432437705 /nfs/dbraw/zinc/43/77/05/432437705.db2.gz FKEGCBMIGDPQJU-BEFAXECRSA-N 2 2 317.477 3.116 20 0 DGADLP CC1CCN(C(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000261748047 432446945 /nfs/dbraw/zinc/44/69/45/432446945.db2.gz JLMQAQQTPCLDLO-MRXNPFEDSA-N 2 2 318.465 3.063 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000261914066 432459635 /nfs/dbraw/zinc/45/96/35/432459635.db2.gz GRJGDMZLKCXVAQ-CQSZACIVSA-N 2 2 324.852 3.075 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000261914066 432459639 /nfs/dbraw/zinc/45/96/39/432459639.db2.gz GRJGDMZLKCXVAQ-CQSZACIVSA-N 2 2 324.852 3.075 20 0 DGADLP C[C@@H]([NH2+]Cc1cscn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272148388 432451683 /nfs/dbraw/zinc/45/16/83/432451683.db2.gz CVDBGGDUFSXSNE-ZBFHGGJFSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]([NH2+]Cc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148388 432451687 /nfs/dbraw/zinc/45/16/87/432451687.db2.gz CVDBGGDUFSXSNE-ZBFHGGJFSA-N 2 2 301.459 3.143 20 0 DGADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000261806233 432453064 /nfs/dbraw/zinc/45/30/64/432453064.db2.gz FZYBDRBVMFQHOZ-KRWDZBQOSA-N 2 2 312.417 3.109 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261847111 432454515 /nfs/dbraw/zinc/45/45/15/432454515.db2.gz WHTBKFIDDRLMJF-RISCZKNCSA-N 2 2 315.244 3.056 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261847111 432454518 /nfs/dbraw/zinc/45/45/18/432454518.db2.gz WHTBKFIDDRLMJF-RISCZKNCSA-N 2 2 315.244 3.056 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000261831623 432455321 /nfs/dbraw/zinc/45/53/21/432455321.db2.gz JDGFDPDOTGWBDL-BLLLJJGKSA-N 2 2 308.853 3.298 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000261831623 432455327 /nfs/dbraw/zinc/45/53/27/432455327.db2.gz JDGFDPDOTGWBDL-BLLLJJGKSA-N 2 2 308.853 3.298 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271521781 432413544 /nfs/dbraw/zinc/41/35/44/432413544.db2.gz OMQJEBLHYYYOOF-IRXDYDNUSA-N 2 2 317.477 3.234 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271530757 432416598 /nfs/dbraw/zinc/41/65/98/432416598.db2.gz RAXMAHDBVDXMGI-GUYCJALGSA-N 2 2 307.401 3.324 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000272315254 432480691 /nfs/dbraw/zinc/48/06/91/432480691.db2.gz SKQAVAGZMRPTPS-HNNXBMFYSA-N 2 2 324.896 3.445 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]Cc1c[nH+]c2c(C)cccn12)C(C)C ZINC000185236363 432481862 /nfs/dbraw/zinc/48/18/62/432481862.db2.gz NVTVMWLOPMLKSQ-SFHVURJKSA-N 2 2 317.433 3.100 20 0 DGADLP C[C@H](CC1CC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272330517 432483146 /nfs/dbraw/zinc/48/31/46/432483146.db2.gz XUWFRIQKCWZHDC-CQSZACIVSA-N 2 2 302.466 3.213 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)co2)cc1 ZINC000262409413 432484068 /nfs/dbraw/zinc/48/40/68/432484068.db2.gz CZLXVNITFPEATG-CJNGLKHVSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)co2)cc1 ZINC000262409413 432484071 /nfs/dbraw/zinc/48/40/71/432484071.db2.gz CZLXVNITFPEATG-CJNGLKHVSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000262513213 432489236 /nfs/dbraw/zinc/48/92/36/432489236.db2.gz NBVGCEFLWWLJDI-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000262513213 432489240 /nfs/dbraw/zinc/48/92/40/432489240.db2.gz NBVGCEFLWWLJDI-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272409577 432496644 /nfs/dbraw/zinc/49/66/44/432496644.db2.gz FNFQRYNHALVZOI-NVXWUHKLSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272409577 432496649 /nfs/dbraw/zinc/49/66/49/432496649.db2.gz FNFQRYNHALVZOI-NVXWUHKLSA-N 2 2 315.486 3.452 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC1 ZINC000262652983 432496754 /nfs/dbraw/zinc/49/67/54/432496754.db2.gz LVHXYOLNGWMTBF-UHFFFAOYSA-N 2 2 324.428 3.096 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2[nH+]1 ZINC000262681647 432498085 /nfs/dbraw/zinc/49/80/85/432498085.db2.gz WDIXAFWTODQKQN-QWHCGFSZSA-N 2 2 314.433 3.362 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000176226856 432503474 /nfs/dbraw/zinc/50/34/74/432503474.db2.gz PFSBIKJRHSUONF-ZDUSSCGKSA-N 2 2 309.360 3.219 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272447441 432503544 /nfs/dbraw/zinc/50/35/44/432503544.db2.gz VHFXZNWBCQHFJD-AFYVEPGGSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447441 432503547 /nfs/dbraw/zinc/50/35/47/432503547.db2.gz VHFXZNWBCQHFJD-AFYVEPGGSA-N 3 2 324.472 3.057 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261948464 432463806 /nfs/dbraw/zinc/46/38/06/432463806.db2.gz FRICGQHJVCWTEN-GOSISDBHSA-N 2 2 320.864 3.314 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261948464 432463811 /nfs/dbraw/zinc/46/38/11/432463811.db2.gz FRICGQHJVCWTEN-GOSISDBHSA-N 2 2 320.864 3.314 20 0 DGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000261988030 432468094 /nfs/dbraw/zinc/46/80/94/432468094.db2.gz JXLGOVFJJOAMKY-QGZVFWFLSA-N 2 2 320.440 3.209 20 0 DGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000261988030 432468097 /nfs/dbraw/zinc/46/80/97/432468097.db2.gz JXLGOVFJJOAMKY-QGZVFWFLSA-N 2 2 320.440 3.209 20 0 DGADLP CC[N@H+](Cc1cc(C(=O)OC)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000262029305 432469369 /nfs/dbraw/zinc/46/93/69/432469369.db2.gz WXVCSISMGWGNRJ-OAHLLOKOSA-N 2 2 324.852 3.091 20 0 DGADLP CC[N@@H+](Cc1cc(C(=O)OC)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000262029305 432469372 /nfs/dbraw/zinc/46/93/72/432469372.db2.gz WXVCSISMGWGNRJ-OAHLLOKOSA-N 2 2 324.852 3.091 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1F ZINC000262040426 432469484 /nfs/dbraw/zinc/46/94/84/432469484.db2.gz YGBSEZOCQBRMPE-UHFFFAOYSA-N 2 2 306.425 3.188 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1O ZINC000185680422 432524730 /nfs/dbraw/zinc/52/47/30/432524730.db2.gz GQXRVACUORWVLP-AUUYWEPGSA-N 2 2 314.429 3.182 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427888647 281851754 /nfs/dbraw/zinc/85/17/54/281851754.db2.gz XRUZFTUVBBVFNN-AAEUAGOBSA-N 2 2 304.463 3.437 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194224459 432533162 /nfs/dbraw/zinc/53/31/62/432533162.db2.gz CQBFIOCGJSLXKS-INIZCTEOSA-N 2 2 312.461 3.431 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194224459 432533165 /nfs/dbraw/zinc/53/31/65/432533165.db2.gz CQBFIOCGJSLXKS-INIZCTEOSA-N 2 2 312.461 3.431 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135424 432608295 /nfs/dbraw/zinc/60/82/95/432608295.db2.gz IZNIYBAJUWAOLC-HOCLYGCPSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135424 432608298 /nfs/dbraw/zinc/60/82/98/432608298.db2.gz IZNIYBAJUWAOLC-HOCLYGCPSA-N 2 2 301.459 3.316 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1SC ZINC000194881021 432583839 /nfs/dbraw/zinc/58/38/39/432583839.db2.gz LIQXRJIENPHKIW-LSDHHAIUSA-N 2 2 308.491 3.170 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1SC ZINC000194881021 432583845 /nfs/dbraw/zinc/58/38/45/432583845.db2.gz LIQXRJIENPHKIW-LSDHHAIUSA-N 2 2 308.491 3.170 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158182366 432640338 /nfs/dbraw/zinc/64/03/38/432640338.db2.gz VNHSXQSFBORTDQ-RDJZCZTQSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182366 432640340 /nfs/dbraw/zinc/64/03/40/432640340.db2.gz VNHSXQSFBORTDQ-RDJZCZTQSA-N 3 2 312.461 3.173 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1OCC ZINC000177837742 432666018 /nfs/dbraw/zinc/66/60/18/432666018.db2.gz XNCBJOYIUBYDTA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1OCC ZINC000177837742 432666020 /nfs/dbraw/zinc/66/60/20/432666020.db2.gz XNCBJOYIUBYDTA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1OCC ZINC000177837742 432666024 /nfs/dbraw/zinc/66/60/24/432666024.db2.gz XNCBJOYIUBYDTA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1OCC ZINC000177837742 432666029 /nfs/dbraw/zinc/66/60/29/432666029.db2.gz XNCBJOYIUBYDTA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP COCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000178245210 432711011 /nfs/dbraw/zinc/71/10/11/432711011.db2.gz ULSUNHJIIFQWMJ-OAHLLOKOSA-N 2 2 308.441 3.195 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274814582 432711398 /nfs/dbraw/zinc/71/13/98/432711398.db2.gz WCEJWIINIXEPTP-LPHOPBHVSA-N 2 2 304.478 3.302 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000274814582 432711402 /nfs/dbraw/zinc/71/14/02/432711402.db2.gz WCEJWIINIXEPTP-LPHOPBHVSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000274835890 432715851 /nfs/dbraw/zinc/71/58/51/432715851.db2.gz VGKHJVOZLTWVET-FQEVSTJZSA-N 2 2 324.468 3.278 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000274835890 432715856 /nfs/dbraw/zinc/71/58/56/432715856.db2.gz VGKHJVOZLTWVET-FQEVSTJZSA-N 2 2 324.468 3.278 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@@H+]1C ZINC000178298089 432717232 /nfs/dbraw/zinc/71/72/32/432717232.db2.gz ATXFOVLUTGGONV-NVXWUHKLSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@H+]1C ZINC000178298089 432717235 /nfs/dbraw/zinc/71/72/35/432717235.db2.gz ATXFOVLUTGGONV-NVXWUHKLSA-N 2 2 311.429 3.446 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)c2cn(C)nc2C)[NH+](C)C)cc1 ZINC000178060794 432690643 /nfs/dbraw/zinc/69/06/43/432690643.db2.gz JMHFXAQYURBBKO-LIRRHRJNSA-N 2 2 314.477 3.244 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)c2cn(C)nc2C)[NH+](C)C)cc1 ZINC000178060806 432691121 /nfs/dbraw/zinc/69/11/21/432691121.db2.gz JMHFXAQYURBBKO-AUUYWEPGSA-N 2 2 314.477 3.244 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)CCO1 ZINC000178532052 432748168 /nfs/dbraw/zinc/74/81/68/432748168.db2.gz NWZRLKTUOKYHOK-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)CCO1 ZINC000178532052 432748172 /nfs/dbraw/zinc/74/81/72/432748172.db2.gz NWZRLKTUOKYHOK-OAHLLOKOSA-N 2 2 314.429 3.118 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCOc3ccccc3)C2)cc1 ZINC000236616444 432750941 /nfs/dbraw/zinc/75/09/41/432750941.db2.gz AUKFGIJQXAKVOC-IBGZPJMESA-N 2 2 310.441 3.320 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCOc3ccccc3)C2)cc1 ZINC000236616444 432750945 /nfs/dbraw/zinc/75/09/45/432750945.db2.gz AUKFGIJQXAKVOC-IBGZPJMESA-N 2 2 310.441 3.320 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161524297 432782484 /nfs/dbraw/zinc/78/24/84/432782484.db2.gz OOBGQJOXCHTIHS-APWZRJJASA-N 2 2 321.424 3.299 20 0 DGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178658619 432763607 /nfs/dbraw/zinc/76/36/07/432763607.db2.gz TYIZNRGFZBPUBF-YVEFUNNKSA-N 2 2 314.433 3.075 20 0 DGADLP Fc1cc(Cl)ccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000189246781 432772032 /nfs/dbraw/zinc/77/20/32/432772032.db2.gz IQRDPJUESVCKOB-UHFFFAOYSA-N 2 2 303.768 3.459 20 0 DGADLP CCOC(CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OCC ZINC000276191342 432780256 /nfs/dbraw/zinc/78/02/56/432780256.db2.gz HXNGCOBIPCBAPI-SJLPKXTDSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OCC ZINC000276191342 432780259 /nfs/dbraw/zinc/78/02/59/432780259.db2.gz HXNGCOBIPCBAPI-SJLPKXTDSA-N 2 2 320.477 3.028 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000178428854 432734591 /nfs/dbraw/zinc/73/45/91/432734591.db2.gz VBOVXCOTDXCKIO-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000178428854 432734592 /nfs/dbraw/zinc/73/45/92/432734592.db2.gz VBOVXCOTDXCKIO-MRXNPFEDSA-N 2 2 320.440 3.423 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000178426167 432735492 /nfs/dbraw/zinc/73/54/92/432735492.db2.gz GQWDUZCBRRMIOP-HNNXBMFYSA-N 2 2 322.880 3.321 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)c(C)c1 ZINC000275680810 432739568 /nfs/dbraw/zinc/73/95/68/432739568.db2.gz ICIASXCVIGJOKY-INIZCTEOSA-N 2 2 317.477 3.094 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000234368991 432739966 /nfs/dbraw/zinc/73/99/66/432739966.db2.gz NYMQGNDGAGBENQ-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000234368991 432739970 /nfs/dbraw/zinc/73/99/70/432739970.db2.gz NYMQGNDGAGBENQ-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000162297510 432819522 /nfs/dbraw/zinc/81/95/22/432819522.db2.gz JUMXOEQUNWNMQJ-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000276598860 432822195 /nfs/dbraw/zinc/82/21/95/432822195.db2.gz FAMSBHMGGHJHFM-HNNXBMFYSA-N 2 2 301.434 3.464 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267282145 432828804 /nfs/dbraw/zinc/82/88/04/432828804.db2.gz OZPLMJFQOCVSBK-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267282145 432828807 /nfs/dbraw/zinc/82/88/07/432828807.db2.gz OZPLMJFQOCVSBK-YOEHRIQHSA-N 2 2 315.486 3.452 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444566 432832013 /nfs/dbraw/zinc/83/20/13/432832013.db2.gz JTHGLLUORNCPRE-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444566 432832015 /nfs/dbraw/zinc/83/20/15/432832015.db2.gz JTHGLLUORNCPRE-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444566 432832017 /nfs/dbraw/zinc/83/20/17/432832017.db2.gz JTHGLLUORNCPRE-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000245444566 432832020 /nfs/dbraw/zinc/83/20/20/432832020.db2.gz JTHGLLUORNCPRE-HUUCEWRRSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCCCCC1 ZINC000237363225 432786139 /nfs/dbraw/zinc/78/61/39/432786139.db2.gz VWTUEQPTYYUMNY-INIZCTEOSA-N 2 2 318.461 3.202 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCCCCC1 ZINC000237534680 432791283 /nfs/dbraw/zinc/79/12/83/432791283.db2.gz VWTUEQPTYYUMNY-MRXNPFEDSA-N 2 2 318.461 3.202 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000161883957 432803077 /nfs/dbraw/zinc/80/30/77/432803077.db2.gz WXYIBGKCEOLGJK-WBVHZDCISA-N 2 2 312.461 3.116 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000161883957 432803079 /nfs/dbraw/zinc/80/30/79/432803079.db2.gz WXYIBGKCEOLGJK-WBVHZDCISA-N 2 2 312.461 3.116 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100264 432814038 /nfs/dbraw/zinc/81/40/38/432814038.db2.gz TZKGAKVIETWOMI-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100264 432814040 /nfs/dbraw/zinc/81/40/40/432814040.db2.gz TZKGAKVIETWOMI-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100264 432814043 /nfs/dbraw/zinc/81/40/43/432814043.db2.gz TZKGAKVIETWOMI-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000267100264 432814047 /nfs/dbraw/zinc/81/40/47/432814047.db2.gz TZKGAKVIETWOMI-WMLDXEAASA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646893 432866653 /nfs/dbraw/zinc/86/66/53/432866653.db2.gz HYPROIQOQHIPQQ-CYBMUJFWSA-N 2 2 315.383 3.264 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646893 432866655 /nfs/dbraw/zinc/86/66/55/432866655.db2.gz HYPROIQOQHIPQQ-CYBMUJFWSA-N 2 2 315.383 3.264 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646893 432866657 /nfs/dbraw/zinc/86/66/57/432866657.db2.gz HYPROIQOQHIPQQ-CYBMUJFWSA-N 2 2 315.383 3.264 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000277646893 432866658 /nfs/dbraw/zinc/86/66/58/432866658.db2.gz HYPROIQOQHIPQQ-CYBMUJFWSA-N 2 2 315.383 3.264 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000277728176 432872656 /nfs/dbraw/zinc/87/26/56/432872656.db2.gz NUTQJVURTFKRSX-CYBMUJFWSA-N 2 2 313.367 3.018 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000277728176 432872659 /nfs/dbraw/zinc/87/26/59/432872659.db2.gz NUTQJVURTFKRSX-CYBMUJFWSA-N 2 2 313.367 3.018 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000163431969 432852111 /nfs/dbraw/zinc/85/21/11/432852111.db2.gz LXFVNTQNKWUYGP-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C[C@@H]1C[NH3+] ZINC000163431969 432852115 /nfs/dbraw/zinc/85/21/15/432852115.db2.gz LXFVNTQNKWUYGP-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)C[C@@H]1C[NH3+] ZINC000163405060 432852453 /nfs/dbraw/zinc/85/24/53/432852453.db2.gz OVGOJUHQTQSXTD-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C[C@@H]1C[NH3+] ZINC000163405060 432852457 /nfs/dbraw/zinc/85/24/57/432852457.db2.gz OVGOJUHQTQSXTD-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP c1sc(C2CC2)nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245667721 432854741 /nfs/dbraw/zinc/85/47/41/432854741.db2.gz RJJZGOPMLUKPPO-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245667721 432854745 /nfs/dbraw/zinc/85/47/45/432854745.db2.gz RJJZGOPMLUKPPO-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245667721 432854748 /nfs/dbraw/zinc/85/47/48/432854748.db2.gz RJJZGOPMLUKPPO-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1sc(C2CC2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245667721 432854752 /nfs/dbraw/zinc/85/47/52/432854752.db2.gz RJJZGOPMLUKPPO-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCN1CCc2sccc2C1 ZINC000289162584 432928409 /nfs/dbraw/zinc/92/84/09/432928409.db2.gz DRHATCVFZQOTNX-UHFFFAOYSA-N 2 2 315.486 3.032 20 0 DGADLP Cc1nc(C2([NH2+]CCCc3c[nH+]ccc3C)CCCCC2)no1 ZINC000289204986 432933208 /nfs/dbraw/zinc/93/32/08/432933208.db2.gz HYZOBFJQDLYWGN-UHFFFAOYSA-N 2 2 314.433 3.463 20 0 DGADLP CCN(CC)c1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000289302236 432942553 /nfs/dbraw/zinc/94/25/53/432942553.db2.gz RDEMSPRXMFKYIZ-UHFFFAOYSA-N 2 2 312.461 3.354 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321425 432944515 /nfs/dbraw/zinc/94/45/15/432944515.db2.gz GGWDWTGKJTXFGE-MFKMUULPSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321425 432944518 /nfs/dbraw/zinc/94/45/18/432944518.db2.gz GGWDWTGKJTXFGE-MFKMUULPSA-N 2 2 317.260 3.099 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000289347749 432947158 /nfs/dbraw/zinc/94/71/58/432947158.db2.gz WYMHWHGGFQQECA-GOSISDBHSA-N 2 2 309.457 3.439 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000278789593 432900641 /nfs/dbraw/zinc/90/06/41/432900641.db2.gz QHIRRWXNXDJHDO-DOMZBBRYSA-N 2 2 310.438 3.083 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847454 432908925 /nfs/dbraw/zinc/90/89/25/432908925.db2.gz QBTUOGKHNLSDPI-HFBDOXOYSA-N 2 2 302.796 3.437 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847454 432908926 /nfs/dbraw/zinc/90/89/26/432908926.db2.gz QBTUOGKHNLSDPI-HFBDOXOYSA-N 2 2 302.796 3.437 20 0 DGADLP Cc1cc[nH+]cc1CCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000289023488 432913153 /nfs/dbraw/zinc/91/31/53/432913153.db2.gz AKZUWOHWSIBHPT-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP Cc1cc[nH+]cc1CCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000289023488 432913155 /nfs/dbraw/zinc/91/31/55/432913155.db2.gz AKZUWOHWSIBHPT-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP COCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000296543403 432920003 /nfs/dbraw/zinc/92/00/03/432920003.db2.gz TZCNXZGSXVCLIG-UHFFFAOYSA-N 2 2 317.408 3.306 20 0 DGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000341112479 432965888 /nfs/dbraw/zinc/96/58/88/432965888.db2.gz RBJJBPWXABNLNU-UHFFFAOYSA-N 2 2 320.330 3.300 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000349565896 432977256 /nfs/dbraw/zinc/97/72/56/432977256.db2.gz PLJUEXPLSXZEHA-SFHVURJKSA-N 2 2 314.404 3.286 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000349565896 432977261 /nfs/dbraw/zinc/97/72/61/432977261.db2.gz PLJUEXPLSXZEHA-SFHVURJKSA-N 2 2 314.404 3.286 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000297265951 432983533 /nfs/dbraw/zinc/98/35/33/432983533.db2.gz KKGJAWGJJRBEMU-MDZRGWNJSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000297265951 432983539 /nfs/dbraw/zinc/98/35/39/432983539.db2.gz KKGJAWGJJRBEMU-MDZRGWNJSA-N 2 2 302.462 3.061 20 0 DGADLP Brc1cccc2c1CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000341182176 432984928 /nfs/dbraw/zinc/98/49/28/432984928.db2.gz HBVYLMKOXYYRNW-HNNXBMFYSA-N 2 2 320.234 3.313 20 0 DGADLP Clc1cnc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000349645757 432985591 /nfs/dbraw/zinc/98/55/91/432985591.db2.gz MRNVNGUIVRHCFG-UHFFFAOYSA-N 2 2 306.822 3.395 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000290060068 432986344 /nfs/dbraw/zinc/98/63/44/432986344.db2.gz FOCMBZYLTJVTFY-NVXWUHKLSA-N 2 2 300.450 3.209 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000290060068 432986348 /nfs/dbraw/zinc/98/63/48/432986348.db2.gz FOCMBZYLTJVTFY-NVXWUHKLSA-N 2 2 300.450 3.209 20 0 DGADLP CCn1nc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c2ccccc21 ZINC000349648115 432986459 /nfs/dbraw/zinc/98/64/59/432986459.db2.gz XQELRQGUNRLKLN-MRXNPFEDSA-N 2 2 314.477 3.410 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000279613678 432988673 /nfs/dbraw/zinc/98/86/73/432988673.db2.gz AAIHRARFYZLFLT-UHFFFAOYSA-N 2 2 323.444 3.224 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H](O)c1ccccc1 ZINC000279645579 432989737 /nfs/dbraw/zinc/98/97/37/432989737.db2.gz JUEPCZAXYIPQPG-JZGRTCEGSA-N 2 2 302.462 3.104 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H](O)c1ccccc1 ZINC000279645579 432989740 /nfs/dbraw/zinc/98/97/40/432989740.db2.gz JUEPCZAXYIPQPG-JZGRTCEGSA-N 2 2 302.462 3.104 20 0 DGADLP Cc1cc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn2cc[nH+]c12 ZINC000297061623 432954108 /nfs/dbraw/zinc/95/41/08/432954108.db2.gz SYMMILNFNYCLHY-CQSZACIVSA-N 2 2 324.388 3.125 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349799796 433010395 /nfs/dbraw/zinc/01/03/95/433010395.db2.gz AYRPWYZDOPDHQF-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000349799796 433010399 /nfs/dbraw/zinc/01/03/99/433010399.db2.gz AYRPWYZDOPDHQF-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766183 433015276 /nfs/dbraw/zinc/01/52/76/433015276.db2.gz OZFXKKFYIMIHKE-NEWSRXKRSA-N 2 2 324.472 3.043 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766183 433015278 /nfs/dbraw/zinc/01/52/78/433015278.db2.gz OZFXKKFYIMIHKE-NEWSRXKRSA-N 2 2 324.472 3.043 20 0 DGADLP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)OC ZINC000290233536 433019325 /nfs/dbraw/zinc/01/93/25/433019325.db2.gz RYHYZVWXZFRIAT-QGZVFWFLSA-N 2 2 310.869 3.319 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H](O)c1cccc(F)c1 ZINC000290288784 433027732 /nfs/dbraw/zinc/02/77/32/433027732.db2.gz GUKCUYVUQDSIFZ-KDOFPFPSSA-N 2 2 302.393 3.173 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000290362732 433038347 /nfs/dbraw/zinc/03/83/47/433038347.db2.gz QUVZVUMXVBQDNE-MRXNPFEDSA-N 2 2 300.377 3.357 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000290357691 433039245 /nfs/dbraw/zinc/03/92/45/433039245.db2.gz MOYQIEAONUSGCA-KBXCAEBGSA-N 2 2 302.393 3.173 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)cc(C)n1 ZINC000290366224 433041214 /nfs/dbraw/zinc/04/12/14/433041214.db2.gz HDHYTEKUWHGLHU-UHFFFAOYSA-N 2 2 316.449 3.070 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)cc(C)n1 ZINC000290366224 433041217 /nfs/dbraw/zinc/04/12/17/433041217.db2.gz HDHYTEKUWHGLHU-UHFFFAOYSA-N 2 2 316.449 3.070 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000350006024 433049908 /nfs/dbraw/zinc/04/99/08/433049908.db2.gz FGGYQSFARWLUTN-SJLPKXTDSA-N 2 2 317.477 3.268 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000350006024 433049912 /nfs/dbraw/zinc/04/99/12/433049912.db2.gz FGGYQSFARWLUTN-SJLPKXTDSA-N 2 2 317.477 3.268 20 0 DGADLP CC[N@@H+](Cc1[nH]ncc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413252 433047961 /nfs/dbraw/zinc/04/79/61/433047961.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1[nH]ncc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413252 433047964 /nfs/dbraw/zinc/04/79/64/433047964.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1[nH]ncc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290413252 433047967 /nfs/dbraw/zinc/04/79/67/433047967.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1[nH]ncc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290413252 433047972 /nfs/dbraw/zinc/04/79/72/433047972.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@@H+](Cc1n[nH]cc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413252 433047976 /nfs/dbraw/zinc/04/79/76/433047976.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1n[nH]cc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290413252 433047980 /nfs/dbraw/zinc/04/79/80/433047980.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1n[nH]cc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290413252 433047983 /nfs/dbraw/zinc/04/79/83/433047983.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1n[nH]cc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290413252 433047988 /nfs/dbraw/zinc/04/79/88/433047988.db2.gz LPRZTDWAQKXBKS-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000290436370 433052362 /nfs/dbraw/zinc/05/23/62/433052362.db2.gz LOGGLHPHQHBXPS-UHFFFAOYSA-N 3 2 314.477 3.494 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000290436370 433052366 /nfs/dbraw/zinc/05/23/66/433052366.db2.gz LOGGLHPHQHBXPS-UHFFFAOYSA-N 3 2 314.477 3.494 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)n1C ZINC000419707760 433067936 /nfs/dbraw/zinc/06/79/36/433067936.db2.gz FXTPXSDKPSWOGY-UHFFFAOYSA-N 2 2 312.461 3.086 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C3CC3)C3CCC3)[nH+]c2)C1 ZINC000453181557 289317702 /nfs/dbraw/zinc/31/77/02/289317702.db2.gz ZCNWWGJDXXWWTN-IEBWSBKVSA-N 2 2 314.477 3.213 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)co1 ZINC000350098359 433075278 /nfs/dbraw/zinc/07/52/78/433075278.db2.gz LSCMDTIBQHRFAF-WMLDXEAASA-N 2 2 322.449 3.056 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000361286485 433079692 /nfs/dbraw/zinc/07/96/92/433079692.db2.gz DEADFEDFFSCFSH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000361286485 433079699 /nfs/dbraw/zinc/07/96/99/433079699.db2.gz DEADFEDFFSCFSH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361286485 433079706 /nfs/dbraw/zinc/07/97/06/433079706.db2.gz DEADFEDFFSCFSH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361286485 433079712 /nfs/dbraw/zinc/07/97/12/433079712.db2.gz DEADFEDFFSCFSH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COCc1cc(NCC(C)(C)[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000290532964 433084734 /nfs/dbraw/zinc/08/47/34/433084734.db2.gz OIZWAIDARYVYJK-UHFFFAOYSA-N 2 2 305.397 3.272 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000453316326 433085822 /nfs/dbraw/zinc/08/58/22/433085822.db2.gz KFOFIPNNHIITMI-CRAIPNDOSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000453316326 433085831 /nfs/dbraw/zinc/08/58/31/433085831.db2.gz KFOFIPNNHIITMI-CRAIPNDOSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000290642451 433124541 /nfs/dbraw/zinc/12/45/41/433124541.db2.gz JPPGQAPETSIULK-HNNXBMFYSA-N 2 2 321.465 3.216 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000446935952 433132478 /nfs/dbraw/zinc/13/24/78/433132478.db2.gz IXKFNOAAVLDVKJ-QGZVFWFLSA-N 2 2 310.376 3.174 20 0 DGADLP CC(C)c1nc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(C(C)(C)C)[nH+]1 ZINC000420235745 433134131 /nfs/dbraw/zinc/13/41/31/433134131.db2.gz IXVXHPZPUSRION-OKILXGFUSA-N 2 2 302.466 3.228 20 0 DGADLP CC(C)C[C@H](CCO)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361368633 433136141 /nfs/dbraw/zinc/13/61/41/433136141.db2.gz RQDNVXMVTWIQRM-AWEZNQCLSA-N 2 2 324.431 3.038 20 0 DGADLP CC(C)c1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc(C(C)C)[nH+]1 ZINC000420254421 433138623 /nfs/dbraw/zinc/13/86/23/433138623.db2.gz ROJFUTUEWHRVIA-GOSISDBHSA-N 2 2 302.466 3.303 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420263952 433140236 /nfs/dbraw/zinc/14/02/36/433140236.db2.gz UGKHRIVVLCOHGW-ZIAGYGMSSA-N 2 2 302.466 3.086 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000420297123 433149998 /nfs/dbraw/zinc/14/99/98/433149998.db2.gz FNDIWZFUVSDGBN-CABZTGNLSA-N 2 2 315.280 3.265 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000420297123 433150004 /nfs/dbraw/zinc/15/00/04/433150004.db2.gz FNDIWZFUVSDGBN-CABZTGNLSA-N 2 2 315.280 3.265 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000361400753 433153116 /nfs/dbraw/zinc/15/31/16/433153116.db2.gz RKVAAAKOFBPCSK-YJBOKZPZSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000361400753 433153127 /nfs/dbraw/zinc/15/31/27/433153127.db2.gz RKVAAAKOFBPCSK-YJBOKZPZSA-N 2 2 319.518 3.025 20 0 DGADLP CC[NH+](CC)[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000350175153 433103725 /nfs/dbraw/zinc/10/37/25/433103725.db2.gz GCVUCTDDOKNTRO-GOSISDBHSA-N 2 2 322.412 3.356 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333808878 433107544 /nfs/dbraw/zinc/10/75/44/433107544.db2.gz IWYZQUQDBMRWRU-RJBHSWFSSA-N 3 2 319.537 3.040 20 0 DGADLP Cc1cc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341525549 433113232 /nfs/dbraw/zinc/11/32/32/433113232.db2.gz YROINZKKKUCKBM-ACJLOTCBSA-N 2 2 302.466 3.585 20 0 DGADLP COCC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccc(C)o1 ZINC000350247509 433119113 /nfs/dbraw/zinc/11/91/13/433119113.db2.gz KYDXYXJEONPVRZ-MRXNPFEDSA-N 2 2 313.401 3.412 20 0 DGADLP COC1CCC(CC[NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000350226839 433119199 /nfs/dbraw/zinc/11/91/99/433119199.db2.gz ROCCHVWYQUDSAD-UHFFFAOYSA-N 2 2 301.434 3.328 20 0 DGADLP Cc1[nH+]ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c1Cl ZINC000350246331 433119282 /nfs/dbraw/zinc/11/92/82/433119282.db2.gz IRFKLIAPJWGKGS-UHFFFAOYSA-N 2 2 312.804 3.322 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000354566889 433156822 /nfs/dbraw/zinc/15/68/22/433156822.db2.gz MYLAZUHARXPZOW-MRXNPFEDSA-N 2 2 317.408 3.143 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000354566889 433156832 /nfs/dbraw/zinc/15/68/32/433156832.db2.gz MYLAZUHARXPZOW-MRXNPFEDSA-N 2 2 317.408 3.143 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000354568027 433156987 /nfs/dbraw/zinc/15/69/87/433156987.db2.gz KDDMATCQTIQUPC-KSZLIROESA-N 2 2 300.446 3.260 20 0 DGADLP CCC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC000420319227 433162741 /nfs/dbraw/zinc/16/27/41/433162741.db2.gz OZFOCORYAHSDDD-UHFFFAOYSA-N 2 2 313.445 3.123 20 0 DGADLP CCC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC000420319227 433162752 /nfs/dbraw/zinc/16/27/52/433162752.db2.gz OZFOCORYAHSDDD-UHFFFAOYSA-N 2 2 313.445 3.123 20 0 DGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000354582941 433163458 /nfs/dbraw/zinc/16/34/58/433163458.db2.gz ICFDIOSSBNEYRR-HZPDHXFCSA-N 2 2 315.461 3.301 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccnc(OC3CCC3)c2)c[nH+]1 ZINC000354585409 433163600 /nfs/dbraw/zinc/16/36/00/433163600.db2.gz NHOSTRQCYJKCAT-UHFFFAOYSA-N 2 2 311.429 3.439 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324873 433167809 /nfs/dbraw/zinc/16/78/09/433167809.db2.gz VNHNWYWGHCFEIS-MNOVXSKESA-N 2 2 323.412 3.257 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324873 433167816 /nfs/dbraw/zinc/16/78/16/433167816.db2.gz VNHNWYWGHCFEIS-MNOVXSKESA-N 2 2 323.412 3.257 20 0 DGADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000453415991 433172386 /nfs/dbraw/zinc/17/23/86/433172386.db2.gz BSCABSJIGZWZEQ-OALUTQOASA-N 2 2 301.478 3.460 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420354838 433174212 /nfs/dbraw/zinc/17/42/12/433174212.db2.gz DOKFMVAHRKFUEO-INIZCTEOSA-N 2 2 323.868 3.084 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1nc2ccccc2n1C(F)F ZINC000420356587 433177903 /nfs/dbraw/zinc/17/79/03/433177903.db2.gz CTYQMRHCQTVNNF-MCYUEQNJSA-N 2 2 322.403 3.469 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420365768 433181156 /nfs/dbraw/zinc/18/11/56/433181156.db2.gz LNEQZZLKWQQFAK-XUJVJEKNSA-N 2 2 316.367 3.104 20 0 DGADLP Cc1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000420369592 433181840 /nfs/dbraw/zinc/18/18/40/433181840.db2.gz XUANXQYEKJMESU-INIZCTEOSA-N 2 2 323.868 3.084 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000298571610 433181957 /nfs/dbraw/zinc/18/19/57/433181957.db2.gz DMRWAZAZVHCWPM-HZPDHXFCSA-N 2 2 317.452 3.142 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000298571610 433181966 /nfs/dbraw/zinc/18/19/66/433181966.db2.gz DMRWAZAZVHCWPM-HZPDHXFCSA-N 2 2 317.452 3.142 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000420364329 433183633 /nfs/dbraw/zinc/18/36/33/433183633.db2.gz KHNKRFNLVHBBTL-BFQNTYOBSA-N 2 2 303.837 3.364 20 0 DGADLP Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346648 433186273 /nfs/dbraw/zinc/18/62/73/433186273.db2.gz WRNNJRJUSOVCSG-RDJZCZTQSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346648 433186282 /nfs/dbraw/zinc/18/62/82/433186282.db2.gz WRNNJRJUSOVCSG-RDJZCZTQSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000420381714 433194489 /nfs/dbraw/zinc/19/44/89/433194489.db2.gz ZGOLZNQIROSXRI-RULNRJAQSA-N 2 2 315.230 3.064 20 0 DGADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420405816 433195736 /nfs/dbraw/zinc/19/57/36/433195736.db2.gz MZCHGPLQJWRPMT-OAHLLOKOSA-N 2 2 316.449 3.449 20 0 DGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336869017 433198575 /nfs/dbraw/zinc/19/85/75/433198575.db2.gz XVMLIZOGQZDWKB-OAHLLOKOSA-N 2 2 316.449 3.191 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000354652570 433201903 /nfs/dbraw/zinc/20/19/03/433201903.db2.gz RHOAXBSLBSFGGV-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000354652570 433201912 /nfs/dbraw/zinc/20/19/12/433201912.db2.gz RHOAXBSLBSFGGV-UTKZUKDTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2nc(-c3ccccc3)no2)c[nH+]1 ZINC000354654374 433206106 /nfs/dbraw/zinc/20/61/06/433206106.db2.gz FPAOJHWXUNNLKR-UHFFFAOYSA-N 2 2 308.385 3.162 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)n1C ZINC000425372693 433213439 /nfs/dbraw/zinc/21/34/39/433213439.db2.gz UCHARJLGHYJNCD-ZWKOTPCHSA-N 2 2 312.461 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)n1C ZINC000425372693 433213450 /nfs/dbraw/zinc/21/34/50/433213450.db2.gz UCHARJLGHYJNCD-ZWKOTPCHSA-N 2 2 312.461 3.254 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)[nH+]1 ZINC000425374837 433214152 /nfs/dbraw/zinc/21/41/52/433214152.db2.gz SSYRUQMJOIGDBF-SFHVURJKSA-N 2 2 311.429 3.115 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)[nH+]1 ZINC000425374837 433214159 /nfs/dbraw/zinc/21/41/59/433214159.db2.gz SSYRUQMJOIGDBF-SFHVURJKSA-N 2 2 311.429 3.115 20 0 DGADLP c1cn(CC[NH2+][C@@H](COc2ccccc2)c2ccccc2)c[nH+]1 ZINC000341696241 433219457 /nfs/dbraw/zinc/21/94/57/433219457.db2.gz LVGKXDGTZOALRC-IBGZPJMESA-N 2 2 307.397 3.293 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCSC1 ZINC000341700073 433222778 /nfs/dbraw/zinc/22/27/78/433222778.db2.gz STDGNRIYVZVDSC-SJORKVTESA-N 2 2 308.466 3.230 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3C[C@@]4(CCCO4)[C@H]3C3CC3)c2)c[nH+]1 ZINC000354710727 433229795 /nfs/dbraw/zinc/22/97/95/433229795.db2.gz HJAXRTLAPFWEME-SJORKVTESA-N 2 2 315.442 3.077 20 0 DGADLP c1cn(-c2csc(C[N@H+]3C[C@@]4(CCCO4)[C@H]3C3CC3)c2)c[nH+]1 ZINC000354710727 433229806 /nfs/dbraw/zinc/22/98/06/433229806.db2.gz HJAXRTLAPFWEME-SJORKVTESA-N 2 2 315.442 3.077 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000447564883 433231270 /nfs/dbraw/zinc/23/12/70/433231270.db2.gz ZJRZCDYGNMKKJM-KKUMJFAQSA-N 2 2 322.449 3.085 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NC3CCC([NH+](C)C)CC3)c2c1 ZINC000420626915 433232552 /nfs/dbraw/zinc/23/25/52/433232552.db2.gz MIKGPMHGXMZXAC-UHFFFAOYSA-N 2 2 314.433 3.232 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547278 433265433 /nfs/dbraw/zinc/26/54/33/433265433.db2.gz LWRQQCXUBPXNOB-NHYWBVRUSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547278 433265443 /nfs/dbraw/zinc/26/54/43/433265443.db2.gz LWRQQCXUBPXNOB-NHYWBVRUSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547278 433265453 /nfs/dbraw/zinc/26/54/53/433265453.db2.gz LWRQQCXUBPXNOB-NHYWBVRUSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547278 433265461 /nfs/dbraw/zinc/26/54/61/433265461.db2.gz LWRQQCXUBPXNOB-NHYWBVRUSA-N 2 2 316.367 3.183 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281601134 433317348 /nfs/dbraw/zinc/31/73/48/433317348.db2.gz MEMQKHCMVLVMCC-WMLDXEAASA-N 2 2 301.438 3.052 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281601134 433317358 /nfs/dbraw/zinc/31/73/58/433317358.db2.gz MEMQKHCMVLVMCC-WMLDXEAASA-N 2 2 301.438 3.052 20 0 DGADLP CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000447907104 433317685 /nfs/dbraw/zinc/31/76/85/433317685.db2.gz ZMJFGLWHHFWLAH-SFHVURJKSA-N 2 2 312.461 3.082 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000374962074 433318448 /nfs/dbraw/zinc/31/84/48/433318448.db2.gz JOKGYGTVEOFISV-YSTOQKLRSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000374962074 433318459 /nfs/dbraw/zinc/31/84/59/433318459.db2.gz JOKGYGTVEOFISV-YSTOQKLRSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000374962072 433319469 /nfs/dbraw/zinc/31/94/69/433319469.db2.gz JOKGYGTVEOFISV-YRPNKDGESA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000374962072 433319479 /nfs/dbraw/zinc/31/94/79/433319479.db2.gz JOKGYGTVEOFISV-YRPNKDGESA-N 2 2 321.553 3.161 20 0 DGADLP COC1(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000361603805 433282127 /nfs/dbraw/zinc/28/21/27/433282127.db2.gz RCVSWCSIHVKNFC-MRXNPFEDSA-N 2 2 305.466 3.024 20 0 DGADLP COC1(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000361603805 433282132 /nfs/dbraw/zinc/28/21/32/433282132.db2.gz RCVSWCSIHVKNFC-MRXNPFEDSA-N 2 2 305.466 3.024 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822010 433298370 /nfs/dbraw/zinc/29/83/70/433298370.db2.gz KONDIVXLAXKWAX-DOTOQJQBSA-N 2 2 310.445 3.595 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822010 433298375 /nfs/dbraw/zinc/29/83/75/433298375.db2.gz KONDIVXLAXKWAX-DOTOQJQBSA-N 2 2 310.445 3.595 20 0 DGADLP CC(C)C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833115 433301423 /nfs/dbraw/zinc/30/14/23/433301423.db2.gz OEBLIMRRORKIDP-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833115 433301434 /nfs/dbraw/zinc/30/14/34/433301434.db2.gz OEBLIMRRORKIDP-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833115 433301442 /nfs/dbraw/zinc/30/14/42/433301442.db2.gz OEBLIMRRORKIDP-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341833115 433301451 /nfs/dbraw/zinc/30/14/51/433301451.db2.gz OEBLIMRRORKIDP-HXUWFJFHSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912855 433306157 /nfs/dbraw/zinc/30/61/57/433306157.db2.gz ACQZBFWQXMEGOG-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912855 433306163 /nfs/dbraw/zinc/30/61/63/433306163.db2.gz ACQZBFWQXMEGOG-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916464 433311880 /nfs/dbraw/zinc/31/18/80/433311880.db2.gz OOSUXPOHBSXIPW-QGZVFWFLSA-N 2 2 302.462 3.283 20 0 DGADLP C[C@@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916464 433311891 /nfs/dbraw/zinc/31/18/91/433311891.db2.gz OOSUXPOHBSXIPW-QGZVFWFLSA-N 2 2 302.462 3.283 20 0 DGADLP CC[C@@H](C)C[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894097 433346053 /nfs/dbraw/zinc/34/60/53/433346053.db2.gz JJKFVJCOQXFTIW-MJGOQNOKSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894097 433346058 /nfs/dbraw/zinc/34/60/58/433346058.db2.gz JJKFVJCOQXFTIW-MJGOQNOKSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H](C)C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341894097 433346062 /nfs/dbraw/zinc/34/60/62/433346062.db2.gz JJKFVJCOQXFTIW-MJGOQNOKSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H](C)C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341894097 433346066 /nfs/dbraw/zinc/34/60/66/433346066.db2.gz JJKFVJCOQXFTIW-MJGOQNOKSA-N 2 2 304.478 3.255 20 0 DGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1OCCc2sccc21 ZINC000291772583 433348151 /nfs/dbraw/zinc/34/81/51/433348151.db2.gz TUPPZBLANVUTNV-YVEFUNNKSA-N 2 2 313.426 3.188 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915630 433359295 /nfs/dbraw/zinc/35/92/95/433359295.db2.gz WSKDSCSGDXYQOJ-GGPKGHCWSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915630 433359305 /nfs/dbraw/zinc/35/93/05/433359305.db2.gz WSKDSCSGDXYQOJ-GGPKGHCWSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915630 433359319 /nfs/dbraw/zinc/35/93/19/433359319.db2.gz WSKDSCSGDXYQOJ-GGPKGHCWSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000341915630 433359328 /nfs/dbraw/zinc/35/93/28/433359328.db2.gz WSKDSCSGDXYQOJ-GGPKGHCWSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000299414423 433368757 /nfs/dbraw/zinc/36/87/57/433368757.db2.gz WHLDQUHEVGUIIK-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000299414423 433368769 /nfs/dbraw/zinc/36/87/69/433368769.db2.gz WHLDQUHEVGUIIK-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414423 433368774 /nfs/dbraw/zinc/36/87/74/433368774.db2.gz WHLDQUHEVGUIIK-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414423 433368785 /nfs/dbraw/zinc/36/87/85/433368785.db2.gz WHLDQUHEVGUIIK-APWZRJJASA-N 2 2 324.472 3.149 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)CC(F)(F)F)sc2C1 ZINC000361743709 433370883 /nfs/dbraw/zinc/37/08/83/433370883.db2.gz NBMIVWHRXGWWRD-SNVBAGLBSA-N 2 2 321.412 3.340 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)CC(F)(F)F)sc2C1 ZINC000361743709 433370888 /nfs/dbraw/zinc/37/08/88/433370888.db2.gz NBMIVWHRXGWWRD-SNVBAGLBSA-N 2 2 321.412 3.340 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000339067048 433337344 /nfs/dbraw/zinc/33/73/44/433337344.db2.gz IHEVNZUTFBCYQF-OCCSQVGLSA-N 2 2 303.431 3.120 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000339067048 433337354 /nfs/dbraw/zinc/33/73/54/433337354.db2.gz IHEVNZUTFBCYQF-OCCSQVGLSA-N 2 2 303.431 3.120 20 0 DGADLP CC[C@@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420944071 433337701 /nfs/dbraw/zinc/33/77/01/433337701.db2.gz XSEKKUIEQCMQIR-IBGZPJMESA-N 2 2 302.462 3.141 20 0 DGADLP CC[C@@]1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420944071 433337712 /nfs/dbraw/zinc/33/77/12/433337712.db2.gz XSEKKUIEQCMQIR-IBGZPJMESA-N 2 2 302.462 3.141 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159150 433427267 /nfs/dbraw/zinc/42/72/67/433427267.db2.gz YCSNTLYPDSEPFV-AEFFLSMTSA-N 2 2 324.472 3.002 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159150 433427275 /nfs/dbraw/zinc/42/72/75/433427275.db2.gz YCSNTLYPDSEPFV-AEFFLSMTSA-N 2 2 324.472 3.002 20 0 DGADLP CC[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000354978407 433387917 /nfs/dbraw/zinc/38/79/17/433387917.db2.gz XSSCYZXQCLOUGY-LBPRGKRZSA-N 2 2 301.356 3.371 20 0 DGADLP CC(C)(CNc1cc[nH+]c2cc(Cl)ccc12)[NH+]1CCOCC1 ZINC000301065786 433403164 /nfs/dbraw/zinc/40/31/64/433403164.db2.gz XPQJJVSRNHVSQJ-UHFFFAOYSA-N 2 2 319.836 3.411 20 0 DGADLP COc1cccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)c1 ZINC000301082383 433405877 /nfs/dbraw/zinc/40/58/77/433405877.db2.gz OIWRTLHGTGTVSJ-KRWDZBQOSA-N 2 2 310.401 3.286 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361828758 433407943 /nfs/dbraw/zinc/40/79/43/433407943.db2.gz GVLSGXVSAIGHQP-UHFFFAOYSA-N 3 2 312.461 3.097 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC000426074924 433416456 /nfs/dbraw/zinc/41/64/56/433416456.db2.gz VXSDVDARYMVHIE-IAGOWNOFSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000426074924 433416465 /nfs/dbraw/zinc/41/64/65/433416465.db2.gz VXSDVDARYMVHIE-IAGOWNOFSA-N 2 2 314.473 3.159 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccn(C)n1 ZINC000414143554 433422792 /nfs/dbraw/zinc/42/27/92/433422792.db2.gz NQWKXNNBQFGJNX-LBPRGKRZSA-N 2 2 315.808 3.110 20 0 DGADLP C[N@H+]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301163420 433437744 /nfs/dbraw/zinc/43/77/44/433437744.db2.gz HTZOCHPXVQNJDO-UHFFFAOYSA-N 2 2 320.234 3.139 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301213890 433454701 /nfs/dbraw/zinc/45/47/01/433454701.db2.gz WOKZJOICPWFFJT-OLZOCXBDSA-N 2 2 319.836 3.409 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000414205650 433460759 /nfs/dbraw/zinc/46/07/59/433460759.db2.gz HNEZJWYGGOVGQN-OWZKRDHZSA-N 2 2 324.472 3.188 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000414205650 433460769 /nfs/dbraw/zinc/46/07/69/433460769.db2.gz HNEZJWYGGOVGQN-OWZKRDHZSA-N 2 2 324.472 3.188 20 0 DGADLP CCc1nc(C[NH+]2CCC(CNc3cccc[nH+]3)CC2)cs1 ZINC000301240384 433468251 /nfs/dbraw/zinc/46/82/51/433468251.db2.gz JJMMMYFVFWTMJO-UHFFFAOYSA-N 2 2 316.474 3.425 20 0 DGADLP CC[N@H+](CCNc1nc(-c2ccncc2)[nH+]c(C)c1C)C(C)C ZINC000301247659 433468424 /nfs/dbraw/zinc/46/84/24/433468424.db2.gz IFEDUKLHOOJWOE-UHFFFAOYSA-N 2 2 313.449 3.298 20 0 DGADLP CC[N@@H+](CCNc1nc(-c2ccncc2)[nH+]c(C)c1C)C(C)C ZINC000301247659 433468435 /nfs/dbraw/zinc/46/84/35/433468435.db2.gz IFEDUKLHOOJWOE-UHFFFAOYSA-N 2 2 313.449 3.298 20 0 DGADLP C[N@H+](Cc1ccc(F)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375481246 433475428 /nfs/dbraw/zinc/47/54/28/433475428.db2.gz FCXQYBUYWOWYQU-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[C@H]1CCC(C)(C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420980733 290368624 /nfs/dbraw/zinc/36/86/24/290368624.db2.gz XJKRYBIDFLWOEG-INIZCTEOSA-N 2 2 302.462 3.282 20 0 DGADLP C[C@H]1CCC(C)(C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420980733 290368628 /nfs/dbraw/zinc/36/86/28/290368628.db2.gz XJKRYBIDFLWOEG-INIZCTEOSA-N 2 2 302.462 3.282 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)C(C)C ZINC000414286064 433514107 /nfs/dbraw/zinc/51/41/07/433514107.db2.gz CEDMDRVFHUMPJF-WBAXXEDZSA-N 2 2 301.434 3.318 20 0 DGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472626 433516518 /nfs/dbraw/zinc/51/65/18/433516518.db2.gz BFEPHHIEVVXKRU-NRFANRHFSA-N 2 2 324.468 3.259 20 0 DGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472626 433516527 /nfs/dbraw/zinc/51/65/27/433516527.db2.gz BFEPHHIEVVXKRU-NRFANRHFSA-N 2 2 324.468 3.259 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472626 433516537 /nfs/dbraw/zinc/51/65/37/433516537.db2.gz BFEPHHIEVVXKRU-NRFANRHFSA-N 2 2 324.468 3.259 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472626 433516541 /nfs/dbraw/zinc/51/65/41/433516541.db2.gz BFEPHHIEVVXKRU-NRFANRHFSA-N 2 2 324.468 3.259 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]12 ZINC000351476479 433524018 /nfs/dbraw/zinc/52/40/18/433524018.db2.gz KNYJCXFSFBAUND-HZUKXOBISA-N 2 2 317.433 3.118 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@H]12 ZINC000351476479 433524026 /nfs/dbraw/zinc/52/40/26/433524026.db2.gz KNYJCXFSFBAUND-HZUKXOBISA-N 2 2 317.433 3.118 20 0 DGADLP COc1ccc(F)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000351485313 433526032 /nfs/dbraw/zinc/52/60/32/433526032.db2.gz YPTWFCBXEDOQDG-UHFFFAOYSA-N 2 2 317.408 3.023 20 0 DGADLP C[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)C[NH+]1CCOCC1 ZINC000301382993 433531785 /nfs/dbraw/zinc/53/17/85/433531785.db2.gz TZSPQHRKBQOGKP-ZDUSSCGKSA-N 2 2 319.836 3.268 20 0 DGADLP Cc1ccc(N2CCC([NH2+]CCCc3ccc(C)[nH+]c3)CC2)[nH+]c1 ZINC000351496537 433532295 /nfs/dbraw/zinc/53/22/95/433532295.db2.gz XGVDEUWKEUGBKU-UHFFFAOYSA-N 3 2 324.472 3.285 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355208325 433535639 /nfs/dbraw/zinc/53/56/39/433535639.db2.gz HDMDUGMYFKOLAS-VQIMIIECSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355208325 433535647 /nfs/dbraw/zinc/53/56/47/433535647.db2.gz HDMDUGMYFKOLAS-VQIMIIECSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000355208325 433535653 /nfs/dbraw/zinc/53/56/53/433535653.db2.gz HDMDUGMYFKOLAS-VQIMIIECSA-N 2 2 314.473 3.452 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000355208325 433535665 /nfs/dbraw/zinc/53/56/65/433535665.db2.gz HDMDUGMYFKOLAS-VQIMIIECSA-N 2 2 314.473 3.452 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)nn1C ZINC000282233800 433540009 /nfs/dbraw/zinc/54/00/09/433540009.db2.gz POAPGGFUBJLHIV-AWEZNQCLSA-N 2 2 311.433 3.128 20 0 DGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133750 433489640 /nfs/dbraw/zinc/48/96/40/433489640.db2.gz QSQCSGZLCVNAIM-QZTJIDSGSA-N 2 2 302.462 3.008 20 0 DGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133750 433489649 /nfs/dbraw/zinc/48/96/49/433489649.db2.gz QSQCSGZLCVNAIM-QZTJIDSGSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133750 433489662 /nfs/dbraw/zinc/48/96/62/433489662.db2.gz QSQCSGZLCVNAIM-QZTJIDSGSA-N 2 2 302.462 3.008 20 0 DGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000342133750 433489671 /nfs/dbraw/zinc/48/96/71/433489671.db2.gz QSQCSGZLCVNAIM-QZTJIDSGSA-N 2 2 302.462 3.008 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1O ZINC000426418938 433492305 /nfs/dbraw/zinc/49/23/05/433492305.db2.gz YYMQJIYDPDZSLK-WBVHZDCISA-N 2 2 322.493 3.288 20 0 DGADLP C[NH+](C)[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1cccs1 ZINC000301304170 433498254 /nfs/dbraw/zinc/49/82/54/433498254.db2.gz XESPRHVTCVSIRH-ZDUSSCGKSA-N 2 2 317.462 3.075 20 0 DGADLP Cc1cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nc(C)[nH+]1 ZINC000301310609 433502609 /nfs/dbraw/zinc/50/26/09/433502609.db2.gz ZYXPXRYNTDEWCO-AWEZNQCLSA-N 2 2 306.360 3.086 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375618668 433506108 /nfs/dbraw/zinc/50/61/08/433506108.db2.gz AFVVQDQIRPERRA-LPHOPBHVSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375618668 433506117 /nfs/dbraw/zinc/50/61/17/433506117.db2.gz AFVVQDQIRPERRA-LPHOPBHVSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375618668 433506136 /nfs/dbraw/zinc/50/61/36/433506136.db2.gz AFVVQDQIRPERRA-LPHOPBHVSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCCC1 ZINC000292205963 433508152 /nfs/dbraw/zinc/50/81/52/433508152.db2.gz PTKVNKCHIGBGTG-AZUAARDMSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccccc1[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCCC1 ZINC000292205963 433508163 /nfs/dbraw/zinc/50/81/63/433508163.db2.gz PTKVNKCHIGBGTG-AZUAARDMSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1nc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000351541747 433561375 /nfs/dbraw/zinc/56/13/75/433561375.db2.gz XZJJJJKHTKFTIP-LSDHHAIUSA-N 2 2 320.481 3.416 20 0 DGADLP Cc1nc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000351541747 433561386 /nfs/dbraw/zinc/56/13/86/433561386.db2.gz XZJJJJKHTKFTIP-LSDHHAIUSA-N 2 2 320.481 3.416 20 0 DGADLP Cc1nc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000351541739 433562140 /nfs/dbraw/zinc/56/21/40/433562140.db2.gz XZJJJJKHTKFTIP-GJZGRUSLSA-N 2 2 320.481 3.416 20 0 DGADLP Cc1nc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000351541739 433562146 /nfs/dbraw/zinc/56/21/46/433562146.db2.gz XZJJJJKHTKFTIP-GJZGRUSLSA-N 2 2 320.481 3.416 20 0 DGADLP COc1cccc([C@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)c1 ZINC000301446917 433562269 /nfs/dbraw/zinc/56/22/69/433562269.db2.gz QJBFWQRESQJEAC-KRWDZBQOSA-N 2 2 314.433 3.125 20 0 DGADLP Cc1nc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000351541735 433563305 /nfs/dbraw/zinc/56/33/05/433563305.db2.gz XZJJJJKHTKFTIP-CABCVRRESA-N 2 2 320.481 3.416 20 0 DGADLP Cc1nc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000351541735 433563311 /nfs/dbraw/zinc/56/33/11/433563311.db2.gz XZJJJJKHTKFTIP-CABCVRRESA-N 2 2 320.481 3.416 20 0 DGADLP c1cn(Cc2ccc(NCc3cccc4cccnc43)[nH+]c2)c[nH+]1 ZINC000351550900 433569177 /nfs/dbraw/zinc/56/91/77/433569177.db2.gz QIDPEXZSPOEMHL-UHFFFAOYSA-N 2 2 315.380 3.487 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414365302 433573515 /nfs/dbraw/zinc/57/35/15/433573515.db2.gz OJJFSBWOWAQQOJ-QFBILLFUSA-N 2 2 324.472 3.182 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414365302 433573519 /nfs/dbraw/zinc/57/35/19/433573519.db2.gz OJJFSBWOWAQQOJ-QFBILLFUSA-N 2 2 324.472 3.182 20 0 DGADLP Cc1cnn(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000375803963 433573823 /nfs/dbraw/zinc/57/38/23/433573823.db2.gz FYODAFHJYLISTN-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP CSC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000292511137 433575303 /nfs/dbraw/zinc/57/53/03/433575303.db2.gz VOFLBXCRZPZIFZ-INIZCTEOSA-N 2 2 301.459 3.447 20 0 DGADLP CSC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000292511137 433575313 /nfs/dbraw/zinc/57/53/13/433575313.db2.gz VOFLBXCRZPZIFZ-INIZCTEOSA-N 2 2 301.459 3.447 20 0 DGADLP CCc1nocc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351569525 433584611 /nfs/dbraw/zinc/58/46/11/433584611.db2.gz USRVIXLYWBNOIA-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1nocc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351569525 433584625 /nfs/dbraw/zinc/58/46/25/433584625.db2.gz USRVIXLYWBNOIA-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1nocc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351569525 433584639 /nfs/dbraw/zinc/58/46/39/433584639.db2.gz USRVIXLYWBNOIA-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1nocc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351569525 433584649 /nfs/dbraw/zinc/58/46/49/433584649.db2.gz USRVIXLYWBNOIA-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP c1ccc2c(c1)CC(C[NH2+]C1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000414396167 433590784 /nfs/dbraw/zinc/59/07/84/433590784.db2.gz RURVOQUBALDRPA-UHFFFAOYSA-N 2 2 321.468 3.051 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339447691 433593400 /nfs/dbraw/zinc/59/34/00/433593400.db2.gz RSMLBZJMRHNSDH-CQSZACIVSA-N 2 2 319.371 3.013 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC34CCC4)[nH+]c2)CC1 ZINC000282842317 433636486 /nfs/dbraw/zinc/63/64/86/433636486.db2.gz SVEFTIYXSDEPPX-KRWDZBQOSA-N 2 2 314.477 3.357 20 0 DGADLP Cc1ccc([C@@H](CNc2cc(C)cc[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301626929 433646847 /nfs/dbraw/zinc/64/68/47/433646847.db2.gz GYZYZXLDSKQBFL-GOSISDBHSA-N 2 2 311.429 3.184 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584764 433598982 /nfs/dbraw/zinc/59/89/82/433598982.db2.gz WRYHWJOKFHUOKT-MFKMUULPSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584764 433598990 /nfs/dbraw/zinc/59/89/90/433598990.db2.gz WRYHWJOKFHUOKT-MFKMUULPSA-N 2 2 317.260 3.099 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356526135 433602249 /nfs/dbraw/zinc/60/22/49/433602249.db2.gz MJOHJNRNDNVBKB-ZWKOTPCHSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356526135 433602257 /nfs/dbraw/zinc/60/22/57/433602257.db2.gz MJOHJNRNDNVBKB-ZWKOTPCHSA-N 2 2 300.446 3.356 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000282444519 433608103 /nfs/dbraw/zinc/60/81/03/433608103.db2.gz FBTDYLAOQZQTLF-BTHPGYMESA-N 2 2 316.489 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000282444519 433608112 /nfs/dbraw/zinc/60/81/12/433608112.db2.gz FBTDYLAOQZQTLF-BTHPGYMESA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000301593831 433625457 /nfs/dbraw/zinc/62/54/57/433625457.db2.gz ZETJTQDHTANUGG-HOTGVXAUSA-N 2 2 313.445 3.454 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cnccn1 ZINC000366219693 292925364 /nfs/dbraw/zinc/92/53/64/292925364.db2.gz SPOSNANERPQSCM-HNNXBMFYSA-N 2 2 302.466 3.172 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000301658295 433662123 /nfs/dbraw/zinc/66/21/23/433662123.db2.gz BQGVUIYQXVSQHG-RBUKOAKNSA-N 2 2 322.456 3.276 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000301658295 433662131 /nfs/dbraw/zinc/66/21/31/433662131.db2.gz BQGVUIYQXVSQHG-RBUKOAKNSA-N 2 2 322.456 3.276 20 0 DGADLP Cc1nc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301688914 433677670 /nfs/dbraw/zinc/67/76/70/433677670.db2.gz MVNHUEHKUMHKMU-OAHLLOKOSA-N 2 2 320.387 3.395 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2oc3ccccc3c2C)CCC[NH2+]1 ZINC000423416671 292973263 /nfs/dbraw/zinc/97/32/63/292973263.db2.gz FXYHNLYXEYYNML-KSSFIOAISA-N 2 2 302.418 3.160 20 0 DGADLP COC[C@@]1(C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CCC[NH2+]1 ZINC000423431273 292974088 /nfs/dbraw/zinc/97/40/88/292974088.db2.gz QHSFHJVARPDIDZ-WHOFXGATSA-N 2 2 312.504 3.032 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000449025882 433680648 /nfs/dbraw/zinc/68/06/48/433680648.db2.gz CURRXLCWGWLEHE-QGZVFWFLSA-N 2 2 306.425 3.285 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000449025882 433680661 /nfs/dbraw/zinc/68/06/61/433680661.db2.gz CURRXLCWGWLEHE-QGZVFWFLSA-N 2 2 306.425 3.285 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301716780 433691104 /nfs/dbraw/zinc/69/11/04/433691104.db2.gz NMNAVLMUHMSSFY-GFCCVEGCSA-N 2 2 324.350 3.293 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367057699 293018463 /nfs/dbraw/zinc/01/84/63/293018463.db2.gz MCCMMARHORZOPD-HKUYNNGSSA-N 2 2 301.478 3.429 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC12CCOCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000367090800 293024319 /nfs/dbraw/zinc/02/43/19/293024319.db2.gz CTDDFQUWPSOYLM-CGTJXYLNSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356773466 433693439 /nfs/dbraw/zinc/69/34/39/433693439.db2.gz CPUCFQMAMZLRPT-QFHJOOASSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356773466 433693449 /nfs/dbraw/zinc/69/34/49/433693449.db2.gz CPUCFQMAMZLRPT-QFHJOOASSA-N 2 2 302.462 3.227 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367408082 293068393 /nfs/dbraw/zinc/06/83/93/293068393.db2.gz NUMDOFVYGBGTLV-OAHLLOKOSA-N 2 2 315.392 3.144 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000367440074 293073535 /nfs/dbraw/zinc/07/35/35/293073535.db2.gz ZJINNEDQEBIOGO-LLVKDONJSA-N 2 2 320.824 3.127 20 0 DGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000342435877 433695428 /nfs/dbraw/zinc/69/54/28/433695428.db2.gz XPIBEGSJSWRZAF-INIZCTEOSA-N 2 2 322.456 3.183 20 0 DGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000342435877 433695433 /nfs/dbraw/zinc/69/54/33/433695433.db2.gz XPIBEGSJSWRZAF-INIZCTEOSA-N 2 2 322.456 3.183 20 0 DGADLP COc1ccc2c(c1)OCC[N@@H+](CCCc1c[nH+]ccc1C)C2 ZINC000367681676 293089894 /nfs/dbraw/zinc/08/98/94/293089894.db2.gz DSOOIMILCMPSRX-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP COc1ccc2c(c1)OCC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000367681676 293089896 /nfs/dbraw/zinc/08/98/96/293089896.db2.gz DSOOIMILCMPSRX-UHFFFAOYSA-N 2 2 312.413 3.226 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000482352551 293094454 /nfs/dbraw/zinc/09/44/54/293094454.db2.gz PKBCRCOORJJFKT-WDSOQIARSA-N 2 2 304.478 3.473 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000482352551 293094457 /nfs/dbraw/zinc/09/44/57/293094457.db2.gz PKBCRCOORJJFKT-WDSOQIARSA-N 2 2 304.478 3.473 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279833 433700634 /nfs/dbraw/zinc/70/06/34/433700634.db2.gz XDMJSKJKLPNZIS-CGTJXYLNSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000283279833 433700642 /nfs/dbraw/zinc/70/06/42/433700642.db2.gz XDMJSKJKLPNZIS-CGTJXYLNSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279833 433700650 /nfs/dbraw/zinc/70/06/50/433700650.db2.gz XDMJSKJKLPNZIS-CGTJXYLNSA-N 2 2 322.880 3.444 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000283279833 433700656 /nfs/dbraw/zinc/70/06/56/433700656.db2.gz XDMJSKJKLPNZIS-CGTJXYLNSA-N 2 2 322.880 3.444 20 0 DGADLP Fc1ccc(/C=C/C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000368508406 293128667 /nfs/dbraw/zinc/12/86/67/293128667.db2.gz RQNPIXHFWSYNAE-ONEGZZNKSA-N 2 2 303.356 3.301 20 0 DGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415085259 293140569 /nfs/dbraw/zinc/14/05/69/293140569.db2.gz SEAUXEIWDIZNBL-SWLSCSKDSA-N 2 2 301.459 3.439 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414534897 433699176 /nfs/dbraw/zinc/69/91/76/433699176.db2.gz HEKDMAYUNWYWBM-GOSISDBHSA-N 2 2 302.462 3.460 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414534897 433699182 /nfs/dbraw/zinc/69/91/82/433699182.db2.gz HEKDMAYUNWYWBM-GOSISDBHSA-N 2 2 302.462 3.460 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000374269151 293374415 /nfs/dbraw/zinc/37/44/15/293374415.db2.gz NFVLIPSJIAAVHI-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000374269151 293374418 /nfs/dbraw/zinc/37/44/18/293374418.db2.gz NFVLIPSJIAAVHI-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000374269151 293374423 /nfs/dbraw/zinc/37/44/23/293374423.db2.gz NFVLIPSJIAAVHI-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000374269151 293374425 /nfs/dbraw/zinc/37/44/25/293374425.db2.gz NFVLIPSJIAAVHI-WMZOPIPTSA-N 2 2 318.509 3.171 20 0 DGADLP FC1(F)CCC(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000374370191 293390542 /nfs/dbraw/zinc/39/05/42/293390542.db2.gz BSMJKDUINOAUBC-UHFFFAOYSA-N 2 2 323.431 3.461 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189433 433727519 /nfs/dbraw/zinc/72/75/19/433727519.db2.gz HETYHDNLDHYYBE-IWIFWINISA-N 2 2 306.494 3.329 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189433 433727530 /nfs/dbraw/zinc/72/75/30/433727530.db2.gz HETYHDNLDHYYBE-IWIFWINISA-N 2 2 306.494 3.329 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356843902 433727639 /nfs/dbraw/zinc/72/76/39/433727639.db2.gz HKJFVNSPFRTDJT-CYBMUJFWSA-N 2 2 315.383 3.019 20 0 DGADLP C[C@@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cc(F)cc(F)c1 ZINC000449178987 433730730 /nfs/dbraw/zinc/73/07/30/433730730.db2.gz USWNUWSTPXOMEZ-LRDDRELGSA-N 2 2 314.445 3.095 20 0 DGADLP CC(C)c1cc(N2CC[NH+](CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000301813586 433737926 /nfs/dbraw/zinc/73/79/26/433737926.db2.gz HWEVPETUVMDUBS-UHFFFAOYSA-N 2 2 302.466 3.255 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C(C)C)c(F)c1 ZINC000421797146 433737892 /nfs/dbraw/zinc/73/78/92/433737892.db2.gz AQBQEPYBPPZNHO-QGZVFWFLSA-N 2 2 305.397 3.408 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449451528 433743322 /nfs/dbraw/zinc/74/33/22/433743322.db2.gz RIFQTTCZLYMJDE-NUJGCVRESA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449451528 433743329 /nfs/dbraw/zinc/74/33/29/433743329.db2.gz RIFQTTCZLYMJDE-NUJGCVRESA-N 2 2 304.478 3.036 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351863925 433758239 /nfs/dbraw/zinc/75/82/39/433758239.db2.gz VSKONQKIKQSUJR-JYJNAYRXSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351863925 433758245 /nfs/dbraw/zinc/75/82/45/433758245.db2.gz VSKONQKIKQSUJR-JYJNAYRXSA-N 2 2 317.477 3.115 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449757037 433768289 /nfs/dbraw/zinc/76/82/89/433768289.db2.gz QWUKLSCQEUNAIQ-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449757037 433768299 /nfs/dbraw/zinc/76/82/99/433768299.db2.gz QWUKLSCQEUNAIQ-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCO1 ZINC000449133612 433723246 /nfs/dbraw/zinc/72/32/46/433723246.db2.gz YYOLKIMNYVXRRS-NXWXRZEISA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCO1 ZINC000449133612 433723258 /nfs/dbraw/zinc/72/32/58/433723258.db2.gz YYOLKIMNYVXRRS-NXWXRZEISA-N 2 2 302.462 3.369 20 0 DGADLP CCCCCOc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OC ZINC000414658044 433773200 /nfs/dbraw/zinc/77/32/00/433773200.db2.gz KYEZJALDVOYORY-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCCOc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OC ZINC000414658044 433773209 /nfs/dbraw/zinc/77/32/09/433773209.db2.gz KYEZJALDVOYORY-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1OCC ZINC000414659071 433774292 /nfs/dbraw/zinc/77/42/92/433774292.db2.gz MRKRUYPBARZUIQ-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1OCC ZINC000414659071 433774302 /nfs/dbraw/zinc/77/43/02/433774302.db2.gz MRKRUYPBARZUIQ-MRXNPFEDSA-N 2 2 306.450 3.187 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)C2 ZINC000375266719 293504788 /nfs/dbraw/zinc/50/47/88/293504788.db2.gz GYBQWJBBNGZTOQ-OAHLLOKOSA-N 2 2 301.821 3.130 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000375269549 293505041 /nfs/dbraw/zinc/50/50/41/293505041.db2.gz ZSJGLDCNDUDJQM-ZDUSSCGKSA-N 2 2 316.474 3.406 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@H](COc3ccccc3)C2)[nH+]1 ZINC000356951780 433780844 /nfs/dbraw/zinc/78/08/44/433780844.db2.gz ZXNFCBOLVIMKFW-INIZCTEOSA-N 2 2 307.397 3.235 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](COc3ccccc3)C2)[nH+]1 ZINC000356951780 433780851 /nfs/dbraw/zinc/78/08/51/433780851.db2.gz ZXNFCBOLVIMKFW-INIZCTEOSA-N 2 2 307.397 3.235 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301900232 433784944 /nfs/dbraw/zinc/78/49/44/433784944.db2.gz YWUVCTYVAPSTIV-CQSZACIVSA-N 2 2 313.449 3.279 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301900232 433784949 /nfs/dbraw/zinc/78/49/49/433784949.db2.gz YWUVCTYVAPSTIV-CQSZACIVSA-N 2 2 313.449 3.279 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971940 433791892 /nfs/dbraw/zinc/79/18/92/433791892.db2.gz BRDDQEPVZQKGEG-SJLPKXTDSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971940 433791905 /nfs/dbraw/zinc/79/19/05/433791905.db2.gz BRDDQEPVZQKGEG-SJLPKXTDSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000356971940 433791913 /nfs/dbraw/zinc/79/19/13/433791913.db2.gz BRDDQEPVZQKGEG-SJLPKXTDSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000356971940 433791921 /nfs/dbraw/zinc/79/19/21/433791921.db2.gz BRDDQEPVZQKGEG-SJLPKXTDSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000293582001 433793331 /nfs/dbraw/zinc/79/33/31/433793331.db2.gz HUROEKLMXRJYBB-GOSISDBHSA-N 2 2 313.445 3.067 20 0 DGADLP Cc1[nH+]cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)n1-c1ccccc1 ZINC000449787303 433796916 /nfs/dbraw/zinc/79/69/16/433796916.db2.gz UNRABIKTNOIUDN-SFHVURJKSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1[nH+]cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)n1-c1ccccc1 ZINC000449787303 433796928 /nfs/dbraw/zinc/79/69/28/433796928.db2.gz UNRABIKTNOIUDN-SFHVURJKSA-N 2 2 312.461 3.095 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1[nH+]c2ccc(F)cc2n1C ZINC000431045304 433801961 /nfs/dbraw/zinc/80/19/61/433801961.db2.gz OQZBZBAVTXTYQB-AWEZNQCLSA-N 2 2 318.440 3.201 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1[nH+]c2ccc(F)cc2n1C ZINC000431045304 433801968 /nfs/dbraw/zinc/80/19/68/433801968.db2.gz OQZBZBAVTXTYQB-AWEZNQCLSA-N 2 2 318.440 3.201 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339823350 433804254 /nfs/dbraw/zinc/80/42/54/433804254.db2.gz VKRRVXZPVQULLF-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000339823350 433804260 /nfs/dbraw/zinc/80/42/60/433804260.db2.gz VKRRVXZPVQULLF-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623157 433806193 /nfs/dbraw/zinc/80/61/93/433806193.db2.gz HEVKLRSGOGWMNV-KSZLIROESA-N 2 2 316.445 3.141 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623157 433806198 /nfs/dbraw/zinc/80/61/98/433806198.db2.gz HEVKLRSGOGWMNV-KSZLIROESA-N 2 2 316.445 3.141 20 0 DGADLP Cc1sccc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000293625789 433806277 /nfs/dbraw/zinc/80/62/77/433806277.db2.gz QQHIOAXGRXTXKQ-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000343511338 433809761 /nfs/dbraw/zinc/80/97/61/433809761.db2.gz NOGSAJQRTGAYOV-MDZRGWNJSA-N 2 2 302.462 3.181 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000343511338 433809767 /nfs/dbraw/zinc/80/97/67/433809767.db2.gz NOGSAJQRTGAYOV-MDZRGWNJSA-N 2 2 302.462 3.181 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376757854 433814307 /nfs/dbraw/zinc/81/43/07/433814307.db2.gz JRSJTANMUBXFLU-UHFFFAOYSA-N 2 2 321.428 3.208 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000414756934 433815144 /nfs/dbraw/zinc/81/51/44/433815144.db2.gz RTXRSZWZIQEQGP-GOSISDBHSA-N 2 2 304.478 3.098 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000414756934 433815151 /nfs/dbraw/zinc/81/51/51/433815151.db2.gz RTXRSZWZIQEQGP-GOSISDBHSA-N 2 2 304.478 3.098 20 0 DGADLP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000414760375 433820961 /nfs/dbraw/zinc/82/09/61/433820961.db2.gz YKZBTXCVDRMUPE-CYBMUJFWSA-N 2 2 301.203 3.074 20 0 DGADLP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000414760375 433820971 /nfs/dbraw/zinc/82/09/71/433820971.db2.gz YKZBTXCVDRMUPE-CYBMUJFWSA-N 2 2 301.203 3.074 20 0 DGADLP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587121 433873107 /nfs/dbraw/zinc/87/31/07/433873107.db2.gz RXWFXHABWUEXQV-FGTMMUONSA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587121 433873120 /nfs/dbraw/zinc/87/31/20/433873120.db2.gz RXWFXHABWUEXQV-FGTMMUONSA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587121 433873130 /nfs/dbraw/zinc/87/31/30/433873130.db2.gz RXWFXHABWUEXQV-FGTMMUONSA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCCCC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587121 433873141 /nfs/dbraw/zinc/87/31/41/433873141.db2.gz RXWFXHABWUEXQV-FGTMMUONSA-N 2 2 324.509 3.447 20 0 DGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414839275 433873571 /nfs/dbraw/zinc/87/35/71/433873571.db2.gz FWABJDGLJNJANS-MRXNPFEDSA-N 2 2 312.461 3.011 20 0 DGADLP C[N@H+](CCCCCF)C1CC[NH+](CCc2ccccn2)CC1 ZINC000284266270 433874117 /nfs/dbraw/zinc/87/41/17/433874117.db2.gz XEFXFMVOHAFFNN-UHFFFAOYSA-N 2 2 307.457 3.160 20 0 DGADLP C[N@@H+](CCCCCF)C1CC[NH+](CCc2ccccn2)CC1 ZINC000284266270 433874125 /nfs/dbraw/zinc/87/41/25/433874125.db2.gz XEFXFMVOHAFFNN-UHFFFAOYSA-N 2 2 307.457 3.160 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713242 433829377 /nfs/dbraw/zinc/82/93/77/433829377.db2.gz ZIJJUFPRFUONHQ-LPHOPBHVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713242 433829386 /nfs/dbraw/zinc/82/93/86/433829386.db2.gz ZIJJUFPRFUONHQ-LPHOPBHVSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000293688053 433830850 /nfs/dbraw/zinc/83/08/50/433830850.db2.gz RZUKXRDLFXJZAF-CYBMUJFWSA-N 2 2 312.404 3.128 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000293688053 433830871 /nfs/dbraw/zinc/83/08/71/433830871.db2.gz RZUKXRDLFXJZAF-CYBMUJFWSA-N 2 2 312.404 3.128 20 0 DGADLP C[C@H](CO)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719250 433833049 /nfs/dbraw/zinc/83/30/49/433833049.db2.gz HUOATPUPOBNRSC-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](CO)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000362719250 433833060 /nfs/dbraw/zinc/83/30/60/433833060.db2.gz HUOATPUPOBNRSC-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)s2)cc1 ZINC000414790028 433841527 /nfs/dbraw/zinc/84/15/27/433841527.db2.gz OKQOQRXXRNJJGJ-CJNGLKHVSA-N 2 2 302.418 3.348 20 0 DGADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)s2)cc1 ZINC000414790028 433841535 /nfs/dbraw/zinc/84/15/35/433841535.db2.gz OKQOQRXXRNJJGJ-CJNGLKHVSA-N 2 2 302.418 3.348 20 0 DGADLP COCCOc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414799009 433845221 /nfs/dbraw/zinc/84/52/21/433845221.db2.gz CYRSSDSFFKAHAA-UHFFFAOYSA-N 2 2 320.477 3.114 20 0 DGADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414803288 433846211 /nfs/dbraw/zinc/84/62/11/433846211.db2.gz NNZNEMBCRHVMNM-CRAIPNDOSA-N 3 2 321.896 3.021 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414808152 433848492 /nfs/dbraw/zinc/84/84/92/433848492.db2.gz KJQJAOOSKNODKM-WMZOPIPTSA-N 3 2 303.494 3.147 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414808152 433848496 /nfs/dbraw/zinc/84/84/96/433848496.db2.gz KJQJAOOSKNODKM-WMZOPIPTSA-N 3 2 303.494 3.147 20 0 DGADLP CCOc1cccc(C[NH2+]CC([NH3+])(CC)CC)c1OC(F)F ZINC000414806811 433848841 /nfs/dbraw/zinc/84/88/41/433848841.db2.gz QKQIYQVRHQDEGI-UHFFFAOYSA-N 2 2 316.392 3.294 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414841479 433878024 /nfs/dbraw/zinc/87/80/24/433878024.db2.gz NFHFVOSMRRBWHZ-GOSISDBHSA-N 2 2 313.445 3.220 20 0 DGADLP c1ncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338590 433857714 /nfs/dbraw/zinc/85/77/14/433857714.db2.gz ZGINVPPLPGHDRT-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338590 433857719 /nfs/dbraw/zinc/85/77/19/433857719.db2.gz ZGINVPPLPGHDRT-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338590 433857728 /nfs/dbraw/zinc/85/77/28/433857728.db2.gz ZGINVPPLPGHDRT-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000377338590 433857735 /nfs/dbraw/zinc/85/77/35/433857735.db2.gz ZGINVPPLPGHDRT-SJORKVTESA-N 2 2 313.470 3.097 20 0 DGADLP COc1ccc(C(=O)CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000352016082 433863102 /nfs/dbraw/zinc/86/31/02/433863102.db2.gz UXJMWDFHSYKKIE-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP COc1ccc(C(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000352016082 433863108 /nfs/dbraw/zinc/86/31/08/433863108.db2.gz UXJMWDFHSYKKIE-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP COc1ccc(C(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000352016082 433863118 /nfs/dbraw/zinc/86/31/18/433863118.db2.gz UXJMWDFHSYKKIE-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP COc1ccc(C(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000352016082 433863129 /nfs/dbraw/zinc/86/31/29/433863129.db2.gz UXJMWDFHSYKKIE-KRWDZBQOSA-N 2 2 318.461 3.074 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827859 433866131 /nfs/dbraw/zinc/86/61/31/433866131.db2.gz HYNUEMOHQCKJJJ-KRWDZBQOSA-N 2 2 300.450 3.045 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000414833047 433866778 /nfs/dbraw/zinc/86/67/78/433866778.db2.gz OZWMZINBDDRRDB-INIZCTEOSA-N 2 2 302.805 3.065 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414836635 433871575 /nfs/dbraw/zinc/87/15/75/433871575.db2.gz IQQPKRNVACRANN-NSHDSACASA-N 2 2 303.219 3.051 20 0 DGADLP COc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414888303 433899320 /nfs/dbraw/zinc/89/93/20/433899320.db2.gz FFQBUCNPIHVCHP-QZTJIDSGSA-N 2 2 314.404 3.070 20 0 DGADLP CCC[NH2+]CC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414886452 433900191 /nfs/dbraw/zinc/90/01/91/433900191.db2.gz PYNZNOXPWVSMDT-UHFFFAOYSA-N 2 2 308.429 3.115 20 0 DGADLP COc1cccc2c(N3CC[NH+](Cc4ccco4)CC3)cc[nH+]c12 ZINC000436197726 433903232 /nfs/dbraw/zinc/90/32/32/433903232.db2.gz LIALIZCHUUQRCZ-UHFFFAOYSA-N 2 2 323.396 3.159 20 0 DGADLP COc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414893920 433904591 /nfs/dbraw/zinc/90/45/91/433904591.db2.gz KRVRTUQQTDIAJB-HUUCEWRRSA-N 2 2 320.433 3.131 20 0 DGADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414896074 433906585 /nfs/dbraw/zinc/90/65/85/433906585.db2.gz OCCREADPUDDTJB-HZPDHXFCSA-N 2 2 304.434 3.431 20 0 DGADLP C[NH+](Cc1ccccc1)CC1(C[N@H+](C)Cc2ccccc2)COC1 ZINC000345396420 433911075 /nfs/dbraw/zinc/91/10/75/433911075.db2.gz LKFFGDPDGSRSEF-UHFFFAOYSA-N 2 2 324.468 3.267 20 0 DGADLP C[NH+](Cc1ccccc1)CC1(C[N@@H+](C)Cc2ccccc2)COC1 ZINC000345396420 433911084 /nfs/dbraw/zinc/91/10/84/433911084.db2.gz LKFFGDPDGSRSEF-UHFFFAOYSA-N 2 2 324.468 3.267 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000285057168 433914685 /nfs/dbraw/zinc/91/46/85/433914685.db2.gz ISQYTKNVEJQOCJ-MAUKXSAKSA-N 2 2 300.450 3.217 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000285057168 433914691 /nfs/dbraw/zinc/91/46/91/433914691.db2.gz ISQYTKNVEJQOCJ-MAUKXSAKSA-N 2 2 300.450 3.217 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000414919902 433917826 /nfs/dbraw/zinc/91/78/26/433917826.db2.gz WAZSAFBBKUIOIA-QGZVFWFLSA-N 3 2 321.896 3.036 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414929744 433919436 /nfs/dbraw/zinc/91/94/36/433919436.db2.gz OYQMOYFYIWGEEE-OAHLLOKOSA-N 2 2 316.474 3.073 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cs2)cc1 ZINC000414928401 433921626 /nfs/dbraw/zinc/92/16/26/433921626.db2.gz BBFMNUUFLMSTIZ-UKRRQHHQSA-N 2 2 301.459 3.349 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414933021 433921754 /nfs/dbraw/zinc/92/17/54/433921754.db2.gz TWIDNEHOUAJFIL-GOSISDBHSA-N 2 2 312.461 3.049 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422635681 433935888 /nfs/dbraw/zinc/93/58/88/433935888.db2.gz LXNYYZWDQKACSM-IHRRRGAJSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422635681 433935897 /nfs/dbraw/zinc/93/58/97/433935897.db2.gz LXNYYZWDQKACSM-IHRRRGAJSA-N 2 2 318.440 3.001 20 0 DGADLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3)s2)CCC[NH2+]1 ZINC000414943534 433928772 /nfs/dbraw/zinc/92/87/72/433928772.db2.gz MGCISUFTRGDCSL-GOSISDBHSA-N 2 2 316.470 3.273 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2[nH+]1 ZINC000340118074 433930214 /nfs/dbraw/zinc/93/02/14/433930214.db2.gz ASHJQNURTTZWDL-GXTWGEPZSA-N 2 2 314.433 3.362 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000414942418 433931007 /nfs/dbraw/zinc/93/10/07/433931007.db2.gz DJLIKCRIRIYBOB-KOLCDFICSA-N 2 2 303.233 3.232 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000377623417 433931133 /nfs/dbraw/zinc/93/11/33/433931133.db2.gz JFKCJADYKSELHB-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000377623417 433931139 /nfs/dbraw/zinc/93/11/39/433931139.db2.gz JFKCJADYKSELHB-UHFFFAOYSA-N 2 2 300.377 3.356 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccccc3F)o2)C[C@@H]1C[NH3+] ZINC000422641623 433934163 /nfs/dbraw/zinc/93/41/63/433934163.db2.gz YCOAFXVYCZWGSX-RDBSUJKOSA-N 2 2 317.408 3.286 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3F)o2)C[C@@H]1C[NH3+] ZINC000422641623 433934172 /nfs/dbraw/zinc/93/41/72/433934172.db2.gz YCOAFXVYCZWGSX-RDBSUJKOSA-N 2 2 317.408 3.286 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccnc1 ZINC000436044801 433881963 /nfs/dbraw/zinc/88/19/63/433881963.db2.gz CJGPTSRRROLOHE-CABCVRRESA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccnc1 ZINC000436044801 433881972 /nfs/dbraw/zinc/88/19/72/433881972.db2.gz CJGPTSRRROLOHE-CABCVRRESA-N 2 2 316.474 3.019 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293844715 433892505 /nfs/dbraw/zinc/89/25/05/433892505.db2.gz CGMZXBNNUZFVIT-UKBAYJJMSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293844715 433892513 /nfs/dbraw/zinc/89/25/13/433892513.db2.gz CGMZXBNNUZFVIT-UKBAYJJMSA-N 2 2 324.472 3.389 20 0 DGADLP CCCC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(OC)cc1 ZINC000422701432 433942551 /nfs/dbraw/zinc/94/25/51/433942551.db2.gz BXYJIRPYLGFAFM-WDYCEAGBSA-N 2 2 320.477 3.283 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422713475 433945518 /nfs/dbraw/zinc/94/55/18/433945518.db2.gz JTNQHXDNGQYWLA-OFQRWUPVSA-N 2 2 308.491 3.216 20 0 DGADLP Cc1cccn2c(C[NH2+]C3CCC4(CCOCC4)CC3)c[nH+]c12 ZINC000378045353 293738969 /nfs/dbraw/zinc/73/89/69/293738969.db2.gz NVRQCQSBYAIZSQ-UHFFFAOYSA-N 2 2 313.445 3.472 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000414980009 433954187 /nfs/dbraw/zinc/95/41/87/433954187.db2.gz VYXINEMPLALACE-CYBMUJFWSA-N 2 2 315.230 3.066 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000422728124 433956517 /nfs/dbraw/zinc/95/65/17/433956517.db2.gz FDDQZSYKDVQXDE-LIRRHRJNSA-N 2 2 312.461 3.010 20 0 DGADLP CCc1ccc([C@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000422728124 433956525 /nfs/dbraw/zinc/95/65/25/433956525.db2.gz FDDQZSYKDVQXDE-LIRRHRJNSA-N 2 2 312.461 3.010 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cnn1C ZINC000340176402 433957479 /nfs/dbraw/zinc/95/74/79/433957479.db2.gz XYPIAMZYWHRBSC-YJLNNSPDSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cnn1C ZINC000340176402 433957489 /nfs/dbraw/zinc/95/74/89/433957489.db2.gz XYPIAMZYWHRBSC-YJLNNSPDSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1[nH+]ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c1Cl ZINC000357342073 433959499 /nfs/dbraw/zinc/95/94/99/433959499.db2.gz WNJTXBUPEYCDSX-UHFFFAOYSA-N 2 2 316.836 3.463 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)sc1Br ZINC000285475074 433960629 /nfs/dbraw/zinc/96/06/29/433960629.db2.gz ODJOUZUKBDTYBT-SNVBAGLBSA-N 2 2 314.252 3.366 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c2)[nH+]c1C ZINC000378208058 293763252 /nfs/dbraw/zinc/76/32/52/293763252.db2.gz FKFOIECXSRNTQZ-HNNXBMFYSA-N 2 2 300.406 3.005 20 0 DGADLP Cc1ccc(C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740195 433965410 /nfs/dbraw/zinc/96/54/10/433965410.db2.gz BAAZSOZKHLOMOF-KPFFTGBYSA-N 2 2 309.457 3.404 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000422749897 433970871 /nfs/dbraw/zinc/97/08/71/433970871.db2.gz BKBLJMRFTXAHHW-ZWKOTPCHSA-N 3 2 307.526 3.153 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000415067828 433975637 /nfs/dbraw/zinc/97/56/37/433975637.db2.gz PYHLANZSZOCYKZ-LSTHTHJFSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067828 433975642 /nfs/dbraw/zinc/97/56/42/433975642.db2.gz PYHLANZSZOCYKZ-LSTHTHJFSA-N 3 2 315.505 3.147 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)C1C[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000422754108 433977405 /nfs/dbraw/zinc/97/74/05/433977405.db2.gz DRKCUQYUDVQVCU-HZPDHXFCSA-N 3 2 303.494 3.094 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422764496 433981939 /nfs/dbraw/zinc/98/19/39/433981939.db2.gz VAIBOTJWUOYBFW-IEBWSBKVSA-N 3 2 320.440 3.469 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000422766189 433983006 /nfs/dbraw/zinc/98/30/06/433983006.db2.gz QXOKLEQGDMLTGP-KGLIPLIRSA-N 2 2 315.230 3.338 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000377756460 433983769 /nfs/dbraw/zinc/98/37/69/433983769.db2.gz AWAWHUXQLPPEIL-IPMKNSEASA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000377756460 433983779 /nfs/dbraw/zinc/98/37/79/433983779.db2.gz AWAWHUXQLPPEIL-IPMKNSEASA-N 2 2 324.472 3.108 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955452 433936233 /nfs/dbraw/zinc/93/62/33/433936233.db2.gz UHTCHDHVTCNJCY-CRAIPNDOSA-N 2 2 320.358 3.339 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000422641608 433936798 /nfs/dbraw/zinc/93/67/98/433936798.db2.gz YAZBTQGGSASZEE-GMTAPVOTSA-N 2 2 302.249 3.194 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000422641608 433936804 /nfs/dbraw/zinc/93/68/04/433936804.db2.gz YAZBTQGGSASZEE-GMTAPVOTSA-N 2 2 302.249 3.194 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955457 433936831 /nfs/dbraw/zinc/93/68/31/433936831.db2.gz UHTCHDHVTCNJCY-QAPCUYQASA-N 2 2 320.358 3.339 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[NH2+]1 ZINC000414950999 433936913 /nfs/dbraw/zinc/93/69/13/433936913.db2.gz PKFHLESWKFIENN-BXKDBHETSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414953503 433937036 /nfs/dbraw/zinc/93/70/36/433937036.db2.gz LZOSBQPNVPGVFC-CRAIPNDOSA-N 2 2 320.440 3.256 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422699836 433939203 /nfs/dbraw/zinc/93/92/03/433939203.db2.gz BHOAHEOUQKLVDF-OALUTQOASA-N 2 2 319.468 3.040 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000414962690 433940121 /nfs/dbraw/zinc/94/01/21/433940121.db2.gz ZWGLHKLSAIIIOY-JOYOIKCWSA-N 2 2 317.658 3.333 20 0 DGADLP CSCc1cnc(C[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000293953839 433941279 /nfs/dbraw/zinc/94/12/79/433941279.db2.gz PGVRHMNJFPEWRW-UHFFFAOYSA-N 2 2 310.492 3.033 20 0 DGADLP CSCc1cnc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000293953839 433941284 /nfs/dbraw/zinc/94/12/84/433941284.db2.gz PGVRHMNJFPEWRW-UHFFFAOYSA-N 2 2 310.492 3.033 20 0 DGADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000285703128 434046287 /nfs/dbraw/zinc/04/62/87/434046287.db2.gz PDRJCCSCZYYZDH-KRWDZBQOSA-N 2 2 309.457 3.489 20 0 DGADLP Cc1nc(-c2ccc(CC[NH2+][C@@H]3C[NH2+]CC[C@H]3C)s2)cs1 ZINC000422794045 434004626 /nfs/dbraw/zinc/00/46/26/434004626.db2.gz GDTMIKDVCIHGFY-BXUZGUMPSA-N 2 2 321.515 3.310 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1OC(F)F)CCC2 ZINC000377831264 434007732 /nfs/dbraw/zinc/00/77/32/434007732.db2.gz LIZWJNHLIPGYBR-AWEZNQCLSA-N 2 2 321.371 3.460 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422803239 434016288 /nfs/dbraw/zinc/01/62/88/434016288.db2.gz IQALELTVGBVXFF-MSOLQXFVSA-N 2 2 315.461 3.045 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000340258615 434021976 /nfs/dbraw/zinc/02/19/76/434021976.db2.gz MNEQONATKQIONS-GSEOLPGOSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000340258615 434021983 /nfs/dbraw/zinc/02/19/83/434021983.db2.gz MNEQONATKQIONS-GSEOLPGOSA-N 2 2 316.489 3.180 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000377886719 434030322 /nfs/dbraw/zinc/03/03/22/434030322.db2.gz AGRYBYXJFFCYFM-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000377886719 434030332 /nfs/dbraw/zinc/03/03/32/434030332.db2.gz AGRYBYXJFFCYFM-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C(C)(C)C)c1 ZINC000422829333 434035288 /nfs/dbraw/zinc/03/52/88/434035288.db2.gz BUSIOTRAQALUGV-JQHSSLGASA-N 2 2 304.478 3.439 20 0 DGADLP C[NH+]1CCC(Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450222389 434040848 /nfs/dbraw/zinc/04/08/48/434040848.db2.gz CCZKILTYFCQUOD-UHFFFAOYSA-N 2 2 309.335 3.182 20 0 DGADLP CC(C)[NH+]1CCC(N(C)c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000450237969 434047302 /nfs/dbraw/zinc/04/73/02/434047302.db2.gz SERCMWYXWCMPBK-UHFFFAOYSA-N 2 2 323.444 3.420 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)[nH+]c1 ZINC000422786780 433997503 /nfs/dbraw/zinc/99/75/03/433997503.db2.gz QTSPXAQAXNLDIK-OALUTQOASA-N 3 2 322.456 3.093 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)nc1 ZINC000422786780 433997508 /nfs/dbraw/zinc/99/75/08/433997508.db2.gz QTSPXAQAXNLDIK-OALUTQOASA-N 2 2 322.456 3.093 20 0 DGADLP COc1ccc([C@H]([NH2+]CCOCCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422786551 433997748 /nfs/dbraw/zinc/99/77/48/433997748.db2.gz SMBLDTBXNDTBIO-MOPGFXCFSA-N 2 2 320.477 3.141 20 0 DGADLP C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@H]1CCCC[NH2+]1 ZINC000422787398 433998177 /nfs/dbraw/zinc/99/81/77/433998177.db2.gz QFDIFJNOUXVDIC-WMLDXEAASA-N 2 2 315.486 3.473 20 0 DGADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000285703128 434046278 /nfs/dbraw/zinc/04/62/78/434046278.db2.gz PDRJCCSCZYYZDH-KRWDZBQOSA-N 2 2 309.457 3.489 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340232037 434002333 /nfs/dbraw/zinc/00/23/33/434002333.db2.gz NQRBSCIFJRUOAH-HOTGVXAUSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340232037 434002339 /nfs/dbraw/zinc/00/23/39/434002339.db2.gz NQRBSCIFJRUOAH-HOTGVXAUSA-N 2 2 301.459 3.377 20 0 DGADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccsc2)cc1F ZINC000414951993 293892244 /nfs/dbraw/zinc/89/22/44/293892244.db2.gz QHUQQEPZRNWQAY-CZUORRHYSA-N 2 2 308.397 3.262 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414954956 293893460 /nfs/dbraw/zinc/89/34/60/293893460.db2.gz MCAFGAHRUSYUJC-FQEVSTJZSA-N 2 2 322.452 3.031 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Br)CC[NH2+]1 ZINC000414962694 293896076 /nfs/dbraw/zinc/89/60/76/293896076.db2.gz ZWGLHKLSAIIIOY-SKDRFNHKSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422880789 434075447 /nfs/dbraw/zinc/07/54/47/434075447.db2.gz MURKIPRRVAWYRN-LZQZEXGQSA-N 3 2 301.478 3.030 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422880789 434075458 /nfs/dbraw/zinc/07/54/58/434075458.db2.gz MURKIPRRVAWYRN-LZQZEXGQSA-N 3 2 301.478 3.030 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OCC2CC2)c(F)c1 ZINC000422878599 434075557 /nfs/dbraw/zinc/07/55/57/434075557.db2.gz TXZJONOSIJSKLH-IIYDPXPESA-N 2 2 306.425 3.406 20 0 DGADLP CC1=CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360805 434088195 /nfs/dbraw/zinc/08/81/95/434088195.db2.gz UXIIOUWKYBBCMO-WOJBJXKFSA-N 2 2 313.489 3.064 20 0 DGADLP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340360805 434088202 /nfs/dbraw/zinc/08/82/02/434088202.db2.gz UXIIOUWKYBBCMO-WOJBJXKFSA-N 2 2 313.489 3.064 20 0 DGADLP CSCc1cnc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000294336266 434088971 /nfs/dbraw/zinc/08/89/71/434088971.db2.gz RWRCSJJYFNYSQB-GXTWGEPZSA-N 2 2 322.503 3.286 20 0 DGADLP CSCc1cnc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000294336266 434088982 /nfs/dbraw/zinc/08/89/82/434088982.db2.gz RWRCSJJYFNYSQB-GXTWGEPZSA-N 2 2 322.503 3.286 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422898129 434092764 /nfs/dbraw/zinc/09/27/64/434092764.db2.gz LHPOYYFUSGMDBH-PMACEKPBSA-N 3 2 315.505 3.080 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340384388 434098006 /nfs/dbraw/zinc/09/80/06/434098006.db2.gz OCANURPUTSQPJA-QRFRQXIXSA-N 2 2 324.472 3.223 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340384388 434098011 /nfs/dbraw/zinc/09/80/11/434098011.db2.gz OCANURPUTSQPJA-QRFRQXIXSA-N 2 2 324.472 3.223 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840159 434048143 /nfs/dbraw/zinc/04/81/43/434048143.db2.gz SCXQZBPNHAVDCV-KBAYOESNSA-N 3 2 321.534 3.210 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840159 434048154 /nfs/dbraw/zinc/04/81/54/434048154.db2.gz SCXQZBPNHAVDCV-KBAYOESNSA-N 3 2 321.534 3.210 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000305170971 434052669 /nfs/dbraw/zinc/05/26/69/434052669.db2.gz ZRSXDINSMVBJET-NHYWBVRUSA-N 2 2 317.260 3.101 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)c2ccccc21 ZINC000422856539 434056738 /nfs/dbraw/zinc/05/67/38/434056738.db2.gz GGNSZLNMDJBHSS-OALUTQOASA-N 2 2 321.424 3.048 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858103 434058559 /nfs/dbraw/zinc/05/85/59/434058559.db2.gz IJPIRQJFLREKFZ-VQIMIIECSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858103 434058563 /nfs/dbraw/zinc/05/85/63/434058563.db2.gz IJPIRQJFLREKFZ-VQIMIIECSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422860838 434060823 /nfs/dbraw/zinc/06/08/23/434060823.db2.gz LWRHJJQVEVOURJ-UWJYYQICSA-N 2 2 324.468 3.491 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C(c1cccs1)c1cccs1 ZINC000422922378 434114141 /nfs/dbraw/zinc/11/41/41/434114141.db2.gz QDTQVCYFEHFISE-QWHCGFSZSA-N 2 2 322.499 3.256 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000422908080 434101159 /nfs/dbraw/zinc/10/11/59/434101159.db2.gz XZHXKQDPPGOJFH-IAGOWNOFSA-N 3 2 316.424 3.069 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701268 294092104 /nfs/dbraw/zinc/09/21/04/294092104.db2.gz YDFKZPWOSDMAJK-UXPWSPDFSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701268 294092105 /nfs/dbraw/zinc/09/21/05/294092105.db2.gz YDFKZPWOSDMAJK-UXPWSPDFSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120516 294339978 /nfs/dbraw/zinc/33/99/78/294339978.db2.gz GFHNGOSWKCEBFR-ICSRJNTNSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@H]1[C@@H](C)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120516 294339980 /nfs/dbraw/zinc/33/99/80/294339980.db2.gz GFHNGOSWKCEBFR-ICSRJNTNSA-N 2 2 315.505 3.319 20 0 DGADLP CCc1cccc(F)c1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000353440312 434131178 /nfs/dbraw/zinc/13/11/78/434131178.db2.gz QGXXVYROTXJOCS-OAHLLOKOSA-N 2 2 320.452 3.073 20 0 DGADLP CCc1cccc(F)c1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000353440312 434131190 /nfs/dbraw/zinc/13/11/90/434131190.db2.gz QGXXVYROTXJOCS-OAHLLOKOSA-N 2 2 320.452 3.073 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000509375839 294349232 /nfs/dbraw/zinc/34/92/32/294349232.db2.gz XHDDGUKOINKQOM-QGZVFWFLSA-N 2 2 303.494 3.223 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651433 294359390 /nfs/dbraw/zinc/35/93/90/294359390.db2.gz KNCHQPGOEKCGEY-RBUKOAKNSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509651433 294359393 /nfs/dbraw/zinc/35/93/93/294359393.db2.gz KNCHQPGOEKCGEY-RBUKOAKNSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000509667521 294360960 /nfs/dbraw/zinc/36/09/60/294360960.db2.gz RVYBNCCHPDRLAF-VQIMIIECSA-N 2 2 312.457 3.086 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000510470108 294384529 /nfs/dbraw/zinc/38/45/29/294384529.db2.gz UIBCZXUNEULWCC-NSCUHMNNSA-N 2 2 311.404 3.365 20 0 DGADLP CC[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000510562128 294386407 /nfs/dbraw/zinc/38/64/07/294386407.db2.gz ZRDIHIVCUNGVQV-MSOLQXFVSA-N 2 2 316.489 3.365 20 0 DGADLP CC[C@@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000510562128 294386408 /nfs/dbraw/zinc/38/64/08/294386408.db2.gz ZRDIHIVCUNGVQV-MSOLQXFVSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000510650507 294388865 /nfs/dbraw/zinc/38/88/65/294388865.db2.gz JXMCZWMJZYLMNY-JCGVRSQUSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000510650507 294388866 /nfs/dbraw/zinc/38/88/66/294388866.db2.gz JXMCZWMJZYLMNY-JCGVRSQUSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000510650508 294388901 /nfs/dbraw/zinc/38/89/01/294388901.db2.gz JXMCZWMJZYLMNY-SNUQEOBHSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000510650508 294388903 /nfs/dbraw/zinc/38/89/03/294388903.db2.gz JXMCZWMJZYLMNY-SNUQEOBHSA-N 2 2 308.416 3.358 20 0 DGADLP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340443617 434135644 /nfs/dbraw/zinc/13/56/44/434135644.db2.gz YNZXMYCAXXDFKQ-VQIMIIECSA-N 2 2 313.445 3.471 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422967885 434142614 /nfs/dbraw/zinc/14/26/14/434142614.db2.gz UTWCBUDNHCCVPB-RHSMWYFYSA-N 2 2 303.450 3.023 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)c2ccccc21 ZINC000422970040 434144948 /nfs/dbraw/zinc/14/49/48/434144948.db2.gz FAXBRQKAJQOOIZ-ROUUACIJSA-N 2 2 309.413 3.105 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422971413 434145723 /nfs/dbraw/zinc/14/57/23/434145723.db2.gz IQFXSJOHWDCOOZ-YOEHRIQHSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccncc1F ZINC000340468851 434146100 /nfs/dbraw/zinc/14/61/00/434146100.db2.gz UXKDTNVWKSPQRX-HNNXBMFYSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccncc1F ZINC000340468851 434146108 /nfs/dbraw/zinc/14/61/08/434146108.db2.gz UXKDTNVWKSPQRX-HNNXBMFYSA-N 2 2 313.420 3.320 20 0 DGADLP Cc1ccc(CCCN2CC[NH+](CCC(C)(C)C)CC2)c[nH+]1 ZINC000353461526 434148939 /nfs/dbraw/zinc/14/89/39/434148939.db2.gz RTUFVEIZJRXWJR-UHFFFAOYSA-N 2 2 303.494 3.376 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422973834 434149066 /nfs/dbraw/zinc/14/90/66/434149066.db2.gz PQGFNUJXDQJZSO-ZWKOTPCHSA-N 2 2 311.429 3.495 20 0 DGADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccn1 ZINC000422973799 434149584 /nfs/dbraw/zinc/14/95/84/434149584.db2.gz CUMUNURAXAWVHS-UXLLHSPISA-N 2 2 305.466 3.125 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000422988709 434151887 /nfs/dbraw/zinc/15/18/87/434151887.db2.gz JUTKNTJUUNJTHM-OXHPOLQJSA-N 2 2 316.489 3.244 20 0 DGADLP COCC1CCC([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000294995282 434158106 /nfs/dbraw/zinc/15/81/06/434158106.db2.gz HVWVNMHOHWABKM-IVMQYODDSA-N 2 2 304.478 3.302 20 0 DGADLP COCC1CCC([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000294995282 434158113 /nfs/dbraw/zinc/15/81/13/434158113.db2.gz HVWVNMHOHWABKM-IVMQYODDSA-N 2 2 304.478 3.302 20 0 DGADLP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000340496050 434162241 /nfs/dbraw/zinc/16/22/41/434162241.db2.gz DWMKIIPPPSEMNY-CRAIPNDOSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000340496050 434162252 /nfs/dbraw/zinc/16/22/52/434162252.db2.gz DWMKIIPPPSEMNY-CRAIPNDOSA-N 2 2 300.446 3.376 20 0 DGADLP CCc1cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173005 434168704 /nfs/dbraw/zinc/16/87/04/434168704.db2.gz PCJOULFAMAWTAA-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173005 434168710 /nfs/dbraw/zinc/16/87/10/434168710.db2.gz PCJOULFAMAWTAA-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000346173005 434168718 /nfs/dbraw/zinc/16/87/18/434168718.db2.gz PCJOULFAMAWTAA-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000346173005 434168725 /nfs/dbraw/zinc/16/87/25/434168725.db2.gz PCJOULFAMAWTAA-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2ccccc21 ZINC000423014224 434168774 /nfs/dbraw/zinc/16/87/74/434168774.db2.gz OLGCLXFGBJWRFY-ROUUACIJSA-N 2 2 309.413 3.247 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423030901 434176449 /nfs/dbraw/zinc/17/64/49/434176449.db2.gz KEZRMZBVGTXRHM-VQTJNVASSA-N 2 2 318.424 3.415 20 0 DGADLP Clc1ccc2[nH+]c(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000316017305 434180594 /nfs/dbraw/zinc/18/05/94/434180594.db2.gz GEZSWZFBLUOTNV-JKSUJKDBSA-N 2 2 318.852 3.094 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000340518964 434181128 /nfs/dbraw/zinc/18/11/28/434181128.db2.gz KHYOWFSHDLZYLB-KXBFYZLASA-N 2 2 312.461 3.143 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cn[nH]c1)[N@H+]1CCc2ccccc2C1 ZINC000340518964 434181141 /nfs/dbraw/zinc/18/11/41/434181141.db2.gz KHYOWFSHDLZYLB-KXBFYZLASA-N 2 2 312.461 3.143 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000316206720 434183378 /nfs/dbraw/zinc/18/33/78/434183378.db2.gz MZNZOCXINGHTNN-QZTJIDSGSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353502770 434183811 /nfs/dbraw/zinc/18/38/11/434183811.db2.gz GWUJGYXMJCIBGL-AWEZNQCLSA-N 2 2 308.385 3.075 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048298 434189579 /nfs/dbraw/zinc/18/95/79/434189579.db2.gz IHZVADOGXVTWAW-UUKMXZOPSA-N 3 2 317.521 3.250 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048298 434189588 /nfs/dbraw/zinc/18/95/88/434189588.db2.gz IHZVADOGXVTWAW-UUKMXZOPSA-N 3 2 317.521 3.250 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000423050941 434193234 /nfs/dbraw/zinc/19/32/34/434193234.db2.gz MMUMAVPTKOJCPK-LMMKCTJWSA-N 2 2 316.489 3.244 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@H](C)C3)sc2C1 ZINC000346215085 434205205 /nfs/dbraw/zinc/20/52/05/434205205.db2.gz PJRSRXLXMXUWGG-OKILXGFUSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C)C[C@H](C)C3)sc2C1 ZINC000346215085 434205212 /nfs/dbraw/zinc/20/52/12/434205212.db2.gz PJRSRXLXMXUWGG-OKILXGFUSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)sc2C1 ZINC000346215085 434205222 /nfs/dbraw/zinc/20/52/22/434205222.db2.gz PJRSRXLXMXUWGG-OKILXGFUSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)sc2C1 ZINC000346215085 434205231 /nfs/dbraw/zinc/20/52/31/434205231.db2.gz PJRSRXLXMXUWGG-OKILXGFUSA-N 2 2 307.507 3.388 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]1 ZINC000423079075 434206705 /nfs/dbraw/zinc/20/67/05/434206705.db2.gz PYCSUQUCGKKLNW-XGUBFFRZSA-N 2 2 307.486 3.280 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC000423085250 434207693 /nfs/dbraw/zinc/20/76/93/434207693.db2.gz JOCHVGLNALGDOB-GUBZILKMSA-N 2 2 307.385 3.201 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)CC3 ZINC000437097494 434214402 /nfs/dbraw/zinc/21/44/02/434214402.db2.gz VFNVIENVPQBRFS-HNNXBMFYSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000364047079 434217031 /nfs/dbraw/zinc/21/70/31/434217031.db2.gz YGPHQHDZEFHVRS-MRXNPFEDSA-N 2 2 313.449 3.162 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000353550892 434218951 /nfs/dbraw/zinc/21/89/51/434218951.db2.gz JGVYTAOTNXMGRW-CVEARBPZSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000353550892 434218958 /nfs/dbraw/zinc/21/89/58/434218958.db2.gz JGVYTAOTNXMGRW-CVEARBPZSA-N 2 2 320.477 3.217 20 0 DGADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cccnc1 ZINC000363854041 434167058 /nfs/dbraw/zinc/16/70/58/434167058.db2.gz LPXRUHURAWMNMK-QGZVFWFLSA-N 2 2 307.401 3.293 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423150651 434246990 /nfs/dbraw/zinc/24/69/90/434246990.db2.gz BPFJTZWGKALPPX-DOMZBBRYSA-N 2 2 323.362 3.149 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000295189027 434248581 /nfs/dbraw/zinc/24/85/81/434248581.db2.gz XALPGZZTWWHAMU-UHFFFAOYSA-N 2 2 306.413 3.335 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423150653 434249705 /nfs/dbraw/zinc/24/97/05/434249705.db2.gz BPFJTZWGKALPPX-SWLSCSKDSA-N 2 2 323.362 3.149 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000423155694 434251302 /nfs/dbraw/zinc/25/13/02/434251302.db2.gz JXEWAEBEYNYJLB-KBPBESRZSA-N 2 2 307.319 3.335 20 0 DGADLP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccco2)cc1 ZINC000423160132 434259424 /nfs/dbraw/zinc/25/94/24/434259424.db2.gz GZKYOCILPLRBRV-IEBWDACRSA-N 2 2 312.413 3.250 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423181077 434266782 /nfs/dbraw/zinc/26/67/82/434266782.db2.gz FICJPBZSQGPUAR-CJNGLKHVSA-N 2 2 315.486 3.445 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(CCC[NH+](C)C)CC2)c[nH+]1 ZINC000353618247 434275468 /nfs/dbraw/zinc/27/54/68/434275468.db2.gz ATUKAVGCMWINHH-UHFFFAOYSA-N 3 2 303.494 3.376 20 0 DGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457532111 434223581 /nfs/dbraw/zinc/22/35/81/434223581.db2.gz RQHYHVCTZNEWKG-UHFFFAOYSA-N 2 2 324.428 3.280 20 0 DGADLP CCOC[C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002558 434278860 /nfs/dbraw/zinc/27/88/60/434278860.db2.gz GNTYRWJRBKPWMX-QFBILLFUSA-N 2 2 304.478 3.084 20 0 DGADLP CCOC[C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002558 434278863 /nfs/dbraw/zinc/27/88/63/434278863.db2.gz GNTYRWJRBKPWMX-QFBILLFUSA-N 2 2 304.478 3.084 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000358010421 434287859 /nfs/dbraw/zinc/28/78/59/434287859.db2.gz XFZPNYWKPDBSTO-HOCLYGCPSA-N 2 2 318.461 3.371 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000358010421 434287867 /nfs/dbraw/zinc/28/78/67/434287867.db2.gz XFZPNYWKPDBSTO-HOCLYGCPSA-N 2 2 318.461 3.371 20 0 DGADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2Nc1ccc2c(c1)CC[NH2+]2 ZINC000423221503 434293230 /nfs/dbraw/zinc/29/32/30/434293230.db2.gz WWFHYCUYEWPKQE-AZUAARDMSA-N 2 2 321.424 3.322 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423233036 434297672 /nfs/dbraw/zinc/29/76/72/434297672.db2.gz DCKOPDLJTONRSW-SUMWQHHRSA-N 2 2 301.409 3.242 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000423232252 434299028 /nfs/dbraw/zinc/29/90/28/434299028.db2.gz HZBFUKYOBGBZIZ-NVXWUHKLSA-N 2 2 312.461 3.200 20 0 DGADLP Cc1cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cs1 ZINC000423229482 434301502 /nfs/dbraw/zinc/30/15/02/434301502.db2.gz HEQHXYUWTZNUSG-CYBMUJFWSA-N 2 2 302.447 3.034 20 0 DGADLP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000386109307 434301976 /nfs/dbraw/zinc/30/19/76/434301976.db2.gz AKXQDZWBPGYFQA-KXBFYZLASA-N 2 2 313.445 3.464 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000348398634 434302271 /nfs/dbraw/zinc/30/22/71/434302271.db2.gz CEUVWKBRHMBODQ-CYBMUJFWSA-N 2 2 302.422 3.354 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(Cl)cc1 ZINC000423240862 434305176 /nfs/dbraw/zinc/30/51/76/434305176.db2.gz XPBXCRYTDDLRGC-CYBMUJFWSA-N 2 2 316.836 3.318 20 0 DGADLP CSC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423234157 434306825 /nfs/dbraw/zinc/30/68/25/434306825.db2.gz LDNHLMGHZJFUFD-ZIAGYGMSSA-N 2 2 318.408 3.451 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000423241335 434308164 /nfs/dbraw/zinc/30/81/64/434308164.db2.gz HSUMILGAUZLOAP-CYBMUJFWSA-N 2 2 303.219 3.238 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(OC)c1 ZINC000423248263 434309047 /nfs/dbraw/zinc/30/90/47/434309047.db2.gz RISWOYGRLPRDDZ-DYVFJYSZSA-N 2 2 300.402 3.054 20 0 DGADLP COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000353654897 434308985 /nfs/dbraw/zinc/30/89/85/434308985.db2.gz WCIFCESLZZULPO-LJQANCHMSA-N 2 2 324.424 3.095 20 0 DGADLP COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000353654897 434308998 /nfs/dbraw/zinc/30/89/98/434308998.db2.gz WCIFCESLZZULPO-LJQANCHMSA-N 2 2 324.424 3.095 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Br)s1)[C@H]1CCCC[NH2+]1 ZINC000386574174 434312737 /nfs/dbraw/zinc/31/27/37/434312737.db2.gz MQQHWWGITNZJHO-GXSJLCMTSA-N 2 2 303.269 3.131 20 0 DGADLP COC(=O)C1([N@H+](C)CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000353663036 434318011 /nfs/dbraw/zinc/31/80/11/434318011.db2.gz SWYPPDDPMDSJFB-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP COC(=O)C1([N@@H+](C)CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000353663036 434318025 /nfs/dbraw/zinc/31/80/25/434318025.db2.gz SWYPPDDPMDSJFB-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CCC2 ZINC000423257653 434318300 /nfs/dbraw/zinc/31/83/00/434318300.db2.gz AAAZSBSNZZUJEW-KBPBESRZSA-N 2 2 322.449 3.105 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058832 434319121 /nfs/dbraw/zinc/31/91/21/434319121.db2.gz RGJFYCDKOGRTTG-AAEUAGOBSA-N 2 2 314.351 3.473 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058832 434319125 /nfs/dbraw/zinc/31/91/25/434319125.db2.gz RGJFYCDKOGRTTG-AAEUAGOBSA-N 2 2 314.351 3.473 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423258293 434321003 /nfs/dbraw/zinc/32/10/03/434321003.db2.gz BFZHBXUULBWKTG-BLLLJJGKSA-N 2 2 324.440 3.401 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423262216 434322310 /nfs/dbraw/zinc/32/23/10/434322310.db2.gz MAPBOTQTSAAXKC-LWYYNNOASA-N 3 2 315.505 3.145 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262216 434322314 /nfs/dbraw/zinc/32/23/14/434322314.db2.gz MAPBOTQTSAAXKC-LWYYNNOASA-N 3 2 315.505 3.145 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423266044 434322682 /nfs/dbraw/zinc/32/26/82/434322682.db2.gz RQUZEVHLKIZXPG-DGCLKSJQSA-N 2 2 308.857 3.251 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000387488842 434323350 /nfs/dbraw/zinc/32/33/50/434323350.db2.gz WMBDFRXNLQKRFA-OTWHNJEPSA-N 2 2 302.462 3.371 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423266045 434325602 /nfs/dbraw/zinc/32/56/02/434325602.db2.gz RQUZEVHLKIZXPG-WCQYABFASA-N 2 2 308.857 3.251 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000353676309 434327040 /nfs/dbraw/zinc/32/70/40/434327040.db2.gz XCXPBHBQDYGLCD-IUODEOHRSA-N 2 2 305.372 3.087 20 0 DGADLP COC(=O)c1csc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000423274139 434328720 /nfs/dbraw/zinc/32/87/20/434328720.db2.gz KBBPONPGBDNDNC-CYBMUJFWSA-N 2 2 324.490 3.498 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423273107 434329328 /nfs/dbraw/zinc/32/93/28/434329328.db2.gz ZVMOLLKBTRRZTA-CMPLNLGQSA-N 2 2 304.356 3.451 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000423269498 434329782 /nfs/dbraw/zinc/32/97/82/434329782.db2.gz GZFLNUQAMXJWCG-SCLBCKFNSA-N 2 2 301.409 3.064 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)s1 ZINC000366219599 434362149 /nfs/dbraw/zinc/36/21/49/434362149.db2.gz RSEQYNWBNQQJSP-XQQFMLRXSA-N 2 2 314.882 3.305 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)s1 ZINC000366219599 434362163 /nfs/dbraw/zinc/36/21/63/434362163.db2.gz RSEQYNWBNQQJSP-XQQFMLRXSA-N 2 2 314.882 3.305 20 0 DGADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423330800 434365039 /nfs/dbraw/zinc/36/50/39/434365039.db2.gz GIGWGHILHVEXOV-YVEFUNNKSA-N 2 2 320.868 3.267 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccco2)cc1 ZINC000423326704 434366646 /nfs/dbraw/zinc/36/66/46/434366646.db2.gz JQHIQGSGIISROU-JQFCIGGWSA-N 2 2 300.402 3.085 20 0 DGADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C[NH3+])s2)cc1 ZINC000423341491 434368718 /nfs/dbraw/zinc/36/87/18/434368718.db2.gz XWSCOCMXPAWPDO-MNOVXSKESA-N 2 2 305.447 3.125 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000366251066 434369309 /nfs/dbraw/zinc/36/93/09/434369309.db2.gz VBDRXGRUBCVXIP-XLIONFOSSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000366251066 434369320 /nfs/dbraw/zinc/36/93/20/434369320.db2.gz VBDRXGRUBCVXIP-XLIONFOSSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccnn2C(C)C)[nH+]1 ZINC000366245766 434372779 /nfs/dbraw/zinc/37/27/79/434372779.db2.gz IAWQNUNWLIUMMI-MRXNPFEDSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)[nH+]1 ZINC000366245766 434372787 /nfs/dbraw/zinc/37/27/87/434372787.db2.gz IAWQNUNWLIUMMI-MRXNPFEDSA-N 2 2 313.449 3.244 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000450734841 434374753 /nfs/dbraw/zinc/37/47/53/434374753.db2.gz DJDDHNWLWIGENO-JZXOWHBKSA-N 2 2 302.462 3.404 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000450734841 434374762 /nfs/dbraw/zinc/37/47/62/434374762.db2.gz DJDDHNWLWIGENO-JZXOWHBKSA-N 2 2 302.462 3.404 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccccc2)cc1 ZINC000423343926 434375429 /nfs/dbraw/zinc/37/54/29/434375429.db2.gz WNIQLDVXUIBMQT-XPGWFJOJSA-N 2 2 310.441 3.492 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423358585 434379466 /nfs/dbraw/zinc/37/94/66/434379466.db2.gz BVSQTEWWUMIJMV-SDBXPKJASA-N 2 2 317.658 3.490 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H](C)[NH3+] ZINC000423366999 434384474 /nfs/dbraw/zinc/38/44/74/434384474.db2.gz YBYVETYUVGVTCX-SUMWQHHRSA-N 2 2 313.401 3.432 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423370425 434385906 /nfs/dbraw/zinc/38/59/06/434385906.db2.gz DGDLLNPLCPDYNJ-NEPJUHHUSA-N 2 2 304.356 3.276 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000358214373 434385780 /nfs/dbraw/zinc/38/57/80/434385780.db2.gz CDGOUIXYDAISQG-RNIPGJKVSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000358214373 434385789 /nfs/dbraw/zinc/38/57/89/434385789.db2.gz CDGOUIXYDAISQG-RNIPGJKVSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747630 434387627 /nfs/dbraw/zinc/38/76/27/434387627.db2.gz PNUBANJPSOOLFZ-VQIMIIECSA-N 2 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747630 434387636 /nfs/dbraw/zinc/38/76/36/434387636.db2.gz PNUBANJPSOOLFZ-VQIMIIECSA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747630 434387640 /nfs/dbraw/zinc/38/76/40/434387640.db2.gz PNUBANJPSOOLFZ-VQIMIIECSA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000353747630 434387654 /nfs/dbraw/zinc/38/76/54/434387654.db2.gz PNUBANJPSOOLFZ-VQIMIIECSA-N 2 2 312.461 3.177 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000423374007 434389191 /nfs/dbraw/zinc/38/91/91/434389191.db2.gz CDCPWBAUAJIISY-BXUZGUMPSA-N 2 2 311.857 3.172 20 0 DGADLP C[C@@H]1[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000340852478 434390057 /nfs/dbraw/zinc/39/00/57/434390057.db2.gz XWFQWNXQLRVMBI-CZUORRHYSA-N 2 2 307.401 3.033 20 0 DGADLP C[C@@H]1[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000340852478 434390066 /nfs/dbraw/zinc/39/00/66/434390066.db2.gz XWFQWNXQLRVMBI-CZUORRHYSA-N 2 2 307.401 3.033 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423289044 434345024 /nfs/dbraw/zinc/34/50/24/434345024.db2.gz VXPYLNCUKQWSAV-GUDVDZBRSA-N 3 2 315.505 3.004 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423289044 434345037 /nfs/dbraw/zinc/34/50/37/434345037.db2.gz VXPYLNCUKQWSAV-GUDVDZBRSA-N 3 2 315.505 3.004 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225509 434347396 /nfs/dbraw/zinc/34/73/96/434347396.db2.gz GXGFXVUISBCZRR-JQWIXIFHSA-N 2 2 315.230 3.333 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225509 434347403 /nfs/dbraw/zinc/34/74/03/434347403.db2.gz GXGFXVUISBCZRR-JQWIXIFHSA-N 2 2 315.230 3.333 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000366162674 434349491 /nfs/dbraw/zinc/34/94/91/434349491.db2.gz IBEFTCWCOLRPQD-MJGOQNOKSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000366162674 434349499 /nfs/dbraw/zinc/34/94/99/434349499.db2.gz IBEFTCWCOLRPQD-MJGOQNOKSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000366162674 434349505 /nfs/dbraw/zinc/34/95/05/434349505.db2.gz IBEFTCWCOLRPQD-MJGOQNOKSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000366162674 434349510 /nfs/dbraw/zinc/34/95/10/434349510.db2.gz IBEFTCWCOLRPQD-MJGOQNOKSA-N 2 2 302.462 3.243 20 0 DGADLP FC(F)Oc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423298804 434350337 /nfs/dbraw/zinc/35/03/37/434350337.db2.gz AOGQVQMWCVDRIT-QGZVFWFLSA-N 2 2 318.367 3.186 20 0 DGADLP CC(C)C[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358154160 434351849 /nfs/dbraw/zinc/35/18/49/434351849.db2.gz NDNYCSCBKYZMFF-HKUYNNGSSA-N 2 2 304.478 3.474 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000423308011 434353577 /nfs/dbraw/zinc/35/35/77/434353577.db2.gz INWVFOWHRWGADH-LBPRGKRZSA-N 2 2 304.463 3.164 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423313851 434354994 /nfs/dbraw/zinc/35/49/94/434354994.db2.gz VCODNAHDMDQZHL-CQSZACIVSA-N 2 2 315.230 3.165 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)CCC2 ZINC000366207513 434356001 /nfs/dbraw/zinc/35/60/01/434356001.db2.gz CDGLMXMWQAOIFV-CZUORRHYSA-N 2 2 301.409 3.429 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)CCC2 ZINC000366207512 434356506 /nfs/dbraw/zinc/35/65/06/434356506.db2.gz CDGLMXMWQAOIFV-CJNGLKHVSA-N 2 2 301.409 3.429 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000423323455 434358406 /nfs/dbraw/zinc/35/84/06/434358406.db2.gz HLDJCWAIZUSHLD-JLSDUUJJSA-N 2 2 314.429 3.393 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCN(c3ccccc3)CC1)CCC2 ZINC000366209926 434358639 /nfs/dbraw/zinc/35/86/39/434358639.db2.gz MDKZNORIYFGFAW-KRWDZBQOSA-N 2 2 324.472 3.328 20 0 DGADLP C[C@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CCC[NH2+]C1 ZINC000423324673 434360305 /nfs/dbraw/zinc/36/03/05/434360305.db2.gz BDSPOAGQXBOXED-OALUTQOASA-N 2 2 313.420 3.289 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000390582537 434360701 /nfs/dbraw/zinc/36/07/01/434360701.db2.gz JMVHQXBXDAVJRS-WBVHZDCISA-N 2 2 304.478 3.443 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390582537 434360707 /nfs/dbraw/zinc/36/07/07/434360707.db2.gz JMVHQXBXDAVJRS-WBVHZDCISA-N 2 2 304.478 3.443 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000397813210 434445667 /nfs/dbraw/zinc/44/56/67/434445667.db2.gz ZLENZHRPHOSQRP-AWEZNQCLSA-N 2 2 309.251 3.120 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000348691687 434447130 /nfs/dbraw/zinc/44/71/30/434447130.db2.gz CURVJETWHQMAPS-LULLPPNCSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000348691687 434447136 /nfs/dbraw/zinc/44/71/36/434447136.db2.gz CURVJETWHQMAPS-LULLPPNCSA-N 2 2 302.462 3.105 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000287548144 434392642 /nfs/dbraw/zinc/39/26/42/434392642.db2.gz OQAKPGDUTZWBEV-INIZCTEOSA-N 2 2 316.449 3.038 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423381420 434397973 /nfs/dbraw/zinc/39/79/73/434397973.db2.gz FORSERXXRPYMPW-DYVFJYSZSA-N 2 2 303.837 3.216 20 0 DGADLP CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000519693428 294786364 /nfs/dbraw/zinc/78/63/64/294786364.db2.gz PSDVBGQNMJKMLP-OWCLPIDISA-N 2 2 319.497 3.137 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104811 434406203 /nfs/dbraw/zinc/40/62/03/434406203.db2.gz MMSBTRWZTPLKMO-OAHLLOKOSA-N 2 2 312.392 3.477 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104811 434406214 /nfs/dbraw/zinc/40/62/14/434406214.db2.gz MMSBTRWZTPLKMO-OAHLLOKOSA-N 2 2 312.392 3.477 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423401429 434406597 /nfs/dbraw/zinc/40/65/97/434406597.db2.gz XQEHHLBHDMVOOR-CRAIPNDOSA-N 2 2 320.477 3.141 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000423405670 434408318 /nfs/dbraw/zinc/40/83/18/434408318.db2.gz YGENVFDMQPTNRV-VKJFTORMSA-N 2 2 317.383 3.309 20 0 DGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340881707 434409612 /nfs/dbraw/zinc/40/96/12/434409612.db2.gz KZZPNVRGGANTGL-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340881707 434409624 /nfs/dbraw/zinc/40/96/24/434409624.db2.gz KZZPNVRGGANTGL-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc2nc(C[NH2+]CCC[NH+]3CCCCC3)sc2c1 ZINC000353757958 434410263 /nfs/dbraw/zinc/41/02/63/434410263.db2.gz JKVRZMKMFCZUJV-UHFFFAOYSA-N 2 2 319.474 3.271 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)CCC[NH2+]1 ZINC000423413614 434413019 /nfs/dbraw/zinc/41/30/19/434413019.db2.gz LAWVNYARNBJTLE-SUMWQHHRSA-N 2 2 308.491 3.046 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2C)CC[C@H]1[NH3+] ZINC000395128377 434413894 /nfs/dbraw/zinc/41/38/94/434413894.db2.gz PNBWUFCKFQLXNY-IUODEOHRSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C)CC[C@H]1[NH3+] ZINC000395128377 434413899 /nfs/dbraw/zinc/41/38/99/434413899.db2.gz PNBWUFCKFQLXNY-IUODEOHRSA-N 2 2 311.267 3.317 20 0 DGADLP COC[C@]1(C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)CCC[NH2+]1 ZINC000423418970 434413893 /nfs/dbraw/zinc/41/38/93/434413893.db2.gz VKUAWRHGOPFBJZ-DLBZAZTESA-N 2 2 312.404 3.020 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329443867 434413976 /nfs/dbraw/zinc/41/39/76/434413976.db2.gz CBFZJIRSWWYUTC-PMPSAXMXSA-N 2 2 310.445 3.286 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329443867 434413986 /nfs/dbraw/zinc/41/39/86/434413986.db2.gz CBFZJIRSWWYUTC-PMPSAXMXSA-N 2 2 310.445 3.286 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Br)cs1)[C@H]1CCCC[NH2+]1 ZINC000395126897 434414511 /nfs/dbraw/zinc/41/45/11/434414511.db2.gz OJPKRFVLJYQHFS-JOYOIKCWSA-N 2 2 303.269 3.131 20 0 DGADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423737 434416135 /nfs/dbraw/zinc/41/61/35/434416135.db2.gz DZTYXMKLBWHTIU-HEQLZXTPSA-N 2 2 313.228 3.015 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438111920 434416814 /nfs/dbraw/zinc/41/68/14/434416814.db2.gz CQNUROJUEVFMJO-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438111920 434416823 /nfs/dbraw/zinc/41/68/23/434416823.db2.gz CQNUROJUEVFMJO-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287633336 434417710 /nfs/dbraw/zinc/41/77/10/434417710.db2.gz VCNITFCRQQAENY-QGZVFWFLSA-N 2 2 324.428 3.094 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287633336 434417714 /nfs/dbraw/zinc/41/77/14/434417714.db2.gz VCNITFCRQQAENY-QGZVFWFLSA-N 2 2 324.428 3.094 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000353779542 434424934 /nfs/dbraw/zinc/42/49/34/434424934.db2.gz IATDOOJFCYXSDN-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000353779542 434424942 /nfs/dbraw/zinc/42/49/42/434424942.db2.gz IATDOOJFCYXSDN-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000348641961 434430078 /nfs/dbraw/zinc/43/00/78/434430078.db2.gz MRQVSZWELWMXHQ-FCEWJHQRSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000348641961 434430088 /nfs/dbraw/zinc/43/00/88/434430088.db2.gz MRQVSZWELWMXHQ-FCEWJHQRSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423465723 434435162 /nfs/dbraw/zinc/43/51/62/434435162.db2.gz NASSKIJDRFCVEI-FZMZJTMJSA-N 2 2 315.230 3.366 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423497240 434459101 /nfs/dbraw/zinc/45/91/01/434459101.db2.gz YNGOZGROSMBFNB-CABCVRRESA-N 2 2 316.445 3.333 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423497212 434459977 /nfs/dbraw/zinc/45/99/77/434459977.db2.gz GFTWSHPBRRINTH-VBSBHUPXSA-N 2 2 316.489 3.434 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000423498797 434461321 /nfs/dbraw/zinc/46/13/21/434461321.db2.gz CELPPVUKCYJKKX-YGRLFVJLSA-N 2 2 303.233 3.023 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000359995025 434466989 /nfs/dbraw/zinc/46/69/89/434466989.db2.gz RFRVPSVZTDDKBW-QGZVFWFLSA-N 2 2 322.456 3.176 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423518114 434469591 /nfs/dbraw/zinc/46/95/91/434469591.db2.gz IFTGJAXUMCYAIY-HNAYVOBHSA-N 2 2 312.413 3.118 20 0 DGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)oc2cc1C ZINC000423521452 434472802 /nfs/dbraw/zinc/47/28/02/434472802.db2.gz QSLQXQWYBJZTNC-HOCLYGCPSA-N 2 2 302.418 3.079 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(OC)cc1 ZINC000423526750 434475724 /nfs/dbraw/zinc/47/57/24/434475724.db2.gz LNHBDEJELYRFRH-SLFFLAALSA-N 2 2 310.441 3.492 20 0 DGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423526152 434477267 /nfs/dbraw/zinc/47/72/67/434477267.db2.gz UYGNXVCJAUKDJL-MAUKXSAKSA-N 2 2 315.461 3.013 20 0 DGADLP Cc1cccc(CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000399803515 434482082 /nfs/dbraw/zinc/48/20/82/434482082.db2.gz CXLHMNASLPLDNZ-UHFFFAOYSA-N 2 2 311.473 3.433 20 0 DGADLP Cc1cccc(CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000399803515 434482088 /nfs/dbraw/zinc/48/20/88/434482088.db2.gz CXLHMNASLPLDNZ-UHFFFAOYSA-N 2 2 311.473 3.433 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423546408 434486021 /nfs/dbraw/zinc/48/60/21/434486021.db2.gz DEMWUZLKHQLSGC-UKRRQHHQSA-N 2 2 310.397 3.225 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000360045346 434490726 /nfs/dbraw/zinc/49/07/26/434490726.db2.gz KIOZIFARNIGLSH-DJIMGWMZSA-N 2 2 309.523 3.061 20 0 DGADLP Cc1c[nH+]c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC000341017182 434491135 /nfs/dbraw/zinc/49/11/35/434491135.db2.gz IIAZDARMQTVCJW-YQQQUEKLSA-N 2 2 324.472 3.014 20 0 DGADLP Cc1c[nH+]c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC000341017182 434491146 /nfs/dbraw/zinc/49/11/46/434491146.db2.gz IIAZDARMQTVCJW-YQQQUEKLSA-N 2 2 324.472 3.014 20 0 DGADLP Cc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC000341017182 434491153 /nfs/dbraw/zinc/49/11/53/434491153.db2.gz IIAZDARMQTVCJW-YQQQUEKLSA-N 2 2 324.472 3.014 20 0 DGADLP Cc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC000341017182 434491161 /nfs/dbraw/zinc/49/11/61/434491161.db2.gz IIAZDARMQTVCJW-YQQQUEKLSA-N 2 2 324.472 3.014 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)C ZINC000360045980 434491552 /nfs/dbraw/zinc/49/15/52/434491552.db2.gz NUVFYTOTHJWGDG-RTBURBONSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360045980 434491557 /nfs/dbraw/zinc/49/15/57/434491557.db2.gz NUVFYTOTHJWGDG-RTBURBONSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)on1 ZINC000348785959 434494909 /nfs/dbraw/zinc/49/49/09/434494909.db2.gz SECRISVHKFECJB-MAUKXSAKSA-N 2 2 313.445 3.026 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)on1 ZINC000348785959 434494919 /nfs/dbraw/zinc/49/49/19/434494919.db2.gz SECRISVHKFECJB-MAUKXSAKSA-N 2 2 313.445 3.026 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398008304 434451819 /nfs/dbraw/zinc/45/18/19/434451819.db2.gz AFTPYGKFMYJBOF-NVXWUHKLSA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398008304 434451825 /nfs/dbraw/zinc/45/18/25/434451825.db2.gz AFTPYGKFMYJBOF-NVXWUHKLSA-N 2 2 311.429 3.413 20 0 DGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000438325884 434452456 /nfs/dbraw/zinc/45/24/56/434452456.db2.gz NSQCIQXWDXALHB-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000438325884 434452463 /nfs/dbraw/zinc/45/24/63/434452463.db2.gz NSQCIQXWDXALHB-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353819897 434455309 /nfs/dbraw/zinc/45/53/09/434455309.db2.gz QDOIEVZCYVYQHJ-RDTXWAMCSA-N 2 2 321.428 3.408 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1F ZINC000423493943 434456000 /nfs/dbraw/zinc/45/60/00/434456000.db2.gz RKFZBHOVNRPEDK-CZUORRHYSA-N 2 2 314.832 3.144 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404390814 434513884 /nfs/dbraw/zinc/51/38/84/434513884.db2.gz XYOJTIYUICVGTI-WBMJQRKESA-N 2 2 323.868 3.036 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404390814 434513892 /nfs/dbraw/zinc/51/38/92/434513892.db2.gz XYOJTIYUICVGTI-WBMJQRKESA-N 2 2 323.868 3.036 20 0 DGADLP CCC(CC)n1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000438614062 434519289 /nfs/dbraw/zinc/51/92/89/434519289.db2.gz UPROMWKCMJNIBH-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000438614062 434519296 /nfs/dbraw/zinc/51/92/96/434519296.db2.gz UPROMWKCMJNIBH-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000438614062 434519304 /nfs/dbraw/zinc/51/93/04/434519304.db2.gz UPROMWKCMJNIBH-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CCC(CC)n1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000438614062 434519313 /nfs/dbraw/zinc/51/93/13/434519313.db2.gz UPROMWKCMJNIBH-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CC(C)(C)[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000348836524 434520702 /nfs/dbraw/zinc/52/07/02/434520702.db2.gz CVLAWFPFSDNBME-UHFFFAOYSA-N 2 2 313.449 3.001 20 0 DGADLP CC(C)(C)[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000348836524 434520709 /nfs/dbraw/zinc/52/07/09/434520709.db2.gz CVLAWFPFSDNBME-UHFFFAOYSA-N 3 2 313.449 3.001 20 0 DGADLP c1cn(Cc2ccc(NCCSCc3ccccc3)[nH+]c2)c[nH+]1 ZINC000348838458 434521164 /nfs/dbraw/zinc/52/11/64/434521164.db2.gz PJVVAZMBFZGZHM-UHFFFAOYSA-N 2 2 324.453 3.672 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H](C)O1 ZINC000296156650 434524897 /nfs/dbraw/zinc/52/48/97/434524897.db2.gz WHERTVCBEZZAGR-TYNCELHUSA-N 2 2 305.809 3.181 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[nH+]1 ZINC000423771876 434528105 /nfs/dbraw/zinc/52/81/05/434528105.db2.gz KCDGJUZTTIGIFL-ZFWWWQNUSA-N 2 2 312.417 3.231 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000353927936 434532019 /nfs/dbraw/zinc/53/20/19/434532019.db2.gz JNBRWHLBATXBJU-UXPWSPDFSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000353927936 434532026 /nfs/dbraw/zinc/53/20/26/434532026.db2.gz JNBRWHLBATXBJU-UXPWSPDFSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000353927935 434532726 /nfs/dbraw/zinc/53/27/26/434532726.db2.gz JNBRWHLBATXBJU-DBVUQKKJSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000353927935 434532732 /nfs/dbraw/zinc/53/27/32/434532732.db2.gz JNBRWHLBATXBJU-DBVUQKKJSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)(C[NH2+]Cc1cn2cc(Cl)ccc2n1)C[NH+]1CCCC1 ZINC000360153135 434536190 /nfs/dbraw/zinc/53/61/90/434536190.db2.gz DCQJWYLNFKQCPD-UHFFFAOYSA-N 2 2 320.868 3.199 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)Cc1c[nH+]c2cccc(C)n12 ZINC000348869634 434537418 /nfs/dbraw/zinc/53/74/18/434537418.db2.gz NXOUFRPPIBMADK-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCN2CCc3ccccc32)c[nH+]1 ZINC000353940482 434538433 /nfs/dbraw/zinc/53/84/33/434538433.db2.gz BNHRZFVHUCPFIK-UHFFFAOYSA-N 2 2 309.457 3.365 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2ccsc2)N(C)C)c[nH+]1 ZINC000353945103 434539702 /nfs/dbraw/zinc/53/97/02/434539702.db2.gz NBXPWXPNLCUZCU-KRWDZBQOSA-N 2 2 303.475 3.277 20 0 DGADLP C[N@H+](Cc1cnc([C@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348879891 434540388 /nfs/dbraw/zinc/54/03/88/434540388.db2.gz UDNBSRBKUSPOCR-LBEMJPCMSA-N 2 2 321.490 3.052 20 0 DGADLP C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348879891 434540396 /nfs/dbraw/zinc/54/03/96/434540396.db2.gz UDNBSRBKUSPOCR-LBEMJPCMSA-N 2 2 321.490 3.052 20 0 DGADLP C[NH+](Cc1cnc([C@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348879891 434540402 /nfs/dbraw/zinc/54/04/02/434540402.db2.gz UDNBSRBKUSPOCR-LBEMJPCMSA-N 2 2 321.490 3.052 20 0 DGADLP C[NH+](Cc1cnc([C@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348879891 434540405 /nfs/dbraw/zinc/54/04/05/434540405.db2.gz UDNBSRBKUSPOCR-LBEMJPCMSA-N 2 2 321.490 3.052 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973829 434553279 /nfs/dbraw/zinc/55/32/79/434553279.db2.gz QSNUSZQPLRTJFW-SJORKVTESA-N 2 2 318.461 3.373 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973829 434553286 /nfs/dbraw/zinc/55/32/86/434553286.db2.gz QSNUSZQPLRTJFW-SJORKVTESA-N 2 2 318.461 3.373 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000353995917 434566529 /nfs/dbraw/zinc/56/65/29/434566529.db2.gz MDXZHRHIAXTYJC-WMZOPIPTSA-N 2 2 304.503 3.481 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000353995917 434566532 /nfs/dbraw/zinc/56/65/32/434566532.db2.gz MDXZHRHIAXTYJC-WMZOPIPTSA-N 2 2 304.503 3.481 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1Oc1cc[nH+]cc1 ZINC000423900276 434571760 /nfs/dbraw/zinc/57/17/60/434571760.db2.gz HVGIFDDFNCIRRE-ZIAGYGMSSA-N 2 2 311.385 3.248 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527791219 295131247 /nfs/dbraw/zinc/13/12/47/295131247.db2.gz RTCLPFOPSAIKJV-UHFFFAOYSA-N 2 2 320.864 3.073 20 0 DGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423909242 434573602 /nfs/dbraw/zinc/57/36/02/434573602.db2.gz QARUAMJQVKIDTO-SJKOYZFVSA-N 2 2 313.401 3.494 20 0 DGADLP COc1ccc[nH+]c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000527856146 295141175 /nfs/dbraw/zinc/14/11/75/295141175.db2.gz WBTAIORMULQPEE-UHFFFAOYSA-N 2 2 315.392 3.306 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC12CC2 ZINC000527882385 295144958 /nfs/dbraw/zinc/14/49/58/295144958.db2.gz CXSJXOKGDRMNDP-WMLDXEAASA-N 2 2 314.477 3.213 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C(C)C)c1 ZINC000527905851 295148563 /nfs/dbraw/zinc/14/85/63/295148563.db2.gz XEZXJVFCELSDEQ-MOPGFXCFSA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C(C)C)c1 ZINC000527905851 295148564 /nfs/dbraw/zinc/14/85/64/295148564.db2.gz XEZXJVFCELSDEQ-MOPGFXCFSA-N 2 2 304.478 3.129 20 0 DGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527915545 295149764 /nfs/dbraw/zinc/14/97/64/295149764.db2.gz OVXGONFDOKKPCA-QGZVFWFLSA-N 2 2 313.445 3.172 20 0 DGADLP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)OCC ZINC000527928757 295151939 /nfs/dbraw/zinc/15/19/39/295151939.db2.gz GQBAKARKRUNCGU-UHOSZYNNSA-N 2 2 319.493 3.087 20 0 DGADLP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)OCC ZINC000527928757 295151940 /nfs/dbraw/zinc/15/19/40/295151940.db2.gz GQBAKARKRUNCGU-UHOSZYNNSA-N 2 2 319.493 3.087 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)[nH+]1 ZINC000408464449 434579044 /nfs/dbraw/zinc/57/90/44/434579044.db2.gz IDFDSQSPERJBAB-AWEZNQCLSA-N 2 2 313.405 3.141 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)[nH+]1 ZINC000408464931 434580089 /nfs/dbraw/zinc/58/00/89/434580089.db2.gz JCFXDLDNKSBKFH-UHFFFAOYSA-N 2 2 313.405 3.141 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CO1 ZINC000418076448 434581142 /nfs/dbraw/zinc/58/11/42/434581142.db2.gz JHHMWSAPIGUZFF-GFCCVEGCSA-N 2 2 305.809 3.183 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407518 295209546 /nfs/dbraw/zinc/20/95/46/295209546.db2.gz QCQPJEALXQQLNJ-TZMCWYRMSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407518 295209549 /nfs/dbraw/zinc/20/95/49/295209549.db2.gz QCQPJEALXQQLNJ-TZMCWYRMSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407518 295209550 /nfs/dbraw/zinc/20/95/50/295209550.db2.gz QCQPJEALXQQLNJ-TZMCWYRMSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407518 295209552 /nfs/dbraw/zinc/20/95/52/295209552.db2.gz QCQPJEALXQQLNJ-TZMCWYRMSA-N 2 2 313.367 3.017 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000528425996 295212773 /nfs/dbraw/zinc/21/27/73/295212773.db2.gz SPOHKECBIQBKAJ-GXTWGEPZSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000528425996 295212775 /nfs/dbraw/zinc/21/27/75/295212775.db2.gz SPOHKECBIQBKAJ-GXTWGEPZSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528443027 295214707 /nfs/dbraw/zinc/21/47/07/295214707.db2.gz ZWUFPJHPYZTRAC-UONOGXRCSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528443027 295214709 /nfs/dbraw/zinc/21/47/09/295214709.db2.gz ZWUFPJHPYZTRAC-UONOGXRCSA-N 2 2 307.869 3.478 20 0 DGADLP CO[C@@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)CC(C)C ZINC000418099333 434586521 /nfs/dbraw/zinc/58/65/21/434586521.db2.gz NBUXHEBPKNFYEF-GOSISDBHSA-N 2 2 301.434 3.331 20 0 DGADLP C[N@H+](C[C@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583096 434619626 /nfs/dbraw/zinc/61/96/26/434619626.db2.gz SIQIZFRBDWXVOT-OALUTQOASA-N 2 2 314.473 3.059 20 0 DGADLP C[N@@H+](C[C@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583096 434619633 /nfs/dbraw/zinc/61/96/33/434619633.db2.gz SIQIZFRBDWXVOT-OALUTQOASA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583096 434619640 /nfs/dbraw/zinc/61/96/40/434619640.db2.gz SIQIZFRBDWXVOT-OALUTQOASA-N 2 2 314.473 3.059 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459583096 434619641 /nfs/dbraw/zinc/61/96/41/434619641.db2.gz SIQIZFRBDWXVOT-OALUTQOASA-N 2 2 314.473 3.059 20 0 DGADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c(C)n1 ZINC000439688585 434636559 /nfs/dbraw/zinc/63/65/59/434636559.db2.gz HOLIQZHBBBSKNJ-GOSISDBHSA-N 2 2 310.445 3.133 20 0 DGADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c(C)n1 ZINC000439688585 434636567 /nfs/dbraw/zinc/63/65/67/434636567.db2.gz HOLIQZHBBBSKNJ-GOSISDBHSA-N 2 2 310.445 3.133 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000354158196 434645717 /nfs/dbraw/zinc/64/57/17/434645717.db2.gz OFOXJUSRJJXYJP-UHFFFAOYSA-N 2 2 324.403 3.437 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447848 434601438 /nfs/dbraw/zinc/60/14/38/434601438.db2.gz RSTXYWKTTFMHCV-IAOVAPTHSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447848 434601441 /nfs/dbraw/zinc/60/14/41/434601441.db2.gz RSTXYWKTTFMHCV-IAOVAPTHSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447819 434602181 /nfs/dbraw/zinc/60/21/81/434602181.db2.gz AHKPMUDWWALIPK-RHSMWYFYSA-N 2 2 317.477 3.382 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447819 434602189 /nfs/dbraw/zinc/60/21/89/434602189.db2.gz AHKPMUDWWALIPK-RHSMWYFYSA-N 2 2 317.477 3.382 20 0 DGADLP CCOc1cc(C[N@@H+](CC)CCC[NH+](C)C)cc(Cl)c1O ZINC000459567831 434610558 /nfs/dbraw/zinc/61/05/58/434610558.db2.gz WKAWJFMZXJGRFO-UHFFFAOYSA-N 2 2 314.857 3.218 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000354089137 434611792 /nfs/dbraw/zinc/61/17/92/434611792.db2.gz BODUBTQQCKRRIS-AWEZNQCLSA-N 2 2 315.417 3.082 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccn(-c2ccccc2)n1 ZINC000349383891 434698783 /nfs/dbraw/zinc/69/87/83/434698783.db2.gz MUGMRWMJNBRVPT-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccn(-c2ccccc2)n1 ZINC000349383891 434698786 /nfs/dbraw/zinc/69/87/86/434698786.db2.gz MUGMRWMJNBRVPT-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000354181384 434659482 /nfs/dbraw/zinc/65/94/82/434659482.db2.gz LYPLNNZLBWJOBT-SOLBZPMBSA-N 3 2 303.494 3.279 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000354181384 434659486 /nfs/dbraw/zinc/65/94/86/434659486.db2.gz LYPLNNZLBWJOBT-SOLBZPMBSA-N 3 2 303.494 3.279 20 0 DGADLP c1csc([C@@H](Cc2ccncc2)[NH2+]CC[NH+]2CCCC2)c1 ZINC000424254774 434665863 /nfs/dbraw/zinc/66/58/63/434665863.db2.gz HBGFPVIGZAVMSB-MRXNPFEDSA-N 2 2 301.459 3.112 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000371292531 434666881 /nfs/dbraw/zinc/66/68/81/434666881.db2.gz CMDUIHGXHXBDJQ-ZACQAIPSSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000371292531 434666886 /nfs/dbraw/zinc/66/68/86/434666886.db2.gz CMDUIHGXHXBDJQ-ZACQAIPSSA-N 2 2 308.853 3.024 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371340356 434673020 /nfs/dbraw/zinc/67/30/20/434673020.db2.gz DKGQRQDTKXEUES-WTGUMLROSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371340356 434673026 /nfs/dbraw/zinc/67/30/26/434673026.db2.gz DKGQRQDTKXEUES-WTGUMLROSA-N 2 2 321.553 3.161 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220307 434674011 /nfs/dbraw/zinc/67/40/11/434674011.db2.gz FCDSXPHWMKVZMH-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220307 434674020 /nfs/dbraw/zinc/67/40/20/434674020.db2.gz FCDSXPHWMKVZMH-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220307 434674027 /nfs/dbraw/zinc/67/40/27/434674027.db2.gz FCDSXPHWMKVZMH-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@H]1C ZINC000354220307 434674033 /nfs/dbraw/zinc/67/40/33/434674033.db2.gz FCDSXPHWMKVZMH-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459731979 434683419 /nfs/dbraw/zinc/68/34/19/434683419.db2.gz LQOBXTBFYVAAFF-HBFSDRIKSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459731979 434683428 /nfs/dbraw/zinc/68/34/28/434683428.db2.gz LQOBXTBFYVAAFF-HBFSDRIKSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459731979 434683437 /nfs/dbraw/zinc/68/34/37/434683437.db2.gz LQOBXTBFYVAAFF-HBFSDRIKSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459731979 434683443 /nfs/dbraw/zinc/68/34/43/434683443.db2.gz LQOBXTBFYVAAFF-HBFSDRIKSA-N 3 2 315.505 3.143 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000349352567 434686278 /nfs/dbraw/zinc/68/62/78/434686278.db2.gz RAWBPCKWLOSHJW-UHFFFAOYSA-N 2 2 309.360 3.315 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000349352567 434686284 /nfs/dbraw/zinc/68/62/84/434686284.db2.gz RAWBPCKWLOSHJW-UHFFFAOYSA-N 2 2 309.360 3.315 20 0 DGADLP CCC(CC)(CC)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000354383647 434745496 /nfs/dbraw/zinc/74/54/96/434745496.db2.gz JZYWIUVVPVRQPF-LJQANCHMSA-N 2 2 318.505 3.212 20 0 DGADLP CCC(CC)(CC)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000354383647 434745502 /nfs/dbraw/zinc/74/55/02/434745502.db2.gz JZYWIUVVPVRQPF-LJQANCHMSA-N 2 2 318.505 3.212 20 0 DGADLP c1cn2c(cccc2C[NH2+]CCc2nc3ccccc3s2)[nH+]1 ZINC000354281463 434701744 /nfs/dbraw/zinc/70/17/44/434701744.db2.gz KJDOAYYJSNJDAB-UHFFFAOYSA-N 2 2 308.410 3.276 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354284490 434704093 /nfs/dbraw/zinc/70/40/93/434704093.db2.gz XEOQHRGXDUZVOD-WMZOPIPTSA-N 3 2 314.477 3.325 20 0 DGADLP C(=C\c1ccncc1)\C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349406367 434704812 /nfs/dbraw/zinc/70/48/12/434704812.db2.gz LAJNDAXPGBUIHW-IWQZZHSRSA-N 2 2 310.445 3.484 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1nc2ccc(OC)cc2s1 ZINC000349408820 434705869 /nfs/dbraw/zinc/70/58/69/434705869.db2.gz QFQVEQHVHNPWRP-UHFFFAOYSA-N 2 2 307.463 3.079 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1nc2ccc(OC)cc2s1 ZINC000349408820 434705871 /nfs/dbraw/zinc/70/58/71/434705871.db2.gz QFQVEQHVHNPWRP-UHFFFAOYSA-N 2 2 307.463 3.079 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c[nH+]1 ZINC000459782024 434717967 /nfs/dbraw/zinc/71/79/67/434717967.db2.gz XAUIZKPZQFQWBL-AWEZNQCLSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1ccc(CCC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c[nH+]1 ZINC000459782024 434717974 /nfs/dbraw/zinc/71/79/74/434717974.db2.gz XAUIZKPZQFQWBL-AWEZNQCLSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1nc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000360954377 434742532 /nfs/dbraw/zinc/74/25/32/434742532.db2.gz MKUWAQPSEMHHPW-HOTGVXAUSA-N 2 2 324.472 3.297 20 0 DGADLP Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000361015893 434767298 /nfs/dbraw/zinc/76/72/98/434767298.db2.gz FABDJKPZFMFSHO-UHFFFAOYSA-N 2 2 305.381 3.087 20 0 DGADLP Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000361015893 434767302 /nfs/dbraw/zinc/76/73/02/434767302.db2.gz FABDJKPZFMFSHO-UHFFFAOYSA-N 2 2 305.381 3.087 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000442665556 434771044 /nfs/dbraw/zinc/77/10/44/434771044.db2.gz PIHVBTOVZXWWHI-LSDHHAIUSA-N 2 2 300.450 3.144 20 0 DGADLP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC000442665556 434771050 /nfs/dbraw/zinc/77/10/50/434771050.db2.gz PIHVBTOVZXWWHI-LSDHHAIUSA-N 2 2 300.450 3.144 20 0 DGADLP CO[C@H](CC(C)C)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000419247092 434758914 /nfs/dbraw/zinc/75/89/14/434758914.db2.gz MXCQISZOQFVUQN-GOSISDBHSA-N 2 2 307.482 3.436 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424091 434778037 /nfs/dbraw/zinc/77/80/37/434778037.db2.gz KPQHMYMQZZUDRG-JCGIZDLHSA-N 2 2 313.420 3.370 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411424091 434778042 /nfs/dbraw/zinc/77/80/42/434778042.db2.gz KPQHMYMQZZUDRG-JCGIZDLHSA-N 2 2 313.420 3.370 20 0 DGADLP CCc1noc([C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361063478 434783606 /nfs/dbraw/zinc/78/36/06/434783606.db2.gz RCOOKXNAZSVUND-CQSZACIVSA-N 2 2 317.437 3.082 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000453109263 434802369 /nfs/dbraw/zinc/80/23/69/434802369.db2.gz AFESEAGNMGAXDY-QAPCUYQASA-N 2 2 310.445 3.143 20 0 DGADLP Cc1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000361089037 434793595 /nfs/dbraw/zinc/79/35/95/434793595.db2.gz UCZJFNRUDBLJDW-UHFFFAOYSA-N 2 2 304.463 3.340 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108081 434796569 /nfs/dbraw/zinc/79/65/69/434796569.db2.gz RJPGJHWOAOYDHH-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108081 434796572 /nfs/dbraw/zinc/79/65/72/434796572.db2.gz RJPGJHWOAOYDHH-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108081 434796576 /nfs/dbraw/zinc/79/65/76/434796576.db2.gz RJPGJHWOAOYDHH-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)[C@@H]2C1 ZINC000361108081 434796579 /nfs/dbraw/zinc/79/65/79/434796579.db2.gz RJPGJHWOAOYDHH-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP CO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCC2 ZINC000453111238 434805290 /nfs/dbraw/zinc/80/52/90/434805290.db2.gz BMBDNCPHPWBTCY-ROUUACIJSA-N 2 2 311.429 3.228 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)nc1 ZINC000372257542 434819266 /nfs/dbraw/zinc/81/92/66/434819266.db2.gz CNORCEQRGOTRNW-LBPRGKRZSA-N 2 2 313.792 3.167 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000453209000 434829145 /nfs/dbraw/zinc/82/91/45/434829145.db2.gz KWJPGBQTCINJRW-VQIMIIECSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000453209000 434829147 /nfs/dbraw/zinc/82/91/47/434829147.db2.gz KWJPGBQTCINJRW-VQIMIIECSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000453243058 434838136 /nfs/dbraw/zinc/83/81/36/434838136.db2.gz YFRUOBHJLMOOEB-LRDDRELGSA-N 2 2 305.809 3.183 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247183 434841035 /nfs/dbraw/zinc/84/10/35/434841035.db2.gz DNCKMHDQSIIGPS-OXJNMPFZSA-N 2 2 316.489 3.063 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247183 434841038 /nfs/dbraw/zinc/84/10/38/434841038.db2.gz DNCKMHDQSIIGPS-OXJNMPFZSA-N 2 2 316.489 3.063 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261587 434843150 /nfs/dbraw/zinc/84/31/50/434843150.db2.gz RYGXFRSHMBUKBZ-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261587 434843151 /nfs/dbraw/zinc/84/31/51/434843151.db2.gz RYGXFRSHMBUKBZ-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC000453262764 434843343 /nfs/dbraw/zinc/84/33/43/434843343.db2.gz STZOTGCRZZDBFD-ZWKOTPCHSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC000453262764 434843345 /nfs/dbraw/zinc/84/33/45/434843345.db2.gz STZOTGCRZZDBFD-ZWKOTPCHSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)n1C ZINC000521273267 434878754 /nfs/dbraw/zinc/87/87/54/434878754.db2.gz NCBQXDCDBNNXHK-KRWDZBQOSA-N 2 2 319.424 3.451 20 0 DGADLP Cc1cc(C)c(/C=C/C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1C ZINC000637813760 434885587 /nfs/dbraw/zinc/88/55/87/434885587.db2.gz CPMKXXAEOPVSAW-AATRIKPKSA-N 2 2 316.489 3.014 20 0 DGADLP Cc1cc(C)c(/C=C/C[N@H+](CCO)C2CC[NH+](C)CC2)cc1C ZINC000637813760 434885591 /nfs/dbraw/zinc/88/55/91/434885591.db2.gz CPMKXXAEOPVSAW-AATRIKPKSA-N 2 2 316.489 3.014 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000573410221 434898109 /nfs/dbraw/zinc/89/81/09/434898109.db2.gz TXXWUDLEBUBGPZ-YJBOKZPZSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000573410221 434898113 /nfs/dbraw/zinc/89/81/13/434898113.db2.gz TXXWUDLEBUBGPZ-YJBOKZPZSA-N 2 2 302.462 3.233 20 0 DGADLP Cc1[nH]c(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)[nH+]c1C ZINC000522013825 434907598 /nfs/dbraw/zinc/90/75/98/434907598.db2.gz JPDGQAAVZUIVJT-HNNXBMFYSA-N 2 2 306.841 3.072 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000554072872 434911753 /nfs/dbraw/zinc/91/17/53/434911753.db2.gz UVFDSMZMOOLICH-WFASDCNBSA-N 2 2 314.832 3.098 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000554072872 434911758 /nfs/dbraw/zinc/91/17/58/434911758.db2.gz UVFDSMZMOOLICH-WFASDCNBSA-N 2 2 314.832 3.098 20 0 DGADLP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000552920641 434874050 /nfs/dbraw/zinc/87/40/50/434874050.db2.gz DRSASBRRNHNZDM-JCNLHEQBSA-N 2 2 322.880 3.198 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(Cl)c1OC ZINC000574216764 434960390 /nfs/dbraw/zinc/96/03/90/434960390.db2.gz FVFPKIGEVPAEHD-YPMHNXCESA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(Cl)c1OC ZINC000574216764 434960395 /nfs/dbraw/zinc/96/03/95/434960395.db2.gz FVFPKIGEVPAEHD-YPMHNXCESA-N 2 2 312.841 3.059 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000555524931 434976386 /nfs/dbraw/zinc/97/63/86/434976386.db2.gz UKORPIZGMCBUID-MSOLQXFVSA-N 2 2 324.509 3.354 20 0 DGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1c[nH+]c2c(C)cccn12 ZINC000463512332 434963206 /nfs/dbraw/zinc/96/32/06/434963206.db2.gz KXZMCZGKNTVOKP-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638186434 434974418 /nfs/dbraw/zinc/97/44/18/434974418.db2.gz TZLKLUHMDAQYOW-LSDHHAIUSA-N 2 2 305.491 3.053 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]CCC[C@H]3CCO3)c(C)c2)CC1 ZINC000638186554 434974588 /nfs/dbraw/zinc/97/45/88/434974588.db2.gz WNWIQPFXURYIDF-SFHVURJKSA-N 2 2 317.477 3.118 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301706 434921055 /nfs/dbraw/zinc/92/10/55/434921055.db2.gz FLBICODJRUIQRL-ROUUACIJSA-N 2 2 324.509 3.162 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301706 434921061 /nfs/dbraw/zinc/92/10/61/434921061.db2.gz FLBICODJRUIQRL-ROUUACIJSA-N 2 2 324.509 3.162 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000637978060 434922140 /nfs/dbraw/zinc/92/21/40/434922140.db2.gz MZTOKRRJAGTFNQ-INIZCTEOSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000637978060 434922143 /nfs/dbraw/zinc/92/21/43/434922143.db2.gz MZTOKRRJAGTFNQ-INIZCTEOSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H](C)C3)CC2)c1 ZINC000462673109 434924548 /nfs/dbraw/zinc/92/45/48/434924548.db2.gz HMDCWFGRZSYWOX-RBUKOAKNSA-N 2 2 315.505 3.285 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882359 434934138 /nfs/dbraw/zinc/93/41/38/434934138.db2.gz GKLXVXPXSBGWKG-XEDLLIDESA-N 2 2 306.400 3.283 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882359 434934143 /nfs/dbraw/zinc/93/41/43/434934143.db2.gz GKLXVXPXSBGWKG-XEDLLIDESA-N 2 2 306.400 3.283 20 0 DGADLP CO[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000638441360 435030428 /nfs/dbraw/zinc/03/04/28/435030428.db2.gz FYRIUSQNQFWIFI-QGZVFWFLSA-N 2 2 323.440 3.343 20 0 DGADLP COC[C@]1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CCC[NH2+]1 ZINC000574663279 434995031 /nfs/dbraw/zinc/99/50/31/434995031.db2.gz AKVWNHZYQXFOLR-QGZVFWFLSA-N 2 2 323.506 3.049 20 0 DGADLP COC[C@@]1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CCC[NH2+]1 ZINC000574663278 434995051 /nfs/dbraw/zinc/99/50/51/434995051.db2.gz AKVWNHZYQXFOLR-KRWDZBQOSA-N 2 2 323.506 3.049 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000556155951 434998092 /nfs/dbraw/zinc/99/80/92/434998092.db2.gz UTPHOQOFKKZLMK-CUDHKJQZSA-N 2 2 318.505 3.485 20 0 DGADLP CC1=CC[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CC1 ZINC000556253600 435002036 /nfs/dbraw/zinc/00/20/36/435002036.db2.gz LPYAQGQYXFKJTR-WBVHZDCISA-N 2 2 300.450 3.133 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361037 435012614 /nfs/dbraw/zinc/01/26/14/435012614.db2.gz ZLVNWANADNWCAG-POAQFYNOSA-N 3 2 324.472 3.229 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361037 435012617 /nfs/dbraw/zinc/01/26/17/435012617.db2.gz ZLVNWANADNWCAG-POAQFYNOSA-N 3 2 324.472 3.229 20 0 DGADLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@H]2C1 ZINC000557644153 435061588 /nfs/dbraw/zinc/06/15/88/435061588.db2.gz QPMHLMHOVWIDLP-WBMJQRKESA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@H]2C1 ZINC000557644153 435061590 /nfs/dbraw/zinc/06/15/90/435061590.db2.gz QPMHLMHOVWIDLP-WBMJQRKESA-N 2 2 301.821 3.419 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638661122 435065135 /nfs/dbraw/zinc/06/51/35/435065135.db2.gz XYAZGZPIQNKOBK-UYAOXDASSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638661122 435065141 /nfs/dbraw/zinc/06/51/41/435065141.db2.gz XYAZGZPIQNKOBK-UYAOXDASSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000531257064 435080699 /nfs/dbraw/zinc/08/06/99/435080699.db2.gz AKDKDSNWXPYEFL-INIZCTEOSA-N 2 2 320.440 3.442 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)onc1C1CC1 ZINC000638453526 435035366 /nfs/dbraw/zinc/03/53/66/435035366.db2.gz DSDPOGGGCBFVJI-UHFFFAOYSA-N 2 2 303.450 3.296 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000556938208 435040396 /nfs/dbraw/zinc/04/03/96/435040396.db2.gz CCELWGZICKPQKD-KRWDZBQOSA-N 2 2 312.461 3.253 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000638564637 435053211 /nfs/dbraw/zinc/05/32/11/435053211.db2.gz MARWFLOGLAAEHQ-JCJXWUGKSA-N 2 2 302.462 3.227 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000638564637 435053216 /nfs/dbraw/zinc/05/32/16/435053216.db2.gz MARWFLOGLAAEHQ-JCJXWUGKSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(CO)cc1)c1ccccc1 ZINC000638601342 435057189 /nfs/dbraw/zinc/05/71/89/435057189.db2.gz KNTRKGIOBMHICC-MRXNPFEDSA-N 2 2 312.457 3.398 20 0 DGADLP Cc1c(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cnn1C ZINC000638823999 435095599 /nfs/dbraw/zinc/09/55/99/435095599.db2.gz BZVMDJCTBINSHH-ICSRJNTNSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1c(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cnn1C ZINC000638823999 435095602 /nfs/dbraw/zinc/09/56/02/435095602.db2.gz BZVMDJCTBINSHH-ICSRJNTNSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1c(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cnn1C ZINC000638823992 435096161 /nfs/dbraw/zinc/09/61/61/435096161.db2.gz BZVMDJCTBINSHH-AZUAARDMSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1c(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cnn1C ZINC000638823992 435096167 /nfs/dbraw/zinc/09/61/67/435096167.db2.gz BZVMDJCTBINSHH-AZUAARDMSA-N 2 2 324.472 3.186 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000531530349 435099293 /nfs/dbraw/zinc/09/92/93/435099293.db2.gz JNTFYIXWEGNUSO-QFHJOOASSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531530349 435099297 /nfs/dbraw/zinc/09/92/97/435099297.db2.gz JNTFYIXWEGNUSO-QFHJOOASSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000578664762 435102476 /nfs/dbraw/zinc/10/24/76/435102476.db2.gz XJFOBDGUCFGPKM-GOSISDBHSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000578664762 435102479 /nfs/dbraw/zinc/10/24/79/435102479.db2.gz XJFOBDGUCFGPKM-GOSISDBHSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)/C=C\c3[nH]cc[nH+]3)cc2)C1 ZINC000493110720 435109464 /nfs/dbraw/zinc/10/94/64/435109464.db2.gz AOKDWVGZKUELRK-WHLNPGIBSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\c3[nH]cc[nH+]3)cc2)C1 ZINC000493110720 435109467 /nfs/dbraw/zinc/10/94/67/435109467.db2.gz AOKDWVGZKUELRK-WHLNPGIBSA-N 2 2 324.428 3.294 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+]1C ZINC000531737229 435114709 /nfs/dbraw/zinc/11/47/09/435114709.db2.gz WWWKTBWGFSSYMU-XYPHTWIQSA-N 2 2 309.885 3.015 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)CC[N@H+]1C ZINC000531737229 435114711 /nfs/dbraw/zinc/11/47/11/435114711.db2.gz WWWKTBWGFSSYMU-XYPHTWIQSA-N 2 2 309.885 3.015 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000531956416 435129140 /nfs/dbraw/zinc/12/91/40/435129140.db2.gz LGYZYXVKXHHCQP-ZDUSSCGKSA-N 2 2 321.396 3.170 20 0 DGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983747 435131807 /nfs/dbraw/zinc/13/18/07/435131807.db2.gz JYMIOZGCXDBXOP-GDBMZVCRSA-N 2 2 306.450 3.086 20 0 DGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983747 435131813 /nfs/dbraw/zinc/13/18/13/435131813.db2.gz JYMIOZGCXDBXOP-GDBMZVCRSA-N 2 2 306.450 3.086 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000579267165 435142178 /nfs/dbraw/zinc/14/21/78/435142178.db2.gz XMSITDINEQRGHD-MLGOLLRUSA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000579267165 435142180 /nfs/dbraw/zinc/14/21/80/435142180.db2.gz XMSITDINEQRGHD-MLGOLLRUSA-N 2 2 308.853 3.311 20 0 DGADLP CC1CC[NH+](CC[NH2+]C2(c3ccccc3)CCOCC2)CC1 ZINC000532708539 435187062 /nfs/dbraw/zinc/18/70/62/435187062.db2.gz FHFNCPDQQNEYJX-UHFFFAOYSA-N 2 2 302.462 3.014 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532700218 435187718 /nfs/dbraw/zinc/18/77/18/435187718.db2.gz MMPLQBXNVLHRNX-UHFFFAOYSA-N 2 2 310.445 3.106 20 0 DGADLP CC(C)(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C1CCC1 ZINC000560896475 435194875 /nfs/dbraw/zinc/19/48/75/435194875.db2.gz BEAAELPMXDJBIQ-UHFFFAOYSA-N 2 2 322.416 3.449 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878766 435196540 /nfs/dbraw/zinc/19/65/40/435196540.db2.gz UIOBNBYLDSCXMW-DNVCBOLYSA-N 2 2 314.473 3.320 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878766 435196543 /nfs/dbraw/zinc/19/65/43/435196543.db2.gz UIOBNBYLDSCXMW-DNVCBOLYSA-N 2 2 314.473 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000475507140 435201033 /nfs/dbraw/zinc/20/10/33/435201033.db2.gz KGNKDMZEVPCQDK-CQSZACIVSA-N 2 2 312.379 3.488 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000475507140 435201038 /nfs/dbraw/zinc/20/10/38/435201038.db2.gz KGNKDMZEVPCQDK-CQSZACIVSA-N 2 2 312.379 3.488 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000532240698 435151679 /nfs/dbraw/zinc/15/16/79/435151679.db2.gz OAEHNMSYQHSWHO-CJNGLKHVSA-N 2 2 308.853 3.485 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000474599790 435151953 /nfs/dbraw/zinc/15/19/53/435151953.db2.gz FQCBGCQAXCVRNE-HRCADAONSA-N 2 2 319.493 3.290 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000532352629 435160383 /nfs/dbraw/zinc/16/03/83/435160383.db2.gz JUEMDQIJNGSVOP-SJLPKXTDSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000532352629 435160386 /nfs/dbraw/zinc/16/03/86/435160386.db2.gz JUEMDQIJNGSVOP-SJLPKXTDSA-N 2 2 311.429 3.091 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000474801271 435161312 /nfs/dbraw/zinc/16/13/12/435161312.db2.gz LERLBMKUAZBWHE-RKVPGOIHSA-N 2 2 322.518 3.214 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000474801270 435162139 /nfs/dbraw/zinc/16/21/39/435162139.db2.gz LERLBMKUAZBWHE-IIDMSEBBSA-N 2 2 322.518 3.214 20 0 DGADLP Oc1cccnc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120381 435162668 /nfs/dbraw/zinc/16/26/68/435162668.db2.gz QUUOKONGMIOWBT-APWZRJJASA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639120381 435162671 /nfs/dbraw/zinc/16/26/71/435162671.db2.gz QUUOKONGMIOWBT-APWZRJJASA-N 2 2 323.440 3.245 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1OC ZINC000474866694 435163483 /nfs/dbraw/zinc/16/34/83/435163483.db2.gz DUJDRJOJSVIOMA-HZPDHXFCSA-N 2 2 320.477 3.271 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000532440694 435165545 /nfs/dbraw/zinc/16/55/45/435165545.db2.gz FKIDZJPZGWCCCI-QFBILLFUSA-N 2 2 304.478 3.256 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639132355 435168646 /nfs/dbraw/zinc/16/86/46/435168646.db2.gz MPOONAYIJJOFJK-UHFFFAOYSA-N 2 2 319.399 3.431 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639132355 435168648 /nfs/dbraw/zinc/16/86/48/435168648.db2.gz MPOONAYIJJOFJK-UHFFFAOYSA-N 2 2 319.399 3.431 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000532532230 435173561 /nfs/dbraw/zinc/17/35/61/435173561.db2.gz TVQNUJRXLZLYPA-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000532532230 435173564 /nfs/dbraw/zinc/17/35/64/435173564.db2.gz TVQNUJRXLZLYPA-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP CC(C)O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000639147999 435174131 /nfs/dbraw/zinc/17/41/31/435174131.db2.gz AIHUGMIHLKRZKW-SFHVURJKSA-N 2 2 313.445 3.475 20 0 DGADLP CO[C@@](C)(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154653 435176718 /nfs/dbraw/zinc/17/67/18/435176718.db2.gz MSFMJNNRUXTMFC-KXBFYZLASA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@@](C)(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154653 435176721 /nfs/dbraw/zinc/17/67/21/435176721.db2.gz MSFMJNNRUXTMFC-KXBFYZLASA-N 2 2 317.477 3.214 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCc3c2cccc3Cl)CCSC1 ZINC000532549602 435176927 /nfs/dbraw/zinc/17/69/27/435176927.db2.gz CDFFGYSGVCZCCX-HOTGVXAUSA-N 2 2 310.894 3.354 20 0 DGADLP C[C@@H]([N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000561469451 435218917 /nfs/dbraw/zinc/21/89/17/435218917.db2.gz XYIHAGIJJYOUQM-MRXNPFEDSA-N 2 2 304.478 3.385 20 0 DGADLP C[C@@H]([N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000561469451 435218922 /nfs/dbraw/zinc/21/89/22/435218922.db2.gz XYIHAGIJJYOUQM-MRXNPFEDSA-N 2 2 304.478 3.385 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000580301832 435221180 /nfs/dbraw/zinc/22/11/80/435221180.db2.gz QSFZYHLBLXGEQL-UXHICEINSA-N 3 2 318.424 3.166 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000580311428 435221796 /nfs/dbraw/zinc/22/17/96/435221796.db2.gz IKTWOHVEBKLEOG-MSOLQXFVSA-N 2 2 312.461 3.211 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)c1 ZINC000642341758 435224411 /nfs/dbraw/zinc/22/44/11/435224411.db2.gz VVSUQIGBIQYAFW-DLBZAZTESA-N 2 2 317.477 3.176 20 0 DGADLP CCOC1CC(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639297989 435232939 /nfs/dbraw/zinc/23/29/39/435232939.db2.gz ZIYSURPSMFULOR-CTWPCTMYSA-N 2 2 302.462 3.056 20 0 DGADLP CCOC1CC(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639297989 435232946 /nfs/dbraw/zinc/23/29/46/435232946.db2.gz ZIYSURPSMFULOR-CTWPCTMYSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000583888656 435254834 /nfs/dbraw/zinc/25/48/34/435254834.db2.gz WJXAQZKCAJKNRU-INIZCTEOSA-N 2 2 321.896 3.336 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000583888656 435254840 /nfs/dbraw/zinc/25/48/40/435254840.db2.gz WJXAQZKCAJKNRU-INIZCTEOSA-N 2 2 321.896 3.336 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000639374652 435271760 /nfs/dbraw/zinc/27/17/60/435271760.db2.gz IKZJPUAHVYWLKP-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(C)c1O ZINC000639375584 435271926 /nfs/dbraw/zinc/27/19/26/435271926.db2.gz XQQYGXCRELICOR-UHFFFAOYSA-N 2 2 302.462 3.459 20 0 DGADLP Cn1nc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c2ccccc21 ZINC000639375512 435272573 /nfs/dbraw/zinc/27/25/73/435272573.db2.gz WSHOPCYWBPRVCS-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](CC)CC)CCO1 ZINC000648417398 435292777 /nfs/dbraw/zinc/29/27/77/435292777.db2.gz FIXZBFZKZBBAPG-SLFFLAALSA-N 2 2 318.505 3.487 20 0 DGADLP c1c(CC[NH2+][C@H]2CCCc3ccccc3C2)[nH+]c2n1CCCC2 ZINC000648417888 435293183 /nfs/dbraw/zinc/29/31/83/435293183.db2.gz OUFDKEOYSNMWPU-SFHVURJKSA-N 2 2 309.457 3.299 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@H](C)O1 ZINC000648462572 435308089 /nfs/dbraw/zinc/30/80/89/435308089.db2.gz NKIBNDCUKBKCCF-IDCNUPLLSA-N 2 2 313.445 3.250 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000643025397 435261067 /nfs/dbraw/zinc/26/10/67/435261067.db2.gz KXIIBAZRTYCJKB-BPUTZDHNSA-N 2 2 311.429 3.115 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000643032344 435263186 /nfs/dbraw/zinc/26/31/86/435263186.db2.gz AZFHCVKVHXBVTO-UONOGXRCSA-N 2 2 316.493 3.260 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000511242498 435318508 /nfs/dbraw/zinc/31/85/08/435318508.db2.gz NGRSWVOXHJCNGD-INIZCTEOSA-N 2 2 324.468 3.012 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000643375273 435319477 /nfs/dbraw/zinc/31/94/77/435319477.db2.gz WYGAMBBDJLISNF-UHFFFAOYSA-N 2 2 323.444 3.296 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCc2c[nH]nc2C1 ZINC000643375273 435319482 /nfs/dbraw/zinc/31/94/82/435319482.db2.gz WYGAMBBDJLISNF-UHFFFAOYSA-N 2 2 323.444 3.296 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC3(CCCO3)CC1)CCC2 ZINC000567556319 435328232 /nfs/dbraw/zinc/32/82/32/435328232.db2.gz VKTVWEPQRFCYMW-HJOIGYKYSA-N 2 2 303.450 3.150 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000643467668 435332690 /nfs/dbraw/zinc/33/26/90/435332690.db2.gz OOTNRSDOSGTRJT-DYESRHJHSA-N 2 2 324.468 3.253 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(N2CCCC2)n1 ZINC000643471288 435332767 /nfs/dbraw/zinc/33/27/67/435332767.db2.gz OVCBZRLFPCVNBF-MOPGFXCFSA-N 2 2 322.456 3.225 20 0 DGADLP COc1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000639532691 435332846 /nfs/dbraw/zinc/33/28/46/435332846.db2.gz JRXBMAWCEGBVLE-AWEZNQCLSA-N 2 2 322.412 3.346 20 0 DGADLP COc1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000639532691 435332849 /nfs/dbraw/zinc/33/28/49/435332849.db2.gz JRXBMAWCEGBVLE-AWEZNQCLSA-N 2 2 322.412 3.346 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000535575053 435336664 /nfs/dbraw/zinc/33/66/64/435336664.db2.gz JLNREUCCDKKIQX-UHFFFAOYSA-N 2 2 302.447 3.231 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1OC(F)(F)F ZINC000643501151 435337234 /nfs/dbraw/zinc/33/72/34/435337234.db2.gz XQSFCELNYGHLPD-VXGBXAGGSA-N 2 2 302.340 3.378 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)c(Br)c1 ZINC000643500973 435337541 /nfs/dbraw/zinc/33/75/41/435337541.db2.gz LVUDXXGTRBNNAW-CMPLNLGQSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)CCC(C)(C)C ZINC000479533808 435337989 /nfs/dbraw/zinc/33/79/89/435337989.db2.gz UEFDHLSCNYXGJV-NZSAHSFTSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)CCC(C)(C)C ZINC000479533808 435337994 /nfs/dbraw/zinc/33/79/94/435337994.db2.gz UEFDHLSCNYXGJV-NZSAHSFTSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Br)c(F)c1 ZINC000643501549 435339129 /nfs/dbraw/zinc/33/91/29/435339129.db2.gz KIFHPKBLWUQKHE-CMPLNLGQSA-N 2 2 315.230 3.381 20 0 DGADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507491 435339366 /nfs/dbraw/zinc/33/93/66/435339366.db2.gz GEKGAYZQZZZTLG-OAHLLOKOSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588799 435340290 /nfs/dbraw/zinc/34/02/90/435340290.db2.gz HUAAVBPAUUYQDY-UMVBOHGHSA-N 2 2 300.368 3.295 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588799 435340296 /nfs/dbraw/zinc/34/02/96/435340296.db2.gz HUAAVBPAUUYQDY-UMVBOHGHSA-N 2 2 300.368 3.295 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Br)cc1Cl ZINC000643527964 435344268 /nfs/dbraw/zinc/34/42/68/435344268.db2.gz WJHSEBBUNUQBCO-PELKAZGASA-N 2 2 305.647 3.490 20 0 DGADLP Cc1ccc(C(=O)C2CC[NH+](CCn3cc[nH+]c3)CC2)c(C)c1 ZINC000535745287 435345762 /nfs/dbraw/zinc/34/57/62/435345762.db2.gz WAHYYUJCQWHTPZ-UHFFFAOYSA-N 2 2 311.429 3.095 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000643537197 435345837 /nfs/dbraw/zinc/34/58/37/435345837.db2.gz AQILWXYNIQNABN-SOUVJXGZSA-N 2 2 316.342 3.446 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643538170 435346539 /nfs/dbraw/zinc/34/65/39/435346539.db2.gz AGYSNWRCQNJCKH-WTPMCQDGSA-N 2 2 302.846 3.183 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)cc1 ZINC000643537858 435347540 /nfs/dbraw/zinc/34/75/40/435347540.db2.gz SIIVXVAYKJNKFN-MELADBBJSA-N 2 2 315.230 3.190 20 0 DGADLP COC(=O)[C@@H](C)[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000567782086 435355926 /nfs/dbraw/zinc/35/59/26/435355926.db2.gz YQVYJEADJANWTN-YJBOKZPZSA-N 2 2 312.413 3.073 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000480010668 435360162 /nfs/dbraw/zinc/36/01/62/435360162.db2.gz DXSQGKPYDCCCNH-YJLNNSPDSA-N 2 2 320.452 3.005 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000480010668 435360165 /nfs/dbraw/zinc/36/01/65/435360165.db2.gz DXSQGKPYDCCCNH-YJLNNSPDSA-N 2 2 320.452 3.005 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000480048549 435363029 /nfs/dbraw/zinc/36/30/29/435363029.db2.gz NNHXFVZUIJLECQ-SJLPKXTDSA-N 2 2 322.880 3.274 20 0 DGADLP CC1=Nc2ccccc2C12CC[NH+](CCc1c[nH+]cn1C)CC2 ZINC000639728480 435401297 /nfs/dbraw/zinc/40/12/97/435401297.db2.gz IUFYGOFPDNCHGP-UHFFFAOYSA-N 2 2 308.429 3.102 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000481048344 435406594 /nfs/dbraw/zinc/40/65/94/435406594.db2.gz LQHBGXYGRIHLNL-WOJBJXKFSA-N 2 2 316.489 3.474 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000568273457 435418817 /nfs/dbraw/zinc/41/88/17/435418817.db2.gz SAOBLRANDNZQFX-PBHICJAKSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000568273457 435418821 /nfs/dbraw/zinc/41/88/21/435418821.db2.gz SAOBLRANDNZQFX-PBHICJAKSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1[nH]c(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH+]c1C ZINC000568273457 435418822 /nfs/dbraw/zinc/41/88/22/435418822.db2.gz SAOBLRANDNZQFX-PBHICJAKSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639613900 435367547 /nfs/dbraw/zinc/36/75/47/435367547.db2.gz ANJFMESONVDGQK-INIZCTEOSA-N 2 2 304.434 3.048 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066675 435368768 /nfs/dbraw/zinc/36/87/68/435368768.db2.gz HOLGITVHVNPKOB-DZGCQCFKSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066675 435368773 /nfs/dbraw/zinc/36/87/73/435368773.db2.gz HOLGITVHVNPKOB-DZGCQCFKSA-N 2 2 323.400 3.021 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000480238575 435371821 /nfs/dbraw/zinc/37/18/21/435371821.db2.gz DQMKQEQKOWAQAX-KURKYZTESA-N 2 2 304.478 3.453 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000643898395 435381488 /nfs/dbraw/zinc/38/14/88/435381488.db2.gz DYLZZRHQWYOSAT-IAGOWNOFSA-N 2 2 304.478 3.228 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000568031401 435381501 /nfs/dbraw/zinc/38/15/01/435381501.db2.gz XCQTTZMRKYNCCC-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000568031401 435381506 /nfs/dbraw/zinc/38/15/06/435381506.db2.gz XCQTTZMRKYNCCC-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400637 435386889 /nfs/dbraw/zinc/38/68/89/435386889.db2.gz ZUFMPTSYFGFSHA-UYAOXDASSA-N 2 2 316.489 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400637 435386893 /nfs/dbraw/zinc/38/68/93/435386893.db2.gz ZUFMPTSYFGFSHA-UYAOXDASSA-N 2 2 316.489 3.480 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C2CC2)c1 ZINC000513527400 435392036 /nfs/dbraw/zinc/39/20/36/435392036.db2.gz SKAKLCHJQBTRHO-FQEVSTJZSA-N 2 2 316.489 3.338 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715994 435396678 /nfs/dbraw/zinc/39/66/78/435396678.db2.gz KYPKTOBQEVQWTE-WBVHZDCISA-N 2 2 304.478 3.179 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715994 435396682 /nfs/dbraw/zinc/39/66/82/435396682.db2.gz KYPKTOBQEVQWTE-WBVHZDCISA-N 2 2 304.478 3.179 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000515094078 435462870 /nfs/dbraw/zinc/46/28/70/435462870.db2.gz ZTJSCABUPURQNT-MXSMSXNCSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000515094078 435462876 /nfs/dbraw/zinc/46/28/76/435462876.db2.gz ZTJSCABUPURQNT-MXSMSXNCSA-N 2 2 304.503 3.238 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000639983126 435480357 /nfs/dbraw/zinc/48/03/57/435480357.db2.gz BXHJDUNULKJGQL-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000538723895 435517555 /nfs/dbraw/zinc/51/75/55/435517555.db2.gz FTEWHXORAVGMQX-QYZOEREBSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000538723895 435517559 /nfs/dbraw/zinc/51/75/59/435517559.db2.gz FTEWHXORAVGMQX-QYZOEREBSA-N 2 2 321.553 3.161 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000483521792 435523104 /nfs/dbraw/zinc/52/31/04/435523104.db2.gz YUZAALJHLNPKKI-LJQANCHMSA-N 2 2 315.505 3.300 20 0 DGADLP Cc1ccc(C)c(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000483521792 435523108 /nfs/dbraw/zinc/52/31/08/435523108.db2.gz YUZAALJHLNPKKI-LJQANCHMSA-N 2 2 315.505 3.300 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000516283693 435524028 /nfs/dbraw/zinc/52/40/28/435524028.db2.gz BYSLTFHMBPMNNC-FQEVSTJZSA-N 2 2 310.441 3.206 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000516283693 435524034 /nfs/dbraw/zinc/52/40/34/435524034.db2.gz BYSLTFHMBPMNNC-FQEVSTJZSA-N 2 2 310.441 3.206 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)c2ccccc21 ZINC000516450532 435531314 /nfs/dbraw/zinc/53/13/14/435531314.db2.gz ZQCMSBSXEYRDCO-RTBURBONSA-N 2 2 322.456 3.306 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3)c2)[C@@H](C)C1 ZINC000484603024 435548131 /nfs/dbraw/zinc/54/81/31/435548131.db2.gz ITOPCBYLDUVFNY-BXWFABGCSA-N 2 2 301.478 3.278 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3)c2)[C@@H](C)C1 ZINC000484603024 435548135 /nfs/dbraw/zinc/54/81/35/435548135.db2.gz ITOPCBYLDUVFNY-BXWFABGCSA-N 2 2 301.478 3.278 20 0 DGADLP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000649351920 435568353 /nfs/dbraw/zinc/56/83/53/435568353.db2.gz QUSACOISYAIAFA-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP COC1CC[NH+](CC[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000645161124 435581045 /nfs/dbraw/zinc/58/10/45/435581045.db2.gz RVLRBFWBCGJRCP-UHFFFAOYSA-N 2 2 302.462 3.155 20 0 DGADLP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000517204765 435581901 /nfs/dbraw/zinc/58/19/01/435581901.db2.gz CZMVZPULTWXMEO-MRXNPFEDSA-N 2 2 307.825 3.294 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000569495680 435538577 /nfs/dbraw/zinc/53/85/77/435538577.db2.gz KGFAEJCPZAECIR-KRWDZBQOSA-N 2 2 301.459 3.143 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000569495680 435538583 /nfs/dbraw/zinc/53/85/83/435538583.db2.gz KGFAEJCPZAECIR-KRWDZBQOSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484476199 435546111 /nfs/dbraw/zinc/54/61/11/435546111.db2.gz UXZVEBWKGCLNNB-FSPWUOQZSA-N 2 2 322.493 3.476 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[N@@H+]1CCCC[C@H]1C ZINC000570474886 435623131 /nfs/dbraw/zinc/62/31/31/435623131.db2.gz LRCJLORIVLBTEY-ZJPYXAASSA-N 2 2 318.509 3.299 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[N@H+]1CCCC[C@H]1C ZINC000570474886 435623136 /nfs/dbraw/zinc/62/31/36/435623136.db2.gz LRCJLORIVLBTEY-ZJPYXAASSA-N 2 2 318.509 3.299 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518156175 435628086 /nfs/dbraw/zinc/62/80/86/435628086.db2.gz ILZWPLYKVMYDCM-QWFCFKBJSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000518156175 435628092 /nfs/dbraw/zinc/62/80/92/435628092.db2.gz ILZWPLYKVMYDCM-QWFCFKBJSA-N 2 2 315.505 3.286 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000540259368 435595279 /nfs/dbraw/zinc/59/52/79/435595279.db2.gz RCAREMNYZMBAEC-ZIFCJYIRSA-N 2 2 304.478 3.473 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000540259368 435595282 /nfs/dbraw/zinc/59/52/82/435595282.db2.gz RCAREMNYZMBAEC-ZIFCJYIRSA-N 2 2 304.478 3.473 20 0 DGADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765612 435642591 /nfs/dbraw/zinc/64/25/91/435642591.db2.gz STZAHOKMJZBUEW-LALPHHSUSA-N 2 2 324.266 3.011 20 0 DGADLP C[C@@H]1C[C@H]1[N@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765612 435642592 /nfs/dbraw/zinc/64/25/92/435642592.db2.gz STZAHOKMJZBUEW-LALPHHSUSA-N 2 2 324.266 3.011 20 0 DGADLP Cc1ccc2cc[nH+]c(N3CC[NH+](Cc4ccco4)CC3)c2c1 ZINC000571077150 435676007 /nfs/dbraw/zinc/67/60/07/435676007.db2.gz XFUNBLXVPSFPLN-UHFFFAOYSA-N 2 2 307.397 3.458 20 0 DGADLP COc1cncc(/C=C/CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000645793762 435692024 /nfs/dbraw/zinc/69/20/24/435692024.db2.gz RVTBAMZCTDGZAX-WAUBUAMCSA-N 2 2 312.417 3.027 20 0 DGADLP COc1cncc(/C=C/CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000645793762 435692027 /nfs/dbraw/zinc/69/20/27/435692027.db2.gz RVTBAMZCTDGZAX-WAUBUAMCSA-N 2 2 312.417 3.027 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655700867 435737703 /nfs/dbraw/zinc/73/77/03/435737703.db2.gz NGXABJIRFSUQFD-YOEHRIQHSA-N 2 2 320.502 3.312 20 0 DGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000655709424 435740277 /nfs/dbraw/zinc/74/02/77/435740277.db2.gz ZMNUQOGNSFRNDO-UHFFFAOYSA-N 2 2 318.440 3.140 20 0 DGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000655709424 435740284 /nfs/dbraw/zinc/74/02/84/435740284.db2.gz ZMNUQOGNSFRNDO-UHFFFAOYSA-N 2 2 318.440 3.140 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc(C)cs1 ZINC000655713136 435742503 /nfs/dbraw/zinc/74/25/03/435742503.db2.gz VZMINXDKGHFVEB-JKSUJKDBSA-N 2 2 323.506 3.136 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655716171 435744649 /nfs/dbraw/zinc/74/46/49/435744649.db2.gz QUIOGTYVRKILFM-HZPDHXFCSA-N 2 2 319.518 3.443 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424760 435749381 /nfs/dbraw/zinc/74/93/81/435749381.db2.gz WRFFYWKGFVJNQF-CVEARBPZSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424760 435749384 /nfs/dbraw/zinc/74/93/84/435749384.db2.gz WRFFYWKGFVJNQF-CVEARBPZSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000655722671 435750717 /nfs/dbraw/zinc/75/07/17/435750717.db2.gz FXCPYXZVWRANEC-WMLDXEAASA-N 2 2 306.425 3.038 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660468570 435763197 /nfs/dbraw/zinc/76/31/97/435763197.db2.gz LZROQHGDCGDQJG-MAUKXSAKSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660468570 435763202 /nfs/dbraw/zinc/76/32/02/435763202.db2.gz LZROQHGDCGDQJG-MAUKXSAKSA-N 2 2 306.425 3.073 20 0 DGADLP CC[N@H+](CCC1CCN(c2cc(CO)cc[nH+]2)CC1)CC(C)C ZINC000641479496 435752200 /nfs/dbraw/zinc/75/22/00/435752200.db2.gz OBTKEICZPWBAMF-UHFFFAOYSA-N 2 2 319.493 3.158 20 0 DGADLP CC[N@@H+](CCC1CCN(c2cc(CO)cc[nH+]2)CC1)CC(C)C ZINC000641479496 435752203 /nfs/dbraw/zinc/75/22/03/435752203.db2.gz OBTKEICZPWBAMF-UHFFFAOYSA-N 2 2 319.493 3.158 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1NCC1CC[NH+](CC2CC2)CC1 ZINC000664647567 435753238 /nfs/dbraw/zinc/75/32/38/435753238.db2.gz RGMPTFAGRVANAE-UHFFFAOYSA-N 2 2 316.424 3.246 20 0 DGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000655730463 435753424 /nfs/dbraw/zinc/75/34/24/435753424.db2.gz SYHPEDHZPIGSEM-DZGCQCFKSA-N 2 2 323.506 3.170 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CS1 ZINC000655729953 435755233 /nfs/dbraw/zinc/75/52/33/435755233.db2.gz QHGMYQXRVWQVFC-UONOGXRCSA-N 2 2 303.475 3.380 20 0 DGADLP Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655729349 435755568 /nfs/dbraw/zinc/75/55/68/435755568.db2.gz KDXMKBAOZCYCHW-XLIONFOSSA-N 2 2 316.489 3.077 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917255 435755892 /nfs/dbraw/zinc/75/58/92/435755892.db2.gz FJIITVUTFGMVFA-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917255 435755898 /nfs/dbraw/zinc/75/58/98/435755898.db2.gz FJIITVUTFGMVFA-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917255 435755906 /nfs/dbraw/zinc/75/59/06/435755906.db2.gz FJIITVUTFGMVFA-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917255 435755912 /nfs/dbraw/zinc/75/59/12/435755912.db2.gz FJIITVUTFGMVFA-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccn1 ZINC000655732429 435757105 /nfs/dbraw/zinc/75/71/05/435757105.db2.gz BETANBKEYCWTMK-MJGOQNOKSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655736263 435757603 /nfs/dbraw/zinc/75/76/03/435757603.db2.gz CPJNQDBMXNKKQU-WRWLIDTKSA-N 2 2 314.473 3.468 20 0 DGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735364 435759585 /nfs/dbraw/zinc/75/95/85/435759585.db2.gz HWMRLXRQIKVJFM-PKOBYXMFSA-N 2 2 318.436 3.046 20 0 DGADLP CC(C)(C)c1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc[nH+]1 ZINC000664678800 435759749 /nfs/dbraw/zinc/75/97/49/435759749.db2.gz NCOQABJBVVWDOM-OAHLLOKOSA-N 2 2 302.466 3.308 20 0 DGADLP CC(C)(C)c1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000664678800 435759757 /nfs/dbraw/zinc/75/97/57/435759757.db2.gz NCOQABJBVVWDOM-OAHLLOKOSA-N 2 2 302.466 3.308 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000649793818 435706441 /nfs/dbraw/zinc/70/64/41/435706441.db2.gz SXBCGPLIROYPMU-KRWDZBQOSA-N 2 2 313.445 3.068 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000649793818 435706445 /nfs/dbraw/zinc/70/64/45/435706445.db2.gz SXBCGPLIROYPMU-KRWDZBQOSA-N 2 2 313.445 3.068 20 0 DGADLP C[C@H]1CC[N@H+](CCCN(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000572239241 435796564 /nfs/dbraw/zinc/79/65/64/435796564.db2.gz PWMXIIBMWZZDMK-PKOBYXMFSA-N 2 2 312.461 3.293 20 0 DGADLP C[C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000572239241 435796571 /nfs/dbraw/zinc/79/65/71/435796571.db2.gz PWMXIIBMWZZDMK-PKOBYXMFSA-N 2 2 312.461 3.293 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(O)CCCC1(C)C ZINC000550255910 435796896 /nfs/dbraw/zinc/79/68/96/435796896.db2.gz YUZSRVLOAOXRPU-IMFGXOCKSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(O)CCCC1(C)C ZINC000550255910 435796904 /nfs/dbraw/zinc/79/69/04/435796904.db2.gz YUZSRVLOAOXRPU-IMFGXOCKSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]1CC[N@H+](CCCN(C)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000572239238 435798101 /nfs/dbraw/zinc/79/81/01/435798101.db2.gz PWMXIIBMWZZDMK-HKUYNNGSSA-N 2 2 312.461 3.293 20 0 DGADLP C[C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000572239238 435798103 /nfs/dbraw/zinc/79/81/03/435798103.db2.gz PWMXIIBMWZZDMK-HKUYNNGSSA-N 2 2 312.461 3.293 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000550645099 435806693 /nfs/dbraw/zinc/80/66/93/435806693.db2.gz URXJBMKIXOASMC-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000550645099 435806696 /nfs/dbraw/zinc/80/66/96/435806696.db2.gz URXJBMKIXOASMC-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000550897573 435813504 /nfs/dbraw/zinc/81/35/04/435813504.db2.gz FRTLZEQQBWVTQY-FUHIMQAGSA-N 2 2 318.505 3.210 20 0 DGADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000550897573 435813510 /nfs/dbraw/zinc/81/35/10/435813510.db2.gz FRTLZEQQBWVTQY-FUHIMQAGSA-N 2 2 318.505 3.210 20 0 DGADLP COc1c(C)cccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000655811297 435816359 /nfs/dbraw/zinc/81/63/59/435816359.db2.gz SJHASAQDYSFVGS-UHFFFAOYSA-N 2 2 311.429 3.157 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000655816121 435819993 /nfs/dbraw/zinc/81/99/93/435819993.db2.gz OZIWAKQSIWAPBM-KRWDZBQOSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000655816121 435819997 /nfs/dbraw/zinc/81/99/97/435819997.db2.gz OZIWAKQSIWAPBM-KRWDZBQOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472394 435767618 /nfs/dbraw/zinc/76/76/18/435767618.db2.gz JXPBZTZCCOZKDT-GOEBONIOSA-N 2 2 324.415 3.213 20 0 DGADLP CC1(C)CC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000655748326 435768441 /nfs/dbraw/zinc/76/84/41/435768441.db2.gz WXJKBBYRSLGVPY-KRWDZBQOSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CCC[NH+]2CCC2)s1 ZINC000655753816 435776477 /nfs/dbraw/zinc/77/64/77/435776477.db2.gz GFNDNIACPQPJLG-UHFFFAOYSA-N 2 2 303.269 3.004 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756108 435777289 /nfs/dbraw/zinc/77/72/89/435777289.db2.gz NZJTYOCAYUHGOC-RBUKOAKNSA-N 2 2 324.472 3.218 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756108 435777298 /nfs/dbraw/zinc/77/72/98/435777298.db2.gz NZJTYOCAYUHGOC-RBUKOAKNSA-N 2 2 324.472 3.218 20 0 DGADLP C1CCC2(C1)CCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655769855 435785669 /nfs/dbraw/zinc/78/56/69/435785669.db2.gz QQQZPCDBZWQVBP-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cnc(-c3ccccc3)nc2)[C@@H]1C ZINC000641807635 435827678 /nfs/dbraw/zinc/82/76/78/435827678.db2.gz LQQNVJLMVNGQCI-IIDMSEBBSA-N 2 2 310.445 3.091 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@@H]1C ZINC000641807635 435827684 /nfs/dbraw/zinc/82/76/84/435827684.db2.gz LQQNVJLMVNGQCI-IIDMSEBBSA-N 2 2 310.445 3.091 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1[NH3+] ZINC000641802750 435829577 /nfs/dbraw/zinc/82/95/77/435829577.db2.gz OJOYITMHFVLFHZ-UONOGXRCSA-N 2 2 305.809 3.210 20 0 DGADLP CC(C)[N@H+](CC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551387055 435834245 /nfs/dbraw/zinc/83/42/45/435834245.db2.gz NIISTXAJQTWQMT-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[N@@H+](CC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551387055 435834248 /nfs/dbraw/zinc/83/42/48/435834248.db2.gz NIISTXAJQTWQMT-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[NH+](CC1CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551387055 435834252 /nfs/dbraw/zinc/83/42/52/435834252.db2.gz NIISTXAJQTWQMT-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[NH+](CC1CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551387055 435834258 /nfs/dbraw/zinc/83/42/58/435834258.db2.gz NIISTXAJQTWQMT-FQEVSTJZSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000651816510 435838953 /nfs/dbraw/zinc/83/89/53/435838953.db2.gz YDGVHOWAQUGAOK-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000651816510 435838959 /nfs/dbraw/zinc/83/89/59/435838959.db2.gz YDGVHOWAQUGAOK-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000651816510 435838965 /nfs/dbraw/zinc/83/89/65/435838965.db2.gz YDGVHOWAQUGAOK-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000651816510 435838970 /nfs/dbraw/zinc/83/89/70/435838970.db2.gz YDGVHOWAQUGAOK-HXUWFJFHSA-N 2 2 324.472 3.017 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652067 435842719 /nfs/dbraw/zinc/84/27/19/435842719.db2.gz FYRNSVAXVKFZGP-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652067 435842723 /nfs/dbraw/zinc/84/27/23/435842723.db2.gz FYRNSVAXVKFZGP-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652067 435842731 /nfs/dbraw/zinc/84/27/31/435842731.db2.gz FYRNSVAXVKFZGP-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000660652067 435842734 /nfs/dbraw/zinc/84/27/34/435842734.db2.gz FYRNSVAXVKFZGP-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654356 435842806 /nfs/dbraw/zinc/84/28/06/435842806.db2.gz ZTAPSXVOLYQZTD-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654356 435842809 /nfs/dbraw/zinc/84/28/09/435842809.db2.gz ZTAPSXVOLYQZTD-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654356 435842811 /nfs/dbraw/zinc/84/28/11/435842811.db2.gz ZTAPSXVOLYQZTD-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654356 435842812 /nfs/dbraw/zinc/84/28/12/435842812.db2.gz ZTAPSXVOLYQZTD-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1c(F)cccc1Cl)C2 ZINC000660658673 435844425 /nfs/dbraw/zinc/84/44/25/435844425.db2.gz ITGTWXXKJQHSEL-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1c(F)cccc1Cl)C2 ZINC000660658673 435844432 /nfs/dbraw/zinc/84/44/32/435844432.db2.gz ITGTWXXKJQHSEL-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1c(F)cccc1Cl)C2 ZINC000660658673 435844439 /nfs/dbraw/zinc/84/44/39/435844439.db2.gz ITGTWXXKJQHSEL-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1c(F)cccc1Cl)C2 ZINC000660658673 435844446 /nfs/dbraw/zinc/84/44/46/435844446.db2.gz ITGTWXXKJQHSEL-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660159 435847652 /nfs/dbraw/zinc/84/76/52/435847652.db2.gz UXCGPZISOVJRQR-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660159 435847661 /nfs/dbraw/zinc/84/76/61/435847661.db2.gz UXCGPZISOVJRQR-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660159 435847664 /nfs/dbraw/zinc/84/76/64/435847664.db2.gz UXCGPZISOVJRQR-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000660660159 435847665 /nfs/dbraw/zinc/84/76/65/435847665.db2.gz UXCGPZISOVJRQR-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP CC[NH+]1CCC(CNc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000572711113 435858028 /nfs/dbraw/zinc/85/80/28/435858028.db2.gz NAANJKTWZXCRQY-UHFFFAOYSA-N 2 2 309.417 3.255 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000551887411 435858880 /nfs/dbraw/zinc/85/88/80/435858880.db2.gz QGZGIBHNZDYLJV-CYBMUJFWSA-N 2 2 320.868 3.047 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000551887411 435858882 /nfs/dbraw/zinc/85/88/82/435858882.db2.gz QGZGIBHNZDYLJV-CYBMUJFWSA-N 2 2 320.868 3.047 20 0 DGADLP CCN(c1cc[nH+]c(NCc2[nH+]ccn2CC)n1)C1CCCC1 ZINC000551964602 435863603 /nfs/dbraw/zinc/86/36/03/435863603.db2.gz UFKZZMVVUVVDFB-UHFFFAOYSA-N 2 2 314.437 3.074 20 0 DGADLP CCCCC[N@H+](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000651910903 435865469 /nfs/dbraw/zinc/86/54/69/435865469.db2.gz QWFRFPCZFKEJFQ-UHFFFAOYSA-N 2 2 304.478 3.447 20 0 DGADLP CCCCC[N@@H+](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000651910903 435865476 /nfs/dbraw/zinc/86/54/76/435865476.db2.gz QWFRFPCZFKEJFQ-UHFFFAOYSA-N 2 2 304.478 3.447 20 0 DGADLP C[N@H+](Cc1ccccc1OCc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000655941494 435865920 /nfs/dbraw/zinc/86/59/20/435865920.db2.gz VPGYMQNICFCGHM-IBGZPJMESA-N 2 2 310.441 3.435 20 0 DGADLP C[N@@H+](Cc1ccccc1OCc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000655941494 435865928 /nfs/dbraw/zinc/86/59/28/435865928.db2.gz VPGYMQNICFCGHM-IBGZPJMESA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000572868808 435876552 /nfs/dbraw/zinc/87/65/52/435876552.db2.gz ICVRURFXXXWCMJ-PBHICJAKSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@@H](COCC1CC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651983265 435883712 /nfs/dbraw/zinc/88/37/12/435883712.db2.gz VESARQBDUSMVCL-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](COCC1CC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651983265 435883717 /nfs/dbraw/zinc/88/37/17/435883717.db2.gz VESARQBDUSMVCL-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC2(CO)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000652036876 435893529 /nfs/dbraw/zinc/89/35/29/435893529.db2.gz YZBGWNNTYDFVQI-GOSISDBHSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC2(CO)CCC2)C[N@H+]1Cc1ccccc1 ZINC000652036876 435893533 /nfs/dbraw/zinc/89/35/33/435893533.db2.gz YZBGWNNTYDFVQI-GOSISDBHSA-N 2 2 316.489 3.182 20 0 DGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000552572074 435905086 /nfs/dbraw/zinc/90/50/86/435905086.db2.gz YNTHTVFBDMROEF-IKGGRYGDSA-N 2 2 315.461 3.182 20 0 DGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000552572075 435905852 /nfs/dbraw/zinc/90/58/52/435905852.db2.gz YNTHTVFBDMROEF-IXDOHACOSA-N 2 2 315.461 3.182 20 0 DGADLP OC1(CC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCC1 ZINC000660857280 435909033 /nfs/dbraw/zinc/90/90/33/435909033.db2.gz JUIATXJKBIFGSW-UHFFFAOYSA-N 2 2 313.445 3.123 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cnn1-c1cc(C)ccc1C ZINC000665277732 435936313 /nfs/dbraw/zinc/93/63/13/435936313.db2.gz KDRLLDKOBKSFRC-XRTORIHISA-N 2 2 324.472 3.200 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cscn1 ZINC000665240841 435926108 /nfs/dbraw/zinc/92/61/08/435926108.db2.gz UAMWSASKNFNEPZ-RVSPLBMKSA-N 2 2 315.442 3.050 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1sccc1Br ZINC000665248704 435929574 /nfs/dbraw/zinc/92/95/74/435929574.db2.gz ANHMLKFHTBGVKP-SECBINFHSA-N 2 2 303.269 3.433 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CC2(F)F)C1 ZINC000656266490 435930600 /nfs/dbraw/zinc/93/06/00/435930600.db2.gz ZKCOFOXMDQGESN-UHFFFAOYSA-N 2 2 308.416 3.486 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CC2(F)F)C1 ZINC000656266490 435930604 /nfs/dbraw/zinc/93/06/04/435930604.db2.gz ZKCOFOXMDQGESN-UHFFFAOYSA-N 2 2 308.416 3.486 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccoc2)cc1 ZINC000665255680 435930731 /nfs/dbraw/zinc/93/07/31/435930731.db2.gz ZHPGPMKBHBHLPW-CCKFTAQKSA-N 2 2 314.429 3.475 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000665252428 435931367 /nfs/dbraw/zinc/93/13/67/435931367.db2.gz PHFUPGDCXUOTKN-GUDVDZBRSA-N 2 2 307.441 3.194 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC2(C)C)cc1F ZINC000665259999 435932738 /nfs/dbraw/zinc/93/27/38/435932738.db2.gz WKGGZVSTEWSBJJ-JLJPHGGASA-N 2 2 306.425 3.058 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncc1 ZINC000665259056 435932847 /nfs/dbraw/zinc/93/28/47/435932847.db2.gz TWUFWCHNISRQNJ-CEXWTWQISA-N 2 2 313.420 3.407 20 0 DGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258852 435933331 /nfs/dbraw/zinc/93/33/31/435933331.db2.gz NGIZMVGYYOBIFC-FSPWUOQZSA-N 2 2 302.393 3.085 20 0 DGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1OC(F)F ZINC000665278047 435936963 /nfs/dbraw/zinc/93/69/63/435936963.db2.gz TZVGLEIMEXQATO-YLTRJXTNSA-N 2 2 316.779 3.344 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665267477 435934677 /nfs/dbraw/zinc/93/46/77/435934677.db2.gz XIKHHTKWMCPDEJ-OWCLPIDISA-N 2 2 310.388 3.123 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656276405 435934827 /nfs/dbraw/zinc/93/48/27/435934827.db2.gz FVCBCESLQXNLOY-KBAYOESNSA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656276405 435934831 /nfs/dbraw/zinc/93/48/31/435934831.db2.gz FVCBCESLQXNLOY-KBAYOESNSA-N 2 2 300.446 3.159 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665265255 435934889 /nfs/dbraw/zinc/93/48/89/435934889.db2.gz TWDHUZSUXCYUGX-FCLVOEFKSA-N 2 2 318.461 3.036 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652356187 435958795 /nfs/dbraw/zinc/95/87/95/435958795.db2.gz VVIAVRXILQUGDR-CJNGLKHVSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652356187 435958800 /nfs/dbraw/zinc/95/88/00/435958800.db2.gz VVIAVRXILQUGDR-CJNGLKHVSA-N 2 2 318.440 3.145 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000647173165 435959715 /nfs/dbraw/zinc/95/97/15/435959715.db2.gz WYNUHYFSSBFIAO-UHFFFAOYSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170505 435985248 /nfs/dbraw/zinc/98/52/48/435985248.db2.gz XNUKDVYUYLPBPC-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170505 435985252 /nfs/dbraw/zinc/98/52/52/435985252.db2.gz XNUKDVYUYLPBPC-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000665281749 435937454 /nfs/dbraw/zinc/93/74/54/435937454.db2.gz KFMHDIOVBDRXJP-YLJYHZDGSA-N 3 2 317.521 3.045 20 0 DGADLP COC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1F ZINC000665282357 435937865 /nfs/dbraw/zinc/93/78/65/435937865.db2.gz WJPQBGUTGSHNHT-ZIAGYGMSSA-N 2 2 302.821 3.130 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000665297185 435942537 /nfs/dbraw/zinc/94/25/37/435942537.db2.gz AOLAOJFJWGYBOQ-UFBFGSQYSA-N 2 2 303.269 3.159 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000665297182 435942665 /nfs/dbraw/zinc/94/26/65/435942665.db2.gz AOLAOJFJWGYBOQ-PELKAZGASA-N 2 2 303.269 3.159 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000665297160 435943258 /nfs/dbraw/zinc/94/32/58/435943258.db2.gz AFNHRGIYERUEIH-IAQYHMDHSA-N 2 2 311.267 3.414 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000665297184 435943303 /nfs/dbraw/zinc/94/33/03/435943303.db2.gz AOLAOJFJWGYBOQ-QPUJVOFHSA-N 2 2 303.269 3.159 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299172 435943788 /nfs/dbraw/zinc/94/37/88/435943788.db2.gz HYCAUBNILWGHMY-BLLLJJGKSA-N 2 2 323.362 3.149 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1c[nH+]ccc1N ZINC000665299343 435944196 /nfs/dbraw/zinc/94/41/96/435944196.db2.gz KXDAQLXYKAXYIT-GUYCJALGSA-N 2 2 319.412 3.018 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000652355644 435956241 /nfs/dbraw/zinc/95/62/41/435956241.db2.gz BTWYSHGCEHJIRC-ONGXEEELSA-N 2 2 321.412 3.420 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000652355644 435956244 /nfs/dbraw/zinc/95/62/44/435956244.db2.gz BTWYSHGCEHJIRC-ONGXEEELSA-N 2 2 321.412 3.420 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000650711341 435998543 /nfs/dbraw/zinc/99/85/43/435998543.db2.gz QFPDQLZAYLAFRZ-FZMZJTMJSA-N 2 2 301.356 3.050 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000650711341 435998547 /nfs/dbraw/zinc/99/85/47/435998547.db2.gz QFPDQLZAYLAFRZ-FZMZJTMJSA-N 2 2 301.356 3.050 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000656700084 436014340 /nfs/dbraw/zinc/01/43/40/436014340.db2.gz YMTQIOMLDSSYDO-GOSISDBHSA-N 2 2 320.452 3.006 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000656700084 436014344 /nfs/dbraw/zinc/01/43/44/436014344.db2.gz YMTQIOMLDSSYDO-GOSISDBHSA-N 2 2 320.452 3.006 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CCO)c2ccccc2F)CC1 ZINC000647345432 436024250 /nfs/dbraw/zinc/02/42/50/436024250.db2.gz JHEPYDIQTOJRKR-QGZVFWFLSA-N 2 2 308.441 3.102 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349784 436028059 /nfs/dbraw/zinc/02/80/59/436028059.db2.gz HQCKDJODCAXKLX-BOMAWHNGSA-N 2 2 319.468 3.410 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349784 436028061 /nfs/dbraw/zinc/02/80/61/436028061.db2.gz HQCKDJODCAXKLX-BOMAWHNGSA-N 2 2 319.468 3.410 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C3CCSCC3)cn21 ZINC000647364069 436031725 /nfs/dbraw/zinc/03/17/25/436031725.db2.gz RAJRSESWGTVUBV-CQSZACIVSA-N 2 2 303.475 3.307 20 0 DGADLP COCCCCc1ccc[nH+]c1NCc1[nH+]ccn1C(C)C ZINC000656775546 436038289 /nfs/dbraw/zinc/03/82/89/436038289.db2.gz WDCDJWSESZXUPL-UHFFFAOYSA-N 2 2 302.422 3.440 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cn1 ZINC000656788931 436047702 /nfs/dbraw/zinc/04/77/02/436047702.db2.gz JIBMXURNZGDSDC-WOJBJXKFSA-N 2 2 309.457 3.058 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c[nH+]1 ZINC000656788931 436047707 /nfs/dbraw/zinc/04/77/07/436047707.db2.gz JIBMXURNZGDSDC-WOJBJXKFSA-N 3 2 309.457 3.058 20 0 DGADLP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000656788804 436048221 /nfs/dbraw/zinc/04/82/21/436048221.db2.gz GXXLECDMGIEDDH-WOJBJXKFSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1[nH+]c2c(n1Cc1[nH+]ccn1Cc1ccccc1)CCCC2 ZINC000657260627 436107996 /nfs/dbraw/zinc/10/79/96/436107996.db2.gz GJMKWYIKWXBCSP-UHFFFAOYSA-N 2 2 306.413 3.363 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479374 436061031 /nfs/dbraw/zinc/06/10/31/436061031.db2.gz DPHDFXBTYDNADQ-IEBWSBKVSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479374 436061036 /nfs/dbraw/zinc/06/10/36/436061036.db2.gz DPHDFXBTYDNADQ-IEBWSBKVSA-N 2 2 324.472 3.145 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480749 436061306 /nfs/dbraw/zinc/06/13/06/436061306.db2.gz YMOQJMBLDMADCM-UKRRQHHQSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480749 436061307 /nfs/dbraw/zinc/06/13/07/436061307.db2.gz YMOQJMBLDMADCM-UKRRQHHQSA-N 2 2 307.507 3.405 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479929 436061309 /nfs/dbraw/zinc/06/13/09/436061309.db2.gz YFUUQLQZBOCZRI-HTYIOQIQSA-N 2 2 306.400 3.442 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479929 436061311 /nfs/dbraw/zinc/06/13/11/436061311.db2.gz YFUUQLQZBOCZRI-HTYIOQIQSA-N 2 2 306.400 3.442 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479928 436061436 /nfs/dbraw/zinc/06/14/36/436061436.db2.gz YFUUQLQZBOCZRI-GYOZFHMUSA-N 2 2 306.400 3.442 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000647479928 436061442 /nfs/dbraw/zinc/06/14/42/436061442.db2.gz YFUUQLQZBOCZRI-GYOZFHMUSA-N 2 2 306.400 3.442 20 0 DGADLP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1OC ZINC000647482909 436063351 /nfs/dbraw/zinc/06/33/51/436063351.db2.gz IOCYEKNTVUNKOB-UHFFFAOYSA-N 2 2 324.852 3.074 20 0 DGADLP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1OC ZINC000647482909 436063356 /nfs/dbraw/zinc/06/33/56/436063356.db2.gz IOCYEKNTVUNKOB-UHFFFAOYSA-N 2 2 324.852 3.074 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1[NH3+] ZINC000647498128 436065730 /nfs/dbraw/zinc/06/57/30/436065730.db2.gz AYAOJRWHSONFHL-DGCLKSJQSA-N 2 2 307.488 3.431 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1[NH3+] ZINC000647498128 436065736 /nfs/dbraw/zinc/06/57/36/436065736.db2.gz AYAOJRWHSONFHL-DGCLKSJQSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509007 436068561 /nfs/dbraw/zinc/06/85/61/436068561.db2.gz FMPZZGWXFOIKQO-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509007 436068562 /nfs/dbraw/zinc/06/85/62/436068562.db2.gz FMPZZGWXFOIKQO-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534391 436076289 /nfs/dbraw/zinc/07/62/89/436076289.db2.gz MMNGXWFQSGKHSH-INWMFGNUSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534391 436076292 /nfs/dbraw/zinc/07/62/92/436076292.db2.gz MMNGXWFQSGKHSH-INWMFGNUSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc(COCc3ccccc3)c2)C1 ZINC000647549430 436079882 /nfs/dbraw/zinc/07/98/82/436079882.db2.gz ZKKWXSJEOFIFDP-UTKZUKDTSA-N 2 2 324.468 3.491 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000647549334 436081263 /nfs/dbraw/zinc/08/12/63/436081263.db2.gz URUGRBFQGVZQMN-LAUBAEHRSA-N 2 2 324.468 3.491 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000647550728 436083744 /nfs/dbraw/zinc/08/37/44/436083744.db2.gz FANGDGOEYAEGCL-DZGCQCFKSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647803754 436126545 /nfs/dbraw/zinc/12/65/45/436126545.db2.gz AOFHSWRRKPVPOO-XJKSGUPXSA-N 2 2 308.853 3.076 20 0 DGADLP Fc1ccc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1 ZINC000647815006 436127378 /nfs/dbraw/zinc/12/73/78/436127378.db2.gz KUWVYOOOWVBIQC-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Fc1ccc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1 ZINC000647815006 436127385 /nfs/dbraw/zinc/12/73/85/436127385.db2.gz KUWVYOOOWVBIQC-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)on2)cc1 ZINC000647814823 436128184 /nfs/dbraw/zinc/12/81/84/436128184.db2.gz HPOLCUUBSSCAPE-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)on2)cc1 ZINC000647814823 436128189 /nfs/dbraw/zinc/12/81/89/436128189.db2.gz HPOLCUUBSSCAPE-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1cc(CO)cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)[nH+]1 ZINC000647854237 436133618 /nfs/dbraw/zinc/13/36/18/436133618.db2.gz GTJDJRAFVCKQNG-GOSISDBHSA-N 2 2 311.429 3.131 20 0 DGADLP Fc1cc(CNc2[nH+]ccc3[nH]ccc32)ccc1-n1cc[nH+]c1 ZINC000647858873 436137184 /nfs/dbraw/zinc/13/71/84/436137184.db2.gz LSEZMUZKPUVCAS-UHFFFAOYSA-N 2 2 307.332 3.500 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000651211889 436139876 /nfs/dbraw/zinc/13/98/76/436139876.db2.gz IHSHGMILUFJEEI-LJQANCHMSA-N 3 2 307.526 3.103 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881198 436139867 /nfs/dbraw/zinc/13/98/67/436139867.db2.gz RSYFYJACKAWBQX-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881198 436139875 /nfs/dbraw/zinc/13/98/75/436139875.db2.gz RSYFYJACKAWBQX-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP Cc1cc(Cl)ccc1OCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657328275 436139987 /nfs/dbraw/zinc/13/99/87/436139987.db2.gz VCSJYGRCBCEWKP-UHFFFAOYSA-N 2 2 319.836 3.350 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000647903468 436144103 /nfs/dbraw/zinc/14/41/03/436144103.db2.gz JQKXJALWMAFJEV-SWLSCSKDSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000647903468 436144108 /nfs/dbraw/zinc/14/41/08/436144108.db2.gz JQKXJALWMAFJEV-SWLSCSKDSA-N 2 2 313.367 3.064 20 0 DGADLP Cc1[nH+]cc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)n1C ZINC000657345393 436148981 /nfs/dbraw/zinc/14/89/81/436148981.db2.gz OQRSGEZSPGBLNG-LJQANCHMSA-N 2 2 312.461 3.045 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931130 436151223 /nfs/dbraw/zinc/15/12/23/436151223.db2.gz INDGJAPMTWICJO-ICSRJNTNSA-N 2 2 314.473 3.251 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931130 436151229 /nfs/dbraw/zinc/15/12/29/436151229.db2.gz INDGJAPMTWICJO-ICSRJNTNSA-N 2 2 314.473 3.251 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000647934408 436153423 /nfs/dbraw/zinc/15/34/23/436153423.db2.gz DQTQKYCTHKSLQF-SUMWQHHRSA-N 2 2 318.852 3.085 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000647934408 436153428 /nfs/dbraw/zinc/15/34/28/436153428.db2.gz DQTQKYCTHKSLQF-SUMWQHHRSA-N 2 2 318.852 3.085 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000653120253 436113850 /nfs/dbraw/zinc/11/38/50/436113850.db2.gz LRERIWOLFFDHEI-AWEZNQCLSA-N 2 2 311.385 3.202 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657283262 436114234 /nfs/dbraw/zinc/11/42/34/436114234.db2.gz CZFFZHXCUYJZHY-UHFFFAOYSA-N 2 2 304.356 3.249 20 0 DGADLP CC[NH+](CC)[C@H](CNCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657286826 436114764 /nfs/dbraw/zinc/11/47/64/436114764.db2.gz SLDKJPRFTWOUBI-GOSISDBHSA-N 2 2 312.461 3.002 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657285688 436115613 /nfs/dbraw/zinc/11/56/13/436115613.db2.gz MTGXIRQEPZUBBU-UHFFFAOYSA-N 2 2 304.356 3.249 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000657299336 436122729 /nfs/dbraw/zinc/12/27/29/436122729.db2.gz UJFXONOVKCQPNX-ZDUSSCGKSA-N 2 2 324.428 3.029 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657364905 436161196 /nfs/dbraw/zinc/16/11/96/436161196.db2.gz CCRGOCOURWHLID-MRXNPFEDSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC(NCc2c[nH+]c3n2CCC3)CC1 ZINC000657364905 436161203 /nfs/dbraw/zinc/16/12/03/436161203.db2.gz CCRGOCOURWHLID-MRXNPFEDSA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@H]1[NH3+] ZINC000647939941 436154792 /nfs/dbraw/zinc/15/47/92/436154792.db2.gz GYSVPVBQGNFNQU-DOTOQJQBSA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@H]1[NH3+] ZINC000647939941 436154795 /nfs/dbraw/zinc/15/47/95/436154795.db2.gz GYSVPVBQGNFNQU-DOTOQJQBSA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647939943 436155125 /nfs/dbraw/zinc/15/51/25/436155125.db2.gz GYSVPVBQGNFNQU-RDJZCZTQSA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647939943 436155131 /nfs/dbraw/zinc/15/51/31/436155131.db2.gz GYSVPVBQGNFNQU-RDJZCZTQSA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@H]1[NH3+] ZINC000647938790 436155290 /nfs/dbraw/zinc/15/52/90/436155290.db2.gz VBPJTMYQIQKNMB-ZMSDIMECSA-N 2 2 317.477 3.196 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@H]1[NH3+] ZINC000647938790 436155296 /nfs/dbraw/zinc/15/52/96/436155296.db2.gz VBPJTMYQIQKNMB-ZMSDIMECSA-N 2 2 317.477 3.196 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000647938934 436156213 /nfs/dbraw/zinc/15/62/13/436156213.db2.gz XFRXHHZFOHNKFE-GUTXKFCHSA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000647938934 436156220 /nfs/dbraw/zinc/15/62/20/436156220.db2.gz XFRXHHZFOHNKFE-GUTXKFCHSA-N 2 2 323.868 3.035 20 0 DGADLP CC(C)n1ccnc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657382280 436167442 /nfs/dbraw/zinc/16/74/42/436167442.db2.gz CFLXZEMXYIALGI-UHFFFAOYSA-N 2 2 304.482 3.351 20 0 DGADLP c1cn(CCCC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c[nH+]1 ZINC000647989155 436169733 /nfs/dbraw/zinc/16/97/33/436169733.db2.gz PQKVOFJXNZQTRL-UHFFFAOYSA-N 3 2 318.509 3.155 20 0 DGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427866479 301210824 /nfs/dbraw/zinc/21/08/24/301210824.db2.gz LCYGYNHWTXKJQZ-RDJZCZTQSA-N 2 2 311.429 3.318 20 0 DGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427866477 301213554 /nfs/dbraw/zinc/21/35/54/301213554.db2.gz LCYGYNHWTXKJQZ-DOTOQJQBSA-N 2 2 311.429 3.318 20 0 DGADLP FC(F)(F)[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387136 436174267 /nfs/dbraw/zinc/17/42/67/436174267.db2.gz RNWUAUACXJMBRG-AAEUAGOBSA-N 2 2 301.356 3.288 20 0 DGADLP C[C@@H](CCCCO)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000651358899 436174964 /nfs/dbraw/zinc/17/49/64/436174964.db2.gz OGCBRIGJJMJRFP-ZDUSSCGKSA-N 2 2 307.825 3.166 20 0 DGADLP Clc1cc(NCc2c[nH+]c3n2CCC3)ccc1-n1cc[nH+]c1 ZINC000657409227 436184859 /nfs/dbraw/zinc/18/48/59/436184859.db2.gz ZGOAGHZAFKBBMS-UHFFFAOYSA-N 2 2 313.792 3.281 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(-c3ccccn3)c1)CCC2 ZINC000657412244 436185581 /nfs/dbraw/zinc/18/55/81/436185581.db2.gz GKHDMMDGXWGPLK-UHFFFAOYSA-N 2 2 304.397 3.181 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657524890 436233495 /nfs/dbraw/zinc/23/34/95/436233495.db2.gz NMXHKIVVFKUOIA-INIZCTEOSA-N 2 2 313.445 3.206 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524890 436233500 /nfs/dbraw/zinc/23/35/00/436233500.db2.gz NMXHKIVVFKUOIA-INIZCTEOSA-N 2 2 313.445 3.206 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657523767 436234416 /nfs/dbraw/zinc/23/44/16/436234416.db2.gz IPGIYUSFDHNUKJ-NEWSRXKRSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657523767 436234420 /nfs/dbraw/zinc/23/44/20/436234420.db2.gz IPGIYUSFDHNUKJ-NEWSRXKRSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523767 436234425 /nfs/dbraw/zinc/23/44/25/436234425.db2.gz IPGIYUSFDHNUKJ-NEWSRXKRSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523767 436234429 /nfs/dbraw/zinc/23/44/29/436234429.db2.gz IPGIYUSFDHNUKJ-NEWSRXKRSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657523771 436235420 /nfs/dbraw/zinc/23/54/20/436235420.db2.gz IPGIYUSFDHNUKJ-QRQLOZEOSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657523771 436235424 /nfs/dbraw/zinc/23/54/24/436235424.db2.gz IPGIYUSFDHNUKJ-QRQLOZEOSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523771 436235427 /nfs/dbraw/zinc/23/54/27/436235427.db2.gz IPGIYUSFDHNUKJ-QRQLOZEOSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523771 436235432 /nfs/dbraw/zinc/23/54/32/436235432.db2.gz IPGIYUSFDHNUKJ-QRQLOZEOSA-N 2 2 315.505 3.112 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531772 436236939 /nfs/dbraw/zinc/23/69/39/436236939.db2.gz YHYRDGHEGPXWRD-SJORKVTESA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CO1 ZINC000657531772 436236943 /nfs/dbraw/zinc/23/69/43/436236943.db2.gz YHYRDGHEGPXWRD-SJORKVTESA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000648030743 436188293 /nfs/dbraw/zinc/18/82/93/436188293.db2.gz PVHTZVYYPBCAQA-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000648030743 436188296 /nfs/dbraw/zinc/18/82/96/436188296.db2.gz PVHTZVYYPBCAQA-UHFFFAOYSA-N 2 2 312.461 3.098 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1C ZINC000657427119 436194612 /nfs/dbraw/zinc/19/46/12/436194612.db2.gz OUYPFYNNLYYKIS-JKSUJKDBSA-N 2 2 305.809 3.002 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCCc1c[nH+]cn1C)CC3 ZINC000653578322 436214105 /nfs/dbraw/zinc/21/41/05/436214105.db2.gz DULTXLSUIXAXIW-UHFFFAOYSA-N 2 2 308.429 3.201 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCc1c[nH+]cn1C)CC3 ZINC000653578322 436214107 /nfs/dbraw/zinc/21/41/07/436214107.db2.gz DULTXLSUIXAXIW-UHFFFAOYSA-N 2 2 308.429 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000653589867 436217014 /nfs/dbraw/zinc/21/70/14/436217014.db2.gz AKKPAACYRZYYJP-ZDUSSCGKSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000653589867 436217018 /nfs/dbraw/zinc/21/70/18/436217018.db2.gz AKKPAACYRZYYJP-ZDUSSCGKSA-N 2 2 305.372 3.120 20 0 DGADLP CCc1ccc([C@H](CNCc2[nH]cc(C)[nH+]2)[NH+](CC)CC)cc1 ZINC000657473865 436217240 /nfs/dbraw/zinc/21/72/40/436217240.db2.gz SMEUAAPCAFXQPW-SFHVURJKSA-N 2 2 314.477 3.453 20 0 DGADLP COCCCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657522592 436232165 /nfs/dbraw/zinc/23/21/65/436232165.db2.gz CCVBXCLDZCTTCA-QGZVFWFLSA-N 2 2 320.477 3.064 20 0 DGADLP COCCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657522592 436232169 /nfs/dbraw/zinc/23/21/69/436232169.db2.gz CCVBXCLDZCTTCA-QGZVFWFLSA-N 2 2 320.477 3.064 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000657737176 436291361 /nfs/dbraw/zinc/29/13/61/436291361.db2.gz IOSKCPVOKOKHGR-KBMXLJTQSA-N 2 2 308.416 3.388 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000657737176 436291366 /nfs/dbraw/zinc/29/13/66/436291366.db2.gz IOSKCPVOKOKHGR-KBMXLJTQSA-N 2 2 308.416 3.388 20 0 DGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657751861 436295709 /nfs/dbraw/zinc/29/57/09/436295709.db2.gz MGGFURINIHCNNG-QXAKKESOSA-N 2 2 308.510 3.434 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)cs2)cc1 ZINC000666872503 436297774 /nfs/dbraw/zinc/29/77/74/436297774.db2.gz ABECXBUJRLHSSZ-OCCSQVGLSA-N 2 2 317.458 3.049 20 0 DGADLP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657561355 436245587 /nfs/dbraw/zinc/24/55/87/436245587.db2.gz IHHOBZUCPXQSHX-AWEZNQCLSA-N 2 2 322.415 3.198 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000666617836 436255649 /nfs/dbraw/zinc/25/56/49/436255649.db2.gz PZQIWZDISRLUGJ-CABCVRRESA-N 2 2 301.434 3.381 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000666617836 436255651 /nfs/dbraw/zinc/25/56/51/436255651.db2.gz PZQIWZDISRLUGJ-CABCVRRESA-N 2 2 301.434 3.381 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653742893 436255846 /nfs/dbraw/zinc/25/58/46/436255846.db2.gz JCGDTZYTNWMGOL-WBMJQRKESA-N 2 2 312.417 3.182 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653910165 436296967 /nfs/dbraw/zinc/29/69/67/436296967.db2.gz UTADVCUBYAYCFV-ZWKOTPCHSA-N 2 2 313.445 3.422 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653910165 436296972 /nfs/dbraw/zinc/29/69/72/436296972.db2.gz UTADVCUBYAYCFV-ZWKOTPCHSA-N 2 2 313.445 3.422 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1C ZINC000657626890 436263045 /nfs/dbraw/zinc/26/30/45/436263045.db2.gz RUSVWVCZIPTIPD-UHFFFAOYSA-N 2 2 323.484 3.495 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)n2c1 ZINC000657655113 436269701 /nfs/dbraw/zinc/26/97/01/436269701.db2.gz CEHRSTHNWVUOAP-HKUYNNGSSA-N 2 2 321.424 3.305 20 0 DGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666721208 436271282 /nfs/dbraw/zinc/27/12/82/436271282.db2.gz ANFWCHYLWYFDNP-LIRRHRJNSA-N 2 2 314.404 3.326 20 0 DGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666721208 436271285 /nfs/dbraw/zinc/27/12/85/436271285.db2.gz ANFWCHYLWYFDNP-LIRRHRJNSA-N 2 2 314.404 3.326 20 0 DGADLP c1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678679 436277588 /nfs/dbraw/zinc/27/75/88/436277588.db2.gz UBXOLBWAWNDRGB-ROUUACIJSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678679 436277591 /nfs/dbraw/zinc/27/75/91/436277591.db2.gz UBXOLBWAWNDRGB-ROUUACIJSA-N 2 2 313.489 3.262 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1Oc1cccnc1 ZINC000666768784 436278312 /nfs/dbraw/zinc/27/83/12/436278312.db2.gz MQVHFGMEFOCRCW-QGZVFWFLSA-N 2 2 311.429 3.414 20 0 DGADLP Clc1sc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Br ZINC000666770724 436279580 /nfs/dbraw/zinc/27/95/80/436279580.db2.gz UBAWUCQAIUQIGG-QMMMGPOBSA-N 2 2 323.687 3.396 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000657694380 436281103 /nfs/dbraw/zinc/28/11/03/436281103.db2.gz LFNMRUJBQCQYKA-INDMIFKZSA-N 2 2 308.510 3.292 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C1 ZINC000657786939 436305158 /nfs/dbraw/zinc/30/51/58/436305158.db2.gz YTHJQBNFGHMNDU-KBAYOESNSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C1 ZINC000657786939 436305162 /nfs/dbraw/zinc/30/51/62/436305162.db2.gz YTHJQBNFGHMNDU-KBAYOESNSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3[C@@H]4Cc5cc(F)ccc5[C@@H]43)n2c1 ZINC000657791862 436306640 /nfs/dbraw/zinc/30/66/40/436306640.db2.gz WOUGDVUHWATHNZ-NZSAHSFTSA-N 2 2 307.372 3.210 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000662247687 436310261 /nfs/dbraw/zinc/31/02/61/436310261.db2.gz JTROZECFAPQJJR-ZDUSSCGKSA-N 2 2 304.356 3.232 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000662247687 436310267 /nfs/dbraw/zinc/31/02/67/436310267.db2.gz JTROZECFAPQJJR-ZDUSSCGKSA-N 2 2 304.356 3.232 20 0 DGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947777 436312471 /nfs/dbraw/zinc/31/24/71/436312471.db2.gz HRWDHEADYRSRGZ-DCAQKATOSA-N 2 2 305.224 3.214 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1-c1cccs1 ZINC000666945607 436312965 /nfs/dbraw/zinc/31/29/65/436312965.db2.gz ZYXZMVYPBRTQIE-STQMWFEESA-N 2 2 308.397 3.344 20 0 DGADLP Clc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662255482 436315273 /nfs/dbraw/zinc/31/52/73/436315273.db2.gz PYUQTTCGISZPNZ-DLBZAZTESA-N 2 2 308.853 3.246 20 0 DGADLP Clc1ccc([C@H]2CCCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662255482 436315277 /nfs/dbraw/zinc/31/52/77/436315277.db2.gz PYUQTTCGISZPNZ-DLBZAZTESA-N 2 2 308.853 3.246 20 0 DGADLP CCOC1CCC([NH2+]CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000657823929 436318455 /nfs/dbraw/zinc/31/84/55/436318455.db2.gz MBLDBIIDLMEQSM-UHFFFAOYSA-N 2 2 301.434 3.282 20 0 DGADLP CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000657822468 436318641 /nfs/dbraw/zinc/31/86/41/436318641.db2.gz SNRJGUYKDIUFOY-JLAWEPINSA-N 2 2 302.462 3.198 20 0 DGADLP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000657822468 436318644 /nfs/dbraw/zinc/31/86/44/436318644.db2.gz SNRJGUYKDIUFOY-JLAWEPINSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657828335 436319810 /nfs/dbraw/zinc/31/98/10/436319810.db2.gz SCCXPTPFYTZAFQ-RBUKOAKNSA-N 2 2 314.473 3.125 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000657828335 436319813 /nfs/dbraw/zinc/31/98/13/436319813.db2.gz SCCXPTPFYTZAFQ-RBUKOAKNSA-N 2 2 314.473 3.125 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C(F)F)nc1 ZINC000657834469 436320893 /nfs/dbraw/zinc/32/08/93/436320893.db2.gz KDBUAODTTZBZLZ-LBPRGKRZSA-N 2 2 320.387 3.445 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662272891 436322489 /nfs/dbraw/zinc/32/24/89/436322489.db2.gz KFMGFGMIYMJJBR-OAHLLOKOSA-N 2 2 323.234 3.366 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662272891 436322492 /nfs/dbraw/zinc/32/24/92/436322492.db2.gz KFMGFGMIYMJJBR-OAHLLOKOSA-N 2 2 323.234 3.366 20 0 DGADLP Fc1ccc(SCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000662277991 436322510 /nfs/dbraw/zinc/32/25/10/436322510.db2.gz UKPWVARBTCJCTM-MRXNPFEDSA-N 2 2 312.429 3.132 20 0 DGADLP Fc1ccc(SCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000662277991 436322514 /nfs/dbraw/zinc/32/25/14/436322514.db2.gz UKPWVARBTCJCTM-MRXNPFEDSA-N 2 2 312.429 3.132 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2OC(F)F)C[C@H]1C[NH3+] ZINC000662283092 436323681 /nfs/dbraw/zinc/32/36/81/436323681.db2.gz KNQCWHKMKFPNOS-NQBHXWOUSA-N 2 2 316.367 3.232 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(F)c2OC(F)F)C[C@H]1C[NH3+] ZINC000662283092 436323683 /nfs/dbraw/zinc/32/36/83/436323683.db2.gz KNQCWHKMKFPNOS-NQBHXWOUSA-N 2 2 316.367 3.232 20 0 DGADLP Cc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326557 436330009 /nfs/dbraw/zinc/33/00/09/436330009.db2.gz WATJOERJQCGNCC-HNNXBMFYSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cccc(Cl)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326557 436330010 /nfs/dbraw/zinc/33/00/10/436330010.db2.gz WATJOERJQCGNCC-HNNXBMFYSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321337 436330504 /nfs/dbraw/zinc/33/05/04/436330504.db2.gz BNRPYUWSMPTSRR-KRWDZBQOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321337 436330508 /nfs/dbraw/zinc/33/05/08/436330508.db2.gz BNRPYUWSMPTSRR-KRWDZBQOSA-N 2 2 310.869 3.191 20 0 DGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657867626 436330747 /nfs/dbraw/zinc/33/07/47/436330747.db2.gz IFESLLPTAHLECD-ZFWWWQNUSA-N 2 2 319.474 3.058 20 0 DGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657867626 436330751 /nfs/dbraw/zinc/33/07/51/436330751.db2.gz IFESLLPTAHLECD-ZFWWWQNUSA-N 2 2 319.474 3.058 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324422 436331321 /nfs/dbraw/zinc/33/13/21/436331321.db2.gz XQVNJWDVLHHBPE-HIFRSBDPSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324422 436331325 /nfs/dbraw/zinc/33/13/25/436331325.db2.gz XQVNJWDVLHHBPE-HIFRSBDPSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897689 436335047 /nfs/dbraw/zinc/33/50/47/436335047.db2.gz VBZRYBDJISBPFJ-YOEHRIQHSA-N 2 2 307.401 3.255 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055419 436360265 /nfs/dbraw/zinc/36/02/65/436360265.db2.gz IVJDWOGVTGAUBA-PKOBYXMFSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055419 436360269 /nfs/dbraw/zinc/36/02/69/436360269.db2.gz IVJDWOGVTGAUBA-PKOBYXMFSA-N 2 2 316.489 3.479 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055391 436360343 /nfs/dbraw/zinc/36/03/43/436360343.db2.gz IFINOQFFGQTLOA-UKRRQHHQSA-N 2 2 307.457 3.415 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658058834 436360821 /nfs/dbraw/zinc/36/08/21/436360821.db2.gz UZYSSIFCGMSVLI-GDBMZVCRSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658058834 436360823 /nfs/dbraw/zinc/36/08/23/436360823.db2.gz UZYSSIFCGMSVLI-GDBMZVCRSA-N 2 2 320.477 3.097 20 0 DGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)n1 ZINC000658059823 436361118 /nfs/dbraw/zinc/36/11/18/436361118.db2.gz XIBDGANZMDCTQN-NRXISQOPSA-N 2 2 320.481 3.121 20 0 DGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3CC[N@H+]3C(C)(C)C)CC2)n1 ZINC000658059823 436361120 /nfs/dbraw/zinc/36/11/20/436361120.db2.gz XIBDGANZMDCTQN-NRXISQOPSA-N 2 2 320.481 3.121 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658058837 436361132 /nfs/dbraw/zinc/36/11/32/436361132.db2.gz UZYSSIFCGMSVLI-ZBFHGGJFSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658058837 436361133 /nfs/dbraw/zinc/36/11/33/436361133.db2.gz UZYSSIFCGMSVLI-ZBFHGGJFSA-N 2 2 320.477 3.097 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000658062712 436363770 /nfs/dbraw/zinc/36/37/70/436363770.db2.gz GUPPZQFWVDBQMB-UWVAXJGDSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000658062712 436363771 /nfs/dbraw/zinc/36/37/71/436363771.db2.gz GUPPZQFWVDBQMB-UWVAXJGDSA-N 2 2 324.472 3.080 20 0 DGADLP CCc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)n1 ZINC000658090365 436372458 /nfs/dbraw/zinc/37/24/58/436372458.db2.gz GQYOTUDRQJNADB-NRXISQOPSA-N 2 2 320.481 3.121 20 0 DGADLP CCc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C(C)(C)C)C3)CC2)n1 ZINC000658090365 436372461 /nfs/dbraw/zinc/37/24/61/436372461.db2.gz GQYOTUDRQJNADB-NRXISQOPSA-N 2 2 320.481 3.121 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093012 436373708 /nfs/dbraw/zinc/37/37/08/436373708.db2.gz SVCCLENLNOOLEO-HKUYNNGSSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093012 436373712 /nfs/dbraw/zinc/37/37/12/436373712.db2.gz SVCCLENLNOOLEO-HKUYNNGSSA-N 2 2 316.489 3.479 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658125644 436381618 /nfs/dbraw/zinc/38/16/18/436381618.db2.gz IPQDLOZTDLKSJW-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658125644 436381621 /nfs/dbraw/zinc/38/16/21/436381621.db2.gz IPQDLOZTDLKSJW-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238029 436407862 /nfs/dbraw/zinc/40/78/62/436407862.db2.gz PMOCTWQJBRXBFC-IPHXSNPTSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658238029 436407865 /nfs/dbraw/zinc/40/78/65/436407865.db2.gz PMOCTWQJBRXBFC-IPHXSNPTSA-N 2 2 322.452 3.490 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658022699 436356099 /nfs/dbraw/zinc/35/60/99/436356099.db2.gz CUWPXLBLHIOKNW-ZDUSSCGKSA-N 2 2 317.820 3.327 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056036 436360193 /nfs/dbraw/zinc/36/01/93/436360193.db2.gz KGKVXVPHSIXIHI-RDJZCZTQSA-N 2 2 304.478 3.479 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056036 436360198 /nfs/dbraw/zinc/36/01/98/436360198.db2.gz KGKVXVPHSIXIHI-RDJZCZTQSA-N 2 2 304.478 3.479 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1nccn1C ZINC000658335520 436433250 /nfs/dbraw/zinc/43/32/50/436433250.db2.gz ASZCNNSDNJTJOV-VYDXJSESSA-N 2 2 304.482 3.114 20 0 DGADLP CCc1ccc([C@H](CNc2cc(CO)cc(C)[nH+]2)[NH+](C)C)cc1 ZINC000663329007 436439818 /nfs/dbraw/zinc/43/98/18/436439818.db2.gz UOICROHMOSAWGP-SFHVURJKSA-N 2 2 313.445 3.160 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658252309 436412354 /nfs/dbraw/zinc/41/23/54/436412354.db2.gz JFCZREACBXSDAR-BSWAZPDLSA-N 2 2 306.494 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000658252309 436412357 /nfs/dbraw/zinc/41/23/57/436412357.db2.gz JFCZREACBXSDAR-BSWAZPDLSA-N 2 2 306.494 3.185 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280536 436415732 /nfs/dbraw/zinc/41/57/32/436415732.db2.gz JKDYTWPQTQFLEN-BMFZPTHFSA-N 2 2 323.431 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280536 436415733 /nfs/dbraw/zinc/41/57/33/436415733.db2.gz JKDYTWPQTQFLEN-BMFZPTHFSA-N 2 2 323.431 3.173 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658283220 436417491 /nfs/dbraw/zinc/41/74/91/436417491.db2.gz AYVBFMDGLDEEQO-WDSOQIARSA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658283220 436417495 /nfs/dbraw/zinc/41/74/95/436417495.db2.gz AYVBFMDGLDEEQO-WDSOQIARSA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286380 436418282 /nfs/dbraw/zinc/41/82/82/436418282.db2.gz RVDLZWQSWDKDDB-MJGOQNOKSA-N 2 2 302.462 3.090 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000658286380 436418285 /nfs/dbraw/zinc/41/82/85/436418285.db2.gz RVDLZWQSWDKDDB-MJGOQNOKSA-N 2 2 302.462 3.090 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000663512971 436472942 /nfs/dbraw/zinc/47/29/42/436472942.db2.gz IAQVJMSUHBVZPU-AWEZNQCLSA-N 2 2 318.411 3.316 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000663736488 436499580 /nfs/dbraw/zinc/49/95/80/436499580.db2.gz XKBCUCQDLKQBBC-AUUYWEPGSA-N 2 2 322.456 3.270 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000663736488 436499582 /nfs/dbraw/zinc/49/95/82/436499582.db2.gz XKBCUCQDLKQBBC-AUUYWEPGSA-N 2 2 322.456 3.270 20 0 DGADLP c1cc2c(cc[nH+]c2N2CCC(CCCn3cc[nH+]c3)CC2)[nH]1 ZINC000663793228 436509273 /nfs/dbraw/zinc/50/92/73/436509273.db2.gz RZRUVNPYNJUSHI-UHFFFAOYSA-N 2 2 309.417 3.456 20 0 DGADLP Cc1cc(N2CCC([NH2+]Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000663959700 436533669 /nfs/dbraw/zinc/53/36/69/436533669.db2.gz OPPFJJAHVGCUBA-UHFFFAOYSA-N 2 2 322.456 3.421 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CC[N@@H+](C(C)(C)C)C3)c2c1C ZINC000664137417 436562776 /nfs/dbraw/zinc/56/27/76/436562776.db2.gz PUDJULSCMZZCJZ-ZDUSSCGKSA-N 2 2 301.438 3.107 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CC[N@H+](C(C)(C)C)C3)c2c1C ZINC000664137417 436562781 /nfs/dbraw/zinc/56/27/81/436562781.db2.gz PUDJULSCMZZCJZ-ZDUSSCGKSA-N 2 2 301.438 3.107 20 0 DGADLP c1ccc2nc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000659943578 436565551 /nfs/dbraw/zinc/56/55/51/436565551.db2.gz CPNHMTWUELIOMW-KRWDZBQOSA-N 2 2 310.445 3.080 20 0 DGADLP c1ccc2nc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000659943578 436565554 /nfs/dbraw/zinc/56/55/54/436565554.db2.gz CPNHMTWUELIOMW-KRWDZBQOSA-N 2 2 310.445 3.080 20 0 DGADLP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000659954738 436568370 /nfs/dbraw/zinc/56/83/70/436568370.db2.gz ASWXMSWEDOIMKM-SFHVURJKSA-N 2 2 316.489 3.138 20 0 DGADLP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000659954738 436568372 /nfs/dbraw/zinc/56/83/72/436568372.db2.gz ASWXMSWEDOIMKM-SFHVURJKSA-N 2 2 316.489 3.138 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@@H+]1C ZINC000659984834 436573464 /nfs/dbraw/zinc/57/34/64/436573464.db2.gz VVEFKIAXLXLNLN-YPMHNXCESA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2OC(F)F)CC[N@H+]1C ZINC000659984834 436573466 /nfs/dbraw/zinc/57/34/66/436573466.db2.gz VVEFKIAXLXLNLN-YPMHNXCESA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984834 436573468 /nfs/dbraw/zinc/57/34/68/436573468.db2.gz VVEFKIAXLXLNLN-YPMHNXCESA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2OC(F)F)CC[NH+]1C ZINC000659984834 436573471 /nfs/dbraw/zinc/57/34/71/436573471.db2.gz VVEFKIAXLXLNLN-YPMHNXCESA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000655684195 436574428 /nfs/dbraw/zinc/57/44/28/436574428.db2.gz ZQPCBHJRSYWQFM-WMLDXEAASA-N 2 2 314.429 3.337 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655688890 436576452 /nfs/dbraw/zinc/57/64/52/436576452.db2.gz AJOXRCOXPKLCLM-MRXNPFEDSA-N 2 2 309.417 3.056 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000660130547 436593294 /nfs/dbraw/zinc/59/32/94/436593294.db2.gz YGOBJLXXKABGFO-GFCCVEGCSA-N 2 2 323.412 3.280 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2nsc3ccccc23)C1 ZINC000660128441 436593562 /nfs/dbraw/zinc/59/35/62/436593562.db2.gz MGPFULIBXHMAJE-ZDUSSCGKSA-N 2 2 312.442 3.062 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2nsc3ccccc23)C1 ZINC000660128441 436593564 /nfs/dbraw/zinc/59/35/64/436593564.db2.gz MGPFULIBXHMAJE-ZDUSSCGKSA-N 2 2 312.442 3.062 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000664405131 436596761 /nfs/dbraw/zinc/59/67/61/436596761.db2.gz ZRAFQOGCSRZTDE-OAHLLOKOSA-N 2 2 300.450 3.481 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc(C2CC2)[nH+]1 ZINC000664405131 436596764 /nfs/dbraw/zinc/59/67/64/436596764.db2.gz ZRAFQOGCSRZTDE-OAHLLOKOSA-N 2 2 300.450 3.481 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000660177626 436599524 /nfs/dbraw/zinc/59/95/24/436599524.db2.gz DEGGAHBLPIIRSI-WCQYABFASA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000660177626 436599525 /nfs/dbraw/zinc/59/95/25/436599525.db2.gz DEGGAHBLPIIRSI-WCQYABFASA-N 2 2 319.276 3.345 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660199735 436603866 /nfs/dbraw/zinc/60/38/66/436603866.db2.gz CMFILKXXHXVHKM-AEFFLSMTSA-N 2 2 322.493 3.073 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660199735 436603867 /nfs/dbraw/zinc/60/38/67/436603867.db2.gz CMFILKXXHXVHKM-AEFFLSMTSA-N 2 2 322.493 3.073 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000660256638 436614590 /nfs/dbraw/zinc/61/45/90/436614590.db2.gz MNVFQPUTKRCQDR-ZSYWTGECSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000660256638 436614593 /nfs/dbraw/zinc/61/45/93/436614593.db2.gz MNVFQPUTKRCQDR-ZSYWTGECSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256638 436614595 /nfs/dbraw/zinc/61/45/95/436614595.db2.gz MNVFQPUTKRCQDR-ZSYWTGECSA-N 3 2 321.553 3.207 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256638 436614598 /nfs/dbraw/zinc/61/45/98/436614598.db2.gz MNVFQPUTKRCQDR-ZSYWTGECSA-N 3 2 321.553 3.207 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CCC2 ZINC000344100626 302324968 /nfs/dbraw/zinc/32/49/68/302324968.db2.gz LBVRGLSXUBUNAN-YLFCFFPRSA-N 2 2 315.461 3.006 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000174511192 312763710 /nfs/dbraw/zinc/76/37/10/312763710.db2.gz DRPRFSAURSWDAA-QZTJIDSGSA-N 2 2 311.429 3.310 20 0 DGADLP CCCn1c(C[NH2+]Cc2c[nH+]c3n2CCCC3)nc2ccccc21 ZINC000376728683 312980121 /nfs/dbraw/zinc/98/01/21/312980121.db2.gz LXLYZPNGQFDAKF-UHFFFAOYSA-N 2 2 323.444 3.269 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000530225633 313342737 /nfs/dbraw/zinc/34/27/37/313342737.db2.gz UXBULBOMZKFESL-TZMCWYRMSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000530225633 313342741 /nfs/dbraw/zinc/34/27/41/313342741.db2.gz UXBULBOMZKFESL-TZMCWYRMSA-N 2 2 313.367 3.064 20 0 DGADLP COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)oc21 ZINC000530224265 313342837 /nfs/dbraw/zinc/34/28/37/313342837.db2.gz VUJMXIKCAFXZPI-MLGOLLRUSA-N 2 2 300.402 3.377 20 0 DGADLP COC(=O)CC1([NH2+]CCCc2c[nH+]ccc2C)CCCCC1 ZINC000530358977 313360981 /nfs/dbraw/zinc/36/09/81/313360981.db2.gz MUTRZYCEAQJRTJ-UHFFFAOYSA-N 2 2 304.434 3.178 20 0 DGADLP c1ccc(NC[C@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410678 313367060 /nfs/dbraw/zinc/36/70/60/313367060.db2.gz LGDIXDHQGAUDTB-IAGOWNOFSA-N 2 2 315.461 3.307 20 0 DGADLP c1ccc(NC[C@H]2CC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410678 313367063 /nfs/dbraw/zinc/36/70/63/313367063.db2.gz LGDIXDHQGAUDTB-IAGOWNOFSA-N 2 2 315.461 3.307 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(c4ccccc4)CCOCC3)n2c1 ZINC000532495752 313554314 /nfs/dbraw/zinc/55/43/14/313554314.db2.gz PNBYWCFAMZEWEK-UHFFFAOYSA-N 2 2 321.424 3.438 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCc4ccccc4CC3)cc2)c[nH+]1 ZINC000533438836 313620001 /nfs/dbraw/zinc/62/00/01/313620001.db2.gz SMEIDBKKWDFWOI-UHFFFAOYSA-N 2 2 303.409 3.473 20 0 DGADLP CC(C)[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC1 ZINC000538587629 313869923 /nfs/dbraw/zinc/86/99/23/313869923.db2.gz TXSNCDROCXJCBU-LJQANCHMSA-N 2 2 316.493 3.459 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540139879 313948874 /nfs/dbraw/zinc/94/88/74/313948874.db2.gz GSJOUNWKYYOYDF-CQSZACIVSA-N 2 2 309.413 3.168 20 0 DGADLP CCCCc1nc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000541892776 314047152 /nfs/dbraw/zinc/04/71/52/314047152.db2.gz BJBPAOVWOXRXSH-CYBMUJFWSA-N 2 2 304.463 3.209 20 0 DGADLP CCCCc1nc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000541892776 314047154 /nfs/dbraw/zinc/04/71/54/314047154.db2.gz BJBPAOVWOXRXSH-CYBMUJFWSA-N 2 2 304.463 3.209 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579585 314200755 /nfs/dbraw/zinc/20/07/55/314200755.db2.gz VIAJCBBLJNKYFM-HKUYNNGSSA-N 2 2 320.477 3.376 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579585 314200758 /nfs/dbraw/zinc/20/07/58/314200758.db2.gz VIAJCBBLJNKYFM-HKUYNNGSSA-N 2 2 320.477 3.376 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610786 314202297 /nfs/dbraw/zinc/20/22/97/314202297.db2.gz DTUXXWWBQPNCCD-JZIMQPMSSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610786 314202301 /nfs/dbraw/zinc/20/23/01/314202301.db2.gz DTUXXWWBQPNCCD-JZIMQPMSSA-N 2 2 306.400 3.396 20 0 DGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545205746 314232807 /nfs/dbraw/zinc/23/28/07/314232807.db2.gz PRTQDBHOFFXNQL-AEFFLSMTSA-N 2 2 324.509 3.353 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000546654798 314318652 /nfs/dbraw/zinc/31/86/52/314318652.db2.gz OXQLZIQBOFUIIS-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000546654798 314318654 /nfs/dbraw/zinc/31/86/54/314318654.db2.gz OXQLZIQBOFUIIS-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccnn1-c1ccccc1 ZINC000547395334 314364102 /nfs/dbraw/zinc/36/41/02/314364102.db2.gz FDWMPGREHWXDHV-INIZCTEOSA-N 2 2 309.417 3.200 20 0 DGADLP COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)oc21 ZINC000547654636 314384164 /nfs/dbraw/zinc/38/41/64/314384164.db2.gz OHHHVNNYGLLEPD-OCCSQVGLSA-N 2 2 311.385 3.304 20 0 DGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1cnccn1 ZINC000562681907 315043629 /nfs/dbraw/zinc/04/36/29/315043629.db2.gz BSICFVWRBOYMBY-LJQANCHMSA-N 2 2 324.472 3.039 20 0 DGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1cnccn1 ZINC000562681907 315043630 /nfs/dbraw/zinc/04/36/30/315043630.db2.gz BSICFVWRBOYMBY-LJQANCHMSA-N 2 2 324.472 3.039 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000563352203 315105377 /nfs/dbraw/zinc/10/53/77/315105377.db2.gz GRUKKFYQDHPBAQ-ZBFHGGJFSA-N 2 2 310.507 3.150 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000563352203 315105380 /nfs/dbraw/zinc/10/53/80/315105380.db2.gz GRUKKFYQDHPBAQ-ZBFHGGJFSA-N 2 2 310.507 3.150 20 0 DGADLP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563428835 315114591 /nfs/dbraw/zinc/11/45/91/315114591.db2.gz JJWCDONREDIDPM-TXSJJRPESA-N 2 2 314.473 3.277 20 0 DGADLP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563428835 315114592 /nfs/dbraw/zinc/11/45/92/315114592.db2.gz JJWCDONREDIDPM-TXSJJRPESA-N 2 2 314.473 3.277 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000563778928 315137022 /nfs/dbraw/zinc/13/70/22/315137022.db2.gz BOGJXNAXUHNDSV-IUODEOHRSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000563778928 315137024 /nfs/dbraw/zinc/13/70/24/315137024.db2.gz BOGJXNAXUHNDSV-IUODEOHRSA-N 2 2 300.368 3.493 20 0 DGADLP CC(C)COc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000564519911 315180315 /nfs/dbraw/zinc/18/03/15/315180315.db2.gz FKTRTHREVLTENW-QGZVFWFLSA-N 2 2 304.478 3.495 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000564519911 315180317 /nfs/dbraw/zinc/18/03/17/315180317.db2.gz FKTRTHREVLTENW-QGZVFWFLSA-N 2 2 304.478 3.495 20 0 DGADLP CC(C)COc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000564519911 315180318 /nfs/dbraw/zinc/18/03/18/315180318.db2.gz FKTRTHREVLTENW-QGZVFWFLSA-N 2 2 304.478 3.495 20 0 DGADLP CC(C)COc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000564519911 315180320 /nfs/dbraw/zinc/18/03/20/315180320.db2.gz FKTRTHREVLTENW-QGZVFWFLSA-N 2 2 304.478 3.495 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565219419 315243736 /nfs/dbraw/zinc/24/37/36/315243736.db2.gz VNPCDHNEVGRPET-MAUKXSAKSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000565219419 315243738 /nfs/dbraw/zinc/24/37/38/315243738.db2.gz VNPCDHNEVGRPET-MAUKXSAKSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCOc2ccccc2C(C)(C)C)n1C ZINC000565239313 315245795 /nfs/dbraw/zinc/24/57/95/315245795.db2.gz WLIGIFXMOZSZAO-UHFFFAOYSA-N 2 2 301.434 3.195 20 0 DGADLP CS[C@@H]1CN(c2[nH+]ccc3ccc(C)cc32)C[C@@H]1[NH+](C)C ZINC000566150043 315316974 /nfs/dbraw/zinc/31/69/74/315316974.db2.gz TZRRQGGCJLPOLO-JKSUJKDBSA-N 2 2 301.459 3.025 20 0 DGADLP CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000566191685 315321691 /nfs/dbraw/zinc/32/16/91/315321691.db2.gz TYJPWBXZYQVKBF-UHFFFAOYSA-N 2 2 316.449 3.197 20 0 DGADLP CC[NH+](CC)Cc1ccccc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000566499372 315353167 /nfs/dbraw/zinc/35/31/67/315353167.db2.gz RFNAIWDEZQSSQO-UHFFFAOYSA-N 2 2 300.450 3.158 20 0 DGADLP O=C1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)c2ccccc2N1 ZINC000571632408 315734376 /nfs/dbraw/zinc/73/43/76/315734376.db2.gz DILOHSLUBWZJPY-QGZVFWFLSA-N 2 2 315.461 3.362 20 0 DGADLP Cc1[nH+]cc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)n1C ZINC000573221702 315849877 /nfs/dbraw/zinc/84/98/77/315849877.db2.gz NEBFUJNWAIQBNS-UHFFFAOYSA-N 2 2 309.417 3.417 20 0 DGADLP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000574791589 316001256 /nfs/dbraw/zinc/00/12/56/316001256.db2.gz UBOKLKNLSQPKIU-ZWKOTPCHSA-N 2 2 313.445 3.499 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCCn2cc[nH+]c2)C[C@@H]1Oc1ccccc1 ZINC000574791584 316001323 /nfs/dbraw/zinc/00/13/23/316001323.db2.gz UBOKLKNLSQPKIU-MSOLQXFVSA-N 2 2 313.445 3.499 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCC(C)(C)C3)c2cc1C ZINC000575836062 316067203 /nfs/dbraw/zinc/06/72/03/316067203.db2.gz YOEUBKVUCNNXEX-CVEARBPZSA-N 2 2 315.461 3.182 20 0 DGADLP CC(C)C1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000575906586 316074690 /nfs/dbraw/zinc/07/46/90/316074690.db2.gz HFSYJWJXJJQNRX-XBMUEBEBSA-N 2 2 308.510 3.103 20 0 DGADLP CC(C)C1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000575906586 316074694 /nfs/dbraw/zinc/07/46/94/316074694.db2.gz HFSYJWJXJJQNRX-XBMUEBEBSA-N 2 2 308.510 3.103 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000576744666 316162798 /nfs/dbraw/zinc/16/27/98/316162798.db2.gz WLSNCANAQOSTRN-KXBFYZLASA-N 2 2 323.440 3.169 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562074 316247147 /nfs/dbraw/zinc/24/71/47/316247147.db2.gz PEEKGQIGRGHQHM-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562074 316247152 /nfs/dbraw/zinc/24/71/52/316247152.db2.gz PEEKGQIGRGHQHM-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562074 316247156 /nfs/dbraw/zinc/24/71/56/316247156.db2.gz PEEKGQIGRGHQHM-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562074 316247159 /nfs/dbraw/zinc/24/71/59/316247159.db2.gz PEEKGQIGRGHQHM-RDTXWAMCSA-N 2 2 301.409 3.223 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000577708285 316261894 /nfs/dbraw/zinc/26/18/94/316261894.db2.gz ZUSVOWOHFUFABY-SJLPKXTDSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000577708285 316261898 /nfs/dbraw/zinc/26/18/98/316261898.db2.gz ZUSVOWOHFUFABY-SJLPKXTDSA-N 2 2 322.880 3.154 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000577741985 316266569 /nfs/dbraw/zinc/26/65/69/316266569.db2.gz PJDWDGKAMZVMLT-YPMHNXCESA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000577741985 316266573 /nfs/dbraw/zinc/26/65/73/316266573.db2.gz PJDWDGKAMZVMLT-YPMHNXCESA-N 2 2 312.841 3.059 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000578009807 316294157 /nfs/dbraw/zinc/29/41/57/316294157.db2.gz GFIHYAWUIUFJAS-RBUKOAKNSA-N 3 2 303.494 3.423 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000180192984 323223135 /nfs/dbraw/zinc/22/31/35/323223135.db2.gz KDEMYDDHFJUKMT-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000180192984 323223136 /nfs/dbraw/zinc/22/31/36/323223136.db2.gz KDEMYDDHFJUKMT-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP CC(C)CCc1nc(C[N@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000181106113 323245883 /nfs/dbraw/zinc/24/58/83/323245883.db2.gz GYQXHTQPZKIBSE-UHFFFAOYSA-N 2 2 306.479 3.450 20 0 DGADLP CC(C)CCc1nc(C[N@@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000181106113 323245886 /nfs/dbraw/zinc/24/58/86/323245886.db2.gz GYQXHTQPZKIBSE-UHFFFAOYSA-N 2 2 306.479 3.450 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000181479728 323255382 /nfs/dbraw/zinc/25/53/82/323255382.db2.gz QWKDMEXKRXRLPA-ROUUACIJSA-N 2 2 313.445 3.225 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1(C)C ZINC000181471387 323255479 /nfs/dbraw/zinc/25/54/79/323255479.db2.gz GFLKOYJIFPRRIV-ZWKOTPCHSA-N 2 2 313.445 3.225 20 0 DGADLP C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1[nH+]ccn1C ZINC000182966226 323317888 /nfs/dbraw/zinc/31/78/88/323317888.db2.gz QNDXZBJGDUQPFH-GJZGRUSLSA-N 2 2 300.450 3.200 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000182966243 323317941 /nfs/dbraw/zinc/31/79/41/323317941.db2.gz QNDXZBJGDUQPFH-CABCVRRESA-N 2 2 300.450 3.200 20 0 DGADLP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C2CCCCC2)n1 ZINC000182999288 323319339 /nfs/dbraw/zinc/31/93/39/323319339.db2.gz RQUNBRFWDUDDMI-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C2CCCCC2)n1 ZINC000182999288 323319342 /nfs/dbraw/zinc/31/93/42/323319342.db2.gz RQUNBRFWDUDDMI-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C2CCCCC2)n1 ZINC000182999288 323319346 /nfs/dbraw/zinc/31/93/46/323319346.db2.gz RQUNBRFWDUDDMI-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C2CCCCC2)n1 ZINC000182999288 323319348 /nfs/dbraw/zinc/31/93/48/323319348.db2.gz RQUNBRFWDUDDMI-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP Cc1[nH]c(CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)[nH+]c1C ZINC000579006639 323811461 /nfs/dbraw/zinc/81/14/61/323811461.db2.gz PYBQCYKSAGFMHN-HNNXBMFYSA-N 2 2 314.433 3.032 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)n1C ZINC000579259130 323845786 /nfs/dbraw/zinc/84/57/86/323845786.db2.gz LKLGOUGQUIXFJV-ZETCQYMHSA-N 2 2 304.341 3.055 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@@]3(C)C(C)C)c2cc1C ZINC000580185772 323968817 /nfs/dbraw/zinc/96/88/17/323968817.db2.gz VWLURRMHZQSJNV-LZQZEXGQSA-N 2 2 315.461 3.038 20 0 DGADLP CCOC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000581085903 324073360 /nfs/dbraw/zinc/07/33/60/324073360.db2.gz YDDLYSGVAHJEOS-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000581085903 324073363 /nfs/dbraw/zinc/07/33/63/324073363.db2.gz YDDLYSGVAHJEOS-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496492 324123502 /nfs/dbraw/zinc/12/35/02/324123502.db2.gz KCJFCJFRQWPTQW-AEFFLSMTSA-N 2 2 313.445 3.205 20 0 DGADLP C[C@H](CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496492 324123506 /nfs/dbraw/zinc/12/35/06/324123506.db2.gz KCJFCJFRQWPTQW-AEFFLSMTSA-N 2 2 313.445 3.205 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000582056654 324183959 /nfs/dbraw/zinc/18/39/59/324183959.db2.gz PKENGBWVKVRPGA-JKSUJKDBSA-N 3 2 318.852 3.275 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000582056654 324183961 /nfs/dbraw/zinc/18/39/61/324183961.db2.gz PKENGBWVKVRPGA-JKSUJKDBSA-N 2 2 318.852 3.275 20 0 DGADLP COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000582453698 324230773 /nfs/dbraw/zinc/23/07/73/324230773.db2.gz WWGMBNUMWVICTI-ZWKOTPCHSA-N 2 2 318.461 3.424 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587907 324249041 /nfs/dbraw/zinc/24/90/41/324249041.db2.gz GPCJMDFMTNXWBL-WFASDCNBSA-N 2 2 310.388 3.110 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587907 324249043 /nfs/dbraw/zinc/24/90/43/324249043.db2.gz GPCJMDFMTNXWBL-WFASDCNBSA-N 2 2 310.388 3.110 20 0 DGADLP COc1ccc(OCC[N@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000583407472 324349972 /nfs/dbraw/zinc/34/99/72/324349972.db2.gz DRQGFQFGWFSGQW-UHFFFAOYSA-N 2 2 314.429 3.342 20 0 DGADLP COc1ccc(OCC[N@@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000583407472 324349975 /nfs/dbraw/zinc/34/99/75/324349975.db2.gz DRQGFQFGWFSGQW-UHFFFAOYSA-N 2 2 314.429 3.342 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000229067943 1177629944 /nfs/dbraw/zinc/62/99/44/1177629944.db2.gz XRTJJKQRJFCRJS-RISCZKNCSA-N 2 2 311.267 3.174 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295913010 533814369 /nfs/dbraw/zinc/81/43/69/533814369.db2.gz JHBAZQZBEZGKEV-NMACRGETSA-N 3 2 310.445 3.148 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295913010 533814373 /nfs/dbraw/zinc/81/43/73/533814373.db2.gz JHBAZQZBEZGKEV-NMACRGETSA-N 3 2 310.445 3.148 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CC2CC2)CC1 ZINC000302640797 533909709 /nfs/dbraw/zinc/90/97/09/533909709.db2.gz LCISSPZQVKGFER-UHFFFAOYSA-N 2 2 311.429 3.084 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000415072955 533931625 /nfs/dbraw/zinc/93/16/25/533931625.db2.gz XPHSFQBATJFTBA-UHFFFAOYSA-N 2 2 303.233 3.234 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(Br)c1 ZINC000430138551 533948718 /nfs/dbraw/zinc/94/87/18/533948718.db2.gz YPRBOLSAHKFARD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000430138551 533948722 /nfs/dbraw/zinc/94/87/22/533948722.db2.gz YPRBOLSAHKFARD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000430138551 533948727 /nfs/dbraw/zinc/94/87/27/533948727.db2.gz YPRBOLSAHKFARD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000430138551 533948732 /nfs/dbraw/zinc/94/87/32/533948732.db2.gz YPRBOLSAHKFARD-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000429426609 534083034 /nfs/dbraw/zinc/08/30/34/534083034.db2.gz NOEFNGWYLXUQAX-GDZNZVCISA-N 2 2 308.853 3.180 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000429426609 534083039 /nfs/dbraw/zinc/08/30/39/534083039.db2.gz NOEFNGWYLXUQAX-GDZNZVCISA-N 2 2 308.853 3.180 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@@H]1C[NH3+] ZINC000430592859 534173949 /nfs/dbraw/zinc/17/39/49/534173949.db2.gz IINKZFPGYFSEAW-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@@H]1C[NH3+] ZINC000430592859 534173955 /nfs/dbraw/zinc/17/39/55/534173955.db2.gz IINKZFPGYFSEAW-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP Cc1ccc(-c2noc([C@H](C)[N@H+](C)CC(C)(C)C[NH3+])n2)cc1F ZINC000430585848 534233912 /nfs/dbraw/zinc/23/39/12/534233912.db2.gz RMQJFIDJVKTTFM-LBPRGKRZSA-N 2 2 320.412 3.162 20 0 DGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])n2)cc1F ZINC000430585848 534233915 /nfs/dbraw/zinc/23/39/15/534233915.db2.gz RMQJFIDJVKTTFM-LBPRGKRZSA-N 2 2 320.412 3.162 20 0 DGADLP O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743832 534405556 /nfs/dbraw/zinc/40/55/56/534405556.db2.gz UEMWMFGECCPZCF-HOTGVXAUSA-N 2 2 319.474 3.313 20 0 DGADLP O[C@@H](C[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743832 534405568 /nfs/dbraw/zinc/40/55/68/534405568.db2.gz UEMWMFGECCPZCF-HOTGVXAUSA-N 2 2 319.474 3.313 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCC(C)CC1 ZINC000157577198 519795042 /nfs/dbraw/zinc/79/50/42/519795042.db2.gz YFNNAIDPMBGTHF-QZTJIDSGSA-N 2 2 306.498 3.008 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCC(C)CC1 ZINC000157577050 519816236 /nfs/dbraw/zinc/81/62/36/519816236.db2.gz YFNNAIDPMBGTHF-MSOLQXFVSA-N 2 2 306.498 3.008 20 0 DGADLP Fc1ccc(-c2nc(C[NH2+]CCC[NH2+]C3CC3)cs2)cc1 ZINC000415066468 534456629 /nfs/dbraw/zinc/45/66/29/534456629.db2.gz ITNKUGVFQKEVHD-UHFFFAOYSA-N 2 2 305.422 3.181 20 0 DGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000309943291 534521071 /nfs/dbraw/zinc/52/10/71/534521071.db2.gz BYVCWTOUBQIUCC-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000309943291 534521076 /nfs/dbraw/zinc/52/10/76/534521076.db2.gz BYVCWTOUBQIUCC-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000309943291 534521083 /nfs/dbraw/zinc/52/10/83/534521083.db2.gz BYVCWTOUBQIUCC-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000309943291 534521087 /nfs/dbraw/zinc/52/10/87/534521087.db2.gz BYVCWTOUBQIUCC-IAGOWNOFSA-N 2 2 313.470 3.097 20 0 DGADLP Cc1cnc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000295604124 534557786 /nfs/dbraw/zinc/55/77/86/534557786.db2.gz FVGYETQRSLOANF-CQSZACIVSA-N 2 2 303.475 3.452 20 0 DGADLP Cc1cnc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000295604124 534557790 /nfs/dbraw/zinc/55/77/90/534557790.db2.gz FVGYETQRSLOANF-CQSZACIVSA-N 2 2 303.475 3.452 20 0 DGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc(F)cc3F)cs2)CC1 ZINC000434662930 534568401 /nfs/dbraw/zinc/56/84/01/534568401.db2.gz NXAJWUZZRRHGRA-UHFFFAOYSA-N 2 2 309.385 3.011 20 0 DGADLP [NH3+]CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000415051281 534620933 /nfs/dbraw/zinc/62/09/33/534620933.db2.gz JIEVNRMCEOEXOL-LJQANCHMSA-N 3 2 324.472 3.120 20 0 DGADLP Cc1ccc(-n2cc[nH+]c2)c(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1 ZINC000339395448 525914234 /nfs/dbraw/zinc/91/42/34/525914234.db2.gz QSSLKMDZIUWGJO-AWEZNQCLSA-N 2 2 311.389 3.277 20 0 DGADLP c1nc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)oc1-c1ccccc1 ZINC000156345376 526596258 /nfs/dbraw/zinc/59/62/58/526596258.db2.gz UBXMFBRBOHLMMK-QGZVFWFLSA-N 2 2 321.380 3.390 20 0 DGADLP c1nc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)oc1-c1ccccc1 ZINC000156345376 526596266 /nfs/dbraw/zinc/59/62/66/526596266.db2.gz UBXMFBRBOHLMMK-QGZVFWFLSA-N 2 2 321.380 3.390 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000420367014 526697162 /nfs/dbraw/zinc/69/71/62/526697162.db2.gz RUQRMJMBFCOAIM-AWEZNQCLSA-N 2 2 309.360 3.083 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415039080 526862942 /nfs/dbraw/zinc/86/29/42/526862942.db2.gz ISFVWRXNSSEPDN-ZFWWWQNUSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415039080 526862949 /nfs/dbraw/zinc/86/29/49/526862949.db2.gz ISFVWRXNSSEPDN-ZFWWWQNUSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415039075 526863725 /nfs/dbraw/zinc/86/37/25/526863725.db2.gz ISFVWRXNSSEPDN-DZGCQCFKSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415039075 526863729 /nfs/dbraw/zinc/86/37/29/526863729.db2.gz ISFVWRXNSSEPDN-DZGCQCFKSA-N 2 2 307.507 3.405 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000295032261 527277585 /nfs/dbraw/zinc/27/75/85/527277585.db2.gz NEDDZTRIUGACMC-QGZVFWFLSA-N 2 2 309.413 3.218 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000295032261 527277591 /nfs/dbraw/zinc/27/75/91/527277591.db2.gz NEDDZTRIUGACMC-QGZVFWFLSA-N 2 2 309.413 3.218 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000163295534 527400626 /nfs/dbraw/zinc/40/06/26/527400626.db2.gz BRFNGFIETLRBCP-YOEHRIQHSA-N 2 2 319.474 3.495 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000163295534 527400636 /nfs/dbraw/zinc/40/06/36/527400636.db2.gz BRFNGFIETLRBCP-YOEHRIQHSA-N 2 2 319.474 3.495 20 0 DGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000428283360 527409068 /nfs/dbraw/zinc/40/90/68/527409068.db2.gz AISXORJKSMGFMW-MOPGFXCFSA-N 2 2 308.510 3.413 20 0 DGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000428283360 527409074 /nfs/dbraw/zinc/40/90/74/527409074.db2.gz AISXORJKSMGFMW-MOPGFXCFSA-N 2 2 308.510 3.413 20 0 DGADLP CCC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000309784658 527754483 /nfs/dbraw/zinc/75/44/83/527754483.db2.gz MIJIOSNNYXGTLT-IBGZPJMESA-N 2 2 316.489 3.447 20 0 DGADLP CCC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000309784658 527754486 /nfs/dbraw/zinc/75/44/86/527754486.db2.gz MIJIOSNNYXGTLT-IBGZPJMESA-N 2 2 316.489 3.447 20 0 DGADLP CC1(C)Cc2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)ccc2O1 ZINC000435382183 527772428 /nfs/dbraw/zinc/77/24/28/527772428.db2.gz ZZZUIBFSZVHQOV-UHFFFAOYSA-N 2 2 314.473 3.364 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000415048897 527792220 /nfs/dbraw/zinc/79/22/20/527792220.db2.gz XREHBVCPFFWSHE-VIFPVBQESA-N 2 2 323.687 3.394 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000415040951 527795072 /nfs/dbraw/zinc/79/50/72/527795072.db2.gz OVKMIXSRWKVIGP-GFCCVEGCSA-N 2 2 317.658 3.333 20 0 DGADLP CC(C)CC[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415123960 527843568 /nfs/dbraw/zinc/84/35/68/527843568.db2.gz BPFNFIPNBWEMTE-SFHVURJKSA-N 3 2 317.521 3.394 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423089922 527873908 /nfs/dbraw/zinc/87/39/08/527873908.db2.gz WFMBROUMJWXJDX-ILRDRHFLSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1cccc(OC)c1 ZINC000177321537 527900375 /nfs/dbraw/zinc/90/03/75/527900375.db2.gz CIWNJLPHWDLENM-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1cccc(OC)c1 ZINC000177321537 527900380 /nfs/dbraw/zinc/90/03/80/527900380.db2.gz CIWNJLPHWDLENM-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(OC)c1 ZINC000177321537 527900384 /nfs/dbraw/zinc/90/03/84/527900384.db2.gz CIWNJLPHWDLENM-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1cccc(OC)c1 ZINC000177321537 527900387 /nfs/dbraw/zinc/90/03/87/527900387.db2.gz CIWNJLPHWDLENM-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP CCC[NH+](CCC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429727211 528060303 /nfs/dbraw/zinc/06/03/03/528060303.db2.gz UUTVIXUERIJHAP-LJQANCHMSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[NH+](CCC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429727211 528060311 /nfs/dbraw/zinc/06/03/11/528060311.db2.gz UUTVIXUERIJHAP-LJQANCHMSA-N 2 2 304.478 3.400 20 0 DGADLP CC[NH+](CC)CCN(Cc1ccccc1)Cc1cc[nH+]c(N)c1 ZINC000299447611 528125429 /nfs/dbraw/zinc/12/54/29/528125429.db2.gz YVIPKTIJYCCYRF-UHFFFAOYSA-N 2 2 312.461 3.008 20 0 DGADLP CCC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CC[NH2+]C1 ZINC000430957503 528132271 /nfs/dbraw/zinc/13/22/71/528132271.db2.gz OVZWBBGFPTUCES-IBGZPJMESA-N 2 2 312.461 3.063 20 0 DGADLP CCC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CC[NH2+]C1 ZINC000430957503 528132275 /nfs/dbraw/zinc/13/22/75/528132275.db2.gz OVZWBBGFPTUCES-IBGZPJMESA-N 2 2 312.461 3.063 20 0 DGADLP CCC[N@H+](Cc1nc2c(cccc2F)n1CC)C1CC[NH2+]CC1 ZINC000431069557 528155959 /nfs/dbraw/zinc/15/59/59/528155959.db2.gz HEENZUYCGPEPAF-UHFFFAOYSA-N 2 2 318.440 3.159 20 0 DGADLP CCC[N@@H+](Cc1nc2c(cccc2F)n1CC)C1CC[NH2+]CC1 ZINC000431069557 528155965 /nfs/dbraw/zinc/15/59/65/528155965.db2.gz HEENZUYCGPEPAF-UHFFFAOYSA-N 2 2 318.440 3.159 20 0 DGADLP CCC[N@@H+]1CC[C@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000301976403 528262333 /nfs/dbraw/zinc/26/23/33/528262333.db2.gz WEOQECYTNNLJFN-CQSZACIVSA-N 2 2 314.433 3.091 20 0 DGADLP CCC[N@H+]1CC[C@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000301976403 528262341 /nfs/dbraw/zinc/26/23/41/528262341.db2.gz WEOQECYTNNLJFN-CQSZACIVSA-N 2 2 314.433 3.091 20 0 DGADLP CC(C)c1nc(N[C@H](C)C2=CC[N@H+](C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433763237 528265401 /nfs/dbraw/zinc/26/54/01/528265401.db2.gz CUJUJPNUHLXIOR-CQSZACIVSA-N 2 2 316.493 3.382 20 0 DGADLP CC(C)c1nc(N[C@H](C)C2=CC[N@@H+](C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433763237 528265404 /nfs/dbraw/zinc/26/54/04/528265404.db2.gz CUJUJPNUHLXIOR-CQSZACIVSA-N 2 2 316.493 3.382 20 0 DGADLP CCn1c[nH+]cc1CNC[C@H](c1ccccc1)[NH+](CC)CC ZINC000316130355 528281208 /nfs/dbraw/zinc/28/12/08/528281208.db2.gz RWPMLTFPTOATSQ-GOSISDBHSA-N 2 2 300.450 3.076 20 0 DGADLP CC(C)C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000315802972 528573226 /nfs/dbraw/zinc/57/32/26/528573226.db2.gz PZKDTENVOWMFOK-KRWDZBQOSA-N 2 2 300.450 3.363 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cn1 ZINC000432420459 528584650 /nfs/dbraw/zinc/58/46/50/528584650.db2.gz BKMSZHKGVOAEIL-MAUKXSAKSA-N 2 2 323.456 3.008 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cn1 ZINC000432420459 528584658 /nfs/dbraw/zinc/58/46/58/528584658.db2.gz BKMSZHKGVOAEIL-MAUKXSAKSA-N 2 2 323.456 3.008 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)C1C[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000422754107 528693423 /nfs/dbraw/zinc/69/34/23/528693423.db2.gz DRKCUQYUDVQVCU-HOTGVXAUSA-N 3 2 303.494 3.094 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000428372566 528721524 /nfs/dbraw/zinc/72/15/24/528721524.db2.gz JHWPTDSYJVSDPL-HIFRSBDPSA-N 2 2 302.422 3.215 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000428372566 528721528 /nfs/dbraw/zinc/72/15/28/528721528.db2.gz JHWPTDSYJVSDPL-HIFRSBDPSA-N 2 2 302.422 3.215 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423300177 528823114 /nfs/dbraw/zinc/82/31/14/528823114.db2.gz RAVINNBVOQENSD-QAPCUYQASA-N 2 2 300.450 3.100 20 0 DGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000432411553 529006637 /nfs/dbraw/zinc/00/66/37/529006637.db2.gz ZDDDDQAHJBFNKU-IAGOWNOFSA-N 2 2 305.466 3.013 20 0 DGADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000432411553 529006643 /nfs/dbraw/zinc/00/66/43/529006643.db2.gz ZDDDDQAHJBFNKU-IAGOWNOFSA-N 2 2 305.466 3.013 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443979935 529014874 /nfs/dbraw/zinc/01/48/74/529014874.db2.gz QAMMEPKMVUOKMZ-NSHDSACASA-N 2 2 321.412 3.372 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443979935 529014878 /nfs/dbraw/zinc/01/48/78/529014878.db2.gz QAMMEPKMVUOKMZ-NSHDSACASA-N 2 2 321.412 3.372 20 0 DGADLP CC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305174057 529331555 /nfs/dbraw/zinc/33/15/55/529331555.db2.gz UXRQGIIBLHUZEE-MRXNPFEDSA-N 2 2 310.869 3.055 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000493773058 535145617 /nfs/dbraw/zinc/14/56/17/535145617.db2.gz VSORNWGBHBNTQE-SREVYHEPSA-N 2 2 310.401 3.033 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000493773058 535145625 /nfs/dbraw/zinc/14/56/25/535145625.db2.gz VSORNWGBHBNTQE-SREVYHEPSA-N 2 2 310.401 3.033 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000487987325 535156903 /nfs/dbraw/zinc/15/69/03/535156903.db2.gz JXFDIDIUMBYMON-UHFFFAOYSA-N 2 2 321.896 3.335 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000471803865 535216461 /nfs/dbraw/zinc/21/64/61/535216461.db2.gz JZCJCUXZFAAYGH-PKOBYXMFSA-N 2 2 318.505 3.428 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000471803865 535216468 /nfs/dbraw/zinc/21/64/68/535216468.db2.gz JZCJCUXZFAAYGH-PKOBYXMFSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000495108082 535239695 /nfs/dbraw/zinc/23/96/95/535239695.db2.gz KYQBAKHMOVWXDO-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000495108082 535239698 /nfs/dbraw/zinc/23/96/98/535239698.db2.gz KYQBAKHMOVWXDO-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000495108082 535239702 /nfs/dbraw/zinc/23/97/02/535239702.db2.gz KYQBAKHMOVWXDO-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000495108082 535239710 /nfs/dbraw/zinc/23/97/10/535239710.db2.gz KYQBAKHMOVWXDO-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449433007 536079525 /nfs/dbraw/zinc/07/95/25/536079525.db2.gz KKABGZWNWXKTFO-ROUUACIJSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672401 545676569 /nfs/dbraw/zinc/67/65/69/545676569.db2.gz SGXKBCKCTVCBAP-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672401 545676575 /nfs/dbraw/zinc/67/65/75/545676575.db2.gz SGXKBCKCTVCBAP-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185673 545823493 /nfs/dbraw/zinc/82/34/93/545823493.db2.gz UVKUDJVCORRMOZ-HKUYNNGSSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185673 545823497 /nfs/dbraw/zinc/82/34/97/545823497.db2.gz UVKUDJVCORRMOZ-HKUYNNGSSA-N 2 2 304.478 3.036 20 0 DGADLP COCCC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090191993 545825061 /nfs/dbraw/zinc/82/50/61/545825061.db2.gz FWQMYDKTKRTYNM-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP COCCC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090191993 545825065 /nfs/dbraw/zinc/82/50/65/545825065.db2.gz FWQMYDKTKRTYNM-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)s2)cc1 ZINC000131385266 545956276 /nfs/dbraw/zinc/95/62/76/545956276.db2.gz NAJQHLKKKSQCLO-SFHVURJKSA-N 2 2 318.486 3.126 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000133895159 545969482 /nfs/dbraw/zinc/96/94/82/545969482.db2.gz DCDWOLLUQNCHFK-OXQOHEQNSA-N 3 2 317.521 3.172 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)[C@@H]1C[NH3+] ZINC000157545109 546041006 /nfs/dbraw/zinc/04/10/06/546041006.db2.gz UQUZNZKPHGLJFY-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)[C@@H]1C[NH3+] ZINC000157545109 546041008 /nfs/dbraw/zinc/04/10/08/546041008.db2.gz UQUZNZKPHGLJFY-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000164126323 546087328 /nfs/dbraw/zinc/08/73/28/546087328.db2.gz TZDVKJSRWNUERG-DOMZBBRYSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2Br)CC[C@@H]1[NH3+] ZINC000164126323 546087333 /nfs/dbraw/zinc/08/73/33/546087333.db2.gz TZDVKJSRWNUERG-DOMZBBRYSA-N 2 2 311.267 3.317 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166161420 546095014 /nfs/dbraw/zinc/09/50/14/546095014.db2.gz ITOBCSXKTWRNBV-AZUAARDMSA-N 2 2 316.489 3.476 20 0 DGADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000180298909 546144063 /nfs/dbraw/zinc/14/40/63/546144063.db2.gz WQWOAEGPGYYDFI-CQSZACIVSA-N 2 2 300.450 3.409 20 0 DGADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000180298909 546144067 /nfs/dbraw/zinc/14/40/67/546144067.db2.gz WQWOAEGPGYYDFI-CQSZACIVSA-N 2 2 300.450 3.409 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000281565649 546389222 /nfs/dbraw/zinc/38/92/22/546389222.db2.gz KAPLQIDLHBZVEK-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP Brc1cscc1C[NH2+]CCC[NH+]1CCCC1 ZINC000285376335 546396831 /nfs/dbraw/zinc/39/68/31/546396831.db2.gz GKFQBZCDRMJVTB-UHFFFAOYSA-N 2 2 303.269 3.086 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218108 546415738 /nfs/dbraw/zinc/41/57/38/546415738.db2.gz QPZSBQKMDOYAKO-SJLPKXTDSA-N 2 2 312.461 3.363 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218108 546415742 /nfs/dbraw/zinc/41/57/42/546415742.db2.gz QPZSBQKMDOYAKO-SJLPKXTDSA-N 2 2 312.461 3.363 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C2 ZINC000319343155 546464288 /nfs/dbraw/zinc/46/42/88/546464288.db2.gz RBWYXTDTCDEVEF-WFASDCNBSA-N 2 2 316.342 3.405 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C2 ZINC000319343155 546464290 /nfs/dbraw/zinc/46/42/90/546464290.db2.gz RBWYXTDTCDEVEF-WFASDCNBSA-N 2 2 316.342 3.405 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)ccn1 ZINC000347569342 546584350 /nfs/dbraw/zinc/58/43/50/546584350.db2.gz WGHKTKUVSNDVBU-HNNXBMFYSA-N 2 2 322.412 3.435 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352760148 546655758 /nfs/dbraw/zinc/65/57/58/546655758.db2.gz NZOBVRWBBLXJCJ-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352760148 546655761 /nfs/dbraw/zinc/65/57/61/546655761.db2.gz NZOBVRWBBLXJCJ-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1sccc1Br)C2 ZINC000383768522 546742257 /nfs/dbraw/zinc/74/22/57/546742257.db2.gz GIBPIYJZTPXATH-GWCFXTLKSA-N 2 2 315.280 3.071 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1sccc1Br)C2 ZINC000383768522 546742263 /nfs/dbraw/zinc/74/22/63/546742263.db2.gz GIBPIYJZTPXATH-GWCFXTLKSA-N 2 2 315.280 3.071 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000387561981 546746745 /nfs/dbraw/zinc/74/67/45/546746745.db2.gz KRDQYPFJXNLJGE-GFCCVEGCSA-N 2 2 300.406 3.006 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000401163455 546765520 /nfs/dbraw/zinc/76/55/20/546765520.db2.gz PIOMCXIUEYNDKL-NQIIRXRSSA-N 2 2 323.484 3.351 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000401163455 546765522 /nfs/dbraw/zinc/76/55/22/546765522.db2.gz PIOMCXIUEYNDKL-NQIIRXRSSA-N 2 2 323.484 3.351 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc2cccc(F)c2o1 ZINC000419699285 546804262 /nfs/dbraw/zinc/80/42/62/546804262.db2.gz WBDUEGWVBJTKRE-LLVKDONJSA-N 2 2 316.380 3.222 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)Cc1ccccc1 ZINC000419693979 546804686 /nfs/dbraw/zinc/80/46/86/546804686.db2.gz JOOJKJREZNNPNQ-QGZVFWFLSA-N 2 2 314.477 3.091 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453339038 546858992 /nfs/dbraw/zinc/85/89/92/546858992.db2.gz GEGPPSWXROHHND-JQHSSLGASA-N 2 2 312.461 3.389 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453339038 546858996 /nfs/dbraw/zinc/85/89/96/546858996.db2.gz GEGPPSWXROHHND-JQHSSLGASA-N 2 2 312.461 3.389 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486815312 546914956 /nfs/dbraw/zinc/91/49/56/546914956.db2.gz NMPLBNRGNPEHKU-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000486815312 546914958 /nfs/dbraw/zinc/91/49/58/546914958.db2.gz NMPLBNRGNPEHKU-GDAAHCPNSA-N 2 2 302.462 3.197 20 0 DGADLP COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667486921 547198434 /nfs/dbraw/zinc/19/84/34/547198434.db2.gz HZBHIRVVDDSKPN-QGZVFWFLSA-N 2 2 315.417 3.083 20 0 DGADLP COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667486921 547198436 /nfs/dbraw/zinc/19/84/36/547198436.db2.gz HZBHIRVVDDSKPN-QGZVFWFLSA-N 2 2 315.417 3.083 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1C ZINC000667496007 547202958 /nfs/dbraw/zinc/20/29/58/547202958.db2.gz FEPGVRLDLIJOJJ-AWEZNQCLSA-N 2 2 310.401 3.249 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1C ZINC000667496007 547202963 /nfs/dbraw/zinc/20/29/63/547202963.db2.gz FEPGVRLDLIJOJJ-AWEZNQCLSA-N 2 2 310.401 3.249 20 0 DGADLP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667564286 547227777 /nfs/dbraw/zinc/22/77/77/547227777.db2.gz HXYZFAHBFWOWKP-MRXNPFEDSA-N 2 2 311.429 3.045 20 0 DGADLP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667564286 547227779 /nfs/dbraw/zinc/22/77/79/547227779.db2.gz HXYZFAHBFWOWKP-MRXNPFEDSA-N 2 2 311.429 3.045 20 0 DGADLP Fc1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cccc1OC1CC1 ZINC000667563413 547227822 /nfs/dbraw/zinc/22/78/22/547227822.db2.gz CAAKHXUCRDDYKO-UHFFFAOYSA-N 2 2 315.392 3.470 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@@H+]1C ZINC000667667442 547267821 /nfs/dbraw/zinc/26/78/21/547267821.db2.gz NAUCSGGMMAADCZ-DZGCQCFKSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667442 547267825 /nfs/dbraw/zinc/26/78/25/547267825.db2.gz NAUCSGGMMAADCZ-DZGCQCFKSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667442 547267830 /nfs/dbraw/zinc/26/78/30/547267830.db2.gz NAUCSGGMMAADCZ-DZGCQCFKSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667442 547267835 /nfs/dbraw/zinc/26/78/35/547267835.db2.gz NAUCSGGMMAADCZ-DZGCQCFKSA-N 2 2 306.425 3.281 20 0 DGADLP COCc1csc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000667698650 547278932 /nfs/dbraw/zinc/27/89/32/547278932.db2.gz IVYXVMMRIPJBJS-XJKSGUPXSA-N 2 2 305.447 3.174 20 0 DGADLP COCc1csc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000667698650 547278938 /nfs/dbraw/zinc/27/89/38/547278938.db2.gz IVYXVMMRIPJBJS-XJKSGUPXSA-N 2 2 305.447 3.174 20 0 DGADLP Fc1cccc(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)c1F ZINC000667997949 547357737 /nfs/dbraw/zinc/35/77/37/547357737.db2.gz IBJQNXLUSWEBAQ-UHFFFAOYSA-N 2 2 317.383 3.487 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000668063075 547372657 /nfs/dbraw/zinc/37/26/57/547372657.db2.gz COTYSWLDEKSYIY-HNNXBMFYSA-N 2 2 306.425 3.283 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000668063075 547372663 /nfs/dbraw/zinc/37/26/63/547372663.db2.gz COTYSWLDEKSYIY-HNNXBMFYSA-N 2 2 306.425 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)n1C ZINC000668196523 547412077 /nfs/dbraw/zinc/41/20/77/547412077.db2.gz OJAYJPODDMZQSV-INIZCTEOSA-N 2 2 305.809 3.035 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)n1C ZINC000668196523 547412081 /nfs/dbraw/zinc/41/20/81/547412081.db2.gz OJAYJPODDMZQSV-INIZCTEOSA-N 2 2 305.809 3.035 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2c[nH+]c3n2CCC3)cc1Cl ZINC000668240627 547426777 /nfs/dbraw/zinc/42/67/77/547426777.db2.gz NMRDXFCQNBQPIS-UHFFFAOYSA-N 2 2 305.809 3.123 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2c[nH+]c3n2CCC3)cc1Cl ZINC000668240627 547426781 /nfs/dbraw/zinc/42/67/81/547426781.db2.gz NMRDXFCQNBQPIS-UHFFFAOYSA-N 2 2 305.809 3.123 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C\c2ccc(F)c(F)c2)CCO1 ZINC000668784724 547540030 /nfs/dbraw/zinc/54/00/30/547540030.db2.gz HUZGFXYFFFZRAB-IMMZDGJCSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C\c2ccc(F)c(F)c2)CCO1 ZINC000668784724 547540034 /nfs/dbraw/zinc/54/00/34/547540034.db2.gz HUZGFXYFFFZRAB-IMMZDGJCSA-N 2 2 324.415 3.021 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668785861 547541159 /nfs/dbraw/zinc/54/11/59/547541159.db2.gz ZKHHSICUUCWHRG-KRWDZBQOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668785861 547541163 /nfs/dbraw/zinc/54/11/63/547541163.db2.gz ZKHHSICUUCWHRG-KRWDZBQOSA-N 2 2 310.869 3.191 20 0 DGADLP COc1cccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC000669679796 547670587 /nfs/dbraw/zinc/67/05/87/547670587.db2.gz VURHHNSTFYTONH-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP COc1cccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC000669679796 547670589 /nfs/dbraw/zinc/67/05/89/547670589.db2.gz VURHHNSTFYTONH-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000669699885 547674311 /nfs/dbraw/zinc/67/43/11/547674311.db2.gz SVBOPRIYEVMMPK-RTBURBONSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000669699885 547674314 /nfs/dbraw/zinc/67/43/14/547674314.db2.gz SVBOPRIYEVMMPK-RTBURBONSA-N 2 2 314.473 3.200 20 0 DGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671763167 547829366 /nfs/dbraw/zinc/82/93/66/547829366.db2.gz GFTSVWWFRRKCBG-LRVUVFPRSA-N 2 2 315.417 3.201 20 0 DGADLP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000672554907 547888909 /nfs/dbraw/zinc/88/89/09/547888909.db2.gz UYYKVZZSHKWRRF-GOSISDBHSA-N 2 2 312.413 3.231 20 0 DGADLP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000672554907 547888914 /nfs/dbraw/zinc/88/89/14/547888914.db2.gz UYYKVZZSHKWRRF-GOSISDBHSA-N 2 2 312.413 3.231 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000672621743 547896695 /nfs/dbraw/zinc/89/66/95/547896695.db2.gz HWNXPAFIJSDJNI-BBRMVZONSA-N 2 2 312.404 3.465 20 0 DGADLP CC(C)[NH+](CCC[NH2+]Cc1nn(C)c2ccccc12)C(C)C ZINC000673629474 547975758 /nfs/dbraw/zinc/97/57/58/547975758.db2.gz DWMXZZOXGRNPJL-UHFFFAOYSA-N 2 2 302.466 3.172 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322349 548061447 /nfs/dbraw/zinc/06/14/47/548061447.db2.gz PJTUTEXZYFGXCL-CQSZACIVSA-N 2 2 305.809 3.252 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322349 548061450 /nfs/dbraw/zinc/06/14/50/548061450.db2.gz PJTUTEXZYFGXCL-CQSZACIVSA-N 2 2 305.809 3.252 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c2ccccc2)cc1 ZINC000675730497 548259901 /nfs/dbraw/zinc/25/99/01/548259901.db2.gz VFVBHSBMESTRHG-RYGJVYDSSA-N 2 2 310.441 3.324 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc2)cc1 ZINC000675730497 548259903 /nfs/dbraw/zinc/25/99/03/548259903.db2.gz VFVBHSBMESTRHG-RYGJVYDSSA-N 2 2 310.441 3.324 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765568 548266500 /nfs/dbraw/zinc/26/65/00/548266500.db2.gz LLUDCCIFUPMBSC-AAEUAGOBSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765568 548266503 /nfs/dbraw/zinc/26/65/03/548266503.db2.gz LLUDCCIFUPMBSC-AAEUAGOBSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833793 548280537 /nfs/dbraw/zinc/28/05/37/548280537.db2.gz PBOFAHVREIQBLM-MAUKXSAKSA-N 2 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833793 548280539 /nfs/dbraw/zinc/28/05/39/548280539.db2.gz PBOFAHVREIQBLM-MAUKXSAKSA-N 2 2 310.445 3.007 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)ccc1F ZINC000675882947 548284092 /nfs/dbraw/zinc/28/40/92/548284092.db2.gz VRPLPUKDAOLZKM-XJKSGUPXSA-N 2 2 324.415 3.259 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000675919356 548291454 /nfs/dbraw/zinc/29/14/54/548291454.db2.gz HQXJTSWHARNJGV-YJBOKZPZSA-N 2 2 323.444 3.271 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677749472 548549626 /nfs/dbraw/zinc/54/96/26/548549626.db2.gz JXSFFSMKQAHPSY-PKOBYXMFSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000677749472 548549629 /nfs/dbraw/zinc/54/96/29/548549629.db2.gz JXSFFSMKQAHPSY-PKOBYXMFSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C[C@H](C)O ZINC000677750729 548550642 /nfs/dbraw/zinc/55/06/42/548550642.db2.gz ZGSBDHOLUNJBNT-RYRKJORJSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C[C@H](C)O ZINC000677750729 548550643 /nfs/dbraw/zinc/55/06/43/548550643.db2.gz ZGSBDHOLUNJBNT-RYRKJORJSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806470 548559406 /nfs/dbraw/zinc/55/94/06/548559406.db2.gz DCTZNHOFOVCKFH-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806470 548559409 /nfs/dbraw/zinc/55/94/09/548559409.db2.gz DCTZNHOFOVCKFH-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccn1 ZINC000678029848 548597045 /nfs/dbraw/zinc/59/70/45/548597045.db2.gz DCCRMIGDNCAEDB-QAPCUYQASA-N 2 2 306.413 3.450 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000678078517 548608410 /nfs/dbraw/zinc/60/84/10/548608410.db2.gz CMQKMWYGTLLMEZ-VWYCJHECSA-N 2 2 318.305 3.143 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000678078517 548608414 /nfs/dbraw/zinc/60/84/14/548608414.db2.gz CMQKMWYGTLLMEZ-VWYCJHECSA-N 2 2 318.305 3.143 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000678143725 548625001 /nfs/dbraw/zinc/62/50/01/548625001.db2.gz VNIQTBXGNBRWSE-YJBOKZPZSA-N 2 2 306.413 3.450 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000678143723 548625020 /nfs/dbraw/zinc/62/50/20/548625020.db2.gz VNIQTBXGNBRWSE-MAUKXSAKSA-N 2 2 306.413 3.450 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)c1 ZINC000678185221 548634822 /nfs/dbraw/zinc/63/48/22/548634822.db2.gz XIYALUTYYDOZNU-KRWDZBQOSA-N 2 2 323.440 3.078 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235403 548648947 /nfs/dbraw/zinc/64/89/47/548648947.db2.gz SGZLPCLHSZMRLH-AWEZNQCLSA-N 2 2 313.430 3.172 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235403 548648951 /nfs/dbraw/zinc/64/89/51/548648951.db2.gz SGZLPCLHSZMRLH-AWEZNQCLSA-N 2 2 313.430 3.172 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)c[nH+]1 ZINC000678235391 548649515 /nfs/dbraw/zinc/64/95/15/548649515.db2.gz IYIQCULVUWEFJY-AWEZNQCLSA-N 2 2 302.447 3.444 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)c[nH+]1 ZINC000678235391 548649519 /nfs/dbraw/zinc/64/95/19/548649519.db2.gz IYIQCULVUWEFJY-AWEZNQCLSA-N 2 2 302.447 3.444 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000678235661 548649615 /nfs/dbraw/zinc/64/96/15/548649615.db2.gz MIPVPHYXUYOYPE-KRWDZBQOSA-N 2 2 307.401 3.110 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000678235661 548649620 /nfs/dbraw/zinc/64/96/20/548649620.db2.gz MIPVPHYXUYOYPE-KRWDZBQOSA-N 2 2 307.401 3.110 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cscc1Cl ZINC000678338456 548681553 /nfs/dbraw/zinc/68/15/53/548681553.db2.gz AHIZAABMBGDLPZ-VHDGCEQUSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cscc1Cl ZINC000678338456 548681554 /nfs/dbraw/zinc/68/15/54/548681554.db2.gz AHIZAABMBGDLPZ-VHDGCEQUSA-N 2 2 314.882 3.085 20 0 DGADLP CCC1(O)CCC([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000678498174 548717516 /nfs/dbraw/zinc/71/75/16/548717516.db2.gz SCQCVBQDFAOEKJ-UHFFFAOYSA-N 2 2 313.445 3.354 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)[nH+]1 ZINC000678825016 548772457 /nfs/dbraw/zinc/77/24/57/548772457.db2.gz IWNGJXYHECUSKH-GOSISDBHSA-N 2 2 307.397 3.298 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCCO[C@@H](c3ccccc3)C2)[nH+]1 ZINC000678825016 548772461 /nfs/dbraw/zinc/77/24/61/548772461.db2.gz IWNGJXYHECUSKH-GOSISDBHSA-N 2 2 307.397 3.298 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678842722 548777604 /nfs/dbraw/zinc/77/76/04/548777604.db2.gz YFPGQSDDIQLMBJ-CZUORRHYSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678842722 548777607 /nfs/dbraw/zinc/77/76/07/548777607.db2.gz YFPGQSDDIQLMBJ-CZUORRHYSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678842722 548777610 /nfs/dbraw/zinc/77/76/10/548777610.db2.gz YFPGQSDDIQLMBJ-CZUORRHYSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678842722 548777613 /nfs/dbraw/zinc/77/76/13/548777613.db2.gz YFPGQSDDIQLMBJ-CZUORRHYSA-N 2 2 317.502 3.081 20 0 DGADLP COc1cccc(C[N@H+](CCCn2cc[nH+]c2)CC(C)C)c1 ZINC000678883801 548787303 /nfs/dbraw/zinc/78/73/03/548787303.db2.gz VBJGTMPAGKFWPO-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP COc1cccc(C[N@@H+](CCCn2cc[nH+]c2)CC(C)C)c1 ZINC000678883801 548787305 /nfs/dbraw/zinc/78/73/05/548787305.db2.gz VBJGTMPAGKFWPO-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP COCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cc1C ZINC000678883687 548787481 /nfs/dbraw/zinc/78/74/81/548787481.db2.gz PLWZJBBAQZRDCF-UHFFFAOYSA-N 2 2 301.434 3.039 20 0 DGADLP COCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cc1C ZINC000678883687 548787483 /nfs/dbraw/zinc/78/74/83/548787483.db2.gz PLWZJBBAQZRDCF-UHFFFAOYSA-N 2 2 301.434 3.039 20 0 DGADLP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000678885845 548787537 /nfs/dbraw/zinc/78/75/37/548787537.db2.gz HZBKYVUSMIZRTK-QGZVFWFLSA-N 2 2 324.472 3.189 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)C[C@H]1OC ZINC000678926064 548793726 /nfs/dbraw/zinc/79/37/26/548793726.db2.gz GMLSRBWFAZQUMF-IAGOWNOFSA-N 2 2 315.461 3.369 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927845 548794311 /nfs/dbraw/zinc/79/43/11/548794311.db2.gz LPUULQHOKYIPIC-OKZBNKHCSA-N 2 2 306.494 3.188 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927845 548794313 /nfs/dbraw/zinc/79/43/13/548794313.db2.gz LPUULQHOKYIPIC-OKZBNKHCSA-N 2 2 306.494 3.188 20 0 DGADLP CCC[C@H](C)C[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000678931321 548794906 /nfs/dbraw/zinc/79/49/06/548794906.db2.gz ZQSHTHJDWJQWCH-HKUYNNGSSA-N 2 2 304.478 3.039 20 0 DGADLP CCC[C@H](C)C[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000678931321 548794911 /nfs/dbraw/zinc/79/49/11/548794911.db2.gz ZQSHTHJDWJQWCH-HKUYNNGSSA-N 2 2 304.478 3.039 20 0 DGADLP CCC(CC)C[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000678930540 548795104 /nfs/dbraw/zinc/79/51/04/548795104.db2.gz SZUPBBONRQRXEZ-LJQANCHMSA-N 2 2 304.478 3.039 20 0 DGADLP CCC(CC)C[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000678930540 548795107 /nfs/dbraw/zinc/79/51/07/548795107.db2.gz SZUPBBONRQRXEZ-LJQANCHMSA-N 2 2 304.478 3.039 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000678939862 548797659 /nfs/dbraw/zinc/79/76/59/548797659.db2.gz WJKRLBQDLCWBCE-BLLLJJGKSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000678939862 548797662 /nfs/dbraw/zinc/79/76/62/548797662.db2.gz WJKRLBQDLCWBCE-BLLLJJGKSA-N 2 2 323.278 3.330 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000678983603 548806633 /nfs/dbraw/zinc/80/66/33/548806633.db2.gz SMFFLGMUVLAJTH-CYBMUJFWSA-N 2 2 302.447 3.056 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000678983603 548806636 /nfs/dbraw/zinc/80/66/36/548806636.db2.gz SMFFLGMUVLAJTH-CYBMUJFWSA-N 2 2 302.447 3.056 20 0 DGADLP C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)C1CC[NH+](C)CC1 ZINC000679007460 548812083 /nfs/dbraw/zinc/81/20/83/548812083.db2.gz IAKWOFINAIAGRJ-HNNXBMFYSA-N 2 2 302.466 3.214 20 0 DGADLP C[C@@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042651 548822796 /nfs/dbraw/zinc/82/27/96/548822796.db2.gz CDAWTICYMIQXBB-XLIONFOSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000679042651 548822800 /nfs/dbraw/zinc/82/28/00/548822800.db2.gz CDAWTICYMIQXBB-XLIONFOSSA-N 2 2 316.489 3.182 20 0 DGADLP COC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000679484714 548903404 /nfs/dbraw/zinc/90/34/04/548903404.db2.gz VFKBKAGSYUQBML-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC000679484714 548903406 /nfs/dbraw/zinc/90/34/06/548903406.db2.gz VFKBKAGSYUQBML-QGZVFWFLSA-N 2 2 302.462 3.198 20 0 DGADLP FC1=CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679629734 548926116 /nfs/dbraw/zinc/92/61/16/548926116.db2.gz DQVAUKLWVSADAX-UHFFFAOYSA-N 2 2 304.409 3.220 20 0 DGADLP FC1=CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679629734 548926121 /nfs/dbraw/zinc/92/61/21/548926121.db2.gz DQVAUKLWVSADAX-UHFFFAOYSA-N 2 2 304.409 3.220 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000679838689 548955030 /nfs/dbraw/zinc/95/50/30/548955030.db2.gz FHMJDUGXCJJMRN-INIZCTEOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000679838689 548955032 /nfs/dbraw/zinc/95/50/32/548955032.db2.gz FHMJDUGXCJJMRN-INIZCTEOSA-N 2 2 324.472 3.448 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000680673192 549084382 /nfs/dbraw/zinc/08/43/82/549084382.db2.gz IBUSSKOORXIDHK-WMLDXEAASA-N 2 2 320.452 3.087 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000680673192 549084385 /nfs/dbraw/zinc/08/43/85/549084385.db2.gz IBUSSKOORXIDHK-WMLDXEAASA-N 2 2 320.452 3.087 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1nc(C(F)(F)F)cs1 ZINC000681054174 549153296 /nfs/dbraw/zinc/15/32/96/549153296.db2.gz MDHSAQJNOAEZJP-IUCAKERBSA-N 2 2 316.352 3.024 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000681109064 549161754 /nfs/dbraw/zinc/16/17/54/549161754.db2.gz SHEJOHOSFMEQPE-FXAWDEMLSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000681109064 549161758 /nfs/dbraw/zinc/16/17/58/549161758.db2.gz SHEJOHOSFMEQPE-FXAWDEMLSA-N 2 2 316.489 3.182 20 0 DGADLP Clc1ccccc1-c1csc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000681399874 549203640 /nfs/dbraw/zinc/20/36/40/549203640.db2.gz HSTDAHIKAWQQTA-RYUDHWBXSA-N 2 2 319.861 3.115 20 0 DGADLP c1ccc(OCCCCC[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000682158869 549298956 /nfs/dbraw/zinc/29/89/56/549298956.db2.gz RPMSRVYRRRUJAX-GOSISDBHSA-N 2 2 302.462 3.310 20 0 DGADLP c1ccc(OCCCCC[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000682158869 549298958 /nfs/dbraw/zinc/29/89/58/549298958.db2.gz RPMSRVYRRRUJAX-GOSISDBHSA-N 2 2 302.462 3.310 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682732778 549364310 /nfs/dbraw/zinc/36/43/10/549364310.db2.gz PXHCSAGDKCHJBF-BEFAXECRSA-N 2 2 314.473 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000682732778 549364314 /nfs/dbraw/zinc/36/43/14/549364314.db2.gz PXHCSAGDKCHJBF-BEFAXECRSA-N 2 2 314.473 3.492 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682780907 549373461 /nfs/dbraw/zinc/37/34/61/549373461.db2.gz UCPSIFWUDYKYGH-KRWDZBQOSA-N 2 2 319.468 3.212 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000682780907 549373462 /nfs/dbraw/zinc/37/34/62/549373462.db2.gz UCPSIFWUDYKYGH-KRWDZBQOSA-N 2 2 319.468 3.212 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000683010099 549414829 /nfs/dbraw/zinc/41/48/29/549414829.db2.gz WRDKMQJIKMDOHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000683010099 549414832 /nfs/dbraw/zinc/41/48/32/549414832.db2.gz WRDKMQJIKMDOHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000683010099 549414836 /nfs/dbraw/zinc/41/48/36/549414836.db2.gz WRDKMQJIKMDOHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000683010099 549414839 /nfs/dbraw/zinc/41/48/39/549414839.db2.gz WRDKMQJIKMDOHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2c1 ZINC000683352391 549472669 /nfs/dbraw/zinc/47/26/69/549472669.db2.gz APPIFERILQJUJX-ZDUSSCGKSA-N 2 2 316.405 3.469 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2c1 ZINC000683352391 549472671 /nfs/dbraw/zinc/47/26/71/549472671.db2.gz APPIFERILQJUJX-ZDUSSCGKSA-N 2 2 316.405 3.469 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000683693785 549521187 /nfs/dbraw/zinc/52/11/87/549521187.db2.gz DANNNUBOSFWIFF-FUHWJXTLSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000683693785 549521190 /nfs/dbraw/zinc/52/11/90/549521190.db2.gz DANNNUBOSFWIFF-FUHWJXTLSA-N 2 2 304.865 3.414 20 0 DGADLP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000683771723 549533446 /nfs/dbraw/zinc/53/34/46/549533446.db2.gz HZTWKALMZCLSHC-HQRMLTQVSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000683771723 549533448 /nfs/dbraw/zinc/53/34/48/549533448.db2.gz HZTWKALMZCLSHC-HQRMLTQVSA-N 2 2 316.489 3.038 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000683771565 549534022 /nfs/dbraw/zinc/53/40/22/549534022.db2.gz DOFOAJDLXVYTDA-ZBFHGGJFSA-N 2 2 301.459 3.047 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684358963 549616846 /nfs/dbraw/zinc/61/68/46/549616846.db2.gz XHNZXDGNHTWUMJ-KRWDZBQOSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684358963 549616849 /nfs/dbraw/zinc/61/68/49/549616849.db2.gz XHNZXDGNHTWUMJ-KRWDZBQOSA-N 2 2 321.428 3.214 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000684391378 549627313 /nfs/dbraw/zinc/62/73/13/549627313.db2.gz SVMKVBUCMGSDQD-CABCVRRESA-N 2 2 301.434 3.053 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000684391381 549627640 /nfs/dbraw/zinc/62/76/40/549627640.db2.gz SVMKVBUCMGSDQD-LSDHHAIUSA-N 2 2 301.434 3.053 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H](CO)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000684560920 549660305 /nfs/dbraw/zinc/66/03/05/549660305.db2.gz ULARILRLLZJTFL-OALUTQOASA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H](CO)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000684560920 549660308 /nfs/dbraw/zinc/66/03/08/549660308.db2.gz ULARILRLLZJTFL-OALUTQOASA-N 2 2 316.489 3.180 20 0 DGADLP Oc1cccc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c12 ZINC000684579353 549664027 /nfs/dbraw/zinc/66/40/27/549664027.db2.gz IUKPUPZXPLRWTD-ZDUSSCGKSA-N 2 2 306.369 3.026 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000684611244 549668442 /nfs/dbraw/zinc/66/84/42/549668442.db2.gz CZPDMGWSJMFRDU-OCCSQVGLSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000684611244 549668445 /nfs/dbraw/zinc/66/84/45/549668445.db2.gz CZPDMGWSJMFRDU-OCCSQVGLSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421712 549756821 /nfs/dbraw/zinc/75/68/21/549756821.db2.gz PGCFWRJXINADNT-SWLSCSKDSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421712 549756823 /nfs/dbraw/zinc/75/68/23/549756823.db2.gz PGCFWRJXINADNT-SWLSCSKDSA-N 2 2 300.368 3.493 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685463073 549765356 /nfs/dbraw/zinc/76/53/56/549765356.db2.gz PRZPVDJZMCPAIA-SFAKSCPVSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685463073 549765358 /nfs/dbraw/zinc/76/53/58/549765358.db2.gz PRZPVDJZMCPAIA-SFAKSCPVSA-N 2 2 303.356 3.201 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c[nH+]1 ZINC000685473117 549767500 /nfs/dbraw/zinc/76/75/00/549767500.db2.gz OQTFYOSUPQYSMF-KRWDZBQOSA-N 2 2 318.848 3.342 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000685579709 549777483 /nfs/dbraw/zinc/77/74/83/549777483.db2.gz NORBMLXJQGUALY-UHFFFAOYSA-N 2 2 301.390 3.038 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000742374855 574993336 /nfs/dbraw/zinc/99/33/36/574993336.db2.gz IEEARJLDTNDRFR-TZMCWYRMSA-N 2 2 312.889 3.217 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1Cl ZINC000742374855 574993338 /nfs/dbraw/zinc/99/33/38/574993338.db2.gz IEEARJLDTNDRFR-TZMCWYRMSA-N 2 2 312.889 3.217 20 0 DGADLP Cc1c(C[NH2+]CC[N@H+]2CCC[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000742386361 574995212 /nfs/dbraw/zinc/99/52/12/574995212.db2.gz BPLLNWQZZWOXGX-NSHDSACASA-N 2 2 318.490 3.190 20 0 DGADLP Cc1c(C[NH2+]CC[N@@H+]2CCC[C@@H]2C)sc2nc(C)nc(C)c12 ZINC000742386361 574995214 /nfs/dbraw/zinc/99/52/14/574995214.db2.gz BPLLNWQZZWOXGX-NSHDSACASA-N 2 2 318.490 3.190 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393194 575049042 /nfs/dbraw/zinc/04/90/42/575049042.db2.gz JUEPTAFTYBHLHJ-OAHLLOKOSA-N 2 2 318.490 3.233 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393194 575049043 /nfs/dbraw/zinc/04/90/43/575049043.db2.gz JUEPTAFTYBHLHJ-OAHLLOKOSA-N 2 2 318.490 3.233 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393194 575049045 /nfs/dbraw/zinc/04/90/45/575049045.db2.gz JUEPTAFTYBHLHJ-OAHLLOKOSA-N 2 2 318.490 3.233 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393194 575049046 /nfs/dbraw/zinc/04/90/46/575049046.db2.gz JUEPTAFTYBHLHJ-OAHLLOKOSA-N 2 2 318.490 3.233 20 0 DGADLP C[NH+](C)CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000729528642 575254841 /nfs/dbraw/zinc/25/48/41/575254841.db2.gz BSKWKUSFDVNPRH-UHFFFAOYSA-N 2 2 320.824 3.196 20 0 DGADLP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1OC ZINC000729681407 575260129 /nfs/dbraw/zinc/26/01/29/575260129.db2.gz AFORYBAKVIFIOT-QGZVFWFLSA-N 2 2 320.477 3.448 20 0 DGADLP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000729681407 575260130 /nfs/dbraw/zinc/26/01/30/575260130.db2.gz AFORYBAKVIFIOT-QGZVFWFLSA-N 2 2 320.477 3.448 20 0 DGADLP CCCCCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1OC ZINC000729682158 575260329 /nfs/dbraw/zinc/26/03/29/575260329.db2.gz NYRXQDIGXMPJIQ-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCCCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1OC ZINC000729682158 575260332 /nfs/dbraw/zinc/26/03/32/575260332.db2.gz NYRXQDIGXMPJIQ-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669499 575531757 /nfs/dbraw/zinc/53/17/57/575531757.db2.gz PTWHPTYMKSGKDN-KBXCAEBGSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669499 575531759 /nfs/dbraw/zinc/53/17/59/575531759.db2.gz PTWHPTYMKSGKDN-KBXCAEBGSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750044461 575700048 /nfs/dbraw/zinc/70/00/48/575700048.db2.gz WCMPXCWHPGLATP-OAHLLOKOSA-N 2 2 320.396 3.223 20 0 DGADLP C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750044461 575700050 /nfs/dbraw/zinc/70/00/50/575700050.db2.gz WCMPXCWHPGLATP-OAHLLOKOSA-N 2 2 320.396 3.223 20 0 DGADLP CC(C)c1nc(N(CCc2ccccc2)CC[NH+](C)C)cc[nH+]1 ZINC000751233424 575776689 /nfs/dbraw/zinc/77/66/89/575776689.db2.gz RIXITJLYSVBZNL-UHFFFAOYSA-N 2 2 312.461 3.211 20 0 DGADLP CCc1cc(N2CCC([NH+]3CCCCC3)CC2)nc(CC)[nH+]1 ZINC000891891681 617921368 /nfs/dbraw/zinc/92/13/68/617921368.db2.gz AKFSJRFLZIAEJK-UHFFFAOYSA-N 2 2 302.466 3.056 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101729 617961846 /nfs/dbraw/zinc/96/18/46/617961846.db2.gz BSTMZWAAEJCRBY-YJBOKZPZSA-N 2 2 318.509 3.382 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101729 617961847 /nfs/dbraw/zinc/96/18/47/617961847.db2.gz BSTMZWAAEJCRBY-YJBOKZPZSA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101729 617961848 /nfs/dbraw/zinc/96/18/48/617961848.db2.gz BSTMZWAAEJCRBY-YJBOKZPZSA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101729 617961851 /nfs/dbraw/zinc/96/18/51/617961851.db2.gz BSTMZWAAEJCRBY-YJBOKZPZSA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892121443 617966919 /nfs/dbraw/zinc/96/69/19/617966919.db2.gz NBXGINLRUUZZHE-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892121443 617966921 /nfs/dbraw/zinc/96/69/21/617966921.db2.gz NBXGINLRUUZZHE-MRXNPFEDSA-N 2 2 318.509 3.241 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000892142308 617974219 /nfs/dbraw/zinc/97/42/19/617974219.db2.gz CXXXVKWHORTFPD-LJQANCHMSA-N 2 2 315.505 3.444 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000892142308 617974221 /nfs/dbraw/zinc/97/42/21/617974221.db2.gz CXXXVKWHORTFPD-LJQANCHMSA-N 2 2 315.505 3.444 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000892142308 617974222 /nfs/dbraw/zinc/97/42/22/617974222.db2.gz CXXXVKWHORTFPD-LJQANCHMSA-N 2 2 315.505 3.444 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000892142308 617974225 /nfs/dbraw/zinc/97/42/25/617974225.db2.gz CXXXVKWHORTFPD-LJQANCHMSA-N 2 2 315.505 3.444 20 0 DGADLP OCC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926427394 618014502 /nfs/dbraw/zinc/01/45/02/618014502.db2.gz ZHPLRLDFVZEKCO-KSZLIROESA-N 2 2 322.880 3.370 20 0 DGADLP OCC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926427394 618014505 /nfs/dbraw/zinc/01/45/05/618014505.db2.gz ZHPLRLDFVZEKCO-KSZLIROESA-N 2 2 322.880 3.370 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000892510184 618089846 /nfs/dbraw/zinc/08/98/46/618089846.db2.gz SSFDOIOAOWJEAT-UHFFFAOYSA-N 2 2 313.420 3.067 20 0 DGADLP Cc1cc(F)ncc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000892510184 618089849 /nfs/dbraw/zinc/08/98/49/618089849.db2.gz SSFDOIOAOWJEAT-UHFFFAOYSA-N 2 2 313.420 3.067 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000926753545 618109570 /nfs/dbraw/zinc/10/95/70/618109570.db2.gz NSWGNBRVXDPRFC-DLBZAZTESA-N 2 2 301.478 3.274 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000926753545 618109571 /nfs/dbraw/zinc/10/95/71/618109571.db2.gz NSWGNBRVXDPRFC-DLBZAZTESA-N 2 2 301.478 3.274 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000892651184 618126345 /nfs/dbraw/zinc/12/63/45/618126345.db2.gz WAJLTDQVKBDJBF-LBPRGKRZSA-N 2 2 307.467 3.063 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000892721394 618148263 /nfs/dbraw/zinc/14/82/63/618148263.db2.gz MMLLEKCVRWNSHK-OAHLLOKOSA-N 2 2 302.466 3.221 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000892721394 618148265 /nfs/dbraw/zinc/14/82/65/618148265.db2.gz MMLLEKCVRWNSHK-OAHLLOKOSA-N 2 2 302.466 3.221 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 ZINC000854222790 620785888 /nfs/dbraw/zinc/78/58/88/620785888.db2.gz MSVBYAAANWDNEK-CWFSZBLJSA-N 2 2 322.452 3.418 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924602919 618301295 /nfs/dbraw/zinc/30/12/95/618301295.db2.gz PDACAPMLTIJFCG-RBUKOAKNSA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924602919 618301302 /nfs/dbraw/zinc/30/13/02/618301302.db2.gz PDACAPMLTIJFCG-RBUKOAKNSA-N 2 2 302.462 3.330 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000892774853 618307226 /nfs/dbraw/zinc/30/72/26/618307226.db2.gz PNVPKGORBRBLMY-UHFFFAOYSA-N 2 2 306.450 3.423 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000892871100 618335807 /nfs/dbraw/zinc/33/58/07/618335807.db2.gz KLQSTLLXKWCXKB-UHFFFAOYSA-N 2 2 315.465 3.458 20 0 DGADLP Cc1cc(F)ncc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000894472080 618346324 /nfs/dbraw/zinc/34/63/24/618346324.db2.gz NQKKSDIUVZOGBR-UHFFFAOYSA-N 2 2 316.424 3.418 20 0 DGADLP COCCCCc1ccc[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894576451 618391129 /nfs/dbraw/zinc/39/11/29/618391129.db2.gz AUPAESBCIJBEPB-ALOPSCKCSA-N 2 2 303.450 3.088 20 0 DGADLP COCCCCc1ccc[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894576451 618391135 /nfs/dbraw/zinc/39/11/35/618391135.db2.gz AUPAESBCIJBEPB-ALOPSCKCSA-N 2 2 303.450 3.088 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925616352 618509912 /nfs/dbraw/zinc/50/99/12/618509912.db2.gz RGZLWCOEBPRQIJ-RPCCPQHDSA-N 2 2 304.459 3.238 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Br)cc1 ZINC000925653038 618520698 /nfs/dbraw/zinc/52/06/98/618520698.db2.gz VGQVNIAHKTWNAO-UPAJWPKDSA-N 2 2 321.262 3.096 20 0 DGADLP FC(F)(F)c1nc(C[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC000893361786 618530406 /nfs/dbraw/zinc/53/04/06/618530406.db2.gz TVCLHCZVPMPASQ-UHFFFAOYSA-N 2 2 316.352 3.149 20 0 DGADLP CO[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895111217 618539899 /nfs/dbraw/zinc/53/98/99/618539899.db2.gz CBGLFKMTDXUNJQ-QBPKDAKJSA-N 2 2 303.450 3.116 20 0 DGADLP CC[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895111804 618540690 /nfs/dbraw/zinc/54/06/90/618540690.db2.gz KKRBXYJXHHWKEG-QBPKDAKJSA-N 2 2 303.450 3.116 20 0 DGADLP CO[C@@H](CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)C1CCCC1 ZINC000895114314 618540995 /nfs/dbraw/zinc/54/09/95/618540995.db2.gz LPHDALCBQZPAGV-BZSNNMDCSA-N 2 2 317.477 3.363 20 0 DGADLP CC1(C)C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895114281 618541004 /nfs/dbraw/zinc/54/10/04/618541004.db2.gz KJLJUCGBAJKFHI-BZUAXINKSA-N 2 2 303.450 3.116 20 0 DGADLP COC1CCC(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895131474 618546757 /nfs/dbraw/zinc/54/67/57/618546757.db2.gz INDZDCOAGJUCBR-GFHJVICUSA-N 2 2 317.477 3.363 20 0 DGADLP Clc1cccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925721679 618550766 /nfs/dbraw/zinc/55/07/66/618550766.db2.gz DAYXXLRTEGJRAQ-HZPDHXFCSA-N 2 2 306.837 3.078 20 0 DGADLP Clc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925721679 618550768 /nfs/dbraw/zinc/55/07/68/618550768.db2.gz DAYXXLRTEGJRAQ-HZPDHXFCSA-N 2 2 306.837 3.078 20 0 DGADLP CCc1cc(N2CCC(CC)([NH+]3CCC3)CC2)nc(CC)[nH+]1 ZINC000895232184 618578273 /nfs/dbraw/zinc/57/82/73/618578273.db2.gz ZDCNVMVQFMMXSS-UHFFFAOYSA-N 2 2 302.466 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1OC(F)F ZINC000925777215 618616600 /nfs/dbraw/zinc/61/66/00/618616600.db2.gz CGRVVNVIGJOBHU-WDEREUQCSA-N 2 2 320.330 3.183 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000925794462 618621476 /nfs/dbraw/zinc/62/14/76/618621476.db2.gz LOBLWRLKHLRPEJ-DLBZAZTESA-N 2 2 306.425 3.025 20 0 DGADLP Cc1csc(CCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000924920245 618738976 /nfs/dbraw/zinc/73/89/76/618738976.db2.gz MKGXCYUSTGLEOR-JKSUJKDBSA-N 2 2 307.507 3.381 20 0 DGADLP Cc1csc(CCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000924920245 618738978 /nfs/dbraw/zinc/73/89/78/618738978.db2.gz MKGXCYUSTGLEOR-JKSUJKDBSA-N 2 2 307.507 3.381 20 0 DGADLP Cc1cc(C(F)(F)F)cc(NCc2cc(N(C)C)cc[nH+]2)[nH+]1 ZINC000895471047 618787769 /nfs/dbraw/zinc/78/77/69/618787769.db2.gz ITFCLWDVZDKCEV-UHFFFAOYSA-N 2 2 310.323 3.482 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000895508059 618792343 /nfs/dbraw/zinc/79/23/43/618792343.db2.gz DHWGHWOINZYYQM-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccnn1C1CCC1 ZINC000895508059 618792345 /nfs/dbraw/zinc/79/23/45/618792345.db2.gz DHWGHWOINZYYQM-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895670397 618815996 /nfs/dbraw/zinc/81/59/96/618815996.db2.gz GGHRZDXBVFCDEI-UHFFFAOYSA-N 2 2 324.472 3.445 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000895827208 618834086 /nfs/dbraw/zinc/83/40/86/618834086.db2.gz HMYCUJXBRTUFQZ-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP c1nc(C2CC2)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000896195721 618884107 /nfs/dbraw/zinc/88/41/07/618884107.db2.gz OYEOSZQOODVVMY-UHFFFAOYSA-N 2 2 314.458 3.492 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCO1 ZINC000896194564 618885505 /nfs/dbraw/zinc/88/55/05/618885505.db2.gz DDTDLVZMWXXIRR-DOTOQJQBSA-N 2 2 303.450 3.163 20 0 DGADLP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000896388453 618907225 /nfs/dbraw/zinc/90/72/25/618907225.db2.gz VPPYJKDSIIOOLG-SYJJWHGVSA-N 2 2 310.482 3.103 20 0 DGADLP CO[C@@H](C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CCCCC1 ZINC000896716597 618949949 /nfs/dbraw/zinc/94/99/49/618949949.db2.gz KBKIRGNXFHEYOA-OALUTQOASA-N 2 2 319.493 3.259 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccnc1 ZINC000896717631 618949961 /nfs/dbraw/zinc/94/99/61/618949961.db2.gz UEYMGCRPEOHIDW-GOSISDBHSA-N 2 2 319.399 3.185 20 0 DGADLP Clc1ccnc2c1CC[C@H]2[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925172548 619065822 /nfs/dbraw/zinc/06/58/22/619065822.db2.gz UBMJTZDSONDVNE-SMDDNHRTSA-N 2 2 302.809 3.086 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000841006027 619148574 /nfs/dbraw/zinc/14/85/74/619148574.db2.gz GJHORUXXAYTPEW-MSOLQXFVSA-N 2 2 324.896 3.459 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000924727714 619268342 /nfs/dbraw/zinc/26/83/42/619268342.db2.gz CIKNVYQKBJDGIE-CJNGLKHVSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000924730815 619269071 /nfs/dbraw/zinc/26/90/71/619269071.db2.gz RBIATRAHLOUEOY-HOCLYGCPSA-N 2 2 315.465 3.181 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccnn1CC1CCC1 ZINC000924731722 619272729 /nfs/dbraw/zinc/27/27/29/619272729.db2.gz KGFXJDLHQIDSCU-OAHLLOKOSA-N 2 2 301.438 3.011 20 0 DGADLP CC[NH+](CC)CCOc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000898703236 619291254 /nfs/dbraw/zinc/29/12/54/619291254.db2.gz IIVICKWNAACJEA-UHFFFAOYSA-N 2 2 316.449 3.359 20 0 DGADLP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cn2c([nH+]1)CCCC2 ZINC000924739455 619292548 /nfs/dbraw/zinc/29/25/48/619292548.db2.gz PDUHMCIILNDXDW-MDZRGWNJSA-N 2 2 318.509 3.381 20 0 DGADLP O=C(CNc1cccc[nH+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000900179949 619409628 /nfs/dbraw/zinc/40/96/28/619409628.db2.gz DFMDEWKGHGWCGJ-UHFFFAOYSA-N 2 2 324.428 3.118 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc2cc(Br)ccc2o1 ZINC000902412485 619628955 /nfs/dbraw/zinc/62/89/55/619628955.db2.gz AQEPODXFUDDEMJ-VIFPVBQESA-N 2 2 309.207 3.337 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902466100 619641521 /nfs/dbraw/zinc/64/15/21/619641521.db2.gz IUKMBNLLYCCJTN-LJISPDSOSA-N 2 2 321.262 3.227 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000902465326 619641562 /nfs/dbraw/zinc/64/15/62/619641562.db2.gz FOAOQPLUUAUYOY-GBJTYRQASA-N 2 2 309.251 3.383 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000902491193 619642512 /nfs/dbraw/zinc/64/25/12/619642512.db2.gz PXCIZJKYTUYMTI-LLVKDONJSA-N 2 2 313.430 3.070 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902482780 619645663 /nfs/dbraw/zinc/64/56/63/619645663.db2.gz NNLPCFFDCTUBEO-DZGCQCFKSA-N 2 2 315.461 3.099 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000902484963 619646090 /nfs/dbraw/zinc/64/60/90/619646090.db2.gz XPFKOQIZKNOSPB-RHSMWYFYSA-N 2 2 317.433 3.352 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721325 619665779 /nfs/dbraw/zinc/66/57/79/619665779.db2.gz VPMOTMMYDLDGDK-GFCCVEGCSA-N 2 2 303.372 3.483 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902724000 619666045 /nfs/dbraw/zinc/66/60/45/619666045.db2.gz VNIMJWTYEMFTGW-QAPCUYQASA-N 2 2 324.428 3.419 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742344 619668959 /nfs/dbraw/zinc/66/89/59/619668959.db2.gz OEQXGUOICZMUCV-RYUDHWBXSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742344 619668961 /nfs/dbraw/zinc/66/89/61/619668961.db2.gz OEQXGUOICZMUCV-RYUDHWBXSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@H]([NH2+]CCCC(C)(C)CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902817222 619681397 /nfs/dbraw/zinc/68/13/97/619681397.db2.gz XHGFLCZQFCDISW-HNNXBMFYSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903014603 619704748 /nfs/dbraw/zinc/70/47/48/619704748.db2.gz XXEOMOSUZJDEBU-AWEZNQCLSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903051777 619710910 /nfs/dbraw/zinc/71/09/10/619710910.db2.gz WVVGJPAXMNNWIS-CQSZACIVSA-N 2 2 321.428 3.334 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCOCC1 ZINC000903070866 619714894 /nfs/dbraw/zinc/71/48/94/619714894.db2.gz YKHMKNOZGHPFFI-OALUTQOASA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCOCC1 ZINC000903070866 619714897 /nfs/dbraw/zinc/71/48/97/619714897.db2.gz YKHMKNOZGHPFFI-OALUTQOASA-N 2 2 308.510 3.434 20 0 DGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(CC2CCC2)c1 ZINC000903164272 619728134 /nfs/dbraw/zinc/72/81/34/619728134.db2.gz KPQLSEOYJPPHKC-MNNVXMFVSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(CC2CCC2)c1 ZINC000903197012 619734302 /nfs/dbraw/zinc/73/43/02/619734302.db2.gz UTLXACRIVYFJQD-SNRMKQJTSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(CC2CCC2)c1 ZINC000903197012 619734304 /nfs/dbraw/zinc/73/43/04/619734304.db2.gz UTLXACRIVYFJQD-SNRMKQJTSA-N 2 2 316.493 3.351 20 0 DGADLP Fc1ccc2onc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)c2c1 ZINC000903211764 619739307 /nfs/dbraw/zinc/73/93/07/619739307.db2.gz HXHISBJBYAEHAI-LQDVMPOASA-N 2 2 315.392 3.214 20 0 DGADLP Fc1ccc2onc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)c2c1 ZINC000903211764 619739308 /nfs/dbraw/zinc/73/93/08/619739308.db2.gz HXHISBJBYAEHAI-LQDVMPOASA-N 2 2 315.392 3.214 20 0 DGADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000903254751 619745566 /nfs/dbraw/zinc/74/55/66/619745566.db2.gz RZIHFKQNBYKDOG-PPRPKMEESA-N 2 2 313.489 3.356 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccnc1 ZINC000903377935 619768170 /nfs/dbraw/zinc/76/81/70/619768170.db2.gz ODXYHFRMNVTEQR-ZWKOTPCHSA-N 2 2 317.477 3.156 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1(C)C ZINC000903380063 619768799 /nfs/dbraw/zinc/76/87/99/619768799.db2.gz JWSZYPQFGFZGSU-OKZBNKHCSA-N 2 2 319.493 3.256 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903190 619831829 /nfs/dbraw/zinc/83/18/29/619831829.db2.gz SJKQSTDDCCKRFX-WCQYABFASA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903190 619831832 /nfs/dbraw/zinc/83/18/32/619831832.db2.gz SJKQSTDDCCKRFX-WCQYABFASA-N 2 2 322.321 3.477 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903937162 619837772 /nfs/dbraw/zinc/83/77/72/619837772.db2.gz CUJCTWPPSHWOPJ-KBPBESRZSA-N 2 2 312.404 3.247 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903937162 619837774 /nfs/dbraw/zinc/83/77/74/619837774.db2.gz CUJCTWPPSHWOPJ-KBPBESRZSA-N 2 2 312.404 3.247 20 0 DGADLP c1c2ccccc2sc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971441 619846768 /nfs/dbraw/zinc/84/67/68/619846768.db2.gz BKNLRDZDGPRWGN-OAHLLOKOSA-N 2 2 316.470 3.150 20 0 DGADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000904327702 619913890 /nfs/dbraw/zinc/91/38/90/619913890.db2.gz HNAWASSPYVCBQE-AWEZNQCLSA-N 2 2 305.466 3.147 20 0 DGADLP c1cncc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)c1 ZINC000904431747 619921743 /nfs/dbraw/zinc/92/17/43/619921743.db2.gz ZMUPLLMJLBDTEX-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2)c1 ZINC000904431747 619921744 /nfs/dbraw/zinc/92/17/44/619921744.db2.gz ZMUPLLMJLBDTEX-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000905392295 619997035 /nfs/dbraw/zinc/99/70/35/619997035.db2.gz YDGPRIIVTVMKJO-RTBURBONSA-N 2 2 302.462 3.025 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000905392295 619997037 /nfs/dbraw/zinc/99/70/37/619997037.db2.gz YDGPRIIVTVMKJO-RTBURBONSA-N 2 2 302.462 3.025 20 0 DGADLP c1cn(Cc2cccc(-c3cnc([C@H]4CCCC[NH2+]4)nc3)c2)c[nH+]1 ZINC000906159056 620061187 /nfs/dbraw/zinc/06/11/87/620061187.db2.gz QCJLEPHPXHVTKJ-GOSISDBHSA-N 2 2 319.412 3.203 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000906198367 620074872 /nfs/dbraw/zinc/07/48/72/620074872.db2.gz TZKDHJQEGNNROS-MRXNPFEDSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000906198367 620074873 /nfs/dbraw/zinc/07/48/73/620074873.db2.gz TZKDHJQEGNNROS-MRXNPFEDSA-N 2 2 317.477 3.391 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906359727 620090284 /nfs/dbraw/zinc/09/02/84/620090284.db2.gz ORAOHILNSFTFOW-AWEZNQCLSA-N 2 2 305.466 3.247 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925405875 620512803 /nfs/dbraw/zinc/51/28/03/620512803.db2.gz XKSRBMIHNUWIJQ-ZBFHGGJFSA-N 2 2 319.518 3.171 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925405875 620512804 /nfs/dbraw/zinc/51/28/04/620512804.db2.gz XKSRBMIHNUWIJQ-ZBFHGGJFSA-N 2 2 319.518 3.171 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925405874 620512867 /nfs/dbraw/zinc/51/28/67/620512867.db2.gz XKSRBMIHNUWIJQ-HOCLYGCPSA-N 2 2 319.518 3.171 20 0 DGADLP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925405874 620512868 /nfs/dbraw/zinc/51/28/68/620512868.db2.gz XKSRBMIHNUWIJQ-HOCLYGCPSA-N 2 2 319.518 3.171 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921492627 620858708 /nfs/dbraw/zinc/85/87/08/620858708.db2.gz VMNTUMIDDFDXCO-UHFFFAOYSA-N 2 2 311.429 3.448 20 0 DGADLP Cc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1Br ZINC000921526685 620902508 /nfs/dbraw/zinc/90/25/08/620902508.db2.gz HJPSBWIPRNSGSN-GFCCVEGCSA-N 2 2 308.223 3.132 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921575836 620911304 /nfs/dbraw/zinc/91/13/04/620911304.db2.gz BRAFCEJXZUDPBT-INIZCTEOSA-N 2 2 301.438 3.009 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c[nH+]1 ZINC000921588490 620912146 /nfs/dbraw/zinc/91/21/46/620912146.db2.gz FDCXEVBBRBGOGF-CGTJXYLNSA-N 2 2 311.429 3.167 20 0 DGADLP c1nn(CC2CCC2)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000921666838 620929820 /nfs/dbraw/zinc/92/98/20/620929820.db2.gz JAPVHHPTPLECLJ-UHFFFAOYSA-N 2 2 313.449 3.060 20 0 DGADLP COC1(C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000922629272 621069562 /nfs/dbraw/zinc/06/95/62/621069562.db2.gz VLYOOWWCSTWXJP-KRWDZBQOSA-N 2 2 305.466 3.013 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc2ncccc12)c1cccnc1 ZINC000922629084 621069803 /nfs/dbraw/zinc/06/98/03/621069803.db2.gz IVNJMIHLKFDZNN-LJQANCHMSA-N 2 2 320.440 3.412 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925491797 621089197 /nfs/dbraw/zinc/08/91/97/621089197.db2.gz KFHDPMOEYCIKSA-WMLDXEAASA-N 2 2 320.502 3.360 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745830 621092993 /nfs/dbraw/zinc/09/29/93/621092993.db2.gz QASSYCXAILLGRN-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745830 621092994 /nfs/dbraw/zinc/09/29/94/621092994.db2.gz QASSYCXAILLGRN-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922950983 621136522 /nfs/dbraw/zinc/13/65/22/621136522.db2.gz HDDDATDGRJAPMG-IBGZPJMESA-N 2 2 310.441 3.183 20 0 DGADLP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922950983 621136526 /nfs/dbraw/zinc/13/65/26/621136526.db2.gz HDDDATDGRJAPMG-IBGZPJMESA-N 2 2 310.441 3.183 20 0 DGADLP CCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858126634 621155838 /nfs/dbraw/zinc/15/58/38/621155838.db2.gz DRRVCQAOAZXWTF-AWEZNQCLSA-N 2 2 300.450 3.019 20 0 DGADLP CCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858126634 621155840 /nfs/dbraw/zinc/15/58/40/621155840.db2.gz DRRVCQAOAZXWTF-AWEZNQCLSA-N 2 2 300.450 3.019 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858245992 621167570 /nfs/dbraw/zinc/16/75/70/621167570.db2.gz ZYPNTHWNXMRSNU-CYBMUJFWSA-N 2 2 312.889 3.018 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858245992 621167573 /nfs/dbraw/zinc/16/75/73/621167573.db2.gz ZYPNTHWNXMRSNU-CYBMUJFWSA-N 2 2 312.889 3.018 20 0 DGADLP COC(=O)CC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000858355758 621180489 /nfs/dbraw/zinc/18/04/89/621180489.db2.gz WNZWYHYXLOAIIZ-GPANFISMSA-N 2 2 321.465 3.009 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000858361979 621181157 /nfs/dbraw/zinc/18/11/57/621181157.db2.gz JRELVWVOQXOEKC-IPELMVKDSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000858361979 621181159 /nfs/dbraw/zinc/18/11/59/621181159.db2.gz JRELVWVOQXOEKC-IPELMVKDSA-N 2 2 302.462 3.324 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncccc2Cl)cc1 ZINC000859212856 621261039 /nfs/dbraw/zinc/26/10/39/621261039.db2.gz KJKIFVQRACZBBB-UHFFFAOYSA-N 2 2 303.837 3.429 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncccc2Cl)cc1 ZINC000859212856 621261040 /nfs/dbraw/zinc/26/10/40/621261040.db2.gz KJKIFVQRACZBBB-UHFFFAOYSA-N 2 2 303.837 3.429 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000859294132 621267843 /nfs/dbraw/zinc/26/78/43/621267843.db2.gz IUMDZCHGIYEVAO-OAHLLOKOSA-N 2 2 314.408 3.133 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccn1 ZINC000859294132 621267847 /nfs/dbraw/zinc/26/78/47/621267847.db2.gz IUMDZCHGIYEVAO-OAHLLOKOSA-N 2 2 314.408 3.133 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899365 621300833 /nfs/dbraw/zinc/30/08/33/621300833.db2.gz UXPROCQGLVNGAL-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899365 621300835 /nfs/dbraw/zinc/30/08/35/621300835.db2.gz UXPROCQGLVNGAL-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899365 621300840 /nfs/dbraw/zinc/30/08/40/621300840.db2.gz UXPROCQGLVNGAL-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899365 621300844 /nfs/dbraw/zinc/30/08/44/621300844.db2.gz UXPROCQGLVNGAL-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP COc1ccc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000753820052 621466652 /nfs/dbraw/zinc/46/66/52/621466652.db2.gz IODOZPRMSMDSJO-AWEZNQCLSA-N 2 2 320.396 3.329 20 0 DGADLP C[N@@H+](Cc1cc(Cl)nc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842203 621572068 /nfs/dbraw/zinc/57/20/68/621572068.db2.gz AYSYGQIJPZZZEO-LLVKDONJSA-N 2 2 302.249 3.162 20 0 DGADLP C[N@H+](Cc1cc(Cl)nc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842203 621572070 /nfs/dbraw/zinc/57/20/70/621572070.db2.gz AYSYGQIJPZZZEO-LLVKDONJSA-N 2 2 302.249 3.162 20 0 DGADLP C[NH+](Cc1cc(Cl)nc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842203 621572072 /nfs/dbraw/zinc/57/20/72/621572072.db2.gz AYSYGQIJPZZZEO-LLVKDONJSA-N 2 2 302.249 3.162 20 0 DGADLP C[NH+](Cc1cc(Cl)nc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842203 621572073 /nfs/dbraw/zinc/57/20/73/621572073.db2.gz AYSYGQIJPZZZEO-LLVKDONJSA-N 2 2 302.249 3.162 20 0 DGADLP Cc1c(F)nccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000862367381 621579946 /nfs/dbraw/zinc/57/99/46/621579946.db2.gz GVSKKHRQGHHGMD-UHFFFAOYSA-N 2 2 316.424 3.418 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000863653492 621694297 /nfs/dbraw/zinc/69/42/97/621694297.db2.gz LMVMAYKRLMHWGO-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000863653492 621694298 /nfs/dbraw/zinc/69/42/98/621694298.db2.gz LMVMAYKRLMHWGO-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484433 621932612 /nfs/dbraw/zinc/93/26/12/621932612.db2.gz WYDQFGNKQHSOAO-OXQOHEQNSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484433 621932616 /nfs/dbraw/zinc/93/26/16/621932616.db2.gz WYDQFGNKQHSOAO-OXQOHEQNSA-N 2 2 324.472 3.218 20 0 DGADLP CCc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000760865053 621969703 /nfs/dbraw/zinc/96/97/03/621969703.db2.gz SWSKPTHBBGMAJQ-LJQANCHMSA-N 2 2 315.505 3.245 20 0 DGADLP CCc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000760865053 621969706 /nfs/dbraw/zinc/96/97/06/621969706.db2.gz SWSKPTHBBGMAJQ-LJQANCHMSA-N 2 2 315.505 3.245 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660668 621973294 /nfs/dbraw/zinc/97/32/94/621973294.db2.gz QKKQZVOTWHDJIN-AEFFLSMTSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865660668 621973296 /nfs/dbraw/zinc/97/32/96/621973296.db2.gz QKKQZVOTWHDJIN-AEFFLSMTSA-N 2 2 324.472 3.076 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cc2)c[nH+]1 ZINC000865761988 621990780 /nfs/dbraw/zinc/99/07/80/621990780.db2.gz UJCSWBRFIVSWNX-HKUYNNGSSA-N 2 2 311.429 3.167 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)CC1(C)C ZINC000865786596 621995395 /nfs/dbraw/zinc/99/53/95/621995395.db2.gz GPTNNXHMWSHLSF-LBPRGKRZSA-N 2 2 316.367 3.390 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)CC1(C)C ZINC000865786596 621995397 /nfs/dbraw/zinc/99/53/97/621995397.db2.gz GPTNNXHMWSHLSF-LBPRGKRZSA-N 2 2 316.367 3.390 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CCC(C)(O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000761311321 622000595 /nfs/dbraw/zinc/00/05/95/622000595.db2.gz PDQYZLRGTCFQGQ-QPIRBTGLSA-N 2 2 316.489 3.323 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CCC(C)(O)CC2)C[N@H+]1Cc1ccccc1 ZINC000761311321 622000597 /nfs/dbraw/zinc/00/05/97/622000597.db2.gz PDQYZLRGTCFQGQ-QPIRBTGLSA-N 2 2 316.489 3.323 20 0 DGADLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000866206089 622066213 /nfs/dbraw/zinc/06/62/13/622066213.db2.gz BEHFAHMRYGGQFG-IUODEOHRSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000866206089 622066216 /nfs/dbraw/zinc/06/62/16/622066216.db2.gz BEHFAHMRYGGQFG-IUODEOHRSA-N 2 2 301.821 3.419 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000762477144 622078796 /nfs/dbraw/zinc/07/87/96/622078796.db2.gz UORIUJDIKZPWRN-JFIYKMOQSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000762477144 622078797 /nfs/dbraw/zinc/07/87/97/622078797.db2.gz UORIUJDIKZPWRN-JFIYKMOQSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361289 622102858 /nfs/dbraw/zinc/10/28/58/622102858.db2.gz MHPFVOBHZYRERH-RHSMWYFYSA-N 2 2 320.440 3.426 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450084 622120834 /nfs/dbraw/zinc/12/08/34/622120834.db2.gz NSQUAQFSCPBLAQ-DZJNRPSUSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450084 622120838 /nfs/dbraw/zinc/12/08/38/622120838.db2.gz NSQUAQFSCPBLAQ-DZJNRPSUSA-N 2 2 305.441 3.162 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000764975562 622237280 /nfs/dbraw/zinc/23/72/80/622237280.db2.gz QGZBQUKJEDCLGS-SFHVURJKSA-N 2 2 306.413 3.197 20 0 DGADLP Cc1cc(C)cc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)c1 ZINC000765857734 622291770 /nfs/dbraw/zinc/29/17/70/622291770.db2.gz DZKRUXSNPSBWHK-FQEVSTJZSA-N 2 2 309.457 3.472 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccnc(Cl)c1 ZINC000765974969 622298150 /nfs/dbraw/zinc/29/81/50/622298150.db2.gz JMCVWIXPRZLNGA-XJKSGUPXSA-N 2 2 323.868 3.029 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872023559 622757328 /nfs/dbraw/zinc/75/73/28/622757328.db2.gz ISBKNMWIGUKWGN-HOTGVXAUSA-N 2 2 305.466 3.379 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129434 622824345 /nfs/dbraw/zinc/82/43/45/622824345.db2.gz BFWPTEIAJZNFJG-DMDPSCGWSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129434 622824349 /nfs/dbraw/zinc/82/43/49/622824349.db2.gz BFWPTEIAJZNFJG-DMDPSCGWSA-N 2 2 301.356 3.234 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)CC1 ZINC000872130789 622825385 /nfs/dbraw/zinc/82/53/85/622825385.db2.gz QWZNTLIVTGFORD-LLVKDONJSA-N 2 2 301.356 3.235 20 0 DGADLP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2C1 ZINC000872143334 622832252 /nfs/dbraw/zinc/83/22/52/622832252.db2.gz OUMMYEIQOGWUSC-RHSMWYFYSA-N 2 2 317.477 3.154 20 0 DGADLP CC1(C)CCc2onc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2C1 ZINC000872143334 622832254 /nfs/dbraw/zinc/83/22/54/622832254.db2.gz OUMMYEIQOGWUSC-RHSMWYFYSA-N 2 2 317.477 3.154 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1C(F)(F)F ZINC000872149254 622833368 /nfs/dbraw/zinc/83/33/68/622833368.db2.gz MYESMIFXJKSSBP-MWLCHTKSSA-N 2 2 324.749 3.091 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1C(F)(F)F ZINC000872149254 622833370 /nfs/dbraw/zinc/83/33/70/622833370.db2.gz MYESMIFXJKSSBP-MWLCHTKSSA-N 2 2 324.749 3.091 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150646 622834372 /nfs/dbraw/zinc/83/43/72/622834372.db2.gz YLPBCAUIRYXKJZ-KBPBESRZSA-N 2 2 315.383 3.082 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150646 622834375 /nfs/dbraw/zinc/83/43/75/622834375.db2.gz YLPBCAUIRYXKJZ-KBPBESRZSA-N 2 2 315.383 3.082 20 0 DGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCCCC[NH3+] ZINC000872155516 622837241 /nfs/dbraw/zinc/83/72/41/622837241.db2.gz OEKKNZXRPYGOMY-OAHLLOKOSA-N 2 2 312.841 3.005 20 0 DGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155516 622837246 /nfs/dbraw/zinc/83/72/46/622837246.db2.gz OEKKNZXRPYGOMY-OAHLLOKOSA-N 2 2 312.841 3.005 20 0 DGADLP CCc1nc(N2CCC(C)([NH+]3CCCCC3)CC2)cc(C)[nH+]1 ZINC000872662398 622949293 /nfs/dbraw/zinc/94/92/93/622949293.db2.gz HWXZGRMHQTXDDZ-UHFFFAOYSA-N 2 2 302.466 3.192 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773067237 622976608 /nfs/dbraw/zinc/97/66/08/622976608.db2.gz TYOMPCSJXDLSGF-AYOQOUSVSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000773067237 622976611 /nfs/dbraw/zinc/97/66/11/622976611.db2.gz TYOMPCSJXDLSGF-AYOQOUSVSA-N 2 2 324.472 3.287 20 0 DGADLP COCC(C)(C)CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000873279984 623102208 /nfs/dbraw/zinc/10/22/08/623102208.db2.gz NUNKGUXOHARDLS-ZWKOTPCHSA-N 2 2 320.477 3.141 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1c[nH+]ccc1N ZINC000873282315 623102808 /nfs/dbraw/zinc/10/28/08/623102808.db2.gz UAWOUVAREKLTKM-MRVPVSSYSA-N 2 2 301.337 3.425 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000774132548 623110704 /nfs/dbraw/zinc/11/07/04/623110704.db2.gz BOTXHKSEDJXUTN-DOMZBBRYSA-N 2 2 319.405 3.028 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)o1 ZINC000774184861 623117228 /nfs/dbraw/zinc/11/72/28/623117228.db2.gz DNLRTMNSFVDIAK-YOEHRIQHSA-N 2 2 306.450 3.190 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)o1 ZINC000774184859 623117524 /nfs/dbraw/zinc/11/75/24/623117524.db2.gz DNLRTMNSFVDIAK-WMLDXEAASA-N 2 2 306.450 3.190 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)CCCOC)cc2)CC1 ZINC000776804814 623465599 /nfs/dbraw/zinc/46/55/99/623465599.db2.gz GXTFTJTUZNEZIE-INIZCTEOSA-N 2 2 305.466 3.056 20 0 DGADLP FC(F)Sc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778189665 623621911 /nfs/dbraw/zinc/62/19/11/623621911.db2.gz SRSQDOBHVRCAGI-GFCCVEGCSA-N 2 2 309.385 3.302 20 0 DGADLP Fc1cccc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000876619730 623661363 /nfs/dbraw/zinc/66/13/63/623661363.db2.gz DHEMBUUHEZPSQG-HNNXBMFYSA-N 2 2 310.376 3.477 20 0 DGADLP Fc1cccc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000876619730 623661369 /nfs/dbraw/zinc/66/13/69/623661369.db2.gz DHEMBUUHEZPSQG-HNNXBMFYSA-N 2 2 310.376 3.477 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cnn1-c1ccccc1 ZINC000779067399 623726342 /nfs/dbraw/zinc/72/63/42/623726342.db2.gz WUTTZQBVOYNQBI-GOEBONIOSA-N 2 2 321.428 3.043 20 0 DGADLP ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000876921428 623744600 /nfs/dbraw/zinc/74/46/00/623744600.db2.gz OUUICTODBVAULC-CQSZACIVSA-N 2 2 310.228 3.215 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000876956108 623753628 /nfs/dbraw/zinc/75/36/28/623753628.db2.gz GYNUOBOJMYPANX-SFHVURJKSA-N 2 2 323.444 3.339 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876985892 623759583 /nfs/dbraw/zinc/75/95/83/623759583.db2.gz USPUAJUWRMVUCO-INIZCTEOSA-N 2 2 319.449 3.217 20 0 DGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876985892 623759586 /nfs/dbraw/zinc/75/95/86/623759586.db2.gz USPUAJUWRMVUCO-INIZCTEOSA-N 2 2 319.449 3.217 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877034081 623771718 /nfs/dbraw/zinc/77/17/18/623771718.db2.gz XMKXLMXHVXCAFG-PXNSSMCTSA-N 2 2 324.472 3.430 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]n1 ZINC000877034081 623771720 /nfs/dbraw/zinc/77/17/20/623771720.db2.gz XMKXLMXHVXCAFG-PXNSSMCTSA-N 2 2 324.472 3.430 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(Cl)cc1O ZINC000877073839 623784191 /nfs/dbraw/zinc/78/41/91/623784191.db2.gz TWMFWQMHIQKTNB-OLZOCXBDSA-N 2 2 312.841 3.017 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000877486460 623907011 /nfs/dbraw/zinc/90/70/11/623907011.db2.gz NMVMAWKRFJRSEU-ZSDSOXJFSA-N 2 2 318.442 3.419 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000877486460 623907014 /nfs/dbraw/zinc/90/70/14/623907014.db2.gz NMVMAWKRFJRSEU-ZSDSOXJFSA-N 2 2 318.442 3.419 20 0 DGADLP Cl/C=C(/Cl)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780329686 623912291 /nfs/dbraw/zinc/91/22/91/623912291.db2.gz FKAURCXQSOHMHK-NTCAYCPXSA-N 2 2 321.292 3.130 20 0 DGADLP Cc1ncc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000780728757 623974217 /nfs/dbraw/zinc/97/42/17/623974217.db2.gz HJRXMJVRYCWYMP-UHFFFAOYSA-N 2 2 321.412 3.000 20 0 DGADLP Cc1c(Cl)cccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642566 623974922 /nfs/dbraw/zinc/97/49/22/623974922.db2.gz MRMZKNBXTCXRAV-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1c(Cl)cccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642566 623974930 /nfs/dbraw/zinc/97/49/30/623974930.db2.gz MRMZKNBXTCXRAV-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)[C@@H]3CCCOC3)cc2)CC1 ZINC000780738678 623975884 /nfs/dbraw/zinc/97/58/84/623975884.db2.gz FUDRACBTVZOICU-IAGOWNOFSA-N 2 2 317.477 3.056 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738396 624010843 /nfs/dbraw/zinc/01/08/43/624010843.db2.gz BNAPMZCLJZAQAP-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738396 624010846 /nfs/dbraw/zinc/01/08/46/624010846.db2.gz BNAPMZCLJZAQAP-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738396 624010847 /nfs/dbraw/zinc/01/08/47/624010847.db2.gz BNAPMZCLJZAQAP-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3c(F)cccc3Cl)CC[C@@H]21 ZINC000877738396 624010850 /nfs/dbraw/zinc/01/08/50/624010850.db2.gz BNAPMZCLJZAQAP-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742634 624015559 /nfs/dbraw/zinc/01/55/59/624015559.db2.gz QGNVHLCVEZWCLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742634 624015562 /nfs/dbraw/zinc/01/55/62/624015562.db2.gz QGNVHLCVEZWCLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742634 624015564 /nfs/dbraw/zinc/01/55/64/624015564.db2.gz QGNVHLCVEZWCLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CC[C@@H]21 ZINC000877742634 624015567 /nfs/dbraw/zinc/01/55/67/624015567.db2.gz QGNVHLCVEZWCLF-YOEHRIQHSA-N 2 2 315.848 3.414 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccn3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877816060 624047065 /nfs/dbraw/zinc/04/70/65/624047065.db2.gz BXFHPBFNIJIGFE-AZUAARDMSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877816060 624047070 /nfs/dbraw/zinc/04/70/70/624047070.db2.gz BXFHPBFNIJIGFE-AZUAARDMSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](Cc1ccccn1)C2 ZINC000877816060 624047077 /nfs/dbraw/zinc/04/70/77/624047077.db2.gz BXFHPBFNIJIGFE-AZUAARDMSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000877816060 624047080 /nfs/dbraw/zinc/04/70/80/624047080.db2.gz BXFHPBFNIJIGFE-AZUAARDMSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3cccnc3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877817242 624048791 /nfs/dbraw/zinc/04/87/91/624048791.db2.gz QCTQXAZIKBHHKB-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3cccnc3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877817242 624048798 /nfs/dbraw/zinc/04/87/98/624048798.db2.gz QCTQXAZIKBHHKB-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000877817242 624048803 /nfs/dbraw/zinc/04/88/03/624048803.db2.gz QCTQXAZIKBHHKB-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000877817242 624048809 /nfs/dbraw/zinc/04/88/09/624048809.db2.gz QCTQXAZIKBHHKB-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccncc3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877817484 624048888 /nfs/dbraw/zinc/04/88/88/624048888.db2.gz RDJRJGQVBREQGG-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccncc3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877817484 624048894 /nfs/dbraw/zinc/04/88/94/624048894.db2.gz RDJRJGQVBREQGG-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](Cc1ccncc1)C2 ZINC000877817484 624048897 /nfs/dbraw/zinc/04/88/97/624048897.db2.gz RDJRJGQVBREQGG-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000877817484 624048903 /nfs/dbraw/zinc/04/89/03/624048903.db2.gz RDJRJGQVBREQGG-VQTJNVASSA-N 2 2 307.441 3.036 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397762 624266132 /nfs/dbraw/zinc/26/61/32/624266132.db2.gz SMBYTXRKXCZWSZ-FXECBMLZSA-N 2 2 311.429 3.481 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396747 624266235 /nfs/dbraw/zinc/26/62/35/624266235.db2.gz KOJVBOSIVAULIT-CRAIPNDOSA-N 2 2 311.429 3.482 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)c[nH+]1 ZINC000878402498 624268059 /nfs/dbraw/zinc/26/80/59/624268059.db2.gz KRFFCRIFRCZBMC-CEXWTWQISA-N 2 2 317.477 3.333 20 0 DGADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000783031955 624302142 /nfs/dbraw/zinc/30/21/42/624302142.db2.gz MQLPEOKQMAQMKW-IBGZPJMESA-N 2 2 313.445 3.109 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000879206075 624451114 /nfs/dbraw/zinc/45/11/14/624451114.db2.gz DTXYFEIWQWFPGB-GOSISDBHSA-N 2 2 320.452 3.200 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCN3CCc4ccccc43)c2)c[nH+]1 ZINC000784512799 624538964 /nfs/dbraw/zinc/53/89/64/624538964.db2.gz LHVAHLKCPRXEFX-UHFFFAOYSA-N 2 2 324.453 3.086 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC000879453741 624552992 /nfs/dbraw/zinc/55/29/92/624552992.db2.gz OWOAVIWFMAAEHP-GOSISDBHSA-N 2 2 319.399 3.338 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC000879453741 624552995 /nfs/dbraw/zinc/55/29/95/624552995.db2.gz OWOAVIWFMAAEHP-GOSISDBHSA-N 2 2 319.399 3.338 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)on2)cc1 ZINC000879568841 624594122 /nfs/dbraw/zinc/59/41/22/624594122.db2.gz DHFAZBYAEIOZRR-LPHOPBHVSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568841 624594125 /nfs/dbraw/zinc/59/41/25/624594125.db2.gz DHFAZBYAEIOZRR-LPHOPBHVSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568841 624594132 /nfs/dbraw/zinc/59/41/32/624594132.db2.gz DHFAZBYAEIOZRR-LPHOPBHVSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568841 624594135 /nfs/dbraw/zinc/59/41/35/624594135.db2.gz DHFAZBYAEIOZRR-LPHOPBHVSA-N 2 2 311.429 3.176 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573816 624595950 /nfs/dbraw/zinc/59/59/50/624595950.db2.gz SBFGPYSWLDMITM-LPHOPBHVSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573816 624595956 /nfs/dbraw/zinc/59/59/56/624595956.db2.gz SBFGPYSWLDMITM-LPHOPBHVSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573816 624595960 /nfs/dbraw/zinc/59/59/60/624595960.db2.gz SBFGPYSWLDMITM-LPHOPBHVSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573816 624595965 /nfs/dbraw/zinc/59/59/65/624595965.db2.gz SBFGPYSWLDMITM-LPHOPBHVSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580288 624598044 /nfs/dbraw/zinc/59/80/44/624598044.db2.gz SGGROWDIOSESPB-SWLSCSKDSA-N 2 2 312.429 3.083 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580288 624598048 /nfs/dbraw/zinc/59/80/48/624598048.db2.gz SGGROWDIOSESPB-SWLSCSKDSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580288 624598053 /nfs/dbraw/zinc/59/80/53/624598053.db2.gz SGGROWDIOSESPB-SWLSCSKDSA-N 2 2 312.429 3.083 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCSc3ccc(F)cc3F)CC[C@H]21 ZINC000879580288 624598057 /nfs/dbraw/zinc/59/80/57/624598057.db2.gz SGGROWDIOSESPB-SWLSCSKDSA-N 2 2 312.429 3.083 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141369 624804597 /nfs/dbraw/zinc/80/45/97/624804597.db2.gz ICMZSZIVQDQWPT-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141369 624804599 /nfs/dbraw/zinc/80/45/99/624804599.db2.gz ICMZSZIVQDQWPT-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000880141369 624804601 /nfs/dbraw/zinc/80/46/01/624804601.db2.gz ICMZSZIVQDQWPT-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C)c1ccccc1 ZINC000880141369 624804604 /nfs/dbraw/zinc/80/46/04/624804604.db2.gz ICMZSZIVQDQWPT-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCC1 ZINC000880568614 624979263 /nfs/dbraw/zinc/97/92/63/624979263.db2.gz BJKYTRLMHWAYMS-OALUTQOASA-N 2 2 313.445 3.419 20 0 DGADLP Cc1nc(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000880569471 624979422 /nfs/dbraw/zinc/97/94/22/624979422.db2.gz LVFWOJVXFWZHGX-KRWDZBQOSA-N 2 2 312.442 3.222 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)c2ccccc2)c[nH+]1 ZINC000880569703 624979518 /nfs/dbraw/zinc/97/95/18/624979518.db2.gz IFOKHULDTHUIMG-ROUUACIJSA-N 2 2 311.429 3.173 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)c2ccccc2)c[nH+]1 ZINC000880569965 624980222 /nfs/dbraw/zinc/98/02/22/624980222.db2.gz NEMRWWMCDWHUKG-MSOLQXFVSA-N 2 2 311.429 3.316 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000788500205 625200068 /nfs/dbraw/zinc/20/00/68/625200068.db2.gz ZDWAIMLCUKSVIN-MAUKXSAKSA-N 2 2 311.429 3.275 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612740 625229840 /nfs/dbraw/zinc/22/98/40/625229840.db2.gz VGJFCJRYXHVXBA-CRAIPNDOSA-N 2 2 311.429 3.102 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612740 625229843 /nfs/dbraw/zinc/22/98/43/625229843.db2.gz VGJFCJRYXHVXBA-CRAIPNDOSA-N 2 2 311.429 3.102 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000883107218 625928959 /nfs/dbraw/zinc/92/89/59/625928959.db2.gz RKLPMKNFRABONN-QGZVFWFLSA-N 2 2 312.461 3.145 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000883107218 625928960 /nfs/dbraw/zinc/92/89/60/625928960.db2.gz RKLPMKNFRABONN-QGZVFWFLSA-N 2 2 312.461 3.145 20 0 DGADLP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796288582 626035554 /nfs/dbraw/zinc/03/55/54/626035554.db2.gz HTRSXKZTTLIVFU-INIZCTEOSA-N 2 2 301.459 3.290 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000796342708 626040632 /nfs/dbraw/zinc/04/06/32/626040632.db2.gz YBELLCVTQBEYAJ-GFCCVEGCSA-N 2 2 322.503 3.137 20 0 DGADLP Cc1cc([NH+](C)C)cc(C)c1NCc1ncc(C[NH+](C)C)s1 ZINC000796355602 626041971 /nfs/dbraw/zinc/04/19/71/626041971.db2.gz HOQLCLKNLBJCQB-UHFFFAOYSA-N 2 2 318.490 3.500 20 0 DGADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccccc1 ZINC000796362871 626043133 /nfs/dbraw/zinc/04/31/33/626043133.db2.gz MICOIIQFWYZBCT-HXUWFJFHSA-N 2 2 321.424 3.119 20 0 DGADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccccc1 ZINC000796362871 626043134 /nfs/dbraw/zinc/04/31/34/626043134.db2.gz MICOIIQFWYZBCT-HXUWFJFHSA-N 2 2 321.424 3.119 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797064759 626109627 /nfs/dbraw/zinc/10/96/27/626109627.db2.gz JMZHOODFZRQLBU-KDOFPFPSSA-N 2 2 319.518 3.063 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000798003533 626188658 /nfs/dbraw/zinc/18/86/58/626188658.db2.gz DLXHPJMFFOLFRT-PMACEKPBSA-N 2 2 313.489 3.500 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](c4ccccn4)C3)cc2)c[nH+]1 ZINC000798963983 626263693 /nfs/dbraw/zinc/26/36/93/626263693.db2.gz HMTYKUDUAFYUAF-QGZVFWFLSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](c4ccccn4)C3)cc2)c[nH+]1 ZINC000798963983 626263696 /nfs/dbraw/zinc/26/36/96/626263696.db2.gz HMTYKUDUAFYUAF-QGZVFWFLSA-N 2 2 304.397 3.257 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346886 626353361 /nfs/dbraw/zinc/35/33/61/626353361.db2.gz LDZGBUMTCHCHAW-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346886 626353363 /nfs/dbraw/zinc/35/33/63/626353363.db2.gz LDZGBUMTCHCHAW-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346886 626353366 /nfs/dbraw/zinc/35/33/66/626353366.db2.gz LDZGBUMTCHCHAW-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346886 626353367 /nfs/dbraw/zinc/35/33/67/626353367.db2.gz LDZGBUMTCHCHAW-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CCC1 ZINC000883217050 626612149 /nfs/dbraw/zinc/61/21/49/626612149.db2.gz AXPSKBFJLUBILT-GOSISDBHSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253268 626625084 /nfs/dbraw/zinc/62/50/84/626625084.db2.gz NJRSSGPHCXBMCJ-APWZRJJASA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253268 626625087 /nfs/dbraw/zinc/62/50/87/626625087.db2.gz NJRSSGPHCXBMCJ-APWZRJJASA-N 2 2 313.489 3.462 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000883357432 626659575 /nfs/dbraw/zinc/65/95/75/626659575.db2.gz LDBOYMXXDPZGEL-CQSZACIVSA-N 2 2 320.399 3.095 20 0 DGADLP C[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883378684 626666871 /nfs/dbraw/zinc/66/68/71/626666871.db2.gz UYTQKAGSSBMWBW-HNNXBMFYSA-N 2 2 311.429 3.482 20 0 DGADLP F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883381664 626667532 /nfs/dbraw/zinc/66/75/32/626667532.db2.gz QWWOGYFDGIKKOX-RTBURBONSA-N 2 2 322.387 3.383 20 0 DGADLP FCC1(CF)CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387628 626669599 /nfs/dbraw/zinc/66/95/99/626669599.db2.gz ASRNAZIGFKCMSR-INIZCTEOSA-N 2 2 305.372 3.302 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883432842 626681188 /nfs/dbraw/zinc/68/11/88/626681188.db2.gz BHZIZYUZMRXQBG-UKPHBRMFSA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C(C)(C)O1 ZINC000883432842 626681193 /nfs/dbraw/zinc/68/11/93/626681193.db2.gz BHZIZYUZMRXQBG-UKPHBRMFSA-N 2 2 320.452 3.146 20 0 DGADLP CC1(C)C[C@@H](C[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])C(C)(C)O1 ZINC000883434688 626681513 /nfs/dbraw/zinc/68/15/13/626681513.db2.gz YMPRJYAGVHAZRB-RDJZCZTQSA-N 2 2 302.462 3.138 20 0 DGADLP CC1(C)C[C@@H](C[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])C(C)(C)O1 ZINC000883434688 626681515 /nfs/dbraw/zinc/68/15/15/626681515.db2.gz YMPRJYAGVHAZRB-RDJZCZTQSA-N 2 2 302.462 3.138 20 0 DGADLP Cc1ccc2c(C[N@@H+]3[C@@H](C)[C@@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445626 626683856 /nfs/dbraw/zinc/68/38/56/626683856.db2.gz GYOSONAIEGMGKY-DZKIICNBSA-N 2 2 314.429 3.049 20 0 DGADLP Cc1ccc2c(C[N@H+]3[C@@H](C)[C@@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445626 626683858 /nfs/dbraw/zinc/68/38/58/626683858.db2.gz GYOSONAIEGMGKY-DZKIICNBSA-N 2 2 314.429 3.049 20 0 DGADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000884208438 626848619 /nfs/dbraw/zinc/84/86/19/626848619.db2.gz AEZPIKXPKQTKIL-AWEZNQCLSA-N 2 2 300.406 3.025 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCO2 ZINC000810255255 626994029 /nfs/dbraw/zinc/99/40/29/626994029.db2.gz YLEPAJMRLXOYME-CVEARBPZSA-N 2 2 311.429 3.333 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)c1OC ZINC000885927300 627061957 /nfs/dbraw/zinc/06/19/57/627061957.db2.gz PDHLWGZQYGXUKA-UHFFFAOYSA-N 2 2 324.440 3.195 20 0 DGADLP Cc1coc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000885941637 627065131 /nfs/dbraw/zinc/06/51/31/627065131.db2.gz DIXOVZHSBSLONG-INIZCTEOSA-N 2 2 314.429 3.099 20 0 DGADLP Cc1coc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000885941637 627065133 /nfs/dbraw/zinc/06/51/33/627065133.db2.gz DIXOVZHSBSLONG-INIZCTEOSA-N 2 2 314.429 3.099 20 0 DGADLP C[C@@H](COCc1ccccc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000886035545 627089852 /nfs/dbraw/zinc/08/98/52/627089852.db2.gz OEXOWDYYPLTDRM-MRXNPFEDSA-N 2 2 313.445 3.442 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C ZINC000886044514 627092180 /nfs/dbraw/zinc/09/21/80/627092180.db2.gz YYAWOXVHCJJKCD-LJQANCHMSA-N 2 2 323.444 3.371 20 0 DGADLP FC(F)COc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000886102242 627105321 /nfs/dbraw/zinc/10/53/21/627105321.db2.gz BNALBFVDWHJEGH-UHFFFAOYSA-N 2 2 324.415 3.437 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886122732 627108813 /nfs/dbraw/zinc/10/88/13/627108813.db2.gz IXMOHVWHCGTKPG-ZOCIIQOWSA-N 2 2 311.429 3.481 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886175422 627117790 /nfs/dbraw/zinc/11/77/90/627117790.db2.gz ZYCHTFZEVBRZGN-PKOBYXMFSA-N 2 2 316.445 3.191 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ccccc1 ZINC000886534205 627158433 /nfs/dbraw/zinc/15/84/33/627158433.db2.gz DBKGQWOFJGRZGD-QZTJIDSGSA-N 2 2 318.424 3.376 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nnc(C(C)(C)C)o3)CC2)[nH+]c1C ZINC000886670294 627185718 /nfs/dbraw/zinc/18/57/18/627185718.db2.gz MJWZCSZGFNAJJT-UHFFFAOYSA-N 2 2 317.437 3.087 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000886709638 627195825 /nfs/dbraw/zinc/19/58/25/627195825.db2.gz VFARJWJMHFCVRD-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000886872486 627211714 /nfs/dbraw/zinc/21/17/14/627211714.db2.gz TYAFMLKDGGIIRT-IBGZPJMESA-N 2 2 311.429 3.307 20 0 DGADLP c1c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)noc1-c1ccccc1 ZINC000886872486 627211716 /nfs/dbraw/zinc/21/17/16/627211716.db2.gz TYAFMLKDGGIIRT-IBGZPJMESA-N 2 2 311.429 3.307 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924629304 627660045 /nfs/dbraw/zinc/66/00/45/627660045.db2.gz QEZAJIYJJHNAID-CQSZACIVSA-N 2 2 304.434 3.186 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924699767 627670090 /nfs/dbraw/zinc/67/00/90/627670090.db2.gz ULIGEVMSRGYWBC-ZWKOTPCHSA-N 2 2 315.461 3.142 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924699767 627670091 /nfs/dbraw/zinc/67/00/91/627670091.db2.gz ULIGEVMSRGYWBC-ZWKOTPCHSA-N 2 2 315.461 3.142 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000924751459 627676262 /nfs/dbraw/zinc/67/62/62/627676262.db2.gz KTHOWTHVAFKMSJ-BBRMVZONSA-N 2 2 308.853 3.233 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000924751459 627676266 /nfs/dbraw/zinc/67/62/66/627676266.db2.gz KTHOWTHVAFKMSJ-BBRMVZONSA-N 2 2 308.853 3.233 20 0 DGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924767586 627677715 /nfs/dbraw/zinc/67/77/15/627677715.db2.gz BNCKJDSCZWSHAH-AEFFLSMTSA-N 2 2 301.434 3.292 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c[nH+]1 ZINC000924769573 627677921 /nfs/dbraw/zinc/67/79/21/627677921.db2.gz KARMVMDAVTZKTI-MJGOQNOKSA-N 2 2 311.429 3.167 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924890737 627691203 /nfs/dbraw/zinc/69/12/03/627691203.db2.gz WCPFKWZMULLYRK-PMPSAXMXSA-N 2 2 319.493 3.146 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924891575 627691359 /nfs/dbraw/zinc/69/13/59/627691359.db2.gz XDTXOCDDRNGISG-VQTJNVASSA-N 2 2 324.472 3.021 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924891575 627691362 /nfs/dbraw/zinc/69/13/62/627691362.db2.gz XDTXOCDDRNGISG-VQTJNVASSA-N 2 2 324.472 3.021 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000924907673 627692653 /nfs/dbraw/zinc/69/26/53/627692653.db2.gz OPRUJUAVFCYYMR-HOTGVXAUSA-N 2 2 307.507 3.416 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cs1 ZINC000924907673 627692656 /nfs/dbraw/zinc/69/26/56/627692656.db2.gz OPRUJUAVFCYYMR-HOTGVXAUSA-N 2 2 307.507 3.416 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)[nH+]c1 ZINC000924927277 627694331 /nfs/dbraw/zinc/69/43/31/627694331.db2.gz OROSGSIGOHEJDY-AEFFLSMTSA-N 2 2 303.450 3.069 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1(Br)CC1 ZINC000924926693 627694379 /nfs/dbraw/zinc/69/43/79/627694379.db2.gz MJDJVHSIKKXLSZ-LBPRGKRZSA-N 2 2 312.255 3.179 20 0 DGADLP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000924928463 627695028 /nfs/dbraw/zinc/69/50/28/627695028.db2.gz WORKTLBJGIGOLN-CQSZACIVSA-N 2 2 300.406 3.237 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000925008678 627700498 /nfs/dbraw/zinc/70/04/98/627700498.db2.gz DOWOTTOQBBWINW-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccn2)c1 ZINC000925008678 627700500 /nfs/dbraw/zinc/70/05/00/627700500.db2.gz DOWOTTOQBBWINW-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)c1ccccc1 ZINC000925058061 627704923 /nfs/dbraw/zinc/70/49/23/627704923.db2.gz PYDFDYFCZADSFP-UIBIWLFHSA-N 2 2 304.478 3.376 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(C(C)(C)O)cc1 ZINC000925173304 627715556 /nfs/dbraw/zinc/71/55/56/627715556.db2.gz XSHWYQAWRYAZMI-GDBMZVCRSA-N 2 2 313.445 3.339 20 0 DGADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)CCC2 ZINC000925172229 627715817 /nfs/dbraw/zinc/71/58/17/627715817.db2.gz RUMQHDQBDIQWPA-BQFCYCMXSA-N 2 2 310.445 3.157 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177088 627715889 /nfs/dbraw/zinc/71/58/89/627715889.db2.gz NKUDDOCRBPIQGY-GHTZIAJQSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177088 627715893 /nfs/dbraw/zinc/71/58/93/627715893.db2.gz NKUDDOCRBPIQGY-GHTZIAJQSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000925512879 627745052 /nfs/dbraw/zinc/74/50/52/627745052.db2.gz CSHVKPDNLFQEBX-USXIJHARSA-N 3 2 312.461 3.429 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1OCCc2sccc21)c1ccccc1 ZINC000925522224 627747148 /nfs/dbraw/zinc/74/71/48/627747148.db2.gz GSEKSDPDMDTCTQ-NUTKFTJISA-N 2 2 302.443 3.040 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000925535664 627749406 /nfs/dbraw/zinc/74/94/06/627749406.db2.gz IMCJVHKQSJMXSJ-JXFKEZNVSA-N 2 2 320.440 3.093 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC(C)C ZINC000925537748 627749957 /nfs/dbraw/zinc/74/99/57/627749957.db2.gz MGFHEORVMWITGW-KBXCAEBGSA-N 2 2 318.461 3.418 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539150 627750222 /nfs/dbraw/zinc/75/02/22/627750222.db2.gz ZCFVSHIQTHHCLZ-ABSDTBQOSA-N 2 2 309.457 3.191 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925580042 627758072 /nfs/dbraw/zinc/75/80/72/627758072.db2.gz INVNMVGSNHPCDX-CYBMUJFWSA-N 2 2 309.866 3.222 20 0 DGADLP c1sc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1C1CC1 ZINC000925582455 627758604 /nfs/dbraw/zinc/75/86/04/627758604.db2.gz FJGZEIMPMDBXHB-CABCVRRESA-N 2 2 305.491 3.278 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587917 627759210 /nfs/dbraw/zinc/75/92/10/627759210.db2.gz LIOOJSRNPGGGNK-DLBZAZTESA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587917 627759211 /nfs/dbraw/zinc/75/92/11/627759211.db2.gz LIOOJSRNPGGGNK-DLBZAZTESA-N 2 2 318.509 3.238 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925640550 627767433 /nfs/dbraw/zinc/76/74/33/627767433.db2.gz SFEMJNRYZLWKFX-BEVDRBHNSA-N 2 2 310.441 3.117 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925650789 627770453 /nfs/dbraw/zinc/77/04/53/627770453.db2.gz YLCAQYXAGDHLRY-JEBQAFNWSA-N 2 2 314.429 3.308 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925702077 627778304 /nfs/dbraw/zinc/77/83/04/627778304.db2.gz KHQGLUUMKNFQNY-CVAIRZPRSA-N 2 2 309.457 3.482 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])OC)c1 ZINC000925720923 627781106 /nfs/dbraw/zinc/78/11/06/627781106.db2.gz KGEXUVZVBODGDK-MDASCCDHSA-N 2 2 314.429 3.061 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1 ZINC000925734061 627784659 /nfs/dbraw/zinc/78/46/59/627784659.db2.gz MIKQGNYXLHALFV-YPMHNXCESA-N 2 2 306.397 3.350 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1 ZINC000925734060 627784671 /nfs/dbraw/zinc/78/46/71/627784671.db2.gz MIKQGNYXLHALFV-WCQYABFASA-N 2 2 306.397 3.350 20 0 DGADLP CC1(C)Cc2occc2[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925749496 627786609 /nfs/dbraw/zinc/78/66/09/627786609.db2.gz BMRGGGLGCKUBOX-CYBMUJFWSA-N 2 2 317.458 3.267 20 0 DGADLP CC1(C)Cc2occc2[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000925749496 627786613 /nfs/dbraw/zinc/78/66/13/627786613.db2.gz BMRGGGLGCKUBOX-CYBMUJFWSA-N 2 2 317.458 3.267 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CCCC2 ZINC000925770878 627791847 /nfs/dbraw/zinc/79/18/47/627791847.db2.gz XHKSENMUAWYGDA-JQFCIGGWSA-N 2 2 318.461 3.201 20 0 DGADLP Cc1cc(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]c1C ZINC000925769718 627791867 /nfs/dbraw/zinc/79/18/67/627791867.db2.gz POSZTLUEDDDUTO-PKOBYXMFSA-N 2 2 309.413 3.366 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925773356 627793040 /nfs/dbraw/zinc/79/30/40/627793040.db2.gz XWIOBOTYNJUHGC-SQNIBIBYSA-N 3 2 312.461 3.120 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792642 627796089 /nfs/dbraw/zinc/79/60/89/627796089.db2.gz GQGFJOMJDQRDMN-ROUUACIJSA-N 2 2 316.489 3.421 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925794725 627796756 /nfs/dbraw/zinc/79/67/56/627796756.db2.gz IOVJRHATDKNFJV-QZTJIDSGSA-N 2 2 318.436 3.025 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)c1ccccc1 ZINC000925805066 627798075 /nfs/dbraw/zinc/79/80/75/627798075.db2.gz QATMLPUHINOJAS-OXQOHEQNSA-N 2 2 320.440 3.093 20 0 DGADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925814821 627798914 /nfs/dbraw/zinc/79/89/14/627798914.db2.gz QRWYYUYYJRXYHE-GOEBONIOSA-N 2 2 313.470 3.215 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819898 627799958 /nfs/dbraw/zinc/79/99/58/627799958.db2.gz ARPVSBUPZHZHAQ-VHBXLISGSA-N 3 2 315.505 3.462 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCS[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000925861228 627807909 /nfs/dbraw/zinc/80/79/09/627807909.db2.gz OIMJQUAZKBYTGG-WCZJQEMASA-N 2 2 320.502 3.362 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926164391 627853465 /nfs/dbraw/zinc/85/34/65/627853465.db2.gz LPHDPEWJKVZORP-RYUDHWBXSA-N 2 2 304.463 3.320 20 0 DGADLP C[NH+](C)CC1(C[NH2+][C@@H]2CCc3c2nccc3Cl)CCCC1 ZINC000926168233 627854036 /nfs/dbraw/zinc/85/40/36/627854036.db2.gz RWWGNSJJLOYDCB-OAHLLOKOSA-N 2 2 307.869 3.434 20 0 DGADLP C[C@H]1CC[C@H](C)C1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817276700 627875854 /nfs/dbraw/zinc/87/58/54/627875854.db2.gz MVECMWNYLIVXLJ-HOTGVXAUSA-N 2 2 302.462 3.043 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926451356 627898298 /nfs/dbraw/zinc/89/82/98/627898298.db2.gz YUIMMPCKVBTGCN-YLJYHZDGSA-N 2 2 318.424 3.350 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000817576739 627923471 /nfs/dbraw/zinc/92/34/71/627923471.db2.gz VWUYRGHPSDESAY-FUHWJXTLSA-N 2 2 312.461 3.230 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](CCO)c2ccccc2F)CC1 ZINC000926634148 627924391 /nfs/dbraw/zinc/92/43/91/627924391.db2.gz DPOUUTNLVBGRIS-LJQANCHMSA-N 2 2 322.468 3.349 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676090 627931202 /nfs/dbraw/zinc/93/12/02/627931202.db2.gz SXNBCBZNOFNCPV-PWIZWCRZSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000926676090 627931205 /nfs/dbraw/zinc/93/12/05/627931205.db2.gz SXNBCBZNOFNCPV-PWIZWCRZSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763019 627948618 /nfs/dbraw/zinc/94/86/18/627948618.db2.gz ROPDCOQJFPOACD-JXFKEZNVSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763019 627948619 /nfs/dbraw/zinc/94/86/19/627948619.db2.gz ROPDCOQJFPOACD-JXFKEZNVSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763021 627948850 /nfs/dbraw/zinc/94/88/50/627948850.db2.gz ROPDCOQJFPOACD-OXJNMPFZSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926763021 627948854 /nfs/dbraw/zinc/94/88/54/627948854.db2.gz ROPDCOQJFPOACD-OXJNMPFZSA-N 3 2 315.505 3.416 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000817919761 627961564 /nfs/dbraw/zinc/96/15/64/627961564.db2.gz VUUYWPAZHXTLJQ-UOJCWERNSA-N 2 2 317.260 3.145 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)ccc1SC(F)F ZINC000817951236 627972725 /nfs/dbraw/zinc/97/27/25/627972725.db2.gz CEXREYLNONTNNX-CMPLNLGQSA-N 2 2 316.417 3.413 20 0 DGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)C[C@H]2C1 ZINC000818329921 628013738 /nfs/dbraw/zinc/01/37/38/628013738.db2.gz ILDBVGPNBSFBNL-NNXHMXCWSA-N 2 2 305.466 3.091 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)cc3c2OCC3)CC1 ZINC000927139264 628024738 /nfs/dbraw/zinc/02/47/38/628024738.db2.gz KEJQKSXKZWTBCG-GFCCVEGCSA-N 2 2 308.853 3.410 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000819309088 628130506 /nfs/dbraw/zinc/13/05/06/628130506.db2.gz KPUMMOYFQHDPRV-PXNSSMCTSA-N 2 2 312.457 3.337 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000819309088 628130511 /nfs/dbraw/zinc/13/05/11/628130511.db2.gz KPUMMOYFQHDPRV-PXNSSMCTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477190 628664115 /nfs/dbraw/zinc/66/41/15/628664115.db2.gz IUNPXSOBKLNXFI-KGLIPLIRSA-N 2 2 319.836 3.430 20 0 DGADLP CCC[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824543372 628668904 /nfs/dbraw/zinc/66/89/04/628668904.db2.gz ITOLKZOTINLZPN-LJQANCHMSA-N 2 2 319.493 3.126 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000824558956 628671425 /nfs/dbraw/zinc/67/14/25/628671425.db2.gz ALSHQTPDWCFDJO-HXUWFJFHSA-N 2 2 324.468 3.290 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000824558956 628671427 /nfs/dbraw/zinc/67/14/27/628671427.db2.gz ALSHQTPDWCFDJO-HXUWFJFHSA-N 2 2 324.468 3.290 20 0 DGADLP CC[C@@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824744101 628688922 /nfs/dbraw/zinc/68/89/22/628688922.db2.gz ZXZDLVNHNQWSLO-IBGZPJMESA-N 2 2 319.493 3.126 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC000825250100 628742430 /nfs/dbraw/zinc/74/24/30/628742430.db2.gz UTVBPRIQDUUYID-JXFKEZNVSA-N 2 2 313.489 3.357 20 0 DGADLP Fc1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccnc1Cl ZINC000827951311 629007246 /nfs/dbraw/zinc/00/72/46/629007246.db2.gz XHZZKPYWEWINBR-CYBMUJFWSA-N 2 2 311.832 3.086 20 0 DGADLP Fc1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccnc1Cl ZINC000827951311 629007250 /nfs/dbraw/zinc/00/72/50/629007250.db2.gz XHZZKPYWEWINBR-CYBMUJFWSA-N 2 2 311.832 3.086 20 0 DGADLP Fc1ccccc1COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000841035761 630399852 /nfs/dbraw/zinc/39/98/52/630399852.db2.gz LMKJJEHHJMFLSL-KRWDZBQOSA-N 2 2 314.404 3.246 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1Cl ZINC000843050920 630608363 /nfs/dbraw/zinc/60/83/63/630608363.db2.gz BKZLWQGZTQSIQK-JSGCOSHPSA-N 2 2 312.889 3.204 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1Cl ZINC000843050920 630608366 /nfs/dbraw/zinc/60/83/66/630608366.db2.gz BKZLWQGZTQSIQK-JSGCOSHPSA-N 2 2 312.889 3.204 20 0 DGADLP CSc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)c(Cl)nc2c1 ZINC000843348639 630648186 /nfs/dbraw/zinc/64/81/86/630648186.db2.gz UVCPDNUBRRZOLO-NSHDSACASA-N 2 2 321.877 3.391 20 0 DGADLP CSc1ccc2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)c(Cl)nc2c1 ZINC000843348639 630648187 /nfs/dbraw/zinc/64/81/87/630648187.db2.gz UVCPDNUBRRZOLO-NSHDSACASA-N 2 2 321.877 3.391 20 0 DGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000843355257 630649382 /nfs/dbraw/zinc/64/93/82/630649382.db2.gz OIDULRPUABLKQQ-AWEZNQCLSA-N 2 2 313.445 3.084 20 0 DGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843355257 630649384 /nfs/dbraw/zinc/64/93/84/630649384.db2.gz OIDULRPUABLKQQ-AWEZNQCLSA-N 2 2 313.445 3.084 20 0 DGADLP Fc1ccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1F ZINC000843358264 630649446 /nfs/dbraw/zinc/64/94/46/630649446.db2.gz JWONNDNZGJANSJ-GOSISDBHSA-N 2 2 324.415 3.118 20 0 DGADLP Fc1ccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1F ZINC000843358264 630649449 /nfs/dbraw/zinc/64/94/49/630649449.db2.gz JWONNDNZGJANSJ-GOSISDBHSA-N 2 2 324.415 3.118 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000846804457 631310908 /nfs/dbraw/zinc/31/09/08/631310908.db2.gz KSPDKNKGVHGQEN-MDZRGWNJSA-N 2 2 313.445 3.203 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000846804457 631310915 /nfs/dbraw/zinc/31/09/15/631310915.db2.gz KSPDKNKGVHGQEN-MDZRGWNJSA-N 2 2 313.445 3.203 20 0 DGADLP CC(C)(C)NC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054652 631821444 /nfs/dbraw/zinc/82/14/44/631821444.db2.gz NYNZQQNQOHCOLI-HNNXBMFYSA-N 2 2 322.884 3.389 20 0 DGADLP CCc1ccc([C@H](CNC(=[NH2+])NC2CCCCC2)[NH+](C)C)cc1 ZINC000849057804 631822481 /nfs/dbraw/zinc/82/24/81/631822481.db2.gz QRPUKQQUQSQQRR-SFHVURJKSA-N 2 2 316.493 3.298 20 0 DGADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccccc1 ZINC000849080363 631830012 /nfs/dbraw/zinc/83/00/12/631830012.db2.gz JYYSZKRFWSDQOF-MRXNPFEDSA-N 2 2 318.371 3.204 20 0 DGADLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCC1)c1ccc(Cl)cc1 ZINC000849091541 631833002 /nfs/dbraw/zinc/83/30/02/631833002.db2.gz OHUIORVEMQMJAU-INIZCTEOSA-N 2 2 322.884 3.389 20 0 DGADLP CSc1ccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)cc1 ZINC000849112931 631839073 /nfs/dbraw/zinc/83/90/73/631839073.db2.gz JNVPQYLXYRWFQQ-MRXNPFEDSA-N 2 2 322.522 3.171 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000850173541 632072151 /nfs/dbraw/zinc/07/21/51/632072151.db2.gz LNZYPHOSGYNBKI-OLZOCXBDSA-N 2 2 316.367 3.390 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@]3(C)CC3(C)C)CC2)cc1 ZINC000850400070 632139659 /nfs/dbraw/zinc/13/96/59/632139659.db2.gz YNFHRMQTRVXIRQ-LJQANCHMSA-N 2 2 301.478 3.500 20 0 DGADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000850426597 632149200 /nfs/dbraw/zinc/14/92/00/632149200.db2.gz WSFJNYVCFUIJOP-LSDHHAIUSA-N 2 2 323.481 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000850439135 632153727 /nfs/dbraw/zinc/15/37/27/632153727.db2.gz GGROWYCQIWSMSQ-KDOFPFPSSA-N 2 2 320.502 3.100 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000850533089 632183239 /nfs/dbraw/zinc/18/32/39/632183239.db2.gz ZCQAPBLFGDFIMJ-NUJGCVRESA-N 2 2 313.445 3.109 20 0 DGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850554598 632191121 /nfs/dbraw/zinc/19/11/21/632191121.db2.gz DSLWEGBYHJRKOV-PBHICJAKSA-N 2 2 306.425 3.038 20 0 DGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850554603 632191278 /nfs/dbraw/zinc/19/12/78/632191278.db2.gz DSLWEGBYHJRKOV-YOEHRIQHSA-N 2 2 306.425 3.038 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851865408 632511135 /nfs/dbraw/zinc/51/11/35/632511135.db2.gz DAYGONVZPBDWEI-KRWDZBQOSA-N 2 2 320.477 3.028 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000851865408 632511140 /nfs/dbraw/zinc/51/11/40/632511140.db2.gz DAYGONVZPBDWEI-KRWDZBQOSA-N 2 2 320.477 3.028 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000851901636 632518491 /nfs/dbraw/zinc/51/84/91/632518491.db2.gz DCFIAUFIPYYAGK-STQMWFEESA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000851901636 632518494 /nfs/dbraw/zinc/51/84/94/632518494.db2.gz DCFIAUFIPYYAGK-STQMWFEESA-N 2 2 318.383 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000997235420 660315912 /nfs/dbraw/zinc/31/59/12/660315912.db2.gz VFAIPPDXFRXUAU-OAHLLOKOSA-N 2 2 317.477 3.246 20 0 DGADLP CCCC[NH+]1CCC(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001001664651 660455690 /nfs/dbraw/zinc/45/56/90/660455690.db2.gz ZFABMVZDTHCIFQ-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355455 660720536 /nfs/dbraw/zinc/72/05/36/660720536.db2.gz BPMIXRUXWURQNP-NVXWUHKLSA-N 2 2 322.880 3.027 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355455 660720537 /nfs/dbraw/zinc/72/05/37/660720537.db2.gz BPMIXRUXWURQNP-NVXWUHKLSA-N 2 2 322.880 3.027 20 0 DGADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000703877102 660794594 /nfs/dbraw/zinc/79/45/94/660794594.db2.gz CUDGVOWHQAIEBA-MRXNPFEDSA-N 2 2 315.848 3.347 20 0 DGADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000703877102 660794595 /nfs/dbraw/zinc/79/45/95/660794595.db2.gz CUDGVOWHQAIEBA-MRXNPFEDSA-N 2 2 315.848 3.347 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001036429341 660904724 /nfs/dbraw/zinc/90/47/24/660904724.db2.gz ZRUNFIVCFCKVMS-DOTOQJQBSA-N 2 2 317.477 3.246 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000793290060 661021511 /nfs/dbraw/zinc/02/15/11/661021511.db2.gz RDQQNXOFZQZNEH-RHSMWYFYSA-N 2 2 305.441 3.353 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)n(C)n1 ZINC000793535021 661042802 /nfs/dbraw/zinc/04/28/02/661042802.db2.gz OJONETLGDSQAGX-NVXWUHKLSA-N 2 2 323.444 3.097 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000261924927 655699175 /nfs/dbraw/zinc/69/91/75/655699175.db2.gz ILAYCWZLPBKBCD-AWEZNQCLSA-N 2 2 320.824 3.093 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000261924927 655699176 /nfs/dbraw/zinc/69/91/76/655699176.db2.gz ILAYCWZLPBKBCD-AWEZNQCLSA-N 2 2 320.824 3.093 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH+]3CCCCCCC3)CC2)cc1 ZINC000795850150 661175727 /nfs/dbraw/zinc/17/57/27/661175727.db2.gz HCNATQYCLHLQQW-UHFFFAOYSA-N 2 2 315.505 3.465 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262312617 655813348 /nfs/dbraw/zinc/81/33/48/655813348.db2.gz PYSBJGMCBQIDDI-LALPHHSUSA-N 2 2 316.367 3.123 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(Br)cc1 ZINC000328572973 656060525 /nfs/dbraw/zinc/06/05/25/656060525.db2.gz VGQVNIAHKTWNAO-FPWZVUCASA-N 2 2 321.262 3.096 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC000981234048 656655352 /nfs/dbraw/zinc/65/53/52/656655352.db2.gz BISHEDGHMSXHEZ-SJORKVTESA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC000981234046 656655519 /nfs/dbraw/zinc/65/55/19/656655519.db2.gz BISHEDGHMSXHEZ-IAGOWNOFSA-N 2 2 317.477 3.293 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261600474 656924001 /nfs/dbraw/zinc/92/40/01/656924001.db2.gz XIEQNLRXHDBDFD-DAXOMENPSA-N 2 2 308.853 3.359 20 0 DGADLP COc1ccc(F)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319874741 657270035 /nfs/dbraw/zinc/27/00/35/657270035.db2.gz IHOHXFIVJNCERB-MRXNPFEDSA-N 2 2 305.397 3.235 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000252538486 657587399 /nfs/dbraw/zinc/58/73/99/657587399.db2.gz APDKTKBJBZOTRP-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000252538486 657587403 /nfs/dbraw/zinc/58/74/03/657587403.db2.gz APDKTKBJBZOTRP-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305718919 657928619 /nfs/dbraw/zinc/92/86/19/657928619.db2.gz HUNFUCCOTDFSPQ-RHSMWYFYSA-N 2 2 311.385 3.067 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000168695756 659149461 /nfs/dbraw/zinc/14/94/61/659149461.db2.gz XYCHCFSAZQOCIM-SFHVURJKSA-N 2 2 319.518 3.207 20 0 DGADLP COc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1OC(C)C ZINC000062254716 659312450 /nfs/dbraw/zinc/31/24/50/659312450.db2.gz ODQFCSUJOSTYAQ-HNNXBMFYSA-N 2 2 317.433 3.105 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778335 659577413 /nfs/dbraw/zinc/57/74/13/659577413.db2.gz GZQFVBASNJZMCB-ZNMIVQPWSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778335 659577416 /nfs/dbraw/zinc/57/74/16/659577416.db2.gz GZQFVBASNJZMCB-ZNMIVQPWSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778335 659577419 /nfs/dbraw/zinc/57/74/19/659577419.db2.gz GZQFVBASNJZMCB-ZNMIVQPWSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778335 659577420 /nfs/dbraw/zinc/57/74/20/659577420.db2.gz GZQFVBASNJZMCB-ZNMIVQPWSA-N 2 2 322.415 3.150 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000929703932 661330127 /nfs/dbraw/zinc/33/01/27/661330127.db2.gz OWWFLMCRGZJFIG-OAHLLOKOSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000929703932 661330130 /nfs/dbraw/zinc/33/01/30/661330130.db2.gz OWWFLMCRGZJFIG-OAHLLOKOSA-N 2 2 312.461 3.123 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991635 661356211 /nfs/dbraw/zinc/35/62/11/661356211.db2.gz INKGMBNLBRDTBF-AGIUHOORSA-N 2 2 317.355 3.089 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991635 661356213 /nfs/dbraw/zinc/35/62/13/661356213.db2.gz INKGMBNLBRDTBF-AGIUHOORSA-N 2 2 317.355 3.089 20 0 DGADLP Cc1nc(C[N@H+](C)CCCn2cc[nH+]c2)sc1C(C)(C)C ZINC000930124980 661368630 /nfs/dbraw/zinc/36/86/30/661368630.db2.gz LWGQNUPHQCFJIF-UHFFFAOYSA-N 2 2 306.479 3.468 20 0 DGADLP Cc1nc(C[N@@H+](C)CCCn2cc[nH+]c2)sc1C(C)(C)C ZINC000930124980 661368633 /nfs/dbraw/zinc/36/86/33/661368633.db2.gz LWGQNUPHQCFJIF-UHFFFAOYSA-N 2 2 306.479 3.468 20 0 DGADLP Cc1cccc([C@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000930614733 661415841 /nfs/dbraw/zinc/41/58/41/661415841.db2.gz GTFQVHDHXFHWLV-OAQYLSRUSA-N 2 2 324.468 3.283 20 0 DGADLP CCCC[N@H+](CCn1cc[nH+]c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034841 661447481 /nfs/dbraw/zinc/44/74/81/661447481.db2.gz ZFEHCBWLPRAQOK-UHFFFAOYSA-N 3 2 306.498 3.294 20 0 DGADLP CCCC[N@@H+](CCn1cc[nH+]c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034841 661447482 /nfs/dbraw/zinc/44/74/82/661447482.db2.gz ZFEHCBWLPRAQOK-UHFFFAOYSA-N 3 2 306.498 3.294 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@]2(C)C1 ZINC000931316794 661466129 /nfs/dbraw/zinc/46/61/29/661466129.db2.gz KMVMEPSWBSBCKJ-OALUTQOASA-N 2 2 311.429 3.115 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459906 661478698 /nfs/dbraw/zinc/47/86/98/661478698.db2.gz CAXLHAWPFRHVMT-AWEZNQCLSA-N 2 2 307.401 3.023 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459906 661478700 /nfs/dbraw/zinc/47/87/00/661478700.db2.gz CAXLHAWPFRHVMT-AWEZNQCLSA-N 2 2 307.401 3.023 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459908 661478994 /nfs/dbraw/zinc/47/89/94/661478994.db2.gz CAXLHAWPFRHVMT-CQSZACIVSA-N 2 2 307.401 3.023 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459908 661478997 /nfs/dbraw/zinc/47/89/97/661478997.db2.gz CAXLHAWPFRHVMT-CQSZACIVSA-N 2 2 307.401 3.023 20 0 DGADLP C[C@H](CC[N@@H+]1CCc2[nH+]ccc(N)c2C1)OCc1ccccc1 ZINC000931520358 661484445 /nfs/dbraw/zinc/48/44/45/661484445.db2.gz YVCMVVARXAZWML-OAHLLOKOSA-N 2 2 311.429 3.017 20 0 DGADLP C[C@H](CC[N@H+]1CCc2[nH+]ccc(N)c2C1)OCc1ccccc1 ZINC000931520358 661484447 /nfs/dbraw/zinc/48/44/47/661484447.db2.gz YVCMVVARXAZWML-OAHLLOKOSA-N 2 2 311.429 3.017 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620534 661493907 /nfs/dbraw/zinc/49/39/07/661493907.db2.gz GTXDFCQNIKSDSV-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620534 661493909 /nfs/dbraw/zinc/49/39/09/661493909.db2.gz GTXDFCQNIKSDSV-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620534 661493911 /nfs/dbraw/zinc/49/39/11/661493911.db2.gz GTXDFCQNIKSDSV-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC2(CCCCCC2)O1 ZINC000931620534 661493912 /nfs/dbraw/zinc/49/39/12/661493912.db2.gz GTXDFCQNIKSDSV-FGTMMUONSA-N 2 2 306.494 3.427 20 0 DGADLP COC[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000931707748 661500439 /nfs/dbraw/zinc/50/04/39/661500439.db2.gz SKOCQEXJGHDUTG-ROUUACIJSA-N 2 2 301.434 3.133 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719691 661501906 /nfs/dbraw/zinc/50/19/06/661501906.db2.gz LUVBLIBJKFCPTM-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719691 661501908 /nfs/dbraw/zinc/50/19/08/661501908.db2.gz LUVBLIBJKFCPTM-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719691 661501910 /nfs/dbraw/zinc/50/19/10/661501910.db2.gz LUVBLIBJKFCPTM-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000931719691 661501912 /nfs/dbraw/zinc/50/19/12/661501912.db2.gz LUVBLIBJKFCPTM-MANSERQUSA-N 2 2 300.446 3.075 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c[nH+]1 ZINC000932190409 661546735 /nfs/dbraw/zinc/54/67/35/661546735.db2.gz BUUQNEAQIDLDRR-AWEZNQCLSA-N 2 2 316.474 3.098 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c[nH+]1 ZINC000932190409 661546738 /nfs/dbraw/zinc/54/67/38/661546738.db2.gz BUUQNEAQIDLDRR-AWEZNQCLSA-N 2 2 316.474 3.098 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)C[C@]2(C)C1 ZINC000933741563 661655235 /nfs/dbraw/zinc/65/52/35/661655235.db2.gz WZIDTIQXTKJEFJ-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)C[C@]2(C)C1 ZINC000933741563 661655237 /nfs/dbraw/zinc/65/52/37/661655237.db2.gz WZIDTIQXTKJEFJ-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)C[C@]2(C)C1 ZINC000933741563 661655239 /nfs/dbraw/zinc/65/52/39/661655239.db2.gz WZIDTIQXTKJEFJ-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)C[C@]2(C)C1 ZINC000933741563 661655240 /nfs/dbraw/zinc/65/52/40/661655240.db2.gz WZIDTIQXTKJEFJ-XLIONFOSSA-N 2 2 323.440 3.257 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)C[C@]2(C)C1 ZINC000933745157 661655433 /nfs/dbraw/zinc/65/54/33/661655433.db2.gz LOTIFAHIDIBWTQ-QAPCUYQASA-N 2 2 313.470 3.194 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)C[C@]2(C)C1 ZINC000933745157 661655435 /nfs/dbraw/zinc/65/54/35/661655435.db2.gz LOTIFAHIDIBWTQ-QAPCUYQASA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@]2(C)C1 ZINC000933745157 661655437 /nfs/dbraw/zinc/65/54/37/661655437.db2.gz LOTIFAHIDIBWTQ-QAPCUYQASA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@]2(C)C1 ZINC000933745157 661655438 /nfs/dbraw/zinc/65/54/38/661655438.db2.gz LOTIFAHIDIBWTQ-QAPCUYQASA-N 2 2 313.470 3.194 20 0 DGADLP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597306 1191851825 /nfs/dbraw/zinc/85/18/25/1191851825.db2.gz FIGKWJHJAZAVSE-ZACQAIPSSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC[NH2+]1 ZINC001576597306 1191851832 /nfs/dbraw/zinc/85/18/32/1191851832.db2.gz FIGKWJHJAZAVSE-ZACQAIPSSA-N 3 2 318.509 3.206 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(Br)cc2)C[NH2+]1 ZINC001576669917 1191861408 /nfs/dbraw/zinc/86/14/08/1191861408.db2.gz CFSASKPFTYJWQF-IZIWTHDTSA-N 2 2 309.251 3.192 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001578275188 1191935832 /nfs/dbraw/zinc/93/58/32/1191935832.db2.gz COWAPGBRIDNHDT-AUUYWEPGSA-N 2 2 310.441 3.362 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1Cl)CC1(C[NH3+])CC1 ZINC001578486392 1191946759 /nfs/dbraw/zinc/94/67/59/1191946759.db2.gz USPILVZGSJUCAK-UHFFFAOYSA-N 2 2 317.658 3.273 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1Cl)CC1(C[NH3+])CC1 ZINC001578486392 1191946760 /nfs/dbraw/zinc/94/67/60/1191946760.db2.gz USPILVZGSJUCAK-UHFFFAOYSA-N 2 2 317.658 3.273 20 0 DGADLP CO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3[NH2+]CC3(C)C)CC2)cs1 ZINC001578905009 1191960974 /nfs/dbraw/zinc/96/09/74/1191960974.db2.gz QLWRKFMIYQPNCJ-SWLSCSKDSA-N 2 2 323.506 3.061 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CCCC2 ZINC001579178752 1191968401 /nfs/dbraw/zinc/96/84/01/1191968401.db2.gz CIVKKGVZSPGVJC-YSVLISHTSA-N 2 2 318.461 3.201 20 0 DGADLP COc1ccc(C2CCC([NH2+][C@@H](CC[NH3+])C(F)F)CC2)cc1 ZINC001579201976 1191968845 /nfs/dbraw/zinc/96/88/45/1191968845.db2.gz GNXWNAZNATVWSE-PXCJXSSVSA-N 2 2 312.404 3.294 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[NH2+]C1)c1ccc(Cl)c(Cl)c1Cl ZINC001579414747 1191975936 /nfs/dbraw/zinc/97/59/36/1191975936.db2.gz MTEYJZWYHFJSGO-AMIZOPFISA-N 2 2 323.651 3.022 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(O)CC[NH2+]C1)c1ccc(Cl)c(Cl)c1Cl ZINC001579414749 1191976484 /nfs/dbraw/zinc/97/64/84/1191976484.db2.gz MTEYJZWYHFJSGO-OQPBUACISA-N 2 2 323.651 3.022 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)CC(F)(F)F ZINC001580132439 1192009497 /nfs/dbraw/zinc/00/94/97/1192009497.db2.gz PAEPAPRTWGHJQR-ZCFIWIBFSA-N 2 2 306.275 3.136 20 0 DGADLP [NH3+]C1(CCNc2ccc(Nc3ccccc3)c[nH+]2)CCOCC1 ZINC001580145317 1192009944 /nfs/dbraw/zinc/00/99/44/1192009944.db2.gz ZZASTVWZXCHERF-UHFFFAOYSA-N 2 2 312.417 3.135 20 0 DGADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253528 1192016045 /nfs/dbraw/zinc/01/60/45/1192016045.db2.gz OIBQMIIFXSQUDW-APWZRJJASA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253528 1192016047 /nfs/dbraw/zinc/01/60/47/1192016047.db2.gz OIBQMIIFXSQUDW-APWZRJJASA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+]C[C@]12C[N@H+](Cc3cncc(C(F)(F)F)c3)C[C@@H]1CCCC2 ZINC001580254267 1192016348 /nfs/dbraw/zinc/01/63/48/1192016348.db2.gz CJCDLSYWVMSGDO-DZGCQCFKSA-N 2 2 313.367 3.051 20 0 DGADLP [NH3+]C[C@]12C[N@@H+](Cc3cncc(C(F)(F)F)c3)C[C@@H]1CCCC2 ZINC001580254267 1192016351 /nfs/dbraw/zinc/01/63/51/1192016351.db2.gz CJCDLSYWVMSGDO-DZGCQCFKSA-N 2 2 313.367 3.051 20 0 DGADLP Clc1cc2c(c(C[NH2+]CCCNc3cccc[nH+]3)c1)OCC2 ZINC001620826623 1192231002 /nfs/dbraw/zinc/23/10/02/1192231002.db2.gz OOGDZGFFPSPHOO-UHFFFAOYSA-N 2 2 317.820 3.262 20 0 DGADLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC001620828277 1192255765 /nfs/dbraw/zinc/25/57/65/1192255765.db2.gz NMFJLORCIBJOLD-UHFFFAOYSA-N 2 2 318.461 3.200 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2ncccc2C(F)(F)F)CCCC1 ZINC001620895772 1192560861 /nfs/dbraw/zinc/56/08/61/1192560861.db2.gz OBEGNGMFKLAASU-UHFFFAOYSA-N 2 2 315.383 3.312 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCC(C)C)CC2)cc1 ZINC000449525664 1176017013 /nfs/dbraw/zinc/01/70/13/1176017013.db2.gz SRGNWQAUMLPENJ-UHFFFAOYSA-N 2 2 317.477 3.245 20 0 DGADLP Cc1sc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000227908928 1176576753 /nfs/dbraw/zinc/57/67/53/1176576753.db2.gz WYPOMRFICLWUOB-ONGXEEELSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1sc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC000227908928 1176576756 /nfs/dbraw/zinc/57/67/56/1176576756.db2.gz WYPOMRFICLWUOB-ONGXEEELSA-N 2 2 317.296 3.378 20 0 DGADLP C[N@H+](Cc1cc(Br)cs1)[C@H]1CCCC[C@H]1[NH3+] ZINC000250243602 1176587023 /nfs/dbraw/zinc/58/70/23/1176587023.db2.gz RZJNBNVDWADQRK-NEPJUHHUSA-N 2 2 303.269 3.212 20 0 DGADLP C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCCC[C@H]1[NH3+] ZINC000250243602 1176587030 /nfs/dbraw/zinc/58/70/30/1176587030.db2.gz RZJNBNVDWADQRK-NEPJUHHUSA-N 2 2 303.269 3.212 20 0 DGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000378873705 1176743335 /nfs/dbraw/zinc/74/33/35/1176743335.db2.gz UZRSTLFDYRCHCW-QGZVFWFLSA-N 2 2 317.433 3.105 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000395222472 1176786781 /nfs/dbraw/zinc/78/67/81/1176786781.db2.gz CEXSMEUGUQCUDF-UHFFFAOYSA-N 2 2 301.478 3.351 20 0 DGADLP CCc1cc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000669 1177014991 /nfs/dbraw/zinc/01/49/91/1177014991.db2.gz VVBICLCLMIVKMK-KDOFPFPSSA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000669 1177015001 /nfs/dbraw/zinc/01/50/01/1177015001.db2.gz VVBICLCLMIVKMK-KDOFPFPSSA-N 2 2 310.445 3.422 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000229067943 1177629932 /nfs/dbraw/zinc/62/99/32/1177629932.db2.gz XRTJJKQRJFCRJS-RISCZKNCSA-N 2 2 311.267 3.174 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC001276145101 1177942977 /nfs/dbraw/zinc/94/29/77/1177942977.db2.gz UDEATMWJINEZDH-QGZVFWFLSA-N 2 2 318.509 3.144 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC001276145101 1177942989 /nfs/dbraw/zinc/94/29/89/1177942989.db2.gz UDEATMWJINEZDH-QGZVFWFLSA-N 2 2 318.509 3.144 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[NH2+]C(C)(C)C)c2)[nH+]c1C ZINC001251547254 1178079031 /nfs/dbraw/zinc/07/90/31/1178079031.db2.gz HKMNHTHCCKKSQW-UHFFFAOYSA-N 2 2 300.406 3.020 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)[nH+]c1C ZINC001330971569 1178102139 /nfs/dbraw/zinc/10/21/39/1178102139.db2.gz UWEAMQIKPHYUCJ-INIZCTEOSA-N 2 2 324.428 3.022 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001330981573 1178104779 /nfs/dbraw/zinc/10/47/79/1178104779.db2.gz IOVMPJDWEWRVFI-HOTGVXAUSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@H](C)CC[NH2+]3)cc2)[nH+]c1C ZINC001330983162 1178104884 /nfs/dbraw/zinc/10/48/84/1178104884.db2.gz NPYXBPHUFRSVKO-BDJLRTHQSA-N 2 2 312.417 3.020 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109374 1178137014 /nfs/dbraw/zinc/13/70/14/1178137014.db2.gz KYNAMHQDJOYOMB-HOTGVXAUSA-N 2 2 319.493 3.268 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001331109374 1178137020 /nfs/dbraw/zinc/13/70/20/1178137020.db2.gz KYNAMHQDJOYOMB-HOTGVXAUSA-N 2 2 319.493 3.268 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)[nH+]c1C ZINC001331419756 1178209170 /nfs/dbraw/zinc/20/91/70/1178209170.db2.gz PJQNVMXOFUTBKL-HNNXBMFYSA-N 2 2 312.417 3.164 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001332674805 1178470217 /nfs/dbraw/zinc/47/02/17/1178470217.db2.gz QQYBEEIGNUSJOJ-VQIMIIECSA-N 2 2 317.477 3.198 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCc2cccnc2)CC1 ZINC001333037288 1178543413 /nfs/dbraw/zinc/54/34/13/1178543413.db2.gz MVORCOUSRUZQOH-UHFFFAOYSA-N 2 2 311.429 3.261 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)[nH+]c1C ZINC001333731917 1178663119 /nfs/dbraw/zinc/66/31/19/1178663119.db2.gz GCFJNWVLEVOGDO-SFHVURJKSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1nnsc1[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001334045324 1178712192 /nfs/dbraw/zinc/71/21/92/1178712192.db2.gz XQPLPHQGGGFWFJ-AWEZNQCLSA-N 2 2 319.478 3.296 20 0 DGADLP C[C@H](Nc1nccn2c[nH+]cc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001334982014 1178837231 /nfs/dbraw/zinc/83/72/31/1178837231.db2.gz JUHIFTYKRLMAMP-DOTOQJQBSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@H](Nc1nccn2c[nH+]cc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001334982014 1178837238 /nfs/dbraw/zinc/83/72/38/1178837238.db2.gz JUHIFTYKRLMAMP-DOTOQJQBSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@@H](Nc1nccn2c[nH+]cc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001334982017 1178837669 /nfs/dbraw/zinc/83/76/69/1178837669.db2.gz JUHIFTYKRLMAMP-WBVHZDCISA-N 2 2 321.428 3.052 20 0 DGADLP C[C@@H](Nc1nccn2c[nH+]cc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001334982017 1178837677 /nfs/dbraw/zinc/83/76/77/1178837677.db2.gz JUHIFTYKRLMAMP-WBVHZDCISA-N 2 2 321.428 3.052 20 0 DGADLP CNc1cc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nc[nH+]1 ZINC001335431997 1178909931 /nfs/dbraw/zinc/90/99/31/1178909931.db2.gz FYWQIHZKPUVCSX-CQSZACIVSA-N 2 2 311.433 3.156 20 0 DGADLP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001342323965 1179130182 /nfs/dbraw/zinc/13/01/82/1179130182.db2.gz DWDAJPXZSMDMKV-HSALFYBXSA-N 2 2 315.505 3.113 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2cc(C)[nH]n2)CC1)CC(C)C ZINC001343353094 1179260512 /nfs/dbraw/zinc/26/05/12/1179260512.db2.gz INQNNWBXSKYQBE-UHFFFAOYSA-N 2 2 306.498 3.298 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2cc(C)[nH]n2)CC1)CC(C)C ZINC001343353094 1179260516 /nfs/dbraw/zinc/26/05/16/1179260516.db2.gz INQNNWBXSKYQBE-UHFFFAOYSA-N 2 2 306.498 3.298 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC001345077447 1179522602 /nfs/dbraw/zinc/52/26/02/1179522602.db2.gz QNMRVUPSHYXNPY-QAPCUYQASA-N 2 2 314.429 3.288 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001350327488 1180053825 /nfs/dbraw/zinc/05/38/25/1180053825.db2.gz KSCJBHUHVMTKDR-SFHVURJKSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001350327488 1180053830 /nfs/dbraw/zinc/05/38/30/1180053830.db2.gz KSCJBHUHVMTKDR-SFHVURJKSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)sn1 ZINC001352838661 1180408556 /nfs/dbraw/zinc/40/85/56/1180408556.db2.gz FLMJUUCLHJHHRY-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)sn1 ZINC001352838661 1180408558 /nfs/dbraw/zinc/40/85/58/1180408558.db2.gz FLMJUUCLHJHHRY-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)Nc1ccccc1 ZINC001353313685 1180526001 /nfs/dbraw/zinc/52/60/01/1180526001.db2.gz XKPTWCQQDGJKHP-KRWDZBQOSA-N 2 2 315.461 3.012 20 0 DGADLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)Nc1ccccc1 ZINC001353313685 1180526003 /nfs/dbraw/zinc/52/60/03/1180526003.db2.gz XKPTWCQQDGJKHP-KRWDZBQOSA-N 2 2 315.461 3.012 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cnn1C ZINC001353899926 1180678709 /nfs/dbraw/zinc/67/87/09/1180678709.db2.gz RUNLYWVRKJQHEG-UONOGXRCSA-N 2 2 309.417 3.326 20 0 DGADLP Cc1[nH]c(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(C)[nH+]1 ZINC001354585698 1180844227 /nfs/dbraw/zinc/84/42/27/1180844227.db2.gz WYFCAMLHVVIPSJ-IBGZPJMESA-N 2 2 312.461 3.343 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001364774657 1181683100 /nfs/dbraw/zinc/68/31/00/1181683100.db2.gz APOFPPKNXXETLM-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(Br)cc1F ZINC001579601224 1181827840 /nfs/dbraw/zinc/82/78/40/1181827840.db2.gz KZZKHTKICOLNDR-PWSUYJOCSA-N 2 2 315.230 3.127 20 0 DGADLP Cc1cc(N(C)CCCC[NH+]2CCCCC2)nc(C2CC2)[nH+]1 ZINC001458554988 1182539206 /nfs/dbraw/zinc/53/92/06/1182539206.db2.gz ROBWDBWZNKXBCQ-UHFFFAOYSA-N 2 2 302.466 3.365 20 0 DGADLP Cc1cc(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)nc(C)[nH+]1 ZINC001458559739 1182540329 /nfs/dbraw/zinc/54/03/29/1182540329.db2.gz WZDVKFNUCSAKQJ-SFHVURJKSA-N 2 2 323.444 3.121 20 0 DGADLP Cc1cc(Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)nc(C)[nH+]1 ZINC001458559739 1182540335 /nfs/dbraw/zinc/54/03/35/1182540335.db2.gz WZDVKFNUCSAKQJ-SFHVURJKSA-N 2 2 323.444 3.121 20 0 DGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001460318451 1182677387 /nfs/dbraw/zinc/67/73/87/1182677387.db2.gz YRLNMDRHZAJXPD-OXQOHEQNSA-N 2 2 318.505 3.434 20 0 DGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001460318451 1182677389 /nfs/dbraw/zinc/67/73/89/1182677389.db2.gz YRLNMDRHZAJXPD-OXQOHEQNSA-N 2 2 318.505 3.434 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001460701215 1182711341 /nfs/dbraw/zinc/71/13/41/1182711341.db2.gz AEXPFGLVRQPORC-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(F)cccc2F)CCN1c1cc[nH+]cc1 ZINC001460701215 1182711347 /nfs/dbraw/zinc/71/13/47/1182711347.db2.gz AEXPFGLVRQPORC-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001460776279 1182721122 /nfs/dbraw/zinc/72/11/22/1182721122.db2.gz VLWQLAJMODQHEH-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001460776279 1182721126 /nfs/dbraw/zinc/72/11/26/1182721126.db2.gz VLWQLAJMODQHEH-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001460776279 1182721131 /nfs/dbraw/zinc/72/11/31/1182721131.db2.gz VLWQLAJMODQHEH-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001460776279 1182721135 /nfs/dbraw/zinc/72/11/35/1182721135.db2.gz VLWQLAJMODQHEH-JKSUJKDBSA-N 2 2 322.493 3.057 20 0 DGADLP Clc1ccccc1CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460777736 1182721596 /nfs/dbraw/zinc/72/15/96/1182721596.db2.gz PMXJTLHQLWUDMG-UHFFFAOYSA-N 2 2 322.880 3.116 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(-c2cccs2)n1 ZINC001461117836 1182770776 /nfs/dbraw/zinc/77/07/76/1182770776.db2.gz AYOFZWPTHQTEJK-UHFFFAOYSA-N 2 2 304.444 3.166 20 0 DGADLP CC[C@H]1C[C@@H](C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001461299228 1182793508 /nfs/dbraw/zinc/79/35/08/1182793508.db2.gz NZVOFNPIAOAEBE-LPHOPBHVSA-N 2 2 317.477 3.056 20 0 DGADLP Cc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC001461354636 1182798287 /nfs/dbraw/zinc/79/82/87/1182798287.db2.gz KNXZDPQQMYIEMD-IBGZPJMESA-N 2 2 324.472 3.451 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)C[NH+](C)C ZINC001461741771 1182847570 /nfs/dbraw/zinc/84/75/70/1182847570.db2.gz HWPYSBWKHDFTOP-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001461811486 1182858910 /nfs/dbraw/zinc/85/89/10/1182858910.db2.gz NUKPRNOAODVBRF-MSOLQXFVSA-N 2 2 308.510 3.293 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC001461811486 1182858917 /nfs/dbraw/zinc/85/89/17/1182858917.db2.gz NUKPRNOAODVBRF-MSOLQXFVSA-N 2 2 308.510 3.293 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)n1C ZINC001461826026 1182863282 /nfs/dbraw/zinc/86/32/82/1182863282.db2.gz CSTLOPCOQURYTG-GOSISDBHSA-N 2 2 320.440 3.240 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)(C)Oc1ccccc1 ZINC001461877886 1182868574 /nfs/dbraw/zinc/86/85/74/1182868574.db2.gz VKEFHMKGQLNXDS-SJORKVTESA-N 2 2 302.462 3.403 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)(C)Oc1ccccc1 ZINC001461877886 1182868579 /nfs/dbraw/zinc/86/85/79/1182868579.db2.gz VKEFHMKGQLNXDS-SJORKVTESA-N 2 2 302.462 3.403 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)Oc1ccccc1 ZINC001461877886 1182868588 /nfs/dbraw/zinc/86/85/88/1182868588.db2.gz VKEFHMKGQLNXDS-SJORKVTESA-N 2 2 302.462 3.403 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)Oc1ccccc1 ZINC001461877886 1182868594 /nfs/dbraw/zinc/86/85/94/1182868594.db2.gz VKEFHMKGQLNXDS-SJORKVTESA-N 2 2 302.462 3.403 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001462056684 1182902189 /nfs/dbraw/zinc/90/21/89/1182902189.db2.gz VCTCSUXBEWAZPW-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001462056684 1182902196 /nfs/dbraw/zinc/90/21/96/1182902196.db2.gz VCTCSUXBEWAZPW-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CCC(C)(C)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462175880 1182919483 /nfs/dbraw/zinc/91/94/83/1182919483.db2.gz DZKXKAHGDWLMBI-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CCC(C)(C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001462175880 1182919491 /nfs/dbraw/zinc/91/94/91/1182919491.db2.gz DZKXKAHGDWLMBI-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP COc1ccc(SCC[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC001462359483 1182942189 /nfs/dbraw/zinc/94/21/89/1182942189.db2.gz WOXHOTSAKJCVDI-UHFFFAOYSA-N 2 2 308.491 3.251 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001462497731 1182961125 /nfs/dbraw/zinc/96/11/25/1182961125.db2.gz VDMQKIMRZKPMLK-HNNXBMFYSA-N 2 2 303.425 3.232 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)C1 ZINC001462497731 1182961127 /nfs/dbraw/zinc/96/11/27/1182961127.db2.gz VDMQKIMRZKPMLK-HNNXBMFYSA-N 2 2 303.425 3.232 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c[nH+]1 ZINC001473232504 1183734002 /nfs/dbraw/zinc/73/40/02/1183734002.db2.gz JWPBNLWSPGVTBI-HNNXBMFYSA-N 2 2 309.417 3.029 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c[nH+]1 ZINC001473232504 1183734003 /nfs/dbraw/zinc/73/40/03/1183734003.db2.gz JWPBNLWSPGVTBI-HNNXBMFYSA-N 2 2 309.417 3.029 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725598 1183794460 /nfs/dbraw/zinc/79/44/60/1183794460.db2.gz RORRWOZVGUMTCI-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725598 1183794462 /nfs/dbraw/zinc/79/44/62/1183794462.db2.gz RORRWOZVGUMTCI-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725598 1183794463 /nfs/dbraw/zinc/79/44/63/1183794463.db2.gz RORRWOZVGUMTCI-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725598 1183794465 /nfs/dbraw/zinc/79/44/65/1183794465.db2.gz RORRWOZVGUMTCI-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C)CC2 ZINC001473934410 1183832883 /nfs/dbraw/zinc/83/28/83/1183832883.db2.gz YQYUBXLWTSHLCM-GPMSIDNRSA-N 2 2 316.489 3.405 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C)CC2 ZINC001473934410 1183832888 /nfs/dbraw/zinc/83/28/88/1183832888.db2.gz YQYUBXLWTSHLCM-GPMSIDNRSA-N 2 2 316.489 3.405 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC001474010744 1183850100 /nfs/dbraw/zinc/85/01/00/1183850100.db2.gz WHGDYZYCWSIYFF-HSALFYBXSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC001474010744 1183850104 /nfs/dbraw/zinc/85/01/04/1183850104.db2.gz WHGDYZYCWSIYFF-HSALFYBXSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc(C)n1 ZINC001474078554 1183862783 /nfs/dbraw/zinc/86/27/83/1183862783.db2.gz OUQQWUYWZHONBK-QGZVFWFLSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1nc(F)ccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001474247203 1183889247 /nfs/dbraw/zinc/88/92/47/1183889247.db2.gz UUTUZOKEGONSAK-QGZVFWFLSA-N 2 2 310.376 3.257 20 0 DGADLP Cc1csc2nc(C)c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n12 ZINC001474308250 1183901872 /nfs/dbraw/zinc/90/18/72/1183901872.db2.gz KNZYSVUGEJYOQS-CYBMUJFWSA-N 2 2 315.446 3.115 20 0 DGADLP Cc1csc2nc(C)c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n12 ZINC001474308250 1183901873 /nfs/dbraw/zinc/90/18/73/1183901873.db2.gz KNZYSVUGEJYOQS-CYBMUJFWSA-N 2 2 315.446 3.115 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495447 1183931014 /nfs/dbraw/zinc/93/10/14/1183931014.db2.gz BOUXCGQWVCBTMF-BRWVUGGUSA-N 2 2 308.510 3.434 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495447 1183931015 /nfs/dbraw/zinc/93/10/15/1183931015.db2.gz BOUXCGQWVCBTMF-BRWVUGGUSA-N 2 2 308.510 3.434 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001474647902 1183955784 /nfs/dbraw/zinc/95/57/84/1183955784.db2.gz WLXLEXJRNNQZSN-KSSFIOAISA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001474647902 1183955787 /nfs/dbraw/zinc/95/57/87/1183955787.db2.gz WLXLEXJRNNQZSN-KSSFIOAISA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001474647899 1183956499 /nfs/dbraw/zinc/95/64/99/1183956499.db2.gz WLXLEXJRNNQZSN-KBXCAEBGSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001474647899 1183956502 /nfs/dbraw/zinc/95/65/02/1183956502.db2.gz WLXLEXJRNNQZSN-KBXCAEBGSA-N 2 2 308.441 3.387 20 0 DGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@]12CCC[C@H]1OCC2 ZINC001474755055 1183973420 /nfs/dbraw/zinc/97/34/20/1183973420.db2.gz MEVDFLSBAKRMIM-IAGOWNOFSA-N 2 2 317.458 3.325 20 0 DGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@]12CCC[C@H]1OCC2 ZINC001474755055 1183973421 /nfs/dbraw/zinc/97/34/21/1183973421.db2.gz MEVDFLSBAKRMIM-IAGOWNOFSA-N 2 2 317.458 3.325 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001480507083 1184539737 /nfs/dbraw/zinc/53/97/37/1184539737.db2.gz ICVZETOMTQEWRS-CQSZACIVSA-N 2 2 317.477 3.151 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001499912246 1185714908 /nfs/dbraw/zinc/71/49/08/1185714908.db2.gz DBIGWXBMGWCZSG-DYVFJYSZSA-N 2 2 317.477 3.247 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001499912248 1185715233 /nfs/dbraw/zinc/71/52/33/1185715233.db2.gz DBIGWXBMGWCZSG-SUMWQHHRSA-N 2 2 317.477 3.247 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC001621148654 1193464168 /nfs/dbraw/zinc/46/41/68/1193464168.db2.gz PNEUNEKOAFELMH-OAHLLOKOSA-N 2 2 308.441 3.388 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC001621148654 1193464172 /nfs/dbraw/zinc/46/41/72/1193464172.db2.gz PNEUNEKOAFELMH-OAHLLOKOSA-N 2 2 308.441 3.388 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)c1cccc(O)c1 ZINC001543797113 1188363930 /nfs/dbraw/zinc/36/39/30/1188363930.db2.gz NLCNLKXKRPTRFK-LBPRGKRZSA-N 2 2 322.368 3.024 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368445 1188514131 /nfs/dbraw/zinc/51/41/31/1188514131.db2.gz UBYCNHNVWUQTDZ-LLVKDONJSA-N 2 2 313.323 3.412 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001549368445 1188514134 /nfs/dbraw/zinc/51/41/34/1188514134.db2.gz UBYCNHNVWUQTDZ-LLVKDONJSA-N 2 2 313.323 3.412 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001549582812 1188527840 /nfs/dbraw/zinc/52/78/40/1188527840.db2.gz BUPIXGIQHPRQCL-LBPRGKRZSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001549582812 1188527843 /nfs/dbraw/zinc/52/78/43/1188527843.db2.gz BUPIXGIQHPRQCL-LBPRGKRZSA-N 2 2 324.350 3.214 20 0 DGADLP c1c[nH+]c([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC001550133574 1188585010 /nfs/dbraw/zinc/58/50/10/1188585010.db2.gz TXGOCAFSXSAKRH-IBGZPJMESA-N 3 2 324.472 3.385 20 0 DGADLP c1c[nH+]c([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC001550133574 1188585013 /nfs/dbraw/zinc/58/50/13/1188585013.db2.gz TXGOCAFSXSAKRH-IBGZPJMESA-N 3 2 324.472 3.385 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)[nH+]c1C ZINC001550217147 1188595243 /nfs/dbraw/zinc/59/52/43/1188595243.db2.gz BJSBJWRYTOZNBY-SFHVURJKSA-N 2 2 312.417 3.164 20 0 DGADLP C[C@H](c1cccc(OC(F)(F)F)c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001550700623 1188642832 /nfs/dbraw/zinc/64/28/32/1188642832.db2.gz CTEGPHZEAUBTNZ-CDWSIMAYSA-N 2 2 300.324 3.069 20 0 DGADLP C[C@H](c1cccc(OC(F)(F)F)c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001550700623 1188642833 /nfs/dbraw/zinc/64/28/33/1188642833.db2.gz CTEGPHZEAUBTNZ-CDWSIMAYSA-N 2 2 300.324 3.069 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551379634 1188732656 /nfs/dbraw/zinc/73/26/56/1188732656.db2.gz ZESNCYQMSYHYQJ-SPMACDIQSA-N 2 2 322.452 3.402 20 0 DGADLP Fc1cc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC001553026444 1188891265 /nfs/dbraw/zinc/89/12/65/1188891265.db2.gz NNSSCSZCAIKECZ-XHSDSOJGSA-N 2 2 324.827 3.183 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069579 1189274947 /nfs/dbraw/zinc/27/49/47/1189274947.db2.gz WEBAUJZNUNLONY-RCCFBDPRSA-N 2 2 324.509 3.161 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069579 1189274953 /nfs/dbraw/zinc/27/49/53/1189274953.db2.gz WEBAUJZNUNLONY-RCCFBDPRSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)n1c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)nc2ccccc21 ZINC001560313390 1189310377 /nfs/dbraw/zinc/31/03/77/1189310377.db2.gz WWRCPXIYPVEPDJ-OAHLLOKOSA-N 2 2 311.433 3.240 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001560329252 1189312376 /nfs/dbraw/zinc/31/23/76/1189312376.db2.gz ABQYPJQCOQMSDM-QZTJIDSGSA-N 2 2 316.489 3.407 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001560329252 1189312381 /nfs/dbraw/zinc/31/23/81/1189312381.db2.gz ABQYPJQCOQMSDM-QZTJIDSGSA-N 2 2 316.489 3.407 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccc12 ZINC001560388715 1189321730 /nfs/dbraw/zinc/32/17/30/1189321730.db2.gz MQAMVIRFUKJPOL-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccc12 ZINC001560388715 1189321736 /nfs/dbraw/zinc/32/17/36/1189321736.db2.gz MQAMVIRFUKJPOL-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccc12 ZINC001560388716 1189321968 /nfs/dbraw/zinc/32/19/68/1189321968.db2.gz MQAMVIRFUKJPOL-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccc12 ZINC001560388716 1189321973 /nfs/dbraw/zinc/32/19/73/1189321973.db2.gz MQAMVIRFUKJPOL-IFXJQAMLSA-N 2 2 310.441 3.421 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001560615827 1189347781 /nfs/dbraw/zinc/34/77/81/1189347781.db2.gz BVUUWNXURBCUQS-SJORKVTESA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001560615827 1189347783 /nfs/dbraw/zinc/34/77/83/1189347783.db2.gz BVUUWNXURBCUQS-SJORKVTESA-N 2 2 324.509 3.210 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001560624478 1189351094 /nfs/dbraw/zinc/35/10/94/1189351094.db2.gz PLIOHGOZINPVPS-HNNXBMFYSA-N 2 2 300.450 3.287 20 0 DGADLP CCNc1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001560748861 1189374229 /nfs/dbraw/zinc/37/42/29/1189374229.db2.gz HAWQNNKJCOWLSF-MRXNPFEDSA-N 2 2 312.461 3.307 20 0 DGADLP CCNc1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001560748861 1189374236 /nfs/dbraw/zinc/37/42/36/1189374236.db2.gz HAWQNNKJCOWLSF-MRXNPFEDSA-N 2 2 312.461 3.307 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001560954541 1189410713 /nfs/dbraw/zinc/41/07/13/1189410713.db2.gz SYJNXPAEXIFZHS-OWLYRPNTSA-N 2 2 304.503 3.381 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001560954541 1189410717 /nfs/dbraw/zinc/41/07/17/1189410717.db2.gz SYJNXPAEXIFZHS-OWLYRPNTSA-N 2 2 304.503 3.381 20 0 DGADLP COC1(C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCCCCC1 ZINC001561016279 1189421308 /nfs/dbraw/zinc/42/13/08/1189421308.db2.gz SJLCTZOCOIYRMR-SFHVURJKSA-N 2 2 319.493 3.403 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050685 1189426597 /nfs/dbraw/zinc/42/65/97/1189426597.db2.gz DJXDGVGSOYLQLK-DOTOQJQBSA-N 2 2 305.466 3.243 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050685 1189426600 /nfs/dbraw/zinc/42/66/00/1189426600.db2.gz DJXDGVGSOYLQLK-DOTOQJQBSA-N 2 2 305.466 3.243 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H](C)c1ccco1 ZINC001565778067 1189670133 /nfs/dbraw/zinc/67/01/33/1189670133.db2.gz JERVNNLKMAFSMW-GFCCVEGCSA-N 2 2 310.357 3.301 20 0 DGADLP CC/C=C\CC[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568761648 1190585794 /nfs/dbraw/zinc/58/57/94/1190585794.db2.gz OLBXUFJAZLFZOA-HJWRWDBZSA-N 2 2 317.477 3.415 20 0 DGADLP CC/C=C/CC[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568761647 1190586160 /nfs/dbraw/zinc/58/61/60/1190586160.db2.gz OLBXUFJAZLFZOA-CMDGGOBGSA-N 2 2 317.477 3.415 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(C)C)c(C)[nH+]1 ZINC001570536518 1190879000 /nfs/dbraw/zinc/87/90/00/1190879000.db2.gz PUUVOBIPFNHPTN-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(C)C)c(C)[nH+]1 ZINC001570536518 1190879003 /nfs/dbraw/zinc/87/90/03/1190879003.db2.gz PUUVOBIPFNHPTN-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP CCCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001571627274 1191067971 /nfs/dbraw/zinc/06/79/71/1191067971.db2.gz QRJMRDJTSOJYRU-MRXNPFEDSA-N 2 2 316.449 3.097 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2ccnc(F)c2)CC1 ZINC001620498908 1193773132 /nfs/dbraw/zinc/77/31/32/1193773132.db2.gz YDWGCMOUTJDDFA-KRWDZBQOSA-N 2 2 305.441 3.307 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccnc(F)c2)CC1 ZINC001620498908 1193773137 /nfs/dbraw/zinc/77/31/37/1193773137.db2.gz YDWGCMOUTJDDFA-KRWDZBQOSA-N 2 2 305.441 3.307 20 0 DGADLP CC(C)OCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620694125 1193792548 /nfs/dbraw/zinc/79/25/48/1193792548.db2.gz NVMVOJFXHVNUND-SFHVURJKSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)OCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001620694125 1193792551 /nfs/dbraw/zinc/79/25/51/1193792551.db2.gz NVMVOJFXHVNUND-SFHVURJKSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H]1CC(C)(C)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001643443016 1195024777 /nfs/dbraw/zinc/02/47/77/1195024777.db2.gz IELARNMMPBYZAC-SFHVURJKSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H]1CC(C)(C)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001643443016 1195024781 /nfs/dbraw/zinc/02/47/81/1195024781.db2.gz IELARNMMPBYZAC-SFHVURJKSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001644207868 1195090382 /nfs/dbraw/zinc/09/03/82/1195090382.db2.gz DIHYEXQBBKDZAY-GJZGRUSLSA-N 2 2 324.428 3.058 20 0 DGADLP Cc1cccc(C2=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)c1C ZINC001648576704 1195310722 /nfs/dbraw/zinc/31/07/22/1195310722.db2.gz AWEDQXVFFJBSDY-IBGZPJMESA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cccc(C2=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1C ZINC001648576704 1195310726 /nfs/dbraw/zinc/31/07/26/1195310726.db2.gz AWEDQXVFFJBSDY-IBGZPJMESA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cccc(C2=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)c1C ZINC001648576704 1195310728 /nfs/dbraw/zinc/31/07/28/1195310728.db2.gz AWEDQXVFFJBSDY-IBGZPJMESA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cccc(C2=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)c1C ZINC001648576704 1195310731 /nfs/dbraw/zinc/31/07/31/1195310731.db2.gz AWEDQXVFFJBSDY-IBGZPJMESA-N 2 2 316.489 3.094 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001648647760 1195318015 /nfs/dbraw/zinc/31/80/15/1195318015.db2.gz RIDXASCSSGAVHE-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001648647760 1195318017 /nfs/dbraw/zinc/31/80/17/1195318017.db2.gz RIDXASCSSGAVHE-AWEZNQCLSA-N 2 2 302.422 3.314 20 0 DGADLP CN(C)c1cc[nH+]cc1CNC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001648709541 1195324301 /nfs/dbraw/zinc/32/43/01/1195324301.db2.gz GFSALNPEHHRKQU-HXUWFJFHSA-N 2 2 324.472 3.074 20 0 DGADLP CCn1nccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001650824896 1195387213 /nfs/dbraw/zinc/38/72/13/1195387213.db2.gz GSODRUNWESENOJ-LJQANCHMSA-N 2 2 323.444 3.247 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001651090937 1195413674 /nfs/dbraw/zinc/41/36/74/1195413674.db2.gz GKFKRNSEMUJBGX-MQVJKMGUSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001651090937 1195413677 /nfs/dbraw/zinc/41/36/77/1195413677.db2.gz GKFKRNSEMUJBGX-MQVJKMGUSA-N 2 2 308.853 3.454 20 0 DGADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(C)n1 ZINC001651170913 1195422113 /nfs/dbraw/zinc/42/21/13/1195422113.db2.gz GNESJGNIZRTQIK-UHFFFAOYSA-N 2 2 306.413 3.233 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001651289427 1195437861 /nfs/dbraw/zinc/43/78/61/1195437861.db2.gz NQXDYCQGCCGJQT-UHFFFAOYSA-N 2 2 318.383 3.495 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001651289427 1195437864 /nfs/dbraw/zinc/43/78/64/1195437864.db2.gz NQXDYCQGCCGJQT-UHFFFAOYSA-N 2 2 318.383 3.495 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)nc(C)[nH+]1 ZINC001651293122 1195438985 /nfs/dbraw/zinc/43/89/85/1195438985.db2.gz CYJDKMJURCDHFY-GOSISDBHSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)nc(C)[nH+]1 ZINC001651293122 1195438990 /nfs/dbraw/zinc/43/89/90/1195438990.db2.gz CYJDKMJURCDHFY-GOSISDBHSA-N 2 2 310.445 3.342 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC001651366288 1195450392 /nfs/dbraw/zinc/45/03/92/1195450392.db2.gz XGYLWACKPVWZNK-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC001651366288 1195450396 /nfs/dbraw/zinc/45/03/96/1195450396.db2.gz XGYLWACKPVWZNK-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000065890720 1195473929 /nfs/dbraw/zinc/47/39/29/1195473929.db2.gz FOACXBSQKQUELT-JTQLQIEISA-N 2 2 314.216 3.377 20 0 DGADLP CCO[C@H](C[NH2+]Cc1c2ccccc2oc1CC)C[NH+](C)C ZINC001651545021 1195478190 /nfs/dbraw/zinc/47/81/90/1195478190.db2.gz AHNFNIOXAINOSP-CQSZACIVSA-N 2 2 304.434 3.052 20 0 DGADLP CNc1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001652352280 1195586685 /nfs/dbraw/zinc/58/66/85/1195586685.db2.gz IYNARORJZIBKOI-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC/C=C\c3ccccc3)CC2)c1 ZINC001652459506 1195599507 /nfs/dbraw/zinc/59/95/07/1195599507.db2.gz GDXBZBUJQTXDEV-UITAMQMPSA-N 2 2 323.440 3.316 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000067222759 1195607728 /nfs/dbraw/zinc/60/77/28/1195607728.db2.gz KFCKTWBAFADGEY-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000067222759 1195607734 /nfs/dbraw/zinc/60/77/34/1195607734.db2.gz KFCKTWBAFADGEY-ZDUSSCGKSA-N 2 2 311.267 3.271 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC001652868638 1195663865 /nfs/dbraw/zinc/66/38/65/1195663865.db2.gz UUDZWFCMYZOKLH-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC001652868638 1195663867 /nfs/dbraw/zinc/66/38/67/1195663867.db2.gz UUDZWFCMYZOKLH-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC001653073486 1195685447 /nfs/dbraw/zinc/68/54/47/1195685447.db2.gz VIMGIJQOGTXHQH-UHFFFAOYSA-N 2 2 304.482 3.134 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC001653208281 1195698749 /nfs/dbraw/zinc/69/87/49/1195698749.db2.gz KYSHKZIUCDBNRX-KPFFTGBYSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653208281 1195698753 /nfs/dbraw/zinc/69/87/53/1195698753.db2.gz KYSHKZIUCDBNRX-KPFFTGBYSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585004 1195736206 /nfs/dbraw/zinc/73/62/06/1195736206.db2.gz PZDHNMHZXGDYLY-HKUYNNGSSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585004 1195736208 /nfs/dbraw/zinc/73/62/08/1195736208.db2.gz PZDHNMHZXGDYLY-HKUYNNGSSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC001654218061 1195785289 /nfs/dbraw/zinc/78/52/89/1195785289.db2.gz ICSDHRCLEZZIBA-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC001654218061 1195785291 /nfs/dbraw/zinc/78/52/91/1195785291.db2.gz ICSDHRCLEZZIBA-VQIMIIECSA-N 2 2 302.462 3.139 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](Cc3ccc(F)c4cccnc34)C[C@]2(C)C1 ZINC001654414387 1195801447 /nfs/dbraw/zinc/80/14/47/1195801447.db2.gz CLARCGHKLYLODQ-OALUTQOASA-N 2 2 313.420 3.148 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+](Cc1ccccn1)C2 ZINC001654521099 1195812519 /nfs/dbraw/zinc/81/25/19/1195812519.db2.gz QFMIREXHZDIOQM-NHCUHLMSSA-N 2 2 321.468 3.426 20 0 DGADLP C[NH+](C)CC(C)(C)[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC001654646607 1195826619 /nfs/dbraw/zinc/82/66/19/1195826619.db2.gz PDJKIMWCCUZULN-UHFFFAOYSA-N 2 2 318.383 3.404 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(O)ccc2Cl)CCN1c1cc[nH+]cc1 ZINC001654660708 1195828577 /nfs/dbraw/zinc/82/85/77/1195828577.db2.gz UAKDRBFSTVNWAS-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CCN1c1cc[nH+]cc1 ZINC001654660708 1195828578 /nfs/dbraw/zinc/82/85/78/1195828578.db2.gz UAKDRBFSTVNWAS-ZDUSSCGKSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC001654802091 1195841524 /nfs/dbraw/zinc/84/15/24/1195841524.db2.gz GUZKSPJNJQLPFU-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC001654802091 1195841526 /nfs/dbraw/zinc/84/15/26/1195841526.db2.gz GUZKSPJNJQLPFU-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP CCc1cc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001655066302 1195871480 /nfs/dbraw/zinc/87/14/80/1195871480.db2.gz QDVUERJKUOOBRR-OAHLLOKOSA-N 2 2 324.472 3.460 20 0 DGADLP CCc1cc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001655066302 1195871487 /nfs/dbraw/zinc/87/14/87/1195871487.db2.gz QDVUERJKUOOBRR-OAHLLOKOSA-N 2 2 324.472 3.460 20 0 DGADLP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130505 1195879806 /nfs/dbraw/zinc/87/98/06/1195879806.db2.gz IXNXERFCKQCFCD-JYJNAYRXSA-N 2 2 305.466 3.243 20 0 DGADLP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130505 1195879811 /nfs/dbraw/zinc/87/98/11/1195879811.db2.gz IXNXERFCKQCFCD-JYJNAYRXSA-N 2 2 305.466 3.243 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@H](C)C1 ZINC001655170993 1195886238 /nfs/dbraw/zinc/88/62/38/1195886238.db2.gz MSXZIJWMXFYSOP-CJNGLKHVSA-N 2 2 302.466 3.219 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@H](C)C1 ZINC001655170993 1195886240 /nfs/dbraw/zinc/88/62/40/1195886240.db2.gz MSXZIJWMXFYSOP-CJNGLKHVSA-N 2 2 302.466 3.219 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)nc(CC)[nH+]1 ZINC001655198076 1195889487 /nfs/dbraw/zinc/88/94/87/1195889487.db2.gz HCORQFHBDSYOFA-MRXNPFEDSA-N 2 2 302.466 3.278 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)nc(CC)[nH+]1 ZINC001655198076 1195889493 /nfs/dbraw/zinc/88/94/93/1195889493.db2.gz HCORQFHBDSYOFA-MRXNPFEDSA-N 2 2 302.466 3.278 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001655724564 1195956366 /nfs/dbraw/zinc/95/63/66/1195956366.db2.gz BGXQFINIQMOJFF-KGLIPLIRSA-N 2 2 309.885 3.368 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001655724566 1195956516 /nfs/dbraw/zinc/95/65/16/1195956516.db2.gz BGXQFINIQMOJFF-ZIAGYGMSSA-N 2 2 309.885 3.368 20 0 DGADLP Cc1nc(NC2CCC(C)([NH+](C)C)CC2)c2c([nH+]1)CCCC2 ZINC001655779693 1195961999 /nfs/dbraw/zinc/96/19/99/1195961999.db2.gz NAVZIMGAAHBKHO-UHFFFAOYSA-N 2 2 302.466 3.339 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001655811062 1195966174 /nfs/dbraw/zinc/96/61/74/1195966174.db2.gz GXBVNMZJEPXAMM-FUHWJXTLSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001655811062 1195966176 /nfs/dbraw/zinc/96/61/76/1195966176.db2.gz GXBVNMZJEPXAMM-FUHWJXTLSA-N 2 2 313.470 3.366 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC001655907227 1195975977 /nfs/dbraw/zinc/97/59/77/1195975977.db2.gz AZECUAJMYJXNIJ-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC001655956114 1195982385 /nfs/dbraw/zinc/98/23/85/1195982385.db2.gz ZAZJKHFKKGHDJC-RRFJBIMHSA-N 2 2 302.466 3.476 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC001655956114 1195982387 /nfs/dbraw/zinc/98/23/87/1195982387.db2.gz ZAZJKHFKKGHDJC-RRFJBIMHSA-N 2 2 302.466 3.476 20 0 DGADLP CCOc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)n1 ZINC001655983077 1195985361 /nfs/dbraw/zinc/98/53/61/1195985361.db2.gz QVDNQAKGRKRXDS-UHFFFAOYSA-N 2 2 313.445 3.092 20 0 DGADLP CCOc1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)n1 ZINC001655983077 1195985363 /nfs/dbraw/zinc/98/53/63/1195985363.db2.gz QVDNQAKGRKRXDS-UHFFFAOYSA-N 2 2 313.445 3.092 20 0 DGADLP Cc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC001655996463 1195985944 /nfs/dbraw/zinc/98/59/44/1195985944.db2.gz RDBRQAJACQHFNI-HUUCEWRRSA-N 2 2 310.869 3.237 20 0 DGADLP CCOc1c(Cl)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OC ZINC001656031732 1195988981 /nfs/dbraw/zinc/98/89/81/1195988981.db2.gz YRCSVLQZKLJHFY-GFCCVEGCSA-N 2 2 323.824 3.122 20 0 DGADLP CN(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000072659803 1196103491 /nfs/dbraw/zinc/10/34/91/1196103491.db2.gz KNNURTIRJLNKDD-HXUWFJFHSA-N 2 2 320.440 3.265 20 0 DGADLP CCO[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001657286291 1196127464 /nfs/dbraw/zinc/12/74/64/1196127464.db2.gz NZWUVQFSFDHQRL-RBUKOAKNSA-N 2 2 316.489 3.023 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1C ZINC001657296018 1196128229 /nfs/dbraw/zinc/12/82/29/1196128229.db2.gz ZTPYZSODXVBKKB-AWEZNQCLSA-N 2 2 304.478 3.190 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@H+]2CC[C@H](C)C2)c1C ZINC001657296018 1196128231 /nfs/dbraw/zinc/12/82/31/1196128231.db2.gz ZTPYZSODXVBKKB-AWEZNQCLSA-N 2 2 304.478 3.190 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1cccc(CC2CCC2)c1)C[NH+](C)C ZINC001657973885 1196198030 /nfs/dbraw/zinc/19/80/30/1196198030.db2.gz ZXBHRFHQJHBFEG-IBGZPJMESA-N 2 2 304.478 3.086 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001658174373 1196221058 /nfs/dbraw/zinc/22/10/58/1196221058.db2.gz CZMLZURHIZNCMW-HZSPNIEDSA-N 2 2 317.458 3.141 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001658174373 1196221062 /nfs/dbraw/zinc/22/10/62/1196221062.db2.gz CZMLZURHIZNCMW-HZSPNIEDSA-N 2 2 317.458 3.141 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001658174375 1196221612 /nfs/dbraw/zinc/22/16/12/1196221612.db2.gz CZMLZURHIZNCMW-MGPQQGTHSA-N 2 2 317.458 3.141 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001658174375 1196221618 /nfs/dbraw/zinc/22/16/18/1196221618.db2.gz CZMLZURHIZNCMW-MGPQQGTHSA-N 2 2 317.458 3.141 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348537 1196245979 /nfs/dbraw/zinc/24/59/79/1196245979.db2.gz ZDRNOXJANMOPEP-FUHWJXTLSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348537 1196245984 /nfs/dbraw/zinc/24/59/84/1196245984.db2.gz ZDRNOXJANMOPEP-FUHWJXTLSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348537 1196245987 /nfs/dbraw/zinc/24/59/87/1196245987.db2.gz ZDRNOXJANMOPEP-FUHWJXTLSA-N 2 2 318.509 3.298 20 0 DGADLP CCn1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC001658348537 1196245992 /nfs/dbraw/zinc/24/59/92/1196245992.db2.gz ZDRNOXJANMOPEP-FUHWJXTLSA-N 2 2 318.509 3.298 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC2(C)CCC2)CCOCC1 ZINC001658551543 1196272800 /nfs/dbraw/zinc/27/28/00/1196272800.db2.gz LANKJWUPSANXTG-UHFFFAOYSA-N 2 2 316.489 3.447 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC2(C)CCC2)CCOCC1 ZINC001658551543 1196272805 /nfs/dbraw/zinc/27/28/05/1196272805.db2.gz LANKJWUPSANXTG-UHFFFAOYSA-N 2 2 316.489 3.447 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001658576705 1196275717 /nfs/dbraw/zinc/27/57/17/1196275717.db2.gz UCPLNXDTAMMGGE-KRWDZBQOSA-N 2 2 301.434 3.066 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001658904238 1196317179 /nfs/dbraw/zinc/31/71/79/1196317179.db2.gz HXJKRXJPLFYDHV-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001658904238 1196317185 /nfs/dbraw/zinc/31/71/85/1196317185.db2.gz HXJKRXJPLFYDHV-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC001659203157 1196358883 /nfs/dbraw/zinc/35/88/83/1196358883.db2.gz XKCLEMZUFGJSID-INIZCTEOSA-N 2 2 303.425 3.314 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC001659203157 1196358885 /nfs/dbraw/zinc/35/88/85/1196358885.db2.gz XKCLEMZUFGJSID-INIZCTEOSA-N 2 2 303.425 3.314 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001659733776 1196409422 /nfs/dbraw/zinc/40/94/22/1196409422.db2.gz JFSPCTMZTBIJCR-WMLDXEAASA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001659733776 1196409424 /nfs/dbraw/zinc/40/94/24/1196409424.db2.gz JFSPCTMZTBIJCR-WMLDXEAASA-N 2 2 308.441 3.387 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004379 1196437068 /nfs/dbraw/zinc/43/70/68/1196437068.db2.gz WZDXOMYSQYYTHK-LMMKCTJWSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004379 1196437072 /nfs/dbraw/zinc/43/70/72/1196437072.db2.gz WZDXOMYSQYYTHK-LMMKCTJWSA-N 2 2 308.510 3.436 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001660239228 1196461005 /nfs/dbraw/zinc/46/10/05/1196461005.db2.gz WBHMNWJHDMUAPN-UHFFFAOYSA-N 2 2 317.408 3.338 20 0 DGADLP CC1(C)CC[N@H+](Cc2cccc3nsnc32)CC(C)(C)[NH2+]1 ZINC001660244546 1196462066 /nfs/dbraw/zinc/46/20/66/1196462066.db2.gz XBNMBEBHOVPKSF-UHFFFAOYSA-N 2 2 304.463 3.044 20 0 DGADLP CC1(C)CC[N@@H+](Cc2cccc3nsnc32)CC(C)(C)[NH2+]1 ZINC001660244546 1196462069 /nfs/dbraw/zinc/46/20/69/1196462069.db2.gz XBNMBEBHOVPKSF-UHFFFAOYSA-N 2 2 304.463 3.044 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC001660272754 1196464532 /nfs/dbraw/zinc/46/45/32/1196464532.db2.gz UFRIMJGBVIYJBE-KZNAEPCWSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001660375110 1196476836 /nfs/dbraw/zinc/47/68/36/1196476836.db2.gz JJHBXHCVYAHCBO-KRWDZBQOSA-N 2 2 322.493 3.428 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001660375110 1196476839 /nfs/dbraw/zinc/47/68/39/1196476839.db2.gz JJHBXHCVYAHCBO-KRWDZBQOSA-N 2 2 322.493 3.428 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001660503433 1196491645 /nfs/dbraw/zinc/49/16/45/1196491645.db2.gz IXRLDKXFGBJFHQ-UHFFFAOYSA-N 2 2 308.429 3.324 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)ncn1 ZINC001660677790 1196511222 /nfs/dbraw/zinc/51/12/22/1196511222.db2.gz QTXYQWXYLGSGJL-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)ncn1 ZINC001660677790 1196511224 /nfs/dbraw/zinc/51/12/24/1196511224.db2.gz QTXYQWXYLGSGJL-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP CCOc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000077221144 1196568225 /nfs/dbraw/zinc/56/82/25/1196568225.db2.gz GTTANOYGVGOWJV-QGZVFWFLSA-N 2 2 301.434 3.486 20 0 DGADLP COc1cc(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC001661208590 1196582039 /nfs/dbraw/zinc/58/20/39/1196582039.db2.gz GLBPNFCFJJCSHQ-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC001661642526 1196627279 /nfs/dbraw/zinc/62/72/79/1196627279.db2.gz BEXIJWQAEXCGMX-UHFFFAOYSA-N 2 2 304.463 3.427 20 0 DGADLP Cc1ccc(NCc2cccc3[nH+]ccn32)c(OCC[NH+](C)C)c1 ZINC001661863302 1196654467 /nfs/dbraw/zinc/65/44/67/1196654467.db2.gz REZPOVMEWANLJO-UHFFFAOYSA-N 2 2 324.428 3.195 20 0 DGADLP C[C@H](CC[NH2+]Cc1ncccc1C(F)(F)F)[NH+]1CCCCC1 ZINC001662194028 1196692991 /nfs/dbraw/zinc/69/29/91/1196692991.db2.gz KHNJLOFRJATGDA-CYBMUJFWSA-N 2 2 315.383 3.455 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c(C)cc(OC)nc1C ZINC001664600382 1197019511 /nfs/dbraw/zinc/01/95/11/1197019511.db2.gz DSVLTSAFEFOWQV-UHFFFAOYSA-N 2 2 307.482 3.261 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(C)cc(OC)nc1C ZINC001664600382 1197019516 /nfs/dbraw/zinc/01/95/16/1197019516.db2.gz DSVLTSAFEFOWQV-UHFFFAOYSA-N 2 2 307.482 3.261 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001665189617 1197106892 /nfs/dbraw/zinc/10/68/92/1197106892.db2.gz JWNPTQATXLHDRA-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001665189617 1197106893 /nfs/dbraw/zinc/10/68/93/1197106893.db2.gz JWNPTQATXLHDRA-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001665265213 1197116826 /nfs/dbraw/zinc/11/68/26/1197116826.db2.gz YHWZYTQAXRKNGB-VXGBXAGGSA-N 2 2 317.260 3.445 20 0 DGADLP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001665265213 1197116827 /nfs/dbraw/zinc/11/68/27/1197116827.db2.gz YHWZYTQAXRKNGB-VXGBXAGGSA-N 2 2 317.260 3.445 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001665277149 1197117473 /nfs/dbraw/zinc/11/74/73/1197117473.db2.gz JCBAYEGLIQUWJZ-HWOWSKLDSA-N 2 2 322.493 3.103 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001665277149 1197117476 /nfs/dbraw/zinc/11/74/76/1197117476.db2.gz JCBAYEGLIQUWJZ-HWOWSKLDSA-N 2 2 322.493 3.103 20 0 DGADLP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666933929 1197298879 /nfs/dbraw/zinc/29/88/79/1197298879.db2.gz YUAMSNMVXQPIST-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP CC/C=C\CC[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001670184538 1197524367 /nfs/dbraw/zinc/52/43/67/1197524367.db2.gz JHLNBBQOEVEWRC-FPLPWBNLSA-N 2 2 317.477 3.415 20 0 DGADLP CCc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000389878894 1197711918 /nfs/dbraw/zinc/71/19/18/1197711918.db2.gz XCYZHBDHMADDRY-KDOFPFPSSA-N 2 2 310.445 3.280 20 0 DGADLP CCc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000389878894 1197711932 /nfs/dbraw/zinc/71/19/32/1197711932.db2.gz XCYZHBDHMADDRY-KDOFPFPSSA-N 2 2 310.445 3.280 20 0 DGADLP CCCCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674687283 1197832848 /nfs/dbraw/zinc/83/28/48/1197832848.db2.gz OIJFSTBFWAYSEN-KGLIPLIRSA-N 2 2 316.449 3.240 20 0 DGADLP CCCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674687282 1197833677 /nfs/dbraw/zinc/83/36/77/1197833677.db2.gz OIJFSTBFWAYSEN-KBPBESRZSA-N 2 2 316.449 3.240 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683840 1198718386 /nfs/dbraw/zinc/71/83/86/1198718386.db2.gz GKDDANQRBDOWJF-MRXNPFEDSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683840 1198718390 /nfs/dbraw/zinc/71/83/90/1198718390.db2.gz GKDDANQRBDOWJF-MRXNPFEDSA-N 2 2 306.425 3.142 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000098163120 1199202966 /nfs/dbraw/zinc/20/29/66/1199202966.db2.gz OLRVMQSDJZDDGR-UHFFFAOYSA-N 2 2 320.868 3.198 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276341 1199592060 /nfs/dbraw/zinc/59/20/60/1199592060.db2.gz DXQSWYGCFPZVMZ-QFBILLFUSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276341 1199592067 /nfs/dbraw/zinc/59/20/67/1199592067.db2.gz DXQSWYGCFPZVMZ-QFBILLFUSA-N 2 2 310.441 3.435 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccsc2Br)CC1 ZINC000309630976 1199708452 /nfs/dbraw/zinc/70/84/52/1199708452.db2.gz HUHUFQHRNWJNBC-NSHDSACASA-N 2 2 303.269 3.085 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccsc2Br)CC1 ZINC000309630976 1199708446 /nfs/dbraw/zinc/70/84/46/1199708446.db2.gz HUHUFQHRNWJNBC-NSHDSACASA-N 2 2 303.269 3.085 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CCC[NH2+]1 ZINC000309839088 1199709532 /nfs/dbraw/zinc/70/95/32/1199709532.db2.gz VIYMEDFXYIOWFW-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CCC[NH2+]1 ZINC000309839088 1199709536 /nfs/dbraw/zinc/70/95/36/1199709536.db2.gz VIYMEDFXYIOWFW-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CCC[NH2+]1 ZINC000309786616 1199709648 /nfs/dbraw/zinc/70/96/48/1199709648.db2.gz GNSHUJIUOFVCJQ-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CCC[NH2+]1 ZINC000309786616 1199709653 /nfs/dbraw/zinc/70/96/53/1199709653.db2.gz GNSHUJIUOFVCJQ-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP CCC[N@H+](Cc1cc(Br)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000313671580 1199772990 /nfs/dbraw/zinc/77/29/90/1199772990.db2.gz CMJMQNUWGFLAAQ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1cc(Br)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000313671580 1199772993 /nfs/dbraw/zinc/77/29/93/1199772993.db2.gz CMJMQNUWGFLAAQ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001754614729 1200396224 /nfs/dbraw/zinc/39/62/24/1200396224.db2.gz LMRDXUHOMMGDFP-KRWDZBQOSA-N 2 2 315.461 3.167 20 0 DGADLP CCC(CC)C[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001690604867 1200644111 /nfs/dbraw/zinc/64/41/11/1200644111.db2.gz SMXKOERRVIIMRH-AWEZNQCLSA-N 2 2 305.466 3.151 20 0 DGADLP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699028819 1201694802 /nfs/dbraw/zinc/69/48/02/1201694802.db2.gz MTYBUJNMKQVKBT-IRXDYDNUSA-N 2 2 317.477 3.295 20 0 DGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCC(C)(C)C ZINC001700465464 1202283485 /nfs/dbraw/zinc/28/34/85/1202283485.db2.gz FBXSSYUKONQKKU-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCC(C)(C)C ZINC001700465464 1202283486 /nfs/dbraw/zinc/28/34/86/1202283486.db2.gz FBXSSYUKONQKKU-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237423274 1202673607 /nfs/dbraw/zinc/67/36/07/1202673607.db2.gz YFJPZRDJDIPPHB-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000237423274 1202673608 /nfs/dbraw/zinc/67/36/08/1202673608.db2.gz YFJPZRDJDIPPHB-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(C)C)c(C)[nH+]1 ZINC001716065082 1203437983 /nfs/dbraw/zinc/43/79/83/1203437983.db2.gz IZXMFIPKEIFHRF-IRXDYDNUSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CCC(C)C)C2CC2)c(C)[nH+]1 ZINC001716616888 1203506850 /nfs/dbraw/zinc/50/68/50/1203506850.db2.gz XYCAJOFCNLWXGL-QGZVFWFLSA-N 2 2 317.477 3.151 20 0 DGADLP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001717645303 1203693449 /nfs/dbraw/zinc/69/34/49/1203693449.db2.gz VLPTZZVPFRHKRQ-QAQDUYKDSA-N 2 2 317.477 3.295 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725104287 1204095401 /nfs/dbraw/zinc/09/54/01/1204095401.db2.gz OKRXTESOKKMRGH-HUUCEWRRSA-N 2 2 303.450 3.069 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001725497173 1204159445 /nfs/dbraw/zinc/15/94/45/1204159445.db2.gz JSDPWEZBGJCRRC-INIZCTEOSA-N 2 2 319.493 3.493 20 0 DGADLP CC/C=C\CC[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731779848 1204552261 /nfs/dbraw/zinc/55/22/61/1204552261.db2.gz MBLVQTRUOAGMPF-FPLPWBNLSA-N 2 2 303.450 3.025 20 0 DGADLP CC/C=C\CC[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731779848 1204552264 /nfs/dbraw/zinc/55/22/64/1204552264.db2.gz MBLVQTRUOAGMPF-FPLPWBNLSA-N 2 2 303.450 3.025 20 0 DGADLP CC[C@H](C)C[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001732561280 1204897121 /nfs/dbraw/zinc/89/71/21/1204897121.db2.gz ATQQWSBXHAYULE-GUYCJALGSA-N 2 2 319.493 3.397 20 0 DGADLP COc1cc(C)c[nH+]c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049788 721973961 /nfs/dbraw/zinc/97/39/61/721973961.db2.gz RGPIEJNZJCCRLG-MRXNPFEDSA-N 2 2 303.450 3.243 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC001169494306 1081576588 /nfs/dbraw/zinc/57/65/88/1081576588.db2.gz HLTFKGBDFDCTON-MBOZVWFJSA-N 2 2 316.489 3.433 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811618 1081697975 /nfs/dbraw/zinc/69/79/75/1081697975.db2.gz WIRQXAUCAMZTBF-GHMZBOCLSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811618 1081697977 /nfs/dbraw/zinc/69/79/77/1081697977.db2.gz WIRQXAUCAMZTBF-GHMZBOCLSA-N 2 2 317.296 3.378 20 0 DGADLP c1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001203154026 1081929116 /nfs/dbraw/zinc/92/91/16/1081929116.db2.gz RMHTZAULNQDYRM-QGZVFWFLSA-N 2 2 312.461 3.175 20 0 DGADLP c1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001203154026 1081929123 /nfs/dbraw/zinc/92/91/23/1081929123.db2.gz RMHTZAULNQDYRM-QGZVFWFLSA-N 2 2 312.461 3.175 20 0 DGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001170064455 1081980034 /nfs/dbraw/zinc/98/00/34/1081980034.db2.gz OQXLFOIKQWPAIT-WDSOQIARSA-N 2 2 303.494 3.003 20 0 DGADLP CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072924313 1082065811 /nfs/dbraw/zinc/06/58/11/1082065811.db2.gz BOLDVILVKOSWRY-KRWDZBQOSA-N 2 2 301.434 3.007 20 0 DGADLP CCCCCC[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266955016 1082371394 /nfs/dbraw/zinc/37/13/94/1082371394.db2.gz DIKMABCQKUNFQB-HNNXBMFYSA-N 2 2 305.466 3.295 20 0 DGADLP CCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133001664 1083027132 /nfs/dbraw/zinc/02/71/32/1083027132.db2.gz DTONZDLHAYIGLJ-DYVFJYSZSA-N 2 2 317.477 3.105 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170654670 1083048871 /nfs/dbraw/zinc/04/88/71/1083048871.db2.gz IGSDJVNOMZPEQP-MRXNPFEDSA-N 2 2 308.416 3.144 20 0 DGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC1CCCC1 ZINC001267813447 1083363678 /nfs/dbraw/zinc/36/36/78/1083363678.db2.gz STMIMXVUZDEQNG-KRWDZBQOSA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001267961865 1083655954 /nfs/dbraw/zinc/65/59/54/1083655954.db2.gz SKLIQVCYSZWPNY-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccc(F)c(F)c1 ZINC001204335761 1083696343 /nfs/dbraw/zinc/69/63/43/1083696343.db2.gz VRJVZZYYVFVLAE-CVEARBPZSA-N 2 2 308.416 3.456 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccc(F)c(F)c1 ZINC001204335761 1083696349 /nfs/dbraw/zinc/69/63/49/1083696349.db2.gz VRJVZZYYVFVLAE-CVEARBPZSA-N 2 2 308.416 3.456 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(F)c(F)c1 ZINC001204335761 1083696355 /nfs/dbraw/zinc/69/63/55/1083696355.db2.gz VRJVZZYYVFVLAE-CVEARBPZSA-N 2 2 308.416 3.456 20 0 DGADLP CCC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001481352572 1083807344 /nfs/dbraw/zinc/80/73/44/1083807344.db2.gz CAPCDRRLNJQRQG-UHFFFAOYSA-N 2 2 305.466 3.247 20 0 DGADLP CCC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001481352572 1083807354 /nfs/dbraw/zinc/80/73/54/1083807354.db2.gz CAPCDRRLNJQRQG-UHFFFAOYSA-N 2 2 305.466 3.247 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2c(F)cccc2Br)CC1 ZINC001205264285 1083917299 /nfs/dbraw/zinc/91/72/99/1083917299.db2.gz JBIDOIJVEITAQU-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2c(F)cccc2Br)CC1 ZINC001205264285 1083917305 /nfs/dbraw/zinc/91/73/05/1083917305.db2.gz JBIDOIJVEITAQU-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274362 1083973992 /nfs/dbraw/zinc/97/39/92/1083973992.db2.gz WBCBHAFPFLOZRK-HNNXBMFYSA-N 2 2 316.367 3.417 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205274362 1083974003 /nfs/dbraw/zinc/97/40/03/1083974003.db2.gz WBCBHAFPFLOZRK-HNNXBMFYSA-N 2 2 316.367 3.417 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1 ZINC001184337340 1084163047 /nfs/dbraw/zinc/16/30/47/1084163047.db2.gz FUCWZHVRJDTGNO-ZWKOTPCHSA-N 2 2 320.477 3.201 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001167839702 1084165301 /nfs/dbraw/zinc/16/53/01/1084165301.db2.gz BJTOPDHHPKWHBK-QGZVFWFLSA-N 3 2 318.509 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001270461368 1085823493 /nfs/dbraw/zinc/82/34/93/1085823493.db2.gz YXKRVMQHCIWUHL-CYBMUJFWSA-N 2 2 305.466 3.008 20 0 DGADLP CCc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000303149165 1085939852 /nfs/dbraw/zinc/93/98/52/1085939852.db2.gz VYAQFOXQDCWNQD-GOSISDBHSA-N 2 2 310.445 3.424 20 0 DGADLP CCc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000303149165 1085939858 /nfs/dbraw/zinc/93/98/58/1085939858.db2.gz VYAQFOXQDCWNQD-GOSISDBHSA-N 2 2 310.445 3.424 20 0 DGADLP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001167990914 1086054555 /nfs/dbraw/zinc/05/45/55/1086054555.db2.gz BOGPKVWFKNLJHM-UHFFFAOYSA-N 2 2 309.348 3.102 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cnccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011026 1086211350 /nfs/dbraw/zinc/21/13/50/1086211350.db2.gz MEGAYWCFUSNSNY-HZPDHXFCSA-N 2 2 310.445 3.008 20 0 DGADLP Cc1nccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168023044 1086409271 /nfs/dbraw/zinc/40/92/71/1086409271.db2.gz USITXIWGCNDMIP-HZPDHXFCSA-N 2 2 324.472 3.316 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1C ZINC001205018598 1086629559 /nfs/dbraw/zinc/62/95/59/1086629559.db2.gz VNBOYZVQUSCBOD-INIZCTEOSA-N 2 2 305.466 3.000 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1C ZINC001205018598 1086629564 /nfs/dbraw/zinc/62/95/64/1086629564.db2.gz VNBOYZVQUSCBOD-INIZCTEOSA-N 2 2 305.466 3.000 20 0 DGADLP CC[N@H+](C1COC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065219 1086660149 /nfs/dbraw/zinc/66/01/49/1086660149.db2.gz UWRACHOQHMAEBY-HOTGVXAUSA-N 2 2 302.462 3.149 20 0 DGADLP CC[N@@H+](C1COC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168065219 1086660154 /nfs/dbraw/zinc/66/01/54/1086660154.db2.gz UWRACHOQHMAEBY-HOTGVXAUSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@H]1CC([N@H+](C)Cc2ccncn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168066639 1086685883 /nfs/dbraw/zinc/68/58/83/1086685883.db2.gz QRQBBTSVHWKOFJ-IRXDYDNUSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@H]1CC([N@@H+](C)Cc2ccncn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168066639 1086685886 /nfs/dbraw/zinc/68/58/86/1086685886.db2.gz QRQBBTSVHWKOFJ-IRXDYDNUSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cc(Br)ccc1F)[NH+](C)C ZINC000697852647 1087344153 /nfs/dbraw/zinc/34/41/53/1087344153.db2.gz OXFRMEPBQKLFMG-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP COc1cccnc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168368156 1087425983 /nfs/dbraw/zinc/42/59/83/1087425983.db2.gz BHXOFQMRPZSDHF-GOSISDBHSA-N 2 2 315.461 3.005 20 0 DGADLP COc1c(F)cccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168372427 1087460252 /nfs/dbraw/zinc/46/02/52/1087460252.db2.gz WWVHXOYRRPSPTL-CYBMUJFWSA-N 2 2 306.425 3.359 20 0 DGADLP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865934 1087480546 /nfs/dbraw/zinc/48/05/46/1087480546.db2.gz VNHMHHVJBQAFQB-HNNXBMFYSA-N 2 2 304.777 3.094 20 0 DGADLP Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865934 1087480549 /nfs/dbraw/zinc/48/05/49/1087480549.db2.gz VNHMHHVJBQAFQB-HNNXBMFYSA-N 2 2 304.777 3.094 20 0 DGADLP CC(C)(C)Nc1nc(Cl)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205109536 1087932066 /nfs/dbraw/zinc/93/20/66/1087932066.db2.gz HXQUTEPXCKRJHP-SNVBAGLBSA-N 2 2 316.902 3.320 20 0 DGADLP CC(C)(C)Nc1nc(Cl)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205109536 1087932086 /nfs/dbraw/zinc/93/20/86/1087932086.db2.gz HXQUTEPXCKRJHP-SNVBAGLBSA-N 2 2 316.902 3.320 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124183 1088029911 /nfs/dbraw/zinc/02/99/11/1088029911.db2.gz KXFBRJCEUXPUGZ-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124183 1088029929 /nfs/dbraw/zinc/02/99/29/1088029929.db2.gz KXFBRJCEUXPUGZ-LBPRGKRZSA-N 2 2 302.340 3.027 20 0 DGADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc3c(c2)CCCN3)CC1 ZINC001159261412 1088259364 /nfs/dbraw/zinc/25/93/64/1088259364.db2.gz GTYCTEFNRGIETH-UHFFFAOYSA-N 2 2 323.444 3.111 20 0 DGADLP Cc1cc(C)c(N(c2[nH+]cccc2N)C2CC[NH2+]CC2)c(C)c1 ZINC001159289207 1088270320 /nfs/dbraw/zinc/27/03/20/1088270320.db2.gz WZKKYHICRDOVCI-UHFFFAOYSA-N 2 2 310.445 3.479 20 0 DGADLP Cc1cc(F)c(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1F ZINC001159322958 1088292771 /nfs/dbraw/zinc/29/27/71/1088292771.db2.gz CWGBLYULELVXDC-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP c1cnc(O[C@@H]2CC[NH2+]C2)c(Nc2cccc3cc[nH+]cc32)c1 ZINC001159347057 1088308210 /nfs/dbraw/zinc/30/82/10/1088308210.db2.gz LCFNPTLWNBCVSD-CQSZACIVSA-N 2 2 306.369 3.114 20 0 DGADLP c1cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)[nH+]c(C2CC2)c1 ZINC001159365687 1088320590 /nfs/dbraw/zinc/32/05/90/1088320590.db2.gz KIXDWZSJDZRAGP-UHFFFAOYSA-N 2 2 308.429 3.108 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@H]1C[NH3+] ZINC001205146079 1088322713 /nfs/dbraw/zinc/32/27/13/1088322713.db2.gz MQPCCPPOZLSOKB-WCBMZHEXSA-N 2 2 308.294 3.010 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)C[C@H]1C[NH3+] ZINC001205146079 1088322727 /nfs/dbraw/zinc/32/27/27/1088322727.db2.gz MQPCCPPOZLSOKB-WCBMZHEXSA-N 2 2 308.294 3.010 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206649070 1088324804 /nfs/dbraw/zinc/32/48/04/1088324804.db2.gz PTPAMLIMHVYXCZ-ZDUSSCGKSA-N 2 2 312.404 3.313 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206649070 1088324821 /nfs/dbraw/zinc/32/48/21/1088324821.db2.gz PTPAMLIMHVYXCZ-ZDUSSCGKSA-N 2 2 312.404 3.313 20 0 DGADLP Cc1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)ccc1[NH+](C)C ZINC001159456136 1088355314 /nfs/dbraw/zinc/35/53/14/1088355314.db2.gz PPBGEKHUQZMZNG-UHFFFAOYSA-N 2 2 310.445 3.214 20 0 DGADLP c1cc2c(cc1Nc1ccc(N3CCCCC3)[nH+]c1)C[NH2+]CC2 ZINC001159608607 1088415664 /nfs/dbraw/zinc/41/56/64/1088415664.db2.gz CFXHLTVMIQGABO-UHFFFAOYSA-N 2 2 308.429 3.461 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001205164612 1088422531 /nfs/dbraw/zinc/42/25/31/1088422531.db2.gz JARKJPBZBGSIRN-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001205164612 1088422538 /nfs/dbraw/zinc/42/25/38/1088422538.db2.gz JARKJPBZBGSIRN-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP CCc1nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC001159655335 1088435557 /nfs/dbraw/zinc/43/55/57/1088435557.db2.gz YRTOVJVUTONCIH-SFHVURJKSA-N 2 2 324.472 3.466 20 0 DGADLP C1=C(Nc2cccc3c2[C@@H]2Cc4ccccc4C[N@@H+]2CC3)C[NH2+]C1 ZINC001159656207 1088435866 /nfs/dbraw/zinc/43/58/66/1088435866.db2.gz CBZWOFIMAISYLL-FQEVSTJZSA-N 2 2 317.436 3.241 20 0 DGADLP C1=C(Nc2cccc3c2[C@@H]2Cc4ccccc4C[N@H+]2CC3)C[NH2+]C1 ZINC001159656207 1088435867 /nfs/dbraw/zinc/43/58/67/1088435867.db2.gz CBZWOFIMAISYLL-FQEVSTJZSA-N 2 2 317.436 3.241 20 0 DGADLP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403811 1088597876 /nfs/dbraw/zinc/59/78/76/1088597876.db2.gz MGMAVOGQNRXZKG-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403811 1088597898 /nfs/dbraw/zinc/59/78/98/1088597898.db2.gz MGMAVOGQNRXZKG-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c(C)[nH+]1 ZINC001160164309 1088681990 /nfs/dbraw/zinc/68/19/90/1088681990.db2.gz YUPPCRNCHSDUOW-CQSZACIVSA-N 2 2 301.365 3.322 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160400106 1088787555 /nfs/dbraw/zinc/78/75/55/1088787555.db2.gz PUBCRJHHOYMBIR-KDOFPFPSSA-N 2 2 307.397 3.459 20 0 DGADLP CC(C)CCC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528783 1088850856 /nfs/dbraw/zinc/85/08/56/1088850856.db2.gz VEQSPMWNMHLYHH-QGZVFWFLSA-N 2 2 322.497 3.002 20 0 DGADLP COc1ccc2nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c(C)cc2c1 ZINC001155053782 1088921173 /nfs/dbraw/zinc/92/11/73/1088921173.db2.gz RLOGINVAOAYYJJ-UHFFFAOYSA-N 2 2 322.412 3.205 20 0 DGADLP Cc1cc(Cl)c(C)c(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]1 ZINC001160741848 1088938335 /nfs/dbraw/zinc/93/83/35/1088938335.db2.gz SURWDZXEYYJRHJ-KOLCDFICSA-N 2 2 307.747 3.304 20 0 DGADLP c1ccc(-c2cc[nH+]c(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001155620368 1089188881 /nfs/dbraw/zinc/18/88/81/1089188881.db2.gz VANMFUOYFARCQB-IEBWSBKVSA-N 2 2 309.413 3.072 20 0 DGADLP Cc1cc(N2CCC([NH3+])(CC3CCC3)CC2)nc(C(C)C)[nH+]1 ZINC001161576395 1089294956 /nfs/dbraw/zinc/29/49/56/1089294956.db2.gz ODSGHWRUBFROBO-UHFFFAOYSA-N 2 2 302.466 3.396 20 0 DGADLP Cc1cc(Cl)c(C)c(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]1 ZINC001161581750 1089297384 /nfs/dbraw/zinc/29/73/84/1089297384.db2.gz BTDCBGGGPZZSGP-UHFFFAOYSA-N 2 2 316.836 3.201 20 0 DGADLP Cc1c[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC001156393930 1089502841 /nfs/dbraw/zinc/50/28/41/1089502841.db2.gz DLTSKIZVQIGJQE-UHFFFAOYSA-N 2 2 311.429 3.143 20 0 DGADLP COc1cccc(C2(Nc3[nH+]ccc(F)c3C)CC[NH2+]CC2)c1 ZINC001161996346 1089514708 /nfs/dbraw/zinc/51/47/08/1089514708.db2.gz FZFCXIJMQIFBAD-UHFFFAOYSA-N 2 2 315.392 3.229 20 0 DGADLP Nc1cn2ccc(N(CC[NH3+])c3cccc4ccccc43)cc2[nH+]1 ZINC001162005582 1089521354 /nfs/dbraw/zinc/52/13/54/1089521354.db2.gz TYPXXZIPICCDOJ-UHFFFAOYSA-N 2 2 317.396 3.167 20 0 DGADLP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484746790 1089640670 /nfs/dbraw/zinc/64/06/70/1089640670.db2.gz HBFAPZSNWZYIAA-CQSZACIVSA-N 2 2 316.449 3.003 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484746790 1089640674 /nfs/dbraw/zinc/64/06/74/1089640674.db2.gz HBFAPZSNWZYIAA-CQSZACIVSA-N 2 2 316.449 3.003 20 0 DGADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001484893974 1089731696 /nfs/dbraw/zinc/73/16/96/1089731696.db2.gz AHQDFGKKVHQBNQ-WMLDXEAASA-N 2 2 315.461 3.023 20 0 DGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001162461340 1089744649 /nfs/dbraw/zinc/74/46/49/1089744649.db2.gz OSJZCQLABZEWLW-RDJZCZTQSA-N 2 2 310.445 3.115 20 0 DGADLP COc1cc2c[nH+]c(NCc3ccc(N)[nH+]c3C)cc2cc1OC ZINC001156981549 1089774721 /nfs/dbraw/zinc/77/47/21/1089774721.db2.gz ZSOOKDJODLSPTA-UHFFFAOYSA-N 2 2 324.384 3.150 20 0 DGADLP Cc1cc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]cc1C(F)(F)F ZINC001162579167 1089802467 /nfs/dbraw/zinc/80/24/67/1089802467.db2.gz GZLGNAUCXPKWFU-ZDUSSCGKSA-N 2 2 305.319 3.303 20 0 DGADLP Cc1cc(N2CCCC[C@@]23CCC[NH2+]C3)nc(C(C)(C)C)[nH+]1 ZINC001157472845 1089986703 /nfs/dbraw/zinc/98/67/03/1089986703.db2.gz LFGUOBBTNHHGLI-SFHVURJKSA-N 2 2 302.466 3.195 20 0 DGADLP Cc1cc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001162880229 1090004009 /nfs/dbraw/zinc/00/40/09/1090004009.db2.gz IYAJTEKVLZYMOO-HNNXBMFYSA-N 2 2 320.481 3.067 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCCC2CCC2)c(C)[nH+]1 ZINC001162910304 1090019182 /nfs/dbraw/zinc/01/91/82/1090019182.db2.gz KCPYQWPWDJOAEX-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP Cc1cc(N(C)CC[N@H+](C)Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC001157556404 1090026402 /nfs/dbraw/zinc/02/64/02/1090026402.db2.gz DSALUVFXKFPJAP-UHFFFAOYSA-N 2 2 312.461 3.477 20 0 DGADLP Cc1cc(N(C)CC[N@@H+](C)Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC001157556404 1090026414 /nfs/dbraw/zinc/02/64/14/1090026414.db2.gz DSALUVFXKFPJAP-UHFFFAOYSA-N 2 2 312.461 3.477 20 0 DGADLP CCC[NH+]1C[C@H]2CN(c3[nH+]ccc4ccc(OC)cc43)C[C@@H]2C1 ZINC001157689561 1090073939 /nfs/dbraw/zinc/07/39/39/1090073939.db2.gz AOCQCOQQVLCXMX-HOTGVXAUSA-N 2 2 311.429 3.021 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001485335880 1090108563 /nfs/dbraw/zinc/10/85/63/1090108563.db2.gz XXFJPYFPNVHBAO-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001485335880 1090108566 /nfs/dbraw/zinc/10/85/66/1090108566.db2.gz XXFJPYFPNVHBAO-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163231756 1090128135 /nfs/dbraw/zinc/12/81/35/1090128135.db2.gz YXBUBVXNVDYJKQ-OAHLLOKOSA-N 2 2 310.426 3.405 20 0 DGADLP COc1cccc([C@H](C[NH3+])Nc2cc(C(C)C)[nH+]c(C)n2)c1 ZINC001163302922 1090145009 /nfs/dbraw/zinc/14/50/09/1090145009.db2.gz CGSKACGSJCSPOY-INIZCTEOSA-N 2 2 300.406 3.029 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001163331540 1090153879 /nfs/dbraw/zinc/15/38/79/1090153879.db2.gz CSTSOSZAQHTAGC-VQIMIIECSA-N 2 2 317.477 3.164 20 0 DGADLP CCCN(CCC)c1cc(NCC(C)(C)C[NH+](C)C)[nH+]cn1 ZINC001157944165 1090155034 /nfs/dbraw/zinc/15/50/34/1090155034.db2.gz CZHWYPBJPOSGPX-UHFFFAOYSA-N 2 2 307.486 3.103 20 0 DGADLP CCCN(CCC)c1cc(NCC(C)(C)C[NH+](C)C)nc[nH+]1 ZINC001157944165 1090155039 /nfs/dbraw/zinc/15/50/39/1090155039.db2.gz CZHWYPBJPOSGPX-UHFFFAOYSA-N 2 2 307.486 3.103 20 0 DGADLP CCN(c1cc(C2CCCCC2)[nH+]c(C)n1)[C@H]1CCC[NH2+]C1 ZINC001158205934 1090201303 /nfs/dbraw/zinc/20/13/03/1090201303.db2.gz XWQDFBMTNCEDPV-INIZCTEOSA-N 2 2 302.466 3.411 20 0 DGADLP Cc1[nH+]ccn1CCNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001163920373 1090287150 /nfs/dbraw/zinc/28/71/50/1090287150.db2.gz XZRVGXRQMLTYAY-UHFFFAOYSA-N 2 2 308.385 3.278 20 0 DGADLP CN(C)c1cc(Cl)[nH+]c(NCc2cccc(C[NH+](C)C)c2)c1 ZINC001163993040 1090310012 /nfs/dbraw/zinc/31/00/12/1090310012.db2.gz MEJRQWKDPQAMPH-UHFFFAOYSA-N 2 2 318.852 3.475 20 0 DGADLP [NH3+]CC1(c2ccccc2)CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001164443180 1090423406 /nfs/dbraw/zinc/42/34/06/1090423406.db2.gz OLVCRLIVPKWKEQ-UHFFFAOYSA-N 2 2 307.441 3.456 20 0 DGADLP Cc1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH+]c1C ZINC001165088644 1090463042 /nfs/dbraw/zinc/46/30/42/1090463042.db2.gz RZPPGBRDVZEULN-RBUKOAKNSA-N 2 2 307.441 3.409 20 0 DGADLP Cc1ccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[nH+]c1C ZINC001165088644 1090463044 /nfs/dbraw/zinc/46/30/44/1090463044.db2.gz RZPPGBRDVZEULN-RBUKOAKNSA-N 2 2 307.441 3.409 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]CCCCNc3cccc[nH+]3)ccc2O1 ZINC001649085808 1090593001 /nfs/dbraw/zinc/59/30/01/1090593001.db2.gz YZQDMRYZJBKEPM-OAHLLOKOSA-N 2 2 311.429 3.387 20 0 DGADLP CC(C)[NH+]1CCC(CNc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001166623095 1090631366 /nfs/dbraw/zinc/63/13/66/1090631366.db2.gz KMRVYRSPMIUCMY-UHFFFAOYSA-N 2 2 312.461 3.464 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001203547475 1090752896 /nfs/dbraw/zinc/75/28/96/1090752896.db2.gz OIJRTZWRAUYPAF-KRWDZBQOSA-N 2 2 312.413 3.442 20 0 DGADLP CCOc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001203547475 1090752904 /nfs/dbraw/zinc/75/29/04/1090752904.db2.gz OIJRTZWRAUYPAF-KRWDZBQOSA-N 2 2 312.413 3.442 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](CC3(C)COC3)C2)C1 ZINC001276415339 1090776102 /nfs/dbraw/zinc/77/61/02/1090776102.db2.gz IGKTXVZOKWTDSS-KRWDZBQOSA-N 2 2 308.510 3.247 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](CC3(C)COC3)C2)C1 ZINC001276415339 1090776106 /nfs/dbraw/zinc/77/61/06/1090776106.db2.gz IGKTXVZOKWTDSS-KRWDZBQOSA-N 2 2 308.510 3.247 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(O)c4)C[C@@H]3C2)cc1 ZINC001203861254 1090821613 /nfs/dbraw/zinc/82/16/13/1090821613.db2.gz UBNPTMDCEQYTGX-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(O)c4)C[C@@H]3C2)cc1 ZINC001203861254 1090821619 /nfs/dbraw/zinc/82/16/19/1090821619.db2.gz UBNPTMDCEQYTGX-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(O)c4)C[C@@H]3C2)cc1 ZINC001203861254 1090821623 /nfs/dbraw/zinc/82/16/23/1090821623.db2.gz UBNPTMDCEQYTGX-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(O)c4)C[C@@H]3C2)cc1 ZINC001203861254 1090821625 /nfs/dbraw/zinc/82/16/25/1090821625.db2.gz UBNPTMDCEQYTGX-BGYRXZFFSA-N 2 2 322.452 3.264 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204175764 1090914138 /nfs/dbraw/zinc/91/41/38/1090914138.db2.gz JLXOKYHIARKYNM-PMACEKPBSA-N 2 2 321.468 3.208 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC001204209227 1090922898 /nfs/dbraw/zinc/92/28/98/1090922898.db2.gz PCPPCHKMHBVTOF-UHFFFAOYSA-N 2 2 317.383 3.407 20 0 DGADLP C[NH+](C)CCCOc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC001204269607 1090937467 /nfs/dbraw/zinc/93/74/67/1090937467.db2.gz HABJWPCPCHIXKU-UHFFFAOYSA-N 2 2 319.474 3.106 20 0 DGADLP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC001204269607 1090937469 /nfs/dbraw/zinc/93/74/69/1090937469.db2.gz HABJWPCPCHIXKU-UHFFFAOYSA-N 2 2 319.474 3.106 20 0 DGADLP c1cn(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC2CCCC2)c[nH+]1 ZINC001276452132 1090942379 /nfs/dbraw/zinc/94/23/79/1090942379.db2.gz UZPFZPRHLMNPBF-KDURUIRLSA-N 2 2 316.493 3.002 20 0 DGADLP c1cn(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC2CCCC2)c[nH+]1 ZINC001276452132 1090942381 /nfs/dbraw/zinc/94/23/81/1090942381.db2.gz UZPFZPRHLMNPBF-KDURUIRLSA-N 2 2 316.493 3.002 20 0 DGADLP CC(C)c1cc(Br)ccc1C[NH+]1CCC([NH3+])CC1 ZINC001204645982 1091011799 /nfs/dbraw/zinc/01/17/99/1091011799.db2.gz DQJDWDSFXROIDP-UHFFFAOYSA-N 2 2 311.267 3.496 20 0 DGADLP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204675552 1091015030 /nfs/dbraw/zinc/01/50/30/1091015030.db2.gz RWINFSNPOZEDBO-UHFFFAOYSA-N 2 2 313.420 3.389 20 0 DGADLP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204675552 1091015037 /nfs/dbraw/zinc/01/50/37/1091015037.db2.gz RWINFSNPOZEDBO-UHFFFAOYSA-N 2 2 313.420 3.389 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001204941378 1091068517 /nfs/dbraw/zinc/06/85/17/1091068517.db2.gz KTFZRARHWJOBRI-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(F)c1 ZINC001204941378 1091068523 /nfs/dbraw/zinc/06/85/23/1091068523.db2.gz KTFZRARHWJOBRI-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001205009161 1091082967 /nfs/dbraw/zinc/08/29/67/1091082967.db2.gz IKECCNZKGFMJHA-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C(F)(F)F)C1 ZINC001205009161 1091082974 /nfs/dbraw/zinc/08/29/74/1091082974.db2.gz IKECCNZKGFMJHA-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001205009591 1091083201 /nfs/dbraw/zinc/08/32/01/1091083201.db2.gz YIYWZMWCXNHQIP-LBPRGKRZSA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001205009591 1091083208 /nfs/dbraw/zinc/08/32/08/1091083208.db2.gz YIYWZMWCXNHQIP-LBPRGKRZSA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cccc2Br)C1 ZINC001205017471 1091085131 /nfs/dbraw/zinc/08/51/31/1091085131.db2.gz ONXMECMZKPLDAE-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cccc2Br)C1 ZINC001205017471 1091085126 /nfs/dbraw/zinc/08/51/26/1091085126.db2.gz ONXMECMZKPLDAE-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205075787 1091095649 /nfs/dbraw/zinc/09/56/49/1091095649.db2.gz NJXUZYQZKYQHHW-JQWIXIFHSA-N 2 2 320.330 3.235 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205075787 1091095656 /nfs/dbraw/zinc/09/56/56/1091095656.db2.gz NJXUZYQZKYQHHW-JQWIXIFHSA-N 2 2 320.330 3.235 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cs2)cc1 ZINC001205124277 1091107954 /nfs/dbraw/zinc/10/79/54/1091107954.db2.gz NFGFVVJMMBDGHJ-CQSZACIVSA-N 2 2 317.458 3.132 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cs2)cc1 ZINC001205124277 1091107957 /nfs/dbraw/zinc/10/79/57/1091107957.db2.gz NFGFVVJMMBDGHJ-CQSZACIVSA-N 2 2 317.458 3.132 20 0 DGADLP COc1c(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205136146 1091111021 /nfs/dbraw/zinc/11/10/21/1091111021.db2.gz RAIHXAFOGFODAQ-GXSJLCMTSA-N 2 2 303.233 3.029 20 0 DGADLP COc1c(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205136146 1091111025 /nfs/dbraw/zinc/11/10/25/1091111025.db2.gz RAIHXAFOGFODAQ-GXSJLCMTSA-N 2 2 303.233 3.029 20 0 DGADLP COC(=[NH2+])c1cccc(-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001205249770 1091149693 /nfs/dbraw/zinc/14/96/93/1091149693.db2.gz ZJVHYROEDPFESQ-UHFFFAOYSA-N 2 2 313.401 3.051 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001205264341 1091155160 /nfs/dbraw/zinc/15/51/60/1091155160.db2.gz KQDMLVJNMYIXRK-KRWDZBQOSA-N 2 2 303.381 3.184 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001205264341 1091155164 /nfs/dbraw/zinc/15/51/64/1091155164.db2.gz KQDMLVJNMYIXRK-KRWDZBQOSA-N 2 2 303.381 3.184 20 0 DGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@](C)([NH3+])CC3)no2)cc1 ZINC001205266679 1091156991 /nfs/dbraw/zinc/15/69/91/1091156991.db2.gz VZIDZXBCMUAYGK-SFHVURJKSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@](C)([NH3+])CC3)no2)cc1 ZINC001205266679 1091156996 /nfs/dbraw/zinc/15/69/96/1091156996.db2.gz VZIDZXBCMUAYGK-SFHVURJKSA-N 2 2 315.417 3.054 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205304314 1091175217 /nfs/dbraw/zinc/17/52/17/1091175217.db2.gz NSHGDXFVWPJDMH-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205304314 1091175218 /nfs/dbraw/zinc/17/52/18/1091175218.db2.gz NSHGDXFVWPJDMH-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303807 1091175304 /nfs/dbraw/zinc/17/53/04/1091175304.db2.gz KSURYKCAHVUGFH-YPMHNXCESA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303807 1091175307 /nfs/dbraw/zinc/17/53/07/1091175307.db2.gz KSURYKCAHVUGFH-YPMHNXCESA-N 2 2 316.367 3.131 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC001205325123 1091185382 /nfs/dbraw/zinc/18/53/82/1091185382.db2.gz JMAYLPIBZXNWTJ-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC001205325123 1091185390 /nfs/dbraw/zinc/18/53/90/1091185390.db2.gz JMAYLPIBZXNWTJ-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001205325318 1091185717 /nfs/dbraw/zinc/18/57/17/1091185717.db2.gz MADLMDHWUJRMNI-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC001205325318 1091185719 /nfs/dbraw/zinc/18/57/19/1091185719.db2.gz MADLMDHWUJRMNI-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CC[NH2+]CC[C@H]2C)c2ccccc12 ZINC001205340616 1091192697 /nfs/dbraw/zinc/19/26/97/1091192697.db2.gz XKRZMMKMRKLFIF-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CC[NH2+]CC[C@H]2C)c2ccccc12 ZINC001205340616 1091192700 /nfs/dbraw/zinc/19/27/00/1091192700.db2.gz XKRZMMKMRKLFIF-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205376968 1091205010 /nfs/dbraw/zinc/20/50/10/1091205010.db2.gz PTAAUJYRBXDMGN-SFHVURJKSA-N 2 2 310.441 3.082 20 0 DGADLP Cc1ccccc1-c1ccccc1C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205376968 1091205016 /nfs/dbraw/zinc/20/50/16/1091205016.db2.gz PTAAUJYRBXDMGN-SFHVURJKSA-N 2 2 310.441 3.082 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001205662011 1091303029 /nfs/dbraw/zinc/30/30/29/1091303029.db2.gz QWLBMQJWLBUJDW-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001205662011 1091303038 /nfs/dbraw/zinc/30/30/38/1091303038.db2.gz QWLBMQJWLBUJDW-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819841 1091365538 /nfs/dbraw/zinc/36/55/38/1091365538.db2.gz ZCWSXFHSMQEJBR-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001205819841 1091365549 /nfs/dbraw/zinc/36/55/49/1091365549.db2.gz ZCWSXFHSMQEJBR-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827053 1091367388 /nfs/dbraw/zinc/36/73/88/1091367388.db2.gz FZHGVVPXSUBCKD-PBHICJAKSA-N 2 2 318.461 3.201 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827053 1091367399 /nfs/dbraw/zinc/36/73/99/1091367399.db2.gz FZHGVVPXSUBCKD-PBHICJAKSA-N 2 2 318.461 3.201 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205828183 1091370538 /nfs/dbraw/zinc/37/05/38/1091370538.db2.gz JYJRDNRGAAADAY-FZMZJTMJSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205828183 1091370551 /nfs/dbraw/zinc/37/05/51/1091370551.db2.gz JYJRDNRGAAADAY-FZMZJTMJSA-N 2 2 316.367 3.453 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842729 1091376415 /nfs/dbraw/zinc/37/64/15/1091376415.db2.gz OLQYFKASNZLBRZ-ZBFHGGJFSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842729 1091376426 /nfs/dbraw/zinc/37/64/26/1091376426.db2.gz OLQYFKASNZLBRZ-ZBFHGGJFSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842728 1091376879 /nfs/dbraw/zinc/37/68/79/1091376879.db2.gz OLQYFKASNZLBRZ-HOCLYGCPSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842728 1091376892 /nfs/dbraw/zinc/37/68/92/1091376892.db2.gz OLQYFKASNZLBRZ-HOCLYGCPSA-N 2 2 313.420 3.447 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c2cc[nH]c2ncc1Cl ZINC001138953401 1091390847 /nfs/dbraw/zinc/39/08/47/1091390847.db2.gz VPNWFSUYQPCGSB-UHFFFAOYSA-N 2 2 308.857 3.332 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c2cc[nH]c2ncc1Cl ZINC001138953401 1091390853 /nfs/dbraw/zinc/39/08/53/1091390853.db2.gz VPNWFSUYQPCGSB-UHFFFAOYSA-N 2 2 308.857 3.332 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901089 1091400027 /nfs/dbraw/zinc/40/00/27/1091400027.db2.gz BFACVSZYKJPENT-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001205901089 1091400036 /nfs/dbraw/zinc/40/00/36/1091400036.db2.gz BFACVSZYKJPENT-ZYHUDNBSSA-N 2 2 304.331 3.404 20 0 DGADLP [NH3+]C1([C@@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@@H]2CF)CC1 ZINC001165429244 1091427515 /nfs/dbraw/zinc/42/75/15/1091427515.db2.gz IIZZBEIEKYPHFP-DLBZAZTESA-N 2 2 311.404 3.262 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)cc(Cl)cc1F)CC2 ZINC001139053688 1091430301 /nfs/dbraw/zinc/43/03/01/1091430301.db2.gz JMEQSCCIPKXTSD-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(Br)n1 ZINC001205988413 1091437634 /nfs/dbraw/zinc/43/76/34/1091437634.db2.gz CTOQSCDLMLSPHD-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(Br)n1 ZINC001205988413 1091437637 /nfs/dbraw/zinc/43/76/37/1091437637.db2.gz CTOQSCDLMLSPHD-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2c1 ZINC001206163365 1091516176 /nfs/dbraw/zinc/51/61/76/1091516176.db2.gz BWTVJEWXDSNPMW-CABCVRRESA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2c1 ZINC001206163365 1091516182 /nfs/dbraw/zinc/51/61/82/1091516182.db2.gz BWTVJEWXDSNPMW-CABCVRRESA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206167513 1091517932 /nfs/dbraw/zinc/51/79/32/1091517932.db2.gz ZQUBJTGYGOPCMM-GJZGRUSLSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206167513 1091517937 /nfs/dbraw/zinc/51/79/37/1091517937.db2.gz ZQUBJTGYGOPCMM-GJZGRUSLSA-N 2 2 321.827 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1F ZINC001206167530 1091518367 /nfs/dbraw/zinc/51/83/67/1091518367.db2.gz ZSBSPYXHIIXTQR-UONOGXRCSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1F ZINC001206167530 1091518372 /nfs/dbraw/zinc/51/83/72/1091518372.db2.gz ZSBSPYXHIIXTQR-UONOGXRCSA-N 2 2 307.800 3.149 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206186009 1091527232 /nfs/dbraw/zinc/52/72/32/1091527232.db2.gz PRQXYKWGZDLJDZ-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206186009 1091527238 /nfs/dbraw/zinc/52/72/38/1091527238.db2.gz PRQXYKWGZDLJDZ-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP FC1(F)C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001139356935 1091533428 /nfs/dbraw/zinc/53/34/28/1091533428.db2.gz TYYZWOPOQXOPTC-GASCZTMLSA-N 2 2 303.356 3.349 20 0 DGADLP FC1(F)C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001139356935 1091533434 /nfs/dbraw/zinc/53/34/34/1091533434.db2.gz TYYZWOPOQXOPTC-GASCZTMLSA-N 2 2 303.356 3.349 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197891 1091533557 /nfs/dbraw/zinc/53/35/57/1091533557.db2.gz JZRXVDVYWJBBQG-ZJUUUORDSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197891 1091533564 /nfs/dbraw/zinc/53/35/64/1091533564.db2.gz JZRXVDVYWJBBQG-ZJUUUORDSA-N 2 2 321.259 3.080 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1C(C)C ZINC001206352224 1091590831 /nfs/dbraw/zinc/59/08/31/1091590831.db2.gz RMNJENAWZPYXPF-GOSISDBHSA-N 2 2 308.441 3.472 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1C(C)C ZINC001206352224 1091590839 /nfs/dbraw/zinc/59/08/39/1091590839.db2.gz RMNJENAWZPYXPF-GOSISDBHSA-N 2 2 308.441 3.472 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3cccnc3c2)CC1 ZINC001139746859 1091662703 /nfs/dbraw/zinc/66/27/03/1091662703.db2.gz YGYMXKKHGSERSW-UHFFFAOYSA-N 2 2 312.461 3.326 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3cccnc3c2)CC1 ZINC001139746859 1091662707 /nfs/dbraw/zinc/66/27/07/1091662707.db2.gz YGYMXKKHGSERSW-UHFFFAOYSA-N 2 2 312.461 3.326 20 0 DGADLP COc1c(F)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001206563438 1091670439 /nfs/dbraw/zinc/67/04/39/1091670439.db2.gz COJAWQVBSNPIGL-INIZCTEOSA-N 2 2 314.832 3.439 20 0 DGADLP COc1c(F)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001206563438 1091670443 /nfs/dbraw/zinc/67/04/43/1091670443.db2.gz COJAWQVBSNPIGL-INIZCTEOSA-N 2 2 314.832 3.439 20 0 DGADLP CC(C)[N@H+](Cc1cc(F)cc(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206583051 1091678007 /nfs/dbraw/zinc/67/80/07/1091678007.db2.gz SCAWCKGRJVYSDM-AWEZNQCLSA-N 2 2 300.368 3.456 20 0 DGADLP CC(C)[N@@H+](Cc1cc(F)cc(F)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206583051 1091678009 /nfs/dbraw/zinc/67/80/09/1091678009.db2.gz SCAWCKGRJVYSDM-AWEZNQCLSA-N 2 2 300.368 3.456 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842498 1091689327 /nfs/dbraw/zinc/68/93/27/1091689327.db2.gz IWPIASOKCPETIK-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842498 1091689332 /nfs/dbraw/zinc/68/93/32/1091689332.db2.gz IWPIASOKCPETIK-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842498 1091689336 /nfs/dbraw/zinc/68/93/36/1091689336.db2.gz IWPIASOKCPETIK-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842498 1091689341 /nfs/dbraw/zinc/68/93/41/1091689341.db2.gz IWPIASOKCPETIK-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842496 1091689559 /nfs/dbraw/zinc/68/95/59/1091689559.db2.gz IWPIASOKCPETIK-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842496 1091689561 /nfs/dbraw/zinc/68/95/61/1091689561.db2.gz IWPIASOKCPETIK-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842496 1091689562 /nfs/dbraw/zinc/68/95/62/1091689562.db2.gz IWPIASOKCPETIK-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001139842496 1091689563 /nfs/dbraw/zinc/68/95/63/1091689563.db2.gz IWPIASOKCPETIK-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@@H]([NH3+])c1cccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001206719393 1091711850 /nfs/dbraw/zinc/71/18/50/1091711850.db2.gz IVFRHNLJQOCEKB-CQSZACIVSA-N 2 2 314.404 3.345 20 0 DGADLP CN(c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1)c1ccccc1F ZINC001206737403 1091718668 /nfs/dbraw/zinc/71/86/68/1091718668.db2.gz PXVPBCMLTDNOSL-UHFFFAOYSA-N 2 2 313.420 3.374 20 0 DGADLP C[NH+]1CCC2(CC[N@H+](Cc3sc(Cl)nc3Cl)C2)CC1 ZINC001139959672 1091724047 /nfs/dbraw/zinc/72/40/47/1091724047.db2.gz XITSHXUCTPTVMG-UHFFFAOYSA-N 2 2 320.289 3.368 20 0 DGADLP C[NH+]1CCC2(CC[N@@H+](Cc3sc(Cl)nc3Cl)C2)CC1 ZINC001139959672 1091724054 /nfs/dbraw/zinc/72/40/54/1091724054.db2.gz XITSHXUCTPTVMG-UHFFFAOYSA-N 2 2 320.289 3.368 20 0 DGADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(C(F)(F)F)c1 ZINC001206769254 1091731516 /nfs/dbraw/zinc/73/15/16/1091731516.db2.gz NRUCYSMCGLBZLU-VXGBXAGGSA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(C(F)(F)F)c1 ZINC001206769254 1091731521 /nfs/dbraw/zinc/73/15/21/1091731521.db2.gz NRUCYSMCGLBZLU-VXGBXAGGSA-N 2 2 316.367 3.273 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140021117 1091740297 /nfs/dbraw/zinc/74/02/97/1091740297.db2.gz MAMKAJCTDUEZIQ-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140021117 1091740301 /nfs/dbraw/zinc/74/03/01/1091740301.db2.gz MAMKAJCTDUEZIQ-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(N)[nH+]1 ZINC001276492820 1091740961 /nfs/dbraw/zinc/74/09/61/1091740961.db2.gz NRVCZIUUJVTAER-RYQLBKOJSA-N 2 2 316.493 3.139 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(N)[nH+]1 ZINC001276492820 1091740966 /nfs/dbraw/zinc/74/09/66/1091740966.db2.gz NRVCZIUUJVTAER-RYQLBKOJSA-N 2 2 316.493 3.139 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC001140026945 1091743637 /nfs/dbraw/zinc/74/36/37/1091743637.db2.gz QYKGRKGBVOAMRO-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP CCOCC1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140025891 1091743654 /nfs/dbraw/zinc/74/36/54/1091743654.db2.gz GAJLGLAWXCXVNF-UHFFFAOYSA-N 2 2 313.445 3.429 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140028280 1091744911 /nfs/dbraw/zinc/74/49/11/1091744911.db2.gz QHVVQGNNFMXRGP-UHFFFAOYSA-N 3 2 312.461 3.097 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140028280 1091744915 /nfs/dbraw/zinc/74/49/15/1091744915.db2.gz QHVVQGNNFMXRGP-UHFFFAOYSA-N 3 2 312.461 3.097 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(OC)c(O)c3Cl)(C1)CCC2 ZINC001276497710 1091764585 /nfs/dbraw/zinc/76/45/85/1091764585.db2.gz NMUUCKQSRGWCHY-DLBZAZTESA-N 2 2 324.852 3.209 20 0 DGADLP Cc1ccnc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001206846493 1091767297 /nfs/dbraw/zinc/76/72/97/1091767297.db2.gz MWYBQJGJFCVSIL-HZPDHXFCSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001206863505 1091775836 /nfs/dbraw/zinc/77/58/36/1091775836.db2.gz RTHXPXNOXVGCIG-ZIAGYGMSSA-N 2 2 319.499 3.077 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3cccc(O)c23)CC1 ZINC001140237311 1091806274 /nfs/dbraw/zinc/80/62/74/1091806274.db2.gz UVPGASDPYJYTPE-UHFFFAOYSA-N 2 2 313.445 3.324 20 0 DGADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001207059484 1091832116 /nfs/dbraw/zinc/83/21/16/1091832116.db2.gz SOULMVUUZSZQLA-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001207059484 1091832120 /nfs/dbraw/zinc/83/21/20/1091832120.db2.gz SOULMVUUZSZQLA-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001207059484 1091832124 /nfs/dbraw/zinc/83/21/24/1091832124.db2.gz SOULMVUUZSZQLA-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001207059484 1091832130 /nfs/dbraw/zinc/83/21/30/1091832130.db2.gz SOULMVUUZSZQLA-OKILXGFUSA-N 2 2 319.499 3.077 20 0 DGADLP Cc1ncccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001207148390 1091863508 /nfs/dbraw/zinc/86/35/08/1091863508.db2.gz VNSKHGKDSVQOTI-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001207279684 1091908859 /nfs/dbraw/zinc/90/88/59/1091908859.db2.gz OXHHCNBVZIMRJN-UHFFFAOYSA-N 2 2 309.885 3.050 20 0 DGADLP Cc1cccc(C)c1N1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207284519 1091910930 /nfs/dbraw/zinc/91/09/30/1091910930.db2.gz OMMVDNBJDVPKND-UHFFFAOYSA-N 2 2 303.494 3.013 20 0 DGADLP C[NH+](C)CC(C)(C)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001207283113 1091911195 /nfs/dbraw/zinc/91/11/95/1091911195.db2.gz RXCKGTLVODHNRA-UHFFFAOYSA-N 2 2 323.912 3.045 20 0 DGADLP C[N@H+](Cc1ccc(CO)o1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140684446 1091958776 /nfs/dbraw/zinc/95/87/76/1091958776.db2.gz NOZMFRQRQOMKIT-UHFFFAOYSA-N 2 2 306.450 3.001 20 0 DGADLP C[N@@H+](Cc1ccc(CO)o1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140684446 1091958782 /nfs/dbraw/zinc/95/87/82/1091958782.db2.gz NOZMFRQRQOMKIT-UHFFFAOYSA-N 2 2 306.450 3.001 20 0 DGADLP CC[N@@H+](CCc1cccc(Br)c1)CCn1cc[nH+]c1 ZINC001207509819 1091997466 /nfs/dbraw/zinc/99/74/66/1091997466.db2.gz AKUIYEJXDHZFTP-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP CC[N@H+](CCc1cccc(Br)c1)CCn1cc[nH+]c1 ZINC001207509819 1091997475 /nfs/dbraw/zinc/99/74/75/1091997475.db2.gz AKUIYEJXDHZFTP-UHFFFAOYSA-N 2 2 322.250 3.210 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538667 1092008126 /nfs/dbraw/zinc/00/81/26/1092008126.db2.gz FIPOYJFJUKIUJT-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538667 1092008136 /nfs/dbraw/zinc/00/81/36/1092008136.db2.gz FIPOYJFJUKIUJT-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538667 1092008145 /nfs/dbraw/zinc/00/81/45/1092008145.db2.gz FIPOYJFJUKIUJT-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC001276538667 1092008155 /nfs/dbraw/zinc/00/81/55/1092008155.db2.gz FIPOYJFJUKIUJT-KRWDZBQOSA-N 2 2 316.474 3.056 20 0 DGADLP Cc1cc(N2CC[NH+](CCCCc3ccccc3)CC2)nc(C)[nH+]1 ZINC001207612137 1092041745 /nfs/dbraw/zinc/04/17/45/1092041745.db2.gz VKTFJCFUUMIWEO-UHFFFAOYSA-N 2 2 324.472 3.238 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140982253 1092093868 /nfs/dbraw/zinc/09/38/68/1092093868.db2.gz GWSKAOHHBFAREU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140982253 1092093879 /nfs/dbraw/zinc/09/38/79/1092093879.db2.gz GWSKAOHHBFAREU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC1(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)COC1 ZINC001207794196 1092103406 /nfs/dbraw/zinc/10/34/06/1092103406.db2.gz ATRSHGCGDBEFIL-UHFFFAOYSA-N 2 2 323.396 3.030 20 0 DGADLP Cc1ccncc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001141033593 1092112645 /nfs/dbraw/zinc/11/26/45/1092112645.db2.gz XDGLONCUHDESMZ-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP c1cn2ccc(C[NH+]3CCC4(CC3)OCc3ccccc34)cc2[nH+]1 ZINC001141044792 1092117827 /nfs/dbraw/zinc/11/78/27/1092117827.db2.gz YJTKZHGOYMCTAT-UHFFFAOYSA-N 2 2 319.408 3.356 20 0 DGADLP CCCCc1[nH]c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c[nH+]1 ZINC001141075040 1092129582 /nfs/dbraw/zinc/12/95/82/1092129582.db2.gz XAIGDSWQPGLEHO-DLBZAZTESA-N 2 2 322.472 3.151 20 0 DGADLP C[C@@H](C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904408 1092134041 /nfs/dbraw/zinc/13/40/41/1092134041.db2.gz DIMLSJZCJOOVTE-YSIASYRMSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904408 1092134047 /nfs/dbraw/zinc/13/40/47/1092134047.db2.gz DIMLSJZCJOOVTE-YSIASYRMSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904408 1092134052 /nfs/dbraw/zinc/13/40/52/1092134052.db2.gz DIMLSJZCJOOVTE-YSIASYRMSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904408 1092134054 /nfs/dbraw/zinc/13/40/54/1092134054.db2.gz DIMLSJZCJOOVTE-YSIASYRMSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1)c1ccccc1 ZINC001207903329 1092134268 /nfs/dbraw/zinc/13/42/68/1092134268.db2.gz GWETZDYGVKXECN-OAHLLOKOSA-N 2 2 322.412 3.081 20 0 DGADLP C[C@H](C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1)c1ccccc1 ZINC001207903329 1092134275 /nfs/dbraw/zinc/13/42/75/1092134275.db2.gz GWETZDYGVKXECN-OAHLLOKOSA-N 2 2 322.412 3.081 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001141200465 1092173613 /nfs/dbraw/zinc/17/36/13/1092173613.db2.gz TVVQLBCWROWZOI-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001141200465 1092173618 /nfs/dbraw/zinc/17/36/18/1092173618.db2.gz TVVQLBCWROWZOI-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001141225340 1092184583 /nfs/dbraw/zinc/18/45/83/1092184583.db2.gz FNGSOFPLQGQAOX-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1F ZINC001141225340 1092184585 /nfs/dbraw/zinc/18/45/85/1092184585.db2.gz FNGSOFPLQGQAOX-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP CC(C)[N@H+](CCCCCO)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243723 1092192048 /nfs/dbraw/zinc/19/20/48/1092192048.db2.gz UHTDHPLVZUURJZ-UHFFFAOYSA-N 2 2 301.434 3.245 20 0 DGADLP CC(C)[N@@H+](CCCCCO)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243723 1092192051 /nfs/dbraw/zinc/19/20/51/1092192051.db2.gz UHTDHPLVZUURJZ-UHFFFAOYSA-N 2 2 301.434 3.245 20 0 DGADLP CN(C)c1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001141259188 1092194733 /nfs/dbraw/zinc/19/47/33/1092194733.db2.gz GCCKTXYEQYIOGV-UHFFFAOYSA-N 2 2 311.429 3.191 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC001141270512 1092195556 /nfs/dbraw/zinc/19/55/56/1092195556.db2.gz ZUGHWTIZUKYAOB-SFHVURJKSA-N 2 2 311.429 3.109 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC001141270512 1092195558 /nfs/dbraw/zinc/19/55/58/1092195558.db2.gz ZUGHWTIZUKYAOB-SFHVURJKSA-N 2 2 311.429 3.109 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208189637 1092251999 /nfs/dbraw/zinc/25/19/99/1092251999.db2.gz WVLYLVXXNAFMOT-UHFFFAOYSA-N 3 2 309.542 3.305 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208189637 1092252011 /nfs/dbraw/zinc/25/20/11/1092252011.db2.gz WVLYLVXXNAFMOT-UHFFFAOYSA-N 3 2 309.542 3.305 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141649153 1092307417 /nfs/dbraw/zinc/30/74/17/1092307417.db2.gz QQUSORICOPIKEM-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141649153 1092307428 /nfs/dbraw/zinc/30/74/28/1092307428.db2.gz QQUSORICOPIKEM-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001492060175 1092366349 /nfs/dbraw/zinc/36/63/49/1092366349.db2.gz TUGGJIAOTWTDFA-AWEZNQCLSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C)[nH+]1 ZINC001142066053 1092401971 /nfs/dbraw/zinc/40/19/71/1092401971.db2.gz RWJFWGPBXSBPEU-ORAYPTAESA-N 2 2 317.477 3.247 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(-n3cnc4ccc(C[NH3+])cc43)cc21 ZINC001168847026 1092409118 /nfs/dbraw/zinc/40/91/18/1092409118.db2.gz ANUMGNLVJHLVMG-UHFFFAOYSA-N 2 2 318.424 3.485 20 0 DGADLP Cc1[nH+]cc2n1CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001208586109 1092411873 /nfs/dbraw/zinc/41/18/73/1092411873.db2.gz QKXMIKQHKYVRJM-IBGZPJMESA-N 2 2 324.472 3.062 20 0 DGADLP Cc1[nH+]cc2n1CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001208586109 1092411875 /nfs/dbraw/zinc/41/18/75/1092411875.db2.gz QKXMIKQHKYVRJM-IBGZPJMESA-N 2 2 324.472 3.062 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208601952 1092421287 /nfs/dbraw/zinc/42/12/87/1092421287.db2.gz UOYKVMWPGCJKBT-GOSISDBHSA-N 2 2 324.415 3.070 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001208601952 1092421303 /nfs/dbraw/zinc/42/13/03/1092421303.db2.gz UOYKVMWPGCJKBT-GOSISDBHSA-N 2 2 324.415 3.070 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208650327 1092440605 /nfs/dbraw/zinc/44/06/05/1092440605.db2.gz YYPOMRWATJGTKK-CXAGYDPISA-N 2 2 317.477 3.247 20 0 DGADLP Cc1ncsc1CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001168932482 1092444222 /nfs/dbraw/zinc/44/42/22/1092444222.db2.gz LBGWHNKFRXPDNW-UHFFFAOYSA-N 2 2 316.474 3.356 20 0 DGADLP CC(C)CCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001208732808 1092478478 /nfs/dbraw/zinc/47/84/78/1092478478.db2.gz MMKWGOWRRKPPBJ-UHFFFAOYSA-N 2 2 304.482 3.121 20 0 DGADLP CC[NH+](CC)Cc1cncc(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169008393 1092485766 /nfs/dbraw/zinc/48/57/66/1092485766.db2.gz BBMXMCDYXSDZER-UHFFFAOYSA-N 2 2 323.444 3.226 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118538 1092541514 /nfs/dbraw/zinc/54/15/14/1092541514.db2.gz JVGDHQZEXNNHAM-NFFDBFGFSA-N 2 2 308.372 3.003 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118538 1092541521 /nfs/dbraw/zinc/54/15/21/1092541521.db2.gz JVGDHQZEXNNHAM-NFFDBFGFSA-N 2 2 308.372 3.003 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118613 1092542345 /nfs/dbraw/zinc/54/23/45/1092542345.db2.gz LYNYSRAEKHMHAI-AYDFFVQHSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118613 1092542356 /nfs/dbraw/zinc/54/23/56/1092542356.db2.gz LYNYSRAEKHMHAI-AYDFFVQHSA-N 2 2 305.853 3.401 20 0 DGADLP Oc1cccnc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276594097 1092545226 /nfs/dbraw/zinc/54/52/26/1092545226.db2.gz QCBSCZOJXOCFBH-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cccnc1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276594097 1092545228 /nfs/dbraw/zinc/54/52/28/1092545228.db2.gz QCBSCZOJXOCFBH-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208939107 1092600100 /nfs/dbraw/zinc/60/01/00/1092600100.db2.gz FBNQPAIZSQEFKF-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208939107 1092600105 /nfs/dbraw/zinc/60/01/05/1092600105.db2.gz FBNQPAIZSQEFKF-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208939107 1092600111 /nfs/dbraw/zinc/60/01/11/1092600111.db2.gz FBNQPAIZSQEFKF-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208939107 1092600117 /nfs/dbraw/zinc/60/01/17/1092600117.db2.gz FBNQPAIZSQEFKF-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC34CCC4)C2)cc1 ZINC001208940075 1092604271 /nfs/dbraw/zinc/60/42/71/1092604271.db2.gz OMESETILMMGMLZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC34CCC4)C2)cc1 ZINC001208940075 1092604274 /nfs/dbraw/zinc/60/42/74/1092604274.db2.gz OMESETILMMGMLZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCOCC34CCC4)C2)cc1 ZINC001208940075 1092604278 /nfs/dbraw/zinc/60/42/78/1092604278.db2.gz OMESETILMMGMLZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCOCC34CCC4)C2)cc1 ZINC001208940075 1092604284 /nfs/dbraw/zinc/60/42/84/1092604284.db2.gz OMESETILMMGMLZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CCSC[C@H]2c2cccc(OC)c2)CC1 ZINC001169263669 1092607086 /nfs/dbraw/zinc/60/70/86/1092607086.db2.gz DYRCIZPTOSQZIN-SFHVURJKSA-N 2 2 320.502 3.269 20 0 DGADLP CC[NH+]1CCC([N@H+]2CCSC[C@H]2c2cccc(OC)c2)CC1 ZINC001169263669 1092607091 /nfs/dbraw/zinc/60/70/91/1092607091.db2.gz DYRCIZPTOSQZIN-SFHVURJKSA-N 2 2 320.502 3.269 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CCSC[C@@H]2c2cccc(OC)c2)CC1 ZINC001169263668 1092607460 /nfs/dbraw/zinc/60/74/60/1092607460.db2.gz DYRCIZPTOSQZIN-GOSISDBHSA-N 2 2 320.502 3.269 20 0 DGADLP CC[NH+]1CCC([N@H+]2CCSC[C@@H]2c2cccc(OC)c2)CC1 ZINC001169263668 1092607464 /nfs/dbraw/zinc/60/74/64/1092607464.db2.gz DYRCIZPTOSQZIN-GOSISDBHSA-N 2 2 320.502 3.269 20 0 DGADLP C[C@H]1CN(Cc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC001143034056 1092608927 /nfs/dbraw/zinc/60/89/27/1092608927.db2.gz UERWNLJVZKKAOO-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1CN(Cc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC001143034056 1092608934 /nfs/dbraw/zinc/60/89/34/1092608934.db2.gz UERWNLJVZKKAOO-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209094953 1092649240 /nfs/dbraw/zinc/64/92/40/1092649240.db2.gz MSSDBORBPZJMAK-SFHVURJKSA-N 2 2 324.509 3.450 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209094953 1092649257 /nfs/dbraw/zinc/64/92/57/1092649257.db2.gz MSSDBORBPZJMAK-SFHVURJKSA-N 2 2 324.509 3.450 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209094953 1092649262 /nfs/dbraw/zinc/64/92/62/1092649262.db2.gz MSSDBORBPZJMAK-SFHVURJKSA-N 2 2 324.509 3.450 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001209094953 1092649268 /nfs/dbraw/zinc/64/92/68/1092649268.db2.gz MSSDBORBPZJMAK-SFHVURJKSA-N 2 2 324.509 3.450 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209097236 1092651137 /nfs/dbraw/zinc/65/11/37/1092651137.db2.gz VAZBNEHCHNVOPX-MSOLQXFVSA-N 2 2 324.509 3.449 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209097236 1092651148 /nfs/dbraw/zinc/65/11/48/1092651148.db2.gz VAZBNEHCHNVOPX-MSOLQXFVSA-N 2 2 324.509 3.449 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209097236 1092651155 /nfs/dbraw/zinc/65/11/55/1092651155.db2.gz VAZBNEHCHNVOPX-MSOLQXFVSA-N 2 2 324.509 3.449 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209097236 1092651163 /nfs/dbraw/zinc/65/11/63/1092651163.db2.gz VAZBNEHCHNVOPX-MSOLQXFVSA-N 2 2 324.509 3.449 20 0 DGADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1C(F)(F)F ZINC001143342691 1092658657 /nfs/dbraw/zinc/65/86/57/1092658657.db2.gz SVFIDWLAGOMGAQ-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1C(F)(F)F ZINC001143342691 1092658664 /nfs/dbraw/zinc/65/86/64/1092658664.db2.gz SVFIDWLAGOMGAQ-UHFFFAOYSA-N 2 2 304.356 3.098 20 0 DGADLP CC(C)[N@H+](CCc1cc(F)c(F)cc1F)C1CC[NH+](C)CC1 ZINC001209256472 1092714847 /nfs/dbraw/zinc/71/48/47/1092714847.db2.gz CVLPWKOIVVKGKA-UHFFFAOYSA-N 2 2 314.395 3.451 20 0 DGADLP CC(C)[N@@H+](CCc1cc(F)c(F)cc1F)C1CC[NH+](C)CC1 ZINC001209256472 1092714854 /nfs/dbraw/zinc/71/48/54/1092714854.db2.gz CVLPWKOIVVKGKA-UHFFFAOYSA-N 2 2 314.395 3.451 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206633129 1092766838 /nfs/dbraw/zinc/76/68/38/1092766838.db2.gz UGFMHAMKHWGSRN-GFCCVEGCSA-N 2 2 314.832 3.439 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Cl ZINC001206633129 1092766845 /nfs/dbraw/zinc/76/68/45/1092766845.db2.gz UGFMHAMKHWGSRN-GFCCVEGCSA-N 2 2 314.832 3.439 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cnc(Cl)cc3C)CC2)cc[nH+]1 ZINC001209637929 1092859358 /nfs/dbraw/zinc/85/93/58/1092859358.db2.gz OSHVWZNXPOEAJJ-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cnc(Cl)cc2C)CC1 ZINC001209638433 1092859590 /nfs/dbraw/zinc/85/95/90/1092859590.db2.gz UOYGBVJYLPHFOG-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP C[NH+]1CCC(Oc2ccc(Nc3ccc4[nH]c[nH+]c4c3)nc2)CC1 ZINC001209847924 1092947078 /nfs/dbraw/zinc/94/70/78/1092947078.db2.gz GMZYNVZPXUOYFA-UHFFFAOYSA-N 2 2 323.400 3.175 20 0 DGADLP Cc1cc(Nc2cc[nH+]c(N3CCOCC3)c2)ccc1[NH+](C)C ZINC001210043196 1093024707 /nfs/dbraw/zinc/02/47/07/1093024707.db2.gz VHVANVGLCXTZHK-UHFFFAOYSA-N 2 2 312.417 3.036 20 0 DGADLP Cc1c[nH+]cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1C ZINC001213532516 1093605930 /nfs/dbraw/zinc/60/59/30/1093605930.db2.gz MJRMPMYQKVWHPQ-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000303394503 1093809001 /nfs/dbraw/zinc/80/90/01/1093809001.db2.gz UHZHYASFHYFHOY-UYAOXDASSA-N 2 2 315.505 3.115 20 0 DGADLP [NH3+]Cc1ccccc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001217061318 1094300617 /nfs/dbraw/zinc/30/06/17/1094300617.db2.gz YXVMLQZZJHAFNW-UHFFFAOYSA-N 2 2 317.352 3.048 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001135043069 1094373469 /nfs/dbraw/zinc/37/34/69/1094373469.db2.gz GGZQVTRXVRPJDF-HIFRSBDPSA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001135043068 1094373594 /nfs/dbraw/zinc/37/35/94/1094373594.db2.gz GGZQVTRXVRPJDF-DZGCQCFKSA-N 2 2 317.477 3.293 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044253 1094377327 /nfs/dbraw/zinc/37/73/27/1094377327.db2.gz REJQNHQDXSSFPJ-GOEBONIOSA-N 2 2 317.477 3.460 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/Cl)c(C)[nH+]1 ZINC001135044770 1094379863 /nfs/dbraw/zinc/37/98/63/1094379863.db2.gz ZYRLSJQTQLDVQS-WQYAIIHGSA-N 2 2 323.868 3.246 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC001120469065 1094435718 /nfs/dbraw/zinc/43/57/18/1094435718.db2.gz VMDQIANHUFQESS-OALUTQOASA-N 2 2 321.424 3.027 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC001217700008 1094476003 /nfs/dbraw/zinc/47/60/03/1094476003.db2.gz VXKQQFJZUSFJMV-CQSZACIVSA-N 2 2 314.776 3.016 20 0 DGADLP Cc1c[nH+]cc(C)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001121138537 1094585315 /nfs/dbraw/zinc/58/53/15/1094585315.db2.gz COBKGRDCNHUGSA-UHFFFAOYSA-N 2 2 323.440 3.359 20 0 DGADLP Cc1ccc(N2CCC[C@@H](Oc3cccc4c3CC[NH2+]C4)C2)[nH+]c1 ZINC001218389679 1094746236 /nfs/dbraw/zinc/74/62/36/1094746236.db2.gz CDKOSVUAORQMKY-QGZVFWFLSA-N 2 2 323.440 3.084 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001337239976 1094907506 /nfs/dbraw/zinc/90/75/06/1094907506.db2.gz SXOQRFVXGMSYCO-OAHLLOKOSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001337239976 1094907516 /nfs/dbraw/zinc/90/75/16/1094907516.db2.gz SXOQRFVXGMSYCO-OAHLLOKOSA-N 2 2 321.896 3.324 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945764 1094991004 /nfs/dbraw/zinc/99/10/04/1094991004.db2.gz XTSPDXACXMQBTN-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945764 1094991013 /nfs/dbraw/zinc/99/10/13/1094991013.db2.gz XTSPDXACXMQBTN-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945764 1094991023 /nfs/dbraw/zinc/99/10/23/1094991023.db2.gz XTSPDXACXMQBTN-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C[C@@H]21 ZINC001170945764 1094991032 /nfs/dbraw/zinc/99/10/32/1094991032.db2.gz XTSPDXACXMQBTN-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806277 1094992345 /nfs/dbraw/zinc/99/23/45/1094992345.db2.gz XZLYBLCMXUNMNY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806277 1094992352 /nfs/dbraw/zinc/99/23/52/1094992352.db2.gz XZLYBLCMXUNMNY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806277 1094992360 /nfs/dbraw/zinc/99/23/60/1094992360.db2.gz XZLYBLCMXUNMNY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)ccn1 ZINC001276806277 1094992368 /nfs/dbraw/zinc/99/23/68/1094992368.db2.gz XZLYBLCMXUNMNY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246104480 1095031286 /nfs/dbraw/zinc/03/12/86/1095031286.db2.gz BBHVBXSWVPHVCF-BIMULSAOSA-N 2 2 305.224 3.214 20 0 DGADLP C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCCC[NH2+]C1 ZINC000697086165 1095041439 /nfs/dbraw/zinc/04/14/39/1095041439.db2.gz JVDDBNWRZBATGN-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C[N@H+](Cc1csc(Br)c1)C[C@@H]1CCCC[NH2+]C1 ZINC000697086165 1095041452 /nfs/dbraw/zinc/04/14/52/1095041452.db2.gz JVDDBNWRZBATGN-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C/C(=C\c1ccco1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001136818649 1095181183 /nfs/dbraw/zinc/18/11/83/1095181183.db2.gz FMPXBNKLMGJIFR-ZRDIBKRKSA-N 2 2 308.341 3.211 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919284 1095200913 /nfs/dbraw/zinc/20/09/13/1095200913.db2.gz CYXJLTXJVFXHNJ-BPUTZDHNSA-N 2 2 320.502 3.141 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCCC2 ZINC000316919284 1095200922 /nfs/dbraw/zinc/20/09/22/1095200922.db2.gz CYXJLTXJVFXHNJ-BPUTZDHNSA-N 2 2 320.502 3.141 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC001136926313 1095237531 /nfs/dbraw/zinc/23/75/31/1095237531.db2.gz BEQLSFVMUVRKPJ-UHFFFAOYSA-N 2 2 316.836 3.177 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154472 1095462855 /nfs/dbraw/zinc/46/28/55/1095462855.db2.gz NLIJHEVTNNLWEH-MRXNPFEDSA-N 2 2 314.351 3.003 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154472 1095462861 /nfs/dbraw/zinc/46/28/61/1095462861.db2.gz NLIJHEVTNNLWEH-MRXNPFEDSA-N 2 2 314.351 3.003 20 0 DGADLP c1ccc2[nH]c(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222162013 1095468555 /nfs/dbraw/zinc/46/85/55/1095468555.db2.gz WCAKNPGKBQHHDC-LJQANCHMSA-N 2 2 312.461 3.309 20 0 DGADLP c1ccc2[nH]c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222162013 1095468560 /nfs/dbraw/zinc/46/85/60/1095468560.db2.gz WCAKNPGKBQHHDC-LJQANCHMSA-N 2 2 312.461 3.309 20 0 DGADLP Clc1ccncc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161923 1095469667 /nfs/dbraw/zinc/46/96/67/1095469667.db2.gz TZPZMHSGJFVXQE-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccncc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161923 1095469671 /nfs/dbraw/zinc/46/96/71/1095469671.db2.gz TZPZMHSGJFVXQE-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222192022 1095484156 /nfs/dbraw/zinc/48/41/56/1095484156.db2.gz RTRNFIYYVKKHCE-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1cccc(CCC[N@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222192022 1095484157 /nfs/dbraw/zinc/48/41/57/1095484157.db2.gz RTRNFIYYVKKHCE-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2c1 ZINC001222237829 1095505541 /nfs/dbraw/zinc/50/55/41/1095505541.db2.gz UQVUQGUWTPZGGX-SFHVURJKSA-N 2 2 300.402 3.159 20 0 DGADLP COc1ccc2oc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2c1 ZINC001222237829 1095505553 /nfs/dbraw/zinc/50/55/53/1095505553.db2.gz UQVUQGUWTPZGGX-SFHVURJKSA-N 2 2 300.402 3.159 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222264906 1095519073 /nfs/dbraw/zinc/51/90/73/1095519073.db2.gz KVQAOLUCVVNNIE-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222264906 1095519083 /nfs/dbraw/zinc/51/90/83/1095519083.db2.gz KVQAOLUCVVNNIE-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)cn1 ZINC001222321510 1095550701 /nfs/dbraw/zinc/55/07/01/1095550701.db2.gz XXAWKCDJUQDHNO-SFHVURJKSA-N 2 2 321.440 3.116 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)cn1 ZINC001222321510 1095550711 /nfs/dbraw/zinc/55/07/11/1095550711.db2.gz XXAWKCDJUQDHNO-SFHVURJKSA-N 2 2 321.440 3.116 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc(-c2ccncc2)c1 ZINC001222344636 1095565058 /nfs/dbraw/zinc/56/50/58/1095565058.db2.gz BBGDMWQFCIPFNY-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc(-c2ccncc2)c1 ZINC001222344636 1095565070 /nfs/dbraw/zinc/56/50/70/1095565070.db2.gz BBGDMWQFCIPFNY-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1c(C)c(C)c(C[N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c(C)c1C ZINC001222365443 1095575415 /nfs/dbraw/zinc/57/54/15/1095575415.db2.gz BOOGCGVPFAADMO-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1c(C)c(C)c(C[N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c(C)c1C ZINC001222365443 1095575427 /nfs/dbraw/zinc/57/54/27/1095575427.db2.gz BOOGCGVPFAADMO-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001222368974 1095575530 /nfs/dbraw/zinc/57/55/30/1095575530.db2.gz SBSPTCPCQPDPBE-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001222368974 1095575538 /nfs/dbraw/zinc/57/55/38/1095575538.db2.gz SBSPTCPCQPDPBE-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP Cn1c2ccccc2c2cc(C[NH+]3CC4(C3)CC[NH2+]C4)ccc21 ZINC001222379599 1095581072 /nfs/dbraw/zinc/58/10/72/1095581072.db2.gz FCIZKQMKOKHCIH-UHFFFAOYSA-N 2 2 305.425 3.127 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385419 1095583655 /nfs/dbraw/zinc/58/36/55/1095583655.db2.gz MPEWEQDGJURTIX-IBGZPJMESA-N 2 2 302.462 3.236 20 0 DGADLP COc1ccccc1CCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385419 1095583660 /nfs/dbraw/zinc/58/36/60/1095583660.db2.gz MPEWEQDGJURTIX-IBGZPJMESA-N 2 2 302.462 3.236 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)cc1 ZINC001222385620 1095583817 /nfs/dbraw/zinc/58/38/17/1095583817.db2.gz RRPLIGUTPJGFOC-UHFFFAOYSA-N 2 2 321.468 3.215 20 0 DGADLP Clc1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)nc1 ZINC001222385678 1095584873 /nfs/dbraw/zinc/58/48/73/1095584873.db2.gz TYGSPHMOIQRLHH-UHFFFAOYSA-N 2 2 313.832 3.197 20 0 DGADLP CCN1CCc2ccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc21 ZINC001222402063 1095596731 /nfs/dbraw/zinc/59/67/31/1095596731.db2.gz XNGIELPQSVQRSK-FQEVSTJZSA-N 2 2 313.489 3.177 20 0 DGADLP CCN1CCc2ccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc21 ZINC001222402063 1095596736 /nfs/dbraw/zinc/59/67/36/1095596736.db2.gz XNGIELPQSVQRSK-FQEVSTJZSA-N 2 2 313.489 3.177 20 0 DGADLP CCc1cnc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116555731 1095600661 /nfs/dbraw/zinc/60/06/61/1095600661.db2.gz USVXZNYMJRLRQS-CQSZACIVSA-N 2 2 316.474 3.485 20 0 DGADLP CCc1cnc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116555731 1095600668 /nfs/dbraw/zinc/60/06/68/1095600668.db2.gz USVXZNYMJRLRQS-CQSZACIVSA-N 2 2 316.474 3.485 20 0 DGADLP CCc1cccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)c1 ZINC001144324201 1095605534 /nfs/dbraw/zinc/60/55/34/1095605534.db2.gz ZWJVSKACRFLVEK-FQEVSTJZSA-N 2 2 316.489 3.324 20 0 DGADLP CCc1cccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)c1 ZINC001144324201 1095605538 /nfs/dbraw/zinc/60/55/38/1095605538.db2.gz ZWJVSKACRFLVEK-FQEVSTJZSA-N 2 2 316.489 3.324 20 0 DGADLP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420179 1095606258 /nfs/dbraw/zinc/60/62/58/1095606258.db2.gz BJVZUXFNOCEQIC-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420179 1095606264 /nfs/dbraw/zinc/60/62/64/1095606264.db2.gz BJVZUXFNOCEQIC-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP CCc1cccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1 ZINC001144326732 1095611716 /nfs/dbraw/zinc/61/17/16/1095611716.db2.gz PSECGOCELBNLIH-UHFFFAOYSA-N 2 2 316.489 3.324 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(O)cc1C(F)(F)F ZINC001144392051 1095631130 /nfs/dbraw/zinc/63/11/30/1095631130.db2.gz MDNBDWBBLBYZNC-UHFFFAOYSA-N 2 2 313.323 3.130 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(O)cc1C(F)(F)F ZINC001144392051 1095631133 /nfs/dbraw/zinc/63/11/33/1095631133.db2.gz MDNBDWBBLBYZNC-UHFFFAOYSA-N 2 2 313.323 3.130 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001116789796 1095661004 /nfs/dbraw/zinc/66/10/04/1095661004.db2.gz KNDVYBAILBKLOC-CQSZACIVSA-N 2 2 309.885 3.322 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001116789796 1095661013 /nfs/dbraw/zinc/66/10/13/1095661013.db2.gz KNDVYBAILBKLOC-CQSZACIVSA-N 2 2 309.885 3.322 20 0 DGADLP Cc1cccc(C)c1C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001137848036 1095761774 /nfs/dbraw/zinc/76/17/74/1095761774.db2.gz PTLYNHFLSJZIDB-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP Cc1cccc(C)c1C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001137848036 1095761785 /nfs/dbraw/zinc/76/17/85/1095761785.db2.gz PTLYNHFLSJZIDB-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH+](C)CC1 ZINC001138159376 1095909770 /nfs/dbraw/zinc/90/97/70/1095909770.db2.gz ZSNRGEUNERFZFN-UHFFFAOYSA-N 2 2 318.490 3.443 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH+](C)CC1 ZINC001138159376 1095909785 /nfs/dbraw/zinc/90/97/85/1095909785.db2.gz ZSNRGEUNERFZFN-UHFFFAOYSA-N 2 2 318.490 3.443 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246643653 1095953717 /nfs/dbraw/zinc/95/37/17/1095953717.db2.gz SLPDCQVJVIOQMU-CYBMUJFWSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246643653 1095953725 /nfs/dbraw/zinc/95/37/25/1095953725.db2.gz SLPDCQVJVIOQMU-CYBMUJFWSA-N 2 2 323.278 3.208 20 0 DGADLP CC(=O)c1cccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001340513747 1095966396 /nfs/dbraw/zinc/96/63/96/1095966396.db2.gz ISMAWZQOPOSRHX-UHFFFAOYSA-N 2 2 320.352 3.031 20 0 DGADLP Cc1cccn2cc(CCNC(=[NH2+])Nc3ccccc3C)[nH+]c12 ZINC001118351693 1095985959 /nfs/dbraw/zinc/98/59/59/1095985959.db2.gz AIUDTRZQAXYDBR-UHFFFAOYSA-N 2 2 307.401 3.130 20 0 DGADLP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146712991 1096093664 /nfs/dbraw/zinc/09/36/64/1096093664.db2.gz GNAUCBKBLRXAIK-IAGOWNOFSA-N 2 2 322.497 3.117 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2)cn1 ZINC001118859958 1096094342 /nfs/dbraw/zinc/09/43/42/1096094342.db2.gz HDEIOUQCAMLXMV-FQEVSTJZSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2)cn1 ZINC001118859958 1096094354 /nfs/dbraw/zinc/09/43/54/1096094354.db2.gz HDEIOUQCAMLXMV-FQEVSTJZSA-N 2 2 324.472 3.194 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([NH+](C)C)CC1)CC2 ZINC001171318072 1096298679 /nfs/dbraw/zinc/29/86/79/1096298679.db2.gz XPAXIVFJVWINCH-CQSZACIVSA-N 2 2 322.880 3.232 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(CN(c3cc[nH+]c(OC)c3)C2)C1 ZINC001277073592 1096532756 /nfs/dbraw/zinc/53/27/56/1096532756.db2.gz RXPMVGMOAXUKOZ-INIZCTEOSA-N 2 2 317.477 3.429 20 0 DGADLP COc1cc(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001277073829 1096533904 /nfs/dbraw/zinc/53/39/04/1096533904.db2.gz WMCMQCRTQUTFLP-UHFFFAOYSA-N 2 2 323.440 3.074 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171494168 1096899717 /nfs/dbraw/zinc/89/97/17/1096899717.db2.gz QKNKSRARMYDQPY-HIFRSBDPSA-N 2 2 317.383 3.358 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171471385 1096903388 /nfs/dbraw/zinc/90/33/88/1096903388.db2.gz HJIFFUFMSBUXRO-OAHLLOKOSA-N 2 2 313.351 3.260 20 0 DGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505905 1096913803 /nfs/dbraw/zinc/91/38/03/1096913803.db2.gz OEZOSEJTSGOCSM-DGCLKSJQSA-N 2 2 312.379 3.035 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001171563009 1096924459 /nfs/dbraw/zinc/92/44/59/1096924459.db2.gz BSHQKNLXQUFJIY-WOJBJXKFSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1cccc2c1CC[C@@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001171563009 1096924463 /nfs/dbraw/zinc/92/44/63/1096924463.db2.gz BSHQKNLXQUFJIY-WOJBJXKFSA-N 2 2 306.453 3.238 20 0 DGADLP CCOc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171627652 1096939206 /nfs/dbraw/zinc/93/92/06/1096939206.db2.gz ZJWUPCQXCIEXJG-UHFFFAOYSA-N 2 2 305.466 3.221 20 0 DGADLP C[NH+]1C(C)(C)CC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1(C)C ZINC001171641032 1096949073 /nfs/dbraw/zinc/94/90/73/1096949073.db2.gz ASXRZDBDZGUGAI-UHFFFAOYSA-N 3 2 304.482 3.171 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001277247698 1097001859 /nfs/dbraw/zinc/00/18/59/1097001859.db2.gz XTRZVJMRSAHFOS-CQSZACIVSA-N 2 2 317.477 3.295 20 0 DGADLP C[N@H+]([C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987844 1097028885 /nfs/dbraw/zinc/02/88/85/1097028885.db2.gz KOOKGENABYVLAV-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@@H+]([C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987844 1097028889 /nfs/dbraw/zinc/02/88/89/1097028889.db2.gz KOOKGENABYVLAV-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP C[NH+]([C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987844 1097028892 /nfs/dbraw/zinc/02/88/92/1097028892.db2.gz KOOKGENABYVLAV-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP C[NH+]([C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1(C)COC1 ZINC001171987844 1097028898 /nfs/dbraw/zinc/02/88/98/1097028898.db2.gz KOOKGENABYVLAV-QGZVFWFLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068958 1097045306 /nfs/dbraw/zinc/04/53/06/1097045306.db2.gz MJVCNSWBOQYVEA-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068958 1097045310 /nfs/dbraw/zinc/04/53/10/1097045310.db2.gz MJVCNSWBOQYVEA-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172068958 1097045317 /nfs/dbraw/zinc/04/53/17/1097045317.db2.gz MJVCNSWBOQYVEA-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172068958 1097045323 /nfs/dbraw/zinc/04/53/23/1097045323.db2.gz MJVCNSWBOQYVEA-FFGOWVMKSA-N 2 2 314.473 3.293 20 0 DGADLP Cc1ccn2cc(C[N@@H+](C)[C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)nc2c1 ZINC001172132036 1097050936 /nfs/dbraw/zinc/05/09/36/1097050936.db2.gz JLRZEXGCGZGUEM-BCDXTJNWSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[N@H+](C)[C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)nc2c1 ZINC001172132036 1097050946 /nfs/dbraw/zinc/05/09/46/1097050946.db2.gz JLRZEXGCGZGUEM-BCDXTJNWSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[NH+](C)[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)nc2c1 ZINC001172132036 1097050951 /nfs/dbraw/zinc/05/09/51/1097050951.db2.gz JLRZEXGCGZGUEM-BCDXTJNWSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[NH+](C)[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nc2c1 ZINC001172132036 1097050966 /nfs/dbraw/zinc/05/09/66/1097050966.db2.gz JLRZEXGCGZGUEM-BCDXTJNWSA-N 2 2 312.461 3.090 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172112881 1097059826 /nfs/dbraw/zinc/05/98/26/1097059826.db2.gz CRHWNZGWZCIEGT-LUPIEILUSA-N 3 2 307.526 3.244 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112881 1097059831 /nfs/dbraw/zinc/05/98/31/1097059831.db2.gz CRHWNZGWZCIEGT-LUPIEILUSA-N 3 2 307.526 3.244 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120874 1097065326 /nfs/dbraw/zinc/06/53/26/1097065326.db2.gz GRMQLXUOAPQJHK-VNTMZGSJSA-N 3 2 319.537 3.342 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120874 1097065331 /nfs/dbraw/zinc/06/53/31/1097065331.db2.gz GRMQLXUOAPQJHK-VNTMZGSJSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120874 1097065337 /nfs/dbraw/zinc/06/53/37/1097065337.db2.gz GRMQLXUOAPQJHK-VNTMZGSJSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001172120874 1097065343 /nfs/dbraw/zinc/06/53/43/1097065343.db2.gz GRMQLXUOAPQJHK-VNTMZGSJSA-N 3 2 319.537 3.342 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@H]1F ZINC001206163400 1097086688 /nfs/dbraw/zinc/08/66/88/1097086688.db2.gz CEKHLKALILAWIG-YPMHNXCESA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@H]1F ZINC001206163400 1097086693 /nfs/dbraw/zinc/08/66/93/1097086693.db2.gz CEKHLKALILAWIG-YPMHNXCESA-N 2 2 308.294 3.106 20 0 DGADLP C[N@H+]([C@@H]1COC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172283250 1097103623 /nfs/dbraw/zinc/10/36/23/1097103623.db2.gz IZOMFCWLUWBGCG-SFHVURJKSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@@H+]([C@@H]1COC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172283250 1097103626 /nfs/dbraw/zinc/10/36/26/1097103626.db2.gz IZOMFCWLUWBGCG-SFHVURJKSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172290123 1097105575 /nfs/dbraw/zinc/10/55/75/1097105575.db2.gz AJKPRNWPVCUQJB-KRWDZBQOSA-N 2 2 320.452 3.289 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172290123 1097105577 /nfs/dbraw/zinc/10/55/77/1097105577.db2.gz AJKPRNWPVCUQJB-KRWDZBQOSA-N 2 2 320.452 3.289 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001172372127 1097110747 /nfs/dbraw/zinc/11/07/47/1097110747.db2.gz CKMDMBPZJMLFOT-CKEIUWERSA-N 2 2 302.466 3.040 20 0 DGADLP CC[C@@H](C)OCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172346466 1097120452 /nfs/dbraw/zinc/12/04/52/1097120452.db2.gz ABGYTYBUTKYUEP-LSDHHAIUSA-N 2 2 323.456 3.373 20 0 DGADLP CC[C@@H](CC(C)C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172402127 1097145371 /nfs/dbraw/zinc/14/53/71/1097145371.db2.gz MYQXPMBGFJSEEY-AWEZNQCLSA-N 2 2 302.422 3.102 20 0 DGADLP CC[C@@H](CC(C)C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172402127 1097145375 /nfs/dbraw/zinc/14/53/75/1097145375.db2.gz MYQXPMBGFJSEEY-AWEZNQCLSA-N 2 2 302.422 3.102 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)CCOCC(C)C)C1 ZINC001172482383 1097151206 /nfs/dbraw/zinc/15/12/06/1097151206.db2.gz XYRVNUQDZKKIIY-IAGOWNOFSA-N 2 2 306.450 3.294 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)CCOCC(C)C)C1 ZINC001172482383 1097151209 /nfs/dbraw/zinc/15/12/09/1097151209.db2.gz XYRVNUQDZKKIIY-IAGOWNOFSA-N 2 2 306.450 3.294 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206166123 1097182101 /nfs/dbraw/zinc/18/21/01/1097182101.db2.gz QWFJSVCFRISRHN-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206166123 1097182104 /nfs/dbraw/zinc/18/21/04/1097182104.db2.gz QWFJSVCFRISRHN-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172577593 1097197052 /nfs/dbraw/zinc/19/70/52/1097197052.db2.gz VNMQVMLTWUSYRF-WDEREUQCSA-N 2 2 304.812 3.479 20 0 DGADLP COC(=O)[C@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637538 1097200809 /nfs/dbraw/zinc/20/08/09/1097200809.db2.gz RUBYTIKJUDRJTC-MAUKXSAKSA-N 2 2 322.493 3.057 20 0 DGADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637538 1097200812 /nfs/dbraw/zinc/20/08/12/1097200812.db2.gz RUBYTIKJUDRJTC-MAUKXSAKSA-N 2 2 322.493 3.057 20 0 DGADLP Clc1ccc2c(c1)C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001172721215 1097215708 /nfs/dbraw/zinc/21/57/08/1097215708.db2.gz CZQCHFOYRDRREN-CJNGLKHVSA-N 2 2 301.821 3.343 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172750084 1097224983 /nfs/dbraw/zinc/22/49/83/1097224983.db2.gz DWCGQAYNOAGHDJ-CQSZACIVSA-N 2 2 315.417 3.302 20 0 DGADLP C[N@@H+]1CCc2ncc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2C1 ZINC001212693390 1097281444 /nfs/dbraw/zinc/28/14/44/1097281444.db2.gz UHGCUZJDPRZXPA-UHFFFAOYSA-N 2 2 319.412 3.058 20 0 DGADLP C[N@H+]1CCc2ncc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2C1 ZINC001212693390 1097281447 /nfs/dbraw/zinc/28/14/47/1097281447.db2.gz UHGCUZJDPRZXPA-UHFFFAOYSA-N 2 2 319.412 3.058 20 0 DGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)C2)C1 ZINC001173045006 1097311505 /nfs/dbraw/zinc/31/15/05/1097311505.db2.gz NVGVKAHPTCQWDH-QGZVFWFLSA-N 2 2 306.494 3.332 20 0 DGADLP C1CCC([N@H+]2CC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)C2)C1 ZINC001173045006 1097311511 /nfs/dbraw/zinc/31/15/11/1097311511.db2.gz NVGVKAHPTCQWDH-QGZVFWFLSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173081408 1097326023 /nfs/dbraw/zinc/32/60/23/1097326023.db2.gz DVQPYWWJZIUYJY-NEPJUHHUSA-N 2 2 304.356 3.056 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206190238 1097330068 /nfs/dbraw/zinc/33/00/68/1097330068.db2.gz ZWAREOYVODGXGJ-LSDHHAIUSA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Cl ZINC001206190238 1097330072 /nfs/dbraw/zinc/33/00/72/1097330072.db2.gz ZWAREOYVODGXGJ-LSDHHAIUSA-N 2 2 314.832 3.388 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206647 1097379753 /nfs/dbraw/zinc/37/97/53/1097379753.db2.gz UCJDJVDLUBKONQ-OYGLOCFBSA-N 2 2 314.473 3.403 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206647 1097379756 /nfs/dbraw/zinc/37/97/56/1097379756.db2.gz UCJDJVDLUBKONQ-OYGLOCFBSA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206647 1097379761 /nfs/dbraw/zinc/37/97/61/1097379761.db2.gz UCJDJVDLUBKONQ-OYGLOCFBSA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206647 1097379765 /nfs/dbraw/zinc/37/97/65/1097379765.db2.gz UCJDJVDLUBKONQ-OYGLOCFBSA-N 2 2 314.473 3.403 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2OC)C1 ZINC001173277589 1097409479 /nfs/dbraw/zinc/40/94/79/1097409479.db2.gz UYFSRLFXMUMPCS-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2OC)C1 ZINC001173277589 1097409482 /nfs/dbraw/zinc/40/94/82/1097409482.db2.gz UYFSRLFXMUMPCS-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]1CC[C@@H]([N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283115 1097413110 /nfs/dbraw/zinc/41/31/10/1097413110.db2.gz SOHTZHCVWZSEEI-JKSUJKDBSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@H]1CC[C@@H]([N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283115 1097413113 /nfs/dbraw/zinc/41/31/13/1097413113.db2.gz SOHTZHCVWZSEEI-JKSUJKDBSA-N 2 2 318.509 3.462 20 0 DGADLP C[NH+](C)CC[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)c1ccccc1 ZINC001230919959 1097622194 /nfs/dbraw/zinc/62/21/94/1097622194.db2.gz HRQLATSYAWLHGE-IBGZPJMESA-N 2 2 324.424 3.439 20 0 DGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3cc[nH+]cc3C)c2c1 ZINC001174537299 1097747384 /nfs/dbraw/zinc/74/73/84/1097747384.db2.gz FSOJNRCVTZWIPF-UHFFFAOYSA-N 2 2 307.353 3.280 20 0 DGADLP Cc1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC001174651865 1097804906 /nfs/dbraw/zinc/80/49/06/1097804906.db2.gz PBWQOHYWNDHOHB-UHFFFAOYSA-N 2 2 300.362 3.298 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccnc(C(F)F)c2)CC1 ZINC001231894219 1097881506 /nfs/dbraw/zinc/88/15/06/1097881506.db2.gz TXNDXKZLKHBMSN-UHFFFAOYSA-N 2 2 318.371 3.045 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3c2cccc3OC)CC1 ZINC001231896742 1097884018 /nfs/dbraw/zinc/88/40/18/1097884018.db2.gz GDQBSAWSRITXJF-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3c2cccc3OC)CC1 ZINC001231896742 1097884024 /nfs/dbraw/zinc/88/40/24/1097884024.db2.gz GDQBSAWSRITXJF-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP COC(C)(C)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277584286 1097886453 /nfs/dbraw/zinc/88/64/53/1097886453.db2.gz DPIYCPKBHBYXNJ-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP COC(C)(C)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277584286 1097886459 /nfs/dbraw/zinc/88/64/59/1097886459.db2.gz DPIYCPKBHBYXNJ-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP COC(C)(C)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277584286 1097886464 /nfs/dbraw/zinc/88/64/64/1097886464.db2.gz DPIYCPKBHBYXNJ-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP COC(C)(C)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277584286 1097886470 /nfs/dbraw/zinc/88/64/70/1097886470.db2.gz DPIYCPKBHBYXNJ-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccc(OC(F)F)cc3)C[C@]2(C)C1 ZINC001175069091 1097922745 /nfs/dbraw/zinc/92/27/45/1097922745.db2.gz AULOJQIODGGAFX-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](Cc3ccc(OC(F)F)cc3)C[C@]2(C)C1 ZINC001175069091 1097922749 /nfs/dbraw/zinc/92/27/49/1097922749.db2.gz AULOJQIODGGAFX-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@]2(C)C1 ZINC001175069091 1097922753 /nfs/dbraw/zinc/92/27/53/1097922753.db2.gz AULOJQIODGGAFX-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@]2(C)C1 ZINC001175069091 1097922756 /nfs/dbraw/zinc/92/27/56/1097922756.db2.gz AULOJQIODGGAFX-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C[NH+]1CCC([NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)CC1 ZINC001277626816 1097961245 /nfs/dbraw/zinc/96/12/45/1097961245.db2.gz COUPQGUXDSBTIG-MOPGFXCFSA-N 3 2 305.510 3.048 20 0 DGADLP CC[N@H+](Cc1ccnc2c(F)cccc12)C1CC[NH+](C)CC1 ZINC001232208086 1097965685 /nfs/dbraw/zinc/96/56/85/1097965685.db2.gz CQIQWHLYZBXTGZ-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[N@@H+](Cc1ccnc2c(F)cccc12)C1CC[NH+](C)CC1 ZINC001232208086 1097965691 /nfs/dbraw/zinc/96/56/91/1097965691.db2.gz CQIQWHLYZBXTGZ-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)n1 ZINC001232332709 1098007559 /nfs/dbraw/zinc/00/75/59/1098007559.db2.gz HTWSKANMAYPDHZ-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)n1 ZINC001232332709 1098007565 /nfs/dbraw/zinc/00/75/65/1098007565.db2.gz HTWSKANMAYPDHZ-GOSISDBHSA-N 2 2 317.477 3.239 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(OC)cc2C)CC1 ZINC001232355649 1098012920 /nfs/dbraw/zinc/01/29/20/1098012920.db2.gz QPNITDGUHAMFAL-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(OC)cc2C)CC1 ZINC001232355649 1098012926 /nfs/dbraw/zinc/01/29/26/1098012926.db2.gz QPNITDGUHAMFAL-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccnc(Cl)c2C)C1 ZINC001232753640 1098129071 /nfs/dbraw/zinc/12/90/71/1098129071.db2.gz BHFDBTJTIXBEKN-HNNXBMFYSA-N 2 2 317.820 3.400 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2C)C1 ZINC001232753640 1098129073 /nfs/dbraw/zinc/12/90/73/1098129073.db2.gz BHFDBTJTIXBEKN-HNNXBMFYSA-N 2 2 317.820 3.400 20 0 DGADLP Nc1cc(C(F)(F)F)c(Nc2cc[nH+]c(N3CCCC3)c2)c[nH+]1 ZINC001175710828 1098158778 /nfs/dbraw/zinc/15/87/78/1098158778.db2.gz LBEIDHVKCNYOFG-UHFFFAOYSA-N 2 2 323.322 3.421 20 0 DGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1[nH]cc[nH+]1 ZINC001176082492 1098244800 /nfs/dbraw/zinc/24/48/00/1098244800.db2.gz NAHIDOPOFKYSNW-UHFFFAOYSA-N 2 2 306.167 3.180 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1CCO2 ZINC001233277598 1098271808 /nfs/dbraw/zinc/27/18/08/1098271808.db2.gz JDJRXKHROBDYQD-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1CCO2 ZINC001233277598 1098271814 /nfs/dbraw/zinc/27/18/14/1098271814.db2.gz JDJRXKHROBDYQD-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP FC1CC[NH+](C2CC[NH+](Cc3cccc4c3CCO4)CC2)CC1 ZINC001233276962 1098272184 /nfs/dbraw/zinc/27/21/84/1098272184.db2.gz HXZYDURCXGDYNL-UHFFFAOYSA-N 2 2 318.436 3.020 20 0 DGADLP COCOc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001233283134 1098274751 /nfs/dbraw/zinc/27/47/51/1098274751.db2.gz SJMOKEZITJOVNI-UHFFFAOYSA-N 2 2 318.461 3.120 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cc3cccnc3s2)CC1 ZINC001233349441 1098298670 /nfs/dbraw/zinc/29/86/70/1098298670.db2.gz SMZCWHICZHJKCC-UHFFFAOYSA-N 2 2 301.459 3.355 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cc3cccnc3s2)CC1 ZINC001233349441 1098298675 /nfs/dbraw/zinc/29/86/75/1098298675.db2.gz SMZCWHICZHJKCC-UHFFFAOYSA-N 2 2 301.459 3.355 20 0 DGADLP Cc1cc[nH+]c(C)c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176379158 1098338460 /nfs/dbraw/zinc/33/84/60/1098338460.db2.gz PVZBNCCUJWNRTF-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP c1cn(CC[NH2+][C@]23CC[C@](Nc4ccccc4)(C2)CCC3)c[nH+]1 ZINC001277790574 1098376008 /nfs/dbraw/zinc/37/60/08/1098376008.db2.gz DGWDUFWSLBBGJN-MOPGFXCFSA-N 2 2 310.445 3.430 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC001177061606 1098469618 /nfs/dbraw/zinc/46/96/18/1098469618.db2.gz RWQGIRGGPUDCSY-UHFFFAOYSA-N 2 2 320.403 3.041 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@H+](CCC(=O)OC)C2 ZINC001277865749 1098601870 /nfs/dbraw/zinc/60/18/70/1098601870.db2.gz ZWGPKLJRFPZXHK-QGZVFWFLSA-N 2 2 324.509 3.164 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CCC(=O)OC)C2 ZINC001277865749 1098601875 /nfs/dbraw/zinc/60/18/75/1098601875.db2.gz ZWGPKLJRFPZXHK-QGZVFWFLSA-N 2 2 324.509 3.164 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CC4CC3(C[NH3+])C4)ccc21 ZINC001235006970 1098748532 /nfs/dbraw/zinc/74/85/32/1098748532.db2.gz IFBLAGANGIVUKV-UHFFFAOYSA-N 2 2 305.425 3.255 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3CC4CC3(C[NH3+])C4)ccc21 ZINC001235006970 1098748545 /nfs/dbraw/zinc/74/85/45/1098748545.db2.gz IFBLAGANGIVUKV-UHFFFAOYSA-N 2 2 305.425 3.255 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1Br ZINC001235032955 1098762695 /nfs/dbraw/zinc/76/26/95/1098762695.db2.gz MZIAFWSMSASRLE-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1Br ZINC001235032955 1098762706 /nfs/dbraw/zinc/76/27/06/1098762706.db2.gz MZIAFWSMSASRLE-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(OC)cc1C ZINC001235036897 1098767824 /nfs/dbraw/zinc/76/78/24/1098767824.db2.gz CNUJXXOPLZEUBR-IBGZPJMESA-N 2 2 318.461 3.120 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(OC)cc1C ZINC001235036897 1098767837 /nfs/dbraw/zinc/76/78/37/1098767837.db2.gz CNUJXXOPLZEUBR-IBGZPJMESA-N 2 2 318.461 3.120 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036838 1098767924 /nfs/dbraw/zinc/76/79/24/1098767924.db2.gz BVJIEJKYTXMHOQ-LJQANCHMSA-N 2 2 318.461 3.202 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036838 1098767935 /nfs/dbraw/zinc/76/79/35/1098767935.db2.gz BVJIEJKYTXMHOQ-LJQANCHMSA-N 2 2 318.461 3.202 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cncs2)c(C)c1 ZINC001178276146 1098773449 /nfs/dbraw/zinc/77/34/49/1098773449.db2.gz CFISQDLHFKMUSZ-KRWDZBQOSA-N 2 2 312.442 3.488 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c(Cl)c1 ZINC001235086196 1098791842 /nfs/dbraw/zinc/79/18/42/1098791842.db2.gz ALVRIOSLPXYYFJ-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c(Cl)c1 ZINC001235086196 1098791852 /nfs/dbraw/zinc/79/18/52/1098791852.db2.gz ALVRIOSLPXYYFJ-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(OC(F)(F)F)c1 ZINC001235111796 1098813654 /nfs/dbraw/zinc/81/36/54/1098813654.db2.gz VTSKKKJOQWXOBC-UHFFFAOYSA-N 2 2 314.351 3.222 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c2ccccc12 ZINC001235114523 1098815122 /nfs/dbraw/zinc/81/51/22/1098815122.db2.gz MFOWEXSHAPYORM-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c2ccccc12 ZINC001235114523 1098815137 /nfs/dbraw/zinc/81/51/37/1098815137.db2.gz MFOWEXSHAPYORM-FQEVSTJZSA-N 2 2 310.441 3.103 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115286 1098816584 /nfs/dbraw/zinc/81/65/84/1098816584.db2.gz PYMPNALIAHJJFU-DYESRHJHSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115286 1098816588 /nfs/dbraw/zinc/81/65/88/1098816588.db2.gz PYMPNALIAHJJFU-DYESRHJHSA-N 2 2 324.468 3.398 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235116727 1098819167 /nfs/dbraw/zinc/81/91/67/1098819167.db2.gz YQYIWQMASZMPIS-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235116727 1098819183 /nfs/dbraw/zinc/81/91/83/1098819183.db2.gz YQYIWQMASZMPIS-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001235151824 1098837923 /nfs/dbraw/zinc/83/79/23/1098837923.db2.gz BSJXMQHYDQVKQN-HXUWFJFHSA-N 3 2 324.472 3.226 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001235151824 1098837931 /nfs/dbraw/zinc/83/79/31/1098837931.db2.gz BSJXMQHYDQVKQN-HXUWFJFHSA-N 3 2 324.472 3.226 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235175868 1098857392 /nfs/dbraw/zinc/85/73/92/1098857392.db2.gz UEWSZXCZHMVTAF-FXAWDEMLSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235175868 1098857403 /nfs/dbraw/zinc/85/74/03/1098857403.db2.gz UEWSZXCZHMVTAF-FXAWDEMLSA-N 2 2 308.425 3.285 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001206338306 1098897769 /nfs/dbraw/zinc/89/77/69/1098897769.db2.gz ZBEBWTLKKUWZHC-OAHLLOKOSA-N 2 2 318.358 3.401 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001206338306 1098897781 /nfs/dbraw/zinc/89/77/81/1098897781.db2.gz ZBEBWTLKKUWZHC-OAHLLOKOSA-N 2 2 318.358 3.401 20 0 DGADLP C[C@H](C[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235238261 1098912206 /nfs/dbraw/zinc/91/22/06/1098912206.db2.gz CHBZABLUATXZFB-XPGWFJOJSA-N 2 2 310.441 3.006 20 0 DGADLP C[C@H](C[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235238261 1098912216 /nfs/dbraw/zinc/91/22/16/1098912216.db2.gz CHBZABLUATXZFB-XPGWFJOJSA-N 2 2 310.441 3.006 20 0 DGADLP Cc1c[nH]c(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1C ZINC001235250741 1098923258 /nfs/dbraw/zinc/92/32/58/1098923258.db2.gz JOYLJEVTUNRGBW-UYAOXDASSA-N 2 2 309.457 3.353 20 0 DGADLP Cc1c[nH]c(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1C ZINC001235250741 1098923264 /nfs/dbraw/zinc/92/32/64/1098923264.db2.gz JOYLJEVTUNRGBW-UYAOXDASSA-N 2 2 309.457 3.353 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(C)c1 ZINC001235252697 1098924155 /nfs/dbraw/zinc/92/41/55/1098924155.db2.gz BTTROISAMPDUGU-TZIWHRDSSA-N 2 2 321.468 3.420 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(C)c1 ZINC001235252697 1098924159 /nfs/dbraw/zinc/92/41/59/1098924159.db2.gz BTTROISAMPDUGU-TZIWHRDSSA-N 2 2 321.468 3.420 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)s2)cc1 ZINC001235255307 1098927279 /nfs/dbraw/zinc/92/72/79/1098927279.db2.gz DFAJTRVCKSEEGF-YOEHRIQHSA-N 2 2 314.454 3.217 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)s2)cc1 ZINC001235255307 1098927287 /nfs/dbraw/zinc/92/72/87/1098927287.db2.gz DFAJTRVCKSEEGF-YOEHRIQHSA-N 2 2 314.454 3.217 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235257822 1098929723 /nfs/dbraw/zinc/92/97/23/1098929723.db2.gz JJGZAVMJAQCBBC-AZUAARDMSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235257822 1098929724 /nfs/dbraw/zinc/92/97/24/1098929724.db2.gz JJGZAVMJAQCBBC-AZUAARDMSA-N 2 2 308.425 3.156 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)ccc1OCc1ccccc1 ZINC001235256965 1098929935 /nfs/dbraw/zinc/92/99/35/1098929935.db2.gz HRDJHZFGRUAAOJ-UXHICEINSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)ccc1OCc1ccccc1 ZINC001235256965 1098929941 /nfs/dbraw/zinc/92/99/41/1098929941.db2.gz HRDJHZFGRUAAOJ-UXHICEINSA-N 2 2 322.452 3.368 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235264426 1098934971 /nfs/dbraw/zinc/93/49/71/1098934971.db2.gz XSGDMFGJCYSQTK-VQIMIIECSA-N 2 2 310.441 3.421 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235264426 1098934977 /nfs/dbraw/zinc/93/49/77/1098934977.db2.gz XSGDMFGJCYSQTK-VQIMIIECSA-N 2 2 310.441 3.421 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2cc(F)c(F)c(F)c2F)CC1 ZINC001235351269 1098972520 /nfs/dbraw/zinc/97/25/20/1098972520.db2.gz ZHMLHAZKMLDHIW-UHFFFAOYSA-N 2 2 304.331 3.017 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+](C)[C@H]3CCC[NH2+]C3)c2c1 ZINC001235350872 1098973399 /nfs/dbraw/zinc/97/33/99/1098973399.db2.gz VGVGLWNJYJIKNX-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+](C)[C@H]3CCC[NH2+]C3)c2c1 ZINC001235350872 1098973408 /nfs/dbraw/zinc/97/34/08/1098973408.db2.gz VGVGLWNJYJIKNX-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(O)cc(OCC)c2)CC1 ZINC001235399905 1098995254 /nfs/dbraw/zinc/99/52/54/1098995254.db2.gz CZJCSHXCJOHGOY-UHFFFAOYSA-N 2 2 320.477 3.487 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(OCC)c2)CC1 ZINC001235399905 1098995264 /nfs/dbraw/zinc/99/52/64/1098995264.db2.gz CZJCSHXCJOHGOY-UHFFFAOYSA-N 2 2 320.477 3.487 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001179044335 1099000377 /nfs/dbraw/zinc/00/03/77/1099000377.db2.gz AZQCCQVPLHUTQC-ROUUACIJSA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001179044335 1099000389 /nfs/dbraw/zinc/00/03/89/1099000389.db2.gz AZQCCQVPLHUTQC-ROUUACIJSA-N 2 2 306.425 3.331 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404727 1099001957 /nfs/dbraw/zinc/00/19/57/1099001957.db2.gz NZWKPSFMVBXNPP-DOTOQJQBSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c(Cl)[nH]c3ccccc31)C2 ZINC001235404727 1099001966 /nfs/dbraw/zinc/00/19/66/1099001966.db2.gz NZWKPSFMVBXNPP-DOTOQJQBSA-N 2 2 321.827 3.345 20 0 DGADLP COc1cncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001235472952 1099056178 /nfs/dbraw/zinc/05/61/78/1099056178.db2.gz GYFLVKCASNZQQS-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP COc1cncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001235472952 1099056190 /nfs/dbraw/zinc/05/61/90/1099056190.db2.gz GYFLVKCASNZQQS-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(c2cccs2)CC1 ZINC001235691025 1099130209 /nfs/dbraw/zinc/13/02/09/1099130209.db2.gz GLRJJEQTJKZXBQ-QGZVFWFLSA-N 2 2 300.471 3.498 20 0 DGADLP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)cc(C)c1Br ZINC001235748315 1099163365 /nfs/dbraw/zinc/16/33/65/1099163365.db2.gz KRVYKGGJVLNDOS-UHFFFAOYSA-N 2 2 311.267 3.379 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+](CC)C2CC[NH2+]CC2)c1F ZINC001235759864 1099169132 /nfs/dbraw/zinc/16/91/32/1099169132.db2.gz CNWFBFJJMUQGJE-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+](CC)C2CC[NH2+]CC2)c1F ZINC001235759864 1099169138 /nfs/dbraw/zinc/16/91/38/1099169138.db2.gz CNWFBFJJMUQGJE-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP CCc1[nH]c(CN2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC001235788174 1099178957 /nfs/dbraw/zinc/17/89/57/1099178957.db2.gz IPRBWMOTSNXGBG-INIZCTEOSA-N 2 2 318.852 3.080 20 0 DGADLP CC(C)CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705773 1099179361 /nfs/dbraw/zinc/17/93/61/1099179361.db2.gz NHEMWXPYUKSMRU-KRWDZBQOSA-N 2 2 322.497 3.147 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)O1 ZINC001235793382 1099184433 /nfs/dbraw/zinc/18/44/33/1099184433.db2.gz GLHCGVLKLXCVAB-ICSRJNTNSA-N 2 2 322.452 3.359 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)O1 ZINC001235793382 1099184436 /nfs/dbraw/zinc/18/44/36/1099184436.db2.gz GLHCGVLKLXCVAB-ICSRJNTNSA-N 2 2 322.452 3.359 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1Cl ZINC001179816530 1099212819 /nfs/dbraw/zinc/21/28/19/1099212819.db2.gz MEDNWOUQLBOJRV-CWRNSKLLSA-N 2 2 324.900 3.075 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1Cl ZINC001179816530 1099212822 /nfs/dbraw/zinc/21/28/22/1099212822.db2.gz MEDNWOUQLBOJRV-CWRNSKLLSA-N 2 2 324.900 3.075 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cc(O)cc(Cl)c3)c2)C1 ZINC001235903938 1099245581 /nfs/dbraw/zinc/24/55/81/1099245581.db2.gz HMIAHLKYOFVXAG-MRXNPFEDSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cc(O)cc(Cl)c3)c2)C1 ZINC001235903938 1099245587 /nfs/dbraw/zinc/24/55/87/1099245587.db2.gz HMIAHLKYOFVXAG-MRXNPFEDSA-N 2 2 302.805 3.246 20 0 DGADLP COc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235925057 1099261757 /nfs/dbraw/zinc/26/17/57/1099261757.db2.gz HOULLKCMXZZKKC-NSHDSACASA-N 2 2 303.233 3.315 20 0 DGADLP COc1c(Cl)cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235925057 1099261765 /nfs/dbraw/zinc/26/17/65/1099261765.db2.gz HOULLKCMXZZKKC-NSHDSACASA-N 2 2 303.233 3.315 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cccc2Br)[nH]1 ZINC001235926290 1099263695 /nfs/dbraw/zinc/26/36/95/1099263695.db2.gz WPLLNZXSSGHECP-LBPRGKRZSA-N 2 2 322.250 3.244 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc2c(cccc2Br)[nH]1 ZINC001235926290 1099263701 /nfs/dbraw/zinc/26/37/01/1099263701.db2.gz WPLLNZXSSGHECP-LBPRGKRZSA-N 2 2 322.250 3.244 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959604 1099292727 /nfs/dbraw/zinc/29/27/27/1099292727.db2.gz LDHHHKNBHNZDHW-MIFYACCESA-N 2 2 323.278 3.181 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959604 1099292732 /nfs/dbraw/zinc/29/27/32/1099292732.db2.gz LDHHHKNBHNZDHW-MIFYACCESA-N 2 2 323.278 3.181 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997829 1099320998 /nfs/dbraw/zinc/32/09/98/1099320998.db2.gz ZPKSSZRKEVQTHU-PXNSSMCTSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997829 1099321010 /nfs/dbraw/zinc/32/10/10/1099321010.db2.gz ZPKSSZRKEVQTHU-PXNSSMCTSA-N 2 2 308.425 3.285 20 0 DGADLP Fc1ccc(Cl)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1F ZINC001236008302 1099330949 /nfs/dbraw/zinc/33/09/49/1099330949.db2.gz AWFKKODTSLUALB-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1C)[C@H]1CCC[NH2+]C1 ZINC001236010414 1099332719 /nfs/dbraw/zinc/33/27/19/1099332719.db2.gz RHZOMWCLEWZYHK-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1C)[C@H]1CCC[NH2+]C1 ZINC001236010414 1099332729 /nfs/dbraw/zinc/33/27/29/1099332729.db2.gz RHZOMWCLEWZYHK-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP C[NH2+]CC[N@@H+]1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001236066098 1099365224 /nfs/dbraw/zinc/36/52/24/1099365224.db2.gz DYWFTQRQHKNRPA-FQEVSTJZSA-N 2 2 324.468 3.260 20 0 DGADLP C[NH2+]CC[N@H+]1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001236066098 1099365235 /nfs/dbraw/zinc/36/52/35/1099365235.db2.gz DYWFTQRQHKNRPA-FQEVSTJZSA-N 2 2 324.468 3.260 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072767 1099370342 /nfs/dbraw/zinc/37/03/42/1099370342.db2.gz WWKJCMYYDDWGBR-IINYFYTJSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072767 1099370354 /nfs/dbraw/zinc/37/03/54/1099370354.db2.gz WWKJCMYYDDWGBR-IINYFYTJSA-N 2 2 300.780 3.146 20 0 DGADLP COc1ccc([C@@H]2CC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001236096362 1099386153 /nfs/dbraw/zinc/38/61/53/1099386153.db2.gz AJBNQHMCNFSIGY-RTBURBONSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccc([C@@H]2CC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001236096362 1099386164 /nfs/dbraw/zinc/38/61/64/1099386164.db2.gz AJBNQHMCNFSIGY-RTBURBONSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)c2c1 ZINC001236100978 1099390211 /nfs/dbraw/zinc/39/02/11/1099390211.db2.gz RHEIAVNKGJZIED-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[NH2+][C@@H](C)C3)c2c1 ZINC001236100978 1099390224 /nfs/dbraw/zinc/39/02/24/1099390224.db2.gz RHEIAVNKGJZIED-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP CCC[N@H+](Cc1cc(OC)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001236182321 1099452215 /nfs/dbraw/zinc/45/22/15/1099452215.db2.gz KQXLDHGUQFMOTK-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP CCC[N@@H+](Cc1cc(OC)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001236182321 1099452224 /nfs/dbraw/zinc/45/22/24/1099452224.db2.gz KQXLDHGUQFMOTK-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc(OC(F)(F)F)c1 ZINC001236204795 1099460709 /nfs/dbraw/zinc/46/07/09/1099460709.db2.gz CDLDROJBJKCLDY-HNNXBMFYSA-N 2 2 316.367 3.468 20 0 DGADLP Cc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc(OC(F)(F)F)c1 ZINC001236204795 1099460717 /nfs/dbraw/zinc/46/07/17/1099460717.db2.gz CDLDROJBJKCLDY-HNNXBMFYSA-N 2 2 316.367 3.468 20 0 DGADLP C[N@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216370 1099472177 /nfs/dbraw/zinc/47/21/77/1099472177.db2.gz JUSVAMVUBZJOSL-ROUUACIJSA-N 2 2 305.441 3.128 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216370 1099472182 /nfs/dbraw/zinc/47/21/82/1099472182.db2.gz JUSVAMVUBZJOSL-ROUUACIJSA-N 2 2 305.441 3.128 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218303 1099475359 /nfs/dbraw/zinc/47/53/59/1099475359.db2.gz RXBICRHJOIAJPL-MOPGFXCFSA-N 3 2 313.489 3.390 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218303 1099475367 /nfs/dbraw/zinc/47/53/67/1099475367.db2.gz RXBICRHJOIAJPL-MOPGFXCFSA-N 3 2 313.489 3.390 20 0 DGADLP C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218798 1099476364 /nfs/dbraw/zinc/47/63/64/1099476364.db2.gz UCXDUMQVJZMCKH-OLZOCXBDSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218798 1099476369 /nfs/dbraw/zinc/47/63/69/1099476369.db2.gz UCXDUMQVJZMCKH-OLZOCXBDSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220868 1099478454 /nfs/dbraw/zinc/47/84/54/1099478454.db2.gz ZXVFQOCHZLUQHM-DLBZAZTESA-N 2 2 318.461 3.344 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220868 1099478460 /nfs/dbraw/zinc/47/84/60/1099478460.db2.gz ZXVFQOCHZLUQHM-DLBZAZTESA-N 2 2 318.461 3.344 20 0 DGADLP C[N@H+](Cc1c(F)cccc1C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236221676 1099479626 /nfs/dbraw/zinc/47/96/26/1099479626.db2.gz DKFKCBQIQVSFFX-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@@H+](Cc1c(F)cccc1C(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236221676 1099479631 /nfs/dbraw/zinc/47/96/31/1099479631.db2.gz DKFKCBQIQVSFFX-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP c1cn2cc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001236269445 1099509729 /nfs/dbraw/zinc/50/97/29/1099509729.db2.gz GZTRCHFTSPJRAF-LJQANCHMSA-N 2 2 320.440 3.089 20 0 DGADLP CCC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236322723 1099536209 /nfs/dbraw/zinc/53/62/09/1099536209.db2.gz ASGNMSPLAPCKQU-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP CCC[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236322723 1099536218 /nfs/dbraw/zinc/53/62/18/1099536218.db2.gz ASGNMSPLAPCKQU-KRWDZBQOSA-N 2 2 302.462 3.364 20 0 DGADLP CCC[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236323318 1099537779 /nfs/dbraw/zinc/53/77/79/1099537779.db2.gz DLQIMRSVSPXAEZ-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@H]1CC[NH2+]C1 ZINC001236323318 1099537790 /nfs/dbraw/zinc/53/77/90/1099537790.db2.gz DLQIMRSVSPXAEZ-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP COCC[N@H+](CCC(C)(C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236329033 1099540502 /nfs/dbraw/zinc/54/05/02/1099540502.db2.gz RGBUNODRURXKQB-SFHVURJKSA-N 2 2 304.478 3.055 20 0 DGADLP COCC[N@@H+](CCC(C)(C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236329033 1099540508 /nfs/dbraw/zinc/54/05/08/1099540508.db2.gz RGBUNODRURXKQB-SFHVURJKSA-N 2 2 304.478 3.055 20 0 DGADLP COCC[N@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001236330928 1099542605 /nfs/dbraw/zinc/54/26/05/1099542605.db2.gz OOCSCNGFBLXPNQ-OAHLLOKOSA-N 2 2 304.459 3.102 20 0 DGADLP COCC[N@@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001236330928 1099542615 /nfs/dbraw/zinc/54/26/15/1099542615.db2.gz OOCSCNGFBLXPNQ-OAHLLOKOSA-N 2 2 304.459 3.102 20 0 DGADLP Nc1cccc(C[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)c1 ZINC001236371659 1099558408 /nfs/dbraw/zinc/55/84/08/1099558408.db2.gz WQPSHILGGCJRBE-UHFFFAOYSA-N 2 2 313.420 3.162 20 0 DGADLP Nc1cccc(C[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)c1 ZINC001236371659 1099558417 /nfs/dbraw/zinc/55/84/17/1099558417.db2.gz WQPSHILGGCJRBE-UHFFFAOYSA-N 2 2 313.420 3.162 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236407819 1099582684 /nfs/dbraw/zinc/58/26/84/1099582684.db2.gz HZXPYVUFZPPZMK-SNVBAGLBSA-N 2 2 322.321 3.415 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236407819 1099582692 /nfs/dbraw/zinc/58/26/92/1099582692.db2.gz HZXPYVUFZPPZMK-SNVBAGLBSA-N 2 2 322.321 3.415 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(OCc2ccccc2)c1 ZINC001236410628 1099583335 /nfs/dbraw/zinc/58/33/35/1099583335.db2.gz CSNKKKYUSHUXHM-KXTWHKPSSA-N 2 2 322.452 3.224 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(OCc2ccccc2)c1 ZINC001236410628 1099583343 /nfs/dbraw/zinc/58/33/43/1099583343.db2.gz CSNKKKYUSHUXHM-KXTWHKPSSA-N 2 2 322.452 3.224 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236420521 1099595763 /nfs/dbraw/zinc/59/57/63/1099595763.db2.gz NCXOEKZNMSTBDK-RISCZKNCSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236420521 1099595772 /nfs/dbraw/zinc/59/57/72/1099595772.db2.gz NCXOEKZNMSTBDK-RISCZKNCSA-N 2 2 302.340 3.205 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](C[C@H]([NH3+])Cc1ccccc1)CCC2 ZINC001236433373 1099608856 /nfs/dbraw/zinc/60/88/56/1099608856.db2.gz HKCORUAVPWKDNP-LJQANCHMSA-N 2 2 310.441 3.013 20 0 DGADLP COc1ccc2c(c1)C[N@H+](C[C@H]([NH3+])Cc1ccccc1)CCC2 ZINC001236433373 1099608863 /nfs/dbraw/zinc/60/88/63/1099608863.db2.gz HKCORUAVPWKDNP-LJQANCHMSA-N 2 2 310.441 3.013 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434931 1099610274 /nfs/dbraw/zinc/61/02/74/1099610274.db2.gz YFZLPKGOBYNLFQ-GXTWGEPZSA-N 2 2 302.340 3.459 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434931 1099610278 /nfs/dbraw/zinc/61/02/78/1099610278.db2.gz YFZLPKGOBYNLFQ-GXTWGEPZSA-N 2 2 302.340 3.459 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@](F)(C[NH3+])C3)cc2)cc1 ZINC001236434547 1099610909 /nfs/dbraw/zinc/61/09/09/1099610909.db2.gz MNEKSLZTAONEFG-IBGZPJMESA-N 2 2 314.404 3.235 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@](F)(C[NH3+])C3)cc2)cc1 ZINC001236434547 1099610911 /nfs/dbraw/zinc/61/09/11/1099610911.db2.gz MNEKSLZTAONEFG-IBGZPJMESA-N 2 2 314.404 3.235 20 0 DGADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c2c[nH]nc21 ZINC001236503534 1099650063 /nfs/dbraw/zinc/65/00/63/1099650063.db2.gz RPZPBVWYGAWQRA-HNNXBMFYSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c2c[nH]nc21 ZINC001236503534 1099650067 /nfs/dbraw/zinc/65/00/67/1099650067.db2.gz RPZPBVWYGAWQRA-HNNXBMFYSA-N 2 2 306.413 3.071 20 0 DGADLP CC(C)[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236528938 1099663153 /nfs/dbraw/zinc/66/31/53/1099663153.db2.gz LKRMUIIMBOSEDN-OAHLLOKOSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236528938 1099663156 /nfs/dbraw/zinc/66/31/56/1099663156.db2.gz LKRMUIIMBOSEDN-OAHLLOKOSA-N 2 2 303.837 3.461 20 0 DGADLP Clc1ccc2n[nH]c(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c2c1 ZINC001236598268 1099695665 /nfs/dbraw/zinc/69/56/65/1099695665.db2.gz JSLNQGCUMAQDAK-LBPRGKRZSA-N 2 2 318.852 3.180 20 0 DGADLP Clc1ccc2n[nH]c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c2c1 ZINC001236598268 1099695669 /nfs/dbraw/zinc/69/56/69/1099695669.db2.gz JSLNQGCUMAQDAK-LBPRGKRZSA-N 2 2 318.852 3.180 20 0 DGADLP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599094 1099695804 /nfs/dbraw/zinc/69/58/04/1099695804.db2.gz PMONATBZQDXIEE-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599094 1099695807 /nfs/dbraw/zinc/69/58/07/1099695807.db2.gz PMONATBZQDXIEE-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP COCC[N@H+](Cc1cccc2sccc21)C1CC[NH+](C)CC1 ZINC001236679754 1099738939 /nfs/dbraw/zinc/73/89/39/1099738939.db2.gz OVSVEZACSXZXQU-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP COCC[N@@H+](Cc1cccc2sccc21)C1CC[NH+](C)CC1 ZINC001236679754 1099738946 /nfs/dbraw/zinc/73/89/46/1099738946.db2.gz OVSVEZACSXZXQU-UHFFFAOYSA-N 2 2 318.486 3.444 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C[C@H]2CCCC[NH2+]2)CC1 ZINC001236754526 1099771484 /nfs/dbraw/zinc/77/14/84/1099771484.db2.gz HGCZOBDYGAJMJI-GUDVDZBRSA-N 3 2 307.526 3.281 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@H]2CCCC[NH2+]2)CC1 ZINC001236754526 1099771491 /nfs/dbraw/zinc/77/14/91/1099771491.db2.gz HGCZOBDYGAJMJI-GUDVDZBRSA-N 3 2 307.526 3.281 20 0 DGADLP CCC[N@@H+](Cc1sccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236835595 1099819677 /nfs/dbraw/zinc/81/96/77/1099819677.db2.gz NTARVUNIZMPVNH-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@H+](Cc1sccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236835595 1099819685 /nfs/dbraw/zinc/81/96/85/1099819685.db2.gz NTARVUNIZMPVNH-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)c(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843027 1099828577 /nfs/dbraw/zinc/82/85/77/1099828577.db2.gz KHWQKXWQWQENSC-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)c(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236843027 1099828592 /nfs/dbraw/zinc/82/85/92/1099828592.db2.gz KHWQKXWQWQENSC-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP Clc1cc(C[NH+]2CCC3(COC3)CC2)ccc1-n1cc[nH+]c1 ZINC001236904390 1099866554 /nfs/dbraw/zinc/86/65/54/1099866554.db2.gz UKESWFNVTFTLEX-UHFFFAOYSA-N 2 2 317.820 3.138 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1O ZINC001236908920 1099871025 /nfs/dbraw/zinc/87/10/25/1099871025.db2.gz UMTVLHBYCLGKBG-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1O ZINC001236908920 1099871034 /nfs/dbraw/zinc/87/10/34/1099871034.db2.gz UMTVLHBYCLGKBG-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP COC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236913258 1099873211 /nfs/dbraw/zinc/87/32/11/1099873211.db2.gz JSJYKQUFHZLYNG-HNNXBMFYSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@]1(O)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236912671 1099873495 /nfs/dbraw/zinc/87/34/95/1099873495.db2.gz DKEUBRVAZBWMIO-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236912671 1099873501 /nfs/dbraw/zinc/87/35/01/1099873501.db2.gz DKEUBRVAZBWMIO-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236918074 1099876300 /nfs/dbraw/zinc/87/63/00/1099876300.db2.gz WYEWCOSQWDTXSN-CQSZACIVSA-N 2 2 317.820 3.327 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236918074 1099876308 /nfs/dbraw/zinc/87/63/08/1099876308.db2.gz WYEWCOSQWDTXSN-CQSZACIVSA-N 2 2 317.820 3.327 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@H]1CC[NH2+]C1 ZINC001236945955 1099885064 /nfs/dbraw/zinc/88/50/64/1099885064.db2.gz IUYHZSGBRPNPTH-OAHLLOKOSA-N 2 2 321.852 3.022 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@H]1CC[NH2+]C1 ZINC001236945955 1099885072 /nfs/dbraw/zinc/88/50/72/1099885072.db2.gz IUYHZSGBRPNPTH-OAHLLOKOSA-N 2 2 321.852 3.022 20 0 DGADLP CCCC[C@@H](CC)C[N@H+](C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001237037132 1099937585 /nfs/dbraw/zinc/93/75/85/1099937585.db2.gz GFPDDSNZZLSAME-QGZVFWFLSA-N 3 2 309.542 3.351 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+](C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001237037132 1099937598 /nfs/dbraw/zinc/93/75/98/1099937598.db2.gz GFPDDSNZZLSAME-QGZVFWFLSA-N 3 2 309.542 3.351 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001237058692 1099949740 /nfs/dbraw/zinc/94/97/40/1099949740.db2.gz RHEBKXHHMOMQBN-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001237058692 1099949748 /nfs/dbraw/zinc/94/97/48/1099949748.db2.gz RHEBKXHHMOMQBN-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP Cc1csc2sc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c(C)c12 ZINC001237144538 1099997283 /nfs/dbraw/zinc/99/72/83/1099997283.db2.gz VSNNQGKDMQYYMH-INIZCTEOSA-N 2 2 322.499 3.144 20 0 DGADLP Cc1csc2sc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c(C)c12 ZINC001237144538 1099997292 /nfs/dbraw/zinc/99/72/92/1099997292.db2.gz VSNNQGKDMQYYMH-INIZCTEOSA-N 2 2 322.499 3.144 20 0 DGADLP Fc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001237161851 1100011196 /nfs/dbraw/zinc/01/11/96/1100011196.db2.gz RIONSYOYJDVMTH-OAHLLOKOSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001237161851 1100011203 /nfs/dbraw/zinc/01/12/03/1100011203.db2.gz RIONSYOYJDVMTH-OAHLLOKOSA-N 2 2 301.409 3.414 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)CC12COC2 ZINC001237175309 1100015070 /nfs/dbraw/zinc/01/50/70/1100015070.db2.gz IEHDIFISOMSAEO-QGZVFWFLSA-N 2 2 324.449 3.214 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3c4ccccc4sc32)CC12COC2 ZINC001237175309 1100015082 /nfs/dbraw/zinc/01/50/82/1100015082.db2.gz IEHDIFISOMSAEO-QGZVFWFLSA-N 2 2 324.449 3.214 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC001237205348 1100031549 /nfs/dbraw/zinc/03/15/49/1100031549.db2.gz SRXAFCFOLOXRSL-HNNXBMFYSA-N 2 2 309.251 3.276 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC001237205348 1100031554 /nfs/dbraw/zinc/03/15/54/1100031554.db2.gz SRXAFCFOLOXRSL-HNNXBMFYSA-N 2 2 309.251 3.276 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203932 1100032075 /nfs/dbraw/zinc/03/20/75/1100032075.db2.gz OFOLBAVBJGUCLR-APWZRJJASA-N 2 2 310.441 3.496 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203932 1100032085 /nfs/dbraw/zinc/03/20/85/1100032085.db2.gz OFOLBAVBJGUCLR-APWZRJJASA-N 2 2 310.441 3.496 20 0 DGADLP Oc1cc(F)cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001237276443 1100057262 /nfs/dbraw/zinc/05/72/62/1100057262.db2.gz CZDXKOQUMIOLSD-KRWDZBQOSA-N 2 2 306.425 3.372 20 0 DGADLP Oc1cc(F)cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001237276443 1100057269 /nfs/dbraw/zinc/05/72/69/1100057269.db2.gz CZDXKOQUMIOLSD-KRWDZBQOSA-N 2 2 306.425 3.372 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@H]2C1 ZINC001237282214 1100058900 /nfs/dbraw/zinc/05/89/00/1100058900.db2.gz LMGZSOBXIMKQRA-ZIAGYGMSSA-N 2 2 310.388 3.016 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351891 1100088716 /nfs/dbraw/zinc/08/87/16/1100088716.db2.gz GLFJTHHBFQFRIJ-MAUKXSAKSA-N 2 2 322.880 3.109 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351891 1100088722 /nfs/dbraw/zinc/08/87/22/1100088722.db2.gz GLFJTHHBFQFRIJ-MAUKXSAKSA-N 2 2 322.880 3.109 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351891 1100088733 /nfs/dbraw/zinc/08/87/33/1100088733.db2.gz GLFJTHHBFQFRIJ-MAUKXSAKSA-N 2 2 322.880 3.109 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)cc(Cl)cc3C)C[C@@H]2C1 ZINC001237351891 1100088745 /nfs/dbraw/zinc/08/87/45/1100088745.db2.gz GLFJTHHBFQFRIJ-MAUKXSAKSA-N 2 2 322.880 3.109 20 0 DGADLP COc1cccc(CC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001237360206 1100094792 /nfs/dbraw/zinc/09/47/92/1100094792.db2.gz VIISHBQZTXBUPM-UHFFFAOYSA-N 2 2 322.452 3.332 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237389917 1100104965 /nfs/dbraw/zinc/10/49/65/1100104965.db2.gz HMFLOZACUVCNAA-NVXWUHKLSA-N 2 2 313.470 3.384 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237389917 1100104967 /nfs/dbraw/zinc/10/49/67/1100104967.db2.gz HMFLOZACUVCNAA-NVXWUHKLSA-N 2 2 313.470 3.384 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1OCC ZINC001237390995 1100106338 /nfs/dbraw/zinc/10/63/38/1100106338.db2.gz JMLNJQYRYVIRTR-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1OCC ZINC001237390995 1100106344 /nfs/dbraw/zinc/10/63/44/1100106344.db2.gz JMLNJQYRYVIRTR-IRXDYDNUSA-N 2 2 318.461 3.058 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(F)F ZINC001237415699 1100119169 /nfs/dbraw/zinc/11/91/69/1100119169.db2.gz QTJBJHOEPGWGQI-TZMCWYRMSA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(F)F ZINC001237415699 1100119172 /nfs/dbraw/zinc/11/91/72/1100119172.db2.gz QTJBJHOEPGWGQI-TZMCWYRMSA-N 2 2 314.351 3.001 20 0 DGADLP CC[N@H+](Cc1cccc(-c2ccccn2)n1)C1CC[NH+](C)CC1 ZINC001237832554 1100263357 /nfs/dbraw/zinc/26/33/57/1100263357.db2.gz QTELYTLEOVDFLN-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](Cc1cccc(-c2ccccn2)n1)C1CC[NH+](C)CC1 ZINC001237832554 1100263362 /nfs/dbraw/zinc/26/33/62/1100263362.db2.gz QTELYTLEOVDFLN-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001238115027 1100366597 /nfs/dbraw/zinc/36/65/97/1100366597.db2.gz ZHJIKSVANANAFM-LJQANCHMSA-N 2 2 307.397 3.125 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001238115027 1100366603 /nfs/dbraw/zinc/36/66/03/1100366603.db2.gz ZHJIKSVANANAFM-LJQANCHMSA-N 2 2 307.397 3.125 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)cc1Br ZINC001238281766 1100409377 /nfs/dbraw/zinc/40/93/77/1100409377.db2.gz NUKUDNDNGPSNCS-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)cc1Br ZINC001238281766 1100409381 /nfs/dbraw/zinc/40/93/81/1100409381.db2.gz NUKUDNDNGPSNCS-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)cc1Br ZINC001238281766 1100409385 /nfs/dbraw/zinc/40/93/85/1100409385.db2.gz NUKUDNDNGPSNCS-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)cc1Br ZINC001238281766 1100409386 /nfs/dbraw/zinc/40/93/86/1100409386.db2.gz NUKUDNDNGPSNCS-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Fc1ncc(-c2ccccc2)cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001238661247 1100494550 /nfs/dbraw/zinc/49/45/50/1100494550.db2.gz BBFDVBBTDUZUOP-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP Fc1ncc(-c2ccccc2)cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001238661247 1100494554 /nfs/dbraw/zinc/49/45/54/1100494554.db2.gz BBFDVBBTDUZUOP-UHFFFAOYSA-N 2 2 322.387 3.143 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001238717209 1100511912 /nfs/dbraw/zinc/51/19/12/1100511912.db2.gz ANRZXBUHWHAFOJ-INIZCTEOSA-N 2 2 315.442 3.160 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001238717209 1100511919 /nfs/dbraw/zinc/51/19/19/1100511919.db2.gz ANRZXBUHWHAFOJ-INIZCTEOSA-N 2 2 315.442 3.160 20 0 DGADLP CC[NH+](CC)CCn1cc(-c2cccc(-c3c[nH+]cn3C)c2)cn1 ZINC001239215495 1100600939 /nfs/dbraw/zinc/60/09/39/1100600939.db2.gz VYFYAIGMSCGAQU-UHFFFAOYSA-N 2 2 323.444 3.292 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cncc3ccccc32)C1 ZINC001239948894 1100809148 /nfs/dbraw/zinc/80/91/48/1100809148.db2.gz KALQMBACLFHEAC-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cncc3ccccc32)C1 ZINC001239948894 1100809152 /nfs/dbraw/zinc/80/91/52/1100809152.db2.gz KALQMBACLFHEAC-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(-n3cccn3)c2)C1 ZINC001240249959 1100910688 /nfs/dbraw/zinc/91/06/88/1100910688.db2.gz DAPTVHUGMRKNOX-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(-n3cccn3)c2)C1 ZINC001240249959 1100910695 /nfs/dbraw/zinc/91/06/95/1100910695.db2.gz DAPTVHUGMRKNOX-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)C1 ZINC001240272646 1100919225 /nfs/dbraw/zinc/91/92/25/1100919225.db2.gz VZAAKRNHDMSMJU-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)C1 ZINC001240272646 1100919226 /nfs/dbraw/zinc/91/92/26/1100919226.db2.gz VZAAKRNHDMSMJU-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccnc(C(F)(F)F)c3)cc2)C1 ZINC001240341331 1100948028 /nfs/dbraw/zinc/94/80/28/1100948028.db2.gz LVARGALMBATFGR-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccnc(C(F)(F)F)c3)cc2)C1 ZINC001240341331 1100948037 /nfs/dbraw/zinc/94/80/37/1100948037.db2.gz LVARGALMBATFGR-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4ncsc4c3)c2)C1 ZINC001240345813 1100950131 /nfs/dbraw/zinc/95/01/31/1100950131.db2.gz UGRSSQQRFNGJSH-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4ncsc4c3)c2)C1 ZINC001240345813 1100950134 /nfs/dbraw/zinc/95/01/34/1100950134.db2.gz UGRSSQQRFNGJSH-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000079720883 1101053889 /nfs/dbraw/zinc/05/38/89/1101053889.db2.gz ZWUBJABBVRVKIL-INIZCTEOSA-N 2 2 305.397 3.235 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(c2)CCCO3)C1 ZINC001240774884 1101132689 /nfs/dbraw/zinc/13/26/89/1101132689.db2.gz MPYNGWYSLGRVIA-SFHVURJKSA-N 2 2 308.425 3.212 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(c2)CCCO3)C1 ZINC001240774884 1101132693 /nfs/dbraw/zinc/13/26/93/1101132693.db2.gz MPYNGWYSLGRVIA-SFHVURJKSA-N 2 2 308.425 3.212 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001240956626 1101195668 /nfs/dbraw/zinc/19/56/68/1101195668.db2.gz FAEKFLZPFGMZHN-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001240956626 1101195673 /nfs/dbraw/zinc/19/56/73/1101195673.db2.gz FAEKFLZPFGMZHN-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP CCOc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241028168 1101226315 /nfs/dbraw/zinc/22/63/15/1101226315.db2.gz MCTSKAWVNBRHHR-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241028168 1101226321 /nfs/dbraw/zinc/22/63/21/1101226321.db2.gz MCTSKAWVNBRHHR-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241030481 1101227396 /nfs/dbraw/zinc/22/73/96/1101227396.db2.gz SOWZOVZBUXVFTO-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241030481 1101227404 /nfs/dbraw/zinc/22/74/04/1101227404.db2.gz SOWZOVZBUXVFTO-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP Nc1cc(-c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cc[nH+]1 ZINC001241163609 1101281146 /nfs/dbraw/zinc/28/11/46/1101281146.db2.gz XADALKZVEFDSEJ-UHFFFAOYSA-N 2 2 306.413 3.450 20 0 DGADLP CCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1C ZINC001241197956 1101293081 /nfs/dbraw/zinc/29/30/81/1101293081.db2.gz QSAHYCAQANVLLP-UHFFFAOYSA-N 2 2 307.397 3.395 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(-n4cccn4)cc3)cc2)C1 ZINC001241394607 1101429724 /nfs/dbraw/zinc/42/97/24/1101429724.db2.gz USTLWZLJEPDGIZ-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(-n4cccn4)cc3)cc2)C1 ZINC001241394607 1101429733 /nfs/dbraw/zinc/42/97/33/1101429733.db2.gz USTLWZLJEPDGIZ-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc4ncccc4c3)ccn12 ZINC001241399173 1101432144 /nfs/dbraw/zinc/43/21/44/1101432144.db2.gz OUUPEAIAFRQPBJ-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001197263808 1101513085 /nfs/dbraw/zinc/51/30/85/1101513085.db2.gz COVRSDCRAXAHMY-UHFFFAOYSA-N 2 2 316.565 3.292 20 0 DGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc2c[nH]nc21 ZINC001241516473 1101527784 /nfs/dbraw/zinc/52/77/84/1101527784.db2.gz ISIRHDALOKBOGH-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc2c[nH]nc21 ZINC001241516473 1101527790 /nfs/dbraw/zinc/52/77/90/1101527790.db2.gz ISIRHDALOKBOGH-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3cccn4cc[nH+]c34)cc2)CC1 ZINC001241743464 1101675231 /nfs/dbraw/zinc/67/52/31/1101675231.db2.gz LUAWXGKDUVFAQT-UHFFFAOYSA-N 2 2 306.413 3.143 20 0 DGADLP Cn1ccc2c1cccc2-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241823921 1101730107 /nfs/dbraw/zinc/73/01/07/1101730107.db2.gz GLLQRJJJRFELOK-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2c1cccc2-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241823921 1101730118 /nfs/dbraw/zinc/73/01/18/1101730118.db2.gz GLLQRJJJRFELOK-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2c1cccc2-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241823923 1101730238 /nfs/dbraw/zinc/73/02/38/1101730238.db2.gz GLLQRJJJRFELOK-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2c1cccc2-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241823923 1101730243 /nfs/dbraw/zinc/73/02/43/1101730243.db2.gz GLLQRJJJRFELOK-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829725 1101786583 /nfs/dbraw/zinc/78/65/83/1101786583.db2.gz PMGFTHVETOAWHV-SMDDNHRTSA-N 2 2 316.367 3.453 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(OC(F)(F)F)c1 ZINC001205829725 1101786589 /nfs/dbraw/zinc/78/65/89/1101786589.db2.gz PMGFTHVETOAWHV-SMDDNHRTSA-N 2 2 316.367 3.453 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2OC(F)F)C1 ZINC001241953466 1101801125 /nfs/dbraw/zinc/80/11/25/1101801125.db2.gz WSOJPCXEKCFRFK-AWEZNQCLSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2OC(F)F)C1 ZINC001241953466 1101801143 /nfs/dbraw/zinc/80/11/43/1101801143.db2.gz WSOJPCXEKCFRFK-AWEZNQCLSA-N 2 2 318.367 3.488 20 0 DGADLP Cn1ccc2c1cc[nH+]c2-c1ccccc1C[NH+]1CCOCC1 ZINC001241980123 1101821956 /nfs/dbraw/zinc/82/19/56/1101821956.db2.gz JCGUBJPDIFYYCT-UHFFFAOYSA-N 2 2 307.397 3.073 20 0 DGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1N(C)C ZINC001242241781 1102002804 /nfs/dbraw/zinc/00/28/04/1102002804.db2.gz CMCITUZONDSPGQ-SFHVURJKSA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1N(C)C ZINC001242241781 1102002818 /nfs/dbraw/zinc/00/28/18/1102002818.db2.gz CMCITUZONDSPGQ-SFHVURJKSA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1N(C)C ZINC001242241830 1102002876 /nfs/dbraw/zinc/00/28/76/1102002876.db2.gz DLRGMXPLBUUISH-IBGZPJMESA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1N(C)C ZINC001242241830 1102002892 /nfs/dbraw/zinc/00/28/92/1102002892.db2.gz DLRGMXPLBUUISH-IBGZPJMESA-N 2 2 309.457 3.261 20 0 DGADLP FC(F)(F)c1ccncc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242277528 1102021196 /nfs/dbraw/zinc/02/11/96/1102021196.db2.gz HGEKPSNCFKDHOV-UHFFFAOYSA-N 2 2 318.302 3.102 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242285872 1102028826 /nfs/dbraw/zinc/02/88/26/1102028826.db2.gz YJWMKJTXHBBNKU-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242285872 1102028837 /nfs/dbraw/zinc/02/88/37/1102028837.db2.gz YJWMKJTXHBBNKU-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4ccncc43)cc2)C1 ZINC001242372252 1102085563 /nfs/dbraw/zinc/08/55/63/1102085563.db2.gz FXXAHXVKRPPHKZ-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4ccncc43)cc2)C1 ZINC001242372252 1102085576 /nfs/dbraw/zinc/08/55/76/1102085576.db2.gz FXXAHXVKRPPHKZ-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP COc1cc(F)c(F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242578472 1102221398 /nfs/dbraw/zinc/22/13/98/1102221398.db2.gz HEQGIIUSIQWESX-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(F)c(F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242578472 1102221408 /nfs/dbraw/zinc/22/14/08/1102221408.db2.gz HEQGIIUSIQWESX-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP c1cn(Cc2ccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)nc2)c[nH+]1 ZINC001242688981 1102285587 /nfs/dbraw/zinc/28/55/87/1102285587.db2.gz HCPVMHBWIBUSLL-GOSISDBHSA-N 2 2 308.429 3.358 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2ccc(C3=CC[C@H]([NH+]4CCCC4)CC3)cn12 ZINC001242692267 1102287760 /nfs/dbraw/zinc/28/77/60/1102287760.db2.gz DQGQJYCLJRXHPU-SFHVURJKSA-N 3 2 322.456 3.053 20 0 DGADLP C[NH+]1CCC(n2cc(-c3ccc(-n4cc[nH+]c4)cc3)cn2)CC1 ZINC001242727825 1102310661 /nfs/dbraw/zinc/31/06/61/1102310661.db2.gz GAQUTJONSBMXBN-UHFFFAOYSA-N 2 2 307.401 3.003 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3ccccc3n2)C1 ZINC001242776225 1102334742 /nfs/dbraw/zinc/33/47/42/1102334742.db2.gz GBOVFEFLZXJQNU-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ccccc3n2)C1 ZINC001242776225 1102334756 /nfs/dbraw/zinc/33/47/56/1102334756.db2.gz GBOVFEFLZXJQNU-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP O=C1CCCc2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc21 ZINC001242856363 1102383610 /nfs/dbraw/zinc/38/36/10/1102383610.db2.gz ANZNNUPWLLGNTE-UHFFFAOYSA-N 2 2 317.392 3.207 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902048 1102396120 /nfs/dbraw/zinc/39/61/20/1102396120.db2.gz HBFKAPHZBPXZEC-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902048 1102396131 /nfs/dbraw/zinc/39/61/31/1102396131.db2.gz HBFKAPHZBPXZEC-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cscc1Br ZINC001205904405 1102449469 /nfs/dbraw/zinc/44/94/69/1102449469.db2.gz UWFFFUKFXBFDSG-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cscc1Br ZINC001205904405 1102449476 /nfs/dbraw/zinc/44/94/76/1102449476.db2.gz UWFFFUKFXBFDSG-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205914205 1102532435 /nfs/dbraw/zinc/53/24/35/1102532435.db2.gz LLFOAOVCROSKKP-WCQYABFASA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205914205 1102532445 /nfs/dbraw/zinc/53/24/45/1102532445.db2.gz LLFOAOVCROSKKP-WCQYABFASA-N 2 2 314.832 3.437 20 0 DGADLP COc1c(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001243226046 1102603064 /nfs/dbraw/zinc/60/30/64/1102603064.db2.gz WQBAINSHOKHCIX-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001243226046 1102603066 /nfs/dbraw/zinc/60/30/66/1102603066.db2.gz WQBAINSHOKHCIX-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543652 1102631697 /nfs/dbraw/zinc/63/16/97/1102631697.db2.gz JBKUCEPNWYRATP-XHSDSOJGSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543652 1102631700 /nfs/dbraw/zinc/63/17/00/1102631700.db2.gz JBKUCEPNWYRATP-XHSDSOJGSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201543652 1102631706 /nfs/dbraw/zinc/63/17/06/1102631706.db2.gz JBKUCEPNWYRATP-XHSDSOJGSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201543652 1102631713 /nfs/dbraw/zinc/63/17/13/1102631713.db2.gz JBKUCEPNWYRATP-XHSDSOJGSA-N 2 2 307.507 3.476 20 0 DGADLP CC[NH+](CC)Cc1ccccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243336876 1102669302 /nfs/dbraw/zinc/66/93/02/1102669302.db2.gz DCBLPJWOTOIAMU-UHFFFAOYSA-N 3 2 324.472 3.000 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001243486459 1102751884 /nfs/dbraw/zinc/75/18/84/1102751884.db2.gz JBCAWLGHGRHWCF-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(Cl)cc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001243486459 1102751898 /nfs/dbraw/zinc/75/18/98/1102751898.db2.gz JBCAWLGHGRHWCF-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP c1cn(Cc2ccc(-c3ccc(O[C@H]4CC[NH2+]C4)cc3)cc2)c[nH+]1 ZINC001243661470 1102894344 /nfs/dbraw/zinc/89/43/44/1102894344.db2.gz CSEGPSBWKVAZHO-FQEVSTJZSA-N 2 2 319.408 3.339 20 0 DGADLP FC(F)(F)CCC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202394271 1102982130 /nfs/dbraw/zinc/98/21/30/1102982130.db2.gz HGZZSPPDGZPUAY-STQMWFEESA-N 2 2 318.408 3.454 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC001325744805 1103114225 /nfs/dbraw/zinc/11/42/25/1103114225.db2.gz VKNCILXNYGZOAV-RISCZKNCSA-N 2 2 323.234 3.090 20 0 DGADLP CC[N@H+](Cc1c[nH]c2cc(OC)ccc12)C1CC[NH+](C)CC1 ZINC001138588659 1103211340 /nfs/dbraw/zinc/21/13/40/1103211340.db2.gz UPWDAEHHJPDRER-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2cc(OC)ccc12)C1CC[NH+](C)CC1 ZINC001138588659 1103211353 /nfs/dbraw/zinc/21/13/53/1103211353.db2.gz UPWDAEHHJPDRER-UHFFFAOYSA-N 2 2 301.434 3.093 20 0 DGADLP CSC(C)(C)C[C@@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258341225 1103302622 /nfs/dbraw/zinc/30/26/22/1103302622.db2.gz KPFVRTLEUJDPJK-MRXNPFEDSA-N 3 2 317.587 3.112 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3O)c2)C1 ZINC001244471266 1103463795 /nfs/dbraw/zinc/46/37/95/1103463795.db2.gz CGYRILCOZPRPQV-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3O)c2)C1 ZINC001244471266 1103463799 /nfs/dbraw/zinc/46/37/99/1103463799.db2.gz CGYRILCOZPRPQV-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP Clc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC001327512572 1103666819 /nfs/dbraw/zinc/66/68/19/1103666819.db2.gz QMLIETMJBVXIGF-KDOFPFPSSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH2+]Cc1cccc(-c2ccc(-n3cc[nH+]c3)cc2OC)c1F ZINC001244865899 1103734132 /nfs/dbraw/zinc/73/41/32/1103734132.db2.gz UQLAVTARVZOFNN-UHFFFAOYSA-N 2 2 311.360 3.406 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(O)cc3Cl)c2)C1 ZINC001245083280 1103848887 /nfs/dbraw/zinc/84/88/87/1103848887.db2.gz MOZPFJKVVCEMRS-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(O)cc3Cl)c2)C1 ZINC001245083280 1103848901 /nfs/dbraw/zinc/84/89/01/1103848901.db2.gz MOZPFJKVVCEMRS-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP CC(C)[N@H+](Cc1ccccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC001137102033 1103980806 /nfs/dbraw/zinc/98/08/06/1103980806.db2.gz FHKCKONOPGJKDJ-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[N@@H+](Cc1ccccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC001137102033 1103980816 /nfs/dbraw/zinc/98/08/16/1103980816.db2.gz FHKCKONOPGJKDJ-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358641 1104005544 /nfs/dbraw/zinc/00/55/44/1104005544.db2.gz XOJLAUYEZZOJMW-NHCUHLMSSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358641 1104005557 /nfs/dbraw/zinc/00/55/57/1104005557.db2.gz XOJLAUYEZZOJMW-NHCUHLMSSA-N 3 2 321.468 3.311 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001137154581 1104019065 /nfs/dbraw/zinc/01/90/65/1104019065.db2.gz MKPDJEFGJQWGGX-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)cs2)CC1 ZINC001137158134 1104023030 /nfs/dbraw/zinc/02/30/30/1104023030.db2.gz FJDBFFLTSQYGRG-MRXNPFEDSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)cs2)CC1 ZINC001137158134 1104023042 /nfs/dbraw/zinc/02/30/42/1104023042.db2.gz FJDBFFLTSQYGRG-MRXNPFEDSA-N 2 2 308.491 3.132 20 0 DGADLP Nc1cc(F)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1Cl ZINC001245468126 1104074545 /nfs/dbraw/zinc/07/45/45/1104074545.db2.gz YZXTVOCGDOOXBK-UHFFFAOYSA-N 2 2 316.767 3.063 20 0 DGADLP Clc1cnccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001202668971 1104109574 /nfs/dbraw/zinc/10/95/74/1104109574.db2.gz YVTUDSJAOYHDOL-UHFFFAOYSA-N 2 2 312.804 3.270 20 0 DGADLP c1coc(-c2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2)n1 ZINC001245621337 1104156319 /nfs/dbraw/zinc/15/63/19/1104156319.db2.gz YCXCWRUDTSYJAB-UHFFFAOYSA-N 2 2 316.364 3.343 20 0 DGADLP CCCCC[C@H](O)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246035930 1104358631 /nfs/dbraw/zinc/35/86/31/1104358631.db2.gz VCSAFSLEWHPLOC-XUVXKRRUSA-N 2 2 316.489 3.149 20 0 DGADLP CCCCC[C@H](O)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246035930 1104358640 /nfs/dbraw/zinc/35/86/40/1104358640.db2.gz VCSAFSLEWHPLOC-XUVXKRRUSA-N 2 2 316.489 3.149 20 0 DGADLP COc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246074562 1104370657 /nfs/dbraw/zinc/37/06/57/1104370657.db2.gz DYMJRQSWOOOBCZ-UKRRQHHQSA-N 2 2 312.404 3.230 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246089802 1104378836 /nfs/dbraw/zinc/37/88/36/1104378836.db2.gz DWQDMXNQCSQUGE-GLQYFDAESA-N 2 2 317.235 3.140 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246113271 1104392020 /nfs/dbraw/zinc/39/20/20/1104392020.db2.gz SQUFNQRWKGJCMR-RTXFEEFZSA-N 2 2 302.846 3.110 20 0 DGADLP CC[C@H]1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172107 1104418963 /nfs/dbraw/zinc/41/89/63/1104418963.db2.gz ZETBZXMYXREBQR-IRXDYDNUSA-N 3 2 312.461 3.271 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+]CC[NH2+]Cc1ccccc1)CC2 ZINC001246173104 1104421041 /nfs/dbraw/zinc/42/10/41/1104421041.db2.gz ZMJODXJVQJQEII-QGZVFWFLSA-N 2 2 316.395 3.202 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246184881 1104428229 /nfs/dbraw/zinc/42/82/29/1104428229.db2.gz VVNQTFSFPJFFTL-ABAIWWIYSA-N 2 2 302.796 3.091 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2c(OC)cccc2OC)C[C@H](CC)[NH2+]1 ZINC001246197027 1104434179 /nfs/dbraw/zinc/43/41/79/1104434179.db2.gz XQLGHJPQANXADJ-FICVDOATSA-N 2 2 306.450 3.103 20 0 DGADLP c1ccc(C2([NH2+]C3C[C@@H]4COC[C@H](C3)[NH2+]4)CCCCCC2)cc1 ZINC001246197839 1104434519 /nfs/dbraw/zinc/43/45/19/1104434519.db2.gz RFJHBGZVATVMNR-YQQQUEKLSA-N 2 2 314.473 3.345 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC001246201932 1104435429 /nfs/dbraw/zinc/43/54/29/1104435429.db2.gz YWLGTZOSMFSOOA-UKRRQHHQSA-N 2 2 311.267 3.315 20 0 DGADLP c1ccc(COc2ccc(C[NH2+][C@@H]3CCCC[NH2+]C3)cc2)cc1 ZINC001246213224 1104438364 /nfs/dbraw/zinc/43/83/64/1104438364.db2.gz DOKXOUUSLXRCSY-LJQANCHMSA-N 2 2 310.441 3.497 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229267 1104447882 /nfs/dbraw/zinc/44/78/82/1104447882.db2.gz KRSBSQLXKXLATQ-MNOVXSKESA-N 2 2 304.331 3.465 20 0 DGADLP C[NH2+]CC[C@@H](C)[NH2+]Cc1nc2ccccc2n1Cc1ccccc1 ZINC001246287884 1104475935 /nfs/dbraw/zinc/47/59/35/1104475935.db2.gz KJXGOIUVQOWOLQ-MRXNPFEDSA-N 2 2 322.456 3.172 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)CC[NH2+]1 ZINC001246294360 1104477052 /nfs/dbraw/zinc/47/70/52/1104477052.db2.gz KSNNVIUPZWANKA-KBMXLJTQSA-N 2 2 301.459 3.157 20 0 DGADLP c1ccc2c(c1)CCC21CCC([NH2+]C[C@H]2CSCC[NH2+]2)CC1 ZINC001246337419 1104497316 /nfs/dbraw/zinc/49/73/16/1104497316.db2.gz SRONZJQPLLYTSF-HFCFLWKCSA-N 2 2 316.514 3.108 20 0 DGADLP COc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1OC ZINC001246353155 1104504133 /nfs/dbraw/zinc/50/41/33/1104504133.db2.gz USXNDPYYNUYGFB-NQBHXWOUSA-N 2 2 312.841 3.148 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246401290 1104526925 /nfs/dbraw/zinc/52/69/25/1104526925.db2.gz BUTWPWHKAOUHHD-HNNXBMFYSA-N 2 2 324.415 3.441 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[NH2+][C@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246405180 1104529490 /nfs/dbraw/zinc/52/94/90/1104529490.db2.gz LEUMKQXHYJCBCH-HIFRSBDPSA-N 2 2 324.415 3.440 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[NH2+][C@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246405187 1104529983 /nfs/dbraw/zinc/52/99/83/1104529983.db2.gz LEUMKQXHYJCBCH-UKRRQHHQSA-N 2 2 324.415 3.440 20 0 DGADLP CCC1([NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425047 1104536266 /nfs/dbraw/zinc/53/62/66/1104536266.db2.gz VLUZVUKQUZEFRQ-SJLPKXTDSA-N 3 2 319.468 3.049 20 0 DGADLP CCOC(C)(C)C[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001274943353 1104549495 /nfs/dbraw/zinc/54/94/95/1104549495.db2.gz SQRUHLZSUZNLKE-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP CCOC(C)(C)C[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001274943353 1104549506 /nfs/dbraw/zinc/54/95/06/1104549506.db2.gz SQRUHLZSUZNLKE-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP Fc1cccc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)c1 ZINC001246468651 1104551365 /nfs/dbraw/zinc/55/13/65/1104551365.db2.gz CZBFLTPUOJARGA-YIONKMFJSA-N 2 2 317.433 3.322 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC001246512385 1104572697 /nfs/dbraw/zinc/57/26/97/1104572697.db2.gz SMGWUPBZYHQVLK-FZKQIMNGSA-N 2 2 302.393 3.055 20 0 DGADLP CCCCC[C@@H](CC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522475 1104576257 /nfs/dbraw/zinc/57/62/57/1104576257.db2.gz CTOYIIHEHHQWSP-SJORKVTESA-N 2 2 306.450 3.422 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557676 1104595537 /nfs/dbraw/zinc/59/55/37/1104595537.db2.gz NEOCZLBEHAOOSM-GHMZBOCLSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557676 1104595544 /nfs/dbraw/zinc/59/55/44/1104595544.db2.gz NEOCZLBEHAOOSM-GHMZBOCLSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557678 1104596478 /nfs/dbraw/zinc/59/64/78/1104596478.db2.gz NEOCZLBEHAOOSM-MNOVXSKESA-N 2 2 320.786 3.326 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557678 1104596484 /nfs/dbraw/zinc/59/64/84/1104596484.db2.gz NEOCZLBEHAOOSM-MNOVXSKESA-N 2 2 320.786 3.326 20 0 DGADLP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062305 1104600359 /nfs/dbraw/zinc/60/03/59/1104600359.db2.gz VJGZUSCJMCZBJT-APWZRJJASA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062305 1104600364 /nfs/dbraw/zinc/60/03/64/1104600364.db2.gz VJGZUSCJMCZBJT-APWZRJJASA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062305 1104600367 /nfs/dbraw/zinc/60/03/67/1104600367.db2.gz VJGZUSCJMCZBJT-APWZRJJASA-N 2 2 317.477 3.121 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275062305 1104600369 /nfs/dbraw/zinc/60/03/69/1104600369.db2.gz VJGZUSCJMCZBJT-APWZRJJASA-N 2 2 317.477 3.121 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc1Cl ZINC001330655726 1104606936 /nfs/dbraw/zinc/60/69/36/1104606936.db2.gz QZRVGZRZDULLBW-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc1Cl ZINC001330655726 1104606941 /nfs/dbraw/zinc/60/69/41/1104606941.db2.gz QZRVGZRZDULLBW-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP Fc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246614213 1104628836 /nfs/dbraw/zinc/62/88/36/1104628836.db2.gz MZOYQBKXCPNHFE-APWZRJJASA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)C2 ZINC001246614213 1104628837 /nfs/dbraw/zinc/62/88/37/1104628837.db2.gz MZOYQBKXCPNHFE-APWZRJJASA-N 2 2 302.437 3.291 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@H+](C)Cc1cccc(Br)c1F ZINC001246815125 1104687454 /nfs/dbraw/zinc/68/74/54/1104687454.db2.gz WMPXLOHRJJCSBP-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1F ZINC001246815125 1104687460 /nfs/dbraw/zinc/68/74/60/1104687460.db2.gz WMPXLOHRJJCSBP-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP CSC(C)(C)C[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246618327 1104631627 /nfs/dbraw/zinc/63/16/27/1104631627.db2.gz JISHFJWTGULJBF-JQFCIGGWSA-N 2 2 304.503 3.478 20 0 DGADLP CSC(C)(C)C[C@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246618327 1104631634 /nfs/dbraw/zinc/63/16/34/1104631634.db2.gz JISHFJWTGULJBF-JQFCIGGWSA-N 2 2 304.503 3.478 20 0 DGADLP c1[nH+]c(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)c2ccccn12 ZINC001275137214 1104645113 /nfs/dbraw/zinc/64/51/13/1104645113.db2.gz SQECKSJUEMYUNJ-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCCCC13CC[NH2+]CC3)CO2 ZINC001246647350 1104646060 /nfs/dbraw/zinc/64/60/60/1104646060.db2.gz KYZQZNAIOSYTCZ-INIZCTEOSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCCCC13CC[NH2+]CC3)CO2 ZINC001246647350 1104646063 /nfs/dbraw/zinc/64/60/63/1104646063.db2.gz KYZQZNAIOSYTCZ-INIZCTEOSA-N 2 2 320.864 3.252 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647045 1104646086 /nfs/dbraw/zinc/64/60/86/1104646086.db2.gz GNBNOTXYPPPEHS-PMACEKPBSA-N 2 2 316.489 3.242 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647045 1104646089 /nfs/dbraw/zinc/64/60/89/1104646089.db2.gz GNBNOTXYPPPEHS-PMACEKPBSA-N 2 2 316.489 3.242 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC001246649489 1104646226 /nfs/dbraw/zinc/64/62/26/1104646226.db2.gz BVKYSNHRLYDVCT-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC001246649489 1104646233 /nfs/dbraw/zinc/64/62/33/1104646233.db2.gz BVKYSNHRLYDVCT-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CS2 ZINC001246667112 1104654478 /nfs/dbraw/zinc/65/44/78/1104654478.db2.gz XTYKGJJYEZSQMZ-YTQUADARSA-N 2 2 322.477 3.275 20 0 DGADLP c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CS2 ZINC001246667112 1104654480 /nfs/dbraw/zinc/65/44/80/1104654480.db2.gz XTYKGJJYEZSQMZ-YTQUADARSA-N 2 2 322.477 3.275 20 0 DGADLP Cc1ccc2n[nH]c(C[NH+]3CCC[C@@]4(CCC[N@@H+](C)C4)C3)c2c1 ZINC001275204828 1104676886 /nfs/dbraw/zinc/67/68/86/1104676886.db2.gz IHLUMFODJCNQMK-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc2n[nH]c(C[NH+]3CCC[C@@]4(CCC[N@H+](C)C4)C3)c2c1 ZINC001275204828 1104676890 /nfs/dbraw/zinc/67/68/90/1104676890.db2.gz IHLUMFODJCNQMK-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc2n[nH]c(C[N@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)c2c1 ZINC001275204828 1104676892 /nfs/dbraw/zinc/67/68/92/1104676892.db2.gz IHLUMFODJCNQMK-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc2n[nH]c(C[N@@H+]3CCC[C@@]4(CCC[NH+](C)C4)C3)c2c1 ZINC001275204828 1104676895 /nfs/dbraw/zinc/67/68/95/1104676895.db2.gz IHLUMFODJCNQMK-LJQANCHMSA-N 2 2 312.461 3.179 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798348 1104680957 /nfs/dbraw/zinc/68/09/57/1104680957.db2.gz SFLRDUZSKBWGBL-YVSFHVDLSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798348 1104680961 /nfs/dbraw/zinc/68/09/61/1104680961.db2.gz SFLRDUZSKBWGBL-YVSFHVDLSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798349 1104681293 /nfs/dbraw/zinc/68/12/93/1104681293.db2.gz SFLRDUZSKBWGBL-YYIAUSFCSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798349 1104681296 /nfs/dbraw/zinc/68/12/96/1104681296.db2.gz SFLRDUZSKBWGBL-YYIAUSFCSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246802318 1104681843 /nfs/dbraw/zinc/68/18/43/1104681843.db2.gz JKLCYNVMVXUGMD-FZKCQIBNSA-N 2 2 310.482 3.102 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246802318 1104681847 /nfs/dbraw/zinc/68/18/47/1104681847.db2.gz JKLCYNVMVXUGMD-FZKCQIBNSA-N 2 2 310.482 3.102 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC[NH+](Cc4ccco4)C3)C2)c1 ZINC001275236463 1104685785 /nfs/dbraw/zinc/68/57/85/1104685785.db2.gz SIFJQQLZJVMLSS-LJQANCHMSA-N 2 2 313.445 3.486 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@@]3(CCC[NH+](Cc4ccco4)C3)C2)c1 ZINC001275236463 1104685791 /nfs/dbraw/zinc/68/57/91/1104685791.db2.gz SIFJQQLZJVMLSS-LJQANCHMSA-N 2 2 313.445 3.486 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@H+](Cc4ccco4)C3)C2)c1 ZINC001275236463 1104685795 /nfs/dbraw/zinc/68/57/95/1104685795.db2.gz SIFJQQLZJVMLSS-LJQANCHMSA-N 2 2 313.445 3.486 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@@H+](Cc4ccco4)C3)C2)c1 ZINC001275236463 1104685800 /nfs/dbraw/zinc/68/58/00/1104685800.db2.gz SIFJQQLZJVMLSS-LJQANCHMSA-N 2 2 313.445 3.486 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC001246822537 1104691785 /nfs/dbraw/zinc/69/17/85/1104691785.db2.gz BPYLLRWLNIPOIR-OCCSQVGLSA-N 2 2 310.844 3.484 20 0 DGADLP CC1(C)OC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246838315 1104699259 /nfs/dbraw/zinc/69/92/59/1104699259.db2.gz GXALULBJFIFXMK-MRXNPFEDSA-N 2 2 314.473 3.385 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866160 1104712744 /nfs/dbraw/zinc/71/27/44/1104712744.db2.gz ARFSKDNYFVHBNE-ZCNNSNEGSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866160 1104712751 /nfs/dbraw/zinc/71/27/51/1104712751.db2.gz ARFSKDNYFVHBNE-ZCNNSNEGSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913825 1104735717 /nfs/dbraw/zinc/73/57/17/1104735717.db2.gz HCDXPXCAGPZNEM-ROUUACIJSA-N 2 2 316.445 3.100 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913825 1104735724 /nfs/dbraw/zinc/73/57/24/1104735724.db2.gz HCDXPXCAGPZNEM-ROUUACIJSA-N 2 2 316.445 3.100 20 0 DGADLP CO[C@@H]1CCC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933040 1104741749 /nfs/dbraw/zinc/74/17/49/1104741749.db2.gz FZXKNDOTNIGXGS-GBESFXJTSA-N 2 2 320.452 3.337 20 0 DGADLP CO[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246933040 1104741755 /nfs/dbraw/zinc/74/17/55/1104741755.db2.gz FZXKNDOTNIGXGS-GBESFXJTSA-N 2 2 320.452 3.337 20 0 DGADLP CC1(C)C[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246938730 1104744990 /nfs/dbraw/zinc/74/49/90/1104744990.db2.gz SUVKXXAUGOEJMO-ROUUACIJSA-N 2 2 320.452 3.337 20 0 DGADLP CC1(C)C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246938730 1104744993 /nfs/dbraw/zinc/74/49/93/1104744993.db2.gz SUVKXXAUGOEJMO-ROUUACIJSA-N 2 2 320.452 3.337 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948182 1104748015 /nfs/dbraw/zinc/74/80/15/1104748015.db2.gz IPMNRULFJCORBA-RDJZCZTQSA-N 2 2 310.482 3.105 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948182 1104748018 /nfs/dbraw/zinc/74/80/18/1104748018.db2.gz IPMNRULFJCORBA-RDJZCZTQSA-N 2 2 310.482 3.105 20 0 DGADLP CCOc1ccc(NC2CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246948780 1104748267 /nfs/dbraw/zinc/74/82/67/1104748267.db2.gz LUMGBOTXDOYZJQ-CRAIPNDOSA-N 2 2 317.477 3.102 20 0 DGADLP COC(=O)CC1CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975281 1104757667 /nfs/dbraw/zinc/75/76/67/1104757667.db2.gz BOCFCQOKRAPRLF-VMWRSERWSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)CC1CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975281 1104757673 /nfs/dbraw/zinc/75/76/73/1104757673.db2.gz BOCFCQOKRAPRLF-VMWRSERWSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980507 1104761108 /nfs/dbraw/zinc/76/11/08/1104761108.db2.gz RKGWSVJTXCLGQO-NJAFHUGGSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246980507 1104761118 /nfs/dbraw/zinc/76/11/18/1104761118.db2.gz RKGWSVJTXCLGQO-NJAFHUGGSA-N 2 2 322.493 3.105 20 0 DGADLP CCCCCC[C@H](CCC)[N@@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246989336 1104764555 /nfs/dbraw/zinc/76/45/55/1104764555.db2.gz QUWVUGRNLRVZRN-JENIJYKNSA-N 2 2 324.509 3.353 20 0 DGADLP CCCCCC[C@H](CCC)[N@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246989336 1104764563 /nfs/dbraw/zinc/76/45/63/1104764563.db2.gz QUWVUGRNLRVZRN-JENIJYKNSA-N 2 2 324.509 3.353 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998670 1104770325 /nfs/dbraw/zinc/77/03/25/1104770325.db2.gz YOAPKOCQUDVFNS-HKUYNNGSSA-N 3 2 309.542 3.494 20 0 DGADLP CCCC[C@H]1C[C@@H]([N@@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998670 1104770329 /nfs/dbraw/zinc/77/03/29/1104770329.db2.gz YOAPKOCQUDVFNS-HKUYNNGSSA-N 3 2 309.542 3.494 20 0 DGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001247006393 1104774425 /nfs/dbraw/zinc/77/44/25/1104774425.db2.gz UFYBMCZWTKDLFF-OAGGEKHMSA-N 2 2 319.468 3.033 20 0 DGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007569 1104774670 /nfs/dbraw/zinc/77/46/70/1104774670.db2.gz YJXCJIFVVDRMLF-MAUKXSAKSA-N 2 2 319.468 3.035 20 0 DGADLP COc1cc2[nH+]c(C3CC4(C3)CC[NH2+]CC4)[nH]c2cc1Cl ZINC001247012113 1104776450 /nfs/dbraw/zinc/77/64/50/1104776450.db2.gz ZUVJNNMVGFPTAL-UHFFFAOYSA-N 2 2 305.809 3.472 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012212 1104776979 /nfs/dbraw/zinc/77/69/79/1104776979.db2.gz CWQKAYUTJHTHDD-PBFPGSCMSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012212 1104776982 /nfs/dbraw/zinc/77/69/82/1104776982.db2.gz CWQKAYUTJHTHDD-PBFPGSCMSA-N 2 2 310.844 3.484 20 0 DGADLP CC1(C)C[NH2+][C@](C)(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001247787178 1104982612 /nfs/dbraw/zinc/98/26/12/1104982612.db2.gz YWVHJZOGSMHWRM-SFHVURJKSA-N 2 2 323.400 3.157 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1C ZINC001276132097 1105025866 /nfs/dbraw/zinc/02/58/66/1105025866.db2.gz FNIFPPXFZWUXPT-MQVJKMGUSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1C ZINC001276132097 1105025873 /nfs/dbraw/zinc/02/58/73/1105025873.db2.gz FNIFPPXFZWUXPT-MQVJKMGUSA-N 2 2 323.278 3.472 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]cn1C ZINC001276144684 1105029879 /nfs/dbraw/zinc/02/98/79/1105029879.db2.gz AWDWIZAASXHIPQ-KURKYZTESA-N 2 2 318.509 3.285 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]cn1C ZINC001276144684 1105029884 /nfs/dbraw/zinc/02/98/84/1105029884.db2.gz AWDWIZAASXHIPQ-KURKYZTESA-N 2 2 318.509 3.285 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001276222898 1105054669 /nfs/dbraw/zinc/05/46/69/1105054669.db2.gz AZCRMWFDULUQKY-LJQANCHMSA-N 2 2 316.493 3.041 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001276222898 1105054676 /nfs/dbraw/zinc/05/46/76/1105054676.db2.gz AZCRMWFDULUQKY-LJQANCHMSA-N 2 2 316.493 3.041 20 0 DGADLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)cn1 ZINC001276222898 1105054683 /nfs/dbraw/zinc/05/46/83/1105054683.db2.gz AZCRMWFDULUQKY-LJQANCHMSA-N 2 2 316.493 3.041 20 0 DGADLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)cn1 ZINC001276222898 1105054690 /nfs/dbraw/zinc/05/46/90/1105054690.db2.gz AZCRMWFDULUQKY-LJQANCHMSA-N 2 2 316.493 3.041 20 0 DGADLP c1cn(-c2cccc(NC3=CC[C@H]([NH+]4CCOCC4)CC3)c2)c[nH+]1 ZINC001249554354 1105312146 /nfs/dbraw/zinc/31/21/46/1105312146.db2.gz AXVROFBEGWKRJS-SFHVURJKSA-N 2 2 324.428 3.053 20 0 DGADLP Cc1c(CN(C)CC[N@H+](C)Cc2ccccc2)[nH+]c2ccccn21 ZINC001137275519 1105469266 /nfs/dbraw/zinc/46/92/66/1105469266.db2.gz ATPFDFANFYFUCX-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Cc1c(CN(C)CC[N@@H+](C)Cc2ccccc2)[nH+]c2ccccn21 ZINC001137275519 1105469267 /nfs/dbraw/zinc/46/92/67/1105469267.db2.gz ATPFDFANFYFUCX-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Cc1ccc(Br)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001137386004 1105510992 /nfs/dbraw/zinc/51/09/92/1105510992.db2.gz LUSNKANHNLSDTI-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001137386004 1105510999 /nfs/dbraw/zinc/51/09/99/1105510999.db2.gz LUSNKANHNLSDTI-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001137386004 1105511006 /nfs/dbraw/zinc/51/10/06/1105511006.db2.gz LUSNKANHNLSDTI-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001137386004 1105511012 /nfs/dbraw/zinc/51/10/12/1105511012.db2.gz LUSNKANHNLSDTI-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP C[C@H](c1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1)c1ccccc1 ZINC001250562828 1105537610 /nfs/dbraw/zinc/53/76/10/1105537610.db2.gz PHMBEJWAIZUYNE-HNNXBMFYSA-N 2 2 320.440 3.467 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC001253212825 1105903712 /nfs/dbraw/zinc/90/37/12/1105903712.db2.gz PIXLXLCBCHYTFT-INIZCTEOSA-N 2 2 310.869 3.012 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001253384590 1105932642 /nfs/dbraw/zinc/93/26/42/1105932642.db2.gz ALYNFYJQVQGOKW-INIZCTEOSA-N 2 2 317.408 3.049 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253396027 1105934612 /nfs/dbraw/zinc/93/46/12/1105934612.db2.gz RUMPBJWTXHOTOT-CVEARBPZSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253396027 1105934616 /nfs/dbraw/zinc/93/46/16/1105934616.db2.gz RUMPBJWTXHOTOT-CVEARBPZSA-N 2 2 310.869 3.226 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC001253747919 1105979693 /nfs/dbraw/zinc/97/96/93/1105979693.db2.gz YGHKBLIYPGBFKR-SFHVURJKSA-N 2 2 322.468 3.095 20 0 DGADLP Cc1ncsc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001254018597 1106010112 /nfs/dbraw/zinc/01/01/12/1106010112.db2.gz MNGMNYISBCWACG-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1ncsc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001254018597 1106010117 /nfs/dbraw/zinc/01/01/17/1106010117.db2.gz MNGMNYISBCWACG-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP FC1(F)CCC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001254219350 1106037956 /nfs/dbraw/zinc/03/79/56/1106037956.db2.gz IGDWNUZSTXRXIU-HOTGVXAUSA-N 2 2 321.415 3.023 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516295 1106089484 /nfs/dbraw/zinc/08/94/84/1106089484.db2.gz LRCWKPVBONUXPD-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516295 1106089491 /nfs/dbraw/zinc/08/94/91/1106089491.db2.gz LRCWKPVBONUXPD-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516295 1106089496 /nfs/dbraw/zinc/08/94/96/1106089496.db2.gz LRCWKPVBONUXPD-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001254516295 1106089502 /nfs/dbraw/zinc/08/95/02/1106089502.db2.gz LRCWKPVBONUXPD-QUCCMNQESA-N 2 2 309.457 3.377 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@@H]3CCC[N@@H+](C)CC3)CCO2)cc1 ZINC001254526154 1106092726 /nfs/dbraw/zinc/09/27/26/1106092726.db2.gz OSAGSZAVCOSWIP-RTBURBONSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@@H]3CCC[N@H+](C)CC3)CCO2)cc1 ZINC001254526154 1106092731 /nfs/dbraw/zinc/09/27/31/1106092731.db2.gz OSAGSZAVCOSWIP-RTBURBONSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+]([C@@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526154 1106092737 /nfs/dbraw/zinc/09/27/37/1106092737.db2.gz OSAGSZAVCOSWIP-RTBURBONSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+]([C@@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526154 1106092740 /nfs/dbraw/zinc/09/27/40/1106092740.db2.gz OSAGSZAVCOSWIP-RTBURBONSA-N 2 2 302.462 3.027 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525162 1106093205 /nfs/dbraw/zinc/09/32/05/1106093205.db2.gz GVSBILDUCIQKAJ-DLBZAZTESA-N 2 2 308.466 3.400 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525162 1106093211 /nfs/dbraw/zinc/09/32/11/1106093211.db2.gz GVSBILDUCIQKAJ-DLBZAZTESA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525162 1106093217 /nfs/dbraw/zinc/09/32/17/1106093217.db2.gz GVSBILDUCIQKAJ-DLBZAZTESA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525162 1106093223 /nfs/dbraw/zinc/09/32/23/1106093223.db2.gz GVSBILDUCIQKAJ-DLBZAZTESA-N 2 2 308.466 3.400 20 0 DGADLP c1cc(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc(N2CCCCC2)c1 ZINC001254836908 1106146152 /nfs/dbraw/zinc/14/61/52/1106146152.db2.gz PYKCKBQTWFQWAF-LJQANCHMSA-N 2 2 313.489 3.251 20 0 DGADLP Fc1ccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCC2)cc1 ZINC001254845526 1106148094 /nfs/dbraw/zinc/14/80/94/1106148094.db2.gz PQRAGGYZGYWFNG-SFHVURJKSA-N 2 2 302.437 3.365 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127731 1106185148 /nfs/dbraw/zinc/18/51/48/1106185148.db2.gz BYTVEWPMIVNERK-OQIJWPOYSA-N 2 2 322.456 3.323 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1 ZINC001255127731 1106185152 /nfs/dbraw/zinc/18/51/52/1106185152.db2.gz BYTVEWPMIVNERK-OQIJWPOYSA-N 2 2 322.456 3.323 20 0 DGADLP CC(=O)[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149803 1106190468 /nfs/dbraw/zinc/19/04/68/1106190468.db2.gz JPDSGIXASASFGS-ZRNYENFQSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149803 1106190470 /nfs/dbraw/zinc/19/04/70/1106190470.db2.gz JPDSGIXASASFGS-ZRNYENFQSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149803 1106190474 /nfs/dbraw/zinc/19/04/74/1106190474.db2.gz JPDSGIXASASFGS-ZRNYENFQSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149803 1106190475 /nfs/dbraw/zinc/19/04/75/1106190475.db2.gz JPDSGIXASASFGS-ZRNYENFQSA-N 2 2 312.457 3.093 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151397 1106192350 /nfs/dbraw/zinc/19/23/50/1106192350.db2.gz YCCPHZLFNMOSOJ-KRFUXDQASA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151397 1106192354 /nfs/dbraw/zinc/19/23/54/1106192354.db2.gz YCCPHZLFNMOSOJ-KRFUXDQASA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151397 1106192356 /nfs/dbraw/zinc/19/23/56/1106192356.db2.gz YCCPHZLFNMOSOJ-KRFUXDQASA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151397 1106192361 /nfs/dbraw/zinc/19/23/61/1106192361.db2.gz YCCPHZLFNMOSOJ-KRFUXDQASA-N 2 2 314.473 3.291 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001255321052 1106221529 /nfs/dbraw/zinc/22/15/29/1106221529.db2.gz XCSQCTRWPJXOOM-WDSOQIARSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001255321052 1106221530 /nfs/dbraw/zinc/22/15/30/1106221530.db2.gz XCSQCTRWPJXOOM-WDSOQIARSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](C)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001255326549 1106223407 /nfs/dbraw/zinc/22/34/07/1106223407.db2.gz RQQUSTYPGDINHS-KRWDZBQOSA-N 2 2 317.477 3.332 20 0 DGADLP c1csc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255380096 1106236871 /nfs/dbraw/zinc/23/68/71/1106236871.db2.gz HRGWMAVCBZCPRB-INIZCTEOSA-N 2 2 301.459 3.287 20 0 DGADLP c1csc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255380096 1106236873 /nfs/dbraw/zinc/23/68/73/1106236873.db2.gz HRGWMAVCBZCPRB-INIZCTEOSA-N 2 2 301.459 3.287 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384233 1106237827 /nfs/dbraw/zinc/23/78/27/1106237827.db2.gz WIXSYPYQPXFPKV-KRWDZBQOSA-N 2 2 302.462 3.246 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384233 1106237831 /nfs/dbraw/zinc/23/78/31/1106237831.db2.gz WIXSYPYQPXFPKV-KRWDZBQOSA-N 2 2 302.462 3.246 20 0 DGADLP CN1CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409398 1106248073 /nfs/dbraw/zinc/24/80/73/1106248073.db2.gz XCZQUJSXEKXBGU-IBGZPJMESA-N 2 2 315.505 3.067 20 0 DGADLP CN1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409398 1106248077 /nfs/dbraw/zinc/24/80/77/1106248077.db2.gz XCZQUJSXEKXBGU-IBGZPJMESA-N 2 2 315.505 3.067 20 0 DGADLP CN1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409398 1106248081 /nfs/dbraw/zinc/24/80/81/1106248081.db2.gz XCZQUJSXEKXBGU-IBGZPJMESA-N 2 2 315.505 3.067 20 0 DGADLP CN1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409398 1106248082 /nfs/dbraw/zinc/24/80/82/1106248082.db2.gz XCZQUJSXEKXBGU-IBGZPJMESA-N 2 2 315.505 3.067 20 0 DGADLP C[C@H](CC(F)(F)F)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001255642893 1106282757 /nfs/dbraw/zinc/28/27/57/1106282757.db2.gz IILJCFPCEVLKRU-LLVKDONJSA-N 2 2 304.331 3.416 20 0 DGADLP Cc1ccccc1O[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076576 1106364881 /nfs/dbraw/zinc/36/48/81/1106364881.db2.gz HIAQWQFKEYRJFI-SFHVURJKSA-N 2 2 300.446 3.075 20 0 DGADLP Cc1ccccc1O[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256076576 1106364886 /nfs/dbraw/zinc/36/48/86/1106364886.db2.gz HIAQWQFKEYRJFI-SFHVURJKSA-N 2 2 300.446 3.075 20 0 DGADLP Clc1cnccc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256072597 1106365445 /nfs/dbraw/zinc/36/54/45/1106365445.db2.gz RNFXWIUALVOJTD-KRWDZBQOSA-N 2 2 305.853 3.403 20 0 DGADLP Cc1cccc(C)c1N1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256081857 1106367652 /nfs/dbraw/zinc/36/76/52/1106367652.db2.gz NYZPYNWQLWNBGU-UHFFFAOYSA-N 2 2 313.489 3.052 20 0 DGADLP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001256210123 1106391187 /nfs/dbraw/zinc/39/11/87/1106391187.db2.gz DUZGVEBRDNUNCG-QAQDUYKDSA-N 2 2 324.509 3.162 20 0 DGADLP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001256210123 1106391189 /nfs/dbraw/zinc/39/11/89/1106391189.db2.gz DUZGVEBRDNUNCG-QAQDUYKDSA-N 2 2 324.509 3.162 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H](C)O1 ZINC001256538116 1106438187 /nfs/dbraw/zinc/43/81/87/1106438187.db2.gz QXZQPTLNYZESNZ-YWTNHNAXSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H](C)O1 ZINC001256538116 1106438190 /nfs/dbraw/zinc/43/81/90/1106438190.db2.gz QXZQPTLNYZESNZ-YWTNHNAXSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553358 1106441952 /nfs/dbraw/zinc/44/19/52/1106441952.db2.gz FQQGOWZYASEWMN-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553358 1106441955 /nfs/dbraw/zinc/44/19/55/1106441955.db2.gz FQQGOWZYASEWMN-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553358 1106441957 /nfs/dbraw/zinc/44/19/57/1106441957.db2.gz FQQGOWZYASEWMN-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001256553358 1106441960 /nfs/dbraw/zinc/44/19/60/1106441960.db2.gz FQQGOWZYASEWMN-IMBTUZDBSA-N 2 2 302.462 3.149 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554180 1106442074 /nfs/dbraw/zinc/44/20/74/1106442074.db2.gz OHYYKVYZUMMDQM-PWIZWCRZSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554180 1106442076 /nfs/dbraw/zinc/44/20/76/1106442076.db2.gz OHYYKVYZUMMDQM-PWIZWCRZSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554180 1106442079 /nfs/dbraw/zinc/44/20/79/1106442079.db2.gz OHYYKVYZUMMDQM-PWIZWCRZSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554180 1106442080 /nfs/dbraw/zinc/44/20/80/1106442080.db2.gz OHYYKVYZUMMDQM-PWIZWCRZSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553359 1106442276 /nfs/dbraw/zinc/44/22/76/1106442276.db2.gz FQQGOWZYASEWMN-MTNOOBJLSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553359 1106442278 /nfs/dbraw/zinc/44/22/78/1106442278.db2.gz FQQGOWZYASEWMN-MTNOOBJLSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553359 1106442280 /nfs/dbraw/zinc/44/22/80/1106442280.db2.gz FQQGOWZYASEWMN-MTNOOBJLSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001256553359 1106442282 /nfs/dbraw/zinc/44/22/82/1106442282.db2.gz FQQGOWZYASEWMN-MTNOOBJLSA-N 2 2 302.462 3.149 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256577367 1106449173 /nfs/dbraw/zinc/44/91/73/1106449173.db2.gz JPLAVXAFJSMISE-UHFFFAOYSA-N 3 2 309.542 3.446 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256577367 1106449174 /nfs/dbraw/zinc/44/91/74/1106449174.db2.gz JPLAVXAFJSMISE-UHFFFAOYSA-N 3 2 309.542 3.446 20 0 DGADLP CO[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001256612068 1106453860 /nfs/dbraw/zinc/45/38/60/1106453860.db2.gz DFHDUFQQLPTQGY-APWZRJJASA-N 2 2 302.462 3.150 20 0 DGADLP CO[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC001256612068 1106453862 /nfs/dbraw/zinc/45/38/62/1106453862.db2.gz DFHDUFQQLPTQGY-APWZRJJASA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](Cc1ccncc1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001256732709 1106476284 /nfs/dbraw/zinc/47/62/84/1106476284.db2.gz QIUOUYBCPRKZNO-OAHLLOKOSA-N 2 2 313.420 3.102 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001257381680 1106578366 /nfs/dbraw/zinc/57/83/66/1106578366.db2.gz RDONBURUDOTZTI-JKSUJKDBSA-N 2 2 310.482 3.105 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001257381680 1106578370 /nfs/dbraw/zinc/57/83/70/1106578370.db2.gz RDONBURUDOTZTI-JKSUJKDBSA-N 2 2 310.482 3.105 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001257402751 1106582254 /nfs/dbraw/zinc/58/22/54/1106582254.db2.gz PFXYQTGWBLBECW-OAHLLOKOSA-N 2 2 310.482 3.057 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001257402751 1106582258 /nfs/dbraw/zinc/58/22/58/1106582258.db2.gz PFXYQTGWBLBECW-OAHLLOKOSA-N 2 2 310.482 3.057 20 0 DGADLP CC1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1(C)C ZINC001257428521 1106587419 /nfs/dbraw/zinc/58/74/19/1106587419.db2.gz WASSWAILVVTHPW-UHFFFAOYSA-N 2 2 315.505 3.319 20 0 DGADLP CC1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1(C)C ZINC001257428521 1106587423 /nfs/dbraw/zinc/58/74/23/1106587423.db2.gz WASSWAILVVTHPW-UHFFFAOYSA-N 2 2 315.505 3.319 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC001257453791 1106592055 /nfs/dbraw/zinc/59/20/55/1106592055.db2.gz IOBLOMBDCIZKCI-RBUKOAKNSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCCCC1 ZINC001257453791 1106592058 /nfs/dbraw/zinc/59/20/58/1106592058.db2.gz IOBLOMBDCIZKCI-RBUKOAKNSA-N 2 2 302.462 3.198 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCCCC1)CC2 ZINC001257456244 1106593114 /nfs/dbraw/zinc/59/31/14/1106593114.db2.gz RCWFQUWYBYNGEC-UHFFFAOYSA-N 2 2 304.482 3.216 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCCCC1)CC2 ZINC001257456244 1106593116 /nfs/dbraw/zinc/59/31/16/1106593116.db2.gz RCWFQUWYBYNGEC-UHFFFAOYSA-N 2 2 304.482 3.216 20 0 DGADLP CCCCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257513888 1106600896 /nfs/dbraw/zinc/60/08/96/1106600896.db2.gz XXFUVCUHQBBZRQ-YTQUADARSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257513888 1106600899 /nfs/dbraw/zinc/60/08/99/1106600899.db2.gz XXFUVCUHQBBZRQ-YTQUADARSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257513888 1106600902 /nfs/dbraw/zinc/60/09/02/1106600902.db2.gz XXFUVCUHQBBZRQ-YTQUADARSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257513888 1106600904 /nfs/dbraw/zinc/60/09/04/1106600904.db2.gz XXFUVCUHQBBZRQ-YTQUADARSA-N 2 2 301.478 3.414 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCC3(COC3)CC2)CC1 ZINC001257903248 1106644492 /nfs/dbraw/zinc/64/44/92/1106644492.db2.gz ZUDCDCGQQOEDBF-WKILWMFISA-N 2 2 315.461 3.117 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CO2 ZINC001257959573 1106651384 /nfs/dbraw/zinc/65/13/84/1106651384.db2.gz MQSICEOLONJFDZ-OAHLLOKOSA-N 2 2 313.788 3.081 20 0 DGADLP CCOC(=O)c1csc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC001258005047 1106656794 /nfs/dbraw/zinc/65/67/94/1106656794.db2.gz NYYSSRSFPYENLD-UHFFFAOYSA-N 2 2 324.490 3.135 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4ncccc43)CC2)cc1 ZINC001258136933 1106679911 /nfs/dbraw/zinc/67/99/11/1106679911.db2.gz ZNPXFVTXIKILNT-NRFANRHFSA-N 2 2 321.468 3.366 20 0 DGADLP c1ccc(CC[NH+]2CCC([N@@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001258148125 1106681156 /nfs/dbraw/zinc/68/11/56/1106681156.db2.gz BTLQIUQEDALFQE-UHFFFAOYSA-N 2 2 321.468 3.147 20 0 DGADLP c1ccc(CC[NH+]2CCC([N@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001258148125 1106681159 /nfs/dbraw/zinc/68/11/59/1106681159.db2.gz BTLQIUQEDALFQE-UHFFFAOYSA-N 2 2 321.468 3.147 20 0 DGADLP C[C@H](Cc1ccco1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258177278 1106688416 /nfs/dbraw/zinc/68/84/16/1106688416.db2.gz QLKACMMSIHGCNP-ABAIWWIYSA-N 2 2 323.234 3.263 20 0 DGADLP C[C@H](Cc1ccco1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258177279 1106688608 /nfs/dbraw/zinc/68/86/08/1106688608.db2.gz QLKACMMSIHGCNP-IAQYHMDHSA-N 2 2 323.234 3.263 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CC(C)(C)SC)CC2)c1 ZINC001258348571 1106720968 /nfs/dbraw/zinc/72/09/68/1106720968.db2.gz HXBZNFWGAIOMDL-CQSZACIVSA-N 2 2 323.506 3.132 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC001258394554 1106728639 /nfs/dbraw/zinc/72/86/39/1106728639.db2.gz NSGZTDDFRAHPLX-AEFFLSMTSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC001258394554 1106728641 /nfs/dbraw/zinc/72/86/41/1106728641.db2.gz NSGZTDDFRAHPLX-AEFFLSMTSA-N 2 2 304.478 3.336 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H](C)CC1CC1)CC2 ZINC001258460323 1106756918 /nfs/dbraw/zinc/75/69/18/1106756918.db2.gz GBVOPLZJUGYDRP-AWEZNQCLSA-N 2 2 304.482 3.072 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H](C)CC1CC1)CC2 ZINC001258460323 1106756929 /nfs/dbraw/zinc/75/69/29/1106756929.db2.gz GBVOPLZJUGYDRP-AWEZNQCLSA-N 2 2 304.482 3.072 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CC1CC1)[C@@H]2C ZINC001258467087 1106764450 /nfs/dbraw/zinc/76/44/50/1106764450.db2.gz WJJYAFUJEDIKQP-HUUCEWRRSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CC1CC1)[C@@H]2C ZINC001258467087 1106764455 /nfs/dbraw/zinc/76/44/55/1106764455.db2.gz WJJYAFUJEDIKQP-HUUCEWRRSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)CC1CC1)[C@@H]2C ZINC001258467087 1106764468 /nfs/dbraw/zinc/76/44/68/1106764468.db2.gz WJJYAFUJEDIKQP-HUUCEWRRSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)CC1CC1)[C@@H]2C ZINC001258467087 1106764479 /nfs/dbraw/zinc/76/44/79/1106764479.db2.gz WJJYAFUJEDIKQP-HUUCEWRRSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258535914 1106806047 /nfs/dbraw/zinc/80/60/47/1106806047.db2.gz RBICMXDYXDDSCR-MRXNPFEDSA-N 2 2 321.896 3.381 20 0 DGADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258535914 1106806060 /nfs/dbraw/zinc/80/60/60/1106806060.db2.gz RBICMXDYXDDSCR-MRXNPFEDSA-N 2 2 321.896 3.381 20 0 DGADLP C[N@H+](C1CCN(c2ccccc2Cl)CC1)C1CC[NH+](C)CC1 ZINC001258541608 1106811138 /nfs/dbraw/zinc/81/11/38/1106811138.db2.gz RDKYRIRHNJNPGF-UHFFFAOYSA-N 2 2 321.896 3.335 20 0 DGADLP C[N@@H+](C1CCN(c2ccccc2Cl)CC1)C1CC[NH+](C)CC1 ZINC001258541608 1106811155 /nfs/dbraw/zinc/81/11/55/1106811155.db2.gz RDKYRIRHNJNPGF-UHFFFAOYSA-N 2 2 321.896 3.335 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001258689612 1106907862 /nfs/dbraw/zinc/90/78/62/1106907862.db2.gz HVLAWUSKZMSONB-BVBHFADKSA-N 2 2 315.505 3.003 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3C[C@H](C)CC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001258700743 1106915570 /nfs/dbraw/zinc/91/55/70/1106915570.db2.gz OMQKPEWQINEXIF-WMLDXEAASA-N 2 2 316.493 3.430 20 0 DGADLP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001320237417 1106936416 /nfs/dbraw/zinc/93/64/16/1106936416.db2.gz OENNRASHEMRKEM-MOPGFXCFSA-N 2 2 319.468 3.035 20 0 DGADLP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001320237417 1106936423 /nfs/dbraw/zinc/93/64/23/1106936423.db2.gz OENNRASHEMRKEM-MOPGFXCFSA-N 2 2 319.468 3.035 20 0 DGADLP CCCC[C@@H](CCC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258756445 1106956603 /nfs/dbraw/zinc/95/66/03/1106956603.db2.gz POZVDSOGKQYIIX-QYZOEREBSA-N 2 2 303.494 3.147 20 0 DGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258832291 1107014482 /nfs/dbraw/zinc/01/44/82/1107014482.db2.gz NOCSHDFYWOXUKH-PMACEKPBSA-N 2 2 317.521 3.249 20 0 DGADLP CC[C@@H](Cc1ccccc1)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258849988 1107026221 /nfs/dbraw/zinc/02/62/21/1107026221.db2.gz YHOQMAAJWOHMMU-SFHVURJKSA-N 2 2 304.478 3.050 20 0 DGADLP CC[C@@H](Cc1ccccc1)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258849988 1107026235 /nfs/dbraw/zinc/02/62/35/1107026235.db2.gz YHOQMAAJWOHMMU-SFHVURJKSA-N 2 2 304.478 3.050 20 0 DGADLP FC(F)(F)c1csc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001261492495 1107446201 /nfs/dbraw/zinc/44/62/01/1107446201.db2.gz HLIKMMAFQPZXPS-UHFFFAOYSA-N 2 2 319.396 3.128 20 0 DGADLP FC(F)(F)c1csc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001261492495 1107446205 /nfs/dbraw/zinc/44/62/05/1107446205.db2.gz HLIKMMAFQPZXPS-UHFFFAOYSA-N 2 2 319.396 3.128 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)[nH+]c1C ZINC001262045389 1107592178 /nfs/dbraw/zinc/59/21/78/1107592178.db2.gz OMRKCAPAXSFWDJ-VQIMIIECSA-N 2 2 324.428 3.022 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cncc(F)c2)[nH+]1 ZINC001322620610 1107717699 /nfs/dbraw/zinc/71/76/99/1107717699.db2.gz BEHUQIVNCJBHMH-INIZCTEOSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cncc(F)c2)[nH+]1 ZINC001322620610 1107717709 /nfs/dbraw/zinc/71/77/09/1107717709.db2.gz BEHUQIVNCJBHMH-INIZCTEOSA-N 2 2 300.381 3.001 20 0 DGADLP CCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001322848018 1107768460 /nfs/dbraw/zinc/76/84/60/1107768460.db2.gz XANFUMRKTKFHQU-UHFFFAOYSA-N 2 2 322.368 3.227 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379631499 1108033770 /nfs/dbraw/zinc/03/37/70/1108033770.db2.gz RMARULNIZYMVAK-HOJAQTOUSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631499 1108033785 /nfs/dbraw/zinc/03/37/85/1108033785.db2.gz RMARULNIZYMVAK-HOJAQTOUSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631499 1108033797 /nfs/dbraw/zinc/03/37/97/1108033797.db2.gz RMARULNIZYMVAK-HOJAQTOUSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631499 1108033810 /nfs/dbraw/zinc/03/38/10/1108033810.db2.gz RMARULNIZYMVAK-HOJAQTOUSA-N 3 2 315.505 3.113 20 0 DGADLP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001323881785 1108112306 /nfs/dbraw/zinc/11/23/06/1108112306.db2.gz ZHGJXZQLHOUUHG-MOPGFXCFSA-N 2 2 319.468 3.037 20 0 DGADLP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001323881785 1108112315 /nfs/dbraw/zinc/11/23/15/1108112315.db2.gz ZHGJXZQLHOUUHG-MOPGFXCFSA-N 2 2 319.468 3.037 20 0 DGADLP Cc1cc([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)ccc1N1CC[NH+](C)CC1 ZINC001324364739 1108266932 /nfs/dbraw/zinc/26/69/32/1108266932.db2.gz OSLQGZRUGYRPGB-VQFNDLOPSA-N 2 2 317.477 3.115 20 0 DGADLP CCC[C@@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)OC ZINC000387425212 1108460222 /nfs/dbraw/zinc/46/02/22/1108460222.db2.gz NPUPNBMZRXNSRZ-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)OC ZINC000387425212 1108460233 /nfs/dbraw/zinc/46/02/33/1108460233.db2.gz NPUPNBMZRXNSRZ-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001319832919 1108656951 /nfs/dbraw/zinc/65/69/51/1108656951.db2.gz FNIPXUJZENNZBP-BTHPGYMESA-N 2 2 315.505 3.284 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CC2CCCCC2)c(C)[nH+]1 ZINC001265803003 1109008551 /nfs/dbraw/zinc/00/85/51/1109008551.db2.gz VLBWRKWZBUHIDM-OAHLLOKOSA-N 2 2 317.477 3.295 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000393457207 1109016698 /nfs/dbraw/zinc/01/66/98/1109016698.db2.gz QBQAJJAXVQAZBF-HNNXBMFYSA-N 2 2 313.420 3.410 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C2CC([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001279264597 1109143699 /nfs/dbraw/zinc/14/36/99/1109143699.db2.gz MPVXFLAXFZIXDB-UHFFFAOYSA-N 2 2 317.477 3.246 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@@H+](C)CC[C@@H](C)F)c(C)[nH+]1 ZINC001280835589 1109261873 /nfs/dbraw/zinc/26/18/73/1109261873.db2.gz KXWYOZMKDMRCPA-CQSZACIVSA-N 2 2 323.456 3.149 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@H+](C)CC[C@@H](C)F)c(C)[nH+]1 ZINC001280835589 1109261876 /nfs/dbraw/zinc/26/18/76/1109261876.db2.gz KXWYOZMKDMRCPA-CQSZACIVSA-N 2 2 323.456 3.149 20 0 DGADLP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCCC(C)(C)C ZINC001283676448 1109671637 /nfs/dbraw/zinc/67/16/37/1109671637.db2.gz AFQZWFVZVFGQHD-CVEARBPZSA-N 2 2 322.497 3.097 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(Cl)s3)C2)CC1 ZINC001333644975 1110209775 /nfs/dbraw/zinc/20/97/75/1110209775.db2.gz ACFARMBPXJNFBU-ZDUSSCGKSA-N 2 2 314.882 3.117 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(Cl)s3)C2)CC1 ZINC001333644975 1110209777 /nfs/dbraw/zinc/20/97/77/1110209777.db2.gz ACFARMBPXJNFBU-ZDUSSCGKSA-N 2 2 314.882 3.117 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC001307501790 1111307422 /nfs/dbraw/zinc/30/74/22/1111307422.db2.gz YYXWCWCUVFOVGY-IBGZPJMESA-N 2 2 312.461 3.295 20 0 DGADLP COCCOc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001308206923 1111397317 /nfs/dbraw/zinc/39/73/17/1111397317.db2.gz BKPJOUZRRWEPME-UHFFFAOYSA-N 2 2 320.477 3.064 20 0 DGADLP Cn1ccnc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC001308260694 1111407194 /nfs/dbraw/zinc/40/71/94/1111407194.db2.gz IMCXZMYVNQFHRY-UHFFFAOYSA-N 2 2 312.461 3.086 20 0 DGADLP COc1ccc(C[NH+](C)C)cc1NCc1cccc2[nH+]ccn21 ZINC001308325046 1111416239 /nfs/dbraw/zinc/41/62/39/1111416239.db2.gz RBIAFZNVNQTEDK-UHFFFAOYSA-N 2 2 310.401 3.017 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CCC1 ZINC001308696540 1111461879 /nfs/dbraw/zinc/46/18/79/1111461879.db2.gz RUDVJTCXVMEONQ-IRXDYDNUSA-N 2 2 302.462 3.306 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1COc2ccccc2C1 ZINC001308741119 1111468217 /nfs/dbraw/zinc/46/82/17/1111468217.db2.gz GLKBAMPHBHFHFL-VDZJLULYSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1COc2ccccc2C1 ZINC001308741119 1111468220 /nfs/dbraw/zinc/46/82/20/1111468220.db2.gz GLKBAMPHBHFHFL-VDZJLULYSA-N 2 2 314.473 3.233 20 0 DGADLP CCC[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001308786276 1111474934 /nfs/dbraw/zinc/47/49/34/1111474934.db2.gz TZZUSLJXNKBTKD-ZDUSSCGKSA-N 2 2 307.825 3.430 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001308784105 1111474971 /nfs/dbraw/zinc/47/49/71/1111474971.db2.gz CQANXBYACMOWTE-GFCCVEGCSA-N 2 2 316.792 3.235 20 0 DGADLP Cc1cc(CNc2ccc(OCC[NH+](C)C)c(F)c2)cc(C)[nH+]1 ZINC001308813345 1111478797 /nfs/dbraw/zinc/47/87/97/1111478797.db2.gz RENLIIKVNBIONT-UHFFFAOYSA-N 2 2 317.408 3.390 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC001308841272 1111483412 /nfs/dbraw/zinc/48/34/12/1111483412.db2.gz VTQXYPYHSOWPCE-FGTMMUONSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC001308841272 1111483416 /nfs/dbraw/zinc/48/34/16/1111483416.db2.gz VTQXYPYHSOWPCE-FGTMMUONSA-N 2 2 304.865 3.414 20 0 DGADLP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1F ZINC001308883608 1111488573 /nfs/dbraw/zinc/48/85/73/1111488573.db2.gz YRYDLTUHWSGRNB-GOEBONIOSA-N 2 2 308.441 3.387 20 0 DGADLP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1F ZINC001308883608 1111488578 /nfs/dbraw/zinc/48/85/78/1111488578.db2.gz YRYDLTUHWSGRNB-GOEBONIOSA-N 2 2 308.441 3.387 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001308984014 1111505557 /nfs/dbraw/zinc/50/55/57/1111505557.db2.gz DNEBZPKXDAVLRV-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP COc1cc(F)cc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001308984014 1111505561 /nfs/dbraw/zinc/50/55/61/1111505561.db2.gz DNEBZPKXDAVLRV-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP COc1cc(F)cc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001308984014 1111505562 /nfs/dbraw/zinc/50/55/62/1111505562.db2.gz DNEBZPKXDAVLRV-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP COc1cc(F)cc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001308984014 1111505567 /nfs/dbraw/zinc/50/55/67/1111505567.db2.gz DNEBZPKXDAVLRV-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F ZINC000278481923 214182039 /nfs/dbraw/zinc/18/20/39/214182039.db2.gz KOCSLJRHPDBPPK-ZIAGYGMSSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F ZINC000278481923 214182042 /nfs/dbraw/zinc/18/20/42/214182042.db2.gz KOCSLJRHPDBPPK-ZIAGYGMSSA-N 2 2 312.404 3.116 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)CC(=O)NC)[NH2+][C@@H](C)c1ccccc1 ZINC000269043256 282121901 /nfs/dbraw/zinc/12/19/01/282121901.db2.gz WBCJQBVCGKXNRU-CVEARBPZSA-N 2 2 319.493 3.010 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Cl ZINC000278514411 214205161 /nfs/dbraw/zinc/20/51/61/214205161.db2.gz MJJXIQSFWACOPR-GJZGRUSLSA-N 2 2 310.869 3.492 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1Cl ZINC000278514411 214205162 /nfs/dbraw/zinc/20/51/62/214205162.db2.gz MJJXIQSFWACOPR-GJZGRUSLSA-N 2 2 310.869 3.492 20 0 DGADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OC(C)C ZINC000062254778 432003127 /nfs/dbraw/zinc/00/31/27/432003127.db2.gz VFTWILPOJPJRQX-HNNXBMFYSA-N 2 2 317.433 3.105 20 0 DGADLP CCc1nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cs1 ZINC000278607422 214271479 /nfs/dbraw/zinc/27/14/79/214271479.db2.gz GDMXSAZMZUJXDE-UHFFFAOYSA-N 2 2 317.458 3.452 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000079000195 185143891 /nfs/dbraw/zinc/14/38/91/185143891.db2.gz HSJBGVKULHWCIK-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP Cc1[nH+]cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)n1-c1ccccc1 ZINC000295975869 282151030 /nfs/dbraw/zinc/15/10/30/282151030.db2.gz JAJGDOOZYNPRFR-MRXNPFEDSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]cc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)n1-c1ccccc1 ZINC000295975869 282151031 /nfs/dbraw/zinc/15/10/31/282151031.db2.gz JAJGDOOZYNPRFR-MRXNPFEDSA-N 2 2 324.472 3.097 20 0 DGADLP O[C@H](C[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743833 231036963 /nfs/dbraw/zinc/03/69/63/231036963.db2.gz UEMWMFGECCPZCF-HZPDHXFCSA-N 2 2 319.474 3.313 20 0 DGADLP O[C@H](C[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1cccs1 ZINC000305743833 231036966 /nfs/dbraw/zinc/03/69/66/231036966.db2.gz UEMWMFGECCPZCF-HZPDHXFCSA-N 2 2 319.474 3.313 20 0 DGADLP Cc1nc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000310009575 231111240 /nfs/dbraw/zinc/11/12/40/231111240.db2.gz JPLLHSHEVRSXAS-SFHVURJKSA-N 2 2 310.445 3.499 20 0 DGADLP Cc1nc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000310009575 231111241 /nfs/dbraw/zinc/11/12/41/231111241.db2.gz JPLLHSHEVRSXAS-SFHVURJKSA-N 2 2 310.445 3.499 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc2ccccc21 ZINC000320410411 231193808 /nfs/dbraw/zinc/19/38/08/231193808.db2.gz BSUOJEPGXVVFGY-AWEZNQCLSA-N 2 2 308.429 3.490 20 0 DGADLP C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328639077 231274206 /nfs/dbraw/zinc/27/42/06/231274206.db2.gz PKKALKMQTGNLAZ-IEZWGBDMSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328639077 231274210 /nfs/dbraw/zinc/27/42/10/231274210.db2.gz PKKALKMQTGNLAZ-IEZWGBDMSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@@H](c1ccccn1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328639077 231274213 /nfs/dbraw/zinc/27/42/13/231274213.db2.gz PKKALKMQTGNLAZ-IEZWGBDMSA-N 2 2 310.445 3.162 20 0 DGADLP C[C@@H](c1ccccn1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328639077 231274217 /nfs/dbraw/zinc/27/42/17/231274217.db2.gz PKKALKMQTGNLAZ-IEZWGBDMSA-N 2 2 310.445 3.162 20 0 DGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH2+]C)C3)cs2)cc1 ZINC000430963467 529577442 /nfs/dbraw/zinc/57/74/42/529577442.db2.gz VGMHKAULRVORHW-OAHLLOKOSA-N 2 2 315.486 3.414 20 0 DGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH2+]C)C3)cs2)cc1 ZINC000430963467 529577445 /nfs/dbraw/zinc/57/74/45/529577445.db2.gz VGMHKAULRVORHW-OAHLLOKOSA-N 2 2 315.486 3.414 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000415062215 529616119 /nfs/dbraw/zinc/61/61/19/529616119.db2.gz DVUAJDCCJJIVGX-HNAYVOBHSA-N 2 2 304.478 3.291 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000415073048 529617254 /nfs/dbraw/zinc/61/72/54/529617254.db2.gz YXCLBSNOULODIQ-QGZVFWFLSA-N 2 2 314.429 3.056 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000422775233 529650551 /nfs/dbraw/zinc/65/05/51/529650551.db2.gz ATDOQLDGGBDOII-SZMVWBNQSA-N 2 2 304.478 3.099 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000152996596 529656932 /nfs/dbraw/zinc/65/69/32/529656932.db2.gz SXLHCLGWZMAYPB-QRVBRYPASA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000152996596 529656933 /nfs/dbraw/zinc/65/69/33/529656933.db2.gz SXLHCLGWZMAYPB-QRVBRYPASA-N 2 2 302.462 3.056 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccc(F)cc1 ZINC000089977211 185273124 /nfs/dbraw/zinc/27/31/24/185273124.db2.gz WKXLYWANEHVQMQ-SJORKVTESA-N 2 2 306.425 3.153 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccc(F)cc1 ZINC000089977211 185273125 /nfs/dbraw/zinc/27/31/25/185273125.db2.gz WKXLYWANEHVQMQ-SJORKVTESA-N 2 2 306.425 3.153 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccc(F)cc1 ZINC000089977211 185273126 /nfs/dbraw/zinc/27/31/26/185273126.db2.gz WKXLYWANEHVQMQ-SJORKVTESA-N 2 2 306.425 3.153 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccc(F)cc1 ZINC000089977211 185273127 /nfs/dbraw/zinc/27/31/27/185273127.db2.gz WKXLYWANEHVQMQ-SJORKVTESA-N 2 2 306.425 3.153 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090522964 185300372 /nfs/dbraw/zinc/30/03/72/185300372.db2.gz BESDKKJLSKQPSG-PVAVHDDUSA-N 2 2 306.450 3.007 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401697 185294524 /nfs/dbraw/zinc/29/45/24/185294524.db2.gz NOVWRQLCDXETQW-UMVBOHGHSA-N 2 2 316.474 3.023 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000090401697 185294525 /nfs/dbraw/zinc/29/45/25/185294525.db2.gz NOVWRQLCDXETQW-UMVBOHGHSA-N 2 2 316.474 3.023 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229700 432005966 /nfs/dbraw/zinc/00/59/66/432005966.db2.gz SERPAKVYRPKXSU-KRWDZBQOSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229700 432005967 /nfs/dbraw/zinc/00/59/67/432005967.db2.gz SERPAKVYRPKXSU-KRWDZBQOSA-N 2 2 305.466 3.379 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccn1 ZINC000090667465 185308718 /nfs/dbraw/zinc/30/87/18/185308718.db2.gz GDYIMLXHGFALKY-HOTGVXAUSA-N 2 2 310.445 3.353 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000092587794 185327564 /nfs/dbraw/zinc/32/75/64/185327564.db2.gz BURDRAMTGNAPLS-GOSISDBHSA-N 2 2 302.462 3.336 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CC1 ZINC000092587794 185327565 /nfs/dbraw/zinc/32/75/65/185327565.db2.gz BURDRAMTGNAPLS-GOSISDBHSA-N 2 2 302.462 3.336 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000092588020 185327779 /nfs/dbraw/zinc/32/77/79/185327779.db2.gz VVSJTXWZYJWYNB-FUHWJXTLSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000092588020 185327780 /nfs/dbraw/zinc/32/77/80/185327780.db2.gz VVSJTXWZYJWYNB-FUHWJXTLSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000092588020 185327781 /nfs/dbraw/zinc/32/77/81/185327781.db2.gz VVSJTXWZYJWYNB-FUHWJXTLSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000092588020 185327782 /nfs/dbraw/zinc/32/77/82/185327782.db2.gz VVSJTXWZYJWYNB-FUHWJXTLSA-N 2 2 302.462 3.479 20 0 DGADLP C[N@H+](Cc1ccsc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645367 185330721 /nfs/dbraw/zinc/33/07/21/185330721.db2.gz UCDUJARZWNNBHY-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP C[N@@H+](Cc1ccsc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645367 185330722 /nfs/dbraw/zinc/33/07/22/185330722.db2.gz UCDUJARZWNNBHY-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP Cc1ccoc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645317 185330821 /nfs/dbraw/zinc/33/08/21/185330821.db2.gz XVRVEGPUDKIJDJ-UHFFFAOYSA-N 2 2 313.445 3.122 20 0 DGADLP Cc1ccoc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645317 185330822 /nfs/dbraw/zinc/33/08/22/185330822.db2.gz XVRVEGPUDKIJDJ-UHFFFAOYSA-N 2 2 313.445 3.122 20 0 DGADLP Cc1ccn2c(CN3CCCC[C@H]([NH+]4CCCC4)C3)c[nH+]c2c1 ZINC000092785645 185340880 /nfs/dbraw/zinc/34/08/80/185340880.db2.gz WHWIAUHQEYLFHW-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000289480749 282256280 /nfs/dbraw/zinc/25/62/80/282256280.db2.gz RTAQREXEBOEKIH-AWEZNQCLSA-N 2 2 324.852 3.027 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000289480749 282256283 /nfs/dbraw/zinc/25/62/83/282256283.db2.gz RTAQREXEBOEKIH-AWEZNQCLSA-N 2 2 324.852 3.027 20 0 DGADLP COCCC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000181591297 199324383 /nfs/dbraw/zinc/32/43/83/199324383.db2.gz FSSNNPCPEHVVOD-JKSUJKDBSA-N 2 2 305.466 3.012 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894042 529802476 /nfs/dbraw/zinc/80/24/76/529802476.db2.gz ZJGHMZGAVVHQNX-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894042 529802477 /nfs/dbraw/zinc/80/24/77/529802477.db2.gz ZJGHMZGAVVHQNX-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894042 529802478 /nfs/dbraw/zinc/80/24/78/529802478.db2.gz ZJGHMZGAVVHQNX-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3c(F)cccc3Cl)C2)C1 ZINC000292894042 529802479 /nfs/dbraw/zinc/80/24/79/529802479.db2.gz ZJGHMZGAVVHQNX-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989814 529811998 /nfs/dbraw/zinc/81/19/98/529811998.db2.gz GIJLUYVELQDOJP-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989814 529811999 /nfs/dbraw/zinc/81/19/99/529811999.db2.gz GIJLUYVELQDOJP-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989814 529812000 /nfs/dbraw/zinc/81/20/00/529812000.db2.gz GIJLUYVELQDOJP-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)C1 ZINC000428989814 529812001 /nfs/dbraw/zinc/81/20/01/529812001.db2.gz GIJLUYVELQDOJP-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628098 529988532 /nfs/dbraw/zinc/98/85/32/529988532.db2.gz NXZYEXXLJIFLFD-GJZGRUSLSA-N 2 2 314.433 3.037 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000430628098 529988533 /nfs/dbraw/zinc/98/85/33/529988533.db2.gz NXZYEXXLJIFLFD-GJZGRUSLSA-N 2 2 314.433 3.037 20 0 DGADLP C[N@H+](Cc1csc(Cc2ccccc2)n1)CC(C)(C)C[NH3+] ZINC000430568114 530019417 /nfs/dbraw/zinc/01/94/17/530019417.db2.gz HDXAGZWPPOUGKC-UHFFFAOYSA-N 2 2 303.475 3.151 20 0 DGADLP C[N@@H+](Cc1csc(Cc2ccccc2)n1)CC(C)(C)C[NH3+] ZINC000430568114 530019418 /nfs/dbraw/zinc/01/94/18/530019418.db2.gz HDXAGZWPPOUGKC-UHFFFAOYSA-N 2 2 303.475 3.151 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769140 530024287 /nfs/dbraw/zinc/02/42/87/530024287.db2.gz MUVYMGZXHNOFLF-XYPWUTKMSA-N 2 2 315.392 3.196 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769140 530024289 /nfs/dbraw/zinc/02/42/89/530024289.db2.gz MUVYMGZXHNOFLF-XYPWUTKMSA-N 2 2 315.392 3.196 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435617633 530024536 /nfs/dbraw/zinc/02/45/36/530024536.db2.gz PXFCALJZRZQOGJ-HNNXBMFYSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435617633 530024537 /nfs/dbraw/zinc/02/45/37/530024537.db2.gz PXFCALJZRZQOGJ-HNNXBMFYSA-N 2 2 303.381 3.055 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415057872 530037001 /nfs/dbraw/zinc/03/70/01/530037001.db2.gz UQPHLCKQXILEDX-QGZVFWFLSA-N 2 2 312.461 3.313 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079341 530059923 /nfs/dbraw/zinc/05/99/23/530059923.db2.gz WCKCIQCKONQPQH-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079341 530059924 /nfs/dbraw/zinc/05/99/24/530059924.db2.gz WCKCIQCKONQPQH-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079341 530059925 /nfs/dbraw/zinc/05/99/25/530059925.db2.gz WCKCIQCKONQPQH-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079341 530059926 /nfs/dbraw/zinc/05/99/26/530059926.db2.gz WCKCIQCKONQPQH-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCC[NH+](C)C1 ZINC000104096139 432014756 /nfs/dbraw/zinc/01/47/56/432014756.db2.gz GSUJREQIHUPNSY-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP C[N@H+](Cc1ccc(Br)s1)C[C@H]1CCC[NH+](C)C1 ZINC000104096139 432014758 /nfs/dbraw/zinc/01/47/58/432014758.db2.gz GSUJREQIHUPNSY-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1ccc(Br)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000104096139 432014759 /nfs/dbraw/zinc/01/47/59/432014759.db2.gz GSUJREQIHUPNSY-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP C[NH+](Cc1ccc(Br)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104096139 432014761 /nfs/dbraw/zinc/01/47/61/432014761.db2.gz GSUJREQIHUPNSY-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000272661845 210067749 /nfs/dbraw/zinc/06/77/49/210067749.db2.gz RNHNHFZEULHGSJ-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000272661845 210067752 /nfs/dbraw/zinc/06/77/52/210067752.db2.gz RNHNHFZEULHGSJ-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000272661845 210067754 /nfs/dbraw/zinc/06/77/54/210067754.db2.gz RNHNHFZEULHGSJ-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000272661845 210067760 /nfs/dbraw/zinc/06/77/60/210067760.db2.gz RNHNHFZEULHGSJ-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nccn1-c1ccccc1 ZINC000286898027 219215556 /nfs/dbraw/zinc/21/55/56/219215556.db2.gz DITKDRFFLUDHDW-BQFCYCMXSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nccn1-c1ccccc1 ZINC000286898027 219215558 /nfs/dbraw/zinc/21/55/58/219215558.db2.gz DITKDRFFLUDHDW-BQFCYCMXSA-N 2 2 310.445 3.150 20 0 DGADLP CCC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H](O)c1ccccc1 ZINC000279760778 215122058 /nfs/dbraw/zinc/12/20/58/215122058.db2.gz ZUPMBSQIOMQURJ-PKOBYXMFSA-N 2 2 309.413 3.326 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nccn2-c2ccccc2)CC1 ZINC000287083384 219301718 /nfs/dbraw/zinc/30/17/18/219301718.db2.gz OWQMTUUXFRMDGD-MRXNPFEDSA-N 2 2 312.461 3.397 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000287087180 219304707 /nfs/dbraw/zinc/30/47/07/219304707.db2.gz PCKVGSIKMFVBET-JXFKEZNVSA-N 2 2 321.424 3.127 20 0 DGADLP Cc1ccncc1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000280003518 215304770 /nfs/dbraw/zinc/30/47/70/215304770.db2.gz RYRRTNWKNMWLAB-INIZCTEOSA-N 2 2 301.459 3.378 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150805274 186067368 /nfs/dbraw/zinc/06/73/68/186067368.db2.gz OFUCJXVDLNHOPH-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150805274 186067371 /nfs/dbraw/zinc/06/73/71/186067371.db2.gz OFUCJXVDLNHOPH-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP CC[C@@H](C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000163936162 186142685 /nfs/dbraw/zinc/14/26/85/186142685.db2.gz YZPUHGUGSPRXBM-KDOFPFPSSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839210 186261795 /nfs/dbraw/zinc/26/17/95/186261795.db2.gz ALDORJLYOGHPAB-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839210 186261797 /nfs/dbraw/zinc/26/17/97/186261797.db2.gz ALDORJLYOGHPAB-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)cc2)c[nH+]1 ZINC000265984262 186348289 /nfs/dbraw/zinc/34/82/89/186348289.db2.gz CPHZDKQQNMWEML-UHFFFAOYSA-N 2 2 311.429 3.265 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC4(CCOCC4)C3)cc2)c[nH+]1 ZINC000265984262 186348290 /nfs/dbraw/zinc/34/82/90/186348290.db2.gz CPHZDKQQNMWEML-UHFFFAOYSA-N 2 2 311.429 3.265 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268739725 186373720 /nfs/dbraw/zinc/37/37/20/186373720.db2.gz RQXYZUPTJIUQSC-PXNSSMCTSA-N 3 2 315.505 3.113 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268739725 186373722 /nfs/dbraw/zinc/37/37/22/186373722.db2.gz RQXYZUPTJIUQSC-PXNSSMCTSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277247387 213394000 /nfs/dbraw/zinc/39/40/00/213394000.db2.gz QAVSAWXNNYLZND-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277247387 213394001 /nfs/dbraw/zinc/39/40/01/213394001.db2.gz QAVSAWXNNYLZND-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858209 191239341 /nfs/dbraw/zinc/23/93/41/191239341.db2.gz OFZGGMHJEOZVKP-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858209 191239343 /nfs/dbraw/zinc/23/93/43/191239343.db2.gz OFZGGMHJEOZVKP-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858209 191239344 /nfs/dbraw/zinc/23/93/44/191239344.db2.gz OFZGGMHJEOZVKP-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000072858209 191239347 /nfs/dbraw/zinc/23/93/47/191239347.db2.gz OFZGGMHJEOZVKP-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277140427 213321695 /nfs/dbraw/zinc/32/16/95/213321695.db2.gz IZZSLGDCHAKMGC-GOSISDBHSA-N 2 2 317.477 3.165 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277140427 213321698 /nfs/dbraw/zinc/32/16/98/213321698.db2.gz IZZSLGDCHAKMGC-GOSISDBHSA-N 2 2 317.477 3.165 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000277116351 213304157 /nfs/dbraw/zinc/30/41/57/213304157.db2.gz IJUOFMKMBSFFPW-QZTJIDSGSA-N 2 2 319.518 3.166 20 0 DGADLP Clc1ccc(Cl)c(SCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573286 432033946 /nfs/dbraw/zinc/03/39/46/432033946.db2.gz APJDOLDJNIJPPZ-PHIMTYICSA-N 2 2 317.285 3.237 20 0 DGADLP Clc1ccc(Cl)c(SCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573286 432033948 /nfs/dbraw/zinc/03/39/48/432033948.db2.gz APJDOLDJNIJPPZ-PHIMTYICSA-N 2 2 317.285 3.237 20 0 DGADLP CCCc1nc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000131752843 432035447 /nfs/dbraw/zinc/03/54/47/432035447.db2.gz FNGMHAXUVXLVHO-OAHLLOKOSA-N 2 2 303.431 3.144 20 0 DGADLP CCCc1nc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000131752843 432035451 /nfs/dbraw/zinc/03/54/51/432035451.db2.gz FNGMHAXUVXLVHO-OAHLLOKOSA-N 2 2 303.431 3.144 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CS1 ZINC000277087941 213284021 /nfs/dbraw/zinc/28/40/21/213284021.db2.gz GDQMKHZSCSTVMW-MSOLQXFVSA-N 2 2 319.518 3.166 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000179177743 432048172 /nfs/dbraw/zinc/04/81/72/432048172.db2.gz LRBIUUWXGDUGQD-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000179177743 432048174 /nfs/dbraw/zinc/04/81/74/432048174.db2.gz LRBIUUWXGDUGQD-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000179177743 432048177 /nfs/dbraw/zinc/04/81/77/432048177.db2.gz LRBIUUWXGDUGQD-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000179177743 432048179 /nfs/dbraw/zinc/04/81/79/432048179.db2.gz LRBIUUWXGDUGQD-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423360649 291084222 /nfs/dbraw/zinc/08/42/22/291084222.db2.gz QMIBVTSLZTWEDH-MISXGVKJSA-N 2 2 309.251 3.339 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cnccn1 ZINC000164974788 432053242 /nfs/dbraw/zinc/05/32/42/432053242.db2.gz XRYMSIWQSRXTOA-VBQJREDUSA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cnccn1 ZINC000164974788 432053245 /nfs/dbraw/zinc/05/32/45/432053245.db2.gz XRYMSIWQSRXTOA-VBQJREDUSA-N 2 2 316.474 3.272 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)C ZINC000165384252 432055245 /nfs/dbraw/zinc/05/52/45/432055245.db2.gz YOQMWSAZMMJQOR-SFHVURJKSA-N 2 2 308.441 3.051 20 0 DGADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000165331873 432055283 /nfs/dbraw/zinc/05/52/83/432055283.db2.gz DYGVESGQGIROQB-WMZOPIPTSA-N 2 2 301.478 3.462 20 0 DGADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000165331873 432055284 /nfs/dbraw/zinc/05/52/84/432055284.db2.gz DYGVESGQGIROQB-WMZOPIPTSA-N 2 2 301.478 3.462 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000165632970 432056194 /nfs/dbraw/zinc/05/61/94/432056194.db2.gz QFTKLSRYUGUTAQ-HNNXBMFYSA-N 3 2 323.444 3.427 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165979897 432058169 /nfs/dbraw/zinc/05/81/69/432058169.db2.gz HCGPRNFKJDNXJB-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165979897 432058172 /nfs/dbraw/zinc/05/81/72/432058172.db2.gz HCGPRNFKJDNXJB-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000290173916 283180135 /nfs/dbraw/zinc/18/01/35/283180135.db2.gz MYNGQRLMESRCFI-PBHICJAKSA-N 2 2 318.440 3.348 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000290173916 283180137 /nfs/dbraw/zinc/18/01/37/283180137.db2.gz MYNGQRLMESRCFI-PBHICJAKSA-N 2 2 318.440 3.348 20 0 DGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000236987264 202110743 /nfs/dbraw/zinc/11/07/43/202110743.db2.gz OUKJRSYHDPBVDH-ABAIWWIYSA-N 2 2 316.449 3.183 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CCC[NH2+]C1 ZINC000166887734 432063360 /nfs/dbraw/zinc/06/33/60/432063360.db2.gz GZAZQDDHXTYMSH-DZGCQCFKSA-N 2 2 312.417 3.041 20 0 DGADLP C[NH+](C)CCC1CC[NH+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC000133462013 432065001 /nfs/dbraw/zinc/06/50/01/432065001.db2.gz ZBYUGNJLMKGWAN-UHFFFAOYSA-N 2 2 321.412 3.326 20 0 DGADLP Oc1ccc(C2=CC[N@H+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179631071 432065629 /nfs/dbraw/zinc/06/56/29/432065629.db2.gz ZATGOEJOHJQVSJ-UHFFFAOYSA-N 2 2 305.381 3.329 20 0 DGADLP Oc1ccc(C2=CC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179631071 432065630 /nfs/dbraw/zinc/06/56/30/432065630.db2.gz ZATGOEJOHJQVSJ-UHFFFAOYSA-N 2 2 305.381 3.329 20 0 DGADLP CC(C)n1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000179655661 432066746 /nfs/dbraw/zinc/06/67/46/432066746.db2.gz TZRCUZUYTBWAIY-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000179655661 432066749 /nfs/dbraw/zinc/06/67/49/432066749.db2.gz TZRCUZUYTBWAIY-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000133599882 432068340 /nfs/dbraw/zinc/06/83/40/432068340.db2.gz JWWPHWCRRVJIDH-XYPHTWIQSA-N 2 2 310.869 3.394 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655463 432069674 /nfs/dbraw/zinc/06/96/74/432069674.db2.gz UYSJQQJHNFYCSQ-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000168655463 432069678 /nfs/dbraw/zinc/06/96/78/432069678.db2.gz UYSJQQJHNFYCSQ-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP CC(C)COC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000179422188 199032491 /nfs/dbraw/zinc/03/24/91/199032491.db2.gz UKJPKKSUEIVDNA-MRXNPFEDSA-N 2 2 313.401 3.431 20 0 DGADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000179666193 199072641 /nfs/dbraw/zinc/07/26/41/199072641.db2.gz DINLMTZNBXYOBM-GOSISDBHSA-N 2 2 315.417 3.031 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000179835188 199085743 /nfs/dbraw/zinc/08/57/43/199085743.db2.gz QNUKUAREGULMFM-UHFFFAOYSA-N 2 2 316.424 3.178 20 0 DGADLP c1coc(C[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H]2CCCO2)c1 ZINC000179838443 199086759 /nfs/dbraw/zinc/08/67/59/199086759.db2.gz CYAXKRAIDYCCOW-KRWDZBQOSA-N 2 2 311.385 3.109 20 0 DGADLP c1coc(C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H]2CCCO2)c1 ZINC000179838443 199086761 /nfs/dbraw/zinc/08/67/61/199086761.db2.gz CYAXKRAIDYCCOW-KRWDZBQOSA-N 2 2 311.385 3.109 20 0 DGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000179878262 199090583 /nfs/dbraw/zinc/09/05/83/199090583.db2.gz MVWSKXLIKVHEEY-FUHWJXTLSA-N 2 2 302.462 3.359 20 0 DGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000179878262 199090585 /nfs/dbraw/zinc/09/05/85/199090585.db2.gz MVWSKXLIKVHEEY-FUHWJXTLSA-N 2 2 302.462 3.359 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000180610895 199184329 /nfs/dbraw/zinc/18/43/29/199184329.db2.gz AJDLLUFYAYMYPJ-ABAIWWIYSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000180610895 199184330 /nfs/dbraw/zinc/18/43/30/199184330.db2.gz AJDLLUFYAYMYPJ-ABAIWWIYSA-N 2 2 309.335 3.384 20 0 DGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(F)c1 ZINC000415060906 237045481 /nfs/dbraw/zinc/04/54/81/237045481.db2.gz ZIHLBSCTNXEGLF-IXWMDQSNSA-N 2 2 314.379 3.323 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(F)cc1Br)C1CCCC1 ZINC000415043615 237032077 /nfs/dbraw/zinc/03/20/77/237032077.db2.gz ASBAQXJJGCVGPJ-AWEZNQCLSA-N 2 2 315.230 3.195 20 0 DGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000415085262 237067619 /nfs/dbraw/zinc/06/76/19/237067619.db2.gz SEAUXEIWDIZNBL-WFASDCNBSA-N 2 2 301.459 3.439 20 0 DGADLP Cc1[nH+]cc(CN2C[C@H]([NH3+])Cc3ccccc32)n1-c1ccccc1 ZINC000415137920 237108673 /nfs/dbraw/zinc/10/86/73/237108673.db2.gz OCRZWEYPEOAZRA-QGZVFWFLSA-N 2 2 318.424 3.071 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)n2c1 ZINC000187504206 200120885 /nfs/dbraw/zinc/12/08/85/200120885.db2.gz SDAPZSORLUEBOX-UHFFFAOYSA-N 2 2 309.413 3.160 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036679 216035779 /nfs/dbraw/zinc/03/57/79/216035779.db2.gz GMYILRXGZWOLLS-VYUIOLGVSA-N 2 2 304.331 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036679 216035780 /nfs/dbraw/zinc/03/57/80/216035780.db2.gz GMYILRXGZWOLLS-VYUIOLGVSA-N 2 2 304.331 3.061 20 0 DGADLP C[C@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCC[NH2+]1 ZINC000237629984 202311410 /nfs/dbraw/zinc/31/14/10/202311410.db2.gz GKBRHFNUHDWLCQ-GOSISDBHSA-N 2 2 311.385 3.345 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1OC(F)F ZINC000423369634 237844911 /nfs/dbraw/zinc/84/49/11/237844911.db2.gz GBNXUPPBTBRNCW-CWSCBRNRSA-N 2 2 302.340 3.218 20 0 DGADLP O[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000189311451 200380644 /nfs/dbraw/zinc/38/06/44/200380644.db2.gz DYCFGUPYOFSNLU-PBHICJAKSA-N 2 2 322.880 3.055 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1(c2ccccc2)CC1 ZINC000189317751 200381546 /nfs/dbraw/zinc/38/15/46/200381546.db2.gz LRXHBPFBFNKHSQ-UHFFFAOYSA-N 2 2 318.424 3.431 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1(c2ccccc2)CC1 ZINC000189317751 200381548 /nfs/dbraw/zinc/38/15/48/200381548.db2.gz LRXHBPFBFNKHSQ-UHFFFAOYSA-N 2 2 318.424 3.431 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)sc1Cl ZINC000423518484 237855947 /nfs/dbraw/zinc/85/59/47/237855947.db2.gz OSJPSKWFKWMOPC-DTWKUNHWSA-N 2 2 309.262 3.084 20 0 DGADLP c1cc2[nH+]ccc(NC3CC[NH+](CC4CCCC4)CC3)c2cn1 ZINC000428150234 238010362 /nfs/dbraw/zinc/01/03/62/238010362.db2.gz JGINXFXYQXEMGO-UHFFFAOYSA-N 2 2 310.445 3.118 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430549274 238079325 /nfs/dbraw/zinc/07/93/25/238079325.db2.gz NGHOVUKRAAGHBI-RDBSUJKOSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430549274 238079326 /nfs/dbraw/zinc/07/93/26/238079326.db2.gz NGHOVUKRAAGHBI-RDBSUJKOSA-N 2 2 323.868 3.035 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430569600 238080009 /nfs/dbraw/zinc/08/00/09/238080009.db2.gz LXDWUQNNCCWUJI-LLVKDONJSA-N 2 2 310.392 3.409 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430569600 238080010 /nfs/dbraw/zinc/08/00/10/238080010.db2.gz LXDWUQNNCCWUJI-LLVKDONJSA-N 2 2 310.392 3.409 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C1CC1 ZINC000430571924 238080476 /nfs/dbraw/zinc/08/04/76/238080476.db2.gz DRPFAQWVANRMTE-INIZCTEOSA-N 2 2 305.422 3.166 20 0 DGADLP Cc1cc(-c2noc([C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])n2)ccc1F ZINC000430596816 238081148 /nfs/dbraw/zinc/08/11/48/238081148.db2.gz POPSECZRMQITIM-GFCCVEGCSA-N 2 2 320.412 3.162 20 0 DGADLP Cc1cc(-c2noc([C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])n2)ccc1F ZINC000430596816 238081149 /nfs/dbraw/zinc/08/11/49/238081149.db2.gz POPSECZRMQITIM-GFCCVEGCSA-N 2 2 320.412 3.162 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)C1CC1 ZINC000430596055 238081511 /nfs/dbraw/zinc/08/15/11/238081511.db2.gz NPMRNFBFQQJUKW-MRXNPFEDSA-N 2 2 305.809 3.212 20 0 DGADLP Cc1nc(C[N@@H+](C)C2CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000430640023 238082114 /nfs/dbraw/zinc/08/21/14/238082114.db2.gz JDJILGOIHXBRPX-UHFFFAOYSA-N 2 2 319.836 3.487 20 0 DGADLP Cc1nc(C[N@H+](C)C2CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000430640023 238082115 /nfs/dbraw/zinc/08/21/15/238082115.db2.gz JDJILGOIHXBRPX-UHFFFAOYSA-N 2 2 319.836 3.487 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430936305 238090542 /nfs/dbraw/zinc/09/05/42/238090542.db2.gz UABXZFMONIFZNR-AYOQOUSVSA-N 2 2 323.440 3.036 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430936305 238090543 /nfs/dbraw/zinc/09/05/43/238090543.db2.gz UABXZFMONIFZNR-AYOQOUSVSA-N 2 2 323.440 3.036 20 0 DGADLP Cc1cc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)c(C)s1 ZINC000434658783 238225259 /nfs/dbraw/zinc/22/52/59/238225259.db2.gz IMUQHEVFPGMDMS-UHFFFAOYSA-N 2 2 307.488 3.412 20 0 DGADLP COCCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000442766745 239121433 /nfs/dbraw/zinc/12/14/33/239121433.db2.gz LMZMRTIOJGTVHG-CCKFTAQKSA-N 2 2 320.452 3.366 20 0 DGADLP COCCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000442766745 239121438 /nfs/dbraw/zinc/12/14/38/239121438.db2.gz LMZMRTIOJGTVHG-CCKFTAQKSA-N 2 2 320.452 3.366 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000195070427 201334627 /nfs/dbraw/zinc/33/46/27/201334627.db2.gz UURXBEACHAISAO-MAUKXSAKSA-N 2 2 306.450 3.244 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000195120092 201342578 /nfs/dbraw/zinc/34/25/78/201342578.db2.gz XEHXXUYZJCYYRG-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000195120092 201342579 /nfs/dbraw/zinc/34/25/79/201342579.db2.gz XEHXXUYZJCYYRG-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000189890409 432102846 /nfs/dbraw/zinc/10/28/46/432102846.db2.gz JKTUPWWGPJPRHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000189890409 432102854 /nfs/dbraw/zinc/10/28/54/432102854.db2.gz JKTUPWWGPJPRHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000189890409 432102858 /nfs/dbraw/zinc/10/28/58/432102858.db2.gz JKTUPWWGPJPRHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000189890409 432102863 /nfs/dbraw/zinc/10/28/63/432102863.db2.gz JKTUPWWGPJPRHW-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCC34CCC4)[nH+]c2)C1 ZINC000449202508 240065883 /nfs/dbraw/zinc/06/58/83/240065883.db2.gz FTTITMGEJLSZIY-DLBZAZTESA-N 2 2 314.477 3.357 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449399290 240173939 /nfs/dbraw/zinc/17/39/39/240173939.db2.gz ZLEPCZGFFJGSBT-RLFYNMQTSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449399290 240173946 /nfs/dbraw/zinc/17/39/46/240173946.db2.gz ZLEPCZGFFJGSBT-RLFYNMQTSA-N 2 2 324.896 3.268 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000449397164 240174873 /nfs/dbraw/zinc/17/48/73/240174873.db2.gz OPKRONSTUSJHQH-HWOWSKLDSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000449397164 240174877 /nfs/dbraw/zinc/17/48/77/240174877.db2.gz OPKRONSTUSJHQH-HWOWSKLDSA-N 2 2 322.880 3.022 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000449401871 240176111 /nfs/dbraw/zinc/17/61/11/240176111.db2.gz IXTASUKNEVOQEO-UZLBHIALSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)ccn1 ZINC000449401871 240176113 /nfs/dbraw/zinc/17/61/13/240176113.db2.gz IXTASUKNEVOQEO-UZLBHIALSA-N 2 2 309.457 3.390 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1cc(F)cc(F)c1 ZINC000449325064 240131309 /nfs/dbraw/zinc/13/13/09/240131309.db2.gz JOOLCXQWAGOHOF-CHWSQXEVSA-N 2 2 305.372 3.291 20 0 DGADLP CC[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449432267 240200541 /nfs/dbraw/zinc/20/05/41/240200541.db2.gz GOGHZLHXBNWOLK-ZWKOTPCHSA-N 2 2 301.478 3.462 20 0 DGADLP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449432265 240201418 /nfs/dbraw/zinc/20/14/18/240201418.db2.gz GOGHZLHXBNWOLK-QZTJIDSGSA-N 2 2 301.478 3.462 20 0 DGADLP COc1ncc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1Cl ZINC000449460290 240220557 /nfs/dbraw/zinc/22/05/57/240220557.db2.gz NNZOYIWVZPAXEF-UHFFFAOYSA-N 2 2 305.809 3.169 20 0 DGADLP CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000449509428 240255410 /nfs/dbraw/zinc/25/54/10/240255410.db2.gz OOWQGMIPDMXMLJ-RTBURBONSA-N 2 2 315.461 3.251 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560578 240290151 /nfs/dbraw/zinc/29/01/51/240290151.db2.gz MXTDBHCFLJEGDZ-PANBIXPWSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560578 240290159 /nfs/dbraw/zinc/29/01/59/240290159.db2.gz MXTDBHCFLJEGDZ-PANBIXPWSA-N 3 2 319.537 3.244 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449635311 240333765 /nfs/dbraw/zinc/33/37/65/240333765.db2.gz BODPVWJHRVZMJY-BVBHFADKSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449635311 240333772 /nfs/dbraw/zinc/33/37/72/240333772.db2.gz BODPVWJHRVZMJY-BVBHFADKSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCCC3(C)C)c2cc1C ZINC000180936466 432106711 /nfs/dbraw/zinc/10/67/11/432106711.db2.gz IANOUUBOGAXWKA-YJBOKZPZSA-N 2 2 315.461 3.182 20 0 DGADLP CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)ccc1OC ZINC000091892535 193123331 /nfs/dbraw/zinc/12/33/31/193123331.db2.gz XQVCTPJJAFYROP-SJORKVTESA-N 2 2 318.461 3.153 20 0 DGADLP CCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)ccc1OC ZINC000091892535 193123332 /nfs/dbraw/zinc/12/33/32/193123332.db2.gz XQVCTPJJAFYROP-SJORKVTESA-N 2 2 318.461 3.153 20 0 DGADLP CCOc1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)ccc1OC ZINC000091892535 193123333 /nfs/dbraw/zinc/12/33/33/193123333.db2.gz XQVCTPJJAFYROP-SJORKVTESA-N 2 2 318.461 3.153 20 0 DGADLP CCOc1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)ccc1OC ZINC000091892535 193123334 /nfs/dbraw/zinc/12/33/34/193123334.db2.gz XQVCTPJJAFYROP-SJORKVTESA-N 2 2 318.461 3.153 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(C)o1 ZINC000091892370 193123339 /nfs/dbraw/zinc/12/33/39/193123339.db2.gz JPILKPNFSHSJTE-CVEARBPZSA-N 2 2 314.433 3.037 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(C)o1 ZINC000091892370 193123340 /nfs/dbraw/zinc/12/33/40/193123340.db2.gz JPILKPNFSHSJTE-CVEARBPZSA-N 2 2 314.433 3.037 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccc(C)o1 ZINC000091892370 193123341 /nfs/dbraw/zinc/12/33/41/193123341.db2.gz JPILKPNFSHSJTE-CVEARBPZSA-N 2 2 314.433 3.037 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccc(C)o1 ZINC000091892370 193123342 /nfs/dbraw/zinc/12/33/42/193123342.db2.gz JPILKPNFSHSJTE-CVEARBPZSA-N 2 2 314.433 3.037 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487046 242214684 /nfs/dbraw/zinc/21/46/84/242214684.db2.gz SBXVYLGVXFBJEG-DOMZBBRYSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487046 242214689 /nfs/dbraw/zinc/21/46/89/242214689.db2.gz SBXVYLGVXFBJEG-DOMZBBRYSA-N 2 2 318.465 3.249 20 0 DGADLP Fc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1F ZINC000107038068 284051588 /nfs/dbraw/zinc/05/15/88/284051588.db2.gz GXQBFVJGMLEPEV-UHFFFAOYSA-N 2 2 303.356 3.118 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+](C)CCc1c[nH+]cn1C ZINC000459320629 243333458 /nfs/dbraw/zinc/33/34/58/243333458.db2.gz FMCGZARTEVWSGY-GFCCVEGCSA-N 2 2 322.250 3.418 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459320629 243333459 /nfs/dbraw/zinc/33/34/59/243333459.db2.gz FMCGZARTEVWSGY-GFCCVEGCSA-N 2 2 322.250 3.418 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459441628 243370939 /nfs/dbraw/zinc/37/09/39/243370939.db2.gz IASVRDUJNBQQGN-UHFFFAOYSA-N 2 2 324.896 3.362 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000184513447 296126468 /nfs/dbraw/zinc/12/64/68/296126468.db2.gz IFEMNOQQQQIDAR-JKSUJKDBSA-N 2 2 314.477 3.488 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642120 299396293 /nfs/dbraw/zinc/39/62/93/299396293.db2.gz NJHDZMILXRBWRK-TWOQFEAHSA-N 2 2 313.489 3.420 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642120 299396297 /nfs/dbraw/zinc/39/62/97/299396297.db2.gz NJHDZMILXRBWRK-TWOQFEAHSA-N 2 2 313.489 3.420 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468368482 244038255 /nfs/dbraw/zinc/03/82/55/244038255.db2.gz UIHMEUNQSQYYAS-YLJYHZDGSA-N 2 2 324.468 3.435 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000468368482 244038261 /nfs/dbraw/zinc/03/82/61/244038261.db2.gz UIHMEUNQSQYYAS-YLJYHZDGSA-N 2 2 324.468 3.435 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468556436 244051984 /nfs/dbraw/zinc/05/19/84/244051984.db2.gz SRESVADIWZNHSE-XLIONFOSSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468556436 244051987 /nfs/dbraw/zinc/05/19/87/244051987.db2.gz SRESVADIWZNHSE-XLIONFOSSA-N 2 2 316.489 3.303 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000471582725 244219169 /nfs/dbraw/zinc/21/91/69/244219169.db2.gz QNJDWJZWCJQDBL-WZGPROSRSA-N 2 2 304.478 3.471 20 0 DGADLP CCn1nc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c2ccccc21 ZINC000472068527 244279809 /nfs/dbraw/zinc/27/98/09/244279809.db2.gz FTKXOQYOTAQXQK-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000474091405 244369971 /nfs/dbraw/zinc/36/99/71/244369971.db2.gz WTHRPMBTYPSAIZ-KXBFYZLASA-N 2 2 302.462 3.356 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000474091405 244369975 /nfs/dbraw/zinc/36/99/75/244369975.db2.gz WTHRPMBTYPSAIZ-KXBFYZLASA-N 2 2 302.462 3.356 20 0 DGADLP Cc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc[nH+]1 ZINC000119861624 284154039 /nfs/dbraw/zinc/15/40/39/284154039.db2.gz RKEWEIZMQXTLFJ-SFHVURJKSA-N 2 2 324.428 3.349 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404965 193245703 /nfs/dbraw/zinc/24/57/03/193245703.db2.gz NEBZTGDPEZJMHG-WBVHZDCISA-N 2 2 315.486 3.358 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccs1 ZINC000093404965 193245705 /nfs/dbraw/zinc/24/57/05/193245705.db2.gz NEBZTGDPEZJMHG-WBVHZDCISA-N 2 2 315.486 3.358 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597095 193272537 /nfs/dbraw/zinc/27/25/37/193272537.db2.gz YVQPNBKPXFWXDF-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597095 193272539 /nfs/dbraw/zinc/27/25/39/193272539.db2.gz YVQPNBKPXFWXDF-SFHVURJKSA-N 2 2 324.472 3.098 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770047 193302607 /nfs/dbraw/zinc/30/26/07/193302607.db2.gz CTBBKOLJDRZTTE-KRWDZBQOSA-N 2 2 320.477 3.256 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770047 193302610 /nfs/dbraw/zinc/30/26/10/193302610.db2.gz CTBBKOLJDRZTTE-KRWDZBQOSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770047 193302612 /nfs/dbraw/zinc/30/26/12/193302612.db2.gz CTBBKOLJDRZTTE-KRWDZBQOSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000093770047 193302613 /nfs/dbraw/zinc/30/26/13/193302613.db2.gz CTBBKOLJDRZTTE-KRWDZBQOSA-N 2 2 320.477 3.256 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1N(C)C ZINC000093942081 193331324 /nfs/dbraw/zinc/33/13/24/193331324.db2.gz KKPYFBNWYKFISG-OAHLLOKOSA-N 2 2 308.429 3.294 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000480269071 244704203 /nfs/dbraw/zinc/70/42/03/244704203.db2.gz ULQDPAJVZMINIY-KURKYZTESA-N 2 2 304.478 3.453 20 0 DGADLP CN(C)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000121785489 284205799 /nfs/dbraw/zinc/20/57/99/284205799.db2.gz KTFAJGGPQFOHOA-UHFFFAOYSA-N 2 2 310.445 3.224 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331119 284217573 /nfs/dbraw/zinc/21/75/73/284217573.db2.gz MHXZRMMLDCLNMG-RISCZKNCSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331119 284217574 /nfs/dbraw/zinc/21/75/74/284217574.db2.gz MHXZRMMLDCLNMG-RISCZKNCSA-N 2 2 309.251 3.164 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000486980665 245009899 /nfs/dbraw/zinc/00/98/99/245009899.db2.gz KKJTYJUBQUFBTE-AEFFLSMTSA-N 2 2 324.472 3.344 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000486980665 245009903 /nfs/dbraw/zinc/00/99/03/245009903.db2.gz KKJTYJUBQUFBTE-AEFFLSMTSA-N 2 2 324.472 3.344 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000122296347 284216708 /nfs/dbraw/zinc/21/67/08/284216708.db2.gz AFTGCJGRTSNTBZ-SMDDNHRTSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122296347 284216710 /nfs/dbraw/zinc/21/67/10/284216710.db2.gz AFTGCJGRTSNTBZ-SMDDNHRTSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccsc1Br ZINC000282444750 217000069 /nfs/dbraw/zinc/00/00/69/217000069.db2.gz NJWWOYVRPXLCEX-FOGDFJRCSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccsc1Br ZINC000282444750 217000071 /nfs/dbraw/zinc/00/00/71/217000071.db2.gz NJWWOYVRPXLCEX-FOGDFJRCSA-N 2 2 317.296 3.329 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000282444522 217000187 /nfs/dbraw/zinc/00/01/87/217000187.db2.gz FBTDYLAOQZQTLF-GTAWCEEGSA-N 2 2 316.489 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000282444522 217000189 /nfs/dbraw/zinc/00/01/89/217000189.db2.gz FBTDYLAOQZQTLF-GTAWCEEGSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)C[NH+]1CCOCC1 ZINC000123291455 284235601 /nfs/dbraw/zinc/23/56/01/284235601.db2.gz ZBJFKLIDBZYIKO-BHIYHBOVSA-N 2 2 316.489 3.127 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489805505 245350080 /nfs/dbraw/zinc/35/00/80/245350080.db2.gz YRMBCJNKTBVQNP-HLIPFELVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489805505 245350088 /nfs/dbraw/zinc/35/00/88/245350088.db2.gz YRMBCJNKTBVQNP-HLIPFELVSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000282467761 217018295 /nfs/dbraw/zinc/01/82/95/217018295.db2.gz GHKJVJMVFKDSMA-PBWTXFEYSA-N 2 2 304.478 3.473 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC)c(OC)c1 ZINC000268769599 432131493 /nfs/dbraw/zinc/13/14/93/432131493.db2.gz LCUQHXPJMCRXRM-ULQDDVLXSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC)c(OC)c1 ZINC000268769599 432131495 /nfs/dbraw/zinc/13/14/95/432131495.db2.gz LCUQHXPJMCRXRM-ULQDDVLXSA-N 2 2 318.461 3.371 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(F)cc1Br ZINC000020043126 182183139 /nfs/dbraw/zinc/18/31/39/182183139.db2.gz QYMJBLWJMACBNF-UHFFFAOYSA-N 2 2 317.246 3.266 20 0 DGADLP Fc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020128902 182189846 /nfs/dbraw/zinc/18/98/46/182189846.db2.gz OYMOALZCRSMVHA-UHFFFAOYSA-N 2 2 315.230 3.164 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642110 246030870 /nfs/dbraw/zinc/03/08/70/246030870.db2.gz NJHDZMILXRBWRK-GQIGUUNPSA-N 2 2 313.489 3.420 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(N2CCCC2)c1 ZINC000493642110 246030874 /nfs/dbraw/zinc/03/08/74/246030874.db2.gz NJHDZMILXRBWRK-GQIGUUNPSA-N 2 2 313.489 3.420 20 0 DGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493945036 246097950 /nfs/dbraw/zinc/09/79/50/246097950.db2.gz NEBGUBITBFEASM-HSFUPAIVSA-N 2 2 306.494 3.187 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(-c3cccnc3)c1)CC2 ZINC000494423944 246146903 /nfs/dbraw/zinc/14/69/03/246146903.db2.gz GPCVILVJXYWZPA-GOSISDBHSA-N 2 2 304.397 3.050 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)CC2 ZINC000494438774 246147994 /nfs/dbraw/zinc/14/79/94/246147994.db2.gz XZRDULRCQUTUKI-INIZCTEOSA-N 2 2 311.429 3.309 20 0 DGADLP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267436281 206065589 /nfs/dbraw/zinc/06/55/89/206065589.db2.gz NYNVBPZMLKXDDZ-OAHLLOKOSA-N 2 2 315.417 3.067 20 0 DGADLP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267436281 206065594 /nfs/dbraw/zinc/06/55/94/206065594.db2.gz NYNVBPZMLKXDDZ-OAHLLOKOSA-N 2 2 315.417 3.067 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(C3CCCC3)s1)CC2 ZINC000494411448 246144204 /nfs/dbraw/zinc/14/42/04/246144204.db2.gz JCRWHUBDKUIMCH-ZDUSSCGKSA-N 2 2 302.447 3.102 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(-c3ccccn3)c1)CC2 ZINC000494410479 246144623 /nfs/dbraw/zinc/14/46/23/246144623.db2.gz KFDRSEBRUUKVCH-QGZVFWFLSA-N 2 2 304.397 3.050 20 0 DGADLP c1csc(-c2ncc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000494407315 246145404 /nfs/dbraw/zinc/14/54/04/246145404.db2.gz TUOKLCPYZNVEHG-LLVKDONJSA-N 2 2 316.455 3.173 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000494693006 246182535 /nfs/dbraw/zinc/18/25/35/246182535.db2.gz GQURBELUBMJQNN-LSDHHAIUSA-N 2 2 321.465 3.214 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267538583 206132206 /nfs/dbraw/zinc/13/22/06/206132206.db2.gz WXMOWMZHDVEZMS-KBXCAEBGSA-N 2 2 313.445 3.434 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267538583 206132209 /nfs/dbraw/zinc/13/22/09/206132209.db2.gz WXMOWMZHDVEZMS-KBXCAEBGSA-N 2 2 313.445 3.434 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2ccccc2)no1 ZINC000267619442 206179074 /nfs/dbraw/zinc/17/90/74/206179074.db2.gz PWRIUFDYCCVTQR-SJORKVTESA-N 2 2 311.429 3.400 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2ccccc2)no1 ZINC000267619442 206179077 /nfs/dbraw/zinc/17/90/77/206179077.db2.gz PWRIUFDYCCVTQR-SJORKVTESA-N 2 2 311.429 3.400 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000267619442 206179079 /nfs/dbraw/zinc/17/90/79/206179079.db2.gz PWRIUFDYCCVTQR-SJORKVTESA-N 2 2 311.429 3.400 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000267619442 206179083 /nfs/dbraw/zinc/17/90/83/206179083.db2.gz PWRIUFDYCCVTQR-SJORKVTESA-N 2 2 311.429 3.400 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246491146 432138230 /nfs/dbraw/zinc/13/82/30/432138230.db2.gz RWLLCGMTNLWUCU-YWTNHNAXSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246491146 432138234 /nfs/dbraw/zinc/13/82/34/432138234.db2.gz RWLLCGMTNLWUCU-YWTNHNAXSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002060 206388149 /nfs/dbraw/zinc/38/81/49/206388149.db2.gz BPOKGIAVWMNPLZ-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268002060 206388154 /nfs/dbraw/zinc/38/81/54/206388154.db2.gz BPOKGIAVWMNPLZ-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000040600488 183108059 /nfs/dbraw/zinc/10/80/59/183108059.db2.gz WQYCKWFJNULJEQ-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000040600488 183108064 /nfs/dbraw/zinc/10/80/64/183108064.db2.gz WQYCKWFJNULJEQ-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CCCC1 ZINC000421800882 284747552 /nfs/dbraw/zinc/74/75/52/284747552.db2.gz JGNROFOQCSBXDL-FUHWJXTLSA-N 2 2 304.478 3.097 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000285048827 218271123 /nfs/dbraw/zinc/27/11/23/218271123.db2.gz NZSXEEWERBTAGD-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000285048827 218271126 /nfs/dbraw/zinc/27/11/26/218271126.db2.gz NZSXEEWERBTAGD-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000245505872 284818114 /nfs/dbraw/zinc/81/81/14/284818114.db2.gz MVHNRYJUZRCJOX-YXJHDRRASA-N 2 2 302.462 3.101 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000109787628 194284351 /nfs/dbraw/zinc/28/43/51/194284351.db2.gz JBPVMHGDDVKYPW-UHFFFAOYSA-N 2 2 323.868 3.085 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000109787628 194284352 /nfs/dbraw/zinc/28/43/52/194284352.db2.gz JBPVMHGDDVKYPW-UHFFFAOYSA-N 2 2 323.868 3.085 20 0 DGADLP Brc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792170 194284549 /nfs/dbraw/zinc/28/45/49/194284549.db2.gz WLCMHURAPCRPKZ-UHFFFAOYSA-N 2 2 320.234 3.483 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000109787386 194285396 /nfs/dbraw/zinc/28/53/96/194285396.db2.gz PIEZHYXULVSPEH-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC000109787386 194285399 /nfs/dbraw/zinc/28/53/99/194285399.db2.gz PIEZHYXULVSPEH-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CC(C)(C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268840622 207006308 /nfs/dbraw/zinc/00/63/08/207006308.db2.gz ADENTPGWCUCJAR-QGZVFWFLSA-N 2 2 324.896 3.301 20 0 DGADLP CC(C)c1nc(NCc2ccccc2OCC[NH+](C)C)cc[nH+]1 ZINC000110380541 194325958 /nfs/dbraw/zinc/32/59/58/194325958.db2.gz NNSRXEWMDUAPSI-UHFFFAOYSA-N 2 2 314.433 3.153 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268892654 207063417 /nfs/dbraw/zinc/06/34/17/207063417.db2.gz JPOPQOOFTHOAFK-NVXWUHKLSA-N 2 2 321.534 3.084 20 0 DGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268892654 207063421 /nfs/dbraw/zinc/06/34/21/207063421.db2.gz JPOPQOOFTHOAFK-NVXWUHKLSA-N 2 2 321.534 3.084 20 0 DGADLP C[C@@H](O)C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268992542 207149615 /nfs/dbraw/zinc/14/96/15/207149615.db2.gz MXQBCTLBRBLSDD-HUUCEWRRSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020779 207171440 /nfs/dbraw/zinc/17/14/40/207171440.db2.gz PXWAECRQOBTMEU-GQIGUUNPSA-N 2 2 324.472 3.065 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cnn(Cc2ccccc2)c1 ZINC000269020779 207171445 /nfs/dbraw/zinc/17/14/45/207171445.db2.gz PXWAECRQOBTMEU-GQIGUUNPSA-N 2 2 324.472 3.065 20 0 DGADLP CSC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423191760 295612252 /nfs/dbraw/zinc/61/22/52/295612252.db2.gz PFDOUYNTKLKBLZ-UONOGXRCSA-N 2 2 318.408 3.451 20 0 DGADLP C[C@@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269121917 207257429 /nfs/dbraw/zinc/25/74/29/207257429.db2.gz FWLFGHAMRYXPNF-RHSMWYFYSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000248681668 285017791 /nfs/dbraw/zinc/01/77/91/285017791.db2.gz WVSJCZFZPLXWDG-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000248681668 285017794 /nfs/dbraw/zinc/01/77/94/285017794.db2.gz WVSJCZFZPLXWDG-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@H](C(C)(C)C)C3)n2c1 ZINC000270695757 252809514 /nfs/dbraw/zinc/80/95/14/252809514.db2.gz WXCVHZDOHOQCSH-HOCLYGCPSA-N 2 2 301.434 3.326 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1nc2ccccc2n1C ZINC000119856460 195049710 /nfs/dbraw/zinc/04/97/10/195049710.db2.gz DCZRDVCHTYBPCI-CQSZACIVSA-N 2 2 314.477 3.487 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000119888219 195055997 /nfs/dbraw/zinc/05/59/97/195055997.db2.gz MRMITBNPDNEVMI-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1F ZINC000119888219 195056000 /nfs/dbraw/zinc/05/60/00/195056000.db2.gz MRMITBNPDNEVMI-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000119942863 195066890 /nfs/dbraw/zinc/06/68/90/195066890.db2.gz NJKSCHWJBIDDLY-JTDSTZFVSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000119942863 195066892 /nfs/dbraw/zinc/06/68/92/195066892.db2.gz NJKSCHWJBIDDLY-JTDSTZFVSA-N 2 2 302.462 3.071 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000336854476 253008951 /nfs/dbraw/zinc/00/89/51/253008951.db2.gz OZNJYRNGPWXBID-INIZCTEOSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000336854476 253008953 /nfs/dbraw/zinc/00/89/53/253008953.db2.gz OZNJYRNGPWXBID-INIZCTEOSA-N 2 2 305.397 3.286 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336871420 253015519 /nfs/dbraw/zinc/01/55/19/253015519.db2.gz GCZYZLYOQLHOAH-OAHLLOKOSA-N 2 2 307.397 3.215 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C(c2ccccc2)c2ccccc2)n1C ZINC000336877850 253017464 /nfs/dbraw/zinc/01/74/64/253017464.db2.gz XYEKVPDIFZKYQD-UHFFFAOYSA-N 2 2 320.440 3.365 20 0 DGADLP COCC1(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000337270831 253074839 /nfs/dbraw/zinc/07/48/39/253074839.db2.gz ZZYBRSRASYIXNF-SJLPKXTDSA-N 2 2 302.462 3.228 20 0 DGADLP COCC1(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000337270831 253074840 /nfs/dbraw/zinc/07/48/40/253074840.db2.gz ZZYBRSRASYIXNF-SJLPKXTDSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391569 253104414 /nfs/dbraw/zinc/10/44/14/253104414.db2.gz HHCIIWLHBUAFDF-BFUOFWGJSA-N 2 2 315.436 3.312 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391569 253104417 /nfs/dbraw/zinc/10/44/17/253104417.db2.gz HHCIIWLHBUAFDF-BFUOFWGJSA-N 2 2 315.436 3.312 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337458912 253119960 /nfs/dbraw/zinc/11/99/60/253119960.db2.gz JWULIGYEYSXVAE-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337458912 253119962 /nfs/dbraw/zinc/11/99/62/253119962.db2.gz JWULIGYEYSXVAE-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CCC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000337502166 253129036 /nfs/dbraw/zinc/12/90/36/253129036.db2.gz BTJJPECIVIGROU-KGLIPLIRSA-N 2 2 322.416 3.449 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCc4ccccc4OC3)cc2)c[nH+]1 ZINC000337863494 253186098 /nfs/dbraw/zinc/18/60/98/253186098.db2.gz NFYLCKQPLJAXHB-SFHVURJKSA-N 2 2 319.408 3.356 20 0 DGADLP C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338022942 253212131 /nfs/dbraw/zinc/21/21/31/253212131.db2.gz ZCAWXTIJOMFNBG-YJBOKZPZSA-N 2 2 313.445 3.464 20 0 DGADLP c1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000337987389 253205056 /nfs/dbraw/zinc/20/50/56/253205056.db2.gz KHJUPMARHXZIKS-UXHICEINSA-N 2 2 314.473 3.187 20 0 DGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000338166759 253235208 /nfs/dbraw/zinc/23/52/08/253235208.db2.gz PMBCWIXPEMSSNA-HNNXBMFYSA-N 2 2 303.356 3.439 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338373283 253276185 /nfs/dbraw/zinc/27/61/85/253276185.db2.gz QKDHJGILFYORQS-OAHLLOKOSA-N 2 2 309.404 3.338 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831519 197304888 /nfs/dbraw/zinc/30/48/88/197304888.db2.gz MSEWIANXUGRJAN-CJNGLKHVSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831519 197304890 /nfs/dbraw/zinc/30/48/90/197304890.db2.gz MSEWIANXUGRJAN-CJNGLKHVSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831519 197304892 /nfs/dbraw/zinc/30/48/92/197304892.db2.gz MSEWIANXUGRJAN-CJNGLKHVSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831519 197304893 /nfs/dbraw/zinc/30/48/93/197304893.db2.gz MSEWIANXUGRJAN-CJNGLKHVSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831389 197304856 /nfs/dbraw/zinc/30/48/56/197304856.db2.gz MSEWIANXUGRJAN-BBRMVZONSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831389 197304857 /nfs/dbraw/zinc/30/48/57/197304857.db2.gz MSEWIANXUGRJAN-BBRMVZONSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831389 197304858 /nfs/dbraw/zinc/30/48/58/197304858.db2.gz MSEWIANXUGRJAN-BBRMVZONSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)CC[C@@H]21 ZINC000158831389 197304859 /nfs/dbraw/zinc/30/48/59/197304859.db2.gz MSEWIANXUGRJAN-BBRMVZONSA-N 2 2 317.458 3.319 20 0 DGADLP CC[NH+](CC)CC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339023384 253390842 /nfs/dbraw/zinc/39/08/42/253390842.db2.gz RQTJUQOEEJQWSW-UHFFFAOYSA-N 2 2 304.482 3.467 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@]1(C)CCCO1 ZINC000340210563 253581486 /nfs/dbraw/zinc/58/14/86/253581486.db2.gz WLWIFGLSLPTIEQ-SUMWQHHRSA-N 2 2 303.381 3.059 20 0 DGADLP Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120279941 195134738 /nfs/dbraw/zinc/13/47/38/195134738.db2.gz XJZXEYKYEFFCTO-UHFFFAOYSA-N 2 2 314.820 3.496 20 0 DGADLP Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120279941 195134740 /nfs/dbraw/zinc/13/47/40/195134740.db2.gz XJZXEYKYEFFCTO-UHFFFAOYSA-N 2 2 314.820 3.496 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@@H]21 ZINC000342098756 253926277 /nfs/dbraw/zinc/92/62/77/253926277.db2.gz IWUJUWZQLGXQCK-KWCYVHTRSA-N 2 2 319.499 3.431 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@@H]21 ZINC000342098756 253926279 /nfs/dbraw/zinc/92/62/79/253926279.db2.gz IWUJUWZQLGXQCK-KWCYVHTRSA-N 2 2 319.499 3.431 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000342557578 254007136 /nfs/dbraw/zinc/00/71/36/254007136.db2.gz XYMOVSJKJROVOR-MRXNPFEDSA-N 2 2 318.461 3.063 20 0 DGADLP c1cn2c(cccc2CN2CC[NH+](CC3CCCCC3)CC2)[nH+]1 ZINC000342723269 254037803 /nfs/dbraw/zinc/03/78/03/254037803.db2.gz OOQQMVUDMIJRDD-UHFFFAOYSA-N 2 2 312.461 3.032 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000342684402 254032304 /nfs/dbraw/zinc/03/23/04/254032304.db2.gz APURHQTWMGGLLL-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000342684402 254032306 /nfs/dbraw/zinc/03/23/06/254032306.db2.gz APURHQTWMGGLLL-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342733638 254039583 /nfs/dbraw/zinc/03/95/83/254039583.db2.gz USSYLCDELXEEAJ-IYBDPMFKSA-N 2 2 318.509 3.232 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342733638 254039585 /nfs/dbraw/zinc/03/95/85/254039585.db2.gz USSYLCDELXEEAJ-IYBDPMFKSA-N 2 2 318.509 3.232 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000342739738 254040485 /nfs/dbraw/zinc/04/04/85/254040485.db2.gz QHOHVFZZJGYACC-OKZBNKHCSA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000342739738 254040486 /nfs/dbraw/zinc/04/04/86/254040486.db2.gz QHOHVFZZJGYACC-OKZBNKHCSA-N 2 2 301.478 3.490 20 0 DGADLP Cc1cccc(CCCNc2cc[nH+]cc2Br)[nH+]1 ZINC000343230498 254118525 /nfs/dbraw/zinc/11/85/25/254118525.db2.gz VGEXUVNTDHCBJV-UHFFFAOYSA-N 2 2 306.207 3.014 20 0 DGADLP CC1CCC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000343261559 254121407 /nfs/dbraw/zinc/12/14/07/254121407.db2.gz POFWAONMDMARNI-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP Cn1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(C2CCCCC2)n1 ZINC000343610655 254167205 /nfs/dbraw/zinc/16/72/05/254167205.db2.gz YVCBOKIJXSHUJA-UHFFFAOYSA-N 2 2 318.509 3.386 20 0 DGADLP Cn1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(C2CCCCC2)n1 ZINC000343610655 254167206 /nfs/dbraw/zinc/16/72/06/254167206.db2.gz YVCBOKIJXSHUJA-UHFFFAOYSA-N 2 2 318.509 3.386 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(OC(C)(C)C)n1)CC2 ZINC000343753244 254184524 /nfs/dbraw/zinc/18/45/24/254184524.db2.gz SIRJLSJRLSTZND-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1cccc(OC(C)(C)C)n1)CC2 ZINC000343753244 254184525 /nfs/dbraw/zinc/18/45/25/254184525.db2.gz SIRJLSJRLSTZND-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CCCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000343973524 254208469 /nfs/dbraw/zinc/20/84/69/254208469.db2.gz HPFUBQJNZCVHKA-HKUYNNGSSA-N 2 2 304.478 3.476 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343853411 254196146 /nfs/dbraw/zinc/19/61/46/254196146.db2.gz IAHGFVPWQOATTO-IUCAKERBSA-N 2 2 304.341 3.098 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)C1 ZINC000343892968 254200137 /nfs/dbraw/zinc/20/01/37/254200137.db2.gz QJRCAFFIHUKCNX-CRAIPNDOSA-N 2 2 317.477 3.101 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)C1 ZINC000343892968 254200138 /nfs/dbraw/zinc/20/01/38/254200138.db2.gz QJRCAFFIHUKCNX-CRAIPNDOSA-N 2 2 317.477 3.101 20 0 DGADLP CCOCC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000343916817 254202720 /nfs/dbraw/zinc/20/27/20/254202720.db2.gz AJOXDURKTUWHIK-UHFFFAOYSA-N 2 2 310.404 3.056 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000343946317 254205140 /nfs/dbraw/zinc/20/51/40/254205140.db2.gz XCTHBJOQPNKOKE-HZPDHXFCSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000343946317 254205141 /nfs/dbraw/zinc/20/51/41/254205141.db2.gz XCTHBJOQPNKOKE-HZPDHXFCSA-N 2 2 320.477 3.217 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@@H]2CCCO[C@H]21 ZINC000344103969 254225458 /nfs/dbraw/zinc/22/54/58/254225458.db2.gz PCSJEIJPAMLLMX-RCCFBDPRSA-N 2 2 311.429 3.166 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC000344099444 254225708 /nfs/dbraw/zinc/22/57/08/254225708.db2.gz KQWDXNJKGCMKFG-ZWKOTPCHSA-N 2 2 311.429 3.310 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174368 254235467 /nfs/dbraw/zinc/23/54/67/254235467.db2.gz QQNJJZHENROSDV-ROUUACIJSA-N 2 2 321.484 3.138 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174368 254235469 /nfs/dbraw/zinc/23/54/69/254235469.db2.gz QQNJJZHENROSDV-ROUUACIJSA-N 2 2 321.484 3.138 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000344303941 254253361 /nfs/dbraw/zinc/25/33/61/254253361.db2.gz MLHPYBFXSYNWKD-NEWSRXKRSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344303941 254253363 /nfs/dbraw/zinc/25/33/63/254253363.db2.gz MLHPYBFXSYNWKD-NEWSRXKRSA-N 2 2 316.489 3.036 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000344635526 254291007 /nfs/dbraw/zinc/29/10/07/254291007.db2.gz UENHACDJHJQARL-AAEUAGOBSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000344635526 254291008 /nfs/dbraw/zinc/29/10/08/254291008.db2.gz UENHACDJHJQARL-AAEUAGOBSA-N 2 2 307.488 3.444 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000157098020 197162196 /nfs/dbraw/zinc/16/21/96/197162196.db2.gz PHIMOKMDGZPSCA-YJBOKZPZSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000157098020 197162198 /nfs/dbraw/zinc/16/21/98/197162198.db2.gz PHIMOKMDGZPSCA-YJBOKZPZSA-N 2 2 322.880 3.324 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344671561 254295041 /nfs/dbraw/zinc/29/50/41/254295041.db2.gz AAQGRHJMCOTPHJ-NMLACTOBSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344671561 254295043 /nfs/dbraw/zinc/29/50/43/254295043.db2.gz AAQGRHJMCOTPHJ-NMLACTOBSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000344730170 254300706 /nfs/dbraw/zinc/30/07/06/254300706.db2.gz NKFDFWKGVZGXPS-BWPNAZKDSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000344730170 254300707 /nfs/dbraw/zinc/30/07/07/254300707.db2.gz NKFDFWKGVZGXPS-BWPNAZKDSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000344784003 254305247 /nfs/dbraw/zinc/30/52/47/254305247.db2.gz YJAHGGIGKLTBAU-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344784003 254305249 /nfs/dbraw/zinc/30/52/49/254305249.db2.gz YJAHGGIGKLTBAU-NEWSRXKRSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000344784002 254305543 /nfs/dbraw/zinc/30/55/43/254305543.db2.gz YJAHGGIGKLTBAU-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344784002 254305544 /nfs/dbraw/zinc/30/55/44/254305544.db2.gz YJAHGGIGKLTBAU-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000345349504 254356352 /nfs/dbraw/zinc/35/63/52/254356352.db2.gz MYJBRZOBYWQMGB-MOPGFXCFSA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000345349504 254356354 /nfs/dbraw/zinc/35/63/54/254356354.db2.gz MYJBRZOBYWQMGB-MOPGFXCFSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[NH2+]C1 ZINC000120350427 195149653 /nfs/dbraw/zinc/14/96/53/195149653.db2.gz CRXHKARBXKQJGA-SFHVURJKSA-N 2 2 311.385 3.202 20 0 DGADLP COc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1OC ZINC000155216706 197032742 /nfs/dbraw/zinc/03/27/42/197032742.db2.gz MTVGPZFXDXWJFS-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1OC ZINC000155216706 197032743 /nfs/dbraw/zinc/03/27/43/197032743.db2.gz MTVGPZFXDXWJFS-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1OC ZINC000155216706 197032744 /nfs/dbraw/zinc/03/27/44/197032744.db2.gz MTVGPZFXDXWJFS-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1OC ZINC000155216706 197032745 /nfs/dbraw/zinc/03/27/45/197032745.db2.gz MTVGPZFXDXWJFS-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000154871331 197000850 /nfs/dbraw/zinc/00/08/50/197000850.db2.gz JGCXNEUTUFDVND-ZDUSSCGKSA-N 2 2 319.474 3.058 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112704 285234746 /nfs/dbraw/zinc/23/47/46/285234746.db2.gz RJPNWVYXOKBGGC-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112704 285234747 /nfs/dbraw/zinc/23/47/47/285234747.db2.gz RJPNWVYXOKBGGC-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112704 285234748 /nfs/dbraw/zinc/23/47/48/285234748.db2.gz RJPNWVYXOKBGGC-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112704 285234749 /nfs/dbraw/zinc/23/47/49/285234749.db2.gz RJPNWVYXOKBGGC-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP COc1ccc(-c2nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)co2)cc1 ZINC000430594619 533193417 /nfs/dbraw/zinc/19/34/17/533193417.db2.gz RXHYRYCCZXRPMV-QGZVFWFLSA-N 2 2 317.433 3.155 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)co2)cc1 ZINC000430594619 533193422 /nfs/dbraw/zinc/19/34/22/533193422.db2.gz RXHYRYCCZXRPMV-QGZVFWFLSA-N 2 2 317.433 3.155 20 0 DGADLP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000182385179 533196003 /nfs/dbraw/zinc/19/60/03/533196003.db2.gz OYERWRVNMHAJDK-LJQANCHMSA-N 2 2 307.397 3.271 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000120650987 195208624 /nfs/dbraw/zinc/20/86/24/195208624.db2.gz HJJFJJUZFDVFAI-ZDUSSCGKSA-N 2 2 323.396 3.424 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000271556337 209009595 /nfs/dbraw/zinc/00/95/95/209009595.db2.gz WARRVSWYZYLXEJ-UONOGXRCSA-N 2 2 316.474 3.414 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@@H+]1Cc1ccccc1 ZINC000271566014 209017394 /nfs/dbraw/zinc/01/73/94/209017394.db2.gz SVEHAAJLWZOGLF-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@H+]1Cc1ccccc1 ZINC000271566014 209017396 /nfs/dbraw/zinc/01/73/96/209017396.db2.gz SVEHAAJLWZOGLF-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000289472659 221000607 /nfs/dbraw/zinc/00/06/07/221000607.db2.gz XDKYDBWXHWUMBK-INIZCTEOSA-N 2 2 304.434 3.191 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000289497805 221019333 /nfs/dbraw/zinc/01/93/33/221019333.db2.gz DCUVFHUZCCORMG-OAHLLOKOSA-N 2 2 303.837 3.323 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000289497805 221019336 /nfs/dbraw/zinc/01/93/36/221019336.db2.gz DCUVFHUZCCORMG-OAHLLOKOSA-N 2 2 303.837 3.323 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000289651825 221131688 /nfs/dbraw/zinc/13/16/88/221131688.db2.gz YJNISGWCCVQYBB-UHFFFAOYSA-N 2 2 312.461 3.240 20 0 DGADLP CCn1nccc1C1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289697429 221161988 /nfs/dbraw/zinc/16/19/88/221161988.db2.gz NJTKVWVAQRUYNI-UHFFFAOYSA-N 2 2 312.461 3.419 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCc1c[nH+]ccc1C)CCO2 ZINC000289867752 221280201 /nfs/dbraw/zinc/28/02/01/221280201.db2.gz WDBJNCGVYRVOBQ-SFHVURJKSA-N 2 2 312.413 3.445 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000289973060 221354290 /nfs/dbraw/zinc/35/42/90/221354290.db2.gz QECXYZDOTKIGKN-BXUZGUMPSA-N 2 2 312.417 3.157 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)c1 ZINC000352535020 285353201 /nfs/dbraw/zinc/35/32/01/285353201.db2.gz LICRKQGCWNTUHS-MRXNPFEDSA-N 2 2 319.499 3.447 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)c1 ZINC000352535020 285353206 /nfs/dbraw/zinc/35/32/06/285353206.db2.gz LICRKQGCWNTUHS-MRXNPFEDSA-N 2 2 319.499 3.447 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cs1 ZINC000271625545 209070704 /nfs/dbraw/zinc/07/07/04/209070704.db2.gz FXADBLWUFJVHSZ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cs1 ZINC000271625545 209070706 /nfs/dbraw/zinc/07/07/06/209070706.db2.gz FXADBLWUFJVHSZ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC000430121418 533483819 /nfs/dbraw/zinc/48/38/19/533483819.db2.gz ISAGDJCATZJAIH-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC000430121418 533483823 /nfs/dbraw/zinc/48/38/23/533483823.db2.gz ISAGDJCATZJAIH-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1OC(C)C ZINC000430121418 533483825 /nfs/dbraw/zinc/48/38/25/533483825.db2.gz ISAGDJCATZJAIH-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1OC(C)C ZINC000430121418 533483832 /nfs/dbraw/zinc/48/38/32/533483832.db2.gz ISAGDJCATZJAIH-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740194 292108599 /nfs/dbraw/zinc/10/85/99/292108599.db2.gz BAAZSOZKHLOMOF-IMFGXOCKSA-N 2 2 309.457 3.404 20 0 DGADLP COC1([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)CCCC1 ZINC000421821818 292135452 /nfs/dbraw/zinc/13/54/52/292135452.db2.gz UJDBDNUIJPCYHY-CQSZACIVSA-N 2 2 301.434 3.282 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]Cc3ccccn3)CC2)cc1 ZINC000066403503 400086406 /nfs/dbraw/zinc/08/64/06/400086406.db2.gz KLHZSRSNWMVZEH-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc2ccccc2n1C(F)F ZINC000091261990 400109249 /nfs/dbraw/zinc/10/92/49/400109249.db2.gz ZTFFQWLHGDCJKA-LBPRGKRZSA-N 2 2 319.359 3.369 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000091312411 400112143 /nfs/dbraw/zinc/11/21/43/400112143.db2.gz WMUBVXKSKFNOHN-NWDGAFQWSA-N 2 2 308.857 3.218 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000091306358 400112275 /nfs/dbraw/zinc/11/22/75/400112275.db2.gz XNXOETFADNQBAO-WMLDXEAASA-N 2 2 310.869 3.083 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000091306359 400112280 /nfs/dbraw/zinc/11/22/80/400112280.db2.gz XNXOETFADNQBAO-PBHICJAKSA-N 2 2 310.869 3.083 20 0 DGADLP Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090846962 400079210 /nfs/dbraw/zinc/07/92/10/400079210.db2.gz XXUPQGYNWCWTSA-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090847006 400079318 /nfs/dbraw/zinc/07/93/18/400079318.db2.gz BHPRLNPUPIAAHJ-INIZCTEOSA-N 2 2 314.429 3.309 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)cc1 ZINC000320159497 400163826 /nfs/dbraw/zinc/16/38/26/400163826.db2.gz QFBYJWFFSRJORZ-DZGCQCFKSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)o2)cc1 ZINC000320159497 400163830 /nfs/dbraw/zinc/16/38/30/400163830.db2.gz QFBYJWFFSRJORZ-DZGCQCFKSA-N 2 2 317.820 3.179 20 0 DGADLP CCc1cc(NCC[N@@H+](C)[C@H](C)CC)nc(-c2ccncc2)[nH+]1 ZINC000068699066 400281022 /nfs/dbraw/zinc/28/10/22/400281022.db2.gz PKLGQOHYKWBYTK-CQSZACIVSA-N 2 2 313.449 3.243 20 0 DGADLP CCc1cc(NCC[N@H+](C)[C@H](C)CC)nc(-c2ccncc2)[nH+]1 ZINC000068699066 400281026 /nfs/dbraw/zinc/28/10/26/400281026.db2.gz PKLGQOHYKWBYTK-CQSZACIVSA-N 2 2 313.449 3.243 20 0 DGADLP O[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000116238366 400408280 /nfs/dbraw/zinc/40/82/80/400408280.db2.gz UKMSRMAOSWHBKZ-SFHVURJKSA-N 2 2 322.880 3.324 20 0 DGADLP Brc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353288 400490468 /nfs/dbraw/zinc/49/04/68/400490468.db2.gz KAHXKDCDQCURML-UHFFFAOYSA-N 2 2 308.223 3.216 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000075021872 400553023 /nfs/dbraw/zinc/55/30/23/400553023.db2.gz RSTXYWKTTFMHCV-XKQJLSEDSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000075021872 400553028 /nfs/dbraw/zinc/55/30/28/400553028.db2.gz RSTXYWKTTFMHCV-XKQJLSEDSA-N 2 2 315.461 3.134 20 0 DGADLP CC[N@@H+](Cc1cc(C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108896 400635291 /nfs/dbraw/zinc/63/52/91/400635291.db2.gz VKNJEZJJWHKACE-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC[N@H+](Cc1cc(C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108896 400635295 /nfs/dbraw/zinc/63/52/95/400635295.db2.gz VKNJEZJJWHKACE-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CCc1cnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000075625765 400599601 /nfs/dbraw/zinc/59/96/01/400599601.db2.gz MIIOILRAMRQICI-UHFFFAOYSA-N 2 2 305.466 3.325 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000075766502 400610633 /nfs/dbraw/zinc/61/06/33/400610633.db2.gz JJCPBWFBGRVEAA-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000075766502 400610638 /nfs/dbraw/zinc/61/06/38/400610638.db2.gz JJCPBWFBGRVEAA-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccccc1-c1cnc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000075766502 400610642 /nfs/dbraw/zinc/61/06/42/400610642.db2.gz JJCPBWFBGRVEAA-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccccc1-c1cnc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000075766502 400610646 /nfs/dbraw/zinc/61/06/46/400610646.db2.gz JJCPBWFBGRVEAA-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccc(CNc3cccc[nH+]3)cc2)C[C@@H](C)O1 ZINC000076925980 400680475 /nfs/dbraw/zinc/68/04/75/400680475.db2.gz HSMNZTPKRJGILJ-HZPDHXFCSA-N 2 2 311.429 3.303 20 0 DGADLP CCCCc1noc(C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)n1 ZINC000052208591 400722960 /nfs/dbraw/zinc/72/29/60/400722960.db2.gz QGPMFJJQXNVDIQ-UHFFFAOYSA-N 2 2 322.497 3.356 20 0 DGADLP CCCCc1noc(C[NH+]2CCC(C[N@H+](C)CCCC)CC2)n1 ZINC000052208591 400722964 /nfs/dbraw/zinc/72/29/64/400722964.db2.gz QGPMFJJQXNVDIQ-UHFFFAOYSA-N 2 2 322.497 3.356 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C3CCCCC3)c2cc1C ZINC000051086119 400695058 /nfs/dbraw/zinc/69/50/58/400695058.db2.gz YYNHLUKEOSESTJ-QGZVFWFLSA-N 2 2 315.461 3.279 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C3CCCCC3)c2cc1C ZINC000051086119 400695063 /nfs/dbraw/zinc/69/50/63/400695063.db2.gz YYNHLUKEOSESTJ-QGZVFWFLSA-N 2 2 315.461 3.279 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000603516868 400697120 /nfs/dbraw/zinc/69/71/20/400697120.db2.gz DWAZNFZQIZQECK-ZDUSSCGKSA-N 2 2 314.882 3.135 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661668 400758060 /nfs/dbraw/zinc/75/80/60/400758060.db2.gz YJPUMFPBQNSDOF-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661668 400758062 /nfs/dbraw/zinc/75/80/62/400758062.db2.gz YJPUMFPBQNSDOF-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP Cn1nc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000604770791 400803710 /nfs/dbraw/zinc/80/37/10/400803710.db2.gz HFYYZYLRLQPMQJ-KRWDZBQOSA-N 2 2 302.466 3.029 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619424676 400845104 /nfs/dbraw/zinc/84/51/04/400845104.db2.gz ZFVUNJCLSRJYGJ-SFHVURJKSA-N 2 2 318.461 3.378 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619424676 400845109 /nfs/dbraw/zinc/84/51/09/400845109.db2.gz ZFVUNJCLSRJYGJ-SFHVURJKSA-N 2 2 318.461 3.378 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000358146786 285982034 /nfs/dbraw/zinc/98/20/34/285982034.db2.gz CANIDOMQYHMDSS-FRQCXROJSA-N 2 2 302.462 3.325 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614388384 400891300 /nfs/dbraw/zinc/89/13/00/400891300.db2.gz WIWFXDQYJVENRI-IYBDPMFKSA-N 2 2 312.461 3.087 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000614388384 400891304 /nfs/dbraw/zinc/89/13/04/400891304.db2.gz WIWFXDQYJVENRI-IYBDPMFKSA-N 2 2 312.461 3.087 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000358160767 285986720 /nfs/dbraw/zinc/98/67/20/285986720.db2.gz WURBFQDLAAVDMC-WMLDXEAASA-N 2 2 310.869 3.492 20 0 DGADLP O[C@H](CNc1ccc([NH2+]C2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000629581675 400981612 /nfs/dbraw/zinc/98/16/12/400981612.db2.gz FMVBWCNFGJYAES-LJQANCHMSA-N 2 2 317.477 3.300 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000629585223 400983268 /nfs/dbraw/zinc/98/32/68/400983268.db2.gz NOYBGDXFEULANL-IOJLRTSASA-N 2 2 316.489 3.149 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000629585223 400983273 /nfs/dbraw/zinc/98/32/73/400983273.db2.gz NOYBGDXFEULANL-IOJLRTSASA-N 2 2 316.489 3.149 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000237306405 400987787 /nfs/dbraw/zinc/98/77/87/400987787.db2.gz FGKNUNCEOATFHG-GFCCVEGCSA-N 2 2 303.233 3.186 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000237306405 400987793 /nfs/dbraw/zinc/98/77/93/400987793.db2.gz FGKNUNCEOATFHG-GFCCVEGCSA-N 2 2 303.233 3.186 20 0 DGADLP Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000237964285 400996388 /nfs/dbraw/zinc/99/63/88/400996388.db2.gz KDBCGZGEPZCQGC-UHFFFAOYSA-N 2 2 314.404 3.286 20 0 DGADLP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960302 401007456 /nfs/dbraw/zinc/00/74/56/401007456.db2.gz SEGNIXIYOWYUMM-OLZOCXBDSA-N 2 2 303.410 3.076 20 0 DGADLP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000080960302 401007459 /nfs/dbraw/zinc/00/74/59/401007459.db2.gz SEGNIXIYOWYUMM-OLZOCXBDSA-N 2 2 303.410 3.076 20 0 DGADLP Fc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1F ZINC000594051557 400964764 /nfs/dbraw/zinc/96/47/64/400964764.db2.gz GYXWFUPBZXKDLQ-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629652385 401017972 /nfs/dbraw/zinc/01/79/72/401017972.db2.gz AASLJCJVNPSPCN-IDUPTQOLSA-N 2 2 316.342 3.298 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629652385 401017977 /nfs/dbraw/zinc/01/79/77/401017977.db2.gz AASLJCJVNPSPCN-IDUPTQOLSA-N 2 2 316.342 3.298 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000629561346 400975429 /nfs/dbraw/zinc/97/54/29/400975429.db2.gz HUORLESCPXLIJG-CMPLNLGQSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C(F)(F)F ZINC000629561346 400975434 /nfs/dbraw/zinc/97/54/34/400975434.db2.gz HUORLESCPXLIJG-CMPLNLGQSA-N 2 2 324.749 3.438 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562089 400977039 /nfs/dbraw/zinc/97/70/39/400977039.db2.gz MPHSORPBPTZOEX-BREBYQMCSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562089 400977042 /nfs/dbraw/zinc/97/70/42/400977042.db2.gz MPHSORPBPTZOEX-BREBYQMCSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562684 400978289 /nfs/dbraw/zinc/97/82/89/400978289.db2.gz CHVHOORRSCPAAW-DGCLKSJQSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629562684 400978294 /nfs/dbraw/zinc/97/82/94/400978294.db2.gz CHVHOORRSCPAAW-DGCLKSJQSA-N 2 2 306.759 3.299 20 0 DGADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000236706257 400980289 /nfs/dbraw/zinc/98/02/89/400980289.db2.gz HGPICFPOTKWRSH-FXAWDEMLSA-N 2 2 318.505 3.210 20 0 DGADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000236706257 400980295 /nfs/dbraw/zinc/98/02/95/400980295.db2.gz HGPICFPOTKWRSH-FXAWDEMLSA-N 2 2 318.505 3.210 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@H]4COCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC000629741966 401071982 /nfs/dbraw/zinc/07/19/82/401071982.db2.gz JTOFVYVFELRTCA-HXUWFJFHSA-N 2 2 319.408 3.259 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516285 401072977 /nfs/dbraw/zinc/07/29/77/401072977.db2.gz TZKGAKVIETWOMI-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516285 401072984 /nfs/dbraw/zinc/07/29/84/401072984.db2.gz TZKGAKVIETWOMI-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516285 401072989 /nfs/dbraw/zinc/07/29/89/401072989.db2.gz TZKGAKVIETWOMI-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516285 401072994 /nfs/dbraw/zinc/07/29/94/401072994.db2.gz TZKGAKVIETWOMI-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP COC(=O)[C@@]1([NH2+]CCCCn2cc[nH+]c2C)CCCC(C)(C)C1 ZINC000599559775 401076759 /nfs/dbraw/zinc/07/67/59/401076759.db2.gz VXSPNJPJCGXQTC-GOSISDBHSA-N 2 2 321.465 3.073 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000625267443 401079590 /nfs/dbraw/zinc/07/95/90/401079590.db2.gz XULQEVPXBJDLEI-LRDDRELGSA-N 2 2 305.809 3.325 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000625267443 401079591 /nfs/dbraw/zinc/07/95/91/401079591.db2.gz XULQEVPXBJDLEI-LRDDRELGSA-N 2 2 305.809 3.325 20 0 DGADLP Clc1cncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268940 401145961 /nfs/dbraw/zinc/14/59/61/401145961.db2.gz DHIRIOZZDKQRAG-PBHICJAKSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268940 401145966 /nfs/dbraw/zinc/14/59/66/401145966.db2.gz DHIRIOZZDKQRAG-PBHICJAKSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621268940 401145971 /nfs/dbraw/zinc/14/59/71/401145971.db2.gz DHIRIOZZDKQRAG-PBHICJAKSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621268940 401145973 /nfs/dbraw/zinc/14/59/73/401145973.db2.gz DHIRIOZZDKQRAG-PBHICJAKSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc2c(ccn2CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625435766 401126923 /nfs/dbraw/zinc/12/69/23/401126923.db2.gz VLJPBWFMHQCOHU-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1ccc2c(ccn2CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625435766 401126930 /nfs/dbraw/zinc/12/69/30/401126930.db2.gz VLJPBWFMHQCOHU-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000620412586 401087889 /nfs/dbraw/zinc/08/78/89/401087889.db2.gz QQWFTNYUFYCOAR-UHFFFAOYSA-N 2 2 314.433 3.144 20 0 DGADLP c1ccc2cc(CC[NH+]3CCC([NH+]4CCOCC4)CC3)ccc2c1 ZINC000625549175 401153059 /nfs/dbraw/zinc/15/30/59/401153059.db2.gz KFJBLSJXRLXIMF-UHFFFAOYSA-N 2 2 324.468 3.179 20 0 DGADLP c1ccc2cc(C[NH+]3CCC([NH+]4CCOCC4)CC3)ccc2c1 ZINC000625550294 401153297 /nfs/dbraw/zinc/15/32/97/401153297.db2.gz VHKNWVXJLOXCGQ-UHFFFAOYSA-N 2 2 310.441 3.136 20 0 DGADLP Cc1cn2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2[nH+]1 ZINC000620650306 401165573 /nfs/dbraw/zinc/16/55/73/401165573.db2.gz RYXFFDFJJAWYEX-UHFFFAOYSA-N 2 2 314.414 3.018 20 0 DGADLP c1cc2c(s1)CC[N@@H+](CCNc1cc[nH+]c3ccncc13)C2 ZINC000085658437 401173249 /nfs/dbraw/zinc/17/32/49/401173249.db2.gz ACKLQAXKTDRKEG-UHFFFAOYSA-N 2 2 310.426 3.162 20 0 DGADLP c1cc2c(s1)CC[N@H+](CCNc1cc[nH+]c3ccncc13)C2 ZINC000085658437 401173254 /nfs/dbraw/zinc/17/32/54/401173254.db2.gz ACKLQAXKTDRKEG-UHFFFAOYSA-N 2 2 310.426 3.162 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000358341941 286036792 /nfs/dbraw/zinc/03/67/92/286036792.db2.gz DQBUFYLOFOMBBJ-APWZRJJASA-N 2 2 319.493 3.258 20 0 DGADLP c1ccc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]c1 ZINC000089266262 401214710 /nfs/dbraw/zinc/21/47/10/401214710.db2.gz SFMNQLPXFPFVJY-UHFFFAOYSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](CC(=O)OC(C)(C)C)CC(C)C)n1C ZINC000595000391 401223896 /nfs/dbraw/zinc/22/38/96/401223896.db2.gz KHVBWJPUMXQTQK-HNNXBMFYSA-N 2 2 323.481 3.212 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716029 401282234 /nfs/dbraw/zinc/28/22/34/401282234.db2.gz OZSGKJLMHRPXBN-LPHOPBHVSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716029 401282236 /nfs/dbraw/zinc/28/22/36/401282236.db2.gz OZSGKJLMHRPXBN-LPHOPBHVSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716029 401282238 /nfs/dbraw/zinc/28/22/38/401282238.db2.gz OZSGKJLMHRPXBN-LPHOPBHVSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716029 401282240 /nfs/dbraw/zinc/28/22/40/401282240.db2.gz OZSGKJLMHRPXBN-LPHOPBHVSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000090015207 401248449 /nfs/dbraw/zinc/24/84/49/401248449.db2.gz MZVIHNRAXCQTBF-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000090046884 401249268 /nfs/dbraw/zinc/24/92/68/401249268.db2.gz QUEPWNNQCBUHFY-SUMWQHHRSA-N 2 2 308.853 3.028 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000090047260 401250021 /nfs/dbraw/zinc/25/00/21/401250021.db2.gz BFESUSHOLJGHSA-YOEHRIQHSA-N 2 2 310.869 3.492 20 0 DGADLP COC1CC[NH+](CCNc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090108756 401258722 /nfs/dbraw/zinc/25/87/22/401258722.db2.gz FTEXQHAZZQCSJU-UHFFFAOYSA-N 2 2 320.481 3.246 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634677974 401330949 /nfs/dbraw/zinc/33/09/49/401330949.db2.gz DOZFCYUIQPIPFY-OAHLLOKOSA-N 2 2 301.434 3.282 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634681080 401332365 /nfs/dbraw/zinc/33/23/65/401332365.db2.gz INAWKNCSPSKLEE-QAPCUYQASA-N 2 2 317.477 3.154 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686549 401335320 /nfs/dbraw/zinc/33/53/20/401335320.db2.gz MSJHPTYWCNMOKS-ROUUACIJSA-N 2 2 302.462 3.117 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686549 401335322 /nfs/dbraw/zinc/33/53/22/401335322.db2.gz MSJHPTYWCNMOKS-ROUUACIJSA-N 2 2 302.462 3.117 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004521 401335369 /nfs/dbraw/zinc/33/53/69/401335369.db2.gz PUZFQDCKYMJYDO-PXNSSMCTSA-N 2 2 322.456 3.163 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004521 401335370 /nfs/dbraw/zinc/33/53/70/401335370.db2.gz PUZFQDCKYMJYDO-PXNSSMCTSA-N 2 2 322.456 3.163 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)s2)cc1 ZINC000622003707 401335423 /nfs/dbraw/zinc/33/54/23/401335423.db2.gz DTFXXYWTUIEFRO-CRAIPNDOSA-N 2 2 313.470 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)s2)cc1 ZINC000622003707 401335424 /nfs/dbraw/zinc/33/54/24/401335424.db2.gz DTFXXYWTUIEFRO-CRAIPNDOSA-N 2 2 313.470 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)s2)cc1 ZINC000622003708 401335433 /nfs/dbraw/zinc/33/54/33/401335433.db2.gz DTFXXYWTUIEFRO-MAUKXSAKSA-N 2 2 313.470 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)s2)cc1 ZINC000622003708 401335434 /nfs/dbraw/zinc/33/54/34/401335434.db2.gz DTFXXYWTUIEFRO-MAUKXSAKSA-N 2 2 313.470 3.432 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1csnn1 ZINC000626063454 401292459 /nfs/dbraw/zinc/29/24/59/401292459.db2.gz DXFBCBIUQIMRKY-ZDUSSCGKSA-N 2 2 304.463 3.183 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1csnn1 ZINC000626063454 401292462 /nfs/dbraw/zinc/29/24/62/401292462.db2.gz DXFBCBIUQIMRKY-ZDUSSCGKSA-N 2 2 304.463 3.183 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(F)c1 ZINC000631083858 401387675 /nfs/dbraw/zinc/38/76/75/401387675.db2.gz SDGJQOGFRZUKOS-UHFFFAOYSA-N 2 2 308.441 3.113 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000631151732 401408994 /nfs/dbraw/zinc/40/89/94/401408994.db2.gz KCYQLAXXGUIKRV-AGUYFDCRSA-N 2 2 324.852 3.072 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000631151732 401408996 /nfs/dbraw/zinc/40/89/96/401408996.db2.gz KCYQLAXXGUIKRV-AGUYFDCRSA-N 2 2 324.852 3.072 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635697201 401474112 /nfs/dbraw/zinc/47/41/12/401474112.db2.gz SMDXTVQODLOLNF-CQSZACIVSA-N 2 2 314.433 3.239 20 0 DGADLP Cc1cn2cc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)ccc2[nH+]1 ZINC000635468599 401445738 /nfs/dbraw/zinc/44/57/38/401445738.db2.gz CADGMINXVPFXAM-HNNXBMFYSA-N 2 2 311.389 3.065 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000623088305 401462974 /nfs/dbraw/zinc/46/29/74/401462974.db2.gz FWORGDKAOANPHR-UHFFFAOYSA-N 2 2 319.399 3.302 20 0 DGADLP Cc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(C)s1 ZINC000623089078 401463167 /nfs/dbraw/zinc/46/31/67/401463167.db2.gz TVHXCTUOGOLNBZ-UHFFFAOYSA-N 2 2 302.434 3.432 20 0 DGADLP CCc1cc(N2CCC(CC)([NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000631448823 401472757 /nfs/dbraw/zinc/47/27/57/401472757.db2.gz OURSGMNNAKGUQW-UHFFFAOYSA-N 2 2 302.466 3.192 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(OC)c1OC ZINC000631563245 401498001 /nfs/dbraw/zinc/49/80/01/401498001.db2.gz NEEWUWSDUJAVHN-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(OC)c1OC ZINC000631563245 401498003 /nfs/dbraw/zinc/49/80/03/401498003.db2.gz NEEWUWSDUJAVHN-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]c1C ZINC000628156710 401537734 /nfs/dbraw/zinc/53/77/34/401537734.db2.gz ZSULMPWDTZBKOT-WMLDXEAASA-N 2 2 304.482 3.113 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]c1C ZINC000628156710 401537736 /nfs/dbraw/zinc/53/77/36/401537736.db2.gz ZSULMPWDTZBKOT-WMLDXEAASA-N 2 2 304.482 3.113 20 0 DGADLP c1[nH]nc2cccc(C[NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)c12 ZINC000623336169 401493570 /nfs/dbraw/zinc/49/35/70/401493570.db2.gz ZMXGOMMOCFMALD-FQEVSTJZSA-N 2 2 320.440 3.490 20 0 DGADLP Cc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628263891 401562684 /nfs/dbraw/zinc/56/26/84/401562684.db2.gz RYGYPQIHFHLQEW-MOPGFXCFSA-N 2 2 316.489 3.143 20 0 DGADLP Cc1ccc([C@H](C)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628263891 401562686 /nfs/dbraw/zinc/56/26/86/401562686.db2.gz RYGYPQIHFHLQEW-MOPGFXCFSA-N 2 2 316.489 3.143 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000623657127 401563843 /nfs/dbraw/zinc/56/38/43/401563843.db2.gz KGFZVBBWNNSLCI-GFCCVEGCSA-N 2 2 307.438 3.257 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000623657127 401563844 /nfs/dbraw/zinc/56/38/44/401563844.db2.gz KGFZVBBWNNSLCI-GFCCVEGCSA-N 2 2 307.438 3.257 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628280385 401566295 /nfs/dbraw/zinc/56/62/95/401566295.db2.gz GOHIYWKGXRREPX-CQSZACIVSA-N 2 2 323.362 3.471 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628280385 401566298 /nfs/dbraw/zinc/56/62/98/401566298.db2.gz GOHIYWKGXRREPX-CQSZACIVSA-N 2 2 323.362 3.471 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@@H+]1C1CC1 ZINC000623784675 401579119 /nfs/dbraw/zinc/57/91/19/401579119.db2.gz FADDSCHEOPVMPO-MAUKXSAKSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@H+]1C1CC1 ZINC000623784675 401579122 /nfs/dbraw/zinc/57/91/22/401579122.db2.gz FADDSCHEOPVMPO-MAUKXSAKSA-N 2 2 307.441 3.463 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234640 401556310 /nfs/dbraw/zinc/55/63/10/401556310.db2.gz HULSQUDMQKSSGT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234640 401556314 /nfs/dbraw/zinc/55/63/14/401556314.db2.gz HULSQUDMQKSSGT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234640 401556318 /nfs/dbraw/zinc/55/63/18/401556318.db2.gz HULSQUDMQKSSGT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234640 401556321 /nfs/dbraw/zinc/55/63/21/401556321.db2.gz HULSQUDMQKSSGT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2coc3ccccc23)CC1 ZINC000628452761 401598821 /nfs/dbraw/zinc/59/88/21/401598821.db2.gz WJLPFZZEDKGXNX-UHFFFAOYSA-N 2 2 314.429 3.120 20 0 DGADLP CC[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000628238992 401557912 /nfs/dbraw/zinc/55/79/12/401557912.db2.gz YHGUDZLLSFBZTE-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP CC[C@@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000628238992 401557917 /nfs/dbraw/zinc/55/79/17/401557917.db2.gz YHGUDZLLSFBZTE-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000628241771 401558750 /nfs/dbraw/zinc/55/87/50/401558750.db2.gz GRVGUFWJGNYXSN-AWEZNQCLSA-N 2 2 309.335 3.049 20 0 DGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634872 401559470 /nfs/dbraw/zinc/55/94/70/401559470.db2.gz CZWIXOZCUXTZHB-OAHLLOKOSA-N 2 2 318.852 3.018 20 0 DGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634872 401559473 /nfs/dbraw/zinc/55/94/73/401559473.db2.gz CZWIXOZCUXTZHB-OAHLLOKOSA-N 2 2 318.852 3.018 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000624121814 401628919 /nfs/dbraw/zinc/62/89/19/401628919.db2.gz DJKLJAXDNVZHBS-XLIONFOSSA-N 2 2 309.457 3.493 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000624121814 401628920 /nfs/dbraw/zinc/62/89/20/401628920.db2.gz DJKLJAXDNVZHBS-XLIONFOSSA-N 2 2 309.457 3.493 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122936 401628950 /nfs/dbraw/zinc/62/89/50/401628950.db2.gz BHMJPBZZJIIURY-FZMZJTMJSA-N 2 2 312.379 3.413 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122936 401628951 /nfs/dbraw/zinc/62/89/51/401628951.db2.gz BHMJPBZZJIIURY-FZMZJTMJSA-N 2 2 312.379 3.413 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624225888 401641461 /nfs/dbraw/zinc/64/14/61/401641461.db2.gz DKZIBKDMVYUEJL-OXJNMPFZSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624225888 401641464 /nfs/dbraw/zinc/64/14/64/401641464.db2.gz DKZIBKDMVYUEJL-OXJNMPFZSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624228454 401641753 /nfs/dbraw/zinc/64/17/53/401641753.db2.gz RQCJTPJRJQXKQO-OXJNMPFZSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624228454 401641756 /nfs/dbraw/zinc/64/17/56/401641756.db2.gz RQCJTPJRJQXKQO-OXJNMPFZSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@@H](Nc1[nH+]cnc2[nH]c3ccccc3c21)C1CC[NH+](C)CC1 ZINC000623969875 401606986 /nfs/dbraw/zinc/60/69/86/401606986.db2.gz XKMFJTALAJUGGR-GFCCVEGCSA-N 2 2 309.417 3.253 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc(C(F)(F)F)c1 ZINC000629386110 401683299 /nfs/dbraw/zinc/68/32/99/401683299.db2.gz LURSUPYSPCXIFF-CYBMUJFWSA-N 2 2 302.315 3.219 20 0 DGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000358818858 286160882 /nfs/dbraw/zinc/16/08/82/286160882.db2.gz DMVUNPYITZXRDG-KBXCAEBGSA-N 2 2 305.441 3.353 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000358838947 286165679 /nfs/dbraw/zinc/16/56/79/286165679.db2.gz YWJGYENRHGMPJB-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000358838947 286165680 /nfs/dbraw/zinc/16/56/80/286165680.db2.gz YWJGYENRHGMPJB-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358912956 286185518 /nfs/dbraw/zinc/18/55/18/286185518.db2.gz GDNQCLIGEHGSMN-INIZCTEOSA-N 2 2 323.444 3.136 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCCCOC)c2ccccc2)C1 ZINC000359030168 286219425 /nfs/dbraw/zinc/21/94/25/286219425.db2.gz OWSKWBVPSAYVCG-QXAKKESOSA-N 2 2 304.478 3.474 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCCCOC)c2ccccc2)C1 ZINC000359030168 286219426 /nfs/dbraw/zinc/21/94/26/286219426.db2.gz OWSKWBVPSAYVCG-QXAKKESOSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1ccc([C@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278566188 292254963 /nfs/dbraw/zinc/25/49/63/292254963.db2.gz WWJDZTSACHZNMQ-WMZOPIPTSA-N 2 2 304.503 3.475 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000249100454 292255921 /nfs/dbraw/zinc/25/59/21/292255921.db2.gz NOEMHRCMXDVWOW-QRQLOZEOSA-N 2 2 302.462 3.147 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ncccc1C(F)(F)F ZINC000359457176 286312307 /nfs/dbraw/zinc/31/23/07/286312307.db2.gz HWHLFGJJCQLCFP-UHFFFAOYSA-N 2 2 323.362 3.451 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ncccc1C(F)(F)F ZINC000359457176 286312308 /nfs/dbraw/zinc/31/23/08/286312308.db2.gz HWHLFGJJCQLCFP-UHFFFAOYSA-N 2 2 323.362 3.451 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000359551179 286333731 /nfs/dbraw/zinc/33/37/31/286333731.db2.gz JLDFYXNMDBFASA-QGZVFWFLSA-N 2 2 309.457 3.439 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000359925143 286389648 /nfs/dbraw/zinc/38/96/48/286389648.db2.gz QSPZUZHJSPCLSY-KRWDZBQOSA-N 2 2 320.477 3.302 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427698862 292338799 /nfs/dbraw/zinc/33/87/99/292338799.db2.gz UXOWTYXLRPORAH-LJQANCHMSA-N 2 2 304.478 3.394 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427698862 292338800 /nfs/dbraw/zinc/33/88/00/292338800.db2.gz UXOWTYXLRPORAH-LJQANCHMSA-N 2 2 304.478 3.394 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3c(O)cccc31)CCC2 ZINC000360984846 286569490 /nfs/dbraw/zinc/56/94/90/286569490.db2.gz FPSYZPKDLSMHOQ-YOEHRIQHSA-N 2 2 311.429 3.442 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073520 286590784 /nfs/dbraw/zinc/59/07/84/286590784.db2.gz OZJGCUFBKJRXBU-UHFFFAOYSA-N 2 2 302.422 3.180 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284042 287007667 /nfs/dbraw/zinc/00/76/67/287007667.db2.gz RBLLZVVUBZRUMJ-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284042 287007668 /nfs/dbraw/zinc/00/76/68/287007668.db2.gz RBLLZVVUBZRUMJ-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000364284042 287007670 /nfs/dbraw/zinc/00/76/70/287007670.db2.gz RBLLZVVUBZRUMJ-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000364284042 287007674 /nfs/dbraw/zinc/00/76/74/287007674.db2.gz RBLLZVVUBZRUMJ-HZPDHXFCSA-N 2 2 305.441 3.307 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000364845995 287066934 /nfs/dbraw/zinc/06/69/34/287066934.db2.gz ZFRURGQTSBWJAV-IAGOWNOFSA-N 2 2 304.503 3.382 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000364845995 287066937 /nfs/dbraw/zinc/06/69/37/287066937.db2.gz ZFRURGQTSBWJAV-IAGOWNOFSA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000365020636 287088082 /nfs/dbraw/zinc/08/80/82/287088082.db2.gz RAHCZTZRYGTTSI-HOCLYGCPSA-N 2 2 302.466 3.254 20 0 DGADLP CC(C)c1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000365020636 287088085 /nfs/dbraw/zinc/08/80/85/287088085.db2.gz RAHCZTZRYGTTSI-HOCLYGCPSA-N 2 2 302.466 3.254 20 0 DGADLP CC(C)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000365021059 287088227 /nfs/dbraw/zinc/08/82/27/287088227.db2.gz RAHCZTZRYGTTSI-ZBFHGGJFSA-N 2 2 302.466 3.254 20 0 DGADLP CC(C)c1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000365021059 287088229 /nfs/dbraw/zinc/08/82/29/287088229.db2.gz RAHCZTZRYGTTSI-ZBFHGGJFSA-N 2 2 302.466 3.254 20 0 DGADLP C[C@@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000191671929 165264995 /nfs/dbraw/zinc/26/49/95/165264995.db2.gz JRGCSHIHJRHLJY-LJQANCHMSA-N 2 2 313.445 3.293 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cn1 ZINC000194859096 165357017 /nfs/dbraw/zinc/35/70/17/165357017.db2.gz ROHVPHMLEUJQDH-ZDUSSCGKSA-N 2 2 308.385 3.132 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000195336169 165365358 /nfs/dbraw/zinc/36/53/58/165365358.db2.gz DGXJRCHVHCFNEN-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000218061975 165378220 /nfs/dbraw/zinc/37/82/20/165378220.db2.gz OYEWKAOVWSOZRC-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000218061975 165378221 /nfs/dbraw/zinc/37/82/21/165378221.db2.gz OYEWKAOVWSOZRC-STQMWFEESA-N 2 2 311.267 3.442 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000365234743 287112227 /nfs/dbraw/zinc/11/22/27/287112227.db2.gz QAQISKMEKOESGW-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403247 287128135 /nfs/dbraw/zinc/12/81/35/287128135.db2.gz MJHPTEBWRLSLFM-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403247 287128137 /nfs/dbraw/zinc/12/81/37/287128137.db2.gz MJHPTEBWRLSLFM-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000365827455 287176526 /nfs/dbraw/zinc/17/65/26/287176526.db2.gz CQYQYICDHCACDO-UHFFFAOYSA-N 2 2 316.376 3.278 20 0 DGADLP CS[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000129328558 196039906 /nfs/dbraw/zinc/03/99/06/196039906.db2.gz YGORDYSQGNGKST-HOTGVXAUSA-N 2 2 305.491 3.314 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC(=O)OC(C)(C)C ZINC000181976159 432152755 /nfs/dbraw/zinc/15/27/55/432152755.db2.gz OMBHQDJGWWEMRC-CVEARBPZSA-N 2 2 310.482 3.057 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC(=O)OC(C)(C)C ZINC000181976159 432152759 /nfs/dbraw/zinc/15/27/59/432152759.db2.gz OMBHQDJGWWEMRC-CVEARBPZSA-N 2 2 310.482 3.057 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC(=O)OC(C)(C)C ZINC000181976159 432152762 /nfs/dbraw/zinc/15/27/62/432152762.db2.gz OMBHQDJGWWEMRC-CVEARBPZSA-N 2 2 310.482 3.057 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(=O)OC(C)(C)C ZINC000181976159 432152767 /nfs/dbraw/zinc/15/27/67/432152767.db2.gz OMBHQDJGWWEMRC-CVEARBPZSA-N 2 2 310.482 3.057 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000269005759 432151280 /nfs/dbraw/zinc/15/12/80/432151280.db2.gz LADAHTDPKCJKAY-MQIPJXDCSA-N 2 2 301.459 3.430 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000269005759 432151282 /nfs/dbraw/zinc/15/12/82/432151282.db2.gz LADAHTDPKCJKAY-MQIPJXDCSA-N 2 2 301.459 3.430 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000136502738 432155552 /nfs/dbraw/zinc/15/55/52/432155552.db2.gz LGXKISODHQDCGI-VBSBHUPXSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000136502738 432155558 /nfs/dbraw/zinc/15/55/58/432155558.db2.gz LGXKISODHQDCGI-VBSBHUPXSA-N 2 2 316.489 3.038 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000182091146 432158779 /nfs/dbraw/zinc/15/87/79/432158779.db2.gz KRNDHORFMBCCFQ-LBPRGKRZSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000182091146 432158781 /nfs/dbraw/zinc/15/87/81/432158781.db2.gz KRNDHORFMBCCFQ-LBPRGKRZSA-N 2 2 323.362 3.292 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000246816338 432168072 /nfs/dbraw/zinc/16/80/72/432168072.db2.gz AXDFUBKSQZVSLC-ISARSNTHSA-N 3 2 309.542 3.205 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000246816338 432168073 /nfs/dbraw/zinc/16/80/73/432168073.db2.gz AXDFUBKSQZVSLC-ISARSNTHSA-N 3 2 309.542 3.205 20 0 DGADLP CCc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000246897469 432178770 /nfs/dbraw/zinc/17/87/70/432178770.db2.gz RHVXWNVWDWCRAY-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000246897469 432178774 /nfs/dbraw/zinc/17/87/74/432178774.db2.gz RHVXWNVWDWCRAY-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000246897469 432178779 /nfs/dbraw/zinc/17/87/79/432178779.db2.gz RHVXWNVWDWCRAY-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000246897469 432178783 /nfs/dbraw/zinc/17/87/83/432178783.db2.gz RHVXWNVWDWCRAY-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000182355726 432181984 /nfs/dbraw/zinc/18/19/84/432181984.db2.gz HBWIXWZUSVOQCE-KRWDZBQOSA-N 2 2 300.446 3.067 20 0 DGADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000182355726 432181989 /nfs/dbraw/zinc/18/19/89/432181989.db2.gz HBWIXWZUSVOQCE-KRWDZBQOSA-N 2 2 300.446 3.067 20 0 DGADLP CC[N@H+](C[C@@H]1CC[C@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000190612762 432174231 /nfs/dbraw/zinc/17/42/31/432174231.db2.gz UKECQYJSCFKZAN-WMZOPIPTSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](C[C@@H]1CC[C@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000190612762 432174234 /nfs/dbraw/zinc/17/42/34/432174234.db2.gz UKECQYJSCFKZAN-WMZOPIPTSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@@H](C)C1 ZINC000246864665 432174428 /nfs/dbraw/zinc/17/44/28/432174428.db2.gz DEIUAULZDCKOJU-GXTWGEPZSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@@H](C)C1 ZINC000246864665 432174432 /nfs/dbraw/zinc/17/44/32/432174432.db2.gz DEIUAULZDCKOJU-GXTWGEPZSA-N 2 2 305.447 3.223 20 0 DGADLP CC1(C)CC([NH2+]Cc2nccn2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000190695667 432183361 /nfs/dbraw/zinc/18/33/61/432183361.db2.gz BJSUGLHGTKZPGL-UHFFFAOYSA-N 2 2 312.461 3.271 20 0 DGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246953481 432184513 /nfs/dbraw/zinc/18/45/13/432184513.db2.gz URYHPRQXEDUUFI-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246953481 432184516 /nfs/dbraw/zinc/18/45/16/432184516.db2.gz URYHPRQXEDUUFI-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246953481 432184519 /nfs/dbraw/zinc/18/45/19/432184519.db2.gz URYHPRQXEDUUFI-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246953481 432184522 /nfs/dbraw/zinc/18/45/22/432184522.db2.gz URYHPRQXEDUUFI-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000190881325 432196995 /nfs/dbraw/zinc/19/69/95/432196995.db2.gz KAVRRWFXGKKPSS-OCCSQVGLSA-N 2 2 310.388 3.045 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000190881325 432196997 /nfs/dbraw/zinc/19/69/97/432196997.db2.gz KAVRRWFXGKKPSS-OCCSQVGLSA-N 2 2 310.388 3.045 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247084038 432200530 /nfs/dbraw/zinc/20/05/30/432200530.db2.gz PBBKYTDBQVREHX-NVXWUHKLSA-N 2 2 305.466 3.080 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247084038 432200533 /nfs/dbraw/zinc/20/05/33/432200533.db2.gz PBBKYTDBQVREHX-NVXWUHKLSA-N 2 2 305.466 3.080 20 0 DGADLP C[N@H+](CC[NH2+]C1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000151031395 432213576 /nfs/dbraw/zinc/21/35/76/432213576.db2.gz RGNQZEYBNHOUGT-UHFFFAOYSA-N 2 2 323.484 3.377 20 0 DGADLP C[N@@H+](CC[NH2+]C1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000151031395 432213580 /nfs/dbraw/zinc/21/35/80/432213580.db2.gz RGNQZEYBNHOUGT-UHFFFAOYSA-N 2 2 323.484 3.377 20 0 DGADLP C[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)C[NH+]1CCOCC1 ZINC000182673473 432216675 /nfs/dbraw/zinc/21/66/75/432216675.db2.gz CXOXODLXYWSTFN-MRXNPFEDSA-N 2 2 322.452 3.314 20 0 DGADLP CCOCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000131549935 196179331 /nfs/dbraw/zinc/17/93/31/196179331.db2.gz DGFZQZWIIPCEBU-UHFFFAOYSA-N 2 2 310.869 3.321 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Br ZINC000131705577 196192762 /nfs/dbraw/zinc/19/27/62/196192762.db2.gz YQHHJEYHDPDHQG-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Br ZINC000131705577 196192764 /nfs/dbraw/zinc/19/27/64/196192764.db2.gz YQHHJEYHDPDHQG-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cncs1 ZINC000132161868 196231797 /nfs/dbraw/zinc/23/17/97/196231797.db2.gz RHSOCUDNCPVOQH-AWEZNQCLSA-N 2 2 312.442 3.281 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000132318331 196245235 /nfs/dbraw/zinc/24/52/35/196245235.db2.gz HZZRHOSUTLQUGB-LJQANCHMSA-N 2 2 312.461 3.125 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000132330652 196246364 /nfs/dbraw/zinc/24/63/64/196246364.db2.gz SNSBZFTYTZPYIX-INIZCTEOSA-N 2 2 324.472 3.409 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000132798670 196285190 /nfs/dbraw/zinc/28/51/90/196285190.db2.gz MOCGMJWHUMRLMB-ZIAGYGMSSA-N 2 2 324.415 3.116 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000132956574 196299342 /nfs/dbraw/zinc/29/93/42/196299342.db2.gz ANTAEXHBIPMNRC-APWZRJJASA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000132956574 196299343 /nfs/dbraw/zinc/29/93/43/196299343.db2.gz ANTAEXHBIPMNRC-APWZRJJASA-N 3 2 307.526 3.103 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422867209 287355466 /nfs/dbraw/zinc/35/54/66/287355466.db2.gz RVIIIIWRRSWPPY-UWVAXJGDSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422867209 287355469 /nfs/dbraw/zinc/35/54/69/287355469.db2.gz RVIIIIWRRSWPPY-UWVAXJGDSA-N 3 2 315.505 3.006 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C ZINC000682615611 549343282 /nfs/dbraw/zinc/34/32/82/549343282.db2.gz ILQKCIZCJHMOTB-SFHVURJKSA-N 2 2 323.444 3.135 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1cnn(C)c1 ZINC000297378710 227086765 /nfs/dbraw/zinc/08/67/65/227086765.db2.gz QXTYHHACBGZFRM-GFCCVEGCSA-N 2 2 315.808 3.110 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1csc(-c2ccccc2F)n1 ZINC000291257409 222262916 /nfs/dbraw/zinc/26/29/16/222262916.db2.gz PRKYPJYYVJGHSD-GFCCVEGCSA-N 2 2 316.405 3.497 20 0 DGADLP Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000156391214 227124703 /nfs/dbraw/zinc/12/47/03/227124703.db2.gz ZHRIEXDDLPNXQG-QGZVFWFLSA-N 2 2 323.444 3.427 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000299313678 229045276 /nfs/dbraw/zinc/04/52/76/229045276.db2.gz FPANLBVWOGITEX-UHFFFAOYSA-N 2 2 324.472 3.287 20 0 DGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000346313429 264007896 /nfs/dbraw/zinc/00/78/96/264007896.db2.gz QLBLNAHFBPFPOA-IAGOWNOFSA-N 2 2 305.466 3.333 20 0 DGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000346313429 264007899 /nfs/dbraw/zinc/00/78/99/264007899.db2.gz QLBLNAHFBPFPOA-IAGOWNOFSA-N 2 2 305.466 3.333 20 0 DGADLP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000346371877 264019763 /nfs/dbraw/zinc/01/97/63/264019763.db2.gz LVPKPVRZMNCFAB-QWFCFKBJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000346371877 264019767 /nfs/dbraw/zinc/01/97/67/264019767.db2.gz LVPKPVRZMNCFAB-QWFCFKBJSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346452585 264034335 /nfs/dbraw/zinc/03/43/35/264034335.db2.gz QZOLMDJQHXXKSY-UHOSZYNNSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346452585 264034338 /nfs/dbraw/zinc/03/43/38/264034338.db2.gz QZOLMDJQHXXKSY-UHOSZYNNSA-N 2 2 304.478 3.038 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346496870 264041732 /nfs/dbraw/zinc/04/17/32/264041732.db2.gz RVDJNIYURAFYAS-SFHVURJKSA-N 2 2 315.436 3.488 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346498818 264042862 /nfs/dbraw/zinc/04/28/62/264042862.db2.gz SVADKDLYLTUSJM-GOSISDBHSA-N 2 2 315.436 3.488 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346559824 264054179 /nfs/dbraw/zinc/05/41/79/264054179.db2.gz MTMCCASVWXZDEX-GOSISDBHSA-N 2 2 310.376 3.105 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC[N@@H+]1C ZINC000346566852 264056113 /nfs/dbraw/zinc/05/61/13/264056113.db2.gz LUXDETXIAYXFNQ-CCKFTAQKSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC[N@H+]1C ZINC000346566852 264056114 /nfs/dbraw/zinc/05/61/14/264056114.db2.gz LUXDETXIAYXFNQ-CCKFTAQKSA-N 2 2 313.420 3.382 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000346639152 264070584 /nfs/dbraw/zinc/07/05/84/264070584.db2.gz IAMKUQJACKGFNM-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000346639152 264070585 /nfs/dbraw/zinc/07/05/85/264070585.db2.gz IAMKUQJACKGFNM-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000346639152 264070586 /nfs/dbraw/zinc/07/05/86/264070586.db2.gz IAMKUQJACKGFNM-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000346639152 264070589 /nfs/dbraw/zinc/07/05/89/264070589.db2.gz IAMKUQJACKGFNM-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000346639154 264070790 /nfs/dbraw/zinc/07/07/90/264070790.db2.gz IAMKUQJACKGFNM-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000346639154 264070793 /nfs/dbraw/zinc/07/07/93/264070793.db2.gz IAMKUQJACKGFNM-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000346639154 264070795 /nfs/dbraw/zinc/07/07/95/264070795.db2.gz IAMKUQJACKGFNM-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000346639154 264070797 /nfs/dbraw/zinc/07/07/97/264070797.db2.gz IAMKUQJACKGFNM-ROUUACIJSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822943 264103703 /nfs/dbraw/zinc/10/37/03/264103703.db2.gz JZMXJKBWFWYDSW-KDOFPFPSSA-N 2 2 313.445 3.259 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822943 264103705 /nfs/dbraw/zinc/10/37/05/264103705.db2.gz JZMXJKBWFWYDSW-KDOFPFPSSA-N 2 2 313.445 3.259 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822946 264103902 /nfs/dbraw/zinc/10/39/02/264103902.db2.gz JZMXJKBWFWYDSW-RDTXWAMCSA-N 2 2 313.445 3.259 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822946 264103904 /nfs/dbraw/zinc/10/39/04/264103904.db2.gz JZMXJKBWFWYDSW-RDTXWAMCSA-N 2 2 313.445 3.259 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346823047 264104069 /nfs/dbraw/zinc/10/40/69/264104069.db2.gz JYCRDLJAEDLCRX-HOTGVXAUSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@@H](c1ccccc1Cl)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346823047 264104070 /nfs/dbraw/zinc/10/40/70/264104070.db2.gz JYCRDLJAEDLCRX-HOTGVXAUSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CCCC1 ZINC000346948784 264125850 /nfs/dbraw/zinc/12/58/50/264125850.db2.gz ABRIKWPFJHLDHG-YOEHRIQHSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@H]1C[NH3+] ZINC000347002253 264136980 /nfs/dbraw/zinc/13/69/80/264136980.db2.gz ILSCGUKLFWYAMJ-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@H]1C[NH3+] ZINC000347002253 264136982 /nfs/dbraw/zinc/13/69/82/264136982.db2.gz ILSCGUKLFWYAMJ-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3C[NH3+])s2)cc1 ZINC000347040337 264146246 /nfs/dbraw/zinc/14/62/46/264146246.db2.gz HWQZZFCLCPFVDO-OAHLLOKOSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3C[NH3+])s2)cc1 ZINC000347040337 264146248 /nfs/dbraw/zinc/14/62/48/264146248.db2.gz HWQZZFCLCPFVDO-OAHLLOKOSA-N 2 2 301.459 3.432 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000347084290 264154310 /nfs/dbraw/zinc/15/43/10/264154310.db2.gz ABXSQABDMVWPKB-UHFFFAOYSA-N 2 2 318.852 3.018 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088533 264154618 /nfs/dbraw/zinc/15/46/18/264154618.db2.gz FGRIUIXUPBMTSC-TZMCWYRMSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088533 264154620 /nfs/dbraw/zinc/15/46/20/264154620.db2.gz FGRIUIXUPBMTSC-TZMCWYRMSA-N 2 2 316.367 3.329 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000347092139 264154713 /nfs/dbraw/zinc/15/47/13/264154713.db2.gz GVJOAJSGJUCQON-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000347092139 264154714 /nfs/dbraw/zinc/15/47/14/264154714.db2.gz GVJOAJSGJUCQON-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347089124 264154930 /nfs/dbraw/zinc/15/49/30/264154930.db2.gz OAROZMPAEPQIGW-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347089124 264154933 /nfs/dbraw/zinc/15/49/33/264154933.db2.gz OAROZMPAEPQIGW-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1Cl)C1CC[NH2+]CC1 ZINC000347092806 264155642 /nfs/dbraw/zinc/15/56/42/264155642.db2.gz GGDSHLJXCQPVOG-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1Cl)C1CC[NH2+]CC1 ZINC000347092806 264155644 /nfs/dbraw/zinc/15/56/44/264155644.db2.gz GGDSHLJXCQPVOG-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105275 264157399 /nfs/dbraw/zinc/15/73/99/264157399.db2.gz MWHDTHQVCAYUHB-WFASDCNBSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105275 264157400 /nfs/dbraw/zinc/15/74/00/264157400.db2.gz MWHDTHQVCAYUHB-WFASDCNBSA-N 2 2 316.367 3.329 20 0 DGADLP CCC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)C1CC[NH2+]CC1 ZINC000347111774 264159017 /nfs/dbraw/zinc/15/90/17/264159017.db2.gz OSGMIDKLYKTMIV-CYBMUJFWSA-N 2 2 307.507 3.232 20 0 DGADLP CCC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)C1CC[NH2+]CC1 ZINC000347111774 264159019 /nfs/dbraw/zinc/15/90/19/264159019.db2.gz OSGMIDKLYKTMIV-CYBMUJFWSA-N 2 2 307.507 3.232 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347165277 264167813 /nfs/dbraw/zinc/16/78/13/264167813.db2.gz JSTPPXKZCMSDIH-IBGZPJMESA-N 3 2 317.521 3.076 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347165277 264167814 /nfs/dbraw/zinc/16/78/14/264167814.db2.gz JSTPPXKZCMSDIH-IBGZPJMESA-N 3 2 317.521 3.076 20 0 DGADLP C[NH2+]C[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347165277 264167815 /nfs/dbraw/zinc/16/78/15/264167815.db2.gz JSTPPXKZCMSDIH-IBGZPJMESA-N 3 2 317.521 3.076 20 0 DGADLP C[NH2+]C[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347165277 264167816 /nfs/dbraw/zinc/16/78/16/264167816.db2.gz JSTPPXKZCMSDIH-IBGZPJMESA-N 3 2 317.521 3.076 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)Cc1c(C)[nH+]c2ccccn21 ZINC000347313077 264195362 /nfs/dbraw/zinc/19/53/62/264195362.db2.gz QGFHEIAHKNXALP-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)s1 ZINC000347632005 264255409 /nfs/dbraw/zinc/25/54/09/264255409.db2.gz GDWQYEDQKRERKB-MRXNPFEDSA-N 2 2 315.486 3.269 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)s1 ZINC000347632005 264255413 /nfs/dbraw/zinc/25/54/13/264255413.db2.gz GDWQYEDQKRERKB-MRXNPFEDSA-N 2 2 315.486 3.269 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2cccs2)C2CC2)s1 ZINC000347647836 264259000 /nfs/dbraw/zinc/25/90/00/264259000.db2.gz LVAUKALBVAQNQQ-UHFFFAOYSA-N 2 2 307.488 3.431 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2cccs2)C2CC2)s1 ZINC000347647836 264259001 /nfs/dbraw/zinc/25/90/01/264259001.db2.gz LVAUKALBVAQNQQ-UHFFFAOYSA-N 2 2 307.488 3.431 20 0 DGADLP COc1ccc([C@@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657533 264261131 /nfs/dbraw/zinc/26/11/31/264261131.db2.gz UIEQDHMVEUMKNT-CYBMUJFWSA-N 2 2 319.474 3.406 20 0 DGADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657533 264261133 /nfs/dbraw/zinc/26/11/33/264261133.db2.gz UIEQDHMVEUMKNT-CYBMUJFWSA-N 2 2 319.474 3.406 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347901623 264302516 /nfs/dbraw/zinc/30/25/16/264302516.db2.gz LILCVNPRVIRQMF-VQIMIIECSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1ccncc1CCC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000347930389 264308706 /nfs/dbraw/zinc/30/87/06/264308706.db2.gz XPLVMGIYMOKIND-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000347930389 264308708 /nfs/dbraw/zinc/30/87/08/264308708.db2.gz XPLVMGIYMOKIND-UHFFFAOYSA-N 3 2 320.440 3.357 20 0 DGADLP CSC1(C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000348006871 264322041 /nfs/dbraw/zinc/32/20/41/264322041.db2.gz HSRWWRAFLOESQV-UHFFFAOYSA-N 2 2 314.564 3.223 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000348044790 264327740 /nfs/dbraw/zinc/32/77/40/264327740.db2.gz PXRUMPUKUQBPQS-SFHVURJKSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000348052425 264329837 /nfs/dbraw/zinc/32/98/37/264329837.db2.gz YILFTLVSLUTECQ-GOSISDBHSA-N 2 2 323.484 3.359 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000348092163 264338531 /nfs/dbraw/zinc/33/85/31/264338531.db2.gz NHXYIEUAKMGBEU-MSOLQXFVSA-N 2 2 320.502 3.100 20 0 DGADLP Fc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccncc43)CC2)c1 ZINC000348105156 264341028 /nfs/dbraw/zinc/34/10/28/264341028.db2.gz KLASXFARLHAZGI-UHFFFAOYSA-N 2 2 322.387 3.091 20 0 DGADLP COc1cccc(COCC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000348141977 264350607 /nfs/dbraw/zinc/35/06/07/264350607.db2.gz MXGDLLOSLBYUKW-UHFFFAOYSA-N 2 2 314.429 3.138 20 0 DGADLP Cc1cc(C)c2c(c1)C[N@H+](Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000348177336 264358828 /nfs/dbraw/zinc/35/88/28/264358828.db2.gz YKKFQJNNQAYKKQ-UHFFFAOYSA-N 2 2 315.486 3.380 20 0 DGADLP Cc1cc(C)c2c(c1)C[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000348177336 264358831 /nfs/dbraw/zinc/35/88/31/264358831.db2.gz YKKFQJNNQAYKKQ-UHFFFAOYSA-N 2 2 315.486 3.380 20 0 DGADLP CCC1(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCOCC1 ZINC000348195902 264362651 /nfs/dbraw/zinc/36/26/51/264362651.db2.gz ZMNWGQQGEBCQGX-UHFFFAOYSA-N 2 2 313.445 3.228 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000348208754 264365381 /nfs/dbraw/zinc/36/53/81/264365381.db2.gz UULOXKHLPYVMMC-GFCCVEGCSA-N 2 2 310.429 3.136 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000348213315 264366325 /nfs/dbraw/zinc/36/63/25/264366325.db2.gz IOSWQFGYFFRTGV-NJAFHUGGSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000348213315 264366327 /nfs/dbraw/zinc/36/63/27/264366327.db2.gz IOSWQFGYFFRTGV-NJAFHUGGSA-N 2 2 304.503 3.382 20 0 DGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000348222377 264366898 /nfs/dbraw/zinc/36/68/98/264366898.db2.gz QWPMXXDSEVMOBA-INIZCTEOSA-N 2 2 316.445 3.151 20 0 DGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000348222377 264366899 /nfs/dbraw/zinc/36/68/99/264366899.db2.gz QWPMXXDSEVMOBA-INIZCTEOSA-N 2 2 316.445 3.151 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348285806 264382772 /nfs/dbraw/zinc/38/27/72/264382772.db2.gz WYBBKOSCEXEVND-QRVBRYPASA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348285806 264382773 /nfs/dbraw/zinc/38/27/73/264382773.db2.gz WYBBKOSCEXEVND-QRVBRYPASA-N 2 2 302.462 3.056 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000348302052 264384865 /nfs/dbraw/zinc/38/48/65/264384865.db2.gz LILWQLGNNJLKNP-CVEARBPZSA-N 2 2 321.513 3.023 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(C)C ZINC000348302089 264385712 /nfs/dbraw/zinc/38/57/12/264385712.db2.gz LTJKAAJJYWPEFJ-SJORKVTESA-N 2 2 306.498 3.454 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(F)c(F)c1 ZINC000349346238 264513672 /nfs/dbraw/zinc/51/36/72/264513672.db2.gz JWUNGHBTMBGOTL-UHFFFAOYSA-N 2 2 300.368 3.412 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(F)c(F)c1 ZINC000349346238 264513673 /nfs/dbraw/zinc/51/36/73/264513673.db2.gz JWUNGHBTMBGOTL-UHFFFAOYSA-N 2 2 300.368 3.412 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C2CCC2)o1 ZINC000349447165 264521937 /nfs/dbraw/zinc/52/19/37/264521937.db2.gz CBVCIHZWPOLADF-IEBWSBKVSA-N 2 2 320.477 3.112 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc4ccccc4o3)CC2)c1 ZINC000352337350 265007150 /nfs/dbraw/zinc/00/71/50/265007150.db2.gz GSEYDIIRIHLYMR-UHFFFAOYSA-N 2 2 307.397 3.458 20 0 DGADLP CC[C@]1(C[NH2+]Cc2cccc3[nH+]ccn32)OCCc2ccccc21 ZINC000352454790 265055269 /nfs/dbraw/zinc/05/52/69/265055269.db2.gz VVFBYLMKYYWMIK-HXUWFJFHSA-N 2 2 321.424 3.302 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCCOC1 ZINC000352518421 265077263 /nfs/dbraw/zinc/07/72/63/265077263.db2.gz IBAZPIWZXUHASL-QFHJOOASSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCCOC1 ZINC000352518421 265077265 /nfs/dbraw/zinc/07/72/65/265077265.db2.gz IBAZPIWZXUHASL-QFHJOOASSA-N 2 2 302.462 3.054 20 0 DGADLP COCCC[N@H+](C)CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352636740 265111998 /nfs/dbraw/zinc/11/19/98/265111998.db2.gz LHRRAFKWEIRXKN-UHFFFAOYSA-N 2 2 310.869 3.144 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352636740 265112001 /nfs/dbraw/zinc/11/20/01/265112001.db2.gz LHRRAFKWEIRXKN-UHFFFAOYSA-N 2 2 310.869 3.144 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352702064 265134668 /nfs/dbraw/zinc/13/46/68/265134668.db2.gz QPMIECIDFAGYHH-UHFFFAOYSA-N 2 2 301.434 3.280 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3c(O)cccc32)s1 ZINC000352706666 265135912 /nfs/dbraw/zinc/13/59/12/265135912.db2.gz PKCICLSWWZYWFN-OAHLLOKOSA-N 2 2 317.458 3.078 20 0 DGADLP Cc1cc(C)c(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1 ZINC000352782483 265164729 /nfs/dbraw/zinc/16/47/29/265164729.db2.gz VJGRQBJBWWRMCD-UHFFFAOYSA-N 2 2 303.475 3.420 20 0 DGADLP C(=C\c1ccccc1)\C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000352966568 265249940 /nfs/dbraw/zinc/24/99/40/265249940.db2.gz JPZGMVGTZVFSES-YVMONPNESA-N 2 2 307.441 3.349 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007538 265263400 /nfs/dbraw/zinc/26/34/00/265263400.db2.gz VEMSXRVSNIWLLS-DOMZBBRYSA-N 2 2 319.499 3.398 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007538 265263404 /nfs/dbraw/zinc/26/34/04/265263404.db2.gz VEMSXRVSNIWLLS-DOMZBBRYSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007538 265263407 /nfs/dbraw/zinc/26/34/07/265263407.db2.gz VEMSXRVSNIWLLS-DOMZBBRYSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007538 265263409 /nfs/dbraw/zinc/26/34/09/265263409.db2.gz VEMSXRVSNIWLLS-DOMZBBRYSA-N 2 2 319.499 3.398 20 0 DGADLP Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000353072591 265287813 /nfs/dbraw/zinc/28/78/13/265287813.db2.gz MQOLBRXCSNYHOG-SFHVURJKSA-N 2 2 319.408 3.274 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000353102073 265298508 /nfs/dbraw/zinc/29/85/08/265298508.db2.gz ZSFQEELSGXJYLK-FOWTUZBSSA-N 2 2 302.462 3.310 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1O ZINC000353265655 265368433 /nfs/dbraw/zinc/36/84/33/265368433.db2.gz ZFBOVDJVZVUFIY-ZFWWWQNUSA-N 2 2 315.417 3.134 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1O ZINC000353265652 265369200 /nfs/dbraw/zinc/36/92/00/265369200.db2.gz ZFBOVDJVZVUFIY-UKRRQHHQSA-N 2 2 315.417 3.134 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000353521133 265452327 /nfs/dbraw/zinc/45/23/27/265452327.db2.gz PECJBQBMGAOOPP-UHFFFAOYSA-N 2 2 301.434 3.039 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000353521133 265452331 /nfs/dbraw/zinc/45/23/31/265452331.db2.gz PECJBQBMGAOOPP-UHFFFAOYSA-N 2 2 301.434 3.039 20 0 DGADLP COC1CC[NH+](C2(CNc3cccc(C)[nH+]3)CCCC2)CC1 ZINC000354892416 265908362 /nfs/dbraw/zinc/90/83/62/265908362.db2.gz MQBLPHLHVHWFJE-UHFFFAOYSA-N 2 2 303.450 3.226 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238748 266013011 /nfs/dbraw/zinc/01/30/11/266013011.db2.gz NWOUFZJYDWLSML-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238748 266013014 /nfs/dbraw/zinc/01/30/14/266013014.db2.gz NWOUFZJYDWLSML-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238748 266013016 /nfs/dbraw/zinc/01/30/16/266013016.db2.gz NWOUFZJYDWLSML-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OC(C)(C)C4)CC[C@@H]21 ZINC000355238748 266013021 /nfs/dbraw/zinc/01/30/21/266013021.db2.gz NWOUFZJYDWLSML-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000355254350 266017684 /nfs/dbraw/zinc/01/76/84/266017684.db2.gz NFJQYXXDSKFFJK-QFBILLFUSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000355254350 266017687 /nfs/dbraw/zinc/01/76/87/266017687.db2.gz NFJQYXXDSKFFJK-QFBILLFUSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000355358707 266050324 /nfs/dbraw/zinc/05/03/24/266050324.db2.gz AINIMROGIDYJOV-AEFFLSMTSA-N 2 2 319.493 3.127 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000355358707 266050326 /nfs/dbraw/zinc/05/03/26/266050326.db2.gz AINIMROGIDYJOV-AEFFLSMTSA-N 2 2 319.493 3.127 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000355773512 266178557 /nfs/dbraw/zinc/17/85/57/266178557.db2.gz NFBRKDXPDCRQHM-PBWTXFEYSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000355773512 266178561 /nfs/dbraw/zinc/17/85/61/266178561.db2.gz NFBRKDXPDCRQHM-PBWTXFEYSA-N 2 2 302.462 3.054 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000356298805 266345492 /nfs/dbraw/zinc/34/54/92/266345492.db2.gz PVDFMOHVHSPCGG-MDWZMJQESA-N 2 2 319.355 3.404 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000356298805 266345497 /nfs/dbraw/zinc/34/54/97/266345497.db2.gz PVDFMOHVHSPCGG-MDWZMJQESA-N 2 2 319.355 3.404 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN(C)CC[NH+](C(C)C)C(C)C ZINC000356383905 266376049 /nfs/dbraw/zinc/37/60/49/266376049.db2.gz KXSZBFBHVOEXFN-UHFFFAOYSA-N 2 2 302.466 3.193 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)no1 ZINC000270354409 432235266 /nfs/dbraw/zinc/23/52/66/432235266.db2.gz QLQKRQHSZSOXCO-INIZCTEOSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)no1 ZINC000270354409 432235269 /nfs/dbraw/zinc/23/52/69/432235269.db2.gz QLQKRQHSZSOXCO-INIZCTEOSA-N 2 2 310.401 3.306 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191212780 432236114 /nfs/dbraw/zinc/23/61/14/432236114.db2.gz GPUFDKGPXCEUMV-NSHDSACASA-N 2 2 302.871 3.163 20 0 DGADLP O=C(C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1cccs1 ZINC000182944902 432245799 /nfs/dbraw/zinc/24/57/99/432245799.db2.gz HFFCITGTXIGGOZ-AWEZNQCLSA-N 2 2 303.431 3.072 20 0 DGADLP O=C(C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1cccs1 ZINC000182944902 432245805 /nfs/dbraw/zinc/24/58/05/432245805.db2.gz HFFCITGTXIGGOZ-AWEZNQCLSA-N 2 2 303.431 3.072 20 0 DGADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000367609943 271050784 /nfs/dbraw/zinc/05/07/84/271050784.db2.gz YRGGJEQQGPDLOI-IPMKNSEASA-N 2 2 313.445 3.214 20 0 DGADLP CC(C)n1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000369556960 271292672 /nfs/dbraw/zinc/29/26/72/271292672.db2.gz QUARZTSZVNDKPF-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000369556960 271292677 /nfs/dbraw/zinc/29/26/77/271292677.db2.gz QUARZTSZVNDKPF-GOSISDBHSA-N 2 2 318.509 3.408 20 0 DGADLP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1C ZINC000370456283 271360844 /nfs/dbraw/zinc/36/08/44/271360844.db2.gz AKWGSVMQWHVDBW-INIZCTEOSA-N 2 2 315.465 3.082 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1C(C)(C)C ZINC000191334335 432251776 /nfs/dbraw/zinc/25/17/76/432251776.db2.gz XRKHKLSWXRZGLS-YDHLFZDLSA-N 2 2 304.482 3.222 20 0 DGADLP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247892989 432252131 /nfs/dbraw/zinc/25/21/31/432252131.db2.gz FXADTODANNARIC-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247892989 432252136 /nfs/dbraw/zinc/25/21/36/432252136.db2.gz FXADTODANNARIC-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963043 432256304 /nfs/dbraw/zinc/25/63/04/432256304.db2.gz DBUSQURYZYVVJU-OALUTQOASA-N 3 2 307.526 3.059 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963043 432256307 /nfs/dbraw/zinc/25/63/07/432256307.db2.gz DBUSQURYZYVVJU-OALUTQOASA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963043 432256310 /nfs/dbraw/zinc/25/63/10/432256310.db2.gz DBUSQURYZYVVJU-OALUTQOASA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247963043 432256315 /nfs/dbraw/zinc/25/63/15/432256315.db2.gz DBUSQURYZYVVJU-OALUTQOASA-N 3 2 307.526 3.059 20 0 DGADLP CCC[C@H](O)C[NH+]1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000296302960 273621534 /nfs/dbraw/zinc/62/15/34/273621534.db2.gz MWZQGKGWXZNEBM-INIZCTEOSA-N 2 2 315.461 3.397 20 0 DGADLP CCC[C@H](O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000296147777 273621598 /nfs/dbraw/zinc/62/15/98/273621598.db2.gz XRLCKFXJBFQPFA-INIZCTEOSA-N 2 2 301.434 3.143 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000183090182 432258103 /nfs/dbraw/zinc/25/81/03/432258103.db2.gz YEXIQTVACVLXBN-IAGOWNOFSA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000183090182 432258107 /nfs/dbraw/zinc/25/81/07/432258107.db2.gz YEXIQTVACVLXBN-IAGOWNOFSA-N 2 2 320.477 3.011 20 0 DGADLP COC1(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339443741 274013825 /nfs/dbraw/zinc/01/38/25/274013825.db2.gz DGFPJDLRMBFOBV-WMZOPIPTSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339443741 274013827 /nfs/dbraw/zinc/01/38/27/274013827.db2.gz DGFPJDLRMBFOBV-WMZOPIPTSA-N 2 2 302.462 3.371 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000415137242 274095427 /nfs/dbraw/zinc/09/54/27/274095427.db2.gz YDCLUZGSPRHXSE-CMPLNLGQSA-N 2 2 317.260 3.419 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000415137242 274095428 /nfs/dbraw/zinc/09/54/28/274095428.db2.gz YDCLUZGSPRHXSE-CMPLNLGQSA-N 2 2 317.260 3.419 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340174481 274111080 /nfs/dbraw/zinc/11/10/80/274111080.db2.gz OPKCPJWHMFSMPO-ZWKOTPCHSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340174481 274111081 /nfs/dbraw/zinc/11/10/81/274111081.db2.gz OPKCPJWHMFSMPO-ZWKOTPCHSA-N 2 2 311.429 3.015 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000276167593 274139040 /nfs/dbraw/zinc/13/90/40/274139040.db2.gz RXUHILHDFPAMGG-IKGGRYGDSA-N 2 2 318.486 3.449 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000276167593 274139042 /nfs/dbraw/zinc/13/90/42/274139042.db2.gz RXUHILHDFPAMGG-IKGGRYGDSA-N 2 2 318.486 3.449 20 0 DGADLP COc1cccc2c(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc[nH+]c12 ZINC000275845681 274150594 /nfs/dbraw/zinc/15/05/94/274150594.db2.gz QRYJPISKOGNAKR-ZBFHGGJFSA-N 2 2 311.429 3.164 20 0 DGADLP COc1cccc2c(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc[nH+]c12 ZINC000275845681 274150596 /nfs/dbraw/zinc/15/05/96/274150596.db2.gz QRYJPISKOGNAKR-ZBFHGGJFSA-N 2 2 311.429 3.164 20 0 DGADLP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](c2ccccc2)O1 ZINC000268120486 274349202 /nfs/dbraw/zinc/34/92/02/274349202.db2.gz NOPKZMOQUTWNCZ-NZSAHSFTSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](c2ccccc2)O1 ZINC000268120486 274349205 /nfs/dbraw/zinc/34/92/05/274349205.db2.gz NOPKZMOQUTWNCZ-NZSAHSFTSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H](c2ccccc2)O1 ZINC000268120486 274349207 /nfs/dbraw/zinc/34/92/07/274349207.db2.gz NOPKZMOQUTWNCZ-NZSAHSFTSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H](c2ccccc2)O1 ZINC000268120486 274349210 /nfs/dbraw/zinc/34/92/10/274349210.db2.gz NOPKZMOQUTWNCZ-NZSAHSFTSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1[nH]c2ccccc2[nH+]1 ZINC000301890994 274354275 /nfs/dbraw/zinc/35/42/75/274354275.db2.gz RDYNLXFUTPYEER-OAHLLOKOSA-N 2 2 306.413 3.274 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1[nH]c2ccccc2[nH+]1 ZINC000301890994 274354276 /nfs/dbraw/zinc/35/42/76/274354276.db2.gz RDYNLXFUTPYEER-OAHLLOKOSA-N 2 2 306.413 3.274 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000295986994 274850861 /nfs/dbraw/zinc/85/08/61/274850861.db2.gz LPGLVCKBIVBZFS-UHFFFAOYSA-N 2 2 321.428 3.159 20 0 DGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420261135 274907065 /nfs/dbraw/zinc/90/70/65/274907065.db2.gz OXAURNDILOECBH-OLZOCXBDSA-N 2 2 321.346 3.299 20 0 DGADLP Fc1cc(F)cc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000124678316 274909676 /nfs/dbraw/zinc/90/96/76/274909676.db2.gz SJFUUAGRWQJODC-UHFFFAOYSA-N 2 2 317.383 3.161 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C1CCCC1 ZINC000415056140 274947489 /nfs/dbraw/zinc/94/74/89/274947489.db2.gz ROBTWLLSJJJWQH-CQSZACIVSA-N 2 2 315.230 3.195 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000343785821 275073184 /nfs/dbraw/zinc/07/31/84/275073184.db2.gz DXHARUJVICEVGE-CXAGYDPISA-N 2 2 306.413 3.346 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000423177589 275372384 /nfs/dbraw/zinc/37/23/84/275372384.db2.gz AXVLGWSLXKDVOA-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)[C@H]1CCC[NH2+]CC1 ZINC000435393410 276144311 /nfs/dbraw/zinc/14/43/11/276144311.db2.gz ZMHZCDBGAJADHT-KBPBESRZSA-N 2 2 307.507 3.232 20 0 DGADLP CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)[C@H]1CCC[NH2+]CC1 ZINC000435393410 276144312 /nfs/dbraw/zinc/14/43/12/276144312.db2.gz ZMHZCDBGAJADHT-KBPBESRZSA-N 2 2 307.507 3.232 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285569079 276175166 /nfs/dbraw/zinc/17/51/66/276175166.db2.gz HVFCUAHNIZIOGB-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285569079 276175167 /nfs/dbraw/zinc/17/51/67/276175167.db2.gz HVFCUAHNIZIOGB-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 ZINC000483686657 276252732 /nfs/dbraw/zinc/25/27/32/276252732.db2.gz AYBFTZJWVCTZME-GDAAHCPNSA-N 2 2 302.462 3.145 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 ZINC000483686657 276252733 /nfs/dbraw/zinc/25/27/33/276252733.db2.gz AYBFTZJWVCTZME-GDAAHCPNSA-N 2 2 302.462 3.145 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423551620 276271894 /nfs/dbraw/zinc/27/18/94/276271894.db2.gz GIDNWMKVIWFJPT-IUODEOHRSA-N 2 2 317.260 3.413 20 0 DGADLP C[NH+](C)CCOc1ccc([NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000294665175 276763180 /nfs/dbraw/zinc/76/31/80/276763180.db2.gz CHVQLJJQKQNCER-INIZCTEOSA-N 2 2 304.434 3.141 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000535692425 430166757 /nfs/dbraw/zinc/16/67/57/430166757.db2.gz DTFOQBSWEAJMEB-UHFFFAOYSA-N 2 2 320.440 3.084 20 0 DGADLP C[N@@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@@H]21 ZINC000450396297 277085389 /nfs/dbraw/zinc/08/53/89/277085389.db2.gz VPOBJOOBXXZRMQ-BBRMVZONSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@@H]21 ZINC000450396297 277085390 /nfs/dbraw/zinc/08/53/90/277085390.db2.gz VPOBJOOBXXZRMQ-BBRMVZONSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)C[C@H]1c1ccccc1 ZINC000340262934 277173372 /nfs/dbraw/zinc/17/33/72/277173372.db2.gz ZARBMWGNWSGIQB-MJUUVYJYSA-N 2 2 322.452 3.070 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)C[C@H]1c1ccccc1 ZINC000340262934 277173373 /nfs/dbraw/zinc/17/33/73/277173373.db2.gz ZARBMWGNWSGIQB-MJUUVYJYSA-N 2 2 322.452 3.070 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481252 277260086 /nfs/dbraw/zinc/26/00/86/277260086.db2.gz RSVBPEIYZXMBEY-JLJPHGGASA-N 2 2 322.880 3.285 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481252 277260088 /nfs/dbraw/zinc/26/00/88/277260088.db2.gz RSVBPEIYZXMBEY-JLJPHGGASA-N 2 2 322.880 3.285 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491547363 277364015 /nfs/dbraw/zinc/36/40/15/277364015.db2.gz OUOWRDPPRMXUBE-SNVBAGLBSA-N 2 2 305.249 3.289 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000542764561 430223237 /nfs/dbraw/zinc/22/32/37/430223237.db2.gz JPAUXIJQTASPHH-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000542764561 430223243 /nfs/dbraw/zinc/22/32/43/430223243.db2.gz JPAUXIJQTASPHH-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423530590 277984169 /nfs/dbraw/zinc/98/41/69/277984169.db2.gz PTMXVIKFZNZQAH-PCCBWWKXSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1C[NH3+] ZINC000422561892 278006138 /nfs/dbraw/zinc/00/61/38/278006138.db2.gz OBMDAVISDPAOCU-GRYCIOLGSA-N 2 2 307.438 3.241 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1C[NH3+] ZINC000422561892 278006139 /nfs/dbraw/zinc/00/61/39/278006139.db2.gz OBMDAVISDPAOCU-GRYCIOLGSA-N 2 2 307.438 3.241 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000076898033 278172682 /nfs/dbraw/zinc/17/26/82/278172682.db2.gz CXYOVBNVFNEAKL-GFCCVEGCSA-N 2 2 317.260 3.194 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2csnn2)CC1 ZINC000180182795 278331564 /nfs/dbraw/zinc/33/15/64/278331564.db2.gz XPBNHOMRFFRINH-AWEZNQCLSA-N 2 2 308.495 3.015 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2csnn2)CC1 ZINC000180182795 278331566 /nfs/dbraw/zinc/33/15/66/278331566.db2.gz XPBNHOMRFFRINH-AWEZNQCLSA-N 2 2 308.495 3.015 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)COC2 ZINC000423429680 278355838 /nfs/dbraw/zinc/35/58/38/278355838.db2.gz PEQIAUWUBNGDPF-JLTOFOAXSA-N 2 2 308.425 3.254 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000422718061 278358673 /nfs/dbraw/zinc/35/86/73/278358673.db2.gz WTKJLWKHNVJXCK-YLJYHZDGSA-N 3 2 315.505 3.293 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000427883934 278376634 /nfs/dbraw/zinc/37/66/34/278376634.db2.gz GOKNAQLUTIGCSM-VXGBXAGGSA-N 2 2 320.234 3.311 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)c2ccccc2)CC1 ZINC000192495299 278551306 /nfs/dbraw/zinc/55/13/06/278551306.db2.gz COONDGKHDNGNBE-DFQSSKMNSA-N 2 2 316.489 3.474 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000422935876 279373227 /nfs/dbraw/zinc/37/32/27/279373227.db2.gz AYFIJFLCNNHCCV-RVKKMQEKSA-N 2 2 302.462 3.156 20 0 DGADLP CC(C)c1nc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc[nH+]1 ZINC000110113956 431181642 /nfs/dbraw/zinc/18/16/42/431181642.db2.gz JUGACKZINXCDIY-HNNXBMFYSA-N 2 2 302.397 3.454 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000111240961 431198290 /nfs/dbraw/zinc/19/82/90/431198290.db2.gz IWWVMXCCWOMJPQ-UHFFFAOYSA-N 3 2 312.461 3.179 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000111240961 431198303 /nfs/dbraw/zinc/19/83/03/431198303.db2.gz IWWVMXCCWOMJPQ-UHFFFAOYSA-N 3 2 312.461 3.179 20 0 DGADLP FC(F)Oc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244640 431200854 /nfs/dbraw/zinc/20/08/54/431200854.db2.gz QYMFHAUXMVRZFX-UHFFFAOYSA-N 2 2 307.344 3.322 20 0 DGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069803030 431221448 /nfs/dbraw/zinc/22/14/48/431221448.db2.gz ZGNVEVAYNPSQBO-SFHVURJKSA-N 2 2 324.468 3.384 20 0 DGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069803030 431221454 /nfs/dbraw/zinc/22/14/54/431221454.db2.gz ZGNVEVAYNPSQBO-SFHVURJKSA-N 2 2 324.468 3.384 20 0 DGADLP Cc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000112080785 431246452 /nfs/dbraw/zinc/24/64/52/431246452.db2.gz PSQSQOHFIYKZFI-INIZCTEOSA-N 2 2 323.444 3.276 20 0 DGADLP Cc1cc(N[C@H]2CC[N@H+](C3CCCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000112080785 431246460 /nfs/dbraw/zinc/24/64/60/431246460.db2.gz PSQSQOHFIYKZFI-INIZCTEOSA-N 2 2 323.444 3.276 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000428463977 279618672 /nfs/dbraw/zinc/61/86/72/279618672.db2.gz WPVOXZKQIZFAKV-JTDSTZFVSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113934671 431369313 /nfs/dbraw/zinc/36/93/13/431369313.db2.gz ABOHFSYAQYNLOO-MAUKXSAKSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934671 431369320 /nfs/dbraw/zinc/36/93/20/431369320.db2.gz ABOHFSYAQYNLOO-MAUKXSAKSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934671 431369327 /nfs/dbraw/zinc/36/93/27/431369327.db2.gz ABOHFSYAQYNLOO-MAUKXSAKSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934671 431369330 /nfs/dbraw/zinc/36/93/30/431369330.db2.gz ABOHFSYAQYNLOO-MAUKXSAKSA-N 2 2 318.509 3.123 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000113514368 431350742 /nfs/dbraw/zinc/35/07/42/431350742.db2.gz IQFHKIVVLRFLIJ-CYBMUJFWSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000113514368 431350749 /nfs/dbraw/zinc/35/07/49/431350749.db2.gz IQFHKIVVLRFLIJ-CYBMUJFWSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000113515182 431352994 /nfs/dbraw/zinc/35/29/94/431352994.db2.gz UUYDFONACMRZDS-LBPRGKRZSA-N 2 2 321.371 3.003 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000113515182 431353004 /nfs/dbraw/zinc/35/30/04/431353004.db2.gz UUYDFONACMRZDS-LBPRGKRZSA-N 2 2 321.371 3.003 20 0 DGADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152837906 280025338 /nfs/dbraw/zinc/02/53/38/280025338.db2.gz NPOOGWZFLBFLTD-ORAYPTAESA-N 2 2 313.420 3.424 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422903502 280275061 /nfs/dbraw/zinc/27/50/61/280275061.db2.gz WGEINAACLYXERG-VHDGCEQUSA-N 2 2 302.418 3.159 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(F)cc1Br ZINC000020052154 431621451 /nfs/dbraw/zinc/62/14/51/431621451.db2.gz FCSAGOJOWZEGND-UHFFFAOYSA-N 2 2 317.246 3.410 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000020545460 431624661 /nfs/dbraw/zinc/62/46/61/431624661.db2.gz NCEDDSAAOQCRRC-UHFFFAOYSA-N 2 2 304.356 3.263 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000118960564 431630203 /nfs/dbraw/zinc/63/02/03/431630203.db2.gz GYJHBBPQQFSTBG-ZDUSSCGKSA-N 2 2 322.250 3.380 20 0 DGADLP Cc1cc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000119281975 431671952 /nfs/dbraw/zinc/67/19/52/431671952.db2.gz JNKFSOMBPJMPPA-GJZGRUSLSA-N 2 2 318.465 3.270 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128900 431814176 /nfs/dbraw/zinc/81/41/76/431814176.db2.gz VYQMPVGQYKPOKW-OAHLLOKOSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128900 431814181 /nfs/dbraw/zinc/81/41/81/431814181.db2.gz VYQMPVGQYKPOKW-OAHLLOKOSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128900 431814185 /nfs/dbraw/zinc/81/41/85/431814185.db2.gz VYQMPVGQYKPOKW-OAHLLOKOSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000122128900 431814189 /nfs/dbraw/zinc/81/41/89/431814189.db2.gz VYQMPVGQYKPOKW-OAHLLOKOSA-N 2 2 306.425 3.062 20 0 DGADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423210460 280728780 /nfs/dbraw/zinc/72/87/80/280728780.db2.gz WRUCSVQETONODV-CABCVRRESA-N 2 2 313.470 3.447 20 0 DGADLP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1O ZINC000080847816 431775736 /nfs/dbraw/zinc/77/57/36/431775736.db2.gz MQZMWDNUTRYJPE-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1O ZINC000080847816 431775741 /nfs/dbraw/zinc/77/57/41/431775741.db2.gz MQZMWDNUTRYJPE-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000121403217 431781014 /nfs/dbraw/zinc/78/10/14/431781014.db2.gz IHHQLAZKWAEBQG-OTWHNJEPSA-N 2 2 314.473 3.056 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000121403217 431781021 /nfs/dbraw/zinc/78/10/21/431781021.db2.gz IHHQLAZKWAEBQG-OTWHNJEPSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000037157237 431845055 /nfs/dbraw/zinc/84/50/55/431845055.db2.gz PRHYZIZSVYQPCZ-NEPJUHHUSA-N 2 2 308.223 3.385 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122840694 431846327 /nfs/dbraw/zinc/84/63/27/431846327.db2.gz OFOMOGNNGKUTNI-HNNXBMFYSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@@H](C[NH2+]C1CC(c2cccc(Br)c2)C1)[NH+](C)C ZINC000038087775 431855213 /nfs/dbraw/zinc/85/52/13/431855213.db2.gz RZLAZSCPXFDHBA-ZOODHJKOSA-N 2 2 311.267 3.235 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000123137505 431856604 /nfs/dbraw/zinc/85/66/04/431856604.db2.gz AAJMJBWMDFJCTR-JXFKEZNVSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000123137505 431856605 /nfs/dbraw/zinc/85/66/05/431856605.db2.gz AAJMJBWMDFJCTR-JXFKEZNVSA-N 2 2 316.489 3.228 20 0 DGADLP CCn1cc[nH+]c1CN(CC[NH+](CC)CC)Cc1cccs1 ZINC000088537598 431858484 /nfs/dbraw/zinc/85/84/84/431858484.db2.gz FMLYAOMLOAGAPG-UHFFFAOYSA-N 2 2 320.506 3.309 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)cs2)CC[C@@H]1[NH3+] ZINC000122365686 431829799 /nfs/dbraw/zinc/82/97/99/431829799.db2.gz CXPDIHCJDYQOQN-SKDRFNHKSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)cs2)CC[C@@H]1[NH3+] ZINC000122365686 431829803 /nfs/dbraw/zinc/82/98/03/431829803.db2.gz CXPDIHCJDYQOQN-SKDRFNHKSA-N 2 2 303.269 3.070 20 0 DGADLP COCc1ccc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)o1 ZINC000125143117 431915474 /nfs/dbraw/zinc/91/54/74/431915474.db2.gz IQDQWQWKWACXAW-UHFFFAOYSA-N 2 2 313.401 3.264 20 0 DGADLP CC(C)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000090230705 431890562 /nfs/dbraw/zinc/89/05/62/431890562.db2.gz YGKWIGBQVCVRKY-AEFFLSMTSA-N 2 2 301.478 3.318 20 0 DGADLP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000090230705 431890564 /nfs/dbraw/zinc/89/05/64/431890564.db2.gz YGKWIGBQVCVRKY-AEFFLSMTSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(Br)c2)CC[N@@H+]1C ZINC000090721669 431894790 /nfs/dbraw/zinc/89/47/90/431894790.db2.gz KCHFFXXGJZLEOJ-MWLCHTKSSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(Br)c2)CC[N@H+]1C ZINC000090721669 431894791 /nfs/dbraw/zinc/89/47/91/431894791.db2.gz KCHFFXXGJZLEOJ-MWLCHTKSSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000091279586 431904271 /nfs/dbraw/zinc/90/42/71/431904271.db2.gz WSNDETIENIQAIB-FCEWJHQRSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000091279586 431904272 /nfs/dbraw/zinc/90/42/72/431904272.db2.gz WSNDETIENIQAIB-FCEWJHQRSA-N 2 2 302.462 3.227 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000125500305 431927284 /nfs/dbraw/zinc/92/72/84/431927284.db2.gz OQECYDQMBZIIOA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000125500305 431927286 /nfs/dbraw/zinc/92/72/86/431927286.db2.gz OQECYDQMBZIIOA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051086006 431949646 /nfs/dbraw/zinc/94/96/46/431949646.db2.gz LQZIXHVUZJMTJK-SJORKVTESA-N 2 2 315.461 3.279 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051086006 431949648 /nfs/dbraw/zinc/94/96/48/431949648.db2.gz LQZIXHVUZJMTJK-SJORKVTESA-N 2 2 315.461 3.279 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)CC[N@H+]1C ZINC000126775930 431957986 /nfs/dbraw/zinc/95/79/86/431957986.db2.gz RGWIQZCSVHZQDM-YESZJQIVSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775930 431957988 /nfs/dbraw/zinc/95/79/88/431957988.db2.gz RGWIQZCSVHZQDM-YESZJQIVSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[NH+]1C ZINC000126775930 431957990 /nfs/dbraw/zinc/95/79/90/431957990.db2.gz RGWIQZCSVHZQDM-YESZJQIVSA-N 3 2 321.534 3.032 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126825479 431958339 /nfs/dbraw/zinc/95/83/39/431958339.db2.gz HEAYZBVFIHAOLS-HUUCEWRRSA-N 2 2 316.474 3.101 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126825479 431958341 /nfs/dbraw/zinc/95/83/41/431958341.db2.gz HEAYZBVFIHAOLS-HUUCEWRRSA-N 2 2 316.474 3.101 20 0 DGADLP Cc1ccc([C@H](C[NH2+]CC2=CCCOC2)[NH+]2CCCC2)cc1 ZINC000126884034 431959897 /nfs/dbraw/zinc/95/98/97/431959897.db2.gz CIJWWSNSTBPIBW-IBGZPJMESA-N 2 2 300.446 3.068 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861230 431959950 /nfs/dbraw/zinc/95/99/50/431959950.db2.gz HAHXWWKYOWHZEH-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000126861230 431959952 /nfs/dbraw/zinc/95/99/52/431959952.db2.gz HAHXWWKYOWHZEH-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccncc1Cl ZINC000191490123 432270267 /nfs/dbraw/zinc/27/02/67/432270267.db2.gz JGXAFYBAYCFCGN-UHFFFAOYSA-N 2 2 306.841 3.406 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccncc1Cl ZINC000191490123 432270270 /nfs/dbraw/zinc/27/02/70/432270270.db2.gz JGXAFYBAYCFCGN-UHFFFAOYSA-N 2 2 306.841 3.406 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CCOCC1)Cc1ccccc1 ZINC000151732853 432270959 /nfs/dbraw/zinc/27/09/59/432270959.db2.gz HIVVCOQFCPGONU-YLJYHZDGSA-N 2 2 318.505 3.344 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCS2 ZINC000191523379 432274927 /nfs/dbraw/zinc/27/49/27/432274927.db2.gz HDSRKEMLJKZEIS-GDZNZVCISA-N 2 2 318.486 3.447 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCS2 ZINC000191523379 432274930 /nfs/dbraw/zinc/27/49/30/432274930.db2.gz HDSRKEMLJKZEIS-GDZNZVCISA-N 2 2 318.486 3.447 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000173432802 432278901 /nfs/dbraw/zinc/27/89/01/432278901.db2.gz OGCXOGCISRURQY-CABCVRRESA-N 2 2 308.491 3.027 20 0 DGADLP C[C@H](C[NH2+]Cc1cn(C)nc1C1CCCCC1)Cn1cc[nH+]c1 ZINC000183565805 432303438 /nfs/dbraw/zinc/30/34/38/432303438.db2.gz BPPASAVXOFVJHL-OAHLLOKOSA-N 2 2 315.465 3.090 20 0 DGADLP COc1cccc(C=C2CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000270918098 432303532 /nfs/dbraw/zinc/30/35/32/432303532.db2.gz URVUWJUZIFJMOM-UHFFFAOYSA-N 2 2 311.429 3.380 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183370376 432286959 /nfs/dbraw/zinc/28/69/59/432286959.db2.gz NHPXSXYYBPJCGJ-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183370376 432286961 /nfs/dbraw/zinc/28/69/61/432286961.db2.gz NHPXSXYYBPJCGJ-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000173618707 432290010 /nfs/dbraw/zinc/29/00/10/432290010.db2.gz KQBLAJGQFBZBSM-INIZCTEOSA-N 2 2 317.477 3.093 20 0 DGADLP COCc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)o1 ZINC000128411225 431993711 /nfs/dbraw/zinc/99/37/11/431993711.db2.gz OSXDCCPSNXPJJQ-UHFFFAOYSA-N 2 2 313.401 3.035 20 0 DGADLP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183185415 432267127 /nfs/dbraw/zinc/26/71/27/432267127.db2.gz MUDAHPQOERQMBI-GOSISDBHSA-N 2 2 323.444 3.480 20 0 DGADLP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183185415 432267130 /nfs/dbraw/zinc/26/71/30/432267130.db2.gz MUDAHPQOERQMBI-GOSISDBHSA-N 2 2 323.444 3.480 20 0 DGADLP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183185392 432267519 /nfs/dbraw/zinc/26/75/19/432267519.db2.gz MUDAHPQOERQMBI-SFHVURJKSA-N 2 2 323.444 3.480 20 0 DGADLP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183185392 432267522 /nfs/dbraw/zinc/26/75/22/432267522.db2.gz MUDAHPQOERQMBI-SFHVURJKSA-N 2 2 323.444 3.480 20 0 DGADLP Cc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)[nH+]1 ZINC000152235930 432317122 /nfs/dbraw/zinc/31/71/22/432317122.db2.gz JGLOTKGWMNRQLS-UHFFFAOYSA-N 2 2 312.417 3.082 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000248795151 432317859 /nfs/dbraw/zinc/31/78/59/432317859.db2.gz JCQJACKDWVCBKJ-LLGFUMIMSA-N 2 2 324.468 3.350 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(CO)c1 ZINC000248795151 432317862 /nfs/dbraw/zinc/31/78/62/432317862.db2.gz JCQJACKDWVCBKJ-LLGFUMIMSA-N 2 2 324.468 3.350 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000271031131 432318559 /nfs/dbraw/zinc/31/85/59/432318559.db2.gz GVZSQQHRXUCJJA-UHFFFAOYSA-N 2 2 300.368 3.409 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000271031131 432318562 /nfs/dbraw/zinc/31/85/62/432318562.db2.gz GVZSQQHRXUCJJA-UHFFFAOYSA-N 2 2 300.368 3.409 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000152350013 432326053 /nfs/dbraw/zinc/32/60/53/432326053.db2.gz IQMYFOJXRIKXEV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000152350013 432326058 /nfs/dbraw/zinc/32/60/58/432326058.db2.gz IQMYFOJXRIKXEV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000152350013 432326060 /nfs/dbraw/zinc/32/60/60/432326060.db2.gz IQMYFOJXRIKXEV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152350013 432326065 /nfs/dbraw/zinc/32/60/65/432326065.db2.gz IQMYFOJXRIKXEV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271110930 432329868 /nfs/dbraw/zinc/32/98/68/432329868.db2.gz DGUFAPZPSYZNAV-HNNXBMFYSA-N 2 2 315.465 3.358 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271110930 432329873 /nfs/dbraw/zinc/32/98/73/432329873.db2.gz DGUFAPZPSYZNAV-HNNXBMFYSA-N 2 2 315.465 3.358 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000249268068 432343700 /nfs/dbraw/zinc/34/37/00/432343700.db2.gz JMMJSDZAHJLEFT-QVKFZJNVSA-N 2 2 310.507 3.149 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000249268068 432343703 /nfs/dbraw/zinc/34/37/03/432343703.db2.gz JMMJSDZAHJLEFT-QVKFZJNVSA-N 2 2 310.507 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000271185250 432348772 /nfs/dbraw/zinc/34/87/72/432348772.db2.gz FIWIBVZYVKAYQF-BHIYHBOVSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000271185250 432348775 /nfs/dbraw/zinc/34/87/75/432348775.db2.gz FIWIBVZYVKAYQF-BHIYHBOVSA-N 2 2 314.473 3.341 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271193883 432349686 /nfs/dbraw/zinc/34/96/86/432349686.db2.gz RLCRQKSHAGUYKF-INIZCTEOSA-N 2 2 323.444 3.349 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271193883 432349690 /nfs/dbraw/zinc/34/96/90/432349690.db2.gz RLCRQKSHAGUYKF-INIZCTEOSA-N 2 2 323.444 3.349 20 0 DGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000152737730 432353103 /nfs/dbraw/zinc/35/31/03/432353103.db2.gz ATIXUQHGDQQRBY-GFCCVEGCSA-N 2 2 318.490 3.440 20 0 DGADLP CCCC[C@@H](COC)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152111046 432304806 /nfs/dbraw/zinc/30/48/06/432304806.db2.gz JNILTRSQJJOPAB-SFHVURJKSA-N 2 2 301.434 3.226 20 0 DGADLP Cc1oncc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616108 432306704 /nfs/dbraw/zinc/30/67/04/432306704.db2.gz YZESTRLECLHSGL-HNAYVOBHSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616108 432306707 /nfs/dbraw/zinc/30/67/07/432306707.db2.gz YZESTRLECLHSGL-HNAYVOBHSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616108 432306712 /nfs/dbraw/zinc/30/67/12/432306712.db2.gz YZESTRLECLHSGL-HNAYVOBHSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248616108 432306715 /nfs/dbraw/zinc/30/67/15/432306715.db2.gz YZESTRLECLHSGL-HNAYVOBHSA-N 2 2 313.445 3.468 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838493 432308134 /nfs/dbraw/zinc/30/81/34/432308134.db2.gz AGQMIHKSXWYHBM-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000191838493 432308139 /nfs/dbraw/zinc/30/81/39/432308139.db2.gz AGQMIHKSXWYHBM-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)[nH+]1 ZINC000152166956 432310172 /nfs/dbraw/zinc/31/01/72/432310172.db2.gz LKDRMPQEJOKRQF-HNNXBMFYSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)[nH+]1 ZINC000152166956 432310177 /nfs/dbraw/zinc/31/01/77/432310177.db2.gz LKDRMPQEJOKRQF-HNNXBMFYSA-N 2 2 304.438 3.037 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccs1 ZINC000153259065 432396584 /nfs/dbraw/zinc/39/65/84/432396584.db2.gz DJAOJVUUSJZBOV-HZPDHXFCSA-N 2 2 310.507 3.393 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271472382 432402447 /nfs/dbraw/zinc/40/24/47/432402447.db2.gz HPRUMVLBQWEHAN-NQIIRXRSSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271472382 432402452 /nfs/dbraw/zinc/40/24/52/432402452.db2.gz HPRUMVLBQWEHAN-NQIIRXRSSA-N 3 2 323.484 3.433 20 0 DGADLP c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000192708106 432402988 /nfs/dbraw/zinc/40/29/88/432402988.db2.gz QYFIGCACXNMVHX-ALOPSCKCSA-N 2 2 313.470 3.428 20 0 DGADLP c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000192708106 432402991 /nfs/dbraw/zinc/40/29/91/432402991.db2.gz QYFIGCACXNMVHX-ALOPSCKCSA-N 2 2 313.470 3.428 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000250119626 432364013 /nfs/dbraw/zinc/36/40/13/432364013.db2.gz VAEDETPVHQOQIP-RDJZCZTQSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)nc2)C1 ZINC000250119626 432364018 /nfs/dbraw/zinc/36/40/18/432364018.db2.gz VAEDETPVHQOQIP-RDJZCZTQSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000250119626 432364023 /nfs/dbraw/zinc/36/40/23/432364023.db2.gz VAEDETPVHQOQIP-RDJZCZTQSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000250119626 432364026 /nfs/dbraw/zinc/36/40/26/432364026.db2.gz VAEDETPVHQOQIP-RDJZCZTQSA-N 2 2 305.441 3.307 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3csc4ccccc34)CC2)cc[nH+]1 ZINC000174674927 432364888 /nfs/dbraw/zinc/36/48/88/432364888.db2.gz FISSIOMACIPNTL-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000251228465 432368187 /nfs/dbraw/zinc/36/81/87/432368187.db2.gz AJBRPPVQPZBSQF-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000251228465 432368190 /nfs/dbraw/zinc/36/81/90/432368190.db2.gz AJBRPPVQPZBSQF-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000261547732 432429891 /nfs/dbraw/zinc/42/98/91/432429891.db2.gz MRBGDZQZOIOATN-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261554425 432430848 /nfs/dbraw/zinc/43/08/48/432430848.db2.gz AZHHZMJFRKNIFC-KWCYVHTRSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261554425 432430851 /nfs/dbraw/zinc/43/08/51/432430851.db2.gz AZHHZMJFRKNIFC-KWCYVHTRSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261571726 432431045 /nfs/dbraw/zinc/43/10/45/432431045.db2.gz LELPBTHIWURJAT-ZLDLUXBVSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261571726 432431049 /nfs/dbraw/zinc/43/10/49/432431049.db2.gz LELPBTHIWURJAT-ZLDLUXBVSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261554627 432431520 /nfs/dbraw/zinc/43/15/20/432431520.db2.gz AZHHZMJFRKNIFC-XBFCOCLRSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261554627 432431522 /nfs/dbraw/zinc/43/15/22/432431522.db2.gz AZHHZMJFRKNIFC-XBFCOCLRSA-N 2 2 309.251 3.051 20 0 DGADLP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000184788244 432433418 /nfs/dbraw/zinc/43/34/18/432433418.db2.gz BKJHZPVADDHZLN-IBGZPJMESA-N 2 2 321.424 3.107 20 0 DGADLP OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000184788244 432433420 /nfs/dbraw/zinc/43/34/20/432433420.db2.gz BKJHZPVADDHZLN-IBGZPJMESA-N 2 2 321.424 3.107 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1c1ccccc1 ZINC000261665185 432439543 /nfs/dbraw/zinc/43/95/43/432439543.db2.gz INBBTXLSJBHGAO-JKSUJKDBSA-N 2 2 324.453 3.065 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1c1ccccc1 ZINC000261665185 432439546 /nfs/dbraw/zinc/43/95/46/432439546.db2.gz INBBTXLSJBHGAO-JKSUJKDBSA-N 2 2 324.453 3.065 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261672066 432441063 /nfs/dbraw/zinc/44/10/63/432441063.db2.gz LLFRAFQYKHRPEO-GWCFXTLKSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261672066 432441065 /nfs/dbraw/zinc/44/10/65/432441065.db2.gz LLFRAFQYKHRPEO-GWCFXTLKSA-N 2 2 316.779 3.125 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261711171 432443362 /nfs/dbraw/zinc/44/33/62/432443362.db2.gz PEPITMQZPSKQIB-QGZVFWFLSA-N 2 2 301.459 3.289 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261711171 432443366 /nfs/dbraw/zinc/44/33/66/432443366.db2.gz PEPITMQZPSKQIB-QGZVFWFLSA-N 2 2 301.459 3.289 20 0 DGADLP C[C@H](C[NH2+]Cc1cnc(-c2ccco2)s1)Cn1cc[nH+]c1 ZINC000193065284 432445703 /nfs/dbraw/zinc/44/57/03/432445703.db2.gz OHILXCZQQBAVLM-GFCCVEGCSA-N 2 2 302.403 3.026 20 0 DGADLP CCC[N@H+](Cc1csc(-c2ccccn2)n1)C1CC[NH2+]CC1 ZINC000261740009 432446744 /nfs/dbraw/zinc/44/67/44/432446744.db2.gz SCGSDSCABOHZLF-UHFFFAOYSA-N 2 2 316.474 3.169 20 0 DGADLP CCC[N@@H+](Cc1csc(-c2ccccn2)n1)C1CC[NH2+]CC1 ZINC000261740009 432446748 /nfs/dbraw/zinc/44/67/48/432446748.db2.gz SCGSDSCABOHZLF-UHFFFAOYSA-N 2 2 316.474 3.169 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@@H]12 ZINC000261760363 432448050 /nfs/dbraw/zinc/44/80/50/432448050.db2.gz UWFFIRILDSKXTO-OASPWFOLSA-N 2 2 316.779 3.111 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@@H]12 ZINC000261760363 432448053 /nfs/dbraw/zinc/44/80/53/432448053.db2.gz UWFFIRILDSKXTO-OASPWFOLSA-N 2 2 316.779 3.111 20 0 DGADLP CC(C)Oc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261771319 432448063 /nfs/dbraw/zinc/44/80/63/432448063.db2.gz OSSOZRCSCPHLRP-VQTJNVASSA-N 2 2 310.441 3.401 20 0 DGADLP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261771319 432448066 /nfs/dbraw/zinc/44/80/66/432448066.db2.gz OSSOZRCSCPHLRP-VQTJNVASSA-N 2 2 310.441 3.401 20 0 DGADLP CCc1ccc([C@@H]2C[NH2+]CCN2Cc2[nH+]ccn2C(C)C)cc1 ZINC000261764229 432448460 /nfs/dbraw/zinc/44/84/60/432448460.db2.gz OFFNEQHKUDZHHF-SFHVURJKSA-N 2 2 312.461 3.173 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@H]12 ZINC000261760364 432448508 /nfs/dbraw/zinc/44/85/08/432448508.db2.gz UWFFIRILDSKXTO-TVYUQYBPSA-N 2 2 316.779 3.111 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C[C@H]12 ZINC000261760364 432448513 /nfs/dbraw/zinc/44/85/13/432448513.db2.gz UWFFIRILDSKXTO-TVYUQYBPSA-N 2 2 316.779 3.111 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261753933 432449538 /nfs/dbraw/zinc/44/95/38/432449538.db2.gz LHYWPAAEVJSTMI-CQSZACIVSA-N 2 2 303.233 3.173 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261753933 432449543 /nfs/dbraw/zinc/44/95/43/432449543.db2.gz LHYWPAAEVJSTMI-CQSZACIVSA-N 2 2 303.233 3.173 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1c1ccccc1 ZINC000261807715 432452881 /nfs/dbraw/zinc/45/28/81/432452881.db2.gz RIIBMHAXRCOJPP-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1ccccc1 ZINC000261807715 432452887 /nfs/dbraw/zinc/45/28/87/432452887.db2.gz RIIBMHAXRCOJPP-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000272171582 432456771 /nfs/dbraw/zinc/45/67/71/432456771.db2.gz DJQLXXSOVKVWHY-MAUKXSAKSA-N 2 2 310.445 3.395 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000272171587 432456794 /nfs/dbraw/zinc/45/67/94/432456794.db2.gz DJQLXXSOVKVWHY-YJBOKZPZSA-N 2 2 310.445 3.395 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863654 432457165 /nfs/dbraw/zinc/45/71/65/432457165.db2.gz GGYIAJCSBIGZQI-GXTWGEPZSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863654 432457168 /nfs/dbraw/zinc/45/71/68/432457168.db2.gz GGYIAJCSBIGZQI-GXTWGEPZSA-N 2 2 303.381 3.040 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC000184731876 432427268 /nfs/dbraw/zinc/42/72/68/432427268.db2.gz FEGUQIFRLGELOI-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1F ZINC000184731876 432427273 /nfs/dbraw/zinc/42/72/73/432427273.db2.gz FEGUQIFRLGELOI-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)c1 ZINC000262115628 432474574 /nfs/dbraw/zinc/47/45/74/432474574.db2.gz WVMZHOLULFEBGN-HNNXBMFYSA-N 2 2 305.472 3.057 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)c1 ZINC000262115628 432474576 /nfs/dbraw/zinc/47/45/76/432474576.db2.gz WVMZHOLULFEBGN-HNNXBMFYSA-N 2 2 305.472 3.057 20 0 DGADLP CC1(C)CC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC(C)(C)[NH2+]1 ZINC000175894520 432475543 /nfs/dbraw/zinc/47/55/43/432475543.db2.gz YGLAXGPQZWDATI-UHFFFAOYSA-N 2 2 320.868 3.387 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272346004 432486578 /nfs/dbraw/zinc/48/65/78/432486578.db2.gz PVAIRZLYOJEFOF-SOLBZPMBSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272346004 432486580 /nfs/dbraw/zinc/48/65/80/432486580.db2.gz PVAIRZLYOJEFOF-SOLBZPMBSA-N 2 2 310.445 3.038 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C3([NH3+])CCCC3)cc2[nH+]1 ZINC000262665110 432495475 /nfs/dbraw/zinc/49/54/75/432495475.db2.gz PGDJTSHHZKSMHT-UHFFFAOYSA-N 2 2 300.406 3.116 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272485782 432510345 /nfs/dbraw/zinc/51/03/45/432510345.db2.gz AGHUEKWSJLYQKM-UHFFFAOYSA-N 2 2 304.331 3.332 20 0 DGADLP COC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000193280035 432462941 /nfs/dbraw/zinc/46/29/41/432462941.db2.gz DVKZGBYPUZFCPG-INIZCTEOSA-N 2 2 315.804 3.465 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000193333136 432467410 /nfs/dbraw/zinc/46/74/10/432467410.db2.gz OXTCSTDIZMCEQI-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000193333136 432467416 /nfs/dbraw/zinc/46/74/16/432467416.db2.gz OXTCSTDIZMCEQI-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000262016221 432467755 /nfs/dbraw/zinc/46/77/55/432467755.db2.gz VRWCGWDJRWHXIR-SFHVURJKSA-N 2 2 310.445 3.163 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cn1 ZINC000262016221 432467758 /nfs/dbraw/zinc/46/77/58/432467758.db2.gz VRWCGWDJRWHXIR-SFHVURJKSA-N 2 2 310.445 3.163 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420728 432549732 /nfs/dbraw/zinc/54/97/32/432549732.db2.gz SUFNOGPALKKLIP-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420728 432549735 /nfs/dbraw/zinc/54/97/35/432549735.db2.gz SUFNOGPALKKLIP-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420728 432549738 /nfs/dbraw/zinc/54/97/38/432549738.db2.gz SUFNOGPALKKLIP-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194420728 432549743 /nfs/dbraw/zinc/54/97/43/432549743.db2.gz SUFNOGPALKKLIP-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(C)c1 ZINC000155493781 432557803 /nfs/dbraw/zinc/55/78/03/432557803.db2.gz OJNSKHYLXTXGDV-UHFFFAOYSA-N 2 2 323.484 3.495 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC3CCCC3)C[C@@H]2C1 ZINC000194538461 432558350 /nfs/dbraw/zinc/55/83/50/432558350.db2.gz SGFDDOBOXLRSNQ-CALCHBBNSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC3CCCC3)C[C@@H]2C1 ZINC000194538461 432558356 /nfs/dbraw/zinc/55/83/56/432558356.db2.gz SGFDDOBOXLRSNQ-CALCHBBNSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3OC3CCCC3)C[C@@H]2C1 ZINC000194538461 432558362 /nfs/dbraw/zinc/55/83/62/432558362.db2.gz SGFDDOBOXLRSNQ-CALCHBBNSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3OC3CCCC3)C[C@@H]2C1 ZINC000194538461 432558366 /nfs/dbraw/zinc/55/83/66/432558366.db2.gz SGFDDOBOXLRSNQ-CALCHBBNSA-N 2 2 300.446 3.001 20 0 DGADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162572 432560037 /nfs/dbraw/zinc/56/00/37/432560037.db2.gz ACSZYCIQTCXNDF-JSGCOSHPSA-N 2 2 317.462 3.045 20 0 DGADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162572 432560042 /nfs/dbraw/zinc/56/00/42/432560042.db2.gz ACSZYCIQTCXNDF-JSGCOSHPSA-N 2 2 317.462 3.045 20 0 DGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCC(C)CC1 ZINC000194008749 432516968 /nfs/dbraw/zinc/51/69/68/432516968.db2.gz HSWZMNRWPCTEJS-ZJPYXAASSA-N 2 2 306.494 3.044 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000154747312 432518874 /nfs/dbraw/zinc/51/88/74/432518874.db2.gz PBBKYTDBQVREHX-RDJZCZTQSA-N 2 2 305.466 3.080 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000154747312 432518878 /nfs/dbraw/zinc/51/88/78/432518878.db2.gz PBBKYTDBQVREHX-RDJZCZTQSA-N 2 2 305.466 3.080 20 0 DGADLP COc1cc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)ccc1C ZINC000194184022 432530570 /nfs/dbraw/zinc/53/05/70/432530570.db2.gz AMZAVYTUAFQDKE-UHFFFAOYSA-N 2 2 309.413 3.452 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272654304 432533426 /nfs/dbraw/zinc/53/34/26/432533426.db2.gz QJJZXMISQLFALD-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272654304 432533430 /nfs/dbraw/zinc/53/34/30/432533430.db2.gz QJJZXMISQLFALD-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272654304 432533434 /nfs/dbraw/zinc/53/34/34/432533434.db2.gz QJJZXMISQLFALD-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272654304 432533439 /nfs/dbraw/zinc/53/34/39/432533439.db2.gz QJJZXMISQLFALD-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135442 432606953 /nfs/dbraw/zinc/60/69/53/432606953.db2.gz IZNIYBAJUWAOLC-GOEBONIOSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135442 432606957 /nfs/dbraw/zinc/60/69/57/432606957.db2.gz IZNIYBAJUWAOLC-GOEBONIOSA-N 2 2 301.459 3.316 20 0 DGADLP CCS[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177283602 432607197 /nfs/dbraw/zinc/60/71/97/432607197.db2.gz YOTNQDUEOWETEP-MRXNPFEDSA-N 2 2 316.474 3.375 20 0 DGADLP CCS[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177283602 432607201 /nfs/dbraw/zinc/60/72/01/432607201.db2.gz YOTNQDUEOWETEP-MRXNPFEDSA-N 2 2 316.474 3.375 20 0 DGADLP CCO[C@H](CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000155754392 432570396 /nfs/dbraw/zinc/57/03/96/432570396.db2.gz IAZVKCJMVNCNEW-LJQANCHMSA-N 2 2 319.493 3.087 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](c4ccccc4)C3)cn2)c[nH+]1 ZINC000177082046 432583570 /nfs/dbraw/zinc/58/35/70/432583570.db2.gz OQJONQPKKAENFO-SFHVURJKSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](c4ccccc4)C3)cn2)c[nH+]1 ZINC000177082046 432583572 /nfs/dbraw/zinc/58/35/72/432583572.db2.gz OQJONQPKKAENFO-SFHVURJKSA-N 2 2 304.397 3.257 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1SC ZINC000194881037 432584810 /nfs/dbraw/zinc/58/48/10/432584810.db2.gz LIQXRJIENPHKIW-HUUCEWRRSA-N 2 2 308.491 3.170 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1SC ZINC000194881037 432584813 /nfs/dbraw/zinc/58/48/13/432584813.db2.gz LIQXRJIENPHKIW-HUUCEWRRSA-N 2 2 308.491 3.170 20 0 DGADLP Cn1c2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2[nH+]c1C1CC1 ZINC000186481877 432599148 /nfs/dbraw/zinc/59/91/48/432599148.db2.gz ZPTVGCRMIHJZIB-UHFFFAOYSA-N 2 2 320.396 3.162 20 0 DGADLP CCCc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000186909881 432636080 /nfs/dbraw/zinc/63/60/80/432636080.db2.gz GULXZORMSBRWJC-KRWDZBQOSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1cc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)cc[nH+]1 ZINC000274335533 432654318 /nfs/dbraw/zinc/65/43/18/432654318.db2.gz GVMVHNNPHSZLSG-SFHVURJKSA-N 2 2 315.392 3.015 20 0 DGADLP CCn1nc(C[NH2+]CCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000274382101 432659700 /nfs/dbraw/zinc/65/97/00/432659700.db2.gz ANAVWISBHODGCZ-UHFFFAOYSA-N 2 2 319.412 3.036 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2o1 ZINC000158987762 432664138 /nfs/dbraw/zinc/66/41/38/432664138.db2.gz BMXGAUVJELOTCD-WBVHZDCISA-N 2 2 316.445 3.176 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000274408000 432664260 /nfs/dbraw/zinc/66/42/60/432664260.db2.gz HGMNXGUFRXTKTA-QRWLVFNGSA-N 2 2 322.456 3.354 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000274422704 432665430 /nfs/dbraw/zinc/66/54/30/432665430.db2.gz QQIYGIVTTPLQKL-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000274422704 432665434 /nfs/dbraw/zinc/66/54/34/432665434.db2.gz QQIYGIVTTPLQKL-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1OCC ZINC000177837753 432666966 /nfs/dbraw/zinc/66/69/66/432666966.db2.gz XNCBJOYIUBYDTA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1OCC ZINC000177837753 432666968 /nfs/dbraw/zinc/66/69/68/432666968.db2.gz XNCBJOYIUBYDTA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1OCC ZINC000177837753 432666973 /nfs/dbraw/zinc/66/69/73/432666973.db2.gz XNCBJOYIUBYDTA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1OCC ZINC000177837753 432666974 /nfs/dbraw/zinc/66/69/74/432666974.db2.gz XNCBJOYIUBYDTA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@@H+]1C ZINC000178102119 432694974 /nfs/dbraw/zinc/69/49/74/432694974.db2.gz MWHYLSRLYDSDEV-WMLDXEAASA-N 2 2 318.461 3.214 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC[N@H+]1C ZINC000178102119 432694979 /nfs/dbraw/zinc/69/49/79/432694979.db2.gz MWHYLSRLYDSDEV-WMLDXEAASA-N 2 2 318.461 3.214 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000178120215 432697302 /nfs/dbraw/zinc/69/73/02/432697302.db2.gz KPVCNKLCTGGFDR-GJZGRUSLSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000178120215 432697305 /nfs/dbraw/zinc/69/73/05/432697305.db2.gz KPVCNKLCTGGFDR-GJZGRUSLSA-N 2 2 310.482 3.103 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+](CC)CC ZINC000265479914 432705068 /nfs/dbraw/zinc/70/50/68/432705068.db2.gz UUDAMNCLFXUQLM-OAHLLOKOSA-N 2 2 318.396 3.070 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537367 432706299 /nfs/dbraw/zinc/70/62/99/432706299.db2.gz KGZXSQPGJCNLHS-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537367 432706302 /nfs/dbraw/zinc/70/63/02/432706302.db2.gz KGZXSQPGJCNLHS-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000274814581 432711340 /nfs/dbraw/zinc/71/13/40/432711340.db2.gz WCEJWIINIXEPTP-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000274814581 432711343 /nfs/dbraw/zinc/71/13/43/432711343.db2.gz WCEJWIINIXEPTP-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@@H+]1C ZINC000178298117 432716912 /nfs/dbraw/zinc/71/69/12/432716912.db2.gz ATXFOVLUTGGONV-WBVHZDCISA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@H+]1C ZINC000178298117 432716916 /nfs/dbraw/zinc/71/69/16/432716916.db2.gz ATXFOVLUTGGONV-WBVHZDCISA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000228659923 432718804 /nfs/dbraw/zinc/71/88/04/432718804.db2.gz JAMQBQWZPRZZOO-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1Cl ZINC000228659923 432718809 /nfs/dbraw/zinc/71/88/09/432718809.db2.gz JAMQBQWZPRZZOO-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000274475884 432672886 /nfs/dbraw/zinc/67/28/86/432672886.db2.gz WQTNNWGUQNAIME-MRXNPFEDSA-N 2 2 314.477 3.266 20 0 DGADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000274475884 432672890 /nfs/dbraw/zinc/67/28/90/432672890.db2.gz WQTNNWGUQNAIME-MRXNPFEDSA-N 2 2 314.477 3.266 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000177935576 432675774 /nfs/dbraw/zinc/67/57/74/432675774.db2.gz BULRSZDIMKFQLZ-UHFFFAOYSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(Br)c1 ZINC000159281429 432678475 /nfs/dbraw/zinc/67/84/75/432678475.db2.gz FVBLGUQMBYIAPJ-UHFFFAOYSA-N 2 2 311.267 3.333 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC000274530435 432679033 /nfs/dbraw/zinc/67/90/33/432679033.db2.gz AEIKOGCVFLJEHA-DLBZAZTESA-N 2 2 316.445 3.048 20 0 DGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC000274530435 432679035 /nfs/dbraw/zinc/67/90/35/432679035.db2.gz AEIKOGCVFLJEHA-DLBZAZTESA-N 2 2 316.445 3.048 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000178064686 432691057 /nfs/dbraw/zinc/69/10/57/432691057.db2.gz NWYQKXFVKLEQQE-XJKSGUPXSA-N 2 2 318.490 3.278 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000276207438 432782089 /nfs/dbraw/zinc/78/20/89/432782089.db2.gz JUYJOERAXOLXEQ-OAHLLOKOSA-N 2 2 309.413 3.002 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847276 432753449 /nfs/dbraw/zinc/75/34/49/432753449.db2.gz KIFCZONZJCJBQV-UXHICEINSA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C2CCCC2)cc1 ZINC000275847276 432753452 /nfs/dbraw/zinc/75/34/52/432753452.db2.gz KIFCZONZJCJBQV-UXHICEINSA-N 2 2 315.505 3.062 20 0 DGADLP c1cc2c(cccc2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000236747639 432762746 /nfs/dbraw/zinc/76/27/46/432762746.db2.gz NOBOCOHZDVTJMC-UHFFFAOYSA-N 2 2 306.413 3.322 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741602 432773541 /nfs/dbraw/zinc/77/35/41/432773541.db2.gz RSPWDGXFZIDNTH-YPMHNXCESA-N 2 2 314.351 3.473 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741602 432773546 /nfs/dbraw/zinc/77/35/46/432773546.db2.gz RSPWDGXFZIDNTH-YPMHNXCESA-N 2 2 314.351 3.473 20 0 DGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000178440284 432736457 /nfs/dbraw/zinc/73/64/57/432736457.db2.gz ODGLGMKVPQEJEL-LLVKDONJSA-N 2 2 317.296 3.427 20 0 DGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000178440284 432736459 /nfs/dbraw/zinc/73/64/59/432736459.db2.gz ODGLGMKVPQEJEL-LLVKDONJSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Br)s1 ZINC000178440284 432736462 /nfs/dbraw/zinc/73/64/62/432736462.db2.gz ODGLGMKVPQEJEL-LLVKDONJSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(Br)s1 ZINC000178440284 432736465 /nfs/dbraw/zinc/73/64/65/432736465.db2.gz ODGLGMKVPQEJEL-LLVKDONJSA-N 2 2 317.296 3.427 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000237246903 432781818 /nfs/dbraw/zinc/78/18/18/432781818.db2.gz UNCWXZSRHSMWAT-QGZVFWFLSA-N 2 2 304.478 3.338 20 0 DGADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000178462792 432739736 /nfs/dbraw/zinc/73/97/36/432739736.db2.gz XLKCBKLGZDVRHF-INIZCTEOSA-N 2 2 318.465 3.188 20 0 DGADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000178462792 432739737 /nfs/dbraw/zinc/73/97/37/432739737.db2.gz XLKCBKLGZDVRHF-INIZCTEOSA-N 2 2 318.465 3.188 20 0 DGADLP CC(C)CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000275669290 432740106 /nfs/dbraw/zinc/74/01/06/432740106.db2.gz FWEYQARJNVALHA-UHFFFAOYSA-N 2 2 303.494 3.457 20 0 DGADLP CC(C)CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000275669290 432740110 /nfs/dbraw/zinc/74/01/10/432740110.db2.gz FWEYQARJNVALHA-UHFFFAOYSA-N 2 2 303.494 3.457 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Br ZINC000275773050 432746682 /nfs/dbraw/zinc/74/66/82/432746682.db2.gz ZEMCVEMNBBUMMO-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Br ZINC000275773050 432746689 /nfs/dbraw/zinc/74/66/89/432746689.db2.gz ZEMCVEMNBBUMMO-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1sccc1Br ZINC000275773050 432746693 /nfs/dbraw/zinc/74/66/93/432746693.db2.gz ZEMCVEMNBBUMMO-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1sccc1Br ZINC000275773050 432746696 /nfs/dbraw/zinc/74/66/96/432746696.db2.gz ZEMCVEMNBBUMMO-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000162244104 432817873 /nfs/dbraw/zinc/81/78/73/432817873.db2.gz SDTVZKPUZUNRRD-GOSISDBHSA-N 2 2 323.440 3.192 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000162465259 432824525 /nfs/dbraw/zinc/82/45/25/432824525.db2.gz VFNSWRRDARLTAP-MRXNPFEDSA-N 3 2 312.461 3.317 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+]CC[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000162902923 432838070 /nfs/dbraw/zinc/83/80/70/432838070.db2.gz BRSIZKHARDZPDB-QXAKKESOSA-N 2 2 313.489 3.462 20 0 DGADLP COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000189562214 432799886 /nfs/dbraw/zinc/79/98/86/432799886.db2.gz SWEXMNSOJPWRTK-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1CC12CC[NH2+]CC2 ZINC000238128252 432813711 /nfs/dbraw/zinc/81/37/11/432813711.db2.gz GFXWMJLENSVHRA-CQSZACIVSA-N 2 2 324.428 3.159 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000162146396 432815107 /nfs/dbraw/zinc/81/51/07/432815107.db2.gz CWQTXKCENVNOOM-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000245875487 432867381 /nfs/dbraw/zinc/86/73/81/432867381.db2.gz AMYNAQYMQFQGKI-UYAOXDASSA-N 2 2 310.441 3.468 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc2)cc1 ZINC000245875487 432867383 /nfs/dbraw/zinc/86/73/83/432867383.db2.gz AMYNAQYMQFQGKI-UYAOXDASSA-N 2 2 310.441 3.468 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000245900421 432867729 /nfs/dbraw/zinc/86/77/29/432867729.db2.gz NUIBNDWITWHCLR-QXCFHYIPSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000245900421 432867731 /nfs/dbraw/zinc/86/77/31/432867731.db2.gz NUIBNDWITWHCLR-QXCFHYIPSA-N 2 2 316.489 3.300 20 0 DGADLP FC(F)(F)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000277732550 432873327 /nfs/dbraw/zinc/87/33/27/432873327.db2.gz ODSITQRROMTBAL-UHFFFAOYSA-N 2 2 310.323 3.134 20 0 DGADLP C[C@@H]1C[N@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)CCCO1 ZINC000277899988 432877968 /nfs/dbraw/zinc/87/79/68/432877968.db2.gz FUZUVRVDCHGFIG-GFCCVEGCSA-N 2 2 317.355 3.013 20 0 DGADLP C[C@@H]1C[N@@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)CCCO1 ZINC000277899988 432877970 /nfs/dbraw/zinc/87/79/70/432877970.db2.gz FUZUVRVDCHGFIG-GFCCVEGCSA-N 2 2 317.355 3.013 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000296200125 432882893 /nfs/dbraw/zinc/88/28/93/432882893.db2.gz YYBAXIKBNLKZSP-CWRNSKLLSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000296200125 432882895 /nfs/dbraw/zinc/88/28/95/432882895.db2.gz YYBAXIKBNLKZSP-CWRNSKLLSA-N 2 2 305.853 3.329 20 0 DGADLP Nc1[nH+]cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c1Cl ZINC000278332875 432892363 /nfs/dbraw/zinc/89/23/63/432892363.db2.gz JJQWOVFLOWNRQU-SNVBAGLBSA-N 2 2 323.853 3.023 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@@H]([NH+](C)C)CC2)n1-c1ccccc1 ZINC000277394805 432845933 /nfs/dbraw/zinc/84/59/33/432845933.db2.gz HGNUWDXZKYPRDO-QGZVFWFLSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1-c1ccccc1 ZINC000277394805 432845937 /nfs/dbraw/zinc/84/59/37/432845937.db2.gz HGNUWDXZKYPRDO-QGZVFWFLSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1-c1ccccc1 ZINC000277394805 432845939 /nfs/dbraw/zinc/84/59/39/432845939.db2.gz HGNUWDXZKYPRDO-QGZVFWFLSA-N 2 2 312.461 3.097 20 0 DGADLP CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245575481 432846985 /nfs/dbraw/zinc/84/69/85/432846985.db2.gz ATULRLQOOSVMPE-UMVBOHGHSA-N 2 2 320.462 3.130 20 0 DGADLP CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245575481 432846988 /nfs/dbraw/zinc/84/69/88/432846988.db2.gz ATULRLQOOSVMPE-UMVBOHGHSA-N 2 2 320.462 3.130 20 0 DGADLP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120488 432847215 /nfs/dbraw/zinc/84/72/15/432847215.db2.gz NOPKZMOQUTWNCZ-QRQLOZEOSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120488 432847217 /nfs/dbraw/zinc/84/72/17/432847217.db2.gz NOPKZMOQUTWNCZ-QRQLOZEOSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120488 432847220 /nfs/dbraw/zinc/84/72/20/432847220.db2.gz NOPKZMOQUTWNCZ-QRQLOZEOSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H](c2ccccc2)O1 ZINC000268120488 432847222 /nfs/dbraw/zinc/84/72/22/432847222.db2.gz NOPKZMOQUTWNCZ-QRQLOZEOSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580126 432847720 /nfs/dbraw/zinc/84/77/20/432847720.db2.gz CDWCYHBDXNNSRA-CEXWTWQISA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580126 432847723 /nfs/dbraw/zinc/84/77/23/432847723.db2.gz CDWCYHBDXNNSRA-CEXWTWQISA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580126 432847727 /nfs/dbraw/zinc/84/77/27/432847727.db2.gz CDWCYHBDXNNSRA-CEXWTWQISA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245580126 432847729 /nfs/dbraw/zinc/84/77/29/432847729.db2.gz CDWCYHBDXNNSRA-CEXWTWQISA-N 3 2 307.526 3.057 20 0 DGADLP Cc1cnc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)s1 ZINC000277479217 432853766 /nfs/dbraw/zinc/85/37/66/432853766.db2.gz MPFKZXYFKBYEKB-UHFFFAOYSA-N 2 2 312.442 3.479 20 0 DGADLP c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000245744357 432859684 /nfs/dbraw/zinc/85/96/84/432859684.db2.gz SFIGOZOAHCLSIL-XGWQRUHWSA-N 2 2 313.470 3.428 20 0 DGADLP c1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000245744357 432859685 /nfs/dbraw/zinc/85/96/85/432859685.db2.gz SFIGOZOAHCLSIL-XGWQRUHWSA-N 2 2 313.470 3.428 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)o1 ZINC000279029267 432927907 /nfs/dbraw/zinc/92/79/07/432927907.db2.gz VXAMRZLCLIVOFH-AHIWAGSCSA-N 2 2 303.406 3.146 20 0 DGADLP Cc1[nH+]cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1-c1ccccc1 ZINC000289186221 432931203 /nfs/dbraw/zinc/93/12/03/432931203.db2.gz ANYURTLWVBGRIY-VQIMIIECSA-N 2 2 324.472 3.239 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847458 432908391 /nfs/dbraw/zinc/90/83/91/432908391.db2.gz QBTUOGKHNLSDPI-IQMDTDKHSA-N 2 2 302.796 3.437 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847458 432908393 /nfs/dbraw/zinc/90/83/93/432908393.db2.gz QBTUOGKHNLSDPI-IQMDTDKHSA-N 2 2 302.796 3.437 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000278881340 432912054 /nfs/dbraw/zinc/91/20/54/432912054.db2.gz ZNMSLJLYNJVTCS-AEFFLSMTSA-N 2 2 304.503 3.240 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H]1CCSC1)C1CC1 ZINC000278881340 432912056 /nfs/dbraw/zinc/91/20/56/432912056.db2.gz ZNMSLJLYNJVTCS-AEFFLSMTSA-N 2 2 304.503 3.240 20 0 DGADLP Fc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297354516 432993601 /nfs/dbraw/zinc/99/36/01/432993601.db2.gz FJBIVSXDCOWIGT-KRWDZBQOSA-N 2 2 304.409 3.256 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(F)cc1F ZINC000349421769 432959047 /nfs/dbraw/zinc/95/90/47/432959047.db2.gz UBEZSEULUOVOEF-UHFFFAOYSA-N 2 2 300.368 3.412 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(F)cc1F ZINC000349421769 432959052 /nfs/dbraw/zinc/95/90/52/432959052.db2.gz UBEZSEULUOVOEF-UHFFFAOYSA-N 2 2 300.368 3.412 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1cccs1)N(C)C ZINC000290393804 433044685 /nfs/dbraw/zinc/04/46/85/433044685.db2.gz OSWMJRMOOINALM-MRXNPFEDSA-N 2 2 303.475 3.277 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341253981 433005574 /nfs/dbraw/zinc/00/55/74/433005574.db2.gz DISBTAJANLVZTP-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341253981 433005580 /nfs/dbraw/zinc/00/55/80/433005580.db2.gz DISBTAJANLVZTP-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341253982 433006004 /nfs/dbraw/zinc/00/60/04/433006004.db2.gz DISBTAJANLVZTP-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341253982 433006007 /nfs/dbraw/zinc/00/60/07/433006007.db2.gz DISBTAJANLVZTP-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000290173919 433007069 /nfs/dbraw/zinc/00/70/69/433007069.db2.gz MYNGQRLMESRCFI-RHSMWYFYSA-N 2 2 318.440 3.348 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000290173919 433007072 /nfs/dbraw/zinc/00/70/72/433007072.db2.gz MYNGQRLMESRCFI-RHSMWYFYSA-N 2 2 318.440 3.348 20 0 DGADLP Cc1cnc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1C ZINC000341296628 433019652 /nfs/dbraw/zinc/01/96/52/433019652.db2.gz ZKVQMWUZQKYPKZ-GOSISDBHSA-N 2 2 323.444 3.073 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000349846550 433020344 /nfs/dbraw/zinc/02/03/44/433020344.db2.gz CKLUSZZYNPANIC-SFHVURJKSA-N 2 2 304.478 3.239 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000349846550 433020348 /nfs/dbraw/zinc/02/03/48/433020348.db2.gz CKLUSZZYNPANIC-SFHVURJKSA-N 2 2 304.478 3.239 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000297885664 433027591 /nfs/dbraw/zinc/02/75/91/433027591.db2.gz VGMWHQGTMICVLY-JMSVASOKSA-N 2 2 305.853 3.327 20 0 DGADLP CCOc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1Cl ZINC000341362181 433038081 /nfs/dbraw/zinc/03/80/81/433038081.db2.gz PFCCAWSDRDSUKB-UHFFFAOYSA-N 2 2 319.836 3.490 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)CCC2 ZINC000341407388 433049506 /nfs/dbraw/zinc/04/95/06/433049506.db2.gz QRMTVQKKBNPKDV-VSZNYVQBSA-N 2 2 317.477 3.254 20 0 DGADLP Fc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341416497 433053631 /nfs/dbraw/zinc/05/36/31/433053631.db2.gz ZUVIQHWTGZRHFT-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP Cc1cc(Br)c(C[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000419743831 433068665 /nfs/dbraw/zinc/06/86/65/433068665.db2.gz HNSNLVXMYVTKPW-VIFPVBQESA-N 2 2 305.285 3.106 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341504059 433099456 /nfs/dbraw/zinc/09/94/56/433099456.db2.gz QKJUQIHVEMLLGQ-SJORKVTESA-N 2 2 301.478 3.462 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCN(C)C[C@@H]1C ZINC000361280900 433076223 /nfs/dbraw/zinc/07/62/23/433076223.db2.gz LTGSVGJDBFDWPU-INIZCTEOSA-N 2 2 314.477 3.151 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCN(C)C[C@@H]1C ZINC000361280900 433076232 /nfs/dbraw/zinc/07/62/32/433076232.db2.gz LTGSVGJDBFDWPU-INIZCTEOSA-N 2 2 314.477 3.151 20 0 DGADLP CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341470509 433077816 /nfs/dbraw/zinc/07/78/16/433077816.db2.gz GGHNSQWQXVSJBH-INIZCTEOSA-N 2 2 302.466 3.729 20 0 DGADLP CCCC[N@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341470509 433077826 /nfs/dbraw/zinc/07/78/26/433077826.db2.gz GGHNSQWQXVSJBH-INIZCTEOSA-N 2 2 302.466 3.729 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341470513 433079214 /nfs/dbraw/zinc/07/92/14/433079214.db2.gz GGHNSQWQXVSJBH-MRXNPFEDSA-N 2 2 302.466 3.729 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341470513 433079218 /nfs/dbraw/zinc/07/92/18/433079218.db2.gz GGHNSQWQXVSJBH-MRXNPFEDSA-N 2 2 302.466 3.729 20 0 DGADLP C[NH+](C)C[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000350124561 433086662 /nfs/dbraw/zinc/08/66/62/433086662.db2.gz BDARNCNTYSQNLI-HXUWFJFHSA-N 2 2 324.468 3.081 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453116 433091449 /nfs/dbraw/zinc/09/14/49/433091449.db2.gz UPNUEKICKMJAIG-NXHRZFHOSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453116 433091455 /nfs/dbraw/zinc/09/14/55/433091455.db2.gz UPNUEKICKMJAIG-NXHRZFHOSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000361350153 433121497 /nfs/dbraw/zinc/12/14/97/433121497.db2.gz CLKVAUMEGVHJAY-UHFFFAOYSA-N 2 2 313.445 3.287 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000446896953 433122399 /nfs/dbraw/zinc/12/23/99/433122399.db2.gz SZDAEZRYJGKHKU-UHFFFAOYSA-N 2 2 301.478 3.313 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3c(C)cccn13)CCO2 ZINC000341549888 433127675 /nfs/dbraw/zinc/12/76/75/433127675.db2.gz XFTLUYYGBAZKGW-KRWDZBQOSA-N 2 2 323.396 3.265 20 0 DGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420261136 433136776 /nfs/dbraw/zinc/13/67/76/433136776.db2.gz OXAURNDILOECBH-QWHCGFSZSA-N 2 2 321.346 3.299 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420253505 433137199 /nfs/dbraw/zinc/13/71/99/433137199.db2.gz BCFFHIHFSDGNIY-UONOGXRCSA-N 2 2 316.493 3.260 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295073 433148471 /nfs/dbraw/zinc/14/84/71/433148471.db2.gz URTYYOZCHMDDEH-KGLIPLIRSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295073 433148479 /nfs/dbraw/zinc/14/84/79/433148479.db2.gz URTYYOZCHMDDEH-KGLIPLIRSA-N 2 2 318.852 3.085 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000453395663 433153432 /nfs/dbraw/zinc/15/34/32/433153432.db2.gz HCIJOGVKSXSRTG-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000453395663 433153439 /nfs/dbraw/zinc/15/34/39/433153439.db2.gz HCIJOGVKSXSRTG-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000420319283 433158712 /nfs/dbraw/zinc/15/87/12/433158712.db2.gz RNZJIVXSCIMFGX-ZBFHGGJFSA-N 2 2 308.853 3.311 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000420319283 433158720 /nfs/dbraw/zinc/15/87/20/433158720.db2.gz RNZJIVXSCIMFGX-ZBFHGGJFSA-N 2 2 308.853 3.311 20 0 DGADLP [NH3+]CCC[N@H+](Cc1nc(C2CC2)cs1)Cc1ccccc1 ZINC000420315927 433160972 /nfs/dbraw/zinc/16/09/72/433160972.db2.gz SGQPYFPUFOYSKJ-UHFFFAOYSA-N 2 2 301.459 3.372 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1nc(C2CC2)cs1)Cc1ccccc1 ZINC000420315927 433160980 /nfs/dbraw/zinc/16/09/80/433160980.db2.gz SGQPYFPUFOYSKJ-UHFFFAOYSA-N 2 2 301.459 3.372 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324872 433167547 /nfs/dbraw/zinc/16/75/47/433167547.db2.gz VNHNWYWGHCFEIS-GHMZBOCLSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324872 433167552 /nfs/dbraw/zinc/16/75/52/433167552.db2.gz VNHNWYWGHCFEIS-GHMZBOCLSA-N 2 2 323.412 3.257 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@@H]1C ZINC000447177294 433168367 /nfs/dbraw/zinc/16/83/67/433168367.db2.gz NCEXOHJCIIIENU-DZGCQCFKSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@@H]1C ZINC000447177294 433168374 /nfs/dbraw/zinc/16/83/74/433168374.db2.gz NCEXOHJCIIIENU-DZGCQCFKSA-N 2 2 304.438 3.035 20 0 DGADLP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453419506 433171221 /nfs/dbraw/zinc/17/12/21/433171221.db2.gz JOCSDPLSJUQGSP-INIZCTEOSA-N 3 2 312.461 3.397 20 0 DGADLP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453419506 433171229 /nfs/dbraw/zinc/17/12/29/433171229.db2.gz JOCSDPLSJUQGSP-INIZCTEOSA-N 3 2 312.461 3.397 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000336659903 433171513 /nfs/dbraw/zinc/17/15/13/433171513.db2.gz QLNGMUCBRFKJGC-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000336659903 433171519 /nfs/dbraw/zinc/17/15/19/433171519.db2.gz QLNGMUCBRFKJGC-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)[C@@H](C[NH3+])C1 ZINC000420338002 433173036 /nfs/dbraw/zinc/17/30/36/433173036.db2.gz NHYRABJXNUDTJN-NVXWUHKLSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@@H](C[NH3+])C1 ZINC000420338002 433173041 /nfs/dbraw/zinc/17/30/41/433173041.db2.gz NHYRABJXNUDTJN-NVXWUHKLSA-N 2 2 311.429 3.433 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654567 433173148 /nfs/dbraw/zinc/17/31/48/433173148.db2.gz BVZSNDFQXOWZCS-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654567 433173155 /nfs/dbraw/zinc/17/31/55/433173155.db2.gz BVZSNDFQXOWZCS-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1nc2ccccc2n1C(F)F ZINC000420356581 433176327 /nfs/dbraw/zinc/17/63/27/433176327.db2.gz CTYQMRHCQTVNNF-JUFZMCDQSA-N 2 2 322.403 3.469 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs1 ZINC000420357387 433176419 /nfs/dbraw/zinc/17/64/19/433176419.db2.gz HPDFOAUCBWCBSV-HNNXBMFYSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000420361578 433176566 /nfs/dbraw/zinc/17/65/66/433176566.db2.gz HZUJBHZQZGBIBW-GPCCPHFNSA-N 2 2 315.230 3.064 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3c2OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336705993 433178536 /nfs/dbraw/zinc/17/85/36/433178536.db2.gz MTKMWIDKBVPLQC-MAUKXSAKSA-N 2 2 324.424 3.168 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000336705993 433178541 /nfs/dbraw/zinc/17/85/41/433178541.db2.gz MTKMWIDKBVPLQC-MAUKXSAKSA-N 2 2 324.424 3.168 20 0 DGADLP Cc1cc(F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000425340955 433178840 /nfs/dbraw/zinc/17/88/40/433178840.db2.gz WMZBFOBKONZHAJ-AWEZNQCLSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1cc(F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000425340955 433178847 /nfs/dbraw/zinc/17/88/47/433178847.db2.gz WMZBFOBKONZHAJ-AWEZNQCLSA-N 2 2 304.340 3.322 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1c1ccccc1 ZINC000425340316 433178941 /nfs/dbraw/zinc/17/89/41/433178941.db2.gz VKVPTBNNSLAKIH-QAPCUYQASA-N 2 2 312.461 3.112 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1c1ccccc1 ZINC000425340316 433178946 /nfs/dbraw/zinc/17/89/46/433178946.db2.gz VKVPTBNNSLAKIH-QAPCUYQASA-N 2 2 312.461 3.112 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)n1C ZINC000425339524 433179782 /nfs/dbraw/zinc/17/97/82/433179782.db2.gz SPSJUZALULXNBJ-LJQANCHMSA-N 2 2 312.461 3.040 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)n1C ZINC000425339524 433179790 /nfs/dbraw/zinc/17/97/90/433179790.db2.gz SPSJUZALULXNBJ-LJQANCHMSA-N 2 2 312.461 3.040 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1C ZINC000420371343 433179759 /nfs/dbraw/zinc/17/97/59/433179759.db2.gz PIKIWAQKQAVKFL-PRIMNGNOSA-N 2 2 302.462 3.291 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000420369419 433182486 /nfs/dbraw/zinc/18/24/86/433182486.db2.gz IYEUJDYJVDKKSX-LBPRGKRZSA-N 2 2 302.422 3.238 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000420365075 433182933 /nfs/dbraw/zinc/18/29/33/433182933.db2.gz KSBNKJPJPYKRRQ-RULNRJAQSA-N 2 2 315.230 3.064 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453436729 433183477 /nfs/dbraw/zinc/18/34/77/433183477.db2.gz UXABKZFLXVHMJU-UHFFFAOYSA-N 2 2 314.342 3.428 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717712 433183466 /nfs/dbraw/zinc/18/34/66/433183466.db2.gz QMXPFZYSYRDRID-OKZBNKHCSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717712 433183478 /nfs/dbraw/zinc/18/34/78/433183478.db2.gz QMXPFZYSYRDRID-OKZBNKHCSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)CCO2 ZINC000354625500 433183969 /nfs/dbraw/zinc/18/39/69/433183969.db2.gz GINIDUZDFPTEIP-SFHVURJKSA-N 2 2 312.413 3.445 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420375723 433185909 /nfs/dbraw/zinc/18/59/09/433185909.db2.gz UEZJXOWGKFYRKT-MRXNPFEDSA-N 2 2 318.440 3.193 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420371414 433186057 /nfs/dbraw/zinc/18/60/57/433186057.db2.gz PKOYHZZSBNLYAB-HDMKZQKVSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Cc1ccc([C@@H]([NH2+]Cc2noc(C[NH3+])n2)C(C)C)cc1 ZINC000420371631 433186381 /nfs/dbraw/zinc/18/63/81/433186381.db2.gz KQQWICCCQSJANF-SFHVURJKSA-N 2 2 316.449 3.214 20 0 DGADLP CCCCc1ccc([C@H]([NH2+]Cc2noc(C[NH3+])n2)C(C)C)cc1 ZINC000420374688 433186493 /nfs/dbraw/zinc/18/64/93/433186493.db2.gz OJNJESMRIVJDDL-GOSISDBHSA-N 2 2 316.449 3.358 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420372630 433188876 /nfs/dbraw/zinc/18/88/76/433188876.db2.gz QHNFBWWKLUBYCH-BFVZDQMLSA-N 2 2 315.230 3.064 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420388438 433191709 /nfs/dbraw/zinc/19/17/09/433191709.db2.gz GXLQCQSNVJHRBU-YCPHGPKFSA-N 2 2 323.506 3.205 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420388438 433191716 /nfs/dbraw/zinc/19/17/16/433191716.db2.gz GXLQCQSNVJHRBU-YCPHGPKFSA-N 2 2 323.506 3.205 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)n1 ZINC000420382908 433191984 /nfs/dbraw/zinc/19/19/84/433191984.db2.gz ZBXJHXLLVKZFEP-AWEZNQCLSA-N 2 2 302.422 3.140 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c[nH+]1 ZINC000354635425 433194441 /nfs/dbraw/zinc/19/44/41/433194441.db2.gz QWZRNQXDKHDMFG-XMSQKQJNSA-N 2 2 316.470 3.032 20 0 DGADLP CCCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420407847 433196613 /nfs/dbraw/zinc/19/66/13/433196613.db2.gz VOECQKQTXKCOND-GOEBONIOSA-N 2 2 307.507 3.450 20 0 DGADLP CCCCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420407847 433196619 /nfs/dbraw/zinc/19/66/19/433196619.db2.gz VOECQKQTXKCOND-GOEBONIOSA-N 2 2 307.507 3.450 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290876874 433197325 /nfs/dbraw/zinc/19/73/25/433197325.db2.gz KNYXNXZVUAPPFW-QZTJIDSGSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290876874 433197337 /nfs/dbraw/zinc/19/73/37/433197337.db2.gz KNYXNXZVUAPPFW-QZTJIDSGSA-N 2 2 300.446 3.356 20 0 DGADLP c1ccc2sc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)nc2c1 ZINC000420399801 433198726 /nfs/dbraw/zinc/19/87/26/433198726.db2.gz OJJPBXPXIPSXMP-UKRRQHHQSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2sc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)nc2c1 ZINC000420399801 433198734 /nfs/dbraw/zinc/19/87/34/433198734.db2.gz OJJPBXPXIPSXMP-UKRRQHHQSA-N 2 2 301.459 3.260 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)o1 ZINC000420414174 433201359 /nfs/dbraw/zinc/20/13/59/433201359.db2.gz UKQCCLFLWGGLCL-YPMHNXCESA-N 2 2 305.447 3.128 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)o1 ZINC000420414174 433201363 /nfs/dbraw/zinc/20/13/63/433201363.db2.gz UKQCCLFLWGGLCL-YPMHNXCESA-N 2 2 305.447 3.128 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000420420634 433202856 /nfs/dbraw/zinc/20/28/56/433202856.db2.gz YBKNDTRBLDCYNC-YPMHNXCESA-N 2 2 321.371 3.037 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C[NH3+] ZINC000420420634 433202864 /nfs/dbraw/zinc/20/28/64/433202864.db2.gz YBKNDTRBLDCYNC-YPMHNXCESA-N 2 2 321.371 3.037 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361492126 433206448 /nfs/dbraw/zinc/20/64/48/433206448.db2.gz DOFANQRUOPODJW-LJQANCHMSA-N 2 2 321.424 3.220 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000425390968 433222960 /nfs/dbraw/zinc/22/29/60/433222960.db2.gz ZGLSQHBTGLMJMR-QGZVFWFLSA-N 2 2 310.445 3.449 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000425390968 433222970 /nfs/dbraw/zinc/22/29/70/433222970.db2.gz ZGLSQHBTGLMJMR-QGZVFWFLSA-N 2 2 310.445 3.449 20 0 DGADLP C[C@H](CC[N@H+](C)CCCn1cc[nH+]c1)OCc1ccccc1 ZINC000354727066 433237224 /nfs/dbraw/zinc/23/72/24/433237224.db2.gz GTFSTFMZJUUTJR-QGZVFWFLSA-N 2 2 301.434 3.200 20 0 DGADLP C[C@H](CC[N@@H+](C)CCCn1cc[nH+]c1)OCc1ccccc1 ZINC000354727066 433237231 /nfs/dbraw/zinc/23/72/31/433237231.db2.gz GTFSTFMZJUUTJR-QGZVFWFLSA-N 2 2 301.434 3.200 20 0 DGADLP CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000453615653 433240146 /nfs/dbraw/zinc/24/01/46/433240146.db2.gz FLMMDLWECKFMTQ-UHFFFAOYSA-N 2 2 323.444 3.264 20 0 DGADLP CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000453615653 433240158 /nfs/dbraw/zinc/24/01/58/433240158.db2.gz FLMMDLWECKFMTQ-UHFFFAOYSA-N 2 2 323.444 3.264 20 0 DGADLP C[C@@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000291470959 433246211 /nfs/dbraw/zinc/24/62/11/433246211.db2.gz DTKSFHCKNVKGBE-LBPRGKRZSA-N 2 2 320.234 3.265 20 0 DGADLP C[C@@H](C[N@H+]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000291470959 433246217 /nfs/dbraw/zinc/24/62/17/433246217.db2.gz DTKSFHCKNVKGBE-LBPRGKRZSA-N 2 2 320.234 3.265 20 0 DGADLP C[C@@H]([N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C1(C)CC1 ZINC000420915280 433313759 /nfs/dbraw/zinc/31/37/59/433313759.db2.gz LGUMVJZTWIZQML-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]([N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)C1(C)CC1 ZINC000420915280 433313765 /nfs/dbraw/zinc/31/37/65/433313765.db2.gz LGUMVJZTWIZQML-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP c1ccc([C@H]2CC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420916291 433314203 /nfs/dbraw/zinc/31/42/03/433314203.db2.gz OFUXFYHFEBMPJS-OAQYLSRUSA-N 2 2 322.452 3.466 20 0 DGADLP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000291693904 433318539 /nfs/dbraw/zinc/31/85/39/433318539.db2.gz AAXGWMXOUMSROT-CQSZACIVSA-N 2 2 311.385 3.345 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281601137 433319223 /nfs/dbraw/zinc/31/92/23/433319223.db2.gz MEMQKHCMVLVMCC-YOEHRIQHSA-N 2 2 301.438 3.052 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281601137 433319234 /nfs/dbraw/zinc/31/92/34/433319234.db2.gz MEMQKHCMVLVMCC-YOEHRIQHSA-N 2 2 301.438 3.052 20 0 DGADLP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931748 433325183 /nfs/dbraw/zinc/32/51/83/433325183.db2.gz GYCDUEYAQZZKJK-APWZRJJASA-N 2 2 302.462 3.282 20 0 DGADLP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931748 433325191 /nfs/dbraw/zinc/32/51/91/433325191.db2.gz GYCDUEYAQZZKJK-APWZRJJASA-N 2 2 302.462 3.282 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](C)C[C@H]3C)c2cc1C ZINC000425522095 433279224 /nfs/dbraw/zinc/27/92/24/433279224.db2.gz LXKWNQGYVHVWKA-XYPHTWIQSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](C)C[C@H]3C)c2cc1C ZINC000425522095 433279232 /nfs/dbraw/zinc/27/92/32/433279232.db2.gz LXKWNQGYVHVWKA-XYPHTWIQSA-N 2 2 315.461 3.134 20 0 DGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C1CC1)C1CC1 ZINC000420899857 433299088 /nfs/dbraw/zinc/29/90/88/433299088.db2.gz GRQSCAHDFWTYDV-UHFFFAOYSA-N 2 2 314.473 3.139 20 0 DGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C1CC1)C1CC1 ZINC000420899857 433299095 /nfs/dbraw/zinc/29/90/95/433299095.db2.gz GRQSCAHDFWTYDV-UHFFFAOYSA-N 2 2 314.473 3.139 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822011 433299158 /nfs/dbraw/zinc/29/91/58/433299158.db2.gz KONDIVXLAXKWAX-NVXWUHKLSA-N 2 2 310.445 3.595 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C)[nH+]1 ZINC000341822011 433299172 /nfs/dbraw/zinc/29/91/72/433299172.db2.gz KONDIVXLAXKWAX-NVXWUHKLSA-N 2 2 310.445 3.595 20 0 DGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830417 433302036 /nfs/dbraw/zinc/30/20/36/433302036.db2.gz GCZUHXIMQHNHLG-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830417 433302041 /nfs/dbraw/zinc/30/20/41/433302041.db2.gz GCZUHXIMQHNHLG-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830417 433302052 /nfs/dbraw/zinc/30/20/52/433302052.db2.gz GCZUHXIMQHNHLG-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830417 433302063 /nfs/dbraw/zinc/30/20/63/433302063.db2.gz GCZUHXIMQHNHLG-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CCc1nc(C)c(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000291667854 433304642 /nfs/dbraw/zinc/30/46/42/433304642.db2.gz FYSGMVYMYNRXBS-UHFFFAOYSA-N 2 2 310.401 3.329 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566458 433306877 /nfs/dbraw/zinc/30/68/77/433306877.db2.gz IUJFNUVCKSMKSX-AEFFLSMTSA-N 2 2 313.445 3.062 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566458 433306883 /nfs/dbraw/zinc/30/68/83/433306883.db2.gz IUJFNUVCKSMKSX-AEFFLSMTSA-N 2 2 313.445 3.062 20 0 DGADLP CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835625 433306952 /nfs/dbraw/zinc/30/69/52/433306952.db2.gz VNTFGIMYVXZJJR-UXHICEINSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835625 433306961 /nfs/dbraw/zinc/30/69/61/433306961.db2.gz VNTFGIMYVXZJJR-UXHICEINSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835625 433306968 /nfs/dbraw/zinc/30/69/68/433306968.db2.gz VNTFGIMYVXZJJR-UXHICEINSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835625 433306979 /nfs/dbraw/zinc/30/69/79/433306979.db2.gz VNTFGIMYVXZJJR-UXHICEINSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837938 433307574 /nfs/dbraw/zinc/30/75/74/433307574.db2.gz XWHUKNFUAKNHOA-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837938 433307581 /nfs/dbraw/zinc/30/75/81/433307581.db2.gz XWHUKNFUAKNHOA-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837938 433307590 /nfs/dbraw/zinc/30/75/90/433307590.db2.gz XWHUKNFUAKNHOA-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837938 433307597 /nfs/dbraw/zinc/30/75/97/433307597.db2.gz XWHUKNFUAKNHOA-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917753 433311380 /nfs/dbraw/zinc/31/13/80/433311380.db2.gz TYYXMAYPMHRMDH-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1C[C@H](C)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917753 433311387 /nfs/dbraw/zinc/31/13/87/433311387.db2.gz TYYXMAYPMHRMDH-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP c1ccc2c(c1)C[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420914841 433312256 /nfs/dbraw/zinc/31/22/56/433312256.db2.gz KLOAQIZRQYWQGI-UHFFFAOYSA-N 2 2 308.425 3.035 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1OCCc2sccc21 ZINC000291772579 433345460 /nfs/dbraw/zinc/34/54/60/433345460.db2.gz TUPPZBLANVUTNV-PXAZEXFGSA-N 2 2 313.426 3.188 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc(C[NH+]2CCOCC2)c1 ZINC000420960819 433349082 /nfs/dbraw/zinc/34/90/82/433349082.db2.gz HMXJHRRTRYQDGR-BGYRXZFFSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc(C[NH+]2CCOCC2)c1 ZINC000420960819 433349088 /nfs/dbraw/zinc/34/90/88/433349088.db2.gz HMXJHRRTRYQDGR-BGYRXZFFSA-N 2 2 314.473 3.141 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000425917476 433373050 /nfs/dbraw/zinc/37/30/50/433373050.db2.gz MDWWNYCTPFZWQL-OAHLLOKOSA-N 2 2 304.434 3.360 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000425917476 433373057 /nfs/dbraw/zinc/37/30/57/433373057.db2.gz MDWWNYCTPFZWQL-OAHLLOKOSA-N 2 2 304.434 3.360 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000414073610 433376625 /nfs/dbraw/zinc/37/66/25/433376625.db2.gz WBNSFQMUPBTCOA-JKSUJKDBSA-N 2 2 319.493 3.334 20 0 DGADLP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cccc(C)[nH+]2)cc1 ZINC000354874302 433332023 /nfs/dbraw/zinc/33/20/23/433332023.db2.gz DKSNVLDSPYOPRG-SFHVURJKSA-N 2 2 311.429 3.184 20 0 DGADLP CC[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883263 433335676 /nfs/dbraw/zinc/33/56/76/433335676.db2.gz NTTMMIRQLLUNRV-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341883263 433335682 /nfs/dbraw/zinc/33/56/82/433335682.db2.gz NTTMMIRQLLUNRV-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883263 433335686 /nfs/dbraw/zinc/33/56/86/433335686.db2.gz NTTMMIRQLLUNRV-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341883263 433335692 /nfs/dbraw/zinc/33/56/92/433335692.db2.gz NTTMMIRQLLUNRV-IEBWSBKVSA-N 2 2 302.462 3.009 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000339065980 433337647 /nfs/dbraw/zinc/33/76/47/433337647.db2.gz DATQESGBGCWBQO-UFYCRDLUSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000339065980 433337657 /nfs/dbraw/zinc/33/76/57/433337657.db2.gz DATQESGBGCWBQO-UFYCRDLUSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000339065978 433337711 /nfs/dbraw/zinc/33/77/11/433337711.db2.gz DATQESGBGCWBQO-AABGKKOBSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000339065978 433337721 /nfs/dbraw/zinc/33/77/21/433337721.db2.gz DATQESGBGCWBQO-AABGKKOBSA-N 2 2 307.441 3.387 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069882 433343530 /nfs/dbraw/zinc/34/35/30/433343530.db2.gz YGAZKHASCADOIB-QRQLOZEOSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069882 433343542 /nfs/dbraw/zinc/34/35/42/433343542.db2.gz YGAZKHASCADOIB-QRQLOZEOSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000351227597 433425882 /nfs/dbraw/zinc/42/58/82/433425882.db2.gz GGAWLBBHQASKGT-MBNYWOFBSA-N 2 2 300.406 3.298 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000351227597 433425898 /nfs/dbraw/zinc/42/58/98/433425898.db2.gz GGAWLBBHQASKGT-MBNYWOFBSA-N 2 2 300.406 3.298 20 0 DGADLP CCCCOc1ccccc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000361757719 433378673 /nfs/dbraw/zinc/37/86/73/433378673.db2.gz SQUCKCOBBXYPDF-QGZVFWFLSA-N 2 2 320.477 3.066 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3OCc3ccccc3)C[C@@H]2C1 ZINC000425959622 433385045 /nfs/dbraw/zinc/38/50/45/433385045.db2.gz SVNUJVFTHVZAMQ-BGYRXZFFSA-N 2 2 322.452 3.259 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3OCc3ccccc3)C[C@@H]2C1 ZINC000425959622 433385057 /nfs/dbraw/zinc/38/50/57/433385057.db2.gz SVNUJVFTHVZAMQ-BGYRXZFFSA-N 2 2 322.452 3.259 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccc3)C[C@@H]2C1 ZINC000425959622 433385068 /nfs/dbraw/zinc/38/50/68/433385068.db2.gz SVNUJVFTHVZAMQ-BGYRXZFFSA-N 2 2 322.452 3.259 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3OCc3ccccc3)C[C@@H]2C1 ZINC000425959622 433385077 /nfs/dbraw/zinc/38/50/77/433385077.db2.gz SVNUJVFTHVZAMQ-BGYRXZFFSA-N 2 2 322.452 3.259 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C3CC(C)(C)C3)c2cc1C ZINC000448557426 433421332 /nfs/dbraw/zinc/42/13/32/433421332.db2.gz UKPLPSPXRXNRNU-INIZCTEOSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C3CC(C)(C)C3)c2cc1C ZINC000448557426 433421343 /nfs/dbraw/zinc/42/13/43/433421343.db2.gz UKPLPSPXRXNRNU-INIZCTEOSA-N 2 2 315.461 3.134 20 0 DGADLP C(=C/c1ccncc1)\C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167759 433434971 /nfs/dbraw/zinc/43/49/71/433434971.db2.gz MYPZQBQVZVMLTC-IDOMTICXSA-N 2 2 308.429 3.117 20 0 DGADLP C(=C/c1ccncc1)\C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167759 433434980 /nfs/dbraw/zinc/43/49/80/433434980.db2.gz MYPZQBQVZVMLTC-IDOMTICXSA-N 2 2 308.429 3.117 20 0 DGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877429 433435239 /nfs/dbraw/zinc/43/52/39/433435239.db2.gz MZHKALANUBCBIT-MAUKXSAKSA-N 2 2 316.470 3.036 20 0 DGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877429 433435248 /nfs/dbraw/zinc/43/52/48/433435248.db2.gz MZHKALANUBCBIT-MAUKXSAKSA-N 2 2 316.470 3.036 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000414181456 433443816 /nfs/dbraw/zinc/44/38/16/433443816.db2.gz MHUIKWPRLWBTEK-OGWHTMIXSA-N 2 2 301.478 3.316 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000414181456 433443824 /nfs/dbraw/zinc/44/38/24/433443824.db2.gz MHUIKWPRLWBTEK-OGWHTMIXSA-N 2 2 301.478 3.316 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@@H](OC(C)C)C3(C)C)c[nH+]c12 ZINC000361916774 433450920 /nfs/dbraw/zinc/45/09/20/433450920.db2.gz OJOSFBZJYNGDSJ-HZPDHXFCSA-N 2 2 301.434 3.324 20 0 DGADLP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]3C3CC3)CC2)ccn1 ZINC000414195676 433454202 /nfs/dbraw/zinc/45/42/02/433454202.db2.gz OFHSYNCCYQTWAQ-UYAOXDASSA-N 2 2 313.489 3.462 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000361943027 433460592 /nfs/dbraw/zinc/46/05/92/433460592.db2.gz JHEUDPWLPFTTSE-ZDUSSCGKSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000361943027 433460602 /nfs/dbraw/zinc/46/06/02/433460602.db2.gz JHEUDPWLPFTTSE-ZDUSSCGKSA-N 2 2 320.234 3.172 20 0 DGADLP COc1cc(C[N@H+](C)CCC[NH+]2CCCCC2)cc(OC)c1 ZINC000351302358 433464757 /nfs/dbraw/zinc/46/47/57/433464757.db2.gz KLUJZKNOOWZLCL-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc(OC)c1 ZINC000351302358 433464768 /nfs/dbraw/zinc/46/47/68/433464768.db2.gz KLUJZKNOOWZLCL-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237984 433477726 /nfs/dbraw/zinc/47/77/26/433477726.db2.gz LWUNVMYVPHMONX-LPWQTFTOSA-N 2 2 316.489 3.443 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237984 433477737 /nfs/dbraw/zinc/47/77/37/433477737.db2.gz LWUNVMYVPHMONX-LPWQTFTOSA-N 2 2 316.489 3.443 20 0 DGADLP C[NH+](C)[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000301268110 433481410 /nfs/dbraw/zinc/48/14/10/433481410.db2.gz FZVFYIQAFQKFGV-MRXNPFEDSA-N 2 2 311.433 3.013 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000282066507 433484408 /nfs/dbraw/zinc/48/44/08/433484408.db2.gz WKWISERJDWYWPI-QZTJIDSGSA-N 2 2 308.441 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000282066507 433484414 /nfs/dbraw/zinc/48/44/14/433484414.db2.gz WKWISERJDWYWPI-QZTJIDSGSA-N 2 2 308.441 3.367 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171588 433517622 /nfs/dbraw/zinc/51/76/22/433517622.db2.gz QWMVVBZVBOXHFC-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000342171588 433517625 /nfs/dbraw/zinc/51/76/25/433517625.db2.gz QWMVVBZVBOXHFC-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171588 433517634 /nfs/dbraw/zinc/51/76/34/433517634.db2.gz QWMVVBZVBOXHFC-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[C@@H]([NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000342171588 433517640 /nfs/dbraw/zinc/51/76/40/433517640.db2.gz QWMVVBZVBOXHFC-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472627 433517623 /nfs/dbraw/zinc/51/76/23/433517623.db2.gz BFEPHHIEVVXKRU-OAQYLSRUSA-N 2 2 324.468 3.259 20 0 DGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472627 433517630 /nfs/dbraw/zinc/51/76/30/433517630.db2.gz BFEPHHIEVVXKRU-OAQYLSRUSA-N 2 2 324.468 3.259 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472627 433517638 /nfs/dbraw/zinc/51/76/38/433517638.db2.gz BFEPHHIEVVXKRU-OAQYLSRUSA-N 2 2 324.468 3.259 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)C1CC1 ZINC000351472627 433517645 /nfs/dbraw/zinc/51/76/45/433517645.db2.gz BFEPHHIEVVXKRU-OAQYLSRUSA-N 2 2 324.468 3.259 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414299015 433524171 /nfs/dbraw/zinc/52/41/71/433524171.db2.gz HUAKZGRIZCTNNY-OAHLLOKOSA-N 2 2 314.477 3.332 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]12 ZINC000351487901 433528150 /nfs/dbraw/zinc/52/81/50/433528150.db2.gz DGWIVRJLLQAPDV-FVQBIDKESA-N 2 2 305.491 3.360 20 0 DGADLP C[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)C[NH+]1CCOCC1 ZINC000301382992 433529389 /nfs/dbraw/zinc/52/93/89/433529389.db2.gz TZSPQHRKBQOGKP-CYBMUJFWSA-N 2 2 319.836 3.268 20 0 DGADLP CCc1ncc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000414315982 433538522 /nfs/dbraw/zinc/53/85/22/433538522.db2.gz HDSYYUCMVDWTEJ-LJQANCHMSA-N 2 2 324.472 3.274 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1O ZINC000426417881 433489527 /nfs/dbraw/zinc/48/95/27/433489527.db2.gz UQESWZLQUVUGIK-INIZCTEOSA-N 2 2 320.477 3.188 20 0 DGADLP O=C(CC[C@H]1CCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000292206820 433508547 /nfs/dbraw/zinc/50/85/47/433508547.db2.gz YONYQEXZGYHUMW-CQSZACIVSA-N 2 2 311.385 3.345 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000339384770 433548836 /nfs/dbraw/zinc/54/88/36/433548836.db2.gz KHOMMIGNZJCMNO-CDVVCGDMSA-N 2 2 323.400 3.472 20 0 DGADLP C[C@H](C1CC1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742143 433550509 /nfs/dbraw/zinc/55/05/09/433550509.db2.gz HPZUVKKDSNZUQK-VQIMIIECSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](C1CC1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742143 433550519 /nfs/dbraw/zinc/55/05/19/433550519.db2.gz HPZUVKKDSNZUQK-VQIMIIECSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](C1CC1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375742143 433550528 /nfs/dbraw/zinc/55/05/28/433550528.db2.gz HPZUVKKDSNZUQK-VQIMIIECSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](C1CC1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375742143 433550537 /nfs/dbraw/zinc/55/05/37/433550537.db2.gz HPZUVKKDSNZUQK-VQIMIIECSA-N 2 2 302.462 3.008 20 0 DGADLP Cc1nc(N2CCC[N@H+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301436992 433553860 /nfs/dbraw/zinc/55/38/60/433553860.db2.gz KFOWOGPSZYBUJA-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP Cc1nc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301436992 433553870 /nfs/dbraw/zinc/55/38/70/433553870.db2.gz KFOWOGPSZYBUJA-UHFFFAOYSA-N 2 2 310.445 3.114 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289557 433555331 /nfs/dbraw/zinc/55/53/31/433555331.db2.gz BWNKXHDHHGQEOE-VQIMIIECSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnccn1 ZINC000282289557 433555339 /nfs/dbraw/zinc/55/53/39/433555339.db2.gz BWNKXHDHHGQEOE-VQIMIIECSA-N 2 2 324.472 3.428 20 0 DGADLP Cc1nc(NCCc2[nH+]ccn2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301438331 433557403 /nfs/dbraw/zinc/55/74/03/433557403.db2.gz LCASEFBWUOAIPN-UHFFFAOYSA-N 2 2 321.428 3.301 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000339392209 433560276 /nfs/dbraw/zinc/56/02/76/433560276.db2.gz MFKUOPOODBRHPG-OAHLLOKOSA-N 2 2 311.389 3.027 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCc1cc[nH+]cc1C ZINC000414360435 433568553 /nfs/dbraw/zinc/56/85/53/433568553.db2.gz AHTMOVGKWDVDRH-UHFFFAOYSA-N 2 2 324.403 3.356 20 0 DGADLP c1ccc(C[C@H]2C[C@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000414357707 433570027 /nfs/dbraw/zinc/57/00/27/433570027.db2.gz JZKAPSCLEUXFTJ-GHTZIAJQSA-N 2 2 321.468 3.267 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437532 433588442 /nfs/dbraw/zinc/58/84/42/433588442.db2.gz LTVICDBQHWJFAZ-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437532 433588455 /nfs/dbraw/zinc/58/84/55/433588455.db2.gz LTVICDBQHWJFAZ-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437532 433588465 /nfs/dbraw/zinc/58/84/65/433588465.db2.gz LTVICDBQHWJFAZ-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(OC(C)(C)C)n3)C2)C1 ZINC000339437532 433588477 /nfs/dbraw/zinc/58/84/77/433588477.db2.gz LTVICDBQHWJFAZ-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339445737 433589600 /nfs/dbraw/zinc/58/96/00/433589600.db2.gz ZNUXZBPGURFYNI-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000339445737 433589606 /nfs/dbraw/zinc/58/96/06/433589606.db2.gz ZNUXZBPGURFYNI-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP Clc1cccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000362298533 433628943 /nfs/dbraw/zinc/62/89/43/433628943.db2.gz KSODUNZNPUNNDZ-QGZVFWFLSA-N 2 2 302.805 3.431 20 0 DGADLP Clc1cccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000362298533 433628949 /nfs/dbraw/zinc/62/89/49/433628949.db2.gz KSODUNZNPUNNDZ-QGZVFWFLSA-N 2 2 302.805 3.431 20 0 DGADLP CC[NH+](CC)CCN(Cc1cccs1)c1cc(C)[nH+]cn1 ZINC000161851659 292842564 /nfs/dbraw/zinc/84/25/64/292842564.db2.gz RECWWARUOIXJNC-UHFFFAOYSA-N 2 2 304.463 3.195 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000376002844 433636006 /nfs/dbraw/zinc/63/60/06/433636006.db2.gz GBMAWTRUMGFLQT-ZAWLATJESA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000376002844 433636015 /nfs/dbraw/zinc/63/60/15/433636015.db2.gz GBMAWTRUMGFLQT-ZAWLATJESA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002844 433636022 /nfs/dbraw/zinc/63/60/22/433636022.db2.gz GBMAWTRUMGFLQT-ZAWLATJESA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002844 433636029 /nfs/dbraw/zinc/63/60/29/433636029.db2.gz GBMAWTRUMGFLQT-ZAWLATJESA-N 3 2 307.526 3.102 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351580798 433595592 /nfs/dbraw/zinc/59/55/92/433595592.db2.gz MCCNAZSGIXPYCY-WMLDXEAASA-N 2 2 322.518 3.293 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351580798 433595601 /nfs/dbraw/zinc/59/56/01/433595601.db2.gz MCCNAZSGIXPYCY-WMLDXEAASA-N 2 2 322.518 3.293 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)s1 ZINC000414398673 433595843 /nfs/dbraw/zinc/59/58/43/433595843.db2.gz WWLJGSIYQMUTNW-LLVKDONJSA-N 2 2 312.870 3.442 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000351590624 433602737 /nfs/dbraw/zinc/60/27/37/433602737.db2.gz XSZBIXPWTYZNLV-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000351590624 433602745 /nfs/dbraw/zinc/60/27/45/433602745.db2.gz XSZBIXPWTYZNLV-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000351590624 433602749 /nfs/dbraw/zinc/60/27/49/433602749.db2.gz XSZBIXPWTYZNLV-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2cc(Cl)ccc2nc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000351590624 433602758 /nfs/dbraw/zinc/60/27/58/433602758.db2.gz XSZBIXPWTYZNLV-ZDUSSCGKSA-N 2 2 320.868 3.000 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609731 433611239 /nfs/dbraw/zinc/61/12/39/433611239.db2.gz TUGABBIUBKZKJI-UXHICEINSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609731 433611241 /nfs/dbraw/zinc/61/12/41/433611241.db2.gz TUGABBIUBKZKJI-UXHICEINSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000351609731 433611250 /nfs/dbraw/zinc/61/12/50/433611250.db2.gz TUGABBIUBKZKJI-UXHICEINSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609731 433611255 /nfs/dbraw/zinc/61/12/55/433611255.db2.gz TUGABBIUBKZKJI-UXHICEINSA-N 3 2 321.553 3.305 20 0 DGADLP Cc1n[nH]cc1C[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000342316684 433612058 /nfs/dbraw/zinc/61/20/58/433612058.db2.gz ZUDZBVYVDZSUIX-LJQANCHMSA-N 2 2 314.477 3.309 20 0 DGADLP CC(C)O[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000293195762 433648689 /nfs/dbraw/zinc/64/86/89/433648689.db2.gz OQYUYKXEVPSURM-SFHVURJKSA-N 2 2 301.434 3.371 20 0 DGADLP CC(C)O[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000293195762 433648697 /nfs/dbraw/zinc/64/86/97/433648697.db2.gz OQYUYKXEVPSURM-SFHVURJKSA-N 2 2 301.434 3.371 20 0 DGADLP CC[C@H](Nc1cccc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301672265 433668002 /nfs/dbraw/zinc/66/80/02/433668002.db2.gz QWONCXNCGABEAH-ZWKOTPCHSA-N 2 2 311.429 3.173 20 0 DGADLP CC[C@H](Nc1cccc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301672265 433668010 /nfs/dbraw/zinc/66/80/10/433668010.db2.gz QWONCXNCGABEAH-ZWKOTPCHSA-N 2 2 311.429 3.173 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449020826 433673081 /nfs/dbraw/zinc/67/30/81/433673081.db2.gz WRJVIFJHWVZFKH-UHFFFAOYSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000414507047 433676833 /nfs/dbraw/zinc/67/68/33/433676833.db2.gz ABTNNNVODHFXRY-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000414507047 433676841 /nfs/dbraw/zinc/67/68/41/433676841.db2.gz ABTNNNVODHFXRY-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP COC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(Cl)c1 ZINC000342421601 433683633 /nfs/dbraw/zinc/68/36/33/433683633.db2.gz PKCBGFBOYZQMST-MRXNPFEDSA-N 2 2 315.804 3.465 20 0 DGADLP CC(C)SCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000366913797 293003914 /nfs/dbraw/zinc/00/39/14/293003914.db2.gz UFLXCNIYJNECDV-RDJZCZTQSA-N 2 2 307.507 3.023 20 0 DGADLP CC(C)SCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000366913797 293003916 /nfs/dbraw/zinc/00/39/16/293003916.db2.gz UFLXCNIYJNECDV-RDJZCZTQSA-N 2 2 307.507 3.023 20 0 DGADLP CCn1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000414480944 433651244 /nfs/dbraw/zinc/65/12/44/433651244.db2.gz KUUJMWKFVMSXGV-UHFFFAOYSA-N 2 2 314.477 3.151 20 0 DGADLP CCn1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000414480944 433651256 /nfs/dbraw/zinc/65/12/56/433651256.db2.gz KUUJMWKFVMSXGV-UHFFFAOYSA-N 2 2 314.477 3.151 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449038388 433696168 /nfs/dbraw/zinc/69/61/68/433696168.db2.gz UEOQEYBROYIVBZ-KRWDZBQOSA-N 2 2 316.493 3.162 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449038388 433696177 /nfs/dbraw/zinc/69/61/77/433696177.db2.gz UEOQEYBROYIVBZ-KRWDZBQOSA-N 2 2 316.493 3.162 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449038388 433696191 /nfs/dbraw/zinc/69/61/91/433696191.db2.gz UEOQEYBROYIVBZ-KRWDZBQOSA-N 2 2 316.493 3.162 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449038388 433696198 /nfs/dbraw/zinc/69/61/98/433696198.db2.gz UEOQEYBROYIVBZ-KRWDZBQOSA-N 2 2 316.493 3.162 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCOC3)C2)cc1 ZINC000367166888 293032976 /nfs/dbraw/zinc/03/29/76/293032976.db2.gz WYMMXCOJMIWRHM-PCCBWWKXSA-N 2 2 322.452 3.033 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCOC3)C2)cc1 ZINC000367166888 293032978 /nfs/dbraw/zinc/03/29/78/293032978.db2.gz WYMMXCOJMIWRHM-PCCBWWKXSA-N 2 2 322.452 3.033 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccnn1C1CCCC1 ZINC000449037894 433697196 /nfs/dbraw/zinc/69/71/96/433697196.db2.gz PZELEWKVGHNHAT-KRWDZBQOSA-N 2 2 313.449 3.168 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000449037894 433697208 /nfs/dbraw/zinc/69/72/08/433697208.db2.gz PZELEWKVGHNHAT-KRWDZBQOSA-N 2 2 313.449 3.168 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000367436631 293071635 /nfs/dbraw/zinc/07/16/35/293071635.db2.gz GQSKLXLZGMIAFQ-OAHLLOKOSA-N 2 2 321.428 3.256 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000367447213 293073832 /nfs/dbraw/zinc/07/38/32/293073832.db2.gz JXTUZKQOYSTSPI-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000367447213 293073836 /nfs/dbraw/zinc/07/38/36/293073836.db2.gz JXTUZKQOYSTSPI-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC000367464936 293076697 /nfs/dbraw/zinc/07/66/97/293076697.db2.gz WQDPUZNQNIAGSN-MHJFOBGBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC4CCC3CC4)C2)cc1 ZINC000367464936 293076698 /nfs/dbraw/zinc/07/66/98/293076698.db2.gz WQDPUZNQNIAGSN-MHJFOBGBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC000367464936 293076699 /nfs/dbraw/zinc/07/66/99/293076699.db2.gz WQDPUZNQNIAGSN-MHJFOBGBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC000367464936 293076700 /nfs/dbraw/zinc/07/67/00/293076700.db2.gz WQDPUZNQNIAGSN-MHJFOBGBSA-N 2 2 314.473 3.152 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)n1-c1ccccc1 ZINC000367682888 293089672 /nfs/dbraw/zinc/08/96/72/293089672.db2.gz HMLIZWNKOPGTHH-UZLBHIALSA-N 2 2 324.472 3.239 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367683647 293090331 /nfs/dbraw/zinc/09/03/31/293090331.db2.gz JCFMZVWNNZBMCB-QZTJIDSGSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367683647 293090334 /nfs/dbraw/zinc/09/03/34/293090334.db2.gz JCFMZVWNNZBMCB-QZTJIDSGSA-N 2 2 302.462 3.461 20 0 DGADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000368507188 293129239 /nfs/dbraw/zinc/12/92/39/293129239.db2.gz ITPYYWNYFFLVRZ-FLFBIERCSA-N 2 2 323.440 3.036 20 0 DGADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000368507188 293129242 /nfs/dbraw/zinc/12/92/42/293129242.db2.gz ITPYYWNYFFLVRZ-FLFBIERCSA-N 2 2 323.440 3.036 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n(C2CCCC2)n1 ZINC000449044222 433702405 /nfs/dbraw/zinc/70/24/05/433702405.db2.gz CHVVYDCRUXYOMQ-GOSISDBHSA-N 2 2 312.417 3.047 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n(C2CCCC2)n1 ZINC000449044222 433702412 /nfs/dbraw/zinc/70/24/12/433702412.db2.gz CHVVYDCRUXYOMQ-GOSISDBHSA-N 2 2 312.417 3.047 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000481048341 293151075 /nfs/dbraw/zinc/15/10/75/293151075.db2.gz LQHBGXYGRIHLNL-PMACEKPBSA-N 2 2 316.489 3.474 20 0 DGADLP COC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CC1 ZINC000125046653 293152778 /nfs/dbraw/zinc/15/27/78/293152778.db2.gz NTQNOGXIGTXEHG-RBUKOAKNSA-N 2 2 302.462 3.147 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000371278168 293208642 /nfs/dbraw/zinc/20/86/42/293208642.db2.gz WUUJTTAGYILYPQ-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000371278168 293208644 /nfs/dbraw/zinc/20/86/44/293208644.db2.gz WUUJTTAGYILYPQ-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050828 433710145 /nfs/dbraw/zinc/71/01/45/433710145.db2.gz VYKOKNYORXHPCR-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050828 433710153 /nfs/dbraw/zinc/71/01/53/433710153.db2.gz VYKOKNYORXHPCR-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000449050828 433710162 /nfs/dbraw/zinc/71/01/62/433710162.db2.gz VYKOKNYORXHPCR-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000449050828 433710169 /nfs/dbraw/zinc/71/01/69/433710169.db2.gz VYKOKNYORXHPCR-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000373262905 293253781 /nfs/dbraw/zinc/25/37/81/293253781.db2.gz BNGXIYIYDLJXHP-OAHLLOKOSA-N 2 2 317.408 3.338 20 0 DGADLP COCCCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659912 433711097 /nfs/dbraw/zinc/71/10/97/433711097.db2.gz CRKJSGYDCUJBMF-INIZCTEOSA-N 2 2 301.434 3.236 20 0 DGADLP COCCCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659912 433711105 /nfs/dbraw/zinc/71/11/05/433711105.db2.gz CRKJSGYDCUJBMF-INIZCTEOSA-N 2 2 301.434 3.236 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000374071869 293349698 /nfs/dbraw/zinc/34/96/98/293349698.db2.gz KOUJMAJLRQDJBQ-SFHVURJKSA-N 2 2 319.493 3.272 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000374071869 293349702 /nfs/dbraw/zinc/34/97/02/293349702.db2.gz KOUJMAJLRQDJBQ-SFHVURJKSA-N 2 2 319.493 3.272 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000374269147 293374527 /nfs/dbraw/zinc/37/45/27/293374527.db2.gz NFVLIPSJIAAVHI-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000374269147 293374529 /nfs/dbraw/zinc/37/45/29/293374529.db2.gz NFVLIPSJIAAVHI-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000374269147 293374533 /nfs/dbraw/zinc/37/45/33/293374533.db2.gz NFVLIPSJIAAVHI-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000374269147 293374536 /nfs/dbraw/zinc/37/45/36/293374536.db2.gz NFVLIPSJIAAVHI-FUHWJXTLSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449063550 433721897 /nfs/dbraw/zinc/72/18/97/433721897.db2.gz QHPRSRKMDVRRDJ-UHFFFAOYSA-N 2 2 323.444 3.446 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356843906 433727196 /nfs/dbraw/zinc/72/71/96/433727196.db2.gz HKJFVNSPFRTDJT-ZDUSSCGKSA-N 2 2 315.383 3.019 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000449398965 433745661 /nfs/dbraw/zinc/74/56/61/433745661.db2.gz XIQUCCIRPFXDMU-UFYCRDLUSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000449398965 433745666 /nfs/dbraw/zinc/74/56/66/433745666.db2.gz XIQUCCIRPFXDMU-UFYCRDLUSA-N 2 2 316.489 3.149 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1[nH]c2ccccc2[nH+]1 ZINC000342710425 433748778 /nfs/dbraw/zinc/74/87/78/433748778.db2.gz RDYNLXFUTPYEER-HNNXBMFYSA-N 2 2 306.413 3.274 20 0 DGADLP CC(C)c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301833861 433750290 /nfs/dbraw/zinc/75/02/90/433750290.db2.gz VENSGJFVTZZGQA-OAHLLOKOSA-N 2 2 302.466 3.398 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](C)O ZINC000449543035 433750183 /nfs/dbraw/zinc/75/01/83/433750183.db2.gz NQAMYTHFNHKOMK-SUMWQHHRSA-N 2 2 310.869 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414621021 433753871 /nfs/dbraw/zinc/75/38/71/433753871.db2.gz QPVFQKWPTGBWQP-CYBMUJFWSA-N 2 2 313.405 3.016 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000421828818 433754092 /nfs/dbraw/zinc/75/40/92/433754092.db2.gz FKSSCXVHQNHVJR-HOTGVXAUSA-N 2 2 305.466 3.396 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848417 433754208 /nfs/dbraw/zinc/75/42/08/433754208.db2.gz COIKJRRFPXDMBX-GOEBONIOSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000351848417 433754215 /nfs/dbraw/zinc/75/42/15/433754215.db2.gz COIKJRRFPXDMBX-GOEBONIOSA-N 2 2 315.486 3.097 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421828876 433754580 /nfs/dbraw/zinc/75/45/80/433754580.db2.gz FTNDIPBJBHFGLN-QZTJIDSGSA-N 2 2 301.478 3.183 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421828876 433754584 /nfs/dbraw/zinc/75/45/84/433754584.db2.gz FTNDIPBJBHFGLN-QZTJIDSGSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449616574 433755817 /nfs/dbraw/zinc/75/58/17/433755817.db2.gz QSHCREPAJODPTL-IEBWSBKVSA-N 2 2 311.429 3.228 20 0 DGADLP FC1(F)Oc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2O1 ZINC000351856015 433755995 /nfs/dbraw/zinc/75/59/95/433755995.db2.gz QXROAPOARFAMTO-UHFFFAOYSA-N 2 2 324.371 3.068 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)c(F)c1 ZINC000421840919 433763062 /nfs/dbraw/zinc/76/30/62/433763062.db2.gz JFNQTGZVGHQNOO-UGSOOPFHSA-N 2 2 315.392 3.087 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@H+](C)Cc1ccccc1 ZINC000421837869 433763776 /nfs/dbraw/zinc/76/37/76/433763776.db2.gz UEZLPMKDZMIQCY-PXNSSMCTSA-N 2 2 323.484 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+](C)Cc1ccccc1 ZINC000421837869 433763784 /nfs/dbraw/zinc/76/37/84/433763784.db2.gz UEZLPMKDZMIQCY-PXNSSMCTSA-N 2 2 323.484 3.439 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000342861042 433765283 /nfs/dbraw/zinc/76/52/83/433765283.db2.gz VILGIRRVZZJLBR-GFCCVEGCSA-N 2 2 305.372 3.479 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000342861042 433765297 /nfs/dbraw/zinc/76/52/97/433765297.db2.gz VILGIRRVZZJLBR-GFCCVEGCSA-N 2 2 305.372 3.479 20 0 DGADLP Nc1nc(NC2CC[NH+](C3CCCC3)CC2)[nH+]c2ccccc12 ZINC000301864303 433767901 /nfs/dbraw/zinc/76/79/01/433767901.db2.gz DCBFJZMCSLCHCF-UHFFFAOYSA-N 2 2 311.433 3.031 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449757039 433768358 /nfs/dbraw/zinc/76/83/58/433768358.db2.gz QWUKLSCQEUNAIQ-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449757039 433768366 /nfs/dbraw/zinc/76/83/66/433768366.db2.gz QWUKLSCQEUNAIQ-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414652016 433770680 /nfs/dbraw/zinc/77/06/80/433770680.db2.gz CUWIEXQWAPNCQU-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414652016 433770690 /nfs/dbraw/zinc/77/06/90/433770690.db2.gz CUWIEXQWAPNCQU-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293521341 433770716 /nfs/dbraw/zinc/77/07/16/433770716.db2.gz UHWFOGMBNYUFDL-ATZDWAIDSA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293521341 433770726 /nfs/dbraw/zinc/77/07/26/433770726.db2.gz UHWFOGMBNYUFDL-ATZDWAIDSA-N 2 2 320.452 3.367 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356838650 433722711 /nfs/dbraw/zinc/72/27/11/433722711.db2.gz DSKPXQVJPSXONG-GOEBONIOSA-N 2 2 301.434 3.140 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000449070069 433725084 /nfs/dbraw/zinc/72/50/84/433725084.db2.gz IXXFOYZLDQNAQT-AWEZNQCLSA-N 2 2 310.363 3.308 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OC ZINC000414771864 433823337 /nfs/dbraw/zinc/82/33/37/433823337.db2.gz SCZQBMKWISEVKP-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OC ZINC000414771864 433823347 /nfs/dbraw/zinc/82/33/47/433823347.db2.gz SCZQBMKWISEVKP-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CC(C)c1nc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889222 433772775 /nfs/dbraw/zinc/77/27/75/433772775.db2.gz RLCVNMOQJPRUHS-SJLPKXTDSA-N 2 2 324.472 3.923 20 0 DGADLP CC(C)c1nc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000351889222 433772784 /nfs/dbraw/zinc/77/27/84/433772784.db2.gz RLCVNMOQJPRUHS-SJLPKXTDSA-N 2 2 324.472 3.923 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCCCNc3cccc[nH+]3)cn2c1 ZINC000283794042 433775762 /nfs/dbraw/zinc/77/57/62/433775762.db2.gz AOHGUQDRNKGAPK-UHFFFAOYSA-N 2 2 309.417 3.020 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000414657321 433775773 /nfs/dbraw/zinc/77/57/73/433775773.db2.gz OHNIDWWYCXRNQH-SCLBCKFNSA-N 2 2 316.424 3.022 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000414657321 433775781 /nfs/dbraw/zinc/77/57/81/433775781.db2.gz OHNIDWWYCXRNQH-SCLBCKFNSA-N 2 2 316.424 3.022 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000375266721 293504698 /nfs/dbraw/zinc/50/46/98/293504698.db2.gz GYJPWNLFGODSDS-LBPRGKRZSA-N 2 2 303.381 3.218 20 0 DGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000301887099 433778827 /nfs/dbraw/zinc/77/88/27/433778827.db2.gz PKJJYVRIOYYEFE-AWEZNQCLSA-N 2 2 306.413 3.422 20 0 DGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000301887099 433778838 /nfs/dbraw/zinc/77/88/38/433778838.db2.gz PKJJYVRIOYYEFE-AWEZNQCLSA-N 2 2 306.413 3.422 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000375269617 293505468 /nfs/dbraw/zinc/50/54/68/293505468.db2.gz QVYLUMGKFUFJBU-CYBMUJFWSA-N 2 2 315.417 3.087 20 0 DGADLP C[N@H+](CC[NH2+][C@@H](CCO)C1CCCCC1)Cc1ccccc1 ZINC000429699508 433781261 /nfs/dbraw/zinc/78/12/61/433781261.db2.gz QHQMFQBVZITNDQ-IBGZPJMESA-N 2 2 304.478 3.039 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H](CCO)C1CCCCC1)Cc1ccccc1 ZINC000429699508 433781265 /nfs/dbraw/zinc/78/12/65/433781265.db2.gz QHQMFQBVZITNDQ-IBGZPJMESA-N 2 2 304.478 3.039 20 0 DGADLP Cc1ccoc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786324 433795660 /nfs/dbraw/zinc/79/56/60/433795660.db2.gz MYXWHGNRBTXVSU-UHFFFAOYSA-N 2 2 304.356 3.437 20 0 DGADLP Cc1ccoc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786324 433795669 /nfs/dbraw/zinc/79/56/69/433795669.db2.gz MYXWHGNRBTXVSU-UHFFFAOYSA-N 2 2 304.356 3.437 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430967272 433801036 /nfs/dbraw/zinc/80/10/36/433801036.db2.gz RHVPNZDHYCPEBU-RDBSUJKOSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430967272 433801045 /nfs/dbraw/zinc/80/10/45/433801045.db2.gz RHVPNZDHYCPEBU-RDBSUJKOSA-N 2 2 323.868 3.035 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1[nH+]c2ccc(F)cc2n1C ZINC000431045305 433802459 /nfs/dbraw/zinc/80/24/59/433802459.db2.gz OQZBZBAVTXTYQB-CQSZACIVSA-N 2 2 318.440 3.201 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1[nH+]c2ccc(F)cc2n1C ZINC000431045305 433802469 /nfs/dbraw/zinc/80/24/69/433802469.db2.gz OQZBZBAVTXTYQB-CQSZACIVSA-N 2 2 318.440 3.201 20 0 DGADLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1SC ZINC000376730634 433804508 /nfs/dbraw/zinc/80/45/08/433804508.db2.gz ZAJUBJLIHNQSMO-UHFFFAOYSA-N 2 2 317.458 3.240 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@H]1C ZINC000351943039 433807190 /nfs/dbraw/zinc/80/71/90/433807190.db2.gz JTUYFLRVJUJASR-HIFRSBDPSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc[nH+]c2C)C[C@H]1C ZINC000351943039 433807200 /nfs/dbraw/zinc/80/72/00/433807200.db2.gz JTUYFLRVJUJASR-HIFRSBDPSA-N 2 2 304.438 3.035 20 0 DGADLP Cc1cc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000421927313 433809571 /nfs/dbraw/zinc/80/95/71/433809571.db2.gz ZMDPJCVSNXPVSH-SFHVURJKSA-N 2 2 311.429 3.008 20 0 DGADLP Cc1nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302050631 433812906 /nfs/dbraw/zinc/81/29/06/433812906.db2.gz NRGXWIJVVSIAML-AWEZNQCLSA-N 2 2 300.450 3.093 20 0 DGADLP Cc1nc(N[C@H]2CC[N@H+](C3CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302050631 433812915 /nfs/dbraw/zinc/81/29/15/433812915.db2.gz NRGXWIJVVSIAML-AWEZNQCLSA-N 2 2 300.450 3.093 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000351959446 433818053 /nfs/dbraw/zinc/81/80/53/433818053.db2.gz YMSKBWHWXGIDHN-CQSZACIVSA-N 2 2 304.438 3.084 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000293660797 433821147 /nfs/dbraw/zinc/82/11/47/433821147.db2.gz PPHRWZIDEIQWNA-UHFFFAOYSA-N 2 2 306.356 3.022 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccccc1 ZINC000414840615 433875836 /nfs/dbraw/zinc/87/58/36/433875836.db2.gz XIFLVBBPRXADRJ-MRXNPFEDSA-N 2 2 324.346 3.417 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000343832277 433833340 /nfs/dbraw/zinc/83/33/40/433833340.db2.gz FQHBHRDZWSRPGS-JTQLQIEISA-N 2 2 307.385 3.298 20 0 DGADLP CCCCOc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1OC ZINC000414794681 433837758 /nfs/dbraw/zinc/83/77/58/433837758.db2.gz VNQSARBUOAWBHY-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP CCCCOc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1OC ZINC000414794681 433837768 /nfs/dbraw/zinc/83/77/68/433837768.db2.gz VNQSARBUOAWBHY-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414808150 433847644 /nfs/dbraw/zinc/84/76/44/433847644.db2.gz KJQJAOOSKNODKM-FUHWJXTLSA-N 3 2 303.494 3.147 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414808150 433847650 /nfs/dbraw/zinc/84/76/50/433847650.db2.gz KJQJAOOSKNODKM-FUHWJXTLSA-N 3 2 303.494 3.147 20 0 DGADLP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)c(Cl)c1OC ZINC000414842335 433877969 /nfs/dbraw/zinc/87/79/69/433877969.db2.gz MIGHUDBYBQDNDV-UHFFFAOYSA-N 2 2 312.841 3.108 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C12CCCC2 ZINC000344115368 433849152 /nfs/dbraw/zinc/84/91/52/433849152.db2.gz XDYCRVPEPGUCGY-BRWVUGGUSA-N 2 2 317.477 3.396 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)CCC2 ZINC000344100618 433849481 /nfs/dbraw/zinc/84/94/81/433849481.db2.gz LBVRGLSXUBUNAN-HZMVEIRTSA-N 2 2 315.461 3.006 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1Br ZINC000414804874 433850519 /nfs/dbraw/zinc/85/05/19/433850519.db2.gz XYZIVXCHBGWAQG-LBPRGKRZSA-N 2 2 305.647 3.175 20 0 DGADLP CC[N@H+](C)[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456834598 433850849 /nfs/dbraw/zinc/85/08/49/433850849.db2.gz HRVBONSHYHPQGT-GOSISDBHSA-N 2 2 311.429 3.008 20 0 DGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456834598 433850859 /nfs/dbraw/zinc/85/08/59/433850859.db2.gz HRVBONSHYHPQGT-GOSISDBHSA-N 2 2 311.429 3.008 20 0 DGADLP CC(C)([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414809278 433854823 /nfs/dbraw/zinc/85/48/23/433854823.db2.gz VKNGTGNDLQJXSZ-UHFFFAOYSA-N 2 2 314.477 3.056 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CCC2)cc1 ZINC000344297555 433856404 /nfs/dbraw/zinc/85/64/04/433856404.db2.gz OKDLBWSGBMCMRE-DOTOQJQBSA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CCC2)cc1 ZINC000344297555 433856414 /nfs/dbraw/zinc/85/64/14/433856414.db2.gz OKDLBWSGBMCMRE-DOTOQJQBSA-N 2 2 314.473 3.332 20 0 DGADLP Fc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414826463 433863012 /nfs/dbraw/zinc/86/30/12/433863012.db2.gz IXGDKKZEYVEERU-LBPRGKRZSA-N 2 2 305.422 3.038 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414822389 433863910 /nfs/dbraw/zinc/86/39/10/433863910.db2.gz GLEBDFVYJFQIJN-UHFFFAOYSA-N 2 2 314.273 3.423 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)C1CCCCC1 ZINC000414831665 433866643 /nfs/dbraw/zinc/86/66/43/433866643.db2.gz CVLHYWSKKBSXOQ-INIZCTEOSA-N 2 2 316.474 3.202 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C2CCCCC2)n1 ZINC000414828157 433867406 /nfs/dbraw/zinc/86/74/06/433867406.db2.gz IMCWVYLNZCMGGS-GOSISDBHSA-N 2 2 312.461 3.257 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414833363 433868778 /nfs/dbraw/zinc/86/87/78/433868778.db2.gz ANHHPGMCYYHNQY-HKUYNNGSSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833363 433868784 /nfs/dbraw/zinc/86/87/84/433868784.db2.gz ANHHPGMCYYHNQY-HKUYNNGSSA-N 3 2 315.505 3.291 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(C2CCCCC2)n1 ZINC000414828159 433869126 /nfs/dbraw/zinc/86/91/26/433869126.db2.gz IMCWVYLNZCMGGS-SFHVURJKSA-N 2 2 312.461 3.257 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000344522756 433871123 /nfs/dbraw/zinc/87/11/23/433871123.db2.gz KULLHFQAWWKGSN-IRXDYDNUSA-N 2 2 308.510 3.434 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000344522753 433871593 /nfs/dbraw/zinc/87/15/93/433871593.db2.gz KULLHFQAWWKGSN-IAGOWNOFSA-N 2 2 308.510 3.434 20 0 DGADLP COCC[NH2+]CC[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC000414869957 433895403 /nfs/dbraw/zinc/89/54/03/433895403.db2.gz GOXGMLCYZRHUIS-UHFFFAOYSA-N 2 2 304.459 3.049 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)cc2)cc1 ZINC000414876649 433901914 /nfs/dbraw/zinc/90/19/14/433901914.db2.gz DRHAYBDYNLFZLA-WOJBJXKFSA-N 2 2 310.441 3.239 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)s2)cc1 ZINC000414891116 433903732 /nfs/dbraw/zinc/90/37/32/433903732.db2.gz VBGNCTHESHLLLV-QZTJIDSGSA-N 2 2 316.470 3.300 20 0 DGADLP COc1cccc2c(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc(C)[nH+]c12 ZINC000352090171 433905216 /nfs/dbraw/zinc/90/52/16/433905216.db2.gz WKXXZSSZOAUEOA-PBHICJAKSA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc(C)[nH+]c12 ZINC000352090171 433905221 /nfs/dbraw/zinc/90/52/21/433905221.db2.gz WKXXZSSZOAUEOA-PBHICJAKSA-N 2 2 311.429 3.082 20 0 DGADLP C[C@]1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCC[NH2+]C1 ZINC000414904527 433909325 /nfs/dbraw/zinc/90/93/25/433909325.db2.gz KCSNRIBDKBCLBS-KRWDZBQOSA-N 2 2 301.459 3.289 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436293642 433929667 /nfs/dbraw/zinc/92/96/67/433929667.db2.gz OSNCFBJCEGJLHC-QRQLOZEOSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436293642 433929679 /nfs/dbraw/zinc/92/96/79/433929679.db2.gz OSNCFBJCEGJLHC-QRQLOZEOSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293642 433929689 /nfs/dbraw/zinc/92/96/89/433929689.db2.gz OSNCFBJCEGJLHC-QRQLOZEOSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293642 433929697 /nfs/dbraw/zinc/92/96/97/433929697.db2.gz OSNCFBJCEGJLHC-QRQLOZEOSA-N 3 2 307.526 3.103 20 0 DGADLP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccs2)cc1F ZINC000414943613 433930715 /nfs/dbraw/zinc/93/07/15/433930715.db2.gz FPCZILBKJRGDQN-CJNGLKHVSA-N 2 2 308.397 3.262 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000414943234 433931154 /nfs/dbraw/zinc/93/11/54/433931154.db2.gz CSAXOQRDJAVMSR-MJGOQNOKSA-N 2 2 312.844 3.284 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccs2)cc1F ZINC000414943617 433931812 /nfs/dbraw/zinc/93/18/12/433931812.db2.gz FPCZILBKJRGDQN-XJKSGUPXSA-N 2 2 308.397 3.262 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000414845823 433879214 /nfs/dbraw/zinc/87/92/14/433879214.db2.gz SYZZAMXRGVAXHF-SECBINFHSA-N 2 2 305.647 3.048 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414854294 433883266 /nfs/dbraw/zinc/88/32/66/433883266.db2.gz ZETDYDNJDYTHCJ-CYBMUJFWSA-N 2 2 306.356 3.283 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293844710 433891040 /nfs/dbraw/zinc/89/10/40/433891040.db2.gz CGMZXBNNUZFVIT-RNIPGJKVSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293844710 433891047 /nfs/dbraw/zinc/89/10/47/433891047.db2.gz CGMZXBNNUZFVIT-RNIPGJKVSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861763 433891981 /nfs/dbraw/zinc/89/19/81/433891981.db2.gz WTUXXSZPJINOGS-PIKOESSRSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000414861763 433891990 /nfs/dbraw/zinc/89/19/90/433891990.db2.gz WTUXXSZPJINOGS-PIKOESSRSA-N 3 2 315.505 3.017 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295889 433941741 /nfs/dbraw/zinc/94/17/41/433941741.db2.gz XQVPOHGXNJGZAL-RBUKOAKNSA-N 2 2 304.478 3.474 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295889 433941748 /nfs/dbraw/zinc/94/17/48/433941748.db2.gz XQVPOHGXNJGZAL-RBUKOAKNSA-N 2 2 304.478 3.474 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000414958644 433942095 /nfs/dbraw/zinc/94/20/95/433942095.db2.gz RISFMVHFDVTJRV-XLIONFOSSA-N 2 2 322.452 3.029 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414962057 433942598 /nfs/dbraw/zinc/94/25/98/433942598.db2.gz ZNNKOELDBCCLKZ-BXKDBHETSA-N 2 2 303.233 3.232 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422710715 433945251 /nfs/dbraw/zinc/94/52/51/433945251.db2.gz MBCKQELOINQXSC-CEXWTWQISA-N 2 2 313.420 3.163 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000414969781 433946161 /nfs/dbraw/zinc/94/61/61/433946161.db2.gz UAZQFQBWVVKCJD-UZLBHIALSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000414969781 433946174 /nfs/dbraw/zinc/94/61/74/433946174.db2.gz UAZQFQBWVVKCJD-UZLBHIALSA-N 2 2 309.457 3.187 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442044 433947071 /nfs/dbraw/zinc/94/70/71/433947071.db2.gz FSJAWJPWGGKZMI-PXNSSMCTSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442044 433947077 /nfs/dbraw/zinc/94/70/77/433947077.db2.gz FSJAWJPWGGKZMI-PXNSSMCTSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285442044 433947086 /nfs/dbraw/zinc/94/70/86/433947086.db2.gz FSJAWJPWGGKZMI-PXNSSMCTSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285442044 433947097 /nfs/dbraw/zinc/94/70/97/433947097.db2.gz FSJAWJPWGGKZMI-PXNSSMCTSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000422720058 433948708 /nfs/dbraw/zinc/94/87/08/433948708.db2.gz RYZVFQYTOPPMNZ-RYRKJORJSA-N 2 2 304.478 3.099 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726818 433949224 /nfs/dbraw/zinc/94/92/24/433949224.db2.gz GAILOALACROPKN-TXPKVOOTSA-N 3 2 317.521 3.175 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726818 433949232 /nfs/dbraw/zinc/94/92/32/433949232.db2.gz GAILOALACROPKN-TXPKVOOTSA-N 3 2 317.521 3.175 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422725608 433952730 /nfs/dbraw/zinc/95/27/30/433952730.db2.gz BZJSTZYONBBPBZ-JQHSSLGASA-N 3 2 303.494 3.223 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414981204 433952880 /nfs/dbraw/zinc/95/28/80/433952880.db2.gz QOUSNHUFXQVAOX-QGZVFWFLSA-N 2 2 314.477 3.056 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)sc2C1 ZINC000345846118 433952908 /nfs/dbraw/zinc/95/29/08/433952908.db2.gz IUBOEIHKZIAWHN-STQMWFEESA-N 2 2 316.474 3.132 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414982711 433958622 /nfs/dbraw/zinc/95/86/22/433958622.db2.gz YYXATECQDUBENN-ZDUSSCGKSA-N 2 2 307.488 3.349 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](CC[NH3+])C(F)F ZINC000414986546 433958835 /nfs/dbraw/zinc/95/88/35/433958835.db2.gz HTFHHWUHKLBOQD-BXKDBHETSA-N 2 2 310.310 3.209 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccncc1F ZINC000340173811 433959980 /nfs/dbraw/zinc/95/99/80/433959980.db2.gz LHFPLVAEELIORP-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422739493 433960671 /nfs/dbraw/zinc/96/06/71/433960671.db2.gz LMDWTHZYMQZJNW-RLLQIKCJSA-N 3 2 315.505 3.190 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422739493 433960682 /nfs/dbraw/zinc/96/06/82/433960682.db2.gz LMDWTHZYMQZJNW-RLLQIKCJSA-N 3 2 315.505 3.190 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340181579 433961733 /nfs/dbraw/zinc/96/17/33/433961733.db2.gz QLDCASLRHHENDH-KSSFIOAISA-N 2 2 301.434 3.282 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422745281 433968213 /nfs/dbraw/zinc/96/82/13/433968213.db2.gz LUCGFEMHSSWWLK-KPFFTGBYSA-N 3 2 315.505 3.319 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422750623 433973564 /nfs/dbraw/zinc/97/35/64/433973564.db2.gz AEEHWEBOZZBSLR-LPHOPBHVSA-N 2 2 304.478 3.099 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000422746597 433973583 /nfs/dbraw/zinc/97/35/83/433973583.db2.gz NXAHCGSUFUXVOV-YESZJQIVSA-N 2 2 309.885 3.192 20 0 DGADLP C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422764775 433982139 /nfs/dbraw/zinc/98/21/39/433982139.db2.gz QHNBZJWLSXKPJT-DYEKYZERSA-N 2 2 316.367 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000414955037 433936662 /nfs/dbraw/zinc/93/66/62/433936662.db2.gz TXWYVYIZBBQMJZ-BXKDBHETSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@H]1C[N@H+](CCCC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377642887 433939821 /nfs/dbraw/zinc/93/98/21/433939821.db2.gz CMWXANYRVVYOLB-ICSRJNTNSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377642887 433939827 /nfs/dbraw/zinc/93/98/27/433939827.db2.gz CMWXANYRVVYOLB-ICSRJNTNSA-N 2 2 321.553 3.305 20 0 DGADLP CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422701975 433940173 /nfs/dbraw/zinc/94/01/73/433940173.db2.gz JRZBRVUOEMIFTH-RTBURBONSA-N 2 2 315.505 3.073 20 0 DGADLP CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422701975 433940181 /nfs/dbraw/zinc/94/01/81/433940181.db2.gz JRZBRVUOEMIFTH-RTBURBONSA-N 2 2 315.505 3.073 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422790739 434005057 /nfs/dbraw/zinc/00/50/57/434005057.db2.gz PSJZRSWANFAYPC-HNAYVOBHSA-N 2 2 321.424 3.390 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000422791788 434005388 /nfs/dbraw/zinc/00/53/88/434005388.db2.gz DFHMLGJCBXWPLG-AEFFLSMTSA-N 2 2 304.478 3.101 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000377826513 434007579 /nfs/dbraw/zinc/00/75/79/434007579.db2.gz NFMPGAYKIXEHAN-LJQANCHMSA-N 2 2 318.424 3.472 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000377826513 434007590 /nfs/dbraw/zinc/00/75/90/434007590.db2.gz NFMPGAYKIXEHAN-LJQANCHMSA-N 2 2 318.424 3.472 20 0 DGADLP CCCn1c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)nc2ccccc21 ZINC000377826437 434008069 /nfs/dbraw/zinc/00/80/69/434008069.db2.gz MPHBOROAAWIJQM-HNNXBMFYSA-N 2 2 323.444 3.169 20 0 DGADLP CCCn1c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)nc2ccccc21 ZINC000377826437 434008077 /nfs/dbraw/zinc/00/80/77/434008077.db2.gz MPHBOROAAWIJQM-HNNXBMFYSA-N 2 2 323.444 3.169 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422803036 434015750 /nfs/dbraw/zinc/01/57/50/434015750.db2.gz CHSFJUZUMXFMMB-ZIAGYGMSSA-N 2 2 315.230 3.338 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C(C)(C)O)n1-c1ccccc1 ZINC000393674008 293832598 /nfs/dbraw/zinc/83/25/98/293832598.db2.gz SHUZKNXGPRAXBT-UHFFFAOYSA-N 2 2 301.434 3.067 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340256985 434018821 /nfs/dbraw/zinc/01/88/21/434018821.db2.gz IYPVJDTXQPQCDG-BHIYHBOVSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340256985 434018829 /nfs/dbraw/zinc/01/88/29/434018829.db2.gz IYPVJDTXQPQCDG-BHIYHBOVSA-N 2 2 304.478 3.036 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000340262023 434022911 /nfs/dbraw/zinc/02/29/11/434022911.db2.gz UQAOECIICWUCEQ-MOPGFXCFSA-N 3 2 324.472 3.309 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000340262023 434022920 /nfs/dbraw/zinc/02/29/20/434022920.db2.gz UQAOECIICWUCEQ-MOPGFXCFSA-N 3 2 324.472 3.309 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422815942 434026303 /nfs/dbraw/zinc/02/63/03/434026303.db2.gz YRYDZVJSEKCADY-BXKDBHETSA-N 2 2 304.768 3.029 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422826338 434028391 /nfs/dbraw/zinc/02/83/91/434028391.db2.gz QSXKVJRKDTYAQL-KDOFPFPSSA-N 2 2 318.461 3.247 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000422824048 434029701 /nfs/dbraw/zinc/02/97/01/434029701.db2.gz GCIFRFZAFLKURQ-HKUYNNGSSA-N 3 2 303.494 3.239 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422826835 434031493 /nfs/dbraw/zinc/03/14/93/434031493.db2.gz CVIQLWVLPKUFPH-SLFFLAALSA-N 3 2 317.521 3.047 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000340282627 434033245 /nfs/dbraw/zinc/03/32/45/434033245.db2.gz BBCCIYZKXILFHJ-SQNIBIBYSA-N 2 2 304.482 3.029 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000340282627 434033250 /nfs/dbraw/zinc/03/32/50/434033250.db2.gz BBCCIYZKXILFHJ-SQNIBIBYSA-N 2 2 304.482 3.029 20 0 DGADLP Cc1ccc([C@@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+]2CCCC2)cc1 ZINC000422828180 434036299 /nfs/dbraw/zinc/03/62/99/434036299.db2.gz NTZJSDUMTYXJSA-OXQOHEQNSA-N 2 2 324.472 3.290 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N2CCCC2)cc1 ZINC000422828180 434036309 /nfs/dbraw/zinc/03/63/09/434036309.db2.gz NTZJSDUMTYXJSA-OXQOHEQNSA-N 2 2 324.472 3.290 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000422827476 434037019 /nfs/dbraw/zinc/03/70/19/434037019.db2.gz NAAYVHHVYQJLLK-UXHICEINSA-N 3 2 318.424 3.166 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842239 434044632 /nfs/dbraw/zinc/04/46/32/434044632.db2.gz FMCVVFWUXGEAEL-DYVFJYSZSA-N 2 2 315.392 3.101 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422844749 434044855 /nfs/dbraw/zinc/04/48/55/434044855.db2.gz MXTXEBTUCJLEGT-IRXDYDNUSA-N 2 2 312.413 3.328 20 0 DGADLP C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)[C@@H]1CCCC[NH2+]1 ZINC000422787396 433998664 /nfs/dbraw/zinc/99/86/64/433998664.db2.gz QFDIFJNOUXVDIC-PBHICJAKSA-N 2 2 315.486 3.473 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCOCCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422786554 433999728 /nfs/dbraw/zinc/99/97/28/433999728.db2.gz SMBLDTBXNDTBIO-RTBURBONSA-N 2 2 320.477 3.141 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C2CC2)s1 ZINC000352245159 434001537 /nfs/dbraw/zinc/00/15/37/434001537.db2.gz DJKIMJXRGXBIJR-QGZVFWFLSA-N 2 2 301.459 3.446 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000414952984 293892208 /nfs/dbraw/zinc/89/22/08/293892208.db2.gz IYRHGFATBAZLNA-RXVVDRJESA-N 2 2 322.452 3.029 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414955887 293892835 /nfs/dbraw/zinc/89/28/35/293892835.db2.gz UWLGLQCMGJIZIN-RHSMWYFYSA-N 3 2 321.896 3.035 20 0 DGADLP C[C@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccc(F)cc1 ZINC000353125420 434065273 /nfs/dbraw/zinc/06/52/73/434065273.db2.gz LAQBLZBUNLSJDP-CQSZACIVSA-N 2 2 310.376 3.681 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422865724 434065401 /nfs/dbraw/zinc/06/54/01/434065401.db2.gz PLRJXIONJJIPAP-LSDHHAIUSA-N 2 2 316.474 3.244 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccnc(Cl)c1 ZINC000285780054 434068302 /nfs/dbraw/zinc/06/83/02/434068302.db2.gz UALOJQHYQQFBTO-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccnc(Cl)c1 ZINC000285780054 434068309 /nfs/dbraw/zinc/06/83/09/434068309.db2.gz UALOJQHYQQFBTO-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccnc(Cl)c1)Cc1ccco1 ZINC000285780054 434068316 /nfs/dbraw/zinc/06/83/16/434068316.db2.gz UALOJQHYQQFBTO-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccnc(Cl)c1)Cc1ccco1 ZINC000285780054 434068323 /nfs/dbraw/zinc/06/83/23/434068323.db2.gz UALOJQHYQQFBTO-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP CCC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422877872 434072461 /nfs/dbraw/zinc/07/24/61/434072461.db2.gz SDJHMEVCRFKBHZ-MRRJBJDNSA-N 2 2 312.404 3.163 20 0 DGADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OCCC(C)C ZINC000422880340 434078812 /nfs/dbraw/zinc/07/88/12/434078812.db2.gz LSVLJWJSDXHFGF-WBVHZDCISA-N 2 2 320.477 3.350 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422899474 434097468 /nfs/dbraw/zinc/09/74/68/434097468.db2.gz OPYJAQHVSCCDHG-UXHICEINSA-N 3 2 315.505 3.209 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840157 434048083 /nfs/dbraw/zinc/04/80/83/434048083.db2.gz SCXQZBPNHAVDCV-CGTJXYLNSA-N 3 2 321.534 3.210 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840157 434048094 /nfs/dbraw/zinc/04/80/94/434048094.db2.gz SCXQZBPNHAVDCV-CGTJXYLNSA-N 3 2 321.534 3.210 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397429 434108173 /nfs/dbraw/zinc/10/81/73/434108173.db2.gz ZWUVFHCTSUGXGP-AZUAARDMSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C[C@@H]1c1ccccc1 ZINC000340397429 434108178 /nfs/dbraw/zinc/10/81/78/434108178.db2.gz ZWUVFHCTSUGXGP-AZUAARDMSA-N 2 2 320.440 3.259 20 0 DGADLP C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1c[nH+]ccc1N ZINC000422922507 434114375 /nfs/dbraw/zinc/11/43/75/434114375.db2.gz SYUWLSNPRUGEMV-VIFPVBQESA-N 2 2 311.307 3.085 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422930030 434117020 /nfs/dbraw/zinc/11/70/20/434117020.db2.gz AUBKFTRVJOSSMJ-DAYGRLMNSA-N 2 2 317.477 3.291 20 0 DGADLP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1C1CC1 ZINC000422932973 434117609 /nfs/dbraw/zinc/11/76/09/434117609.db2.gz CWOITPIHRUYKIY-RBSFLKMASA-N 2 2 305.491 3.421 20 0 DGADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1cccc(F)c1 ZINC000416399410 434120628 /nfs/dbraw/zinc/12/06/28/434120628.db2.gz HCECSJSLJGYOLX-UHFFFAOYSA-N 2 2 305.422 3.181 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2cc1Cl ZINC000450353964 434122097 /nfs/dbraw/zinc/12/20/97/434122097.db2.gz IJINVHAPTNDSPJ-GFCCVEGCSA-N 2 2 317.795 3.478 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340387002 434101012 /nfs/dbraw/zinc/10/10/12/434101012.db2.gz AIGDNFAKIADRNN-FHWLQOOXSA-N 2 2 324.472 3.296 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340387002 434101024 /nfs/dbraw/zinc/10/10/24/434101024.db2.gz AIGDNFAKIADRNN-FHWLQOOXSA-N 2 2 324.472 3.296 20 0 DGADLP C[NH+](C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)c1ccccc1Cl ZINC000497953132 294046076 /nfs/dbraw/zinc/04/60/76/294046076.db2.gz QPLVIQHPTJGTQN-INIZCTEOSA-N 2 2 314.820 3.353 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1OC1CCCC1 ZINC000422935317 434124990 /nfs/dbraw/zinc/12/49/90/434124990.db2.gz HEFIBYRMOARWEZ-YOEHRIQHSA-N 2 2 318.461 3.104 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Br)s1)c1c[nH+]ccc1N ZINC000422938436 434124158 /nfs/dbraw/zinc/12/41/58/434124158.db2.gz KUXZHRXKQXIPIP-MRVPVSSYSA-N 2 2 312.236 3.169 20 0 DGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502920813 294180212 /nfs/dbraw/zinc/18/02/12/294180212.db2.gz RXASBSDGDJHVBW-MRXNPFEDSA-N 2 2 314.433 3.012 20 0 DGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502920813 294180214 /nfs/dbraw/zinc/18/02/14/294180214.db2.gz RXASBSDGDJHVBW-MRXNPFEDSA-N 2 2 314.433 3.012 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450361752 434128046 /nfs/dbraw/zinc/12/80/46/434128046.db2.gz OXBIGHYVFBJQIE-AWEZNQCLSA-N 2 2 323.444 3.279 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450361752 434128055 /nfs/dbraw/zinc/12/80/55/434128055.db2.gz OXBIGHYVFBJQIE-AWEZNQCLSA-N 2 2 323.444 3.279 20 0 DGADLP Cc1ccc2c(C)cc(NCc3ccc(N(C)C)[nH+]c3)[nH+]c2c1 ZINC000506052525 294261127 /nfs/dbraw/zinc/26/11/27/294261127.db2.gz UWEILRJSUBCKNB-UHFFFAOYSA-N 2 2 306.413 3.347 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000507395509 294297168 /nfs/dbraw/zinc/29/71/68/294297168.db2.gz AHYKTNGDPSCFKK-RTBURBONSA-N 2 2 315.505 3.367 20 0 DGADLP Cc1ccc(Br)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000313750803 434130680 /nfs/dbraw/zinc/13/06/80/434130680.db2.gz LJYMYMBDSQPDHL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000313750803 434130684 /nfs/dbraw/zinc/13/06/84/434130684.db2.gz LJYMYMBDSQPDHL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000313750803 434130689 /nfs/dbraw/zinc/13/06/89/434130689.db2.gz LJYMYMBDSQPDHL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000313750803 434130691 /nfs/dbraw/zinc/13/06/91/434130691.db2.gz LJYMYMBDSQPDHL-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509645620 294359639 /nfs/dbraw/zinc/35/96/39/294359639.db2.gz ZYVDRPZBVCTUOW-KDURUIRLSA-N 2 2 315.505 3.462 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509645620 294359642 /nfs/dbraw/zinc/35/96/42/294359642.db2.gz ZYVDRPZBVCTUOW-KDURUIRLSA-N 2 2 315.505 3.462 20 0 DGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000357691188 434133489 /nfs/dbraw/zinc/13/34/89/434133489.db2.gz IPEJIAWPMZVSMD-JKSUJKDBSA-N 2 2 320.481 3.123 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)o2)cs1 ZINC000422950862 434133548 /nfs/dbraw/zinc/13/35/48/434133548.db2.gz WTBUZWVQPRRAGC-SMDDNHRTSA-N 2 2 305.447 3.332 20 0 DGADLP CCc1noc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340443616 434135814 /nfs/dbraw/zinc/13/58/14/434135814.db2.gz YNZXMYCAXXDFKQ-QFBILLFUSA-N 2 2 313.445 3.471 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363778792 434143754 /nfs/dbraw/zinc/14/37/54/434143754.db2.gz CELFPVQRSAWFRP-NWANDNLSSA-N 2 2 323.506 3.089 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363778792 434143759 /nfs/dbraw/zinc/14/37/59/434143759.db2.gz CELFPVQRSAWFRP-NWANDNLSSA-N 2 2 323.506 3.089 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCC(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000422969118 434145639 /nfs/dbraw/zinc/14/56/39/434145639.db2.gz TUOQFKZINDAICK-GJZGRUSLSA-N 2 2 316.367 3.420 20 0 DGADLP CC(C)[N@H+](C)CC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000340474879 434151711 /nfs/dbraw/zinc/15/17/11/434151711.db2.gz PAGCXHZBVIKZFI-UHFFFAOYSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC([NH+](C)Cc2ccccc2)CC1 ZINC000340474879 434151718 /nfs/dbraw/zinc/15/17/18/434151718.db2.gz PAGCXHZBVIKZFI-UHFFFAOYSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000340474879 434151723 /nfs/dbraw/zinc/15/17/23/434151723.db2.gz PAGCXHZBVIKZFI-UHFFFAOYSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000340474879 434151732 /nfs/dbraw/zinc/15/17/32/434151732.db2.gz PAGCXHZBVIKZFI-UHFFFAOYSA-N 3 2 317.521 3.359 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CC[NH2+][C@H]3CC)cc2[nH+]1 ZINC000353461474 434152706 /nfs/dbraw/zinc/15/27/06/434152706.db2.gz RELGXDHTEWDOEO-KBPBESRZSA-N 2 2 314.433 3.232 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422983878 434152892 /nfs/dbraw/zinc/15/28/92/434152892.db2.gz VNDVWXDGUBDELJ-YJBOKZPZSA-N 2 2 310.445 3.052 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000340475394 434153840 /nfs/dbraw/zinc/15/38/40/434153840.db2.gz QHNJORCQJGGTIO-CQSZACIVSA-N 2 2 308.441 3.193 20 0 DGADLP c1c[nH+]c([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)[nH]1 ZINC000363862064 434170134 /nfs/dbraw/zinc/17/01/34/434170134.db2.gz GKWKFTWLVPGHIL-SJLPKXTDSA-N 2 2 310.445 3.106 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000357776276 434171421 /nfs/dbraw/zinc/17/14/21/434171421.db2.gz BHZZBEGWGJRCAQ-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000340518959 434181303 /nfs/dbraw/zinc/18/13/03/434181303.db2.gz KHYOWFSHDLZYLB-DNVCBOLYSA-N 2 2 312.461 3.143 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cn[nH]c1)[N@H+]1CCc2ccccc2C1 ZINC000340518959 434181312 /nfs/dbraw/zinc/18/13/12/434181312.db2.gz KHYOWFSHDLZYLB-DNVCBOLYSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CCC(C[NH3+])CC1)[NH+](C)C ZINC000423059274 434197952 /nfs/dbraw/zinc/19/79/52/434197952.db2.gz LLAAOAMLSZRMRV-RMFNQSEZSA-N 3 2 303.494 3.093 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000450470227 434209055 /nfs/dbraw/zinc/20/90/55/434209055.db2.gz TZBRYANUVNOOLB-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@H+]1C ZINC000450470227 434209063 /nfs/dbraw/zinc/20/90/63/434209063.db2.gz TZBRYANUVNOOLB-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470227 434209074 /nfs/dbraw/zinc/20/90/74/434209074.db2.gz TZBRYANUVNOOLB-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470227 434209083 /nfs/dbraw/zinc/20/90/83/434209083.db2.gz TZBRYANUVNOOLB-WMLDXEAASA-N 2 2 306.425 3.203 20 0 DGADLP CC(C)(C)CCOc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423128252 434239935 /nfs/dbraw/zinc/23/99/35/434239935.db2.gz PZGXHGTWLRWNFH-SJPCQFCGSA-N 2 2 317.477 3.269 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000423152822 434252652 /nfs/dbraw/zinc/25/26/52/434252652.db2.gz MNCCVEVKLKVZDX-RTBURBONSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423165687 434256234 /nfs/dbraw/zinc/25/62/34/434256234.db2.gz QBTUYKRLSILDDL-LFVTVUPYSA-N 2 2 322.880 3.333 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379636737 434256323 /nfs/dbraw/zinc/25/63/23/434256323.db2.gz XUQHBMATIUYVFQ-GSEOLPGOSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636737 434256330 /nfs/dbraw/zinc/25/63/30/434256330.db2.gz XUQHBMATIUYVFQ-GSEOLPGOSA-N 3 2 315.505 3.147 20 0 DGADLP CCO[C@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C12CCC2 ZINC000515344823 294552857 /nfs/dbraw/zinc/55/28/57/294552857.db2.gz RRMHUBJSXPLDKV-CVEARBPZSA-N 2 2 312.417 3.086 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000340637556 434258127 /nfs/dbraw/zinc/25/81/27/434258127.db2.gz IFQFQBBXXBYYAJ-HUUCEWRRSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000340637556 434258136 /nfs/dbraw/zinc/25/81/36/434258136.db2.gz IFQFQBBXXBYYAJ-HUUCEWRRSA-N 2 2 306.425 3.072 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)c2ccccc21 ZINC000423165460 434258500 /nfs/dbraw/zinc/25/85/00/434258500.db2.gz XYYFTLPSQNVZNV-KBPBESRZSA-N 2 2 307.319 3.335 20 0 DGADLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)CC(C)C ZINC000346645817 434259095 /nfs/dbraw/zinc/25/90/95/434259095.db2.gz BPWIXTVYHFTFRG-INIZCTEOSA-N 2 2 304.482 3.831 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379626618 434261297 /nfs/dbraw/zinc/26/12/97/434261297.db2.gz MGALFJDFOOUFED-DNVCBOLYSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cncc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379626618 434261306 /nfs/dbraw/zinc/26/13/06/434261306.db2.gz MGALFJDFOOUFED-DNVCBOLYSA-N 2 2 313.420 3.363 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423169494 434261580 /nfs/dbraw/zinc/26/15/80/434261580.db2.gz WBBVDCZBDHHNDI-WZGPROSRSA-N 2 2 318.461 3.034 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423191245 434276381 /nfs/dbraw/zinc/27/63/81/434276381.db2.gz OUBNTBFKWBZHKX-RDJZCZTQSA-N 2 2 312.461 3.200 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c2nccn21 ZINC000295221781 434264983 /nfs/dbraw/zinc/26/49/83/434264983.db2.gz MWRTUIVPWAUONN-DOMZBBRYSA-N 2 2 311.364 3.004 20 0 DGADLP C[C@@H]([NH2+]Cc1ccsc1Br)c1c[nH+]ccc1N ZINC000423117089 434227684 /nfs/dbraw/zinc/22/76/84/434227684.db2.gz SXCLUDAIMURNHR-MRVPVSSYSA-N 2 2 312.236 3.169 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000450502603 434230975 /nfs/dbraw/zinc/23/09/75/434230975.db2.gz UWPPHZMTJSGYJZ-HNNXBMFYSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000450502603 434230984 /nfs/dbraw/zinc/23/09/84/434230984.db2.gz UWPPHZMTJSGYJZ-HNNXBMFYSA-N 2 2 318.804 3.397 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000353564705 434234607 /nfs/dbraw/zinc/23/46/07/434234607.db2.gz DTIKVPANAISGNS-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000353564705 434234616 /nfs/dbraw/zinc/23/46/16/434234616.db2.gz DTIKVPANAISGNS-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP COc1ccc(CC[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000353564614 434235759 /nfs/dbraw/zinc/23/57/59/434235759.db2.gz DFGOTQZFWXBANO-UHFFFAOYSA-N 2 2 316.445 3.285 20 0 DGADLP COc1ccc(CC[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000353564614 434235761 /nfs/dbraw/zinc/23/57/61/434235761.db2.gz DFGOTQZFWXBANO-UHFFFAOYSA-N 2 2 316.445 3.285 20 0 DGADLP COc1ccc(CC[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000353564614 434235768 /nfs/dbraw/zinc/23/57/68/434235768.db2.gz DFGOTQZFWXBANO-UHFFFAOYSA-N 2 2 316.445 3.285 20 0 DGADLP COc1ccc(CC[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000353564614 434235775 /nfs/dbraw/zinc/23/57/75/434235775.db2.gz DFGOTQZFWXBANO-UHFFFAOYSA-N 2 2 316.445 3.285 20 0 DGADLP COC[C@H]([NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009264 434282040 /nfs/dbraw/zinc/28/20/40/434282040.db2.gz VEJYWZSIBKBCOW-VQTJNVASSA-N 2 2 316.489 3.084 20 0 DGADLP COC[C@H]([NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009264 434282048 /nfs/dbraw/zinc/28/20/48/434282048.db2.gz VEJYWZSIBKBCOW-VQTJNVASSA-N 2 2 316.489 3.084 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)cc1OC ZINC000358005530 434282729 /nfs/dbraw/zinc/28/27/29/434282729.db2.gz NPWMUULFZYHGLQ-IJEWVQPXSA-N 2 2 306.450 3.085 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)cc1OC ZINC000358005530 434282738 /nfs/dbraw/zinc/28/27/38/434282738.db2.gz NPWMUULFZYHGLQ-IJEWVQPXSA-N 2 2 306.450 3.085 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009253 434283097 /nfs/dbraw/zinc/28/30/97/434283097.db2.gz VEIKWJBLHGREBF-LPHOPBHVSA-N 2 2 304.478 3.084 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009253 434283102 /nfs/dbraw/zinc/28/31/02/434283102.db2.gz VEIKWJBLHGREBF-LPHOPBHVSA-N 2 2 304.478 3.084 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)C1 ZINC000423206222 434283900 /nfs/dbraw/zinc/28/39/00/434283900.db2.gz BOEWFTZSELMZBO-MAUKXSAKSA-N 2 2 317.477 3.204 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)C1 ZINC000423206222 434283910 /nfs/dbraw/zinc/28/39/10/434283910.db2.gz BOEWFTZSELMZBO-MAUKXSAKSA-N 2 2 317.477 3.204 20 0 DGADLP Cc1cc(NCc2ccccc2Cn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000348188891 434284318 /nfs/dbraw/zinc/28/43/18/434284318.db2.gz UXKXLERYSNOLMX-UHFFFAOYSA-N 2 2 321.428 3.765 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346037 434333377 /nfs/dbraw/zinc/33/33/77/434333377.db2.gz MDRGRUZODVIXCQ-SAKMYQHLSA-N 2 2 302.462 3.053 20 0 DGADLP CC[C@@H](COC)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009970 434288253 /nfs/dbraw/zinc/28/82/53/434288253.db2.gz WZURPASXRITXDA-RBUKOAKNSA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@@H](COC)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009970 434288258 /nfs/dbraw/zinc/28/82/58/434288258.db2.gz WZURPASXRITXDA-RBUKOAKNSA-N 2 2 304.478 3.084 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346037 434333388 /nfs/dbraw/zinc/33/33/88/434333388.db2.gz MDRGRUZODVIXCQ-SAKMYQHLSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000348260954 434289514 /nfs/dbraw/zinc/28/95/14/434289514.db2.gz FPCAQVJUXSEJKR-TVFCKZIOSA-N 2 2 305.466 3.361 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000348260954 434289521 /nfs/dbraw/zinc/28/95/21/434289521.db2.gz FPCAQVJUXSEJKR-TVFCKZIOSA-N 2 2 305.466 3.361 20 0 DGADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000353630083 434290809 /nfs/dbraw/zinc/29/08/09/434290809.db2.gz XMUZUQYGIDVDKJ-MOPGFXCFSA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000353630083 434290816 /nfs/dbraw/zinc/29/08/16/434290816.db2.gz XMUZUQYGIDVDKJ-MOPGFXCFSA-N 2 2 317.477 3.044 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)ccc1OC ZINC000340679907 434291101 /nfs/dbraw/zinc/29/11/01/434291101.db2.gz WQNTWDWTTKVJSK-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)ccc1OC ZINC000340679907 434291110 /nfs/dbraw/zinc/29/11/10/434291110.db2.gz WQNTWDWTTKVJSK-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1F ZINC000423228662 434298788 /nfs/dbraw/zinc/29/87/88/434298788.db2.gz DOLYGFALNINUMV-KRWDZBQOSA-N 2 2 314.408 3.194 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc2c(c1)CCC2 ZINC000423233118 434299298 /nfs/dbraw/zinc/29/92/98/434299298.db2.gz NYYCFWHGKNSIBW-OAHLLOKOSA-N 2 2 322.456 3.153 20 0 DGADLP CC(C)Sc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000358036127 434300262 /nfs/dbraw/zinc/30/02/62/434300262.db2.gz CATDXVOHLPXFBM-UHFFFAOYSA-N 2 2 322.518 3.076 20 0 DGADLP CC(C)Sc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000358036127 434300267 /nfs/dbraw/zinc/30/02/67/434300267.db2.gz CATDXVOHLPXFBM-UHFFFAOYSA-N 2 2 322.518 3.076 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000385759945 434302678 /nfs/dbraw/zinc/30/26/78/434302678.db2.gz SFIOKGFXGGMXRL-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000385759945 434302699 /nfs/dbraw/zinc/30/26/99/434302699.db2.gz SFIOKGFXGGMXRL-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650688 434303884 /nfs/dbraw/zinc/30/38/84/434303884.db2.gz XKTXADYNHKJPOT-OAHLLOKOSA-N 2 2 320.868 3.294 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650688 434303893 /nfs/dbraw/zinc/30/38/93/434303893.db2.gz XKTXADYNHKJPOT-OAHLLOKOSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650688 434303902 /nfs/dbraw/zinc/30/39/02/434303902.db2.gz XKTXADYNHKJPOT-OAHLLOKOSA-N 2 2 320.868 3.294 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc2ccc(Cl)cn12 ZINC000353650688 434303908 /nfs/dbraw/zinc/30/39/08/434303908.db2.gz XKTXADYNHKJPOT-OAHLLOKOSA-N 2 2 320.868 3.294 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423238705 434305970 /nfs/dbraw/zinc/30/59/70/434305970.db2.gz ASFLRKGOMSSZIE-YOEHRIQHSA-N 2 2 314.429 3.363 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245841 434308114 /nfs/dbraw/zinc/30/81/14/434308114.db2.gz YUCDCPHOWJYFSD-CJNGLKHVSA-N 2 2 315.486 3.445 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423249007 434308301 /nfs/dbraw/zinc/30/83/01/434308301.db2.gz SMVIUQSAOGUIKT-BBRMVZONSA-N 2 2 300.402 3.054 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000423245157 434309400 /nfs/dbraw/zinc/30/94/00/434309400.db2.gz YEYOLOSKOZLWPK-UONOGXRCSA-N 2 2 315.230 3.381 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423248948 434310733 /nfs/dbraw/zinc/31/07/33/434310733.db2.gz SFNWQLZTDAEJJJ-ZIAGYGMSSA-N 2 2 301.459 3.373 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000386819602 434311781 /nfs/dbraw/zinc/31/17/81/434311781.db2.gz FYLCOJKJVKZWCB-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000386819602 434311793 /nfs/dbraw/zinc/31/17/93/434311793.db2.gz FYLCOJKJVKZWCB-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423249815 434313775 /nfs/dbraw/zinc/31/37/75/434313775.db2.gz UFKRVCLVKIKLNN-DNVCBOLYSA-N 2 2 314.429 3.062 20 0 DGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423254338 434314769 /nfs/dbraw/zinc/31/47/69/434314769.db2.gz ZYXYFEGMZNLNGE-MAUKXSAKSA-N 2 2 319.493 3.046 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCCOC2)CCC1 ZINC000386962883 434318672 /nfs/dbraw/zinc/31/86/72/434318672.db2.gz ZLFUDNNLLFGPDS-GOSISDBHSA-N 2 2 302.462 3.057 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCCOC2)CCC1 ZINC000386962883 434318679 /nfs/dbraw/zinc/31/86/79/434318679.db2.gz ZLFUDNNLLFGPDS-GOSISDBHSA-N 2 2 302.462 3.057 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423258649 434318913 /nfs/dbraw/zinc/31/89/13/434318913.db2.gz CFXCZCDBOOBIBQ-CXAGYDPISA-N 2 2 306.450 3.262 20 0 DGADLP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000353662680 434318980 /nfs/dbraw/zinc/31/89/80/434318980.db2.gz ZMFLMQSETIGQGM-MRXNPFEDSA-N 2 2 300.377 3.436 20 0 DGADLP CCc1cccc(F)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000353662680 434318989 /nfs/dbraw/zinc/31/89/89/434318989.db2.gz ZMFLMQSETIGQGM-MRXNPFEDSA-N 2 2 300.377 3.436 20 0 DGADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259157 434319170 /nfs/dbraw/zinc/31/91/70/434319170.db2.gz DCJYLXFUTSHPNR-UXPWSPDFSA-N 2 2 315.505 3.004 20 0 DGADLP COC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000423265715 434322437 /nfs/dbraw/zinc/32/24/37/434322437.db2.gz RGBPYNUTBNAHEF-LSDHHAIUSA-N 2 2 318.383 3.356 20 0 DGADLP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358085114 434322620 /nfs/dbraw/zinc/32/26/20/434322620.db2.gz STARGCFBWGYITQ-OAHLLOKOSA-N 2 2 315.486 3.328 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000423269499 434327818 /nfs/dbraw/zinc/32/78/18/434327818.db2.gz GZFLNUQAMXJWCG-UGSOOPFHSA-N 2 2 301.409 3.064 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ncc(C)cn1 ZINC000340728891 434328760 /nfs/dbraw/zinc/32/87/60/434328760.db2.gz XBMMMSRWRJQVKX-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ncc(C)cn1 ZINC000340728891 434328764 /nfs/dbraw/zinc/32/87/64/434328764.db2.gz XBMMMSRWRJQVKX-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423272883 434329925 /nfs/dbraw/zinc/32/99/25/434329925.db2.gz KEXVFEGGNLTJBN-VXGBXAGGSA-N 2 2 307.438 3.455 20 0 DGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584016 434362565 /nfs/dbraw/zinc/36/25/65/434362565.db2.gz QUQHVFBHZGEPLO-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584016 434362574 /nfs/dbraw/zinc/36/25/74/434362574.db2.gz QUQHVFBHZGEPLO-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000417352067 434363741 /nfs/dbraw/zinc/36/37/41/434363741.db2.gz FFLPODLPSWWQID-GFCCVEGCSA-N 2 2 316.367 3.373 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc3c(c1)OCO3)CCC2 ZINC000366229968 434364425 /nfs/dbraw/zinc/36/44/25/434364425.db2.gz KBNGSCGECNSYQK-HIFRSBDPSA-N 2 2 313.401 3.148 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Br)cc1F ZINC000423341264 434369610 /nfs/dbraw/zinc/36/96/10/434369610.db2.gz XYIVXXGHHPOUHS-VIFPVBQESA-N 2 2 301.203 3.120 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000517932165 294698300 /nfs/dbraw/zinc/69/83/00/294698300.db2.gz FTIAODWKJOIHKC-DZGCQCFKSA-N 2 2 312.417 3.231 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348522708 434372724 /nfs/dbraw/zinc/37/27/24/434372724.db2.gz ZDSBVJFKHVNCRM-CVEARBPZSA-N 2 2 321.371 3.431 20 0 DGADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000423373316 434389017 /nfs/dbraw/zinc/38/90/17/434389017.db2.gz RVYFTSOOVPANQO-MEDUHNTESA-N 2 2 312.417 3.157 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423372579 434389379 /nfs/dbraw/zinc/38/93/79/434389379.db2.gz RDJMVPUIDGIIIP-MWODSPESSA-N 2 2 315.280 3.169 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Br ZINC000423376837 434390380 /nfs/dbraw/zinc/39/03/80/434390380.db2.gz LILIOKSAFHCDTN-CKYFFXLPSA-N 2 2 315.230 3.379 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c(C)c1OC ZINC000353685377 434337082 /nfs/dbraw/zinc/33/70/82/434337082.db2.gz VHOUXZMDOBLOLQ-JLJPHGGASA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1OC ZINC000353685377 434337091 /nfs/dbraw/zinc/33/70/91/434337091.db2.gz VHOUXZMDOBLOLQ-JLJPHGGASA-N 2 2 320.477 3.016 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423282020 434339285 /nfs/dbraw/zinc/33/92/85/434339285.db2.gz VRFYRHKAVCESPA-UAFMIMERSA-N 3 2 315.505 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423282020 434339295 /nfs/dbraw/zinc/33/92/95/434339295.db2.gz VRFYRHKAVCESPA-UAFMIMERSA-N 3 2 315.505 3.003 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000423287007 434339677 /nfs/dbraw/zinc/33/96/77/434339677.db2.gz JVXBXQUOWPRGGC-AWEZNQCLSA-N 2 2 315.465 3.052 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423280753 434340007 /nfs/dbraw/zinc/34/00/07/434340007.db2.gz AACVHPHSWYUELT-LDLYASANSA-N 3 2 315.505 3.289 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423280753 434340013 /nfs/dbraw/zinc/34/00/13/434340013.db2.gz AACVHPHSWYUELT-LDLYASANSA-N 3 2 315.505 3.289 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423282022 434341295 /nfs/dbraw/zinc/34/12/95/434341295.db2.gz VRFYRHKAVCESPA-WTGUMLROSA-N 3 2 315.505 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423282022 434341305 /nfs/dbraw/zinc/34/13/05/434341305.db2.gz VRFYRHKAVCESPA-WTGUMLROSA-N 3 2 315.505 3.003 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000450689424 434342967 /nfs/dbraw/zinc/34/29/67/434342967.db2.gz XWWWOLCANJKRLL-RYUDHWBXSA-N 2 2 313.430 3.444 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC([NH3+])(CC)CC)CCC2 ZINC000423287946 434343609 /nfs/dbraw/zinc/34/36/09/434343609.db2.gz PPDDTCNFWJZJSM-CYBMUJFWSA-N 2 2 322.449 3.249 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423288780 434345899 /nfs/dbraw/zinc/34/58/99/434345899.db2.gz UZHLUKOPXMQZHO-AEFFLSMTSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288780 434345912 /nfs/dbraw/zinc/34/59/12/434345912.db2.gz UZHLUKOPXMQZHO-AEFFLSMTSA-N 3 2 303.494 3.004 20 0 DGADLP COc1ccc([C@H]([NH2+]CC(C)(C)[NH3+])c2ccc(F)cc2)cc1 ZINC000423289424 434345981 /nfs/dbraw/zinc/34/59/81/434345981.db2.gz XFDCZNIXBJWOMD-QGZVFWFLSA-N 2 2 302.393 3.251 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423288662 434346286 /nfs/dbraw/zinc/34/62/86/434346286.db2.gz UEFRWKOAFYZEQI-SJLPKXTDSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423288662 434346293 /nfs/dbraw/zinc/34/62/93/434346293.db2.gz UEFRWKOAFYZEQI-SJLPKXTDSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423293774 434346979 /nfs/dbraw/zinc/34/69/79/434346979.db2.gz ASCVCLWBOKHNHM-QXAKKESOSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293774 434346986 /nfs/dbraw/zinc/34/69/86/434346986.db2.gz ASCVCLWBOKHNHM-QXAKKESOSA-N 3 2 303.494 3.004 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000358144070 434349891 /nfs/dbraw/zinc/34/98/91/434349891.db2.gz VLUHYXNZGPSICI-QGZVFWFLSA-N 2 2 309.344 3.235 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423300175 434352229 /nfs/dbraw/zinc/35/22/29/434352229.db2.gz RAVINNBVOQENSD-CRAIPNDOSA-N 2 2 300.450 3.100 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000287401080 434353951 /nfs/dbraw/zinc/35/39/51/434353951.db2.gz DOMBFPRIXPASQW-INIZCTEOSA-N 2 2 312.417 3.123 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423306620 434354753 /nfs/dbraw/zinc/35/47/53/434354753.db2.gz FECRTDJZANUCML-AWEZNQCLSA-N 2 2 302.340 3.162 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423306621 434356473 /nfs/dbraw/zinc/35/64/73/434356473.db2.gz FECRTDJZANUCML-CQSZACIVSA-N 2 2 302.340 3.162 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423318502 434357338 /nfs/dbraw/zinc/35/73/38/434357338.db2.gz BUTMDQWEULWDDS-NVXWUHKLSA-N 2 2 310.869 3.192 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000423322587 434358690 /nfs/dbraw/zinc/35/86/90/434358690.db2.gz IXOHWBDFDZYTGG-WBMJQRKESA-N 2 2 319.246 3.475 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390548431 434359896 /nfs/dbraw/zinc/35/98/96/434359896.db2.gz AGNWIVMNNSWMFN-IPMKNSEASA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390548431 434359909 /nfs/dbraw/zinc/35/99/09/434359909.db2.gz AGNWIVMNNSWMFN-IPMKNSEASA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000423387108 434395901 /nfs/dbraw/zinc/39/59/01/434395901.db2.gz HNIBMGDUZPCUAZ-BLLLJJGKSA-N 2 2 319.246 3.475 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749230 434397272 /nfs/dbraw/zinc/39/72/72/434397272.db2.gz VDULXAZEVXTDQC-LPHOPBHVSA-N 3 2 312.461 3.177 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749230 434397280 /nfs/dbraw/zinc/39/72/80/434397280.db2.gz VDULXAZEVXTDQC-LPHOPBHVSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749230 434397287 /nfs/dbraw/zinc/39/72/87/434397287.db2.gz VDULXAZEVXTDQC-LPHOPBHVSA-N 3 2 312.461 3.177 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000353749230 434397290 /nfs/dbraw/zinc/39/72/90/434397290.db2.gz VDULXAZEVXTDQC-LPHOPBHVSA-N 3 2 312.461 3.177 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749208 434398689 /nfs/dbraw/zinc/39/86/89/434398689.db2.gz UYYKIKUESKTTNO-UKRRQHHQSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749208 434398698 /nfs/dbraw/zinc/39/86/98/434398698.db2.gz UYYKIKUESKTTNO-UKRRQHHQSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749208 434398704 /nfs/dbraw/zinc/39/87/04/434398704.db2.gz UYYKIKUESKTTNO-UKRRQHHQSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@H]1C ZINC000353749208 434398708 /nfs/dbraw/zinc/39/87/08/434398708.db2.gz UYYKIKUESKTTNO-UKRRQHHQSA-N 2 2 320.868 3.292 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cccn2)cc1 ZINC000423392828 434399775 /nfs/dbraw/zinc/39/97/75/434399775.db2.gz QSGQIQQVKAIFDF-QAPCUYQASA-N 2 2 312.461 3.301 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1occc1C(=O)OC ZINC000450769358 434400729 /nfs/dbraw/zinc/40/07/29/434400729.db2.gz XYOCXLYSKHNDEV-ZBFHGGJFSA-N 2 2 322.449 3.056 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1occc1C(=O)OC ZINC000450769354 434400761 /nfs/dbraw/zinc/40/07/61/434400761.db2.gz XYOCXLYSKHNDEV-GOEBONIOSA-N 2 2 322.449 3.056 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccnn1-c1ccccc1 ZINC000423393825 434403185 /nfs/dbraw/zinc/40/31/85/434403185.db2.gz RIPYOFMEDVRKGO-CRAIPNDOSA-N 2 2 312.461 3.301 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423394291 434403323 /nfs/dbraw/zinc/40/33/23/434403323.db2.gz RYMANCHVYKOFAI-MAUKXSAKSA-N 3 2 312.461 3.301 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423401450 434404561 /nfs/dbraw/zinc/40/45/61/434404561.db2.gz XQEHHLBHDMVOOR-YJBOKZPZSA-N 2 2 320.477 3.141 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423400783 434407718 /nfs/dbraw/zinc/40/77/18/434407718.db2.gz XDPNZUFURRRXHE-KBRIMQKVSA-N 2 2 310.869 3.018 20 0 DGADLP COC[C@]1(C[NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CCC[NH2+]1 ZINC000423415792 434409999 /nfs/dbraw/zinc/40/99/99/434409999.db2.gz PLJZPOKXVAHHJP-CEXWTWQISA-N 2 2 302.462 3.229 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)CCC[NH2+]1 ZINC000423415613 434410022 /nfs/dbraw/zinc/41/00/22/434410022.db2.gz DWBWICBHPXIFMF-HNAYVOBHSA-N 2 2 314.429 3.366 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000450790629 434412115 /nfs/dbraw/zinc/41/21/15/434412115.db2.gz ZBGPVXANIJTNBD-GOSISDBHSA-N 2 2 323.440 3.412 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000450790629 434412122 /nfs/dbraw/zinc/41/21/22/434412122.db2.gz ZBGPVXANIJTNBD-GOSISDBHSA-N 2 2 323.440 3.412 20 0 DGADLP CC1(C)CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000395202235 434415561 /nfs/dbraw/zinc/41/55/61/434415561.db2.gz GVPODRYKVAMRLZ-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000395202235 434415569 /nfs/dbraw/zinc/41/55/69/434415569.db2.gz GVPODRYKVAMRLZ-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)CCC[NH2+]1 ZINC000423418794 434417256 /nfs/dbraw/zinc/41/72/56/434417256.db2.gz IEVARMOEUKGFMR-ABAIWWIYSA-N 2 2 317.260 3.413 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)sc2c1 ZINC000353771226 434418901 /nfs/dbraw/zinc/41/89/01/434418901.db2.gz AWEAYBWFXJZNFF-STQMWFEESA-N 2 2 319.474 3.267 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896749 434424388 /nfs/dbraw/zinc/42/43/88/434424388.db2.gz MRBHXNWWADDETK-WMZOPIPTSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896749 434424396 /nfs/dbraw/zinc/42/43/96/434424396.db2.gz MRBHXNWWADDETK-WMZOPIPTSA-N 2 2 310.445 3.039 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000353779543 434425272 /nfs/dbraw/zinc/42/52/72/434425272.db2.gz IATDOOJFCYXSDN-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000353779543 434425283 /nfs/dbraw/zinc/42/52/83/434425283.db2.gz IATDOOJFCYXSDN-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CCC[NH2+]1 ZINC000423442512 434426064 /nfs/dbraw/zinc/42/60/64/434426064.db2.gz WRWXZDLHNZIOAQ-NHYWBVRUSA-N 2 2 317.260 3.413 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000348640780 434428379 /nfs/dbraw/zinc/42/83/79/434428379.db2.gz JSSBHIXSLUEMCI-JFIYKMOQSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000348640780 434428390 /nfs/dbraw/zinc/42/83/90/434428390.db2.gz JSSBHIXSLUEMCI-JFIYKMOQSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000450832286 434429876 /nfs/dbraw/zinc/42/98/76/434429876.db2.gz UNJUDBUNFFSBJZ-HLLBOEOZSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000450832286 434429889 /nfs/dbraw/zinc/42/98/89/434429889.db2.gz UNJUDBUNFFSBJZ-HLLBOEOZSA-N 2 2 323.431 3.317 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532878 434442008 /nfs/dbraw/zinc/44/20/08/434442008.db2.gz FRZBZVWUCHEARC-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532878 434442016 /nfs/dbraw/zinc/44/20/16/434442016.db2.gz FRZBZVWUCHEARC-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532878 434442020 /nfs/dbraw/zinc/44/20/20/434442020.db2.gz FRZBZVWUCHEARC-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532878 434442029 /nfs/dbraw/zinc/44/20/29/434442029.db2.gz FRZBZVWUCHEARC-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423498986 434458869 /nfs/dbraw/zinc/45/88/69/434458869.db2.gz IWINDMCBHXSYEJ-RDTXWAMCSA-N 2 2 300.450 3.377 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000423498796 434460694 /nfs/dbraw/zinc/46/06/94/434460694.db2.gz CELPPVUKCYJKKX-QMTHXVAHSA-N 2 2 303.233 3.023 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423507309 434464155 /nfs/dbraw/zinc/46/41/55/434464155.db2.gz IHUJMQKJBSSZAD-IPMKNSEASA-N 2 2 308.425 3.028 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ncc(Br)s1 ZINC000423512160 434467125 /nfs/dbraw/zinc/46/71/25/434467125.db2.gz UPAAYVGWPFDLCS-PSASIEDQSA-N 2 2 318.284 3.074 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423505109 434467412 /nfs/dbraw/zinc/46/74/12/434467412.db2.gz HFHMATZJPMJNIL-UIAACRFSSA-N 2 2 324.472 3.404 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000353832390 434468450 /nfs/dbraw/zinc/46/84/50/434468450.db2.gz QIYLWFSCHZRJHA-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000353832390 434468459 /nfs/dbraw/zinc/46/84/59/434468459.db2.gz QIYLWFSCHZRJHA-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000353832390 434468466 /nfs/dbraw/zinc/46/84/66/434468466.db2.gz QIYLWFSCHZRJHA-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000353832390 434468477 /nfs/dbraw/zinc/46/84/77/434468477.db2.gz QIYLWFSCHZRJHA-XLIONFOSSA-N 2 2 324.472 3.097 20 0 DGADLP c1ccc(CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423516821 434469337 /nfs/dbraw/zinc/46/93/37/434469337.db2.gz GYXLKTHPALOJGG-RTWAWAEBSA-N 2 2 324.468 3.329 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995733 434469396 /nfs/dbraw/zinc/46/93/96/434469396.db2.gz DTOQGLXVFBIRLF-PKOBYXMFSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995733 434469404 /nfs/dbraw/zinc/46/94/04/434469404.db2.gz DTOQGLXVFBIRLF-PKOBYXMFSA-N 3 2 315.505 3.143 20 0 DGADLP CC[N@H+]1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@H]1c1ncc[nH]1 ZINC000360004143 434471709 /nfs/dbraw/zinc/47/17/09/434471709.db2.gz BKMFEFWMOOUOJQ-SFHVURJKSA-N 2 2 321.428 3.150 20 0 DGADLP CCN1CCN(c2cc[nH+]c3ccc(C)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000360004143 434471716 /nfs/dbraw/zinc/47/17/16/434471716.db2.gz BKMFEFWMOOUOJQ-SFHVURJKSA-N 2 2 321.428 3.150 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)c(Cl)cc1Cl ZINC000423522039 434475346 /nfs/dbraw/zinc/47/53/46/434475346.db2.gz REMXNYMAZNZTKR-UWVGGRQHSA-N 2 2 321.223 3.162 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000366665772 434478370 /nfs/dbraw/zinc/47/83/70/434478370.db2.gz KGIMUUATEVATNJ-ZPUIDXCVSA-N 2 2 306.400 3.426 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000366665772 434478378 /nfs/dbraw/zinc/47/83/78/434478378.db2.gz KGIMUUATEVATNJ-ZPUIDXCVSA-N 2 2 306.400 3.426 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000360030370 434481630 /nfs/dbraw/zinc/48/16/30/434481630.db2.gz WGUTUEAQIKPORW-MOPGFXCFSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000360030370 434481638 /nfs/dbraw/zinc/48/16/38/434481638.db2.gz WGUTUEAQIKPORW-MOPGFXCFSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1ccc2nc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cn2c1 ZINC000341011669 434484983 /nfs/dbraw/zinc/48/49/83/434484983.db2.gz GFTGNVYUDQYINS-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Br)s1 ZINC000423559761 434489693 /nfs/dbraw/zinc/48/96/93/434489693.db2.gz OYYCFVXDJKCZEW-UWVGGRQHSA-N 2 2 303.269 3.303 20 0 DGADLP Clc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423579719 434494832 /nfs/dbraw/zinc/49/48/32/434494832.db2.gz WQAYYJNUVORBBX-MSOLQXFVSA-N 2 2 316.832 3.007 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000348703548 434450546 /nfs/dbraw/zinc/45/05/46/434450546.db2.gz QSYCCLMBRKVFRP-GTAWCEEGSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000348703548 434450557 /nfs/dbraw/zinc/45/05/57/434450557.db2.gz QSYCCLMBRKVFRP-GTAWCEEGSA-N 2 2 316.489 3.038 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398138244 434456936 /nfs/dbraw/zinc/45/69/36/434456936.db2.gz LOGAQNFZAICMIH-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398138244 434456948 /nfs/dbraw/zinc/45/69/48/434456948.db2.gz LOGAQNFZAICMIH-RHSMWYFYSA-N 2 2 315.486 3.452 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)[C@H]1CC[NH3+] ZINC000404382366 434512584 /nfs/dbraw/zinc/51/25/84/434512584.db2.gz UTNWHMGEPSJNLE-OCCSQVGLSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)[C@H]1CC[NH3+] ZINC000404382366 434512595 /nfs/dbraw/zinc/51/25/95/434512595.db2.gz UTNWHMGEPSJNLE-OCCSQVGLSA-N 2 2 305.447 3.352 20 0 DGADLP COC1(C[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CCC1 ZINC000348833325 434516614 /nfs/dbraw/zinc/51/66/14/434516614.db2.gz MISSOSFBWBBLRH-CQSZACIVSA-N 2 2 300.406 3.086 20 0 DGADLP CCn1c[nH+]cc1CNc1cccc(C[NH+]2CCSCC2)c1 ZINC000417847585 434534485 /nfs/dbraw/zinc/53/44/85/434534485.db2.gz KCBHJUVEODEFAO-UHFFFAOYSA-N 2 2 316.474 3.064 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994281 434561616 /nfs/dbraw/zinc/56/16/16/434561616.db2.gz AJDAVUDFRRMBON-IRXDYDNUSA-N 2 2 316.424 3.102 20 0 DGADLP CCC[N@H+]1CCC[C@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353994281 434561623 /nfs/dbraw/zinc/56/16/23/434561623.db2.gz AJDAVUDFRRMBON-IRXDYDNUSA-N 2 2 316.424 3.102 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000527098603 295077630 /nfs/dbraw/zinc/07/76/30/295077630.db2.gz UQBDXSNNLZXNGY-HKUYNNGSSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000527098603 295077632 /nfs/dbraw/zinc/07/76/32/295077632.db2.gz UQBDXSNNLZXNGY-HKUYNNGSSA-N 2 2 304.478 3.159 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378091 434573450 /nfs/dbraw/zinc/57/34/50/434573450.db2.gz PYMZTGSPZUGNHM-CVEARBPZSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378091 434573454 /nfs/dbraw/zinc/57/34/54/434573454.db2.gz PYMZTGSPZUGNHM-CVEARBPZSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000459378091 434573459 /nfs/dbraw/zinc/57/34/59/434573459.db2.gz PYMZTGSPZUGNHM-CVEARBPZSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000459378091 434573463 /nfs/dbraw/zinc/57/34/63/434573463.db2.gz PYMZTGSPZUGNHM-CVEARBPZSA-N 2 2 324.900 3.123 20 0 DGADLP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952052 295155978 /nfs/dbraw/zinc/15/59/78/295155978.db2.gz STNNCHVLIBWFIT-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952052 295155980 /nfs/dbraw/zinc/15/59/80/295155980.db2.gz STNNCHVLIBWFIT-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000528056993 295171524 /nfs/dbraw/zinc/17/15/24/295171524.db2.gz GNZRNWKVLANKHM-QZTJIDSGSA-N 2 2 323.440 3.290 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422699835 295296586 /nfs/dbraw/zinc/29/65/86/295296586.db2.gz BHOAHEOUQKLVDF-MOPGFXCFSA-N 2 2 319.468 3.040 20 0 DGADLP COC1(C(F)(F)F)CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000418096259 434585838 /nfs/dbraw/zinc/58/58/38/434585838.db2.gz ICTOGPDZDOMMFD-UHFFFAOYSA-N 2 2 316.367 3.366 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000459480493 434587058 /nfs/dbraw/zinc/58/70/58/434587058.db2.gz ODLICWREUOJOQE-ZWKOTPCHSA-N 2 2 313.445 3.141 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000459480493 434587062 /nfs/dbraw/zinc/58/70/62/434587062.db2.gz ODLICWREUOJOQE-ZWKOTPCHSA-N 2 2 313.445 3.141 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C2 ZINC000425923648 295337619 /nfs/dbraw/zinc/33/76/19/295337619.db2.gz SPZIUQKINLXEOA-ICSRJNTNSA-N 2 2 324.468 3.445 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1SC ZINC000459530387 434595747 /nfs/dbraw/zinc/59/57/47/434595747.db2.gz MFNTVFNCZBVWEJ-WJNMYVKJSA-N 2 2 322.518 3.176 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000354145804 434640431 /nfs/dbraw/zinc/64/04/31/434640431.db2.gz HBGYUCDJKNXOEC-LRYGQEGESA-N 2 2 324.509 3.208 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC000439775271 434644233 /nfs/dbraw/zinc/64/42/33/434644233.db2.gz PHPNDJXBRHDSKP-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC000439775271 434644241 /nfs/dbraw/zinc/64/42/41/434644241.db2.gz PHPNDJXBRHDSKP-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2SCCc3ccccc32)[nH+]1 ZINC000354271212 434696784 /nfs/dbraw/zinc/69/67/84/434696784.db2.gz KRWILBNGCZRSIJ-KRWDZBQOSA-N 2 2 309.438 3.455 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn2cc(Cl)ccc2n1 ZINC000349373901 434697290 /nfs/dbraw/zinc/69/72/90/434697290.db2.gz XPFOJNPNMCFNFO-UHFFFAOYSA-N 2 2 320.868 3.296 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn2cc(Cl)ccc2n1 ZINC000349373901 434697298 /nfs/dbraw/zinc/69/72/98/434697298.db2.gz XPFOJNPNMCFNFO-UHFFFAOYSA-N 2 2 320.868 3.296 20 0 DGADLP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354159725 434646558 /nfs/dbraw/zinc/64/65/58/434646558.db2.gz VSOTWBBFHMQEBH-NVXWUHKLSA-N 2 2 317.408 3.306 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166441 434650792 /nfs/dbraw/zinc/65/07/92/434650792.db2.gz LCROEYAPHIZXLW-KDOFPFPSSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166441 434650796 /nfs/dbraw/zinc/65/07/96/434650796.db2.gz LCROEYAPHIZXLW-KDOFPFPSSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)sc2C1 ZINC000354166441 434650799 /nfs/dbraw/zinc/65/07/99/434650799.db2.gz LCROEYAPHIZXLW-KDOFPFPSSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)sc2C1 ZINC000354166441 434650803 /nfs/dbraw/zinc/65/08/03/434650803.db2.gz LCROEYAPHIZXLW-KDOFPFPSSA-N 2 2 319.518 3.186 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c[nH+]1 ZINC000354187521 434663024 /nfs/dbraw/zinc/66/30/24/434663024.db2.gz HQOOSNIUEUIKKI-GOSISDBHSA-N 2 2 323.484 3.359 20 0 DGADLP COc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1OC ZINC000354206511 434668563 /nfs/dbraw/zinc/66/85/63/434668563.db2.gz CVKBBIYIXNDJHQ-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371340354 434673586 /nfs/dbraw/zinc/67/35/86/434673586.db2.gz DKGQRQDTKXEUES-UAFMIMERSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000371340354 434673592 /nfs/dbraw/zinc/67/35/92/434673592.db2.gz DKGQRQDTKXEUES-UAFMIMERSA-N 2 2 321.553 3.161 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220305 434675020 /nfs/dbraw/zinc/67/50/20/434675020.db2.gz FCDSXPHWMKVZMH-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220305 434675025 /nfs/dbraw/zinc/67/50/25/434675025.db2.gz FCDSXPHWMKVZMH-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220305 434675045 /nfs/dbraw/zinc/67/50/45/434675045.db2.gz FCDSXPHWMKVZMH-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220305 434675050 /nfs/dbraw/zinc/67/50/50/434675050.db2.gz FCDSXPHWMKVZMH-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP c1csc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000424286842 434678938 /nfs/dbraw/zinc/67/89/38/434678938.db2.gz WMQORWWCHCACBX-JKSUJKDBSA-N 2 2 324.453 3.228 20 0 DGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(-c2ccnn2C)c1 ZINC000349407564 434707114 /nfs/dbraw/zinc/70/71/14/434707114.db2.gz OFQZYYKUGIYPAC-UHFFFAOYSA-N 2 2 323.444 3.114 20 0 DGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(-c2ccnn2C)c1 ZINC000349407564 434707121 /nfs/dbraw/zinc/70/71/21/434707121.db2.gz OFQZYYKUGIYPAC-UHFFFAOYSA-N 2 2 323.444 3.114 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](CC)CCC[NH+]2CCCC2)s1 ZINC000349414497 434708983 /nfs/dbraw/zinc/70/89/83/434708983.db2.gz GIETZYJDOVNEHL-UHFFFAOYSA-N 2 2 324.538 3.297 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](CC)CCC[NH+]2CCCC2)s1 ZINC000349414497 434708990 /nfs/dbraw/zinc/70/89/90/434708990.db2.gz GIETZYJDOVNEHL-UHFFFAOYSA-N 2 2 324.538 3.297 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000349416744 434710404 /nfs/dbraw/zinc/71/04/04/434710404.db2.gz LNNDMGPNSGKDTD-OAHLLOKOSA-N 2 2 320.477 3.182 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000349416744 434710409 /nfs/dbraw/zinc/71/04/09/434710409.db2.gz LNNDMGPNSGKDTD-OAHLLOKOSA-N 2 2 320.477 3.182 20 0 DGADLP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000360863268 434714997 /nfs/dbraw/zinc/71/49/97/434714997.db2.gz AHGIBONGQZCDDH-KBXCAEBGSA-N 2 2 322.456 3.017 20 0 DGADLP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000360863268 434715003 /nfs/dbraw/zinc/71/50/03/434715003.db2.gz AHGIBONGQZCDDH-KBXCAEBGSA-N 2 2 322.456 3.017 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCCC1 ZINC000459777058 434715498 /nfs/dbraw/zinc/71/54/98/434715498.db2.gz ROKYEMJPUMNXJT-GOSISDBHSA-N 2 2 324.509 3.353 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000411284355 434755091 /nfs/dbraw/zinc/75/50/91/434755091.db2.gz OCLFOGJGCSGPET-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000411284355 434755094 /nfs/dbraw/zinc/75/50/94/434755094.db2.gz OCLFOGJGCSGPET-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000411284355 434755099 /nfs/dbraw/zinc/75/50/99/434755099.db2.gz OCLFOGJGCSGPET-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000411284355 434755102 /nfs/dbraw/zinc/75/51/02/434755102.db2.gz OCLFOGJGCSGPET-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOCC2CCC2)CC1 ZINC000419305245 434766672 /nfs/dbraw/zinc/76/66/72/434766672.db2.gz KWWAMABQRRVJDZ-UHFFFAOYSA-N 2 2 304.434 3.050 20 0 DGADLP COC(=O)C(C)(C)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411367769 434769160 /nfs/dbraw/zinc/76/91/60/434769160.db2.gz MKHSWVYDEFJYLK-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411367769 434769167 /nfs/dbraw/zinc/76/91/67/434769167.db2.gz MKHSWVYDEFJYLK-UHFFFAOYSA-N 2 2 318.461 3.056 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000361023973 434770259 /nfs/dbraw/zinc/77/02/59/434770259.db2.gz RBYQGPAXPYCQSO-QGZVFWFLSA-N 2 2 310.869 3.275 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000361023973 434770264 /nfs/dbraw/zinc/77/02/64/434770264.db2.gz RBYQGPAXPYCQSO-QGZVFWFLSA-N 2 2 310.869 3.275 20 0 DGADLP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361044529 434775929 /nfs/dbraw/zinc/77/59/29/434775929.db2.gz IUCUGBZHSPBLHO-HNNXBMFYSA-N 2 2 321.465 3.106 20 0 DGADLP Cc1nc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000361063079 434784135 /nfs/dbraw/zinc/78/41/35/434784135.db2.gz YBOMMJUXTVSOPF-CRAIPNDOSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1nc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000361063079 434784140 /nfs/dbraw/zinc/78/41/40/434784140.db2.gz YBOMMJUXTVSOPF-CRAIPNDOSA-N 2 2 310.445 3.274 20 0 DGADLP CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000361113000 434800046 /nfs/dbraw/zinc/80/00/46/434800046.db2.gz KCTPEXFFCDARKS-IRXDYDNUSA-N 2 2 320.477 3.475 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccncn2)CC1 ZINC000453072512 434791703 /nfs/dbraw/zinc/79/17/03/434791703.db2.gz YPVUEMNKTPNSKU-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000453080198 434795171 /nfs/dbraw/zinc/79/51/71/434795171.db2.gz DWWVRZKYTLDGLH-MOPGFXCFSA-N 2 2 314.477 3.109 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453121495 434807708 /nfs/dbraw/zinc/80/77/08/434807708.db2.gz XDPCZEXJLHQWDK-SFHVURJKSA-N 2 2 308.510 3.434 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361188537 434824197 /nfs/dbraw/zinc/82/41/97/434824197.db2.gz LICINZJRYSWQCM-KBXCAEBGSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361188537 434824205 /nfs/dbraw/zinc/82/42/05/434824205.db2.gz LICINZJRYSWQCM-KBXCAEBGSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000361188537 434824210 /nfs/dbraw/zinc/82/42/10/434824210.db2.gz LICINZJRYSWQCM-KBXCAEBGSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000361188537 434824215 /nfs/dbraw/zinc/82/42/15/434824215.db2.gz LICINZJRYSWQCM-KBXCAEBGSA-N 2 2 318.436 3.283 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000361190640 434826975 /nfs/dbraw/zinc/82/69/75/434826975.db2.gz ZJGKAZINIJXBRW-HNNXBMFYSA-N 2 2 310.388 3.251 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000361230399 434834836 /nfs/dbraw/zinc/83/48/36/434834836.db2.gz DVBXBUGZURMJJF-IRXDYDNUSA-N 2 2 312.885 3.329 20 0 DGADLP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000361230398 434835805 /nfs/dbraw/zinc/83/58/05/434835805.db2.gz DVBXBUGZURMJJF-IAGOWNOFSA-N 2 2 312.885 3.329 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000361232820 434836804 /nfs/dbraw/zinc/83/68/04/434836804.db2.gz PULXEMSWMYIIPN-KXBFYZLASA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453269441 434846181 /nfs/dbraw/zinc/84/61/81/434846181.db2.gz RHSDCXMJEWYVHB-PMACEKPBSA-N 2 2 318.505 3.080 20 0 DGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453269441 434846182 /nfs/dbraw/zinc/84/61/82/434846182.db2.gz RHSDCXMJEWYVHB-PMACEKPBSA-N 2 2 318.505 3.080 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000453269754 434846255 /nfs/dbraw/zinc/84/62/55/434846255.db2.gz RSSYNLPLPZMGGU-KDOFPFPSSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000453269754 434846257 /nfs/dbraw/zinc/84/62/57/434846257.db2.gz RSSYNLPLPZMGGU-KDOFPFPSSA-N 2 2 322.880 3.154 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694373 434847136 /nfs/dbraw/zinc/84/71/36/434847136.db2.gz NUGGTBDZUMHGTN-IEBWSBKVSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694373 434847139 /nfs/dbraw/zinc/84/71/39/434847139.db2.gz NUGGTBDZUMHGTN-IEBWSBKVSA-N 2 2 316.489 3.354 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)n1C ZINC000573221624 434884421 /nfs/dbraw/zinc/88/44/21/434884421.db2.gz KBJDZEGJDKTWHN-HNNXBMFYSA-N 2 2 303.381 3.260 20 0 DGADLP c1ccc(C[NH+]2CCC(Nc3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000573544743 434906057 /nfs/dbraw/zinc/90/60/57/434906057.db2.gz XIKKMBNWEVNJMD-UHFFFAOYSA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(C[NH+]2CCC(Nc3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000573544743 434906062 /nfs/dbraw/zinc/90/60/62/434906062.db2.gz XIKKMBNWEVNJMD-UHFFFAOYSA-N 2 2 323.444 3.127 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000637926996 434910239 /nfs/dbraw/zinc/91/02/39/434910239.db2.gz MDXXAVZHTOMRFL-UHFFFAOYSA-N 2 2 300.368 3.317 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(F)F)nc3)CC2)c1 ZINC000637952267 434916995 /nfs/dbraw/zinc/91/69/95/434916995.db2.gz SGDLSGJPXHJLBY-UHFFFAOYSA-N 2 2 318.371 3.045 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000573010692 434868220 /nfs/dbraw/zinc/86/82/20/434868220.db2.gz MGSDLGUQRLYIJA-FUHWJXTLSA-N 2 2 304.478 3.159 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000573010692 434868221 /nfs/dbraw/zinc/86/82/21/434868221.db2.gz MGSDLGUQRLYIJA-FUHWJXTLSA-N 2 2 304.478 3.159 20 0 DGADLP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)cc1O ZINC000638086952 434950160 /nfs/dbraw/zinc/95/01/60/434950160.db2.gz XZUGWUQSWSRUDG-UHFFFAOYSA-N 2 2 321.808 3.157 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(-c3ccncc3)c1)C2 ZINC000554981547 434955512 /nfs/dbraw/zinc/95/55/12/434955512.db2.gz CQKNULWWHRPTGK-QGZVFWFLSA-N 2 2 304.397 3.119 20 0 DGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cccc(-c3ccncc3)c1)CC2 ZINC000554981547 434955518 /nfs/dbraw/zinc/95/55/18/434955518.db2.gz CQKNULWWHRPTGK-QGZVFWFLSA-N 2 2 304.397 3.119 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638115782 434955911 /nfs/dbraw/zinc/95/59/11/434955911.db2.gz GLIOORMUHJGSSX-MFKMUULPSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638115782 434955915 /nfs/dbraw/zinc/95/59/15/434955915.db2.gz GLIOORMUHJGSSX-MFKMUULPSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115782 434955920 /nfs/dbraw/zinc/95/59/20/434955920.db2.gz GLIOORMUHJGSSX-MFKMUULPSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115782 434955924 /nfs/dbraw/zinc/95/59/24/434955924.db2.gz GLIOORMUHJGSSX-MFKMUULPSA-N 2 2 316.276 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000638122629 434958230 /nfs/dbraw/zinc/95/82/30/434958230.db2.gz NQIJSOJEFFGBSE-MOPGFXCFSA-N 2 2 324.472 3.078 20 0 DGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000638122629 434958231 /nfs/dbraw/zinc/95/82/31/434958231.db2.gz NQIJSOJEFFGBSE-MOPGFXCFSA-N 2 2 324.472 3.078 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638120546 434958315 /nfs/dbraw/zinc/95/83/15/434958315.db2.gz AHZHTPLYISPZCP-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000638120546 434958317 /nfs/dbraw/zinc/95/83/17/434958317.db2.gz AHZHTPLYISPZCP-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)[NH2+]CC)c1 ZINC000638127153 434960235 /nfs/dbraw/zinc/96/02/35/434960235.db2.gz GOQCFWWZWDFPSE-AWEZNQCLSA-N 2 2 314.433 3.287 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000638149039 434965169 /nfs/dbraw/zinc/96/51/69/434965169.db2.gz DQQDFCWCEPPODO-IAGOWNOFSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCC[C@@H]1CCO1 ZINC000638149039 434965174 /nfs/dbraw/zinc/96/51/74/434965174.db2.gz DQQDFCWCEPPODO-IAGOWNOFSA-N 2 2 313.445 3.378 20 0 DGADLP CC[N@@H+](Cc1ccns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638140016 434965234 /nfs/dbraw/zinc/96/52/34/434965234.db2.gz SROCZSLIGJXZJA-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[N@H+](Cc1ccns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638140016 434965236 /nfs/dbraw/zinc/96/52/36/434965236.db2.gz SROCZSLIGJXZJA-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1ccns1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638140016 434965240 /nfs/dbraw/zinc/96/52/40/434965240.db2.gz SROCZSLIGJXZJA-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1ccns1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638140016 434965244 /nfs/dbraw/zinc/96/52/44/434965244.db2.gz SROCZSLIGJXZJA-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000555295603 434967749 /nfs/dbraw/zinc/96/77/49/434967749.db2.gz FVEOEJLSFJSJND-UHFFFAOYSA-N 2 2 312.417 3.136 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638186494 434974832 /nfs/dbraw/zinc/97/48/32/434974832.db2.gz VFDUAYNECHBOOU-UKRRQHHQSA-N 2 2 309.404 3.202 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H](C)C3)CC2)c1 ZINC000462673107 434924441 /nfs/dbraw/zinc/92/44/41/434924441.db2.gz HMDCWFGRZSYWOX-OALUTQOASA-N 2 2 315.505 3.285 20 0 DGADLP CC[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)OC ZINC000638387297 435021173 /nfs/dbraw/zinc/02/11/73/435021173.db2.gz ZBTFRYXLUUNMOQ-SFHVURJKSA-N 2 2 308.441 3.195 20 0 DGADLP c1cn(Cc2ccc(NCc3scnc3C3CC3)[nH+]c2)c[nH+]1 ZINC000556809708 435026841 /nfs/dbraw/zinc/02/68/41/435026841.db2.gz ZVAVNGHROAOXBG-UHFFFAOYSA-N 2 2 311.414 3.272 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]Cc2cccc(F)c2N)[NH+](C)C)cc1 ZINC000638447054 435032235 /nfs/dbraw/zinc/03/22/35/435032235.db2.gz ASIRRBYBSUDBDN-QGZVFWFLSA-N 2 2 301.409 3.109 20 0 DGADLP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000638293225 434997961 /nfs/dbraw/zinc/99/79/61/434997961.db2.gz KQUJIJSNXLMQQZ-AWEZNQCLSA-N 2 2 314.433 3.153 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000638288438 434998675 /nfs/dbraw/zinc/99/86/75/434998675.db2.gz QILQPPYXCYQRMK-KVZIAJEVSA-N 2 2 304.478 3.256 20 0 DGADLP CO[C@@](C)(C[NH2+]CCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000638298443 435000424 /nfs/dbraw/zinc/00/04/24/435000424.db2.gz QRXAVQNAFQLWMP-SFHVURJKSA-N 2 2 301.434 3.140 20 0 DGADLP CCOC1CC(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)C1 ZINC000638297583 435000554 /nfs/dbraw/zinc/00/05/54/435000554.db2.gz IQWCWNGNKSJVAT-UHFFFAOYSA-N 2 2 301.434 3.140 20 0 DGADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000556238583 435001664 /nfs/dbraw/zinc/00/16/64/435001664.db2.gz AMMFFBDIZJEVJG-NSISKUIASA-N 2 2 318.505 3.210 20 0 DGADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000556238583 435001669 /nfs/dbraw/zinc/00/16/69/435001669.db2.gz AMMFFBDIZJEVJG-NSISKUIASA-N 2 2 318.505 3.210 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000464873817 435008637 /nfs/dbraw/zinc/00/86/37/435008637.db2.gz HYDBQCXVCJXLLF-SQNIBIBYSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)C1 ZINC000464873817 435008640 /nfs/dbraw/zinc/00/86/40/435008640.db2.gz HYDBQCXVCJXLLF-SQNIBIBYSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)C[C@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)[NH+](C)C ZINC000638349779 435009988 /nfs/dbraw/zinc/00/99/88/435009988.db2.gz VMFCFACXTUCALQ-PKOBYXMFSA-N 2 2 303.494 3.079 20 0 DGADLP CC(C)C[C@@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)[NH+](C)C ZINC000638349778 435010991 /nfs/dbraw/zinc/01/09/91/435010991.db2.gz VMFCFACXTUCALQ-MJGOQNOKSA-N 2 2 303.494 3.079 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]CCC1CCOCC1)c1ccccc1 ZINC000638701568 435074726 /nfs/dbraw/zinc/07/47/26/435074726.db2.gz WICNCFNDNNBMGX-SFHVURJKSA-N 2 2 313.445 3.110 20 0 DGADLP Nc1c(F)cccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638704534 435075222 /nfs/dbraw/zinc/07/52/22/435075222.db2.gz JOBPOWMNCIRBAN-QGZVFWFLSA-N 2 2 313.420 3.162 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424219 435091134 /nfs/dbraw/zinc/09/11/34/435091134.db2.gz YACBMOPDKILNAA-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424219 435091135 /nfs/dbraw/zinc/09/11/35/435091135.db2.gz YACBMOPDKILNAA-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424219 435091140 /nfs/dbraw/zinc/09/11/40/435091140.db2.gz YACBMOPDKILNAA-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3c2OC(C)(C)C3)C1 ZINC000558424219 435091142 /nfs/dbraw/zinc/09/11/42/435091142.db2.gz YACBMOPDKILNAA-SJLPKXTDSA-N 2 2 314.473 3.316 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400334 435086392 /nfs/dbraw/zinc/08/63/92/435086392.db2.gz MLOIBYRSFGVRCF-QDLOVBKTSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400334 435086398 /nfs/dbraw/zinc/08/63/98/435086398.db2.gz MLOIBYRSFGVRCF-QDLOVBKTSA-N 2 2 306.400 3.396 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCC[C@@H]2CCO2)c(C)c1 ZINC000638779657 435087841 /nfs/dbraw/zinc/08/78/41/435087841.db2.gz KUWVBORJJJHEST-IEBWSBKVSA-N 2 2 313.445 3.400 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000558419893 435089484 /nfs/dbraw/zinc/08/94/84/435089484.db2.gz WNZGITQDNLXYNE-ZDUSSCGKSA-N 2 2 320.868 3.047 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000558419893 435089486 /nfs/dbraw/zinc/08/94/86/435089486.db2.gz WNZGITQDNLXYNE-ZDUSSCGKSA-N 2 2 320.868 3.047 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CC1(F)F ZINC000638788458 435089687 /nfs/dbraw/zinc/08/96/87/435089687.db2.gz KBLSSLHCILOZOP-XEZPLFJOSA-N 2 2 309.404 3.240 20 0 DGADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000556883300 435035773 /nfs/dbraw/zinc/03/57/73/435035773.db2.gz BNEORNSZXWHFOW-XUVXKRRUSA-N 2 2 316.489 3.413 20 0 DGADLP CCC[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)OC ZINC000638788791 435090064 /nfs/dbraw/zinc/09/00/64/435090064.db2.gz VZASSHMQFAQVNU-QAPCUYQASA-N 2 2 305.466 3.012 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc3c[nH]nc31)C2 ZINC000530736716 435047312 /nfs/dbraw/zinc/04/73/12/435047312.db2.gz TYMHSGHMTGOMPC-OAHLLOKOSA-N 2 2 323.444 3.162 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CC(n2cccn2)C1)c1ccccc1 ZINC000638601429 435057025 /nfs/dbraw/zinc/05/70/25/435057025.db2.gz NLWJHIGNKJDJRM-ZLPCBKJTSA-N 2 2 312.461 3.306 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)C3CCC3)CC2)c1 ZINC000474469790 435147408 /nfs/dbraw/zinc/14/74/08/435147408.db2.gz HVAMQBGLLUOQON-GOSISDBHSA-N 2 2 315.505 3.285 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)[C@H]1C[NH3+] ZINC000430555047 533694520 /nfs/dbraw/zinc/69/45/20/533694520.db2.gz HQFWEUMWZJSJQZ-QAPCUYQASA-N 2 2 311.429 3.433 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000638849691 435102308 /nfs/dbraw/zinc/10/23/08/435102308.db2.gz ZQRPOTCRIYCFLU-UHFFFAOYSA-N 2 2 312.841 3.018 20 0 DGADLP CCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000578678405 435102371 /nfs/dbraw/zinc/10/23/71/435102371.db2.gz RXPBGJNNUWYYNZ-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000578678405 435102375 /nfs/dbraw/zinc/10/23/75/435102375.db2.gz RXPBGJNNUWYYNZ-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP Cn1c[nH+]cc1C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000531587519 435103948 /nfs/dbraw/zinc/10/39/48/435103948.db2.gz DFPZMZMFZDIPEB-INIZCTEOSA-N 2 2 301.390 3.500 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC[C@@H](C)C3)c2cc1C ZINC000558752573 435110426 /nfs/dbraw/zinc/11/04/26/435110426.db2.gz WWJYUWZSKYOLKF-XOKHGSTOSA-N 2 2 315.461 3.182 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@H]1C[NH3+] ZINC000430555047 533694531 /nfs/dbraw/zinc/69/45/31/533694531.db2.gz HQFWEUMWZJSJQZ-QAPCUYQASA-N 2 2 311.429 3.433 20 0 DGADLP Cc1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)sn1 ZINC000638871309 435110757 /nfs/dbraw/zinc/11/07/57/435110757.db2.gz LDXWZNQTJXEBEA-UHFFFAOYSA-N 2 2 300.431 3.061 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715957 435113719 /nfs/dbraw/zinc/11/37/19/435113719.db2.gz GZKXCOWRMGUVFD-JYBIWHBTSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715957 435113726 /nfs/dbraw/zinc/11/37/26/435113726.db2.gz GZKXCOWRMGUVFD-JYBIWHBTSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715957 435113730 /nfs/dbraw/zinc/11/37/30/435113730.db2.gz GZKXCOWRMGUVFD-JYBIWHBTSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715957 435113736 /nfs/dbraw/zinc/11/37/36/435113736.db2.gz GZKXCOWRMGUVFD-JYBIWHBTSA-N 3 2 321.553 3.349 20 0 DGADLP Cc1cnccc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000578834374 435113784 /nfs/dbraw/zinc/11/37/84/435113784.db2.gz SFTMRQHHPMTSGZ-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1cnccc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000578834374 435113790 /nfs/dbraw/zinc/11/37/90/435113790.db2.gz SFTMRQHHPMTSGZ-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000474482144 435149771 /nfs/dbraw/zinc/14/97/71/435149771.db2.gz XNSGNBSZGNUIGH-MAUKXSAKSA-N 2 2 306.519 3.281 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000467335353 435118138 /nfs/dbraw/zinc/11/81/38/435118138.db2.gz QFKQWIUJGSPFKB-SWLSCSKDSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000467335353 435118141 /nfs/dbraw/zinc/11/81/41/435118141.db2.gz QFKQWIUJGSPFKB-SWLSCSKDSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C1CCCCC1 ZINC000559145243 435123208 /nfs/dbraw/zinc/12/32/08/435123208.db2.gz GGMRXAAVKJZTTP-WSTZPKSXSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C1CCCCC1 ZINC000559145243 435123210 /nfs/dbraw/zinc/12/32/10/435123210.db2.gz GGMRXAAVKJZTTP-WSTZPKSXSA-N 2 2 321.553 3.161 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cccc(F)c1N)[NH+](C)C ZINC000639089350 435150105 /nfs/dbraw/zinc/15/01/05/435150105.db2.gz BPOGSUSHSZZTER-IFXJQAMLSA-N 2 2 315.436 3.497 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000559307129 435128704 /nfs/dbraw/zinc/12/87/04/435128704.db2.gz OOOAMVIBJPLMKQ-YUELXQCFSA-N 2 2 300.368 3.262 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000559307129 435128709 /nfs/dbraw/zinc/12/87/09/435128709.db2.gz OOOAMVIBJPLMKQ-YUELXQCFSA-N 2 2 300.368 3.262 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000469293623 435130423 /nfs/dbraw/zinc/13/04/23/435130423.db2.gz IKTSVCKUCMPZFI-MOPGFXCFSA-N 3 2 321.553 3.495 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000469293623 435130426 /nfs/dbraw/zinc/13/04/26/435130426.db2.gz IKTSVCKUCMPZFI-MOPGFXCFSA-N 3 2 321.553 3.495 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000639036949 435131745 /nfs/dbraw/zinc/13/17/45/435131745.db2.gz FSQJEBBSLFYXJS-HNNXBMFYSA-N 2 2 312.461 3.292 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128594 435133219 /nfs/dbraw/zinc/13/32/19/435133219.db2.gz BUZXQXUOZYIDCY-MJVIPROJSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000579128594 435133224 /nfs/dbraw/zinc/13/32/24/435133224.db2.gz BUZXQXUOZYIDCY-MJVIPROJSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000579194549 435136391 /nfs/dbraw/zinc/13/63/91/435136391.db2.gz UWGULVXVVNBDMA-QKPAOTATSA-N 2 2 308.491 3.431 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3[nH]cnc3c2)c[nH+]1 ZINC000559738006 435136961 /nfs/dbraw/zinc/13/69/61/435136961.db2.gz NJJSEFLVZWCHPX-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3nc[nH]c3c2)c[nH+]1 ZINC000559738006 435136964 /nfs/dbraw/zinc/13/69/64/435136964.db2.gz NJJSEFLVZWCHPX-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP Clc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761675 435139260 /nfs/dbraw/zinc/13/92/60/435139260.db2.gz GVGNLPBCNMCMPJ-KRWDZBQOSA-N 2 2 308.853 3.027 20 0 DGADLP Clc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559761675 435139263 /nfs/dbraw/zinc/13/92/63/435139263.db2.gz GVGNLPBCNMCMPJ-KRWDZBQOSA-N 2 2 308.853 3.027 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000532197249 435145570 /nfs/dbraw/zinc/14/55/70/435145570.db2.gz CUTBWTILJWMDIH-FQEVSTJZSA-N 2 2 315.505 3.223 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2ccccc2nc1C ZINC000639174804 435183939 /nfs/dbraw/zinc/18/39/39/435183939.db2.gz GYLBYTPJWFQSBP-UHFFFAOYSA-N 2 2 300.450 3.102 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2ccccc2nc1C ZINC000639174804 435183943 /nfs/dbraw/zinc/18/39/43/435183943.db2.gz GYLBYTPJWFQSBP-UHFFFAOYSA-N 2 2 300.450 3.102 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000494426059 435195600 /nfs/dbraw/zinc/19/56/00/435195600.db2.gz AAAKVAUTLSQMLJ-LBPRGKRZSA-N 2 2 313.298 3.146 20 0 DGADLP CO[C@@](C)(C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000639216346 435201917 /nfs/dbraw/zinc/20/19/17/435201917.db2.gz UITHECBSZRRSNA-KRWDZBQOSA-N 2 2 319.836 3.430 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988286 435201958 /nfs/dbraw/zinc/20/19/58/435201958.db2.gz WGKCCEGZLNQVEG-VQIMIIECSA-N 2 2 324.472 3.448 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988286 435201960 /nfs/dbraw/zinc/20/19/60/435201960.db2.gz WGKCCEGZLNQVEG-VQIMIIECSA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988286 435201964 /nfs/dbraw/zinc/20/19/64/435201964.db2.gz WGKCCEGZLNQVEG-VQIMIIECSA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988286 435201966 /nfs/dbraw/zinc/20/19/66/435201966.db2.gz WGKCCEGZLNQVEG-VQIMIIECSA-N 2 2 324.472 3.448 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CC(n2cccn2)C1)[NH+](C)C ZINC000639092518 435151288 /nfs/dbraw/zinc/15/12/88/435151288.db2.gz VWOYYIJNIOCFCG-BOMAWHNGSA-N 2 2 312.461 3.176 20 0 DGADLP c1cc(C[N@H+](C2CC2)C2CCCC2)cc(C[NH+]2CCOCC2)c1 ZINC000579460297 435156119 /nfs/dbraw/zinc/15/61/19/435156119.db2.gz VPYWIYDQWKGLJL-UHFFFAOYSA-N 2 2 314.473 3.426 20 0 DGADLP c1cc(C[N@@H+](C2CC2)C2CCCC2)cc(C[NH+]2CCOCC2)c1 ZINC000579460297 435156124 /nfs/dbraw/zinc/15/61/24/435156124.db2.gz VPYWIYDQWKGLJL-UHFFFAOYSA-N 2 2 314.473 3.426 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000474797624 435160257 /nfs/dbraw/zinc/16/02/57/435160257.db2.gz UBKWCMHYOMBOBZ-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000474797624 435160259 /nfs/dbraw/zinc/16/02/59/435160259.db2.gz UBKWCMHYOMBOBZ-GTAWCEEGSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000639119359 435161739 /nfs/dbraw/zinc/16/17/39/435161739.db2.gz AKHYHFAKZVMQGN-CRTAPUKWSA-N 2 2 322.440 3.275 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000639119607 435161965 /nfs/dbraw/zinc/16/19/65/435161965.db2.gz XVHBNTKXFFIVCA-KRWDZBQOSA-N 2 2 321.424 3.440 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000639119607 435161972 /nfs/dbraw/zinc/16/19/72/435161972.db2.gz XVHBNTKXFFIVCA-KRWDZBQOSA-N 2 2 321.424 3.440 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000474818412 435164139 /nfs/dbraw/zinc/16/41/39/435164139.db2.gz TUHJXKRJPZXMQN-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000474818412 435164144 /nfs/dbraw/zinc/16/41/44/435164144.db2.gz TUHJXKRJPZXMQN-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000474883495 435165528 /nfs/dbraw/zinc/16/55/28/435165528.db2.gz PFQHRZVOYDQCJX-PKOBYXMFSA-N 2 2 304.478 3.127 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OCc2cccnc2)cc1 ZINC000580144701 435206953 /nfs/dbraw/zinc/20/69/53/435206953.db2.gz IXKNHFWIUTXBDS-CQSZACIVSA-N 2 2 308.385 3.235 20 0 DGADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CCOCC1 ZINC000532454472 435167341 /nfs/dbraw/zinc/16/73/41/435167341.db2.gz BOLZYYTXPVQSQB-MRXNPFEDSA-N 2 2 301.434 3.140 20 0 DGADLP CC[C@H](C)[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155485 435177329 /nfs/dbraw/zinc/17/73/29/435177329.db2.gz QKKLGFGMZZTTRJ-BQFCYCMXSA-N 2 2 319.493 3.460 20 0 DGADLP CC[C@H](C)[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155485 435177331 /nfs/dbraw/zinc/17/73/31/435177331.db2.gz QKKLGFGMZZTTRJ-BQFCYCMXSA-N 2 2 319.493 3.460 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000580311429 435221565 /nfs/dbraw/zinc/22/15/65/435221565.db2.gz IKTWOHVEBKLEOG-QZTJIDSGSA-N 2 2 312.461 3.211 20 0 DGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000580423525 435232991 /nfs/dbraw/zinc/23/29/91/435232991.db2.gz XBOIIHKVOBNESD-OXJNMPFZSA-N 2 2 321.424 3.127 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086556 435251155 /nfs/dbraw/zinc/25/11/55/435251155.db2.gz IMRUZLLLXDGMEM-MFNGEMCRSA-N 2 2 312.379 3.437 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086556 435251160 /nfs/dbraw/zinc/25/11/60/435251160.db2.gz IMRUZLLLXDGMEM-MFNGEMCRSA-N 2 2 312.379 3.437 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)nc(C2CC2)[nH+]1 ZINC000533813550 435256649 /nfs/dbraw/zinc/25/66/49/435256649.db2.gz PVDKGSAELTUGKV-UHFFFAOYSA-N 2 2 314.458 3.046 20 0 DGADLP Cn1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000639374143 435272218 /nfs/dbraw/zinc/27/22/18/435272218.db2.gz BEFBFUUPKWEOPR-UHFFFAOYSA-N 2 2 318.509 3.168 20 0 DGADLP Cc1cccn2c(CN3CCC(C)([NH+]4CCCC4)CC3)c[nH+]c12 ZINC000639374081 435272406 /nfs/dbraw/zinc/27/24/06/435272406.db2.gz AERNIRWKXBCKPR-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)n1 ZINC000639375036 435272742 /nfs/dbraw/zinc/27/27/42/435272742.db2.gz ODWOMDKRYIXVDG-HNNXBMFYSA-N 2 2 302.466 3.105 20 0 DGADLP CCOc1cc(C[NH+]2CCC(CC)([NH+](C)C)CC2)ccc1O ZINC000639379593 435273079 /nfs/dbraw/zinc/27/30/79/435273079.db2.gz RESDSSJOVPEOLQ-UHFFFAOYSA-N 2 2 306.450 3.097 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000639379598 435274155 /nfs/dbraw/zinc/27/41/55/435274155.db2.gz REWALRPSQVCWTL-UHFFFAOYSA-N 2 2 306.498 3.024 20 0 DGADLP CCOc1cccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)n1 ZINC000639376768 435274713 /nfs/dbraw/zinc/27/47/13/435274713.db2.gz YNQUSEPVFPBOKV-UHFFFAOYSA-N 2 2 317.477 3.321 20 0 DGADLP Nc1cc(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000564964665 435276133 /nfs/dbraw/zinc/27/61/33/435276133.db2.gz CCVXLHFAAQQJEY-QGZVFWFLSA-N 2 2 313.470 3.562 20 0 DGADLP Nc1cc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000564964665 435276140 /nfs/dbraw/zinc/27/61/40/435276140.db2.gz CCVXLHFAAQQJEY-QGZVFWFLSA-N 2 2 313.470 3.562 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000584121729 435276813 /nfs/dbraw/zinc/27/68/13/435276813.db2.gz WEHRINOIVJVLST-CQSZACIVSA-N 2 2 324.415 3.309 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000584121729 435276817 /nfs/dbraw/zinc/27/68/17/435276817.db2.gz WEHRINOIVJVLST-CQSZACIVSA-N 2 2 324.415 3.309 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379222 435279459 /nfs/dbraw/zinc/27/94/59/435279459.db2.gz MZURBNAGWPMGDN-GFCCVEGCSA-N 2 2 307.825 3.255 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379222 435279464 /nfs/dbraw/zinc/27/94/64/435279464.db2.gz MZURBNAGWPMGDN-GFCCVEGCSA-N 2 2 307.825 3.255 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379222 435279468 /nfs/dbraw/zinc/27/94/68/435279468.db2.gz MZURBNAGWPMGDN-GFCCVEGCSA-N 2 2 307.825 3.255 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379222 435279471 /nfs/dbraw/zinc/27/94/71/435279471.db2.gz MZURBNAGWPMGDN-GFCCVEGCSA-N 2 2 307.825 3.255 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cscn1 ZINC000534328313 435280723 /nfs/dbraw/zinc/28/07/23/435280723.db2.gz XIUMTGPXCVHKAW-NSHDSACASA-N 2 2 302.378 3.319 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412745 435291697 /nfs/dbraw/zinc/29/16/97/435291697.db2.gz ZDWUCCVDQYWVND-JSJNYSNDSA-N 2 2 316.489 3.369 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412745 435291701 /nfs/dbraw/zinc/29/17/01/435291701.db2.gz ZDWUCCVDQYWVND-JSJNYSNDSA-N 2 2 316.489 3.369 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000648435717 435298708 /nfs/dbraw/zinc/29/87/08/435298708.db2.gz QNBYGAVQTWZUKY-CABCVRRESA-N 2 2 303.381 3.059 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc2cc(Cl)cnc2o1)Cn1cc[nH+]c1 ZINC000648437311 435298961 /nfs/dbraw/zinc/29/89/61/435298961.db2.gz RBUHIRSXQDBNNI-NSHDSACASA-N 2 2 304.781 3.104 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000534755298 435299391 /nfs/dbraw/zinc/29/93/91/435299391.db2.gz ZEIVTIWCAQRXOA-KRWDZBQOSA-N 2 2 321.896 3.255 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000534755298 435299395 /nfs/dbraw/zinc/29/93/95/435299395.db2.gz ZEIVTIWCAQRXOA-KRWDZBQOSA-N 2 2 321.896 3.255 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438426 435299446 /nfs/dbraw/zinc/29/94/46/435299446.db2.gz FRVOLCWNCQWJTB-QGZVFWFLSA-N 2 2 313.420 3.223 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000648438426 435299451 /nfs/dbraw/zinc/29/94/51/435299451.db2.gz FRVOLCWNCQWJTB-QGZVFWFLSA-N 2 2 313.420 3.223 20 0 DGADLP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000534846809 435300335 /nfs/dbraw/zinc/30/03/35/435300335.db2.gz QLJUIZNMKDPTJI-INIZCTEOSA-N 2 2 320.440 3.457 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000648462586 435308198 /nfs/dbraw/zinc/30/81/98/435308198.db2.gz ONZAICSBSIYFJW-HNNXBMFYSA-N 2 2 312.442 3.259 20 0 DGADLP CCn1nc(C)c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000639359528 435262028 /nfs/dbraw/zinc/26/20/28/435262028.db2.gz ABRIQMIBAQKSAN-UHFFFAOYSA-N 2 2 323.444 3.338 20 0 DGADLP CCn1nc(C)c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000639359528 435262033 /nfs/dbraw/zinc/26/20/33/435262033.db2.gz ABRIQMIBAQKSAN-UHFFFAOYSA-N 2 2 323.444 3.338 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2cc1Cl ZINC000643031484 435263197 /nfs/dbraw/zinc/26/31/97/435263197.db2.gz QDPBFXIQHPKLLA-BMIGLBTASA-N 2 2 305.784 3.216 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000643373736 435319985 /nfs/dbraw/zinc/31/99/85/435319985.db2.gz ZYGBWTFCRVVOKB-LJQANCHMSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)C[C@@H](O)C1CC1 ZINC000643373736 435319987 /nfs/dbraw/zinc/31/99/87/435319987.db2.gz ZYGBWTFCRVVOKB-LJQANCHMSA-N 2 2 315.461 3.218 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000643459777 435329093 /nfs/dbraw/zinc/32/90/93/435329093.db2.gz ICDFXVXFPOPEIK-MAUKXSAKSA-N 2 2 311.429 3.494 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000643457513 435329710 /nfs/dbraw/zinc/32/97/10/435329710.db2.gz HKYXVCPMKUNVJP-YZGWKJHDSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000643457513 435329712 /nfs/dbraw/zinc/32/97/12/435329712.db2.gz HKYXVCPMKUNVJP-YZGWKJHDSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000643459776 435329795 /nfs/dbraw/zinc/32/97/95/435329795.db2.gz ICDFXVXFPOPEIK-CRAIPNDOSA-N 2 2 311.429 3.494 20 0 DGADLP COc1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000639532692 435333887 /nfs/dbraw/zinc/33/38/87/435333887.db2.gz JRXBMAWCEGBVLE-CQSZACIVSA-N 2 2 322.412 3.346 20 0 DGADLP COc1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000639532692 435333891 /nfs/dbraw/zinc/33/38/91/435333891.db2.gz JRXBMAWCEGBVLE-CQSZACIVSA-N 2 2 322.412 3.346 20 0 DGADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500996 435337020 /nfs/dbraw/zinc/33/70/20/435337020.db2.gz NLXPCWJAUMJRPS-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CCCC[NH2+]1)CCC2 ZINC000643501784 435338456 /nfs/dbraw/zinc/33/84/56/435338456.db2.gz PVCUCHLVILPJHE-FUHWJXTLSA-N 2 2 300.446 3.121 20 0 DGADLP Brc1cccc2c1CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507628 435338856 /nfs/dbraw/zinc/33/88/56/435338856.db2.gz LAPIXXRUCLDGIU-HNNXBMFYSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000643505877 435339224 /nfs/dbraw/zinc/33/92/24/435339224.db2.gz CFOXIJJCIPGIDW-HZMBPMFUSA-N 2 2 309.251 3.339 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643507826 435339377 /nfs/dbraw/zinc/33/93/77/435339377.db2.gz QTLXZNDYKHPODA-CQSZACIVSA-N 2 2 309.251 3.086 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000643530155 435343892 /nfs/dbraw/zinc/34/38/92/435343892.db2.gz VMTYGKBYGIVGFN-HOTGVXAUSA-N 2 2 316.424 3.006 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000643530157 435345288 /nfs/dbraw/zinc/34/52/88/435345288.db2.gz VMTYGKBYGIVGFN-JKSUJKDBSA-N 2 2 316.424 3.006 20 0 DGADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1F ZINC000643537826 435345795 /nfs/dbraw/zinc/34/57/95/435345795.db2.gz RSVAIOLVGYBYOT-LJIGWXMPSA-N 2 2 324.415 3.150 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1OC(F)F ZINC000643537662 435346583 /nfs/dbraw/zinc/34/65/83/435346583.db2.gz NUQIJCRPOLRJEE-GMXVVIOVSA-N 2 2 302.340 3.029 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C(c1ccccc1)c1ccccc1 ZINC000643537571 435347146 /nfs/dbraw/zinc/34/71/46/435347146.db2.gz LUUIRUGVTIRLOL-SNRMKQJTSA-N 2 2 312.432 3.497 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000643537531 435347301 /nfs/dbraw/zinc/34/73/01/435347301.db2.gz KXQRLRHTQHMXSR-DRZSPHRISA-N 2 2 318.408 3.394 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1F ZINC000643537825 435347312 /nfs/dbraw/zinc/34/73/12/435347312.db2.gz RSVAIOLVGYBYOT-JKQORVJESA-N 2 2 324.415 3.150 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000643537690 435347623 /nfs/dbraw/zinc/34/76/23/435347623.db2.gz OIVCKARISRLMFH-CYDGBPFRSA-N 2 2 307.438 3.078 20 0 DGADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538269 435350180 /nfs/dbraw/zinc/35/01/80/435350180.db2.gz CVPJQWFBVABGCQ-UGFHNGPFSA-N 2 2 318.358 3.316 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2cc(Cl)cnc2o1 ZINC000648586788 435351757 /nfs/dbraw/zinc/35/17/57/435351757.db2.gz DVVRITHDTMPZJR-UHFFFAOYSA-N 2 2 304.781 3.200 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2cc(Cl)cnc2o1 ZINC000648586788 435351762 /nfs/dbraw/zinc/35/17/62/435351762.db2.gz DVVRITHDTMPZJR-UHFFFAOYSA-N 2 2 304.781 3.200 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000567781371 435355184 /nfs/dbraw/zinc/35/51/84/435355184.db2.gz CWUCVIXYSPALKM-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000567781371 435355188 /nfs/dbraw/zinc/35/51/88/435355188.db2.gz CWUCVIXYSPALKM-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCO[C@H]1C ZINC000639590802 435357706 /nfs/dbraw/zinc/35/77/06/435357706.db2.gz KDOQPYRISQITOL-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCO[C@H]1C ZINC000639590802 435357711 /nfs/dbraw/zinc/35/77/11/435357711.db2.gz KDOQPYRISQITOL-WDSOQIARSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000567831159 435361061 /nfs/dbraw/zinc/36/10/61/435361061.db2.gz QVIVTZOBHOVFOL-ZDUSSCGKSA-N 2 2 322.412 3.393 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000480035969 435362090 /nfs/dbraw/zinc/36/20/90/435362090.db2.gz GIQNQGIRMVKQOX-CABCVRRESA-N 2 2 310.507 3.318 20 0 DGADLP COc1cccc2c1C[N@H+](Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC000648769887 435414253 /nfs/dbraw/zinc/41/42/53/435414253.db2.gz HJNADJMUTATPOG-UHFFFAOYSA-N 2 2 307.397 3.210 20 0 DGADLP COc1cccc2c1C[N@@H+](Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC000648769887 435414256 /nfs/dbraw/zinc/41/42/56/435414256.db2.gz HJNADJMUTATPOG-UHFFFAOYSA-N 2 2 307.397 3.210 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000536837817 435414358 /nfs/dbraw/zinc/41/43/58/435414358.db2.gz IDNWTLXHIBPNTI-VUHPKUFZSA-N 2 2 302.462 3.225 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000536837817 435414362 /nfs/dbraw/zinc/41/43/62/435414362.db2.gz IDNWTLXHIBPNTI-VUHPKUFZSA-N 2 2 302.462 3.225 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069247 435370292 /nfs/dbraw/zinc/37/02/92/435370292.db2.gz XRRWEJLPLFSKSJ-GFCCVEGCSA-N 2 2 305.809 3.072 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000480254224 435370962 /nfs/dbraw/zinc/37/09/62/435370962.db2.gz MWCJMBOWMZRRIN-KFWWJZLASA-N 2 2 310.869 3.490 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000480224400 435371833 /nfs/dbraw/zinc/37/18/33/435371833.db2.gz FANPKPCYFFWAON-SOLBZPMBSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000480224400 435371840 /nfs/dbraw/zinc/37/18/40/435371840.db2.gz FANPKPCYFFWAON-SOLBZPMBSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000480246322 435371896 /nfs/dbraw/zinc/37/18/96/435371896.db2.gz YPUHOJYZNIIMFM-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000480246322 435371899 /nfs/dbraw/zinc/37/18/99/435371899.db2.gz YPUHOJYZNIIMFM-KSZLIROESA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000480269064 435373954 /nfs/dbraw/zinc/37/39/54/435373954.db2.gz ULQDPAJVZMINIY-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000480269064 435373957 /nfs/dbraw/zinc/37/39/57/435373957.db2.gz ULQDPAJVZMINIY-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP C[C@H](CCc1ccccc1)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000513111685 435378066 /nfs/dbraw/zinc/37/80/66/435378066.db2.gz JWFLSHSKRUCGOW-QGZVFWFLSA-N 2 2 320.440 3.429 20 0 DGADLP COC[C@H]([NH2+]Cc1c(C)cc(C)[nH+]c1C)c1cccc(OC)c1 ZINC000639801725 435423795 /nfs/dbraw/zinc/42/37/95/435423795.db2.gz RTJBNAUYYJKQOM-IBGZPJMESA-N 2 2 314.429 3.493 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000513678069 435395900 /nfs/dbraw/zinc/39/59/00/435395900.db2.gz HSNZDTWLTTWUCT-VFVRVIDISA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000513678069 435395904 /nfs/dbraw/zinc/39/59/04/435395904.db2.gz HSNZDTWLTTWUCT-VFVRVIDISA-N 2 2 308.416 3.358 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)CC[N@@H+]1C ZINC000648721472 435396477 /nfs/dbraw/zinc/39/64/77/435396477.db2.gz QOCATPQQXNXODQ-DGCLKSJQSA-N 2 2 314.433 3.139 20 0 DGADLP C[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)CC[N@H+]1C ZINC000648721472 435396481 /nfs/dbraw/zinc/39/64/81/435396481.db2.gz QOCATPQQXNXODQ-DGCLKSJQSA-N 2 2 314.433 3.139 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)n1 ZINC000639984202 435480658 /nfs/dbraw/zinc/48/06/58/435480658.db2.gz SLUWGRJBHRWJIC-UHFFFAOYSA-N 2 2 301.478 3.457 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639918568 435460197 /nfs/dbraw/zinc/46/01/97/435460197.db2.gz LSFJLCGSMKTZJD-HNNXBMFYSA-N 2 2 318.383 3.060 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000569098521 435503591 /nfs/dbraw/zinc/50/35/91/435503591.db2.gz ICQIQRKMKSHYPM-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000569098521 435503597 /nfs/dbraw/zinc/50/35/97/435503597.db2.gz ICQIQRKMKSHYPM-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP c1ccc(COc2cccc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)c2)cc1 ZINC000538735682 435517876 /nfs/dbraw/zinc/51/78/76/435517876.db2.gz UMNNTEYAEROBOH-PZJWPPBQSA-N 2 2 322.452 3.449 20 0 DGADLP c1ccc(COc2cccc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)c2)cc1 ZINC000538735682 435517880 /nfs/dbraw/zinc/51/78/80/435517880.db2.gz UMNNTEYAEROBOH-PZJWPPBQSA-N 2 2 322.452 3.449 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644885243 435534904 /nfs/dbraw/zinc/53/49/04/435534904.db2.gz KXLLNIKBMFUYFW-PRDNPTHXSA-N 2 2 314.473 3.310 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644885243 435534910 /nfs/dbraw/zinc/53/49/10/435534910.db2.gz KXLLNIKBMFUYFW-PRDNPTHXSA-N 2 2 314.473 3.310 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC000639986259 435481627 /nfs/dbraw/zinc/48/16/27/435481627.db2.gz KYESGYVANRRZET-MRXNPFEDSA-N 2 2 302.466 3.186 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000538116003 435481780 /nfs/dbraw/zinc/48/17/80/435481780.db2.gz HBLUWAIQYMBLAD-MSOLQXFVSA-N 2 2 304.503 3.473 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000482948513 435488713 /nfs/dbraw/zinc/48/87/13/435488713.db2.gz PKMQKLOPNZQMCQ-XYJFISCASA-N 3 2 303.494 3.046 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000482948513 435488716 /nfs/dbraw/zinc/48/87/16/435488716.db2.gz PKMQKLOPNZQMCQ-XYJFISCASA-N 3 2 303.494 3.046 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000568979253 435489687 /nfs/dbraw/zinc/48/96/87/435489687.db2.gz BAOIGOGCCSQDNY-MRXNPFEDSA-N 2 2 304.459 3.343 20 0 DGADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C(C)(C)c1ccccc1 ZINC000484467512 435546546 /nfs/dbraw/zinc/54/65/46/435546546.db2.gz AFHXRYZOTWAWDE-MAUKXSAKSA-N 2 2 306.519 3.380 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000484513858 435546725 /nfs/dbraw/zinc/54/67/25/435546725.db2.gz VSMVYRNNETYRJJ-MQIPJXDCSA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000484513858 435546728 /nfs/dbraw/zinc/54/67/28/435546728.db2.gz VSMVYRNNETYRJJ-MQIPJXDCSA-N 2 2 308.853 3.482 20 0 DGADLP CC(C)([NH3+])CCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000649277145 435555570 /nfs/dbraw/zinc/55/55/70/435555570.db2.gz GHOMITPVIASWKH-UHFFFAOYSA-N 2 2 314.433 3.219 20 0 DGADLP COc1nc2ccccc2cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000539816189 435571053 /nfs/dbraw/zinc/57/10/53/435571053.db2.gz KYNSSGSJJHNAHO-UHFFFAOYSA-N 2 2 313.445 3.206 20 0 DGADLP CCN(CC)c1ccc(CNc2[nH+]cnc3[nH]c(C)c(C)c32)c[nH+]1 ZINC000645123965 435572463 /nfs/dbraw/zinc/57/24/63/435572463.db2.gz IMIAEKLLOUSZLM-UHFFFAOYSA-N 2 2 324.432 3.428 20 0 DGADLP Cc1cccn2c(CN3CC[N@H+](C)CC34CCCCC4)c[nH+]c12 ZINC000539827207 435574356 /nfs/dbraw/zinc/57/43/56/435574356.db2.gz IDLUQAFABCXYLI-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000539850698 435576101 /nfs/dbraw/zinc/57/61/01/435576101.db2.gz NFFVDSHPVCIOJW-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000539850698 435576106 /nfs/dbraw/zinc/57/61/06/435576106.db2.gz NFFVDSHPVCIOJW-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000539850698 435576111 /nfs/dbraw/zinc/57/61/11/435576111.db2.gz NFFVDSHPVCIOJW-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000539850698 435576113 /nfs/dbraw/zinc/57/61/13/435576113.db2.gz NFFVDSHPVCIOJW-AWEZNQCLSA-N 2 2 305.491 3.184 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539894814 435579259 /nfs/dbraw/zinc/57/92/59/435579259.db2.gz NXRVNAFTLCQJLY-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539894814 435579264 /nfs/dbraw/zinc/57/92/64/435579264.db2.gz NXRVNAFTLCQJLY-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000539894814 435579268 /nfs/dbraw/zinc/57/92/68/435579268.db2.gz NXRVNAFTLCQJLY-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000539894814 435579272 /nfs/dbraw/zinc/57/92/72/435579272.db2.gz NXRVNAFTLCQJLY-WMLDXEAASA-N 2 2 317.502 3.469 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000517223363 435582706 /nfs/dbraw/zinc/58/27/06/435582706.db2.gz UTYFDGWOGBATOG-QUCCMNQESA-N 2 2 323.440 3.228 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@H]1[NH3+] ZINC000649416552 435583487 /nfs/dbraw/zinc/58/34/87/435583487.db2.gz DPDUSBAFOQSMOJ-TZMCWYRMSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@H]1[NH3+] ZINC000649416552 435583489 /nfs/dbraw/zinc/58/34/89/435583489.db2.gz DPDUSBAFOQSMOJ-TZMCWYRMSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@@H]1[NH3+] ZINC000649416528 435583865 /nfs/dbraw/zinc/58/38/65/435583865.db2.gz CVVXRQGMDLOUAN-JSGCOSHPSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@@H]1[NH3+] ZINC000649416528 435583869 /nfs/dbraw/zinc/58/38/69/435583869.db2.gz CVVXRQGMDLOUAN-JSGCOSHPSA-N 2 2 305.447 3.271 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241219 435584515 /nfs/dbraw/zinc/58/45/15/435584515.db2.gz QYLGDIGSIXJJKB-CXAGYDPISA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241219 435584520 /nfs/dbraw/zinc/58/45/20/435584520.db2.gz QYLGDIGSIXJJKB-CXAGYDPISA-N 2 2 303.381 3.114 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](Cc2ccccc2OC)C(C)C)[C@@H](C)C1 ZINC000484474281 435546418 /nfs/dbraw/zinc/54/64/18/435546418.db2.gz PESMIPWJZCHELB-JQHSSLGASA-N 2 2 304.478 3.192 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](Cc2ccccc2OC)C(C)C)[C@@H](C)C1 ZINC000484474281 435546424 /nfs/dbraw/zinc/54/64/24/435546424.db2.gz PESMIPWJZCHELB-JQHSSLGASA-N 2 2 304.478 3.192 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592177 435608301 /nfs/dbraw/zinc/60/83/01/435608301.db2.gz UJEFHMHXPOUDDT-BPQIPLTHSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592177 435608306 /nfs/dbraw/zinc/60/83/06/435608306.db2.gz UJEFHMHXPOUDDT-BPQIPLTHSA-N 2 2 306.494 3.331 20 0 DGADLP CC[NH+](CC)C[C@H]1CCN(Cc2cc(OC(C)C)cc[nH+]2)C1 ZINC000649545352 435619327 /nfs/dbraw/zinc/61/93/27/435619327.db2.gz CFPGLRUYDTUEBG-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649545352 435619331 /nfs/dbraw/zinc/61/93/31/435619331.db2.gz CFPGLRUYDTUEBG-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649545352 435619335 /nfs/dbraw/zinc/61/93/35/435619335.db2.gz CFPGLRUYDTUEBG-MRXNPFEDSA-N 2 2 305.466 3.033 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000649575184 435629156 /nfs/dbraw/zinc/62/91/56/435629156.db2.gz GVXIUXXLIZQSHI-GOEBONIOSA-N 2 2 308.491 3.170 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000649575184 435629160 /nfs/dbraw/zinc/62/91/60/435629160.db2.gz GVXIUXXLIZQSHI-GOEBONIOSA-N 2 2 308.491 3.170 20 0 DGADLP CCCCc1noc(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532678 435598703 /nfs/dbraw/zinc/59/87/03/435598703.db2.gz VLOQEKBXHUTYSY-UHFFFAOYSA-N 2 2 308.470 3.110 20 0 DGADLP CCCCc1noc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532678 435598705 /nfs/dbraw/zinc/59/87/05/435598705.db2.gz VLOQEKBXHUTYSY-UHFFFAOYSA-N 2 2 308.470 3.110 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)[nH]1 ZINC000570667604 435640363 /nfs/dbraw/zinc/64/03/63/435640363.db2.gz ATCRPYFLOVFARD-HOCLYGCPSA-N 2 2 319.497 3.061 20 0 DGADLP CC(C)CC[C@@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000570795572 435649924 /nfs/dbraw/zinc/64/99/24/435649924.db2.gz YQBYSLHLZDSKGE-CQSZACIVSA-N 2 2 321.852 3.412 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499178 435654073 /nfs/dbraw/zinc/65/40/73/435654073.db2.gz HDYAQDPLXRZMIS-DLBZAZTESA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499178 435654075 /nfs/dbraw/zinc/65/40/75/435654075.db2.gz HDYAQDPLXRZMIS-DLBZAZTESA-N 2 2 304.478 3.179 20 0 DGADLP Cc1occc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000490424912 435656243 /nfs/dbraw/zinc/65/62/43/435656243.db2.gz WMHHLRIXLGTUGX-UHFFFAOYSA-N 2 2 304.356 3.437 20 0 DGADLP c1cc(C[N@@H+]2CCC23CCCC3)cc(C[NH+]2CCOCC2)c1 ZINC000649658520 435658234 /nfs/dbraw/zinc/65/82/34/435658234.db2.gz OHSWPXYWCHAOEW-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP c1cc(C[N@H+]2CCC23CCCC3)cc(C[NH+]2CCOCC2)c1 ZINC000649658520 435658238 /nfs/dbraw/zinc/65/82/38/435658238.db2.gz OHSWPXYWCHAOEW-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccnc(O[C@@H](C)CC(C)C)c2)n1C ZINC000518397586 435637875 /nfs/dbraw/zinc/63/78/75/435637875.db2.gz IXQHGMCWEFYZJG-AWEZNQCLSA-N 2 2 316.449 3.227 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000519535266 435687706 /nfs/dbraw/zinc/68/77/06/435687706.db2.gz HEFBAGYKGRQWRL-NRFANRHFSA-N 2 2 320.436 3.279 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000548976179 435731623 /nfs/dbraw/zinc/73/16/23/435731623.db2.gz PFOUQYQRDCIJKC-OAHLLOKOSA-N 2 2 314.395 3.482 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000548976179 435731628 /nfs/dbraw/zinc/73/16/28/435731628.db2.gz PFOUQYQRDCIJKC-OAHLLOKOSA-N 2 2 314.395 3.482 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655700864 435732516 /nfs/dbraw/zinc/73/25/16/435732516.db2.gz NGXABJIRFSUQFD-PBHICJAKSA-N 2 2 320.502 3.312 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccn1 ZINC000520253299 435732737 /nfs/dbraw/zinc/73/27/37/435732737.db2.gz XELWYJPKASDAKI-ZDUSSCGKSA-N 2 2 310.401 3.250 20 0 DGADLP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2F)[C@@H]1c1cccs1 ZINC000641394639 435733180 /nfs/dbraw/zinc/73/31/80/435733180.db2.gz NBWDUAOHLPJNCI-MLGOLLRUSA-N 2 2 305.422 3.199 20 0 DGADLP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2F)[C@@H]1c1cccs1 ZINC000641394639 435733190 /nfs/dbraw/zinc/73/31/90/435733190.db2.gz NBWDUAOHLPJNCI-MLGOLLRUSA-N 2 2 305.422 3.199 20 0 DGADLP C[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000641422406 435739254 /nfs/dbraw/zinc/73/92/54/435739254.db2.gz XLDBENQDWXFWJE-YJBOKZPZSA-N 2 2 311.429 3.039 20 0 DGADLP C[C@H]1C[C@@H](Nc2cc(CO)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000641422406 435739259 /nfs/dbraw/zinc/73/92/59/435739259.db2.gz XLDBENQDWXFWJE-YJBOKZPZSA-N 2 2 311.429 3.039 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655707919 435739617 /nfs/dbraw/zinc/73/96/17/435739617.db2.gz APWFJZNYZGBJFL-VQTJNVASSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000655708493 435740870 /nfs/dbraw/zinc/74/08/70/435740870.db2.gz IXMZTYOKAOCEAG-VQIMIIECSA-N 2 2 316.489 3.196 20 0 DGADLP Cc1cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000664632371 435747228 /nfs/dbraw/zinc/74/72/28/435747228.db2.gz RINSBQHXHVVZGP-QGZVFWFLSA-N 2 2 308.429 3.349 20 0 DGADLP Cc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000664632371 435747244 /nfs/dbraw/zinc/74/72/44/435747244.db2.gz RINSBQHXHVVZGP-QGZVFWFLSA-N 2 2 308.429 3.349 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000655718823 435749039 /nfs/dbraw/zinc/74/90/39/435749039.db2.gz NVCRQXGEDPDHQG-INIZCTEOSA-N 2 2 323.444 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000655722105 435751074 /nfs/dbraw/zinc/75/10/74/435751074.db2.gz XHZLZJLOWWBUJE-BHIYHBOVSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ccnc32)CC[N@H+]1Cc1ccccc1 ZINC000655722105 435751078 /nfs/dbraw/zinc/75/10/78/435751078.db2.gz XHZLZJLOWWBUJE-BHIYHBOVSA-N 2 2 324.472 3.361 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000571890593 435753184 /nfs/dbraw/zinc/75/31/84/435753184.db2.gz PSLAEGGEBAIKSC-AWEZNQCLSA-N 2 2 307.850 3.290 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000655729265 435754953 /nfs/dbraw/zinc/75/49/53/435754953.db2.gz HUCZAHAKMXWGKJ-QAPCUYQASA-N 2 2 324.415 3.259 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CS1 ZINC000655729950 435755126 /nfs/dbraw/zinc/75/51/26/435755126.db2.gz QHGMYQXRVWQVFC-KBPBESRZSA-N 2 2 303.475 3.380 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CS1 ZINC000655729951 435755773 /nfs/dbraw/zinc/75/57/73/435755773.db2.gz QHGMYQXRVWQVFC-KGLIPLIRSA-N 2 2 303.475 3.380 20 0 DGADLP CC(C)(C)c1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc[nH+]1 ZINC000664678799 435761389 /nfs/dbraw/zinc/76/13/89/435761389.db2.gz NCOQABJBVVWDOM-HNNXBMFYSA-N 2 2 302.466 3.308 20 0 DGADLP CC(C)(C)c1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000664678799 435761392 /nfs/dbraw/zinc/76/13/92/435761392.db2.gz NCOQABJBVVWDOM-HNNXBMFYSA-N 2 2 302.466 3.308 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737917 435761687 /nfs/dbraw/zinc/76/16/87/435761687.db2.gz RIACKXKTLBQBST-BPAFIMBUSA-N 2 2 314.473 3.153 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000571409315 435704784 /nfs/dbraw/zinc/70/47/84/435704784.db2.gz LGSCWTMPTPBXSU-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000571409315 435704789 /nfs/dbraw/zinc/70/47/89/435704789.db2.gz LGSCWTMPTPBXSU-OAHLLOKOSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000649793435 435706280 /nfs/dbraw/zinc/70/62/80/435706280.db2.gz HFSDWRHZVMXMMO-GOSISDBHSA-N 2 2 313.445 3.379 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000649793435 435706283 /nfs/dbraw/zinc/70/62/83/435706283.db2.gz HFSDWRHZVMXMMO-GOSISDBHSA-N 2 2 313.445 3.379 20 0 DGADLP CCn1cc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)C)cn1 ZINC000649813494 435713169 /nfs/dbraw/zinc/71/31/69/435713169.db2.gz ISTRREXTNSTYAK-UHFFFAOYSA-N 2 2 323.444 3.499 20 0 DGADLP CCn1cc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)C)cn1 ZINC000649813494 435713172 /nfs/dbraw/zinc/71/31/72/435713172.db2.gz ISTRREXTNSTYAK-UHFFFAOYSA-N 2 2 323.444 3.499 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000660466630 435762291 /nfs/dbraw/zinc/76/22/91/435762291.db2.gz VFKKZLXSUKMRMY-MUJBESKKSA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000660466630 435762298 /nfs/dbraw/zinc/76/22/98/435762298.db2.gz VFKKZLXSUKMRMY-MUJBESKKSA-N 2 2 322.537 3.226 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c2cc1F ZINC000571595185 435721564 /nfs/dbraw/zinc/72/15/64/435721564.db2.gz YMTNONYOTIYBBL-GFCCVEGCSA-N 2 2 315.392 3.279 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)c2cc1F ZINC000571595185 435721571 /nfs/dbraw/zinc/72/15/71/435721571.db2.gz YMTNONYOTIYBBL-GFCCVEGCSA-N 2 2 315.392 3.279 20 0 DGADLP CCCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCc2ncsc2C1 ZINC000646130231 435788068 /nfs/dbraw/zinc/78/80/68/435788068.db2.gz MOIQCCGLWHTSHZ-CQSZACIVSA-N 2 2 318.490 3.079 20 0 DGADLP CCCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCc2ncsc2C1 ZINC000646130231 435788077 /nfs/dbraw/zinc/78/80/77/435788077.db2.gz MOIQCCGLWHTSHZ-CQSZACIVSA-N 2 2 318.490 3.079 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000651692480 435792188 /nfs/dbraw/zinc/79/21/88/435792188.db2.gz GUOXSJWSHIHOCR-MRXNPFEDSA-N 2 2 301.434 3.413 20 0 DGADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693414 435792639 /nfs/dbraw/zinc/79/26/39/435792639.db2.gz NFNNQBPYMISHES-OALUTQOASA-N 3 2 307.526 3.103 20 0 DGADLP C1CC([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)C1 ZINC000655779961 435793267 /nfs/dbraw/zinc/79/32/67/435793267.db2.gz VBMULNGCFNPSFJ-RTBURBONSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]1CC[N@H+](CCCN(C)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000572239240 435797519 /nfs/dbraw/zinc/79/75/19/435797519.db2.gz PWMXIIBMWZZDMK-MJGOQNOKSA-N 2 2 312.461 3.293 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000572239240 435797527 /nfs/dbraw/zinc/79/75/27/435797527.db2.gz PWMXIIBMWZZDMK-MJGOQNOKSA-N 2 2 312.461 3.293 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]1(O)CCCC1(C)C ZINC000550255914 435798519 /nfs/dbraw/zinc/79/85/19/435798519.db2.gz YUZSRVLOAOXRPU-YVWKXTFCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]1(O)CCCC1(C)C ZINC000550255914 435798521 /nfs/dbraw/zinc/79/85/21/435798521.db2.gz YUZSRVLOAOXRPU-YVWKXTFCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccncc2N)CCCC1)c1ccccc1 ZINC000641727971 435800903 /nfs/dbraw/zinc/80/09/03/435800903.db2.gz YAZCIEVZPHEKPP-INIZCTEOSA-N 2 2 324.472 3.417 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550678822 435805727 /nfs/dbraw/zinc/80/57/27/435805727.db2.gz UZJMOSJOCVTXPC-JBACZVJFSA-N 2 2 324.468 3.454 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550678822 435805729 /nfs/dbraw/zinc/80/57/29/435805729.db2.gz UZJMOSJOCVTXPC-JBACZVJFSA-N 2 2 324.468 3.454 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550678823 435807382 /nfs/dbraw/zinc/80/73/82/435807382.db2.gz UZJMOSJOCVTXPC-SESVDKBCSA-N 2 2 324.468 3.454 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550678823 435807389 /nfs/dbraw/zinc/80/73/89/435807389.db2.gz UZJMOSJOCVTXPC-SESVDKBCSA-N 2 2 324.468 3.454 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)cc2)c[nH+]1 ZINC000655811597 435817781 /nfs/dbraw/zinc/81/77/81/435817781.db2.gz VGWAYZAJEUKKNF-OALUTQOASA-N 2 2 311.429 3.310 20 0 DGADLP Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000641779364 435817826 /nfs/dbraw/zinc/81/78/26/435817826.db2.gz KRQWHLVPBMFSMH-GFCCVEGCSA-N 2 2 322.250 3.384 20 0 DGADLP Fc1cccc(C2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655743183 435765593 /nfs/dbraw/zinc/76/55/93/435765593.db2.gz PCWDDYVORRLHDS-SFHVURJKSA-N 2 2 318.436 3.048 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCn2ccnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655752062 435772681 /nfs/dbraw/zinc/77/26/81/435772681.db2.gz HVAIAUHOKDFTNC-QXAKKESOSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCn2ccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655752062 435772688 /nfs/dbraw/zinc/77/26/88/435772688.db2.gz HVAIAUHOKDFTNC-QXAKKESOSA-N 2 2 324.472 3.218 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000520812833 435773026 /nfs/dbraw/zinc/77/30/26/435773026.db2.gz GHVXRILFVGPVMQ-GDBMZVCRSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000520812833 435773029 /nfs/dbraw/zinc/77/30/29/435773029.db2.gz GHVXRILFVGPVMQ-GDBMZVCRSA-N 2 2 320.864 3.170 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cs2)c1 ZINC000641804256 435829000 /nfs/dbraw/zinc/82/90/00/435829000.db2.gz XHXICEUAICVFDN-CABCVRRESA-N 2 2 317.458 3.034 20 0 DGADLP c1ccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799536 435829544 /nfs/dbraw/zinc/82/95/44/435829544.db2.gz WSDWVAAJBYDIFX-ZFWWWQNUSA-N 2 2 301.459 3.260 20 0 DGADLP c1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nsc2c1 ZINC000641799536 435829549 /nfs/dbraw/zinc/82/95/49/435829549.db2.gz WSDWVAAJBYDIFX-ZFWWWQNUSA-N 2 2 301.459 3.260 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655838110 435830686 /nfs/dbraw/zinc/83/06/86/435830686.db2.gz IRUZWQFOULSBLI-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655838110 435830688 /nfs/dbraw/zinc/83/06/88/435830688.db2.gz IRUZWQFOULSBLI-FXAWDEMLSA-N 2 2 309.457 3.267 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848255 435838309 /nfs/dbraw/zinc/83/83/09/435838309.db2.gz CGFUJXLHUBCPTO-ULQDDVLXSA-N 2 2 318.436 3.428 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848255 435838315 /nfs/dbraw/zinc/83/83/15/435838315.db2.gz CGFUJXLHUBCPTO-ULQDDVLXSA-N 2 2 318.436 3.428 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848961 435839177 /nfs/dbraw/zinc/83/91/77/435839177.db2.gz MXITZUYNDQYXNM-BZSNNMDCSA-N 2 2 318.436 3.428 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848961 435839183 /nfs/dbraw/zinc/83/91/83/435839183.db2.gz MXITZUYNDQYXNM-BZSNNMDCSA-N 2 2 318.436 3.428 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849771 435839820 /nfs/dbraw/zinc/83/98/20/435839820.db2.gz YOCHVNKETAYAPD-KSZLIROESA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849771 435839824 /nfs/dbraw/zinc/83/98/24/435839824.db2.gz YOCHVNKETAYAPD-KSZLIROESA-N 2 2 300.446 3.376 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000655849207 435840136 /nfs/dbraw/zinc/84/01/36/435840136.db2.gz QFSYEBLTYOXNIM-WDYCEAGBSA-N 2 2 301.478 3.420 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000655849207 435840139 /nfs/dbraw/zinc/84/01/39/435840139.db2.gz QFSYEBLTYOXNIM-WDYCEAGBSA-N 2 2 301.478 3.420 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848198 435840308 /nfs/dbraw/zinc/84/03/08/435840308.db2.gz GSMZNBWMHDGYGS-ZYSHUDEJSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848198 435840314 /nfs/dbraw/zinc/84/03/14/435840314.db2.gz GSMZNBWMHDGYGS-ZYSHUDEJSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1O ZINC000655848765 435840642 /nfs/dbraw/zinc/84/06/42/435840642.db2.gz KDMHLUKXRMLWOP-CWRNSKLLSA-N 2 2 304.434 3.068 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1O ZINC000655848765 435840648 /nfs/dbraw/zinc/84/06/48/435840648.db2.gz KDMHLUKXRMLWOP-CWRNSKLLSA-N 2 2 304.434 3.068 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(OC)c1 ZINC000655850367 435842746 /nfs/dbraw/zinc/84/27/46/435842746.db2.gz VGYHUOMQKMBCFY-BMGDILEWSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(OC)c1 ZINC000655850367 435842750 /nfs/dbraw/zinc/84/27/50/435842750.db2.gz VGYHUOMQKMBCFY-BMGDILEWSA-N 2 2 318.461 3.371 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccccc1F)C2 ZINC000660654236 435844064 /nfs/dbraw/zinc/84/40/64/435844064.db2.gz GBCQHRPUDVXZPN-KRWDZBQOSA-N 2 2 308.466 3.336 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccccc1F)C2 ZINC000660654236 435844072 /nfs/dbraw/zinc/84/40/72/435844072.db2.gz GBCQHRPUDVXZPN-KRWDZBQOSA-N 2 2 308.466 3.336 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCSc1ccccc1F)C2 ZINC000660654236 435844077 /nfs/dbraw/zinc/84/40/77/435844077.db2.gz GBCQHRPUDVXZPN-KRWDZBQOSA-N 2 2 308.466 3.336 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCSc1ccccc1F)C2 ZINC000660654236 435844084 /nfs/dbraw/zinc/84/40/84/435844084.db2.gz GBCQHRPUDVXZPN-KRWDZBQOSA-N 2 2 308.466 3.336 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655857742 435849387 /nfs/dbraw/zinc/84/93/87/435849387.db2.gz VEXQFDCONYATSU-DLBZAZTESA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655857742 435849395 /nfs/dbraw/zinc/84/93/95/435849395.db2.gz VEXQFDCONYATSU-DLBZAZTESA-N 2 2 324.415 3.437 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651866200 435849785 /nfs/dbraw/zinc/84/97/85/435849785.db2.gz YMTZWNPIKQSSPC-UHFFFAOYSA-N 3 2 306.479 3.001 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000651866200 435849791 /nfs/dbraw/zinc/84/97/91/435849791.db2.gz YMTZWNPIKQSSPC-UHFFFAOYSA-N 3 2 306.479 3.001 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000651866337 435850132 /nfs/dbraw/zinc/85/01/32/435850132.db2.gz AFQQUMOXWXAWFU-UHFFFAOYSA-N 2 2 318.490 3.273 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000651866337 435850137 /nfs/dbraw/zinc/85/01/37/435850137.db2.gz AFQQUMOXWXAWFU-UHFFFAOYSA-N 2 2 318.490 3.273 20 0 DGADLP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000572629555 435850811 /nfs/dbraw/zinc/85/08/11/435850811.db2.gz ZCUZUEBNLOIUKP-MRXNPFEDSA-N 2 2 324.896 3.159 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccccn3)C2)s1 ZINC000572682555 435854603 /nfs/dbraw/zinc/85/46/03/435854603.db2.gz KTSZZVHBZRKELF-MRXNPFEDSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccccn3)C2)s1 ZINC000572682555 435854605 /nfs/dbraw/zinc/85/46/05/435854605.db2.gz KTSZZVHBZRKELF-MRXNPFEDSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccccn3)C2)s1 ZINC000572682555 435854609 /nfs/dbraw/zinc/85/46/09/435854609.db2.gz KTSZZVHBZRKELF-MRXNPFEDSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccccn3)C2)s1 ZINC000572682555 435854612 /nfs/dbraw/zinc/85/46/12/435854612.db2.gz KTSZZVHBZRKELF-MRXNPFEDSA-N 2 2 315.486 3.405 20 0 DGADLP CCc1nc(C)c(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)o1 ZINC000660677791 435856855 /nfs/dbraw/zinc/85/68/55/435856855.db2.gz OXHPXTOFJNOAGO-UHFFFAOYSA-N 2 2 313.445 3.300 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909725 435860434 /nfs/dbraw/zinc/86/04/34/435860434.db2.gz UZBMGPSSLUSMIE-DNVCBOLYSA-N 2 2 323.440 3.446 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909725 435860443 /nfs/dbraw/zinc/86/04/43/435860443.db2.gz UZBMGPSSLUSMIE-DNVCBOLYSA-N 2 2 323.440 3.446 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000660693169 435860980 /nfs/dbraw/zinc/86/09/80/435860980.db2.gz BTSOYGCGYWLFIA-OAHLLOKOSA-N 2 2 324.896 3.474 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000651908712 435861146 /nfs/dbraw/zinc/86/11/46/435861146.db2.gz LZDSVWMOKQMLFH-LZQZEXGQSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000651908712 435861148 /nfs/dbraw/zinc/86/11/48/435861148.db2.gz LZDSVWMOKQMLFH-LZQZEXGQSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(C(C)C)c2)CC1 ZINC000660695476 435861717 /nfs/dbraw/zinc/86/17/17/435861717.db2.gz IRFWYJUYYFXQBY-UHFFFAOYSA-N 2 2 318.505 3.383 20 0 DGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000641802504 435827381 /nfs/dbraw/zinc/82/73/81/435827381.db2.gz MACQBHDXCYVWJB-KBPBESRZSA-N 2 2 305.422 3.165 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cnn1-c1cc(C)ccc1C ZINC000665277731 435935851 /nfs/dbraw/zinc/93/58/51/435935851.db2.gz KDRLLDKOBKSFRC-FVWXCPNNSA-N 2 2 324.472 3.200 20 0 DGADLP Cc1nc(C)c(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000650349761 435897787 /nfs/dbraw/zinc/89/77/87/435897787.db2.gz HIOBZOZESKCYRF-UHFFFAOYSA-N 2 2 319.371 3.140 20 0 DGADLP Cc1nc(C)c(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000650349761 435897791 /nfs/dbraw/zinc/89/77/91/435897791.db2.gz HIOBZOZESKCYRF-UHFFFAOYSA-N 2 2 319.371 3.140 20 0 DGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281255 435936465 /nfs/dbraw/zinc/93/64/65/435936465.db2.gz VREQHEITAVNFJA-ICSRJNTNSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281255 435936469 /nfs/dbraw/zinc/93/64/69/435936469.db2.gz VREQHEITAVNFJA-ICSRJNTNSA-N 2 2 316.489 3.052 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665238228 435924947 /nfs/dbraw/zinc/92/49/47/435924947.db2.gz UIBZPMWRCJIEJZ-HZSPNIEDSA-N 2 2 308.388 3.126 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000656254550 435925240 /nfs/dbraw/zinc/92/52/40/435925240.db2.gz BDWWSHLKWFUVSA-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000656254550 435925241 /nfs/dbraw/zinc/92/52/41/435925241.db2.gz BDWWSHLKWFUVSA-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656254550 435925243 /nfs/dbraw/zinc/92/52/43/435925243.db2.gz BDWWSHLKWFUVSA-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656254550 435925247 /nfs/dbraw/zinc/92/52/47/435925247.db2.gz BDWWSHLKWFUVSA-YLJYHZDGSA-N 2 2 324.472 3.015 20 0 DGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252495 435929861 /nfs/dbraw/zinc/92/98/61/435929861.db2.gz QYZZECDVAXQWCB-QYRPDUKASA-N 2 2 324.468 3.498 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656276857 435935091 /nfs/dbraw/zinc/93/50/91/435935091.db2.gz IYSMKIUSHALMGV-LZQZEXGQSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656276857 435935095 /nfs/dbraw/zinc/93/50/95/435935095.db2.gz IYSMKIUSHALMGV-LZQZEXGQSA-N 2 2 302.462 3.320 20 0 DGADLP COc1cc(C)ccc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647263056 435995349 /nfs/dbraw/zinc/99/53/49/435995349.db2.gz CQYNHUSVMINPHC-UHFFFAOYSA-N 2 2 309.413 3.292 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647263131 435994635 /nfs/dbraw/zinc/99/46/35/435994635.db2.gz MFPWCKGBDYUPCQ-UHFFFAOYSA-N 2 2 313.376 3.123 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ncn1 ZINC000647196790 435969467 /nfs/dbraw/zinc/96/94/67/435969467.db2.gz MPKULZILPJIIGG-SFHVURJKSA-N 2 2 322.456 3.072 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ncn1 ZINC000647196790 435969472 /nfs/dbraw/zinc/96/94/72/435969472.db2.gz MPKULZILPJIIGG-SFHVURJKSA-N 2 2 322.456 3.072 20 0 DGADLP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cnn1C ZINC000647197072 435970923 /nfs/dbraw/zinc/97/09/23/435970923.db2.gz ZJKYYNCBFDIMSL-LJQANCHMSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cnn1C ZINC000647197072 435970929 /nfs/dbraw/zinc/97/09/29/435970929.db2.gz ZJKYYNCBFDIMSL-LJQANCHMSA-N 2 2 324.472 3.015 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229059 435981204 /nfs/dbraw/zinc/98/12/04/435981204.db2.gz JYAYUBJYQWUTCZ-SUFBMKPHSA-N 2 2 317.864 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229059 435981207 /nfs/dbraw/zinc/98/12/07/435981207.db2.gz JYAYUBJYQWUTCZ-SUFBMKPHSA-N 2 2 317.864 3.218 20 0 DGADLP COc1ccccc1C1([NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000647232757 435983091 /nfs/dbraw/zinc/98/30/91/435983091.db2.gz AJNLLRUCIVWCMO-UHFFFAOYSA-N 2 2 307.397 3.430 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000647243757 435986711 /nfs/dbraw/zinc/98/67/11/435986711.db2.gz OLRXYRSMRGHDQD-GOEBONIOSA-N 2 2 301.434 3.067 20 0 DGADLP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(Cl)o2)[C@H](c2ccccc2)C1 ZINC000647248749 435990724 /nfs/dbraw/zinc/99/07/24/435990724.db2.gz ZPOOPXNWCVUQGP-ZBFHGGJFSA-N 2 2 304.821 3.368 20 0 DGADLP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(Cl)o2)[C@H](c2ccccc2)C1 ZINC000647248749 435990727 /nfs/dbraw/zinc/99/07/27/435990727.db2.gz ZPOOPXNWCVUQGP-ZBFHGGJFSA-N 2 2 304.821 3.368 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661195573 435992740 /nfs/dbraw/zinc/99/27/40/435992740.db2.gz JWDREBMCWJVGGY-SFHVURJKSA-N 2 2 313.445 3.032 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661195573 435992746 /nfs/dbraw/zinc/99/27/46/435992746.db2.gz JWDREBMCWJVGGY-SFHVURJKSA-N 2 2 313.445 3.032 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000665281982 435937600 /nfs/dbraw/zinc/93/76/00/435937600.db2.gz NXOLZAFHHAVVHJ-AEFFLSMTSA-N 2 2 301.409 3.273 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000665281994 435937710 /nfs/dbraw/zinc/93/77/10/435937710.db2.gz ODNOLTWCXZSRBU-CVEARBPZSA-N 2 2 320.868 3.126 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000665281438 435937950 /nfs/dbraw/zinc/93/79/50/435937950.db2.gz CBIZKOGOIQFZJQ-AEFFLSMTSA-N 2 2 301.409 3.273 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000665298548 435942265 /nfs/dbraw/zinc/94/22/65/435942265.db2.gz YAAVDFGXTKNOQV-HZMBPMFUSA-N 2 2 311.267 3.369 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000665298549 435942657 /nfs/dbraw/zinc/94/26/57/435942657.db2.gz YAAVDFGXTKNOQV-IINYFYTJSA-N 2 2 311.267 3.369 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000665296621 435943148 /nfs/dbraw/zinc/94/31/48/435943148.db2.gz VPAAYBGLXPFVTH-GXTWGEPZSA-N 2 2 301.459 3.385 20 0 DGADLP Fc1cc(F)c2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652341141 435953505 /nfs/dbraw/zinc/95/35/05/435953505.db2.gz KABWFODZFIUUTR-UHFFFAOYSA-N 2 2 314.379 3.169 20 0 DGADLP Fc1cc(F)c2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652341141 435953509 /nfs/dbraw/zinc/95/35/09/435953509.db2.gz KABWFODZFIUUTR-UHFFFAOYSA-N 2 2 314.379 3.169 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000652341186 435954778 /nfs/dbraw/zinc/95/47/78/435954778.db2.gz OGZIMOPAAIZOFN-JTNHKYCSSA-N 2 2 302.340 3.061 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2n(n1)CCCC2 ZINC000647284252 436000871 /nfs/dbraw/zinc/00/08/71/436000871.db2.gz JDLHFBFRTJHWSV-HNNXBMFYSA-N 2 2 321.428 3.256 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283267 436001040 /nfs/dbraw/zinc/00/10/40/436001040.db2.gz RUYJMBYJOZIQMO-BBWFWOEESA-N 2 2 318.509 3.238 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283267 436001045 /nfs/dbraw/zinc/00/10/45/436001045.db2.gz RUYJMBYJOZIQMO-BBWFWOEESA-N 2 2 318.509 3.238 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CNc3ccccc3C2)n1-c1ccccc1 ZINC000650716815 436003773 /nfs/dbraw/zinc/00/37/73/436003773.db2.gz KHIKSSNSSZWCCU-QGZVFWFLSA-N 2 2 318.424 3.307 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)c1cc2n(n1)CCCC2)[NH+]1CCCCC1 ZINC000647299735 436008047 /nfs/dbraw/zinc/00/80/47/436008047.db2.gz CAOWUUIECKYXDR-CVEARBPZSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647321033 436012767 /nfs/dbraw/zinc/01/27/67/436012767.db2.gz STPJFEVOHVJOQH-KBMXLJTQSA-N 2 2 318.486 3.002 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647321033 436012769 /nfs/dbraw/zinc/01/27/69/436012769.db2.gz STPJFEVOHVJOQH-KBMXLJTQSA-N 2 2 318.486 3.002 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000647343801 436026362 /nfs/dbraw/zinc/02/63/62/436026362.db2.gz CIZZMZFUEALOCU-XYPHTWIQSA-N 2 2 315.486 3.448 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000647343801 436026367 /nfs/dbraw/zinc/02/63/67/436026367.db2.gz CIZZMZFUEALOCU-XYPHTWIQSA-N 2 2 315.486 3.448 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cn21 ZINC000647364790 436031056 /nfs/dbraw/zinc/03/10/56/436031056.db2.gz MQKDVWZSRCXZNU-AWEZNQCLSA-N 2 2 323.396 3.265 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C12CCC2 ZINC000647363817 436032798 /nfs/dbraw/zinc/03/27/98/436032798.db2.gz KSRARCKNPZMHOS-IRXDYDNUSA-N 2 2 313.445 3.123 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)c[nH+]1 ZINC000656784353 436043304 /nfs/dbraw/zinc/04/33/04/436043304.db2.gz CPQKMGSMBLZNCG-LJQANCHMSA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)c[nH+]1 ZINC000656784353 436043308 /nfs/dbraw/zinc/04/33/08/436043308.db2.gz CPQKMGSMBLZNCG-LJQANCHMSA-N 3 2 324.472 3.084 20 0 DGADLP COc1cccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1F ZINC000647263144 435995641 /nfs/dbraw/zinc/99/56/41/435995641.db2.gz PUQKFPSNBPAGQX-UHFFFAOYSA-N 2 2 313.376 3.123 20 0 DGADLP COCc1cccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647262527 435995838 /nfs/dbraw/zinc/99/58/38/435995838.db2.gz BRANVCPGUGABIS-UHFFFAOYSA-N 2 2 309.413 3.121 20 0 DGADLP c1cn(CCC[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)c[nH+]1 ZINC000661542107 436104715 /nfs/dbraw/zinc/10/47/15/436104715.db2.gz VVMGCHXJSJJFMV-UHFFFAOYSA-N 2 2 324.453 3.455 20 0 DGADLP c1cn(CCC[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c[nH+]1 ZINC000661542107 436104719 /nfs/dbraw/zinc/10/47/19/436104719.db2.gz VVMGCHXJSJJFMV-UHFFFAOYSA-N 2 2 324.453 3.455 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479882 436060543 /nfs/dbraw/zinc/06/05/43/436060543.db2.gz XKVOGLOOZWNRFB-RDJZCZTQSA-N 2 2 306.425 3.188 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479882 436060549 /nfs/dbraw/zinc/06/05/49/436060549.db2.gz XKVOGLOOZWNRFB-RDJZCZTQSA-N 2 2 306.425 3.188 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2sc(C)cc2Br)CC[C@H]1[NH3+] ZINC000647497226 436067349 /nfs/dbraw/zinc/06/73/49/436067349.db2.gz AETFZYNKDPIUDY-ZYHUDNBSSA-N 2 2 317.296 3.378 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2sc(C)cc2Br)CC[C@H]1[NH3+] ZINC000647497226 436067353 /nfs/dbraw/zinc/06/73/53/436067353.db2.gz AETFZYNKDPIUDY-ZYHUDNBSSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000647507899 436068538 /nfs/dbraw/zinc/06/85/38/436068538.db2.gz ZPTRDEYOLKEYTE-OXQOHEQNSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CCO[C@@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000647507899 436068543 /nfs/dbraw/zinc/06/85/43/436068543.db2.gz ZPTRDEYOLKEYTE-OXQOHEQNSA-N 2 2 310.441 3.210 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647536722 436074597 /nfs/dbraw/zinc/07/45/97/436074597.db2.gz ZSMHASMJROBDED-CQSZACIVSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647536722 436074601 /nfs/dbraw/zinc/07/46/01/436074601.db2.gz ZSMHASMJROBDED-CQSZACIVSA-N 2 2 304.768 3.112 20 0 DGADLP Brc1ccsc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647537092 436074745 /nfs/dbraw/zinc/07/47/45/436074745.db2.gz VZSKKUPXZWAJFK-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1ccsc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647537092 436074748 /nfs/dbraw/zinc/07/47/48/436074748.db2.gz VZSKKUPXZWAJFK-CYBMUJFWSA-N 2 2 315.280 3.086 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000647542415 436079359 /nfs/dbraw/zinc/07/93/59/436079359.db2.gz FPJYCFWUYJODID-USXIJHARSA-N 2 2 318.461 3.056 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000647542415 436079364 /nfs/dbraw/zinc/07/93/64/436079364.db2.gz FPJYCFWUYJODID-USXIJHARSA-N 2 2 318.461 3.056 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543973 436079436 /nfs/dbraw/zinc/07/94/36/436079436.db2.gz VCJCIFYIZUMHJS-MOPGFXCFSA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543973 436079442 /nfs/dbraw/zinc/07/94/42/436079442.db2.gz VCJCIFYIZUMHJS-MOPGFXCFSA-N 3 2 324.472 3.084 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1OC ZINC000647545204 436081435 /nfs/dbraw/zinc/08/14/35/436081435.db2.gz FZVYZFCMQYYEHU-AWEZNQCLSA-N 2 2 306.450 3.186 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1OC ZINC000647545204 436081442 /nfs/dbraw/zinc/08/14/42/436081442.db2.gz FZVYZFCMQYYEHU-AWEZNQCLSA-N 2 2 306.450 3.186 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661489851 436083304 /nfs/dbraw/zinc/08/33/04/436083304.db2.gz CGIZRUQJOFESMZ-HNAYVOBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661489851 436083307 /nfs/dbraw/zinc/08/33/07/436083307.db2.gz CGIZRUQJOFESMZ-HNAYVOBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1nc2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2s1 ZINC000647553620 436083854 /nfs/dbraw/zinc/08/38/54/436083854.db2.gz FJPCSQOHALAGMU-MRXNPFEDSA-N 2 2 301.459 3.369 20 0 DGADLP Brc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554367 436084569 /nfs/dbraw/zinc/08/45/69/436084569.db2.gz XVMDWEIDNJDZMM-AWEZNQCLSA-N 2 2 309.251 3.213 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554392 436084916 /nfs/dbraw/zinc/08/49/16/436084916.db2.gz YPOGCOVXRGYNFR-AWEZNQCLSA-N 2 2 314.351 3.350 20 0 DGADLP Fc1ccc(-c2cnc(C[N@H+](C3CC3)C3CC[NH2+]CC3)o2)cc1 ZINC000647814673 436127135 /nfs/dbraw/zinc/12/71/35/436127135.db2.gz ZFNMGVLBGPNDQG-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Fc1ccc(-c2cnc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)o2)cc1 ZINC000647814673 436127140 /nfs/dbraw/zinc/12/71/40/436127140.db2.gz ZFNMGVLBGPNDQG-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000657311535 436129043 /nfs/dbraw/zinc/12/90/43/436129043.db2.gz MYYCNXUZYBHVAW-INIZCTEOSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000657311535 436129047 /nfs/dbraw/zinc/12/90/47/436129047.db2.gz MYYCNXUZYBHVAW-INIZCTEOSA-N 2 2 312.461 3.382 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657311160 436129954 /nfs/dbraw/zinc/12/99/54/436129954.db2.gz UZBXVDXDWGTDPW-CYBMUJFWSA-N 2 2 315.417 3.006 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1F)C[NH+]1CCCCC1 ZINC000657317466 436134029 /nfs/dbraw/zinc/13/40/29/436134029.db2.gz XVCJYYBTFKNJNP-GFCCVEGCSA-N 2 2 300.368 3.316 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1F ZINC000661658960 436139263 /nfs/dbraw/zinc/13/92/63/436139263.db2.gz NIMMIGBJRHHCJU-INIZCTEOSA-N 2 2 303.381 3.258 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1F ZINC000661658960 436139267 /nfs/dbraw/zinc/13/92/67/436139267.db2.gz NIMMIGBJRHHCJU-INIZCTEOSA-N 2 2 303.381 3.258 20 0 DGADLP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000647882208 436141283 /nfs/dbraw/zinc/14/12/83/436141283.db2.gz WJKWWIAPUZNUHP-INIZCTEOSA-N 2 2 318.465 3.254 20 0 DGADLP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000647882208 436141288 /nfs/dbraw/zinc/14/12/88/436141288.db2.gz WJKWWIAPUZNUHP-INIZCTEOSA-N 2 2 318.465 3.254 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H](c1ccccc1)c1ccncc1)CCC2 ZINC000657331674 436142229 /nfs/dbraw/zinc/14/22/29/436142229.db2.gz LAKDYUYJRLBJOU-LJQANCHMSA-N 2 2 304.397 3.104 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n(CC2CC2)n1 ZINC000657336746 436144694 /nfs/dbraw/zinc/14/46/94/436144694.db2.gz ZXGFRKVCRPSGOL-UHFFFAOYSA-N 2 2 316.493 3.037 20 0 DGADLP COc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)c(C(F)(F)F)c1 ZINC000657341942 436148926 /nfs/dbraw/zinc/14/89/26/436148926.db2.gz DAUBEWJTXAKYNK-UHFFFAOYSA-N 2 2 313.323 3.046 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925526 436151837 /nfs/dbraw/zinc/15/18/37/436151837.db2.gz MLLDTVCVZDRSHF-LLVKDONJSA-N 2 2 320.824 3.264 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@H]1[NH3+] ZINC000647937770 436152465 /nfs/dbraw/zinc/15/24/65/436152465.db2.gz AXWNUTXOVADHJC-GZBFAFLISA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@H]1[NH3+] ZINC000647937770 436152470 /nfs/dbraw/zinc/15/24/70/436152470.db2.gz AXWNUTXOVADHJC-GZBFAFLISA-N 2 2 323.868 3.035 20 0 DGADLP CC1([NH3+])CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000647926545 436152783 /nfs/dbraw/zinc/15/27/83/436152783.db2.gz FKYHOTOEENBZLV-GOSISDBHSA-N 2 2 323.440 3.180 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113972 436113463 /nfs/dbraw/zinc/11/34/63/436113463.db2.gz TVSPCASFPHVPDQ-QZTJIDSGSA-N 2 2 323.396 3.343 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653120684 436113741 /nfs/dbraw/zinc/11/37/41/436113741.db2.gz XARJTNVCBWEDPQ-MSOLQXFVSA-N 2 2 323.396 3.343 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H](C)CC(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000647800456 436122749 /nfs/dbraw/zinc/12/27/49/436122749.db2.gz BNGCXKHRCKRJPW-VMGRFDJRSA-N 2 2 312.404 3.369 20 0 DGADLP Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657298239 436123150 /nfs/dbraw/zinc/12/31/50/436123150.db2.gz MYWGLYHSIYVULJ-AWEZNQCLSA-N 2 2 303.406 3.295 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957012 436157407 /nfs/dbraw/zinc/15/74/07/436157407.db2.gz BEJSCTJUHUHZHB-QGZVFWFLSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957012 436157411 /nfs/dbraw/zinc/15/74/11/436157411.db2.gz BEJSCTJUHUHZHB-QGZVFWFLSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](CC3CC3)CC2)c(C)[nH+]1 ZINC000647977237 436167249 /nfs/dbraw/zinc/16/72/49/436167249.db2.gz YDAMCFYBJLJSJO-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP COc1ccccc1C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657387593 436173309 /nfs/dbraw/zinc/17/33/09/436173309.db2.gz RGBCCRZPSILBOA-KRWDZBQOSA-N 2 2 313.445 3.195 20 0 DGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(OCC2CC2)c1 ZINC000657396061 436179325 /nfs/dbraw/zinc/17/93/25/436179325.db2.gz FNUTUCWHMBSOEY-UHFFFAOYSA-N 2 2 311.429 3.216 20 0 DGADLP CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCn1cc[nH+]c1 ZINC000661739450 436175133 /nfs/dbraw/zinc/17/51/33/436175133.db2.gz JZVHUJCKSIWVKG-INIZCTEOSA-N 2 2 319.836 3.389 20 0 DGADLP CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCn1cc[nH+]c1 ZINC000661739450 436175134 /nfs/dbraw/zinc/17/51/34/436175134.db2.gz JZVHUJCKSIWVKG-INIZCTEOSA-N 2 2 319.836 3.389 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000648013747 436181570 /nfs/dbraw/zinc/18/15/70/436181570.db2.gz QAPNRZYFLYYQRG-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000648013747 436181576 /nfs/dbraw/zinc/18/15/76/436181576.db2.gz QAPNRZYFLYYQRG-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000648013747 436181586 /nfs/dbraw/zinc/18/15/86/436181586.db2.gz QAPNRZYFLYYQRG-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000648013747 436181589 /nfs/dbraw/zinc/18/15/89/436181589.db2.gz QAPNRZYFLYYQRG-AZUAARDMSA-N 2 2 324.472 3.097 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657527872 436234687 /nfs/dbraw/zinc/23/46/87/436234687.db2.gz GRMNZNRJECPAEU-XBMUEBEBSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657527872 436234690 /nfs/dbraw/zinc/23/46/90/436234690.db2.gz GRMNZNRJECPAEU-XBMUEBEBSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000648038574 436190291 /nfs/dbraw/zinc/19/02/91/436190291.db2.gz AZVVETFFJNJRCR-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000648038574 436190296 /nfs/dbraw/zinc/19/02/96/436190296.db2.gz AZVVETFFJNJRCR-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cn1 ZINC000648038574 436190301 /nfs/dbraw/zinc/19/03/01/436190301.db2.gz AZVVETFFJNJRCR-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cn1 ZINC000648038574 436190307 /nfs/dbraw/zinc/19/03/07/436190307.db2.gz AZVVETFFJNJRCR-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657427243 436195987 /nfs/dbraw/zinc/19/59/87/436195987.db2.gz BJDNSKUFDZFLKI-HNNXBMFYSA-N 2 2 317.820 3.486 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(OC)c(OC)c1 ZINC000657463982 436211733 /nfs/dbraw/zinc/21/17/33/436211733.db2.gz IABNWQQMIKOTLZ-HNNXBMFYSA-N 2 2 315.417 3.087 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000653589866 436215375 /nfs/dbraw/zinc/21/53/75/436215375.db2.gz AKKPAACYRZYYJP-CYBMUJFWSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000653589866 436215379 /nfs/dbraw/zinc/21/53/79/436215379.db2.gz AKKPAACYRZYYJP-CYBMUJFWSA-N 2 2 305.372 3.120 20 0 DGADLP CCOc1ccc(C[C@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657487490 436224652 /nfs/dbraw/zinc/22/46/52/436224652.db2.gz KMAIIJFWTUFIEK-HNNXBMFYSA-N 2 2 313.445 3.196 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C[N@@H+]1C1CC1 ZINC000657709096 436285910 /nfs/dbraw/zinc/28/59/10/436285910.db2.gz OZBMJZKMJKAKKO-WTTBNOFXSA-N 2 2 306.494 3.328 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C[N@H+]1C1CC1 ZINC000657709096 436285915 /nfs/dbraw/zinc/28/59/15/436285915.db2.gz OZBMJZKMJKAKKO-WTTBNOFXSA-N 2 2 306.494 3.328 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000657737174 436292070 /nfs/dbraw/zinc/29/20/70/436292070.db2.gz IOSKCPVOKOKHGR-FVQBIDKESA-N 2 2 308.416 3.388 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000657737174 436292076 /nfs/dbraw/zinc/29/20/76/436292076.db2.gz IOSKCPVOKOKHGR-FVQBIDKESA-N 2 2 308.416 3.388 20 0 DGADLP C[C@]1(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CCC[NH2+]C1 ZINC000666843179 436292911 /nfs/dbraw/zinc/29/29/11/436292911.db2.gz QPMKASDARUOWRI-HNNXBMFYSA-N 2 2 318.795 3.421 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657588949 436255174 /nfs/dbraw/zinc/25/51/74/436255174.db2.gz YIOYWHVBJYIXKH-PXNSSMCTSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657588949 436255178 /nfs/dbraw/zinc/25/51/78/436255178.db2.gz YIOYWHVBJYIXKH-PXNSSMCTSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3(CC(C)C)CC3)c2cc1C ZINC000662071222 436264581 /nfs/dbraw/zinc/26/45/81/436264581.db2.gz RTKBXJRIAQYZMF-MRXNPFEDSA-N 2 2 315.461 3.182 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCOC(C)(C)C)n1-c1ccccc1 ZINC000657638819 436266866 /nfs/dbraw/zinc/26/68/66/436266866.db2.gz XMGCFPFYQZHRNZ-UHFFFAOYSA-N 2 2 301.434 3.476 20 0 DGADLP Clc1ccc(-c2nc(C[NH2+]C3CC[NH2+]CC3)cs2)cc1 ZINC000666734196 436271753 /nfs/dbraw/zinc/27/17/53/436271753.db2.gz FJPLVWSEIPAYGG-UHFFFAOYSA-N 2 2 307.850 3.305 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@@H+]1Cc1ccccc1 ZINC000657665550 436272779 /nfs/dbraw/zinc/27/27/79/436272779.db2.gz LPMQFETZJOMJBR-QFHJOOASSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C[N@H+]1Cc1ccccc1 ZINC000657665550 436272783 /nfs/dbraw/zinc/27/27/83/436272783.db2.gz LPMQFETZJOMJBR-QFHJOOASSA-N 2 2 302.462 3.197 20 0 DGADLP Fc1cccc(COc2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2)c1 ZINC000666782343 436280488 /nfs/dbraw/zinc/28/04/88/436280488.db2.gz TYTOUPUGKTZDKA-GOSISDBHSA-N 2 2 314.404 3.246 20 0 DGADLP CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000662128471 436281464 /nfs/dbraw/zinc/28/14/64/436281464.db2.gz OQCMPTNDBQGYJE-XGSMCBPESA-N 2 2 314.473 3.282 20 0 DGADLP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000662128471 436281468 /nfs/dbraw/zinc/28/14/68/436281468.db2.gz OQCMPTNDBQGYJE-XGSMCBPESA-N 2 2 314.473 3.282 20 0 DGADLP CCOC1CCC([NH2+]CCCc2[nH+]c3ccccc3n2C)CC1 ZINC000657919787 436341614 /nfs/dbraw/zinc/34/16/14/436341614.db2.gz QLXQUJCHOOYUAF-UHFFFAOYSA-N 2 2 315.461 3.443 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657980582 436350720 /nfs/dbraw/zinc/35/07/20/436350720.db2.gz XHFBOMJRWWMWJP-RTBURBONSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657980582 436350723 /nfs/dbraw/zinc/35/07/23/436350723.db2.gz XHFBOMJRWWMWJP-RTBURBONSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000666868688 436298266 /nfs/dbraw/zinc/29/82/66/436298266.db2.gz QZKRVLCUFZZAPB-AWEZNQCLSA-N 2 2 304.463 3.006 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657787030 436304154 /nfs/dbraw/zinc/30/41/54/436304154.db2.gz ZNXSJAXPNFPZKD-MSOLQXFVSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657787030 436304158 /nfs/dbraw/zinc/30/41/58/436304158.db2.gz ZNXSJAXPNFPZKD-MSOLQXFVSA-N 2 2 316.489 3.444 20 0 DGADLP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000657814693 436314066 /nfs/dbraw/zinc/31/40/66/436314066.db2.gz BTGDOONTHWAXOB-HKUYNNGSSA-N 2 2 310.445 3.145 20 0 DGADLP Clc1ccccc1C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662255827 436314440 /nfs/dbraw/zinc/31/44/40/436314440.db2.gz FAJMJTCPBUTVPN-MRXNPFEDSA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccccc1C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000662255827 436314442 /nfs/dbraw/zinc/31/44/42/436314442.db2.gz FAJMJTCPBUTVPN-MRXNPFEDSA-N 2 2 308.853 3.073 20 0 DGADLP c1csc([C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+]2CCCC2)c1 ZINC000657818631 436316291 /nfs/dbraw/zinc/31/62/91/436316291.db2.gz SKFCFRTWWYURJR-LSDHHAIUSA-N 2 2 306.475 3.186 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000657817460 436316487 /nfs/dbraw/zinc/31/64/87/436316487.db2.gz OIPJGELLNVJKES-SJLPKXTDSA-N 2 2 302.462 3.371 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)sc2c1 ZINC000666993765 436320391 /nfs/dbraw/zinc/32/03/91/436320391.db2.gz HTAUHDPXGYBBAX-LBPRGKRZSA-N 2 2 305.422 3.200 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)C1 ZINC000666995084 436322240 /nfs/dbraw/zinc/32/22/40/436322240.db2.gz CZIOFFJFGLTUIX-NEWSRXKRSA-N 3 2 319.537 3.294 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1OC(F)F ZINC000662273238 436322448 /nfs/dbraw/zinc/32/24/48/436322448.db2.gz NBZQBMQQPRFCKZ-CYBMUJFWSA-N 2 2 302.340 3.130 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1OC(F)F ZINC000662273238 436322450 /nfs/dbraw/zinc/32/24/50/436322450.db2.gz NBZQBMQQPRFCKZ-CYBMUJFWSA-N 2 2 302.340 3.130 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(F)c1OC(F)F)C1CCCCC1 ZINC000662276100 436322570 /nfs/dbraw/zinc/32/25/70/436322570.db2.gz FPALIADPVBPNRO-CQSZACIVSA-N 2 2 316.367 3.424 20 0 DGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000662282613 436323496 /nfs/dbraw/zinc/32/34/96/436323496.db2.gz PCLFSJDXLWHASQ-WMLDXEAASA-N 2 2 302.418 3.016 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2OC(F)F)C[C@H]1C[NH3+] ZINC000662283093 436323551 /nfs/dbraw/zinc/32/35/51/436323551.db2.gz KNQCWHKMKFPNOS-NTZNESFSSA-N 2 2 316.367 3.232 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(F)c2OC(F)F)C[C@H]1C[NH3+] ZINC000662283093 436323555 /nfs/dbraw/zinc/32/35/55/436323555.db2.gz KNQCWHKMKFPNOS-NTZNESFSSA-N 2 2 316.367 3.232 20 0 DGADLP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)CC(C)(C)[NH3+] ZINC000662292807 436323617 /nfs/dbraw/zinc/32/36/17/436323617.db2.gz MZJNRAJYJWMYSZ-UHFFFAOYSA-N 2 2 311.429 3.108 20 0 DGADLP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)CC(C)(C)[NH3+] ZINC000662292807 436323619 /nfs/dbraw/zinc/32/36/19/436323619.db2.gz MZJNRAJYJWMYSZ-UHFFFAOYSA-N 2 2 311.429 3.108 20 0 DGADLP C[N@H+](Cc1cc(Br)cc2cccnc21)CC(C)(C)[NH3+] ZINC000662293440 436325330 /nfs/dbraw/zinc/32/53/30/436325330.db2.gz RMPCVIOOQDAEJM-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP C[N@@H+](Cc1cc(Br)cc2cccnc21)CC(C)(C)[NH3+] ZINC000662293440 436325334 /nfs/dbraw/zinc/32/53/34/436325334.db2.gz RMPCVIOOQDAEJM-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC(C)(C)[NH3+] ZINC000662296246 436325980 /nfs/dbraw/zinc/32/59/80/436325980.db2.gz APSSQZFGFYIRJA-UHFFFAOYSA-N 2 2 311.429 3.108 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC(C)(C)[NH3+] ZINC000662296246 436325982 /nfs/dbraw/zinc/32/59/82/436325982.db2.gz APSSQZFGFYIRJA-UHFFFAOYSA-N 2 2 311.429 3.108 20 0 DGADLP Fc1cc(C[NH2+][C@H]2CCCSCC2)ccc1-n1cc[nH+]c1 ZINC000657851099 436326721 /nfs/dbraw/zinc/32/67/21/436326721.db2.gz LVXLYOJJPNTTMD-AWEZNQCLSA-N 2 2 305.422 3.387 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662303805 436327488 /nfs/dbraw/zinc/32/74/88/436327488.db2.gz GVAUPXOTOILFNA-CDWSIMAYSA-N 2 2 300.324 3.069 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303805 436327492 /nfs/dbraw/zinc/32/74/92/436327492.db2.gz GVAUPXOTOILFNA-CDWSIMAYSA-N 2 2 300.324 3.069 20 0 DGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662303806 436327679 /nfs/dbraw/zinc/32/76/79/436327679.db2.gz GVAUPXOTOILFNA-IFQILLTASA-N 2 2 300.324 3.069 20 0 DGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662303806 436327683 /nfs/dbraw/zinc/32/76/83/436327683.db2.gz GVAUPXOTOILFNA-IFQILLTASA-N 2 2 300.324 3.069 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323906 436330078 /nfs/dbraw/zinc/33/00/78/436330078.db2.gz UFMNCIJKLLXYNZ-UKRRQHHQSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323906 436330080 /nfs/dbraw/zinc/33/00/80/436330080.db2.gz UFMNCIJKLLXYNZ-UKRRQHHQSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319195 436331546 /nfs/dbraw/zinc/33/15/46/436331546.db2.gz KGSZHPOFPIFPAC-HUUCEWRRSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319195 436331548 /nfs/dbraw/zinc/33/15/48/436331548.db2.gz KGSZHPOFPIFPAC-HUUCEWRRSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897556 436334932 /nfs/dbraw/zinc/33/49/32/436334932.db2.gz VBZRYBDJISBPFJ-PBHICJAKSA-N 2 2 307.401 3.255 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658060150 436363236 /nfs/dbraw/zinc/36/32/36/436363236.db2.gz JVQLBITVAIZMES-GOEBONIOSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658060150 436363238 /nfs/dbraw/zinc/36/32/38/436363238.db2.gz JVQLBITVAIZMES-GOEBONIOSA-N 2 2 318.461 3.154 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061589 436363282 /nfs/dbraw/zinc/36/32/82/436363282.db2.gz PIUHWYOFGOLFBW-DZGCQCFKSA-N 2 2 306.498 3.470 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061589 436363286 /nfs/dbraw/zinc/36/32/86/436363286.db2.gz PIUHWYOFGOLFBW-DZGCQCFKSA-N 2 2 306.498 3.470 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658207741 436400823 /nfs/dbraw/zinc/40/08/23/436400823.db2.gz WTYADWXOFGYRCN-JOMPHRNESA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658207741 436400826 /nfs/dbraw/zinc/40/08/26/436400826.db2.gz WTYADWXOFGYRCN-JOMPHRNESA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658240127 436408340 /nfs/dbraw/zinc/40/83/40/436408340.db2.gz QGTVZDTYOZUYLB-HOTGVXAUSA-N 2 2 311.473 3.345 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000658238157 436408691 /nfs/dbraw/zinc/40/86/91/436408691.db2.gz HXNNBEHWSMRPSB-FUHWJXTLSA-N 2 2 301.478 3.039 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000658026103 436355495 /nfs/dbraw/zinc/35/54/95/436355495.db2.gz QOKVFYZDPGXLBF-MSOLQXFVSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000658026103 436355497 /nfs/dbraw/zinc/35/54/97/436355497.db2.gz QOKVFYZDPGXLBF-MSOLQXFVSA-N 2 2 324.896 3.098 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CCCO2 ZINC000658054740 436359690 /nfs/dbraw/zinc/35/96/90/436359690.db2.gz GJYXVBKRTVUKGV-WMLDXEAASA-N 2 2 318.461 3.371 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nccn1C ZINC000658336056 436434987 /nfs/dbraw/zinc/43/49/87/436434987.db2.gz MKTVNDXJBHDGTH-HLLBOEOZSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658340969 436436232 /nfs/dbraw/zinc/43/62/32/436436232.db2.gz SMZTZTIUJYBSQV-FXAWDEMLSA-N 2 2 314.473 3.215 20 0 DGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000663343818 436443663 /nfs/dbraw/zinc/44/36/63/436443663.db2.gz FYQQTXPKRYGLFG-HNNXBMFYSA-N 2 2 308.416 3.485 20 0 DGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000663343818 436443665 /nfs/dbraw/zinc/44/36/65/436443665.db2.gz FYQQTXPKRYGLFG-HNNXBMFYSA-N 2 2 308.416 3.485 20 0 DGADLP CCn1nccc1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000663348646 436444470 /nfs/dbraw/zinc/44/44/70/436444470.db2.gz HRKRNTPOIBAHKU-UHFFFAOYSA-N 2 2 314.477 3.151 20 0 DGADLP CCn1nccc1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000663348646 436444471 /nfs/dbraw/zinc/44/44/71/436444471.db2.gz HRKRNTPOIBAHKU-UHFFFAOYSA-N 2 2 314.477 3.151 20 0 DGADLP CC[NH+](CC)CC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663396868 436452248 /nfs/dbraw/zinc/45/22/48/436452248.db2.gz MSIBPSCFMCCZIT-UHFFFAOYSA-N 2 2 312.461 3.375 20 0 DGADLP Cc1cc(CO)cc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416330 436457649 /nfs/dbraw/zinc/45/76/49/436457649.db2.gz MYTXGFAUJYBTHZ-MAUKXSAKSA-N 2 2 311.429 3.130 20 0 DGADLP Cc1cc(CO)cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000663416330 436457652 /nfs/dbraw/zinc/45/76/52/436457652.db2.gz MYTXGFAUJYBTHZ-MAUKXSAKSA-N 2 2 311.429 3.130 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284981 436416669 /nfs/dbraw/zinc/41/66/69/436416669.db2.gz JELASBFSZPNEND-INMHGKMJSA-N 2 2 320.477 3.270 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000658284981 436416672 /nfs/dbraw/zinc/41/66/72/436416672.db2.gz JELASBFSZPNEND-INMHGKMJSA-N 2 2 320.477 3.270 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286154 436417038 /nfs/dbraw/zinc/41/70/38/436417038.db2.gz PMAHKSPATVNHEE-IAGOWNOFSA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286154 436417042 /nfs/dbraw/zinc/41/70/42/436417042.db2.gz PMAHKSPATVNHEE-IAGOWNOFSA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287339 436419438 /nfs/dbraw/zinc/41/94/38/436419438.db2.gz HIDOBZNVOUIKSC-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000658287339 436419441 /nfs/dbraw/zinc/41/94/41/436419441.db2.gz HIDOBZNVOUIKSC-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286277 436419482 /nfs/dbraw/zinc/41/94/82/436419482.db2.gz QVHMMSPBDXRSKV-YOEHRIQHSA-N 2 2 317.433 3.304 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286277 436419485 /nfs/dbraw/zinc/41/94/85/436419485.db2.gz QVHMMSPBDXRSKV-YOEHRIQHSA-N 2 2 317.433 3.304 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000658286438 436419691 /nfs/dbraw/zinc/41/96/91/436419691.db2.gz SVMDWTXUXZYKBK-SQNIBIBYSA-N 2 2 301.478 3.490 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)C1 ZINC000658286438 436419694 /nfs/dbraw/zinc/41/96/94/436419694.db2.gz SVMDWTXUXZYKBK-SQNIBIBYSA-N 2 2 301.478 3.490 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658295824 436420319 /nfs/dbraw/zinc/42/03/19/436420319.db2.gz OVCANRXAKZBBPC-BSWAZPDLSA-N 2 2 320.502 3.083 20 0 DGADLP Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c(C)[nH+]1 ZINC000659252249 436482885 /nfs/dbraw/zinc/48/28/85/436482885.db2.gz WIBIYAAVQOZMAH-MRXNPFEDSA-N 2 2 309.413 3.329 20 0 DGADLP [NH3+]C1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC2(CCC2)C1 ZINC000659284464 436490039 /nfs/dbraw/zinc/49/00/39/436490039.db2.gz FAJYCWBEIPQPKL-UHFFFAOYSA-N 2 2 323.396 3.474 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000663730090 436498429 /nfs/dbraw/zinc/49/84/29/436498429.db2.gz WZEWAHRMAHKMTE-GXTWGEPZSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000663730090 436498430 /nfs/dbraw/zinc/49/84/30/436498430.db2.gz WZEWAHRMAHKMTE-GXTWGEPZSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(CO)cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)[nH+]1 ZINC000663910322 436525872 /nfs/dbraw/zinc/52/58/72/436525872.db2.gz UCXLPBFXKPHOHI-HNAYVOBHSA-N 2 2 313.445 3.294 20 0 DGADLP Cc1nc2[nH]ccc2c(N2CCC([NH2+]Cc3ccccc3)CC2)[nH+]1 ZINC000663959870 436533858 /nfs/dbraw/zinc/53/38/58/436533858.db2.gz QXVMKKOBYXWQSK-UHFFFAOYSA-N 2 2 321.428 3.025 20 0 DGADLP Nc1[nH+]cccc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000664033570 436548299 /nfs/dbraw/zinc/54/82/99/436548299.db2.gz NILXBBWJHGOCNE-UHFFFAOYSA-N 2 2 320.396 3.443 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000659865829 436548326 /nfs/dbraw/zinc/54/83/26/436548326.db2.gz QPAMWOJRDZGVHJ-HNNXBMFYSA-N 2 2 323.506 3.096 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000659865829 436548327 /nfs/dbraw/zinc/54/83/27/436548327.db2.gz QPAMWOJRDZGVHJ-HNNXBMFYSA-N 2 2 323.506 3.096 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448763 436550826 /nfs/dbraw/zinc/55/08/26/436550826.db2.gz VNQLYUZWVVVWFF-IEBWSBKVSA-N 2 2 323.396 3.202 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1Cl ZINC000659949470 436564787 /nfs/dbraw/zinc/56/47/87/436564787.db2.gz XIEWNWVCLRXQJN-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1Cl ZINC000659949470 436564788 /nfs/dbraw/zinc/56/47/88/436564788.db2.gz XIEWNWVCLRXQJN-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@@H+]1C ZINC000659984947 436575085 /nfs/dbraw/zinc/57/50/85/436575085.db2.gz ZFVIPCPWYHSSCO-BXUZGUMPSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@H+]1C ZINC000659984947 436575087 /nfs/dbraw/zinc/57/50/87/436575087.db2.gz ZFVIPCPWYHSSCO-BXUZGUMPSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984947 436575091 /nfs/dbraw/zinc/57/50/91/436575091.db2.gz ZFVIPCPWYHSSCO-BXUZGUMPSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984947 436575095 /nfs/dbraw/zinc/57/50/95/436575095.db2.gz ZFVIPCPWYHSSCO-BXUZGUMPSA-N 2 2 316.367 3.342 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655690864 436575387 /nfs/dbraw/zinc/57/53/87/436575387.db2.gz AATRUUAYZZIGJM-MOPGFXCFSA-N 2 2 302.462 3.227 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083457 436587770 /nfs/dbraw/zinc/58/77/70/436587770.db2.gz TZWXYPLBWACPML-BBRMVZONSA-N 2 2 303.475 3.458 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083457 436587772 /nfs/dbraw/zinc/58/77/72/436587772.db2.gz TZWXYPLBWACPML-BBRMVZONSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083457 436587775 /nfs/dbraw/zinc/58/77/75/436587775.db2.gz TZWXYPLBWACPML-BBRMVZONSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000660083457 436587777 /nfs/dbraw/zinc/58/77/77/436587777.db2.gz TZWXYPLBWACPML-BBRMVZONSA-N 2 2 303.475 3.458 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110306 436589930 /nfs/dbraw/zinc/58/99/30/436589930.db2.gz AHZHBLBSNFVWHD-KBAYOESNSA-N 2 2 305.466 3.361 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110306 436589933 /nfs/dbraw/zinc/58/99/33/436589933.db2.gz AHZHBLBSNFVWHD-KBAYOESNSA-N 2 2 305.466 3.361 20 0 DGADLP CCc1cc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364319 436590258 /nfs/dbraw/zinc/59/02/58/436590258.db2.gz PECWDJUKDZDPOA-IBGZPJMESA-N 2 2 324.472 3.101 20 0 DGADLP CCc1cc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364319 436590261 /nfs/dbraw/zinc/59/02/61/436590261.db2.gz PECWDJUKDZDPOA-IBGZPJMESA-N 2 2 324.472 3.101 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194236 436601800 /nfs/dbraw/zinc/60/18/00/436601800.db2.gz GPLYQMFDCZMSHV-ZBFHGGJFSA-N 2 2 310.507 3.150 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194236 436601802 /nfs/dbraw/zinc/60/18/02/436601802.db2.gz GPLYQMFDCZMSHV-ZBFHGGJFSA-N 2 2 310.507 3.150 20 0 DGADLP Cc1nc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)co1 ZINC000660271112 436616547 /nfs/dbraw/zinc/61/65/47/436616547.db2.gz XIAQCHOHWKZNLP-HUUCEWRRSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCCC1 ZINC000292205967 302135697 /nfs/dbraw/zinc/13/56/97/302135697.db2.gz PTKVNKCHIGBGTG-QUCCMNQESA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCCC1 ZINC000292205967 302135699 /nfs/dbraw/zinc/13/56/99/302135699.db2.gz PTKVNKCHIGBGTG-QUCCMNQESA-N 2 2 315.505 3.062 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)CCn1cccn1)[NH+](C)C ZINC000443214442 302208926 /nfs/dbraw/zinc/20/89/26/302208926.db2.gz KWOXVNWLVNNVTO-AOIWGVFYSA-N 2 2 314.477 3.251 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183235176 302666607 /nfs/dbraw/zinc/66/66/07/302666607.db2.gz WPGGMURHPMFHDK-SFHVURJKSA-N 2 2 323.444 3.209 20 0 DGADLP Cc1cccc(Cl)c1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727275 313067195 /nfs/dbraw/zinc/06/71/95/313067195.db2.gz BEFDLIUSFFEDIS-UHFFFAOYSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC000529524479 313215967 /nfs/dbraw/zinc/21/59/67/313215967.db2.gz BPUPZPYNHUZKJY-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000529538125 313221198 /nfs/dbraw/zinc/22/11/98/313221198.db2.gz KSZILBXYYWATJI-CQSZACIVSA-N 2 2 319.449 3.284 20 0 DGADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000529538125 313221201 /nfs/dbraw/zinc/22/12/01/313221201.db2.gz KSZILBXYYWATJI-CQSZACIVSA-N 2 2 319.449 3.284 20 0 DGADLP c1cc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2)ccn1 ZINC000530176834 313334236 /nfs/dbraw/zinc/33/42/36/313334236.db2.gz CWMLBHZIDNZRKZ-LJQANCHMSA-N 2 2 323.440 3.035 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530215764 313340746 /nfs/dbraw/zinc/34/07/46/313340746.db2.gz IUMZHQWFJKGPDE-MRVPVSSYSA-N 2 2 319.193 3.130 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2[nH]c(=O)oc2c1 ZINC000530219249 313341394 /nfs/dbraw/zinc/34/13/94/313341394.db2.gz ZNSTWGRQKQSFTK-CVEARBPZSA-N 2 2 315.417 3.105 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC)c(OC)c1 ZINC000530226344 313343198 /nfs/dbraw/zinc/34/31/98/313343198.db2.gz ZYHPAZPKOGANIP-RHSMWYFYSA-N 2 2 304.434 3.029 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000530225631 313343320 /nfs/dbraw/zinc/34/33/20/313343320.db2.gz UXBULBOMZKFESL-JSGCOSHPSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000530225631 313343321 /nfs/dbraw/zinc/34/33/21/313343321.db2.gz UXBULBOMZKFESL-JSGCOSHPSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000530225630 313343335 /nfs/dbraw/zinc/34/33/35/313343335.db2.gz UXBULBOMZKFESL-GXTWGEPZSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000530225630 313343336 /nfs/dbraw/zinc/34/33/36/313343336.db2.gz UXBULBOMZKFESL-GXTWGEPZSA-N 2 2 313.367 3.064 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000532198237 313526065 /nfs/dbraw/zinc/52/60/65/313526065.db2.gz GUSUTHLNFDWMAN-ULQDDVLXSA-N 2 2 320.477 3.154 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000532197250 313526460 /nfs/dbraw/zinc/52/64/60/313526460.db2.gz CUTBWTILJWMDIH-HXUWFJFHSA-N 2 2 315.505 3.223 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3c2cccc3Cl)C[C@@H](C)O1 ZINC000532197350 313526536 /nfs/dbraw/zinc/52/65/36/313526536.db2.gz LDSVHESUPQJKOF-LBTNJELSSA-N 2 2 322.880 3.416 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C2CCCC2)o1 ZINC000539393943 313910300 /nfs/dbraw/zinc/91/03/00/313910300.db2.gz KEGOYAOUCBRFEE-HNAYVOBHSA-N 2 2 320.477 3.377 20 0 DGADLP CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CCCn1cc[nH+]c1 ZINC000540588962 313967166 /nfs/dbraw/zinc/96/71/66/313967166.db2.gz KCJUJXKEMHFMRV-KRWDZBQOSA-N 2 2 319.424 3.496 20 0 DGADLP Cc1nc(N2CCC(C[N@@H+](C)C(C)C)CC2)c2c([nH+]1)CCCC2 ZINC000542948874 314107860 /nfs/dbraw/zinc/10/78/60/314107860.db2.gz FLCLCNOKQCALMG-UHFFFAOYSA-N 2 2 316.493 3.220 20 0 DGADLP Cc1nc(N2CCC(C[N@H+](C)C(C)C)CC2)c2c([nH+]1)CCCC2 ZINC000542948874 314107864 /nfs/dbraw/zinc/10/78/64/314107864.db2.gz FLCLCNOKQCALMG-UHFFFAOYSA-N 2 2 316.493 3.220 20 0 DGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc2)c1 ZINC000546568682 314311894 /nfs/dbraw/zinc/31/18/94/314311894.db2.gz HHJSDVDXCJXTET-NHCUHLMSSA-N 2 2 324.468 3.049 20 0 DGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc2)c1 ZINC000546568682 314311897 /nfs/dbraw/zinc/31/18/97/314311897.db2.gz HHJSDVDXCJXTET-NHCUHLMSSA-N 2 2 324.468 3.049 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000547013969 314340380 /nfs/dbraw/zinc/34/03/80/314340380.db2.gz MDFWSXSCOLHWPZ-CVEARBPZSA-N 2 2 322.468 3.477 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)C[NH+]2CCCCC2)cc1F ZINC000547013971 314340433 /nfs/dbraw/zinc/34/04/33/314340433.db2.gz MDFWSXSCOLHWPZ-HZPDHXFCSA-N 2 2 322.468 3.477 20 0 DGADLP CCCOc1cccc2c(N3CC[C@@H](C[NH+](C)C)C3)cc[nH+]c12 ZINC000558943327 314869349 /nfs/dbraw/zinc/86/93/49/314869349.db2.gz XBWBSWSPPNSGAH-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCO[C@H]2C)[NH+](CC)CC)cc1 ZINC000559872893 314894005 /nfs/dbraw/zinc/89/40/05/314894005.db2.gz YKBGXCWHUOINKN-IPELMVKDSA-N 2 2 304.478 3.399 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000560091726 314901429 /nfs/dbraw/zinc/90/14/29/314901429.db2.gz FTLBXVVAXVZFFS-NWDGAFQWSA-N 2 2 301.356 3.430 20 0 DGADLP CC[NH2+]CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000562955751 315064686 /nfs/dbraw/zinc/06/46/86/315064686.db2.gz KRGZDSKUDHCVPD-SFHVURJKSA-N 2 2 301.409 3.208 20 0 DGADLP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563428834 315114824 /nfs/dbraw/zinc/11/48/24/315114824.db2.gz JJWCDONREDIDPM-IETCZJMGSA-N 2 2 314.473 3.277 20 0 DGADLP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563428834 315114826 /nfs/dbraw/zinc/11/48/26/315114826.db2.gz JJWCDONREDIDPM-IETCZJMGSA-N 2 2 314.473 3.277 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000563692581 315132074 /nfs/dbraw/zinc/13/20/74/315132074.db2.gz HVQZQNLUPTXTQE-UHFFFAOYSA-N 2 2 305.447 3.209 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000563692581 315132079 /nfs/dbraw/zinc/13/20/79/315132079.db2.gz HVQZQNLUPTXTQE-UHFFFAOYSA-N 2 2 305.447 3.209 20 0 DGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000564074312 315155545 /nfs/dbraw/zinc/15/55/45/315155545.db2.gz ULLDDPYUFKRGBT-IPMKNSEASA-N 2 2 318.424 3.244 20 0 DGADLP c1cc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2o1 ZINC000565228928 315245298 /nfs/dbraw/zinc/24/52/98/315245298.db2.gz JHODARQAXYPBEF-SFHVURJKSA-N 2 2 314.429 3.120 20 0 DGADLP c1cc2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2o1 ZINC000565228928 315245301 /nfs/dbraw/zinc/24/53/01/315245301.db2.gz JHODARQAXYPBEF-SFHVURJKSA-N 2 2 314.429 3.120 20 0 DGADLP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000566424260 315344358 /nfs/dbraw/zinc/34/43/58/315344358.db2.gz JVHKKHJDBXCXSO-ZWKOTPCHSA-N 2 2 316.489 3.193 20 0 DGADLP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000566424260 315344361 /nfs/dbraw/zinc/34/43/61/315344361.db2.gz JVHKKHJDBXCXSO-ZWKOTPCHSA-N 2 2 316.489 3.193 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2ccccc2Br)n1C ZINC000566499468 315353950 /nfs/dbraw/zinc/35/39/50/315353950.db2.gz UXEGVOKQLGQHCN-LLVKDONJSA-N 2 2 322.250 3.212 20 0 DGADLP Cc1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000566801509 315375041 /nfs/dbraw/zinc/37/50/41/315375041.db2.gz UHLJLMIERRIHIK-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP Cc1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000566801509 315375043 /nfs/dbraw/zinc/37/50/43/315375043.db2.gz UHLJLMIERRIHIK-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000566801509 315375044 /nfs/dbraw/zinc/37/50/44/315375044.db2.gz UHLJLMIERRIHIK-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000566801509 315375046 /nfs/dbraw/zinc/37/50/46/315375046.db2.gz UHLJLMIERRIHIK-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000566912605 315382813 /nfs/dbraw/zinc/38/28/13/315382813.db2.gz ORLPBCTVXDJZCO-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1sccc1Br ZINC000567041481 315391531 /nfs/dbraw/zinc/39/15/31/315391531.db2.gz GDOJLQDWAFIVGX-VIFPVBQESA-N 2 2 303.269 3.303 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000567147696 315399607 /nfs/dbraw/zinc/39/96/07/315399607.db2.gz XCKOKCMCDLGJCS-GFCCVEGCSA-N 2 2 307.800 3.245 20 0 DGADLP Cc1[nH+]cc(CNc2cccc(-c3ccc4c(c3)CCO4)[nH+]2)n1C ZINC000568260055 315497260 /nfs/dbraw/zinc/49/72/60/315497260.db2.gz NHOIVCRDBXTIKQ-UHFFFAOYSA-N 2 2 320.396 3.338 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)n1C ZINC000568269267 315497564 /nfs/dbraw/zinc/49/75/64/315497564.db2.gz FKZOQGXQBRVSTE-OAHLLOKOSA-N 2 2 305.809 3.385 20 0 DGADLP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000568703581 315530261 /nfs/dbraw/zinc/53/02/61/315530261.db2.gz LPUDJLLHCPNVOJ-KDOFPFPSSA-N 2 2 308.429 3.099 20 0 DGADLP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000568703582 315530343 /nfs/dbraw/zinc/53/03/43/315530343.db2.gz LPUDJLLHCPNVOJ-KSSFIOAISA-N 2 2 308.429 3.099 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000573228066 315849978 /nfs/dbraw/zinc/84/99/78/315849978.db2.gz SBMHAAMQWYKFTN-OAHLLOKOSA-N 2 2 319.836 3.473 20 0 DGADLP C[C@@H](C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1 ZINC000574634240 315985326 /nfs/dbraw/zinc/98/53/26/315985326.db2.gz QYGWNCQDCRBDRB-KRWDZBQOSA-N 2 2 308.469 3.479 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000575882923 316072226 /nfs/dbraw/zinc/07/22/26/316072226.db2.gz DTMLSFIKPPTXIA-LRYGQEGESA-N 2 2 324.509 3.208 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000575988737 316083409 /nfs/dbraw/zinc/08/34/09/316083409.db2.gz XZWDNFRQTZHVOZ-QZTJIDSGSA-N 2 2 318.509 3.361 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000575988737 316083411 /nfs/dbraw/zinc/08/34/11/316083411.db2.gz XZWDNFRQTZHVOZ-QZTJIDSGSA-N 2 2 318.509 3.361 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000576035106 316087590 /nfs/dbraw/zinc/08/75/90/316087590.db2.gz CVMCWDBSDFNKBU-HXUWFJFHSA-N 2 2 324.424 3.445 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)cc2)c1C ZINC000576403657 316127117 /nfs/dbraw/zinc/12/71/17/316127117.db2.gz WJGKFONBIGOKQS-CYBMUJFWSA-N 2 2 323.400 3.275 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000576992210 316189639 /nfs/dbraw/zinc/18/96/39/316189639.db2.gz HAGGBEQALZECDK-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000576992210 316189644 /nfs/dbraw/zinc/18/96/44/316189644.db2.gz HAGGBEQALZECDK-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)n2c1 ZINC000577185317 316211018 /nfs/dbraw/zinc/21/10/18/316211018.db2.gz HZFZPGNGJNXLGJ-CRAIPNDOSA-N 2 2 322.412 3.048 20 0 DGADLP CC[NH2+]CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000577274098 316219946 /nfs/dbraw/zinc/21/99/46/316219946.db2.gz BQDLRNDCHNXLPP-ZDUSSCGKSA-N 2 2 315.230 3.165 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cncc(Br)c1 ZINC000577413086 316233860 /nfs/dbraw/zinc/23/38/60/316233860.db2.gz WWRUFJLIFSUBOS-LBPRGKRZSA-N 2 2 323.238 3.172 20 0 DGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)Oc1ccccc1Cl ZINC000577411966 316234165 /nfs/dbraw/zinc/23/41/65/316234165.db2.gz MRWJQOHRDDDHDP-AWEZNQCLSA-N 2 2 307.825 3.329 20 0 DGADLP C[N@H+](CCN1CCC(Nc2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000577974175 316290349 /nfs/dbraw/zinc/29/03/49/316290349.db2.gz IVMZBVBUCDUVRO-UHFFFAOYSA-N 2 2 324.472 3.090 20 0 DGADLP C[N@@H+](CCN1CCC(Nc2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000577974175 316290354 /nfs/dbraw/zinc/29/03/54/316290354.db2.gz IVMZBVBUCDUVRO-UHFFFAOYSA-N 2 2 324.472 3.090 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180062866 323220753 /nfs/dbraw/zinc/22/07/53/323220753.db2.gz WTDBZFCYNTXEKY-OAHLLOKOSA-N 2 2 309.413 3.406 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108700 323325315 /nfs/dbraw/zinc/32/53/15/323325315.db2.gz IBMLRRKGLWZYMC-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108700 323325318 /nfs/dbraw/zinc/32/53/18/323325318.db2.gz IBMLRRKGLWZYMC-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108700 323325321 /nfs/dbraw/zinc/32/53/21/323325321.db2.gz IBMLRRKGLWZYMC-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183108700 323325324 /nfs/dbraw/zinc/32/53/24/323325324.db2.gz IBMLRRKGLWZYMC-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](c1[nH+]ccn1C)C1CC1)CC(C)C ZINC000183243249 323330737 /nfs/dbraw/zinc/33/07/37/323330737.db2.gz GGFGQVTVLXQINE-DLBZAZTESA-N 2 2 306.498 3.217 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc2)nc1 ZINC000183311358 323333554 /nfs/dbraw/zinc/33/35/54/323333554.db2.gz FRZPJNWDKUOZJG-LJQANCHMSA-N 2 2 313.420 3.386 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C[C@@]3(C)C(C)C)c2cc1C ZINC000580185773 323968273 /nfs/dbraw/zinc/96/82/73/323968273.db2.gz VWLURRMHZQSJNV-MNEFBYGVSA-N 2 2 315.461 3.038 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000580771620 324037263 /nfs/dbraw/zinc/03/72/63/324037263.db2.gz QBQFMCKGCQAWII-ROUUACIJSA-N 2 2 318.367 3.331 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000580952741 324057092 /nfs/dbraw/zinc/05/70/92/324057092.db2.gz RXOPEMMEZAFZOR-DOTOQJQBSA-N 2 2 300.446 3.049 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000580952741 324057094 /nfs/dbraw/zinc/05/70/94/324057094.db2.gz RXOPEMMEZAFZOR-DOTOQJQBSA-N 2 2 300.446 3.049 20 0 DGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@H](c1ccccc1)[NH+](C)C ZINC000581164605 324081731 /nfs/dbraw/zinc/08/17/31/324081731.db2.gz WELWOWVUNLPYSU-IFXJQAMLSA-N 2 2 306.413 3.155 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@H](c4ccncc4)C3)n2c1 ZINC000581588503 324132980 /nfs/dbraw/zinc/13/29/80/324132980.db2.gz PGUHDYKCSTXBHD-WMZOPIPTSA-N 2 2 322.412 3.048 20 0 DGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[nH]1 ZINC000581601928 324134653 /nfs/dbraw/zinc/13/46/53/324134653.db2.gz AKJMBGGOKJGTHJ-IMJJTQAJSA-N 2 2 313.449 3.072 20 0 DGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)[nH]1 ZINC000581601927 324134895 /nfs/dbraw/zinc/13/48/95/324134895.db2.gz AKJMBGGOKJGTHJ-CWRNSKLLSA-N 2 2 313.449 3.072 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C/C=C/c2ccc(Br)cc2)n1C ZINC000581677551 324143829 /nfs/dbraw/zinc/14/38/29/324143829.db2.gz FTQANVVIAZXQIN-ONEGZZNKSA-N 2 2 320.234 3.294 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000581736155 324151854 /nfs/dbraw/zinc/15/18/54/324151854.db2.gz MZSIBRAIDFYVMK-OAHLLOKOSA-N 2 2 324.472 3.273 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000581736155 324151857 /nfs/dbraw/zinc/15/18/57/324151857.db2.gz MZSIBRAIDFYVMK-OAHLLOKOSA-N 2 2 324.472 3.273 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892024 324165584 /nfs/dbraw/zinc/16/55/84/324165584.db2.gz WEEPUQNZTZNZMC-CMPLNLGQSA-N 2 2 320.330 3.078 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000581892024 324165586 /nfs/dbraw/zinc/16/55/86/324165586.db2.gz WEEPUQNZTZNZMC-CMPLNLGQSA-N 2 2 320.330 3.078 20 0 DGADLP Cc1cnccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000582945239 324294480 /nfs/dbraw/zinc/29/44/80/324294480.db2.gz OEOCGATUUCDUNX-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c(C)s1 ZINC000583360238 324342755 /nfs/dbraw/zinc/34/27/55/324342755.db2.gz YFGMJUFHCVJZPD-CYBMUJFWSA-N 2 2 308.491 3.050 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c(C)s1 ZINC000583360238 324342757 /nfs/dbraw/zinc/34/27/57/324342757.db2.gz YFGMJUFHCVJZPD-CYBMUJFWSA-N 2 2 308.491 3.050 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CSCC1CC[NH2+]CC1 ZINC000583750671 324392594 /nfs/dbraw/zinc/39/25/94/324392594.db2.gz DVGVTSULOZHBDM-UHFFFAOYSA-N 2 2 301.459 3.414 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000584267077 332176826 /nfs/dbraw/zinc/17/68/26/332176826.db2.gz SYTUNFXXJRUOTD-OAHLLOKOSA-N 2 2 319.449 3.078 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423445786 500588960 /nfs/dbraw/zinc/58/89/60/500588960.db2.gz YQDGPIHNBKCOBB-VBKZILBWSA-N 2 2 323.440 3.183 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000442870193 533857243 /nfs/dbraw/zinc/85/72/43/533857243.db2.gz FVJTXCXAGQPFGZ-ZWKOTPCHSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCCOC1 ZINC000442870191 533857336 /nfs/dbraw/zinc/85/73/36/533857336.db2.gz FVJTXCXAGQPFGZ-ROUUACIJSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000442876493 533857566 /nfs/dbraw/zinc/85/75/66/533857566.db2.gz RJGSJLYEOKOPSW-KRWDZBQOSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415028322 533869022 /nfs/dbraw/zinc/86/90/22/533869022.db2.gz YOZIPNBOXVKXEY-CQSZACIVSA-N 3 2 309.885 3.021 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000428214075 533876870 /nfs/dbraw/zinc/87/68/70/533876870.db2.gz BEMMDZJORBVLJU-LPHOPBHVSA-N 2 2 313.445 3.021 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)s1 ZINC000328643592 533904973 /nfs/dbraw/zinc/90/49/73/533904973.db2.gz RMEFHKZKJRANFM-CQSZACIVSA-N 2 2 321.515 3.433 20 0 DGADLP Cc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)s1 ZINC000328643592 533904981 /nfs/dbraw/zinc/90/49/81/533904981.db2.gz RMEFHKZKJRANFM-CQSZACIVSA-N 2 2 321.515 3.433 20 0 DGADLP COc1ccccc1/C=C/C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415053647 533950436 /nfs/dbraw/zinc/95/04/36/533950436.db2.gz OYLCUFMHTKAZTE-MLLMCGKQSA-N 2 2 308.425 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000431647356 533950831 /nfs/dbraw/zinc/95/08/31/533950831.db2.gz CSFZUIRLWCJGGA-NEWSRXKRSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000431647356 533950834 /nfs/dbraw/zinc/95/08/34/533950834.db2.gz CSFZUIRLWCJGGA-NEWSRXKRSA-N 2 2 314.473 3.056 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H]3CC[C@H](C)C3)c2cc1C ZINC000429573284 534138878 /nfs/dbraw/zinc/13/88/78/534138878.db2.gz YUESCCKEXGFSMC-RRQGHBQHSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H]3CC[C@H](C)C3)c2cc1C ZINC000429573284 534138887 /nfs/dbraw/zinc/13/88/87/534138887.db2.gz YUESCCKEXGFSMC-RRQGHBQHSA-N 2 2 315.461 3.134 20 0 DGADLP FC(F)(F)c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C(F)(F)F)c1 ZINC000415021634 534414993 /nfs/dbraw/zinc/41/49/93/534414993.db2.gz CFISKLOPDGMHPC-GDNZZTSVSA-N 2 2 324.268 3.032 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCn1cccn1)c1ccccc1 ZINC000157461969 520868981 /nfs/dbraw/zinc/86/89/81/520868981.db2.gz CZEUCIALOMDZFA-IEBWSBKVSA-N 2 2 314.477 3.334 20 0 DGADLP [NH3+]C1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000435377856 534567017 /nfs/dbraw/zinc/56/70/17/534567017.db2.gz FWJDGQLZRKCQNC-UHFFFAOYSA-N 2 2 313.426 3.479 20 0 DGADLP CC[NH+]1CCN(Cc2ccccc2CNc2cccc(C)[nH+]2)CC1 ZINC000157059049 521689261 /nfs/dbraw/zinc/68/92/61/521689261.db2.gz QWNGIKUMPNGTLV-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP CCN1CC[NH+](Cc2ccccc2CNc2cccc(C)[nH+]2)CC1 ZINC000157059049 521689266 /nfs/dbraw/zinc/68/92/66/521689266.db2.gz QWNGIKUMPNGTLV-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP Cc1nc(NC2CC[NH+](C(C)(C)C)CC2)c2c([nH+]1)CCCC2 ZINC000302058927 534622313 /nfs/dbraw/zinc/62/23/13/534622313.db2.gz RWMRWCWDXYGGCF-UHFFFAOYSA-N 2 2 302.466 3.339 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)on2)cc1 ZINC000428029423 534633317 /nfs/dbraw/zinc/63/33/17/534633317.db2.gz ANTLBFCBSDINLA-XJKSGUPXSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)on2)cc1 ZINC000428029423 534633321 /nfs/dbraw/zinc/63/33/21/534633321.db2.gz ANTLBFCBSDINLA-XJKSGUPXSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)s2)cc1 ZINC000415093345 534633596 /nfs/dbraw/zinc/63/35/96/534633596.db2.gz HXBHUROHSMMTGP-CQSZACIVSA-N 2 2 322.861 3.147 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604843 534643630 /nfs/dbraw/zinc/64/36/30/534643630.db2.gz OMFYXRMXNNOKAE-HZPDHXFCSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604843 534643636 /nfs/dbraw/zinc/64/36/36/534643636.db2.gz OMFYXRMXNNOKAE-HZPDHXFCSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433340004 534689782 /nfs/dbraw/zinc/68/97/82/534689782.db2.gz NSNLVRCUTZJYAX-UHFFFAOYSA-N 2 2 321.384 3.118 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)n1-c1ccccc1 ZINC000415026488 534741818 /nfs/dbraw/zinc/74/18/18/534741818.db2.gz TYQGQDOYMJSFBB-QAQDUYKDSA-N 3 2 312.461 3.035 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H]1C[N@H+](C)CCO1 ZINC000154827192 525722975 /nfs/dbraw/zinc/72/29/75/525722975.db2.gz MRFBJXDBFWCJIP-BDJLRTHQSA-N 2 2 305.809 3.019 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000154827192 525722982 /nfs/dbraw/zinc/72/29/82/525722982.db2.gz MRFBJXDBFWCJIP-BDJLRTHQSA-N 2 2 305.809 3.019 20 0 DGADLP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156380244 526543619 /nfs/dbraw/zinc/54/36/19/526543619.db2.gz XMUQVUXSKNJFFH-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP c1cnc2c(c1)cccc2C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156380244 526543626 /nfs/dbraw/zinc/54/36/26/526543626.db2.gz XMUQVUXSKNJFFH-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000415061093 526621016 /nfs/dbraw/zinc/62/10/16/526621016.db2.gz XWPMCBDGHXUNQP-CQSZACIVSA-N 2 2 307.438 3.412 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415037668 526818827 /nfs/dbraw/zinc/81/88/27/526818827.db2.gz HCHHVAOTRVIQCF-KBPBESRZSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415037668 526818831 /nfs/dbraw/zinc/81/88/31/526818831.db2.gz HCHHVAOTRVIQCF-KBPBESRZSA-N 2 2 307.507 3.405 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000430571953 527170678 /nfs/dbraw/zinc/17/06/78/527170678.db2.gz DWWYBAJREBZHJH-KPZWWZAWSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000430571953 527170681 /nfs/dbraw/zinc/17/06/81/527170681.db2.gz DWWYBAJREBZHJH-KPZWWZAWSA-N 2 2 302.462 3.374 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000430589857 527259813 /nfs/dbraw/zinc/25/98/13/527259813.db2.gz JFOBGCYURFXEQQ-CYBMUJFWSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000430589857 527259820 /nfs/dbraw/zinc/25/98/20/527259820.db2.gz JFOBGCYURFXEQQ-CYBMUJFWSA-N 2 2 320.824 3.254 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000294869491 527355137 /nfs/dbraw/zinc/35/51/37/527355137.db2.gz DPMIFSHMEJAEPK-IBGZPJMESA-N 2 2 300.446 3.340 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000294869491 527355143 /nfs/dbraw/zinc/35/51/43/527355143.db2.gz DPMIFSHMEJAEPK-IBGZPJMESA-N 2 2 300.446 3.340 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000189509826 527881147 /nfs/dbraw/zinc/88/11/47/527881147.db2.gz SLKRZGZRUKILKW-UYSNPLJNSA-N 2 2 308.491 3.431 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443978627 527963761 /nfs/dbraw/zinc/96/37/61/527963761.db2.gz MCRWGHBMMWDRCK-UHFFFAOYSA-N 2 2 321.412 3.372 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)n2)cc1 ZINC000430969996 528054456 /nfs/dbraw/zinc/05/44/56/528054456.db2.gz FQMDQLPEBKPQOO-BBRMVZONSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)n2)cc1 ZINC000430969996 528054461 /nfs/dbraw/zinc/05/44/61/528054461.db2.gz FQMDQLPEBKPQOO-BBRMVZONSA-N 2 2 314.433 3.029 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCC2 ZINC000181672953 528097586 /nfs/dbraw/zinc/09/75/86/528097586.db2.gz LQFUQYFKPIXZTE-CVEARBPZSA-N 2 2 303.450 3.211 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000316443348 528175742 /nfs/dbraw/zinc/17/57/42/528175742.db2.gz AABMQYWWNYSGKP-QGZVFWFLSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000316443348 528175748 /nfs/dbraw/zinc/17/57/48/528175748.db2.gz AABMQYWWNYSGKP-QGZVFWFLSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000320556923 528203965 /nfs/dbraw/zinc/20/39/65/528203965.db2.gz JPEWTPZXKHIIJU-CQSZACIVSA-N 2 2 316.449 3.124 20 0 DGADLP CC1CC[NH+](CCCCNc2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431022975 528232365 /nfs/dbraw/zinc/23/23/65/528232365.db2.gz PTMVOJYTYIEHCY-UHFFFAOYSA-N 2 2 318.440 3.058 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415070884 528388865 /nfs/dbraw/zinc/38/88/65/528388865.db2.gz RLFMSWIIFDIBKY-KRWDZBQOSA-N 2 2 312.461 3.227 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423381553 528423620 /nfs/dbraw/zinc/42/36/20/528423620.db2.gz NQYMMNYUCHHNPB-HZPDHXFCSA-N 2 2 314.477 3.446 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000309695456 528787678 /nfs/dbraw/zinc/78/76/78/528787678.db2.gz DVSNBHMKBMJRRL-LMCOJAPRSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000309695456 528787687 /nfs/dbraw/zinc/78/76/87/528787687.db2.gz DVSNBHMKBMJRRL-LMCOJAPRSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000430580231 528860552 /nfs/dbraw/zinc/86/05/52/528860552.db2.gz LOXWCBDVMVXFRV-MRXNPFEDSA-N 2 2 307.438 3.412 20 0 DGADLP CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435627494 528887423 /nfs/dbraw/zinc/88/74/23/528887423.db2.gz RQVPXONPFYHDJD-MRXNPFEDSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435627494 528887427 /nfs/dbraw/zinc/88/74/27/528887427.db2.gz RQVPXONPFYHDJD-MRXNPFEDSA-N 2 2 317.408 3.445 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2nc3ccc(F)cc3s2)CC1 ZINC000432756679 528973621 /nfs/dbraw/zinc/97/36/21/528973621.db2.gz ZLGVTSBDZWGUKX-UHFFFAOYSA-N 2 2 307.438 3.352 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2nc3ccc(F)cc3s2)CC1 ZINC000432756679 528973626 /nfs/dbraw/zinc/97/36/26/528973626.db2.gz ZLGVTSBDZWGUKX-UHFFFAOYSA-N 2 2 307.438 3.352 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000430590694 529046769 /nfs/dbraw/zinc/04/67/69/529046769.db2.gz LSWSGFJAYYDJSJ-UKRRQHHQSA-N 2 2 302.422 3.103 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000430590694 529046774 /nfs/dbraw/zinc/04/67/74/529046774.db2.gz LSWSGFJAYYDJSJ-UKRRQHHQSA-N 2 2 302.422 3.103 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cn1 ZINC000432420460 529120353 /nfs/dbraw/zinc/12/03/53/529120353.db2.gz BKMSZHKGVOAEIL-QAPCUYQASA-N 2 2 323.456 3.008 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cn1 ZINC000432420460 529120355 /nfs/dbraw/zinc/12/03/55/529120355.db2.gz BKMSZHKGVOAEIL-QAPCUYQASA-N 2 2 323.456 3.008 20 0 DGADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]2CCC[C@H]2O1 ZINC000442956635 529123361 /nfs/dbraw/zinc/12/33/61/529123361.db2.gz PLNYNHWUDPFJCP-HZPDHXFCSA-N 2 2 317.458 3.466 20 0 DGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]2CCC[C@H]2O1 ZINC000442956635 529123362 /nfs/dbraw/zinc/12/33/62/529123362.db2.gz PLNYNHWUDPFJCP-HZPDHXFCSA-N 2 2 317.458 3.466 20 0 DGADLP CCSCCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423115567 529177935 /nfs/dbraw/zinc/17/79/35/529177935.db2.gz NNYWPBCFLIBGDD-IAGOWNOFSA-N 2 2 308.491 3.221 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089960 534949041 /nfs/dbraw/zinc/94/90/41/534949041.db2.gz FPBXDXSDOXNRHD-FZMZJTMJSA-N 2 2 312.379 3.413 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089960 534949043 /nfs/dbraw/zinc/94/90/43/534949043.db2.gz FPBXDXSDOXNRHD-FZMZJTMJSA-N 2 2 312.379 3.413 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471798454 535215252 /nfs/dbraw/zinc/21/52/52/535215252.db2.gz KJOVYPXUHKLVMV-FUHWJXTLSA-N 2 2 304.478 3.180 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471798454 535215261 /nfs/dbraw/zinc/21/52/61/535215261.db2.gz KJOVYPXUHKLVMV-FUHWJXTLSA-N 2 2 304.478 3.180 20 0 DGADLP CCO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451527413 535630839 /nfs/dbraw/zinc/63/08/39/535630839.db2.gz HKQMBJKPTWYBCO-LPHOPBHVSA-N 2 2 313.445 3.428 20 0 DGADLP CCO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451527413 535630844 /nfs/dbraw/zinc/63/08/44/535630844.db2.gz HKQMBJKPTWYBCO-LPHOPBHVSA-N 2 2 313.445 3.428 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495091461 537042529 /nfs/dbraw/zinc/04/25/29/537042529.db2.gz SKHRNPUPYNJYCC-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495091461 537042530 /nfs/dbraw/zinc/04/25/30/537042530.db2.gz SKHRNPUPYNJYCC-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000495091461 537042531 /nfs/dbraw/zinc/04/25/31/537042531.db2.gz SKHRNPUPYNJYCC-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000495091461 537042532 /nfs/dbraw/zinc/04/25/32/537042532.db2.gz SKHRNPUPYNJYCC-QFBILLFUSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495091460 537042987 /nfs/dbraw/zinc/04/29/87/537042987.db2.gz SKHRNPUPYNJYCC-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495091460 537042991 /nfs/dbraw/zinc/04/29/91/537042991.db2.gz SKHRNPUPYNJYCC-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000495091460 537042995 /nfs/dbraw/zinc/04/29/95/537042995.db2.gz SKHRNPUPYNJYCC-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495091460 537042999 /nfs/dbraw/zinc/04/29/99/537042999.db2.gz SKHRNPUPYNJYCC-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP CCc1ncc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)s1 ZINC000037923945 545675120 /nfs/dbraw/zinc/67/51/20/545675120.db2.gz HTZIHBLCHJJUSO-UHFFFAOYSA-N 2 2 300.431 3.153 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000090717820 545830594 /nfs/dbraw/zinc/83/05/94/545830594.db2.gz DRKSFSJYIWTXNJ-ROUUACIJSA-N 2 2 302.462 3.054 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000090717820 545830598 /nfs/dbraw/zinc/83/05/98/545830598.db2.gz DRKSFSJYIWTXNJ-ROUUACIJSA-N 2 2 302.462 3.054 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866239 545860061 /nfs/dbraw/zinc/86/00/61/545860061.db2.gz WSRDBRQRLWAESQ-CQSZACIVSA-N 2 2 301.415 3.069 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866239 545860066 /nfs/dbraw/zinc/86/00/66/545860066.db2.gz WSRDBRQRLWAESQ-CQSZACIVSA-N 2 2 301.415 3.069 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125260364 545916203 /nfs/dbraw/zinc/91/62/03/545916203.db2.gz SMRQEYVUIBXGGJ-ZDUSSCGKSA-N 2 2 303.356 3.243 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3cccc(C)c3[nH+]1)CC2 ZINC000156304405 546033346 /nfs/dbraw/zinc/03/33/46/546033346.db2.gz MKUCGGIUFFVQRL-LJQANCHMSA-N 2 2 321.424 3.471 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000161602226 546071667 /nfs/dbraw/zinc/07/16/67/546071667.db2.gz CCAGVRSWPQUMFK-XLIONFOSSA-N 2 2 315.505 3.113 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000163679948 546083490 /nfs/dbraw/zinc/08/34/90/546083490.db2.gz POPDMEBYVSKZGE-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(Cl)cc1 ZINC000163739803 546084182 /nfs/dbraw/zinc/08/41/82/546084182.db2.gz QFFYACRJAQVKLH-KRWDZBQOSA-N 2 2 310.869 3.492 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000163721316 546084302 /nfs/dbraw/zinc/08/43/02/546084302.db2.gz KTZPWEMHXXNVRD-IBGZPJMESA-N 2 2 302.462 3.155 20 0 DGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(Cl)cc1 ZINC000163739923 546084423 /nfs/dbraw/zinc/08/44/23/546084423.db2.gz QFFYACRJAQVKLH-QGZVFWFLSA-N 2 2 310.869 3.492 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000163730018 546084812 /nfs/dbraw/zinc/08/48/12/546084812.db2.gz ROZYCFWIPAXZDD-QGZVFWFLSA-N 2 2 308.853 3.028 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166161679 546094897 /nfs/dbraw/zinc/09/48/97/546094897.db2.gz ITOBCSXKTWRNBV-UYAOXDASSA-N 2 2 316.489 3.476 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166425742 546095815 /nfs/dbraw/zinc/09/58/15/546095815.db2.gz QRZPXBCBTNAZSE-BBWFWOEESA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166425742 546095819 /nfs/dbraw/zinc/09/58/19/546095819.db2.gz QRZPXBCBTNAZSE-BBWFWOEESA-N 2 2 306.450 3.210 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[NH+](C)C ZINC000178406673 546128866 /nfs/dbraw/zinc/12/88/66/546128866.db2.gz WNNRNPCYTVFPPV-HNNXBMFYSA-N 2 2 314.433 3.041 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)c2c[nH]nc2C)[NH+](C)C)cc1 ZINC000179960263 546140490 /nfs/dbraw/zinc/14/04/90/546140490.db2.gz KUIOHGHGQMEPKD-ACJLOTCBSA-N 2 2 300.450 3.234 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000180101074 546140968 /nfs/dbraw/zinc/14/09/68/546140968.db2.gz WKPWYFCXMTTZAZ-OAHLLOKOSA-N 2 2 312.461 3.076 20 0 DGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000180031506 546141135 /nfs/dbraw/zinc/14/11/35/546141135.db2.gz ZTUQVCVGLPMSJW-KRWDZBQOSA-N 2 2 318.509 3.071 20 0 DGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000180031506 546141138 /nfs/dbraw/zinc/14/11/38/546141138.db2.gz ZTUQVCVGLPMSJW-KRWDZBQOSA-N 2 2 318.509 3.071 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000180540704 546145716 /nfs/dbraw/zinc/14/57/16/546145716.db2.gz GSARXNREBGLPJN-ZIAGYGMSSA-N 2 2 300.450 3.498 20 0 DGADLP CCc1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nc(C)[nH+]1 ZINC000185484280 546187374 /nfs/dbraw/zinc/18/73/74/546187374.db2.gz FIAMTTNAEBWBPW-ZDUSSCGKSA-N 2 2 316.474 3.292 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000236948167 546283038 /nfs/dbraw/zinc/28/30/38/546283038.db2.gz SFGOYOYIMGSPTM-UHFFFAOYSA-N 2 2 314.433 3.416 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(Br)cs2)CC[C@H]1[NH3+] ZINC000251597181 546329915 /nfs/dbraw/zinc/32/99/15/546329915.db2.gz CXPDIHCJDYQOQN-JOYOIKCWSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)cs2)CC[C@H]1[NH3+] ZINC000251597181 546329920 /nfs/dbraw/zinc/32/99/20/546329920.db2.gz CXPDIHCJDYQOQN-JOYOIKCWSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000251698411 546330182 /nfs/dbraw/zinc/33/01/82/546330182.db2.gz IUDJJFKNHURCMI-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000251698411 546330186 /nfs/dbraw/zinc/33/01/86/546330186.db2.gz IUDJJFKNHURCMI-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252718259 546332043 /nfs/dbraw/zinc/33/20/43/546332043.db2.gz DMSJNWVLTXPVCH-BXUZGUMPSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252718259 546332046 /nfs/dbraw/zinc/33/20/46/546332046.db2.gz DMSJNWVLTXPVCH-BXUZGUMPSA-N 2 2 304.331 3.404 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1[nH]cc[nH+]1)Cc1ccccc1 ZINC000285604386 546398534 /nfs/dbraw/zinc/39/85/34/546398534.db2.gz JXXQHMPVDXCKIH-RDJZCZTQSA-N 2 2 300.450 3.013 20 0 DGADLP Cn1c[nH+]cc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000289706016 546413829 /nfs/dbraw/zinc/41/38/29/546413829.db2.gz DVOWRHHBOGKFQL-UHFFFAOYSA-N 2 2 320.643 3.187 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cscc1Br ZINC000304588538 546440976 /nfs/dbraw/zinc/44/09/76/546440976.db2.gz PCFOXYIQZYACMS-UHFFFAOYSA-N 2 2 305.285 3.331 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cscc1Br ZINC000304588538 546440979 /nfs/dbraw/zinc/44/09/79/546440979.db2.gz PCFOXYIQZYACMS-UHFFFAOYSA-N 2 2 305.285 3.331 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)co2)cc1 ZINC000339074027 546533127 /nfs/dbraw/zinc/53/31/27/546533127.db2.gz IAFAHBSRNQCHLA-WMZOPIPTSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)co2)cc1 ZINC000339074027 546533128 /nfs/dbraw/zinc/53/31/28/546533128.db2.gz IAFAHBSRNQCHLA-WMZOPIPTSA-N 2 2 311.429 3.366 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339068583 546533635 /nfs/dbraw/zinc/53/36/35/546533635.db2.gz RKINOLYTRJWBGI-QYZOEREBSA-N 3 2 307.526 3.103 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339068583 546533642 /nfs/dbraw/zinc/53/36/42/546533642.db2.gz RKINOLYTRJWBGI-QYZOEREBSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CCOC ZINC000343697391 546567225 /nfs/dbraw/zinc/56/72/25/546567225.db2.gz YZUXIHMKKRSIMJ-INIZCTEOSA-N 2 2 305.466 3.045 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CCOC ZINC000343697391 546567230 /nfs/dbraw/zinc/56/72/30/546567230.db2.gz YZUXIHMKKRSIMJ-INIZCTEOSA-N 2 2 305.466 3.045 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000347210655 546582976 /nfs/dbraw/zinc/58/29/76/546582976.db2.gz XSCUNEBQJRSXLD-SJLPKXTDSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000347210655 546582982 /nfs/dbraw/zinc/58/29/82/546582982.db2.gz XSCUNEBQJRSXLD-SJLPKXTDSA-N 2 2 314.473 3.341 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)Cc2cccc(F)c2)nc(C)[nH+]1 ZINC000359702172 546710732 /nfs/dbraw/zinc/71/07/32/546710732.db2.gz FGPCNLIDACMTNP-UHFFFAOYSA-N 2 2 316.424 3.055 20 0 DGADLP CCc1cc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000359712116 546711375 /nfs/dbraw/zinc/71/13/75/546711375.db2.gz CAPWZNXBWPQQCM-VBQJREDUSA-N 2 2 302.466 3.189 20 0 DGADLP CCc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000359712116 546711378 /nfs/dbraw/zinc/71/13/78/546711378.db2.gz CAPWZNXBWPQQCM-VBQJREDUSA-N 2 2 302.466 3.189 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000381051772 546737361 /nfs/dbraw/zinc/73/73/61/546737361.db2.gz HJEBCQAQKDLITP-IERDGZPVSA-N 2 2 306.453 3.406 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000381051772 546737368 /nfs/dbraw/zinc/73/73/68/546737368.db2.gz HJEBCQAQKDLITP-IERDGZPVSA-N 2 2 306.453 3.406 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000381116439 546737850 /nfs/dbraw/zinc/73/78/50/546737850.db2.gz DDMSHOFBWLIPPJ-QXAKKESOSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000381116439 546737853 /nfs/dbraw/zinc/73/78/53/546737853.db2.gz DDMSHOFBWLIPPJ-QXAKKESOSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1CC[NH+](C)CC1 ZINC000386470062 546745963 /nfs/dbraw/zinc/74/59/63/546745963.db2.gz VHHGMECQAJWWSV-HNNXBMFYSA-N 2 2 302.466 3.214 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232427 546751452 /nfs/dbraw/zinc/75/14/52/546751452.db2.gz IUZCKGKMQLYFQQ-HZPDHXFCSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232427 546751454 /nfs/dbraw/zinc/75/14/54/546751454.db2.gz IUZCKGKMQLYFQQ-HZPDHXFCSA-N 2 2 306.450 3.229 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453347909 546860282 /nfs/dbraw/zinc/86/02/82/546860282.db2.gz GBEVHXYLBSZQAZ-KFKAGJAMSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453347909 546860285 /nfs/dbraw/zinc/86/02/85/546860285.db2.gz GBEVHXYLBSZQAZ-KFKAGJAMSA-N 2 2 312.461 3.389 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000667119197 547096418 /nfs/dbraw/zinc/09/64/18/547096418.db2.gz LNYBPNRJFQCNHS-OAHLLOKOSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000667119197 547096423 /nfs/dbraw/zinc/09/64/23/547096423.db2.gz LNYBPNRJFQCNHS-OAHLLOKOSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)[nH+]1 ZINC000667119694 547097880 /nfs/dbraw/zinc/09/78/80/547097880.db2.gz ZYYQJPQXHBWJFE-AWEZNQCLSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C)[nH+]1 ZINC000667119694 547097883 /nfs/dbraw/zinc/09/78/83/547097883.db2.gz ZYYQJPQXHBWJFE-AWEZNQCLSA-N 2 2 304.438 3.001 20 0 DGADLP FC(F)(F)[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667475821 547196418 /nfs/dbraw/zinc/19/64/18/547196418.db2.gz BHDZTQIBRJQMGX-LBPRGKRZSA-N 2 2 310.323 3.042 20 0 DGADLP FC(F)(F)[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667475821 547196423 /nfs/dbraw/zinc/19/64/23/547196423.db2.gz BHDZTQIBRJQMGX-LBPRGKRZSA-N 2 2 310.323 3.042 20 0 DGADLP Cc1ccc(OC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667516736 547210167 /nfs/dbraw/zinc/21/01/67/547210167.db2.gz GPBHEYYCJLITDD-UHFFFAOYSA-N 2 2 311.429 3.181 20 0 DGADLP Clc1ccc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667627922 547249242 /nfs/dbraw/zinc/24/92/42/547249242.db2.gz QKBSYXOPVXRLOE-CQSZACIVSA-N 2 2 301.821 3.472 20 0 DGADLP Clc1ccc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667627922 547249244 /nfs/dbraw/zinc/24/92/44/547249244.db2.gz QKBSYXOPVXRLOE-CQSZACIVSA-N 2 2 301.821 3.472 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)n1C ZINC000667644317 547255697 /nfs/dbraw/zinc/25/56/97/547255697.db2.gz DUJFORKEONCUHS-KRWDZBQOSA-N 2 2 301.459 3.327 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)n1C ZINC000667644317 547255701 /nfs/dbraw/zinc/25/57/01/547255701.db2.gz DUJFORKEONCUHS-KRWDZBQOSA-N 2 2 301.459 3.327 20 0 DGADLP CCO[C@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668347 547267875 /nfs/dbraw/zinc/26/78/75/547267875.db2.gz KLAAETJFZWTBOR-IRXDYDNUSA-N 2 2 305.466 3.288 20 0 DGADLP CCO[C@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C12CCCCC2 ZINC000667668347 547267879 /nfs/dbraw/zinc/26/78/79/547267879.db2.gz KLAAETJFZWTBOR-IRXDYDNUSA-N 2 2 305.466 3.288 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000667762499 547295320 /nfs/dbraw/zinc/29/53/20/547295320.db2.gz ZABVUBBUYWMAMV-QYZOEREBSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCC1 ZINC000668214871 547416980 /nfs/dbraw/zinc/41/69/80/547416980.db2.gz NPGVITSEXKKTNG-RBUKOAKNSA-N 2 2 314.473 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCC1 ZINC000668214871 547416985 /nfs/dbraw/zinc/41/69/85/547416985.db2.gz NPGVITSEXKKTNG-RBUKOAKNSA-N 2 2 314.473 3.198 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCC1 ZINC000668214869 547417372 /nfs/dbraw/zinc/41/73/72/547417372.db2.gz NPGVITSEXKKTNG-MOPGFXCFSA-N 2 2 314.473 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCC1 ZINC000668214869 547417377 /nfs/dbraw/zinc/41/73/77/547417377.db2.gz NPGVITSEXKKTNG-MOPGFXCFSA-N 2 2 314.473 3.198 20 0 DGADLP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000668234612 547424533 /nfs/dbraw/zinc/42/45/33/547424533.db2.gz OEJUNTDVELNSEK-BXUZGUMPSA-N 2 2 305.784 3.268 20 0 DGADLP Fc1ccc(F)c(C[C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000668241506 547426495 /nfs/dbraw/zinc/42/64/95/547426495.db2.gz JPEUEJQMSRFQKH-OAHLLOKOSA-N 2 2 317.383 3.315 20 0 DGADLP Fc1ccc(F)c(C[C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000668241506 547426498 /nfs/dbraw/zinc/42/64/98/547426498.db2.gz JPEUEJQMSRFQKH-OAHLLOKOSA-N 2 2 317.383 3.315 20 0 DGADLP CCc1csc(CC2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)n1 ZINC000668296816 547437346 /nfs/dbraw/zinc/43/73/46/547437346.db2.gz YSJAXAAYRXWBKA-UHFFFAOYSA-N 2 2 318.490 3.202 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000668459580 547459610 /nfs/dbraw/zinc/45/96/10/547459610.db2.gz WEGWTMYBUGEOFA-KRWDZBQOSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000668459580 547459614 /nfs/dbraw/zinc/45/96/14/547459614.db2.gz WEGWTMYBUGEOFA-KRWDZBQOSA-N 2 2 302.462 3.017 20 0 DGADLP COC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1cccc(OC)c1 ZINC000668511942 547469859 /nfs/dbraw/zinc/46/98/59/547469859.db2.gz NKWSHCUXKSDSDD-IBGZPJMESA-N 2 2 314.429 3.309 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539783 547475196 /nfs/dbraw/zinc/47/51/96/547475196.db2.gz MHSMAJBPNZYXQB-OAHLLOKOSA-N 2 2 321.484 3.301 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539783 547475199 /nfs/dbraw/zinc/47/51/99/547475199.db2.gz MHSMAJBPNZYXQB-OAHLLOKOSA-N 2 2 321.484 3.301 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)n1C ZINC000668716011 547518712 /nfs/dbraw/zinc/51/87/12/547518712.db2.gz VWDITCRENQLGON-UHFFFAOYSA-N 2 2 311.429 3.088 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCN2Cc2ccccc2)c[nH+]1 ZINC000668763747 547533901 /nfs/dbraw/zinc/53/39/01/547533901.db2.gz BBGMBMOMVAQDRO-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785055 547541133 /nfs/dbraw/zinc/54/11/33/547541133.db2.gz MEPOWLQOZQWKBI-IBGZPJMESA-N 2 2 321.509 3.077 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785055 547541138 /nfs/dbraw/zinc/54/11/38/547541138.db2.gz MEPOWLQOZQWKBI-IBGZPJMESA-N 2 2 321.509 3.077 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)n1-c1ccccc1 ZINC000668786724 547542541 /nfs/dbraw/zinc/54/25/41/547542541.db2.gz GSKZYSYQSDINHX-MGPUTAFESA-N 2 2 321.424 3.392 20 0 DGADLP CCn1c[nH+]cc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669535416 547650720 /nfs/dbraw/zinc/65/07/20/547650720.db2.gz OGYWKSVGUNKYLS-IBGZPJMESA-N 2 2 312.461 3.220 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000669618818 547662292 /nfs/dbraw/zinc/66/22/92/547662292.db2.gz XSEIMWNMASSCQB-SFHVURJKSA-N 3 2 321.553 3.353 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)[N@@H+]1CCc2ccccc2C1 ZINC000671098901 547769516 /nfs/dbraw/zinc/76/95/16/547769516.db2.gz ZDUJTEIFPWWNCB-YJBOKZPZSA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)[N@H+]1CCc2ccccc2C1 ZINC000671098901 547769521 /nfs/dbraw/zinc/76/95/21/547769521.db2.gz ZDUJTEIFPWWNCB-YJBOKZPZSA-N 2 2 304.478 3.226 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000671293981 547784899 /nfs/dbraw/zinc/78/48/99/547784899.db2.gz KIQKJNZMTPSDJX-ATZDWAIDSA-N 2 2 302.462 3.263 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000671306512 547787042 /nfs/dbraw/zinc/78/70/42/547787042.db2.gz AZYTYAMAHQDSBH-HOCLYGCPSA-N 2 2 313.449 3.054 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000671306512 547787046 /nfs/dbraw/zinc/78/70/46/547787046.db2.gz AZYTYAMAHQDSBH-HOCLYGCPSA-N 2 2 313.449 3.054 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H]2CCC[C@@H]21 ZINC000671752956 547827645 /nfs/dbraw/zinc/82/76/45/547827645.db2.gz HKEHPJRHYOOABB-HERUPUMHSA-N 2 2 316.342 3.205 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@@H]2CCC[C@@H]21 ZINC000671752956 547827649 /nfs/dbraw/zinc/82/76/49/547827649.db2.gz HKEHPJRHYOOABB-HERUPUMHSA-N 2 2 316.342 3.205 20 0 DGADLP CCc1nc(NCc2ccc(C)[nH+]c2N2CCCC2)cc(C)[nH+]1 ZINC000672249802 547868545 /nfs/dbraw/zinc/86/85/45/547868545.db2.gz LKWJJJVRUBOMMH-UHFFFAOYSA-N 2 2 311.433 3.263 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000674233845 548048405 /nfs/dbraw/zinc/04/84/05/548048405.db2.gz QATWRMAKMMNUHE-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000674233845 548048407 /nfs/dbraw/zinc/04/84/07/548048407.db2.gz QATWRMAKMMNUHE-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322509 548061543 /nfs/dbraw/zinc/06/15/43/548061543.db2.gz SKVWAFUMUWULRM-OAHLLOKOSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322509 548061547 /nfs/dbraw/zinc/06/15/47/548061547.db2.gz SKVWAFUMUWULRM-OAHLLOKOSA-N 2 2 305.809 3.382 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000674880469 548129558 /nfs/dbraw/zinc/12/95/58/548129558.db2.gz JXXDIJSWJIOKFC-FUHIMQAGSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000674880469 548129560 /nfs/dbraw/zinc/12/95/60/548129560.db2.gz JXXDIJSWJIOKFC-FUHIMQAGSA-N 2 2 309.457 3.295 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675766065 548266798 /nfs/dbraw/zinc/26/67/98/548266798.db2.gz HIVILEKREHFQLR-QAPCUYQASA-N 2 2 317.477 3.211 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675766065 548266801 /nfs/dbraw/zinc/26/68/01/548266801.db2.gz HIVILEKREHFQLR-QAPCUYQASA-N 2 2 317.477 3.211 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000675768503 548267130 /nfs/dbraw/zinc/26/71/30/548267130.db2.gz YYNYKFCDYCQFEV-VXGBXAGGSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767247 548267224 /nfs/dbraw/zinc/26/72/24/548267224.db2.gz RVUZNFILEQPXNL-RDBSUJKOSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767247 548267227 /nfs/dbraw/zinc/26/72/27/548267227.db2.gz RVUZNFILEQPXNL-RDBSUJKOSA-N 2 2 303.475 3.472 20 0 DGADLP Cc1cc(NC2CC[NH+](CC(F)F)CC2)c2cc(F)ccc2[nH+]1 ZINC000675790461 548271987 /nfs/dbraw/zinc/27/19/87/548271987.db2.gz BVYCYAJADQNUFP-UHFFFAOYSA-N 2 2 323.362 3.246 20 0 DGADLP Cc1cccn2cc(CN3CC[NH+](C4CCCCC4)CC3)[nH+]c12 ZINC000675899595 548288340 /nfs/dbraw/zinc/28/83/40/548288340.db2.gz ATZNEXYMEHYSOV-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076845 548318254 /nfs/dbraw/zinc/31/82/54/548318254.db2.gz GHBMPGWWBAAHGX-HKUYNNGSSA-N 2 2 314.473 3.463 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076845 548318258 /nfs/dbraw/zinc/31/82/58/548318258.db2.gz GHBMPGWWBAAHGX-HKUYNNGSSA-N 2 2 314.473 3.463 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000676415437 548361244 /nfs/dbraw/zinc/36/12/44/548361244.db2.gz AMQUHSHHTYDLFK-INIZCTEOSA-N 2 2 323.396 3.265 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677749029 548549484 /nfs/dbraw/zinc/54/94/84/548549484.db2.gz GZEGHOSCRTTZHK-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000677749029 548549487 /nfs/dbraw/zinc/54/94/87/548549487.db2.gz GZEGHOSCRTTZHK-MSOLQXFVSA-N 2 2 302.462 3.198 20 0 DGADLP COCC[N@@H+]1CCC[C@@H](Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000677744966 548549656 /nfs/dbraw/zinc/54/96/56/548549656.db2.gz QTRYGQGDAAPYBB-OAHLLOKOSA-N 2 2 320.481 3.246 20 0 DGADLP COCC[N@H+]1CCC[C@@H](Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000677744966 548549659 /nfs/dbraw/zinc/54/96/59/548549659.db2.gz QTRYGQGDAAPYBB-OAHLLOKOSA-N 2 2 320.481 3.246 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749606 548550696 /nfs/dbraw/zinc/55/06/96/548550696.db2.gz KWWYDYYADQOMRI-ZWKOTPCHSA-N 2 2 304.478 3.300 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677749606 548550699 /nfs/dbraw/zinc/55/06/99/548550699.db2.gz KWWYDYYADQOMRI-ZWKOTPCHSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806571 548559071 /nfs/dbraw/zinc/55/90/71/548559071.db2.gz FMBCOGVSTQISFK-ZWKOTPCHSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806571 548559074 /nfs/dbraw/zinc/55/90/74/548559074.db2.gz FMBCOGVSTQISFK-ZWKOTPCHSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806469 548559335 /nfs/dbraw/zinc/55/93/35/548559335.db2.gz DCTZNHOFOVCKFH-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806469 548559341 /nfs/dbraw/zinc/55/93/41/548559341.db2.gz DCTZNHOFOVCKFH-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235014 548649005 /nfs/dbraw/zinc/64/90/05/548649005.db2.gz BKRDENKJIAJGKH-INIZCTEOSA-N 2 2 315.465 3.289 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235014 548649008 /nfs/dbraw/zinc/64/90/08/548649008.db2.gz BKRDENKJIAJGKH-INIZCTEOSA-N 2 2 315.465 3.289 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000678234699 548649086 /nfs/dbraw/zinc/64/90/86/548649086.db2.gz JXGKVCZDOOXSSQ-GOSISDBHSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1-c1ccccc1 ZINC000678234699 548649088 /nfs/dbraw/zinc/64/90/88/548649088.db2.gz JXGKVCZDOOXSSQ-GOSISDBHSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235015 548649814 /nfs/dbraw/zinc/64/98/14/548649814.db2.gz BKRDENKJIAJGKH-MRXNPFEDSA-N 2 2 315.465 3.289 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235015 548649817 /nfs/dbraw/zinc/64/98/17/548649817.db2.gz BKRDENKJIAJGKH-MRXNPFEDSA-N 2 2 315.465 3.289 20 0 DGADLP Cn1nc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccccc21 ZINC000678274810 548664933 /nfs/dbraw/zinc/66/49/33/548664933.db2.gz WUAGRZUCTRABMI-MRXNPFEDSA-N 2 2 312.461 3.024 20 0 DGADLP Cn1nc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccccc21 ZINC000678274810 548664936 /nfs/dbraw/zinc/66/49/36/548664936.db2.gz WUAGRZUCTRABMI-MRXNPFEDSA-N 2 2 312.461 3.024 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)n1 ZINC000678413565 548697485 /nfs/dbraw/zinc/69/74/85/548697485.db2.gz JVRBZTDLWJVILT-KRWDZBQOSA-N 2 2 324.472 3.409 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000678497730 548717032 /nfs/dbraw/zinc/71/70/32/548717032.db2.gz JFKTWQOHYWYICN-OXHPOLQJSA-N 2 2 316.489 3.180 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000678497730 548717039 /nfs/dbraw/zinc/71/70/39/548717039.db2.gz JFKTWQOHYWYICN-OXHPOLQJSA-N 2 2 316.489 3.180 20 0 DGADLP CC[C@@H](O)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592620 548734987 /nfs/dbraw/zinc/73/49/87/548734987.db2.gz UNDTWODCSWNQLV-ZWKOTPCHSA-N 2 2 304.478 3.180 20 0 DGADLP CC[C@@H](O)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592620 548734989 /nfs/dbraw/zinc/73/49/89/548734989.db2.gz UNDTWODCSWNQLV-ZWKOTPCHSA-N 2 2 304.478 3.180 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678842719 548777905 /nfs/dbraw/zinc/77/79/05/548777905.db2.gz YFPGQSDDIQLMBJ-CJNGLKHVSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678842719 548777909 /nfs/dbraw/zinc/77/79/09/548777909.db2.gz YFPGQSDDIQLMBJ-CJNGLKHVSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678842719 548777913 /nfs/dbraw/zinc/77/79/13/548777913.db2.gz YFPGQSDDIQLMBJ-CJNGLKHVSA-N 2 2 317.502 3.081 20 0 DGADLP C(c1nc2c(s1)CCC2)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678842719 548777919 /nfs/dbraw/zinc/77/79/19/548777919.db2.gz YFPGQSDDIQLMBJ-CJNGLKHVSA-N 2 2 317.502 3.081 20 0 DGADLP CCC[C@@H](C)C[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000678931323 548795147 /nfs/dbraw/zinc/79/51/47/548795147.db2.gz ZQSHTHJDWJQWCH-MJGOQNOKSA-N 2 2 304.478 3.039 20 0 DGADLP CCC[C@@H](C)C[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000678931323 548795151 /nfs/dbraw/zinc/79/51/51/548795151.db2.gz ZQSHTHJDWJQWCH-MJGOQNOKSA-N 2 2 304.478 3.039 20 0 DGADLP CCC[C@H](C)C[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000678931324 548795448 /nfs/dbraw/zinc/79/54/48/548795448.db2.gz ZQSHTHJDWJQWCH-PKOBYXMFSA-N 2 2 304.478 3.039 20 0 DGADLP CCC[C@H](C)C[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000678931324 548795452 /nfs/dbraw/zinc/79/54/52/548795452.db2.gz ZQSHTHJDWJQWCH-PKOBYXMFSA-N 2 2 304.478 3.039 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000678936569 548796897 /nfs/dbraw/zinc/79/68/97/548796897.db2.gz FGOFJDPXZBHEOX-OCCSQVGLSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000678936569 548796899 /nfs/dbraw/zinc/79/68/99/548796899.db2.gz FGOFJDPXZBHEOX-OCCSQVGLSA-N 2 2 323.278 3.472 20 0 DGADLP CCC[C@H](CC)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044164 548822479 /nfs/dbraw/zinc/82/24/79/548822479.db2.gz LNWBZCBFVXEZQE-RBUKOAKNSA-N 2 2 304.478 3.182 20 0 DGADLP CCC[C@H](CC)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044164 548822481 /nfs/dbraw/zinc/82/24/81/548822481.db2.gz LNWBZCBFVXEZQE-RBUKOAKNSA-N 2 2 304.478 3.182 20 0 DGADLP COc1ccc(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)[nH+]c1 ZINC000679068714 548825874 /nfs/dbraw/zinc/82/58/74/548825874.db2.gz MZKKUPBCCZDVKW-CQSZACIVSA-N 2 2 315.417 3.204 20 0 DGADLP CCc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000680070012 548992784 /nfs/dbraw/zinc/99/27/84/548992784.db2.gz STTTUFMAQXYHNK-UHFFFAOYSA-N 2 2 322.522 3.189 20 0 DGADLP COC1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000680332416 549030535 /nfs/dbraw/zinc/03/05/35/549030535.db2.gz FGEQLTVHACICEM-ABHNRTSZSA-N 2 2 313.445 3.251 20 0 DGADLP Cc1cccc2c(NC3CC[NH+](CC(F)F)CC3)c(C)c[nH+]c12 ZINC000680891965 549123406 /nfs/dbraw/zinc/12/34/06/549123406.db2.gz KXTYLWHBFLTIKG-UHFFFAOYSA-N 2 2 319.399 3.415 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000681976451 549270671 /nfs/dbraw/zinc/27/06/71/549270671.db2.gz GZBPHJLGJGXSIV-ROUUACIJSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000682779804 549372967 /nfs/dbraw/zinc/37/29/67/549372967.db2.gz NAPRFPQEYXDXQK-IRXDYDNUSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000682779804 549372970 /nfs/dbraw/zinc/37/29/70/549372970.db2.gz NAPRFPQEYXDXQK-IRXDYDNUSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000682779804 549372973 /nfs/dbraw/zinc/37/29/73/549372973.db2.gz NAPRFPQEYXDXQK-IRXDYDNUSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H]1CN(c2ccccc2F)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000682779804 549372975 /nfs/dbraw/zinc/37/29/75/549372975.db2.gz NAPRFPQEYXDXQK-IRXDYDNUSA-N 2 2 319.468 3.211 20 0 DGADLP CCn1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccn(CC)c2)c1 ZINC000683030790 549418234 /nfs/dbraw/zinc/41/82/34/549418234.db2.gz HOAVDNQECNCNLW-UHFFFAOYSA-N 2 2 316.493 3.283 20 0 DGADLP CCn1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccn(CC)c2)c1 ZINC000683030790 549418235 /nfs/dbraw/zinc/41/82/35/549418235.db2.gz HOAVDNQECNCNLW-UHFFFAOYSA-N 2 2 316.493 3.283 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000683476843 549492126 /nfs/dbraw/zinc/49/21/26/549492126.db2.gz OFLURTZZZCDXRG-INIZCTEOSA-N 2 2 302.462 3.264 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000683476843 549492127 /nfs/dbraw/zinc/49/21/27/549492127.db2.gz OFLURTZZZCDXRG-INIZCTEOSA-N 2 2 302.462 3.264 20 0 DGADLP Cc1nc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000683898314 549553588 /nfs/dbraw/zinc/55/35/88/549553588.db2.gz MJTAAFSLUJIJHK-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000683898314 549553594 /nfs/dbraw/zinc/55/35/94/549553594.db2.gz MJTAAFSLUJIJHK-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1nc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000683898314 549553597 /nfs/dbraw/zinc/55/35/97/549553597.db2.gz MJTAAFSLUJIJHK-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1nc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000683898314 549553604 /nfs/dbraw/zinc/55/36/04/549553604.db2.gz MJTAAFSLUJIJHK-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP C[NH+](C)[C@@H]1CCOc2c(NCc3c[nH+]c4ccccn34)cccc21 ZINC000683933558 549559415 /nfs/dbraw/zinc/55/94/15/549559415.db2.gz VKTDZECEMRKDLC-QGZVFWFLSA-N 2 2 322.412 3.332 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1 ZINC000684366205 549619479 /nfs/dbraw/zinc/61/94/79/549619479.db2.gz MKFFGWIJJISGIK-HZPDHXFCSA-N 2 2 301.434 3.282 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000684368425 549620185 /nfs/dbraw/zinc/62/01/85/549620185.db2.gz IGDMWCAMNFGOQA-IPMKNSEASA-N 2 2 302.462 3.371 20 0 DGADLP COc1ccc2c(c1)OCC[C@@H]2[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684382030 549624027 /nfs/dbraw/zinc/62/40/27/549624027.db2.gz MHOOYFTXBHDWAJ-SFHVURJKSA-N 2 2 312.413 3.445 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1Cl ZINC000684509976 549651141 /nfs/dbraw/zinc/65/11/41/549651141.db2.gz RNFIJNCOJVDAQB-UHFFFAOYSA-N 2 2 320.824 3.017 20 0 DGADLP C[C@@H]1CCN(c2cc[nH+]c3c(O)cccc23)C[C@H]1n1cc[nH+]c1 ZINC000684576152 549662771 /nfs/dbraw/zinc/66/27/71/549662771.db2.gz LFKKQEJLKLWJOO-CZUORRHYSA-N 2 2 308.385 3.224 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000685462957 549765215 /nfs/dbraw/zinc/76/52/15/549765215.db2.gz RVVJRIGYSZHXGV-ZPCZRFHTSA-N 2 2 318.464 3.435 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000685462957 549765218 /nfs/dbraw/zinc/76/52/18/549765218.db2.gz RVVJRIGYSZHXGV-ZPCZRFHTSA-N 2 2 318.464 3.435 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000733798614 574639930 /nfs/dbraw/zinc/63/99/30/574639930.db2.gz WJOPHQBJIXVGBV-NSHDSACASA-N 2 2 314.364 3.467 20 0 DGADLP Brc1ccoc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000738430767 574869287 /nfs/dbraw/zinc/86/92/87/574869287.db2.gz POXYZQADONRBKG-UHFFFAOYSA-N 2 2 324.222 3.419 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1OCC ZINC000729681432 575259762 /nfs/dbraw/zinc/25/97/62/575259762.db2.gz BNIRFQWNBRFIOV-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1OCC ZINC000729681432 575259766 /nfs/dbraw/zinc/25/97/66/575259766.db2.gz BNIRFQWNBRFIOV-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000750038896 575699389 /nfs/dbraw/zinc/69/93/89/575699389.db2.gz LYKASOMHMWSXBB-GOSISDBHSA-N 2 2 320.396 3.310 20 0 DGADLP Oc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000750038896 575699393 /nfs/dbraw/zinc/69/93/93/575699393.db2.gz LYKASOMHMWSXBB-GOSISDBHSA-N 2 2 320.396 3.310 20 0 DGADLP C[C@@H]1C[NH+]=C(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)S1 ZINC000750829208 575754545 /nfs/dbraw/zinc/75/45/45/575754545.db2.gz GDEKKPIWCNAGHL-RHSMWYFYSA-N 2 2 315.486 3.173 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000750839543 575754748 /nfs/dbraw/zinc/75/47/48/575754748.db2.gz MSFRGDFTLNTGIT-CJNGLKHVSA-N 2 2 321.465 3.386 20 0 DGADLP C[C@@H](CCc1ccccc1)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000750837849 575754965 /nfs/dbraw/zinc/75/49/65/575754965.db2.gz DZJMMCLGKDMGGO-JKSUJKDBSA-N 2 2 317.502 3.117 20 0 DGADLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C2CCCC2)n1 ZINC000891841809 617910471 /nfs/dbraw/zinc/91/04/71/617910471.db2.gz GYQJUYSUYCNVQS-UHFFFAOYSA-N 2 2 313.449 3.111 20 0 DGADLP FC(F)OC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926543317 618043925 /nfs/dbraw/zinc/04/39/25/618043925.db2.gz KQNOTSWZTVCPGK-CVSAEHQPSA-N 2 2 302.409 3.143 20 0 DGADLP FC(F)OC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926543317 618043928 /nfs/dbraw/zinc/04/39/28/618043928.db2.gz KQNOTSWZTVCPGK-CVSAEHQPSA-N 2 2 302.409 3.143 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C)(O)CC1)c1ccccc1 ZINC000892422379 618063198 /nfs/dbraw/zinc/06/31/98/618063198.db2.gz ZQBLXWYSCKBTJH-XBMUEBEBSA-N 2 2 304.478 3.353 20 0 DGADLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C2CC2)n1 ZINC000892447197 618068155 /nfs/dbraw/zinc/06/81/55/618068155.db2.gz QAFYQCKNDYZASE-UHFFFAOYSA-N 2 2 324.472 3.052 20 0 DGADLP c1cn(C2CC2)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC000892467476 618073518 /nfs/dbraw/zinc/07/35/18/618073518.db2.gz YXERMMLFEKKBBN-UHFFFAOYSA-N 2 2 324.472 3.494 20 0 DGADLP C[C@H]1CC2(CC([NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)C2)CO1 ZINC000924531487 618074226 /nfs/dbraw/zinc/07/42/26/618074226.db2.gz HBVYSFAVZIPANP-VHBXLISGSA-N 2 2 314.473 3.371 20 0 DGADLP CCc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(CC)[nH+]1 ZINC000892618015 618119950 /nfs/dbraw/zinc/11/99/50/618119950.db2.gz DUCMKWQHQCPAKD-INIZCTEOSA-N 2 2 302.466 3.056 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000892739529 618299077 /nfs/dbraw/zinc/29/90/77/618299077.db2.gz HWGXRUMZAIBSLI-QGZVFWFLSA-N 2 2 314.429 3.290 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000892739529 618299081 /nfs/dbraw/zinc/29/90/81/618299081.db2.gz HWGXRUMZAIBSLI-QGZVFWFLSA-N 2 2 314.429 3.290 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925070008 618309371 /nfs/dbraw/zinc/30/93/71/618309371.db2.gz JCVQKWUNJDMDLE-SLFFLAALSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925070008 618309378 /nfs/dbraw/zinc/30/93/78/618309378.db2.gz JCVQKWUNJDMDLE-SLFFLAALSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417514 618320776 /nfs/dbraw/zinc/32/07/76/618320776.db2.gz OZKDESGROUOOSB-SJPCQFCGSA-N 2 2 304.482 3.138 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417514 618320783 /nfs/dbraw/zinc/32/07/83/618320783.db2.gz OZKDESGROUOOSB-SJPCQFCGSA-N 2 2 304.482 3.138 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894417514 618320791 /nfs/dbraw/zinc/32/07/91/618320791.db2.gz OZKDESGROUOOSB-SJPCQFCGSA-N 2 2 304.482 3.138 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417514 618320799 /nfs/dbraw/zinc/32/07/99/618320799.db2.gz OZKDESGROUOOSB-SJPCQFCGSA-N 2 2 304.482 3.138 20 0 DGADLP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)o1 ZINC000894465631 618343884 /nfs/dbraw/zinc/34/38/84/618343884.db2.gz PNKFTRDCCZFNKS-UHFFFAOYSA-N 2 2 322.449 3.056 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnn1C1CCC1 ZINC000894478963 618350005 /nfs/dbraw/zinc/35/00/05/618350005.db2.gz GZYWQINZMMRYKB-UHFFFAOYSA-N 2 2 315.465 3.279 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000894478963 618350015 /nfs/dbraw/zinc/35/00/15/618350015.db2.gz GZYWQINZMMRYKB-UHFFFAOYSA-N 2 2 315.465 3.279 20 0 DGADLP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000925074399 618355872 /nfs/dbraw/zinc/35/58/72/618355872.db2.gz WKDDSTXOVMLPEZ-OTBHMBEGSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000925074399 618355880 /nfs/dbraw/zinc/35/58/80/618355880.db2.gz WKDDSTXOVMLPEZ-OTBHMBEGSA-N 2 2 314.473 3.198 20 0 DGADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000892938948 618358121 /nfs/dbraw/zinc/35/81/21/618358121.db2.gz VDOYEWPDOKOSEB-UHFFFAOYSA-N 2 2 316.474 3.157 20 0 DGADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000892938948 618358124 /nfs/dbraw/zinc/35/81/24/618358124.db2.gz VDOYEWPDOKOSEB-UHFFFAOYSA-N 2 2 316.474 3.157 20 0 DGADLP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C(=O)OC(C)(C)C ZINC000893186995 618466729 /nfs/dbraw/zinc/46/67/29/618466729.db2.gz JZGJMQMIOWQJJQ-KLAILNCOSA-N 2 2 324.509 3.349 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553561 618490356 /nfs/dbraw/zinc/49/03/56/618490356.db2.gz QUDQSWTUNUWGLL-IEBWSBKVSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553560 618490365 /nfs/dbraw/zinc/49/03/65/618490365.db2.gz QUDQSWTUNUWGLL-HKUYNNGSSA-N 3 2 303.494 3.177 20 0 DGADLP c1cn2c([nH+]1)C[C@@H](Nc1[nH+]ccc3c4c([nH]c31)CCCC4)CC2 ZINC000893266991 618490856 /nfs/dbraw/zinc/49/08/56/618490856.db2.gz VEWWZNOOSNUOKG-LBPRGKRZSA-N 2 2 307.401 3.065 20 0 DGADLP COCc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000925098119 618493717 /nfs/dbraw/zinc/49/37/17/618493717.db2.gz RJRCBTQDFMIUQD-ROUUACIJSA-N 2 2 306.425 3.079 20 0 DGADLP COCc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000925098119 618493719 /nfs/dbraw/zinc/49/37/19/618493719.db2.gz RJRCBTQDFMIUQD-ROUUACIJSA-N 2 2 306.425 3.079 20 0 DGADLP COC[C@H](CC(C)C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110655 618539484 /nfs/dbraw/zinc/53/94/84/618539484.db2.gz SFOGIQNLGHCDNK-ULQDDVLXSA-N 2 2 305.466 3.219 20 0 DGADLP Cc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)sn1 ZINC000895111760 618540086 /nfs/dbraw/zinc/54/00/86/618540086.db2.gz IXTRMIGQYLGRQS-HDJSIYSDSA-N 2 2 302.447 3.123 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc3c(n2)CCC3)c2cccc[nH+]2)CC1 ZINC000895113441 618540624 /nfs/dbraw/zinc/54/06/24/618540624.db2.gz WQBIUBVIOODWIP-SAABIXHNSA-N 2 2 322.456 3.242 20 0 DGADLP CC1=Nc2ccccc2C12CC[NH+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000895129208 618546123 /nfs/dbraw/zinc/54/61/23/618546123.db2.gz PEYNNQFHLONRIN-UHFFFAOYSA-N 2 2 320.440 3.469 20 0 DGADLP Cc1nc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)sc1C ZINC000895132455 618546806 /nfs/dbraw/zinc/54/68/06/618546806.db2.gz VASFNIYVNOEXFW-SHTZXODSSA-N 2 2 316.474 3.431 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)[NH+](C)C ZINC000895292603 618589384 /nfs/dbraw/zinc/58/93/84/618589384.db2.gz RJTBLEYXRWQDBK-GFCCVEGCSA-N 2 2 312.479 3.133 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1Cl ZINC000925778165 618616794 /nfs/dbraw/zinc/61/67/94/618616794.db2.gz IGTGADGDSVZGIH-ZJUUUORDSA-N 2 2 306.759 3.375 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1Cl ZINC000925778155 618616817 /nfs/dbraw/zinc/61/68/17/618616817.db2.gz IGTGADGDSVZGIH-NXEZZACHSA-N 2 2 306.759 3.375 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(F)c1 ZINC000925792094 618620923 /nfs/dbraw/zinc/62/09/23/618620923.db2.gz OVGYKDQSCIKJHB-IRXDYDNUSA-N 2 2 306.425 3.025 20 0 DGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925793536 618621105 /nfs/dbraw/zinc/62/11/05/618621105.db2.gz DTOCORKYIGXCOY-WBVHZDCISA-N 2 2 320.864 3.076 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1csc2ccccc21 ZINC000925829959 618640094 /nfs/dbraw/zinc/64/00/94/618640094.db2.gz HIUIUEPGZNMVSX-ZDUSSCGKSA-N 2 2 304.459 3.009 20 0 DGADLP CC[N@@H+](Cc1ocnc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076484 618706469 /nfs/dbraw/zinc/70/64/69/618706469.db2.gz OGMGASLHCKANCG-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[N@H+](Cc1ocnc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076484 618706471 /nfs/dbraw/zinc/70/64/71/618706471.db2.gz OGMGASLHCKANCG-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ocnc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894076484 618706473 /nfs/dbraw/zinc/70/64/73/618706473.db2.gz OGMGASLHCKANCG-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ocnc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894076484 618706476 /nfs/dbraw/zinc/70/64/76/618706476.db2.gz OGMGASLHCKANCG-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094270 618708220 /nfs/dbraw/zinc/70/82/20/618708220.db2.gz KROHWKGUBHXTKD-CJNGLKHVSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094270 618708222 /nfs/dbraw/zinc/70/82/22/618708222.db2.gz KROHWKGUBHXTKD-CJNGLKHVSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000894094270 618708224 /nfs/dbraw/zinc/70/82/24/618708224.db2.gz KROHWKGUBHXTKD-CJNGLKHVSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000894094270 618708228 /nfs/dbraw/zinc/70/82/28/618708228.db2.gz KROHWKGUBHXTKD-CJNGLKHVSA-N 2 2 306.475 3.450 20 0 DGADLP Cc1csc(CCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000924920242 618738924 /nfs/dbraw/zinc/73/89/24/618738924.db2.gz MKGXCYUSTGLEOR-CVEARBPZSA-N 2 2 307.507 3.381 20 0 DGADLP Cc1csc(CCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000924920242 618738927 /nfs/dbraw/zinc/73/89/27/618738927.db2.gz MKGXCYUSTGLEOR-CVEARBPZSA-N 2 2 307.507 3.381 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375749 618776222 /nfs/dbraw/zinc/77/62/22/618776222.db2.gz DHHNELSPIZGQGN-RDJZCZTQSA-N 2 2 306.498 3.190 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375749 618776223 /nfs/dbraw/zinc/77/62/23/618776223.db2.gz DHHNELSPIZGQGN-RDJZCZTQSA-N 2 2 306.498 3.190 20 0 DGADLP Cc1noc2ncc(C[N@H+]3CCCC[C@H]3[C@@H](C)C[NH+](C)C)cc12 ZINC000895381804 618776475 /nfs/dbraw/zinc/77/64/75/618776475.db2.gz WQCOZFYUYPXIDT-GUYCJALGSA-N 2 2 316.449 3.083 20 0 DGADLP Cc1noc2ncc(C[N@@H+]3CCCC[C@H]3[C@@H](C)C[NH+](C)C)cc12 ZINC000895381804 618776477 /nfs/dbraw/zinc/77/64/77/618776477.db2.gz WQCOZFYUYPXIDT-GUYCJALGSA-N 2 2 316.449 3.083 20 0 DGADLP Cc1noc2ncc(C[N@H+]3CCCC[C@@H]3[C@H](C)C[NH+](C)C)cc12 ZINC000895381802 618776602 /nfs/dbraw/zinc/77/66/02/618776602.db2.gz WQCOZFYUYPXIDT-CXAGYDPISA-N 2 2 316.449 3.083 20 0 DGADLP Cc1noc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H](C)C[NH+](C)C)cc12 ZINC000895381802 618776603 /nfs/dbraw/zinc/77/66/03/618776603.db2.gz WQCOZFYUYPXIDT-CXAGYDPISA-N 2 2 316.449 3.083 20 0 DGADLP C[N@H+](Cc1cc2c(cccc2O)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000895453807 618785171 /nfs/dbraw/zinc/78/51/71/618785171.db2.gz PHTQMQKHIUOOAU-HNNXBMFYSA-N 2 2 302.443 3.133 20 0 DGADLP C[N@@H+](Cc1cc2c(cccc2O)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000895453807 618785172 /nfs/dbraw/zinc/78/51/72/618785172.db2.gz PHTQMQKHIUOOAU-HNNXBMFYSA-N 2 2 302.443 3.133 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000895827091 618834050 /nfs/dbraw/zinc/83/40/50/618834050.db2.gz CZXGNIFQEFJTGZ-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(COC)cs2)CC1 ZINC000895822148 618836165 /nfs/dbraw/zinc/83/61/65/618836165.db2.gz LBVMTDWNSDZHSZ-UHFFFAOYSA-N 2 2 308.491 3.345 20 0 DGADLP Cn1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1C1CC1 ZINC000896034781 618864349 /nfs/dbraw/zinc/86/43/49/618864349.db2.gz GOAQZFZJYRQMJS-GOSISDBHSA-N 2 2 321.428 3.025 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896719335 618948157 /nfs/dbraw/zinc/94/81/57/618948157.db2.gz CUUOJHOVHFUDSW-HNAYVOBHSA-N 2 2 313.445 3.001 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925167965 619064288 /nfs/dbraw/zinc/06/42/88/619064288.db2.gz FLEHOQFMFIKXTE-DOMZBBRYSA-N 2 2 316.836 3.476 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897984656 619202858 /nfs/dbraw/zinc/20/28/58/619202858.db2.gz CLDPDGFULFQIDQ-UHFFFAOYSA-N 2 2 310.445 3.183 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841062408 619249758 /nfs/dbraw/zinc/24/97/58/619249758.db2.gz WHJSJIXPVRJBJS-GXTWGEPZSA-N 2 2 318.852 3.064 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000926965677 619253623 /nfs/dbraw/zinc/25/36/23/619253623.db2.gz RXTNSQJXHMPPQI-YPMHNXCESA-N 2 2 302.821 3.096 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000926965675 619253742 /nfs/dbraw/zinc/25/37/42/619253742.db2.gz RXTNSQJXHMPPQI-DGCLKSJQSA-N 2 2 302.821 3.096 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706593 619261569 /nfs/dbraw/zinc/26/15/69/619261569.db2.gz QEKBOHRTLBXVKA-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706593 619261571 /nfs/dbraw/zinc/26/15/71/619261571.db2.gz QEKBOHRTLBXVKA-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000924730814 619269108 /nfs/dbraw/zinc/26/91/08/619269108.db2.gz RBIATRAHLOUEOY-GOEBONIOSA-N 2 2 315.465 3.181 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c[nH+]1 ZINC000924769574 619388244 /nfs/dbraw/zinc/38/82/44/619388244.db2.gz KARMVMDAVTZKTI-PKOBYXMFSA-N 2 2 311.429 3.167 20 0 DGADLP CCn1ccc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)n1 ZINC000902390363 619630057 /nfs/dbraw/zinc/63/00/57/619630057.db2.gz LAHZYIXDSSAELV-KRWDZBQOSA-N 2 2 322.403 3.141 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc2)c1 ZINC000902476267 619638415 /nfs/dbraw/zinc/63/84/15/619638415.db2.gz OMDVVRRVICECQV-GFOJFJKKSA-N 2 2 322.452 3.462 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c2ccccc21 ZINC000902452134 619639890 /nfs/dbraw/zinc/63/98/90/619639890.db2.gz JDEDCGPVJBRCHO-SJORKVTESA-N 2 2 322.408 3.181 20 0 DGADLP COCc1cc([C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)ccc1OC ZINC000902483601 619645589 /nfs/dbraw/zinc/64/55/89/619645589.db2.gz SBXBNWLYIPUZEB-RHSMWYFYSA-N 2 2 306.450 3.024 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c1C ZINC000902482441 619645709 /nfs/dbraw/zinc/64/57/09/619645709.db2.gz LDZXMXBECRISIW-NVXWUHKLSA-N 2 2 317.477 3.142 20 0 DGADLP COCc1cc([C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)ccc1OC ZINC000902483603 619645715 /nfs/dbraw/zinc/64/57/15/619645715.db2.gz SBXBNWLYIPUZEB-YOEHRIQHSA-N 2 2 306.450 3.024 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000902484964 619645969 /nfs/dbraw/zinc/64/59/69/619645969.db2.gz XPFKOQIZKNOSPB-WMLDXEAASA-N 2 2 317.433 3.352 20 0 DGADLP COc1cccc(-c2csc(C[NH2+]C[C@@H](C)C[NH+](C)C)n2)c1 ZINC000902572689 619655695 /nfs/dbraw/zinc/65/56/95/619655695.db2.gz WJVQPWXUMMXIBO-CYBMUJFWSA-N 2 2 319.474 3.106 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902723998 619666008 /nfs/dbraw/zinc/66/60/08/619666008.db2.gz VNIMJWTYEMFTGW-CRAIPNDOSA-N 2 2 324.428 3.419 20 0 DGADLP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000902736588 619667822 /nfs/dbraw/zinc/66/78/22/619667822.db2.gz IKSAAVAJUAMMDT-RBUKOAKNSA-N 2 2 313.445 3.369 20 0 DGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902795499 619677652 /nfs/dbraw/zinc/67/76/52/619677652.db2.gz CZIKLBWZBYFFGL-FHWLQOOXSA-N 2 2 306.494 3.046 20 0 DGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902795499 619677654 /nfs/dbraw/zinc/67/76/54/619677654.db2.gz CZIKLBWZBYFFGL-FHWLQOOXSA-N 2 2 306.494 3.046 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000902799222 619678575 /nfs/dbraw/zinc/67/85/75/619678575.db2.gz BIGNRMMYZNXEHL-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CCOCC1 ZINC000902835860 619682185 /nfs/dbraw/zinc/68/21/85/619682185.db2.gz QIQBGZVXSRHVIY-QGZVFWFLSA-N 2 2 305.466 3.315 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000902877273 619686956 /nfs/dbraw/zinc/68/69/56/619686956.db2.gz MVAFFGFYOBUPNM-INIZCTEOSA-N 2 2 321.428 3.338 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000902881361 619687837 /nfs/dbraw/zinc/68/78/37/619687837.db2.gz OZECTOLDZNJYTA-DZGCQCFKSA-N 2 2 309.417 3.186 20 0 DGADLP CCOC(CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)OCC ZINC000902969623 619696026 /nfs/dbraw/zinc/69/60/26/619696026.db2.gz FMTTZIWBPKFROF-OAHLLOKOSA-N 2 2 317.433 3.312 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000902992478 619700206 /nfs/dbraw/zinc/70/02/06/619700206.db2.gz KVYZULXQPDPIRM-WRSAYESZSA-N 2 2 311.429 3.189 20 0 DGADLP C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903094973 619719231 /nfs/dbraw/zinc/71/92/31/619719231.db2.gz QVYHFTZGAIOVHI-HNNXBMFYSA-N 2 2 311.429 3.482 20 0 DGADLP c1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]c(C2CC2)c1 ZINC000903266868 619748752 /nfs/dbraw/zinc/74/87/52/619748752.db2.gz BFXCVRHSKJADJX-MRXNPFEDSA-N 2 2 301.434 3.014 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cccnc1 ZINC000903379198 619768072 /nfs/dbraw/zinc/76/80/72/619768072.db2.gz VCVIXIJXZUGVNQ-OKZBNKHCSA-N 2 2 319.493 3.258 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cccnc1 ZINC000903379197 619768357 /nfs/dbraw/zinc/76/83/57/619768357.db2.gz VCVIXIJXZUGVNQ-FGTMMUONSA-N 2 2 319.493 3.258 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)c1cccnc1 ZINC000903379913 619768870 /nfs/dbraw/zinc/76/88/70/619768870.db2.gz IYYVBLNJRRUFHE-OFLPRAFFSA-N 2 2 305.466 3.010 20 0 DGADLP C[C@@H](CCc1ccco1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903384693 619769501 /nfs/dbraw/zinc/76/95/01/619769501.db2.gz SQTSQDNJVUUGNU-MAUKXSAKSA-N 2 2 301.434 3.278 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000903527386 619783664 /nfs/dbraw/zinc/78/36/64/619783664.db2.gz XPCGSLPIULLKME-IPMKNSEASA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000903527386 619783666 /nfs/dbraw/zinc/78/36/66/619783666.db2.gz XPCGSLPIULLKME-IPMKNSEASA-N 2 2 302.462 3.371 20 0 DGADLP CC(C)(C[NH3+])C1CC[NH+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC000903790803 619811211 /nfs/dbraw/zinc/81/12/11/619811211.db2.gz BNQSRSMAIBYBLW-UHFFFAOYSA-N 2 2 321.412 3.359 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903804472 619816814 /nfs/dbraw/zinc/81/68/14/619816814.db2.gz HEGDFWCBRTWFIL-QFBILLFUSA-N 2 2 311.429 3.353 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903804472 619816817 /nfs/dbraw/zinc/81/68/17/619816817.db2.gz HEGDFWCBRTWFIL-QFBILLFUSA-N 2 2 311.429 3.353 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)co1 ZINC000903810520 619818005 /nfs/dbraw/zinc/81/80/05/619818005.db2.gz DCJXBWKYDDZMOO-OAHLLOKOSA-N 2 2 305.466 3.456 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)co1 ZINC000903810520 619818007 /nfs/dbraw/zinc/81/80/07/619818007.db2.gz DCJXBWKYDDZMOO-OAHLLOKOSA-N 2 2 305.466 3.456 20 0 DGADLP COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1SC ZINC000903822087 619819385 /nfs/dbraw/zinc/81/93/85/619819385.db2.gz WFVMAXGPJCZMDW-CRAIPNDOSA-N 2 2 314.454 3.131 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000903885209 619828744 /nfs/dbraw/zinc/82/87/44/619828744.db2.gz JNLWSOHWLUFXCD-KGLIPLIRSA-N 2 2 307.388 3.330 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000903885209 619828745 /nfs/dbraw/zinc/82/87/45/619828745.db2.gz JNLWSOHWLUFXCD-KGLIPLIRSA-N 2 2 307.388 3.330 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903931441 619836437 /nfs/dbraw/zinc/83/64/37/619836437.db2.gz DSMHSIOOBQPPCE-LSDHHAIUSA-N 2 2 312.404 3.075 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903931441 619836442 /nfs/dbraw/zinc/83/64/42/619836442.db2.gz DSMHSIOOBQPPCE-LSDHHAIUSA-N 2 2 312.404 3.075 20 0 DGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000903941701 619841363 /nfs/dbraw/zinc/84/13/63/619841363.db2.gz DQJQBDJSPXLQJI-AWEZNQCLSA-N 2 2 315.486 3.229 20 0 DGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000903941701 619841367 /nfs/dbraw/zinc/84/13/67/619841367.db2.gz DQJQBDJSPXLQJI-AWEZNQCLSA-N 2 2 315.486 3.229 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000904092946 619877846 /nfs/dbraw/zinc/87/78/46/619877846.db2.gz DYBOPRHTOCFXAM-JKSUJKDBSA-N 2 2 323.400 3.297 20 0 DGADLP Cc1cc(C)c(CNC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)c[nH+]1 ZINC000904595467 619934856 /nfs/dbraw/zinc/93/48/56/619934856.db2.gz JAVBEYACAFBKKK-UHFFFAOYSA-N 2 2 312.417 3.214 20 0 DGADLP C[NH+](C)Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000904859224 619954134 /nfs/dbraw/zinc/95/41/34/619954134.db2.gz NSVPSRIXFWVFAS-UHFFFAOYSA-N 2 2 316.470 3.309 20 0 DGADLP CN(C)c1cc(-c2ccc3c(c2)C[NH2+]CC2(CCC2)O3)cc[nH+]1 ZINC000904851462 619955298 /nfs/dbraw/zinc/95/52/98/619955298.db2.gz RDZBDOHTBKKQGJ-UHFFFAOYSA-N 2 2 309.413 3.219 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000905029399 619967289 /nfs/dbraw/zinc/96/72/89/619967289.db2.gz AWQQPJDFDWHIBD-HXUWFJFHSA-N 2 2 321.424 3.063 20 0 DGADLP CC(C)c1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000908497910 620207716 /nfs/dbraw/zinc/20/77/16/620207716.db2.gz YUHFCCGNBXJJGU-HXUWFJFHSA-N 2 2 316.489 3.231 20 0 DGADLP CC(C)c1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000908497910 620207717 /nfs/dbraw/zinc/20/77/17/620207717.db2.gz YUHFCCGNBXJJGU-HXUWFJFHSA-N 2 2 316.489 3.231 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc2c1OCO2 ZINC000924843715 620358893 /nfs/dbraw/zinc/35/88/93/620358893.db2.gz MDCDOHQOSUCKIT-CYBMUJFWSA-N 2 2 302.418 3.083 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000852566661 620630519 /nfs/dbraw/zinc/63/05/19/620630519.db2.gz NVWROTCKXWNYKU-ZHALLVOQSA-N 2 2 301.478 3.114 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000852566661 620630523 /nfs/dbraw/zinc/63/05/23/620630523.db2.gz NVWROTCKXWNYKU-ZHALLVOQSA-N 2 2 301.478 3.114 20 0 DGADLP c1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(C2CCC2)n1 ZINC000921592334 620911801 /nfs/dbraw/zinc/91/18/01/620911801.db2.gz ZBXQKPVKRHVDMK-UHFFFAOYSA-N 2 2 307.401 3.084 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c[nH+]1 ZINC000921588489 620912061 /nfs/dbraw/zinc/91/20/61/620912061.db2.gz FDCXEVBBRBGOGF-BPQIPLTHSA-N 2 2 311.429 3.167 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)ccc2O1 ZINC000921588494 620912114 /nfs/dbraw/zinc/91/21/14/620912114.db2.gz FDKLPPKSEFRPCW-OAHLLOKOSA-N 2 2 319.408 3.486 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(Oc2ccccn2)c1)Cn1cc[nH+]c1 ZINC000921609614 620914015 /nfs/dbraw/zinc/91/40/15/620914015.db2.gz PGWFGLBOTRLFBO-INIZCTEOSA-N 2 2 322.412 3.496 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n(C2CCC2)n1 ZINC000921621322 620916285 /nfs/dbraw/zinc/91/62/85/620916285.db2.gz MSYNVHNJTWREHU-UHFFFAOYSA-N 2 2 316.493 3.352 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc2)[nH+]c1C ZINC000921659121 620929087 /nfs/dbraw/zinc/92/90/87/620929087.db2.gz AOKACOKQYLWMAX-INIZCTEOSA-N 2 2 314.433 3.218 20 0 DGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(Oc3ccccn3)c1)C2 ZINC000922140604 620994255 /nfs/dbraw/zinc/99/42/55/620994255.db2.gz WLLLGELWFCZPPR-OAHLLOKOSA-N 2 2 320.396 3.244 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000922284208 621017731 /nfs/dbraw/zinc/01/77/31/621017731.db2.gz AUZJVNPNFCSKNG-DODZYUBVSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000922284208 621017736 /nfs/dbraw/zinc/01/77/36/621017736.db2.gz AUZJVNPNFCSKNG-DODZYUBVSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745829 621092920 /nfs/dbraw/zinc/09/29/20/621092920.db2.gz QASSYCXAILLGRN-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745829 621092923 /nfs/dbraw/zinc/09/29/23/621092923.db2.gz QASSYCXAILLGRN-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP Clc1ccc2c(n1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000857903816 621129747 /nfs/dbraw/zinc/12/97/47/621129747.db2.gz PHXHJQIOBHMVHW-OAHLLOKOSA-N 2 2 305.853 3.329 20 0 DGADLP c1cn(-c2csc(C[NH2+]C3([C@@H]4CCCCO4)CC3)c2)c[nH+]1 ZINC000923030766 621149218 /nfs/dbraw/zinc/14/92/18/621149218.db2.gz RTLFJNOQXNPNJL-HNNXBMFYSA-N 2 2 303.431 3.125 20 0 DGADLP Cc1cc(C[NH2+][C@H](C)CC[NH+](C)C)c(Br)cc1F ZINC000858115782 621154395 /nfs/dbraw/zinc/15/43/95/621154395.db2.gz LPYPBXNMHIRKAD-LLVKDONJSA-N 2 2 317.246 3.326 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157328 621159756 /nfs/dbraw/zinc/15/97/56/621159756.db2.gz DLILSLFGUUWBRC-HOTGVXAUSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157328 621159759 /nfs/dbraw/zinc/15/97/59/621159759.db2.gz DLILSLFGUUWBRC-HOTGVXAUSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2scnc21 ZINC000858352843 621179745 /nfs/dbraw/zinc/17/97/45/621179745.db2.gz GLSZUFSYXNXYBP-GXTWGEPZSA-N 2 2 304.463 3.422 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000858361981 621181235 /nfs/dbraw/zinc/18/12/35/621181235.db2.gz JRELVWVOQXOEKC-SNRMKQJTSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000858361981 621181236 /nfs/dbraw/zinc/18/12/36/621181236.db2.gz JRELVWVOQXOEKC-SNRMKQJTSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1cc(Nc2cc[nH+]c(CO)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000858475885 621195948 /nfs/dbraw/zinc/19/59/48/621195948.db2.gz LQHQTKNEQIHNDC-CQSZACIVSA-N 2 2 312.417 3.400 20 0 DGADLP CC(C)c1cnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859214218 621261221 /nfs/dbraw/zinc/26/12/21/621261221.db2.gz GIIPNQVFWDVCHG-UHFFFAOYSA-N 2 2 301.434 3.492 20 0 DGADLP CC(C)c1cnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859214218 621261225 /nfs/dbraw/zinc/26/12/25/621261225.db2.gz GIIPNQVFWDVCHG-UHFFFAOYSA-N 2 2 301.434 3.492 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000754796341 621533428 /nfs/dbraw/zinc/53/34/28/621533428.db2.gz VPMCHTVENGCEJT-ZHALLVOQSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000754796341 621533429 /nfs/dbraw/zinc/53/34/29/621533429.db2.gz VPMCHTVENGCEJT-ZHALLVOQSA-N 2 2 302.462 3.228 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C2 ZINC000756029477 621610739 /nfs/dbraw/zinc/61/07/39/621610739.db2.gz DBGSUNTXASBZMS-NVXWUHKLSA-N 2 2 302.462 3.017 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000863652408 621693777 /nfs/dbraw/zinc/69/37/77/621693777.db2.gz SOFMNFVTCZNBLM-INIZCTEOSA-N 2 2 313.445 3.056 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000863652408 621693779 /nfs/dbraw/zinc/69/37/79/621693779.db2.gz SOFMNFVTCZNBLM-INIZCTEOSA-N 2 2 313.445 3.056 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000759783238 621889422 /nfs/dbraw/zinc/88/94/22/621889422.db2.gz JZDJNNCPWDKILS-UHFFFAOYSA-N 2 2 304.438 3.469 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000759783238 621889427 /nfs/dbraw/zinc/88/94/27/621889427.db2.gz JZDJNNCPWDKILS-UHFFFAOYSA-N 2 2 304.438 3.469 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C(C)(C)C ZINC000865412090 621913810 /nfs/dbraw/zinc/91/38/10/621913810.db2.gz JDPYXFDEZSILBC-AWEZNQCLSA-N 2 2 301.434 3.368 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000865425485 621917581 /nfs/dbraw/zinc/91/75/81/621917581.db2.gz MSPUSNPPJHBPLW-AWEZNQCLSA-N 2 2 308.376 3.420 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc3cccnc3c2)s1 ZINC000865679937 621977145 /nfs/dbraw/zinc/97/71/45/621977145.db2.gz KMWJRQNORBPHKD-UHFFFAOYSA-N 2 2 312.442 3.043 20 0 DGADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCCO1 ZINC000865746812 621987329 /nfs/dbraw/zinc/98/73/29/621987329.db2.gz PQTPWVNOOKQHBV-OAHLLOKOSA-N 2 2 305.447 3.371 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cc2)c[nH+]1 ZINC000865761990 621990754 /nfs/dbraw/zinc/99/07/54/621990754.db2.gz UJCSWBRFIVSWNX-MJGOQNOKSA-N 2 2 311.429 3.167 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866238491 622073565 /nfs/dbraw/zinc/07/35/65/622073565.db2.gz PCAKBYGOJYPVFD-RDJZCZTQSA-N 2 2 300.450 3.304 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)[nH+]c1 ZINC000866256731 622077649 /nfs/dbraw/zinc/07/76/49/622077649.db2.gz PHLJGWPKHRZWIF-FUHWJXTLSA-N 2 2 303.450 3.211 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000866271638 622081344 /nfs/dbraw/zinc/08/13/44/622081344.db2.gz CGQQFVIJBIGNQG-KRWDZBQOSA-N 2 2 323.484 3.092 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CC1 ZINC000866541270 622135314 /nfs/dbraw/zinc/13/53/14/622135314.db2.gz XDYYLCQLWCKJTJ-VQIMIIECSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CC1 ZINC000866541270 622135317 /nfs/dbraw/zinc/13/53/17/622135317.db2.gz XDYYLCQLWCKJTJ-VQIMIIECSA-N 2 2 301.478 3.462 20 0 DGADLP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561811 622138176 /nfs/dbraw/zinc/13/81/76/622138176.db2.gz LPHWXKZQFDCXSX-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561811 622138178 /nfs/dbraw/zinc/13/81/78/622138178.db2.gz LPHWXKZQFDCXSX-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])co1 ZINC000866665332 622154158 /nfs/dbraw/zinc/15/41/58/622154158.db2.gz UWWWHVRCTGLPPI-OAHLLOKOSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2CC[NH3+])co1 ZINC000866665332 622154160 /nfs/dbraw/zinc/15/41/60/622154160.db2.gz UWWWHVRCTGLPPI-OAHLLOKOSA-N 2 2 315.417 3.054 20 0 DGADLP Cn1c(Cl)cnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121746397 622176740 /nfs/dbraw/zinc/17/67/40/622176740.db2.gz RKVDAZVGTCWPJT-UHFFFAOYSA-N 2 2 324.900 3.162 20 0 DGADLP FC(F)(F)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000764406409 622192093 /nfs/dbraw/zinc/19/20/93/622192093.db2.gz IGSLPYLNGHFSNS-PHIMTYICSA-N 2 2 318.305 3.145 20 0 DGADLP FC(F)(F)[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000764406409 622192095 /nfs/dbraw/zinc/19/20/95/622192095.db2.gz IGSLPYLNGHFSNS-PHIMTYICSA-N 2 2 318.305 3.145 20 0 DGADLP FC(F)(F)[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000764406409 622192097 /nfs/dbraw/zinc/19/20/97/622192097.db2.gz IGSLPYLNGHFSNS-PHIMTYICSA-N 2 2 318.305 3.145 20 0 DGADLP FC(F)(F)[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000764406409 622192098 /nfs/dbraw/zinc/19/20/98/622192098.db2.gz IGSLPYLNGHFSNS-PHIMTYICSA-N 2 2 318.305 3.145 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000765251240 622253957 /nfs/dbraw/zinc/25/39/57/622253957.db2.gz NEXUPEQVWDYXDK-CJNGLKHVSA-N 2 2 301.438 3.055 20 0 DGADLP Cc1cc(C)cc([C@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)c1 ZINC000765857737 622291920 /nfs/dbraw/zinc/29/19/20/622291920.db2.gz DZKRUXSNPSBWHK-HXUWFJFHSA-N 2 2 309.457 3.472 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(F)c1 ZINC000765973165 622297490 /nfs/dbraw/zinc/29/74/90/622297490.db2.gz DEYQDMAZHNCJSW-SCLBCKFNSA-N 2 2 324.415 3.259 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000766223470 622313644 /nfs/dbraw/zinc/31/36/44/622313644.db2.gz OCWLHPOAUWITSE-ATLSCFEFSA-N 2 2 319.518 3.166 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000766223470 622313645 /nfs/dbraw/zinc/31/36/45/622313645.db2.gz OCWLHPOAUWITSE-ATLSCFEFSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000766515884 622335945 /nfs/dbraw/zinc/33/59/45/622335945.db2.gz TUIZZRYETGMUMH-INIZCTEOSA-N 2 2 321.428 3.420 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000122799386 622407105 /nfs/dbraw/zinc/40/71/05/622407105.db2.gz CXJZTEOCBFVYJJ-WFASDCNBSA-N 2 2 303.837 3.447 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000122799386 622407108 /nfs/dbraw/zinc/40/71/08/622407108.db2.gz CXJZTEOCBFVYJJ-WFASDCNBSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)nc1 ZINC000771387459 622751914 /nfs/dbraw/zinc/75/19/14/622751914.db2.gz DVCNNBPBUWMDMN-BBRMVZONSA-N 2 2 323.868 3.029 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462071 622762419 /nfs/dbraw/zinc/76/24/19/622762419.db2.gz HRNBOQZKLVJOLY-XLIONFOSSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462071 622762421 /nfs/dbraw/zinc/76/24/21/622762421.db2.gz HRNBOQZKLVJOLY-XLIONFOSSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462071 622762426 /nfs/dbraw/zinc/76/24/26/622762426.db2.gz HRNBOQZKLVJOLY-XLIONFOSSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462071 622762428 /nfs/dbraw/zinc/76/24/28/622762428.db2.gz HRNBOQZKLVJOLY-XLIONFOSSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000872056394 622780131 /nfs/dbraw/zinc/78/01/31/622780131.db2.gz RASHBDRKNYJPLG-KRWDZBQOSA-N 2 2 317.477 3.198 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000872121986 622819510 /nfs/dbraw/zinc/81/95/10/622819510.db2.gz INONGVGSXSZNKR-UKRRQHHQSA-N 2 2 316.474 3.025 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(-c3ccncc3)cs2)[C@H](C)C1 ZINC000872121986 622819516 /nfs/dbraw/zinc/81/95/16/622819516.db2.gz INONGVGSXSZNKR-UKRRQHHQSA-N 2 2 316.474 3.025 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872130125 622823489 /nfs/dbraw/zinc/82/34/89/622823489.db2.gz FDZCJEXRZAPEIA-NSHDSACASA-N 2 2 313.367 3.378 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147854 622833537 /nfs/dbraw/zinc/83/35/37/622833537.db2.gz FPAPAEPPWAVLKE-LJWDBELGSA-N 2 2 322.321 3.485 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147854 622833540 /nfs/dbraw/zinc/83/35/40/622833540.db2.gz FPAPAEPPWAVLKE-LJWDBELGSA-N 2 2 322.321 3.485 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158113 622839649 /nfs/dbraw/zinc/83/96/49/622839649.db2.gz SXZWPPRSDSGZBU-HOCLYGCPSA-N 2 2 320.481 3.142 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158113 622839652 /nfs/dbraw/zinc/83/96/52/622839652.db2.gz SXZWPPRSDSGZBU-HOCLYGCPSA-N 2 2 320.481 3.142 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773067239 622976977 /nfs/dbraw/zinc/97/69/77/622976977.db2.gz TYOMPCSJXDLSGF-LZQZEXGQSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000773067239 622976979 /nfs/dbraw/zinc/97/69/79/622976979.db2.gz TYOMPCSJXDLSGF-LZQZEXGQSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(F)n2)CC1 ZINC000773088218 622981747 /nfs/dbraw/zinc/98/17/47/622981747.db2.gz OKIYFWYTMAXVPQ-PBHICJAKSA-N 2 2 305.441 3.353 20 0 DGADLP CS[C@@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773096733 622983200 /nfs/dbraw/zinc/98/32/00/622983200.db2.gz XLPCSBQSOGYQNW-AWEZNQCLSA-N 2 2 307.507 3.063 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@H]2CCSC2)[C@H]2CCC[NH2+]2)cc1 ZINC000873234117 623086028 /nfs/dbraw/zinc/08/60/28/623086028.db2.gz AIFNRHDEEDUHQQ-QGTPRVQTSA-N 2 2 320.502 3.221 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@H]2CCCS2)[C@H]2CCC[NH2+]2)cc1 ZINC000873244932 623089685 /nfs/dbraw/zinc/08/96/85/623089685.db2.gz WFLDCANPVIOKBY-KURKYZTESA-N 2 2 320.502 3.364 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438703 623145007 /nfs/dbraw/zinc/14/50/07/623145007.db2.gz GRKRSRCMIHLKEG-DYVFJYSZSA-N 2 2 317.433 3.304 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000774438703 623145009 /nfs/dbraw/zinc/14/50/09/623145009.db2.gz GRKRSRCMIHLKEG-DYVFJYSZSA-N 2 2 317.433 3.304 20 0 DGADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000775012367 623215861 /nfs/dbraw/zinc/21/58/61/623215861.db2.gz HKPNGIADWILRMV-CQSZACIVSA-N 2 2 320.234 3.059 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775390843 623265630 /nfs/dbraw/zinc/26/56/30/623265630.db2.gz QFFJRRKCLUWHRE-WCVJEAGWSA-N 2 2 314.564 3.220 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775390843 623265632 /nfs/dbraw/zinc/26/56/32/623265632.db2.gz QFFJRRKCLUWHRE-WCVJEAGWSA-N 2 2 314.564 3.220 20 0 DGADLP Cc1ccc(N2CC[N@H+](CCCn3cc[nH+]c3)[C@@H](C)C2)cc1C ZINC000775972486 623359473 /nfs/dbraw/zinc/35/94/73/623359473.db2.gz LHHNWOUAJBCTLN-SFHVURJKSA-N 2 2 312.461 3.101 20 0 DGADLP Cc1ccc(N2CC[N@@H+](CCCn3cc[nH+]c3)[C@@H](C)C2)cc1C ZINC000775972486 623359479 /nfs/dbraw/zinc/35/94/79/623359479.db2.gz LHHNWOUAJBCTLN-SFHVURJKSA-N 2 2 312.461 3.101 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000125527256 623479476 /nfs/dbraw/zinc/47/94/76/623479476.db2.gz PCFOTLCLLWWHFL-OAHLLOKOSA-N 2 2 324.900 3.471 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000125527256 623479478 /nfs/dbraw/zinc/47/94/78/623479478.db2.gz PCFOTLCLLWWHFL-OAHLLOKOSA-N 2 2 324.900 3.471 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000777242742 623508336 /nfs/dbraw/zinc/50/83/36/623508336.db2.gz PHNMIPMHOAFJAE-HNNXBMFYSA-N 2 2 323.431 3.499 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000876762873 623700121 /nfs/dbraw/zinc/70/01/21/623700121.db2.gz AYTCODIRCMZMFY-VXGBXAGGSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000876762873 623700123 /nfs/dbraw/zinc/70/01/23/623700123.db2.gz AYTCODIRCMZMFY-VXGBXAGGSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762873 623700127 /nfs/dbraw/zinc/70/01/27/623700127.db2.gz AYTCODIRCMZMFY-VXGBXAGGSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(ccnc3Cl)o2)CC[NH+]1C ZINC000876762873 623700133 /nfs/dbraw/zinc/70/01/33/623700133.db2.gz AYTCODIRCMZMFY-VXGBXAGGSA-N 2 2 307.825 3.396 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cnn1-c1ccccc1 ZINC000779067591 623726788 /nfs/dbraw/zinc/72/67/88/623726788.db2.gz WUTTZQBVOYNQBI-ZBFHGGJFSA-N 2 2 321.428 3.043 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)nn1 ZINC000876993616 623762227 /nfs/dbraw/zinc/76/22/27/623762227.db2.gz LNFVOLCRZMEUBS-UHFFFAOYSA-N 2 2 322.884 3.264 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000877037675 623773166 /nfs/dbraw/zinc/77/31/66/623773166.db2.gz VBZCRHNRWXVITC-SXGZJXTBSA-N 2 2 304.415 3.173 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000877037675 623773169 /nfs/dbraw/zinc/77/31/69/623773169.db2.gz VBZCRHNRWXVITC-SXGZJXTBSA-N 2 2 304.415 3.173 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]CCC[C@@H]3CCO3)cc2)CC1 ZINC000877131048 623799444 /nfs/dbraw/zinc/79/94/44/623799444.db2.gz SLKUJKFZIQNRSB-LJQANCHMSA-N 2 2 317.477 3.198 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741442 624013418 /nfs/dbraw/zinc/01/34/18/624013418.db2.gz VVHGHZCCTLTEMA-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741442 624013420 /nfs/dbraw/zinc/01/34/20/624013420.db2.gz VVHGHZCCTLTEMA-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741442 624013422 /nfs/dbraw/zinc/01/34/22/624013422.db2.gz VVHGHZCCTLTEMA-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741442 624013424 /nfs/dbraw/zinc/01/34/24/624013424.db2.gz VVHGHZCCTLTEMA-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877741930 624014813 /nfs/dbraw/zinc/01/48/13/624014813.db2.gz BSQBTHXFJVMEGP-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877741930 624014816 /nfs/dbraw/zinc/01/48/16/624014816.db2.gz BSQBTHXFJVMEGP-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877741930 624014822 /nfs/dbraw/zinc/01/48/22/624014822.db2.gz BSQBTHXFJVMEGP-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1OC ZINC000877741930 624014826 /nfs/dbraw/zinc/01/48/26/624014826.db2.gz BSQBTHXFJVMEGP-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CC[N@H+](CC[C@H](O)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150592 624190673 /nfs/dbraw/zinc/19/06/73/624190673.db2.gz MWLMMXASILXUPR-SFHVURJKSA-N 2 2 319.493 3.027 20 0 DGADLP CC[N@@H+](CC[C@H](O)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150592 624190674 /nfs/dbraw/zinc/19/06/74/624190674.db2.gz MWLMMXASILXUPR-SFHVURJKSA-N 2 2 319.493 3.027 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176179 624202250 /nfs/dbraw/zinc/20/22/50/624202250.db2.gz JHYAUWMIKIDPOU-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176179 624202252 /nfs/dbraw/zinc/20/22/52/624202252.db2.gz JHYAUWMIKIDPOU-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176179 624202254 /nfs/dbraw/zinc/20/22/54/624202254.db2.gz JHYAUWMIKIDPOU-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176179 624202256 /nfs/dbraw/zinc/20/22/56/624202256.db2.gz JHYAUWMIKIDPOU-FYQPLNBISA-N 2 2 314.473 3.465 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396748 624266200 /nfs/dbraw/zinc/26/62/00/624266200.db2.gz KOJVBOSIVAULIT-MAUKXSAKSA-N 2 2 311.429 3.482 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3CC4(CCC4)CO3)CC2)c[nH+]1 ZINC000878402695 624268690 /nfs/dbraw/zinc/26/86/90/624268690.db2.gz OONWFJRLGQCOAD-SFHVURJKSA-N 2 2 317.477 3.335 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782755329 624279927 /nfs/dbraw/zinc/27/99/27/624279927.db2.gz BOZVRKRTNCCSAV-RTBURBONSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782755329 624279931 /nfs/dbraw/zinc/27/99/31/624279931.db2.gz BOZVRKRTNCCSAV-RTBURBONSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782764942 624280714 /nfs/dbraw/zinc/28/07/14/624280714.db2.gz BVJKMHDZFHWLMJ-LJQANCHMSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782764942 624280717 /nfs/dbraw/zinc/28/07/17/624280717.db2.gz BVJKMHDZFHWLMJ-LJQANCHMSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782769499 624281771 /nfs/dbraw/zinc/28/17/71/624281771.db2.gz WMFZLRBEXCEMHV-LPHOPBHVSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782769499 624281773 /nfs/dbraw/zinc/28/17/73/624281773.db2.gz WMFZLRBEXCEMHV-LPHOPBHVSA-N 2 2 302.462 3.228 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000879203097 624450339 /nfs/dbraw/zinc/45/03/39/624450339.db2.gz YCXKJRYCUNGFKB-KRWDZBQOSA-N 2 2 322.880 3.324 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579446 624597723 /nfs/dbraw/zinc/59/77/23/624597723.db2.gz LOIJLWZJROTULF-SJORKVTESA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579446 624597726 /nfs/dbraw/zinc/59/77/26/624597726.db2.gz LOIJLWZJROTULF-SJORKVTESA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579446 624597728 /nfs/dbraw/zinc/59/77/28/624597728.db2.gz LOIJLWZJROTULF-SJORKVTESA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579446 624597735 /nfs/dbraw/zinc/59/77/35/624597735.db2.gz LOIJLWZJROTULF-SJORKVTESA-N 2 2 311.429 3.176 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581158 624599638 /nfs/dbraw/zinc/59/96/38/624599638.db2.gz XKIAPIWDPHOJKW-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581158 624599644 /nfs/dbraw/zinc/59/96/44/624599644.db2.gz XKIAPIWDPHOJKW-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581158 624599648 /nfs/dbraw/zinc/59/96/48/624599648.db2.gz XKIAPIWDPHOJKW-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3Br)CC[C@H]21 ZINC000879581158 624599649 /nfs/dbraw/zinc/59/96/49/624599649.db2.gz XKIAPIWDPHOJKW-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880131610 624799720 /nfs/dbraw/zinc/79/97/20/624799720.db2.gz JPXDPFAYAXBRJI-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880131610 624799723 /nfs/dbraw/zinc/79/97/23/624799723.db2.gz JPXDPFAYAXBRJI-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131610 624799726 /nfs/dbraw/zinc/79/97/26/624799726.db2.gz JPXDPFAYAXBRJI-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131610 624799730 /nfs/dbraw/zinc/79/97/30/624799730.db2.gz JPXDPFAYAXBRJI-QZTJIDSGSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880133405 624801601 /nfs/dbraw/zinc/80/16/01/624801601.db2.gz TXSDSLLHMHKFCX-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880133405 624801607 /nfs/dbraw/zinc/80/16/07/624801607.db2.gz TXSDSLLHMHKFCX-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133405 624801613 /nfs/dbraw/zinc/80/16/13/624801613.db2.gz TXSDSLLHMHKFCX-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133405 624801618 /nfs/dbraw/zinc/80/16/18/624801618.db2.gz TXSDSLLHMHKFCX-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140225 624804405 /nfs/dbraw/zinc/80/44/05/624804405.db2.gz GGLZODGANVQWTF-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140225 624804408 /nfs/dbraw/zinc/80/44/08/624804408.db2.gz GGLZODGANVQWTF-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140225 624804411 /nfs/dbraw/zinc/80/44/11/624804411.db2.gz GGLZODGANVQWTF-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000880140225 624804413 /nfs/dbraw/zinc/80/44/13/624804413.db2.gz GGLZODGANVQWTF-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000880139922 624804725 /nfs/dbraw/zinc/80/47/25/624804725.db2.gz AXQWIJQXKPFGAG-INDMIFKZSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000880139922 624804727 /nfs/dbraw/zinc/80/47/27/624804727.db2.gz AXQWIJQXKPFGAG-INDMIFKZSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000880139922 624804731 /nfs/dbraw/zinc/80/47/31/624804731.db2.gz AXQWIJQXKPFGAG-INDMIFKZSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000880139922 624804734 /nfs/dbraw/zinc/80/47/34/624804734.db2.gz AXQWIJQXKPFGAG-INDMIFKZSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138035 624804774 /nfs/dbraw/zinc/80/47/74/624804774.db2.gz OSSRFJNXALBLMV-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138035 624804777 /nfs/dbraw/zinc/80/47/77/624804777.db2.gz OSSRFJNXALBLMV-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCSCc1ccccc1 ZINC000880138035 624804779 /nfs/dbraw/zinc/80/47/79/624804779.db2.gz OSSRFJNXALBLMV-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCSCc1ccccc1 ZINC000880138035 624804782 /nfs/dbraw/zinc/80/47/82/624804782.db2.gz OSSRFJNXALBLMV-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202763 624838453 /nfs/dbraw/zinc/83/84/53/624838453.db2.gz SHJBOTJMFFRMGS-ZBFHGGJFSA-N 2 2 316.436 3.045 20 0 DGADLP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880202763 624838455 /nfs/dbraw/zinc/83/84/55/624838455.db2.gz SHJBOTJMFFRMGS-ZBFHGGJFSA-N 2 2 316.436 3.045 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(C)c1 ZINC000880208779 624842989 /nfs/dbraw/zinc/84/29/89/624842989.db2.gz LTJVZRGJHUEOJS-LJQANCHMSA-N 2 2 316.489 3.345 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(C)c1 ZINC000880208779 624842993 /nfs/dbraw/zinc/84/29/93/624842993.db2.gz LTJVZRGJHUEOJS-LJQANCHMSA-N 2 2 316.489 3.345 20 0 DGADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209371 624844095 /nfs/dbraw/zinc/84/40/95/624844095.db2.gz SWDPFGRRWXXQBX-XLIONFOSSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209371 624844098 /nfs/dbraw/zinc/84/40/98/624844098.db2.gz SWDPFGRRWXXQBX-XLIONFOSSA-N 2 2 316.489 3.241 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000880469466 624963375 /nfs/dbraw/zinc/96/33/75/624963375.db2.gz AJDBSCKYVHMVOF-UHFFFAOYSA-N 2 2 308.853 3.279 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c2ccccc2)c[nH+]1 ZINC000880569474 624979017 /nfs/dbraw/zinc/97/90/17/624979017.db2.gz FBBYEYBVTIYCRT-CADBVGFASA-N 2 2 311.429 3.172 20 0 DGADLP CC(C)CC[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568869 624979172 /nfs/dbraw/zinc/97/91/72/624979172.db2.gz FOVRGYKMRMIKAN-MSOLQXFVSA-N 2 2 301.434 3.011 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000788507780 625201765 /nfs/dbraw/zinc/20/17/65/625201765.db2.gz OYCXIRIBDZCIBC-INIZCTEOSA-N 2 2 313.405 3.071 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1cc[nH]c(=O)c1 ZINC000788817019 625275280 /nfs/dbraw/zinc/27/52/80/625275280.db2.gz WLBGVRQMEPPZTQ-MRXNPFEDSA-N 2 2 317.477 3.484 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193795 625965585 /nfs/dbraw/zinc/96/55/85/625965585.db2.gz GHQCLHGJGBSOGH-BEFAXECRSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193795 625965590 /nfs/dbraw/zinc/96/55/90/625965590.db2.gz GHQCLHGJGBSOGH-BEFAXECRSA-N 2 2 320.452 3.367 20 0 DGADLP CC(C)Oc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000796266841 626033427 /nfs/dbraw/zinc/03/34/27/626033427.db2.gz SSMNIHIOSCTTLN-UHFFFAOYSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000797064756 626109633 /nfs/dbraw/zinc/10/96/33/626109633.db2.gz JMZHOODFZRQLBU-KBXCAEBGSA-N 2 2 319.518 3.063 20 0 DGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc(Cl)n1 ZINC000797596029 626157459 /nfs/dbraw/zinc/15/74/59/626157459.db2.gz NYGDSSUUVOYWBX-CQSZACIVSA-N 2 2 306.841 3.444 20 0 DGADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1F ZINC000800224701 626342997 /nfs/dbraw/zinc/34/29/97/626342997.db2.gz JAMZHCISOPBTBI-OAHLLOKOSA-N 2 2 305.397 3.235 20 0 DGADLP COC[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883315407 626643567 /nfs/dbraw/zinc/64/35/67/626643567.db2.gz KQDJUGBAWJPHKW-FGTMMUONSA-N 2 2 302.462 3.054 20 0 DGADLP COC[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883315407 626643569 /nfs/dbraw/zinc/64/35/69/626643569.db2.gz KQDJUGBAWJPHKW-FGTMMUONSA-N 2 2 302.462 3.054 20 0 DGADLP FCC1(CF)CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387629 626669429 /nfs/dbraw/zinc/66/94/29/626669429.db2.gz ASRNAZIGFKCMSR-MRXNPFEDSA-N 2 2 305.372 3.302 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387666 626669518 /nfs/dbraw/zinc/66/95/18/626669518.db2.gz BUKYUGQMOJWXIK-MSOLQXFVSA-N 2 2 312.461 3.087 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387666 626669519 /nfs/dbraw/zinc/66/95/19/626669519.db2.gz BUKYUGQMOJWXIK-MSOLQXFVSA-N 2 2 312.461 3.087 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n(C)n1 ZINC000883387998 626669529 /nfs/dbraw/zinc/66/95/29/626669529.db2.gz KDAIQZPEERKGHC-DOTOQJQBSA-N 2 2 309.417 3.017 20 0 DGADLP COCC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388531 626670279 /nfs/dbraw/zinc/67/02/79/626670279.db2.gz XARLYKRPVJQXLA-KVZIAJEVSA-N 2 2 313.445 3.419 20 0 DGADLP Cc1ccc2c(C[N@@H+]3[C@@H](C)[C@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445629 626683708 /nfs/dbraw/zinc/68/37/08/626683708.db2.gz GYOSONAIEGMGKY-YCPHGPKFSA-N 2 2 314.429 3.049 20 0 DGADLP Cc1ccc2c(C[N@H+]3[C@@H](C)[C@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445629 626683709 /nfs/dbraw/zinc/68/37/09/626683709.db2.gz GYOSONAIEGMGKY-YCPHGPKFSA-N 2 2 314.429 3.049 20 0 DGADLP CC(C)C(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000808756457 626859237 /nfs/dbraw/zinc/85/92/37/626859237.db2.gz MPZNLTOIIRHCII-OAHLLOKOSA-N 2 2 303.450 3.014 20 0 DGADLP CC(C)C(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000808756457 626859238 /nfs/dbraw/zinc/85/92/38/626859238.db2.gz MPZNLTOIIRHCII-OAHLLOKOSA-N 2 2 303.450 3.014 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000809755546 626947131 /nfs/dbraw/zinc/94/71/31/626947131.db2.gz KGHGJSDEHCOVKG-UHFFFAOYSA-N 2 2 302.422 3.223 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000809755546 626947135 /nfs/dbraw/zinc/94/71/35/626947135.db2.gz KGHGJSDEHCOVKG-UHFFFAOYSA-N 2 2 302.422 3.223 20 0 DGADLP COc1cc(C)cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1OC ZINC000885918987 627060086 /nfs/dbraw/zinc/06/00/86/627060086.db2.gz GQYLHBYZQVFHHS-UHFFFAOYSA-N 2 2 320.477 3.222 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000886012192 627083138 /nfs/dbraw/zinc/08/31/38/627083138.db2.gz BLWMLYLKWXXBEY-KSSFIOAISA-N 2 2 312.461 3.169 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000886012192 627083141 /nfs/dbraw/zinc/08/31/41/627083141.db2.gz BLWMLYLKWXXBEY-KSSFIOAISA-N 2 2 312.461 3.169 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000886091984 627101340 /nfs/dbraw/zinc/10/13/40/627101340.db2.gz LMJLTYGWQUMGGH-FUHWJXTLSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000886091984 627101342 /nfs/dbraw/zinc/10/13/42/627101342.db2.gz LMJLTYGWQUMGGH-FUHWJXTLSA-N 2 2 306.494 3.475 20 0 DGADLP FC(F)(F)SCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000886319416 627136100 /nfs/dbraw/zinc/13/61/00/627136100.db2.gz CWDBWVRHGSEPLF-CYBMUJFWSA-N 2 2 315.364 3.467 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641251 627178412 /nfs/dbraw/zinc/17/84/12/627178412.db2.gz DOFLLAMNICQQPK-MSOLQXFVSA-N 2 2 304.482 3.114 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641251 627178414 /nfs/dbraw/zinc/17/84/14/627178414.db2.gz DOFLLAMNICQQPK-MSOLQXFVSA-N 2 2 304.482 3.114 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641252 627178456 /nfs/dbraw/zinc/17/84/56/627178456.db2.gz DOFLLAMNICQQPK-QZTJIDSGSA-N 2 2 304.482 3.114 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641252 627178458 /nfs/dbraw/zinc/17/84/58/627178458.db2.gz DOFLLAMNICQQPK-QZTJIDSGSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)[nH+]c1C ZINC000886668672 627184822 /nfs/dbraw/zinc/18/48/22/627184822.db2.gz XJIKKAYQLJCLTQ-CYBMUJFWSA-N 2 2 317.437 3.474 20 0 DGADLP COCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)c(C)c1 ZINC000887110113 627226111 /nfs/dbraw/zinc/22/61/11/627226111.db2.gz CAMGFGXZIOOYGV-UHFFFAOYSA-N 2 2 301.434 3.039 20 0 DGADLP COCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)c(C)c1 ZINC000887110113 627226113 /nfs/dbraw/zinc/22/61/13/627226113.db2.gz CAMGFGXZIOOYGV-UHFFFAOYSA-N 2 2 301.434 3.039 20 0 DGADLP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc(Cl)n1 ZINC000887135144 627228055 /nfs/dbraw/zinc/22/80/55/627228055.db2.gz WVWSQSZCWLBNML-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc(Cl)n1 ZINC000887135144 627228057 /nfs/dbraw/zinc/22/80/57/627228057.db2.gz WVWSQSZCWLBNML-AWEZNQCLSA-N 2 2 316.836 3.149 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000813861846 627516741 /nfs/dbraw/zinc/51/67/41/627516741.db2.gz BKOSRSXTAXTGHF-IIDMSEBBSA-N 2 2 317.477 3.294 20 0 DGADLP CSCc1cnc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000815117180 627629467 /nfs/dbraw/zinc/62/94/67/627629467.db2.gz MXZMWLINKVMVLH-ZDUSSCGKSA-N 2 2 324.519 3.407 20 0 DGADLP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cn2c([nH+]1)CCCC2 ZINC000924584413 627652449 /nfs/dbraw/zinc/65/24/49/627652449.db2.gz JOAVTIXJOVHSSA-YJBOKZPZSA-N 2 2 312.461 3.173 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000924617182 627657829 /nfs/dbraw/zinc/65/78/29/627657829.db2.gz KNRSKLVBEDLQDN-GFCCVEGCSA-N 2 2 314.271 3.225 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000924617182 627657831 /nfs/dbraw/zinc/65/78/31/627657831.db2.gz KNRSKLVBEDLQDN-GFCCVEGCSA-N 2 2 314.271 3.225 20 0 DGADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924626477 627659470 /nfs/dbraw/zinc/65/94/70/627659470.db2.gz WBTFPMYJZIGTHU-RBUKOAKNSA-N 2 2 315.461 3.351 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(OC)n1 ZINC000924629617 627660160 /nfs/dbraw/zinc/66/01/60/627660160.db2.gz VQUAHEWAHSEQFR-INIZCTEOSA-N 2 2 305.466 3.251 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924675763 627665612 /nfs/dbraw/zinc/66/56/12/627665612.db2.gz UZJWLXVTNMKGTQ-ZHALLVOQSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924675763 627665614 /nfs/dbraw/zinc/66/56/14/627665614.db2.gz UZJWLXVTNMKGTQ-ZHALLVOQSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)n1 ZINC000924697446 627669351 /nfs/dbraw/zinc/66/93/51/627669351.db2.gz TVPWFUJGEYSITI-XQQFMLRXSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)n1 ZINC000924697446 627669355 /nfs/dbraw/zinc/66/93/55/627669355.db2.gz TVPWFUJGEYSITI-XQQFMLRXSA-N 2 2 324.266 3.122 20 0 DGADLP COc1cccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1OC ZINC000924715609 627672251 /nfs/dbraw/zinc/67/22/51/627672251.db2.gz VYASSNHCYKVQSA-UHFFFAOYSA-N 2 2 320.477 3.304 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1(Br)CC1 ZINC000924926690 627694320 /nfs/dbraw/zinc/69/43/20/627694320.db2.gz MJDJVHSIKKXLSZ-GFCCVEGCSA-N 2 2 312.255 3.179 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000925008679 627700252 /nfs/dbraw/zinc/70/02/52/627700252.db2.gz DOWOTTOQBBWINW-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccn2)c1 ZINC000925008679 627700255 /nfs/dbraw/zinc/70/02/55/627700255.db2.gz DOWOTTOQBBWINW-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925158846 627714579 /nfs/dbraw/zinc/71/45/79/627714579.db2.gz BJCQPXOTVLYZNG-IKGGRYGDSA-N 2 2 318.461 3.069 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925158846 627714582 /nfs/dbraw/zinc/71/45/82/627714582.db2.gz BJCQPXOTVLYZNG-IKGGRYGDSA-N 2 2 318.461 3.069 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1(Cl)CC1 ZINC000925181908 627716380 /nfs/dbraw/zinc/71/63/80/627716380.db2.gz ZJUSUAQYNBMTCN-DZGCQCFKSA-N 2 2 303.837 3.453 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000925493261 627741847 /nfs/dbraw/zinc/74/18/47/627741847.db2.gz JSJQSMWPUUTQTM-OXQOHEQNSA-N 2 2 309.457 3.334 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925502356 627743099 /nfs/dbraw/zinc/74/30/99/627743099.db2.gz KWPIZGSJLVMUQI-MNEFBYGVSA-N 3 2 313.489 3.072 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000925512875 627745127 /nfs/dbraw/zinc/74/51/27/627745127.db2.gz CSHVKPDNLFQEBX-BHYGNILZSA-N 3 2 312.461 3.429 20 0 DGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514505 627745574 /nfs/dbraw/zinc/74/55/74/627745574.db2.gz PNFXCEWMZGAERP-GJYPPUQNSA-N 3 2 303.494 3.128 20 0 DGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925514505 627745578 /nfs/dbraw/zinc/74/55/78/627745578.db2.gz PNFXCEWMZGAERP-GJYPPUQNSA-N 3 2 303.494 3.128 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000925539153 627750006 /nfs/dbraw/zinc/75/00/06/627750006.db2.gz ZCFVSHIQTHHCLZ-ZWOKBUDYSA-N 2 2 309.457 3.191 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C12CCC2 ZINC000925564910 627755277 /nfs/dbraw/zinc/75/52/77/627755277.db2.gz MUZMQSWDJCEVDR-QWHCGFSZSA-N 2 2 307.850 3.309 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccco1 ZINC000925615663 627762654 /nfs/dbraw/zinc/76/26/54/627762654.db2.gz HJIFQQRMIAWKIC-XYVMCAHJSA-N 2 2 319.493 3.029 20 0 DGADLP c1cn(C2CCCC2)nc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925616542 627763413 /nfs/dbraw/zinc/76/34/13/627763413.db2.gz MTZWTCMEJOQMKP-OALUTQOASA-N 2 2 316.493 3.256 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)N[C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000925621261 627764361 /nfs/dbraw/zinc/76/43/61/627764361.db2.gz GKGMMQMPJQNWTN-RTBURBONSA-N 2 2 324.472 3.115 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000925638797 627766928 /nfs/dbraw/zinc/76/69/28/627766928.db2.gz GDGGFFOHLXONPP-QGZBPCDMSA-N 2 2 324.468 3.495 20 0 DGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)OC(C)C ZINC000925640914 627767865 /nfs/dbraw/zinc/76/78/65/627767865.db2.gz KHDZHAVKVABFPC-ROUUACIJSA-N 2 2 318.461 3.036 20 0 DGADLP Cc1ccc([C@@H](C2CC2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925747295 627786341 /nfs/dbraw/zinc/78/63/41/627786341.db2.gz HDWQHPGNPKDSMZ-SFHVURJKSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1ccc([C@@H](C2CC2)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925747295 627786346 /nfs/dbraw/zinc/78/63/46/627786346.db2.gz HDWQHPGNPKDSMZ-SFHVURJKSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1ccc([C@@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c(C)c1 ZINC000925751384 627787781 /nfs/dbraw/zinc/78/77/81/627787781.db2.gz PDWQXGVNTDPQNY-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1ccc([C@@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c(C)c1 ZINC000925751384 627787783 /nfs/dbraw/zinc/78/77/83/627787783.db2.gz PDWQXGVNTDPQNY-CYBMUJFWSA-N 2 2 301.459 3.338 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CCCC2 ZINC000925770879 627792137 /nfs/dbraw/zinc/79/21/37/627792137.db2.gz XHKSENMUAWYGDA-KBRIMQKVSA-N 2 2 318.461 3.201 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)s1 ZINC000925795763 627796268 /nfs/dbraw/zinc/79/62/68/627796268.db2.gz PRMDIUCQAZPECG-ZIAGYGMSSA-N 2 2 308.491 3.120 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925795878 627797200 /nfs/dbraw/zinc/79/72/00/627797200.db2.gz QRUKZXMZABOHTB-CJNGLKHVSA-N 2 2 308.853 3.149 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc2ncccc2c1)c1ccccc1 ZINC000925815519 627800065 /nfs/dbraw/zinc/80/00/65/627800065.db2.gz XSENJXCPODMNRS-FOIQADDNSA-N 2 2 305.425 3.455 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288173 627875273 /nfs/dbraw/zinc/87/52/73/627875273.db2.gz RDADSXOEXFLGAM-LPHOPBHVSA-N 2 2 317.477 3.013 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288173 627875277 /nfs/dbraw/zinc/87/52/77/627875277.db2.gz RDADSXOEXFLGAM-LPHOPBHVSA-N 2 2 317.477 3.013 20 0 DGADLP CC[C@@H]1COC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496736 627904693 /nfs/dbraw/zinc/90/46/93/627904693.db2.gz LHKKKPIAAKZDQR-IUODEOHRSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(C2CCC2)c1 ZINC000926676666 627931003 /nfs/dbraw/zinc/93/10/03/627931003.db2.gz VHUYHSJWMOREAV-WBAXXEDZSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C2CCC2)c1 ZINC000926676666 627931008 /nfs/dbraw/zinc/93/10/08/627931008.db2.gz VHUYHSJWMOREAV-WBAXXEDZSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2[nH]1 ZINC000926719972 627940182 /nfs/dbraw/zinc/94/01/82/627940182.db2.gz ZYIKQIKWWIGMNE-RHSMWYFYSA-N 2 2 313.445 3.072 20 0 DGADLP c1cc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n(-c2ccccc2)n1 ZINC000926881348 627969455 /nfs/dbraw/zinc/96/94/55/627969455.db2.gz YOTDTIGQGSSXBB-PMACEKPBSA-N 2 2 324.472 3.021 20 0 DGADLP c1cc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n(-c2ccccc2)n1 ZINC000926881348 627969458 /nfs/dbraw/zinc/96/94/58/627969458.db2.gz YOTDTIGQGSSXBB-PMACEKPBSA-N 2 2 324.472 3.021 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817967018 627977536 /nfs/dbraw/zinc/97/75/36/627977536.db2.gz CIVBWVOAKHDKIU-RVBZMBCESA-N 2 2 302.249 3.224 20 0 DGADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000926917146 627980446 /nfs/dbraw/zinc/98/04/46/627980446.db2.gz XCOQOXFEYPLXRV-KFKAGJAMSA-N 2 2 311.429 3.482 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000926922379 627982017 /nfs/dbraw/zinc/98/20/17/627982017.db2.gz HOOKOKWZRLUUHN-UXHICEINSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000926922379 627982018 /nfs/dbraw/zinc/98/20/18/627982018.db2.gz HOOKOKWZRLUUHN-UXHICEINSA-N 2 2 309.457 3.384 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000926938921 627985433 /nfs/dbraw/zinc/98/54/33/627985433.db2.gz PXSAJUVZEMTULZ-RMRDIRSESA-N 2 2 309.413 3.114 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(SC)c(F)c1)C[NH+](C)C ZINC000926962850 627990727 /nfs/dbraw/zinc/99/07/27/627990727.db2.gz NXXZSRIYBBQGFQ-OCCSQVGLSA-N 2 2 314.470 3.165 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)C[NH+](C)C ZINC000926961923 627990742 /nfs/dbraw/zinc/99/07/42/627990742.db2.gz PVFHPNJEGOJYAN-DGCLKSJQSA-N 2 2 302.821 3.096 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCCC4(CCC4)O3)CC2)[nH+]c1 ZINC000927012735 627996787 /nfs/dbraw/zinc/99/67/87/627996787.db2.gz BCPRXZYTJSRAQS-QGZVFWFLSA-N 2 2 315.461 3.132 20 0 DGADLP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000818945564 628064778 /nfs/dbraw/zinc/06/47/78/628064778.db2.gz KSGNHQJTYRWIQF-FQEVSTJZSA-N 2 2 321.424 3.063 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000819014457 628078406 /nfs/dbraw/zinc/07/84/06/628078406.db2.gz PWMLYHKWHKRRCF-VQIMIIECSA-N 2 2 312.457 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807831 628299024 /nfs/dbraw/zinc/29/90/24/628299024.db2.gz RWLQLIAJCDQDSF-SNRMKQJTSA-N 3 2 301.478 3.026 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807831 628299027 /nfs/dbraw/zinc/29/90/27/628299027.db2.gz RWLQLIAJCDQDSF-SNRMKQJTSA-N 3 2 301.478 3.026 20 0 DGADLP Fc1c(Cl)nccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000823782977 628596565 /nfs/dbraw/zinc/59/65/65/628596565.db2.gz VWUGTHLKOUMKJB-UHFFFAOYSA-N 2 2 308.788 3.251 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000834830302 629786311 /nfs/dbraw/zinc/78/63/11/629786311.db2.gz BQKXAPKCMOGXLS-AKHDSKFASA-N 2 2 322.456 3.113 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000834830302 629786317 /nfs/dbraw/zinc/78/63/17/629786317.db2.gz BQKXAPKCMOGXLS-AKHDSKFASA-N 2 2 322.456 3.113 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000842829700 630580998 /nfs/dbraw/zinc/58/09/98/630580998.db2.gz LHAUFTKUJKOYTP-RHSMWYFYSA-N 2 2 315.465 3.181 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000842829708 630581129 /nfs/dbraw/zinc/58/11/29/630581129.db2.gz LHAUFTKUJKOYTP-YOEHRIQHSA-N 2 2 315.465 3.181 20 0 DGADLP COc1cccc2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)oc21 ZINC000843054254 630608930 /nfs/dbraw/zinc/60/89/30/630608930.db2.gz HREKWPHMHCCFKH-UHFFFAOYSA-N 2 2 314.429 3.405 20 0 DGADLP CC(C)([NH3+])C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000843063457 630610420 /nfs/dbraw/zinc/61/04/20/630610420.db2.gz BXMNYDVEUGAIHO-OAHLLOKOSA-N 2 2 304.459 3.021 20 0 DGADLP CC(C)([NH3+])C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000843063457 630610423 /nfs/dbraw/zinc/61/04/23/630610423.db2.gz BXMNYDVEUGAIHO-OAHLLOKOSA-N 2 2 304.459 3.021 20 0 DGADLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849016887 631808228 /nfs/dbraw/zinc/80/82/28/631808228.db2.gz PHNUPGNBSOBBME-BBRMVZONSA-N 2 2 322.884 3.389 20 0 DGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])Nc1ccccc1)c1ccco1 ZINC000849023443 631810502 /nfs/dbraw/zinc/81/05/02/631810502.db2.gz UXYFCRNCWQLTHY-HIFRSBDPSA-N 2 2 300.406 3.345 20 0 DGADLP CC(C)CCNC(=[NH2+])NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000849091408 631832732 /nfs/dbraw/zinc/83/27/32/631832732.db2.gz DPGCCAAQMCPCTC-OAHLLOKOSA-N 2 2 310.873 3.103 20 0 DGADLP COCc1csc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000850060856 632043819 /nfs/dbraw/zinc/04/38/19/632043819.db2.gz VQKSEDLLJAIGLD-HNNXBMFYSA-N 2 2 307.463 3.296 20 0 DGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850555879 632191957 /nfs/dbraw/zinc/19/19/57/632191957.db2.gz CVHBZIRUVXYPFU-PMACEKPBSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000851901634 632518677 /nfs/dbraw/zinc/51/86/77/632518677.db2.gz DCFIAUFIPYYAGK-OLZOCXBDSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000851901634 632518680 /nfs/dbraw/zinc/51/86/80/632518680.db2.gz DCFIAUFIPYYAGK-OLZOCXBDSA-N 2 2 318.383 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC3)CC2)c(C)[nH+]1 ZINC001034694690 660783931 /nfs/dbraw/zinc/78/39/31/660783931.db2.gz YGQRTROGSYWJCF-QAQDUYKDSA-N 2 2 315.461 3.047 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)n(C)n1 ZINC000793535022 661042789 /nfs/dbraw/zinc/04/27/89/661042789.db2.gz OJONETLGDSQAGX-RDJZCZTQSA-N 2 2 323.444 3.097 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)n(C)n1 ZINC000793535023 661043137 /nfs/dbraw/zinc/04/31/37/661043137.db2.gz OJONETLGDSQAGX-WBVHZDCISA-N 2 2 323.444 3.097 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(O)c1Cl ZINC000328210461 656056780 /nfs/dbraw/zinc/05/67/80/656056780.db2.gz IMLBLQIBKBQKBC-CQSZACIVSA-N 2 2 307.825 3.447 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2ccccc2n1 ZINC000319913972 656818697 /nfs/dbraw/zinc/81/86/97/656818697.db2.gz PIFAETFFDLWROA-KRWDZBQOSA-N 2 2 309.417 3.031 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1Cl ZINC000067500662 657586575 /nfs/dbraw/zinc/58/65/75/657586575.db2.gz OQCULQHFXOMZEB-CYBMUJFWSA-N 2 2 323.872 3.267 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000322443306 658521122 /nfs/dbraw/zinc/52/11/22/658521122.db2.gz SDNRADMXQADKDK-MRXNPFEDSA-N 2 2 312.461 3.396 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cn2ncc(Cl)c2C)CC1 ZINC000156682481 658934069 /nfs/dbraw/zinc/93/40/69/658934069.db2.gz LQOHEQJZFHMPSV-UHFFFAOYSA-N 2 2 312.889 3.246 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2ncc(Cl)c2C)CC1 ZINC000156682481 658934071 /nfs/dbraw/zinc/93/40/71/658934071.db2.gz LQOHEQJZFHMPSV-UHFFFAOYSA-N 2 2 312.889 3.246 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164651898 658940039 /nfs/dbraw/zinc/94/00/39/658940039.db2.gz GGNAMNVBMIVRGG-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164651898 658940041 /nfs/dbraw/zinc/94/00/41/658940041.db2.gz GGNAMNVBMIVRGG-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164651898 658940042 /nfs/dbraw/zinc/94/00/42/658940042.db2.gz GGNAMNVBMIVRGG-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3c4ccccc4oc3=S)CC[C@@H]21 ZINC000164651898 658940044 /nfs/dbraw/zinc/94/00/44/658940044.db2.gz GGNAMNVBMIVRGG-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074698 660036507 /nfs/dbraw/zinc/03/65/07/660036507.db2.gz QAOOPCCXGIHUNG-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074698 660036509 /nfs/dbraw/zinc/03/65/09/660036509.db2.gz QAOOPCCXGIHUNG-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929690331 661328646 /nfs/dbraw/zinc/32/86/46/661328646.db2.gz PFAQESSELBUCOZ-ILXRZTDVSA-N 2 2 320.399 3.047 20 0 DGADLP FC(F)(F)[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929690331 661328647 /nfs/dbraw/zinc/32/86/47/661328647.db2.gz PFAQESSELBUCOZ-ILXRZTDVSA-N 2 2 320.399 3.047 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](Cc3cc(F)cc4cccnc43)C[C@]2(C)C1 ZINC000931307011 661465820 /nfs/dbraw/zinc/46/58/20/661465820.db2.gz NFVAPRWSLDCCSS-OALUTQOASA-N 2 2 313.420 3.148 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@]2(C)C1 ZINC000931316795 661466542 /nfs/dbraw/zinc/46/65/42/661466542.db2.gz KMVMEPSWBSBCKJ-RTBURBONSA-N 2 2 311.429 3.115 20 0 DGADLP CO[C@@H](C[NH+]1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000931352460 661469882 /nfs/dbraw/zinc/46/98/82/661469882.db2.gz LWXBCDOEAGSJHX-INIZCTEOSA-N 2 2 310.869 3.444 20 0 DGADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000931355544 661470227 /nfs/dbraw/zinc/47/02/27/661470227.db2.gz QZSTUUZIBBLVGZ-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCC[C@@H](c3ccccc3)O1)CC2 ZINC000931516108 661484721 /nfs/dbraw/zinc/48/47/21/661484721.db2.gz HNZOYCRWMMPGOS-UZLBHIALSA-N 2 2 323.440 3.332 20 0 DGADLP COC[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000931707750 661500362 /nfs/dbraw/zinc/50/03/62/661500362.db2.gz SKOCQEXJGHDUTG-ZWKOTPCHSA-N 2 2 301.434 3.133 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)c[nH+]1 ZINC000933654959 661648769 /nfs/dbraw/zinc/64/87/69/661648769.db2.gz BDLSAGABIDHPGO-IBGZPJMESA-N 2 2 309.413 3.214 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)c[nH+]1 ZINC000933654959 661648771 /nfs/dbraw/zinc/64/87/71/661648771.db2.gz BDLSAGABIDHPGO-IBGZPJMESA-N 2 2 309.413 3.214 20 0 DGADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000187497152 661716235 /nfs/dbraw/zinc/71/62/35/661716235.db2.gz VPDGUQATVXDENB-HNNXBMFYSA-N 2 2 319.518 3.382 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000159604089 661891060 /nfs/dbraw/zinc/89/10/60/661891060.db2.gz NBONFTXACXKOLY-MRXNPFEDSA-N 2 2 319.518 3.207 20 0 DGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190953276 662050112 /nfs/dbraw/zinc/05/01/12/662050112.db2.gz UNWLIAIDDQOCCE-SNVBAGLBSA-N 2 2 311.788 3.116 20 0 DGADLP C[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3)cn2)C[C@H]1n1cc[nH+]c1 ZINC000246572039 662265232 /nfs/dbraw/zinc/26/52/32/662265232.db2.gz LGCMEHYEPMYHAD-VQIMIIECSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C[C@H]1n1cc[nH+]c1 ZINC000246572039 662265233 /nfs/dbraw/zinc/26/52/33/662265233.db2.gz LGCMEHYEPMYHAD-VQIMIIECSA-N 2 2 321.428 3.287 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394413 685229795 /nfs/dbraw/zinc/22/97/95/685229795.db2.gz KVPROQVNFIYBQA-NQBHXWOUSA-N 2 2 311.813 3.053 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394413 685229800 /nfs/dbraw/zinc/22/98/00/685229800.db2.gz KVPROQVNFIYBQA-NQBHXWOUSA-N 2 2 311.813 3.053 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576502379 1191833522 /nfs/dbraw/zinc/83/35/22/1191833522.db2.gz BQECUKMLRWXJEQ-APWZRJJASA-N 3 2 318.509 3.207 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001576502379 1191833584 /nfs/dbraw/zinc/83/35/84/1191833584.db2.gz BQECUKMLRWXJEQ-APWZRJJASA-N 3 2 318.509 3.207 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC001576671217 1191860627 /nfs/dbraw/zinc/86/06/27/1191860627.db2.gz UTZGMVOEQMAENW-MISYRCLQSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC001576671217 1191860635 /nfs/dbraw/zinc/86/06/35/1191860635.db2.gz UTZGMVOEQMAENW-MISYRCLQSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(Br)cc2)C[NH2+]1 ZINC001576669919 1191860745 /nfs/dbraw/zinc/86/07/45/1191860745.db2.gz CFSASKPFTYJWQF-RDYIKARRSA-N 2 2 309.251 3.192 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC001576671218 1191860969 /nfs/dbraw/zinc/86/09/69/1191860969.db2.gz UTZGMVOEQMAENW-RLLQIKCJSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC001576671218 1191860975 /nfs/dbraw/zinc/86/09/75/1191860975.db2.gz UTZGMVOEQMAENW-RLLQIKCJSA-N 3 2 315.505 3.161 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC001620780904 1191867360 /nfs/dbraw/zinc/86/73/60/1191867360.db2.gz FZBAJWZBQFGFNI-XCMRKIRBSA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC001620780904 1191867362 /nfs/dbraw/zinc/86/73/62/1191867362.db2.gz FZBAJWZBQFGFNI-XCMRKIRBSA-N 2 2 314.473 3.078 20 0 DGADLP CCC(CC)(C[NH3+])[NH2+]Cc1cccc(Br)c1F ZINC001577059685 1191882826 /nfs/dbraw/zinc/88/28/26/1191882826.db2.gz VAJUWKCLHJTAFD-UHFFFAOYSA-N 2 2 303.219 3.195 20 0 DGADLP CCC1([NH3+])CC[NH+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC001577230692 1191889802 /nfs/dbraw/zinc/88/98/02/1191889802.db2.gz WPYLVJBSAPZKDS-UHFFFAOYSA-N 2 2 302.340 3.130 20 0 DGADLP CC[NH2+]C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC001577821375 1191916576 /nfs/dbraw/zinc/91/65/76/1191916576.db2.gz LNCQBFKCRMHRPQ-UHFFFAOYSA-N 2 2 316.367 3.202 20 0 DGADLP CCOCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC001578122020 1191926943 /nfs/dbraw/zinc/92/69/43/1191926943.db2.gz IYDSSFRIAARYTL-RBUKOAKNSA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC001578122020 1191926948 /nfs/dbraw/zinc/92/69/48/1191926948.db2.gz IYDSSFRIAARYTL-RBUKOAKNSA-N 2 2 318.461 3.166 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC001578275337 1191936769 /nfs/dbraw/zinc/93/67/69/1191936769.db2.gz JBDFPQSGEATOEQ-KURKYZTESA-N 2 2 304.478 3.432 20 0 DGADLP Cn1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC001620787507 1191964225 /nfs/dbraw/zinc/96/42/25/1191964225.db2.gz ADSXGYHFHVNQIJ-UHFFFAOYSA-N 2 2 312.461 3.086 20 0 DGADLP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@H]([NH3+])CC(F)(F)F ZINC001579033199 1191964663 /nfs/dbraw/zinc/96/46/63/1191964663.db2.gz QWVQYZXSIJJOTB-OAHLLOKOSA-N 2 2 318.383 3.032 20 0 DGADLP COCC[N@H+](Cc1ccc(C)cc1C)C[C@H]([NH3+])CC(F)(F)F ZINC001579033199 1191964664 /nfs/dbraw/zinc/96/46/64/1191964664.db2.gz QWVQYZXSIJJOTB-OAHLLOKOSA-N 2 2 318.383 3.032 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2cc(C(C)(C)[NH3+])no2)cc1Cl ZINC001579212270 1191969231 /nfs/dbraw/zinc/96/92/31/1191969231.db2.gz NZHRGAOJXNZDIV-UHFFFAOYSA-N 2 2 323.824 3.162 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)[NH3+])no2)cc1Cl ZINC001579212270 1191969233 /nfs/dbraw/zinc/96/92/33/1191969233.db2.gz NZHRGAOJXNZDIV-UHFFFAOYSA-N 2 2 323.824 3.162 20 0 DGADLP Cc1ccccc1Cn1c2ccccc2[nH+]c1NCC1C[NH2+]C1 ZINC001579804283 1191994670 /nfs/dbraw/zinc/99/46/70/1191994670.db2.gz BLIRKQGCEDJBEQ-UHFFFAOYSA-N 2 2 306.413 3.024 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158650 1192010869 /nfs/dbraw/zinc/01/08/69/1192010869.db2.gz VJULNEYDTBYXMM-SUMWQHHRSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccc(Cl)cc3n1)C2 ZINC001580158650 1192010872 /nfs/dbraw/zinc/01/08/72/1192010872.db2.gz VJULNEYDTBYXMM-SUMWQHHRSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCc2ccc(F)cc2)CC[C@H]1c1ccc(F)cc1 ZINC001580395521 1192024738 /nfs/dbraw/zinc/02/47/38/1192024738.db2.gz PQGFEUSFHFKLDK-RBUKOAKNSA-N 2 2 316.395 3.324 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCc2ccc(F)cc2)CC[C@H]1c1ccc(F)cc1 ZINC001580395521 1192024740 /nfs/dbraw/zinc/02/47/40/1192024740.db2.gz PQGFEUSFHFKLDK-RBUKOAKNSA-N 2 2 316.395 3.324 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2F)C[C@H](C)O1 ZINC001620705832 1192070732 /nfs/dbraw/zinc/07/07/32/1192070732.db2.gz ZXCZIKDWHJINLP-SAJISDGCSA-N 2 2 324.415 3.067 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2F)C[C@H](C)O1 ZINC001620705832 1192070734 /nfs/dbraw/zinc/07/07/34/1192070734.db2.gz ZXCZIKDWHJINLP-SAJISDGCSA-N 2 2 324.415 3.067 20 0 DGADLP CCO[C@H](C[NH2+]C/C=C/c1c(C)cc(C)cc1C)C[NH+](C)C ZINC001621064135 1192462248 /nfs/dbraw/zinc/46/22/48/1192462248.db2.gz OHXFNKTXKACBMS-GFOMBABLSA-N 2 2 304.478 3.181 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC/C=C/c3ccccc3)[nH+]c2)C1 ZINC001620867077 1192487327 /nfs/dbraw/zinc/48/73/27/1192487327.db2.gz SWPZBHOMPKIQPF-AIADIJKESA-N 2 2 322.456 3.347 20 0 DGADLP C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000250243607 1176587280 /nfs/dbraw/zinc/58/72/80/1176587280.db2.gz RZJNBNVDWADQRK-VXGBXAGGSA-N 2 2 303.269 3.212 20 0 DGADLP C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000250243607 1176587285 /nfs/dbraw/zinc/58/72/85/1176587285.db2.gz RZJNBNVDWADQRK-VXGBXAGGSA-N 2 2 303.269 3.212 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001331250986 1178164354 /nfs/dbraw/zinc/16/43/54/1178164354.db2.gz AFJYPBJWRJCBKO-SJORKVTESA-N 2 2 317.477 3.024 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001331250986 1178164355 /nfs/dbraw/zinc/16/43/55/1178164355.db2.gz AFJYPBJWRJCBKO-SJORKVTESA-N 2 2 317.477 3.024 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cc2)[nH+]c1C ZINC001333257210 1178577801 /nfs/dbraw/zinc/57/78/01/1178577801.db2.gz LBWMNQVMNDPDBP-SJORKVTESA-N 2 2 324.428 3.163 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC001334217817 1178736740 /nfs/dbraw/zinc/73/67/40/1178736740.db2.gz PRJCTSZNJLPSSV-MRXNPFEDSA-N 2 2 324.472 3.149 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC001334217817 1178736742 /nfs/dbraw/zinc/73/67/42/1178736742.db2.gz PRJCTSZNJLPSSV-MRXNPFEDSA-N 2 2 324.472 3.149 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](F)Cc1ccccc1 ZINC001341910107 1179079689 /nfs/dbraw/zinc/07/96/89/1179079689.db2.gz PMSLMZCMWUAXBQ-OAHLLOKOSA-N 2 2 324.359 3.095 20 0 DGADLP Nc1c(F)cccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001621046042 1192957052 /nfs/dbraw/zinc/95/70/52/1192957052.db2.gz QMJMUPAEZUYSDJ-QGZVFWFLSA-N 2 2 310.376 3.136 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC001346423222 1179699265 /nfs/dbraw/zinc/69/92/65/1179699265.db2.gz MEFLXTIGHPXYIT-GFCCVEGCSA-N 2 2 322.815 3.062 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC001346423222 1179699269 /nfs/dbraw/zinc/69/92/69/1179699269.db2.gz MEFLXTIGHPXYIT-GFCCVEGCSA-N 2 2 322.815 3.062 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125118 1193040708 /nfs/dbraw/zinc/04/07/08/1193040708.db2.gz LUVRTXWOMXOFOE-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125118 1193040711 /nfs/dbraw/zinc/04/07/11/1193040711.db2.gz LUVRTXWOMXOFOE-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125118 1193040715 /nfs/dbraw/zinc/04/07/15/1193040715.db2.gz LUVRTXWOMXOFOE-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125118 1193040718 /nfs/dbraw/zinc/04/07/18/1193040718.db2.gz LUVRTXWOMXOFOE-BXUZGUMPSA-N 2 2 314.260 3.305 20 0 DGADLP Cc1nccnc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460971188 1182748881 /nfs/dbraw/zinc/74/88/81/1182748881.db2.gz HFBDPVHWJJWVKJ-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1nccnc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460971188 1182748887 /nfs/dbraw/zinc/74/88/87/1182748887.db2.gz HFBDPVHWJJWVKJ-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP C[NH+](C)Cc1ccc(CNc2cccc[nH+]2)c2c1OC(F)(F)O2 ZINC001461074577 1182764327 /nfs/dbraw/zinc/76/43/27/1182764327.db2.gz XWDDLDOTTBSEKF-UHFFFAOYSA-N 2 2 321.327 3.077 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(C2CC2)s1 ZINC001461085275 1182764706 /nfs/dbraw/zinc/76/47/06/1182764706.db2.gz FJFWAEIYBXWECK-AWEZNQCLSA-N 2 2 304.463 3.422 20 0 DGADLP c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(C2CCCC2)c1 ZINC001461177909 1182778063 /nfs/dbraw/zinc/77/80/63/1182778063.db2.gz KSXQYTVBWQWIQM-UXHICEINSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(C2CCCC2)c1 ZINC001461177909 1182778067 /nfs/dbraw/zinc/77/80/67/1182778067.db2.gz KSXQYTVBWQWIQM-UXHICEINSA-N 2 2 314.473 3.297 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\C=C(Cl)Cl ZINC001465206358 1183135998 /nfs/dbraw/zinc/13/59/98/1183135998.db2.gz GEWUVJAVMQFEOH-RQOWECAXSA-N 2 2 323.183 3.389 20 0 DGADLP CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)nc(C)[nH+]1 ZINC001472900161 1183698111 /nfs/dbraw/zinc/69/81/11/1183698111.db2.gz LNVULWAGOBRWAP-IRXDYDNUSA-N 2 2 302.466 3.047 20 0 DGADLP Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473414203 1183755243 /nfs/dbraw/zinc/75/52/43/1183755243.db2.gz NVVNSCRDWWBLTJ-MRXNPFEDSA-N 2 2 313.426 3.065 20 0 DGADLP CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001473483004 1183762605 /nfs/dbraw/zinc/76/26/05/1183762605.db2.gz JCTNSEBGLCRHPG-MJGOQNOKSA-N 2 2 313.445 3.474 20 0 DGADLP CC(C)[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1(CO)CCCC1 ZINC001473531514 1183770687 /nfs/dbraw/zinc/77/06/87/1183770687.db2.gz ISCHEJFPPMHBBX-KURKYZTESA-N 2 2 310.526 3.131 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001473894734 1183820304 /nfs/dbraw/zinc/82/03/04/1183820304.db2.gz PDIUNKOPSJDICT-GOSISDBHSA-N 2 2 317.477 3.339 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC001473896242 1183822149 /nfs/dbraw/zinc/82/21/49/1183822149.db2.gz AHQJSBOLRBUWCA-MRXNPFEDSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC001473896242 1183822152 /nfs/dbraw/zinc/82/21/52/1183822152.db2.gz AHQJSBOLRBUWCA-MRXNPFEDSA-N 2 2 305.466 3.244 20 0 DGADLP Cc1cccc2cc(C[NH2+]C3CC[NH+](C)CC3)c(Cl)nc12 ZINC001473915981 1183827428 /nfs/dbraw/zinc/82/74/28/1183827428.db2.gz QZDZHKXSPMPWNF-UHFFFAOYSA-N 2 2 303.837 3.380 20 0 DGADLP CN(C)c1cc[nH+]cc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC001473946996 1183835048 /nfs/dbraw/zinc/83/50/48/1183835048.db2.gz RVTSYFDRUBMDIK-UHFFFAOYSA-N 2 2 311.433 3.145 20 0 DGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc(C)n1 ZINC001474246845 1183889358 /nfs/dbraw/zinc/88/93/58/1183889358.db2.gz IKRUPHDFLFEAOU-LJQANCHMSA-N 2 2 306.413 3.426 20 0 DGADLP CCCCC[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496115424 1185135989 /nfs/dbraw/zinc/13/59/89/1185135989.db2.gz GAMDCVPLYVFYRN-HNNXBMFYSA-N 2 2 305.466 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001498583304 1185519954 /nfs/dbraw/zinc/51/99/54/1185519954.db2.gz PIWCPDWTBIVYMQ-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]CCC(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001502732415 1186005793 /nfs/dbraw/zinc/00/57/93/1186005793.db2.gz ZTGDQQOFDMRLSR-YOEHRIQHSA-N 2 2 317.477 3.103 20 0 DGADLP CO[C@@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550752 1188526377 /nfs/dbraw/zinc/52/63/77/1188526377.db2.gz BDQZQMMUWBGHMB-WHEVEAIOSA-N 2 2 306.494 3.187 20 0 DGADLP CO[C@@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550752 1188526379 /nfs/dbraw/zinc/52/63/79/1188526379.db2.gz BDQZQMMUWBGHMB-WHEVEAIOSA-N 2 2 306.494 3.187 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2)[nH+]c1C ZINC001550217170 1188594895 /nfs/dbraw/zinc/59/48/95/1188594895.db2.gz BSUPGUOOXKMKJV-ZBFHGGJFSA-N 2 2 312.417 3.007 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc2)[nH+]c1C ZINC001550217532 1188595230 /nfs/dbraw/zinc/59/52/30/1188595230.db2.gz CRYKSSVOSARBRT-HNNXBMFYSA-N 2 2 300.406 3.005 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC001550298360 1188600139 /nfs/dbraw/zinc/60/01/39/1188600139.db2.gz HOASKNHUQDLRSW-INIZCTEOSA-N 2 2 310.445 3.158 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001550298360 1188600142 /nfs/dbraw/zinc/60/01/42/1188600142.db2.gz HOASKNHUQDLRSW-INIZCTEOSA-N 2 2 310.445 3.158 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001550618200 1188632613 /nfs/dbraw/zinc/63/26/13/1188632613.db2.gz GPOXRTXVTTULAL-MRXNPFEDSA-N 2 2 315.465 3.194 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001550618200 1188632615 /nfs/dbraw/zinc/63/26/15/1188632615.db2.gz GPOXRTXVTTULAL-MRXNPFEDSA-N 2 2 315.465 3.194 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC001551378587 1188731918 /nfs/dbraw/zinc/73/19/18/1188731918.db2.gz QZVWGBWEKXHFOH-FCUIKFHKSA-N 2 2 314.473 3.471 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001552312842 1188835646 /nfs/dbraw/zinc/83/56/46/1188835646.db2.gz KSBMCJDQYKRMML-WTGUMLROSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001552312842 1188835651 /nfs/dbraw/zinc/83/56/51/1188835651.db2.gz KSBMCJDQYKRMML-WTGUMLROSA-N 2 2 314.473 3.371 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@H]2CCC[NH2+][C@H]21 ZINC001553023474 1188890563 /nfs/dbraw/zinc/89/05/63/1188890563.db2.gz ODOIQLLPQGQLJM-GUDXXQAFSA-N 2 2 304.409 3.016 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(C(F)(F)F)s1 ZINC001553291225 1188913519 /nfs/dbraw/zinc/91/35/19/1188913519.db2.gz GSYLTTVDPGZUJS-OBVHKMOISA-N 2 2 316.392 3.414 20 0 DGADLP CCc1nc(N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc(C)[nH+]1 ZINC001559248910 1189187098 /nfs/dbraw/zinc/18/70/98/1189187098.db2.gz PUJKVXJTCNOCSL-KRWDZBQOSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1nc(N[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)cc(C)[nH+]1 ZINC001559248910 1189187100 /nfs/dbraw/zinc/18/71/00/1189187100.db2.gz PUJKVXJTCNOCSL-KRWDZBQOSA-N 2 2 310.445 3.342 20 0 DGADLP Cc1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC001559265731 1189189034 /nfs/dbraw/zinc/18/90/34/1189189034.db2.gz ZFEUJYZMBNZIFF-SFHVURJKSA-N 2 2 322.456 3.073 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001559524685 1189212690 /nfs/dbraw/zinc/21/26/90/1189212690.db2.gz MHRYJGPTYQPYOY-OKZBNKHCSA-N 2 2 324.509 3.162 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001559524685 1189212694 /nfs/dbraw/zinc/21/26/94/1189212694.db2.gz MHRYJGPTYQPYOY-OKZBNKHCSA-N 2 2 324.509 3.162 20 0 DGADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001559847649 1189249873 /nfs/dbraw/zinc/24/98/73/1189249873.db2.gz YOEGWJXUTADLSQ-JCGIZDLHSA-N 2 2 313.445 3.330 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001560245757 1189297760 /nfs/dbraw/zinc/29/77/60/1189297760.db2.gz PYKQHXBKDYDNGM-HXUWFJFHSA-N 2 2 316.489 3.012 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001560245757 1189297764 /nfs/dbraw/zinc/29/77/64/1189297764.db2.gz PYKQHXBKDYDNGM-HXUWFJFHSA-N 2 2 316.489 3.012 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001560245444 1189297984 /nfs/dbraw/zinc/29/79/84/1189297984.db2.gz AEQUSYCNCCIGCH-MRXNPFEDSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001560245444 1189297987 /nfs/dbraw/zinc/29/79/87/1189297987.db2.gz AEQUSYCNCCIGCH-MRXNPFEDSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC001560285696 1189305550 /nfs/dbraw/zinc/30/55/50/1189305550.db2.gz DPEIOHUTASUUMN-UHFFFAOYSA-N 2 2 309.417 3.152 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc([C@@H]2CCCO2)s1)[NH+]1CCCCC1 ZINC001560437014 1189327968 /nfs/dbraw/zinc/32/79/68/1189327968.db2.gz ZKQCWTDWRGKUQW-HOCLYGCPSA-N 2 2 323.506 3.349 20 0 DGADLP Cc1ccc(Br)c(F)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001560546700 1189339601 /nfs/dbraw/zinc/33/96/01/1189339601.db2.gz FKHPAZFLMZJAGM-LLVKDONJSA-N 2 2 317.246 3.326 20 0 DGADLP CCn1c[nH+]cc1CN[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC001560620848 1189350148 /nfs/dbraw/zinc/35/01/48/1189350148.db2.gz MQXJJHQWCFWWNM-IBGZPJMESA-N 2 2 314.477 3.466 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001560624218 1189351422 /nfs/dbraw/zinc/35/14/22/1189351422.db2.gz GUXAWSOWZVTCBU-CYBMUJFWSA-N 2 2 310.869 3.485 20 0 DGADLP Cc1cc(C)cc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001560906770 1189403324 /nfs/dbraw/zinc/40/33/24/1189403324.db2.gz SXGCENXKIAGULJ-FQEVSTJZSA-N 2 2 316.489 3.033 20 0 DGADLP Cc1cc(C)cc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001560906770 1189403329 /nfs/dbraw/zinc/40/33/29/1189403329.db2.gz SXGCENXKIAGULJ-FQEVSTJZSA-N 2 2 316.489 3.033 20 0 DGADLP C[C@@H](CSCCF)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001560973045 1189413353 /nfs/dbraw/zinc/41/33/53/1189413353.db2.gz HPIVLVUXSNKCMF-GOEBONIOSA-N 2 2 302.503 3.464 20 0 DGADLP C[C@@H](CSCCF)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001560973045 1189413354 /nfs/dbraw/zinc/41/33/54/1189413354.db2.gz HPIVLVUXSNKCMF-GOEBONIOSA-N 2 2 302.503 3.464 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC001561051276 1189428254 /nfs/dbraw/zinc/42/82/54/1189428254.db2.gz TWHBYICGMQFCPM-UHFFFAOYSA-N 2 2 324.222 3.155 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001575615280 1191497004 /nfs/dbraw/zinc/49/70/04/1191497004.db2.gz PLJDVMVHDQTGBV-KDURUIRLSA-N 2 2 302.462 3.153 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001575615280 1191497007 /nfs/dbraw/zinc/49/70/07/1191497007.db2.gz PLJDVMVHDQTGBV-KDURUIRLSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC001576245769 1191547089 /nfs/dbraw/zinc/54/70/89/1191547089.db2.gz RSAVDHSGBWNYRH-ZJUUUORDSA-N 2 2 307.385 3.202 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCC2(O)CCC2)C1 ZINC001620680254 1193790047 /nfs/dbraw/zinc/79/00/47/1193790047.db2.gz BGYXRADKBMYOOX-HNNXBMFYSA-N 2 2 305.466 3.123 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCC2(O)CCC2)C1 ZINC001620680254 1193790048 /nfs/dbraw/zinc/79/00/48/1193790048.db2.gz BGYXRADKBMYOOX-HNNXBMFYSA-N 2 2 305.466 3.123 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCC2(O)CCC2)C1 ZINC001620680255 1193790721 /nfs/dbraw/zinc/79/07/21/1193790721.db2.gz BGYXRADKBMYOOX-OAHLLOKOSA-N 2 2 305.466 3.123 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCC2(O)CCC2)C1 ZINC001620680255 1193790722 /nfs/dbraw/zinc/79/07/22/1193790722.db2.gz BGYXRADKBMYOOX-OAHLLOKOSA-N 2 2 305.466 3.123 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC001620717231 1193794334 /nfs/dbraw/zinc/79/43/34/1193794334.db2.gz VPPDUSKHFTXROB-LLVKDONJSA-N 2 2 302.403 3.086 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001620725898 1193795198 /nfs/dbraw/zinc/79/51/98/1193795198.db2.gz IYKMODYALHKSDM-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001620725898 1193795199 /nfs/dbraw/zinc/79/51/99/1193795199.db2.gz IYKMODYALHKSDM-CVEARBPZSA-N 2 2 308.853 3.455 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001639595831 1194772993 /nfs/dbraw/zinc/77/29/93/1194772993.db2.gz JSCMRXJINJZCIQ-QGZVFWFLSA-N 2 2 324.428 3.058 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001639595831 1194772996 /nfs/dbraw/zinc/77/29/96/1194772996.db2.gz JSCMRXJINJZCIQ-QGZVFWFLSA-N 2 2 324.428 3.058 20 0 DGADLP CC[C@H](C)[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800112 1195055745 /nfs/dbraw/zinc/05/57/45/1195055745.db2.gz ZRTHIDHDAKSGDH-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@H](C)[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001643800112 1195055748 /nfs/dbraw/zinc/05/57/48/1195055748.db2.gz ZRTHIDHDAKSGDH-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@H](C)[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800112 1195055738 /nfs/dbraw/zinc/05/57/38/1195055738.db2.gz ZRTHIDHDAKSGDH-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@H](C)[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001643800112 1195055751 /nfs/dbraw/zinc/05/57/51/1195055751.db2.gz ZRTHIDHDAKSGDH-PKOBYXMFSA-N 2 2 304.478 3.398 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC001648026537 1195271232 /nfs/dbraw/zinc/27/12/32/1195271232.db2.gz DRFNFOKTRXSLKM-RBUKOAKNSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC001648026537 1195271235 /nfs/dbraw/zinc/27/12/35/1195271235.db2.gz DRFNFOKTRXSLKM-RBUKOAKNSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001648026537 1195271239 /nfs/dbraw/zinc/27/12/39/1195271239.db2.gz DRFNFOKTRXSLKM-RBUKOAKNSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001648026537 1195271244 /nfs/dbraw/zinc/27/12/44/1195271244.db2.gz DRFNFOKTRXSLKM-RBUKOAKNSA-N 3 2 307.526 3.057 20 0 DGADLP Cc1cc(N2CC[NH2+]C3(CCCCC3)C2)nc(C2CCC2)[nH+]1 ZINC001651438927 1195461874 /nfs/dbraw/zinc/46/18/74/1195461874.db2.gz ULEVZJUGTYMFAA-UHFFFAOYSA-N 2 2 300.450 3.165 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001651646760 1195490931 /nfs/dbraw/zinc/49/09/31/1195490931.db2.gz PIOSCTYXQSVALM-KVVHSQDJSA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001651646760 1195490937 /nfs/dbraw/zinc/49/09/37/1195490937.db2.gz PIOSCTYXQSVALM-KVVHSQDJSA-N 2 2 302.462 3.310 20 0 DGADLP CCc1nc(N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC001652171645 1195557595 /nfs/dbraw/zinc/55/75/95/1195557595.db2.gz VBYIJJFWUKJURB-MRXNPFEDSA-N 2 2 310.445 3.231 20 0 DGADLP c1cc(-c2nc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cs2)cs1 ZINC000067187631 1195604332 /nfs/dbraw/zinc/60/43/32/1195604332.db2.gz YUYLOXYWVJLQNO-LBPRGKRZSA-N 2 2 319.499 3.446 20 0 DGADLP c1cc(-c2nc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cs2)cs1 ZINC000067187631 1195604340 /nfs/dbraw/zinc/60/43/40/1195604340.db2.gz YUYLOXYWVJLQNO-LBPRGKRZSA-N 2 2 319.499 3.446 20 0 DGADLP CCCCC[N@H+](CCN[C@@H]1CCC[NH+](C)C1)Cc1ccccc1 ZINC001652779275 1195651113 /nfs/dbraw/zinc/65/11/13/1195651113.db2.gz MPNWQGDKIMMOPQ-HXUWFJFHSA-N 2 2 317.521 3.363 20 0 DGADLP CCCCC[N@@H+](CCN[C@@H]1CCC[NH+](C)C1)Cc1ccccc1 ZINC001652779275 1195651119 /nfs/dbraw/zinc/65/11/19/1195651119.db2.gz MPNWQGDKIMMOPQ-HXUWFJFHSA-N 2 2 317.521 3.363 20 0 DGADLP CCCCC[NH+](CCN[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC001652779275 1195651121 /nfs/dbraw/zinc/65/11/21/1195651121.db2.gz MPNWQGDKIMMOPQ-HXUWFJFHSA-N 2 2 317.521 3.363 20 0 DGADLP CCCCC[NH+](CCN[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC001652779275 1195651124 /nfs/dbraw/zinc/65/11/24/1195651124.db2.gz MPNWQGDKIMMOPQ-HXUWFJFHSA-N 2 2 317.521 3.363 20 0 DGADLP CC[C@H](C)C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653381057 1195716147 /nfs/dbraw/zinc/71/61/47/1195716147.db2.gz BFMIETTZSMTUET-SFHVURJKSA-N 2 2 303.494 3.177 20 0 DGADLP CC[C@H](C)C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001653381057 1195716149 /nfs/dbraw/zinc/71/61/49/1195716149.db2.gz BFMIETTZSMTUET-SFHVURJKSA-N 2 2 303.494 3.177 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC001654762724 1195837290 /nfs/dbraw/zinc/83/72/90/1195837290.db2.gz UQIJAGYOEXFGDY-ZWKOTPCHSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC001654762724 1195837292 /nfs/dbraw/zinc/83/72/92/1195837292.db2.gz UQIJAGYOEXFGDY-ZWKOTPCHSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)COc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC001654762724 1195837298 /nfs/dbraw/zinc/83/72/98/1195837298.db2.gz UQIJAGYOEXFGDY-ZWKOTPCHSA-N 2 2 302.462 3.390 20 0 DGADLP CC(C)COc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC001654762724 1195837303 /nfs/dbraw/zinc/83/73/03/1195837303.db2.gz UQIJAGYOEXFGDY-ZWKOTPCHSA-N 2 2 302.462 3.390 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]CCCCn3cc[nH+]c3)sc2C1 ZINC001655396997 1195911774 /nfs/dbraw/zinc/91/17/74/1195911774.db2.gz OWAPXPCMSQSEBO-CYBMUJFWSA-N 2 2 304.463 3.034 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001655396982 1195912064 /nfs/dbraw/zinc/91/20/64/1195912064.db2.gz ODLHGKHCITWJIG-SJORKVTESA-N 2 2 321.465 3.155 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001655410802 1195913614 /nfs/dbraw/zinc/91/36/14/1195913614.db2.gz XPXDVNVJOOWSQZ-JKSUJKDBSA-N 2 2 317.408 3.306 20 0 DGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)sn1 ZINC001655410384 1195913992 /nfs/dbraw/zinc/91/39/92/1195913992.db2.gz FIPYLODBNYLGFW-UHFFFAOYSA-N 2 2 302.378 3.066 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCC3CCCCC3)[nH+]c2)C1 ZINC001655947831 1195980890 /nfs/dbraw/zinc/98/08/90/1195980890.db2.gz QXYIAPZUNNSWCM-KRWDZBQOSA-N 2 2 302.466 3.214 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001656062167 1195992990 /nfs/dbraw/zinc/99/29/90/1195992990.db2.gz OGTWCPIGDINQET-GASCZTMLSA-N 2 2 321.534 3.480 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC001656062167 1195992992 /nfs/dbraw/zinc/99/29/92/1195992992.db2.gz OGTWCPIGDINQET-GASCZTMLSA-N 2 2 321.534 3.480 20 0 DGADLP C[C@H](CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159541 1196012269 /nfs/dbraw/zinc/01/22/69/1196012269.db2.gz MWHTVLIFUUBAJE-HBFSDRIKSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159541 1196012272 /nfs/dbraw/zinc/01/22/72/1196012272.db2.gz MWHTVLIFUUBAJE-HBFSDRIKSA-N 2 2 315.505 3.286 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001656217505 1196019420 /nfs/dbraw/zinc/01/94/20/1196019420.db2.gz LAJMOZHDCFZPEV-UHFFFAOYSA-N 2 2 320.868 3.342 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001656553250 1196049397 /nfs/dbraw/zinc/04/93/97/1196049397.db2.gz IKEYMKFNFBLJPT-GFCCVEGCSA-N 2 2 302.249 3.183 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC001657155650 1196112209 /nfs/dbraw/zinc/11/22/09/1196112209.db2.gz MRDCPKYNNVVFBO-INIZCTEOSA-N 2 2 312.461 3.354 20 0 DGADLP c1cnn(-c2cc[nH+]cc2NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001657652773 1196164792 /nfs/dbraw/zinc/16/47/92/1196164792.db2.gz MDRVRWJIRJSZKU-UHFFFAOYSA-N 2 2 322.397 3.127 20 0 DGADLP CCCn1nccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657728419 1196172792 /nfs/dbraw/zinc/17/27/92/1196172792.db2.gz LAEZKNZTFILDPR-OAHLLOKOSA-N 2 2 309.417 3.330 20 0 DGADLP C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657729482 1196173061 /nfs/dbraw/zinc/17/30/61/1196173061.db2.gz ZJIDAPSRLWPNGT-AWEZNQCLSA-N 2 2 319.412 3.391 20 0 DGADLP Oc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271212 1196234247 /nfs/dbraw/zinc/23/42/47/1196234247.db2.gz UEPOMBPXQLJKGC-KBXCAEBGSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271212 1196234251 /nfs/dbraw/zinc/23/42/51/1196234251.db2.gz UEPOMBPXQLJKGC-KBXCAEBGSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001658271212 1196234254 /nfs/dbraw/zinc/23/42/54/1196234254.db2.gz UEPOMBPXQLJKGC-KBXCAEBGSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001658271212 1196234261 /nfs/dbraw/zinc/23/42/61/1196234261.db2.gz UEPOMBPXQLJKGC-KBXCAEBGSA-N 2 2 320.864 3.494 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2c(OC)ccc3ccccc32)C1 ZINC001658880204 1196313973 /nfs/dbraw/zinc/31/39/73/1196313973.db2.gz OIRONTFHFZWIPB-KRWDZBQOSA-N 2 2 312.457 3.465 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2c(OC)ccc3ccccc32)C1 ZINC001658880204 1196313976 /nfs/dbraw/zinc/31/39/76/1196313976.db2.gz OIRONTFHFZWIPB-KRWDZBQOSA-N 2 2 312.457 3.465 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001659114841 1196346200 /nfs/dbraw/zinc/34/62/00/1196346200.db2.gz OKVFPRAWFXDBLD-UHFFFAOYSA-N 2 2 312.442 3.409 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)C1 ZINC001659721535 1196409222 /nfs/dbraw/zinc/40/92/22/1196409222.db2.gz KJHDNHFGEQVCCH-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)C1 ZINC001659721536 1196409039 /nfs/dbraw/zinc/40/90/39/1196409039.db2.gz KJHDNHFGEQVCCH-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)C1 ZINC001659721536 1196409042 /nfs/dbraw/zinc/40/90/42/1196409042.db2.gz KJHDNHFGEQVCCH-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)C1 ZINC001659721535 1196409220 /nfs/dbraw/zinc/40/92/20/1196409220.db2.gz KJHDNHFGEQVCCH-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001659784370 1196414222 /nfs/dbraw/zinc/41/42/22/1196414222.db2.gz TVRBFXLZRIGCDG-CYBMUJFWSA-N 2 2 313.426 3.360 20 0 DGADLP Fc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000075774111 1196419739 /nfs/dbraw/zinc/41/97/39/1196419739.db2.gz DANFYLPZFLPLDX-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]CC(C)(C)c2ccccc2)C[C@H](C)O1 ZINC001660827801 1196531156 /nfs/dbraw/zinc/53/11/56/1196531156.db2.gz HEDFTJHRYXRLNS-IRXDYDNUSA-N 2 2 304.478 3.053 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c(F)c1 ZINC001660933796 1196544264 /nfs/dbraw/zinc/54/42/64/1196544264.db2.gz ZOGBYHPMMRFWKY-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c(F)c1 ZINC001660933796 1196544267 /nfs/dbraw/zinc/54/42/67/1196544267.db2.gz ZOGBYHPMMRFWKY-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(F)c1 ZINC001660933796 1196544271 /nfs/dbraw/zinc/54/42/71/1196544271.db2.gz ZOGBYHPMMRFWKY-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(F)c1 ZINC001660933796 1196544277 /nfs/dbraw/zinc/54/42/77/1196544277.db2.gz ZOGBYHPMMRFWKY-KDURUIRLSA-N 2 2 302.437 3.442 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC001660943580 1196544504 /nfs/dbraw/zinc/54/45/04/1196544504.db2.gz PKVLCENLPINHKZ-ZDUSSCGKSA-N 2 2 322.884 3.437 20 0 DGADLP Cc1ccc2ncc(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)n2c1 ZINC001661061909 1196560509 /nfs/dbraw/zinc/56/05/09/1196560509.db2.gz SUJXRUXUNJJFED-INIZCTEOSA-N 2 2 311.433 3.044 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)c(COC)c2C)C1 ZINC001662940940 1196774847 /nfs/dbraw/zinc/77/48/47/1196774847.db2.gz GKOQTSZGPDLMPQ-KRWDZBQOSA-N 2 2 304.478 3.332 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)c(COC)c2C)C1 ZINC001662940940 1196774849 /nfs/dbraw/zinc/77/48/49/1196774849.db2.gz GKOQTSZGPDLMPQ-KRWDZBQOSA-N 2 2 304.478 3.332 20 0 DGADLP CC[C@H](C)C[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403414 1196858224 /nfs/dbraw/zinc/85/82/24/1196858224.db2.gz GGOWCJMVPXKZIU-ZDUSSCGKSA-N 2 2 305.466 3.105 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403414 1196858232 /nfs/dbraw/zinc/85/82/32/1196858232.db2.gz GGOWCJMVPXKZIU-ZDUSSCGKSA-N 2 2 305.466 3.105 20 0 DGADLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1F ZINC001663600953 1196912027 /nfs/dbraw/zinc/91/20/27/1196912027.db2.gz SHINOIYHLMRYAT-UHFFFAOYSA-N 2 2 310.376 3.429 20 0 DGADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1F ZINC001663600953 1196912029 /nfs/dbraw/zinc/91/20/29/1196912029.db2.gz SHINOIYHLMRYAT-UHFFFAOYSA-N 2 2 310.376 3.429 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001665189616 1197107347 /nfs/dbraw/zinc/10/73/47/1197107347.db2.gz JWNPTQATXLHDRA-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001665189616 1197107350 /nfs/dbraw/zinc/10/73/50/1197107350.db2.gz JWNPTQATXLHDRA-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)C[N@H+](Cc2ccccc2)C1 ZINC001665542155 1197149780 /nfs/dbraw/zinc/14/97/80/1197149780.db2.gz FTSLWQFIQFOXHC-NVXWUHKLSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)C[N@@H+](Cc2ccccc2)C1 ZINC001665542155 1197149781 /nfs/dbraw/zinc/14/97/81/1197149781.db2.gz FTSLWQFIQFOXHC-NVXWUHKLSA-N 2 2 315.486 3.186 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(C)[nH+]1 ZINC001672530726 1197615380 /nfs/dbraw/zinc/61/53/80/1197615380.db2.gz ZIYPMSAVLYLBAR-INIZCTEOSA-N 2 2 316.449 3.145 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(C)[nH+]1 ZINC001672530726 1197615382 /nfs/dbraw/zinc/61/53/82/1197615382.db2.gz ZIYPMSAVLYLBAR-INIZCTEOSA-N 2 2 316.449 3.145 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000093109401 1198656619 /nfs/dbraw/zinc/65/66/19/1198656619.db2.gz TVDVRRJZIQGDQM-CQSZACIVSA-N 2 2 307.507 3.089 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000093109401 1198656628 /nfs/dbraw/zinc/65/66/28/1198656628.db2.gz TVDVRRJZIQGDQM-CQSZACIVSA-N 2 2 307.507 3.089 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000120904336 1198833510 /nfs/dbraw/zinc/83/35/10/1198833510.db2.gz JOKNGUHQMDBFIF-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000305176531 1199676120 /nfs/dbraw/zinc/67/61/20/1199676120.db2.gz VJQWEIQISAISCE-ROUUACIJSA-N 2 2 322.880 3.198 20 0 DGADLP Cc1noc(C)c1C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000119758035 1200115981 /nfs/dbraw/zinc/11/59/81/1200115981.db2.gz QAYVWGHNYSYVRT-ZDUSSCGKSA-N 2 2 310.401 3.198 20 0 DGADLP Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000119757885 1200116137 /nfs/dbraw/zinc/11/61/37/1200116137.db2.gz QAYVWGHNYSYVRT-CYBMUJFWSA-N 2 2 310.401 3.198 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000120065228 1200131053 /nfs/dbraw/zinc/13/10/53/1200131053.db2.gz CFRWXJNLOAGVFX-XLIONFOSSA-N 2 2 315.505 3.112 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000123662340 1200284023 /nfs/dbraw/zinc/28/40/23/1200284023.db2.gz XYCFTDCOYNIAFM-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP CC(C)CC[NH2+]CCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755505542 1200924841 /nfs/dbraw/zinc/92/48/41/1200924841.db2.gz AHPDROPOZSXFMK-CQSZACIVSA-N 2 2 316.449 3.097 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000131112134 1201116287 /nfs/dbraw/zinc/11/62/87/1201116287.db2.gz DDNCZRDFVYJDNQ-AWEZNQCLSA-N 2 2 305.491 3.092 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](CC2CC2)C2CC2)c(C)[nH+]1 ZINC001752268848 1201814301 /nfs/dbraw/zinc/81/43/01/1201814301.db2.gz HTXCPBDRCXSEBW-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](CC2CC2)C2CC2)c(C)[nH+]1 ZINC001752268848 1201814313 /nfs/dbraw/zinc/81/43/13/1201814313.db2.gz HTXCPBDRCXSEBW-UHFFFAOYSA-N 2 2 315.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001699755227 1202066377 /nfs/dbraw/zinc/06/63/77/1202066377.db2.gz SKLIQVCYSZWPNY-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704171 1202317298 /nfs/dbraw/zinc/31/72/98/1202317298.db2.gz WLNIAAONLVYVFA-QWGSZXSUSA-N 2 2 317.477 3.413 20 0 DGADLP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)(C)C ZINC001707386314 1202582022 /nfs/dbraw/zinc/58/20/22/1202582022.db2.gz SYAAEWFVXSJWED-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)(C)C ZINC001707386314 1202582023 /nfs/dbraw/zinc/58/20/23/1202582023.db2.gz SYAAEWFVXSJWED-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152541282 1202594696 /nfs/dbraw/zinc/59/46/96/1202594696.db2.gz GKNJSCJVQHWKGJ-ZDUSSCGKSA-N 2 2 315.383 3.310 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152541282 1202594697 /nfs/dbraw/zinc/59/46/97/1202594697.db2.gz GKNJSCJVQHWKGJ-ZDUSSCGKSA-N 2 2 315.383 3.310 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000236604150 1202614449 /nfs/dbraw/zinc/61/44/49/1202614449.db2.gz AIIBIKIMASETCC-UHFFFAOYSA-N 2 2 312.461 3.143 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000236834931 1202628027 /nfs/dbraw/zinc/62/80/27/1202628027.db2.gz FAAAWZNDDUWKEV-OAHLLOKOSA-N 2 2 312.404 3.479 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000236834931 1202628028 /nfs/dbraw/zinc/62/80/28/1202628028.db2.gz FAAAWZNDDUWKEV-OAHLLOKOSA-N 2 2 312.404 3.479 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000236970550 1202638748 /nfs/dbraw/zinc/63/87/48/1202638748.db2.gz MCSAJWMFEBSJCY-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000236970550 1202638749 /nfs/dbraw/zinc/63/87/49/1202638749.db2.gz MCSAJWMFEBSJCY-IRXDYDNUSA-N 2 2 318.461 3.200 20 0 DGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000237096430 1202646644 /nfs/dbraw/zinc/64/66/44/1202646644.db2.gz XVQVPYGSDBLOKE-IBGZPJMESA-N 2 2 307.397 3.350 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713409885 1202646889 /nfs/dbraw/zinc/64/68/89/1202646889.db2.gz BWUSWXHIISBESE-ISZGNANSSA-N 2 2 314.433 3.017 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000237353065 1202672136 /nfs/dbraw/zinc/67/21/36/1202672136.db2.gz LHBMYVJGMNXDNP-CABCVRRESA-N 2 2 306.475 3.134 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000237353065 1202672137 /nfs/dbraw/zinc/67/21/37/1202672137.db2.gz LHBMYVJGMNXDNP-CABCVRRESA-N 2 2 306.475 3.134 20 0 DGADLP CC(C)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001713690609 1202677371 /nfs/dbraw/zinc/67/73/71/1202677371.db2.gz VDMVUFGODWGZJL-UHFFFAOYSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001713690609 1202677372 /nfs/dbraw/zinc/67/73/72/1202677372.db2.gz VDMVUFGODWGZJL-UHFFFAOYSA-N 2 2 316.449 3.049 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N(C)c1ccccc1 ZINC000237582030 1202679224 /nfs/dbraw/zinc/67/92/24/1202679224.db2.gz YZJFIISLSQMCCY-QGZVFWFLSA-N 2 2 320.440 3.487 20 0 DGADLP Cc1nn(C)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000162659106 1203469790 /nfs/dbraw/zinc/46/97/90/1203469790.db2.gz XAPYDEOUBYWIFH-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP CCCC[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001717299817 1203614751 /nfs/dbraw/zinc/61/47/51/1203614751.db2.gz JJQPGMBAPMSJOK-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP CCC(CC)C[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001731938552 1204631701 /nfs/dbraw/zinc/63/17/01/1204631701.db2.gz ZOIBTCGZOQCNFZ-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CCCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001732488799 1204869378 /nfs/dbraw/zinc/86/93/78/1204869378.db2.gz ODQKWNCTLPUMAU-PBHICJAKSA-N 2 2 317.477 3.247 20 0 DGADLP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734335148 1205366469 /nfs/dbraw/zinc/36/64/69/1205366469.db2.gz UVAHBIOFYUPEPM-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001734568014 1205396363 /nfs/dbraw/zinc/39/63/63/1205396363.db2.gz GYCCVGVGGLMEJN-JKSUJKDBSA-N 2 2 322.497 3.001 20 0 DGADLP COc1cc2cc[nH+]c(N(C)CC3CC[NH+](C)CC3)c2cc1F ZINC000288298652 721938699 /nfs/dbraw/zinc/93/86/99/721938699.db2.gz BZMPFJMBNAZEQD-UHFFFAOYSA-N 2 2 317.408 3.161 20 0 DGADLP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169718524 1081638601 /nfs/dbraw/zinc/63/86/01/1081638601.db2.gz UYDRQLIKVFRMKT-UHFFFAOYSA-N 2 2 314.433 3.198 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001170098056 1082088558 /nfs/dbraw/zinc/08/85/58/1082088558.db2.gz KUHQTQFLEARGKJ-QAPCUYQASA-N 2 2 302.462 3.438 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170098428 1082088779 /nfs/dbraw/zinc/08/87/79/1082088779.db2.gz RRJJRMXRQSQPIR-CRAIPNDOSA-N 2 2 302.462 3.438 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144791 1082201822 /nfs/dbraw/zinc/20/18/22/1082201822.db2.gz OOYRLVIWZNEHHD-AEFFLSMTSA-N 2 2 316.493 3.039 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001170144791 1082201827 /nfs/dbraw/zinc/20/18/27/1082201827.db2.gz OOYRLVIWZNEHHD-AEFFLSMTSA-N 2 2 316.493 3.039 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001266782558 1082215421 /nfs/dbraw/zinc/21/54/21/1082215421.db2.gz DRHJGPYNFREXCO-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CCC[NH2+]C[C@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001266872420 1082292193 /nfs/dbraw/zinc/29/21/93/1082292193.db2.gz KNUCYQSECIONEW-MRXNPFEDSA-N 2 2 303.450 3.001 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CCO1 ZINC001170176864 1082304546 /nfs/dbraw/zinc/30/45/46/1082304546.db2.gz BZGQDQFEKFNWOH-HSALFYBXSA-N 2 2 316.489 3.241 20 0 DGADLP [NH2+]=C(Nc1cccc(C[NH3+])c1)c1ccc(Br)cc1F ZINC001170461383 1082504947 /nfs/dbraw/zinc/50/49/47/1082504947.db2.gz SMINPTSTMNXQAF-UHFFFAOYSA-N 2 2 322.181 3.484 20 0 DGADLP CCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104435926 1082642250 /nfs/dbraw/zinc/64/22/50/1082642250.db2.gz OBXLMYHPMARDPH-RHSMWYFYSA-N 2 2 317.477 3.105 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001207402307 1082990230 /nfs/dbraw/zinc/99/02/30/1082990230.db2.gz YCZFUNGJTASJMD-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001207402307 1082990235 /nfs/dbraw/zinc/99/02/35/1082990235.db2.gz YCZFUNGJTASJMD-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cscc2Br)C1 ZINC000309462291 1083070376 /nfs/dbraw/zinc/07/03/76/1083070376.db2.gz SAEXNPUEPLWVGG-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cscc2Br)C1 ZINC000309462291 1083070381 /nfs/dbraw/zinc/07/03/81/1083070381.db2.gz SAEXNPUEPLWVGG-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001170678175 1083097099 /nfs/dbraw/zinc/09/70/99/1083097099.db2.gz WLYRZGKUSDQSOI-GJZGRUSLSA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001170678175 1083097104 /nfs/dbraw/zinc/09/71/04/1083097104.db2.gz WLYRZGKUSDQSOI-GJZGRUSLSA-N 2 2 306.400 3.039 20 0 DGADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170716592 1083222664 /nfs/dbraw/zinc/22/26/64/1083222664.db2.gz QPQYXKWBJNAENE-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170716592 1083222666 /nfs/dbraw/zinc/22/26/66/1083222666.db2.gz QPQYXKWBJNAENE-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC/C=C/CC[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001481260641 1083339533 /nfs/dbraw/zinc/33/95/33/1083339533.db2.gz XEBJIADZLUBHCV-BQYQJAHWSA-N 2 2 303.450 3.025 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000689794093 1083352940 /nfs/dbraw/zinc/35/29/40/1083352940.db2.gz NQNAMMVHURKPCC-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000689794093 1083352941 /nfs/dbraw/zinc/35/29/41/1083352941.db2.gz NQNAMMVHURKPCC-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)ncn1CC ZINC001181514378 1083481782 /nfs/dbraw/zinc/48/17/82/1083481782.db2.gz HIHHIKXZZVDQOB-UHFFFAOYSA-N 2 2 323.872 3.228 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)ncn1CC ZINC001181514378 1083481787 /nfs/dbraw/zinc/48/17/87/1083481787.db2.gz HIHHIKXZZVDQOB-UHFFFAOYSA-N 2 2 323.872 3.228 20 0 DGADLP C[NH+]1CCC(CC[N@@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001207487497 1083545265 /nfs/dbraw/zinc/54/52/65/1083545265.db2.gz LGNQDXLHWKLZBL-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(CC[N@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001207487497 1083545273 /nfs/dbraw/zinc/54/52/73/1083545273.db2.gz LGNQDXLHWKLZBL-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329271 1083575435 /nfs/dbraw/zinc/57/54/35/1083575435.db2.gz GMGXOIZQABGELV-BHIYHBOVSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329271 1083575448 /nfs/dbraw/zinc/57/54/48/1083575448.db2.gz GMGXOIZQABGELV-BHIYHBOVSA-N 3 2 315.505 3.017 20 0 DGADLP COCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC001648927088 1083603537 /nfs/dbraw/zinc/60/35/37/1083603537.db2.gz HWRNZGSVZWMZPX-UHFFFAOYSA-N 2 2 307.397 3.309 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205303813 1084221990 /nfs/dbraw/zinc/22/19/90/1084221990.db2.gz KYKJQYHYBYMOJJ-DGCLKSJQSA-N 2 2 314.832 3.295 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205303813 1084222000 /nfs/dbraw/zinc/22/20/00/1084222000.db2.gz KYKJQYHYBYMOJJ-DGCLKSJQSA-N 2 2 314.832 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CCC(C)C)C(C)C)c(C)[nH+]1 ZINC001268218521 1084345352 /nfs/dbraw/zinc/34/53/52/1084345352.db2.gz DMTPPJNMIIYUJB-KRWDZBQOSA-N 2 2 319.493 3.397 20 0 DGADLP [NH2+]=C(Nc1cc2cc[nH]c2cc1C(F)(F)F)SCC[NH3+] ZINC001167914673 1084634065 /nfs/dbraw/zinc/63/40/65/1084634065.db2.gz OEWZUARYXSIPJR-UHFFFAOYSA-N 2 2 302.325 3.225 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001187108020 1084751824 /nfs/dbraw/zinc/75/18/24/1084751824.db2.gz HAMGPARRXLAHSD-QGZVFWFLSA-N 2 2 322.456 3.350 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001187108020 1084751829 /nfs/dbraw/zinc/75/18/29/1084751829.db2.gz HAMGPARRXLAHSD-QGZVFWFLSA-N 2 2 322.456 3.350 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007352 1086161329 /nfs/dbraw/zinc/16/13/29/1086161329.db2.gz RMASUWUKIDEGFA-XEMDLRDOSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007352 1086161332 /nfs/dbraw/zinc/16/13/32/1086161332.db2.gz RMASUWUKIDEGFA-XEMDLRDOSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H]1CC([NH2+]Cc2ccncn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015493 1086295296 /nfs/dbraw/zinc/29/52/96/1086295296.db2.gz QWKGNWGRDKHPAS-HOTGVXAUSA-N 2 2 310.445 3.008 20 0 DGADLP Cc1ncncc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168034016 1086473953 /nfs/dbraw/zinc/47/39/53/1086473953.db2.gz OBVMUYBFZQPVCT-HZPDHXFCSA-N 2 2 324.472 3.316 20 0 DGADLP C[C@@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168042339 1086512268 /nfs/dbraw/zinc/51/22/68/1086512268.db2.gz ZAVVVXBXGNIORV-YESZJQIVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001168042339 1086512271 /nfs/dbraw/zinc/51/22/71/1086512271.db2.gz ZAVVVXBXGNIORV-YESZJQIVSA-N 2 2 302.462 3.149 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001205009425 1086528086 /nfs/dbraw/zinc/52/80/86/1086528086.db2.gz SCLVPMDLYPOGPR-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001205009425 1086528092 /nfs/dbraw/zinc/52/80/92/1086528092.db2.gz SCLVPMDLYPOGPR-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)onc1-c1ccccc1 ZINC001141992236 1086628588 /nfs/dbraw/zinc/62/85/88/1086628588.db2.gz HJXIKRCNGXDCPJ-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)onc1-c1ccccc1 ZINC001141992236 1086628594 /nfs/dbraw/zinc/62/85/94/1086628594.db2.gz HJXIKRCNGXDCPJ-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292249 1087284570 /nfs/dbraw/zinc/28/45/70/1087284570.db2.gz SYLIZJMRBCMEGE-HKUYNNGSSA-N 2 2 324.424 3.019 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292249 1087284576 /nfs/dbraw/zinc/28/45/76/1087284576.db2.gz SYLIZJMRBCMEGE-HKUYNNGSSA-N 2 2 324.424 3.019 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(Br)cc1F)[NH+](C)C ZINC000697854557 1087344883 /nfs/dbraw/zinc/34/48/83/1087344883.db2.gz ZEPOLIXMYYYZRL-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nc3scc(C)n23)CC1 ZINC001204714280 1087355881 /nfs/dbraw/zinc/35/58/81/1087355881.db2.gz QCINVZMQUBMQKI-UHFFFAOYSA-N 2 2 320.506 3.319 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nc3scc(C)n23)CC1 ZINC001204714280 1087355886 /nfs/dbraw/zinc/35/58/86/1087355886.db2.gz QCINVZMQUBMQKI-UHFFFAOYSA-N 2 2 320.506 3.319 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001483482259 1087512035 /nfs/dbraw/zinc/51/20/35/1087512035.db2.gz IDHOVZJZYJABHY-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001205117510 1088008252 /nfs/dbraw/zinc/00/82/52/1088008252.db2.gz PRUNWJKTJHNMES-CQSZACIVSA-N 2 2 305.422 3.262 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001205117510 1088008267 /nfs/dbraw/zinc/00/82/67/1088008267.db2.gz PRUNWJKTJHNMES-CQSZACIVSA-N 2 2 305.422 3.262 20 0 DGADLP Brc1ccc2[nH+]ccc(NC=C3CC[NH2+]CC3)c2c1 ZINC001159215851 1088238007 /nfs/dbraw/zinc/23/80/07/1088238007.db2.gz SHQBXTHPNLUATC-UHFFFAOYSA-N 2 2 318.218 3.098 20 0 DGADLP [NH3+]CCOc1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001159265654 1088263831 /nfs/dbraw/zinc/26/38/31/1088263831.db2.gz DLDIZTUQBBOYEP-UHFFFAOYSA-N 2 2 302.765 3.069 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2cccnc2OCC2CC[NH2+]CC2)c1 ZINC001159295030 1088273710 /nfs/dbraw/zinc/27/37/10/1088273710.db2.gz DIDLPVGAGYHZMS-UHFFFAOYSA-N 2 2 312.417 3.215 20 0 DGADLP c1c(N=C2CCC[N@@H+](Cc3ccccc3)C2)onc1[C@H]1CCC[NH2+]1 ZINC001159305343 1088280007 /nfs/dbraw/zinc/28/00/07/1088280007.db2.gz LYSLWWQTBMXLME-QGZVFWFLSA-N 2 2 324.428 3.301 20 0 DGADLP c1c(N=C2CCC[N@H+](Cc3ccccc3)C2)onc1[C@H]1CCC[NH2+]1 ZINC001159305343 1088280022 /nfs/dbraw/zinc/28/00/22/1088280022.db2.gz LYSLWWQTBMXLME-QGZVFWFLSA-N 2 2 324.428 3.301 20 0 DGADLP CNc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)c[nH+]1 ZINC001159387554 1088329973 /nfs/dbraw/zinc/32/99/73/1088329973.db2.gz CUHMURGVRWRZEK-MGPQQGTHSA-N 2 2 311.433 3.493 20 0 DGADLP c1cn(-c2cccc(Nc3ccc(N4CC[NH2+]CC4)cc3)c2)c[nH+]1 ZINC001159460959 1088358145 /nfs/dbraw/zinc/35/81/45/1088358145.db2.gz DOGSLZUHHQQSPQ-UHFFFAOYSA-N 2 2 319.412 3.026 20 0 DGADLP c1cn2ccc(Nc3ccc(O[C@@H]4CCC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159947870 1088565907 /nfs/dbraw/zinc/56/59/07/1088565907.db2.gz CJYBPSYNDDEONT-QGZVFWFLSA-N 2 2 308.385 3.209 20 0 DGADLP c1[nH]c2c(cccc2Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)[nH+]1 ZINC001159954341 1088572368 /nfs/dbraw/zinc/57/23/68/1088572368.db2.gz TVSWOFLROXNVFX-OAHLLOKOSA-N 2 2 308.385 3.437 20 0 DGADLP Cc1ccc2c(Nc3cccc(N4CC([NH3+])C4)c3)cccc2[nH+]1 ZINC001159989175 1088590737 /nfs/dbraw/zinc/59/07/37/1088590737.db2.gz OHFOOCMOEUROST-UHFFFAOYSA-N 2 2 304.397 3.434 20 0 DGADLP CCc1nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)cc(C)[nH+]1 ZINC001160012129 1088599316 /nfs/dbraw/zinc/59/93/16/1088599316.db2.gz KWRSYNOXWHXMKO-CYBMUJFWSA-N 2 2 308.429 3.489 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1c(O)cccc1N1CC[NH2+]CC1 ZINC001160011662 1088599691 /nfs/dbraw/zinc/59/96/91/1088599691.db2.gz JFVXBRQOOJXKCP-UHFFFAOYSA-N 2 2 324.428 3.126 20 0 DGADLP c1cn2ccc(Nc3cccc(O[C@H]4CCC[NH2+]C4)c3)cc2[nH+]1 ZINC001160219230 1088706694 /nfs/dbraw/zinc/70/66/94/1088706694.db2.gz IGZWKZKEYRNCNL-KRWDZBQOSA-N 2 2 308.385 3.209 20 0 DGADLP CC(C)CCC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528782 1088851450 /nfs/dbraw/zinc/85/14/50/1088851450.db2.gz VEQSPMWNMHLYHH-KRWDZBQOSA-N 2 2 322.497 3.002 20 0 DGADLP Cc1cccn2c([C@H](C)Nc3cc(-n4ccnc4)cc[nH+]3)c[nH+]c12 ZINC001160687359 1088918835 /nfs/dbraw/zinc/91/88/35/1088918835.db2.gz HRDSYAAHJCFVNS-AWEZNQCLSA-N 2 2 318.384 3.397 20 0 DGADLP Cc1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c2ccccc12 ZINC001160737451 1088936455 /nfs/dbraw/zinc/93/64/55/1088936455.db2.gz HRVHJAQZQADVBB-TZMCWYRMSA-N 2 2 309.335 3.496 20 0 DGADLP C[C@@H]1C[C@@H](CNc2[nH+]cccc2OCc2ccc(F)cc2)C[NH2+]1 ZINC001155101697 1088946324 /nfs/dbraw/zinc/94/63/24/1088946324.db2.gz HKPCXKZVLUSGGD-UKRRQHHQSA-N 2 2 315.392 3.210 20 0 DGADLP Cc1cccc2c(C)cc(NC3CCN([C@@H]4CC[NH2+]C4)CC3)[nH+]c12 ZINC001161463469 1089253487 /nfs/dbraw/zinc/25/34/87/1089253487.db2.gz LOJHPVZSEIKISR-QGZVFWFLSA-N 2 2 324.472 3.090 20 0 DGADLP CC1(C)C[NH2+]C[C@H](CNc2[nH+]ccc3cc(Cl)ccc32)O1 ZINC001161954568 1089489128 /nfs/dbraw/zinc/48/91/28/1089489128.db2.gz YUJISEAECDYOLB-CYBMUJFWSA-N 2 2 305.809 3.067 20 0 DGADLP CC(C)=CC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001484893958 1089732732 /nfs/dbraw/zinc/73/27/32/1089732732.db2.gz AHQDFGKKVHQBNQ-PBHICJAKSA-N 2 2 315.461 3.023 20 0 DGADLP CCCc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc(CCC)[nH+]1 ZINC001162462678 1089745172 /nfs/dbraw/zinc/74/51/72/1089745172.db2.gz XELPHRPUANDVBE-LSDHHAIUSA-N 2 2 304.482 3.429 20 0 DGADLP Cc1nc(N(C)[C@@]2(C)CCC[NH2+]C2)cc(C2CCCCC2)[nH+]1 ZINC001156968173 1089765509 /nfs/dbraw/zinc/76/55/09/1089765509.db2.gz OTERYFBWYGTGRP-SFHVURJKSA-N 2 2 302.466 3.411 20 0 DGADLP CC(C)c1cc(-n2c3ccccc3nc2[C@H](C)[NH3+])nc(N(C)C)[nH+]1 ZINC001162764231 1089936546 /nfs/dbraw/zinc/93/65/46/1089936546.db2.gz VSVSJGNWFWHTEU-LBPRGKRZSA-N 2 2 324.432 3.025 20 0 DGADLP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162778719 1089950357 /nfs/dbraw/zinc/95/03/57/1089950357.db2.gz NWQIARKQTMZIJM-GFCCVEGCSA-N 2 2 321.359 3.370 20 0 DGADLP CC/C=C\CC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910569 1090020636 /nfs/dbraw/zinc/02/06/36/1090020636.db2.gz RGDJAWPXPBSAEP-SREVYHEPSA-N 2 2 303.450 3.073 20 0 DGADLP Cc1c[nH+]c(N2CCC(C)([NH+]3CCCC3)CC2)nc1NC(C)C ZINC001157652095 1090057227 /nfs/dbraw/zinc/05/72/27/1090057227.db2.gz GMOGXJQYQKHXME-UHFFFAOYSA-N 2 2 317.481 3.060 20 0 DGADLP C[NH+](C)Cc1c(F)cc(N[C@H]2C[NH2+]Cc3ccsc32)cc1F ZINC001163228740 1090126376 /nfs/dbraw/zinc/12/63/76/1090126376.db2.gz CPQHKLVHSSYXQJ-HNNXBMFYSA-N 2 2 323.412 3.344 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001163331536 1090153854 /nfs/dbraw/zinc/15/38/54/1090153854.db2.gz CSTSOSZAQHTAGC-LPHOPBHVSA-N 2 2 317.477 3.164 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc1NCC1CC1 ZINC001163356353 1090160426 /nfs/dbraw/zinc/16/04/26/1090160426.db2.gz BTLJXNXINPUBDL-ZBFHGGJFSA-N 2 2 317.481 3.138 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1NCC1CC1 ZINC001163356353 1090160431 /nfs/dbraw/zinc/16/04/31/1090160431.db2.gz BTLJXNXINPUBDL-ZBFHGGJFSA-N 2 2 317.481 3.138 20 0 DGADLP Cc1cc(Cl)c(C)c(N2CCN(c3cc[nH+]cc3C)CC2)[nH+]1 ZINC001158104539 1090184663 /nfs/dbraw/zinc/18/46/63/1090184663.db2.gz DHMPCIVXKHQFLT-UHFFFAOYSA-N 2 2 316.836 3.382 20 0 DGADLP CCSc1cc[nH+]c(N2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001158108898 1090184875 /nfs/dbraw/zinc/18/48/75/1090184875.db2.gz XMGBWGGKDGEGQH-UHFFFAOYSA-N 2 2 314.458 3.224 20 0 DGADLP Cc1ccc2cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)[nH+]cc2c1 ZINC001163646046 1090223009 /nfs/dbraw/zinc/22/30/09/1090223009.db2.gz JXGGYOZOMPXRJZ-PKOBYXMFSA-N 2 2 311.429 3.256 20 0 DGADLP Cc1c(C)n(-c2cc[nH+]c(N3CCCC3)n2)c2ccc(C[NH3+])cc12 ZINC001163757318 1090251189 /nfs/dbraw/zinc/25/11/89/1090251189.db2.gz UNKQCOHEJYEZGX-UHFFFAOYSA-N 2 2 321.428 3.096 20 0 DGADLP c1cc2cc(NCc3cccnc3C3CC[NH2+]CC3)[nH+]cc2[nH]1 ZINC001163905413 1090283606 /nfs/dbraw/zinc/28/36/06/1090283606.db2.gz QBLQMSRDRSAHOQ-UHFFFAOYSA-N 2 2 307.401 3.037 20 0 DGADLP CSc1cc(NCc2cccc(C[NH+](C)C)c2)nc(C)[nH+]1 ZINC001163993697 1090311222 /nfs/dbraw/zinc/31/12/22/1090311222.db2.gz SUIRKEXSAPUUGE-UHFFFAOYSA-N 2 2 302.447 3.181 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c[nH+]1 ZINC001164493533 1090432608 /nfs/dbraw/zinc/43/26/08/1090432608.db2.gz UDXSBOIBOVPWMR-NZSAHSFTSA-N 2 2 322.456 3.446 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c[nH+]1 ZINC001164493533 1090432615 /nfs/dbraw/zinc/43/26/15/1090432615.db2.gz UDXSBOIBOVPWMR-NZSAHSFTSA-N 2 2 322.456 3.446 20 0 DGADLP Cc1nc(N2CCC(C3CC[NH+](C)CC3)CC2)cc(C(C)C)[nH+]1 ZINC001165065848 1090458399 /nfs/dbraw/zinc/45/83/99/1090458399.db2.gz PYOUPKZNNANTMC-UHFFFAOYSA-N 2 2 316.493 3.467 20 0 DGADLP Cc1cc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc(C(C)C)[nH+]1 ZINC001165123370 1090468023 /nfs/dbraw/zinc/46/80/23/1090468023.db2.gz UTTWKKLCRMBDQG-UHFFFAOYSA-N 2 2 322.456 3.231 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2OC)CC1 ZINC001203533839 1090472141 /nfs/dbraw/zinc/47/21/41/1090472141.db2.gz IGWVIAYDXZQWCC-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2OC)CC1 ZINC001203533839 1090472143 /nfs/dbraw/zinc/47/21/43/1090472143.db2.gz IGWVIAYDXZQWCC-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP Cc1[nH+]c2c(n1-c1nc3c(C)ccc(F)c3cc1C)CC[NH2+]CC2 ZINC001165354715 1090509866 /nfs/dbraw/zinc/50/98/66/1090509866.db2.gz HSCYBRFBZFAHOQ-UHFFFAOYSA-N 2 2 324.403 3.173 20 0 DGADLP CC(C)(C)c1cc(Nc2ccc[nH+]c2N2CCOCC2)cc[nH+]1 ZINC001212354346 1090570005 /nfs/dbraw/zinc/57/00/05/1090570005.db2.gz PVMLQNDLFAHKFM-UHFFFAOYSA-N 2 2 312.417 3.354 20 0 DGADLP CC(C)[NH+]1CCC(CNc2cc(N)cc(C(F)(F)F)[nH+]2)CC1 ZINC001166602914 1090626576 /nfs/dbraw/zinc/62/65/76/1090626576.db2.gz BNVXVHLJRLZIBB-UHFFFAOYSA-N 2 2 316.371 3.215 20 0 DGADLP CCc1[nH]c(CN2CCCC[C@H]2CC[NH+]2CCCC2)c(C)[nH+]1 ZINC001203243198 1090707212 /nfs/dbraw/zinc/70/72/12/1090707212.db2.gz IXKDRVDFSNNKFE-INIZCTEOSA-N 2 2 304.482 3.121 20 0 DGADLP C[N@@H+]1CCC2(C[NH+](CCCc3cccc(C(F)(F)F)c3)C2)C1 ZINC001276425798 1090823950 /nfs/dbraw/zinc/82/39/50/1090823950.db2.gz YHYZPUCNESRGFU-UHFFFAOYSA-N 2 2 312.379 3.276 20 0 DGADLP C[N@H+]1CCC2(C[NH+](CCCc3cccc(C(F)(F)F)c3)C2)C1 ZINC001276425798 1090823953 /nfs/dbraw/zinc/82/39/53/1090823953.db2.gz YHYZPUCNESRGFU-UHFFFAOYSA-N 2 2 312.379 3.276 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001203914215 1090837656 /nfs/dbraw/zinc/83/76/56/1090837656.db2.gz LMVCAUCXKPHCBH-LJQANCHMSA-N 2 2 320.452 3.149 20 0 DGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001203914215 1090837661 /nfs/dbraw/zinc/83/76/61/1090837661.db2.gz LMVCAUCXKPHCBH-LJQANCHMSA-N 2 2 320.452 3.149 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001203914215 1090837666 /nfs/dbraw/zinc/83/76/66/1090837666.db2.gz LMVCAUCXKPHCBH-LJQANCHMSA-N 2 2 320.452 3.149 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001203914215 1090837669 /nfs/dbraw/zinc/83/76/69/1090837669.db2.gz LMVCAUCXKPHCBH-LJQANCHMSA-N 2 2 320.452 3.149 20 0 DGADLP CC[C@@H](C)C[C@@H](C)Nc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001168695637 1090886229 /nfs/dbraw/zinc/88/62/29/1090886229.db2.gz QPJXDSRXDFFADX-UKRRQHHQSA-N 2 2 319.497 3.197 20 0 DGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204078189 1090892537 /nfs/dbraw/zinc/89/25/37/1090892537.db2.gz RAMRAHDSKUTNPX-WOJBJXKFSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204078189 1090892543 /nfs/dbraw/zinc/89/25/43/1090892543.db2.gz RAMRAHDSKUTNPX-WOJBJXKFSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204078189 1090892547 /nfs/dbraw/zinc/89/25/47/1090892547.db2.gz RAMRAHDSKUTNPX-WOJBJXKFSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)CC[C@@H]3C2)cc1 ZINC001204078189 1090892556 /nfs/dbraw/zinc/89/25/56/1090892556.db2.gz RAMRAHDSKUTNPX-WOJBJXKFSA-N 2 2 307.441 3.036 20 0 DGADLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204090048 1090897590 /nfs/dbraw/zinc/89/75/90/1090897590.db2.gz AXSOOJDCEYDSKB-HOTGVXAUSA-N 2 2 314.454 3.018 20 0 DGADLP CCCCOC1C[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204268377 1090937500 /nfs/dbraw/zinc/93/75/00/1090937500.db2.gz JGPMVQWUNYBZIR-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP Cc1ccc(Nc2cccc(CC[NH+]3CCOCC3)c2)c(C)[nH+]1 ZINC001204336500 1090952178 /nfs/dbraw/zinc/95/21/78/1090952178.db2.gz MAAQLZUGMHCZIE-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP Cc1c[nH+]c(Nc2cccc(CC[NH+]3CCOCC3)c2)c(C)c1 ZINC001204343989 1090953127 /nfs/dbraw/zinc/95/31/27/1090953127.db2.gz TYIOYZHZAWLHOK-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001204393137 1090961169 /nfs/dbraw/zinc/96/11/69/1090961169.db2.gz PZTRNHIDQAPXQF-QZTJIDSGSA-N 2 2 310.441 3.406 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cn(C(C)=O)c2ccccc12 ZINC001204412575 1090964224 /nfs/dbraw/zinc/96/42/24/1090964224.db2.gz QDWZQUFAKMGEMT-UHFFFAOYSA-N 2 2 310.401 3.020 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)c1 ZINC001204440947 1090969540 /nfs/dbraw/zinc/96/95/40/1090969540.db2.gz AWFAIGIHWRSVTL-FUHWJXTLSA-N 2 2 315.461 3.205 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC001204531866 1090992591 /nfs/dbraw/zinc/99/25/91/1090992591.db2.gz ARAFBVTUBYCXCZ-OALUTQOASA-N 2 2 310.441 3.460 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001205002065 1091080568 /nfs/dbraw/zinc/08/05/68/1091080568.db2.gz YOXJXNKSCVUBSB-GFCCVEGCSA-N 2 2 301.261 3.467 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001205002065 1091080575 /nfs/dbraw/zinc/08/05/75/1091080575.db2.gz YOXJXNKSCVUBSB-GFCCVEGCSA-N 2 2 301.261 3.467 20 0 DGADLP C[NH2+][C@H](c1nc(-c2ccccc2-n2cc[nH+]c2)no1)C(C)(C)C ZINC001204891078 1091056808 /nfs/dbraw/zinc/05/68/08/1091056808.db2.gz ZSNQEEYWGHWZOW-CQSZACIVSA-N 2 2 311.389 3.229 20 0 DGADLP COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001205068117 1091093690 /nfs/dbraw/zinc/09/36/90/1091093690.db2.gz BQKQRYVWLCFIPF-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001205068117 1091093696 /nfs/dbraw/zinc/09/36/96/1091093696.db2.gz BQKQRYVWLCFIPF-ZFWWWQNUSA-N 2 2 314.429 3.169 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124287 1091108157 /nfs/dbraw/zinc/10/81/57/1091108157.db2.gz NLQCODJMMSLOBK-SNVBAGLBSA-N 2 2 303.269 3.132 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124287 1091108159 /nfs/dbraw/zinc/10/81/59/1091108159.db2.gz NLQCODJMMSLOBK-SNVBAGLBSA-N 2 2 303.269 3.132 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205124411 1091108370 /nfs/dbraw/zinc/10/83/70/1091108370.db2.gz QMBULBIJQYRENF-CQSZACIVSA-N 2 2 316.367 3.417 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205124411 1091108371 /nfs/dbraw/zinc/10/83/71/1091108371.db2.gz QMBULBIJQYRENF-CQSZACIVSA-N 2 2 316.367 3.417 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205201348 1091128202 /nfs/dbraw/zinc/12/82/02/1091128202.db2.gz BWYHOOWYUYWKBZ-FZKQIMNGSA-N 2 2 314.404 3.423 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205201348 1091128207 /nfs/dbraw/zinc/12/82/07/1091128207.db2.gz BWYHOOWYUYWKBZ-FZKQIMNGSA-N 2 2 314.404 3.423 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205201683 1091129194 /nfs/dbraw/zinc/12/91/94/1091129194.db2.gz JJFPDGZNIQOUOK-AUUYWEPGSA-N 2 2 324.424 3.062 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205201683 1091129199 /nfs/dbraw/zinc/12/91/99/1091129199.db2.gz JJFPDGZNIQOUOK-AUUYWEPGSA-N 2 2 324.424 3.062 20 0 DGADLP Cc1cn2cc(-c3ccc(OCCC[NH+](C)C)nc3)ccc2[nH+]1 ZINC001205232989 1091141850 /nfs/dbraw/zinc/14/18/50/1091141850.db2.gz IZLPXGMCEJWERB-UHFFFAOYSA-N 2 2 310.401 3.035 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2OC(F)(F)F)CC1 ZINC001205265719 1091157593 /nfs/dbraw/zinc/15/75/93/1091157593.db2.gz QWHTXSPIDMWJOI-CQSZACIVSA-N 2 2 302.340 3.289 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2OC(F)(F)F)CC1 ZINC001205265719 1091157603 /nfs/dbraw/zinc/15/76/03/1091157603.db2.gz QWHTXSPIDMWJOI-CQSZACIVSA-N 2 2 302.340 3.289 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138375396 1091158274 /nfs/dbraw/zinc/15/82/74/1091158274.db2.gz LAAABVORYPDNST-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138375396 1091158288 /nfs/dbraw/zinc/15/82/88/1091158288.db2.gz LAAABVORYPDNST-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205273199 1091158852 /nfs/dbraw/zinc/15/88/52/1091158852.db2.gz HNLZDLVAXVKPPB-QGZVFWFLSA-N 2 2 318.852 3.433 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)CC1 ZINC001205273199 1091158857 /nfs/dbraw/zinc/15/88/57/1091158857.db2.gz HNLZDLVAXVKPPB-QGZVFWFLSA-N 2 2 318.852 3.433 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205325671 1091185684 /nfs/dbraw/zinc/18/56/84/1091185684.db2.gz QUGYWHAWPHGBJA-CYBMUJFWSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205325671 1091185687 /nfs/dbraw/zinc/18/56/87/1091185687.db2.gz QUGYWHAWPHGBJA-CYBMUJFWSA-N 2 2 301.459 3.302 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138529902 1091217849 /nfs/dbraw/zinc/21/78/49/1091217849.db2.gz CHHXELOXVVFTME-CRAIPNDOSA-N 2 2 313.470 3.194 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138529902 1091217856 /nfs/dbraw/zinc/21/78/56/1091217856.db2.gz CHHXELOXVVFTME-CRAIPNDOSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2C1 ZINC001138532425 1091220230 /nfs/dbraw/zinc/22/02/30/1091220230.db2.gz QBNMMJGGTCVOPT-HOTGVXAUSA-N 2 2 313.470 3.194 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001138544693 1091222184 /nfs/dbraw/zinc/22/21/84/1091222184.db2.gz MXXYRYHPQYKUKO-IAGOWNOFSA-N 2 2 305.372 3.453 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1 ZINC001138544693 1091222193 /nfs/dbraw/zinc/22/21/93/1091222193.db2.gz MXXYRYHPQYKUKO-IAGOWNOFSA-N 2 2 305.372 3.453 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001205574677 1091261920 /nfs/dbraw/zinc/26/19/20/1091261920.db2.gz MSYYTMHDLGAYMZ-UHFFFAOYSA-N 2 2 318.424 3.164 20 0 DGADLP COc1cc(C)c(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(C)c1C ZINC001138727916 1091303675 /nfs/dbraw/zinc/30/36/75/1091303675.db2.gz XCSKWTRPNFBHLT-WMZOPIPTSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(C)c1C ZINC001138727916 1091303685 /nfs/dbraw/zinc/30/36/85/1091303685.db2.gz XCSKWTRPNFBHLT-WMZOPIPTSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c(C)c1C ZINC001138727916 1091303696 /nfs/dbraw/zinc/30/36/96/1091303696.db2.gz XCSKWTRPNFBHLT-WMZOPIPTSA-N 2 2 302.462 3.146 20 0 DGADLP COc1cc(C)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(C)c1C ZINC001138727916 1091303710 /nfs/dbraw/zinc/30/37/10/1091303710.db2.gz XCSKWTRPNFBHLT-WMZOPIPTSA-N 2 2 302.462 3.146 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000163495587 1091314440 /nfs/dbraw/zinc/31/44/40/1091314440.db2.gz XRTJJKQRJFCRJS-SMDDNHRTSA-N 2 2 311.267 3.174 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000163495587 1091314450 /nfs/dbraw/zinc/31/44/50/1091314450.db2.gz XRTJJKQRJFCRJS-SMDDNHRTSA-N 2 2 311.267 3.174 20 0 DGADLP c1cn2c(cccc2CN2CCCC3(C[NH+](C4CCCC4)C3)C2)[nH+]1 ZINC001276483852 1091326528 /nfs/dbraw/zinc/32/65/28/1091326528.db2.gz ICLSWSFVJIQOGM-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1C(F)F ZINC001205788809 1091347746 /nfs/dbraw/zinc/34/77/46/1091347746.db2.gz RUNWVZGALMHQKM-LLVKDONJSA-N 2 2 320.330 3.049 20 0 DGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1C(F)F ZINC001205788809 1091347760 /nfs/dbraw/zinc/34/77/60/1091347760.db2.gz RUNWVZGALMHQKM-LLVKDONJSA-N 2 2 320.330 3.049 20 0 DGADLP COc1cc2ccccc2cc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205787378 1091348147 /nfs/dbraw/zinc/34/81/47/1091348147.db2.gz GGKMWEGMAKOWBS-INIZCTEOSA-N 2 2 320.383 3.264 20 0 DGADLP COc1cc2ccccc2cc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205787378 1091348159 /nfs/dbraw/zinc/34/81/59/1091348159.db2.gz GGKMWEGMAKOWBS-INIZCTEOSA-N 2 2 320.383 3.264 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)CCC1(F)F ZINC001205787779 1091348183 /nfs/dbraw/zinc/34/81/83/1091348183.db2.gz IWHSJKKTNDGVSU-ZDUSSCGKSA-N 2 2 323.362 3.237 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)CCC1(F)F ZINC001205787779 1091348194 /nfs/dbraw/zinc/34/81/94/1091348194.db2.gz IWHSJKKTNDGVSU-ZDUSSCGKSA-N 2 2 323.362 3.237 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001205821739 1091366964 /nfs/dbraw/zinc/36/69/64/1091366964.db2.gz GBLPFQDXPSKVOH-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001205821739 1091366976 /nfs/dbraw/zinc/36/69/76/1091366976.db2.gz GBLPFQDXPSKVOH-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842130 1091376356 /nfs/dbraw/zinc/37/63/56/1091376356.db2.gz MQINBNZGZSNXGB-DOTOQJQBSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001205842130 1091376364 /nfs/dbraw/zinc/37/63/64/1091376364.db2.gz MQINBNZGZSNXGB-DOTOQJQBSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001205844594 1091378499 /nfs/dbraw/zinc/37/84/99/1091378499.db2.gz XOBLTDWNOTVZSM-UKRRQHHQSA-N 2 2 318.852 3.085 20 0 DGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1OCC ZINC001138970067 1091399073 /nfs/dbraw/zinc/39/90/73/1091399073.db2.gz FUPHFKMSMAWDIY-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1OCC ZINC001138970067 1091399084 /nfs/dbraw/zinc/39/90/84/1091399084.db2.gz FUPHFKMSMAWDIY-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903310 1091402361 /nfs/dbraw/zinc/40/23/61/1091402361.db2.gz OHYLAOCOSBQNFT-KKNSGIEWSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001205903310 1091402365 /nfs/dbraw/zinc/40/23/65/1091402365.db2.gz OHYLAOCOSBQNFT-KKNSGIEWSA-N 2 2 323.278 3.482 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001139055291 1091432088 /nfs/dbraw/zinc/43/20/88/1091432088.db2.gz MTCIGGSWUXYKIK-PMACEKPBSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001139055291 1091432092 /nfs/dbraw/zinc/43/20/92/1091432092.db2.gz MTCIGGSWUXYKIK-PMACEKPBSA-N 2 2 314.473 3.141 20 0 DGADLP Clc1cc(C[NH2+][C@H]2CC23CC3)ccc1OCCn1cc[nH+]c1 ZINC001202902089 1091467710 /nfs/dbraw/zinc/46/77/10/1091467710.db2.gz JKLRJZGMPHPSSM-INIZCTEOSA-N 2 2 317.820 3.258 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197206 1091530410 /nfs/dbraw/zinc/53/04/10/1091530410.db2.gz GTJWWMWAKOFMDS-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197206 1091530417 /nfs/dbraw/zinc/53/04/17/1091530417.db2.gz GTJWWMWAKOFMDS-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206175217 1091523050 /nfs/dbraw/zinc/52/30/50/1091523050.db2.gz SLLKRQOGAVBNSC-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206175217 1091523059 /nfs/dbraw/zinc/52/30/59/1091523059.db2.gz SLLKRQOGAVBNSC-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP c1cnc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)cn1 ZINC001139389079 1091541475 /nfs/dbraw/zinc/54/14/75/1091541475.db2.gz QCJMVMLIWAMTOW-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206278112 1091559437 /nfs/dbraw/zinc/55/94/37/1091559437.db2.gz YSIJKCXGUKBNGG-INIZCTEOSA-N 2 2 310.441 3.404 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206278112 1091559444 /nfs/dbraw/zinc/55/94/44/1091559444.db2.gz YSIJKCXGUKBNGG-INIZCTEOSA-N 2 2 310.441 3.404 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001206352130 1091590718 /nfs/dbraw/zinc/59/07/18/1091590718.db2.gz OYASNJAXNHNJNA-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001206352130 1091590724 /nfs/dbraw/zinc/59/07/24/1091590724.db2.gz OYASNJAXNHNJNA-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001206369235 1091601633 /nfs/dbraw/zinc/60/16/33/1091601633.db2.gz ABZCRXPKQRWLHY-QGZVFWFLSA-N 2 2 305.372 3.027 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001206369235 1091601637 /nfs/dbraw/zinc/60/16/37/1091601637.db2.gz ABZCRXPKQRWLHY-QGZVFWFLSA-N 2 2 305.372 3.027 20 0 DGADLP CCC1(C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)COC1 ZINC001202963656 1091653437 /nfs/dbraw/zinc/65/34/37/1091653437.db2.gz DCMYHBHWOQFYCM-UHFFFAOYSA-N 2 2 320.452 3.149 20 0 DGADLP CCC1(C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)COC1 ZINC001202963656 1091653440 /nfs/dbraw/zinc/65/34/40/1091653440.db2.gz DCMYHBHWOQFYCM-UHFFFAOYSA-N 2 2 320.452 3.149 20 0 DGADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206573495 1091673340 /nfs/dbraw/zinc/67/33/40/1091673340.db2.gz LWXWRJHQOGTMNF-QGZVFWFLSA-N 2 2 324.852 3.078 20 0 DGADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206573495 1091673345 /nfs/dbraw/zinc/67/33/45/1091673345.db2.gz LWXWRJHQOGTMNF-QGZVFWFLSA-N 2 2 324.852 3.078 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842497 1091689486 /nfs/dbraw/zinc/68/94/86/1091689486.db2.gz IWPIASOKCPETIK-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842497 1091689489 /nfs/dbraw/zinc/68/94/89/1091689489.db2.gz IWPIASOKCPETIK-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842497 1091689492 /nfs/dbraw/zinc/68/94/92/1091689492.db2.gz IWPIASOKCPETIK-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001139842497 1091689495 /nfs/dbraw/zinc/68/94/95/1091689495.db2.gz IWPIASOKCPETIK-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206769728 1091734438 /nfs/dbraw/zinc/73/44/38/1091734438.db2.gz PTABZNZAJMKKAJ-VXGBXAGGSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206769728 1091734443 /nfs/dbraw/zinc/73/44/43/1091734443.db2.gz PTABZNZAJMKKAJ-VXGBXAGGSA-N 2 2 316.367 3.273 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001140021448 1091741082 /nfs/dbraw/zinc/74/10/82/1091741082.db2.gz MDDVGCDRNUWDDA-LJQANCHMSA-N 2 2 313.445 3.165 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001140021448 1091741087 /nfs/dbraw/zinc/74/10/87/1091741087.db2.gz MDDVGCDRNUWDDA-LJQANCHMSA-N 2 2 313.445 3.165 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140021541 1091741209 /nfs/dbraw/zinc/74/12/09/1091741209.db2.gz NSYNIQCGYGMHMM-LPHOPBHVSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140021541 1091741214 /nfs/dbraw/zinc/74/12/14/1091741214.db2.gz NSYNIQCGYGMHMM-LPHOPBHVSA-N 2 2 311.429 3.182 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc(O)ccc2F)C2CCCC2)CC1 ZINC001140053235 1091750344 /nfs/dbraw/zinc/75/03/44/1091750344.db2.gz WGRRABKPKWCQIF-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc(O)ccc2F)C2CCCC2)CC1 ZINC001140053235 1091750346 /nfs/dbraw/zinc/75/03/46/1091750346.db2.gz WGRRABKPKWCQIF-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3cc(-c4ccc(F)cc4)on3)C2)CC1 ZINC001206839968 1091761848 /nfs/dbraw/zinc/76/18/48/1091761848.db2.gz ZQAOOHFNQGQZBE-UHFFFAOYSA-N 2 2 315.392 3.008 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498217 1091771676 /nfs/dbraw/zinc/77/16/76/1091771676.db2.gz SUWRQINOAOBGJI-QUCCMNQESA-N 3 2 319.537 3.059 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498217 1091771679 /nfs/dbraw/zinc/77/16/79/1091771679.db2.gz SUWRQINOAOBGJI-QUCCMNQESA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498217 1091771685 /nfs/dbraw/zinc/77/16/85/1091771685.db2.gz SUWRQINOAOBGJI-QUCCMNQESA-N 3 2 319.537 3.059 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)C1 ZINC001276498217 1091771689 /nfs/dbraw/zinc/77/16/89/1091771689.db2.gz SUWRQINOAOBGJI-QUCCMNQESA-N 3 2 319.537 3.059 20 0 DGADLP C[N@H+](Cc1cncc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207024857 1091820444 /nfs/dbraw/zinc/82/04/44/1091820444.db2.gz HMYRPHJUAWMSBI-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP C[N@@H+](Cc1cncc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207024857 1091820451 /nfs/dbraw/zinc/82/04/51/1091820451.db2.gz HMYRPHJUAWMSBI-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381596 1091843904 /nfs/dbraw/zinc/84/39/04/1091843904.db2.gz FRMOEWGUEJUXBP-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381596 1091843908 /nfs/dbraw/zinc/84/39/08/1091843908.db2.gz FRMOEWGUEJUXBP-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381596 1091843917 /nfs/dbraw/zinc/84/39/17/1091843917.db2.gz FRMOEWGUEJUXBP-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381596 1091843923 /nfs/dbraw/zinc/84/39/23/1091843923.db2.gz FRMOEWGUEJUXBP-AZUAARDMSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2n[nH]cc2c1 ZINC001140388627 1091847801 /nfs/dbraw/zinc/84/78/01/1091847801.db2.gz ZSKWNYSSUNRUDE-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2n[nH]cc2c1 ZINC001140388627 1091847810 /nfs/dbraw/zinc/84/78/10/1091847810.db2.gz ZSKWNYSSUNRUDE-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cncc(C)c4)C[C@@H]3C2)cc1 ZINC001207155766 1091867721 /nfs/dbraw/zinc/86/77/21/1091867721.db2.gz BNNRJMAHIIFAOY-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446505 1091868120 /nfs/dbraw/zinc/86/81/20/1091868120.db2.gz JJYVFWXCRRRIPE-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446505 1091868125 /nfs/dbraw/zinc/86/81/25/1091868125.db2.gz JJYVFWXCRRRIPE-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446505 1091868130 /nfs/dbraw/zinc/86/81/30/1091868130.db2.gz JJYVFWXCRRRIPE-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001140446505 1091868135 /nfs/dbraw/zinc/86/81/35/1091868135.db2.gz JJYVFWXCRRRIPE-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@@H+](CCC4CC4)C3)C2)c1 ZINC001276513068 1091873217 /nfs/dbraw/zinc/87/32/17/1091873217.db2.gz GVCRIGVONATKQR-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@H+](CCC4CC4)C3)C2)c1 ZINC001276513068 1091873221 /nfs/dbraw/zinc/87/32/21/1091873221.db2.gz GVCRIGVONATKQR-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@]3(CCC[NH+](CCC4CC4)C3)C2)c1 ZINC001276513068 1091873225 /nfs/dbraw/zinc/87/32/25/1091873225.db2.gz GVCRIGVONATKQR-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@]3(CCC[NH+](CCC4CC4)C3)C2)c1 ZINC001276513068 1091873229 /nfs/dbraw/zinc/87/32/29/1091873229.db2.gz GVCRIGVONATKQR-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207173864 1091874595 /nfs/dbraw/zinc/87/45/95/1091874595.db2.gz LCWATHYIWLNLSY-QGZVFWFLSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207173864 1091874600 /nfs/dbraw/zinc/87/46/00/1091874600.db2.gz LCWATHYIWLNLSY-QGZVFWFLSA-N 2 2 304.482 3.304 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CCC3CCCCC3)CC2)c1 ZINC001207260124 1091902488 /nfs/dbraw/zinc/90/24/88/1091902488.db2.gz QSMPHTNLSRWQEU-UHFFFAOYSA-N 2 2 303.450 3.183 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC(C(=O)c2ccccc2F)CC1 ZINC001207284225 1091910696 /nfs/dbraw/zinc/91/06/96/1091910696.db2.gz MDQJGCFNUFYMLH-UHFFFAOYSA-N 2 2 320.452 3.308 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001207283085 1091911447 /nfs/dbraw/zinc/91/14/47/1091911447.db2.gz RFBYWSQSYQYCKP-GASCZTMLSA-N 2 2 324.472 3.104 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001207283085 1091911451 /nfs/dbraw/zinc/91/14/51/1091911451.db2.gz RFBYWSQSYQYCKP-GASCZTMLSA-N 2 2 324.472 3.104 20 0 DGADLP CC(C)CCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276527197 1091940886 /nfs/dbraw/zinc/94/08/86/1091940886.db2.gz JBPAXYRFCBMZJQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276527197 1091940893 /nfs/dbraw/zinc/94/08/93/1091940893.db2.gz JBPAXYRFCBMZJQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276527197 1091940898 /nfs/dbraw/zinc/94/08/98/1091940898.db2.gz JBPAXYRFCBMZJQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276527197 1091940905 /nfs/dbraw/zinc/94/09/05/1091940905.db2.gz JBPAXYRFCBMZJQ-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383801 1091950342 /nfs/dbraw/zinc/95/03/42/1091950342.db2.gz HKYWLNMIQOZIME-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383801 1091950350 /nfs/dbraw/zinc/95/03/50/1091950350.db2.gz HKYWLNMIQOZIME-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383801 1091950359 /nfs/dbraw/zinc/95/03/59/1091950359.db2.gz HKYWLNMIQOZIME-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383801 1091950365 /nfs/dbraw/zinc/95/03/65/1091950365.db2.gz HKYWLNMIQOZIME-GDBMZVCRSA-N 2 2 323.278 3.018 20 0 DGADLP COc1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001207472083 1091979814 /nfs/dbraw/zinc/97/98/14/1091979814.db2.gz CVNOKAUFSHLEFK-UHFFFAOYSA-N 2 2 312.413 3.176 20 0 DGADLP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000716319201 1092037953 /nfs/dbraw/zinc/03/79/53/1092037953.db2.gz OBOGCYCXTOVSRS-RDTXWAMCSA-N 2 2 310.445 3.416 20 0 DGADLP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)nc(C)[nH+]1 ZINC000716319201 1092037964 /nfs/dbraw/zinc/03/79/64/1092037964.db2.gz OBOGCYCXTOVSRS-RDTXWAMCSA-N 2 2 310.445 3.416 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001207623206 1092046718 /nfs/dbraw/zinc/04/67/18/1092046718.db2.gz SNWNNKCWTTVQEQ-BSDSXHPESA-N 2 2 309.542 3.205 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001207623206 1092046721 /nfs/dbraw/zinc/04/67/21/1092046721.db2.gz SNWNNKCWTTVQEQ-BSDSXHPESA-N 2 2 309.542 3.205 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001207623207 1092047317 /nfs/dbraw/zinc/04/73/17/1092047317.db2.gz SNWNNKCWTTVQEQ-FJIDUMEYSA-N 2 2 309.542 3.205 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001207623207 1092047323 /nfs/dbraw/zinc/04/73/23/1092047323.db2.gz SNWNNKCWTTVQEQ-FJIDUMEYSA-N 2 2 309.542 3.205 20 0 DGADLP COc1ccc(SCC[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC001207742586 1092086384 /nfs/dbraw/zinc/08/63/84/1092086384.db2.gz XDRMFPILXVBLHR-UHFFFAOYSA-N 2 2 320.502 3.394 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC001207825087 1092109216 /nfs/dbraw/zinc/10/92/16/1092109216.db2.gz UDBPWIWFGKMNMD-CVEARBPZSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1 ZINC001207825087 1092109222 /nfs/dbraw/zinc/10/92/22/1092109222.db2.gz UDBPWIWFGKMNMD-CVEARBPZSA-N 2 2 305.466 3.387 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962704 1092160069 /nfs/dbraw/zinc/16/00/69/1092160069.db2.gz VMIJHYDJTNVBGP-IBGZPJMESA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207962704 1092160077 /nfs/dbraw/zinc/16/00/77/1092160077.db2.gz VMIJHYDJTNVBGP-IBGZPJMESA-N 2 2 320.452 3.291 20 0 DGADLP Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]c2ccccc12 ZINC000089603078 1092376504 /nfs/dbraw/zinc/37/65/04/1092376504.db2.gz ODYBJFFYHJKWKU-MRXNPFEDSA-N 2 2 311.429 3.208 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606817 1092424702 /nfs/dbraw/zinc/42/47/02/1092424702.db2.gz HDXVNEGBIUWWJF-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606817 1092424714 /nfs/dbraw/zinc/42/47/14/1092424714.db2.gz HDXVNEGBIUWWJF-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606817 1092424719 /nfs/dbraw/zinc/42/47/19/1092424719.db2.gz HDXVNEGBIUWWJF-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606817 1092424728 /nfs/dbraw/zinc/42/47/28/1092424728.db2.gz HDXVNEGBIUWWJF-FQEVSTJZSA-N 2 2 309.457 3.426 20 0 DGADLP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208650329 1092442549 /nfs/dbraw/zinc/44/25/49/1092442549.db2.gz YYPOMRWATJGTKK-GUYCJALGSA-N 2 2 317.477 3.247 20 0 DGADLP CC/C=C\CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001208727544 1092476453 /nfs/dbraw/zinc/47/64/53/1092476453.db2.gz NZFSDJKMYPWUPR-XITLMJRVSA-N 2 2 304.482 3.456 20 0 DGADLP CC/C=C\CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001208727544 1092476459 /nfs/dbraw/zinc/47/64/59/1092476459.db2.gz NZFSDJKMYPWUPR-XITLMJRVSA-N 2 2 304.482 3.456 20 0 DGADLP CC/C=C\CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001208727544 1092476464 /nfs/dbraw/zinc/47/64/64/1092476464.db2.gz NZFSDJKMYPWUPR-XITLMJRVSA-N 2 2 304.482 3.456 20 0 DGADLP CC/C=C\CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001208727544 1092476468 /nfs/dbraw/zinc/47/64/68/1092476468.db2.gz NZFSDJKMYPWUPR-XITLMJRVSA-N 2 2 304.482 3.456 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCc2cccnc2OC(C)C)CC1 ZINC001208797974 1092513790 /nfs/dbraw/zinc/51/37/90/1092513790.db2.gz BGWCDTRKLOACBJ-UHFFFAOYSA-N 2 2 319.493 3.218 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001169123048 1092544303 /nfs/dbraw/zinc/54/43/03/1092544303.db2.gz IGZHBKMCHQWGBL-AFYVEPGGSA-N 3 2 317.521 3.022 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001169123048 1092544311 /nfs/dbraw/zinc/54/43/11/1092544311.db2.gz IGZHBKMCHQWGBL-AFYVEPGGSA-N 3 2 317.521 3.022 20 0 DGADLP COCCOc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169154042 1092567695 /nfs/dbraw/zinc/56/76/95/1092567695.db2.gz VSUQZVJAILAWNY-CRAIPNDOSA-N 2 2 321.465 3.062 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208939106 1092601226 /nfs/dbraw/zinc/60/12/26/1092601226.db2.gz FBNQPAIZSQEFKF-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208939106 1092601230 /nfs/dbraw/zinc/60/12/30/1092601230.db2.gz FBNQPAIZSQEFKF-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208939106 1092601232 /nfs/dbraw/zinc/60/12/32/1092601232.db2.gz FBNQPAIZSQEFKF-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP CC[C@@]12C[C@@H](CO1)[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208939106 1092601234 /nfs/dbraw/zinc/60/12/34/1092601234.db2.gz FBNQPAIZSQEFKF-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@]1(F)CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943269 1092603934 /nfs/dbraw/zinc/60/39/34/1092603934.db2.gz TYILOYBKSADEBP-KSZLIROESA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943269 1092603938 /nfs/dbraw/zinc/60/39/38/1092603938.db2.gz TYILOYBKSADEBP-KSZLIROESA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943269 1092603945 /nfs/dbraw/zinc/60/39/45/1092603945.db2.gz TYILOYBKSADEBP-KSZLIROESA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208943269 1092603948 /nfs/dbraw/zinc/60/39/48/1092603948.db2.gz TYILOYBKSADEBP-KSZLIROESA-N 2 2 308.416 3.281 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001169232902 1092604073 /nfs/dbraw/zinc/60/40/73/1092604073.db2.gz HVNZXYJODMLKSP-UHFFFAOYSA-N 2 2 302.462 3.439 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946457 1092606543 /nfs/dbraw/zinc/60/65/43/1092606543.db2.gz VUTNCTRPPWFBRW-YQVWRLOYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946457 1092606546 /nfs/dbraw/zinc/60/65/46/1092606546.db2.gz VUTNCTRPPWFBRW-YQVWRLOYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946457 1092606548 /nfs/dbraw/zinc/60/65/48/1092606548.db2.gz VUTNCTRPPWFBRW-YQVWRLOYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC001208946457 1092606552 /nfs/dbraw/zinc/60/65/52/1092606552.db2.gz VUTNCTRPPWFBRW-YQVWRLOYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H]1CN(Cc2ccc3[nH+]ccn3c2)CC[N@@H+]1C1CCCCC1 ZINC001143032848 1092607404 /nfs/dbraw/zinc/60/74/04/1092607404.db2.gz RATFIEQQVQLUBI-INIZCTEOSA-N 2 2 312.461 3.173 20 0 DGADLP C[C@H]1CN(Cc2ccc3[nH+]ccn3c2)CC[N@H+]1C1CCCCC1 ZINC001143032848 1092607410 /nfs/dbraw/zinc/60/74/10/1092607410.db2.gz RATFIEQQVQLUBI-INIZCTEOSA-N 2 2 312.461 3.173 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208953228 1092608449 /nfs/dbraw/zinc/60/84/49/1092608449.db2.gz PENJYIJABGXYIG-GOSISDBHSA-N 2 2 307.441 3.003 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208953228 1092608452 /nfs/dbraw/zinc/60/84/52/1092608452.db2.gz PENJYIJABGXYIG-GOSISDBHSA-N 2 2 307.441 3.003 20 0 DGADLP COc1cc(C)cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001143160540 1092624337 /nfs/dbraw/zinc/62/43/37/1092624337.db2.gz PLKOLFOSUMQOOA-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP Cc1ncccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276623405 1092711800 /nfs/dbraw/zinc/71/18/00/1092711800.db2.gz VSUNBAWMYCPXIX-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ncccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276623405 1092711808 /nfs/dbraw/zinc/71/18/08/1092711808.db2.gz VSUNBAWMYCPXIX-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276623405 1092711816 /nfs/dbraw/zinc/71/18/16/1092711816.db2.gz VSUNBAWMYCPXIX-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276623405 1092711825 /nfs/dbraw/zinc/71/18/25/1092711825.db2.gz VSUNBAWMYCPXIX-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001209324259 1092735139 /nfs/dbraw/zinc/73/51/39/1092735139.db2.gz ZOWYOVXTESPCGS-IBGZPJMESA-N 2 2 308.425 3.258 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001209324259 1092735148 /nfs/dbraw/zinc/73/51/48/1092735148.db2.gz ZOWYOVXTESPCGS-IBGZPJMESA-N 2 2 308.425 3.258 20 0 DGADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1c[nH+]ccc1N ZINC001209733664 1092894327 /nfs/dbraw/zinc/89/43/27/1092894327.db2.gz RCOFNWSNWURVPJ-UHFFFAOYSA-N 2 2 311.307 3.025 20 0 DGADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1c[nH+]ccc1N ZINC001209733664 1092894337 /nfs/dbraw/zinc/89/43/37/1092894337.db2.gz RCOFNWSNWURVPJ-UHFFFAOYSA-N 2 2 311.307 3.025 20 0 DGADLP CC(C)(C)c1ccc(N2CC[NH+](Cc3c[nH+]ccc3N)CC2)cc1 ZINC001209736102 1092896654 /nfs/dbraw/zinc/89/66/54/1092896654.db2.gz CVRJHXMVNQGULI-UHFFFAOYSA-N 2 2 324.472 3.114 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)c[nH+]1 ZINC001276682499 1093130758 /nfs/dbraw/zinc/13/07/58/1093130758.db2.gz NUWRKNHCZKEUMC-UHFFFAOYSA-N 3 2 316.493 3.339 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)c[nH+]1 ZINC001276682499 1093130765 /nfs/dbraw/zinc/13/07/65/1093130765.db2.gz NUWRKNHCZKEUMC-UHFFFAOYSA-N 3 2 316.493 3.339 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)CCO1 ZINC001210401460 1093156085 /nfs/dbraw/zinc/15/60/85/1093156085.db2.gz ZCBCAELVNOYYKN-CQSZACIVSA-N 2 2 312.438 3.214 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4sc32)CCO1 ZINC001210401460 1093156088 /nfs/dbraw/zinc/15/60/88/1093156088.db2.gz ZCBCAELVNOYYKN-CQSZACIVSA-N 2 2 312.438 3.214 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccn1-c1ccccc1F ZINC001276684897 1093180544 /nfs/dbraw/zinc/18/05/44/1093180544.db2.gz OVCREMIMVLYOBT-MQVJKMGUSA-N 2 2 313.420 3.331 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccn1-c1ccccc1F ZINC001276684897 1093180546 /nfs/dbraw/zinc/18/05/46/1093180546.db2.gz OVCREMIMVLYOBT-MQVJKMGUSA-N 2 2 313.420 3.331 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(c3cccc(Cl)c3)CC2)O1 ZINC001210519934 1093195817 /nfs/dbraw/zinc/19/58/17/1093195817.db2.gz VDNZCPMYDCYGPM-INIZCTEOSA-N 2 2 308.853 3.244 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CCC1(F)F ZINC000403206203 1094102339 /nfs/dbraw/zinc/10/23/39/1094102339.db2.gz CSKKFKPFEGETKS-NSHDSACASA-N 2 2 324.293 3.001 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCC1(F)F ZINC000403206203 1094102340 /nfs/dbraw/zinc/10/23/40/1094102340.db2.gz CSKKFKPFEGETKS-NSHDSACASA-N 2 2 324.293 3.001 20 0 DGADLP C[NH+](C)Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1F ZINC001216227246 1094151710 /nfs/dbraw/zinc/15/17/10/1094151710.db2.gz XIVCDJWPLFUDBL-UHFFFAOYSA-N 2 2 313.298 3.467 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001119963095 1094323828 /nfs/dbraw/zinc/32/38/28/1094323828.db2.gz BSVVQNNNABVARD-RHSMWYFYSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC001119963095 1094323839 /nfs/dbraw/zinc/32/38/39/1094323839.db2.gz BSVVQNNNABVARD-RHSMWYFYSA-N 2 2 322.880 3.114 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001135043070 1094373517 /nfs/dbraw/zinc/37/35/17/1094373517.db2.gz GGZQVTRXVRPJDF-UKRRQHHQSA-N 2 2 317.477 3.293 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc(N)cc[nH+]1 ZINC001218245536 1094677655 /nfs/dbraw/zinc/67/76/55/1094677655.db2.gz GSRRVBWHLVIPBT-KRWDZBQOSA-N 2 2 311.429 3.343 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cc(N)cc[nH+]1 ZINC001218245536 1094677663 /nfs/dbraw/zinc/67/76/63/1094677663.db2.gz GSRRVBWHLVIPBT-KRWDZBQOSA-N 2 2 311.429 3.343 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001336708157 1094705145 /nfs/dbraw/zinc/70/51/45/1094705145.db2.gz YOFUSYYSXUOOMC-ZFWWWQNUSA-N 2 2 320.234 3.135 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1 ZINC001336805731 1094744374 /nfs/dbraw/zinc/74/43/74/1094744374.db2.gz XQJCIQYRYVCCIP-RDJZCZTQSA-N 2 2 314.420 3.065 20 0 DGADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001171030907 1095159768 /nfs/dbraw/zinc/15/97/68/1095159768.db2.gz QOVIYKKNZJLILI-HOTGVXAUSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001171030907 1095159773 /nfs/dbraw/zinc/15/97/73/1095159773.db2.gz QOVIYKKNZJLILI-HOTGVXAUSA-N 2 2 304.865 3.271 20 0 DGADLP c1cc(OC2CC[NH+](Cc3ccc4c(c3)COC4)CC2)cc[nH+]1 ZINC001137023639 1095288312 /nfs/dbraw/zinc/28/83/12/1095288312.db2.gz YMHUWOMZQTVMSR-UHFFFAOYSA-N 2 2 310.397 3.155 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276823351 1095298702 /nfs/dbraw/zinc/29/87/02/1095298702.db2.gz UCQZRUITCNPKIL-IBGZPJMESA-N 2 2 316.493 3.257 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276823351 1095298713 /nfs/dbraw/zinc/29/87/13/1095298713.db2.gz UCQZRUITCNPKIL-IBGZPJMESA-N 2 2 316.493 3.257 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276823351 1095298722 /nfs/dbraw/zinc/29/87/22/1095298722.db2.gz UCQZRUITCNPKIL-IBGZPJMESA-N 2 2 316.493 3.257 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276823351 1095298729 /nfs/dbraw/zinc/29/87/29/1095298729.db2.gz UCQZRUITCNPKIL-IBGZPJMESA-N 2 2 316.493 3.257 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2c(c1)CCC2 ZINC001116065575 1095448792 /nfs/dbraw/zinc/44/87/92/1095448792.db2.gz UFCUZKXTUKLTHT-UHFFFAOYSA-N 2 2 318.380 3.317 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC(C)C)c1 ZINC001222154733 1095463289 /nfs/dbraw/zinc/46/32/89/1095463289.db2.gz QBGBEYKGMJLWNK-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC(C)C)c1 ZINC001222154733 1095463293 /nfs/dbraw/zinc/46/32/93/1095463293.db2.gz QBGBEYKGMJLWNK-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154661 1095463302 /nfs/dbraw/zinc/46/33/02/1095463302.db2.gz PBZDYEHSQUBZAU-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154661 1095463304 /nfs/dbraw/zinc/46/33/04/1095463304.db2.gz PBZDYEHSQUBZAU-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP CCCOc1cc(F)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154607 1095463317 /nfs/dbraw/zinc/46/33/17/1095463317.db2.gz OERMRCBNWBUXMW-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP CCCOc1cc(F)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154607 1095463319 /nfs/dbraw/zinc/46/33/19/1095463319.db2.gz OERMRCBNWBUXMW-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc2ccccn12 ZINC001222159951 1095466921 /nfs/dbraw/zinc/46/69/21/1095466921.db2.gz AMIRLAOZRNRWCI-LJQANCHMSA-N 2 2 312.461 3.080 20 0 DGADLP c1c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nc2ccccn12 ZINC001222159951 1095466925 /nfs/dbraw/zinc/46/69/25/1095466925.db2.gz AMIRLAOZRNRWCI-LJQANCHMSA-N 2 2 312.461 3.080 20 0 DGADLP Clc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222159944 1095466994 /nfs/dbraw/zinc/46/69/94/1095466994.db2.gz AIUMGDGGURDCMQ-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222159944 1095466998 /nfs/dbraw/zinc/46/69/98/1095466998.db2.gz AIUMGDGGURDCMQ-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cccnc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222168251 1095475383 /nfs/dbraw/zinc/47/53/83/1095475383.db2.gz YRBLEZHNYJNMSH-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cccnc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222168251 1095475386 /nfs/dbraw/zinc/47/53/86/1095475386.db2.gz YRBLEZHNYJNMSH-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Oc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222172932 1095478509 /nfs/dbraw/zinc/47/85/09/1095478509.db2.gz OJACKNQFPYAQLF-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1F ZINC001222172932 1095478515 /nfs/dbraw/zinc/47/85/15/1095478515.db2.gz OJACKNQFPYAQLF-GOSISDBHSA-N 2 2 306.425 3.277 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277856 1095525231 /nfs/dbraw/zinc/52/52/31/1095525231.db2.gz UJDXOTOXAVFZRR-KRWDZBQOSA-N 2 2 305.491 3.078 20 0 DGADLP CSc1ncc(C)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277856 1095525242 /nfs/dbraw/zinc/52/52/42/1095525242.db2.gz UJDXOTOXAVFZRR-KRWDZBQOSA-N 2 2 305.491 3.078 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144187461 1095556329 /nfs/dbraw/zinc/55/63/29/1095556329.db2.gz IWXJYYUYBXPUGX-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144187461 1095556339 /nfs/dbraw/zinc/55/63/39/1095556339.db2.gz IWXJYYUYBXPUGX-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP FC(F)(F)c1cccc(CCC[NH+]2CC3(C2)CCC[NH2+]C3)c1 ZINC001222335440 1095557316 /nfs/dbraw/zinc/55/73/16/1095557316.db2.gz NUKLZRSFBRCNPM-UHFFFAOYSA-N 2 2 312.379 3.323 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N(C)C)Cn1cc[nH+]c1 ZINC001116453291 1095559394 /nfs/dbraw/zinc/55/93/94/1095559394.db2.gz YMSISXFKHYMYGY-ZDUSSCGKSA-N 2 2 306.841 3.028 20 0 DGADLP Brc1ccc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222345187 1095564480 /nfs/dbraw/zinc/56/44/80/1095564480.db2.gz IMFGNTFUNJQNAD-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222345187 1095564489 /nfs/dbraw/zinc/56/44/89/1095564489.db2.gz IMFGNTFUNJQNAD-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222344628 1095565007 /nfs/dbraw/zinc/56/50/07/1095565007.db2.gz AYNNIRLZPMIOPY-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222344628 1095565016 /nfs/dbraw/zinc/56/50/16/1095565016.db2.gz AYNNIRLZPMIOPY-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)ccn1 ZINC001222356349 1095571691 /nfs/dbraw/zinc/57/16/91/1095571691.db2.gz ZQSRIYNGIVLCPX-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)ccn1 ZINC001222356349 1095571698 /nfs/dbraw/zinc/57/16/98/1095571698.db2.gz ZQSRIYNGIVLCPX-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP C[C@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)n1cc[nH+]c1 ZINC001116583346 1095607449 /nfs/dbraw/zinc/60/74/49/1095607449.db2.gz RRHKXYDXJUSCCE-CQSZACIVSA-N 2 2 323.400 3.138 20 0 DGADLP CC[N@H+](Cc1c[nH]c2nc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001144414561 1095647976 /nfs/dbraw/zinc/64/79/76/1095647976.db2.gz LERWFGSVCOMJEM-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001144414561 1095647981 /nfs/dbraw/zinc/64/79/81/1095647981.db2.gz LERWFGSVCOMJEM-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144418622 1095651529 /nfs/dbraw/zinc/65/15/29/1095651529.db2.gz KEZCCGDRVFRISV-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144418622 1095651532 /nfs/dbraw/zinc/65/15/32/1095651532.db2.gz KEZCCGDRVFRISV-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(C)cc1Br ZINC001222623143 1095697726 /nfs/dbraw/zinc/69/77/26/1095697726.db2.gz BUMQHZVSRKCXGR-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(C)cc1Br ZINC001222623143 1095697730 /nfs/dbraw/zinc/69/77/30/1095697730.db2.gz BUMQHZVSRKCXGR-XJKSGUPXSA-N 2 2 323.278 3.250 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137684710 1095712827 /nfs/dbraw/zinc/71/28/27/1095712827.db2.gz ZQFYLXKIIBQQLL-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137684710 1095712836 /nfs/dbraw/zinc/71/28/36/1095712836.db2.gz ZQFYLXKIIBQQLL-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137684710 1095712847 /nfs/dbraw/zinc/71/28/47/1095712847.db2.gz ZQFYLXKIIBQQLL-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137684710 1095712857 /nfs/dbraw/zinc/71/28/57/1095712857.db2.gz ZQFYLXKIIBQQLL-DOTOQJQBSA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4ccc(Cl)cc34)C[C@@H]2C1 ZINC001137716233 1095722173 /nfs/dbraw/zinc/72/21/73/1095722173.db2.gz YXBZAHWLAALOGB-KBPBESRZSA-N 2 2 303.837 3.205 20 0 DGADLP CC(=O)Oc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001138046546 1095855099 /nfs/dbraw/zinc/85/50/99/1095855099.db2.gz PXTAHGAOWLNKEU-UHFFFAOYSA-N 2 2 316.445 3.062 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)c2)[nH+]c1C ZINC001340190859 1095901561 /nfs/dbraw/zinc/90/15/61/1095901561.db2.gz NHGVBRMHGZXAQN-HNNXBMFYSA-N 2 2 314.433 3.396 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429266 1096009785 /nfs/dbraw/zinc/00/97/85/1096009785.db2.gz CBCGYKPHZFQHMD-PXZKZTPFSA-N 2 2 321.415 3.069 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CC2(F)F)C1 ZINC001118429266 1096009795 /nfs/dbraw/zinc/00/97/95/1096009795.db2.gz CBCGYKPHZFQHMD-PXZKZTPFSA-N 2 2 321.415 3.069 20 0 DGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001119378275 1096182206 /nfs/dbraw/zinc/18/22/06/1096182206.db2.gz ZOTGSVYVBNNYSY-BMIGLBTASA-N 2 2 300.406 3.005 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171331979 1096367568 /nfs/dbraw/zinc/36/75/68/1096367568.db2.gz BOKFVZVYWMWTNW-INIZCTEOSA-N 2 2 308.416 3.144 20 0 DGADLP COc1cc(N2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cc[nH+]1 ZINC001277076036 1096541019 /nfs/dbraw/zinc/54/10/19/1096541019.db2.gz TTYSONZATMBIMC-UHFFFAOYSA-N 2 2 315.461 3.325 20 0 DGADLP COc1cc(N2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc[nH+]1 ZINC001277076036 1096541025 /nfs/dbraw/zinc/54/10/25/1096541025.db2.gz TTYSONZATMBIMC-UHFFFAOYSA-N 2 2 315.461 3.325 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171405097 1096676161 /nfs/dbraw/zinc/67/61/61/1096676161.db2.gz QFCHYOBKFMVGFJ-NVXWUHKLSA-N 2 2 304.453 3.393 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001171531377 1096907881 /nfs/dbraw/zinc/90/78/81/1096907881.db2.gz YFMMZTZLHFGDTN-LBPRGKRZSA-N 2 2 322.330 3.025 20 0 DGADLP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526884 1096918429 /nfs/dbraw/zinc/91/84/29/1096918429.db2.gz KONSWRTZKIVRTB-CQSZACIVSA-N 2 2 316.449 3.241 20 0 DGADLP CCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598764 1096932588 /nfs/dbraw/zinc/93/25/88/1096932588.db2.gz KOIMMRTUZDHLFO-LJQANCHMSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598764 1096932591 /nfs/dbraw/zinc/93/25/91/1096932591.db2.gz KOIMMRTUZDHLFO-LJQANCHMSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598764 1096932596 /nfs/dbraw/zinc/93/25/96/1096932596.db2.gz KOIMMRTUZDHLFO-LJQANCHMSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001171598764 1096932599 /nfs/dbraw/zinc/93/25/99/1096932599.db2.gz KOIMMRTUZDHLFO-LJQANCHMSA-N 2 2 304.478 3.398 20 0 DGADLP Fc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001171790241 1096978949 /nfs/dbraw/zinc/97/89/49/1096978949.db2.gz HBINUCRHUNKIPG-QGZVFWFLSA-N 2 2 302.437 3.243 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001171969449 1097018794 /nfs/dbraw/zinc/01/87/94/1097018794.db2.gz JYERUVVJMLLXSS-LBPRGKRZSA-N 2 2 311.351 3.202 20 0 DGADLP CO[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978568 1097026020 /nfs/dbraw/zinc/02/60/20/1097026020.db2.gz ZQCPOKMFRAJCDE-FGTMMUONSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978568 1097026026 /nfs/dbraw/zinc/02/60/26/1097026026.db2.gz ZQCPOKMFRAJCDE-FGTMMUONSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978568 1097026032 /nfs/dbraw/zinc/02/60/32/1097026032.db2.gz ZQCPOKMFRAJCDE-FGTMMUONSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978568 1097026039 /nfs/dbraw/zinc/02/60/39/1097026039.db2.gz ZQCPOKMFRAJCDE-FGTMMUONSA-N 2 2 320.452 3.098 20 0 DGADLP CC(=O)[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987578 1097029970 /nfs/dbraw/zinc/02/99/70/1097029970.db2.gz XWPNKVGCKSYOGN-OALUTQOASA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987578 1097029975 /nfs/dbraw/zinc/02/99/75/1097029975.db2.gz XWPNKVGCKSYOGN-OALUTQOASA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987578 1097029982 /nfs/dbraw/zinc/02/99/82/1097029982.db2.gz XWPNKVGCKSYOGN-OALUTQOASA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987578 1097029988 /nfs/dbraw/zinc/02/99/88/1097029988.db2.gz XWPNKVGCKSYOGN-OALUTQOASA-N 2 2 314.473 3.341 20 0 DGADLP CN1CCC([N@H+](C2CCCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130429 1097049107 /nfs/dbraw/zinc/04/91/07/1097049107.db2.gz IEEPTRDEZXOUGS-ACDBMABISA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([N@@H+](C2CCCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172130429 1097049114 /nfs/dbraw/zinc/04/91/14/1097049114.db2.gz IEEPTRDEZXOUGS-ACDBMABISA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([NH+](C2CCCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172130429 1097049121 /nfs/dbraw/zinc/04/91/21/1097049121.db2.gz IEEPTRDEZXOUGS-ACDBMABISA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([NH+](C2CCCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172130429 1097049127 /nfs/dbraw/zinc/04/91/27/1097049127.db2.gz IEEPTRDEZXOUGS-ACDBMABISA-N 2 2 319.537 3.341 20 0 DGADLP COc1cc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC001172106168 1097055296 /nfs/dbraw/zinc/05/52/96/1097055296.db2.gz NBYNHRZPKULLLK-CLLJXQQHSA-N 2 2 310.388 3.078 20 0 DGADLP COc1cc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC001172106168 1097055303 /nfs/dbraw/zinc/05/53/03/1097055303.db2.gz NBYNHRZPKULLLK-CLLJXQQHSA-N 2 2 310.388 3.078 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172113724 1097062564 /nfs/dbraw/zinc/06/25/64/1097062564.db2.gz JLXVDUQPIYTYMX-NNZMDNLPSA-N 3 2 307.526 3.102 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](CC(C)(C)C)CC1)C2 ZINC001172113724 1097062571 /nfs/dbraw/zinc/06/25/71/1097062571.db2.gz JLXVDUQPIYTYMX-NNZMDNLPSA-N 3 2 307.526 3.102 20 0 DGADLP C[N@H+]([C@H]1COC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172283248 1097103588 /nfs/dbraw/zinc/10/35/88/1097103588.db2.gz IZOMFCWLUWBGCG-GOSISDBHSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@@H+]([C@H]1COC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172283248 1097103590 /nfs/dbraw/zinc/10/35/90/1097103590.db2.gz IZOMFCWLUWBGCG-GOSISDBHSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172294469 1097108059 /nfs/dbraw/zinc/10/80/59/1097108059.db2.gz ZKDBCOXBGXVKLD-SFHVURJKSA-N 2 2 320.452 3.289 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172294469 1097108062 /nfs/dbraw/zinc/10/80/62/1097108062.db2.gz ZKDBCOXBGXVKLD-SFHVURJKSA-N 2 2 320.452 3.289 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001172372132 1097110848 /nfs/dbraw/zinc/11/08/48/1097110848.db2.gz CKMDMBPZJMLFOT-GRDNDAEWSA-N 2 2 302.466 3.040 20 0 DGADLP CC(C)COCC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172482444 1097151528 /nfs/dbraw/zinc/15/15/28/1097151528.db2.gz YWYBDADDAQIIHR-MRXNPFEDSA-N 2 2 305.466 3.091 20 0 DGADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539451 1097187066 /nfs/dbraw/zinc/18/70/66/1097187066.db2.gz HDEBFRYJNOPXTP-WOJBJXKFSA-N 3 2 317.521 3.315 20 0 DGADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539451 1097187070 /nfs/dbraw/zinc/18/70/70/1097187070.db2.gz HDEBFRYJNOPXTP-WOJBJXKFSA-N 3 2 317.521 3.315 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172922322 1097281861 /nfs/dbraw/zinc/28/18/61/1097281861.db2.gz HIGYRESSEZZWAM-SLFFLAALSA-N 2 2 316.489 3.241 20 0 DGADLP Cc1[nH+]cn(C2CCC3(CCOCC3)CC2)c1CSCC[NH3+] ZINC001173041925 1097310788 /nfs/dbraw/zinc/31/07/88/1097310788.db2.gz NWNBWCMHOFGLIE-UHFFFAOYSA-N 2 2 323.506 3.295 20 0 DGADLP c1ccc(OC2CCC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC001173198957 1097359408 /nfs/dbraw/zinc/35/94/08/1097359408.db2.gz MVHHJYQUMSNJDP-FDYSRKEFSA-N 2 2 314.473 3.451 20 0 DGADLP c1ccc(OC2CCC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC001173198957 1097359410 /nfs/dbraw/zinc/35/94/10/1097359410.db2.gz MVHHJYQUMSNJDP-FDYSRKEFSA-N 2 2 314.473 3.451 20 0 DGADLP CCSC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001173302049 1097403930 /nfs/dbraw/zinc/40/39/30/1097403930.db2.gz NUYMZYJWUYEJMR-CGTJXYLNSA-N 2 2 322.518 3.007 20 0 DGADLP CCSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001173302049 1097403932 /nfs/dbraw/zinc/40/39/32/1097403932.db2.gz NUYMZYJWUYEJMR-CGTJXYLNSA-N 2 2 322.518 3.007 20 0 DGADLP CC[C@H]1CC[C@H](N(c2cc[nH+]c(OC)c2)C2CC[NH2+]CC2)C1 ZINC001173285483 1097414353 /nfs/dbraw/zinc/41/43/53/1097414353.db2.gz WKVJCZMCUOWIPG-HOCLYGCPSA-N 2 2 303.450 3.227 20 0 DGADLP CC[C@H]1CC[C@@H](N(c2cc[nH+]c(OC)c2)C2CC[NH2+]CC2)C1 ZINC001173285482 1097414416 /nfs/dbraw/zinc/41/44/16/1097414416.db2.gz WKVJCZMCUOWIPG-GOEBONIOSA-N 2 2 303.450 3.227 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC001232184873 1097959699 /nfs/dbraw/zinc/95/96/99/1097959699.db2.gz ZOPNLTWQSKMWOD-UHFFFAOYSA-N 2 2 315.461 3.014 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccn2Cc2ccccc2)CC1 ZINC001232233886 1097977329 /nfs/dbraw/zinc/97/73/29/1097977329.db2.gz NUTJPPSPBOTQFD-UHFFFAOYSA-N 2 2 311.473 3.453 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccn2Cc2ccccc2)CC1 ZINC001232233886 1097977334 /nfs/dbraw/zinc/97/73/34/1097977334.db2.gz NUTJPPSPBOTQFD-UHFFFAOYSA-N 2 2 311.473 3.453 20 0 DGADLP COCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001232303522 1097998817 /nfs/dbraw/zinc/99/88/17/1097998817.db2.gz JGVJPXCZKHHGHQ-SFHVURJKSA-N 2 2 312.413 3.190 20 0 DGADLP COCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001232303522 1097998820 /nfs/dbraw/zinc/99/88/20/1097998820.db2.gz JGVJPXCZKHHGHQ-SFHVURJKSA-N 2 2 312.413 3.190 20 0 DGADLP CCOc1ncc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1C ZINC001232312049 1098001186 /nfs/dbraw/zinc/00/11/86/1098001186.db2.gz QELYUDJANINWJR-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CCOc1ncc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1C ZINC001232312049 1098001192 /nfs/dbraw/zinc/00/11/92/1098001192.db2.gz QELYUDJANINWJR-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CSc1cc(C)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001232351167 1098012126 /nfs/dbraw/zinc/01/21/26/1098012126.db2.gz GYAYGUSKONMGBO-UHFFFAOYSA-N 2 2 307.507 3.417 20 0 DGADLP CSc1cc(C)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001232351167 1098012132 /nfs/dbraw/zinc/01/21/32/1098012132.db2.gz GYAYGUSKONMGBO-UHFFFAOYSA-N 2 2 307.507 3.417 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3OC(C)C)C[C@@H]2C1 ZINC001232394412 1098026211 /nfs/dbraw/zinc/02/62/11/1098026211.db2.gz PCGJMXZJDASQFE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3OC(C)C)C[C@@H]2C1 ZINC001232394412 1098026216 /nfs/dbraw/zinc/02/62/16/1098026216.db2.gz PCGJMXZJDASQFE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C)c3OC(C)C)C[C@@H]2C1 ZINC001232394412 1098026221 /nfs/dbraw/zinc/02/62/21/1098026221.db2.gz PCGJMXZJDASQFE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C)c3OC(C)C)C[C@@H]2C1 ZINC001232394412 1098026229 /nfs/dbraw/zinc/02/62/29/1098026229.db2.gz PCGJMXZJDASQFE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc(F)c(C)c(F)c3)CC2)cc[nH+]1 ZINC001232426080 1098035430 /nfs/dbraw/zinc/03/54/30/1098035430.db2.gz LMCVIGJOIBGCIM-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP Cc1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001232485629 1098056142 /nfs/dbraw/zinc/05/61/42/1098056142.db2.gz DZZMEFOIMYQTKE-HNNXBMFYSA-N 2 2 300.377 3.491 20 0 DGADLP C[N@@H+]1CCc2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2C1 ZINC001175713440 1098140849 /nfs/dbraw/zinc/14/08/49/1098140849.db2.gz IBNYVNSQFZLXJX-UHFFFAOYSA-N 2 2 322.334 3.414 20 0 DGADLP C[N@H+]1CCc2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2C1 ZINC001175713440 1098140853 /nfs/dbraw/zinc/14/08/53/1098140853.db2.gz IBNYVNSQFZLXJX-UHFFFAOYSA-N 2 2 322.334 3.414 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(C)cc1OC ZINC001232835479 1098147640 /nfs/dbraw/zinc/14/76/40/1098147640.db2.gz MFTBXWDUTMWIKR-UHFFFAOYSA-N 2 2 308.466 3.176 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(C)cc1OC ZINC001232835479 1098147648 /nfs/dbraw/zinc/14/76/48/1098147648.db2.gz MFTBXWDUTMWIKR-UHFFFAOYSA-N 2 2 308.466 3.176 20 0 DGADLP Nc1ccc[nH+]c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175796550 1098160042 /nfs/dbraw/zinc/16/00/42/1098160042.db2.gz LEAQBWBMXSWWMN-UHFFFAOYSA-N 2 2 312.417 3.272 20 0 DGADLP CC[N@H+](Cc1cnc(OC)c2ccccc12)C1CC[NH+](C)CC1 ZINC001232950166 1098180742 /nfs/dbraw/zinc/18/07/42/1098180742.db2.gz WVUVZLSCTMQIIC-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[N@@H+](Cc1cnc(OC)c2ccccc12)C1CC[NH+](C)CC1 ZINC001232950166 1098180745 /nfs/dbraw/zinc/18/07/45/1098180745.db2.gz WVUVZLSCTMQIIC-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP C[C@@H](C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982612 1098218357 /nfs/dbraw/zinc/21/83/57/1098218357.db2.gz ILIKCXXVIFFRDI-WMZOPIPTSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982612 1098218366 /nfs/dbraw/zinc/21/83/66/1098218366.db2.gz ILIKCXXVIFFRDI-WMZOPIPTSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@@H](C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982612 1098218373 /nfs/dbraw/zinc/21/83/73/1098218373.db2.gz ILIKCXXVIFFRDI-WMZOPIPTSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@@H](C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982612 1098218379 /nfs/dbraw/zinc/21/83/79/1098218379.db2.gz ILIKCXXVIFFRDI-WMZOPIPTSA-N 2 2 306.494 3.093 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cnn3ccccc23)C2CCCC2)CC1 ZINC001233240223 1098261601 /nfs/dbraw/zinc/26/16/01/1098261601.db2.gz OBPZQOYUUMLZJD-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cnn3ccccc23)C2CCCC2)CC1 ZINC001233240223 1098261604 /nfs/dbraw/zinc/26/16/04/1098261604.db2.gz OBPZQOYUUMLZJD-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP c1cc2c(c(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c1)CCO2 ZINC001233274519 1098271916 /nfs/dbraw/zinc/27/19/16/1098271916.db2.gz TWWDTUCKBDJNSN-UHFFFAOYSA-N 2 2 310.397 3.060 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(Cl)cccc3SC)C[C@H]2C1 ZINC001233353478 1098300880 /nfs/dbraw/zinc/30/08/80/1098300880.db2.gz XJCTVTXGFHJULA-CHWSQXEVSA-N 2 2 310.894 3.445 20 0 DGADLP c1c[nH+]c(N2CCCC2)c(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001176749589 1098419422 /nfs/dbraw/zinc/41/94/22/1098419422.db2.gz HPUCEGAJNQYZFK-UHFFFAOYSA-N 2 2 309.417 3.421 20 0 DGADLP Cc1cc(Nc2ccc[nH+]c2N2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC001176749595 1098419572 /nfs/dbraw/zinc/41/95/72/1098419572.db2.gz HXEZNJQWDRFEDF-UHFFFAOYSA-N 2 2 320.400 3.315 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001177016126 1098463133 /nfs/dbraw/zinc/46/31/33/1098463133.db2.gz VTUXGLLERGZJQU-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001177016126 1098463135 /nfs/dbraw/zinc/46/31/35/1098463135.db2.gz VTUXGLLERGZJQU-UHFFFAOYSA-N 2 2 319.408 3.445 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H](F)C2)ccc1-n1cc[nH+]c1 ZINC001234034196 1098480676 /nfs/dbraw/zinc/48/06/76/1098480676.db2.gz ZGBNSQISOFVDDX-HNNXBMFYSA-N 2 2 303.381 3.205 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H](F)C2)ccc1-n1cc[nH+]c1 ZINC001234034196 1098480678 /nfs/dbraw/zinc/48/06/78/1098480678.db2.gz ZGBNSQISOFVDDX-HNNXBMFYSA-N 2 2 303.381 3.205 20 0 DGADLP COc1cc(C[N@H+](C)Cc2cccc(O)c2)ccc1-n1cc[nH+]c1 ZINC001234032962 1098480700 /nfs/dbraw/zinc/48/07/00/1098480700.db2.gz OLNNGKRROISAOZ-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP COc1cc(C[N@@H+](C)Cc2cccc(O)c2)ccc1-n1cc[nH+]c1 ZINC001234032962 1098480701 /nfs/dbraw/zinc/48/07/01/1098480701.db2.gz OLNNGKRROISAOZ-UHFFFAOYSA-N 2 2 323.396 3.219 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@](C)(CF)C2)ccc1-n1cc[nH+]c1 ZINC001234031909 1098480865 /nfs/dbraw/zinc/48/08/65/1098480865.db2.gz CYCMAFYGBUVJTB-KRWDZBQOSA-N 2 2 303.381 3.062 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@](C)(CF)C2)ccc1-n1cc[nH+]c1 ZINC001234031909 1098480870 /nfs/dbraw/zinc/48/08/70/1098480870.db2.gz CYCMAFYGBUVJTB-KRWDZBQOSA-N 2 2 303.381 3.062 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncs2)[C@H]1c1cccs1 ZINC001177918814 1098650196 /nfs/dbraw/zinc/65/01/96/1098650196.db2.gz DEEZVFNWRWXOFH-DOMZBBRYSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncs2)[C@H]1c1cccs1 ZINC001177918814 1098650202 /nfs/dbraw/zinc/65/02/02/1098650202.db2.gz DEEZVFNWRWXOFH-DOMZBBRYSA-N 2 2 307.488 3.377 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1OC(C)C ZINC001234727997 1098655952 /nfs/dbraw/zinc/65/59/52/1098655952.db2.gz YIGYRCGMMHPDMJ-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1OC(C)C ZINC001234727997 1098655961 /nfs/dbraw/zinc/65/59/61/1098655961.db2.gz YIGYRCGMMHPDMJ-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP CCCn1c(C[NH2+]CCCNc2cccc[nH+]2)nc2ccccc21 ZINC001177934168 1098660978 /nfs/dbraw/zinc/66/09/78/1098660978.db2.gz WTKJRZTTYMOWKO-UHFFFAOYSA-N 2 2 323.444 3.433 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001234979952 1098733457 /nfs/dbraw/zinc/73/34/57/1098733457.db2.gz UAWNCNZHJSPYKF-PHIMTYICSA-N 2 2 304.743 3.010 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001234979952 1098733466 /nfs/dbraw/zinc/73/34/66/1098733466.db2.gz UAWNCNZHJSPYKF-PHIMTYICSA-N 2 2 304.743 3.010 20 0 DGADLP c1ccc(Oc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234990701 1098735813 /nfs/dbraw/zinc/73/58/13/1098735813.db2.gz DGCCXLITVYKQJO-HXUWFJFHSA-N 2 2 323.440 3.449 20 0 DGADLP c1ccc(Oc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001234990701 1098735823 /nfs/dbraw/zinc/73/58/23/1098735823.db2.gz DGCCXLITVYKQJO-HXUWFJFHSA-N 2 2 323.440 3.449 20 0 DGADLP Brc1cccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234995716 1098738813 /nfs/dbraw/zinc/73/88/13/1098738813.db2.gz YXIDEZOGGXHXSM-MRXNPFEDSA-N 2 2 323.278 3.067 20 0 DGADLP Brc1cccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234995716 1098738821 /nfs/dbraw/zinc/73/88/21/1098738821.db2.gz YXIDEZOGGXHXSM-MRXNPFEDSA-N 2 2 323.278 3.067 20 0 DGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccccc1CCc1ccccc1 ZINC001235008158 1098748381 /nfs/dbraw/zinc/74/83/81/1098748381.db2.gz RGGQEDUPBIFYRG-UHFFFAOYSA-N 2 2 306.453 3.395 20 0 DGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1CCc1ccccc1 ZINC001235008158 1098748394 /nfs/dbraw/zinc/74/83/94/1098748394.db2.gz RGGQEDUPBIFYRG-UHFFFAOYSA-N 2 2 306.453 3.395 20 0 DGADLP c1ccc(CCc2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235007504 1098748740 /nfs/dbraw/zinc/74/87/40/1098748740.db2.gz VZYYECLASDOMDB-PZJWPPBQSA-N 2 2 306.453 3.266 20 0 DGADLP c1ccc(CCc2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235007504 1098748748 /nfs/dbraw/zinc/74/87/48/1098748748.db2.gz VZYYECLASDOMDB-PZJWPPBQSA-N 2 2 306.453 3.266 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235026927 1098756997 /nfs/dbraw/zinc/75/69/97/1098756997.db2.gz JMSMBMTXSWPULU-LBPRGKRZSA-N 2 2 320.234 3.477 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235026927 1098757003 /nfs/dbraw/zinc/75/70/03/1098757003.db2.gz JMSMBMTXSWPULU-LBPRGKRZSA-N 2 2 320.234 3.477 20 0 DGADLP Fc1ccc(Oc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235024502 1098758032 /nfs/dbraw/zinc/75/80/32/1098758032.db2.gz MTCYCAMDIHIEBX-UHFFFAOYSA-N 2 2 312.388 3.413 20 0 DGADLP Fc1ccc(Oc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235024502 1098758044 /nfs/dbraw/zinc/75/80/44/1098758044.db2.gz MTCYCAMDIHIEBX-UHFFFAOYSA-N 2 2 312.388 3.413 20 0 DGADLP CCOc1nccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037032 1098766297 /nfs/dbraw/zinc/76/62/97/1098766297.db2.gz CXNVTILJFGYNAJ-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1nccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037032 1098766305 /nfs/dbraw/zinc/76/63/05/1098766305.db2.gz CXNVTILJFGYNAJ-KRWDZBQOSA-N 2 2 323.868 3.242 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235043626 1098771632 /nfs/dbraw/zinc/77/16/32/1098771632.db2.gz GDBPXXFQWFQPFQ-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235043626 1098771637 /nfs/dbraw/zinc/77/16/37/1098771637.db2.gz GDBPXXFQWFQPFQ-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235044579 1098772682 /nfs/dbraw/zinc/77/26/82/1098772682.db2.gz IVVZGKNDOWTMNY-QGZVFWFLSA-N 2 2 322.836 3.177 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235044579 1098772689 /nfs/dbraw/zinc/77/26/89/1098772689.db2.gz IVVZGKNDOWTMNY-QGZVFWFLSA-N 2 2 322.836 3.177 20 0 DGADLP c1[nH]c2ccccc2c1CC[NH+]1CC2(C1)CCC[N@@H+](C1CC1)C2 ZINC001277923690 1098812583 /nfs/dbraw/zinc/81/25/83/1098812583.db2.gz HJLBQZAEUMPDSM-UHFFFAOYSA-N 2 2 309.457 3.271 20 0 DGADLP c1[nH]c2ccccc2c1CC[NH+]1CC2(C1)CCC[N@H+](C1CC1)C2 ZINC001277923690 1098812594 /nfs/dbraw/zinc/81/25/94/1098812594.db2.gz HJLBQZAEUMPDSM-UHFFFAOYSA-N 2 2 309.457 3.271 20 0 DGADLP Brc1ccc(CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235124359 1098823314 /nfs/dbraw/zinc/82/33/14/1098823314.db2.gz MYKBDHFCQFNUHW-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235124359 1098823325 /nfs/dbraw/zinc/82/33/25/1098823325.db2.gz MYKBDHFCQFNUHW-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235126079 1098826582 /nfs/dbraw/zinc/82/65/82/1098826582.db2.gz RVPDRYHEUAWEMB-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CC[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235126079 1098826589 /nfs/dbraw/zinc/82/65/89/1098826589.db2.gz RVPDRYHEUAWEMB-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001235151822 1098837982 /nfs/dbraw/zinc/83/79/82/1098837982.db2.gz BSJXMQHYDQVKQN-FQEVSTJZSA-N 3 2 324.472 3.226 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001235151822 1098837990 /nfs/dbraw/zinc/83/79/90/1098837990.db2.gz BSJXMQHYDQVKQN-FQEVSTJZSA-N 3 2 324.472 3.226 20 0 DGADLP CCc1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001178458112 1098838550 /nfs/dbraw/zinc/83/85/50/1098838550.db2.gz PVCZZXRALOSUCB-ZIAGYGMSSA-N 2 2 307.507 3.448 20 0 DGADLP CCc1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001178458112 1098838555 /nfs/dbraw/zinc/83/85/55/1098838555.db2.gz PVCZZXRALOSUCB-ZIAGYGMSSA-N 2 2 307.507 3.448 20 0 DGADLP COc1c(C)cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235167293 1098848465 /nfs/dbraw/zinc/84/84/65/1098848465.db2.gz HKZNDUCSNZPFKN-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP COc1c(C)cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235167293 1098848473 /nfs/dbraw/zinc/84/84/73/1098848473.db2.gz HKZNDUCSNZPFKN-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP Fc1ccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235174518 1098855274 /nfs/dbraw/zinc/85/52/74/1098855274.db2.gz TWPPDMFODOIHJL-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1ccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235174518 1098855280 /nfs/dbraw/zinc/85/52/80/1098855280.db2.gz TWPPDMFODOIHJL-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Oc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c2cccnc12 ZINC001235177452 1098858294 /nfs/dbraw/zinc/85/82/94/1098858294.db2.gz JGYITDIQOYNRAQ-LJQANCHMSA-N 2 2 311.429 3.049 20 0 DGADLP Oc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c2cccnc12 ZINC001235177452 1098858299 /nfs/dbraw/zinc/85/82/99/1098858299.db2.gz JGYITDIQOYNRAQ-LJQANCHMSA-N 2 2 311.429 3.049 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191698 1098866911 /nfs/dbraw/zinc/86/69/11/1098866911.db2.gz WAISBISLGFDARF-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235191698 1098866921 /nfs/dbraw/zinc/86/69/21/1098866921.db2.gz WAISBISLGFDARF-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192933 1098870083 /nfs/dbraw/zinc/87/00/83/1098870083.db2.gz IACNFKRCCFNEKN-IAGOWNOFSA-N 2 2 310.441 3.280 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192933 1098870092 /nfs/dbraw/zinc/87/00/92/1098870092.db2.gz IACNFKRCCFNEKN-IAGOWNOFSA-N 2 2 310.441 3.280 20 0 DGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc1-2 ZINC001235219692 1098890375 /nfs/dbraw/zinc/89/03/75/1098890375.db2.gz XMOZZMDJUABKBA-UTKZUKDTSA-N 2 2 304.437 3.442 20 0 DGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc1-2 ZINC001235219692 1098890388 /nfs/dbraw/zinc/89/03/88/1098890388.db2.gz XMOZZMDJUABKBA-UTKZUKDTSA-N 2 2 304.437 3.442 20 0 DGADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235229966 1098904748 /nfs/dbraw/zinc/90/47/48/1098904748.db2.gz HRXCDLMGLVSFDX-HOTGVXAUSA-N 2 2 312.379 3.394 20 0 DGADLP CC(C)c1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235229966 1098904757 /nfs/dbraw/zinc/90/47/57/1098904757.db2.gz HRXCDLMGLVSFDX-HOTGVXAUSA-N 2 2 312.379 3.394 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC001235253744 1098924714 /nfs/dbraw/zinc/92/47/14/1098924714.db2.gz FZHNSJCADMRREM-IFXJQAMLSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC001235253744 1098924723 /nfs/dbraw/zinc/92/47/23/1098924723.db2.gz FZHNSJCADMRREM-IFXJQAMLSA-N 2 2 314.379 3.426 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235252089 1098925194 /nfs/dbraw/zinc/92/51/94/1098925194.db2.gz MQPIXMJSJYXGAO-UHFFFAOYSA-N 2 2 324.403 3.333 20 0 DGADLP Clc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC001235259283 1098931054 /nfs/dbraw/zinc/93/10/54/1098931054.db2.gz UVNKFZDPMSMTFF-QAPCUYQASA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)nc1 ZINC001235259283 1098931064 /nfs/dbraw/zinc/93/10/64/1098931064.db2.gz UVNKFZDPMSMTFF-QAPCUYQASA-N 2 2 313.832 3.196 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235260972 1098933052 /nfs/dbraw/zinc/93/30/52/1098933052.db2.gz OMKOGDPBDZHIFV-PXNSSMCTSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235260972 1098933059 /nfs/dbraw/zinc/93/30/59/1098933059.db2.gz OMKOGDPBDZHIFV-PXNSSMCTSA-N 2 2 308.425 3.156 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc(C)c1Cl ZINC001235401782 1098997796 /nfs/dbraw/zinc/99/77/96/1098997796.db2.gz TURBQQVLYRPSEA-WBVHZDCISA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc(C)c1Cl ZINC001235401782 1098997803 /nfs/dbraw/zinc/99/78/03/1098997803.db2.gz TURBQQVLYRPSEA-WBVHZDCISA-N 2 2 310.844 3.480 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406243 1099004888 /nfs/dbraw/zinc/00/48/88/1099004888.db2.gz QLAUGCMWDKWKAJ-IAGOWNOFSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406243 1099004899 /nfs/dbraw/zinc/00/48/99/1099004899.db2.gz QLAUGCMWDKWKAJ-IAGOWNOFSA-N 2 2 321.827 3.345 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235407333 1099005145 /nfs/dbraw/zinc/00/51/45/1099005145.db2.gz RICXRUWZSULHJN-MJGOQNOKSA-N 2 2 320.452 3.387 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235407333 1099005156 /nfs/dbraw/zinc/00/51/56/1099005156.db2.gz RICXRUWZSULHJN-MJGOQNOKSA-N 2 2 320.452 3.387 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407670 1099005193 /nfs/dbraw/zinc/00/51/93/1099005193.db2.gz SRUJDOLHDNGHAH-GJZGRUSLSA-N 2 2 316.342 3.229 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001235407670 1099005204 /nfs/dbraw/zinc/00/52/04/1099005204.db2.gz SRUJDOLHDNGHAH-GJZGRUSLSA-N 2 2 316.342 3.229 20 0 DGADLP CC[C@@H]([NH3+])C[NH+]1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC001235675172 1099117802 /nfs/dbraw/zinc/11/78/02/1099117802.db2.gz PSPOIRJZTQWDFG-GFCCVEGCSA-N 2 2 316.367 3.286 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001235676723 1099120710 /nfs/dbraw/zinc/12/07/10/1099120710.db2.gz UYEQJZJLLQRCKQ-LLVKDONJSA-N 2 2 322.758 3.409 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001235676723 1099120713 /nfs/dbraw/zinc/12/07/13/1099120713.db2.gz UYEQJZJLLQRCKQ-LLVKDONJSA-N 2 2 322.758 3.409 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C[NH+](C)C ZINC001179559818 1099130386 /nfs/dbraw/zinc/13/03/86/1099130386.db2.gz WYSCNBPHEFCKIC-KRWDZBQOSA-N 2 2 318.486 3.471 20 0 DGADLP Oc1ccc(Oc2cccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235712346 1099142047 /nfs/dbraw/zinc/14/20/47/1099142047.db2.gz APRBNFLROVWREK-UHFFFAOYSA-N 2 2 324.424 3.370 20 0 DGADLP Oc1ccc(Oc2cccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235712346 1099142052 /nfs/dbraw/zinc/14/20/52/1099142052.db2.gz APRBNFLROVWREK-UHFFFAOYSA-N 2 2 324.424 3.370 20 0 DGADLP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)c(C)cc1Br ZINC001235751785 1099165645 /nfs/dbraw/zinc/16/56/45/1099165645.db2.gz BUHFCNBKSJCHRB-UHFFFAOYSA-N 2 2 311.267 3.379 20 0 DGADLP CCC[C@@H](O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699652 1099168535 /nfs/dbraw/zinc/16/85/35/1099168535.db2.gz FIBSSDROWBUUNN-QZTJIDSGSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@@H](O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179699652 1099168539 /nfs/dbraw/zinc/16/85/39/1099168539.db2.gz FIBSSDROWBUUNN-QZTJIDSGSA-N 2 2 304.478 3.180 20 0 DGADLP CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)C1CC[NH2+]CC1 ZINC001235760705 1099168815 /nfs/dbraw/zinc/16/88/15/1099168815.db2.gz INHHCDKRRJPQOY-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C1CC[NH2+]CC1 ZINC001235760705 1099168818 /nfs/dbraw/zinc/16/88/18/1099168818.db2.gz INHHCDKRRJPQOY-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705963 1099179624 /nfs/dbraw/zinc/17/96/24/1099179624.db2.gz QCDBTEWYISWBSR-IRXDYDNUSA-N 2 2 322.497 3.147 20 0 DGADLP COCCC[N@H+](Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC001235805885 1099187684 /nfs/dbraw/zinc/18/76/84/1099187684.db2.gz GWCRFJCZXORSSS-INIZCTEOSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC001235805885 1099187687 /nfs/dbraw/zinc/18/76/87/1099187687.db2.gz GWCRFJCZXORSSS-INIZCTEOSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@H+](Cc1c(C)[nH]c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001235806748 1099189051 /nfs/dbraw/zinc/18/90/51/1099189051.db2.gz LFERFPPEEVHFSS-INIZCTEOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c(C)[nH]c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001235806748 1099189054 /nfs/dbraw/zinc/18/90/54/1099189054.db2.gz LFERFPPEEVHFSS-INIZCTEOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@H+](Cc1c(C)[nH]c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001235806751 1099189195 /nfs/dbraw/zinc/18/91/95/1099189195.db2.gz LFERFPPEEVHFSS-MRXNPFEDSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c(C)[nH]c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001235806751 1099189198 /nfs/dbraw/zinc/18/91/98/1099189198.db2.gz LFERFPPEEVHFSS-MRXNPFEDSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@H+](Cc1ccc(CC(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808288 1099189331 /nfs/dbraw/zinc/18/93/31/1099189331.db2.gz ZSZIRCGSRIOZRA-FQEVSTJZSA-N 2 2 318.505 3.476 20 0 DGADLP COCCC[N@@H+](Cc1ccc(CC(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808288 1099189337 /nfs/dbraw/zinc/18/93/37/1099189337.db2.gz ZSZIRCGSRIOZRA-FQEVSTJZSA-N 2 2 318.505 3.476 20 0 DGADLP COCCC[N@H+](Cc1coc2ccc(F)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235808275 1099189740 /nfs/dbraw/zinc/18/97/40/1099189740.db2.gz ZPXRCAHWXKXWLB-MRXNPFEDSA-N 2 2 320.408 3.162 20 0 DGADLP COCCC[N@@H+](Cc1coc2ccc(F)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235808275 1099189747 /nfs/dbraw/zinc/18/97/47/1099189747.db2.gz ZPXRCAHWXKXWLB-MRXNPFEDSA-N 2 2 320.408 3.162 20 0 DGADLP COCCC[N@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235809672 1099191207 /nfs/dbraw/zinc/19/12/07/1099191207.db2.gz ZJPWVFSYTCTWPJ-QGZVFWFLSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235809672 1099191210 /nfs/dbraw/zinc/19/12/10/1099191210.db2.gz ZJPWVFSYTCTWPJ-QGZVFWFLSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@H+](Cc1cccc(Cl)c1C)[C@H]1CCC[NH2+]C1 ZINC001235812316 1099191223 /nfs/dbraw/zinc/19/12/23/1099191223.db2.gz ZCKWODUBQYBXIH-INIZCTEOSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1cccc(Cl)c1C)[C@H]1CCC[NH2+]C1 ZINC001235812316 1099191225 /nfs/dbraw/zinc/19/12/25/1099191225.db2.gz ZCKWODUBQYBXIH-INIZCTEOSA-N 2 2 310.869 3.239 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1Cl ZINC001179816534 1099212849 /nfs/dbraw/zinc/21/28/49/1099212849.db2.gz MEDNWOUQLBOJRV-FVQBIDKESA-N 2 2 324.900 3.075 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1Cl ZINC001179816534 1099212854 /nfs/dbraw/zinc/21/28/54/1099212854.db2.gz MEDNWOUQLBOJRV-FVQBIDKESA-N 2 2 324.900 3.075 20 0 DGADLP C[C@@H](C[N@H+](C1COC1)C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235928366 1099265093 /nfs/dbraw/zinc/26/50/93/1099265093.db2.gz UOWPZHUQAIAWAK-INIZCTEOSA-N 2 2 324.468 3.396 20 0 DGADLP C[C@@H](C[N@@H+](C1COC1)C1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001235928366 1099265095 /nfs/dbraw/zinc/26/50/95/1099265095.db2.gz UOWPZHUQAIAWAK-INIZCTEOSA-N 2 2 324.468 3.396 20 0 DGADLP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC001235949587 1099284162 /nfs/dbraw/zinc/28/41/62/1099284162.db2.gz CQZIIDWLIHETEM-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccc(C(F)(F)F)cc1 ZINC001235949587 1099284173 /nfs/dbraw/zinc/28/41/73/1099284173.db2.gz CQZIIDWLIHETEM-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989808 1099312715 /nfs/dbraw/zinc/31/27/15/1099312715.db2.gz DNUDLPCCIJEFDV-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989808 1099312728 /nfs/dbraw/zinc/31/27/28/1099312728.db2.gz DNUDLPCCIJEFDV-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235989299 1099313736 /nfs/dbraw/zinc/31/37/36/1099313736.db2.gz IZKFKHRFMOSTSP-FPOVZHCZSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235989299 1099313748 /nfs/dbraw/zinc/31/37/48/1099313748.db2.gz IZKFKHRFMOSTSP-FPOVZHCZSA-N 2 2 322.452 3.497 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)s2)cc1 ZINC001235997832 1099319108 /nfs/dbraw/zinc/31/91/08/1099319108.db2.gz WZQHKHUDTIANPD-KBXCAEBGSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)s2)cc1 ZINC001235997832 1099319122 /nfs/dbraw/zinc/31/91/22/1099319122.db2.gz WZQHKHUDTIANPD-KBXCAEBGSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997836 1099320688 /nfs/dbraw/zinc/32/06/88/1099320688.db2.gz ZPKSSZRKEVQTHU-XLIONFOSSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997836 1099320700 /nfs/dbraw/zinc/32/07/00/1099320700.db2.gz ZPKSSZRKEVQTHU-XLIONFOSSA-N 2 2 308.425 3.285 20 0 DGADLP CC[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@H]1CCC[NH2+]C1 ZINC001236011249 1099336636 /nfs/dbraw/zinc/33/66/36/1099336636.db2.gz WGAODHSGWPGHSQ-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@H]1CCC[NH2+]C1 ZINC001236011249 1099336650 /nfs/dbraw/zinc/33/66/50/1099336650.db2.gz WGAODHSGWPGHSQ-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236048326 1099350170 /nfs/dbraw/zinc/35/01/70/1099350170.db2.gz NQJUEEPUKXNSTD-GXFFZTMASA-N 2 2 302.340 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236048326 1099350183 /nfs/dbraw/zinc/35/01/83/1099350183.db2.gz NQJUEEPUKXNSTD-GXFFZTMASA-N 2 2 302.340 3.063 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c2c(OC)cccc12 ZINC001236052013 1099354248 /nfs/dbraw/zinc/35/42/48/1099354248.db2.gz ZHSRBVSRRVDILI-DZGCQCFKSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c2c(OC)cccc12 ZINC001236052013 1099354261 /nfs/dbraw/zinc/35/42/61/1099354261.db2.gz ZHSRBVSRRVDILI-DZGCQCFKSA-N 2 2 314.429 3.026 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001236073507 1099372408 /nfs/dbraw/zinc/37/24/08/1099372408.db2.gz TYIRZWRIKKQZJG-GXFFZTMASA-N 2 2 300.780 3.146 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001236073507 1099372421 /nfs/dbraw/zinc/37/24/21/1099372421.db2.gz TYIRZWRIKKQZJG-GXFFZTMASA-N 2 2 300.780 3.146 20 0 DGADLP CCC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[NH2+]1 ZINC001236179372 1099449530 /nfs/dbraw/zinc/44/95/30/1099449530.db2.gz RTKADABHOQNROP-HNNXBMFYSA-N 2 2 318.852 3.100 20 0 DGADLP C[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207069 1099463850 /nfs/dbraw/zinc/46/38/50/1099463850.db2.gz NXBCNSJOFAKBJF-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207069 1099463857 /nfs/dbraw/zinc/46/38/57/1099463857.db2.gz NXBCNSJOFAKBJF-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216113 1099472474 /nfs/dbraw/zinc/47/24/74/1099472474.db2.gz ZPYNKNRSYRQDMR-KGLIPLIRSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216113 1099472482 /nfs/dbraw/zinc/47/24/82/1099472482.db2.gz ZPYNKNRSYRQDMR-KGLIPLIRSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216115 1099472740 /nfs/dbraw/zinc/47/27/40/1099472740.db2.gz ZPYNKNRSYRQDMR-ZIAGYGMSSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216115 1099472748 /nfs/dbraw/zinc/47/27/48/1099472748.db2.gz ZPYNKNRSYRQDMR-ZIAGYGMSSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@H+](Cc1ccc(O)cc1C(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217335 1099473545 /nfs/dbraw/zinc/47/35/45/1099473545.db2.gz OBJZGTSVQJUNIP-KBPBESRZSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217335 1099473552 /nfs/dbraw/zinc/47/35/52/1099473552.db2.gz OBJZGTSVQJUNIP-KBPBESRZSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217710 1099473994 /nfs/dbraw/zinc/47/39/94/1099473994.db2.gz PVXZCCLOSQZRIR-KGLIPLIRSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217710 1099474001 /nfs/dbraw/zinc/47/40/01/1099474001.db2.gz PVXZCCLOSQZRIR-KGLIPLIRSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@H+](Cc1cccn1-c1ccccc1F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219630 1099477865 /nfs/dbraw/zinc/47/78/65/1099477865.db2.gz WZPWYJXHZBLENM-AEFFLSMTSA-N 2 2 301.409 3.318 20 0 DGADLP C[N@@H+](Cc1cccn1-c1ccccc1F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219630 1099477868 /nfs/dbraw/zinc/47/78/68/1099477868.db2.gz WZPWYJXHZBLENM-AEFFLSMTSA-N 2 2 301.409 3.318 20 0 DGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc3n2CC[NH2+]C3)cc1C ZINC001236243838 1099498456 /nfs/dbraw/zinc/49/84/56/1099498456.db2.gz GZJRTQRZNWYNAR-IBGZPJMESA-N 2 2 324.472 3.330 20 0 DGADLP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc3n2CC[NH2+]C3)cc1C ZINC001236243838 1099498463 /nfs/dbraw/zinc/49/84/63/1099498463.db2.gz GZJRTQRZNWYNAR-IBGZPJMESA-N 2 2 324.472 3.330 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@@H]1CC[NH2+]C1 ZINC001236323127 1099536107 /nfs/dbraw/zinc/53/61/07/1099536107.db2.gz FFLFHTNJFSCYQM-CQSZACIVSA-N 2 2 316.367 3.468 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1C)[C@@H]1CC[NH2+]C1 ZINC001236323127 1099536121 /nfs/dbraw/zinc/53/61/21/1099536121.db2.gz FFLFHTNJFSCYQM-CQSZACIVSA-N 2 2 316.367 3.468 20 0 DGADLP C[NH+](C)Cc1c(F)cc(-c2cccc3c2CC[NH2+]C3)cc1F ZINC001236362321 1099553650 /nfs/dbraw/zinc/55/36/50/1099553650.db2.gz XTYDEVDDBKKIMF-UHFFFAOYSA-N 2 2 302.368 3.339 20 0 DGADLP COC(C)(C)CC[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236396701 1099573605 /nfs/dbraw/zinc/57/36/05/1099573605.db2.gz ZUOIZNPICRICGD-KRWDZBQOSA-N 2 2 308.441 3.195 20 0 DGADLP COC(C)(C)CC[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236396701 1099573614 /nfs/dbraw/zinc/57/36/14/1099573614.db2.gz ZUOIZNPICRICGD-KRWDZBQOSA-N 2 2 308.441 3.195 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)c1F ZINC001236407020 1099579404 /nfs/dbraw/zinc/57/94/04/1099579404.db2.gz APEBFXDNPYWJSH-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)c1F ZINC001236407020 1099579414 /nfs/dbraw/zinc/57/94/14/1099579414.db2.gz APEBFXDNPYWJSH-GFCCVEGCSA-N 2 2 314.832 3.309 20 0 DGADLP CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236408449 1099581652 /nfs/dbraw/zinc/58/16/52/1099581652.db2.gz MOMGPNVVZHZKCN-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236408449 1099581664 /nfs/dbraw/zinc/58/16/64/1099581664.db2.gz MOMGPNVVZHZKCN-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@@H+](Cc1cccc(C(F)(F)F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410353 1099583388 /nfs/dbraw/zinc/58/33/88/1099583388.db2.gz ZCKRCXVPUGOINE-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1cccc(C(F)(F)F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410353 1099583396 /nfs/dbraw/zinc/58/33/96/1099583396.db2.gz ZCKRCXVPUGOINE-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@@H+](Cc1ccc(C)cc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236410381 1099583878 /nfs/dbraw/zinc/58/38/78/1099583878.db2.gz ZLWGJBWJWYPAHH-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1ccc(C)cc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236410381 1099583885 /nfs/dbraw/zinc/58/38/85/1099583885.db2.gz ZLWGJBWJWYPAHH-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[N@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412975 1099587737 /nfs/dbraw/zinc/58/77/37/1099587737.db2.gz MEQZEQSGWKJFFP-WOFXILAISA-N 2 2 305.636 3.296 20 0 DGADLP C[N@@H+](Cc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412975 1099587744 /nfs/dbraw/zinc/58/77/44/1099587744.db2.gz MEQZEQSGWKJFFP-WOFXILAISA-N 2 2 305.636 3.296 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236434273 1099610858 /nfs/dbraw/zinc/61/08/58/1099610858.db2.gz LHDWCYXIUDOTMP-GOSISDBHSA-N 2 2 302.368 3.365 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236434273 1099610860 /nfs/dbraw/zinc/61/08/60/1099610860.db2.gz LHDWCYXIUDOTMP-GOSISDBHSA-N 2 2 302.368 3.365 20 0 DGADLP CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC001236469060 1099628681 /nfs/dbraw/zinc/62/86/81/1099628681.db2.gz TWBKEQAEAAUPTO-QGZVFWFLSA-N 2 2 320.477 3.446 20 0 DGADLP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC001236469060 1099628686 /nfs/dbraw/zinc/62/86/86/1099628686.db2.gz TWBKEQAEAAUPTO-QGZVFWFLSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)[N@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470762 1099629744 /nfs/dbraw/zinc/62/97/44/1099629744.db2.gz OZTDLBGJMOFSLJ-QGZVFWFLSA-N 2 2 319.468 3.388 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470762 1099629748 /nfs/dbraw/zinc/62/97/48/1099629748.db2.gz OZTDLBGJMOFSLJ-QGZVFWFLSA-N 2 2 319.468 3.388 20 0 DGADLP CC(C)[N@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236471028 1099631886 /nfs/dbraw/zinc/63/18/86/1099631886.db2.gz NOYHVMWDZNMFTR-GOSISDBHSA-N 2 2 319.468 3.388 20 0 DGADLP CC(C)[N@@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236471028 1099631890 /nfs/dbraw/zinc/63/18/90/1099631890.db2.gz NOYHVMWDZNMFTR-GOSISDBHSA-N 2 2 319.468 3.388 20 0 DGADLP CC(C)C[N@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475808 1099633259 /nfs/dbraw/zinc/63/32/59/1099633259.db2.gz YXJYLFZVYJKTNY-OAHLLOKOSA-N 2 2 312.404 3.498 20 0 DGADLP CC(C)C[N@@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475808 1099633263 /nfs/dbraw/zinc/63/32/63/1099633263.db2.gz YXJYLFZVYJKTNY-OAHLLOKOSA-N 2 2 312.404 3.498 20 0 DGADLP CCc1nc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc(C)[nH+]1 ZINC001187931879 1099638851 /nfs/dbraw/zinc/63/88/51/1099638851.db2.gz QJJJPUYSXVDARA-OAHLLOKOSA-N 2 2 316.836 3.152 20 0 DGADLP CCOc1ccc(C)c(F)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001236538926 1099671487 /nfs/dbraw/zinc/67/14/87/1099671487.db2.gz UZCDEZZWGPJEHN-UHFFFAOYSA-N 2 2 315.392 3.004 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1Br ZINC001236605425 1099700564 /nfs/dbraw/zinc/70/05/64/1099700564.db2.gz SXMRJORMDQTTHD-HNNXBMFYSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C)c1Br ZINC001236605425 1099700572 /nfs/dbraw/zinc/70/05/72/1099700572.db2.gz SXMRJORMDQTTHD-HNNXBMFYSA-N 2 2 311.267 3.237 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236647294 1099719367 /nfs/dbraw/zinc/71/93/67/1099719367.db2.gz LPZORYCSOSGPRW-UHFFFAOYSA-N 2 2 324.415 3.470 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236647294 1099719376 /nfs/dbraw/zinc/71/93/76/1099719376.db2.gz LPZORYCSOSGPRW-UHFFFAOYSA-N 2 2 324.415 3.470 20 0 DGADLP CCCCc1[nH]c(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c[nH+]1 ZINC001236655533 1099726999 /nfs/dbraw/zinc/72/69/99/1099726999.db2.gz YAVISJDOIONSOX-KRWDZBQOSA-N 2 2 304.482 3.249 20 0 DGADLP CCCCc1[nH]cc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)[nH+]1 ZINC001236655533 1099727009 /nfs/dbraw/zinc/72/70/09/1099727009.db2.gz YAVISJDOIONSOX-KRWDZBQOSA-N 2 2 304.482 3.249 20 0 DGADLP CC[N@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C1CC[NH+](C)CC1 ZINC001236771370 1099775939 /nfs/dbraw/zinc/77/59/39/1099775939.db2.gz HEZMNAFUXVGTEY-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CC[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)C1CC[NH+](C)CC1 ZINC001236771370 1099775944 /nfs/dbraw/zinc/77/59/44/1099775944.db2.gz HEZMNAFUXVGTEY-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC001236771677 1099776461 /nfs/dbraw/zinc/77/64/61/1099776461.db2.gz KIUAEUCMTWKKJT-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC001236771677 1099776462 /nfs/dbraw/zinc/77/64/62/1099776462.db2.gz KIUAEUCMTWKKJT-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP Clc1nc2ccsc2cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001236864849 1099840729 /nfs/dbraw/zinc/84/07/29/1099840729.db2.gz RINYTJQCDSGIEJ-UHFFFAOYSA-N 2 2 318.833 3.205 20 0 DGADLP Clc1nc2ccsc2cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001236864849 1099840736 /nfs/dbraw/zinc/84/07/36/1099840736.db2.gz RINYTJQCDSGIEJ-UHFFFAOYSA-N 2 2 318.833 3.205 20 0 DGADLP C[NH+](C)[C@H]1CCCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236903913 1099864400 /nfs/dbraw/zinc/86/44/00/1099864400.db2.gz JVWFKBAQODDYBA-HNNXBMFYSA-N 2 2 318.852 3.052 20 0 DGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C(C)C ZINC001236902632 1099866261 /nfs/dbraw/zinc/86/62/61/1099866261.db2.gz DHSDUSRQYXZVPW-UHFFFAOYSA-N 2 2 307.825 3.383 20 0 DGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C(C)C ZINC001236902632 1099866267 /nfs/dbraw/zinc/86/62/67/1099866267.db2.gz DHSDUSRQYXZVPW-UHFFFAOYSA-N 2 2 307.825 3.383 20 0 DGADLP CC[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H](C)C1 ZINC001236908393 1099870069 /nfs/dbraw/zinc/87/00/69/1099870069.db2.gz HQJLRINEIMVXEU-CQSZACIVSA-N 2 2 318.852 3.052 20 0 DGADLP CC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H](C)C1 ZINC001236908393 1099870076 /nfs/dbraw/zinc/87/00/76/1099870076.db2.gz HQJLRINEIMVXEU-CQSZACIVSA-N 2 2 318.852 3.052 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C1CCOCC1 ZINC001236914399 1099873112 /nfs/dbraw/zinc/87/31/12/1099873112.db2.gz VSLUBCCSICAZCO-UHFFFAOYSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H]1CO ZINC001236912585 1099873605 /nfs/dbraw/zinc/87/36/05/1099873605.db2.gz AETWWEWIFKPUIQ-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)[C@@H]1CO ZINC001236912585 1099873611 /nfs/dbraw/zinc/87/36/11/1099873611.db2.gz AETWWEWIFKPUIQ-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236914004 1099874758 /nfs/dbraw/zinc/87/47/58/1099874758.db2.gz KJEZZZJFDDAPME-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236914004 1099874768 /nfs/dbraw/zinc/87/47/68/1099874768.db2.gz KJEZZZJFDDAPME-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001236916331 1099876725 /nfs/dbraw/zinc/87/67/25/1099876725.db2.gz KGKJCGZXCAQSFA-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001236916331 1099876733 /nfs/dbraw/zinc/87/67/33/1099876733.db2.gz KGKJCGZXCAQSFA-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H](C)[N@H+]1C ZINC001236915819 1099878057 /nfs/dbraw/zinc/87/80/57/1099878057.db2.gz FGKMRVLEOSNOQJ-OKILXGFUSA-N 2 2 318.852 3.050 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H](C)[N@@H+]1C ZINC001236915819 1099878059 /nfs/dbraw/zinc/87/80/59/1099878059.db2.gz FGKMRVLEOSNOQJ-OKILXGFUSA-N 2 2 318.852 3.050 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3OC(C)(C)C)C[C@H]2C1 ZINC001237027304 1099931425 /nfs/dbraw/zinc/93/14/25/1099931425.db2.gz HMORHSADBGLDQS-IAGOWNOFSA-N 2 2 302.462 3.247 20 0 DGADLP CC[N@H+](Cc1ccnc2c(OC)cccc12)C1CC[NH+](C)CC1 ZINC001237108558 1099975138 /nfs/dbraw/zinc/97/51/38/1099975138.db2.gz HTCHAXJELXZTLR-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[N@@H+](Cc1ccnc2c(OC)cccc12)C1CC[NH+](C)CC1 ZINC001237108558 1099975149 /nfs/dbraw/zinc/97/51/49/1099975149.db2.gz HTCHAXJELXZTLR-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP COc1cccc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c21 ZINC001237154571 1100004110 /nfs/dbraw/zinc/00/41/10/1100004110.db2.gz DPBCOANLKDGEAD-INIZCTEOSA-N 2 2 313.445 3.283 20 0 DGADLP COc1cccc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c21 ZINC001237154571 1100004115 /nfs/dbraw/zinc/00/41/15/1100004115.db2.gz DPBCOANLKDGEAD-INIZCTEOSA-N 2 2 313.445 3.283 20 0 DGADLP Clc1ccnc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c21 ZINC001237156013 1100005878 /nfs/dbraw/zinc/00/58/78/1100005878.db2.gz MLCWACCTMUJQKD-AWEZNQCLSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1ccnc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c21 ZINC001237156013 1100005888 /nfs/dbraw/zinc/00/58/88/1100005888.db2.gz MLCWACCTMUJQKD-AWEZNQCLSA-N 2 2 318.852 3.323 20 0 DGADLP COc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237277232 1100056211 /nfs/dbraw/zinc/05/62/11/1100056211.db2.gz XTGPKHPYJMGGBT-UHFFFAOYSA-N 2 2 322.452 3.332 20 0 DGADLP c1ccc2c(c1)C[N@@H+](Cc1cccc3c1CCN3)C21CC[NH2+]CC1 ZINC001237309882 1100072039 /nfs/dbraw/zinc/07/20/39/1100072039.db2.gz BLUFCTDJMAYQCD-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP c1ccc2c(c1)C[N@H+](Cc1cccc3c1CCN3)C21CC[NH2+]CC1 ZINC001237309882 1100072046 /nfs/dbraw/zinc/07/20/46/1100072046.db2.gz BLUFCTDJMAYQCD-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP c1ccc2c(c1)C[NH2+]C21CC[NH+](Cc2ccc3c(c2)CCN3)CC1 ZINC001237363685 1100095065 /nfs/dbraw/zinc/09/50/65/1100095065.db2.gz KMKFBZWHJPSRNY-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382698 1100100953 /nfs/dbraw/zinc/10/09/53/1100100953.db2.gz MSSPAHMBTIFSOB-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382698 1100100955 /nfs/dbraw/zinc/10/09/55/1100100955.db2.gz MSSPAHMBTIFSOB-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP COCC[N@H+](Cc1cccc(C(C)C)c1)C1CC[NH+](C)CC1 ZINC001237457875 1100129368 /nfs/dbraw/zinc/12/93/68/1100129368.db2.gz GIRBGHKQNOXGNG-UHFFFAOYSA-N 2 2 304.478 3.353 20 0 DGADLP COCC[N@@H+](Cc1cccc(C(C)C)c1)C1CC[NH+](C)CC1 ZINC001237457875 1100129375 /nfs/dbraw/zinc/12/93/75/1100129375.db2.gz GIRBGHKQNOXGNG-UHFFFAOYSA-N 2 2 304.478 3.353 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)n1 ZINC001237553449 1100170678 /nfs/dbraw/zinc/17/06/78/1100170678.db2.gz ZLZQZEXIAVVLTE-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccccc2)n1 ZINC001237553449 1100170680 /nfs/dbraw/zinc/17/06/80/1100170680.db2.gz ZLZQZEXIAVVLTE-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)Cc3cnccn3)cc21 ZINC001237888009 1100283013 /nfs/dbraw/zinc/28/30/13/1100283013.db2.gz YFZMGYLODKBWBQ-UHFFFAOYSA-N 2 2 308.429 3.110 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)Cc3cnccn3)cc21 ZINC001237888009 1100283018 /nfs/dbraw/zinc/28/30/18/1100283018.db2.gz YFZMGYLODKBWBQ-UHFFFAOYSA-N 2 2 308.429 3.110 20 0 DGADLP Cc1ccc(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c(C)c1 ZINC001238117903 1100367963 /nfs/dbraw/zinc/36/79/63/1100367963.db2.gz FGUWBRGCEKQNFE-UHFFFAOYSA-N 2 2 320.440 3.273 20 0 DGADLP Cc1cccc(C)c1N1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238116269 1100368412 /nfs/dbraw/zinc/36/84/12/1100368412.db2.gz QSNXIBMJAIYSPI-UHFFFAOYSA-N 2 2 320.440 3.273 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1OC ZINC001238470266 1100452618 /nfs/dbraw/zinc/45/26/18/1100452618.db2.gz QWELBYHBTVAPHT-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1OC ZINC001238470266 1100452620 /nfs/dbraw/zinc/45/26/20/1100452620.db2.gz QWELBYHBTVAPHT-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449968 1100459980 /nfs/dbraw/zinc/45/99/80/1100459980.db2.gz KSUNURCLAVULDJ-GUYCJALGSA-N 2 2 317.477 3.199 20 0 DGADLP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449968 1100459983 /nfs/dbraw/zinc/45/99/83/1100459983.db2.gz KSUNURCLAVULDJ-GUYCJALGSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cnc1OC(C)C ZINC001278270801 1100509667 /nfs/dbraw/zinc/50/96/67/1100509667.db2.gz MPKVACBEDMNQJS-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cnc1OC(C)C ZINC001278270801 1100509674 /nfs/dbraw/zinc/50/96/74/1100509674.db2.gz MPKVACBEDMNQJS-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cnc1OC(C)C ZINC001278270801 1100509679 /nfs/dbraw/zinc/50/96/79/1100509679.db2.gz MPKVACBEDMNQJS-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cnc1OC(C)C ZINC001278270801 1100509684 /nfs/dbraw/zinc/50/96/84/1100509684.db2.gz MPKVACBEDMNQJS-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205601676 1100626061 /nfs/dbraw/zinc/62/60/61/1100626061.db2.gz FYWBIEXWOSKIBD-RKDXNWHRSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205601676 1100626063 /nfs/dbraw/zinc/62/60/63/1100626063.db2.gz FYWBIEXWOSKIBD-RKDXNWHRSA-N 2 2 322.321 3.189 20 0 DGADLP CC(=O)Nc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000079000530 1100755886 /nfs/dbraw/zinc/75/58/86/1100755886.db2.gz HVVCQWTYMQDNFF-QGZVFWFLSA-N 2 2 314.433 3.046 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001240119106 1100871291 /nfs/dbraw/zinc/87/12/91/1100871291.db2.gz FLBWTMMJEWFOBN-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001240119106 1100871295 /nfs/dbraw/zinc/87/12/95/1100871295.db2.gz FLBWTMMJEWFOBN-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001240218563 1100900015 /nfs/dbraw/zinc/90/00/15/1100900015.db2.gz FFVOLHDYFIRADH-UHFFFAOYSA-N 3 2 320.440 3.172 20 0 DGADLP CC(C)(O)c1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001240409635 1100983294 /nfs/dbraw/zinc/98/32/94/1100983294.db2.gz GROYOVNNKOQNJR-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001240409635 1100983301 /nfs/dbraw/zinc/98/33/01/1100983301.db2.gz GROYOVNNKOQNJR-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)CCn1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001240420737 1100989867 /nfs/dbraw/zinc/98/98/67/1100989867.db2.gz CKQAHDNZTZVFOK-LJQANCHMSA-N 2 2 312.461 3.129 20 0 DGADLP CC(C)CCn1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001240420737 1100989874 /nfs/dbraw/zinc/98/98/74/1100989874.db2.gz CKQAHDNZTZVFOK-LJQANCHMSA-N 2 2 312.461 3.129 20 0 DGADLP c1cn2ccc(-c3ccc([C@@]45CC[NH2+][C@H]4COCC5)cc3)cc2[nH+]1 ZINC001240508906 1101027879 /nfs/dbraw/zinc/02/78/79/1101027879.db2.gz OXKUNODTLKWDJM-ICSRJNTNSA-N 2 2 319.408 3.021 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(-c3cc[nH]n3)c2)C1 ZINC001240563729 1101050874 /nfs/dbraw/zinc/05/08/74/1101050874.db2.gz NRJGHNRHLSVRHO-SFHVURJKSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(-c3cc[nH]n3)c2)C1 ZINC001240563729 1101050882 /nfs/dbraw/zinc/05/08/82/1101050882.db2.gz NRJGHNRHLSVRHO-SFHVURJKSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3cccnc32)C1 ZINC001240895922 1101172872 /nfs/dbraw/zinc/17/28/72/1101172872.db2.gz LNNXONYFBCUWCJ-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3cccnc32)C1 ZINC001240895922 1101172874 /nfs/dbraw/zinc/17/28/74/1101172874.db2.gz LNNXONYFBCUWCJ-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP Fc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)c1F ZINC001240989707 1101211287 /nfs/dbraw/zinc/21/12/87/1101211287.db2.gz ORPQFHWYZNAZSI-UHFFFAOYSA-N 2 2 303.287 3.105 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c(F)c3F)cc2)C1 ZINC001240993237 1101212838 /nfs/dbraw/zinc/21/28/38/1101212838.db2.gz YKRITABWZQOEGD-ZDUSSCGKSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c(F)c3F)cc2)C1 ZINC001240993237 1101212842 /nfs/dbraw/zinc/21/28/42/1101212842.db2.gz YKRITABWZQOEGD-ZDUSSCGKSA-N 2 2 306.331 3.304 20 0 DGADLP CCOc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241028203 1101225969 /nfs/dbraw/zinc/22/59/69/1101225969.db2.gz NKXWYTYMIRVJSO-GOSISDBHSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241028203 1101225976 /nfs/dbraw/zinc/22/59/76/1101225976.db2.gz NKXWYTYMIRVJSO-GOSISDBHSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(F)cc(F)c3F)cc2)C1 ZINC001241094310 1101251615 /nfs/dbraw/zinc/25/16/15/1101251615.db2.gz GHFRBQICYUFSIT-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(F)cc(F)c3F)cc2)C1 ZINC001241094310 1101251619 /nfs/dbraw/zinc/25/16/19/1101251619.db2.gz GHFRBQICYUFSIT-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP CCOc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241104653 1101255654 /nfs/dbraw/zinc/25/56/54/1101255654.db2.gz MQJUGUHLIHXIKS-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241104653 1101255659 /nfs/dbraw/zinc/25/56/59/1101255659.db2.gz MQJUGUHLIHXIKS-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001241250513 1101321507 /nfs/dbraw/zinc/32/15/07/1101321507.db2.gz MMEFWEBLNMUIMO-UHFFFAOYSA-N 3 2 324.472 3.046 20 0 DGADLP CC(C)Oc1cncc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001278332548 1101573692 /nfs/dbraw/zinc/57/36/92/1101573692.db2.gz QEQXUOYDLDQKPO-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cncc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001278332548 1101573698 /nfs/dbraw/zinc/57/36/98/1101573698.db2.gz QEQXUOYDLDQKPO-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cncc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001278332548 1101573705 /nfs/dbraw/zinc/57/37/05/1101573705.db2.gz QEQXUOYDLDQKPO-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cncc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001278332548 1101573715 /nfs/dbraw/zinc/57/37/15/1101573715.db2.gz QEQXUOYDLDQKPO-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP c1nn(C2CCCCC2)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241840561 1101742115 /nfs/dbraw/zinc/74/21/15/1101742115.db2.gz DEJDLNZIMVFAOB-UHFFFAOYSA-N 2 2 321.428 3.390 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCC4=O)cc2)C1 ZINC001242158100 1101948394 /nfs/dbraw/zinc/94/83/94/1101948394.db2.gz XWAXMHOSQQTLFZ-SFHVURJKSA-N 2 2 306.409 3.016 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCC4=O)cc2)C1 ZINC001242158100 1101948412 /nfs/dbraw/zinc/94/84/12/1101948412.db2.gz XWAXMHOSQQTLFZ-SFHVURJKSA-N 2 2 306.409 3.016 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC001198767463 1101981861 /nfs/dbraw/zinc/98/18/61/1101981861.db2.gz CJHVDACUJZKDBW-ZDUSSCGKSA-N 2 2 302.249 3.183 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001199085166 1102060831 /nfs/dbraw/zinc/06/08/31/1102060831.db2.gz JHOQYCLITPPOHR-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001199085166 1102060844 /nfs/dbraw/zinc/06/08/44/1102060844.db2.gz JHOQYCLITPPOHR-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4ccncc43)c2)C1 ZINC001242372000 1102087021 /nfs/dbraw/zinc/08/70/21/1102087021.db2.gz CHRIXGPKSGIQBX-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4ccncc43)c2)C1 ZINC001242372000 1102087034 /nfs/dbraw/zinc/08/70/34/1102087034.db2.gz CHRIXGPKSGIQBX-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1[nH+]cn(-c2ccc(C3=CC[C@H]([NH+]4CCCC4)CC3)nn2)c1C ZINC001242690297 1102285646 /nfs/dbraw/zinc/28/56/46/1102285646.db2.gz AZFPOJYDXSCYQD-KRWDZBQOSA-N 2 2 323.444 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(O)c3Cl)cc2)C1 ZINC001242802296 1102352375 /nfs/dbraw/zinc/35/23/75/1102352375.db2.gz VVJJFJHMTMGBMK-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(O)c3Cl)cc2)C1 ZINC001242802296 1102352380 /nfs/dbraw/zinc/35/23/80/1102352380.db2.gz VVJJFJHMTMGBMK-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cscc1Br ZINC001205904408 1102449616 /nfs/dbraw/zinc/44/96/16/1102449616.db2.gz UWFFFUKFXBFDSG-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cscc1Br ZINC001205904408 1102449622 /nfs/dbraw/zinc/44/96/22/1102449622.db2.gz UWFFFUKFXBFDSG-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(CO[C@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC001243069855 1102508416 /nfs/dbraw/zinc/50/84/16/1102508416.db2.gz BKDYPHDSIQNFHZ-RDJZCZTQSA-N 2 2 303.381 3.013 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205914199 1102532902 /nfs/dbraw/zinc/53/29/02/1102532902.db2.gz LLFOAOVCROSKKP-AAEUAGOBSA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Cl ZINC001205914199 1102532910 /nfs/dbraw/zinc/53/29/10/1102532910.db2.gz LLFOAOVCROSKKP-AAEUAGOBSA-N 2 2 314.832 3.437 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3C2)ccn1 ZINC001201393472 1102566517 /nfs/dbraw/zinc/56/65/17/1102566517.db2.gz KQQLYRMHLFLNJD-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]3C2)ccn1 ZINC001201393472 1102566526 /nfs/dbraw/zinc/56/65/26/1102566526.db2.gz KQQLYRMHLFLNJD-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCCCC4)C[C@@H]3C2)ccn1 ZINC001201393472 1102566536 /nfs/dbraw/zinc/56/65/36/1102566536.db2.gz KQQLYRMHLFLNJD-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCCCC4)C[C@@H]3C2)ccn1 ZINC001201393472 1102566543 /nfs/dbraw/zinc/56/65/43/1102566543.db2.gz KQQLYRMHLFLNJD-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP Cn1c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc2ccccc21 ZINC001243354985 1102678969 /nfs/dbraw/zinc/67/89/69/1102678969.db2.gz YHJZMCHIOKBNEV-SFHVURJKSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc2ccccc21 ZINC001243354985 1102678974 /nfs/dbraw/zinc/67/89/74/1102678974.db2.gz YHJZMCHIOKBNEV-SFHVURJKSA-N 2 2 305.425 3.378 20 0 DGADLP c1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001201654702 1102687787 /nfs/dbraw/zinc/68/77/87/1102687787.db2.gz IOXSCWAGPZDSHX-OYRHEFFESA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001201654702 1102687790 /nfs/dbraw/zinc/68/77/90/1102687790.db2.gz IOXSCWAGPZDSHX-OYRHEFFESA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001201654702 1102687799 /nfs/dbraw/zinc/68/77/99/1102687799.db2.gz IOXSCWAGPZDSHX-OYRHEFFESA-N 2 2 321.468 3.078 20 0 DGADLP c1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001201654702 1102687803 /nfs/dbraw/zinc/68/78/03/1102687803.db2.gz IOXSCWAGPZDSHX-OYRHEFFESA-N 2 2 321.468 3.078 20 0 DGADLP CCOc1c(F)cccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243535381 1102786261 /nfs/dbraw/zinc/78/62/61/1102786261.db2.gz TVGDFFJXYYNDOA-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c(O)c3)cc2)C1 ZINC001243583589 1102825109 /nfs/dbraw/zinc/82/51/09/1102825109.db2.gz JECUIXXFQBSPBB-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)c(O)c3)cc2)C1 ZINC001243583589 1102825129 /nfs/dbraw/zinc/82/51/29/1102825129.db2.gz JECUIXXFQBSPBB-OAHLLOKOSA-N 2 2 302.805 3.246 20 0 DGADLP Cc1cc(-c2cccc(N3CC[NH+](C)CC3)c2)cn2cc[nH+]c12 ZINC001243670187 1102904148 /nfs/dbraw/zinc/90/41/48/1102904148.db2.gz DYQVDPHMLATAPF-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202319930 1102941060 /nfs/dbraw/zinc/94/10/60/1102941060.db2.gz WSHDIINWLMMUFH-IYBDPMFKSA-N 2 2 312.379 3.311 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202319930 1102941070 /nfs/dbraw/zinc/94/10/70/1102941070.db2.gz WSHDIINWLMMUFH-IYBDPMFKSA-N 2 2 312.379 3.311 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202319930 1102941079 /nfs/dbraw/zinc/94/10/79/1102941079.db2.gz WSHDIINWLMMUFH-IYBDPMFKSA-N 2 2 312.379 3.311 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC(F)(F)F)C[C@H]3C2)cc1 ZINC001202319930 1102941092 /nfs/dbraw/zinc/94/10/92/1102941092.db2.gz WSHDIINWLMMUFH-IYBDPMFKSA-N 2 2 312.379 3.311 20 0 DGADLP c1cc(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001243901047 1103040957 /nfs/dbraw/zinc/04/09/57/1103040957.db2.gz KIVHTCUDEQSLCC-LJQANCHMSA-N 2 2 323.440 3.052 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001325657789 1103096143 /nfs/dbraw/zinc/09/61/43/1103096143.db2.gz DGMBBRFWDUJECJ-ZIAGYGMSSA-N 2 2 307.507 3.088 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001325657789 1103096158 /nfs/dbraw/zinc/09/61/58/1103096158.db2.gz DGMBBRFWDUJECJ-ZIAGYGMSSA-N 2 2 307.507 3.088 20 0 DGADLP c1c[nH+]c(-c2ccc(-c3ccc(O[C@@H]4CC[NH2+]C4)cc3)cc2)[nH]1 ZINC001243978087 1103102383 /nfs/dbraw/zinc/10/23/83/1103102383.db2.gz HNHWKYCOAFLHLC-GOSISDBHSA-N 2 2 305.381 3.484 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244026484 1103147287 /nfs/dbraw/zinc/14/72/87/1103147287.db2.gz YFBDOCPKWKNJFM-QGZVFWFLSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244026484 1103147296 /nfs/dbraw/zinc/14/72/96/1103147296.db2.gz YFBDOCPKWKNJFM-QGZVFWFLSA-N 2 2 324.424 3.063 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC001326035633 1103188096 /nfs/dbraw/zinc/18/80/96/1103188096.db2.gz LBPHRGDILCWNKK-UWVGGRQHSA-N 2 2 303.219 3.237 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3N3CCCC3)cc2)C1 ZINC001244183519 1103264434 /nfs/dbraw/zinc/26/44/34/1103264434.db2.gz RMRMGAMHJTXUJU-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3N3CCCC3)cc2)C1 ZINC001244183519 1103264446 /nfs/dbraw/zinc/26/44/46/1103264446.db2.gz RMRMGAMHJTXUJU-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP Cc1nn(C)c2cc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)ccc12 ZINC001244232200 1103297370 /nfs/dbraw/zinc/29/73/70/1103297370.db2.gz FRHZBUHJIMBCLN-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2cc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)ccc12 ZINC001244232200 1103297382 /nfs/dbraw/zinc/29/73/82/1103297382.db2.gz FRHZBUHJIMBCLN-GOSISDBHSA-N 2 2 320.440 3.082 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3[nH]c(=O)ccc32)C1 ZINC001244320537 1103358996 /nfs/dbraw/zinc/35/89/96/1103358996.db2.gz SGHGKMDYUYIWDP-HNNXBMFYSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3[nH]c(=O)ccc32)C1 ZINC001244320537 1103359011 /nfs/dbraw/zinc/35/90/11/1103359011.db2.gz SGHGKMDYUYIWDP-HNNXBMFYSA-N 2 2 319.408 3.140 20 0 DGADLP C[NH+](C)Cc1c(F)cc(-c2cccc(OCC[NH3+])c2)cc1F ZINC001244326334 1103363660 /nfs/dbraw/zinc/36/36/60/1103363660.db2.gz JBDXCYFDJDPXBF-UHFFFAOYSA-N 2 2 306.356 3.031 20 0 DGADLP CCOc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1C ZINC001244441158 1103439175 /nfs/dbraw/zinc/43/91/75/1103439175.db2.gz SYBNIDPQNQJULJ-UHFFFAOYSA-N 2 2 307.397 3.395 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3CO)cc2)C1 ZINC001244576743 1103535365 /nfs/dbraw/zinc/53/53/65/1103535365.db2.gz SIRGEZKBXDIVLR-OAHLLOKOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3CO)cc2)C1 ZINC001244576743 1103535374 /nfs/dbraw/zinc/53/53/74/1103535374.db2.gz SIRGEZKBXDIVLR-OAHLLOKOSA-N 2 2 316.832 3.032 20 0 DGADLP CN(C)c1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244799920 1103694368 /nfs/dbraw/zinc/69/43/68/1103694368.db2.gz YJTNBSMIPVZRAK-SFHVURJKSA-N 2 2 313.420 3.092 20 0 DGADLP CN(C)c1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244799920 1103694372 /nfs/dbraw/zinc/69/43/72/1103694372.db2.gz YJTNBSMIPVZRAK-SFHVURJKSA-N 2 2 313.420 3.092 20 0 DGADLP CNc1cc(-c2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)cc[nH+]1 ZINC001244974339 1103786457 /nfs/dbraw/zinc/78/64/57/1103786457.db2.gz WWKZQLGIHHYFFB-MRXNPFEDSA-N 2 2 321.428 3.455 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccsc2Br)C1 ZINC001206566290 1103852735 /nfs/dbraw/zinc/85/27/35/1103852735.db2.gz ZFOSVRILRYXBPB-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccsc2Br)C1 ZINC001206566290 1103852746 /nfs/dbraw/zinc/85/27/46/1103852746.db2.gz ZFOSVRILRYXBPB-ZDUSSCGKSA-N 2 2 317.296 3.462 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(Cl)cc(CO)c3)cc2)C1 ZINC001245094467 1103856997 /nfs/dbraw/zinc/85/69/97/1103856997.db2.gz VCLINHYLYQCBSV-GOSISDBHSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(Cl)cc(CO)c3)cc2)C1 ZINC001245094467 1103857008 /nfs/dbraw/zinc/85/70/08/1103857008.db2.gz VCLINHYLYQCBSV-GOSISDBHSA-N 2 2 316.832 3.032 20 0 DGADLP C[NH+]1CCC(C2CC[NH+](Cc3ncc(Cl)s3)CC2)CC1 ZINC001137109166 1103985740 /nfs/dbraw/zinc/98/57/40/1103985740.db2.gz AMXLXVDAOFHHNC-UHFFFAOYSA-N 2 2 313.898 3.350 20 0 DGADLP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157181 1104173349 /nfs/dbraw/zinc/17/33/49/1104173349.db2.gz VMITUHZMHOBVCD-OKZBNKHCSA-N 2 2 319.468 3.033 20 0 DGADLP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157181 1104173353 /nfs/dbraw/zinc/17/33/53/1104173353.db2.gz VMITUHZMHOBVCD-OKZBNKHCSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157181 1104173357 /nfs/dbraw/zinc/17/33/57/1104173357.db2.gz VMITUHZMHOBVCD-OKZBNKHCSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC001329157181 1104173360 /nfs/dbraw/zinc/17/33/60/1104173360.db2.gz VMITUHZMHOBVCD-OKZBNKHCSA-N 2 2 319.468 3.033 20 0 DGADLP Cc1c(F)ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001245693342 1104196841 /nfs/dbraw/zinc/19/68/41/1104196841.db2.gz SMFWVPRVHGCVFT-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001245693342 1104196848 /nfs/dbraw/zinc/19/68/48/1104196848.db2.gz SMFWVPRVHGCVFT-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1nc(Cl)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245779730 1104233191 /nfs/dbraw/zinc/23/31/91/1104233191.db2.gz WZLXSGXVWVQFJI-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1nc(Cl)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245779730 1104233198 /nfs/dbraw/zinc/23/31/98/1104233198.db2.gz WZLXSGXVWVQFJI-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(F)ccc(O)c3Cl)cc2)C1 ZINC001245831951 1104257303 /nfs/dbraw/zinc/25/73/03/1104257303.db2.gz QPOPISGIERDKNC-ZDUSSCGKSA-N 2 2 320.795 3.385 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(F)ccc(O)c3Cl)cc2)C1 ZINC001245831951 1104257309 /nfs/dbraw/zinc/25/73/09/1104257309.db2.gz QPOPISGIERDKNC-ZDUSSCGKSA-N 2 2 320.795 3.385 20 0 DGADLP CCCC[C@H](O)C[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054024 1104360212 /nfs/dbraw/zinc/36/02/12/1104360212.db2.gz BWAJFQAAOLAYCK-SFHVURJKSA-N 2 2 322.468 3.239 20 0 DGADLP CCCC[C@H](O)C[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054024 1104360223 /nfs/dbraw/zinc/36/02/23/1104360223.db2.gz BWAJFQAAOLAYCK-SFHVURJKSA-N 2 2 322.468 3.239 20 0 DGADLP CCCCC[C@@H](O)C[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246052444 1104360364 /nfs/dbraw/zinc/36/03/64/1104360364.db2.gz LLZBCZYPFFCYAR-RBUKOAKNSA-N 2 2 304.478 3.182 20 0 DGADLP CCCCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246052444 1104360376 /nfs/dbraw/zinc/36/03/76/1104360376.db2.gz LLZBCZYPFFCYAR-RBUKOAKNSA-N 2 2 304.478 3.182 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246074458 1104366104 /nfs/dbraw/zinc/36/61/04/1104366104.db2.gz DTXGYZMTQFYQBC-ZWKOTPCHSA-N 2 2 300.833 3.487 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2F)C[C@H](C)[NH2+]1 ZINC001246076682 1104371858 /nfs/dbraw/zinc/37/18/58/1104371858.db2.gz MXRKEXYSPTVWEQ-PEGIJTEDSA-N 2 2 315.230 3.207 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246092101 1104381208 /nfs/dbraw/zinc/38/12/08/1104381208.db2.gz HXZVCZLRDSUCSD-NILFDRSVSA-N 2 2 317.235 3.140 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246106071 1104387329 /nfs/dbraw/zinc/38/73/29/1104387329.db2.gz DRQOKOQRJODXLU-LNHVQRHZSA-N 2 2 320.786 3.229 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246112763 1104392076 /nfs/dbraw/zinc/39/20/76/1104392076.db2.gz RRGRYRDYTDMMLU-JLLWLGSASA-N 2 2 320.786 3.229 20 0 DGADLP Fc1cc2c(cc1F)CC([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)C2 ZINC001246142680 1104404462 /nfs/dbraw/zinc/40/44/62/1104404462.db2.gz NYPGQXNQLFUPFV-MOPGFXCFSA-N 2 2 314.379 3.125 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)CC2 ZINC001246144324 1104404532 /nfs/dbraw/zinc/40/45/32/1104404532.db2.gz TUFIDAFCUYILBA-DBVUQKKJSA-N 2 2 310.416 3.376 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+]CC[NH2+]Cc2ccccc2)CC1 ZINC001246169575 1104417288 /nfs/dbraw/zinc/41/72/88/1104417288.db2.gz JNQDMLYXXPPCJB-UHFFFAOYSA-N 3 2 303.494 3.019 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[NH2+]Cc2ccccc2)cc1 ZINC001246171900 1104419160 /nfs/dbraw/zinc/41/91/60/1104419160.db2.gz UFVYOIQEWAHQIX-QGZVFWFLSA-N 2 2 312.457 3.396 20 0 DGADLP Clc1cccc(Cl)c1CSCC[NH2+][C@@H]1CC[NH2+]C1 ZINC001246180326 1104423962 /nfs/dbraw/zinc/42/39/62/1104423962.db2.gz VQVSWJVFOLWTIE-SNVBAGLBSA-N 2 2 305.274 3.178 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246180177 1104424834 /nfs/dbraw/zinc/42/48/34/1104424834.db2.gz QFVBVLFKWCBNMA-NHYWBVRUSA-N 2 2 302.796 3.091 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246187866 1104427745 /nfs/dbraw/zinc/42/77/45/1104427745.db2.gz PHJLKOOIYUKFBI-MAUKXSAKSA-N 2 2 314.404 3.417 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246197055 1104433865 /nfs/dbraw/zinc/43/38/65/1104433865.db2.gz OMZYZKPPVSWQKE-QWHCGFSZSA-N 2 2 304.331 3.465 20 0 DGADLP C[N@@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955858 1104438276 /nfs/dbraw/zinc/43/82/76/1104438276.db2.gz CTJRZSBZMZYXSW-CEXWTWQISA-N 2 2 319.468 3.035 20 0 DGADLP C[N@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955858 1104438283 /nfs/dbraw/zinc/43/82/83/1104438283.db2.gz CTJRZSBZMZYXSW-CEXWTWQISA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955858 1104438289 /nfs/dbraw/zinc/43/82/89/1104438289.db2.gz CTJRZSBZMZYXSW-CEXWTWQISA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC001329955858 1104438296 /nfs/dbraw/zinc/43/82/96/1104438296.db2.gz CTJRZSBZMZYXSW-CEXWTWQISA-N 2 2 319.468 3.035 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Br)CC[NH2+]1 ZINC001246213697 1104439219 /nfs/dbraw/zinc/43/92/19/1104439219.db2.gz ZHHOJDHDNXQDTE-QWHCGFSZSA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246277888 1104471201 /nfs/dbraw/zinc/47/12/01/1104471201.db2.gz BYESONPMAUYAHK-CRAIPNDOSA-N 2 2 300.833 3.487 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)C[NH2+]1 ZINC001246284969 1104474067 /nfs/dbraw/zinc/47/40/67/1104474067.db2.gz DBIXIUZUKGPJCI-BVGQSLNGSA-N 2 2 306.425 3.024 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C[NH2+]1 ZINC001246285149 1104474106 /nfs/dbraw/zinc/47/41/06/1104474106.db2.gz GIMMDZKJDWSAIF-KGUHOSCRSA-N 2 2 308.425 3.255 20 0 DGADLP C[C@@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC001246296923 1104477301 /nfs/dbraw/zinc/47/73/01/1104477301.db2.gz SSJVQKUBUBDWOG-YPCVUPECSA-N 2 2 322.880 3.333 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336815 1104497351 /nfs/dbraw/zinc/49/73/51/1104497351.db2.gz QDBQTEITARJMPZ-RSPOEFSDSA-N 3 2 317.521 3.393 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])C[C@H](CC)[NH2+]1 ZINC001246336815 1104497353 /nfs/dbraw/zinc/49/73/53/1104497353.db2.gz QDBQTEITARJMPZ-RSPOEFSDSA-N 3 2 317.521 3.393 20 0 DGADLP CCCC[C@H]1C[C@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC[NH2+]1 ZINC001246390136 1104520689 /nfs/dbraw/zinc/52/06/89/1104520689.db2.gz WRNBUZXVTORNKX-ZWKOTPCHSA-N 3 2 307.526 3.281 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCOCC2)c2cccc(F)c2)C[NH2+]1 ZINC001246409981 1104530634 /nfs/dbraw/zinc/53/06/34/1104530634.db2.gz VRMMIIWFDUWLIC-CCKFTAQKSA-N 2 2 320.452 3.414 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C[NH2+]1 ZINC001246440769 1104539678 /nfs/dbraw/zinc/53/96/78/1104539678.db2.gz XIZBQXSZUJLKQX-BBRMVZONSA-N 2 2 308.853 3.076 20 0 DGADLP CCc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])c2cccc(OC)c2)cc1 ZINC001246509903 1104569665 /nfs/dbraw/zinc/56/96/65/1104569665.db2.gz KKPFNRSLSLTGGZ-YWZLYKJASA-N 2 2 312.457 3.478 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCC(C)(C)C2)cc1 ZINC001246527091 1104577184 /nfs/dbraw/zinc/57/71/84/1104577184.db2.gz RSEODPVQPHAXLY-JKSUJKDBSA-N 2 2 304.434 3.031 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001275040581 1104586063 /nfs/dbraw/zinc/58/60/63/1104586063.db2.gz NUEWCDVREVBUAK-PKOBYXMFSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001275040581 1104586067 /nfs/dbraw/zinc/58/60/67/1104586067.db2.gz NUEWCDVREVBUAK-PKOBYXMFSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CC=CCC1)C2 ZINC001275040581 1104586074 /nfs/dbraw/zinc/58/60/74/1104586074.db2.gz NUEWCDVREVBUAK-PKOBYXMFSA-N 2 2 314.477 3.054 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CC=CCC1)C2 ZINC001275040581 1104586082 /nfs/dbraw/zinc/58/60/82/1104586082.db2.gz NUEWCDVREVBUAK-PKOBYXMFSA-N 2 2 314.477 3.054 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)cc(Br)c1 ZINC001275036724 1104587592 /nfs/dbraw/zinc/58/75/92/1104587592.db2.gz SOWWTLIGNXFOSQ-MQVJKMGUSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)cc(Br)c1 ZINC001275036724 1104587599 /nfs/dbraw/zinc/58/75/99/1104587599.db2.gz SOWWTLIGNXFOSQ-MQVJKMGUSA-N 2 2 323.278 3.472 20 0 DGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062299 1104600435 /nfs/dbraw/zinc/60/04/35/1104600435.db2.gz VDYXSDBQXDRSHX-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062299 1104600438 /nfs/dbraw/zinc/60/04/38/1104600438.db2.gz VDYXSDBQXDRSHX-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062299 1104600441 /nfs/dbraw/zinc/60/04/41/1104600441.db2.gz VDYXSDBQXDRSHX-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062299 1104600444 /nfs/dbraw/zinc/60/04/44/1104600444.db2.gz VDYXSDBQXDRSHX-SJLPKXTDSA-N 2 2 304.482 3.134 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246611095 1104627088 /nfs/dbraw/zinc/62/70/88/1104627088.db2.gz RRWBZSZKKDBXLL-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246611095 1104627090 /nfs/dbraw/zinc/62/70/90/1104627090.db2.gz RRWBZSZKKDBXLL-MAUKXSAKSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621691 1104632802 /nfs/dbraw/zinc/63/28/02/1104632802.db2.gz PSEKRSVNGPKWJO-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621691 1104632807 /nfs/dbraw/zinc/63/28/07/1104632807.db2.gz PSEKRSVNGPKWJO-YJBOKZPZSA-N 2 2 304.865 3.415 20 0 DGADLP CCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275120023 1104635222 /nfs/dbraw/zinc/63/52/22/1104635222.db2.gz AVOBKXFGWPGIHL-IBGZPJMESA-N 2 2 318.509 3.207 20 0 DGADLP CCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275120023 1104635231 /nfs/dbraw/zinc/63/52/31/1104635231.db2.gz AVOBKXFGWPGIHL-IBGZPJMESA-N 2 2 318.509 3.207 20 0 DGADLP CCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275120023 1104635235 /nfs/dbraw/zinc/63/52/35/1104635235.db2.gz AVOBKXFGWPGIHL-IBGZPJMESA-N 2 2 318.509 3.207 20 0 DGADLP CCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275120023 1104635242 /nfs/dbraw/zinc/63/52/42/1104635242.db2.gz AVOBKXFGWPGIHL-IBGZPJMESA-N 2 2 318.509 3.207 20 0 DGADLP C1CCC2(CC1)CCC[C@H]([N@@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)C2 ZINC001246645204 1104643910 /nfs/dbraw/zinc/64/39/10/1104643910.db2.gz CDQBOXOSBAQHHX-PKOBYXMFSA-N 2 2 306.494 3.334 20 0 DGADLP C1CCC2(CC1)CCC[C@H]([N@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)C2 ZINC001246645204 1104643912 /nfs/dbraw/zinc/64/39/12/1104643912.db2.gz CDQBOXOSBAQHHX-PKOBYXMFSA-N 2 2 306.494 3.334 20 0 DGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647046 1104645963 /nfs/dbraw/zinc/64/59/63/1104645963.db2.gz GNBNOTXYPPPEHS-UXHICEINSA-N 2 2 316.489 3.242 20 0 DGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647046 1104645967 /nfs/dbraw/zinc/64/59/67/1104645967.db2.gz GNBNOTXYPPPEHS-UXHICEINSA-N 2 2 316.489 3.242 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246653450 1104649714 /nfs/dbraw/zinc/64/97/14/1104649714.db2.gz SZYPPPORYGSJET-ROUUACIJSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)C2 ZINC001246653450 1104649718 /nfs/dbraw/zinc/64/97/18/1104649718.db2.gz SZYPPPORYGSJET-ROUUACIJSA-N 2 2 304.865 3.415 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246661033 1104652885 /nfs/dbraw/zinc/65/28/85/1104652885.db2.gz GCAYIDKVNCWHRK-ILWGZMRPSA-N 2 2 318.464 3.424 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)CC2 ZINC001246661033 1104652887 /nfs/dbraw/zinc/65/28/87/1104652887.db2.gz GCAYIDKVNCWHRK-ILWGZMRPSA-N 2 2 318.464 3.424 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246768797 1104667123 /nfs/dbraw/zinc/66/71/23/1104667123.db2.gz VFPOORNSXXCRRN-KPFFTGBYSA-N 2 2 313.489 3.073 20 0 DGADLP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246768797 1104667130 /nfs/dbraw/zinc/66/71/30/1104667130.db2.gz VFPOORNSXXCRRN-KPFFTGBYSA-N 2 2 313.489 3.073 20 0 DGADLP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C[C@H](CC)[NH2+]1 ZINC001246779960 1104670651 /nfs/dbraw/zinc/67/06/51/1104670651.db2.gz RLQFXWRTODBJMA-BJWYYQGGSA-N 2 2 319.468 3.257 20 0 DGADLP CC[NH2+]C1CC[NH+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001246803887 1104682251 /nfs/dbraw/zinc/68/22/51/1104682251.db2.gz NKHDLMRKSQNGGK-AWEZNQCLSA-N 2 2 322.880 3.280 20 0 DGADLP Cn1cccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275234415 1104685396 /nfs/dbraw/zinc/68/53/96/1104685396.db2.gz QRXRQWTYSPSZFV-LJQANCHMSA-N 2 2 301.478 3.256 20 0 DGADLP Cn1cccc1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275234415 1104685400 /nfs/dbraw/zinc/68/54/00/1104685400.db2.gz QRXRQWTYSPSZFV-LJQANCHMSA-N 2 2 301.478 3.256 20 0 DGADLP Cn1cccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275234415 1104685403 /nfs/dbraw/zinc/68/54/03/1104685403.db2.gz QRXRQWTYSPSZFV-LJQANCHMSA-N 2 2 301.478 3.256 20 0 DGADLP Cn1cccc1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275234415 1104685407 /nfs/dbraw/zinc/68/54/07/1104685407.db2.gz QRXRQWTYSPSZFV-LJQANCHMSA-N 2 2 301.478 3.256 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824987 1104693361 /nfs/dbraw/zinc/69/33/61/1104693361.db2.gz RMHLDLCUGJUXDB-HOTGVXAUSA-N 2 2 308.466 3.446 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824987 1104693365 /nfs/dbraw/zinc/69/33/65/1104693365.db2.gz RMHLDLCUGJUXDB-HOTGVXAUSA-N 2 2 308.466 3.446 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840610 1104700642 /nfs/dbraw/zinc/70/06/42/1104700642.db2.gz OLYLATXFAOXZIJ-CEXWTWQISA-N 2 2 302.462 3.073 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC[NH2+]1 ZINC001246840610 1104700649 /nfs/dbraw/zinc/70/06/49/1104700649.db2.gz OLYLATXFAOXZIJ-CEXWTWQISA-N 2 2 302.462 3.073 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCC[C@H]2CC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246845805 1104705101 /nfs/dbraw/zinc/70/51/01/1104705101.db2.gz LZQPUJRNVYXCNB-LMMKCTJWSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1CC([N@H+]2CCC[C@H]2CC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246845805 1104705109 /nfs/dbraw/zinc/70/51/09/1104705109.db2.gz LZQPUJRNVYXCNB-LMMKCTJWSA-N 3 2 315.505 3.241 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1F ZINC001275300971 1104714105 /nfs/dbraw/zinc/71/41/05/1104714105.db2.gz GRGCOPQIMBVPSV-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1F ZINC001275300971 1104714112 /nfs/dbraw/zinc/71/41/12/1104714112.db2.gz GRGCOPQIMBVPSV-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1F ZINC001275300971 1104714121 /nfs/dbraw/zinc/71/41/21/1104714121.db2.gz GRGCOPQIMBVPSV-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1F ZINC001275300971 1104714129 /nfs/dbraw/zinc/71/41/29/1104714129.db2.gz GRGCOPQIMBVPSV-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917031 1104735821 /nfs/dbraw/zinc/73/58/21/1104735821.db2.gz VGTGNOHRPZRKDQ-HSALFYBXSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917031 1104735822 /nfs/dbraw/zinc/73/58/22/1104735822.db2.gz VGTGNOHRPZRKDQ-HSALFYBXSA-N 2 2 316.489 3.241 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[N@H+](CCC[NH3+])CC(=O)OCC ZINC001246919462 1104736907 /nfs/dbraw/zinc/73/69/07/1104736907.db2.gz AXGNFJJMXXKSQT-SFHVURJKSA-N 2 2 320.477 3.002 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[N@@H+](CCC[NH3+])CC(=O)OCC ZINC001246919462 1104736913 /nfs/dbraw/zinc/73/69/13/1104736913.db2.gz AXGNFJJMXXKSQT-SFHVURJKSA-N 2 2 320.477 3.002 20 0 DGADLP CCOCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246937041 1104744519 /nfs/dbraw/zinc/74/45/19/1104744519.db2.gz OTTQUEDYAMMDFN-QAPCUYQASA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246937041 1104744516 /nfs/dbraw/zinc/74/45/16/1104744516.db2.gz OTTQUEDYAMMDFN-QAPCUYQASA-N 2 2 308.441 3.195 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246943543 1104747451 /nfs/dbraw/zinc/74/74/51/1104747451.db2.gz UQHZECJACOLOJC-RTBURBONSA-N 3 2 303.494 3.143 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246943543 1104747457 /nfs/dbraw/zinc/74/74/57/1104747457.db2.gz UQHZECJACOLOJC-RTBURBONSA-N 3 2 303.494 3.143 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246944650 1104747485 /nfs/dbraw/zinc/74/74/85/1104747485.db2.gz JAIHBHPZCCYCPX-BXUZGUMPSA-N 2 2 302.846 3.193 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246944650 1104747488 /nfs/dbraw/zinc/74/74/88/1104747488.db2.gz JAIHBHPZCCYCPX-BXUZGUMPSA-N 2 2 302.846 3.193 20 0 DGADLP C[C@H]1CC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246951795 1104750003 /nfs/dbraw/zinc/75/00/03/1104750003.db2.gz HJJCIZOIFMKLIL-RLFYNMQTSA-N 2 2 320.452 3.336 20 0 DGADLP C[C@H]1CC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246951795 1104750008 /nfs/dbraw/zinc/75/00/08/1104750008.db2.gz HJJCIZOIFMKLIL-RLFYNMQTSA-N 2 2 320.452 3.336 20 0 DGADLP Fc1cccc(F)c1C[N@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246966243 1104753443 /nfs/dbraw/zinc/75/34/43/1104753443.db2.gz VMOITJJQMVUCLL-AGGWBTHJSA-N 2 2 306.400 3.317 20 0 DGADLP Fc1cccc(F)c1C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001246966243 1104753445 /nfs/dbraw/zinc/75/34/45/1104753445.db2.gz VMOITJJQMVUCLL-AGGWBTHJSA-N 2 2 306.400 3.317 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977372 1104759869 /nfs/dbraw/zinc/75/98/69/1104759869.db2.gz HDBSICMLJUFYHP-NJAFHUGGSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977372 1104759872 /nfs/dbraw/zinc/75/98/72/1104759872.db2.gz HDBSICMLJUFYHP-NJAFHUGGSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)C1(C)CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246977366 1104760349 /nfs/dbraw/zinc/76/03/49/1104760349.db2.gz HCZMGFYGUFSNNL-HFCFLWKCSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)C1(C)CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246977366 1104760352 /nfs/dbraw/zinc/76/03/52/1104760352.db2.gz HCZMGFYGUFSNNL-HFCFLWKCSA-N 2 2 322.493 3.105 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979954 1104761358 /nfs/dbraw/zinc/76/13/58/1104761358.db2.gz PKUWLGWQLSSWBV-HKUYNNGSSA-N 3 2 309.542 3.494 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979954 1104761359 /nfs/dbraw/zinc/76/13/59/1104761359.db2.gz PKUWLGWQLSSWBV-HKUYNNGSSA-N 3 2 309.542 3.494 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001247002131 1104772549 /nfs/dbraw/zinc/77/25/49/1104772549.db2.gz JZVDOAQNLWDEDM-NEPJUHHUSA-N 2 2 311.267 3.194 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001247002131 1104772553 /nfs/dbraw/zinc/77/25/53/1104772553.db2.gz JZVDOAQNLWDEDM-NEPJUHHUSA-N 2 2 311.267 3.194 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001275810701 1104917653 /nfs/dbraw/zinc/91/76/53/1104917653.db2.gz IFCJNVFEDDCDDU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001275810701 1104917656 /nfs/dbraw/zinc/91/76/56/1104917656.db2.gz IFCJNVFEDDCDDU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001275810701 1104917660 /nfs/dbraw/zinc/91/76/60/1104917660.db2.gz IFCJNVFEDDCDDU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001275810701 1104917664 /nfs/dbraw/zinc/91/76/64/1104917664.db2.gz IFCJNVFEDDCDDU-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC001247700241 1104958442 /nfs/dbraw/zinc/95/84/42/1104958442.db2.gz LQAVTAUFIRYXIN-CQSZACIVSA-N 2 2 314.776 3.016 20 0 DGADLP COc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276083851 1105010480 /nfs/dbraw/zinc/01/04/80/1105010480.db2.gz OVXHUBWAZPBKCJ-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276083851 1105010485 /nfs/dbraw/zinc/01/04/85/1105010485.db2.gz OVXHUBWAZPBKCJ-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)ccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276083851 1105010492 /nfs/dbraw/zinc/01/04/92/1105010492.db2.gz OVXHUBWAZPBKCJ-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)ccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276083851 1105010498 /nfs/dbraw/zinc/01/04/98/1105010498.db2.gz OVXHUBWAZPBKCJ-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cc(OC)cc3F)(C1)CCC2 ZINC001276132274 1105027036 /nfs/dbraw/zinc/02/70/36/1105027036.db2.gz LXJBVBFLXDYAJG-DLBZAZTESA-N 2 2 310.388 3.128 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248960757 1105201999 /nfs/dbraw/zinc/20/19/99/1105201999.db2.gz DRUWSZLNXUOSKA-HNNXBMFYSA-N 2 2 323.400 3.120 20 0 DGADLP CC(C)[N@H+]1CC[C@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248960757 1105202002 /nfs/dbraw/zinc/20/20/02/1105202002.db2.gz DRUWSZLNXUOSKA-HNNXBMFYSA-N 2 2 323.400 3.120 20 0 DGADLP c1cc2cc[nH+]cc2c(NC2=CC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001249559019 1105314476 /nfs/dbraw/zinc/31/44/76/1105314476.db2.gz OMUJISPJAZIHLK-QGZVFWFLSA-N 2 2 309.413 3.415 20 0 DGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249587304 1105323950 /nfs/dbraw/zinc/32/39/50/1105323950.db2.gz OUDVGRLJZVBJOU-UHFFFAOYSA-N 2 2 310.254 3.361 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206575742 1105465003 /nfs/dbraw/zinc/46/50/03/1105465003.db2.gz XOJOWZCJDAUPOP-KRWDZBQOSA-N 2 2 312.404 3.314 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206575742 1105465008 /nfs/dbraw/zinc/46/50/08/1105465008.db2.gz XOJOWZCJDAUPOP-KRWDZBQOSA-N 2 2 312.404 3.314 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC001137345892 1105493357 /nfs/dbraw/zinc/49/33/57/1105493357.db2.gz CDMUDPYOHNGGMD-UHFFFAOYSA-N 2 2 321.428 3.005 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC001137345892 1105493363 /nfs/dbraw/zinc/49/33/63/1105493363.db2.gz CDMUDPYOHNGGMD-UHFFFAOYSA-N 2 2 321.428 3.005 20 0 DGADLP C[NH+]1CCC([N@H+](C[C@H](O)c2ccccc2)C2CCCC2)CC1 ZINC001251993862 1105721316 /nfs/dbraw/zinc/72/13/16/1105721316.db2.gz UNGGRMHMLKFLFU-IBGZPJMESA-N 2 2 302.462 3.059 20 0 DGADLP C[NH+]1CCC([N@@H+](C[C@H](O)c2ccccc2)C2CCCC2)CC1 ZINC001251993862 1105721318 /nfs/dbraw/zinc/72/13/18/1105721318.db2.gz UNGGRMHMLKFLFU-IBGZPJMESA-N 2 2 302.462 3.059 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001255968091 1105738872 /nfs/dbraw/zinc/73/88/72/1105738872.db2.gz VQOUIZKWUDONTF-HIFRSBDPSA-N 2 2 324.431 3.132 20 0 DGADLP CC(C)(O)C[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001252365610 1105772735 /nfs/dbraw/zinc/77/27/35/1105772735.db2.gz FNWMPGIWGCZSGX-UHFFFAOYSA-N 2 2 324.468 3.068 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)n1cc[nH+]c1CC[NH3+] ZINC001256212443 1105850703 /nfs/dbraw/zinc/85/07/03/1105850703.db2.gz CVTLSQQWCNEQNQ-GFCCVEGCSA-N 2 2 322.250 3.341 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253192808 1105901226 /nfs/dbraw/zinc/90/12/26/1105901226.db2.gz YNDWIUGMGXJEBI-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253192808 1105901231 /nfs/dbraw/zinc/90/12/31/1105901231.db2.gz YNDWIUGMGXJEBI-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP Clc1ccc(OCCC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254834945 1106145936 /nfs/dbraw/zinc/14/59/36/1106145936.db2.gz CFMITQOMHLIDFL-INIZCTEOSA-N 2 2 308.853 3.183 20 0 DGADLP COc1ccc(C2=CC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254869823 1106151779 /nfs/dbraw/zinc/15/17/79/1106151779.db2.gz YRVNCUDSIOPPCJ-LJQANCHMSA-N 2 2 312.457 3.269 20 0 DGADLP COc1ccc(C2=CC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254869823 1106151781 /nfs/dbraw/zinc/15/17/81/1106151781.db2.gz YRVNCUDSIOPPCJ-LJQANCHMSA-N 2 2 312.457 3.269 20 0 DGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255124240 1106183586 /nfs/dbraw/zinc/18/35/86/1106183586.db2.gz IMDPENLWJYOJDV-REPLKXPHSA-N 3 2 324.472 3.061 20 0 DGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124240 1106183590 /nfs/dbraw/zinc/18/35/90/1106183590.db2.gz IMDPENLWJYOJDV-REPLKXPHSA-N 3 2 324.472 3.061 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001255124021 1106183859 /nfs/dbraw/zinc/18/38/59/1106183859.db2.gz ZOVZPPJHLXOJDF-FNLKRUPLSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001255124021 1106183863 /nfs/dbraw/zinc/18/38/63/1106183863.db2.gz ZOVZPPJHLXOJDF-FNLKRUPLSA-N 2 2 322.456 3.070 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3(c4cccnn4)CC3)CC2)cc1 ZINC001255386457 1106238532 /nfs/dbraw/zinc/23/85/32/1106238532.db2.gz MXAGWPBXPACODO-GOSISDBHSA-N 2 2 322.456 3.110 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3(c4cccnn4)CC3)CC2)cc1 ZINC001255386457 1106238536 /nfs/dbraw/zinc/23/85/36/1106238536.db2.gz MXAGWPBXPACODO-GOSISDBHSA-N 2 2 322.456 3.110 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394335 1106240522 /nfs/dbraw/zinc/24/05/22/1106240522.db2.gz VPFWBXRCMXMHJR-AEFFLSMTSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394335 1106240524 /nfs/dbraw/zinc/24/05/24/1106240524.db2.gz VPFWBXRCMXMHJR-AEFFLSMTSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399269 1106243183 /nfs/dbraw/zinc/24/31/83/1106243183.db2.gz QAYWOLZXRAEFME-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399269 1106243188 /nfs/dbraw/zinc/24/31/88/1106243188.db2.gz QAYWOLZXRAEFME-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399269 1106243193 /nfs/dbraw/zinc/24/31/93/1106243193.db2.gz QAYWOLZXRAEFME-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399269 1106243195 /nfs/dbraw/zinc/24/31/95/1106243195.db2.gz QAYWOLZXRAEFME-HKUYNNGSSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399270 1106243680 /nfs/dbraw/zinc/24/36/80/1106243680.db2.gz QAYWOLZXRAEFME-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399270 1106243682 /nfs/dbraw/zinc/24/36/82/1106243682.db2.gz QAYWOLZXRAEFME-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399270 1106243684 /nfs/dbraw/zinc/24/36/84/1106243684.db2.gz QAYWOLZXRAEFME-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399270 1106243688 /nfs/dbraw/zinc/24/36/88/1106243688.db2.gz QAYWOLZXRAEFME-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408690 1106245950 /nfs/dbraw/zinc/24/59/50/1106245950.db2.gz PHKLLWIJFDAROJ-HXUWFJFHSA-N 2 2 321.468 3.494 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408690 1106245955 /nfs/dbraw/zinc/24/59/55/1106245955.db2.gz PHKLLWIJFDAROJ-HXUWFJFHSA-N 2 2 321.468 3.494 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408690 1106245959 /nfs/dbraw/zinc/24/59/59/1106245959.db2.gz PHKLLWIJFDAROJ-HXUWFJFHSA-N 2 2 321.468 3.494 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001255408690 1106245964 /nfs/dbraw/zinc/24/59/64/1106245964.db2.gz PHKLLWIJFDAROJ-HXUWFJFHSA-N 2 2 321.468 3.494 20 0 DGADLP Cc1ncc(C[N@@H+](C)[C@H]2CCC[NH+](Cc3ccccc3)CC2)cn1 ZINC001255408546 1106246853 /nfs/dbraw/zinc/24/68/53/1106246853.db2.gz NMWGDDRJBYYIGR-FQEVSTJZSA-N 2 2 324.472 3.272 20 0 DGADLP Cc1ncc(C[N@H+](C)[C@H]2CCC[NH+](Cc3ccccc3)CC2)cn1 ZINC001255408546 1106246857 /nfs/dbraw/zinc/24/68/57/1106246857.db2.gz NMWGDDRJBYYIGR-FQEVSTJZSA-N 2 2 324.472 3.272 20 0 DGADLP Cc1ncc(C[NH+](C)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001255408546 1106246861 /nfs/dbraw/zinc/24/68/61/1106246861.db2.gz NMWGDDRJBYYIGR-FQEVSTJZSA-N 2 2 324.472 3.272 20 0 DGADLP Cc1ncc(C[NH+](C)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255408546 1106246865 /nfs/dbraw/zinc/24/68/65/1106246865.db2.gz NMWGDDRJBYYIGR-FQEVSTJZSA-N 2 2 324.472 3.272 20 0 DGADLP Cc1[nH+]c2c(n1C1CCC(C(F)(F)F)CC1)CC[NH2+]CC2 ZINC001255513909 1106261600 /nfs/dbraw/zinc/26/16/00/1106261600.db2.gz DGHALTXNGZUSEW-UHFFFAOYSA-N 2 2 301.356 3.173 20 0 DGADLP C[C@H](CC(F)(F)F)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001255664782 1106290520 /nfs/dbraw/zinc/29/05/20/1106290520.db2.gz SPCYGWVGVHOSCU-SNVBAGLBSA-N 2 2 305.319 3.120 20 0 DGADLP C[C@H](CSc1ccc(F)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001255750935 1106308727 /nfs/dbraw/zinc/30/87/27/1106308727.db2.gz JUTVSOADNZRVNX-CQSZACIVSA-N 2 2 308.466 3.476 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001255870211 1106333771 /nfs/dbraw/zinc/33/37/71/1106333771.db2.gz DKAGFNISWDAVOB-HNNXBMFYSA-N 2 2 302.437 3.174 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001255870211 1106333774 /nfs/dbraw/zinc/33/37/74/1106333774.db2.gz DKAGFNISWDAVOB-HNNXBMFYSA-N 2 2 302.437 3.174 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccn1 ZINC001255948312 1106347090 /nfs/dbraw/zinc/34/70/90/1106347090.db2.gz JJAWSUOTSIIKBK-LBPRGKRZSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ncccc1OC)C1CC1 ZINC001255953490 1106348895 /nfs/dbraw/zinc/34/88/95/1106348895.db2.gz RRMPXSPDYBQZOF-YOEHRIQHSA-N 2 2 305.466 3.251 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001255964490 1106351293 /nfs/dbraw/zinc/35/12/93/1106351293.db2.gz YRHBMUHHHLXPJP-MRXNPFEDSA-N 3 2 318.509 3.049 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076986 1106365085 /nfs/dbraw/zinc/36/50/85/1106365085.db2.gz JZQNURMMMGRLKH-SFHVURJKSA-N 2 2 300.446 3.459 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256076986 1106365088 /nfs/dbraw/zinc/36/50/88/1106365088.db2.gz JZQNURMMMGRLKH-SFHVURJKSA-N 2 2 300.446 3.459 20 0 DGADLP CC(C)C[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001278912641 1106373092 /nfs/dbraw/zinc/37/30/92/1106373092.db2.gz UXKZCBWUZNDEKN-UHFFFAOYSA-N 2 2 316.449 3.001 20 0 DGADLP CC(C)C[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001278912641 1106373094 /nfs/dbraw/zinc/37/30/94/1106373094.db2.gz UXKZCBWUZNDEKN-UHFFFAOYSA-N 2 2 316.449 3.001 20 0 DGADLP COc1cc(Cl)cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1OC ZINC001256198788 1106389675 /nfs/dbraw/zinc/38/96/75/1106389675.db2.gz VGWNMBGWNZUFMA-LLVKDONJSA-N 2 2 312.841 3.102 20 0 DGADLP C[NH+]1CCC([N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC001256210482 1106391366 /nfs/dbraw/zinc/39/13/66/1106391366.db2.gz IYMHXACXXOFPFQ-XIRDDKMYSA-N 2 2 322.493 3.055 20 0 DGADLP C[NH+]1CCC([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC001256210482 1106391370 /nfs/dbraw/zinc/39/13/70/1106391370.db2.gz IYMHXACXXOFPFQ-XIRDDKMYSA-N 2 2 322.493 3.055 20 0 DGADLP CC(C)CC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001256353669 1106408513 /nfs/dbraw/zinc/40/85/13/1106408513.db2.gz XSVRRLQCWSMIKP-QGZVFWFLSA-N 2 2 304.478 3.433 20 0 DGADLP CCOC1CCC([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001256447582 1106425517 /nfs/dbraw/zinc/42/55/17/1106425517.db2.gz PVWOXKCUJSZPDT-JCYILVPMSA-N 2 2 304.434 3.191 20 0 DGADLP CCOC1CCC([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001256447582 1106425519 /nfs/dbraw/zinc/42/55/19/1106425519.db2.gz PVWOXKCUJSZPDT-JCYILVPMSA-N 2 2 304.434 3.191 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522162 1106432805 /nfs/dbraw/zinc/43/28/05/1106432805.db2.gz IBNMHRONHSRIND-NVXWUHKLSA-N 2 2 302.462 3.244 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522162 1106432807 /nfs/dbraw/zinc/43/28/07/1106432807.db2.gz IBNMHRONHSRIND-NVXWUHKLSA-N 2 2 302.462 3.244 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522161 1106432861 /nfs/dbraw/zinc/43/28/61/1106432861.db2.gz IBNMHRONHSRIND-DOTOQJQBSA-N 2 2 302.462 3.244 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522161 1106432864 /nfs/dbraw/zinc/43/28/64/1106432864.db2.gz IBNMHRONHSRIND-DOTOQJQBSA-N 2 2 302.462 3.244 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001256527289 1106434583 /nfs/dbraw/zinc/43/45/83/1106434583.db2.gz RGAYQGIEGHZXCI-BXWFABGCSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001256527289 1106434586 /nfs/dbraw/zinc/43/45/86/1106434586.db2.gz RGAYQGIEGHZXCI-BXWFABGCSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535867 1106437128 /nfs/dbraw/zinc/43/71/28/1106437128.db2.gz BDKPCHZNFAAGAU-LMCOJAPRSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256535867 1106437130 /nfs/dbraw/zinc/43/71/30/1106437130.db2.gz BDKPCHZNFAAGAU-LMCOJAPRSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535867 1106437131 /nfs/dbraw/zinc/43/71/31/1106437131.db2.gz BDKPCHZNFAAGAU-LMCOJAPRSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256535867 1106437133 /nfs/dbraw/zinc/43/71/33/1106437133.db2.gz BDKPCHZNFAAGAU-LMCOJAPRSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256538578 1106437492 /nfs/dbraw/zinc/43/74/92/1106437492.db2.gz UFWATZRVFMAROT-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256538578 1106437496 /nfs/dbraw/zinc/43/74/96/1106437496.db2.gz UFWATZRVFMAROT-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538578 1106437498 /nfs/dbraw/zinc/43/74/98/1106437498.db2.gz UFWATZRVFMAROT-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538578 1106437500 /nfs/dbraw/zinc/43/75/00/1106437500.db2.gz UFWATZRVFMAROT-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256551091 1106440526 /nfs/dbraw/zinc/44/05/26/1106440526.db2.gz PMYYFMTVHRIRQG-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256551091 1106440528 /nfs/dbraw/zinc/44/05/28/1106440528.db2.gz PMYYFMTVHRIRQG-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551091 1106440531 /nfs/dbraw/zinc/44/05/31/1106440531.db2.gz PMYYFMTVHRIRQG-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551091 1106440533 /nfs/dbraw/zinc/44/05/33/1106440533.db2.gz PMYYFMTVHRIRQG-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC3(CCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553822 1106442160 /nfs/dbraw/zinc/44/21/60/1106442160.db2.gz KUIPSXAPVTXIHB-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC3(CCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553822 1106442162 /nfs/dbraw/zinc/44/21/62/1106442162.db2.gz KUIPSXAPVTXIHB-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3OCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553751 1106442720 /nfs/dbraw/zinc/44/27/20/1106442720.db2.gz JUFRFHMXGCINPB-MDNKFWRPSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3OCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256553751 1106442722 /nfs/dbraw/zinc/44/27/22/1106442722.db2.gz JUFRFHMXGCINPB-MDNKFWRPSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3OCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553751 1106442725 /nfs/dbraw/zinc/44/27/25/1106442725.db2.gz JUFRFHMXGCINPB-MDNKFWRPSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553751 1106442728 /nfs/dbraw/zinc/44/27/28/1106442728.db2.gz JUFRFHMXGCINPB-MDNKFWRPSA-N 2 2 314.473 3.150 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2cccc(Cl)c2)CC1 ZINC001256561584 1106445066 /nfs/dbraw/zinc/44/50/66/1106445066.db2.gz ANNYEQRHIATNSP-MRXNPFEDSA-N 2 2 310.869 3.226 20 0 DGADLP COC[C@@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604352 1106452333 /nfs/dbraw/zinc/45/23/33/1106452333.db2.gz PLFSYSORQZBOLI-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP COC[C@@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604352 1106452338 /nfs/dbraw/zinc/45/23/38/1106452338.db2.gz PLFSYSORQZBOLI-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP c1cn(C2CC[NH+]([C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001256818774 1106490037 /nfs/dbraw/zinc/49/00/37/1106490037.db2.gz AROIAWNCOFITNJ-RTBURBONSA-N 2 2 311.429 3.440 20 0 DGADLP Fc1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001256907578 1106507850 /nfs/dbraw/zinc/50/78/50/1106507850.db2.gz DWWZIUYAQXWXRS-MRXNPFEDSA-N 2 2 317.452 3.249 20 0 DGADLP Fc1ccc(C2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001256907578 1106507852 /nfs/dbraw/zinc/50/78/52/1106507852.db2.gz DWWZIUYAQXWXRS-MRXNPFEDSA-N 2 2 317.452 3.249 20 0 DGADLP Cc1cccnc1C1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909045 1106509225 /nfs/dbraw/zinc/50/92/25/1106509225.db2.gz QMKVRORJVOYBBG-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1cccnc1C1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909045 1106509226 /nfs/dbraw/zinc/50/92/26/1106509226.db2.gz QMKVRORJVOYBBG-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP COc1cccnc1[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257213106 1106552340 /nfs/dbraw/zinc/55/23/40/1106552340.db2.gz GSOZQZTYERLGFL-KRWDZBQOSA-N 2 2 303.450 3.004 20 0 DGADLP COc1cnccc1[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257213702 1106552411 /nfs/dbraw/zinc/55/24/11/1106552411.db2.gz SQONVDRFXWLVTJ-SFHVURJKSA-N 2 2 303.450 3.004 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cc(F)cc32)CC1 ZINC001257214152 1106552666 /nfs/dbraw/zinc/55/26/66/1106552666.db2.gz YRLCAIRGCCGUGI-INIZCTEOSA-N 2 2 310.388 3.251 20 0 DGADLP CCC[C@H]1CC[C@H](C2CCC([NH2+]C3(C[NH3+])COC3)CC2)CC1 ZINC001257241981 1106555743 /nfs/dbraw/zinc/55/57/43/1106555743.db2.gz BVIACTCTKWBLDP-MJYONLJCSA-N 2 2 308.510 3.469 20 0 DGADLP CCC[C@@H](CC)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001257260707 1106558793 /nfs/dbraw/zinc/55/87/93/1106558793.db2.gz ROJGMMDQGRYWLQ-QGZVFWFLSA-N 2 2 317.477 3.332 20 0 DGADLP CCCC[C@@H](CC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257418514 1106584999 /nfs/dbraw/zinc/58/49/99/1106584999.db2.gz DUYJNZGXKGXMAF-QGZVFWFLSA-N 2 2 304.482 3.263 20 0 DGADLP CCCC[C@@H](CC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257418514 1106585004 /nfs/dbraw/zinc/58/50/04/1106585004.db2.gz DUYJNZGXKGXMAF-QGZVFWFLSA-N 2 2 304.482 3.263 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257487221 1106597921 /nfs/dbraw/zinc/59/79/21/1106597921.db2.gz DDSAVWBVCSEYJV-HJOIGYKYSA-N 2 2 324.509 3.018 20 0 DGADLP C[C@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)C[C@@H](C)C1 ZINC001258165272 1106684618 /nfs/dbraw/zinc/68/46/18/1106684618.db2.gz MVTXTIVJZWXGCB-LYYGHALDSA-N 2 2 313.489 3.270 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCSC)CC1 ZINC001258201700 1106695967 /nfs/dbraw/zinc/69/59/67/1106695967.db2.gz FRFMWASRVFJZKX-OAHLLOKOSA-N 2 2 322.518 3.391 20 0 DGADLP CSCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258217962 1106699991 /nfs/dbraw/zinc/69/99/91/1106699991.db2.gz UJXDVCAKEBUQEX-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258217962 1106699993 /nfs/dbraw/zinc/69/99/93/1106699993.db2.gz UJXDVCAKEBUQEX-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001258217962 1106699995 /nfs/dbraw/zinc/69/99/95/1106699995.db2.gz UJXDVCAKEBUQEX-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001258217962 1106699997 /nfs/dbraw/zinc/69/99/97/1106699997.db2.gz UJXDVCAKEBUQEX-HUUCEWRRSA-N 2 2 324.538 3.242 20 0 DGADLP CSC(C)(C)C[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001258324055 1106716188 /nfs/dbraw/zinc/71/61/88/1106716188.db2.gz LXNRFUVCQXNPSV-LLVKDONJSA-N 2 2 301.525 3.476 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC001258393991 1106729348 /nfs/dbraw/zinc/72/93/48/1106729348.db2.gz GPRZNCLDFWBYDN-WBVHZDCISA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)cc1 ZINC001258393991 1106729352 /nfs/dbraw/zinc/72/93/52/1106729352.db2.gz GPRZNCLDFWBYDN-WBVHZDCISA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)cc1 ZINC001258395398 1106729554 /nfs/dbraw/zinc/72/95/54/1106729554.db2.gz GIYQKGZZZTUZBR-OAHLLOKOSA-N 2 2 309.413 3.454 20 0 DGADLP CC[N@H+]([C@H](C)CCc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001258403046 1106731306 /nfs/dbraw/zinc/73/13/06/1106731306.db2.gz GIVABTQYYNIPBK-MRXNPFEDSA-N 2 2 304.478 3.432 20 0 DGADLP CC[N@@H+]([C@H](C)CCc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001258403046 1106731311 /nfs/dbraw/zinc/73/13/11/1106731311.db2.gz GIVABTQYYNIPBK-MRXNPFEDSA-N 2 2 304.478 3.432 20 0 DGADLP CC1CC[NH+](CC[NH2+]C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258410300 1106733411 /nfs/dbraw/zinc/73/34/11/1106733411.db2.gz RYDCMEQGHGYPPG-UHFFFAOYSA-N 2 2 319.468 3.116 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)C1CCN(c2cccc(F)c2)CC1 ZINC001258428681 1106742256 /nfs/dbraw/zinc/74/22/56/1106742256.db2.gz YSKGWKMZZFLHKB-UHFFFAOYSA-N 2 2 316.424 3.013 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCN(c2cccc(F)c2)CC1 ZINC001258428681 1106742271 /nfs/dbraw/zinc/74/22/71/1106742271.db2.gz YSKGWKMZZFLHKB-UHFFFAOYSA-N 2 2 316.424 3.013 20 0 DGADLP CC[C@H](C)C[N@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316898621 1106745257 /nfs/dbraw/zinc/74/52/57/1106745257.db2.gz UTEMOCHDQHRNLH-AWEZNQCLSA-N 2 2 319.493 3.495 20 0 DGADLP CC[C@H](C)C[N@@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316898621 1106745269 /nfs/dbraw/zinc/74/52/69/1106745269.db2.gz UTEMOCHDQHRNLH-AWEZNQCLSA-N 2 2 319.493 3.495 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CC1CC1 ZINC001258458797 1106756115 /nfs/dbraw/zinc/75/61/15/1106756115.db2.gz ZMSWUXXONGCORI-KFKAGJAMSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CC1CC1 ZINC001258458797 1106756130 /nfs/dbraw/zinc/75/61/30/1106756130.db2.gz ZMSWUXXONGCORI-KFKAGJAMSA-N 2 2 302.462 3.054 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1C1CCN(c2ccccc2)CC1 ZINC001258508761 1106786961 /nfs/dbraw/zinc/78/69/61/1106786961.db2.gz LLTBUDWTZPKFLN-NRFANRHFSA-N 2 2 321.468 3.041 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1C1CCN(c2ccccc2)CC1 ZINC001258508761 1106786975 /nfs/dbraw/zinc/78/69/75/1106786975.db2.gz LLTBUDWTZPKFLN-NRFANRHFSA-N 2 2 321.468 3.041 20 0 DGADLP c1cn2cc(C[NH2+]C3CCN(c4ccccc4)CC3)ccc2[nH+]1 ZINC001258509898 1106789814 /nfs/dbraw/zinc/78/98/14/1106789814.db2.gz KMKQRBARBUBSJB-UHFFFAOYSA-N 2 2 306.413 3.093 20 0 DGADLP C[C@H](Cc1cccnc1)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258619027 1106857057 /nfs/dbraw/zinc/85/70/57/1106857057.db2.gz MXYSESLSTXUIEO-OAHLLOKOSA-N 2 2 313.420 3.102 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccncc2OC)C2CC2)CC1 ZINC001258771760 1106966329 /nfs/dbraw/zinc/96/63/29/1106966329.db2.gz SWELYAZDIKYRHO-GOSISDBHSA-N 2 2 303.450 3.005 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001258777441 1106970101 /nfs/dbraw/zinc/97/01/01/1106970101.db2.gz WDCNBWLUFNBDIN-QGZVFWFLSA-N 2 2 300.446 3.066 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001258777441 1106970116 /nfs/dbraw/zinc/97/01/16/1106970116.db2.gz WDCNBWLUFNBDIN-QGZVFWFLSA-N 2 2 300.446 3.066 20 0 DGADLP CC[C@@H](Cc1ccccc1)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258849945 1107024890 /nfs/dbraw/zinc/02/48/90/1107024890.db2.gz XOTHVIWUIQZCTF-IBGZPJMESA-N 2 2 324.472 3.237 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001258880220 1107034326 /nfs/dbraw/zinc/03/43/26/1107034326.db2.gz AJYONERUFFYBRW-SJORKVTESA-N 2 2 304.478 3.336 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001320535920 1107045703 /nfs/dbraw/zinc/04/57/03/1107045703.db2.gz MMYWZKIQEVLEKA-ZIAGYGMSSA-N 2 2 307.869 3.122 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001320535920 1107045714 /nfs/dbraw/zinc/04/57/14/1107045714.db2.gz MMYWZKIQEVLEKA-ZIAGYGMSSA-N 2 2 307.869 3.122 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1c(C)oc(C)c1C ZINC001321632698 1107400007 /nfs/dbraw/zinc/40/00/07/1107400007.db2.gz PEPJMDNYNDDBST-UHFFFAOYSA-N 2 2 310.357 3.346 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508540 1107456446 /nfs/dbraw/zinc/45/64/46/1107456446.db2.gz NOYFDRQOEUXBSK-OKZBNKHCSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001261508540 1107456453 /nfs/dbraw/zinc/45/64/53/1107456453.db2.gz NOYFDRQOEUXBSK-OKZBNKHCSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2[nH]ccc21 ZINC001322269285 1107602298 /nfs/dbraw/zinc/60/22/98/1107602298.db2.gz CFEXJYRPNADERG-UHFFFAOYSA-N 2 2 317.352 3.309 20 0 DGADLP COc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)nc1 ZINC001262363666 1107694012 /nfs/dbraw/zinc/69/40/12/1107694012.db2.gz ZUOUCLDEARAEMH-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP COc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC001262363666 1107694017 /nfs/dbraw/zinc/69/40/17/1107694017.db2.gz ZUOUCLDEARAEMH-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001262365346 1107696614 /nfs/dbraw/zinc/69/66/14/1107696614.db2.gz ZHZJSCCXYLCUCN-CYBMUJFWSA-N 2 2 319.836 3.234 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001262365346 1107696616 /nfs/dbraw/zinc/69/66/16/1107696616.db2.gz ZHZJSCCXYLCUCN-CYBMUJFWSA-N 2 2 319.836 3.234 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2c(s1)CCC2 ZINC001322868240 1107771992 /nfs/dbraw/zinc/77/19/92/1107771992.db2.gz KGXAJHXTMLYSOT-UHFFFAOYSA-N 2 2 324.409 3.378 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001263099075 1107945050 /nfs/dbraw/zinc/94/50/50/1107945050.db2.gz XWBUTPHAARTABH-IAOVAPTHSA-N 2 2 324.428 3.184 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccccc1C ZINC001318603146 1108119586 /nfs/dbraw/zinc/11/95/86/1108119586.db2.gz DJNPIYFVXLKTIS-UHFFFAOYSA-N 2 2 320.396 3.455 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSCCC(C)C ZINC001318605837 1108122762 /nfs/dbraw/zinc/12/27/62/1108122762.db2.gz VHCGUQGDCMCYFF-UHFFFAOYSA-N 2 2 318.446 3.294 20 0 DGADLP Cc1cccnc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001324034185 1108155343 /nfs/dbraw/zinc/15/53/43/1108155343.db2.gz JRMIYHXNRJPRSB-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cccnc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001324034185 1108155351 /nfs/dbraw/zinc/15/53/51/1108155351.db2.gz JRMIYHXNRJPRSB-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842776 1108483021 /nfs/dbraw/zinc/48/30/21/1108483021.db2.gz JFUXOPNPKKUHHZ-BEFAXECRSA-N 2 2 316.489 3.479 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842776 1108483026 /nfs/dbraw/zinc/48/30/26/1108483026.db2.gz JFUXOPNPKKUHHZ-BEFAXECRSA-N 2 2 316.489 3.479 20 0 DGADLP Cc1ccccc1OCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001325181013 1108589806 /nfs/dbraw/zinc/58/98/06/1108589806.db2.gz IXAJJWNKKPZJMQ-QGZVFWFLSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1ccccc1OCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001325181013 1108589815 /nfs/dbraw/zinc/58/98/15/1108589815.db2.gz IXAJJWNKKPZJMQ-QGZVFWFLSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001319744675 1108619863 /nfs/dbraw/zinc/61/98/63/1108619863.db2.gz CLWGWUQJPLIYMB-UHFFFAOYSA-N 2 2 318.852 3.421 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000393426706 1109012898 /nfs/dbraw/zinc/01/28/98/1109012898.db2.gz YILORTTUSSKQQS-SFHVURJKSA-N 2 2 323.444 3.273 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCCC23CCOCC3)CC1 ZINC001308169160 1111389086 /nfs/dbraw/zinc/38/90/86/1111389086.db2.gz ZROBSXFCSXKQIJ-KRWDZBQOSA-N 2 2 317.477 3.196 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C)cc2F)cn1 ZINC001308210569 1111398531 /nfs/dbraw/zinc/39/85/31/1111398531.db2.gz GOBUEILUTPIBAQ-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC001308218110 1111400062 /nfs/dbraw/zinc/40/00/62/1111400062.db2.gz SMYIAXPRJGOELK-INIZCTEOSA-N 2 2 305.397 3.235 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C2 ZINC001308292775 1111412376 /nfs/dbraw/zinc/41/23/76/1111412376.db2.gz DYXWAUZUDARUOQ-DOTOQJQBSA-N 2 2 302.462 3.017 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C2 ZINC001308292775 1111412378 /nfs/dbraw/zinc/41/23/78/1111412378.db2.gz DYXWAUZUDARUOQ-DOTOQJQBSA-N 2 2 302.462 3.017 20 0 DGADLP C[NH+](C)CCCOc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC001308322309 1111416475 /nfs/dbraw/zinc/41/64/75/1111416475.db2.gz VUDAZKVHJNSKIE-UHFFFAOYSA-N 2 2 324.428 3.277 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001308390028 1111424420 /nfs/dbraw/zinc/42/44/20/1111424420.db2.gz NECCDOABYHOTNP-UHFFFAOYSA-N 2 2 308.441 3.436 20 0 DGADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001308452999 1111430699 /nfs/dbraw/zinc/43/06/99/1111430699.db2.gz MRIXCQQKHWYOKW-QGZVFWFLSA-N 2 2 318.461 3.232 20 0 DGADLP CC[C@H](C)[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC001308744195 1111469127 /nfs/dbraw/zinc/46/91/27/1111469127.db2.gz FAMCCTYAUMDDON-FUHWJXTLSA-N 2 2 307.482 3.436 20 0 DGADLP CC(C)Cn1nccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001308883322 1111488283 /nfs/dbraw/zinc/48/82/83/1111488283.db2.gz VXHZSPJDEACWSK-WMZOPIPTSA-N 2 2 306.498 3.091 20 0 DGADLP CC(C)Cn1nccc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001308883322 1111488286 /nfs/dbraw/zinc/48/82/86/1111488286.db2.gz VXHZSPJDEACWSK-WMZOPIPTSA-N 2 2 306.498 3.091 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001308984311 1111505332 /nfs/dbraw/zinc/50/53/32/1111505332.db2.gz YOWDPWHMNRTAMH-OAHLLOKOSA-N 2 2 314.433 3.118 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001308984311 1111505334 /nfs/dbraw/zinc/50/53/34/1111505334.db2.gz YOWDPWHMNRTAMH-OAHLLOKOSA-N 2 2 314.433 3.118 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC001310834913 1111572935 /nfs/dbraw/zinc/57/29/35/1111572935.db2.gz QSZZTNMMUISFLG-CQSZACIVSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC001310834913 1111572937 /nfs/dbraw/zinc/57/29/37/1111572937.db2.gz QSZZTNMMUISFLG-CQSZACIVSA-N 2 2 304.438 3.001 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000278587779 214257733 /nfs/dbraw/zinc/25/77/33/214257733.db2.gz KTCDZZPOFLNLST-UHFFFAOYSA-N 2 2 317.820 3.482 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccccc1Br)Cn1cc[nH+]c1 ZINC000062254439 432003320 /nfs/dbraw/zinc/00/33/20/432003320.db2.gz JLELZZVIRZUIEL-LBPRGKRZSA-N 2 2 308.223 3.072 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000309672322 231102800 /nfs/dbraw/zinc/10/28/00/231102800.db2.gz UIDHFKMWNXGNKI-TXPKVOOTSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000309672322 231102806 /nfs/dbraw/zinc/10/28/06/231102806.db2.gz UIDHFKMWNXGNKI-TXPKVOOTSA-N 2 2 302.462 3.054 20 0 DGADLP CCc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc(C)[nH+]1 ZINC000302039229 529558426 /nfs/dbraw/zinc/55/84/26/529558426.db2.gz HECUGCGSXVNGFY-UHFFFAOYSA-N 2 2 311.364 3.284 20 0 DGADLP CCc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000434662876 529576020 /nfs/dbraw/zinc/57/60/20/529576020.db2.gz NGGDEIKLIQNTQH-UHFFFAOYSA-N 2 2 301.459 3.296 20 0 DGADLP CC[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCOC1 ZINC000442875980 529601846 /nfs/dbraw/zinc/60/18/46/529601846.db2.gz QDMWVLJHXFCKDP-MSOLQXFVSA-N 2 2 308.510 3.437 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000415064484 529611792 /nfs/dbraw/zinc/61/17/92/529611792.db2.gz KTQSLIOYBKQMLO-IBGZPJMESA-N 2 2 324.472 3.034 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)s1 ZINC000414398676 529634934 /nfs/dbraw/zinc/63/49/34/529634934.db2.gz WWLJGSIYQMUTNW-NSHDSACASA-N 2 2 312.870 3.442 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C)[C@H]1CCOC1 ZINC000443202104 529666605 /nfs/dbraw/zinc/66/66/05/529666605.db2.gz IYTYOBDPFFKURA-KCITZHQASA-N 2 2 304.478 3.391 20 0 DGADLP C[NH+]1CCN(c2cccc(Cl)c2CNc2cccc[nH+]2)CC1 ZINC000092372424 185314398 /nfs/dbraw/zinc/31/43/98/185314398.db2.gz TXEUPZAUWBJGLA-UHFFFAOYSA-N 2 2 316.836 3.099 20 0 DGADLP Cc1ncsc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587837 282232735 /nfs/dbraw/zinc/23/27/35/282232735.db2.gz MWXOAQZVSXVBOZ-MRXNPFEDSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1ncsc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092587837 282232737 /nfs/dbraw/zinc/23/27/37/282232737.db2.gz MWXOAQZVSXVBOZ-MRXNPFEDSA-N 2 2 307.507 3.395 20 0 DGADLP CCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OC ZINC000092648593 185331522 /nfs/dbraw/zinc/33/15/22/185331522.db2.gz BUWAFUXMBALYTO-UHFFFAOYSA-N 2 2 315.417 3.128 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)c(Br)c1 ZINC000181392656 199289786 /nfs/dbraw/zinc/28/97/86/199289786.db2.gz GKQDTJDJMSDNAO-NSHDSACASA-N 2 2 315.255 3.060 20 0 DGADLP CCc1ccc([C@H](C[NH2+]C2CC(OC(C)C)C2)[NH+](C)C)cc1 ZINC000428253924 529723676 /nfs/dbraw/zinc/72/36/76/529723676.db2.gz AGYYLVFNTLGDSD-ACBHZAAOSA-N 2 2 304.478 3.397 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428321735 529726051 /nfs/dbraw/zinc/72/60/51/529726051.db2.gz FRCDUXGCRMIDGL-HIFRSBDPSA-N 2 2 305.466 3.288 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428321735 529726052 /nfs/dbraw/zinc/72/60/52/529726052.db2.gz FRCDUXGCRMIDGL-HIFRSBDPSA-N 2 2 305.466 3.288 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2F)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442765863 530024829 /nfs/dbraw/zinc/02/48/29/530024829.db2.gz JBEKTOMVRMJKLX-PBWFPOADSA-N 2 2 315.392 3.196 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442765863 530024830 /nfs/dbraw/zinc/02/48/30/530024830.db2.gz JBEKTOMVRMJKLX-PBWFPOADSA-N 2 2 315.392 3.196 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H](O)c1ccccc1 ZINC000279645589 215028619 /nfs/dbraw/zinc/02/86/19/215028619.db2.gz JUEPCZAXYIPQPG-SKWUIDRYSA-N 2 2 302.462 3.104 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H](O)c1ccccc1 ZINC000279645589 215028622 /nfs/dbraw/zinc/02/86/22/215028622.db2.gz JUEPCZAXYIPQPG-SKWUIDRYSA-N 2 2 302.462 3.104 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644829 210047725 /nfs/dbraw/zinc/04/77/25/210047725.db2.gz OSTGTQRNNFEMBM-RHSMWYFYSA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644829 210047730 /nfs/dbraw/zinc/04/77/30/210047730.db2.gz OSTGTQRNNFEMBM-RHSMWYFYSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644829 210047731 /nfs/dbraw/zinc/04/77/31/210047731.db2.gz OSTGTQRNNFEMBM-RHSMWYFYSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)[C@@H]2C1 ZINC000272644829 210047736 /nfs/dbraw/zinc/04/77/36/210047736.db2.gz OSTGTQRNNFEMBM-RHSMWYFYSA-N 2 2 313.470 3.336 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000272637731 210041429 /nfs/dbraw/zinc/04/14/29/210041429.db2.gz NYWCWYAATNDRLV-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000272637731 210041431 /nfs/dbraw/zinc/04/14/31/210041431.db2.gz NYWCWYAATNDRLV-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OCC ZINC000272637731 210041433 /nfs/dbraw/zinc/04/14/33/210041433.db2.gz NYWCWYAATNDRLV-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OCC ZINC000272637731 210041436 /nfs/dbraw/zinc/04/14/36/210041436.db2.gz NYWCWYAATNDRLV-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000105480591 432018854 /nfs/dbraw/zinc/01/88/54/432018854.db2.gz JKBUCOMSLMSGMI-CJNGLKHVSA-N 2 2 301.459 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000105480591 432018855 /nfs/dbraw/zinc/01/88/55/432018855.db2.gz JKBUCOMSLMSGMI-CJNGLKHVSA-N 2 2 301.459 3.240 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000287006759 219266565 /nfs/dbraw/zinc/26/65/65/219266565.db2.gz KKXWLVHTNZAMPC-UHFFFAOYSA-N 2 2 320.864 3.241 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287052245 219287460 /nfs/dbraw/zinc/28/74/60/219287460.db2.gz SUHFGIKTIRNHSN-OAHLLOKOSA-N 2 2 314.832 3.241 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)ccc1OC(F)F ZINC000155725002 186106771 /nfs/dbraw/zinc/10/67/71/186106771.db2.gz KFJUZRSFEIDFTR-JTQLQIEISA-N 2 2 315.751 3.489 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3ccccc3)c2cc1C ZINC000182035578 199377252 /nfs/dbraw/zinc/37/72/52/199377252.db2.gz KIABQXGUWVABSR-FUHWJXTLSA-N 2 2 323.440 3.365 20 0 DGADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838259 186262229 /nfs/dbraw/zinc/26/22/29/186262229.db2.gz WOGDPYOWUNABNR-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838259 186262231 /nfs/dbraw/zinc/26/22/31/186262231.db2.gz WOGDPYOWUNABNR-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP [NH3+]Cc1cc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)co1 ZINC000188027292 186245615 /nfs/dbraw/zinc/24/56/15/186245615.db2.gz SVJMEFMNDANKAT-UHFFFAOYSA-N 2 2 324.384 3.067 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000106934458 432025665 /nfs/dbraw/zinc/02/56/65/432025665.db2.gz YXKDBXDOKGRRIR-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000106934458 432025667 /nfs/dbraw/zinc/02/56/67/432025667.db2.gz YXKDBXDOKGRRIR-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000106934458 432025669 /nfs/dbraw/zinc/02/56/69/432025669.db2.gz YXKDBXDOKGRRIR-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1cccc2c1C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000277234148 213385047 /nfs/dbraw/zinc/38/50/47/213385047.db2.gz OYERZWVSMBGOJM-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1cccc2c1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000277234148 213385050 /nfs/dbraw/zinc/38/50/50/213385050.db2.gz OYERZWVSMBGOJM-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC[NH+](C)C ZINC000072713420 191219580 /nfs/dbraw/zinc/21/95/80/191219580.db2.gz PYIUOZJICIFDBP-UHFFFAOYSA-N 2 2 324.831 3.015 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000277152468 213330511 /nfs/dbraw/zinc/33/05/11/213330511.db2.gz JROIFZBMOSMNGN-AWEZNQCLSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000277152468 213330515 /nfs/dbraw/zinc/33/05/15/213330515.db2.gz JROIFZBMOSMNGN-AWEZNQCLSA-N 2 2 317.408 3.397 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980908 191263637 /nfs/dbraw/zinc/26/36/37/191263637.db2.gz GMXHMUWWPNBXRW-GOSISDBHSA-N 2 2 312.461 3.179 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980908 191263638 /nfs/dbraw/zinc/26/36/38/191263638.db2.gz GMXHMUWWPNBXRW-GOSISDBHSA-N 2 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980908 191263641 /nfs/dbraw/zinc/26/36/41/191263641.db2.gz GMXHMUWWPNBXRW-GOSISDBHSA-N 2 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980908 191263642 /nfs/dbraw/zinc/26/36/42/191263642.db2.gz GMXHMUWWPNBXRW-GOSISDBHSA-N 2 2 312.461 3.179 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1SC ZINC000277136014 213319272 /nfs/dbraw/zinc/31/92/72/213319272.db2.gz ISYQZBQPXZPTCP-OAHLLOKOSA-N 2 2 308.491 3.333 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1SC ZINC000277136014 213319274 /nfs/dbraw/zinc/31/92/74/213319274.db2.gz ISYQZBQPXZPTCP-OAHLLOKOSA-N 2 2 308.491 3.333 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500616 432032265 /nfs/dbraw/zinc/03/22/65/432032265.db2.gz JXNVSOOTYIWZCV-OAHLLOKOSA-N 2 2 323.444 3.112 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000174224916 198308227 /nfs/dbraw/zinc/30/82/27/198308227.db2.gz VCWZVPAWUXXFGU-INIZCTEOSA-N 2 2 312.461 3.102 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nc3ccccc3nc2C)C1 ZINC000174224916 198308229 /nfs/dbraw/zinc/30/82/29/198308229.db2.gz VCWZVPAWUXXFGU-INIZCTEOSA-N 2 2 312.461 3.102 20 0 DGADLP CCCCc1noc(C[N@H+](C)CCCc2[nH+]ccn2CCC)n1 ZINC000277085381 213282008 /nfs/dbraw/zinc/28/20/08/213282008.db2.gz FPCTWEFXJXSLCH-UHFFFAOYSA-N 2 2 319.453 3.083 20 0 DGADLP CCCCc1noc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)n1 ZINC000277085381 213282011 /nfs/dbraw/zinc/28/20/11/213282011.db2.gz FPCTWEFXJXSLCH-UHFFFAOYSA-N 2 2 319.453 3.083 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCOC1 ZINC000163585585 432036592 /nfs/dbraw/zinc/03/65/92/432036592.db2.gz ACTCUGMQTUVNPU-ZBFHGGJFSA-N 2 2 322.880 3.319 20 0 DGADLP c1ccc([C@H]2C[C@H]2C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000163638664 432037345 /nfs/dbraw/zinc/03/73/45/432037345.db2.gz LOWKABWGNWRFJD-PZJWPPBQSA-N 2 2 321.468 3.439 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277019680 213243046 /nfs/dbraw/zinc/24/30/46/213243046.db2.gz AIDZMNUUNCCUPL-GOEBONIOSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277019680 213243048 /nfs/dbraw/zinc/24/30/48/213243048.db2.gz AIDZMNUUNCCUPL-GOEBONIOSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277019676 213243117 /nfs/dbraw/zinc/24/31/17/213243117.db2.gz AIDZMNUUNCCUPL-GDBMZVCRSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277019676 213243120 /nfs/dbraw/zinc/24/31/20/213243120.db2.gz AIDZMNUUNCCUPL-GDBMZVCRSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)nc1 ZINC000179101864 432041376 /nfs/dbraw/zinc/04/13/76/432041376.db2.gz LKRGBFNXAOCEEE-GFCCVEGCSA-N 2 2 300.793 3.276 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000163754542 432041569 /nfs/dbraw/zinc/04/15/69/432041569.db2.gz IKNVYMRLHVBCJU-INIZCTEOSA-N 2 2 314.429 3.271 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000163781455 432042326 /nfs/dbraw/zinc/04/23/26/432042326.db2.gz HDQDASYUMQZYFS-CQSZACIVSA-N 2 2 312.417 3.193 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)o1 ZINC000067976652 432047880 /nfs/dbraw/zinc/04/78/80/432047880.db2.gz QPHJOCAHAVAYEE-MRXNPFEDSA-N 2 2 314.429 3.099 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)o1 ZINC000067976652 432047883 /nfs/dbraw/zinc/04/78/83/432047883.db2.gz QPHJOCAHAVAYEE-MRXNPFEDSA-N 2 2 314.429 3.099 20 0 DGADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000165331747 432055916 /nfs/dbraw/zinc/05/59/16/432055916.db2.gz DYGVESGQGIROQB-FUHWJXTLSA-N 2 2 301.478 3.462 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)C ZINC000165384133 432055952 /nfs/dbraw/zinc/05/59/52/432055952.db2.gz YOQMWSAZMMJQOR-GOSISDBHSA-N 2 2 308.441 3.051 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)n1-c1ccccc1 ZINC000081292510 192246409 /nfs/dbraw/zinc/24/64/09/192246409.db2.gz KUCDNLQSDSTQIW-SFHVURJKSA-N 2 2 324.428 3.166 20 0 DGADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000165331747 432055914 /nfs/dbraw/zinc/05/59/14/432055914.db2.gz DYGVESGQGIROQB-FUHWJXTLSA-N 2 2 301.478 3.462 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271373 432060230 /nfs/dbraw/zinc/06/02/30/432060230.db2.gz IJLSEVAUJMQOKU-LXZKKBNFSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000166271373 432060232 /nfs/dbraw/zinc/06/02/32/432060232.db2.gz IJLSEVAUJMQOKU-LXZKKBNFSA-N 2 2 318.461 3.370 20 0 DGADLP CCC[NH+](CCC)CCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287550749 219580469 /nfs/dbraw/zinc/58/04/69/219580469.db2.gz OXACIBQIYNUOGQ-UHFFFAOYSA-N 2 2 306.454 3.332 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cnn(C)c1 ZINC000167859485 432066674 /nfs/dbraw/zinc/06/66/74/432066674.db2.gz MBAPEZKWIQSRFJ-GJZGRUSLSA-N 2 2 300.450 3.200 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857169 432066906 /nfs/dbraw/zinc/06/69/06/432066906.db2.gz FYLMHXSAEGCEMJ-DFEOGRTESA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857169 432066909 /nfs/dbraw/zinc/06/69/09/432066909.db2.gz FYLMHXSAEGCEMJ-DFEOGRTESA-N 3 2 317.521 3.434 20 0 DGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CCOC1 ZINC000179841789 432071803 /nfs/dbraw/zinc/07/18/03/432071803.db2.gz AEERTFSSZMRKCY-HZPDHXFCSA-N 2 2 317.477 3.054 20 0 DGADLP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1OC(C)C ZINC000179832400 199086030 /nfs/dbraw/zinc/08/60/30/199086030.db2.gz CMOKBCJEOHAAOE-UHFFFAOYSA-N 2 2 320.477 3.445 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000179874806 199090980 /nfs/dbraw/zinc/09/09/80/199090980.db2.gz BHBMREAFRNUSOJ-UHFFFAOYSA-N 2 2 324.428 3.308 20 0 DGADLP COc1ccc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000179955179 199098597 /nfs/dbraw/zinc/09/85/97/199098597.db2.gz AROVUMIKHZFFHO-MRXNPFEDSA-N 2 2 307.397 3.332 20 0 DGADLP COc1ccc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000179955179 199098599 /nfs/dbraw/zinc/09/85/99/199098599.db2.gz AROVUMIKHZFFHO-MRXNPFEDSA-N 2 2 307.397 3.332 20 0 DGADLP CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180481130 199164115 /nfs/dbraw/zinc/16/41/15/199164115.db2.gz OSNKOKMUGKDFJV-GOSISDBHSA-N 2 2 309.413 3.107 20 0 DGADLP CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180481130 199164117 /nfs/dbraw/zinc/16/41/17/199164117.db2.gz OSNKOKMUGKDFJV-GOSISDBHSA-N 2 2 309.413 3.107 20 0 DGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000276629251 213011848 /nfs/dbraw/zinc/01/18/48/213011848.db2.gz SIAGFYULRHDSPL-CMDGGOBGSA-N 2 2 324.428 3.090 20 0 DGADLP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415042488 237026533 /nfs/dbraw/zinc/02/65/33/237026533.db2.gz QXPZPOSPADXPLP-YOEHRIQHSA-N 3 2 321.896 3.021 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000415110957 237084535 /nfs/dbraw/zinc/08/45/35/237084535.db2.gz PUMQSYMSXVJSDV-GOSISDBHSA-N 2 2 314.404 3.042 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CCCO1 ZINC000415110957 237084545 /nfs/dbraw/zinc/08/45/45/237084545.db2.gz PUMQSYMSXVJSDV-GOSISDBHSA-N 2 2 314.404 3.042 20 0 DGADLP Cc1ccc([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000415122224 237093294 /nfs/dbraw/zinc/09/32/94/237093294.db2.gz NXXSWFHPKFULPK-BRWVUGGUSA-N 2 2 318.461 3.353 20 0 DGADLP COC1CCC([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000186880093 200025960 /nfs/dbraw/zinc/02/59/60/200025960.db2.gz VVGAISZKDBPWQF-MHJFOBGBSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CCC([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186880093 200025962 /nfs/dbraw/zinc/02/59/62/200025962.db2.gz VVGAISZKDBPWQF-MHJFOBGBSA-N 2 2 316.489 3.444 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)cc1F)C1CCCC1 ZINC000415068931 283454150 /nfs/dbraw/zinc/45/41/50/283454150.db2.gz RSNFBYRBUUKKNU-CQSZACIVSA-N 2 2 315.230 3.195 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000237584700 202293826 /nfs/dbraw/zinc/29/38/26/202293826.db2.gz IJRFRRWCVJBXSO-GOSISDBHSA-N 2 2 324.468 3.412 20 0 DGADLP C[C@@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCCC[NH2+]1 ZINC000237627472 202311128 /nfs/dbraw/zinc/31/11/28/202311128.db2.gz KTKHNAVQESLOIG-SFHVURJKSA-N 2 2 311.385 3.345 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423104376 296001784 /nfs/dbraw/zinc/00/17/84/296001784.db2.gz MAFMGIPXAMRNBT-WMLDXEAASA-N 2 2 300.450 3.006 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000134785117 432086071 /nfs/dbraw/zinc/08/60/71/432086071.db2.gz AKXPUGLUVRJGAJ-QZHFEQFPSA-N 2 2 323.440 3.481 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1Cl ZINC000422711537 237790973 /nfs/dbraw/zinc/79/09/73/237790973.db2.gz HBWJEPRUBFEXOT-RYUDHWBXSA-N 2 2 303.631 3.072 20 0 DGADLP COCc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1F ZINC000422758877 237795172 /nfs/dbraw/zinc/79/51/72/237795172.db2.gz JIHHVFWFDBHYTA-ROUUACIJSA-N 2 2 300.377 3.207 20 0 DGADLP Cc1nc(C(C)C)oc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000428957681 238036274 /nfs/dbraw/zinc/03/62/74/238036274.db2.gz AKWXSOUHYHZUCG-UHFFFAOYSA-N 2 2 314.433 3.132 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714733 238058935 /nfs/dbraw/zinc/05/89/35/238058935.db2.gz HGKBSYWVNLFMBC-GGPKGHCWSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714733 238058937 /nfs/dbraw/zinc/05/89/37/238058937.db2.gz HGKBSYWVNLFMBC-GGPKGHCWSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557512 238079612 /nfs/dbraw/zinc/07/96/12/238079612.db2.gz WUQUUBMPQHDZFY-QWHCGFSZSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557512 238079613 /nfs/dbraw/zinc/07/96/13/238079613.db2.gz WUQUUBMPQHDZFY-QWHCGFSZSA-N 2 2 303.381 3.040 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430617896 238081834 /nfs/dbraw/zinc/08/18/34/238081834.db2.gz PVQPGQHVRNDDJX-CYBMUJFWSA-N 2 2 319.836 3.474 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430617896 238081835 /nfs/dbraw/zinc/08/18/35/238081835.db2.gz PVQPGQHVRNDDJX-CYBMUJFWSA-N 2 2 319.836 3.474 20 0 DGADLP c1cn(C2CCCC2)nc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431145936 238095147 /nfs/dbraw/zinc/09/51/47/238095147.db2.gz JSELKBRVEOCVBU-SFHVURJKSA-N 2 2 312.417 3.047 20 0 DGADLP c1cn(C2CCCC2)nc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431145936 238095148 /nfs/dbraw/zinc/09/51/48/238095148.db2.gz JSELKBRVEOCVBU-SFHVURJKSA-N 2 2 312.417 3.047 20 0 DGADLP Cc1nc(C[NH+]2CCC([NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000430645147 238082360 /nfs/dbraw/zinc/08/23/60/238082360.db2.gz OAIQMARAIMVAFF-UHFFFAOYSA-N 2 2 305.809 3.227 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000430876577 238088652 /nfs/dbraw/zinc/08/86/52/238088652.db2.gz RJNWRVJYDNKVDL-HOTGVXAUSA-N 2 2 312.417 3.313 20 0 DGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000430934118 238090055 /nfs/dbraw/zinc/09/00/55/238090055.db2.gz NQMVIWIUFQLIDC-ZDUSSCGKSA-N 2 2 321.877 3.168 20 0 DGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000430934118 238090056 /nfs/dbraw/zinc/09/00/56/238090056.db2.gz NQMVIWIUFQLIDC-ZDUSSCGKSA-N 2 2 321.877 3.168 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)sc2C1 ZINC000432783866 238135999 /nfs/dbraw/zinc/13/59/99/238135999.db2.gz DHLHGMYONHLDNJ-KGLIPLIRSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)sc2C1 ZINC000432783866 238136000 /nfs/dbraw/zinc/13/60/00/238136000.db2.gz DHLHGMYONHLDNJ-KGLIPLIRSA-N 2 2 307.507 3.184 20 0 DGADLP Clc1cnccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134927853 432091556 /nfs/dbraw/zinc/09/15/56/432091556.db2.gz NHBMEYFYWDJMJD-RHSMWYFYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134927853 432091562 /nfs/dbraw/zinc/09/15/62/432091562.db2.gz NHBMEYFYWDJMJD-RHSMWYFYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cnccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134927853 432091566 /nfs/dbraw/zinc/09/15/66/432091566.db2.gz NHBMEYFYWDJMJD-RHSMWYFYSA-N 2 2 305.853 3.184 20 0 DGADLP C[N@H+](CC[NH2+][C@@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000281286282 216212826 /nfs/dbraw/zinc/21/28/26/216212826.db2.gz QDUAQMWYCUATHP-LJQANCHMSA-N 2 2 313.420 3.393 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H](c1cncc(F)c1)C1CC1)Cc1ccccc1 ZINC000281286282 216212828 /nfs/dbraw/zinc/21/28/28/216212828.db2.gz QDUAQMWYCUATHP-LJQANCHMSA-N 2 2 313.420 3.393 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000271989070 209363758 /nfs/dbraw/zinc/36/37/58/209363758.db2.gz PUTNLHBIWUXRKL-KRWDZBQOSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340470941 299316862 /nfs/dbraw/zinc/31/68/62/299316862.db2.gz SIMZRQUWIYIXLA-QXAKKESOSA-N 2 2 302.462 3.371 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1cccc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435420168 238303114 /nfs/dbraw/zinc/30/31/14/238303114.db2.gz ASOIUNFCACHYBE-QGZVFWFLSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1cccc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435420168 238303118 /nfs/dbraw/zinc/30/31/18/238303118.db2.gz ASOIUNFCACHYBE-QGZVFWFLSA-N 2 2 315.486 3.372 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435421964 238303254 /nfs/dbraw/zinc/30/32/54/238303254.db2.gz JXNIWMBACCGYIO-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000435421964 238303258 /nfs/dbraw/zinc/30/32/58/238303258.db2.gz JXNIWMBACCGYIO-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP c1cn2c(cccc2CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000435730136 238343710 /nfs/dbraw/zinc/34/37/10/238343710.db2.gz XEXSZWYKSLATPF-KRWDZBQOSA-N 2 2 312.461 3.221 20 0 DGADLP c1cn2c(cccc2CNC[C@@H]2CCC[N@H+]2C2CCCCC2)[nH+]1 ZINC000435730136 238343712 /nfs/dbraw/zinc/34/37/12/238343712.db2.gz XEXSZWYKSLATPF-KRWDZBQOSA-N 2 2 312.461 3.221 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921265 283620157 /nfs/dbraw/zinc/62/01/57/283620157.db2.gz PKFRZPDORKOBCN-STQMWFEESA-N 2 2 302.340 3.177 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000193983052 201157210 /nfs/dbraw/zinc/15/72/10/201157210.db2.gz DKXCZJFSYPTAQG-GOSISDBHSA-N 2 2 322.880 3.492 20 0 DGADLP C=Cn1cc(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000194037768 201166978 /nfs/dbraw/zinc/16/69/78/201166978.db2.gz NDOFZUVJKXPICV-LJQANCHMSA-N 2 2 324.472 3.328 20 0 DGADLP C=Cn1cc(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000194037768 201166980 /nfs/dbraw/zinc/16/69/80/201166980.db2.gz NDOFZUVJKXPICV-LJQANCHMSA-N 2 2 324.472 3.328 20 0 DGADLP C=Cn1cc(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000194037768 201166983 /nfs/dbraw/zinc/16/69/83/201166983.db2.gz NDOFZUVJKXPICV-LJQANCHMSA-N 2 2 324.472 3.328 20 0 DGADLP C=Cn1cc(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000194037768 201166986 /nfs/dbraw/zinc/16/69/86/201166986.db2.gz NDOFZUVJKXPICV-LJQANCHMSA-N 2 2 324.472 3.328 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000194088891 201175598 /nfs/dbraw/zinc/17/55/98/201175598.db2.gz AYFGGRADOADZJE-QGZVFWFLSA-N 2 2 310.869 3.490 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000246128632 432098985 /nfs/dbraw/zinc/09/89/85/432098985.db2.gz OTZOCVYIUKVBSG-BPQIPLTHSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000246128632 432098990 /nfs/dbraw/zinc/09/89/90/432098990.db2.gz OTZOCVYIUKVBSG-BPQIPLTHSA-N 2 2 302.462 3.369 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21)N(C)C ZINC000442989369 239160202 /nfs/dbraw/zinc/16/02/02/239160202.db2.gz JUWBFBXFHHOENV-OXQOHEQNSA-N 2 2 322.456 3.424 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC[C@H]1C ZINC000195120079 201342548 /nfs/dbraw/zinc/34/25/48/201342548.db2.gz XEHXXUYZJCYYRG-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC[C@H]1C ZINC000195120079 201342551 /nfs/dbraw/zinc/34/25/51/201342551.db2.gz XEHXXUYZJCYYRG-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP FC(F)(F)c1ncc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000444007054 239249888 /nfs/dbraw/zinc/24/98/88/239249888.db2.gz ZUEYTLCJIVQQPM-UHFFFAOYSA-N 2 2 316.352 3.149 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc[nH+]c3ccncc23)C1 ZINC000444117273 239259792 /nfs/dbraw/zinc/25/97/92/239259792.db2.gz IXCLASFAOKZQJD-HOTGVXAUSA-N 2 2 312.461 3.222 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275476450 212356675 /nfs/dbraw/zinc/35/66/75/212356675.db2.gz DIEBMSUVNSVDCE-CXAGYDPISA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275476450 212356679 /nfs/dbraw/zinc/35/66/79/212356679.db2.gz DIEBMSUVNSVDCE-CXAGYDPISA-N 2 2 319.836 3.307 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1cccc(OC)c1 ZINC000449069121 240000095 /nfs/dbraw/zinc/00/00/95/240000095.db2.gz WDIKXWHAPVMGJB-ILRDRHFLSA-N 2 2 320.477 3.234 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc3ccoc32)C[C@@H](C)O1 ZINC000449068377 240000368 /nfs/dbraw/zinc/00/03/68/240000368.db2.gz BETRYZQUBMZZDZ-HUUCEWRRSA-N 2 2 302.418 3.022 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449190476 240058983 /nfs/dbraw/zinc/05/89/83/240058983.db2.gz IWOSKUSDDNBOSI-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449190476 240058988 /nfs/dbraw/zinc/05/89/88/240058988.db2.gz IWOSKUSDDNBOSI-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCC34CCC4)[nH+]c2)C1 ZINC000449202510 240066715 /nfs/dbraw/zinc/06/67/15/240066715.db2.gz FTTITMGEJLSZIY-IRXDYDNUSA-N 2 2 314.477 3.357 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449233030 240081839 /nfs/dbraw/zinc/08/18/39/240081839.db2.gz WZKWVIKUHUBXGN-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449233030 240081846 /nfs/dbraw/zinc/08/18/46/240081846.db2.gz WZKWVIKUHUBXGN-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccon2)CC1 ZINC000449234263 240082006 /nfs/dbraw/zinc/08/20/06/240082006.db2.gz BAAROKUKFFPREI-HOTGVXAUSA-N 2 2 313.445 3.421 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCC(OC3CCCC3)CC1)CC2 ZINC000449256664 240094351 /nfs/dbraw/zinc/09/43/51/240094351.db2.gz FEVRGMUHYWBYSR-CKDBGZEDSA-N 2 2 303.450 3.058 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000449348536 240148196 /nfs/dbraw/zinc/14/81/96/240148196.db2.gz BUGXDCSGCDNEQS-CYBMUJFWSA-N 2 2 305.809 3.042 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@H]1CCCOC1 ZINC000449350921 240149719 /nfs/dbraw/zinc/14/97/19/240149719.db2.gz MBLKCEPFACTYNP-CYBMUJFWSA-N 2 2 305.809 3.042 20 0 DGADLP Cc1ccn2c(C[NH+]3CCC4(CCC(O)CC4)CC3)c[nH+]c2c1 ZINC000449368625 240159685 /nfs/dbraw/zinc/15/96/85/240159685.db2.gz LMEGGUKJPUCNDL-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449390237 240171917 /nfs/dbraw/zinc/17/19/17/240171917.db2.gz VLTQFHWJJKAAMM-MPGHIAIKSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449390237 240171924 /nfs/dbraw/zinc/17/19/24/240171924.db2.gz VLTQFHWJJKAAMM-MPGHIAIKSA-N 2 2 324.896 3.268 20 0 DGADLP Cc1cccnc1CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449489167 240242267 /nfs/dbraw/zinc/24/22/67/240242267.db2.gz OTMASTJOKLMQOP-PXNSSMCTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449489167 240242270 /nfs/dbraw/zinc/24/22/70/240242270.db2.gz OTMASTJOKLMQOP-PXNSSMCTSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)n2c1 ZINC000449515495 240262188 /nfs/dbraw/zinc/26/21/88/240262188.db2.gz ZRAQFOLCSNEEDX-WMZOPIPTSA-N 2 2 303.450 3.021 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H](C)O ZINC000449543033 240275466 /nfs/dbraw/zinc/27/54/66/240275466.db2.gz NQAMYTHFNHKOMK-DYVFJYSZSA-N 2 2 310.869 3.053 20 0 DGADLP CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629488 240331591 /nfs/dbraw/zinc/33/15/91/240331591.db2.gz FWVKRFIODAKYII-MSOLQXFVSA-N 2 2 311.429 3.262 20 0 DGADLP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629488 240331592 /nfs/dbraw/zinc/33/15/92/240331592.db2.gz FWVKRFIODAKYII-MSOLQXFVSA-N 2 2 311.429 3.262 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OCCOC(C)C)CC1 ZINC000449731024 240387912 /nfs/dbraw/zinc/38/79/12/240387912.db2.gz UCNVQVNCROOQAW-UHFFFAOYSA-N 2 2 320.477 3.229 20 0 DGADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCC1 ZINC000449740315 240393452 /nfs/dbraw/zinc/39/34/52/240393452.db2.gz OJSCCDLUEOQYFQ-SFHVURJKSA-N 2 2 322.880 3.055 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc2ccc(Cl)cc2n1C ZINC000091261944 193028185 /nfs/dbraw/zinc/02/81/85/193028185.db2.gz RZFZPMRUEGQQBZ-LBPRGKRZSA-N 2 2 317.824 3.164 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000091367802 193048039 /nfs/dbraw/zinc/04/80/39/193048039.db2.gz VENBTFQHIOCENT-KKUMJFAQSA-N 2 2 300.450 3.097 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Br)c(C)c2)C1 ZINC000091472025 193061722 /nfs/dbraw/zinc/06/17/22/193061722.db2.gz NSZJICXLALKCNG-CQSZACIVSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(C)c2)C1 ZINC000091472025 193061724 /nfs/dbraw/zinc/06/17/24/193061724.db2.gz NSZJICXLALKCNG-CQSZACIVSA-N 2 2 311.267 3.189 20 0 DGADLP Fc1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000091676302 193089191 /nfs/dbraw/zinc/08/91/91/193089191.db2.gz KZNGNORJFFGHNJ-UHFFFAOYSA-N 2 2 323.799 3.392 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000180959190 432107447 /nfs/dbraw/zinc/10/74/47/432107447.db2.gz BEWOHRRZLFBMAK-UHFFFAOYSA-N 2 2 323.444 3.169 20 0 DGADLP C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246253462 432112184 /nfs/dbraw/zinc/11/21/84/432112184.db2.gz JTSUNPUTFCGSGG-RHSMWYFYSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246253462 432112187 /nfs/dbraw/zinc/11/21/87/432112187.db2.gz JTSUNPUTFCGSGG-RHSMWYFYSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271294 212238368 /nfs/dbraw/zinc/23/83/68/212238368.db2.gz QNHZHKCUOVDBKQ-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc(Br)c1 ZINC000275271294 212238371 /nfs/dbraw/zinc/23/83/71/212238371.db2.gz QNHZHKCUOVDBKQ-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc(Br)c1 ZINC000275271294 212238374 /nfs/dbraw/zinc/23/83/74/212238374.db2.gz QNHZHKCUOVDBKQ-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc(Br)c1 ZINC000275271294 212238378 /nfs/dbraw/zinc/23/83/78/212238378.db2.gz QNHZHKCUOVDBKQ-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP CCC[NH+]1CCC(N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455501344 242217685 /nfs/dbraw/zinc/21/76/85/242217685.db2.gz UKFNOQUWAJBYQG-UHFFFAOYSA-N 2 2 318.465 3.345 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000455506657 242219446 /nfs/dbraw/zinc/21/94/46/242219446.db2.gz YKHGAWYESBRGJY-MRXNPFEDSA-N 2 2 318.465 3.202 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000455506657 242219448 /nfs/dbraw/zinc/21/94/48/242219448.db2.gz YKHGAWYESBRGJY-MRXNPFEDSA-N 2 2 318.465 3.202 20 0 DGADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455535385 242227778 /nfs/dbraw/zinc/22/77/78/242227778.db2.gz VBLNJBAGDKXMEP-UHFFFAOYSA-N 2 2 318.465 3.347 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC000092165363 193169459 /nfs/dbraw/zinc/16/94/59/193169459.db2.gz QMGWNIGUPSVAOV-UHFFFAOYSA-N 2 2 315.383 3.407 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC000092165363 193169461 /nfs/dbraw/zinc/16/94/61/193169461.db2.gz QMGWNIGUPSVAOV-UHFFFAOYSA-N 2 2 315.383 3.407 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC000092165273 193169850 /nfs/dbraw/zinc/16/98/50/193169850.db2.gz JVCNSUIIQKFJFN-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC000092165273 193169852 /nfs/dbraw/zinc/16/98/52/193169852.db2.gz JVCNSUIIQKFJFN-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663953 284013787 /nfs/dbraw/zinc/01/37/87/284013787.db2.gz WYJRIDZTBJMVEP-INIZCTEOSA-N 2 2 322.880 3.111 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663953 284013790 /nfs/dbraw/zinc/01/37/90/284013790.db2.gz WYJRIDZTBJMVEP-INIZCTEOSA-N 2 2 322.880 3.111 20 0 DGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000459334405 243337969 /nfs/dbraw/zinc/33/79/69/243337969.db2.gz FBIWRKBAGXAAPS-MSOLQXFVSA-N 2 2 319.493 3.412 20 0 DGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000459334405 243337971 /nfs/dbraw/zinc/33/79/71/243337971.db2.gz FBIWRKBAGXAAPS-MSOLQXFVSA-N 2 2 319.493 3.412 20 0 DGADLP COc1c(C)cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1C ZINC000470017191 244140672 /nfs/dbraw/zinc/14/06/72/244140672.db2.gz ICEKUFXBTLNFSH-UHFFFAOYSA-N 2 2 302.462 3.276 20 0 DGADLP CCCC[N@H+](CC)Cc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000471746000 244239325 /nfs/dbraw/zinc/23/93/25/244239325.db2.gz IJOFRQDFQAFLKP-UHFFFAOYSA-N 2 2 312.461 3.441 20 0 DGADLP CCCC[N@@H+](CC)Cc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000471746000 244239330 /nfs/dbraw/zinc/23/93/30/244239330.db2.gz IJOFRQDFQAFLKP-UHFFFAOYSA-N 2 2 312.461 3.441 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029907 212083198 /nfs/dbraw/zinc/08/31/98/212083198.db2.gz BUJPJVCERCFQLC-BEFAXECRSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029907 212083199 /nfs/dbraw/zinc/08/31/99/212083199.db2.gz BUJPJVCERCFQLC-BEFAXECRSA-N 2 2 313.420 3.221 20 0 DGADLP CCC(CC)(C[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262598680 203345360 /nfs/dbraw/zinc/34/53/60/203345360.db2.gz NATDZTLKQIZMJC-UHFFFAOYSA-N 2 2 313.401 3.121 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1nccs1 ZINC000093371577 193241174 /nfs/dbraw/zinc/24/11/74/193241174.db2.gz WPRXDKMJIFTJFE-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1nccs1 ZINC000093371577 193241176 /nfs/dbraw/zinc/24/11/76/193241176.db2.gz WPRXDKMJIFTJFE-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597216 193272596 /nfs/dbraw/zinc/27/25/96/193272596.db2.gz VVKSKEPDFYMKKL-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597216 193272597 /nfs/dbraw/zinc/27/25/97/193272597.db2.gz VVKSKEPDFYMKKL-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)ccc1OC ZINC000093693221 193290675 /nfs/dbraw/zinc/29/06/75/193290675.db2.gz SOWXCIAETHJVII-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)ccc1OC ZINC000093693221 193290677 /nfs/dbraw/zinc/29/06/77/193290677.db2.gz SOWXCIAETHJVII-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CC[N@@H+](Cc1c[nH]nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818862 193312769 /nfs/dbraw/zinc/31/27/69/193312769.db2.gz WDOVZZWERAHMMY-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1c[nH]nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818862 193312771 /nfs/dbraw/zinc/31/27/71/193312771.db2.gz WDOVZZWERAHMMY-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1c[nH]nc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818862 193312773 /nfs/dbraw/zinc/31/27/73/193312773.db2.gz WDOVZZWERAHMMY-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1c[nH]nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818862 193312774 /nfs/dbraw/zinc/31/27/74/193312774.db2.gz WDOVZZWERAHMMY-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP C[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)CC(C)(C)C[NH3+] ZINC000093874071 193322168 /nfs/dbraw/zinc/32/21/68/193322168.db2.gz JTODJMVDOVWGOW-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)CC(C)(C)C[NH3+] ZINC000093874071 193322170 /nfs/dbraw/zinc/32/21/70/193322170.db2.gz JTODJMVDOVWGOW-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000282361747 216937882 /nfs/dbraw/zinc/93/78/82/216937882.db2.gz HSEXKRJLNOGHNN-UHFFFAOYSA-N 2 2 317.296 3.473 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C/C=C/c1ccncc1 ZINC000486969408 245006737 /nfs/dbraw/zinc/00/67/37/245006737.db2.gz KYFGUYPRHCNINO-GQCTYLIASA-N 2 2 306.413 3.433 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000486980362 245007289 /nfs/dbraw/zinc/00/72/89/245007289.db2.gz MRILHHYLUNULDV-GORDUTHDSA-N 2 2 304.397 3.129 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000122296129 284216590 /nfs/dbraw/zinc/21/65/90/284216590.db2.gz AFTGCJGRTSNTBZ-BXUZGUMPSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000122296129 284216596 /nfs/dbraw/zinc/21/65/96/284216596.db2.gz AFTGCJGRTSNTBZ-BXUZGUMPSA-N 2 2 309.251 3.164 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314516 245177115 /nfs/dbraw/zinc/17/71/15/245177115.db2.gz OFDCHSAKZUCBSO-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314516 245177121 /nfs/dbraw/zinc/17/71/21/245177121.db2.gz OFDCHSAKZUCBSO-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314516 245177124 /nfs/dbraw/zinc/17/71/24/245177124.db2.gz OFDCHSAKZUCBSO-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccc(F)cc4[nH]3)CC[C@H]21 ZINC000488314516 245177128 /nfs/dbraw/zinc/17/71/28/245177128.db2.gz OFDCHSAKZUCBSO-KBXCAEBGSA-N 2 2 301.409 3.223 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000488457642 245197651 /nfs/dbraw/zinc/19/76/51/245197651.db2.gz LYIZRIJHDAPYSP-BQFCYCMXSA-N 2 2 302.462 3.132 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)no1 ZINC000282596431 217113766 /nfs/dbraw/zinc/11/37/66/217113766.db2.gz XNEZHJCWESWJPG-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)no1 ZINC000282596431 217113768 /nfs/dbraw/zinc/11/37/68/217113768.db2.gz XNEZHJCWESWJPG-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP c1c[nH+]c([C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2ccccc2)[nH]1 ZINC000127456206 284340318 /nfs/dbraw/zinc/34/03/18/284340318.db2.gz BJSVCPQWLXQGNM-OALUTQOASA-N 2 2 324.472 3.353 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000127772651 284351201 /nfs/dbraw/zinc/35/12/01/284351201.db2.gz FQUJLIFFAPECJP-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246422061 432128232 /nfs/dbraw/zinc/12/82/32/432128232.db2.gz UBQKCNROBVYWHK-OLZOCXBDSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246422061 432128237 /nfs/dbraw/zinc/12/82/37/432128237.db2.gz UBQKCNROBVYWHK-OLZOCXBDSA-N 2 2 311.267 3.394 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000268763157 432128426 /nfs/dbraw/zinc/12/84/26/432128426.db2.gz IGEGPWDLNKDAKU-BBWFWOEESA-N 2 2 316.445 3.125 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000268763157 432128432 /nfs/dbraw/zinc/12/84/32/432128432.db2.gz IGEGPWDLNKDAKU-BBWFWOEESA-N 2 2 316.445 3.125 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC000129210282 284401785 /nfs/dbraw/zinc/40/17/85/284401785.db2.gz LFKSSFMTTBLCCA-APIJFGDWSA-N 2 2 322.415 3.196 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCOC)c1cccc(OC)c1 ZINC000268773460 432131077 /nfs/dbraw/zinc/13/10/77/432131077.db2.gz USHWCKZDAKMINQ-MAUKXSAKSA-N 2 2 308.466 3.093 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000493736396 246052927 /nfs/dbraw/zinc/05/29/27/246052927.db2.gz OBCLZNRXDQXDCC-SNRMKQJTSA-N 2 2 316.489 3.335 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000493736396 246052934 /nfs/dbraw/zinc/05/29/34/246052934.db2.gz OBCLZNRXDQXDCC-SNRMKQJTSA-N 2 2 316.489 3.335 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268788865 432134782 /nfs/dbraw/zinc/13/47/82/432134782.db2.gz CEUXGOZVGNUQGV-LSDHHAIUSA-N 3 2 309.417 3.117 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261591660 296237762 /nfs/dbraw/zinc/23/77/62/296237762.db2.gz XYIPRQVKFJJYQK-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261591660 296237765 /nfs/dbraw/zinc/23/77/65/296237765.db2.gz XYIPRQVKFJJYQK-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1F ZINC000042427243 183269387 /nfs/dbraw/zinc/26/93/87/183269387.db2.gz ACDKJJFUUYAYGY-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1F ZINC000042427243 183269389 /nfs/dbraw/zinc/26/93/89/183269389.db2.gz ACDKJJFUUYAYGY-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2Br)CC1 ZINC000042681377 183296202 /nfs/dbraw/zinc/29/62/02/183296202.db2.gz CWRMEEPRGIXARH-UHFFFAOYSA-N 2 2 311.267 3.365 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2Br)CC1 ZINC000042681377 183296205 /nfs/dbraw/zinc/29/62/05/183296205.db2.gz CWRMEEPRGIXARH-UHFFFAOYSA-N 2 2 311.267 3.365 20 0 DGADLP Oc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000105487404 194106042 /nfs/dbraw/zinc/10/60/42/194106042.db2.gz ZYLLWYSBDHIMTF-GOSISDBHSA-N 2 2 305.381 3.355 20 0 DGADLP Clc1ccc2[nH+]cc(C[NH+]3CCC4(CCOCC4)CC3)n2c1 ZINC000284935835 218241350 /nfs/dbraw/zinc/24/13/50/218241350.db2.gz HBBYIHJEVJPXNJ-UHFFFAOYSA-N 2 2 319.836 3.380 20 0 DGADLP COc1cccc([C@@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)c1 ZINC000106462543 194216682 /nfs/dbraw/zinc/21/66/82/194216682.db2.gz JDTZRLLLITVIQK-MRXNPFEDSA-N 2 2 314.433 3.323 20 0 DGADLP COCCc1cc[nH+]c(NCc2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000285195296 218328510 /nfs/dbraw/zinc/32/85/10/218328510.db2.gz NZCWTZNGJXKKCM-UHFFFAOYSA-N 2 2 314.433 3.122 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@H+]1C ZINC000156101572 197086684 /nfs/dbraw/zinc/08/66/84/197086684.db2.gz GFNAMHLLGGSAJW-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(F)c1F ZINC000245867894 284848962 /nfs/dbraw/zinc/84/89/62/284848962.db2.gz IWAUGXUQXDIDCZ-MGPQQGTHSA-N 2 2 312.404 3.115 20 0 DGADLP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268879123 207048105 /nfs/dbraw/zinc/04/81/05/207048105.db2.gz JSNCVAOLXDFVRS-GOSISDBHSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000268878707 207049536 /nfs/dbraw/zinc/04/95/36/207049536.db2.gz XGEKQTKFFONORG-WCQYABFASA-N 2 2 317.260 3.101 20 0 DGADLP C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268932282 207097857 /nfs/dbraw/zinc/09/78/57/207097857.db2.gz MJYNRYDSNWTLTC-INIZCTEOSA-N 2 2 313.445 3.466 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000112518387 194482029 /nfs/dbraw/zinc/48/20/29/194482029.db2.gz NJKWGWXLHZRPQM-ZDUSSCGKSA-N 2 2 302.422 3.071 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1F ZINC000119888437 195055627 /nfs/dbraw/zinc/05/56/27/195055627.db2.gz MRMITBNPDNEVMI-MCIONIFRSA-N 2 2 312.404 3.115 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119907418 195060492 /nfs/dbraw/zinc/06/04/92/195060492.db2.gz FHEZUYLFDPVPAO-ZACQAIPSSA-N 2 2 320.477 3.154 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)[nH]1 ZINC000336864287 253013231 /nfs/dbraw/zinc/01/32/31/253013231.db2.gz QNHVMBVUBKOIBO-MRXNPFEDSA-N 2 2 303.450 3.471 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000270109701 208168078 /nfs/dbraw/zinc/16/80/78/208168078.db2.gz CZJMHLWXMZHVOU-GOSISDBHSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000270109701 208168085 /nfs/dbraw/zinc/16/80/85/208168085.db2.gz CZJMHLWXMZHVOU-GOSISDBHSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)CC3(C)C)c2cc1C ZINC000336872093 253015807 /nfs/dbraw/zinc/01/58/07/253015807.db2.gz OMMRWPKQFGDEME-BBRMVZONSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)CC3(C)C)c2cc1C ZINC000336872093 253015809 /nfs/dbraw/zinc/01/58/09/253015809.db2.gz OMMRWPKQFGDEME-BBRMVZONSA-N 2 2 315.461 3.134 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337275503 253076588 /nfs/dbraw/zinc/07/65/88/253076588.db2.gz QKXZJVFHGGNRHS-AWEZNQCLSA-N 2 2 323.868 3.085 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337275503 253076591 /nfs/dbraw/zinc/07/65/91/253076591.db2.gz QKXZJVFHGGNRHS-AWEZNQCLSA-N 2 2 323.868 3.085 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249720082 285085424 /nfs/dbraw/zinc/08/54/24/285085424.db2.gz LQZIXHVUZJMTJK-DLBZAZTESA-N 2 2 315.461 3.279 20 0 DGADLP CC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249720082 285085426 /nfs/dbraw/zinc/08/54/26/285085426.db2.gz LQZIXHVUZJMTJK-DLBZAZTESA-N 2 2 315.461 3.279 20 0 DGADLP FC(F)O[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000337311890 253084022 /nfs/dbraw/zinc/08/40/22/253084022.db2.gz VLJHCTBJFJWILD-QWHCGFSZSA-N 2 2 313.373 3.184 20 0 DGADLP Cc1csc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000337603607 253146274 /nfs/dbraw/zinc/14/62/74/253146274.db2.gz CBHGSBXZTIBYQR-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338022938 253211485 /nfs/dbraw/zinc/21/14/85/253211485.db2.gz ZCAWXTIJOMFNBG-QAPCUYQASA-N 2 2 313.445 3.464 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000338294651 253259212 /nfs/dbraw/zinc/25/92/12/253259212.db2.gz KSSZPFQDLDXDRF-QUCCMNQESA-N 3 2 317.521 3.219 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000338294651 253259215 /nfs/dbraw/zinc/25/92/15/253259215.db2.gz KSSZPFQDLDXDRF-QUCCMNQESA-N 3 2 317.521 3.219 20 0 DGADLP CC[NH+]1CCC([N@H+](C)C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000338305930 253261040 /nfs/dbraw/zinc/26/10/40/253261040.db2.gz NQUMSQHCSSMWAZ-QGZVFWFLSA-N 2 2 310.869 3.444 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000338305930 253261042 /nfs/dbraw/zinc/26/10/42/253261042.db2.gz NQUMSQHCSSMWAZ-QGZVFWFLSA-N 2 2 310.869 3.444 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444771 253288674 /nfs/dbraw/zinc/28/86/74/253288674.db2.gz IXHBWGSTCDZGDW-RDJZCZTQSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338444771 253288675 /nfs/dbraw/zinc/28/86/75/253288675.db2.gz IXHBWGSTCDZGDW-RDJZCZTQSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c(-c2cnn(C)c2)c1 ZINC000338446851 253289846 /nfs/dbraw/zinc/28/98/46/253289846.db2.gz VPWOCCZDFVSSIZ-UHFFFAOYSA-N 2 2 324.472 3.137 20 0 DGADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c(-c2cnn(C)c2)c1 ZINC000338446851 253289848 /nfs/dbraw/zinc/28/98/48/253289848.db2.gz VPWOCCZDFVSSIZ-UHFFFAOYSA-N 2 2 324.472 3.137 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc[nH+]1 ZINC000338755599 253346154 /nfs/dbraw/zinc/34/61/54/253346154.db2.gz QKJGAKRVLONQCL-UHFFFAOYSA-N 2 2 310.445 3.231 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)[C@H](C)OC)ccc2n1C1CC1 ZINC000338790205 253351683 /nfs/dbraw/zinc/35/16/83/253351683.db2.gz WSTZXUYDBCYAJA-STQMWFEESA-N 2 2 301.434 3.447 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)[C@H](C)OC)ccc2n1C1CC1 ZINC000338790199 253351750 /nfs/dbraw/zinc/35/17/50/253351750.db2.gz WSTZXUYDBCYAJA-OLZOCXBDSA-N 2 2 301.434 3.447 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)CCOC)ccc2n1C1CC1 ZINC000338795678 253352537 /nfs/dbraw/zinc/35/25/37/253352537.db2.gz TWPVBYBAVPLGTP-CYBMUJFWSA-N 2 2 301.434 3.448 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ncc(Br)s1 ZINC000339683253 253506826 /nfs/dbraw/zinc/50/68/26/253506826.db2.gz XDVYNDYMSWVSNN-GUBZILKMSA-N 2 2 318.284 3.039 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ncc(Br)s1 ZINC000339683253 253506828 /nfs/dbraw/zinc/50/68/28/253506828.db2.gz XDVYNDYMSWVSNN-GUBZILKMSA-N 2 2 318.284 3.039 20 0 DGADLP Cn1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000158490800 197277349 /nfs/dbraw/zinc/27/73/49/197277349.db2.gz LACRKUCSGHZECM-UHFFFAOYSA-N 2 2 317.864 3.433 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2Cl)CCC1 ZINC000342140258 253933898 /nfs/dbraw/zinc/93/38/98/253933898.db2.gz OJADUVMWQSHNNR-UHFFFAOYSA-N 2 2 303.631 3.074 20 0 DGADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342595716 254015691 /nfs/dbraw/zinc/01/56/91/254015691.db2.gz MSAAWPKNSYQCAW-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342595716 254015693 /nfs/dbraw/zinc/01/56/93/254015693.db2.gz MSAAWPKNSYQCAW-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000342746735 254041815 /nfs/dbraw/zinc/04/18/15/254041815.db2.gz GXIXTTFRCNKRKZ-IUODEOHRSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000342746735 254041816 /nfs/dbraw/zinc/04/18/16/254041816.db2.gz GXIXTTFRCNKRKZ-IUODEOHRSA-N 2 2 302.447 3.300 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000342803306 254054346 /nfs/dbraw/zinc/05/43/46/254054346.db2.gz WZDBOXMRVMCSMV-OAHLLOKOSA-N 2 2 312.498 3.208 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000343111335 254101197 /nfs/dbraw/zinc/10/11/97/254101197.db2.gz VQCMFPRPMFGFRI-QWQRMKEZSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000343111335 254101198 /nfs/dbraw/zinc/10/11/98/254101198.db2.gz VQCMFPRPMFGFRI-QWQRMKEZSA-N 2 2 322.880 3.416 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000343562915 254161176 /nfs/dbraw/zinc/16/11/76/254161176.db2.gz KMWJKAYIOGIHSN-HNNXBMFYSA-N 2 2 319.474 3.363 20 0 DGADLP C[C@H]1CC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)C1 ZINC000343572676 254162610 /nfs/dbraw/zinc/16/26/10/254162610.db2.gz OVKVGVBINQEQSQ-HZPDHXFCSA-N 2 2 301.478 3.460 20 0 DGADLP c1sc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1C1CC1 ZINC000343600318 254166257 /nfs/dbraw/zinc/16/62/57/254166257.db2.gz FUCSKUWIYOTPNJ-CQSZACIVSA-N 2 2 301.415 3.069 20 0 DGADLP c1sc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1C1CC1 ZINC000343600318 254166259 /nfs/dbraw/zinc/16/62/59/254166259.db2.gz FUCSKUWIYOTPNJ-CQSZACIVSA-N 2 2 301.415 3.069 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703131 254179110 /nfs/dbraw/zinc/17/91/10/254179110.db2.gz ZKADMDYCSWUXFQ-AEFFLSMTSA-N 2 2 304.482 3.091 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703131 254179111 /nfs/dbraw/zinc/17/91/11/254179111.db2.gz ZKADMDYCSWUXFQ-AEFFLSMTSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@H](C[N@H+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703131 254179112 /nfs/dbraw/zinc/17/91/12/254179112.db2.gz ZKADMDYCSWUXFQ-AEFFLSMTSA-N 2 2 304.482 3.091 20 0 DGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CC=C(C)C)[C@H]1c1cnn(C)c1 ZINC000343703131 254179113 /nfs/dbraw/zinc/17/91/13/254179113.db2.gz ZKADMDYCSWUXFQ-AEFFLSMTSA-N 2 2 304.482 3.091 20 0 DGADLP C[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000343700861 254179242 /nfs/dbraw/zinc/17/92/42/254179242.db2.gz FIKQPGLIRMQCMU-HNNXBMFYSA-N 2 2 301.821 3.098 20 0 DGADLP C[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000343700861 254179244 /nfs/dbraw/zinc/17/92/44/254179244.db2.gz FIKQPGLIRMQCMU-HNNXBMFYSA-N 2 2 301.821 3.098 20 0 DGADLP Cc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000343732006 254181987 /nfs/dbraw/zinc/18/19/87/254181987.db2.gz HKNXWIVKIRGRDM-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP Cc1cccc(C[NH+](C)CCC[N@H+](C)Cc2cccc(C)n2)n1 ZINC000343732006 254181988 /nfs/dbraw/zinc/18/19/88/254181988.db2.gz HKNXWIVKIRGRDM-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)C1 ZINC000343892970 254200381 /nfs/dbraw/zinc/20/03/81/254200381.db2.gz QJRCAFFIHUKCNX-MAUKXSAKSA-N 2 2 317.477 3.101 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)C1 ZINC000343892970 254200383 /nfs/dbraw/zinc/20/03/83/254200383.db2.gz QJRCAFFIHUKCNX-MAUKXSAKSA-N 2 2 317.477 3.101 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC000343897467 254200550 /nfs/dbraw/zinc/20/05/50/254200550.db2.gz XZVQFFHTKROODS-ABAIWWIYSA-N 2 2 316.367 3.144 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC000343897467 254200552 /nfs/dbraw/zinc/20/05/52/254200552.db2.gz XZVQFFHTKROODS-ABAIWWIYSA-N 2 2 316.367 3.144 20 0 DGADLP CC(C)CO[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000344078473 254221704 /nfs/dbraw/zinc/22/17/04/254221704.db2.gz FWTXTQBFERMOAM-DLBZAZTESA-N 2 2 319.493 3.191 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc2c(ccc3ccccc23)o1 ZINC000344093854 254224344 /nfs/dbraw/zinc/22/43/44/254224344.db2.gz FLIRJPUGOHLKNZ-UKRRQHHQSA-N 2 2 312.413 3.159 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)CCC2 ZINC000344100622 254225213 /nfs/dbraw/zinc/22/52/13/254225213.db2.gz LBVRGLSXUBUNAN-NXOAAHMSSA-N 2 2 315.461 3.006 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C)CCC2 ZINC000344108399 254226920 /nfs/dbraw/zinc/22/69/20/254226920.db2.gz RNPKFEFNGSQWLK-BBWFWOEESA-N 2 2 319.493 3.498 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174364 254235422 /nfs/dbraw/zinc/23/54/22/254235422.db2.gz QQNJJZHENROSDV-MSOLQXFVSA-N 2 2 321.484 3.138 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000344174364 254235423 /nfs/dbraw/zinc/23/54/23/254235423.db2.gz QQNJJZHENROSDV-MSOLQXFVSA-N 2 2 321.484 3.138 20 0 DGADLP C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344223412 254241683 /nfs/dbraw/zinc/24/16/83/254241683.db2.gz PZWUPVAVMIQDDM-HNNXBMFYSA-N 2 2 307.397 3.299 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)C1 ZINC000344280400 254250247 /nfs/dbraw/zinc/25/02/47/254250247.db2.gz WIEVFUYGDMSZHK-MAUKXSAKSA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)C1 ZINC000344280400 254250248 /nfs/dbraw/zinc/25/02/48/254250248.db2.gz WIEVFUYGDMSZHK-MAUKXSAKSA-N 2 2 302.462 3.047 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(C)C ZINC000344625932 254290513 /nfs/dbraw/zinc/29/05/13/254290513.db2.gz KHNVTCWVGJYNFD-HOCLYGCPSA-N 2 2 306.450 3.055 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(C)C ZINC000344625932 254290514 /nfs/dbraw/zinc/29/05/14/254290514.db2.gz KHNVTCWVGJYNFD-HOCLYGCPSA-N 2 2 306.450 3.055 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332272 254257644 /nfs/dbraw/zinc/25/76/44/254257644.db2.gz YTIKWFSTMGGMFM-SWLSCSKDSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332272 254257646 /nfs/dbraw/zinc/25/76/46/254257646.db2.gz YTIKWFSTMGGMFM-SWLSCSKDSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332161 254258041 /nfs/dbraw/zinc/25/80/41/254258041.db2.gz YFOIQCSZJZXUSM-RISCZKNCSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332161 254258042 /nfs/dbraw/zinc/25/80/42/254258042.db2.gz YFOIQCSZJZXUSM-RISCZKNCSA-N 2 2 302.340 3.158 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3ncccc3c1)CCC2 ZINC000344544664 254281592 /nfs/dbraw/zinc/28/15/92/254281592.db2.gz RTEHWEHQYUSWNU-KRWDZBQOSA-N 2 2 306.413 3.407 20 0 DGADLP COc1cc[nH+]cc1CSCC[N@H+](C)Cc1ccccc1 ZINC000344579733 254284380 /nfs/dbraw/zinc/28/43/80/254284380.db2.gz HJEALZFEFQYEIP-UHFFFAOYSA-N 2 2 302.443 3.455 20 0 DGADLP COc1cc[nH+]cc1CSCC[N@@H+](C)Cc1ccccc1 ZINC000344579733 254284382 /nfs/dbraw/zinc/28/43/82/254284382.db2.gz HJEALZFEFQYEIP-UHFFFAOYSA-N 2 2 302.443 3.455 20 0 DGADLP COC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccc(F)cc1 ZINC000344592624 254286463 /nfs/dbraw/zinc/28/64/63/254286463.db2.gz AQVVXPFMYBQWKX-KRWDZBQOSA-N 2 2 313.376 3.259 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000344690219 254296115 /nfs/dbraw/zinc/29/61/15/254296115.db2.gz WMGDYYLFPIPALC-MNOVXSKESA-N 2 2 317.296 3.391 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)sc1Br ZINC000344690219 254296116 /nfs/dbraw/zinc/29/61/16/254296116.db2.gz WMGDYYLFPIPALC-MNOVXSKESA-N 2 2 317.296 3.391 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000344686407 254296217 /nfs/dbraw/zinc/29/62/17/254296217.db2.gz RDBCERGDKBMPPZ-VXGBXAGGSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686407 254296219 /nfs/dbraw/zinc/29/62/19/254296219.db2.gz RDBCERGDKBMPPZ-VXGBXAGGSA-N 2 2 307.488 3.444 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000255954465 285189324 /nfs/dbraw/zinc/18/93/24/285189324.db2.gz MMFGQDFWGQXFLQ-PBHICJAKSA-N 2 2 310.869 3.347 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000255954465 285189325 /nfs/dbraw/zinc/18/93/25/285189325.db2.gz MMFGQDFWGQXFLQ-PBHICJAKSA-N 2 2 310.869 3.347 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccccc2C)CC1 ZINC000344779398 254305053 /nfs/dbraw/zinc/30/50/53/254305053.db2.gz YHOPUUQEXJAJBX-QGZVFWFLSA-N 2 2 318.505 3.405 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCc4cn(C(C)C)nc4C3)n2c1 ZINC000345011736 254323182 /nfs/dbraw/zinc/32/31/82/254323182.db2.gz BULPYUQXROXMMB-MRXNPFEDSA-N 2 2 323.444 3.067 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156702509 197135338 /nfs/dbraw/zinc/13/53/38/197135338.db2.gz YAGVQLLGKJDACY-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156702509 197135339 /nfs/dbraw/zinc/13/53/39/197135339.db2.gz YAGVQLLGKJDACY-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156184295 197093199 /nfs/dbraw/zinc/09/31/99/197093199.db2.gz ZHTRZIIWQIGYFN-QGZVFWFLSA-N 2 2 323.440 3.343 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC[N@@H+]1C ZINC000156101572 197086682 /nfs/dbraw/zinc/08/66/82/197086682.db2.gz GFNAMHLLGGSAJW-GWCFXTLKSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155022018 197014073 /nfs/dbraw/zinc/01/40/73/197014073.db2.gz PKIULPKMQAKKIH-DYEKYZERSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155022018 197014075 /nfs/dbraw/zinc/01/40/75/197014075.db2.gz PKIULPKMQAKKIH-DYEKYZERSA-N 2 2 305.447 3.221 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000294690155 224170539 /nfs/dbraw/zinc/17/05/39/224170539.db2.gz ANSOLXOLEMIXTH-HZMCUSHRSA-N 3 2 324.472 3.457 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294690155 224170541 /nfs/dbraw/zinc/17/05/41/224170541.db2.gz ANSOLXOLEMIXTH-HZMCUSHRSA-N 3 2 324.472 3.457 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560033 209014259 /nfs/dbraw/zinc/01/42/59/209014259.db2.gz WNNUBYGKEPJUPS-RBUKOAKNSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560033 209014263 /nfs/dbraw/zinc/01/42/63/209014263.db2.gz WNNUBYGKEPJUPS-RBUKOAKNSA-N 2 2 314.473 3.342 20 0 DGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000294910000 224303087 /nfs/dbraw/zinc/30/30/87/224303087.db2.gz DWZDZRPPCUZCHT-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000294910000 224303089 /nfs/dbraw/zinc/30/30/89/224303089.db2.gz DWZDZRPPCUZCHT-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000294942335 224327349 /nfs/dbraw/zinc/32/73/49/224327349.db2.gz CUASOIJUNPVUNA-RDTXWAMCSA-N 2 2 319.518 3.380 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290026349 221387405 /nfs/dbraw/zinc/38/74/05/221387405.db2.gz COSLXSOMEZESDI-PKOBYXMFSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290026349 221387408 /nfs/dbraw/zinc/38/74/08/221387408.db2.gz COSLXSOMEZESDI-PKOBYXMFSA-N 2 2 324.472 3.430 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](CO)c2ccccc2)n1-c1ccccc1 ZINC000294992714 224364225 /nfs/dbraw/zinc/36/42/25/224364225.db2.gz HRGBZRCPFHQCEQ-HXUWFJFHSA-N 2 2 321.424 3.346 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](CO)c2ccccc2)n1-c1ccccc1 ZINC000294992714 224364228 /nfs/dbraw/zinc/36/42/28/224364228.db2.gz HRGBZRCPFHQCEQ-HXUWFJFHSA-N 2 2 321.424 3.346 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000349403029 285344051 /nfs/dbraw/zinc/34/40/51/285344051.db2.gz BAOPBWLGYLOQSW-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000349403029 285344053 /nfs/dbraw/zinc/34/40/53/285344053.db2.gz BAOPBWLGYLOQSW-UHFFFAOYSA-N 2 2 314.857 3.131 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788760 285350664 /nfs/dbraw/zinc/35/06/64/285350664.db2.gz NHRWXBDVELDLNG-IAQYHMDHSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1Cl ZINC000274788760 285350665 /nfs/dbraw/zinc/35/06/65/285350665.db2.gz NHRWXBDVELDLNG-IAQYHMDHSA-N 2 2 323.799 3.115 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000352539919 285355379 /nfs/dbraw/zinc/35/53/79/285355379.db2.gz FAQKDDRKQGIMAP-CYBMUJFWSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000352539919 285355380 /nfs/dbraw/zinc/35/53/80/285355380.db2.gz FAQKDDRKQGIMAP-CYBMUJFWSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353452531 285359605 /nfs/dbraw/zinc/35/96/05/285359605.db2.gz BUOPLRNWDCBLMD-ZLPCBKJTSA-N 3 2 312.461 3.396 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000121972581 195384259 /nfs/dbraw/zinc/38/42/59/195384259.db2.gz KIBGPQLAYQRJOI-UHFFFAOYSA-N 2 2 316.449 3.120 20 0 DGADLP COC[C@]1(C[NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CCC[NH2+]1 ZINC000423409298 533237389 /nfs/dbraw/zinc/23/73/89/533237389.db2.gz BPJZXMLURFXIHL-SJLPKXTDSA-N 2 2 320.502 3.199 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356583184 285396593 /nfs/dbraw/zinc/39/65/93/285396593.db2.gz VANQFMGAURRYGK-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356583184 285396595 /nfs/dbraw/zinc/39/65/95/285396595.db2.gz VANQFMGAURRYGK-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000356583184 285396598 /nfs/dbraw/zinc/39/65/98/285396598.db2.gz VANQFMGAURRYGK-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000356583184 285396600 /nfs/dbraw/zinc/39/66/00/285396600.db2.gz VANQFMGAURRYGK-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356583184 285396601 /nfs/dbraw/zinc/39/66/01/285396601.db2.gz VANQFMGAURRYGK-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccnc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356583184 285396604 /nfs/dbraw/zinc/39/66/04/285396604.db2.gz VANQFMGAURRYGK-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422843611 533448533 /nfs/dbraw/zinc/44/85/33/533448533.db2.gz IYIUADAHMCAEIM-QAPCUYQASA-N 2 2 311.429 3.494 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000442876494 533393904 /nfs/dbraw/zinc/39/39/04/533393904.db2.gz RJGSJLYEOKOPSW-QGZVFWFLSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000415128463 533645511 /nfs/dbraw/zinc/64/55/11/533645511.db2.gz NYOGSPTXNSEHNP-DZGCQCFKSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000415128463 533645516 /nfs/dbraw/zinc/64/55/16/533645516.db2.gz NYOGSPTXNSEHNP-DZGCQCFKSA-N 2 2 301.459 3.227 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2Br)C1 ZINC000164114113 132130473 /nfs/dbraw/zinc/13/04/73/132130473.db2.gz FZKDBKBQLJRFRT-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2Br)C1 ZINC000164114113 132130475 /nfs/dbraw/zinc/13/04/75/132130475.db2.gz FZKDBKBQLJRFRT-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC(C)[C@](C)(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185668 545823096 /nfs/dbraw/zinc/82/30/96/545823096.db2.gz UVKUDJVCORRMOZ-IEBWSBKVSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@](C)(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185668 545823103 /nfs/dbraw/zinc/82/31/03/545823103.db2.gz UVKUDJVCORRMOZ-IEBWSBKVSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056406 400093454 /nfs/dbraw/zinc/09/34/54/400093454.db2.gz HAOCIFWAHWXRCB-IRXDYDNUSA-N 2 2 318.461 3.387 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056406 400093460 /nfs/dbraw/zinc/09/34/60/400093460.db2.gz HAOCIFWAHWXRCB-IRXDYDNUSA-N 2 2 318.461 3.387 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572564 400094413 /nfs/dbraw/zinc/09/44/13/400094413.db2.gz IZHSOOOAFJTTIB-UKRRQHHQSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572564 400094420 /nfs/dbraw/zinc/09/44/20/400094420.db2.gz IZHSOOOAFJTTIB-UKRRQHHQSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572564 400094426 /nfs/dbraw/zinc/09/44/26/400094426.db2.gz IZHSOOOAFJTTIB-UKRRQHHQSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572564 400094429 /nfs/dbraw/zinc/09/44/29/400094429.db2.gz IZHSOOOAFJTTIB-UKRRQHHQSA-N 2 2 322.449 3.099 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751076 400098066 /nfs/dbraw/zinc/09/80/66/400098066.db2.gz UENNFNDQIBBYMU-NSHGMRRFSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751076 400098067 /nfs/dbraw/zinc/09/80/67/400098067.db2.gz UENNFNDQIBBYMU-NSHGMRRFSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751076 400098068 /nfs/dbraw/zinc/09/80/68/400098068.db2.gz UENNFNDQIBBYMU-NSHGMRRFSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751076 400098069 /nfs/dbraw/zinc/09/80/69/400098069.db2.gz UENNFNDQIBBYMU-NSHGMRRFSA-N 3 2 317.521 3.215 20 0 DGADLP CCSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595099670 400105440 /nfs/dbraw/zinc/10/54/40/400105440.db2.gz NNKHQBMFZPTWKV-WBVHZDCISA-N 2 2 319.518 3.167 20 0 DGADLP CCSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595099670 400105448 /nfs/dbraw/zinc/10/54/48/400105448.db2.gz NNKHQBMFZPTWKV-WBVHZDCISA-N 2 2 319.518 3.167 20 0 DGADLP COCc1cc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)ccc1OC ZINC000090847245 400079185 /nfs/dbraw/zinc/07/91/85/400079185.db2.gz GVCSNFFXQLVVTF-OAHLLOKOSA-N 2 2 314.429 3.438 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOc4ccccc4C3)cc2)c[nH+]1 ZINC000585748440 400136827 /nfs/dbraw/zinc/13/68/27/400136827.db2.gz ZKOZKLOMXPKSTD-UHFFFAOYSA-N 2 2 305.381 3.267 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOc4ccccc4C3)cc2)c[nH+]1 ZINC000585748440 400136832 /nfs/dbraw/zinc/13/68/32/400136832.db2.gz ZKOZKLOMXPKSTD-UHFFFAOYSA-N 2 2 305.381 3.267 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071860 400151848 /nfs/dbraw/zinc/15/18/48/400151848.db2.gz DTHGNVYXHLKQQG-LBPRGKRZSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071860 400151849 /nfs/dbraw/zinc/15/18/49/400151849.db2.gz DTHGNVYXHLKQQG-LBPRGKRZSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588688952 400223523 /nfs/dbraw/zinc/22/35/23/400223523.db2.gz LPULIGDJHMWQDP-MJGOQNOKSA-N 2 2 312.457 3.139 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588688952 400223529 /nfs/dbraw/zinc/22/35/29/400223529.db2.gz LPULIGDJHMWQDP-MJGOQNOKSA-N 2 2 312.457 3.139 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000093394704 400243836 /nfs/dbraw/zinc/24/38/36/400243836.db2.gz VLBGGNGLQFLOFC-UHFFFAOYSA-N 2 2 324.896 3.235 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000093394704 400243839 /nfs/dbraw/zinc/24/38/39/400243839.db2.gz VLBGGNGLQFLOFC-UHFFFAOYSA-N 2 2 324.896 3.235 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000071145943 400369577 /nfs/dbraw/zinc/36/95/77/400369577.db2.gz OHVOHJLQSZRZGM-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000071145943 400369580 /nfs/dbraw/zinc/36/95/80/400369580.db2.gz OHVOHJLQSZRZGM-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOC[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000072895132 400412784 /nfs/dbraw/zinc/41/27/84/400412784.db2.gz MEKJEUWIQKCBIN-HXUWFJFHSA-N 2 2 319.408 3.446 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOC[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000072895132 400412791 /nfs/dbraw/zinc/41/27/91/400412791.db2.gz MEKJEUWIQKCBIN-HXUWFJFHSA-N 2 2 319.408 3.446 20 0 DGADLP CCSC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000596653589 400473380 /nfs/dbraw/zinc/47/33/80/400473380.db2.gz VWZLQKONOHBCMS-IAGOWNOFSA-N 2 2 320.502 3.364 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000591083240 400484116 /nfs/dbraw/zinc/48/41/16/400484116.db2.gz SCRLYUVSIDTXIL-INIZCTEOSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000591083240 400484122 /nfs/dbraw/zinc/48/41/22/400484122.db2.gz SCRLYUVSIDTXIL-INIZCTEOSA-N 2 2 308.385 3.375 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000074483274 400515756 /nfs/dbraw/zinc/51/57/56/400515756.db2.gz LMFMGJLBOAKPRY-HNNXBMFYSA-N 2 2 312.417 3.075 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000076002936 400626457 /nfs/dbraw/zinc/62/64/57/400626457.db2.gz FHBCTAZHYCTIIV-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000076002936 400626458 /nfs/dbraw/zinc/62/64/58/400626458.db2.gz FHBCTAZHYCTIIV-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758039 400609988 /nfs/dbraw/zinc/60/99/88/400609988.db2.gz YXDCXSAFEIBZPW-UHFFFAOYSA-N 2 2 307.397 3.230 20 0 DGADLP C(c1nnc(C2CC2)o1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000139838684 400612677 /nfs/dbraw/zinc/61/26/77/400612677.db2.gz QXOUEFZTGXCAAL-UHFFFAOYSA-N 2 2 318.465 3.035 20 0 DGADLP CC[N@H+](CCNc1[nH+]c2ccccc2n1C)CCC(F)(F)F ZINC000491677882 543407623 /nfs/dbraw/zinc/40/76/23/543407623.db2.gz RDEPNALHZJKHGY-UHFFFAOYSA-N 2 2 314.355 3.260 20 0 DGADLP CC[N@@H+](CCNc1[nH+]c2ccccc2n1C)CCC(F)(F)F ZINC000491677882 543407625 /nfs/dbraw/zinc/40/76/25/543407625.db2.gz RDEPNALHZJKHGY-UHFFFAOYSA-N 2 2 314.355 3.260 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000603516859 400696594 /nfs/dbraw/zinc/69/65/94/400696594.db2.gz DWAZNFZQIZQECK-CYBMUJFWSA-N 2 2 314.882 3.135 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000078338355 400790551 /nfs/dbraw/zinc/79/05/51/400790551.db2.gz JPJAWDOXJKRFBE-BBRMVZONSA-N 2 2 302.447 3.342 20 0 DGADLP Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000078338355 400790554 /nfs/dbraw/zinc/79/05/54/400790554.db2.gz JPJAWDOXJKRFBE-BBRMVZONSA-N 2 2 302.447 3.342 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000605712119 400883207 /nfs/dbraw/zinc/88/32/07/400883207.db2.gz QSMZIHRPPZATNH-UKRRQHHQSA-N 2 2 320.462 3.274 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000605712119 400883209 /nfs/dbraw/zinc/88/32/09/400883209.db2.gz QSMZIHRPPZATNH-UKRRQHHQSA-N 2 2 320.462 3.274 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC(C)C ZINC000078974090 400836900 /nfs/dbraw/zinc/83/69/00/400836900.db2.gz BVRUDERVMBBXHP-DLBZAZTESA-N 2 2 318.461 3.199 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC(C)C ZINC000078974090 400836906 /nfs/dbraw/zinc/83/69/06/400836906.db2.gz BVRUDERVMBBXHP-DLBZAZTESA-N 2 2 318.461 3.199 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619424675 400845142 /nfs/dbraw/zinc/84/51/42/400845142.db2.gz ZFVUNJCLSRJYGJ-GOSISDBHSA-N 2 2 318.461 3.378 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619424675 400845144 /nfs/dbraw/zinc/84/51/44/400845144.db2.gz ZFVUNJCLSRJYGJ-GOSISDBHSA-N 2 2 318.461 3.378 20 0 DGADLP CCOC(=O)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000599067033 400947015 /nfs/dbraw/zinc/94/70/15/400947015.db2.gz ZRMYDWXSAVGTQL-HTWSVDAQSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000599067033 400947022 /nfs/dbraw/zinc/94/70/22/400947022.db2.gz ZRMYDWXSAVGTQL-HTWSVDAQSA-N 2 2 322.493 3.105 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598952213 400911028 /nfs/dbraw/zinc/91/10/28/400911028.db2.gz INQNYMHJWSOWDN-UHFFFAOYSA-N 2 2 324.490 3.277 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000599307757 401019138 /nfs/dbraw/zinc/01/91/38/401019138.db2.gz YJPPYHQFDJSWPX-MRXNPFEDSA-N 2 2 321.465 3.276 20 0 DGADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960317 401007739 /nfs/dbraw/zinc/00/77/39/401007739.db2.gz NFQOMXLYVVIGLJ-AWEZNQCLSA-N 2 2 310.376 3.477 20 0 DGADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960317 401007745 /nfs/dbraw/zinc/00/77/45/401007745.db2.gz NFQOMXLYVVIGLJ-AWEZNQCLSA-N 2 2 310.376 3.477 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629653707 401020436 /nfs/dbraw/zinc/02/04/36/401020436.db2.gz FPFHADYJYYPDLI-ZWNOBZJWSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629653707 401020444 /nfs/dbraw/zinc/02/04/44/401020444.db2.gz FPFHADYJYYPDLI-ZWNOBZJWSA-N 2 2 324.749 3.438 20 0 DGADLP COc1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080985117 401013083 /nfs/dbraw/zinc/01/30/83/401013083.db2.gz HRNNARSIMMACAD-OAHLLOKOSA-N 2 2 315.417 3.067 20 0 DGADLP COc1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080985117 401013091 /nfs/dbraw/zinc/01/30/91/401013091.db2.gz HRNNARSIMMACAD-OAHLLOKOSA-N 2 2 315.417 3.067 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561908 400977897 /nfs/dbraw/zinc/97/78/97/400977897.db2.gz LIQBMPBTAAIMJF-QKCSRTOESA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561908 400977902 /nfs/dbraw/zinc/97/79/02/400977902.db2.gz LIQBMPBTAAIMJF-QKCSRTOESA-N 2 2 304.331 3.346 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1C(F)(F)F ZINC000629561593 400978505 /nfs/dbraw/zinc/97/85/05/400978505.db2.gz IPSNORDCWKWCDC-LSDHHAIUSA-N 2 2 323.362 3.194 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1C(F)(F)F ZINC000629561593 400978510 /nfs/dbraw/zinc/97/85/10/400978510.db2.gz IPSNORDCWKWCDC-LSDHHAIUSA-N 2 2 323.362 3.194 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000081292515 401050157 /nfs/dbraw/zinc/05/01/57/401050157.db2.gz OICWTBQPDPJKOT-UHFFFAOYSA-N 2 2 321.380 3.199 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCOCC(C)C)n1-c1ccccc1 ZINC000081292539 401050213 /nfs/dbraw/zinc/05/02/13/401050213.db2.gz YOJGDRHKRWTTAM-UHFFFAOYSA-N 2 2 301.434 3.333 20 0 DGADLP Cc1[nH+]cc(CNC[C@H](CC(C)C)[NH+](C)C)n1-c1ccccc1 ZINC000081292551 401050398 /nfs/dbraw/zinc/05/03/98/401050398.db2.gz KKKCNZBQGHMCRG-SFHVURJKSA-N 2 2 314.477 3.247 20 0 DGADLP COCCCCNc1ccc(-c2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000629707587 401051917 /nfs/dbraw/zinc/05/19/17/401051917.db2.gz UYXPZCIWVORFEN-UHFFFAOYSA-N 2 2 313.445 3.071 20 0 DGADLP Oc1ccc(Cl)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000625193744 401055758 /nfs/dbraw/zinc/05/57/58/401055758.db2.gz ZADYYGMWZOBDFO-CQSZACIVSA-N 2 2 308.853 3.353 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000625193744 401055762 /nfs/dbraw/zinc/05/57/62/401055762.db2.gz ZADYYGMWZOBDFO-CQSZACIVSA-N 2 2 308.853 3.353 20 0 DGADLP CC[C@H](CO)Nc1ccc(-c2cc(C[NH+](C)C)ccc2F)c[nH+]1 ZINC000629736506 401068128 /nfs/dbraw/zinc/06/81/28/401068128.db2.gz INPVCMPQRXGIQH-OAHLLOKOSA-N 2 2 317.408 3.132 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)nnn1-c1ccccc1 ZINC000358231566 286005303 /nfs/dbraw/zinc/00/53/03/286005303.db2.gz TZXKCJHZGNJLCK-OAHLLOKOSA-N 2 2 321.428 3.172 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000251933176 401093385 /nfs/dbraw/zinc/09/33/85/401093385.db2.gz YXHVTBZDCIOEMY-BXUZGUMPSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC[C@H]1[NH3+] ZINC000251933176 401093390 /nfs/dbraw/zinc/09/33/90/401093390.db2.gz YXHVTBZDCIOEMY-BXUZGUMPSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H](C[NH2+]Cc1cnc(-c2ccsc2)s1)Cn1cc[nH+]c1 ZINC000084656610 401152381 /nfs/dbraw/zinc/15/23/81/401152381.db2.gz KUFVFTLQXJTDIP-LBPRGKRZSA-N 2 2 318.471 3.494 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000682534617 549336048 /nfs/dbraw/zinc/33/60/48/549336048.db2.gz QBOKDMWRYOUKHR-SJLPKXTDSA-N 2 2 319.493 3.087 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000594745917 401168511 /nfs/dbraw/zinc/16/85/11/401168511.db2.gz NEGGQUFDNLZASV-IBGZPJMESA-N 2 2 304.478 3.098 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000594745917 401168513 /nfs/dbraw/zinc/16/85/13/401168513.db2.gz NEGGQUFDNLZASV-IBGZPJMESA-N 2 2 304.478 3.098 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000682534617 549336053 /nfs/dbraw/zinc/33/60/53/549336053.db2.gz QBOKDMWRYOUKHR-SJLPKXTDSA-N 2 2 319.493 3.087 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cncc(OC)c2C)CC1 ZINC000630072579 401176852 /nfs/dbraw/zinc/17/68/52/401176852.db2.gz GIXLNJJMQUJRIA-UHFFFAOYSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ccc(C[NH+]2CCC(CNc3cccc[nH+]3)CC2)cc1 ZINC000063282553 401185906 /nfs/dbraw/zinc/18/59/06/401185906.db2.gz YQWHJDXUATWBDJ-UHFFFAOYSA-N 2 2 311.429 3.414 20 0 DGADLP CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](C)C(C)C ZINC000065299117 401262879 /nfs/dbraw/zinc/26/28/79/401262879.db2.gz XDTBPVSMUATZFV-SJORKVTESA-N 2 2 317.477 3.380 20 0 DGADLP CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](C)C(C)C ZINC000065299117 401262884 /nfs/dbraw/zinc/26/28/84/401262884.db2.gz XDTBPVSMUATZFV-SJORKVTESA-N 2 2 317.477 3.380 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000090667184 401271712 /nfs/dbraw/zinc/27/17/12/401271712.db2.gz XFKVWGAJCYOWMX-JKSUJKDBSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000090721925 401272774 /nfs/dbraw/zinc/27/27/74/401272774.db2.gz BIYQTENVDMMDBA-RDJZCZTQSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000090721925 401272776 /nfs/dbraw/zinc/27/27/76/401272776.db2.gz BIYQTENVDMMDBA-RDJZCZTQSA-N 2 2 313.420 3.363 20 0 DGADLP c1cncc([C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C2CC2)c1 ZINC000358380139 286045831 /nfs/dbraw/zinc/04/58/31/286045831.db2.gz XFXAJYGZEAAPDO-HXUWFJFHSA-N 2 2 322.456 3.182 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000634678978 401331913 /nfs/dbraw/zinc/33/19/13/401331913.db2.gz IHVWEGDTVVGTEQ-GOSISDBHSA-N 2 2 320.452 3.337 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000634679811 401332422 /nfs/dbraw/zinc/33/24/22/401332422.db2.gz DLNIDTGXPHUOIM-SJORKVTESA-N 2 2 313.445 3.251 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634682447 401332943 /nfs/dbraw/zinc/33/29/43/401332943.db2.gz RLGXZSIJAKZVPM-MRXNPFEDSA-N 2 2 317.477 3.116 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000635010285 401402870 /nfs/dbraw/zinc/40/28/70/401402870.db2.gz JJWKHWSYMMWXSM-NVXWUHKLSA-N 3 2 312.461 3.301 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000635013719 401404282 /nfs/dbraw/zinc/40/42/82/401404282.db2.gz VMMXUHSDRLHJPR-DRZCJDIDSA-N 2 2 309.369 3.329 20 0 DGADLP Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000631179977 401417512 /nfs/dbraw/zinc/41/75/12/401417512.db2.gz KNMXSBRCKRPHOG-UHFFFAOYSA-N 2 2 300.368 3.201 20 0 DGADLP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000635376894 401435260 /nfs/dbraw/zinc/43/52/60/401435260.db2.gz VBSVIJXGMBUQNG-UHFFFAOYSA-N 2 2 323.400 3.046 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258585 401439866 /nfs/dbraw/zinc/43/98/66/401439866.db2.gz BGCZDTJSLKYCSE-NBMJBFSESA-N 2 2 302.462 3.115 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258585 401439867 /nfs/dbraw/zinc/43/98/67/401439867.db2.gz BGCZDTJSLKYCSE-NBMJBFSESA-N 2 2 302.462 3.115 20 0 DGADLP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000635474624 401446676 /nfs/dbraw/zinc/44/66/76/401446676.db2.gz XOKCOAAZBRXSIG-GFCCVEGCSA-N 2 2 312.417 3.111 20 0 DGADLP C[N@H+]1CC[C@H](CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000635474624 401446679 /nfs/dbraw/zinc/44/66/79/401446679.db2.gz XOKCOAAZBRXSIG-GFCCVEGCSA-N 2 2 312.417 3.111 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000358409986 286054217 /nfs/dbraw/zinc/05/42/17/286054217.db2.gz VHDIAARXJCGJCD-UPRAQXHNSA-N 2 2 300.446 3.145 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000358409986 286054218 /nfs/dbraw/zinc/05/42/18/286054218.db2.gz VHDIAARXJCGJCD-UPRAQXHNSA-N 2 2 300.446 3.145 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000623089353 401463692 /nfs/dbraw/zinc/46/36/92/401463692.db2.gz DIOQLOCOVOUHNF-OAHLLOKOSA-N 2 2 324.415 3.119 20 0 DGADLP Cc1nc(N2CCC(C)([NH+]3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000631446255 401471558 /nfs/dbraw/zinc/47/15/58/401471558.db2.gz WAPWUEWFJNNJPS-UHFFFAOYSA-N 2 2 314.477 3.119 20 0 DGADLP c1[nH]nc2cccc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)c12 ZINC000623356233 401499264 /nfs/dbraw/zinc/49/92/64/401499264.db2.gz DYLOKIDHTKQNOZ-SFHVURJKSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cccc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000623356233 401499265 /nfs/dbraw/zinc/49/92/65/401499265.db2.gz DYLOKIDHTKQNOZ-SFHVURJKSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000631620529 401516025 /nfs/dbraw/zinc/51/60/25/401516025.db2.gz GGRPBTWMEHSLIE-GDBMZVCRSA-N 2 2 308.429 3.290 20 0 DGADLP CN(C)c1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000628162352 401539179 /nfs/dbraw/zinc/53/91/79/401539179.db2.gz MUFHTIXHIQKSGB-CQSZACIVSA-N 2 2 320.387 3.064 20 0 DGADLP CN(C)c1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000628162352 401539183 /nfs/dbraw/zinc/53/91/83/401539183.db2.gz MUFHTIXHIQKSGB-CQSZACIVSA-N 2 2 320.387 3.064 20 0 DGADLP CN(C)c1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000628162351 401539448 /nfs/dbraw/zinc/53/94/48/401539448.db2.gz MUFHTIXHIQKSGB-AWEZNQCLSA-N 2 2 320.387 3.064 20 0 DGADLP CN(C)c1c(F)c(F)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000628162351 401539450 /nfs/dbraw/zinc/53/94/50/401539450.db2.gz MUFHTIXHIQKSGB-AWEZNQCLSA-N 2 2 320.387 3.064 20 0 DGADLP c1ccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000631651864 401524770 /nfs/dbraw/zinc/52/47/70/401524770.db2.gz ICZGPFQKSHYEFI-VAMGGRTRSA-N 2 2 314.473 3.166 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCn2ccnc21 ZINC000631661680 401527849 /nfs/dbraw/zinc/52/78/49/401527849.db2.gz BLDWPQMJZRDWHY-NEWSRXKRSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCn2ccnc21 ZINC000631661680 401527853 /nfs/dbraw/zinc/52/78/53/401527853.db2.gz BLDWPQMJZRDWHY-NEWSRXKRSA-N 2 2 324.472 3.076 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cccc4n[nH]cc43)CC2)c[nH+]1 ZINC000628279576 401566658 /nfs/dbraw/zinc/56/66/58/401566658.db2.gz PWBXJWSIRQBRSN-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP CC[C@@H](CCc1ccccc1)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000623903495 401597224 /nfs/dbraw/zinc/59/72/24/401597224.db2.gz ISWCXJWHUILMRW-SFHVURJKSA-N 2 2 304.478 3.098 20 0 DGADLP Cc1cn2ccc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)cc2[nH+]1 ZINC000636245489 401546729 /nfs/dbraw/zinc/54/67/29/401546729.db2.gz VCIBFMYXKMHVAU-HNNXBMFYSA-N 2 2 311.389 3.065 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000628214190 401552515 /nfs/dbraw/zinc/55/25/15/401552515.db2.gz NXHVFNMTGYQPEJ-MRXNPFEDSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000628214190 401552516 /nfs/dbraw/zinc/55/25/16/401552516.db2.gz NXHVFNMTGYQPEJ-MRXNPFEDSA-N 2 2 312.379 3.322 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229528 401554468 /nfs/dbraw/zinc/55/44/68/401554468.db2.gz YMAGAUHQBVCZCR-BLLLJJGKSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229528 401554471 /nfs/dbraw/zinc/55/44/71/401554471.db2.gz YMAGAUHQBVCZCR-BLLLJJGKSA-N 2 2 312.379 3.320 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000624110370 401627351 /nfs/dbraw/zinc/62/73/51/401627351.db2.gz WMOASNUSXLJWRH-YTQUADARSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000624110370 401627353 /nfs/dbraw/zinc/62/73/53/401627353.db2.gz WMOASNUSXLJWRH-YTQUADARSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121993 401629394 /nfs/dbraw/zinc/62/93/94/401629394.db2.gz HKTOVLPXVIUENC-KGLIPLIRSA-N 2 2 307.507 3.404 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000624121993 401629396 /nfs/dbraw/zinc/62/93/96/401629396.db2.gz HKTOVLPXVIUENC-KGLIPLIRSA-N 2 2 307.507 3.404 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624231242 401641803 /nfs/dbraw/zinc/64/18/03/401641803.db2.gz UDQGATIWKGCDLN-CGTJXYLNSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624231242 401641805 /nfs/dbraw/zinc/64/18/05/401641805.db2.gz UDQGATIWKGCDLN-CGTJXYLNSA-N 2 2 322.880 3.022 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000624256254 401644183 /nfs/dbraw/zinc/64/41/83/401644183.db2.gz JKFMYPBYWMXTSM-MRXNPFEDSA-N 2 2 320.452 3.464 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000628475947 401603692 /nfs/dbraw/zinc/60/36/92/401603692.db2.gz OLJNDBMJFXGAKD-UHFFFAOYSA-N 2 2 308.491 3.133 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000629386283 401683380 /nfs/dbraw/zinc/68/33/80/401683380.db2.gz RPARENRNUVXCJS-CYBMUJFWSA-N 2 2 302.315 3.219 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000359014637 286215458 /nfs/dbraw/zinc/21/54/58/286215458.db2.gz BMKBALJNCYNTEQ-HQRMLTQVSA-N 2 2 316.489 3.097 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000359014637 286215459 /nfs/dbraw/zinc/21/54/59/286215459.db2.gz BMKBALJNCYNTEQ-HQRMLTQVSA-N 2 2 316.489 3.097 20 0 DGADLP Cc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000359015940 286215781 /nfs/dbraw/zinc/21/57/81/286215781.db2.gz PEEUQRQLCCVNKN-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000359087913 286234106 /nfs/dbraw/zinc/23/41/06/286234106.db2.gz XJJCOJZHOGHCNR-FUHWJXTLSA-N 2 2 308.510 3.458 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263858 286271542 /nfs/dbraw/zinc/27/15/42/286271542.db2.gz OORSKOXQXYPPPE-YOEHRIQHSA-N 2 2 317.433 3.304 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263858 286271544 /nfs/dbraw/zinc/27/15/44/286271544.db2.gz OORSKOXQXYPPPE-YOEHRIQHSA-N 2 2 317.433 3.304 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000359293687 286276996 /nfs/dbraw/zinc/27/69/96/286276996.db2.gz TVBDSBITNJWEBX-RYUDHWBXSA-N 2 2 317.824 3.163 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000359368788 286293966 /nfs/dbraw/zinc/29/39/66/286293966.db2.gz FSUKKZIUQOQMCX-IBGZPJMESA-N 2 2 320.477 3.094 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000359368788 286293967 /nfs/dbraw/zinc/29/39/67/286293967.db2.gz FSUKKZIUQOQMCX-IBGZPJMESA-N 2 2 320.477 3.094 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000359375972 286295700 /nfs/dbraw/zinc/29/57/00/286295700.db2.gz IRMKXPBKRSSQSU-OWCLPIDISA-N 2 2 308.491 3.290 20 0 DGADLP COCC1CCC([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000295145933 292264532 /nfs/dbraw/zinc/26/45/32/292264532.db2.gz JBQSLVMZDVYNKY-NKELODKYSA-N 2 2 304.478 3.393 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359462617 286313339 /nfs/dbraw/zinc/31/33/39/286313339.db2.gz XHKUDZBIRYFNKB-UHFFFAOYSA-N 2 2 300.450 3.058 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359462617 286313341 /nfs/dbraw/zinc/31/33/41/286313341.db2.gz XHKUDZBIRYFNKB-UHFFFAOYSA-N 2 2 300.450 3.058 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000359500126 286321330 /nfs/dbraw/zinc/32/13/30/286321330.db2.gz FYJBJZCUZOOKHW-WBVHZDCISA-N 2 2 320.477 3.240 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nccc(C)n2)cc1 ZINC000359516065 286324588 /nfs/dbraw/zinc/32/45/88/286324588.db2.gz RXBHCSQHYFPYGG-CQSZACIVSA-N 2 2 307.401 3.130 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523150 286326071 /nfs/dbraw/zinc/32/60/71/286326071.db2.gz GQESERVBGQOFDT-GOEBONIOSA-N 2 2 310.507 3.372 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)s1 ZINC000359523150 286326073 /nfs/dbraw/zinc/32/60/73/286326073.db2.gz GQESERVBGQOFDT-GOEBONIOSA-N 2 2 310.507 3.372 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000359591557 286343048 /nfs/dbraw/zinc/34/30/48/286343048.db2.gz MQBBUPNSJXVJFO-INIZCTEOSA-N 2 2 303.450 3.386 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)C1 ZINC000359622643 286349076 /nfs/dbraw/zinc/34/90/76/286349076.db2.gz SMOOPCYGNLVVIO-GMBSWORKSA-N 2 2 318.461 3.085 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)C1 ZINC000359622643 286349079 /nfs/dbraw/zinc/34/90/79/286349079.db2.gz SMOOPCYGNLVVIO-GMBSWORKSA-N 2 2 318.461 3.085 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000359666801 286357169 /nfs/dbraw/zinc/35/71/69/286357169.db2.gz YCBGYIVRMUTGNL-BBWFWOEESA-N 2 2 316.489 3.325 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000359666801 286357171 /nfs/dbraw/zinc/35/71/71/286357171.db2.gz YCBGYIVRMUTGNL-BBWFWOEESA-N 2 2 316.489 3.325 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)c1cccc(OC)c1 ZINC000359762665 286376841 /nfs/dbraw/zinc/37/68/41/286376841.db2.gz FCIPHKNEEPBRNH-HDMKZQKVSA-N 2 2 308.466 3.091 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360071885 286418840 /nfs/dbraw/zinc/41/88/40/286418840.db2.gz NRWDUWCJFGRYOG-SFHVURJKSA-N 2 2 301.434 3.082 20 0 DGADLP COc1cccc2c(N3CCC[C@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000302493533 286471712 /nfs/dbraw/zinc/47/17/12/286471712.db2.gz ZVXXHTTVEGDOBT-HNNXBMFYSA-N 2 2 311.429 3.308 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000361187104 286619574 /nfs/dbraw/zinc/61/95/74/286619574.db2.gz HZVHECYZJJGTFI-HNNXBMFYSA-N 2 2 310.388 3.252 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCC2 ZINC000361967413 286752113 /nfs/dbraw/zinc/75/21/13/286752113.db2.gz TVZINEDBLFSXNU-KDOFPFPSSA-N 2 2 304.503 3.263 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000364117764 286989262 /nfs/dbraw/zinc/98/92/62/286989262.db2.gz DRKOGJXHIIIKJO-INIZCTEOSA-N 2 2 316.493 3.480 20 0 DGADLP C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000423113872 287053690 /nfs/dbraw/zinc/05/36/90/287053690.db2.gz UVMPOZNNJADGCU-KMUNFCNLSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000189139965 165149636 /nfs/dbraw/zinc/14/96/36/165149636.db2.gz AIWALNVSTDHFGR-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000189139965 165149639 /nfs/dbraw/zinc/14/96/39/165149639.db2.gz AIWALNVSTDHFGR-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP COc1cccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000191265384 165239568 /nfs/dbraw/zinc/23/95/68/165239568.db2.gz WDKHOECJHJMAOG-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP COc1cccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000191265384 165239569 /nfs/dbraw/zinc/23/95/69/165239569.db2.gz WDKHOECJHJMAOG-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1nccs1 ZINC000192127768 165282176 /nfs/dbraw/zinc/28/21/76/165282176.db2.gz WAQPREHDIDQICE-UHFFFAOYSA-N 2 2 312.442 3.312 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1nccs1 ZINC000192127768 165282182 /nfs/dbraw/zinc/28/21/82/165282182.db2.gz WAQPREHDIDQICE-UHFFFAOYSA-N 2 2 312.442 3.312 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(Cl)c(F)c1 ZINC000192137046 165282656 /nfs/dbraw/zinc/28/26/56/165282656.db2.gz JHFCRKXTDHUACN-UHFFFAOYSA-N 2 2 311.788 3.077 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(Cl)c(F)c1 ZINC000192137046 165282658 /nfs/dbraw/zinc/28/26/58/165282658.db2.gz JHFCRKXTDHUACN-UHFFFAOYSA-N 2 2 311.788 3.077 20 0 DGADLP CCC1(CO)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192138456 165282913 /nfs/dbraw/zinc/28/29/13/165282913.db2.gz LZNYACJHVBTNJL-UHFFFAOYSA-N 2 2 313.445 3.165 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000192933837 165309937 /nfs/dbraw/zinc/30/99/37/165309937.db2.gz YZVIUKHOWIHVNK-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000192933837 165309942 /nfs/dbraw/zinc/30/99/42/165309942.db2.gz YZVIUKHOWIHVNK-INIZCTEOSA-N 2 2 301.459 3.063 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000216064424 165376349 /nfs/dbraw/zinc/37/63/49/165376349.db2.gz PTIFTTKALLENFL-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Br ZINC000216064424 165376354 /nfs/dbraw/zinc/37/63/54/165376354.db2.gz PTIFTTKALLENFL-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248689733 165643527 /nfs/dbraw/zinc/64/35/27/165643527.db2.gz AKXPUGLUVRJGAJ-PIKADFDJSA-N 2 2 323.440 3.481 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000365505226 287139489 /nfs/dbraw/zinc/13/94/89/287139489.db2.gz OPQQMVUPTAOVBP-KURKYZTESA-N 2 2 313.489 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000365505226 287139492 /nfs/dbraw/zinc/13/94/92/287139492.db2.gz OPQQMVUPTAOVBP-KURKYZTESA-N 2 2 313.489 3.118 20 0 DGADLP CCn1nc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c2ccccc21 ZINC000365827389 287176689 /nfs/dbraw/zinc/17/66/89/287176689.db2.gz BRODWKZUDSCXFY-OAHLLOKOSA-N 2 2 323.444 3.169 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000365831501 287177279 /nfs/dbraw/zinc/17/72/79/287177279.db2.gz MHMHVDLHVYKHTR-MRXNPFEDSA-N 2 2 315.465 3.023 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000365831501 287177281 /nfs/dbraw/zinc/17/72/81/287177281.db2.gz MHMHVDLHVYKHTR-MRXNPFEDSA-N 2 2 315.465 3.023 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000365870092 287182501 /nfs/dbraw/zinc/18/25/01/287182501.db2.gz GGNUSWOETVPNJD-SZMVWBNQSA-N 2 2 313.445 3.435 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000129393251 196044264 /nfs/dbraw/zinc/04/42/64/196044264.db2.gz HYZJIMOOIVFWCV-HIFRSBDPSA-N 2 2 312.373 3.214 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000129393251 196044266 /nfs/dbraw/zinc/04/42/66/196044266.db2.gz HYZJIMOOIVFWCV-HIFRSBDPSA-N 2 2 312.373 3.214 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000246743666 432161834 /nfs/dbraw/zinc/16/18/34/432161834.db2.gz WXYIBGKCEOLGJK-RDJZCZTQSA-N 2 2 312.461 3.116 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000246743666 432161838 /nfs/dbraw/zinc/16/18/38/432161838.db2.gz WXYIBGKCEOLGJK-RDJZCZTQSA-N 2 2 312.461 3.116 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](C)[C@@H]3C)c2cc1C ZINC000246726332 432158708 /nfs/dbraw/zinc/15/87/08/432158708.db2.gz LXTGMLBMJIWFLD-XOKHGSTOSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](C)[C@@H]3C)c2cc1C ZINC000246726332 432158710 /nfs/dbraw/zinc/15/87/10/432158710.db2.gz LXTGMLBMJIWFLD-XOKHGSTOSA-N 2 2 315.461 3.134 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000190881342 432197137 /nfs/dbraw/zinc/19/71/37/432197137.db2.gz KAVRRWFXGKKPSS-JSGCOSHPSA-N 2 2 310.388 3.045 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000190881342 432197140 /nfs/dbraw/zinc/19/71/40/432197140.db2.gz KAVRRWFXGKKPSS-JSGCOSHPSA-N 2 2 310.388 3.045 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190899943 432198339 /nfs/dbraw/zinc/19/83/39/432198339.db2.gz XVZIWGBERCYCJV-UHFFFAOYSA-N 2 2 312.461 3.226 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247087752 432201837 /nfs/dbraw/zinc/20/18/37/432201837.db2.gz PEQYEGQJNYUEPK-DOMZBBRYSA-N 2 2 314.351 3.256 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247087752 432201840 /nfs/dbraw/zinc/20/18/40/432201840.db2.gz PEQYEGQJNYUEPK-DOMZBBRYSA-N 2 2 314.351 3.256 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000150913353 432202125 /nfs/dbraw/zinc/20/21/25/432202125.db2.gz WHYNRSSOJRZPLZ-GOEBONIOSA-N 2 2 308.491 3.290 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000247152417 432207186 /nfs/dbraw/zinc/20/71/86/432207186.db2.gz XDMXATIRGGEMQR-ATLSCFEFSA-N 2 2 319.493 3.043 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N2CCCC2)o1 ZINC000247152417 432207191 /nfs/dbraw/zinc/20/71/91/432207191.db2.gz XDMXATIRGGEMQR-ATLSCFEFSA-N 2 2 319.493 3.043 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1OC ZINC000182617009 432210387 /nfs/dbraw/zinc/21/03/87/432210387.db2.gz NICLYSSCGYFPQI-INIZCTEOSA-N 2 2 315.417 3.128 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1OC ZINC000182617009 432210390 /nfs/dbraw/zinc/21/03/90/432210390.db2.gz NICLYSSCGYFPQI-INIZCTEOSA-N 2 2 315.417 3.128 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c(OC)c1 ZINC000182616533 432210655 /nfs/dbraw/zinc/21/06/55/432210655.db2.gz TVSXYXDPBUNQJG-QGZVFWFLSA-N 2 2 315.417 3.128 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c(OC)c1 ZINC000182616533 432210658 /nfs/dbraw/zinc/21/06/58/432210658.db2.gz TVSXYXDPBUNQJG-QGZVFWFLSA-N 2 2 315.417 3.128 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000269850539 432215237 /nfs/dbraw/zinc/21/52/37/432215237.db2.gz XOGVURSUXVZFCL-GXTWGEPZSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000269850539 432215240 /nfs/dbraw/zinc/21/52/40/432215240.db2.gz XOGVURSUXVZFCL-GXTWGEPZSA-N 2 2 320.868 3.047 20 0 DGADLP Fc1cccc(Cl)c1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172650979 432225007 /nfs/dbraw/zinc/22/50/07/432225007.db2.gz FIXGMTUSOKKBNY-CQSZACIVSA-N 2 2 310.844 3.439 20 0 DGADLP Fc1cccc(Cl)c1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172650979 432225012 /nfs/dbraw/zinc/22/50/12/432225012.db2.gz FIXGMTUSOKKBNY-CQSZACIVSA-N 2 2 310.844 3.439 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cnn1C(C)(C)C ZINC000191139152 432225367 /nfs/dbraw/zinc/22/53/67/432225367.db2.gz HXIGKVYIDHAXDO-CYBMUJFWSA-N 2 2 304.482 3.224 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000172553574 432220580 /nfs/dbraw/zinc/22/05/80/432220580.db2.gz RBQYPJZNYFJJNO-IAGOWNOFSA-N 2 2 301.434 3.138 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247299931 432220726 /nfs/dbraw/zinc/22/07/26/432220726.db2.gz ZQDRKCTZDJWXFH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247299931 432220728 /nfs/dbraw/zinc/22/07/28/432220728.db2.gz ZQDRKCTZDJWXFH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247299931 432220731 /nfs/dbraw/zinc/22/07/31/432220731.db2.gz ZQDRKCTZDJWXFH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247299931 432220732 /nfs/dbraw/zinc/22/07/32/432220732.db2.gz ZQDRKCTZDJWXFH-CZUORRHYSA-N 2 2 308.853 3.265 20 0 DGADLP Brc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131676157 196189636 /nfs/dbraw/zinc/18/96/36/196189636.db2.gz DJEDCJNDHKVTFN-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1ccccc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131676157 196189637 /nfs/dbraw/zinc/18/96/37/196189637.db2.gz DJEDCJNDHKVTFN-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000131712109 196193088 /nfs/dbraw/zinc/19/30/88/196193088.db2.gz YAMSKGPWNXNMPV-UHFFFAOYSA-N 2 2 311.385 3.297 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000131712109 196193090 /nfs/dbraw/zinc/19/30/90/196193090.db2.gz YAMSKGPWNXNMPV-UHFFFAOYSA-N 2 2 311.385 3.297 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000132318121 196245641 /nfs/dbraw/zinc/24/56/41/196245641.db2.gz HZZRHOSUTLQUGB-IBGZPJMESA-N 2 2 312.461 3.125 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000132853760 196290934 /nfs/dbraw/zinc/29/09/34/196290934.db2.gz BUUFJPOURXJDST-ZIAGYGMSSA-N 2 2 324.415 3.116 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000134133064 196364673 /nfs/dbraw/zinc/36/46/73/196364673.db2.gz PYHZIOIRKVWJED-ZBFHGGJFSA-N 2 2 318.490 3.452 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295576136 225004250 /nfs/dbraw/zinc/00/42/50/225004250.db2.gz BDEVVLMCJMGULF-SMDDNHRTSA-N 2 2 307.850 3.367 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000290347927 221590739 /nfs/dbraw/zinc/59/07/39/221590739.db2.gz LSCRTMVARDPRDC-UHFFFAOYSA-N 2 2 315.436 3.183 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)C(C)(C)C[NH3+])cc3)[nH+]c12 ZINC000165502663 228264984 /nfs/dbraw/zinc/26/49/84/228264984.db2.gz TUXVLRJVHCPKON-UHFFFAOYSA-N 2 2 322.412 3.233 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000346298047 264005217 /nfs/dbraw/zinc/00/52/17/264005217.db2.gz AIKMACHWJQZAID-KRWDZBQOSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000346298047 264005219 /nfs/dbraw/zinc/00/52/19/264005219.db2.gz AIKMACHWJQZAID-KRWDZBQOSA-N 3 2 318.509 3.168 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@@H+]1C ZINC000346315733 264007977 /nfs/dbraw/zinc/00/79/77/264007977.db2.gz AAOGIZFXPFRIIW-DYVFJYSZSA-N 2 2 323.431 3.006 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@H+]1C ZINC000346315733 264007981 /nfs/dbraw/zinc/00/79/81/264007981.db2.gz AAOGIZFXPFRIIW-DYVFJYSZSA-N 2 2 323.431 3.006 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC[N@@H+]1C ZINC000346558799 264053711 /nfs/dbraw/zinc/05/37/11/264053711.db2.gz FZOSCIJRVRZUJM-LSBZLQRGSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC[N@H+]1C ZINC000346558799 264053714 /nfs/dbraw/zinc/05/37/14/264053714.db2.gz FZOSCIJRVRZUJM-LSBZLQRGSA-N 2 2 313.420 3.382 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346559826 264054325 /nfs/dbraw/zinc/05/43/25/264054325.db2.gz MTMCCASVWXZDEX-SFHVURJKSA-N 2 2 310.376 3.105 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCOCC1 ZINC000346590334 264060302 /nfs/dbraw/zinc/06/03/02/264060302.db2.gz HJWRKFLYSMBKNN-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCOCC1 ZINC000346590334 264060304 /nfs/dbraw/zinc/06/03/04/264060304.db2.gz HJWRKFLYSMBKNN-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP CCCOc1ccc(C[NH+]2CCC([NH3+])CC2)c(OCCC)c1 ZINC000346633535 264069302 /nfs/dbraw/zinc/06/93/02/264069302.db2.gz FGUJRWWUVDOAIO-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000346640029 264071256 /nfs/dbraw/zinc/07/12/56/264071256.db2.gz IAMKUQJACKGFNM-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000346640029 264071259 /nfs/dbraw/zinc/07/12/59/264071259.db2.gz IAMKUQJACKGFNM-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000346640029 264071262 /nfs/dbraw/zinc/07/12/62/264071262.db2.gz IAMKUQJACKGFNM-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000346640029 264071264 /nfs/dbraw/zinc/07/12/64/264071264.db2.gz IAMKUQJACKGFNM-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000346650498 264072988 /nfs/dbraw/zinc/07/29/88/264072988.db2.gz CKUYLOKRHSGQRW-KRWDZBQOSA-N 2 2 311.429 3.366 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000346650498 264072989 /nfs/dbraw/zinc/07/29/89/264072989.db2.gz CKUYLOKRHSGQRW-KRWDZBQOSA-N 2 2 311.429 3.366 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000346684929 264079220 /nfs/dbraw/zinc/07/92/20/264079220.db2.gz SCXQOWBOCSOJIJ-CYBMUJFWSA-N 2 2 308.857 3.032 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000346684929 264079222 /nfs/dbraw/zinc/07/92/22/264079222.db2.gz SCXQOWBOCSOJIJ-CYBMUJFWSA-N 2 2 308.857 3.032 20 0 DGADLP CCOc1c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(C)nn1CC(C)C ZINC000346695136 264081809 /nfs/dbraw/zinc/08/18/09/264081809.db2.gz YMHUPEZEAWTCOB-KRWDZBQOSA-N 2 2 324.513 3.051 20 0 DGADLP CCOc1c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(C)nn1CC(C)C ZINC000346695136 264081811 /nfs/dbraw/zinc/08/18/11/264081811.db2.gz YMHUPEZEAWTCOB-KRWDZBQOSA-N 2 2 324.513 3.051 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000346699516 264082321 /nfs/dbraw/zinc/08/23/21/264082321.db2.gz CTTRQHARUIEUJM-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000346699516 264082323 /nfs/dbraw/zinc/08/23/23/264082323.db2.gz CTTRQHARUIEUJM-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000346789964 264097653 /nfs/dbraw/zinc/09/76/53/264097653.db2.gz FYIBMOIMYPGFGB-HOTGVXAUSA-N 2 2 301.478 3.460 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000347009904 264138937 /nfs/dbraw/zinc/13/89/37/264138937.db2.gz SPYDHSRMTQFRCY-GOEBONIOSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000347009904 264138939 /nfs/dbraw/zinc/13/89/39/264138939.db2.gz SPYDHSRMTQFRCY-GOEBONIOSA-N 2 2 306.450 3.186 20 0 DGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000347026410 264142573 /nfs/dbraw/zinc/14/25/73/264142573.db2.gz TVKRLEZBEWXPQX-ZDUSSCGKSA-N 2 2 308.853 3.442 20 0 DGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000347026410 264142576 /nfs/dbraw/zinc/14/25/76/264142576.db2.gz TVKRLEZBEWXPQX-ZDUSSCGKSA-N 2 2 308.853 3.442 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OCC ZINC000347032958 264143477 /nfs/dbraw/zinc/14/34/77/264143477.db2.gz AMCGEZCYNFZXCP-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OCC ZINC000347032958 264143479 /nfs/dbraw/zinc/14/34/79/264143479.db2.gz AMCGEZCYNFZXCP-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347037000 264145441 /nfs/dbraw/zinc/14/54/41/264145441.db2.gz FKEPUUGZHZBMIU-NWDGAFQWSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000347037000 264145443 /nfs/dbraw/zinc/14/54/43/264145443.db2.gz FKEPUUGZHZBMIU-NWDGAFQWSA-N 2 2 307.488 3.431 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OC(C)C ZINC000347034868 264145466 /nfs/dbraw/zinc/14/54/66/264145466.db2.gz DESJUZBLURKPKL-HOCLYGCPSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OC(C)C ZINC000347034868 264145468 /nfs/dbraw/zinc/14/54/68/264145468.db2.gz DESJUZBLURKPKL-HOCLYGCPSA-N 2 2 306.450 3.042 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000347065475 264150988 /nfs/dbraw/zinc/15/09/88/264150988.db2.gz LMGYIOMCXZHHCP-SWLSCSKDSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000347065475 264150989 /nfs/dbraw/zinc/15/09/89/264150989.db2.gz LMGYIOMCXZHHCP-SWLSCSKDSA-N 2 2 316.367 3.187 20 0 DGADLP CC(C)Cc1ncc(C[NH+]2CCC([NH2+]CC3CC3)CC2)s1 ZINC000347106821 264157443 /nfs/dbraw/zinc/15/74/43/264157443.db2.gz NQYHZUKZOVOIPV-UHFFFAOYSA-N 2 2 307.507 3.306 20 0 DGADLP CCc1cccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347116721 264159865 /nfs/dbraw/zinc/15/98/65/264159865.db2.gz XAMGRCCUFBOFLA-LJQANCHMSA-N 2 2 312.413 3.176 20 0 DGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347436120 264220439 /nfs/dbraw/zinc/22/04/39/264220439.db2.gz JDXSXTSQIHGONY-KSSFIOAISA-N 2 2 324.415 3.070 20 0 DGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347436120 264220441 /nfs/dbraw/zinc/22/04/41/264220441.db2.gz JDXSXTSQIHGONY-KSSFIOAISA-N 2 2 324.415 3.070 20 0 DGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2)cc[nH+]1 ZINC000347637701 264257091 /nfs/dbraw/zinc/25/70/91/264257091.db2.gz ZAXWGACNTWSLNA-UHFFFAOYSA-N 2 2 316.424 3.307 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cn1cccn1 ZINC000347726819 264274481 /nfs/dbraw/zinc/27/44/81/264274481.db2.gz BTNMXLOYKXJKTA-MJGOQNOKSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cn1cccn1 ZINC000347726819 264274484 /nfs/dbraw/zinc/27/44/84/264274484.db2.gz BTNMXLOYKXJKTA-MJGOQNOKSA-N 2 2 314.477 3.018 20 0 DGADLP CCS[C@H]1CCCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347812555 264288624 /nfs/dbraw/zinc/28/86/24/264288624.db2.gz LKBAERZRMNXYNG-ZDUSSCGKSA-N 2 2 313.536 3.312 20 0 DGADLP CCS[C@H]1CCCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347812555 264288625 /nfs/dbraw/zinc/28/86/25/264288625.db2.gz LKBAERZRMNXYNG-ZDUSSCGKSA-N 2 2 313.536 3.312 20 0 DGADLP C[C@H]1c2ccccc2CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347826623 264290144 /nfs/dbraw/zinc/29/01/44/264290144.db2.gz XNTWTXQTYIUDCW-ZDUSSCGKSA-N 2 2 301.459 3.324 20 0 DGADLP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347826623 264290145 /nfs/dbraw/zinc/29/01/45/264290145.db2.gz XNTWTXQTYIUDCW-ZDUSSCGKSA-N 2 2 301.459 3.324 20 0 DGADLP CC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)[C@H](CC)CN1C(C)=O ZINC000347857530 264297071 /nfs/dbraw/zinc/29/70/71/264297071.db2.gz OXXJQXWANYAPLL-RTBURBONSA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)[C@H](CC)CN1C(C)=O ZINC000347857530 264297072 /nfs/dbraw/zinc/29/70/72/264297072.db2.gz OXXJQXWANYAPLL-RTBURBONSA-N 2 2 317.477 3.044 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)s1 ZINC000347868981 264298800 /nfs/dbraw/zinc/29/88/00/264298800.db2.gz DTOWFZIHLMCUPI-KGLIPLIRSA-N 2 2 311.520 3.065 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)s1 ZINC000347868981 264298803 /nfs/dbraw/zinc/29/88/03/264298803.db2.gz DTOWFZIHLMCUPI-KGLIPLIRSA-N 2 2 311.520 3.065 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)s1 ZINC000347875868 264299657 /nfs/dbraw/zinc/29/96/57/264299657.db2.gz XPULWYIILCMZKO-HNNXBMFYSA-N 2 2 323.506 3.128 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)s1 ZINC000347875868 264299659 /nfs/dbraw/zinc/29/96/59/264299659.db2.gz XPULWYIILCMZKO-HNNXBMFYSA-N 2 2 323.506 3.128 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1CSCCc2ccccc21)[NH+]1CCCC1 ZINC000347926905 264307763 /nfs/dbraw/zinc/30/77/63/264307763.db2.gz TVYJHHPMAYMEKZ-FUHWJXTLSA-N 2 2 304.503 3.481 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960068 264314561 /nfs/dbraw/zinc/31/45/61/264314561.db2.gz OZEXVYUTVLXIHE-HIFRSBDPSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960068 264314564 /nfs/dbraw/zinc/31/45/64/264314564.db2.gz OZEXVYUTVLXIHE-HIFRSBDPSA-N 2 2 303.450 3.295 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000348008487 264322240 /nfs/dbraw/zinc/32/22/40/264322240.db2.gz IHEPISRWOOOHQO-GJZGRUSLSA-N 3 2 300.450 3.172 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000348184079 264359148 /nfs/dbraw/zinc/35/91/48/264359148.db2.gz FMCGYOSIBXYKAS-RHSMWYFYSA-N 3 2 321.428 3.043 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCCOC1 ZINC000348318529 264388784 /nfs/dbraw/zinc/38/87/84/264388784.db2.gz KQHPVBHAZREZHF-OALUTQOASA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCCOC1 ZINC000348318529 264388786 /nfs/dbraw/zinc/38/87/86/264388786.db2.gz KQHPVBHAZREZHF-OALUTQOASA-N 2 2 304.478 3.159 20 0 DGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCCSC1 ZINC000348361176 264397070 /nfs/dbraw/zinc/39/70/70/264397070.db2.gz RYQOGECYRJOZQM-QGZVFWFLSA-N 2 2 308.491 3.167 20 0 DGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCCSC1 ZINC000348361176 264397071 /nfs/dbraw/zinc/39/70/71/264397071.db2.gz RYQOGECYRJOZQM-QGZVFWFLSA-N 2 2 308.491 3.167 20 0 DGADLP CC(C)(C)OC1CC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348838966 264457810 /nfs/dbraw/zinc/45/78/10/264457810.db2.gz SDCPQCFIVKHKPS-UHFFFAOYSA-N 2 2 300.406 3.084 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1C(C)(C)C ZINC000349424043 264520466 /nfs/dbraw/zinc/52/04/66/264520466.db2.gz YAZNLKVKBFHXQO-UHFFFAOYSA-N 2 2 306.498 3.025 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1C(C)(C)C ZINC000349424043 264520468 /nfs/dbraw/zinc/52/04/68/264520468.db2.gz YAZNLKVKBFHXQO-UHFFFAOYSA-N 2 2 306.498 3.025 20 0 DGADLP CC[N@H+](CC[NH2+]C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000352319229 265000087 /nfs/dbraw/zinc/00/00/87/265000087.db2.gz HNUCCNPRYKCGPY-DTQAZKPQSA-N 2 2 302.462 3.310 20 0 DGADLP CC[N@@H+](CC[NH2+]C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000352319229 265000090 /nfs/dbraw/zinc/00/00/90/265000090.db2.gz HNUCCNPRYKCGPY-DTQAZKPQSA-N 2 2 302.462 3.310 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000352338367 265007640 /nfs/dbraw/zinc/00/76/40/265007640.db2.gz RCROBNCHBVAPKN-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000352338367 265007644 /nfs/dbraw/zinc/00/76/44/265007644.db2.gz RCROBNCHBVAPKN-CYBMUJFWSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352489200 265067253 /nfs/dbraw/zinc/06/72/53/265067253.db2.gz YRSFZZPWRDCJHM-MRXNPFEDSA-N 2 2 317.477 3.260 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352489200 265067256 /nfs/dbraw/zinc/06/72/56/265067256.db2.gz YRSFZZPWRDCJHM-MRXNPFEDSA-N 2 2 317.477 3.260 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494359 265068962 /nfs/dbraw/zinc/06/89/62/265068962.db2.gz ASIKPUUIKDSHRN-DOXZYTNZSA-N 2 2 311.429 3.475 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000352494359 265068967 /nfs/dbraw/zinc/06/89/67/265068967.db2.gz ASIKPUUIKDSHRN-DOXZYTNZSA-N 2 2 311.429 3.475 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCCOC1 ZINC000352518419 265077021 /nfs/dbraw/zinc/07/70/21/265077021.db2.gz IBAZPIWZXUHASL-OGWHTMIXSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCCOC1 ZINC000352518419 265077024 /nfs/dbraw/zinc/07/70/24/265077024.db2.gz IBAZPIWZXUHASL-OGWHTMIXSA-N 2 2 302.462 3.054 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000352544430 265084688 /nfs/dbraw/zinc/08/46/88/265084688.db2.gz AMBFZIVAANVZJQ-INIZCTEOSA-N 2 2 319.499 3.447 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000352544430 265084690 /nfs/dbraw/zinc/08/46/90/265084690.db2.gz AMBFZIVAANVZJQ-INIZCTEOSA-N 2 2 319.499 3.447 20 0 DGADLP CC(C)(C)OC1CC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000352556218 265087286 /nfs/dbraw/zinc/08/72/86/265087286.db2.gz WWHXSKCCTRQVPH-UHFFFAOYSA-N 2 2 313.445 3.367 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1OCc1ccccc1 ZINC000352685794 265129245 /nfs/dbraw/zinc/12/92/45/265129245.db2.gz WJHACJSNDCIVNO-QZTJIDSGSA-N 2 2 313.445 3.247 20 0 DGADLP CCSc1cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)ccn1 ZINC000352739488 265146875 /nfs/dbraw/zinc/14/68/75/265146875.db2.gz YZRFRBCDYYFJNW-UHFFFAOYSA-N 2 2 322.503 3.002 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2c[nH+]ccc2OC(C)(C)C)s1 ZINC000352760345 265155607 /nfs/dbraw/zinc/15/56/07/265155607.db2.gz OTCMOMSDHMPNPQ-UHFFFAOYSA-N 2 2 320.462 3.389 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cnc3ccccc3c2)s1 ZINC000352760126 265156549 /nfs/dbraw/zinc/15/65/49/265156549.db2.gz NVFFFKLCEZFPMY-UHFFFAOYSA-N 2 2 312.442 3.043 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352778017 265162583 /nfs/dbraw/zinc/16/25/83/265162583.db2.gz DXSRISOKSCEIRG-GFCCVEGCSA-N 2 2 305.447 3.064 20 0 DGADLP CC[C@@](C)([NH2+]Cc1ncc(C[NH+](C)C)s1)c1nc(C)cs1 ZINC000352786769 265165826 /nfs/dbraw/zinc/16/58/26/265165826.db2.gz JIBIBNDDQZDAJW-OAHLLOKOSA-N 2 2 324.519 3.385 20 0 DGADLP Cc1cccc(OC[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352810453 265177141 /nfs/dbraw/zinc/17/71/41/265177141.db2.gz CDSCKKSXWIBLPH-AWEZNQCLSA-N 2 2 319.474 3.070 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)on1 ZINC000352828080 265185960 /nfs/dbraw/zinc/18/59/60/265185960.db2.gz XAEIJUDKBBETBV-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)on1 ZINC000352828080 265185961 /nfs/dbraw/zinc/18/59/61/265185961.db2.gz XAEIJUDKBBETBV-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)on1 ZINC000352828080 265185964 /nfs/dbraw/zinc/18/59/64/265185964.db2.gz XAEIJUDKBBETBV-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)on1 ZINC000352828080 265185965 /nfs/dbraw/zinc/18/59/65/265185965.db2.gz XAEIJUDKBBETBV-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930468 265235562 /nfs/dbraw/zinc/23/55/62/265235562.db2.gz KRLIATBIOZVDAP-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930468 265235565 /nfs/dbraw/zinc/23/55/65/265235565.db2.gz KRLIATBIOZVDAP-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930468 265235569 /nfs/dbraw/zinc/23/55/69/265235569.db2.gz KRLIATBIOZVDAP-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930468 265235573 /nfs/dbraw/zinc/23/55/73/265235573.db2.gz KRLIATBIOZVDAP-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042285 265277998 /nfs/dbraw/zinc/27/79/98/265277998.db2.gz ZUOYCAYIMIOZGE-PSBWJHGTSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042285 265278001 /nfs/dbraw/zinc/27/80/01/265278001.db2.gz ZUOYCAYIMIOZGE-PSBWJHGTSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cncc1F ZINC000353146500 265317191 /nfs/dbraw/zinc/31/71/91/265317191.db2.gz XONBTEAWWAESGR-GFCCVEGCSA-N 2 2 314.339 3.396 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccccc3OC)CCC2)C1 ZINC000353158064 265321945 /nfs/dbraw/zinc/32/19/45/265321945.db2.gz VLUWFRCUVSQJFT-WBVHZDCISA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccccc3OC)CCC2)C1 ZINC000353158064 265321949 /nfs/dbraw/zinc/32/19/49/265321949.db2.gz VLUWFRCUVSQJFT-WBVHZDCISA-N 2 2 302.462 3.047 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2conc2Cc2ccccc2)CC1 ZINC000353205745 265343048 /nfs/dbraw/zinc/34/30/48/265343048.db2.gz QARILKXBZDRBGR-SFHVURJKSA-N 2 2 313.445 3.182 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2conc2Cc2ccccc2)CC1 ZINC000353205745 265343050 /nfs/dbraw/zinc/34/30/50/265343050.db2.gz QARILKXBZDRBGR-SFHVURJKSA-N 2 2 313.445 3.182 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219484 266003619 /nfs/dbraw/zinc/00/36/19/266003619.db2.gz JPZLDTLSVSMAPF-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219484 266003621 /nfs/dbraw/zinc/00/36/21/266003621.db2.gz JPZLDTLSVSMAPF-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219484 266003623 /nfs/dbraw/zinc/00/36/23/266003623.db2.gz JPZLDTLSVSMAPF-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219484 266003625 /nfs/dbraw/zinc/00/36/25/266003625.db2.gz JPZLDTLSVSMAPF-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP COCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000355227851 266007725 /nfs/dbraw/zinc/00/77/25/266007725.db2.gz VMZMTBPOIFGWFT-KRWDZBQOSA-N 2 2 314.429 3.038 20 0 DGADLP COCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000355227851 266007729 /nfs/dbraw/zinc/00/77/29/266007729.db2.gz VMZMTBPOIFGWFT-KRWDZBQOSA-N 2 2 314.429 3.038 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000355306524 266032888 /nfs/dbraw/zinc/03/28/88/266032888.db2.gz BNGKVZXKYQXJKZ-GOSISDBHSA-N 2 2 323.440 3.462 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C3CC([NH+]4CCCCC4)C3)sc2C1 ZINC000355588441 266123191 /nfs/dbraw/zinc/12/31/91/266123191.db2.gz WHPVAXBGUJJDAU-NFOMZHRRSA-N 2 2 319.518 3.374 20 0 DGADLP CSC1(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000356172906 266307160 /nfs/dbraw/zinc/30/71/60/266307160.db2.gz FIZCOPPGFDPEAN-UHFFFAOYSA-N 2 2 301.459 3.307 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc[nH+]1 ZINC000172762109 432233955 /nfs/dbraw/zinc/23/39/55/432233955.db2.gz ZOEDQUGRSUSUHT-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191287451 432245282 /nfs/dbraw/zinc/24/52/82/432245282.db2.gz JIQLDPXDEULEFW-WDEREUQCSA-N 2 2 301.228 3.005 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1csc(Cl)c1)C[NH+]1CCOCC1 ZINC000191299751 432247553 /nfs/dbraw/zinc/24/75/53/432247553.db2.gz FWKPWCIQODJNHL-VXGBXAGGSA-N 2 2 302.871 3.020 20 0 DGADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000359870740 271004452 /nfs/dbraw/zinc/00/44/52/271004452.db2.gz JGNLQCZTLBNFIO-QGZVFWFLSA-N 2 2 315.465 3.449 20 0 DGADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn(C(C)C)c1 ZINC000359870740 271004455 /nfs/dbraw/zinc/00/44/55/271004455.db2.gz JGNLQCZTLBNFIO-QGZVFWFLSA-N 2 2 315.465 3.449 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885420 271009970 /nfs/dbraw/zinc/00/99/70/271009970.db2.gz KGWPVOJJLKJTHI-FUHWJXTLSA-N 2 2 302.462 3.372 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885420 271009972 /nfs/dbraw/zinc/00/99/72/271009972.db2.gz KGWPVOJJLKJTHI-FUHWJXTLSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885420 271009974 /nfs/dbraw/zinc/00/99/74/271009974.db2.gz KGWPVOJJLKJTHI-FUHWJXTLSA-N 2 2 302.462 3.372 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000359885420 271009975 /nfs/dbraw/zinc/00/99/75/271009975.db2.gz KGWPVOJJLKJTHI-FUHWJXTLSA-N 2 2 302.462 3.372 20 0 DGADLP Clc1cnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000367612372 271050991 /nfs/dbraw/zinc/05/09/91/271050991.db2.gz NFPIRMLUQJHPJH-JTQLQIEISA-N 2 2 311.216 3.491 20 0 DGADLP Clc1cnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000367612372 271050996 /nfs/dbraw/zinc/05/09/96/271050996.db2.gz NFPIRMLUQJHPJH-JTQLQIEISA-N 2 2 311.216 3.491 20 0 DGADLP Cc1ncccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000367658003 271060139 /nfs/dbraw/zinc/06/01/39/271060139.db2.gz LWMGJIARYCVZHH-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ncccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000367658003 271060142 /nfs/dbraw/zinc/06/01/42/271060142.db2.gz LWMGJIARYCVZHH-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367697238 271066184 /nfs/dbraw/zinc/06/61/84/271066184.db2.gz CBKWEFAGWRWVFY-ZBFHGGJFSA-N 2 2 301.409 3.370 20 0 DGADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367697238 271066188 /nfs/dbraw/zinc/06/61/88/271066188.db2.gz CBKWEFAGWRWVFY-ZBFHGGJFSA-N 2 2 301.409 3.370 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000367887397 271093182 /nfs/dbraw/zinc/09/31/82/271093182.db2.gz RVHDQPVDHNQPDR-AYOQOUSVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)CC[N@H+]1Cc1ccccc1 ZINC000367887397 271093186 /nfs/dbraw/zinc/09/31/86/271093186.db2.gz RVHDQPVDHNQPDR-AYOQOUSVSA-N 2 2 324.472 3.050 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000368054416 271124304 /nfs/dbraw/zinc/12/43/04/271124304.db2.gz CXTIOUOGUQUIDY-UHFFFAOYSA-N 2 2 313.401 3.299 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368539181 271167741 /nfs/dbraw/zinc/16/77/41/271167741.db2.gz RRQFCERENXGTAS-ARFHVFGLSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368539181 271167744 /nfs/dbraw/zinc/16/77/44/271167744.db2.gz RRQFCERENXGTAS-ARFHVFGLSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c2)[nH+]c1C ZINC000369058469 271236385 /nfs/dbraw/zinc/23/63/85/271236385.db2.gz PUJKDCVULMYXCY-MRXNPFEDSA-N 2 2 314.433 3.218 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cnn1C(C)C ZINC000191331971 432251601 /nfs/dbraw/zinc/25/16/01/432251601.db2.gz LPAVVZAZFGBQRT-CQSZACIVSA-N 2 2 301.438 3.320 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000247886373 432252610 /nfs/dbraw/zinc/25/26/10/432252610.db2.gz DCXXZZCIIBTAAC-FXAWDEMLSA-N 2 2 309.457 3.124 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000247886373 432252614 /nfs/dbraw/zinc/25/26/14/432252614.db2.gz DCXXZZCIIBTAAC-FXAWDEMLSA-N 2 2 309.457 3.124 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000337383630 273814941 /nfs/dbraw/zinc/81/49/41/273814941.db2.gz KCQQYMJLYPPLKB-OALUTQOASA-N 2 2 316.489 3.098 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000316686895 274139190 /nfs/dbraw/zinc/13/91/90/274139190.db2.gz NQLJUEHUZURHBA-QYZOEREBSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000316686895 274139191 /nfs/dbraw/zinc/13/91/91/274139191.db2.gz NQLJUEHUZURHBA-QYZOEREBSA-N 2 2 300.446 3.289 20 0 DGADLP CS[C@@H]1CN(c2cc[nH+]c3ccsc32)C[C@H]1[NH+]1CCCC1 ZINC000445606509 274182801 /nfs/dbraw/zinc/18/28/01/274182801.db2.gz CACAIKMLPZDNME-HUUCEWRRSA-N 2 2 319.499 3.312 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422772332 274229646 /nfs/dbraw/zinc/22/96/46/274229646.db2.gz WXSUJKSUSKWQCX-DLBZAZTESA-N 2 2 312.461 3.273 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000422939946 274229657 /nfs/dbraw/zinc/22/96/57/274229657.db2.gz MMOWMFIFNWOPFQ-XJKSGUPXSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132017978 274247161 /nfs/dbraw/zinc/24/71/61/274247161.db2.gz ZPKYJWXDNWRETQ-QGZVFWFLSA-N 2 2 312.461 3.399 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253194692 274302682 /nfs/dbraw/zinc/30/26/82/274302682.db2.gz QMZCEUNPTVRUNT-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253194692 274302684 /nfs/dbraw/zinc/30/26/84/274302684.db2.gz QMZCEUNPTVRUNT-ZYHUDNBSSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000289791533 274429631 /nfs/dbraw/zinc/42/96/31/274429631.db2.gz LXYPETQFPKOZRS-CJNGLKHVSA-N 2 2 318.852 3.046 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccccc43)CC2)cc1 ZINC000114850690 275066887 /nfs/dbraw/zinc/06/68/87/275066887.db2.gz PPPMEXHHUDGAPZ-LJQANCHMSA-N 2 2 308.425 3.374 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414950507 275067523 /nfs/dbraw/zinc/06/75/23/275067523.db2.gz FGGWMYSPBGXEGX-OAQYLSRUSA-N 2 2 321.468 3.132 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423567848 275372387 /nfs/dbraw/zinc/37/23/87/275372387.db2.gz VBPCVEPGDMRCJL-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)(C)CC[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415124529 275510835 /nfs/dbraw/zinc/51/08/35/275510835.db2.gz CLIQPDTWLGZZQY-UHFFFAOYSA-N 3 2 303.494 3.006 20 0 DGADLP CCCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667558 275985141 /nfs/dbraw/zinc/98/51/41/275985141.db2.gz UQZDRODXQZPXKQ-QFBILLFUSA-N 2 2 319.493 3.402 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000336854479 276020783 /nfs/dbraw/zinc/02/07/83/276020783.db2.gz OZNJYRNGPWXBID-MRXNPFEDSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000336854479 276020784 /nfs/dbraw/zinc/02/07/84/276020784.db2.gz OZNJYRNGPWXBID-MRXNPFEDSA-N 2 2 305.397 3.286 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414359189 276041759 /nfs/dbraw/zinc/04/17/59/276041759.db2.gz NMMQENGCLPFULT-QGZVFWFLSA-N 2 2 314.477 3.377 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268739727 276152192 /nfs/dbraw/zinc/15/21/92/276152192.db2.gz RQXYZUPTJIUQSC-XLIONFOSSA-N 3 2 315.505 3.113 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268739727 276152193 /nfs/dbraw/zinc/15/21/93/276152193.db2.gz RQXYZUPTJIUQSC-XLIONFOSSA-N 3 2 315.505 3.113 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000455505492 276213137 /nfs/dbraw/zinc/21/31/37/276213137.db2.gz XFOCWPMZXZEWDH-GDBMZVCRSA-N 2 2 318.465 3.343 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000455505492 276213138 /nfs/dbraw/zinc/21/31/38/276213138.db2.gz XFOCWPMZXZEWDH-GDBMZVCRSA-N 2 2 318.465 3.343 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939954 276225463 /nfs/dbraw/zinc/22/54/63/276225463.db2.gz QWFBMHWDJANCJJ-HOCLYGCPSA-N 2 2 306.498 3.022 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939954 276225464 /nfs/dbraw/zinc/22/54/64/276225464.db2.gz QWFBMHWDJANCJJ-HOCLYGCPSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939954 276225465 /nfs/dbraw/zinc/22/54/65/276225465.db2.gz QWFBMHWDJANCJJ-HOCLYGCPSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C ZINC000342939954 276225466 /nfs/dbraw/zinc/22/54/66/276225466.db2.gz QWFBMHWDJANCJJ-HOCLYGCPSA-N 2 2 306.498 3.022 20 0 DGADLP c1cn(CCCNc2ccc(-c3ccc4c(c3)CCO4)c[nH+]2)c[nH+]1 ZINC000629722340 429962878 /nfs/dbraw/zinc/96/28/78/429962878.db2.gz ONHXSXIXUSPQEX-UHFFFAOYSA-N 2 2 320.396 3.382 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000493952638 276866371 /nfs/dbraw/zinc/86/63/71/276866371.db2.gz MLWUFIIBSJOZFA-RBUKOAKNSA-N 2 2 310.441 3.273 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340180926 277169688 /nfs/dbraw/zinc/16/96/88/277169688.db2.gz HTNZNZFXSZQYHB-ICSRJNTNSA-N 3 2 313.489 3.038 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340180926 277169689 /nfs/dbraw/zinc/16/96/89/277169689.db2.gz HTNZNZFXSZQYHB-ICSRJNTNSA-N 3 2 313.489 3.038 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1csc(Cl)c1 ZINC000345282132 277622514 /nfs/dbraw/zinc/62/25/14/277622514.db2.gz YPAGULDVYKKFAS-OCCSQVGLSA-N 2 2 316.898 3.145 20 0 DGADLP CCc1cc(NC[C@H](Cc2ccccc2)[NH+](CC)CC)nc[nH+]1 ZINC000603381152 430547937 /nfs/dbraw/zinc/54/79/37/430547937.db2.gz MONVSACWSPUJSX-SFHVURJKSA-N 2 2 312.461 3.404 20 0 DGADLP CCc1cc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)nc[nH+]1 ZINC000603389939 430548074 /nfs/dbraw/zinc/54/80/74/430548074.db2.gz QYVGGEWGVHJSET-HNNXBMFYSA-N 2 2 300.406 3.189 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430958939 278054720 /nfs/dbraw/zinc/05/47/20/278054720.db2.gz UXISDQKMDNNCTI-HNNXBMFYSA-N 2 2 317.477 3.153 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430958939 278054722 /nfs/dbraw/zinc/05/47/22/278054722.db2.gz UXISDQKMDNNCTI-HNNXBMFYSA-N 2 2 317.477 3.153 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422970241 278311693 /nfs/dbraw/zinc/31/16/93/278311693.db2.gz WAMPUSSOAOIGFP-FSPWUOQZSA-N 2 2 314.404 3.197 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C(C)(C)O1 ZINC000180188694 278388025 /nfs/dbraw/zinc/38/80/25/278388025.db2.gz GOUWPGJNFRYVCU-ZDUSSCGKSA-N 2 2 322.415 3.339 20 0 DGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152838023 279014509 /nfs/dbraw/zinc/01/45/09/279014509.db2.gz NPOOGWZFLBFLTD-YJYMSZOUSA-N 2 2 313.420 3.424 20 0 DGADLP Cc1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c([nH+]1)CCCC2 ZINC000302046573 279112737 /nfs/dbraw/zinc/11/27/37/279112737.db2.gz LBOQOTWTJLMTNI-UHFFFAOYSA-N 2 2 302.466 3.385 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC2(C)CCC2)[C@@H]1c1cnn(C)c1 ZINC000432796144 279292170 /nfs/dbraw/zinc/29/21/70/279292170.db2.gz FNFGNCSMSNPJCY-FUHWJXTLSA-N 2 2 318.509 3.315 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC2(C)CCC2)[C@@H]1c1cnn(C)c1 ZINC000432796144 279292171 /nfs/dbraw/zinc/29/21/71/279292171.db2.gz FNFGNCSMSNPJCY-FUHWJXTLSA-N 2 2 318.509 3.315 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC2(C)CCC2)[C@@H]1c1cnn(C)c1 ZINC000432796144 279292172 /nfs/dbraw/zinc/29/21/72/279292172.db2.gz FNFGNCSMSNPJCY-FUHWJXTLSA-N 2 2 318.509 3.315 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC2(C)CCC2)[C@@H]1c1cnn(C)c1 ZINC000432796144 279292173 /nfs/dbraw/zinc/29/21/73/279292173.db2.gz FNFGNCSMSNPJCY-FUHWJXTLSA-N 2 2 318.509 3.315 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCC(C)(C)c2ccccc21 ZINC000423010919 279369306 /nfs/dbraw/zinc/36/93/06/279369306.db2.gz AGZOQTZQNSSLRR-BRWVUGGUSA-N 2 2 316.489 3.198 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000422715664 279369408 /nfs/dbraw/zinc/36/94/08/279369408.db2.gz SNNVRSGHYXOSKR-GSEOLPGOSA-N 2 2 316.489 3.145 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000422917082 279373030 /nfs/dbraw/zinc/37/30/30/279373030.db2.gz FMBJJBIKHZZVII-UPJWGTAASA-N 2 2 316.367 3.123 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)s1 ZINC000305168934 279481872 /nfs/dbraw/zinc/48/18/72/279481872.db2.gz ZEUYUOHPUNHBAA-STQMWFEESA-N 2 2 316.898 3.145 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803455 431222433 /nfs/dbraw/zinc/22/24/33/431222433.db2.gz UIZYOLMGOWDOFV-MJGOQNOKSA-N 2 2 302.462 3.182 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803455 431222438 /nfs/dbraw/zinc/22/24/38/431222438.db2.gz UIZYOLMGOWDOFV-MJGOQNOKSA-N 2 2 302.462 3.182 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174323 431242070 /nfs/dbraw/zinc/24/20/70/431242070.db2.gz CANNMWKNLKFDDW-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174323 431242074 /nfs/dbraw/zinc/24/20/74/431242074.db2.gz CANNMWKNLKFDDW-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000070143235 431242456 /nfs/dbraw/zinc/24/24/56/431242456.db2.gz YCMIVRVXCMVLIO-GFCCVEGCSA-N 2 2 304.463 3.059 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nnc(C)o1 ZINC000112518389 431279376 /nfs/dbraw/zinc/27/93/76/431279376.db2.gz NJKWGWXLHZRPQM-CYBMUJFWSA-N 2 2 302.422 3.071 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000113513392 431350939 /nfs/dbraw/zinc/35/09/39/431350939.db2.gz HZUICWBDJNPZQG-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000113513392 431350943 /nfs/dbraw/zinc/35/09/43/431350943.db2.gz HZUICWBDJNPZQG-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000422744848 279913541 /nfs/dbraw/zinc/91/35/41/279913541.db2.gz KXZLZNOXBKYNMB-JKIFEVAISA-N 2 2 310.869 3.394 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000076898118 431565036 /nfs/dbraw/zinc/56/50/36/431565036.db2.gz OUEUGHKEQFFBMQ-LBPRGKRZSA-N 2 2 317.260 3.194 20 0 DGADLP CC[C@@H](C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231911 280140158 /nfs/dbraw/zinc/14/01/58/280140158.db2.gz DKNSSQWMHSHQLJ-HOTGVXAUSA-N 2 2 301.434 3.234 20 0 DGADLP CC[C@@H](C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231911 280140162 /nfs/dbraw/zinc/14/01/62/280140162.db2.gz DKNSSQWMHSHQLJ-HOTGVXAUSA-N 2 2 301.434 3.234 20 0 DGADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000119209855 431659478 /nfs/dbraw/zinc/65/94/78/431659478.db2.gz YNIABCDHUNPJDA-QGZVFWFLSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000119209855 431659483 /nfs/dbraw/zinc/65/94/83/431659483.db2.gz YNIABCDHUNPJDA-QGZVFWFLSA-N 2 2 319.493 3.489 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc(CO)c2)[NH+](C)C)cc1 ZINC000121513930 431796966 /nfs/dbraw/zinc/79/69/66/431796966.db2.gz ZEMOUJGMHLJKKH-UZLBHIALSA-N 2 2 312.457 3.441 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]Cc3cc[nH]c3)CC2)cc1 ZINC000086249705 431844622 /nfs/dbraw/zinc/84/46/22/431844622.db2.gz HNTZCXINJKAGRX-UHFFFAOYSA-N 2 2 303.837 3.422 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Br ZINC000037157920 431845032 /nfs/dbraw/zinc/84/50/32/431845032.db2.gz WBGBLKOTXJLSRT-RYUDHWBXSA-N 2 2 308.223 3.385 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000122818130 431845073 /nfs/dbraw/zinc/84/50/73/431845073.db2.gz PTHHSVSUBHFKDC-RISCZKNCSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1[NH3+] ZINC000122818130 431845075 /nfs/dbraw/zinc/84/50/75/431845075.db2.gz PTHHSVSUBHFKDC-RISCZKNCSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000122879462 431847315 /nfs/dbraw/zinc/84/73/15/431847315.db2.gz MSWPKJJJAQWLHO-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1[NH3+] ZINC000122879462 431847317 /nfs/dbraw/zinc/84/73/17/431847317.db2.gz MSWPKJJJAQWLHO-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP CCC[N@H+](Cc1cc(-c2cccs2)on1)C1CC[NH2+]CC1 ZINC000037539080 431847703 /nfs/dbraw/zinc/84/77/03/431847703.db2.gz QVCPCRMKXYOLJE-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCC[N@@H+](Cc1cc(-c2cccs2)on1)C1CC[NH2+]CC1 ZINC000037539080 431847706 /nfs/dbraw/zinc/84/77/06/431847706.db2.gz QVCPCRMKXYOLJE-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc3cc(C)ccn23)C1 ZINC000122879778 431848301 /nfs/dbraw/zinc/84/83/01/431848301.db2.gz UMZYOFDHKHZIRG-INIZCTEOSA-N 2 2 323.444 3.239 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc3cc(C)ccn23)C1 ZINC000122879778 431848303 /nfs/dbraw/zinc/84/83/03/431848303.db2.gz UMZYOFDHKHZIRG-INIZCTEOSA-N 2 2 323.444 3.239 20 0 DGADLP COc1ccc2oc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2c1 ZINC000123023974 431852102 /nfs/dbraw/zinc/85/21/02/431852102.db2.gz OKIULRZDFQDHFT-UHFFFAOYSA-N 2 2 300.402 3.158 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000037979288 431852116 /nfs/dbraw/zinc/85/21/16/431852116.db2.gz XPNMTZVIOKMNCC-UHFFFAOYSA-N 2 2 302.340 3.159 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]Cc1ccn(C)c1)c1cccc(OC)c1 ZINC000123017243 431852660 /nfs/dbraw/zinc/85/26/60/431852660.db2.gz JVOGWWLDQRMVIX-LJQANCHMSA-N 2 2 315.461 3.206 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000040592747 431857935 /nfs/dbraw/zinc/85/79/35/431857935.db2.gz LSBRFJNLXYGHCW-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000040592747 431857936 /nfs/dbraw/zinc/85/79/36/431857936.db2.gz LSBRFJNLXYGHCW-CHWSQXEVSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125003879 431911394 /nfs/dbraw/zinc/91/13/94/431911394.db2.gz ACJYZDPAHZMIEH-UTRMSSBJSA-N 2 2 311.429 3.481 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000127377436 431971202 /nfs/dbraw/zinc/97/12/02/431971202.db2.gz KOLKEVCPMPJTCH-VQIMIIECSA-N 2 2 313.445 3.352 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000127377436 431971203 /nfs/dbraw/zinc/97/12/03/431971203.db2.gz KOLKEVCPMPJTCH-VQIMIIECSA-N 2 2 313.445 3.352 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cccc1OCC ZINC000125512070 431928531 /nfs/dbraw/zinc/92/85/31/431928531.db2.gz FEAPVIMPOITMGW-INIZCTEOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cccc1OCC ZINC000125512070 431928534 /nfs/dbraw/zinc/92/85/34/431928534.db2.gz FEAPVIMPOITMGW-INIZCTEOSA-N 2 2 320.477 3.258 20 0 DGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000126466453 431950130 /nfs/dbraw/zinc/95/01/30/431950130.db2.gz VIONJCHSAMBWJP-HNNXBMFYSA-N 2 2 305.809 3.348 20 0 DGADLP CC(C)COc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000126496395 431951717 /nfs/dbraw/zinc/95/17/17/431951717.db2.gz QMKFRVIJFCTGBC-MRXNPFEDSA-N 2 2 301.434 3.344 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCOC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000192519654 280988952 /nfs/dbraw/zinc/98/89/52/280988952.db2.gz NOEMHRCMXDVWOW-WDSOQIARSA-N 2 2 302.462 3.147 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000097444942 431969482 /nfs/dbraw/zinc/96/94/82/431969482.db2.gz BUEVOQHMWYIHBZ-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000097444942 431969483 /nfs/dbraw/zinc/96/94/83/431969483.db2.gz BUEVOQHMWYIHBZ-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000127805101 431981298 /nfs/dbraw/zinc/98/12/98/431981298.db2.gz GIYOIYHFKTWXRK-IUODEOHRSA-N 2 2 301.409 3.064 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000127805101 431981300 /nfs/dbraw/zinc/98/13/00/431981300.db2.gz GIYOIYHFKTWXRK-IUODEOHRSA-N 2 2 301.409 3.064 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000127804888 431981630 /nfs/dbraw/zinc/98/16/30/431981630.db2.gz GIYOIYHFKTWXRK-WFASDCNBSA-N 2 2 301.409 3.064 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000127804888 431981632 /nfs/dbraw/zinc/98/16/32/431981632.db2.gz GIYOIYHFKTWXRK-WFASDCNBSA-N 2 2 301.409 3.064 20 0 DGADLP CC(C)(C)[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000127821297 431981694 /nfs/dbraw/zinc/98/16/94/431981694.db2.gz NSPCDLTZWMVTNX-QGZVFWFLSA-N 2 2 312.461 3.352 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000101544069 431985536 /nfs/dbraw/zinc/98/55/36/431985536.db2.gz XXLROJOTECIDDS-FQEVSTJZSA-N 2 2 319.408 3.446 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCO[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000101544069 431985537 /nfs/dbraw/zinc/98/55/37/431985537.db2.gz XXLROJOTECIDDS-FQEVSTJZSA-N 2 2 319.408 3.446 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]CC2=Cc3ccccc3OC2)c[nH+]1 ZINC000102424423 431993453 /nfs/dbraw/zinc/99/34/53/431993453.db2.gz GENKEZZGDVKTDU-UHFFFAOYSA-N 2 2 317.392 3.438 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000414344078 281358422 /nfs/dbraw/zinc/35/84/22/281358422.db2.gz CBQQYBPIVOHRRP-KRWDZBQOSA-N 2 2 300.450 3.281 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000183227732 432270661 /nfs/dbraw/zinc/27/06/61/432270661.db2.gz RVVIAJAWLSCNMC-GFCCVEGCSA-N 2 2 322.416 3.027 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000183365421 432286123 /nfs/dbraw/zinc/28/61/23/432286123.db2.gz OSSBWVNNPDYDGU-SFHVURJKSA-N 2 2 316.493 3.115 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248473132 432294272 /nfs/dbraw/zinc/29/42/72/432294272.db2.gz WQYITMRFEBLMGF-DOTOQJQBSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248473132 432294276 /nfs/dbraw/zinc/29/42/76/432294276.db2.gz WQYITMRFEBLMGF-DOTOQJQBSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248473132 432294279 /nfs/dbraw/zinc/29/42/79/432294279.db2.gz WQYITMRFEBLMGF-DOTOQJQBSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248473132 432294283 /nfs/dbraw/zinc/29/42/83/432294283.db2.gz WQYITMRFEBLMGF-DOTOQJQBSA-N 2 2 322.493 3.057 20 0 DGADLP c1ccc2[nH+]c(NCc3cccc(C[NH+]4CCOCC4)c3)[nH]c2c1 ZINC000270585861 432261708 /nfs/dbraw/zinc/26/17/08/432261708.db2.gz RLQIZZXBVVCYKN-UHFFFAOYSA-N 2 2 322.412 3.007 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000248795155 432318028 /nfs/dbraw/zinc/31/80/28/432318028.db2.gz JCQJACKDWVCBKJ-XGHQBKJUSA-N 2 2 324.468 3.350 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(CO)c1 ZINC000248795155 432318031 /nfs/dbraw/zinc/31/80/31/432318031.db2.gz JCQJACKDWVCBKJ-XGHQBKJUSA-N 2 2 324.468 3.350 20 0 DGADLP Cc1[nH+]cc(CN2CCC[N@@H+](C(C)C)CC2)n1-c1ccccc1 ZINC000271033199 432318511 /nfs/dbraw/zinc/31/85/11/432318511.db2.gz ZMYMMWUVDPWDFF-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1[nH+]cc(CN2CCC[N@H+](C(C)C)CC2)n1-c1ccccc1 ZINC000271033199 432318513 /nfs/dbraw/zinc/31/85/13/432318513.db2.gz ZMYMMWUVDPWDFF-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248824583 432320290 /nfs/dbraw/zinc/32/02/90/432320290.db2.gz GPYUUPNHLVFQMQ-PKOBYXMFSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248824583 432320293 /nfs/dbraw/zinc/32/02/93/432320293.db2.gz GPYUUPNHLVFQMQ-PKOBYXMFSA-N 2 2 311.429 3.182 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183770831 432323405 /nfs/dbraw/zinc/32/34/05/432323405.db2.gz VEZMJHUVEQYJRU-QGZVFWFLSA-N 2 2 314.408 3.197 20 0 DGADLP CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034156 432325894 /nfs/dbraw/zinc/32/58/94/432325894.db2.gz PUIJNFLCCJIZFZ-RTBURBONSA-N 2 2 313.445 3.306 20 0 DGADLP CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034156 432325897 /nfs/dbraw/zinc/32/58/97/432325897.db2.gz PUIJNFLCCJIZFZ-RTBURBONSA-N 2 2 313.445 3.306 20 0 DGADLP CC(C)COC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000152632464 432345738 /nfs/dbraw/zinc/34/57/38/432345738.db2.gz CDOVGIBYEREARN-KRWDZBQOSA-N 2 2 308.466 3.456 20 0 DGADLP CCn1nccc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271189666 432347666 /nfs/dbraw/zinc/34/76/66/432347666.db2.gz OWCGBQBPYNHCLN-INIZCTEOSA-N 2 2 323.444 3.226 20 0 DGADLP CCn1nccc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271189666 432347669 /nfs/dbraw/zinc/34/76/69/432347669.db2.gz OWCGBQBPYNHCLN-INIZCTEOSA-N 2 2 323.444 3.226 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249433005 432348371 /nfs/dbraw/zinc/34/83/71/432348371.db2.gz KGFGUYXBQZFCBD-MZMPZRCHSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249433005 432348375 /nfs/dbraw/zinc/34/83/75/432348375.db2.gz KGFGUYXBQZFCBD-MZMPZRCHSA-N 2 2 315.461 3.134 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)[nH]1 ZINC000271193105 432351621 /nfs/dbraw/zinc/35/16/21/432351621.db2.gz NABRVEKLJOGQFY-UHFFFAOYSA-N 2 2 307.401 3.179 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC3(CCOCC3)CC1)CCC2 ZINC000344539511 281550384 /nfs/dbraw/zinc/55/03/84/281550384.db2.gz MQODJGXNGNEWQN-INIZCTEOSA-N 2 2 317.477 3.398 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248720349 432314476 /nfs/dbraw/zinc/31/44/76/432314476.db2.gz CGLBTVPEFQKVOR-QAPCUYQASA-N 2 2 324.428 3.032 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248720349 432314481 /nfs/dbraw/zinc/31/44/81/432314481.db2.gz CGLBTVPEFQKVOR-QAPCUYQASA-N 2 2 324.428 3.032 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)c1nc2ccccc2n1C)[NH+]1CCCCC1 ZINC000184513428 432399635 /nfs/dbraw/zinc/39/96/35/432399635.db2.gz IFEMNOQQQQIDAR-CVEARBPZSA-N 2 2 314.477 3.488 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2ccc(Cl)cn12 ZINC000271250948 432363536 /nfs/dbraw/zinc/36/35/36/432363536.db2.gz IKXBXEIGXORQDT-CABCVRRESA-N 2 2 318.852 3.046 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2ccc(Cl)cn12 ZINC000271250948 432363538 /nfs/dbraw/zinc/36/35/38/432363538.db2.gz IKXBXEIGXORQDT-CABCVRRESA-N 2 2 318.852 3.046 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000271296775 432369533 /nfs/dbraw/zinc/36/95/33/432369533.db2.gz NWADSGSOONZHTA-XOKHGSTOSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000271296775 432369537 /nfs/dbraw/zinc/36/95/37/432369537.db2.gz NWADSGSOONZHTA-XOKHGSTOSA-N 2 2 319.836 3.153 20 0 DGADLP O[C@H](C[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271890937 432428257 /nfs/dbraw/zinc/42/82/57/432428257.db2.gz DSKDWNBGNGXPNI-IAGOWNOFSA-N 2 2 317.433 3.235 20 0 DGADLP O[C@H](C[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271890937 432428261 /nfs/dbraw/zinc/42/82/61/432428261.db2.gz DSKDWNBGNGXPNI-IAGOWNOFSA-N 2 2 317.433 3.235 20 0 DGADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)ccc1Cl ZINC000184768194 432431013 /nfs/dbraw/zinc/43/10/13/432431013.db2.gz SLTKSNBAYAWSDY-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559247 432431640 /nfs/dbraw/zinc/43/16/40/432431640.db2.gz SYPXBYLQGSABII-UIFIKXQLSA-N 3 2 321.468 3.243 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559247 432431645 /nfs/dbraw/zinc/43/16/45/432431645.db2.gz SYPXBYLQGSABII-UIFIKXQLSA-N 3 2 321.468 3.243 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261590731 432432472 /nfs/dbraw/zinc/43/24/72/432432472.db2.gz XEUHGZMDHVEFFZ-XUJVJEKNSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261590731 432432476 /nfs/dbraw/zinc/43/24/76/432432476.db2.gz XEUHGZMDHVEFFZ-XUJVJEKNSA-N 2 2 309.251 3.194 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261594336 432432881 /nfs/dbraw/zinc/43/28/81/432432881.db2.gz NMCRSAOEAXPXND-IIAWOOMASA-N 2 2 323.278 3.442 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261594336 432432885 /nfs/dbraw/zinc/43/28/85/432432885.db2.gz NMCRSAOEAXPXND-IIAWOOMASA-N 2 2 323.278 3.442 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]12 ZINC000261601801 432433807 /nfs/dbraw/zinc/43/38/07/432433807.db2.gz BTXZTKUVWQTRIB-UHIISALHSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]12 ZINC000261601801 432433812 /nfs/dbraw/zinc/43/38/12/432433812.db2.gz BTXZTKUVWQTRIB-UHIISALHSA-N 2 2 302.315 3.014 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000153746548 432439846 /nfs/dbraw/zinc/43/98/46/432439846.db2.gz WQTDFPJGOZNHTK-LBPRGKRZSA-N 2 2 302.821 3.098 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000153746548 432439848 /nfs/dbraw/zinc/43/98/48/432439848.db2.gz WQTDFPJGOZNHTK-LBPRGKRZSA-N 2 2 302.821 3.098 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000261672198 432440813 /nfs/dbraw/zinc/44/08/13/432440813.db2.gz LOKKFSRKEOJDAY-CQSZACIVSA-N 2 2 302.315 3.030 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000261672198 432440818 /nfs/dbraw/zinc/44/08/18/432440818.db2.gz LOKKFSRKEOJDAY-CQSZACIVSA-N 2 2 302.315 3.030 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000261686129 432441397 /nfs/dbraw/zinc/44/13/97/432441397.db2.gz AQSQPGBBKUXPLC-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000261686129 432441399 /nfs/dbraw/zinc/44/13/99/432441399.db2.gz AQSQPGBBKUXPLC-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261717809 432444526 /nfs/dbraw/zinc/44/45/26/432444526.db2.gz PWMBRXWKNOMNQO-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261717809 432444529 /nfs/dbraw/zinc/44/45/29/432444529.db2.gz PWMBRXWKNOMNQO-MRXNPFEDSA-N 2 2 305.809 3.166 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121758094 281667970 /nfs/dbraw/zinc/66/79/70/281667970.db2.gz OWYLIEWCVFCASI-SFHVURJKSA-N 2 2 324.428 3.349 20 0 DGADLP c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261771794 432448950 /nfs/dbraw/zinc/44/89/50/432448950.db2.gz QWRVBUNBTSLOOQ-OKZBNKHCSA-N 2 2 314.477 3.405 20 0 DGADLP c1cc(N2CCCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261771790 432449167 /nfs/dbraw/zinc/44/91/67/432449167.db2.gz QWRVBUNBTSLOOQ-KZNAEPCWSA-N 2 2 314.477 3.405 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154098033 432471703 /nfs/dbraw/zinc/47/17/03/432471703.db2.gz QKDYRTIACQYBLI-QXAKKESOSA-N 2 2 304.478 3.038 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154098033 432471706 /nfs/dbraw/zinc/47/17/06/432471706.db2.gz QKDYRTIACQYBLI-QXAKKESOSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CC3 ZINC000272277478 432474821 /nfs/dbraw/zinc/47/48/21/432474821.db2.gz MGFLPWYBNUACLD-HUUCEWRRSA-N 2 2 308.429 3.208 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CC3 ZINC000272277472 432475148 /nfs/dbraw/zinc/47/51/48/432475148.db2.gz MGFLPWYBNUACLD-CABCVRRESA-N 2 2 308.429 3.208 20 0 DGADLP COc1cccc2c(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc[nH+]c12 ZINC000193488331 432475341 /nfs/dbraw/zinc/47/53/41/432475341.db2.gz XXQANSQQFSCPCR-ZBFHGGJFSA-N 2 2 311.429 3.164 20 0 DGADLP COc1cccc2c(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc[nH+]c12 ZINC000193488331 432475345 /nfs/dbraw/zinc/47/53/45/432475345.db2.gz XXQANSQQFSCPCR-ZBFHGGJFSA-N 2 2 311.429 3.164 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCCO[C@@H]3CC(C)C)c[nH+]c12 ZINC000185199356 432476748 /nfs/dbraw/zinc/47/67/48/432476748.db2.gz QJBCZEALLRRMQB-DLBZAZTESA-N 2 2 301.434 3.326 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000262456583 432486622 /nfs/dbraw/zinc/48/66/22/432486622.db2.gz IEEIBFDHBZHSSP-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH3+] ZINC000262456583 432486626 /nfs/dbraw/zinc/48/66/26/432486626.db2.gz IEEIBFDHBZHSSP-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nc2ccccc12 ZINC000262471601 432487905 /nfs/dbraw/zinc/48/79/05/432487905.db2.gz JHHGWMXDFGPPEV-ZFWWWQNUSA-N 2 2 315.848 3.380 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nc2ccccc12 ZINC000262471601 432487908 /nfs/dbraw/zinc/48/79/08/432487908.db2.gz JHHGWMXDFGPPEV-ZFWWWQNUSA-N 2 2 315.848 3.380 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315491 432488438 /nfs/dbraw/zinc/48/84/38/432488438.db2.gz XLGXKHASMONYAY-FCEWJHQRSA-N 2 2 312.461 3.074 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315491 432488445 /nfs/dbraw/zinc/48/84/45/432488445.db2.gz XLGXKHASMONYAY-FCEWJHQRSA-N 2 2 312.461 3.074 20 0 DGADLP Cc1cnc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000272409582 432496542 /nfs/dbraw/zinc/49/65/42/432496542.db2.gz FNFQRYNHALVZOI-WBVHZDCISA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000272409582 432496545 /nfs/dbraw/zinc/49/65/45/432496545.db2.gz FNFQRYNHALVZOI-WBVHZDCISA-N 2 2 315.486 3.452 20 0 DGADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cc(O)cc(F)c2)ccc1F ZINC000185538029 432509060 /nfs/dbraw/zinc/50/90/60/432509060.db2.gz HUFOWLUVLOVCJG-UHFFFAOYSA-N 2 2 306.356 3.022 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000185564012 432509877 /nfs/dbraw/zinc/50/98/77/432509877.db2.gz UFWPIGRATUSCMS-UHFFFAOYSA-N 2 2 306.425 3.418 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000193946039 432511873 /nfs/dbraw/zinc/51/18/73/432511873.db2.gz HNHITMCAKAJFAE-NCXUSEDFSA-N 2 2 314.473 3.227 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000272200359 432460927 /nfs/dbraw/zinc/46/09/27/432460927.db2.gz IXBDGECLKOKNLX-HKUYNNGSSA-N 2 2 322.456 3.321 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261991291 432467429 /nfs/dbraw/zinc/46/74/29/432467429.db2.gz SJWCMCUPQBPNKE-CQSZACIVSA-N 2 2 308.853 3.170 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261991291 432467433 /nfs/dbraw/zinc/46/74/33/432467433.db2.gz SJWCMCUPQBPNKE-CQSZACIVSA-N 2 2 308.853 3.170 20 0 DGADLP COc1cccc2c1CC[N@H+](Cc1c[nH+]c3c(C)cccn13)CC2 ZINC000194571487 432561269 /nfs/dbraw/zinc/56/12/69/432561269.db2.gz MIPDHAMTLGZXFI-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1cccc2c1CC[N@@H+](Cc1c[nH+]c3c(C)cccn13)CC2 ZINC000194571487 432561274 /nfs/dbraw/zinc/56/12/74/432561274.db2.gz MIPDHAMTLGZXFI-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP Clc1ccc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000273178397 432561783 /nfs/dbraw/zinc/56/17/83/432561783.db2.gz IDOHZBVFWVOPGU-UHFFFAOYSA-N 2 2 311.216 3.491 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000273193780 432562351 /nfs/dbraw/zinc/56/23/51/432562351.db2.gz IPRAJHMFFLHIJZ-GFCCVEGCSA-N 2 2 300.406 3.182 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000273193781 432563380 /nfs/dbraw/zinc/56/33/80/432563380.db2.gz IPRAJHMFFLHIJZ-LBPRGKRZSA-N 2 2 300.406 3.182 20 0 DGADLP C[C@H](C[NH2+]Cc1nc(-c2ccccc2)c[nH]1)C[NH+]1CCCCC1 ZINC000194243888 432535554 /nfs/dbraw/zinc/53/55/54/432535554.db2.gz BGPDDMIEPFUYCL-MRXNPFEDSA-N 2 2 312.461 3.288 20 0 DGADLP C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000273030186 432540536 /nfs/dbraw/zinc/54/05/36/432540536.db2.gz UINACDYTZZQSMK-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000273030186 432540540 /nfs/dbraw/zinc/54/05/40/432540540.db2.gz UINACDYTZZQSMK-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2cccc(Br)c21 ZINC000155718567 432569532 /nfs/dbraw/zinc/56/95/32/432569532.db2.gz FTZSGJDFOZCHGC-BXUZGUMPSA-N 2 2 320.234 3.484 20 0 DGADLP Cc1ccc([C@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCC2)o1 ZINC000263782689 432576241 /nfs/dbraw/zinc/57/62/41/432576241.db2.gz LWGLBTVEWQFAAT-AWEZNQCLSA-N 2 2 311.389 3.108 20 0 DGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1SC ZINC000194881007 432584670 /nfs/dbraw/zinc/58/46/70/432584670.db2.gz LIQXRJIENPHKIW-CABCVRRESA-N 2 2 308.491 3.170 20 0 DGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1SC ZINC000194881007 432584673 /nfs/dbraw/zinc/58/46/73/432584673.db2.gz LIQXRJIENPHKIW-CABCVRRESA-N 2 2 308.491 3.170 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000156185739 432591172 /nfs/dbraw/zinc/59/11/72/432591172.db2.gz HXTSHHNBHFJLRB-WOJBJXKFSA-N 2 2 312.457 3.137 20 0 DGADLP FC(F)(F)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CC1 ZINC000177167351 432593210 /nfs/dbraw/zinc/59/32/10/432593210.db2.gz JYDCKPPBRKXMAT-UHFFFAOYSA-N 2 2 324.350 3.432 20 0 DGADLP FC(F)(F)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CC1 ZINC000177167351 432593214 /nfs/dbraw/zinc/59/32/14/432593214.db2.gz JYDCKPPBRKXMAT-UHFFFAOYSA-N 2 2 324.350 3.432 20 0 DGADLP Cc1csc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000177190281 432596368 /nfs/dbraw/zinc/59/63/68/432596368.db2.gz CYNLKNYAXHZDTC-UHFFFAOYSA-N 2 2 313.430 3.057 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000273432993 432599398 /nfs/dbraw/zinc/59/93/98/432599398.db2.gz XVKXKYCOXCEMGR-CYBMUJFWSA-N 2 2 317.437 3.363 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3ccc(C)cn13)CCO2 ZINC000274257185 432644747 /nfs/dbraw/zinc/64/47/47/432644747.db2.gz LXGJUIVQIDQJOZ-KRWDZBQOSA-N 2 2 323.396 3.265 20 0 DGADLP C[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000187369517 432661011 /nfs/dbraw/zinc/66/10/11/432661011.db2.gz YZKCQGJDQXNDNT-JKSUJKDBSA-N 2 2 322.880 3.098 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000187369517 432661016 /nfs/dbraw/zinc/66/10/16/432661016.db2.gz YZKCQGJDQXNDNT-JKSUJKDBSA-N 2 2 322.880 3.098 20 0 DGADLP c1cc2c(nc[nH+]c2N[C@H](C[NH+]2CCCC2)c2ccccc2)[nH]1 ZINC000264921764 432665797 /nfs/dbraw/zinc/66/57/97/432665797.db2.gz MUQXVFQYWCQROF-MRXNPFEDSA-N 2 2 307.401 3.207 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274422123 432665774 /nfs/dbraw/zinc/66/57/74/432665774.db2.gz LQYPVKOKSNGBFX-UHFFFAOYSA-N 2 2 312.413 3.367 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112025 432696068 /nfs/dbraw/zinc/69/60/68/432696068.db2.gz ZGIQCOKLGJOKBP-HIFRSBDPSA-N 2 2 301.459 3.212 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112025 432696070 /nfs/dbraw/zinc/69/60/70/432696070.db2.gz ZGIQCOKLGJOKBP-HIFRSBDPSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112025 432696071 /nfs/dbraw/zinc/69/60/71/432696071.db2.gz ZGIQCOKLGJOKBP-HIFRSBDPSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4ccccc4s3)CC[C@@H]21 ZINC000178112025 432696074 /nfs/dbraw/zinc/69/60/74/432696074.db2.gz ZGIQCOKLGJOKBP-HIFRSBDPSA-N 2 2 301.459 3.212 20 0 DGADLP C[C@@H](C[NH2+]C[C@@H](C)c1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000188016480 432698877 /nfs/dbraw/zinc/69/88/77/432698877.db2.gz HAIORKRFLNSAIX-LSDHHAIUSA-N 2 2 310.869 3.001 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000227073744 432709822 /nfs/dbraw/zinc/70/98/22/432709822.db2.gz OYPGLCSFJZCDAL-XJKSGUPXSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000227073744 432709825 /nfs/dbraw/zinc/70/98/25/432709825.db2.gz OYPGLCSFJZCDAL-XJKSGUPXSA-N 2 2 301.459 3.288 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000178312190 432718206 /nfs/dbraw/zinc/71/82/06/432718206.db2.gz PLLYBNKEQSIKKZ-OAHLLOKOSA-N 2 2 314.351 3.258 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159221466 432675536 /nfs/dbraw/zinc/67/55/36/432675536.db2.gz GSRKUNZAMVCKPF-AYOQOUSVSA-N 2 2 313.445 3.464 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000159257658 432677075 /nfs/dbraw/zinc/67/70/75/432677075.db2.gz YSSNKUUCYUYGEH-MRXNPFEDSA-N 2 2 312.417 3.041 20 0 DGADLP CC[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187754795 432683776 /nfs/dbraw/zinc/68/37/76/432683776.db2.gz LTZFEMFEGLDKKR-SJORKVTESA-N 2 2 316.424 3.102 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000178525095 432748340 /nfs/dbraw/zinc/74/83/40/432748340.db2.gz UHUQBQZDLYSLHG-DLBZAZTESA-N 2 2 320.477 3.094 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000178525110 432749204 /nfs/dbraw/zinc/74/92/04/432749204.db2.gz UHUQBQZDLYSLHG-IRXDYDNUSA-N 2 2 320.477 3.094 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1cccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000236699952 432757610 /nfs/dbraw/zinc/75/76/10/432757610.db2.gz HLVPLRHINJXAQQ-HXUWFJFHSA-N 2 2 311.473 3.198 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1cccn1C)[N@H+]1CCc2ccccc2C1 ZINC000236699952 432757612 /nfs/dbraw/zinc/75/76/12/432757612.db2.gz HLVPLRHINJXAQQ-HXUWFJFHSA-N 2 2 311.473 3.198 20 0 DGADLP CCc1ccc([C@H](COC)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000423003022 288563184 /nfs/dbraw/zinc/56/31/84/288563184.db2.gz GSCSKZHOEQVOGW-UXLLHSPISA-N 2 2 308.466 3.430 20 0 DGADLP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266610617 432771641 /nfs/dbraw/zinc/77/16/41/432771641.db2.gz ZTMHGFHDBJEXQI-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1noc(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266610617 432771643 /nfs/dbraw/zinc/77/16/43/432771643.db2.gz ZTMHGFHDBJEXQI-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266610617 432771646 /nfs/dbraw/zinc/77/16/46/432771646.db2.gz ZTMHGFHDBJEXQI-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266610617 432771650 /nfs/dbraw/zinc/77/16/50/432771650.db2.gz ZTMHGFHDBJEXQI-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP C[N@H+](Cc1sccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000231456785 432733113 /nfs/dbraw/zinc/73/31/13/432733113.db2.gz LVPLGZCKWKCWON-SNVBAGLBSA-N 2 2 303.269 3.085 20 0 DGADLP C[N@@H+](Cc1sccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000231456785 432733114 /nfs/dbraw/zinc/73/31/14/432733114.db2.gz LVPLGZCKWKCWON-SNVBAGLBSA-N 2 2 303.269 3.085 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000235489891 432744320 /nfs/dbraw/zinc/74/43/20/432744320.db2.gz PIBYWHFIUIHRPG-CHWSQXEVSA-N 2 2 322.250 3.255 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)CC1 ZINC000277237648 432831793 /nfs/dbraw/zinc/83/17/93/432831793.db2.gz PFGORDIEUKDVRV-OAHLLOKOSA-N 2 2 311.267 3.365 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)CC1 ZINC000277237648 432831798 /nfs/dbraw/zinc/83/17/98/432831798.db2.gz PFGORDIEUKDVRV-OAHLLOKOSA-N 2 2 311.267 3.365 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3c[nH]c4ccccc34)n2c1 ZINC000178874961 432785645 /nfs/dbraw/zinc/78/56/45/432785645.db2.gz QSPLTNCZOZWAND-UHFFFAOYSA-N 2 2 304.397 3.456 20 0 DGADLP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276227220 432785721 /nfs/dbraw/zinc/78/57/21/432785721.db2.gz JWHMCBANHJAQNU-CYBMUJFWSA-N 2 2 324.350 3.430 20 0 DGADLP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276227220 432785723 /nfs/dbraw/zinc/78/57/23/432785723.db2.gz JWHMCBANHJAQNU-CYBMUJFWSA-N 2 2 324.350 3.430 20 0 DGADLP C[NH+](C)CCc1ccc(CNc2cc[nH+]c3ccncc23)cc1 ZINC000276333120 432797607 /nfs/dbraw/zinc/79/76/07/432797607.db2.gz QYPLBASUWYVFFH-UHFFFAOYSA-N 2 2 306.413 3.346 20 0 DGADLP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266917074 432798175 /nfs/dbraw/zinc/79/81/75/432798175.db2.gz KWRUBHIZDVUJHH-OAHLLOKOSA-N 2 2 315.417 3.067 20 0 DGADLP CCOc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266917074 432798179 /nfs/dbraw/zinc/79/81/79/432798179.db2.gz KWRUBHIZDVUJHH-OAHLLOKOSA-N 2 2 315.417 3.067 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000161813730 432799180 /nfs/dbraw/zinc/79/91/80/432799180.db2.gz NZGOPFZDBKAEKC-PBHICJAKSA-N 2 2 311.473 3.488 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000161813730 432799183 /nfs/dbraw/zinc/79/91/83/432799183.db2.gz NZGOPFZDBKAEKC-PBHICJAKSA-N 2 2 311.473 3.488 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000266944712 432800395 /nfs/dbraw/zinc/80/03/95/432800395.db2.gz SEGNIXIYOWYUMM-QWHCGFSZSA-N 2 2 303.410 3.076 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000266944712 432800397 /nfs/dbraw/zinc/80/03/97/432800397.db2.gz SEGNIXIYOWYUMM-QWHCGFSZSA-N 2 2 303.410 3.076 20 0 DGADLP [NH3+][C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccccc1 ZINC000237827019 432801426 /nfs/dbraw/zinc/80/14/26/432801426.db2.gz FQNYSABMFBECRK-KRWDZBQOSA-N 2 2 320.396 3.469 20 0 DGADLP Cn1c2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000237846553 432801540 /nfs/dbraw/zinc/80/15/40/432801540.db2.gz ZWDHTXHHUPHXIU-QGZVFWFLSA-N 2 2 320.396 3.089 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000161873096 432802206 /nfs/dbraw/zinc/80/22/06/432802206.db2.gz QVARUAVTIPTXRN-ZBFHGGJFSA-N 2 2 300.450 3.053 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000161873096 432802211 /nfs/dbraw/zinc/80/22/11/432802211.db2.gz QVARUAVTIPTXRN-ZBFHGGJFSA-N 2 2 300.450 3.053 20 0 DGADLP CC[N@H+](C[C@@H]1CCSC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000278409441 432894159 /nfs/dbraw/zinc/89/41/59/432894159.db2.gz GXOOQXCNUJGJOH-KRWDZBQOSA-N 2 2 319.518 3.373 20 0 DGADLP CC[N@@H+](C[C@@H]1CCSC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000278409441 432894162 /nfs/dbraw/zinc/89/41/62/432894162.db2.gz GXOOQXCNUJGJOH-KRWDZBQOSA-N 2 2 319.518 3.373 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000245545844 432841987 /nfs/dbraw/zinc/84/19/87/432841987.db2.gz CPXMLRVSJLDFGV-QXAKKESOSA-N 2 2 323.440 3.310 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277363136 432842160 /nfs/dbraw/zinc/84/21/60/432842160.db2.gz XFAIVIAODSOIMI-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277363136 432842164 /nfs/dbraw/zinc/84/21/64/432842164.db2.gz XFAIVIAODSOIMI-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@H]([NH+](C)C)CC2)n1-c1ccccc1 ZINC000277394801 432845588 /nfs/dbraw/zinc/84/55/88/432845588.db2.gz HGNUWDXZKYPRDO-KRWDZBQOSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1-c1ccccc1 ZINC000277394801 432845591 /nfs/dbraw/zinc/84/55/91/432845591.db2.gz HGNUWDXZKYPRDO-KRWDZBQOSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1-c1ccccc1 ZINC000277394801 432845594 /nfs/dbraw/zinc/84/55/94/432845594.db2.gz HGNUWDXZKYPRDO-KRWDZBQOSA-N 2 2 312.461 3.097 20 0 DGADLP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245575479 432845730 /nfs/dbraw/zinc/84/57/30/432845730.db2.gz ATULRLQOOSVMPE-GZBFAFLISA-N 2 2 320.462 3.130 20 0 DGADLP CO[C@H](C)c1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245575479 432845733 /nfs/dbraw/zinc/84/57/33/432845733.db2.gz ATULRLQOOSVMPE-GZBFAFLISA-N 2 2 320.462 3.130 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000245568937 432846098 /nfs/dbraw/zinc/84/60/98/432846098.db2.gz YHNSQWZLSIUCTI-PKOBYXMFSA-N 2 2 302.462 3.090 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000245568937 432846100 /nfs/dbraw/zinc/84/61/00/432846100.db2.gz YHNSQWZLSIUCTI-PKOBYXMFSA-N 2 2 302.462 3.090 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245593344 432847308 /nfs/dbraw/zinc/84/73/08/432847308.db2.gz GXDLVYSTPRTSFT-SWLSCSKDSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245593344 432847310 /nfs/dbraw/zinc/84/73/10/432847310.db2.gz GXDLVYSTPRTSFT-SWLSCSKDSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](c2ccccc2)O1 ZINC000268120480 432847366 /nfs/dbraw/zinc/84/73/66/432847366.db2.gz NOPKZMOQUTWNCZ-BHIYHBOVSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](c2ccccc2)O1 ZINC000268120480 432847368 /nfs/dbraw/zinc/84/73/68/432847368.db2.gz NOPKZMOQUTWNCZ-BHIYHBOVSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H](c2ccccc2)O1 ZINC000268120480 432847369 /nfs/dbraw/zinc/84/73/69/432847369.db2.gz NOPKZMOQUTWNCZ-BHIYHBOVSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H](c2ccccc2)O1 ZINC000268120480 432847372 /nfs/dbraw/zinc/84/73/72/432847372.db2.gz NOPKZMOQUTWNCZ-BHIYHBOVSA-N 2 2 302.462 3.323 20 0 DGADLP Cc1[nH+]cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1-c1ccccc1 ZINC000289186216 432930753 /nfs/dbraw/zinc/93/07/53/432930753.db2.gz ANYURTLWVBGRIY-QFBILLFUSA-N 2 2 324.472 3.239 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000289265356 432939193 /nfs/dbraw/zinc/93/91/93/432939193.db2.gz MZJPUNRVYJJPIA-KRWDZBQOSA-N 2 2 303.475 3.277 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321427 432945130 /nfs/dbraw/zinc/94/51/30/432945130.db2.gz GGWDWTGKJTXFGE-ZWNOBZJWSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000289321427 432945132 /nfs/dbraw/zinc/94/51/32/432945132.db2.gz GGWDWTGKJTXFGE-ZWNOBZJWSA-N 2 2 317.260 3.099 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000278789482 432900407 /nfs/dbraw/zinc/90/04/07/432900407.db2.gz OAOVYZDMUVIRBB-AWEZNQCLSA-N 2 2 301.356 3.017 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000278789482 432900409 /nfs/dbraw/zinc/90/04/09/432900409.db2.gz OAOVYZDMUVIRBB-AWEZNQCLSA-N 2 2 301.356 3.017 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000278829020 432905995 /nfs/dbraw/zinc/90/59/95/432905995.db2.gz TXIWOUWDTMBTCA-CYBMUJFWSA-N 2 2 320.433 3.124 20 0 DGADLP Cc1cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000278847099 432907834 /nfs/dbraw/zinc/90/78/34/432907834.db2.gz JUUHWPAWISXZEK-UHFFFAOYSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1cc[nH+]cc1CCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000289052354 432916757 /nfs/dbraw/zinc/91/67/57/432916757.db2.gz IMFUXAYEFOJIEQ-UHFFFAOYSA-N 2 2 303.494 3.376 20 0 DGADLP Cc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)oc1C ZINC000278933329 432918598 /nfs/dbraw/zinc/91/85/98/432918598.db2.gz SYMFYEZBVKGNEX-UHFFFAOYSA-N 2 2 314.433 3.204 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000349496660 432968782 /nfs/dbraw/zinc/96/87/82/432968782.db2.gz LFWMTWBRTQMZKQ-KSSFIOAISA-N 2 2 322.880 3.418 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349599867 432979964 /nfs/dbraw/zinc/97/99/64/432979964.db2.gz PIVKTPUYRRRREH-LBPRGKRZSA-N 2 2 301.887 3.254 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349599867 432979968 /nfs/dbraw/zinc/97/99/68/432979968.db2.gz PIVKTPUYRRRREH-LBPRGKRZSA-N 2 2 301.887 3.254 20 0 DGADLP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc12 ZINC000349630545 432984589 /nfs/dbraw/zinc/98/45/89/432984589.db2.gz MNQOUTJOZXBPBK-KDOFPFPSSA-N 2 2 323.444 3.047 20 0 DGADLP COc1cccc(O[C@H](C)C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289373819 432951308 /nfs/dbraw/zinc/95/13/08/432951308.db2.gz AQZBMVVMIXRFTA-MRXNPFEDSA-N 2 2 314.429 3.388 20 0 DGADLP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1OC(C)C ZINC000349420733 432958264 /nfs/dbraw/zinc/95/82/64/432958264.db2.gz RFNAOSHXMRZDKE-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1OC(C)C ZINC000349420733 432958270 /nfs/dbraw/zinc/95/82/70/432958270.db2.gz RFNAOSHXMRZDKE-UHFFFAOYSA-N 2 2 317.433 3.201 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000289440678 432959308 /nfs/dbraw/zinc/95/93/08/432959308.db2.gz TVBUSQQRJBSLAV-QGZVFWFLSA-N 3 2 317.477 3.108 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000289440678 432959310 /nfs/dbraw/zinc/95/93/10/432959310.db2.gz TVBUSQQRJBSLAV-QGZVFWFLSA-N 3 2 317.477 3.108 20 0 DGADLP Cc1cnccc1OC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000289440678 432959313 /nfs/dbraw/zinc/95/93/13/432959313.db2.gz TVBUSQQRJBSLAV-QGZVFWFLSA-N 2 2 317.477 3.108 20 0 DGADLP Cc1cnccc1OC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000289440678 432959316 /nfs/dbraw/zinc/95/93/16/432959316.db2.gz TVBUSQQRJBSLAV-QGZVFWFLSA-N 2 2 317.477 3.108 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000349816586 433015842 /nfs/dbraw/zinc/01/58/42/433015842.db2.gz NSTGHOLKDVSPKJ-UHFFFAOYSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000349816586 433015846 /nfs/dbraw/zinc/01/58/46/433015846.db2.gz NSTGHOLKDVSPKJ-UHFFFAOYSA-N 2 2 324.538 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@@H+]1Cc1ccccc1 ZINC000280276145 433026919 /nfs/dbraw/zinc/02/69/19/433026919.db2.gz YFEMLCYQLJGKKU-SZVBFZGTSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C[N@H+]1Cc1ccccc1 ZINC000280276145 433026925 /nfs/dbraw/zinc/02/69/25/433026925.db2.gz YFEMLCYQLJGKKU-SZVBFZGTSA-N 2 2 324.472 3.050 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000341342697 433034386 /nfs/dbraw/zinc/03/43/86/433034386.db2.gz MGJYTLKJVBEKLT-JSGCOSHPSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000341342697 433034389 /nfs/dbraw/zinc/03/43/89/433034389.db2.gz MGJYTLKJVBEKLT-JSGCOSHPSA-N 2 2 308.853 3.454 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399855 433046004 /nfs/dbraw/zinc/04/60/04/433046004.db2.gz KIBYPCVVLPXISE-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399855 433046010 /nfs/dbraw/zinc/04/60/10/433046010.db2.gz KIBYPCVVLPXISE-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399855 433046016 /nfs/dbraw/zinc/04/60/16/433046016.db2.gz KIBYPCVVLPXISE-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399855 433046021 /nfs/dbraw/zinc/04/60/21/433046021.db2.gz KIBYPCVVLPXISE-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000290424996 433050531 /nfs/dbraw/zinc/05/05/31/433050531.db2.gz KXQABWWWWPGBSO-IXDOHACOSA-N 2 2 324.390 3.331 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000280481062 433057210 /nfs/dbraw/zinc/05/72/10/433057210.db2.gz DPUUBPIPDAOCCA-KRWDZBQOSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000280481062 433057218 /nfs/dbraw/zinc/05/72/18/433057218.db2.gz DPUUBPIPDAOCCA-KRWDZBQOSA-N 2 2 312.461 3.097 20 0 DGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000305862129 289189765 /nfs/dbraw/zinc/18/97/65/289189765.db2.gz YKYIXBCTKNQIKZ-WMLDXEAASA-N 2 2 304.434 3.032 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)n1C ZINC000419703070 433066377 /nfs/dbraw/zinc/06/63/77/433066377.db2.gz CGPDRLTYSMAVRI-GOEBONIOSA-N 2 2 316.424 3.051 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)n1C ZINC000419703072 433066969 /nfs/dbraw/zinc/06/69/69/433066969.db2.gz CGPDRLTYSMAVRI-ZBFHGGJFSA-N 2 2 316.424 3.051 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)n1C ZINC000419714887 433068550 /nfs/dbraw/zinc/06/85/50/433068550.db2.gz UUWRYTAQOVTSNS-AEFFLSMTSA-N 2 2 312.461 3.160 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000290544661 433088400 /nfs/dbraw/zinc/08/84/00/433088400.db2.gz YUZTYAIGRVVSEO-PXNSSMCTSA-N 2 2 312.457 3.467 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000373096370 433091750 /nfs/dbraw/zinc/09/17/50/433091750.db2.gz CQTYQTMSYQXGGG-CQSZACIVSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000373096370 433091757 /nfs/dbraw/zinc/09/17/57/433091757.db2.gz CQTYQTMSYQXGGG-CQSZACIVSA-N 2 2 305.372 3.120 20 0 DGADLP CC(C)CCC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000361349942 433121951 /nfs/dbraw/zinc/12/19/51/433121951.db2.gz AFJWDEXXWPBLJA-UXHICEINSA-N 2 2 317.521 3.389 20 0 DGADLP CC(C)CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000361349942 433121955 /nfs/dbraw/zinc/12/19/55/433121955.db2.gz AFJWDEXXWPBLJA-UXHICEINSA-N 2 2 317.521 3.389 20 0 DGADLP CCCOc1cccc2c(N3CC[C@@]4(CC[NH2+]C4)C3)cc[nH+]c12 ZINC000420224736 433126427 /nfs/dbraw/zinc/12/64/27/433126427.db2.gz BNLKLDFCTAKRPL-LJQANCHMSA-N 2 2 311.429 3.213 20 0 DGADLP CCCOc1cccc2c(N3CC[C@]4(CC[NH2+]C4)C3)cc[nH+]c12 ZINC000420224735 433127521 /nfs/dbraw/zinc/12/75/21/433127521.db2.gz BNLKLDFCTAKRPL-IBGZPJMESA-N 2 2 311.429 3.213 20 0 DGADLP COCc1cc(NCC[N@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000290651312 433129005 /nfs/dbraw/zinc/12/90/05/433129005.db2.gz OVIRSIZMVBVBSS-UHFFFAOYSA-N 2 2 303.381 3.026 20 0 DGADLP COCc1cc(NCC[N@@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000290651312 433129020 /nfs/dbraw/zinc/12/90/20/433129020.db2.gz OVIRSIZMVBVBSS-UHFFFAOYSA-N 2 2 303.381 3.026 20 0 DGADLP CCCOc1cccc2c(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc[nH+]c12 ZINC000420260856 433137315 /nfs/dbraw/zinc/13/73/15/433137315.db2.gz OLGZIKJDDYMEEO-HUUCEWRRSA-N 2 2 311.429 3.069 20 0 DGADLP CC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@H](C)O ZINC000361393461 433144815 /nfs/dbraw/zinc/14/48/15/433144815.db2.gz XBWHAYDHSATFDT-HNNXBMFYSA-N 2 2 303.450 3.218 20 0 DGADLP CC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)C[C@H](C)O ZINC000361393461 433144827 /nfs/dbraw/zinc/14/48/27/433144827.db2.gz XBWHAYDHSATFDT-HNNXBMFYSA-N 2 2 303.450 3.218 20 0 DGADLP Cc1cccc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)[nH+]1 ZINC000290695864 433145901 /nfs/dbraw/zinc/14/59/01/433145901.db2.gz VGGMBSBTDHITPL-INIZCTEOSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1cccc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)[nH+]1 ZINC000290695864 433145905 /nfs/dbraw/zinc/14/59/05/433145905.db2.gz VGGMBSBTDHITPL-INIZCTEOSA-N 2 2 311.429 3.223 20 0 DGADLP C[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000420301760 433154676 /nfs/dbraw/zinc/15/46/76/433154676.db2.gz AWQGNWZWAWRVFW-INIZCTEOSA-N 2 2 318.852 3.100 20 0 DGADLP C[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000420301760 433154684 /nfs/dbraw/zinc/15/46/84/433154684.db2.gz AWQGNWZWAWRVFW-INIZCTEOSA-N 2 2 318.852 3.100 20 0 DGADLP C[C@@H]1C[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@H]1[NH3+] ZINC000420290958 433148872 /nfs/dbraw/zinc/14/88/72/433148872.db2.gz MSTWMMTXGOGLJC-ZWNOBZJWSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@H]1[NH3+] ZINC000420290958 433148879 /nfs/dbraw/zinc/14/88/79/433148879.db2.gz MSTWMMTXGOGLJC-ZWNOBZJWSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295072 433150176 /nfs/dbraw/zinc/15/01/76/433150176.db2.gz URTYYOZCHMDDEH-KBPBESRZSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000420295072 433150187 /nfs/dbraw/zinc/15/01/87/433150187.db2.gz URTYYOZCHMDDEH-KBPBESRZSA-N 2 2 318.852 3.085 20 0 DGADLP C[N@H+](CCCC[NH2+][C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000453394567 433150691 /nfs/dbraw/zinc/15/06/91/433150691.db2.gz GZSYLDRNXAUQLX-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP C[N@@H+](CCCC[NH2+][C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000453394567 433150701 /nfs/dbraw/zinc/15/07/01/433150701.db2.gz GZSYLDRNXAUQLX-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP C[NH+](CCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000453394567 433150728 /nfs/dbraw/zinc/15/07/28/433150728.db2.gz GZSYLDRNXAUQLX-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP C[NH+](CCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000453394567 433150737 /nfs/dbraw/zinc/15/07/37/433150737.db2.gz GZSYLDRNXAUQLX-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCC1 ZINC000341509112 433102090 /nfs/dbraw/zinc/10/20/90/433102090.db2.gz GKPVULULCDPOBP-GOSISDBHSA-N 2 2 313.445 3.151 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446757782 433103186 /nfs/dbraw/zinc/10/31/86/433103186.db2.gz WFHAFCCFUOHLLO-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000446757782 433103195 /nfs/dbraw/zinc/10/31/95/433103195.db2.gz WFHAFCCFUOHLLO-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000341512514 433103312 /nfs/dbraw/zinc/10/33/12/433103312.db2.gz SRWGPLPMEMPZDS-MRXNPFEDSA-N 2 2 322.456 3.373 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000341512514 433103319 /nfs/dbraw/zinc/10/33/19/433103319.db2.gz SRWGPLPMEMPZDS-MRXNPFEDSA-N 2 2 322.456 3.373 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000341512508 433104273 /nfs/dbraw/zinc/10/42/73/433104273.db2.gz SRWGPLPMEMPZDS-INIZCTEOSA-N 2 2 322.456 3.373 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000341512508 433104283 /nfs/dbraw/zinc/10/42/83/433104283.db2.gz SRWGPLPMEMPZDS-INIZCTEOSA-N 2 2 322.456 3.373 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000446825634 433110583 /nfs/dbraw/zinc/11/05/83/433110583.db2.gz KFOZBRQGDQKQPZ-QFBILLFUSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000446825634 433110588 /nfs/dbraw/zinc/11/05/88/433110588.db2.gz KFOZBRQGDQKQPZ-QFBILLFUSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361495396 433208628 /nfs/dbraw/zinc/20/86/28/433208628.db2.gz DPBGMISOYXFPGZ-HLIPFELVSA-N 3 2 315.505 3.142 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1c(F)ccc(Br)c1F ZINC000420322161 433164025 /nfs/dbraw/zinc/16/40/25/433164025.db2.gz SCTAUKJDVQDZFH-CYBMUJFWSA-N 2 2 321.209 3.190 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)O1 ZINC000453408893 433164410 /nfs/dbraw/zinc/16/44/10/433164410.db2.gz NYBCBEQGDYJHET-PBHICJAKSA-N 2 2 322.880 3.462 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1c(F)ccc(Br)c1F ZINC000420322164 433165775 /nfs/dbraw/zinc/16/57/75/433165775.db2.gz SCTAUKJDVQDZFH-ZDUSSCGKSA-N 2 2 321.209 3.190 20 0 DGADLP Clc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000420342692 433171101 /nfs/dbraw/zinc/17/11/01/433171101.db2.gz XYJIGZZTHMULRM-AWEZNQCLSA-N 2 2 314.260 3.352 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCOC1 ZINC000336708187 433178809 /nfs/dbraw/zinc/17/88/09/433178809.db2.gz JPJFZDKAFIMEDW-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCOC1 ZINC000336708187 433178813 /nfs/dbraw/zinc/17/88/13/433178813.db2.gz JPJFZDKAFIMEDW-DSLXNQLJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000453430099 433180049 /nfs/dbraw/zinc/18/00/49/433180049.db2.gz QXYWJSNZFPAKLY-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000453430099 433180062 /nfs/dbraw/zinc/18/00/62/433180062.db2.gz QXYWJSNZFPAKLY-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420365767 433181978 /nfs/dbraw/zinc/18/19/78/433181978.db2.gz LNEQZZLKWQQFAK-TYNCELHUSA-N 2 2 316.367 3.104 20 0 DGADLP CCn1nc(C[N@H+](CCC[NH3+])Cc2ccccc2)c2ccccc21 ZINC000336725104 433183290 /nfs/dbraw/zinc/18/32/90/433183290.db2.gz NMNVBBKHTZGOAK-UHFFFAOYSA-N 2 2 322.456 3.407 20 0 DGADLP CCn1nc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c2ccccc21 ZINC000336725104 433183299 /nfs/dbraw/zinc/18/32/99/433183299.db2.gz NMNVBBKHTZGOAK-UHFFFAOYSA-N 2 2 322.456 3.407 20 0 DGADLP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346652 433184384 /nfs/dbraw/zinc/18/43/84/433184384.db2.gz WRNNJRJUSOVCSG-WBVHZDCISA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000425346652 433184397 /nfs/dbraw/zinc/18/43/97/433184397.db2.gz WRNNJRJUSOVCSG-WBVHZDCISA-N 2 2 312.461 3.173 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298575900 433184848 /nfs/dbraw/zinc/18/48/48/433184848.db2.gz XIIBKKLLHGAVMZ-SFHVURJKSA-N 2 2 300.446 3.289 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717713 433185229 /nfs/dbraw/zinc/18/52/29/433185229.db2.gz QMXPFZYSYRDRID-RCCFBDPRSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336717713 433185235 /nfs/dbraw/zinc/18/52/35/433185235.db2.gz QMXPFZYSYRDRID-RCCFBDPRSA-N 2 2 302.462 3.054 20 0 DGADLP c1csc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420383779 433192960 /nfs/dbraw/zinc/19/29/60/433192960.db2.gz DOUOZCBAVURVBO-DZGCQCFKSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420383779 433192972 /nfs/dbraw/zinc/19/29/72/433192972.db2.gz DOUOZCBAVURVBO-DZGCQCFKSA-N 2 2 317.458 3.367 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420398646 433197541 /nfs/dbraw/zinc/19/75/41/433197541.db2.gz NMSFUEUULXUNOD-KBPBESRZSA-N 2 2 307.507 3.405 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c[nH+]1 ZINC000354643058 433197464 /nfs/dbraw/zinc/19/74/64/433197464.db2.gz YKTLATSOCXJWLM-HXUWFJFHSA-N 2 2 308.425 3.454 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420398646 433197550 /nfs/dbraw/zinc/19/75/50/433197550.db2.gz NMSFUEUULXUNOD-KBPBESRZSA-N 2 2 307.507 3.405 20 0 DGADLP Cc1oncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374534289 433211982 /nfs/dbraw/zinc/21/19/82/433211982.db2.gz CYTNRMYHIDETIG-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1oncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374534289 433211994 /nfs/dbraw/zinc/21/19/94/433211994.db2.gz CYTNRMYHIDETIG-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP COC(=O)CC1CC([NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)C1 ZINC000425389133 433215794 /nfs/dbraw/zinc/21/57/94/433215794.db2.gz XEBIEEOQDYPMCG-UHFFFAOYSA-N 2 2 313.401 3.243 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379576 433216635 /nfs/dbraw/zinc/21/66/35/433216635.db2.gz KPXOSPFVFDHBBI-NVXWUHKLSA-N 2 2 312.461 3.254 20 0 DGADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379576 433216649 /nfs/dbraw/zinc/21/66/49/433216649.db2.gz KPXOSPFVFDHBBI-NVXWUHKLSA-N 2 2 312.461 3.254 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000425391514 433223799 /nfs/dbraw/zinc/22/37/99/433223799.db2.gz ZOPOUZNOBXHTBD-UHFFFAOYSA-N 2 2 300.450 3.028 20 0 DGADLP C[C@@H](CC[N@H+](C)CCCn1cc[nH+]c1)OCc1ccccc1 ZINC000354727063 433239054 /nfs/dbraw/zinc/23/90/54/433239054.db2.gz GTFSTFMZJUUTJR-KRWDZBQOSA-N 2 2 301.434 3.200 20 0 DGADLP C[C@@H](CC[N@@H+](C)CCCn1cc[nH+]c1)OCc1ccccc1 ZINC000354727063 433239062 /nfs/dbraw/zinc/23/90/62/433239062.db2.gz GTFSTFMZJUUTJR-KRWDZBQOSA-N 2 2 301.434 3.200 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C12CCCC2 ZINC000447592508 433240743 /nfs/dbraw/zinc/24/07/43/433240743.db2.gz LZCAOSWAMYKTCD-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C12CCCC2 ZINC000447592508 433240752 /nfs/dbraw/zinc/24/07/52/433240752.db2.gz LZCAOSWAMYKTCD-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000453618994 433246460 /nfs/dbraw/zinc/24/64/60/433246460.db2.gz JARHJHSEXZIAIE-LJQANCHMSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000453618994 433246466 /nfs/dbraw/zinc/24/64/66/433246466.db2.gz JARHJHSEXZIAIE-LJQANCHMSA-N 2 2 318.461 3.376 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350748556 433273268 /nfs/dbraw/zinc/27/32/68/433273268.db2.gz QLNDMRIXANWXHR-JKSUJKDBSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350748556 433273272 /nfs/dbraw/zinc/27/32/72/433273272.db2.gz QLNDMRIXANWXHR-JKSUJKDBSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000350748556 433273280 /nfs/dbraw/zinc/27/32/80/433273280.db2.gz QLNDMRIXANWXHR-JKSUJKDBSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000350748556 433273284 /nfs/dbraw/zinc/27/32/84/433273284.db2.gz QLNDMRIXANWXHR-JKSUJKDBSA-N 2 2 305.466 3.323 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000341784471 433273533 /nfs/dbraw/zinc/27/35/33/433273533.db2.gz XSEUVIGCNCDKQJ-ZDUSSCGKSA-N 2 2 322.836 3.287 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)Nc1[nH+]cnc2[nH]ccc21 ZINC000338258002 433286864 /nfs/dbraw/zinc/28/68/64/433286864.db2.gz ODKPKMCKZBDBRG-UHFFFAOYSA-N 2 2 309.417 3.280 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1[nH+]cnc2[nH]ccc21 ZINC000338258002 433286875 /nfs/dbraw/zinc/28/68/75/433286875.db2.gz ODKPKMCKZBDBRG-UHFFFAOYSA-N 2 2 309.417 3.280 20 0 DGADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CC1 ZINC000420899720 433298983 /nfs/dbraw/zinc/29/89/83/433298983.db2.gz HQCKOJMZHXLTLU-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CC1 ZINC000420899720 433298993 /nfs/dbraw/zinc/29/89/93/433298993.db2.gz HQCKOJMZHXLTLU-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000420902977 433300890 /nfs/dbraw/zinc/30/08/90/433300890.db2.gz AJXCLJIRIBITDA-PMACEKPBSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000420902977 433300901 /nfs/dbraw/zinc/30/09/01/433300901.db2.gz AJXCLJIRIBITDA-PMACEKPBSA-N 2 2 314.473 3.283 20 0 DGADLP Cc1csc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374895259 433303398 /nfs/dbraw/zinc/30/33/98/433303398.db2.gz MRQJJDNDJMMCSW-WBVHZDCISA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374895259 433303411 /nfs/dbraw/zinc/30/34/11/433303411.db2.gz MRQJJDNDJMMCSW-WBVHZDCISA-N 2 2 315.486 3.452 20 0 DGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830415 433304434 /nfs/dbraw/zinc/30/44/34/433304434.db2.gz GCZUHXIMQHNHLG-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830415 433304457 /nfs/dbraw/zinc/30/44/57/433304457.db2.gz GCZUHXIMQHNHLG-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830415 433304465 /nfs/dbraw/zinc/30/44/65/433304465.db2.gz GCZUHXIMQHNHLG-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000341830415 433304472 /nfs/dbraw/zinc/30/44/72/433304472.db2.gz GCZUHXIMQHNHLG-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917754 433312166 /nfs/dbraw/zinc/31/21/66/433312166.db2.gz TYYXMAYPMHRMDH-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917754 433312172 /nfs/dbraw/zinc/31/21/72/433312172.db2.gz TYYXMAYPMHRMDH-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP c1cc(C[N@@H+](CC2CC2)C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420966663 433354443 /nfs/dbraw/zinc/35/44/43/433354443.db2.gz REPFLOXQKOUPNI-UHFFFAOYSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[N@H+](CC2CC2)C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420966663 433354457 /nfs/dbraw/zinc/35/44/57/433354457.db2.gz REPFLOXQKOUPNI-UHFFFAOYSA-N 2 2 314.473 3.283 20 0 DGADLP CCC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000420976547 433359787 /nfs/dbraw/zinc/35/97/87/433359787.db2.gz QXBUXSKIBBTXMK-UHFFFAOYSA-N 2 2 302.462 3.331 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000414058320 433364025 /nfs/dbraw/zinc/36/40/25/433364025.db2.gz HBBKMKQZNJYLSE-CVEARBPZSA-N 2 2 315.461 3.449 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c[nH+]1 ZINC000354931456 433366461 /nfs/dbraw/zinc/36/64/61/433366461.db2.gz BPHGBGMAYJCTRR-SFHVURJKSA-N 2 2 309.457 3.221 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO[C@@H]1C1CC1 ZINC000375119721 433367714 /nfs/dbraw/zinc/36/77/14/433367714.db2.gz FNPBSNISFCGMRH-MOPGFXCFSA-N 2 2 311.429 3.167 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C2 ZINC000425913313 433373822 /nfs/dbraw/zinc/37/38/22/433373822.db2.gz GMOGOIFBWVZLKX-IAGOWNOFSA-N 2 2 304.478 3.118 20 0 DGADLP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1C ZINC000361670426 433333206 /nfs/dbraw/zinc/33/32/06/433333206.db2.gz IUPSOHFVJTWBGL-CZUORRHYSA-N 2 2 315.465 3.253 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000341885586 433337493 /nfs/dbraw/zinc/33/74/93/433337493.db2.gz FNOZGHMYUPIQNZ-HNNXBMFYSA-N 2 2 323.318 3.149 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000341885586 433337503 /nfs/dbraw/zinc/33/75/03/433337503.db2.gz FNOZGHMYUPIQNZ-HNNXBMFYSA-N 2 2 323.318 3.149 20 0 DGADLP Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc(C)[nH+]1 ZINC000301139745 433427941 /nfs/dbraw/zinc/42/79/41/433427941.db2.gz HAIZNXAKXUGNMX-UHFFFAOYSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc(C)[nH+]1 ZINC000301139745 433427946 /nfs/dbraw/zinc/42/79/46/433427946.db2.gz HAIZNXAKXUGNMX-UHFFFAOYSA-N 2 2 324.472 3.238 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000414079210 433379693 /nfs/dbraw/zinc/37/96/93/433379693.db2.gz SPRBZGNMKTZITJ-QZTJIDSGSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F)C[NH+](C)C ZINC000425942327 433381184 /nfs/dbraw/zinc/38/11/84/433381184.db2.gz FHHSUORHHUMNBS-GHMZBOCLSA-N 2 2 304.356 3.275 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448355973 433392841 /nfs/dbraw/zinc/39/28/41/433392841.db2.gz QNWVDMJAEDGLMY-QAPCUYQASA-N 2 2 304.478 3.423 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448355973 433392851 /nfs/dbraw/zinc/39/28/51/433392851.db2.gz QNWVDMJAEDGLMY-QAPCUYQASA-N 2 2 304.478 3.423 20 0 DGADLP C(=C/c1ccncc1)\C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167761 433432547 /nfs/dbraw/zinc/43/25/47/433432547.db2.gz MYPZQBQVZVMLTC-REMYHPOOSA-N 2 2 308.429 3.117 20 0 DGADLP C(=C/c1ccncc1)\C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000426167761 433432556 /nfs/dbraw/zinc/43/25/56/433432556.db2.gz MYPZQBQVZVMLTC-REMYHPOOSA-N 2 2 308.429 3.117 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccn(C)n1 ZINC000414112084 433403585 /nfs/dbraw/zinc/40/35/85/433403585.db2.gz JQUPQEGTPWTOFE-HZPDHXFCSA-N 2 2 312.461 3.296 20 0 DGADLP Cc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301101791 433412110 /nfs/dbraw/zinc/41/21/10/433412110.db2.gz YVFYKXOZXQEQOM-GASCZTMLSA-N 2 2 320.481 3.208 20 0 DGADLP Cc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301101791 433412116 /nfs/dbraw/zinc/41/21/16/433412116.db2.gz YVFYKXOZXQEQOM-GASCZTMLSA-N 2 2 320.481 3.208 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339176664 433415427 /nfs/dbraw/zinc/41/54/27/433415427.db2.gz YUJURQILIYAAMB-UHFFFAOYSA-N 2 2 313.445 3.228 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282002578 433461806 /nfs/dbraw/zinc/46/18/06/433461806.db2.gz IZFFEIFZCDTUMX-GOSISDBHSA-N 2 2 313.445 3.284 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877428 433434921 /nfs/dbraw/zinc/43/49/21/433434921.db2.gz MZHKALANUBCBIT-CRAIPNDOSA-N 2 2 316.470 3.036 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877428 433434925 /nfs/dbraw/zinc/43/49/25/433434925.db2.gz MZHKALANUBCBIT-CRAIPNDOSA-N 2 2 316.470 3.036 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000355046123 433436228 /nfs/dbraw/zinc/43/62/28/433436228.db2.gz DIAUWGMRKKICMK-UKRRQHHQSA-N 2 2 316.367 3.023 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000355046123 433436235 /nfs/dbraw/zinc/43/62/35/433436235.db2.gz DIAUWGMRKKICMK-UKRRQHHQSA-N 2 2 316.367 3.023 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339211125 433440674 /nfs/dbraw/zinc/44/06/74/433440674.db2.gz BJCZGHJTXFBYSO-KRWDZBQOSA-N 2 2 313.445 3.087 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339211125 433440685 /nfs/dbraw/zinc/44/06/85/433440685.db2.gz BJCZGHJTXFBYSO-KRWDZBQOSA-N 2 2 313.445 3.087 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000361893646 433441656 /nfs/dbraw/zinc/44/16/56/433441656.db2.gz YEMJCBOEVXMVNN-HKUYNNGSSA-N 2 2 304.478 3.332 20 0 DGADLP FC(F)C1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000281960249 433445979 /nfs/dbraw/zinc/44/59/79/433445979.db2.gz MWUMDXXUPFSELZ-UHFFFAOYSA-N 2 2 323.431 3.460 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2c1OC(C)(C)C2 ZINC000355115999 433472083 /nfs/dbraw/zinc/47/20/83/433472083.db2.gz RRRCVUNUTCPYQI-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2c1OC(C)(C)C2 ZINC000355115999 433472093 /nfs/dbraw/zinc/47/20/93/433472093.db2.gz RRRCVUNUTCPYQI-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000355115999 433472100 /nfs/dbraw/zinc/47/21/00/433472100.db2.gz RRRCVUNUTCPYQI-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1OC(C)(C)C2 ZINC000355115999 433472108 /nfs/dbraw/zinc/47/21/08/433472108.db2.gz RRRCVUNUTCPYQI-MSOLQXFVSA-N 2 2 314.473 3.459 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000361967051 433469636 /nfs/dbraw/zinc/46/96/36/433469636.db2.gz PLQSWFLJKYHFSR-IHRRRGAJSA-N 2 2 324.440 3.366 20 0 DGADLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1ccccc1)C1CC1 ZINC000351488123 433524999 /nfs/dbraw/zinc/52/49/99/433524999.db2.gz DSFWXPXFOIKQKT-FQEVSTJZSA-N 2 2 324.468 3.241 20 0 DGADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1ccccc1)C1CC1 ZINC000351488123 433525007 /nfs/dbraw/zinc/52/50/07/433525007.db2.gz DSFWXPXFOIKQKT-FQEVSTJZSA-N 2 2 324.468 3.241 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000375705845 433537423 /nfs/dbraw/zinc/53/74/23/433537423.db2.gz QNMWVOXRVHGCJS-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000375705845 433537433 /nfs/dbraw/zinc/53/74/33/433537433.db2.gz QNMWVOXRVHGCJS-MRXNPFEDSA-N 2 2 322.412 3.455 20 0 DGADLP CCOc1ccc(C[NH+]2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000301282072 433487024 /nfs/dbraw/zinc/48/70/24/433487024.db2.gz MYLHHDLSYJFINQ-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000414259277 433493188 /nfs/dbraw/zinc/49/31/88/433493188.db2.gz MFJIFQRIFVZYDV-TZMCWYRMSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000414259277 433493193 /nfs/dbraw/zinc/49/31/93/433493193.db2.gz MFJIFQRIFVZYDV-TZMCWYRMSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(O)c1Cl)CCC2 ZINC000339282695 433495379 /nfs/dbraw/zinc/49/53/79/433495379.db2.gz APCKLZWFVALADD-CYBMUJFWSA-N 2 2 305.809 3.218 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000414270423 433504241 /nfs/dbraw/zinc/50/42/41/433504241.db2.gz PWPZHLSROVKIPR-KRWDZBQOSA-N 2 2 300.450 3.016 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OCC1CC1 ZINC000414277696 433507253 /nfs/dbraw/zinc/50/72/53/433507253.db2.gz XIAVTRHOBZRHGO-UHFFFAOYSA-N 2 2 322.415 3.198 20 0 DGADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000292206814 433508942 /nfs/dbraw/zinc/50/89/42/433508942.db2.gz YONYQEXZGYHUMW-AWEZNQCLSA-N 2 2 311.385 3.345 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375618672 433509317 /nfs/dbraw/zinc/50/93/17/433509317.db2.gz AFVVQDQIRPERRA-VQIMIIECSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375618672 433509325 /nfs/dbraw/zinc/50/93/25/433509325.db2.gz AFVVQDQIRPERRA-VQIMIIECSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375618672 433509344 /nfs/dbraw/zinc/50/93/44/433509344.db2.gz AFVVQDQIRPERRA-VQIMIIECSA-N 2 2 316.493 3.221 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)c1cn(C(C)C)nn1 ZINC000421400558 433549083 /nfs/dbraw/zinc/54/90/83/433549083.db2.gz KCPGLHBVYMRQKF-UHFFFAOYSA-N 2 2 301.438 3.020 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H]1C[NH3+] ZINC000430574135 533693243 /nfs/dbraw/zinc/69/32/43/533693243.db2.gz ILCDRHFDLJGMGH-PXAZEXFGSA-N 2 2 303.381 3.040 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000339398522 433559014 /nfs/dbraw/zinc/55/90/14/433559014.db2.gz VQOPGEULZNXAGX-CZUORRHYSA-N 2 2 314.433 3.235 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000339398522 433559023 /nfs/dbraw/zinc/55/90/23/433559023.db2.gz VQOPGEULZNXAGX-CZUORRHYSA-N 2 2 314.433 3.235 20 0 DGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)Cc1ccccc1 ZINC000301460775 433563682 /nfs/dbraw/zinc/56/36/82/433563682.db2.gz YXBWHOBKEPNSKQ-MRXNPFEDSA-N 2 2 312.461 3.359 20 0 DGADLP Fc1cc(F)cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351547257 433566337 /nfs/dbraw/zinc/56/63/37/433566337.db2.gz WPSKKVMUOCJOAD-UHFFFAOYSA-N 2 2 300.312 3.217 20 0 DGADLP CCc1ncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000414358303 433567074 /nfs/dbraw/zinc/56/70/74/433567074.db2.gz BNVBWVPBYCIPSB-INIZCTEOSA-N 2 2 312.461 3.039 20 0 DGADLP CCc1ncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000414358303 433567083 /nfs/dbraw/zinc/56/70/83/433567083.db2.gz BNVBWVPBYCIPSB-INIZCTEOSA-N 2 2 312.461 3.039 20 0 DGADLP c1ccc(C[C@@H]2C[C@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000414357710 433567152 /nfs/dbraw/zinc/56/71/52/433567152.db2.gz JZKAPSCLEUXFTJ-WIYYLYMNSA-N 2 2 321.468 3.267 20 0 DGADLP c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414358887 433568423 /nfs/dbraw/zinc/56/84/23/433568423.db2.gz MWMWVBIMNQIIAA-CTNGQTDRSA-N 2 2 321.468 3.267 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1 ZINC000414389148 433593919 /nfs/dbraw/zinc/59/39/19/433593919.db2.gz FGVAUHIPFSUJQM-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H]1C[NH3+] ZINC000430574135 533693251 /nfs/dbraw/zinc/69/32/51/533693251.db2.gz ILCDRHFDLJGMGH-PXAZEXFGSA-N 2 2 303.381 3.040 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414365300 433572878 /nfs/dbraw/zinc/57/28/78/433572878.db2.gz OJJFSBWOWAQQOJ-LPHOPBHVSA-N 2 2 324.472 3.182 20 0 DGADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000414365300 433572883 /nfs/dbraw/zinc/57/28/83/433572883.db2.gz OJJFSBWOWAQQOJ-LPHOPBHVSA-N 2 2 324.472 3.182 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429331 433576891 /nfs/dbraw/zinc/57/68/91/433576891.db2.gz SNNNCIWFKRSQNA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429331 433576899 /nfs/dbraw/zinc/57/68/99/433576899.db2.gz SNNNCIWFKRSQNA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339429331 433576905 /nfs/dbraw/zinc/57/69/05/433576905.db2.gz SNNNCIWFKRSQNA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429331 433576913 /nfs/dbraw/zinc/57/69/13/433576913.db2.gz SNNNCIWFKRSQNA-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CCc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414373826 433583193 /nfs/dbraw/zinc/58/31/93/433583193.db2.gz ZYEDXXBQWDERBC-UHFFFAOYSA-N 2 2 314.477 3.116 20 0 DGADLP CCCc1csc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)n1 ZINC000351569297 433584852 /nfs/dbraw/zinc/58/48/52/433584852.db2.gz MXBZOQXDAMBCSH-UHFFFAOYSA-N 2 2 313.430 3.348 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339436821 433587603 /nfs/dbraw/zinc/58/76/03/433587603.db2.gz HVEKKEFVWJNMSZ-HXUWFJFHSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339436821 433587613 /nfs/dbraw/zinc/58/76/13/433587613.db2.gz HVEKKEFVWJNMSZ-HXUWFJFHSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339436821 433587620 /nfs/dbraw/zinc/58/76/20/433587620.db2.gz HVEKKEFVWJNMSZ-HXUWFJFHSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339436821 433587627 /nfs/dbraw/zinc/58/76/27/433587627.db2.gz HVEKKEFVWJNMSZ-HXUWFJFHSA-N 3 2 324.472 3.098 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351511794 433543204 /nfs/dbraw/zinc/54/32/04/433543204.db2.gz DFVMBWYWBCRGEL-LESCRADOSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351511794 433543218 /nfs/dbraw/zinc/54/32/18/433543218.db2.gz DFVMBWYWBCRGEL-LESCRADOSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000351511794 433543234 /nfs/dbraw/zinc/54/32/34/433543234.db2.gz DFVMBWYWBCRGEL-LESCRADOSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351511794 433543240 /nfs/dbraw/zinc/54/32/40/433543240.db2.gz DFVMBWYWBCRGEL-LESCRADOSA-N 2 2 320.477 3.070 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)CCO1 ZINC000362297465 433629617 /nfs/dbraw/zinc/62/96/17/433629617.db2.gz XPYVITITLQNFAD-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)CCO1 ZINC000362297465 433629625 /nfs/dbraw/zinc/62/96/25/433629625.db2.gz XPYVITITLQNFAD-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@H](CNc1cc[nH+]c2c(Cl)cccc12)C[NH+]1CCOCC1 ZINC000342351475 433629979 /nfs/dbraw/zinc/62/99/79/433629979.db2.gz RKNXYIYEZYJWAE-CYBMUJFWSA-N 2 2 319.836 3.268 20 0 DGADLP Clc1ccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000362300805 433632175 /nfs/dbraw/zinc/63/21/75/433632175.db2.gz WUBPYGGWSMYEOT-KRWDZBQOSA-N 2 2 302.805 3.431 20 0 DGADLP Clc1ccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000362300805 433632181 /nfs/dbraw/zinc/63/21/81/433632181.db2.gz WUBPYGGWSMYEOT-KRWDZBQOSA-N 2 2 302.805 3.431 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308620 433637261 /nfs/dbraw/zinc/63/72/61/433637261.db2.gz GIEHXTSZRWCBHS-AILXTGBUSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308620 433637270 /nfs/dbraw/zinc/63/72/70/433637270.db2.gz GIEHXTSZRWCBHS-AILXTGBUSA-N 2 2 313.489 3.462 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000356672720 433646407 /nfs/dbraw/zinc/64/64/07/433646407.db2.gz HWPZPBNZDHWWIY-UXHICEINSA-N 2 2 316.489 3.228 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000356672720 433646414 /nfs/dbraw/zinc/64/64/14/433646414.db2.gz HWPZPBNZDHWWIY-UXHICEINSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000282401132 433597893 /nfs/dbraw/zinc/59/78/93/433597893.db2.gz XWGTXDVZSSTCTB-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282401132 433597898 /nfs/dbraw/zinc/59/78/98/433597898.db2.gz XWGTXDVZSSTCTB-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP FC(F)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000282429422 433606865 /nfs/dbraw/zinc/60/68/65/433606865.db2.gz HFAKGLSSTOWVCR-MRXNPFEDSA-N 2 2 324.415 3.168 20 0 DGADLP FC(F)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000282429422 433606870 /nfs/dbraw/zinc/60/68/70/433606870.db2.gz HFAKGLSSTOWVCR-MRXNPFEDSA-N 2 2 324.415 3.168 20 0 DGADLP C[C@@H]1C[N@@H+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C[C@H](C)O1 ZINC000301554184 433609966 /nfs/dbraw/zinc/60/99/66/433609966.db2.gz IAEKQZQPVDHEFF-GASCZTMLSA-N 2 2 320.481 3.075 20 0 DGADLP C[C@@H]1C[N@H+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C[C@H](C)O1 ZINC000301554184 433609977 /nfs/dbraw/zinc/60/99/77/433609977.db2.gz IAEKQZQPVDHEFF-GASCZTMLSA-N 2 2 320.481 3.075 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427107271 433654975 /nfs/dbraw/zinc/65/49/75/433654975.db2.gz JOAXHJITTFVRRT-HZMBPMFUSA-N 2 2 315.244 3.186 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427107271 433654978 /nfs/dbraw/zinc/65/49/78/433654978.db2.gz JOAXHJITTFVRRT-HZMBPMFUSA-N 2 2 315.244 3.186 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427122560 433656375 /nfs/dbraw/zinc/65/63/75/433656375.db2.gz CMXFQQRFQKVXOT-QUCCMNQESA-N 2 2 322.452 3.449 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427122560 433656382 /nfs/dbraw/zinc/65/63/82/433656382.db2.gz CMXFQQRFQKVXOT-QUCCMNQESA-N 2 2 322.452 3.449 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449009246 433658223 /nfs/dbraw/zinc/65/82/23/433658223.db2.gz NHKMSWRTSYKKTK-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449009246 433658232 /nfs/dbraw/zinc/65/82/32/433658232.db2.gz NHKMSWRTSYKKTK-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)CCO1 ZINC000449013427 433659200 /nfs/dbraw/zinc/65/92/00/433659200.db2.gz CRVUTTBCAWEWJA-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3cccc4ccoc43)CC2)CCO1 ZINC000449013427 433659209 /nfs/dbraw/zinc/65/92/09/433659209.db2.gz CRVUTTBCAWEWJA-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP CO[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)c1ccc(Cl)cc1 ZINC000283128094 433673710 /nfs/dbraw/zinc/67/37/10/433673710.db2.gz NHLLARBNWBQHET-KRWDZBQOSA-N 2 2 310.869 3.490 20 0 DGADLP Cc1nc(N2CC[NH+](CC3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301707912 433687424 /nfs/dbraw/zinc/68/74/24/433687424.db2.gz WLFWEHPAMMYTSB-UHFFFAOYSA-N 2 2 302.466 3.104 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1OCC ZINC000427099478 433651122 /nfs/dbraw/zinc/65/11/22/433651122.db2.gz HVYKQTKRMFKXDB-DOTOQJQBSA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1OCC ZINC000427099478 433651135 /nfs/dbraw/zinc/65/11/35/433651135.db2.gz HVYKQTKRMFKXDB-DOTOQJQBSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)CCC2 ZINC000362335131 433651162 /nfs/dbraw/zinc/65/11/62/433651162.db2.gz KBDLYNCIGGVTPI-JKSUJKDBSA-N 2 2 312.461 3.486 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000367084343 293023264 /nfs/dbraw/zinc/02/32/64/293023264.db2.gz AICVHYGSHPLOSJ-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000367084343 293023267 /nfs/dbraw/zinc/02/32/67/293023267.db2.gz AICVHYGSHPLOSJ-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CCCCC2)n1 ZINC000367598134 293088740 /nfs/dbraw/zinc/08/87/40/293088740.db2.gz PJPXREKCMSFVSG-SFHVURJKSA-N 2 2 316.493 3.495 20 0 DGADLP CC[C@@]1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCC[NH2+]1 ZINC000368360688 293118950 /nfs/dbraw/zinc/11/89/50/293118950.db2.gz KISIDRHXLLVWQS-SFHVURJKSA-N 2 2 312.417 3.164 20 0 DGADLP COCCC1(C[NH2+]Cc2c[nH+]c3n2CCCC3)CCCCC1 ZINC000370261942 293166617 /nfs/dbraw/zinc/16/66/17/293166617.db2.gz OZEZIFCXWVQZEU-UHFFFAOYSA-N 2 2 305.466 3.296 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000292778058 293201953 /nfs/dbraw/zinc/20/19/53/293201953.db2.gz KHIFUNZNSJABKD-IEBWSBKVSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000292778058 293201955 /nfs/dbraw/zinc/20/19/55/293201955.db2.gz KHIFUNZNSJABKD-IEBWSBKVSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000292778058 293201956 /nfs/dbraw/zinc/20/19/56/293201956.db2.gz KHIFUNZNSJABKD-IEBWSBKVSA-N 2 2 301.478 3.430 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000292778058 293201958 /nfs/dbraw/zinc/20/19/58/293201958.db2.gz KHIFUNZNSJABKD-IEBWSBKVSA-N 2 2 301.478 3.430 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449050263 433709019 /nfs/dbraw/zinc/70/90/19/433709019.db2.gz UCAZJLPQEWGDHA-APWZRJJASA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449050263 433709030 /nfs/dbraw/zinc/70/90/30/433709030.db2.gz UCAZJLPQEWGDHA-APWZRJJASA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449050263 433709042 /nfs/dbraw/zinc/70/90/42/433709042.db2.gz UCAZJLPQEWGDHA-APWZRJJASA-N 2 2 314.473 3.452 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000372987931 293248470 /nfs/dbraw/zinc/24/84/70/293248470.db2.gz ALYTYEBTRVCNFJ-MRXNPFEDSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000372987931 293248472 /nfs/dbraw/zinc/24/84/72/293248472.db2.gz ALYTYEBTRVCNFJ-MRXNPFEDSA-N 2 2 317.408 3.397 20 0 DGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373364866 293265810 /nfs/dbraw/zinc/26/58/10/293265810.db2.gz LCPFSWRIJQWJJH-DNVCBOLYSA-N 2 2 313.445 3.128 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000339661053 433710525 /nfs/dbraw/zinc/71/05/25/433710525.db2.gz NSZWTVAZYRJUSU-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC000339661053 433710533 /nfs/dbraw/zinc/71/05/33/433710533.db2.gz NSZWTVAZYRJUSU-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1N(C)C ZINC000374267814 293374323 /nfs/dbraw/zinc/37/43/23/293374323.db2.gz DDKHDMUYTGDQEC-OAHLLOKOSA-N 2 2 312.461 3.179 20 0 DGADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(C)C ZINC000356829133 433717716 /nfs/dbraw/zinc/71/77/16/433717716.db2.gz CVUQZKLVKGHQIW-KWCYVHTRSA-N 2 2 322.415 3.052 20 0 DGADLP Cc1nc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)sc1C ZINC000356826721 433718301 /nfs/dbraw/zinc/71/83/01/433718301.db2.gz BHJRNBAIZALUQH-UHFFFAOYSA-N 2 2 321.412 3.266 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000427515353 433719875 /nfs/dbraw/zinc/71/98/75/433719875.db2.gz SQKATEDAKJTDNJ-QGZVFWFLSA-N 2 2 324.428 3.805 20 0 DGADLP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000449387397 433738944 /nfs/dbraw/zinc/73/89/44/433738944.db2.gz LKEYLNIYDSOFOX-OALUTQOASA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000449387397 433738958 /nfs/dbraw/zinc/73/89/58/433738958.db2.gz LKEYLNIYDSOFOX-OALUTQOASA-N 2 2 304.478 3.007 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000342619510 433740658 /nfs/dbraw/zinc/74/06/58/433740658.db2.gz RRQHKSKXJWFLSE-BYUHPEARSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000342619510 433740663 /nfs/dbraw/zinc/74/06/63/433740663.db2.gz RRQHKSKXJWFLSE-BYUHPEARSA-N 2 2 302.462 3.260 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000414610297 433742356 /nfs/dbraw/zinc/74/23/56/433742356.db2.gz ARQDGFVLWDMAFB-ZFWWWQNUSA-N 2 2 302.422 3.309 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000414610297 433742363 /nfs/dbraw/zinc/74/23/63/433742363.db2.gz ARQDGFVLWDMAFB-ZFWWWQNUSA-N 2 2 302.422 3.309 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000414610293 433742649 /nfs/dbraw/zinc/74/26/49/433742649.db2.gz ARQDGFVLWDMAFB-HIFRSBDPSA-N 2 2 302.422 3.309 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000414610293 433742656 /nfs/dbraw/zinc/74/26/56/433742656.db2.gz ARQDGFVLWDMAFB-HIFRSBDPSA-N 2 2 302.422 3.309 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCc3cccnc3CC2)c[nH+]1 ZINC000421827414 433752774 /nfs/dbraw/zinc/75/27/74/433752774.db2.gz XOFDUFRFVUZCEA-GOSISDBHSA-N 2 2 318.424 3.305 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862712 433759690 /nfs/dbraw/zinc/75/96/90/433759690.db2.gz PXLHNUSHPSFKJU-NWDGAFQWSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862712 433759696 /nfs/dbraw/zinc/75/96/96/433759696.db2.gz PXLHNUSHPSFKJU-NWDGAFQWSA-N 2 2 305.422 3.118 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000421847906 433771102 /nfs/dbraw/zinc/77/11/02/433771102.db2.gz ZDCRWMPOKZSXPU-BFQNTYOBSA-N 2 2 308.853 3.482 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000421847906 433771113 /nfs/dbraw/zinc/77/11/13/433771113.db2.gz ZDCRWMPOKZSXPU-BFQNTYOBSA-N 2 2 308.853 3.482 20 0 DGADLP Fc1ccc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000301784500 433724549 /nfs/dbraw/zinc/72/45/49/433724549.db2.gz VEDQRVPYWNBHAB-CQSZACIVSA-N 2 2 308.360 3.460 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000293535699 433773016 /nfs/dbraw/zinc/77/30/16/433773016.db2.gz CHUOLTXBPWICCM-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000293535699 433773028 /nfs/dbraw/zinc/77/30/28/433773028.db2.gz CHUOLTXBPWICCM-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000293535699 433773039 /nfs/dbraw/zinc/77/30/39/433773039.db2.gz CHUOLTXBPWICCM-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000293535699 433773044 /nfs/dbraw/zinc/77/30/44/433773044.db2.gz CHUOLTXBPWICCM-SFHVURJKSA-N 2 2 306.425 3.142 20 0 DGADLP [NH3+][C@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656833 433774461 /nfs/dbraw/zinc/77/44/61/433774461.db2.gz NOCSMJIKNBEATD-QTWIXLPOSA-N 2 2 308.425 3.312 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656833 433774468 /nfs/dbraw/zinc/77/44/68/433774468.db2.gz NOCSMJIKNBEATD-QTWIXLPOSA-N 2 2 308.425 3.312 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1OCC ZINC000414658471 433774554 /nfs/dbraw/zinc/77/45/54/433774554.db2.gz QYHWXIXKDAYIOB-UHFFFAOYSA-N 2 2 306.450 3.060 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1OCC ZINC000414658471 433774564 /nfs/dbraw/zinc/77/45/64/433774564.db2.gz QYHWXIXKDAYIOB-UHFFFAOYSA-N 2 2 306.450 3.060 20 0 DGADLP CCc1nc([C@H]2CCCC[N@@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000376582879 433779521 /nfs/dbraw/zinc/77/95/21/433779521.db2.gz VWMLKSZECANMQH-OAHLLOKOSA-N 2 2 317.437 3.144 20 0 DGADLP CCc1nc([C@H]2CCCC[N@H+]2CCCCn2cc[nH+]c2C)no1 ZINC000376582879 433779533 /nfs/dbraw/zinc/77/95/33/433779533.db2.gz VWMLKSZECANMQH-OAHLLOKOSA-N 2 2 317.437 3.144 20 0 DGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000414682902 433786103 /nfs/dbraw/zinc/78/61/03/433786103.db2.gz SHNOGAJLAYHFTG-UHFFFAOYSA-N 2 2 300.450 3.130 20 0 DGADLP c1coc(-c2ncc(C[NH2+]Cc3c[nH+]c4n3CCCC4)s2)c1 ZINC000376728843 433804304 /nfs/dbraw/zinc/80/43/04/433804304.db2.gz MNKBVKXFWFNYJM-UHFFFAOYSA-N 2 2 314.414 3.226 20 0 DGADLP CCC[C@@H]1CN(c2cc[nH+]c3ccsc32)CC[N@@H+]1CCOC ZINC000301944641 433804671 /nfs/dbraw/zinc/80/46/71/433804671.db2.gz WTYSCWDUJTZBRM-CQSZACIVSA-N 2 2 319.474 3.233 20 0 DGADLP CCC[C@@H]1CN(c2cc[nH+]c3ccsc32)CC[N@H+]1CCOC ZINC000301944641 433804678 /nfs/dbraw/zinc/80/46/78/433804678.db2.gz WTYSCWDUJTZBRM-CQSZACIVSA-N 2 2 319.474 3.233 20 0 DGADLP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[NH2+]C(C)(C)C ZINC000414710193 433806037 /nfs/dbraw/zinc/80/60/37/433806037.db2.gz RZAAWNIFILYTSL-UHFFFAOYSA-N 2 2 314.477 3.329 20 0 DGADLP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[NH2+]C(C)(C)C ZINC000414710193 433806044 /nfs/dbraw/zinc/80/60/44/433806044.db2.gz RZAAWNIFILYTSL-UHFFFAOYSA-N 2 2 314.477 3.329 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000343511328 433810773 /nfs/dbraw/zinc/81/07/73/433810773.db2.gz NOGSAJQRTGAYOV-FCEWJHQRSA-N 2 2 302.462 3.181 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000343511328 433810778 /nfs/dbraw/zinc/81/07/78/433810778.db2.gz NOGSAJQRTGAYOV-FCEWJHQRSA-N 2 2 302.462 3.181 20 0 DGADLP Cc1cc(Br)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000414750520 433816032 /nfs/dbraw/zinc/81/60/32/433816032.db2.gz LRWYWOOCTJHCFV-LLVKDONJSA-N 2 2 317.296 3.393 20 0 DGADLP Cc1cc(Br)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000414750520 433816041 /nfs/dbraw/zinc/81/60/41/433816041.db2.gz LRWYWOOCTJHCFV-LLVKDONJSA-N 2 2 317.296 3.393 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@@H](C[NH3+])C1 ZINC000414765850 433819005 /nfs/dbraw/zinc/81/90/05/433819005.db2.gz GMLXJDVZOZEJGX-WCQYABFASA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@@H](C[NH3+])C1 ZINC000414765850 433819011 /nfs/dbraw/zinc/81/90/11/433819011.db2.gz GMLXJDVZOZEJGX-WCQYABFASA-N 2 2 307.488 3.431 20 0 DGADLP Cc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000339842744 433819643 /nfs/dbraw/zinc/81/96/43/433819643.db2.gz SPQDGPAFTNHFAV-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000414766941 433820119 /nfs/dbraw/zinc/82/01/19/433820119.db2.gz IVGCHQYTTVFCNX-ZBFHGGJFSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000414766941 433820128 /nfs/dbraw/zinc/82/01/28/433820128.db2.gz IVGCHQYTTVFCNX-ZBFHGGJFSA-N 2 2 306.450 3.042 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000351964357 433821659 /nfs/dbraw/zinc/82/16/59/433821659.db2.gz LQYMENDFWWWVEL-HNNXBMFYSA-N 2 2 307.397 3.299 20 0 DGADLP COc1ccc2oc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc2c1 ZINC000414840075 433872839 /nfs/dbraw/zinc/87/28/39/433872839.db2.gz MFFCFKQEYMLEEV-KRWDZBQOSA-N 2 2 302.418 3.439 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)c1ccccc1 ZINC000414836520 433874972 /nfs/dbraw/zinc/87/49/72/433874972.db2.gz STRPWVZFLKJBOE-SFHVURJKSA-N 2 2 313.420 3.216 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000414771422 433826313 /nfs/dbraw/zinc/82/63/13/433826313.db2.gz QWIMYFLUHHYXRR-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000414771422 433826320 /nfs/dbraw/zinc/82/63/20/433826320.db2.gz QWIMYFLUHHYXRR-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000293688055 433827975 /nfs/dbraw/zinc/82/79/75/433827975.db2.gz RZUKXRDLFXJZAF-ZDUSSCGKSA-N 2 2 312.404 3.128 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(O)c2F)C1 ZINC000293688055 433827982 /nfs/dbraw/zinc/82/79/82/433827982.db2.gz RZUKXRDLFXJZAF-ZDUSSCGKSA-N 2 2 312.404 3.128 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713243 433830830 /nfs/dbraw/zinc/83/08/30/433830830.db2.gz ZIJJUFPRFUONHQ-QFBILLFUSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713243 433830843 /nfs/dbraw/zinc/83/08/43/433830843.db2.gz ZIJJUFPRFUONHQ-QFBILLFUSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000433032618 433838090 /nfs/dbraw/zinc/83/80/90/433838090.db2.gz MOAPKPCMTCLTBO-ATZDWAIDSA-N 2 2 322.452 3.285 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000433032618 433838100 /nfs/dbraw/zinc/83/81/00/433838100.db2.gz MOAPKPCMTCLTBO-ATZDWAIDSA-N 2 2 322.452 3.285 20 0 DGADLP CCn1nc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c2ccccc21 ZINC000351997581 433847798 /nfs/dbraw/zinc/84/77/98/433847798.db2.gz VBRRTPSWKDSFLU-INIZCTEOSA-N 2 2 314.477 3.362 20 0 DGADLP CCn1nc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c2ccccc21 ZINC000351997581 433847801 /nfs/dbraw/zinc/84/78/01/433847801.db2.gz VBRRTPSWKDSFLU-INIZCTEOSA-N 2 2 314.477 3.362 20 0 DGADLP CCn1nc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c2ccccc21 ZINC000351997581 433847811 /nfs/dbraw/zinc/84/78/11/433847811.db2.gz VBRRTPSWKDSFLU-INIZCTEOSA-N 2 2 314.477 3.362 20 0 DGADLP CCn1nc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c2ccccc21 ZINC000351997581 433847817 /nfs/dbraw/zinc/84/78/17/433847817.db2.gz VBRRTPSWKDSFLU-INIZCTEOSA-N 2 2 314.477 3.362 20 0 DGADLP Fc1ccc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000414807809 433850647 /nfs/dbraw/zinc/85/06/47/433850647.db2.gz DFJKXWHDINYLNO-YIONKMFJSA-N 2 2 317.433 3.322 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(Br)c1OC ZINC000414806385 433850750 /nfs/dbraw/zinc/85/07/50/433850750.db2.gz BQTNHPUKGATGKG-GFCCVEGCSA-N 2 2 315.255 3.065 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)ccc1Br ZINC000414810440 433851837 /nfs/dbraw/zinc/85/18/37/433851837.db2.gz OAVFPZMGFJKYBO-UHFFFAOYSA-N 2 2 315.255 3.065 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414810869 433852055 /nfs/dbraw/zinc/85/20/55/433852055.db2.gz OWWQBYZPZAEVLO-GBESFXJTSA-N 3 2 315.505 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414810869 433852061 /nfs/dbraw/zinc/85/20/61/433852061.db2.gz OWWQBYZPZAEVLO-GBESFXJTSA-N 3 2 315.505 3.004 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000339911484 433855225 /nfs/dbraw/zinc/85/52/25/433855225.db2.gz VZCUFGHRTSLUPP-AWEZNQCLSA-N 2 2 310.376 3.097 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000339911484 433855233 /nfs/dbraw/zinc/85/52/33/433855233.db2.gz VZCUFGHRTSLUPP-AWEZNQCLSA-N 2 2 310.376 3.097 20 0 DGADLP Clc1sc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Br ZINC000414847555 433878101 /nfs/dbraw/zinc/87/81/01/433878101.db2.gz OYFJSWLTNDIRGQ-SSDOTTSWSA-N 2 2 309.660 3.006 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1OC ZINC000414819787 433856853 /nfs/dbraw/zinc/85/68/53/433856853.db2.gz ZRCNFERDXGMSEQ-CYBMUJFWSA-N 2 2 315.255 3.065 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CCC2)cc1 ZINC000344297560 433858878 /nfs/dbraw/zinc/85/88/78/433858878.db2.gz OKDLBWSGBMCMRE-RDJZCZTQSA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)CCC2)cc1 ZINC000344297560 433858883 /nfs/dbraw/zinc/85/88/83/433858883.db2.gz OKDLBWSGBMCMRE-RDJZCZTQSA-N 2 2 314.473 3.332 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000344329434 433860763 /nfs/dbraw/zinc/86/07/63/433860763.db2.gz MZVQTYQTICVWOS-MAZHCROVSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)[C@@H](C)C1 ZINC000344329434 433860771 /nfs/dbraw/zinc/86/07/71/433860771.db2.gz MZVQTYQTICVWOS-MAZHCROVSA-N 2 2 308.853 3.484 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414833677 433868004 /nfs/dbraw/zinc/86/80/04/433868004.db2.gz PTUITSAUTQCDKG-RHSMWYFYSA-N 2 2 308.429 3.174 20 0 DGADLP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414832780 433869004 /nfs/dbraw/zinc/86/90/04/433869004.db2.gz OVBRVBXNADJWQQ-HNNXBMFYSA-N 2 2 322.355 3.086 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)sc2C1 ZINC000414836636 433870994 /nfs/dbraw/zinc/87/09/94/433870994.db2.gz IQQZDFOSTKJKOY-DOMZBBRYSA-N 2 2 307.507 3.265 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCC[NH2+]1 ZINC000422688441 433935244 /nfs/dbraw/zinc/93/52/44/433935244.db2.gz CYYLFVYGYTZPRA-MOPGFXCFSA-N 3 2 303.494 3.149 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C/C=C\c2ccccc2)cc1 ZINC000414888362 433906150 /nfs/dbraw/zinc/90/61/50/433906150.db2.gz RHMAPOHVTOCQPI-HNEQCIKNSA-N 2 2 322.452 3.444 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414905535 433910889 /nfs/dbraw/zinc/91/08/89/433910889.db2.gz OGRFXVBJBOYASQ-GFCCVEGCSA-N 2 2 303.233 3.234 20 0 DGADLP CC(C)c1nc(N2CCC3(CC[NH2+]3)CC2)cc(C(C)(C)C)[nH+]1 ZINC000422536617 433916366 /nfs/dbraw/zinc/91/63/66/433916366.db2.gz FXPCRJKGLBEOJE-UHFFFAOYSA-N 2 2 302.466 3.230 20 0 DGADLP COCCC1(C[NH2+]C[C@]2([NH+](C)C)CCSC2)CCCCC1 ZINC000436296929 433935626 /nfs/dbraw/zinc/93/56/26/433935626.db2.gz WAZANNIUXDSMAT-QGZVFWFLSA-N 2 2 314.539 3.000 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414929740 433919622 /nfs/dbraw/zinc/91/96/22/433919622.db2.gz OYQMOYFYIWGEEE-HNNXBMFYSA-N 2 2 316.474 3.073 20 0 DGADLP CCC[C@]1(CO)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000377588309 433920996 /nfs/dbraw/zinc/92/09/96/433920996.db2.gz RPLVRJSRNDQYBY-IBGZPJMESA-N 2 2 313.445 3.165 20 0 DGADLP CCC[C@]1(CO)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000377588309 433921006 /nfs/dbraw/zinc/92/10/06/433921006.db2.gz RPLVRJSRNDQYBY-IBGZPJMESA-N 2 2 313.445 3.165 20 0 DGADLP C[C@@H](C[NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000357246552 433924763 /nfs/dbraw/zinc/92/47/63/433924763.db2.gz XYNROBRKTIVKIN-NSHDSACASA-N 2 2 300.406 3.144 20 0 DGADLP CC[C@@H](C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)[NH+](CC)CC ZINC000435998428 433882461 /nfs/dbraw/zinc/88/24/61/433882461.db2.gz VWROQZYXQRLSPW-JKSUJKDBSA-N 2 2 320.481 3.077 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414855304 433886892 /nfs/dbraw/zinc/88/68/92/433886892.db2.gz WRQXGQFHQFTJLC-SFHVURJKSA-N 2 2 323.912 3.267 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414859376 433887151 /nfs/dbraw/zinc/88/71/51/433887151.db2.gz ASKNAOLUFBEKTL-ZDUSSCGKSA-N 2 2 306.356 3.283 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414861250 433892830 /nfs/dbraw/zinc/89/28/30/433892830.db2.gz WIBKDSZSAYZJPC-GHMZBOCLSA-N 2 2 315.230 3.066 20 0 DGADLP COCC[NH2+]CC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414868864 433894715 /nfs/dbraw/zinc/89/47/15/433894715.db2.gz FJUPLDWLZMYKFM-UHFFFAOYSA-N 2 2 316.470 3.163 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422700788 433942351 /nfs/dbraw/zinc/94/23/51/433942351.db2.gz ARPRYNXSIXALLU-RDTXWAMCSA-N 2 2 314.404 3.417 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000422718052 433944516 /nfs/dbraw/zinc/94/45/16/433944516.db2.gz WTKJLWKHNVJXCK-FXAWDEMLSA-N 3 2 315.505 3.293 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414967613 433945854 /nfs/dbraw/zinc/94/58/54/433945854.db2.gz XWCYAODVVFTZOH-CYBMUJFWSA-N 2 2 319.474 3.118 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422714318 433947309 /nfs/dbraw/zinc/94/73/09/433947309.db2.gz ILDXCCGDTMMUGJ-MSOLQXFVSA-N 2 2 317.477 3.291 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442048 433949446 /nfs/dbraw/zinc/94/94/46/433949446.db2.gz FSJAWJPWGGKZMI-YLJYHZDGSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442048 433949455 /nfs/dbraw/zinc/94/94/55/433949455.db2.gz FSJAWJPWGGKZMI-YLJYHZDGSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285442048 433949460 /nfs/dbraw/zinc/94/94/60/433949460.db2.gz FSJAWJPWGGKZMI-YLJYHZDGSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285442048 433949470 /nfs/dbraw/zinc/94/94/70/433949470.db2.gz FSJAWJPWGGKZMI-YLJYHZDGSA-N 2 2 322.456 3.136 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414972558 433950025 /nfs/dbraw/zinc/95/00/25/433950025.db2.gz AREMVWKUWXOCTQ-MRXNPFEDSA-N 2 2 320.868 3.029 20 0 DGADLP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725254 433950960 /nfs/dbraw/zinc/95/09/60/433950960.db2.gz AZRLKGSLFXLVSA-PBHICJAKSA-N 2 2 318.461 3.247 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1c[nH+]ccc1N ZINC000422726936 433951393 /nfs/dbraw/zinc/95/13/93/433951393.db2.gz AWVXVDXDGUHCMN-BBRMVZONSA-N 2 2 316.474 3.043 20 0 DGADLP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422726936 433951401 /nfs/dbraw/zinc/95/14/01/433951401.db2.gz AWVXVDXDGUHCMN-BBRMVZONSA-N 2 2 316.474 3.043 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(COc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422726741 433951653 /nfs/dbraw/zinc/95/16/53/433951653.db2.gz AHOICOCBWXHAAG-JXFKEZNVSA-N 2 2 310.441 3.496 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422732703 433956731 /nfs/dbraw/zinc/95/67/31/433956731.db2.gz QESBJVPFLPIQFN-FCGDIQPGSA-N 3 2 307.526 3.151 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422732703 433956740 /nfs/dbraw/zinc/95/67/40/433956740.db2.gz QESBJVPFLPIQFN-FCGDIQPGSA-N 3 2 307.526 3.151 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422736832 433962542 /nfs/dbraw/zinc/96/25/42/433962542.db2.gz HAAPJGOMUHUWKC-DZGCQCFKSA-N 2 2 317.502 3.489 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422749232 433969989 /nfs/dbraw/zinc/96/99/89/433969989.db2.gz YDPUXCYFHJYBNI-NSISKUIASA-N 3 2 315.505 3.462 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422749333 433973465 /nfs/dbraw/zinc/97/34/65/433973465.db2.gz YQFXJCLJOLVYOZ-LATSOQNDSA-N 3 2 313.489 3.085 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422759674 433978220 /nfs/dbraw/zinc/97/82/20/433978220.db2.gz FYDYTDNBFBKMFA-RLLQIKCJSA-N 3 2 315.505 3.334 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422759674 433978224 /nfs/dbraw/zinc/97/82/24/433978224.db2.gz FYDYTDNBFBKMFA-RLLQIKCJSA-N 3 2 315.505 3.334 20 0 DGADLP COc1ccc(Cl)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422764917 433981515 /nfs/dbraw/zinc/98/15/15/433981515.db2.gz OVAIBUAAYQRWKI-DYVFJYSZSA-N 2 2 318.848 3.397 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(C)[nH+]1 ZINC000436494114 433985796 /nfs/dbraw/zinc/98/57/96/433985796.db2.gz MRCUOCBNUQRLRX-UHFFFAOYSA-N 2 2 316.449 3.099 20 0 DGADLP CC[C@H](NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422772457 433990572 /nfs/dbraw/zinc/99/05/72/433990572.db2.gz YRQCHLCRDVWCPB-ULQDDVLXSA-N 2 2 309.885 3.063 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772457 433990583 /nfs/dbraw/zinc/99/05/83/433990583.db2.gz YRQCHLCRDVWCPB-ULQDDVLXSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414952106 433937259 /nfs/dbraw/zinc/93/72/59/433937259.db2.gz QMFSMSGSUJBWER-RDTXWAMCSA-N 3 2 321.896 3.035 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000303392641 433938896 /nfs/dbraw/zinc/93/88/96/433938896.db2.gz DVRKYVDQRYMXIB-LPHOPBHVSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000303392641 433938906 /nfs/dbraw/zinc/93/89/06/433938906.db2.gz DVRKYVDQRYMXIB-LPHOPBHVSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303392554 433940885 /nfs/dbraw/zinc/94/08/85/433940885.db2.gz AOEVGMMTYBYTSF-PKOBYXMFSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303392554 433940892 /nfs/dbraw/zinc/94/08/92/433940892.db2.gz AOEVGMMTYBYTSF-PKOBYXMFSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1c[nH+]ccc1N ZINC000422793531 434003469 /nfs/dbraw/zinc/00/34/69/434003469.db2.gz FRZDXZITPNZXST-JTQLQIEISA-N 2 2 311.307 3.244 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285584769 434005671 /nfs/dbraw/zinc/00/56/71/434005671.db2.gz UHEJCWQWVYNKMT-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285584769 434005684 /nfs/dbraw/zinc/00/56/84/434005684.db2.gz UHEJCWQWVYNKMT-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1ncc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285584769 434005690 /nfs/dbraw/zinc/00/56/90/434005690.db2.gz UHEJCWQWVYNKMT-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1ncc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285584769 434005699 /nfs/dbraw/zinc/00/56/99/434005699.db2.gz UHEJCWQWVYNKMT-SJPCQFCGSA-N 2 2 311.429 3.399 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422790971 434006245 /nfs/dbraw/zinc/00/62/45/434006245.db2.gz CNXVDOKFBYBHCQ-OLZOCXBDSA-N 2 2 302.340 3.335 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422799500 434011527 /nfs/dbraw/zinc/01/15/27/434011527.db2.gz XBDXEXPZZZSUSO-AAEUAGOBSA-N 2 2 302.340 3.205 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422801042 434017509 /nfs/dbraw/zinc/01/75/09/434017509.db2.gz DLHAKDFWUYRBGU-KSSFIOAISA-N 2 2 315.461 3.045 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422806871 434019476 /nfs/dbraw/zinc/01/94/76/434019476.db2.gz OCOQYROAYRMVIC-FXAWDEMLSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000305126781 434046648 /nfs/dbraw/zinc/04/66/48/434046648.db2.gz LMNHLDCCUXIPDP-SWLSCSKDSA-N 2 2 322.449 3.127 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000340258616 434020851 /nfs/dbraw/zinc/02/08/51/434020851.db2.gz MNEQONATKQIONS-RSPOEFSDSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CCC[N@H+]1Cc1ccccc1 ZINC000340258616 434020859 /nfs/dbraw/zinc/02/08/59/434020859.db2.gz MNEQONATKQIONS-RSPOEFSDSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000422813054 434026851 /nfs/dbraw/zinc/02/68/51/434026851.db2.gz XIAZEKYANFVCTJ-MJVIPROJSA-N 2 2 302.340 3.376 20 0 DGADLP Fc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000422827215 434029424 /nfs/dbraw/zinc/02/94/24/434029424.db2.gz MTPONNIAUIFMRB-MSOLQXFVSA-N 2 2 302.368 3.200 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422826337 434032279 /nfs/dbraw/zinc/03/22/79/434032279.db2.gz QSXKVJRKDTYAQL-KBXCAEBGSA-N 2 2 318.461 3.247 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000422827478 434036797 /nfs/dbraw/zinc/03/67/97/434036797.db2.gz NAAYVHHVYQJLLK-WOJBJXKFSA-N 3 2 318.424 3.166 20 0 DGADLP Cc1ccccc1[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000422833421 434037276 /nfs/dbraw/zinc/03/72/76/434037276.db2.gz GVBDTZZQJFHVPS-RYRKJORJSA-N 2 2 304.478 3.439 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305105766 434042575 /nfs/dbraw/zinc/04/25/75/434042575.db2.gz CWZWFMKFFZWRDN-MPGHIAIKSA-N 2 2 301.434 3.320 20 0 DGADLP CC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305125370 434044542 /nfs/dbraw/zinc/04/45/42/434044542.db2.gz KYSUEUCAYFIMFW-HNNXBMFYSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000422778301 433994022 /nfs/dbraw/zinc/99/40/22/433994022.db2.gz HJHALEALYRLAFJ-MDZLAQPJSA-N 2 2 317.260 3.411 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787526 434000984 /nfs/dbraw/zinc/00/09/84/434000984.db2.gz RLATZWDHAOILJQ-VEVIJQCQSA-N 2 2 316.424 3.111 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000422860029 434063376 /nfs/dbraw/zinc/06/33/76/434063376.db2.gz KYIIZXZNYXFBAF-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000422860029 434063381 /nfs/dbraw/zinc/06/33/81/434063381.db2.gz KYIIZXZNYXFBAF-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2Cl)CC[NH2+]1 ZINC000414959001 293894745 /nfs/dbraw/zinc/89/47/45/293894745.db2.gz WVQVGQXOOSHBHE-BXKDBHETSA-N 2 2 317.658 3.333 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414959094 293894782 /nfs/dbraw/zinc/89/47/82/293894782.db2.gz PKTYNSRAYSRJIB-OAHLLOKOSA-N 2 2 316.420 3.492 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)c1ccsc1 ZINC000422867928 434065892 /nfs/dbraw/zinc/06/58/92/434065892.db2.gz UEARNZUMRKQZPA-DYVFJYSZSA-N 2 2 318.490 3.289 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422874659 434072274 /nfs/dbraw/zinc/07/22/74/434072274.db2.gz OBEYOJQBUVKXQD-OKZBNKHCSA-N 2 2 320.502 3.364 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000422885819 434080021 /nfs/dbraw/zinc/08/00/21/434080021.db2.gz HGPQEZCAWXQWSJ-DYESRHJHSA-N 2 2 324.468 3.253 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000422883079 434081008 /nfs/dbraw/zinc/08/10/08/434081008.db2.gz ULSMVUXWEMGEGM-IAQYHMDHSA-N 2 2 316.367 3.334 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)oc2c1 ZINC000378099507 434083552 /nfs/dbraw/zinc/08/35/52/434083552.db2.gz KCPMEHYWLMNGAB-CQSZACIVSA-N 2 2 317.408 3.275 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)oc2c1 ZINC000378099507 434083561 /nfs/dbraw/zinc/08/35/61/434083561.db2.gz KCPMEHYWLMNGAB-CQSZACIVSA-N 2 2 317.408 3.275 20 0 DGADLP FC(F)(F)c1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)[nH]n1 ZINC000440815092 293937001 /nfs/dbraw/zinc/93/70/01/293937001.db2.gz RNAUFQNZYDCGRV-UHFFFAOYSA-N 2 2 323.322 3.027 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372130 434091633 /nfs/dbraw/zinc/09/16/33/434091633.db2.gz MTYOKGRILNEXBV-RTBURBONSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372130 434091641 /nfs/dbraw/zinc/09/16/41/434091641.db2.gz MTYOKGRILNEXBV-RTBURBONSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372130 434091651 /nfs/dbraw/zinc/09/16/51/434091651.db2.gz MTYOKGRILNEXBV-RTBURBONSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000340372130 434091660 /nfs/dbraw/zinc/09/16/60/434091660.db2.gz MTYOKGRILNEXBV-RTBURBONSA-N 2 2 320.452 3.291 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422896951 434093876 /nfs/dbraw/zinc/09/38/76/434093876.db2.gz YYIFTHITDTWSEE-FUHWJXTLSA-N 2 2 316.493 3.082 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746541 434096069 /nfs/dbraw/zinc/09/60/69/434096069.db2.gz UNNMZMZIAPFTDB-GDBMZVCRSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746541 434096076 /nfs/dbraw/zinc/09/60/76/434096076.db2.gz UNNMZMZIAPFTDB-GDBMZVCRSA-N 2 2 301.459 3.316 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340384386 434098133 /nfs/dbraw/zinc/09/81/33/434098133.db2.gz OCANURPUTSQPJA-HQRMLTQVSA-N 2 2 324.472 3.223 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340384386 434098137 /nfs/dbraw/zinc/09/81/37/434098137.db2.gz OCANURPUTSQPJA-HQRMLTQVSA-N 2 2 324.472 3.223 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C[C@H]3COc4ccccc43)C2)cc1 ZINC000305144761 434048676 /nfs/dbraw/zinc/04/86/76/434048676.db2.gz WWDNUOWFKFBADQ-OALUTQOASA-N 2 2 322.452 3.417 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@H]3COc4ccccc43)C2)cc1 ZINC000305144761 434048686 /nfs/dbraw/zinc/04/86/86/434048686.db2.gz WWDNUOWFKFBADQ-OALUTQOASA-N 2 2 322.452 3.417 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCOc3ccccc32)s1 ZINC000352808544 434051254 /nfs/dbraw/zinc/05/12/54/434051254.db2.gz AEJOCMJLQLOLSY-HNNXBMFYSA-N 2 2 317.458 3.208 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n[nH]1 ZINC000340307360 434051967 /nfs/dbraw/zinc/05/19/67/434051967.db2.gz WHWOSAUDASFVNZ-YJLNNSPDSA-N 2 2 312.461 3.074 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n[nH]1 ZINC000340307360 434051975 /nfs/dbraw/zinc/05/19/75/434051975.db2.gz WHWOSAUDASFVNZ-YJLNNSPDSA-N 2 2 312.461 3.074 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CC2(CCO)CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000340305172 434052078 /nfs/dbraw/zinc/05/20/78/434052078.db2.gz JFHKTQFZYOOYQM-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CC2(CCO)CCC2)CCC[N@H+]1Cc1ccccc1 ZINC000340305172 434052086 /nfs/dbraw/zinc/05/20/86/434052086.db2.gz JFHKTQFZYOOYQM-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422855644 434054958 /nfs/dbraw/zinc/05/49/58/434054958.db2.gz CWVBQIQSQPVUNV-BBRMVZONSA-N 2 2 323.868 3.097 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000422859982 434059379 /nfs/dbraw/zinc/05/93/79/434059379.db2.gz KUQDJJNNILQYMN-UWJYYQICSA-N 2 2 324.468 3.491 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422907732 434103819 /nfs/dbraw/zinc/10/38/19/434103819.db2.gz CGLZPVUNXPLBNH-OALUTQOASA-N 3 2 303.494 3.147 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422907732 434103828 /nfs/dbraw/zinc/10/38/28/434103828.db2.gz CGLZPVUNXPLBNH-OALUTQOASA-N 3 2 303.494 3.147 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353396492 434108945 /nfs/dbraw/zinc/10/89/45/434108945.db2.gz UAHYMKHWDAWADK-IHJVYAAUSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000353396492 434108950 /nfs/dbraw/zinc/10/89/50/434108950.db2.gz UAHYMKHWDAWADK-IHJVYAAUSA-N 3 2 315.505 3.112 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422914052 434109960 /nfs/dbraw/zinc/10/99/60/434109960.db2.gz ZYNSSJUTEADBCD-YDZRNGNQSA-N 3 2 321.553 3.397 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422914052 434109968 /nfs/dbraw/zinc/10/99/68/434109968.db2.gz ZYNSSJUTEADBCD-YDZRNGNQSA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C(c1cccs1)c1cccs1 ZINC000422922379 434111212 /nfs/dbraw/zinc/11/12/12/434111212.db2.gz QDTQVCYFEHFISE-STQMWFEESA-N 2 2 322.499 3.256 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H](C)c3c[nH+]ccc3N)o2)cs1 ZINC000422930005 434116209 /nfs/dbraw/zinc/11/62/09/434116209.db2.gz ARGZEHQYJCWUQQ-SNVBAGLBSA-N 2 2 314.414 3.370 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]1 ZINC000422928915 434117787 /nfs/dbraw/zinc/11/77/87/434117787.db2.gz NKUAHSBKQCHYCB-CABCVRRESA-N 2 2 324.852 3.122 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422937953 434121278 /nfs/dbraw/zinc/12/12/78/434121278.db2.gz KEDBONMYLDTDIB-JXFKEZNVSA-N 2 2 310.441 3.496 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000363611472 434101848 /nfs/dbraw/zinc/10/18/48/434101848.db2.gz IRYUXUXCXZYGGL-APWZRJJASA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000363611472 434101854 /nfs/dbraw/zinc/10/18/54/434101854.db2.gz IRYUXUXCXZYGGL-APWZRJJASA-N 3 2 312.461 3.007 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)[C@@H](C)C1 ZINC000498368870 294058151 /nfs/dbraw/zinc/05/81/51/294058151.db2.gz FLPPIUCWGQCQMF-LRDDRELGSA-N 2 2 310.844 3.441 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)[C@@H](C)C1 ZINC000498368870 294058155 /nfs/dbraw/zinc/05/81/55/294058155.db2.gz FLPPIUCWGQCQMF-LRDDRELGSA-N 2 2 310.844 3.441 20 0 DGADLP Cc1sc(C[NH2+][C@H](C)C2C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000422937081 294074228 /nfs/dbraw/zinc/07/42/28/294074228.db2.gz CEFRWVFQFSELEH-SNVBAGLBSA-N 2 2 321.877 3.469 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)o2)cs1 ZINC000422950860 434131940 /nfs/dbraw/zinc/13/19/40/434131940.db2.gz WTBUZWVQPRRAGC-FZMZJTMJSA-N 2 2 305.447 3.332 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481040916 294317369 /nfs/dbraw/zinc/31/73/69/294317369.db2.gz AGEVOGRNKDQHGH-LMMKCTJWSA-N 2 2 304.478 3.473 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000508552318 294325576 /nfs/dbraw/zinc/32/55/76/294325576.db2.gz MYRVDTQKIDGCAK-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000508552318 294325568 /nfs/dbraw/zinc/32/55/68/294325568.db2.gz MYRVDTQKIDGCAK-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000508552318 294325572 /nfs/dbraw/zinc/32/55/72/294325572.db2.gz MYRVDTQKIDGCAK-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000508552318 294325577 /nfs/dbraw/zinc/32/55/77/294325577.db2.gz MYRVDTQKIDGCAK-CQSZACIVSA-N 2 2 312.404 3.370 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481040918 294334074 /nfs/dbraw/zinc/33/40/74/294334074.db2.gz AGEVOGRNKDQHGH-SCTDSRPQSA-N 2 2 304.478 3.473 20 0 DGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000508981055 294337125 /nfs/dbraw/zinc/33/71/25/294337125.db2.gz ZLLHZQIBEUIIEN-RTBURBONSA-N 2 2 315.505 3.177 20 0 DGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000508981055 294337129 /nfs/dbraw/zinc/33/71/29/294337129.db2.gz ZLLHZQIBEUIIEN-RTBURBONSA-N 2 2 315.505 3.177 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120521 294340374 /nfs/dbraw/zinc/34/03/74/294340374.db2.gz GFHNGOSWKCEBFR-UYAOXDASSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509120521 294340379 /nfs/dbraw/zinc/34/03/79/294340379.db2.gz GFHNGOSWKCEBFR-UYAOXDASSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000509680959 294361648 /nfs/dbraw/zinc/36/16/48/294361648.db2.gz CJQXYGYLPHGLJG-OALUTQOASA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000509680959 294361650 /nfs/dbraw/zinc/36/16/50/294361650.db2.gz CJQXYGYLPHGLJG-OALUTQOASA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC000509680962 294361735 /nfs/dbraw/zinc/36/17/35/294361735.db2.gz CJQXYGYLPHGLJG-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC000509680962 294361736 /nfs/dbraw/zinc/36/17/36/294361736.db2.gz CJQXYGYLPHGLJG-RTBURBONSA-N 2 2 315.505 3.319 20 0 DGADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCCCC2)n1 ZINC000353441304 434134104 /nfs/dbraw/zinc/13/41/04/434134104.db2.gz MITXPVWIEKSMHW-QGZVFWFLSA-N 2 2 302.466 3.248 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422951415 434134453 /nfs/dbraw/zinc/13/44/53/434134453.db2.gz YLSUYRIASZIXMV-KBPBESRZSA-N 2 2 315.230 3.338 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000422968520 434145620 /nfs/dbraw/zinc/14/56/20/434145620.db2.gz RLSDTZXXCAELMO-FUHWJXTLSA-N 3 2 312.461 3.273 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422976919 434147582 /nfs/dbraw/zinc/14/75/82/434147582.db2.gz DXBKMWAQFRRRBM-XYPHTWIQSA-N 2 2 310.869 3.018 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422976020 434148191 /nfs/dbraw/zinc/14/81/91/434148191.db2.gz UHWMVWPVSWRTIC-WMLDXEAASA-N 2 2 303.450 3.023 20 0 DGADLP CCN(CC)c1ccc(N[C@H](C)c2ccc(C[NH3+])nc2C)c[nH+]1 ZINC000422984172 434155352 /nfs/dbraw/zinc/15/53/52/434155352.db2.gz XGMJKSPPDCKRRX-CQSZACIVSA-N 2 2 313.449 3.263 20 0 DGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422998118 434157087 /nfs/dbraw/zinc/15/70/87/434157087.db2.gz CCQNPEGUELCSRE-ACRUOGEOSA-N 2 2 324.468 3.365 20 0 DGADLP CCc1ccc([C@H](COC)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000423003024 434162908 /nfs/dbraw/zinc/16/29/08/434162908.db2.gz GSCSKZHOEQVOGW-VYDXJSESSA-N 2 2 308.466 3.430 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000295050706 434169015 /nfs/dbraw/zinc/16/90/15/434169015.db2.gz FRAAHYFWVSRFJW-IIIMJFFVSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000295050706 434169026 /nfs/dbraw/zinc/16/90/26/434169026.db2.gz FRAAHYFWVSRFJW-IIIMJFFVSA-N 2 2 322.880 3.022 20 0 DGADLP Cc1ccc([C@H](C[NH2+]C2CCC(O)CC2)[NH+]2CCCC2)cc1 ZINC000286116908 434170651 /nfs/dbraw/zinc/17/06/51/434170651.db2.gz NXDFZIUWCJGLLI-ACBHZAAOSA-N 2 2 302.462 3.025 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCCOC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423036435 434175254 /nfs/dbraw/zinc/17/52/54/434175254.db2.gz UARFKASTMKNCSF-MOPGFXCFSA-N 2 2 320.477 3.283 20 0 DGADLP COc1ccccc1[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC(C)C ZINC000423046368 434186305 /nfs/dbraw/zinc/18/63/05/434186305.db2.gz DJXFCQXYZZGRMX-WDYCEAGBSA-N 2 2 320.477 3.282 20 0 DGADLP COc1ccccc1[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC(C)C ZINC000423046362 434189045 /nfs/dbraw/zinc/18/90/45/434189045.db2.gz DJXFCQXYZZGRMX-HHXXYDBFSA-N 2 2 320.477 3.282 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@H]1[NH3+] ZINC000316897131 434195206 /nfs/dbraw/zinc/19/52/06/434195206.db2.gz SYZVBWMPOJSLHF-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@H]1[NH3+] ZINC000316897131 434195212 /nfs/dbraw/zinc/19/52/12/434195212.db2.gz SYZVBWMPOJSLHF-IUODEOHRSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@@H]1[NH3+] ZINC000316897127 434197457 /nfs/dbraw/zinc/19/74/57/434197457.db2.gz SYZVBWMPOJSLHF-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC[C@@H]1[NH3+] ZINC000316897127 434197470 /nfs/dbraw/zinc/19/74/70/434197470.db2.gz SYZVBWMPOJSLHF-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP COc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423060199 434197782 /nfs/dbraw/zinc/19/77/82/434197782.db2.gz HPIKEKLCYKMNAP-ROUUACIJSA-N 2 2 314.404 3.417 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)CC2 ZINC000423058779 434198307 /nfs/dbraw/zinc/19/83/07/434198307.db2.gz DBSXHNJIDQBLRM-LSBZLQRGSA-N 2 2 302.462 3.154 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286224732 434200733 /nfs/dbraw/zinc/20/07/33/434200733.db2.gz SNXMHZZBYKBXHX-JDFRZJQESA-N 2 2 318.461 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286224732 434200740 /nfs/dbraw/zinc/20/07/40/434200740.db2.gz SNXMHZZBYKBXHX-JDFRZJQESA-N 2 2 318.461 3.146 20 0 DGADLP COCc1ccccc1/C=C(\C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000353525745 434203888 /nfs/dbraw/zinc/20/38/88/434203888.db2.gz YWBXDPJZBYCYBZ-GHRIWEEISA-N 2 2 313.445 3.455 20 0 DGADLP COCc1ccccc1/C=C(\C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000353525745 434203896 /nfs/dbraw/zinc/20/38/96/434203896.db2.gz YWBXDPJZBYCYBZ-GHRIWEEISA-N 2 2 313.445 3.455 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000353534258 434206115 /nfs/dbraw/zinc/20/61/15/434206115.db2.gz HVSSXXBIHMGLIH-RDJZCZTQSA-N 2 2 320.477 3.308 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)sc2C1 ZINC000346215076 434207127 /nfs/dbraw/zinc/20/71/27/434207127.db2.gz PJRSRXLXMXUWGG-KBPBESRZSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)sc2C1 ZINC000346215076 434207135 /nfs/dbraw/zinc/20/71/35/434207135.db2.gz PJRSRXLXMXUWGG-KBPBESRZSA-N 2 2 307.507 3.388 20 0 DGADLP c1cn(CC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)c[nH+]1 ZINC000353540634 434211814 /nfs/dbraw/zinc/21/18/14/434211814.db2.gz GXWSUTDYWFNIJL-IBGZPJMESA-N 2 2 318.380 3.404 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cn1 ZINC000353544872 434214382 /nfs/dbraw/zinc/21/43/82/434214382.db2.gz RGSIFXDKRMKJCN-IIDMSEBBSA-N 2 2 323.456 3.007 20 0 DGADLP COc1cccc2c(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc[nH+]c12 ZINC000286275390 434214591 /nfs/dbraw/zinc/21/45/91/434214591.db2.gz GMVDGCAWKYYEGK-YIONKMFJSA-N 2 2 311.429 3.305 20 0 DGADLP COc1cccc2c(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc[nH+]c12 ZINC000286275390 434214596 /nfs/dbraw/zinc/21/45/96/434214596.db2.gz GMVDGCAWKYYEGK-YIONKMFJSA-N 2 2 311.429 3.305 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000295118936 434214796 /nfs/dbraw/zinc/21/47/96/434214796.db2.gz YHBUFWJTQFZNPK-HFTRVMKXSA-N 2 2 321.534 3.084 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000295118936 434214810 /nfs/dbraw/zinc/21/48/10/434214810.db2.gz YHBUFWJTQFZNPK-HFTRVMKXSA-N 2 2 321.534 3.084 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000295118948 434215198 /nfs/dbraw/zinc/21/51/98/434215198.db2.gz YHBUFWJTQFZNPK-LESCRADOSA-N 2 2 321.534 3.084 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000295118948 434215208 /nfs/dbraw/zinc/21/52/08/434215208.db2.gz YHBUFWJTQFZNPK-LESCRADOSA-N 2 2 321.534 3.084 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000364047078 434215937 /nfs/dbraw/zinc/21/59/37/434215937.db2.gz YGPHQHDZEFHVRS-INIZCTEOSA-N 2 2 313.449 3.162 20 0 DGADLP C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423013316 434166182 /nfs/dbraw/zinc/16/61/82/434166182.db2.gz FNMHXLHUGKMGSM-YVFQKMDQSA-N 2 2 312.816 3.039 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000353482564 434166332 /nfs/dbraw/zinc/16/63/32/434166332.db2.gz FOCMBZYLTJVTFY-RDJZCZTQSA-N 2 2 300.450 3.209 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000353482564 434166336 /nfs/dbraw/zinc/16/63/36/434166336.db2.gz FOCMBZYLTJVTFY-RDJZCZTQSA-N 2 2 300.450 3.209 20 0 DGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286104699 434167815 /nfs/dbraw/zinc/16/78/15/434167815.db2.gz LEYCWERNSDFVJI-LSDHHAIUSA-N 2 2 302.447 3.031 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423138076 434243171 /nfs/dbraw/zinc/24/31/71/434243171.db2.gz RZCMRVXIWOSZHP-ZWNOBZJWSA-N 2 2 302.340 3.047 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423141813 434245198 /nfs/dbraw/zinc/24/51/98/434245198.db2.gz RWIFHQJSPSCLRX-YZGWKJHDSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423141813 434245200 /nfs/dbraw/zinc/24/52/00/434245200.db2.gz RWIFHQJSPSCLRX-YZGWKJHDSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423146571 434247652 /nfs/dbraw/zinc/24/76/52/434247652.db2.gz PQRVPXYWNWPZFW-BBRMVZONSA-N 3 2 318.852 3.003 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)CCC2 ZINC000364154525 434248083 /nfs/dbraw/zinc/24/80/83/434248083.db2.gz FNZYQJQOWRXBMB-SJORKVTESA-N 2 2 321.428 3.171 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148678 434248139 /nfs/dbraw/zinc/24/81/39/434248139.db2.gz GJTUCOJQDANDDV-IEBWSBKVSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148678 434248144 /nfs/dbraw/zinc/24/81/44/434248144.db2.gz GJTUCOJQDANDDV-IEBWSBKVSA-N 3 2 315.505 3.019 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)c2ccccc21 ZINC000423165461 434257789 /nfs/dbraw/zinc/25/77/89/434257789.db2.gz XYYFTLPSQNVZNV-KGLIPLIRSA-N 2 2 307.319 3.335 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423167183 434260357 /nfs/dbraw/zinc/26/03/57/434260357.db2.gz DRUPVWQIDIRGJT-QWRGUYRKSA-N 2 2 303.631 3.072 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000340637553 434260603 /nfs/dbraw/zinc/26/06/03/434260603.db2.gz IFQFQBBXXBYYAJ-CABCVRRESA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000340637553 434260608 /nfs/dbraw/zinc/26/06/08/434260608.db2.gz IFQFQBBXXBYYAJ-CABCVRRESA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H](c1ccccc1F)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000340640099 434263929 /nfs/dbraw/zinc/26/39/29/434263929.db2.gz XWPNFMYNJCUFCX-GJZGRUSLSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H](c1ccccc1F)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000340640099 434263938 /nfs/dbraw/zinc/26/39/38/434263938.db2.gz XWPNFMYNJCUFCX-GJZGRUSLSA-N 2 2 306.425 3.072 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000423177280 434267140 /nfs/dbraw/zinc/26/71/40/434267140.db2.gz GXWFZLPHONHILE-VIFPVBQESA-N 2 2 313.232 3.097 20 0 DGADLP [NH3+]CC[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423182385 434268061 /nfs/dbraw/zinc/26/80/61/434268061.db2.gz LQKLXKPOBUQEAU-LBPRGKRZSA-N 2 2 307.850 3.389 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187893 434269739 /nfs/dbraw/zinc/26/97/39/434269739.db2.gz YKWQTAVDNJATFR-IEBWSBKVSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187893 434269746 /nfs/dbraw/zinc/26/97/46/434269746.db2.gz YKWQTAVDNJATFR-IEBWSBKVSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295135489 434223068 /nfs/dbraw/zinc/22/30/68/434223068.db2.gz YZNQSSQKSWFJNM-WMLDXEAASA-N 2 2 315.486 3.104 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295135489 434223076 /nfs/dbraw/zinc/22/30/76/434223076.db2.gz YZNQSSQKSWFJNM-WMLDXEAASA-N 2 2 315.486 3.104 20 0 DGADLP CCOc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)n1 ZINC000353554719 434224917 /nfs/dbraw/zinc/22/49/17/434224917.db2.gz LIYJHKCXQSSTSS-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)n1 ZINC000353554719 434224928 /nfs/dbraw/zinc/22/49/28/434224928.db2.gz LIYJHKCXQSSTSS-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)n1 ZINC000353554719 434224935 /nfs/dbraw/zinc/22/49/35/434224935.db2.gz LIYJHKCXQSSTSS-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP CCOc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000353554719 434224945 /nfs/dbraw/zinc/22/49/45/434224945.db2.gz LIYJHKCXQSSTSS-UHFFFAOYSA-N 2 2 317.433 3.027 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000423116564 434227408 /nfs/dbraw/zinc/22/74/08/434227408.db2.gz QKVZDQRPHZHPCO-MNOVXSKESA-N 2 2 303.269 3.260 20 0 DGADLP CCSCCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423115566 434227815 /nfs/dbraw/zinc/22/78/15/434227815.db2.gz NNYWPBCFLIBGDD-DLBZAZTESA-N 2 2 308.491 3.221 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792390 434228067 /nfs/dbraw/zinc/22/80/67/434228067.db2.gz ZTWZJNLXFNLPKX-QYZOEREBSA-N 3 2 321.553 3.494 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000319792390 434228077 /nfs/dbraw/zinc/22/80/77/434228077.db2.gz ZTWZJNLXFNLPKX-QYZOEREBSA-N 3 2 321.553 3.494 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCSC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423118926 434229387 /nfs/dbraw/zinc/22/93/87/434229387.db2.gz CSADQRYWOOLCIJ-JLSDUUJJSA-N 2 2 320.502 3.221 20 0 DGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423125261 434234283 /nfs/dbraw/zinc/23/42/83/434234283.db2.gz QBUHEIJLBYQIBQ-CFVMTHIKSA-N 2 2 300.368 3.138 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423125260 434234642 /nfs/dbraw/zinc/23/46/42/434234642.db2.gz QBUHEIJLBYQIBQ-BPLDGKMQSA-N 2 2 300.368 3.138 20 0 DGADLP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000423207568 434284138 /nfs/dbraw/zinc/28/41/38/434284138.db2.gz RWEXZZWXAKQGSR-SMDDNHRTSA-N 2 2 317.433 3.278 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000358010422 434286928 /nfs/dbraw/zinc/28/69/28/434286928.db2.gz XFZPNYWKPDBSTO-ZBFHGGJFSA-N 2 2 318.461 3.371 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000358010422 434286936 /nfs/dbraw/zinc/28/69/36/434286936.db2.gz XFZPNYWKPDBSTO-ZBFHGGJFSA-N 2 2 318.461 3.371 20 0 DGADLP c1cncc(C[NH+]2CCC(Nc3ccc4c(c3)CC[NH2+]4)CC2)c1 ZINC000423217190 434290189 /nfs/dbraw/zinc/29/01/89/434290189.db2.gz PLGDKNAHHWFXRI-UHFFFAOYSA-N 2 2 308.429 3.126 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[NH+](C3CC3)C[C@@H]2C)c1 ZINC000358030549 434295578 /nfs/dbraw/zinc/29/55/78/434295578.db2.gz ATIFMYSJOKXHNB-JXFKEZNVSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[NH+](C3CC3)C[C@@H]2C)c1 ZINC000358030549 434295589 /nfs/dbraw/zinc/29/55/89/434295589.db2.gz ATIFMYSJOKXHNB-JXFKEZNVSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000358030549 434295594 /nfs/dbraw/zinc/29/55/94/434295594.db2.gz ATIFMYSJOKXHNB-JXFKEZNVSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000358030549 434295599 /nfs/dbraw/zinc/29/55/99/434295599.db2.gz ATIFMYSJOKXHNB-JXFKEZNVSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000423229066 434299396 /nfs/dbraw/zinc/29/93/96/434299396.db2.gz AEKBNLCSMWQIQD-DGCLKSJQSA-N 2 2 300.418 3.446 20 0 DGADLP Cc1ccsc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231087 434300120 /nfs/dbraw/zinc/30/01/20/434300120.db2.gz KRVVALRUNFSYHT-CYBMUJFWSA-N 2 2 302.447 3.034 20 0 DGADLP c1cc2c(s1)CCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232453 434300662 /nfs/dbraw/zinc/30/06/62/434300662.db2.gz MPMWCPJOPBBJEW-OAHLLOKOSA-N 2 2 314.458 3.042 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)s1 ZINC000348402713 434302060 /nfs/dbraw/zinc/30/20/60/434302060.db2.gz FVAWVGQIHYXXRG-LLVKDONJSA-N 2 2 321.412 3.368 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)s1 ZINC000348402713 434302069 /nfs/dbraw/zinc/30/20/69/434302069.db2.gz FVAWVGQIHYXXRG-LLVKDONJSA-N 2 2 321.412 3.368 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423238702 434303957 /nfs/dbraw/zinc/30/39/57/434303957.db2.gz ASFLRKGOMSSZIE-PBHICJAKSA-N 2 2 314.429 3.363 20 0 DGADLP Clc1ccc([C@@H](Cc2cccnc2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423245924 434310465 /nfs/dbraw/zinc/31/04/65/434310465.db2.gz YYDCTJGGMIZSIB-QZTJIDSGSA-N 2 2 315.848 3.360 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423243354 434310481 /nfs/dbraw/zinc/31/04/81/434310481.db2.gz KESVIBSFMVIOSM-IBGZPJMESA-N 2 2 316.420 3.317 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCSC2)CCC1 ZINC000386815194 434314112 /nfs/dbraw/zinc/31/41/12/434314112.db2.gz FFYHMFOGZOBMMN-KRWDZBQOSA-N 2 2 304.503 3.384 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H]2CCSC2)CCC1 ZINC000386815194 434314118 /nfs/dbraw/zinc/31/41/18/434314118.db2.gz FFYHMFOGZOBMMN-KRWDZBQOSA-N 2 2 304.503 3.384 20 0 DGADLP COc1cc(F)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000517157928 294658396 /nfs/dbraw/zinc/65/83/96/294658396.db2.gz ZRWRBVBBKOICET-CQSZACIVSA-N 2 2 324.440 3.197 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423258650 434317791 /nfs/dbraw/zinc/31/77/91/434317791.db2.gz CFXCZCDBOOBIBQ-DYVFJYSZSA-N 2 2 306.450 3.262 20 0 DGADLP COC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000386899356 434318906 /nfs/dbraw/zinc/31/89/06/434318906.db2.gz OLPPJEXXUZARLX-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP COC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000386899356 434318912 /nfs/dbraw/zinc/31/89/12/434318912.db2.gz OLPPJEXXUZARLX-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000437703867 434319103 /nfs/dbraw/zinc/31/91/03/434319103.db2.gz XGRRBLRQPYNRRF-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000437703867 434319107 /nfs/dbraw/zinc/31/91/07/434319107.db2.gz XGRRBLRQPYNRRF-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000437703867 434319117 /nfs/dbraw/zinc/31/91/17/434319117.db2.gz XGRRBLRQPYNRRF-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000437703867 434319127 /nfs/dbraw/zinc/31/91/27/434319127.db2.gz XGRRBLRQPYNRRF-AEFFLSMTSA-N 2 2 317.477 3.177 20 0 DGADLP CC[C@@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000387397304 434322908 /nfs/dbraw/zinc/32/29/08/434322908.db2.gz QDTHZCZMTXFGEK-CYBMUJFWSA-N 2 2 302.422 3.064 20 0 DGADLP CC[C@@H](C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000387397304 434322914 /nfs/dbraw/zinc/32/29/14/434322914.db2.gz QDTHZCZMTXFGEK-CYBMUJFWSA-N 2 2 302.422 3.064 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000388065736 434327395 /nfs/dbraw/zinc/32/73/95/434327395.db2.gz QTVCTJSMUIQWPM-MANSERQUSA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000423273652 434327878 /nfs/dbraw/zinc/32/78/78/434327878.db2.gz KUQFQSKSLPTOOW-TVQRCGJNSA-N 2 2 303.219 3.222 20 0 DGADLP C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358104774 434332854 /nfs/dbraw/zinc/33/28/54/434332854.db2.gz YTNBLWKVFVJKHL-CYBMUJFWSA-N 2 2 323.425 3.432 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423195979 434278479 /nfs/dbraw/zinc/27/84/79/434278479.db2.gz YRAPFSGSLZZQQV-NSHDSACASA-N 2 2 320.234 3.416 20 0 DGADLP FC(F)(F)c1ccc2c(cc[nH+]c2NCC[C@H]2CCC[NH2+]2)c1 ZINC000420237216 294686383 /nfs/dbraw/zinc/68/63/83/294686383.db2.gz KYQBAGBPPRFMQY-CYBMUJFWSA-N 2 2 309.335 3.230 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cnccn1 ZINC000366219697 434361736 /nfs/dbraw/zinc/36/17/36/434361736.db2.gz SPOSNANERPQSCM-OAHLLOKOSA-N 2 2 302.466 3.172 20 0 DGADLP c1cn(CCCC2CC[NH+](CCc3cscn3)CC2)c[nH+]1 ZINC000450714440 434362276 /nfs/dbraw/zinc/36/22/76/434362276.db2.gz LMFIOFUXSNOBGF-UHFFFAOYSA-N 2 2 304.463 3.075 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000417354130 434365167 /nfs/dbraw/zinc/36/51/67/434365167.db2.gz LAPPVFJZRUAQEU-KRWDZBQOSA-N 2 2 300.446 3.073 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450724881 434366830 /nfs/dbraw/zinc/36/68/30/434366830.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450724881 434366839 /nfs/dbraw/zinc/36/68/39/434366839.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724881 434366846 /nfs/dbraw/zinc/36/68/46/434366846.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724881 434366857 /nfs/dbraw/zinc/36/68/57/434366857.db2.gz HGYOLNTVZDALHB-NLWGTHIKSA-N 3 2 321.553 3.492 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000390672795 434366970 /nfs/dbraw/zinc/36/69/70/434366970.db2.gz SNHARZNEVMPFBK-OTWHNJEPSA-N 3 2 315.505 3.147 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000390672795 434366980 /nfs/dbraw/zinc/36/69/80/434366980.db2.gz SNHARZNEVMPFBK-OTWHNJEPSA-N 3 2 315.505 3.147 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287473622 434368905 /nfs/dbraw/zinc/36/89/05/434368905.db2.gz WMYOWEJJOIPENK-RXQRSOPUSA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287473622 434368910 /nfs/dbraw/zinc/36/89/10/434368910.db2.gz WMYOWEJJOIPENK-RXQRSOPUSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000517932169 294698288 /nfs/dbraw/zinc/69/82/88/294698288.db2.gz FTIAODWKJOIHKC-ZFWWWQNUSA-N 2 2 312.417 3.231 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348522710 434373029 /nfs/dbraw/zinc/37/30/29/434373029.db2.gz ZDSBVJFKHVNCRM-HZPDHXFCSA-N 2 2 321.371 3.431 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000423345643 434373502 /nfs/dbraw/zinc/37/35/02/434373502.db2.gz YAESJOOYXVGQTA-HNNXBMFYSA-N 2 2 302.821 3.002 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000423346661 434376496 /nfs/dbraw/zinc/37/64/96/434376496.db2.gz ZDRGPZLLRLZHMO-KRWDZBQOSA-N 2 2 318.486 3.166 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744744 434386765 /nfs/dbraw/zinc/38/67/65/434386765.db2.gz HETAPPKKLFWNCB-FUHWJXTLSA-N 2 2 320.477 3.016 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744744 434386775 /nfs/dbraw/zinc/38/67/75/434386775.db2.gz HETAPPKKLFWNCB-FUHWJXTLSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744744 434386786 /nfs/dbraw/zinc/38/67/86/434386786.db2.gz HETAPPKKLFWNCB-FUHWJXTLSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCOC)C[C@@H]1C ZINC000353744744 434386797 /nfs/dbraw/zinc/38/67/97/434386797.db2.gz HETAPPKKLFWNCB-FUHWJXTLSA-N 2 2 320.477 3.016 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000423370547 434386892 /nfs/dbraw/zinc/38/68/92/434386892.db2.gz PPSCVUITMGAHJL-QITLCBANSA-N 2 2 317.383 3.156 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000450753229 434387000 /nfs/dbraw/zinc/38/70/00/434387000.db2.gz BINRYVUZBIHTHN-KZNAEPCWSA-N 2 2 304.482 3.219 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000450753229 434387008 /nfs/dbraw/zinc/38/70/08/434387008.db2.gz BINRYVUZBIHTHN-KZNAEPCWSA-N 2 2 304.482 3.219 20 0 DGADLP C[C@H]1[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000340852479 434389712 /nfs/dbraw/zinc/38/97/12/434389712.db2.gz XWFQWNXQLRVMBI-XJKSGUPXSA-N 2 2 307.401 3.033 20 0 DGADLP C[C@H]1[C@H](Nc2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000340852479 434389722 /nfs/dbraw/zinc/38/97/22/434389722.db2.gz XWFQWNXQLRVMBI-XJKSGUPXSA-N 2 2 307.401 3.033 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423371125 434390329 /nfs/dbraw/zinc/39/03/29/434390329.db2.gz AJWPCGVBFAYYIZ-RDJZCZTQSA-N 2 2 306.425 3.189 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000423286981 434337221 /nfs/dbraw/zinc/33/72/21/434337221.db2.gz JTZFJPQRAHBCOA-SECBINFHSA-N 2 2 318.234 3.151 20 0 DGADLP CSC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423281731 434340118 /nfs/dbraw/zinc/34/01/18/434340118.db2.gz UPPYPFHQINKJRG-ZIAGYGMSSA-N 2 2 318.408 3.436 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423282018 434341161 /nfs/dbraw/zinc/34/11/61/434341161.db2.gz VRFYRHKAVCESPA-NMLBUPMWSA-N 3 2 315.505 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423282018 434341173 /nfs/dbraw/zinc/34/11/73/434341173.db2.gz VRFYRHKAVCESPA-NMLBUPMWSA-N 3 2 315.505 3.003 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC([NH3+])(CC)CC)CCC2 ZINC000423287947 434342357 /nfs/dbraw/zinc/34/23/57/434342357.db2.gz PPDDTCNFWJZJSM-ZDUSSCGKSA-N 2 2 322.449 3.249 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423288660 434343492 /nfs/dbraw/zinc/34/34/92/434343492.db2.gz UEFRWKOAFYZEQI-AEFFLSMTSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423288660 434343504 /nfs/dbraw/zinc/34/35/04/434343504.db2.gz UEFRWKOAFYZEQI-AEFFLSMTSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000423288627 434344205 /nfs/dbraw/zinc/34/42/05/434344205.db2.gz TZUBUSDUOBHBTK-QGZVFWFLSA-N 2 2 301.409 3.417 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423294827 434346544 /nfs/dbraw/zinc/34/65/44/434346544.db2.gz CVHUQEPMOPBUKX-QXAKKESOSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423294827 434346551 /nfs/dbraw/zinc/34/65/51/434346551.db2.gz CVHUQEPMOPBUKX-QXAKKESOSA-N 3 2 303.494 3.004 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389850183 434353874 /nfs/dbraw/zinc/35/38/74/434353874.db2.gz UQOFIXFPGCZVOV-LZJOCLMNSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389850183 434353882 /nfs/dbraw/zinc/35/38/82/434353882.db2.gz UQOFIXFPGCZVOV-LZJOCLMNSA-N 2 2 324.468 3.433 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423309859 434355787 /nfs/dbraw/zinc/35/57/87/434355787.db2.gz MEOJARAKIQXXLS-OAHLLOKOSA-N 2 2 320.481 3.211 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423305377 434355968 /nfs/dbraw/zinc/35/59/68/434355968.db2.gz BMKPYCJMADKPJM-SNVBAGLBSA-N 2 2 303.269 3.087 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423315347 434356294 /nfs/dbraw/zinc/35/62/94/434356294.db2.gz XIBFAWFDLXVLEB-IRXDYDNUSA-N 2 2 310.869 3.019 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600936 434359646 /nfs/dbraw/zinc/35/96/46/434359646.db2.gz UNPOYFJBSMNJBH-APWZRJJASA-N 2 2 324.472 3.428 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncn1 ZINC000390600936 434359655 /nfs/dbraw/zinc/35/96/55/434359655.db2.gz UNPOYFJBSMNJBH-APWZRJJASA-N 2 2 324.472 3.428 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000366529920 434444355 /nfs/dbraw/zinc/44/43/55/434444355.db2.gz QXAIQWASBNTLMA-QBBMROGASA-N 2 2 320.481 3.114 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000366529920 434444366 /nfs/dbraw/zinc/44/43/66/434444366.db2.gz QXAIQWASBNTLMA-QBBMROGASA-N 2 2 320.481 3.114 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000295952190 434447644 /nfs/dbraw/zinc/44/76/44/434447644.db2.gz LMDWEFDLDDYCGK-LPHOPBHVSA-N 2 2 324.472 3.452 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423383499 434396192 /nfs/dbraw/zinc/39/61/92/434396192.db2.gz JLMBISQKYBETAC-VBSBHUPXSA-N 3 2 315.505 3.017 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423383499 434396198 /nfs/dbraw/zinc/39/61/98/434396198.db2.gz JLMBISQKYBETAC-VBSBHUPXSA-N 3 2 315.505 3.017 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748479 434396753 /nfs/dbraw/zinc/39/67/53/434396753.db2.gz PTOISGHOOIXXLL-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748479 434396761 /nfs/dbraw/zinc/39/67/61/434396761.db2.gz PTOISGHOOIXXLL-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748479 434396767 /nfs/dbraw/zinc/39/67/67/434396767.db2.gz PTOISGHOOIXXLL-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2OC)C[C@H]1C ZINC000353748479 434396773 /nfs/dbraw/zinc/39/67/73/434396773.db2.gz PTOISGHOOIXXLL-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423388909 434397108 /nfs/dbraw/zinc/39/71/08/434397108.db2.gz NDBLHUZOGBHOHZ-GUYCJALGSA-N 2 2 303.450 3.074 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@@H+]1Cc1ccccc1 ZINC000423399772 434401628 /nfs/dbraw/zinc/40/16/28/434401628.db2.gz UZXFXHPQMBPOPW-IIBYNOLFSA-N 3 2 321.468 3.042 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000423399772 434401632 /nfs/dbraw/zinc/40/16/32/434401632.db2.gz UZXFXHPQMBPOPW-IIBYNOLFSA-N 3 2 321.468 3.042 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751463 434405904 /nfs/dbraw/zinc/40/59/04/434405904.db2.gz PSEAAWJYWRBYPS-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751463 434405912 /nfs/dbraw/zinc/40/59/12/434405912.db2.gz PSEAAWJYWRBYPS-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751463 434405920 /nfs/dbraw/zinc/40/59/20/434405920.db2.gz PSEAAWJYWRBYPS-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OC)C[C@H]1C ZINC000353751463 434405928 /nfs/dbraw/zinc/40/59/28/434405928.db2.gz PSEAAWJYWRBYPS-GDBMZVCRSA-N 2 2 306.450 3.008 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC000423414807 434410208 /nfs/dbraw/zinc/41/02/08/434410208.db2.gz CNTHYYNYTZLKNJ-SFTDATJTSA-N 2 2 324.468 3.329 20 0 DGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423413039 434410549 /nfs/dbraw/zinc/41/05/49/434410549.db2.gz JHXZMINTSQYUOD-ZBFHGGJFSA-N 2 2 314.832 3.288 20 0 DGADLP COC[C@@]1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423415428 434412676 /nfs/dbraw/zinc/41/26/76/434412676.db2.gz OZGPHBMDNGNBQA-IRXDYDNUSA-N 2 2 308.853 3.076 20 0 DGADLP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000438116846 434415215 /nfs/dbraw/zinc/41/52/15/434415215.db2.gz KLLUYLAAXVYCTO-AWEZNQCLSA-N 2 2 316.474 3.056 20 0 DGADLP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000438116846 434415221 /nfs/dbraw/zinc/41/52/21/434415221.db2.gz KLLUYLAAXVYCTO-AWEZNQCLSA-N 2 2 316.474 3.056 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000423424973 434418588 /nfs/dbraw/zinc/41/85/88/434418588.db2.gz MALIPSMAMXDYHR-NHYWBVRUSA-N 2 2 317.260 3.413 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)sc2c1 ZINC000353771222 434419353 /nfs/dbraw/zinc/41/93/53/434419353.db2.gz AWEAYBWFXJZNFF-OLZOCXBDSA-N 2 2 319.474 3.267 20 0 DGADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000423430154 434420179 /nfs/dbraw/zinc/42/01/79/434420179.db2.gz PNWUPDNPIBNSAA-SUMWQHHRSA-N 2 2 311.385 3.201 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000423427236 434421742 /nfs/dbraw/zinc/42/17/42/434421742.db2.gz NNZFVGHLKPETLL-NHYWBVRUSA-N 2 2 317.260 3.413 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000395887141 434423423 /nfs/dbraw/zinc/42/34/23/434423423.db2.gz JONVUHUHUNHDMR-SOLBZPMBSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000395887141 434423430 /nfs/dbraw/zinc/42/34/30/434423430.db2.gz JONVUHUHUNHDMR-SOLBZPMBSA-N 2 2 310.445 3.038 20 0 DGADLP CC(C)c1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C(C)(C)C)[nH+]1 ZINC000450831670 434426875 /nfs/dbraw/zinc/42/68/75/434426875.db2.gz UNGNIEXPWDRONU-GOOCMWNKSA-N 2 2 316.493 3.357 20 0 DGADLP CC(C)c1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C(C)(C)C)[nH+]1 ZINC000450831670 434426885 /nfs/dbraw/zinc/42/68/85/434426885.db2.gz UNGNIEXPWDRONU-GOOCMWNKSA-N 2 2 316.493 3.357 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000348640782 434427258 /nfs/dbraw/zinc/42/72/58/434427258.db2.gz JSSBHIXSLUEMCI-RYRKJORJSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000348640782 434427264 /nfs/dbraw/zinc/42/72/64/434427264.db2.gz JSSBHIXSLUEMCI-RYRKJORJSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000450832287 434428059 /nfs/dbraw/zinc/42/80/59/434428059.db2.gz UNJUDBUNFFSBJZ-INMHGKMJSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000450832287 434428068 /nfs/dbraw/zinc/42/80/68/434428068.db2.gz UNJUDBUNFFSBJZ-INMHGKMJSA-N 2 2 323.431 3.317 20 0 DGADLP CSCC1CCC([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423445753 434430266 /nfs/dbraw/zinc/43/02/66/434430266.db2.gz YOVYJVILNZWQPS-PVARCSIZSA-N 2 2 304.503 3.385 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397298449 434432179 /nfs/dbraw/zinc/43/21/79/434432179.db2.gz CMDMBKWUSWQARK-LBTNJELSSA-N 2 2 318.461 3.093 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397298449 434432190 /nfs/dbraw/zinc/43/21/90/434432190.db2.gz CMDMBKWUSWQARK-LBTNJELSSA-N 2 2 318.461 3.093 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000397318596 434436941 /nfs/dbraw/zinc/43/69/41/434436941.db2.gz RVTQYUAQDWFZBH-OUAUKWLOSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Br)s2)C[C@H]1C[NH3+] ZINC000397318596 434436949 /nfs/dbraw/zinc/43/69/49/434436949.db2.gz RVTQYUAQDWFZBH-OUAUKWLOSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000353790928 434437576 /nfs/dbraw/zinc/43/75/76/434437576.db2.gz FWUSJLCLXHQEAF-CABCVRRESA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000353790928 434437590 /nfs/dbraw/zinc/43/75/90/434437590.db2.gz FWUSJLCLXHQEAF-CABCVRRESA-N 2 2 319.518 3.186 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498955 434458614 /nfs/dbraw/zinc/45/86/14/434458614.db2.gz BOGPLSLLOJDLTD-ZYSHUDEJSA-N 2 2 310.441 3.492 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C12CCCC2 ZINC000423509296 434464044 /nfs/dbraw/zinc/46/40/44/434464044.db2.gz JKHJHZBHCWSMIH-MANSERQUSA-N 2 2 314.473 3.069 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1Cl ZINC000423508252 434464494 /nfs/dbraw/zinc/46/44/94/434464494.db2.gz HWTNXEYHHZGRER-IUODEOHRSA-N 2 2 317.260 3.413 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000353832388 434467199 /nfs/dbraw/zinc/46/71/99/434467199.db2.gz QIYLWFSCHZRJHA-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000353832388 434467205 /nfs/dbraw/zinc/46/72/05/434467205.db2.gz QIYLWFSCHZRJHA-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000353832388 434467216 /nfs/dbraw/zinc/46/72/16/434467216.db2.gz QIYLWFSCHZRJHA-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000353832388 434467222 /nfs/dbraw/zinc/46/72/22/434467222.db2.gz QIYLWFSCHZRJHA-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423515137 434469174 /nfs/dbraw/zinc/46/91/74/434469174.db2.gz FLYLVERVOOWVAS-DOMZBBRYSA-N 2 2 317.260 3.413 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(C)CCCC3)c2cc1C ZINC000521228001 294864292 /nfs/dbraw/zinc/86/42/92/294864292.db2.gz FOTNKRJAIGDXRL-INIZCTEOSA-N 2 2 315.461 3.184 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353839191 434472958 /nfs/dbraw/zinc/47/29/58/434472958.db2.gz FMUVKTABUASETR-GOSISDBHSA-N 2 2 323.456 3.008 20 0 DGADLP Cc1ccc2[nH+]cc(CNc3ccccc3CC[NH+](C)C)n2c1 ZINC000438374747 434473012 /nfs/dbraw/zinc/47/30/12/434473012.db2.gz ISMKTMGGGVYICQ-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP CCn1c[nH+]cc1CN(CC[NH+](CC)CC)Cc1cccs1 ZINC000417680936 434499754 /nfs/dbraw/zinc/49/97/54/434499754.db2.gz IKCMWSPEGXCXOV-UHFFFAOYSA-N 2 2 320.506 3.309 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1F ZINC000423493944 434454742 /nfs/dbraw/zinc/45/47/42/434454742.db2.gz RKFZBHOVNRPEDK-XJKSGUPXSA-N 2 2 314.832 3.144 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncn1 ZINC000398137458 434455947 /nfs/dbraw/zinc/45/59/47/434455947.db2.gz LJSVTYGQZWCJBR-SOLBZPMBSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncn1 ZINC000398137458 434455961 /nfs/dbraw/zinc/45/59/61/434455961.db2.gz LJSVTYGQZWCJBR-SOLBZPMBSA-N 2 2 310.445 3.038 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398138245 434458079 /nfs/dbraw/zinc/45/80/79/434458079.db2.gz LOGAQNFZAICMIH-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398138245 434458090 /nfs/dbraw/zinc/45/80/90/434458090.db2.gz LOGAQNFZAICMIH-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(Br)c2)[C@H]1CC[NH3+] ZINC000404281269 434511998 /nfs/dbraw/zinc/51/19/98/434511998.db2.gz FFACZFDWQOMOHG-PWSUYJOCSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)[C@H]1CC[NH3+] ZINC000404281269 434512002 /nfs/dbraw/zinc/51/20/02/434512002.db2.gz FFACZFDWQOMOHG-PWSUYJOCSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)[C@@H]1CC[NH3+] ZINC000404347746 434512706 /nfs/dbraw/zinc/51/27/06/434512706.db2.gz HTUKDKNSVUMRCI-CZUORRHYSA-N 2 2 316.474 3.154 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)[C@@H]1CC[NH3+] ZINC000404347746 434512711 /nfs/dbraw/zinc/51/27/11/434512711.db2.gz HTUKDKNSVUMRCI-CZUORRHYSA-N 2 2 316.474 3.154 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2cnn(-c3ccccc3)c2)c[nH+]1 ZINC000353917606 434524026 /nfs/dbraw/zinc/52/40/26/434524026.db2.gz ROHOLWNYLCFTMY-UHFFFAOYSA-N 2 2 320.440 3.341 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1c(F)cccc1Br ZINC000353918924 434525151 /nfs/dbraw/zinc/52/51/51/434525151.db2.gz VRTFMSGMESTHBM-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1Br ZINC000353918924 434525162 /nfs/dbraw/zinc/52/51/62/434525162.db2.gz VRTFMSGMESTHBM-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000353927934 434531203 /nfs/dbraw/zinc/53/12/03/434531203.db2.gz JNBRWHLBATXBJU-AHRSYUTCSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000353927934 434531211 /nfs/dbraw/zinc/53/12/11/434531211.db2.gz JNBRWHLBATXBJU-AHRSYUTCSA-N 2 2 316.489 3.084 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000353931494 434533905 /nfs/dbraw/zinc/53/39/05/434533905.db2.gz QPPGTLOWGXZQTO-AAILRHKWSA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000353931494 434533913 /nfs/dbraw/zinc/53/39/13/434533913.db2.gz QPPGTLOWGXZQTO-AAILRHKWSA-N 2 2 324.509 3.208 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1COC(C)(C)C1)c1cccc(OC)c1 ZINC000417856810 434539175 /nfs/dbraw/zinc/53/91/75/434539175.db2.gz NGMNUXCPGXVVBS-AEFFLSMTSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1cccc(C)c1C[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC000348896343 434545957 /nfs/dbraw/zinc/54/59/57/434545957.db2.gz TZDNHZDCHWVCGY-UHFFFAOYSA-N 3 2 305.510 3.009 20 0 DGADLP Cc1nc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc[nH+]1 ZINC000360219664 434551178 /nfs/dbraw/zinc/55/11/78/434551178.db2.gz WGFLDMRPUAWAAD-UHFFFAOYSA-N 2 2 310.445 3.051 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000360232905 434556353 /nfs/dbraw/zinc/55/63/53/434556353.db2.gz DNOLTFQYIJTWGC-OAHLLOKOSA-N 2 2 312.413 3.198 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000360232905 434556357 /nfs/dbraw/zinc/55/63/57/434556357.db2.gz DNOLTFQYIJTWGC-OAHLLOKOSA-N 2 2 312.413 3.198 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986044 434559014 /nfs/dbraw/zinc/55/90/14/434559014.db2.gz GGFSBRONJVYSRT-GOEBONIOSA-N 2 2 319.424 3.063 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986044 434559019 /nfs/dbraw/zinc/55/90/19/434559019.db2.gz GGFSBRONJVYSRT-GOEBONIOSA-N 2 2 319.424 3.063 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)CC1 ZINC000360245984 434559323 /nfs/dbraw/zinc/55/93/23/434559323.db2.gz RMHWHVXQJYUAAS-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000525195949 295003134 /nfs/dbraw/zinc/00/31/34/295003134.db2.gz GLCYJHTULXRKJX-ZFWWWQNUSA-N 2 2 312.404 3.477 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(F)F)cc1C ZINC000525195949 295003135 /nfs/dbraw/zinc/00/31/35/295003135.db2.gz GLCYJHTULXRKJX-ZFWWWQNUSA-N 2 2 312.404 3.477 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000439137397 434569570 /nfs/dbraw/zinc/56/95/70/434569570.db2.gz SNHLXSXUFYHBIP-WBMJQRKESA-N 2 2 323.278 3.330 20 0 DGADLP Cc1ccc(Br)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000439137397 434569577 /nfs/dbraw/zinc/56/95/77/434569577.db2.gz SNHLXSXUFYHBIP-WBMJQRKESA-N 2 2 323.278 3.330 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378094 434571772 /nfs/dbraw/zinc/57/17/72/434571772.db2.gz PYMZTGSPZUGNHM-JKSUJKDBSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378094 434571778 /nfs/dbraw/zinc/57/17/78/434571778.db2.gz PYMZTGSPZUGNHM-JKSUJKDBSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000459378094 434571780 /nfs/dbraw/zinc/57/17/80/434571780.db2.gz PYMZTGSPZUGNHM-JKSUJKDBSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000459378094 434571789 /nfs/dbraw/zinc/57/17/89/434571789.db2.gz PYMZTGSPZUGNHM-JKSUJKDBSA-N 2 2 324.900 3.123 20 0 DGADLP Cc1cc(NC(=O)CC2(C[NH3+])CC2)ccc1Oc1cc[nH+]cc1 ZINC000423909123 434573525 /nfs/dbraw/zinc/57/35/25/434573525.db2.gz PSQOQOFWPFKASL-UHFFFAOYSA-N 2 2 311.385 3.250 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc(C)ccc1C ZINC000527819596 295136030 /nfs/dbraw/zinc/13/60/30/295136030.db2.gz JWGMBPLYKUFXTM-QGZVFWFLSA-N 2 2 300.450 3.344 20 0 DGADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000527890504 295145735 /nfs/dbraw/zinc/14/57/35/295145735.db2.gz ILXKJSVUBIXPMB-XHDPSFHLSA-N 2 2 305.784 3.268 20 0 DGADLP COc1ccc[nH+]c1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000527910017 295148772 /nfs/dbraw/zinc/14/87/72/295148772.db2.gz KOTGWEXPUOHZOZ-KRWDZBQOSA-N 2 2 311.429 3.049 20 0 DGADLP COc1ccc[nH+]c1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527910017 295148774 /nfs/dbraw/zinc/14/87/74/295148774.db2.gz KOTGWEXPUOHZOZ-KRWDZBQOSA-N 2 2 311.429 3.049 20 0 DGADLP COc1ccc[nH+]c1NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000527932230 295152773 /nfs/dbraw/zinc/15/27/73/295152773.db2.gz FOKHYARXZAVRHS-AWEZNQCLSA-N 2 2 312.417 3.123 20 0 DGADLP c1coc([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N2CCCCC2)c1 ZINC000459366655 434568871 /nfs/dbraw/zinc/56/88/71/434568871.db2.gz LHSPBPRUSNAGHZ-GOSISDBHSA-N 2 2 317.477 3.023 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000528008404 295165881 /nfs/dbraw/zinc/16/58/81/295165881.db2.gz DKKNRALHBCGCBG-LSDHHAIUSA-N 2 2 305.491 3.435 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000528008404 295165882 /nfs/dbraw/zinc/16/58/82/295165882.db2.gz DKKNRALHBCGCBG-LSDHHAIUSA-N 2 2 305.491 3.435 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423397734 295178437 /nfs/dbraw/zinc/17/84/37/295178437.db2.gz UXWBNVFGYZGJFY-CXAGYDPISA-N 2 2 306.450 3.133 20 0 DGADLP C/C(Cl)=C\C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000528347038 295201793 /nfs/dbraw/zinc/20/17/93/295201793.db2.gz BEZWSCUHRFUUTH-WLRTZDKTSA-N 2 2 308.857 3.173 20 0 DGADLP Clc1cccnc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424163 295211928 /nfs/dbraw/zinc/21/19/28/295211928.db2.gz KYCDAMASSBIMCJ-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424163 295211929 /nfs/dbraw/zinc/21/19/29/295211929.db2.gz KYCDAMASSBIMCJ-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424163 295211932 /nfs/dbraw/zinc/21/19/32/295211932.db2.gz KYCDAMASSBIMCJ-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528424163 295211935 /nfs/dbraw/zinc/21/19/35/295211935.db2.gz KYCDAMASSBIMCJ-DYVFJYSZSA-N 2 2 305.853 3.184 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528443029 295214578 /nfs/dbraw/zinc/21/45/78/295214578.db2.gz ZWUFPJHPYZTRAC-ZIAGYGMSSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528443029 295214579 /nfs/dbraw/zinc/21/45/79/295214579.db2.gz ZWUFPJHPYZTRAC-ZIAGYGMSSA-N 2 2 307.869 3.478 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286224736 295237889 /nfs/dbraw/zinc/23/78/89/295237889.db2.gz SNXMHZZBYKBXHX-RVSPLBMKSA-N 2 2 318.461 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286224736 295237891 /nfs/dbraw/zinc/23/78/91/295237891.db2.gz SNXMHZZBYKBXHX-RVSPLBMKSA-N 2 2 318.461 3.146 20 0 DGADLP COc1cccc2c(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc[nH+]c12 ZINC000193488317 295332583 /nfs/dbraw/zinc/33/25/83/295332583.db2.gz XXQANSQQFSCPCR-GDBMZVCRSA-N 2 2 311.429 3.164 20 0 DGADLP COc1cccc2c(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc[nH+]c12 ZINC000193488317 295332586 /nfs/dbraw/zinc/33/25/86/295332586.db2.gz XXQANSQQFSCPCR-GDBMZVCRSA-N 2 2 311.429 3.164 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1SC ZINC000459530369 434596239 /nfs/dbraw/zinc/59/62/39/434596239.db2.gz MFNTVFNCZBVWEJ-QRIFCXAISA-N 2 2 322.518 3.176 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354118068 434629199 /nfs/dbraw/zinc/62/91/99/434629199.db2.gz AQFBKRGETBRFJC-QGZVFWFLSA-N 2 2 320.525 3.419 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354118068 434629207 /nfs/dbraw/zinc/62/92/07/434629207.db2.gz AQFBKRGETBRFJC-QGZVFWFLSA-N 2 2 320.525 3.419 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000349196496 434633062 /nfs/dbraw/zinc/63/30/62/434633062.db2.gz VDQOGOSTJASDRV-LJQANCHMSA-N 2 2 318.424 3.472 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000349196496 434633069 /nfs/dbraw/zinc/63/30/69/434633069.db2.gz VDQOGOSTJASDRV-LJQANCHMSA-N 2 2 318.424 3.472 20 0 DGADLP CCC(CC)[C@H](CNCc1c[nH+]cn1C(C)C)[NH+]1CCCC1 ZINC000424139440 434633792 /nfs/dbraw/zinc/63/37/92/434633792.db2.gz VHBUXDZAKITAKS-SFHVURJKSA-N 2 2 306.498 3.454 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(OCC3CC3)nc2)c[nH+]1 ZINC000354148137 434641048 /nfs/dbraw/zinc/64/10/48/434641048.db2.gz WNZKIUWWHAKQPD-UHFFFAOYSA-N 2 2 311.429 3.296 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459555938 434607850 /nfs/dbraw/zinc/60/78/50/434607850.db2.gz GZPICZOWOWQMEP-UHFFFAOYSA-N 2 2 320.506 3.355 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000459555938 434607857 /nfs/dbraw/zinc/60/78/57/434607857.db2.gz GZPICZOWOWQMEP-UHFFFAOYSA-N 2 2 320.506 3.355 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)C[N@H+](Cc2ccccc2)C1 ZINC000439781386 434645092 /nfs/dbraw/zinc/64/50/92/434645092.db2.gz JOVMXDSXVYEYLQ-DABHTEOTSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)C[N@@H+](Cc2ccccc2)C1 ZINC000439781386 434645096 /nfs/dbraw/zinc/64/50/96/434645096.db2.gz JOVMXDSXVYEYLQ-DABHTEOTSA-N 2 2 314.473 3.054 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165799 434648100 /nfs/dbraw/zinc/64/81/00/434648100.db2.gz IANCJUHGYLCPAQ-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165799 434648107 /nfs/dbraw/zinc/64/81/07/434648107.db2.gz IANCJUHGYLCPAQ-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165799 434648110 /nfs/dbraw/zinc/64/81/10/434648110.db2.gz IANCJUHGYLCPAQ-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165799 434648114 /nfs/dbraw/zinc/64/81/14/434648114.db2.gz IANCJUHGYLCPAQ-QGZVFWFLSA-N 2 2 305.491 3.328 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167152 434648720 /nfs/dbraw/zinc/64/87/20/434648720.db2.gz OHOJQGZQTBHJLF-HCABJEFNSA-N 2 2 306.400 3.396 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167152 434648726 /nfs/dbraw/zinc/64/87/26/434648726.db2.gz OHOJQGZQTBHJLF-HCABJEFNSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167152 434648731 /nfs/dbraw/zinc/64/87/31/434648731.db2.gz OHOJQGZQTBHJLF-HCABJEFNSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000354167152 434648738 /nfs/dbraw/zinc/64/87/38/434648738.db2.gz OHOJQGZQTBHJLF-HCABJEFNSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000459654882 434649776 /nfs/dbraw/zinc/64/97/76/434649776.db2.gz GWNRAVQDOMAGAK-FUHWJXTLSA-N 2 2 311.404 3.335 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166443 434650563 /nfs/dbraw/zinc/65/05/63/434650563.db2.gz LCROEYAPHIZXLW-RDTXWAMCSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)sc2C1 ZINC000354166443 434650569 /nfs/dbraw/zinc/65/05/69/434650569.db2.gz LCROEYAPHIZXLW-RDTXWAMCSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)sc2C1 ZINC000354166443 434650575 /nfs/dbraw/zinc/65/05/75/434650575.db2.gz LCROEYAPHIZXLW-RDTXWAMCSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)sc2C1 ZINC000354166443 434650579 /nfs/dbraw/zinc/65/05/79/434650579.db2.gz LCROEYAPHIZXLW-RDTXWAMCSA-N 2 2 319.518 3.186 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000349318646 434670350 /nfs/dbraw/zinc/67/03/50/434670350.db2.gz CDMYSQQJTHCHOM-HKUYNNGSSA-N 2 2 316.489 3.381 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220399 434673309 /nfs/dbraw/zinc/67/33/09/434673309.db2.gz FNOSMMADESGPSO-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220399 434673317 /nfs/dbraw/zinc/67/33/17/434673317.db2.gz FNOSMMADESGPSO-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220399 434673323 /nfs/dbraw/zinc/67/33/23/434673323.db2.gz FNOSMMADESGPSO-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220399 434673329 /nfs/dbraw/zinc/67/33/29/434673329.db2.gz FNOSMMADESGPSO-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220401 434673569 /nfs/dbraw/zinc/67/35/69/434673569.db2.gz FNOSMMADESGPSO-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220401 434673574 /nfs/dbraw/zinc/67/35/74/434673574.db2.gz FNOSMMADESGPSO-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220401 434673580 /nfs/dbraw/zinc/67/35/80/434673580.db2.gz FNOSMMADESGPSO-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2C)C[C@H]1C ZINC000354220401 434673584 /nfs/dbraw/zinc/67/35/84/434673584.db2.gz FNOSMMADESGPSO-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224358 434678035 /nfs/dbraw/zinc/67/80/35/434678035.db2.gz NQEIBRJFOBPJGE-WBVHZDCISA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224358 434678041 /nfs/dbraw/zinc/67/80/41/434678041.db2.gz NQEIBRJFOBPJGE-WBVHZDCISA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224358 434678049 /nfs/dbraw/zinc/67/80/49/434678049.db2.gz NQEIBRJFOBPJGE-WBVHZDCISA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224358 434678054 /nfs/dbraw/zinc/67/80/54/434678054.db2.gz NQEIBRJFOBPJGE-WBVHZDCISA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285337 434678697 /nfs/dbraw/zinc/67/86/97/434678697.db2.gz DKUJTUQAVWUCHK-LWCVALJOSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424285337 434678704 /nfs/dbraw/zinc/67/87/04/434678704.db2.gz DKUJTUQAVWUCHK-LWCVALJOSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nc2ccccc2n1C(F)F ZINC000424289930 434680328 /nfs/dbraw/zinc/68/03/28/434680328.db2.gz CTSCJJRFDXBVBB-IJLUTSLNSA-N 2 2 308.376 3.352 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC)c1OC(C)C ZINC000349344055 434684780 /nfs/dbraw/zinc/68/47/80/434684780.db2.gz HBBRUGRWEHDCMT-UHFFFAOYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC)c1OC(C)C ZINC000349344055 434684782 /nfs/dbraw/zinc/68/47/82/434684782.db2.gz HBBRUGRWEHDCMT-UHFFFAOYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000459740866 434686850 /nfs/dbraw/zinc/68/68/50/434686850.db2.gz MSOMDKQCRNBRKX-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000459740866 434686855 /nfs/dbraw/zinc/68/68/55/434686855.db2.gz MSOMDKQCRNBRKX-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000459740868 434690974 /nfs/dbraw/zinc/69/09/74/434690974.db2.gz MSOMDKQCRNBRKX-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000459740868 434690978 /nfs/dbraw/zinc/69/09/78/434690978.db2.gz MSOMDKQCRNBRKX-LULLPPNCSA-N 2 2 302.462 3.054 20 0 DGADLP CCC1(c2ccccc2)C[NH+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000459776298 434716416 /nfs/dbraw/zinc/71/64/16/434716416.db2.gz VYUWZHZVIBWBJR-UHFFFAOYSA-N 2 2 315.486 3.368 20 0 DGADLP Cc1nc(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc[nH+]1 ZINC000360952379 434741347 /nfs/dbraw/zinc/74/13/47/434741347.db2.gz ZNSJSIQILXCOIR-IYBDPMFKSA-N 2 2 324.472 3.297 20 0 DGADLP Cc1nc(NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc[nH+]1 ZINC000360952379 434741353 /nfs/dbraw/zinc/74/13/53/434741353.db2.gz ZNSJSIQILXCOIR-IYBDPMFKSA-N 2 2 324.472 3.297 20 0 DGADLP COC(=O)c1cc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)oc1C ZINC000419298793 434767864 /nfs/dbraw/zinc/76/78/64/434767864.db2.gz XDMWSJDGTSPZRZ-LBPRGKRZSA-N 2 2 320.433 3.042 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000361026911 434770608 /nfs/dbraw/zinc/77/06/08/434770608.db2.gz UYCRNHNVJIJOAC-GWFLUQINSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000361026911 434770612 /nfs/dbraw/zinc/77/06/12/434770612.db2.gz UYCRNHNVJIJOAC-GWFLUQINSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc(C)c(OCCC[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000411430256 434778397 /nfs/dbraw/zinc/77/83/97/434778397.db2.gz VXGZJBBNPICTQT-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP Cc1ccc(C)c(OCCC[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000411430256 434778403 /nfs/dbraw/zinc/77/84/03/434778403.db2.gz VXGZJBBNPICTQT-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453059272 434786747 /nfs/dbraw/zinc/78/67/47/434786747.db2.gz PYSLAHGZAUZWCG-ZQIUZPCESA-N 2 2 307.401 3.425 20 0 DGADLP CC1CCC(O)(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000361076279 434789232 /nfs/dbraw/zinc/78/92/32/434789232.db2.gz XCODBWWMVRCTNP-UHFFFAOYSA-N 2 2 319.493 3.317 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1=O ZINC000411564900 434801624 /nfs/dbraw/zinc/80/16/24/434801624.db2.gz WOLKUGDOHYFRJV-MRXNPFEDSA-N 2 2 300.446 3.083 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1=O ZINC000411564900 434801632 /nfs/dbraw/zinc/80/16/32/434801632.db2.gz WOLKUGDOHYFRJV-MRXNPFEDSA-N 2 2 300.446 3.083 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000361094180 434795156 /nfs/dbraw/zinc/79/51/56/434795156.db2.gz BILSFYIYXBDFOE-MRXNPFEDSA-N 2 2 303.475 3.369 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000361094180 434795164 /nfs/dbraw/zinc/79/51/64/434795164.db2.gz BILSFYIYXBDFOE-MRXNPFEDSA-N 2 2 303.475 3.369 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000453080201 434795783 /nfs/dbraw/zinc/79/57/83/434795783.db2.gz DWWVRZKYTLDGLH-RTBURBONSA-N 2 2 314.477 3.109 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000453130006 434811960 /nfs/dbraw/zinc/81/19/60/434811960.db2.gz OCSKLJULSWOOHE-IXDOHACOSA-N 2 2 306.498 3.454 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411657148 434812704 /nfs/dbraw/zinc/81/27/04/434812704.db2.gz FTKSXZMAQYLJBR-UHFFFAOYSA-N 2 2 313.445 3.287 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411674042 434814455 /nfs/dbraw/zinc/81/44/55/434814455.db2.gz UKYSEGHLDORYJS-ROUUACIJSA-N 2 2 311.404 3.207 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453224126 434832508 /nfs/dbraw/zinc/83/25/08/434832508.db2.gz RTCGMGQOEMHJNQ-WMZOPIPTSA-N 2 2 312.461 3.076 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224126 434832510 /nfs/dbraw/zinc/83/25/10/434832510.db2.gz RTCGMGQOEMHJNQ-WMZOPIPTSA-N 2 2 312.461 3.076 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247181 434840847 /nfs/dbraw/zinc/84/08/47/434840847.db2.gz DNCKMHDQSIIGPS-JXFKEZNVSA-N 2 2 316.489 3.063 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247181 434840849 /nfs/dbraw/zinc/84/08/49/434840849.db2.gz DNCKMHDQSIIGPS-JXFKEZNVSA-N 2 2 316.489 3.063 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccs1 ZINC000453250414 434840995 /nfs/dbraw/zinc/84/09/95/434840995.db2.gz ADQFWNDKZPPRJY-HZPDHXFCSA-N 2 2 310.507 3.272 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccs1 ZINC000453250414 434840998 /nfs/dbraw/zinc/84/09/98/434840998.db2.gz ADQFWNDKZPPRJY-HZPDHXFCSA-N 2 2 310.507 3.272 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248834 434841108 /nfs/dbraw/zinc/84/11/08/434841108.db2.gz FWYZMURDVKORHT-OXQOHEQNSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248834 434841111 /nfs/dbraw/zinc/84/11/11/434841111.db2.gz FWYZMURDVKORHT-OXQOHEQNSA-N 2 2 312.457 3.337 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453263389 434844301 /nfs/dbraw/zinc/84/43/01/434844301.db2.gz TYVIENUBUAXLTI-OALUTQOASA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453263389 434844303 /nfs/dbraw/zinc/84/43/03/434844303.db2.gz TYVIENUBUAXLTI-OALUTQOASA-N 2 2 304.478 3.137 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265844 434845035 /nfs/dbraw/zinc/84/50/35/434845035.db2.gz WWEUSBQKQFBKCV-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(Cl)c1 ZINC000453265844 434845037 /nfs/dbraw/zinc/84/50/37/434845037.db2.gz WWEUSBQKQFBKCV-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268040 434845369 /nfs/dbraw/zinc/84/53/69/434845369.db2.gz PSVMZJFWFZGPDQ-ZWKOTPCHSA-N 2 2 324.896 3.474 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268040 434845374 /nfs/dbraw/zinc/84/53/74/434845374.db2.gz PSVMZJFWFZGPDQ-ZWKOTPCHSA-N 2 2 324.896 3.474 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453265776 434845547 /nfs/dbraw/zinc/84/55/47/434845547.db2.gz WTSNIEFSPYGILV-QFBILLFUSA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453265776 434845548 /nfs/dbraw/zinc/84/55/48/434845548.db2.gz WTSNIEFSPYGILV-QFBILLFUSA-N 2 2 304.478 3.307 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694377 434847266 /nfs/dbraw/zinc/84/72/66/434847266.db2.gz NUGGTBDZUMHGTN-PKOBYXMFSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000372694377 434847267 /nfs/dbraw/zinc/84/72/67/434847267.db2.gz NUGGTBDZUMHGTN-PKOBYXMFSA-N 2 2 316.489 3.354 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000637885532 434899312 /nfs/dbraw/zinc/89/93/12/434899312.db2.gz BAMYBGKSRQJAFX-UHFFFAOYSA-N 2 2 319.399 3.429 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000637885532 434899317 /nfs/dbraw/zinc/89/93/17/434899317.db2.gz BAMYBGKSRQJAFX-UHFFFAOYSA-N 2 2 319.399 3.429 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000462964484 434938650 /nfs/dbraw/zinc/93/86/50/434938650.db2.gz JHMONAQMQAWTKE-YWPYICTPSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000462964484 434938655 /nfs/dbraw/zinc/93/86/55/434938655.db2.gz JHMONAQMQAWTKE-YWPYICTPSA-N 2 2 308.372 3.005 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@H+](C)CCO)CC2)c(C)c1 ZINC000638047034 434939955 /nfs/dbraw/zinc/93/99/55/434939955.db2.gz KZAYSWNOGCOPAX-WAYWQWQTSA-N 2 2 316.489 3.014 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@@H+](C)CCO)CC2)c(C)c1 ZINC000638047034 434939959 /nfs/dbraw/zinc/93/99/59/434939959.db2.gz KZAYSWNOGCOPAX-WAYWQWQTSA-N 2 2 316.489 3.014 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000554724692 434945135 /nfs/dbraw/zinc/94/51/35/434945135.db2.gz SFQPWZJLLWWHSR-WBMJQRKESA-N 2 2 323.278 3.368 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000554724692 434945139 /nfs/dbraw/zinc/94/51/39/434945139.db2.gz SFQPWZJLLWWHSR-WBMJQRKESA-N 2 2 323.278 3.368 20 0 DGADLP Cc1[nH+]cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1C ZINC000574055120 434946962 /nfs/dbraw/zinc/94/69/62/434946962.db2.gz QZEFDJYWQPTEJT-UHFFFAOYSA-N 2 2 319.412 3.256 20 0 DGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1ccc3c(n1)CCC3)C2 ZINC000574135861 434953701 /nfs/dbraw/zinc/95/37/01/434953701.db2.gz NZJUTHFYSMTWQA-UHFFFAOYSA-N 2 2 321.468 3.108 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110264 434956375 /nfs/dbraw/zinc/95/63/75/434956375.db2.gz KFUPCBZUWNDRRI-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110264 434956379 /nfs/dbraw/zinc/95/63/79/434956379.db2.gz KFUPCBZUWNDRRI-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110264 434956380 /nfs/dbraw/zinc/95/63/80/434956380.db2.gz KFUPCBZUWNDRRI-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@@H]1C ZINC000638110264 434956384 /nfs/dbraw/zinc/95/63/84/434956384.db2.gz KFUPCBZUWNDRRI-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)[NH2+]CC)c1 ZINC000638127154 434960884 /nfs/dbraw/zinc/96/08/84/434960884.db2.gz GOQCFWWZWDFPSE-CQSZACIVSA-N 2 2 314.433 3.287 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000574318151 434968635 /nfs/dbraw/zinc/96/86/35/434968635.db2.gz SCWHVMPMSGTTMQ-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccccc2F)s1 ZINC000492376119 434971156 /nfs/dbraw/zinc/97/11/56/434971156.db2.gz LJTNGZVZQXWCEC-UHFFFAOYSA-N 2 2 307.438 3.369 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+]CCC[C@@H]3CCO3)c(C)c2)CC1 ZINC000638186553 434974953 /nfs/dbraw/zinc/97/49/53/434974953.db2.gz WNWIQPFXURYIDF-GOSISDBHSA-N 2 2 317.477 3.118 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(F)c3N)C2)CC1 ZINC000637976978 434921997 /nfs/dbraw/zinc/92/19/97/434921997.db2.gz FZAYDHBJLNGTNP-INIZCTEOSA-N 2 2 319.468 3.352 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3N)C2)CC1 ZINC000637976978 434922001 /nfs/dbraw/zinc/92/20/01/434922001.db2.gz FZAYDHBJLNGTNP-INIZCTEOSA-N 2 2 319.468 3.352 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000554402873 434927326 /nfs/dbraw/zinc/92/73/26/434927326.db2.gz CURVJETWHQMAPS-NXWXRZEISA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000554402873 434927329 /nfs/dbraw/zinc/92/73/29/434927329.db2.gz CURVJETWHQMAPS-NXWXRZEISA-N 2 2 302.462 3.105 20 0 DGADLP Cc1cccn2c(C[NH2+]CC3(O)CCC(C)(C)CC3)c[nH+]c12 ZINC000573816375 434927489 /nfs/dbraw/zinc/92/74/89/434927489.db2.gz DCOTVPWJJQMNLZ-UHFFFAOYSA-N 2 2 301.434 3.064 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638370629 435016578 /nfs/dbraw/zinc/01/65/78/435016578.db2.gz DKWRJBYNVPBLCI-GASCZTMLSA-N 2 2 301.434 3.285 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638370629 435016583 /nfs/dbraw/zinc/01/65/83/435016583.db2.gz DKWRJBYNVPBLCI-GASCZTMLSA-N 2 2 301.434 3.285 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CS1 ZINC000638385988 435019285 /nfs/dbraw/zinc/01/92/85/435019285.db2.gz NFFIHADTVYYQNO-GUYCJALGSA-N 2 2 308.466 3.274 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC000638385000 435019453 /nfs/dbraw/zinc/01/94/53/435019453.db2.gz HSEKDDJPZPGKFT-UHFFFAOYSA-N 2 2 320.452 3.196 20 0 DGADLP c1cn(Cc2ccc(NCc3ccnc4ccccc34)[nH+]c2)c[nH+]1 ZINC000556810039 435027112 /nfs/dbraw/zinc/02/71/12/435027112.db2.gz DWUWIJXMCPWMRO-UHFFFAOYSA-N 2 2 315.380 3.487 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000555524933 434977303 /nfs/dbraw/zinc/97/73/03/434977303.db2.gz UKORPIZGMCBUID-ROUUACIJSA-N 2 2 324.509 3.354 20 0 DGADLP COc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)[NH+]2CCCC2)cc1 ZINC000638283772 434995598 /nfs/dbraw/zinc/99/55/98/434995598.db2.gz ZZHWMBXWJODVRQ-XYPHTWIQSA-N 2 2 324.415 3.465 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(CO)cc1 ZINC000638298390 435000710 /nfs/dbraw/zinc/00/07/10/435000710.db2.gz OXKCZBVHQRCEAV-UHFFFAOYSA-N 2 2 309.413 3.017 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc2ccccc2o1 ZINC000638314283 435002833 /nfs/dbraw/zinc/00/28/33/435002833.db2.gz AQKANFMFWMNVQX-CQSZACIVSA-N 2 2 316.445 3.319 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638320405 435005158 /nfs/dbraw/zinc/00/51/58/435005158.db2.gz KRWZMJNSVRIQRU-UHFFFAOYSA-N 2 2 319.399 3.475 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000638333051 435007282 /nfs/dbraw/zinc/00/72/82/435007282.db2.gz NNQMXXAGQIVDHM-IAOVAPTHSA-N 2 2 308.416 3.457 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000638333051 435007288 /nfs/dbraw/zinc/00/72/88/435007288.db2.gz NNQMXXAGQIVDHM-IAOVAPTHSA-N 2 2 308.416 3.457 20 0 DGADLP Fc1ccc2nc(C[NH2+]Cc3c[nH+]c4n3CCCC4)sc2c1 ZINC000556410953 435007738 /nfs/dbraw/zinc/00/77/38/435007738.db2.gz ZZFCHMCSJQPJPW-UHFFFAOYSA-N 2 2 316.405 3.258 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000638676700 435067821 /nfs/dbraw/zinc/06/78/21/435067821.db2.gz PZFDVKYDSRNRAH-QFBILLFUSA-N 2 2 310.445 3.176 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000638676700 435067824 /nfs/dbraw/zinc/06/78/24/435067824.db2.gz PZFDVKYDSRNRAH-QFBILLFUSA-N 2 2 310.445 3.176 20 0 DGADLP COc1cc2c(cc1C[NH2+]CCc1cc[nH+]cc1C)O[C@H](C)C2 ZINC000557865487 435070768 /nfs/dbraw/zinc/07/07/68/435070768.db2.gz FXWBWUNHBKCSSZ-CQSZACIVSA-N 2 2 312.413 3.054 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CC1CCSCC1)c1ccccc1 ZINC000638698225 435071903 /nfs/dbraw/zinc/07/19/03/435071903.db2.gz ITOKQVHVHBTJDZ-QGZVFWFLSA-N 2 2 315.486 3.437 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000638700385 435073199 /nfs/dbraw/zinc/07/31/99/435073199.db2.gz QORONJZMIGVOPZ-KBMXLJTQSA-N 2 2 301.459 3.188 20 0 DGADLP COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)sn1 ZINC000638720069 435076043 /nfs/dbraw/zinc/07/60/43/435076043.db2.gz HMFBOZIXISQUKE-UHFFFAOYSA-N 2 2 309.479 3.038 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCC[C@H]2CCO2)c(C)c1 ZINC000638779660 435087705 /nfs/dbraw/zinc/08/77/05/435087705.db2.gz KUWVBORJJJHEST-PKOBYXMFSA-N 2 2 313.445 3.400 20 0 DGADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000638778425 435088465 /nfs/dbraw/zinc/08/84/65/435088465.db2.gz FLBHXOCOUZLBJN-OALUTQOASA-N 2 2 313.445 3.256 20 0 DGADLP CC[C@](C)(C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)OC ZINC000638788802 435090114 /nfs/dbraw/zinc/09/01/14/435090114.db2.gz WXTDLCKHNFUQLQ-MAUKXSAKSA-N 2 2 305.466 3.012 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000638564642 435053356 /nfs/dbraw/zinc/05/33/56/435053356.db2.gz MARWFLOGLAAEHQ-ZJZKXORJSA-N 2 2 302.462 3.227 20 0 DGADLP CCOC1CC(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000638564642 435053359 /nfs/dbraw/zinc/05/33/59/435053359.db2.gz MARWFLOGLAAEHQ-ZJZKXORJSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000638581939 435054903 /nfs/dbraw/zinc/05/49/03/435054903.db2.gz HVSFBGYONNHNLR-RBUKOAKNSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000638581939 435054907 /nfs/dbraw/zinc/05/49/07/435054907.db2.gz HVSFBGYONNHNLR-RBUKOAKNSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000532194939 435146689 /nfs/dbraw/zinc/14/66/89/435146689.db2.gz KCFIXAYXZRPWSD-INIZCTEOSA-N 2 2 309.417 3.200 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000558471942 435093282 /nfs/dbraw/zinc/09/32/82/435093282.db2.gz AMTYLDADLQQTHP-UXPWSPDFSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000558471942 435093287 /nfs/dbraw/zinc/09/32/87/435093287.db2.gz AMTYLDADLQQTHP-UXPWSPDFSA-N 2 2 316.489 3.444 20 0 DGADLP COc1ccc([C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000578617347 435096923 /nfs/dbraw/zinc/09/69/23/435096923.db2.gz DUFMFTNSAGNLTF-QAMTZSDWSA-N 2 2 318.461 3.034 20 0 DGADLP Cn1c(CCC[NH2+]Cc2cc(C3CC3)no2)[nH+]c2ccccc21 ZINC000638870657 435108723 /nfs/dbraw/zinc/10/87/23/435108723.db2.gz FEIFYLFZMMWBFT-UHFFFAOYSA-N 2 2 310.401 3.161 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732020 435115121 /nfs/dbraw/zinc/11/51/21/435115121.db2.gz NGGDBZJOYSCCOF-FOIQADDNSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732020 435115125 /nfs/dbraw/zinc/11/51/25/435115125.db2.gz NGGDBZJOYSCCOF-FOIQADDNSA-N 2 2 313.489 3.318 20 0 DGADLP c1nc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccccc2)o1 ZINC000531736743 435115733 /nfs/dbraw/zinc/11/57/33/435115733.db2.gz UJBALCSPRTWNJL-UHFFFAOYSA-N 2 2 311.429 3.306 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C1CCCCC1 ZINC000559145241 435123225 /nfs/dbraw/zinc/12/32/25/435123225.db2.gz GGMRXAAVKJZTTP-HBFSDRIKSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C1CCCCC1 ZINC000559145241 435123230 /nfs/dbraw/zinc/12/32/30/435123230.db2.gz GGMRXAAVKJZTTP-HBFSDRIKSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969756 435123909 /nfs/dbraw/zinc/12/39/09/435123909.db2.gz ICOXGVNBVSJCFN-YXJHDRRASA-N 2 2 316.493 3.114 20 0 DGADLP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969756 435123911 /nfs/dbraw/zinc/12/39/11/435123911.db2.gz ICOXGVNBVSJCFN-YXJHDRRASA-N 2 2 316.493 3.114 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]CCC1CCOCC1)[NH+](C)C ZINC000639089293 435150143 /nfs/dbraw/zinc/15/01/43/435150143.db2.gz AMCNOYOLDMMCCK-VQIMIIECSA-N 2 2 304.478 3.393 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)[C@@H](c2[nH+]ccn2C)C2CC2)c1C ZINC000639042472 435132749 /nfs/dbraw/zinc/13/27/49/435132749.db2.gz WUFPPGPLDBBMRH-MRXNPFEDSA-N 2 2 314.433 3.024 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000559636972 435137466 /nfs/dbraw/zinc/13/74/66/435137466.db2.gz SERVGPGVKJQTPB-AWEZNQCLSA-N 2 2 318.852 3.056 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000559636972 435137470 /nfs/dbraw/zinc/13/74/70/435137470.db2.gz SERVGPGVKJQTPB-AWEZNQCLSA-N 2 2 318.852 3.056 20 0 DGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060885 435144317 /nfs/dbraw/zinc/14/43/17/435144317.db2.gz SAAUKVASQYCPQA-PSBWJHGTSA-N 2 2 306.494 3.188 20 0 DGADLP C1CCC([N@H+]2CC[C@@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)C1 ZINC000474060885 435144319 /nfs/dbraw/zinc/14/43/19/435144319.db2.gz SAAUKVASQYCPQA-PSBWJHGTSA-N 2 2 306.494 3.188 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(CO)cc2)CC1 ZINC000639179513 435186434 /nfs/dbraw/zinc/18/64/34/435186434.db2.gz SMCBISGKSWGWBE-UHFFFAOYSA-N 2 2 324.468 3.275 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(CO)cc2)CC1 ZINC000639179513 435186436 /nfs/dbraw/zinc/18/64/36/435186436.db2.gz SMCBISGKSWGWBE-UHFFFAOYSA-N 2 2 324.468 3.275 20 0 DGADLP CC[C@@H](C)[C@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180051 435187696 /nfs/dbraw/zinc/18/76/96/435187696.db2.gz XEXVCGUYASCOIS-QAPCUYQASA-N 2 2 308.466 3.237 20 0 DGADLP CC[C@@H](C)[C@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180051 435187700 /nfs/dbraw/zinc/18/77/00/435187700.db2.gz XEXVCGUYASCOIS-QAPCUYQASA-N 2 2 308.466 3.237 20 0 DGADLP CC[C@H](C[NH2+]CC(C)(C)COC)[N@@H+]1CCc2ccccc2C1 ZINC000494357742 435195694 /nfs/dbraw/zinc/19/56/94/435195694.db2.gz QXWNELQPDUXLHP-GOSISDBHSA-N 2 2 304.478 3.086 20 0 DGADLP CC[C@H](C[NH2+]CC(C)(C)COC)[N@H+]1CCc2ccccc2C1 ZINC000494357742 435195697 /nfs/dbraw/zinc/19/56/97/435195697.db2.gz QXWNELQPDUXLHP-GOSISDBHSA-N 2 2 304.478 3.086 20 0 DGADLP C[C@H](C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000494920787 435199061 /nfs/dbraw/zinc/19/90/61/435199061.db2.gz HUPZIHFAGLOTNS-WBVHZDCISA-N 2 2 319.497 3.138 20 0 DGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(C3CC3)ccc2F)CC1 ZINC000639217188 435201779 /nfs/dbraw/zinc/20/17/79/435201779.db2.gz QQPYXBIGQALMHA-UHFFFAOYSA-N 2 2 320.452 3.028 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988284 435203857 /nfs/dbraw/zinc/20/38/57/435203857.db2.gz WGKCCEGZLNQVEG-LPHOPBHVSA-N 2 2 324.472 3.448 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988284 435203860 /nfs/dbraw/zinc/20/38/60/435203860.db2.gz WGKCCEGZLNQVEG-LPHOPBHVSA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988284 435203863 /nfs/dbraw/zinc/20/38/63/435203863.db2.gz WGKCCEGZLNQVEG-LPHOPBHVSA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988284 435203865 /nfs/dbraw/zinc/20/38/65/435203865.db2.gz WGKCCEGZLNQVEG-LPHOPBHVSA-N 2 2 324.472 3.448 20 0 DGADLP CC1=C(C)C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000560194139 435153450 /nfs/dbraw/zinc/15/34/50/435153450.db2.gz AWCZSJDHSNZOIN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP CC1=C(C)C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000560194139 435153455 /nfs/dbraw/zinc/15/34/55/435153455.db2.gz AWCZSJDHSNZOIN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP CC1=C(C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560194139 435153460 /nfs/dbraw/zinc/15/34/60/435153460.db2.gz AWCZSJDHSNZOIN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP CC1=C(C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560194139 435153464 /nfs/dbraw/zinc/15/34/64/435153464.db2.gz AWCZSJDHSNZOIN-FQEVSTJZSA-N 2 2 314.473 3.320 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000579473735 435157119 /nfs/dbraw/zinc/15/71/19/435157119.db2.gz JKKWNBYPIARGJM-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000579473735 435157127 /nfs/dbraw/zinc/15/71/27/435157127.db2.gz JKKWNBYPIARGJM-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000560258300 435158621 /nfs/dbraw/zinc/15/86/21/435158621.db2.gz VNJUKBXAKFQRNQ-LSDHHAIUSA-N 2 2 300.368 3.493 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1)[NH+](C)C ZINC000475090169 435176707 /nfs/dbraw/zinc/17/67/07/435176707.db2.gz FYKYEWYHVLSTEB-NTDBWNAOSA-N 2 2 304.478 3.391 20 0 DGADLP CC[C@H](C)[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155488 435177255 /nfs/dbraw/zinc/17/72/55/435177255.db2.gz QKKLGFGMZZTTRJ-XYJFISCASA-N 2 2 319.493 3.460 20 0 DGADLP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155488 435177258 /nfs/dbraw/zinc/17/72/58/435177258.db2.gz QKKLGFGMZZTTRJ-XYJFISCASA-N 2 2 319.493 3.460 20 0 DGADLP Cc1ncc([C@@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)c(C)n1 ZINC000639166489 435180457 /nfs/dbraw/zinc/18/04/57/435180457.db2.gz LOGYQHGFDCLXFL-OAHLLOKOSA-N 2 2 316.449 3.201 20 0 DGADLP Cc1ncc([C@@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)c(C)n1 ZINC000639166489 435180461 /nfs/dbraw/zinc/18/04/61/435180461.db2.gz LOGYQHGFDCLXFL-OAHLLOKOSA-N 2 2 316.449 3.201 20 0 DGADLP Cc1ncc([C@@H](C)[NH+](C)CCC[N@H+](C)Cc2ccco2)c(C)n1 ZINC000639166489 435180465 /nfs/dbraw/zinc/18/04/65/435180465.db2.gz LOGYQHGFDCLXFL-OAHLLOKOSA-N 2 2 316.449 3.201 20 0 DGADLP Cc1ncc([C@@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)c(C)n1 ZINC000639166489 435180470 /nfs/dbraw/zinc/18/04/70/435180470.db2.gz LOGYQHGFDCLXFL-OAHLLOKOSA-N 2 2 316.449 3.201 20 0 DGADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(OC(F)F)cc1C ZINC000580363918 435226301 /nfs/dbraw/zinc/22/63/01/435226301.db2.gz TZOFSLGHJRQDSF-UHFFFAOYSA-N 2 2 300.393 3.288 20 0 DGADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(OC(F)F)cc1C ZINC000580363918 435226305 /nfs/dbraw/zinc/22/63/05/435226305.db2.gz TZOFSLGHJRQDSF-UHFFFAOYSA-N 2 2 300.393 3.288 20 0 DGADLP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475667431 435208116 /nfs/dbraw/zinc/20/81/16/435208116.db2.gz GOBNNAJWUJXVHW-RBUKOAKNSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475667431 435208120 /nfs/dbraw/zinc/20/81/20/435208120.db2.gz GOBNNAJWUJXVHW-RBUKOAKNSA-N 2 2 318.505 3.428 20 0 DGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000639311217 435238658 /nfs/dbraw/zinc/23/86/58/435238658.db2.gz VOENADWYKMRQST-HKUYNNGSSA-N 2 2 324.472 3.254 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000639330061 435246490 /nfs/dbraw/zinc/24/64/90/435246490.db2.gz QLZUQLYXASDOFL-GYSYKLTISA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000639330061 435246493 /nfs/dbraw/zinc/24/64/93/435246493.db2.gz QLZUQLYXASDOFL-GYSYKLTISA-N 2 2 317.260 3.099 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255887 /nfs/dbraw/zinc/25/58/87/435255887.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255891 /nfs/dbraw/zinc/25/58/91/435255891.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255895 /nfs/dbraw/zinc/25/58/95/435255895.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922197 435255900 /nfs/dbraw/zinc/25/59/00/435255900.db2.gz BLWIAMNROZCQOB-MISYRCLQSA-N 3 2 315.505 3.143 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C(F)(F)F ZINC000583872204 435252566 /nfs/dbraw/zinc/25/25/66/435252566.db2.gz SLXHHYOLKLZPKP-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C(F)(F)F ZINC000583872204 435252569 /nfs/dbraw/zinc/25/25/69/435252569.db2.gz SLXHHYOLKLZPKP-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065890 435265199 /nfs/dbraw/zinc/26/51/99/435265199.db2.gz HOBSGZJHDRQDSO-PXNSSMCTSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065890 435265205 /nfs/dbraw/zinc/26/52/05/435265205.db2.gz HOBSGZJHDRQDSO-PXNSSMCTSA-N 2 2 310.441 3.293 20 0 DGADLP COc1ccc(OCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000639374090 435271862 /nfs/dbraw/zinc/27/18/62/435271862.db2.gz AELDVSYHPGTFBE-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP CCCn1nc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC000639375081 435272745 /nfs/dbraw/zinc/27/27/45/435272745.db2.gz PZKJRXYHYWGNEA-UHFFFAOYSA-N 2 2 318.509 3.360 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1OC ZINC000639378563 435274803 /nfs/dbraw/zinc/27/48/03/435274803.db2.gz IMXBFFBNKQXQHB-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CC(C)[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000584107137 435275026 /nfs/dbraw/zinc/27/50/26/435275026.db2.gz DHXINSXYEYDNFP-MRXNPFEDSA-N 2 2 320.868 3.141 20 0 DGADLP FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000639387746 435282950 /nfs/dbraw/zinc/28/29/50/435282950.db2.gz BHDZTQIBRJQMGX-GFCCVEGCSA-N 2 2 310.323 3.042 20 0 DGADLP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000639387746 435282955 /nfs/dbraw/zinc/28/29/55/435282955.db2.gz BHDZTQIBRJQMGX-GFCCVEGCSA-N 2 2 310.323 3.042 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000643252849 435284655 /nfs/dbraw/zinc/28/46/55/435284655.db2.gz NARRGOHSRMKJFD-UHFFFAOYSA-N 2 2 314.473 3.141 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000648400644 435287517 /nfs/dbraw/zinc/28/75/17/435287517.db2.gz AIITWXUJXRVSEW-QRVBRYPASA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000648435720 435298780 /nfs/dbraw/zinc/29/87/80/435298780.db2.gz QNBYGAVQTWZUKY-LSDHHAIUSA-N 2 2 303.381 3.059 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000567286237 435305574 /nfs/dbraw/zinc/30/55/74/435305574.db2.gz FVZNXOWGSXRXCK-DLBZAZTESA-N 2 2 301.478 3.436 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000567286237 435305576 /nfs/dbraw/zinc/30/55/76/435305576.db2.gz FVZNXOWGSXRXCK-DLBZAZTESA-N 2 2 301.478 3.436 20 0 DGADLP CCc1nc(C(C)C)ccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000567286237 435305578 /nfs/dbraw/zinc/30/55/78/435305578.db2.gz FVZNXOWGSXRXCK-DLBZAZTESA-N 2 2 301.478 3.436 20 0 DGADLP CCc1nc(C(C)C)ccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000567286237 435305580 /nfs/dbraw/zinc/30/55/80/435305580.db2.gz FVZNXOWGSXRXCK-DLBZAZTESA-N 2 2 301.478 3.436 20 0 DGADLP Cc1cnccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000648462514 435307655 /nfs/dbraw/zinc/30/76/55/435307655.db2.gz CDPVTTCKBTYYTI-SFHVURJKSA-N 2 2 306.413 3.197 20 0 DGADLP C[NH2+]C1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC1 ZINC000643053443 435264181 /nfs/dbraw/zinc/26/41/81/435264181.db2.gz CXRIFXYEYYVDJL-UHFFFAOYSA-N 2 2 304.482 3.260 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000648498649 435321905 /nfs/dbraw/zinc/32/19/05/435321905.db2.gz FEWMTOXDODGNDR-HUUCEWRRSA-N 2 2 301.434 3.053 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506029 435323353 /nfs/dbraw/zinc/32/33/53/435323353.db2.gz BSTWWDWFTIAYNI-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506029 435323355 /nfs/dbraw/zinc/32/33/55/435323355.db2.gz BSTWWDWFTIAYNI-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506029 435323358 /nfs/dbraw/zinc/32/33/58/435323358.db2.gz BSTWWDWFTIAYNI-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506029 435323360 /nfs/dbraw/zinc/32/33/60/435323360.db2.gz BSTWWDWFTIAYNI-XHDPSFHLSA-N 2 2 305.809 3.007 20 0 DGADLP COc1cc(F)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000567507734 435324624 /nfs/dbraw/zinc/32/46/24/435324624.db2.gz NVVCMSUHPZTDOL-UHFFFAOYSA-N 2 2 324.440 3.148 20 0 DGADLP COc1cc(F)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000567507734 435324629 /nfs/dbraw/zinc/32/46/29/435324629.db2.gz NVVCMSUHPZTDOL-UHFFFAOYSA-N 2 2 324.440 3.148 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000511649131 435327733 /nfs/dbraw/zinc/32/77/33/435327733.db2.gz OSGSBMAQZJLJHW-GRTCIODHSA-N 2 2 314.473 3.309 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000511649131 435327738 /nfs/dbraw/zinc/32/77/38/435327738.db2.gz OSGSBMAQZJLJHW-GRTCIODHSA-N 2 2 314.473 3.309 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000535315195 435328216 /nfs/dbraw/zinc/32/82/16/435328216.db2.gz XNJGRKQLBMYTNJ-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000535315195 435328220 /nfs/dbraw/zinc/32/82/20/435328220.db2.gz XNJGRKQLBMYTNJ-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000511649133 435328600 /nfs/dbraw/zinc/32/86/00/435328600.db2.gz OSGSBMAQZJLJHW-HJGMHAGASA-N 2 2 314.473 3.309 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000511649133 435328605 /nfs/dbraw/zinc/32/86/05/435328605.db2.gz OSGSBMAQZJLJHW-HJGMHAGASA-N 2 2 314.473 3.309 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c2ccco2)cc1 ZINC000643493563 435336282 /nfs/dbraw/zinc/33/62/82/435336282.db2.gz FOPPSEKSBAZKTE-OGWOLHLISA-N 2 2 314.429 3.355 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643501511 435338228 /nfs/dbraw/zinc/33/82/28/435338228.db2.gz JHXHITCFCWSXGY-SWLSCSKDSA-N 2 2 314.351 3.304 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643507825 435338244 /nfs/dbraw/zinc/33/82/44/435338244.db2.gz QTLXZNDYKHPODA-AWEZNQCLSA-N 2 2 309.251 3.086 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643501936 435338556 /nfs/dbraw/zinc/33/85/56/435338556.db2.gz UBVDRPHIIKJJRR-GJZGRUSLSA-N 2 2 316.367 3.125 20 0 DGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CCCC[NH2+]1)CCC2 ZINC000643501785 435338838 /nfs/dbraw/zinc/33/88/38/435338838.db2.gz PVCUCHLVILPJHE-SJLPKXTDSA-N 2 2 300.446 3.121 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CC[NH2+]C2CC2)sc1Br ZINC000643507486 435340071 /nfs/dbraw/zinc/34/00/71/435340071.db2.gz GDWFSPMNFIKRMX-SECBINFHSA-N 2 2 303.269 3.222 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)n1 ZINC000639553061 435342111 /nfs/dbraw/zinc/34/21/11/435342111.db2.gz COADJXMYZQYNDM-UHFFFAOYSA-N 2 2 310.445 3.478 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600396 435342422 /nfs/dbraw/zinc/34/24/22/435342422.db2.gz LVAQPIPCXMSGPL-GUTXKFCHSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600396 435342427 /nfs/dbraw/zinc/34/24/27/435342427.db2.gz LVAQPIPCXMSGPL-GUTXKFCHSA-N 2 2 300.368 3.437 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000643530154 435343437 /nfs/dbraw/zinc/34/34/37/435343437.db2.gz VMTYGKBYGIVGFN-CVEARBPZSA-N 2 2 316.424 3.006 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000643527552 435343527 /nfs/dbraw/zinc/34/35/27/435343527.db2.gz OLDBNGBWFXYBBJ-ISVAXAHUSA-N 2 2 317.658 3.490 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OCC ZINC000643537280 435347008 /nfs/dbraw/zinc/34/70/08/435347008.db2.gz CMCUZVRCTDPQQU-HRCADAONSA-N 2 2 324.440 3.225 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537693 435347270 /nfs/dbraw/zinc/34/72/70/435347270.db2.gz OIVCKARISRLMFH-VOAKCMCISA-N 2 2 307.438 3.078 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc12 ZINC000643537471 435347282 /nfs/dbraw/zinc/34/72/82/435347282.db2.gz JCKPNOCEMBEPCU-RDBSUJKOSA-N 2 2 302.393 3.199 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)cc1 ZINC000643538758 435349989 /nfs/dbraw/zinc/34/99/89/435349989.db2.gz UORITKGIDNFLEF-LNLFQRSKSA-N 2 2 314.404 3.074 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643548799 435352306 /nfs/dbraw/zinc/35/23/06/435352306.db2.gz VJIOKAMTXDIDPW-WCQYABFASA-N 2 2 310.363 3.356 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000639595223 435359837 /nfs/dbraw/zinc/35/98/37/435359837.db2.gz GXZYKMSHJUQWTP-KRWDZBQOSA-N 2 2 304.821 3.483 20 0 DGADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000567368168 435310989 /nfs/dbraw/zinc/31/09/89/435310989.db2.gz NTOCQDUNYSQYSN-QXAKKESOSA-N 2 2 313.445 3.169 20 0 DGADLP COc1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000639476103 435311274 /nfs/dbraw/zinc/31/12/74/435311274.db2.gz ABECHPZGGLFHTQ-MRXNPFEDSA-N 2 2 322.412 3.277 20 0 DGADLP COc1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000639476103 435311277 /nfs/dbraw/zinc/31/12/77/435311277.db2.gz ABECHPZGGLFHTQ-MRXNPFEDSA-N 2 2 322.412 3.277 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567870952 435364302 /nfs/dbraw/zinc/36/43/02/435364302.db2.gz AJAAGXDDPQWYEH-AZUAARDMSA-N 2 2 322.452 3.307 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000567870952 435364307 /nfs/dbraw/zinc/36/43/07/435364307.db2.gz AJAAGXDDPQWYEH-AZUAARDMSA-N 2 2 322.452 3.307 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000568176137 435400260 /nfs/dbraw/zinc/40/02/60/435400260.db2.gz RHGNENBTMMEOGH-QGZVFWFLSA-N 2 2 319.836 3.080 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000568176137 435400269 /nfs/dbraw/zinc/40/02/69/435400269.db2.gz RHGNENBTMMEOGH-QGZVFWFLSA-N 2 2 319.836 3.080 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665220 435401927 /nfs/dbraw/zinc/40/19/27/435401927.db2.gz YPWWIUVTJWBOAS-KRWDZBQOSA-N 2 2 324.472 3.307 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665220 435401936 /nfs/dbraw/zinc/40/19/36/435401936.db2.gz YPWWIUVTJWBOAS-KRWDZBQOSA-N 2 2 324.472 3.307 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665220 435401941 /nfs/dbraw/zinc/40/19/41/435401941.db2.gz YPWWIUVTJWBOAS-KRWDZBQOSA-N 2 2 324.472 3.307 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000536665220 435401949 /nfs/dbraw/zinc/40/19/49/435401949.db2.gz YPWWIUVTJWBOAS-KRWDZBQOSA-N 2 2 324.472 3.307 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2cn(C)c3cc(Cl)ccc23)n1C ZINC000514617070 435424299 /nfs/dbraw/zinc/42/42/99/435424299.db2.gz RZHHECDSUPFPHI-UHFFFAOYSA-N 2 2 316.836 3.206 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779044 435412456 /nfs/dbraw/zinc/41/24/56/435412456.db2.gz WWBKMYTZJMMNMH-SFHVURJKSA-N 2 2 307.401 3.241 20 0 DGADLP CCC1([NH+](C)C)CCN(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000639796604 435424592 /nfs/dbraw/zinc/42/45/92/435424592.db2.gz VIMYCQUOCLRFIQ-UHFFFAOYSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639619139 435367106 /nfs/dbraw/zinc/36/71/06/435367106.db2.gz JYFIKQWSNBGTJB-GOEBONIOSA-N 2 2 313.445 3.407 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639613901 435367971 /nfs/dbraw/zinc/36/79/71/435367971.db2.gz ANJFMESONVDGQK-MRXNPFEDSA-N 2 2 304.434 3.048 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069248 435369375 /nfs/dbraw/zinc/36/93/75/435369375.db2.gz XRRWEJLPLFSKSJ-LBPRGKRZSA-N 2 2 305.809 3.072 20 0 DGADLP Cc1cccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000536369763 435378008 /nfs/dbraw/zinc/37/80/08/435378008.db2.gz IGQIOGXRXFEYOO-UHFFFAOYSA-N 2 2 311.429 3.345 20 0 DGADLP Clc1cnccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369895 435378868 /nfs/dbraw/zinc/37/88/68/435378868.db2.gz KWCBVMBMEQJZIH-UHFFFAOYSA-N 2 2 302.809 3.207 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664302 435388206 /nfs/dbraw/zinc/38/82/06/435388206.db2.gz ZIIYFPKLGHDYBM-FZKQIMNGSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664302 435388211 /nfs/dbraw/zinc/38/82/11/435388211.db2.gz ZIIYFPKLGHDYBM-FZKQIMNGSA-N 2 2 308.416 3.360 20 0 DGADLP CC(C)c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639681903 435392203 /nfs/dbraw/zinc/39/22/03/435392203.db2.gz HUYRPFFCORRJQA-UHFFFAOYSA-N 2 2 316.474 3.374 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)cc1OC ZINC000480743075 435392624 /nfs/dbraw/zinc/39/26/24/435392624.db2.gz YLPLWFHGTBXXKJ-HLLBOEOZSA-N 2 2 320.477 3.475 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)cc1OC ZINC000480743075 435392628 /nfs/dbraw/zinc/39/26/28/435392628.db2.gz YLPLWFHGTBXXKJ-HLLBOEOZSA-N 2 2 320.477 3.475 20 0 DGADLP CC[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000480786074 435395735 /nfs/dbraw/zinc/39/57/35/435395735.db2.gz KYVKXDUXAMLZFU-AABGKKOBSA-N 2 2 318.505 3.344 20 0 DGADLP Cc1noc(C2CCC([NH2+]CC[NH+]3[C@@H](C)CCC[C@@H]3C)CC2)n1 ZINC000644536953 435448766 /nfs/dbraw/zinc/44/87/66/435448766.db2.gz CKYHUZYPNIAVAB-JCAIJIATSA-N 2 2 320.481 3.257 20 0 DGADLP CC[N@H+](CCc1cc[nH+]cc1C)C[C@H]1COc2ccccc2O1 ZINC000568624240 435454166 /nfs/dbraw/zinc/45/41/66/435454166.db2.gz JDXMYNAQNKSQII-KRWDZBQOSA-N 2 2 312.413 3.094 20 0 DGADLP CC[N@@H+](CCc1cc[nH+]cc1C)C[C@H]1COc2ccccc2O1 ZINC000568624240 435454169 /nfs/dbraw/zinc/45/41/69/435454169.db2.gz JDXMYNAQNKSQII-KRWDZBQOSA-N 2 2 312.413 3.094 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000644631565 435474149 /nfs/dbraw/zinc/47/41/49/435474149.db2.gz OGBFDBQADGJSEX-OAQYLSRUSA-N 2 2 324.468 3.147 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000644631565 435474154 /nfs/dbraw/zinc/47/41/54/435474154.db2.gz OGBFDBQADGJSEX-OAQYLSRUSA-N 2 2 324.468 3.147 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000515350635 435476848 /nfs/dbraw/zinc/47/68/48/435476848.db2.gz TVTMMCNFDSXAFF-LJQANCHMSA-N 2 2 324.403 3.184 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000568861928 435476862 /nfs/dbraw/zinc/47/68/62/435476862.db2.gz AVNLJIFVYIJFNW-HNNXBMFYSA-N 2 2 322.412 3.110 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ncccc1O ZINC000568861928 435476864 /nfs/dbraw/zinc/47/68/64/435476864.db2.gz AVNLJIFVYIJFNW-HNNXBMFYSA-N 2 2 322.412 3.110 20 0 DGADLP Fc1cc(C[NH2+][C@H]2CCC23CCOCC3)ccc1-n1cc[nH+]c1 ZINC000569200123 435512043 /nfs/dbraw/zinc/51/20/43/435512043.db2.gz NJFWZXIRAMICFS-KRWDZBQOSA-N 2 2 315.392 3.060 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000569245900 435515364 /nfs/dbraw/zinc/51/53/64/435515364.db2.gz PYDBMLKYJSSOBN-IDCNUPLLSA-N 2 2 306.425 3.359 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000483532433 435524865 /nfs/dbraw/zinc/52/48/65/435524865.db2.gz OKTIBAOTVQYVKN-ROUUACIJSA-N 2 2 317.477 3.107 20 0 DGADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988758 435483124 /nfs/dbraw/zinc/48/31/24/435483124.db2.gz YWQPRMLXNSYEPU-DLBZAZTESA-N 2 2 323.525 3.020 20 0 DGADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988761 435483176 /nfs/dbraw/zinc/48/31/76/435483176.db2.gz YWQPRMLXNSYEPU-SJORKVTESA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+](CC)[C@@H](CNCc1[nH]c(C)c(C)[nH+]1)c1ccsc1 ZINC000515673115 435498934 /nfs/dbraw/zinc/49/89/34/435498934.db2.gz PNDPWSNCWXSJAY-HNNXBMFYSA-N 2 2 306.479 3.261 20 0 DGADLP CCCCO[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000539499859 435556878 /nfs/dbraw/zinc/55/68/78/435556878.db2.gz LPIIXTWYIYYQBR-IRXDYDNUSA-N 2 2 319.493 3.335 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792706 435560566 /nfs/dbraw/zinc/56/05/66/435560566.db2.gz KIUMTHICYCZROA-SJKOYZFVSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000569792706 435560571 /nfs/dbraw/zinc/56/05/71/435560571.db2.gz KIUMTHICYCZROA-SJKOYZFVSA-N 2 2 310.844 3.484 20 0 DGADLP C[N@H+](CCOC(c1ccccc1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000569811314 435564127 /nfs/dbraw/zinc/56/41/27/435564127.db2.gz RYEDZUNLRZCWAW-IBGZPJMESA-N 2 2 310.441 3.086 20 0 DGADLP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000569811314 435564133 /nfs/dbraw/zinc/56/41/33/435564133.db2.gz RYEDZUNLRZCWAW-IBGZPJMESA-N 2 2 310.441 3.086 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000649416078 435582941 /nfs/dbraw/zinc/58/29/41/435582941.db2.gz LXBBXTFAHWGKPW-UHFFFAOYSA-N 2 2 305.809 3.308 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCCC2)C[NH+]1CCOCC1 ZINC000484149378 435540245 /nfs/dbraw/zinc/54/02/45/435540245.db2.gz WZWQDLQKFVOQLI-IAGOWNOFSA-N 2 2 316.489 3.184 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C(C)C)cc1 ZINC000484139464 435540295 /nfs/dbraw/zinc/54/02/95/435540295.db2.gz FKVZQXFOAOULCP-UYAOXDASSA-N 2 2 318.505 3.120 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000569544927 435540993 /nfs/dbraw/zinc/54/09/93/435540993.db2.gz CYLHWBXIGAZOCF-HOBHPSKFSA-N 2 2 320.481 3.257 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000569544927 435540997 /nfs/dbraw/zinc/54/09/97/435540997.db2.gz CYLHWBXIGAZOCF-HOBHPSKFSA-N 2 2 320.481 3.257 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC000569577172 435544198 /nfs/dbraw/zinc/54/41/98/435544198.db2.gz IGXSGGZENSPEEN-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC000569577172 435544204 /nfs/dbraw/zinc/54/42/04/435544204.db2.gz IGXSGGZENSPEEN-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Cc1cccc(C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000484500284 435546492 /nfs/dbraw/zinc/54/64/92/435546492.db2.gz KKAGLOLPFYWAFD-RTBURBONSA-N 2 2 318.530 3.343 20 0 DGADLP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000518363637 435636470 /nfs/dbraw/zinc/63/64/70/435636470.db2.gz BGAYXOUCRYWUAG-DPCKTDSQSA-N 2 2 304.478 3.209 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(CC)CC ZINC000540595301 435610523 /nfs/dbraw/zinc/61/05/23/435610523.db2.gz YMIBYGWWZGYPAV-SJORKVTESA-N 2 2 315.461 3.450 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000517852541 435614112 /nfs/dbraw/zinc/61/41/12/435614112.db2.gz GLOKOMLXXNJUTE-INIZCTEOSA-N 2 2 300.450 3.163 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000517852541 435614128 /nfs/dbraw/zinc/61/41/28/435614128.db2.gz GLOKOMLXXNJUTE-INIZCTEOSA-N 2 2 300.450 3.163 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000649538441 435617603 /nfs/dbraw/zinc/61/76/03/435617603.db2.gz NBAGKWIDOKKILX-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000649538441 435617608 /nfs/dbraw/zinc/61/76/08/435617608.db2.gz NBAGKWIDOKKILX-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[N@@H+]1CCCC[C@H]1C ZINC000570474885 435622061 /nfs/dbraw/zinc/62/20/61/435622061.db2.gz LRCJLORIVLBTEY-TVFCKZIOSA-N 2 2 318.509 3.299 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[N@H+]1CCCC[C@H]1C ZINC000570474885 435622066 /nfs/dbraw/zinc/62/20/66/435622066.db2.gz LRCJLORIVLBTEY-TVFCKZIOSA-N 2 2 318.509 3.299 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561804 435626076 /nfs/dbraw/zinc/62/60/76/435626076.db2.gz JZZNNOXDXFPHNW-QAPCUYQASA-N 2 2 305.466 3.031 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561804 435626079 /nfs/dbraw/zinc/62/60/79/435626079.db2.gz JZZNNOXDXFPHNW-QAPCUYQASA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561804 435626081 /nfs/dbraw/zinc/62/60/81/435626081.db2.gz JZZNNOXDXFPHNW-QAPCUYQASA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000649561804 435626084 /nfs/dbraw/zinc/62/60/84/435626084.db2.gz JZZNNOXDXFPHNW-QAPCUYQASA-N 2 2 305.466 3.031 20 0 DGADLP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)C1 ZINC000570520450 435627107 /nfs/dbraw/zinc/62/71/07/435627107.db2.gz YTRSSZNPXTVPQJ-BETUJISGSA-N 2 2 312.417 3.286 20 0 DGADLP Cc1c[nH+]c(C)nc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000570529592 435628546 /nfs/dbraw/zinc/62/85/46/435628546.db2.gz RLSQGYPWJXWSAW-QZTJIDSGSA-N 2 2 310.445 3.588 20 0 DGADLP Cc1c[nH+]c(C)nc1NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000570529592 435628553 /nfs/dbraw/zinc/62/85/53/435628553.db2.gz RLSQGYPWJXWSAW-QZTJIDSGSA-N 2 2 310.445 3.588 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143886 435593782 /nfs/dbraw/zinc/59/37/82/435593782.db2.gz WQSMJSOLBBKTKZ-GJYPPUQNSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000570143886 435593786 /nfs/dbraw/zinc/59/37/86/435593786.db2.gz WQSMJSOLBBKTKZ-GJYPPUQNSA-N 2 2 320.452 3.225 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ncc(Cl)s1 ZINC000640533526 435597656 /nfs/dbraw/zinc/59/76/56/435597656.db2.gz UQRRUJIJVLTDQE-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ncc(Cl)s1 ZINC000640533526 435597658 /nfs/dbraw/zinc/59/76/58/435597658.db2.gz UQRRUJIJVLTDQE-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189486 435598794 /nfs/dbraw/zinc/59/87/94/435598794.db2.gz SSLSQGTVBBJRIU-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189486 435598796 /nfs/dbraw/zinc/59/87/96/435598796.db2.gz SSLSQGTVBBJRIU-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000570189486 435598799 /nfs/dbraw/zinc/59/87/99/435598799.db2.gz SSLSQGTVBBJRIU-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000570189486 435598802 /nfs/dbraw/zinc/59/88/02/435598802.db2.gz SSLSQGTVBBJRIU-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000570301540 435606030 /nfs/dbraw/zinc/60/60/30/435606030.db2.gz CXPOONPXZNFZLH-SXLOBPIMSA-N 2 2 324.472 3.190 20 0 DGADLP c1cc(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000570301540 435606034 /nfs/dbraw/zinc/60/60/34/435606034.db2.gz CXPOONPXZNFZLH-SXLOBPIMSA-N 2 2 324.472 3.190 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649625372 435646579 /nfs/dbraw/zinc/64/65/79/435646579.db2.gz YDNUVJAWXBDFHK-CQSZACIVSA-N 2 2 322.880 3.228 20 0 DGADLP c1nc2cc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)ccc2[nH]1 ZINC000518767443 435653759 /nfs/dbraw/zinc/65/37/59/435653759.db2.gz BCMJIDMXMLYXNE-UHFFFAOYSA-N 2 2 320.440 3.101 20 0 DGADLP c1nc2cc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)ccc2[nH]1 ZINC000518767443 435653765 /nfs/dbraw/zinc/65/37/65/435653765.db2.gz BCMJIDMXMLYXNE-UHFFFAOYSA-N 2 2 320.440 3.101 20 0 DGADLP c1nc2ccc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cc2[nH]1 ZINC000518767443 435653768 /nfs/dbraw/zinc/65/37/68/435653768.db2.gz BCMJIDMXMLYXNE-UHFFFAOYSA-N 2 2 320.440 3.101 20 0 DGADLP c1nc2ccc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cc2[nH]1 ZINC000518767443 435653772 /nfs/dbraw/zinc/65/37/72/435653772.db2.gz BCMJIDMXMLYXNE-UHFFFAOYSA-N 2 2 320.440 3.101 20 0 DGADLP Nc1cc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)cc[nH+]1 ZINC000649647315 435653985 /nfs/dbraw/zinc/65/39/85/435653985.db2.gz IUEPTLJVOUPBMN-UHFFFAOYSA-N 2 2 307.441 3.265 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000548035455 435662994 /nfs/dbraw/zinc/66/29/94/435662994.db2.gz KGJLFYIVWAYLJC-MJBXVCDLSA-N 2 2 312.417 3.277 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000548035455 435662998 /nfs/dbraw/zinc/66/29/98/435662998.db2.gz KGJLFYIVWAYLJC-MJBXVCDLSA-N 2 2 312.417 3.277 20 0 DGADLP Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000571103677 435678390 /nfs/dbraw/zinc/67/83/90/435678390.db2.gz GMVFRGOTXZJRSP-CYBMUJFWSA-N 2 2 311.389 3.065 20 0 DGADLP Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000571103677 435678395 /nfs/dbraw/zinc/67/83/95/435678395.db2.gz GMVFRGOTXZJRSP-CYBMUJFWSA-N 2 2 311.389 3.065 20 0 DGADLP O=C(Nc1ccccc1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000519138215 435671260 /nfs/dbraw/zinc/67/12/60/435671260.db2.gz FGVZQCQNEYXZLP-MOPGFXCFSA-N 2 2 323.440 3.098 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641111752 435694346 /nfs/dbraw/zinc/69/43/46/435694346.db2.gz GDENKQYEQLLFKC-UHFFFAOYSA-N 2 2 321.428 3.279 20 0 DGADLP COc1cncc(/C=C\CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000645793760 435692232 /nfs/dbraw/zinc/69/22/32/435692232.db2.gz RVTBAMZCTDGZAX-OMUXJLDVSA-N 2 2 312.417 3.027 20 0 DGADLP COc1cncc(/C=C\CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000645793760 435692235 /nfs/dbraw/zinc/69/22/35/435692235.db2.gz RVTBAMZCTDGZAX-OMUXJLDVSA-N 2 2 312.417 3.027 20 0 DGADLP Fc1cccc(F)c1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000645808501 435693724 /nfs/dbraw/zinc/69/37/24/435693724.db2.gz SSLVCZBIYVHSNR-HNNXBMFYSA-N 2 2 308.416 3.315 20 0 DGADLP Fc1cccc(F)c1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000645808501 435693728 /nfs/dbraw/zinc/69/37/28/435693728.db2.gz SSLVCZBIYVHSNR-HNNXBMFYSA-N 2 2 308.416 3.315 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709162 435701672 /nfs/dbraw/zinc/70/16/72/435701672.db2.gz VJVVKNMGYYRGQK-IBGZPJMESA-N 2 2 324.468 3.242 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709162 435701676 /nfs/dbraw/zinc/70/16/76/435701676.db2.gz VJVVKNMGYYRGQK-IBGZPJMESA-N 2 2 324.468 3.242 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709162 435701679 /nfs/dbraw/zinc/70/16/79/435701679.db2.gz VJVVKNMGYYRGQK-IBGZPJMESA-N 2 2 324.468 3.242 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519709162 435701681 /nfs/dbraw/zinc/70/16/81/435701681.db2.gz VJVVKNMGYYRGQK-IBGZPJMESA-N 2 2 324.468 3.242 20 0 DGADLP C[C@H]1CC[N@H+](CCc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000645837219 435702290 /nfs/dbraw/zinc/70/22/90/435702290.db2.gz LHKRKWRUMQEKCJ-SUMWQHHRSA-N 2 2 305.372 3.287 20 0 DGADLP C[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000645837219 435702292 /nfs/dbraw/zinc/70/22/92/435702292.db2.gz LHKRKWRUMQEKCJ-SUMWQHHRSA-N 2 2 305.372 3.287 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000491028145 435699120 /nfs/dbraw/zinc/69/91/20/435699120.db2.gz CUSFOLDGMYTWMM-WQGACYEGSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000491028145 435699125 /nfs/dbraw/zinc/69/91/25/435699125.db2.gz CUSFOLDGMYTWMM-WQGACYEGSA-N 2 2 310.388 3.421 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655704169 435734826 /nfs/dbraw/zinc/73/48/26/435734826.db2.gz RPUMHERYQBZJNF-ROUUACIJSA-N 2 2 306.425 3.120 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1OC(F)F ZINC000660465178 435762880 /nfs/dbraw/zinc/76/28/80/435762880.db2.gz WMDPJAWGSMORBQ-UHFFFAOYSA-N 2 2 316.367 3.345 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1OC(F)F ZINC000660465178 435762888 /nfs/dbraw/zinc/76/28/88/435762888.db2.gz WMDPJAWGSMORBQ-UHFFFAOYSA-N 2 2 316.367 3.345 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nc(C)cs1 ZINC000655713135 435744695 /nfs/dbraw/zinc/74/46/95/435744695.db2.gz VZMINXDKGHFVEB-HZPDHXFCSA-N 2 2 323.506 3.136 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000655719858 435745724 /nfs/dbraw/zinc/74/57/24/435745724.db2.gz YYAAYSLHCNOEDZ-MAUKXSAKSA-N 2 2 321.428 3.153 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)c1F ZINC000655720023 435745920 /nfs/dbraw/zinc/74/59/20/435745920.db2.gz NRMNYGYYCPZDJF-MAUKXSAKSA-N 2 2 320.452 3.346 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCn2ccnc21 ZINC000655719116 435747764 /nfs/dbraw/zinc/74/77/64/435747764.db2.gz QVDBLVWEIBFNMC-QRQLOZEOSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCn2ccnc21 ZINC000655719116 435747768 /nfs/dbraw/zinc/74/77/68/435747768.db2.gz QVDBLVWEIBFNMC-QRQLOZEOSA-N 2 2 324.472 3.218 20 0 DGADLP Cc1c2ccccc2oc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716331 435748052 /nfs/dbraw/zinc/74/80/52/435748052.db2.gz RWCVGIUHOVZMET-MRXNPFEDSA-N 2 2 314.429 3.084 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737919 435761280 /nfs/dbraw/zinc/76/12/80/435761280.db2.gz RIACKXKTLBQBST-XFQXTVEOSA-N 2 2 314.473 3.153 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466625 435762474 /nfs/dbraw/zinc/76/24/74/435762474.db2.gz VFKKZLXSUKMRMY-JWLCQNFESA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466625 435762481 /nfs/dbraw/zinc/76/24/81/435762481.db2.gz VFKKZLXSUKMRMY-JWLCQNFESA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[NH+]2CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466625 435762486 /nfs/dbraw/zinc/76/24/86/435762486.db2.gz VFKKZLXSUKMRMY-JWLCQNFESA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[NH+]2CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466625 435762493 /nfs/dbraw/zinc/76/24/93/435762493.db2.gz VFKKZLXSUKMRMY-JWLCQNFESA-N 2 2 322.537 3.226 20 0 DGADLP Cc1cccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000655779343 435792925 /nfs/dbraw/zinc/79/29/25/435792925.db2.gz JDCAIRNSZYVFAE-LJQANCHMSA-N 2 2 314.473 3.217 20 0 DGADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693413 435793494 /nfs/dbraw/zinc/79/34/94/435793494.db2.gz NFNNQBPYMISHES-MOPGFXCFSA-N 3 2 307.526 3.103 20 0 DGADLP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000651705869 435798261 /nfs/dbraw/zinc/79/82/61/435798261.db2.gz KDMXSTGVTFIFAB-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000651705869 435798270 /nfs/dbraw/zinc/79/82/70/435798270.db2.gz KDMXSTGVTFIFAB-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000651705870 435798374 /nfs/dbraw/zinc/79/83/74/435798374.db2.gz KDMXSTGVTFIFAB-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000651705870 435798381 /nfs/dbraw/zinc/79/83/81/435798381.db2.gz KDMXSTGVTFIFAB-CQSZACIVSA-N 2 2 324.440 3.053 20 0 DGADLP Cc1ccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655792894 435798778 /nfs/dbraw/zinc/79/87/78/435798778.db2.gz SKFOSOXOFKIWLA-LJQANCHMSA-N 2 2 314.473 3.217 20 0 DGADLP C[N@H+](Cc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542538 435799391 /nfs/dbraw/zinc/79/93/91/435799391.db2.gz SRPBPPDZBLCPIL-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP C[N@@H+](Cc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542538 435799395 /nfs/dbraw/zinc/79/93/95/435799395.db2.gz SRPBPPDZBLCPIL-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP C[NH+](Cc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542538 435799400 /nfs/dbraw/zinc/79/94/00/435799400.db2.gz SRPBPPDZBLCPIL-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP C[NH+](Cc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660542538 435799406 /nfs/dbraw/zinc/79/94/06/435799406.db2.gz SRPBPPDZBLCPIL-PBWFPOADSA-N 2 2 301.459 3.353 20 0 DGADLP C[NH+](C)C1CC([NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000655792998 435800888 /nfs/dbraw/zinc/80/08/88/435800888.db2.gz FSSDRSYNADYAPL-UHFFFAOYSA-N 2 2 315.486 3.111 20 0 DGADLP Clc1ccc2c(ccn2CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660583562 435815961 /nfs/dbraw/zinc/81/59/61/435815961.db2.gz KUEQJVWQUPPITK-UHFFFAOYSA-N 2 2 300.793 3.007 20 0 DGADLP Clc1ccc2c(ccn2CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660583562 435815969 /nfs/dbraw/zinc/81/59/69/435815969.db2.gz KUEQJVWQUPPITK-UHFFFAOYSA-N 2 2 300.793 3.007 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472396 435765681 /nfs/dbraw/zinc/76/56/81/435765681.db2.gz JXPBZTZCCOZKDT-ZBFHGGJFSA-N 2 2 324.415 3.213 20 0 DGADLP Cc1cccc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478274 435768585 /nfs/dbraw/zinc/76/85/85/435768585.db2.gz LCPYSIZXAQWLHS-HXUWFJFHSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1cccc(CCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478274 435768592 /nfs/dbraw/zinc/76/85/92/435768592.db2.gz LCPYSIZXAQWLHS-HXUWFJFHSA-N 2 2 316.489 3.114 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)co1 ZINC000660486601 435769792 /nfs/dbraw/zinc/76/97/92/435769792.db2.gz KMZBOLGEZQPXFK-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)co1 ZINC000660486601 435769799 /nfs/dbraw/zinc/76/97/99/435769799.db2.gz KMZBOLGEZQPXFK-GOSISDBHSA-N 2 2 313.445 3.373 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000520812835 435774718 /nfs/dbraw/zinc/77/47/18/435774718.db2.gz GHVXRILFVGPVMQ-HOCLYGCPSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000520812835 435774732 /nfs/dbraw/zinc/77/47/32/435774732.db2.gz GHVXRILFVGPVMQ-HOCLYGCPSA-N 2 2 320.864 3.170 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644468 435777142 /nfs/dbraw/zinc/77/71/42/435777142.db2.gz SDZYKRYHTIMTCR-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644468 435777147 /nfs/dbraw/zinc/77/71/47/435777147.db2.gz SDZYKRYHTIMTCR-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644468 435777153 /nfs/dbraw/zinc/77/71/53/435777153.db2.gz SDZYKRYHTIMTCR-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644468 435777159 /nfs/dbraw/zinc/77/71/59/435777159.db2.gz SDZYKRYHTIMTCR-CJNGLKHVSA-N 2 2 324.440 3.005 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cc2cnccc2o1)Cc1ccccc1 ZINC000651669534 435783006 /nfs/dbraw/zinc/78/30/06/435783006.db2.gz ZMTMPPTZHSUWGO-UHFFFAOYSA-N 2 2 309.413 3.440 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cc2cnccc2o1)Cc1ccccc1 ZINC000651669534 435783011 /nfs/dbraw/zinc/78/30/11/435783011.db2.gz ZMTMPPTZHSUWGO-UHFFFAOYSA-N 2 2 309.413 3.440 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000641805001 435829863 /nfs/dbraw/zinc/82/98/63/435829863.db2.gz LHMCMIYPQJLWGY-ZIAGYGMSSA-N 2 2 305.809 3.210 20 0 DGADLP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655840187 435833792 /nfs/dbraw/zinc/83/37/92/435833792.db2.gz NXNFMOWRONQNLJ-UAOJZALGSA-N 2 2 319.408 3.181 20 0 DGADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000651814577 435834159 /nfs/dbraw/zinc/83/41/59/435834159.db2.gz ZSOWBNXKYAKQJQ-GWCFXTLKSA-N 2 2 305.784 3.337 20 0 DGADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000651814577 435834165 /nfs/dbraw/zinc/83/41/65/435834165.db2.gz ZSOWBNXKYAKQJQ-GWCFXTLKSA-N 2 2 305.784 3.337 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000655846743 435835859 /nfs/dbraw/zinc/83/58/59/435835859.db2.gz KWJLFABYIZAEOH-CJNGLKHVSA-N 2 2 316.436 3.043 20 0 DGADLP C[NH+]1CCC([NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000655845513 435837083 /nfs/dbraw/zinc/83/70/83/435837083.db2.gz KAWDVEFKANDWQZ-UHFFFAOYSA-N 2 2 314.351 3.258 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848196 435838179 /nfs/dbraw/zinc/83/81/79/435838179.db2.gz GSMZNBWMHDGYGS-KFKAGJAMSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848196 435838184 /nfs/dbraw/zinc/83/81/84/435838184.db2.gz GSMZNBWMHDGYGS-KFKAGJAMSA-N 2 2 302.462 3.233 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)COC2 ZINC000655849475 435838221 /nfs/dbraw/zinc/83/82/21/435838221.db2.gz VOYUVUUWPQGXCC-JVPBZIDWSA-N 2 2 300.446 3.384 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)COC2 ZINC000655849475 435838224 /nfs/dbraw/zinc/83/82/24/435838224.db2.gz VOYUVUUWPQGXCC-JVPBZIDWSA-N 2 2 300.446 3.384 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849853 435839050 /nfs/dbraw/zinc/83/90/50/435839050.db2.gz ZNSRXLADQNNFKK-BJJXKVORSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849853 435839057 /nfs/dbraw/zinc/83/90/57/435839057.db2.gz ZNSRXLADQNNFKK-BJJXKVORSA-N 2 2 315.417 3.201 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849916 435839131 /nfs/dbraw/zinc/83/91/31/435839131.db2.gz QVLSHJARRFSNKD-KSZLIROESA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849916 435839140 /nfs/dbraw/zinc/83/91/40/435839140.db2.gz QVLSHJARRFSNKD-KSZLIROESA-N 2 2 300.446 3.289 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849775 435839593 /nfs/dbraw/zinc/83/95/93/435839593.db2.gz YOCHVNKETAYAPD-RCCFBDPRSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849775 435839600 /nfs/dbraw/zinc/83/96/00/435839600.db2.gz YOCHVNKETAYAPD-RCCFBDPRSA-N 2 2 300.446 3.376 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848675 435839724 /nfs/dbraw/zinc/83/97/24/435839724.db2.gz JVLSUXCLMSEVQK-JVPBZIDWSA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848675 435839726 /nfs/dbraw/zinc/83/97/26/435839726.db2.gz JVLSUXCLMSEVQK-JVPBZIDWSA-N 2 2 315.461 3.313 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000655847585 435840527 /nfs/dbraw/zinc/84/05/27/435840527.db2.gz BZZGNTPRQOQUJP-XIRDDKMYSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCCO2 ZINC000655847585 435840532 /nfs/dbraw/zinc/84/05/32/435840532.db2.gz BZZGNTPRQOQUJP-XIRDDKMYSA-N 2 2 316.445 3.125 20 0 DGADLP C1CC[N@@H+]2CCC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@H]2C1 ZINC000655849245 435840729 /nfs/dbraw/zinc/84/07/29/435840729.db2.gz RIDLRGDZDGZLBQ-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP C1CC[N@H+]2CCC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@H]2C1 ZINC000655849245 435840736 /nfs/dbraw/zinc/84/07/36/435840736.db2.gz RIDLRGDZDGZLBQ-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP C1C[C@@H]([C@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848087 435840852 /nfs/dbraw/zinc/84/08/52/435840852.db2.gz ASLZQLIPEYNUEY-ZWJWXYIHSA-N 2 2 306.494 3.188 20 0 DGADLP C1C[C@@H]([C@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848087 435840858 /nfs/dbraw/zinc/84/08/58/435840858.db2.gz ASLZQLIPEYNUEY-ZWJWXYIHSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850724 435842011 /nfs/dbraw/zinc/84/20/11/435842011.db2.gz YTMSYJDPOVUXCM-KBAYOESNSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850724 435842016 /nfs/dbraw/zinc/84/20/16/435842016.db2.gz YTMSYJDPOVUXCM-KBAYOESNSA-N 2 2 315.461 3.010 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655856556 435846857 /nfs/dbraw/zinc/84/68/57/435846857.db2.gz NQEYEYBORGCPAC-ROUUACIJSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655856556 435846863 /nfs/dbraw/zinc/84/68/63/435846863.db2.gz NQEYEYBORGCPAC-ROUUACIJSA-N 2 2 311.429 3.047 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857725 435848555 /nfs/dbraw/zinc/84/85/55/435848555.db2.gz VBCONFBVQHXRGF-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857725 435848560 /nfs/dbraw/zinc/84/85/60/435848560.db2.gz VBCONFBVQHXRGF-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OC1CC1)C2 ZINC000660662705 435848658 /nfs/dbraw/zinc/84/86/58/435848658.db2.gz LPXCMTMRKFIZJB-IBGZPJMESA-N 2 2 300.446 3.146 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OC1CC1)C2 ZINC000660662705 435848665 /nfs/dbraw/zinc/84/86/65/435848665.db2.gz LPXCMTMRKFIZJB-IBGZPJMESA-N 2 2 300.446 3.146 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1OC1CC1)C2 ZINC000660662705 435848674 /nfs/dbraw/zinc/84/86/74/435848674.db2.gz LPXCMTMRKFIZJB-IBGZPJMESA-N 2 2 300.446 3.146 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1OC1CC1)C2 ZINC000660662705 435848680 /nfs/dbraw/zinc/84/86/80/435848680.db2.gz LPXCMTMRKFIZJB-IBGZPJMESA-N 2 2 300.446 3.146 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655857879 435849034 /nfs/dbraw/zinc/84/90/34/435849034.db2.gz VEXQFDCONYATSU-SJORKVTESA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655857879 435849036 /nfs/dbraw/zinc/84/90/36/435849036.db2.gz VEXQFDCONYATSU-SJORKVTESA-N 2 2 324.415 3.437 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCCO1 ZINC000655857858 435849573 /nfs/dbraw/zinc/84/95/73/435849573.db2.gz XCJYAZJEJMVUNL-JKSUJKDBSA-N 2 2 305.447 3.371 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857728 435850000 /nfs/dbraw/zinc/85/00/00/435850000.db2.gz VBCONFBVQHXRGF-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857728 435850007 /nfs/dbraw/zinc/85/00/07/435850007.db2.gz VBCONFBVQHXRGF-HZPDHXFCSA-N 2 2 310.388 3.395 20 0 DGADLP Cc1[nH+]cc(CNCCC[N@@H+](C)CC(C)C)n1-c1ccccc1 ZINC000651865807 435850986 /nfs/dbraw/zinc/85/09/86/435850986.db2.gz IOWCRKSWZSEIEY-UHFFFAOYSA-N 2 2 314.477 3.248 20 0 DGADLP Cc1[nH+]cc(CNCCC[N@H+](C)CC(C)C)n1-c1ccccc1 ZINC000651865807 435850990 /nfs/dbraw/zinc/85/09/90/435850990.db2.gz IOWCRKSWZSEIEY-UHFFFAOYSA-N 2 2 314.477 3.248 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000551787858 435852808 /nfs/dbraw/zinc/85/28/08/435852808.db2.gz NIFLVBIMOATLPG-GFCCVEGCSA-N 2 2 308.813 3.071 20 0 DGADLP c1c(CN2CCC([NH2+]Cc3ccccc3)CC2)[nH+]c2ccccn12 ZINC000660674255 435855567 /nfs/dbraw/zinc/85/55/67/435855567.db2.gz OJTIQWCAIIGUDE-UHFFFAOYSA-N 2 2 320.440 3.089 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000660691562 435860058 /nfs/dbraw/zinc/86/00/58/435860058.db2.gz FYZZIICXERHRJL-OAHLLOKOSA-N 2 2 324.896 3.474 20 0 DGADLP C[C@@H](CC[NH+](C)C)Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642105171 435860754 /nfs/dbraw/zinc/86/07/54/435860754.db2.gz QOSVGHBJVRWXJN-JTQLQIEISA-N 2 2 301.369 3.002 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H](CC)CO1 ZINC000651912730 435865439 /nfs/dbraw/zinc/86/54/39/435865439.db2.gz COMHTGCLXNCTCJ-UKRRQHHQSA-N 2 2 305.447 3.323 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H](CC)CO1 ZINC000651912730 435865443 /nfs/dbraw/zinc/86/54/43/435865443.db2.gz COMHTGCLXNCTCJ-UKRRQHHQSA-N 2 2 305.447 3.323 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801098 435868025 /nfs/dbraw/zinc/86/80/25/435868025.db2.gz OAOQJPKFOAVWEB-HIFRSBDPSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801098 435868031 /nfs/dbraw/zinc/86/80/31/435868031.db2.gz OAOQJPKFOAVWEB-HIFRSBDPSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801098 435868037 /nfs/dbraw/zinc/86/80/37/435868037.db2.gz OAOQJPKFOAVWEB-HIFRSBDPSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801098 435868039 /nfs/dbraw/zinc/86/80/39/435868039.db2.gz OAOQJPKFOAVWEB-HIFRSBDPSA-N 2 2 310.869 3.178 20 0 DGADLP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@@H+]1C ZINC000642194102 435869458 /nfs/dbraw/zinc/86/94/58/435869458.db2.gz VALXCSMMQZKGDL-JQWIXIFHSA-N 2 2 313.380 3.145 20 0 DGADLP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC[N@H+]1C ZINC000642194102 435869462 /nfs/dbraw/zinc/86/94/62/435869462.db2.gz VALXCSMMQZKGDL-JQWIXIFHSA-N 2 2 313.380 3.145 20 0 DGADLP Cc1cnc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000655826129 435824790 /nfs/dbraw/zinc/82/47/90/435824790.db2.gz DZXQRNOKRWLZBS-UHFFFAOYSA-N 2 2 306.413 3.216 20 0 DGADLP CO[C@@H](C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000660761896 435886871 /nfs/dbraw/zinc/88/68/71/435886871.db2.gz HVMDUWVCXCVQMS-HNNXBMFYSA-N 2 2 322.415 3.150 20 0 DGADLP CO[C@@H](C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000660761896 435886875 /nfs/dbraw/zinc/88/68/75/435886875.db2.gz HVMDUWVCXCVQMS-HNNXBMFYSA-N 2 2 322.415 3.150 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280956 435935739 /nfs/dbraw/zinc/93/57/39/435935739.db2.gz GBUPWWYVDHXFMQ-UHOSZYNNSA-N 2 2 306.494 3.166 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280956 435935744 /nfs/dbraw/zinc/93/57/44/435935744.db2.gz GBUPWWYVDHXFMQ-UHOSZYNNSA-N 2 2 306.494 3.166 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](CC[C@H]4CCCO4)CC3)[nH]c2c1 ZINC000660857393 435909401 /nfs/dbraw/zinc/90/94/01/435909401.db2.gz MXIDZBIWWRHZEH-MRXNPFEDSA-N 2 2 313.445 3.387 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000656201511 435910691 /nfs/dbraw/zinc/91/06/91/435910691.db2.gz QTHZVIWXTOQHFH-IKGGRYGDSA-N 2 2 310.397 3.253 20 0 DGADLP c1oc2ccccc2c1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656280901 435936386 /nfs/dbraw/zinc/93/63/86/435936386.db2.gz CGTYFJLGTHWTFR-KRWDZBQOSA-N 2 2 314.429 3.120 20 0 DGADLP c1oc2ccccc2c1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656280901 435936390 /nfs/dbraw/zinc/93/63/90/435936390.db2.gz CGTYFJLGTHWTFR-KRWDZBQOSA-N 2 2 314.429 3.120 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cscn1 ZINC000665240838 435925925 /nfs/dbraw/zinc/92/59/25/435925925.db2.gz UAMWSASKNFNEPZ-DXCKQFNASA-N 2 2 315.442 3.050 20 0 DGADLP COc1ccc2oc([C@@H](C)[NH2+]CC34CC(C3)C[NH2+]4)c(C)c2c1 ZINC000665277669 435936785 /nfs/dbraw/zinc/93/67/85/435936785.db2.gz HTTRFEPBHBGWFJ-WHENESEISA-N 2 2 300.402 3.152 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)s1 ZINC000665254429 435929821 /nfs/dbraw/zinc/92/98/21/435929821.db2.gz PZRNIBRNINACTE-IUIKQTSFSA-N 2 2 319.449 3.387 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H](C)c1nccnc1C)C1CCCCC1 ZINC000652238150 435931119 /nfs/dbraw/zinc/93/11/19/435931119.db2.gz VFHAFFZLPIJLTL-OAHLLOKOSA-N 2 2 304.482 3.480 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H](C)c1nccnc1C)C1CCCCC1 ZINC000652238150 435931121 /nfs/dbraw/zinc/93/11/21/435931121.db2.gz VFHAFFZLPIJLTL-OAHLLOKOSA-N 2 2 304.482 3.480 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252494 435931318 /nfs/dbraw/zinc/93/13/18/435931318.db2.gz QYZZECDVAXQWCB-OTNPHJDUSA-N 2 2 324.468 3.498 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257135 435932344 /nfs/dbraw/zinc/93/23/44/435932344.db2.gz AUKMLUFAKDJDPH-POZUXBRTSA-N 2 2 313.420 3.325 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 ZINC000665257747 435932385 /nfs/dbraw/zinc/93/23/85/435932385.db2.gz SVCSPIHKQPEPJD-UPRAQXHNSA-N 2 2 314.404 3.328 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652356183 435958849 /nfs/dbraw/zinc/95/88/49/435958849.db2.gz VQFPQCJFSRZDTH-HIFRSBDPSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652356183 435958853 /nfs/dbraw/zinc/95/88/53/435958853.db2.gz VQFPQCJFSRZDTH-HIFRSBDPSA-N 2 2 318.440 3.145 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CO1 ZINC000647174224 435960742 /nfs/dbraw/zinc/96/07/42/435960742.db2.gz SYVYJTBXUFZHOP-YTQUADARSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CO[C@H](C)C2)CCCC1)c1ccccc1 ZINC000647185035 435966194 /nfs/dbraw/zinc/96/61/94/435966194.db2.gz LZJJERLQJFMKNY-NUJGCVRESA-N 2 2 302.462 3.417 20 0 DGADLP Fc1ccccc1C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665279768 435939010 /nfs/dbraw/zinc/93/90/10/435939010.db2.gz LURBMUOCRLWWMY-KHPNHKCMSA-N 2 2 310.416 3.451 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000665297698 435942122 /nfs/dbraw/zinc/94/21/22/435942122.db2.gz JZGANZCGDAOMKJ-XPTSAGLGSA-N 2 2 315.230 3.237 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000665296513 435942365 /nfs/dbraw/zinc/94/23/65/435942365.db2.gz UBSAGPXFYPBRQQ-GJZGRUSLSA-N 2 2 300.450 3.056 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000665297699 435943036 /nfs/dbraw/zinc/94/30/36/435943036.db2.gz JZGANZCGDAOMKJ-YMTOWFKASA-N 2 2 315.230 3.237 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000665295382 435943133 /nfs/dbraw/zinc/94/31/33/435943133.db2.gz CPIDJVFEXUAQDA-JOYOIKCWSA-N 2 2 303.233 3.405 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000665297696 435943488 /nfs/dbraw/zinc/94/34/88/435943488.db2.gz JZGANZCGDAOMKJ-LKFCYVNXSA-N 2 2 315.230 3.237 20 0 DGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])on1 ZINC000665299895 435944564 /nfs/dbraw/zinc/94/45/64/435944564.db2.gz VCVJCRKOQMKUFD-JKSUJKDBSA-N 2 2 315.417 3.100 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299404 435944633 /nfs/dbraw/zinc/94/46/33/435944633.db2.gz MKYQFSLPOOFNNE-IKGGRYGDSA-N 2 2 310.445 3.109 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402362 435945139 /nfs/dbraw/zinc/94/51/39/435945139.db2.gz FNGCNYROTRJDRU-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402362 435945143 /nfs/dbraw/zinc/94/51/43/435945143.db2.gz FNGCNYROTRJDRU-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402362 435945146 /nfs/dbraw/zinc/94/51/46/435945146.db2.gz FNGCNYROTRJDRU-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)on1 ZINC000656402362 435945151 /nfs/dbraw/zinc/94/51/51/435945151.db2.gz FNGCNYROTRJDRU-RNQOJCNYSA-N 2 2 323.440 3.017 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC000652352356 435956491 /nfs/dbraw/zinc/95/64/91/435956491.db2.gz JUWFEZGAEPEIOQ-UGSOOPFHSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC000652352356 435956498 /nfs/dbraw/zinc/95/64/98/435956498.db2.gz JUWFEZGAEPEIOQ-UGSOOPFHSA-N 2 2 315.392 3.042 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283270 436000231 /nfs/dbraw/zinc/00/02/31/436000231.db2.gz RUYJMBYJOZIQMO-ZACQAIPSSA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691084 436010406 /nfs/dbraw/zinc/01/04/06/436010406.db2.gz CIMPMPPMVNDUKV-DOMZBBRYSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691084 436010409 /nfs/dbraw/zinc/01/04/09/436010409.db2.gz CIMPMPPMVNDUKV-DOMZBBRYSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693632 436013221 /nfs/dbraw/zinc/01/32/21/436013221.db2.gz BYOCCMWEOMFDOA-GOEBONIOSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693632 436013226 /nfs/dbraw/zinc/01/32/26/436013226.db2.gz BYOCCMWEOMFDOA-GOEBONIOSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693632 436013231 /nfs/dbraw/zinc/01/32/31/436013231.db2.gz BYOCCMWEOMFDOA-GOEBONIOSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693632 436013235 /nfs/dbraw/zinc/01/32/35/436013235.db2.gz BYOCCMWEOMFDOA-GOEBONIOSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700639 436014252 /nfs/dbraw/zinc/01/42/52/436014252.db2.gz QUEBPWSBDUALDS-RBUKOAKNSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700639 436014256 /nfs/dbraw/zinc/01/42/56/436014256.db2.gz QUEBPWSBDUALDS-RBUKOAKNSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700639 436014259 /nfs/dbraw/zinc/01/42/59/436014259.db2.gz QUEBPWSBDUALDS-RBUKOAKNSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000656700639 436014261 /nfs/dbraw/zinc/01/42/61/436014261.db2.gz QUEBPWSBDUALDS-RBUKOAKNSA-N 2 2 314.473 3.081 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1nc2c(s1)CCCC2 ZINC000650754115 436018802 /nfs/dbraw/zinc/01/88/02/436018802.db2.gz BKCLKQDVLWNRJE-LLVKDONJSA-N 2 2 319.449 3.471 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1c[nH+]cc2c1CCCC2 ZINC000656775795 436038720 /nfs/dbraw/zinc/03/87/20/436038720.db2.gz AWQYNKZYLIEYAM-UHFFFAOYSA-N 2 2 319.412 3.462 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c[nH+]1 ZINC000656786735 436044452 /nfs/dbraw/zinc/04/44/52/436044452.db2.gz PXUUEIXNFYGRQZ-IBGZPJMESA-N 3 2 301.478 3.034 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647280944 435996782 /nfs/dbraw/zinc/99/67/82/435996782.db2.gz OIOANTAISQSXIM-HOTGVXAUSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647280944 435996786 /nfs/dbraw/zinc/99/67/86/435996786.db2.gz OIOANTAISQSXIM-HOTGVXAUSA-N 2 2 304.482 3.135 20 0 DGADLP c1cn(CCC[N@H+]2[C@@H]3CC[C@H]2CC(Oc2ccccc2)C3)c[nH+]1 ZINC000661556222 436106286 /nfs/dbraw/zinc/10/62/86/436106286.db2.gz LQDUKVAAOPTCQT-JJTKIYQPSA-N 2 2 311.429 3.348 20 0 DGADLP c1cn(CCC[N@@H+]2[C@@H]3CC[C@H]2CC(Oc2ccccc2)C3)c[nH+]1 ZINC000661556222 436106291 /nfs/dbraw/zinc/10/62/91/436106291.db2.gz LQDUKVAAOPTCQT-JJTKIYQPSA-N 2 2 311.429 3.348 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479602 436059382 /nfs/dbraw/zinc/05/93/82/436059382.db2.gz MNNPACDBHVJSKR-TZMCWYRMSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479602 436059385 /nfs/dbraw/zinc/05/93/85/436059385.db2.gz MNNPACDBHVJSKR-TZMCWYRMSA-N 2 2 313.367 3.064 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480191 436060687 /nfs/dbraw/zinc/06/06/87/436060687.db2.gz GLPNDIZMTWKGQY-JKSUJKDBSA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480191 436060691 /nfs/dbraw/zinc/06/06/91/436060691.db2.gz GLPNDIZMTWKGQY-JKSUJKDBSA-N 2 2 312.461 3.020 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480283 436060784 /nfs/dbraw/zinc/06/07/84/436060784.db2.gz IOFMIAZZDGRTNS-PBHICJAKSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480283 436060786 /nfs/dbraw/zinc/06/07/86/436060786.db2.gz IOFMIAZZDGRTNS-PBHICJAKSA-N 2 2 308.853 3.313 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479651 436061606 /nfs/dbraw/zinc/06/16/06/436061606.db2.gz OIJFUTASDGOPTJ-TZMCWYRMSA-N 2 2 319.449 3.399 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479651 436061610 /nfs/dbraw/zinc/06/16/10/436061610.db2.gz OIJFUTASDGOPTJ-TZMCWYRMSA-N 2 2 319.449 3.399 20 0 DGADLP Brc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482848 436064140 /nfs/dbraw/zinc/06/41/40/436064140.db2.gz CRDVIGADARKGDO-UHFFFAOYSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482848 436064146 /nfs/dbraw/zinc/06/41/46/436064146.db2.gz CRDVIGADARKGDO-UHFFFAOYSA-N 2 2 309.251 3.166 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000647495767 436065318 /nfs/dbraw/zinc/06/53/18/436065318.db2.gz AJFFMJZPUIMWIE-UHFFFAOYSA-N 2 2 324.428 3.017 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647504273 436069714 /nfs/dbraw/zinc/06/97/14/436069714.db2.gz NQHXOFQLABPVNE-INIZCTEOSA-N 2 2 324.428 3.017 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647504273 436069717 /nfs/dbraw/zinc/06/97/17/436069717.db2.gz NQHXOFQLABPVNE-INIZCTEOSA-N 2 2 324.428 3.017 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000647508619 436069757 /nfs/dbraw/zinc/06/97/57/436069757.db2.gz VAFXFVSJXDJIOE-OXJNMPFZSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000647508619 436069760 /nfs/dbraw/zinc/06/97/60/436069760.db2.gz VAFXFVSJXDJIOE-OXJNMPFZSA-N 2 2 310.441 3.210 20 0 DGADLP CCOc1cc(C[NH+]2CCC(C)([NH3+])CC2)cc(Cl)c1OC ZINC000647531149 436073382 /nfs/dbraw/zinc/07/33/82/436073382.db2.gz DHYPKZMNYLCXLI-UHFFFAOYSA-N 2 2 312.841 3.061 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543434 436079171 /nfs/dbraw/zinc/07/91/71/436079171.db2.gz NIBULINFVSVODJ-OALUTQOASA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543434 436079175 /nfs/dbraw/zinc/07/91/75/436079175.db2.gz NIBULINFVSVODJ-OALUTQOASA-N 3 2 301.478 3.034 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543976 436079245 /nfs/dbraw/zinc/07/92/45/436079245.db2.gz VCJCIFYIZUMHJS-RTBURBONSA-N 3 2 324.472 3.084 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2)c[nH+]1 ZINC000647543976 436079247 /nfs/dbraw/zinc/07/92/47/436079247.db2.gz VCJCIFYIZUMHJS-RTBURBONSA-N 3 2 324.472 3.084 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000647550731 436082709 /nfs/dbraw/zinc/08/27/09/436082709.db2.gz FANGDGOEYAEGCL-ZFWWWQNUSA-N 2 2 315.392 3.101 20 0 DGADLP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553903 436083679 /nfs/dbraw/zinc/08/36/79/436083679.db2.gz MRBNYAWSWPOQSY-GOSISDBHSA-N 2 2 300.446 3.240 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000657314675 436131303 /nfs/dbraw/zinc/13/13/03/436131303.db2.gz ZKLHERZPENOOIM-ZIAGYGMSSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000657314675 436131308 /nfs/dbraw/zinc/13/13/08/436131308.db2.gz ZKLHERZPENOOIM-ZIAGYGMSSA-N 2 2 314.351 3.144 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000657334413 436142482 /nfs/dbraw/zinc/14/24/82/436142482.db2.gz ZOKRRWZZSPPGBL-HNNXBMFYSA-N 2 2 301.434 3.406 20 0 DGADLP Cn1ncc(C2CCC2)c1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000657331707 436143620 /nfs/dbraw/zinc/14/36/20/436143620.db2.gz MJLFQUMSVVGUKN-UHFFFAOYSA-N 2 2 323.444 3.286 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)n1C ZINC000657336683 436144707 /nfs/dbraw/zinc/14/47/07/436144707.db2.gz XUOCECFRSIZWRH-UHFFFAOYSA-N 2 2 302.809 3.196 20 0 DGADLP FCC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000661687522 436146490 /nfs/dbraw/zinc/14/64/90/436146490.db2.gz CDTCYNWNOXTHQW-QGZVFWFLSA-N 2 2 320.452 3.090 20 0 DGADLP FCC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000661687522 436146496 /nfs/dbraw/zinc/14/64/96/436146496.db2.gz CDTCYNWNOXTHQW-QGZVFWFLSA-N 2 2 320.452 3.090 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000651238834 436146793 /nfs/dbraw/zinc/14/67/93/436146793.db2.gz HOKMPXMQMBAVKA-WBVHZDCISA-N 2 2 323.444 3.271 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000657347667 436150803 /nfs/dbraw/zinc/15/08/03/436150803.db2.gz DUGPHOKROZGOMP-INIZCTEOSA-N 2 2 313.470 3.445 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657347667 436150809 /nfs/dbraw/zinc/15/08/09/436150809.db2.gz DUGPHOKROZGOMP-INIZCTEOSA-N 2 2 313.470 3.445 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc2ccc(F)c(F)c2n1)Cn1cc[nH+]c1 ZINC000647925226 436151779 /nfs/dbraw/zinc/15/17/79/436151779.db2.gz XJWDIIJEGVAJJL-LBPRGKRZSA-N 2 2 316.355 3.135 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000651130761 436116781 /nfs/dbraw/zinc/11/67/81/436116781.db2.gz KIAZYUZUTOSUHF-NSISKUIASA-N 2 2 312.457 3.044 20 0 DGADLP c1[nH+]c2n(c1CNCC1([NH+]3CCCCC3)CCCCC1)CCC2 ZINC000657288926 436117307 /nfs/dbraw/zinc/11/73/07/436117307.db2.gz HQWVZAFJLZLMNE-UHFFFAOYSA-N 2 2 316.493 3.108 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657293722 436119796 /nfs/dbraw/zinc/11/97/96/436119796.db2.gz UOJUXZVXMZUSAF-GFCCVEGCSA-N 2 2 300.368 3.458 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657293722 436119801 /nfs/dbraw/zinc/11/98/01/436119801.db2.gz UOJUXZVXMZUSAF-GFCCVEGCSA-N 2 2 300.368 3.458 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647955059 436157119 /nfs/dbraw/zinc/15/71/19/436157119.db2.gz OFAJQXMKLICWTR-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647955059 436157123 /nfs/dbraw/zinc/15/71/23/436157123.db2.gz OFAJQXMKLICWTR-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000657352559 436155215 /nfs/dbraw/zinc/15/52/15/436155215.db2.gz JDCCPZHYNRRSRL-ZDUSSCGKSA-N 2 2 319.474 3.318 20 0 DGADLP C[C@]1(F)C[NH2+]CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647981876 436166931 /nfs/dbraw/zinc/16/69/31/436166931.db2.gz QGDQSWOPWFXAHR-HNNXBMFYSA-N 2 2 318.358 3.271 20 0 DGADLP Cc1[nH]c(CNC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[nH+]c1C ZINC000657381722 436169402 /nfs/dbraw/zinc/16/94/02/436169402.db2.gz CAEONSBWXJIKOG-HNNXBMFYSA-N 2 2 306.841 3.072 20 0 DGADLP Cc1cc(NC[C@H](CC(C)C)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301062871 301363300 /nfs/dbraw/zinc/36/33/00/301363300.db2.gz FJGHJXBHZRUHNP-INIZCTEOSA-N 2 2 320.481 3.067 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657523764 436234483 /nfs/dbraw/zinc/23/44/83/436234483.db2.gz IPGIYUSFDHNUKJ-BHIYHBOVSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000657523764 436234488 /nfs/dbraw/zinc/23/44/88/436234488.db2.gz IPGIYUSFDHNUKJ-BHIYHBOVSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523764 436234491 /nfs/dbraw/zinc/23/44/91/436234491.db2.gz IPGIYUSFDHNUKJ-BHIYHBOVSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2C(C)(C)C)C[NH+]1Cc1ccccc1 ZINC000657523764 436234494 /nfs/dbraw/zinc/23/44/94/436234494.db2.gz IPGIYUSFDHNUKJ-BHIYHBOVSA-N 2 2 315.505 3.112 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000657525979 436234870 /nfs/dbraw/zinc/23/48/70/436234870.db2.gz ZFPKLUYVWJBOSS-LBPRGKRZSA-N 2 2 316.367 3.390 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000657525979 436234874 /nfs/dbraw/zinc/23/48/74/436234874.db2.gz ZFPKLUYVWJBOSS-LBPRGKRZSA-N 2 2 316.367 3.390 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CO1 ZINC000657415020 436188394 /nfs/dbraw/zinc/18/83/94/436188394.db2.gz ZCGRLZBPPYPKAX-SCTDSRPQSA-N 2 2 313.445 3.398 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CCC2 ZINC000657415170 436189262 /nfs/dbraw/zinc/18/92/62/436189262.db2.gz APYQVTARUMTXMP-QAPCUYQASA-N 2 2 311.429 3.087 20 0 DGADLP CC(C)n1cc[nH+]c1CN[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000657429761 436197411 /nfs/dbraw/zinc/19/74/11/436197411.db2.gz VVZARPUEKBRFQW-MRXNPFEDSA-N 2 2 300.450 3.074 20 0 DGADLP CC(C)n1cc[nH+]c1CN[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000657429761 436197416 /nfs/dbraw/zinc/19/74/16/436197416.db2.gz VVZARPUEKBRFQW-MRXNPFEDSA-N 2 2 300.450 3.074 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c[nH+]1 ZINC000648068387 436200775 /nfs/dbraw/zinc/20/07/75/436200775.db2.gz VONROFIIPHQKOL-RTWAWAEBSA-N 3 2 323.484 3.258 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c[nH+]1 ZINC000648068387 436200783 /nfs/dbraw/zinc/20/07/83/436200783.db2.gz VONROFIIPHQKOL-RTWAWAEBSA-N 3 2 323.484 3.258 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C(C)C)C3(CO)CC=CC3)n2c1 ZINC000648069948 436203092 /nfs/dbraw/zinc/20/30/92/436203092.db2.gz UERXSWZFZQANQN-GOSISDBHSA-N 2 2 313.445 3.086 20 0 DGADLP c1ccc(NC[C@@H]2CC[N@@H+](CCc3noc4ccccc34)C2)[nH+]c1 ZINC000653558089 436203382 /nfs/dbraw/zinc/20/33/82/436203382.db2.gz ULITTYPBKAJRSK-HNNXBMFYSA-N 2 2 322.412 3.199 20 0 DGADLP c1ccc(NC[C@@H]2CC[N@H+](CCc3noc4ccccc34)C2)[nH+]c1 ZINC000653558089 436203385 /nfs/dbraw/zinc/20/33/85/436203385.db2.gz ULITTYPBKAJRSK-HNNXBMFYSA-N 2 2 322.412 3.199 20 0 DGADLP Cc1ccc(OCCC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000653592119 436218521 /nfs/dbraw/zinc/21/85/21/436218521.db2.gz MRFGWRJXMUUQRR-QGZVFWFLSA-N 2 2 313.445 3.295 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CC2 ZINC000657482791 436221083 /nfs/dbraw/zinc/22/10/83/436221083.db2.gz AVVVIXUMVFMORK-LBPRGKRZSA-N 2 2 307.319 3.024 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2cc(F)ccc2O1 ZINC000657501758 436230329 /nfs/dbraw/zinc/23/03/29/436230329.db2.gz YBIZKUJGRPJYHS-OAHLLOKOSA-N 2 2 315.392 3.360 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000657506674 436231907 /nfs/dbraw/zinc/23/19/07/436231907.db2.gz PRNWTCCTYFKRRT-HOTGVXAUSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000657506674 436231911 /nfs/dbraw/zinc/23/19/11/436231911.db2.gz PRNWTCCTYFKRRT-HOTGVXAUSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000657506675 436231983 /nfs/dbraw/zinc/23/19/83/436231983.db2.gz PRNWTCCTYFKRRT-HZPDHXFCSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000657506675 436231988 /nfs/dbraw/zinc/23/19/88/436231988.db2.gz PRNWTCCTYFKRRT-HZPDHXFCSA-N 2 2 301.459 3.403 20 0 DGADLP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644843 436232198 /nfs/dbraw/zinc/23/21/98/436232198.db2.gz SJTVGPGDTGJZPJ-NSHDSACASA-N 2 2 308.788 3.085 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154812 436289313 /nfs/dbraw/zinc/28/93/13/436289313.db2.gz CMEJFMSFLQDXMR-IBGZPJMESA-N 2 2 316.489 3.015 20 0 DGADLP CC(C)(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154812 436289317 /nfs/dbraw/zinc/28/93/17/436289317.db2.gz CMEJFMSFLQDXMR-IBGZPJMESA-N 2 2 316.489 3.015 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000657741405 436290512 /nfs/dbraw/zinc/29/05/12/436290512.db2.gz CRVPVGWIZUVDFH-MRXNPFEDSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000657741405 436290515 /nfs/dbraw/zinc/29/05/15/436290515.db2.gz CRVPVGWIZUVDFH-MRXNPFEDSA-N 2 2 303.837 3.462 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855348 436294814 /nfs/dbraw/zinc/29/48/14/436294814.db2.gz NQRQEWCOQREBPW-SNVBAGLBSA-N 2 2 304.768 3.173 20 0 DGADLP Cc1ccc2oc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC000657751529 436295120 /nfs/dbraw/zinc/29/51/20/436295120.db2.gz RPNKPBUEIUTKRL-QGZVFWFLSA-N 2 2 314.429 3.084 20 0 DGADLP CC(C)[C@H](O)[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000657749215 436295331 /nfs/dbraw/zinc/29/53/31/436295331.db2.gz ZJMABKBOIPILAN-MOPGFXCFSA-N 2 2 309.413 3.182 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C[C@H](C)O)C1CC1 ZINC000653903342 436295740 /nfs/dbraw/zinc/29/57/40/436295740.db2.gz GYPGZTJDDCPZGH-HNNXBMFYSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C[C@H](C)O)C1CC1 ZINC000653903342 436295744 /nfs/dbraw/zinc/29/57/44/436295744.db2.gz GYPGZTJDDCPZGH-HNNXBMFYSA-N 2 2 315.461 3.360 20 0 DGADLP CC(C)CC1([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000662066877 436265149 /nfs/dbraw/zinc/26/51/49/436265149.db2.gz SWZHGRWSANQABJ-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC1([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000662066877 436265153 /nfs/dbraw/zinc/26/51/53/436265153.db2.gz SWZHGRWSANQABJ-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCOC(C)(C)C ZINC000657637975 436266114 /nfs/dbraw/zinc/26/61/14/436266114.db2.gz NZARQJZIXVNWRU-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCOC(C)(C)C ZINC000657637975 436266119 /nfs/dbraw/zinc/26/61/19/436266119.db2.gz NZARQJZIXVNWRU-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](OC4CCC4)C3)cc2)c[nH+]1 ZINC000653815289 436271434 /nfs/dbraw/zinc/27/14/34/436271434.db2.gz QJTBYQMDFZRVIH-LJQANCHMSA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](OC4CCC4)C3)cc2)c[nH+]1 ZINC000653815289 436271436 /nfs/dbraw/zinc/27/14/36/436271436.db2.gz QJTBYQMDFZRVIH-LJQANCHMSA-N 2 2 311.429 3.406 20 0 DGADLP COc1ccnc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1F ZINC000657675257 436276204 /nfs/dbraw/zinc/27/62/04/436276204.db2.gz ZOQYJJRHEBOTGJ-UHFFFAOYSA-N 2 2 321.440 3.116 20 0 DGADLP Cc1cccn2c(CN[C@H]3CC[N@@H+](C4CCCCC4)C3)c[nH+]c12 ZINC000657678452 436276774 /nfs/dbraw/zinc/27/67/74/436276774.db2.gz QRPKDTYBKDBXGZ-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1cccn2c(CN[C@H]3CC[N@H+](C4CCCCC4)C3)c[nH+]c12 ZINC000657678452 436276777 /nfs/dbraw/zinc/27/67/77/436276777.db2.gz QRPKDTYBKDBXGZ-INIZCTEOSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1cc(Br)c(C[NH2+]Cc2c[nH+]c(C)n2C)s1 ZINC000657674260 436277762 /nfs/dbraw/zinc/27/77/62/436277762.db2.gz TVOGHPKDPFJXGG-UHFFFAOYSA-N 2 2 314.252 3.151 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770112 436279337 /nfs/dbraw/zinc/27/93/37/436279337.db2.gz LDXZFUBUXNRRFJ-DZGCQCFKSA-N 2 2 323.868 3.097 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666769902 436279482 /nfs/dbraw/zinc/27/94/82/436279482.db2.gz GVKCVGXJXZSHOW-CRAIPNDOSA-N 2 2 317.477 3.259 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000657693874 436280325 /nfs/dbraw/zinc/28/03/25/436280325.db2.gz ULLOBMHFPUJDKT-SJORKVTESA-N 2 2 302.462 3.263 20 0 DGADLP COC1([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000657931987 436342191 /nfs/dbraw/zinc/34/21/91/436342191.db2.gz NWVRIEVJSJIXIE-HOTGVXAUSA-N 2 2 317.477 3.154 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000657977976 436348728 /nfs/dbraw/zinc/34/87/28/436348728.db2.gz IXAGTZWFAWQPHL-NJAFHUGGSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000657977976 436348732 /nfs/dbraw/zinc/34/87/32/436348732.db2.gz IXAGTZWFAWQPHL-NJAFHUGGSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1)[NH+](C)C ZINC000657987064 436350844 /nfs/dbraw/zinc/35/08/44/436350844.db2.gz ZWPXCOKROQBKKS-RYRKJORJSA-N 2 2 302.462 3.287 20 0 DGADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666879676 436300021 /nfs/dbraw/zinc/30/00/21/436300021.db2.gz XCUIZRBTSCLEOM-CABZTGNLSA-N 2 2 304.768 3.029 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)C[N@@H+]1C1CC1 ZINC000657770943 436300595 /nfs/dbraw/zinc/30/05/95/436300595.db2.gz VANFCOKEOFPSGO-QWHCGFSZSA-N 2 2 301.459 3.054 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)C[N@H+]1C1CC1 ZINC000657770943 436300597 /nfs/dbraw/zinc/30/05/97/436300597.db2.gz VANFCOKEOFPSGO-QWHCGFSZSA-N 2 2 301.459 3.054 20 0 DGADLP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000657814700 436314621 /nfs/dbraw/zinc/31/46/21/436314621.db2.gz BTGDOONTHWAXOB-MJGOQNOKSA-N 2 2 310.445 3.145 20 0 DGADLP CC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254309 436314927 /nfs/dbraw/zinc/31/49/27/436314927.db2.gz HBSZSJMFIJEXNU-DOMZBBRYSA-N 2 2 316.367 3.077 20 0 DGADLP CC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000662254309 436314931 /nfs/dbraw/zinc/31/49/31/436314931.db2.gz HBSZSJMFIJEXNU-DOMZBBRYSA-N 2 2 316.367 3.077 20 0 DGADLP c1csc([C@@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+]2CCCC2)c1 ZINC000657818630 436315992 /nfs/dbraw/zinc/31/59/92/436315992.db2.gz SKFCFRTWWYURJR-HUUCEWRRSA-N 2 2 306.475 3.186 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657822330 436317984 /nfs/dbraw/zinc/31/79/84/436317984.db2.gz YVPSKQJJONJGMH-UHFFFAOYSA-N 2 2 307.388 3.412 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995337 436321975 /nfs/dbraw/zinc/32/19/75/436321975.db2.gz KIVIOSXJUPAPQL-NZSAHSFTSA-N 3 2 319.537 3.294 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C(F)F ZINC000657839749 436323499 /nfs/dbraw/zinc/32/34/99/436323499.db2.gz FTHDRKNLJOSEOM-CYBMUJFWSA-N 2 2 311.420 3.315 20 0 DGADLP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000662281514 436324202 /nfs/dbraw/zinc/32/42/02/436324202.db2.gz MUTQFAFLDWRFRK-CORIIIEPSA-N 2 2 300.368 3.234 20 0 DGADLP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000662281514 436324205 /nfs/dbraw/zinc/32/42/05/436324205.db2.gz MUTQFAFLDWRFRK-CORIIIEPSA-N 2 2 300.368 3.234 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000662323658 436331134 /nfs/dbraw/zinc/33/11/34/436331134.db2.gz ONZLKBLANTZGMV-INIZCTEOSA-N 2 2 312.404 3.167 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000662323658 436331137 /nfs/dbraw/zinc/33/11/37/436331137.db2.gz ONZLKBLANTZGMV-INIZCTEOSA-N 2 2 312.404 3.167 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876212 436331249 /nfs/dbraw/zinc/33/12/49/436331249.db2.gz KSTLFBUVDHPKAC-WFASDCNBSA-N 2 2 301.459 3.431 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876212 436331251 /nfs/dbraw/zinc/33/12/51/436331251.db2.gz KSTLFBUVDHPKAC-WFASDCNBSA-N 2 2 301.459 3.431 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000657883231 436332803 /nfs/dbraw/zinc/33/28/03/436332803.db2.gz QYAYAFCKEODBPS-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000657883231 436332805 /nfs/dbraw/zinc/33/28/05/436332805.db2.gz QYAYAFCKEODBPS-WMZOPIPTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@](C)(C(F)F)O1 ZINC000662360124 436337957 /nfs/dbraw/zinc/33/79/57/436337957.db2.gz FECXRHLVNVEFMN-SUMWQHHRSA-N 2 2 321.371 3.117 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@](C)(C(F)F)O1 ZINC000662360124 436337961 /nfs/dbraw/zinc/33/79/61/436337961.db2.gz FECXRHLVNVEFMN-SUMWQHHRSA-N 2 2 321.371 3.117 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662748801 436383803 /nfs/dbraw/zinc/38/38/03/436383803.db2.gz HCYBAYWTBTZREH-UHFFFAOYSA-N 2 2 312.417 3.170 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222311 436403540 /nfs/dbraw/zinc/40/35/40/436403540.db2.gz QVFLKAIPRASATM-HYVNUMGLSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222311 436403544 /nfs/dbraw/zinc/40/35/44/436403544.db2.gz QVFLKAIPRASATM-HYVNUMGLSA-N 2 2 323.431 3.317 20 0 DGADLP c1c[nH+]c([C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229901 436407485 /nfs/dbraw/zinc/40/74/85/436407485.db2.gz ULXDIUNVUSGGPV-MJGOQNOKSA-N 2 2 324.472 3.496 20 0 DGADLP c1c[nH+]c([C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000658229901 436407488 /nfs/dbraw/zinc/40/74/88/436407488.db2.gz ULXDIUNVUSGGPV-MJGOQNOKSA-N 2 2 324.472 3.496 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1Cc1ccccc1 ZINC000658014517 436354425 /nfs/dbraw/zinc/35/44/25/436354425.db2.gz WOZXNCNTQRHJKH-WMLDXEAASA-N 2 2 308.416 3.327 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1Cc1ccccc1 ZINC000658014517 436354427 /nfs/dbraw/zinc/35/44/27/436354427.db2.gz WOZXNCNTQRHJKH-WMLDXEAASA-N 2 2 308.416 3.327 20 0 DGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020839 436356220 /nfs/dbraw/zinc/35/62/20/436356220.db2.gz ZCYQAIUGDSZZSQ-KSSFIOAISA-N 2 2 309.457 3.367 20 0 DGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020839 436356224 /nfs/dbraw/zinc/35/62/24/436356224.db2.gz ZCYQAIUGDSZZSQ-KSSFIOAISA-N 2 2 309.457 3.367 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055417 436359868 /nfs/dbraw/zinc/35/98/68/436359868.db2.gz IVJDWOGVTGAUBA-IEBWSBKVSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055417 436359869 /nfs/dbraw/zinc/35/98/69/436359869.db2.gz IVJDWOGVTGAUBA-IEBWSBKVSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CCC2)c1 ZINC000658323646 436429899 /nfs/dbraw/zinc/42/98/99/436429899.db2.gz OIXWGSVZBCNHOY-RDTXWAMCSA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc(C2([NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)CCC2)c1 ZINC000658323646 436429903 /nfs/dbraw/zinc/42/99/03/436429903.db2.gz OIXWGSVZBCNHOY-RDTXWAMCSA-N 2 2 300.446 3.147 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000658337582 436434945 /nfs/dbraw/zinc/43/49/45/436434945.db2.gz VHSIMMCLBJHGHD-KANFNMMFSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccn1C ZINC000658337582 436434947 /nfs/dbraw/zinc/43/49/47/436434947.db2.gz VHSIMMCLBJHGHD-KANFNMMFSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000658360567 436439050 /nfs/dbraw/zinc/43/90/50/436439050.db2.gz KROWXOYHXMEVDO-OVQGTLEDSA-N 2 2 324.468 3.219 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000658360567 436439057 /nfs/dbraw/zinc/43/90/57/436439057.db2.gz KROWXOYHXMEVDO-OVQGTLEDSA-N 2 2 324.468 3.219 20 0 DGADLP c1ccc(Nc2cc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000663398364 436453500 /nfs/dbraw/zinc/45/35/00/436453500.db2.gz UKKAEBGUFKNRTP-CVEARBPZSA-N 2 2 309.417 3.259 20 0 DGADLP c1ccc(Nc2cc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000663398364 436453503 /nfs/dbraw/zinc/45/35/03/436453503.db2.gz UKKAEBGUFKNRTP-CVEARBPZSA-N 2 2 309.417 3.259 20 0 DGADLP CCn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000663467885 436464587 /nfs/dbraw/zinc/46/45/87/436464587.db2.gz PHZBRBQAESFSRK-QAPCUYQASA-N 2 2 304.482 3.036 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286791 436418364 /nfs/dbraw/zinc/41/83/64/436418364.db2.gz VDMVNIGEHIQZAY-ZYSHUDEJSA-N 2 2 320.452 3.367 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286791 436418367 /nfs/dbraw/zinc/41/83/67/436418367.db2.gz VDMVNIGEHIQZAY-ZYSHUDEJSA-N 2 2 320.452 3.367 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286794 436418599 /nfs/dbraw/zinc/41/85/99/436418599.db2.gz VEYFOXVXAJKHCC-QFBILLFUSA-N 2 2 324.472 3.324 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286794 436418601 /nfs/dbraw/zinc/41/86/01/436418601.db2.gz VEYFOXVXAJKHCC-QFBILLFUSA-N 2 2 324.472 3.324 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286795 436419031 /nfs/dbraw/zinc/41/90/31/436419031.db2.gz VEYFOXVXAJKHCC-VQIMIIECSA-N 2 2 324.472 3.324 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286795 436419037 /nfs/dbraw/zinc/41/90/37/436419037.db2.gz VEYFOXVXAJKHCC-VQIMIIECSA-N 2 2 324.472 3.324 20 0 DGADLP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658293337 436420426 /nfs/dbraw/zinc/42/04/26/436420426.db2.gz FSEXIDGNYHUSJI-RDJZCZTQSA-N 2 2 318.461 3.136 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)o1 ZINC000658294863 436420447 /nfs/dbraw/zinc/42/04/47/436420447.db2.gz PRKSSYXDFBCVAR-MJGOQNOKSA-N 2 2 318.461 3.272 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000658296280 436420565 /nfs/dbraw/zinc/42/05/65/436420565.db2.gz RKGNREKHEXKNCI-SJORKVTESA-N 2 2 308.491 3.432 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000658295714 436421132 /nfs/dbraw/zinc/42/11/32/436421132.db2.gz VHMSRWKASRZODM-CZUORRHYSA-N 2 2 320.502 3.141 20 0 DGADLP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658293338 436421170 /nfs/dbraw/zinc/42/11/70/436421170.db2.gz FSEXIDGNYHUSJI-WBVHZDCISA-N 2 2 318.461 3.136 20 0 DGADLP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658296396 436422148 /nfs/dbraw/zinc/42/21/48/436422148.db2.gz ZNHAPMWJYAOONU-PXNSSMCTSA-N 2 2 316.489 3.159 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)c2[nH+]ccc3c(N)cccc32)c1C ZINC000663474594 436468534 /nfs/dbraw/zinc/46/85/34/436468534.db2.gz LISZMWPXTGIEOK-UHFFFAOYSA-N 2 2 322.412 3.474 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000663508495 436471555 /nfs/dbraw/zinc/47/15/55/436471555.db2.gz BCSCKKSAIJRNDH-QMMMGPOBSA-N 2 2 314.273 3.422 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000663511588 436473145 /nfs/dbraw/zinc/47/31/45/436473145.db2.gz XKFRHDZSALDMLU-KRWDZBQOSA-N 2 2 312.457 3.396 20 0 DGADLP Cc1cc(CO)cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)[nH+]1 ZINC000663684930 436490828 /nfs/dbraw/zinc/49/08/28/436490828.db2.gz YHPIAHWUZRRTHW-MRXNPFEDSA-N 2 2 319.836 3.251 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000663730092 436497493 /nfs/dbraw/zinc/49/74/93/436497493.db2.gz WZEWAHRMAHKMTE-JSGCOSHPSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000663730092 436497497 /nfs/dbraw/zinc/49/74/97/436497497.db2.gz WZEWAHRMAHKMTE-JSGCOSHPSA-N 2 2 313.367 3.329 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000660010079 436579131 /nfs/dbraw/zinc/57/91/31/436579131.db2.gz FONMDLVXLLIUHM-ZFWWWQNUSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000660010079 436579133 /nfs/dbraw/zinc/57/91/33/436579133.db2.gz FONMDLVXLLIUHM-ZFWWWQNUSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1Cl ZINC000660010079 436579135 /nfs/dbraw/zinc/57/91/35/436579135.db2.gz FONMDLVXLLIUHM-ZFWWWQNUSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010079 436579137 /nfs/dbraw/zinc/57/91/37/436579137.db2.gz FONMDLVXLLIUHM-ZFWWWQNUSA-N 2 2 308.853 3.265 20 0 DGADLP CCN(Cc1cn(C)c[nH+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659868584 436551167 /nfs/dbraw/zinc/55/11/67/436551167.db2.gz PKCMUOGRQLNKJS-LPHOPBHVSA-N 2 2 312.461 3.078 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000659931221 436561677 /nfs/dbraw/zinc/56/16/77/436561677.db2.gz LOCJZJNLHQSUOY-UHFFFAOYSA-N 2 2 304.478 3.089 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000659931221 436561678 /nfs/dbraw/zinc/56/16/78/436561678.db2.gz LOCJZJNLHQSUOY-UHFFFAOYSA-N 2 2 304.478 3.089 20 0 DGADLP Cc1[nH+]ccc(NCc2ccc[nH+]c2N2CCCC2)c1Cl ZINC000664191544 436572602 /nfs/dbraw/zinc/57/26/02/436572602.db2.gz LLYAMWHCFBEEDY-UHFFFAOYSA-N 2 2 302.809 3.073 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000655687122 436574142 /nfs/dbraw/zinc/57/41/42/436574142.db2.gz VPEXYHNEWHEKGR-WOJBJXKFSA-N 2 2 314.473 3.289 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2o1 ZINC000655684194 436574379 /nfs/dbraw/zinc/57/43/79/436574379.db2.gz ZQPCBHJRSYWQFM-RHSMWYFYSA-N 2 2 314.429 3.337 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655684744 436574404 /nfs/dbraw/zinc/57/44/04/436574404.db2.gz VPWWFEXXRNVYSH-KXBFYZLASA-N 2 2 302.462 3.153 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989462 436574971 /nfs/dbraw/zinc/57/49/71/436574971.db2.gz LMACVAYHYWOFAI-ZWKOTPCHSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989462 436574975 /nfs/dbraw/zinc/57/49/75/436574975.db2.gz LMACVAYHYWOFAI-ZWKOTPCHSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989462 436574979 /nfs/dbraw/zinc/57/49/79/436574979.db2.gz LMACVAYHYWOFAI-ZWKOTPCHSA-N 2 2 308.441 3.054 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000659989462 436574982 /nfs/dbraw/zinc/57/49/82/436574982.db2.gz LMACVAYHYWOFAI-ZWKOTPCHSA-N 2 2 308.441 3.054 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCc3nsc4ccccc34)C2)[nH]1 ZINC000660078265 436586535 /nfs/dbraw/zinc/58/65/35/436586535.db2.gz SWURIWYJHQYXBI-ZDUSSCGKSA-N 2 2 312.442 3.442 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCc3nsc4ccccc34)C2)[nH]1 ZINC000660078265 436586537 /nfs/dbraw/zinc/58/65/37/436586537.db2.gz SWURIWYJHQYXBI-ZDUSSCGKSA-N 2 2 312.442 3.442 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)co1 ZINC000660127495 436593856 /nfs/dbraw/zinc/59/38/56/436593856.db2.gz NUTHXRVTDRGOEC-MRXNPFEDSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)co1 ZINC000660127495 436593859 /nfs/dbraw/zinc/59/38/59/436593859.db2.gz NUTHXRVTDRGOEC-MRXNPFEDSA-N 2 2 310.401 3.306 20 0 DGADLP c1ccc(COCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000660148274 436595366 /nfs/dbraw/zinc/59/53/66/436595366.db2.gz OBSFNMLEERHSLL-UHFFFAOYSA-N 2 2 311.429 3.175 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)N[C@@H](C)c1[nH+]ccn1C)[NH+](C)C ZINC000443195650 302201712 /nfs/dbraw/zinc/20/17/12/302201712.db2.gz JCTNJMWEESNICP-VYDXJSESSA-N 2 2 300.450 3.071 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000281281287 302244312 /nfs/dbraw/zinc/24/43/12/302244312.db2.gz PWNHAAUJCNMTQM-GVDBMIGSSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000281281287 302244316 /nfs/dbraw/zinc/24/43/16/302244316.db2.gz PWNHAAUJCNMTQM-GVDBMIGSSA-N 2 2 301.478 3.489 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000134054698 312682164 /nfs/dbraw/zinc/68/21/64/312682164.db2.gz XRTSQFAOVHWPQT-APWZRJJASA-N 2 2 304.478 3.474 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000528728513 313066997 /nfs/dbraw/zinc/06/69/97/313066997.db2.gz OVXICEDNJNUXBR-IBGZPJMESA-N 2 2 314.473 3.251 20 0 DGADLP Cc1cc(Cl)ccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727437 313067268 /nfs/dbraw/zinc/06/72/68/313067268.db2.gz QLZDPUBJSKTXPK-UHFFFAOYSA-N 2 2 322.880 3.335 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000528774812 313081007 /nfs/dbraw/zinc/08/10/07/313081007.db2.gz NPSXLHRSQHGEKX-QGZVFWFLSA-N 2 2 301.409 3.370 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000528774812 313081011 /nfs/dbraw/zinc/08/10/11/313081011.db2.gz NPSXLHRSQHGEKX-QGZVFWFLSA-N 2 2 301.409 3.370 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529095159 313140856 /nfs/dbraw/zinc/14/08/56/313140856.db2.gz VDWOBBLRTPNQHZ-INIZCTEOSA-N 2 2 316.449 3.227 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529095159 313140859 /nfs/dbraw/zinc/14/08/59/313140859.db2.gz VDWOBBLRTPNQHZ-INIZCTEOSA-N 2 2 316.449 3.227 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(-c2ccccc2)nn1C ZINC000530216562 313341528 /nfs/dbraw/zinc/34/15/28/313341528.db2.gz QLYHJEHQDMOJGW-RDTXWAMCSA-N 2 2 310.445 3.022 20 0 DGADLP Fc1ccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000540753444 313974790 /nfs/dbraw/zinc/97/47/90/313974790.db2.gz OHYWGXOFMLHBGK-UHFFFAOYSA-N 2 2 311.404 3.468 20 0 DGADLP COCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C)o1 ZINC000541846627 314041550 /nfs/dbraw/zinc/04/15/50/314041550.db2.gz UXEWTNVHBPMWQS-QGZVFWFLSA-N 2 2 306.450 3.130 20 0 DGADLP CCc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000541889589 314046588 /nfs/dbraw/zinc/04/65/88/314046588.db2.gz SPNQEEPCLFNDTL-RDJZCZTQSA-N 2 2 313.445 3.237 20 0 DGADLP CCc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000541889589 314046589 /nfs/dbraw/zinc/04/65/89/314046589.db2.gz SPNQEEPCLFNDTL-RDJZCZTQSA-N 2 2 313.445 3.237 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482606 314078396 /nfs/dbraw/zinc/07/83/96/314078396.db2.gz OGMPMJOIBXKUQG-MLYOOKFZSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482606 314078397 /nfs/dbraw/zinc/07/83/97/314078397.db2.gz OGMPMJOIBXKUQG-MLYOOKFZSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1cncnc1)C[NH+]1CCCCC1 ZINC000542670385 314090564 /nfs/dbraw/zinc/09/05/64/314090564.db2.gz GUXRLFINMVEIRJ-FXAWDEMLSA-N 2 2 324.472 3.278 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1cncnc1)C[NH+]1CCCCC1 ZINC000542670526 314090673 /nfs/dbraw/zinc/09/06/73/314090673.db2.gz GUXRLFINMVEIRJ-XLIONFOSSA-N 2 2 324.472 3.278 20 0 DGADLP Cc1nc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c2c([nH+]1)CCCC2 ZINC000542948903 314107802 /nfs/dbraw/zinc/10/78/02/314107802.db2.gz MMAMICJTSATAJK-GOSISDBHSA-N 2 2 308.429 3.262 20 0 DGADLP Cc1nc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c2c([nH+]1)CCCC2 ZINC000542948903 314107803 /nfs/dbraw/zinc/10/78/03/314107803.db2.gz MMAMICJTSATAJK-GOSISDBHSA-N 2 2 308.429 3.262 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000544581152 314201065 /nfs/dbraw/zinc/20/10/65/314201065.db2.gz GHJDMIDZZSFFEV-IBGZPJMESA-N 2 2 310.445 3.030 20 0 DGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc2)c1 ZINC000546568681 314312103 /nfs/dbraw/zinc/31/21/03/314312103.db2.gz HHJSDVDXCJXTET-LEWJYISDSA-N 2 2 324.468 3.049 20 0 DGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc2)c1 ZINC000546568681 314312105 /nfs/dbraw/zinc/31/21/05/314312105.db2.gz HHJSDVDXCJXTET-LEWJYISDSA-N 2 2 324.468 3.049 20 0 DGADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000548972845 314487689 /nfs/dbraw/zinc/48/76/89/314487689.db2.gz ASQIVIVHSWXVAB-KSZLIROESA-N 2 2 306.494 3.047 20 0 DGADLP Fc1ccc(/C=C/C[NH2+]Cc2c[nH+]c3n2CCCC3)c(F)c1 ZINC000551220823 314554302 /nfs/dbraw/zinc/55/43/02/314554302.db2.gz HIIQBFIWTAMVBN-ONEGZZNKSA-N 2 2 303.356 3.301 20 0 DGADLP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000555254579 314717583 /nfs/dbraw/zinc/71/75/83/314717583.db2.gz MKUYZPKHHNNNNG-IRXDYDNUSA-N 2 2 308.853 3.071 20 0 DGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)cc(F)c1 ZINC000560145993 314903808 /nfs/dbraw/zinc/90/38/08/314903808.db2.gz IGGMJIQWTSYGFI-LBPRGKRZSA-N 2 2 305.372 3.391 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000562057954 314994590 /nfs/dbraw/zinc/99/45/90/314994590.db2.gz KWCCMYLBQZOMCF-HUUCEWRRSA-N 2 2 300.368 3.493 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000563305989 315101278 /nfs/dbraw/zinc/10/12/78/315101278.db2.gz XNKANNNYCJKIOU-KRWDZBQOSA-N 2 2 319.497 3.136 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000563339452 315103726 /nfs/dbraw/zinc/10/37/26/315103726.db2.gz UTQPVMZAVUPZQM-MGPUTAFESA-N 2 2 309.457 3.009 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000563352197 315105301 /nfs/dbraw/zinc/10/53/01/315105301.db2.gz GRUKKFYQDHPBAQ-GDBMZVCRSA-N 2 2 310.507 3.150 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000563352197 315105304 /nfs/dbraw/zinc/10/53/04/315105304.db2.gz GRUKKFYQDHPBAQ-GDBMZVCRSA-N 2 2 310.507 3.150 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000564464719 315177865 /nfs/dbraw/zinc/17/78/65/315177865.db2.gz AMDXYAILLSWOOK-UHFFFAOYSA-N 2 2 318.509 3.083 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000564464719 315177866 /nfs/dbraw/zinc/17/78/66/315177866.db2.gz AMDXYAILLSWOOK-UHFFFAOYSA-N 2 2 318.509 3.083 20 0 DGADLP Cn1c[nH+]cc1CCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000564464719 315177867 /nfs/dbraw/zinc/17/78/67/315177867.db2.gz AMDXYAILLSWOOK-UHFFFAOYSA-N 2 2 318.509 3.083 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565219418 315243350 /nfs/dbraw/zinc/24/33/50/315243350.db2.gz VNPCDHNEVGRPET-CRAIPNDOSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000565219418 315243353 /nfs/dbraw/zinc/24/33/53/315243353.db2.gz VNPCDHNEVGRPET-CRAIPNDOSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230092 315324347 /nfs/dbraw/zinc/32/43/47/315324347.db2.gz GNEDOXGNGGOYOJ-OXJNMPFZSA-N 3 2 309.457 3.070 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230092 315324350 /nfs/dbraw/zinc/32/43/50/315324350.db2.gz GNEDOXGNGGOYOJ-OXJNMPFZSA-N 3 2 309.457 3.070 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566735561 315370687 /nfs/dbraw/zinc/37/06/87/315370687.db2.gz BBDHCVNJKBKGMK-INIZCTEOSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566735561 315370688 /nfs/dbraw/zinc/37/06/88/315370688.db2.gz BBDHCVNJKBKGMK-INIZCTEOSA-N 2 2 311.429 3.324 20 0 DGADLP CCC[N@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000566970311 315387572 /nfs/dbraw/zinc/38/75/72/315387572.db2.gz LLYJAFALOCNCNU-KZNAEPCWSA-N 2 2 302.462 3.458 20 0 DGADLP CCC[N@@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000566970311 315387575 /nfs/dbraw/zinc/38/75/75/315387575.db2.gz LLYJAFALOCNCNU-KZNAEPCWSA-N 2 2 302.462 3.458 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000567058518 315393776 /nfs/dbraw/zinc/39/37/76/315393776.db2.gz WKCJLXGIXVVSFI-KRWDZBQOSA-N 2 2 319.836 3.080 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000567058518 315393778 /nfs/dbraw/zinc/39/37/78/315393778.db2.gz WKCJLXGIXVVSFI-KRWDZBQOSA-N 2 2 319.836 3.080 20 0 DGADLP Cc1ccc[nH+]c1CCc1noc([C@@H](C)[NH+]2CCCCCC2)n1 ZINC000567074290 315395040 /nfs/dbraw/zinc/39/50/40/315395040.db2.gz CQCWVOFFOOHYKT-OAHLLOKOSA-N 2 2 314.433 3.495 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)[C@H]1CCC[NH2+]1 ZINC000567260325 315409149 /nfs/dbraw/zinc/40/91/49/315409149.db2.gz ICVRURFXXXWCMJ-RHSMWYFYSA-N 2 2 303.450 3.023 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)ccc1OC(C)C ZINC000568273149 315498822 /nfs/dbraw/zinc/49/88/22/315498822.db2.gz LDKJGIKXCCVVHM-ZDUSSCGKSA-N 2 2 317.433 3.375 20 0 DGADLP CN(c1ccccc1)c1cc(NCC[C@H]2CCC[NH2+]C2)[nH+]cn1 ZINC000568404721 315509775 /nfs/dbraw/zinc/50/97/75/315509775.db2.gz JARALHZUBWENRG-OAHLLOKOSA-N 2 2 311.433 3.046 20 0 DGADLP Cn1cc([C@H]([NH2+]CC2([NH3+])CCCCCC2)c2ccccc2)cn1 ZINC000572510445 315798236 /nfs/dbraw/zinc/79/82/36/315798236.db2.gz JQPWUNDQEOLRCI-GOSISDBHSA-N 2 2 312.461 3.151 20 0 DGADLP Cc1ccc(OCc2nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cs2)cc1 ZINC000574877038 316010961 /nfs/dbraw/zinc/01/09/61/316010961.db2.gz GSATWFPWINKQGZ-UONOGXRCSA-N 2 2 319.474 3.246 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]CC2Cc3ccccc3C2)c[nH+]1 ZINC000574948626 316018288 /nfs/dbraw/zinc/01/82/88/316018288.db2.gz KGXFWEYJWUMRQT-UHFFFAOYSA-N 2 2 317.436 3.436 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594366 316147399 /nfs/dbraw/zinc/14/73/99/316147399.db2.gz UKENWAUIRJKZTJ-MWLCHTKSSA-N 2 2 304.768 3.253 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594366 316147402 /nfs/dbraw/zinc/14/74/02/316147402.db2.gz UKENWAUIRJKZTJ-MWLCHTKSSA-N 2 2 304.768 3.253 20 0 DGADLP COc1cc(F)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000576878965 316177245 /nfs/dbraw/zinc/17/72/45/316177245.db2.gz HOOBWTFDHFAGPA-AWEZNQCLSA-N 2 2 324.440 3.055 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000577884944 316281778 /nfs/dbraw/zinc/28/17/78/316281778.db2.gz YYGMFLWQWYYSHX-UHFFFAOYSA-N 2 2 316.489 3.279 20 0 DGADLP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C(C)(C)C)n1 ZINC000180439685 323229012 /nfs/dbraw/zinc/22/90/12/323229012.db2.gz XXZQQPCWYWBKKV-INIZCTEOSA-N 2 2 306.498 3.024 20 0 DGADLP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C(C)(C)C)n1 ZINC000180439685 323229015 /nfs/dbraw/zinc/22/90/15/323229015.db2.gz XXZQQPCWYWBKKV-INIZCTEOSA-N 2 2 306.498 3.024 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C(C)(C)C)n1 ZINC000180439685 323229017 /nfs/dbraw/zinc/22/90/17/323229017.db2.gz XXZQQPCWYWBKKV-INIZCTEOSA-N 2 2 306.498 3.024 20 0 DGADLP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C(C)(C)C)n1 ZINC000180439685 323229020 /nfs/dbraw/zinc/22/90/20/323229020.db2.gz XXZQQPCWYWBKKV-INIZCTEOSA-N 2 2 306.498 3.024 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1(C)C ZINC000181479709 323255517 /nfs/dbraw/zinc/25/55/17/323255517.db2.gz QWKDMEXKRXRLPA-ZWKOTPCHSA-N 2 2 313.445 3.225 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCC2 ZINC000181586510 323260443 /nfs/dbraw/zinc/26/04/43/323260443.db2.gz IEVWZOYGPGUAFY-DLBZAZTESA-N 2 2 313.445 3.433 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1[nH+]ccn1C)Cc1ccccc1 ZINC000182358962 323294986 /nfs/dbraw/zinc/29/49/86/323294986.db2.gz OEWNFNQFNLGREH-FUHWJXTLSA-N 2 2 314.477 3.024 20 0 DGADLP CC(C)COc1ccc(C(C)(C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000182979057 323318570 /nfs/dbraw/zinc/31/85/70/323318570.db2.gz LMPVUPOXZQUBRR-UHFFFAOYSA-N 2 2 301.434 3.443 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183033129 323321242 /nfs/dbraw/zinc/32/12/42/323321242.db2.gz BWVKQGHFDIXANQ-UHFFFAOYSA-N 2 2 318.509 3.430 20 0 DGADLP Fc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc2)nc1 ZINC000183311338 323333469 /nfs/dbraw/zinc/33/34/69/323333469.db2.gz FRZPJNWDKUOZJG-IBGZPJMESA-N 2 2 313.420 3.386 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)n1C ZINC000579259129 323845350 /nfs/dbraw/zinc/84/53/50/323845350.db2.gz LKLGOUGQUIXFJV-SSDOTTSWSA-N 2 2 304.341 3.055 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCOc2ccc(C(C)(C)C)cc2)n1C ZINC000580571860 324015226 /nfs/dbraw/zinc/01/52/26/324015226.db2.gz HBCVKCSBHCTTBW-UHFFFAOYSA-N 2 2 301.434 3.195 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000580771618 324037292 /nfs/dbraw/zinc/03/72/92/324037292.db2.gz QBQFMCKGCQAWII-MSOLQXFVSA-N 2 2 318.367 3.331 20 0 DGADLP CC[N@@H+]1CCC[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000581314864 324104009 /nfs/dbraw/zinc/10/40/09/324104009.db2.gz HWRDBYKRQXSLDV-HNNXBMFYSA-N 2 2 300.450 3.032 20 0 DGADLP CC[N@H+]1CCC[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000581314864 324104012 /nfs/dbraw/zinc/10/40/12/324104012.db2.gz HWRDBYKRQXSLDV-HNNXBMFYSA-N 2 2 300.450 3.032 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000581741518 324152732 /nfs/dbraw/zinc/15/27/32/324152732.db2.gz XCBRDISGTVLRDZ-PWIZWCRZSA-N 2 2 314.473 3.429 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000581741518 324152738 /nfs/dbraw/zinc/15/27/38/324152738.db2.gz XCBRDISGTVLRDZ-PWIZWCRZSA-N 2 2 314.473 3.429 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000582056651 324183792 /nfs/dbraw/zinc/18/37/92/324183792.db2.gz PKENGBWVKVRPGA-CVEARBPZSA-N 3 2 318.852 3.275 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000582056651 324183795 /nfs/dbraw/zinc/18/37/95/324183795.db2.gz PKENGBWVKVRPGA-CVEARBPZSA-N 2 2 318.852 3.275 20 0 DGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000582112547 324190245 /nfs/dbraw/zinc/19/02/45/324190245.db2.gz FEVHZJNSZJTFBI-SFHVURJKSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCC(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000582112547 324190247 /nfs/dbraw/zinc/19/02/47/324190247.db2.gz FEVHZJNSZJTFBI-SFHVURJKSA-N 2 2 308.510 3.390 20 0 DGADLP CCOc1ccc(Cl)cc1CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000582252320 324208474 /nfs/dbraw/zinc/20/84/74/324208474.db2.gz DCMMQFOWEFDHJK-UHFFFAOYSA-N 2 2 307.825 3.113 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)nc2c1 ZINC000582534014 324241809 /nfs/dbraw/zinc/24/18/09/324241809.db2.gz CZPMQSFINMOGPD-WMZOPIPTSA-N 2 2 320.440 3.454 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)[nH]c2c1 ZINC000582534014 324241814 /nfs/dbraw/zinc/24/18/14/324241814.db2.gz CZPMQSFINMOGPD-WMZOPIPTSA-N 2 2 320.440 3.454 20 0 DGADLP C[NH+](C)CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000582804161 324278212 /nfs/dbraw/zinc/27/82/12/324278212.db2.gz IDTGVFKTCNDMPG-ZFWWWQNUSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004968 324300890 /nfs/dbraw/zinc/30/08/90/324300890.db2.gz ODHXTVXLBPLZGW-LMCLKVLCSA-N 2 2 302.462 3.368 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004968 324300892 /nfs/dbraw/zinc/30/08/92/324300892.db2.gz ODHXTVXLBPLZGW-LMCLKVLCSA-N 2 2 302.462 3.368 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[NH2+]C(C)C)c1 ZINC000583095514 324312772 /nfs/dbraw/zinc/31/27/72/324312772.db2.gz LWSCQOJBLJNFFQ-UHFFFAOYSA-N 2 2 314.433 3.287 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(-c2ccnn2C)c1 ZINC000583612276 324376193 /nfs/dbraw/zinc/37/61/93/324376193.db2.gz PPMJHOUTYZRACF-LJQANCHMSA-N 2 2 320.440 3.185 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000583641441 324379959 /nfs/dbraw/zinc/37/99/59/324379959.db2.gz PYMPVFOFEVRPQG-GLJUWKHASA-N 2 2 300.402 3.237 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675600 324382877 /nfs/dbraw/zinc/38/28/77/324382877.db2.gz DCFZKLMDMRZCIS-WMZOPIPTSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675600 324382880 /nfs/dbraw/zinc/38/28/80/324382880.db2.gz DCFZKLMDMRZCIS-WMZOPIPTSA-N 2 2 322.880 3.154 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000584301744 332231189 /nfs/dbraw/zinc/23/11/89/332231189.db2.gz COHDPSXWYIPQSW-FQEVSTJZSA-N 2 2 316.489 3.497 20 0 DGADLP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000584301744 332231191 /nfs/dbraw/zinc/23/11/91/332231191.db2.gz COHDPSXWYIPQSW-FQEVSTJZSA-N 2 2 316.489 3.497 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1F ZINC000432409518 533848216 /nfs/dbraw/zinc/84/82/16/533848216.db2.gz ZRLYTNFPOFYKQN-KBPBESRZSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)ccc1F ZINC000432409518 533848225 /nfs/dbraw/zinc/84/82/25/533848225.db2.gz ZRLYTNFPOFYKQN-KBPBESRZSA-N 2 2 312.404 3.116 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C2 ZINC000425922321 533869783 /nfs/dbraw/zinc/86/97/83/533869783.db2.gz QUOCXVACPKBRJR-WMZOPIPTSA-N 2 2 316.489 3.263 20 0 DGADLP Cc1ccc(C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C(C)C)s1 ZINC000431088071 533906355 /nfs/dbraw/zinc/90/63/55/533906355.db2.gz CLVVPURNXBCGSK-UHFFFAOYSA-N 2 2 308.451 3.044 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C(C)C)s1 ZINC000431088071 533906361 /nfs/dbraw/zinc/90/63/61/533906361.db2.gz CLVVPURNXBCGSK-UHFFFAOYSA-N 2 2 308.451 3.044 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000415137644 533932463 /nfs/dbraw/zinc/93/24/63/533932463.db2.gz YDCLUZGSPRHXSE-PWSUYJOCSA-N 2 2 317.260 3.419 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000415137644 533932468 /nfs/dbraw/zinc/93/24/68/533932468.db2.gz YDCLUZGSPRHXSE-PWSUYJOCSA-N 2 2 317.260 3.419 20 0 DGADLP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423013312 534008862 /nfs/dbraw/zinc/00/88/62/534008862.db2.gz FNMHXLHUGKMGSM-PHKINGBFSA-N 2 2 312.816 3.039 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000443978548 534063545 /nfs/dbraw/zinc/06/35/45/534063545.db2.gz LTADTBZXTWYFBZ-MRXNPFEDSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000443978548 534063550 /nfs/dbraw/zinc/06/35/50/534063550.db2.gz LTADTBZXTWYFBZ-MRXNPFEDSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)C3(C)CC3)c2cc1C ZINC000177231300 534137280 /nfs/dbraw/zinc/13/72/80/534137280.db2.gz NVIJYBDKXOEGDJ-HOTGVXAUSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)C3(C)CC3)c2cc1C ZINC000177231300 534137287 /nfs/dbraw/zinc/13/72/87/534137287.db2.gz NVIJYBDKXOEGDJ-HOTGVXAUSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1nc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309891104 534386408 /nfs/dbraw/zinc/38/64/08/534386408.db2.gz MJMPSFVUTHXGLY-SFHVURJKSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1nc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309891104 534386418 /nfs/dbraw/zinc/38/64/18/534386418.db2.gz MJMPSFVUTHXGLY-SFHVURJKSA-N 2 2 315.486 3.453 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3cccc4c3CCCN4)CC2)[nH+]c1 ZINC000415044313 534495790 /nfs/dbraw/zinc/49/57/90/534495790.db2.gz XHOBMJSZTKTICE-UHFFFAOYSA-N 2 2 322.456 3.198 20 0 DGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000434662259 534567204 /nfs/dbraw/zinc/56/72/04/534567204.db2.gz LGBLIYDGMGOTSC-UHFFFAOYSA-N 2 2 307.850 3.387 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000157504096 521559203 /nfs/dbraw/zinc/55/92/03/521559203.db2.gz UNSJHATWJNHBIW-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000157504096 521559212 /nfs/dbraw/zinc/55/92/12/521559212.db2.gz UNSJHATWJNHBIW-UHFFFAOYSA-N 2 2 323.868 3.003 20 0 DGADLP [NH3+]CCCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430803629 534598932 /nfs/dbraw/zinc/59/89/32/534598932.db2.gz VTKQGKLMVLBMPY-UHFFFAOYSA-N 2 2 300.406 3.288 20 0 DGADLP COCc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000339200575 522970140 /nfs/dbraw/zinc/97/01/40/522970140.db2.gz TWXSVGJIIZKSOR-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP COCc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000339200575 522970155 /nfs/dbraw/zinc/97/01/55/522970155.db2.gz TWXSVGJIIZKSOR-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP COCc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000339200575 522970163 /nfs/dbraw/zinc/97/01/63/522970163.db2.gz TWXSVGJIIZKSOR-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP COCc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000339200575 522970171 /nfs/dbraw/zinc/97/01/71/522970171.db2.gz TWXSVGJIIZKSOR-UHFFFAOYSA-N 2 2 316.445 3.380 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)cc1Br)C1CCCC1 ZINC000415043616 534678058 /nfs/dbraw/zinc/67/80/58/534678058.db2.gz ASBAQXJJGCVGPJ-CQSZACIVSA-N 2 2 315.230 3.195 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccccc2)CC1 ZINC000429716269 534713058 /nfs/dbraw/zinc/71/30/58/534713058.db2.gz KEZHOJZEHWNVEB-UHFFFAOYSA-N 2 2 312.413 3.312 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)CCn2cccn2)[NH+](C)C)cc1 ZINC000157461249 524029195 /nfs/dbraw/zinc/02/91/95/524029195.db2.gz HVPTZDVEQXBTEC-VQIMIIECSA-N 2 2 314.477 3.117 20 0 DGADLP Cc1ccc([C@H](CNc2cccc(C)[nH+]2)[NH+]2CCOCC2)cc1 ZINC000157159656 525961755 /nfs/dbraw/zinc/96/17/55/525961755.db2.gz XJNFLRRWBCYTDX-SFHVURJKSA-N 2 2 311.429 3.184 20 0 DGADLP Fc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157433181 526414550 /nfs/dbraw/zinc/41/45/50/526414550.db2.gz LUBLQTLWHSGITR-MRXNPFEDSA-N 2 2 306.425 3.155 20 0 DGADLP Fc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157433181 526414554 /nfs/dbraw/zinc/41/45/54/526414554.db2.gz LUBLQTLWHSGITR-MRXNPFEDSA-N 2 2 306.425 3.155 20 0 DGADLP Brc1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC000415078085 526646043 /nfs/dbraw/zinc/64/60/43/526646043.db2.gz IFJLHVXTXKEJSW-OAHLLOKOSA-N 2 2 323.278 3.212 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000431064366 527259045 /nfs/dbraw/zinc/25/90/45/527259045.db2.gz DCXUCLPGERTQLM-UHFFFAOYSA-N 2 2 314.433 3.066 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccccc2)CC2CCC2)n1 ZINC000431064366 527259048 /nfs/dbraw/zinc/25/90/48/527259048.db2.gz DCXUCLPGERTQLM-UHFFFAOYSA-N 2 2 314.433 3.066 20 0 DGADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000431104498 527261499 /nfs/dbraw/zinc/26/14/99/527261499.db2.gz GFYLCGQXRGMIAX-OAHLLOKOSA-N 2 2 318.396 3.034 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000295032256 527276901 /nfs/dbraw/zinc/27/69/01/527276901.db2.gz NEDDZTRIUGACMC-KRWDZBQOSA-N 2 2 309.413 3.218 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000295032256 527276902 /nfs/dbraw/zinc/27/69/02/527276902.db2.gz NEDDZTRIUGACMC-KRWDZBQOSA-N 2 2 309.413 3.218 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1ccc(F)cc1 ZINC000435534004 527898160 /nfs/dbraw/zinc/89/81/60/527898160.db2.gz LCXUNFCAOYASBJ-CVEARBPZSA-N 2 2 308.466 3.476 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1ccc(F)cc1 ZINC000435534004 527898163 /nfs/dbraw/zinc/89/81/63/527898163.db2.gz LCXUNFCAOYASBJ-CVEARBPZSA-N 2 2 308.466 3.476 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccc(F)cc1 ZINC000435534004 527898166 /nfs/dbraw/zinc/89/81/66/527898166.db2.gz LCXUNFCAOYASBJ-CVEARBPZSA-N 2 2 308.466 3.476 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCSc1ccc(F)cc1 ZINC000435534004 527898170 /nfs/dbraw/zinc/89/81/70/527898170.db2.gz LCXUNFCAOYASBJ-CVEARBPZSA-N 2 2 308.466 3.476 20 0 DGADLP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435623007 527923580 /nfs/dbraw/zinc/92/35/80/527923580.db2.gz BADNSZKKFPJBEO-OAHLLOKOSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435623007 527923584 /nfs/dbraw/zinc/92/35/84/527923584.db2.gz BADNSZKKFPJBEO-OAHLLOKOSA-N 2 2 323.868 3.051 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000430561503 527943233 /nfs/dbraw/zinc/94/32/33/527943233.db2.gz MDNSIQALHAWJMO-INIZCTEOSA-N 2 2 309.360 3.083 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000152889644 528117527 /nfs/dbraw/zinc/11/75/27/528117527.db2.gz IONDXDCRYKHNHW-MRXNPFEDSA-N 2 2 319.497 3.389 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000152889644 528117531 /nfs/dbraw/zinc/11/75/31/528117531.db2.gz IONDXDCRYKHNHW-MRXNPFEDSA-N 2 2 319.497 3.389 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000294711800 528204025 /nfs/dbraw/zinc/20/40/25/528204025.db2.gz DTYBYRVBRAQIMC-UHFFFAOYSA-N 2 2 301.356 3.064 20 0 DGADLP CC1CC[NH+](CCCCNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000434098098 528237428 /nfs/dbraw/zinc/23/74/28/528237428.db2.gz OZDFYJCGKNSKDT-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CC1CC[NH+](CCCCNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000434098098 528237438 /nfs/dbraw/zinc/23/74/38/528237438.db2.gz OZDFYJCGKNSKDT-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079110 528265079 /nfs/dbraw/zinc/26/50/79/528265079.db2.gz AWWMQTHUHBVZRS-UONOGXRCSA-N 2 2 304.482 3.214 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079110 528265089 /nfs/dbraw/zinc/26/50/89/528265089.db2.gz AWWMQTHUHBVZRS-UONOGXRCSA-N 2 2 304.482 3.214 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423273108 528310007 /nfs/dbraw/zinc/31/00/07/528310007.db2.gz ZVMOLLKBTRRZTA-JQWIXIFHSA-N 2 2 304.356 3.451 20 0 DGADLP CCOc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)cs2)cc1 ZINC000430641713 528353670 /nfs/dbraw/zinc/35/36/70/528353670.db2.gz MXRJQUHZUXCQIE-UHFFFAOYSA-N 2 2 317.458 3.132 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000316633829 528408194 /nfs/dbraw/zinc/40/81/94/528408194.db2.gz NOFIBMDKNVWGOG-QGZVFWFLSA-N 2 2 306.450 3.093 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000316633829 528408200 /nfs/dbraw/zinc/40/82/00/528408200.db2.gz NOFIBMDKNVWGOG-QGZVFWFLSA-N 2 2 306.450 3.093 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000430590696 528509282 /nfs/dbraw/zinc/50/92/82/528509282.db2.gz LSWSGFJAYYDJSJ-ZFWWWQNUSA-N 2 2 302.422 3.103 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000430590696 528509292 /nfs/dbraw/zinc/50/92/92/528509292.db2.gz LSWSGFJAYYDJSJ-ZFWWWQNUSA-N 2 2 302.422 3.103 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309774630 528568266 /nfs/dbraw/zinc/56/82/66/528568266.db2.gz BXFMAMCFNQIEOA-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309774630 528568269 /nfs/dbraw/zinc/56/82/69/528568269.db2.gz BXFMAMCFNQIEOA-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP CCC(CC)[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)[NH+](C)C ZINC000436495339 528854557 /nfs/dbraw/zinc/85/45/57/528854557.db2.gz OUTVSFYDVZIUSH-INIZCTEOSA-N 2 2 320.481 3.495 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)ncc1F ZINC000295938280 528862824 /nfs/dbraw/zinc/86/28/24/528862824.db2.gz GDIIIHVZEMUHII-UHFFFAOYSA-N 2 2 308.376 3.031 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)ncc1F ZINC000295938280 528862829 /nfs/dbraw/zinc/86/28/29/528862829.db2.gz GDIIIHVZEMUHII-UHFFFAOYSA-N 2 2 308.376 3.031 20 0 DGADLP CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435630114 528880401 /nfs/dbraw/zinc/88/04/01/528880401.db2.gz ZPZRUOOGTCWUFA-QGZVFWFLSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435630114 528880405 /nfs/dbraw/zinc/88/04/05/528880405.db2.gz ZPZRUOOGTCWUFA-QGZVFWFLSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@H+](Cc1csc(-c2ccoc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435629257 528880661 /nfs/dbraw/zinc/88/06/61/528880661.db2.gz XIDOTDLTMSOQEQ-HNNXBMFYSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1csc(-c2ccoc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435629257 528880669 /nfs/dbraw/zinc/88/06/69/528880669.db2.gz XIDOTDLTMSOQEQ-HNNXBMFYSA-N 2 2 305.447 3.367 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000471798452 535215346 /nfs/dbraw/zinc/21/53/46/535215346.db2.gz KJOVYPXUHKLVMV-AEFFLSMTSA-N 2 2 304.478 3.180 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000471798452 535215352 /nfs/dbraw/zinc/21/53/52/535215352.db2.gz KJOVYPXUHKLVMV-AEFFLSMTSA-N 2 2 304.478 3.180 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471778179 535216290 /nfs/dbraw/zinc/21/62/90/535216290.db2.gz CSTDZQLRHNHHLD-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471778179 535216295 /nfs/dbraw/zinc/21/62/95/535216295.db2.gz CSTDZQLRHNHHLD-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP COc1ccc2ccccc2c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494411675 537043842 /nfs/dbraw/zinc/04/38/42/537043842.db2.gz JHLWFABDNRQGIM-OAHLLOKOSA-N 2 2 307.397 3.150 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040673216 545675985 /nfs/dbraw/zinc/67/59/85/545675985.db2.gz GLFDLUHVYCMSFD-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040673216 545675990 /nfs/dbraw/zinc/67/59/90/545675990.db2.gz GLFDLUHVYCMSFD-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185672 545822233 /nfs/dbraw/zinc/82/22/33/545822233.db2.gz UVKUDJVCORRMOZ-PKOBYXMFSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185672 545822242 /nfs/dbraw/zinc/82/22/42/545822242.db2.gz UVKUDJVCORRMOZ-PKOBYXMFSA-N 2 2 304.478 3.036 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H](C)C1 ZINC000090228447 545824097 /nfs/dbraw/zinc/82/40/97/545824097.db2.gz BCIHGORUXACMBB-NOZJJQNGSA-N 2 2 304.331 3.063 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H](C)C1 ZINC000090228447 545824101 /nfs/dbraw/zinc/82/41/01/545824101.db2.gz BCIHGORUXACMBB-NOZJJQNGSA-N 2 2 304.331 3.063 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188030 545825077 /nfs/dbraw/zinc/82/50/77/545825077.db2.gz DVMIDBLCGNRBRY-HKUYNNGSSA-N 2 2 318.505 3.428 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188030 545825080 /nfs/dbraw/zinc/82/50/80/545825080.db2.gz DVMIDBLCGNRBRY-HKUYNNGSSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)[C@@H](CCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187697 545825123 /nfs/dbraw/zinc/82/51/23/545825123.db2.gz NYERZWHRWLJVLJ-QZTJIDSGSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@@H](CCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187697 545825126 /nfs/dbraw/zinc/82/51/26/545825126.db2.gz NYERZWHRWLJVLJ-QZTJIDSGSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cc(C)ccc1OC ZINC000091734226 545838149 /nfs/dbraw/zinc/83/81/49/545838149.db2.gz CGGTXAFCGMSJKH-GOSISDBHSA-N 2 2 320.477 3.155 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000121520014 545897182 /nfs/dbraw/zinc/89/71/82/545897182.db2.gz BPECVMJNQIVFPV-MRXNPFEDSA-N 2 2 303.356 3.439 20 0 DGADLP C(c1noc2c1CCCC2)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134893541 545976042 /nfs/dbraw/zinc/97/60/42/545976042.db2.gz MYMFAYSQFHBTRF-RDTXWAMCSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134893541 545976045 /nfs/dbraw/zinc/97/60/45/545976045.db2.gz MYMFAYSQFHBTRF-RDTXWAMCSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134893541 545976051 /nfs/dbraw/zinc/97/60/51/545976051.db2.gz MYMFAYSQFHBTRF-RDTXWAMCSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134893541 545976057 /nfs/dbraw/zinc/97/60/57/545976057.db2.gz MYMFAYSQFHBTRF-RDTXWAMCSA-N 2 2 315.461 3.002 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)[C@@H]1C[NH3+] ZINC000157544954 546041174 /nfs/dbraw/zinc/04/11/74/546041174.db2.gz UQUZNZKPHGLJFY-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)[C@@H]1C[NH3+] ZINC000157544954 546041175 /nfs/dbraw/zinc/04/11/75/546041175.db2.gz UQUZNZKPHGLJFY-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000161601821 546071342 /nfs/dbraw/zinc/07/13/42/546071342.db2.gz CCAGVRSWPQUMFK-FXAWDEMLSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000162417804 546077803 /nfs/dbraw/zinc/07/78/03/546077803.db2.gz YTODBJZQYKKHOK-UHFFFAOYSA-N 2 2 320.868 3.191 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000179961298 546139783 /nfs/dbraw/zinc/13/97/83/546139783.db2.gz WVESWIQYIKJZKP-WFASDCNBSA-N 2 2 304.463 3.267 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000247099338 546308637 /nfs/dbraw/zinc/30/86/37/546308637.db2.gz SGMRTMADVHZBFB-PLMTUMEDSA-N 2 2 321.468 3.222 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000247099338 546308641 /nfs/dbraw/zinc/30/86/41/546308641.db2.gz SGMRTMADVHZBFB-PLMTUMEDSA-N 2 2 321.468 3.222 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000248884540 546322152 /nfs/dbraw/zinc/32/21/52/546322152.db2.gz LUGVTSFXVRUCGE-DUXKGJEZSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000248884540 546322159 /nfs/dbraw/zinc/32/21/59/546322159.db2.gz LUGVTSFXVRUCGE-DUXKGJEZSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000248884545 546322213 /nfs/dbraw/zinc/32/22/13/546322213.db2.gz LUGVTSFXVRUCGE-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000248884545 546322218 /nfs/dbraw/zinc/32/22/18/546322218.db2.gz LUGVTSFXVRUCGE-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)c(C)c2)CC[C@H]1[NH3+] ZINC000251862422 546331016 /nfs/dbraw/zinc/33/10/16/546331016.db2.gz SYSAXHGOWAVMCZ-UKRRQHHQSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)c(C)c2)CC[C@H]1[NH3+] ZINC000251862422 546331019 /nfs/dbraw/zinc/33/10/19/546331019.db2.gz SYSAXHGOWAVMCZ-UKRRQHHQSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251540375 546329956 /nfs/dbraw/zinc/32/99/56/546329956.db2.gz ASBYYGQYGNVDAP-BXUZGUMPSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251540375 546329961 /nfs/dbraw/zinc/32/99/61/546329961.db2.gz ASBYYGQYGNVDAP-BXUZGUMPSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(C)cc2Br)CC[C@H]1[NH3+] ZINC000251865338 546331154 /nfs/dbraw/zinc/33/11/54/546331154.db2.gz TZDVKJSRWNUERG-IUODEOHRSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2Br)CC[C@H]1[NH3+] ZINC000251865338 546331157 /nfs/dbraw/zinc/33/11/57/546331157.db2.gz TZDVKJSRWNUERG-IUODEOHRSA-N 2 2 311.267 3.317 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267445456 546347059 /nfs/dbraw/zinc/34/70/59/546347059.db2.gz PZTPWUSPZXYPLY-CQSZACIVSA-N 2 2 317.458 3.390 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267445456 546347064 /nfs/dbraw/zinc/34/70/64/546347064.db2.gz PZTPWUSPZXYPLY-CQSZACIVSA-N 2 2 317.458 3.390 20 0 DGADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ncc[nH]1 ZINC000285943733 546400240 /nfs/dbraw/zinc/40/02/40/546400240.db2.gz FVAMPJZYDSKFCY-OAGGEKHMSA-N 2 2 312.461 3.217 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ncc[nH]1 ZINC000286277496 546401943 /nfs/dbraw/zinc/40/19/43/546401943.db2.gz VPFOUGANBZAJGN-MRXNPFEDSA-N 2 2 312.461 3.492 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000319762839 546465520 /nfs/dbraw/zinc/46/55/20/546465520.db2.gz DRICOTXREYKMQZ-FXAWDEMLSA-N 3 2 317.521 3.389 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000347210653 546583101 /nfs/dbraw/zinc/58/31/01/546583101.db2.gz XSCUNEBQJRSXLD-FUHWJXTLSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000347210653 546583106 /nfs/dbraw/zinc/58/31/06/546583106.db2.gz XSCUNEBQJRSXLD-FUHWJXTLSA-N 2 2 314.473 3.341 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349240447 546599649 /nfs/dbraw/zinc/59/96/49/546599649.db2.gz JHHQSYOYJCSFOS-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349240447 546599655 /nfs/dbraw/zinc/59/96/55/546599655.db2.gz JHHQSYOYJCSFOS-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cscc2Br)C1 ZINC000352751725 546654742 /nfs/dbraw/zinc/65/47/42/546654742.db2.gz WLLCRHMCZAOYLD-RYUDHWBXSA-N 2 2 317.296 3.473 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357239927 546698434 /nfs/dbraw/zinc/69/84/34/546698434.db2.gz UGRNTFBLUSBXSB-NLWGTHIKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239927 546698437 /nfs/dbraw/zinc/69/84/37/546698437.db2.gz UGRNTFBLUSBXSB-NLWGTHIKSA-N 3 2 317.521 3.217 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)Cc2ccccc2F)nc(C)[nH+]1 ZINC000359729928 546712026 /nfs/dbraw/zinc/71/20/26/546712026.db2.gz FLHQYCFIWGUWGK-UHFFFAOYSA-N 2 2 316.424 3.055 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000381072114 546738196 /nfs/dbraw/zinc/73/81/96/546738196.db2.gz PQSBYBLFHQJMGL-DLBZAZTESA-N 2 2 312.457 3.433 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000381072114 546738199 /nfs/dbraw/zinc/73/81/99/546738199.db2.gz PQSBYBLFHQJMGL-DLBZAZTESA-N 2 2 312.457 3.433 20 0 DGADLP [NH3+]CCC[N@@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000414737254 546788415 /nfs/dbraw/zinc/78/84/15/546788415.db2.gz ALYZTKGIOHYITC-ZDUSSCGKSA-N 2 2 304.381 3.144 20 0 DGADLP [NH3+]CCC[N@H+]1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000414737254 546788420 /nfs/dbraw/zinc/78/84/20/546788420.db2.gz ALYZTKGIOHYITC-ZDUSSCGKSA-N 2 2 304.381 3.144 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)n1C ZINC000419702398 546805202 /nfs/dbraw/zinc/80/52/02/546805202.db2.gz BKLVCRAVISTYGD-HOCLYGCPSA-N 2 2 316.424 3.051 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378998 546860091 /nfs/dbraw/zinc/86/00/91/546860091.db2.gz ZWZOSNQYJZWRLE-FCFHUKJJSA-N 3 2 313.489 3.037 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378998 546860098 /nfs/dbraw/zinc/86/00/98/546860098.db2.gz ZWZOSNQYJZWRLE-FCFHUKJJSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378998 546860101 /nfs/dbraw/zinc/86/01/01/546860101.db2.gz ZWZOSNQYJZWRLE-FCFHUKJJSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378998 546860108 /nfs/dbraw/zinc/86/01/08/546860108.db2.gz ZWZOSNQYJZWRLE-FCFHUKJJSA-N 3 2 313.489 3.037 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459376670 546891051 /nfs/dbraw/zinc/89/10/51/546891051.db2.gz LKBIAMVLRXVILW-UHFFFAOYSA-N 2 2 322.456 3.108 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000494493173 546935155 /nfs/dbraw/zinc/93/51/55/546935155.db2.gz MYQMRIRSDYTGJA-JCHJZTRSSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000494493173 546935157 /nfs/dbraw/zinc/93/51/57/546935157.db2.gz MYQMRIRSDYTGJA-JCHJZTRSSA-N 2 2 302.462 3.369 20 0 DGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000667497117 547203153 /nfs/dbraw/zinc/20/31/53/547203153.db2.gz SPRCNNPXXNFQPO-AWEZNQCLSA-N 2 2 301.434 3.190 20 0 DGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000667497117 547203157 /nfs/dbraw/zinc/20/31/57/547203157.db2.gz SPRCNNPXXNFQPO-AWEZNQCLSA-N 2 2 301.434 3.190 20 0 DGADLP c1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673164 547269837 /nfs/dbraw/zinc/26/98/37/547269837.db2.gz TVQMOJICIYEDAP-SJORKVTESA-N 2 2 314.458 3.127 20 0 DGADLP c1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673164 547269842 /nfs/dbraw/zinc/26/98/42/547269842.db2.gz TVQMOJICIYEDAP-SJORKVTESA-N 2 2 314.458 3.127 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000667689809 547274327 /nfs/dbraw/zinc/27/43/27/547274327.db2.gz IULWZBZWONSRHQ-BEFAXECRSA-N 2 2 304.397 3.460 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000667689809 547274330 /nfs/dbraw/zinc/27/43/30/547274330.db2.gz IULWZBZWONSRHQ-BEFAXECRSA-N 2 2 304.397 3.460 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c[nH+]c3n1CCC3)[C@@H]2C ZINC000667963629 547348341 /nfs/dbraw/zinc/34/83/41/547348341.db2.gz OQMFWEYOHXGJLR-UONOGXRCSA-N 2 2 311.429 3.346 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c[nH+]c3n1CCC3)[C@@H]2C ZINC000667963629 547348346 /nfs/dbraw/zinc/34/83/46/547348346.db2.gz OQMFWEYOHXGJLR-UONOGXRCSA-N 2 2 311.429 3.346 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667966557 547349873 /nfs/dbraw/zinc/34/98/73/547349873.db2.gz MNNXMVCKYNQURD-UHFFFAOYSA-N 3 2 318.509 3.163 20 0 DGADLP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668080684 547376946 /nfs/dbraw/zinc/37/69/46/547376946.db2.gz JCEKICNSUDYGME-INIZCTEOSA-N 2 2 307.825 3.201 20 0 DGADLP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668080684 547376950 /nfs/dbraw/zinc/37/69/50/547376950.db2.gz JCEKICNSUDYGME-INIZCTEOSA-N 2 2 307.825 3.201 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668200456 547413707 /nfs/dbraw/zinc/41/37/07/547413707.db2.gz YJLXTNCWKCVQBH-SUMWQHHRSA-N 2 2 317.820 3.183 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)CC1C[NH+](C)C1 ZINC000668539088 547475016 /nfs/dbraw/zinc/47/50/16/547475016.db2.gz LTTVGGXQGAHQBQ-UHFFFAOYSA-N 2 2 321.877 3.457 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)CC1C[NH+](C)C1 ZINC000668539088 547475019 /nfs/dbraw/zinc/47/50/19/547475019.db2.gz LTTVGGXQGAHQBQ-UHFFFAOYSA-N 2 2 321.877 3.457 20 0 DGADLP CCCCCOc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1OC ZINC000668538733 547475275 /nfs/dbraw/zinc/47/52/75/547475275.db2.gz BCWXATNKZWGMAO-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP CCCCCOc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1OC ZINC000668538733 547475277 /nfs/dbraw/zinc/47/52/77/547475277.db2.gz BCWXATNKZWGMAO-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2COc3cc(F)ccc3C2)c[nH+]1 ZINC000668587058 547486305 /nfs/dbraw/zinc/48/63/05/547486305.db2.gz ITZGSQVSHCVKDT-KRWDZBQOSA-N 2 2 300.377 3.055 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c[nH+]1 ZINC000668610399 547494047 /nfs/dbraw/zinc/49/40/47/547494047.db2.gz UXYVEZPTEODVDV-MOPGFXCFSA-N 2 2 312.461 3.057 20 0 DGADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@H]4C[C@H]4C3)c[nH+]c12 ZINC000668677241 547507479 /nfs/dbraw/zinc/50/74/79/547507479.db2.gz KDCGMKWEKXSXAM-RYUDHWBXSA-N 2 2 320.234 3.247 20 0 DGADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@H]4C[C@H]4C3)c[nH+]c12 ZINC000668677241 547507481 /nfs/dbraw/zinc/50/74/81/547507481.db2.gz KDCGMKWEKXSXAM-RYUDHWBXSA-N 2 2 320.234 3.247 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000668714933 547517654 /nfs/dbraw/zinc/51/76/54/547517654.db2.gz GTOCFPVXORGCKU-CQSZACIVSA-N 2 2 317.260 3.101 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000669418425 547636026 /nfs/dbraw/zinc/63/60/26/547636026.db2.gz WRKFPNHQAIYDJT-RTBURBONSA-N 3 2 321.553 3.349 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)nn1C ZINC000669700388 547674273 /nfs/dbraw/zinc/67/42/73/547674273.db2.gz ZNCDNVPZXVTONE-CRAIPNDOSA-N 2 2 323.444 3.097 20 0 DGADLP Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714430 547676994 /nfs/dbraw/zinc/67/69/94/547676994.db2.gz OWQUUBNWTLHLMO-MRXNPFEDSA-N 2 2 311.429 3.305 20 0 DGADLP Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714430 547676997 /nfs/dbraw/zinc/67/69/97/547676997.db2.gz OWQUUBNWTLHLMO-MRXNPFEDSA-N 2 2 311.429 3.305 20 0 DGADLP C[C@H](CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000670268202 547741828 /nfs/dbraw/zinc/74/18/28/547741828.db2.gz OAGUYJYIFBBMDW-GDBMZVCRSA-N 2 2 304.482 3.316 20 0 DGADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985598 547767849 /nfs/dbraw/zinc/76/78/49/547767849.db2.gz FFWRPCRXQIYUKE-MJGOQNOKSA-N 2 2 302.462 3.243 20 0 DGADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000670985598 547767853 /nfs/dbraw/zinc/76/78/53/547767853.db2.gz FFWRPCRXQIYUKE-MJGOQNOKSA-N 2 2 302.462 3.243 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000671746870 547824601 /nfs/dbraw/zinc/82/46/01/547824601.db2.gz QWAHTYXXMZBVIZ-DYVFJYSZSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671746870 547824605 /nfs/dbraw/zinc/82/46/05/547824605.db2.gz QWAHTYXXMZBVIZ-DYVFJYSZSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000672620858 547896466 /nfs/dbraw/zinc/89/64/66/547896466.db2.gz QJCFEZABOHBTQZ-CJNGLKHVSA-N 2 2 312.404 3.465 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)c2ccncc2)n1-c1ccccc1 ZINC000674490656 548084427 /nfs/dbraw/zinc/08/44/27/548084427.db2.gz WEPBBYJGYWGSMQ-HNNXBMFYSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000675102329 548152216 /nfs/dbraw/zinc/15/22/16/548152216.db2.gz WHVDNQLDPPGKQH-NVXWUHKLSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000675102329 548152220 /nfs/dbraw/zinc/15/22/20/548152220.db2.gz WHVDNQLDPPGKQH-NVXWUHKLSA-N 2 2 320.440 3.316 20 0 DGADLP Cc1cccn2c(C[NH2+]CC(C)(C)[C@H]3CCCCO3)c[nH+]c12 ZINC000675157499 548161838 /nfs/dbraw/zinc/16/18/38/548161838.db2.gz UHSMJQJGPORMOL-MRXNPFEDSA-N 2 2 301.434 3.328 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768016 548267333 /nfs/dbraw/zinc/26/73/33/548267333.db2.gz VMQXIHUVQBIAQW-DOMZBBRYSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768016 548267335 /nfs/dbraw/zinc/26/73/35/548267335.db2.gz VMQXIHUVQBIAQW-DOMZBBRYSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000675894345 548286659 /nfs/dbraw/zinc/28/66/59/548286659.db2.gz AIVCNIKWKIPEKZ-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000675894345 548286663 /nfs/dbraw/zinc/28/66/63/548286663.db2.gz AIVCNIKWKIPEKZ-AHRSYUTCSA-N 2 2 316.489 3.038 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1 ZINC000675919755 548291941 /nfs/dbraw/zinc/29/19/41/548291941.db2.gz ITUXWOMSQPHRPQ-FQEVSTJZSA-N 2 2 317.436 3.461 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923863 548292886 /nfs/dbraw/zinc/29/28/86/548292886.db2.gz UWEMJWVMKYJYPB-QZTJIDSGSA-N 2 2 315.461 3.499 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076849 548317752 /nfs/dbraw/zinc/31/77/52/548317752.db2.gz GHBMPGWWBAAHGX-MJGOQNOKSA-N 2 2 314.473 3.463 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076849 548317754 /nfs/dbraw/zinc/31/77/54/548317754.db2.gz GHBMPGWWBAAHGX-MJGOQNOKSA-N 2 2 314.473 3.463 20 0 DGADLP CCC[C@@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748647 548549706 /nfs/dbraw/zinc/54/97/06/548549706.db2.gz BPQGLHSILQVYOR-PKOBYXMFSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748647 548549710 /nfs/dbraw/zinc/54/97/10/548549710.db2.gz BPQGLHSILQVYOR-PKOBYXMFSA-N 2 2 304.478 3.180 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678235406 548648752 /nfs/dbraw/zinc/64/87/52/548648752.db2.gz JHBCPOLLNZQADE-CQSZACIVSA-N 2 2 304.463 3.375 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678235406 548648756 /nfs/dbraw/zinc/64/87/56/548648756.db2.gz JHBCPOLLNZQADE-CQSZACIVSA-N 2 2 304.463 3.375 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678234682 548649202 /nfs/dbraw/zinc/64/92/02/548649202.db2.gz JJAWOCLPTXCBGL-GOSISDBHSA-N 2 2 321.428 3.419 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678234682 548649204 /nfs/dbraw/zinc/64/92/04/548649204.db2.gz JJAWOCLPTXCBGL-GOSISDBHSA-N 2 2 321.428 3.419 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000678265150 548660194 /nfs/dbraw/zinc/66/01/94/548660194.db2.gz YHPOOZPCIWLQFY-NVXWUHKLSA-N 2 2 320.477 3.256 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000678265150 548660197 /nfs/dbraw/zinc/66/01/97/548660197.db2.gz YHPOOZPCIWLQFY-NVXWUHKLSA-N 2 2 320.477 3.256 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cscc1Cl ZINC000678338457 548681076 /nfs/dbraw/zinc/68/10/76/548681076.db2.gz AHIZAABMBGDLPZ-YUELXQCFSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cscc1Cl ZINC000678338457 548681082 /nfs/dbraw/zinc/68/10/82/548681082.db2.gz AHIZAABMBGDLPZ-YUELXQCFSA-N 2 2 314.882 3.085 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343300 548684603 /nfs/dbraw/zinc/68/46/03/548684603.db2.gz PIXFDOGGZPLFSX-IAGOWNOFSA-N 2 2 319.468 3.103 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464118 548709480 /nfs/dbraw/zinc/70/94/80/548709480.db2.gz YNZPRSSNIYPOEZ-HUUCEWRRSA-N 2 2 300.406 3.181 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000678464118 548709491 /nfs/dbraw/zinc/70/94/91/548709491.db2.gz YNZPRSSNIYPOEZ-HUUCEWRRSA-N 2 2 300.406 3.181 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000678497380 548716848 /nfs/dbraw/zinc/71/68/48/548716848.db2.gz CCAXTSYRQUQEMF-OXHPOLQJSA-N 2 2 316.489 3.323 20 0 DGADLP CCC1(O)CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678497380 548716853 /nfs/dbraw/zinc/71/68/53/548716853.db2.gz CCAXTSYRQUQEMF-OXHPOLQJSA-N 2 2 316.489 3.323 20 0 DGADLP CC(C)(C)C[C@@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602569 548737471 /nfs/dbraw/zinc/73/74/71/548737471.db2.gz CYKBPXMIOFOVKW-MSOLQXFVSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)C[C@@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678602569 548737475 /nfs/dbraw/zinc/73/74/75/548737475.db2.gz CYKBPXMIOFOVKW-MSOLQXFVSA-N 2 2 318.505 3.426 20 0 DGADLP COC[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000678603708 548738594 /nfs/dbraw/zinc/73/85/94/548738594.db2.gz DRKSFSJYIWTXNJ-QZTJIDSGSA-N 2 2 302.462 3.054 20 0 DGADLP COC[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000678603708 548738598 /nfs/dbraw/zinc/73/85/98/548738598.db2.gz DRKSFSJYIWTXNJ-QZTJIDSGSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000678689721 548751515 /nfs/dbraw/zinc/75/15/15/548751515.db2.gz JESAXMBGXJFRKI-SFHVURJKSA-N 2 2 322.880 3.492 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000678822956 548771893 /nfs/dbraw/zinc/77/18/93/548771893.db2.gz MTZJKQMWZBLDMM-GOSISDBHSA-N 2 2 321.428 3.121 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000678822956 548771895 /nfs/dbraw/zinc/77/18/95/548771895.db2.gz MTZJKQMWZBLDMM-GOSISDBHSA-N 2 2 321.428 3.121 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927843 548794205 /nfs/dbraw/zinc/79/42/05/548794205.db2.gz LPUULQHOKYIPIC-KZNAEPCWSA-N 2 2 306.494 3.188 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927843 548794208 /nfs/dbraw/zinc/79/42/08/548794208.db2.gz LPUULQHOKYIPIC-KZNAEPCWSA-N 2 2 306.494 3.188 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678991986 548807630 /nfs/dbraw/zinc/80/76/30/548807630.db2.gz JEOXGGAFAINRDL-OAHLLOKOSA-N 2 2 319.518 3.472 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678991986 548807635 /nfs/dbraw/zinc/80/76/35/548807635.db2.gz JEOXGGAFAINRDL-OAHLLOKOSA-N 2 2 319.518 3.472 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000678992599 548809434 /nfs/dbraw/zinc/80/94/34/548809434.db2.gz MJJGELPDNLFPLA-DZGCQCFKSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000678992599 548809439 /nfs/dbraw/zinc/80/94/39/548809439.db2.gz MJJGELPDNLFPLA-DZGCQCFKSA-N 2 2 316.474 3.302 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679345743 548882385 /nfs/dbraw/zinc/88/23/85/548882385.db2.gz PCJVQFDBTRMISL-DYVFJYSZSA-N 2 2 309.417 3.086 20 0 DGADLP Cc1ccc(CNc2[nH+]c3ccccc3n2C)c(N2CCCC2)[nH+]1 ZINC000679706443 548941708 /nfs/dbraw/zinc/94/17/08/548941708.db2.gz VUOYUCKKQBSCAF-UHFFFAOYSA-N 2 2 321.428 3.489 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1nc2ccccc2o1)Cc1ccccc1 ZINC000679925499 548964116 /nfs/dbraw/zinc/96/41/16/548964116.db2.gz WQZFCVWCGJNRSV-UHFFFAOYSA-N 2 2 309.413 3.440 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1nc2ccccc2o1)Cc1ccccc1 ZINC000679925499 548964120 /nfs/dbraw/zinc/96/41/20/548964120.db2.gz WQZFCVWCGJNRSV-UHFFFAOYSA-N 2 2 309.413 3.440 20 0 DGADLP c1cn(-c2csc(C[NH+]3CCC([C@H]4CCOC4)CC3)c2)c[nH+]1 ZINC000680334621 549031558 /nfs/dbraw/zinc/03/15/58/549031558.db2.gz XNTWLQLBPNIUOH-HNNXBMFYSA-N 2 2 317.458 3.182 20 0 DGADLP c1cn(-c2csc(C[NH+]3CCC([C@@H]4CCOC4)CC3)c2)c[nH+]1 ZINC000680334629 549031583 /nfs/dbraw/zinc/03/15/83/549031583.db2.gz XNTWLQLBPNIUOH-OAHLLOKOSA-N 2 2 317.458 3.182 20 0 DGADLP Cc1csc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)n1 ZINC000680416756 549050581 /nfs/dbraw/zinc/05/05/81/549050581.db2.gz BDWKYHMXDDUEAQ-GFCCVEGCSA-N 2 2 300.431 3.460 20 0 DGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000682074038 549283822 /nfs/dbraw/zinc/28/38/22/549283822.db2.gz CKBSOLAZIFCYDS-QOKNQOGYSA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000682074038 549283825 /nfs/dbraw/zinc/28/38/25/549283825.db2.gz CKBSOLAZIFCYDS-QOKNQOGYSA-N 2 2 314.477 3.103 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000682074038 549283828 /nfs/dbraw/zinc/28/38/28/549283828.db2.gz CKBSOLAZIFCYDS-QOKNQOGYSA-N 2 2 314.477 3.103 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)CCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000682075500 549285598 /nfs/dbraw/zinc/28/55/98/549285598.db2.gz HNQRXEQZANGRQY-FXAWDEMLSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)CCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000682075500 549285603 /nfs/dbraw/zinc/28/56/03/549285603.db2.gz HNQRXEQZANGRQY-FXAWDEMLSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075500 549285606 /nfs/dbraw/zinc/28/56/06/549285606.db2.gz HNQRXEQZANGRQY-FXAWDEMLSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075500 549285611 /nfs/dbraw/zinc/28/56/11/549285611.db2.gz HNQRXEQZANGRQY-FXAWDEMLSA-N 2 2 324.472 3.004 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000682134314 549294311 /nfs/dbraw/zinc/29/43/11/549294311.db2.gz HPQIURZQIZYXQL-NVXWUHKLSA-N 2 2 321.428 3.153 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000683022733 549417305 /nfs/dbraw/zinc/41/73/05/549417305.db2.gz XRLHTDCXWJUVQE-INIZCTEOSA-N 2 2 321.371 3.384 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000683022733 549417309 /nfs/dbraw/zinc/41/73/09/549417309.db2.gz XRLHTDCXWJUVQE-INIZCTEOSA-N 2 2 321.371 3.384 20 0 DGADLP c1cc2cnccc2c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000684025743 549569847 /nfs/dbraw/zinc/56/98/47/549569847.db2.gz JQDOVQZLXXZBKR-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP c1cc2cnccc2c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000684025743 549569850 /nfs/dbraw/zinc/56/98/50/549569850.db2.gz JQDOVQZLXXZBKR-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000684362979 549618573 /nfs/dbraw/zinc/61/85/73/549618573.db2.gz ZQAJIGDJRUXAHB-AEFFLSMTSA-N 2 2 317.477 3.116 20 0 DGADLP CC(C)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(F)F ZINC000684414151 549632339 /nfs/dbraw/zinc/63/23/39/549632339.db2.gz UCRVESGYQYDRNJ-UHFFFAOYSA-N 2 2 312.404 3.295 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OC ZINC000685452350 549762529 /nfs/dbraw/zinc/76/25/29/549762529.db2.gz RRLQNYJPENWTPL-HNNXBMFYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OC ZINC000685452350 549762531 /nfs/dbraw/zinc/76/25/31/549762531.db2.gz RRLQNYJPENWTPL-HNNXBMFYSA-N 2 2 308.466 3.256 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000685573589 549776543 /nfs/dbraw/zinc/77/65/43/549776543.db2.gz WOMQBAZWJKAZRO-KDOFPFPSSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000685573589 549776547 /nfs/dbraw/zinc/77/65/47/549776547.db2.gz WOMQBAZWJKAZRO-KDOFPFPSSA-N 2 2 313.445 3.292 20 0 DGADLP c1[nH+]c2ccccn2c1CN1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000685848210 549798907 /nfs/dbraw/zinc/79/89/07/549798907.db2.gz OSNPKXPALUNWEA-KRWDZBQOSA-N 2 2 318.424 3.319 20 0 DGADLP c1[nH+]c2ccccn2c1CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000685848210 549798908 /nfs/dbraw/zinc/79/89/08/549798908.db2.gz OSNPKXPALUNWEA-KRWDZBQOSA-N 2 2 318.424 3.319 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cn3cc(-c4ccccc4)cn3)C2)c[nH+]1 ZINC000738149036 574860069 /nfs/dbraw/zinc/86/00/69/574860069.db2.gz OKFWAUIMZBYDJM-SFHVURJKSA-N 2 2 307.401 3.041 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cn3cc(-c4ccccc4)cn3)C2)c[nH+]1 ZINC000738149036 574860070 /nfs/dbraw/zinc/86/00/70/574860070.db2.gz OKFWAUIMZBYDJM-SFHVURJKSA-N 2 2 307.401 3.041 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000738159980 574859985 /nfs/dbraw/zinc/85/99/85/574859985.db2.gz VJVJCHKNPXXDSM-IBGZPJMESA-N 2 2 321.428 3.350 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000738159980 574859987 /nfs/dbraw/zinc/85/99/87/574859987.db2.gz VJVJCHKNPXXDSM-IBGZPJMESA-N 2 2 321.428 3.350 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882072 574944847 /nfs/dbraw/zinc/94/48/47/574944847.db2.gz FWRMROHAFIYRFD-WMZOPIPTSA-N 2 2 323.525 3.020 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882072 574944849 /nfs/dbraw/zinc/94/48/49/574944849.db2.gz FWRMROHAFIYRFD-WMZOPIPTSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882072 574944850 /nfs/dbraw/zinc/94/48/50/574944850.db2.gz FWRMROHAFIYRFD-WMZOPIPTSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882072 574944852 /nfs/dbraw/zinc/94/48/52/574944852.db2.gz FWRMROHAFIYRFD-WMZOPIPTSA-N 2 2 323.525 3.020 20 0 DGADLP C[C@H](COc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000728782442 576201805 /nfs/dbraw/zinc/20/18/05/576201805.db2.gz OSZXGASZTUZUNG-MRXNPFEDSA-N 2 2 307.397 3.429 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000852743170 620644722 /nfs/dbraw/zinc/64/47/22/620644722.db2.gz AKDZXIMUXKSNRK-NSHDSACASA-N 2 2 323.234 3.366 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000852743170 620644724 /nfs/dbraw/zinc/64/47/24/620644724.db2.gz AKDZXIMUXKSNRK-NSHDSACASA-N 2 2 323.234 3.366 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C3([NH2+]C4CC4)CCC3)c2)[nH+]c1C ZINC000852862922 620652967 /nfs/dbraw/zinc/65/29/67/620652967.db2.gz NEHFSFQFUXESRA-UHFFFAOYSA-N 2 2 324.428 3.307 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)nc3c2CCCC3)CC1 ZINC000891560646 617835543 /nfs/dbraw/zinc/83/55/43/617835543.db2.gz FSFBHAUEDPCPJQ-UHFFFAOYSA-N 2 2 301.478 3.185 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)nc3c2CCCC3)CC1 ZINC000891560646 617835551 /nfs/dbraw/zinc/83/55/51/617835551.db2.gz FSFBHAUEDPCPJQ-UHFFFAOYSA-N 2 2 301.478 3.185 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000853694526 620725853 /nfs/dbraw/zinc/72/58/53/620725853.db2.gz MIUQMPJYHJJRJT-MRXNPFEDSA-N 2 2 307.413 3.130 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000853694526 620725857 /nfs/dbraw/zinc/72/58/57/620725857.db2.gz MIUQMPJYHJJRJT-MRXNPFEDSA-N 2 2 307.413 3.130 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2C2CCCC2)CC1 ZINC000891742750 617887632 /nfs/dbraw/zinc/88/76/32/617887632.db2.gz DPMBAPHBGAMQGF-UHFFFAOYSA-N 2 2 318.509 3.384 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2C2CCCC2)CC1 ZINC000891742750 617887634 /nfs/dbraw/zinc/88/76/34/617887634.db2.gz DPMBAPHBGAMQGF-UHFFFAOYSA-N 2 2 318.509 3.384 20 0 DGADLP Clc1n[nH]c(C2CC2)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000891846732 617910924 /nfs/dbraw/zinc/91/09/24/617910924.db2.gz SDNYPUVAGSCPLL-UHFFFAOYSA-N 2 2 305.813 3.043 20 0 DGADLP c1[nH+]cn2ccnc(NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c12 ZINC000892078336 617957888 /nfs/dbraw/zinc/95/78/88/617957888.db2.gz KSJSFSSYAPQSTC-QGZVFWFLSA-N 2 2 321.428 3.053 20 0 DGADLP c1[nH+]cn2ccnc(NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000892078336 617957890 /nfs/dbraw/zinc/95/78/90/617957890.db2.gz KSJSFSSYAPQSTC-QGZVFWFLSA-N 2 2 321.428 3.053 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000892103594 617961782 /nfs/dbraw/zinc/96/17/82/617961782.db2.gz ZOYSYXGIEJORQB-GOSISDBHSA-N 2 2 301.478 3.198 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000892103594 617961783 /nfs/dbraw/zinc/96/17/83/617961783.db2.gz ZOYSYXGIEJORQB-GOSISDBHSA-N 2 2 301.478 3.198 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101726 617962112 /nfs/dbraw/zinc/96/21/12/617962112.db2.gz BSTMZWAAEJCRBY-MAUKXSAKSA-N 2 2 318.509 3.382 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101726 617962116 /nfs/dbraw/zinc/96/21/16/617962116.db2.gz BSTMZWAAEJCRBY-MAUKXSAKSA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101726 617962121 /nfs/dbraw/zinc/96/21/21/617962121.db2.gz BSTMZWAAEJCRBY-MAUKXSAKSA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@@H]1C ZINC000892101726 617962122 /nfs/dbraw/zinc/96/21/22/617962122.db2.gz BSTMZWAAEJCRBY-MAUKXSAKSA-N 2 2 318.509 3.382 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103517 617962751 /nfs/dbraw/zinc/96/27/51/617962751.db2.gz JZEOWAKNOYUFMF-YOEHRIQHSA-N 2 2 306.498 3.385 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103517 617962753 /nfs/dbraw/zinc/96/27/53/617962753.db2.gz JZEOWAKNOYUFMF-YOEHRIQHSA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103517 617962756 /nfs/dbraw/zinc/96/27/56/617962756.db2.gz JZEOWAKNOYUFMF-YOEHRIQHSA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@@H]1C ZINC000892103517 617962758 /nfs/dbraw/zinc/96/27/58/617962758.db2.gz JZEOWAKNOYUFMF-YOEHRIQHSA-N 2 2 306.498 3.385 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105903 617963466 /nfs/dbraw/zinc/96/34/66/617963466.db2.gz QOVXNDMEOAXFNP-YJBOKZPZSA-N 2 2 318.509 3.240 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105903 617963468 /nfs/dbraw/zinc/96/34/68/617963468.db2.gz QOVXNDMEOAXFNP-YJBOKZPZSA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105903 617963471 /nfs/dbraw/zinc/96/34/71/617963471.db2.gz QOVXNDMEOAXFNP-YJBOKZPZSA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)[C@@H](C)C1 ZINC000892105903 617963473 /nfs/dbraw/zinc/96/34/73/617963473.db2.gz QOVXNDMEOAXFNP-YJBOKZPZSA-N 2 2 318.509 3.240 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235320 617991597 /nfs/dbraw/zinc/99/15/97/617991597.db2.gz MLUCPFTUNGHHDP-PBHICJAKSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235320 617991601 /nfs/dbraw/zinc/99/16/01/617991601.db2.gz MLUCPFTUNGHHDP-PBHICJAKSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000892235320 617991604 /nfs/dbraw/zinc/99/16/04/617991604.db2.gz MLUCPFTUNGHHDP-PBHICJAKSA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000892235320 617991606 /nfs/dbraw/zinc/99/16/06/617991606.db2.gz MLUCPFTUNGHHDP-PBHICJAKSA-N 2 2 304.434 3.127 20 0 DGADLP c1nn(C2CCC2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892233996 617991881 /nfs/dbraw/zinc/99/18/81/617991881.db2.gz AHEFIBYJVVHSDB-LPHOPBHVSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892233996 617991885 /nfs/dbraw/zinc/99/18/85/617991885.db2.gz AHEFIBYJVVHSDB-LPHOPBHVSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000892233996 617991888 /nfs/dbraw/zinc/99/18/88/617991888.db2.gz AHEFIBYJVVHSDB-LPHOPBHVSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000892233996 617991891 /nfs/dbraw/zinc/99/18/91/617991891.db2.gz AHEFIBYJVVHSDB-LPHOPBHVSA-N 2 2 314.477 3.057 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924541399 618080847 /nfs/dbraw/zinc/08/08/47/618080847.db2.gz MMKQCOPBBKTUBW-IBGZPJMESA-N 2 2 311.473 3.165 20 0 DGADLP COC1CCC(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000892526878 618100002 /nfs/dbraw/zinc/10/00/02/618100002.db2.gz ASBGFIINRJRGQS-UHFFFAOYSA-N 2 2 313.445 3.226 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1 ZINC000925528799 618472062 /nfs/dbraw/zinc/47/20/62/618472062.db2.gz AYTCNXVPEIZUSL-SJCJKPOMSA-N 2 2 306.356 3.022 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848560 618475375 /nfs/dbraw/zinc/47/53/75/618475375.db2.gz IHTZNFTZGBWAPE-INIZCTEOSA-N 2 2 321.877 3.477 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848560 618475377 /nfs/dbraw/zinc/47/53/77/618475377.db2.gz IHTZNFTZGBWAPE-INIZCTEOSA-N 2 2 321.877 3.477 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848560 618475378 /nfs/dbraw/zinc/47/53/78/618475378.db2.gz IHTZNFTZGBWAPE-INIZCTEOSA-N 2 2 321.877 3.477 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848560 618475381 /nfs/dbraw/zinc/47/53/81/618475381.db2.gz IHTZNFTZGBWAPE-INIZCTEOSA-N 2 2 321.877 3.477 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553563 618490081 /nfs/dbraw/zinc/49/00/81/618490081.db2.gz QUDQSWTUNUWGLL-MJGOQNOKSA-N 3 2 303.494 3.177 20 0 DGADLP Cc1nc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC000895110984 618539535 /nfs/dbraw/zinc/53/95/35/618539535.db2.gz GIZWRIHZWUZAQO-CTYIDZIISA-N 2 2 302.447 3.123 20 0 DGADLP C[C@]1(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCCS1 ZINC000895111819 618540518 /nfs/dbraw/zinc/54/05/18/618540518.db2.gz KZQKARZYSSYZBS-BFYDXBDKSA-N 2 2 305.491 3.444 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCc3cccnc32)CC1 ZINC000895117177 618541821 /nfs/dbraw/zinc/54/18/21/618541821.db2.gz YXYRBGYQDFQVJN-ULQDDVLXSA-N 2 2 308.429 3.240 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291877 618588809 /nfs/dbraw/zinc/58/88/09/618588809.db2.gz ISKOAPHTGDUUEA-HKUYNNGSSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291877 618588813 /nfs/dbraw/zinc/58/88/13/618588813.db2.gz ISKOAPHTGDUUEA-HKUYNNGSSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccccc1OCc1ccccn1)[NH+](C)C ZINC000895300405 618590431 /nfs/dbraw/zinc/59/04/31/618590431.db2.gz WXDNGCOJWHVEDY-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(F)c1 ZINC000925792093 618620791 /nfs/dbraw/zinc/62/07/91/618620791.db2.gz OVGYKDQSCIKJHB-IAGOWNOFSA-N 2 2 306.425 3.025 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793331 618621112 /nfs/dbraw/zinc/62/11/12/618621112.db2.gz IIGPQDSLEGSISO-MAUKXSAKSA-N 2 2 302.462 3.058 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C)cc1 ZINC000925798339 618622285 /nfs/dbraw/zinc/62/22/85/618622285.db2.gz WCYIUJPAVWGAJC-ROUUACIJSA-N 2 2 302.462 3.194 20 0 DGADLP Clc1cc(Cl)cc(CC[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000893706819 618646454 /nfs/dbraw/zinc/64/64/54/618646454.db2.gz MFOYFWWLLJKGAG-AWEZNQCLSA-N 2 2 310.228 3.337 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894019457 618693676 /nfs/dbraw/zinc/69/36/76/618693676.db2.gz CQRBNNXKBWUIEO-NSHDSACASA-N 2 2 309.866 3.333 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894019457 618693677 /nfs/dbraw/zinc/69/36/77/618693677.db2.gz CQRBNNXKBWUIEO-NSHDSACASA-N 2 2 309.866 3.333 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062893 618702691 /nfs/dbraw/zinc/70/26/91/618702691.db2.gz GFNSKZBMZUEROL-MRXNPFEDSA-N 2 2 320.477 3.176 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062893 618702695 /nfs/dbraw/zinc/70/26/95/618702695.db2.gz GFNSKZBMZUEROL-MRXNPFEDSA-N 2 2 320.477 3.176 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062893 618702697 /nfs/dbraw/zinc/70/26/97/618702697.db2.gz GFNSKZBMZUEROL-MRXNPFEDSA-N 2 2 320.477 3.176 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062893 618702699 /nfs/dbraw/zinc/70/26/99/618702699.db2.gz GFNSKZBMZUEROL-MRXNPFEDSA-N 2 2 320.477 3.176 20 0 DGADLP Clc1nccc2cc(C[NH2+]CCCn3cc[nH+]c3)sc21 ZINC000894144765 618720165 /nfs/dbraw/zinc/72/01/65/618720165.db2.gz AYFZWUNTYWGAJT-UHFFFAOYSA-N 2 2 306.822 3.326 20 0 DGADLP Oc1cccc2sc(C[NH2+]CCCCn3cc[nH+]c3)cc21 ZINC000894200162 618727806 /nfs/dbraw/zinc/72/78/06/618727806.db2.gz WDBNGJNQMKOBDW-UHFFFAOYSA-N 2 2 301.415 3.373 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000894288615 618753115 /nfs/dbraw/zinc/75/31/15/618753115.db2.gz WDHPQLNOPIIKAL-CJNGLKHVSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000894288615 618753117 /nfs/dbraw/zinc/75/31/17/618753117.db2.gz WDHPQLNOPIIKAL-CJNGLKHVSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2COCC2(C)C)c(C)c1 ZINC000894356484 618771071 /nfs/dbraw/zinc/77/10/71/618771071.db2.gz KGNPQDWYGXUYSB-ZWKOTPCHSA-N 2 2 313.445 3.256 20 0 DGADLP CCc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)nc(CC)[nH+]1 ZINC000895891031 618846552 /nfs/dbraw/zinc/84/65/52/618846552.db2.gz NZPRHTRDGAUIQD-INIZCTEOSA-N 2 2 313.449 3.101 20 0 DGADLP C[C@@H](CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1 ZINC000897227182 619032460 /nfs/dbraw/zinc/03/24/60/619032460.db2.gz BYPJAUMKPSGKTJ-LPHOPBHVSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@@H](CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1ccccc1 ZINC000897227182 619032463 /nfs/dbraw/zinc/03/24/63/619032463.db2.gz BYPJAUMKPSGKTJ-LPHOPBHVSA-N 2 2 302.462 3.023 20 0 DGADLP Clc1ccnc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925167967 619063997 /nfs/dbraw/zinc/06/39/97/619063997.db2.gz FLEHOQFMFIKXTE-SWLSCSKDSA-N 2 2 316.836 3.476 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(C)(C)O)cc1 ZINC000925233303 619088695 /nfs/dbraw/zinc/08/86/95/619088695.db2.gz UWHFARHGYYHAIU-HNNXBMFYSA-N 2 2 313.445 3.462 20 0 DGADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OC)n1 ZINC000925233532 619088911 /nfs/dbraw/zinc/08/89/11/619088911.db2.gz XJDNLYIGEKQSCI-AWEZNQCLSA-N 2 2 300.406 3.028 20 0 DGADLP FC(F)Oc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897980849 619202523 /nfs/dbraw/zinc/20/25/23/619202523.db2.gz DYSZFBKHTWDOQR-UHFFFAOYSA-N 2 2 310.388 3.395 20 0 DGADLP Cn1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(-c2ccccc2)n1 ZINC000897981864 619202915 /nfs/dbraw/zinc/20/29/15/619202915.db2.gz SPPDUJFWTPZSES-UHFFFAOYSA-N 2 2 324.472 3.194 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897980997 619203089 /nfs/dbraw/zinc/20/30/89/619203089.db2.gz HQEDNOAVKKPWAC-UHFFFAOYSA-N 2 2 324.472 3.492 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1Cl ZINC000841058368 619249555 /nfs/dbraw/zinc/24/95/55/619249555.db2.gz WJPWBLCOGMAKIT-MRXNPFEDSA-N 2 2 312.889 3.124 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000926953343 619252391 /nfs/dbraw/zinc/25/23/91/619252391.db2.gz AUQIXHKCPPLIFM-HKUYNNGSSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000926953343 619252392 /nfs/dbraw/zinc/25/23/92/619252392.db2.gz AUQIXHKCPPLIFM-HKUYNNGSSA-N 2 2 324.472 3.094 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)s1)C[NH+](C)C ZINC000926960108 619252531 /nfs/dbraw/zinc/25/25/31/619252531.db2.gz MAYDGGFQPJSAPG-WDEREUQCSA-N 2 2 324.412 3.384 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1sc(C(C)C)nc1C)C[NH+](C)C ZINC000926966183 619253514 /nfs/dbraw/zinc/25/35/14/619253514.db2.gz VXBMJJMTYJPHCE-GXTWGEPZSA-N 2 2 313.511 3.192 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1sc(C(C)C)nc1C)C[NH+](C)C ZINC000926966185 619253762 /nfs/dbraw/zinc/25/37/62/619253762.db2.gz VXBMJJMTYJPHCE-OCCSQVGLSA-N 2 2 313.511 3.192 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(OC(C)C)cc1)C[NH+](C)C ZINC000926966295 619254182 /nfs/dbraw/zinc/25/41/82/619254182.db2.gz WGJOZYCBJCRNTN-QAPCUYQASA-N 2 2 308.466 3.091 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924688980 619257978 /nfs/dbraw/zinc/25/79/78/619257978.db2.gz VXLLPPXSYHRDLP-QRVBRYPASA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924688980 619257979 /nfs/dbraw/zinc/25/79/79/619257979.db2.gz VXLLPPXSYHRDLP-QRVBRYPASA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924688980 619257980 /nfs/dbraw/zinc/25/79/80/619257980.db2.gz VXLLPPXSYHRDLP-QRVBRYPASA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924688980 619257982 /nfs/dbraw/zinc/25/79/82/619257982.db2.gz VXLLPPXSYHRDLP-QRVBRYPASA-N 3 2 307.526 3.248 20 0 DGADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(OC)n1 ZINC000924730424 619269128 /nfs/dbraw/zinc/26/91/28/619269128.db2.gz PVHSFKGWSVFYSC-GDBMZVCRSA-N 2 2 316.449 3.442 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(C)(C)O)cc1 ZINC000924731842 619273519 /nfs/dbraw/zinc/27/35/19/619273519.db2.gz KVJOUJLVHZOMEL-OAHLLOKOSA-N 2 2 301.434 3.242 20 0 DGADLP Cc1cc(NCc2ccnn2-c2cc[nH+]cc2)nc(C(C)C)[nH+]1 ZINC000902186981 619598042 /nfs/dbraw/zinc/59/80/42/619598042.db2.gz YSRAXMLXZIYJJK-UHFFFAOYSA-N 2 2 308.389 3.101 20 0 DGADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(F)cc1F ZINC000902386005 619629626 /nfs/dbraw/zinc/62/96/26/619629626.db2.gz AWIISADPMOLVMU-JKSUJKDBSA-N 2 2 320.387 3.066 20 0 DGADLP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000902765656 619672686 /nfs/dbraw/zinc/67/26/86/619672686.db2.gz RXDZEQHEFWZYCT-HOTGVXAUSA-N 2 2 317.408 3.449 20 0 DGADLP C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902831555 619681754 /nfs/dbraw/zinc/68/17/54/619681754.db2.gz BAFAFUKXUONEFF-QFBILLFUSA-N 2 2 321.424 3.299 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000902962249 619698112 /nfs/dbraw/zinc/69/81/12/619698112.db2.gz DMDXBYYFJPZQMH-YEWWUXTCSA-N 2 2 311.429 3.120 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902992443 619700409 /nfs/dbraw/zinc/70/04/09/619700409.db2.gz KHNSXRZLLDFEOD-OAHLLOKOSA-N 2 2 321.428 3.184 20 0 DGADLP C[C@H]([NH2+]CC1(CF)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903008386 619704110 /nfs/dbraw/zinc/70/41/10/619704110.db2.gz NVIKWLSAXYASAP-HNNXBMFYSA-N 2 2 317.408 3.289 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038549 619705564 /nfs/dbraw/zinc/70/55/64/619705564.db2.gz YFYHMRPTCBPRGN-ZMSDIMECSA-N 2 2 301.434 3.320 20 0 DGADLP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000903177521 619730667 /nfs/dbraw/zinc/73/06/67/619730667.db2.gz ONTCKQDCCMDMIH-GOEBONIOSA-N 2 2 305.809 3.183 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000903343695 619760683 /nfs/dbraw/zinc/76/06/83/619760683.db2.gz JNKYDLDKDBAAMF-SJLPKXTDSA-N 2 2 301.478 3.114 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000903343695 619760684 /nfs/dbraw/zinc/76/06/84/619760684.db2.gz JNKYDLDKDBAAMF-SJLPKXTDSA-N 2 2 301.478 3.114 20 0 DGADLP C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903358407 619764552 /nfs/dbraw/zinc/76/45/52/619764552.db2.gz IRIODEBGVDHOSQ-VDZJLULYSA-N 2 2 323.440 3.482 20 0 DGADLP COC1(C[C@H](C)[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCC1 ZINC000903380543 619768558 /nfs/dbraw/zinc/76/85/58/619768558.db2.gz NMINVGGOKUGFDN-DOTOQJQBSA-N 2 2 305.466 3.012 20 0 DGADLP C[C@@H](Cc1ccsc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385178 619769486 /nfs/dbraw/zinc/76/94/86/619769486.db2.gz VTUJYAUFICIFPV-WMLDXEAASA-N 2 2 303.475 3.357 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000903454392 619779333 /nfs/dbraw/zinc/77/93/33/619779333.db2.gz BFISYTYVHLHDMQ-LBPRGKRZSA-N 2 2 315.230 3.066 20 0 DGADLP [NH3+]CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903481421 619780737 /nfs/dbraw/zinc/78/07/37/619780737.db2.gz BLHHZIGJIVIKGO-YOWGUQMCSA-N 2 2 314.807 3.392 20 0 DGADLP [NH3+]CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903481421 619780738 /nfs/dbraw/zinc/78/07/38/619780738.db2.gz BLHHZIGJIVIKGO-YOWGUQMCSA-N 2 2 314.807 3.392 20 0 DGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805653 619816568 /nfs/dbraw/zinc/81/65/68/619816568.db2.gz QOLGQMWIGNEARX-YLFCFFPRSA-N 2 2 306.400 3.239 20 0 DGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903805653 619816571 /nfs/dbraw/zinc/81/65/71/619816571.db2.gz QOLGQMWIGNEARX-YLFCFFPRSA-N 2 2 306.400 3.239 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903804473 619816710 /nfs/dbraw/zinc/81/67/10/619816710.db2.gz HEGDFWCBRTWFIL-VQIMIIECSA-N 2 2 311.429 3.353 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903804473 619816713 /nfs/dbraw/zinc/81/67/13/619816713.db2.gz HEGDFWCBRTWFIL-VQIMIIECSA-N 2 2 311.429 3.353 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(Nc3ccccc3)n1)C2 ZINC000903842148 619822401 /nfs/dbraw/zinc/82/24/01/619822401.db2.gz KLHZEEHLUSUJHW-ZENOOKHLSA-N 2 2 314.458 3.198 20 0 DGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(Nc3ccccc3)n1)C2 ZINC000903842148 619822402 /nfs/dbraw/zinc/82/24/02/619822402.db2.gz KLHZEEHLUSUJHW-ZENOOKHLSA-N 2 2 314.458 3.198 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccccc3F)n1)C2 ZINC000903843471 619822548 /nfs/dbraw/zinc/82/25/48/619822548.db2.gz LNTDOGALKOMNTL-OBJOEFQTSA-N 2 2 317.433 3.261 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccccc3F)n1)C2 ZINC000903843471 619822552 /nfs/dbraw/zinc/82/25/52/619822552.db2.gz LNTDOGALKOMNTL-OBJOEFQTSA-N 2 2 317.433 3.261 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903931438 619836607 /nfs/dbraw/zinc/83/66/07/619836607.db2.gz DSMHSIOOBQPPCE-CABCVRRESA-N 2 2 312.404 3.075 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903931438 619836608 /nfs/dbraw/zinc/83/66/08/619836608.db2.gz DSMHSIOOBQPPCE-CABCVRRESA-N 2 2 312.404 3.075 20 0 DGADLP [NH3+][C@H](C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)CC(F)F ZINC000903932941 619836674 /nfs/dbraw/zinc/83/66/74/619836674.db2.gz XXQDOQYJCVIZAC-JTQLQIEISA-N 2 2 324.293 3.146 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903931440 619836711 /nfs/dbraw/zinc/83/67/11/619836711.db2.gz DSMHSIOOBQPPCE-HUUCEWRRSA-N 2 2 312.404 3.075 20 0 DGADLP COc1ccc(C[C@H]2CCCC[N@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903931440 619836713 /nfs/dbraw/zinc/83/67/13/619836713.db2.gz DSMHSIOOBQPPCE-HUUCEWRRSA-N 2 2 312.404 3.075 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000903941213 619841518 /nfs/dbraw/zinc/84/15/18/619841518.db2.gz QVVRTQLWNNNSNR-UHFFFAOYSA-N 2 2 301.459 3.085 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000903941213 619841522 /nfs/dbraw/zinc/84/15/22/619841522.db2.gz QVVRTQLWNNNSNR-UHFFFAOYSA-N 2 2 301.459 3.085 20 0 DGADLP Fc1cc2c(cc1F)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000903949134 619844677 /nfs/dbraw/zinc/84/46/77/619844677.db2.gz YPLWGFUEQJOUCF-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP Fc1cc2c(cc1F)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000903949134 619844678 /nfs/dbraw/zinc/84/46/78/619844678.db2.gz YPLWGFUEQJOUCF-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP c1ccc2c(c1)cccc2C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974053 619847513 /nfs/dbraw/zinc/84/75/13/619847513.db2.gz KJHVMKDLEBZUAH-SFHVURJKSA-N 2 2 310.441 3.088 20 0 DGADLP c1ccc2cc(C[NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)ccc2c1 ZINC000903974583 619847675 /nfs/dbraw/zinc/84/76/75/619847675.db2.gz RBLIMALOOBDCOH-IBGZPJMESA-N 2 2 310.441 3.088 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972699 619847683 /nfs/dbraw/zinc/84/76/83/619847683.db2.gz KGVGJBUIBZSWRR-IBGZPJMESA-N 2 2 316.489 3.133 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000904389864 619917647 /nfs/dbraw/zinc/91/76/47/619917647.db2.gz WSJZUVSMMCQMRW-CQSZACIVSA-N 2 2 307.507 3.185 20 0 DGADLP c1cncc(-c2cccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)c1 ZINC000904431746 619921689 /nfs/dbraw/zinc/92/16/89/619921689.db2.gz ZMUPLLMJLBDTEX-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2)c1 ZINC000904431746 619921690 /nfs/dbraw/zinc/92/16/90/619921690.db2.gz ZMUPLLMJLBDTEX-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000904462282 619922698 /nfs/dbraw/zinc/92/26/98/619922698.db2.gz TUBIBXWLAGVSFJ-RTBURBONSA-N 2 2 318.424 3.099 20 0 DGADLP Cc1ccc2cc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3[NH3+])ccc2n1 ZINC000904458884 619924020 /nfs/dbraw/zinc/92/40/20/619924020.db2.gz IUQGJLZHJXVRAE-WOJBJXKFSA-N 2 2 303.409 3.258 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1sccc1Br ZINC000148886969 619966096 /nfs/dbraw/zinc/96/60/96/619966096.db2.gz WNIIKAOMVPNALD-FGWVZKOKSA-N 2 2 315.280 3.355 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1sccc1Br ZINC000148886969 619966099 /nfs/dbraw/zinc/96/60/99/619966099.db2.gz WNIIKAOMVPNALD-FGWVZKOKSA-N 2 2 315.280 3.355 20 0 DGADLP c1cn(Cc2cccc(-c3cncc([C@@H]4CCC[NH2+]4)c3)c2)c[nH+]1 ZINC000906159044 620061279 /nfs/dbraw/zinc/06/12/79/620061279.db2.gz PRWDASKVEHAJQC-IBGZPJMESA-N 2 2 304.397 3.418 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906359735 620090486 /nfs/dbraw/zinc/09/04/86/620090486.db2.gz ORAOHILNSFTFOW-CQSZACIVSA-N 2 2 305.466 3.247 20 0 DGADLP Cc1cc2ncn(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2cc1C ZINC000152094716 620491485 /nfs/dbraw/zinc/49/14/85/620491485.db2.gz AQIQSQFCFDWIIS-UHFFFAOYSA-N 2 2 309.417 3.144 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)[nH+]c1 ZINC000921666799 620929926 /nfs/dbraw/zinc/92/99/26/620929926.db2.gz IJAVJDDVJNCFCD-GVDBMIGSSA-N 2 2 303.450 3.069 20 0 DGADLP c1ccc(NCCCC[NH2+]Cc2nccc3c2CCCC3)[nH+]c1 ZINC000921666231 620929978 /nfs/dbraw/zinc/92/99/78/620929978.db2.gz BZWVIOALEDWFNY-UHFFFAOYSA-N 2 2 310.445 3.337 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778006 621020323 /nfs/dbraw/zinc/02/03/23/621020323.db2.gz GGPAPQXLDSBWOY-SECBINFHSA-N 2 2 318.730 3.301 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1cccnc1 ZINC000922631103 621070073 /nfs/dbraw/zinc/07/00/73/621070073.db2.gz IXASDXDATQMUSV-GOSISDBHSA-N 2 2 308.429 3.346 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)c[nH+]1 ZINC000922892746 621120238 /nfs/dbraw/zinc/12/02/38/621120238.db2.gz QRSHXQLRMONXFE-IEBWSBKVSA-N 2 2 311.429 3.167 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000857851083 621122358 /nfs/dbraw/zinc/12/23/58/621122358.db2.gz GRVPABKUCSJNOR-HKUYNNGSSA-N 2 2 324.472 3.289 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000857851083 621122359 /nfs/dbraw/zinc/12/23/59/621122359.db2.gz GRVPABKUCSJNOR-HKUYNNGSSA-N 2 2 324.472 3.289 20 0 DGADLP Oc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000922975969 621141091 /nfs/dbraw/zinc/14/10/91/621141091.db2.gz PMGFAOQLHLFXAU-GOSISDBHSA-N 2 2 323.440 3.074 20 0 DGADLP Oc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000922975969 621141093 /nfs/dbraw/zinc/14/10/93/621141093.db2.gz PMGFAOQLHLFXAU-GOSISDBHSA-N 2 2 323.440 3.074 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000838934914 621305585 /nfs/dbraw/zinc/30/55/85/621305585.db2.gz BKNBGRRBWOEHAO-CQSZACIVSA-N 2 2 323.362 3.471 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000838934914 621305587 /nfs/dbraw/zinc/30/55/87/621305587.db2.gz BKNBGRRBWOEHAO-CQSZACIVSA-N 2 2 323.362 3.471 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000754120570 621489242 /nfs/dbraw/zinc/48/92/42/621489242.db2.gz IMHYTUHENAZKDY-WBVHZDCISA-N 2 2 301.459 3.492 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1O ZINC000756099740 621614965 /nfs/dbraw/zinc/61/49/65/621614965.db2.gz TUYXTGXAHADREU-CVEARBPZSA-N 2 2 320.477 3.186 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC000865725775 621984005 /nfs/dbraw/zinc/98/40/05/621984005.db2.gz OHUQSGGCUFQAHD-ZDUSSCGKSA-N 2 2 310.429 3.279 20 0 DGADLP Cc1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000761120044 621988521 /nfs/dbraw/zinc/98/85/21/621988521.db2.gz RJXPRWWNUWHCKB-UHFFFAOYSA-N 2 2 311.429 3.345 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838280 622004932 /nfs/dbraw/zinc/00/49/32/622004932.db2.gz SNUDHQZMGFUTCV-SJLPKXTDSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838280 622004934 /nfs/dbraw/zinc/00/49/34/622004934.db2.gz SNUDHQZMGFUTCV-SJLPKXTDSA-N 2 2 324.472 3.268 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(O)c(Cl)c3)CC2)cc[nH+]1 ZINC000866125777 622049538 /nfs/dbraw/zinc/04/95/38/622049538.db2.gz QDHCKGKZGTVPRL-UHFFFAOYSA-N 2 2 317.820 3.071 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000765251236 622253831 /nfs/dbraw/zinc/25/38/31/622253831.db2.gz NEXUPEQVWDYXDK-BBRMVZONSA-N 2 2 301.438 3.055 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1 ZINC000765525106 622270728 /nfs/dbraw/zinc/27/07/28/622270728.db2.gz IUHQKNCCPDFZAJ-VYDXJSESSA-N 2 2 312.461 3.314 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccccc1 ZINC000765525106 622270729 /nfs/dbraw/zinc/27/07/29/622270729.db2.gz IUHQKNCCPDFZAJ-VYDXJSESSA-N 2 2 312.461 3.314 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000765814561 622289370 /nfs/dbraw/zinc/28/93/70/622289370.db2.gz DWZLXFXBNUOXES-YESZJQIVSA-N 2 2 302.466 3.058 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000765814561 622289374 /nfs/dbraw/zinc/28/93/74/622289374.db2.gz DWZLXFXBNUOXES-YESZJQIVSA-N 2 2 302.466 3.058 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC000765859430 622291657 /nfs/dbraw/zinc/29/16/57/622291657.db2.gz KRRKXNZDYVDWDQ-HNNXBMFYSA-N 2 2 322.468 3.236 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000765977065 622297837 /nfs/dbraw/zinc/29/78/37/622297837.db2.gz PQZCNGVCWONITL-WMLDXEAASA-N 2 2 306.450 3.136 20 0 DGADLP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000765976949 622297860 /nfs/dbraw/zinc/29/78/60/622297860.db2.gz OQCLMBMUTGFKKA-CZUORRHYSA-N 2 2 323.506 3.054 20 0 DGADLP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000765976946 622297956 /nfs/dbraw/zinc/29/79/56/622297956.db2.gz OQCLMBMUTGFKKA-CJNGLKHVSA-N 2 2 323.506 3.054 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1OC ZINC000123098422 622463357 /nfs/dbraw/zinc/46/33/57/622463357.db2.gz XBWGPKMPGYULEQ-NVXWUHKLSA-N 2 2 322.493 3.201 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CCC34CC(C3)C[NH2+]4)c2)[nH+]c1C ZINC000870872489 622521079 /nfs/dbraw/zinc/52/10/79/622521079.db2.gz XMOHJTMMSOBIOY-UHFFFAOYSA-N 2 2 324.428 3.164 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770002424 622588742 /nfs/dbraw/zinc/58/87/42/622588742.db2.gz SXJDQLBAUVUKSE-ZWKOTPCHSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770002424 622588748 /nfs/dbraw/zinc/58/87/48/622588748.db2.gz SXJDQLBAUVUKSE-ZWKOTPCHSA-N 2 2 322.880 3.324 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872023561 622757147 /nfs/dbraw/zinc/75/71/47/622757147.db2.gz ISBKNMWIGUKWGN-JKSUJKDBSA-N 2 2 305.466 3.379 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000872028403 622760899 /nfs/dbraw/zinc/76/08/99/622760899.db2.gz QRPKYOYHOFXMFB-QGZVFWFLSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087367 622798030 /nfs/dbraw/zinc/79/80/30/622798030.db2.gz IPJXMRRTDGNGRX-HIFRSBDPSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1F ZINC000872087367 622798035 /nfs/dbraw/zinc/79/80/35/622798035.db2.gz IPJXMRRTDGNGRX-HIFRSBDPSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@@H+]1C ZINC000872117634 622817409 /nfs/dbraw/zinc/81/74/09/622817409.db2.gz UQUADOZMVOGXGO-ONGXEEELSA-N 2 2 321.774 3.326 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@H+]1C ZINC000872117634 622817417 /nfs/dbraw/zinc/81/74/17/622817417.db2.gz UQUADOZMVOGXGO-ONGXEEELSA-N 2 2 321.774 3.326 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1C(F)(F)F ZINC000872149252 622833995 /nfs/dbraw/zinc/83/39/95/622833995.db2.gz MYESMIFXJKSSBP-GXSJLCMTSA-N 2 2 324.749 3.091 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1C(F)(F)F ZINC000872149252 622834001 /nfs/dbraw/zinc/83/40/01/622834001.db2.gz MYESMIFXJKSSBP-GXSJLCMTSA-N 2 2 324.749 3.091 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158112 622840137 /nfs/dbraw/zinc/84/01/37/622840137.db2.gz SXZWPPRSDSGZBU-GOEBONIOSA-N 2 2 320.481 3.142 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158112 622840144 /nfs/dbraw/zinc/84/01/44/622840144.db2.gz SXZWPPRSDSGZBU-GOEBONIOSA-N 2 2 320.481 3.142 20 0 DGADLP CC(C)OC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000873166659 623058978 /nfs/dbraw/zinc/05/89/78/623058978.db2.gz IMBXKQIRINXRMJ-UHFFFAOYSA-N 2 2 305.447 3.371 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000873227759 623083017 /nfs/dbraw/zinc/08/30/17/623083017.db2.gz LVXSJBGQJLKAQA-RYUDHWBXSA-N 2 2 306.759 3.217 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000873227759 623083022 /nfs/dbraw/zinc/08/30/22/623083022.db2.gz LVXSJBGQJLKAQA-RYUDHWBXSA-N 2 2 306.759 3.217 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@H]2CCCS2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873244933 623089135 /nfs/dbraw/zinc/08/91/35/623089135.db2.gz WFLDCANPVIOKBY-SQNIBIBYSA-N 2 2 320.502 3.364 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)ccc1F ZINC000774411569 623141090 /nfs/dbraw/zinc/14/10/90/623141090.db2.gz QAZPHKAIWAPLCF-ZHALLVOQSA-N 2 2 318.436 3.038 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)ccc1F ZINC000774411569 623141093 /nfs/dbraw/zinc/14/10/93/623141093.db2.gz QAZPHKAIWAPLCF-ZHALLVOQSA-N 2 2 318.436 3.038 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)[nH+]c1 ZINC000775379066 623262393 /nfs/dbraw/zinc/26/23/93/623262393.db2.gz DIOVNKZKXXSDAI-YCPHGPKFSA-N 2 2 323.531 3.243 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775386811 623264892 /nfs/dbraw/zinc/26/48/92/623264892.db2.gz UQFUSXMFZAUHSA-DGADGQDISA-N 2 2 314.564 3.219 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775386811 623264896 /nfs/dbraw/zinc/26/48/96/623264896.db2.gz UQFUSXMFZAUHSA-DGADGQDISA-N 2 2 314.564 3.219 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876560110 623644690 /nfs/dbraw/zinc/64/46/90/623644690.db2.gz FVHVHRGRDRVHBQ-UHFFFAOYSA-N 2 2 307.825 3.397 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876560110 623644695 /nfs/dbraw/zinc/64/46/95/623644695.db2.gz FVHVHRGRDRVHBQ-UHFFFAOYSA-N 2 2 307.825 3.397 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000876650363 623670508 /nfs/dbraw/zinc/67/05/08/623670508.db2.gz CNTKVHKHZGRPSF-UHFFFAOYSA-N 2 2 303.381 3.327 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000876927341 623746174 /nfs/dbraw/zinc/74/61/74/623746174.db2.gz ZJMQCMPCFFXUTJ-AVYPCKFXSA-N 2 2 304.415 3.173 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000876947739 623751944 /nfs/dbraw/zinc/75/19/44/623751944.db2.gz GAGSYUAUPHIKSR-UHFFFAOYSA-N 2 2 312.461 3.291 20 0 DGADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)Cc1ccccc1 ZINC000876955763 623753529 /nfs/dbraw/zinc/75/35/29/623753529.db2.gz CDFBGHVUVGZLDT-ROUUACIJSA-N 2 2 315.461 3.145 20 0 DGADLP COc1c(C)cnc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000876956314 623753827 /nfs/dbraw/zinc/75/38/27/623753827.db2.gz JRMQGILDPHCGLF-MRXNPFEDSA-N 2 2 316.449 3.108 20 0 DGADLP Nc1c(Cl)cccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000877007002 623765287 /nfs/dbraw/zinc/76/52/87/623765287.db2.gz ZOFIMLBQFLUQGF-UHFFFAOYSA-N 2 2 304.825 3.299 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000877631113 623970802 /nfs/dbraw/zinc/97/08/02/623970802.db2.gz FGZAZCZHFVPPCI-QYWGDWMGSA-N 2 2 318.442 3.419 20 0 DGADLP CCOCOc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1 ZINC000877689918 623994023 /nfs/dbraw/zinc/99/40/23/623994023.db2.gz LLBHHDXNQLWOLS-UHFFFAOYSA-N 2 2 320.477 3.366 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740924 624014261 /nfs/dbraw/zinc/01/42/61/624014261.db2.gz LDUVABHEAQHXMS-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740924 624014263 /nfs/dbraw/zinc/01/42/63/624014263.db2.gz LDUVABHEAQHXMS-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740924 624014265 /nfs/dbraw/zinc/01/42/65/624014265.db2.gz LDUVABHEAQHXMS-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cc(Cl)cnc4o3)CC[C@@H]21 ZINC000877740924 624014266 /nfs/dbraw/zinc/01/42/66/624014266.db2.gz LDUVABHEAQHXMS-NHYWBVRUSA-N 2 2 305.809 3.007 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OCC ZINC000877744512 624016884 /nfs/dbraw/zinc/01/68/84/624016884.db2.gz VAAAAWKJSJNDSE-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OCC ZINC000877744512 624016886 /nfs/dbraw/zinc/01/68/86/624016886.db2.gz VAAAAWKJSJNDSE-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1OCC ZINC000877744512 624016891 /nfs/dbraw/zinc/01/68/91/624016891.db2.gz VAAAAWKJSJNDSE-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1OCC ZINC000877744512 624016892 /nfs/dbraw/zinc/01/68/92/624016892.db2.gz VAAAAWKJSJNDSE-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccnn1C ZINC000877761318 624025852 /nfs/dbraw/zinc/02/58/52/624025852.db2.gz FGMPQYYCZTVZSW-XAUMDUMWSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccnn1C ZINC000877761318 624025855 /nfs/dbraw/zinc/02/58/55/624025855.db2.gz FGMPQYYCZTVZSW-XAUMDUMWSA-N 2 2 324.472 3.439 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)c[nH+]1 ZINC000878402500 624268816 /nfs/dbraw/zinc/26/88/16/624268816.db2.gz KRFFCRIFRCZBMC-GBESFXJTSA-N 2 2 317.477 3.333 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782755327 624280153 /nfs/dbraw/zinc/28/01/53/624280153.db2.gz BOZVRKRTNCCSAV-RBUKOAKNSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782755327 624280157 /nfs/dbraw/zinc/28/01/57/624280157.db2.gz BOZVRKRTNCCSAV-RBUKOAKNSA-N 2 2 302.462 3.228 20 0 DGADLP c1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761156 624280692 /nfs/dbraw/zinc/28/06/92/624280692.db2.gz OYFAISLXUXRWLW-VQTJNVASSA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761156 624280694 /nfs/dbraw/zinc/28/06/94/624280694.db2.gz OYFAISLXUXRWLW-VQTJNVASSA-N 2 2 314.473 3.228 20 0 DGADLP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000879201539 624449606 /nfs/dbraw/zinc/44/96/06/624449606.db2.gz LVQRYMVSIJWZTO-IBGZPJMESA-N 2 2 316.489 3.287 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920390 624722120 /nfs/dbraw/zinc/72/21/20/624722120.db2.gz ZEXANMGGBWDBCN-INIZCTEOSA-N 2 2 315.465 3.308 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920390 624722125 /nfs/dbraw/zinc/72/21/25/624722125.db2.gz ZEXANMGGBWDBCN-INIZCTEOSA-N 2 2 315.465 3.308 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000880089344 624779872 /nfs/dbraw/zinc/77/98/72/624779872.db2.gz AVBVPDRUPGPDIF-GDBMZVCRSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000880089344 624779875 /nfs/dbraw/zinc/77/98/75/624779875.db2.gz AVBVPDRUPGPDIF-GDBMZVCRSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000880089344 624779877 /nfs/dbraw/zinc/77/98/77/624779877.db2.gz AVBVPDRUPGPDIF-GDBMZVCRSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000880089344 624779880 /nfs/dbraw/zinc/77/98/80/624779880.db2.gz AVBVPDRUPGPDIF-GDBMZVCRSA-N 2 2 318.461 3.107 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880131612 624799312 /nfs/dbraw/zinc/79/93/12/624799312.db2.gz JPXDPFAYAXBRJI-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880131612 624799317 /nfs/dbraw/zinc/79/93/17/624799317.db2.gz JPXDPFAYAXBRJI-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131612 624799320 /nfs/dbraw/zinc/79/93/20/624799320.db2.gz JPXDPFAYAXBRJI-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131612 624799327 /nfs/dbraw/zinc/79/93/27/624799327.db2.gz JPXDPFAYAXBRJI-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@@H]3CCC[N@H+]4C)cc2)n1 ZINC000880137275 624801185 /nfs/dbraw/zinc/80/11/85/624801185.db2.gz AXNRBVWIAYEXLG-PMACEKPBSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@@H]3CCC[N@@H+]4C)cc2)n1 ZINC000880137275 624801190 /nfs/dbraw/zinc/80/11/90/624801190.db2.gz AXNRBVWIAYEXLG-PMACEKPBSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4[C@@H]3CCC[NH+]4C)cc2)n1 ZINC000880137275 624801194 /nfs/dbraw/zinc/80/11/94/624801194.db2.gz AXNRBVWIAYEXLG-PMACEKPBSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H]3CCC[NH+]4C)cc2)n1 ZINC000880137275 624801197 /nfs/dbraw/zinc/80/11/97/624801197.db2.gz AXNRBVWIAYEXLG-PMACEKPBSA-N 2 2 324.472 3.158 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138036 624804448 /nfs/dbraw/zinc/80/44/48/624804448.db2.gz OSSRFJNXALBLMV-QZTJIDSGSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138036 624804453 /nfs/dbraw/zinc/80/44/53/624804453.db2.gz OSSRFJNXALBLMV-QZTJIDSGSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCSCc1ccccc1 ZINC000880138036 624804455 /nfs/dbraw/zinc/80/44/55/624804455.db2.gz OSSRFJNXALBLMV-QZTJIDSGSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCSCc1ccccc1 ZINC000880138036 624804458 /nfs/dbraw/zinc/80/44/58/624804458.db2.gz OSSRFJNXALBLMV-QZTJIDSGSA-N 2 2 304.503 3.478 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209006 624842478 /nfs/dbraw/zinc/84/24/78/624842478.db2.gz XQRYOMUPBYJGEG-SJLPKXTDSA-N 2 2 302.462 3.289 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209006 624842484 /nfs/dbraw/zinc/84/24/84/624842484.db2.gz XQRYOMUPBYJGEG-SJLPKXTDSA-N 2 2 302.462 3.289 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208518 624842619 /nfs/dbraw/zinc/84/26/19/624842619.db2.gz IDWTZBPQVSKBBU-QFBILLFUSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208518 624842627 /nfs/dbraw/zinc/84/26/27/624842627.db2.gz IDWTZBPQVSKBBU-QFBILLFUSA-N 2 2 302.462 3.023 20 0 DGADLP CCOC(=O)CCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880255404 624871632 /nfs/dbraw/zinc/87/16/32/624871632.db2.gz KGPFVMRRTDTDSE-UHFFFAOYSA-N 2 2 310.482 3.060 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000880571862 624979891 /nfs/dbraw/zinc/97/98/91/624979891.db2.gz UKVPUYCXLZPYOM-MRXNPFEDSA-N 2 2 312.442 3.488 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)c2ccccc2)c[nH+]1 ZINC000880569967 624980170 /nfs/dbraw/zinc/98/01/70/624980170.db2.gz NEMRWWMCDWHUKG-ROUUACIJSA-N 2 2 311.429 3.316 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC(C)(C)C3)CC2)cc1 ZINC000788582428 625219995 /nfs/dbraw/zinc/21/99/95/625219995.db2.gz JFKODDJPILFXRI-UHFFFAOYSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)c1cc[nH]c(=O)c1 ZINC000788817018 625275064 /nfs/dbraw/zinc/27/50/64/625275064.db2.gz WLBGVRQMEPPZTQ-INIZCTEOSA-N 2 2 317.477 3.484 20 0 DGADLP Cc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)c(N(C)C)[nH+]1 ZINC000791139725 625755124 /nfs/dbraw/zinc/75/51/24/625755124.db2.gz MOCPTQMDQNMIQG-UHFFFAOYSA-N 2 2 318.465 3.049 20 0 DGADLP Cc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c(N(C)C)[nH+]1 ZINC000791139725 625755127 /nfs/dbraw/zinc/75/51/27/625755127.db2.gz MOCPTQMDQNMIQG-UHFFFAOYSA-N 2 2 318.465 3.049 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cccc3c2CCOC3)c[nH+]1 ZINC000882918233 625860705 /nfs/dbraw/zinc/86/07/05/625860705.db2.gz GOZAQVPQTFAEFZ-UHFFFAOYSA-N 2 2 319.408 3.235 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012291 625896341 /nfs/dbraw/zinc/89/63/41/625896341.db2.gz AVDVHRRVAYUJAZ-KGLIPLIRSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012291 625896350 /nfs/dbraw/zinc/89/63/50/625896350.db2.gz AVDVHRRVAYUJAZ-KGLIPLIRSA-N 2 2 300.450 3.097 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000883122140 625934038 /nfs/dbraw/zinc/93/40/38/625934038.db2.gz CGZXQOCSTPMNGO-HNNXBMFYSA-N 2 2 313.445 3.128 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000883186360 625960459 /nfs/dbraw/zinc/96/04/59/625960459.db2.gz QLRVWQTWTXHMEP-IFXJQAMLSA-N 2 2 320.452 3.366 20 0 DGADLP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000883186360 625960463 /nfs/dbraw/zinc/96/04/63/625960463.db2.gz QLRVWQTWTXHMEP-IFXJQAMLSA-N 2 2 320.452 3.366 20 0 DGADLP Cc1ccc(OC[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000796284727 626035307 /nfs/dbraw/zinc/03/53/07/626035307.db2.gz ZTYPPIYBEUSLMY-CQSZACIVSA-N 2 2 319.474 3.070 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000796766265 626080697 /nfs/dbraw/zinc/08/06/97/626080697.db2.gz UOBJTDBKKHDNCG-PWIZWCRZSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000796766265 626080698 /nfs/dbraw/zinc/08/06/98/626080698.db2.gz UOBJTDBKKHDNCG-PWIZWCRZSA-N 2 2 316.489 3.399 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000798003553 626188684 /nfs/dbraw/zinc/18/86/84/626188684.db2.gz DLXHPJMFFOLFRT-UXHICEINSA-N 2 2 313.489 3.500 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000799725856 626325076 /nfs/dbraw/zinc/32/50/76/626325076.db2.gz KEGFSLROVVEOQZ-QZTJIDSGSA-N 2 2 308.510 3.437 20 0 DGADLP CC(C)OC[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000800243833 626344351 /nfs/dbraw/zinc/34/43/51/626344351.db2.gz BFBAONKCAOMTLM-RDJZCZTQSA-N 2 2 301.434 3.107 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346885 626353193 /nfs/dbraw/zinc/35/31/93/626353193.db2.gz LDZGBUMTCHCHAW-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346885 626353195 /nfs/dbraw/zinc/35/31/95/626353195.db2.gz LDZGBUMTCHCHAW-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346885 626353198 /nfs/dbraw/zinc/35/31/98/626353198.db2.gz LDZGBUMTCHCHAW-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000800346885 626353199 /nfs/dbraw/zinc/35/31/99/626353199.db2.gz LDZGBUMTCHCHAW-QAPCUYQASA-N 2 2 322.880 3.037 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCC[C@]34CCCO4)c2)c[nH+]1 ZINC000883370650 626664510 /nfs/dbraw/zinc/66/45/10/626664510.db2.gz PJTRGDCWEPXUPK-CVEARBPZSA-N 2 2 303.431 3.125 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387006 626668919 /nfs/dbraw/zinc/66/89/19/626668919.db2.gz QEHBSEMEKIYPMN-QRVBRYPASA-N 2 2 313.445 3.418 20 0 DGADLP Clc1cccc2c(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c12 ZINC000804397042 626675802 /nfs/dbraw/zinc/67/58/02/626675802.db2.gz RYOCCKFDXPRXEI-QWHCGFSZSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1cccc2c(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c12 ZINC000804397042 626675804 /nfs/dbraw/zinc/67/58/04/626675804.db2.gz RYOCCKFDXPRXEI-QWHCGFSZSA-N 2 2 317.820 3.163 20 0 DGADLP Cc1cc(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810171347 626984309 /nfs/dbraw/zinc/98/43/09/626984309.db2.gz IJQBLEAIBQTIRJ-ZDUSSCGKSA-N 2 2 320.234 3.128 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000810212685 626988692 /nfs/dbraw/zinc/98/86/92/626988692.db2.gz VSJHDZQGYBPLLJ-AWEZNQCLSA-N 2 2 323.396 3.437 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000886171208 627117173 /nfs/dbraw/zinc/11/71/73/627117173.db2.gz AHLLWYGILSHCKA-SJLPKXTDSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000886171208 627117175 /nfs/dbraw/zinc/11/71/75/627117175.db2.gz AHLLWYGILSHCKA-SJLPKXTDSA-N 2 2 306.494 3.475 20 0 DGADLP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000886509068 627154570 /nfs/dbraw/zinc/15/45/70/627154570.db2.gz ZLNQGUZCTWGFCG-LMDPOFIKSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000886509069 627154587 /nfs/dbraw/zinc/15/45/87/627154587.db2.gz ZLNQGUZCTWGFCG-VIQWUECVSA-N 3 2 307.526 3.248 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000886508938 627154725 /nfs/dbraw/zinc/15/47/25/627154725.db2.gz UJUBUVVIIQYZSU-UHFFFAOYSA-N 3 2 304.482 3.050 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCc2cccnc21)c1ccccc1 ZINC000886534206 627158110 /nfs/dbraw/zinc/15/81/10/627158110.db2.gz DBKGQWOFJGRZGD-ROUUACIJSA-N 2 2 318.424 3.376 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886553418 627161982 /nfs/dbraw/zinc/16/19/82/627161982.db2.gz MTUSVJSHCIBMSZ-HNAYVOBHSA-N 2 2 322.456 3.279 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000886601714 627171194 /nfs/dbraw/zinc/17/11/94/627171194.db2.gz ZZTBQGQMGQLBFG-SKINQDTJSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000886601714 627171197 /nfs/dbraw/zinc/17/11/97/627171197.db2.gz ZZTBQGQMGQLBFG-SKINQDTJSA-N 3 2 319.537 3.390 20 0 DGADLP CCc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC000886670446 627185667 /nfs/dbraw/zinc/18/56/67/627185667.db2.gz PGZYXNCXGFIICR-UHFFFAOYSA-N 2 2 304.463 3.425 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000886707498 627195573 /nfs/dbraw/zinc/19/55/73/627195573.db2.gz JNRQSELQEMNXSZ-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000886713136 627196496 /nfs/dbraw/zinc/19/64/96/627196496.db2.gz UZTUHYFKPYQCOQ-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000886715927 627196780 /nfs/dbraw/zinc/19/67/80/627196780.db2.gz JHCUQNHRTWAWRS-UHFFFAOYSA-N 2 2 300.446 3.210 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000886716405 627196891 /nfs/dbraw/zinc/19/68/91/627196891.db2.gz XYRXOGJPUYOAKD-UHFFFAOYSA-N 2 2 300.446 3.167 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000924531380 627645201 /nfs/dbraw/zinc/64/52/01/627645201.db2.gz GBWNTPHZXQISAO-FXAWDEMLSA-N 2 2 309.457 3.439 20 0 DGADLP Cc1cc(C)cc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)c1 ZINC000924550393 627648033 /nfs/dbraw/zinc/64/80/33/627648033.db2.gz DBHISUBWLDLZTI-IBGZPJMESA-N 2 2 306.413 3.274 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924603307 627655339 /nfs/dbraw/zinc/65/53/39/627655339.db2.gz REMDWXYEYBXXMK-AWEZNQCLSA-N 2 2 313.445 3.390 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924603307 627655341 /nfs/dbraw/zinc/65/53/41/627655341.db2.gz REMDWXYEYBXXMK-AWEZNQCLSA-N 2 2 313.445 3.390 20 0 DGADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](CC(C)C)[NH+](C)C)n(C)n1 ZINC000924628848 627660132 /nfs/dbraw/zinc/66/01/32/627660132.db2.gz LWWQHZUVBATEFL-YTQUADARSA-N 2 2 320.525 3.006 20 0 DGADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](CC(C)C)[NH+](C)C)n(C)n1 ZINC000924628842 627660191 /nfs/dbraw/zinc/66/01/91/627660191.db2.gz LWWQHZUVBATEFL-QXAKKESOSA-N 2 2 320.525 3.006 20 0 DGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000924660414 627664052 /nfs/dbraw/zinc/66/40/52/627664052.db2.gz YLAKVRNSJJXVCY-ZDUSSCGKSA-N 2 2 302.422 3.069 20 0 DGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000924660414 627664055 /nfs/dbraw/zinc/66/40/55/627664055.db2.gz YLAKVRNSJJXVCY-ZDUSSCGKSA-N 2 2 302.422 3.069 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)n1 ZINC000924697444 627669373 /nfs/dbraw/zinc/66/93/73/627669373.db2.gz TVPWFUJGEYSITI-RWMBFGLXSA-N 2 2 324.266 3.122 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)n1 ZINC000924697444 627669377 /nfs/dbraw/zinc/66/93/77/627669377.db2.gz TVPWFUJGEYSITI-RWMBFGLXSA-N 2 2 324.266 3.122 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000924729226 627674143 /nfs/dbraw/zinc/67/41/43/627674143.db2.gz KEHKZVPEDUWUFS-NXOAAHMSSA-N 2 2 305.466 3.093 20 0 DGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774771 627678462 /nfs/dbraw/zinc/67/84/62/627678462.db2.gz DMEGVRCQBIBWBJ-QAPCUYQASA-N 2 2 319.424 3.431 20 0 DGADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774511 627678544 /nfs/dbraw/zinc/67/85/44/627678544.db2.gz BNZDVWACELCELN-WBVHZDCISA-N 2 2 317.408 3.162 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774510 627678718 /nfs/dbraw/zinc/67/87/18/627678718.db2.gz BNZDVWACELCELN-RDJZCZTQSA-N 2 2 317.408 3.162 20 0 DGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924829867 627685109 /nfs/dbraw/zinc/68/51/09/627685109.db2.gz TXNLZDYZMKNVJW-CYBMUJFWSA-N 2 2 302.422 3.069 20 0 DGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924829867 627685111 /nfs/dbraw/zinc/68/51/11/627685111.db2.gz TXNLZDYZMKNVJW-CYBMUJFWSA-N 2 2 302.422 3.069 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924846775 627686168 /nfs/dbraw/zinc/68/61/68/627686168.db2.gz PNLLYXPLDIRAEV-AWEZNQCLSA-N 2 2 304.434 3.330 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924891574 627690972 /nfs/dbraw/zinc/69/09/72/627690972.db2.gz XDTXOCDDRNGISG-UXHICEINSA-N 2 2 324.472 3.021 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924891574 627690975 /nfs/dbraw/zinc/69/09/75/627690975.db2.gz XDTXOCDDRNGISG-UXHICEINSA-N 2 2 324.472 3.021 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924890732 627691317 /nfs/dbraw/zinc/69/13/17/627691317.db2.gz WCPFKWZMULLYRK-JYJNAYRXSA-N 2 2 319.493 3.146 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000924926137 627693844 /nfs/dbraw/zinc/69/38/44/627693844.db2.gz KNIVHCJCQFNQBN-CQSZACIVSA-N 2 2 300.406 3.028 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925158851 627714271 /nfs/dbraw/zinc/71/42/71/627714271.db2.gz BJCQPXOTVLYZNG-ZACQAIPSSA-N 2 2 318.461 3.069 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925158851 627714275 /nfs/dbraw/zinc/71/42/75/627714275.db2.gz BJCQPXOTVLYZNG-ZACQAIPSSA-N 2 2 318.461 3.069 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)nc21 ZINC000925184377 627716426 /nfs/dbraw/zinc/71/64/26/627716426.db2.gz BUBAXSAMAACHQE-HOTGVXAUSA-N 2 2 313.445 3.285 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)nc21 ZINC000925184377 627716431 /nfs/dbraw/zinc/71/64/31/627716431.db2.gz BUBAXSAMAACHQE-HOTGVXAUSA-N 2 2 313.445 3.285 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H]2CCOC2)cc1 ZINC000925297555 627728140 /nfs/dbraw/zinc/72/81/40/627728140.db2.gz GYYQYTFDTWIQMX-NMLBUPMWSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@H]2CCOC2)cc1 ZINC000925297555 627728148 /nfs/dbraw/zinc/72/81/48/627728148.db2.gz GYYQYTFDTWIQMX-NMLBUPMWSA-N 2 2 314.473 3.371 20 0 DGADLP COc1cccc(O[C@H](C)C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925513041 627744965 /nfs/dbraw/zinc/74/49/65/627744965.db2.gz HCSUHONRGXWLGO-ZRGWGRIASA-N 2 2 314.429 3.141 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541025 627750614 /nfs/dbraw/zinc/75/06/14/627750614.db2.gz GZYDRBXHYTXCQL-ACAXCVFMSA-N 3 2 315.505 3.462 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000925572756 627757045 /nfs/dbraw/zinc/75/70/45/627757045.db2.gz JTVNXFPQKXXTMJ-QZCPTFHJSA-N 2 2 316.420 3.316 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000925590566 627759755 /nfs/dbraw/zinc/75/97/55/627759755.db2.gz JIMGUJNGUGPKQJ-DLBZAZTESA-N 2 2 324.472 3.223 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1 ZINC000925596612 627760730 /nfs/dbraw/zinc/76/07/30/627760730.db2.gz XXRKOZQBPSNIAW-SJCJKPOMSA-N 2 2 306.356 3.022 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925623262 627764508 /nfs/dbraw/zinc/76/45/08/627764508.db2.gz RZAPAPRGXOUODE-KFKAGJAMSA-N 2 2 310.441 3.178 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925638821 627767139 /nfs/dbraw/zinc/76/71/39/627767139.db2.gz HCGWHBLEEVZTCN-RTBURBONSA-N 2 2 310.441 3.117 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925689190 627777469 /nfs/dbraw/zinc/77/74/69/627777469.db2.gz BOMUGAPZNQYMAA-HOTGVXAUSA-N 2 2 310.482 3.105 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925689190 627777474 /nfs/dbraw/zinc/77/74/74/627777474.db2.gz BOMUGAPZNQYMAA-HOTGVXAUSA-N 2 2 310.482 3.105 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccccc1 ZINC000925710666 627779554 /nfs/dbraw/zinc/77/95/54/627779554.db2.gz QLVVCYNZEAEIOY-XFWGSAIBSA-N 2 2 310.441 3.237 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925730107 627783944 /nfs/dbraw/zinc/78/39/44/627783944.db2.gz NEGJARIMBAGCML-OWQGQXMQSA-N 2 2 318.848 3.094 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760284 627790352 /nfs/dbraw/zinc/79/03/52/627790352.db2.gz WVOQTJVENBTIDE-OLZOCXBDSA-N 2 2 309.207 3.165 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925760283 627790463 /nfs/dbraw/zinc/79/04/63/627790463.db2.gz WVOQTJVENBTIDE-CHWSQXEVSA-N 2 2 309.207 3.165 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2n1 ZINC000925780350 627794494 /nfs/dbraw/zinc/79/44/94/627794494.db2.gz DXPSCBRMZZMIJA-JSGCOSHPSA-N 2 2 305.372 3.130 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1OCC ZINC000925786018 627795634 /nfs/dbraw/zinc/79/56/34/627795634.db2.gz MZXZLXSKPSBZPO-VNQPRFMTSA-N 2 2 306.450 3.133 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819897 627800227 /nfs/dbraw/zinc/80/02/27/627800227.db2.gz ARPVSBUPZHZHAQ-OXHPOLQJSA-N 3 2 315.505 3.462 20 0 DGADLP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1nc2c(s1)CCCC2 ZINC000925833033 627802383 /nfs/dbraw/zinc/80/23/83/627802383.db2.gz QAXOVBZIZSXYDV-HUUCEWRRSA-N 2 2 319.518 3.280 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)CCC1 ZINC000926244635 627869400 /nfs/dbraw/zinc/86/94/00/627869400.db2.gz QZQCMPFTKFYCBH-FQEVSTJZSA-N 2 2 323.484 3.309 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCc4cccnc4CC3)cc2)c[nH+]1 ZINC000817573883 627922617 /nfs/dbraw/zinc/92/26/17/627922617.db2.gz IGLZJRHJMAOKNZ-GOSISDBHSA-N 2 2 318.424 3.305 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCc4cccnc4CC3)cc2)c[nH+]1 ZINC000817573884 627922847 /nfs/dbraw/zinc/92/28/47/627922847.db2.gz IGLZJRHJMAOKNZ-SFHVURJKSA-N 2 2 318.424 3.305 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1coc2ccccc12 ZINC000926718747 627939629 /nfs/dbraw/zinc/93/96/29/627939629.db2.gz MZXHGZKYXZCBES-GOEBONIOSA-N 2 2 314.429 3.337 20 0 DGADLP CC1(C)CC2(CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)CO1 ZINC000926745116 627946008 /nfs/dbraw/zinc/94/60/08/627946008.db2.gz LMUJBKDHYPZSSL-URSIVYNOSA-N 2 2 306.494 3.331 20 0 DGADLP CC1(C)CC2(CC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)CO1 ZINC000926745116 627946011 /nfs/dbraw/zinc/94/60/11/627946011.db2.gz LMUJBKDHYPZSSL-URSIVYNOSA-N 2 2 306.494 3.331 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817892989 627953481 /nfs/dbraw/zinc/95/34/81/627953481.db2.gz XGFVGSNHTZPOLE-KGLIPLIRSA-N 2 2 315.230 3.338 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000817893280 627954710 /nfs/dbraw/zinc/95/47/10/627954710.db2.gz FUDBSBWLYNDKKK-VCTAVGKDSA-N 2 2 317.260 3.147 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)SC)[C@@H]2CCC[NH2+]2)cc1 ZINC000817898037 627955118 /nfs/dbraw/zinc/95/51/18/627955118.db2.gz BQIBSQXPKCURDR-JKSUJKDBSA-N 2 2 308.491 3.220 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](SC)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000817901193 627956384 /nfs/dbraw/zinc/95/63/84/627956384.db2.gz UUGLRTDHQBXNAU-SPUZQDLCSA-N 2 2 320.502 3.362 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926811823 627959626 /nfs/dbraw/zinc/95/96/26/627959626.db2.gz IDHYTYIVGUSJJA-KBXIAJHMSA-N 2 2 302.384 3.490 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926811823 627959628 /nfs/dbraw/zinc/95/96/28/627959628.db2.gz IDHYTYIVGUSJJA-KBXIAJHMSA-N 2 2 302.384 3.490 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926861819 627965482 /nfs/dbraw/zinc/96/54/82/627965482.db2.gz CBOFTGSFENOGTJ-LPHOPBHVSA-N 2 2 306.413 3.240 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926861821 627965593 /nfs/dbraw/zinc/96/55/93/627965593.db2.gz CBOFTGSFENOGTJ-VQIMIIECSA-N 2 2 306.413 3.240 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817933963 627965869 /nfs/dbraw/zinc/96/58/69/627965869.db2.gz YHCPWRKXHIKODY-SOUVJXGZSA-N 2 2 311.832 3.275 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CC(C)(C)C2)CCOCC1 ZINC000926961871 627990908 /nfs/dbraw/zinc/99/09/08/627990908.db2.gz YYGVSYJBOCQFCD-UHFFFAOYSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CC(C)(C)C2)CCOCC1 ZINC000926961871 627990911 /nfs/dbraw/zinc/99/09/11/627990911.db2.gz YYGVSYJBOCQFCD-UHFFFAOYSA-N 2 2 316.489 3.446 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C3CC(OCc4ccccc4)C3)CC2)[nH]1 ZINC000821387929 628362853 /nfs/dbraw/zinc/36/28/53/628362853.db2.gz ZAFSTEIUSPCKBM-UHFFFAOYSA-N 2 2 311.429 3.337 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000823943898 628612282 /nfs/dbraw/zinc/61/22/82/628612282.db2.gz QGBQMWLFBVFBQO-VNQPRFMTSA-N 2 2 301.459 3.045 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc21 ZINC000824530107 628667546 /nfs/dbraw/zinc/66/75/46/628667546.db2.gz TXUZGHLVQHTAND-OAHLLOKOSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc21 ZINC000824530107 628667549 /nfs/dbraw/zinc/66/75/49/628667549.db2.gz TXUZGHLVQHTAND-OAHLLOKOSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000827706856 628984221 /nfs/dbraw/zinc/98/42/21/628984221.db2.gz MPXKLZWKZSRNDT-NEWSRXKRSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000827706856 628984222 /nfs/dbraw/zinc/98/42/22/628984222.db2.gz MPXKLZWKZSRNDT-NEWSRXKRSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)CC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000828462298 629056884 /nfs/dbraw/zinc/05/68/84/629056884.db2.gz OCOCWQLAUGGMPL-MRXNPFEDSA-N 2 2 317.477 3.404 20 0 DGADLP CC(C)CC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000828462298 629056887 /nfs/dbraw/zinc/05/68/87/629056887.db2.gz OCOCWQLAUGGMPL-MRXNPFEDSA-N 2 2 317.477 3.404 20 0 DGADLP CCc1nc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)co1 ZINC000834899796 629802749 /nfs/dbraw/zinc/80/27/49/629802749.db2.gz KHIMXFMZDBEKBI-CQSZACIVSA-N 2 2 317.433 3.028 20 0 DGADLP Cc1cc(C)c(CNC(=O)NCCCCCCC[NH+](C)C)c[nH+]1 ZINC000837883838 630322209 /nfs/dbraw/zinc/32/22/09/630322209.db2.gz IIHRSTCTABEEEJ-UHFFFAOYSA-N 2 2 320.481 3.010 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1C[C@H]1C ZINC000840727215 630353093 /nfs/dbraw/zinc/35/30/93/630353093.db2.gz KHFMEVVZYOPHHW-SPYBWZPUSA-N 2 2 301.478 3.356 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058565 630402925 /nfs/dbraw/zinc/40/29/25/630402925.db2.gz SRRRXDYUFRUMBA-CQSZACIVSA-N 2 2 318.852 3.066 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843058517 630610182 /nfs/dbraw/zinc/61/01/82/630610182.db2.gz VAWIEMBQDRADEQ-JSGCOSHPSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843058517 630610185 /nfs/dbraw/zinc/61/01/85/630610185.db2.gz VAWIEMBQDRADEQ-JSGCOSHPSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3c2CCC3)cn1 ZINC000845929478 631202515 /nfs/dbraw/zinc/20/25/15/631202515.db2.gz VBUXGIWJTGDBBH-UHFFFAOYSA-N 2 2 318.424 3.354 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c2)[nH+]c1C ZINC000848410601 631656916 /nfs/dbraw/zinc/65/69/16/631656916.db2.gz QZFFLJKAXMTINJ-VQIMIIECSA-N 2 2 324.428 3.022 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccn1 ZINC000848520742 631675530 /nfs/dbraw/zinc/67/55/30/631675530.db2.gz KEXSPYVRZJBIHD-ZFWWWQNUSA-N 2 2 302.422 3.052 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000848526447 631678038 /nfs/dbraw/zinc/67/80/38/631678038.db2.gz XRLGCOGBWFBDPQ-GOSISDBHSA-N 2 2 316.493 3.352 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2CCCn3ccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000848549779 631688130 /nfs/dbraw/zinc/68/81/30/631688130.db2.gz UEQSVXJNSHSDJB-QUCCMNQESA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2CCCn3ccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549779 631688134 /nfs/dbraw/zinc/68/81/34/631688134.db2.gz UEQSVXJNSHSDJB-QUCCMNQESA-N 2 2 324.472 3.220 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575437 631701204 /nfs/dbraw/zinc/70/12/04/631701204.db2.gz QQFSCCWIKYGGIE-ROUUACIJSA-N 2 2 302.462 3.021 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575437 631701208 /nfs/dbraw/zinc/70/12/08/631701208.db2.gz QQFSCCWIKYGGIE-ROUUACIJSA-N 2 2 302.462 3.021 20 0 DGADLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849016888 631807479 /nfs/dbraw/zinc/80/74/79/631807479.db2.gz PHNUPGNBSOBBME-CJNGLKHVSA-N 2 2 322.884 3.389 20 0 DGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])N1CCCCCC1)c1ccco1 ZINC000849027017 631811521 /nfs/dbraw/zinc/81/15/21/631811521.db2.gz VIAALNJKMKNBMM-LSDHHAIUSA-N 2 2 306.454 3.109 20 0 DGADLP CC(C)Cc1ccc([C@@H](CNC(=[NH2+])NC(C)C)[NH+](C)C)cc1 ZINC000849077728 631828956 /nfs/dbraw/zinc/82/89/56/631828956.db2.gz KMIANXVRZNPGJM-QGZVFWFLSA-N 2 2 304.482 3.010 20 0 DGADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccccc1 ZINC000849080361 631829813 /nfs/dbraw/zinc/82/98/13/631829813.db2.gz JYYSZKRFWSDQOF-INIZCTEOSA-N 2 2 318.371 3.204 20 0 DGADLP C[C@H]1CCCN(C(=[NH2+])NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000849091456 631833094 /nfs/dbraw/zinc/83/30/94/631833094.db2.gz GNXYGEXMOVVZTO-XJKSGUPXSA-N 2 2 322.884 3.199 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC[NH+]2CCSCC2)cc1 ZINC000849100021 631834675 /nfs/dbraw/zinc/83/46/75/631834675.db2.gz PNRSJIINRDLTEK-CQSZACIVSA-N 2 2 320.506 3.185 20 0 DGADLP CSc1ccc([C@@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)cc1 ZINC000849113569 631839406 /nfs/dbraw/zinc/83/94/06/631839406.db2.gz UVCMCSOHTAMYJI-MRXNPFEDSA-N 2 2 320.506 3.021 20 0 DGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccnc3F)CC2)C1 ZINC000793286673 661021111 /nfs/dbraw/zinc/02/11/11/661021111.db2.gz ZKSIKMSIYVLBMH-YOEHRIQHSA-N 2 2 305.441 3.353 20 0 DGADLP Fc1ncccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000793290790 661021597 /nfs/dbraw/zinc/02/15/97/661021597.db2.gz ZDLPURGHLVGUEU-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000793585446 661047929 /nfs/dbraw/zinc/04/79/29/661047929.db2.gz YTCWKTBBJUGVNQ-UHFFFAOYSA-N 2 2 321.428 3.250 20 0 DGADLP O[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000052005113 655799401 /nfs/dbraw/zinc/79/94/01/655799401.db2.gz PEIVWQIJAQRPNB-GOSISDBHSA-N 2 2 322.880 3.324 20 0 DGADLP CCc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)[NH+](C)C)cc1 ZINC000066242350 655938982 /nfs/dbraw/zinc/93/89/82/655938982.db2.gz UMIRGKMMZBTQSO-SFHVURJKSA-N 2 2 310.445 3.088 20 0 DGADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)o1 ZINC000163625877 655970367 /nfs/dbraw/zinc/97/03/67/655970367.db2.gz QRASABKWTBPJSW-UHFFFAOYSA-N 2 2 314.429 3.018 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305116390 655990714 /nfs/dbraw/zinc/99/07/14/655990714.db2.gz ICILIISSWSEVGR-GUYCJALGSA-N 2 2 313.426 3.318 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Br)cc1F ZINC000036984883 661212213 /nfs/dbraw/zinc/21/22/13/661212213.db2.gz UWPRRVODKVLJJQ-UHFFFAOYSA-N 2 2 317.246 3.266 20 0 DGADLP Cc1cc(C)c(C(=O)NC2CCC([NH2+]CC(C)C)CC2)c(C)[nH+]1 ZINC001026531717 656166378 /nfs/dbraw/zinc/16/63/78/656166378.db2.gz XZWSJUOOFAIXLV-UHFFFAOYSA-N 2 2 317.477 3.293 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620886 656415679 /nfs/dbraw/zinc/41/56/79/656415679.db2.gz IUHNKWQEIHYIEO-HOTGVXAUSA-N 2 2 322.493 3.057 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620886 656415680 /nfs/dbraw/zinc/41/56/80/656415680.db2.gz IUHNKWQEIHYIEO-HOTGVXAUSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620886 656415681 /nfs/dbraw/zinc/41/56/81/656415681.db2.gz IUHNKWQEIHYIEO-HOTGVXAUSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620886 656415685 /nfs/dbraw/zinc/41/56/85/656415685.db2.gz IUHNKWQEIHYIEO-HOTGVXAUSA-N 2 2 322.493 3.057 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000261561877 656911017 /nfs/dbraw/zinc/91/10/17/656911017.db2.gz GDXYOPUNYBXEFO-CYBMUJFWSA-N 2 2 315.230 3.066 20 0 DGADLP CCCC[N@H+]1CC=C(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001000985738 657172492 /nfs/dbraw/zinc/17/24/92/657172492.db2.gz PJVSXBROHFCWFW-UHFFFAOYSA-N 2 2 315.461 3.169 20 0 DGADLP CCCC[N@@H+]1CC=C(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001000985738 657172495 /nfs/dbraw/zinc/17/24/95/657172495.db2.gz PJVSXBROHFCWFW-UHFFFAOYSA-N 2 2 315.461 3.169 20 0 DGADLP O[C@@H](C[NH+](Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000307529417 657322637 /nfs/dbraw/zinc/32/26/37/657322637.db2.gz LNYIZVIILSGTLP-OAQYLSRUSA-N 2 2 324.468 3.146 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377037 657442979 /nfs/dbraw/zinc/44/29/79/657442979.db2.gz DSHMQOSLRUMIMM-NVXWUHKLSA-N 2 2 318.509 3.326 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000895377037 657442983 /nfs/dbraw/zinc/44/29/83/657442983.db2.gz DSHMQOSLRUMIMM-NVXWUHKLSA-N 2 2 318.509 3.326 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000252566942 657587510 /nfs/dbraw/zinc/58/75/10/657587510.db2.gz ZYLSQLSYHOJIDQ-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000252566942 657587514 /nfs/dbraw/zinc/58/75/14/657587514.db2.gz ZYLSQLSYHOJIDQ-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000305114053 657682662 /nfs/dbraw/zinc/68/26/62/657682662.db2.gz DYEQZRLPOLUOMU-LJQANCHMSA-N 2 2 307.397 3.004 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305116385 657682957 /nfs/dbraw/zinc/68/29/57/657682957.db2.gz ICILIISSWSEVGR-CXAGYDPISA-N 2 2 313.426 3.318 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC([N@@H+](C)CC(C)C)CC2)c(C)[nH+]1 ZINC000985544219 657744060 /nfs/dbraw/zinc/74/40/60/657744060.db2.gz BISIHAHQSUXPDE-UHFFFAOYSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC([N@H+](C)CC(C)C)CC2)c(C)[nH+]1 ZINC000985544219 657744069 /nfs/dbraw/zinc/74/40/69/657744069.db2.gz BISIHAHQSUXPDE-UHFFFAOYSA-N 2 2 317.477 3.199 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000322369754 658509666 /nfs/dbraw/zinc/50/96/66/658509666.db2.gz DMPLMENGOKGSRA-OAHLLOKOSA-N 2 2 310.445 3.150 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000930128096 659911563 /nfs/dbraw/zinc/91/15/63/659911563.db2.gz ZBHTZZJWGMVQCI-UHFFFAOYSA-N 2 2 321.465 3.107 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000930128096 659911564 /nfs/dbraw/zinc/91/15/64/659911564.db2.gz ZBHTZZJWGMVQCI-UHFFFAOYSA-N 2 2 321.465 3.107 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074701 660036589 /nfs/dbraw/zinc/03/65/89/660036589.db2.gz QAOOPCCXGIHUNG-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074701 660036590 /nfs/dbraw/zinc/03/65/90/660036590.db2.gz QAOOPCCXGIHUNG-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP CC1CC(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000929799134 661339888 /nfs/dbraw/zinc/33/98/88/661339888.db2.gz UJKZSAZDTQYBQT-UHFFFAOYSA-N 2 2 301.478 3.066 20 0 DGADLP CC1CC(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000929799134 661339890 /nfs/dbraw/zinc/33/98/90/661339890.db2.gz UJKZSAZDTQYBQT-UHFFFAOYSA-N 2 2 301.478 3.066 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000930268173 661383114 /nfs/dbraw/zinc/38/31/14/661383114.db2.gz ZDMNBVMNZRZJID-QGZVFWFLSA-N 2 2 321.380 3.390 20 0 DGADLP c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000930268173 661383116 /nfs/dbraw/zinc/38/31/16/661383116.db2.gz ZDMNBVMNZRZJID-QGZVFWFLSA-N 2 2 321.380 3.390 20 0 DGADLP CC(C)O[C@H](C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313813 661466311 /nfs/dbraw/zinc/46/63/11/661466311.db2.gz GEQHXWPADLNYEC-AABGKKOBSA-N 2 2 316.489 3.426 20 0 DGADLP CC(C)O[C@@H](C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313815 661466483 /nfs/dbraw/zinc/46/64/83/661466483.db2.gz GEQHXWPADLNYEC-SLFFLAALSA-N 2 2 316.489 3.426 20 0 DGADLP CC(C)O[C@@H](C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313815 661466486 /nfs/dbraw/zinc/46/64/86/661466486.db2.gz GEQHXWPADLNYEC-SLFFLAALSA-N 2 2 316.489 3.426 20 0 DGADLP CC(C)O[C@@H](C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313815 661466488 /nfs/dbraw/zinc/46/64/88/661466488.db2.gz GEQHXWPADLNYEC-SLFFLAALSA-N 2 2 316.489 3.426 20 0 DGADLP CC(C)O[C@@H](C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931313815 661466490 /nfs/dbraw/zinc/46/64/90/661466490.db2.gz GEQHXWPADLNYEC-SLFFLAALSA-N 2 2 316.489 3.426 20 0 DGADLP Cc1ccc2c(C[NH+]3CCC(C)([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000931354467 661469893 /nfs/dbraw/zinc/46/98/93/661469893.db2.gz VTPZPMOEMZEXGV-UHFFFAOYSA-N 2 2 314.429 3.018 20 0 DGADLP CC(=O)CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933550356 661640297 /nfs/dbraw/zinc/64/02/97/661640297.db2.gz OYTTYOBFTAAZRD-UHFFFAOYSA-N 2 2 300.446 3.053 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000077249642 662018421 /nfs/dbraw/zinc/01/84/21/662018421.db2.gz SHYYYYGMAXTNPX-UHFFFAOYSA-N 2 2 302.249 3.305 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000077249642 662018423 /nfs/dbraw/zinc/01/84/23/662018423.db2.gz SHYYYYGMAXTNPX-UHFFFAOYSA-N 2 2 302.249 3.305 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190956619 662050277 /nfs/dbraw/zinc/05/02/77/662050277.db2.gz WTUSQYNBZVSMLQ-LBPRGKRZSA-N 2 2 314.832 3.395 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190956619 662050280 /nfs/dbraw/zinc/05/02/80/662050280.db2.gz WTUSQYNBZVSMLQ-LBPRGKRZSA-N 2 2 314.832 3.395 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190956597 662050585 /nfs/dbraw/zinc/05/05/85/662050585.db2.gz WTUSQYNBZVSMLQ-GFCCVEGCSA-N 2 2 314.832 3.395 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190956597 662050587 /nfs/dbraw/zinc/05/05/87/662050587.db2.gz WTUSQYNBZVSMLQ-GFCCVEGCSA-N 2 2 314.832 3.395 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191188380 662056424 /nfs/dbraw/zinc/05/64/24/662056424.db2.gz IZHANFIEBUIJDC-UHFFFAOYSA-N 2 2 311.788 3.260 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000192664291 662107625 /nfs/dbraw/zinc/10/76/25/662107625.db2.gz QRZYPHSLOKFBTD-DNVCBOLYSA-N 2 2 317.477 3.054 20 0 DGADLP Cc1cc[nH+]c(NNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1 ZINC000088423520 662231157 /nfs/dbraw/zinc/23/11/57/662231157.db2.gz YREXVCCWAJKWOE-UHFFFAOYSA-N 2 2 319.368 3.286 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000090169108 662254783 /nfs/dbraw/zinc/25/47/83/662254783.db2.gz ZSAFLNROVLBJKF-IBGZPJMESA-N 2 2 309.457 3.267 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000090169108 662254785 /nfs/dbraw/zinc/25/47/85/662254785.db2.gz ZSAFLNROVLBJKF-IBGZPJMESA-N 2 2 309.457 3.267 20 0 DGADLP CCC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249085907 662364546 /nfs/dbraw/zinc/36/45/46/662364546.db2.gz SGUZESSWGLWVFD-AZUAARDMSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249085907 662364549 /nfs/dbraw/zinc/36/45/49/662364549.db2.gz SGUZESSWGLWVFD-AZUAARDMSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249085907 662364551 /nfs/dbraw/zinc/36/45/51/662364551.db2.gz SGUZESSWGLWVFD-AZUAARDMSA-N 2 2 314.473 3.342 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249085907 662364554 /nfs/dbraw/zinc/36/45/54/662364554.db2.gz SGUZESSWGLWVFD-AZUAARDMSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138682 685199675 /nfs/dbraw/zinc/19/96/75/685199675.db2.gz FWRAPNVZHPHUPK-RYGJVYDSSA-N 2 2 314.473 3.079 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138682 685199677 /nfs/dbraw/zinc/19/96/77/685199677.db2.gz FWRAPNVZHPHUPK-RYGJVYDSSA-N 2 2 314.473 3.079 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576502382 1191832077 /nfs/dbraw/zinc/83/20/77/1191832077.db2.gz BQECUKMLRWXJEQ-VQIMIIECSA-N 3 2 318.509 3.207 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576502382 1191832087 /nfs/dbraw/zinc/83/20/87/1191832087.db2.gz BQECUKMLRWXJEQ-VQIMIIECSA-N 3 2 318.509 3.207 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)[C@H]1C[NH3+] ZINC001576708257 1191864997 /nfs/dbraw/zinc/86/49/97/1191864997.db2.gz AMBATCANVAISPO-QAPCUYQASA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)[C@H]1C[NH3+] ZINC001576708257 1191865007 /nfs/dbraw/zinc/86/50/07/1191865007.db2.gz AMBATCANVAISPO-QAPCUYQASA-N 2 2 311.429 3.433 20 0 DGADLP CCC(CC)(C[NH3+])C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001577050728 1191881843 /nfs/dbraw/zinc/88/18/43/1191881843.db2.gz ATTNHHBJUXZGLI-ZDUSSCGKSA-N 2 2 310.404 3.183 20 0 DGADLP CCC(CC)(C[NH3+])C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001577050728 1191881846 /nfs/dbraw/zinc/88/18/46/1191881846.db2.gz ATTNHHBJUXZGLI-ZDUSSCGKSA-N 2 2 310.404 3.183 20 0 DGADLP CC[N@H+](Cc1ccccc1Br)CC1(C[NH3+])CCC1 ZINC001577738218 1191914186 /nfs/dbraw/zinc/91/41/86/1191914186.db2.gz OYRVBDAOIASYQO-UHFFFAOYSA-N 2 2 311.267 3.400 20 0 DGADLP CC[N@@H+](Cc1ccccc1Br)CC1(C[NH3+])CCC1 ZINC001577738218 1191914189 /nfs/dbraw/zinc/91/41/89/1191914189.db2.gz OYRVBDAOIASYQO-UHFFFAOYSA-N 2 2 311.267 3.400 20 0 DGADLP CC[N@H+](Cc1cccc(F)c1OC(F)F)C1CC[NH2+]CC1 ZINC001577738422 1191914290 /nfs/dbraw/zinc/91/42/90/1191914290.db2.gz VWJXURVBNPTKPJ-UHFFFAOYSA-N 2 2 302.340 3.001 20 0 DGADLP CC[N@@H+](Cc1cccc(F)c1OC(F)F)C1CC[NH2+]CC1 ZINC001577738422 1191914292 /nfs/dbraw/zinc/91/42/92/1191914292.db2.gz VWJXURVBNPTKPJ-UHFFFAOYSA-N 2 2 302.340 3.001 20 0 DGADLP Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514383 1191978569 /nfs/dbraw/zinc/97/85/69/1191978569.db2.gz OCTLBCDAAPEXGW-DOTOQJQBSA-N 2 2 304.482 3.146 20 0 DGADLP Cc1[nH]nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514383 1191978572 /nfs/dbraw/zinc/97/85/72/1191978572.db2.gz OCTLBCDAAPEXGW-DOTOQJQBSA-N 2 2 304.482 3.146 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3OCCc4ccccc43)cc2)c[nH+]1 ZINC001620789300 1191979763 /nfs/dbraw/zinc/97/97/63/1191979763.db2.gz QPTZKLLYRQLDBD-HXUWFJFHSA-N 2 2 319.408 3.276 20 0 DGADLP Clc1ccc(-c2cccc(C[NH2+]C[C@H]3C[NH2+]CCO3)c2)cc1 ZINC001579938235 1191999951 /nfs/dbraw/zinc/99/99/51/1191999951.db2.gz QIYNZEFRLXZMBC-GOSISDBHSA-N 2 2 316.832 3.085 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)C1CCCCC1 ZINC001580228473 1192014897 /nfs/dbraw/zinc/01/48/97/1192014897.db2.gz BZHCKGGBPLEZSM-CQSZACIVSA-N 2 2 305.447 3.400 20 0 DGADLP [NH3+]Cc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001580343043 1192022868 /nfs/dbraw/zinc/02/28/68/1192022868.db2.gz VFXWTGIUHXYMTE-QGZVFWFLSA-N 2 2 320.396 3.029 20 0 DGADLP c1cn(-c2ccc(CNc3ccc4c(c3)C[NH2+]CC4)cc2)c[nH+]1 ZINC001580896951 1192045304 /nfs/dbraw/zinc/04/53/04/1192045304.db2.gz ZAEYSLFRHUSPMR-UHFFFAOYSA-N 2 2 304.397 3.130 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC2 ZINC000378923557 1176750011 /nfs/dbraw/zinc/75/00/11/1176750011.db2.gz QSIHNZCFVQXXIC-ZWKOTPCHSA-N 2 2 304.478 3.118 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1C ZINC000395130899 1176758367 /nfs/dbraw/zinc/75/83/67/1176758367.db2.gz RLTYBDOORZHICP-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1C ZINC000395130899 1176758374 /nfs/dbraw/zinc/75/83/74/1176758374.db2.gz RLTYBDOORZHICP-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@@H+](Cc1cccc(Br)c1F)C[C@@H]1CCC[NH2+]C1 ZINC000394808689 1176761237 /nfs/dbraw/zinc/76/12/37/1176761237.db2.gz YFNYWZPJPJUPOQ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1cccc(Br)c1F)C[C@@H]1CCC[NH2+]C1 ZINC000394808689 1176761247 /nfs/dbraw/zinc/76/12/47/1176761247.db2.gz YFNYWZPJPJUPOQ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP Cn1c[nH+]cc1CN1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276145018 1177943063 /nfs/dbraw/zinc/94/30/63/1177943063.db2.gz PRFRWFSVQQFABR-LJQANCHMSA-N 2 2 316.493 3.041 20 0 DGADLP Cn1c[nH+]cc1CN1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276145018 1177943074 /nfs/dbraw/zinc/94/30/74/1177943074.db2.gz PRFRWFSVQQFABR-LJQANCHMSA-N 2 2 316.493 3.041 20 0 DGADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001332077087 1178351320 /nfs/dbraw/zinc/35/13/20/1178351320.db2.gz LYHKRYCPPDHUSW-XQJUWPJRSA-N 2 2 324.428 3.044 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)[nH+]c1C ZINC001332336559 1178422632 /nfs/dbraw/zinc/42/26/32/1178422632.db2.gz JFTWYHJZCAKZJJ-UHFFFAOYSA-N 2 2 324.428 3.260 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001332674803 1178470654 /nfs/dbraw/zinc/47/06/54/1178470654.db2.gz QQYBEEIGNUSJOJ-QFBILLFUSA-N 2 2 317.477 3.198 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC001332684186 1178472271 /nfs/dbraw/zinc/47/22/71/1178472271.db2.gz KVBHUDJABTVAGH-MRXNPFEDSA-N 2 2 301.409 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC001332684186 1178472272 /nfs/dbraw/zinc/47/22/72/1178472272.db2.gz KVBHUDJABTVAGH-MRXNPFEDSA-N 2 2 301.409 3.056 20 0 DGADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CCn1cc[nH+]c1 ZINC001333697435 1178656031 /nfs/dbraw/zinc/65/60/31/1178656031.db2.gz OXXHMUQUAKXXTE-UHFFFAOYSA-N 2 2 322.434 3.081 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC001334742873 1178790112 /nfs/dbraw/zinc/79/01/12/1178790112.db2.gz LKRMLYNGJSERAM-XOKHGSTOSA-N 2 2 306.425 3.235 20 0 DGADLP COC[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC001334767338 1178793627 /nfs/dbraw/zinc/79/36/27/1178793627.db2.gz CESHPKSSKUTTHR-SFHVURJKSA-N 2 2 307.482 3.294 20 0 DGADLP CCc1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC001334767248 1178793644 /nfs/dbraw/zinc/79/36/44/1178793644.db2.gz AWIUVTUVJGAMNJ-UHFFFAOYSA-N 2 2 302.422 3.126 20 0 DGADLP COC[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC001334767336 1178794113 /nfs/dbraw/zinc/79/41/13/1178794113.db2.gz CESHPKSSKUTTHR-GOSISDBHSA-N 2 2 307.482 3.294 20 0 DGADLP Cc1[nH+]ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c1Br ZINC001334919280 1178829851 /nfs/dbraw/zinc/82/98/51/1178829851.db2.gz GEFLMNKVYMTVNM-LBPRGKRZSA-N 2 2 321.222 3.191 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnc(C3CC3)o2)[nH+]1 ZINC001335313702 1178892806 /nfs/dbraw/zinc/89/28/06/1178892806.db2.gz HLDIAPJFHKMESG-OAHLLOKOSA-N 2 2 312.417 3.332 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnc(C3CC3)o2)[nH+]1 ZINC001335313702 1178892813 /nfs/dbraw/zinc/89/28/13/1178892813.db2.gz HLDIAPJFHKMESG-OAHLLOKOSA-N 2 2 312.417 3.332 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC001341945931 1179084741 /nfs/dbraw/zinc/08/47/41/1179084741.db2.gz QTTNTDQPDMWTLU-FXAWDEMLSA-N 2 2 309.457 3.493 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC001341945931 1179084745 /nfs/dbraw/zinc/08/47/45/1179084745.db2.gz QTTNTDQPDMWTLU-FXAWDEMLSA-N 2 2 309.457 3.493 20 0 DGADLP C[NH2+]CCCCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001342452946 1179142423 /nfs/dbraw/zinc/14/24/23/1179142423.db2.gz KNESRGKKJOKYEK-UHFFFAOYSA-N 2 2 300.406 3.022 20 0 DGADLP Cc1cc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nc(C2CCC2)[nH+]1 ZINC001343306365 1179254092 /nfs/dbraw/zinc/25/40/92/1179254092.db2.gz PCMGCFLYSTVIHI-ULQDDVLXSA-N 2 2 314.477 3.219 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001344569924 1179452659 /nfs/dbraw/zinc/45/26/59/1179452659.db2.gz YOBKZNOEXXPRIV-UHFFFAOYSA-N 2 2 318.852 3.193 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc2)[nH+]c1C ZINC001353146223 1180474859 /nfs/dbraw/zinc/47/48/59/1180474859.db2.gz LCOTWDFZDGWRTK-ZBEGNZNMSA-N 2 2 314.433 3.251 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001354461337 1180802752 /nfs/dbraw/zinc/80/27/52/1180802752.db2.gz WTPXFHBRTWWCMV-SJORKVTESA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001354461337 1180802764 /nfs/dbraw/zinc/80/27/64/1180802764.db2.gz WTPXFHBRTWWCMV-SJORKVTESA-N 2 2 317.477 3.166 20 0 DGADLP CC[NH+]1CCC(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001200772515 1180895930 /nfs/dbraw/zinc/89/59/30/1180895930.db2.gz BPJQOYQPXZWGSO-UHFFFAOYSA-N 3 2 318.490 3.145 20 0 DGADLP [NH3+]CC1(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CCC1 ZINC001580243273 1182057517 /nfs/dbraw/zinc/05/75/17/1182057517.db2.gz ACIWAXAPRPYIGV-CQSZACIVSA-N 2 2 324.266 3.110 20 0 DGADLP [NH3+]CC1(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CCC1 ZINC001580243273 1182057522 /nfs/dbraw/zinc/05/75/22/1182057522.db2.gz ACIWAXAPRPYIGV-CQSZACIVSA-N 2 2 324.266 3.110 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001460971329 1182748833 /nfs/dbraw/zinc/74/88/33/1182748833.db2.gz IEQBJUQTHRJGPJ-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001460971329 1182748839 /nfs/dbraw/zinc/74/88/39/1182748839.db2.gz IEQBJUQTHRJGPJ-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CCO1 ZINC001460972532 1182749174 /nfs/dbraw/zinc/74/91/74/1182749174.db2.gz KLYYCXFMUKOWEJ-OWCLPIDISA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CCO1 ZINC001460972532 1182749177 /nfs/dbraw/zinc/74/91/77/1182749177.db2.gz KLYYCXFMUKOWEJ-OWCLPIDISA-N 2 2 305.466 3.385 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)cnc12 ZINC001461085510 1182764763 /nfs/dbraw/zinc/76/47/63/1182764763.db2.gz HIYWPKHQZHCIDC-INIZCTEOSA-N 2 2 311.433 3.044 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001461154378 1182775526 /nfs/dbraw/zinc/77/55/26/1182775526.db2.gz BCWHGSWZNHJKRH-ZDUSSCGKSA-N 2 2 307.825 3.361 20 0 DGADLP COc1cccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1OC ZINC001461432651 1182813911 /nfs/dbraw/zinc/81/39/11/1182813911.db2.gz RQMWMCPYVJJXGG-HNNXBMFYSA-N 2 2 306.450 3.058 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657319 1182838850 /nfs/dbraw/zinc/83/88/50/1182838850.db2.gz ZCBLRQUXEDIHDG-IAGOWNOFSA-N 2 2 302.462 3.017 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657319 1182838855 /nfs/dbraw/zinc/83/88/55/1182838855.db2.gz ZCBLRQUXEDIHDG-IAGOWNOFSA-N 2 2 302.462 3.017 20 0 DGADLP Cc1csc2nc(C)c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n12 ZINC001461950381 1182884040 /nfs/dbraw/zinc/88/40/40/1182884040.db2.gz VPDSBJMNTVOKQC-UHFFFAOYSA-N 2 2 315.446 3.115 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462430741 1182951858 /nfs/dbraw/zinc/95/18/58/1182951858.db2.gz RXOYBIUWYDTTJI-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462430741 1182951860 /nfs/dbraw/zinc/95/18/60/1182951860.db2.gz RXOYBIUWYDTTJI-SJLPKXTDSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001472730661 1183673624 /nfs/dbraw/zinc/67/36/24/1183673624.db2.gz RXHRGEBSINFASD-OAHLLOKOSA-N 2 2 323.444 3.272 20 0 DGADLP CC(C)C[N@H+]1CC[C@H](CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001472730661 1183673634 /nfs/dbraw/zinc/67/36/34/1183673634.db2.gz RXHRGEBSINFASD-OAHLLOKOSA-N 2 2 323.444 3.272 20 0 DGADLP C[C@H](c1ncccn1)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897086 1183822440 /nfs/dbraw/zinc/82/24/40/1183822440.db2.gz IFGYHCUDWPMQGU-CABCVRRESA-N 2 2 313.449 3.369 20 0 DGADLP C[C@H](c1ncccn1)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897086 1183822444 /nfs/dbraw/zinc/82/24/44/1183822444.db2.gz IFGYHCUDWPMQGU-CABCVRRESA-N 2 2 313.449 3.369 20 0 DGADLP CC[C@H](C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909295 1183825584 /nfs/dbraw/zinc/82/55/84/1183825584.db2.gz MPEWTEFZSMVVOZ-MJGOQNOKSA-N 2 2 304.478 3.127 20 0 DGADLP CC[C@H](C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909295 1183825585 /nfs/dbraw/zinc/82/55/85/1183825585.db2.gz MPEWTEFZSMVVOZ-MJGOQNOKSA-N 2 2 304.478 3.127 20 0 DGADLP CCCn1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)n1 ZINC001473926702 1183830420 /nfs/dbraw/zinc/83/04/20/1183830420.db2.gz DUSWXUDHZBTDTD-UHFFFAOYSA-N 2 2 323.444 3.136 20 0 DGADLP COc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1F ZINC001473958488 1183839174 /nfs/dbraw/zinc/83/91/74/1183839174.db2.gz CBRRIUDHIAXVIY-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2O1 ZINC001474195358 1183880898 /nfs/dbraw/zinc/88/08/98/1183880898.db2.gz SSORQXFYWQVZSR-KBPBESRZSA-N 2 2 324.371 3.115 20 0 DGADLP FC1(F)Oc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2O1 ZINC001474195358 1183880901 /nfs/dbraw/zinc/88/09/01/1183880901.db2.gz SSORQXFYWQVZSR-KBPBESRZSA-N 2 2 324.371 3.115 20 0 DGADLP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c(Br)cc1F ZINC001474223658 1183885451 /nfs/dbraw/zinc/88/54/51/1183885451.db2.gz QNYOEOMXMHJQPL-NSHDSACASA-N 2 2 317.246 3.326 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316605 1183903464 /nfs/dbraw/zinc/90/34/64/1183903464.db2.gz CKLBOBOAWYJFOK-YOEHRIQHSA-N 2 2 307.457 3.196 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316605 1183903468 /nfs/dbraw/zinc/90/34/68/1183903468.db2.gz CKLBOBOAWYJFOK-YOEHRIQHSA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316605 1183903470 /nfs/dbraw/zinc/90/34/70/1183903470.db2.gz CKLBOBOAWYJFOK-YOEHRIQHSA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)C[C@@H]1C ZINC001474316605 1183903474 /nfs/dbraw/zinc/90/34/74/1183903474.db2.gz CKLBOBOAWYJFOK-YOEHRIQHSA-N 2 2 307.457 3.196 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321107 1183904012 /nfs/dbraw/zinc/90/40/12/1183904012.db2.gz YFHOWBZYCBZONL-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321107 1183904014 /nfs/dbraw/zinc/90/40/14/1183904014.db2.gz YFHOWBZYCBZONL-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321107 1183904015 /nfs/dbraw/zinc/90/40/15/1183904015.db2.gz YFHOWBZYCBZONL-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321107 1183904017 /nfs/dbraw/zinc/90/40/17/1183904017.db2.gz YFHOWBZYCBZONL-RISCZKNCSA-N 2 2 314.260 3.305 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC001474386475 1183913127 /nfs/dbraw/zinc/91/31/27/1183913127.db2.gz PHZXTMFFCIOCNQ-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccnc2N)CC[N@H+]1Cc1ccccc1 ZINC001474386475 1183913128 /nfs/dbraw/zinc/91/31/28/1183913128.db2.gz PHZXTMFFCIOCNQ-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386475 1183913130 /nfs/dbraw/zinc/91/31/30/1183913130.db2.gz PHZXTMFFCIOCNQ-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386475 1183913131 /nfs/dbraw/zinc/91/31/31/1183913131.db2.gz PHZXTMFFCIOCNQ-LPHOPBHVSA-N 2 2 324.472 3.149 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480653367 1184567586 /nfs/dbraw/zinc/56/75/86/1184567586.db2.gz BAIMDQCMAFIOGK-SUMWQHHRSA-N 2 2 317.477 3.105 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991071 1193531819 /nfs/dbraw/zinc/53/18/19/1193531819.db2.gz NBDIORCLDRRYMM-HOTGVXAUSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991071 1193531822 /nfs/dbraw/zinc/53/18/22/1193531822.db2.gz NBDIORCLDRRYMM-HOTGVXAUSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991070 1193532022 /nfs/dbraw/zinc/53/20/22/1193532022.db2.gz NBDIORCLDRRYMM-CVEARBPZSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CCCCC4)C2)[nH]1 ZINC001615991070 1193532024 /nfs/dbraw/zinc/53/20/24/1193532024.db2.gz NBDIORCLDRRYMM-CVEARBPZSA-N 2 2 303.450 3.329 20 0 DGADLP CCNc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC001617103057 1193557826 /nfs/dbraw/zinc/55/78/26/1193557826.db2.gz JBCYSKRLCMDAAI-KGLIPLIRSA-N 2 2 322.522 3.318 20 0 DGADLP CCNc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC001617103057 1193557829 /nfs/dbraw/zinc/55/78/29/1193557829.db2.gz JBCYSKRLCMDAAI-KGLIPLIRSA-N 2 2 322.522 3.318 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549117678 1188497034 /nfs/dbraw/zinc/49/70/34/1188497034.db2.gz UBZLWZQAQOPSOV-WMLDXEAASA-N 2 2 307.507 3.293 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549117678 1188497036 /nfs/dbraw/zinc/49/70/36/1188497036.db2.gz UBZLWZQAQOPSOV-WMLDXEAASA-N 2 2 307.507 3.293 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1Cl ZINC001549223312 1188507198 /nfs/dbraw/zinc/50/71/98/1188507198.db2.gz SGHOMOSVDZQJHJ-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1Cl ZINC001549223312 1188507200 /nfs/dbraw/zinc/50/72/00/1188507200.db2.gz SGHOMOSVDZQJHJ-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001550219610 1188594964 /nfs/dbraw/zinc/59/49/64/1188594964.db2.gz YGAFAEGKIGAGCG-CQSZACIVSA-N 2 2 312.417 3.022 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCc2cc(Cl)ncc21 ZINC001551377411 1188732169 /nfs/dbraw/zinc/73/21/69/1188732169.db2.gz HUVOBDIWEPXFRF-LZLYRXPVSA-N 2 2 313.832 3.327 20 0 DGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)OCCCO2 ZINC001551376556 1188732243 /nfs/dbraw/zinc/73/22/43/1188732243.db2.gz ACZJJMBLMDPSLD-QKMWGZLOSA-N 2 2 324.424 3.123 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@H]1[NH3+])CCC2 ZINC001551379209 1188732396 /nfs/dbraw/zinc/73/23/96/1188732396.db2.gz VYYFDAIWDWGVNO-UKPHBRMFSA-N 2 2 313.470 3.297 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC001551379370 1188732773 /nfs/dbraw/zinc/73/27/73/1188732773.db2.gz XKKQDSRMBRWUEJ-LDRHYZDKSA-N 2 2 307.441 3.322 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC001553023475 1188890029 /nfs/dbraw/zinc/89/00/29/1188890029.db2.gz ODOIQLLPQGQLJM-JFOHDYCDSA-N 2 2 304.409 3.016 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC001553291648 1188914110 /nfs/dbraw/zinc/91/41/10/1188914110.db2.gz QOURMZZMLVJJNQ-SQNIBIBYSA-N 2 2 300.446 3.089 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001553864730 1188952680 /nfs/dbraw/zinc/95/26/80/1188952680.db2.gz WPPLGGGSLBWFHA-MRXNPFEDSA-N 2 2 324.403 3.487 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001553864730 1188952683 /nfs/dbraw/zinc/95/26/83/1188952683.db2.gz WPPLGGGSLBWFHA-MRXNPFEDSA-N 2 2 324.403 3.487 20 0 DGADLP Cc1[nH+]c2cc(Nc3cc[nH+]cc3C(F)(F)F)ccc2n1C ZINC001559117719 1189172398 /nfs/dbraw/zinc/17/23/98/1189172398.db2.gz PUOZBWIJTHJXCM-UHFFFAOYSA-N 2 2 306.291 3.461 20 0 DGADLP CC(C)[C@@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001559580953 1189220176 /nfs/dbraw/zinc/22/01/76/1189220176.db2.gz UYLQWRHQIAVKKN-IBGZPJMESA-N 2 2 313.445 3.133 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001559777638 1189241687 /nfs/dbraw/zinc/24/16/87/1189241687.db2.gz SRFHPMJMSIHEBQ-WMZOPIPTSA-N 2 2 312.498 3.207 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001559777638 1189241696 /nfs/dbraw/zinc/24/16/96/1189241696.db2.gz SRFHPMJMSIHEBQ-WMZOPIPTSA-N 2 2 312.498 3.207 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929799 1189258243 /nfs/dbraw/zinc/25/82/43/1189258243.db2.gz SXRLYYPYBKLWIM-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929799 1189258247 /nfs/dbraw/zinc/25/82/47/1189258247.db2.gz SXRLYYPYBKLWIM-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929799 1189258249 /nfs/dbraw/zinc/25/82/49/1189258249.db2.gz SXRLYYPYBKLWIM-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929799 1189258253 /nfs/dbraw/zinc/25/82/53/1189258253.db2.gz SXRLYYPYBKLWIM-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069642 1189274868 /nfs/dbraw/zinc/27/48/68/1189274868.db2.gz XOZYRVOQGNBEDV-LJQANCHMSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001560069642 1189274872 /nfs/dbraw/zinc/27/48/72/1189274872.db2.gz XOZYRVOQGNBEDV-LJQANCHMSA-N 3 2 318.509 3.168 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC001560232734 1189295807 /nfs/dbraw/zinc/29/58/07/1189295807.db2.gz GJPBYNVIYMTYLV-UHFFFAOYSA-N 2 2 324.403 3.487 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC001560233091 1189295939 /nfs/dbraw/zinc/29/59/39/1189295939.db2.gz RBHLUSUPJCISHI-UHFFFAOYSA-N 2 2 305.372 3.120 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3cccnc3o2)cn1 ZINC001560277187 1189304519 /nfs/dbraw/zinc/30/45/19/1189304519.db2.gz KXQKISFCTVALIC-UHFFFAOYSA-N 2 2 319.368 3.007 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001560329251 1189312623 /nfs/dbraw/zinc/31/26/23/1189312623.db2.gz ABQYPJQCOQMSDM-MSOLQXFVSA-N 2 2 316.489 3.407 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001560329251 1189312628 /nfs/dbraw/zinc/31/26/28/1189312628.db2.gz ABQYPJQCOQMSDM-MSOLQXFVSA-N 2 2 316.489 3.407 20 0 DGADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)c(F)c1 ZINC001560717094 1189366323 /nfs/dbraw/zinc/36/63/23/1189366323.db2.gz AONAYMCUCPGLHU-UHFFFAOYSA-N 2 2 314.339 3.178 20 0 DGADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)c(F)c1 ZINC001560717094 1189366331 /nfs/dbraw/zinc/36/63/31/1189366331.db2.gz AONAYMCUCPGLHU-UHFFFAOYSA-N 2 2 314.339 3.178 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)[NH+](CC)CC)cc1 ZINC001560859395 1189394119 /nfs/dbraw/zinc/39/41/19/1189394119.db2.gz JZXGIBIRGQAYDW-FYQPLNBISA-N 2 2 316.489 3.256 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)[NH+](CC)CC)cc1 ZINC001560859396 1189394377 /nfs/dbraw/zinc/39/43/77/1189394377.db2.gz JZXGIBIRGQAYDW-IYWMVGAKSA-N 2 2 316.489 3.256 20 0 DGADLP C[C@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001561016273 1189421282 /nfs/dbraw/zinc/42/12/82/1189421282.db2.gz SHHHSSIZYZFRSY-HKUYNNGSSA-N 2 2 321.553 3.351 20 0 DGADLP C[C@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001561016273 1189421285 /nfs/dbraw/zinc/42/12/85/1189421285.db2.gz SHHHSSIZYZFRSY-HKUYNNGSSA-N 2 2 321.553 3.351 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001561016312 1189421692 /nfs/dbraw/zinc/42/16/92/1189421692.db2.gz TWYWZCQTAXZPAF-UZLBHIALSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001561016312 1189421694 /nfs/dbraw/zinc/42/16/94/1189421694.db2.gz TWYWZCQTAXZPAF-UZLBHIALSA-N 2 2 315.505 3.068 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001567039667 1190004186 /nfs/dbraw/zinc/00/41/86/1190004186.db2.gz IWHMVPAPDADIMT-HNNXBMFYSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCC(C)(C)C)CC2)c(C)[nH+]1 ZINC001569410259 1190692804 /nfs/dbraw/zinc/69/28/04/1190692804.db2.gz XRIUETBPFCNYRR-UHFFFAOYSA-N 2 2 317.477 3.295 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001570620686 1190903165 /nfs/dbraw/zinc/90/31/65/1190903165.db2.gz GHHMAHAIWWIDSK-NKIGNDQYSA-N 2 2 317.477 3.460 20 0 DGADLP Fc1cccc(Cl)c1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001620754186 1191433873 /nfs/dbraw/zinc/43/38/73/1191433873.db2.gz ZFMTVPGQTDFFMI-UHFFFAOYSA-N 2 2 316.767 3.350 20 0 DGADLP CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001575631383 1191497721 /nfs/dbraw/zinc/49/77/21/1191497721.db2.gz LEZVBQYDNMNDED-GFCCVEGCSA-N 2 2 320.824 3.228 20 0 DGADLP CC1(C)CC2(CO1)CCC([NH2+]C[C@@H]([NH3+])c1ccccc1)CC2 ZINC001576404510 1191591097 /nfs/dbraw/zinc/59/10/97/1191591097.db2.gz BAURJURIOCCHCI-TVRKMHQQSA-N 2 2 302.462 3.404 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001619411194 1193757974 /nfs/dbraw/zinc/75/79/74/1193757974.db2.gz VXRBNPUKOIVBDE-GUDVDZBRSA-N 2 2 311.429 3.186 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001619411194 1193757976 /nfs/dbraw/zinc/75/79/76/1193757976.db2.gz VXRBNPUKOIVBDE-GUDVDZBRSA-N 2 2 311.429 3.186 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2ccnc(F)c2)CC1 ZINC001620498909 1193772718 /nfs/dbraw/zinc/77/27/18/1193772718.db2.gz YDWGCMOUTJDDFA-QGZVFWFLSA-N 2 2 305.441 3.307 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccnc(F)c2)CC1 ZINC001620498909 1193772721 /nfs/dbraw/zinc/77/27/21/1193772721.db2.gz YDWGCMOUTJDDFA-QGZVFWFLSA-N 2 2 305.441 3.307 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)C[C@]2(C)C1 ZINC001620627591 1193784856 /nfs/dbraw/zinc/78/48/56/1193784856.db2.gz FIUYGVQKRDSWEY-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(Cl)ccc4cccnc43)C[C@]2(C)C1 ZINC001620627591 1193784858 /nfs/dbraw/zinc/78/48/58/1193784858.db2.gz FIUYGVQKRDSWEY-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)C[C@]2(C)C1 ZINC001620627591 1193784861 /nfs/dbraw/zinc/78/48/61/1193784861.db2.gz FIUYGVQKRDSWEY-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)C[C@]2(C)C1 ZINC001620627591 1193784863 /nfs/dbraw/zinc/78/48/63/1193784863.db2.gz FIUYGVQKRDSWEY-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+]CC3CCCCC3)CC2)cc1 ZINC001620717544 1193794165 /nfs/dbraw/zinc/79/41/65/1193794165.db2.gz KIUOHEZLQIHMNQ-UHFFFAOYSA-N 2 2 315.505 3.369 20 0 DGADLP Cn1cnc2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)ccc21 ZINC001620747528 1193797947 /nfs/dbraw/zinc/79/79/47/1193797947.db2.gz KRTQSVWJASKMMV-UHFFFAOYSA-N 2 2 317.396 3.049 20 0 DGADLP CCCn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125858 1193805651 /nfs/dbraw/zinc/80/56/51/1193805651.db2.gz GOPOMUNEUMCCTA-APWZRJJASA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125858 1193805654 /nfs/dbraw/zinc/80/56/54/1193805654.db2.gz GOPOMUNEUMCCTA-APWZRJJASA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC001621125858 1193805657 /nfs/dbraw/zinc/80/56/57/1193805657.db2.gz GOPOMUNEUMCCTA-APWZRJJASA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC001621125858 1193805658 /nfs/dbraw/zinc/80/56/58/1193805658.db2.gz GOPOMUNEUMCCTA-APWZRJJASA-N 2 2 316.493 3.050 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C12CCC2 ZINC001621484702 1193848948 /nfs/dbraw/zinc/84/89/48/1193848948.db2.gz QUTSGTBFKHFZIV-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C12CCC2 ZINC001621484702 1193848951 /nfs/dbraw/zinc/84/89/51/1193848951.db2.gz QUTSGTBFKHFZIV-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1O ZINC001621560309 1193858555 /nfs/dbraw/zinc/85/85/55/1193858555.db2.gz JZWKMKQFNKPECN-OAHLLOKOSA-N 2 2 320.477 3.043 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1O ZINC001621560309 1193858557 /nfs/dbraw/zinc/85/85/57/1193858557.db2.gz JZWKMKQFNKPECN-OAHLLOKOSA-N 2 2 320.477 3.043 20 0 DGADLP Fc1cccc2c1CC[C@@H]2[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001644489961 1195113170 /nfs/dbraw/zinc/11/31/70/1195113170.db2.gz YQOWEDJAJWJCBU-IBGZPJMESA-N 2 2 318.436 3.046 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608807 1195194236 /nfs/dbraw/zinc/19/42/36/1195194236.db2.gz HJXJAMSYHLYUKX-CEXWTWQISA-N 2 2 308.510 3.390 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608807 1195194238 /nfs/dbraw/zinc/19/42/38/1195194238.db2.gz HJXJAMSYHLYUKX-CEXWTWQISA-N 2 2 308.510 3.390 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC001648026535 1195271745 /nfs/dbraw/zinc/27/17/45/1195271745.db2.gz DRFNFOKTRXSLKM-MOPGFXCFSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC001648026535 1195271750 /nfs/dbraw/zinc/27/17/50/1195271750.db2.gz DRFNFOKTRXSLKM-MOPGFXCFSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001648026535 1195271756 /nfs/dbraw/zinc/27/17/56/1195271756.db2.gz DRFNFOKTRXSLKM-MOPGFXCFSA-N 3 2 307.526 3.057 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)CC1 ZINC001648026535 1195271758 /nfs/dbraw/zinc/27/17/58/1195271758.db2.gz DRFNFOKTRXSLKM-MOPGFXCFSA-N 3 2 307.526 3.057 20 0 DGADLP COc1ccc([C@H](C)C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001648646027 1195318374 /nfs/dbraw/zinc/31/83/74/1195318374.db2.gz XGJKVUWPYOLGMA-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCCCC1 ZINC001648701409 1195323298 /nfs/dbraw/zinc/32/32/98/1195323298.db2.gz YPZYJAMDCDMYCG-UHFFFAOYSA-N 2 2 318.490 3.288 20 0 DGADLP C[C@@H](CCc1ccccc1)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648742404 1195327320 /nfs/dbraw/zinc/32/73/20/1195327320.db2.gz YBOUGHSCGMSNHB-GBESFXJTSA-N 2 2 318.505 3.344 20 0 DGADLP C[C@@H](CCc1ccccc1)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001648742404 1195327323 /nfs/dbraw/zinc/32/73/23/1195327323.db2.gz YBOUGHSCGMSNHB-GBESFXJTSA-N 2 2 318.505 3.344 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC001651288947 1195438591 /nfs/dbraw/zinc/43/85/91/1195438591.db2.gz BIEKBYRPTVMVEC-UHFFFAOYSA-N 2 2 308.441 3.434 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC001651288947 1195438595 /nfs/dbraw/zinc/43/85/95/1195438595.db2.gz BIEKBYRPTVMVEC-UHFFFAOYSA-N 2 2 308.441 3.434 20 0 DGADLP CCc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)nc(CC)[nH+]1 ZINC001651826942 1195514331 /nfs/dbraw/zinc/51/43/31/1195514331.db2.gz ISNCVASOONLOEG-UHFFFAOYSA-N 2 2 316.449 3.153 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2c2noc(C(C)C)n2)CC1 ZINC001651967444 1195529730 /nfs/dbraw/zinc/52/97/30/1195529730.db2.gz DNGHKBYNXATMOP-INIZCTEOSA-N 2 2 320.481 3.452 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2noc(C(C)C)n2)CC1 ZINC001651967444 1195529733 /nfs/dbraw/zinc/52/97/33/1195529733.db2.gz DNGHKBYNXATMOP-INIZCTEOSA-N 2 2 320.481 3.452 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC001652318474 1195582288 /nfs/dbraw/zinc/58/22/88/1195582288.db2.gz VMTPEOYDTWYCDT-CEXWTWQISA-N 2 2 322.456 3.498 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC001652318474 1195582291 /nfs/dbraw/zinc/58/22/91/1195582291.db2.gz VMTPEOYDTWYCDT-CEXWTWQISA-N 2 2 322.456 3.498 20 0 DGADLP CC(C)CC1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001652676676 1195634821 /nfs/dbraw/zinc/63/48/21/1195634821.db2.gz LEVBNJSFOZTCMB-FQEVSTJZSA-N 2 2 318.505 3.237 20 0 DGADLP CC(C)CC1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001652676676 1195634824 /nfs/dbraw/zinc/63/48/24/1195634824.db2.gz LEVBNJSFOZTCMB-FQEVSTJZSA-N 2 2 318.505 3.237 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)ccc1N(C)C ZINC001653280840 1195707123 /nfs/dbraw/zinc/70/71/23/1195707123.db2.gz OADSNYRCBOAMLK-CYBMUJFWSA-N 2 2 305.441 3.169 20 0 DGADLP Fc1ccc(F)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000069678454 1195811186 /nfs/dbraw/zinc/81/11/86/1195811186.db2.gz SZNNPMHTVZQOAF-UHFFFAOYSA-N 2 2 313.351 3.499 20 0 DGADLP OCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCCCC1 ZINC001654560099 1195817564 /nfs/dbraw/zinc/81/75/64/1195817564.db2.gz QMCVQRFTQDUQEU-UHFFFAOYSA-N 2 2 313.445 3.437 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179134 1195851151 /nfs/dbraw/zinc/85/11/51/1195851151.db2.gz SCDUVFKPPPGCOT-NEPJUHHUSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)(F)F ZINC000070179134 1195851155 /nfs/dbraw/zinc/85/11/55/1195851155.db2.gz SCDUVFKPPPGCOT-NEPJUHHUSA-N 2 2 302.340 3.144 20 0 DGADLP Clc1ccc(-c2nc(C[NH2+]CCn3cc[nH+]c3)cs2)cc1 ZINC001655182793 1195888458 /nfs/dbraw/zinc/88/84/58/1195888458.db2.gz ZNBOPFINXHNBDZ-UHFFFAOYSA-N 2 2 318.833 3.450 20 0 DGADLP CN(c1ccc([NH2+]C[C@H]2CCCOC2)cc1)C1CC[NH+](C)CC1 ZINC001655343248 1195905731 /nfs/dbraw/zinc/90/57/31/1195905731.db2.gz ROXSYYPTBXNMEN-MRXNPFEDSA-N 2 2 317.477 3.056 20 0 DGADLP Cc1cccn2c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cnc12 ZINC001655465706 1195921318 /nfs/dbraw/zinc/92/13/18/1195921318.db2.gz KEYJMVUWQHOJLE-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001655905138 1195975680 /nfs/dbraw/zinc/97/56/80/1195975680.db2.gz JIHMDEUSTPXADT-UHFFFAOYSA-N 2 2 305.466 3.339 20 0 DGADLP Cc1nccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001655910623 1195976495 /nfs/dbraw/zinc/97/64/95/1195976495.db2.gz PPTWDBVABVXHBA-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1nccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)n1 ZINC001655910623 1195976497 /nfs/dbraw/zinc/97/64/97/1195976497.db2.gz PPTWDBVABVXHBA-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1ccc(F)c(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1F ZINC001656552797 1196049476 /nfs/dbraw/zinc/04/94/76/1196049476.db2.gz BUOPJUFSHRIYRB-UHFFFAOYSA-N 2 2 305.372 3.386 20 0 DGADLP CCCn1cncc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001656693841 1196063105 /nfs/dbraw/zinc/06/31/05/1196063105.db2.gz KVDXVCLIBOOUSR-GOSISDBHSA-N 2 2 323.444 3.100 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CCCOC2)c(C)c1 ZINC001656983120 1196089308 /nfs/dbraw/zinc/08/93/08/1196089308.db2.gz XAQJOLISHRVDRI-PKOBYXMFSA-N 2 2 313.445 3.257 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001657000390 1196091571 /nfs/dbraw/zinc/09/15/71/1196091571.db2.gz QUGIEZBCNAYRMA-KBPBESRZSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001657000390 1196091572 /nfs/dbraw/zinc/09/15/72/1196091572.db2.gz QUGIEZBCNAYRMA-KBPBESRZSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001657000391 1196091825 /nfs/dbraw/zinc/09/18/25/1196091825.db2.gz QUGIEZBCNAYRMA-KGLIPLIRSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001657000391 1196091828 /nfs/dbraw/zinc/09/18/28/1196091828.db2.gz QUGIEZBCNAYRMA-KGLIPLIRSA-N 2 2 307.507 3.089 20 0 DGADLP Fc1cccc2c1OCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001657190941 1196116906 /nfs/dbraw/zinc/11/69/06/1196116906.db2.gz XBUZCOUYBGCQCE-QGZVFWFLSA-N 2 2 324.359 3.020 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001657610704 1196159625 /nfs/dbraw/zinc/15/96/25/1196159625.db2.gz MKAKOWAAUFIULG-CQSZACIVSA-N 2 2 312.889 3.014 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001657610704 1196159627 /nfs/dbraw/zinc/15/96/27/1196159627.db2.gz MKAKOWAAUFIULG-CQSZACIVSA-N 2 2 312.889 3.014 20 0 DGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1O ZINC001657876677 1196189723 /nfs/dbraw/zinc/18/97/23/1196189723.db2.gz JDFCXXNVMOIJMC-QGZVFWFLSA-N 2 2 323.396 3.128 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001658904240 1196316540 /nfs/dbraw/zinc/31/65/40/1196316540.db2.gz HXJKRXJPLFYDHV-QXAKKESOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001658904240 1196316545 /nfs/dbraw/zinc/31/65/45/1196316545.db2.gz HXJKRXJPLFYDHV-QXAKKESOSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001659091550 1196342912 /nfs/dbraw/zinc/34/29/12/1196342912.db2.gz IIIVIXGUSFYFQM-MJGOQNOKSA-N 2 2 315.505 3.223 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001659091550 1196342916 /nfs/dbraw/zinc/34/29/16/1196342916.db2.gz IIIVIXGUSFYFQM-MJGOQNOKSA-N 2 2 315.505 3.223 20 0 DGADLP COC1(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCC1 ZINC001659135710 1196349004 /nfs/dbraw/zinc/34/90/04/1196349004.db2.gz YFVLPSFGZUDXSI-ZWKOTPCHSA-N 2 2 311.429 3.270 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001659414874 1196381611 /nfs/dbraw/zinc/38/16/11/1196381611.db2.gz QCLBEUQSKSPKOL-HNNXBMFYSA-N 2 2 311.267 3.066 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001659414874 1196381614 /nfs/dbraw/zinc/38/16/14/1196381614.db2.gz QCLBEUQSKSPKOL-HNNXBMFYSA-N 2 2 311.267 3.066 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)c1 ZINC001660193566 1196455784 /nfs/dbraw/zinc/45/57/84/1196455784.db2.gz ICSUYUJHGYZBPA-INIZCTEOSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)c1 ZINC001660193566 1196455786 /nfs/dbraw/zinc/45/57/86/1196455786.db2.gz ICSUYUJHGYZBPA-INIZCTEOSA-N 2 2 317.477 3.034 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC001660272752 1196464163 /nfs/dbraw/zinc/46/41/63/1196464163.db2.gz UFRIMJGBVIYJBE-FGTMMUONSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000076396460 1196478304 /nfs/dbraw/zinc/47/83/04/1196478304.db2.gz LLSWADCJSYGTFS-UHFFFAOYSA-N 2 2 300.368 3.314 20 0 DGADLP CCCc1cccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001660747436 1196518707 /nfs/dbraw/zinc/51/87/07/1196518707.db2.gz BXESKROOBUHFRC-LJQANCHMSA-N 2 2 304.478 3.086 20 0 DGADLP CCCc1cccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001660747436 1196518709 /nfs/dbraw/zinc/51/87/09/1196518709.db2.gz BXESKROOBUHFRC-LJQANCHMSA-N 2 2 304.478 3.086 20 0 DGADLP Cc1nc(C)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000076866106 1196526000 /nfs/dbraw/zinc/52/60/00/1196526000.db2.gz HYLUKPLFPPSADK-UHFFFAOYSA-N 2 2 312.442 3.295 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001661599560 1196623084 /nfs/dbraw/zinc/62/30/84/1196623084.db2.gz AQPICVDNSCACPB-CHWSQXEVSA-N 2 2 312.889 3.159 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000079000545 1196845909 /nfs/dbraw/zinc/84/59/09/1196845909.db2.gz MGILBJHXJDIAHC-SFHVURJKSA-N 2 2 323.444 3.273 20 0 DGADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1OC ZINC000079000571 1196846790 /nfs/dbraw/zinc/84/67/90/1196846790.db2.gz NTCXBBLZCRLWHS-MRXNPFEDSA-N 2 2 317.433 3.105 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001663567884 1196906796 /nfs/dbraw/zinc/90/67/96/1196906796.db2.gz HQTKEBSLLGCPQW-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001663567884 1196906799 /nfs/dbraw/zinc/90/67/99/1196906799.db2.gz HQTKEBSLLGCPQW-MRXNPFEDSA-N 2 2 319.468 3.200 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001665712180 1197179638 /nfs/dbraw/zinc/17/96/38/1197179638.db2.gz KMWQOXOKZGPDLG-YRXWBPOGSA-N 2 2 309.542 3.349 20 0 DGADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001665712180 1197179640 /nfs/dbraw/zinc/17/96/40/1197179640.db2.gz KMWQOXOKZGPDLG-YRXWBPOGSA-N 2 2 309.542 3.349 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)c(C)c1OC ZINC001665832657 1197204117 /nfs/dbraw/zinc/20/41/17/1197204117.db2.gz YRBLZEMSGOEJBO-PBHICJAKSA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)c(C)c1OC ZINC001665832657 1197204120 /nfs/dbraw/zinc/20/41/20/1197204120.db2.gz YRBLZEMSGOEJBO-PBHICJAKSA-N 2 2 320.477 3.017 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C(=O)OC)c(F)c1 ZINC000322928938 1197689100 /nfs/dbraw/zinc/68/91/00/1197689100.db2.gz MSYCTFDAMWXIIG-UHFFFAOYSA-N 2 2 324.440 3.166 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C(=O)OC)c(F)c1 ZINC000322928938 1197689101 /nfs/dbraw/zinc/68/91/01/1197689101.db2.gz MSYCTFDAMWXIIG-UHFFFAOYSA-N 2 2 324.440 3.166 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817132 1197715344 /nfs/dbraw/zinc/71/53/44/1197715344.db2.gz FQEZNDNZYULYMK-KBXCAEBGSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000391817132 1197715348 /nfs/dbraw/zinc/71/53/48/1197715348.db2.gz FQEZNDNZYULYMK-KBXCAEBGSA-N 2 2 315.392 3.042 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC001691898098 1197902031 /nfs/dbraw/zinc/90/20/31/1197902031.db2.gz IYMBRCLLBNJJTQ-QGZVFWFLSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2CC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC001691898098 1197902041 /nfs/dbraw/zinc/90/20/41/1197902041.db2.gz IYMBRCLLBNJJTQ-QGZVFWFLSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CCCCCF)c(C)[nH+]1 ZINC001676391631 1198308627 /nfs/dbraw/zinc/30/86/27/1198308627.db2.gz MSSIACRWWUISJU-OAHLLOKOSA-N 2 2 323.456 3.197 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1 ZINC000113956168 1199689137 /nfs/dbraw/zinc/68/91/37/1199689137.db2.gz MNYTUGWBDDGDAU-INIZCTEOSA-N 2 2 307.397 3.429 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000305777115 1199689242 /nfs/dbraw/zinc/68/92/42/1199689242.db2.gz PEFFYNLIUXWZAR-KRWDZBQOSA-N 2 2 310.869 3.083 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000314315547 1199784862 /nfs/dbraw/zinc/78/48/62/1199784862.db2.gz BMCSZXVCPGYRJB-CZUORRHYSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000314315547 1199784865 /nfs/dbraw/zinc/78/48/65/1199784865.db2.gz BMCSZXVCPGYRJB-CZUORRHYSA-N 2 2 323.278 3.331 20 0 DGADLP Brc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000120969868 1200187346 /nfs/dbraw/zinc/18/73/46/1200187346.db2.gz JWAOXKHGTMYJSJ-UHFFFAOYSA-N 2 2 323.278 3.413 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121841957 1200241909 /nfs/dbraw/zinc/24/19/09/1200241909.db2.gz HLONEGDWSMHXIH-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000121841957 1200241911 /nfs/dbraw/zinc/24/19/11/1200241911.db2.gz HLONEGDWSMHXIH-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP CC(C)CC[NH2+]CCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755505541 1200924566 /nfs/dbraw/zinc/92/45/66/1200924566.db2.gz AHPDROPOZSXFMK-AWEZNQCLSA-N 2 2 316.449 3.097 20 0 DGADLP Cc1noc(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000131124059 1201120885 /nfs/dbraw/zinc/12/08/85/1201120885.db2.gz AYBZIUYJUHSNKA-CQSZACIVSA-N 2 2 314.433 3.002 20 0 DGADLP Cc1ccc(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131292291 1201146685 /nfs/dbraw/zinc/14/66/85/1201146685.db2.gz RCLOEGUELMJIJQ-QGZVFWFLSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1ccc(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000131292291 1201146690 /nfs/dbraw/zinc/14/66/90/1201146690.db2.gz RCLOEGUELMJIJQ-QGZVFWFLSA-N 2 2 313.445 3.062 20 0 DGADLP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704170 1202316949 /nfs/dbraw/zinc/31/69/49/1202316949.db2.gz WLNIAAONLVYVFA-HLRDLLSLSA-N 2 2 317.477 3.413 20 0 DGADLP Cc1cccnc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000154646010 1202597709 /nfs/dbraw/zinc/59/77/09/1202597709.db2.gz RVVVKOUFKHDLOZ-UHFFFAOYSA-N 2 2 324.472 3.215 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000236796160 1202625499 /nfs/dbraw/zinc/62/54/99/1202625499.db2.gz BYDLCJATQIDESA-INIZCTEOSA-N 2 2 318.486 3.348 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000236796160 1202625500 /nfs/dbraw/zinc/62/55/00/1202625500.db2.gz BYDLCJATQIDESA-INIZCTEOSA-N 2 2 318.486 3.348 20 0 DGADLP CC/C=C/CC[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732350971 1204800984 /nfs/dbraw/zinc/80/09/84/1204800984.db2.gz DMRPKNBWEGMVCJ-NPQIQWPPSA-N 2 2 317.477 3.319 20 0 DGADLP CCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001732488802 1204869306 /nfs/dbraw/zinc/86/93/06/1204869306.db2.gz ODQKWNCTLPUMAU-RHSMWYFYSA-N 2 2 317.477 3.247 20 0 DGADLP CC(C)CC[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001734568011 1205396666 /nfs/dbraw/zinc/39/66/66/1205396666.db2.gz GYCCVGVGGLMEJN-HZPDHXFCSA-N 2 2 322.497 3.001 20 0 DGADLP COc1ccc(C)[nH+]c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046337 721969823 /nfs/dbraw/zinc/96/98/23/721969823.db2.gz FCJBNDVBKQFXEW-MRXNPFEDSA-N 2 2 303.450 3.243 20 0 DGADLP Cc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC001165047400 721977057 /nfs/dbraw/zinc/97/70/57/721977057.db2.gz GHIIJIYILKKSQU-KRWDZBQOSA-N 2 2 302.466 3.247 20 0 DGADLP CC(C)(c1ccnc(Cl)c1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001167059946 1081620035 /nfs/dbraw/zinc/62/00/35/1081620035.db2.gz LIFFJBORXVVKMP-GFCCVEGCSA-N 2 2 304.825 3.182 20 0 DGADLP CCc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)cc(C)[nH+]1 ZINC001167089267 1081669607 /nfs/dbraw/zinc/66/96/07/1081669607.db2.gz RQLHDIJXFBSXKF-UHFFFAOYSA-N 2 2 310.376 3.076 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001204447246 1081768818 /nfs/dbraw/zinc/76/88/18/1081768818.db2.gz HUDRSISTBPSEHU-UHFFFAOYSA-N 2 2 312.461 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001204447246 1081768824 /nfs/dbraw/zinc/76/88/24/1081768824.db2.gz HUDRSISTBPSEHU-UHFFFAOYSA-N 2 2 312.461 3.015 20 0 DGADLP COc1cc(C)c[nH+]c1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167161141 1081777256 /nfs/dbraw/zinc/77/72/56/1081777256.db2.gz XIUYWBNCDXTHST-UHFFFAOYSA-N 2 2 323.440 3.040 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001167342448 1081988819 /nfs/dbraw/zinc/98/88/19/1081988819.db2.gz XRJSNBVBRWPTDD-SJORKVTESA-N 2 2 317.477 3.429 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC001170098055 1082088658 /nfs/dbraw/zinc/08/86/58/1082088658.db2.gz KUHQTQFLEARGKJ-MAUKXSAKSA-N 2 2 302.462 3.438 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000075784306 1082100042 /nfs/dbraw/zinc/10/00/42/1082100042.db2.gz UYMRIPDPFMZORV-OAHLLOKOSA-N 2 2 317.433 3.249 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCSCc2csc(C[NH+](C)C)n2)C1 ZINC001170104161 1082102229 /nfs/dbraw/zinc/10/22/29/1082102229.db2.gz JQGZMMXNSLEWGJ-CHWSQXEVSA-N 2 2 313.536 3.216 20 0 DGADLP C[C@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000398231222 1082114252 /nfs/dbraw/zinc/11/42/52/1082114252.db2.gz WUUXUMBADGEMLV-LPHOPBHVSA-N 3 2 324.472 3.186 20 0 DGADLP C[C@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231222 1082114255 /nfs/dbraw/zinc/11/42/55/1082114255.db2.gz WUUXUMBADGEMLV-LPHOPBHVSA-N 3 2 324.472 3.186 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411441 1082370475 /nfs/dbraw/zinc/37/04/75/1082370475.db2.gz LLAPYVARLZDUPP-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170411441 1082370481 /nfs/dbraw/zinc/37/04/81/1082370481.db2.gz LLAPYVARLZDUPP-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP COCC[N@H+](CC[C@H]1CC=C(C)C1(C)C)C1CC[NH+](C)CC1 ZINC001207279165 1082502178 /nfs/dbraw/zinc/50/21/78/1082502178.db2.gz LODCPMUVUYHSCJ-QGZVFWFLSA-N 2 2 308.510 3.412 20 0 DGADLP COCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C1CC[NH+](C)CC1 ZINC001207279165 1082502183 /nfs/dbraw/zinc/50/21/83/1082502183.db2.gz LODCPMUVUYHSCJ-QGZVFWFLSA-N 2 2 308.510 3.412 20 0 DGADLP CC[N@H+](Cc1ccccc1)C1CCN(Cc2[nH]c[nH+]c2C)CC1 ZINC001204588353 1082537609 /nfs/dbraw/zinc/53/76/09/1082537609.db2.gz HZDWKDSETUWHLQ-UHFFFAOYSA-N 2 2 312.461 3.205 20 0 DGADLP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2[nH]c[nH+]c2C)CC1 ZINC001204588353 1082537614 /nfs/dbraw/zinc/53/76/14/1082537614.db2.gz HZDWKDSETUWHLQ-UHFFFAOYSA-N 2 2 312.461 3.205 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001267404576 1082871872 /nfs/dbraw/zinc/87/18/72/1082871872.db2.gz LPXVVKHVLFEUOV-UHFFFAOYSA-N 2 2 315.461 3.169 20 0 DGADLP C/C=C(\NC=[NH2+])[N@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170644477 1083030727 /nfs/dbraw/zinc/03/07/27/1083030727.db2.gz PMOHANFSNAXFKK-QBEHENORSA-N 3 2 312.461 3.172 20 0 DGADLP C/C=C(\NC=[NH2+])[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170644477 1083030731 /nfs/dbraw/zinc/03/07/31/1083030731.db2.gz PMOHANFSNAXFKK-QBEHENORSA-N 3 2 312.461 3.172 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001170685737 1083119509 /nfs/dbraw/zinc/11/95/09/1083119509.db2.gz QQSCFNTUWKPPBB-QGZVFWFLSA-N 2 2 320.427 3.382 20 0 DGADLP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c[nH+]c2c(c1)CCCN2 ZINC001170685665 1083123026 /nfs/dbraw/zinc/12/30/26/1083123026.db2.gz CZYJGCUMLYHTGD-ZDUSSCGKSA-N 2 2 319.412 3.090 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715120 1083222188 /nfs/dbraw/zinc/22/21/88/1083222188.db2.gz KCZSSYOOBLRYEF-HNNXBMFYSA-N 2 2 305.372 3.041 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715120 1083222192 /nfs/dbraw/zinc/22/21/92/1083222192.db2.gz KCZSSYOOBLRYEF-HNNXBMFYSA-N 2 2 305.372 3.041 20 0 DGADLP CC1(C)[C@@H]2C[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC001170716213 1083222728 /nfs/dbraw/zinc/22/27/28/1083222728.db2.gz QGJJNQBTFNWOAY-REPLKXPHSA-N 2 2 314.473 3.043 20 0 DGADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H](C[NH3+])c3ccc(Br)cc3)C[C@@H]21 ZINC001170724616 1083234115 /nfs/dbraw/zinc/23/41/15/1083234115.db2.gz NPMRGAMYISUBPZ-LXTVHRRPSA-N 2 2 323.278 3.473 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000689794089 1083352768 /nfs/dbraw/zinc/35/27/68/1083352768.db2.gz NQNAMMVHURKPCC-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000689794089 1083352770 /nfs/dbraw/zinc/35/27/70/1083352770.db2.gz NQNAMMVHURKPCC-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP CCCCC[N@H+](C)CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001181862746 1083560451 /nfs/dbraw/zinc/56/04/51/1083560451.db2.gz KJQAIXPZSJVGOR-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001181862746 1083560459 /nfs/dbraw/zinc/56/04/59/1083560459.db2.gz KJQAIXPZSJVGOR-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001167752027 1083626355 /nfs/dbraw/zinc/62/63/55/1083626355.db2.gz BGQSLEGLBRJDTG-INIZCTEOSA-N 2 2 302.466 3.358 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001167752027 1083626361 /nfs/dbraw/zinc/62/63/61/1083626361.db2.gz BGQSLEGLBRJDTG-INIZCTEOSA-N 2 2 302.466 3.358 20 0 DGADLP CC[NH+](CC)CCn1cc(Nc2ccc([N@H+](C)CC)cc2)cn1 ZINC001203264973 1083738938 /nfs/dbraw/zinc/73/89/38/1083738938.db2.gz UPMSJBJWMFFNML-UHFFFAOYSA-N 2 2 315.465 3.425 20 0 DGADLP CC[NH+](CC)CCn1cc(Nc2ccc([N@@H+](C)CC)cc2)cn1 ZINC001203264973 1083738952 /nfs/dbraw/zinc/73/89/52/1083738952.db2.gz UPMSJBJWMFFNML-UHFFFAOYSA-N 2 2 315.465 3.425 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccsc2Br)CC1 ZINC001205289139 1084095191 /nfs/dbraw/zinc/09/51/91/1084095191.db2.gz SYSRTDPQAOPMOW-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001205289139 1084095198 /nfs/dbraw/zinc/09/51/98/1084095198.db2.gz SYSRTDPQAOPMOW-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001184453656 1084186690 /nfs/dbraw/zinc/18/66/90/1084186690.db2.gz LGBXPSORPXMWPD-JTGQJZMRSA-N 2 2 315.461 3.167 20 0 DGADLP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc2ccccc2n2c[nH+]cc12 ZINC001185254483 1084394390 /nfs/dbraw/zinc/39/43/90/1084394390.db2.gz VSZUHXKYJMQLQR-ZFWWWQNUSA-N 2 2 309.417 3.167 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205333056 1084495749 /nfs/dbraw/zinc/49/57/49/1084495749.db2.gz VVFMNQXFAKUOAY-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001205333056 1084495752 /nfs/dbraw/zinc/49/57/52/1084495752.db2.gz VVFMNQXFAKUOAY-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP C[NH+](C)[C@H]1C[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1(C)C ZINC001186790292 1084702490 /nfs/dbraw/zinc/70/24/90/1084702490.db2.gz HSDBSDRCNGAUCQ-HOTGVXAUSA-N 2 2 309.417 3.023 20 0 DGADLP Cc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)ccc1[NH+](C)C ZINC001167988196 1086023879 /nfs/dbraw/zinc/02/38/79/1086023879.db2.gz VJZGLTXDBGFPSD-UHFFFAOYSA-N 2 2 309.413 3.212 20 0 DGADLP Cc1ncncc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168034013 1086473899 /nfs/dbraw/zinc/47/38/99/1086473899.db2.gz OBVMUYBFZQPVCT-HOTGVXAUSA-N 2 2 324.472 3.316 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)C2(C)COC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168061431 1086641383 /nfs/dbraw/zinc/64/13/83/1086641383.db2.gz ILDWKQPFHVLWTR-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)C2(C)COC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061431 1086641385 /nfs/dbraw/zinc/64/13/85/1086641385.db2.gz ILDWKQPFHVLWTR-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)C2(C)COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061431 1086641390 /nfs/dbraw/zinc/64/13/90/1086641390.db2.gz ILDWKQPFHVLWTR-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)C2(C)COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061431 1086641393 /nfs/dbraw/zinc/64/13/93/1086641393.db2.gz ILDWKQPFHVLWTR-ALXJQNPVSA-N 2 2 302.462 3.149 20 0 DGADLP CC[N@H+](C1COC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168065220 1086660381 /nfs/dbraw/zinc/66/03/81/1086660381.db2.gz UWRACHOQHMAEBY-HZPDHXFCSA-N 2 2 302.462 3.149 20 0 DGADLP CC[N@@H+](C1COC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168065220 1086660385 /nfs/dbraw/zinc/66/03/85/1086660385.db2.gz UWRACHOQHMAEBY-HZPDHXFCSA-N 2 2 302.462 3.149 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168093396 1086851801 /nfs/dbraw/zinc/85/18/01/1086851801.db2.gz MZJTUMSWMXHPJF-KDOFPFPSSA-N 2 2 320.452 3.256 20 0 DGADLP Clc1ccc(-c2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)nc1 ZINC001204691739 1086932140 /nfs/dbraw/zinc/93/21/40/1086932140.db2.gz KXANCPWQAVDPDW-UHFFFAOYSA-N 2 2 301.821 3.197 20 0 DGADLP Clc1ccc(-c2cccc(C[N@H+]3CCC[NH2+]CC3)c2)nc1 ZINC001204691739 1086932142 /nfs/dbraw/zinc/93/21/42/1086932142.db2.gz KXANCPWQAVDPDW-UHFFFAOYSA-N 2 2 301.821 3.197 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H](C)Cc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC001168184532 1087030630 /nfs/dbraw/zinc/03/06/30/1087030630.db2.gz UQJRNWGNUGGAJN-LBPRGKRZSA-N 2 2 303.837 3.337 20 0 DGADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)CC1 ZINC001168209203 1087057709 /nfs/dbraw/zinc/05/77/09/1087057709.db2.gz MQQVKTPKWFJDRO-HFPIOELMSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)CC1 ZINC001168209203 1087057712 /nfs/dbraw/zinc/05/77/12/1087057712.db2.gz MQQVKTPKWFJDRO-HFPIOELMSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C1CCC(C)CC1)CC2 ZINC001168212832 1087059325 /nfs/dbraw/zinc/05/93/25/1087059325.db2.gz RJBGSHHYNKFALZ-UHFFFAOYSA-N 2 2 318.509 3.462 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C1CCC(C)CC1)CC2 ZINC001168212832 1087059328 /nfs/dbraw/zinc/05/93/28/1087059328.db2.gz RJBGSHHYNKFALZ-UHFFFAOYSA-N 2 2 318.509 3.462 20 0 DGADLP CCN(CC[NH2+]CC1CCCC1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001482938743 1087192257 /nfs/dbraw/zinc/19/22/57/1087192257.db2.gz BZXJMTHJWTXGSG-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC001168351736 1087304735 /nfs/dbraw/zinc/30/47/35/1087304735.db2.gz WIUAPCTZVRTHGI-UHFFFAOYSA-N 2 2 318.509 3.395 20 0 DGADLP COc1ncccc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168365766 1087387415 /nfs/dbraw/zinc/38/74/15/1087387415.db2.gz WIGDJELDRWLXES-SFHVURJKSA-N 2 2 315.461 3.005 20 0 DGADLP Cc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2c([nH+]1)CCC2 ZINC001158267345 1087751498 /nfs/dbraw/zinc/75/14/98/1087751498.db2.gz WQCHFEUBDBWLLO-SCLBCKFNSA-N 2 2 302.466 3.229 20 0 DGADLP Cc1[nH+]cn([C@H](C)Cc2cccc(F)c2)c1CSCC[NH3+] ZINC001168460348 1087849268 /nfs/dbraw/zinc/84/92/68/1087849268.db2.gz SDVXBLWBAMPEDB-GFCCVEGCSA-N 2 2 307.438 3.326 20 0 DGADLP CCc1nc(N(C2CCCC2)C2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001158487668 1087858904 /nfs/dbraw/zinc/85/89/04/1087858904.db2.gz LXDXIHFSIREONW-UHFFFAOYSA-N 2 2 302.466 3.191 20 0 DGADLP CCc1cc(N(C2CCCC2)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001158487909 1087861912 /nfs/dbraw/zinc/86/19/12/1087861912.db2.gz RZAVFAGGJOMWOT-UHFFFAOYSA-N 2 2 302.466 3.191 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205117679 1088010790 /nfs/dbraw/zinc/01/07/90/1088010790.db2.gz RLQPZCJANKQUIL-JTQLQIEISA-N 2 2 303.269 3.132 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205117679 1088010807 /nfs/dbraw/zinc/01/08/07/1088010807.db2.gz RLQPZCJANKQUIL-JTQLQIEISA-N 2 2 303.269 3.132 20 0 DGADLP Cc1ccc2c(Nc3cccnc3N3CC[NH2+]CC3)cccc2[nH+]1 ZINC001159187037 1088223127 /nfs/dbraw/zinc/22/31/27/1088223127.db2.gz WMVCACSXFBSIEU-UHFFFAOYSA-N 2 2 319.412 3.091 20 0 DGADLP c1c[nH+]c(Nc2cccc3c2CC[NH2+]C3)c(N2CCCCC2)c1 ZINC001159364057 1088318531 /nfs/dbraw/zinc/31/85/31/1088318531.db2.gz JLISMNSPQCVCCE-UHFFFAOYSA-N 2 2 308.429 3.461 20 0 DGADLP COc1cc[nH+]cc1Nc1cnccc1[C@@H]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001159387167 1088329558 /nfs/dbraw/zinc/32/95/58/1088329558.db2.gz AKMJZFFLQSLSTI-MCIONIFRSA-N 2 2 312.417 3.460 20 0 DGADLP CCc1[nH+]ccc(C)c1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159417303 1088342396 /nfs/dbraw/zinc/34/23/96/1088342396.db2.gz VWSZFRLEULBPNZ-UHFFFAOYSA-N 2 2 310.445 3.101 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1cc(Br)c(Cl)cc1F ZINC001235435603 1088342651 /nfs/dbraw/zinc/34/26/51/1088342651.db2.gz SFITUOGSVKHNII-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1cc(Br)c(Cl)cc1F ZINC001235435603 1088342666 /nfs/dbraw/zinc/34/26/66/1088342666.db2.gz SFITUOGSVKHNII-UHFFFAOYSA-N 2 2 309.610 3.022 20 0 DGADLP CN(C)c1ccc(Nc2ccc(CC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001160014574 1088604104 /nfs/dbraw/zinc/60/41/04/1088604104.db2.gz BLLYAGOWFCEIPF-UHFFFAOYSA-N 2 2 310.445 3.433 20 0 DGADLP C[NH+]1CCN(c2cccc(N[C@@H](c3ccccc3)C3CC3)[nH+]2)CC1 ZINC001154645637 1088689420 /nfs/dbraw/zinc/68/94/20/1088689420.db2.gz OVIJIWSHCGZQCE-FQEVSTJZSA-N 2 2 322.456 3.397 20 0 DGADLP Cc1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]c2ccccc12 ZINC001160737450 1088936941 /nfs/dbraw/zinc/93/69/41/1088936941.db2.gz HRVHJAQZQADVBB-OCCSQVGLSA-N 2 2 309.335 3.496 20 0 DGADLP C[C@@H]1C[C@@H](CNc2cc(-c3ccnc(Cl)c3)cc[nH+]2)C[NH2+]1 ZINC001155101143 1088946701 /nfs/dbraw/zinc/94/67/01/1088946701.db2.gz LWAKEVXXVPHOEF-VXGBXAGGSA-N 2 2 302.809 3.207 20 0 DGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520786 1089143781 /nfs/dbraw/zinc/14/37/81/1089143781.db2.gz CIANSWLONYWJGK-DLBZAZTESA-N 2 2 322.497 3.241 20 0 DGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520786 1089143788 /nfs/dbraw/zinc/14/37/88/1089143788.db2.gz CIANSWLONYWJGK-DLBZAZTESA-N 2 2 322.497 3.241 20 0 DGADLP c1ccc(-c2cc[nH+]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC001155592530 1089177602 /nfs/dbraw/zinc/17/76/02/1089177602.db2.gz QLLUUPPVFWPUNH-OXJNMPFZSA-N 2 2 323.440 3.319 20 0 DGADLP CC(C)Oc1cc[nH+]c(NCc2c[nH+]cn2CC2CCC2)c1 ZINC001161533182 1089273702 /nfs/dbraw/zinc/27/37/02/1089273702.db2.gz KOLQHSSUOOGPHN-UHFFFAOYSA-N 2 2 300.406 3.478 20 0 DGADLP C[NH+](C)C1(CNc2cc(-c3ccccc3)ccn2)CC[NH+](C)CC1 ZINC001156182538 1089423552 /nfs/dbraw/zinc/42/35/52/1089423552.db2.gz XMHIXXSKWSMNST-UHFFFAOYSA-N 2 2 324.472 3.187 20 0 DGADLP COCCC1([NH3+])CCN(c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001162041252 1089537420 /nfs/dbraw/zinc/53/74/20/1089537420.db2.gz FRBCHTRELDAEKZ-UHFFFAOYSA-N 2 2 311.429 3.083 20 0 DGADLP CCOc1cc[nH+]c(NCC(C)(C)c2cc(OC)cc[nH+]2)c1 ZINC001162129452 1089561478 /nfs/dbraw/zinc/56/14/78/1089561478.db2.gz GDCUCEGWXYEJHD-UHFFFAOYSA-N 2 2 301.390 3.274 20 0 DGADLP CCc1cc(N2CCC(C[NH+](CC)CC)CC2)nc(CC)[nH+]1 ZINC001162177053 1089592306 /nfs/dbraw/zinc/59/23/06/1089592306.db2.gz PFNFRDMKZAASST-UHFFFAOYSA-N 2 2 304.482 3.160 20 0 DGADLP Cc1c[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)nc1NCC1CC1 ZINC001156772327 1089687110 /nfs/dbraw/zinc/68/71/10/1089687110.db2.gz AJRWPVJHQDNCOI-UHFFFAOYSA-N 2 2 317.481 3.092 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](Nc2c(Br)c[nH+]c3ccccc32)C1 ZINC001162402649 1089716802 /nfs/dbraw/zinc/71/68/02/1089716802.db2.gz UZUPCQXMMBNIEQ-GHMZBOCLSA-N 2 2 320.234 3.101 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]cc1C(F)(F)F ZINC001162454450 1089740157 /nfs/dbraw/zinc/74/01/57/1089740157.db2.gz OKEWLHWQPRDISZ-NEPJUHHUSA-N 2 2 301.356 3.456 20 0 DGADLP CCCc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc(CCC)[nH+]1 ZINC001162462676 1089745252 /nfs/dbraw/zinc/74/52/52/1089745252.db2.gz XELPHRPUANDVBE-GJZGRUSLSA-N 2 2 304.482 3.429 20 0 DGADLP C[C@@H]1C[C@@H](CNc2[nH+]cccc2OCc2ccccc2F)C[NH2+]1 ZINC001162552277 1089785045 /nfs/dbraw/zinc/78/50/45/1089785045.db2.gz BYWZCRBBCDKSLA-ZIAGYGMSSA-N 2 2 315.392 3.210 20 0 DGADLP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001162777352 1089949604 /nfs/dbraw/zinc/94/96/04/1089949604.db2.gz QTVWYCRCCWZGBK-CQSZACIVSA-N 2 2 317.396 3.290 20 0 DGADLP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162778720 1089952354 /nfs/dbraw/zinc/95/23/54/1089952354.db2.gz NWQIARKQTMZIJM-LBPRGKRZSA-N 2 2 321.359 3.370 20 0 DGADLP Cc1nc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c2c([nH+]1)CCC2 ZINC001157436359 1089966185 /nfs/dbraw/zinc/96/61/85/1089966185.db2.gz XBEBFEPCMCYBPP-QGZVFWFLSA-N 2 2 322.456 3.032 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(NCC[C@H]3CCOC34C[NH2+]C4)c2)cc1 ZINC001163083121 1090071621 /nfs/dbraw/zinc/07/16/21/1090071621.db2.gz XGZHPNICHMOLDQ-SFHVURJKSA-N 2 2 323.440 3.238 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001163164475 1090097391 /nfs/dbraw/zinc/09/73/91/1090097391.db2.gz VSBZMRUFMKOGTJ-GUDVDZBRSA-N 2 2 323.440 3.093 20 0 DGADLP c1ccc(-c2ccc[nH+]c2NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001163271110 1090135884 /nfs/dbraw/zinc/13/58/84/1090135884.db2.gz PKFSYYSMWNVMFO-OXQOHEQNSA-N 2 2 323.440 3.319 20 0 DGADLP CC(C)c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc(C(C)C)[nH+]1 ZINC001163317883 1090148829 /nfs/dbraw/zinc/14/88/29/1090148829.db2.gz XVPFCMGPCXWIRL-KSSFIOAISA-N 2 2 318.465 3.046 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc1NC(C)C ZINC001163358581 1090162393 /nfs/dbraw/zinc/16/23/93/1090162393.db2.gz UYLQTPZFLVJZTL-CABCVRRESA-N 2 2 305.470 3.136 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1NC(C)C ZINC001163358581 1090162396 /nfs/dbraw/zinc/16/23/96/1090162396.db2.gz UYLQTPZFLVJZTL-CABCVRRESA-N 2 2 305.470 3.136 20 0 DGADLP Cc1nc(N(C(C)C)[C@@H]2CC[NH2+]C2)cc(C2CCCCC2)[nH+]1 ZINC001158033770 1090177114 /nfs/dbraw/zinc/17/71/14/1090177114.db2.gz WULPTZDPQQQVTQ-MRXNPFEDSA-N 2 2 302.466 3.409 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164491446 1090432696 /nfs/dbraw/zinc/43/26/96/1090432696.db2.gz DMZBMZUYYVLSKZ-RCCFBDPRSA-N 2 2 323.440 3.413 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164491446 1090432700 /nfs/dbraw/zinc/43/27/00/1090432700.db2.gz DMZBMZUYYVLSKZ-RCCFBDPRSA-N 2 2 323.440 3.413 20 0 DGADLP Cc1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC001165324135 1090503981 /nfs/dbraw/zinc/50/39/81/1090503981.db2.gz VHZQFPCYWVQMOZ-MRXNPFEDSA-N 2 2 302.466 3.267 20 0 DGADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc3ccsc31)CC[NH2+]CC2 ZINC001165353562 1090510089 /nfs/dbraw/zinc/51/00/89/1090510089.db2.gz RHIBCFZSYRVESE-UHFFFAOYSA-N 2 2 318.833 3.132 20 0 DGADLP Clc1ccc2c(cc[nH+]c2N2CCC(C3C[NH2+]C3)CC2)c1 ZINC001165411859 1090517776 /nfs/dbraw/zinc/51/77/76/1090517776.db2.gz YRBUDZNTETWLOH-UHFFFAOYSA-N 2 2 301.821 3.324 20 0 DGADLP [NH3+]C1([C@@H]2CN(c3[nH+]ccc4cc(Cl)ccc43)C[C@@H]2CF)CC1 ZINC001165434544 1090521911 /nfs/dbraw/zinc/52/19/11/1090521911.db2.gz ZSQORQVIKWYZII-SWLSCSKDSA-N 2 2 319.811 3.401 20 0 DGADLP Cn1c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc2ccccc21 ZINC001649106854 1090598010 /nfs/dbraw/zinc/59/80/10/1090598010.db2.gz MWHKMICGRYVNOE-UHFFFAOYSA-N 2 2 323.425 3.110 20 0 DGADLP c1ccc([C@@H](CNc2ccc3c([nH+]2)NCCO3)[NH+]2CCCC2)cc1 ZINC001166911302 1090676374 /nfs/dbraw/zinc/67/63/74/1090676374.db2.gz TUPBQDPBVARRCD-MRXNPFEDSA-N 2 2 324.428 3.135 20 0 DGADLP CCc1[nH]c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c(C)[nH+]1 ZINC001203240833 1090707648 /nfs/dbraw/zinc/70/76/48/1090707648.db2.gz LBSLJMHLHVMKFY-UHFFFAOYSA-N 2 2 317.477 3.452 20 0 DGADLP COc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1O ZINC001203873305 1090825480 /nfs/dbraw/zinc/82/54/80/1090825480.db2.gz BPXBEZBZUSWMIF-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP COc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1O ZINC001203873305 1090825486 /nfs/dbraw/zinc/82/54/86/1090825486.db2.gz BPXBEZBZUSWMIF-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204061810 1090887088 /nfs/dbraw/zinc/88/70/88/1090887088.db2.gz AHWFZHISKLXYFQ-OALUTQOASA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204061810 1090887093 /nfs/dbraw/zinc/88/70/93/1090887093.db2.gz AHWFZHISKLXYFQ-OALUTQOASA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204061810 1090887097 /nfs/dbraw/zinc/88/70/97/1090887097.db2.gz AHWFZHISKLXYFQ-OALUTQOASA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204061810 1090887101 /nfs/dbraw/zinc/88/71/01/1090887101.db2.gz AHWFZHISKLXYFQ-OALUTQOASA-N 2 2 307.441 3.036 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069712 1090890446 /nfs/dbraw/zinc/89/04/46/1090890446.db2.gz BKLLEFLLUODBCF-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069712 1090890452 /nfs/dbraw/zinc/89/04/52/1090890452.db2.gz BKLLEFLLUODBCF-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069712 1090890457 /nfs/dbraw/zinc/89/04/57/1090890457.db2.gz BKLLEFLLUODBCF-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001204069712 1090890462 /nfs/dbraw/zinc/89/04/62/1090890462.db2.gz BKLLEFLLUODBCF-VQTJNVASSA-N 2 2 321.468 3.344 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)cc1 ZINC001204177645 1090915057 /nfs/dbraw/zinc/91/50/57/1090915057.db2.gz AOILDQRFNFIXIL-HXUWFJFHSA-N 2 2 316.489 3.324 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)cc1 ZINC001204177645 1090915059 /nfs/dbraw/zinc/91/50/59/1090915059.db2.gz AOILDQRFNFIXIL-HXUWFJFHSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001204224662 1090927278 /nfs/dbraw/zinc/92/72/78/1090927278.db2.gz QPAXNQNZTJAABU-UHFFFAOYSA-N 2 2 317.383 3.407 20 0 DGADLP COc1ccc2cc(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)ccc2c1 ZINC001204518153 1090988799 /nfs/dbraw/zinc/98/87/99/1090988799.db2.gz UEQGBVJSYJLQES-ICSRJNTNSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)ccc2c1 ZINC001204518153 1090988803 /nfs/dbraw/zinc/98/88/03/1090988803.db2.gz UEQGBVJSYJLQES-ICSRJNTNSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)ccc2c1 ZINC001204518153 1090988809 /nfs/dbraw/zinc/98/88/09/1090988809.db2.gz UEQGBVJSYJLQES-ICSRJNTNSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)ccc2c1 ZINC001204518153 1090988814 /nfs/dbraw/zinc/98/88/14/1090988814.db2.gz UEQGBVJSYJLQES-ICSRJNTNSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1nc[nH]c1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001204589305 1091003166 /nfs/dbraw/zinc/00/31/66/1091003166.db2.gz SITZSTRETOCFGI-BJLQDIEVSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1nc[nH]c1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001204589305 1091003171 /nfs/dbraw/zinc/00/31/71/1091003171.db2.gz SITZSTRETOCFGI-BJLQDIEVSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1nc[nH]c1C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001204589305 1091003177 /nfs/dbraw/zinc/00/31/77/1091003177.db2.gz SITZSTRETOCFGI-BJLQDIEVSA-N 2 2 324.472 3.329 20 0 DGADLP Cc1nc[nH]c1C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001204589305 1091003182 /nfs/dbraw/zinc/00/31/82/1091003182.db2.gz SITZSTRETOCFGI-BJLQDIEVSA-N 2 2 324.472 3.329 20 0 DGADLP Clc1cccc2c1C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001168739852 1091034514 /nfs/dbraw/zinc/03/45/14/1091034514.db2.gz REKWMTQUCNKOLS-ZIAGYGMSSA-N 2 2 301.821 3.343 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001204895716 1091057531 /nfs/dbraw/zinc/05/75/31/1091057531.db2.gz BIENZBFKEUHGGQ-QGZVFWFLSA-N 2 2 321.896 3.303 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893895 1091057709 /nfs/dbraw/zinc/05/77/09/1091057709.db2.gz OXQWCZUPNTWVSY-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893895 1091057714 /nfs/dbraw/zinc/05/77/14/1091057714.db2.gz OXQWCZUPNTWVSY-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893895 1091057718 /nfs/dbraw/zinc/05/77/18/1091057718.db2.gz OXQWCZUPNTWVSY-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893895 1091057723 /nfs/dbraw/zinc/05/77/23/1091057723.db2.gz OXQWCZUPNTWVSY-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001205008932 1091082429 /nfs/dbraw/zinc/08/24/29/1091082429.db2.gz HFIPPCWZMAEEDJ-GFCCVEGCSA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001205008932 1091082434 /nfs/dbraw/zinc/08/24/34/1091082434.db2.gz HFIPPCWZMAEEDJ-GFCCVEGCSA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001205009590 1091083412 /nfs/dbraw/zinc/08/34/12/1091083412.db2.gz YIYWZMWCXNHQIP-GFCCVEGCSA-N 2 2 320.330 3.156 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001205009590 1091083415 /nfs/dbraw/zinc/08/34/15/1091083415.db2.gz YIYWZMWCXNHQIP-GFCCVEGCSA-N 2 2 320.330 3.156 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001138581294 1091239254 /nfs/dbraw/zinc/23/92/54/1091239254.db2.gz DCXUACZWQSPYOX-UHFFFAOYSA-N 2 2 306.498 3.404 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001138581294 1091239266 /nfs/dbraw/zinc/23/92/66/1091239266.db2.gz DCXUACZWQSPYOX-UHFFFAOYSA-N 2 2 306.498 3.404 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001205517116 1091240084 /nfs/dbraw/zinc/24/00/84/1091240084.db2.gz HAEHLGBNDSFOGK-INIZCTEOSA-N 2 2 305.466 3.242 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC001138581362 1091240263 /nfs/dbraw/zinc/24/02/63/1091240263.db2.gz HDWUUQBFVBMABU-HNNXBMFYSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC001138581362 1091240273 /nfs/dbraw/zinc/24/02/73/1091240273.db2.gz HDWUUQBFVBMABU-HNNXBMFYSA-N 2 2 314.433 3.064 20 0 DGADLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001205558442 1091254034 /nfs/dbraw/zinc/25/40/34/1091254034.db2.gz FKMCAQKJKADMIH-NSHDSACASA-N 2 2 312.241 3.103 20 0 DGADLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2sc(Cl)nc2Cl)CC1 ZINC001205558442 1091254043 /nfs/dbraw/zinc/25/40/43/1091254043.db2.gz FKMCAQKJKADMIH-NSHDSACASA-N 2 2 312.241 3.103 20 0 DGADLP CNc1ncccc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001138696906 1091291240 /nfs/dbraw/zinc/29/12/40/1091291240.db2.gz LIECKKYFFWSVDG-UHFFFAOYSA-N 2 2 316.493 3.352 20 0 DGADLP CNc1ncccc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001138696906 1091291246 /nfs/dbraw/zinc/29/12/46/1091291246.db2.gz LIECKKYFFWSVDG-UHFFFAOYSA-N 2 2 316.493 3.352 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716884 1091296785 /nfs/dbraw/zinc/29/67/85/1091296785.db2.gz BWSIJVQFYKLMDF-GOSISDBHSA-N 2 2 324.424 3.368 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716884 1091296792 /nfs/dbraw/zinc/29/67/92/1091296792.db2.gz BWSIJVQFYKLMDF-GOSISDBHSA-N 2 2 324.424 3.368 20 0 DGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C[C@H]1CCCC(C)(C)C1 ZINC001205706358 1091318707 /nfs/dbraw/zinc/31/87/07/1091318707.db2.gz GKMQLPNNOPYKSP-SFHVURJKSA-N 3 2 311.558 3.408 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4Cl)C[C@H]2C1 ZINC001138837030 1091352450 /nfs/dbraw/zinc/35/24/50/1091352450.db2.gz IUFNINBQIKNYHE-ZIAGYGMSSA-N 2 2 303.837 3.205 20 0 DGADLP CCSc1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205794831 1091352877 /nfs/dbraw/zinc/35/28/77/1091352877.db2.gz BRBZJFCGVLPHQB-ZDUSSCGKSA-N 2 2 300.418 3.215 20 0 DGADLP CCSc1ccccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205794831 1091352888 /nfs/dbraw/zinc/35/28/88/1091352888.db2.gz BRBZJFCGVLPHQB-ZDUSSCGKSA-N 2 2 300.418 3.215 20 0 DGADLP c1ccc2nc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001138866034 1091358905 /nfs/dbraw/zinc/35/89/05/1091358905.db2.gz AAIFDPVBESYVAM-SFHVURJKSA-N 2 2 324.472 3.470 20 0 DGADLP c1ccc2nc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001138866034 1091358915 /nfs/dbraw/zinc/35/89/15/1091358915.db2.gz AAIFDPVBESYVAM-SFHVURJKSA-N 2 2 324.472 3.470 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819039 1091363691 /nfs/dbraw/zinc/36/36/91/1091363691.db2.gz WJIVYTXLYKZPJG-WMZOPIPTSA-N 2 2 301.478 3.236 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819039 1091363703 /nfs/dbraw/zinc/36/37/03/1091363703.db2.gz WJIVYTXLYKZPJG-WMZOPIPTSA-N 2 2 301.478 3.236 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829911 1091370035 /nfs/dbraw/zinc/37/00/35/1091370035.db2.gz QCCRRZGGAFSLML-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829911 1091370047 /nfs/dbraw/zinc/37/00/47/1091370047.db2.gz QCCRRZGGAFSLML-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP Clc1cnc2[nH]ccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001138951833 1091387805 /nfs/dbraw/zinc/38/78/05/1091387805.db2.gz JKEMJCTYMGEBOY-UHFFFAOYSA-N 2 2 315.808 3.202 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1sccc1Br ZINC001205903502 1091402247 /nfs/dbraw/zinc/40/22/47/1091402247.db2.gz PTAPGENTVCKTHC-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1sccc1Br ZINC001205903502 1091402251 /nfs/dbraw/zinc/40/22/51/1091402251.db2.gz PTAPGENTVCKTHC-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP CCOc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)c(OCC)c1 ZINC001138983672 1091407002 /nfs/dbraw/zinc/40/70/02/1091407002.db2.gz CEXAKQHEPDWYMF-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)c(OCC)c1 ZINC001138983672 1091407007 /nfs/dbraw/zinc/40/70/07/1091407007.db2.gz CEXAKQHEPDWYMF-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912860 1091407821 /nfs/dbraw/zinc/40/78/21/1091407821.db2.gz DFLYYJQDFVKPLB-NWDGAFQWSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912860 1091407828 /nfs/dbraw/zinc/40/78/28/1091407828.db2.gz DFLYYJQDFVKPLB-NWDGAFQWSA-N 2 2 316.367 3.273 20 0 DGADLP CCCOc1ccccc1C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001139001779 1091413107 /nfs/dbraw/zinc/41/31/07/1091413107.db2.gz JNTUCFPOQCUHCT-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CCCOc1ccccc1C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001139001779 1091413111 /nfs/dbraw/zinc/41/31/11/1091413111.db2.gz JNTUCFPOQCUHCT-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139052767 1091430806 /nfs/dbraw/zinc/43/08/06/1091430806.db2.gz NOPATGTYVZFCNL-QZTJIDSGSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139052767 1091430811 /nfs/dbraw/zinc/43/08/11/1091430811.db2.gz NOPATGTYVZFCNL-QZTJIDSGSA-N 2 2 316.489 3.387 20 0 DGADLP CCCc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc(C)[nH+]1 ZINC001161186220 1091511031 /nfs/dbraw/zinc/51/10/31/1091511031.db2.gz DQHJJEFKOUMICN-KRWDZBQOSA-N 2 2 302.466 3.414 20 0 DGADLP CCCc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc(C)[nH+]1 ZINC001161186220 1091511041 /nfs/dbraw/zinc/51/10/41/1091511041.db2.gz DQHJJEFKOUMICN-KRWDZBQOSA-N 2 2 302.466 3.414 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206163372 1091517210 /nfs/dbraw/zinc/51/72/10/1091517210.db2.gz BWTVJEWXDSNPMW-LSDHHAIUSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206163372 1091517214 /nfs/dbraw/zinc/51/72/14/1091517214.db2.gz BWTVJEWXDSNPMW-LSDHHAIUSA-N 2 2 321.827 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@H]1F ZINC001206167306 1091517247 /nfs/dbraw/zinc/51/72/47/1091517247.db2.gz YGEAVQOMLPACOR-HUUCEWRRSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccc(Cl)c3n2)CC[C@H]1F ZINC001206167306 1091517256 /nfs/dbraw/zinc/51/72/56/1091517256.db2.gz YGEAVQOMLPACOR-HUUCEWRRSA-N 2 2 307.800 3.149 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c(Cl)nc12 ZINC001206188958 1091526957 /nfs/dbraw/zinc/52/69/57/1091526957.db2.gz WLTVOJOWGVQDIJ-LSDHHAIUSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1cccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c(Cl)nc12 ZINC001206188958 1091526963 /nfs/dbraw/zinc/52/69/63/1091526963.db2.gz WLTVOJOWGVQDIJ-LSDHHAIUSA-N 2 2 321.827 3.458 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206187454 1091527158 /nfs/dbraw/zinc/52/71/58/1091527158.db2.gz TUZNOOXWGMAUCP-NWDGAFQWSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206187454 1091527161 /nfs/dbraw/zinc/52/71/61/1091527161.db2.gz TUZNOOXWGMAUCP-NWDGAFQWSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257640 1091553505 /nfs/dbraw/zinc/55/35/05/1091553505.db2.gz FZAULHNJQNHZEU-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257640 1091553513 /nfs/dbraw/zinc/55/35/13/1091553513.db2.gz FZAULHNJQNHZEU-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)ccc1OC(C)C ZINC001206370600 1091603435 /nfs/dbraw/zinc/60/34/35/1091603435.db2.gz NETOTXJDFCCPCA-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)ccc1OC(C)C ZINC001206370600 1091603437 /nfs/dbraw/zinc/60/34/37/1091603437.db2.gz NETOTXJDFCCPCA-GOSISDBHSA-N 2 2 308.441 3.435 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644606 1091631814 /nfs/dbraw/zinc/63/18/14/1091631814.db2.gz LHBSMFDQYQFMPG-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644606 1091631819 /nfs/dbraw/zinc/63/18/19/1091631819.db2.gz LHBSMFDQYQFMPG-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644606 1091631825 /nfs/dbraw/zinc/63/18/25/1091631825.db2.gz LHBSMFDQYQFMPG-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644606 1091631830 /nfs/dbraw/zinc/63/18/30/1091631830.db2.gz LHBSMFDQYQFMPG-UXHICEINSA-N 2 2 307.441 3.275 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1F ZINC001206556221 1091669097 /nfs/dbraw/zinc/66/90/97/1091669097.db2.gz OTUAINAJCUVQMU-QGZVFWFLSA-N 2 2 312.404 3.314 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1F ZINC001206556221 1091669101 /nfs/dbraw/zinc/66/91/01/1091669101.db2.gz OTUAINAJCUVQMU-QGZVFWFLSA-N 2 2 312.404 3.314 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001206563271 1091670310 /nfs/dbraw/zinc/67/03/10/1091670310.db2.gz AXNDAPGCLADZOT-OAHLLOKOSA-N 2 2 316.367 3.362 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001206563271 1091670315 /nfs/dbraw/zinc/67/03/15/1091670315.db2.gz AXNDAPGCLADZOT-OAHLLOKOSA-N 2 2 316.367 3.362 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001206575340 1091674915 /nfs/dbraw/zinc/67/49/15/1091674915.db2.gz WCEQCFBOONDGCS-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001206575340 1091674921 /nfs/dbraw/zinc/67/49/21/1091674921.db2.gz WCEQCFBOONDGCS-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934114 1091717992 /nfs/dbraw/zinc/71/79/92/1091717992.db2.gz DLHCDRZZVYOYGX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934114 1091717996 /nfs/dbraw/zinc/71/79/96/1091717996.db2.gz DLHCDRZZVYOYGX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934114 1091718000 /nfs/dbraw/zinc/71/80/00/1091718000.db2.gz DLHCDRZZVYOYGX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139934114 1091718004 /nfs/dbraw/zinc/71/80/04/1091718004.db2.gz DLHCDRZZVYOYGX-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770837 1091733349 /nfs/dbraw/zinc/73/33/49/1091733349.db2.gz TWKDJBIECRXMPZ-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770837 1091733353 /nfs/dbraw/zinc/73/33/53/1091733353.db2.gz TWKDJBIECRXMPZ-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP CC[N@H+](Cc1ccccc1-c1cncnc1)C1CC[NH+](C)CC1 ZINC001140018964 1091738461 /nfs/dbraw/zinc/73/84/61/1091738461.db2.gz PIAZNTOFMDUSPD-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](Cc1ccccc1-c1cncnc1)C1CC[NH+](C)CC1 ZINC001140018964 1091738472 /nfs/dbraw/zinc/73/84/72/1091738472.db2.gz PIAZNTOFMDUSPD-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001140020998 1091740824 /nfs/dbraw/zinc/74/08/24/1091740824.db2.gz GXTVTYVHRWSNIW-BEFAXECRSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001140020998 1091740828 /nfs/dbraw/zinc/74/08/28/1091740828.db2.gz GXTVTYVHRWSNIW-BEFAXECRSA-N 2 2 313.445 3.164 20 0 DGADLP C[C@H](CC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1)CC(C)(C)C ZINC001276503957 1091827982 /nfs/dbraw/zinc/82/79/82/1091827982.db2.gz NBLFEEVRSQFLEQ-QGZVFWFLSA-N 2 2 318.509 3.106 20 0 DGADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207155911 1091866885 /nfs/dbraw/zinc/86/68/85/1091866885.db2.gz GYZOKWVJXHGBRX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cncc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207155911 1091866893 /nfs/dbraw/zinc/86/68/93/1091866893.db2.gz GYZOKWVJXHGBRX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cncc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207155911 1091866900 /nfs/dbraw/zinc/86/69/00/1091866900.db2.gz GYZOKWVJXHGBRX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cncc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001207155911 1091866905 /nfs/dbraw/zinc/86/69/05/1091866905.db2.gz GYZOKWVJXHGBRX-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP c1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CCC3CC3)nc2c1 ZINC001276513286 1091873669 /nfs/dbraw/zinc/87/36/69/1091873669.db2.gz MBVOMSHJGABGJE-ALOPSCKCSA-N 2 2 324.472 3.448 20 0 DGADLP c1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CCC3CC3)nc2c1 ZINC001276513286 1091873673 /nfs/dbraw/zinc/87/36/73/1091873673.db2.gz MBVOMSHJGABGJE-ALOPSCKCSA-N 2 2 324.472 3.448 20 0 DGADLP c1csc(-c2ccccc2C[NH+]2CCC([NH+]3CCC3)CC2)n1 ZINC001140454745 1091874674 /nfs/dbraw/zinc/87/46/74/1091874674.db2.gz PCPWBGDMSVOVIM-UHFFFAOYSA-N 2 2 313.470 3.480 20 0 DGADLP Cc1cc(N2CC[NH+](CC3CCC(F)(F)CC3)CC2)nc(C)[nH+]1 ZINC001207346900 1091932133 /nfs/dbraw/zinc/93/21/33/1091932133.db2.gz DISVDDIZNRBQRN-UHFFFAOYSA-N 2 2 324.419 3.041 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(F)cc3C)CC2)CC1 ZINC001140780742 1091996311 /nfs/dbraw/zinc/99/63/11/1091996311.db2.gz JUICMNMVTRTQTE-UHFFFAOYSA-N 2 2 320.452 3.209 20 0 DGADLP C[NH+](C)CCC[NH+](CCCCc1ccccc1)CCC[NH+](C)C ZINC001207617240 1092042806 /nfs/dbraw/zinc/04/28/06/1092042806.db2.gz XTPIHQHFACBYRB-UHFFFAOYSA-N 3 2 319.537 3.215 20 0 DGADLP C[N@H+](Cc1ccc(-c2ccccn2)s1)C1CC[NH+](C)CC1 ZINC001140998604 1092100410 /nfs/dbraw/zinc/10/04/10/1092100410.db2.gz BBDDFDJSWXMVPC-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ccccn2)s1)C1CC[NH+](C)CC1 ZINC001140998604 1092100414 /nfs/dbraw/zinc/10/04/14/1092100414.db2.gz BBDDFDJSWXMVPC-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP CCCCc1[nH]c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c[nH+]1 ZINC001141071940 1092127627 /nfs/dbraw/zinc/12/76/27/1092127627.db2.gz IBURUEWKLLASTN-UHFFFAOYSA-N 2 2 324.472 3.070 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCCO2)CC1 ZINC001207965000 1092162059 /nfs/dbraw/zinc/16/20/59/1092162059.db2.gz SAVANUMTBZDTTD-LJQANCHMSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@H]2CCCCO2)CC1 ZINC001207965000 1092162061 /nfs/dbraw/zinc/16/20/61/1092162061.db2.gz SAVANUMTBZDTTD-LJQANCHMSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1Cc2ccccc2O1 ZINC001141245802 1092191887 /nfs/dbraw/zinc/19/18/87/1092191887.db2.gz RSBHINFDXMAWGA-LJQANCHMSA-N 2 2 319.408 3.308 20 0 DGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1Cc2ccccc2O1 ZINC001141245802 1092191892 /nfs/dbraw/zinc/19/18/92/1092191892.db2.gz RSBHINFDXMAWGA-LJQANCHMSA-N 2 2 319.408 3.308 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@@H]3CCC(C)=C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001208174834 1092242490 /nfs/dbraw/zinc/24/24/90/1092242490.db2.gz KZYVIDGWEVJWAS-YJBOKZPZSA-N 2 2 314.477 3.208 20 0 DGADLP C[NH+](C)CC1(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CCCC1 ZINC001208183761 1092249231 /nfs/dbraw/zinc/24/92/31/1092249231.db2.gz GDUWGWHJMNEKMM-ROUUACIJSA-N 2 2 312.457 3.020 20 0 DGADLP C[NH+](C)CC1(C[N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CCCC1 ZINC001208183761 1092249245 /nfs/dbraw/zinc/24/92/45/1092249245.db2.gz GDUWGWHJMNEKMM-ROUUACIJSA-N 2 2 312.457 3.020 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590627 1092286504 /nfs/dbraw/zinc/28/65/04/1092286504.db2.gz HQJHPMGXNGRCEL-PXAZEXFGSA-N 2 2 303.837 3.347 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590627 1092286513 /nfs/dbraw/zinc/28/65/13/1092286513.db2.gz HQJHPMGXNGRCEL-PXAZEXFGSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590627 1092286523 /nfs/dbraw/zinc/28/65/23/1092286523.db2.gz HQJHPMGXNGRCEL-PXAZEXFGSA-N 2 2 303.837 3.347 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)ccc34)C[C@@H]21 ZINC001141590627 1092286533 /nfs/dbraw/zinc/28/65/33/1092286533.db2.gz HQJHPMGXNGRCEL-PXAZEXFGSA-N 2 2 303.837 3.347 20 0 DGADLP Fc1cc2ncccc2cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001141634481 1092301770 /nfs/dbraw/zinc/30/17/70/1092301770.db2.gz FEMHJAGXJMOTGV-QGZVFWFLSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1cc2ncccc2cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001141634481 1092301783 /nfs/dbraw/zinc/30/17/83/1092301783.db2.gz FEMHJAGXJMOTGV-QGZVFWFLSA-N 2 2 323.371 3.422 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc4cccnc4cc3F)C[C@@H]2C1 ZINC001141634886 1092302068 /nfs/dbraw/zinc/30/20/68/1092302068.db2.gz VIFLYGFDFPUQQC-IRXDYDNUSA-N 2 2 313.420 3.148 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604615 1092421649 /nfs/dbraw/zinc/42/16/49/1092421649.db2.gz RBDYTQRYLSMUOX-FXAWDEMLSA-N 2 2 309.457 3.235 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604615 1092421653 /nfs/dbraw/zinc/42/16/53/1092421653.db2.gz RBDYTQRYLSMUOX-FXAWDEMLSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604615 1092421660 /nfs/dbraw/zinc/42/16/60/1092421660.db2.gz RBDYTQRYLSMUOX-FXAWDEMLSA-N 2 2 309.457 3.235 20 0 DGADLP C[NH+]1CCC[C@H](C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001208604615 1092421669 /nfs/dbraw/zinc/42/16/69/1092421669.db2.gz RBDYTQRYLSMUOX-FXAWDEMLSA-N 2 2 309.457 3.235 20 0 DGADLP COc1cccc([C@H]2CSCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208619935 1092431165 /nfs/dbraw/zinc/43/11/65/1092431165.db2.gz ZKPUNSMFWNDUEA-MAUKXSAKSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@H]2CSCC[N@H+]2C[C@H]2CCC[NH+](C)C2)c1 ZINC001208619935 1092431169 /nfs/dbraw/zinc/43/11/69/1092431169.db2.gz ZKPUNSMFWNDUEA-MAUKXSAKSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@H]2CSCC[NH+]2C[C@H]2CCC[N@H+](C)C2)c1 ZINC001208619935 1092431173 /nfs/dbraw/zinc/43/11/73/1092431173.db2.gz ZKPUNSMFWNDUEA-MAUKXSAKSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@H]2CSCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001208619935 1092431176 /nfs/dbraw/zinc/43/11/76/1092431176.db2.gz ZKPUNSMFWNDUEA-MAUKXSAKSA-N 2 2 320.502 3.127 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001208649058 1092440417 /nfs/dbraw/zinc/44/04/17/1092440417.db2.gz PDVIPVXXBLCDJD-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP CC1(C)C[C@H](Nc2[nH+]cnc3[nH]cc(F)c32)C[C@@](C)(C[NH3+])C1 ZINC001169135645 1092549125 /nfs/dbraw/zinc/54/91/25/1092549125.db2.gz CHOPOFMCRUXIFZ-MGPLVRAMSA-N 2 2 305.401 3.053 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3csc(Cl)c3)CC2)cc[nH+]1 ZINC001142780298 1092551529 /nfs/dbraw/zinc/55/15/29/1092551529.db2.gz OEVDBMDUWVFRAF-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP CC1(C)C[C@H]([NH2+]c2ccc3c(c2)NCCO3)C[C@](C)(C[NH3+])C1 ZINC001169143526 1092558714 /nfs/dbraw/zinc/55/87/14/1092558714.db2.gz KILUMDBZQIZRAY-KSSFIOAISA-N 2 2 303.450 3.447 20 0 DGADLP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162933 1092573716 /nfs/dbraw/zinc/57/37/16/1092573716.db2.gz VNIDAIHBGVWIJA-PMOLBWCYSA-N 3 2 319.537 3.341 20 0 DGADLP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169162933 1092573727 /nfs/dbraw/zinc/57/37/27/1092573727.db2.gz VNIDAIHBGVWIJA-PMOLBWCYSA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162933 1092573739 /nfs/dbraw/zinc/57/37/39/1092573739.db2.gz VNIDAIHBGVWIJA-PMOLBWCYSA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162933 1092573747 /nfs/dbraw/zinc/57/37/47/1092573747.db2.gz VNIDAIHBGVWIJA-PMOLBWCYSA-N 3 2 319.537 3.341 20 0 DGADLP CC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941365 1092602799 /nfs/dbraw/zinc/60/27/99/1092602799.db2.gz YKJBIKCGOCWGQF-UXHICEINSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941365 1092602802 /nfs/dbraw/zinc/60/28/02/1092602802.db2.gz YKJBIKCGOCWGQF-UXHICEINSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941365 1092602806 /nfs/dbraw/zinc/60/28/06/1092602806.db2.gz YKJBIKCGOCWGQF-UXHICEINSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941365 1092602808 /nfs/dbraw/zinc/60/28/08/1092602808.db2.gz YKJBIKCGOCWGQF-UXHICEINSA-N 2 2 314.473 3.200 20 0 DGADLP C[C@@H]([NH3+])c1ccn(-c2cc[nH+]c3ccc(C(F)(F)F)cc32)n1 ZINC001169233048 1092603552 /nfs/dbraw/zinc/60/35/52/1092603552.db2.gz MYSUZUNNTOWTBR-SECBINFHSA-N 2 2 306.291 3.459 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC(C(C)=O)(c3ccccc3)CC2)CC1 ZINC001169258933 1092620944 /nfs/dbraw/zinc/62/09/44/1092620944.db2.gz UXNNERBTESIJSN-UHFFFAOYSA-N 2 2 314.473 3.094 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119809 1092660582 /nfs/dbraw/zinc/66/05/82/1092660582.db2.gz VPGJPTOAENVGBT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119809 1092660586 /nfs/dbraw/zinc/66/05/86/1092660586.db2.gz VPGJPTOAENVGBT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119809 1092660594 /nfs/dbraw/zinc/66/05/94/1092660594.db2.gz VPGJPTOAENVGBT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119809 1092660597 /nfs/dbraw/zinc/66/05/97/1092660597.db2.gz VPGJPTOAENVGBT-GDBMZVCRSA-N 2 2 312.379 3.274 20 0 DGADLP CC(C)=CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001276627191 1092712223 /nfs/dbraw/zinc/71/22/23/1092712223.db2.gz OVXTWJWKNJNCDZ-QGZVFWFLSA-N 2 2 315.461 3.071 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209281886 1092723827 /nfs/dbraw/zinc/72/38/27/1092723827.db2.gz KLZTZNOIWIRIAJ-GDBMZVCRSA-N 2 2 312.379 3.131 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209281886 1092723833 /nfs/dbraw/zinc/72/38/33/1092723833.db2.gz KLZTZNOIWIRIAJ-GDBMZVCRSA-N 2 2 312.379 3.131 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206632348 1092725557 /nfs/dbraw/zinc/72/55/57/1092725557.db2.gz JJYAKJJGLWHPCE-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206632348 1092725561 /nfs/dbraw/zinc/72/55/61/1092725561.db2.gz JJYAKJJGLWHPCE-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206633595 1092770820 /nfs/dbraw/zinc/77/08/20/1092770820.db2.gz YRAGHMHKOLXXIO-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Cl ZINC001206633595 1092770828 /nfs/dbraw/zinc/77/08/28/1092770828.db2.gz YRAGHMHKOLXXIO-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP Nc1cc[nH+]cc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC001209733635 1092894345 /nfs/dbraw/zinc/89/43/45/1092894345.db2.gz GUEOJMJMAGEIHS-UHFFFAOYSA-N 2 2 324.453 3.483 20 0 DGADLP Cc1cn2cc(Nc3ccccc3C[NH+]3CCOCC3)ccc2[nH+]1 ZINC001209927002 1092982079 /nfs/dbraw/zinc/98/20/79/1092982079.db2.gz LRRXJDSTYJOBAK-UHFFFAOYSA-N 2 2 322.412 3.219 20 0 DGADLP c1cc2cc[nH+]cc2c(Nc2c[nH+]ccc2N2CCOCC2)c1 ZINC001210225902 1093086179 /nfs/dbraw/zinc/08/61/79/1093086179.db2.gz OGEDYYSDLKRSDX-UHFFFAOYSA-N 2 2 306.369 3.210 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001210475995 1093180388 /nfs/dbraw/zinc/18/03/88/1093180388.db2.gz QJIVZSUCEPAUKA-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001210475995 1093180391 /nfs/dbraw/zinc/18/03/91/1093180391.db2.gz QJIVZSUCEPAUKA-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(N(C)c3cccc(C)c3)cc2)C1 ZINC001210561518 1093211230 /nfs/dbraw/zinc/21/12/30/1093211230.db2.gz OGNUVBVFQATWJX-UHFFFAOYSA-N 2 2 309.457 3.414 20 0 DGADLP Cc1ccc([N@@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)c(N)c1 ZINC001214182176 1093728719 /nfs/dbraw/zinc/72/87/19/1093728719.db2.gz FTRVJGNRSCEQDY-UHFFFAOYSA-N 2 2 308.360 3.236 20 0 DGADLP Cc1ccc([N@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)c(N)c1 ZINC001214182176 1093728723 /nfs/dbraw/zinc/72/87/23/1093728723.db2.gz FTRVJGNRSCEQDY-UHFFFAOYSA-N 2 2 308.360 3.236 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404301655 1094254430 /nfs/dbraw/zinc/25/44/30/1094254430.db2.gz GKEBCBILODYOHM-RISCZKNCSA-N 2 2 311.813 3.198 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404301655 1094254436 /nfs/dbraw/zinc/25/44/36/1094254436.db2.gz GKEBCBILODYOHM-RISCZKNCSA-N 2 2 311.813 3.198 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCCC1(F)F ZINC001119928474 1094311575 /nfs/dbraw/zinc/31/15/75/1094311575.db2.gz LGSJYFJYBJPYBA-GFCCVEGCSA-N 2 2 320.343 3.340 20 0 DGADLP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001120031200 1094356218 /nfs/dbraw/zinc/35/62/18/1094356218.db2.gz ODVDJLSHULRTQZ-QQFBHYJXSA-N 2 2 310.482 3.103 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001336261433 1094606753 /nfs/dbraw/zinc/60/67/53/1094606753.db2.gz HAJFMNRZLSSDCI-PBHICJAKSA-N 2 2 306.425 3.092 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCCOCC2)CC1 ZINC001170840524 1094624342 /nfs/dbraw/zinc/62/43/42/1094624342.db2.gz NHTXEQGMAOTVLA-SFHVURJKSA-N 2 2 320.452 3.291 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCCOCC2)CC1 ZINC001170840524 1094624348 /nfs/dbraw/zinc/62/43/48/1094624348.db2.gz NHTXEQGMAOTVLA-SFHVURJKSA-N 2 2 320.452 3.291 20 0 DGADLP Cc1cccc2c(C[NH+]3CCC[C@]4(CCC[N@@H+](C)C4)C3)[nH]nc21 ZINC001276777669 1094673529 /nfs/dbraw/zinc/67/35/29/1094673529.db2.gz XPHRRCNPNKEOKY-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP Cc1cccc2c(C[NH+]3CCC[C@]4(CCC[N@H+](C)C4)C3)[nH]nc21 ZINC001276777669 1094673535 /nfs/dbraw/zinc/67/35/35/1094673535.db2.gz XPHRRCNPNKEOKY-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP Cc1cccc2c(C[N@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)[nH]nc21 ZINC001276777669 1094673541 /nfs/dbraw/zinc/67/35/41/1094673541.db2.gz XPHRRCNPNKEOKY-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP Cc1cccc2c(C[N@@H+]3CCC[C@]4(CCC[NH+](C)C4)C3)[nH]nc21 ZINC001276777669 1094673548 /nfs/dbraw/zinc/67/35/48/1094673548.db2.gz XPHRRCNPNKEOKY-IBGZPJMESA-N 2 2 312.461 3.179 20 0 DGADLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001218499099 1094824173 /nfs/dbraw/zinc/82/41/73/1094824173.db2.gz MLAGUNRPJUHTFL-HZPDHXFCSA-N 2 2 320.396 3.156 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)[nH+]c1C ZINC001337069308 1094841025 /nfs/dbraw/zinc/84/10/25/1094841025.db2.gz RIMXTAVFOVEYJC-GOEBONIOSA-N 2 2 312.417 3.150 20 0 DGADLP [NH3+]CCCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218812711 1094874054 /nfs/dbraw/zinc/87/40/54/1094874054.db2.gz XCTVEELVXPYDLV-UHFFFAOYSA-N 2 2 300.406 3.110 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170978046 1095070224 /nfs/dbraw/zinc/07/02/24/1095070224.db2.gz RZHRJZLEWCLCRQ-QZTJIDSGSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170978046 1095070240 /nfs/dbraw/zinc/07/02/40/1095070240.db2.gz RZHRJZLEWCLCRQ-QZTJIDSGSA-N 2 2 310.416 3.069 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000315069791 1095085056 /nfs/dbraw/zinc/08/50/56/1095085056.db2.gz RLVDIQRAWCRZEJ-LJQANCHMSA-N 3 2 303.494 3.001 20 0 DGADLP Nc1cc(NCc2ccccc2C[NH+]2CCCCCC2)[nH+]cn1 ZINC001337772637 1095089455 /nfs/dbraw/zinc/08/94/55/1095089455.db2.gz ZZZFFQNQMJSUOQ-UHFFFAOYSA-N 2 2 311.433 3.047 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056013 1095213010 /nfs/dbraw/zinc/21/30/10/1095213010.db2.gz JOSHNGFMCYXRPU-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056013 1095213020 /nfs/dbraw/zinc/21/30/20/1095213020.db2.gz JOSHNGFMCYXRPU-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056013 1095213029 /nfs/dbraw/zinc/21/30/29/1095213029.db2.gz JOSHNGFMCYXRPU-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056013 1095213042 /nfs/dbraw/zinc/21/30/42/1095213042.db2.gz JOSHNGFMCYXRPU-RKVPGOIHSA-N 2 2 304.865 3.223 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC001338309391 1095259896 /nfs/dbraw/zinc/25/98/96/1095259896.db2.gz NODMTAMHINQCIQ-UHFFFAOYSA-N 2 2 301.459 3.357 20 0 DGADLP FC(F)c1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001338311378 1095259974 /nfs/dbraw/zinc/25/99/74/1095259974.db2.gz XUJBLDWQONROBK-UHFFFAOYSA-N 2 2 324.415 3.357 20 0 DGADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073481 1095265334 /nfs/dbraw/zinc/26/53/34/1095265334.db2.gz FVLXHJOVKAEJPT-CYBMUJFWSA-N 2 2 324.255 3.417 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001143683532 1095343205 /nfs/dbraw/zinc/34/32/05/1095343205.db2.gz KVXHAASSRWVKRY-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001143683532 1095343226 /nfs/dbraw/zinc/34/32/26/1095343226.db2.gz KVXHAASSRWVKRY-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001143683532 1095343235 /nfs/dbraw/zinc/34/32/35/1095343235.db2.gz KVXHAASSRWVKRY-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3C(F)(F)F)C[C@@H]2C1 ZINC001143683532 1095343241 /nfs/dbraw/zinc/34/32/41/1095343241.db2.gz KVXHAASSRWVKRY-GASCZTMLSA-N 2 2 312.379 3.397 20 0 DGADLP Clc1ncccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160870 1095466878 /nfs/dbraw/zinc/46/68/78/1095466878.db2.gz JNTFKRCDKOWJAT-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ncccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222160870 1095466882 /nfs/dbraw/zinc/46/68/82/1095466882.db2.gz JNTFKRCDKOWJAT-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cnccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161402 1095467268 /nfs/dbraw/zinc/46/72/68/1095467268.db2.gz NQPYFEANMVUKHD-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cnccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161402 1095467274 /nfs/dbraw/zinc/46/72/74/1095467274.db2.gz NQPYFEANMVUKHD-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cnccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161403 1095467726 /nfs/dbraw/zinc/46/77/26/1095467726.db2.gz NQPYFEANMVUKHD-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cnccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161403 1095467730 /nfs/dbraw/zinc/46/77/30/1095467730.db2.gz NQPYFEANMVUKHD-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150601 1095470753 /nfs/dbraw/zinc/47/07/53/1095470753.db2.gz SUVZMJVKRXGFQA-ROUUACIJSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150601 1095470756 /nfs/dbraw/zinc/47/07/56/1095470756.db2.gz SUVZMJVKRXGFQA-ROUUACIJSA-N 2 2 322.880 3.324 20 0 DGADLP CCc1csc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222167685 1095473524 /nfs/dbraw/zinc/47/35/24/1095473524.db2.gz PCLJELWSXKNNKO-QGZVFWFLSA-N 2 2 307.507 3.451 20 0 DGADLP CCc1csc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222167685 1095473531 /nfs/dbraw/zinc/47/35/31/1095473531.db2.gz PCLJELWSXKNNKO-QGZVFWFLSA-N 2 2 307.507 3.451 20 0 DGADLP Oc1cc(F)cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171871 1095476495 /nfs/dbraw/zinc/47/64/95/1095476495.db2.gz GJHGWWRDUDUYLB-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP Oc1cc(F)cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222171871 1095476503 /nfs/dbraw/zinc/47/65/03/1095476503.db2.gz GJHGWWRDUDUYLB-SFHVURJKSA-N 2 2 306.425 3.277 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171133578 1095493013 /nfs/dbraw/zinc/49/30/13/1095493013.db2.gz NLKYXOZTMBZFLB-QGZVFWFLSA-N 2 2 303.837 3.416 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171133578 1095493020 /nfs/dbraw/zinc/49/30/20/1095493020.db2.gz NLKYXOZTMBZFLB-QGZVFWFLSA-N 2 2 303.837 3.416 20 0 DGADLP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222238120 1095505284 /nfs/dbraw/zinc/50/52/84/1095505284.db2.gz ZYYFDEKOHISYIZ-OAHLLOKOSA-N 2 2 314.351 3.303 20 0 DGADLP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222238120 1095505288 /nfs/dbraw/zinc/50/52/88/1095505288.db2.gz ZYYFDEKOHISYIZ-OAHLLOKOSA-N 2 2 314.351 3.303 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138242 1095507178 /nfs/dbraw/zinc/50/71/78/1095507178.db2.gz BPZFRFYJXROZLU-ZWNOBZJWSA-N 2 2 301.261 3.390 20 0 DGADLP CCOc1ccc2c(c1)C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC001116327605 1095517037 /nfs/dbraw/zinc/51/70/37/1095517037.db2.gz WPBLVZFQNRPQDN-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)C[N@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC001116327605 1095517046 /nfs/dbraw/zinc/51/70/46/1095517046.db2.gz WPBLVZFQNRPQDN-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC001116327605 1095517053 /nfs/dbraw/zinc/51/70/53/1095517053.db2.gz WPBLVZFQNRPQDN-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP CCOc1ccc2c(c1)C[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC001116327605 1095517061 /nfs/dbraw/zinc/51/70/61/1095517061.db2.gz WPBLVZFQNRPQDN-GOSISDBHSA-N 2 2 302.462 3.318 20 0 DGADLP Fc1cc2ncccc2cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271240 1095523513 /nfs/dbraw/zinc/52/35/13/1095523513.db2.gz DJFMGUFCWLOJSG-LJQANCHMSA-N 2 2 313.420 3.340 20 0 DGADLP Fc1cc2ncccc2cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271240 1095523526 /nfs/dbraw/zinc/52/35/26/1095523526.db2.gz DJFMGUFCWLOJSG-LJQANCHMSA-N 2 2 313.420 3.340 20 0 DGADLP Clc1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278002 1095524716 /nfs/dbraw/zinc/52/47/16/1095524716.db2.gz VLAXTLZRSCQMGR-KRWDZBQOSA-N 2 2 318.852 3.182 20 0 DGADLP Clc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278002 1095524726 /nfs/dbraw/zinc/52/47/26/1095524726.db2.gz VLAXTLZRSCQMGR-KRWDZBQOSA-N 2 2 318.852 3.182 20 0 DGADLP CCc1cc(C[N@H+](CC)CCn2cc[nH+]c2)cc(CC)c1O ZINC001144150654 1095539125 /nfs/dbraw/zinc/53/91/25/1095539125.db2.gz IWIVGCWFWMZWOI-UHFFFAOYSA-N 2 2 301.434 3.236 20 0 DGADLP CCc1cc(C[N@@H+](CC)CCn2cc[nH+]c2)cc(CC)c1O ZINC001144150654 1095539134 /nfs/dbraw/zinc/53/91/34/1095539134.db2.gz IWIVGCWFWMZWOI-UHFFFAOYSA-N 2 2 301.434 3.236 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)ccn1 ZINC001222356347 1095571446 /nfs/dbraw/zinc/57/14/46/1095571446.db2.gz ZQSRIYNGIVLCPX-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)ccn1 ZINC001222356347 1095571452 /nfs/dbraw/zinc/57/14/52/1095571452.db2.gz ZQSRIYNGIVLCPX-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP C[N@H+](Cc1ccc(O)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144264614 1095579082 /nfs/dbraw/zinc/57/90/82/1095579082.db2.gz YEORIVXORMFHGL-UHFFFAOYSA-N 2 2 303.450 3.016 20 0 DGADLP C[N@@H+](Cc1ccc(O)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144264614 1095579091 /nfs/dbraw/zinc/57/90/91/1095579091.db2.gz YEORIVXORMFHGL-UHFFFAOYSA-N 2 2 303.450 3.016 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc(N2CCCC2)c1 ZINC001222396263 1095592595 /nfs/dbraw/zinc/59/25/95/1095592595.db2.gz PVMYPNWATZLFFF-FQEVSTJZSA-N 2 2 313.489 3.395 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc(N2CCCC2)c1 ZINC001222396263 1095592603 /nfs/dbraw/zinc/59/26/03/1095592603.db2.gz PVMYPNWATZLFFF-FQEVSTJZSA-N 2 2 313.489 3.395 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)ccn1 ZINC001222428071 1095609321 /nfs/dbraw/zinc/60/93/21/1095609321.db2.gz YVLNSBBUFDOTNU-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)ccn1 ZINC001222428071 1095609325 /nfs/dbraw/zinc/60/93/25/1095609325.db2.gz YVLNSBBUFDOTNU-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222465226 1095627633 /nfs/dbraw/zinc/62/76/33/1095627633.db2.gz KFJLEQWTLIAOMA-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222465226 1095627639 /nfs/dbraw/zinc/62/76/39/1095627639.db2.gz KFJLEQWTLIAOMA-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP COc1ncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1F ZINC001144473022 1095680873 /nfs/dbraw/zinc/68/08/73/1095680873.db2.gz LNFNSTWWDYCRDQ-UHFFFAOYSA-N 2 2 321.440 3.068 20 0 DGADLP COc1ncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1F ZINC001144473022 1095680881 /nfs/dbraw/zinc/68/08/81/1095680881.db2.gz LNFNSTWWDYCRDQ-UHFFFAOYSA-N 2 2 321.440 3.068 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001340153481 1095887062 /nfs/dbraw/zinc/88/70/62/1095887062.db2.gz BJFQDXWDJXXGML-WBAXXEDZSA-N 2 2 324.428 3.122 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)c2)[nH+]c1C ZINC001340190860 1095901293 /nfs/dbraw/zinc/90/12/93/1095901293.db2.gz NHGVBRMHGZXAQN-OAHLLOKOSA-N 2 2 314.433 3.396 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)o1 ZINC001138178668 1095915453 /nfs/dbraw/zinc/91/54/53/1095915453.db2.gz QCKGLJWYNMCIMS-UHFFFAOYSA-N 2 2 307.482 3.434 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)o1 ZINC001138178668 1095915466 /nfs/dbraw/zinc/91/54/66/1095915466.db2.gz QCKGLJWYNMCIMS-UHFFFAOYSA-N 2 2 307.482 3.434 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)o3)C[C@@H]2C1 ZINC001138178326 1095915588 /nfs/dbraw/zinc/91/55/88/1095915588.db2.gz BQUVPIHQJGVJPF-CALCHBBNSA-N 2 2 317.477 3.044 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)o3)C[C@@H]2C1 ZINC001138178326 1095915601 /nfs/dbraw/zinc/91/56/01/1095915601.db2.gz BQUVPIHQJGVJPF-CALCHBBNSA-N 2 2 317.477 3.044 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)o3)C[C@@H]2C1 ZINC001138178326 1095915613 /nfs/dbraw/zinc/91/56/13/1095915613.db2.gz BQUVPIHQJGVJPF-CALCHBBNSA-N 2 2 317.477 3.044 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)o3)C[C@@H]2C1 ZINC001138178326 1095915626 /nfs/dbraw/zinc/91/56/26/1095915626.db2.gz BQUVPIHQJGVJPF-CALCHBBNSA-N 2 2 317.477 3.044 20 0 DGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001171259613 1095953964 /nfs/dbraw/zinc/95/39/64/1095953964.db2.gz XTEKVYYKEXXEIC-ROUUACIJSA-N 2 2 302.462 3.371 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001118411233 1096001330 /nfs/dbraw/zinc/00/13/30/1096001330.db2.gz XIJWGSWHUSQTBK-KRWDZBQOSA-N 2 2 314.408 3.373 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3nc(-c4ccccc4)c[nH]3)CC2)[nH]1 ZINC001118881424 1096097993 /nfs/dbraw/zinc/09/79/93/1096097993.db2.gz VTCZVZNTBSFRPM-UHFFFAOYSA-N 2 2 307.401 3.179 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC001171285660 1096106644 /nfs/dbraw/zinc/10/66/44/1096106644.db2.gz UFIKQVXAECOPEE-ZDUSSCGKSA-N 2 2 319.836 3.082 20 0 DGADLP Cc1cc([NH2+][C@H]2CCOC(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001119237228 1096142586 /nfs/dbraw/zinc/14/25/86/1096142586.db2.gz BAUBTQZHYGINAF-KRWDZBQOSA-N 2 2 317.477 3.116 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC001119691690 1096246681 /nfs/dbraw/zinc/24/66/81/1096246681.db2.gz OGMPLXJMNXKFGO-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC001119691690 1096246685 /nfs/dbraw/zinc/24/66/85/1096246685.db2.gz OGMPLXJMNXKFGO-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([NH+](C)C)CC1)CC2 ZINC001171318070 1096298520 /nfs/dbraw/zinc/29/85/20/1096298520.db2.gz XPAXIVFJVWINCH-AWEZNQCLSA-N 2 2 322.880 3.232 20 0 DGADLP COc1cc(N2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)cc[nH+]1 ZINC001277076298 1096541856 /nfs/dbraw/zinc/54/18/56/1096541856.db2.gz VUUQTTNENXFHAB-LJQANCHMSA-N 2 2 315.461 3.325 20 0 DGADLP COc1cc(N2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)cc[nH+]1 ZINC001277076298 1096541863 /nfs/dbraw/zinc/54/18/63/1096541863.db2.gz VUUQTTNENXFHAB-LJQANCHMSA-N 2 2 315.461 3.325 20 0 DGADLP CN(C)c1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001277097381 1096604680 /nfs/dbraw/zinc/60/46/80/1096604680.db2.gz QVTCEAHGWYNSCH-LJQANCHMSA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001277097381 1096604683 /nfs/dbraw/zinc/60/46/83/1096604683.db2.gz QVTCEAHGWYNSCH-LJQANCHMSA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001277097381 1096604685 /nfs/dbraw/zinc/60/46/85/1096604685.db2.gz QVTCEAHGWYNSCH-LJQANCHMSA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001277097381 1096604688 /nfs/dbraw/zinc/60/46/88/1096604688.db2.gz QVTCEAHGWYNSCH-LJQANCHMSA-N 2 2 319.468 3.200 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382692 1096628938 /nfs/dbraw/zinc/62/89/38/1096628938.db2.gz MPNJPTRXDFUNCX-OAHLLOKOSA-N 2 2 305.372 3.041 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382692 1096628941 /nfs/dbraw/zinc/62/89/41/1096628941.db2.gz MPNJPTRXDFUNCX-OAHLLOKOSA-N 2 2 305.372 3.041 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277127112 1096686238 /nfs/dbraw/zinc/68/62/38/1096686238.db2.gz AUJMISXBLJNBJK-GOSISDBHSA-N 2 2 306.425 3.060 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277127112 1096686241 /nfs/dbraw/zinc/68/62/41/1096686241.db2.gz AUJMISXBLJNBJK-GOSISDBHSA-N 2 2 306.425 3.060 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277127112 1096686247 /nfs/dbraw/zinc/68/62/47/1096686247.db2.gz AUJMISXBLJNBJK-GOSISDBHSA-N 2 2 306.425 3.060 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277127112 1096686250 /nfs/dbraw/zinc/68/62/50/1096686250.db2.gz AUJMISXBLJNBJK-GOSISDBHSA-N 2 2 306.425 3.060 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000426162232 1096727676 /nfs/dbraw/zinc/72/76/76/1096727676.db2.gz QHEYIHZDJKYTNT-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000426162232 1096727680 /nfs/dbraw/zinc/72/76/80/1096727680.db2.gz QHEYIHZDJKYTNT-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171494170 1096900256 /nfs/dbraw/zinc/90/02/56/1096900256.db2.gz QKNKSRARMYDQPY-ZFWWWQNUSA-N 2 2 317.383 3.358 20 0 DGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506443 1096913826 /nfs/dbraw/zinc/91/38/26/1096913826.db2.gz XPVIWKRSDVTCBB-STQMWFEESA-N 2 2 312.379 3.034 20 0 DGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171506443 1096913831 /nfs/dbraw/zinc/91/38/31/1096913831.db2.gz XPVIWKRSDVTCBB-STQMWFEESA-N 2 2 312.379 3.034 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001171521241 1096917677 /nfs/dbraw/zinc/91/76/77/1096917677.db2.gz RLJKMWBJWUDKLS-KBPBESRZSA-N 2 2 324.390 3.035 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001171521241 1096917681 /nfs/dbraw/zinc/91/76/81/1096917681.db2.gz RLJKMWBJWUDKLS-KBPBESRZSA-N 2 2 324.390 3.035 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC001171573721 1096927305 /nfs/dbraw/zinc/92/73/05/1096927305.db2.gz ULKGUGMSLIZJNQ-OAHLLOKOSA-N 2 2 310.482 3.105 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC001171573721 1096927311 /nfs/dbraw/zinc/92/73/11/1096927311.db2.gz ULKGUGMSLIZJNQ-OAHLLOKOSA-N 2 2 310.482 3.105 20 0 DGADLP Cc1cccn2cc(C[NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)nc12 ZINC001171623211 1096936774 /nfs/dbraw/zinc/93/67/74/1096936774.db2.gz OPPPESMYRKFXNS-UHFFFAOYSA-N 2 2 314.477 3.384 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972876 1097021817 /nfs/dbraw/zinc/02/18/17/1097021817.db2.gz TWZJTQYWCHJHBS-IBGZPJMESA-N 2 2 324.472 3.318 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171972876 1097021824 /nfs/dbraw/zinc/02/18/24/1097021824.db2.gz TWZJTQYWCHJHBS-IBGZPJMESA-N 2 2 324.472 3.318 20 0 DGADLP CC(C)(O)[C@H](F)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978001 1097025613 /nfs/dbraw/zinc/02/56/13/1097025613.db2.gz IIVRMWDXBDWAFE-IAGOWNOFSA-N 2 2 322.468 3.128 20 0 DGADLP CC(C)(O)[C@H](F)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978001 1097025617 /nfs/dbraw/zinc/02/56/17/1097025617.db2.gz IIVRMWDXBDWAFE-IAGOWNOFSA-N 2 2 322.468 3.128 20 0 DGADLP CC(=O)[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987579 1097030069 /nfs/dbraw/zinc/03/00/69/1097030069.db2.gz XWPNKVGCKSYOGN-RBUKOAKNSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987579 1097030073 /nfs/dbraw/zinc/03/00/73/1097030073.db2.gz XWPNKVGCKSYOGN-RBUKOAKNSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987579 1097030077 /nfs/dbraw/zinc/03/00/77/1097030077.db2.gz XWPNKVGCKSYOGN-RBUKOAKNSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987579 1097030082 /nfs/dbraw/zinc/03/00/82/1097030082.db2.gz XWPNKVGCKSYOGN-RBUKOAKNSA-N 2 2 314.473 3.341 20 0 DGADLP [NH3+]CCc1c[nH+]cn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069653 1097045470 /nfs/dbraw/zinc/04/54/70/1097045470.db2.gz WQIODCLQOJSPPB-OPVJXMOQSA-N 3 2 324.472 3.143 20 0 DGADLP [NH3+]CCc1c[nH+]cn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069653 1097045475 /nfs/dbraw/zinc/04/54/75/1097045475.db2.gz WQIODCLQOJSPPB-OPVJXMOQSA-N 3 2 324.472 3.143 20 0 DGADLP Cn1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172067961 1097046271 /nfs/dbraw/zinc/04/62/71/1097046271.db2.gz OQMMFXZTHWAWAE-VJDPLVQDSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172067961 1097046278 /nfs/dbraw/zinc/04/62/78/1097046278.db2.gz OQMMFXZTHWAWAE-VJDPLVQDSA-N 2 2 324.472 3.095 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131120 1097048684 /nfs/dbraw/zinc/04/86/84/1097048684.db2.gz VGZKENFSFYHVGX-OKYOBFRVSA-N 2 2 312.457 3.207 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131120 1097048690 /nfs/dbraw/zinc/04/86/90/1097048690.db2.gz VGZKENFSFYHVGX-OKYOBFRVSA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131120 1097048696 /nfs/dbraw/zinc/04/86/96/1097048696.db2.gz VGZKENFSFYHVGX-OKYOBFRVSA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](C(=O)c3ccccc3)C1)C2 ZINC001172131120 1097048699 /nfs/dbraw/zinc/04/86/99/1097048699.db2.gz VGZKENFSFYHVGX-OKYOBFRVSA-N 2 2 312.457 3.207 20 0 DGADLP COc1ccc(F)c(F)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107417 1097054784 /nfs/dbraw/zinc/05/47/84/1097054784.db2.gz XFCMTGFMGZCWCT-XYYAHUGASA-N 2 2 310.388 3.078 20 0 DGADLP COc1ccc(F)c(F)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107417 1097054787 /nfs/dbraw/zinc/05/47/87/1097054787.db2.gz XFCMTGFMGZCWCT-XYYAHUGASA-N 2 2 310.388 3.078 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172112867 1097059750 /nfs/dbraw/zinc/05/97/50/1097059750.db2.gz CRHWNZGWZCIEGT-GGPHIMKMSA-N 3 2 307.526 3.244 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112867 1097059759 /nfs/dbraw/zinc/05/97/59/1097059759.db2.gz CRHWNZGWZCIEGT-GGPHIMKMSA-N 3 2 307.526 3.244 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnn1)C2 ZINC001172113836 1097061018 /nfs/dbraw/zinc/06/10/18/1097061018.db2.gz NATJGLXKTKCQMB-GNBUJSLZSA-N 2 2 322.456 3.171 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnn1)C2 ZINC001172113836 1097061025 /nfs/dbraw/zinc/06/10/25/1097061025.db2.gz NATJGLXKTKCQMB-GNBUJSLZSA-N 2 2 322.456 3.171 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172116274 1097062073 /nfs/dbraw/zinc/06/20/73/1097062073.db2.gz ZTCNYWYRHWHOLP-VJDPLVQDSA-N 3 2 319.537 3.388 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001172116274 1097062080 /nfs/dbraw/zinc/06/20/80/1097062080.db2.gz ZTCNYWYRHWHOLP-VJDPLVQDSA-N 3 2 319.537 3.388 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120876 1097065381 /nfs/dbraw/zinc/06/53/81/1097065381.db2.gz GRMQLXUOAPQJHK-ZRNYENFQSA-N 3 2 319.537 3.342 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120876 1097065387 /nfs/dbraw/zinc/06/53/87/1097065387.db2.gz GRMQLXUOAPQJHK-ZRNYENFQSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120876 1097065394 /nfs/dbraw/zinc/06/53/94/1097065394.db2.gz GRMQLXUOAPQJHK-ZRNYENFQSA-N 3 2 319.537 3.342 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001172120876 1097065396 /nfs/dbraw/zinc/06/53/96/1097065396.db2.gz GRMQLXUOAPQJHK-ZRNYENFQSA-N 3 2 319.537 3.342 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206163848 1097093504 /nfs/dbraw/zinc/09/35/04/1097093504.db2.gz GRRCTUQTUGWUBC-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206163848 1097093499 /nfs/dbraw/zinc/09/34/99/1097093499.db2.gz GRRCTUQTUGWUBC-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP CCOCC[C@@H](C)[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001172406652 1097130661 /nfs/dbraw/zinc/13/06/61/1097130661.db2.gz OOFGNNKZWPBTRM-GOSISDBHSA-N 2 2 318.505 3.346 20 0 DGADLP COCC[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172560870 1097180130 /nfs/dbraw/zinc/18/01/30/1097180130.db2.gz MTDYAMABCXXQJQ-QUCCMNQESA-N 2 2 316.489 3.365 20 0 DGADLP COCC[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172560870 1097180133 /nfs/dbraw/zinc/18/01/33/1097180133.db2.gz MTDYAMABCXXQJQ-QUCCMNQESA-N 2 2 316.489 3.365 20 0 DGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637539 1097200595 /nfs/dbraw/zinc/20/05/95/1097200595.db2.gz RUBYTIKJUDRJTC-QAPCUYQASA-N 2 2 322.493 3.057 20 0 DGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172637539 1097200601 /nfs/dbraw/zinc/20/06/01/1097200601.db2.gz RUBYTIKJUDRJTC-QAPCUYQASA-N 2 2 322.493 3.057 20 0 DGADLP C([C@H]1C[N@@H+](C2CCC3(CCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001172731425 1097219859 /nfs/dbraw/zinc/21/98/59/1097219859.db2.gz ZJOBFDMGYPCZCL-SFHVURJKSA-N 2 2 306.494 3.286 20 0 DGADLP C([C@H]1C[N@H+](C2CCC3(CCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001172731425 1097219865 /nfs/dbraw/zinc/21/98/65/1097219865.db2.gz ZJOBFDMGYPCZCL-SFHVURJKSA-N 2 2 306.494 3.286 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1CC[NH3+] ZINC001173082277 1097326574 /nfs/dbraw/zinc/32/65/74/1097326574.db2.gz KPJMZCJDQKJYRG-LLVKDONJSA-N 2 2 313.323 3.087 20 0 DGADLP CC[NH+](CC)C1CCC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001173111217 1097333355 /nfs/dbraw/zinc/33/33/55/1097333355.db2.gz ZZPPMBSEJGRRHN-MHJFOBGBSA-N 3 2 315.505 3.025 20 0 DGADLP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001173111217 1097333360 /nfs/dbraw/zinc/33/33/60/1097333360.db2.gz ZZPPMBSEJGRRHN-MHJFOBGBSA-N 3 2 315.505 3.025 20 0 DGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3ncsc3C2)c1 ZINC001173131270 1097338214 /nfs/dbraw/zinc/33/82/14/1097338214.db2.gz JKQVTICCGUAQKK-CQSZACIVSA-N 2 2 310.426 3.195 20 0 DGADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198016 1097359578 /nfs/dbraw/zinc/35/95/78/1097359578.db2.gz MUEOEHBLMWQIGS-LRYGQEGESA-N 2 2 302.462 3.451 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001173170700 1097365565 /nfs/dbraw/zinc/36/55/65/1097365565.db2.gz HYHJQTQYWRMLOM-UDCIBNOJSA-N 2 2 320.521 3.290 20 0 DGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)cc1 ZINC001173240512 1097396099 /nfs/dbraw/zinc/39/60/99/1097396099.db2.gz HVGOPIIHHMHIAV-LPHOPBHVSA-N 2 2 316.489 3.023 20 0 DGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)cc1 ZINC001173240512 1097396101 /nfs/dbraw/zinc/39/61/01/1097396101.db2.gz HVGOPIIHHMHIAV-LPHOPBHVSA-N 2 2 316.489 3.023 20 0 DGADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001173302054 1097403846 /nfs/dbraw/zinc/40/38/46/1097403846.db2.gz NUYMZYJWUYEJMR-SZMVWBNQSA-N 2 2 322.518 3.007 20 0 DGADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001173302054 1097403850 /nfs/dbraw/zinc/40/38/50/1097403850.db2.gz NUYMZYJWUYEJMR-SZMVWBNQSA-N 2 2 322.518 3.007 20 0 DGADLP CCSC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001173290529 1097415746 /nfs/dbraw/zinc/41/57/46/1097415746.db2.gz GVRFZWYARNPQNP-MFKMUULPSA-N 2 2 317.296 3.180 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001231445463 1097751892 /nfs/dbraw/zinc/75/18/92/1097751892.db2.gz XMRCXXXJATVVPU-TZIWHRDSSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)ccc2c1 ZINC001231445463 1097751895 /nfs/dbraw/zinc/75/18/95/1097751895.db2.gz XMRCXXXJATVVPU-TZIWHRDSSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)ccc2c1 ZINC001231445463 1097751899 /nfs/dbraw/zinc/75/18/99/1097751899.db2.gz XMRCXXXJATVVPU-TZIWHRDSSA-N 2 2 323.484 3.432 20 0 DGADLP CN(C)c1ccc2cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)ccc2c1 ZINC001231445463 1097751902 /nfs/dbraw/zinc/75/19/02/1097751902.db2.gz XMRCXXXJATVVPU-TZIWHRDSSA-N 2 2 323.484 3.432 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c(C)c2F)CC1 ZINC001231479273 1097757472 /nfs/dbraw/zinc/75/74/72/1097757472.db2.gz NZKBJWHUOZCDQR-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP CN(C)c1ccc([N@@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)cc1 ZINC001174877989 1097875912 /nfs/dbraw/zinc/87/59/12/1097875912.db2.gz ZBKOMSDNTBIDCT-UHFFFAOYSA-N 2 2 322.387 3.411 20 0 DGADLP CN(C)c1ccc([N@H+]2C=C(N)C(=[NH2+])C(c3cccc(F)c3)=C2)cc1 ZINC001174877989 1097875919 /nfs/dbraw/zinc/87/59/19/1097875919.db2.gz ZBKOMSDNTBIDCT-UHFFFAOYSA-N 2 2 322.387 3.411 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cnc1F ZINC001231927667 1097895417 /nfs/dbraw/zinc/89/54/17/1097895417.db2.gz WMHRRQLNWIRFGC-QGZVFWFLSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cnc1F ZINC001231927667 1097895422 /nfs/dbraw/zinc/89/54/22/1097895422.db2.gz WMHRRQLNWIRFGC-QGZVFWFLSA-N 2 2 305.441 3.370 20 0 DGADLP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232014932 1097918215 /nfs/dbraw/zinc/91/82/15/1097918215.db2.gz YSRQMBMHOMJQHW-SFHVURJKSA-N 3 2 312.461 3.403 20 0 DGADLP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232014932 1097918219 /nfs/dbraw/zinc/91/82/19/1097918219.db2.gz YSRQMBMHOMJQHW-SFHVURJKSA-N 3 2 312.461 3.403 20 0 DGADLP c1c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232017790 1097920087 /nfs/dbraw/zinc/92/00/87/1097920087.db2.gz XPTWETYCSDIUFD-SFHVURJKSA-N 2 2 307.397 3.006 20 0 DGADLP Cc1sc(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC001232289986 1097994386 /nfs/dbraw/zinc/99/43/86/1097994386.db2.gz LTLSMGQRRWGHHN-UHFFFAOYSA-N 2 2 305.285 3.203 20 0 DGADLP Cc1sc(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC001232289986 1097994393 /nfs/dbraw/zinc/99/43/93/1097994393.db2.gz LTLSMGQRRWGHHN-UHFFFAOYSA-N 2 2 305.285 3.203 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccn3Cc3ccccc3)C[C@@H]2C1 ZINC001232234680 1097977473 /nfs/dbraw/zinc/97/74/73/1097977473.db2.gz CRXJGBNKFNKRJQ-PMACEKPBSA-N 2 2 323.484 3.310 20 0 DGADLP c1cc(Nc2ccc(N3CCCC3)[nH+]c2)cc(N2CCCC2)[nH+]1 ZINC001175347509 1098002693 /nfs/dbraw/zinc/00/26/93/1098002693.db2.gz MRIFNXDBQZNBTG-UHFFFAOYSA-N 2 2 309.417 3.421 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232331567 1098007481 /nfs/dbraw/zinc/00/74/81/1098007481.db2.gz UFHWZHIXRPPCFE-OAHLLOKOSA-N 2 2 315.442 3.160 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232331567 1098007484 /nfs/dbraw/zinc/00/74/84/1098007484.db2.gz UFHWZHIXRPPCFE-OAHLLOKOSA-N 2 2 315.442 3.160 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001232384834 1098019350 /nfs/dbraw/zinc/01/93/50/1098019350.db2.gz YIKOIHWLFMVSGF-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001232384834 1098019355 /nfs/dbraw/zinc/01/93/55/1098019355.db2.gz YIKOIHWLFMVSGF-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccnc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232584038 1098083845 /nfs/dbraw/zinc/08/38/45/1098083845.db2.gz URCYDETZFRMKPL-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1ccnc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232584038 1098083849 /nfs/dbraw/zinc/08/38/49/1098083849.db2.gz URCYDETZFRMKPL-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175643767 1098113298 /nfs/dbraw/zinc/11/32/98/1098113298.db2.gz GJRUQBLTVMGKKB-HZPDHXFCSA-N 2 2 322.497 3.043 20 0 DGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175643767 1098113303 /nfs/dbraw/zinc/11/33/03/1098113303.db2.gz GJRUQBLTVMGKKB-HZPDHXFCSA-N 2 2 322.497 3.043 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C[C@@H]2C1 ZINC001232734768 1098122085 /nfs/dbraw/zinc/12/20/85/1098122085.db2.gz YMKUUARZLXFHTF-KBPBESRZSA-N 2 2 303.837 3.205 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)c2ccccc2)c[nH+]1 ZINC001175669112 1098131875 /nfs/dbraw/zinc/13/18/75/1098131875.db2.gz KTZHITPRDIPVNJ-LJQANCHMSA-N 2 2 317.396 3.291 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)(C)O)nc2)CC1 ZINC001232833584 1098148075 /nfs/dbraw/zinc/14/80/75/1098148075.db2.gz LYYHCSHVPIBPTP-UHFFFAOYSA-N 2 2 319.493 3.005 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)(C)O)nc2)CC1 ZINC001232833584 1098148079 /nfs/dbraw/zinc/14/80/79/1098148079.db2.gz LYYHCSHVPIBPTP-UHFFFAOYSA-N 2 2 319.493 3.005 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3ncoc3c2)C1 ZINC001232945908 1098178764 /nfs/dbraw/zinc/17/87/64/1098178764.db2.gz PKJQKBAWXDKZHP-HNNXBMFYSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3ncoc3c2)C1 ZINC001232945908 1098178768 /nfs/dbraw/zinc/17/87/68/1098178768.db2.gz PKJQKBAWXDKZHP-HNNXBMFYSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1ncc(F)cc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001232990501 1098194874 /nfs/dbraw/zinc/19/48/74/1098194874.db2.gz DNQUIRDUFHMQEP-ZWKOTPCHSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1ncc(F)cc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001232990501 1098194879 /nfs/dbraw/zinc/19/48/79/1098194879.db2.gz DNQUIRDUFHMQEP-ZWKOTPCHSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1ncc(F)cc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001232990501 1098194881 /nfs/dbraw/zinc/19/48/81/1098194881.db2.gz DNQUIRDUFHMQEP-ZWKOTPCHSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1ncc(F)cc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001232990501 1098194883 /nfs/dbraw/zinc/19/48/83/1098194883.db2.gz DNQUIRDUFHMQEP-ZWKOTPCHSA-N 2 2 305.441 3.368 20 0 DGADLP CC[N@H+](Cc1ccc(O)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001233227538 1098257360 /nfs/dbraw/zinc/25/73/60/1098257360.db2.gz QINZUOFYVMDELK-UHFFFAOYSA-N 2 2 318.461 3.097 20 0 DGADLP CC[N@@H+](Cc1ccc(O)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001233227538 1098257369 /nfs/dbraw/zinc/25/73/69/1098257369.db2.gz QINZUOFYVMDELK-UHFFFAOYSA-N 2 2 318.461 3.097 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3cccc4cc[nH+]cc43)cn2)CC1 ZINC001176656702 1098410095 /nfs/dbraw/zinc/41/00/95/1098410095.db2.gz YLSMMMMWCVYYTC-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP COc1ccccc1CCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176976720 1098458816 /nfs/dbraw/zinc/45/88/16/1098458816.db2.gz FZMGVUBGOYMQAT-UHFFFAOYSA-N 2 2 313.445 3.241 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001177061291 1098469459 /nfs/dbraw/zinc/46/94/59/1098469459.db2.gz KQGNZDCYDKDCQB-AZUAARDMSA-N 2 2 318.505 3.202 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001177061291 1098469460 /nfs/dbraw/zinc/46/94/60/1098469460.db2.gz KQGNZDCYDKDCQB-AZUAARDMSA-N 2 2 318.505 3.202 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001177061296 1098469481 /nfs/dbraw/zinc/46/94/81/1098469481.db2.gz KQGNZDCYDKDCQB-UYAOXDASSA-N 2 2 318.505 3.202 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001177061296 1098469483 /nfs/dbraw/zinc/46/94/83/1098469483.db2.gz KQGNZDCYDKDCQB-UYAOXDASSA-N 2 2 318.505 3.202 20 0 DGADLP CCOc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)n1 ZINC001177066282 1098470229 /nfs/dbraw/zinc/47/02/29/1098470229.db2.gz QKLITVHXVSCQBG-UHFFFAOYSA-N 2 2 305.466 3.225 20 0 DGADLP CCOc1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)n1 ZINC001177066282 1098470231 /nfs/dbraw/zinc/47/02/31/1098470231.db2.gz QKLITVHXVSCQBG-UHFFFAOYSA-N 2 2 305.466 3.225 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](F)CC2)ccc1-n1cc[nH+]c1 ZINC001234032405 1098481018 /nfs/dbraw/zinc/48/10/18/1098481018.db2.gz HZLKZDFBQAUDKO-HNNXBMFYSA-N 2 2 303.381 3.205 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](F)CC2)ccc1-n1cc[nH+]c1 ZINC001234032405 1098481022 /nfs/dbraw/zinc/48/10/22/1098481022.db2.gz HZLKZDFBQAUDKO-HNNXBMFYSA-N 2 2 303.381 3.205 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203353850 1098507329 /nfs/dbraw/zinc/50/73/29/1098507329.db2.gz OORVTXWXYCMVMR-OALUTQOASA-N 2 2 310.416 3.390 20 0 DGADLP c1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)cc(C[NH+]2CCOCC2)c1 ZINC001177323291 1098517142 /nfs/dbraw/zinc/51/71/42/1098517142.db2.gz MFURMFGVIZIJOZ-XEMDLRDOSA-N 2 2 314.473 3.187 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893899 1098667682 /nfs/dbraw/zinc/66/76/82/1098667682.db2.gz RLHPYZYNQKEWRX-ROJDOSBLSA-N 2 2 317.477 3.413 20 0 DGADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Oc1ccccc1 ZINC001234977875 1098731420 /nfs/dbraw/zinc/73/14/20/1098731420.db2.gz CJRBBGOMAZSPQA-IYBDPMFKSA-N 2 2 312.388 3.269 20 0 DGADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Oc1ccccc1 ZINC001234977875 1098731425 /nfs/dbraw/zinc/73/14/25/1098731425.db2.gz CJRBBGOMAZSPQA-IYBDPMFKSA-N 2 2 312.388 3.269 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992871 1098738313 /nfs/dbraw/zinc/73/83/13/1098738313.db2.gz MVWLWQVAXWYJHY-IBGZPJMESA-N 2 2 313.420 3.192 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992871 1098738324 /nfs/dbraw/zinc/73/83/24/1098738324.db2.gz MVWLWQVAXWYJHY-IBGZPJMESA-N 2 2 313.420 3.192 20 0 DGADLP CCCCc1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001235006315 1098746460 /nfs/dbraw/zinc/74/64/60/1098746460.db2.gz HERPYEJIFBHUIY-SFHVURJKSA-N 2 2 322.518 3.293 20 0 DGADLP CCCCc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001235006315 1098746468 /nfs/dbraw/zinc/74/64/68/1098746468.db2.gz HERPYEJIFBHUIY-SFHVURJKSA-N 2 2 322.518 3.293 20 0 DGADLP CCSc1ccccc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235014506 1098750602 /nfs/dbraw/zinc/75/06/02/1098750602.db2.gz HIEKIPMTQCGELT-GOSISDBHSA-N 2 2 320.502 3.001 20 0 DGADLP CCSc1ccccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235014506 1098750611 /nfs/dbraw/zinc/75/06/11/1098750611.db2.gz HIEKIPMTQCGELT-GOSISDBHSA-N 2 2 320.502 3.001 20 0 DGADLP Clc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)n2)cc1 ZINC001235032521 1098761499 /nfs/dbraw/zinc/76/14/99/1098761499.db2.gz QKHSOWUDHFRVFP-WMLDXEAASA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)n2)cc1 ZINC001235032521 1098761508 /nfs/dbraw/zinc/76/15/08/1098761508.db2.gz QKHSOWUDHFRVFP-WMLDXEAASA-N 2 2 313.832 3.196 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cncs2)c(C)c1 ZINC001178276147 1098773144 /nfs/dbraw/zinc/77/31/44/1098773144.db2.gz CFISQDLHFKMUSZ-QGZVFWFLSA-N 2 2 312.442 3.488 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115289 1098814422 /nfs/dbraw/zinc/81/44/22/1098814422.db2.gz PYMPNALIAHJJFU-UTKZUKDTSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1)c1cccc2ccccc21 ZINC001235115289 1098814436 /nfs/dbraw/zinc/81/44/36/1098814436.db2.gz PYMPNALIAHJJFU-UTKZUKDTSA-N 2 2 324.468 3.398 20 0 DGADLP Cc1c2ccccc2sc1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235117269 1098818889 /nfs/dbraw/zinc/81/88/89/1098818889.db2.gz ZSWXKTMILMMZSK-GOSISDBHSA-N 2 2 316.470 3.164 20 0 DGADLP Cn1c2ccccc2c(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1-c1ccccc1 ZINC001235147037 1098835565 /nfs/dbraw/zinc/83/55/65/1098835565.db2.gz PMVVCGLWXCZBAF-KKSFZXQISA-N 2 2 317.436 3.378 20 0 DGADLP Cn1c2ccccc2c(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1-c1ccccc1 ZINC001235147037 1098835576 /nfs/dbraw/zinc/83/55/76/1098835576.db2.gz PMVVCGLWXCZBAF-KKSFZXQISA-N 2 2 317.436 3.378 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc3cc(Br)ccc3c1)C2 ZINC001235145102 1098835998 /nfs/dbraw/zinc/83/59/98/1098835998.db2.gz BQJFHGDBFVJSBA-HOCLYGCPSA-N 2 2 317.230 3.135 20 0 DGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc3cc(Br)ccc3c1)C2 ZINC001235145102 1098836007 /nfs/dbraw/zinc/83/60/07/1098836007.db2.gz BQJFHGDBFVJSBA-HOCLYGCPSA-N 2 2 317.230 3.135 20 0 DGADLP CCc1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC001178458109 1098838830 /nfs/dbraw/zinc/83/88/30/1098838830.db2.gz PVCZZXRALOSUCB-KBPBESRZSA-N 2 2 307.507 3.448 20 0 DGADLP CCc1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC001178458109 1098838839 /nfs/dbraw/zinc/83/88/39/1098838839.db2.gz PVCZZXRALOSUCB-KBPBESRZSA-N 2 2 307.507 3.448 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235173926 1098855520 /nfs/dbraw/zinc/85/55/20/1098855520.db2.gz RTBQMYADARSSRV-QGZVFWFLSA-N 2 2 310.388 3.396 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235173926 1098855523 /nfs/dbraw/zinc/85/55/23/1098855523.db2.gz RTBQMYADARSSRV-QGZVFWFLSA-N 2 2 310.388 3.396 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235175407 1098856204 /nfs/dbraw/zinc/85/62/04/1098856204.db2.gz RTNGSJYEHOQVCC-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235175407 1098856216 /nfs/dbraw/zinc/85/62/16/1098856216.db2.gz RTNGSJYEHOQVCC-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP c1nc2cccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2s1 ZINC001235181098 1098860906 /nfs/dbraw/zinc/86/09/06/1098860906.db2.gz XYSMXRKYDCGELF-KRWDZBQOSA-N 2 2 301.459 3.404 20 0 DGADLP c1nc2cccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2s1 ZINC001235181098 1098860912 /nfs/dbraw/zinc/86/09/12/1098860912.db2.gz XYSMXRKYDCGELF-KRWDZBQOSA-N 2 2 301.459 3.404 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209191 1098878861 /nfs/dbraw/zinc/87/88/61/1098878861.db2.gz INKLPLUCDSVYMH-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209191 1098878872 /nfs/dbraw/zinc/87/88/72/1098878872.db2.gz INKLPLUCDSVYMH-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP COc1ccc2sc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2c1 ZINC001235247988 1098919603 /nfs/dbraw/zinc/91/96/03/1098919603.db2.gz JZJVTMANPFRTME-CXAGYDPISA-N 2 2 302.443 3.223 20 0 DGADLP COc1ccc2sc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2c1 ZINC001235247988 1098919613 /nfs/dbraw/zinc/91/96/13/1098919613.db2.gz JZJVTMANPFRTME-CXAGYDPISA-N 2 2 302.443 3.223 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248187 1098921016 /nfs/dbraw/zinc/92/10/16/1098921016.db2.gz PCDIIZLRZCJBKI-UYAOXDASSA-N 2 2 307.441 3.370 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248187 1098921020 /nfs/dbraw/zinc/92/10/20/1098921020.db2.gz PCDIIZLRZCJBKI-UYAOXDASSA-N 2 2 307.441 3.370 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc(C)n1 ZINC001235251701 1098925828 /nfs/dbraw/zinc/92/58/28/1098925828.db2.gz WBKOKOSDPFHGDT-NHCUHLMSSA-N 2 2 321.468 3.420 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc(C)n1 ZINC001235251701 1098925840 /nfs/dbraw/zinc/92/58/40/1098925840.db2.gz WBKOKOSDPFHGDT-NHCUHLMSSA-N 2 2 321.468 3.420 20 0 DGADLP Fc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)c(F)c1 ZINC001235260097 1098931316 /nfs/dbraw/zinc/93/13/16/1098931316.db2.gz NCPXGZOHSWYRJR-HNAYVOBHSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)c(F)c1 ZINC001235260097 1098931321 /nfs/dbraw/zinc/93/13/21/1098931321.db2.gz NCPXGZOHSWYRJR-HNAYVOBHSA-N 2 2 314.379 3.426 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235270836 1098939945 /nfs/dbraw/zinc/93/99/45/1098939945.db2.gz NMOGZJDXHZSBHX-BBRMVZONSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235270836 1098939955 /nfs/dbraw/zinc/93/99/55/1098939955.db2.gz NMOGZJDXHZSBHX-BBRMVZONSA-N 2 2 323.278 3.250 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1F ZINC001235400134 1098995081 /nfs/dbraw/zinc/99/50/81/1098995081.db2.gz HFQXRJIUXIBHHP-ZWKOTPCHSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1F ZINC001235400134 1098995086 /nfs/dbraw/zinc/99/50/86/1098995086.db2.gz HFQXRJIUXIBHHP-ZWKOTPCHSA-N 2 2 324.415 3.136 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399362 1098995594 /nfs/dbraw/zinc/99/55/94/1098995594.db2.gz ANEUAKGUTRZAFP-RDJZCZTQSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399362 1098995596 /nfs/dbraw/zinc/99/55/96/1098995596.db2.gz ANEUAKGUTRZAFP-RDJZCZTQSA-N 2 2 321.827 3.345 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001179044336 1099000937 /nfs/dbraw/zinc/00/09/37/1099000937.db2.gz AZQCCQVPLHUTQC-ZWKOTPCHSA-N 2 2 306.425 3.331 20 0 DGADLP CCOc1cc(F)cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001179044336 1099000948 /nfs/dbraw/zinc/00/09/48/1099000948.db2.gz AZQCCQVPLHUTQC-ZWKOTPCHSA-N 2 2 306.425 3.331 20 0 DGADLP Fc1ccc2occ(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)c2c1 ZINC001235409323 1099005593 /nfs/dbraw/zinc/00/55/93/1099005593.db2.gz WHUPYXJHNGIPAM-SJORKVTESA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occ(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)c2c1 ZINC001235409323 1099005604 /nfs/dbraw/zinc/00/56/04/1099005604.db2.gz WHUPYXJHNGIPAM-SJORKVTESA-N 2 2 306.356 3.095 20 0 DGADLP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(F)cc1Br ZINC001235467206 1099050806 /nfs/dbraw/zinc/05/08/06/1099050806.db2.gz WJURFZWDPOGXTB-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)c(F)cc1Br ZINC001235467206 1099050816 /nfs/dbraw/zinc/05/08/16/1099050816.db2.gz WJURFZWDPOGXTB-UHFFFAOYSA-N 2 2 315.230 3.080 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@@H+](C[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529877 1099078305 /nfs/dbraw/zinc/07/83/05/1099078305.db2.gz CLHJYUVVCMHNOA-UFYCRDLUSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](C[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529877 1099078319 /nfs/dbraw/zinc/07/83/19/1099078319.db2.gz CLHJYUVVCMHNOA-UFYCRDLUSA-N 2 2 314.473 3.167 20 0 DGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402580 1099082777 /nfs/dbraw/zinc/08/27/77/1099082777.db2.gz VTSIQCPFBUIJRM-NXHRZFHOSA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402580 1099082789 /nfs/dbraw/zinc/08/27/89/1099082789.db2.gz VTSIQCPFBUIJRM-NXHRZFHOSA-N 2 2 304.478 3.179 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620094 1099100564 /nfs/dbraw/zinc/10/05/64/1099100564.db2.gz BVEYXJKETANGII-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620094 1099100567 /nfs/dbraw/zinc/10/05/67/1099100567.db2.gz BVEYXJKETANGII-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620094 1099100568 /nfs/dbraw/zinc/10/05/68/1099100568.db2.gz BVEYXJKETANGII-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-c3ccncc3)C[C@H]21 ZINC001235620094 1099100570 /nfs/dbraw/zinc/10/05/70/1099100570.db2.gz BVEYXJKETANGII-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP CC[C@H]([NH3+])C[NH+]1CCC(Oc2ccc(C(F)(F)F)cc2)CC1 ZINC001235673331 1099116072 /nfs/dbraw/zinc/11/60/72/1099116072.db2.gz CWPYEEOKZANWHX-ZDUSSCGKSA-N 2 2 316.367 3.286 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001235675011 1099118738 /nfs/dbraw/zinc/11/87/38/1099118738.db2.gz HGHYBEBKNKCXHA-GFCCVEGCSA-N 2 2 316.367 3.275 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001235675011 1099118745 /nfs/dbraw/zinc/11/87/45/1099118745.db2.gz HGHYBEBKNKCXHA-GFCCVEGCSA-N 2 2 316.367 3.275 20 0 DGADLP Cc1ccc(O[C@H]2CCC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001235686748 1099128265 /nfs/dbraw/zinc/12/82/65/1099128265.db2.gz BSFRYYVWCYEFCQ-CTNGQTDRSA-N 2 2 324.468 3.408 20 0 DGADLP Cc1ccc(O[C@H]2CCC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001235686748 1099128268 /nfs/dbraw/zinc/12/82/68/1099128268.db2.gz BSFRYYVWCYEFCQ-CTNGQTDRSA-N 2 2 324.468 3.408 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686767 1099128366 /nfs/dbraw/zinc/12/83/66/1099128366.db2.gz BWBMJLJHIPWJKW-DZGCQCFKSA-N 2 2 316.367 3.286 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686767 1099128370 /nfs/dbraw/zinc/12/83/70/1099128370.db2.gz BWBMJLJHIPWJKW-DZGCQCFKSA-N 2 2 316.367 3.286 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001235712078 1099141360 /nfs/dbraw/zinc/14/13/60/1099141360.db2.gz YOFNARCJJYFASX-IEBWSBKVSA-N 2 2 310.441 3.402 20 0 DGADLP COc1ccccc1[C@H]1CCC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001235712078 1099141366 /nfs/dbraw/zinc/14/13/66/1099141366.db2.gz YOFNARCJJYFASX-IEBWSBKVSA-N 2 2 310.441 3.402 20 0 DGADLP Cc1ccc(-c2cncc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235714605 1099142026 /nfs/dbraw/zinc/14/20/26/1099142026.db2.gz ZCHFWASKROXCPX-UHFFFAOYSA-N 2 2 307.441 3.242 20 0 DGADLP Cc1ccc(-c2cncc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235714605 1099142030 /nfs/dbraw/zinc/14/20/30/1099142030.db2.gz ZCHFWASKROXCPX-UHFFFAOYSA-N 2 2 307.441 3.242 20 0 DGADLP COc1ccc([C@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235726146 1099148840 /nfs/dbraw/zinc/14/88/40/1099148840.db2.gz NCZWZPFUMRAKET-FUHWJXTLSA-N 2 2 320.502 3.317 20 0 DGADLP COc1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235726146 1099148845 /nfs/dbraw/zinc/14/88/45/1099148845.db2.gz NCZWZPFUMRAKET-FUHWJXTLSA-N 2 2 320.502 3.317 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3C[NH3+])c2)cc1 ZINC001235726681 1099149035 /nfs/dbraw/zinc/14/90/35/1099149035.db2.gz VRVBWSNEISUUKA-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[C@H]3C[NH3+])c2)cc1 ZINC001235726681 1099149041 /nfs/dbraw/zinc/14/90/41/1099149041.db2.gz VRVBWSNEISUUKA-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001235804951 1099187231 /nfs/dbraw/zinc/18/72/31/1099187231.db2.gz FMUHAFZWPUWBTJ-MRXNPFEDSA-N 2 2 316.376 3.273 20 0 DGADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC001235804951 1099187237 /nfs/dbraw/zinc/18/72/37/1099187237.db2.gz FMUHAFZWPUWBTJ-MRXNPFEDSA-N 2 2 316.376 3.273 20 0 DGADLP COCCC[N@H+](Cc1ccc(C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001235804537 1099187272 /nfs/dbraw/zinc/18/72/72/1099187272.db2.gz FEIZJJKMZSMITF-INIZCTEOSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001235804537 1099187276 /nfs/dbraw/zinc/18/72/76/1099187276.db2.gz FEIZJJKMZSMITF-INIZCTEOSA-N 2 2 310.869 3.239 20 0 DGADLP CCCc1ccc(C[N@H+](CCCOC)[C@H]2CCC[NH2+]C2)s1 ZINC001235804611 1099187884 /nfs/dbraw/zinc/18/78/84/1099187884.db2.gz AJVDXSJADXBMQP-HNNXBMFYSA-N 2 2 310.507 3.291 20 0 DGADLP CCCc1ccc(C[N@@H+](CCCOC)[C@H]2CCC[NH2+]C2)s1 ZINC001235804611 1099187888 /nfs/dbraw/zinc/18/78/88/1099187888.db2.gz AJVDXSJADXBMQP-HNNXBMFYSA-N 2 2 310.507 3.291 20 0 DGADLP COCCC[N@H+](Cc1cccc(C(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235811668 1099190851 /nfs/dbraw/zinc/19/08/51/1099190851.db2.gz WSRKOMMIDUFPQR-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@@H+](Cc1cccc(C(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001235811668 1099190855 /nfs/dbraw/zinc/19/08/55/1099190855.db2.gz WSRKOMMIDUFPQR-LJQANCHMSA-N 2 2 304.478 3.401 20 0 DGADLP Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000069747527 1099192265 /nfs/dbraw/zinc/19/22/65/1099192265.db2.gz OUDSYOJMCDOTSH-UHFFFAOYSA-N 2 2 310.441 3.117 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)CO1 ZINC001235826765 1099196670 /nfs/dbraw/zinc/19/66/70/1099196670.db2.gz BOQAVYSUTQSRJQ-KGLIPLIRSA-N 2 2 308.853 3.244 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@@H](c3ccccc3Cl)C2)CO1 ZINC001235826765 1099196675 /nfs/dbraw/zinc/19/66/75/1099196675.db2.gz BOQAVYSUTQSRJQ-KGLIPLIRSA-N 2 2 308.853 3.244 20 0 DGADLP Brc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881433 1099231557 /nfs/dbraw/zinc/23/15/57/1099231557.db2.gz FQACOAXDNHMCHC-ZBFHGGJFSA-N 2 2 323.278 3.381 20 0 DGADLP Brc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881433 1099231565 /nfs/dbraw/zinc/23/15/65/1099231565.db2.gz FQACOAXDNHMCHC-ZBFHGGJFSA-N 2 2 323.278 3.381 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)c2c1 ZINC001235892107 1099237111 /nfs/dbraw/zinc/23/71/11/1099237111.db2.gz KXXWSJMTTODEKF-HIFRSBDPSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)c2c1 ZINC001235892107 1099237118 /nfs/dbraw/zinc/23/71/18/1099237118.db2.gz KXXWSJMTTODEKF-HIFRSBDPSA-N 2 2 314.429 3.169 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Br ZINC001235924971 1099260805 /nfs/dbraw/zinc/26/08/05/1099260805.db2.gz DEEIMUHOLAIGFB-LBPRGKRZSA-N 2 2 317.658 3.416 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Br ZINC001235924971 1099260816 /nfs/dbraw/zinc/26/08/16/1099260816.db2.gz DEEIMUHOLAIGFB-LBPRGKRZSA-N 2 2 317.658 3.416 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2c1 ZINC001235930984 1099266725 /nfs/dbraw/zinc/26/67/25/1099266725.db2.gz YYWMEWFWLYSBRR-BBRMVZONSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2c1 ZINC001235930984 1099266734 /nfs/dbraw/zinc/26/67/34/1099266734.db2.gz YYWMEWFWLYSBRR-BBRMVZONSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cccc2cc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc12 ZINC001235935397 1099269330 /nfs/dbraw/zinc/26/93/30/1099269330.db2.gz DOJZVLYAXXLWIW-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1cccc2cc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c(Cl)nc12 ZINC001235935397 1099269341 /nfs/dbraw/zinc/26/93/41/1099269341.db2.gz DOJZVLYAXXLWIW-ZBFHGGJFSA-N 2 2 315.848 3.238 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1cc2ccc(Br)cc2[nH]1 ZINC001235946920 1099276398 /nfs/dbraw/zinc/27/63/98/1099276398.db2.gz DATCSYALAQGPSR-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1cc2ccc(Br)cc2[nH]1 ZINC001235946920 1099276408 /nfs/dbraw/zinc/27/64/08/1099276408.db2.gz DATCSYALAQGPSR-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CCOc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1Br ZINC001235946896 1099278928 /nfs/dbraw/zinc/27/89/28/1099278928.db2.gz BPUCRFSCWNVJOK-UHFFFAOYSA-N 2 2 315.255 3.017 20 0 DGADLP CCOc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1Br ZINC001235946896 1099278938 /nfs/dbraw/zinc/27/89/38/1099278938.db2.gz BPUCRFSCWNVJOK-UHFFFAOYSA-N 2 2 315.255 3.017 20 0 DGADLP COc1cc(OC)c(C[N@H+](CC[NH3+])C(C)C)c2ccccc12 ZINC001235948344 1099280258 /nfs/dbraw/zinc/28/02/58/1099280258.db2.gz PPSAZWZCVAOSEG-UHFFFAOYSA-N 2 2 302.418 3.026 20 0 DGADLP COc1cc(OC)c(C[N@@H+](CC[NH3+])C(C)C)c2ccccc12 ZINC001235948344 1099280264 /nfs/dbraw/zinc/28/02/64/1099280264.db2.gz PPSAZWZCVAOSEG-UHFFFAOYSA-N 2 2 302.418 3.026 20 0 DGADLP Nc1[nH]c(C[N@H+](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC001235947754 1099280623 /nfs/dbraw/zinc/28/06/23/1099280623.db2.gz FLTCRENZKZWSBV-UHFFFAOYSA-N 2 2 306.413 3.237 20 0 DGADLP Nc1[nH]c(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC001235947754 1099280633 /nfs/dbraw/zinc/28/06/33/1099280633.db2.gz FLTCRENZKZWSBV-UHFFFAOYSA-N 2 2 306.413 3.237 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@H]1CCC[NH2+]C1 ZINC001235951840 1099285310 /nfs/dbraw/zinc/28/53/10/1099285310.db2.gz ULMLOBIZKZXUHG-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@H]1CCC[NH2+]C1 ZINC001235951840 1099285316 /nfs/dbraw/zinc/28/53/16/1099285316.db2.gz ULMLOBIZKZXUHG-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235958381 1099288442 /nfs/dbraw/zinc/28/84/42/1099288442.db2.gz HSUZUQUPHUJZRN-NHCUHLMSSA-N 2 2 324.468 3.238 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235958381 1099288451 /nfs/dbraw/zinc/28/84/51/1099288451.db2.gz HSUZUQUPHUJZRN-NHCUHLMSSA-N 2 2 324.468 3.238 20 0 DGADLP CC(C)Oc1c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)ccc(F)c1F ZINC001235958694 1099292412 /nfs/dbraw/zinc/29/24/12/1099292412.db2.gz IVZYKRIUSDRMSU-CYBMUJFWSA-N 2 2 312.404 3.183 20 0 DGADLP CC(C)Oc1c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc(F)c1F ZINC001235958694 1099292421 /nfs/dbraw/zinc/29/24/21/1099292421.db2.gz IVZYKRIUSDRMSU-CYBMUJFWSA-N 2 2 312.404 3.183 20 0 DGADLP CC[N@H+](Cc1ccc(OC)c2cccc(OC)c12)[C@H]1CC[NH2+]C1 ZINC001235971343 1099300023 /nfs/dbraw/zinc/30/00/23/1099300023.db2.gz VEWTUIFRXHKYNK-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP CC[N@@H+](Cc1ccc(OC)c2cccc(OC)c12)[C@H]1CC[NH2+]C1 ZINC001235971343 1099300033 /nfs/dbraw/zinc/30/00/33/1099300033.db2.gz VEWTUIFRXHKYNK-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989810 1099312651 /nfs/dbraw/zinc/31/26/51/1099312651.db2.gz DNUDLPCCIJEFDV-YJBOKZPZSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989810 1099312663 /nfs/dbraw/zinc/31/26/63/1099312663.db2.gz DNUDLPCCIJEFDV-YJBOKZPZSA-N 2 2 313.832 3.325 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](CC)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236006984 1099328988 /nfs/dbraw/zinc/32/89/88/1099328988.db2.gz LUPXYJLDXWTGNU-HNNXBMFYSA-N 2 2 301.434 3.141 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](CC)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236006984 1099329000 /nfs/dbraw/zinc/32/90/00/1099329000.db2.gz LUPXYJLDXWTGNU-HNNXBMFYSA-N 2 2 301.434 3.141 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236046556 1099348740 /nfs/dbraw/zinc/34/87/40/1099348740.db2.gz HHVDFAQPMNRITQ-DOMZBBRYSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236046556 1099348752 /nfs/dbraw/zinc/34/87/52/1099348752.db2.gz HHVDFAQPMNRITQ-DOMZBBRYSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236048325 1099350377 /nfs/dbraw/zinc/35/03/77/1099350377.db2.gz NQJUEEPUKXNSTD-GWCFXTLKSA-N 2 2 302.340 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236048325 1099350391 /nfs/dbraw/zinc/35/03/91/1099350391.db2.gz NQJUEEPUKXNSTD-GWCFXTLKSA-N 2 2 302.340 3.063 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051296 1099352830 /nfs/dbraw/zinc/35/28/30/1099352830.db2.gz LTOIIJUAQLFWMB-QFBILLFUSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051296 1099352843 /nfs/dbraw/zinc/35/28/43/1099352843.db2.gz LTOIIJUAQLFWMB-QFBILLFUSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051297 1099352956 /nfs/dbraw/zinc/35/29/56/1099352956.db2.gz LTOIIJUAQLFWMB-VQIMIIECSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236051297 1099352966 /nfs/dbraw/zinc/35/29/66/1099352966.db2.gz LTOIIJUAQLFWMB-VQIMIIECSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050431 1099353273 /nfs/dbraw/zinc/35/32/73/1099353273.db2.gz SAMNJKLWLRNHHU-GXFFZTMASA-N 2 2 322.250 3.100 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050431 1099353284 /nfs/dbraw/zinc/35/32/84/1099353284.db2.gz SAMNJKLWLRNHHU-GXFFZTMASA-N 2 2 322.250 3.100 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001236067841 1099366910 /nfs/dbraw/zinc/36/69/10/1099366910.db2.gz QHSOMSFZZGJLIM-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001236067841 1099366922 /nfs/dbraw/zinc/36/69/22/1099366922.db2.gz QHSOMSFZZGJLIM-CYBMUJFWSA-N 2 2 311.267 3.107 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(c3ccccc3Cl)CC2)O1 ZINC001236071926 1099370103 /nfs/dbraw/zinc/37/01/03/1099370103.db2.gz MIMSYBKMOJTVGN-AWEZNQCLSA-N 2 2 308.853 3.244 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CCC[NH2+]1 ZINC001236095336 1099383918 /nfs/dbraw/zinc/38/39/18/1099383918.db2.gz QPQLVTUVGSITIX-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)CCC[NH2+]1 ZINC001236095336 1099383930 /nfs/dbraw/zinc/38/39/30/1099383930.db2.gz QPQLVTUVGSITIX-NSHDSACASA-N 2 2 320.330 3.107 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103104 1099390700 /nfs/dbraw/zinc/39/07/00/1099390700.db2.gz WCTCNDQTCITOMW-OALUTQOASA-N 2 2 300.446 3.321 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001236103104 1099390708 /nfs/dbraw/zinc/39/07/08/1099390708.db2.gz WCTCNDQTCITOMW-OALUTQOASA-N 2 2 300.446 3.321 20 0 DGADLP CC[N@H+](Cc1c(F)cccc1Cl)CC1(F)CC[NH2+]CC1 ZINC001236105134 1099392331 /nfs/dbraw/zinc/39/23/31/1099392331.db2.gz UFUBQVVJZSUQTJ-UHFFFAOYSA-N 2 2 302.796 3.393 20 0 DGADLP CC[N@@H+](Cc1c(F)cccc1Cl)CC1(F)CC[NH2+]CC1 ZINC001236105134 1099392342 /nfs/dbraw/zinc/39/23/42/1099392342.db2.gz UFUBQVVJZSUQTJ-UHFFFAOYSA-N 2 2 302.796 3.393 20 0 DGADLP C[NH2+]CC[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001236107137 1099394765 /nfs/dbraw/zinc/39/47/65/1099394765.db2.gz OFQHLDLCZCJVMR-KRWDZBQOSA-N 2 2 312.457 3.348 20 0 DGADLP C[NH2+]CC[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001236107137 1099394778 /nfs/dbraw/zinc/39/47/78/1099394778.db2.gz OFQHLDLCZCJVMR-KRWDZBQOSA-N 2 2 312.457 3.348 20 0 DGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001236173143 1099446113 /nfs/dbraw/zinc/44/61/13/1099446113.db2.gz VIWQRVHXCLPQKU-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001236173143 1099446119 /nfs/dbraw/zinc/44/61/19/1099446119.db2.gz VIWQRVHXCLPQKU-LJQANCHMSA-N 2 2 324.424 3.063 20 0 DGADLP C[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207673 1099464268 /nfs/dbraw/zinc/46/42/68/1099464268.db2.gz RGKLSZNHQMVXQP-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207673 1099464275 /nfs/dbraw/zinc/46/42/75/1099464275.db2.gz RGKLSZNHQMVXQP-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207073 1099464590 /nfs/dbraw/zinc/46/45/90/1099464590.db2.gz NYCOTUHCCNENSA-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1c(Br)cccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207073 1099464596 /nfs/dbraw/zinc/46/45/96/1099464596.db2.gz NYCOTUHCCNENSA-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236209739 1099465824 /nfs/dbraw/zinc/46/58/24/1099465824.db2.gz NFTRMVNIYNQOEQ-LJQANCHMSA-N 2 2 313.420 3.462 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(-c2ccncc2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236209739 1099465838 /nfs/dbraw/zinc/46/58/38/1099465838.db2.gz NFTRMVNIYNQOEQ-LJQANCHMSA-N 2 2 313.420 3.462 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214037 1099470017 /nfs/dbraw/zinc/47/00/17/1099470017.db2.gz DHHPBLSTAFLDKG-OLZOCXBDSA-N 2 2 302.340 3.129 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214037 1099470025 /nfs/dbraw/zinc/47/00/25/1099470025.db2.gz DHHPBLSTAFLDKG-OLZOCXBDSA-N 2 2 302.340 3.129 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219126 1099476413 /nfs/dbraw/zinc/47/64/13/1099476413.db2.gz UQUJTGZGFUVEIS-LSDHHAIUSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219126 1099476416 /nfs/dbraw/zinc/47/64/16/1099476416.db2.gz UQUJTGZGFUVEIS-LSDHHAIUSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219470 1099478553 /nfs/dbraw/zinc/47/85/53/1099478553.db2.gz WQEMGTIAZGDBOC-OLZOCXBDSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219470 1099478561 /nfs/dbraw/zinc/47/85/61/1099478561.db2.gz WQEMGTIAZGDBOC-OLZOCXBDSA-N 2 2 320.330 3.426 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(Cl)c1 ZINC001236226467 1099484022 /nfs/dbraw/zinc/48/40/22/1099484022.db2.gz MBHLXMRRYXDWNS-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(Cl)c1 ZINC001236226467 1099484029 /nfs/dbraw/zinc/48/40/29/1099484029.db2.gz MBHLXMRRYXDWNS-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP CC[N@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1ccc(C)c(C)c1 ZINC001236240122 1099493509 /nfs/dbraw/zinc/49/35/09/1099493509.db2.gz JBBFFDPLDYMHPB-UHFFFAOYSA-N 2 2 315.486 3.428 20 0 DGADLP CC[N@@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1ccc(C)c(C)c1 ZINC001236240122 1099493513 /nfs/dbraw/zinc/49/35/13/1099493513.db2.gz JBBFFDPLDYMHPB-UHFFFAOYSA-N 2 2 315.486 3.428 20 0 DGADLP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1cccc(F)c1F ZINC001236240782 1099495453 /nfs/dbraw/zinc/49/54/53/1099495453.db2.gz MLULMUQWRWOCSK-UHFFFAOYSA-N 2 2 308.397 3.304 20 0 DGADLP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1cccc(F)c1F ZINC001236240782 1099495460 /nfs/dbraw/zinc/49/54/60/1099495460.db2.gz MLULMUQWRWOCSK-UHFFFAOYSA-N 2 2 308.397 3.304 20 0 DGADLP CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236285777 1099519041 /nfs/dbraw/zinc/51/90/41/1099519041.db2.gz FWYKHRULTNYYRB-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP CC[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236285777 1099519050 /nfs/dbraw/zinc/51/90/50/1099519050.db2.gz FWYKHRULTNYYRB-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)c[nH+]1 ZINC001236315152 1099529767 /nfs/dbraw/zinc/52/97/67/1099529767.db2.gz HYQZZXPMNICUJM-HNNXBMFYSA-N 2 2 305.385 3.145 20 0 DGADLP COCC[N@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236331267 1099542518 /nfs/dbraw/zinc/54/25/18/1099542518.db2.gz BAMCZKNODCJXML-FXAWDEMLSA-N 2 2 318.505 3.299 20 0 DGADLP COCC[N@@H+](C[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236331267 1099542529 /nfs/dbraw/zinc/54/25/29/1099542529.db2.gz BAMCZKNODCJXML-FXAWDEMLSA-N 2 2 318.505 3.299 20 0 DGADLP COCC[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236330768 1099543215 /nfs/dbraw/zinc/54/32/15/1099543215.db2.gz UTZWJWDZIAFGBU-JQHSSLGASA-N 2 2 322.880 3.144 20 0 DGADLP COCC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236330768 1099543224 /nfs/dbraw/zinc/54/32/24/1099543224.db2.gz UTZWJWDZIAFGBU-JQHSSLGASA-N 2 2 322.880 3.144 20 0 DGADLP Oc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1F ZINC001236374550 1099560250 /nfs/dbraw/zinc/56/02/50/1099560250.db2.gz DQTQUPXTTAUUDP-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1F ZINC001236374550 1099560262 /nfs/dbraw/zinc/56/02/62/1099560262.db2.gz DQTQUPXTTAUUDP-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP CCCCc1ncc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236376315 1099564633 /nfs/dbraw/zinc/56/46/33/1099564633.db2.gz QSEYYYBYNPXJHF-MRXNPFEDSA-N 2 2 318.509 3.497 20 0 DGADLP CCCCc1ncc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236376315 1099564642 /nfs/dbraw/zinc/56/46/42/1099564642.db2.gz QSEYYYBYNPXJHF-MRXNPFEDSA-N 2 2 318.509 3.497 20 0 DGADLP CCCCc1nc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c[nH]1 ZINC001236376315 1099564653 /nfs/dbraw/zinc/56/46/53/1099564653.db2.gz QSEYYYBYNPXJHF-MRXNPFEDSA-N 2 2 318.509 3.497 20 0 DGADLP CCCCc1nc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c[nH]1 ZINC001236376315 1099564660 /nfs/dbraw/zinc/56/46/60/1099564660.db2.gz QSEYYYBYNPXJHF-MRXNPFEDSA-N 2 2 318.509 3.497 20 0 DGADLP COC(C)(C)CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387431 1099567531 /nfs/dbraw/zinc/56/75/31/1099567531.db2.gz CFYAMIHYMIZHLU-KRWDZBQOSA-N 2 2 308.441 3.195 20 0 DGADLP COC(C)(C)CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387431 1099567542 /nfs/dbraw/zinc/56/75/42/1099567542.db2.gz CFYAMIHYMIZHLU-KRWDZBQOSA-N 2 2 308.441 3.195 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+](CC)C[C@H]2CC[NH2+]C2)c1F ZINC001236407022 1099580241 /nfs/dbraw/zinc/58/02/41/1099580241.db2.gz APEBFXDNPYWJSH-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)c1F ZINC001236407022 1099580247 /nfs/dbraw/zinc/58/02/47/1099580247.db2.gz APEBFXDNPYWJSH-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409613 1099584728 /nfs/dbraw/zinc/58/47/28/1099584728.db2.gz ACCNFQGONRPTIZ-QLPKVWCKSA-N 2 2 302.805 3.250 20 0 DGADLP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409613 1099584740 /nfs/dbraw/zinc/58/47/40/1099584740.db2.gz ACCNFQGONRPTIZ-QLPKVWCKSA-N 2 2 302.805 3.250 20 0 DGADLP Cc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1O ZINC001236416681 1099590659 /nfs/dbraw/zinc/59/06/59/1099590659.db2.gz XXPSPSSZKFIALE-OAHLLOKOSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1O ZINC001236416681 1099590667 /nfs/dbraw/zinc/59/06/67/1099590667.db2.gz XXPSPSSZKFIALE-OAHLLOKOSA-N 2 2 300.377 3.040 20 0 DGADLP Cc1ccc(OCc2ccccc2)c(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236417988 1099593081 /nfs/dbraw/zinc/59/30/81/1099593081.db2.gz ZNLCSCISBNQHMH-KXTWHKPSSA-N 2 2 322.452 3.224 20 0 DGADLP Cc1ccc(OCc2ccccc2)c(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236417988 1099593091 /nfs/dbraw/zinc/59/30/91/1099593091.db2.gz ZNLCSCISBNQHMH-KXTWHKPSSA-N 2 2 322.452 3.224 20 0 DGADLP C[C@@H](C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236438216 1099613816 /nfs/dbraw/zinc/61/38/16/1099613816.db2.gz SPUNCWZAUDABDP-FXAWDEMLSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236438216 1099613821 /nfs/dbraw/zinc/61/38/21/1099613821.db2.gz SPUNCWZAUDABDP-FXAWDEMLSA-N 2 2 309.457 3.439 20 0 DGADLP CC(C)(C)C[N@H+](Cc1c(F)ccc(N)c1F)C1CC[NH2+]CC1 ZINC001236456700 1099619684 /nfs/dbraw/zinc/61/96/84/1099619684.db2.gz FJGNOOHSHSAYGH-UHFFFAOYSA-N 2 2 311.420 3.147 20 0 DGADLP CC(C)(C)C[N@@H+](Cc1c(F)ccc(N)c1F)C1CC[NH2+]CC1 ZINC001236456700 1099619689 /nfs/dbraw/zinc/61/96/89/1099619689.db2.gz FJGNOOHSHSAYGH-UHFFFAOYSA-N 2 2 311.420 3.147 20 0 DGADLP CC(C)[N@H+](Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468588 1099628707 /nfs/dbraw/zinc/62/87/07/1099628707.db2.gz KCHDIMHASMAMHR-OAHLLOKOSA-N 2 2 311.267 3.412 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468588 1099628711 /nfs/dbraw/zinc/62/87/11/1099628711.db2.gz KCHDIMHASMAMHR-OAHLLOKOSA-N 2 2 311.267 3.412 20 0 DGADLP CC(C)C[N@H+](Cc1ccc2cccc(O)c2n1)[C@@H]1CCC[NH2+]C1 ZINC001236478080 1099636745 /nfs/dbraw/zinc/63/67/45/1099636745.db2.gz XORSTCIZSLMUSW-QGZVFWFLSA-N 2 2 313.445 3.150 20 0 DGADLP CC(C)C[N@@H+](Cc1ccc2cccc(O)c2n1)[C@@H]1CCC[NH2+]C1 ZINC001236478080 1099636748 /nfs/dbraw/zinc/63/67/48/1099636748.db2.gz XORSTCIZSLMUSW-QGZVFWFLSA-N 2 2 313.445 3.150 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCC(C)C ZINC000075784349 1099652647 /nfs/dbraw/zinc/65/26/47/1099652647.db2.gz GAFAOBAIDKPNEL-OAHLLOKOSA-N 2 2 317.433 3.105 20 0 DGADLP CCOc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC001236602645 1099697219 /nfs/dbraw/zinc/69/72/19/1099697219.db2.gz YNWOYLJIWVJNCG-CQSZACIVSA-N 2 2 306.425 3.188 20 0 DGADLP CCOc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC001236602645 1099697226 /nfs/dbraw/zinc/69/72/26/1099697226.db2.gz YNWOYLJIWVJNCG-CQSZACIVSA-N 2 2 306.425 3.188 20 0 DGADLP CCc1sc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC001236605424 1099701000 /nfs/dbraw/zinc/70/10/00/1099701000.db2.gz SWYGFKZROJRAJZ-ZDUSSCGKSA-N 2 2 317.296 3.244 20 0 DGADLP CCc1sc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1Br ZINC001236605424 1099701009 /nfs/dbraw/zinc/70/10/09/1099701009.db2.gz SWYGFKZROJRAJZ-ZDUSSCGKSA-N 2 2 317.296 3.244 20 0 DGADLP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1 ZINC001236646734 1099719584 /nfs/dbraw/zinc/71/95/84/1099719584.db2.gz IGELAEBXSBVCGR-QGZVFWFLSA-N 2 2 318.461 3.200 20 0 DGADLP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc(OC)c1 ZINC001236646734 1099719595 /nfs/dbraw/zinc/71/95/95/1099719595.db2.gz IGELAEBXSBVCGR-QGZVFWFLSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001236837204 1099822794 /nfs/dbraw/zinc/82/27/94/1099822794.db2.gz AHGVJCBHRCPTJA-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001236837204 1099822806 /nfs/dbraw/zinc/82/28/06/1099822806.db2.gz AHGVJCBHRCPTJA-SFHVURJKSA-N 2 2 317.477 3.321 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3cc4sccc4nc3Cl)C2)CC1 ZINC001236865512 1099840338 /nfs/dbraw/zinc/84/03/38/1099840338.db2.gz WVCPNQKOVFRQOF-UHFFFAOYSA-N 2 2 321.877 3.477 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1O ZINC001236902847 1099865310 /nfs/dbraw/zinc/86/53/10/1099865310.db2.gz JOHNAQASBNIODF-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1O ZINC001236902847 1099865317 /nfs/dbraw/zinc/86/53/17/1099865317.db2.gz JOHNAQASBNIODF-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913088 1099872830 /nfs/dbraw/zinc/87/28/30/1099872830.db2.gz ZWHAQLWSECILFW-MRXNPFEDSA-N 2 2 319.836 3.261 20 0 DGADLP CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913088 1099872837 /nfs/dbraw/zinc/87/28/37/1099872837.db2.gz ZWHAQLWSECILFW-MRXNPFEDSA-N 2 2 319.836 3.261 20 0 DGADLP CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236912732 1099873164 /nfs/dbraw/zinc/87/31/64/1099873164.db2.gz VHDUELPKMUHAGO-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236912732 1099873175 /nfs/dbraw/zinc/87/31/75/1099873175.db2.gz VHDUELPKMUHAGO-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@]1(C)O ZINC001236913824 1099873930 /nfs/dbraw/zinc/87/39/30/1099873930.db2.gz OSWAUHKKXVSECL-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@]1(O)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913247 1099874266 /nfs/dbraw/zinc/87/42/66/1099874266.db2.gz JODXQQNFAVCSKT-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913247 1099874269 /nfs/dbraw/zinc/87/42/69/1099874269.db2.gz JODXQQNFAVCSKT-KRWDZBQOSA-N 2 2 319.836 3.263 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC001236918051 1099878322 /nfs/dbraw/zinc/87/83/22/1099878322.db2.gz WSXHNBRUVOMMMA-UHFFFAOYSA-N 2 2 317.820 3.281 20 0 DGADLP CC[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1C ZINC001236929593 1099879796 /nfs/dbraw/zinc/87/97/96/1099879796.db2.gz QPISUFDLDDCBPY-CQSZACIVSA-N 2 2 318.852 3.052 20 0 DGADLP CC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@H]1C ZINC001236929593 1099879806 /nfs/dbraw/zinc/87/98/06/1099879806.db2.gz QPISUFDLDDCBPY-CQSZACIVSA-N 2 2 318.852 3.052 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237057371 1099951415 /nfs/dbraw/zinc/95/14/15/1099951415.db2.gz LGNWSVFXBMLEHL-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237057371 1099951422 /nfs/dbraw/zinc/95/14/22/1099951422.db2.gz LGNWSVFXBMLEHL-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)c1 ZINC001237143455 1099992756 /nfs/dbraw/zinc/99/27/56/1099992756.db2.gz RSWKEIUHILMEAS-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)c1 ZINC001237143455 1099992762 /nfs/dbraw/zinc/99/27/62/1099992762.db2.gz RSWKEIUHILMEAS-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP COc1c(C)cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237154610 1100003623 /nfs/dbraw/zinc/00/36/23/1100003623.db2.gz LUDGPXINENLIRY-GOSISDBHSA-N 2 2 302.462 3.419 20 0 DGADLP COc1c(C)cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237154610 1100003631 /nfs/dbraw/zinc/00/36/31/1100003631.db2.gz LUDGPXINENLIRY-GOSISDBHSA-N 2 2 302.462 3.419 20 0 DGADLP c1c2cccnc2sc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154441 1100003820 /nfs/dbraw/zinc/00/38/20/1100003820.db2.gz BNNCTEANCPJPRL-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2cccnc2sc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154441 1100003826 /nfs/dbraw/zinc/00/38/26/1100003826.db2.gz BNNCTEANCPJPRL-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP Fc1cccc2cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)[nH]c21 ZINC001237155971 1100005762 /nfs/dbraw/zinc/00/57/62/1100005762.db2.gz LRHZPGOTNLPONU-MRXNPFEDSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cccc2cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)[nH]c21 ZINC001237155971 1100005767 /nfs/dbraw/zinc/00/57/67/1100005767.db2.gz LRHZPGOTNLPONU-MRXNPFEDSA-N 2 2 301.409 3.414 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001237263209 1100049253 /nfs/dbraw/zinc/04/92/53/1100049253.db2.gz AXWILJTVIBGPPN-DLBZAZTESA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001237263209 1100049266 /nfs/dbraw/zinc/04/92/66/1100049266.db2.gz AXWILJTVIBGPPN-DLBZAZTESA-N 2 2 302.462 3.405 20 0 DGADLP CC[NH2+]CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237257632 1100050591 /nfs/dbraw/zinc/05/05/91/1100050591.db2.gz IZHKYXJUGUGILQ-OAHLLOKOSA-N 2 2 311.267 3.066 20 0 DGADLP CC[NH2+]CC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237257632 1100050597 /nfs/dbraw/zinc/05/05/97/1100050597.db2.gz IZHKYXJUGUGILQ-OAHLLOKOSA-N 2 2 311.267 3.066 20 0 DGADLP Fc1cccc(CC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001237358652 1100092132 /nfs/dbraw/zinc/09/21/32/1100092132.db2.gz HOTVMJLQISJANX-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP Brc1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237376705 1100098699 /nfs/dbraw/zinc/09/86/99/1100098699.db2.gz RYHNZUCYGJWEOV-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237376705 1100098705 /nfs/dbraw/zinc/09/87/05/1100098705.db2.gz RYHNZUCYGJWEOV-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cn2)cc1 ZINC001237389026 1100105155 /nfs/dbraw/zinc/10/51/55/1100105155.db2.gz FLTHCXUSDZBDPP-ICSRJNTNSA-N 2 2 307.441 3.323 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cn2)cc1 ZINC001237389026 1100105160 /nfs/dbraw/zinc/10/51/60/1100105160.db2.gz FLTHCXUSDZBDPP-ICSRJNTNSA-N 2 2 307.441 3.323 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237404205 1100111955 /nfs/dbraw/zinc/11/19/55/1100111955.db2.gz NJBJVSMBDIQJSU-LRDDRELGSA-N 2 2 303.837 3.395 20 0 DGADLP Clc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237404205 1100111961 /nfs/dbraw/zinc/11/19/61/1100111961.db2.gz NJBJVSMBDIQJSU-LRDDRELGSA-N 2 2 303.837 3.395 20 0 DGADLP CCc1[nH]ncc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001237659176 1100206383 /nfs/dbraw/zinc/20/63/83/1100206383.db2.gz NDTAKPSEIQTAST-UHFFFAOYSA-N 2 2 324.472 3.070 20 0 DGADLP CCc1n[nH]cc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237657546 1100206812 /nfs/dbraw/zinc/20/68/12/1100206812.db2.gz GDZHPDSIBWQHTA-HXUWFJFHSA-N 2 2 324.472 3.070 20 0 DGADLP CCc1n[nH]cc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001237657546 1100206817 /nfs/dbraw/zinc/20/68/17/1100206817.db2.gz GDZHPDSIBWQHTA-HXUWFJFHSA-N 2 2 324.472 3.070 20 0 DGADLP CCc1n[nH]cc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001237657546 1100206821 /nfs/dbraw/zinc/20/68/21/1100206821.db2.gz GDZHPDSIBWQHTA-HXUWFJFHSA-N 2 2 324.472 3.070 20 0 DGADLP CCc1n[nH]cc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001237657546 1100206827 /nfs/dbraw/zinc/20/68/27/1100206827.db2.gz GDZHPDSIBWQHTA-HXUWFJFHSA-N 2 2 324.472 3.070 20 0 DGADLP CC[N@H+](Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2)[C@@H](C)C(=O)OC ZINC001237879895 1100278280 /nfs/dbraw/zinc/27/82/80/1100278280.db2.gz QPHFPWYQTLPBHK-AWEZNQCLSA-N 2 2 316.445 3.071 20 0 DGADLP CC[N@@H+](Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2)[C@@H](C)C(=O)OC ZINC001237879895 1100278283 /nfs/dbraw/zinc/27/82/83/1100278283.db2.gz QPHFPWYQTLPBHK-AWEZNQCLSA-N 2 2 316.445 3.071 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC(=O)[C@@H](F)CC3)cc21 ZINC001237880691 1100279851 /nfs/dbraw/zinc/27/98/51/1100279851.db2.gz IRYKODGYLQWJQT-KRWDZBQOSA-N 2 2 316.420 3.191 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC(=O)[C@@H](F)CC3)cc21 ZINC001237880691 1100279853 /nfs/dbraw/zinc/27/98/53/1100279853.db2.gz IRYKODGYLQWJQT-KRWDZBQOSA-N 2 2 316.420 3.191 20 0 DGADLP Cc1cc(C[N@@H+](C)Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)n(C)n1 ZINC001237883994 1100282286 /nfs/dbraw/zinc/28/22/86/1100282286.db2.gz YINKONQDLITSDG-UHFFFAOYSA-N 2 2 324.472 3.362 20 0 DGADLP Cc1cc(C[N@H+](C)Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)n(C)n1 ZINC001237883994 1100282290 /nfs/dbraw/zinc/28/22/90/1100282290.db2.gz YINKONQDLITSDG-UHFFFAOYSA-N 2 2 324.472 3.362 20 0 DGADLP Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)n1 ZINC001238112312 1100365495 /nfs/dbraw/zinc/36/54/95/1100365495.db2.gz CSCKVBDXVKXCDY-GOSISDBHSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)n1 ZINC001238112312 1100365503 /nfs/dbraw/zinc/36/55/03/1100365503.db2.gz CSCKVBDXVKXCDY-GOSISDBHSA-N 2 2 322.412 3.081 20 0 DGADLP COCC[N@H+](Cc1ccc(Cl)c(C)c1C)C1CC[NH+](C)CC1 ZINC001238213646 1100394496 /nfs/dbraw/zinc/39/44/96/1100394496.db2.gz MIUTYHBMPSMACD-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP COCC[N@@H+](Cc1ccc(Cl)c(C)c1C)C1CC[NH+](C)CC1 ZINC001238213646 1100394506 /nfs/dbraw/zinc/39/45/06/1100394506.db2.gz MIUTYHBMPSMACD-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP CC(C)c1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)ccc1Cl ZINC001238220325 1100397664 /nfs/dbraw/zinc/39/76/64/1100397664.db2.gz SPQOPYYBVKPMRA-UHFFFAOYSA-N 2 2 323.912 3.143 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(OC(C)C)c(C)c2)CC1 ZINC001238390719 1100431629 /nfs/dbraw/zinc/43/16/29/1100431629.db2.gz MOLJEVPSQCXIBK-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(OC(C)C)c(C)c2)CC1 ZINC001238390719 1100431633 /nfs/dbraw/zinc/43/16/33/1100431633.db2.gz MOLJEVPSQCXIBK-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP Cc1cnc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC001238431987 1100442608 /nfs/dbraw/zinc/44/26/08/1100442608.db2.gz JGPGOWIZHJQITI-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(OC(C)C)cc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001238483903 1100455115 /nfs/dbraw/zinc/45/51/15/1100455115.db2.gz YJVAFIKTRVJOIN-UHFFFAOYSA-N 2 2 302.462 3.452 20 0 DGADLP COc1cc(F)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001238798493 1100534685 /nfs/dbraw/zinc/53/46/85/1100534685.db2.gz MXSSNTUQDAKLLJ-UHFFFAOYSA-N 2 2 312.816 3.015 20 0 DGADLP COC(=O)CC1([NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001191899511 1100542372 /nfs/dbraw/zinc/54/23/72/1100542372.db2.gz LFOQLBFNCHNCQT-INIZCTEOSA-N 2 2 310.482 3.105 20 0 DGADLP COC(=O)CC1([NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001191899511 1100542379 /nfs/dbraw/zinc/54/23/79/1100542379.db2.gz LFOQLBFNCHNCQT-INIZCTEOSA-N 2 2 310.482 3.105 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cnc3ccccc3c2)C1 ZINC001239796910 1100757970 /nfs/dbraw/zinc/75/79/70/1100757970.db2.gz VNXWIPMYCUFCPC-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cnc3ccccc3c2)C1 ZINC001239796910 1100757972 /nfs/dbraw/zinc/75/79/72/1100757972.db2.gz VNXWIPMYCUFCPC-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cncc4ccccc43)cc2)C1 ZINC001239948768 1100807717 /nfs/dbraw/zinc/80/77/17/1100807717.db2.gz FSARFWHNAPBJHT-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cncc4ccccc43)cc2)C1 ZINC001239948768 1100807720 /nfs/dbraw/zinc/80/77/20/1100807720.db2.gz FSARFWHNAPBJHT-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP COC(=O)[C@H]([NH3+])c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001240060611 1100851030 /nfs/dbraw/zinc/85/10/30/1100851030.db2.gz PSHCMZGRBCNHSB-LJQANCHMSA-N 2 2 324.424 3.122 20 0 DGADLP FC(F)(F)c1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccn1 ZINC001240339233 1100948492 /nfs/dbraw/zinc/94/84/92/1100948492.db2.gz RGPBRAXFAPAWIT-UHFFFAOYSA-N 2 2 318.302 3.102 20 0 DGADLP COC(=[NH2+])c1cccc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC001240409094 1100983051 /nfs/dbraw/zinc/98/30/51/1100983051.db2.gz WICJHEULWMOQPL-UHFFFAOYSA-N 2 2 323.440 3.073 20 0 DGADLP COc1cc(-n2cc[nH+]c2)ccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240459399 1101006088 /nfs/dbraw/zinc/00/60/88/1101006088.db2.gz XJFSQKIPYOEUDD-UHFFFAOYSA-N 2 2 305.381 3.194 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001240462186 1101008115 /nfs/dbraw/zinc/00/81/15/1101008115.db2.gz BRSOOYTWARMDHR-QGZVFWFLSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc12 ZINC001240462186 1101008123 /nfs/dbraw/zinc/00/81/23/1101008123.db2.gz BRSOOYTWARMDHR-QGZVFWFLSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001240464292 1101008747 /nfs/dbraw/zinc/00/87/47/1101008747.db2.gz WFVOQAGZSJMVAH-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2ccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001240464292 1101008752 /nfs/dbraw/zinc/00/87/52/1101008752.db2.gz WFVOQAGZSJMVAH-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cn2cc[nH+]c12 ZINC001240476529 1101014177 /nfs/dbraw/zinc/01/41/77/1101014177.db2.gz YKHXOMDGAMOPDV-UHFFFAOYSA-N 2 2 307.397 3.142 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc4cccnc43)ccn12 ZINC001240893158 1101171779 /nfs/dbraw/zinc/17/17/79/1101171779.db2.gz CQFLCXHULIFYQS-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(F)c(F)cc3F)cc2)C1 ZINC001241112304 1101258743 /nfs/dbraw/zinc/25/87/43/1101258743.db2.gz OMUCVHDOJUOFNX-ZDUSSCGKSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(F)c(F)cc3F)cc2)C1 ZINC001241112304 1101258746 /nfs/dbraw/zinc/25/87/46/1101258746.db2.gz OMUCVHDOJUOFNX-ZDUSSCGKSA-N 2 2 306.331 3.304 20 0 DGADLP CCOc1ccc(C)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241146021 1101274871 /nfs/dbraw/zinc/27/48/71/1101274871.db2.gz HJRZDRZKSVJPCS-UHFFFAOYSA-N 2 2 307.397 3.395 20 0 DGADLP Nc1cc(-c2ccc(-c3c[nH]c([C@@H]4CCC[NH2+]4)n3)cc2)cc[nH+]1 ZINC001241169592 1101283463 /nfs/dbraw/zinc/28/34/63/1101283463.db2.gz HBCWSOLNTZMKHD-HNNXBMFYSA-N 2 2 305.385 3.145 20 0 DGADLP Fc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1Cl ZINC001241231539 1101304424 /nfs/dbraw/zinc/30/44/24/1101304424.db2.gz KBDKMZRTIODZQB-UHFFFAOYSA-N 2 2 301.752 3.481 20 0 DGADLP CCOc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1F ZINC001241264620 1101332845 /nfs/dbraw/zinc/33/28/45/1101332845.db2.gz IWMOKYAKTSIOTL-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP CCOc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001241266973 1101334101 /nfs/dbraw/zinc/33/41/01/1101334101.db2.gz MQWVZNNDPROXDM-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001241266973 1101334116 /nfs/dbraw/zinc/33/41/16/1101334116.db2.gz MQWVZNNDPROXDM-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)CCC1(F)F ZINC001205781697 1101350322 /nfs/dbraw/zinc/35/03/22/1101350322.db2.gz XTMRBLNBLDYSTI-CQSZACIVSA-N 2 2 306.356 3.363 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCC1(F)F ZINC001205781697 1101350333 /nfs/dbraw/zinc/35/03/33/1101350333.db2.gz XTMRBLNBLDYSTI-CQSZACIVSA-N 2 2 306.356 3.363 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4ncccc4c3)cc2)C1 ZINC001241400197 1101433344 /nfs/dbraw/zinc/43/33/44/1101433344.db2.gz IDILTXAPBUUJJA-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4ncccc4c3)cc2)C1 ZINC001241400197 1101433352 /nfs/dbraw/zinc/43/33/52/1101433352.db2.gz IDILTXAPBUUJJA-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP Cc1n[nH]c2ccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001241670028 1101622037 /nfs/dbraw/zinc/62/20/37/1101622037.db2.gz BGGNXEJPIQNZJE-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc12 ZINC001241670028 1101622044 /nfs/dbraw/zinc/62/20/44/1101622044.db2.gz BGGNXEJPIQNZJE-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cn1ccc2c1cccc2-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001241823961 1101730289 /nfs/dbraw/zinc/73/02/89/1101730289.db2.gz HKLCZBDXRONBMW-MRXNPFEDSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2c1cccc2-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001241823961 1101730303 /nfs/dbraw/zinc/73/03/03/1101730303.db2.gz HKLCZBDXRONBMW-MRXNPFEDSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)F)cc2)C1 ZINC001241952827 1101800169 /nfs/dbraw/zinc/80/01/69/1101800169.db2.gz NTFJCQSRUGIMOR-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)F)cc2)C1 ZINC001241952827 1101800186 /nfs/dbraw/zinc/80/01/86/1101800186.db2.gz NTFJCQSRUGIMOR-HNNXBMFYSA-N 2 2 318.367 3.488 20 0 DGADLP Cc1[nH+]c(-c2ccccc2C[NH+]2CCOCC2)cc2[nH]ccc21 ZINC001241982772 1101826765 /nfs/dbraw/zinc/82/67/65/1101826765.db2.gz JPKPYVKUMMCHMY-UHFFFAOYSA-N 2 2 307.397 3.371 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC001198790941 1101976822 /nfs/dbraw/zinc/97/68/22/1101976822.db2.gz QGSJGPCGVZQRHS-INIZCTEOSA-N 2 2 312.461 3.455 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC001198790941 1101976825 /nfs/dbraw/zinc/97/68/25/1101976825.db2.gz QGSJGPCGVZQRHS-INIZCTEOSA-N 2 2 312.461 3.455 20 0 DGADLP CCOC(C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OCC ZINC001198790657 1101977721 /nfs/dbraw/zinc/97/77/21/1101977721.db2.gz KWSHQZVCJUQPOS-OAHLLOKOSA-N 2 2 323.481 3.217 20 0 DGADLP CCOC(C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OCC ZINC001198790657 1101977726 /nfs/dbraw/zinc/97/77/26/1101977726.db2.gz KWSHQZVCJUQPOS-OAHLLOKOSA-N 2 2 323.481 3.217 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(OCC4CC4)nc3)cc2)C1 ZINC001242215058 1101987197 /nfs/dbraw/zinc/98/71/97/1101987197.db2.gz FGJTXTQCMGJWDA-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OCC4CC4)nc3)cc2)C1 ZINC001242215058 1101987201 /nfs/dbraw/zinc/98/72/01/1101987201.db2.gz FGJTXTQCMGJWDA-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1N(C)C ZINC001242241779 1102003249 /nfs/dbraw/zinc/00/32/49/1102003249.db2.gz CMCITUZONDSPGQ-GOSISDBHSA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1N(C)C ZINC001242241779 1102003262 /nfs/dbraw/zinc/00/32/62/1102003262.db2.gz CMCITUZONDSPGQ-GOSISDBHSA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242285870 1102029221 /nfs/dbraw/zinc/02/92/21/1102029221.db2.gz YJWMKJTXHBBNKU-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242285870 1102029233 /nfs/dbraw/zinc/02/92/33/1102029233.db2.gz YJWMKJTXHBBNKU-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Fc1ccccc1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001198989881 1102043937 /nfs/dbraw/zinc/04/39/37/1102043937.db2.gz DSWSSWPDSSHKTH-UHFFFAOYSA-N 2 2 301.390 3.405 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cnc4sccc4c3)c2)C1 ZINC001242680262 1102283110 /nfs/dbraw/zinc/28/31/10/1102283110.db2.gz PGKUBHQMYQPQKP-KRWDZBQOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cnc4sccc4c3)c2)C1 ZINC001242680262 1102283116 /nfs/dbraw/zinc/28/31/16/1102283116.db2.gz PGKUBHQMYQPQKP-KRWDZBQOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(OC4CC4)c3)c2)C1 ZINC001242806425 1102355968 /nfs/dbraw/zinc/35/59/68/1102355968.db2.gz CYWPNGIDTPYLOL-GOSISDBHSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(OC4CC4)c3)c2)C1 ZINC001242806425 1102355979 /nfs/dbraw/zinc/35/59/79/1102355979.db2.gz CYWPNGIDTPYLOL-GOSISDBHSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(OC4CC4)c3)c2)C1 ZINC001242806428 1102356446 /nfs/dbraw/zinc/35/64/46/1102356446.db2.gz CYWPNGIDTPYLOL-SFHVURJKSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(OC4CC4)c3)c2)C1 ZINC001242806428 1102356454 /nfs/dbraw/zinc/35/64/54/1102356454.db2.gz CYWPNGIDTPYLOL-SFHVURJKSA-N 2 2 308.425 3.428 20 0 DGADLP Fc1ccc(/C=C/C[NH2+]CCCNc2cccc[nH+]2)c(F)c1 ZINC001200902178 1102443875 /nfs/dbraw/zinc/44/38/75/1102443875.db2.gz PXWTXGZQXRALSX-HWKANZROSA-N 2 2 303.356 3.465 20 0 DGADLP Cc1ccc(F)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC001200971277 1102449054 /nfs/dbraw/zinc/44/90/54/1102449054.db2.gz JCIRZTFVFUEPMI-UHFFFAOYSA-N 2 2 308.441 3.113 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417800 1102585398 /nfs/dbraw/zinc/58/53/98/1102585398.db2.gz WWFRSWWVUFPGPX-YESZJQIVSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417800 1102585408 /nfs/dbraw/zinc/58/54/08/1102585408.db2.gz WWFRSWWVUFPGPX-YESZJQIVSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417800 1102585414 /nfs/dbraw/zinc/58/54/14/1102585414.db2.gz WWFRSWWVUFPGPX-YESZJQIVSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417800 1102585419 /nfs/dbraw/zinc/58/54/19/1102585419.db2.gz WWFRSWWVUFPGPX-YESZJQIVSA-N 2 2 317.502 3.396 20 0 DGADLP COc1c(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001243226063 1102602586 /nfs/dbraw/zinc/60/25/86/1102602586.db2.gz XHIPFQOONUDWGM-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001243226063 1102602590 /nfs/dbraw/zinc/60/25/90/1102602590.db2.gz XHIPFQOONUDWGM-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP Cc1noc(C)c1[C@H](C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001201586698 1102662319 /nfs/dbraw/zinc/66/23/19/1102662319.db2.gz GEYLXWYEQPATRO-LLVKDONJSA-N 2 2 316.430 3.432 20 0 DGADLP Nc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1Cl ZINC001243375455 1102691271 /nfs/dbraw/zinc/69/12/71/1102691271.db2.gz QJRMBMSXWCPFGD-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1Cl ZINC001243375455 1102691277 /nfs/dbraw/zinc/69/12/77/1102691277.db2.gz QJRMBMSXWCPFGD-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Clc1nccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1Cl ZINC001243414536 1102711093 /nfs/dbraw/zinc/71/10/93/1102711093.db2.gz MWFPSVNVSNPNFO-UHFFFAOYSA-N 2 2 319.195 3.390 20 0 DGADLP OCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC001201857039 1102736118 /nfs/dbraw/zinc/73/61/18/1102736118.db2.gz FMBXZZWLOBDWSS-KRWDZBQOSA-N 2 2 319.474 3.355 20 0 DGADLP C[NH+]1CCN(c2cccc(-c3cc[nH+]c(N4CCCC4)c3)c2)CC1 ZINC001243669559 1102902608 /nfs/dbraw/zinc/90/26/08/1102902608.db2.gz UPSWWJRDVQLKHB-UHFFFAOYSA-N 2 2 322.456 3.101 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3cc[nH]c(=O)c3c2)C1 ZINC001244314019 1103352357 /nfs/dbraw/zinc/35/23/57/1103352357.db2.gz YKIWOXUUTLQTEQ-QGZVFWFLSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cc[nH]c(=O)c3c2)C1 ZINC001244314019 1103352371 /nfs/dbraw/zinc/35/23/71/1103352371.db2.gz YKIWOXUUTLQTEQ-QGZVFWFLSA-N 2 2 319.408 3.140 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnc(C3CC3)nc2)[nH+]1 ZINC001326785829 1103443726 /nfs/dbraw/zinc/44/37/26/1103443726.db2.gz FZDBFJQKGOYICZ-KRWDZBQOSA-N 2 2 323.444 3.134 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnc(C3CC3)nc2)[nH+]1 ZINC001326785829 1103443727 /nfs/dbraw/zinc/44/37/27/1103443727.db2.gz FZDBFJQKGOYICZ-KRWDZBQOSA-N 2 2 323.444 3.134 20 0 DGADLP C[C@@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001326976715 1103492275 /nfs/dbraw/zinc/49/22/75/1103492275.db2.gz HWEGYUCRAFIFKV-XFMPKHEZSA-N 2 2 300.406 3.052 20 0 DGADLP C[C@@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001326976715 1103492282 /nfs/dbraw/zinc/49/22/82/1103492282.db2.gz HWEGYUCRAFIFKV-XFMPKHEZSA-N 2 2 300.406 3.052 20 0 DGADLP C[C@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001326976712 1103492666 /nfs/dbraw/zinc/49/26/66/1103492666.db2.gz HWEGYUCRAFIFKV-COMQUAJESA-N 2 2 300.406 3.052 20 0 DGADLP C[C@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001326976712 1103492674 /nfs/dbraw/zinc/49/26/74/1103492674.db2.gz HWEGYUCRAFIFKV-COMQUAJESA-N 2 2 300.406 3.052 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244587191 1103542985 /nfs/dbraw/zinc/54/29/85/1103542985.db2.gz XQDDECSCJRCOLT-HNNXBMFYSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244587191 1103542999 /nfs/dbraw/zinc/54/29/99/1103542999.db2.gz XQDDECSCJRCOLT-HNNXBMFYSA-N 2 2 315.848 3.431 20 0 DGADLP C[C@@H](CC(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001327265211 1103606335 /nfs/dbraw/zinc/60/63/35/1103606335.db2.gz UBBPFNOAMOBZIP-INIZCTEOSA-N 2 2 322.497 3.051 20 0 DGADLP C[C@@H](CC(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001327265211 1103606362 /nfs/dbraw/zinc/60/63/62/1103606362.db2.gz UBBPFNOAMOBZIP-INIZCTEOSA-N 2 2 322.497 3.051 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538317 1103676877 /nfs/dbraw/zinc/67/68/77/1103676877.db2.gz QASFPGPBLRNYOU-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538317 1103676883 /nfs/dbraw/zinc/67/68/83/1103676883.db2.gz QASFPGPBLRNYOU-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538317 1103676889 /nfs/dbraw/zinc/67/68/89/1103676889.db2.gz QASFPGPBLRNYOU-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538317 1103676896 /nfs/dbraw/zinc/67/68/96/1103676896.db2.gz QASFPGPBLRNYOU-IRXDYDNUSA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538318 1103677740 /nfs/dbraw/zinc/67/77/40/1103677740.db2.gz QASFPGPBLRNYOU-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538318 1103677746 /nfs/dbraw/zinc/67/77/46/1103677746.db2.gz QASFPGPBLRNYOU-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538318 1103677750 /nfs/dbraw/zinc/67/77/50/1103677750.db2.gz QASFPGPBLRNYOU-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001327538318 1103677753 /nfs/dbraw/zinc/67/77/53/1103677753.db2.gz QASFPGPBLRNYOU-SJORKVTESA-N 2 2 310.869 3.178 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001244918943 1103760777 /nfs/dbraw/zinc/76/07/77/1103760777.db2.gz PSUQNHYOPAIBAS-AWEZNQCLSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001244918943 1103760786 /nfs/dbraw/zinc/76/07/86/1103760786.db2.gz PSUQNHYOPAIBAS-AWEZNQCLSA-N 2 2 301.821 3.243 20 0 DGADLP CNc1cc(-c2ccc3ncn([C@@H]4CCC[NH2+]CC4)c3c2)cc[nH+]1 ZINC001244973313 1103787598 /nfs/dbraw/zinc/78/75/98/1103787598.db2.gz LYCGKGWLVBLKOR-MRXNPFEDSA-N 2 2 321.428 3.455 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(Cl)cc(CO)c3)cc2)C1 ZINC001245094468 1103857398 /nfs/dbraw/zinc/85/73/98/1103857398.db2.gz VCLINHYLYQCBSV-SFHVURJKSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(Cl)cc(CO)c3)cc2)C1 ZINC001245094468 1103857418 /nfs/dbraw/zinc/85/74/18/1103857418.db2.gz VCLINHYLYQCBSV-SFHVURJKSA-N 2 2 316.832 3.032 20 0 DGADLP COCc1cccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC001202519811 1103890853 /nfs/dbraw/zinc/89/08/53/1103890853.db2.gz LAYMKMJSJAWPAI-IBGZPJMESA-N 2 2 304.478 3.433 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(C[NH3+])cc3F)sc2C1 ZINC001328642614 1104008173 /nfs/dbraw/zinc/00/81/73/1104008173.db2.gz IVLCSGLAPMLZTG-LLVKDONJSA-N 2 2 319.449 3.156 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245424490 1104045012 /nfs/dbraw/zinc/04/50/12/1104045012.db2.gz DVHXDIBSCGYJHG-LJQANCHMSA-N 2 2 323.440 3.355 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3C(F)(F)F)cc2)C1 ZINC001245446466 1104062260 /nfs/dbraw/zinc/06/22/60/1104062260.db2.gz JWRGNWPWDHAWDZ-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3C(F)(F)F)cc2)C1 ZINC001245446466 1104062271 /nfs/dbraw/zinc/06/22/71/1104062271.db2.gz JWRGNWPWDHAWDZ-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP Cc1cc(-c2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)c[nH+]c1N ZINC001245538118 1104110236 /nfs/dbraw/zinc/11/02/36/1104110236.db2.gz WQVLPKCHAABTMX-MRXNPFEDSA-N 2 2 321.428 3.304 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCCCF)c(C)[nH+]1 ZINC001329086893 1104147312 /nfs/dbraw/zinc/14/73/12/1104147312.db2.gz QXZVONLQPGYGSV-GJZGRUSLSA-N 2 2 323.456 3.243 20 0 DGADLP COc1ccc(Cl)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001245813661 1104249303 /nfs/dbraw/zinc/24/93/03/1104249303.db2.gz UMBHPMOWLUVJHW-UHFFFAOYSA-N 2 2 313.788 3.350 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(F)ccc(O)c3Cl)cc2)C1 ZINC001245831949 1104258230 /nfs/dbraw/zinc/25/82/30/1104258230.db2.gz QPOPISGIERDKNC-CYBMUJFWSA-N 2 2 320.795 3.385 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(F)ccc(O)c3Cl)cc2)C1 ZINC001245831949 1104258236 /nfs/dbraw/zinc/25/82/36/1104258236.db2.gz QPOPISGIERDKNC-CYBMUJFWSA-N 2 2 320.795 3.385 20 0 DGADLP CCCCC[C@H](O)C[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052815 1104359130 /nfs/dbraw/zinc/35/91/30/1104359130.db2.gz OVGRRLBKDCEXOJ-SFHVURJKSA-N 2 2 322.468 3.321 20 0 DGADLP CCCCC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001246052815 1104359142 /nfs/dbraw/zinc/35/91/42/1104359142.db2.gz OVGRRLBKDCEXOJ-SFHVURJKSA-N 2 2 322.468 3.321 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cccnc1N(C)C)C1CCCCC1 ZINC001329660579 1104360839 /nfs/dbraw/zinc/36/08/39/1104360839.db2.gz YWDFFOVMMCLSHZ-UHFFFAOYSA-N 2 2 318.509 3.282 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cccnc1N(C)C)C1CCCCC1 ZINC001329660579 1104360846 /nfs/dbraw/zinc/36/08/46/1104360846.db2.gz YWDFFOVMMCLSHZ-UHFFFAOYSA-N 2 2 318.509 3.282 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246074265 1104367098 /nfs/dbraw/zinc/36/70/98/1104367098.db2.gz BYDZARHQUHWOTP-CRAIPNDOSA-N 2 2 302.368 3.112 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246075647 1104369347 /nfs/dbraw/zinc/36/93/47/1104369347.db2.gz JNMOVGBOSRUWFC-NSHDSACASA-N 2 2 315.230 3.208 20 0 DGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2OC)CC[NH2+]1 ZINC001246075120 1104369713 /nfs/dbraw/zinc/36/97/13/1104369713.db2.gz HRROATWDFJTZPC-LSDHHAIUSA-N 2 2 312.404 3.374 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2OC)CC[NH2+]1 ZINC001246074979 1104370357 /nfs/dbraw/zinc/37/03/57/1104370357.db2.gz HRROATWDFJTZPC-CABCVRRESA-N 2 2 312.404 3.374 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cccc(Br)c2F)C[C@H](C)[NH2+]1 ZINC001246076683 1104371683 /nfs/dbraw/zinc/37/16/83/1104371683.db2.gz MXRKEXYSPTVWEQ-UWVGGRQHSA-N 2 2 315.230 3.207 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246077296 1104372402 /nfs/dbraw/zinc/37/24/02/1104372402.db2.gz SFNKHVCZYRKYPJ-QAPCUYQASA-N 2 2 300.833 3.487 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246097326 1104383564 /nfs/dbraw/zinc/38/35/64/1104383564.db2.gz NVCAPNFZZASYIR-BEVRRMAYSA-N 2 2 302.437 3.103 20 0 DGADLP CC[C@H]1CC[C@H](C2CCC([NH2+][C@H]3CCOC34C[NH2+]C4)CC2)CC1 ZINC001246127659 1104398721 /nfs/dbraw/zinc/39/87/21/1104398721.db2.gz OSOOQAVYIFPNNM-XUVGJJBRSA-N 2 2 320.521 3.482 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)C2 ZINC001246142825 1104404779 /nfs/dbraw/zinc/40/47/79/1104404779.db2.gz PGNDYVPMPCUEOB-AQNXPRMDSA-N 2 2 310.416 3.376 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2F)CC[NH2+]1 ZINC001246158419 1104409842 /nfs/dbraw/zinc/40/98/42/1104409842.db2.gz LJSNRTKEFLCQLD-DGCLKSJQSA-N 2 2 300.368 3.360 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246161916 1104411400 /nfs/dbraw/zinc/41/14/00/1104411400.db2.gz MCMGTYVMQHRTEY-RYUDHWBXSA-N 2 2 304.331 3.465 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246160612 1104411827 /nfs/dbraw/zinc/41/18/27/1104411827.db2.gz UYMGGGVHERRTKX-ROUUACIJSA-N 2 2 316.395 3.418 20 0 DGADLP CC(C)([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC001246175230 1104420717 /nfs/dbraw/zinc/42/07/17/1104420717.db2.gz IRXMMHSEXBJOFX-CQSZACIVSA-N 2 2 311.267 3.416 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C[C@H](C)[NH2+]1 ZINC001246195260 1104432616 /nfs/dbraw/zinc/43/26/16/1104432616.db2.gz LQYODONIECOBSA-DDFAGTSDSA-N 2 2 304.331 3.463 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2c(OC)cccc2OC)CC[NH2+]1 ZINC001246195781 1104434578 /nfs/dbraw/zinc/43/45/78/1104434578.db2.gz PPDXPTCWZHTZRT-CABCVRRESA-N 2 2 306.450 3.104 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246224239 1104446645 /nfs/dbraw/zinc/44/66/45/1104446645.db2.gz FTCKKHSNTXWUAC-LBPRGKRZSA-N 2 2 304.331 3.465 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1F ZINC001246228581 1104447714 /nfs/dbraw/zinc/44/77/14/1104447714.db2.gz YFLZILUYNMZVOE-SJORKVTESA-N 2 2 316.395 3.418 20 0 DGADLP C[C@H]1CC([NH2+]Cc2c(F)cccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246226389 1104447858 /nfs/dbraw/zinc/44/78/58/1104447858.db2.gz BPAWTTWHAFNDDG-UWVGGRQHSA-N 2 2 304.331 3.463 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246243996 1104455346 /nfs/dbraw/zinc/45/53/46/1104455346.db2.gz JNQLOSRBZWSFDF-YZGWKJHDSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243996 1104455353 /nfs/dbraw/zinc/45/53/53/1104455353.db2.gz JNQLOSRBZWSFDF-YZGWKJHDSA-N 3 2 315.505 3.161 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246269321 1104467435 /nfs/dbraw/zinc/46/74/35/1104467435.db2.gz QNNWTLVWUMININ-ABAIWWIYSA-N 2 2 302.796 3.484 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC001246277970 1104470941 /nfs/dbraw/zinc/47/09/41/1104470941.db2.gz IPJDSLKBARRXBI-DMDPSCGWSA-N 2 2 302.340 3.376 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246280297 1104472379 /nfs/dbraw/zinc/47/23/79/1104472379.db2.gz SSCHVIXGKFTPPP-QAPCUYQASA-N 2 2 302.368 3.112 20 0 DGADLP CCCCC[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001274752197 1104480055 /nfs/dbraw/zinc/48/00/55/1104480055.db2.gz VFEPKIFZCNZEQV-AWEZNQCLSA-N 2 2 305.466 3.295 20 0 DGADLP C[NH2+]CC[C@@H](C)[NH2+]C1(c2ccccc2Br)CCC1 ZINC001246360463 1104507635 /nfs/dbraw/zinc/50/76/35/1104507635.db2.gz GPZUUAGVJMKARN-GFCCVEGCSA-N 2 2 311.267 3.416 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H](CC2CCOCC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246454704 1104546252 /nfs/dbraw/zinc/54/62/52/1104546252.db2.gz FPZCOUSPAXRKCC-MDASCCDHSA-N 2 2 320.452 3.414 20 0 DGADLP COc1ccc(C2([NH2+][C@@H]3C[NH2+][C@@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246460629 1104548076 /nfs/dbraw/zinc/54/80/76/1104548076.db2.gz WAPUQXDHCLUSDH-ZFWWWQNUSA-N 2 2 324.415 3.440 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2Cc3cccc(Cl)c3C2)c1 ZINC001246513046 1104571644 /nfs/dbraw/zinc/57/16/44/1104571644.db2.gz UWBVLVUYWDEWFO-KBXCAEBGSA-N 2 2 316.832 3.105 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCc3c(C)cccc3C2)c1 ZINC001246511800 1104572198 /nfs/dbraw/zinc/57/21/98/1104572198.db2.gz RWRMITCHCBJPRD-XLIONFOSSA-N 2 2 310.441 3.151 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2Cc3cccc(Cl)c3C2)c1 ZINC001246513052 1104573036 /nfs/dbraw/zinc/57/30/36/1104573036.db2.gz UWBVLVUYWDEWFO-KDOFPFPSSA-N 2 2 316.832 3.105 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2COc3c2cccc3OC)CC[NH2+]1 ZINC001246517089 1104573742 /nfs/dbraw/zinc/57/37/42/1104573742.db2.gz ZOUWQHVPBWUBDF-IIAWOOMASA-N 2 2 304.434 3.029 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(C)(C)CC2)cc1 ZINC001246519062 1104575357 /nfs/dbraw/zinc/57/53/57/1104575357.db2.gz LZBWKGUQNUPSGV-INIZCTEOSA-N 2 2 304.434 3.031 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536884 1104581978 /nfs/dbraw/zinc/58/19/78/1104581978.db2.gz TZIQRZGDSQCDQB-PKOBYXMFSA-N 2 2 309.457 3.424 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536884 1104581991 /nfs/dbraw/zinc/58/19/91/1104581991.db2.gz TZIQRZGDSQCDQB-PKOBYXMFSA-N 2 2 309.457 3.424 20 0 DGADLP c1cc2n(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@@H]2c1ccccc1 ZINC001246537379 1104582070 /nfs/dbraw/zinc/58/20/70/1104582070.db2.gz WDAZINUUWKZIPQ-NHJHPMQKSA-N 2 2 307.441 3.176 20 0 DGADLP c1cc2n(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@@H]2c1ccccc1 ZINC001246537379 1104582074 /nfs/dbraw/zinc/58/20/74/1104582074.db2.gz WDAZINUUWKZIPQ-NHJHPMQKSA-N 2 2 307.441 3.176 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246541062 1104585117 /nfs/dbraw/zinc/58/51/17/1104585117.db2.gz LMEKPVSWBGGTNB-OALUTQOASA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541062 1104585125 /nfs/dbraw/zinc/58/51/25/1104585125.db2.gz LMEKPVSWBGGTNB-OALUTQOASA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541062 1104585131 /nfs/dbraw/zinc/58/51/31/1104585131.db2.gz LMEKPVSWBGGTNB-OALUTQOASA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541062 1104585138 /nfs/dbraw/zinc/58/51/38/1104585138.db2.gz LMEKPVSWBGGTNB-OALUTQOASA-N 3 2 315.505 3.243 20 0 DGADLP Brc1ccccc1[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC001246548900 1104588587 /nfs/dbraw/zinc/58/85/87/1104588587.db2.gz IHSAHSZRGDOYAS-HNNXBMFYSA-N 2 2 309.251 3.338 20 0 DGADLP Brc1ccccc1[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC001246548900 1104588593 /nfs/dbraw/zinc/58/85/93/1104588593.db2.gz IHSAHSZRGDOYAS-HNNXBMFYSA-N 2 2 309.251 3.338 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551040 1104590448 /nfs/dbraw/zinc/59/04/48/1104590448.db2.gz KAPHXLJOCKOYLZ-NZSAHSFTSA-N 3 2 319.468 3.131 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551040 1104590453 /nfs/dbraw/zinc/59/04/53/1104590453.db2.gz KAPHXLJOCKOYLZ-NZSAHSFTSA-N 3 2 319.468 3.131 20 0 DGADLP CC[C@H](C)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nccn3CC)(C1)CCC2 ZINC001275061720 1104600729 /nfs/dbraw/zinc/60/07/29/1104600729.db2.gz LBHWFJZTDLEZMM-YTQUADARSA-N 2 2 318.509 3.474 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCOC[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246580000 1104604764 /nfs/dbraw/zinc/60/47/64/1104604764.db2.gz DUVHETYKGRPDKF-YDZRNGNQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCOC[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246580000 1104604768 /nfs/dbraw/zinc/60/47/68/1104604768.db2.gz DUVHETYKGRPDKF-YDZRNGNQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC001330660875 1104610600 /nfs/dbraw/zinc/61/06/00/1104610600.db2.gz CYIZXCSMHVKHQX-UHFFFAOYSA-N 2 2 302.462 3.066 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001246616400 1104630077 /nfs/dbraw/zinc/63/00/77/1104630077.db2.gz BLDMVSJAWCDHSV-NYVOZVTQSA-N 2 2 318.464 3.424 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@H+]1Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001246616400 1104630079 /nfs/dbraw/zinc/63/00/79/1104630079.db2.gz BLDMVSJAWCDHSV-NYVOZVTQSA-N 2 2 318.464 3.424 20 0 DGADLP CCCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275126015 1104636219 /nfs/dbraw/zinc/63/62/19/1104636219.db2.gz PFPAFNIVICMRGS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275126015 1104636236 /nfs/dbraw/zinc/63/62/36/1104636236.db2.gz PFPAFNIVICMRGS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275126015 1104636244 /nfs/dbraw/zinc/63/62/44/1104636244.db2.gz PFPAFNIVICMRGS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP CCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275126015 1104636249 /nfs/dbraw/zinc/63/62/49/1104636249.db2.gz PFPAFNIVICMRGS-GOSISDBHSA-N 2 2 304.482 3.278 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630288 1104636871 /nfs/dbraw/zinc/63/68/71/1104636871.db2.gz ICJBKAYLTPELEO-SLFFLAALSA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630288 1104636878 /nfs/dbraw/zinc/63/68/78/1104636878.db2.gz ICJBKAYLTPELEO-SLFFLAALSA-N 3 2 313.489 3.088 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246641763 1104642035 /nfs/dbraw/zinc/64/20/35/1104642035.db2.gz XSNSCXQRVATMDJ-APHBMKBZSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246641763 1104642039 /nfs/dbraw/zinc/64/20/39/1104642039.db2.gz XSNSCXQRVATMDJ-APHBMKBZSA-N 2 2 311.256 3.287 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246657222 1104651291 /nfs/dbraw/zinc/65/12/91/1104651291.db2.gz GPCVSCNDSNQIMC-XNRPHZJLSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246657222 1104651299 /nfs/dbraw/zinc/65/12/99/1104651299.db2.gz GPCVSCNDSNQIMC-XNRPHZJLSA-N 2 2 323.278 3.064 20 0 DGADLP COc1ccc2cc(CC[C@@H](C)[N@@H+]3C[C@H]4CC[NH2+]C[C@H]43)ccc2c1 ZINC001246660499 1104652678 /nfs/dbraw/zinc/65/26/78/1104652678.db2.gz BYNRAFJIMDDVOY-QFIXIFRTSA-N 2 2 324.468 3.463 20 0 DGADLP COc1ccc2cc(CC[C@@H](C)[N@H+]3C[C@H]4CC[NH2+]C[C@H]43)ccc2c1 ZINC001246660499 1104652684 /nfs/dbraw/zinc/65/26/84/1104652684.db2.gz BYNRAFJIMDDVOY-QFIXIFRTSA-N 2 2 324.468 3.463 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246668368 1104655763 /nfs/dbraw/zinc/65/57/63/1104655763.db2.gz XSNSCXQRVATMDJ-WQVCFCJDSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246668368 1104655764 /nfs/dbraw/zinc/65/57/64/1104655764.db2.gz XSNSCXQRVATMDJ-WQVCFCJDSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1ccccc1OC1CC[NH+]([C@@H]2CCCC[NH2+]C2)CC1 ZINC001246776743 1104668870 /nfs/dbraw/zinc/66/88/70/1104668870.db2.gz DUBBZBBZOHIKCY-CQSZACIVSA-N 2 2 308.853 3.325 20 0 DGADLP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780348 1104670563 /nfs/dbraw/zinc/67/05/63/1104670563.db2.gz CQYYPVCTKBLZPI-UXHICEINSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCOc4ccccc4C3)CC[NH2+]2)cc1 ZINC001246780348 1104670566 /nfs/dbraw/zinc/67/05/66/1104670566.db2.gz CQYYPVCTKBLZPI-UXHICEINSA-N 2 2 322.452 3.244 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787753 1104674840 /nfs/dbraw/zinc/67/48/40/1104674840.db2.gz MRHTVZASLLQZKP-MSOLQXFVSA-N 2 2 322.880 3.463 20 0 DGADLP Clc1ccc(CO[C@H]2CCC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246787753 1104674844 /nfs/dbraw/zinc/67/48/44/1104674844.db2.gz MRHTVZASLLQZKP-MSOLQXFVSA-N 2 2 322.880 3.463 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798347 1104681070 /nfs/dbraw/zinc/68/10/70/1104681070.db2.gz SFLRDUZSKBWGBL-LTIDMASMSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246798347 1104681075 /nfs/dbraw/zinc/68/10/75/1104681075.db2.gz SFLRDUZSKBWGBL-LTIDMASMSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827343 1104694376 /nfs/dbraw/zinc/69/43/76/1104694376.db2.gz JKHKTHXPHDXYKQ-QLFBSQMISA-N 2 2 300.368 3.219 20 0 DGADLP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827343 1104694382 /nfs/dbraw/zinc/69/43/82/1104694382.db2.gz JKHKTHXPHDXYKQ-QLFBSQMISA-N 2 2 300.368 3.219 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842687 1104703167 /nfs/dbraw/zinc/70/31/67/1104703167.db2.gz UPBVMAOJPHTUDB-HKUYNNGSSA-N 2 2 302.462 3.073 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@H]3CC[NH2+]C(C)(C)C3)CCO2)cc1 ZINC001246842687 1104703171 /nfs/dbraw/zinc/70/31/71/1104703171.db2.gz UPBVMAOJPHTUDB-HKUYNNGSSA-N 2 2 302.462 3.073 20 0 DGADLP Clc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849050 1104707301 /nfs/dbraw/zinc/70/73/01/1104707301.db2.gz DLIBXWXXIWWLSJ-NVXWUHKLSA-N 2 2 308.853 3.325 20 0 DGADLP Clc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849050 1104707309 /nfs/dbraw/zinc/70/73/09/1104707309.db2.gz DLIBXWXXIWWLSJ-NVXWUHKLSA-N 2 2 308.853 3.325 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911489 1104733635 /nfs/dbraw/zinc/73/36/35/1104733635.db2.gz BYWFKJQIVYAEBO-GUDVDZBRSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911489 1104733640 /nfs/dbraw/zinc/73/36/40/1104733640.db2.gz BYWFKJQIVYAEBO-GUDVDZBRSA-N 2 2 316.489 3.097 20 0 DGADLP Fc1ccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246936234 1104743277 /nfs/dbraw/zinc/74/32/77/1104743277.db2.gz MWGFSGAGUUEOQC-SJORKVTESA-N 2 2 308.466 3.275 20 0 DGADLP Fc1ccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246936234 1104743282 /nfs/dbraw/zinc/74/32/82/1104743282.db2.gz MWGFSGAGUUEOQC-SJORKVTESA-N 2 2 308.466 3.275 20 0 DGADLP C[C@H]1C[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246953016 1104751749 /nfs/dbraw/zinc/75/17/49/1104751749.db2.gz OHUCLGCVWAIEIZ-OGWHTMIXSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246953016 1104751755 /nfs/dbraw/zinc/75/17/55/1104751755.db2.gz OHUCLGCVWAIEIZ-OGWHTMIXSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246958060 1104752230 /nfs/dbraw/zinc/75/22/30/1104752230.db2.gz BSJDXYKFYXGENZ-NEPXVJNWSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246958060 1104752238 /nfs/dbraw/zinc/75/22/38/1104752238.db2.gz BSJDXYKFYXGENZ-NEPXVJNWSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246958191 1104752844 /nfs/dbraw/zinc/75/28/44/1104752844.db2.gz CBGUDGOCGQVING-BQFCYCMXSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246958191 1104752847 /nfs/dbraw/zinc/75/28/47/1104752847.db2.gz CBGUDGOCGQVING-BQFCYCMXSA-N 2 2 301.478 3.460 20 0 DGADLP C1C[C@@H]([N@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)C[NH2+]1 ZINC001246975286 1104758079 /nfs/dbraw/zinc/75/80/79/1104758079.db2.gz BQDZTEAFQUTTOV-IOJLRTSASA-N 3 2 319.537 3.295 20 0 DGADLP C1C[C@@H]([N@@H+](C2CCCCC2)C2CCC3(CCC[NH2+]C3)CC2)C[NH2+]1 ZINC001246975286 1104758080 /nfs/dbraw/zinc/75/80/80/1104758080.db2.gz BQDZTEAFQUTTOV-IOJLRTSASA-N 3 2 319.537 3.295 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988459 1104765416 /nfs/dbraw/zinc/76/54/16/1104765416.db2.gz HLQBQVVAEPMHKK-LPHOPBHVSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C2CC[NH2+]CC2)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001246988459 1104765421 /nfs/dbraw/zinc/76/54/21/1104765421.db2.gz HLQBQVVAEPMHKK-LPHOPBHVSA-N 3 2 321.553 3.349 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)C2C[C@@H](CC)[NH2+][C@H](CC)C2)CC1 ZINC001246994362 1104767276 /nfs/dbraw/zinc/76/72/76/1104767276.db2.gz PGWRYPQPIKCKOV-IAGOWNOFSA-N 3 2 309.542 3.492 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)C2C[C@@H](CC)[NH2+][C@H](CC)C2)CC1 ZINC001246994362 1104767281 /nfs/dbraw/zinc/76/72/81/1104767281.db2.gz PGWRYPQPIKCKOV-IAGOWNOFSA-N 3 2 309.542 3.492 20 0 DGADLP C[NH2+]CC[C@H](C)[N@@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001247002137 1104772505 /nfs/dbraw/zinc/77/25/05/1104772505.db2.gz JZVDOAQNLWDEDM-RYUDHWBXSA-N 2 2 311.267 3.194 20 0 DGADLP C[NH2+]CC[C@H](C)[N@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001247002137 1104772509 /nfs/dbraw/zinc/77/25/09/1104772509.db2.gz JZVDOAQNLWDEDM-RYUDHWBXSA-N 2 2 311.267 3.194 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)[NH2+]Cc1ccccc13)C2 ZINC001247016813 1104780384 /nfs/dbraw/zinc/78/03/84/1104780384.db2.gz YACUYEQYCMWHJA-KRWDZBQOSA-N 2 2 322.427 3.387 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)c1nc2cc(-n3cc[nH+]c3)c(F)cc2[nH]1 ZINC001247021524 1104780920 /nfs/dbraw/zinc/78/09/20/1104780920.db2.gz QNLNHXLALPVGBL-CQSZACIVSA-N 2 2 321.359 3.130 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852544 1104932254 /nfs/dbraw/zinc/93/22/54/1104932254.db2.gz BRFJFZDQANGJHQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852544 1104932257 /nfs/dbraw/zinc/93/22/57/1104932257.db2.gz BRFJFZDQANGJHQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852544 1104932261 /nfs/dbraw/zinc/93/22/61/1104932261.db2.gz BRFJFZDQANGJHQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cn1 ZINC001275852544 1104932264 /nfs/dbraw/zinc/93/22/64/1104932264.db2.gz BRFJFZDQANGJHQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP c1c[nH]c(C[NH+]2CCCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001275853412 1104933325 /nfs/dbraw/zinc/93/33/25/1104933325.db2.gz PMMSJOPXMGRPSA-UHFFFAOYSA-N 2 2 312.461 3.221 20 0 DGADLP c1c[nH]c(C[NH+]2CCCC3(CCC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001275853412 1104933329 /nfs/dbraw/zinc/93/33/29/1104933329.db2.gz PMMSJOPXMGRPSA-UHFFFAOYSA-N 2 2 312.461 3.221 20 0 DGADLP CC1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CCC([NH3+])CC1 ZINC001247639128 1104947547 /nfs/dbraw/zinc/94/75/47/1104947547.db2.gz PPLHILNEXVWBQF-UHFFFAOYSA-N 2 2 323.400 3.081 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275898716 1104947629 /nfs/dbraw/zinc/94/76/29/1104947629.db2.gz HHBJJFBVNPOGKY-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1O ZINC001275898716 1104947634 /nfs/dbraw/zinc/94/76/34/1104947634.db2.gz HHBJJFBVNPOGKY-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)ccc1O ZINC001275898716 1104947639 /nfs/dbraw/zinc/94/76/39/1104947639.db2.gz HHBJJFBVNPOGKY-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)ccc1O ZINC001275898716 1104947645 /nfs/dbraw/zinc/94/76/45/1104947645.db2.gz HHBJJFBVNPOGKY-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3cccc4ccoc43)no2)cc1 ZINC001247698162 1104958869 /nfs/dbraw/zinc/95/88/69/1104958869.db2.gz JKTVGYXAYMHAAJ-OAHLLOKOSA-N 2 2 320.352 3.108 20 0 DGADLP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnoc1 ZINC001276253868 1105063523 /nfs/dbraw/zinc/06/35/23/1105063523.db2.gz NTRITDUMUPGLNQ-AGUYFDCRSA-N 2 2 317.355 3.102 20 0 DGADLP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnoc1 ZINC001276253868 1105063531 /nfs/dbraw/zinc/06/35/31/1105063531.db2.gz NTRITDUMUPGLNQ-AGUYFDCRSA-N 2 2 317.355 3.102 20 0 DGADLP CN(C)c1ccc[nH+]c1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001248411562 1105111145 /nfs/dbraw/zinc/11/11/45/1105111145.db2.gz ZHNZEPFINKPQER-UHFFFAOYSA-N 2 2 314.433 3.222 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cn2ccnc12 ZINC001248455999 1105115942 /nfs/dbraw/zinc/11/59/42/1105115942.db2.gz QMZXJTXCJHELRX-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cn2ccnc12 ZINC001248455999 1105115945 /nfs/dbraw/zinc/11/59/45/1105115945.db2.gz QMZXJTXCJHELRX-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP COCC[N@H+](Cc1c2ccoc2ccc1F)C1CC[NH+](C)CC1 ZINC001248539645 1105124676 /nfs/dbraw/zinc/12/46/76/1105124676.db2.gz RFIRLBDMOBBEKL-UHFFFAOYSA-N 2 2 320.408 3.115 20 0 DGADLP COCC[N@@H+](Cc1c2ccoc2ccc1F)C1CC[NH+](C)CC1 ZINC001248539645 1105124679 /nfs/dbraw/zinc/12/46/79/1105124679.db2.gz RFIRLBDMOBBEKL-UHFFFAOYSA-N 2 2 320.408 3.115 20 0 DGADLP c1cn(-c2ccc(-c3noc([C@H]4CCCCC[NH2+]4)n3)cc2)c[nH+]1 ZINC001249189819 1105242877 /nfs/dbraw/zinc/24/28/77/1105242877.db2.gz PQVUVHTUSGGSLN-OAHLLOKOSA-N 2 2 309.373 3.127 20 0 DGADLP c1cn(-c2ccccc2NC2=CC[C@@H]([NH+]3CCOCC3)CC2)c[nH+]1 ZINC001249557490 1105313287 /nfs/dbraw/zinc/31/32/87/1105313287.db2.gz ZJDGMANDNJNBBB-QGZVFWFLSA-N 2 2 324.428 3.053 20 0 DGADLP c1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137348684 1105494604 /nfs/dbraw/zinc/49/46/04/1105494604.db2.gz JSZRRHZRTDHWNS-INIZCTEOSA-N 2 2 312.461 3.403 20 0 DGADLP c1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137348684 1105494606 /nfs/dbraw/zinc/49/46/06/1105494606.db2.gz JSZRRHZRTDHWNS-INIZCTEOSA-N 2 2 312.461 3.403 20 0 DGADLP C[N@H+](Cc1c[nH]c2ncccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137404518 1105515499 /nfs/dbraw/zinc/51/54/99/1105515499.db2.gz LVYBPGFSTAMJBG-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1c[nH]c2ncccc12)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001137404518 1105515505 /nfs/dbraw/zinc/51/55/05/1105515505.db2.gz LVYBPGFSTAMJBG-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccnc(C)c4)C[C@H]3C2)cc1 ZINC001137409893 1105517726 /nfs/dbraw/zinc/51/77/26/1105517726.db2.gz LNRBMAMKFDTLRJ-NHCUHLMSSA-N 2 2 321.468 3.262 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)cn1 ZINC001206583347 1105524474 /nfs/dbraw/zinc/52/44/74/1105524474.db2.gz SUZLAVAVPQXVHZ-MRXNPFEDSA-N 2 2 311.857 3.085 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)cn1 ZINC001206583347 1105524480 /nfs/dbraw/zinc/52/44/80/1105524480.db2.gz SUZLAVAVPQXVHZ-MRXNPFEDSA-N 2 2 311.857 3.085 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1OC ZINC001255941851 1105689271 /nfs/dbraw/zinc/68/92/71/1105689271.db2.gz YBWBIPHMEIUQFM-LBPRGKRZSA-N 2 2 300.393 3.183 20 0 DGADLP CCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001252117077 1105743683 /nfs/dbraw/zinc/74/36/83/1105743683.db2.gz BQZRCSTUPIGUFI-LJQANCHMSA-N 2 2 322.468 3.239 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC001252859156 1105845031 /nfs/dbraw/zinc/84/50/31/1105845031.db2.gz BCYSVWKZLHTYIE-RBUKOAKNSA-N 2 2 316.420 3.142 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC001253211903 1105903764 /nfs/dbraw/zinc/90/37/64/1105903764.db2.gz ZQDMOMZWYJWLDB-SFHVURJKSA-N 2 2 318.486 3.207 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@H](O)C(C)(C)C)CC1 ZINC001253732870 1105976358 /nfs/dbraw/zinc/97/63/58/1105976358.db2.gz QBGJKWMWIDIXLB-SFHVURJKSA-N 2 2 322.468 3.129 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@H](O)C(C)(C)C)CC1 ZINC001253732870 1105976360 /nfs/dbraw/zinc/97/63/60/1105976360.db2.gz QBGJKWMWIDIXLB-SFHVURJKSA-N 2 2 322.468 3.129 20 0 DGADLP CCCc1nnc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)o1 ZINC001254037601 1106011769 /nfs/dbraw/zinc/01/17/69/1106011769.db2.gz KELXFCZANSBAPN-UHFFFAOYSA-N 2 2 316.449 3.073 20 0 DGADLP CCCc1nnc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)o1 ZINC001254037601 1106011774 /nfs/dbraw/zinc/01/17/74/1106011774.db2.gz KELXFCZANSBAPN-UHFFFAOYSA-N 2 2 316.449 3.073 20 0 DGADLP CC[NH+]([C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254526978 1106093415 /nfs/dbraw/zinc/09/34/15/1106093415.db2.gz VBCIPXHMXWXDIR-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP CC[NH+]([C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254526978 1106093420 /nfs/dbraw/zinc/09/34/20/1106093420.db2.gz VBCIPXHMXWXDIR-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528602 1106094190 /nfs/dbraw/zinc/09/41/90/1106094190.db2.gz HMWHXRPNLWGOPK-ROUUACIJSA-N 2 2 322.880 3.372 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528602 1106094196 /nfs/dbraw/zinc/09/41/96/1106094196.db2.gz HMWHXRPNLWGOPK-ROUUACIJSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528602 1106094200 /nfs/dbraw/zinc/09/42/00/1106094200.db2.gz HMWHXRPNLWGOPK-ROUUACIJSA-N 2 2 322.880 3.372 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001254528602 1106094206 /nfs/dbraw/zinc/09/42/06/1106094206.db2.gz HMWHXRPNLWGOPK-ROUUACIJSA-N 2 2 322.880 3.372 20 0 DGADLP CC(C)Oc1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254840151 1106146718 /nfs/dbraw/zinc/14/67/18/1106146718.db2.gz COENGEYAPVTLST-SFHVURJKSA-N 2 2 302.462 3.090 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254848366 1106147986 /nfs/dbraw/zinc/14/79/86/1106147986.db2.gz PFJKFHRNSQUKHO-ROUUACIJSA-N 2 2 304.865 3.271 20 0 DGADLP C([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1(CC2CCC2)CCOCC1 ZINC001254848468 1106148967 /nfs/dbraw/zinc/14/89/67/1106148967.db2.gz QUQMPOJXDFWSTH-GOSISDBHSA-N 2 2 306.494 3.047 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC001255274882 1106214029 /nfs/dbraw/zinc/21/40/29/1106214029.db2.gz RACSDRPANIVOLW-QGZVFWFLSA-N 2 2 308.466 3.194 20 0 DGADLP C1=C2CCC[N@@H+]([C@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001255294964 1106217231 /nfs/dbraw/zinc/21/72/31/1106217231.db2.gz QGLXGZHDIDQYGQ-ZWJWXYIHSA-N 2 2 318.530 3.387 20 0 DGADLP C1=C2CCC[N@H+]([C@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001255294964 1106217233 /nfs/dbraw/zinc/21/72/33/1106217233.db2.gz QGLXGZHDIDQYGQ-ZWJWXYIHSA-N 2 2 318.530 3.387 20 0 DGADLP C1=C2CCC[NH+]([C@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001255294964 1106217236 /nfs/dbraw/zinc/21/72/36/1106217236.db2.gz QGLXGZHDIDQYGQ-ZWJWXYIHSA-N 2 2 318.530 3.387 20 0 DGADLP C1=C2CCC[NH+]([C@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001255294964 1106217240 /nfs/dbraw/zinc/21/72/40/1106217240.db2.gz QGLXGZHDIDQYGQ-ZWJWXYIHSA-N 2 2 318.530 3.387 20 0 DGADLP Fc1ncccc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255386455 1106237547 /nfs/dbraw/zinc/23/75/47/1106237547.db2.gz MWOKCSRUHMNTIR-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ncccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386455 1106237553 /nfs/dbraw/zinc/23/75/53/1106237553.db2.gz MWOKCSRUHMNTIR-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP Cc1ccc(N([C@@H](C)CC(F)(F)F)C2CC[NH2+]CC2)[nH+]c1 ZINC001255662041 1106289570 /nfs/dbraw/zinc/28/95/70/1106289570.db2.gz FJKAGGMFKMWYRE-LBPRGKRZSA-N 2 2 301.356 3.289 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255671742 1106291058 /nfs/dbraw/zinc/29/10/58/1106291058.db2.gz PEIUDAQJUYJPIB-BLMTVLTRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255671742 1106291060 /nfs/dbraw/zinc/29/10/60/1106291060.db2.gz PEIUDAQJUYJPIB-BLMTVLTRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255671742 1106291063 /nfs/dbraw/zinc/29/10/63/1106291063.db2.gz PEIUDAQJUYJPIB-BLMTVLTRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671742 1106291067 /nfs/dbraw/zinc/29/10/67/1106291067.db2.gz PEIUDAQJUYJPIB-BLMTVLTRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001255740702 1106306398 /nfs/dbraw/zinc/30/63/98/1106306398.db2.gz PKKQNWQQMQVHBD-CYBMUJFWSA-N 2 2 306.406 3.370 20 0 DGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256072726 1106365110 /nfs/dbraw/zinc/36/51/10/1106365110.db2.gz VCXGCZTYICBXEU-UHFFFAOYSA-N 2 2 318.436 3.048 20 0 DGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c(C)c1 ZINC001256078937 1106366825 /nfs/dbraw/zinc/36/68/25/1106366825.db2.gz GKBCYZZBPMZJKI-UHFFFAOYSA-N 2 2 313.489 3.052 20 0 DGADLP COc1cccc(C[C@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])c1 ZINC001256156283 1106380868 /nfs/dbraw/zinc/38/08/68/1106380868.db2.gz QIQYNQPFWQVRHW-HNAYVOBHSA-N 2 2 310.441 3.012 20 0 DGADLP COc1cccc(C[C@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])c1 ZINC001256156283 1106380872 /nfs/dbraw/zinc/38/08/72/1106380872.db2.gz QIQYNQPFWQVRHW-HNAYVOBHSA-N 2 2 310.441 3.012 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001256364684 1106409911 /nfs/dbraw/zinc/40/99/11/1106409911.db2.gz UMZHNGZTORHZBG-QXAKKESOSA-N 2 2 301.478 3.270 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256551097 1106440411 /nfs/dbraw/zinc/44/04/11/1106440411.db2.gz PMYYFMTVHRIRQG-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256551097 1106440413 /nfs/dbraw/zinc/44/04/13/1106440413.db2.gz PMYYFMTVHRIRQG-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551097 1106440415 /nfs/dbraw/zinc/44/04/15/1106440415.db2.gz PMYYFMTVHRIRQG-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001256551097 1106440418 /nfs/dbraw/zinc/44/04/18/1106440418.db2.gz PMYYFMTVHRIRQG-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP COc1ncccc1[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001256567242 1106446526 /nfs/dbraw/zinc/44/65/26/1106446526.db2.gz RKKQQOFKCYCUIU-KRWDZBQOSA-N 2 2 317.477 3.394 20 0 DGADLP Cc1ccc(C)c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001256578142 1106449135 /nfs/dbraw/zinc/44/91/35/1106449135.db2.gz FUDSNFVOIGMTQN-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]CC3Oc4ccccc4O3)CC2)cc1 ZINC001256600855 1106451508 /nfs/dbraw/zinc/45/15/08/1106451508.db2.gz IANRQJVABLSEMO-UHFFFAOYSA-N 2 2 324.424 3.038 20 0 DGADLP C[C@](CO)([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001256601665 1106452096 /nfs/dbraw/zinc/45/20/96/1106452096.db2.gz WASLSIXWOVSDOH-OAQYLSRUSA-N 2 2 324.468 3.148 20 0 DGADLP Oc1ccc2c(c1)CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605376 1106452472 /nfs/dbraw/zinc/45/24/72/1106452472.db2.gz FIQAZSYTONHPMB-UHFFFAOYSA-N 2 2 322.452 3.415 20 0 DGADLP Oc1ccc2c(c1)CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605376 1106452476 /nfs/dbraw/zinc/45/24/76/1106452476.db2.gz FIQAZSYTONHPMB-UHFFFAOYSA-N 2 2 322.452 3.415 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001256629138 1106456640 /nfs/dbraw/zinc/45/66/40/1106456640.db2.gz YWWGFXNDTOCQBS-XNMUZJSGSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001256629138 1106456641 /nfs/dbraw/zinc/45/66/41/1106456641.db2.gz YWWGFXNDTOCQBS-XNMUZJSGSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001256629138 1106456643 /nfs/dbraw/zinc/45/66/43/1106456643.db2.gz YWWGFXNDTOCQBS-XNMUZJSGSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001256629138 1106456645 /nfs/dbraw/zinc/45/66/45/1106456645.db2.gz YWWGFXNDTOCQBS-XNMUZJSGSA-N 2 2 314.473 3.168 20 0 DGADLP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001256630706 1106457034 /nfs/dbraw/zinc/45/70/34/1106457034.db2.gz IKEQBCHPRZWCKH-KEVQOFRZSA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001256630706 1106457037 /nfs/dbraw/zinc/45/70/37/1106457037.db2.gz IKEQBCHPRZWCKH-KEVQOFRZSA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001256630706 1106457043 /nfs/dbraw/zinc/45/70/43/1106457043.db2.gz IKEQBCHPRZWCKH-KEVQOFRZSA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001256630706 1106457045 /nfs/dbraw/zinc/45/70/45/1106457045.db2.gz IKEQBCHPRZWCKH-KEVQOFRZSA-N 2 2 300.446 3.074 20 0 DGADLP CCC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001256870979 1106501154 /nfs/dbraw/zinc/50/11/54/1106501154.db2.gz DMNVPBGXRWTATQ-RTRUNKLESA-N 2 2 313.489 3.414 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(F)cn1 ZINC001256907029 1106508031 /nfs/dbraw/zinc/50/80/31/1106508031.db2.gz XJJYYHXNMUKQJN-INIZCTEOSA-N 2 2 319.468 3.495 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(F)cn1 ZINC001256907029 1106508033 /nfs/dbraw/zinc/50/80/33/1106508033.db2.gz XJJYYHXNMUKQJN-INIZCTEOSA-N 2 2 319.468 3.495 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C2(c3ccccc3F)CCOCC2)CC1 ZINC001257211109 1106551511 /nfs/dbraw/zinc/55/15/11/1106551511.db2.gz BVSGFMWCZMYOGE-UHFFFAOYSA-N 2 2 320.452 3.294 20 0 DGADLP CCC[C@H](CC)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001257260706 1106558490 /nfs/dbraw/zinc/55/84/90/1106558490.db2.gz ROJGMMDQGRYWLQ-KRWDZBQOSA-N 2 2 317.477 3.332 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257510281 1106600420 /nfs/dbraw/zinc/60/04/20/1106600420.db2.gz NNSNFKOCERFFFC-BZSNNMDCSA-N 2 2 301.478 3.414 20 0 DGADLP c1ccc(COC2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC001257817945 1106630985 /nfs/dbraw/zinc/63/09/85/1106630985.db2.gz CADUIHXRIUQTCY-UHFFFAOYSA-N 2 2 302.462 3.200 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001258008185 1106657454 /nfs/dbraw/zinc/65/74/54/1106657454.db2.gz JSBKNILSFNWSBP-UHFFFAOYSA-N 3 2 309.542 3.207 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258011121 1106658150 /nfs/dbraw/zinc/65/81/50/1106658150.db2.gz IXJOOQKXJJIGPE-UHFFFAOYSA-N 2 2 302.462 3.174 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258011121 1106658154 /nfs/dbraw/zinc/65/81/54/1106658154.db2.gz IXJOOQKXJJIGPE-UHFFFAOYSA-N 2 2 302.462 3.174 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+]COc3ccccc3)CC2)cc1 ZINC001258136528 1106679808 /nfs/dbraw/zinc/67/98/08/1106679808.db2.gz NQOAOUHNJUNWRQ-UHFFFAOYSA-N 2 2 310.441 3.320 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH+]3CC(c4cccnc4)C3)CC2)cc1 ZINC001258147559 1106681121 /nfs/dbraw/zinc/68/11/21/1106681121.db2.gz NJIFNSMUFNJMRT-UHFFFAOYSA-N 2 2 321.468 3.188 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)CCSC)CC2)c1 ZINC001258206612 1106696341 /nfs/dbraw/zinc/69/63/41/1106696341.db2.gz KWSZCRNOPZPPLI-OAHLLOKOSA-N 2 2 322.518 3.391 20 0 DGADLP COc1ccc(CC[C@@H](C)n2c(C)[nH+]c3c2CC[NH2+]CC3)cc1 ZINC001258400989 1106731148 /nfs/dbraw/zinc/73/11/48/1106731148.db2.gz KYHXRJWHDRKPSR-CQSZACIVSA-N 2 2 313.445 3.082 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)CC3CC3)CC2)c1 ZINC001258453951 1106752605 /nfs/dbraw/zinc/75/26/05/1106752605.db2.gz HLRODGRSNROKCC-OAHLLOKOSA-N 2 2 302.462 3.438 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001258467448 1106764703 /nfs/dbraw/zinc/76/47/03/1106764703.db2.gz ZCECNEHXLFLGEG-MRXNPFEDSA-N 2 2 316.493 3.039 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001258467448 1106764715 /nfs/dbraw/zinc/76/47/15/1106764715.db2.gz ZCECNEHXLFLGEG-MRXNPFEDSA-N 2 2 316.493 3.039 20 0 DGADLP CC1CC[NH+](CC[NH2+]C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258517204 1106790935 /nfs/dbraw/zinc/79/09/35/1106790935.db2.gz MNTNHEXGFADRDU-UHFFFAOYSA-N 2 2 324.509 3.020 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CCC(C)(C)C1)CC2 ZINC001258601326 1106839144 /nfs/dbraw/zinc/83/91/44/1106839144.db2.gz UVHXYFPHMQXBTC-HNNXBMFYSA-N 2 2 318.509 3.462 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CCC(C)(C)C1)CC2 ZINC001258601326 1106839153 /nfs/dbraw/zinc/83/91/53/1106839153.db2.gz UVHXYFPHMQXBTC-HNNXBMFYSA-N 2 2 318.509 3.462 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258659020 1106884986 /nfs/dbraw/zinc/88/49/86/1106884986.db2.gz MUUBVZZHUKVSNX-HXUWFJFHSA-N 2 2 318.505 3.440 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258659020 1106884996 /nfs/dbraw/zinc/88/49/96/1106884996.db2.gz MUUBVZZHUKVSNX-HXUWFJFHSA-N 2 2 318.505 3.440 20 0 DGADLP CCC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001320237418 1106936908 /nfs/dbraw/zinc/93/69/08/1106936908.db2.gz OENNRASHEMRKEM-OALUTQOASA-N 2 2 319.468 3.035 20 0 DGADLP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC001320237418 1106936926 /nfs/dbraw/zinc/93/69/26/1106936926.db2.gz OENNRASHEMRKEM-OALUTQOASA-N 2 2 319.468 3.035 20 0 DGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317058820 1106955089 /nfs/dbraw/zinc/95/50/89/1106955089.db2.gz FVOBYZGECFYICW-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Cl)CC1 ZINC001258769116 1106964398 /nfs/dbraw/zinc/96/43/98/1106964398.db2.gz ACLJBNDEVCLIRQ-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001258768638 1106964736 /nfs/dbraw/zinc/96/47/36/1106964736.db2.gz UTYQQJANZARAMG-UHFFFAOYSA-N 2 2 301.356 3.064 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C)cc3C)CC2)CC1 ZINC001258775638 1106966502 /nfs/dbraw/zinc/96/65/02/1106966502.db2.gz XETMCXNXLHKIBU-UHFFFAOYSA-N 2 2 315.505 3.300 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3C)CC2)CC1 ZINC001258776387 1106971613 /nfs/dbraw/zinc/97/16/13/1106971613.db2.gz AMVNYJXMGYWYEL-UHFFFAOYSA-N 2 2 319.468 3.131 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnc3ccccn23)[nH+]1 ZINC001320497720 1107027826 /nfs/dbraw/zinc/02/78/26/1107027826.db2.gz LIBAIDBLKYXGLF-MRXNPFEDSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnc3ccccn23)[nH+]1 ZINC001320497720 1107027839 /nfs/dbraw/zinc/02/78/39/1107027839.db2.gz LIBAIDBLKYXGLF-MRXNPFEDSA-N 2 2 321.428 3.114 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001258880219 1107033473 /nfs/dbraw/zinc/03/34/73/1107033473.db2.gz AJYONERUFFYBRW-IRXDYDNUSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258884818 1107038926 /nfs/dbraw/zinc/03/89/26/1107038926.db2.gz QHAMVIWZKIWFBY-KXBFYZLASA-N 2 2 310.441 3.012 20 0 DGADLP COc1ccccc1C[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258884818 1107038939 /nfs/dbraw/zinc/03/89/39/1107038939.db2.gz QHAMVIWZKIWFBY-KXBFYZLASA-N 2 2 310.441 3.012 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001320535725 1107044913 /nfs/dbraw/zinc/04/49/13/1107044913.db2.gz MMYWZKIQEVLEKA-KBPBESRZSA-N 2 2 307.869 3.122 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001320535725 1107044926 /nfs/dbraw/zinc/04/49/26/1107044926.db2.gz MMYWZKIQEVLEKA-KBPBESRZSA-N 2 2 307.869 3.122 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1F ZINC001474756001 1107273820 /nfs/dbraw/zinc/27/38/20/1107273820.db2.gz XUOBVKIHAVUAFL-UHFFFAOYSA-N 2 2 317.408 3.338 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001317455091 1107402248 /nfs/dbraw/zinc/40/22/48/1107402248.db2.gz IFWRKKFFJSYYLV-CQSZACIVSA-N 2 2 319.493 3.351 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001317455091 1107402254 /nfs/dbraw/zinc/40/22/54/1107402254.db2.gz IFWRKKFFJSYYLV-CQSZACIVSA-N 2 2 319.493 3.351 20 0 DGADLP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321894846 1107457810 /nfs/dbraw/zinc/45/78/10/1107457810.db2.gz CQRCFKGLJFWOCK-GJBLVYBDSA-N 2 2 314.433 3.017 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC001262364897 1107695556 /nfs/dbraw/zinc/69/55/56/1107695556.db2.gz LRRFPQBFZMPHHI-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC001262364897 1107695559 /nfs/dbraw/zinc/69/55/59/1107695559.db2.gz LRRFPQBFZMPHHI-INIZCTEOSA-N 2 2 313.445 3.192 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520216 1107996793 /nfs/dbraw/zinc/99/67/93/1107996793.db2.gz JTHLCPVTWOOJIT-YOEHRIQHSA-N 2 2 306.425 3.061 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520216 1107996798 /nfs/dbraw/zinc/99/67/98/1107996798.db2.gz JTHLCPVTWOOJIT-YOEHRIQHSA-N 2 2 306.425 3.061 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520216 1107996802 /nfs/dbraw/zinc/99/68/02/1107996802.db2.gz JTHLCPVTWOOJIT-YOEHRIQHSA-N 2 2 306.425 3.061 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC001323520216 1107996807 /nfs/dbraw/zinc/99/68/07/1107996807.db2.gz JTHLCPVTWOOJIT-YOEHRIQHSA-N 2 2 306.425 3.061 20 0 DGADLP CCOC(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000379639669 1108034591 /nfs/dbraw/zinc/03/45/91/1108034591.db2.gz AXXJDACQDKMPJR-WMZOPIPTSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000379639669 1108034607 /nfs/dbraw/zinc/03/46/07/1108034607.db2.gz AXXJDACQDKMPJR-WMZOPIPTSA-N 2 2 320.477 3.028 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cnc1Cl ZINC001323890021 1108115516 /nfs/dbraw/zinc/11/55/16/1108115516.db2.gz XHQNOTZENLKQSH-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cnc1Cl ZINC001323890021 1108115524 /nfs/dbraw/zinc/11/55/24/1108115524.db2.gz XHQNOTZENLKQSH-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000386422015 1108444765 /nfs/dbraw/zinc/44/47/65/1108444765.db2.gz PLKZZWYHIHQJQU-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000386422015 1108444772 /nfs/dbraw/zinc/44/47/72/1108444772.db2.gz PLKZZWYHIHQJQU-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001325232372 1108602753 /nfs/dbraw/zinc/60/27/53/1108602753.db2.gz LLXXQQHISBWXNM-SJORKVTESA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001325232372 1108602758 /nfs/dbraw/zinc/60/27/58/1108602758.db2.gz LLXXQQHISBWXNM-SJORKVTESA-N 2 2 317.477 3.166 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001618931631 1193754556 /nfs/dbraw/zinc/75/45/56/1193754556.db2.gz LVUMBCVMHYUBEM-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001618931631 1193754558 /nfs/dbraw/zinc/75/45/58/1193754558.db2.gz LVUMBCVMHYUBEM-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000393401328 1109007114 /nfs/dbraw/zinc/00/71/14/1109007114.db2.gz XUOVAVHQIKZXMD-SFHVURJKSA-N 2 2 323.444 3.273 20 0 DGADLP CCN(CCC[NH+]1CCCC1)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001307097428 1110276536 /nfs/dbraw/zinc/27/65/36/1110276536.db2.gz VRACNBQDIBQUJX-UHFFFAOYSA-N 2 2 302.466 3.365 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547108 1111313906 /nfs/dbraw/zinc/31/39/06/1111313906.db2.gz PZLMBSKBPGMHCK-HZPDHXFCSA-N 2 2 303.450 3.186 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCCC34CCOCC4)C2)[nH]1 ZINC001307547108 1111313912 /nfs/dbraw/zinc/31/39/12/1111313912.db2.gz PZLMBSKBPGMHCK-HZPDHXFCSA-N 2 2 303.450 3.186 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC001308181035 1111392230 /nfs/dbraw/zinc/39/22/30/1111392230.db2.gz WMQFIZWTSPDEQM-UHFFFAOYSA-N 2 2 307.488 3.446 20 0 DGADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC001308233710 1111401966 /nfs/dbraw/zinc/40/19/66/1111401966.db2.gz IDJBCNRDXOYZJF-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308289949 1111411342 /nfs/dbraw/zinc/41/13/42/1111411342.db2.gz FOGXBDUMWDBNTD-RHSMWYFYSA-N 2 2 319.474 3.475 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001308378746 1111423647 /nfs/dbraw/zinc/42/36/47/1111423647.db2.gz OKFWLMCAFYOIMT-CQSZACIVSA-N 2 2 305.809 3.040 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CCC1 ZINC001308696543 1111462347 /nfs/dbraw/zinc/46/23/47/1111462347.db2.gz RUDVJTCXVMEONQ-SJORKVTESA-N 2 2 302.462 3.306 20 0 DGADLP CCC[N@H+](C)[C@@H](CN[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759430 1111471801 /nfs/dbraw/zinc/47/18/01/1111471801.db2.gz DCJUECRQWMXVIZ-ROUUACIJSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[N@@H+](C)[C@@H](CN[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC001308759430 1111471805 /nfs/dbraw/zinc/47/18/05/1111471805.db2.gz DCJUECRQWMXVIZ-ROUUACIJSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@@H](CN[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759430 1111471807 /nfs/dbraw/zinc/47/18/07/1111471807.db2.gz DCJUECRQWMXVIZ-ROUUACIJSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[NH+](C)[C@@H](CN[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001308759430 1111471811 /nfs/dbraw/zinc/47/18/11/1111471811.db2.gz DCJUECRQWMXVIZ-ROUUACIJSA-N 2 2 323.912 3.407 20 0 DGADLP CCC[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001308786275 1111475047 /nfs/dbraw/zinc/47/50/47/1111475047.db2.gz TZZUSLJXNKBTKD-CYBMUJFWSA-N 2 2 307.825 3.430 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001308948761 1111498511 /nfs/dbraw/zinc/49/85/11/1111498511.db2.gz RINPXEOXFNMNMO-NBYUQASBSA-N 2 2 321.553 3.349 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001308948761 1111498512 /nfs/dbraw/zinc/49/85/12/1111498512.db2.gz RINPXEOXFNMNMO-NBYUQASBSA-N 2 2 321.553 3.349 20 0 DGADLP COc1cccc([C@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278457324 214166929 /nfs/dbraw/zinc/16/69/29/214166929.db2.gz XDOAEHNNSIUPSP-YJBOKZPZSA-N 2 2 320.502 3.175 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000278487618 214186343 /nfs/dbraw/zinc/18/63/43/214186343.db2.gz SUFGJSMMXCVOOO-CQSZACIVSA-N 2 2 303.381 3.327 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000278487618 214186346 /nfs/dbraw/zinc/18/63/46/214186346.db2.gz SUFGJSMMXCVOOO-CQSZACIVSA-N 2 2 303.381 3.327 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1 ZINC000414389147 230747133 /nfs/dbraw/zinc/74/71/33/230747133.db2.gz FGVAUHIPFSUJQM-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000129265384 432002803 /nfs/dbraw/zinc/00/28/03/432002803.db2.gz QPTWZDLOLVOETQ-CHWSQXEVSA-N 2 2 315.383 3.473 20 0 DGADLP COCc1cccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000309891467 231107340 /nfs/dbraw/zinc/10/73/40/231107340.db2.gz MLXZUPFKZAZQJO-QGZVFWFLSA-N 2 2 312.457 3.443 20 0 DGADLP COCc1cccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000309891467 231107342 /nfs/dbraw/zinc/10/73/42/231107342.db2.gz MLXZUPFKZAZQJO-QGZVFWFLSA-N 2 2 312.457 3.443 20 0 DGADLP CCn1c[nH+]cc1C[NH2+]Cc1sccc1Br ZINC000087575345 185228751 /nfs/dbraw/zinc/22/87/51/185228751.db2.gz ZHCGMRMGPRKYGC-UHFFFAOYSA-N 2 2 300.225 3.017 20 0 DGADLP CCc1cc(N2CC[NH+](C3CCC(C)CC3)CC2)nc(C)[nH+]1 ZINC000302030006 529534034 /nfs/dbraw/zinc/53/40/34/529534034.db2.gz BLBSWWYEQITMPV-UHFFFAOYSA-N 2 2 302.466 3.048 20 0 DGADLP CCc1cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076300 529528246 /nfs/dbraw/zinc/52/82/46/529528246.db2.gz HGHAXBNOYYKCKV-SFHVURJKSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1cc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076300 529528251 /nfs/dbraw/zinc/52/82/51/529528251.db2.gz HGHAXBNOYYKCKV-SFHVURJKSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nc(C)[nH+]1 ZINC000302039155 529557053 /nfs/dbraw/zinc/55/70/53/529557053.db2.gz GZRGUDVSASCSFL-HNNXBMFYSA-N 2 2 320.387 3.340 20 0 DGADLP CCc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)nc(C)[nH+]1 ZINC000302040710 529558913 /nfs/dbraw/zinc/55/89/13/529558913.db2.gz HUGWWKXWMFERGZ-UHFFFAOYSA-N 2 2 307.401 3.204 20 0 DGADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000444663797 529575391 /nfs/dbraw/zinc/57/53/91/529575391.db2.gz PHNWXLVJMLGDOC-KRWDZBQOSA-N 2 2 311.473 3.480 20 0 DGADLP CCc1ccccc1CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000444663797 529575396 /nfs/dbraw/zinc/57/53/96/529575396.db2.gz PHNWXLVJMLGDOC-KRWDZBQOSA-N 2 2 311.473 3.480 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000295802630 529590162 /nfs/dbraw/zinc/59/01/62/529590162.db2.gz CGAACQAKIOCKLI-MRXNPFEDSA-N 2 2 312.461 3.350 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000270922526 282207599 /nfs/dbraw/zinc/20/75/99/282207599.db2.gz VMQGKYNYUGMIDD-DYVFJYSZSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000270922526 282207600 /nfs/dbraw/zinc/20/76/00/282207600.db2.gz VMQGKYNYUGMIDD-DYVFJYSZSA-N 2 2 319.836 3.307 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(OC)ccc1OC ZINC000415073098 529617210 /nfs/dbraw/zinc/61/72/10/529617210.db2.gz ZAXXZZCEHFLDTH-GOSISDBHSA-N 2 2 314.429 3.056 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000415062214 529617260 /nfs/dbraw/zinc/61/72/60/529617260.db2.gz DVUAJDCCJJIVGX-DNVCBOLYSA-N 2 2 304.478 3.291 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)O ZINC000293047428 529681734 /nfs/dbraw/zinc/68/17/34/529681734.db2.gz RGPRTCDFWDQSMW-QGZVFWFLSA-N 2 2 324.896 3.444 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccn1 ZINC000090667468 185308634 /nfs/dbraw/zinc/30/86/34/185308634.db2.gz GDYIMLXHGFALKY-HZPDHXFCSA-N 2 2 310.445 3.353 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)sc2C1 ZINC000092648676 185331291 /nfs/dbraw/zinc/33/12/91/185331291.db2.gz MMMUJGDJIWEZNE-CYBMUJFWSA-N 2 2 316.474 3.302 20 0 DGADLP Cc1ccn2c(CN3CCCC[C@@H]([NH+]4CCCC4)C3)c[nH+]c2c1 ZINC000092785646 185341019 /nfs/dbraw/zinc/34/10/19/185341019.db2.gz WHWIAUHQEYLFHW-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP CC1(C)[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC000181586303 199322931 /nfs/dbraw/zinc/32/29/31/199322931.db2.gz BIHVXBXQAWSBQW-VHSSKADRSA-N 2 2 313.445 3.289 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124149 529802033 /nfs/dbraw/zinc/80/20/33/529802033.db2.gz AEKDGWUBBVDXBE-OAHLLOKOSA-N 2 2 314.351 3.113 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124149 529802034 /nfs/dbraw/zinc/80/20/34/529802034.db2.gz AEKDGWUBBVDXBE-OAHLLOKOSA-N 2 2 314.351 3.113 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124149 529802035 /nfs/dbraw/zinc/80/20/35/529802035.db2.gz AEKDGWUBBVDXBE-OAHLLOKOSA-N 2 2 314.351 3.113 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000430124149 529802036 /nfs/dbraw/zinc/80/20/36/529802036.db2.gz AEKDGWUBBVDXBE-OAHLLOKOSA-N 2 2 314.351 3.113 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123974 529811568 /nfs/dbraw/zinc/81/15/68/529811568.db2.gz MVVHFOCYODINOE-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123974 529811569 /nfs/dbraw/zinc/81/15/69/529811569.db2.gz MVVHFOCYODINOE-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123974 529811570 /nfs/dbraw/zinc/81/15/70/529811570.db2.gz MVVHFOCYODINOE-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123974 529811571 /nfs/dbraw/zinc/81/15/71/529811571.db2.gz MVVHFOCYODINOE-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+](CCCc1ccncc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434742526 529897148 /nfs/dbraw/zinc/89/71/48/529897148.db2.gz BQKJOOPZJAQFAF-PMACEKPBSA-N 2 2 324.472 3.034 20 0 DGADLP C[N@@H+](CCCc1ccncc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434742526 529897150 /nfs/dbraw/zinc/89/71/50/529897150.db2.gz BQKJOOPZJAQFAF-PMACEKPBSA-N 2 2 324.472 3.034 20 0 DGADLP C[NH+](CCCc1ccncc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434742526 529897151 /nfs/dbraw/zinc/89/71/51/529897151.db2.gz BQKJOOPZJAQFAF-PMACEKPBSA-N 2 2 324.472 3.034 20 0 DGADLP C[NH+](CCCc1ccncc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434742526 529897153 /nfs/dbraw/zinc/89/71/53/529897153.db2.gz BQKJOOPZJAQFAF-PMACEKPBSA-N 2 2 324.472 3.034 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442724644 529917759 /nfs/dbraw/zinc/91/77/59/529917759.db2.gz ZWWKFDDXBOQWNM-QGZVFWFLSA-N 2 2 319.452 3.357 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442724644 529917761 /nfs/dbraw/zinc/91/77/61/529917761.db2.gz ZWWKFDDXBOQWNM-QGZVFWFLSA-N 2 2 319.452 3.357 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785415 530064427 /nfs/dbraw/zinc/06/44/27/530064427.db2.gz JDMZIDAVEPFVCU-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785415 530064428 /nfs/dbraw/zinc/06/44/28/530064428.db2.gz JDMZIDAVEPFVCU-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785415 530064429 /nfs/dbraw/zinc/06/44/29/530064429.db2.gz JDMZIDAVEPFVCU-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCC(=O)c3ccc(F)cc3)CC[C@H]21 ZINC000321785415 530064430 /nfs/dbraw/zinc/06/44/30/530064430.db2.gz JDMZIDAVEPFVCU-FUHWJXTLSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975240 530065753 /nfs/dbraw/zinc/06/57/53/530065753.db2.gz MQRBGPNXLCKJRY-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975240 530065754 /nfs/dbraw/zinc/06/57/54/530065754.db2.gz MQRBGPNXLCKJRY-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975240 530065755 /nfs/dbraw/zinc/06/57/55/530065755.db2.gz MQRBGPNXLCKJRY-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nc4ccccc4s3)C2)C1 ZINC000292975240 530065756 /nfs/dbraw/zinc/06/57/56/530065756.db2.gz MQRBGPNXLCKJRY-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866518 530059977 /nfs/dbraw/zinc/05/99/77/530059977.db2.gz CVDPEEHXDDMRLB-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866518 530059978 /nfs/dbraw/zinc/05/99/78/530059978.db2.gz CVDPEEHXDDMRLB-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866518 530059979 /nfs/dbraw/zinc/05/99/79/530059979.db2.gz CVDPEEHXDDMRLB-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866518 530059980 /nfs/dbraw/zinc/05/99/80/530059980.db2.gz CVDPEEHXDDMRLB-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000130094982 432014238 /nfs/dbraw/zinc/01/42/38/432014238.db2.gz VBHJQIZEDWSVBT-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000130094982 432014239 /nfs/dbraw/zinc/01/42/39/432014239.db2.gz VBHJQIZEDWSVBT-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000181989217 199371722 /nfs/dbraw/zinc/37/17/22/199371722.db2.gz LLLJJAWRQBLRCI-CVEARBPZSA-N 2 2 306.450 3.244 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000279766588 215128490 /nfs/dbraw/zinc/12/84/90/215128490.db2.gz FQYQGESJBDEOHM-UHFFFAOYSA-N 2 2 304.463 3.474 20 0 DGADLP c1cn(CCSCCCCSCCn2cc[nH+]c2)c[nH+]1 ZINC000279860365 215186995 /nfs/dbraw/zinc/18/69/95/215186995.db2.gz FRDIMNKSKJDDAR-UHFFFAOYSA-N 2 2 310.492 3.026 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152440897 186073353 /nfs/dbraw/zinc/07/33/53/186073353.db2.gz CTCGQJIZOBDWIS-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152440897 186073354 /nfs/dbraw/zinc/07/33/54/186073354.db2.gz CTCGQJIZOBDWIS-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152440897 186073356 /nfs/dbraw/zinc/07/33/56/186073356.db2.gz CTCGQJIZOBDWIS-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152440897 186073358 /nfs/dbraw/zinc/07/33/58/186073358.db2.gz CTCGQJIZOBDWIS-LSDHHAIUSA-N 2 2 314.433 3.071 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000155861689 186118679 /nfs/dbraw/zinc/11/86/79/186118679.db2.gz DYQZOGCBXCOKMO-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@H+]1C ZINC000155861689 186118680 /nfs/dbraw/zinc/11/86/80/186118680.db2.gz DYQZOGCBXCOKMO-MFKMUULPSA-N 2 2 315.230 3.161 20 0 DGADLP CSc1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000173370490 186180886 /nfs/dbraw/zinc/18/08/86/186180886.db2.gz RJGODRXUTFNTGX-UHFFFAOYSA-N 2 2 317.458 3.321 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OCc2ccccn2)c1 ZINC000179687706 186205673 /nfs/dbraw/zinc/20/56/73/186205673.db2.gz NBVGYULNZWFEGN-INIZCTEOSA-N 2 2 322.412 3.208 20 0 DGADLP CC(C)c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(C(C)C)[nH+]1 ZINC000270464634 186398114 /nfs/dbraw/zinc/39/81/14/186398114.db2.gz DYPGSQWXBGULBP-HNNXBMFYSA-N 2 2 300.450 3.174 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000268755034 186380243 /nfs/dbraw/zinc/38/02/43/186380243.db2.gz XCSAXSVXAPBYOU-UHFFFAOYSA-N 2 2 308.853 3.073 20 0 DGADLP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271943296 186411845 /nfs/dbraw/zinc/41/18/45/186411845.db2.gz BCZMSDNBQQTDGX-ZWKOTPCHSA-N 2 2 317.477 3.234 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1O ZINC000277204053 213364399 /nfs/dbraw/zinc/36/43/99/213364399.db2.gz JZAIYZQKMVULKQ-HNNXBMFYSA-N 2 2 314.429 3.258 20 0 DGADLP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331875185 234223292 /nfs/dbraw/zinc/22/32/92/234223292.db2.gz FKUIGNGXJALSDB-LLVKDONJSA-N 2 2 303.410 3.031 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173880309 198263509 /nfs/dbraw/zinc/26/35/09/198263509.db2.gz QFWYDBWJXASJSC-QGZVFWFLSA-N 2 2 324.472 3.246 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173880309 198263511 /nfs/dbraw/zinc/26/35/11/198263511.db2.gz QFWYDBWJXASJSC-QGZVFWFLSA-N 2 2 324.472 3.246 20 0 DGADLP COc1ccc2ccccc2c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500790 432032351 /nfs/dbraw/zinc/03/23/51/432032351.db2.gz QMVQDBCNKTWUNA-OAHLLOKOSA-N 2 2 309.413 3.471 20 0 DGADLP c1cn(CC[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c[nH+]1 ZINC000131081268 432033359 /nfs/dbraw/zinc/03/33/59/432033359.db2.gz JYCGZDBWHQEXIR-UHFFFAOYSA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(CC[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c[nH+]1 ZINC000131081268 432033361 /nfs/dbraw/zinc/03/33/61/432033361.db2.gz JYCGZDBWHQEXIR-UHFFFAOYSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@@H+]1C ZINC000174514078 198344511 /nfs/dbraw/zinc/34/45/11/198344511.db2.gz VFPRMDVAEMGNAF-GXTWGEPZSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[N@H+]1C ZINC000174514078 198344513 /nfs/dbraw/zinc/34/45/13/198344513.db2.gz VFPRMDVAEMGNAF-GXTWGEPZSA-N 2 2 316.367 3.200 20 0 DGADLP CC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000163595951 432035654 /nfs/dbraw/zinc/03/56/54/432035654.db2.gz RHWORXKPJAANRG-MRXNPFEDSA-N 2 2 310.869 3.319 20 0 DGADLP CCCc1nc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000131752601 432035772 /nfs/dbraw/zinc/03/57/72/432035772.db2.gz FNGMHAXUVXLVHO-HNNXBMFYSA-N 2 2 303.431 3.144 20 0 DGADLP CCCc1nc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000131752601 432035776 /nfs/dbraw/zinc/03/57/76/432035776.db2.gz FNGMHAXUVXLVHO-HNNXBMFYSA-N 2 2 303.431 3.144 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931546 535262645 /nfs/dbraw/zinc/26/26/45/535262645.db2.gz AWDVEHMLHOVHMX-INIZCTEOSA-N 2 2 308.441 3.388 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931546 535262650 /nfs/dbraw/zinc/26/26/50/535262650.db2.gz AWDVEHMLHOVHMX-INIZCTEOSA-N 2 2 308.441 3.388 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931546 535262653 /nfs/dbraw/zinc/26/26/53/535262653.db2.gz AWDVEHMLHOVHMX-INIZCTEOSA-N 2 2 308.441 3.388 20 0 DGADLP c1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163701335 432040336 /nfs/dbraw/zinc/04/03/36/432040336.db2.gz GNXJAMQRRAZCLN-OAQYLSRUSA-N 2 2 322.452 3.296 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCC[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000332633116 235221959 /nfs/dbraw/zinc/22/19/59/235221959.db2.gz ROESJPQBEWSVEW-UHFFFAOYSA-N 2 2 318.465 3.250 20 0 DGADLP CCOc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000077221121 191676967 /nfs/dbraw/zinc/67/69/67/191676967.db2.gz CYQISWDUXBONQB-UHFFFAOYSA-N 2 2 311.429 3.239 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ncc(Br)s1 ZINC000179188474 432048414 /nfs/dbraw/zinc/04/84/14/432048414.db2.gz BAGLXRNSVQYXJY-VIFPVBQESA-N 2 2 320.300 3.144 20 0 DGADLP CCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000236821713 202026617 /nfs/dbraw/zinc/02/66/17/202026617.db2.gz PFFQPSDVHGTPGD-MRXNPFEDSA-N 2 2 322.412 3.376 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000132363749 432048864 /nfs/dbraw/zinc/04/88/64/432048864.db2.gz GGXNAFWSOXLMPK-MKXGPGLRSA-N 3 2 309.542 3.205 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000132363749 432048867 /nfs/dbraw/zinc/04/88/67/432048867.db2.gz GGXNAFWSOXLMPK-MKXGPGLRSA-N 3 2 309.542 3.205 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000166297761 432059333 /nfs/dbraw/zinc/05/93/33/432059333.db2.gz UROGTQAMRQTWPJ-GRDNDAEWSA-N 2 2 318.461 3.117 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000166297761 432059336 /nfs/dbraw/zinc/05/93/36/432059336.db2.gz UROGTQAMRQTWPJ-GRDNDAEWSA-N 2 2 318.461 3.117 20 0 DGADLP Brc1ccsc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000133313174 432059973 /nfs/dbraw/zinc/05/99/73/432059973.db2.gz ALOXBNHSSGOUDA-UHFFFAOYSA-N 2 2 315.280 3.227 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000166297646 432059874 /nfs/dbraw/zinc/05/98/74/432059874.db2.gz UROGTQAMRQTWPJ-JKIFEVAISA-N 2 2 318.461 3.117 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000166297646 432059875 /nfs/dbraw/zinc/05/98/75/432059875.db2.gz UROGTQAMRQTWPJ-JKIFEVAISA-N 2 2 318.461 3.117 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395337 432060845 /nfs/dbraw/zinc/06/08/45/432060845.db2.gz CFBWWXBNBSJCTC-IZBJGVDFSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395108 432060821 /nfs/dbraw/zinc/06/08/21/432060821.db2.gz CFBWWXBNBSJCTC-HNBVOPMISA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395108 432060822 /nfs/dbraw/zinc/06/08/22/432060822.db2.gz CFBWWXBNBSJCTC-HNBVOPMISA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395108 432060825 /nfs/dbraw/zinc/06/08/25/432060825.db2.gz CFBWWXBNBSJCTC-HNBVOPMISA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395108 432060826 /nfs/dbraw/zinc/06/08/26/432060826.db2.gz CFBWWXBNBSJCTC-HNBVOPMISA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395337 432060840 /nfs/dbraw/zinc/06/08/40/432060840.db2.gz CFBWWXBNBSJCTC-IZBJGVDFSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000166395337 432060844 /nfs/dbraw/zinc/06/08/44/432060844.db2.gz CFBWWXBNBSJCTC-IZBJGVDFSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000166395337 432060847 /nfs/dbraw/zinc/06/08/47/432060847.db2.gz CFBWWXBNBSJCTC-IZBJGVDFSA-N 3 2 315.505 3.112 20 0 DGADLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c2ccccc12 ZINC000237190759 202182805 /nfs/dbraw/zinc/18/28/05/202182805.db2.gz XMMJFXXEZCKPGX-HNNXBMFYSA-N 2 2 309.413 3.471 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167096795 432064022 /nfs/dbraw/zinc/06/40/22/432064022.db2.gz NJHOZYNCUFPBAX-SNVBAGLBSA-N 2 2 301.287 3.219 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857279 432066531 /nfs/dbraw/zinc/06/65/31/432066531.db2.gz FYLMHXSAEGCEMJ-VXIBKDFQSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857279 432066532 /nfs/dbraw/zinc/06/65/32/432066532.db2.gz FYLMHXSAEGCEMJ-VXIBKDFQSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617262 432070290 /nfs/dbraw/zinc/07/02/90/432070290.db2.gz NEYUKOXRWKNFFK-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000168617262 432070293 /nfs/dbraw/zinc/07/02/93/432070293.db2.gz NEYUKOXRWKNFFK-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000133878381 432071355 /nfs/dbraw/zinc/07/13/55/432071355.db2.gz NRKCBSGEZHZMOQ-RTBURBONSA-N 2 2 322.456 3.276 20 0 DGADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000133878381 432071357 /nfs/dbraw/zinc/07/13/57/432071357.db2.gz NRKCBSGEZHZMOQ-RTBURBONSA-N 2 2 322.456 3.276 20 0 DGADLP Brc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000276728501 213071687 /nfs/dbraw/zinc/07/16/87/213071687.db2.gz CSVNCDZRZZZXKR-UHFFFAOYSA-N 2 2 313.239 3.149 20 0 DGADLP CCOc1ccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000179661858 199071353 /nfs/dbraw/zinc/07/13/53/199071353.db2.gz GLSIHVIBBRXBRT-UHFFFAOYSA-N 2 2 311.429 3.461 20 0 DGADLP CCOc1ccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000179661858 199071355 /nfs/dbraw/zinc/07/13/55/199071355.db2.gz GLSIHVIBBRXBRT-UHFFFAOYSA-N 2 2 311.429 3.461 20 0 DGADLP COCC[C@@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000179992357 199104159 /nfs/dbraw/zinc/10/41/59/199104159.db2.gz PFIQQPLYNXAFJL-OAHLLOKOSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)N(C)c1ccc(CNc2c[nH+]ccc2-n2cccn2)c[nH+]1 ZINC000276662948 213031810 /nfs/dbraw/zinc/03/18/10/213031810.db2.gz WUCNVSOTZOLCRY-UHFFFAOYSA-N 2 2 322.416 3.119 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000180610918 199184336 /nfs/dbraw/zinc/18/43/36/199184336.db2.gz AJDLLUFYAYMYPJ-NHYWBVRUSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000180610918 199184337 /nfs/dbraw/zinc/18/43/37/199184337.db2.gz AJDLLUFYAYMYPJ-NHYWBVRUSA-N 2 2 309.335 3.384 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169360 316102362 /nfs/dbraw/zinc/10/23/62/316102362.db2.gz HGVVRJYSUTVLKK-NXEZZACHSA-N 2 2 323.239 3.096 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169360 316102366 /nfs/dbraw/zinc/10/23/66/316102366.db2.gz HGVVRJYSUTVLKK-NXEZZACHSA-N 2 2 323.239 3.096 20 0 DGADLP CC[C@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC[NH2+]1 ZINC000134589275 432080918 /nfs/dbraw/zinc/08/09/18/432080918.db2.gz DANSYDYPYPVENG-GOSISDBHSA-N 2 2 312.417 3.301 20 0 DGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000415108222 237085204 /nfs/dbraw/zinc/08/52/04/237085204.db2.gz PSEDFCAFRUGPBI-TYNCELHUSA-N 2 2 318.396 3.057 20 0 DGADLP Cc1ccccc1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415127565 237097952 /nfs/dbraw/zinc/09/79/52/237097952.db2.gz IQACTHSMKGWJAC-UHFFFAOYSA-N 3 2 323.484 3.078 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccccc1F ZINC000415118647 237090620 /nfs/dbraw/zinc/09/06/20/237090620.db2.gz HBZLYMMMJZIKEZ-FUHWJXTLSA-N 2 2 310.372 3.499 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccccc1F ZINC000415118647 237090627 /nfs/dbraw/zinc/09/06/27/237090627.db2.gz HBZLYMMMJZIKEZ-FUHWJXTLSA-N 2 2 310.372 3.499 20 0 DGADLP Cc1ccc([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000415122223 237091900 /nfs/dbraw/zinc/09/19/00/237091900.db2.gz NXXSWFHPKFULPK-BBWFWOEESA-N 2 2 318.461 3.353 20 0 DGADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000187682467 200144059 /nfs/dbraw/zinc/14/40/59/200144059.db2.gz JZJYAEROJHXXLH-DLBZAZTESA-N 2 2 322.880 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1nccnc1C ZINC000187694891 200145629 /nfs/dbraw/zinc/14/56/29/200145629.db2.gz NXFWLRSVAMRAPE-ZDUSSCGKSA-N 2 2 309.417 3.184 20 0 DGADLP C[N@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCC1 ZINC000187971857 200184584 /nfs/dbraw/zinc/18/45/84/200184584.db2.gz FMZSCQREOSJQPA-KRWDZBQOSA-N 2 2 316.424 3.102 20 0 DGADLP C[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1CCCC1 ZINC000187971857 200184585 /nfs/dbraw/zinc/18/45/85/200184585.db2.gz FMZSCQREOSJQPA-KRWDZBQOSA-N 2 2 316.424 3.102 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000237672924 202325165 /nfs/dbraw/zinc/32/51/65/202325165.db2.gz OWQJXSRESPNFMA-MRXNPFEDSA-N 2 2 310.894 3.400 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423072158 237822320 /nfs/dbraw/zinc/82/23/20/237822320.db2.gz PFPOQFJFMAFQAS-RHSMWYFYSA-N 2 2 324.424 3.490 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423332338 237842080 /nfs/dbraw/zinc/84/20/80/237842080.db2.gz UZGKUCVWPIMPHM-CYBMUJFWSA-N 2 2 322.449 3.441 20 0 DGADLP O[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000189311360 200380190 /nfs/dbraw/zinc/38/01/90/200380190.db2.gz QZFAVYXFWKDKDR-QAPCUYQASA-N 2 2 322.880 3.055 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423494400 237854153 /nfs/dbraw/zinc/85/41/53/237854153.db2.gz RZAQSXRYXTVOCY-PMACEKPBSA-N 2 2 310.441 3.053 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000428361004 238017430 /nfs/dbraw/zinc/01/74/30/238017430.db2.gz DCLXMUYESKARJT-DZGCQCFKSA-N 2 2 302.422 3.386 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000428361004 238017431 /nfs/dbraw/zinc/01/74/31/238017431.db2.gz DCLXMUYESKARJT-DZGCQCFKSA-N 2 2 302.422 3.386 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1nnc(C(C)C)s1 ZINC000430114582 238067262 /nfs/dbraw/zinc/06/72/62/238067262.db2.gz DBPZXAJJPGOVGM-UHFFFAOYSA-N 2 2 304.463 3.130 20 0 DGADLP Cc1ccc([C@@H](C)[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c(C)c1 ZINC000430571826 238079997 /nfs/dbraw/zinc/07/99/97/238079997.db2.gz MYCMMRZTJHJJSG-CYBMUJFWSA-N 2 2 302.422 3.073 20 0 DGADLP Cc1ccc([C@@H](C)[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)c(C)c1 ZINC000430571826 238079998 /nfs/dbraw/zinc/07/99/98/238079998.db2.gz MYCMMRZTJHJJSG-CYBMUJFWSA-N 2 2 302.422 3.073 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1csc(-c2ccccc2F)n1)C1CC1 ZINC000430577597 238080079 /nfs/dbraw/zinc/08/00/79/238080079.db2.gz CPHCWVVRBIPPDF-INIZCTEOSA-N 2 2 305.422 3.166 20 0 DGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430601534 238081218 /nfs/dbraw/zinc/08/12/18/238081218.db2.gz ZVUFWLDINVMGPN-CZUORRHYSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430601534 238081219 /nfs/dbraw/zinc/08/12/19/238081219.db2.gz ZVUFWLDINVMGPN-CZUORRHYSA-N 2 2 323.506 3.041 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650340 238082458 /nfs/dbraw/zinc/08/24/58/238082458.db2.gz UTOLARVJVPPFRJ-APWZRJJASA-N 2 2 323.440 3.037 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650340 238082460 /nfs/dbraw/zinc/08/24/60/238082460.db2.gz UTOLARVJVPPFRJ-APWZRJJASA-N 2 2 323.440 3.037 20 0 DGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430916676 238089836 /nfs/dbraw/zinc/08/98/36/238089836.db2.gz AZDZLTAYZGZAIE-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430916676 238089837 /nfs/dbraw/zinc/08/98/37/238089837.db2.gz AZDZLTAYZGZAIE-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000134934989 432091304 /nfs/dbraw/zinc/09/13/04/432091304.db2.gz BTHQMPCBHKHLLP-GDBMZVCRSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000134934989 432091312 /nfs/dbraw/zinc/09/13/12/432091312.db2.gz BTHQMPCBHKHLLP-GDBMZVCRSA-N 2 2 317.477 3.421 20 0 DGADLP CC(C)(C)c1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000134934989 432091316 /nfs/dbraw/zinc/09/13/16/432091316.db2.gz BTHQMPCBHKHLLP-GDBMZVCRSA-N 2 2 317.477 3.421 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246081888 432093085 /nfs/dbraw/zinc/09/30/85/432093085.db2.gz HYMYCTACKSUAPV-KSSFIOAISA-N 2 2 315.465 3.190 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000246081888 432093090 /nfs/dbraw/zinc/09/30/90/432093090.db2.gz HYMYCTACKSUAPV-KSSFIOAISA-N 2 2 315.465 3.190 20 0 DGADLP Fc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435395309 238301719 /nfs/dbraw/zinc/30/17/19/238301719.db2.gz SCDFUCIOKFVPHG-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435395309 238301726 /nfs/dbraw/zinc/30/17/26/238301726.db2.gz SCDFUCIOKFVPHG-LJQANCHMSA-N 2 2 313.420 3.365 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1c(C)[nH+]c2ccccn21 ZINC000436022368 238384764 /nfs/dbraw/zinc/38/47/64/238384764.db2.gz MGMILZQSYDOYQZ-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP c1coc(-c2ncc(C[NH2+]C3CC[NH+](C4CC4)CC3)s2)c1 ZINC000192989466 200973197 /nfs/dbraw/zinc/97/31/97/200973197.db2.gz YKKQDFRAXRLRKT-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP C=Cn1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000193809555 201126415 /nfs/dbraw/zinc/12/64/15/201126415.db2.gz KPEGRTYNJVIUFG-IAGOWNOFSA-N 2 2 302.466 3.070 20 0 DGADLP C=Cn1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000193809555 201126417 /nfs/dbraw/zinc/12/64/17/201126417.db2.gz KPEGRTYNJVIUFG-IAGOWNOFSA-N 2 2 302.466 3.070 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000193809555 201126420 /nfs/dbraw/zinc/12/64/20/201126420.db2.gz KPEGRTYNJVIUFG-IAGOWNOFSA-N 2 2 302.466 3.070 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000193809555 201126423 /nfs/dbraw/zinc/12/64/23/201126423.db2.gz KPEGRTYNJVIUFG-IAGOWNOFSA-N 2 2 302.466 3.070 20 0 DGADLP C=Cn1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000193809569 201126570 /nfs/dbraw/zinc/12/65/70/201126570.db2.gz KPEGRTYNJVIUFG-DLBZAZTESA-N 2 2 302.466 3.070 20 0 DGADLP C=Cn1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000193809569 201126574 /nfs/dbraw/zinc/12/65/74/201126574.db2.gz KPEGRTYNJVIUFG-DLBZAZTESA-N 2 2 302.466 3.070 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000193809569 201126577 /nfs/dbraw/zinc/12/65/77/201126577.db2.gz KPEGRTYNJVIUFG-DLBZAZTESA-N 2 2 302.466 3.070 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000193809569 201126580 /nfs/dbraw/zinc/12/65/80/201126580.db2.gz KPEGRTYNJVIUFG-DLBZAZTESA-N 2 2 302.466 3.070 20 0 DGADLP COCCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000442626187 239102812 /nfs/dbraw/zinc/10/28/12/239102812.db2.gz HOGZDPVAAOPTOM-QGZVFWFLSA-N 2 2 305.397 3.170 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1[nH+]c2cccc(F)c2n1C ZINC000443519999 239207726 /nfs/dbraw/zinc/20/77/26/239207726.db2.gz QGSFFDUSACZKDV-CQSZACIVSA-N 2 2 318.440 3.201 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1[nH+]c2cccc(F)c2n1C ZINC000443519999 239207728 /nfs/dbraw/zinc/20/77/28/239207728.db2.gz QGSFFDUSACZKDV-CQSZACIVSA-N 2 2 318.440 3.201 20 0 DGADLP COCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC000449153597 240041219 /nfs/dbraw/zinc/04/12/19/240041219.db2.gz KHWZHXVJSMKNDT-IBGZPJMESA-N 2 2 324.468 3.472 20 0 DGADLP COCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC000449153597 240041224 /nfs/dbraw/zinc/04/12/24/240041224.db2.gz KHWZHXVJSMKNDT-IBGZPJMESA-N 2 2 324.468 3.472 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccnn1C1CCCC1)CCC2 ZINC000449172275 240051417 /nfs/dbraw/zinc/05/14/17/240051417.db2.gz VOBSVCCZUPNTDM-OAHLLOKOSA-N 2 2 313.449 3.170 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000449186638 240057405 /nfs/dbraw/zinc/05/74/05/240057405.db2.gz KWSLEXCODCIKKC-XZZQLLPFSA-N 2 2 306.494 3.472 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000449186638 240057409 /nfs/dbraw/zinc/05/74/09/240057409.db2.gz KWSLEXCODCIKKC-XZZQLLPFSA-N 2 2 306.494 3.472 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc2ccccc21 ZINC000449196095 240061505 /nfs/dbraw/zinc/06/15/05/240061505.db2.gz RMEFFDYCAUZAHG-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc2ccccc21 ZINC000449196095 240061509 /nfs/dbraw/zinc/06/15/09/240061509.db2.gz RMEFFDYCAUZAHG-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449199718 240065166 /nfs/dbraw/zinc/06/51/66/240065166.db2.gz AQWVZDDWKGEAAL-UHFFFAOYSA-N 2 2 324.403 3.262 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449224024 240077845 /nfs/dbraw/zinc/07/78/45/240077845.db2.gz GVCUUYICSOORLB-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]([NH2+]Cc1ccncc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449224024 240077849 /nfs/dbraw/zinc/07/78/49/240077849.db2.gz GVCUUYICSOORLB-MAUKXSAKSA-N 2 2 313.420 3.221 20 0 DGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000449339618 240144446 /nfs/dbraw/zinc/14/44/46/240144446.db2.gz KZIUNBGQLDTYRY-CQSZACIVSA-N 2 2 300.406 3.039 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCOC1 ZINC000449351752 240150319 /nfs/dbraw/zinc/15/03/19/240150319.db2.gz QWMFAELSQURRPB-STQMWFEESA-N 2 2 305.809 3.040 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000449386056 240168234 /nfs/dbraw/zinc/16/82/34/240168234.db2.gz SAJDZMWOEZEMAE-JTSKRJEESA-N 2 2 322.518 3.024 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393438 240171901 /nfs/dbraw/zinc/17/19/01/240171901.db2.gz CBLABMBHOLOFBZ-IEBWSBKVSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393438 240171905 /nfs/dbraw/zinc/17/19/05/240171905.db2.gz CBLABMBHOLOFBZ-IEBWSBKVSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394789 240173339 /nfs/dbraw/zinc/17/33/39/240173339.db2.gz GRLBSXCCTWOTHU-IEBWSBKVSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000449394789 240173342 /nfs/dbraw/zinc/17/33/42/240173342.db2.gz GRLBSXCCTWOTHU-IEBWSBKVSA-N 2 2 323.484 3.469 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000449398539 240173687 /nfs/dbraw/zinc/17/36/87/240173687.db2.gz VIGGDYGJNAGPFT-UFYCRDLUSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000449398539 240173693 /nfs/dbraw/zinc/17/36/93/240173693.db2.gz VIGGDYGJNAGPFT-UFYCRDLUSA-N 2 2 316.489 3.068 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398484 240174837 /nfs/dbraw/zinc/17/48/37/240174837.db2.gz VEYZXGYLAFGKQP-UXHICEINSA-N 2 2 318.505 3.224 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398484 240174840 /nfs/dbraw/zinc/17/48/40/240174840.db2.gz VEYZXGYLAFGKQP-UXHICEINSA-N 2 2 318.505 3.224 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481254 240233615 /nfs/dbraw/zinc/23/36/15/240233615.db2.gz RSVBPEIYZXMBEY-QRTARXTBSA-N 2 2 322.880 3.285 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000449481254 240233620 /nfs/dbraw/zinc/23/36/20/240233620.db2.gz RSVBPEIYZXMBEY-QRTARXTBSA-N 2 2 322.880 3.285 20 0 DGADLP Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449489166 240241978 /nfs/dbraw/zinc/24/19/78/240241978.db2.gz OTMASTJOKLMQOP-FXAWDEMLSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449489166 240241981 /nfs/dbraw/zinc/24/19/81/240241981.db2.gz OTMASTJOKLMQOP-FXAWDEMLSA-N 2 2 323.484 3.433 20 0 DGADLP OCC1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000449579424 240301276 /nfs/dbraw/zinc/30/12/76/240301276.db2.gz FZXLOADQJVPBHG-UHFFFAOYSA-N 2 2 322.880 3.057 20 0 DGADLP CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000449509426 240255702 /nfs/dbraw/zinc/25/57/02/240255702.db2.gz OOWQGMIPDMXMLJ-OALUTQOASA-N 2 2 315.461 3.251 20 0 DGADLP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449512169 240258818 /nfs/dbraw/zinc/25/88/18/240258818.db2.gz OOLFZCHLKGOVBC-SJORKVTESA-N 2 2 304.434 3.034 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449557205 240287193 /nfs/dbraw/zinc/28/71/93/240287193.db2.gz QISTYRSZNPNRDT-GJZGRUSLSA-N 2 2 305.466 3.067 20 0 DGADLP CC(C)c1nc(NCc2ccc(C[NH+](C)C)c(F)c2)cc[nH+]1 ZINC000135221490 432105850 /nfs/dbraw/zinc/10/58/50/432105850.db2.gz HKCAQPPNFBAADD-UHFFFAOYSA-N 2 2 302.397 3.413 20 0 DGADLP COc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1OC(C)C ZINC000091669422 193087782 /nfs/dbraw/zinc/08/77/82/193087782.db2.gz GBDKXWANFGJCCP-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)n1-c1ccccc1 ZINC000091964384 193133987 /nfs/dbraw/zinc/13/39/87/193133987.db2.gz DEJXBESHXIUORU-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)n1-c1ccccc1 ZINC000091964384 193133989 /nfs/dbraw/zinc/13/39/89/193133989.db2.gz DEJXBESHXIUORU-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000451473133 241134187 /nfs/dbraw/zinc/13/41/87/241134187.db2.gz VKNRZWNQLIXOGR-KURKYZTESA-N 2 2 311.429 3.084 20 0 DGADLP CC(C)CCOCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121006 241323508 /nfs/dbraw/zinc/32/35/08/241323508.db2.gz RZUPECABKDCHIW-UHFFFAOYSA-N 2 2 324.431 3.398 20 0 DGADLP CC(C)CCOCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121006 241323514 /nfs/dbraw/zinc/32/35/14/241323514.db2.gz RZUPECABKDCHIW-UHFFFAOYSA-N 2 2 324.431 3.398 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246221387 432109421 /nfs/dbraw/zinc/10/94/21/432109421.db2.gz ZMQCBGKOJNUNBD-CABCVRRESA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246221387 432109425 /nfs/dbraw/zinc/10/94/25/432109425.db2.gz ZMQCBGKOJNUNBD-CABCVRRESA-N 2 2 322.449 3.099 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487049 242215286 /nfs/dbraw/zinc/21/52/86/242215286.db2.gz SBXVYLGVXFBJEG-WFASDCNBSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000455487049 242215292 /nfs/dbraw/zinc/21/52/92/242215292.db2.gz SBXVYLGVXFBJEG-WFASDCNBSA-N 2 2 318.465 3.249 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000455505495 242220100 /nfs/dbraw/zinc/22/01/00/242220100.db2.gz XFOCWPMZXZEWDH-ZBFHGGJFSA-N 2 2 318.465 3.343 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000455505495 242220101 /nfs/dbraw/zinc/22/01/01/242220101.db2.gz XFOCWPMZXZEWDH-ZBFHGGJFSA-N 2 2 318.465 3.343 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043738 284003934 /nfs/dbraw/zinc/00/39/34/284003934.db2.gz LRAMPBUSPXCRDW-IEBWSBKVSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043738 284003939 /nfs/dbraw/zinc/00/39/39/284003939.db2.gz LRAMPBUSPXCRDW-IEBWSBKVSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043738 284003942 /nfs/dbraw/zinc/00/39/42/284003942.db2.gz LRAMPBUSPXCRDW-IEBWSBKVSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043738 284003946 /nfs/dbraw/zinc/00/39/46/284003946.db2.gz LRAMPBUSPXCRDW-IEBWSBKVSA-N 2 2 303.494 3.450 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc3c2OCCCO3)CC1 ZINC000092165314 193169331 /nfs/dbraw/zinc/16/93/31/193169331.db2.gz NYUDEXMMCAVDLD-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2OCCCO3)CC1 ZINC000092165314 193169333 /nfs/dbraw/zinc/16/93/33/193169333.db2.gz NYUDEXMMCAVDLD-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(N(CC)CC)s2)CC1 ZINC000092165290 193169928 /nfs/dbraw/zinc/16/99/28/193169928.db2.gz ZQMKYZFPBDYNNK-UHFFFAOYSA-N 2 2 324.538 3.296 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(N(CC)CC)s2)CC1 ZINC000092165290 193169930 /nfs/dbraw/zinc/16/99/30/193169930.db2.gz ZQMKYZFPBDYNNK-UHFFFAOYSA-N 2 2 324.538 3.296 20 0 DGADLP Cc1ccn2c(CN3CCC[C@H]3C[NH+]3CCCCC3)c[nH+]c2c1 ZINC000092218865 193175709 /nfs/dbraw/zinc/17/57/09/193175709.db2.gz SKKQDSGESFRLAG-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000459508882 243394577 /nfs/dbraw/zinc/39/45/77/243394577.db2.gz KXAQLQCQMSFKAJ-KRWDZBQOSA-N 2 2 309.417 3.066 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000459508882 243394578 /nfs/dbraw/zinc/39/45/78/243394578.db2.gz KXAQLQCQMSFKAJ-KRWDZBQOSA-N 2 2 309.417 3.066 20 0 DGADLP C[C@@H](NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422753769 296128581 /nfs/dbraw/zinc/12/85/81/296128581.db2.gz GJJHRGPCPOIECN-XYPHTWIQSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000422753769 296128583 /nfs/dbraw/zinc/12/85/83/296128583.db2.gz GJJHRGPCPOIECN-XYPHTWIQSA-N 2 2 309.885 3.063 20 0 DGADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000261695414 203096095 /nfs/dbraw/zinc/09/60/95/203096095.db2.gz CGCMRCXJKSRGDA-AWEZNQCLSA-N 2 2 311.385 3.202 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000115547228 284114061 /nfs/dbraw/zinc/11/40/61/284114061.db2.gz IMLBNVQOQXQQRB-UHFFFAOYSA-N 2 2 318.505 3.263 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000115547228 284114063 /nfs/dbraw/zinc/11/40/63/284114063.db2.gz IMLBNVQOQXQQRB-UHFFFAOYSA-N 2 2 318.505 3.263 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)c(OCCC)c1 ZINC000469991419 244137123 /nfs/dbraw/zinc/13/71/23/244137123.db2.gz JARVDFDUOSVUAI-INIZCTEOSA-N 2 2 320.477 3.306 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c(OCCC)c1 ZINC000469991419 244137128 /nfs/dbraw/zinc/13/71/28/244137128.db2.gz JARVDFDUOSVUAI-INIZCTEOSA-N 2 2 320.477 3.306 20 0 DGADLP Fc1ccc(/C=C\C[NH+]2CCC([NH2+]CC3CC3)CC2)c(F)c1 ZINC000470021384 244141631 /nfs/dbraw/zinc/14/16/31/244141631.db2.gz VGORNLYOMLVOSF-UPHRSURJSA-N 2 2 306.400 3.442 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246334943 432120340 /nfs/dbraw/zinc/12/03/40/432120340.db2.gz GKWDSEDGGUHDEY-JYJNAYRXSA-N 2 2 312.461 3.334 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246334943 432120341 /nfs/dbraw/zinc/12/03/41/432120341.db2.gz GKWDSEDGGUHDEY-JYJNAYRXSA-N 2 2 312.461 3.334 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397057 193243266 /nfs/dbraw/zinc/24/32/66/193243266.db2.gz COSYDOVTXKAOFP-CHWSQXEVSA-N 2 2 305.491 3.157 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397057 193243268 /nfs/dbraw/zinc/24/32/68/193243268.db2.gz COSYDOVTXKAOFP-CHWSQXEVSA-N 2 2 305.491 3.157 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597214 193273288 /nfs/dbraw/zinc/27/32/88/193273288.db2.gz VVKSKEPDFYMKKL-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597214 193273290 /nfs/dbraw/zinc/27/32/90/193273290.db2.gz VVKSKEPDFYMKKL-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683328 193288921 /nfs/dbraw/zinc/28/89/21/193288921.db2.gz PDEOYRMXKITOSD-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683328 193288923 /nfs/dbraw/zinc/28/89/23/193288923.db2.gz PDEOYRMXKITOSD-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000486959928 245005733 /nfs/dbraw/zinc/00/57/33/245005733.db2.gz XFKBQUKDMMIWCN-ZDUSSCGKSA-N 2 2 307.825 3.361 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000487272249 245042021 /nfs/dbraw/zinc/04/20/21/245042021.db2.gz LQPLPLMCHJWYMD-WBMJQRKESA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000487272249 245042027 /nfs/dbraw/zinc/04/20/27/245042027.db2.gz LQPLPLMCHJWYMD-WBMJQRKESA-N 2 2 308.853 3.311 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000487270149 245043121 /nfs/dbraw/zinc/04/31/21/245043121.db2.gz FVLMHGJJDVBDAK-HOKKKISVSA-N 2 2 307.441 3.349 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000487270149 245043130 /nfs/dbraw/zinc/04/31/30/245043130.db2.gz FVLMHGJJDVBDAK-HOKKKISVSA-N 2 2 307.441 3.349 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000487546448 245072884 /nfs/dbraw/zinc/07/28/84/245072884.db2.gz ZJWIXQWTCKPEDA-CYBMUJFWSA-N 2 2 305.809 3.040 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000487546450 245074269 /nfs/dbraw/zinc/07/42/69/245074269.db2.gz ZJWIXQWTCKPEDA-ZDUSSCGKSA-N 2 2 305.809 3.040 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123339750 284236611 /nfs/dbraw/zinc/23/66/11/284236611.db2.gz WLQKRTGWDRIDFH-MSOLQXFVSA-N 2 2 304.478 3.127 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123339750 284236614 /nfs/dbraw/zinc/23/66/14/284236614.db2.gz WLQKRTGWDRIDFH-MSOLQXFVSA-N 2 2 304.478 3.127 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123340189 284236732 /nfs/dbraw/zinc/23/67/32/284236732.db2.gz WLQKRTGWDRIDFH-QZTJIDSGSA-N 2 2 304.478 3.127 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123340189 284236733 /nfs/dbraw/zinc/23/67/33/284236733.db2.gz WLQKRTGWDRIDFH-QZTJIDSGSA-N 2 2 304.478 3.127 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@@H](C)C1 ZINC000488179130 245157319 /nfs/dbraw/zinc/15/73/19/245157319.db2.gz PZEUFQFEYACZOH-AWEZNQCLSA-N 2 2 301.459 3.366 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000488179130 245157326 /nfs/dbraw/zinc/15/73/26/245157326.db2.gz PZEUFQFEYACZOH-AWEZNQCLSA-N 2 2 301.459 3.366 20 0 DGADLP CCC1CCC([N@H+](CCO)Cc2cccc3[nH+]ccn32)CC1 ZINC000488521483 245205409 /nfs/dbraw/zinc/20/54/09/245205409.db2.gz SHNAIIAPUZZGBM-UHFFFAOYSA-N 2 2 301.434 3.097 20 0 DGADLP CCC1CCC([N@@H+](CCO)Cc2cccc3[nH+]ccn32)CC1 ZINC000488521483 245205412 /nfs/dbraw/zinc/20/54/12/245205412.db2.gz SHNAIIAPUZZGBM-UHFFFAOYSA-N 2 2 301.434 3.097 20 0 DGADLP c1ccc2c(NCc3ccc(N4CCOCC4)[nH+]c3)cc[nH+]c2c1 ZINC000264636712 204046121 /nfs/dbraw/zinc/04/61/21/204046121.db2.gz LSJUYZSRDXELLQ-UHFFFAOYSA-N 2 2 320.396 3.079 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489934348 245362159 /nfs/dbraw/zinc/36/21/59/245362159.db2.gz MEHNHEQTMIKQBQ-YTQUADARSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489934348 245362164 /nfs/dbraw/zinc/36/21/64/245362164.db2.gz MEHNHEQTMIKQBQ-YTQUADARSA-N 2 2 304.478 3.300 20 0 DGADLP Fc1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000490058799 245378703 /nfs/dbraw/zinc/37/87/03/245378703.db2.gz GILQXKVLABVKAF-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP OCCC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccccc21 ZINC000271710990 209146684 /nfs/dbraw/zinc/14/66/84/209146684.db2.gz AZAYUGQCWREAIT-IBGZPJMESA-N 2 2 313.445 3.035 20 0 DGADLP OCCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccccc21 ZINC000271710990 209146687 /nfs/dbraw/zinc/14/66/87/209146687.db2.gz AZAYUGQCWREAIT-IBGZPJMESA-N 2 2 313.445 3.035 20 0 DGADLP c1ccc2cc(CC[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000266039490 205050034 /nfs/dbraw/zinc/05/00/34/205050034.db2.gz VONODACOISJOPX-LJQANCHMSA-N 2 2 324.468 3.036 20 0 DGADLP c1ccc2cc(CC[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000266039490 205050035 /nfs/dbraw/zinc/05/00/35/205050035.db2.gz VONODACOISJOPX-LJQANCHMSA-N 2 2 324.468 3.036 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266303534 205250632 /nfs/dbraw/zinc/25/06/32/205250632.db2.gz CBLXHKJZWYLRCX-VQIMIIECSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266303534 205250635 /nfs/dbraw/zinc/25/06/35/205250635.db2.gz CBLXHKJZWYLRCX-VQIMIIECSA-N 2 2 310.441 3.187 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268765421 432128730 /nfs/dbraw/zinc/12/87/30/432128730.db2.gz NOYPBGYKIYLBAC-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765421 432128735 /nfs/dbraw/zinc/12/87/35/432128735.db2.gz NOYPBGYKIYLBAC-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268765421 432128740 /nfs/dbraw/zinc/12/87/40/432128740.db2.gz NOYPBGYKIYLBAC-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268765421 432128726 /nfs/dbraw/zinc/12/87/26/432128726.db2.gz NOYPBGYKIYLBAC-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000282903511 217314226 /nfs/dbraw/zinc/31/42/26/217314226.db2.gz FSHIXDAMBKVQCH-SFHVURJKSA-N 2 2 309.413 3.083 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000493907976 246095708 /nfs/dbraw/zinc/09/57/08/246095708.db2.gz QDSQUSLCONFDKH-XLIONFOSSA-N 2 2 312.457 3.484 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000493907976 246095711 /nfs/dbraw/zinc/09/57/11/246095711.db2.gz QDSQUSLCONFDKH-XLIONFOSSA-N 2 2 312.457 3.484 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000494012982 246107072 /nfs/dbraw/zinc/10/70/72/246107072.db2.gz WFXHCMKMOYKJJO-GOSISDBHSA-N 2 2 324.468 3.476 20 0 DGADLP Fc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494422600 246146497 /nfs/dbraw/zinc/14/64/97/246146497.db2.gz CCOUIUXSDKAPCB-OAHLLOKOSA-N 2 2 311.360 3.387 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000494395001 246142246 /nfs/dbraw/zinc/14/22/46/246142246.db2.gz WTEJODMCUJZQEJ-OAHLLOKOSA-N 2 2 324.453 3.420 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000494394995 246142375 /nfs/dbraw/zinc/14/23/75/246142375.db2.gz WTEJODMCUJZQEJ-HNNXBMFYSA-N 2 2 324.453 3.420 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(Oc3ccccc3)o1)CC2 ZINC000494409099 246144324 /nfs/dbraw/zinc/14/43/24/246144324.db2.gz AWKLLSDHICVDCO-AWEZNQCLSA-N 2 2 309.369 3.373 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000494410067 246145279 /nfs/dbraw/zinc/14/52/79/246145279.db2.gz DGTFTJYCMBQZAQ-ZDUSSCGKSA-N 2 2 320.234 3.059 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000494495993 246156033 /nfs/dbraw/zinc/15/60/33/246156033.db2.gz NVMDGLPKSZTETJ-YJBOKZPZSA-N 2 2 302.462 3.145 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000494495993 246156035 /nfs/dbraw/zinc/15/60/35/246156035.db2.gz NVMDGLPKSZTETJ-YJBOKZPZSA-N 2 2 302.462 3.145 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000494850254 246201627 /nfs/dbraw/zinc/20/16/27/246201627.db2.gz JVKAUCXTHBRYDZ-SFHVURJKSA-N 2 2 304.478 3.159 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000494850254 246201633 /nfs/dbraw/zinc/20/16/33/246201633.db2.gz JVKAUCXTHBRYDZ-SFHVURJKSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495125728 246238359 /nfs/dbraw/zinc/23/83/59/246238359.db2.gz CBSGFXVZPLPIJX-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495125728 246238361 /nfs/dbraw/zinc/23/83/61/246238361.db2.gz CBSGFXVZPLPIJX-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495125728 246238364 /nfs/dbraw/zinc/23/83/64/246238364.db2.gz CBSGFXVZPLPIJX-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495125728 246238367 /nfs/dbraw/zinc/23/83/67/246238367.db2.gz CBSGFXVZPLPIJX-HKUYNNGSSA-N 2 2 302.462 3.247 20 0 DGADLP CC[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)NC(=O)OC(C)(C)C ZINC000495916690 246326781 /nfs/dbraw/zinc/32/67/81/246326781.db2.gz YPQYIKRWDFOQSI-INIZCTEOSA-N 2 2 321.465 3.216 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268815472 432141048 /nfs/dbraw/zinc/14/10/48/432141048.db2.gz MCFFJJQRXJYRCI-QWRGUYRKSA-N 2 2 313.323 3.363 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268818546 432140777 /nfs/dbraw/zinc/14/07/77/432140777.db2.gz GYEFQASKNGYLHW-IFXJQAMLSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268818546 432140781 /nfs/dbraw/zinc/14/07/81/432140781.db2.gz GYEFQASKNGYLHW-IFXJQAMLSA-N 2 2 313.445 3.292 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000135977997 432142689 /nfs/dbraw/zinc/14/26/89/432142689.db2.gz IZFADVWYOLSIQM-UHFFFAOYSA-N 2 2 300.368 3.458 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)o1 ZINC000268826619 432142714 /nfs/dbraw/zinc/14/27/14/432142714.db2.gz JCVBSBRMVVAMPU-RDJZCZTQSA-N 2 2 314.429 3.054 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000136095485 432146303 /nfs/dbraw/zinc/14/63/03/432146303.db2.gz DNXHWTQUKRTMIT-HOCLYGCPSA-N 2 2 323.400 3.016 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000136095485 432146307 /nfs/dbraw/zinc/14/63/07/432146307.db2.gz DNXHWTQUKRTMIT-HOCLYGCPSA-N 2 2 323.400 3.016 20 0 DGADLP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136095795 432146417 /nfs/dbraw/zinc/14/64/17/432146417.db2.gz WRCAMLCRUMYHNS-CRAIPNDOSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136095795 432146420 /nfs/dbraw/zinc/14/64/20/432146420.db2.gz WRCAMLCRUMYHNS-CRAIPNDOSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000136185153 432148470 /nfs/dbraw/zinc/14/84/70/432148470.db2.gz UVLNGOIOGVZRHD-MRXNPFEDSA-N 2 2 322.880 3.193 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000040592067 183106868 /nfs/dbraw/zinc/10/68/68/183106868.db2.gz OYEWKAOVWSOZRC-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000040592067 183106869 /nfs/dbraw/zinc/10/68/69/183106869.db2.gz OYEWKAOVWSOZRC-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000181908058 432149605 /nfs/dbraw/zinc/14/96/05/432149605.db2.gz IFWJWEXBOOPNGG-NVXWUHKLSA-N 2 2 320.502 3.170 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000181908058 432149609 /nfs/dbraw/zinc/14/96/09/432149609.db2.gz IFWJWEXBOOPNGG-NVXWUHKLSA-N 2 2 320.502 3.170 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1F ZINC000042427455 183269615 /nfs/dbraw/zinc/26/96/15/183269615.db2.gz RDEUGSUZAZSJQR-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1F ZINC000042427455 183269617 /nfs/dbraw/zinc/26/96/17/183269617.db2.gz RDEUGSUZAZSJQR-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH2+]CC[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043513195 183369627 /nfs/dbraw/zinc/36/96/27/183369627.db2.gz IFZCUEUUFLTXTJ-ZETCQYMHSA-N 2 2 300.246 3.334 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153904099 284700169 /nfs/dbraw/zinc/70/01/69/284700169.db2.gz MVHNRYJUZRCJOX-QGPMSJSTSA-N 2 2 302.462 3.101 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162877329 284719195 /nfs/dbraw/zinc/71/91/95/284719195.db2.gz UFIINCDNEOTNCJ-SFHVURJKSA-N 2 2 313.445 3.121 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000104720089 194030548 /nfs/dbraw/zinc/03/05/48/194030548.db2.gz SUBJCFLEIJHWNX-CQSZACIVSA-N 2 2 315.392 3.113 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000285057170 218273659 /nfs/dbraw/zinc/27/36/59/218273659.db2.gz ISQYTKNVEJQOCJ-QAPCUYQASA-N 2 2 300.450 3.217 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000285057170 218273662 /nfs/dbraw/zinc/27/36/62/218273662.db2.gz ISQYTKNVEJQOCJ-QAPCUYQASA-N 2 2 300.450 3.217 20 0 DGADLP c1csc(-c2cnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)c1 ZINC000109796843 194287067 /nfs/dbraw/zinc/28/70/67/194287067.db2.gz FSCMHVCAOVTHGF-UHFFFAOYSA-N 2 2 314.414 3.437 20 0 DGADLP CC[C@@H](C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268849654 207017457 /nfs/dbraw/zinc/01/74/57/207017457.db2.gz CNAMDIAIWAPTFG-RDTXWAMCSA-N 2 2 324.896 3.301 20 0 DGADLP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883050 207052958 /nfs/dbraw/zinc/05/29/58/207052958.db2.gz BXNQIZBFMMIBMV-HKUYNNGSSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000268883050 207052960 /nfs/dbraw/zinc/05/29/60/207052960.db2.gz BXNQIZBFMMIBMV-HKUYNNGSSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000268883050 207052966 /nfs/dbraw/zinc/05/29/66/207052966.db2.gz BXNQIZBFMMIBMV-HKUYNNGSSA-N 2 2 311.429 3.161 20 0 DGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000268883050 207052969 /nfs/dbraw/zinc/05/29/69/207052969.db2.gz BXNQIZBFMMIBMV-HKUYNNGSSA-N 2 2 311.429 3.161 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896441 207064608 /nfs/dbraw/zinc/06/46/08/207064608.db2.gz KGQLZTZUSPSPOZ-ROUUACIJSA-N 2 2 323.912 3.263 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896441 207064611 /nfs/dbraw/zinc/06/46/11/207064611.db2.gz KGQLZTZUSPSPOZ-ROUUACIJSA-N 2 2 323.912 3.263 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000268903006 207071880 /nfs/dbraw/zinc/07/18/80/207071880.db2.gz PEWHYGOHRVDLGR-GJYPPUQNSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnn(C)c1 ZINC000268903006 207071883 /nfs/dbraw/zinc/07/18/83/207071883.db2.gz PEWHYGOHRVDLGR-GJYPPUQNSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984111 207143780 /nfs/dbraw/zinc/14/37/80/207143780.db2.gz DQQPGHMWTCXLKQ-HNAYVOBHSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984111 207143783 /nfs/dbraw/zinc/14/37/83/207143783.db2.gz DQQPGHMWTCXLKQ-HNAYVOBHSA-N 2 2 313.420 3.221 20 0 DGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000269010509 207163703 /nfs/dbraw/zinc/16/37/03/207163703.db2.gz XFMAWNDJDIIQAH-SJORKVTESA-N 2 2 308.491 3.173 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014485 184201263 /nfs/dbraw/zinc/20/12/63/184201263.db2.gz YFGONLUXUQJPNJ-JTQLQIEISA-N 2 2 308.813 3.110 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000062014485 184201265 /nfs/dbraw/zinc/20/12/65/184201265.db2.gz YFGONLUXUQJPNJ-JTQLQIEISA-N 2 2 308.813 3.110 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062708106 184248730 /nfs/dbraw/zinc/24/87/30/184248730.db2.gz CPVMEQDUQDXCJI-UHFFFAOYSA-N 2 2 300.368 3.456 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557502 532983809 /nfs/dbraw/zinc/98/38/09/532983809.db2.gz WUQUUBMPQHDZFY-CHWSQXEVSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000430557502 532983827 /nfs/dbraw/zinc/98/38/27/532983827.db2.gz WUQUUBMPQHDZFY-CHWSQXEVSA-N 2 2 303.381 3.040 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000248871203 285034375 /nfs/dbraw/zinc/03/43/75/285034375.db2.gz VALFWQHUMXGGDB-BBRMVZONSA-N 2 2 306.475 3.306 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000248871203 285034377 /nfs/dbraw/zinc/03/43/77/285034377.db2.gz VALFWQHUMXGGDB-BBRMVZONSA-N 2 2 306.475 3.306 20 0 DGADLP CC(C)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000119613546 195002484 /nfs/dbraw/zinc/00/24/84/195002484.db2.gz ZHRVXBCBSQKDOP-UHFFFAOYSA-N 2 2 308.389 3.059 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000119712606 195022958 /nfs/dbraw/zinc/02/29/58/195022958.db2.gz NLGSMNCPJPLJTI-INIZCTEOSA-N 2 2 324.472 3.209 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccn1 ZINC000119867336 195052299 /nfs/dbraw/zinc/05/22/99/195052299.db2.gz ORACYNUGETYXLB-LMMKCTJWSA-N 2 2 319.493 3.258 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000119990796 195076186 /nfs/dbraw/zinc/07/61/86/195076186.db2.gz KJXDJPMOTJIDBD-AWEZNQCLSA-N 2 2 304.438 3.024 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000119990796 195076189 /nfs/dbraw/zinc/07/61/89/195076189.db2.gz KJXDJPMOTJIDBD-AWEZNQCLSA-N 2 2 304.438 3.024 20 0 DGADLP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119930807 195065099 /nfs/dbraw/zinc/06/50/99/195065099.db2.gz VUCSDPNKVJDNBT-CXAGYDPISA-N 2 2 308.853 3.071 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249168932 285060968 /nfs/dbraw/zinc/06/09/68/285060968.db2.gz AJVSBKJXHAPAER-QZTJIDSGSA-N 2 2 312.461 3.353 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249168932 285060971 /nfs/dbraw/zinc/06/09/71/285060971.db2.gz AJVSBKJXHAPAER-QZTJIDSGSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249183703 285062180 /nfs/dbraw/zinc/06/21/80/285062180.db2.gz JQMOMQMDRWVGIS-FUHWJXTLSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249183703 285062181 /nfs/dbraw/zinc/06/21/81/285062181.db2.gz JQMOMQMDRWVGIS-FUHWJXTLSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC000249273372 285065604 /nfs/dbraw/zinc/06/56/04/285065604.db2.gz LFKSSFMTTBLCCA-KBUPBQIOSA-N 2 2 322.415 3.196 20 0 DGADLP CCn1nc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000336868111 253014482 /nfs/dbraw/zinc/01/44/82/253014482.db2.gz QQKQBSSLOPUWFJ-MRXNPFEDSA-N 2 2 314.477 3.410 20 0 DGADLP CCn1nc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000336868111 253014484 /nfs/dbraw/zinc/01/44/84/253014484.db2.gz QQKQBSSLOPUWFJ-MRXNPFEDSA-N 2 2 314.477 3.410 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871395 253016028 /nfs/dbraw/zinc/01/60/28/253016028.db2.gz FUJGRWYJPGSTNI-QZTJIDSGSA-N 2 2 316.445 3.417 20 0 DGADLP c1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871395 253016031 /nfs/dbraw/zinc/01/60/31/253016031.db2.gz FUJGRWYJPGSTNI-QZTJIDSGSA-N 2 2 316.445 3.417 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1C ZINC000337221496 253064664 /nfs/dbraw/zinc/06/46/64/253064664.db2.gz DZZMBEODCKPDFT-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC000337221496 253064665 /nfs/dbraw/zinc/06/46/65/253064665.db2.gz DZZMBEODCKPDFT-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP c1cc(O[C@H]2CC[N@@H+](CCCCC3CCOCC3)C2)cc[nH+]1 ZINC000337164883 253056482 /nfs/dbraw/zinc/05/64/82/253056482.db2.gz YCAKBNVFQMMOJT-SFHVURJKSA-N 2 2 304.434 3.132 20 0 DGADLP c1cc(O[C@H]2CC[N@H+](CCCCC3CCOCC3)C2)cc[nH+]1 ZINC000337164883 253056484 /nfs/dbraw/zinc/05/64/84/253056484.db2.gz YCAKBNVFQMMOJT-SFHVURJKSA-N 2 2 304.434 3.132 20 0 DGADLP CC(C)n1nccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337199530 253060154 /nfs/dbraw/zinc/06/01/54/253060154.db2.gz DRSVTQKKRIGEPO-UHFFFAOYSA-N 2 2 315.465 3.353 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000337297127 253080267 /nfs/dbraw/zinc/08/02/67/253080267.db2.gz OPYUBYHNMLSRRH-SCLBCKFNSA-N 2 2 303.425 3.169 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000337297127 253080268 /nfs/dbraw/zinc/08/02/68/253080268.db2.gz OPYUBYHNMLSRRH-SCLBCKFNSA-N 2 2 303.425 3.169 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120160917 195108916 /nfs/dbraw/zinc/10/89/16/195108916.db2.gz LJWWQQYLDLDMDC-MRXNPFEDSA-N 3 2 300.450 3.255 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000337383635 253102468 /nfs/dbraw/zinc/10/24/68/253102468.db2.gz KCRZAHIRAKNGOF-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000337383635 253102469 /nfs/dbraw/zinc/10/24/69/253102469.db2.gz KCRZAHIRAKNGOF-HKUYNNGSSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391576 253104284 /nfs/dbraw/zinc/10/42/84/253104284.db2.gz HHCIIWLHBUAFDF-YJYMSZOUSA-N 2 2 315.436 3.312 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391576 253104286 /nfs/dbraw/zinc/10/42/86/253104286.db2.gz HHCIIWLHBUAFDF-YJYMSZOUSA-N 2 2 315.436 3.312 20 0 DGADLP COc1ccc([C@@H](C[NH2+][C@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000337347885 253093629 /nfs/dbraw/zinc/09/36/29/253093629.db2.gz YCHRXTSUIULFIE-VQIMIIECSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337802246 253177205 /nfs/dbraw/zinc/17/72/05/253177205.db2.gz IXSAXQSMPKTONU-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337802246 253177206 /nfs/dbraw/zinc/17/72/06/253177206.db2.gz IXSAXQSMPKTONU-LJQANCHMSA-N 2 2 324.472 3.175 20 0 DGADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000338044133 253215883 /nfs/dbraw/zinc/21/58/83/253215883.db2.gz ZAHVWQCILPOFCM-UHFFFAOYSA-N 2 2 311.429 3.296 20 0 DGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000338044133 253215885 /nfs/dbraw/zinc/21/58/85/253215885.db2.gz ZAHVWQCILPOFCM-UHFFFAOYSA-N 2 2 311.429 3.296 20 0 DGADLP c1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000337987390 253204863 /nfs/dbraw/zinc/20/48/63/253204863.db2.gz KHJUPMARHXZIKS-VQTJNVASSA-N 2 2 314.473 3.187 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000252712173 285104218 /nfs/dbraw/zinc/10/42/18/285104218.db2.gz LRDPFONUQZFGDS-QMTHXVAHSA-N 2 2 304.331 3.274 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000252712173 285104219 /nfs/dbraw/zinc/10/42/19/285104219.db2.gz LRDPFONUQZFGDS-QMTHXVAHSA-N 2 2 304.331 3.274 20 0 DGADLP Cc1ccc2c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)ccc(O)c2n1 ZINC000338285890 253257162 /nfs/dbraw/zinc/25/71/62/253257162.db2.gz LZFZONXMULBRSQ-UHFFFAOYSA-N 2 2 322.412 3.352 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000338343017 253268822 /nfs/dbraw/zinc/26/88/22/253268822.db2.gz GUMPACBOZMIHDD-GFCCVEGCSA-N 2 2 314.271 3.227 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000338343030 253268966 /nfs/dbraw/zinc/26/89/66/253268966.db2.gz GUMPACBOZMIHDD-LBPRGKRZSA-N 2 2 314.271 3.227 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000159065227 197323253 /nfs/dbraw/zinc/32/32/53/197323253.db2.gz GECBRETWXWORMV-ZDUSSCGKSA-N 2 2 312.404 3.116 20 0 DGADLP CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CCC[NH2+]CC1 ZINC000435393411 285129032 /nfs/dbraw/zinc/12/90/32/285129032.db2.gz ZMHZCDBGAJADHT-KGLIPLIRSA-N 2 2 307.507 3.232 20 0 DGADLP CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CCC[NH2+]CC1 ZINC000435393411 285129035 /nfs/dbraw/zinc/12/90/35/285129035.db2.gz ZMHZCDBGAJADHT-KGLIPLIRSA-N 2 2 307.507 3.232 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000158510334 197279296 /nfs/dbraw/zinc/27/92/96/197279296.db2.gz HSNQVHIMHSRRNS-HOTGVXAUSA-N 2 2 318.490 3.150 20 0 DGADLP C[N@@H+](Cc1nc2ccccc2n1C(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000158079904 197241855 /nfs/dbraw/zinc/24/18/55/197241855.db2.gz APOISEFITSUGBW-ZDUSSCGKSA-N 2 2 322.403 3.205 20 0 DGADLP C[N@H+](Cc1nc2ccccc2n1C(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000158079904 197241857 /nfs/dbraw/zinc/24/18/57/197241857.db2.gz APOISEFITSUGBW-ZDUSSCGKSA-N 2 2 322.403 3.205 20 0 DGADLP C[NH+](Cc1nc2ccccc2n1C(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000158079904 197241859 /nfs/dbraw/zinc/24/18/59/197241859.db2.gz APOISEFITSUGBW-ZDUSSCGKSA-N 2 2 322.403 3.205 20 0 DGADLP C[NH+](Cc1nc2ccccc2n1C(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000158079904 197241861 /nfs/dbraw/zinc/24/18/61/197241861.db2.gz APOISEFITSUGBW-ZDUSSCGKSA-N 2 2 322.403 3.205 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)CCn1cccn1)c1ccccc1 ZINC000157810546 197217712 /nfs/dbraw/zinc/21/77/12/197217712.db2.gz RSXZCSIHHAVQFV-DLBZAZTESA-N 2 2 314.477 3.381 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157878665 197223312 /nfs/dbraw/zinc/22/33/12/197223312.db2.gz JELIKIRXDJSUEU-LJHODMEESA-N 2 2 311.429 3.481 20 0 DGADLP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000342546353 254004844 /nfs/dbraw/zinc/00/48/44/254004844.db2.gz NSWGTOBAZZAQBG-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000342546353 254004845 /nfs/dbraw/zinc/00/48/45/254004845.db2.gz NSWGTOBAZZAQBG-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP C[NH+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000342546353 254004847 /nfs/dbraw/zinc/00/48/47/254004847.db2.gz NSWGTOBAZZAQBG-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP C[NH+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342546353 254004850 /nfs/dbraw/zinc/00/48/50/254004850.db2.gz NSWGTOBAZZAQBG-CYBMUJFWSA-N 2 2 316.367 3.359 20 0 DGADLP C[N@@H+](Cc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000342589837 254014169 /nfs/dbraw/zinc/01/41/69/254014169.db2.gz VPHAHTYMZOSGNV-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP C[N@H+](Cc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000342589837 254014171 /nfs/dbraw/zinc/01/41/71/254014171.db2.gz VPHAHTYMZOSGNV-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP C[NH+](Cc1ccccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000342589837 254014174 /nfs/dbraw/zinc/01/41/74/254014174.db2.gz VPHAHTYMZOSGNV-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP C[NH+](Cc1ccccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000342589837 254014176 /nfs/dbraw/zinc/01/41/76/254014176.db2.gz VPHAHTYMZOSGNV-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000342695902 254033905 /nfs/dbraw/zinc/03/39/05/254033905.db2.gz GPRMOHKYZOTJJZ-UHFFFAOYSA-N 2 2 310.482 3.059 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342733636 254039363 /nfs/dbraw/zinc/03/93/63/254039363.db2.gz USSYLCDELXEEAJ-HZPDHXFCSA-N 2 2 318.509 3.232 20 0 DGADLP CCC1CCC(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000342786669 254050515 /nfs/dbraw/zinc/05/05/15/254050515.db2.gz UJORDMVQKUMMRE-UHFFFAOYSA-N 2 2 324.509 3.210 20 0 DGADLP CCCN(CC[NH+]1CCCC1)c1[nH+]c2cccc(F)c2n1C ZINC000343268758 254122579 /nfs/dbraw/zinc/12/25/79/254122579.db2.gz WWKUEXRZZYIOPB-UHFFFAOYSA-N 2 2 304.413 3.025 20 0 DGADLP CC(C)[C@H](C[NH2+]CC1=CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000343086129 254097508 /nfs/dbraw/zinc/09/75/08/254097508.db2.gz SSABRAHHJKGRKY-FQEVSTJZSA-N 2 2 314.473 3.006 20 0 DGADLP CC(C)[C@H](C[NH2+]CC1=CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000343086129 254097510 /nfs/dbraw/zinc/09/75/10/254097510.db2.gz SSABRAHHJKGRKY-FQEVSTJZSA-N 2 2 314.473 3.006 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CCS2 ZINC000343467416 254148082 /nfs/dbraw/zinc/14/80/82/254148082.db2.gz MHPVPTDDYPXTAY-CSMYWGQOSA-N 2 2 318.486 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@H]1C)CCS2 ZINC000343467416 254148083 /nfs/dbraw/zinc/14/80/83/254148083.db2.gz MHPVPTDDYPXTAY-CSMYWGQOSA-N 2 2 318.486 3.304 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157463074 197189218 /nfs/dbraw/zinc/18/92/18/197189218.db2.gz PLYNJNWJVNUQMV-LJQANCHMSA-N 2 2 324.472 3.323 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157463074 197189220 /nfs/dbraw/zinc/18/92/20/197189220.db2.gz PLYNJNWJVNUQMV-LJQANCHMSA-N 2 2 324.472 3.323 20 0 DGADLP COc1cccc2c(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)cc[nH+]c12 ZINC000343625766 254169685 /nfs/dbraw/zinc/16/96/85/254169685.db2.gz LFESNPHEIUEMGY-LSDHHAIUSA-N 2 2 311.429 3.306 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000343672660 254176054 /nfs/dbraw/zinc/17/60/54/254176054.db2.gz WTIYHAYZMFQVPO-KANFNMMFSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000343672660 254176056 /nfs/dbraw/zinc/17/60/56/254176056.db2.gz WTIYHAYZMFQVPO-KANFNMMFSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000343946318 254205561 /nfs/dbraw/zinc/20/55/61/254205561.db2.gz XCTHBJOQPNKOKE-JKSUJKDBSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000343946318 254205563 /nfs/dbraw/zinc/20/55/63/254205563.db2.gz XCTHBJOQPNKOKE-JKSUJKDBSA-N 2 2 320.477 3.217 20 0 DGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000344023576 254214418 /nfs/dbraw/zinc/21/44/18/254214418.db2.gz OOCVLIYZNNHEGV-CABCVRRESA-N 2 2 316.445 3.103 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C)CCC2 ZINC000344108401 254226466 /nfs/dbraw/zinc/22/64/66/254226466.db2.gz RNPKFEFNGSQWLK-ULQDDVLXSA-N 2 2 319.493 3.498 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C)CCC2 ZINC000344108400 254226819 /nfs/dbraw/zinc/22/68/19/254226819.db2.gz RNPKFEFNGSQWLK-GVDBMIGSSA-N 2 2 319.493 3.498 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C12CCCC2 ZINC000344157829 254233510 /nfs/dbraw/zinc/23/35/10/254233510.db2.gz BJZFXRMEEGKOMU-JKSUJKDBSA-N 2 2 303.450 3.211 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)no1 ZINC000344195961 254237915 /nfs/dbraw/zinc/23/79/15/254237915.db2.gz JKJQRZFUEWSFGB-OAHLLOKOSA-N 2 2 310.401 3.121 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1(C)C ZINC000344688417 254295975 /nfs/dbraw/zinc/29/59/75/254295975.db2.gz BMIHXVIGVCAZNV-LAVFITLUSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1(C)C ZINC000344688417 254295976 /nfs/dbraw/zinc/29/59/76/254295976.db2.gz BMIHXVIGVCAZNV-LAVFITLUSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@@H+]1C ZINC000344634219 254291534 /nfs/dbraw/zinc/29/15/34/254291534.db2.gz RRBPIYRHRUITGB-VXGBXAGGSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@H+]1C ZINC000344634219 254291535 /nfs/dbraw/zinc/29/15/35/254291535.db2.gz RRBPIYRHRUITGB-VXGBXAGGSA-N 2 2 307.488 3.444 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)s2)o1 ZINC000344660351 254293701 /nfs/dbraw/zinc/29/37/01/254293701.db2.gz DNIQYTACJQCNPP-DGCLKSJQSA-N 2 2 305.447 3.284 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)o1 ZINC000344660351 254293702 /nfs/dbraw/zinc/29/37/02/254293702.db2.gz DNIQYTACJQCNPP-DGCLKSJQSA-N 2 2 305.447 3.284 20 0 DGADLP CO[C@]1(C)C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000344740480 254301686 /nfs/dbraw/zinc/30/16/86/254301686.db2.gz MDTGBJNUUHUJKT-PKOBYXMFSA-N 2 2 313.445 3.474 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000156584691 197125398 /nfs/dbraw/zinc/12/53/98/197125398.db2.gz DCEHACUPEAYPPH-GOSISDBHSA-N 2 2 314.429 3.221 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000274221109 285217961 /nfs/dbraw/zinc/21/79/61/285217961.db2.gz YXOCJBSKHUZQPK-HNNXBMFYSA-N 2 2 318.490 3.022 20 0 DGADLP Cc1[nH+]ccn1CCCN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000274221109 285217963 /nfs/dbraw/zinc/21/79/63/285217963.db2.gz YXOCJBSKHUZQPK-HNNXBMFYSA-N 2 2 318.490 3.022 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155021914 197014135 /nfs/dbraw/zinc/01/41/35/197014135.db2.gz PKIULPKMQAKKIH-BZPMIXESSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155021914 197014137 /nfs/dbraw/zinc/01/41/37/197014137.db2.gz PKIULPKMQAKKIH-BZPMIXESSA-N 2 2 305.447 3.221 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112706 285234714 /nfs/dbraw/zinc/23/47/14/285234714.db2.gz RJPNWVYXOKBGGC-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112706 285234715 /nfs/dbraw/zinc/23/47/15/285234715.db2.gz RJPNWVYXOKBGGC-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112706 285234716 /nfs/dbraw/zinc/23/47/16/285234716.db2.gz RJPNWVYXOKBGGC-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112706 285234717 /nfs/dbraw/zinc/23/47/17/285234717.db2.gz RJPNWVYXOKBGGC-FUHWJXTLSA-N 2 2 311.429 3.258 20 0 DGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc(C)c1O ZINC000289176677 220764830 /nfs/dbraw/zinc/76/48/30/220764830.db2.gz SJUAWHQZWZPZTL-UHFFFAOYSA-N 2 2 302.462 3.459 20 0 DGADLP COc1ccc(-c2cnc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)o2)cc1 ZINC000430582722 533184470 /nfs/dbraw/zinc/18/44/70/533184470.db2.gz XCKGAJMMXIKTIC-INIZCTEOSA-N 2 2 317.433 3.155 20 0 DGADLP COc1ccc(-c2cnc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o2)cc1 ZINC000430582722 533184477 /nfs/dbraw/zinc/18/44/77/533184477.db2.gz XCKGAJMMXIKTIC-INIZCTEOSA-N 2 2 317.433 3.155 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000290680673 285245573 /nfs/dbraw/zinc/24/55/73/285245573.db2.gz LXTJLXGQEVZVRM-LBPRGKRZSA-N 2 2 320.234 3.441 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422814535 533196842 /nfs/dbraw/zinc/19/68/42/533196842.db2.gz VIGJUIKYAFPGPB-KURKYZTESA-N 2 2 320.477 3.139 20 0 DGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc[nH+]cc1C)CC(C)C ZINC000120739485 195227335 /nfs/dbraw/zinc/22/73/35/195227335.db2.gz JULQJOAMCGOLPS-OAHLLOKOSA-N 2 2 306.454 3.268 20 0 DGADLP Brc1cscc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000302673973 285278226 /nfs/dbraw/zinc/27/82/26/285278226.db2.gz MROSMVYZJRAGGM-UHFFFAOYSA-N 2 2 314.252 3.277 20 0 DGADLP C[C@H](CO)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000271578200 209028427 /nfs/dbraw/zinc/02/84/27/209028427.db2.gz WQMWYZLLBNVAFF-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]1 ZINC000271563390 209015885 /nfs/dbraw/zinc/01/58/85/209015885.db2.gz UQSBFHMASXBLIU-OLZOCXBDSA-N 2 2 324.432 3.273 20 0 DGADLP CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]1 ZINC000271563391 209016039 /nfs/dbraw/zinc/01/60/39/209016039.db2.gz UQSBFHMASXBLIU-QWHCGFSZSA-N 2 2 324.432 3.273 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000289489610 221014050 /nfs/dbraw/zinc/01/40/50/221014050.db2.gz CIESKAGWHJGZRZ-OAHLLOKOSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000289489610 221014051 /nfs/dbraw/zinc/01/40/51/221014051.db2.gz CIESKAGWHJGZRZ-OAHLLOKOSA-N 2 2 321.465 3.168 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478069 221003876 /nfs/dbraw/zinc/00/38/76/221003876.db2.gz HYMFLZUCAIJXRN-WFASDCNBSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478069 221003879 /nfs/dbraw/zinc/00/38/79/221003879.db2.gz HYMFLZUCAIJXRN-WFASDCNBSA-N 2 2 304.459 3.007 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000289507805 221026561 /nfs/dbraw/zinc/02/65/61/221026561.db2.gz FCASBXDEUINXQN-QFIPXVFZSA-N 2 2 316.470 3.192 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000289507805 221026563 /nfs/dbraw/zinc/02/65/63/221026563.db2.gz FCASBXDEUINXQN-QFIPXVFZSA-N 2 2 316.470 3.192 20 0 DGADLP FC1(F)CCCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295209131 224553352 /nfs/dbraw/zinc/55/33/52/224553352.db2.gz ZTHQGNINQIMHLA-CQSZACIVSA-N 2 2 309.404 3.466 20 0 DGADLP c1sc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000352540215 285355348 /nfs/dbraw/zinc/35/53/48/285355348.db2.gz IJMAXGJQXZDEQX-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP c1sc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000352540215 285355349 /nfs/dbraw/zinc/35/53/49/285355349.db2.gz IJMAXGJQXZDEQX-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451029 285358159 /nfs/dbraw/zinc/35/81/59/285358159.db2.gz VQNDOYPGDOYEKO-RHSMWYFYSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451029 285358160 /nfs/dbraw/zinc/35/81/60/285358160.db2.gz VQNDOYPGDOYEKO-RHSMWYFYSA-N 2 2 320.477 3.017 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2CCSCC2)n1-c1ccccc1 ZINC000122173827 195414084 /nfs/dbraw/zinc/41/40/84/195414084.db2.gz WJTUUYGQGCIAIB-UHFFFAOYSA-N 2 2 301.459 3.414 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000469293684 285376589 /nfs/dbraw/zinc/37/65/89/285376589.db2.gz IKTSVCKUCMPZFI-RTBURBONSA-N 3 2 321.553 3.495 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000469293684 285376590 /nfs/dbraw/zinc/37/65/90/285376590.db2.gz IKTSVCKUCMPZFI-RTBURBONSA-N 3 2 321.553 3.495 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000356581200 285395755 /nfs/dbraw/zinc/39/57/55/285395755.db2.gz RTUIOCLZNYOFPX-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000356581200 285395759 /nfs/dbraw/zinc/39/57/59/285395759.db2.gz RTUIOCLZNYOFPX-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000356581200 285395762 /nfs/dbraw/zinc/39/57/62/285395762.db2.gz RTUIOCLZNYOFPX-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000356581200 285395764 /nfs/dbraw/zinc/39/57/64/285395764.db2.gz RTUIOCLZNYOFPX-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@]1(C)CCCO1 ZINC000428463975 533339932 /nfs/dbraw/zinc/33/99/32/533339932.db2.gz WPVOXZKQIZFAKV-GPMSIDNRSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)sc1Br ZINC000415120919 533623255 /nfs/dbraw/zinc/62/32/55/533623255.db2.gz GPZNYVGYXWXRBL-MWLCHTKSSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)sc1Br ZINC000415120919 533623262 /nfs/dbraw/zinc/62/32/62/533623262.db2.gz GPZNYVGYXWXRBL-MWLCHTKSSA-N 2 2 317.296 3.236 20 0 DGADLP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423271869 292034950 /nfs/dbraw/zinc/03/49/50/292034950.db2.gz YGTRKIRXVIBKME-FZMZJTMJSA-N 2 2 310.463 3.093 20 0 DGADLP CC[C@H](CCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188796 545824877 /nfs/dbraw/zinc/82/48/77/545824877.db2.gz LJTVFZSJXUNQRB-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](CCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188796 545824881 /nfs/dbraw/zinc/82/48/81/545824881.db2.gz LJTVFZSJXUNQRB-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP c1c[nH+]c([C@@H](Nc2cc3c(c[nH+]2)CCCC3)c2cccnc2)[nH]1 ZINC000584872967 400118198 /nfs/dbraw/zinc/11/81/98/400118198.db2.gz NOKMKEWKWALGLZ-KRWDZBQOSA-N 2 2 305.385 3.280 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000091306362 400112308 /nfs/dbraw/zinc/11/23/08/400112308.db2.gz XNXOETFADNQBAO-RHSMWYFYSA-N 2 2 310.869 3.083 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000090847214 400079126 /nfs/dbraw/zinc/07/91/26/400079126.db2.gz MTSLZFSVWMZXNJ-AWEZNQCLSA-N 2 2 300.402 3.301 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043248 400149488 /nfs/dbraw/zinc/14/94/88/400149488.db2.gz CALOSNKPQOIRDM-ZFWWWQNUSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043248 400149492 /nfs/dbraw/zinc/14/94/92/400149492.db2.gz CALOSNKPQOIRDM-ZFWWWQNUSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043248 400149499 /nfs/dbraw/zinc/14/94/99/400149499.db2.gz CALOSNKPQOIRDM-ZFWWWQNUSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043248 400149506 /nfs/dbraw/zinc/14/95/06/400149506.db2.gz CALOSNKPQOIRDM-ZFWWWQNUSA-N 2 2 316.474 3.054 20 0 DGADLP CCc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066164 400151375 /nfs/dbraw/zinc/15/13/75/400151375.db2.gz MHTBYJYIXVPNLH-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066164 400151376 /nfs/dbraw/zinc/15/13/76/400151376.db2.gz MHTBYJYIXVPNLH-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000092066164 400151381 /nfs/dbraw/zinc/15/13/81/400151381.db2.gz MHTBYJYIXVPNLH-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000092066164 400151386 /nfs/dbraw/zinc/15/13/86/400151386.db2.gz MHTBYJYIXVPNLH-CJNGLKHVSA-N 2 2 305.491 3.154 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000092072670 400154367 /nfs/dbraw/zinc/15/43/67/400154367.db2.gz XPPRDEKDJCZHHP-STQMWFEESA-N 2 2 316.474 3.371 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000092072670 400154372 /nfs/dbraw/zinc/15/43/72/400154372.db2.gz XPPRDEKDJCZHHP-STQMWFEESA-N 2 2 316.474 3.371 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000092738591 400199548 /nfs/dbraw/zinc/19/95/48/400199548.db2.gz QWUGULCGZULPDI-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](C)CC3)c2cc1C ZINC000068828146 400293121 /nfs/dbraw/zinc/29/31/21/400293121.db2.gz WIZDIUZIJGWQEB-YOEHRIQHSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](C)CC3)c2cc1C ZINC000068828146 400293129 /nfs/dbraw/zinc/29/31/29/400293129.db2.gz WIZDIUZIJGWQEB-YOEHRIQHSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589635518 400311222 /nfs/dbraw/zinc/31/12/22/400311222.db2.gz XPJYYNJBPJINSM-UHFFFAOYSA-N 2 2 319.412 3.401 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866142 400258679 /nfs/dbraw/zinc/25/86/79/400258679.db2.gz NQASLXYOTYQMCN-AWEZNQCLSA-N 2 2 317.458 3.489 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093866142 400258683 /nfs/dbraw/zinc/25/86/83/400258683.db2.gz NQASLXYOTYQMCN-AWEZNQCLSA-N 2 2 317.458 3.489 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869478 400567723 /nfs/dbraw/zinc/56/77/23/400567723.db2.gz YTKZYPVQHHDREZ-AWEZNQCLSA-N 2 2 307.344 3.322 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869478 400567732 /nfs/dbraw/zinc/56/77/32/400567732.db2.gz YTKZYPVQHHDREZ-AWEZNQCLSA-N 2 2 307.344 3.322 20 0 DGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cnc21 ZINC000591869425 400568152 /nfs/dbraw/zinc/56/81/52/400568152.db2.gz VMKOLPQOAAIFOG-QGZVFWFLSA-N 2 2 324.432 3.046 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000075766415 400610598 /nfs/dbraw/zinc/61/05/98/400610598.db2.gz VNEQLVFXQCUMDY-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000075766415 400610605 /nfs/dbraw/zinc/61/06/05/400610605.db2.gz VNEQLVFXQCUMDY-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000075766415 400610610 /nfs/dbraw/zinc/61/06/10/400610610.db2.gz VNEQLVFXQCUMDY-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000075766415 400610612 /nfs/dbraw/zinc/61/06/12/400610612.db2.gz VNEQLVFXQCUMDY-MRXNPFEDSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1cc(N2CC[NH+]([C@H]3C=CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000076668262 400665930 /nfs/dbraw/zinc/66/59/30/400665930.db2.gz SNIAJRLNFWWENN-INIZCTEOSA-N 2 2 300.450 3.139 20 0 DGADLP Cn1c[nH+]c(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000603344507 400672041 /nfs/dbraw/zinc/67/20/41/400672041.db2.gz UXHQZIXYFNUJPG-QGZVFWFLSA-N 2 2 301.459 3.318 20 0 DGADLP Cn1c[nH+]c(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000603344507 400672047 /nfs/dbraw/zinc/67/20/47/400672047.db2.gz UXHQZIXYFNUJPG-QGZVFWFLSA-N 2 2 301.459 3.318 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152374662 400679444 /nfs/dbraw/zinc/67/94/44/400679444.db2.gz KJWPZDQIBKODIV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152374662 400679447 /nfs/dbraw/zinc/67/94/47/400679447.db2.gz KJWPZDQIBKODIV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000152374662 400679451 /nfs/dbraw/zinc/67/94/51/400679451.db2.gz KJWPZDQIBKODIV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1ncc(-c2ccc(F)cc2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152374662 400679458 /nfs/dbraw/zinc/67/94/58/400679458.db2.gz KJWPZDQIBKODIV-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP O[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1Cl ZINC000052005247 400713990 /nfs/dbraw/zinc/71/39/90/400713990.db2.gz QFDHSRJAGMXQOH-SFHVURJKSA-N 2 2 322.880 3.324 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(-c2cc3ccccc3o2)n1 ZINC000166356095 400753695 /nfs/dbraw/zinc/75/36/95/400753695.db2.gz SQDHAHRNBGLUQC-MRXNPFEDSA-N 2 2 324.428 3.017 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(-c2cc3ccccc3o2)n1 ZINC000166356095 400753700 /nfs/dbraw/zinc/75/37/00/400753700.db2.gz SQDHAHRNBGLUQC-MRXNPFEDSA-N 2 2 324.428 3.017 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](CCSCc3ccccc3)C2)c[nH+]1 ZINC000619158680 400784574 /nfs/dbraw/zinc/78/45/74/400784574.db2.gz RGMWGVQRMVJGQL-KRWDZBQOSA-N 2 2 301.459 3.453 20 0 DGADLP c1cn([C@H]2CCC[N@H+](CCSCc3ccccc3)C2)c[nH+]1 ZINC000619158680 400784578 /nfs/dbraw/zinc/78/45/78/400784578.db2.gz RGMWGVQRMVJGQL-KRWDZBQOSA-N 2 2 301.459 3.453 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000358150752 285983465 /nfs/dbraw/zinc/98/34/65/285983465.db2.gz GWRWYAPTGRGQLV-MAUKXSAKSA-N 2 2 302.462 3.109 20 0 DGADLP Clc1ccc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000613997385 400824225 /nfs/dbraw/zinc/82/42/25/400824225.db2.gz XQNQTXJFASJGRX-STQMWFEESA-N 2 2 319.861 3.115 20 0 DGADLP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000619425097 400845094 /nfs/dbraw/zinc/84/50/94/400845094.db2.gz LHUMECVEVGHRMZ-WMZOPIPTSA-N 2 2 304.434 3.034 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835239 400913721 /nfs/dbraw/zinc/91/37/21/400913721.db2.gz WVGVGYFKTSVFMU-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835239 400913727 /nfs/dbraw/zinc/91/37/27/400913727.db2.gz WVGVGYFKTSVFMU-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629653706 401019848 /nfs/dbraw/zinc/01/98/48/401019848.db2.gz FPFHADYJYYPDLI-MFKMUULPSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629653706 401019856 /nfs/dbraw/zinc/01/98/56/401019856.db2.gz FPFHADYJYYPDLI-MFKMUULPSA-N 2 2 324.749 3.438 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288017 401011772 /nfs/dbraw/zinc/01/17/72/401011772.db2.gz OCDRBSOUTUHGBD-HOTGVXAUSA-N 2 2 321.465 3.276 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288017 401011780 /nfs/dbraw/zinc/01/17/80/401011780.db2.gz OCDRBSOUTUHGBD-HOTGVXAUSA-N 2 2 321.465 3.276 20 0 DGADLP Cc1ccc(N2CCC(Nc3[nH+]c(C)nc4[nH]ccc43)CC2)[nH+]c1 ZINC000081004478 401016186 /nfs/dbraw/zinc/01/61/86/401016186.db2.gz ZDXOOLKXAZUHRB-UHFFFAOYSA-N 2 2 322.416 3.051 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000629532341 400964091 /nfs/dbraw/zinc/96/40/91/400964091.db2.gz WFMBROUMJWXJDX-PDWMJMLSSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559804 400975312 /nfs/dbraw/zinc/97/53/12/400975312.db2.gz CMZYWYOSWAIANS-YUSALJHKSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559804 400975316 /nfs/dbraw/zinc/97/53/16/400975316.db2.gz CMZYWYOSWAIANS-YUSALJHKSA-N 2 2 322.321 3.485 20 0 DGADLP Cc1cccc2[nH+]c(CN3CCCc4cccc(C[NH3+])c43)cn21 ZINC000629559609 400975616 /nfs/dbraw/zinc/97/56/16/400975616.db2.gz GHEKHSBBQDWKTQ-UHFFFAOYSA-N 2 2 306.413 3.054 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2sccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566577 400979180 /nfs/dbraw/zinc/97/91/80/400979180.db2.gz ZRPWCSKZJANKDJ-RKDXNWHRSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2sccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566577 400979185 /nfs/dbraw/zinc/97/91/85/400979185.db2.gz ZRPWCSKZJANKDJ-RKDXNWHRSA-N 2 2 312.788 3.361 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000625177956 401049678 /nfs/dbraw/zinc/04/96/78/401049678.db2.gz BCTAQDITWRLMRC-OAHLLOKOSA-N 2 2 308.853 3.496 20 0 DGADLP C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710356 401054279 /nfs/dbraw/zinc/05/42/79/401054279.db2.gz RQCYLMFMAMSQTB-MGPUTAFESA-N 2 2 323.440 3.398 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656968 401022505 /nfs/dbraw/zinc/02/25/05/401022505.db2.gz SFPUOVWNLLWFBG-KGLIPLIRSA-N 2 2 316.367 3.044 20 0 DGADLP CCOc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656968 401022510 /nfs/dbraw/zinc/02/25/10/401022510.db2.gz SFPUOVWNLLWFBG-KGLIPLIRSA-N 2 2 316.367 3.044 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cscc2Cl)CC[C@@H]1C(F)(F)F ZINC000629657411 401022844 /nfs/dbraw/zinc/02/28/44/401022844.db2.gz XNFIPSFEGGGEES-WPRPVWTQSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cscc2Cl)CC[C@@H]1C(F)(F)F ZINC000629657411 401022850 /nfs/dbraw/zinc/02/28/50/401022850.db2.gz XNFIPSFEGGGEES-WPRPVWTQSA-N 2 2 312.788 3.361 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224284 286002917 /nfs/dbraw/zinc/00/29/17/286002917.db2.gz BTLOQMHZMCHVEI-JLTOFOAXSA-N 2 2 324.424 3.303 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2c(ccc3ccccc23)o1 ZINC000358224284 286002918 /nfs/dbraw/zinc/00/29/18/286002918.db2.gz BTLOQMHZMCHVEI-JLTOFOAXSA-N 2 2 324.424 3.303 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c[nH+]c12 ZINC000594622845 401137095 /nfs/dbraw/zinc/13/70/95/401137095.db2.gz GYAGVZLZYMRYFI-MRXNPFEDSA-N 2 2 317.433 3.099 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c[nH+]1 ZINC000594623625 401138964 /nfs/dbraw/zinc/13/89/64/401138964.db2.gz NRYTVTUVYHQSQZ-KRWDZBQOSA-N 2 2 306.450 3.279 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000358229385 286004434 /nfs/dbraw/zinc/00/44/34/286004434.db2.gz QKJHRRYNHYTJHM-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239349 286008025 /nfs/dbraw/zinc/00/80/25/286008025.db2.gz ORIHMGBVOXEVFO-FMKPAKJESA-N 2 2 305.466 3.077 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239349 286008026 /nfs/dbraw/zinc/00/80/26/286008026.db2.gz ORIHMGBVOXEVFO-FMKPAKJESA-N 2 2 305.466 3.077 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000594746365 401168776 /nfs/dbraw/zinc/16/87/76/401168776.db2.gz CUQDUPXGEYCXCS-MRXNPFEDSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000594746365 401168779 /nfs/dbraw/zinc/16/87/79/401168779.db2.gz CUQDUPXGEYCXCS-MRXNPFEDSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000088684416 401204583 /nfs/dbraw/zinc/20/45/83/401204583.db2.gz IRYUXUXCXZYGGL-QFBILLFUSA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000088684416 401204592 /nfs/dbraw/zinc/20/45/92/401204592.db2.gz IRYUXUXCXZYGGL-QFBILLFUSA-N 3 2 312.461 3.007 20 0 DGADLP CCC(CC)[C@@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)OC ZINC000358342619 286036705 /nfs/dbraw/zinc/03/67/05/286036705.db2.gz FUJVZFDZCFAKEB-GOSISDBHSA-N 2 2 319.493 3.481 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000090667183 401271261 /nfs/dbraw/zinc/27/12/61/401271261.db2.gz XFKVWGAJCYOWMX-HOTGVXAUSA-N 2 2 317.477 3.012 20 0 DGADLP CCCc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)s1 ZINC000621722145 401285350 /nfs/dbraw/zinc/28/53/50/401285350.db2.gz MKXKNQSGAVXQGY-UHFFFAOYSA-N 2 2 316.474 3.121 20 0 DGADLP CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000089555195 401227773 /nfs/dbraw/zinc/22/77/73/401227773.db2.gz RWLLCGMTNLWUCU-OLECLDRESA-N 2 2 301.478 3.460 20 0 DGADLP CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000089555195 401227776 /nfs/dbraw/zinc/22/77/76/401227776.db2.gz RWLLCGMTNLWUCU-OLECLDRESA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000090046857 401249544 /nfs/dbraw/zinc/24/95/44/401249544.db2.gz FRXXTAAPRNYQCS-CHWSQXEVSA-N 2 2 314.832 3.241 20 0 DGADLP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090085752 401255020 /nfs/dbraw/zinc/25/50/20/401255020.db2.gz CNGGTXLCXZPHNF-GJZGRUSLSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090085760 401255399 /nfs/dbraw/zinc/25/53/99/401255399.db2.gz CNGGTXLCXZPHNF-HUUCEWRRSA-N 2 2 301.434 3.320 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3ncccc23)C[C@H]1c1cccc(F)c1 ZINC000634688126 401334870 /nfs/dbraw/zinc/33/48/70/401334870.db2.gz ISKDKIIXIPPHDH-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3ncccc23)C[C@H]1c1cccc(F)c1 ZINC000634688126 401334874 /nfs/dbraw/zinc/33/48/74/401334874.db2.gz ISKDKIIXIPPHDH-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1OC ZINC000622004250 401335402 /nfs/dbraw/zinc/33/54/02/401335402.db2.gz MNTCAZYGYWRYLO-GMBSWORKSA-N 2 2 318.461 3.186 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1OC ZINC000622004250 401335404 /nfs/dbraw/zinc/33/54/04/401335404.db2.gz MNTCAZYGYWRYLO-GMBSWORKSA-N 2 2 318.461 3.186 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781558 401298901 /nfs/dbraw/zinc/29/89/01/401298901.db2.gz GHCLOEFGSQRTGT-GUYCJALGSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c3cccnc13)C2 ZINC000621781558 401298905 /nfs/dbraw/zinc/29/89/05/401298905.db2.gz GHCLOEFGSQRTGT-GUYCJALGSA-N 2 2 301.821 3.201 20 0 DGADLP COC1CC[NH+](CC[NH2+]C/C=C/c2cc(C)c(C)cc2C)CC1 ZINC000631084746 401388687 /nfs/dbraw/zinc/38/86/87/401388687.db2.gz DWGPCEMWCOTDLD-AATRIKPKSA-N 2 2 316.489 3.325 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc2nccnc2c1)[N@H+](C)Cc1ccccc1 ZINC000634961412 401389670 /nfs/dbraw/zinc/38/96/70/401389670.db2.gz UMFFLMNGPMDTMI-MRXNPFEDSA-N 2 2 320.440 3.240 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc2nccnc2c1)[N@@H+](C)Cc1ccccc1 ZINC000634961412 401389674 /nfs/dbraw/zinc/38/96/74/401389674.db2.gz UMFFLMNGPMDTMI-MRXNPFEDSA-N 2 2 320.440 3.240 20 0 DGADLP C[C@H]([NH2+]Cc1ccc2nccnc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000634975846 401393682 /nfs/dbraw/zinc/39/36/82/401393682.db2.gz ITAXKKHFLRBCON-YWZLYKJASA-N 2 2 320.440 3.411 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@@H+](C)CC(C)(C)C)[nH+]1 ZINC000635704103 401475072 /nfs/dbraw/zinc/47/50/72/401475072.db2.gz CLLIITGOEMIICF-UHFFFAOYSA-N 2 2 314.433 3.302 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@H+](C)CC(C)(C)C)[nH+]1 ZINC000635704103 401475074 /nfs/dbraw/zinc/47/50/74/401475074.db2.gz CLLIITGOEMIICF-UHFFFAOYSA-N 2 2 314.433 3.302 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1F ZINC000631194783 401422510 /nfs/dbraw/zinc/42/25/10/401422510.db2.gz PNMNWUAEUOLAID-MAUKXSAKSA-N 2 2 313.420 3.078 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1F ZINC000631194783 401422513 /nfs/dbraw/zinc/42/25/13/401422513.db2.gz PNMNWUAEUOLAID-MAUKXSAKSA-N 2 2 313.420 3.078 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259037 401440067 /nfs/dbraw/zinc/44/00/67/401440067.db2.gz HXMUIAZODDVMQR-RTBURBONSA-N 2 2 314.473 3.261 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259037 401440072 /nfs/dbraw/zinc/44/00/72/401440072.db2.gz HXMUIAZODDVMQR-RTBURBONSA-N 2 2 314.473 3.261 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]Cc2cccc3n[nH]cc32)[NH+](C)C)cc1 ZINC000623383200 401505545 /nfs/dbraw/zinc/50/55/45/401505545.db2.gz IUGDZZIFPIYCFP-LJQANCHMSA-N 2 2 308.429 3.264 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1OC ZINC000631590532 401508112 /nfs/dbraw/zinc/50/81/12/401508112.db2.gz PNFWPTRTMGNCPK-RRQGHBQHSA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1OC ZINC000631590532 401508113 /nfs/dbraw/zinc/50/81/13/401508113.db2.gz PNFWPTRTMGNCPK-RRQGHBQHSA-N 2 2 318.461 3.227 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000631654740 401525442 /nfs/dbraw/zinc/52/54/42/401525442.db2.gz GRHYYTAICGSGIX-WQVQDQMGSA-N 2 2 322.399 3.010 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000631654740 401525444 /nfs/dbraw/zinc/52/54/44/401525444.db2.gz GRHYYTAICGSGIX-WQVQDQMGSA-N 2 2 322.399 3.010 20 0 DGADLP Cc1[nH]c(CN(C)C2CC[NH+](Cc3ccccc3)CC2)[nH+]c1C ZINC000628163749 401539892 /nfs/dbraw/zinc/53/98/92/401539892.db2.gz QFYWEYZZFSNYQN-UHFFFAOYSA-N 2 2 312.461 3.123 20 0 DGADLP c1nc(C2CC2)oc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000628255566 401562044 /nfs/dbraw/zinc/56/20/44/401562044.db2.gz RJUHBPPKFZISOL-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP c1nc(C2CC2)oc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000628255566 401562046 /nfs/dbraw/zinc/56/20/46/401562046.db2.gz RJUHBPPKFZISOL-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000628255566 401562049 /nfs/dbraw/zinc/56/20/49/401562049.db2.gz RJUHBPPKFZISOL-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000628255566 401562052 /nfs/dbraw/zinc/56/20/52/401562052.db2.gz RJUHBPPKFZISOL-HDICACEKSA-N 2 2 323.440 3.116 20 0 DGADLP Clc1cc2cccnc2c(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631867718 401562352 /nfs/dbraw/zinc/56/23/52/401562352.db2.gz GQYMNLZIIIXODG-PBHICJAKSA-N 2 2 301.821 3.120 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(C(F)(F)F)c1 ZINC000628279853 401566123 /nfs/dbraw/zinc/56/61/23/401566123.db2.gz CUYCMCILFUGENX-UHFFFAOYSA-N 2 2 303.353 3.486 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(C(F)(F)F)c1 ZINC000628279853 401566126 /nfs/dbraw/zinc/56/61/26/401566126.db2.gz CUYCMCILFUGENX-UHFFFAOYSA-N 2 2 303.353 3.486 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623923097 401599853 /nfs/dbraw/zinc/59/98/53/401599853.db2.gz SMSCALPBQURGMA-LSDHHAIUSA-N 2 2 307.507 3.478 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623923097 401599856 /nfs/dbraw/zinc/59/98/56/401599856.db2.gz SMSCALPBQURGMA-LSDHHAIUSA-N 2 2 307.507 3.478 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@@H+]1C1CC1 ZINC000623784677 401579182 /nfs/dbraw/zinc/57/91/82/401579182.db2.gz FADDSCHEOPVMPO-YJBOKZPZSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@H+]1C1CC1 ZINC000623784677 401579184 /nfs/dbraw/zinc/57/91/84/401579184.db2.gz FADDSCHEOPVMPO-YJBOKZPZSA-N 2 2 307.441 3.463 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(F)c(Br)cc1F ZINC000623849617 401587333 /nfs/dbraw/zinc/58/73/33/401587333.db2.gz KQOPYGHHUMAFRG-SECBINFHSA-N 2 2 321.209 3.330 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000628181528 401543156 /nfs/dbraw/zinc/54/31/56/401543156.db2.gz GRHHJBQUQMSCQX-GJZGRUSLSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000628181528 401543157 /nfs/dbraw/zinc/54/31/57/401543157.db2.gz GRHHJBQUQMSCQX-GJZGRUSLSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000631748650 401549430 /nfs/dbraw/zinc/54/94/30/401549430.db2.gz IJGKKEZPJMAVLL-FXAWDEMLSA-N 2 2 316.489 3.364 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H](C)CC3CCOCC3)C2)cc1 ZINC000631748650 401549432 /nfs/dbraw/zinc/54/94/32/401549432.db2.gz IJGKKEZPJMAVLL-FXAWDEMLSA-N 2 2 316.489 3.364 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000628452775 401598811 /nfs/dbraw/zinc/59/88/11/401598811.db2.gz ZXHWLVZRWJNUEM-IHWYPQMZSA-N 2 2 318.436 3.026 20 0 DGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000628241772 401559151 /nfs/dbraw/zinc/55/91/51/401559151.db2.gz GRVGUFWJGNYXSN-CQSZACIVSA-N 2 2 309.335 3.049 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cc(C)ccc1C ZINC000623991400 401609837 /nfs/dbraw/zinc/60/98/37/401609837.db2.gz GTECFNNJFNPEON-PKOBYXMFSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cc(C)ccc1C ZINC000623991400 401609839 /nfs/dbraw/zinc/60/98/39/401609839.db2.gz GTECFNNJFNPEON-PKOBYXMFSA-N 2 2 304.478 3.191 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCc4scnc43)cn21 ZINC000624006505 401611671 /nfs/dbraw/zinc/61/16/71/401611671.db2.gz YWUJKVVFHOGROA-AWEZNQCLSA-N 2 2 312.442 3.309 20 0 DGADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000358708090 286129209 /nfs/dbraw/zinc/12/92/09/286129209.db2.gz AMDLHDHRHDLMRX-SFHVURJKSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000358836870 286165310 /nfs/dbraw/zinc/16/53/10/286165310.db2.gz WKIRMQYPCJMJJF-KBXCAEBGSA-N 2 2 305.441 3.353 20 0 DGADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000358994048 286209073 /nfs/dbraw/zinc/20/90/73/286209073.db2.gz BGIHXAUYHATINY-GUYCJALGSA-N 2 2 305.372 3.463 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000359293675 286277101 /nfs/dbraw/zinc/27/71/01/286277101.db2.gz TVBDSBITNJWEBX-NEPJUHHUSA-N 2 2 317.824 3.163 20 0 DGADLP [NH3+]CCC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1 ZINC000359456625 286312315 /nfs/dbraw/zinc/31/23/15/286312315.db2.gz LZLHRLQLTSQBQQ-UHFFFAOYSA-N 2 2 320.440 3.428 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1 ZINC000359456625 286312317 /nfs/dbraw/zinc/31/23/17/286312317.db2.gz LZLHRLQLTSQBQQ-UHFFFAOYSA-N 2 2 320.440 3.428 20 0 DGADLP COc1ccc(F)cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000359466552 286314259 /nfs/dbraw/zinc/31/42/59/286314259.db2.gz JEQHKHKLEHJWQN-UHFFFAOYSA-N 2 2 312.348 3.086 20 0 DGADLP C[C@H](CCCC(F)(F)F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000359640543 286352187 /nfs/dbraw/zinc/35/21/87/286352187.db2.gz PRFHZJACBCPDGE-GFCCVEGCSA-N 2 2 303.372 3.473 20 0 DGADLP COC1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCCC1 ZINC000359673149 286358274 /nfs/dbraw/zinc/35/82/74/286358274.db2.gz CZVZVYQAOHHRAO-INIZCTEOSA-N 2 2 317.477 3.156 20 0 DGADLP CC[C@H](C[NH2+][C@H](COC)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000359662763 286356346 /nfs/dbraw/zinc/35/63/46/286356346.db2.gz KWMNFNOWGUSAGH-RTBURBONSA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@H](C[NH2+][C@H](COC)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000359662763 286356348 /nfs/dbraw/zinc/35/63/48/286356348.db2.gz KWMNFNOWGUSAGH-RTBURBONSA-N 2 2 304.478 3.084 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000359709955 286365794 /nfs/dbraw/zinc/36/57/94/286365794.db2.gz HGLQRYAXJGQXIX-KGLIPLIRSA-N 2 2 310.404 3.054 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000359709955 286365795 /nfs/dbraw/zinc/36/57/95/286365795.db2.gz HGLQRYAXJGQXIX-KGLIPLIRSA-N 2 2 310.404 3.054 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000342619513 286364285 /nfs/dbraw/zinc/36/42/85/286364285.db2.gz RRQHKSKXJWFLSE-MCRSOVSTSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000342619513 286364286 /nfs/dbraw/zinc/36/42/86/286364286.db2.gz RRQHKSKXJWFLSE-MCRSOVSTSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423027338 286375923 /nfs/dbraw/zinc/37/59/23/286375923.db2.gz DBLLAWUBHRNFOE-BZSNNMDCSA-N 2 2 320.502 3.364 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](Cc2ccccn2)c2ccccc2)[C@@H](C)C1 ZINC000359969311 286399049 /nfs/dbraw/zinc/39/90/49/286399049.db2.gz HAZQNZQUYFMJRD-DBVUQKKJSA-N 2 2 309.457 3.295 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](Cc2ccccn2)c2ccccc2)[C@@H](C)C1 ZINC000359969311 286399050 /nfs/dbraw/zinc/39/90/50/286399050.db2.gz HAZQNZQUYFMJRD-DBVUQKKJSA-N 2 2 309.457 3.295 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000360589725 286504938 /nfs/dbraw/zinc/50/49/38/286504938.db2.gz WGADFXYVVIYSIT-OAHLLOKOSA-N 2 2 305.397 3.162 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCOCC2CC2)CC1 ZINC000361350219 286659012 /nfs/dbraw/zinc/65/90/12/286659012.db2.gz CYZZXMFZALNUEX-UHFFFAOYSA-N 2 2 313.445 3.408 20 0 DGADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000474482145 287036379 /nfs/dbraw/zinc/03/63/79/287036379.db2.gz XNSGNBSZGNUIGH-QAPCUYQASA-N 2 2 306.519 3.281 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000364645069 287048194 /nfs/dbraw/zinc/04/81/94/287048194.db2.gz JYCJKSRMZOARFT-AWEZNQCLSA-N 2 2 307.438 3.101 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000364645069 287048196 /nfs/dbraw/zinc/04/81/96/287048196.db2.gz JYCJKSRMZOARFT-AWEZNQCLSA-N 2 2 307.438 3.101 20 0 DGADLP C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000134785108 287062254 /nfs/dbraw/zinc/06/22/54/287062254.db2.gz AKXPUGLUVRJGAJ-FDPIWHGQSA-N 2 2 323.440 3.481 20 0 DGADLP CC(C)c1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC000365020628 287088012 /nfs/dbraw/zinc/08/80/12/287088012.db2.gz RAHCZTZRYGTTSI-GDBMZVCRSA-N 2 2 302.466 3.254 20 0 DGADLP CC(C)c1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC000365020628 287088016 /nfs/dbraw/zinc/08/80/16/287088016.db2.gz RAHCZTZRYGTTSI-GDBMZVCRSA-N 2 2 302.466 3.254 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000188988048 165145055 /nfs/dbraw/zinc/14/50/55/165145055.db2.gz QOAPNZOEAFMTKC-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP c1cn(C2CC[NH+](CCSCc3ccccc3)CC2)c[nH+]1 ZINC000191070131 165229087 /nfs/dbraw/zinc/22/90/87/165229087.db2.gz IEKCLUOACIYEBV-UHFFFAOYSA-N 2 2 301.459 3.453 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000192075641 165279736 /nfs/dbraw/zinc/27/97/36/165279736.db2.gz AVQAAPNBVWRFFH-GUYCJALGSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000192075641 165279744 /nfs/dbraw/zinc/27/97/44/165279744.db2.gz AVQAAPNBVWRFFH-GUYCJALGSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000192075641 165279748 /nfs/dbraw/zinc/27/97/48/165279748.db2.gz AVQAAPNBVWRFFH-GUYCJALGSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000192075641 165279752 /nfs/dbraw/zinc/27/97/52/165279752.db2.gz AVQAAPNBVWRFFH-GUYCJALGSA-N 2 2 308.853 3.265 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000192078914 165281384 /nfs/dbraw/zinc/28/13/84/165281384.db2.gz GPYUUPNHLVFQMQ-IEBWSBKVSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000192078914 165281386 /nfs/dbraw/zinc/28/13/86/165281386.db2.gz GPYUUPNHLVFQMQ-IEBWSBKVSA-N 2 2 311.429 3.182 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577551 165379891 /nfs/dbraw/zinc/37/98/91/165379891.db2.gz WUDHVXHFEGYXDD-BXUZGUMPSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000219577551 165379894 /nfs/dbraw/zinc/37/98/94/165379894.db2.gz WUDHVXHFEGYXDD-BXUZGUMPSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344071 165385726 /nfs/dbraw/zinc/38/57/26/165385726.db2.gz GPIOUOXBOFKITB-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344071 165385730 /nfs/dbraw/zinc/38/57/30/165385730.db2.gz GPIOUOXBOFKITB-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344071 165385731 /nfs/dbraw/zinc/38/57/31/165385731.db2.gz GPIOUOXBOFKITB-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@H]21 ZINC000227344071 165385734 /nfs/dbraw/zinc/38/57/34/165385734.db2.gz GPIOUOXBOFKITB-GOEBONIOSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)C1CC[NH2+]CC1 ZINC000261764361 165745953 /nfs/dbraw/zinc/74/59/53/165745953.db2.gz DEKULDSSNYQRGC-UHFFFAOYSA-N 2 2 308.853 3.313 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)C1CC[NH2+]CC1 ZINC000261764361 165745958 /nfs/dbraw/zinc/74/59/58/165745958.db2.gz DEKULDSSNYQRGC-UHFFFAOYSA-N 2 2 308.853 3.313 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1c1ccccc1 ZINC000261931903 165765740 /nfs/dbraw/zinc/76/57/40/165765740.db2.gz LPRPYNJLIBIICC-DLBZAZTESA-N 2 2 324.453 3.065 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1c1ccccc1 ZINC000261931903 165765743 /nfs/dbraw/zinc/76/57/43/165765743.db2.gz LPRPYNJLIBIICC-DLBZAZTESA-N 2 2 324.453 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000365629534 287156092 /nfs/dbraw/zinc/15/60/92/287156092.db2.gz MYXNUNSYAHWLQP-HNNXBMFYSA-N 2 2 301.459 3.392 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000365629534 287156094 /nfs/dbraw/zinc/15/60/94/287156094.db2.gz MYXNUNSYAHWLQP-HNNXBMFYSA-N 2 2 301.459 3.392 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248624591 287158622 /nfs/dbraw/zinc/15/86/22/287158622.db2.gz ORDZCJIRBUEFEC-IXDOHACOSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248624591 287158625 /nfs/dbraw/zinc/15/86/25/287158625.db2.gz ORDZCJIRBUEFEC-IXDOHACOSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248624591 287158627 /nfs/dbraw/zinc/15/86/27/287158627.db2.gz ORDZCJIRBUEFEC-IXDOHACOSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248624591 287158629 /nfs/dbraw/zinc/15/86/29/287158629.db2.gz ORDZCJIRBUEFEC-IXDOHACOSA-N 2 2 302.466 3.124 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000365870090 287182635 /nfs/dbraw/zinc/18/26/35/287182635.db2.gz GGNUSWOETVPNJD-NJAFHUGGSA-N 2 2 313.445 3.435 20 0 DGADLP C([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCSC1 ZINC000365951970 287191600 /nfs/dbraw/zinc/19/16/00/287191600.db2.gz AOOQZJSXWJKVSU-HNNXBMFYSA-N 2 2 314.564 3.081 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000136501177 432155900 /nfs/dbraw/zinc/15/59/00/432155900.db2.gz LMXJOWCOFLUSDN-IUODEOHRSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000136501177 432155905 /nfs/dbraw/zinc/15/59/05/432155905.db2.gz LMXJOWCOFLUSDN-IUODEOHRSA-N 2 2 323.278 3.206 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000171940733 432186549 /nfs/dbraw/zinc/18/65/49/432186549.db2.gz XWOONRUNDQQEIL-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000171940733 432186552 /nfs/dbraw/zinc/18/65/52/432186552.db2.gz XWOONRUNDQQEIL-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP Brc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150780646 432191753 /nfs/dbraw/zinc/19/17/53/432191753.db2.gz BLHUTLBDKHMXJT-AWEZNQCLSA-N 2 2 323.278 3.367 20 0 DGADLP Brc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150780646 432191755 /nfs/dbraw/zinc/19/17/55/432191755.db2.gz BLHUTLBDKHMXJT-AWEZNQCLSA-N 2 2 323.278 3.367 20 0 DGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC(C)(C)C[NH+](C)C)c1C ZINC000172068283 432194926 /nfs/dbraw/zinc/19/49/26/432194926.db2.gz AICHHUFFEHTIDB-UHFFFAOYSA-N 2 2 313.449 3.155 20 0 DGADLP CCC(CC)n1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269678153 432198003 /nfs/dbraw/zinc/19/80/03/432198003.db2.gz YZTCDFHRIWMCFA-AWEZNQCLSA-N 2 2 301.438 3.347 20 0 DGADLP CCC(CC)n1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269678153 432198007 /nfs/dbraw/zinc/19/80/07/432198007.db2.gz YZTCDFHRIWMCFA-AWEZNQCLSA-N 2 2 301.438 3.347 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000130562431 196091574 /nfs/dbraw/zinc/09/15/74/196091574.db2.gz JDYTVFYXDJJNQJ-ZDUSSCGKSA-N 2 2 313.376 3.375 20 0 DGADLP Brc1cccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000130709002 196103282 /nfs/dbraw/zinc/10/32/82/196103282.db2.gz VCUAYLJCSKZMOD-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1cccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000130709002 196103285 /nfs/dbraw/zinc/10/32/85/196103285.db2.gz VCUAYLJCSKZMOD-HNNXBMFYSA-N 2 2 320.234 3.483 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271630343 209075856 /nfs/dbraw/zinc/07/58/56/209075856.db2.gz GPRMKLGJXZRQNF-MRXNPFEDSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271630343 209075860 /nfs/dbraw/zinc/07/58/60/209075860.db2.gz GPRMKLGJXZRQNF-MRXNPFEDSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271630343 209075865 /nfs/dbraw/zinc/07/58/65/209075865.db2.gz GPRMKLGJXZRQNF-MRXNPFEDSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271630343 209075869 /nfs/dbraw/zinc/07/58/69/209075869.db2.gz GPRMKLGJXZRQNF-MRXNPFEDSA-N 2 2 323.444 3.256 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000130824208 196113444 /nfs/dbraw/zinc/11/34/44/196113444.db2.gz RECVYVULFZESBV-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000130824208 196113446 /nfs/dbraw/zinc/11/34/46/196113446.db2.gz RECVYVULFZESBV-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP c1cn(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c[nH+]1 ZINC000131082576 196138188 /nfs/dbraw/zinc/13/81/88/196138188.db2.gz WVXODLXTMOKTGK-INIZCTEOSA-N 2 2 323.400 3.160 20 0 DGADLP c1cn(CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c[nH+]1 ZINC000131082576 196138190 /nfs/dbraw/zinc/13/81/90/196138190.db2.gz WVXODLXTMOKTGK-INIZCTEOSA-N 2 2 323.400 3.160 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182780063 432226747 /nfs/dbraw/zinc/22/67/47/432226747.db2.gz WXBXJDCIOBNGSY-UHFFFAOYSA-N 3 2 306.498 3.107 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000182667304 432216232 /nfs/dbraw/zinc/21/62/32/432216232.db2.gz OZYNUJSKGKZAHV-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000182667304 432216236 /nfs/dbraw/zinc/21/62/36/432216236.db2.gz OZYNUJSKGKZAHV-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000247268978 432217346 /nfs/dbraw/zinc/21/73/46/432217346.db2.gz ZUGDJJLZRIVDJA-LZQZEXGQSA-N 2 2 312.461 3.124 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000247268978 432217348 /nfs/dbraw/zinc/21/73/48/432217348.db2.gz ZUGDJJLZRIVDJA-LZQZEXGQSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713431 432221291 /nfs/dbraw/zinc/22/12/91/432221291.db2.gz VYUWFFDQIVCCTG-YOEHRIQHSA-N 2 2 315.392 3.178 20 0 DGADLP C[C@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713431 432221296 /nfs/dbraw/zinc/22/12/96/432221296.db2.gz VYUWFFDQIVCCTG-YOEHRIQHSA-N 2 2 315.392 3.178 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151132580 432221540 /nfs/dbraw/zinc/22/15/40/432221540.db2.gz BTDZAJURDSVHIM-HNNXBMFYSA-N 3 2 309.417 3.118 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000151150435 432223680 /nfs/dbraw/zinc/22/36/80/432223680.db2.gz MOJHVFFKZQRSHI-LBPRGKRZSA-N 2 2 323.824 3.295 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Br ZINC000131705360 196192390 /nfs/dbraw/zinc/19/23/90/196192390.db2.gz YQHHJEYHDPDHQG-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Br ZINC000131705360 196192392 /nfs/dbraw/zinc/19/23/92/196192392.db2.gz YQHHJEYHDPDHQG-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H](CC[NH2+]Cc1c(Cl)cnn1C)[N@H+](C)Cc1ccccc1 ZINC000131939719 196211765 /nfs/dbraw/zinc/21/17/65/196211765.db2.gz UJHDEYKFFAHRPN-CQSZACIVSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@H](CC[NH2+]Cc1c(Cl)cnn1C)[N@@H+](C)Cc1ccccc1 ZINC000131939719 196211766 /nfs/dbraw/zinc/21/17/66/196211766.db2.gz UJHDEYKFFAHRPN-CQSZACIVSA-N 2 2 320.868 3.074 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1OC ZINC000132016229 196218550 /nfs/dbraw/zinc/21/85/50/196218550.db2.gz GVPRCHGXAGDEGT-INIZCTEOSA-N 2 2 320.477 3.100 20 0 DGADLP CCCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000132046751 196222592 /nfs/dbraw/zinc/22/25/92/196222592.db2.gz RUJCCLFHJZJJIU-HKUYNNGSSA-N 2 2 319.493 3.088 20 0 DGADLP CCCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000132046751 196222594 /nfs/dbraw/zinc/22/25/94/196222594.db2.gz RUJCCLFHJZJJIU-HKUYNNGSSA-N 2 2 319.493 3.088 20 0 DGADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H]1C ZINC000132057415 196222733 /nfs/dbraw/zinc/22/27/33/196222733.db2.gz XUAWAUDQTVOVEP-MDZRGWNJSA-N 2 2 301.478 3.460 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000132126556 196228289 /nfs/dbraw/zinc/22/82/89/196228289.db2.gz IJSWGWTWTXTRAU-MRXNPFEDSA-N 2 2 323.444 3.041 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000132805413 196284881 /nfs/dbraw/zinc/28/48/81/196284881.db2.gz LNDLUEWZSNHDLF-LPHOPBHVSA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000132805413 196284883 /nfs/dbraw/zinc/28/48/83/196284883.db2.gz LNDLUEWZSNHDLF-LPHOPBHVSA-N 2 2 312.461 3.218 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000132853559 196290730 /nfs/dbraw/zinc/29/07/30/196290730.db2.gz BUUFJPOURXJDST-UONOGXRCSA-N 2 2 324.415 3.116 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)c2cnn(CC)c2)[NH+](C)C)cc1 ZINC000133800693 196336251 /nfs/dbraw/zinc/33/62/51/196336251.db2.gz YMIJSFHVVZWSPL-BEFAXECRSA-N 2 2 314.477 3.419 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245580140 287275183 /nfs/dbraw/zinc/27/51/83/287275183.db2.gz CDWCYHBDXNNSRA-QYZOEREBSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245580140 287275185 /nfs/dbraw/zinc/27/51/85/287275185.db2.gz CDWCYHBDXNNSRA-QYZOEREBSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245580140 287275186 /nfs/dbraw/zinc/27/51/86/287275186.db2.gz CDWCYHBDXNNSRA-QYZOEREBSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245580140 287275188 /nfs/dbraw/zinc/27/51/88/287275188.db2.gz CDWCYHBDXNNSRA-QYZOEREBSA-N 3 2 307.526 3.057 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000154708467 227102413 /nfs/dbraw/zinc/10/24/13/227102413.db2.gz SBPSTSKYGDJHRP-INIZCTEOSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000154708467 227102420 /nfs/dbraw/zinc/10/24/20/227102420.db2.gz SBPSTSKYGDJHRP-INIZCTEOSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000290288790 221549492 /nfs/dbraw/zinc/54/94/92/221549492.db2.gz GUKCUYVUQDSIFZ-KSSFIOAISA-N 2 2 302.393 3.173 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290898488 222002548 /nfs/dbraw/zinc/00/25/48/222002548.db2.gz NSHDLTAOLQWXSQ-RYUDHWBXSA-N 2 2 302.249 3.351 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)c1C ZINC000291270183 222274245 /nfs/dbraw/zinc/27/42/45/222274245.db2.gz TUTGYVXFPNQHAD-UHFFFAOYSA-N 2 2 324.428 3.056 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173961042 228286404 /nfs/dbraw/zinc/28/64/04/228286404.db2.gz UTZWXGSDGVBBBI-IRXDYDNUSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173961042 228286405 /nfs/dbraw/zinc/28/64/05/228286405.db2.gz UTZWXGSDGVBBBI-IRXDYDNUSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173961042 228286408 /nfs/dbraw/zinc/28/64/08/228286408.db2.gz UTZWXGSDGVBBBI-IRXDYDNUSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173961042 228286411 /nfs/dbraw/zinc/28/64/11/228286411.db2.gz UTZWXGSDGVBBBI-IRXDYDNUSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Br ZINC000298130638 228371907 /nfs/dbraw/zinc/37/19/07/228371907.db2.gz PZMUUSOPZAHIHK-UHFFFAOYSA-N 2 2 323.278 3.474 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@H+](Cc2ccccc2)C1 ZINC000344684456 229141814 /nfs/dbraw/zinc/14/18/14/229141814.db2.gz YBVJFDNGFSLEGS-PKOBYXMFSA-N 2 2 318.505 3.285 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@@H+](Cc2ccccc2)C1 ZINC000344684456 229141817 /nfs/dbraw/zinc/14/18/17/229141817.db2.gz YBVJFDNGFSLEGS-PKOBYXMFSA-N 2 2 318.505 3.285 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000131155559 292648272 /nfs/dbraw/zinc/64/82/72/292648272.db2.gz UCXJIIGXBXYBOX-UHFFFAOYSA-N 3 2 321.553 3.494 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000346229261 263990316 /nfs/dbraw/zinc/99/03/16/263990316.db2.gz LTOCIMYHPJAEIG-LPHOPBHVSA-N 2 2 311.429 3.264 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@@H+]1C ZINC000346315736 264007885 /nfs/dbraw/zinc/00/78/85/264007885.db2.gz AAOGIZFXPFRIIW-GUYCJALGSA-N 2 2 323.431 3.006 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@H+]1C ZINC000346315736 264007888 /nfs/dbraw/zinc/00/78/88/264007888.db2.gz AAOGIZFXPFRIIW-GUYCJALGSA-N 2 2 323.431 3.006 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CCC2)cc1 ZINC000346371436 264019672 /nfs/dbraw/zinc/01/96/72/264019672.db2.gz UHYGTBFHOUNVFB-DNVCBOLYSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)CCC2)cc1 ZINC000346371436 264019673 /nfs/dbraw/zinc/01/96/73/264019673.db2.gz UHYGTBFHOUNVFB-DNVCBOLYSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccco2)cc1 ZINC000346476024 264039035 /nfs/dbraw/zinc/03/90/35/264039035.db2.gz CXCGZNJLDCROOV-SFHVURJKSA-N 2 2 300.402 3.061 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346496869 264042222 /nfs/dbraw/zinc/04/22/22/264042222.db2.gz RVDJNIYURAFYAS-GOSISDBHSA-N 2 2 315.436 3.488 20 0 DGADLP COC[C@@H]([NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582105 264058934 /nfs/dbraw/zinc/05/89/34/264058934.db2.gz VXRGJDMCZVYSDH-RTBURBONSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@@H]([NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C1CC1 ZINC000346582105 264058936 /nfs/dbraw/zinc/05/89/36/264058936.db2.gz VXRGJDMCZVYSDH-RTBURBONSA-N 2 2 304.478 3.158 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](CN(C)Cc2ccccc2)C(C)C)CC1 ZINC000346600437 264062731 /nfs/dbraw/zinc/06/27/31/264062731.db2.gz SDOUMRIPUPPTNG-HXUWFJFHSA-N 2 2 317.521 3.217 20 0 DGADLP [NH3+]C1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000346659590 264074845 /nfs/dbraw/zinc/07/48/45/264074845.db2.gz UVLKVWQODHFCDP-UHFFFAOYSA-N 2 2 306.356 3.364 20 0 DGADLP Cc1cc(N2CCC(CCC[NH+](C)C)CC2)nc(C2CC2)[nH+]1 ZINC000346697748 264082283 /nfs/dbraw/zinc/08/22/83/264082283.db2.gz GPEPORKWTBJJCV-UHFFFAOYSA-N 2 2 302.466 3.221 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000346774642 264094363 /nfs/dbraw/zinc/09/43/63/264094363.db2.gz FUTLQBASISUIJO-YQQAZPJKSA-N 2 2 320.477 3.473 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000346774642 264094364 /nfs/dbraw/zinc/09/43/64/264094364.db2.gz FUTLQBASISUIJO-YQQAZPJKSA-N 2 2 320.477 3.473 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000346797555 264099631 /nfs/dbraw/zinc/09/96/31/264099631.db2.gz OETJNSUSRYSTHU-KHYOSLBOSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000346797555 264099633 /nfs/dbraw/zinc/09/96/33/264099633.db2.gz OETJNSUSRYSTHU-KHYOSLBOSA-N 3 2 312.461 3.314 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802515 264099936 /nfs/dbraw/zinc/09/99/36/264099936.db2.gz TYDJFNCOBGLNAQ-KBMXLJTQSA-N 2 2 306.450 3.227 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802515 264099938 /nfs/dbraw/zinc/09/99/38/264099938.db2.gz TYDJFNCOBGLNAQ-KBMXLJTQSA-N 2 2 306.450 3.227 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000346858747 264110175 /nfs/dbraw/zinc/11/01/75/264110175.db2.gz RUTRSFSYGWWGKE-CVEARBPZSA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000346858747 264110178 /nfs/dbraw/zinc/11/01/78/264110178.db2.gz RUTRSFSYGWWGKE-CVEARBPZSA-N 2 2 316.470 3.353 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@H]1C[NH3+] ZINC000347003971 264137694 /nfs/dbraw/zinc/13/76/94/264137694.db2.gz AHYMOCVNBFHHRM-GUYCJALGSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)[C@H]1C[NH3+] ZINC000347003971 264137696 /nfs/dbraw/zinc/13/76/96/264137696.db2.gz AHYMOCVNBFHHRM-GUYCJALGSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003413 264138305 /nfs/dbraw/zinc/13/83/05/264138305.db2.gz LFIPASVVHJSIKD-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003413 264138307 /nfs/dbraw/zinc/13/83/07/264138307.db2.gz LFIPASVVHJSIKD-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@@H]1C[NH3+] ZINC000347004514 264138395 /nfs/dbraw/zinc/13/83/95/264138395.db2.gz AAGNVRZBGHKTSX-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@@H]1C[NH3+] ZINC000347004514 264138396 /nfs/dbraw/zinc/13/83/96/264138396.db2.gz AAGNVRZBGHKTSX-MLGOLLRUSA-N 2 2 303.837 3.447 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCC(C)C ZINC000347020799 264142040 /nfs/dbraw/zinc/14/20/40/264142040.db2.gz MWYOTPQRWALCAQ-MRXNPFEDSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCC(C)C ZINC000347020799 264142043 /nfs/dbraw/zinc/14/20/43/264142043.db2.gz MWYOTPQRWALCAQ-MRXNPFEDSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H]1C[NH3+] ZINC000347037021 264144522 /nfs/dbraw/zinc/14/45/22/264144522.db2.gz FPAGAXXWEGROQX-AUUYWEPGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H]1C[NH3+] ZINC000347037021 264144524 /nfs/dbraw/zinc/14/45/24/264144524.db2.gz FPAGAXXWEGROQX-AUUYWEPGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1C[NH3+] ZINC000347037023 264144790 /nfs/dbraw/zinc/14/47/90/264144790.db2.gz FPAGAXXWEGROQX-KUHUBIRLSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1C[NH3+] ZINC000347037023 264144792 /nfs/dbraw/zinc/14/47/92/264144792.db2.gz FPAGAXXWEGROQX-KUHUBIRLSA-N 2 2 313.420 3.447 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000347041465 264145915 /nfs/dbraw/zinc/14/59/15/264145915.db2.gz KWTOGNZUIMFWQR-UHFFFAOYSA-N 2 2 301.459 3.302 20 0 DGADLP c1cnc2ccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000347095570 264155525 /nfs/dbraw/zinc/15/55/25/264155525.db2.gz RSYXEYNXRVSKKX-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP c1cnc2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000347095570 264155526 /nfs/dbraw/zinc/15/55/26/264155526.db2.gz RSYXEYNXRVSKKX-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347099088 264156324 /nfs/dbraw/zinc/15/63/24/264156324.db2.gz KHROOQRQTCEQEZ-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347099088 264156326 /nfs/dbraw/zinc/15/63/26/264156326.db2.gz KHROOQRQTCEQEZ-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP FC(F)COc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000347105225 264157609 /nfs/dbraw/zinc/15/76/09/264157609.db2.gz MVDRLAQASIWFEB-UHFFFAOYSA-N 2 2 324.415 3.295 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347116558 264160144 /nfs/dbraw/zinc/16/01/44/264160144.db2.gz VRJJZOKHIBGJSN-SNVBAGLBSA-N 2 2 303.233 3.173 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347116558 264160147 /nfs/dbraw/zinc/16/01/47/264160147.db2.gz VRJJZOKHIBGJSN-SNVBAGLBSA-N 2 2 303.233 3.173 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000347147887 264165694 /nfs/dbraw/zinc/16/56/94/264165694.db2.gz ZBDAAFWKGQOHJD-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000347147887 264165698 /nfs/dbraw/zinc/16/56/98/264165698.db2.gz ZBDAAFWKGQOHJD-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccccc2)C2CC2)s1 ZINC000347632379 264255865 /nfs/dbraw/zinc/25/58/65/264255865.db2.gz BMRKWHNTXIOLCZ-UHFFFAOYSA-N 2 2 301.459 3.369 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccccc2)C2CC2)s1 ZINC000347632379 264255866 /nfs/dbraw/zinc/25/58/66/264255866.db2.gz BMRKWHNTXIOLCZ-UHFFFAOYSA-N 2 2 301.459 3.369 20 0 DGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccccc2F)cc[nH+]1 ZINC000347700583 264269577 /nfs/dbraw/zinc/26/95/77/264269577.db2.gz BQWQSHOZLNVBFV-UHFFFAOYSA-N 2 2 316.424 3.307 20 0 DGADLP CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910597 264304127 /nfs/dbraw/zinc/30/41/27/264304127.db2.gz AUQGSNOPSAVCQY-QWHCGFSZSA-N 2 2 313.536 3.311 20 0 DGADLP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910597 264304129 /nfs/dbraw/zinc/30/41/29/264304129.db2.gz AUQGSNOPSAVCQY-QWHCGFSZSA-N 2 2 313.536 3.311 20 0 DGADLP CO[C@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000348042287 264327529 /nfs/dbraw/zinc/32/75/29/264327529.db2.gz MVQLZHTUUZOBRY-GOSISDBHSA-N 2 2 302.393 3.439 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047549 264328574 /nfs/dbraw/zinc/32/85/74/264328574.db2.gz SWBSRQBFYUWVAZ-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047549 264328576 /nfs/dbraw/zinc/32/85/76/264328576.db2.gz SWBSRQBFYUWVAZ-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047549 264328577 /nfs/dbraw/zinc/32/85/77/264328577.db2.gz SWBSRQBFYUWVAZ-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047549 264328578 /nfs/dbraw/zinc/32/85/78/264328578.db2.gz SWBSRQBFYUWVAZ-AZUAARDMSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348169900 264356649 /nfs/dbraw/zinc/35/66/49/264356649.db2.gz CSYKQIVVZYOLPW-UHFFFAOYSA-N 2 2 323.444 3.307 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000348184078 264359300 /nfs/dbraw/zinc/35/93/00/264359300.db2.gz FMCGYOSIBXYKAS-PBHICJAKSA-N 3 2 321.428 3.043 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000349496658 264525386 /nfs/dbraw/zinc/52/53/86/264525386.db2.gz LFWMTWBRTQMZKQ-KBXCAEBGSA-N 2 2 322.880 3.418 20 0 DGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591345 264745029 /nfs/dbraw/zinc/74/50/29/264745029.db2.gz DDHBUOJWWAYZHV-LPHOPBHVSA-N 2 2 320.452 3.102 20 0 DGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591345 264745032 /nfs/dbraw/zinc/74/50/32/264745032.db2.gz DDHBUOJWWAYZHV-LPHOPBHVSA-N 2 2 320.452 3.102 20 0 DGADLP Cc1ncsc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352364378 265017656 /nfs/dbraw/zinc/01/76/56/265017656.db2.gz CJDXNNBBSLCAII-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CCC[C@H]3C[NH+]3CCCCC3)n21 ZINC000352384159 265025411 /nfs/dbraw/zinc/02/54/11/265025411.db2.gz RUGIMLADVNNDAY-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(Cc2ccccc2)n1 ZINC000352518103 265077130 /nfs/dbraw/zinc/07/71/30/265077130.db2.gz GVPVEOWAWLHPCT-QGZVFWFLSA-N 2 2 315.486 3.437 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(Cc2ccccc2)n1 ZINC000352518103 265077131 /nfs/dbraw/zinc/07/71/31/265077131.db2.gz GVPVEOWAWLHPCT-QGZVFWFLSA-N 2 2 315.486 3.437 20 0 DGADLP C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000352555467 265086817 /nfs/dbraw/zinc/08/68/17/265086817.db2.gz NJEINVMQLMHUID-VNCLNFNDSA-N 2 2 316.489 3.369 20 0 DGADLP C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000352555467 265086820 /nfs/dbraw/zinc/08/68/20/265086820.db2.gz NJEINVMQLMHUID-VNCLNFNDSA-N 2 2 316.489 3.369 20 0 DGADLP CCOc1cccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352766813 265157596 /nfs/dbraw/zinc/15/75/96/265157596.db2.gz AQJOGYPRAPORAE-ZDUSSCGKSA-N 2 2 319.474 3.454 20 0 DGADLP Cc1cccc(OC[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352810454 265177294 /nfs/dbraw/zinc/17/72/94/265177294.db2.gz CDSCKKSXWIBLPH-CQSZACIVSA-N 2 2 319.474 3.070 20 0 DGADLP CCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000352818590 265181648 /nfs/dbraw/zinc/18/16/48/265181648.db2.gz NUEQXNWYLRZGKO-UHFFFAOYSA-N 2 2 310.376 3.259 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000352840829 265193009 /nfs/dbraw/zinc/19/30/09/265193009.db2.gz OMLUDVBMZSBHRR-UHFFFAOYSA-N 2 2 304.356 3.231 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000352840829 265193014 /nfs/dbraw/zinc/19/30/14/265193014.db2.gz OMLUDVBMZSBHRR-UHFFFAOYSA-N 2 2 304.356 3.231 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851545 265198027 /nfs/dbraw/zinc/19/80/27/265198027.db2.gz ZNQWWPXAZQNICP-RNCFNFMXSA-N 2 2 304.381 3.339 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851545 265198029 /nfs/dbraw/zinc/19/80/29/265198029.db2.gz ZNQWWPXAZQNICP-RNCFNFMXSA-N 2 2 304.381 3.339 20 0 DGADLP FC(F)(F)c1cccnc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352852741 265199043 /nfs/dbraw/zinc/19/90/43/265199043.db2.gz IAHWJVZQPCPTRE-UHFFFAOYSA-N 2 2 310.323 3.203 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000352962559 265247389 /nfs/dbraw/zinc/24/73/89/265247389.db2.gz CXUPMALHFOMCPJ-JLZZUVOBSA-N 2 2 304.409 3.112 20 0 DGADLP CCC[N@H+](CC)C[C@@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353063421 265283655 /nfs/dbraw/zinc/28/36/55/265283655.db2.gz UIEPSWOBAMKPKA-CYBMUJFWSA-N 2 2 308.857 3.198 20 0 DGADLP CCC[N@@H+](CC)C[C@@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353063421 265283660 /nfs/dbraw/zinc/28/36/60/265283660.db2.gz UIEPSWOBAMKPKA-CYBMUJFWSA-N 2 2 308.857 3.198 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353074152 265287416 /nfs/dbraw/zinc/28/74/16/265287416.db2.gz SLZQOMQWHBVXPF-INIZCTEOSA-N 2 2 314.477 3.391 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353074152 265287420 /nfs/dbraw/zinc/28/74/20/265287420.db2.gz SLZQOMQWHBVXPF-INIZCTEOSA-N 2 2 314.477 3.391 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236736 265357773 /nfs/dbraw/zinc/35/77/73/265357773.db2.gz RJEQXYWHJTVZSR-GOEBONIOSA-N 2 2 318.452 3.147 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353236736 265357776 /nfs/dbraw/zinc/35/77/76/265357776.db2.gz RJEQXYWHJTVZSR-GOEBONIOSA-N 2 2 318.452 3.147 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)CCC2 ZINC000353315493 265385705 /nfs/dbraw/zinc/38/57/05/265385705.db2.gz CVUIIAONZMLEFD-XWTMOSNGSA-N 2 2 317.477 3.254 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353321318 265388641 /nfs/dbraw/zinc/38/86/41/265388641.db2.gz IDCYMEJEINERMF-KGLIPLIRSA-N 2 2 300.402 3.158 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353321318 265388644 /nfs/dbraw/zinc/38/86/44/265388644.db2.gz IDCYMEJEINERMF-KGLIPLIRSA-N 2 2 300.402 3.158 20 0 DGADLP CC(C)[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000353334522 265393218 /nfs/dbraw/zinc/39/32/18/265393218.db2.gz HSWRQSGHVRLZLA-SFHVURJKSA-N 2 2 312.392 3.398 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC000355237823 266010916 /nfs/dbraw/zinc/01/09/16/266010916.db2.gz JEWRFDVRMZENLS-OAHLLOKOSA-N 2 2 315.461 3.397 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000355371721 266055342 /nfs/dbraw/zinc/05/53/42/266055342.db2.gz OMHKUEVCCZMBLL-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000355371721 266055343 /nfs/dbraw/zinc/05/53/43/266055343.db2.gz OMHKUEVCCZMBLL-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000355478998 266088040 /nfs/dbraw/zinc/08/80/40/266088040.db2.gz YTCXLLMQCXBWFN-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000355478998 266088041 /nfs/dbraw/zinc/08/80/41/266088041.db2.gz YTCXLLMQCXBWFN-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP CC[N@H+](C)[C@@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000355478838 266088116 /nfs/dbraw/zinc/08/81/16/266088116.db2.gz XMYWTCXLZVJHAP-QGZVFWFLSA-N 2 2 322.412 3.274 20 0 DGADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000355478838 266088118 /nfs/dbraw/zinc/08/81/18/266088118.db2.gz XMYWTCXLZVJHAP-QGZVFWFLSA-N 2 2 322.412 3.274 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C3CC([NH+]4CCCCC4)C3)sc2C1 ZINC000355588443 266123799 /nfs/dbraw/zinc/12/37/99/266123799.db2.gz WHPVAXBGUJJDAU-WLYUNCDWSA-N 2 2 319.518 3.374 20 0 DGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1[C@H]1CCCO1 ZINC000356243140 266330585 /nfs/dbraw/zinc/33/05/85/266330585.db2.gz GQJSJMKREFQDRN-CVEARBPZSA-N 2 2 317.458 3.323 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cncc(F)c1 ZINC000151348290 432239346 /nfs/dbraw/zinc/23/93/46/432239346.db2.gz AAMIVOOHUOZUDJ-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191287461 432246027 /nfs/dbraw/zinc/24/60/27/432246027.db2.gz JIQLDPXDEULEFW-QWRGUYRKSA-N 2 2 301.228 3.005 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191301402 432247075 /nfs/dbraw/zinc/24/70/75/432247075.db2.gz ADBYQPNAVQRXEC-UHFFFAOYSA-N 2 2 302.462 3.438 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000367618432 271052279 /nfs/dbraw/zinc/05/22/79/271052279.db2.gz SGWINCQRFQGPDO-GVDBMIGSSA-N 2 2 304.482 3.494 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000368029502 271117637 /nfs/dbraw/zinc/11/76/37/271117637.db2.gz JMRRYOQEYNQXHB-LPHOPBHVSA-N 2 2 323.440 3.106 20 0 DGADLP OC1(c2ccccc2)CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000368698449 271195642 /nfs/dbraw/zinc/19/56/42/271195642.db2.gz NLONWDGAUHMNEP-UHFFFAOYSA-N 2 2 321.424 3.254 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000370004503 271334332 /nfs/dbraw/zinc/33/43/32/271334332.db2.gz DGKSMCYTYGRRPR-HOTGVXAUSA-N 2 2 305.466 3.010 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000247943337 432254376 /nfs/dbraw/zinc/25/43/76/432254376.db2.gz DEJOXYCBAZYJQV-YFHUEUNASA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000247943337 432254379 /nfs/dbraw/zinc/25/43/79/432254379.db2.gz DEJOXYCBAZYJQV-YFHUEUNASA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943337 432254381 /nfs/dbraw/zinc/25/43/81/432254381.db2.gz DEJOXYCBAZYJQV-YFHUEUNASA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943337 432254384 /nfs/dbraw/zinc/25/43/84/432254384.db2.gz DEJOXYCBAZYJQV-YFHUEUNASA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000247933208 432254840 /nfs/dbraw/zinc/25/48/40/432254840.db2.gz CFBWWXBNBSJCTC-PIKOESSRSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000247933208 432254845 /nfs/dbraw/zinc/25/48/45/432254845.db2.gz CFBWWXBNBSJCTC-PIKOESSRSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933208 432254847 /nfs/dbraw/zinc/25/48/47/432254847.db2.gz CFBWWXBNBSJCTC-PIKOESSRSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933208 432254850 /nfs/dbraw/zinc/25/48/50/432254850.db2.gz CFBWWXBNBSJCTC-PIKOESSRSA-N 3 2 315.505 3.112 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423567845 273474583 /nfs/dbraw/zinc/47/45/83/273474583.db2.gz VBPCVEPGDMRCJL-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H](C)O)CC1 ZINC000450642225 273775309 /nfs/dbraw/zinc/77/53/09/273775309.db2.gz HUXPXHRESHNJAQ-AWEZNQCLSA-N 2 2 301.434 3.007 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000423387190 273971441 /nfs/dbraw/zinc/97/14/41/273971441.db2.gz JRVOZGYXTUBOFX-NHYWBVRUSA-N 2 2 311.267 3.414 20 0 DGADLP COC1(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339443739 274013892 /nfs/dbraw/zinc/01/38/92/274013892.db2.gz DGFPJDLRMBFOBV-FUHWJXTLSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339443739 274013893 /nfs/dbraw/zinc/01/38/93/274013893.db2.gz DGFPJDLRMBFOBV-FUHWJXTLSA-N 2 2 302.462 3.371 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000276167598 274139056 /nfs/dbraw/zinc/13/90/56/274139056.db2.gz RXUHILHDFPAMGG-IXDOHACOSA-N 2 2 318.486 3.449 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000276167598 274139058 /nfs/dbraw/zinc/13/90/58/274139058.db2.gz RXUHILHDFPAMGG-IXDOHACOSA-N 2 2 318.486 3.449 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340448557 274255441 /nfs/dbraw/zinc/25/54/41/274255441.db2.gz IKIHLMBMPQABDJ-KGLIPLIRSA-N 2 2 308.385 3.385 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCCC2 ZINC000427881573 274259700 /nfs/dbraw/zinc/25/97/00/274259700.db2.gz ZSNPDGRFYRVDTN-TZMCWYRMSA-N 2 2 301.459 3.489 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721433 274278044 /nfs/dbraw/zinc/27/80/44/274278044.db2.gz JWMGWGWEILAAQI-RDJZCZTQSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721433 274278045 /nfs/dbraw/zinc/27/80/45/274278045.db2.gz JWMGWGWEILAAQI-RDJZCZTQSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000305741758 274301994 /nfs/dbraw/zinc/30/19/94/274301994.db2.gz SCUMXDPDPSRAIX-KBRIMQKVSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000305741758 274301995 /nfs/dbraw/zinc/30/19/95/274301995.db2.gz SCUMXDPDPSRAIX-KBRIMQKVSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583798 274335371 /nfs/dbraw/zinc/33/53/71/274335371.db2.gz UTFUIUANGDFGBW-MLGOLLRUSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583798 274335377 /nfs/dbraw/zinc/33/53/77/274335377.db2.gz UTFUIUANGDFGBW-MLGOLLRUSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583798 274335380 /nfs/dbraw/zinc/33/53/80/274335380.db2.gz UTFUIUANGDFGBW-MLGOLLRUSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583798 274335383 /nfs/dbraw/zinc/33/53/83/274335383.db2.gz UTFUIUANGDFGBW-MLGOLLRUSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc2O1 ZINC000292313795 274353620 /nfs/dbraw/zinc/35/36/20/274353620.db2.gz DXJIPVYVCGNEBB-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc2O1 ZINC000292313795 274353621 /nfs/dbraw/zinc/35/36/21/274353621.db2.gz DXJIPVYVCGNEBB-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3ccccc3OC1)CCC2 ZINC000493770976 274824598 /nfs/dbraw/zinc/82/45/98/274824598.db2.gz XKLZQDQTEIXPGC-IRXDYDNUSA-N 2 2 311.429 3.052 20 0 DGADLP c1cc2n(c1)CC[N@@H+](CCCn1cc[nH+]c1)[C@H]2c1ccccc1 ZINC000183187567 275065782 /nfs/dbraw/zinc/06/57/82/275065782.db2.gz RWJKTGBHPYNGOI-IBGZPJMESA-N 2 2 306.413 3.180 20 0 DGADLP c1cc2n(c1)CC[N@H+](CCCn1cc[nH+]c1)[C@H]2c1ccccc1 ZINC000183187567 275065784 /nfs/dbraw/zinc/06/57/84/275065784.db2.gz RWJKTGBHPYNGOI-IBGZPJMESA-N 2 2 306.413 3.180 20 0 DGADLP c1ccc(CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423516820 275066875 /nfs/dbraw/zinc/06/68/75/275066875.db2.gz GYXLKTHPALOJGG-NHCUHLMSSA-N 2 2 324.468 3.329 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000450252050 275071340 /nfs/dbraw/zinc/07/13/40/275071340.db2.gz FXTUURLSKNXQLB-QWHCGFSZSA-N 2 2 307.401 3.150 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000450252050 275071341 /nfs/dbraw/zinc/07/13/41/275071341.db2.gz FXTUURLSKNXQLB-QWHCGFSZSA-N 2 2 307.401 3.150 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000111241101 276004174 /nfs/dbraw/zinc/00/41/74/276004174.db2.gz HCHZGVWOHGZGDY-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000111241101 276004175 /nfs/dbraw/zinc/00/41/75/276004175.db2.gz HCHZGVWOHGZGDY-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cn1 ZINC000432420461 276022708 /nfs/dbraw/zinc/02/27/08/276022708.db2.gz BKMSZHKGVOAEIL-YJBOKZPZSA-N 2 2 323.456 3.008 20 0 DGADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cn1 ZINC000432420461 276022710 /nfs/dbraw/zinc/02/27/10/276022710.db2.gz BKMSZHKGVOAEIL-YJBOKZPZSA-N 2 2 323.456 3.008 20 0 DGADLP CC(C)n1cc[nH+]c1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000118997240 276086345 /nfs/dbraw/zinc/08/63/45/276086345.db2.gz YTISOVFUCVGUTF-UHFFFAOYSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1cc[nH+]c1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000118997240 276086346 /nfs/dbraw/zinc/08/63/46/276086346.db2.gz YTISOVFUCVGUTF-UHFFFAOYSA-N 2 2 314.477 3.464 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000423217976 276143411 /nfs/dbraw/zinc/14/34/11/276143411.db2.gz TVLJECBJZUDAMV-BXUZGUMPSA-N 2 2 309.251 3.123 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939955 276225157 /nfs/dbraw/zinc/22/51/57/276225157.db2.gz QWFBMHWDJANCJJ-ZBFHGGJFSA-N 2 2 306.498 3.022 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939955 276225160 /nfs/dbraw/zinc/22/51/60/276225160.db2.gz QWFBMHWDJANCJJ-ZBFHGGJFSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939955 276225162 /nfs/dbraw/zinc/22/51/62/276225162.db2.gz QWFBMHWDJANCJJ-ZBFHGGJFSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)C[C@H]1C ZINC000342939955 276225164 /nfs/dbraw/zinc/22/51/64/276225164.db2.gz QWFBMHWDJANCJJ-ZBFHGGJFSA-N 2 2 306.498 3.022 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423388161 276270613 /nfs/dbraw/zinc/27/06/13/276270613.db2.gz TZOLRZQTEJREIC-ZWNOBZJWSA-N 2 2 301.356 3.065 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C12CCC2 ZINC000344089681 276352188 /nfs/dbraw/zinc/35/21/88/276352188.db2.gz BCVDWSHJOQDGRA-HRCADAONSA-N 2 2 303.450 3.006 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439325 277086951 /nfs/dbraw/zinc/08/69/51/277086951.db2.gz UAQUDEDLVOFTBR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439325 277086952 /nfs/dbraw/zinc/08/69/52/277086952.db2.gz UAQUDEDLVOFTBR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439325 277086953 /nfs/dbraw/zinc/08/69/53/277086953.db2.gz UAQUDEDLVOFTBR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ncccc3C(F)(F)F)C2)C1 ZINC000339439325 277086954 /nfs/dbraw/zinc/08/69/54/277086954.db2.gz UAQUDEDLVOFTBR-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP CC(=O)c1ccccc1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173963037 277115823 /nfs/dbraw/zinc/11/58/23/277115823.db2.gz TXXSCMMZEDOXEH-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP CC(=O)c1ccccc1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173963037 277115825 /nfs/dbraw/zinc/11/58/25/277115825.db2.gz TXXSCMMZEDOXEH-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP CC(=O)c1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173963037 277115827 /nfs/dbraw/zinc/11/58/27/277115827.db2.gz TXXSCMMZEDOXEH-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP CC(=O)c1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173963037 277115828 /nfs/dbraw/zinc/11/58/28/277115828.db2.gz TXXSCMMZEDOXEH-QGZVFWFLSA-N 2 2 318.461 3.074 20 0 DGADLP Cc1nc(NCc2cccc(-n3cc[nH+]c3)c2)c2c([nH+]1)CCCC2 ZINC000543876820 430266539 /nfs/dbraw/zinc/26/65/39/430266539.db2.gz FTUDAQLEMWRFGI-UHFFFAOYSA-N 2 2 319.412 3.462 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422741402 277926759 /nfs/dbraw/zinc/92/67/59/277926759.db2.gz DKOKDTJMRVAKOP-VQTJNVASSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423111310 278226653 /nfs/dbraw/zinc/22/66/53/278226653.db2.gz ISHBJZWGTMKUQW-XYJFISCASA-N 3 2 303.494 3.003 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423111310 278226655 /nfs/dbraw/zinc/22/66/55/278226655.db2.gz ISHBJZWGTMKUQW-XYJFISCASA-N 3 2 303.494 3.003 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1nc2ccccc2n1C ZINC000423257838 278279360 /nfs/dbraw/zinc/27/93/60/278279360.db2.gz AHOKCORCDTUKHU-XJKSGUPXSA-N 2 2 300.450 3.132 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266005998 278310467 /nfs/dbraw/zinc/31/04/67/278310467.db2.gz KVCZNJXVCHJWFT-HUUCEWRRSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266005998 278310468 /nfs/dbraw/zinc/31/04/68/278310468.db2.gz KVCZNJXVCHJWFT-HUUCEWRRSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422749230 278311076 /nfs/dbraw/zinc/31/10/76/278311076.db2.gz YDPUXCYFHJYBNI-AHRSYUTCSA-N 3 2 315.505 3.462 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423064830 288044723 /nfs/dbraw/zinc/04/47/23/288044723.db2.gz SDKVWCMGYOWJKD-KKUMJFAQSA-N 2 2 300.368 3.453 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261588 288049499 /nfs/dbraw/zinc/04/94/99/288049499.db2.gz RYGXFRSHMBUKBZ-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1 ZINC000453261588 288049500 /nfs/dbraw/zinc/04/95/00/288049500.db2.gz RYGXFRSHMBUKBZ-SJORKVTESA-N 2 2 310.869 3.228 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+][C@H]2CCOC[C@@H]2C)c2ccccc2)CC1 ZINC000192495312 278550389 /nfs/dbraw/zinc/55/03/89/278550389.db2.gz COONDGKHDNGNBE-IHPCNDPISA-N 2 2 316.489 3.474 20 0 DGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1)C1CC1 ZINC000281198499 279207281 /nfs/dbraw/zinc/20/72/81/279207281.db2.gz JZRYYOYKMSXMRX-IRXDYDNUSA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1)C1CC1 ZINC000281198499 279207283 /nfs/dbraw/zinc/20/72/83/279207283.db2.gz JZRYYOYKMSXMRX-IRXDYDNUSA-N 2 2 301.478 3.490 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422867340 279349406 /nfs/dbraw/zinc/34/94/06/279349406.db2.gz RXZDDMNMQXCLMA-ZSXDVEMLSA-N 3 2 307.526 3.150 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867340 279349409 /nfs/dbraw/zinc/34/94/09/279349409.db2.gz RXZDDMNMQXCLMA-ZSXDVEMLSA-N 3 2 307.526 3.150 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000422935874 279369125 /nfs/dbraw/zinc/36/91/25/279369125.db2.gz AYFIJFLCNNHCCV-IIDMSEBBSA-N 2 2 302.462 3.156 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000177351824 279455458 /nfs/dbraw/zinc/45/54/58/279455458.db2.gz CEULWYPFDXWOKZ-GJZGRUSLSA-N 2 2 322.880 3.492 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000069710567 431215707 /nfs/dbraw/zinc/21/57/07/431215707.db2.gz DQNJVVAGYHJEGR-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1nc2ccccc2n1C ZINC000423257832 279500281 /nfs/dbraw/zinc/50/02/81/279500281.db2.gz AHOKCORCDTUKHU-BBRMVZONSA-N 2 2 300.450 3.132 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074737 431239757 /nfs/dbraw/zinc/23/97/57/431239757.db2.gz XOIFWVOGWKNNQA-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074737 431239761 /nfs/dbraw/zinc/23/97/61/431239761.db2.gz XOIFWVOGWKNNQA-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171722 431243732 /nfs/dbraw/zinc/24/37/32/431243732.db2.gz LYXQGQYNDMMSEJ-VXGBXAGGSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000070171722 431243737 /nfs/dbraw/zinc/24/37/37/431243737.db2.gz LYXQGQYNDMMSEJ-VXGBXAGGSA-N 2 2 302.340 3.144 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000113513391 431353137 /nfs/dbraw/zinc/35/31/37/431353137.db2.gz HZUICWBDJNPZQG-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000113513391 431353142 /nfs/dbraw/zinc/35/31/42/431353142.db2.gz HZUICWBDJNPZQG-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP COc1ccc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000114184031 431375557 /nfs/dbraw/zinc/37/55/57/431375557.db2.gz KARDFPUDRKZDPI-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP COc1ccc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000114184031 431375562 /nfs/dbraw/zinc/37/55/62/431375562.db2.gz KARDFPUDRKZDPI-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000114198625 431375860 /nfs/dbraw/zinc/37/58/60/431375860.db2.gz KGRMTVJNQQIFFE-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000114198625 431375865 /nfs/dbraw/zinc/37/58/65/431375865.db2.gz KGRMTVJNQQIFFE-KRWDZBQOSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478261 431392596 /nfs/dbraw/zinc/39/25/96/431392596.db2.gz UBQKCNROBVYWHK-QWHCGFSZSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478261 431392602 /nfs/dbraw/zinc/39/26/02/431392602.db2.gz UBQKCNROBVYWHK-QWHCGFSZSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000114721856 431407017 /nfs/dbraw/zinc/40/70/17/431407017.db2.gz XGNRFHPQMFHHCT-AWEZNQCLSA-N 2 2 323.400 3.331 20 0 DGADLP c1coc(-c2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cs2)c1 ZINC000114721867 431407748 /nfs/dbraw/zinc/40/77/48/431407748.db2.gz WDFPGOZIWSYJPZ-UHFFFAOYSA-N 2 2 314.414 3.437 20 0 DGADLP C[N@H+](CCOC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074321905 431412705 /nfs/dbraw/zinc/41/27/05/431412705.db2.gz NXSDTYWFOVNGIG-UHFFFAOYSA-N 2 2 304.478 3.398 20 0 DGADLP C[N@@H+](CCOC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074321905 431412715 /nfs/dbraw/zinc/41/27/15/431412715.db2.gz NXSDTYWFOVNGIG-UHFFFAOYSA-N 2 2 304.478 3.398 20 0 DGADLP CC[N@H+](CCOC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108885 431528467 /nfs/dbraw/zinc/52/84/67/431528467.db2.gz ZLYNDYOSGHAPMZ-UHFFFAOYSA-N 2 2 319.493 3.435 20 0 DGADLP CC[N@@H+](CCOC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108885 431528471 /nfs/dbraw/zinc/52/84/71/431528471.db2.gz ZLYNDYOSGHAPMZ-UHFFFAOYSA-N 2 2 319.493 3.435 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CS1 ZINC000488451782 280440420 /nfs/dbraw/zinc/44/04/20/280440420.db2.gz UAEXUDDRGIEBIF-ZWKOTPCHSA-N 2 2 318.530 3.205 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000119544401 431704969 /nfs/dbraw/zinc/70/49/69/431704969.db2.gz ZZXJUFBCYUKAET-UHFFFAOYSA-N 2 2 302.418 3.005 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000119544401 431704978 /nfs/dbraw/zinc/70/49/78/431704978.db2.gz ZZXJUFBCYUKAET-UHFFFAOYSA-N 2 2 302.418 3.005 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081571920 431796537 /nfs/dbraw/zinc/79/65/37/431796537.db2.gz GDRXESCLWNWIOX-OAHLLOKOSA-N 2 2 310.869 3.383 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081571920 431796543 /nfs/dbraw/zinc/79/65/43/431796543.db2.gz GDRXESCLWNWIOX-OAHLLOKOSA-N 2 2 310.869 3.383 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000081571920 431796550 /nfs/dbraw/zinc/79/65/50/431796550.db2.gz GDRXESCLWNWIOX-OAHLLOKOSA-N 2 2 310.869 3.383 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000081571920 431796557 /nfs/dbraw/zinc/79/65/57/431796557.db2.gz GDRXESCLWNWIOX-OAHLLOKOSA-N 2 2 310.869 3.383 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000301692508 280699324 /nfs/dbraw/zinc/69/93/24/280699324.db2.gz LCLFHKIERXIPPT-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037157239 431844628 /nfs/dbraw/zinc/84/46/28/431844628.db2.gz PRHYZIZSVYQPCZ-NWDGAFQWSA-N 2 2 308.223 3.385 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000037644970 431848506 /nfs/dbraw/zinc/84/85/06/431848506.db2.gz RRWYLXFNSWOGEM-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000037644970 431848508 /nfs/dbraw/zinc/84/85/08/431848508.db2.gz RRWYLXFNSWOGEM-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000122969818 431850263 /nfs/dbraw/zinc/85/02/63/431850263.db2.gz KPFASWSPVIIXOX-HNNXBMFYSA-N 2 2 314.477 3.488 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000122301229 431826213 /nfs/dbraw/zinc/82/62/13/431826213.db2.gz OHPFBOLOQLZJEV-YPMHNXCESA-N 2 2 302.340 3.144 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000122301229 431826216 /nfs/dbraw/zinc/82/62/16/431826216.db2.gz OHPFBOLOQLZJEV-YPMHNXCESA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)Cn1cc[nH+]c1 ZINC000092564310 431909358 /nfs/dbraw/zinc/90/93/58/431909358.db2.gz GICULUBGYCIWFW-QQFBHYJXSA-N 2 2 321.465 3.009 20 0 DGADLP CCCC[N@H+](C)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565494 431909865 /nfs/dbraw/zinc/90/98/65/431909865.db2.gz OFTOXMBZSDEMEI-UHFFFAOYSA-N 2 2 312.498 3.208 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565494 431909867 /nfs/dbraw/zinc/90/98/67/431909867.db2.gz OFTOXMBZSDEMEI-UHFFFAOYSA-N 2 2 312.498 3.208 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000125204159 431917751 /nfs/dbraw/zinc/91/77/51/431917751.db2.gz LDIVCDOBYDLWBN-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000125204159 431917753 /nfs/dbraw/zinc/91/77/53/431917753.db2.gz LDIVCDOBYDLWBN-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000125237905 431918797 /nfs/dbraw/zinc/91/87/97/431918797.db2.gz XFWBKHMYAMXINE-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000125237905 431918798 /nfs/dbraw/zinc/91/87/98/431918798.db2.gz XFWBKHMYAMXINE-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP COCc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)o1 ZINC000125233030 431918815 /nfs/dbraw/zinc/91/88/15/431918815.db2.gz UABONLLLAJZDTP-UHFFFAOYSA-N 2 2 302.418 3.038 20 0 DGADLP COCc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)o1 ZINC000125233030 431918818 /nfs/dbraw/zinc/91/88/18/431918818.db2.gz UABONLLLAJZDTP-UHFFFAOYSA-N 2 2 302.418 3.038 20 0 DGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125283348 431920437 /nfs/dbraw/zinc/92/04/37/431920437.db2.gz SVMXWARITSKPBD-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125283348 431920440 /nfs/dbraw/zinc/92/04/40/431920440.db2.gz SVMXWARITSKPBD-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)nc2ccccc12 ZINC000044530875 431875145 /nfs/dbraw/zinc/87/51/45/431875145.db2.gz SQUFAMYHCRMZCD-ZDUSSCGKSA-N 2 2 303.837 3.367 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)nc2ccccc12 ZINC000044530875 431875146 /nfs/dbraw/zinc/87/51/46/431875146.db2.gz SQUFAMYHCRMZCD-ZDUSSCGKSA-N 2 2 303.837 3.367 20 0 DGADLP COc1cccc2c(N3CC[C@H]([NH+]4CCCC4)C3)cc(C)[nH+]c12 ZINC000124231088 431886907 /nfs/dbraw/zinc/88/69/07/431886907.db2.gz YHANGUSAJBEYBC-HNNXBMFYSA-N 2 2 311.429 3.226 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124420846 431893426 /nfs/dbraw/zinc/89/34/26/431893426.db2.gz OFKBNLUTKOWYNU-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124420846 431893428 /nfs/dbraw/zinc/89/34/28/431893428.db2.gz OFKBNLUTKOWYNU-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000090720686 431895010 /nfs/dbraw/zinc/89/50/10/431895010.db2.gz XJKQGRLXTFULSF-NXEZZACHSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)CC[N@H+]1C ZINC000090720686 431895012 /nfs/dbraw/zinc/89/50/12/431895012.db2.gz XJKQGRLXTFULSF-NXEZZACHSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000090721563 431895363 /nfs/dbraw/zinc/89/53/63/431895363.db2.gz HQMKUKKSVBPVCI-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@H+]1C ZINC000090721563 431895365 /nfs/dbraw/zinc/89/53/65/431895365.db2.gz HQMKUKKSVBPVCI-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP c1cn(-c2ccc(CNc3ccc(N4CCCC4)[nH+]c3)cc2)c[nH+]1 ZINC000124569534 431898354 /nfs/dbraw/zinc/89/83/54/431898354.db2.gz DKXYQQXKCQMAHO-UHFFFAOYSA-N 2 2 319.412 3.480 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000125500557 431927678 /nfs/dbraw/zinc/92/76/78/431927678.db2.gz OQECYDQMBZIIOA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000125500557 431927679 /nfs/dbraw/zinc/92/76/79/431927679.db2.gz OQECYDQMBZIIOA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125551965 431928837 /nfs/dbraw/zinc/92/88/37/431928837.db2.gz URRNICFLPRLMMS-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125551965 431928839 /nfs/dbraw/zinc/92/88/39/431928839.db2.gz URRNICFLPRLMMS-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000127740515 431980142 /nfs/dbraw/zinc/98/01/42/431980142.db2.gz GIVGCTOBNKJDDG-RBUKOAKNSA-N 3 2 319.537 3.392 20 0 DGADLP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000127740515 431980143 /nfs/dbraw/zinc/98/01/43/431980143.db2.gz GIVGCTOBNKJDDG-RBUKOAKNSA-N 3 2 319.537 3.392 20 0 DGADLP Cc1ccsc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000097465592 431969852 /nfs/dbraw/zinc/96/98/52/431969852.db2.gz UMGXVFQRSNUUJL-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000127869994 431982954 /nfs/dbraw/zinc/98/29/54/431982954.db2.gz DMHAKWGYBQDRGL-LBPRGKRZSA-N 2 2 308.223 3.132 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000127843922 431982073 /nfs/dbraw/zinc/98/20/73/431982073.db2.gz PSUAWMRFRDVRJW-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000127843922 431982074 /nfs/dbraw/zinc/98/20/74/431982074.db2.gz PSUAWMRFRDVRJW-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424329879 281200879 /nfs/dbraw/zinc/20/08/79/281200879.db2.gz GZCMVNHHFOMSDD-USXIJHARSA-N 2 2 317.477 3.305 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424329877 281200911 /nfs/dbraw/zinc/20/09/11/281200911.db2.gz GZCMVNHHFOMSDD-DJIMGWMZSA-N 2 2 317.477 3.305 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000075644852 281251853 /nfs/dbraw/zinc/25/18/53/281251853.db2.gz YYYBBSGMYKZFNJ-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000075644852 281251854 /nfs/dbraw/zinc/25/18/54/281251854.db2.gz YYYBBSGMYKZFNJ-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000178325691 281354639 /nfs/dbraw/zinc/35/46/39/281354639.db2.gz FCYNLIZPXCNIHJ-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000178325691 281354641 /nfs/dbraw/zinc/35/46/41/281354641.db2.gz FCYNLIZPXCNIHJ-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cnccn1 ZINC000248197974 432275308 /nfs/dbraw/zinc/27/53/08/432275308.db2.gz XRYMSIWQSRXTOA-GRDNDAEWSA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cnccn1 ZINC000248197974 432275309 /nfs/dbraw/zinc/27/53/09/432275309.db2.gz XRYMSIWQSRXTOA-GRDNDAEWSA-N 2 2 316.474 3.272 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000183286598 432279154 /nfs/dbraw/zinc/27/91/54/432279154.db2.gz HKCJESDFXAGWBX-KRWDZBQOSA-N 2 2 315.465 3.135 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000183286598 432279161 /nfs/dbraw/zinc/27/91/61/432279161.db2.gz HKCJESDFXAGWBX-KRWDZBQOSA-N 2 2 315.465 3.135 20 0 DGADLP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248373679 432281292 /nfs/dbraw/zinc/28/12/92/432281292.db2.gz KOKUVSACCCZIBU-PKOBYXMFSA-N 2 2 319.493 3.087 20 0 DGADLP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248373679 432281295 /nfs/dbraw/zinc/28/12/95/432281295.db2.gz KOKUVSACCCZIBU-PKOBYXMFSA-N 2 2 319.493 3.087 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000191649005 432287040 /nfs/dbraw/zinc/28/70/40/432287040.db2.gz ZLBHPGNHXGSVFY-UONOGXRCSA-N 2 2 310.869 3.317 20 0 DGADLP O[C@H](C[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881648 432298837 /nfs/dbraw/zinc/29/88/37/432298837.db2.gz NNVVPQKWQPCZAO-RTBURBONSA-N 2 2 313.445 3.251 20 0 DGADLP O[C@H](C[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881648 432298839 /nfs/dbraw/zinc/29/88/39/432298839.db2.gz NNVVPQKWQPCZAO-RTBURBONSA-N 2 2 313.445 3.251 20 0 DGADLP CSCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248543343 432300660 /nfs/dbraw/zinc/30/06/60/432300660.db2.gz CZNDBHWTMNLHQT-FUHWJXTLSA-N 2 2 321.534 3.415 20 0 DGADLP CSCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248543343 432300661 /nfs/dbraw/zinc/30/06/61/432300661.db2.gz CZNDBHWTMNLHQT-FUHWJXTLSA-N 2 2 321.534 3.415 20 0 DGADLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)c1 ZINC000183168977 432264703 /nfs/dbraw/zinc/26/47/03/432264703.db2.gz XKPXZNHTKHJMDN-GOSISDBHSA-N 2 2 317.408 3.094 20 0 DGADLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)c1 ZINC000183168977 432264706 /nfs/dbraw/zinc/26/47/06/432264706.db2.gz XKPXZNHTKHJMDN-GOSISDBHSA-N 2 2 317.408 3.094 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000270617944 432265394 /nfs/dbraw/zinc/26/53/94/432265394.db2.gz JOIYFTSZBFLMMP-CZUORRHYSA-N 2 2 305.447 3.105 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000270617944 432265398 /nfs/dbraw/zinc/26/53/98/432265398.db2.gz JOIYFTSZBFLMMP-CZUORRHYSA-N 2 2 305.447 3.105 20 0 DGADLP C[C@@H]1SCC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000183179967 432266251 /nfs/dbraw/zinc/26/62/51/432266251.db2.gz NWURCLGBYLRESZ-RDJZCZTQSA-N 2 2 301.459 3.452 20 0 DGADLP C[C@@H]1SCC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000183179967 432266252 /nfs/dbraw/zinc/26/62/52/432266252.db2.gz NWURCLGBYLRESZ-RDJZCZTQSA-N 2 2 301.459 3.452 20 0 DGADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc(F)cc1 ZINC000183181339 432266893 /nfs/dbraw/zinc/26/68/93/432266893.db2.gz PNNNLCCBFZCQFV-SFHVURJKSA-N 2 2 319.424 3.104 20 0 DGADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc(F)cc1 ZINC000183181339 432266895 /nfs/dbraw/zinc/26/68/95/432266895.db2.gz PNNNLCCBFZCQFV-SFHVURJKSA-N 2 2 319.424 3.104 20 0 DGADLP C[C@H]1SCC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000183179912 432267018 /nfs/dbraw/zinc/26/70/18/432267018.db2.gz NWURCLGBYLRESZ-NVXWUHKLSA-N 2 2 301.459 3.452 20 0 DGADLP C[C@H]1SCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000183179912 432267022 /nfs/dbraw/zinc/26/70/22/432267022.db2.gz NWURCLGBYLRESZ-NVXWUHKLSA-N 2 2 301.459 3.452 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248803939 432320746 /nfs/dbraw/zinc/32/07/46/432320746.db2.gz AVQAAPNBVWRFFH-SUMWQHHRSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248803939 432320750 /nfs/dbraw/zinc/32/07/50/432320750.db2.gz AVQAAPNBVWRFFH-SUMWQHHRSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248803939 432320751 /nfs/dbraw/zinc/32/07/51/432320751.db2.gz AVQAAPNBVWRFFH-SUMWQHHRSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248803939 432320756 /nfs/dbraw/zinc/32/07/56/432320756.db2.gz AVQAAPNBVWRFFH-SUMWQHHRSA-N 2 2 308.853 3.265 20 0 DGADLP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000192043849 432326914 /nfs/dbraw/zinc/32/69/14/432326914.db2.gz CWCLVWGKQSPZPP-DLBZAZTESA-N 2 2 308.853 3.246 20 0 DGADLP Cc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)[nH+]1 ZINC000183881874 432332459 /nfs/dbraw/zinc/33/24/59/432332459.db2.gz UMTNCGRDTRHXMX-CQSZACIVSA-N 2 2 304.438 3.084 20 0 DGADLP Fc1cc([C@H]2OCC[C@H]2[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC000192100741 432333772 /nfs/dbraw/zinc/33/37/72/432333772.db2.gz YRMDTCBUOIXEOE-HZPDHXFCSA-N 2 2 323.799 3.186 20 0 DGADLP CC[N@H+](C[C@@H]1CC[C@@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000249127697 432339502 /nfs/dbraw/zinc/33/95/02/432339502.db2.gz UKECQYJSCFKZAN-AEFFLSMTSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000249127697 432339505 /nfs/dbraw/zinc/33/95/05/432339505.db2.gz UKECQYJSCFKZAN-AEFFLSMTSA-N 2 2 317.477 3.187 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)c1cccc(OC)c1 ZINC000249160899 432341269 /nfs/dbraw/zinc/34/12/69/432341269.db2.gz YVAUHRHXKZOYRY-ATZDWAIDSA-N 2 2 320.477 3.093 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1cccs1 ZINC000174460197 432348389 /nfs/dbraw/zinc/34/83/89/432348389.db2.gz HETMUWVUQFSSKW-CXAGYDPISA-N 2 2 320.458 3.006 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1cccs1 ZINC000174460197 432348395 /nfs/dbraw/zinc/34/83/95/432348395.db2.gz HETMUWVUQFSSKW-CXAGYDPISA-N 2 2 320.458 3.006 20 0 DGADLP COCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000152720152 432350981 /nfs/dbraw/zinc/35/09/81/432350981.db2.gz OEFKOWVTEQEXPO-AWEZNQCLSA-N 2 2 310.869 3.319 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271206676 432352809 /nfs/dbraw/zinc/35/28/09/432352809.db2.gz GKKPMAFSVVXXBC-CZUORRHYSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271206676 432352815 /nfs/dbraw/zinc/35/28/15/432352815.db2.gz GKKPMAFSVVXXBC-CZUORRHYSA-N 2 2 303.381 3.114 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1F ZINC000152744244 432353150 /nfs/dbraw/zinc/35/31/50/432353150.db2.gz HHWKKYYPNOWAFT-LBPRGKRZSA-N 2 2 305.372 3.391 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183650339 432312722 /nfs/dbraw/zinc/31/27/22/432312722.db2.gz WDIWHMUFUJEWTQ-GJZGRUSLSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183650339 432312725 /nfs/dbraw/zinc/31/27/25/432312725.db2.gz WDIWHMUFUJEWTQ-GJZGRUSLSA-N 2 2 316.449 3.165 20 0 DGADLP Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(C)[nH+]1 ZINC000152232666 432315666 /nfs/dbraw/zinc/31/56/66/432315666.db2.gz XNLUOHAEPBCUIQ-UHFFFAOYSA-N 2 2 312.417 3.082 20 0 DGADLP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251861913 432371854 /nfs/dbraw/zinc/37/18/54/432371854.db2.gz SNTOWTHRFRPZAY-ZWNOBZJWSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251861913 432371860 /nfs/dbraw/zinc/37/18/60/432371860.db2.gz SNTOWTHRFRPZAY-ZWNOBZJWSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000252714928 432386780 /nfs/dbraw/zinc/38/67/80/432386780.db2.gz UBOYFSJFNIVZKE-WCQYABFASA-N 2 2 302.340 3.015 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000252714928 432386783 /nfs/dbraw/zinc/38/67/83/432386783.db2.gz UBOYFSJFNIVZKE-WCQYABFASA-N 2 2 302.340 3.015 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)C[NH+]1CCOCC1 ZINC000153169159 432388674 /nfs/dbraw/zinc/38/86/74/432388674.db2.gz UDBJPKQIUGKQNN-STQMWFEESA-N 2 2 314.832 3.098 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000253193293 432389638 /nfs/dbraw/zinc/38/96/38/432389638.db2.gz OKJBCQBEOLRHCD-DZGCQCFKSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000253193293 432389639 /nfs/dbraw/zinc/38/96/39/432389639.db2.gz OKJBCQBEOLRHCD-DZGCQCFKSA-N 2 2 301.459 3.227 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1)[NH+](C)C ZINC000192587220 432390365 /nfs/dbraw/zinc/39/03/65/432390365.db2.gz OLNILNJJWOTLEE-MRXNPFEDSA-N 2 2 313.401 3.461 20 0 DGADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153193122 432390929 /nfs/dbraw/zinc/39/09/29/432390929.db2.gz UPOLFULUKVNALL-HZPDHXFCSA-N 2 2 322.518 3.418 20 0 DGADLP c1c(CC[NH2+][C@H]2CCCOc3ccccc32)[nH+]c2n1CCCC2 ZINC000152793030 432356245 /nfs/dbraw/zinc/35/62/45/432356245.db2.gz JQZPNWKBXVLLQM-KRWDZBQOSA-N 2 2 311.429 3.265 20 0 DGADLP CC[C@@H](COC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000152897280 432366678 /nfs/dbraw/zinc/36/66/78/432366678.db2.gz ARRJTOQURXEYCN-HNNXBMFYSA-N 2 2 310.869 3.319 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000192924902 432428370 /nfs/dbraw/zinc/42/83/70/432428370.db2.gz ZBSBNFQOWSSSMW-HNNXBMFYSA-N 2 2 306.450 3.230 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000261542861 432430741 /nfs/dbraw/zinc/43/07/41/432430741.db2.gz QVCVIQXYOFFYER-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000261542861 432430746 /nfs/dbraw/zinc/43/07/46/432430746.db2.gz QVCVIQXYOFFYER-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261566558 432431542 /nfs/dbraw/zinc/43/15/42/432431542.db2.gz IHOLTHJXJWDIHG-UXIGCNINSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261566558 432431545 /nfs/dbraw/zinc/43/15/45/432431545.db2.gz IHOLTHJXJWDIHG-UXIGCNINSA-N 2 2 309.251 3.194 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000261555226 432431625 /nfs/dbraw/zinc/43/16/25/432431625.db2.gz PNHYHTKJCNCMKC-CYBMUJFWSA-N 2 2 303.219 3.051 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cncc(F)c1 ZINC000153670430 432431976 /nfs/dbraw/zinc/43/19/76/432431976.db2.gz MOIKEQIYKQJOCY-GFCCVEGCSA-N 2 2 314.339 3.396 20 0 DGADLP CC(C)c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261673546 432441204 /nfs/dbraw/zinc/44/12/04/432441204.db2.gz HTYJGCCMVQSZAQ-WBVHZDCISA-N 2 2 315.486 3.441 20 0 DGADLP CC(C)c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261673546 432441206 /nfs/dbraw/zinc/44/12/06/432441206.db2.gz HTYJGCCMVQSZAQ-WBVHZDCISA-N 2 2 315.486 3.441 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261831336 432455177 /nfs/dbraw/zinc/45/51/77/432455177.db2.gz OFZCJJAYNGMIMR-RBUKOAKNSA-N 2 2 318.424 3.003 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261831336 432455180 /nfs/dbraw/zinc/45/51/80/432455180.db2.gz OFZCJJAYNGMIMR-RBUKOAKNSA-N 2 2 318.424 3.003 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863656 432456446 /nfs/dbraw/zinc/45/64/46/432456446.db2.gz GGYIAJCSBIGZQI-JSGCOSHPSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000261863656 432456451 /nfs/dbraw/zinc/45/64/51/432456451.db2.gz GGYIAJCSBIGZQI-JSGCOSHPSA-N 2 2 303.381 3.040 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255131768 432408059 /nfs/dbraw/zinc/40/80/59/432408059.db2.gz VDYZJYCMIYWUNZ-RQOWECAXSA-N 2 2 322.880 3.132 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255131768 432408061 /nfs/dbraw/zinc/40/80/61/432408061.db2.gz VDYZJYCMIYWUNZ-RQOWECAXSA-N 2 2 322.880 3.132 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271530760 432416130 /nfs/dbraw/zinc/41/61/30/432416130.db2.gz RAXMAHDBVDXMGI-SUMWQHHRSA-N 2 2 307.401 3.324 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000262062432 432471661 /nfs/dbraw/zinc/47/16/61/432471661.db2.gz FCYOQZIXURYSDE-XUJVJEKNSA-N 2 2 316.367 3.123 20 0 DGADLP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)([NH+](C)C)C1 ZINC000262132027 432476050 /nfs/dbraw/zinc/47/60/50/432476050.db2.gz LNSHYLPCWDMQAN-SPOLIRPYSA-N 3 2 307.526 3.007 20 0 DGADLP COCCC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCCCC1 ZINC000185225957 432479047 /nfs/dbraw/zinc/47/90/47/432479047.db2.gz FSERQMUAEITQBX-UHFFFAOYSA-N 2 2 301.434 3.411 20 0 DGADLP Clc1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000262395766 432483872 /nfs/dbraw/zinc/48/38/72/432483872.db2.gz BVRIIZSKSGIMDU-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000262395766 432483876 /nfs/dbraw/zinc/48/38/76/432483876.db2.gz BVRIIZSKSGIMDU-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000176282801 432507293 /nfs/dbraw/zinc/50/72/93/432507293.db2.gz IQQFGOMPTCLQPI-CQSZACIVSA-N 2 2 320.868 3.151 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000176282801 432507297 /nfs/dbraw/zinc/50/72/97/432507297.db2.gz IQQFGOMPTCLQPI-CQSZACIVSA-N 2 2 320.868 3.151 20 0 DGADLP c1c(CC[NH2+]CCSCc2ccccc2)[nH+]c2ccccn12 ZINC000193915997 432508536 /nfs/dbraw/zinc/50/85/36/432508536.db2.gz SKSKDJPFWKLUOM-UHFFFAOYSA-N 2 2 311.454 3.400 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(C)CC[NH+](C)CC2)n1-c1ccccc1 ZINC000272490537 432510317 /nfs/dbraw/zinc/51/03/17/432510317.db2.gz FKKKIYUEFLQZQS-UHFFFAOYSA-N 3 2 312.461 3.002 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261929937 432461298 /nfs/dbraw/zinc/46/12/98/432461298.db2.gz STFSOALQIYRBHJ-APWZRJJASA-N 2 2 310.441 3.133 20 0 DGADLP Clc1ccc2[nH]c([C@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261946241 432464155 /nfs/dbraw/zinc/46/41/55/432464155.db2.gz NJPXCCQPNWUHQC-BLLLJJGKSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2[nH]c([C@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000261946241 432464158 /nfs/dbraw/zinc/46/41/58/432464158.db2.gz NJPXCCQPNWUHQC-BLLLJJGKSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946241 432464161 /nfs/dbraw/zinc/46/41/61/432464161.db2.gz NJPXCCQPNWUHQC-BLLLJJGKSA-N 2 2 318.852 3.353 20 0 DGADLP Clc1ccc2nc([C@H]3CCC[N@H+]3C[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000261946241 432464165 /nfs/dbraw/zinc/46/41/65/432464165.db2.gz NJPXCCQPNWUHQC-BLLLJJGKSA-N 2 2 318.852 3.353 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000261968965 432466106 /nfs/dbraw/zinc/46/61/06/432466106.db2.gz YRWZSFZQXTZINH-PMACEKPBSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000261968965 432466109 /nfs/dbraw/zinc/46/61/09/432466109.db2.gz YRWZSFZQXTZINH-PMACEKPBSA-N 2 2 310.441 3.292 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](CCCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000193332541 432467386 /nfs/dbraw/zinc/46/73/86/432467386.db2.gz JLASVFPGKQOLID-BETUJISGSA-N 2 2 313.272 3.419 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](CCCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000193332541 432467390 /nfs/dbraw/zinc/46/73/90/432467390.db2.gz JLASVFPGKQOLID-BETUJISGSA-N 2 2 313.272 3.419 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](CCCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000193332541 432467395 /nfs/dbraw/zinc/46/73/95/432467395.db2.gz JLASVFPGKQOLID-BETUJISGSA-N 2 2 313.272 3.419 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](CCCc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000193332541 432467397 /nfs/dbraw/zinc/46/73/97/432467397.db2.gz JLASVFPGKQOLID-BETUJISGSA-N 2 2 313.272 3.419 20 0 DGADLP C[C@@]1(C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028478 432469787 /nfs/dbraw/zinc/46/97/87/432469787.db2.gz NVHMYQCNDVUPHD-WMLDXEAASA-N 2 2 308.853 3.183 20 0 DGADLP C[C@@]1(C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028478 432469792 /nfs/dbraw/zinc/46/97/92/432469792.db2.gz NVHMYQCNDVUPHD-WMLDXEAASA-N 2 2 308.853 3.183 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)sc1Br ZINC000262032271 432470270 /nfs/dbraw/zinc/47/02/70/432470270.db2.gz OECYUANGBSVLTO-CYBMUJFWSA-N 2 2 315.280 3.004 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)sc1Br ZINC000262032271 432470274 /nfs/dbraw/zinc/47/02/74/432470274.db2.gz OECYUANGBSVLTO-CYBMUJFWSA-N 2 2 315.280 3.004 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000155615090 432563872 /nfs/dbraw/zinc/56/38/72/432563872.db2.gz CKSJHARDLWROTA-YJBOKZPZSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000155615090 432563876 /nfs/dbraw/zinc/56/38/76/432563876.db2.gz CKSJHARDLWROTA-YJBOKZPZSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H](c1ccccc1)N(C)C ZINC000185686926 432523936 /nfs/dbraw/zinc/52/39/36/432523936.db2.gz HOSKLNUOWYTTSV-DNVCBOLYSA-N 2 2 308.429 3.115 20 0 DGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H](c1ccccc1)N(C)C ZINC000185686875 432524745 /nfs/dbraw/zinc/52/47/45/432524745.db2.gz HOSKLNUOWYTTSV-KXBFYZLASA-N 2 2 308.429 3.115 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186573507 432609344 /nfs/dbraw/zinc/60/93/44/432609344.db2.gz VDKAGOQFLCCNFY-QXAKKESOSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186573507 432609348 /nfs/dbraw/zinc/60/93/48/432609348.db2.gz VDKAGOQFLCCNFY-QXAKKESOSA-N 2 2 304.478 3.158 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000194835896 432579662 /nfs/dbraw/zinc/57/96/62/432579662.db2.gz NVFPUFCJDJQKMW-HOTGVXAUSA-N 2 2 322.518 3.416 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000194835896 432579664 /nfs/dbraw/zinc/57/96/64/432579664.db2.gz NVFPUFCJDJQKMW-HOTGVXAUSA-N 2 2 322.518 3.416 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccc(O)c1 ZINC000194848680 432580898 /nfs/dbraw/zinc/58/08/98/432580898.db2.gz PMVQOFLWUNGJIK-OAHLLOKOSA-N 2 2 320.502 3.404 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186326350 432583861 /nfs/dbraw/zinc/58/38/61/432583861.db2.gz UHWFWDONBMXIBD-UHFFFAOYSA-N 2 2 318.461 3.294 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000157423341 432621353 /nfs/dbraw/zinc/62/13/53/432621353.db2.gz WNCZSGMUWCAQPW-UHFFFAOYSA-N 2 2 320.868 3.143 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000157423341 432621357 /nfs/dbraw/zinc/62/13/57/432621357.db2.gz WNCZSGMUWCAQPW-UHFFFAOYSA-N 2 2 320.868 3.143 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177581230 432638950 /nfs/dbraw/zinc/63/89/50/432638950.db2.gz RSPZRRFYHFEZDG-IBGZPJMESA-N 2 2 321.424 3.220 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000152802500 282043460 /nfs/dbraw/zinc/04/34/60/282043460.db2.gz YBTZQBQMTOPZDA-CQSZACIVSA-N 2 2 316.474 3.194 20 0 DGADLP Cc1ncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000264532442 432655545 /nfs/dbraw/zinc/65/55/45/432655545.db2.gz JLYMBCHNZFLPOK-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000274388795 432660559 /nfs/dbraw/zinc/66/05/59/432660559.db2.gz VCWXCJIRSKHFLD-JFRXWTBNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000274388795 432660565 /nfs/dbraw/zinc/66/05/65/432660565.db2.gz VCWXCJIRSKHFLD-JFRXWTBNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000187369533 432660826 /nfs/dbraw/zinc/66/08/26/432660826.db2.gz YZKCQGJDQXNDNT-HZPDHXFCSA-N 2 2 322.880 3.098 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000187369533 432660828 /nfs/dbraw/zinc/66/08/28/432660828.db2.gz YZKCQGJDQXNDNT-HZPDHXFCSA-N 2 2 322.880 3.098 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(Br)c2)C1 ZINC000177838578 432666718 /nfs/dbraw/zinc/66/67/18/432666718.db2.gz AYLKNGDONBIJIA-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(Br)c2)C1 ZINC000177838578 432666723 /nfs/dbraw/zinc/66/67/23/432666723.db2.gz AYLKNGDONBIJIA-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000177838578 432666728 /nfs/dbraw/zinc/66/67/28/432666728.db2.gz AYLKNGDONBIJIA-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000177838578 432666731 /nfs/dbraw/zinc/66/67/31/432666731.db2.gz AYLKNGDONBIJIA-CQSZACIVSA-N 2 2 311.267 3.223 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537372 432706070 /nfs/dbraw/zinc/70/60/70/432706070.db2.gz KGZXSQPGJCNLHS-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537372 432706075 /nfs/dbraw/zinc/70/60/75/432706075.db2.gz KGZXSQPGJCNLHS-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000228659900 432719705 /nfs/dbraw/zinc/71/97/05/432719705.db2.gz JAMQBQWZPRZZOO-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1Cl ZINC000228659900 432719707 /nfs/dbraw/zinc/71/97/07/432719707.db2.gz JAMQBQWZPRZZOO-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159221338 432675954 /nfs/dbraw/zinc/67/59/54/432675954.db2.gz GSRKUNZAMVCKPF-ZYSHUDEJSA-N 2 2 313.445 3.464 20 0 DGADLP COc1cccc([C@H](CNc2cc[nH+]c(C)n2)[NH+]2CCCC2)c1 ZINC000266174633 432754586 /nfs/dbraw/zinc/75/45/86/432754586.db2.gz SLOSBQRICQMTFP-KRWDZBQOSA-N 2 2 312.417 3.043 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000236948074 432773251 /nfs/dbraw/zinc/77/32/51/432773251.db2.gz QFTMCPIYLHJYBV-UHFFFAOYSA-N 2 2 314.433 3.274 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(O)c1 ZINC000178756196 432775077 /nfs/dbraw/zinc/77/50/77/432775077.db2.gz MSUQPISAWGKUQK-HNNXBMFYSA-N 2 2 311.429 3.102 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+](CC)CC ZINC000265788321 432731071 /nfs/dbraw/zinc/73/10/71/432731071.db2.gz HVCRXDWYRSCHDG-HNNXBMFYSA-N 2 2 300.406 3.136 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670806 432733038 /nfs/dbraw/zinc/73/30/38/432733038.db2.gz QPOKLRPWYGGAHL-ZDUSSCGKSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670806 432733041 /nfs/dbraw/zinc/73/30/41/432733041.db2.gz QPOKLRPWYGGAHL-ZDUSSCGKSA-N 2 2 305.447 3.285 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000178426019 432735445 /nfs/dbraw/zinc/73/54/45/432735445.db2.gz NHTPTKCLTIXXSK-KRWDZBQOSA-N 2 2 313.445 3.144 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000178426019 432735449 /nfs/dbraw/zinc/73/54/49/432735449.db2.gz NHTPTKCLTIXXSK-KRWDZBQOSA-N 2 2 313.445 3.144 20 0 DGADLP COc1cccc2c(N3CCC(c4[nH]cc[nH+]4)CC3)cc[nH+]c12 ZINC000275632798 432735693 /nfs/dbraw/zinc/73/56/93/432735693.db2.gz UEEHRQXCUVXUCL-UHFFFAOYSA-N 2 2 308.385 3.351 20 0 DGADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C ZINC000178441663 432736684 /nfs/dbraw/zinc/73/66/84/432736684.db2.gz PCUXXZFOXBXKEI-QGZVFWFLSA-N 2 2 317.477 3.130 20 0 DGADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)Nc1ccccc1C ZINC000178441663 432736687 /nfs/dbraw/zinc/73/66/87/432736687.db2.gz PCUXXZFOXBXKEI-QGZVFWFLSA-N 2 2 317.477 3.130 20 0 DGADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)Nc1ccccc1C ZINC000178441663 432736689 /nfs/dbraw/zinc/73/66/89/432736689.db2.gz PCUXXZFOXBXKEI-QGZVFWFLSA-N 2 2 317.477 3.130 20 0 DGADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C ZINC000178441663 432736691 /nfs/dbraw/zinc/73/66/91/432736691.db2.gz PCUXXZFOXBXKEI-QGZVFWFLSA-N 2 2 317.477 3.130 20 0 DGADLP c1c[nH+]c(C2CC[NH+](CCCOCCc3ccccc3)CC2)[nH]1 ZINC000266721596 432781839 /nfs/dbraw/zinc/78/18/39/432781839.db2.gz HPAYBSHCNZRJCB-UHFFFAOYSA-N 2 2 313.445 3.239 20 0 DGADLP Fc1c(Br)cccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000236124547 432746115 /nfs/dbraw/zinc/74/61/15/432746115.db2.gz SKYKITCGOHGAOJ-UHFFFAOYSA-N 2 2 315.230 3.164 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCc1ccccc1-n1cc[nH+]c1 ZINC000189752584 432816256 /nfs/dbraw/zinc/81/62/56/432816256.db2.gz DVGINFMYJGQQOO-UHFFFAOYSA-N 2 2 303.369 3.371 20 0 DGADLP CC(C)(C)OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000162490121 432825117 /nfs/dbraw/zinc/82/51/17/432825117.db2.gz JUCLSRLEBZZZHH-UHFFFAOYSA-N 2 2 314.433 3.047 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2sccc2Br)CC1 ZINC000277016261 432829287 /nfs/dbraw/zinc/82/92/87/432829287.db2.gz ABFHDGWQTCCCPH-LLVKDONJSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2sccc2Br)CC1 ZINC000277016261 432829289 /nfs/dbraw/zinc/82/92/89/432829289.db2.gz ABFHDGWQTCCCPH-LLVKDONJSA-N 2 2 317.296 3.427 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000162899748 432837366 /nfs/dbraw/zinc/83/73/66/432837366.db2.gz LUTOBIHNKYYOAP-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000162899748 432837369 /nfs/dbraw/zinc/83/73/69/432837369.db2.gz LUTOBIHNKYYOAP-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000237273439 432783669 /nfs/dbraw/zinc/78/36/69/432783669.db2.gz LBAZDXUSRLLBKI-GFCCVEGCSA-N 2 2 314.433 3.405 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000161883831 432803108 /nfs/dbraw/zinc/80/31/08/432803108.db2.gz WXYIBGKCEOLGJK-NVXWUHKLSA-N 2 2 312.461 3.116 20 0 DGADLP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000161883831 432803111 /nfs/dbraw/zinc/80/31/11/432803111.db2.gz WXYIBGKCEOLGJK-NVXWUHKLSA-N 2 2 312.461 3.116 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc21 ZINC000267028529 432806931 /nfs/dbraw/zinc/80/69/31/432806931.db2.gz DKDFRAVDQCQAKY-GOSISDBHSA-N 2 2 304.397 3.387 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000237988806 432808522 /nfs/dbraw/zinc/80/85/22/432808522.db2.gz QRMBQLUNGTTWOV-QGZVFWFLSA-N 2 2 323.396 3.202 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000238028233 432809899 /nfs/dbraw/zinc/80/98/99/432809899.db2.gz ZQSMWIMIMDQZRK-KGLIPLIRSA-N 2 2 311.385 3.330 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000277564282 432861393 /nfs/dbraw/zinc/86/13/93/432861393.db2.gz AQFBXUZPNGDVJG-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000277564282 432861395 /nfs/dbraw/zinc/86/13/95/432861395.db2.gz AQFBXUZPNGDVJG-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000277576060 432862096 /nfs/dbraw/zinc/86/20/96/432862096.db2.gz SXZXGCYZPXMSEZ-CQSZACIVSA-N 2 2 318.490 3.189 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000277576060 432862097 /nfs/dbraw/zinc/86/20/97/432862097.db2.gz SXZXGCYZPXMSEZ-CQSZACIVSA-N 2 2 318.490 3.189 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)c1cccc(CO)c1 ZINC000245841330 432865298 /nfs/dbraw/zinc/86/52/98/432865298.db2.gz DLOYQNLCIFPIPE-DLBZAZTESA-N 2 2 312.457 3.350 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)c1cccc(CO)c1 ZINC000245841330 432865301 /nfs/dbraw/zinc/86/53/01/432865301.db2.gz DLOYQNLCIFPIPE-DLBZAZTESA-N 2 2 312.457 3.350 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)[NH+](C)C)cc1 ZINC000245904430 432869399 /nfs/dbraw/zinc/86/93/99/432869399.db2.gz OKJKYCQKQLAFFP-FCGDIQPGSA-N 2 2 316.489 3.391 20 0 DGADLP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000278404877 432893064 /nfs/dbraw/zinc/89/30/64/432893064.db2.gz GZRZPMYCIUHQFB-UHFFFAOYSA-N 2 2 320.396 3.381 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1O ZINC000277361254 432842731 /nfs/dbraw/zinc/84/27/31/432842731.db2.gz ZVGQNWYKAXKWGM-HZPDHXFCSA-N 2 2 320.477 3.186 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277396896 432845839 /nfs/dbraw/zinc/84/58/39/432845839.db2.gz ZEDYJDHUGWNAQN-HNNXBMFYSA-N 2 2 324.852 3.043 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277396896 432845841 /nfs/dbraw/zinc/84/58/41/432845841.db2.gz ZEDYJDHUGWNAQN-HNNXBMFYSA-N 2 2 324.852 3.043 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000245568772 432846528 /nfs/dbraw/zinc/84/65/28/432846528.db2.gz VVSJTXWZYJWYNB-WMZOPIPTSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000245568772 432846532 /nfs/dbraw/zinc/84/65/32/432846532.db2.gz VVSJTXWZYJWYNB-WMZOPIPTSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000245568772 432846533 /nfs/dbraw/zinc/84/65/33/432846533.db2.gz VVSJTXWZYJWYNB-WMZOPIPTSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000245568772 432846536 /nfs/dbraw/zinc/84/65/36/432846536.db2.gz VVSJTXWZYJWYNB-WMZOPIPTSA-N 2 2 302.462 3.479 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000163293270 432849126 /nfs/dbraw/zinc/84/91/26/432849126.db2.gz JOIYFTSZBFLMMP-BBRMVZONSA-N 2 2 305.447 3.105 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000163293270 432849128 /nfs/dbraw/zinc/84/91/28/432849128.db2.gz JOIYFTSZBFLMMP-BBRMVZONSA-N 2 2 305.447 3.105 20 0 DGADLP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000163283507 432849921 /nfs/dbraw/zinc/84/99/21/432849921.db2.gz ATULRLQOOSVMPE-GUTXKFCHSA-N 2 2 320.462 3.130 20 0 DGADLP CO[C@H](C)c1nc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000163283507 432849923 /nfs/dbraw/zinc/84/99/23/432849923.db2.gz ATULRLQOOSVMPE-GUTXKFCHSA-N 2 2 320.462 3.130 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000163413358 432852882 /nfs/dbraw/zinc/85/28/82/432852882.db2.gz RZIHXZJOGQTAMN-AAEUAGOBSA-N 2 2 302.340 3.002 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000163413358 432852885 /nfs/dbraw/zinc/85/28/85/432852885.db2.gz RZIHXZJOGQTAMN-AAEUAGOBSA-N 2 2 302.340 3.002 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000289321887 432944403 /nfs/dbraw/zinc/94/44/03/432944403.db2.gz TWBRCKKNMAPDOG-UHFFFAOYSA-N 2 2 320.440 3.341 20 0 DGADLP Cc1cn[nH]c1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000289838148 432976795 /nfs/dbraw/zinc/97/67/95/432976795.db2.gz KAZRSCRXXNYHTL-UHFFFAOYSA-N 2 2 318.852 3.126 20 0 DGADLP CCn1nc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c2ccccc21 ZINC000349561545 432977093 /nfs/dbraw/zinc/97/70/93/432977093.db2.gz BNNFJWNICPEYJJ-UHFFFAOYSA-N 2 2 314.477 3.268 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349633524 432984211 /nfs/dbraw/zinc/98/42/11/432984211.db2.gz SNWUDKSFOAFSLP-RYUDHWBXSA-N 2 2 301.887 3.254 20 0 DGADLP CCSc1cccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000349631424 432984537 /nfs/dbraw/zinc/98/45/37/432984537.db2.gz NZUCHCQOHJGZFP-QGZVFWFLSA-N 2 2 322.518 3.245 20 0 DGADLP Brc1cccc2c1CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000341182178 432985005 /nfs/dbraw/zinc/98/50/05/432985005.db2.gz HBVYLMKOXYYRNW-OAHLLOKOSA-N 2 2 320.234 3.313 20 0 DGADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)CCc1c[nH+]cn1C ZINC000290048426 432985219 /nfs/dbraw/zinc/98/52/19/432985219.db2.gz OOTKACNZMHPTGG-GFCCVEGCSA-N 2 2 300.431 3.265 20 0 DGADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290048426 432985223 /nfs/dbraw/zinc/98/52/23/432985223.db2.gz OOTKACNZMHPTGG-GFCCVEGCSA-N 2 2 300.431 3.265 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](c1ccccc1)c1cncnc1)[NH+]1CCCCC1 ZINC000349722431 432997969 /nfs/dbraw/zinc/99/79/69/432997969.db2.gz PBOWFKGXBIIMOW-PXNSSMCTSA-N 2 2 324.472 3.420 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000349724051 432998212 /nfs/dbraw/zinc/99/82/12/432998212.db2.gz SQRCPUGAKWVSOB-WKCGWZECSA-N 2 2 318.436 3.261 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000349724051 432998214 /nfs/dbraw/zinc/99/82/14/432998214.db2.gz SQRCPUGAKWVSOB-WKCGWZECSA-N 2 2 318.436 3.261 20 0 DGADLP Cc1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cn2cc[nH+]c12 ZINC000297061618 432954055 /nfs/dbraw/zinc/95/40/55/432954055.db2.gz SYMMILNFNYCLHY-AWEZNQCLSA-N 2 2 324.388 3.125 20 0 DGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000349422928 432959470 /nfs/dbraw/zinc/95/94/70/432959470.db2.gz WWDDNFHEHDNKAE-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000349422928 432959472 /nfs/dbraw/zinc/95/94/72/432959472.db2.gz WWDDNFHEHDNKAE-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341253979 433005174 /nfs/dbraw/zinc/00/51/74/433005174.db2.gz DISBTAJANLVZTP-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341253979 433005179 /nfs/dbraw/zinc/00/51/79/433005179.db2.gz DISBTAJANLVZTP-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP Clc1cccc2c(NCCC[NH+]3CCOCC3)cc[nH+]c12 ZINC000341253281 433006214 /nfs/dbraw/zinc/00/62/14/433006214.db2.gz BHZHZGXDIQMPOJ-UHFFFAOYSA-N 2 2 305.809 3.022 20 0 DGADLP CC(C)n1nccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000280151364 433006753 /nfs/dbraw/zinc/00/67/53/433006753.db2.gz FHEQFKQJGYXWAG-UHFFFAOYSA-N 2 2 311.433 3.073 20 0 DGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000297681404 433007128 /nfs/dbraw/zinc/00/71/28/433007128.db2.gz PGNPPGKXUNMFAY-MAUKXSAKSA-N 2 2 313.445 3.444 20 0 DGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000297681404 433007131 /nfs/dbraw/zinc/00/71/31/433007131.db2.gz PGNPPGKXUNMFAY-MAUKXSAKSA-N 2 2 313.445 3.444 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000349798131 433011046 /nfs/dbraw/zinc/01/10/46/433011046.db2.gz DPUICXKWVUYDHJ-HNAYVOBHSA-N 2 2 316.489 3.239 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc3ccc(Cl)cn23)CC1 ZINC000349804007 433012391 /nfs/dbraw/zinc/01/23/91/433012391.db2.gz OIBNKNKXWZPHDW-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc3ccc(Cl)cn23)CC1 ZINC000349804007 433012395 /nfs/dbraw/zinc/01/23/95/433012395.db2.gz OIBNKNKXWZPHDW-UHFFFAOYSA-N 2 2 320.868 3.292 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccon1 ZINC000349827769 433017690 /nfs/dbraw/zinc/01/76/90/433017690.db2.gz DKIWLVLJDCJEEE-PCODUJHASA-N 2 2 311.429 3.236 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccon1 ZINC000349827769 433017693 /nfs/dbraw/zinc/01/76/93/433017693.db2.gz DKIWLVLJDCJEEE-PCODUJHASA-N 2 2 311.429 3.236 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000290235806 433018489 /nfs/dbraw/zinc/01/84/89/433018489.db2.gz GIDHWLUYLCFFNU-UHFFFAOYSA-N 2 2 321.465 3.217 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000290326052 433032112 /nfs/dbraw/zinc/03/21/12/433032112.db2.gz JWXGFLNFRIOSPC-GOEBONIOSA-N 2 2 304.459 3.486 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000290330220 433032405 /nfs/dbraw/zinc/03/24/05/433032405.db2.gz DPDYQESTUIGTNM-UHFFFAOYSA-N 3 2 311.433 3.005 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000290330220 433032408 /nfs/dbraw/zinc/03/24/08/433032408.db2.gz DPDYQESTUIGTNM-UHFFFAOYSA-N 3 2 311.433 3.005 20 0 DGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1cccc(Br)c1 ZINC000297936201 433034635 /nfs/dbraw/zinc/03/46/35/433034635.db2.gz UYADQNQVYUQQNZ-UHFFFAOYSA-N 2 2 322.250 3.247 20 0 DGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1cccc(Br)c1 ZINC000297936201 433034637 /nfs/dbraw/zinc/03/46/37/433034637.db2.gz UYADQNQVYUQQNZ-UHFFFAOYSA-N 2 2 322.250 3.247 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC000290353480 433036594 /nfs/dbraw/zinc/03/65/94/433036594.db2.gz QHSPJRCZWPSHSI-SFHVURJKSA-N 2 2 322.880 3.492 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341361115 433038512 /nfs/dbraw/zinc/03/85/12/433038512.db2.gz FQOGPALQIKGKBU-WLYUNCDWSA-N 2 2 322.415 3.056 20 0 DGADLP COCc1cc(C[NH2+]CCCc2c[nH+]ccc2C)ccc1F ZINC000290426997 433051043 /nfs/dbraw/zinc/05/10/43/433051043.db2.gz RIEHXMVZYOCKFZ-UHFFFAOYSA-N 2 2 302.393 3.398 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000290451521 433054559 /nfs/dbraw/zinc/05/45/59/433054559.db2.gz SVWIHGWYMLQSOR-UHFFFAOYSA-N 2 2 321.465 3.169 20 0 DGADLP CC[C@@H]1C[C@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C)c1 ZINC000419733913 433068420 /nfs/dbraw/zinc/06/84/20/433068420.db2.gz UOGCJCLOVGZUAH-DNVCBOLYSA-N 2 2 312.461 3.210 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749356 433099172 /nfs/dbraw/zinc/09/91/72/433099172.db2.gz ADYMVSWMSPNFTN-ZWKOTPCHSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(F)c1 ZINC000446749356 433099178 /nfs/dbraw/zinc/09/91/78/433099178.db2.gz ADYMVSWMSPNFTN-ZWKOTPCHSA-N 2 2 308.441 3.223 20 0 DGADLP Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341466711 433073875 /nfs/dbraw/zinc/07/38/75/433073875.db2.gz ACNDSTGVYVSGJO-CYBMUJFWSA-N 2 2 302.466 3.585 20 0 DGADLP Cc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341466711 433073886 /nfs/dbraw/zinc/07/38/86/433073886.db2.gz ACNDSTGVYVSGJO-CYBMUJFWSA-N 2 2 302.466 3.585 20 0 DGADLP Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341466717 433074446 /nfs/dbraw/zinc/07/44/46/433074446.db2.gz ACNDSTGVYVSGJO-ZDUSSCGKSA-N 2 2 302.466 3.585 20 0 DGADLP Cc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341466717 433074451 /nfs/dbraw/zinc/07/44/51/433074451.db2.gz ACNDSTGVYVSGJO-ZDUSSCGKSA-N 2 2 302.466 3.585 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453112 433090300 /nfs/dbraw/zinc/09/03/00/433090300.db2.gz UPNUEKICKMJAIG-JQHSSLGASA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453112 433090310 /nfs/dbraw/zinc/09/03/10/433090310.db2.gz UPNUEKICKMJAIG-JQHSSLGASA-N 2 2 304.478 3.036 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341491105 433090396 /nfs/dbraw/zinc/09/03/96/433090396.db2.gz CWXYMMDBWMNWDT-MAUKXSAKSA-N 2 2 322.456 3.910 20 0 DGADLP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC000341489860 433091070 /nfs/dbraw/zinc/09/10/70/433091070.db2.gz BWBQUWADNJPKRU-SFHVURJKSA-N 2 2 322.456 3.911 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCc3cn(C(C)C)nc3C2)c[nH+]1 ZINC000354454859 433091752 /nfs/dbraw/zinc/09/17/52/433091752.db2.gz GEVZWCQCTLVKST-SFHVURJKSA-N 2 2 312.461 3.247 20 0 DGADLP COc1ccccc1O[C@@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354513798 433123835 /nfs/dbraw/zinc/12/38/35/433123835.db2.gz ZFYOXTNWTNOBOT-INIZCTEOSA-N 2 2 314.429 3.388 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1OC ZINC000280668824 433130400 /nfs/dbraw/zinc/13/04/00/433130400.db2.gz UAWLRZOAJWEYAT-LSDHHAIUSA-N 2 2 320.477 3.270 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(C(C)(C)C)[nH+]1 ZINC000420256542 433136380 /nfs/dbraw/zinc/13/63/80/433136380.db2.gz HHQMVYYCRHFKCS-GASCZTMLSA-N 2 2 316.493 3.333 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687839 433140836 /nfs/dbraw/zinc/14/08/36/433140836.db2.gz MJOFAGYFIOJTBP-GVXVVHGQSA-N 2 2 324.266 3.120 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(Br)c2C)C1 ZINC000420271573 433141216 /nfs/dbraw/zinc/14/12/16/433141216.db2.gz KWKUBOJRBAIILC-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2C)C1 ZINC000420271573 433141221 /nfs/dbraw/zinc/14/12/21/433141221.db2.gz KWKUBOJRBAIILC-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c[nH+]1 ZINC000354473977 433103282 /nfs/dbraw/zinc/10/32/82/433103282.db2.gz ZALOEUOQTBIIPY-XLIONFOSSA-N 2 2 312.457 3.467 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000446825635 433111594 /nfs/dbraw/zinc/11/15/94/433111594.db2.gz KFOZBRQGDQKQPZ-VQIMIIECSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000446825635 433111602 /nfs/dbraw/zinc/11/16/02/433111602.db2.gz KFOZBRQGDQKQPZ-VQIMIIECSA-N 2 2 304.478 3.300 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c[nH+]1 ZINC000354497480 433115329 /nfs/dbraw/zinc/11/53/29/433115329.db2.gz ILUWAMGUCJFELE-VQIMIIECSA-N 2 2 323.440 3.106 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000354568040 433156470 /nfs/dbraw/zinc/15/64/70/433156470.db2.gz KDDMATCQTIQUPC-RCCFBDPRSA-N 2 2 300.446 3.260 20 0 DGADLP Cc1ccc(NC(=O)[C@H]([NH2+]CC2([NH3+])CCC2)c2ccccc2)cc1 ZINC000420311793 433160231 /nfs/dbraw/zinc/16/02/31/433160231.db2.gz RPGZOLCVNUEZQU-GOSISDBHSA-N 2 2 323.440 3.146 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000420319280 433162553 /nfs/dbraw/zinc/16/25/53/433162553.db2.gz RNZJIVXSCIMFGX-GOEBONIOSA-N 2 2 308.853 3.311 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000420319280 433162563 /nfs/dbraw/zinc/16/25/63/433162563.db2.gz RNZJIVXSCIMFGX-GOEBONIOSA-N 2 2 308.853 3.311 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000425323280 433163028 /nfs/dbraw/zinc/16/30/28/433163028.db2.gz IVHXOUTUWONMOU-BRWVUGGUSA-N 2 2 304.482 3.301 20 0 DGADLP CSC1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCC1 ZINC000290787173 433165597 /nfs/dbraw/zinc/16/55/97/433165597.db2.gz CSPFXTADBBVUIN-HNNXBMFYSA-N 2 2 319.518 3.482 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000420329416 433166939 /nfs/dbraw/zinc/16/69/39/433166939.db2.gz GSAWYPRWJSQNSN-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000420329416 433166950 /nfs/dbraw/zinc/16/69/50/433166950.db2.gz GSAWYPRWJSQNSN-OCCSQVGLSA-N 2 2 316.367 3.187 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000361425385 433167188 /nfs/dbraw/zinc/16/71/88/433167188.db2.gz FLUARMYAUWOZEC-NSHDSACASA-N 2 2 314.342 3.428 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)[C@H](C[NH3+])C1 ZINC000420338004 433170471 /nfs/dbraw/zinc/17/04/71/433170471.db2.gz NHYRABJXNUDTJN-WBVHZDCISA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@H](C[NH3+])C1 ZINC000420338004 433170478 /nfs/dbraw/zinc/17/04/78/433170478.db2.gz NHYRABJXNUDTJN-WBVHZDCISA-N 2 2 311.429 3.433 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000420358405 433175404 /nfs/dbraw/zinc/17/54/04/433175404.db2.gz IQTSPDYOSKWSSG-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CCCCNC(=O)C1([NH2+]Cc2c[nH+]cn2C(C)C)CCCCC1 ZINC000425337023 433175465 /nfs/dbraw/zinc/17/54/65/433175465.db2.gz MHIQGRUMHRRTNR-UHFFFAOYSA-N 2 2 320.481 3.173 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000420354664 433176495 /nfs/dbraw/zinc/17/64/95/433176495.db2.gz BYLXNICYGOAFOG-LJQANCHMSA-N 2 2 311.429 3.226 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000420354664 433176506 /nfs/dbraw/zinc/17/65/06/433176506.db2.gz BYLXNICYGOAFOG-LJQANCHMSA-N 2 2 311.429 3.226 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000420357861 433176775 /nfs/dbraw/zinc/17/67/75/433176775.db2.gz DUTGHUBDXGKHPT-LALPHHSUSA-N 2 2 316.367 3.104 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)C1CCCCC1 ZINC000420367172 433179826 /nfs/dbraw/zinc/17/98/26/433179826.db2.gz MRUYTKOVCMXYSX-ZDUSSCGKSA-N 2 2 302.249 3.386 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363377 433182049 /nfs/dbraw/zinc/18/20/49/433182049.db2.gz HYFGTQHKSHWVDS-HNAYVOBHSA-N 2 2 311.429 3.478 20 0 DGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363377 433182058 /nfs/dbraw/zinc/18/20/58/433182058.db2.gz HYFGTQHKSHWVDS-HNAYVOBHSA-N 2 2 311.429 3.478 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000420365066 433182704 /nfs/dbraw/zinc/18/27/04/433182704.db2.gz KSBNKJPJPYKRRQ-BFVZDQMLSA-N 2 2 315.230 3.064 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420365604 433183132 /nfs/dbraw/zinc/18/31/32/433183132.db2.gz LJMKRQUYUFYPMR-INIZCTEOSA-N 2 2 317.477 3.035 20 0 DGADLP CC(C)(C)[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(F)cc1 ZINC000420372167 433185299 /nfs/dbraw/zinc/18/52/99/433185299.db2.gz LHKRRMKASDVXJA-AWEZNQCLSA-N 2 2 320.412 3.280 20 0 DGADLP Cc1ccc(CCCN(CCC[NH3+])c2cccc(F)c2)c[nH+]1 ZINC000354625484 433185228 /nfs/dbraw/zinc/18/52/28/433185228.db2.gz GCQVSCSOIZSVFW-UHFFFAOYSA-N 2 2 301.409 3.317 20 0 DGADLP CSC1(C[NH2+]CCCc2[nH+]c3ccccc3n2C)CCC1 ZINC000290855565 433188214 /nfs/dbraw/zinc/18/82/14/433188214.db2.gz KBMCZVYYEGANDD-UHFFFAOYSA-N 2 2 303.475 3.381 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420388436 433194438 /nfs/dbraw/zinc/19/44/38/433194438.db2.gz GXLQCQSNVJHRBU-IIAWOOMASA-N 2 2 323.506 3.205 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420388436 433194445 /nfs/dbraw/zinc/19/44/45/433194445.db2.gz GXLQCQSNVJHRBU-IIAWOOMASA-N 2 2 323.506 3.205 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420405465 433198026 /nfs/dbraw/zinc/19/80/26/433198026.db2.gz MYALIVLQAFNYEA-AGIUHOORSA-N 2 2 322.403 3.409 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420405465 433198034 /nfs/dbraw/zinc/19/80/34/433198034.db2.gz MYALIVLQAFNYEA-AGIUHOORSA-N 2 2 322.403 3.409 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420391140 433198487 /nfs/dbraw/zinc/19/84/87/433198487.db2.gz YPWNZOKSLLDUDK-KRWDZBQOSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420391140 433198493 /nfs/dbraw/zinc/19/84/93/433198493.db2.gz YPWNZOKSLLDUDK-KRWDZBQOSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1nc(N2CC[NH+](C[C@H](c3ccccc3)C(C)C)CC2)cc[nH+]1 ZINC000354646541 433198545 /nfs/dbraw/zinc/19/85/45/433198545.db2.gz KIBBNIPTBQORNS-IBGZPJMESA-N 2 2 324.472 3.347 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000425368206 433204627 /nfs/dbraw/zinc/20/46/27/433204627.db2.gz JNSLNKPHOVQEPO-KRWDZBQOSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000425368206 433204636 /nfs/dbraw/zinc/20/46/36/433204636.db2.gz JNSLNKPHOVQEPO-KRWDZBQOSA-N 2 2 312.461 3.170 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379584 433215261 /nfs/dbraw/zinc/21/52/61/433215261.db2.gz KPXOSPFVFDHBBI-WBVHZDCISA-N 2 2 312.461 3.254 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379584 433215269 /nfs/dbraw/zinc/21/52/69/433215269.db2.gz KPXOSPFVFDHBBI-WBVHZDCISA-N 2 2 312.461 3.254 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280902342 433217685 /nfs/dbraw/zinc/21/76/85/433217685.db2.gz RHBHFOLYCIWINK-AUUYWEPGSA-N 2 2 323.396 3.202 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728320 433268343 /nfs/dbraw/zinc/26/83/43/433268343.db2.gz CRFPEZNZGAYIQX-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728320 433268351 /nfs/dbraw/zinc/26/83/51/433268351.db2.gz CRFPEZNZGAYIQX-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728320 433268358 /nfs/dbraw/zinc/26/83/58/433268358.db2.gz CRFPEZNZGAYIQX-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728320 433268365 /nfs/dbraw/zinc/26/83/65/433268365.db2.gz CRFPEZNZGAYIQX-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP COC(=O)c1cccc2c1CC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000453593657 433224541 /nfs/dbraw/zinc/22/45/41/433224541.db2.gz CTCRPRICOHXAEK-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP COC(=O)c1cccc2c1CC[N@@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000453593657 433224548 /nfs/dbraw/zinc/22/45/48/433224548.db2.gz CTCRPRICOHXAEK-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C(C)C)C3(CO)CCCC3)n2c1 ZINC000453611471 433233498 /nfs/dbraw/zinc/23/34/98/433233498.db2.gz IPLIHYGTVRCYJI-GOSISDBHSA-N 2 2 315.461 3.310 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000341762934 433259005 /nfs/dbraw/zinc/25/90/05/433259005.db2.gz VWLJMIXOQLBTER-HKUYNNGSSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000341762934 433259014 /nfs/dbraw/zinc/25/90/14/433259014.db2.gz VWLJMIXOQLBTER-HKUYNNGSSA-N 2 2 320.452 3.150 20 0 DGADLP C[C@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916462 433313590 /nfs/dbraw/zinc/31/35/90/433313590.db2.gz OOSUXPOHBSXIPW-KRWDZBQOSA-N 2 2 302.462 3.283 20 0 DGADLP C[C@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916462 433313598 /nfs/dbraw/zinc/31/35/98/433313598.db2.gz OOSUXPOHBSXIPW-KRWDZBQOSA-N 2 2 302.462 3.283 20 0 DGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000338195052 433281887 /nfs/dbraw/zinc/28/18/87/433281887.db2.gz KGBSYOQDQSUZKK-MRXNPFEDSA-N 2 2 317.383 3.317 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374813563 433283667 /nfs/dbraw/zinc/28/36/67/433283667.db2.gz FUYJRRNFNVEDMA-KRWDZBQOSA-N 2 2 305.372 3.291 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374813563 433283677 /nfs/dbraw/zinc/28/36/77/433283677.db2.gz FUYJRRNFNVEDMA-KRWDZBQOSA-N 2 2 305.372 3.291 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637288 433293112 /nfs/dbraw/zinc/29/31/12/433293112.db2.gz SUWNABPKBFQDRA-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637288 433293124 /nfs/dbraw/zinc/29/31/24/433293124.db2.gz SUWNABPKBFQDRA-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637288 433293130 /nfs/dbraw/zinc/29/31/30/433293130.db2.gz SUWNABPKBFQDRA-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637288 433293141 /nfs/dbraw/zinc/29/31/41/433293141.db2.gz SUWNABPKBFQDRA-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637304 433295028 /nfs/dbraw/zinc/29/50/28/433295028.db2.gz SUWNABPKBFQDRA-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637304 433295043 /nfs/dbraw/zinc/29/50/43/433295043.db2.gz SUWNABPKBFQDRA-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637304 433295051 /nfs/dbraw/zinc/29/50/51/433295051.db2.gz SUWNABPKBFQDRA-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637304 433295059 /nfs/dbraw/zinc/29/50/59/433295059.db2.gz SUWNABPKBFQDRA-YPMHNXCESA-N 2 2 314.260 3.305 20 0 DGADLP C[C@H](C[NH2+]Cc1csc(COc2ccccc2)n1)C[NH+](C)C ZINC000291654713 433301600 /nfs/dbraw/zinc/30/16/00/433301600.db2.gz DEPSRQTVZQGHOQ-CQSZACIVSA-N 2 2 319.474 3.009 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931752 433325831 /nfs/dbraw/zinc/32/58/31/433325831.db2.gz GYCDUEYAQZZKJK-QFBILLFUSA-N 2 2 302.462 3.282 20 0 DGADLP CC(C)[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831347 433303894 /nfs/dbraw/zinc/30/38/94/433303894.db2.gz IUSYGPLVZYBERX-LJQANCHMSA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831347 433303903 /nfs/dbraw/zinc/30/39/03/433303903.db2.gz IUSYGPLVZYBERX-LJQANCHMSA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831347 433303914 /nfs/dbraw/zinc/30/39/14/433303914.db2.gz IUSYGPLVZYBERX-LJQANCHMSA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341831347 433303920 /nfs/dbraw/zinc/30/39/20/433303920.db2.gz IUSYGPLVZYBERX-LJQANCHMSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931752 433325838 /nfs/dbraw/zinc/32/58/38/433325838.db2.gz GYCDUEYAQZZKJK-QFBILLFUSA-N 2 2 302.462 3.282 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc(-c3ccccc3)c[nH]1)CCC2 ZINC000447851392 433304349 /nfs/dbraw/zinc/30/43/49/433304349.db2.gz ZUYRPHBQOBIXRT-MRXNPFEDSA-N 2 2 321.428 3.249 20 0 DGADLP CC[N@H+](CC(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341833591 433304979 /nfs/dbraw/zinc/30/49/79/433304979.db2.gz GDDNJPFRXRNSKF-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP CC[N@@H+](CC(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341833591 433304990 /nfs/dbraw/zinc/30/49/90/433304990.db2.gz GDDNJPFRXRNSKF-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP CC[NH+](CC(C)C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341833591 433305000 /nfs/dbraw/zinc/30/50/00/433305000.db2.gz GDDNJPFRXRNSKF-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP CC[NH+](CC(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341833591 433305010 /nfs/dbraw/zinc/30/50/10/433305010.db2.gz GDDNJPFRXRNSKF-LJQANCHMSA-N 2 2 304.478 3.255 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)c(OC)c1 ZINC000299061247 433307823 /nfs/dbraw/zinc/30/78/23/433307823.db2.gz SVTPJYMQVDGQDH-QGZVFWFLSA-N 2 2 315.417 3.046 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)c(OC)c1 ZINC000299061247 433307830 /nfs/dbraw/zinc/30/78/30/433307830.db2.gz SVTPJYMQVDGQDH-QGZVFWFLSA-N 2 2 315.417 3.046 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912849 433308983 /nfs/dbraw/zinc/30/89/83/433308983.db2.gz ACQZBFWQXMEGOG-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912849 433308990 /nfs/dbraw/zinc/30/89/90/433308990.db2.gz ACQZBFWQXMEGOG-APWZRJJASA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914631 433311231 /nfs/dbraw/zinc/31/12/31/433311231.db2.gz CONKBRJVGRCCIC-QGZVFWFLSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@@H]1CCCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420914631 433311237 /nfs/dbraw/zinc/31/12/37/433311237.db2.gz CONKBRJVGRCCIC-QGZVFWFLSA-N 2 2 302.462 3.141 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034126 433353902 /nfs/dbraw/zinc/35/39/02/433353902.db2.gz FZVXVZXKJMGYRA-YJBOKZPZSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448034126 433353911 /nfs/dbraw/zinc/35/39/11/433353911.db2.gz FZVXVZXKJMGYRA-YJBOKZPZSA-N 2 2 304.478 3.336 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414047525 433360223 /nfs/dbraw/zinc/36/02/23/433360223.db2.gz CDOHXTNANDZCAI-INIZCTEOSA-N 2 2 324.472 3.145 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066135 433372771 /nfs/dbraw/zinc/37/27/71/433372771.db2.gz PGLVTSZJEHFQPA-WMZOPIPTSA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066135 433372778 /nfs/dbraw/zinc/37/27/78/433372778.db2.gz PGLVTSZJEHFQPA-WMZOPIPTSA-N 2 2 320.477 3.011 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1)C[NH+](C)C ZINC000425935194 433376948 /nfs/dbraw/zinc/37/69/48/433376948.db2.gz HERMVMLQQFCUKU-RDTXWAMCSA-N 2 2 301.409 3.097 20 0 DGADLP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1C ZINC000361670425 433334664 /nfs/dbraw/zinc/33/46/64/433334664.db2.gz IUPSOHFVJTWBGL-CJNGLKHVSA-N 2 2 315.465 3.253 20 0 DGADLP CC(C)[NH+](CCCNc1cc(C(F)(F)F)cc[nH+]1)C(C)C ZINC000339053667 433335445 /nfs/dbraw/zinc/33/54/45/433335445.db2.gz DTZLNCYYFHWNHR-UHFFFAOYSA-N 2 2 303.372 4.021 20 0 DGADLP CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888324 433340115 /nfs/dbraw/zinc/34/01/15/433340115.db2.gz IXJNAGYLPJHUMZ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888324 433340124 /nfs/dbraw/zinc/34/01/24/433340124.db2.gz IXJNAGYLPJHUMZ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888324 433340130 /nfs/dbraw/zinc/34/01/30/433340130.db2.gz IXJNAGYLPJHUMZ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888324 433340136 /nfs/dbraw/zinc/34/01/36/433340136.db2.gz IXJNAGYLPJHUMZ-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154733 433427505 /nfs/dbraw/zinc/42/75/05/433427505.db2.gz WNWFUHKCVFWLFZ-RDJZCZTQSA-N 2 2 320.477 3.186 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154733 433427515 /nfs/dbraw/zinc/42/75/15/433427515.db2.gz WNWFUHKCVFWLFZ-RDJZCZTQSA-N 2 2 320.477 3.186 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000351228191 433427681 /nfs/dbraw/zinc/42/76/81/433427681.db2.gz GGAWLBBHQASKGT-OBJOEFQTSA-N 2 2 300.406 3.298 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375325377 433433408 /nfs/dbraw/zinc/43/34/08/433433408.db2.gz ZPLXVOOPOZFJMT-INIZCTEOSA-N 2 2 316.493 3.082 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375325377 433433410 /nfs/dbraw/zinc/43/34/10/433433410.db2.gz ZPLXVOOPOZFJMT-INIZCTEOSA-N 2 2 316.493 3.082 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135170 433382176 /nfs/dbraw/zinc/38/21/76/433382176.db2.gz IIFLCNUJIMIMAI-UKRRQHHQSA-N 2 2 307.401 3.205 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135170 433382182 /nfs/dbraw/zinc/38/21/82/433382182.db2.gz IIFLCNUJIMIMAI-UKRRQHHQSA-N 2 2 307.401 3.205 20 0 DGADLP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000354967611 433384494 /nfs/dbraw/zinc/38/44/94/433384494.db2.gz DXVUPAUWFKAXSO-CQSZACIVSA-N 2 2 315.383 3.367 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccn(C)n1 ZINC000414080237 433385313 /nfs/dbraw/zinc/38/53/13/433385313.db2.gz DAUJQTKFYOWIJH-JJRVBVJISA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccn(C)n1 ZINC000414080237 433385323 /nfs/dbraw/zinc/38/53/23/433385323.db2.gz DAUJQTKFYOWIJH-JJRVBVJISA-N 2 2 318.490 3.215 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000448351271 433391975 /nfs/dbraw/zinc/39/19/75/433391975.db2.gz PVWGJACBKVADPI-NJAFHUGGSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000448351271 433391984 /nfs/dbraw/zinc/39/19/84/433391984.db2.gz PVWGJACBKVADPI-NJAFHUGGSA-N 2 2 304.503 3.240 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000421047399 433407707 /nfs/dbraw/zinc/40/77/07/433407707.db2.gz YBKUNUIUGPJVEO-INIZCTEOSA-N 2 2 318.461 3.153 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000421047399 433407709 /nfs/dbraw/zinc/40/77/09/433407709.db2.gz YBKUNUIUGPJVEO-INIZCTEOSA-N 2 2 318.461 3.153 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000421047399 433407714 /nfs/dbraw/zinc/40/77/14/433407714.db2.gz YBKUNUIUGPJVEO-INIZCTEOSA-N 2 2 318.461 3.153 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000421047399 433407718 /nfs/dbraw/zinc/40/77/18/433407718.db2.gz YBKUNUIUGPJVEO-INIZCTEOSA-N 2 2 318.461 3.153 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000361838855 433413020 /nfs/dbraw/zinc/41/30/20/433413020.db2.gz DXIZVYCBTQOWGT-URLQWDBASA-N 2 2 313.445 3.162 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000361838855 433413031 /nfs/dbraw/zinc/41/30/31/433413031.db2.gz DXIZVYCBTQOWGT-URLQWDBASA-N 2 2 313.445 3.162 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000339180259 433420594 /nfs/dbraw/zinc/42/05/94/433420594.db2.gz FHGCZUNGDXECSE-UHFFFAOYSA-N 2 2 301.434 3.085 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000339180259 433420600 /nfs/dbraw/zinc/42/06/00/433420600.db2.gz FHGCZUNGDXECSE-UHFFFAOYSA-N 2 2 301.434 3.085 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CCO)c1ccccc1 ZINC000361876558 433435189 /nfs/dbraw/zinc/43/51/89/433435189.db2.gz FDZCVZGTGHBZSG-JRGCBEDISA-N 2 2 324.468 3.220 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CCO)c1ccccc1 ZINC000361876558 433435198 /nfs/dbraw/zinc/43/51/98/433435198.db2.gz FDZCVZGTGHBZSG-JRGCBEDISA-N 2 2 324.468 3.220 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)o1 ZINC000342087806 433462066 /nfs/dbraw/zinc/46/20/66/433462066.db2.gz PXGMRBPMWHZIAB-AEGPPILISA-N 2 2 317.458 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)o1 ZINC000342087806 433462077 /nfs/dbraw/zinc/46/20/77/433462077.db2.gz PXGMRBPMWHZIAB-AEGPPILISA-N 2 2 317.458 3.271 20 0 DGADLP Cc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301215356 433455861 /nfs/dbraw/zinc/45/58/61/433455861.db2.gz ZROWOSCZALDGQD-MRXNPFEDSA-N 2 2 302.466 3.363 20 0 DGADLP C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)C[NH+]1CCCCC1 ZINC000301223537 433458473 /nfs/dbraw/zinc/45/84/73/433458473.db2.gz DPGIPGVOGVJJGR-MRXNPFEDSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)C[NH+]1CCCCC1 ZINC000301223537 433458482 /nfs/dbraw/zinc/45/84/82/433458482.db2.gz DPGIPGVOGVJJGR-MRXNPFEDSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000268785069 290027566 /nfs/dbraw/zinc/02/75/66/290027566.db2.gz ZQUMRZGEPBALTC-SLEUVZQESA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000268785069 290027568 /nfs/dbraw/zinc/02/75/68/290027568.db2.gz ZQUMRZGEPBALTC-SLEUVZQESA-N 2 2 310.388 3.421 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000342094568 433465018 /nfs/dbraw/zinc/46/50/18/433465018.db2.gz XIGHRUIFJGBMNT-CWRNSKLLSA-N 2 2 307.507 3.291 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000342094568 433465029 /nfs/dbraw/zinc/46/50/29/433465029.db2.gz XIGHRUIFJGBMNT-CWRNSKLLSA-N 2 2 307.507 3.291 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000355108003 433469561 /nfs/dbraw/zinc/46/95/61/433469561.db2.gz DBFBUQTZGXOFDT-RMXPPQQLSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000355108003 433469567 /nfs/dbraw/zinc/46/95/67/433469567.db2.gz DBFBUQTZGXOFDT-RMXPPQQLSA-N 2 2 322.493 3.105 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261566559 290244759 /nfs/dbraw/zinc/24/47/59/290244759.db2.gz IHOLTHJXJWDIHG-ZLDLUXBVSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261566559 290244764 /nfs/dbraw/zinc/24/47/64/290244764.db2.gz IHOLTHJXJWDIHG-ZLDLUXBVSA-N 2 2 309.251 3.194 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000361980153 433478658 /nfs/dbraw/zinc/47/86/58/433478658.db2.gz HRDRTLLOXFLPRV-FHLIZLRMSA-N 2 2 300.446 3.281 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000361980153 433478664 /nfs/dbraw/zinc/47/86/64/433478664.db2.gz HRDRTLLOXFLPRV-FHLIZLRMSA-N 2 2 300.446 3.281 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000361980239 433479459 /nfs/dbraw/zinc/47/94/59/433479459.db2.gz ISPSNBIPLWBQNV-GDZNZVCISA-N 2 2 305.441 3.025 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000361980239 433479469 /nfs/dbraw/zinc/47/94/69/433479469.db2.gz ISPSNBIPLWBQNV-GDZNZVCISA-N 2 2 305.441 3.025 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351342925 433480381 /nfs/dbraw/zinc/48/03/81/433480381.db2.gz SNTNWLSISLKDFR-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351342925 433480386 /nfs/dbraw/zinc/48/03/86/433480386.db2.gz SNTNWLSISLKDFR-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351342925 433480397 /nfs/dbraw/zinc/48/03/97/433480397.db2.gz SNTNWLSISLKDFR-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351342925 433480401 /nfs/dbraw/zinc/48/04/01/433480401.db2.gz SNTNWLSISLKDFR-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP C[C@H](CNc1cc[nH+]c2ccc(Cl)cc12)C[NH+]1CCOCC1 ZINC000301343385 433514944 /nfs/dbraw/zinc/51/49/44/433514944.db2.gz FVROWOMCPJWWOG-CYBMUJFWSA-N 2 2 319.836 3.268 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)CC(F)(F)F ZINC000414291179 433515414 /nfs/dbraw/zinc/51/54/14/433515414.db2.gz XNOKXSJWDIIUBI-ZDUSSCGKSA-N 2 2 315.383 3.224 20 0 DGADLP CCc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000301353464 433517054 /nfs/dbraw/zinc/51/70/54/433517054.db2.gz NRWZPJUGUUKCGN-OAHLLOKOSA-N 2 2 300.406 3.189 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000282173308 433519925 /nfs/dbraw/zinc/51/99/25/433519925.db2.gz MJNZXPUWLCQYCM-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@@H]12 ZINC000351480143 433522241 /nfs/dbraw/zinc/52/22/41/433522241.db2.gz TYTHRFLRMXOZFO-CYZMBNFOSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@@H]12 ZINC000351480143 433522256 /nfs/dbraw/zinc/52/22/56/433522256.db2.gz TYTHRFLRMXOZFO-CYZMBNFOSA-N 2 2 305.472 3.041 20 0 DGADLP c1cc(O[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)cc[nH+]1 ZINC000351473440 433522581 /nfs/dbraw/zinc/52/25/81/433522581.db2.gz UMELYCYGMRIZSS-IBGZPJMESA-N 2 2 324.424 3.102 20 0 DGADLP c1cc(O[C@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)cc[nH+]1 ZINC000351473440 433522597 /nfs/dbraw/zinc/52/25/97/433522597.db2.gz UMELYCYGMRIZSS-IBGZPJMESA-N 2 2 324.424 3.102 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000414298177 433523619 /nfs/dbraw/zinc/52/36/19/433523619.db2.gz GTKJBSNWKWSUJQ-BQFCYCMXSA-N 2 2 302.462 3.054 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000414298177 433523630 /nfs/dbraw/zinc/52/36/30/433523630.db2.gz GTKJBSNWKWSUJQ-BQFCYCMXSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381510 433524386 /nfs/dbraw/zinc/52/43/86/433524386.db2.gz WWCIAJXUFFYZAX-SJLPKXTDSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381510 433524392 /nfs/dbraw/zinc/52/43/92/433524392.db2.gz WWCIAJXUFFYZAX-SJLPKXTDSA-N 2 2 302.462 3.107 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)n1C ZINC000414302723 433528741 /nfs/dbraw/zinc/52/87/41/433528741.db2.gz BRJTZWGHVFEOFX-UHFFFAOYSA-N 2 2 320.868 3.207 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500861 433535500 /nfs/dbraw/zinc/53/55/00/433535500.db2.gz XRMIXQKTYJMOQN-MROQNXINSA-N 2 2 320.387 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500861 433535509 /nfs/dbraw/zinc/53/55/09/433535509.db2.gz XRMIXQKTYJMOQN-MROQNXINSA-N 2 2 320.387 3.162 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCC2(O)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000421390506 433536914 /nfs/dbraw/zinc/53/69/14/433536914.db2.gz SKYMFVMXZRAJDY-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCC2(O)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421390506 433536923 /nfs/dbraw/zinc/53/69/23/433536923.db2.gz SKYMFVMXZRAJDY-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP CCc1ncc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000414315980 433537430 /nfs/dbraw/zinc/53/74/30/433537430.db2.gz HDSYYUCMVDWTEJ-IBGZPJMESA-N 2 2 324.472 3.274 20 0 DGADLP COc1ccc(C[NH2+]CCc2cc[nH+]cc2C)c(C)c1OC ZINC000342133092 433489139 /nfs/dbraw/zinc/48/91/39/433489139.db2.gz DTTPLKKNSYBTBF-UHFFFAOYSA-N 2 2 300.402 3.048 20 0 DGADLP CCCc1csc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000426411409 433492617 /nfs/dbraw/zinc/49/26/17/433492617.db2.gz PKLDADARZMNDBP-HNNXBMFYSA-N 2 2 304.463 3.265 20 0 DGADLP CCCc1csc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000426411409 433492628 /nfs/dbraw/zinc/49/26/28/433492628.db2.gz PKLDADARZMNDBP-HNNXBMFYSA-N 2 2 304.463 3.265 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000355165841 433501870 /nfs/dbraw/zinc/50/18/70/433501870.db2.gz QJAGEIFCNPZGPQ-KOHRHEQBSA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000355165841 433501878 /nfs/dbraw/zinc/50/18/78/433501878.db2.gz QJAGEIFCNPZGPQ-KOHRHEQBSA-N 2 2 324.509 3.208 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000414270424 433502863 /nfs/dbraw/zinc/50/28/63/433502863.db2.gz PWPZHLSROVKIPR-QGZVFWFLSA-N 2 2 300.450 3.016 20 0 DGADLP C[C@@H](C1CC1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742138 433550763 /nfs/dbraw/zinc/55/07/63/433550763.db2.gz HPZUVKKDSNZUQK-LPHOPBHVSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](C1CC1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742138 433550769 /nfs/dbraw/zinc/55/07/69/433550769.db2.gz HPZUVKKDSNZUQK-LPHOPBHVSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](C1CC1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375742138 433550777 /nfs/dbraw/zinc/55/07/77/433550777.db2.gz HPZUVKKDSNZUQK-LPHOPBHVSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](C1CC1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375742138 433550783 /nfs/dbraw/zinc/55/07/83/433550783.db2.gz HPZUVKKDSNZUQK-LPHOPBHVSA-N 2 2 302.462 3.008 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)Cc2ccccc2Cl)n1C ZINC000414338139 433551600 /nfs/dbraw/zinc/55/16/00/433551600.db2.gz RGPUGXZJKDYQRA-UHFFFAOYSA-N 2 2 320.868 3.250 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000339389605 433555642 /nfs/dbraw/zinc/55/56/42/433555642.db2.gz HKQLRVSEEGKERY-HOTGVXAUSA-N 2 2 314.433 3.453 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000339389605 433555652 /nfs/dbraw/zinc/55/56/52/433555652.db2.gz HKQLRVSEEGKERY-HOTGVXAUSA-N 2 2 314.433 3.453 20 0 DGADLP CCOc1ccccc1[C@@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414343226 433556117 /nfs/dbraw/zinc/55/61/17/433556117.db2.gz NCAPSQNPQJUDLG-MRXNPFEDSA-N 2 2 316.449 3.126 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538427 433558440 /nfs/dbraw/zinc/55/84/40/433558440.db2.gz RBZYTWRUSCTLTP-ACJLOTCBSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538427 433558445 /nfs/dbraw/zinc/55/84/45/433558445.db2.gz RBZYTWRUSCTLTP-ACJLOTCBSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351538427 433558452 /nfs/dbraw/zinc/55/84/52/433558452.db2.gz RBZYTWRUSCTLTP-ACJLOTCBSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538427 433558459 /nfs/dbraw/zinc/55/84/59/433558459.db2.gz RBZYTWRUSCTLTP-ACJLOTCBSA-N 2 2 322.880 3.321 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000339398524 433559399 /nfs/dbraw/zinc/55/93/99/433559399.db2.gz VQOPGEULZNXAGX-XJKSGUPXSA-N 2 2 314.433 3.235 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000339398524 433559406 /nfs/dbraw/zinc/55/94/06/433559406.db2.gz VQOPGEULZNXAGX-XJKSGUPXSA-N 2 2 314.433 3.235 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc(F)ccc1F ZINC000414362561 433572832 /nfs/dbraw/zinc/57/28/32/433572832.db2.gz VVJKFVHGHRTWLL-HNNXBMFYSA-N 2 2 308.376 3.005 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000282340936 433573474 /nfs/dbraw/zinc/57/34/74/433573474.db2.gz VGODMFYUFZCBTM-RDJZCZTQSA-N 2 2 317.408 3.306 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339445738 433592290 /nfs/dbraw/zinc/59/22/90/433592290.db2.gz ZNUXZBPGURFYNI-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000339445738 433592301 /nfs/dbraw/zinc/59/23/01/433592301.db2.gz ZNUXZBPGURFYNI-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326607 433545548 /nfs/dbraw/zinc/54/55/48/433545548.db2.gz ASSMSILLFBJMAL-NRSFXHEJSA-N 2 2 311.429 3.031 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326607 433545557 /nfs/dbraw/zinc/54/55/57/433545557.db2.gz ASSMSILLFBJMAL-NRSFXHEJSA-N 2 2 311.429 3.031 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CC1 ZINC000125047037 292838467 /nfs/dbraw/zinc/83/84/67/292838467.db2.gz NTQNOGXIGTXEHG-RTBURBONSA-N 2 2 302.462 3.147 20 0 DGADLP CC[NH+](CC)CCN(Cc1c[nH+]c2ccccn12)CC(C)C ZINC000351643225 433633775 /nfs/dbraw/zinc/63/37/75/433633775.db2.gz BMIBZCMAOOPLTC-UHFFFAOYSA-N 2 2 302.466 3.134 20 0 DGADLP COCC1(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000339456652 433596897 /nfs/dbraw/zinc/59/68/97/433596897.db2.gz ADMDHKKCXOMXLK-UHFFFAOYSA-N 2 2 322.415 3.200 20 0 DGADLP FC(F)(F)C1CC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000342307538 433606549 /nfs/dbraw/zinc/60/65/49/433606549.db2.gz RUJZAYMQIPHAKY-UHFFFAOYSA-N 2 2 301.337 3.364 20 0 DGADLP Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000342316683 433612841 /nfs/dbraw/zinc/61/28/41/433612841.db2.gz ZUDZBVYVDZSUIX-IBGZPJMESA-N 2 2 314.477 3.309 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(OC(F)F)cc1C ZINC000427112264 433657270 /nfs/dbraw/zinc/65/72/70/433657270.db2.gz AXGWMQLKJSXQPW-DZGCQCFKSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(OC(F)F)cc1C ZINC000427112264 433657282 /nfs/dbraw/zinc/65/72/82/433657282.db2.gz AXGWMQLKJSXQPW-DZGCQCFKSA-N 2 2 310.388 3.089 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccnn2C2CCCC2)CC1 ZINC000449013845 433657779 /nfs/dbraw/zinc/65/77/79/433657779.db2.gz FRZBYPMBQXVGFV-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnn2C2CCCC2)CC1 ZINC000449013845 433657787 /nfs/dbraw/zinc/65/77/87/433657787.db2.gz FRZBYPMBQXVGFV-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP CC[NH+]1CCN(Cc2ccc(CNc3cc(C)cc[nH+]3)cc2)CC1 ZINC000301658857 433660384 /nfs/dbraw/zinc/66/03/84/433660384.db2.gz WLWUKQRVNSRLGJ-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP CCN1CC[NH+](Cc2ccc(CNc3cc(C)cc[nH+]3)cc2)CC1 ZINC000301658857 433660404 /nfs/dbraw/zinc/66/04/04/433660404.db2.gz WLWUKQRVNSRLGJ-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376094710 433662363 /nfs/dbraw/zinc/66/23/63/433662363.db2.gz LRGDOVJQUFBTIW-GOSISDBHSA-N 3 2 312.461 3.097 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376094710 433662376 /nfs/dbraw/zinc/66/23/76/433662376.db2.gz LRGDOVJQUFBTIW-GOSISDBHSA-N 3 2 312.461 3.097 20 0 DGADLP C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000351685913 433664573 /nfs/dbraw/zinc/66/45/73/433664573.db2.gz HTZHHRLVWCJKGP-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP C[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000351685913 433664579 /nfs/dbraw/zinc/66/45/79/433664579.db2.gz HTZHHRLVWCJKGP-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351685913 433664582 /nfs/dbraw/zinc/66/45/82/433664582.db2.gz HTZHHRLVWCJKGP-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351685913 433664590 /nfs/dbraw/zinc/66/45/90/433664590.db2.gz HTZHHRLVWCJKGP-OAHLLOKOSA-N 2 2 305.466 3.033 20 0 DGADLP CO[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000283104868 433665659 /nfs/dbraw/zinc/66/56/59/433665659.db2.gz MAYHANLTJROQEE-INIZCTEOSA-N 2 2 307.825 3.246 20 0 DGADLP CO[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000283104868 433665667 /nfs/dbraw/zinc/66/56/67/433665667.db2.gz MAYHANLTJROQEE-INIZCTEOSA-N 2 2 307.825 3.246 20 0 DGADLP Cc1cccc([C@@H](CNc2cc(C)cc[nH+]2)[NH+]2CCOCC2)c1 ZINC000301664640 433666414 /nfs/dbraw/zinc/66/64/14/433666414.db2.gz ZIKNJACUWDXLHJ-GOSISDBHSA-N 2 2 311.429 3.184 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000351687657 433667588 /nfs/dbraw/zinc/66/75/88/433667588.db2.gz PSJNWILBCMAPOI-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000351687657 433667597 /nfs/dbraw/zinc/66/75/97/433667597.db2.gz PSJNWILBCMAPOI-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000351687657 433667605 /nfs/dbraw/zinc/66/76/05/433667605.db2.gz PSJNWILBCMAPOI-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000351687657 433667611 /nfs/dbraw/zinc/66/76/11/433667611.db2.gz PSJNWILBCMAPOI-KRWDZBQOSA-N 2 2 313.445 3.039 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc4ccoc43)CC2)c1 ZINC000449016094 433668660 /nfs/dbraw/zinc/66/86/60/433668660.db2.gz MNCHXFZUNJIVTF-UHFFFAOYSA-N 2 2 307.397 3.458 20 0 DGADLP Cc1nc(NCc2[nH+]ccn2CCc2ccccc2)c(C)c(C)[nH+]1 ZINC000301672405 433668711 /nfs/dbraw/zinc/66/87/11/433668711.db2.gz OWFWXMBZKANOKB-UHFFFAOYSA-N 2 2 321.428 3.453 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000283129277 433672174 /nfs/dbraw/zinc/67/21/74/433672174.db2.gz ZOSPCCQQQALLMF-LJQANCHMSA-N 2 2 309.457 3.472 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000283129277 433672185 /nfs/dbraw/zinc/67/21/85/433672185.db2.gz ZOSPCCQQQALLMF-LJQANCHMSA-N 2 2 309.457 3.472 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414517250 433679672 /nfs/dbraw/zinc/67/96/72/433679672.db2.gz QJNSZFGDKNGFJS-JOMPHRNESA-N 2 2 316.489 3.300 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000414517250 433679680 /nfs/dbraw/zinc/67/96/80/433679680.db2.gz QJNSZFGDKNGFJS-JOMPHRNESA-N 2 2 316.489 3.300 20 0 DGADLP Cc1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301694533 433684148 /nfs/dbraw/zinc/68/41/48/433684148.db2.gz ZYSITTJGJPJLJP-IYBDPMFKSA-N 2 2 320.481 3.210 20 0 DGADLP Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301694533 433684158 /nfs/dbraw/zinc/68/41/58/433684158.db2.gz ZYSITTJGJPJLJP-IYBDPMFKSA-N 2 2 320.481 3.210 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449032725 433689950 /nfs/dbraw/zinc/68/99/50/433689950.db2.gz AXGJBZPJRDGNSW-CYBMUJFWSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449032725 433689961 /nfs/dbraw/zinc/68/99/61/433689961.db2.gz AXGJBZPJRDGNSW-CYBMUJFWSA-N 2 2 319.449 3.333 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366943564 293006957 /nfs/dbraw/zinc/00/69/57/293006957.db2.gz LNPHVLOISLZGHF-RTBURBONSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366943564 293006958 /nfs/dbraw/zinc/00/69/58/293006958.db2.gz LNPHVLOISLZGHF-RTBURBONSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1nc(CC[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000362402754 433696348 /nfs/dbraw/zinc/69/63/48/433696348.db2.gz RFNMDDRIFMWNIM-INIZCTEOSA-N 2 2 316.474 3.274 20 0 DGADLP Cc1nc(CC[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cs1 ZINC000362402754 433696358 /nfs/dbraw/zinc/69/63/58/433696358.db2.gz RFNMDDRIFMWNIM-INIZCTEOSA-N 2 2 316.474 3.274 20 0 DGADLP COc1ccc(Cl)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000367218079 293040204 /nfs/dbraw/zinc/04/02/04/293040204.db2.gz PVMCRMCPPBFCMJ-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000367218079 293040207 /nfs/dbraw/zinc/04/02/07/293040207.db2.gz PVMCRMCPPBFCMJ-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(Cl)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000367218079 293040208 /nfs/dbraw/zinc/04/02/08/293040208.db2.gz PVMCRMCPPBFCMJ-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP COc1ccc(Cl)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000367218079 293040211 /nfs/dbraw/zinc/04/02/11/293040211.db2.gz PVMCRMCPPBFCMJ-YIONKMFJSA-N 2 2 308.853 3.406 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367259641 293044837 /nfs/dbraw/zinc/04/48/37/293044837.db2.gz JDPCPTIFQPRTPF-RBUKOAKNSA-N 2 2 316.489 3.401 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367683648 293090844 /nfs/dbraw/zinc/09/08/44/293090844.db2.gz JCFMZVWNNZBMCB-ROUUACIJSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367683648 293090845 /nfs/dbraw/zinc/09/08/45/293090845.db2.gz JCFMZVWNNZBMCB-ROUUACIJSA-N 2 2 302.462 3.461 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000368192615 293101604 /nfs/dbraw/zinc/10/16/04/293101604.db2.gz HDMPHFZYEZAWTJ-NSHDSACASA-N 2 2 311.216 3.111 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000368192615 293101606 /nfs/dbraw/zinc/10/16/06/293101606.db2.gz HDMPHFZYEZAWTJ-NSHDSACASA-N 2 2 311.216 3.111 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CSC[C@@H]3C)c(C)c2)CC1 ZINC000449040773 433700684 /nfs/dbraw/zinc/70/06/84/433700684.db2.gz JVZALYFNDZIQEN-MAUKXSAKSA-N 2 2 319.518 3.300 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nccn2C(C)C)[nH+]1 ZINC000369898690 293145041 /nfs/dbraw/zinc/14/50/41/293145041.db2.gz AOFADZGYXXGZHI-MRXNPFEDSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)[nH+]1 ZINC000369898690 293145045 /nfs/dbraw/zinc/14/50/45/293145045.db2.gz AOFADZGYXXGZHI-MRXNPFEDSA-N 2 2 313.449 3.244 20 0 DGADLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000370268524 293167355 /nfs/dbraw/zinc/16/73/55/293167355.db2.gz YUPXZZMVPKORRA-CQSZACIVSA-N 2 2 305.470 3.048 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)[nH+]1 ZINC000371581296 293213458 /nfs/dbraw/zinc/21/34/58/293213458.db2.gz QJXWIEOGSBYCDD-QGZVFWFLSA-N 2 2 317.396 3.131 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)[nH+]1 ZINC000371581296 293213461 /nfs/dbraw/zinc/21/34/61/293213461.db2.gz QJXWIEOGSBYCDD-QGZVFWFLSA-N 2 2 317.396 3.131 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000372055359 293226574 /nfs/dbraw/zinc/22/65/74/293226574.db2.gz BJFUSRCSHRNOJY-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000372055359 293226576 /nfs/dbraw/zinc/22/65/76/293226576.db2.gz BJFUSRCSHRNOJY-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c2cc(F)ccc2[nH+]1 ZINC000372305343 293232268 /nfs/dbraw/zinc/23/22/68/293232268.db2.gz PDBAVKTUBJNVKN-ZDUSSCGKSA-N 2 2 310.376 3.410 20 0 DGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000373351406 293264405 /nfs/dbraw/zinc/26/44/05/293264405.db2.gz BHZUICMSDURFNF-DNVCBOLYSA-N 2 2 322.412 3.133 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000339661054 433711193 /nfs/dbraw/zinc/71/11/93/433711193.db2.gz NSZWTVAZYRJUSU-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC000339661054 433711206 /nfs/dbraw/zinc/71/12/06/433711206.db2.gz NSZWTVAZYRJUSU-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnc(C)nc1 ZINC000339660592 433711577 /nfs/dbraw/zinc/71/15/77/433711577.db2.gz ICTVBVOSJPOZIG-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnc(C)nc1 ZINC000339660592 433711590 /nfs/dbraw/zinc/71/15/90/433711590.db2.gz ICTVBVOSJPOZIG-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050830 433712287 /nfs/dbraw/zinc/71/22/87/433712287.db2.gz VYKOKNYORXHPCR-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050830 433712297 /nfs/dbraw/zinc/71/22/97/433712297.db2.gz VYKOKNYORXHPCR-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000449050830 433712306 /nfs/dbraw/zinc/71/23/06/433712306.db2.gz VYKOKNYORXHPCR-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000449050830 433712313 /nfs/dbraw/zinc/71/23/13/433712313.db2.gz VYKOKNYORXHPCR-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000373852343 293323609 /nfs/dbraw/zinc/32/36/09/293323609.db2.gz AOKNNKVUQCJCJE-IRXDYDNUSA-N 2 2 318.509 3.300 20 0 DGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000356831862 433719459 /nfs/dbraw/zinc/71/94/59/433719459.db2.gz BFBNIHILLSVCCG-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ncc(Br)s1 ZINC000339683257 433729227 /nfs/dbraw/zinc/72/92/27/433729227.db2.gz XDVYNDYMSWVSNN-UTLUCORTSA-N 2 2 318.284 3.039 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ncc(Br)s1 ZINC000339683257 433729233 /nfs/dbraw/zinc/72/92/33/433729233.db2.gz XDVYNDYMSWVSNN-UTLUCORTSA-N 2 2 318.284 3.039 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]3c3ccco3)sc2C1 ZINC000414593278 433740423 /nfs/dbraw/zinc/74/04/23/433740423.db2.gz QUKNXEQSRCNYHH-TZMCWYRMSA-N 2 2 317.458 3.148 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]3c3ccco3)sc2C1 ZINC000414593278 433740433 /nfs/dbraw/zinc/74/04/33/433740433.db2.gz QUKNXEQSRCNYHH-TZMCWYRMSA-N 2 2 317.458 3.148 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc(-c2[nH+]c(C3CC3)n3ccccc23)n1 ZINC000414613814 433746279 /nfs/dbraw/zinc/74/62/79/433746279.db2.gz GJBBLCOQMKUGMZ-LBPRGKRZSA-N 2 2 311.389 3.308 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C2CCC2)cc1 ZINC000427707725 433748677 /nfs/dbraw/zinc/74/86/77/433748677.db2.gz RVKYSLCUBKCQSV-PXNSSMCTSA-N 2 2 316.489 3.394 20 0 DGADLP Clc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427898518 433749063 /nfs/dbraw/zinc/74/90/63/433749063.db2.gz TUGNCJZEGMJRHW-SWLSCSKDSA-N 2 2 317.820 3.355 20 0 DGADLP Clc1ccc(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000427880892 433749502 /nfs/dbraw/zinc/74/95/02/433749502.db2.gz XNEQFKPLGUIPIO-OGVSOVDVSA-N 2 2 301.821 3.387 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1[nH+]c2ccccc2n1C ZINC000342707616 433749765 /nfs/dbraw/zinc/74/97/65/433749765.db2.gz HGUYGIKZBSTGNR-HNNXBMFYSA-N 2 2 300.450 3.640 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1[nH+]c2ccccc2n1C ZINC000342707616 433749772 /nfs/dbraw/zinc/74/97/72/433749772.db2.gz HGUYGIKZBSTGNR-HNNXBMFYSA-N 2 2 300.450 3.640 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421822762 433749874 /nfs/dbraw/zinc/74/98/74/433749874.db2.gz BHQJLPMIEAYUEW-LJQANCHMSA-N 2 2 309.457 3.051 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCc2cccnc2CC1)Cc1ccccc1 ZINC000421822762 433749881 /nfs/dbraw/zinc/74/98/81/433749881.db2.gz BHQJLPMIEAYUEW-LJQANCHMSA-N 2 2 309.457 3.051 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000342792014 433756214 /nfs/dbraw/zinc/75/62/14/433756214.db2.gz GDCPTDGFPIBVNH-RDJZCZTQSA-N 2 2 324.509 3.208 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449630617 433758457 /nfs/dbraw/zinc/75/84/57/433758457.db2.gz NJAIWBWMFCTILR-SFUIVIKGSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449630617 433758469 /nfs/dbraw/zinc/75/84/69/433758469.db2.gz NJAIWBWMFCTILR-SFUIVIKGSA-N 2 2 302.462 3.225 20 0 DGADLP CC[C@H](c1nc(C2([NH3+])CCCC2)no1)[N@H+](C)Cc1ccccc1 ZINC000414632234 433760898 /nfs/dbraw/zinc/76/08/98/433760898.db2.gz ZGOMCIMCTCNZCU-OAHLLOKOSA-N 2 2 314.433 3.381 20 0 DGADLP CC[C@H](c1nc(C2([NH3+])CCCC2)no1)[N@@H+](C)Cc1ccccc1 ZINC000414632234 433760910 /nfs/dbraw/zinc/76/09/10/433760910.db2.gz ZGOMCIMCTCNZCU-OAHLLOKOSA-N 2 2 314.433 3.381 20 0 DGADLP CC(C)c1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301864228 433766562 /nfs/dbraw/zinc/76/65/62/433766562.db2.gz MJOYNOQBVKAZTI-CABCVRRESA-N 2 2 320.481 3.245 20 0 DGADLP CC(C)c1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301864231 433766903 /nfs/dbraw/zinc/76/69/03/433766903.db2.gz MJOYNOQBVKAZTI-GJZGRUSLSA-N 2 2 320.481 3.245 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878028 433767105 /nfs/dbraw/zinc/76/71/05/433767105.db2.gz QXMNJBXEUCEEGO-HDICACEKSA-N 2 2 301.478 3.072 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878028 433767113 /nfs/dbraw/zinc/76/71/13/433767113.db2.gz QXMNJBXEUCEEGO-HDICACEKSA-N 2 2 301.478 3.072 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H](C[NH3+])C1 ZINC000414769929 433824117 /nfs/dbraw/zinc/82/41/17/433824117.db2.gz OFZMFPWSZSNVAI-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@@H](C[NH3+])C1 ZINC000414769929 433824127 /nfs/dbraw/zinc/82/41/27/433824127.db2.gz OFZMFPWSZSNVAI-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414661747 433775625 /nfs/dbraw/zinc/77/56/25/433775625.db2.gz XUFNFVJVEAZUMO-INIZCTEOSA-N 2 2 316.832 3.452 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000414661747 433775635 /nfs/dbraw/zinc/77/56/35/433775635.db2.gz XUFNFVJVEAZUMO-INIZCTEOSA-N 2 2 316.832 3.452 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656834 433775678 /nfs/dbraw/zinc/77/56/78/433775678.db2.gz NOCSMJIKNBEATD-ZLHKHBAESA-N 2 2 308.425 3.312 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414656834 433775688 /nfs/dbraw/zinc/77/56/88/433775688.db2.gz NOCSMJIKNBEATD-ZLHKHBAESA-N 2 2 308.425 3.312 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000449765013 433779535 /nfs/dbraw/zinc/77/95/35/433779535.db2.gz FTSIKWGYGNBMBO-IKGGRYGDSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000301887100 433780621 /nfs/dbraw/zinc/78/06/21/433780621.db2.gz PKJJYVRIOYYEFE-CQSZACIVSA-N 2 2 306.413 3.422 20 0 DGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000301887100 433780637 /nfs/dbraw/zinc/78/06/37/433780637.db2.gz PKJJYVRIOYYEFE-CQSZACIVSA-N 2 2 306.413 3.422 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000293582005 433793298 /nfs/dbraw/zinc/79/32/98/433793298.db2.gz HUROEKLMXRJYBB-SFHVURJKSA-N 2 2 313.445 3.067 20 0 DGADLP Cc1ccncc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786435 433796605 /nfs/dbraw/zinc/79/66/05/433796605.db2.gz NUNQSPKFMHZOHK-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1ccncc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786435 433796617 /nfs/dbraw/zinc/79/66/17/433796617.db2.gz NUNQSPKFMHZOHK-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP COC1(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000449787339 433800356 /nfs/dbraw/zinc/80/03/56/433800356.db2.gz UTTCCHGUUYNHCN-UHFFFAOYSA-N 2 2 322.415 3.294 20 0 DGADLP COC1(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000449787339 433800365 /nfs/dbraw/zinc/80/03/65/433800365.db2.gz UTTCCHGUUYNHCN-UHFFFAOYSA-N 2 2 322.415 3.294 20 0 DGADLP COc1ccc2[nH+]c(C)nc(N[C@H](C)C(C)(C)C[NH+](C)C)c2c1 ZINC000301941748 433803219 /nfs/dbraw/zinc/80/32/19/433803219.db2.gz XABJQGZBPODLPR-GFCCVEGCSA-N 2 2 316.449 3.335 20 0 DGADLP Cc1cc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc(C)[nH+]1 ZINC000421914101 433806075 /nfs/dbraw/zinc/80/60/75/433806075.db2.gz GCOXYLGHQCBZPA-UHFFFAOYSA-N 2 2 323.440 3.224 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342490 433808376 /nfs/dbraw/zinc/80/83/76/433808376.db2.gz UUQBNAKLRKEPMU-MJGOQNOKSA-N 2 2 314.473 3.463 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342490 433808383 /nfs/dbraw/zinc/80/83/83/433808383.db2.gz UUQBNAKLRKEPMU-MJGOQNOKSA-N 2 2 314.473 3.463 20 0 DGADLP C[C@H]1c2cccc(Br)c2CC[N@H+]1CCn1cc[nH+]c1 ZINC000351946099 433813486 /nfs/dbraw/zinc/81/34/86/433813486.db2.gz XQVKAHPAWXWUAO-LBPRGKRZSA-N 2 2 320.234 3.265 20 0 DGADLP C[C@H]1c2cccc(Br)c2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000351946099 433813491 /nfs/dbraw/zinc/81/34/91/433813491.db2.gz XQVKAHPAWXWUAO-LBPRGKRZSA-N 2 2 320.234 3.265 20 0 DGADLP CCn1nc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c2ccccc21 ZINC000414835152 433874192 /nfs/dbraw/zinc/87/41/92/433874192.db2.gz HEDLGGAWSNWLSC-MRXNPFEDSA-N 2 2 300.450 3.053 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OCC ZINC000414837687 433874419 /nfs/dbraw/zinc/87/44/19/433874419.db2.gz UXGGYINOIYWMTN-KRWDZBQOSA-N 2 2 314.429 3.274 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)c1ccccc1 ZINC000414836517 433875252 /nfs/dbraw/zinc/87/52/52/433875252.db2.gz STRPWVZFLKJBOE-GOSISDBHSA-N 2 2 313.420 3.216 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H](C[NH3+])C1 ZINC000414769928 433825864 /nfs/dbraw/zinc/82/58/64/433825864.db2.gz OFZMFPWSZSNVAI-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H](C[NH3+])C1 ZINC000414769928 433825874 /nfs/dbraw/zinc/82/58/74/433825874.db2.gz OFZMFPWSZSNVAI-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414773121 433826423 /nfs/dbraw/zinc/82/64/23/433826423.db2.gz WGXLSOWBMHXQTM-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414773121 433826431 /nfs/dbraw/zinc/82/64/31/433826431.db2.gz WGXLSOWBMHXQTM-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP Fc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)s2)c1 ZINC000414781828 433831493 /nfs/dbraw/zinc/83/14/93/433831493.db2.gz DKOGSKLEWITHRU-CJNGLKHVSA-N 2 2 302.418 3.348 20 0 DGADLP Fc1cccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)s2)c1 ZINC000414781828 433831499 /nfs/dbraw/zinc/83/14/99/433831499.db2.gz DKOGSKLEWITHRU-CJNGLKHVSA-N 2 2 302.418 3.348 20 0 DGADLP C[N@H+](Cc1csc(-c2ccc(Cl)cc2)n1)C1CC([NH3+])C1 ZINC000414777799 433831545 /nfs/dbraw/zinc/83/15/45/433831545.db2.gz OWZMRHALNISRIP-UHFFFAOYSA-N 2 2 307.850 3.385 20 0 DGADLP C[N@@H+](Cc1csc(-c2ccc(Cl)cc2)n1)C1CC([NH3+])C1 ZINC000414777799 433831555 /nfs/dbraw/zinc/83/15/55/433831555.db2.gz OWZMRHALNISRIP-UHFFFAOYSA-N 2 2 307.850 3.385 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000414844639 433877494 /nfs/dbraw/zinc/87/74/94/433877494.db2.gz LAHRWOYJOFWYDM-QGZVFWFLSA-N 2 2 322.456 3.486 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414784763 433834012 /nfs/dbraw/zinc/83/40/12/433834012.db2.gz LFMNZUGRXBIDSL-QMTHXVAHSA-N 2 2 324.350 3.017 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414784763 433834023 /nfs/dbraw/zinc/83/40/23/433834023.db2.gz LFMNZUGRXBIDSL-QMTHXVAHSA-N 2 2 324.350 3.017 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000351996614 433846087 /nfs/dbraw/zinc/84/60/87/433846087.db2.gz PXUPTIWUPXLHDB-UHFFFAOYSA-N 2 2 301.887 3.350 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000414840655 433878087 /nfs/dbraw/zinc/87/80/87/433878087.db2.gz MPYHTELCEGSOBV-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Br)c(OC)s1 ZINC000414816724 433859421 /nfs/dbraw/zinc/85/94/21/433859421.db2.gz QHNMMFMYIVZMCF-SECBINFHSA-N 2 2 321.284 3.126 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211260 433861228 /nfs/dbraw/zinc/86/12/28/433861228.db2.gz TUUWMUUXWBIQGZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211260 433861232 /nfs/dbraw/zinc/86/12/32/433861232.db2.gz TUUWMUUXWBIQGZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211260 433861244 /nfs/dbraw/zinc/86/12/44/433861244.db2.gz TUUWMUUXWBIQGZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC4(CCC4)C3)C2)cc1 ZINC000284211260 433861251 /nfs/dbraw/zinc/86/12/51/433861251.db2.gz TUUWMUUXWBIQGZ-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H](C[NH3+])C3CCCCC3)sc2c1 ZINC000414830763 433867969 /nfs/dbraw/zinc/86/79/69/433867969.db2.gz BNTZXJCVQYRXOM-OAHLLOKOSA-N 2 2 319.474 3.302 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284246914 433868036 /nfs/dbraw/zinc/86/80/36/433868036.db2.gz WANSWXVSMZLRLK-ZFWWWQNUSA-N 2 2 323.400 3.400 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284246914 433868044 /nfs/dbraw/zinc/86/80/44/433868044.db2.gz WANSWXVSMZLRLK-ZFWWWQNUSA-N 2 2 323.400 3.400 20 0 DGADLP COc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1OC(C)C ZINC000414840559 433872696 /nfs/dbraw/zinc/87/26/96/433872696.db2.gz XGKJEPCHOXHYRC-QGZVFWFLSA-N 2 2 314.429 3.272 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2sccc2C)cc1 ZINC000414884326 433901269 /nfs/dbraw/zinc/90/12/69/433901269.db2.gz NROJDMPJLLIIPH-DLBZAZTESA-N 2 2 316.470 3.300 20 0 DGADLP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000345232030 433904566 /nfs/dbraw/zinc/90/45/66/433904566.db2.gz DVEJGAPNNDVYOJ-IBGZPJMESA-N 2 2 324.472 3.979 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccccc2F)cc1 ZINC000414894594 433905364 /nfs/dbraw/zinc/90/53/64/433905364.db2.gz ZPJZZESKRONHIX-IEBWSBKVSA-N 2 2 314.404 3.070 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414892900 433905480 /nfs/dbraw/zinc/90/54/80/433905480.db2.gz JSFJDGAESIPCRS-RTBURBONSA-N 2 2 314.404 3.070 20 0 DGADLP c1ccc(CCCOc2cccc(C[NH2+][C@H]3CC[NH2+]C3)c2)cc1 ZINC000414893243 433905636 /nfs/dbraw/zinc/90/56/36/433905636.db2.gz YVPMKFUJTHQXCO-IBGZPJMESA-N 2 2 310.441 3.150 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414900822 433907984 /nfs/dbraw/zinc/90/79/84/433907984.db2.gz DZSLXTVKMDOLJD-QGZVFWFLSA-N 3 2 321.896 3.036 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414923054 433917554 /nfs/dbraw/zinc/91/75/54/433917554.db2.gz DRXVXNGRPJAODH-MRXNPFEDSA-N 2 2 301.409 3.242 20 0 DGADLP C[NH2+]CCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000357236234 433919679 /nfs/dbraw/zinc/91/96/79/433919679.db2.gz DURDJFYTNBVKDZ-UHFFFAOYSA-N 2 2 300.406 3.159 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000357229601 433920030 /nfs/dbraw/zinc/92/00/30/433920030.db2.gz IBXNGQQDQAKTAR-QXAKKESOSA-N 2 2 309.457 3.478 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000357229601 433920037 /nfs/dbraw/zinc/92/00/37/433920037.db2.gz IBXNGQQDQAKTAR-QXAKKESOSA-N 2 2 309.457 3.478 20 0 DGADLP CC[C@@H](C)[N@H+](C)CCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357241594 433921608 /nfs/dbraw/zinc/92/16/08/433921608.db2.gz URAIZRGGFDCIFX-CYBMUJFWSA-N 2 2 319.424 3.084 20 0 DGADLP CC[C@@H](C)[N@@H+](C)CCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357241594 433921616 /nfs/dbraw/zinc/92/16/16/433921616.db2.gz URAIZRGGFDCIFX-CYBMUJFWSA-N 2 2 319.424 3.084 20 0 DGADLP Cc1[nH+]cc(CNC[C@@H]2[NH2+]CCCC2(C)C)n1-c1ccccc1 ZINC000414933114 433921720 /nfs/dbraw/zinc/92/17/20/433921720.db2.gz TZCWFDDWOVFOTB-SFHVURJKSA-N 2 2 312.461 3.049 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3cccs3)o2)C[C@@H]1C[NH3+] ZINC000422640010 433936006 /nfs/dbraw/zinc/93/60/06/433936006.db2.gz UJTOVLQPNFSITR-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@@H]1C[NH3+] ZINC000422640010 433936015 /nfs/dbraw/zinc/93/60/15/433936015.db2.gz UJTOVLQPNFSITR-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414944959 433932482 /nfs/dbraw/zinc/93/24/82/433932482.db2.gz OWAXKXHGGYXLBT-INIZCTEOSA-N 2 2 320.440 3.285 20 0 DGADLP CC1([NH2+]Cc2ccc(Br)cc2Cl)CC[NH2+]CC1 ZINC000414944448 433932862 /nfs/dbraw/zinc/93/28/62/433932862.db2.gz PTMUFLMLHBNWHR-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP C[C@@H](C[NH3+])[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000414942810 433932895 /nfs/dbraw/zinc/93/28/95/433932895.db2.gz KUTQMOVRAXNTMP-LBPRGKRZSA-N 2 2 320.868 3.395 20 0 DGADLP C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303363083 433933854 /nfs/dbraw/zinc/93/38/54/433933854.db2.gz DRHABAUKJKDMDW-HNAYVOBHSA-N 2 2 307.397 3.257 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1C[NH3+] ZINC000422640946 433934399 /nfs/dbraw/zinc/93/43/99/433934399.db2.gz WPQKTQYQKBESNC-JHJVBQTASA-N 2 2 322.403 3.237 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccccc3n2C(F)F)C[C@H]1C[NH3+] ZINC000422640946 433934406 /nfs/dbraw/zinc/93/44/06/433934406.db2.gz WPQKTQYQKBESNC-JHJVBQTASA-N 2 2 322.403 3.237 20 0 DGADLP Fc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414850023 433881974 /nfs/dbraw/zinc/88/19/74/433881974.db2.gz RWXYLEAPKKHCFW-QGZVFWFLSA-N 2 2 314.404 3.246 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccccn1 ZINC000436050473 433882532 /nfs/dbraw/zinc/88/25/32/433882532.db2.gz IQGKAFCLTYEELZ-CABCVRRESA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccccn1 ZINC000436050473 433882542 /nfs/dbraw/zinc/88/25/42/433882542.db2.gz IQGKAFCLTYEELZ-CABCVRRESA-N 2 2 316.474 3.019 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000422634846 433936197 /nfs/dbraw/zinc/93/61/97/433936197.db2.gz KHWNXXPZFOQKBL-RQJABVFESA-N 2 2 311.495 3.046 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000422634846 433936205 /nfs/dbraw/zinc/93/62/05/433936205.db2.gz KHWNXXPZFOQKBL-RQJABVFESA-N 2 2 311.495 3.046 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414862976 433893320 /nfs/dbraw/zinc/89/33/20/433893320.db2.gz XTEHRGNVRZGUQY-HIFRSBDPSA-N 2 2 301.459 3.288 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284363281 433894232 /nfs/dbraw/zinc/89/42/32/433894232.db2.gz NEKTYKZFRKFROC-KFKAGJAMSA-N 2 2 320.477 3.093 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295884 433942586 /nfs/dbraw/zinc/94/25/86/433942586.db2.gz XQVPOHGXNJGZAL-MOPGFXCFSA-N 2 2 304.478 3.474 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000357295884 433942596 /nfs/dbraw/zinc/94/25/96/433942596.db2.gz XQVPOHGXNJGZAL-MOPGFXCFSA-N 2 2 304.478 3.474 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000422712268 433946162 /nfs/dbraw/zinc/94/61/62/433946162.db2.gz IDPSGWDPELNLDD-BVGQSLNGSA-N 2 2 306.425 3.024 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3Cc4ccccc4N(C)C3)n2c1 ZINC000436376990 433948193 /nfs/dbraw/zinc/94/81/93/433948193.db2.gz DZDCVESMZVZSKR-MRXNPFEDSA-N 2 2 320.440 3.041 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422719130 433950561 /nfs/dbraw/zinc/95/05/61/433950561.db2.gz QTGGHALQNFYFIG-VBQJREDUSA-N 2 2 308.491 3.216 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422719131 433952167 /nfs/dbraw/zinc/95/21/67/433952167.db2.gz QTGGHALQNFYFIG-ZQIUZPCESA-N 2 2 308.491 3.216 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414977336 433952392 /nfs/dbraw/zinc/95/23/92/433952392.db2.gz RHKCVHAJSLDJBM-ZDUSSCGKSA-N 2 2 317.260 3.480 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)cn2c1 ZINC000422720819 433952509 /nfs/dbraw/zinc/95/25/09/433952509.db2.gz TYGKJOFPVLGPMI-HZPDHXFCSA-N 2 2 300.450 3.043 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414980097 433954297 /nfs/dbraw/zinc/95/42/97/433954297.db2.gz OYFQNXYOVJZVTK-MRXNPFEDSA-N 2 2 319.836 3.141 20 0 DGADLP [NH3+]CC[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)C(F)F ZINC000414983492 433955908 /nfs/dbraw/zinc/95/59/08/433955908.db2.gz CCFIGTDUOOOJRM-LBPRGKRZSA-N 2 2 311.203 3.498 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340173354 433956852 /nfs/dbraw/zinc/95/68/52/433956852.db2.gz GISRZIBWINQSLY-RBUKOAKNSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340173354 433956859 /nfs/dbraw/zinc/95/68/59/433956859.db2.gz GISRZIBWINQSLY-RBUKOAKNSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173354 433956866 /nfs/dbraw/zinc/95/68/66/433956866.db2.gz GISRZIBWINQSLY-RBUKOAKNSA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340173354 433956872 /nfs/dbraw/zinc/95/68/72/433956872.db2.gz GISRZIBWINQSLY-RBUKOAKNSA-N 3 2 303.494 3.142 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cnn1C ZINC000340176400 433957546 /nfs/dbraw/zinc/95/75/46/433957546.db2.gz XYPIAMZYWHRBSC-POZUXBRTSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cnn1C ZINC000340176400 433957552 /nfs/dbraw/zinc/95/75/52/433957552.db2.gz XYPIAMZYWHRBSC-POZUXBRTSA-N 2 2 312.461 3.215 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739042 433958939 /nfs/dbraw/zinc/95/89/39/433958939.db2.gz ZUMALIIZPCESTI-QFBILLFUSA-N 3 2 317.521 3.176 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422739042 433958950 /nfs/dbraw/zinc/95/89/50/433958950.db2.gz ZUMALIIZPCESTI-QFBILLFUSA-N 3 2 317.521 3.176 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422733050 433961801 /nfs/dbraw/zinc/96/18/01/433961801.db2.gz AQKXRLINKDKLIG-NCXUSEDFSA-N 3 2 307.526 3.151 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422733050 433961812 /nfs/dbraw/zinc/96/18/12/433961812.db2.gz AQKXRLINKDKLIG-NCXUSEDFSA-N 3 2 307.526 3.151 20 0 DGADLP C[NH+](CCC[N@H+](C)CCCCCn1cccn1)Cc1ccco1 ZINC000285496558 433972402 /nfs/dbraw/zinc/97/24/02/433972402.db2.gz CJSYXSZWZLQEIP-UHFFFAOYSA-N 2 2 318.465 3.100 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCCCCn1cccn1)Cc1ccco1 ZINC000285496558 433972410 /nfs/dbraw/zinc/97/24/10/433972410.db2.gz CJSYXSZWZLQEIP-UHFFFAOYSA-N 2 2 318.465 3.100 20 0 DGADLP C[NH+](CCCCCn1cccn1)CCC[N@H+](C)Cc1ccco1 ZINC000285496558 433972422 /nfs/dbraw/zinc/97/24/22/433972422.db2.gz CJSYXSZWZLQEIP-UHFFFAOYSA-N 2 2 318.465 3.100 20 0 DGADLP C[NH+](CCCCCn1cccn1)CCC[N@@H+](C)Cc1ccco1 ZINC000285496558 433972430 /nfs/dbraw/zinc/97/24/30/433972430.db2.gz CJSYXSZWZLQEIP-UHFFFAOYSA-N 2 2 318.465 3.100 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340191425 433974496 /nfs/dbraw/zinc/97/44/96/433974496.db2.gz PONMRPAHXBONSD-RBUKOAKNSA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340191425 433974504 /nfs/dbraw/zinc/97/45/04/433974504.db2.gz PONMRPAHXBONSD-RBUKOAKNSA-N 3 2 312.461 3.007 20 0 DGADLP Cn1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(C(C)(C)C)n1 ZINC000303991187 433975478 /nfs/dbraw/zinc/97/54/78/433975478.db2.gz WUEIKNCEDCNUTD-UHFFFAOYSA-N 2 2 314.477 3.069 20 0 DGADLP Cn1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C(C)(C)C)n1 ZINC000303991187 433975485 /nfs/dbraw/zinc/97/54/85/433975485.db2.gz WUEIKNCEDCNUTD-UHFFFAOYSA-N 2 2 314.477 3.069 20 0 DGADLP COCc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1F ZINC000422758876 433976674 /nfs/dbraw/zinc/97/66/74/433976674.db2.gz JIHHVFWFDBHYTA-QZTJIDSGSA-N 2 2 300.377 3.207 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)C1C[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000422754106 433976810 /nfs/dbraw/zinc/97/68/10/433976810.db2.gz DRKCUQYUDVQVCU-CVEARBPZSA-N 3 2 303.494 3.094 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OCC ZINC000422758192 433979317 /nfs/dbraw/zinc/97/93/17/433979317.db2.gz NQDABKHAYMPLBZ-SQWLQELKSA-N 2 2 306.450 3.275 20 0 DGADLP COc1ccc([C@H]([NH2+]CCOC2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422754117 433979450 /nfs/dbraw/zinc/97/94/50/433979450.db2.gz DSYQDJCCVONOHR-OALUTQOASA-N 2 2 318.461 3.037 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422766664 433983810 /nfs/dbraw/zinc/98/38/10/433983810.db2.gz MDEMWFMGMIGHNH-KXBFYZLASA-N 2 2 312.461 3.109 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422775218 433986120 /nfs/dbraw/zinc/98/61/20/433986120.db2.gz ARRGIOGEXQUIRI-AKHDSKFASA-N 3 2 307.526 3.007 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000422691187 433936870 /nfs/dbraw/zinc/93/68/70/433936870.db2.gz IAHQXKWJRUCXQV-ACJTYDJDSA-N 2 2 309.251 3.383 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C3CC[NH+](C4CCC4)CC3)sc2C1 ZINC000345827107 433939650 /nfs/dbraw/zinc/93/96/50/433939650.db2.gz GRUXMGJXRNUNNK-CYBMUJFWSA-N 2 2 319.518 3.374 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422799195 434008942 /nfs/dbraw/zinc/00/89/42/434008942.db2.gz VOTMDXNYIRVOJG-KGLIPLIRSA-N 2 2 302.340 3.205 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422797714 434010641 /nfs/dbraw/zinc/01/06/41/434010641.db2.gz ODXBREVSXHUIGJ-MOPGFXCFSA-N 2 2 316.489 3.101 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1OC(F)F ZINC000422798848 434011925 /nfs/dbraw/zinc/01/19/25/434011925.db2.gz TVHTWAOAOQCGBG-CZUORRHYSA-N 2 2 320.383 3.336 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802344 434016331 /nfs/dbraw/zinc/01/63/31/434016331.db2.gz BFGJDEMCZBKGNP-SQWLQELKSA-N 2 2 306.450 3.274 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340256987 434021483 /nfs/dbraw/zinc/02/14/83/434021483.db2.gz IYPVJDTXQPQCDG-NZSAHSFTSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340256987 434021488 /nfs/dbraw/zinc/02/14/88/434021488.db2.gz IYPVJDTXQPQCDG-NZSAHSFTSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422811491 434022023 /nfs/dbraw/zinc/02/20/23/434022023.db2.gz OZDAGDBCYIEMQE-KGLIPLIRSA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000422825407 434031628 /nfs/dbraw/zinc/03/16/28/434031628.db2.gz AEOYGAXMZXUIMY-VQTJNVASSA-N 3 2 318.424 3.166 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340282624 434036482 /nfs/dbraw/zinc/03/64/82/434036482.db2.gz BBCCIYZKXILFHJ-KZNAEPCWSA-N 2 2 304.482 3.029 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000340282624 434036491 /nfs/dbraw/zinc/03/64/91/434036491.db2.gz BBCCIYZKXILFHJ-KZNAEPCWSA-N 2 2 304.482 3.029 20 0 DGADLP Cc1ccccc1[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000422833419 434037402 /nfs/dbraw/zinc/03/74/02/434037402.db2.gz GVBDTZZQJFHVPS-JZXOWHBKSA-N 2 2 304.478 3.439 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422829198 434037619 /nfs/dbraw/zinc/03/76/19/434037619.db2.gz PMUMIKGKVVTSEY-XLIONFOSSA-N 3 2 315.505 3.293 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000305107275 434039932 /nfs/dbraw/zinc/03/99/32/434039932.db2.gz DLLFNERPTJZRGF-DOTOQJQBSA-N 2 2 314.429 3.052 20 0 DGADLP CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305105763 434043268 /nfs/dbraw/zinc/04/32/68/434043268.db2.gz CWZWFMKFFZWRDN-DAYGRLMNSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840449 434045574 /nfs/dbraw/zinc/04/55/74/434045574.db2.gz SYGXCIPQWXEEDU-SOLBZPMBSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000422840449 434045585 /nfs/dbraw/zinc/04/55/85/434045585.db2.gz SYGXCIPQWXEEDU-SOLBZPMBSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363217980 433997241 /nfs/dbraw/zinc/99/72/41/433997241.db2.gz DINYWKJKMRIKNF-CVEARBPZSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363217980 433997249 /nfs/dbraw/zinc/99/72/49/433997249.db2.gz DINYWKJKMRIKNF-CVEARBPZSA-N 2 2 321.896 3.113 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340387020 434100928 /nfs/dbraw/zinc/10/09/28/434100928.db2.gz AIGDNFAKIADRNN-IPMKNSEASA-N 2 2 324.472 3.296 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340387020 434100940 /nfs/dbraw/zinc/10/09/40/434100940.db2.gz AIGDNFAKIADRNN-IPMKNSEASA-N 2 2 324.472 3.296 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)Nc1nc[nH+]c(N)c1Cl)[NH+](C)C ZINC000357537418 434066096 /nfs/dbraw/zinc/06/60/96/434066096.db2.gz SJTSUEOZBXWLJP-BXUZGUMPSA-N 2 2 319.840 3.124 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422874490 434069884 /nfs/dbraw/zinc/06/98/84/434069884.db2.gz AFDJOYZHWUCSAQ-DNVCBOLYSA-N 2 2 321.424 3.390 20 0 DGADLP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422870998 293914219 /nfs/dbraw/zinc/91/42/19/293914219.db2.gz YGHCSVOUJMPNNZ-AEFFLSMTSA-N 2 2 320.477 3.031 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422880027 434078472 /nfs/dbraw/zinc/07/84/72/434078472.db2.gz LJWMIGWLXOPAKE-ZDUSSCGKSA-N 2 2 312.417 3.084 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c(OC(F)F)c1 ZINC000422891317 434085875 /nfs/dbraw/zinc/08/58/75/434085875.db2.gz VDWISWXFIKPKGG-KGLIPLIRSA-N 2 2 314.376 3.046 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422892065 434088958 /nfs/dbraw/zinc/08/89/58/434088958.db2.gz LYUPUKXPMKOJDE-CRAIPNDOSA-N 2 2 321.424 3.390 20 0 DGADLP C[NH+](CCC[N@@H+](C)CC[C@@H](O)c1ccccc1)Cc1ccco1 ZINC000285863114 434090350 /nfs/dbraw/zinc/09/03/50/434090350.db2.gz YMVOXKUTBJTIBL-LJQANCHMSA-N 2 2 316.445 3.157 20 0 DGADLP C[NH+](CCC[N@H+](C)CC[C@@H](O)c1ccccc1)Cc1ccco1 ZINC000285863114 434090358 /nfs/dbraw/zinc/09/03/58/434090358.db2.gz YMVOXKUTBJTIBL-LJQANCHMSA-N 2 2 316.445 3.157 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC[C@@H](O)c1ccccc1 ZINC000285863114 434090368 /nfs/dbraw/zinc/09/03/68/434090368.db2.gz YMVOXKUTBJTIBL-LJQANCHMSA-N 2 2 316.445 3.157 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC[C@@H](O)c1ccccc1 ZINC000285863114 434090380 /nfs/dbraw/zinc/09/03/80/434090380.db2.gz YMVOXKUTBJTIBL-LJQANCHMSA-N 2 2 316.445 3.157 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)CCCC2)c1 ZINC000422905085 434095385 /nfs/dbraw/zinc/09/53/85/434095385.db2.gz HPUIOOOWXCXVEH-MJGOQNOKSA-N 2 2 316.489 3.163 20 0 DGADLP CC[C@@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]1 ZINC000422901586 434097349 /nfs/dbraw/zinc/09/73/49/434097349.db2.gz SGAZUZROGIEWKZ-NEPJUHHUSA-N 2 2 303.269 3.131 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000422842240 434047756 /nfs/dbraw/zinc/04/77/56/434047756.db2.gz FMCVVFWUXGEAEL-GUYCJALGSA-N 2 2 315.392 3.101 20 0 DGADLP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305171874 434053341 /nfs/dbraw/zinc/05/33/41/434053341.db2.gz ZXKJWWHLDSVIPJ-SFHVURJKSA-N 2 2 324.896 3.301 20 0 DGADLP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305171872 434054081 /nfs/dbraw/zinc/05/40/81/434054081.db2.gz ZXKJWWHLDSVIPJ-GOSISDBHSA-N 2 2 324.896 3.301 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422855067 434054867 /nfs/dbraw/zinc/05/48/67/434054867.db2.gz DGYDMGXXJXZALQ-OALUTQOASA-N 3 2 303.494 3.147 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422855067 434054878 /nfs/dbraw/zinc/05/48/78/434054878.db2.gz DGYDMGXXJXZALQ-OALUTQOASA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422914603 434107211 /nfs/dbraw/zinc/10/72/11/434107211.db2.gz UXRUNVGMGGLVEK-VQIMIIECSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422914603 434107223 /nfs/dbraw/zinc/10/72/23/434107223.db2.gz UXRUNVGMGGLVEK-VQIMIIECSA-N 3 2 303.494 3.147 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000340401536 434110446 /nfs/dbraw/zinc/11/04/46/434110446.db2.gz ULYYGABPPDBECJ-MAUKXSAKSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643657 434111982 /nfs/dbraw/zinc/11/19/82/434111982.db2.gz AEEYESPETBOJTD-INIZCTEOSA-N 2 2 312.457 3.289 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643657 434111992 /nfs/dbraw/zinc/11/19/92/434111992.db2.gz AEEYESPETBOJTD-INIZCTEOSA-N 2 2 312.457 3.289 20 0 DGADLP C[C@@H]([NH2+]CCOc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422934840 434117222 /nfs/dbraw/zinc/11/72/22/434117222.db2.gz KGFGHUBRUAWMTG-VQIMIIECSA-N 2 2 310.441 3.463 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000497179029 294010613 /nfs/dbraw/zinc/01/06/13/294010613.db2.gz QERLLAJGKLJQBG-HUUCEWRRSA-N 2 2 321.465 3.214 20 0 DGADLP Cc1ccc(CCC[NH+]2CCN(c3ccccc3C)CC2)c[nH+]1 ZINC000353388325 434101025 /nfs/dbraw/zinc/10/10/25/434101025.db2.gz ZHZMDSNTEBUFEC-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000498368872 294058918 /nfs/dbraw/zinc/05/89/18/294058918.db2.gz FLPPIUCWGQCQMF-WBMJQRKESA-N 2 2 310.844 3.441 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000498368872 294058921 /nfs/dbraw/zinc/05/89/21/294058921.db2.gz FLPPIUCWGQCQMF-WBMJQRKESA-N 2 2 310.844 3.441 20 0 DGADLP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346118959 434127531 /nfs/dbraw/zinc/12/75/31/434127531.db2.gz ZHQQIDFTTLAGJD-WMZOPIPTSA-N 2 2 319.518 3.310 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)cc1F ZINC000503877208 294203609 /nfs/dbraw/zinc/20/36/09/294203609.db2.gz WPOHWVPFRJFMBO-ADOMEBDSSA-N 2 2 318.436 3.153 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)cc1F ZINC000503877208 294203610 /nfs/dbraw/zinc/20/36/10/294203610.db2.gz WPOHWVPFRJFMBO-ADOMEBDSSA-N 2 2 318.436 3.153 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000508042910 294315319 /nfs/dbraw/zinc/31/53/19/294315319.db2.gz UQFTXFNATDLWST-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1C ZINC000508981048 294337605 /nfs/dbraw/zinc/33/76/05/294337605.db2.gz ZLLHZQIBEUIIEN-OALUTQOASA-N 2 2 315.505 3.177 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1C ZINC000508981048 294337608 /nfs/dbraw/zinc/33/76/08/294337608.db2.gz ZLLHZQIBEUIIEN-OALUTQOASA-N 2 2 315.505 3.177 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509280302 294345396 /nfs/dbraw/zinc/34/53/96/294345396.db2.gz TVKAATRTUCRMJH-IBGZPJMESA-N 2 2 315.505 3.463 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509280302 294345398 /nfs/dbraw/zinc/34/53/98/294345398.db2.gz TVKAATRTUCRMJH-IBGZPJMESA-N 2 2 315.505 3.463 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)C1 ZINC000509680148 294361694 /nfs/dbraw/zinc/36/16/94/294361694.db2.gz JZKIWJLKFRDMCO-GOSISDBHSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)C1 ZINC000509680148 294361695 /nfs/dbraw/zinc/36/16/95/294361695.db2.gz JZKIWJLKFRDMCO-GOSISDBHSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000510420850 294382539 /nfs/dbraw/zinc/38/25/39/294382539.db2.gz HCDGPIVGXGIPLZ-IRXDYDNUSA-N 2 2 324.468 3.360 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000510420850 294382540 /nfs/dbraw/zinc/38/25/40/294382540.db2.gz HCDGPIVGXGIPLZ-IRXDYDNUSA-N 2 2 324.468 3.360 20 0 DGADLP Cc1cccn2c(CN3CC[NH+](CCC(C)(C)C)CC3)c[nH+]c12 ZINC000510645991 294388891 /nfs/dbraw/zinc/38/88/91/294388891.db2.gz OFISGYLCMKDXKJ-UHFFFAOYSA-N 2 2 314.477 3.197 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])o2)cs1 ZINC000422951076 434132494 /nfs/dbraw/zinc/13/24/94/434132494.db2.gz XKBUPNIAQGMTMK-KGLIPLIRSA-N 2 2 305.447 3.461 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422976019 434150683 /nfs/dbraw/zinc/15/06/83/434150683.db2.gz UHWMVWPVSWRTIC-RHSMWYFYSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccncc1F ZINC000340477381 434153181 /nfs/dbraw/zinc/15/31/81/434153181.db2.gz VJJBYRUGHIBFRW-GFCCVEGCSA-N 2 2 305.372 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422983877 434155378 /nfs/dbraw/zinc/15/53/78/434155378.db2.gz VNDVWXDGUBDELJ-QAPCUYQASA-N 2 2 310.445 3.052 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000353482562 434163555 /nfs/dbraw/zinc/16/35/55/434163555.db2.gz FOCMBZYLTJVTFY-DOTOQJQBSA-N 2 2 300.450 3.209 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000353482562 434163566 /nfs/dbraw/zinc/16/35/66/434163566.db2.gz FOCMBZYLTJVTFY-DOTOQJQBSA-N 2 2 300.450 3.209 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000423034089 434178342 /nfs/dbraw/zinc/17/83/42/434178342.db2.gz XFWFMHWVWZLERH-ABAIWWIYSA-N 2 2 317.260 3.098 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](CCC(C)C)c2ccoc2)CC1 ZINC000353506436 434183133 /nfs/dbraw/zinc/18/31/33/434183133.db2.gz YIUGZTVDKGHPMI-GOSISDBHSA-N 2 2 308.466 3.457 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423038079 434183095 /nfs/dbraw/zinc/18/30/95/434183095.db2.gz CJXPOZYCJYGAOQ-ZMYBRWDISA-N 2 2 318.436 3.118 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@H]2CCCCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423043136 434183747 /nfs/dbraw/zinc/18/37/47/434183747.db2.gz NJEDIBHASVZEMD-QYZOEREBSA-N 2 2 318.461 3.037 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[NH+](C)C ZINC000363941590 434192513 /nfs/dbraw/zinc/19/25/13/434192513.db2.gz XMJKDYNMXYYLJQ-YESZJQIVSA-N 2 2 306.498 3.012 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061400 434197205 /nfs/dbraw/zinc/19/72/05/434197205.db2.gz KQMKDWSXXFXOSA-HSALFYBXSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061400 434197215 /nfs/dbraw/zinc/19/72/15/434197215.db2.gz KQMKDWSXXFXOSA-HSALFYBXSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423060145 434199366 /nfs/dbraw/zinc/19/93/66/434199366.db2.gz HGACDODFQKOAHD-RRWXTXHCSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CC1 ZINC000423060145 434199376 /nfs/dbraw/zinc/19/93/76/434199376.db2.gz HGACDODFQKOAHD-RRWXTXHCSA-N 3 2 315.505 3.004 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccnn1-c1ccccc1)CCC2 ZINC000364001489 434206225 /nfs/dbraw/zinc/20/62/25/434206225.db2.gz LMDSRFBELNLHAW-MRXNPFEDSA-N 2 2 321.428 3.044 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]1 ZINC000423079073 434206317 /nfs/dbraw/zinc/20/63/17/434206317.db2.gz PYCSUQUCGKKLNW-AJNGGQMLSA-N 2 2 307.486 3.280 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)[C@@H]1CCC[NH2+]1 ZINC000423081580 434206805 /nfs/dbraw/zinc/20/68/05/434206805.db2.gz DBQBYCJZBIFTSC-BBRMVZONSA-N 2 2 315.392 3.243 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CCC2)cc1C ZINC000423089837 434214158 /nfs/dbraw/zinc/21/41/58/434214158.db2.gz TVMNQWMSLUOKHF-HKUYNNGSSA-N 2 2 316.489 3.082 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCOc1ccccc1)Cc1ccco1 ZINC000353546929 434214877 /nfs/dbraw/zinc/21/48/77/434214877.db2.gz XYHNIXGUNJYVHN-UHFFFAOYSA-N 2 2 302.418 3.112 20 0 DGADLP C[NH+](CCC[N@H+](C)CCOc1ccccc1)Cc1ccco1 ZINC000353546929 434214885 /nfs/dbraw/zinc/21/48/85/434214885.db2.gz XYHNIXGUNJYVHN-UHFFFAOYSA-N 2 2 302.418 3.112 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCOc1ccccc1 ZINC000353546929 434214890 /nfs/dbraw/zinc/21/48/90/434214890.db2.gz XYHNIXGUNJYVHN-UHFFFAOYSA-N 2 2 302.418 3.112 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCOc1ccccc1 ZINC000353546929 434214901 /nfs/dbraw/zinc/21/49/01/434214901.db2.gz XYHNIXGUNJYVHN-UHFFFAOYSA-N 2 2 302.418 3.112 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000346232768 434219297 /nfs/dbraw/zinc/21/92/97/434219297.db2.gz YRZFZADCMCUWLN-CQSZACIVSA-N 2 2 303.431 3.315 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000346232768 434219307 /nfs/dbraw/zinc/21/93/07/434219307.db2.gz YRZFZADCMCUWLN-CQSZACIVSA-N 2 2 303.431 3.315 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437113791 434219979 /nfs/dbraw/zinc/21/99/79/434219979.db2.gz KWAGZPDANYOVJZ-ZDUSSCGKSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC4(CCC4)C3)sc2C1 ZINC000346174129 434166973 /nfs/dbraw/zinc/16/69/73/434166973.db2.gz NOEBSRACQVFNOW-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC4(CCC4)C3)sc2C1 ZINC000346174129 434166977 /nfs/dbraw/zinc/16/69/77/434166977.db2.gz NOEBSRACQVFNOW-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC4(CCC4)C3)sc2C1 ZINC000346174129 434166981 /nfs/dbraw/zinc/16/69/81/434166981.db2.gz NOEBSRACQVFNOW-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC4(CCC4)C3)sc2C1 ZINC000346174129 434166982 /nfs/dbraw/zinc/16/69/82/434166982.db2.gz NOEBSRACQVFNOW-UHFFFAOYSA-N 2 2 305.491 3.286 20 0 DGADLP Clc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000423018947 434167624 /nfs/dbraw/zinc/16/76/24/434167624.db2.gz SNRPKDOBEVIZNM-NVXWUHKLSA-N 2 2 301.821 3.318 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423131522 434239887 /nfs/dbraw/zinc/23/98/87/434239887.db2.gz ZYVGCTPIQCEOLW-MSOLQXFVSA-N 2 2 320.477 3.141 20 0 DGADLP Cc1cnc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577948 434241986 /nfs/dbraw/zinc/24/19/86/434241986.db2.gz UFBJOUAKBBPFSS-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577948 434241992 /nfs/dbraw/zinc/24/19/92/434241992.db2.gz UFBJOUAKBBPFSS-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577948 434242001 /nfs/dbraw/zinc/24/20/01/434242001.db2.gz UFBJOUAKBBPFSS-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577948 434242009 /nfs/dbraw/zinc/24/20/09/434242009.db2.gz UFBJOUAKBBPFSS-PXNSSMCTSA-N 2 2 324.472 3.270 20 0 DGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423149585 434249090 /nfs/dbraw/zinc/24/90/90/434249090.db2.gz XVIMDCWCWSLRIF-BBRMVZONSA-N 3 2 318.852 3.133 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423150654 434249817 /nfs/dbraw/zinc/24/98/17/434249817.db2.gz BPFJTZWGKALPPX-WFASDCNBSA-N 2 2 323.362 3.149 20 0 DGADLP C[C@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000423153764 434252601 /nfs/dbraw/zinc/25/26/01/434252601.db2.gz GXQDCKBGBTZKOY-HZMBPMFUSA-N 2 2 303.233 3.102 20 0 DGADLP C[C@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000423153765 434253018 /nfs/dbraw/zinc/25/30/18/434253018.db2.gz GXQDCKBGBTZKOY-IINYFYTJSA-N 2 2 303.233 3.102 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181891 434253944 /nfs/dbraw/zinc/25/39/44/434253944.db2.gz SDIWWWXZGGCTKY-BHIYHBOVSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181891 434253952 /nfs/dbraw/zinc/25/39/52/434253952.db2.gz SDIWWWXZGGCTKY-BHIYHBOVSA-N 2 2 324.472 3.391 20 0 DGADLP CCO[C@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C12CCC2 ZINC000515344824 294552642 /nfs/dbraw/zinc/55/26/42/294552642.db2.gz RRMHUBJSXPLDKV-HOTGVXAUSA-N 2 2 312.417 3.086 20 0 DGADLP CCC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000295211919 434257650 /nfs/dbraw/zinc/25/76/50/434257650.db2.gz AOEVGQOHCPEPCY-CYBMUJFWSA-N 2 2 314.433 3.089 20 0 DGADLP C[C@H](CC[NH2+]Cc1cncc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000379652020 434258918 /nfs/dbraw/zinc/25/89/18/434258918.db2.gz VRMSGZCPLHIFRD-OAHLLOKOSA-N 2 2 301.409 3.221 20 0 DGADLP C[C@H](CC[NH2+]Cc1cncc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000379652020 434258927 /nfs/dbraw/zinc/25/89/27/434258927.db2.gz VRMSGZCPLHIFRD-OAHLLOKOSA-N 2 2 301.409 3.221 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423181709 434265130 /nfs/dbraw/zinc/26/51/30/434265130.db2.gz PIHBCLFOVVHWKB-OAHLLOKOSA-N 3 2 312.461 3.493 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000515791946 294577599 /nfs/dbraw/zinc/57/75/99/294577599.db2.gz DZMNPWYFUNEZGO-UHFFFAOYSA-N 2 2 320.440 3.408 20 0 DGADLP Clc1ccccc1C1CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353555973 434224185 /nfs/dbraw/zinc/22/41/85/434224185.db2.gz QBUIBSZXUAPQKM-OTTFEQOBSA-N 2 2 301.821 3.456 20 0 DGADLP Clc1ccccc1C1CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353555973 434224199 /nfs/dbraw/zinc/22/41/99/434224199.db2.gz QBUIBSZXUAPQKM-OTTFEQOBSA-N 2 2 301.821 3.456 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2CC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423121315 434232347 /nfs/dbraw/zinc/23/23/47/434232347.db2.gz ATNIDVVASPUBNR-HZPDHXFCSA-N 2 2 310.388 3.123 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000353564706 434234132 /nfs/dbraw/zinc/23/41/32/434234132.db2.gz DTIKVPANAISGNS-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000353564706 434234140 /nfs/dbraw/zinc/23/41/40/434234140.db2.gz DTIKVPANAISGNS-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000358015567 434285775 /nfs/dbraw/zinc/28/57/75/434285775.db2.gz LMBPBFONVFAEQB-INIZCTEOSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000358015567 434285783 /nfs/dbraw/zinc/28/57/83/434285783.db2.gz LMBPBFONVFAEQB-INIZCTEOSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](COC)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009971 434285985 /nfs/dbraw/zinc/28/59/85/434285985.db2.gz WZURPASXRITXDA-RTBURBONSA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@H](COC)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009971 434286003 /nfs/dbraw/zinc/28/60/03/434286003.db2.gz WZURPASXRITXDA-RTBURBONSA-N 2 2 304.478 3.084 20 0 DGADLP Cc1ccc(CCC[NH+]2CCN(c3cccs3)CC2)c[nH+]1 ZINC000353626166 434286077 /nfs/dbraw/zinc/28/60/77/434286077.db2.gz PWFDXIHXLIXNMC-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP Cc1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)cc1 ZINC000423224863 434294465 /nfs/dbraw/zinc/29/44/65/434294465.db2.gz CYISJYSEPACVAM-FQEVSTJZSA-N 2 2 322.456 3.363 20 0 DGADLP CCOC(=O)CC1([NH2+]CCCc2c[nH+]ccc2C)CCCC1 ZINC000348388077 434296816 /nfs/dbraw/zinc/29/68/16/434296816.db2.gz MXBJPBLJBIMEJU-UHFFFAOYSA-N 2 2 304.434 3.178 20 0 DGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231734 434297804 /nfs/dbraw/zinc/29/78/04/434297804.db2.gz LMKCWDVDBBXGFD-YJBOKZPZSA-N 2 2 322.456 3.460 20 0 DGADLP c1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)cc1 ZINC000423232457 434299471 /nfs/dbraw/zinc/29/94/71/434299471.db2.gz MRHVJCXLGXDXBW-LJQANCHMSA-N 2 2 308.429 3.054 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423233326 434300028 /nfs/dbraw/zinc/30/00/28/434300028.db2.gz DPDXTFIYDOZFOC-FZKQIMNGSA-N 2 2 300.450 3.203 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000295307488 434300538 /nfs/dbraw/zinc/30/05/38/434300538.db2.gz VQNOQWNPOWJYRS-ZDUSSCGKSA-N 2 2 313.380 3.079 20 0 DGADLP CCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423237460 434303392 /nfs/dbraw/zinc/30/33/92/434303392.db2.gz TYLTWLALOLYZTF-SFHVURJKSA-N 2 2 310.445 3.445 20 0 DGADLP C[NH2+]CC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423236448 434304527 /nfs/dbraw/zinc/30/45/27/434304527.db2.gz COCITWLMNSTYBW-IBGZPJMESA-N 3 2 321.484 3.188 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1 ZINC000423234231 434305076 /nfs/dbraw/zinc/30/50/76/434305076.db2.gz PFBWLSZCXIBPLR-QGZVFWFLSA-N 2 2 314.408 3.194 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000423241047 434305722 /nfs/dbraw/zinc/30/57/22/434305722.db2.gz HSNHSHCJRLLEAB-CYBMUJFWSA-N 2 2 317.658 3.289 20 0 DGADLP C[C@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc21 ZINC000423238960 434306637 /nfs/dbraw/zinc/30/66/37/434306637.db2.gz VQOMCKKWWBTFAQ-KBXCAEBGSA-N 2 2 308.429 3.152 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000287094607 434306896 /nfs/dbraw/zinc/30/68/96/434306896.db2.gz PQSFYPLBYFVFFB-GJZGRUSLSA-N 2 2 305.466 3.067 20 0 DGADLP C[C@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc21 ZINC000423238962 434307025 /nfs/dbraw/zinc/30/70/25/434307025.db2.gz VQOMCKKWWBTFAQ-KSSFIOAISA-N 2 2 308.429 3.152 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nccn2-c2ccccc2)[C@H](C)C1 ZINC000287199514 434309435 /nfs/dbraw/zinc/30/94/35/434309435.db2.gz WERRCFJPQOUJBA-NUJGCVRESA-N 2 2 312.461 3.253 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nccn2-c2ccccc2)[C@H](C)C1 ZINC000287199514 434309448 /nfs/dbraw/zinc/30/94/48/434309448.db2.gz WERRCFJPQOUJBA-NUJGCVRESA-N 2 2 312.461 3.253 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1nc2c(s1)CCCC2 ZINC000423241328 434309497 /nfs/dbraw/zinc/30/94/97/434309497.db2.gz LJHQAFUAAHLUSS-GXTWGEPZSA-N 2 2 301.459 3.373 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1nc2c(s1)CCCC2 ZINC000423241329 434310206 /nfs/dbraw/zinc/31/02/06/434310206.db2.gz LJHQAFUAAHLUSS-JSGCOSHPSA-N 2 2 301.459 3.373 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423247001 434310666 /nfs/dbraw/zinc/31/06/66/434310666.db2.gz OLODQSLBLDJZPS-HNNXBMFYSA-N 2 2 300.450 3.058 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1nc2c(s1)CCCC2 ZINC000423241331 434310752 /nfs/dbraw/zinc/31/07/52/434310752.db2.gz LJHQAFUAAHLUSS-TZMCWYRMSA-N 2 2 301.459 3.373 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1F)C[NH+](C)C ZINC000386439927 434314086 /nfs/dbraw/zinc/31/40/86/434314086.db2.gz CGKFWUUXHMODRG-MNOVXSKESA-N 2 2 317.246 3.437 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000423250032 434315110 /nfs/dbraw/zinc/31/51/10/434315110.db2.gz PWOJJYHMFUMBTR-NHYWBVRUSA-N 2 2 305.809 3.094 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCO1 ZINC000386947069 434317699 /nfs/dbraw/zinc/31/76/99/434317699.db2.gz WSUAYIQZWAUPIK-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCO1 ZINC000386947069 434317707 /nfs/dbraw/zinc/31/77/07/434317707.db2.gz WSUAYIQZWAUPIK-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423260610 434318048 /nfs/dbraw/zinc/31/80/48/434318048.db2.gz HRFJKLMBTGDXPG-BEFAXECRSA-N 3 2 312.461 3.431 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423255501 434319651 /nfs/dbraw/zinc/31/96/51/434319651.db2.gz AGLZIEKPTCMDBN-RNCFNFMXSA-N 2 2 315.230 3.021 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cnn1-c1ccc(F)cc1 ZINC000423267497 434324818 /nfs/dbraw/zinc/32/48/18/434324818.db2.gz TUPMDMJIAOJBLA-BBRMVZONSA-N 2 2 318.440 3.344 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390597351 434361433 /nfs/dbraw/zinc/36/14/33/434361433.db2.gz XFDGKSGTEXFELI-SJORKVTESA-N 2 2 312.457 3.433 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390597351 434361444 /nfs/dbraw/zinc/36/14/44/434361444.db2.gz XFDGKSGTEXFELI-SJORKVTESA-N 2 2 312.457 3.433 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000417353040 434362581 /nfs/dbraw/zinc/36/25/81/434362581.db2.gz HVBQHSOMBNHOQY-SJORKVTESA-N 2 2 322.880 3.114 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000287449439 434362953 /nfs/dbraw/zinc/36/29/53/434362953.db2.gz HXISEDXQSSXXPB-CQSZACIVSA-N 2 2 318.446 3.184 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625695 434363548 /nfs/dbraw/zinc/36/35/48/434363548.db2.gz HWONYWKDVJBGIE-MOPGFXCFSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390625695 434363553 /nfs/dbraw/zinc/36/35/53/434363553.db2.gz HWONYWKDVJBGIE-MOPGFXCFSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450724879 434364195 /nfs/dbraw/zinc/36/41/95/434364195.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000450724879 434364201 /nfs/dbraw/zinc/36/42/01/434364201.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724879 434364206 /nfs/dbraw/zinc/36/42/06/434364206.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724879 434364213 /nfs/dbraw/zinc/36/42/13/434364213.db2.gz HGYOLNTVZDALHB-BJLQDIEVSA-N 3 2 321.553 3.492 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358171660 434365182 /nfs/dbraw/zinc/36/51/82/434365182.db2.gz SNXIWAPURCWKEY-LPHOPBHVSA-N 2 2 304.478 3.401 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000390627168 434365863 /nfs/dbraw/zinc/36/58/63/434365863.db2.gz PSHLUVJLRVHOFE-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000390627168 434365871 /nfs/dbraw/zinc/36/58/71/434365871.db2.gz PSHLUVJLRVHOFE-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000423330731 434365961 /nfs/dbraw/zinc/36/59/61/434365961.db2.gz MATWCGNSMNHMQB-CQSZACIVSA-N 2 2 312.413 3.473 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Br)cc1Cl ZINC000423343289 434373462 /nfs/dbraw/zinc/37/34/62/434373462.db2.gz ZWGNTFYGOUOSFR-PELKAZGASA-N 2 2 305.647 3.490 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000358197753 434377682 /nfs/dbraw/zinc/37/76/82/434377682.db2.gz GDIULAPBLGNZIZ-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000358197753 434377690 /nfs/dbraw/zinc/37/76/90/434377690.db2.gz GDIULAPBLGNZIZ-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CC1(C)C ZINC000417391147 434379180 /nfs/dbraw/zinc/37/91/80/434379180.db2.gz ADPTZRLQVHYBCZ-QZTJIDSGSA-N 2 2 301.478 3.460 20 0 DGADLP CC1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C[NH2+]C1 ZINC000423362499 434381616 /nfs/dbraw/zinc/38/16/16/434381616.db2.gz IFTIPTLMDSUZOD-UHFFFAOYSA-N 2 2 317.776 3.075 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ncc2F)CC1 ZINC000287531580 434385985 /nfs/dbraw/zinc/38/59/85/434385985.db2.gz DRTDGFMJUWKELT-ZDUSSCGKSA-N 2 2 309.429 3.144 20 0 DGADLP C[C@@H](O)CCC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751327 434385958 /nfs/dbraw/zinc/38/59/58/434385958.db2.gz DAOVEFVJZYTHPC-VQIMIIECSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@@H](O)CCC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751327 434385968 /nfs/dbraw/zinc/38/59/68/434385968.db2.gz DAOVEFVJZYTHPC-VQIMIIECSA-N 2 2 318.505 3.210 20 0 DGADLP c1c[nH+]c([C@H](NCC[NH2+]C2CCCCCC2)c2ccccc2)[nH]1 ZINC000423276594 434334965 /nfs/dbraw/zinc/33/49/65/434334965.db2.gz NFRCLYUJBUWHEM-GOSISDBHSA-N 2 2 312.461 3.401 20 0 DGADLP CSC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423281730 434339167 /nfs/dbraw/zinc/33/91/67/434339167.db2.gz UPPYPFHQINKJRG-UONOGXRCSA-N 2 2 318.408 3.436 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423281596 434339862 /nfs/dbraw/zinc/33/98/62/434339862.db2.gz VEVCLWBKSSOGSI-NOZJJQNGSA-N 2 2 303.219 3.222 20 0 DGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000340768787 434350379 /nfs/dbraw/zinc/35/03/79/434350379.db2.gz BNVOECYCFFOAQK-QAPCUYQASA-N 2 2 322.456 3.737 20 0 DGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000340768787 434350386 /nfs/dbraw/zinc/35/03/86/434350386.db2.gz BNVOECYCFFOAQK-QAPCUYQASA-N 2 2 322.456 3.737 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000423298359 434350422 /nfs/dbraw/zinc/35/04/22/434350422.db2.gz OEAJHWQYSWWEHW-FZMZJTMJSA-N 2 2 302.821 3.274 20 0 DGADLP Fc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccc(Cl)cc2)cc1 ZINC000423303569 434351039 /nfs/dbraw/zinc/35/10/39/434351039.db2.gz LYENLWCWNRQHAC-QGZVFWFLSA-N 2 2 304.796 3.378 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000389851832 434352814 /nfs/dbraw/zinc/35/28/14/434352814.db2.gz WJZUCOUEGYXFNG-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000389851832 434352820 /nfs/dbraw/zinc/35/28/20/434352820.db2.gz WJZUCOUEGYXFNG-AITUJVMLSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358154165 434353929 /nfs/dbraw/zinc/35/39/29/434353929.db2.gz NDNYCSCBKYZMFF-PKOBYXMFSA-N 2 2 304.478 3.474 20 0 DGADLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1ccc2cc(OC)ccc2c1 ZINC000423314389 434355243 /nfs/dbraw/zinc/35/52/43/434355243.db2.gz GYFXONANRVOPJH-IBGZPJMESA-N 2 2 316.445 3.125 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423318471 434359344 /nfs/dbraw/zinc/35/93/44/434359344.db2.gz BTKXLXONDWDMSY-CYBMUJFWSA-N 2 2 322.449 3.441 20 0 DGADLP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348682588 434443440 /nfs/dbraw/zinc/44/34/40/434443440.db2.gz NFTYLABVNGPKCV-ZCNNSNEGSA-N 2 2 316.489 3.039 20 0 DGADLP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348682588 434443447 /nfs/dbraw/zinc/44/34/47/434443447.db2.gz NFTYLABVNGPKCV-ZCNNSNEGSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423482042 434445761 /nfs/dbraw/zinc/44/57/61/434445761.db2.gz XNVQFOWIDGTXGV-GSEOLPGOSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423482042 434445773 /nfs/dbraw/zinc/44/57/73/434445773.db2.gz XNVQFOWIDGTXGV-GSEOLPGOSA-N 3 2 315.505 3.147 20 0 DGADLP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000423374309 434392719 /nfs/dbraw/zinc/39/27/19/434392719.db2.gz SSEKWJSMWYVACX-MRXNPFEDSA-N 2 2 312.417 3.313 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncs1 ZINC000423376972 434392998 /nfs/dbraw/zinc/39/29/98/434392998.db2.gz VHJNCJBUBFJFBR-WBIUFABUSA-N 2 2 323.412 3.218 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(OC)c1 ZINC000423375947 434393654 /nfs/dbraw/zinc/39/36/54/434393654.db2.gz DLIZEKBLJQSFNF-SUMWQHHRSA-N 2 2 306.450 3.133 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423390609 434398040 /nfs/dbraw/zinc/39/80/40/434398040.db2.gz ORTHILGHAYIDBB-IAQYHMDHSA-N 2 2 311.267 3.414 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]CC[C@H]2CCOC2)c2ccccc2)CC1 ZINC000438082552 434398237 /nfs/dbraw/zinc/39/82/37/434398237.db2.gz UBIDINBZVKJEHZ-ICSRJNTNSA-N 2 2 316.489 3.476 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423394292 434400047 /nfs/dbraw/zinc/40/00/47/434400047.db2.gz RYMANCHVYKOFAI-QAPCUYQASA-N 3 2 312.461 3.301 20 0 DGADLP C[NH2+][C@H](C)C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423402809 434405520 /nfs/dbraw/zinc/40/55/20/434405520.db2.gz XDZBRCNOVMJLDN-DYVFJYSZSA-N 2 2 303.837 3.216 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)CCC[NH2+]1 ZINC000423415490 434408966 /nfs/dbraw/zinc/40/89/66/434408966.db2.gz PCVAYQTYIBYDRY-KDOFPFPSSA-N 2 2 302.418 3.160 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423412854 434409110 /nfs/dbraw/zinc/40/91/10/434409110.db2.gz IWVVVKZVIHKQNF-RHSMWYFYSA-N 2 2 308.491 3.218 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626641 434413614 /nfs/dbraw/zinc/41/36/14/434413614.db2.gz KBCWUJGPXDVNHW-WFASDCNBSA-N 2 2 314.832 3.098 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626641 434413622 /nfs/dbraw/zinc/41/36/22/434413622.db2.gz KBCWUJGPXDVNHW-WFASDCNBSA-N 2 2 314.832 3.098 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000395128375 434415512 /nfs/dbraw/zinc/41/55/12/434415512.db2.gz PNBWUFCKFQLXNY-DOMZBBRYSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000395128375 434415520 /nfs/dbraw/zinc/41/55/20/434415520.db2.gz PNBWUFCKFQLXNY-DOMZBBRYSA-N 2 2 311.267 3.317 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)CCC[NH2+]1 ZINC000423417542 434416677 /nfs/dbraw/zinc/41/66/77/434416677.db2.gz SOXVGVZYYSAOFY-RTBURBONSA-N 2 2 316.445 3.488 20 0 DGADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC000438123106 434418659 /nfs/dbraw/zinc/41/86/59/434418659.db2.gz XJNHAGUHWZPSSH-AWEZNQCLSA-N 2 2 301.409 3.225 20 0 DGADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC000438123106 434418668 /nfs/dbraw/zinc/41/86/68/434418668.db2.gz XJNHAGUHWZPSSH-AWEZNQCLSA-N 2 2 301.409 3.225 20 0 DGADLP CC(C)[C@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H](C)[NH3+] ZINC000423432119 434419128 /nfs/dbraw/zinc/41/91/28/434419128.db2.gz QQRRCTJZTWRASI-GUYCJALGSA-N 2 2 313.401 3.432 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000353772638 434420196 /nfs/dbraw/zinc/42/01/96/434420196.db2.gz VMDIKWATRMYDFE-UHFFFAOYSA-N 2 2 310.869 3.103 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)sc2c1 ZINC000353771219 434420909 /nfs/dbraw/zinc/42/09/09/434420909.db2.gz AWEAYBWFXJZNFF-CHWSQXEVSA-N 2 2 319.474 3.267 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000348632108 434420995 /nfs/dbraw/zinc/42/09/95/434420995.db2.gz GXPDOWBJOXHFBR-HIFRSBDPSA-N 2 2 318.852 3.046 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)CCC[NH2+]1 ZINC000423431403 434420973 /nfs/dbraw/zinc/42/09/73/434420973.db2.gz QMKOFRFTEORQDG-DNVCBOLYSA-N 2 2 316.445 3.469 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000423427234 434421782 /nfs/dbraw/zinc/42/17/82/434421782.db2.gz NNZFVGHLKPETLL-IAQYHMDHSA-N 2 2 317.260 3.413 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340904651 434423410 /nfs/dbraw/zinc/42/34/10/434423410.db2.gz NBKJNNQBRIRTON-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000340904651 434423417 /nfs/dbraw/zinc/42/34/17/434423417.db2.gz NBKJNNQBRIRTON-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879462 434423367 /nfs/dbraw/zinc/42/33/67/434423367.db2.gz GVGGIGZNTSUQFA-MJGOQNOKSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395879462 434423376 /nfs/dbraw/zinc/42/33/76/434423376.db2.gz GVGGIGZNTSUQFA-MJGOQNOKSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1OCc1ccccc1 ZINC000423440002 434424020 /nfs/dbraw/zinc/42/40/20/434424020.db2.gz SSCSKCPPYYJJCB-QKUWSGOFSA-N 2 2 308.425 3.134 20 0 DGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423438536 434424334 /nfs/dbraw/zinc/42/43/34/434424334.db2.gz UYXPKBDWZRIGMC-RISCZKNCSA-N 2 2 302.871 3.211 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423438457 434424793 /nfs/dbraw/zinc/42/47/93/434424793.db2.gz UVZBKOYXLNXSAP-OALUTQOASA-N 2 2 308.425 3.159 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(OCCC)c1 ZINC000423441127 434425646 /nfs/dbraw/zinc/42/56/46/434425646.db2.gz UHRNIGMUPLTCDS-CKNFYHOISA-N 2 2 318.461 3.133 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423438456 434425758 /nfs/dbraw/zinc/42/57/58/434425758.db2.gz UVZBKOYXLNXSAP-MOPGFXCFSA-N 2 2 308.425 3.159 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423443669 434427464 /nfs/dbraw/zinc/42/74/64/434427464.db2.gz XEIZXTYACKPMKO-OXQOHEQNSA-N 2 2 309.457 3.269 20 0 DGADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423444560 434429633 /nfs/dbraw/zinc/42/96/33/434429633.db2.gz XWKBHVCSJXLQIT-RHSMWYFYSA-N 2 2 308.491 3.218 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000438191081 434433964 /nfs/dbraw/zinc/43/39/64/434433964.db2.gz PRXSNHIFCSKRFH-OAHLLOKOSA-N 2 2 322.468 3.236 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000397427362 434436094 /nfs/dbraw/zinc/43/60/94/434436094.db2.gz XGBKWVNCNFRAPV-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000397427362 434436105 /nfs/dbraw/zinc/43/61/05/434436105.db2.gz XGBKWVNCNFRAPV-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000397325181 434438686 /nfs/dbraw/zinc/43/86/86/434438686.db2.gz UVVXBOYZBYGMRF-OUAUKWLOSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000397325181 434438688 /nfs/dbraw/zinc/43/86/88/434438688.db2.gz UVVXBOYZBYGMRF-OUAUKWLOSA-N 2 2 317.296 3.316 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423475748 434441636 /nfs/dbraw/zinc/44/16/36/434441636.db2.gz RYXUXLGZZLECKX-WFASDCNBSA-N 2 2 303.475 3.430 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cc2c(ccc3ccccc23)o1 ZINC000423511149 434465053 /nfs/dbraw/zinc/46/50/53/434465053.db2.gz JWLCQKINDXEOAW-GOEBONIOSA-N 2 2 323.440 3.140 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)sc1Cl ZINC000423518487 434471067 /nfs/dbraw/zinc/47/10/67/434471067.db2.gz OSJPSKWFKWMOPC-RKDXNWHRSA-N 2 2 309.262 3.084 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423526435 434474126 /nfs/dbraw/zinc/47/41/26/434474126.db2.gz QMAUWYVDQOYYAE-BXUZGUMPSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Cl ZINC000423525991 434474220 /nfs/dbraw/zinc/47/42/20/434474220.db2.gz USOXESZHCSILNK-QWRGUYRKSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1N(C)C ZINC000423526040 434475211 /nfs/dbraw/zinc/47/52/11/434475211.db2.gz KWZOGLJDMSADND-AYOQOUSVSA-N 2 2 309.457 3.159 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2F)s1 ZINC000423527525 434475405 /nfs/dbraw/zinc/47/54/05/434475405.db2.gz RQRWWYIXISHNGF-CHWSQXEVSA-N 2 2 320.433 3.193 20 0 DGADLP CC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000423531290 434477580 /nfs/dbraw/zinc/47/75/80/434477580.db2.gz SGZYUUSQZWOEDX-IBGZPJMESA-N 3 2 315.505 3.148 20 0 DGADLP Cc1c[nH+]c(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1C ZINC000341006053 434480633 /nfs/dbraw/zinc/48/06/33/434480633.db2.gz GQKQZWPBKUMQLR-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423546407 434484290 /nfs/dbraw/zinc/48/42/90/434484290.db2.gz DEMWUZLKHQLSGC-HIFRSBDPSA-N 2 2 310.397 3.225 20 0 DGADLP Cc1cc(N2CC[NH+](CCC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000522209052 294910915 /nfs/dbraw/zinc/91/09/15/294910915.db2.gz XVWRNZYDKMVSQN-UHFFFAOYSA-N 2 2 304.482 3.467 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000348703549 434451717 /nfs/dbraw/zinc/45/17/17/434451717.db2.gz QSYCCLMBRKVFRP-LMCOJAPRSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000348703549 434451726 /nfs/dbraw/zinc/45/17/26/434451726.db2.gz QSYCCLMBRKVFRP-LMCOJAPRSA-N 2 2 316.489 3.038 20 0 DGADLP CC(C)Cc1ccc([C@@H](C[NH2+]C2CCOCC2)[NH+](C)C)cc1 ZINC000348704539 434452933 /nfs/dbraw/zinc/45/29/33/434452933.db2.gz RNNFBFTZDNJNFI-LJQANCHMSA-N 2 2 304.478 3.256 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398138243 434454589 /nfs/dbraw/zinc/45/45/89/434454589.db2.gz LOGAQNFZAICMIH-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398138243 434454597 /nfs/dbraw/zinc/45/45/97/434454597.db2.gz LOGAQNFZAICMIH-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)cn1 ZINC000287812730 434454820 /nfs/dbraw/zinc/45/48/20/434454820.db2.gz USUSUNLZLFSXSD-LBPRGKRZSA-N 2 2 309.429 3.143 20 0 DGADLP COC1(C[N@H+](C)CCC[NH+](C)Cc2ccco2)CCCCC1 ZINC000348818901 434511455 /nfs/dbraw/zinc/51/14/55/434511455.db2.gz TYAICZXWUPNZOP-UHFFFAOYSA-N 2 2 308.466 3.383 20 0 DGADLP COC1(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)CCCCC1 ZINC000348818901 434511459 /nfs/dbraw/zinc/51/14/59/434511459.db2.gz TYAICZXWUPNZOP-UHFFFAOYSA-N 2 2 308.466 3.383 20 0 DGADLP COC1(C[NH+](C)CCC[N@H+](C)Cc2ccco2)CCCCC1 ZINC000348818901 434511471 /nfs/dbraw/zinc/51/14/71/434511471.db2.gz TYAICZXWUPNZOP-UHFFFAOYSA-N 2 2 308.466 3.383 20 0 DGADLP COC1(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)CCCCC1 ZINC000348818901 434511477 /nfs/dbraw/zinc/51/14/77/434511477.db2.gz TYAICZXWUPNZOP-UHFFFAOYSA-N 2 2 308.466 3.383 20 0 DGADLP C[C@@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)Cc1ccccc1 ZINC000348833043 434517209 /nfs/dbraw/zinc/51/72/09/434517209.db2.gz LLLBMINHQRYJLA-MRXNPFEDSA-N 2 2 306.413 3.617 20 0 DGADLP c1cn(Cc2ccc(NCCCCOc3ccccc3)[nH+]c2)c[nH+]1 ZINC000348835336 434517566 /nfs/dbraw/zinc/51/75/66/434517566.db2.gz UCTWBJSIHSIKJX-UHFFFAOYSA-N 2 2 322.412 3.598 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000341061762 434519858 /nfs/dbraw/zinc/51/98/58/434519858.db2.gz XWZKKYYKKPSVKA-IXDOHACOSA-N 2 2 314.477 3.099 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000341061762 434519868 /nfs/dbraw/zinc/51/98/68/434519868.db2.gz XWZKKYYKKPSVKA-IXDOHACOSA-N 2 2 314.477 3.099 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000450994073 434521697 /nfs/dbraw/zinc/52/16/97/434521697.db2.gz XQRQFUZQYMMBCZ-OAHLLOKOSA-N 2 2 308.429 3.346 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000450994073 434521705 /nfs/dbraw/zinc/52/17/05/434521705.db2.gz XQRQFUZQYMMBCZ-OAHLLOKOSA-N 2 2 308.429 3.346 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000353913496 434521781 /nfs/dbraw/zinc/52/17/81/434521781.db2.gz JCRLLAXWZZRODG-XNYRCJLNSA-N 2 2 324.509 3.351 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000353913496 434521793 /nfs/dbraw/zinc/52/17/93/434521793.db2.gz JCRLLAXWZZRODG-XNYRCJLNSA-N 2 2 324.509 3.351 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[NH+]1CCCCCC1 ZINC000360118908 434526063 /nfs/dbraw/zinc/52/60/63/434526063.db2.gz LMQXDTAEIWSQNG-CQSZACIVSA-N 2 2 312.417 3.280 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c[nH+]1 ZINC000353925033 434527702 /nfs/dbraw/zinc/52/77/02/434527702.db2.gz CJGQFCXHXQIOQE-IBGZPJMESA-N 2 2 315.436 3.354 20 0 DGADLP C[C@]1([NH2+]Cc2cc(O)cc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000405980048 434529894 /nfs/dbraw/zinc/52/98/94/434529894.db2.gz ZHHOQMGYMHWHTP-IBGZPJMESA-N 2 2 314.404 3.286 20 0 DGADLP C[C@]1([NH2+]Cc2cc(O)cc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000405980048 434529903 /nfs/dbraw/zinc/52/99/03/434529903.db2.gz ZHHOQMGYMHWHTP-IBGZPJMESA-N 2 2 314.404 3.286 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](C)N2CCc3ccccc32)c[nH+]1 ZINC000353932078 434532685 /nfs/dbraw/zinc/53/26/85/434532685.db2.gz LLOUCDAPKZMRRD-KRWDZBQOSA-N 2 2 309.457 3.363 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c[nH+]1 ZINC000348864912 434534019 /nfs/dbraw/zinc/53/40/19/434534019.db2.gz CPSCQYYNEGGNRI-HNNXBMFYSA-N 2 2 316.367 3.102 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c[nH+]1 ZINC000348864912 434534027 /nfs/dbraw/zinc/53/40/27/434534027.db2.gz CPSCQYYNEGGNRI-HNNXBMFYSA-N 2 2 316.367 3.102 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000417852656 434535236 /nfs/dbraw/zinc/53/52/36/434535236.db2.gz ZXUHKFOPVJVEAA-QGZVFWFLSA-N 2 2 322.880 3.462 20 0 DGADLP Cc1cccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccccc3)n21 ZINC000348902373 434548574 /nfs/dbraw/zinc/54/85/74/434548574.db2.gz BQTABVNPYQPIAP-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP CC(C)C[C@@H](CNc1cc[nH+]c2ccsc21)[NH+]1CCOCC1 ZINC000360220475 434550446 /nfs/dbraw/zinc/55/04/46/434550446.db2.gz ZYNAFEMJPYOYIY-AWEZNQCLSA-N 2 2 319.474 3.455 20 0 DGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)oc2cc1C ZINC000360244025 434559039 /nfs/dbraw/zinc/55/90/39/434559039.db2.gz YQOMAIWKCMWYIT-RDJZCZTQSA-N 2 2 316.445 3.157 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000360250995 434561605 /nfs/dbraw/zinc/56/16/05/434561605.db2.gz QWDCVDLSKJVKHZ-IBGZPJMESA-N 2 2 310.441 3.404 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000360250995 434561610 /nfs/dbraw/zinc/56/16/10/434561610.db2.gz QWDCVDLSKJVKHZ-IBGZPJMESA-N 2 2 310.441 3.404 20 0 DGADLP FC(F)(F)c1sccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000527696152 295116899 /nfs/dbraw/zinc/11/68/99/295116899.db2.gz STNACZJHVWOXRQ-SNVBAGLBSA-N 2 2 301.337 3.068 20 0 DGADLP COc1ccc([C@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)C2CC2)cn1 ZINC000527842002 295138863 /nfs/dbraw/zinc/13/88/63/295138863.db2.gz SXGQTNANSAYPEC-LJQANCHMSA-N 2 2 322.412 3.287 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378092 434574055 /nfs/dbraw/zinc/57/40/55/434574055.db2.gz PYMZTGSPZUGNHM-HOTGVXAUSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cc(Cl)cn2)C1 ZINC000459378092 434574062 /nfs/dbraw/zinc/57/40/62/434574062.db2.gz PYMZTGSPZUGNHM-HOTGVXAUSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000459378092 434574067 /nfs/dbraw/zinc/57/40/67/434574067.db2.gz PYMZTGSPZUGNHM-HOTGVXAUSA-N 2 2 324.900 3.123 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000459378092 434574072 /nfs/dbraw/zinc/57/40/72/434574072.db2.gz PYMZTGSPZUGNHM-HOTGVXAUSA-N 2 2 324.900 3.123 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000527893712 295146523 /nfs/dbraw/zinc/14/65/23/295146523.db2.gz FIAPOUCITUOIER-HZPDHXFCSA-N 2 2 303.450 3.181 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000527893712 295146524 /nfs/dbraw/zinc/14/65/24/295146524.db2.gz FIAPOUCITUOIER-HZPDHXFCSA-N 2 2 303.450 3.181 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C(C)C)c1 ZINC000527905811 295148487 /nfs/dbraw/zinc/14/84/87/295148487.db2.gz VWMRCQUFGNKACY-RBUKOAKNSA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C(C)C)c1 ZINC000527905811 295148488 /nfs/dbraw/zinc/14/84/88/295148488.db2.gz VWMRCQUFGNKACY-RBUKOAKNSA-N 2 2 304.478 3.129 20 0 DGADLP CC(C)c1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000527905231 295148512 /nfs/dbraw/zinc/14/85/12/295148512.db2.gz SNWJSSKZYVQXPW-VQIMIIECSA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1 ZINC000527905231 295148514 /nfs/dbraw/zinc/14/85/14/295148514.db2.gz SNWJSSKZYVQXPW-VQIMIIECSA-N 2 2 304.478 3.307 20 0 DGADLP c1cc(NC2CC[NH+](C3CC3)CC2)[nH+]cc1N1CCCCC1 ZINC000459368256 434569222 /nfs/dbraw/zinc/56/92/22/434569222.db2.gz GGOUXLSGQBGIGE-UHFFFAOYSA-N 2 2 300.450 3.111 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)[nH+]1 ZINC000408464452 434578096 /nfs/dbraw/zinc/57/80/96/434578096.db2.gz IDFDSQSPERJBAB-CQSZACIVSA-N 2 2 313.405 3.141 20 0 DGADLP Fc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO2)cc1 ZINC000459402699 434581559 /nfs/dbraw/zinc/58/15/59/434581559.db2.gz ZTZYVQALQXQMMG-OALUTQOASA-N 2 2 318.436 3.262 20 0 DGADLP Cc1ccc2sc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)nc2c1 ZINC000528426494 295212596 /nfs/dbraw/zinc/21/25/96/295212596.db2.gz LCADSYNBXOREHH-CYBMUJFWSA-N 2 2 312.442 3.328 20 0 DGADLP Cc1ccc2sc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)nc2c1 ZINC000528426494 295212598 /nfs/dbraw/zinc/21/25/98/295212598.db2.gz LCADSYNBXOREHH-CYBMUJFWSA-N 2 2 312.442 3.328 20 0 DGADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC(F)F)ccc1Oc1cc[nH+]cc1 ZINC000423906991 434575130 /nfs/dbraw/zinc/57/51/30/434575130.db2.gz NRKJNNVJPOEOIE-ZDUSSCGKSA-N 2 2 321.327 3.103 20 0 DGADLP [NH3+]CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000423189732 295234521 /nfs/dbraw/zinc/23/45/21/295234521.db2.gz RHDHLNMATOWKGI-OAHLLOKOSA-N 2 2 312.310 3.482 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000166247430 295276429 /nfs/dbraw/zinc/27/64/29/295276429.db2.gz IVLULAINQXZIGN-QWQRMKEZSA-N 2 2 316.445 3.124 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000166247430 295276431 /nfs/dbraw/zinc/27/64/31/295276431.db2.gz IVLULAINQXZIGN-QWQRMKEZSA-N 2 2 316.445 3.124 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)Cc1c[nH+]c2cccc(C)n12 ZINC000349044679 434585909 /nfs/dbraw/zinc/58/59/09/434585909.db2.gz XVVGBPHFYLLADQ-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459569376 434612575 /nfs/dbraw/zinc/61/25/75/434612575.db2.gz NAKMHVFPJSHPQA-VDHUWJSZSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459569376 434612587 /nfs/dbraw/zinc/61/25/87/434612587.db2.gz NAKMHVFPJSHPQA-VDHUWJSZSA-N 2 2 322.518 3.006 20 0 DGADLP CC(C)[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000354090022 434614867 /nfs/dbraw/zinc/61/48/67/434614867.db2.gz HKJNRKNSBHWVIW-QGZVFWFLSA-N 2 2 302.397 3.405 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000349145926 434621577 /nfs/dbraw/zinc/62/15/77/434621577.db2.gz FUACQXZHQPNBIB-SNVBAGLBSA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000349145926 434621582 /nfs/dbraw/zinc/62/15/82/434621582.db2.gz FUACQXZHQPNBIB-SNVBAGLBSA-N 2 2 315.364 3.490 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354109052 434622390 /nfs/dbraw/zinc/62/23/90/434622390.db2.gz IIXSXJQRJNEXBG-GOEBONIOSA-N 2 2 323.506 3.158 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354109052 434622397 /nfs/dbraw/zinc/62/23/97/434622397.db2.gz IIXSXJQRJNEXBG-GOEBONIOSA-N 2 2 323.506 3.158 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354109409 434624508 /nfs/dbraw/zinc/62/45/08/434624508.db2.gz KNMUJVCHSIZWFJ-LSDHHAIUSA-N 2 2 321.534 3.432 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354109409 434624517 /nfs/dbraw/zinc/62/45/17/434624517.db2.gz KNMUJVCHSIZWFJ-LSDHHAIUSA-N 2 2 321.534 3.432 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](CO)CC3CCCCC3)c[nH+]c12 ZINC000418126930 434597478 /nfs/dbraw/zinc/59/74/78/434597478.db2.gz MVDPLHKOCRYLPK-INIZCTEOSA-N 2 2 301.434 3.064 20 0 DGADLP CCC[N@H+](CC(C)C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409448020 434603375 /nfs/dbraw/zinc/60/33/75/434603375.db2.gz GMKLOJAWVXUIIR-QGZVFWFLSA-N 2 2 317.477 3.382 20 0 DGADLP CCC[N@@H+](CC(C)C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409448020 434603385 /nfs/dbraw/zinc/60/33/85/434603385.db2.gz GMKLOJAWVXUIIR-QGZVFWFLSA-N 2 2 317.477 3.382 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(-c2ccccc2)nc1C ZINC000349361540 434691159 /nfs/dbraw/zinc/69/11/59/434691159.db2.gz BLVQMKMHMITFAG-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000424329909 434698723 /nfs/dbraw/zinc/69/87/23/434698723.db2.gz HGFPDDPWKCWMTD-CHWSQXEVSA-N 2 2 317.658 3.462 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000354181382 434659540 /nfs/dbraw/zinc/65/95/40/434659540.db2.gz LYPLNNZLBWJOBT-JFIYKMOQSA-N 3 2 303.494 3.279 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2cc(Cl)ccc2n1C ZINC000349386998 434699489 /nfs/dbraw/zinc/69/94/89/434699489.db2.gz UEAZCUFHYCZRSI-UHFFFAOYSA-N 2 2 322.884 3.390 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2cc(Cl)ccc2n1C ZINC000349386998 434699497 /nfs/dbraw/zinc/69/94/97/434699497.db2.gz UEAZCUFHYCZRSI-UHFFFAOYSA-N 2 2 322.884 3.390 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205797 434667810 /nfs/dbraw/zinc/66/78/10/434667810.db2.gz JCLRSPJTTRUDMF-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205797 434667820 /nfs/dbraw/zinc/66/78/20/434667820.db2.gz JCLRSPJTTRUDMF-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205797 434667824 /nfs/dbraw/zinc/66/78/24/434667824.db2.gz JCLRSPJTTRUDMF-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C ZINC000354205797 434667830 /nfs/dbraw/zinc/66/78/30/434667830.db2.gz JCLRSPJTTRUDMF-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000424275832 434671771 /nfs/dbraw/zinc/67/17/71/434671771.db2.gz COJYSMDITPHFNF-VXGBXAGGSA-N 2 2 305.809 3.211 20 0 DGADLP FC(F)C1CCC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000459715839 434673578 /nfs/dbraw/zinc/67/35/78/434673578.db2.gz RLHHMSNJJYBYJJ-UHFFFAOYSA-N 2 2 323.431 3.460 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225016 434679218 /nfs/dbraw/zinc/67/92/18/434679218.db2.gz PSJXEQISEBZULB-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225016 434679223 /nfs/dbraw/zinc/67/92/23/434679223.db2.gz PSJXEQISEBZULB-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225016 434679231 /nfs/dbraw/zinc/67/92/31/434679231.db2.gz PSJXEQISEBZULB-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000354225016 434679234 /nfs/dbraw/zinc/67/92/34/434679234.db2.gz PSJXEQISEBZULB-CZUORRHYSA-N 2 2 323.868 3.083 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000349346144 434683221 /nfs/dbraw/zinc/68/32/21/434683221.db2.gz XGDIBQWCFCHXJN-BJMVHTGZSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000349346144 434683230 /nfs/dbraw/zinc/68/32/30/434683230.db2.gz XGDIBQWCFCHXJN-BJMVHTGZSA-N 2 2 302.462 3.368 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc2c1OCCCO2 ZINC000349349451 434683741 /nfs/dbraw/zinc/68/37/41/434683741.db2.gz OFRFBYKTWCBGJG-UHFFFAOYSA-N 2 2 320.477 3.402 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2c1OCCCO2 ZINC000349349451 434683747 /nfs/dbraw/zinc/68/37/47/434683747.db2.gz OFRFBYKTWCBGJG-UHFFFAOYSA-N 2 2 320.477 3.402 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000349346146 434684398 /nfs/dbraw/zinc/68/43/98/434684398.db2.gz XGDIBQWCFCHXJN-SVUBNXHSSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000349346146 434684403 /nfs/dbraw/zinc/68/44/03/434684403.db2.gz XGDIBQWCFCHXJN-SVUBNXHSSA-N 2 2 302.462 3.368 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cn(-c2ccccc2)nc1C ZINC000349361540 434691155 /nfs/dbraw/zinc/69/11/55/434691155.db2.gz BLVQMKMHMITFAG-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP Cc1nc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc[nH+]1 ZINC000360973182 434749151 /nfs/dbraw/zinc/74/91/51/434749151.db2.gz IGFDKARJCVPHOV-HNNXBMFYSA-N 2 2 310.445 3.051 20 0 DGADLP Cc1nc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc[nH+]1 ZINC000360973182 434749155 /nfs/dbraw/zinc/74/91/55/434749155.db2.gz IGFDKARJCVPHOV-HNNXBMFYSA-N 2 2 310.445 3.051 20 0 DGADLP Cc1nc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc[nH+]1 ZINC000360975643 434752522 /nfs/dbraw/zinc/75/25/22/434752522.db2.gz VVIXDLZWMPPBRN-OAHLLOKOSA-N 2 2 310.445 3.193 20 0 DGADLP Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc[nH+]1 ZINC000360975643 434752529 /nfs/dbraw/zinc/75/25/29/434752529.db2.gz VVIXDLZWMPPBRN-OAHLLOKOSA-N 2 2 310.445 3.193 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)o1 ZINC000349403563 434704235 /nfs/dbraw/zinc/70/42/35/434704235.db2.gz CYEGNZMCDBUAMZ-UHFFFAOYSA-N 2 2 303.244 3.206 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)o1 ZINC000349403563 434704239 /nfs/dbraw/zinc/70/42/39/434704239.db2.gz CYEGNZMCDBUAMZ-UHFFFAOYSA-N 2 2 303.244 3.206 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C(C)(C)C)nc1 ZINC000349416140 434710096 /nfs/dbraw/zinc/71/00/96/434710096.db2.gz JTRKQOIARXIUNO-UHFFFAOYSA-N 2 2 304.482 3.082 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C(C)(C)C)nc1 ZINC000349416140 434710108 /nfs/dbraw/zinc/71/01/08/434710108.db2.gz JTRKQOIARXIUNO-UHFFFAOYSA-N 2 2 304.482 3.082 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OC(F)(F)F ZINC000349412288 434710803 /nfs/dbraw/zinc/71/08/03/434710803.db2.gz YVOFGBVIIZJINM-UHFFFAOYSA-N 2 2 304.356 3.359 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OC(F)(F)F ZINC000349412288 434710807 /nfs/dbraw/zinc/71/08/07/434710807.db2.gz YVOFGBVIIZJINM-UHFFFAOYSA-N 2 2 304.356 3.359 20 0 DGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1c[nH+]c2ccc(C)cn12 ZINC000460674676 434765963 /nfs/dbraw/zinc/76/59/63/434765963.db2.gz WTFKAJNARYYOTF-UHFFFAOYSA-N 2 2 319.412 3.933 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000442765740 434770165 /nfs/dbraw/zinc/77/01/65/434770165.db2.gz JRGKFIWMKQEVIL-CVEARBPZSA-N 2 2 322.518 3.152 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2c1 ZINC000411317900 434760557 /nfs/dbraw/zinc/76/05/57/434760557.db2.gz CSAOOPIODFLABI-XLIONFOSSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000411317900 434760562 /nfs/dbraw/zinc/76/05/62/434760562.db2.gz CSAOOPIODFLABI-XLIONFOSSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317900 434760565 /nfs/dbraw/zinc/76/05/65/434760565.db2.gz CSAOOPIODFLABI-XLIONFOSSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317900 434760571 /nfs/dbraw/zinc/76/05/71/434760571.db2.gz CSAOOPIODFLABI-XLIONFOSSA-N 2 2 309.457 3.459 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1F ZINC000371980301 434780131 /nfs/dbraw/zinc/78/01/31/434780131.db2.gz XLCUECTZTOONQM-RDJZCZTQSA-N 2 2 317.408 3.347 20 0 DGADLP C[C@H](CCNc1cc[nH+]c2ccncc12)[N@H+](C)Cc1ccccc1 ZINC000444078507 434783302 /nfs/dbraw/zinc/78/33/02/434783302.db2.gz WNAXIMLRMGJUII-MRXNPFEDSA-N 2 2 320.440 3.374 20 0 DGADLP C[C@H](CCNc1cc[nH+]c2ccncc12)[N@@H+](C)Cc1ccccc1 ZINC000444078507 434783308 /nfs/dbraw/zinc/78/33/08/434783308.db2.gz WNAXIMLRMGJUII-MRXNPFEDSA-N 2 2 320.440 3.374 20 0 DGADLP CC[NH+](CC)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453056436 434785706 /nfs/dbraw/zinc/78/57/06/434785706.db2.gz LBSOCAKFJLVHMN-MRXNPFEDSA-N 2 2 320.868 3.094 20 0 DGADLP c1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000453061654 434789222 /nfs/dbraw/zinc/78/92/22/434789222.db2.gz LFKQTCSLRIYJJD-HXUWFJFHSA-N 2 2 314.473 3.187 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000361058101 434782042 /nfs/dbraw/zinc/78/20/42/434782042.db2.gz IJMHOFCPHHUSCF-GXTWGEPZSA-N 2 2 306.475 3.304 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1SC ZINC000361058101 434782047 /nfs/dbraw/zinc/78/20/47/434782047.db2.gz IJMHOFCPHHUSCF-GXTWGEPZSA-N 2 2 306.475 3.304 20 0 DGADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)nc1 ZINC000411579232 434803998 /nfs/dbraw/zinc/80/39/98/434803998.db2.gz DEZQAWBWWLNUOY-ICSRJNTNSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)nc1 ZINC000411579232 434804004 /nfs/dbraw/zinc/80/40/04/434804004.db2.gz DEZQAWBWWLNUOY-ICSRJNTNSA-N 2 2 324.472 3.164 20 0 DGADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc1 ZINC000411579232 434804008 /nfs/dbraw/zinc/80/40/08/434804008.db2.gz DEZQAWBWWLNUOY-ICSRJNTNSA-N 2 2 324.472 3.164 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000453141616 434813434 /nfs/dbraw/zinc/81/34/34/434813434.db2.gz LFSCCAADLACVBP-YZLZLFLDSA-N 2 2 324.472 3.284 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000453141616 434813436 /nfs/dbraw/zinc/81/34/36/434813436.db2.gz LFSCCAADLACVBP-YZLZLFLDSA-N 2 2 324.472 3.284 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000453143036 434816252 /nfs/dbraw/zinc/81/62/52/434816252.db2.gz UTZGMFSUVQRJTL-IRXDYDNUSA-N 2 2 314.477 3.464 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453143036 434816256 /nfs/dbraw/zinc/81/62/56/434816256.db2.gz UTZGMFSUVQRJTL-IRXDYDNUSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000361230401 434834987 /nfs/dbraw/zinc/83/49/87/434834987.db2.gz DVBXBUGZURMJJF-SJORKVTESA-N 2 2 312.885 3.329 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453252065 434840954 /nfs/dbraw/zinc/84/09/54/434840954.db2.gz BONRJPHKRKKQJJ-RBUKOAKNSA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453252065 434840957 /nfs/dbraw/zinc/84/09/57/434840957.db2.gz BONRJPHKRKKQJJ-RBUKOAKNSA-N 2 2 304.478 3.210 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1c1ccccc1 ZINC000453258088 434842821 /nfs/dbraw/zinc/84/28/21/434842821.db2.gz HPZMVYVPVWXOOR-IPMKNSEASA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1c1ccccc1 ZINC000453258088 434842825 /nfs/dbraw/zinc/84/28/25/434842825.db2.gz HPZMVYVPVWXOOR-IPMKNSEASA-N 2 2 316.489 3.005 20 0 DGADLP O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944452 434846651 /nfs/dbraw/zinc/84/66/51/434846651.db2.gz NLZAGDDYQHENHV-PMACEKPBSA-N 2 2 319.408 3.180 20 0 DGADLP O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944452 434846653 /nfs/dbraw/zinc/84/66/53/434846653.db2.gz NLZAGDDYQHENHV-PMACEKPBSA-N 2 2 319.408 3.180 20 0 DGADLP CCCC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453275715 434847835 /nfs/dbraw/zinc/84/78/35/434847835.db2.gz XDBUNBVDWHPNHP-RBUKOAKNSA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453275715 434847836 /nfs/dbraw/zinc/84/78/36/434847836.db2.gz XDBUNBVDWHPNHP-RBUKOAKNSA-N 2 2 304.478 3.354 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000372811733 434855801 /nfs/dbraw/zinc/85/58/01/434855801.db2.gz JMNNUVJIOPRVJE-INIZCTEOSA-N 2 2 313.449 3.029 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000372811733 434855805 /nfs/dbraw/zinc/85/58/05/434855805.db2.gz JMNNUVJIOPRVJE-INIZCTEOSA-N 2 2 313.449 3.029 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000553095025 434878853 /nfs/dbraw/zinc/87/88/53/434878853.db2.gz CBOUHXFZYVRPDG-AEFFLSMTSA-N 2 2 324.509 3.208 20 0 DGADLP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000637808436 434885022 /nfs/dbraw/zinc/88/50/22/434885022.db2.gz GBOHHQADVQHXSG-QGZVFWFLSA-N 2 2 314.433 3.219 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000573263648 434885145 /nfs/dbraw/zinc/88/51/45/434885145.db2.gz DUWLORIGEHQKAZ-UHFFFAOYSA-N 2 2 308.429 3.213 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000573263648 434885149 /nfs/dbraw/zinc/88/51/49/434885149.db2.gz DUWLORIGEHQKAZ-UHFFFAOYSA-N 2 2 308.429 3.213 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301704 434919604 /nfs/dbraw/zinc/91/96/04/434919604.db2.gz FLBICODJRUIQRL-MSOLQXFVSA-N 2 2 324.509 3.162 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301704 434919609 /nfs/dbraw/zinc/91/96/09/434919609.db2.gz FLBICODJRUIQRL-MSOLQXFVSA-N 2 2 324.509 3.162 20 0 DGADLP C([NH2+][C@H]1CC[C@H]1C1CC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000554047232 434910099 /nfs/dbraw/zinc/91/00/99/434910099.db2.gz CFABRIMQPSXOGA-ROUUACIJSA-N 2 2 306.494 3.047 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000573912482 434935711 /nfs/dbraw/zinc/93/57/11/434935711.db2.gz WLSNCANAQOSTRN-DNVCBOLYSA-N 2 2 323.440 3.169 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998365 434942909 /nfs/dbraw/zinc/94/29/09/434942909.db2.gz RKMAWRIVEMXVSG-ZBFHGGJFSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998365 434942911 /nfs/dbraw/zinc/94/29/11/434942911.db2.gz RKMAWRIVEMXVSG-ZBFHGGJFSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998365 434942915 /nfs/dbraw/zinc/94/29/15/434942915.db2.gz RKMAWRIVEMXVSG-ZBFHGGJFSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998365 434942919 /nfs/dbraw/zinc/94/29/19/434942919.db2.gz RKMAWRIVEMXVSG-ZBFHGGJFSA-N 2 2 304.434 3.128 20 0 DGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000638122634 434957786 /nfs/dbraw/zinc/95/77/86/434957786.db2.gz NQIJSOJEFFGBSE-RTBURBONSA-N 2 2 324.472 3.078 20 0 DGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000638122634 434957790 /nfs/dbraw/zinc/95/77/90/434957790.db2.gz NQIJSOJEFFGBSE-RTBURBONSA-N 2 2 324.472 3.078 20 0 DGADLP Cc1cc([NH+]2CCCC2)ccc1NCC(C)(C)[NH+]1CCOCC1 ZINC000638186706 434974504 /nfs/dbraw/zinc/97/45/04/434974504.db2.gz YGRFTEBVFGNNIT-UHFFFAOYSA-N 2 2 317.477 3.118 20 0 DGADLP c1ccc(N2CC[C@H](C[N@@H+]3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978646 434922230 /nfs/dbraw/zinc/92/22/30/434922230.db2.gz QFVXMCCKMAKORE-UYAOXDASSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[C@H](C[N@H+]3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978646 434922233 /nfs/dbraw/zinc/92/22/33/434922233.db2.gz QFVXMCCKMAKORE-UYAOXDASSA-N 2 2 313.489 3.073 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000554402872 434926659 /nfs/dbraw/zinc/92/66/59/434926659.db2.gz CURVJETWHQMAPS-JCHJZTRSSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000554402872 434926662 /nfs/dbraw/zinc/92/66/62/434926662.db2.gz CURVJETWHQMAPS-JCHJZTRSSA-N 2 2 302.462 3.105 20 0 DGADLP CCCc1nc(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000492196671 434933707 /nfs/dbraw/zinc/93/37/07/434933707.db2.gz ZQXHHVAEDJGKOW-UHFFFAOYSA-N 2 2 310.401 3.411 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1N)Cn1cc[nH+]c1 ZINC000638437514 435031052 /nfs/dbraw/zinc/03/10/52/435031052.db2.gz MUOZSQBPYYCPFS-SNVBAGLBSA-N 2 2 313.232 3.198 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)nc1 ZINC000574606101 434990055 /nfs/dbraw/zinc/99/00/55/434990055.db2.gz FRNGMWPMSVDHOS-UHFFFAOYSA-N 2 2 312.461 3.307 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)nc1 ZINC000574606101 434990060 /nfs/dbraw/zinc/99/00/60/434990060.db2.gz FRNGMWPMSVDHOS-UHFFFAOYSA-N 2 2 312.461 3.307 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc2ccccc2o1 ZINC000638314282 435003300 /nfs/dbraw/zinc/00/33/00/435003300.db2.gz AQKANFMFWMNVQX-AWEZNQCLSA-N 2 2 316.445 3.319 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](CC)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638336793 435006638 /nfs/dbraw/zinc/00/66/38/435006638.db2.gz XPJKBMBRWCCVCU-AJPWXKBRSA-N 2 2 316.489 3.228 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](CC)[N@H+]2CCc3ccccc3C2)C1 ZINC000638336793 435006642 /nfs/dbraw/zinc/00/66/42/435006642.db2.gz XPJKBMBRWCCVCU-AJPWXKBRSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000638333053 435007191 /nfs/dbraw/zinc/00/71/91/435007191.db2.gz NNQMXXAGQIVDHM-XKQJLSEDSA-N 2 2 308.416 3.457 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000638333053 435007196 /nfs/dbraw/zinc/00/71/96/435007196.db2.gz NNQMXXAGQIVDHM-XKQJLSEDSA-N 2 2 308.416 3.457 20 0 DGADLP Cc1[nH+]c2cc(NCc3cn4cc(C)ccc4[nH+]3)ccc2n1C ZINC000556418501 435009227 /nfs/dbraw/zinc/00/92/27/435009227.db2.gz LLCMNJVOJKNEHB-UHFFFAOYSA-N 2 2 305.385 3.450 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccns2)[C@H]1c1cccs1 ZINC000638670820 435066904 /nfs/dbraw/zinc/06/69/04/435066904.db2.gz LJAIZBDVUZYGAR-DOMZBBRYSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccns2)[C@H]1c1cccs1 ZINC000638670820 435066907 /nfs/dbraw/zinc/06/69/07/435066907.db2.gz LJAIZBDVUZYGAR-DOMZBBRYSA-N 2 2 307.488 3.377 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000638669782 435068234 /nfs/dbraw/zinc/06/82/34/435068234.db2.gz BOMVJEPGHMKAQP-WFASDCNBSA-N 2 2 322.503 3.081 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000638669782 435068235 /nfs/dbraw/zinc/06/82/35/435068235.db2.gz BOMVJEPGHMKAQP-WFASDCNBSA-N 2 2 322.503 3.081 20 0 DGADLP COc1cc2cc[nH+]c(N[C@H]3CCn4cc[nH+]c4C3)c2cc1F ZINC000558020569 435075804 /nfs/dbraw/zinc/07/58/04/435075804.db2.gz ZIVSCMMCNQMHSC-LBPRGKRZSA-N 2 2 312.348 3.006 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000578334438 435078027 /nfs/dbraw/zinc/07/80/27/435078027.db2.gz OGIJFVOVSPYMJE-MAUKXSAKSA-N 2 2 318.461 3.341 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1oc2ccccc2c1C)C(C)C ZINC000578334438 435078031 /nfs/dbraw/zinc/07/80/31/435078031.db2.gz OGIJFVOVSPYMJE-MAUKXSAKSA-N 2 2 318.461 3.341 20 0 DGADLP C[C@H](c1cccc2ccccc21)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000531257065 435081471 /nfs/dbraw/zinc/08/14/71/435081471.db2.gz AKDKDSNWXPYEFL-MRXNPFEDSA-N 2 2 320.440 3.442 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2N)C[N@@H+]1Cc1ccccc1 ZINC000638760019 435084509 /nfs/dbraw/zinc/08/45/09/435084509.db2.gz OJTWQXBSLJDJPC-PBHICJAKSA-N 2 2 313.420 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2N)C[N@H+]1Cc1ccccc1 ZINC000638760019 435084513 /nfs/dbraw/zinc/08/45/13/435084513.db2.gz OJTWQXBSLJDJPC-PBHICJAKSA-N 2 2 313.420 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773501 435085984 /nfs/dbraw/zinc/08/59/84/435085984.db2.gz ATVPBNNJLQSVID-YMTOWFKASA-N 2 2 314.260 3.148 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773501 435085988 /nfs/dbraw/zinc/08/59/88/435085988.db2.gz ATVPBNNJLQSVID-YMTOWFKASA-N 2 2 314.260 3.148 20 0 DGADLP CC[C@](C)(C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)OC ZINC000638788801 435089374 /nfs/dbraw/zinc/08/93/74/435089374.db2.gz WXTDLCKHNFUQLQ-CRAIPNDOSA-N 2 2 305.466 3.012 20 0 DGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000556883299 435035838 /nfs/dbraw/zinc/03/58/38/435035838.db2.gz BNEORNSZXWHFOW-VAMGGRTRSA-N 2 2 316.489 3.413 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563783 435053423 /nfs/dbraw/zinc/05/34/23/435053423.db2.gz COOBIPVAINMJBI-FLODPWGTSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638563783 435053426 /nfs/dbraw/zinc/05/34/26/435053426.db2.gz COOBIPVAINMJBI-FLODPWGTSA-N 2 2 310.445 3.012 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000532197348 435148180 /nfs/dbraw/zinc/14/81/80/435148180.db2.gz LDSVHESUPQJKOF-IYOUNJFTSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cccc3Cl)C[C@H](C)O1 ZINC000532197348 435148184 /nfs/dbraw/zinc/14/81/84/435148184.db2.gz LDSVHESUPQJKOF-IYOUNJFTSA-N 2 2 322.880 3.416 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664726 435101921 /nfs/dbraw/zinc/10/19/21/435101921.db2.gz VYNONJZGJWXZCT-KGLIPLIRSA-N 2 2 320.864 3.456 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c2ccccc21 ZINC000578664726 435101923 /nfs/dbraw/zinc/10/19/23/435101923.db2.gz VYNONJZGJWXZCT-KGLIPLIRSA-N 2 2 320.864 3.456 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)OC ZINC000638871294 435110248 /nfs/dbraw/zinc/11/02/48/435110248.db2.gz KUTLGWXAOQLVAL-WMLDXEAASA-N 2 2 303.450 3.157 20 0 DGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531728258 435114741 /nfs/dbraw/zinc/11/47/41/435114741.db2.gz MQDCDSBQMJNDMQ-RDTXWAMCSA-N 2 2 302.462 3.449 20 0 DGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531728258 435114746 /nfs/dbraw/zinc/11/47/46/435114746.db2.gz MQDCDSBQMJNDMQ-RDTXWAMCSA-N 2 2 302.462 3.449 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@H+](C)CCC)cc2[nH+]1 ZINC000531906817 435126596 /nfs/dbraw/zinc/12/65/96/435126596.db2.gz CHXWETXMOZOWIH-UHFFFAOYSA-N 2 2 302.422 3.186 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@@H+](C)CCC)cc2[nH+]1 ZINC000531906817 435126602 /nfs/dbraw/zinc/12/66/02/435126602.db2.gz CHXWETXMOZOWIH-UHFFFAOYSA-N 2 2 302.422 3.186 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000471801896 435138471 /nfs/dbraw/zinc/13/84/71/435138471.db2.gz YQEAIRCEMFIVNN-AEFFLSMTSA-N 2 2 304.478 3.353 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000471801896 435138474 /nfs/dbraw/zinc/13/84/74/435138474.db2.gz YQEAIRCEMFIVNN-AEFFLSMTSA-N 2 2 304.478 3.353 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000559892765 435141053 /nfs/dbraw/zinc/14/10/53/435141053.db2.gz HNVFMVKRRMXDAW-AHRSYUTCSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000559892765 435141056 /nfs/dbraw/zinc/14/10/56/435141056.db2.gz HNVFMVKRRMXDAW-AHRSYUTCSA-N 2 2 316.489 3.371 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000579267166 435141599 /nfs/dbraw/zinc/14/15/99/435141599.db2.gz XMSITDINEQRGHD-WBMJQRKESA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000579267166 435141601 /nfs/dbraw/zinc/14/16/01/435141601.db2.gz XMSITDINEQRGHD-WBMJQRKESA-N 2 2 308.853 3.311 20 0 DGADLP CC1=CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902005 435142940 /nfs/dbraw/zinc/14/29/40/435142940.db2.gz OXTWCTZQVVZILJ-PMACEKPBSA-N 2 2 314.473 3.366 20 0 DGADLP CC1=CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559902005 435142944 /nfs/dbraw/zinc/14/29/44/435142944.db2.gz OXTWCTZQVVZILJ-PMACEKPBSA-N 2 2 314.473 3.366 20 0 DGADLP C[C@]1(C[NH2+]C2CC(n3cccn3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000639072322 435145987 /nfs/dbraw/zinc/14/59/87/435145987.db2.gz VULMMFICLADPLT-SOAGJPPSSA-N 2 2 324.472 3.231 20 0 DGADLP C[C@]1(C[NH2+]C2CC(n3cccn3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000639072322 435145991 /nfs/dbraw/zinc/14/59/91/435145991.db2.gz VULMMFICLADPLT-SOAGJPPSSA-N 2 2 324.472 3.231 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790634 435190553 /nfs/dbraw/zinc/19/05/53/435190553.db2.gz YTSCDVZRCLPWDW-KSSFIOAISA-N 2 2 302.437 3.221 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790634 435190557 /nfs/dbraw/zinc/19/05/57/435190557.db2.gz YTSCDVZRCLPWDW-KSSFIOAISA-N 2 2 302.437 3.221 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000532987262 435203709 /nfs/dbraw/zinc/20/37/09/435203709.db2.gz IMCSYVROTDSEGJ-QGZVFWFLSA-N 2 2 324.472 3.307 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000532987262 435203710 /nfs/dbraw/zinc/20/37/10/435203710.db2.gz IMCSYVROTDSEGJ-QGZVFWFLSA-N 2 2 324.472 3.307 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019913 435204700 /nfs/dbraw/zinc/20/47/00/435204700.db2.gz FMJCZNKXMNITQD-HWWITLHISA-N 2 2 318.505 3.046 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019913 435204704 /nfs/dbraw/zinc/20/47/04/435204704.db2.gz FMJCZNKXMNITQD-HWWITLHISA-N 2 2 318.505 3.046 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019913 435204707 /nfs/dbraw/zinc/20/47/07/435204707.db2.gz FMJCZNKXMNITQD-HWWITLHISA-N 2 2 318.505 3.046 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533019913 435204709 /nfs/dbraw/zinc/20/47/09/435204709.db2.gz FMJCZNKXMNITQD-HWWITLHISA-N 2 2 318.505 3.046 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000532246419 435151658 /nfs/dbraw/zinc/15/16/58/435151658.db2.gz KVFDNPDICLTWIR-WQGACYEGSA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000532246419 435151660 /nfs/dbraw/zinc/15/16/60/435151660.db2.gz KVFDNPDICLTWIR-WQGACYEGSA-N 2 2 308.853 3.482 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000474599792 435152415 /nfs/dbraw/zinc/15/24/15/435152415.db2.gz FQCBGCQAXCVRNE-JYJNAYRXSA-N 2 2 319.493 3.290 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CC(n2cccn2)C1)[NH+](C)C ZINC000639092521 435152840 /nfs/dbraw/zinc/15/28/40/435152840.db2.gz VWOYYIJNIOCFCG-RMFNQSEZSA-N 2 2 312.461 3.176 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000474801273 435161701 /nfs/dbraw/zinc/16/17/01/435161701.db2.gz LERLBMKUAZBWHE-VKJFTORMSA-N 2 2 322.518 3.214 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000474823975 435163185 /nfs/dbraw/zinc/16/31/85/435163185.db2.gz XLFPGQFORCKLME-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000474823975 435163188 /nfs/dbraw/zinc/16/31/88/435163188.db2.gz XLFPGQFORCKLME-ZCNNSNEGSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532441006 435166259 /nfs/dbraw/zinc/16/62/59/435166259.db2.gz OKIXHPUYPGVDGN-KDOFPFPSSA-N 2 2 322.880 3.274 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507080 435172121 /nfs/dbraw/zinc/17/21/21/435172121.db2.gz VOBXZKPRVAYGCZ-LPHOPBHVSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507080 435172125 /nfs/dbraw/zinc/17/21/25/435172125.db2.gz VOBXZKPRVAYGCZ-LPHOPBHVSA-N 2 2 304.478 3.302 20 0 DGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]CC2CCSCC2)cc1 ZINC000639149578 435174859 /nfs/dbraw/zinc/17/48/59/435174859.db2.gz NDWWHYBUOAEHHH-QGZVFWFLSA-N 2 2 308.491 3.031 20 0 DGADLP CC[C@](C)(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157159 435176733 /nfs/dbraw/zinc/17/67/33/435176733.db2.gz SACUCGLALKCBBS-MAUKXSAKSA-N 2 2 305.466 3.214 20 0 DGADLP CC[C@](C)(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157159 435176735 /nfs/dbraw/zinc/17/67/35/435176735.db2.gz SACUCGLALKCBBS-MAUKXSAKSA-N 2 2 305.466 3.214 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639154663 435177432 /nfs/dbraw/zinc/17/74/32/435177432.db2.gz MVIFUTSNIPOHAC-ZDUSSCGKSA-N 2 2 302.447 3.056 20 0 DGADLP c1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639154663 435177435 /nfs/dbraw/zinc/17/74/35/435177435.db2.gz MVIFUTSNIPOHAC-ZDUSSCGKSA-N 2 2 302.447 3.056 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574786 435179591 /nfs/dbraw/zinc/17/95/91/435179591.db2.gz OYFUQZLXSDXKBA-GUYCJALGSA-N 2 2 317.864 3.367 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000560574786 435179596 /nfs/dbraw/zinc/17/95/96/435179596.db2.gz OYFUQZLXSDXKBA-GUYCJALGSA-N 2 2 317.864 3.367 20 0 DGADLP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587800 435179898 /nfs/dbraw/zinc/17/98/98/435179898.db2.gz ZEFDPYYCITUFEU-RBUKOAKNSA-N 2 2 316.489 3.327 20 0 DGADLP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587800 435179901 /nfs/dbraw/zinc/17/99/01/435179901.db2.gz ZEFDPYYCITUFEU-RBUKOAKNSA-N 2 2 316.489 3.327 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)on2)cc1 ZINC000561471183 435219679 /nfs/dbraw/zinc/21/96/79/435219679.db2.gz WRCHXDMGWXHZIQ-DLBZAZTESA-N 2 2 311.429 3.319 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3[C@@H]4CC[C@H]3CC[N@H+](C)C4)on2)cc1 ZINC000561471183 435219684 /nfs/dbraw/zinc/21/96/84/435219684.db2.gz WRCHXDMGWXHZIQ-DLBZAZTESA-N 2 2 311.429 3.319 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)on2)cc1 ZINC000561471183 435219687 /nfs/dbraw/zinc/21/96/87/435219687.db2.gz WRCHXDMGWXHZIQ-DLBZAZTESA-N 2 2 311.429 3.319 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)on2)cc1 ZINC000561471183 435219692 /nfs/dbraw/zinc/21/96/92/435219692.db2.gz WRCHXDMGWXHZIQ-DLBZAZTESA-N 2 2 311.429 3.319 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000533310197 435222674 /nfs/dbraw/zinc/22/26/74/435222674.db2.gz UKVREPJZFMBVOS-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000533310197 435222676 /nfs/dbraw/zinc/22/26/76/435222676.db2.gz UKVREPJZFMBVOS-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086548 435250059 /nfs/dbraw/zinc/25/00/59/435250059.db2.gz IMRUZLLLXDGMEM-HOJRLLLISA-N 2 2 312.379 3.437 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086548 435250066 /nfs/dbraw/zinc/25/00/66/435250066.db2.gz IMRUZLLLXDGMEM-HOJRLLLISA-N 2 2 312.379 3.437 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866693 435260287 /nfs/dbraw/zinc/26/02/87/435260287.db2.gz FNDPVCYUYUBIMQ-QGZVFWFLSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866693 435260292 /nfs/dbraw/zinc/26/02/92/435260292.db2.gz FNDPVCYUYUBIMQ-QGZVFWFLSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](OCc3ccccn3)C2)c[nH+]1 ZINC000639339631 435254053 /nfs/dbraw/zinc/25/40/53/435254053.db2.gz IWPFTUPJTMSJCE-IBGZPJMESA-N 2 2 311.429 3.009 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@H](OCc3ccccn3)C2)c[nH+]1 ZINC000639339631 435254061 /nfs/dbraw/zinc/25/40/61/435254061.db2.gz IWPFTUPJTMSJCE-IBGZPJMESA-N 2 2 311.429 3.009 20 0 DGADLP COc1cccc(OC)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375520 435272154 /nfs/dbraw/zinc/27/21/54/435272154.db2.gz WWLNPKYKHUNTQX-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC(C)([NH+]4CCCC4)CC3)cn2c1 ZINC000639375695 435272629 /nfs/dbraw/zinc/27/26/29/435272629.db2.gz ZRWGZZXGOIEFHW-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(-c2cnn(C)c2)c1 ZINC000584160165 435278547 /nfs/dbraw/zinc/27/85/47/435278547.db2.gz HDPBJFJYFVOKKH-HXUWFJFHSA-N 2 2 320.440 3.185 20 0 DGADLP CCOc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1OCC ZINC000639396093 435284322 /nfs/dbraw/zinc/28/43/22/435284322.db2.gz HGWQJHIJMDXFOG-KRWDZBQOSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1OCC ZINC000639396093 435284325 /nfs/dbraw/zinc/28/43/25/435284325.db2.gz HGWQJHIJMDXFOG-KRWDZBQOSA-N 2 2 318.461 3.010 20 0 DGADLP CC(C)O[C@@H](C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396865 435286301 /nfs/dbraw/zinc/28/63/01/435286301.db2.gz KRTGYWCCMCEEKX-MOPGFXCFSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@@H](C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396865 435286304 /nfs/dbraw/zinc/28/63/04/435286304.db2.gz KRTGYWCCMCEEKX-MOPGFXCFSA-N 2 2 302.462 3.179 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648410646 435291650 /nfs/dbraw/zinc/29/16/50/435291650.db2.gz WEUJYDDLSHISQH-MOPGFXCFSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648410646 435291656 /nfs/dbraw/zinc/29/16/56/435291656.db2.gz WEUJYDDLSHISQH-MOPGFXCFSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](CC)CC)CCO1 ZINC000648417397 435293308 /nfs/dbraw/zinc/29/33/08/435293308.db2.gz FIXZBFZKZBBAPG-HSALFYBXSA-N 2 2 318.505 3.487 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438425 435298505 /nfs/dbraw/zinc/29/85/05/435298505.db2.gz FRVOLCWNCQWJTB-KRWDZBQOSA-N 2 2 313.420 3.223 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000648438425 435298511 /nfs/dbraw/zinc/29/85/11/435298511.db2.gz FRVOLCWNCQWJTB-KRWDZBQOSA-N 2 2 313.420 3.223 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000534798595 435301526 /nfs/dbraw/zinc/30/15/26/435301526.db2.gz NLRJPZQRFOYSPH-XDNAFOTISA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000534798595 435301528 /nfs/dbraw/zinc/30/15/28/435301528.db2.gz NLRJPZQRFOYSPH-XDNAFOTISA-N 2 2 306.494 3.188 20 0 DGADLP CCc1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc[nH+]1 ZINC000592454925 435303624 /nfs/dbraw/zinc/30/36/24/435303624.db2.gz YXJHTTXZTCBLES-UHFFFAOYSA-N 2 2 310.445 3.637 20 0 DGADLP CCc1cc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)nc[nH+]1 ZINC000592455804 435303648 /nfs/dbraw/zinc/30/36/48/435303648.db2.gz LTANDWNEXLAHJL-UHFFFAOYSA-N 2 2 324.472 3.883 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2cc1Cl ZINC000643031486 435262787 /nfs/dbraw/zinc/26/27/87/435262787.db2.gz QDPBFXIQHPKLLA-MEBBXXQBSA-N 2 2 305.784 3.216 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCO1 ZINC000648484888 435316045 /nfs/dbraw/zinc/31/60/45/435316045.db2.gz XKGDMXYMMRNFSR-KFKAGJAMSA-N 2 2 317.477 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000599585194 435323918 /nfs/dbraw/zinc/32/39/18/435323918.db2.gz OHVCXRARKGFTOJ-QGZVFWFLSA-N 2 2 322.456 3.678 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000599585194 435323926 /nfs/dbraw/zinc/32/39/26/435323926.db2.gz OHVCXRARKGFTOJ-QGZVFWFLSA-N 2 2 322.456 3.678 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000535314673 435326606 /nfs/dbraw/zinc/32/66/06/435326606.db2.gz QTWLBDFIUPJKHU-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000535314673 435326612 /nfs/dbraw/zinc/32/66/12/435326612.db2.gz QTWLBDFIUPJKHU-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCC2 ZINC000643501663 435338650 /nfs/dbraw/zinc/33/86/50/435338650.db2.gz NHDUJBSZWUKWCV-IUODEOHRSA-N 2 2 313.367 3.210 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643508883 435339146 /nfs/dbraw/zinc/33/91/46/435339146.db2.gz QRLHQXPUYSGAPU-BEFAXECRSA-N 3 2 303.494 3.130 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000643502176 435339387 /nfs/dbraw/zinc/33/93/87/435339387.db2.gz ZGCBDEWTZLCBHI-JSGCOSHPSA-N 2 2 316.367 3.420 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501514 435339587 /nfs/dbraw/zinc/33/95/87/435339587.db2.gz JIXFCUABBVXULM-IUODEOHRSA-N 2 2 316.474 3.306 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000643527437 435343421 /nfs/dbraw/zinc/34/34/21/435343421.db2.gz MXPJWJCERKYLNJ-QMTHXVAHSA-N 2 2 315.255 3.092 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000643529728 435344422 /nfs/dbraw/zinc/34/44/22/435344422.db2.gz QPIYEBSTIVKKDJ-BLLLJJGKSA-N 2 2 319.246 3.475 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1OC(F)F ZINC000643537882 435347513 /nfs/dbraw/zinc/34/75/13/435347513.db2.gz TVLLFLKMGCUVAQ-LSJOCFKGSA-N 2 2 322.758 3.292 20 0 DGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)oc21 ZINC000643537886 435347792 /nfs/dbraw/zinc/34/77/92/435347792.db2.gz TYGFETYMQSGRMI-UBHSHLNASA-N 2 2 306.381 3.182 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccn2)cc1 ZINC000643547652 435348312 /nfs/dbraw/zinc/34/83/12/435348312.db2.gz ITUHRKLONGMOGX-MJGOQNOKSA-N 2 2 307.441 3.435 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000643547550 435349602 /nfs/dbraw/zinc/34/96/02/435349602.db2.gz GUMKFGZCESWGPL-RDJZCZTQSA-N 2 2 324.472 3.412 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000643546137 435349856 /nfs/dbraw/zinc/34/98/56/435349856.db2.gz JGGKKBOZEDQVRU-STQMWFEESA-N 2 2 322.424 3.168 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000643546841 435349940 /nfs/dbraw/zinc/34/99/40/435349940.db2.gz VUBSKXGOGQLOKO-DOTOQJQBSA-N 3 2 310.445 3.198 20 0 DGADLP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000512254342 435350119 /nfs/dbraw/zinc/35/01/19/435350119.db2.gz VCUFCHQYRJKRCB-VJTMMXLYSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000512254342 435350124 /nfs/dbraw/zinc/35/01/24/435350124.db2.gz VCUFCHQYRJKRCB-VJTMMXLYSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000512254342 435350130 /nfs/dbraw/zinc/35/01/30/435350130.db2.gz VCUFCHQYRJKRCB-VJTMMXLYSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000512254342 435350133 /nfs/dbraw/zinc/35/01/33/435350133.db2.gz VCUFCHQYRJKRCB-VJTMMXLYSA-N 2 2 314.473 3.262 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000643547549 435350458 /nfs/dbraw/zinc/35/04/58/435350458.db2.gz GUMKFGZCESWGPL-NVXWUHKLSA-N 2 2 324.472 3.412 20 0 DGADLP COc1cc(C[N@H+](C)Cc2c(C)cc(C)[nH+]c2C)ccc1O ZINC000639477039 435311993 /nfs/dbraw/zinc/31/19/93/435311993.db2.gz PEOBIWBDVXXLQS-UHFFFAOYSA-N 2 2 300.402 3.353 20 0 DGADLP COc1cc(C[N@@H+](C)Cc2c(C)cc(C)[nH+]c2C)ccc1O ZINC000639477039 435311996 /nfs/dbraw/zinc/31/19/96/435311996.db2.gz PEOBIWBDVXXLQS-UHFFFAOYSA-N 2 2 300.402 3.353 20 0 DGADLP CC[C@@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481041916 435406898 /nfs/dbraw/zinc/40/68/98/435406898.db2.gz BGFNPXVSKSJNMA-RBUKOAKNSA-N 2 2 304.478 3.474 20 0 DGADLP C[NH+]1CCC2(CC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)CC1 ZINC000639757147 435409192 /nfs/dbraw/zinc/40/91/92/435409192.db2.gz HCMDQQPYKAADQZ-UHFFFAOYSA-N 2 2 319.396 3.080 20 0 DGADLP C[NH+]1CCC2(CC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)CC1 ZINC000639757147 435409194 /nfs/dbraw/zinc/40/91/94/435409194.db2.gz HCMDQQPYKAADQZ-UHFFFAOYSA-N 2 2 319.396 3.080 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000568273459 435419364 /nfs/dbraw/zinc/41/93/64/435419364.db2.gz SAOBLRANDNZQFX-WMLDXEAASA-N 2 2 318.490 3.261 20 0 DGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000568273459 435419367 /nfs/dbraw/zinc/41/93/67/435419367.db2.gz SAOBLRANDNZQFX-WMLDXEAASA-N 2 2 318.490 3.261 20 0 DGADLP Cc1[nH]c(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]c1C ZINC000568273459 435419373 /nfs/dbraw/zinc/41/93/73/435419373.db2.gz SAOBLRANDNZQFX-WMLDXEAASA-N 2 2 318.490 3.261 20 0 DGADLP CCC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC000648787694 435422371 /nfs/dbraw/zinc/42/23/71/435422371.db2.gz WROAINFTMSOQRD-QGZVFWFLSA-N 2 2 302.462 3.056 20 0 DGADLP CCC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)COC1 ZINC000648787694 435422372 /nfs/dbraw/zinc/42/23/72/435422372.db2.gz WROAINFTMSOQRD-QGZVFWFLSA-N 2 2 302.462 3.056 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000480172117 435368734 /nfs/dbraw/zinc/36/87/34/435368734.db2.gz MIKDHIFUYLLNFT-UHFFFAOYSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000480224591 435372455 /nfs/dbraw/zinc/37/24/55/435372455.db2.gz JPKXCGKURCHFDI-KSZLIROESA-N 2 2 318.505 3.442 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000480224591 435372460 /nfs/dbraw/zinc/37/24/60/435372460.db2.gz JPKXCGKURCHFDI-KSZLIROESA-N 2 2 318.505 3.442 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480277255 435373848 /nfs/dbraw/zinc/37/38/48/435373848.db2.gz KKSZHFMUAVUMEC-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480277255 435373854 /nfs/dbraw/zinc/37/38/54/435373854.db2.gz KKSZHFMUAVUMEC-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000643883566 435377956 /nfs/dbraw/zinc/37/79/56/435377956.db2.gz LDSPELHEKYQKIN-IBGZPJMESA-N 2 2 308.510 3.436 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C/C(C)=C\c3ccccc3)CC2)c1 ZINC000513396122 435386812 /nfs/dbraw/zinc/38/68/12/435386812.db2.gz BWKBPZKJBYUAIA-VKAVYKQESA-N 2 2 323.440 3.316 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662164 435388298 /nfs/dbraw/zinc/38/82/98/435388298.db2.gz JTDDMPJOWJZEHN-DZGCQCFKSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000480662164 435388304 /nfs/dbraw/zinc/38/83/04/435388304.db2.gz JTDDMPJOWJZEHN-DZGCQCFKSA-N 2 2 300.368 3.439 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000513466962 435391131 /nfs/dbraw/zinc/39/11/31/435391131.db2.gz NMQGFWPMICWESC-HKUYNNGSSA-N 2 2 316.489 3.497 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000513466962 435391136 /nfs/dbraw/zinc/39/11/36/435391136.db2.gz NMQGFWPMICWESC-HKUYNNGSSA-N 2 2 316.489 3.497 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000536607135 435393210 /nfs/dbraw/zinc/39/32/10/435393210.db2.gz JMRLELDVXNXMHO-UHFFFAOYSA-N 2 2 321.465 3.216 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715993 435398203 /nfs/dbraw/zinc/39/82/03/435398203.db2.gz KYPKTOBQEVQWTE-RDJZCZTQSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715993 435398211 /nfs/dbraw/zinc/39/82/11/435398211.db2.gz KYPKTOBQEVQWTE-RDJZCZTQSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000568837668 435475288 /nfs/dbraw/zinc/47/52/88/435475288.db2.gz RLVNHUKHFXVRSO-ISARSNTHSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000568837668 435475292 /nfs/dbraw/zinc/47/52/92/435475292.db2.gz RLVNHUKHFXVRSO-ISARSNTHSA-N 2 2 302.462 3.197 20 0 DGADLP CCC[N@H+](C)[C@@H](C[NH2+]CC1(O)CCC1)c1ccc(Cl)cc1 ZINC000644644835 435476768 /nfs/dbraw/zinc/47/67/68/435476768.db2.gz JGVNTMTYJPUYGX-INIZCTEOSA-N 2 2 310.869 3.228 20 0 DGADLP CCC[N@@H+](C)[C@@H](C[NH2+]CC1(O)CCC1)c1ccc(Cl)cc1 ZINC000644644835 435476771 /nfs/dbraw/zinc/47/67/71/435476771.db2.gz JGVNTMTYJPUYGX-INIZCTEOSA-N 2 2 310.869 3.228 20 0 DGADLP Cc1cccn2cc(CN3CCC(C)([NH+]4CCCC4)CC3)[nH+]c12 ZINC000639981594 435479150 /nfs/dbraw/zinc/47/91/50/435479150.db2.gz LZYYYAYGJQJNTF-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000568381454 435429154 /nfs/dbraw/zinc/42/91/54/435429154.db2.gz NIHWIVLALMICKH-LLVKDONJSA-N 2 2 315.255 3.108 20 0 DGADLP Fc1cc(C[NH2+]Cc2cnc(C3CC3)o2)ccc1-n1cc[nH+]c1 ZINC000648823272 435430980 /nfs/dbraw/zinc/43/09/80/435430980.db2.gz DNFSDWIJMKKVFH-UHFFFAOYSA-N 2 2 312.348 3.167 20 0 DGADLP CCCCO[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000537293242 435435333 /nfs/dbraw/zinc/43/53/33/435435333.db2.gz JWUFVISNCPCOCM-DLBZAZTESA-N 2 2 315.461 3.450 20 0 DGADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)C[NH+](C)C ZINC000644414899 435440414 /nfs/dbraw/zinc/44/04/14/435440414.db2.gz PXFYZSKMHWPDNR-SNVBAGLBSA-N 2 2 306.784 3.229 20 0 DGADLP COc1cc(F)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000516187438 435519506 /nfs/dbraw/zinc/51/95/06/435519506.db2.gz QTYVKGCRFAJOPP-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(F)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000516187438 435519511 /nfs/dbraw/zinc/51/95/11/435519511.db2.gz QTYVKGCRFAJOPP-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(F)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000516187438 435519516 /nfs/dbraw/zinc/51/95/16/435519516.db2.gz QTYVKGCRFAJOPP-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(F)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000516187438 435519521 /nfs/dbraw/zinc/51/95/21/435519521.db2.gz QTYVKGCRFAJOPP-HNNXBMFYSA-N 2 2 324.440 3.149 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000640016288 435490872 /nfs/dbraw/zinc/49/08/72/435490872.db2.gz XDQFTYHWKNFURK-UHFFFAOYSA-N 2 2 315.383 3.407 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)ccc2n1C ZINC000568996795 435492989 /nfs/dbraw/zinc/49/29/89/435492989.db2.gz BNBNMNCHJWWBSR-HNNXBMFYSA-N 2 2 314.433 3.118 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000484518673 435546654 /nfs/dbraw/zinc/54/66/54/435546654.db2.gz OCPJITWCYOTKGP-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000484518673 435546660 /nfs/dbraw/zinc/54/66/60/435546660.db2.gz OCPJITWCYOTKGP-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CC3([NH3+])CCC3)cc2[nH+]1 ZINC000649297709 435560124 /nfs/dbraw/zinc/56/01/24/435560124.db2.gz RFONNSDHBHAIOL-UHFFFAOYSA-N 2 2 300.406 3.116 20 0 DGADLP Cn1c[nH+]cc1COc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000645077154 435563163 /nfs/dbraw/zinc/56/31/63/435563163.db2.gz DVBMFCPDDHBSCA-UHFFFAOYSA-N 2 2 305.809 3.248 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000516964820 435565859 /nfs/dbraw/zinc/56/58/59/435565859.db2.gz TYCUJLDYQSXWPY-RTBURBONSA-N 2 2 311.429 3.020 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000485724655 435577660 /nfs/dbraw/zinc/57/76/60/435577660.db2.gz ADMUHFFETHDIPE-AEGPPILISA-N 2 2 300.368 3.262 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000485724655 435577662 /nfs/dbraw/zinc/57/76/62/435577662.db2.gz ADMUHFFETHDIPE-AEGPPILISA-N 2 2 300.368 3.262 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649407773 435579910 /nfs/dbraw/zinc/57/99/10/435579910.db2.gz UFWYPIWTAJJXRC-GBESFXJTSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649407773 435579912 /nfs/dbraw/zinc/57/99/12/435579912.db2.gz UFWYPIWTAJJXRC-GBESFXJTSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649407773 435579917 /nfs/dbraw/zinc/57/99/17/435579917.db2.gz UFWYPIWTAJJXRC-GBESFXJTSA-N 2 2 308.510 3.388 20 0 DGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649407773 435579919 /nfs/dbraw/zinc/57/99/19/435579919.db2.gz UFWYPIWTAJJXRC-GBESFXJTSA-N 2 2 308.510 3.388 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000517371347 435592621 /nfs/dbraw/zinc/59/26/21/435592621.db2.gz RSOREBLWVUGICG-GFCCVEGCSA-N 2 2 305.422 3.120 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414928 435581841 /nfs/dbraw/zinc/58/18/41/435581841.db2.gz AECOAFMRXACKRK-CZUORRHYSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414928 435581850 /nfs/dbraw/zinc/58/18/50/435581850.db2.gz AECOAFMRXACKRK-CZUORRHYSA-N 2 2 317.458 3.367 20 0 DGADLP COC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000517204763 435581994 /nfs/dbraw/zinc/58/19/94/435581994.db2.gz CZMVZPULTWXMEO-INIZCTEOSA-N 2 2 307.825 3.294 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415153 435582193 /nfs/dbraw/zinc/58/21/93/435582193.db2.gz LLBPJPLDABDCDI-ZIAGYGMSSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415153 435582197 /nfs/dbraw/zinc/58/21/97/435582197.db2.gz LLBPJPLDABDCDI-ZIAGYGMSSA-N 2 2 317.458 3.367 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000570023147 435582724 /nfs/dbraw/zinc/58/27/24/435582724.db2.gz IUGPROVOJSHJKA-UHFFFAOYSA-N 2 2 305.466 3.024 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@@H]1[NH3+] ZINC000649416550 435582901 /nfs/dbraw/zinc/58/29/01/435582901.db2.gz DPDUSBAFOQSMOJ-JSGCOSHPSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(C)o3)n2)CC[C@@H]1[NH3+] ZINC000649416550 435582903 /nfs/dbraw/zinc/58/29/03/435582903.db2.gz DPDUSBAFOQSMOJ-JSGCOSHPSA-N 2 2 305.447 3.271 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000517371347 435592626 /nfs/dbraw/zinc/59/26/26/435592626.db2.gz RSOREBLWVUGICG-GFCCVEGCSA-N 2 2 305.422 3.120 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1C ZINC000645176417 435586040 /nfs/dbraw/zinc/58/60/40/435586040.db2.gz LMPMCVFYNRZUAL-OAHLLOKOSA-N 2 2 313.449 3.029 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000484513855 435545075 /nfs/dbraw/zinc/54/50/75/435545075.db2.gz VSMVYRNNETYRJJ-BFQNTYOBSA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000484513855 435545078 /nfs/dbraw/zinc/54/50/78/435545078.db2.gz VSMVYRNNETYRJJ-BFQNTYOBSA-N 2 2 308.853 3.482 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000484479369 435545161 /nfs/dbraw/zinc/54/51/61/435545161.db2.gz WQFJHNNEZADJRS-MOPGFXCFSA-N 2 2 318.530 3.343 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C(C)(C)c1ccccc1 ZINC000484467513 435545368 /nfs/dbraw/zinc/54/53/68/435545368.db2.gz AFHXRYZOTWAWDE-QAPCUYQASA-N 2 2 306.519 3.380 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649541842 435619813 /nfs/dbraw/zinc/61/98/13/435619813.db2.gz MFCXIHJUSHYDIC-CRAIPNDOSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649541842 435619818 /nfs/dbraw/zinc/61/98/18/435619818.db2.gz MFCXIHJUSHYDIC-CRAIPNDOSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834250 435620046 /nfs/dbraw/zinc/62/00/46/435620046.db2.gz WGLSSAXLMOVZIG-SWLSCSKDSA-N 2 2 304.825 3.278 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000540834250 435620050 /nfs/dbraw/zinc/62/00/50/435620050.db2.gz WGLSSAXLMOVZIG-SWLSCSKDSA-N 2 2 304.825 3.278 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC(C)C)ccn2)CC1 ZINC000649546997 435621957 /nfs/dbraw/zinc/62/19/57/435621957.db2.gz IBLIWKPFGUOKJW-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC(C)C)ccn2)CC1 ZINC000649546997 435621967 /nfs/dbraw/zinc/62/19/67/435621967.db2.gz IBLIWKPFGUOKJW-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000649565621 435628148 /nfs/dbraw/zinc/62/81/48/435628148.db2.gz NYOZFPKRCFOQHC-MAUKXSAKSA-N 2 2 314.433 3.148 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000649565621 435628149 /nfs/dbraw/zinc/62/81/49/435628149.db2.gz NYOZFPKRCFOQHC-MAUKXSAKSA-N 2 2 314.433 3.148 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C(C)(C)OC)c1cccc(OC)c1 ZINC000645383883 435632492 /nfs/dbraw/zinc/63/24/92/435632492.db2.gz IAUPPYWJOGNDCF-QAPCUYQASA-N 2 2 322.493 3.481 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc3c(n2)CCC3)c[nH+]1 ZINC000518330112 435633770 /nfs/dbraw/zinc/63/37/70/435633770.db2.gz XTQPWDZATPYRPH-UHFFFAOYSA-N 2 2 304.397 3.046 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285847 435596599 /nfs/dbraw/zinc/59/65/99/435596599.db2.gz QNPRKBQCKFJBSE-HOCLYGCPSA-N 2 2 306.413 3.232 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000540285847 435596603 /nfs/dbraw/zinc/59/66/03/435596603.db2.gz QNPRKBQCKFJBSE-HOCLYGCPSA-N 2 2 306.413 3.232 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000645434368 435644295 /nfs/dbraw/zinc/64/42/95/435644295.db2.gz UGZWYWVAXZZVMB-KSSFIOAISA-N 2 2 301.434 3.146 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000645434362 435644507 /nfs/dbraw/zinc/64/45/07/435644507.db2.gz UGZWYWVAXZZVMB-KBXCAEBGSA-N 2 2 301.434 3.146 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC000518768123 435653025 /nfs/dbraw/zinc/65/30/25/435653025.db2.gz HZSQWHGPACOONZ-LJQANCHMSA-N 2 2 304.478 3.058 20 0 DGADLP Cc1cc(C)c(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000518768123 435653031 /nfs/dbraw/zinc/65/30/31/435653031.db2.gz HZSQWHGPACOONZ-LJQANCHMSA-N 2 2 304.478 3.058 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499185 435654239 /nfs/dbraw/zinc/65/42/39/435654239.db2.gz HDYAQDPLXRZMIS-IAGOWNOFSA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499185 435654245 /nfs/dbraw/zinc/65/42/45/435654245.db2.gz HDYAQDPLXRZMIS-IAGOWNOFSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000548035453 435659892 /nfs/dbraw/zinc/65/98/92/435659892.db2.gz KGJLFYIVWAYLJC-MCIONIFRSA-N 2 2 312.417 3.277 20 0 DGADLP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155617 435673410 /nfs/dbraw/zinc/67/34/10/435673410.db2.gz DEBWUWSKOIPAJA-CMKODMSKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155617 435673413 /nfs/dbraw/zinc/67/34/13/435673413.db2.gz DEBWUWSKOIPAJA-CMKODMSKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155617 435673417 /nfs/dbraw/zinc/67/34/17/435673417.db2.gz DEBWUWSKOIPAJA-CMKODMSKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155617 435673420 /nfs/dbraw/zinc/67/34/20/435673420.db2.gz DEBWUWSKOIPAJA-CMKODMSKSA-N 3 2 317.521 3.217 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000548307122 435683861 /nfs/dbraw/zinc/68/38/61/435683861.db2.gz WULLQDPVVDNXQH-AAEUAGOBSA-N 2 2 305.809 3.211 20 0 DGADLP Cc1cccc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441932 435690952 /nfs/dbraw/zinc/69/09/52/435690952.db2.gz WXYPLHHOZVMMSK-WMZOPIPTSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cccc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441932 435690956 /nfs/dbraw/zinc/69/09/56/435690956.db2.gz WXYPLHHOZVMMSK-WMZOPIPTSA-N 2 2 311.429 3.091 20 0 DGADLP Fc1cccc(F)c1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000645807225 435694586 /nfs/dbraw/zinc/69/45/86/435694586.db2.gz NRCLMGSEKSRIIY-HNNXBMFYSA-N 2 2 308.416 3.458 20 0 DGADLP Fc1cccc(F)c1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000645807225 435694589 /nfs/dbraw/zinc/69/45/89/435694589.db2.gz NRCLMGSEKSRIIY-HNNXBMFYSA-N 2 2 308.416 3.458 20 0 DGADLP Fc1cccc(F)c1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000645808502 435695650 /nfs/dbraw/zinc/69/56/50/435695650.db2.gz SSLVCZBIYVHSNR-OAHLLOKOSA-N 2 2 308.416 3.315 20 0 DGADLP Fc1cccc(F)c1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000645808502 435695655 /nfs/dbraw/zinc/69/56/55/435695655.db2.gz SSLVCZBIYVHSNR-OAHLLOKOSA-N 2 2 308.416 3.315 20 0 DGADLP CN(c1ccccc1)c1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000571305890 435697415 /nfs/dbraw/zinc/69/74/15/435697415.db2.gz VCEMADKNHKMXSI-HUUCEWRRSA-N 2 2 311.433 3.174 20 0 DGADLP CN(c1ccccc1)c1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)[nH+]cn1 ZINC000571305888 435697702 /nfs/dbraw/zinc/69/77/02/435697702.db2.gz VCEMADKNHKMXSI-CABCVRRESA-N 2 2 311.433 3.174 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000645829826 435702446 /nfs/dbraw/zinc/70/24/46/435702446.db2.gz YOAQVUCGMOMEJP-IBGZPJMESA-N 2 2 306.413 3.160 20 0 DGADLP Cc1c[nH+]ccc1CCN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000645827234 435700210 /nfs/dbraw/zinc/70/02/10/435700210.db2.gz LGBFVCGHUHKEKG-ZIFCJYIRSA-N 2 2 301.478 3.270 20 0 DGADLP Cc1c[nH+]ccc1CCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000645827234 435700213 /nfs/dbraw/zinc/70/02/13/435700213.db2.gz LGBFVCGHUHKEKG-ZIFCJYIRSA-N 2 2 301.478 3.270 20 0 DGADLP CC[NH+]1CCN(C[C@H](C)CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641302289 435728595 /nfs/dbraw/zinc/72/85/95/435728595.db2.gz NLMIYKVYQHYGOX-MRXNPFEDSA-N 2 2 318.509 3.065 20 0 DGADLP CCN1CC[NH+](C[C@H](C)CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641302289 435728600 /nfs/dbraw/zinc/72/86/00/435728600.db2.gz NLMIYKVYQHYGOX-MRXNPFEDSA-N 2 2 318.509 3.065 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655698098 435732990 /nfs/dbraw/zinc/73/29/90/435732990.db2.gz WHQPYRSXMDMHBU-FUHWJXTLSA-N 2 2 302.462 3.207 20 0 DGADLP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2F)[C@@H]1c1cccs1 ZINC000641394631 435734042 /nfs/dbraw/zinc/73/40/42/435734042.db2.gz NBWDUAOHLPJNCI-BLLLJJGKSA-N 2 2 305.422 3.199 20 0 DGADLP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2F)[C@@H]1c1cccs1 ZINC000641394631 435734051 /nfs/dbraw/zinc/73/40/51/435734051.db2.gz NBWDUAOHLPJNCI-BLLLJJGKSA-N 2 2 305.422 3.199 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000655704575 435737160 /nfs/dbraw/zinc/73/71/60/435737160.db2.gz ZSAOPVXQKMBKKZ-LPHOPBHVSA-N 2 2 302.462 3.207 20 0 DGADLP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000655710637 435743819 /nfs/dbraw/zinc/74/38/19/435743819.db2.gz BEASTNNKKVTOTD-QUCCMNQESA-N 2 2 314.473 3.289 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H](C)c1ccccc1 ZINC000655717871 435745850 /nfs/dbraw/zinc/74/58/50/435745850.db2.gz FHHBZPCTGPIWBO-GJYPPUQNSA-N 2 2 302.462 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000655717373 435748572 /nfs/dbraw/zinc/74/85/72/435748572.db2.gz CPIGELBFHPIRFC-SJORKVTESA-N 2 2 321.428 3.025 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908578 435752410 /nfs/dbraw/zinc/75/24/10/435752410.db2.gz RRNJFQZKSKFSQD-MRXNPFEDSA-N 2 2 303.356 3.412 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908578 435752416 /nfs/dbraw/zinc/75/24/16/435752416.db2.gz RRNJFQZKSKFSQD-MRXNPFEDSA-N 2 2 303.356 3.412 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000655729263 435752735 /nfs/dbraw/zinc/75/27/35/435752735.db2.gz HUCZAHAKMXWGKJ-CRAIPNDOSA-N 2 2 324.415 3.259 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000649793436 435706237 /nfs/dbraw/zinc/70/62/37/435706237.db2.gz HFSDWRHZVMXMMO-SFHVURJKSA-N 2 2 313.445 3.379 20 0 DGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000649793436 435706239 /nfs/dbraw/zinc/70/62/39/435706239.db2.gz HFSDWRHZVMXMMO-SFHVURJKSA-N 2 2 313.445 3.379 20 0 DGADLP CC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000571438749 435706769 /nfs/dbraw/zinc/70/67/69/435706769.db2.gz BBSJSJQIWFFABJ-NSHDSACASA-N 2 2 317.246 3.061 20 0 DGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000571438749 435706774 /nfs/dbraw/zinc/70/67/74/435706774.db2.gz BBSJSJQIWFFABJ-NSHDSACASA-N 2 2 317.246 3.061 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000649794258 435707712 /nfs/dbraw/zinc/70/77/12/435707712.db2.gz FJINEVVGAYLFAH-MRXNPFEDSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000649794258 435707713 /nfs/dbraw/zinc/70/77/13/435707713.db2.gz FJINEVVGAYLFAH-MRXNPFEDSA-N 2 2 301.409 3.199 20 0 DGADLP CC1(C)CC(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000548684263 435708761 /nfs/dbraw/zinc/70/87/61/435708761.db2.gz ZEQMDRCXWOXCQS-UHFFFAOYSA-N 2 2 308.389 3.059 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000548794033 435719181 /nfs/dbraw/zinc/71/91/81/435719181.db2.gz RAWGOBBIZPBRFC-BHIYHBOVSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000548794033 435719184 /nfs/dbraw/zinc/71/91/84/435719184.db2.gz RAWGOBBIZPBRFC-BHIYHBOVSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000548792901 435719528 /nfs/dbraw/zinc/71/95/28/435719528.db2.gz JYZZRWWKDWCLPC-NZSAHSFTSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548792901 435719532 /nfs/dbraw/zinc/71/95/32/435719532.db2.gz JYZZRWWKDWCLPC-NZSAHSFTSA-N 2 2 314.473 3.198 20 0 DGADLP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771197 435788157 /nfs/dbraw/zinc/78/81/57/435788157.db2.gz CMHWJPUVRYWTTL-HNAYVOBHSA-N 2 2 318.436 3.046 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000651682232 435788945 /nfs/dbraw/zinc/78/89/45/435788945.db2.gz QOXIOMJDBTWNCO-GOSISDBHSA-N 2 2 319.493 3.087 20 0 DGADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000641713339 435796677 /nfs/dbraw/zinc/79/66/77/435796677.db2.gz SDGFKNIIBICRLM-DLBZAZTESA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655792593 435799554 /nfs/dbraw/zinc/79/95/54/435799554.db2.gz MFPLLLPPPSAFSV-KRWDZBQOSA-N 2 2 304.482 3.352 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655792593 435799559 /nfs/dbraw/zinc/79/95/59/435799559.db2.gz MFPLLLPPPSAFSV-KRWDZBQOSA-N 2 2 304.482 3.352 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1F ZINC000655792890 435799812 /nfs/dbraw/zinc/79/98/12/435799812.db2.gz SAZMVEMTBRMZCQ-YJBOKZPZSA-N 2 2 306.425 3.120 20 0 DGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000655792990 435800219 /nfs/dbraw/zinc/80/02/19/435800219.db2.gz DNOLRJAJBPBXKO-UHFFFAOYSA-N 2 2 318.852 3.016 20 0 DGADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000651767749 435821733 /nfs/dbraw/zinc/82/17/33/435821733.db2.gz KGRVNPJSNANFIP-WCQYABFASA-N 2 2 305.784 3.268 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccncc2N)c(C)c1 ZINC000641740773 435805964 /nfs/dbraw/zinc/80/59/64/435805964.db2.gz CNICVTCZNREKDF-LJQANCHMSA-N 2 2 321.428 3.008 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000551006700 435816675 /nfs/dbraw/zinc/81/66/75/435816675.db2.gz IKMHEYLKSDUFQJ-MOPGFXCFSA-N 3 2 312.461 3.088 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000551006700 435816679 /nfs/dbraw/zinc/81/66/79/435816679.db2.gz IKMHEYLKSDUFQJ-MOPGFXCFSA-N 3 2 312.461 3.088 20 0 DGADLP Fc1c[nH+]ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000641556995 435764744 /nfs/dbraw/zinc/76/47/44/435764744.db2.gz YKXXYATZSIHQJV-ZDUSSCGKSA-N 2 2 300.381 3.138 20 0 DGADLP Clc1ccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655743712 435766308 /nfs/dbraw/zinc/76/63/08/435766308.db2.gz KLADSJZVWXBNKY-QGZVFWFLSA-N 2 2 320.864 3.172 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473673 435766922 /nfs/dbraw/zinc/76/69/22/435766922.db2.gz SJQHVQCUDCXGAI-HOCLYGCPSA-N 2 2 324.415 3.213 20 0 DGADLP c1ccc([C@@H](CC2CC2)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655742491 435766962 /nfs/dbraw/zinc/76/69/62/435766962.db2.gz KBUNDSTZHQKPOB-WOJBJXKFSA-N 2 2 314.473 3.371 20 0 DGADLP C(=C/c1ccccc1)\CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474627 435767284 /nfs/dbraw/zinc/76/72/84/435767284.db2.gz KMSJSZMSYSRNKP-ZTJJKMQJSA-N 2 2 314.473 3.277 20 0 DGADLP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474627 435767289 /nfs/dbraw/zinc/76/72/89/435767289.db2.gz KMSJSZMSYSRNKP-ZTJJKMQJSA-N 2 2 314.473 3.277 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655748788 435769571 /nfs/dbraw/zinc/76/95/71/435769571.db2.gz JGJRHRDGVZANBB-YWZLYKJASA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000655748788 435769577 /nfs/dbraw/zinc/76/95/77/435769577.db2.gz JGJRHRDGVZANBB-YWZLYKJASA-N 2 2 324.472 3.061 20 0 DGADLP OCC1([C@@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc2)CC=CC1 ZINC000646080205 435770255 /nfs/dbraw/zinc/77/02/55/435770255.db2.gz MAEXFTCSPLYUFV-IBGZPJMESA-N 2 2 314.473 3.132 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644225 435776541 /nfs/dbraw/zinc/77/65/41/435776541.db2.gz JDQBSBDSRGPCTA-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644225 435776544 /nfs/dbraw/zinc/77/65/44/435776544.db2.gz JDQBSBDSRGPCTA-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644225 435776548 /nfs/dbraw/zinc/77/65/48/435776548.db2.gz JDQBSBDSRGPCTA-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000651644225 435776552 /nfs/dbraw/zinc/77/65/52/435776552.db2.gz JDQBSBDSRGPCTA-ZFWWWQNUSA-N 2 2 324.440 3.148 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060470 435776894 /nfs/dbraw/zinc/77/68/94/435776894.db2.gz WZPAQWHTENGMIJ-QFBILLFUSA-N 2 2 320.452 3.116 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060470 435776902 /nfs/dbraw/zinc/77/69/02/435776902.db2.gz WZPAQWHTENGMIJ-QFBILLFUSA-N 2 2 320.452 3.116 20 0 DGADLP COc1cc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000651669462 435783846 /nfs/dbraw/zinc/78/38/46/435783846.db2.gz VQSTZJKAGLJSCY-CQSZACIVSA-N 2 2 324.440 3.197 20 0 DGADLP COc1cc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000651669462 435783852 /nfs/dbraw/zinc/78/38/52/435783852.db2.gz VQSTZJKAGLJSCY-CQSZACIVSA-N 2 2 324.440 3.197 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000651672751 435785673 /nfs/dbraw/zinc/78/56/73/435785673.db2.gz KTBVIDUOOJALNW-UHFFFAOYSA-N 2 2 314.477 3.309 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000651672751 435785679 /nfs/dbraw/zinc/78/56/79/435785679.db2.gz KTBVIDUOOJALNW-UHFFFAOYSA-N 2 2 314.477 3.309 20 0 DGADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273208 435828646 /nfs/dbraw/zinc/82/86/46/435828646.db2.gz VCRWJFYWOHZQFX-FFZOFVMBSA-N 2 2 318.505 3.210 20 0 DGADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273208 435828652 /nfs/dbraw/zinc/82/86/52/435828652.db2.gz VCRWJFYWOHZQFX-FFZOFVMBSA-N 2 2 318.505 3.210 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000655833181 435828927 /nfs/dbraw/zinc/82/89/27/435828927.db2.gz MCLOBVNIPCRVPQ-CQSZACIVSA-N 2 2 324.431 3.444 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000655836229 435830652 /nfs/dbraw/zinc/83/06/52/435830652.db2.gz GDMAQONUXLWUAF-HLIPFELVSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000655836229 435830656 /nfs/dbraw/zinc/83/06/56/435830656.db2.gz GDMAQONUXLWUAF-HLIPFELVSA-N 2 2 309.457 3.123 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000660642685 435835330 /nfs/dbraw/zinc/83/53/30/435835330.db2.gz UHFDZRBCRKGDSW-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000660642685 435835334 /nfs/dbraw/zinc/83/53/34/435835334.db2.gz UHFDZRBCRKGDSW-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1Cl ZINC000660642685 435835340 /nfs/dbraw/zinc/83/53/40/435835340.db2.gz UHFDZRBCRKGDSW-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000660642685 435835345 /nfs/dbraw/zinc/83/53/45/435835345.db2.gz UHFDZRBCRKGDSW-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCC(F)(F)CC1 ZINC000655846742 435837110 /nfs/dbraw/zinc/83/71/10/435837110.db2.gz KWJLFABYIZAEOH-BBRMVZONSA-N 2 2 316.436 3.043 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000655849187 435838457 /nfs/dbraw/zinc/83/84/57/435838457.db2.gz PWHWBVPPDJCSMB-NXHRZFHOSA-N 2 2 304.482 3.002 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000655849187 435838463 /nfs/dbraw/zinc/83/84/63/435838463.db2.gz PWHWBVPPDJCSMB-NXHRZFHOSA-N 2 2 304.482 3.002 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000651816509 435838602 /nfs/dbraw/zinc/83/86/02/435838602.db2.gz YDGVHOWAQUGAOK-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000651816509 435838608 /nfs/dbraw/zinc/83/86/08/435838608.db2.gz YDGVHOWAQUGAOK-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000651816509 435838614 /nfs/dbraw/zinc/83/86/14/435838614.db2.gz YDGVHOWAQUGAOK-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000651816509 435838619 /nfs/dbraw/zinc/83/86/19/435838619.db2.gz YDGVHOWAQUGAOK-FQEVSTJZSA-N 2 2 324.472 3.017 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000655848128 435838588 /nfs/dbraw/zinc/83/85/88/435838588.db2.gz BWSCKBWNTVTLBV-YTQUADARSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000655848128 435838595 /nfs/dbraw/zinc/83/85/95/435838595.db2.gz BWSCKBWNTVTLBV-YTQUADARSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849918 435838837 /nfs/dbraw/zinc/83/88/37/435838837.db2.gz QVLSHJARRFSNKD-RCCFBDPRSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849918 435838846 /nfs/dbraw/zinc/83/88/46/435838846.db2.gz QVLSHJARRFSNKD-RCCFBDPRSA-N 2 2 300.446 3.289 20 0 DGADLP C1CC[N@@H+]2CCC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@@H]2C1 ZINC000655849244 435838922 /nfs/dbraw/zinc/83/89/22/435838922.db2.gz RIDLRGDZDGZLBQ-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP C1CC[N@H+]2CCC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@@H]2C1 ZINC000655849244 435838927 /nfs/dbraw/zinc/83/89/27/435838927.db2.gz RIDLRGDZDGZLBQ-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849917 435838995 /nfs/dbraw/zinc/83/89/95/435838995.db2.gz QVLSHJARRFSNKD-OKZBNKHCSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849917 435839003 /nfs/dbraw/zinc/83/90/03/435839003.db2.gz QVLSHJARRFSNKD-OKZBNKHCSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)COC2 ZINC000655849474 435839883 /nfs/dbraw/zinc/83/98/83/435839883.db2.gz VOYUVUUWPQGXCC-GDIGMMSISA-N 2 2 300.446 3.384 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)COC2 ZINC000655849474 435839888 /nfs/dbraw/zinc/83/98/88/435839888.db2.gz VOYUVUUWPQGXCC-GDIGMMSISA-N 2 2 300.446 3.384 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cn1 ZINC000551572114 435842412 /nfs/dbraw/zinc/84/24/12/435842412.db2.gz PSISPWQQBPJNHI-QGZVFWFLSA-N 2 2 302.397 3.240 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OC(F)F)C2 ZINC000660653235 435842293 /nfs/dbraw/zinc/84/22/93/435842293.db2.gz QBWCANZKSWKWCA-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OC(F)F)C2 ZINC000660653235 435842298 /nfs/dbraw/zinc/84/22/98/435842298.db2.gz QBWCANZKSWKWCA-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1OC(F)F)C2 ZINC000660653235 435842306 /nfs/dbraw/zinc/84/23/06/435842306.db2.gz QBWCANZKSWKWCA-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1OC(F)F)C2 ZINC000660653235 435842312 /nfs/dbraw/zinc/84/23/12/435842312.db2.gz QBWCANZKSWKWCA-QGZVFWFLSA-N 2 2 310.388 3.206 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856585 435845037 /nfs/dbraw/zinc/84/50/37/435845037.db2.gz PAAFPMUMAHXPCP-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856585 435845043 /nfs/dbraw/zinc/84/50/43/435845043.db2.gz PAAFPMUMAHXPCP-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657089 435845100 /nfs/dbraw/zinc/84/51/00/435845100.db2.gz VGHNSVZNOMXROK-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657089 435845106 /nfs/dbraw/zinc/84/51/06/435845106.db2.gz VGHNSVZNOMXROK-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657089 435845110 /nfs/dbraw/zinc/84/51/10/435845110.db2.gz VGHNSVZNOMXROK-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ncc(-c3ccccc3)o1)C2 ZINC000660657089 435845114 /nfs/dbraw/zinc/84/51/14/435845114.db2.gz VGHNSVZNOMXROK-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572879521 435878257 /nfs/dbraw/zinc/87/82/57/435878257.db2.gz LFQDJFXMOOQNTH-QUCCMNQESA-N 2 2 322.452 3.404 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572879521 435878262 /nfs/dbraw/zinc/87/82/62/435878262.db2.gz LFQDJFXMOOQNTH-QUCCMNQESA-N 2 2 322.452 3.404 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)n1cc[nH+]c1 ZINC000572608740 435847826 /nfs/dbraw/zinc/84/78/26/435847826.db2.gz QVPSAQUUXSIIRX-GFCCVEGCSA-N 2 2 320.824 3.188 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655857878 435849516 /nfs/dbraw/zinc/84/95/16/435849516.db2.gz VEXQFDCONYATSU-IRXDYDNUSA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655857878 435849523 /nfs/dbraw/zinc/84/95/23/435849523.db2.gz VEXQFDCONYATSU-IRXDYDNUSA-N 2 2 324.415 3.437 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3[C@H](C)CCC3(C)C)c2cc1C ZINC000650286447 435878695 /nfs/dbraw/zinc/87/86/95/435878695.db2.gz PJGUIQHGDMOGEJ-CVEARBPZSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3[C@H](C)CCC3(C)C)c2cc1C ZINC000650286447 435878701 /nfs/dbraw/zinc/87/87/01/435878701.db2.gz PJGUIQHGDMOGEJ-CVEARBPZSA-N 2 2 315.461 3.277 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910338 435862704 /nfs/dbraw/zinc/86/27/04/435862704.db2.gz PUYNKTWUTCAAOT-MJGOQNOKSA-N 3 2 307.526 3.248 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910338 435862709 /nfs/dbraw/zinc/86/27/09/435862709.db2.gz PUYNKTWUTCAAOT-MJGOQNOKSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910338 435862714 /nfs/dbraw/zinc/86/27/14/435862714.db2.gz PUYNKTWUTCAAOT-MJGOQNOKSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000651910338 435862720 /nfs/dbraw/zinc/86/27/20/435862720.db2.gz PUYNKTWUTCAAOT-MJGOQNOKSA-N 3 2 307.526 3.248 20 0 DGADLP CCCOc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000551964512 435864096 /nfs/dbraw/zinc/86/40/96/435864096.db2.gz BWEPSPJIVIDDMV-UHFFFAOYSA-N 2 2 322.412 3.149 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000572778591 435864157 /nfs/dbraw/zinc/86/41/57/435864157.db2.gz NJIYKQXGSAEHMX-CQSZACIVSA-N 2 2 314.433 3.069 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000572778591 435864161 /nfs/dbraw/zinc/86/41/61/435864161.db2.gz NJIYKQXGSAEHMX-CQSZACIVSA-N 2 2 314.433 3.069 20 0 DGADLP c1c[nH]c([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CCCCC2)n1 ZINC000552034434 435872420 /nfs/dbraw/zinc/87/24/20/435872420.db2.gz UPBRUQCPXNKQCL-INIZCTEOSA-N 2 2 301.438 3.298 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572879522 435878947 /nfs/dbraw/zinc/87/89/47/435878947.db2.gz LFQDJFXMOOQNTH-UYAOXDASSA-N 2 2 322.452 3.404 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572879522 435878952 /nfs/dbraw/zinc/87/89/52/435878952.db2.gz LFQDJFXMOOQNTH-UYAOXDASSA-N 2 2 322.452 3.404 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C[C@@H]1[NH3+] ZINC000641802506 435827479 /nfs/dbraw/zinc/82/74/79/435827479.db2.gz MACQBHDXCYVWJB-UONOGXRCSA-N 2 2 305.422 3.165 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000656126145 435897098 /nfs/dbraw/zinc/89/70/98/435897098.db2.gz JYKJZXUHSDYXRN-NVXWUHKLSA-N 2 2 302.466 3.184 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000656126145 435897103 /nfs/dbraw/zinc/89/71/03/435897103.db2.gz JYKJZXUHSDYXRN-NVXWUHKLSA-N 2 2 302.466 3.184 20 0 DGADLP CO[C@@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)C1CC1 ZINC000660857871 435910502 /nfs/dbraw/zinc/91/05/02/435910502.db2.gz XMTZVTKARZBJPF-SFHVURJKSA-N 2 2 313.445 3.242 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCO1 ZINC000660857690 435910756 /nfs/dbraw/zinc/91/07/56/435910756.db2.gz VNZIRXZAYGUKOM-GDBMZVCRSA-N 2 2 313.445 3.385 20 0 DGADLP C[C@@H]([NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000656200977 435911856 /nfs/dbraw/zinc/91/18/56/435911856.db2.gz HEZJSRFELHUIGE-BXUZGUMPSA-N 2 2 314.351 3.304 20 0 DGADLP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000656211560 435914291 /nfs/dbraw/zinc/91/42/91/435914291.db2.gz VUOSZDKJNIZRHW-KLPPZKSPSA-N 2 2 313.380 3.002 20 0 DGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203087 435923039 /nfs/dbraw/zinc/92/30/39/435923039.db2.gz AFVVECVJJFEZDX-MOPGFXCFSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203087 435923044 /nfs/dbraw/zinc/92/30/44/435923044.db2.gz AFVVECVJJFEZDX-MOPGFXCFSA-N 2 2 322.468 3.349 20 0 DGADLP COc1cccc(OC)c1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665238172 435925116 /nfs/dbraw/zinc/92/51/16/435925116.db2.gz SIOIKYUKPHBOSS-GJZGRUSLSA-N 2 2 306.450 3.104 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)[C@@H]1CCCC[NH2+]1 ZINC000665244555 435926137 /nfs/dbraw/zinc/92/61/37/435926137.db2.gz QLZFTOHYECPSTQ-CVEARBPZSA-N 2 2 306.425 3.377 20 0 DGADLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCC1)c1ccc(Cl)cc1 ZINC000665246407 435926352 /nfs/dbraw/zinc/92/63/52/435926352.db2.gz FCGINZGHXMHWQX-HNNXBMFYSA-N 2 2 318.852 3.024 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000652221514 435926741 /nfs/dbraw/zinc/92/67/41/435926741.db2.gz XJUXXDRKJWAPGU-HNNXBMFYSA-N 2 2 308.466 3.332 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000652221514 435926746 /nfs/dbraw/zinc/92/67/46/435926746.db2.gz XJUXXDRKJWAPGU-HNNXBMFYSA-N 2 2 308.466 3.332 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250600 435928038 /nfs/dbraw/zinc/92/80/38/435928038.db2.gz WYLSQNSTQWKRBV-NSISKUIASA-N 2 2 324.468 3.362 20 0 DGADLP COC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000665249549 435928150 /nfs/dbraw/zinc/92/81/50/435928150.db2.gz SLJBNGZTZFZLGJ-AWEZNQCLSA-N 2 2 316.367 3.254 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000665250279 435928907 /nfs/dbraw/zinc/92/89/07/435928907.db2.gz MXNDJMIHAVBZNL-BMGDILEWSA-N 2 2 324.424 3.212 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000665255212 435930790 /nfs/dbraw/zinc/93/07/90/435930790.db2.gz LPPJIHVSIHLVHA-OKZBNKHCSA-N 2 2 302.462 3.309 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cncs1 ZINC000665253546 435931165 /nfs/dbraw/zinc/93/11/65/435931165.db2.gz VHJNCJBUBFJFBR-IXPVHAAZSA-N 2 2 323.412 3.218 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CC(C(C)C)C2)cc1F ZINC000665259837 435932620 /nfs/dbraw/zinc/93/26/20/435932620.db2.gz RZZYMQHTDPGGGM-OBQMCRIKSA-N 2 2 320.452 3.304 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](OC4CCC4)C3)c2)c[nH+]1 ZINC000656271711 435932941 /nfs/dbraw/zinc/93/29/41/435932941.db2.gz KIQRZMUIVPRWJH-MRXNPFEDSA-N 2 2 317.458 3.467 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC2(C)C)cc1F ZINC000665260001 435933402 /nfs/dbraw/zinc/93/34/02/435933402.db2.gz WKGGZVSTEWSBJJ-QRTARXTBSA-N 2 2 306.425 3.058 20 0 DGADLP COc1ccc(-c2cc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])on2)cc1 ZINC000665261844 435933465 /nfs/dbraw/zinc/93/34/65/435933465.db2.gz MYYQWCYAIYIJLS-IRXDYDNUSA-N 2 2 315.417 3.100 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3[C@H](C)CCC3(C)C)c2cc1C ZINC000650286449 435879917 /nfs/dbraw/zinc/87/99/17/435879917.db2.gz PJGUIQHGDMOGEJ-HZPDHXFCSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3[C@H](C)CCC3(C)C)c2cc1C ZINC000650286449 435879921 /nfs/dbraw/zinc/87/99/21/435879921.db2.gz PJGUIQHGDMOGEJ-HZPDHXFCSA-N 2 2 315.461 3.277 20 0 DGADLP CSc1ccc[nH+]c1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000651971868 435880434 /nfs/dbraw/zinc/88/04/34/435880434.db2.gz YFHBRSRVZUAZPD-UHFFFAOYSA-N 2 2 300.431 3.279 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355794 435960062 /nfs/dbraw/zinc/96/00/62/435960062.db2.gz HWZXUDAMOZNIJA-UMVBOHGHSA-N 2 2 311.495 3.190 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355794 435960067 /nfs/dbraw/zinc/96/00/67/435960067.db2.gz HWZXUDAMOZNIJA-UMVBOHGHSA-N 2 2 311.495 3.190 20 0 DGADLP FC1(F)CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000647172562 435960436 /nfs/dbraw/zinc/96/04/36/435960436.db2.gz ZXVHJHWXMDDFTK-UHFFFAOYSA-N 2 2 324.415 3.186 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CO[C@H](C)C2)CCCC1)c1ccccc1 ZINC000647185034 435965863 /nfs/dbraw/zinc/96/58/63/435965863.db2.gz LZJJERLQJFMKNY-JFIYKMOQSA-N 2 2 302.462 3.417 20 0 DGADLP CC[C@H](C)[N@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109250 435968097 /nfs/dbraw/zinc/96/80/97/435968097.db2.gz QHWRCUGINIWUOV-JKSUJKDBSA-N 2 2 303.450 3.134 20 0 DGADLP CC[C@H](C)[N@@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109250 435968101 /nfs/dbraw/zinc/96/81/01/435968101.db2.gz QHWRCUGINIWUOV-JKSUJKDBSA-N 2 2 303.450 3.134 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229060 435981976 /nfs/dbraw/zinc/98/19/76/435981976.db2.gz JYAYUBJYQWUTCZ-YNKQFZHNSA-N 2 2 317.864 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000647229060 435981981 /nfs/dbraw/zinc/98/19/81/435981981.db2.gz JYAYUBJYQWUTCZ-YNKQFZHNSA-N 2 2 317.864 3.218 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170504 435986432 /nfs/dbraw/zinc/98/64/32/435986432.db2.gz XNUKDVYUYLPBPC-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170504 435986435 /nfs/dbraw/zinc/98/64/35/435986435.db2.gz XNUKDVYUYLPBPC-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP COc1ccc(F)c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647263194 435995306 /nfs/dbraw/zinc/99/53/06/435995306.db2.gz VMUVFEMHNWIPRL-UHFFFAOYSA-N 2 2 313.376 3.123 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000665281439 435937541 /nfs/dbraw/zinc/93/75/41/435937541.db2.gz CBIZKOGOIQFZJQ-SJLPKXTDSA-N 2 2 301.409 3.273 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000665296656 435942503 /nfs/dbraw/zinc/94/25/03/435942503.db2.gz VYBMFSKQGKTGES-UGSOOPFHSA-N 2 2 304.384 3.446 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc(Br)cc21 ZINC000665298551 435943310 /nfs/dbraw/zinc/94/33/10/435943310.db2.gz YAAVDFGXTKNOQV-YGRLFVJLSA-N 2 2 311.267 3.369 20 0 DGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])on1 ZINC000665299894 435944917 /nfs/dbraw/zinc/94/49/17/435944917.db2.gz VCVJCRKOQMKUFD-HZPDHXFCSA-N 2 2 315.417 3.100 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000656426949 435945193 /nfs/dbraw/zinc/94/51/93/435945193.db2.gz RZIJFUQQDUEOIP-PKOBYXMFSA-N 2 2 313.445 3.062 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000656426949 435945196 /nfs/dbraw/zinc/94/51/96/435945196.db2.gz RZIJFUQQDUEOIP-PKOBYXMFSA-N 2 2 313.445 3.062 20 0 DGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000652344875 435954600 /nfs/dbraw/zinc/95/46/00/435954600.db2.gz NBXUWEPIHGOZRT-KRWDZBQOSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)[C@H]1CC[NH3+] ZINC000652355253 435956254 /nfs/dbraw/zinc/95/62/54/435956254.db2.gz SNTFYTHSBSWIBK-OCCSQVGLSA-N 2 2 322.403 3.381 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)[C@H]1CC[NH3+] ZINC000652355253 435956260 /nfs/dbraw/zinc/95/62/60/435956260.db2.gz SNTFYTHSBSWIBK-OCCSQVGLSA-N 2 2 322.403 3.381 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000650709391 435998447 /nfs/dbraw/zinc/99/84/47/435998447.db2.gz XQOGBVVQUFHCBS-LRDDRELGSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000650709391 435998452 /nfs/dbraw/zinc/99/84/52/435998452.db2.gz XQOGBVVQUFHCBS-LRDDRELGSA-N 2 2 319.499 3.432 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715867 436001683 /nfs/dbraw/zinc/00/16/83/436001683.db2.gz MJHISBONFABJMQ-UXPWSPDFSA-N 2 2 321.468 3.448 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715867 436001689 /nfs/dbraw/zinc/00/16/89/436001689.db2.gz MJHISBONFABJMQ-UXPWSPDFSA-N 2 2 321.468 3.448 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294566 436005358 /nfs/dbraw/zinc/00/53/58/436005358.db2.gz HYPLCIWEOKNNAT-SJORKVTESA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc3n(n2)CCCC3)C1 ZINC000647294566 436005361 /nfs/dbraw/zinc/00/53/61/436005361.db2.gz HYPLCIWEOKNNAT-SJORKVTESA-N 2 2 318.509 3.238 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)c1cc2n(n1)CCCC2)[NH+]1CCCCC1 ZINC000647299736 436007078 /nfs/dbraw/zinc/00/70/78/436007078.db2.gz CAOWUUIECKYXDR-HOTGVXAUSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647321031 436012886 /nfs/dbraw/zinc/01/28/86/436012886.db2.gz STPJFEVOHVJOQH-BMFZPTHFSA-N 2 2 318.486 3.002 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647321031 436012893 /nfs/dbraw/zinc/01/28/93/436012893.db2.gz STPJFEVOHVJOQH-BMFZPTHFSA-N 2 2 318.486 3.002 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1nccs1 ZINC000647344180 436026510 /nfs/dbraw/zinc/02/65/10/436026510.db2.gz LCNJFSIYJFQAOL-BMFZPTHFSA-N 2 2 301.459 3.139 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1nccs1 ZINC000647344180 436026515 /nfs/dbraw/zinc/02/65/15/436026515.db2.gz LCNJFSIYJFQAOL-BMFZPTHFSA-N 2 2 301.459 3.139 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364958 436031150 /nfs/dbraw/zinc/03/11/50/436031150.db2.gz TXCDOKWMMXAFEO-SFHVURJKSA-N 2 2 321.424 3.471 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3C[C@@H](OC(C)C)C3(C)C)cn21 ZINC000647363537 436031666 /nfs/dbraw/zinc/03/16/66/436031666.db2.gz CLPUNCBLSYIXRG-IAGOWNOFSA-N 2 2 315.461 3.367 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3C[C@H](OC(C)C)C3(C)C)cn21 ZINC000647363539 436031753 /nfs/dbraw/zinc/03/17/53/436031753.db2.gz CLPUNCBLSYIXRG-SJORKVTESA-N 2 2 315.461 3.367 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000656789436 436047187 /nfs/dbraw/zinc/04/71/87/436047187.db2.gz ZEULBCQORDCRQF-NHCUHLMSSA-N 2 2 317.436 3.470 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480454 436059722 /nfs/dbraw/zinc/05/97/22/436059722.db2.gz OEOSXJMOHXEOIS-HOCLYGCPSA-N 2 2 307.507 3.306 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647480454 436059726 /nfs/dbraw/zinc/05/97/26/436059726.db2.gz OEOSXJMOHXEOIS-HOCLYGCPSA-N 2 2 307.507 3.306 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479337 436059837 /nfs/dbraw/zinc/05/98/37/436059837.db2.gz CPHICBDNWJDVCR-KGLIPLIRSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479337 436059843 /nfs/dbraw/zinc/05/98/43/436059843.db2.gz CPHICBDNWJDVCR-KGLIPLIRSA-N 2 2 307.507 3.405 20 0 DGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000647498186 436066363 /nfs/dbraw/zinc/06/63/63/436066363.db2.gz CEMDRJDXHBRTOM-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000647498186 436066371 /nfs/dbraw/zinc/06/63/71/436066371.db2.gz CEMDRJDXHBRTOM-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP Brc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000647553507 436082234 /nfs/dbraw/zinc/08/22/34/436082234.db2.gz BODZEOOUQGBPLF-LLVKDONJSA-N 2 2 315.280 3.275 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1SC ZINC000647554212 436083633 /nfs/dbraw/zinc/08/36/33/436083633.db2.gz UCDPHENVTBPLKA-MRXNPFEDSA-N 2 2 306.475 3.181 20 0 DGADLP Brc1csc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554350 436084538 /nfs/dbraw/zinc/08/45/38/436084538.db2.gz XKDPOPVIBLYCQG-LBPRGKRZSA-N 2 2 315.280 3.275 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 ZINC000647801432 436126377 /nfs/dbraw/zinc/12/63/77/436126377.db2.gz VOMJBAMARIJCKY-KGLIPLIRSA-N 2 2 318.323 3.243 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1nc2ccccc2[nH]1 ZINC000657308925 436128762 /nfs/dbraw/zinc/12/87/62/436128762.db2.gz YTRZNDWJQLREJR-KRWDZBQOSA-N 2 2 309.417 3.193 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904108 436144019 /nfs/dbraw/zinc/14/40/19/436144019.db2.gz WUWYYEGTMCZLJG-XJKSGUPXSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904108 436144022 /nfs/dbraw/zinc/14/40/22/436144022.db2.gz WUWYYEGTMCZLJG-XJKSGUPXSA-N 2 2 308.853 3.313 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000657338330 436144991 /nfs/dbraw/zinc/14/49/91/436144991.db2.gz MXJRLXCAYYRXOE-UHFFFAOYSA-N 2 2 312.461 3.384 20 0 DGADLP CC[N@H+](Cc1nc(-c2ccccc2C)no1)[C@H]1CCC[NH2+]CC1 ZINC000647912910 436147083 /nfs/dbraw/zinc/14/70/83/436147083.db2.gz BRPZKHLWUZUHMM-HNNXBMFYSA-N 2 2 314.433 3.009 20 0 DGADLP CC[N@@H+](Cc1nc(-c2ccccc2C)no1)[C@H]1CCC[NH2+]CC1 ZINC000647912910 436147086 /nfs/dbraw/zinc/14/70/86/436147086.db2.gz BRPZKHLWUZUHMM-HNNXBMFYSA-N 2 2 314.433 3.009 20 0 DGADLP Cc1[nH]c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)[nH+]c1C ZINC000657344604 436148902 /nfs/dbraw/zinc/14/89/02/436148902.db2.gz DHVDZFOYRTYTBE-GOSISDBHSA-N 2 2 312.461 3.343 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000657347670 436152596 /nfs/dbraw/zinc/15/25/96/436152596.db2.gz DUGPHOKROZGOMP-MRXNPFEDSA-N 2 2 313.470 3.445 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657347670 436152601 /nfs/dbraw/zinc/15/26/01/436152601.db2.gz DUGPHOKROZGOMP-MRXNPFEDSA-N 2 2 313.470 3.445 20 0 DGADLP CCc1oc2ccccc2c1C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647955282 436157182 /nfs/dbraw/zinc/15/71/82/436157182.db2.gz LKPUDAAZQUSYRU-HNNXBMFYSA-N 2 2 318.461 3.128 20 0 DGADLP CCc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647955282 436157185 /nfs/dbraw/zinc/15/71/85/436157185.db2.gz LKPUDAAZQUSYRU-HNNXBMFYSA-N 2 2 318.461 3.128 20 0 DGADLP CCc1oc2ccccc2c1C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647955282 436157191 /nfs/dbraw/zinc/15/71/91/436157191.db2.gz LKPUDAAZQUSYRU-HNNXBMFYSA-N 2 2 318.461 3.128 20 0 DGADLP CCc1oc2ccccc2c1C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647955282 436157197 /nfs/dbraw/zinc/15/71/97/436157197.db2.gz LKPUDAAZQUSYRU-HNNXBMFYSA-N 2 2 318.461 3.128 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666178354 436166403 /nfs/dbraw/zinc/16/64/03/436166403.db2.gz KUQNNNMJNAIEFA-KURKYZTESA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666178354 436166409 /nfs/dbraw/zinc/16/64/09/436166409.db2.gz KUQNNNMJNAIEFA-KURKYZTESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000651355615 436172816 /nfs/dbraw/zinc/17/28/16/436172816.db2.gz PRQRSHKJCQCSJP-BFVZDQMLSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000651355615 436172820 /nfs/dbraw/zinc/17/28/20/436172820.db2.gz PRQRSHKJCQCSJP-BFVZDQMLSA-N 2 2 315.230 3.189 20 0 DGADLP Fc1c(C[NH2+]CCCNc2cccc[nH+]2)cccc1OC1CC1 ZINC000657391081 436176529 /nfs/dbraw/zinc/17/65/29/436176529.db2.gz NZWJHLDVVKSHHR-UHFFFAOYSA-N 2 2 315.392 3.354 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000648009956 436176801 /nfs/dbraw/zinc/17/68/01/436176801.db2.gz DYDBLPQOIUTIAR-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000648009956 436176806 /nfs/dbraw/zinc/17/68/06/436176806.db2.gz DYDBLPQOIUTIAR-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)O1 ZINC000666218499 436177553 /nfs/dbraw/zinc/17/75/53/436177553.db2.gz PHIDWPYTKNFSFG-PSBWJHGTSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)O1 ZINC000666218499 436177556 /nfs/dbraw/zinc/17/75/56/436177556.db2.gz PHIDWPYTKNFSFG-PSBWJHGTSA-N 2 2 316.489 3.443 20 0 DGADLP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657526444 436233457 /nfs/dbraw/zinc/23/34/57/436233457.db2.gz HIGOQTCQCPUETR-WBVHZDCISA-N 2 2 320.477 3.063 20 0 DGADLP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657526444 436233462 /nfs/dbraw/zinc/23/34/62/436233462.db2.gz HIGOQTCQCPUETR-WBVHZDCISA-N 2 2 320.477 3.063 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657527870 436233612 /nfs/dbraw/zinc/23/36/12/436233612.db2.gz GRMNZNRJECPAEU-JLAWEPINSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CC(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657527870 436233617 /nfs/dbraw/zinc/23/36/17/436233617.db2.gz GRMNZNRJECPAEU-JLAWEPINSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523120 436234208 /nfs/dbraw/zinc/23/42/08/436234208.db2.gz DNCFQHKQLCUZNG-BHIYHBOVSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523120 436234211 /nfs/dbraw/zinc/23/42/11/436234211.db2.gz DNCFQHKQLCUZNG-BHIYHBOVSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657523120 436234216 /nfs/dbraw/zinc/23/42/16/436234216.db2.gz DNCFQHKQLCUZNG-BHIYHBOVSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657523120 436234220 /nfs/dbraw/zinc/23/42/20/436234220.db2.gz DNCFQHKQLCUZNG-BHIYHBOVSA-N 2 2 315.505 3.284 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1SC ZINC000657524331 436234252 /nfs/dbraw/zinc/23/42/52/436234252.db2.gz KJNRPZYJLGVZHU-AWEZNQCLSA-N 2 2 308.491 3.380 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1SC ZINC000657524331 436234256 /nfs/dbraw/zinc/23/42/56/436234256.db2.gz KJNRPZYJLGVZHU-AWEZNQCLSA-N 2 2 308.491 3.380 20 0 DGADLP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657526442 436234447 /nfs/dbraw/zinc/23/44/47/436234447.db2.gz HIGOQTCQCPUETR-NVXWUHKLSA-N 2 2 320.477 3.063 20 0 DGADLP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657526442 436234450 /nfs/dbraw/zinc/23/44/50/436234450.db2.gz HIGOQTCQCPUETR-NVXWUHKLSA-N 2 2 320.477 3.063 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000657526815 436234702 /nfs/dbraw/zinc/23/47/02/436234702.db2.gz MGYBAMYVCIGDAP-IRXDYDNUSA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000657526815 436234706 /nfs/dbraw/zinc/23/47/06/436234706.db2.gz MGYBAMYVCIGDAP-IRXDYDNUSA-N 2 2 302.462 3.015 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657416997 436189393 /nfs/dbraw/zinc/18/93/93/436189393.db2.gz ZFXUPJOVSCCEHQ-UHFFFAOYSA-N 2 2 305.809 3.171 20 0 DGADLP Cc1ccc(SC[C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657439298 436201696 /nfs/dbraw/zinc/20/16/96/436201696.db2.gz ZSOQCUZMCVHHEH-AWEZNQCLSA-N 2 2 301.459 3.408 20 0 DGADLP FC(F)(F)[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657440071 436201826 /nfs/dbraw/zinc/20/18/26/436201826.db2.gz MNWDCAZCFOIPLK-CQSZACIVSA-N 2 2 309.335 3.265 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(OC)c(OC)c1 ZINC000657463983 436212106 /nfs/dbraw/zinc/21/21/06/436212106.db2.gz IABNWQQMIKOTLZ-OAHLLOKOSA-N 2 2 315.417 3.087 20 0 DGADLP CC[C@@H](OCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590025 436218913 /nfs/dbraw/zinc/21/89/13/436218913.db2.gz JNRAUSRCMPRLAN-ZWKOTPCHSA-N 2 2 313.445 3.377 20 0 DGADLP CC[C@@H](OCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590025 436218917 /nfs/dbraw/zinc/21/89/17/436218917.db2.gz JNRAUSRCMPRLAN-ZWKOTPCHSA-N 2 2 313.445 3.377 20 0 DGADLP c1ccc(NC2CC[NH+](CCc3noc4ccccc34)CC2)[nH+]c1 ZINC000653594469 436218980 /nfs/dbraw/zinc/21/89/80/436218980.db2.gz UYNKNAJMBXFFBP-UHFFFAOYSA-N 2 2 322.412 3.342 20 0 DGADLP CC(C)O[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590680 436219119 /nfs/dbraw/zinc/21/91/19/436219119.db2.gz VQSHJHWKYVBGDL-ROUUACIJSA-N 2 2 313.445 3.376 20 0 DGADLP CC(C)O[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590680 436219122 /nfs/dbraw/zinc/21/91/22/436219122.db2.gz VQSHJHWKYVBGDL-ROUUACIJSA-N 2 2 313.445 3.376 20 0 DGADLP CCn1c(C[NH2+]CC2([NH3+])CCCCCC2)nc2ccccc21 ZINC000666808111 436285014 /nfs/dbraw/zinc/28/50/14/436285014.db2.gz QWLRMAZOTUJCCD-UHFFFAOYSA-N 2 2 300.450 3.198 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](c3ccccc3)[C@@H](O)C(C)C)c[nH+]c12 ZINC000657748633 436294012 /nfs/dbraw/zinc/29/40/12/436294012.db2.gz VUKBZDPYUMELMM-OALUTQOASA-N 2 2 323.440 3.491 20 0 DGADLP CSc1ccc(C[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000653688326 436243819 /nfs/dbraw/zinc/24/38/19/436243819.db2.gz ZFZIOXYLNLABQY-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1ccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000653688326 436243821 /nfs/dbraw/zinc/24/38/21/436243821.db2.gz ZFZIOXYLNLABQY-HNNXBMFYSA-N 2 2 320.502 3.094 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657588187 436254623 /nfs/dbraw/zinc/25/46/23/436254623.db2.gz PCJNAORVPDMXQZ-XLIONFOSSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657588187 436254628 /nfs/dbraw/zinc/25/46/28/436254628.db2.gz PCJNAORVPDMXQZ-XLIONFOSSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657588948 436255186 /nfs/dbraw/zinc/25/51/86/436255186.db2.gz YIOYWHVBJYIXKH-FXAWDEMLSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657588948 436255191 /nfs/dbraw/zinc/25/51/91/436255191.db2.gz YIOYWHVBJYIXKH-FXAWDEMLSA-N 2 2 309.457 3.043 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1F ZINC000657614504 436261331 /nfs/dbraw/zinc/26/13/31/436261331.db2.gz DARMWHKNNWIVJJ-MRXNPFEDSA-N 2 2 304.413 3.112 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1C ZINC000662063801 436262598 /nfs/dbraw/zinc/26/25/98/436262598.db2.gz CGCGMQRXUSQZPW-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1C ZINC000662063801 436262600 /nfs/dbraw/zinc/26/26/00/436262600.db2.gz CGCGMQRXUSQZPW-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP CC(C)(C)OCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657637720 436266974 /nfs/dbraw/zinc/26/69/74/436266974.db2.gz JYWDSSIBXRIMFD-UHFFFAOYSA-N 2 2 310.404 3.198 20 0 DGADLP Cc1cccn2c(C[NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)c[nH+]c12 ZINC000657655106 436268728 /nfs/dbraw/zinc/26/87/28/436268728.db2.gz RRXGHUFBRLDSAD-HKUYNNGSSA-N 2 2 321.424 3.305 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000666768487 436278170 /nfs/dbraw/zinc/27/81/70/436278170.db2.gz GVQUEUBMCUZJJJ-HOCLYGCPSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657932684 436341881 /nfs/dbraw/zinc/34/18/81/436341881.db2.gz QNJUSFQZQGADGS-CQSZACIVSA-N 2 2 323.431 3.284 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657979720 436349491 /nfs/dbraw/zinc/34/94/91/436349491.db2.gz JNIWOIHFKSKENT-CVEARBPZSA-N 2 2 303.837 3.462 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H]1COC2(CCC2)C1)[NH+](C)C ZINC000657987063 436350200 /nfs/dbraw/zinc/35/02/00/436350200.db2.gz ZWPXCOKROQBKKS-NUJGCVRESA-N 2 2 302.462 3.287 20 0 DGADLP CO[C@H](C[NH2+]Cc1c[nH+]c2c(C)cccn12)C1CCCCC1 ZINC000657783387 436303836 /nfs/dbraw/zinc/30/38/36/436303836.db2.gz XJAFDDQWXQALFT-QGZVFWFLSA-N 2 2 301.434 3.328 20 0 DGADLP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000662233524 436305769 /nfs/dbraw/zinc/30/57/69/436305769.db2.gz GIKNTUMPOGBDSP-FZKQIMNGSA-N 2 2 315.417 3.052 20 0 DGADLP COc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000662233524 436305773 /nfs/dbraw/zinc/30/57/73/436305773.db2.gz GIKNTUMPOGBDSP-FZKQIMNGSA-N 2 2 315.417 3.052 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1C[NH2+]CCO1 ZINC000662251773 436312516 /nfs/dbraw/zinc/31/25/16/436312516.db2.gz FPTLIYDLWSNAPZ-CYBMUJFWSA-N 2 2 317.260 3.192 20 0 DGADLP CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1C[NH2+]CCO1 ZINC000662251773 436312521 /nfs/dbraw/zinc/31/25/21/436312521.db2.gz FPTLIYDLWSNAPZ-CYBMUJFWSA-N 2 2 317.260 3.192 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000666947633 436312891 /nfs/dbraw/zinc/31/28/91/436312891.db2.gz DRIWNKCYOAVBPQ-QWRGUYRKSA-N 2 2 305.224 3.216 20 0 DGADLP C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662253358 436314889 /nfs/dbraw/zinc/31/48/89/436314889.db2.gz SYIWXZZVHYMPOL-RDJZCZTQSA-N 2 2 316.470 3.300 20 0 DGADLP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662253358 436314892 /nfs/dbraw/zinc/31/48/92/436314892.db2.gz SYIWXZZVHYMPOL-RDJZCZTQSA-N 2 2 316.470 3.300 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)C1CCCC1 ZINC000666970661 436317522 /nfs/dbraw/zinc/31/75/22/436317522.db2.gz SHYJPMFLBRKZRT-OAHLLOKOSA-N 2 2 301.459 3.417 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666978940 436318933 /nfs/dbraw/zinc/31/89/33/436318933.db2.gz JNMHDYVUEUPUNZ-INIZCTEOSA-N 2 2 320.868 3.048 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662272890 436321452 /nfs/dbraw/zinc/32/14/52/436321452.db2.gz KFMGFGMIYMJJBR-HNNXBMFYSA-N 2 2 323.234 3.366 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662272890 436321455 /nfs/dbraw/zinc/32/14/55/436321455.db2.gz KFMGFGMIYMJJBR-HNNXBMFYSA-N 2 2 323.234 3.366 20 0 DGADLP c1cc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657832826 436321451 /nfs/dbraw/zinc/32/14/51/436321451.db2.gz GPWANCBWWQLHDK-IBGZPJMESA-N 2 2 324.472 3.015 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995336 436321794 /nfs/dbraw/zinc/32/17/94/436321794.db2.gz KIVIOSXJUPAPQL-NEWSRXKRSA-N 3 2 319.537 3.294 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)C1 ZINC000666995085 436321802 /nfs/dbraw/zinc/32/18/02/436321802.db2.gz CZIOFFJFGLTUIX-NZSAHSFTSA-N 3 2 319.537 3.294 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000662275825 436322189 /nfs/dbraw/zinc/32/21/89/436322189.db2.gz DZUSAPKYLXHIPY-ZETOZRRWSA-N 2 2 300.418 3.033 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCCn2nccc21)[N@H+]1CCc2ccccc2C1 ZINC000657849703 436324742 /nfs/dbraw/zinc/32/47/42/436324742.db2.gz JHDVSFDVNSMLFZ-SFHVURJKSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657860486 436328603 /nfs/dbraw/zinc/32/86/03/436328603.db2.gz IDWYLMSDKJTWRH-MOPGFXCFSA-N 2 2 314.473 3.433 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323317 436331238 /nfs/dbraw/zinc/33/12/38/436331238.db2.gz PHIZPTKCIYCEEN-YOEHRIQHSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323317 436331242 /nfs/dbraw/zinc/33/12/42/436331242.db2.gz PHIZPTKCIYCEEN-YOEHRIQHSA-N 2 2 310.869 3.444 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CCO1 ZINC000662321342 436331691 /nfs/dbraw/zinc/33/16/91/436331691.db2.gz BSFNZVALNHDHLO-CQSZACIVSA-N 2 2 314.832 3.022 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CCO1 ZINC000662321342 436331693 /nfs/dbraw/zinc/33/16/93/436331693.db2.gz BSFNZVALNHDHLO-CQSZACIVSA-N 2 2 314.832 3.022 20 0 DGADLP CCOC1CCC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000657891657 436335038 /nfs/dbraw/zinc/33/50/38/436335038.db2.gz VPRVTGZOLOQAML-UHFFFAOYSA-N 2 2 316.489 3.023 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccccc1 ZINC000657895436 436335087 /nfs/dbraw/zinc/33/50/87/436335087.db2.gz JEDIANZLXZXZJA-DLBZAZTESA-N 2 2 321.428 3.025 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(CF)(CF)C1)c1ccccc1 ZINC000657895468 436335419 /nfs/dbraw/zinc/33/54/19/436335419.db2.gz JTHCGCVGLCTMOY-INIZCTEOSA-N 2 2 319.399 3.381 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897557 436335670 /nfs/dbraw/zinc/33/56/70/436335670.db2.gz VBZRYBDJISBPFJ-RHSMWYFYSA-N 2 2 307.401 3.255 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nccc32)CC[N@@H+]1Cc1ccccc1 ZINC000657901669 436337294 /nfs/dbraw/zinc/33/72/94/436337294.db2.gz RXEZTTMLXUVAJS-NZSAHSFTSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nccc32)CC[N@H+]1Cc1ccccc1 ZINC000657901669 436337299 /nfs/dbraw/zinc/33/72/99/436337299.db2.gz RXEZTTMLXUVAJS-NZSAHSFTSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@](C)(C(F)F)O1 ZINC000662360122 436337545 /nfs/dbraw/zinc/33/75/45/436337545.db2.gz FECXRHLVNVEFMN-GUYCJALGSA-N 2 2 321.371 3.117 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@](C)(C(F)F)O1 ZINC000662360122 436337549 /nfs/dbraw/zinc/33/75/49/436337549.db2.gz FECXRHLVNVEFMN-GUYCJALGSA-N 2 2 321.371 3.117 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060830 436363910 /nfs/dbraw/zinc/36/39/10/436363910.db2.gz NCLZOJZBNIGKOZ-AAEUAGOBSA-N 2 2 303.406 3.057 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060830 436363912 /nfs/dbraw/zinc/36/39/12/436363912.db2.gz NCLZOJZBNIGKOZ-AAEUAGOBSA-N 2 2 303.406 3.057 20 0 DGADLP C1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2(C1)CCCCC2 ZINC000658068964 436364512 /nfs/dbraw/zinc/36/45/12/436364512.db2.gz IHAVWDRLGQHLQB-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091062 436372626 /nfs/dbraw/zinc/37/26/26/436372626.db2.gz KOHOOGAEYGWICN-JKSUJKDBSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091062 436372629 /nfs/dbraw/zinc/37/26/29/436372629.db2.gz KOHOOGAEYGWICN-JKSUJKDBSA-N 2 2 317.477 3.175 20 0 DGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000662901748 436399411 /nfs/dbraw/zinc/39/94/11/436399411.db2.gz IZNPJTOJWJSROG-GDBMZVCRSA-N 2 2 320.481 3.158 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054680 436359193 /nfs/dbraw/zinc/35/91/93/436359193.db2.gz FZDXSKXRFAAVJF-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054680 436359196 /nfs/dbraw/zinc/35/91/96/436359196.db2.gz FZDXSKXRFAAVJF-XJKSGUPXSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCOC2(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC000658333689 436432807 /nfs/dbraw/zinc/43/28/07/436432807.db2.gz YQBHSQUNQRTALX-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCOC2(C)C)CCC[N@H+]1Cc1ccccc1 ZINC000658333689 436432810 /nfs/dbraw/zinc/43/28/10/436432810.db2.gz YQBHSQUNQRTALX-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000658360570 436438413 /nfs/dbraw/zinc/43/84/13/436438413.db2.gz KROWXOYHXMEVDO-USNOLKROSA-N 2 2 324.468 3.219 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000658360570 436438417 /nfs/dbraw/zinc/43/84/17/436438417.db2.gz KROWXOYHXMEVDO-USNOLKROSA-N 2 2 324.468 3.219 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663349856 436444722 /nfs/dbraw/zinc/44/47/22/436444722.db2.gz SVQFFVKASAQQFT-SFHVURJKSA-N 2 2 324.472 3.190 20 0 DGADLP CCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663349856 436444724 /nfs/dbraw/zinc/44/47/24/436444724.db2.gz SVQFFVKASAQQFT-SFHVURJKSA-N 2 2 324.472 3.190 20 0 DGADLP Cc1cccn2c(C[NH2+]Cc3cnccc3C(F)(F)F)c[nH+]c12 ZINC000663353144 436446348 /nfs/dbraw/zinc/44/63/48/436446348.db2.gz FQMOCSSMWBDWBZ-UHFFFAOYSA-N 2 2 320.318 3.346 20 0 DGADLP c1ccc(Nc2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)cc1 ZINC000663371061 436448896 /nfs/dbraw/zinc/44/88/96/436448896.db2.gz OGZGBMYEJVJZQT-UHFFFAOYSA-N 2 2 309.417 3.259 20 0 DGADLP c1ccc(Nc2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)cc1 ZINC000663387154 436451372 /nfs/dbraw/zinc/45/13/72/436451372.db2.gz VTMGVLCKNPVNAO-CQSZACIVSA-N 2 2 309.417 3.116 20 0 DGADLP c1ccc(Nc2cc(NC[C@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)cc1 ZINC000663387154 436451375 /nfs/dbraw/zinc/45/13/75/436451375.db2.gz VTMGVLCKNPVNAO-CQSZACIVSA-N 2 2 309.417 3.116 20 0 DGADLP Cc1cc(C(F)(F)F)cc(NCc2ccc(N(C)C)[nH+]c2)[nH+]1 ZINC000663386051 436451671 /nfs/dbraw/zinc/45/16/71/436451671.db2.gz WJQFUHCQMHSMGJ-UHFFFAOYSA-N 2 2 310.323 3.482 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464959 436463425 /nfs/dbraw/zinc/46/34/25/436463425.db2.gz HORVSTRJDAJWFQ-NVXWUHKLSA-N 2 2 312.461 3.107 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464959 436463426 /nfs/dbraw/zinc/46/34/26/436463426.db2.gz HORVSTRJDAJWFQ-NVXWUHKLSA-N 2 2 312.461 3.107 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286127 436416450 /nfs/dbraw/zinc/41/64/50/436416450.db2.gz PBWMKHJRWKQYPF-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286127 436416455 /nfs/dbraw/zinc/41/64/55/436416455.db2.gz PBWMKHJRWKQYPF-LSDHHAIUSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286126 436417943 /nfs/dbraw/zinc/41/79/43/436417943.db2.gz PBWMKHJRWKQYPF-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286126 436417945 /nfs/dbraw/zinc/41/79/45/436417945.db2.gz PBWMKHJRWKQYPF-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286793 436418903 /nfs/dbraw/zinc/41/89/03/436418903.db2.gz VEYFOXVXAJKHCC-LPHOPBHVSA-N 2 2 324.472 3.324 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286793 436418907 /nfs/dbraw/zinc/41/89/07/436418907.db2.gz VEYFOXVXAJKHCC-LPHOPBHVSA-N 2 2 324.472 3.324 20 0 DGADLP c1ccc2c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nsc2c1 ZINC000660004527 436578872 /nfs/dbraw/zinc/57/88/72/436578872.db2.gz YBXGWPMJRMVHKZ-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000659883454 436554838 /nfs/dbraw/zinc/55/48/38/436554838.db2.gz TVJAFBLCHZEACH-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000659883454 436554840 /nfs/dbraw/zinc/55/48/40/436554840.db2.gz TVJAFBLCHZEACH-CQSZACIVSA-N 2 2 305.809 3.382 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCO[C@H](C)C1 ZINC000659973881 436571557 /nfs/dbraw/zinc/57/15/57/436571557.db2.gz WHLFELJBNZSJNO-SJLPKXTDSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCO[C@H](C)C1 ZINC000659973881 436571560 /nfs/dbraw/zinc/57/15/60/436571560.db2.gz WHLFELJBNZSJNO-SJLPKXTDSA-N 2 2 317.477 3.187 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2OC(F)F)CC1 ZINC000659983154 436572027 /nfs/dbraw/zinc/57/20/27/436572027.db2.gz FXAICHNRWPMLTC-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2OC(F)F)CC1 ZINC000659983154 436572029 /nfs/dbraw/zinc/57/20/29/436572029.db2.gz FXAICHNRWPMLTC-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCc3ccc[nH+]c3N3CCCC3)c2c1C ZINC000664195510 436573103 /nfs/dbraw/zinc/57/31/03/436573103.db2.gz QDPKNTCMEKZVGB-UHFFFAOYSA-N 2 2 322.416 3.182 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000655685885 436574642 /nfs/dbraw/zinc/57/46/42/436574642.db2.gz RWIIFGQDZQGHGL-WCQYABFASA-N 2 2 314.882 3.305 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655683945 436574931 /nfs/dbraw/zinc/57/49/31/436574931.db2.gz JQQDQTFQAMGNHV-SJLPKXTDSA-N 2 2 302.462 3.207 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110303 436589651 /nfs/dbraw/zinc/58/96/51/436589651.db2.gz AHZHBLBSNFVWHD-BPQIPLTHSA-N 2 2 305.466 3.361 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110303 436589653 /nfs/dbraw/zinc/58/96/53/436589653.db2.gz AHZHBLBSNFVWHD-BPQIPLTHSA-N 2 2 305.466 3.361 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110307 436589897 /nfs/dbraw/zinc/58/98/97/436589897.db2.gz AHZHBLBSNFVWHD-RYQLBKOJSA-N 2 2 305.466 3.361 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110307 436589899 /nfs/dbraw/zinc/58/98/99/436589899.db2.gz AHZHBLBSNFVWHD-RYQLBKOJSA-N 2 2 305.466 3.361 20 0 DGADLP C[C@@H]1C[N@H+](C[C@H]2CCCCC2(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660157630 436596374 /nfs/dbraw/zinc/59/63/74/436596374.db2.gz VEAVHELMTIVXQL-GUDVDZBRSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660157630 436596379 /nfs/dbraw/zinc/59/63/79/436596379.db2.gz VEAVHELMTIVXQL-GUDVDZBRSA-N 2 2 321.553 3.161 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1Cl ZINC000660195888 436603592 /nfs/dbraw/zinc/60/35/92/436603592.db2.gz CXURCXSPSQRWEZ-PBHICJAKSA-N 2 2 312.885 3.328 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000660195888 436603594 /nfs/dbraw/zinc/60/35/94/436603594.db2.gz CXURCXSPSQRWEZ-PBHICJAKSA-N 2 2 312.885 3.328 20 0 DGADLP Cc1nc(N2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)cc[nH+]1 ZINC000660278939 436618136 /nfs/dbraw/zinc/61/81/36/436618136.db2.gz BYBBUGRRTHOCJE-SFHVURJKSA-N 2 2 322.456 3.027 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000427876463 303131888 /nfs/dbraw/zinc/13/18/88/303131888.db2.gz MDPZSZPOTYWACQ-HKUYNNGSSA-N 2 2 322.387 3.111 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000376602323 312969587 /nfs/dbraw/zinc/96/95/87/312969587.db2.gz NUTNNELIUYHDTK-IUODEOHRSA-N 2 2 313.405 3.010 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(OC(F)F)cc1)CC2 ZINC000377242864 313031415 /nfs/dbraw/zinc/03/14/15/313031415.db2.gz TZQKCDJLTDMJDB-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(OC(F)F)cc1)CC2 ZINC000377242864 313031417 /nfs/dbraw/zinc/03/14/17/313031417.db2.gz TZQKCDJLTDMJDB-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000377293139 313037062 /nfs/dbraw/zinc/03/70/62/313037062.db2.gz GLXQRIOTKWOWHG-AWEZNQCLSA-N 2 2 321.371 3.401 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000377293139 313037063 /nfs/dbraw/zinc/03/70/63/313037063.db2.gz GLXQRIOTKWOWHG-AWEZNQCLSA-N 2 2 321.371 3.401 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528797956 313085517 /nfs/dbraw/zinc/08/55/17/313085517.db2.gz POLVYMMVWZDTAB-UHFFFAOYSA-N 2 2 323.362 3.430 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528797956 313085521 /nfs/dbraw/zinc/08/55/21/313085521.db2.gz POLVYMMVWZDTAB-UHFFFAOYSA-N 2 2 323.362 3.430 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000529533686 313219083 /nfs/dbraw/zinc/21/90/83/313219083.db2.gz SNMIWBCWLODLGD-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000529663270 313249477 /nfs/dbraw/zinc/24/94/77/313249477.db2.gz IOUGLEGYHXBEQZ-INIZCTEOSA-N 2 2 320.452 3.116 20 0 DGADLP c1cn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C2CC2)[nH+]1 ZINC000530129557 313324651 /nfs/dbraw/zinc/32/46/51/313324651.db2.gz MCKRIVGIQJVGHQ-SFHVURJKSA-N 2 2 311.429 3.052 20 0 DGADLP c1cn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C2CC2)[nH+]1 ZINC000530129557 313324655 /nfs/dbraw/zinc/32/46/55/313324655.db2.gz MCKRIVGIQJVGHQ-SFHVURJKSA-N 2 2 311.429 3.052 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(-c2ccccc2)nn1C ZINC000530216561 313341386 /nfs/dbraw/zinc/34/13/86/313341386.db2.gz QLYHJEHQDMOJGW-KSSFIOAISA-N 2 2 310.445 3.022 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000530492494 313376486 /nfs/dbraw/zinc/37/64/86/313376486.db2.gz WWCXDFMKQNUVOC-KSSFIOAISA-N 2 2 302.462 3.349 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000530492494 313376488 /nfs/dbraw/zinc/37/64/88/313376488.db2.gz WWCXDFMKQNUVOC-KSSFIOAISA-N 2 2 302.462 3.349 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530529681 313381000 /nfs/dbraw/zinc/38/10/00/313381000.db2.gz FKKJFAWBTRQFIS-RDJZCZTQSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530529681 313381004 /nfs/dbraw/zinc/38/10/04/313381004.db2.gz FKKJFAWBTRQFIS-RDJZCZTQSA-N 2 2 313.420 3.221 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000531975516 313507182 /nfs/dbraw/zinc/50/71/82/313507182.db2.gz QVZANKLDMUPOFM-HNNXBMFYSA-N 2 2 308.466 3.080 20 0 DGADLP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000540395486 313958354 /nfs/dbraw/zinc/95/83/54/313958354.db2.gz UQUCIDSZYMLFCJ-UHFFFAOYSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000540618662 313969538 /nfs/dbraw/zinc/96/95/38/313969538.db2.gz SBYXJLZYADETAQ-QWHCGFSZSA-N 2 2 308.389 3.059 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000541737105 314035509 /nfs/dbraw/zinc/03/55/09/314035509.db2.gz QVWDBAKAQGDAJL-RDTXWAMCSA-N 2 2 322.880 3.275 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000543192037 314120008 /nfs/dbraw/zinc/12/00/08/314120008.db2.gz LTIMHRPCMIGEQA-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000543192037 314120011 /nfs/dbraw/zinc/12/00/11/314120011.db2.gz LTIMHRPCMIGEQA-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cncnc2)cc1 ZINC000543603447 314145213 /nfs/dbraw/zinc/14/52/13/314145213.db2.gz VFAJSIPRDYJETM-HXUWFJFHSA-N 2 2 322.456 3.030 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528332 314196782 /nfs/dbraw/zinc/19/67/82/314196782.db2.gz FHLWTRNUUATUDF-VQTJNVASSA-N 2 2 316.489 3.194 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528332 314196786 /nfs/dbraw/zinc/19/67/86/314196786.db2.gz FHLWTRNUUATUDF-VQTJNVASSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528332 314196789 /nfs/dbraw/zinc/19/67/89/314196789.db2.gz FHLWTRNUUATUDF-VQTJNVASSA-N 2 2 316.489 3.194 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544528332 314196792 /nfs/dbraw/zinc/19/67/92/314196792.db2.gz FHLWTRNUUATUDF-VQTJNVASSA-N 2 2 316.489 3.194 20 0 DGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000547448892 314368574 /nfs/dbraw/zinc/36/85/74/314368574.db2.gz IKWAQUDXNBZOKZ-UHFFFAOYSA-N 2 2 301.887 3.349 20 0 DGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000547448892 314368578 /nfs/dbraw/zinc/36/85/78/314368578.db2.gz IKWAQUDXNBZOKZ-UHFFFAOYSA-N 2 2 301.887 3.349 20 0 DGADLP CCC(CC)[C@@H](CNCc1cn2cc(C)ccc2[nH+]1)[NH+](C)C ZINC000551575702 314567064 /nfs/dbraw/zinc/56/70/64/314567064.db2.gz KVLBSCNYVMNMPM-QGZVFWFLSA-N 2 2 302.466 3.099 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccn1 ZINC000556236428 314749607 /nfs/dbraw/zinc/74/96/07/314749607.db2.gz RIVOGHYLUMCRBO-CQSZACIVSA-N 2 2 300.406 3.028 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3COc4c(C)cccc4C3)n2c1 ZINC000562080063 314995468 /nfs/dbraw/zinc/99/54/68/314995468.db2.gz UCHDTZGIVIGJDG-INIZCTEOSA-N 2 2 307.397 3.044 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCOCC1 ZINC000562102430 314997165 /nfs/dbraw/zinc/99/71/65/314997165.db2.gz FKMGYLJMLNYGNR-LJQANCHMSA-N 2 2 313.445 3.226 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000563417931 315113126 /nfs/dbraw/zinc/11/31/26/315113126.db2.gz MZCCRNYQHNBWGQ-FCEWJHQRSA-N 2 2 310.445 3.099 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000563417931 315113128 /nfs/dbraw/zinc/11/31/28/315113128.db2.gz MZCCRNYQHNBWGQ-FCEWJHQRSA-N 2 2 310.445 3.099 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000564826437 315203650 /nfs/dbraw/zinc/20/36/50/315203650.db2.gz KEOYXWVJKPLPDH-ROUUACIJSA-N 2 2 324.472 3.111 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000564826436 315203684 /nfs/dbraw/zinc/20/36/84/315203684.db2.gz KEOYXWVJKPLPDH-QZTJIDSGSA-N 2 2 324.472 3.111 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000565229070 315245142 /nfs/dbraw/zinc/24/51/42/315245142.db2.gz KJWYQLUIMVALOV-AWEZNQCLSA-N 2 2 314.408 3.116 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230948 315245258 /nfs/dbraw/zinc/24/52/58/315245258.db2.gz XTBAZNINIFXFJR-SOLBZPMBSA-N 2 2 318.461 3.090 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230948 315245260 /nfs/dbraw/zinc/24/52/60/315245260.db2.gz XTBAZNINIFXFJR-SOLBZPMBSA-N 2 2 318.461 3.090 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCc3c[nH+]cn3C)nc2c1 ZINC000566018038 315304997 /nfs/dbraw/zinc/30/49/97/315304997.db2.gz SLAGWBWQOLMZBQ-SFHVURJKSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCc3c[nH+]cn3C)nc2c1 ZINC000566018038 315304999 /nfs/dbraw/zinc/30/49/99/315304999.db2.gz SLAGWBWQOLMZBQ-SFHVURJKSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@H+]3CCCc3c[nH+]cn3C)[nH]c2c1 ZINC000566018038 315305002 /nfs/dbraw/zinc/30/50/02/315305002.db2.gz SLAGWBWQOLMZBQ-SFHVURJKSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCCc3c[nH+]cn3C)[nH]c2c1 ZINC000566018038 315305005 /nfs/dbraw/zinc/30/50/05/315305005.db2.gz SLAGWBWQOLMZBQ-SFHVURJKSA-N 2 2 323.444 3.375 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1Br ZINC000566059962 315308116 /nfs/dbraw/zinc/30/81/16/315308116.db2.gz KIRHMZBFPBTWGH-BLLLJJGKSA-N 2 2 323.278 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1Br ZINC000566059962 315308119 /nfs/dbraw/zinc/30/81/19/315308119.db2.gz KIRHMZBFPBTWGH-BLLLJJGKSA-N 2 2 323.278 3.330 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000566088441 315311380 /nfs/dbraw/zinc/31/13/80/315311380.db2.gz NXWXGKNJEAZQGJ-SFHVURJKSA-N 2 2 301.409 3.288 20 0 DGADLP Cc1[nH+]cc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1C ZINC000566498687 315353206 /nfs/dbraw/zinc/35/32/06/315353206.db2.gz GIVHMEHZADDIBP-HNNXBMFYSA-N 2 2 312.461 3.044 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000566500786 315353896 /nfs/dbraw/zinc/35/38/96/315353896.db2.gz MAYAFUPIWWWGEI-QGZVFWFLSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C2CCCCC2)no1 ZINC000566863272 315379783 /nfs/dbraw/zinc/37/97/83/315379783.db2.gz MDYWYJMNQSJJII-ZDUSSCGKSA-N 2 2 317.437 3.134 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)nc2c1 ZINC000566961443 315386440 /nfs/dbraw/zinc/38/64/40/315386440.db2.gz QLNWNIFCUJRGDI-LSDHHAIUSA-N 2 2 300.450 3.272 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)[nH]c2c1 ZINC000566961443 315386441 /nfs/dbraw/zinc/38/64/41/315386441.db2.gz QLNWNIFCUJRGDI-LSDHHAIUSA-N 2 2 300.450 3.272 20 0 DGADLP COc1ccc([C@H]([NH2+]CCc2ccc(C)o2)[C@H]2CCC[NH2+]2)cc1 ZINC000566967818 315386902 /nfs/dbraw/zinc/38/69/02/315386902.db2.gz JYFSTBJZCGWQBX-MOPGFXCFSA-N 2 2 314.429 3.222 20 0 DGADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1sccc1Br ZINC000567041480 315391849 /nfs/dbraw/zinc/39/18/49/315391849.db2.gz GDOJLQDWAFIVGX-SECBINFHSA-N 2 2 303.269 3.303 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569794056 315603948 /nfs/dbraw/zinc/60/39/48/315603948.db2.gz YRESNYSCLQXUIO-RCJHGTSTSA-N 2 2 317.477 3.153 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000570632774 315662824 /nfs/dbraw/zinc/66/28/24/315662824.db2.gz JAQCRCSAFANURG-FUHWJXTLSA-N 2 2 320.502 3.100 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[NH2+]C2CC2)c1 ZINC000570716716 315669967 /nfs/dbraw/zinc/66/99/67/315669967.db2.gz SFNSTELMIFFEAQ-UHFFFAOYSA-N 2 2 312.417 3.041 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@]3([NH+](C)C)CCC[C@H](C)C3)cn2c1 ZINC000576234687 316109041 /nfs/dbraw/zinc/10/90/41/316109041.db2.gz OIXROPRBDLXBPT-KXBFYZLASA-N 2 2 314.477 3.243 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000576247290 316110940 /nfs/dbraw/zinc/11/09/40/316110940.db2.gz PURGIGZWIPBFMK-CQSZACIVSA-N 2 2 323.444 3.207 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594364 316147352 /nfs/dbraw/zinc/14/73/52/316147352.db2.gz UKENWAUIRJKZTJ-GXSJLCMTSA-N 2 2 304.768 3.253 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594364 316147355 /nfs/dbraw/zinc/14/73/55/316147355.db2.gz UKENWAUIRJKZTJ-GXSJLCMTSA-N 2 2 304.768 3.253 20 0 DGADLP Brc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000576943272 316185296 /nfs/dbraw/zinc/18/52/96/316185296.db2.gz DGLPERHZFRYKTR-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000576943272 316185298 /nfs/dbraw/zinc/18/52/98/316185298.db2.gz DGLPERHZFRYKTR-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995777 316190779 /nfs/dbraw/zinc/19/07/79/316190779.db2.gz AYFNVHQEOSPCJH-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995777 316190780 /nfs/dbraw/zinc/19/07/80/316190780.db2.gz AYFNVHQEOSPCJH-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995777 316190781 /nfs/dbraw/zinc/19/07/81/316190781.db2.gz AYFNVHQEOSPCJH-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2F)C[C@H]1C ZINC000576995777 316190782 /nfs/dbraw/zinc/19/07/82/316190782.db2.gz AYFNVHQEOSPCJH-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000577048247 316195880 /nfs/dbraw/zinc/19/58/80/316195880.db2.gz MXSCHYMTMGRNMK-KSZLIROESA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000577048247 316195882 /nfs/dbraw/zinc/19/58/82/316195882.db2.gz MXSCHYMTMGRNMK-KSZLIROESA-N 2 2 300.446 3.289 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000577062396 316197831 /nfs/dbraw/zinc/19/78/31/316197831.db2.gz ILRPOASERMOWTN-OAHLLOKOSA-N 2 2 309.251 3.025 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000577062396 316197835 /nfs/dbraw/zinc/19/78/35/316197835.db2.gz ILRPOASERMOWTN-OAHLLOKOSA-N 2 2 309.251 3.025 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000577493636 316241299 /nfs/dbraw/zinc/24/12/99/316241299.db2.gz JGTIUOUXEFZHIY-LBPRGKRZSA-N 2 2 307.438 3.255 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000577493636 316241301 /nfs/dbraw/zinc/24/13/01/316241301.db2.gz JGTIUOUXEFZHIY-LBPRGKRZSA-N 2 2 307.438 3.255 20 0 DGADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000577861877 316278260 /nfs/dbraw/zinc/27/82/60/316278260.db2.gz OVVMMSYLVQWFOR-QGZVFWFLSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000577861877 316278265 /nfs/dbraw/zinc/27/82/65/316278265.db2.gz OVVMMSYLVQWFOR-QGZVFWFLSA-N 2 2 313.445 3.295 20 0 DGADLP CCC[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180454510 323229975 /nfs/dbraw/zinc/22/99/75/323229975.db2.gz RNWSQMPODMURML-UYAOXDASSA-N 2 2 316.489 3.224 20 0 DGADLP CCC[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180454510 323229979 /nfs/dbraw/zinc/22/99/79/323229979.db2.gz RNWSQMPODMURML-UYAOXDASSA-N 2 2 316.489 3.224 20 0 DGADLP c1cn2c(cccc2C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)[nH+]1 ZINC000180703801 323237011 /nfs/dbraw/zinc/23/70/11/323237011.db2.gz APRSAJAFFJFPIQ-LJQANCHMSA-N 2 2 321.424 3.168 20 0 DGADLP c1cn2c(cccc2C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)[nH+]1 ZINC000180703801 323237013 /nfs/dbraw/zinc/23/70/13/323237013.db2.gz APRSAJAFFJFPIQ-LJQANCHMSA-N 2 2 321.424 3.168 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000386594014 323638857 /nfs/dbraw/zinc/63/88/57/323638857.db2.gz SGMLODLRHNCHRK-LPHOPBHVSA-N 3 2 303.494 3.149 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+]Cc3ccc4c(n3)CCC4)[nH]c2c1 ZINC000579926996 323935589 /nfs/dbraw/zinc/93/55/89/323935589.db2.gz INVNIKYUVTYVHP-UHFFFAOYSA-N 2 2 306.413 3.169 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000580551317 324010804 /nfs/dbraw/zinc/01/08/04/324010804.db2.gz JGVBJCBDGSNPHG-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000580551317 324010808 /nfs/dbraw/zinc/01/08/08/324010808.db2.gz JGVBJCBDGSNPHG-DLBZAZTESA-N 2 2 318.461 3.200 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000581081944 324072838 /nfs/dbraw/zinc/07/28/38/324072838.db2.gz GMENLVRUUAJEFF-LLVKDONJSA-N 2 2 311.351 3.468 20 0 DGADLP CCc1nc(C[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cs1 ZINC000582184032 324200147 /nfs/dbraw/zinc/20/01/47/324200147.db2.gz JQAZHIBDYZUXHG-CYBMUJFWSA-N 2 2 307.438 3.019 20 0 DGADLP CCc1nc(C[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cs1 ZINC000582184032 324200151 /nfs/dbraw/zinc/20/01/51/324200151.db2.gz JQAZHIBDYZUXHG-CYBMUJFWSA-N 2 2 307.438 3.019 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000582485677 324236245 /nfs/dbraw/zinc/23/62/45/324236245.db2.gz YSDCPQBFQSXEQE-UHFFFAOYSA-N 2 2 312.417 3.103 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004967 324300863 /nfs/dbraw/zinc/30/08/63/324300863.db2.gz ODHXTVXLBPLZGW-LHHMMCJZSA-N 2 2 302.462 3.368 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004967 324300867 /nfs/dbraw/zinc/30/08/67/324300867.db2.gz ODHXTVXLBPLZGW-LHHMMCJZSA-N 2 2 302.462 3.368 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004966 324300906 /nfs/dbraw/zinc/30/09/06/324300906.db2.gz ODHXTVXLBPLZGW-DARIXABFSA-N 2 2 302.462 3.368 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004966 324300909 /nfs/dbraw/zinc/30/09/09/324300909.db2.gz ODHXTVXLBPLZGW-DARIXABFSA-N 2 2 302.462 3.368 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091544 324312425 /nfs/dbraw/zinc/31/24/25/324312425.db2.gz RZVOLLVEVDRDBR-GOEBONIOSA-N 2 2 319.836 3.251 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091544 324312428 /nfs/dbraw/zinc/31/24/28/324312428.db2.gz RZVOLLVEVDRDBR-GOEBONIOSA-N 2 2 319.836 3.251 20 0 DGADLP COc1ccc2nc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)sc2c1 ZINC000583268790 324333847 /nfs/dbraw/zinc/33/38/47/324333847.db2.gz VGFRNIJEPGYJET-WFASDCNBSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)sc2c1 ZINC000583268790 324333848 /nfs/dbraw/zinc/33/38/48/324333848.db2.gz VGFRNIJEPGYJET-WFASDCNBSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)sc2c1 ZINC000583268790 324333851 /nfs/dbraw/zinc/33/38/51/324333851.db2.gz VGFRNIJEPGYJET-WFASDCNBSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)sc2c1 ZINC000583268790 324333852 /nfs/dbraw/zinc/33/38/52/324333852.db2.gz VGFRNIJEPGYJET-WFASDCNBSA-N 2 2 319.474 3.077 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]CC2(C)CC2)CCOCC1)c1ccccc1 ZINC000583298519 324336158 /nfs/dbraw/zinc/33/61/58/324336158.db2.gz CIJUUZPAVWYKFD-INIZCTEOSA-N 2 2 302.462 3.276 20 0 DGADLP CC[NH2+]CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000583375572 324345422 /nfs/dbraw/zinc/34/54/22/324345422.db2.gz ZHTBADGLXMSJJF-QGZVFWFLSA-N 2 2 305.372 3.038 20 0 DGADLP c1ccc(COc2ccc[nH+]c2N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000584400956 337318824 /nfs/dbraw/zinc/31/88/24/337318824.db2.gz MJEFOJXTYJICEU-HXUWFJFHSA-N 2 2 323.440 3.241 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)o1 ZINC000378958474 1176759293 /nfs/dbraw/zinc/75/92/93/1176759293.db2.gz WHPHOOKZQJAMIU-NWDGAFQWSA-N 2 2 315.255 3.443 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000423298358 500660494 /nfs/dbraw/zinc/66/04/94/500660494.db2.gz OEAJHWQYSWWEHW-BXUZGUMPSA-N 2 2 302.821 3.274 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000414554467 533753233 /nfs/dbraw/zinc/75/32/33/533753233.db2.gz KWGBCVPFFMSJOM-YJBOKZPZSA-N 2 2 307.397 3.236 20 0 DGADLP C[C@@H](C[NH+]1CCCCCC1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302480754 533824421 /nfs/dbraw/zinc/82/44/21/533824421.db2.gz YBPCVCHOJZWQIO-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@H](CCC[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415191410 533866929 /nfs/dbraw/zinc/86/69/29/533866929.db2.gz VHNZUPALUGNPAF-CYBMUJFWSA-N 2 2 314.389 3.123 20 0 DGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294909743 533911612 /nfs/dbraw/zinc/91/16/12/533911612.db2.gz AWMFYNCRZYGFAR-QWHCGFSZSA-N 2 2 309.404 3.102 20 0 DGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000294909743 533911616 /nfs/dbraw/zinc/91/16/16/533911616.db2.gz AWMFYNCRZYGFAR-QWHCGFSZSA-N 2 2 309.404 3.102 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)F)c1 ZINC000427843041 533993324 /nfs/dbraw/zinc/99/33/24/533993324.db2.gz LQJVYMGCNQWBGF-WCQYABFASA-N 2 2 307.344 3.150 20 0 DGADLP C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCC(C)CC1 ZINC000442789533 534087662 /nfs/dbraw/zinc/08/76/62/534087662.db2.gz DZVUFPOFEJXRBI-JKSUJKDBSA-N 2 2 311.473 3.345 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000430921468 534089023 /nfs/dbraw/zinc/08/90/23/534089023.db2.gz TVOOBPNHTYKDCH-INIZCTEOSA-N 2 2 323.440 3.295 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[NH2+]CC1 ZINC000430921468 534089034 /nfs/dbraw/zinc/08/90/34/534089034.db2.gz TVOOBPNHTYKDCH-INIZCTEOSA-N 2 2 323.440 3.295 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[NH2+]C2CCCCCC2)o1 ZINC000414815765 534204271 /nfs/dbraw/zinc/20/42/71/534204271.db2.gz UZWBSEVPURGMSY-UHFFFAOYSA-N 2 2 316.449 3.380 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)co2)cc1 ZINC000317311296 534213369 /nfs/dbraw/zinc/21/33/69/534213369.db2.gz VEDGTAJHEZDBDC-KRWDZBQOSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)co2)cc1 ZINC000317311296 534213374 /nfs/dbraw/zinc/21/33/74/534213374.db2.gz VEDGTAJHEZDBDC-KRWDZBQOSA-N 2 2 301.434 3.455 20 0 DGADLP C[C@@H]([N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691122 534285500 /nfs/dbraw/zinc/28/55/00/534285500.db2.gz VIWVKYUOXZIUOO-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]([N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691122 534285503 /nfs/dbraw/zinc/28/55/03/534285503.db2.gz VIWVKYUOXZIUOO-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]([NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691122 534285505 /nfs/dbraw/zinc/28/55/05/534285505.db2.gz VIWVKYUOXZIUOO-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]([NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691122 534285509 /nfs/dbraw/zinc/28/55/09/534285509.db2.gz VIWVKYUOXZIUOO-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586494 534366462 /nfs/dbraw/zinc/36/64/62/534366462.db2.gz WIHZKQXGKKDNMK-PBHICJAKSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586494 534366471 /nfs/dbraw/zinc/36/64/71/534366471.db2.gz WIHZKQXGKKDNMK-PBHICJAKSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000443586494 534366480 /nfs/dbraw/zinc/36/64/80/534366480.db2.gz WIHZKQXGKKDNMK-PBHICJAKSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000443586494 534366489 /nfs/dbraw/zinc/36/64/89/534366489.db2.gz WIHZKQXGKKDNMK-PBHICJAKSA-N 2 2 305.491 3.209 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)nc1 ZINC000427856862 534497454 /nfs/dbraw/zinc/49/74/54/534497454.db2.gz XOSBSMZYHNHAIA-VQIMIIECSA-N 2 2 322.387 3.111 20 0 DGADLP c1ccc([C@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCCC2)cc1 ZINC000444123762 534498867 /nfs/dbraw/zinc/49/88/67/534498867.db2.gz RXTGRUDPQQOBON-FQEVSTJZSA-N 2 2 318.424 3.301 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cs2)c1 ZINC000415077530 534513511 /nfs/dbraw/zinc/51/35/11/534513511.db2.gz FJWDRHDUQDBRKV-RBSFLKMASA-N 2 2 317.458 3.413 20 0 DGADLP c1coc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415033697 534513696 /nfs/dbraw/zinc/51/36/96/534513696.db2.gz BWDKXMXFJBMGPM-HIFRSBDPSA-N 2 2 317.458 3.367 20 0 DGADLP c1coc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415033697 534513699 /nfs/dbraw/zinc/51/36/99/534513699.db2.gz BWDKXMXFJBMGPM-HIFRSBDPSA-N 2 2 317.458 3.367 20 0 DGADLP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000415057123 534621285 /nfs/dbraw/zinc/62/12/85/534621285.db2.gz QXAWNVBBPVOTPZ-HXUWFJFHSA-N 3 2 320.440 3.442 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)on2)cc1 ZINC000428029422 534632350 /nfs/dbraw/zinc/63/23/50/534632350.db2.gz ANTLBFCBSDINLA-CZUORRHYSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)on2)cc1 ZINC000428029422 534632356 /nfs/dbraw/zinc/63/23/56/534632356.db2.gz ANTLBFCBSDINLA-CZUORRHYSA-N 2 2 317.820 3.179 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccc(O)c1Cl ZINC000328309510 534689470 /nfs/dbraw/zinc/68/94/70/534689470.db2.gz FUWAWIGKIIHWNG-UHFFFAOYSA-N 2 2 315.804 3.494 20 0 DGADLP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1OC ZINC000156700445 524004262 /nfs/dbraw/zinc/00/42/62/524004262.db2.gz NTMNPRYOMNLSHQ-CYBMUJFWSA-N 2 2 314.857 3.162 20 0 DGADLP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1OC ZINC000156700445 524004264 /nfs/dbraw/zinc/00/42/64/524004264.db2.gz NTMNPRYOMNLSHQ-CYBMUJFWSA-N 2 2 314.857 3.162 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000415052344 526621096 /nfs/dbraw/zinc/62/10/96/526621096.db2.gz KSFAZWDXDXNGDL-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309689548 527020139 /nfs/dbraw/zinc/02/01/39/527020139.db2.gz VTRPKEUWQURTAX-SFHVURJKSA-N 2 2 304.478 3.039 20 0 DGADLP CC(C)(CCCO)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309689548 527020146 /nfs/dbraw/zinc/02/01/46/527020146.db2.gz VTRPKEUWQURTAX-SFHVURJKSA-N 2 2 304.478 3.039 20 0 DGADLP CCC[C@H](CC)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415123846 528104488 /nfs/dbraw/zinc/10/44/88/528104488.db2.gz BIVZNWLITNEEER-SFHVURJKSA-N 3 2 303.494 3.148 20 0 DGADLP CCC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CC[NH2+]CC1 ZINC000431065952 528155343 /nfs/dbraw/zinc/15/53/43/528155343.db2.gz LALYNWCPAJWITN-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP CCC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CC[NH2+]CC1 ZINC000431065952 528155345 /nfs/dbraw/zinc/15/53/45/528155345.db2.gz LALYNWCPAJWITN-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430584498 528197877 /nfs/dbraw/zinc/19/78/77/528197877.db2.gz ZKKFJXHFQHKYGG-HRCADAONSA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430584498 528197883 /nfs/dbraw/zinc/19/78/83/528197883.db2.gz ZKKFJXHFQHKYGG-HRCADAONSA-N 2 2 317.477 3.196 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443990152 528204842 /nfs/dbraw/zinc/20/48/42/528204842.db2.gz SCWKPGZTDZWGFQ-UHFFFAOYSA-N 2 2 307.385 3.126 20 0 DGADLP CC(C)c1cnc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000328642189 528215886 /nfs/dbraw/zinc/21/58/86/528215886.db2.gz QYLYQFIRORYLMV-GXTWGEPZSA-N 2 2 320.462 3.010 20 0 DGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415040762 528226608 /nfs/dbraw/zinc/22/66/08/528226608.db2.gz KJVBLEDBNYEAPW-VQTJNVASSA-N 2 2 310.441 3.319 20 0 DGADLP CC(C)c1nc(N[C@@H](C)C2=CC[N@H+](C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433763235 528265549 /nfs/dbraw/zinc/26/55/49/528265549.db2.gz CUJUJPNUHLXIOR-AWEZNQCLSA-N 2 2 316.493 3.382 20 0 DGADLP CC(C)c1nc(N[C@@H](C)C2=CC[N@@H+](C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433763235 528265552 /nfs/dbraw/zinc/26/55/52/528265552.db2.gz CUJUJPNUHLXIOR-AWEZNQCLSA-N 2 2 316.493 3.382 20 0 DGADLP CC(C)n1c[nH+]cc1CNc1cccc(OCC[NH+](C)C)c1 ZINC000317744861 528629883 /nfs/dbraw/zinc/62/98/83/528629883.db2.gz QWAZZVNMVHFZBG-UHFFFAOYSA-N 2 2 302.422 3.017 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422834165 528688299 /nfs/dbraw/zinc/68/82/99/528688299.db2.gz WWCIARFLCLHSKY-ZDUSSCGKSA-N 2 2 315.417 3.142 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000322877011 528827111 /nfs/dbraw/zinc/82/71/11/528827111.db2.gz AIQCCVZEIABDDW-CVEARBPZSA-N 2 2 312.461 3.163 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000322877011 528827113 /nfs/dbraw/zinc/82/71/13/528827113.db2.gz AIQCCVZEIABDDW-CVEARBPZSA-N 2 2 312.461 3.163 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000430562215 528860091 /nfs/dbraw/zinc/86/00/91/528860091.db2.gz PZTKNPDPQOPAIM-QGZVFWFLSA-N 2 2 303.475 3.197 20 0 DGADLP CC[N@H+](Cc1ncc(-c2ccccc2F)o1)[C@H]1CCC[NH2+]CC1 ZINC000435613126 528887205 /nfs/dbraw/zinc/88/72/05/528887205.db2.gz IZJILUVJCLADHC-AWEZNQCLSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1ncc(-c2ccccc2F)o1)[C@H]1CCC[NH2+]CC1 ZINC000435613126 528887212 /nfs/dbraw/zinc/88/72/12/528887212.db2.gz IZJILUVJCLADHC-AWEZNQCLSA-N 2 2 317.408 3.445 20 0 DGADLP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166942091 529039208 /nfs/dbraw/zinc/03/92/08/529039208.db2.gz OBJQMPWGKUMSTI-HNNXBMFYSA-N 2 2 319.792 3.449 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430585987 529273790 /nfs/dbraw/zinc/27/37/90/529273790.db2.gz UQKPVNUYQYAEQL-KSSFIOAISA-N 2 2 305.466 3.102 20 0 DGADLP CC(C)COC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000459389606 535181452 /nfs/dbraw/zinc/18/14/52/535181452.db2.gz AGPBNYANGKPOBO-QGZVFWFLSA-N 2 2 306.450 3.210 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000471803862 535216265 /nfs/dbraw/zinc/21/62/65/535216265.db2.gz JZCJCUXZFAAYGH-HKUYNNGSSA-N 2 2 318.505 3.428 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000471803862 535216271 /nfs/dbraw/zinc/21/62/71/535216271.db2.gz JZCJCUXZFAAYGH-HKUYNNGSSA-N 2 2 318.505 3.428 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC)c(F)c2)C1 ZINC000494931546 535262641 /nfs/dbraw/zinc/26/26/41/535262641.db2.gz AWDVEHMLHOVHMX-INIZCTEOSA-N 2 2 308.441 3.388 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)s1 ZINC000090400706 545827352 /nfs/dbraw/zinc/82/73/52/545827352.db2.gz XRMRSOOOLPCGRS-LLVKDONJSA-N 2 2 300.431 3.460 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000121324858 545894603 /nfs/dbraw/zinc/89/46/03/545894603.db2.gz NBTWYNZBFVMRLL-QUCCMNQESA-N 2 2 314.473 3.090 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000121324858 545894608 /nfs/dbraw/zinc/89/46/08/545894608.db2.gz NBTWYNZBFVMRLL-QUCCMNQESA-N 2 2 314.473 3.090 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123798800 545907684 /nfs/dbraw/zinc/90/76/84/545907684.db2.gz HCNRGXFARXINTH-KZNAEPCWSA-N 2 2 319.493 3.270 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123798800 545907686 /nfs/dbraw/zinc/90/76/86/545907686.db2.gz HCNRGXFARXINTH-KZNAEPCWSA-N 2 2 319.493 3.270 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000133894964 545969375 /nfs/dbraw/zinc/96/93/75/545969375.db2.gz DCDWOLLUQNCHFK-JXFKEZNVSA-N 3 2 317.521 3.172 20 0 DGADLP CCCCc1nc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000151170292 545992003 /nfs/dbraw/zinc/99/20/03/545992003.db2.gz NTYNRIOTDCUYIV-UHFFFAOYSA-N 2 2 316.474 3.203 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CC(C)(C)OC3(C)C)[nH+]c12 ZINC000156342496 546033378 /nfs/dbraw/zinc/03/33/78/546033378.db2.gz PKUJLHQIKHCKHT-OAHLLOKOSA-N 2 2 301.434 3.121 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157654278 546042024 /nfs/dbraw/zinc/04/20/24/546042024.db2.gz XZPLYYQXAWSUDU-WMZOPIPTSA-N 2 2 300.446 3.283 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157654278 546042028 /nfs/dbraw/zinc/04/20/28/546042028.db2.gz XZPLYYQXAWSUDU-WMZOPIPTSA-N 2 2 300.446 3.283 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000163721215 546084970 /nfs/dbraw/zinc/08/49/70/546084970.db2.gz KTZPWEMHXXNVRD-LJQANCHMSA-N 2 2 302.462 3.155 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000167882727 546097801 /nfs/dbraw/zinc/09/78/01/546097801.db2.gz QKXZJRHESULOFC-SJORKVTESA-N 3 2 317.521 3.436 20 0 DGADLP CC[C@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[NH+](C)C ZINC000178406681 546129371 /nfs/dbraw/zinc/12/93/71/546129371.db2.gz WNNRNPCYTVFPPV-OAHLLOKOSA-N 2 2 314.433 3.041 20 0 DGADLP Oc1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000237967043 546291040 /nfs/dbraw/zinc/29/10/40/546291040.db2.gz WPLXMBRMQPWEMC-MRXNPFEDSA-N 2 2 302.443 3.380 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000247099326 546308786 /nfs/dbraw/zinc/30/87/86/546308786.db2.gz SGMRTMADVHZBFB-HGHGUNKESA-N 2 2 321.468 3.222 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000247099326 546308788 /nfs/dbraw/zinc/30/87/88/546308788.db2.gz SGMRTMADVHZBFB-HGHGUNKESA-N 2 2 321.468 3.222 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000279773586 546376732 /nfs/dbraw/zinc/37/67/32/546376732.db2.gz ALKFMOKABXQEOJ-UZLBHIALSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000279773586 546376738 /nfs/dbraw/zinc/37/67/38/546376738.db2.gz ALKFMOKABXQEOJ-UZLBHIALSA-N 2 2 309.457 3.043 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303491098 546439801 /nfs/dbraw/zinc/43/98/01/546439801.db2.gz LEHKXCMVMIIAOA-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303491098 546439802 /nfs/dbraw/zinc/43/98/02/546439802.db2.gz LEHKXCMVMIIAOA-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc[nH+]1 ZINC000309921688 546451737 /nfs/dbraw/zinc/45/17/37/546451737.db2.gz RCFUEEGXWXQJGI-OKZBNKHCSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc[nH+]1 ZINC000309921688 546451740 /nfs/dbraw/zinc/45/17/40/546451740.db2.gz RCFUEEGXWXQJGI-OKZBNKHCSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc[nH+]1 ZINC000309921687 546451760 /nfs/dbraw/zinc/45/17/60/546451760.db2.gz RCFUEEGXWXQJGI-KZNAEPCWSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc[nH+]1 ZINC000309921687 546451762 /nfs/dbraw/zinc/45/17/62/546451762.db2.gz RCFUEEGXWXQJGI-KZNAEPCWSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)co2)cc1 ZINC000339074022 546533087 /nfs/dbraw/zinc/53/30/87/546533087.db2.gz IAFAHBSRNQCHLA-AEFFLSMTSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)co2)cc1 ZINC000339074022 546533092 /nfs/dbraw/zinc/53/30/92/546533092.db2.gz IAFAHBSRNQCHLA-AEFFLSMTSA-N 2 2 311.429 3.366 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[C@@H]3C3CC3)[nH+]c2)CC1 ZINC000348383096 546588610 /nfs/dbraw/zinc/58/86/10/546588610.db2.gz IPDLAQRBYUDLEM-MSOLQXFVSA-N 2 2 314.477 3.213 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000352751723 546654768 /nfs/dbraw/zinc/65/47/68/546654768.db2.gz WLLCRHMCZAOYLD-NEPJUHHUSA-N 2 2 317.296 3.473 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352783083 546656124 /nfs/dbraw/zinc/65/61/24/546656124.db2.gz XAGYREPTXSVCSI-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352783083 546656128 /nfs/dbraw/zinc/65/61/28/546656128.db2.gz XAGYREPTXSVCSI-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000390775707 546755274 /nfs/dbraw/zinc/75/52/74/546755274.db2.gz MXHFKBIXSNDGDT-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000390775707 546755279 /nfs/dbraw/zinc/75/52/79/546755279.db2.gz MXHFKBIXSNDGDT-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(Cc3ccccc3)CCCC2)n1C ZINC000419683828 546804649 /nfs/dbraw/zinc/80/46/49/546804649.db2.gz KYWGJWGBPWLZSJ-UHFFFAOYSA-N 2 2 312.461 3.131 20 0 DGADLP Fc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856401 546812222 /nfs/dbraw/zinc/81/22/22/546812222.db2.gz WCZLCBNAQVMVOW-BXUZGUMPSA-N 2 2 303.406 3.164 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC3CC3)c2F)CC1 ZINC000667494267 547201374 /nfs/dbraw/zinc/20/13/74/547201374.db2.gz UBLAZIXICLDITM-UHFFFAOYSA-N 2 2 306.425 3.283 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC3CC3)c2F)CC1 ZINC000667494267 547201380 /nfs/dbraw/zinc/20/13/80/547201380.db2.gz UBLAZIXICLDITM-UHFFFAOYSA-N 2 2 306.425 3.283 20 0 DGADLP Fc1cccc(CC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000667533397 547214696 /nfs/dbraw/zinc/21/46/96/547214696.db2.gz QJQWHNBGOAQJBK-UHFFFAOYSA-N 2 2 313.420 3.423 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000667560771 547226611 /nfs/dbraw/zinc/22/66/11/547226611.db2.gz BYMYUJQCPDKZHY-MSOLQXFVSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000667560771 547226614 /nfs/dbraw/zinc/22/66/14/547226614.db2.gz BYMYUJQCPDKZHY-MSOLQXFVSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000667560771 547226616 /nfs/dbraw/zinc/22/66/16/547226616.db2.gz BYMYUJQCPDKZHY-MSOLQXFVSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000667560771 547226619 /nfs/dbraw/zinc/22/66/19/547226619.db2.gz BYMYUJQCPDKZHY-MSOLQXFVSA-N 2 2 318.509 3.380 20 0 DGADLP c1[nH+]c2n(c1C[NH+]1CCC(OC3CCCCC3)CC1)CCC2 ZINC000667567386 547229012 /nfs/dbraw/zinc/22/90/12/547229012.db2.gz XSGRGMMJZPGLEB-UHFFFAOYSA-N 2 2 303.450 3.143 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1C ZINC000667601589 547240308 /nfs/dbraw/zinc/24/03/08/547240308.db2.gz FZBQLRHUZKAVJK-UHFFFAOYSA-N 2 2 301.409 3.322 20 0 DGADLP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667680402 547271895 /nfs/dbraw/zinc/27/18/95/547271895.db2.gz GMZDFEDUXQQKHT-CQSZACIVSA-N 2 2 304.463 3.257 20 0 DGADLP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667680402 547271899 /nfs/dbraw/zinc/27/18/99/547271899.db2.gz GMZDFEDUXQQKHT-CQSZACIVSA-N 2 2 304.463 3.257 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000667688271 547274819 /nfs/dbraw/zinc/27/48/19/547274819.db2.gz LJCRCIWQCPDWSQ-INIZCTEOSA-N 3 2 318.509 3.205 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000667688271 547274823 /nfs/dbraw/zinc/27/48/23/547274823.db2.gz LJCRCIWQCPDWSQ-INIZCTEOSA-N 3 2 318.509 3.205 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000667762496 547295658 /nfs/dbraw/zinc/29/56/58/547295658.db2.gz ZABVUBBUYWMAMV-CEXWTWQISA-N 2 2 302.462 3.009 20 0 DGADLP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668080685 547376863 /nfs/dbraw/zinc/37/68/63/547376863.db2.gz JCEKICNSUDYGME-MRXNPFEDSA-N 2 2 307.825 3.201 20 0 DGADLP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668080685 547376866 /nfs/dbraw/zinc/37/68/66/547376866.db2.gz JCEKICNSUDYGME-MRXNPFEDSA-N 2 2 307.825 3.201 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172244 547402469 /nfs/dbraw/zinc/40/24/69/547402469.db2.gz ILNJUSZGNZZFPV-XJKSGUPXSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172244 547402473 /nfs/dbraw/zinc/40/24/73/547402473.db2.gz ILNJUSZGNZZFPV-XJKSGUPXSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172244 547402480 /nfs/dbraw/zinc/40/24/80/547402480.db2.gz ILNJUSZGNZZFPV-XJKSGUPXSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172244 547402486 /nfs/dbraw/zinc/40/24/86/547402486.db2.gz ILNJUSZGNZZFPV-XJKSGUPXSA-N 2 2 306.425 3.139 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCN2Cc2ccccc2)c[nH+]1 ZINC000668763748 547533813 /nfs/dbraw/zinc/53/38/13/547533813.db2.gz BBGMBMOMVAQDRO-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)[nH]c2c1 ZINC000668787102 547542474 /nfs/dbraw/zinc/54/24/74/547542474.db2.gz NQTJEICYPNSVKF-SFHVURJKSA-N 2 2 315.461 3.019 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)[nH]c2c1 ZINC000668787102 547542475 /nfs/dbraw/zinc/54/24/75/547542475.db2.gz NQTJEICYPNSVKF-SFHVURJKSA-N 2 2 315.461 3.019 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000668793371 547543426 /nfs/dbraw/zinc/54/34/26/547543426.db2.gz YVWKCIZADYNISG-ICSRJNTNSA-N 2 2 324.472 3.053 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c[nH+]1 ZINC000668819375 547549552 /nfs/dbraw/zinc/54/95/52/547549552.db2.gz OLKYPKXBZQZBBC-IBGZPJMESA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c[nH+]1 ZINC000668819375 547549557 /nfs/dbraw/zinc/54/95/57/547549557.db2.gz OLKYPKXBZQZBBC-IBGZPJMESA-N 3 2 301.478 3.034 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000669418422 547635638 /nfs/dbraw/zinc/63/56/38/547635638.db2.gz WRKFPNHQAIYDJT-MOPGFXCFSA-N 3 2 321.553 3.349 20 0 DGADLP Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714429 547677260 /nfs/dbraw/zinc/67/72/60/547677260.db2.gz OWQUUBNWTLHLMO-INIZCTEOSA-N 2 2 311.429 3.305 20 0 DGADLP Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000669714429 547677264 /nfs/dbraw/zinc/67/72/64/547677264.db2.gz OWQUUBNWTLHLMO-INIZCTEOSA-N 2 2 311.429 3.305 20 0 DGADLP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccsc1 ZINC000669819011 547688295 /nfs/dbraw/zinc/68/82/95/547688295.db2.gz KOLOZEVKAOKRLL-NSHDSACASA-N 2 2 322.397 3.445 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986278 547767769 /nfs/dbraw/zinc/76/77/69/547767769.db2.gz CGVPXPUPXVGVEQ-OALUTQOASA-N 2 2 320.452 3.464 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986278 547767773 /nfs/dbraw/zinc/76/77/73/547767773.db2.gz CGVPXPUPXVGVEQ-OALUTQOASA-N 2 2 320.452 3.464 20 0 DGADLP C[C@H]1C[N@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000672201312 547863081 /nfs/dbraw/zinc/86/30/81/547863081.db2.gz WZTYDRJYKVHDFI-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000672201312 547863085 /nfs/dbraw/zinc/86/30/85/547863085.db2.gz WZTYDRJYKVHDFI-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP Clc1cccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000675292931 548184471 /nfs/dbraw/zinc/18/44/71/548184471.db2.gz OPSSGLFGUQFRQX-HNNXBMFYSA-N 2 2 305.809 3.252 20 0 DGADLP Clc1cccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000675292931 548184474 /nfs/dbraw/zinc/18/44/74/548184474.db2.gz OPSSGLFGUQFRQX-HNNXBMFYSA-N 2 2 305.809 3.252 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC000675736697 548262424 /nfs/dbraw/zinc/26/24/24/548262424.db2.gz YXMLIAJVMRJEON-GOSISDBHSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000675741248 548263013 /nfs/dbraw/zinc/26/30/13/548263013.db2.gz GMQQWMSLVAXQRM-NVXWUHKLSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000675741248 548263017 /nfs/dbraw/zinc/26/30/17/548263017.db2.gz GMQQWMSLVAXQRM-NVXWUHKLSA-N 2 2 311.429 3.446 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766118 548266229 /nfs/dbraw/zinc/26/62/29/548266229.db2.gz UOMKDJPMKJLKBC-SWLSCSKDSA-N 2 2 314.351 3.256 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766118 548266236 /nfs/dbraw/zinc/26/62/36/548266236.db2.gz UOMKDJPMKJLKBC-SWLSCSKDSA-N 2 2 314.351 3.256 20 0 DGADLP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCOCC1 ZINC000675772711 548268349 /nfs/dbraw/zinc/26/83/49/548268349.db2.gz BZROVOLSXHUGDA-OAHLLOKOSA-N 2 2 301.434 3.290 20 0 DGADLP COCCC[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917731 548291560 /nfs/dbraw/zinc/29/15/60/548291560.db2.gz CFZKJAFQBIPZKX-RDJZCZTQSA-N 2 2 301.434 3.109 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000675928275 548293742 /nfs/dbraw/zinc/29/37/42/548293742.db2.gz MYDQSROHNNBFGF-MBOZVWFJSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000675928275 548293747 /nfs/dbraw/zinc/29/37/47/548293747.db2.gz MYDQSROHNNBFGF-MBOZVWFJSA-N 2 2 324.472 3.080 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000675929592 548294905 /nfs/dbraw/zinc/29/49/05/548294905.db2.gz TWKSVQZKJUBSGA-IBGZPJMESA-N 2 2 302.462 3.228 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235791 548335916 /nfs/dbraw/zinc/33/59/16/548335916.db2.gz OCAWGVJLZYRFDG-WMZOPIPTSA-N 2 2 300.446 3.073 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235791 548335917 /nfs/dbraw/zinc/33/59/17/548335917.db2.gz OCAWGVJLZYRFDG-WMZOPIPTSA-N 2 2 300.446 3.073 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)[C@H]3CCCCO3)n2c1 ZINC000676418823 548361630 /nfs/dbraw/zinc/36/16/30/548361630.db2.gz IPFHFDQDJFOWNW-MRXNPFEDSA-N 2 2 301.434 3.328 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000676572237 548382649 /nfs/dbraw/zinc/38/26/49/548382649.db2.gz RPOCWEGZSWFTTA-HUUCEWRRSA-N 2 2 303.381 3.059 20 0 DGADLP COCC[N@@H+]1CCC[C@H](Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000677744965 548549777 /nfs/dbraw/zinc/54/97/77/548549777.db2.gz QTRYGQGDAAPYBB-HNNXBMFYSA-N 2 2 320.481 3.246 20 0 DGADLP COCC[N@H+]1CCC[C@H](Nc2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000677744965 548549782 /nfs/dbraw/zinc/54/97/82/548549782.db2.gz QTRYGQGDAAPYBB-HNNXBMFYSA-N 2 2 320.481 3.246 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234850 548648866 /nfs/dbraw/zinc/64/88/66/548648866.db2.gz MJMYVJJWPNGIOL-DZGCQCFKSA-N 2 2 318.446 3.028 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234850 548648870 /nfs/dbraw/zinc/64/88/70/548648870.db2.gz MJMYVJJWPNGIOL-DZGCQCFKSA-N 2 2 318.446 3.028 20 0 DGADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2O1 ZINC000678235665 548649102 /nfs/dbraw/zinc/64/91/02/548649102.db2.gz XRHARVAVDPOTOD-KRWDZBQOSA-N 2 2 311.429 3.434 20 0 DGADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2O1 ZINC000678235665 548649105 /nfs/dbraw/zinc/64/91/05/548649105.db2.gz XRHARVAVDPOTOD-KRWDZBQOSA-N 2 2 311.429 3.434 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000678336711 548680856 /nfs/dbraw/zinc/68/08/56/548680856.db2.gz JBYIWKDPQQKDTD-JFIYKMOQSA-N 2 2 311.429 3.332 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000678336711 548680860 /nfs/dbraw/zinc/68/08/60/548680860.db2.gz JBYIWKDPQQKDTD-JFIYKMOQSA-N 2 2 311.429 3.332 20 0 DGADLP OC[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000678605314 548738473 /nfs/dbraw/zinc/73/84/73/548738473.db2.gz CLGMORQODNEOPB-SFHVURJKSA-N 2 2 322.880 3.055 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000678735377 548754540 /nfs/dbraw/zinc/75/45/40/548754540.db2.gz USMUTDVKBXJNPU-PXNSSMCTSA-N 2 2 312.457 3.139 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000678735377 548754544 /nfs/dbraw/zinc/75/45/44/548754544.db2.gz USMUTDVKBXJNPU-PXNSSMCTSA-N 2 2 312.457 3.139 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2c(F)cccc2OC(F)F)CC1 ZINC000678772134 548760582 /nfs/dbraw/zinc/76/05/82/548760582.db2.gz FZHVVHPIFZCWMW-UHFFFAOYSA-N 2 2 316.367 3.391 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000678936568 548796941 /nfs/dbraw/zinc/79/69/41/548796941.db2.gz FGOFJDPXZBHEOX-JSGCOSHPSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000678936568 548796944 /nfs/dbraw/zinc/79/69/44/548796944.db2.gz FGOFJDPXZBHEOX-JSGCOSHPSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000678939865 548797297 /nfs/dbraw/zinc/79/72/97/548797297.db2.gz WJKRLBQDLCWBCE-WBMJQRKESA-N 2 2 323.278 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000678939865 548797301 /nfs/dbraw/zinc/79/73/01/548797301.db2.gz WJKRLBQDLCWBCE-WBMJQRKESA-N 2 2 323.278 3.330 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccnc1 ZINC000678999787 548810133 /nfs/dbraw/zinc/81/01/33/548810133.db2.gz ZKTWJHQLKDXBJF-UHFFFAOYSA-N 2 2 323.444 3.385 20 0 DGADLP CC(C)C[C@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042641 548821666 /nfs/dbraw/zinc/82/16/66/548821666.db2.gz CBGKEEWWMLXIEO-HKUYNNGSSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)C[C@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042641 548821669 /nfs/dbraw/zinc/82/16/69/548821669.db2.gz CBGKEEWWMLXIEO-HKUYNNGSSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000679042560 548821793 /nfs/dbraw/zinc/82/17/93/548821793.db2.gz PRQRSHKJCQCSJP-GPCCPHFNSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000679042560 548821795 /nfs/dbraw/zinc/82/17/95/548821795.db2.gz PRQRSHKJCQCSJP-GPCCPHFNSA-N 2 2 315.230 3.189 20 0 DGADLP CCC[C@@H](CC)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044162 548822468 /nfs/dbraw/zinc/82/24/68/548822468.db2.gz LNWBZCBFVXEZQE-MOPGFXCFSA-N 2 2 304.478 3.182 20 0 DGADLP CCC[C@@H](CC)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044162 548822470 /nfs/dbraw/zinc/82/24/70/548822470.db2.gz LNWBZCBFVXEZQE-MOPGFXCFSA-N 2 2 304.478 3.182 20 0 DGADLP COc1ccc(N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)[nH+]c1 ZINC000679068713 548825500 /nfs/dbraw/zinc/82/55/00/548825500.db2.gz MZKKUPBCCZDVKW-AWEZNQCLSA-N 2 2 315.417 3.204 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)CCCCO)[NH+]2CCCC2)cc1 ZINC000679338494 548881637 /nfs/dbraw/zinc/88/16/37/548881637.db2.gz OWDBXKLKRBEMBK-HKUYNNGSSA-N 2 2 304.478 3.273 20 0 DGADLP CCc1cccnc1[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000679575105 548920320 /nfs/dbraw/zinc/92/03/20/548920320.db2.gz OAICGJFTZRVCHY-HNNXBMFYSA-N 2 2 308.429 3.493 20 0 DGADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000679723479 548944393 /nfs/dbraw/zinc/94/43/93/548944393.db2.gz LQQKMYWSXLUMGK-QXAKKESOSA-N 2 2 311.429 3.065 20 0 DGADLP c1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000679723479 548944395 /nfs/dbraw/zinc/94/43/95/548944395.db2.gz LQQKMYWSXLUMGK-QXAKKESOSA-N 2 2 311.429 3.065 20 0 DGADLP CCc1cc(N2CCC[N@H+](Cc3ccccc3C)CC2)nc(C)[nH+]1 ZINC000679836857 548955156 /nfs/dbraw/zinc/95/51/56/548955156.db2.gz FYRSYYPCQNHUFW-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP CCc1cc(N2CCC[N@@H+](Cc3ccccc3C)CC2)nc(C)[nH+]1 ZINC000679836857 548955159 /nfs/dbraw/zinc/95/51/59/548955159.db2.gz FYRSYYPCQNHUFW-UHFFFAOYSA-N 2 2 324.472 3.368 20 0 DGADLP CCc1cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000679838733 548955758 /nfs/dbraw/zinc/95/57/58/548955758.db2.gz IVRDPKFOKJXDGE-GOSISDBHSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000679838733 548955762 /nfs/dbraw/zinc/95/57/62/548955762.db2.gz IVRDPKFOKJXDGE-GOSISDBHSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)nc(C)[nH+]1 ZINC000679838867 548955878 /nfs/dbraw/zinc/95/58/78/548955878.db2.gz VZFISHMRIPHXRF-QGZVFWFLSA-N 2 2 321.428 3.477 20 0 DGADLP COc1ccc(C2CCC([NH2+][C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000680330302 549029748 /nfs/dbraw/zinc/02/97/48/549029748.db2.gz LZOUAJVHBPIPJK-VJFUWPCTSA-N 2 2 302.462 3.405 20 0 DGADLP COc1ccc(C2CCC([NH2+][C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000680330302 549029751 /nfs/dbraw/zinc/02/97/51/549029751.db2.gz LZOUAJVHBPIPJK-VJFUWPCTSA-N 2 2 302.462 3.405 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000680382171 549044462 /nfs/dbraw/zinc/04/44/62/549044462.db2.gz FLNZUSCRYGORAK-PHIMTYICSA-N 2 2 320.437 3.288 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3C[C@H](OC(C)C)C3(C)C)[nH+]c12 ZINC000680938213 549132125 /nfs/dbraw/zinc/13/21/25/549132125.db2.gz FFORZTDNHPAQFS-SJORKVTESA-N 2 2 315.461 3.367 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2(CO)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000681135493 549166155 /nfs/dbraw/zinc/16/61/55/549166155.db2.gz RQDFFJDUPGFFPX-SFHVURJKSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC2(CO)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000681135493 549166159 /nfs/dbraw/zinc/16/61/59/549166159.db2.gz RQDFFJDUPGFFPX-SFHVURJKSA-N 2 2 316.489 3.182 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000681136995 549167383 /nfs/dbraw/zinc/16/73/83/549167383.db2.gz FPQFCEWEXWYNMN-LJQANCHMSA-N 2 2 316.489 3.381 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000681743214 549248791 /nfs/dbraw/zinc/24/87/91/549248791.db2.gz FSPSVBVEEUKALT-PKOBYXMFSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H](CCCCO)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000681743214 549248794 /nfs/dbraw/zinc/24/87/94/549248794.db2.gz FSPSVBVEEUKALT-PKOBYXMFSA-N 2 2 304.478 3.182 20 0 DGADLP Fc1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000682085280 549287967 /nfs/dbraw/zinc/28/79/67/549287967.db2.gz PKHFGFBDIPMJSM-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCCS2 ZINC000682131773 549293576 /nfs/dbraw/zinc/29/35/76/549293576.db2.gz FXDZUASOMRKRNY-XJKSGUPXSA-N 2 2 306.475 3.306 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000682131773 549293579 /nfs/dbraw/zinc/29/35/79/549293579.db2.gz FXDZUASOMRKRNY-XJKSGUPXSA-N 2 2 306.475 3.306 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCCS2 ZINC000682131771 549293658 /nfs/dbraw/zinc/29/36/58/549293658.db2.gz FXDZUASOMRKRNY-CJNGLKHVSA-N 2 2 306.475 3.306 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000682131771 549293663 /nfs/dbraw/zinc/29/36/63/549293663.db2.gz FXDZUASOMRKRNY-CJNGLKHVSA-N 2 2 306.475 3.306 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134230 549294784 /nfs/dbraw/zinc/29/47/84/549294784.db2.gz WYPUFRCBNUKZLK-PXNSSMCTSA-N 2 2 311.473 3.126 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134230 549294787 /nfs/dbraw/zinc/29/47/87/549294787.db2.gz WYPUFRCBNUKZLK-PXNSSMCTSA-N 2 2 311.473 3.126 20 0 DGADLP C[NH+](C)CCc1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)cc1 ZINC000682415416 549319337 /nfs/dbraw/zinc/31/93/37/549319337.db2.gz QTUCCAFPOOHSAF-UHFFFAOYSA-N 2 2 312.461 3.490 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000682765546 549368026 /nfs/dbraw/zinc/36/80/26/549368026.db2.gz DMOGWQILHJORPI-IEBWSBKVSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000682765546 549368030 /nfs/dbraw/zinc/36/80/30/549368030.db2.gz DMOGWQILHJORPI-IEBWSBKVSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000683025978 549417181 /nfs/dbraw/zinc/41/71/81/549417181.db2.gz YGFPUDAVNXZGQS-PXNSSMCTSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000683025978 549417183 /nfs/dbraw/zinc/41/71/83/549417183.db2.gz YGFPUDAVNXZGQS-PXNSSMCTSA-N 2 2 309.457 3.390 20 0 DGADLP CC(C)C1CC([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000683107357 549430132 /nfs/dbraw/zinc/43/01/32/549430132.db2.gz KTTDNPGYAINFFG-MHJFOBGBSA-N 2 2 316.489 3.038 20 0 DGADLP CC(C)C1CC([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000683107357 549430134 /nfs/dbraw/zinc/43/01/34/549430134.db2.gz KTTDNPGYAINFFG-MHJFOBGBSA-N 2 2 316.489 3.038 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000683519041 549496617 /nfs/dbraw/zinc/49/66/17/549496617.db2.gz MGOCZGRIXDLVNU-AWEZNQCLSA-N 2 2 310.323 3.134 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000683519041 549496621 /nfs/dbraw/zinc/49/66/21/549496621.db2.gz MGOCZGRIXDLVNU-AWEZNQCLSA-N 2 2 310.323 3.134 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000683726892 549526787 /nfs/dbraw/zinc/52/67/87/549526787.db2.gz NYGOTKOUXGCXTF-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000683726892 549526789 /nfs/dbraw/zinc/52/67/89/549526789.db2.gz NYGOTKOUXGCXTF-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000683771733 549533950 /nfs/dbraw/zinc/53/39/50/549533950.db2.gz HZTWKALMZCLSHC-XKGZKEIXSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000683771733 549533953 /nfs/dbraw/zinc/53/39/53/549533953.db2.gz HZTWKALMZCLSHC-XKGZKEIXSA-N 2 2 316.489 3.038 20 0 DGADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)s2)c1 ZINC000683829598 549543030 /nfs/dbraw/zinc/54/30/30/549543030.db2.gz GKQLALBJMSOIHR-CYBMUJFWSA-N 2 2 314.414 3.437 20 0 DGADLP c1coc(-c2ncc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)s2)c1 ZINC000683829598 549543034 /nfs/dbraw/zinc/54/30/34/549543034.db2.gz GKQLALBJMSOIHR-CYBMUJFWSA-N 2 2 314.414 3.437 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000683829568 549543494 /nfs/dbraw/zinc/54/34/94/549543494.db2.gz FHWDNVYWLSGPMZ-HNNXBMFYSA-N 2 2 303.381 3.258 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000683829568 549543499 /nfs/dbraw/zinc/54/34/99/549543499.db2.gz FHWDNVYWLSGPMZ-HNNXBMFYSA-N 2 2 303.381 3.258 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000683898691 549553633 /nfs/dbraw/zinc/55/36/33/549553633.db2.gz SGRRKNURMJBUQP-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000683898691 549553639 /nfs/dbraw/zinc/55/36/39/549553639.db2.gz SGRRKNURMJBUQP-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000683898691 549553643 /nfs/dbraw/zinc/55/36/43/549553643.db2.gz SGRRKNURMJBUQP-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000683898691 549553647 /nfs/dbraw/zinc/55/36/47/549553647.db2.gz SGRRKNURMJBUQP-WMLDXEAASA-N 2 2 305.466 3.378 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1 ZINC000684366204 549619240 /nfs/dbraw/zinc/61/92/40/549619240.db2.gz MKFFGWIJJISGIK-HOTGVXAUSA-N 2 2 301.434 3.282 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000684369323 549620775 /nfs/dbraw/zinc/62/07/75/549620775.db2.gz UCFRJAQMKNZRSD-BZUAXINKSA-N 2 2 308.491 3.432 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2ccnn2C)C(C)C)c[nH+]1 ZINC000684406608 549631696 /nfs/dbraw/zinc/63/16/96/549631696.db2.gz GUJTXYJAGFARPM-QGZVFWFLSA-N 2 2 300.450 3.086 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613797 549669137 /nfs/dbraw/zinc/66/91/37/549669137.db2.gz MIYUXIAVRYNRBP-NHYWBVRUSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613797 549669139 /nfs/dbraw/zinc/66/91/39/549669139.db2.gz MIYUXIAVRYNRBP-NHYWBVRUSA-N 2 2 301.261 3.466 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ncccc1C(F)(F)F ZINC000685459722 549764196 /nfs/dbraw/zinc/76/41/96/549764196.db2.gz CVSONBPQPGDFIP-UHFFFAOYSA-N 2 2 315.383 3.408 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ncccc1C(F)(F)F ZINC000685459722 549764197 /nfs/dbraw/zinc/76/41/97/549764197.db2.gz CVSONBPQPGDFIP-UHFFFAOYSA-N 2 2 315.383 3.408 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000685562261 549774036 /nfs/dbraw/zinc/77/40/36/549774036.db2.gz GNZGQOZHUUAWRA-QGZVFWFLSA-N 2 2 305.466 3.235 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000685562261 549774038 /nfs/dbraw/zinc/77/40/38/549774038.db2.gz GNZGQOZHUUAWRA-QGZVFWFLSA-N 2 2 305.466 3.235 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190840 574606736 /nfs/dbraw/zinc/60/67/36/574606736.db2.gz NWZGJKNWHGQSJW-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190840 574606739 /nfs/dbraw/zinc/60/67/39/574606739.db2.gz NWZGJKNWHGQSJW-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1occc1Br)C(C)(C)C ZINC000735320817 574697422 /nfs/dbraw/zinc/69/74/22/574697422.db2.gz AQPOIAYDFAMHTG-CYBMUJFWSA-N 2 2 317.271 3.498 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882068 574944881 /nfs/dbraw/zinc/94/48/81/574944881.db2.gz FWRMROHAFIYRFD-FUHWJXTLSA-N 2 2 323.525 3.020 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882068 574944883 /nfs/dbraw/zinc/94/48/83/574944883.db2.gz FWRMROHAFIYRFD-FUHWJXTLSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882068 574944885 /nfs/dbraw/zinc/94/48/85/574944885.db2.gz FWRMROHAFIYRFD-FUHWJXTLSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCCCCCC2)C[C@@H]1C ZINC000740882068 574944887 /nfs/dbraw/zinc/94/48/87/574944887.db2.gz FWRMROHAFIYRFD-FUHWJXTLSA-N 2 2 323.525 3.020 20 0 DGADLP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000741777458 574969917 /nfs/dbraw/zinc/96/99/17/574969917.db2.gz YZEPTMHUAZHOTJ-QGZVFWFLSA-N 2 2 324.509 3.306 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)o1 ZINC000741969481 574978197 /nfs/dbraw/zinc/97/81/97/574978197.db2.gz DFFSVNYZDHTESM-UHFFFAOYSA-N 2 2 312.373 3.021 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000742377965 574994222 /nfs/dbraw/zinc/99/42/22/574994222.db2.gz LJNODGJAJJLJGR-UHFFFAOYSA-N 2 2 319.518 3.207 20 0 DGADLP C[C@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000743262220 575041095 /nfs/dbraw/zinc/04/10/95/575041095.db2.gz REGKPTVCGGXWKL-CQSZACIVSA-N 2 2 323.868 3.133 20 0 DGADLP CC(C)c1cn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=S)n1C ZINC000747457115 575518871 /nfs/dbraw/zinc/51/88/71/575518871.db2.gz ODFKDESNHLWGOJ-AWEZNQCLSA-N 2 2 319.478 3.171 20 0 DGADLP CC(C)c1cn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=S)n1C ZINC000747457115 575518874 /nfs/dbraw/zinc/51/88/74/575518874.db2.gz ODFKDESNHLWGOJ-AWEZNQCLSA-N 2 2 319.478 3.171 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCc4sccc4C3)cn2)c[nH+]1 ZINC000750046071 575699772 /nfs/dbraw/zinc/69/97/72/575699772.db2.gz ZHGVKZMYEIKPGY-UHFFFAOYSA-N 2 2 310.426 3.277 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCc4sccc4C3)cn2)c[nH+]1 ZINC000750046071 575699776 /nfs/dbraw/zinc/69/97/76/575699776.db2.gz ZHGVKZMYEIKPGY-UHFFFAOYSA-N 2 2 310.426 3.277 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000750839545 575754994 /nfs/dbraw/zinc/75/49/94/575754994.db2.gz MSFRGDFTLNTGIT-CZUORRHYSA-N 2 2 321.465 3.386 20 0 DGADLP CC1(C)Cc2cc(C[NH2+]CCCNc3cccc[nH+]3)ccc2O1 ZINC000751507890 575787585 /nfs/dbraw/zinc/78/75/85/575787585.db2.gz VMFPRXUESIWFQW-UHFFFAOYSA-N 2 2 311.429 3.387 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC2CCCCCCC2)CC1 ZINC000725798364 575915751 /nfs/dbraw/zinc/91/57/51/575915751.db2.gz JPAXIHUAKXZNBP-UHFFFAOYSA-N 2 2 323.525 3.020 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC2CCCCCCC2)CC1 ZINC000725798364 575915752 /nfs/dbraw/zinc/91/57/52/575915752.db2.gz JPAXIHUAKXZNBP-UHFFFAOYSA-N 2 2 323.525 3.020 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccccc1-c1ccccc1)C[NH+]1CCOCC1 ZINC000738439890 576130245 /nfs/dbraw/zinc/13/02/45/576130245.db2.gz PYIGWYFATGIKIX-SFHVURJKSA-N 2 2 324.468 3.412 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000891561158 617834722 /nfs/dbraw/zinc/83/47/22/617834722.db2.gz JSDBBCKWABASOS-UHFFFAOYSA-N 2 2 306.498 3.385 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000891561158 617834730 /nfs/dbraw/zinc/83/47/30/617834730.db2.gz JSDBBCKWABASOS-UHFFFAOYSA-N 2 2 306.498 3.385 20 0 DGADLP Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000891681912 617867941 /nfs/dbraw/zinc/86/79/41/617867941.db2.gz BRMPMVXOEWLCER-UHFFFAOYSA-N 2 2 302.466 3.362 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000891842800 617909641 /nfs/dbraw/zinc/90/96/41/617909641.db2.gz SBZVIVAPFOBXME-UHFFFAOYSA-N 2 2 301.438 3.114 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105900 617963672 /nfs/dbraw/zinc/96/36/72/617963672.db2.gz QOVXNDMEOAXFNP-CRAIPNDOSA-N 2 2 318.509 3.240 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105900 617963675 /nfs/dbraw/zinc/96/36/75/617963675.db2.gz QOVXNDMEOAXFNP-CRAIPNDOSA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105900 617963677 /nfs/dbraw/zinc/96/36/77/617963677.db2.gz QOVXNDMEOAXFNP-CRAIPNDOSA-N 2 2 318.509 3.240 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)[C@H](C)C1 ZINC000892105900 617963680 /nfs/dbraw/zinc/96/36/80/617963680.db2.gz QOVXNDMEOAXFNP-CRAIPNDOSA-N 2 2 318.509 3.240 20 0 DGADLP c1nn(C2CCC2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892233998 617991463 /nfs/dbraw/zinc/99/14/63/617991463.db2.gz AHEFIBYJVVHSDB-QFBILLFUSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892233998 617991467 /nfs/dbraw/zinc/99/14/67/617991467.db2.gz AHEFIBYJVVHSDB-QFBILLFUSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000892233998 617991471 /nfs/dbraw/zinc/99/14/71/617991471.db2.gz AHEFIBYJVVHSDB-QFBILLFUSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000892233998 617991474 /nfs/dbraw/zinc/99/14/74/617991474.db2.gz AHEFIBYJVVHSDB-QFBILLFUSA-N 2 2 314.477 3.057 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235407 617991633 /nfs/dbraw/zinc/99/16/33/617991633.db2.gz MLUCPFTUNGHHDP-WMLDXEAASA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000892235407 617991637 /nfs/dbraw/zinc/99/16/37/617991637.db2.gz MLUCPFTUNGHHDP-WMLDXEAASA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000892235407 617991641 /nfs/dbraw/zinc/99/16/41/617991641.db2.gz MLUCPFTUNGHHDP-WMLDXEAASA-N 2 2 304.434 3.127 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000892235407 617991645 /nfs/dbraw/zinc/99/16/45/617991645.db2.gz MLUCPFTUNGHHDP-WMLDXEAASA-N 2 2 304.434 3.127 20 0 DGADLP FC(F)OC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926543318 618044086 /nfs/dbraw/zinc/04/40/86/618044086.db2.gz KQNOTSWZTVCPGK-NEXFUWMNSA-N 2 2 302.409 3.143 20 0 DGADLP FC(F)OC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926543318 618044089 /nfs/dbraw/zinc/04/40/89/618044089.db2.gz KQNOTSWZTVCPGK-NEXFUWMNSA-N 2 2 302.409 3.143 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000892737499 618151368 /nfs/dbraw/zinc/15/13/68/618151368.db2.gz DFFLUMVQLZEPIB-CQSZACIVSA-N 2 2 320.458 3.352 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000892737499 618151369 /nfs/dbraw/zinc/15/13/69/618151369.db2.gz DFFLUMVQLZEPIB-CQSZACIVSA-N 2 2 320.458 3.352 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000892737498 618151481 /nfs/dbraw/zinc/15/14/81/618151481.db2.gz DFFLUMVQLZEPIB-AWEZNQCLSA-N 2 2 320.458 3.352 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000892737498 618151483 /nfs/dbraw/zinc/15/14/83/618151483.db2.gz DFFLUMVQLZEPIB-AWEZNQCLSA-N 2 2 320.458 3.352 20 0 DGADLP CC(C)CC[NH+]1CCC(NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000924604505 618310129 /nfs/dbraw/zinc/31/01/29/618310129.db2.gz ULFQPYBCBNPCFZ-GOSISDBHSA-N 2 2 323.550 3.451 20 0 DGADLP Cc1ncoc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000894675824 618419828 /nfs/dbraw/zinc/41/98/28/618419828.db2.gz KSRRNKVSLLRUTD-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP Cc1ncoc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000894675824 618419832 /nfs/dbraw/zinc/41/98/32/618419832.db2.gz KSRRNKVSLLRUTD-SFHVURJKSA-N 2 2 313.445 3.373 20 0 DGADLP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccsc1 ZINC000925525467 618463852 /nfs/dbraw/zinc/46/38/52/618463852.db2.gz BFOZIWQARDKCGS-FGTMMUONSA-N 2 2 321.534 3.109 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925678108 618527417 /nfs/dbraw/zinc/52/74/17/618527417.db2.gz CCBOEVJLEZBQGK-GJZGRUSLSA-N 2 2 311.832 3.132 20 0 DGADLP CN(C)c1ccccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110865 618539556 /nfs/dbraw/zinc/53/95/56/618539556.db2.gz ASMKONNZTLJJTL-IYARVYRRSA-N 2 2 324.472 3.424 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cc3cccnc3o2)c2cccc[nH+]2)CC1 ZINC000895112136 618540503 /nfs/dbraw/zinc/54/05/03/618540503.db2.gz MIBYUEIOPIFSJY-WKILWMFISA-N 2 2 322.412 3.499 20 0 DGADLP Cc1nc(F)ccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112827 618541054 /nfs/dbraw/zinc/54/10/54/618541054.db2.gz SCCPPGXTECJHSB-WKILWMFISA-N 2 2 314.408 3.201 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCCSCC2)CC1 ZINC000895112576 618541188 /nfs/dbraw/zinc/54/11/88/618541188.db2.gz BRZQOIKRTJHPDT-JYJNAYRXSA-N 2 2 305.491 3.444 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cc3cnccc3o2)c2cccc[nH+]2)CC1 ZINC000895115295 618541599 /nfs/dbraw/zinc/54/15/99/618541599.db2.gz OJVWHMCVIACHHU-WKILWMFISA-N 2 2 322.412 3.499 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000895115586 618541755 /nfs/dbraw/zinc/54/17/55/618541755.db2.gz OBRKITQAAIWJQE-AEFFLSMTSA-N 2 2 314.429 3.113 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000895115586 618541757 /nfs/dbraw/zinc/54/17/57/618541757.db2.gz OBRKITQAAIWJQE-AEFFLSMTSA-N 2 2 314.429 3.113 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000925759787 618602090 /nfs/dbraw/zinc/60/20/90/618602090.db2.gz LRRFRARYZZAMNB-PKOBYXMFSA-N 3 2 315.505 3.100 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759787 618602091 /nfs/dbraw/zinc/60/20/91/618602091.db2.gz LRRFRARYZZAMNB-PKOBYXMFSA-N 3 2 315.505 3.100 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925776570 618616155 /nfs/dbraw/zinc/61/61/55/618616155.db2.gz MAVPBJUVMXHENA-NHYWBVRUSA-N 2 2 318.358 3.496 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795751 618621428 /nfs/dbraw/zinc/62/14/28/618621428.db2.gz PBQCHBUVIBTEQO-WBVHZDCISA-N 2 2 320.864 3.076 20 0 DGADLP COc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OC ZINC000893967045 618684342 /nfs/dbraw/zinc/68/43/42/618684342.db2.gz VQYKTZDSUWQORB-CQSZACIVSA-N 2 2 315.417 3.115 20 0 DGADLP COc1cc(C)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OC ZINC000893967045 618684344 /nfs/dbraw/zinc/68/43/44/618684344.db2.gz VQYKTZDSUWQORB-CQSZACIVSA-N 2 2 315.417 3.115 20 0 DGADLP c1ccc(NCCCC[NH2+]Cc2cccc3c2NCCC3)[nH+]c1 ZINC000894226862 618733888 /nfs/dbraw/zinc/73/38/88/618733888.db2.gz ULEWDTPYRAOURY-UHFFFAOYSA-N 2 2 310.445 3.422 20 0 DGADLP Cc1ncoc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000894328386 618765090 /nfs/dbraw/zinc/76/50/90/618765090.db2.gz YLUFHUIBVWBNAW-GJZGRUSLSA-N 2 2 313.445 3.229 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381289 618776607 /nfs/dbraw/zinc/77/66/07/618776607.db2.gz SIGYVPRAYOFAMK-BBRMVZONSA-N 2 2 317.433 3.086 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381289 618776610 /nfs/dbraw/zinc/77/66/10/618776610.db2.gz SIGYVPRAYOFAMK-BBRMVZONSA-N 2 2 317.433 3.086 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000895672652 618816193 /nfs/dbraw/zinc/81/61/93/618816193.db2.gz XJIJAOHXUKBIHP-UHFFFAOYSA-N 2 2 313.420 3.434 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000895828527 618835852 /nfs/dbraw/zinc/83/58/52/618835852.db2.gz WHQKRLVXKFRSIY-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc(C)c1O ZINC000896194815 618885227 /nfs/dbraw/zinc/88/52/27/618885227.db2.gz GBFALMSQSLVDTC-UHFFFAOYSA-N 2 2 311.429 3.481 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CS1 ZINC000896720963 618948375 /nfs/dbraw/zinc/94/83/75/618948375.db2.gz KIROQTPZSQQDKI-BBWFWOEESA-N 2 2 307.507 3.194 20 0 DGADLP C[C@H](CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1 ZINC000897227180 619032551 /nfs/dbraw/zinc/03/25/51/619032551.db2.gz BYPJAUMKPSGKTJ-APWZRJJASA-N 2 2 302.462 3.023 20 0 DGADLP C[C@H](CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1ccccc1 ZINC000897227180 619032554 /nfs/dbraw/zinc/03/25/54/619032554.db2.gz BYPJAUMKPSGKTJ-APWZRJJASA-N 2 2 302.462 3.023 20 0 DGADLP Oc1cncc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000897304372 619049790 /nfs/dbraw/zinc/04/97/90/619049790.db2.gz CWHFCYVFQXGUCL-XLIONFOSSA-N 2 2 323.440 3.245 20 0 DGADLP Oc1cncc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000897304372 619049792 /nfs/dbraw/zinc/04/97/92/619049792.db2.gz CWHFCYVFQXGUCL-XLIONFOSSA-N 2 2 323.440 3.245 20 0 DGADLP Clc1ccnc2c1CC[C@H]2[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925172545 619065836 /nfs/dbraw/zinc/06/58/36/619065836.db2.gz UBMJTZDSONDVNE-BXUZGUMPSA-N 2 2 302.809 3.086 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnn1CC1CCC1 ZINC000925231324 619087490 /nfs/dbraw/zinc/08/74/90/619087490.db2.gz HQFYSJQGRXQLPJ-HNNXBMFYSA-N 2 2 313.449 3.231 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925292759 619144809 /nfs/dbraw/zinc/14/48/09/619144809.db2.gz NQILRFUXDLVTRL-LULLPPNCSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925292759 619144810 /nfs/dbraw/zinc/14/48/10/619144810.db2.gz NQILRFUXDLVTRL-LULLPPNCSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@@H]1Cc2cc(C[NH+]3CCC([NH2+]C4CCC4)CC3)ccc2O1 ZINC000897978278 619202603 /nfs/dbraw/zinc/20/26/03/619202603.db2.gz NFICDRKSTSATEV-CQSZACIVSA-N 2 2 300.446 3.117 20 0 DGADLP Fc1cc2cccnc2c(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897982037 619202965 /nfs/dbraw/zinc/20/29/65/619202965.db2.gz VPWPCYIZOLAEAS-UHFFFAOYSA-N 2 2 313.420 3.480 20 0 DGADLP CC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000926957838 619252406 /nfs/dbraw/zinc/25/24/06/619252406.db2.gz KYOAGTVMHHPMNP-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1)C1CC1 ZINC000926957838 619252407 /nfs/dbraw/zinc/25/24/07/619252407.db2.gz KYOAGTVMHHPMNP-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959894 619252430 /nfs/dbraw/zinc/25/24/30/619252430.db2.gz TWZCIXSYHZJQSN-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959894 619252434 /nfs/dbraw/zinc/25/24/34/619252434.db2.gz TWZCIXSYHZJQSN-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[NH+](C)C ZINC000926963494 619253370 /nfs/dbraw/zinc/25/33/70/619253370.db2.gz UNXLCRJRSZJHPU-RTBURBONSA-N 2 2 319.493 3.259 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706594 619261545 /nfs/dbraw/zinc/26/15/45/619261545.db2.gz QEKBOHRTLBXVKA-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706594 619261547 /nfs/dbraw/zinc/26/15/47/619261547.db2.gz QEKBOHRTLBXVKA-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000924720728 619266091 /nfs/dbraw/zinc/26/60/91/619266091.db2.gz BITIMGCJSMLLEP-LLVKDONJSA-N 2 2 311.389 3.031 20 0 DGADLP [NH3+]C1(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000902407767 619628192 /nfs/dbraw/zinc/62/81/92/619628192.db2.gz UBZNUWFMJSCIGK-ZDUSSCGKSA-N 2 2 313.214 3.120 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000902407766 619628345 /nfs/dbraw/zinc/62/83/45/619628345.db2.gz UBZNUWFMJSCIGK-CYBMUJFWSA-N 2 2 313.214 3.120 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443121 619637248 /nfs/dbraw/zinc/63/72/48/619637248.db2.gz CUONEZWZTXAESO-RHSMWYFYSA-N 2 2 317.477 3.115 20 0 DGADLP COc1cccc(-c2cc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])on2)c1 ZINC000902455696 619640748 /nfs/dbraw/zinc/64/07/48/619640748.db2.gz YENFXZDZEKVAFH-SJORKVTESA-N 2 2 315.417 3.100 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[C@@H]2CCC[NH2+]2)cc1 ZINC000902458562 619640984 /nfs/dbraw/zinc/64/09/84/619640984.db2.gz WIBIUQGXWMUNFO-HZZCBIDNSA-N 2 2 300.446 3.267 20 0 DGADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902483581 619645518 /nfs/dbraw/zinc/64/55/18/619645518.db2.gz RVXWNUGXOWXBQZ-UHOSZYNNSA-N 2 2 302.462 3.276 20 0 DGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483057 619645657 /nfs/dbraw/zinc/64/56/57/619645657.db2.gz OZABAGFCOACORK-RDJZCZTQSA-N 2 2 317.477 3.088 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000902484966 619645882 /nfs/dbraw/zinc/64/58/82/619645882.db2.gz XPFKOQIZKNOSPB-YOEHRIQHSA-N 2 2 317.433 3.352 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747956 619669848 /nfs/dbraw/zinc/66/98/48/619669848.db2.gz JMIGHGNWKPMTQY-KFKAGJAMSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(-n2ccnc2)c1 ZINC000902747956 619669849 /nfs/dbraw/zinc/66/98/49/619669849.db2.gz JMIGHGNWKPMTQY-KFKAGJAMSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753485 619670222 /nfs/dbraw/zinc/67/02/22/619670222.db2.gz QENCXEUHRDDGLY-IACUBPJLSA-N 2 2 313.367 3.378 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753485 619670223 /nfs/dbraw/zinc/67/02/23/619670223.db2.gz QENCXEUHRDDGLY-IACUBPJLSA-N 2 2 313.367 3.378 20 0 DGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902795500 619677673 /nfs/dbraw/zinc/67/76/73/619677673.db2.gz CZIKLBWZBYFFGL-GBESFXJTSA-N 2 2 306.494 3.046 20 0 DGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902795500 619677676 /nfs/dbraw/zinc/67/76/76/619677676.db2.gz CZIKLBWZBYFFGL-GBESFXJTSA-N 2 2 306.494 3.046 20 0 DGADLP CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902800024 619678629 /nfs/dbraw/zinc/67/86/29/619678629.db2.gz JTJNSRNXYGDRAU-KBXCAEBGSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817808 619678849 /nfs/dbraw/zinc/67/88/49/619678849.db2.gz DECJAKMWHRKQBW-GVXVVHGQSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817808 619678851 /nfs/dbraw/zinc/67/88/51/619678851.db2.gz DECJAKMWHRKQBW-GVXVVHGQSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902873384 619685096 /nfs/dbraw/zinc/68/50/96/619685096.db2.gz ZNXZQCOJLOFLIP-GJZGRUSLSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902887791 619688476 /nfs/dbraw/zinc/68/84/76/619688476.db2.gz MRIUTFNDONQWBJ-HNNXBMFYSA-N 2 2 321.428 3.184 20 0 DGADLP C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902956471 619697141 /nfs/dbraw/zinc/69/71/41/619697141.db2.gz ISXNTKGDJJRGLG-PBHICJAKSA-N 2 2 311.385 3.240 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cn1 ZINC000902992780 619700617 /nfs/dbraw/zinc/70/06/17/619700617.db2.gz MPAXJBCEQVYTSZ-KOLCDFICSA-N 2 2 310.323 3.032 20 0 DGADLP CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038109 619705524 /nfs/dbraw/zinc/70/55/24/619705524.db2.gz HGFUMRCXVUVOSE-HDMKZQKVSA-N 2 2 301.434 3.320 20 0 DGADLP COc1ccc2c(c1Cl)[C@@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000903057984 619707204 /nfs/dbraw/zinc/70/72/04/619707204.db2.gz MNCZDQUOIREFSC-ZDUSSCGKSA-N 2 2 305.809 3.212 20 0 DGADLP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000903075164 619711840 /nfs/dbraw/zinc/71/18/40/619711840.db2.gz QUHHILONOZDALB-OAHLLOKOSA-N 2 2 315.417 3.077 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cn1 ZINC000903075540 619711987 /nfs/dbraw/zinc/71/19/87/619711987.db2.gz YRYUPCKHUPOINK-LJQANCHMSA-N 2 2 319.412 3.212 20 0 DGADLP CCCOc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903078252 619712398 /nfs/dbraw/zinc/71/23/98/619712398.db2.gz DRFABJCEYZDPJC-ZNXRZULTSA-N 2 2 315.461 3.118 20 0 DGADLP CCCOc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078252 619712401 /nfs/dbraw/zinc/71/24/01/619712401.db2.gz DRFABJCEYZDPJC-ZNXRZULTSA-N 2 2 315.461 3.118 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070033 619715179 /nfs/dbraw/zinc/71/51/79/619715179.db2.gz OCMOIMVFPJIPGL-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070033 619715180 /nfs/dbraw/zinc/71/51/80/619715180.db2.gz OCMOIMVFPJIPGL-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP c1cc2c(c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)n1)CCCC2 ZINC000903218303 619740707 /nfs/dbraw/zinc/74/07/07/619740707.db2.gz AGKVKLWEUIOMSD-ZNXRZULTSA-N 2 2 311.473 3.208 20 0 DGADLP c1cc2c(c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)n1)CCCC2 ZINC000903218303 619740709 /nfs/dbraw/zinc/74/07/09/619740709.db2.gz AGKVKLWEUIOMSD-ZNXRZULTSA-N 2 2 311.473 3.208 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243716 619743349 /nfs/dbraw/zinc/74/33/49/619743349.db2.gz IAYJQBGWMKAUCZ-YJBOKZPZSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243716 619743351 /nfs/dbraw/zinc/74/33/51/619743351.db2.gz IAYJQBGWMKAUCZ-YJBOKZPZSA-N 2 2 301.478 3.318 20 0 DGADLP COC1([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCCC1 ZINC000903376145 619767819 /nfs/dbraw/zinc/76/78/19/619767819.db2.gz ADAKKXFBHZVCNM-WBVHZDCISA-N 2 2 305.466 3.012 20 0 DGADLP CCO[C@@H]1CCC[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376967 619767862 /nfs/dbraw/zinc/76/78/62/619767862.db2.gz HYRBORXQIHEQBQ-RCCFBDPRSA-N 2 2 305.466 3.012 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1cccnc1 ZINC000903376593 619767923 /nfs/dbraw/zinc/76/79/23/619767923.db2.gz FWTKQOAHKGFLRA-OTWHNJEPSA-N 2 2 317.477 3.012 20 0 DGADLP COC1([C@@H](C)[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000903376988 619767960 /nfs/dbraw/zinc/76/79/60/619767960.db2.gz IDZLHZPBUBEOQL-SJLPKXTDSA-N 2 2 319.493 3.402 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cccnc1 ZINC000903379196 619768176 /nfs/dbraw/zinc/76/81/76/619768176.db2.gz VCVIXIJXZUGVNQ-BZSNNMDCSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381104 619768569 /nfs/dbraw/zinc/76/85/69/619768569.db2.gz QZYPBJZSDLIQIV-BEFAXECRSA-N 2 2 315.436 3.434 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@H]1CCCC[NH2+]C1 ZINC000903718437 619803094 /nfs/dbraw/zinc/80/30/94/619803094.db2.gz MMIACBSSDQUABM-KRWDZBQOSA-N 2 2 317.477 3.035 20 0 DGADLP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@H]1CCCC[NH2+]C1 ZINC000903718437 619803095 /nfs/dbraw/zinc/80/30/95/619803095.db2.gz MMIACBSSDQUABM-KRWDZBQOSA-N 2 2 317.477 3.035 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000903878866 619828026 /nfs/dbraw/zinc/82/80/26/619828026.db2.gz LYFWYXQWWUVYKV-HNNXBMFYSA-N 2 2 312.404 3.019 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000903909548 619833070 /nfs/dbraw/zinc/83/30/70/619833070.db2.gz FKTIVWDEHCKCNX-YJBOKZPZSA-N 2 2 308.416 3.339 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000903909548 619833074 /nfs/dbraw/zinc/83/30/74/619833074.db2.gz FKTIVWDEHCKCNX-YJBOKZPZSA-N 2 2 308.416 3.339 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903937165 619837930 /nfs/dbraw/zinc/83/79/30/619837930.db2.gz CUJCTWPPSHWOPJ-ZIAGYGMSSA-N 2 2 312.404 3.247 20 0 DGADLP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903937165 619837931 /nfs/dbraw/zinc/83/79/31/619837931.db2.gz CUJCTWPPSHWOPJ-ZIAGYGMSSA-N 2 2 312.404 3.247 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918041 619838764 /nfs/dbraw/zinc/83/87/64/619838764.db2.gz QSLZMNQUHKIZTF-OAQYLSRUSA-N 3 2 323.484 3.245 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2c3ccccc3NC2(C)C)s1 ZINC000903947600 619843774 /nfs/dbraw/zinc/84/37/74/619843774.db2.gz BUROUZATNRNNTJ-MRXNPFEDSA-N 2 2 316.474 3.240 20 0 DGADLP Cc1cc2cc(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)oc2cc1C ZINC000903955567 619846454 /nfs/dbraw/zinc/84/64/54/619846454.db2.gz VWDCYCWYMUGWGA-CQSZACIVSA-N 2 2 308.372 3.384 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)o1 ZINC000906526682 620102920 /nfs/dbraw/zinc/10/29/20/620102920.db2.gz JGGJCIIEGJRSLW-ROUUACIJSA-N 2 2 311.429 3.448 20 0 DGADLP c1ncc(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)o1 ZINC000906526682 620102922 /nfs/dbraw/zinc/10/29/22/620102922.db2.gz JGGJCIIEGJRSLW-ROUUACIJSA-N 2 2 311.429 3.448 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC000911764903 620345126 /nfs/dbraw/zinc/34/51/26/620345126.db2.gz PDFMGWZGWSFKLX-INIZCTEOSA-N 2 2 322.412 3.116 20 0 DGADLP c1nn(C2CCC2)cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000921502911 620875881 /nfs/dbraw/zinc/87/58/81/620875881.db2.gz PJQYBYKKXHNJKJ-UHFFFAOYSA-N 2 2 324.472 3.146 20 0 DGADLP c1nn(C2CCC2)cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000921502911 620875884 /nfs/dbraw/zinc/87/58/84/620875884.db2.gz PJQYBYKKXHNJKJ-UHFFFAOYSA-N 2 2 324.472 3.146 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000921526456 620898560 /nfs/dbraw/zinc/89/85/60/620898560.db2.gz DPSNOUNQYDFDFJ-CYBMUJFWSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000921526456 620898563 /nfs/dbraw/zinc/89/85/63/620898563.db2.gz DPSNOUNQYDFDFJ-CYBMUJFWSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1Br ZINC000921526693 620902346 /nfs/dbraw/zinc/90/23/46/620902346.db2.gz HJPSBWIPRNSGSN-LBPRGKRZSA-N 2 2 308.223 3.132 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921575752 620911409 /nfs/dbraw/zinc/91/14/09/620911409.db2.gz AMVMDXDLHBYKIH-QGZVFWFLSA-N 2 2 315.465 3.084 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921689993 620934800 /nfs/dbraw/zinc/93/48/00/620934800.db2.gz XGCCLKJJRZUZGG-LBPRGKRZSA-N 2 2 310.873 3.151 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921689993 620934801 /nfs/dbraw/zinc/93/48/01/620934801.db2.gz XGCCLKJJRZUZGG-LBPRGKRZSA-N 2 2 310.873 3.151 20 0 DGADLP c1cn(-c2csc(C[NH2+]C3([C@H]4CCCCO4)CC3)c2)c[nH+]1 ZINC000923030768 621149296 /nfs/dbraw/zinc/14/92/96/621149296.db2.gz RTLFJNOQXNPNJL-OAHLLOKOSA-N 2 2 303.431 3.125 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000858148605 621158705 /nfs/dbraw/zinc/15/87/05/621158705.db2.gz DNHZTZVEQNYACJ-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000858148605 621158708 /nfs/dbraw/zinc/15/87/08/621158708.db2.gz DNHZTZVEQNYACJ-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP CCC(F)(F)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858258596 621169490 /nfs/dbraw/zinc/16/94/90/621169490.db2.gz KVZJWNNGCODGLQ-UHFFFAOYSA-N 2 2 311.420 3.356 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000839193074 621347326 /nfs/dbraw/zinc/34/73/26/621347326.db2.gz YHCNRCAGJZCFRF-UIAACRFSSA-N 2 2 313.489 3.500 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1coc(-c2ccccc2F)n1 ZINC000863540554 621682017 /nfs/dbraw/zinc/68/20/17/621682017.db2.gz BUDZFTFCHSCZHD-LQDVMPOASA-N 2 2 315.392 3.325 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccccc2F)n1 ZINC000863540554 621682018 /nfs/dbraw/zinc/68/20/18/621682018.db2.gz BUDZFTFCHSCZHD-LQDVMPOASA-N 2 2 315.392 3.325 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCCCc1ccccc1 ZINC000863543112 621682415 /nfs/dbraw/zinc/68/24/15/621682415.db2.gz WAIKWTBNBKDMOD-MJGOQNOKSA-N 2 2 304.478 3.146 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000863544713 621682515 /nfs/dbraw/zinc/68/25/15/621682515.db2.gz BYTBTOQSCIWULN-KKZNHRDASA-N 2 2 302.249 3.367 20 0 DGADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC000863570447 621684373 /nfs/dbraw/zinc/68/43/73/621684373.db2.gz HJVVEZSUGLQHDO-MSOLQXFVSA-N 2 2 322.880 3.370 20 0 DGADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC000863570447 621684376 /nfs/dbraw/zinc/68/43/76/621684376.db2.gz HJVVEZSUGLQHDO-MSOLQXFVSA-N 2 2 322.880 3.370 20 0 DGADLP c1ccc(CNc2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)cc1 ZINC000865424892 621917465 /nfs/dbraw/zinc/91/74/65/621917465.db2.gz GELHFQHUXYGBKV-UHFFFAOYSA-N 2 2 323.444 3.127 20 0 DGADLP CC(C)(C)c1csc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000865597442 621959264 /nfs/dbraw/zinc/95/92/64/621959264.db2.gz AFIVLIKHVPZOOK-UHFFFAOYSA-N 2 2 300.431 3.378 20 0 DGADLP CCc1nn(C)c(Cl)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120905558 622046824 /nfs/dbraw/zinc/04/68/24/622046824.db2.gz BQRBLDVCAKMZAK-UHFFFAOYSA-N 2 2 312.889 3.035 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000866225108 622069974 /nfs/dbraw/zinc/06/99/74/622069974.db2.gz OIHYGWOXTIVSRP-QGZVFWFLSA-N 2 2 320.440 3.437 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000866271639 622081549 /nfs/dbraw/zinc/08/15/49/622081549.db2.gz CGQQFVIJBIGNQG-QGZVFWFLSA-N 2 2 323.484 3.092 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000866277178 622083397 /nfs/dbraw/zinc/08/33/97/622083397.db2.gz JYIMYHQWYAJHAH-IAGOWNOFSA-N 2 2 311.473 3.487 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000866277178 622083398 /nfs/dbraw/zinc/08/33/98/622083398.db2.gz JYIMYHQWYAJHAH-IAGOWNOFSA-N 2 2 311.473 3.487 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000866395812 622110512 /nfs/dbraw/zinc/11/05/12/622110512.db2.gz GGGWXMQRIZPZAP-APWZRJJASA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000866395812 622110515 /nfs/dbraw/zinc/11/05/15/622110515.db2.gz GGGWXMQRIZPZAP-APWZRJJASA-N 2 2 301.478 3.399 20 0 DGADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000764975555 622237200 /nfs/dbraw/zinc/23/72/00/622237200.db2.gz QGZBQUKJEDCLGS-GOSISDBHSA-N 2 2 306.413 3.197 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000765249298 622254036 /nfs/dbraw/zinc/25/40/36/622254036.db2.gz GIZOVSLBFCMQTC-FUHWJXTLSA-N 2 2 312.461 3.166 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn(C(C)C)nc32)[C@H](C)C1 ZINC000765813211 622289330 /nfs/dbraw/zinc/28/93/30/622289330.db2.gz BQIZBJOXTBBWRB-PVAVHDDUSA-N 2 2 304.482 3.161 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn(C(C)C)nc32)[C@H](C)C1 ZINC000765813211 622289334 /nfs/dbraw/zinc/28/93/34/622289334.db2.gz BQIZBJOXTBBWRB-PVAVHDDUSA-N 2 2 304.482 3.161 20 0 DGADLP CCc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000765994854 622299006 /nfs/dbraw/zinc/29/90/06/622299006.db2.gz SDINHSIGNHTZFO-CYBMUJFWSA-N 2 2 309.417 3.317 20 0 DGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275676 622316653 /nfs/dbraw/zinc/31/66/53/622316653.db2.gz YLMBKKXRLQRFKI-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275676 622316656 /nfs/dbraw/zinc/31/66/56/622316656.db2.gz YLMBKKXRLQRFKI-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000122980186 622439038 /nfs/dbraw/zinc/43/90/38/622439038.db2.gz YHXCUCOMVZCCRD-JKSUJKDBSA-N 2 2 320.477 3.099 20 0 DGADLP FC(F)C1CC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000768691301 622471732 /nfs/dbraw/zinc/47/17/32/622471732.db2.gz RPLQBCTVHMTETQ-UHFFFAOYSA-N 2 2 318.477 3.371 20 0 DGADLP CCc1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000769119341 622499937 /nfs/dbraw/zinc/49/99/37/622499937.db2.gz AFZJJJYWLMGNGC-UHFFFAOYSA-N 2 2 303.475 3.399 20 0 DGADLP CCc1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000769119341 622499940 /nfs/dbraw/zinc/49/99/40/622499940.db2.gz AFZJJJYWLMGNGC-UHFFFAOYSA-N 2 2 303.475 3.399 20 0 DGADLP COc1cccc2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)oc21 ZINC000769314235 622516790 /nfs/dbraw/zinc/51/67/90/622516790.db2.gz WQODXDKZIFGATO-HNNXBMFYSA-N 2 2 311.385 3.475 20 0 DGADLP COc1cccc2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)oc21 ZINC000769314235 622516792 /nfs/dbraw/zinc/51/67/92/622516792.db2.gz WQODXDKZIFGATO-HNNXBMFYSA-N 2 2 311.385 3.475 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000872132230 622825175 /nfs/dbraw/zinc/82/51/75/622825175.db2.gz CZQUMPLAFUXYAV-ZVZYQTTQSA-N 2 2 316.493 3.479 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2c1 ZINC000872149202 622834051 /nfs/dbraw/zinc/83/40/51/622834051.db2.gz MQEVXPOJIRZWLX-HUUCEWRRSA-N 2 2 323.362 3.112 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2c1 ZINC000872149202 622834058 /nfs/dbraw/zinc/83/40/58/622834058.db2.gz MQEVXPOJIRZWLX-HUUCEWRRSA-N 2 2 323.362 3.112 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(F)n2)CC1 ZINC000773088220 622981994 /nfs/dbraw/zinc/98/19/94/622981994.db2.gz OKIYFWYTMAXVPQ-RHSMWYFYSA-N 2 2 305.441 3.353 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000873223137 623080066 /nfs/dbraw/zinc/08/00/66/623080066.db2.gz IFSMTBFJCGMRAX-IBGZPJMESA-N 2 2 312.461 3.274 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000873223137 623080072 /nfs/dbraw/zinc/08/00/72/623080072.db2.gz IFSMTBFJCGMRAX-IBGZPJMESA-N 2 2 312.461 3.274 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000873224004 623081778 /nfs/dbraw/zinc/08/17/78/623081778.db2.gz WIUVBDQDJFQTQY-MRXNPFEDSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000873224004 623081785 /nfs/dbraw/zinc/08/17/85/623081785.db2.gz WIUVBDQDJFQTQY-MRXNPFEDSA-N 2 2 300.368 3.301 20 0 DGADLP c1cc(COc2ccc(C[NH2+][C@@]34CCC[C@H]3[NH2+]CC4)cc2)ccn1 ZINC000873229619 623083277 /nfs/dbraw/zinc/08/32/77/623083277.db2.gz CRDWGJKPNHFQTB-WOJBJXKFSA-N 2 2 323.440 3.035 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@@]34CCC[C@H]3[NH2+]CC4)c2)nc1 ZINC000873230239 623083815 /nfs/dbraw/zinc/08/38/15/623083815.db2.gz NXPXBFQDOBSQEO-WOJBJXKFSA-N 2 2 323.440 3.035 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000873236055 623086606 /nfs/dbraw/zinc/08/66/06/623086606.db2.gz WURHLUGYPAXRMB-CJNGLKHVSA-N 2 2 315.461 3.000 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000775371112 623261492 /nfs/dbraw/zinc/26/14/92/623261492.db2.gz UBGXJLKHUMLBCJ-QCODTGAPSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000775371112 623261496 /nfs/dbraw/zinc/26/14/96/623261496.db2.gz UBGXJLKHUMLBCJ-QCODTGAPSA-N 2 2 314.564 3.076 20 0 DGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccon2)ccc1OC ZINC000775393135 623265576 /nfs/dbraw/zinc/26/55/76/623265576.db2.gz DLXXCPKCTJFJCI-CQSZACIVSA-N 2 2 317.433 3.376 20 0 DGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440281 623275300 /nfs/dbraw/zinc/27/53/00/623275300.db2.gz KUPUYZSQRFSXNL-PXNSSMCTSA-N 2 2 316.489 3.476 20 0 DGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440281 623275303 /nfs/dbraw/zinc/27/53/03/623275303.db2.gz KUPUYZSQRFSXNL-PXNSSMCTSA-N 2 2 316.489 3.476 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000876576581 623649438 /nfs/dbraw/zinc/64/94/38/623649438.db2.gz MAADBMDVGKYFQD-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP Fc1cccc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000876619731 623661304 /nfs/dbraw/zinc/66/13/04/623661304.db2.gz DHEMBUUHEZPSQG-OAHLLOKOSA-N 2 2 310.376 3.477 20 0 DGADLP Fc1cccc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cnc12 ZINC000876619731 623661307 /nfs/dbraw/zinc/66/13/07/623661307.db2.gz DHEMBUUHEZPSQG-OAHLLOKOSA-N 2 2 310.376 3.477 20 0 DGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876625471 623663177 /nfs/dbraw/zinc/66/31/77/623663177.db2.gz WJRFYXLVZWQCOJ-UHFFFAOYSA-N 2 2 301.887 3.349 20 0 DGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876625471 623663178 /nfs/dbraw/zinc/66/31/78/623663178.db2.gz WJRFYXLVZWQCOJ-UHFFFAOYSA-N 2 2 301.887 3.349 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)c2)[nH+]c1C ZINC000876735611 623692378 /nfs/dbraw/zinc/69/23/78/623692378.db2.gz GSSBRNISDDMTDU-HUUCEWRRSA-N 2 2 312.417 3.005 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CC3 ZINC000779070613 623727829 /nfs/dbraw/zinc/72/78/29/623727829.db2.gz BVFJOBVQQUDMRB-CVEARBPZSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CC3 ZINC000779070613 623727834 /nfs/dbraw/zinc/72/78/34/623727834.db2.gz BVFJOBVQQUDMRB-CVEARBPZSA-N 2 2 311.473 3.408 20 0 DGADLP CSC(C)(C)CC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000876944532 623751319 /nfs/dbraw/zinc/75/13/19/623751319.db2.gz NVZHQJMTHSHEDC-UHFFFAOYSA-N 2 2 322.518 3.140 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000877024443 623768270 /nfs/dbraw/zinc/76/82/70/623768270.db2.gz DWUPTDZPVLRDID-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000877024443 623768273 /nfs/dbraw/zinc/76/82/73/623768273.db2.gz DWUPTDZPVLRDID-APWZRJJASA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(Cl)nn1 ZINC000877419524 623875418 /nfs/dbraw/zinc/87/54/18/623875418.db2.gz CUZDDLKPVVSILQ-UHFFFAOYSA-N 2 2 310.873 3.264 20 0 DGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CC1CCSCC1 ZINC000877587520 623952207 /nfs/dbraw/zinc/95/22/07/623952207.db2.gz DYEXWHNTMNDCNU-UHFFFAOYSA-N 2 2 324.490 3.191 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cc2s1 ZINC000877742400 624015519 /nfs/dbraw/zinc/01/55/19/624015519.db2.gz PBFJHDMZWWNZDA-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cc2s1 ZINC000877742400 624015523 /nfs/dbraw/zinc/01/55/23/624015523.db2.gz PBFJHDMZWWNZDA-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)cc2s1 ZINC000877742400 624015527 /nfs/dbraw/zinc/01/55/27/624015527.db2.gz PBFJHDMZWWNZDA-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)cc2s1 ZINC000877742400 624015530 /nfs/dbraw/zinc/01/55/30/624015530.db2.gz PBFJHDMZWWNZDA-GOEBONIOSA-N 2 2 301.459 3.131 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782769497 624281846 /nfs/dbraw/zinc/28/18/46/624281846.db2.gz WMFZLRBEXCEMHV-APWZRJJASA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782769497 624281848 /nfs/dbraw/zinc/28/18/48/624281848.db2.gz WMFZLRBEXCEMHV-APWZRJJASA-N 2 2 302.462 3.228 20 0 DGADLP CCOCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000783445430 624352473 /nfs/dbraw/zinc/35/24/73/624352473.db2.gz UHASIALFURABBU-UHFFFAOYSA-N 2 2 315.417 3.093 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963704 624738678 /nfs/dbraw/zinc/73/86/78/624738678.db2.gz NFCQBTUCYKSKPH-QGZVFWFLSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963704 624738683 /nfs/dbraw/zinc/73/86/83/624738683.db2.gz NFCQBTUCYKSKPH-QGZVFWFLSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1nccnc1C ZINC000880108843 624791884 /nfs/dbraw/zinc/79/18/84/624791884.db2.gz KDPXCASSEHNQJM-HNNXBMFYSA-N 2 2 307.401 3.130 20 0 DGADLP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202761 624838441 /nfs/dbraw/zinc/83/84/41/624838441.db2.gz SHJBOTJMFFRMGS-GOEBONIOSA-N 2 2 316.436 3.045 20 0 DGADLP FC1(F)CCC[C@H]1CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880202761 624838445 /nfs/dbraw/zinc/83/84/45/624838445.db2.gz SHJBOTJMFFRMGS-GOEBONIOSA-N 2 2 316.436 3.045 20 0 DGADLP ClC1(Cl)C[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568280 624979507 /nfs/dbraw/zinc/97/95/07/624979507.db2.gz WAIDFPGKFICDBR-KBPBESRZSA-N 2 2 310.228 3.408 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)c2ccccc2)c[nH+]1 ZINC000880570041 624979864 /nfs/dbraw/zinc/97/98/64/624979864.db2.gz SNFQFOLWTRGWGB-HXUWFJFHSA-N 2 2 319.408 3.444 20 0 DGADLP O[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC1CCCC1 ZINC000880569837 624980193 /nfs/dbraw/zinc/98/01/93/624980193.db2.gz QGTFWPSPDYPYIP-RTBURBONSA-N 2 2 313.445 3.155 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000791137652 625754796 /nfs/dbraw/zinc/75/47/96/625754796.db2.gz SMROXZSOHQQFMU-CGTJXYLNSA-N 3 2 312.461 3.396 20 0 DGADLP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796288585 626035760 /nfs/dbraw/zinc/03/57/60/626035760.db2.gz HTRSXKZTTLIVFU-MRXNPFEDSA-N 2 2 301.459 3.290 20 0 DGADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccccc1 ZINC000796362868 626042815 /nfs/dbraw/zinc/04/28/15/626042815.db2.gz MICOIIQFWYZBCT-FQEVSTJZSA-N 2 2 321.424 3.119 20 0 DGADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccccc1 ZINC000796362868 626042819 /nfs/dbraw/zinc/04/28/19/626042819.db2.gz MICOIIQFWYZBCT-FQEVSTJZSA-N 2 2 321.424 3.119 20 0 DGADLP CC1(C)CC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)OC1 ZINC000883243177 626621444 /nfs/dbraw/zinc/62/14/44/626621444.db2.gz CYJDQYWAYIEJCN-CQSZACIVSA-N 2 2 305.447 3.229 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000883387753 626669507 /nfs/dbraw/zinc/66/95/07/626669507.db2.gz DTYFMEDBVYQMOF-CRAIPNDOSA-N 2 2 322.412 3.379 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n(C)n1 ZINC000883388000 626669669 /nfs/dbraw/zinc/66/96/69/626669669.db2.gz KDAIQZPEERKGHC-RDJZCZTQSA-N 2 2 309.417 3.017 20 0 DGADLP c1cn(C[C@H]([NH2+][C@H]2CCCSCC2)c2ccccc2)c[nH+]1 ZINC000883388034 626669769 /nfs/dbraw/zinc/66/97/69/626669769.db2.gz KSJLKCTZSAVBGI-IRXDYDNUSA-N 2 2 301.459 3.500 20 0 DGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCOC1 ZINC000883389412 626670286 /nfs/dbraw/zinc/67/02/86/626670286.db2.gz PXWNVGZXSDJGKZ-FHWLQOOXSA-N 2 2 313.445 3.419 20 0 DGADLP Clc1cccc2c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c12 ZINC000804397044 626676106 /nfs/dbraw/zinc/67/61/06/626676106.db2.gz RYOCCKFDXPRXEI-STQMWFEESA-N 2 2 317.820 3.163 20 0 DGADLP Clc1cccc2c(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c12 ZINC000804397044 626676110 /nfs/dbraw/zinc/67/61/10/626676110.db2.gz RYOCCKFDXPRXEI-STQMWFEESA-N 2 2 317.820 3.163 20 0 DGADLP CC[N@H+](C)[C@@H](C(=O)OCCC[NH+]1CCCCC1)c1ccccc1 ZINC000800174199 626818838 /nfs/dbraw/zinc/81/88/38/626818838.db2.gz OTASAXVBWTYFPA-GOSISDBHSA-N 2 2 318.461 3.099 20 0 DGADLP CC[N@@H+](C)[C@@H](C(=O)OCCC[NH+]1CCCCC1)c1ccccc1 ZINC000800174199 626818843 /nfs/dbraw/zinc/81/88/43/626818843.db2.gz OTASAXVBWTYFPA-GOSISDBHSA-N 2 2 318.461 3.099 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000808442997 626824967 /nfs/dbraw/zinc/82/49/67/626824967.db2.gz QRIZTMRHGGWWNS-HNAYVOBHSA-N 2 2 307.397 3.084 20 0 DGADLP FC(F)COc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000885910616 627058952 /nfs/dbraw/zinc/05/89/52/627058952.db2.gz KPFMQKVVGQKNLL-UHFFFAOYSA-N 2 2 310.388 3.047 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(F)c1OC ZINC000885926592 627061799 /nfs/dbraw/zinc/06/17/99/627061799.db2.gz GJKCJQYMRVKMNO-CQSZACIVSA-N 2 2 324.440 3.055 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000886104726 627105653 /nfs/dbraw/zinc/10/56/53/627105653.db2.gz JBNDKRUCLAFXIX-JVPBZIDWSA-N 2 2 311.429 3.481 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000886315558 627135710 /nfs/dbraw/zinc/13/57/10/627135710.db2.gz RXPXDQSKKCKLLR-WDSOQIARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000886315558 627135712 /nfs/dbraw/zinc/13/57/12/627135712.db2.gz RXPXDQSKKCKLLR-WDSOQIARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000886315558 627135713 /nfs/dbraw/zinc/13/57/13/627135713.db2.gz RXPXDQSKKCKLLR-WDSOQIARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000886315558 627135715 /nfs/dbraw/zinc/13/57/15/627135715.db2.gz RXPXDQSKKCKLLR-WDSOQIARSA-N 2 2 302.462 3.008 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ccccc1 ZINC000886534204 627158301 /nfs/dbraw/zinc/15/83/01/627158301.db2.gz DBKGQWOFJGRZGD-MSOLQXFVSA-N 2 2 318.424 3.376 20 0 DGADLP Cc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)sc1C ZINC000886661108 627183065 /nfs/dbraw/zinc/18/30/65/627183065.db2.gz MVPLHRLQBYCAPY-UHFFFAOYSA-N 2 2 304.463 3.479 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886663194 627183673 /nfs/dbraw/zinc/18/36/73/627183673.db2.gz VQEMIZUPOPFPPZ-OAHLLOKOSA-N 2 2 321.465 3.326 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476592 627278706 /nfs/dbraw/zinc/27/87/06/627278706.db2.gz NMLKXWQZCUUTSC-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476592 627278712 /nfs/dbraw/zinc/27/87/12/627278712.db2.gz NMLKXWQZCUUTSC-NSHDSACASA-N 2 2 302.249 3.210 20 0 DGADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000815069331 627622070 /nfs/dbraw/zinc/62/20/70/627622070.db2.gz FAWSUGFFLIKHIU-APWZRJJASA-N 2 2 321.424 3.476 20 0 DGADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000815069331 627622074 /nfs/dbraw/zinc/62/20/74/627622074.db2.gz FAWSUGFFLIKHIU-APWZRJJASA-N 2 2 321.424 3.476 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000815117866 627629318 /nfs/dbraw/zinc/62/93/18/627629318.db2.gz WECWEWQFVKMEHF-FGTMMUONSA-N 2 2 324.509 3.353 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559093 627649576 /nfs/dbraw/zinc/64/95/76/627649576.db2.gz HXHKGIQXWOEBPP-SFTDATJTSA-N 2 2 323.484 3.309 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559093 627649578 /nfs/dbraw/zinc/64/95/78/627649578.db2.gz HXHKGIQXWOEBPP-SFTDATJTSA-N 2 2 323.484 3.309 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000924580189 627651657 /nfs/dbraw/zinc/65/16/57/627651657.db2.gz PRZMIEKYQBPEMC-MRXNPFEDSA-N 2 2 313.445 3.263 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000924580189 627651659 /nfs/dbraw/zinc/65/16/59/627651659.db2.gz PRZMIEKYQBPEMC-MRXNPFEDSA-N 2 2 313.445 3.263 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nonc1C ZINC000924583781 627652612 /nfs/dbraw/zinc/65/26/12/627652612.db2.gz CTZRYEOLJYXOCW-ZDUSSCGKSA-N 2 2 302.422 3.071 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2nonc2C)cc1 ZINC000924587085 627653100 /nfs/dbraw/zinc/65/31/00/627653100.db2.gz ZLFQXPXVYNCSNH-CYBMUJFWSA-N 2 2 302.422 3.071 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591819 627653854 /nfs/dbraw/zinc/65/38/54/627653854.db2.gz KZQLBOIQGYWYAL-INIZCTEOSA-N 2 2 305.853 3.329 20 0 DGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000924600488 627655717 /nfs/dbraw/zinc/65/57/17/627655717.db2.gz NKWLGDJJBLENRB-HNNXBMFYSA-N 2 2 305.466 3.395 20 0 DGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000924600488 627655721 /nfs/dbraw/zinc/65/57/21/627655721.db2.gz NKWLGDJJBLENRB-HNNXBMFYSA-N 2 2 305.466 3.395 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924603310 627655833 /nfs/dbraw/zinc/65/58/33/627655833.db2.gz REMDWXYEYBXXMK-CQSZACIVSA-N 2 2 313.445 3.390 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924603310 627655835 /nfs/dbraw/zinc/65/58/35/627655835.db2.gz REMDWXYEYBXXMK-CQSZACIVSA-N 2 2 313.445 3.390 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)c1 ZINC000924605592 627656599 /nfs/dbraw/zinc/65/65/99/627656599.db2.gz WRWVMINLSYJZAN-VQTJNVASSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)c1 ZINC000924605592 627656601 /nfs/dbraw/zinc/65/66/01/627656601.db2.gz WRWVMINLSYJZAN-VQTJNVASSA-N 2 2 324.472 3.038 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCOC34CCCCC4)cc2)c[nH+]1 ZINC000924806237 627682001 /nfs/dbraw/zinc/68/20/01/627682001.db2.gz AUBSGTCJARUEPB-SFHVURJKSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(Br)CC1 ZINC000924809215 627682191 /nfs/dbraw/zinc/68/21/91/627682191.db2.gz ZHWMZPQTPJURBW-LBPRGKRZSA-N 2 2 320.234 3.278 20 0 DGADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808851 627682471 /nfs/dbraw/zinc/68/24/71/627682471.db2.gz WVYIFBJYGKOPJD-WMZOPIPTSA-N 2 2 301.434 3.292 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924891577 627691064 /nfs/dbraw/zinc/69/10/64/627691064.db2.gz XDTXOCDDRNGISG-WOJBJXKFSA-N 2 2 324.472 3.021 20 0 DGADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924891577 627691067 /nfs/dbraw/zinc/69/10/67/627691067.db2.gz XDTXOCDDRNGISG-WOJBJXKFSA-N 2 2 324.472 3.021 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)[nH+]c1 ZINC000924927278 627694385 /nfs/dbraw/zinc/69/43/85/627694385.db2.gz OROSGSIGOHEJDY-FUHWJXTLSA-N 2 2 303.450 3.069 20 0 DGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)[N@H+](C)C1CC1 ZINC000924968505 627698872 /nfs/dbraw/zinc/69/88/72/627698872.db2.gz ZMSLWCQNHCNPMC-PXNSSMCTSA-N 2 2 323.484 3.308 20 0 DGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1)[N@@H+](C)C1CC1 ZINC000924968505 627698875 /nfs/dbraw/zinc/69/88/75/627698875.db2.gz ZMSLWCQNHCNPMC-PXNSSMCTSA-N 2 2 323.484 3.308 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1Cc1ccccc1 ZINC000925172064 627715706 /nfs/dbraw/zinc/71/57/06/627715706.db2.gz QZMVEYGYGAVVOS-QRQLOZEOSA-N 2 2 324.472 3.013 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)[nH+]c1 ZINC000925477047 627740408 /nfs/dbraw/zinc/74/04/08/627740408.db2.gz KVWAIJPPPNPRIY-MSOLQXFVSA-N 3 2 316.493 3.032 20 0 DGADLP COc1cccc(O[C@H](C)C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925513037 627745105 /nfs/dbraw/zinc/74/51/05/627745105.db2.gz HCSUHONRGXWLGO-CLCXKQKWSA-N 2 2 314.429 3.141 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)C12CCC2 ZINC000925564909 627755339 /nfs/dbraw/zinc/75/53/39/627755339.db2.gz MUZMQSWDJCEVDR-OLZOCXBDSA-N 2 2 307.850 3.309 20 0 DGADLP FC(F)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925591867 627759770 /nfs/dbraw/zinc/75/97/70/627759770.db2.gz UBOBLVYTZJXTQH-OAHLLOKOSA-N 2 2 310.388 3.095 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)c(C)c1 ZINC000925592483 627760049 /nfs/dbraw/zinc/76/00/49/627760049.db2.gz IISVUVJKMWRKTJ-KCITZHQASA-N 2 2 313.445 3.254 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccnnc2)c(C)c1 ZINC000925591683 627760096 /nfs/dbraw/zinc/76/00/96/627760096.db2.gz COFGPINBOLXDJG-QFBILLFUSA-N 2 2 321.428 3.382 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)c(C)c1 ZINC000925592485 627760189 /nfs/dbraw/zinc/76/01/89/627760189.db2.gz IISVUVJKMWRKTJ-OGWHTMIXSA-N 2 2 313.445 3.254 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccco1 ZINC000925615662 627763044 /nfs/dbraw/zinc/76/30/44/627763044.db2.gz HJIFQQRMIAWKIC-MXSMSXNCSA-N 2 2 319.493 3.029 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925638817 627766959 /nfs/dbraw/zinc/76/69/59/627766959.db2.gz HCGWHBLEEVZTCN-RBUKOAKNSA-N 2 2 310.441 3.117 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000925647707 627769570 /nfs/dbraw/zinc/76/95/70/627769570.db2.gz FXDIWMQKCHYUBQ-VQTJNVASSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000925647707 627769576 /nfs/dbraw/zinc/76/95/76/627769576.db2.gz FXDIWMQKCHYUBQ-VQTJNVASSA-N 2 2 324.472 3.194 20 0 DGADLP FC(F)(F)c1ccc(C2([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925702118 627779088 /nfs/dbraw/zinc/77/90/88/627779088.db2.gz LPDFXWGFMRSSBQ-GRIRQICOSA-N 2 2 322.374 3.281 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])OC)c1 ZINC000925720924 627781033 /nfs/dbraw/zinc/78/10/33/627781033.db2.gz KGEXUVZVBODGDK-ZOCIIQOWSA-N 2 2 314.429 3.061 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925723305 627781949 /nfs/dbraw/zinc/78/19/49/627781949.db2.gz URNQZRXKBITFIS-APWZRJJASA-N 3 2 303.494 3.175 20 0 DGADLP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925727199 627782953 /nfs/dbraw/zinc/78/29/53/627782953.db2.gz CJFVVJUJLBOLAS-ZACQAIPSSA-N 2 2 320.864 3.434 20 0 DGADLP Fc1ccc2c(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)noc2c1 ZINC000925729385 627783330 /nfs/dbraw/zinc/78/33/30/627783330.db2.gz PLODFZHZLUEZOQ-JKSUJKDBSA-N 2 2 317.408 3.225 20 0 DGADLP Fc1ccc2onc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)c2c1 ZINC000925734733 627784255 /nfs/dbraw/zinc/78/42/55/627784255.db2.gz RDHWQMHIPZYKQX-CVEARBPZSA-N 2 2 317.408 3.225 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2sccc21 ZINC000925794912 627796385 /nfs/dbraw/zinc/79/63/85/627796385.db2.gz WFVBIEZNJYAWCN-YCPHGPKFSA-N 2 2 320.502 3.435 20 0 DGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925791863 627796565 /nfs/dbraw/zinc/79/65/65/627796565.db2.gz COXKZBYIODIHOF-HOCLYGCPSA-N 2 2 320.502 3.218 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925799453 627797023 /nfs/dbraw/zinc/79/70/23/627797023.db2.gz YVQHZOAOLZQHIY-ROUUACIJSA-N 2 2 302.462 3.276 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000925819894 627799566 /nfs/dbraw/zinc/79/95/66/627799566.db2.gz ARPVSBUPZHZHAQ-IHJVYAAUSA-N 3 2 315.505 3.462 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cnc2ccccc2c1)c1ccccc1 ZINC000925834460 627802594 /nfs/dbraw/zinc/80/25/94/627802594.db2.gz XHTUFWOIBWFLGJ-QRWLVFNGSA-N 2 2 305.425 3.455 20 0 DGADLP OCC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926427391 627893177 /nfs/dbraw/zinc/89/31/77/627893177.db2.gz ZHPLRLDFVZEKCO-BZSNNMDCSA-N 2 2 322.880 3.370 20 0 DGADLP OCC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926427391 627893180 /nfs/dbraw/zinc/89/31/80/627893180.db2.gz ZHPLRLDFVZEKCO-BZSNNMDCSA-N 2 2 322.880 3.370 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccncc1Cl ZINC000817577198 627923393 /nfs/dbraw/zinc/92/33/93/627923393.db2.gz FYIAPLCODOUKKI-HIFRSBDPSA-N 2 2 323.868 3.029 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000926762041 627948933 /nfs/dbraw/zinc/94/89/33/627948933.db2.gz KUJQSUDQLRFCQM-PWIZWCRZSA-N 2 2 313.489 3.399 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)nc1 ZINC000926762041 627948936 /nfs/dbraw/zinc/94/89/36/627948936.db2.gz KUJQSUDQLRFCQM-PWIZWCRZSA-N 2 2 313.489 3.399 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000817893288 627954645 /nfs/dbraw/zinc/95/46/45/627954645.db2.gz FUDBSBWLYNDKKK-WKPIXPDZSA-N 2 2 317.260 3.147 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926789836 627954862 /nfs/dbraw/zinc/95/48/62/627954862.db2.gz KSBMCJDQYKRMML-HAGHYFMRSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926789836 627954865 /nfs/dbraw/zinc/95/48/65/627954865.db2.gz KSBMCJDQYKRMML-HAGHYFMRSA-N 2 2 314.473 3.371 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](SC)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000817901192 627956098 /nfs/dbraw/zinc/95/60/98/627956098.db2.gz UUGLRTDHQBXNAU-DDBAPUKQSA-N 2 2 320.502 3.362 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000817919758 627961199 /nfs/dbraw/zinc/96/11/99/627961199.db2.gz VUUYWPAZHXTLJQ-JLBHGKSJSA-N 2 2 317.260 3.145 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817983845 627983210 /nfs/dbraw/zinc/98/32/10/627983210.db2.gz JTARVMKQDHOLLR-ONGXEEELSA-N 2 2 302.249 3.368 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(SC)c(F)c1)C[NH+](C)C ZINC000926962852 627990565 /nfs/dbraw/zinc/99/05/65/627990565.db2.gz NXXZSRIYBBQGFQ-TZMCWYRMSA-N 2 2 314.470 3.165 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(SC)c(F)c1)C[NH+](C)C ZINC000926962847 627990843 /nfs/dbraw/zinc/99/08/43/627990843.db2.gz NXXZSRIYBBQGFQ-GXTWGEPZSA-N 2 2 314.470 3.165 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000818945633 628064703 /nfs/dbraw/zinc/06/47/03/628064703.db2.gz MSVARVBOHKGDPT-FQEVSTJZSA-N 2 2 321.424 3.063 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@](C)(O)c1ccccc1 ZINC000822517021 628459815 /nfs/dbraw/zinc/45/98/15/628459815.db2.gz SVURDTKNFLPANZ-FQEVSTJZSA-N 2 2 321.424 3.212 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@](C)(O)c1ccccc1 ZINC000822517021 628459816 /nfs/dbraw/zinc/45/98/16/628459816.db2.gz SVURDTKNFLPANZ-FQEVSTJZSA-N 2 2 321.424 3.212 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826926875 628904675 /nfs/dbraw/zinc/90/46/75/628904675.db2.gz PNGIUELSVZGVKL-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826926875 628904679 /nfs/dbraw/zinc/90/46/79/628904679.db2.gz PNGIUELSVZGVKL-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c2)[nH+]c1C ZINC000827599421 628975443 /nfs/dbraw/zinc/97/54/43/628975443.db2.gz GLJRONYVJNRZFL-HNNXBMFYSA-N 2 2 312.417 3.164 20 0 DGADLP CCn1c[nH+]cc1CNc1ccc(OCC[NH+](CC)CC)cc1 ZINC000841850693 630471528 /nfs/dbraw/zinc/47/15/28/630471528.db2.gz DANJOYWOPMQUJR-UHFFFAOYSA-N 2 2 316.449 3.236 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000843359618 630649636 /nfs/dbraw/zinc/64/96/36/630649636.db2.gz OJAZOFAZDXAFMV-LSDHHAIUSA-N 2 2 324.900 3.247 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000843359618 630649637 /nfs/dbraw/zinc/64/96/37/630649637.db2.gz OJAZOFAZDXAFMV-LSDHHAIUSA-N 2 2 324.900 3.247 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000845996088 631205002 /nfs/dbraw/zinc/20/50/02/631205002.db2.gz KZQDSQYQTXXOEX-UHFFFAOYSA-N 2 2 308.857 3.055 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000845996088 631205004 /nfs/dbraw/zinc/20/50/04/631205004.db2.gz KZQDSQYQTXXOEX-UHFFFAOYSA-N 2 2 308.857 3.055 20 0 DGADLP C[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CCc2ccccc21 ZINC000846068321 631209120 /nfs/dbraw/zinc/20/91/20/631209120.db2.gz QTKVQYILKZEJEX-AWEZNQCLSA-N 2 2 315.486 3.367 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CCc2ccccc21 ZINC000846068321 631209121 /nfs/dbraw/zinc/20/91/21/631209121.db2.gz QTKVQYILKZEJEX-AWEZNQCLSA-N 2 2 315.486 3.367 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2(CO)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000846104649 631209689 /nfs/dbraw/zinc/20/96/89/631209689.db2.gz JTVCEPWJJMNLKA-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC2(CO)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000846104649 631209690 /nfs/dbraw/zinc/20/96/90/631209690.db2.gz JTVCEPWJJMNLKA-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000846217959 631215434 /nfs/dbraw/zinc/21/54/34/631215434.db2.gz KBDZSCPBJOFBFI-MRXNPFEDSA-N 2 2 314.832 3.372 20 0 DGADLP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000846217959 631215435 /nfs/dbraw/zinc/21/54/35/631215435.db2.gz KBDZSCPBJOFBFI-MRXNPFEDSA-N 2 2 314.832 3.372 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2)[nH+]c1C ZINC000846672927 631283294 /nfs/dbraw/zinc/28/32/94/631283294.db2.gz LRIKOUDVUUUAJY-XJKSGUPXSA-N 2 2 312.417 3.150 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(Cl)n1C)[N@H+](C)Cc1ccccc1 ZINC000848540247 631685445 /nfs/dbraw/zinc/68/54/45/631685445.db2.gz MSXAZGBFRGURTO-CQSZACIVSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(Cl)n1C)[N@@H+](C)Cc1ccccc1 ZINC000848540247 631685448 /nfs/dbraw/zinc/68/54/48/631685448.db2.gz MSXAZGBFRGURTO-CQSZACIVSA-N 2 2 320.868 3.074 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)OC[C@H]3CCCC[N@H+]3C(C)C)ccn12 ZINC000848783055 631747084 /nfs/dbraw/zinc/74/70/84/631747084.db2.gz QOCXQGVALUQNQX-MRXNPFEDSA-N 2 2 315.417 3.062 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)OC[C@H]3CCCC[N@@H+]3C(C)C)ccn12 ZINC000848783055 631747089 /nfs/dbraw/zinc/74/70/89/631747089.db2.gz QOCXQGVALUQNQX-MRXNPFEDSA-N 2 2 315.417 3.062 20 0 DGADLP CCCCNC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054934 631821379 /nfs/dbraw/zinc/82/13/79/631821379.db2.gz YUQGTJBUJGNKJS-MRXNPFEDSA-N 2 2 322.884 3.391 20 0 DGADLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCCCCC1)c1ccc(Cl)cc1 ZINC000849089627 631832591 /nfs/dbraw/zinc/83/25/91/631832591.db2.gz REXKJELWPYPTSR-INIZCTEOSA-N 2 2 322.884 3.343 20 0 DGADLP C[N@@H+]1CCCc2cc(NCc3ccnn3-c3cc[nH+]cc3)ccc21 ZINC000850209170 632081314 /nfs/dbraw/zinc/08/13/14/632081314.db2.gz OZJHQRUZVNSNOM-UHFFFAOYSA-N 2 2 319.412 3.262 20 0 DGADLP C[N@H+]1CCCc2cc(NCc3ccnn3-c3cc[nH+]cc3)ccc21 ZINC000850209170 632081322 /nfs/dbraw/zinc/08/13/22/632081322.db2.gz OZJHQRUZVNSNOM-UHFFFAOYSA-N 2 2 319.412 3.262 20 0 DGADLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000185239430 660211402 /nfs/dbraw/zinc/21/14/02/660211402.db2.gz SMYBPYTZSWJZTO-CYBMUJFWSA-N 2 2 311.813 3.022 20 0 DGADLP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000185239430 660211403 /nfs/dbraw/zinc/21/14/03/660211403.db2.gz SMYBPYTZSWJZTO-CYBMUJFWSA-N 2 2 311.813 3.022 20 0 DGADLP C[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000185239430 660211404 /nfs/dbraw/zinc/21/14/04/660211404.db2.gz SMYBPYTZSWJZTO-CYBMUJFWSA-N 2 2 311.813 3.022 20 0 DGADLP C[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000185239430 660211405 /nfs/dbraw/zinc/21/14/05/660211405.db2.gz SMYBPYTZSWJZTO-CYBMUJFWSA-N 2 2 311.813 3.022 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000793530486 661042057 /nfs/dbraw/zinc/04/20/57/661042057.db2.gz ATPXJNDJHHFFOR-WTLGNFPFSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000793530486 661042061 /nfs/dbraw/zinc/04/20/61/661042061.db2.gz ATPXJNDJHHFFOR-WTLGNFPFSA-N 2 2 302.462 3.261 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074699 655586293 /nfs/dbraw/zinc/58/62/93/655586293.db2.gz QAOOPCCXGIHUNG-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000070074699 655586295 /nfs/dbraw/zinc/58/62/95/655586295.db2.gz QAOOPCCXGIHUNG-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000261687436 655664495 /nfs/dbraw/zinc/66/44/95/655664495.db2.gz HGVOYGGBLZDUPG-CQSZACIVSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000261687436 655664497 /nfs/dbraw/zinc/66/44/97/655664497.db2.gz HGVOYGGBLZDUPG-CQSZACIVSA-N 2 2 304.768 3.112 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778332 661337581 /nfs/dbraw/zinc/33/75/81/661337581.db2.gz GZQFVBASNJZMCB-KKUMJFAQSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778332 661337583 /nfs/dbraw/zinc/33/75/83/661337583.db2.gz GZQFVBASNJZMCB-KKUMJFAQSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778332 661337587 /nfs/dbraw/zinc/33/75/87/661337587.db2.gz GZQFVBASNJZMCB-KKUMJFAQSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929778332 661337589 /nfs/dbraw/zinc/33/75/89/661337589.db2.gz GZQFVBASNJZMCB-KKUMJFAQSA-N 2 2 322.415 3.150 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237652026 655795815 /nfs/dbraw/zinc/79/58/15/655795815.db2.gz NPZULOYZXKJNCY-LJQANCHMSA-N 2 2 307.397 3.004 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237899182 655799657 /nfs/dbraw/zinc/79/96/57/655799657.db2.gz NPZULOYZXKJNCY-IBGZPJMESA-N 2 2 307.397 3.004 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)C(C)C ZINC000182319452 656105062 /nfs/dbraw/zinc/10/50/62/656105062.db2.gz KCMOIPAHVXTLPI-HNNXBMFYSA-N 2 2 305.466 3.294 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](CCCc3c(F)cccc3F)C[C@]2(C)C1 ZINC000931318966 656206608 /nfs/dbraw/zinc/20/66/08/656206608.db2.gz WCFUBGMZZPRCRB-ROUUACIJSA-N 2 2 308.416 3.171 20 0 DGADLP Cc1sc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000227807094 656845250 /nfs/dbraw/zinc/84/52/50/656845250.db2.gz WEBLAYNBLRIAPV-SECBINFHSA-N 2 2 314.252 3.194 20 0 DGADLP CCOc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1O ZINC000319726634 657163031 /nfs/dbraw/zinc/16/30/31/657163031.db2.gz BNZZQHPGZFOQMG-QGZVFWFLSA-N 2 2 317.433 3.192 20 0 DGADLP O[C@H](C[NH+](Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000307529416 657322699 /nfs/dbraw/zinc/32/26/99/657322699.db2.gz LNYIZVIILSGTLP-NRFANRHFSA-N 2 2 324.468 3.146 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)C[C@@H]1C[NH3+] ZINC000163878114 658905963 /nfs/dbraw/zinc/90/59/63/658905963.db2.gz JKHXKCRPAPWIQF-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)C[C@@H]1C[NH3+] ZINC000163878114 658905965 /nfs/dbraw/zinc/90/59/65/658905965.db2.gz JKHXKCRPAPWIQF-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753526 661334634 /nfs/dbraw/zinc/33/46/34/661334634.db2.gz BJDNEDFMAYBYIO-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753526 661334635 /nfs/dbraw/zinc/33/46/35/661334635.db2.gz BJDNEDFMAYBYIO-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753526 661334638 /nfs/dbraw/zinc/33/46/38/661334638.db2.gz BJDNEDFMAYBYIO-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1 ZINC000929753526 661334640 /nfs/dbraw/zinc/33/46/40/661334640.db2.gz BJDNEDFMAYBYIO-IBGZPJMESA-N 2 2 324.472 3.047 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930095568 661366017 /nfs/dbraw/zinc/36/60/17/661366017.db2.gz YJOWAIBTIDZJKX-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930095568 661366020 /nfs/dbraw/zinc/36/60/20/661366020.db2.gz YJOWAIBTIDZJKX-OAHLLOKOSA-N 2 2 308.385 3.065 20 0 DGADLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C ZINC000930128830 661369311 /nfs/dbraw/zinc/36/93/11/661369311.db2.gz HHHNBLUOQIFGTI-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC000931434197 661476076 /nfs/dbraw/zinc/47/60/76/661476076.db2.gz PGICLGQQLIWIQQ-OCCSQVGLSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC000931434197 661476079 /nfs/dbraw/zinc/47/60/79/661476079.db2.gz PGICLGQQLIWIQQ-OCCSQVGLSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC000931434197 661476080 /nfs/dbraw/zinc/47/60/80/661476080.db2.gz PGICLGQQLIWIQQ-OCCSQVGLSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]2C1 ZINC000931434197 661476082 /nfs/dbraw/zinc/47/60/82/661476082.db2.gz PGICLGQQLIWIQQ-OCCSQVGLSA-N 2 2 319.499 3.255 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720516 661502446 /nfs/dbraw/zinc/50/24/46/661502446.db2.gz YUGHGGZMISFJSB-QRQLOZEOSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720516 661502447 /nfs/dbraw/zinc/50/24/47/661502447.db2.gz YUGHGGZMISFJSB-QRQLOZEOSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720516 661502450 /nfs/dbraw/zinc/50/24/50/661502450.db2.gz YUGHGGZMISFJSB-QRQLOZEOSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720516 661502451 /nfs/dbraw/zinc/50/24/51/661502451.db2.gz YUGHGGZMISFJSB-QRQLOZEOSA-N 2 2 302.462 3.008 20 0 DGADLP CCC[N@H+](C[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187103 661685164 /nfs/dbraw/zinc/68/51/64/661685164.db2.gz AXMGQBAOWQOHAG-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP CCC[N@@H+](C[C@@H]1CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187103 661685166 /nfs/dbraw/zinc/68/51/66/661685166.db2.gz AXMGQBAOWQOHAG-IBGZPJMESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000076398181 661980656 /nfs/dbraw/zinc/98/06/56/661980656.db2.gz DXBZKIPLPCALAC-LBPRGKRZSA-N 2 2 313.323 3.208 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C[NH+]1CCCC1 ZINC000190793814 662044423 /nfs/dbraw/zinc/04/44/23/662044423.db2.gz IFGLAMLWXLQKCM-NSHDSACASA-N 2 2 300.805 3.006 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911031 662291111 /nfs/dbraw/zinc/29/11/11/662291111.db2.gz GGNAMNVBMIVRGG-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911031 662291113 /nfs/dbraw/zinc/29/11/13/662291113.db2.gz GGNAMNVBMIVRGG-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911031 662291115 /nfs/dbraw/zinc/29/11/15/662291115.db2.gz GGNAMNVBMIVRGG-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3c4ccccc4oc3=S)CC[C@H]21 ZINC000246911031 662291117 /nfs/dbraw/zinc/29/11/17/662291117.db2.gz GGNAMNVBMIVRGG-ZIAGYGMSSA-N 2 2 317.458 3.337 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C[NH3+] ZINC001576709840 1191864951 /nfs/dbraw/zinc/86/49/51/1191864951.db2.gz WGAKCBXIGYOOIH-XLIONFOSSA-N 3 2 315.505 3.232 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C[NH3+] ZINC001576709840 1191864953 /nfs/dbraw/zinc/86/49/53/1191864953.db2.gz WGAKCBXIGYOOIH-XLIONFOSSA-N 3 2 315.505 3.232 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC001620780903 1191867335 /nfs/dbraw/zinc/86/73/35/1191867335.db2.gz FZBAJWZBQFGFNI-UIMSKZMLSA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC001620780903 1191867338 /nfs/dbraw/zinc/86/73/38/1191867338.db2.gz FZBAJWZBQFGFNI-UIMSKZMLSA-N 2 2 314.473 3.078 20 0 DGADLP CC[N@H+](C[C@H](C[NH3+])C(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710814 1191914003 /nfs/dbraw/zinc/91/40/03/1191914003.db2.gz BXNBHBYCHFRYNN-UXHICEINSA-N 3 2 317.521 3.061 20 0 DGADLP CC[N@@H+](C[C@H](C[NH3+])C(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001577710814 1191914006 /nfs/dbraw/zinc/91/40/06/1191914006.db2.gz BXNBHBYCHFRYNN-UXHICEINSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@H](C[NH3+])C(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001577710814 1191914007 /nfs/dbraw/zinc/91/40/07/1191914007.db2.gz BXNBHBYCHFRYNN-UXHICEINSA-N 3 2 317.521 3.061 20 0 DGADLP CC[NH+](C[C@H](C[NH3+])C(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001577710814 1191914009 /nfs/dbraw/zinc/91/40/09/1191914009.db2.gz BXNBHBYCHFRYNN-UXHICEINSA-N 3 2 317.521 3.061 20 0 DGADLP C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cccc(C[NH3+])c1 ZINC001578493193 1191946441 /nfs/dbraw/zinc/94/64/41/1191946441.db2.gz JGKPHEIDFBHVRU-UHFFFAOYSA-N 2 2 301.459 3.113 20 0 DGADLP C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cccc(C[NH3+])c1 ZINC001578493193 1191946444 /nfs/dbraw/zinc/94/64/44/1191946444.db2.gz JGKPHEIDFBHVRU-UHFFFAOYSA-N 2 2 301.459 3.113 20 0 DGADLP COCC[C@@H]([NH3+])C[NH2+]C(c1cccc(C)c1)c1cccc(C)c1 ZINC001579002958 1191964018 /nfs/dbraw/zinc/96/40/18/1191964018.db2.gz WAFJHMPOABACJC-LJQANCHMSA-N 2 2 312.457 3.346 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212628 1191969481 /nfs/dbraw/zinc/96/94/81/1191969481.db2.gz HHFHJQZCZMSROH-KXBFYZLASA-N 2 2 302.462 3.306 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212628 1191969484 /nfs/dbraw/zinc/96/94/84/1191969484.db2.gz HHFHJQZCZMSROH-KXBFYZLASA-N 2 2 302.462 3.306 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(Br)cc1F ZINC001579601220 1191981934 /nfs/dbraw/zinc/98/19/34/1191981934.db2.gz KZZKHTKICOLNDR-CMPLNLGQSA-N 2 2 315.230 3.127 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC001579648960 1191984592 /nfs/dbraw/zinc/98/45/92/1191984592.db2.gz RGYJOMYYIFLBGR-KRWDZBQOSA-N 2 2 312.461 3.253 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c(N2CCCC2)n1 ZINC001579696867 1191987892 /nfs/dbraw/zinc/98/78/92/1191987892.db2.gz KGTDRYIVMCQNOY-QGZVFWFLSA-N 2 2 318.509 3.233 20 0 DGADLP Clc1ccccc1C[C@H]1CCCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC001579938465 1191999982 /nfs/dbraw/zinc/99/99/82/1191999982.db2.gz GUKBIRVXRXGJTI-SJORKVTESA-N 2 2 322.880 3.116 20 0 DGADLP Clc1ccccc1C[C@H]1CCCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC001579938465 1191999983 /nfs/dbraw/zinc/99/99/83/1191999983.db2.gz GUKBIRVXRXGJTI-SJORKVTESA-N 2 2 322.880 3.116 20 0 DGADLP Clc1ccc2c(ccn2CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001579938456 1192000322 /nfs/dbraw/zinc/00/03/22/1192000322.db2.gz GQQNVZBDLZZLLE-CVEARBPZSA-N 2 2 303.837 3.121 20 0 DGADLP Clc1ccc2c(ccn2CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001579938456 1192000325 /nfs/dbraw/zinc/00/03/25/1192000325.db2.gz GQQNVZBDLZZLLE-CVEARBPZSA-N 2 2 303.837 3.121 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1)CC(F)F ZINC001580131746 1192009195 /nfs/dbraw/zinc/00/91/95/1192009195.db2.gz GZULVSVLECKDGU-NXHRZFHOSA-N 2 2 320.383 3.033 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)c1ccccc1 ZINC001580131550 1192009541 /nfs/dbraw/zinc/00/95/41/1192009541.db2.gz DWLVTQRYLVRABV-SFHVURJKSA-N 2 2 320.396 3.059 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)C1CCCCC1 ZINC001580228969 1192015298 /nfs/dbraw/zinc/01/52/98/1192015298.db2.gz IQVMLESVEBMXKG-INIZCTEOSA-N 2 2 308.853 3.272 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001583786664 1192160652 /nfs/dbraw/zinc/16/06/52/1192160652.db2.gz FFQJRNVHPVTJLG-ZBFHGGJFSA-N 2 2 312.417 3.136 20 0 DGADLP CCc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001620866732 1192486295 /nfs/dbraw/zinc/48/62/95/1192486295.db2.gz GZYHBWWPBAIXJS-IBGZPJMESA-N 2 2 324.472 3.396 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC/C=C\c3ccccc3)[nH+]c2)C1 ZINC001620867080 1192487245 /nfs/dbraw/zinc/48/72/45/1192487245.db2.gz SWPZBHOMPKIQPF-WMHRWZGDSA-N 2 2 322.456 3.347 20 0 DGADLP OCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000129465739 1176433137 /nfs/dbraw/zinc/43/31/37/1176433137.db2.gz YNHBCDNCBFWITB-LJQANCHMSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@@H]1CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000129906889 1177311405 /nfs/dbraw/zinc/31/14/05/1177311405.db2.gz BEEQOCIYRZAVKI-MDZRGWNJSA-N 2 2 302.462 3.369 20 0 DGADLP [NH3+]CC[N@H+](CCCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000339411731 1177795875 /nfs/dbraw/zinc/79/58/75/1177795875.db2.gz ALHVJSFZIXVISM-UHFFFAOYSA-N 2 2 310.441 3.015 20 0 DGADLP [NH3+]CC[N@@H+](CCCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000339411731 1177795881 /nfs/dbraw/zinc/79/58/81/1177795881.db2.gz ALHVJSFZIXVISM-UHFFFAOYSA-N 2 2 310.441 3.015 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001331566191 1178248503 /nfs/dbraw/zinc/24/85/03/1178248503.db2.gz SVPDKWMDGYTHMS-UHFFFAOYSA-N 2 2 313.489 3.347 20 0 DGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC001332276179 1178410660 /nfs/dbraw/zinc/41/06/60/1178410660.db2.gz FCLVYDNOGBYGEP-QFBILLFUSA-N 2 2 317.477 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC001333705114 1178656435 /nfs/dbraw/zinc/65/64/35/1178656435.db2.gz CCJUTXMHQUVMOO-AWEZNQCLSA-N 2 2 316.449 3.160 20 0 DGADLP C[C@H](Nc1nccn2c[nH+]cc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001334982016 1178838576 /nfs/dbraw/zinc/83/85/76/1178838576.db2.gz JUHIFTYKRLMAMP-RDJZCZTQSA-N 2 2 321.428 3.052 20 0 DGADLP C[C@H](Nc1nccn2c[nH+]cc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001334982016 1178838583 /nfs/dbraw/zinc/83/85/83/1178838583.db2.gz JUHIFTYKRLMAMP-RDJZCZTQSA-N 2 2 321.428 3.052 20 0 DGADLP FC(F)(F)c1cnc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001349325019 1179892721 /nfs/dbraw/zinc/89/27/21/1179892721.db2.gz LMYPFCPNLVSDMJ-UHFFFAOYSA-N 2 2 319.396 3.128 20 0 DGADLP FC(F)(F)c1cnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001349325019 1179892733 /nfs/dbraw/zinc/89/27/33/1179892733.db2.gz LMYPFCPNLVSDMJ-UHFFFAOYSA-N 2 2 319.396 3.128 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372017 1180062086 /nfs/dbraw/zinc/06/20/86/1180062086.db2.gz XEMDXTYUEQCOSK-SJLPKXTDSA-N 2 2 319.493 3.270 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372017 1180062092 /nfs/dbraw/zinc/06/20/92/1180062092.db2.gz XEMDXTYUEQCOSK-SJLPKXTDSA-N 2 2 319.493 3.270 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1ccsc1 ZINC001352216376 1180309951 /nfs/dbraw/zinc/30/99/51/1180309951.db2.gz OIASEFWOEUBOTC-NSCUHMNNSA-N 2 2 310.382 3.289 20 0 DGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)Nc1ccccc1 ZINC001353313690 1180525614 /nfs/dbraw/zinc/52/56/14/1180525614.db2.gz XKPTWCQQDGJKHP-QGZVFWFLSA-N 2 2 315.461 3.012 20 0 DGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)Nc1ccccc1 ZINC001353313690 1180525621 /nfs/dbraw/zinc/52/56/21/1180525621.db2.gz XKPTWCQQDGJKHP-QGZVFWFLSA-N 2 2 315.461 3.012 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125121 1193061198 /nfs/dbraw/zinc/06/11/98/1193061198.db2.gz LUVRTXWOMXOFOE-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125121 1193061201 /nfs/dbraw/zinc/06/12/01/1193061201.db2.gz LUVRTXWOMXOFOE-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125121 1193061202 /nfs/dbraw/zinc/06/12/02/1193061202.db2.gz LUVRTXWOMXOFOE-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cncc(Cl)c3Cl)CC[C@H]21 ZINC001621125121 1193061205 /nfs/dbraw/zinc/06/12/05/1193061205.db2.gz LUVRTXWOMXOFOE-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1c[nH]c(=O)c3ccccc13)CC2 ZINC001364657259 1181681713 /nfs/dbraw/zinc/68/17/13/1181681713.db2.gz MZQCBAOKJIBQOA-UHFFFAOYSA-N 2 2 311.429 3.001 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1c[nH]c(=O)c3ccccc13)CC2 ZINC001364657259 1181681715 /nfs/dbraw/zinc/68/17/15/1181681715.db2.gz MZQCBAOKJIBQOA-UHFFFAOYSA-N 2 2 311.429 3.001 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cc(C)ccc1F ZINC001444207981 1182117046 /nfs/dbraw/zinc/11/70/46/1182117046.db2.gz SUIWHABYWUOBQS-UHFFFAOYSA-N 2 2 324.359 3.204 20 0 DGADLP CCCC[N@H+](C)C[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001458414085 1182522061 /nfs/dbraw/zinc/52/20/61/1182522061.db2.gz LOKCHJNZDMUEJJ-AWEZNQCLSA-N 2 2 311.433 3.415 20 0 DGADLP CCCC[N@@H+](C)C[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001458414085 1182522067 /nfs/dbraw/zinc/52/20/67/1182522067.db2.gz LOKCHJNZDMUEJJ-AWEZNQCLSA-N 2 2 311.433 3.415 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC001459904875 1182628455 /nfs/dbraw/zinc/62/84/55/1182628455.db2.gz XDRQAZMNGDUEMK-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1cnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC001459904875 1182628464 /nfs/dbraw/zinc/62/84/64/1182628464.db2.gz XDRQAZMNGDUEMK-IGOJGBNBSA-N 2 2 324.472 3.031 20 0 DGADLP CC1(C)CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001459953566 1182634538 /nfs/dbraw/zinc/63/45/38/1182634538.db2.gz QAZAMTFSCGGFCO-IBGZPJMESA-N 2 2 315.505 3.367 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC001461014666 1182755977 /nfs/dbraw/zinc/75/59/77/1182755977.db2.gz UZUUQUUHNZVKBK-GASCZTMLSA-N 2 2 318.486 3.490 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC001461014666 1182755983 /nfs/dbraw/zinc/75/59/83/1182755983.db2.gz UZUUQUUHNZVKBK-GASCZTMLSA-N 2 2 318.486 3.490 20 0 DGADLP c1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)n(C2CC2)c1 ZINC001461029006 1182758234 /nfs/dbraw/zinc/75/82/34/1182758234.db2.gz DRRDICPMDYHBSS-UHFFFAOYSA-N 2 2 306.413 3.358 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC001461037933 1182760112 /nfs/dbraw/zinc/76/01/12/1182760112.db2.gz CUWXZHPTHSLDDI-NSHDSACASA-N 2 2 304.444 3.246 20 0 DGADLP COc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC001461046680 1182762018 /nfs/dbraw/zinc/76/20/18/1182762018.db2.gz ILNAXWBNENDAOT-GJZGRUSLSA-N 2 2 308.441 3.292 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H]3COCc4ccccc43)c2)c[nH+]1 ZINC001461590481 1182833502 /nfs/dbraw/zinc/83/35/02/1182833502.db2.gz XXFBAHKDBRIISF-QGZVFWFLSA-N 2 2 311.410 3.295 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC001461919325 1182876715 /nfs/dbraw/zinc/87/67/15/1182876715.db2.gz NIDCORNKTAQRQS-MRXNPFEDSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC001461919325 1182876725 /nfs/dbraw/zinc/87/67/25/1182876725.db2.gz NIDCORNKTAQRQS-MRXNPFEDSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC001461919325 1182876734 /nfs/dbraw/zinc/87/67/34/1182876734.db2.gz NIDCORNKTAQRQS-MRXNPFEDSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001461919325 1182876744 /nfs/dbraw/zinc/87/67/44/1182876744.db2.gz NIDCORNKTAQRQS-MRXNPFEDSA-N 2 2 320.452 3.388 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CSC2)C[N@H+](Cc2ccccc2)C1 ZINC001462663624 1182981635 /nfs/dbraw/zinc/98/16/35/1182981635.db2.gz FNAXXRZSUFNEOL-CRAIPNDOSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CSC2)C[N@@H+](Cc2ccccc2)C1 ZINC001462663624 1182981638 /nfs/dbraw/zinc/98/16/38/1182981638.db2.gz FNAXXRZSUFNEOL-CRAIPNDOSA-N 2 2 304.503 3.240 20 0 DGADLP CC[C@@H](C)[N@H+](CCc1c[nH+]cn1C)CCc1ccccc1F ZINC001473129167 1183718631 /nfs/dbraw/zinc/71/86/31/1183718631.db2.gz YLHYEQHQIMOROB-OAHLLOKOSA-N 2 2 303.425 3.445 20 0 DGADLP CC[C@@H](C)[N@@H+](CCc1c[nH+]cn1C)CCc1ccccc1F ZINC001473129167 1183718634 /nfs/dbraw/zinc/71/86/34/1183718634.db2.gz YLHYEQHQIMOROB-OAHLLOKOSA-N 2 2 303.425 3.445 20 0 DGADLP CC(C)C([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC001473314339 1183743350 /nfs/dbraw/zinc/74/33/50/1183743350.db2.gz KQEVPHISLNONAO-UHFFFAOYSA-N 2 2 317.521 3.469 20 0 DGADLP CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC001473483001 1183763117 /nfs/dbraw/zinc/76/31/17/1183763117.db2.gz JCTNSEBGLCRHPG-IEBWSBKVSA-N 2 2 313.445 3.474 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725600 1183794315 /nfs/dbraw/zinc/79/43/15/1183794315.db2.gz RORRWOZVGUMTCI-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725600 1183794319 /nfs/dbraw/zinc/79/43/19/1183794319.db2.gz RORRWOZVGUMTCI-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725600 1183794322 /nfs/dbraw/zinc/79/43/22/1183794322.db2.gz RORRWOZVGUMTCI-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC[C@H]21 ZINC001473725600 1183794327 /nfs/dbraw/zinc/79/43/27/1183794327.db2.gz RORRWOZVGUMTCI-UKRRQHHQSA-N 2 2 314.351 3.111 20 0 DGADLP CC[C@@H](C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909292 1183825616 /nfs/dbraw/zinc/82/56/16/1183825616.db2.gz MPEWTEFZSMVVOZ-HKUYNNGSSA-N 2 2 304.478 3.127 20 0 DGADLP CC[C@@H](C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001473909292 1183825617 /nfs/dbraw/zinc/82/56/17/1183825617.db2.gz MPEWTEFZSMVVOZ-HKUYNNGSSA-N 2 2 304.478 3.127 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001473995173 1183845213 /nfs/dbraw/zinc/84/52/13/1183845213.db2.gz LFDRGQLRIVPBKC-RTBURBONSA-N 2 2 316.489 3.407 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001473995173 1183845217 /nfs/dbraw/zinc/84/52/17/1183845217.db2.gz LFDRGQLRIVPBKC-RTBURBONSA-N 2 2 316.489 3.407 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001473995171 1183846081 /nfs/dbraw/zinc/84/60/81/1183846081.db2.gz LFDRGQLRIVPBKC-RBUKOAKNSA-N 2 2 316.489 3.407 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001473995171 1183846083 /nfs/dbraw/zinc/84/60/83/1183846083.db2.gz LFDRGQLRIVPBKC-RBUKOAKNSA-N 2 2 316.489 3.407 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321108 1183903069 /nfs/dbraw/zinc/90/30/69/1183903069.db2.gz YFHOWBZYCBZONL-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321108 1183903073 /nfs/dbraw/zinc/90/30/73/1183903073.db2.gz YFHOWBZYCBZONL-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321108 1183903077 /nfs/dbraw/zinc/90/30/77/1183903077.db2.gz YFHOWBZYCBZONL-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)ccnc3Cl)CC[C@H]21 ZINC001474321108 1183903079 /nfs/dbraw/zinc/90/30/79/1183903079.db2.gz YFHOWBZYCBZONL-SMDDNHRTSA-N 2 2 314.260 3.305 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC2(CO)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001474608624 1183948113 /nfs/dbraw/zinc/94/81/13/1183948113.db2.gz HBAHYXHWPIXIEJ-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC2(CO)CCC2)C[N@H+]1Cc1ccccc1 ZINC001474608624 1183948118 /nfs/dbraw/zinc/94/81/18/1183948118.db2.gz HBAHYXHWPIXIEJ-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642578 1183954591 /nfs/dbraw/zinc/95/45/91/1183954591.db2.gz PTSXTVDZLPVNFZ-JKSUJKDBSA-N 2 2 311.473 3.408 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642578 1183954594 /nfs/dbraw/zinc/95/45/94/1183954594.db2.gz PTSXTVDZLPVNFZ-JKSUJKDBSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)C1 ZINC001474650050 1183955635 /nfs/dbraw/zinc/95/56/35/1183955635.db2.gz KYQBDALHRGSOSR-OAHLLOKOSA-N 2 2 303.425 3.232 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)C1 ZINC001474650050 1183955639 /nfs/dbraw/zinc/95/56/39/1183955639.db2.gz KYQBDALHRGSOSR-OAHLLOKOSA-N 2 2 303.425 3.232 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001474754818 1183973841 /nfs/dbraw/zinc/97/38/41/1183973841.db2.gz IXPPYSSSCFRTGB-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)nn1 ZINC001474754818 1183973843 /nfs/dbraw/zinc/97/38/43/1183973843.db2.gz IXPPYSSSCFRTGB-HNNXBMFYSA-N 2 2 313.449 3.116 20 0 DGADLP CCC(CC)C[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001480773142 1184603935 /nfs/dbraw/zinc/60/39/35/1184603935.db2.gz VDNLWQCPQZUMEA-ZDUSSCGKSA-N 2 2 316.449 3.097 20 0 DGADLP CCC[NH2+]CC[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001495371996 1185039675 /nfs/dbraw/zinc/03/96/75/1185039675.db2.gz OFSVXZIHIULFIK-QGZVFWFLSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)CCCCCF)c(C)[nH+]1 ZINC001496748746 1185242008 /nfs/dbraw/zinc/24/20/08/1185242008.db2.gz JZEKGFUZLXFSJL-UHFFFAOYSA-N 2 2 323.456 3.150 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)CCCCCF)c(C)[nH+]1 ZINC001496748746 1185242025 /nfs/dbraw/zinc/24/20/25/1185242025.db2.gz JZEKGFUZLXFSJL-UHFFFAOYSA-N 2 2 323.456 3.150 20 0 DGADLP CCC[NH2+][C@@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001506388770 1186219816 /nfs/dbraw/zinc/21/98/16/1186219816.db2.gz YIVWVDMOCRBJNP-KRWDZBQOSA-N 2 2 319.493 3.493 20 0 DGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001507086406 1186357529 /nfs/dbraw/zinc/35/75/29/1186357529.db2.gz FKYDVRDPHTXSRP-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C[C@H]([NH3+])CC(C)C)c2)[nH+]c1C ZINC001521455807 1187024250 /nfs/dbraw/zinc/02/42/50/1187024250.db2.gz ZWPZBYTUGNJSMC-OAHLLOKOSA-N 2 2 314.433 3.396 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001656553251 1196049283 /nfs/dbraw/zinc/04/92/83/1196049283.db2.gz IKEYMKFNFBLJPT-LBPRGKRZSA-N 2 2 302.249 3.183 20 0 DGADLP O=c1[nH]cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC001615990590 1193531617 /nfs/dbraw/zinc/53/16/17/1193531617.db2.gz DYIZAADNAJISQM-ZDUSSCGKSA-N 2 2 308.385 3.043 20 0 DGADLP O=c1[nH]cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC001615990590 1193531618 /nfs/dbraw/zinc/53/16/18/1193531618.db2.gz DYIZAADNAJISQM-ZDUSSCGKSA-N 2 2 308.385 3.043 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001548337692 1188455868 /nfs/dbraw/zinc/45/58/68/1188455868.db2.gz LZAALUOPWKBGHL-JKSUJKDBSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001548337692 1188455870 /nfs/dbraw/zinc/45/58/70/1188455870.db2.gz LZAALUOPWKBGHL-JKSUJKDBSA-N 2 2 303.450 3.091 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549087365 1188493039 /nfs/dbraw/zinc/49/30/39/1188493039.db2.gz GGFZFACZGYXEIJ-BEFAXECRSA-N 2 2 312.461 3.007 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549087365 1188493042 /nfs/dbraw/zinc/49/30/42/1188493042.db2.gz GGFZFACZGYXEIJ-BEFAXECRSA-N 2 2 312.461 3.007 20 0 DGADLP c1c[nH+]c([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC001550133575 1188584496 /nfs/dbraw/zinc/58/44/96/1188584496.db2.gz TXGOCAFSXSAKRH-LJQANCHMSA-N 3 2 324.472 3.385 20 0 DGADLP c1c[nH+]c([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC001550133575 1188584498 /nfs/dbraw/zinc/58/44/98/1188584498.db2.gz TXGOCAFSXSAKRH-LJQANCHMSA-N 3 2 324.472 3.385 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001550174487 1188590486 /nfs/dbraw/zinc/59/04/86/1188590486.db2.gz BBPXRCFKEUDWPF-CWRNSKLLSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001550174487 1188590490 /nfs/dbraw/zinc/59/04/90/1188590490.db2.gz BBPXRCFKEUDWPF-CWRNSKLLSA-N 2 2 312.379 3.378 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001550520204 1188618559 /nfs/dbraw/zinc/61/85/59/1188618559.db2.gz KHOHPHFAMUDKCA-NUJGCVRESA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001550520204 1188618564 /nfs/dbraw/zinc/61/85/64/1188618564.db2.gz KHOHPHFAMUDKCA-NUJGCVRESA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001550520203 1188618636 /nfs/dbraw/zinc/61/86/36/1188618636.db2.gz KHOHPHFAMUDKCA-JFIYKMOQSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001550520203 1188618638 /nfs/dbraw/zinc/61/86/38/1188618638.db2.gz KHOHPHFAMUDKCA-JFIYKMOQSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001550624680 1188632963 /nfs/dbraw/zinc/63/29/63/1188632963.db2.gz YRHUPYZESOBPQN-QGZVFWFLSA-N 2 2 311.429 3.125 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001550624680 1188632966 /nfs/dbraw/zinc/63/29/66/1188632966.db2.gz YRHUPYZESOBPQN-QGZVFWFLSA-N 2 2 311.429 3.125 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001551379632 1188732925 /nfs/dbraw/zinc/73/29/25/1188732925.db2.gz ZESNCYQMSYHYQJ-ILJMMEOASA-N 2 2 322.452 3.402 20 0 DGADLP CCc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc(CC)[nH+]1 ZINC001559238740 1189185575 /nfs/dbraw/zinc/18/55/75/1189185575.db2.gz VAELIJWAJICGEM-INIZCTEOSA-N 2 2 302.466 3.420 20 0 DGADLP CCc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc(CC)[nH+]1 ZINC001559238740 1189185577 /nfs/dbraw/zinc/18/55/77/1189185577.db2.gz VAELIJWAJICGEM-INIZCTEOSA-N 2 2 302.466 3.420 20 0 DGADLP CCOC(=O)CCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001559744825 1189237644 /nfs/dbraw/zinc/23/76/44/1189237644.db2.gz XUEDCGMGFCPOSB-UHFFFAOYSA-N 2 2 321.465 3.109 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001559777636 1189241258 /nfs/dbraw/zinc/24/12/58/1189241258.db2.gz SRFHPMJMSIHEBQ-FUHWJXTLSA-N 2 2 312.498 3.207 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001559777636 1189241261 /nfs/dbraw/zinc/24/12/61/1189241261.db2.gz SRFHPMJMSIHEBQ-FUHWJXTLSA-N 2 2 312.498 3.207 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC001560234646 1189296281 /nfs/dbraw/zinc/29/62/81/1189296281.db2.gz LHUIUZHHMFEKMZ-INIZCTEOSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC001560234646 1189296284 /nfs/dbraw/zinc/29/62/84/1189296284.db2.gz LHUIUZHHMFEKMZ-INIZCTEOSA-N 2 2 305.466 3.244 20 0 DGADLP CCOc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)o1 ZINC001560253070 1189300232 /nfs/dbraw/zinc/30/02/32/1189300232.db2.gz WLJKKFQAMVTWNC-UHFFFAOYSA-N 2 2 302.418 3.290 20 0 DGADLP CCOc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)o1 ZINC001560253070 1189300236 /nfs/dbraw/zinc/30/02/36/1189300236.db2.gz WLJKKFQAMVTWNC-UHFFFAOYSA-N 2 2 302.418 3.290 20 0 DGADLP C[C@H](O)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001560290806 1189306360 /nfs/dbraw/zinc/30/63/60/1189306360.db2.gz PMJROYVCXRNIBJ-ZDUSSCGKSA-N 2 2 313.426 3.277 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001560615826 1189348308 /nfs/dbraw/zinc/34/83/08/1189348308.db2.gz BVUUWNXURBCUQS-IRXDYDNUSA-N 2 2 324.509 3.210 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001560615826 1189348311 /nfs/dbraw/zinc/34/83/11/1189348311.db2.gz BVUUWNXURBCUQS-IRXDYDNUSA-N 2 2 324.509 3.210 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)nc2scc(C)n12 ZINC001560812578 1189386350 /nfs/dbraw/zinc/38/63/50/1189386350.db2.gz WZVFIXGCVUXXQJ-UHFFFAOYSA-N 2 2 308.495 3.176 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)nc2scc(C)n12 ZINC001560812578 1189386354 /nfs/dbraw/zinc/38/63/54/1189386354.db2.gz WZVFIXGCVUXXQJ-UHFFFAOYSA-N 2 2 308.495 3.176 20 0 DGADLP CCC[N@@H+]1CC[C@H](N[C@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945561 1189408667 /nfs/dbraw/zinc/40/86/67/1189408667.db2.gz DENZTPSBXJZNHV-IHPCNDPISA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CC[C@H](N[C@H]2CC[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945561 1189408670 /nfs/dbraw/zinc/40/86/70/1189408670.db2.gz DENZTPSBXJZNHV-IHPCNDPISA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001560945561 1189408673 /nfs/dbraw/zinc/40/86/73/1189408673.db2.gz DENZTPSBXJZNHV-IHPCNDPISA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001560945561 1189408674 /nfs/dbraw/zinc/40/86/74/1189408674.db2.gz DENZTPSBXJZNHV-IHPCNDPISA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944260 1189408696 /nfs/dbraw/zinc/40/86/96/1189408696.db2.gz CQLGKXDMRBSGNH-JKSUJKDBSA-N 2 2 312.498 3.208 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(C)(C)C(=O)OCC)C1 ZINC001560944260 1189408697 /nfs/dbraw/zinc/40/86/97/1189408697.db2.gz CQLGKXDMRBSGNH-JKSUJKDBSA-N 2 2 312.498 3.208 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001560973347 1189413654 /nfs/dbraw/zinc/41/36/54/1189413654.db2.gz RCRAQKJFUZWZIR-IHPCNDPISA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001560973347 1189413658 /nfs/dbraw/zinc/41/36/58/1189413658.db2.gz RCRAQKJFUZWZIR-IHPCNDPISA-N 2 2 316.489 3.446 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnsc2)[C@H]1c1cccs1 ZINC001657279534 1196126841 /nfs/dbraw/zinc/12/68/41/1196126841.db2.gz ZWACNOWMPSXRAF-ZFWWWQNUSA-N 2 2 307.488 3.377 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001567039502 1190003537 /nfs/dbraw/zinc/00/35/37/1190003537.db2.gz HVLDTPDBTKQJDQ-OAHLLOKOSA-N 2 2 315.461 3.215 20 0 DGADLP CC/C=C/CC[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568646656 1190573198 /nfs/dbraw/zinc/57/31/98/1190573198.db2.gz RNKSGBAQAKYMEI-ISZGNANSSA-N 2 2 314.433 3.017 20 0 DGADLP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001569008331 1190607318 /nfs/dbraw/zinc/60/73/18/1190607318.db2.gz MZJFIAVRFKNIHV-ZPIQOJFGSA-N 2 2 303.450 3.071 20 0 DGADLP CC/C=C\CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001569409772 1190692762 /nfs/dbraw/zinc/69/27/62/1190692762.db2.gz MMTDBMFYJKVDNH-SREVYHEPSA-N 2 2 315.461 3.215 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CC(C)C)c(C)[nH+]1 ZINC001571288355 1190989675 /nfs/dbraw/zinc/98/96/75/1190989675.db2.gz PPSGFCNCDAERHX-AWEZNQCLSA-N 2 2 305.466 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001571397556 1191013497 /nfs/dbraw/zinc/01/34/97/1191013497.db2.gz BFDZXSZBNXFCTE-YAJUMTOWSA-N 2 2 317.477 3.103 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C2CCCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001576253441 1191550495 /nfs/dbraw/zinc/55/04/95/1191550495.db2.gz WJPTUSBVCTUOQN-BEFAXECRSA-N 2 2 302.462 3.201 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001621243681 1193821645 /nfs/dbraw/zinc/82/16/45/1193821645.db2.gz QFZABWAPGVHIQZ-CYBMUJFWSA-N 2 2 308.376 3.071 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001621487430 1193848992 /nfs/dbraw/zinc/84/89/92/1193848992.db2.gz XSHWZKJZTBLYFV-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001621487430 1193848994 /nfs/dbraw/zinc/84/89/94/1193848994.db2.gz XSHWZKJZTBLYFV-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP COC1CC(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001621569389 1193860343 /nfs/dbraw/zinc/86/03/43/1193860343.db2.gz SXTJZWGENXXASS-HWOWSKLDSA-N 2 2 305.466 3.243 20 0 DGADLP COC1CC(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001621569389 1193860344 /nfs/dbraw/zinc/86/03/44/1193860344.db2.gz SXTJZWGENXXASS-HWOWSKLDSA-N 2 2 305.466 3.243 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381447 1195105102 /nfs/dbraw/zinc/10/51/02/1195105102.db2.gz CPRPWOWIUVDKHZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381447 1195105104 /nfs/dbraw/zinc/10/51/04/1195105104.db2.gz CPRPWOWIUVDKHZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381447 1195105107 /nfs/dbraw/zinc/10/51/07/1195105107.db2.gz CPRPWOWIUVDKHZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381447 1195105110 /nfs/dbraw/zinc/10/51/10/1195105110.db2.gz CPRPWOWIUVDKHZ-YVSFHVDLSA-N 2 2 306.400 3.204 20 0 DGADLP Cc1cnccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424546 1195107331 /nfs/dbraw/zinc/10/73/31/1195107331.db2.gz HUTCMRICUMZBAN-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424546 1195107334 /nfs/dbraw/zinc/10/73/34/1195107334.db2.gz HUTCMRICUMZBAN-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424546 1195107336 /nfs/dbraw/zinc/10/73/36/1195107336.db2.gz HUTCMRICUMZBAN-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424546 1195107339 /nfs/dbraw/zinc/10/73/39/1195107339.db2.gz HUTCMRICUMZBAN-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001648308359 1195291289 /nfs/dbraw/zinc/29/12/89/1195291289.db2.gz WSRJZDVXIPEXSU-AWEZNQCLSA-N 2 2 306.425 3.120 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC001648646767 1195317960 /nfs/dbraw/zinc/31/79/60/1195317960.db2.gz CLYSFLYCCKCQNV-JFIYKMOQSA-N 2 2 319.493 3.369 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC001648646767 1195317966 /nfs/dbraw/zinc/31/79/66/1195317966.db2.gz CLYSFLYCCKCQNV-JFIYKMOQSA-N 2 2 319.493 3.369 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001651117295 1195416013 /nfs/dbraw/zinc/41/60/13/1195416013.db2.gz UCVFCJVJQGNDKN-PDGUBNMISA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001651117295 1195416017 /nfs/dbraw/zinc/41/60/17/1195416017.db2.gz UCVFCJVJQGNDKN-PDGUBNMISA-N 2 2 316.489 3.061 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000065888720 1195474250 /nfs/dbraw/zinc/47/42/50/1195474250.db2.gz SFDHBFWLRRSKNI-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000065888720 1195474253 /nfs/dbraw/zinc/47/42/53/1195474253.db2.gz SFDHBFWLRRSKNI-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CCc1cc(NCC[N@H+](C)Cc2ccc(F)cc2)nc(CC)[nH+]1 ZINC001651600155 1195485590 /nfs/dbraw/zinc/48/55/90/1195485590.db2.gz PUZKUSPZJMTINF-UHFFFAOYSA-N 2 2 316.424 3.284 20 0 DGADLP CCc1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)nc(CC)[nH+]1 ZINC001651600155 1195485592 /nfs/dbraw/zinc/48/55/92/1195485592.db2.gz PUZKUSPZJMTINF-UHFFFAOYSA-N 2 2 316.424 3.284 20 0 DGADLP CCc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)cc(C)[nH+]1 ZINC001652317707 1195580394 /nfs/dbraw/zinc/58/03/94/1195580394.db2.gz CXWIEQAYHWMCAQ-JKSUJKDBSA-N 2 2 302.466 3.047 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001652371844 1195588655 /nfs/dbraw/zinc/58/86/55/1195588655.db2.gz FRSHIOWRAAASMI-KVSKMBFKSA-N 2 2 316.489 3.336 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1COc2ccccc2C1 ZINC001652371844 1195588659 /nfs/dbraw/zinc/58/86/59/1195588659.db2.gz FRSHIOWRAAASMI-KVSKMBFKSA-N 2 2 316.489 3.336 20 0 DGADLP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2[nH+]ccn21 ZINC001654179984 1195782175 /nfs/dbraw/zinc/78/21/75/1195782175.db2.gz VZJOBKRYGMWQEV-UHFFFAOYSA-N 2 2 320.396 3.182 20 0 DGADLP CC[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218648 1195784820 /nfs/dbraw/zinc/78/48/20/1195784820.db2.gz ODRKFLLIVMMGLE-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218648 1195784822 /nfs/dbraw/zinc/78/48/22/1195784822.db2.gz ODRKFLLIVMMGLE-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218648 1195784825 /nfs/dbraw/zinc/78/48/25/1195784825.db2.gz ODRKFLLIVMMGLE-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC001654218648 1195784831 /nfs/dbraw/zinc/78/48/31/1195784831.db2.gz ODRKFLLIVMMGLE-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC001654909749 1195854757 /nfs/dbraw/zinc/85/47/57/1195854757.db2.gz URYNTHUWGNQVPR-LJQANCHMSA-N 2 2 313.445 3.212 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123960 1195879557 /nfs/dbraw/zinc/87/95/57/1195879557.db2.gz YUIREFLHPORCTL-QAPCUYQASA-N 2 2 305.466 3.195 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130692 1195879653 /nfs/dbraw/zinc/87/96/53/1195879653.db2.gz LAHHQXJLWHKPKF-DLBZAZTESA-N 3 2 318.509 3.302 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130692 1195879662 /nfs/dbraw/zinc/87/96/62/1195879662.db2.gz LAHHQXJLWHKPKF-DLBZAZTESA-N 3 2 318.509 3.302 20 0 DGADLP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130504 1195880249 /nfs/dbraw/zinc/88/02/49/1195880249.db2.gz IXNXERFCKQCFCD-HRCADAONSA-N 2 2 305.466 3.243 20 0 DGADLP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130504 1195880252 /nfs/dbraw/zinc/88/02/52/1195880252.db2.gz IXNXERFCKQCFCD-HRCADAONSA-N 2 2 305.466 3.243 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC001655302318 1195901011 /nfs/dbraw/zinc/90/10/11/1195901011.db2.gz VGLBDJFXHDIQGF-BETUJISGSA-N 2 2 313.848 3.332 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC001655302318 1195901012 /nfs/dbraw/zinc/90/10/12/1195901012.db2.gz VGLBDJFXHDIQGF-BETUJISGSA-N 2 2 313.848 3.332 20 0 DGADLP Cc1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001655529333 1195927815 /nfs/dbraw/zinc/92/78/15/1195927815.db2.gz NXMRYQQMTFVQRE-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001655529333 1195927818 /nfs/dbraw/zinc/92/78/18/1195927818.db2.gz NXMRYQQMTFVQRE-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001655529333 1195927821 /nfs/dbraw/zinc/92/78/21/1195927821.db2.gz NXMRYQQMTFVQRE-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001655529333 1195927822 /nfs/dbraw/zinc/92/78/22/1195927822.db2.gz NXMRYQQMTFVQRE-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001655947659 1195981075 /nfs/dbraw/zinc/98/10/75/1195981075.db2.gz KSKJWUQCSAWGIF-SFHVURJKSA-N 2 2 324.472 3.451 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC001655996461 1195985848 /nfs/dbraw/zinc/98/58/48/1195985848.db2.gz RDBRQAJACQHFNI-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC001655996461 1195985849 /nfs/dbraw/zinc/98/58/49/1195985849.db2.gz RDBRQAJACQHFNI-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP CCc1ncc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC001656037384 1195990292 /nfs/dbraw/zinc/99/02/92/1195990292.db2.gz YXSQSHCJLXIELP-UHFFFAOYSA-N 2 2 315.486 3.244 20 0 DGADLP CCc1ncc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC001656037384 1195990295 /nfs/dbraw/zinc/99/02/95/1195990295.db2.gz YXSQSHCJLXIELP-UHFFFAOYSA-N 2 2 315.486 3.244 20 0 DGADLP C[C@H](CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159542 1196012148 /nfs/dbraw/zinc/01/21/48/1196012148.db2.gz MWHTVLIFUUBAJE-QWFCFKBJSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC001656159542 1196012150 /nfs/dbraw/zinc/01/21/50/1196012150.db2.gz MWHTVLIFUUBAJE-QWFCFKBJSA-N 2 2 315.505 3.286 20 0 DGADLP COCc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001656292377 1196027997 /nfs/dbraw/zinc/02/79/97/1196027997.db2.gz UZZZNBVHFIYDTQ-IBGZPJMESA-N 2 2 304.478 3.433 20 0 DGADLP CO[C@@H](C[NH+]1CCC(c2c[nH+]cn2C)CC1)c1ccc(F)cc1 ZINC001656549067 1196049458 /nfs/dbraw/zinc/04/94/58/1196049458.db2.gz IJCLZEBJKXPJOR-SFHVURJKSA-N 2 2 317.408 3.126 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC001656669290 1196060079 /nfs/dbraw/zinc/06/00/79/1196060079.db2.gz MHLWQPNKPOPZAV-UHFFFAOYSA-N 2 2 313.420 3.463 20 0 DGADLP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(OC(F)F)c1 ZINC001656746480 1196068265 /nfs/dbraw/zinc/06/82/65/1196068265.db2.gz KZPVQLDQMAILPU-UHFFFAOYSA-N 2 2 316.392 3.117 20 0 DGADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c(OC(F)F)c1 ZINC001656746480 1196068267 /nfs/dbraw/zinc/06/82/67/1196068267.db2.gz KZPVQLDQMAILPU-UHFFFAOYSA-N 2 2 316.392 3.117 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CCCOC2)c(C)c1 ZINC001656983117 1196089200 /nfs/dbraw/zinc/08/92/00/1196089200.db2.gz XAQJOLISHRVDRI-HKUYNNGSSA-N 2 2 313.445 3.257 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnsc2)[C@H]1c1cccs1 ZINC001657279534 1196126840 /nfs/dbraw/zinc/12/68/40/1196126840.db2.gz ZWACNOWMPSXRAF-ZFWWWQNUSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccnn1-c1cc[nH+]cc1 ZINC001657354811 1196133523 /nfs/dbraw/zinc/13/35/23/1196133523.db2.gz YRESJSATUYVXPY-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccnn1-c1cc[nH+]cc1 ZINC001657354811 1196133526 /nfs/dbraw/zinc/13/35/26/1196133526.db2.gz YRESJSATUYVXPY-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CO2 ZINC001657417687 1196139000 /nfs/dbraw/zinc/13/90/00/1196139000.db2.gz BGUVCEYONGBSLC-INIZCTEOSA-N 2 2 311.410 3.466 20 0 DGADLP CCCn1cncc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001658010478 1196201256 /nfs/dbraw/zinc/20/12/56/1196201256.db2.gz SENMHUAHZZIMTM-UHFFFAOYSA-N 2 2 315.465 3.182 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001658132935 1196214833 /nfs/dbraw/zinc/21/48/33/1196214833.db2.gz UOEONLSHEJYENR-NUJGCVRESA-N 2 2 304.478 3.179 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001658132935 1196214835 /nfs/dbraw/zinc/21/48/35/1196214835.db2.gz UOEONLSHEJYENR-NUJGCVRESA-N 2 2 304.478 3.179 20 0 DGADLP c1cc2nsnc2c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001658297356 1196238260 /nfs/dbraw/zinc/23/82/60/1196238260.db2.gz FMASVTZOEBLJPR-HNNXBMFYSA-N 2 2 316.474 3.188 20 0 DGADLP c1cc2nsnc2c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001658297356 1196238268 /nfs/dbraw/zinc/23/82/68/1196238268.db2.gz FMASVTZOEBLJPR-HNNXBMFYSA-N 2 2 316.474 3.188 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001658440910 1196256845 /nfs/dbraw/zinc/25/68/45/1196256845.db2.gz NFFJXPXQIVOLLL-GUDVDZBRSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001658440910 1196256850 /nfs/dbraw/zinc/25/68/50/1196256850.db2.gz NFFJXPXQIVOLLL-GUDVDZBRSA-N 2 2 308.510 3.390 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2cnc3ccccn23)c2ccccc2)c[nH+]1 ZINC001658487598 1196263104 /nfs/dbraw/zinc/26/31/04/1196263104.db2.gz IWNZQWFTGVDNPD-GOSISDBHSA-N 2 2 317.396 3.062 20 0 DGADLP Cc1cc(C)nc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001658495842 1196265325 /nfs/dbraw/zinc/26/53/25/1196265325.db2.gz FPTXCGCLTSJHGW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)nc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001658495842 1196265329 /nfs/dbraw/zinc/26/53/29/1196265329.db2.gz FPTXCGCLTSJHGW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)nc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001658495842 1196265334 /nfs/dbraw/zinc/26/53/34/1196265334.db2.gz FPTXCGCLTSJHGW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)nc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001658495842 1196265337 /nfs/dbraw/zinc/26/53/37/1196265337.db2.gz FPTXCGCLTSJHGW-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001658631952 1196282687 /nfs/dbraw/zinc/28/26/87/1196282687.db2.gz QXYXOYYGCBXITG-GOEBONIOSA-N 2 2 322.449 3.009 20 0 DGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)o1 ZINC001658631952 1196282690 /nfs/dbraw/zinc/28/26/90/1196282690.db2.gz QXYXOYYGCBXITG-GOEBONIOSA-N 2 2 322.449 3.009 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC001658786709 1196300877 /nfs/dbraw/zinc/30/08/77/1196300877.db2.gz YFDBAGCPEUIGRU-HUUCEWRRSA-N 2 2 320.477 3.229 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001658945512 1196323095 /nfs/dbraw/zinc/32/30/95/1196323095.db2.gz PNBDNJOGJBYGME-SXLOBPIMSA-N 2 2 317.521 3.012 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001658945512 1196323098 /nfs/dbraw/zinc/32/30/98/1196323098.db2.gz PNBDNJOGJBYGME-SXLOBPIMSA-N 2 2 317.521 3.012 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CCN1c1cc[nH+]cc1 ZINC001659974590 1196433489 /nfs/dbraw/zinc/43/34/89/1196433489.db2.gz APBGHZSUGJKAML-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CCN1c1cc[nH+]cc1 ZINC001659974590 1196433493 /nfs/dbraw/zinc/43/34/93/1196433493.db2.gz APBGHZSUGJKAML-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP Cc1n[nH]c(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001660238674 1196460907 /nfs/dbraw/zinc/46/09/07/1196460907.db2.gz RNZWZLIRYYLPGF-HNNXBMFYSA-N 2 2 315.465 3.358 20 0 DGADLP Cc1n[nH]c(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1C ZINC001660238674 1196460912 /nfs/dbraw/zinc/46/09/12/1196460912.db2.gz RNZWZLIRYYLPGF-HNNXBMFYSA-N 2 2 315.465 3.358 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878020 1196537914 /nfs/dbraw/zinc/53/79/14/1196537914.db2.gz NGYXGTSJUILJEX-HOTGVXAUSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878020 1196537923 /nfs/dbraw/zinc/53/79/23/1196537923.db2.gz NGYXGTSJUILJEX-HOTGVXAUSA-N 2 2 308.510 3.434 20 0 DGADLP CS[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001661558464 1196619525 /nfs/dbraw/zinc/61/95/25/1196619525.db2.gz WNQBNRWZAUVOGM-ZWKOTPCHSA-N 2 2 318.530 3.349 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC001661975389 1196667907 /nfs/dbraw/zinc/66/79/07/1196667907.db2.gz LFDBWIKIBACIHV-HNNXBMFYSA-N 2 2 316.474 3.204 20 0 DGADLP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001662659971 1196737296 /nfs/dbraw/zinc/73/72/96/1196737296.db2.gz IBLXZVQZNJUIJT-KRWDZBQOSA-N 2 2 317.477 3.249 20 0 DGADLP Clc1cc(C[NH2+]C2CC=CC2)ccc1OCCn1cc[nH+]c1 ZINC001662807972 1196754135 /nfs/dbraw/zinc/75/41/35/1196754135.db2.gz FXFFEHLRIRULFN-UHFFFAOYSA-N 2 2 317.820 3.424 20 0 DGADLP CCCCCC[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663234827 1196816556 /nfs/dbraw/zinc/81/65/56/1196816556.db2.gz VSDDTGKOAFTUNH-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCCCC[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663234827 1196816557 /nfs/dbraw/zinc/81/65/57/1196816557.db2.gz VSDDTGKOAFTUNH-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001663718623 1196933660 /nfs/dbraw/zinc/93/36/60/1196933660.db2.gz ZVLKRNLYSIJUQD-ROUUACIJSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1c[nH+]cc1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001663718623 1196933661 /nfs/dbraw/zinc/93/36/61/1196933661.db2.gz ZVLKRNLYSIJUQD-ROUUACIJSA-N 2 2 318.509 3.380 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102367 1197097620 /nfs/dbraw/zinc/09/76/20/1197097620.db2.gz QQWPREQWWMGYLP-CEXWTWQISA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102367 1197097626 /nfs/dbraw/zinc/09/76/26/1197097626.db2.gz QQWPREQWWMGYLP-CEXWTWQISA-N 2 2 308.510 3.390 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccns2)C[N@H+](Cc2ccccc2)C1 ZINC001665542156 1197149919 /nfs/dbraw/zinc/14/99/19/1197149919.db2.gz FTSLWQFIQFOXHC-RDJZCZTQSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2ccns2)C[N@@H+](Cc2ccccc2)C1 ZINC001665542156 1197149921 /nfs/dbraw/zinc/14/99/21/1197149921.db2.gz FTSLWQFIQFOXHC-RDJZCZTQSA-N 2 2 315.486 3.186 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001665848024 1197206747 /nfs/dbraw/zinc/20/67/47/1197206747.db2.gz OQAUYVRXIHRWDL-UHFFFAOYSA-N 2 2 318.383 3.431 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001665848024 1197206749 /nfs/dbraw/zinc/20/67/49/1197206749.db2.gz OQAUYVRXIHRWDL-UHFFFAOYSA-N 2 2 318.383 3.431 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@@H](C)COC ZINC001665965596 1197222185 /nfs/dbraw/zinc/22/21/85/1197222185.db2.gz OEKHZXSCERPIHQ-OAHLLOKOSA-N 2 2 318.465 3.073 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001666439647 1197260603 /nfs/dbraw/zinc/26/06/03/1197260603.db2.gz UXJCBDAMTCNLJC-QGZVFWFLSA-N 2 2 315.461 3.001 20 0 DGADLP CCCCC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001667467908 1197351500 /nfs/dbraw/zinc/35/15/00/1197351500.db2.gz DUSJFEXZVSCBEH-KRWDZBQOSA-N 2 2 316.449 3.097 20 0 DGADLP CC(C)=CC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001667478639 1197352339 /nfs/dbraw/zinc/35/23/39/1197352339.db2.gz NQYWGKIWIOWCAH-QGZVFWFLSA-N 2 2 317.477 3.317 20 0 DGADLP COc1c(C)c[nH+]c(CN2C[C@H](C)[NH2+]Cc3ccccc32)c1C ZINC000391280368 1197714518 /nfs/dbraw/zinc/71/45/18/1197714518.db2.gz HOCDKXSZUQRZEJ-AWEZNQCLSA-N 2 2 311.429 3.205 20 0 DGADLP CC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964196 1197936356 /nfs/dbraw/zinc/93/63/56/1197936356.db2.gz AQPQRZUTRZXZPY-FDMDGMSGSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C/CC[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964196 1197936359 /nfs/dbraw/zinc/93/63/59/1197936359.db2.gz AQPQRZUTRZXZPY-FDMDGMSGSA-N 2 2 317.477 3.413 20 0 DGADLP CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305261408 1199679933 /nfs/dbraw/zinc/67/99/33/1199679933.db2.gz OKFXYPIDYDGSNR-KRWDZBQOSA-N 2 2 301.434 3.005 20 0 DGADLP CCn1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000116367609 1199797695 /nfs/dbraw/zinc/79/76/95/1199797695.db2.gz CAKNOOMWHXMHCO-MRXNPFEDSA-N 2 2 312.461 3.218 20 0 DGADLP CCCCC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001690161198 1200427811 /nfs/dbraw/zinc/42/78/11/1200427811.db2.gz XICJUCNMKAPLJU-KRWDZBQOSA-N 2 2 317.477 3.295 20 0 DGADLP CC[NH2+]CCCCCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001692159206 1200952544 /nfs/dbraw/zinc/95/25/44/1200952544.db2.gz IAUXNWOGBRBZTG-UHFFFAOYSA-N 2 2 305.466 3.249 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000131227856 1201141181 /nfs/dbraw/zinc/14/11/81/1201141181.db2.gz DIIJKNGVZNZRGE-UHFFFAOYSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698831954 1201484973 /nfs/dbraw/zinc/48/49/73/1201484973.db2.gz BPOFMJPACNZYLM-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CC2CC2)CC(C)C)c(C)[nH+]1 ZINC001698874759 1201536120 /nfs/dbraw/zinc/53/61/20/1201536120.db2.gz GHBZODNNZVAUOA-KRWDZBQOSA-N 2 2 317.477 3.151 20 0 DGADLP CCOC(=O)CC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000137921175 1202226041 /nfs/dbraw/zinc/22/60/41/1202226041.db2.gz MDHYZWKYCGNKQM-SJLPKXTDSA-N 2 2 318.461 3.145 20 0 DGADLP C[C@H](O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000140243833 1202469826 /nfs/dbraw/zinc/46/98/26/1202469826.db2.gz DKFZSSJEMIRSDB-HNNXBMFYSA-N 2 2 307.397 3.215 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152541411 1202594617 /nfs/dbraw/zinc/59/46/17/1202594617.db2.gz NFPXZSJERGSKLE-CABCVRRESA-N 2 2 321.534 3.478 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152541411 1202594618 /nfs/dbraw/zinc/59/46/18/1202594618.db2.gz NFPXZSJERGSKLE-CABCVRRESA-N 2 2 321.534 3.478 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152901418 1202595495 /nfs/dbraw/zinc/59/54/95/1202595495.db2.gz OJZOYRYJXIJZLJ-RYUDHWBXSA-N 2 2 301.356 3.063 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000156828904 1202601554 /nfs/dbraw/zinc/60/15/54/1202601554.db2.gz SHLJSBOCRUTETB-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)cc2Cl)C1 ZINC000156828904 1202601555 /nfs/dbraw/zinc/60/15/55/1202601555.db2.gz SHLJSBOCRUTETB-NSHDSACASA-N 2 2 317.260 3.433 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001712961502 1202606558 /nfs/dbraw/zinc/60/65/58/1202606558.db2.gz VXUODAOMPJWUAT-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001712961502 1202606559 /nfs/dbraw/zinc/60/65/59/1202606559.db2.gz VXUODAOMPJWUAT-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](CCCF)C(C)C)c(C)[nH+]1 ZINC001713690859 1202677671 /nfs/dbraw/zinc/67/76/71/1202677671.db2.gz FBIPRWJCGFHTKR-UHFFFAOYSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](CCCF)C(C)C)c(C)[nH+]1 ZINC001713690859 1202677672 /nfs/dbraw/zinc/67/76/72/1202677672.db2.gz FBIPRWJCGFHTKR-UHFFFAOYSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1ncsc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237664229 1202688562 /nfs/dbraw/zinc/68/85/62/1202688562.db2.gz FTJRXNDBMNDXSV-UHFFFAOYSA-N 2 2 302.378 3.066 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161633305 1202696964 /nfs/dbraw/zinc/69/69/64/1202696964.db2.gz TXGOBFAPGISDTB-VDZJLULYSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161633305 1202696965 /nfs/dbraw/zinc/69/69/65/1202696965.db2.gz TXGOBFAPGISDTB-VDZJLULYSA-N 3 2 310.445 3.150 20 0 DGADLP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714255806 1202849352 /nfs/dbraw/zinc/84/93/52/1202849352.db2.gz FECLYTLMUFLBLL-HLRDLLSLSA-N 2 2 317.477 3.461 20 0 DGADLP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716028546 1203428579 /nfs/dbraw/zinc/42/85/79/1203428579.db2.gz PNDCICDPLFEORO-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP C[C@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716028546 1203428581 /nfs/dbraw/zinc/42/85/81/1203428581.db2.gz PNDCICDPLFEORO-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC000258707583 1203910110 /nfs/dbraw/zinc/91/01/10/1203910110.db2.gz FLSVWUTUYAUVRA-GFCCVEGCSA-N 2 2 315.230 3.208 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC(CC[NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC001732297399 1204782147 /nfs/dbraw/zinc/78/21/47/1204782147.db2.gz UKUWVDLMTLYALO-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP COc1ccc2cc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1 ZINC001164771309 721293976 /nfs/dbraw/zinc/29/39/76/721293976.db2.gz ZVYAKHIEHBPZHD-UHFFFAOYSA-N 2 2 323.440 3.166 20 0 DGADLP COc1ccc2cc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1 ZINC001164771309 721293982 /nfs/dbraw/zinc/29/39/82/721293982.db2.gz ZVYAKHIEHBPZHD-UHFFFAOYSA-N 2 2 323.440 3.166 20 0 DGADLP CCc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001165050443 721973216 /nfs/dbraw/zinc/97/32/16/721973216.db2.gz XTYRTPRMUWRZAD-KRWDZBQOSA-N 2 2 302.466 3.192 20 0 DGADLP [NH3+]Cc1ccn(-c2cc[nH+]c3ccc(Br)cc32)c1 ZINC001169725593 1081632719 /nfs/dbraw/zinc/63/27/19/1081632719.db2.gz HTBSKVPJPAOZCT-UHFFFAOYSA-N 2 2 302.175 3.247 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2sc(Cl)nc2Cl)CC1 ZINC001139954481 1081642775 /nfs/dbraw/zinc/64/27/75/1081642775.db2.gz CGKWXFDKZWKVJL-UHFFFAOYSA-N 2 2 308.278 3.224 20 0 DGADLP C[N@H+]1CC=C(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC001208741353 1081646391 /nfs/dbraw/zinc/64/63/91/1081646391.db2.gz HVDDUTTZKUCLBN-UHFFFAOYSA-N 2 2 318.218 3.051 20 0 DGADLP C[N@@H+]1CC=C(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC001208741353 1081646392 /nfs/dbraw/zinc/64/63/92/1081646392.db2.gz HVDDUTTZKUCLBN-UHFFFAOYSA-N 2 2 318.218 3.051 20 0 DGADLP CC[C@H](c1ccccc1)N(C)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001167127377 1081734226 /nfs/dbraw/zinc/73/42/26/1081734226.db2.gz CNPDRILEXYDWPX-GOSISDBHSA-N 2 2 310.445 3.079 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468715 1081815295 /nfs/dbraw/zinc/81/52/95/1081815295.db2.gz HSDVNRXQJFNKPQ-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468715 1081815306 /nfs/dbraw/zinc/81/53/06/1081815306.db2.gz HSDVNRXQJFNKPQ-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468715 1081815317 /nfs/dbraw/zinc/81/53/17/1081815317.db2.gz HSDVNRXQJFNKPQ-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3F)C2)C1 ZINC001204468715 1081815329 /nfs/dbraw/zinc/81/53/29/1081815329.db2.gz HSDVNRXQJFNKPQ-OAHLLOKOSA-N 2 2 316.342 3.372 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210495751 1081969799 /nfs/dbraw/zinc/96/97/99/1081969799.db2.gz BMHOBZMXVCTQTC-CYBMUJFWSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210495751 1081969804 /nfs/dbraw/zinc/96/98/04/1081969804.db2.gz BMHOBZMXVCTQTC-CYBMUJFWSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)oc1C ZINC001204532763 1082045231 /nfs/dbraw/zinc/04/52/31/1082045231.db2.gz DKJRWQDEUDYFJT-LJQANCHMSA-N 2 2 320.477 3.219 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)oc1C ZINC001204532763 1082045238 /nfs/dbraw/zinc/04/52/38/1082045238.db2.gz DKJRWQDEUDYFJT-LJQANCHMSA-N 2 2 320.477 3.219 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)oc1C ZINC001204532763 1082045243 /nfs/dbraw/zinc/04/52/43/1082045243.db2.gz DKJRWQDEUDYFJT-LJQANCHMSA-N 2 2 320.477 3.219 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)oc1C ZINC001204532763 1082045249 /nfs/dbraw/zinc/04/52/49/1082045249.db2.gz DKJRWQDEUDYFJT-LJQANCHMSA-N 2 2 320.477 3.219 20 0 DGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482513 1082556022 /nfs/dbraw/zinc/55/60/22/1082556022.db2.gz FGVDZSMSCSZIAR-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP Nc1cc(CNc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)cc[nH+]1 ZINC001167616404 1082608826 /nfs/dbraw/zinc/60/88/26/1082608826.db2.gz IAEFNQAILILGFI-UHFFFAOYSA-N 2 2 308.307 3.265 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001131562653 1082687688 /nfs/dbraw/zinc/68/76/88/1082687688.db2.gz DBUORYMGCIOLLN-HNNXBMFYSA-N 2 2 311.429 3.087 20 0 DGADLP C[C@H](Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)[C@@H]1C[NH2+]CCO1 ZINC001170571807 1082690629 /nfs/dbraw/zinc/69/06/29/1082690629.db2.gz FNCPFSKAURJROW-UGSOOPFHSA-N 2 2 322.412 3.019 20 0 DGADLP CCOC(=O)c1c(C)cc(NC(C)(C)CC[NH+](C)C)[nH+]c1C ZINC001158760759 1083027186 /nfs/dbraw/zinc/02/71/86/1083027186.db2.gz MLVVZCOGRMLTEK-UHFFFAOYSA-N 2 2 307.438 3.017 20 0 DGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918075 1083840715 /nfs/dbraw/zinc/84/07/15/1083840715.db2.gz JAUHKMRNTJBZTD-UXHICEINSA-N 2 2 316.489 3.241 20 0 DGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918075 1083840721 /nfs/dbraw/zinc/84/07/21/1083840721.db2.gz JAUHKMRNTJBZTD-UXHICEINSA-N 2 2 316.489 3.241 20 0 DGADLP CCOC(=O)[C@H](CCCC(C)C)[NH2+]CC1CC[NH+](CC)CC1 ZINC001183767995 1084015708 /nfs/dbraw/zinc/01/57/08/1084015708.db2.gz FQCZVRYKMYOXOH-KRWDZBQOSA-N 2 2 312.498 3.066 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001184364194 1084157230 /nfs/dbraw/zinc/15/72/30/1084157230.db2.gz OBRATZXFNUYATO-UHFFFAOYSA-N 2 2 311.429 3.125 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC001184364433 1084159764 /nfs/dbraw/zinc/15/97/64/1084159764.db2.gz SAMYXOYVXDIDFU-UHFFFAOYSA-N 2 2 306.413 3.348 20 0 DGADLP COc1cc(F)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205296437 1084172618 /nfs/dbraw/zinc/17/26/18/1084172618.db2.gz PFPGOAJPCTZCOW-OAHLLOKOSA-N 2 2 300.805 3.191 20 0 DGADLP COc1cc(F)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205296437 1084172621 /nfs/dbraw/zinc/17/26/21/1084172621.db2.gz PFPGOAJPCTZCOW-OAHLLOKOSA-N 2 2 300.805 3.191 20 0 DGADLP CCCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001184453022 1084187335 /nfs/dbraw/zinc/18/73/35/1084187335.db2.gz CAPKSZLWVYBXBW-MRXNPFEDSA-N 2 2 303.450 3.001 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205303815 1084222275 /nfs/dbraw/zinc/22/22/75/1084222275.db2.gz KYKJQYHYBYMOJJ-YPMHNXCESA-N 2 2 314.832 3.295 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC001205303815 1084222288 /nfs/dbraw/zinc/22/22/88/1084222288.db2.gz KYKJQYHYBYMOJJ-YPMHNXCESA-N 2 2 314.832 3.295 20 0 DGADLP C[C@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCCC1 ZINC001184965614 1084296425 /nfs/dbraw/zinc/29/64/25/1084296425.db2.gz MBUJUPDKOKPMGP-OAHLLOKOSA-N 2 2 323.444 3.416 20 0 DGADLP CCC(CC)C[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268378206 1084543035 /nfs/dbraw/zinc/54/30/35/1084543035.db2.gz HTELXOCHOJIMKD-ZDUSSCGKSA-N 2 2 316.449 3.097 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001205340172 1084556958 /nfs/dbraw/zinc/55/69/58/1084556958.db2.gz PUIAYHOLHRNZMO-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP COc1ccc2c(c1)C[N@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001205340172 1084556964 /nfs/dbraw/zinc/55/69/64/1084556964.db2.gz PUIAYHOLHRNZMO-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC001205354312 1084646071 /nfs/dbraw/zinc/64/60/71/1084646071.db2.gz YXQMQZDBEXPUJX-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001204940635 1084865221 /nfs/dbraw/zinc/86/52/21/1084865221.db2.gz ZIDDCRZBZHASRI-OAHLLOKOSA-N 2 2 322.250 3.244 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001204940635 1084865235 /nfs/dbraw/zinc/86/52/35/1084865235.db2.gz ZIDDCRZBZHASRI-OAHLLOKOSA-N 2 2 322.250 3.244 20 0 DGADLP CCCCC[NH2+]C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001270245222 1085745896 /nfs/dbraw/zinc/74/58/96/1085745896.db2.gz ZRWBFJRDYLIFGM-QGZVFWFLSA-N 2 2 317.477 3.391 20 0 DGADLP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167965724 1085856821 /nfs/dbraw/zinc/85/68/21/1085856821.db2.gz MIHRBZFLACYQHE-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167965724 1085856831 /nfs/dbraw/zinc/85/68/31/1085856831.db2.gz MIHRBZFLACYQHE-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CO2 ZINC001167969092 1085900311 /nfs/dbraw/zinc/90/03/11/1085900311.db2.gz ZZGIZUSJCLUXEM-YCXXCVGLSA-N 2 2 316.420 3.254 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CO2 ZINC001167969092 1085900316 /nfs/dbraw/zinc/90/03/16/1085900316.db2.gz ZZGIZUSJCLUXEM-YCXXCVGLSA-N 2 2 316.420 3.254 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002178 1086112921 /nfs/dbraw/zinc/11/29/21/1086112921.db2.gz PIDSAVVDRGZGEY-DFNIBXOVSA-N 3 2 307.526 3.056 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002178 1086112930 /nfs/dbraw/zinc/11/29/30/1086112930.db2.gz PIDSAVVDRGZGEY-DFNIBXOVSA-N 3 2 307.526 3.056 20 0 DGADLP CCC[NH+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002178 1086112932 /nfs/dbraw/zinc/11/29/32/1086112932.db2.gz PIDSAVVDRGZGEY-DFNIBXOVSA-N 3 2 307.526 3.056 20 0 DGADLP CCC[NH+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002178 1086112941 /nfs/dbraw/zinc/11/29/41/1086112941.db2.gz PIDSAVVDRGZGEY-DFNIBXOVSA-N 3 2 307.526 3.056 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2ccncn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015494 1086295183 /nfs/dbraw/zinc/29/51/83/1086295183.db2.gz QWKGNWGRDKHPAS-HZPDHXFCSA-N 2 2 310.445 3.008 20 0 DGADLP Cc1ncc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168016334 1086303477 /nfs/dbraw/zinc/30/34/77/1086303477.db2.gz VDCOKRLBTHOADB-HOTGVXAUSA-N 2 2 324.472 3.316 20 0 DGADLP CC(C)[NH+]1CC(NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017073 1086309138 /nfs/dbraw/zinc/30/91/38/1086309138.db2.gz WUYIHGLPNKIPPT-IRXDYDNUSA-N 2 2 315.505 3.110 20 0 DGADLP CC(C)N1CC([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168017073 1086309148 /nfs/dbraw/zinc/30/91/48/1086309148.db2.gz WUYIHGLPNKIPPT-IRXDYDNUSA-N 2 2 315.505 3.110 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001205009547 1086530741 /nfs/dbraw/zinc/53/07/41/1086530741.db2.gz WPUBEAWXROYIAB-LBPRGKRZSA-N 2 2 304.331 3.276 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001205009547 1086530746 /nfs/dbraw/zinc/53/07/46/1086530746.db2.gz WPUBEAWXROYIAB-LBPRGKRZSA-N 2 2 304.331 3.276 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCC23COC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168055931 1086621983 /nfs/dbraw/zinc/62/19/83/1086621983.db2.gz YMHIQFMKZDCCJY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCC23COC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055931 1086621989 /nfs/dbraw/zinc/62/19/89/1086621989.db2.gz YMHIQFMKZDCCJY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC23COC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055931 1086621993 /nfs/dbraw/zinc/62/19/93/1086621993.db2.gz YMHIQFMKZDCCJY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCCC23COC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055931 1086621997 /nfs/dbraw/zinc/62/19/97/1086621997.db2.gz YMHIQFMKZDCCJY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112867 1086921011 /nfs/dbraw/zinc/92/10/11/1086921011.db2.gz DZKLBDMFTWQANR-VQIMIIECSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112867 1086921014 /nfs/dbraw/zinc/92/10/14/1086921014.db2.gz DZKLBDMFTWQANR-VQIMIIECSA-N 2 2 302.462 3.150 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204692311 1086936973 /nfs/dbraw/zinc/93/69/73/1086936973.db2.gz ZDWZBKLOFNMTGR-UHFFFAOYSA-N 2 2 314.404 3.297 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204692311 1086936977 /nfs/dbraw/zinc/93/69/77/1086936977.db2.gz ZDWZBKLOFNMTGR-UHFFFAOYSA-N 2 2 314.404 3.297 20 0 DGADLP FC(F)(F)c1ncccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359665 1087337612 /nfs/dbraw/zinc/33/76/12/1087337612.db2.gz DZRZQGFBXDEEKR-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP c1nc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cs1 ZINC001137596786 1087431362 /nfs/dbraw/zinc/43/13/62/1087431362.db2.gz BTARYWOMGHJKPS-UHFFFAOYSA-N 2 2 313.470 3.241 20 0 DGADLP C(C[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168379677 1087542343 /nfs/dbraw/zinc/54/23/43/1087542343.db2.gz NVKZPLMAGCZPIL-LJQANCHMSA-N 3 2 319.537 3.201 20 0 DGADLP C(C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168379677 1087542346 /nfs/dbraw/zinc/54/23/46/1087542346.db2.gz NVKZPLMAGCZPIL-LJQANCHMSA-N 3 2 319.537 3.201 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394949 1087552003 /nfs/dbraw/zinc/55/20/03/1087552003.db2.gz ICELPSUUEQCYGS-SFHVURJKSA-N 2 2 312.457 3.066 20 0 DGADLP O=C(c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394949 1087552004 /nfs/dbraw/zinc/55/20/04/1087552004.db2.gz ICELPSUUEQCYGS-SFHVURJKSA-N 2 2 312.457 3.066 20 0 DGADLP Cc1nc2[nH]ccc2c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158265398 1087750188 /nfs/dbraw/zinc/75/01/88/1087750188.db2.gz GXSUTNBYELVZIV-PXAZEXFGSA-N 2 2 301.438 3.222 20 0 DGADLP CSc1cc[nH+]c(N2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001159031800 1088150410 /nfs/dbraw/zinc/15/04/10/1088150410.db2.gz OIRJVJGDKRCVQV-UHFFFAOYSA-N 2 2 311.454 3.402 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030519 1088159814 /nfs/dbraw/zinc/15/98/14/1088159814.db2.gz AUGKUVPSZUOEQW-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030519 1088159818 /nfs/dbraw/zinc/15/98/18/1088159818.db2.gz AUGKUVPSZUOEQW-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP [NH3+]CCOc1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001159166994 1088215833 /nfs/dbraw/zinc/21/58/33/1088215833.db2.gz FREBFOUIPQQDBH-UHFFFAOYSA-N 2 2 312.417 3.153 20 0 DGADLP Cc1ccc(C=CNc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1 ZINC001159321369 1088291109 /nfs/dbraw/zinc/29/11/09/1088291109.db2.gz LIOWQNBFVZWYLK-DHZHZOJOSA-N 2 2 308.429 3.400 20 0 DGADLP c1cc(N2CCCCC2)[nH+]cc1Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001159790865 1088484743 /nfs/dbraw/zinc/48/47/43/1088484743.db2.gz CKGVMTYYQQTPRR-UHFFFAOYSA-N 2 2 324.428 3.298 20 0 DGADLP CCCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404192 1088598723 /nfs/dbraw/zinc/59/87/23/1088598723.db2.gz WJCXAGDAPQTFPD-OAHLLOKOSA-N 2 2 305.466 3.247 20 0 DGADLP CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404192 1088598737 /nfs/dbraw/zinc/59/87/37/1088598737.db2.gz WJCXAGDAPQTFPD-OAHLLOKOSA-N 2 2 305.466 3.247 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)c1 ZINC001160116092 1088646764 /nfs/dbraw/zinc/64/67/64/1088646764.db2.gz BRIIIUAMLNAZAB-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP COc1cc[nH+]cc1Nc1ccc(OC2CC[NH2+]CC2)c(C)c1 ZINC001160226400 1088710379 /nfs/dbraw/zinc/71/03/79/1088710379.db2.gz YTDRAHIUIDGFAI-UHFFFAOYSA-N 2 2 313.401 3.273 20 0 DGADLP COc1cc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC001160234185 1088714650 /nfs/dbraw/zinc/71/46/50/1088714650.db2.gz UVWFXCJYAGYJJG-HNNXBMFYSA-N 2 2 313.401 3.273 20 0 DGADLP CCC(CC)C[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160535166 1088857909 /nfs/dbraw/zinc/85/79/09/1088857909.db2.gz WNJXNMHFQSUUHQ-QGZVFWFLSA-N 2 2 322.497 3.002 20 0 DGADLP Cc1cccc(-c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nn2)c1 ZINC001155064033 1088927102 /nfs/dbraw/zinc/92/71/02/1088927102.db2.gz LTAKEWSURDDHTC-UHFFFAOYSA-N 2 2 319.412 3.105 20 0 DGADLP Cc1c[nH]c2nc(Cl)cc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155063486 1088928463 /nfs/dbraw/zinc/92/84/63/1088928463.db2.gz DHDXABZOHNDQBP-UHFFFAOYSA-N 2 2 315.808 3.177 20 0 DGADLP CCSc1cc[nH+]c(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160743238 1088938436 /nfs/dbraw/zinc/93/84/36/1088938436.db2.gz MNAJLYXAZSLXNJ-GHMZBOCLSA-N 2 2 305.369 3.146 20 0 DGADLP Cc1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc(C(C)(C)C)[nH+]1 ZINC001160743548 1088938558 /nfs/dbraw/zinc/93/85/58/1088938558.db2.gz NJPMHJTVZROMLZ-MNOVXSKESA-N 2 2 316.371 3.035 20 0 DGADLP COc1cccc2c1c(C[NH3+])cn2-c1cc(C)[nH+]c(C(C)C)n1 ZINC001160764588 1088948703 /nfs/dbraw/zinc/94/87/03/1088948703.db2.gz ANGYUIXAJJFCQZ-UHFFFAOYSA-N 2 2 310.401 3.320 20 0 DGADLP Cc1cccc2c(C)cc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC001155622039 1089190529 /nfs/dbraw/zinc/19/05/29/1089190529.db2.gz XXOKQCWVTACJGP-KXBFYZLASA-N 2 2 311.429 3.175 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](CC[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001484533302 1089469988 /nfs/dbraw/zinc/46/99/88/1089469988.db2.gz UDMRIGQMHFLEJU-QGZVFWFLSA-N 2 2 317.477 3.105 20 0 DGADLP COCCC1([NH3+])CCN(c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001162041908 1089536716 /nfs/dbraw/zinc/53/67/16/1089536716.db2.gz SHGZIXLCAUAFTC-UHFFFAOYSA-N 2 2 319.836 3.222 20 0 DGADLP COc1cc2cc[nH+]c(N[C@@]3(C)CCC[N@H+](C)C3)c2cc1OC ZINC001162337110 1089677238 /nfs/dbraw/zinc/67/72/38/1089677238.db2.gz LJDSCXQVDBECSD-SFHVURJKSA-N 2 2 315.417 3.148 20 0 DGADLP COc1cc2cc[nH+]c(N[C@@]3(C)CCC[N@@H+](C)C3)c2cc1OC ZINC001162337110 1089677248 /nfs/dbraw/zinc/67/72/48/1089677248.db2.gz LJDSCXQVDBECSD-SFHVURJKSA-N 2 2 315.417 3.148 20 0 DGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162469212 1089749259 /nfs/dbraw/zinc/74/92/59/1089749259.db2.gz AANPWRCYYNEGBQ-UONOGXRCSA-N 2 2 302.397 3.059 20 0 DGADLP CN(c1[nH+]c(N2CCCC2)cc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001156977134 1089774032 /nfs/dbraw/zinc/77/40/32/1089774032.db2.gz PXVDIKNKMGHTLL-FQEVSTJZSA-N 2 2 324.472 3.413 20 0 DGADLP CCCN(CCC)c1cc(N2CC[C@@H]([N@H+](C)C(C)C)C2)nc[nH+]1 ZINC001157021032 1089788645 /nfs/dbraw/zinc/78/86/45/1089788645.db2.gz LMLBJVUEJFUICN-MRXNPFEDSA-N 2 2 319.497 3.022 20 0 DGADLP CCCN(CCC)c1cc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)nc[nH+]1 ZINC001157021032 1089788655 /nfs/dbraw/zinc/78/86/55/1089788655.db2.gz LMLBJVUEJFUICN-MRXNPFEDSA-N 2 2 319.497 3.022 20 0 DGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc2ccccc2n2c[nH+]cc12 ZINC001162631325 1089843364 /nfs/dbraw/zinc/84/33/64/1089843364.db2.gz DODJZGSWBHEQOC-HNNXBMFYSA-N 2 2 323.444 3.193 20 0 DGADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1nc2ccccc2n2c[nH+]cc12 ZINC001162631325 1089843383 /nfs/dbraw/zinc/84/33/83/1089843383.db2.gz DODJZGSWBHEQOC-HNNXBMFYSA-N 2 2 323.444 3.193 20 0 DGADLP C[C@@H]([NH3+])c1nc2ccccc2n1-c1cccc(-c2c[nH+]cn2C)c1 ZINC001162776995 1089948779 /nfs/dbraw/zinc/94/87/79/1089948779.db2.gz IFTMSRXLBFFNIK-CYBMUJFWSA-N 2 2 317.396 3.446 20 0 DGADLP CCc1nc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC001157433394 1089965392 /nfs/dbraw/zinc/96/53/92/1089965392.db2.gz LSMKXQHTYVGTJH-QGZVFWFLSA-N 2 2 310.445 3.106 20 0 DGADLP Cc1nc(N[C@H](C[NH+]2CCOCC2)C(C)(C)C)cc(C(C)C)[nH+]1 ZINC001162877282 1090003139 /nfs/dbraw/zinc/00/31/39/1090003139.db2.gz AADACYDZOLEOIA-MRXNPFEDSA-N 2 2 320.481 3.067 20 0 DGADLP CCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001485175424 1090013172 /nfs/dbraw/zinc/01/31/72/1090013172.db2.gz QRXZMHPMWIIWSG-HUUCEWRRSA-N 2 2 305.466 3.293 20 0 DGADLP COc1cc(Nc2ccc([C@@H](C[NH3+])CO)cc2)[nH+]c2ccccc21 ZINC001163052087 1090063038 /nfs/dbraw/zinc/06/30/38/1090063038.db2.gz FRSWFQDKRXGUHJ-AWEZNQCLSA-N 2 2 323.396 3.022 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163212090 1090117055 /nfs/dbraw/zinc/11/70/55/1090117055.db2.gz UJKYFKRUAORWAY-CVEARBPZSA-N 2 2 324.428 3.186 20 0 DGADLP Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC001163278771 1090137870 /nfs/dbraw/zinc/13/78/70/1090137870.db2.gz UTBNMTWKPBYEHP-UHFFFAOYSA-N 2 2 322.456 3.373 20 0 DGADLP Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC001163278771 1090137873 /nfs/dbraw/zinc/13/78/73/1090137873.db2.gz UTBNMTWKPBYEHP-UHFFFAOYSA-N 2 2 322.456 3.373 20 0 DGADLP C[NH+](C)CC(C)(C)CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001157949159 1090156648 /nfs/dbraw/zinc/15/66/48/1090156648.db2.gz ZNNYCCDKBUHECE-UHFFFAOYSA-N 2 2 315.396 3.250 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc1NC(C)C ZINC001163358582 1090162506 /nfs/dbraw/zinc/16/25/06/1090162506.db2.gz UYLQTPZFLVJZTL-GJZGRUSLSA-N 2 2 305.470 3.136 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1NC(C)C ZINC001163358582 1090162508 /nfs/dbraw/zinc/16/25/08/1090162508.db2.gz UYLQTPZFLVJZTL-GJZGRUSLSA-N 2 2 305.470 3.136 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@@H+](C(C)C)C[C@H]3C)c2c1C ZINC001163366160 1090165602 /nfs/dbraw/zinc/16/56/02/1090165602.db2.gz RZXFVABVNBCTJG-RISCZKNCSA-N 2 2 301.438 3.105 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@H+](C(C)C)C[C@H]3C)c2c1C ZINC001163366160 1090165606 /nfs/dbraw/zinc/16/56/06/1090165606.db2.gz RZXFVABVNBCTJG-RISCZKNCSA-N 2 2 301.438 3.105 20 0 DGADLP Cc1c[nH+]ccc1N1CCN(c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001158110724 1090184476 /nfs/dbraw/zinc/18/44/76/1090184476.db2.gz RRLGGAJBLWXSRU-UHFFFAOYSA-N 2 2 310.445 3.409 20 0 DGADLP C[NH+](C)Cc1cccc(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001163994047 1090310798 /nfs/dbraw/zinc/31/07/98/1090310798.db2.gz CBQUCLGMGJNFJA-UHFFFAOYSA-N 2 2 310.445 3.356 20 0 DGADLP Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001165083634 1090461779 /nfs/dbraw/zinc/46/17/79/1090461779.db2.gz YQUFSWAGTJZGOH-RTBURBONSA-N 2 2 322.456 3.113 20 0 DGADLP Cc1nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001165083634 1090461783 /nfs/dbraw/zinc/46/17/83/1090461783.db2.gz YQUFSWAGTJZGOH-RTBURBONSA-N 2 2 322.456 3.113 20 0 DGADLP CCc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc(C)[nH+]1 ZINC001165091305 1090464202 /nfs/dbraw/zinc/46/42/02/1090464202.db2.gz ZQBGCTUKXUEXPX-QZTJIDSGSA-N 2 2 322.456 3.058 20 0 DGADLP CCc1nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc(C)[nH+]1 ZINC001165091305 1090464211 /nfs/dbraw/zinc/46/42/11/1090464211.db2.gz ZQBGCTUKXUEXPX-QZTJIDSGSA-N 2 2 322.456 3.058 20 0 DGADLP C[NH+](C)C[C@]12C[C@H]1CN(c1[nH+]ccc3cc(Cl)ccc31)C2 ZINC001165183284 1090475543 /nfs/dbraw/zinc/47/55/43/1090475543.db2.gz HFJVYZXNBWPPBB-GUYCJALGSA-N 2 2 301.821 3.276 20 0 DGADLP CCCc1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001165323155 1090503703 /nfs/dbraw/zinc/50/37/03/1090503703.db2.gz JOQMBMOGAZKDJC-QGZVFWFLSA-N 2 2 302.466 3.096 20 0 DGADLP Cc1[nH+]c2c(n1-c1ccc3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC001165352648 1090510071 /nfs/dbraw/zinc/51/00/71/1090510071.db2.gz ZDGMOWDHTMBVRO-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP COc1cccc2cc(C[NH2+]Cc3c[nH+]ccc3N(C)C)oc21 ZINC001649054765 1090579984 /nfs/dbraw/zinc/57/99/84/1090579984.db2.gz IZCLRTJZHREISP-UHFFFAOYSA-N 2 2 311.385 3.192 20 0 DGADLP COc1ccc(C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000048782468 1090619656 /nfs/dbraw/zinc/61/96/56/1090619656.db2.gz GTSCGXSQWIPGLN-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001203348919 1090724375 /nfs/dbraw/zinc/72/43/75/1090724375.db2.gz XIKHAPYNTKGKMT-HZPDHXFCSA-N 2 2 316.445 3.451 20 0 DGADLP CC(C)C[C@H](C(=O)N(CC[N@H+](C)C(C)C)C(C)C)n1cc[nH+]c1 ZINC001486368813 1090811268 /nfs/dbraw/zinc/81/12/68/1090811268.db2.gz CRBRTVRSCPADAU-QGZVFWFLSA-N 2 2 322.497 3.048 20 0 DGADLP CC(C)C[C@H](C(=O)N(CC[N@@H+](C)C(C)C)C(C)C)n1cc[nH+]c1 ZINC001486368813 1090811270 /nfs/dbraw/zinc/81/12/70/1090811270.db2.gz CRBRTVRSCPADAU-QGZVFWFLSA-N 2 2 322.497 3.048 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(O)c4)C[C@H]3C2)cc1 ZINC001203861257 1090821702 /nfs/dbraw/zinc/82/17/02/1090821702.db2.gz UBNPTMDCEQYTGX-WOJBJXKFSA-N 2 2 322.452 3.264 20 0 DGADLP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061817 1090887675 /nfs/dbraw/zinc/88/76/75/1090887675.db2.gz AHWFZHISKLXYFQ-RTBURBONSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061817 1090887680 /nfs/dbraw/zinc/88/76/80/1090887680.db2.gz AHWFZHISKLXYFQ-RTBURBONSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061817 1090887685 /nfs/dbraw/zinc/88/76/85/1090887685.db2.gz AHWFZHISKLXYFQ-RTBURBONSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061817 1090887691 /nfs/dbraw/zinc/88/76/91/1090887691.db2.gz AHWFZHISKLXYFQ-RTBURBONSA-N 2 2 307.441 3.036 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3OCc4ccccc43)cc2)c[nH+]1 ZINC001204063931 1090889024 /nfs/dbraw/zinc/88/90/24/1090889024.db2.gz OLEMBTSBFYLNEJ-IBGZPJMESA-N 2 2 305.381 3.233 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)n1 ZINC001204067257 1090890673 /nfs/dbraw/zinc/89/06/73/1090890673.db2.gz QQQFURQQOXQTTN-HZPDHXFCSA-N 2 2 313.470 3.015 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204175766 1090914018 /nfs/dbraw/zinc/91/40/18/1090914018.db2.gz JLXOKYHIARKYNM-WOJBJXKFSA-N 2 2 321.468 3.208 20 0 DGADLP CCOc1cc(C[N@H+](CC)C2CC[NH+](C)CC2)ccc1OC ZINC001204187008 1090916024 /nfs/dbraw/zinc/91/60/24/1090916024.db2.gz LXDGOUXTGBBFHF-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1cc(C[N@@H+](CC)C2CC[NH+](C)CC2)ccc1OC ZINC001204187008 1090916028 /nfs/dbraw/zinc/91/60/28/1090916028.db2.gz LXDGOUXTGBBFHF-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP Clc1cccc2c1C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001168739851 1091034343 /nfs/dbraw/zinc/03/43/43/1091034343.db2.gz REKWMTQUCNKOLS-UONOGXRCSA-N 2 2 301.821 3.343 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001205009530 1091083132 /nfs/dbraw/zinc/08/31/32/1091083132.db2.gz WBOFAASHVKXUHY-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2C)C1 ZINC001205009530 1091083137 /nfs/dbraw/zinc/08/31/37/1091083137.db2.gz WBOFAASHVKXUHY-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([NH3+])CC3)cs2)cc1 ZINC001205124276 1091107833 /nfs/dbraw/zinc/10/78/33/1091107833.db2.gz NFGFVVJMMBDGHJ-AWEZNQCLSA-N 2 2 317.458 3.132 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([NH3+])CC3)cs2)cc1 ZINC001205124276 1091107836 /nfs/dbraw/zinc/10/78/36/1091107836.db2.gz NFGFVVJMMBDGHJ-AWEZNQCLSA-N 2 2 317.458 3.132 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303192 1091173276 /nfs/dbraw/zinc/17/32/76/1091173276.db2.gz AUJUKYFXCRBJQV-GHMZBOCLSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303192 1091173282 /nfs/dbraw/zinc/17/32/82/1091173282.db2.gz AUJUKYFXCRBJQV-GHMZBOCLSA-N 2 2 304.331 3.261 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303805 1091174689 /nfs/dbraw/zinc/17/46/89/1091174689.db2.gz KSURYKCAHVUGFH-DGCLKSJQSA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303805 1091174692 /nfs/dbraw/zinc/17/46/92/1091174692.db2.gz KSURYKCAHVUGFH-DGCLKSJQSA-N 2 2 316.367 3.131 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1[nH]c2ccc(F)cc2c1C ZINC001138415019 1091174888 /nfs/dbraw/zinc/17/48/88/1091174888.db2.gz VHMDZFLYVXYQRL-UHFFFAOYSA-N 2 2 300.381 3.334 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1[nH]c2ccc(F)cc2c1C ZINC001138415019 1091174891 /nfs/dbraw/zinc/17/48/91/1091174891.db2.gz VHMDZFLYVXYQRL-UHFFFAOYSA-N 2 2 300.381 3.334 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303804 1091175138 /nfs/dbraw/zinc/17/51/38/1091175138.db2.gz KSURYKCAHVUGFH-AAEUAGOBSA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303804 1091175142 /nfs/dbraw/zinc/17/51/42/1091175142.db2.gz KSURYKCAHVUGFH-AAEUAGOBSA-N 2 2 316.367 3.131 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2C1 ZINC001138414918 1091175426 /nfs/dbraw/zinc/17/54/26/1091175426.db2.gz SKUFWLFKMSFEMS-GASCZTMLSA-N 2 2 315.436 3.389 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2C1 ZINC001138414918 1091175428 /nfs/dbraw/zinc/17/54/28/1091175428.db2.gz SKUFWLFKMSFEMS-GASCZTMLSA-N 2 2 315.436 3.389 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2C1 ZINC001138414918 1091175430 /nfs/dbraw/zinc/17/54/30/1091175430.db2.gz SKUFWLFKMSFEMS-GASCZTMLSA-N 2 2 315.436 3.389 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2C1 ZINC001138414918 1091175433 /nfs/dbraw/zinc/17/54/33/1091175433.db2.gz SKUFWLFKMSFEMS-GASCZTMLSA-N 2 2 315.436 3.389 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3ccncc3C2)cc1 ZINC001138547040 1091226004 /nfs/dbraw/zinc/22/60/04/1091226004.db2.gz CBCBQLDQWTUBLV-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3ccncc3C2)cc1 ZINC001138547040 1091226012 /nfs/dbraw/zinc/22/60/12/1091226012.db2.gz CBCBQLDQWTUBLV-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc1 ZINC001138548246 1091226572 /nfs/dbraw/zinc/22/65/72/1091226572.db2.gz BPLHTVLFIBSLKX-OAHLLOKOSA-N 2 2 317.433 3.210 20 0 DGADLP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)c2c(n1)CCCC2 ZINC001205536237 1091244619 /nfs/dbraw/zinc/24/46/19/1091244619.db2.gz YBZANIRDDPRZII-UHFFFAOYSA-N 2 2 301.478 3.187 20 0 DGADLP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c2c(n1)CCCC2 ZINC001205536237 1091244622 /nfs/dbraw/zinc/24/46/22/1091244622.db2.gz YBZANIRDDPRZII-UHFFFAOYSA-N 2 2 301.478 3.187 20 0 DGADLP CC(C)[N@H+](Cc1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001138603888 1091248727 /nfs/dbraw/zinc/24/87/27/1091248727.db2.gz SHEJJRZHWZGCTO-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[N@@H+](Cc1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001138603888 1091248731 /nfs/dbraw/zinc/24/87/31/1091248731.db2.gz SHEJJRZHWZGCTO-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(Cl)[nH]c4ccccc43)C[C@H]2C1 ZINC001138689254 1091288808 /nfs/dbraw/zinc/28/88/08/1091288808.db2.gz POJQDKGRHSEHJL-CHWSQXEVSA-N 2 2 303.837 3.205 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138718210 1091298187 /nfs/dbraw/zinc/29/81/87/1091298187.db2.gz FPJQDOWCAGJPRF-UHFFFAOYSA-N 2 2 300.446 3.070 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138718210 1091298196 /nfs/dbraw/zinc/29/81/96/1091298196.db2.gz FPJQDOWCAGJPRF-UHFFFAOYSA-N 2 2 300.446 3.070 20 0 DGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)s1 ZINC001138756449 1091319645 /nfs/dbraw/zinc/31/96/45/1091319645.db2.gz UWPCXUXZQYYYOS-MAUKXSAKSA-N 2 2 322.518 3.243 20 0 DGADLP CCCCc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)s1 ZINC001138756449 1091319655 /nfs/dbraw/zinc/31/96/55/1091319655.db2.gz UWPCXUXZQYYYOS-MAUKXSAKSA-N 2 2 322.518 3.243 20 0 DGADLP CCCCc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)s1 ZINC001138756449 1091319669 /nfs/dbraw/zinc/31/96/69/1091319669.db2.gz UWPCXUXZQYYYOS-MAUKXSAKSA-N 2 2 322.518 3.243 20 0 DGADLP CCCCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)s1 ZINC001138756449 1091319677 /nfs/dbraw/zinc/31/96/77/1091319677.db2.gz UWPCXUXZQYYYOS-MAUKXSAKSA-N 2 2 322.518 3.243 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3ccnn32)CC1 ZINC001138810456 1091338414 /nfs/dbraw/zinc/33/84/14/1091338414.db2.gz VEPMLGRYZMUIOF-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3ccnn32)CC1 ZINC001138810456 1091338422 /nfs/dbraw/zinc/33/84/22/1091338422.db2.gz VEPMLGRYZMUIOF-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205788888 1091348592 /nfs/dbraw/zinc/34/85/92/1091348592.db2.gz STBFPYPIMWOZIR-AWEZNQCLSA-N 2 2 312.404 3.280 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205788888 1091348603 /nfs/dbraw/zinc/34/86/03/1091348603.db2.gz STBFPYPIMWOZIR-AWEZNQCLSA-N 2 2 312.404 3.280 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806575 1091357993 /nfs/dbraw/zinc/35/79/93/1091357993.db2.gz ULEPRMGVJKHIBV-DGCLKSJQSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806575 1091358002 /nfs/dbraw/zinc/35/80/02/1091358002.db2.gz ULEPRMGVJKHIBV-DGCLKSJQSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806574 1091358149 /nfs/dbraw/zinc/35/81/49/1091358149.db2.gz ULEPRMGVJKHIBV-AAEUAGOBSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806574 1091358160 /nfs/dbraw/zinc/35/81/60/1091358160.db2.gz ULEPRMGVJKHIBV-AAEUAGOBSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830021 1091371042 /nfs/dbraw/zinc/37/10/42/1091371042.db2.gz QSBIJCXGRDEXBH-KBPBESRZSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830021 1091371054 /nfs/dbraw/zinc/37/10/54/1091371054.db2.gz QSBIJCXGRDEXBH-KBPBESRZSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842740 1091374749 /nfs/dbraw/zinc/37/47/49/1091374749.db2.gz OSJPRIJCRYVNCD-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842740 1091374762 /nfs/dbraw/zinc/37/47/62/1091374762.db2.gz OSJPRIJCRYVNCD-KSSFIOAISA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001205843354 1091376200 /nfs/dbraw/zinc/37/62/00/1091376200.db2.gz RPFXTWVPEQGGSH-BBRMVZONSA-N 2 2 318.852 3.085 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845337 1091377585 /nfs/dbraw/zinc/37/75/85/1091377585.db2.gz ZPZYIRDKZCYOQB-UKRRQHHQSA-N 2 2 301.409 3.380 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845337 1091377602 /nfs/dbraw/zinc/37/76/02/1091377602.db2.gz ZPZYIRDKZCYOQB-UKRRQHHQSA-N 2 2 301.409 3.380 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Br ZINC001205901035 1091399734 /nfs/dbraw/zinc/39/97/34/1091399734.db2.gz ASKDYBMROABIEZ-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Br ZINC001205901035 1091399747 /nfs/dbraw/zinc/39/97/47/1091399747.db2.gz ASKDYBMROABIEZ-QWRGUYRKSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901162 1091400317 /nfs/dbraw/zinc/40/03/17/1091400317.db2.gz BKGQOADRJLWGOO-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901162 1091400320 /nfs/dbraw/zinc/40/03/20/1091400320.db2.gz BKGQOADRJLWGOO-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP CC(C)[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC001139016317 1091419336 /nfs/dbraw/zinc/41/93/36/1091419336.db2.gz OGRLTTQQOKXMFA-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC001139016317 1091419340 /nfs/dbraw/zinc/41/93/40/1091419340.db2.gz OGRLTTQQOKXMFA-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139061351 1091432353 /nfs/dbraw/zinc/43/23/53/1091432353.db2.gz BHRSNMNMGNDUIP-SJORKVTESA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139061351 1091432360 /nfs/dbraw/zinc/43/23/60/1091432360.db2.gz BHRSNMNMGNDUIP-SJORKVTESA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C[C@H]1[NH3+] ZINC001206075446 1091479928 /nfs/dbraw/zinc/47/99/28/1091479928.db2.gz MRNIYPUZMIIUAF-MLGOLLRUSA-N 2 2 301.821 3.181 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C[C@H]1[NH3+] ZINC001206075446 1091479931 /nfs/dbraw/zinc/47/99/31/1091479931.db2.gz MRNIYPUZMIIUAF-MLGOLLRUSA-N 2 2 301.821 3.181 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@@H]1F ZINC001206172505 1091520771 /nfs/dbraw/zinc/52/07/71/1091520771.db2.gz ABUBEPHETZBGBD-IRXDYDNUSA-N 2 2 315.392 3.135 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@@H]1F ZINC001206172505 1091520781 /nfs/dbraw/zinc/52/07/81/1091520781.db2.gz ABUBEPHETZBGBD-IRXDYDNUSA-N 2 2 315.392 3.135 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@H]1F ZINC001206211303 1091537528 /nfs/dbraw/zinc/53/75/28/1091537528.db2.gz NDVRCKAVONPKGI-SJORKVTESA-N 2 2 317.383 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)CC[C@H]1F ZINC001206211303 1091537533 /nfs/dbraw/zinc/53/75/33/1091537533.db2.gz NDVRCKAVONPKGI-SJORKVTESA-N 2 2 317.383 3.149 20 0 DGADLP COc1cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206269398 1091557964 /nfs/dbraw/zinc/55/79/64/1091557964.db2.gz LSDRHVQPVYXTCN-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP COc1cc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001206269398 1091557971 /nfs/dbraw/zinc/55/79/71/1091557971.db2.gz LSDRHVQPVYXTCN-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP c1cn2c([nH+]1)CC[N@H+](Cc1ccc(-c3ccccc3)nc1)CC2 ZINC001139518750 1091583378 /nfs/dbraw/zinc/58/33/78/1091583378.db2.gz IFHYUFUTLUXNSH-UHFFFAOYSA-N 2 2 304.397 3.003 20 0 DGADLP c1cn2c([nH+]1)CC[N@@H+](Cc1ccc(-c3ccccc3)nc1)CC2 ZINC001139518750 1091583383 /nfs/dbraw/zinc/58/33/83/1091583383.db2.gz IFHYUFUTLUXNSH-UHFFFAOYSA-N 2 2 304.397 3.003 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001206369234 1091601486 /nfs/dbraw/zinc/60/14/86/1091601486.db2.gz ABZCRXPKQRWLHY-KRWDZBQOSA-N 2 2 305.372 3.027 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001206369234 1091601492 /nfs/dbraw/zinc/60/14/92/1091601492.db2.gz ABZCRXPKQRWLHY-KRWDZBQOSA-N 2 2 305.372 3.027 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001206369327 1091601569 /nfs/dbraw/zinc/60/15/69/1091601569.db2.gz BYUNGJUFMHPLCW-LJQANCHMSA-N 2 2 313.420 3.402 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001206369327 1091601570 /nfs/dbraw/zinc/60/15/70/1091601570.db2.gz BYUNGJUFMHPLCW-LJQANCHMSA-N 2 2 313.420 3.402 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001206550225 1091665828 /nfs/dbraw/zinc/66/58/28/1091665828.db2.gz XWCSDXYSXABZNK-INIZCTEOSA-N 2 2 310.825 3.020 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001206550225 1091665829 /nfs/dbraw/zinc/66/58/29/1091665829.db2.gz XWCSDXYSXABZNK-INIZCTEOSA-N 2 2 310.825 3.020 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555347 1091667584 /nfs/dbraw/zinc/66/75/84/1091667584.db2.gz JIZAFHLSYDQQBR-LJQANCHMSA-N 3 2 312.461 3.132 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555347 1091667591 /nfs/dbraw/zinc/66/75/91/1091667591.db2.gz JIZAFHLSYDQQBR-LJQANCHMSA-N 3 2 312.461 3.132 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001206617007 1091692090 /nfs/dbraw/zinc/69/20/90/1091692090.db2.gz XNWHKOZKFPNNCL-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001206617007 1091692094 /nfs/dbraw/zinc/69/20/94/1091692094.db2.gz XNWHKOZKFPNNCL-LLVKDONJSA-N 2 2 304.331 3.405 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3C)C[C@H]2C1 ZINC001139888861 1091706125 /nfs/dbraw/zinc/70/61/25/1091706125.db2.gz NHBLJCODFXDECJ-HUUCEWRRSA-N 2 2 312.379 3.397 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206769724 1091732437 /nfs/dbraw/zinc/73/24/37/1091732437.db2.gz PTABZNZAJMKKAJ-NWDGAFQWSA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206769724 1091732445 /nfs/dbraw/zinc/73/24/45/1091732445.db2.gz PTABZNZAJMKKAJ-NWDGAFQWSA-N 2 2 316.367 3.273 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(C)C)c(C)[nH+]1 ZINC001085279791 1091732695 /nfs/dbraw/zinc/73/26/95/1091732695.db2.gz FCWPWQVGYKOIHV-IAGOWNOFSA-N 2 2 317.477 3.293 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001140021884 1091740903 /nfs/dbraw/zinc/74/09/03/1091740903.db2.gz SFVTUBRLTBEPFL-IBGZPJMESA-N 2 2 311.429 3.326 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001140021884 1091740907 /nfs/dbraw/zinc/74/09/07/1091740907.db2.gz SFVTUBRLTBEPFL-IBGZPJMESA-N 2 2 311.429 3.326 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001140023843 1091742776 /nfs/dbraw/zinc/74/27/76/1091742776.db2.gz ZXZWZYRSDHZDAU-UHFFFAOYSA-N 2 2 303.356 3.412 20 0 DGADLP C[C@H]1CN(Cc2[nH+]cc3ccccn32)CC[N@@H+]1Cc1ccccc1 ZINC001207058008 1091831912 /nfs/dbraw/zinc/83/19/12/1091831912.db2.gz UVWVFNHBTUSMMS-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1CN(Cc2[nH+]cc3ccccn32)CC[N@H+]1Cc1ccccc1 ZINC001207058008 1091831918 /nfs/dbraw/zinc/83/19/18/1091831918.db2.gz UVWVFNHBTUSMMS-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381599 1091843228 /nfs/dbraw/zinc/84/32/28/1091843228.db2.gz FRMOEWGUEJUXBP-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381599 1091843230 /nfs/dbraw/zinc/84/32/30/1091843230.db2.gz FRMOEWGUEJUXBP-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381599 1091843235 /nfs/dbraw/zinc/84/32/35/1091843235.db2.gz FRMOEWGUEJUXBP-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)C[C@H]21 ZINC001140381599 1091843239 /nfs/dbraw/zinc/84/32/39/1091843239.db2.gz FRMOEWGUEJUXBP-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP Cc1ccc(Cl)nc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001140447981 1091869719 /nfs/dbraw/zinc/86/97/19/1091869719.db2.gz CNBRFPBWNHKUJP-AWEZNQCLSA-N 2 2 317.820 3.400 20 0 DGADLP Cc1ccc(Cl)nc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001140447981 1091869729 /nfs/dbraw/zinc/86/97/29/1091869729.db2.gz CNBRFPBWNHKUJP-AWEZNQCLSA-N 2 2 317.820 3.400 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001276513660 1091876817 /nfs/dbraw/zinc/87/68/17/1091876817.db2.gz PDNBPZHGUTXSHR-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001276513660 1091876824 /nfs/dbraw/zinc/87/68/24/1091876824.db2.gz PDNBPZHGUTXSHR-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001276513660 1091876829 /nfs/dbraw/zinc/87/68/29/1091876829.db2.gz PDNBPZHGUTXSHR-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC001276513660 1091876836 /nfs/dbraw/zinc/87/68/36/1091876836.db2.gz PDNBPZHGUTXSHR-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207181420 1091879679 /nfs/dbraw/zinc/87/96/79/1091879679.db2.gz OXESSCOMSPJWRC-WMLDXEAASA-N 2 2 301.821 3.464 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001207181420 1091879684 /nfs/dbraw/zinc/87/96/84/1091879684.db2.gz OXESSCOMSPJWRC-WMLDXEAASA-N 2 2 301.821 3.464 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001140482117 1091881560 /nfs/dbraw/zinc/88/15/60/1091881560.db2.gz QCUHZSQWGSBYDM-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001140482117 1091881571 /nfs/dbraw/zinc/88/15/71/1091881571.db2.gz QCUHZSQWGSBYDM-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP c1cn(Cc2noc3c2C[N@H+](CCC2CCCCC2)CC3)c[nH+]1 ZINC001207257242 1091901491 /nfs/dbraw/zinc/90/14/91/1091901491.db2.gz SDCKKDRRRHURJN-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP c1cn(Cc2noc3c2C[N@@H+](CCC2CCCCC2)CC3)c[nH+]1 ZINC001207257242 1091901501 /nfs/dbraw/zinc/90/15/01/1091901501.db2.gz SDCKKDRRRHURJN-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140635409 1091938313 /nfs/dbraw/zinc/93/83/13/1091938313.db2.gz DLVAVVBCNHHLNH-WMLDXEAASA-N 2 2 316.470 3.054 20 0 DGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140635409 1091938318 /nfs/dbraw/zinc/93/83/18/1091938318.db2.gz DLVAVVBCNHHLNH-WMLDXEAASA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140635409 1091938321 /nfs/dbraw/zinc/93/83/21/1091938321.db2.gz DLVAVVBCNHHLNH-WMLDXEAASA-N 2 2 316.470 3.054 20 0 DGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140635409 1091938326 /nfs/dbraw/zinc/93/83/26/1091938326.db2.gz DLVAVVBCNHHLNH-WMLDXEAASA-N 2 2 316.470 3.054 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716293081 1091949694 /nfs/dbraw/zinc/94/96/94/1091949694.db2.gz VVQVTVSYOSXHOL-INIZCTEOSA-N 2 2 312.432 3.478 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001140802268 1092006776 /nfs/dbraw/zinc/00/67/76/1092006776.db2.gz SSISLBAZOGDEIQ-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805065 1092009864 /nfs/dbraw/zinc/00/98/64/1092009864.db2.gz QBEDYFSPUWBDOS-CQSZACIVSA-N 2 2 315.417 3.259 20 0 DGADLP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805065 1092009872 /nfs/dbraw/zinc/00/98/72/1092009872.db2.gz QBEDYFSPUWBDOS-CQSZACIVSA-N 2 2 315.417 3.259 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC001140803516 1092010405 /nfs/dbraw/zinc/01/04/05/1092010405.db2.gz RFGNXSDFGZPTFX-UHFFFAOYSA-N 2 2 320.440 3.271 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001140803516 1092010413 /nfs/dbraw/zinc/01/04/13/1092010413.db2.gz RFGNXSDFGZPTFX-UHFFFAOYSA-N 2 2 320.440 3.271 20 0 DGADLP CC(C)(C)OC(=O)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807141 1092014020 /nfs/dbraw/zinc/01/40/20/1092014020.db2.gz NYTYIMGJFGQMLV-UHFFFAOYSA-N 2 2 315.417 3.117 20 0 DGADLP c1ncc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140934020 1092068477 /nfs/dbraw/zinc/06/84/77/1092068477.db2.gz QACPJQRKXUSEPG-QFHJOOASSA-N 2 2 313.445 3.070 20 0 DGADLP c1ncc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140934020 1092068484 /nfs/dbraw/zinc/06/84/84/1092068484.db2.gz QACPJQRKXUSEPG-QFHJOOASSA-N 2 2 313.445 3.070 20 0 DGADLP c1ncc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140934020 1092068492 /nfs/dbraw/zinc/06/84/92/1092068492.db2.gz QACPJQRKXUSEPG-QFHJOOASSA-N 2 2 313.445 3.070 20 0 DGADLP c1ncc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140934020 1092068500 /nfs/dbraw/zinc/06/85/00/1092068500.db2.gz QACPJQRKXUSEPG-QFHJOOASSA-N 2 2 313.445 3.070 20 0 DGADLP CCc1ccc2c(c1)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC001207862096 1092123043 /nfs/dbraw/zinc/12/30/43/1092123043.db2.gz RFWJCUMACAWUTO-UHFFFAOYSA-N 2 2 318.424 3.388 20 0 DGADLP CCc1ccc2c(c1)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC001207862096 1092123048 /nfs/dbraw/zinc/12/30/48/1092123048.db2.gz RFWJCUMACAWUTO-UHFFFAOYSA-N 2 2 318.424 3.388 20 0 DGADLP CCCCc1[nH]cc(CN2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC001141069964 1092125369 /nfs/dbraw/zinc/12/53/69/1092125369.db2.gz JXOSFSSMIYIFLZ-UHFFFAOYSA-N 2 2 304.482 3.060 20 0 DGADLP CCCCc1[nH]c(CN2CC[NH+](CC3CCCC3)CC2)c[nH+]1 ZINC001141069964 1092125376 /nfs/dbraw/zinc/12/53/76/1092125376.db2.gz JXOSFSSMIYIFLZ-UHFFFAOYSA-N 2 2 304.482 3.060 20 0 DGADLP CCCCc1[nH]c(CN2CCC([NH+]3CCCCC3)CC2)c[nH+]1 ZINC001141066858 1092125669 /nfs/dbraw/zinc/12/56/69/1092125669.db2.gz MWZLFMIMVBAKIH-UHFFFAOYSA-N 2 2 304.482 3.203 20 0 DGADLP CC[N@H+](Cc1ccnc2ccc(OC)cc12)C1CC[NH+](C)CC1 ZINC001141148906 1092152161 /nfs/dbraw/zinc/15/21/61/1092152161.db2.gz ADCBQRNTZQLIRX-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[N@@H+](Cc1ccnc2ccc(OC)cc12)C1CC[NH+](C)CC1 ZINC001141148906 1092152169 /nfs/dbraw/zinc/15/21/69/1092152169.db2.gz ADCBQRNTZQLIRX-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP COCC[N@H+](Cc1ccc(Cl)cc1C)C1CC[NH+](C)CC1 ZINC001141231344 1092186757 /nfs/dbraw/zinc/18/67/57/1092186757.db2.gz KILHZKYIRQNRBB-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP COCC[N@@H+](Cc1ccc(Cl)cc1C)C1CC[NH+](C)CC1 ZINC001141231344 1092186762 /nfs/dbraw/zinc/18/67/62/1092186762.db2.gz KILHZKYIRQNRBB-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(-n3ccnc3)c2)CC1 ZINC001141241808 1092190201 /nfs/dbraw/zinc/19/02/01/1092190201.db2.gz LFVWZEVZKAIWGJ-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC001208119014 1092205957 /nfs/dbraw/zinc/20/59/57/1092205957.db2.gz UXYWHPAPSCTFKI-AWEZNQCLSA-N 2 2 318.367 3.364 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001208119014 1092205971 /nfs/dbraw/zinc/20/59/71/1092205971.db2.gz UXYWHPAPSCTFKI-AWEZNQCLSA-N 2 2 318.367 3.364 20 0 DGADLP C[NH+](C)CC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC001208182382 1092246639 /nfs/dbraw/zinc/24/66/39/1092246639.db2.gz ODFMJEBXARLKIV-UHFFFAOYSA-N 2 2 319.468 3.070 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4cccnc4cc3F)C[C@@H]2C1 ZINC001141634884 1092303374 /nfs/dbraw/zinc/30/33/74/1092303374.db2.gz VIFLYGFDFPUQQC-CALCHBBNSA-N 2 2 313.420 3.148 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cccnc4cc3F)C[C@@H]2C1 ZINC001141634884 1092303386 /nfs/dbraw/zinc/30/33/86/1092303386.db2.gz VIFLYGFDFPUQQC-CALCHBBNSA-N 2 2 313.420 3.148 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cccnc4cc3F)C[C@@H]2C1 ZINC001141634884 1092303401 /nfs/dbraw/zinc/30/34/01/1092303401.db2.gz VIFLYGFDFPUQQC-CALCHBBNSA-N 2 2 313.420 3.148 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4cccnc4cc3F)C[C@@H]2C1 ZINC001141634884 1092303405 /nfs/dbraw/zinc/30/34/05/1092303405.db2.gz VIFLYGFDFPUQQC-CALCHBBNSA-N 2 2 313.420 3.148 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)[nH+]1 ZINC001142066051 1092401683 /nfs/dbraw/zinc/40/16/83/1092401683.db2.gz RWJFWGPBXSBPEU-DJJJIMSYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1ccc([C@@H](C)Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)nc1 ZINC001168859689 1092401732 /nfs/dbraw/zinc/40/17/32/1092401732.db2.gz DQEWQBPKZCKETB-NVXWUHKLSA-N 2 2 310.445 3.096 20 0 DGADLP Cc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)nc1 ZINC001168859689 1092401743 /nfs/dbraw/zinc/40/17/43/1092401743.db2.gz DQEWQBPKZCKETB-NVXWUHKLSA-N 2 2 310.445 3.096 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606818 1092425623 /nfs/dbraw/zinc/42/56/23/1092425623.db2.gz HDXVNEGBIUWWJF-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606818 1092425629 /nfs/dbraw/zinc/42/56/29/1092425629.db2.gz HDXVNEGBIUWWJF-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606818 1092425631 /nfs/dbraw/zinc/42/56/31/1092425631.db2.gz HDXVNEGBIUWWJF-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)Cc2ccncc2)C1 ZINC001208606818 1092425635 /nfs/dbraw/zinc/42/56/35/1092425635.db2.gz HDXVNEGBIUWWJF-HXUWFJFHSA-N 2 2 309.457 3.426 20 0 DGADLP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208649024 1092441060 /nfs/dbraw/zinc/44/10/60/1092441060.db2.gz OFRDVZDUJVYCEI-KRWDZBQOSA-N 2 2 315.461 3.167 20 0 DGADLP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208650330 1092444127 /nfs/dbraw/zinc/44/41/27/1092444127.db2.gz YYPOMRWATJGTKK-SUMWQHHRSA-N 2 2 317.477 3.247 20 0 DGADLP CC/C=C\CC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001208727634 1092475895 /nfs/dbraw/zinc/47/58/95/1092475895.db2.gz GDZKAYYTJXZHNV-ARJAWSKDSA-N 2 2 315.461 3.109 20 0 DGADLP CC(C)CCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001208733639 1092478211 /nfs/dbraw/zinc/47/82/11/1092478211.db2.gz UKJRBLUDYNHPCB-UHFFFAOYSA-N 2 2 317.477 3.189 20 0 DGADLP CC(C)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208732448 1092479513 /nfs/dbraw/zinc/47/95/13/1092479513.db2.gz FUTNOFBFDIEBHI-RTBURBONSA-N 2 2 301.478 3.272 20 0 DGADLP CC(C)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208732448 1092479517 /nfs/dbraw/zinc/47/95/17/1092479517.db2.gz FUTNOFBFDIEBHI-RTBURBONSA-N 2 2 301.478 3.272 20 0 DGADLP CC(C)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208732448 1092479522 /nfs/dbraw/zinc/47/95/22/1092479522.db2.gz FUTNOFBFDIEBHI-RTBURBONSA-N 2 2 301.478 3.272 20 0 DGADLP CC(C)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208732448 1092479526 /nfs/dbraw/zinc/47/95/26/1092479526.db2.gz FUTNOFBFDIEBHI-RTBURBONSA-N 2 2 301.478 3.272 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001492350643 1092480919 /nfs/dbraw/zinc/48/09/19/1092480919.db2.gz MBWILCGMEHETJU-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001492350643 1092480926 /nfs/dbraw/zinc/48/09/26/1092480926.db2.gz MBWILCGMEHETJU-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153379 1092567608 /nfs/dbraw/zinc/56/76/08/1092567608.db2.gz IKEQBCHPRZWCKH-BHNDVYRESA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153379 1092567614 /nfs/dbraw/zinc/56/76/14/1092567614.db2.gz IKEQBCHPRZWCKH-BHNDVYRESA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153379 1092567623 /nfs/dbraw/zinc/56/76/23/1092567623.db2.gz IKEQBCHPRZWCKH-BHNDVYRESA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153379 1092567632 /nfs/dbraw/zinc/56/76/32/1092567632.db2.gz IKEQBCHPRZWCKH-BHNDVYRESA-N 2 2 300.446 3.074 20 0 DGADLP CC1(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CCCCC1 ZINC001208897468 1092574444 /nfs/dbraw/zinc/57/44/44/1092574444.db2.gz YSTSBPKWGVXZSY-RTBURBONSA-N 2 2 313.489 3.416 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CC3(C)CCCCC3)CC2)c1 ZINC001208907856 1092577729 /nfs/dbraw/zinc/57/77/29/1092577729.db2.gz MPZWGJSFAQZRND-UHFFFAOYSA-N 2 2 303.450 3.183 20 0 DGADLP CC[C@H]1COCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940040 1092603217 /nfs/dbraw/zinc/60/32/17/1092603217.db2.gz NXXWEYRQEGAWMP-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1COCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940040 1092603222 /nfs/dbraw/zinc/60/32/22/1092603222.db2.gz NXXWEYRQEGAWMP-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1COCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940040 1092603228 /nfs/dbraw/zinc/60/32/28/1092603228.db2.gz NXXWEYRQEGAWMP-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@H]1COCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940040 1092603230 /nfs/dbraw/zinc/60/32/30/1092603230.db2.gz NXXWEYRQEGAWMP-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947756 1092604615 /nfs/dbraw/zinc/60/46/15/1092604615.db2.gz CPAQRVUBUDUUNQ-IBGZPJMESA-N 2 2 322.452 3.403 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947756 1092604618 /nfs/dbraw/zinc/60/46/18/1092604618.db2.gz CPAQRVUBUDUUNQ-IBGZPJMESA-N 2 2 322.452 3.403 20 0 DGADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947756 1092604622 /nfs/dbraw/zinc/60/46/22/1092604622.db2.gz CPAQRVUBUDUUNQ-IBGZPJMESA-N 2 2 322.452 3.403 20 0 DGADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCOc4ccccc4C3)C2)cc1 ZINC001208947756 1092604626 /nfs/dbraw/zinc/60/46/26/1092604626.db2.gz CPAQRVUBUDUUNQ-IBGZPJMESA-N 2 2 322.452 3.403 20 0 DGADLP c1cn2cc(CN3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc2[nH+]1 ZINC001143021223 1092605539 /nfs/dbraw/zinc/60/55/39/1092605539.db2.gz SEMDJZGAHHBQJT-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP c1cn2cc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc2[nH+]1 ZINC001143021223 1092605544 /nfs/dbraw/zinc/60/55/44/1092605544.db2.gz SEMDJZGAHHBQJT-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208947070 1092606028 /nfs/dbraw/zinc/60/60/28/1092606028.db2.gz YMQYFXSXSJLXFJ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208947070 1092606032 /nfs/dbraw/zinc/60/60/32/1092606032.db2.gz YMQYFXSXSJLXFJ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CCC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208947070 1092606035 /nfs/dbraw/zinc/60/60/35/1092606035.db2.gz YMQYFXSXSJLXFJ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CCC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208947070 1092606038 /nfs/dbraw/zinc/60/60/38/1092606038.db2.gz YMQYFXSXSJLXFJ-HXUWFJFHSA-N 3 2 317.521 3.172 20 0 DGADLP c1nc2c(s1)C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208952846 1092608010 /nfs/dbraw/zinc/60/80/10/1092608010.db2.gz MRYDOTDUJUHAFJ-INIZCTEOSA-N 2 2 313.470 3.023 20 0 DGADLP c1nc2c(s1)C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952846 1092608014 /nfs/dbraw/zinc/60/80/14/1092608014.db2.gz MRYDOTDUJUHAFJ-INIZCTEOSA-N 2 2 313.470 3.023 20 0 DGADLP c1nc2c(s1)C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208952846 1092608019 /nfs/dbraw/zinc/60/80/19/1092608019.db2.gz MRYDOTDUJUHAFJ-INIZCTEOSA-N 2 2 313.470 3.023 20 0 DGADLP c1nc2c(s1)C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208952846 1092608023 /nfs/dbraw/zinc/60/80/23/1092608023.db2.gz MRYDOTDUJUHAFJ-INIZCTEOSA-N 2 2 313.470 3.023 20 0 DGADLP CC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001169266648 1092610766 /nfs/dbraw/zinc/61/07/66/1092610766.db2.gz ZSGHKUUQCHWPAH-GASCZTMLSA-N 2 2 322.456 3.001 20 0 DGADLP CC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001169266648 1092610770 /nfs/dbraw/zinc/61/07/70/1092610770.db2.gz ZSGHKUUQCHWPAH-GASCZTMLSA-N 2 2 322.456 3.001 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CCSC[C@H]2c2ccc(OC)cc2)CC1 ZINC001169258179 1092621370 /nfs/dbraw/zinc/62/13/70/1092621370.db2.gz FHXFKWQUZORKFV-SFHVURJKSA-N 2 2 320.502 3.269 20 0 DGADLP CC[NH+]1CCC([N@H+]2CCSC[C@H]2c2ccc(OC)cc2)CC1 ZINC001169258179 1092621374 /nfs/dbraw/zinc/62/13/74/1092621374.db2.gz FHXFKWQUZORKFV-SFHVURJKSA-N 2 2 320.502 3.269 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2scc3c2OCCO3)CC1 ZINC001143193448 1092631429 /nfs/dbraw/zinc/63/14/29/1092631429.db2.gz LIYPCAOEBRECTO-UHFFFAOYSA-N 2 2 324.490 3.216 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2scc3c2OCCO3)CC1 ZINC001143193448 1092631436 /nfs/dbraw/zinc/63/14/36/1092631436.db2.gz LIYPCAOEBRECTO-UHFFFAOYSA-N 2 2 324.490 3.216 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119810 1092659711 /nfs/dbraw/zinc/65/97/11/1092659711.db2.gz VPGJPTOAENVGBT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119810 1092659715 /nfs/dbraw/zinc/65/97/15/1092659715.db2.gz VPGJPTOAENVGBT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119810 1092659717 /nfs/dbraw/zinc/65/97/17/1092659717.db2.gz VPGJPTOAENVGBT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC001209119810 1092659720 /nfs/dbraw/zinc/65/97/20/1092659720.db2.gz VPGJPTOAENVGBT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119812 1092660809 /nfs/dbraw/zinc/66/08/09/1092660809.db2.gz VPGJPTOAENVGBT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119812 1092660814 /nfs/dbraw/zinc/66/08/14/1092660814.db2.gz VPGJPTOAENVGBT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119812 1092660819 /nfs/dbraw/zinc/66/08/19/1092660819.db2.gz VPGJPTOAENVGBT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC001209119812 1092660823 /nfs/dbraw/zinc/66/08/23/1092660823.db2.gz VPGJPTOAENVGBT-ZBFHGGJFSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127498 1092666234 /nfs/dbraw/zinc/66/62/34/1092666234.db2.gz VVHBDGMBDJJYQH-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127498 1092666236 /nfs/dbraw/zinc/66/62/36/1092666236.db2.gz VVHBDGMBDJJYQH-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127498 1092666240 /nfs/dbraw/zinc/66/62/40/1092666240.db2.gz VVHBDGMBDJJYQH-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC001209127498 1092666243 /nfs/dbraw/zinc/66/62/43/1092666243.db2.gz VVHBDGMBDJJYQH-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP Cc1ncccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276623407 1092713582 /nfs/dbraw/zinc/71/35/82/1092713582.db2.gz VSUNBAWMYCPXIX-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ncccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276623407 1092713587 /nfs/dbraw/zinc/71/35/87/1092713587.db2.gz VSUNBAWMYCPXIX-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276623407 1092713596 /nfs/dbraw/zinc/71/35/96/1092713596.db2.gz VSUNBAWMYCPXIX-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276623407 1092713603 /nfs/dbraw/zinc/71/36/03/1092713603.db2.gz VSUNBAWMYCPXIX-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276637601 1092745009 /nfs/dbraw/zinc/74/50/09/1092745009.db2.gz GFPMPGYAXHIGKB-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276637601 1092745014 /nfs/dbraw/zinc/74/50/14/1092745014.db2.gz GFPMPGYAXHIGKB-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(C)n1 ZINC001276637601 1092745019 /nfs/dbraw/zinc/74/50/19/1092745019.db2.gz GFPMPGYAXHIGKB-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(C)n1 ZINC001276637601 1092745024 /nfs/dbraw/zinc/74/50/24/1092745024.db2.gz GFPMPGYAXHIGKB-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP Cn1nc2ccccc2c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001209540365 1092816094 /nfs/dbraw/zinc/81/60/94/1092816094.db2.gz VQALGLKIPOWIOE-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(c3ccc(Cl)cc3)CC2)O1 ZINC001210266395 1093101495 /nfs/dbraw/zinc/10/14/95/1093101495.db2.gz FRBTZUBEOGROJH-INIZCTEOSA-N 2 2 308.853 3.244 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(CN(Cc3c[nH+]c(C)[nH]3)C2)C1 ZINC001276682240 1093127055 /nfs/dbraw/zinc/12/70/55/1093127055.db2.gz HZVKGEUTLCBOEA-INIZCTEOSA-N 2 2 304.482 3.052 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CC2(CN(Cc3c[nH]c(C)[nH+]3)C2)C1 ZINC001276682240 1093127058 /nfs/dbraw/zinc/12/70/58/1093127058.db2.gz HZVKGEUTLCBOEA-INIZCTEOSA-N 2 2 304.482 3.052 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(OCc3ccccc3)cc2C)C1 ZINC001210561915 1093211353 /nfs/dbraw/zinc/21/13/53/1093211353.db2.gz XUTDTQGVIXSIGS-UHFFFAOYSA-N 2 2 310.441 3.225 20 0 DGADLP CCN(C)c1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC001210708323 1093256186 /nfs/dbraw/zinc/25/61/86/1093256186.db2.gz LLIMIGQDDFGJRS-QGZVFWFLSA-N 2 2 300.450 3.482 20 0 DGADLP Cc1cccc2c1[nH+]c(N)n2-c1c[nH+]cn1Cc1ccccc1 ZINC001216550087 1094217338 /nfs/dbraw/zinc/21/73/38/1094217338.db2.gz JZCXNHBAPXVICV-UHFFFAOYSA-N 2 2 303.369 3.161 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/Cl)c(C)[nH+]1 ZINC001135044771 1094379914 /nfs/dbraw/zinc/37/99/14/1094379914.db2.gz ZYRLSJQTQLDVQS-XFUXEANSSA-N 2 2 323.868 3.246 20 0 DGADLP C[NH+](C)C1(C[NH2+]CCCC(F)(F)F)Cc2ccccc2C1 ZINC001336736459 1094716884 /nfs/dbraw/zinc/71/68/84/1094716884.db2.gz SDRSDBXMBAXQRD-UHFFFAOYSA-N 2 2 300.368 3.018 20 0 DGADLP Fc1ccc(CC[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC001336766007 1094729718 /nfs/dbraw/zinc/72/97/18/1094729718.db2.gz AAMZSOCCECKSQE-UHFFFAOYSA-N 2 2 309.388 3.403 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170978048 1095069792 /nfs/dbraw/zinc/06/97/92/1095069792.db2.gz RZHRJZLEWCLCRQ-ZWKOTPCHSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170978048 1095069803 /nfs/dbraw/zinc/06/98/03/1095069803.db2.gz RZHRJZLEWCLCRQ-ZWKOTPCHSA-N 2 2 310.416 3.069 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316844976 1095196390 /nfs/dbraw/zinc/19/63/90/1095196390.db2.gz IIIRNALTUZBSHO-IPELMVKDSA-N 2 2 302.462 3.153 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316844976 1095196397 /nfs/dbraw/zinc/19/63/97/1095196397.db2.gz IIIRNALTUZBSHO-IPELMVKDSA-N 2 2 302.462 3.153 20 0 DGADLP Clc1cccc2[nH]c(C[N@H+]3CCc4[nH+]ccn4CC3)cc21 ZINC001136863421 1095203368 /nfs/dbraw/zinc/20/33/68/1095203368.db2.gz AYAMCZPBNMCNBM-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1cccc2[nH]c(C[N@@H+]3CCc4[nH+]ccn4CC3)cc21 ZINC001136863421 1095203381 /nfs/dbraw/zinc/20/33/81/1095203381.db2.gz AYAMCZPBNMCNBM-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001338447474 1095308549 /nfs/dbraw/zinc/30/85/49/1095308549.db2.gz BMTVQZKMUATWDH-NJAFHUGGSA-N 2 2 315.461 3.052 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001143627932 1095319921 /nfs/dbraw/zinc/31/99/21/1095319921.db2.gz AXPFBSITCRGQNJ-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC001143627932 1095319934 /nfs/dbraw/zinc/31/99/34/1095319934.db2.gz AXPFBSITCRGQNJ-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1c(F)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001143854341 1095413350 /nfs/dbraw/zinc/41/33/50/1095413350.db2.gz VUBOZFOFEYXZTA-UHFFFAOYSA-N 2 2 312.816 3.015 20 0 DGADLP Clc1ccncc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161922 1095469221 /nfs/dbraw/zinc/46/92/21/1095469221.db2.gz TZPZMHSGJFVXQE-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccncc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161922 1095469225 /nfs/dbraw/zinc/46/92/25/1095469225.db2.gz TZPZMHSGJFVXQE-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167675 1095473620 /nfs/dbraw/zinc/47/36/20/1095473620.db2.gz PBOTUCJLZCZWMI-IBGZPJMESA-N 3 2 312.461 3.309 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167675 1095473627 /nfs/dbraw/zinc/47/36/27/1095473627.db2.gz PBOTUCJLZCZWMI-IBGZPJMESA-N 3 2 312.461 3.309 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nn2ccccc12 ZINC001222171371 1095476436 /nfs/dbraw/zinc/47/64/36/1095476436.db2.gz AOGZSSCQIRXPQH-IBGZPJMESA-N 2 2 312.461 3.080 20 0 DGADLP c1c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nn2ccccc12 ZINC001222171371 1095476439 /nfs/dbraw/zinc/47/64/39/1095476439.db2.gz AOGZSSCQIRXPQH-IBGZPJMESA-N 2 2 312.461 3.080 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C)c(C)c1 ZINC001339064056 1095483033 /nfs/dbraw/zinc/48/30/33/1095483033.db2.gz USQJZQBZRNBGHA-UHFFFAOYSA-N 2 2 306.369 3.445 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136524 1095502691 /nfs/dbraw/zinc/50/26/91/1095502691.db2.gz UNAXJYOMMYOFKW-NXHRZFHOSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136524 1095502701 /nfs/dbraw/zinc/50/27/01/1095502701.db2.gz UNAXJYOMMYOFKW-NXHRZFHOSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136524 1095502709 /nfs/dbraw/zinc/50/27/09/1095502709.db2.gz UNAXJYOMMYOFKW-NXHRZFHOSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136524 1095502720 /nfs/dbraw/zinc/50/27/20/1095502720.db2.gz UNAXJYOMMYOFKW-NXHRZFHOSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136521 1095502797 /nfs/dbraw/zinc/50/27/97/1095502797.db2.gz UNAXJYOMMYOFKW-BPQIPLTHSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136521 1095502799 /nfs/dbraw/zinc/50/27/99/1095502799.db2.gz UNAXJYOMMYOFKW-BPQIPLTHSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136521 1095502808 /nfs/dbraw/zinc/50/28/08/1095502808.db2.gz UNAXJYOMMYOFKW-BPQIPLTHSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@H]21 ZINC001171136521 1095502814 /nfs/dbraw/zinc/50/28/14/1095502814.db2.gz UNAXJYOMMYOFKW-BPQIPLTHSA-N 2 2 304.865 3.223 20 0 DGADLP CCc1cc(C[NH+]2CCC([N@@H+](C)CC)CC2)cc(CC)c1O ZINC001144149964 1095537052 /nfs/dbraw/zinc/53/70/52/1095537052.db2.gz QAZDSLKPDOZTLY-UHFFFAOYSA-N 2 2 304.478 3.433 20 0 DGADLP CCc1cc(C[NH+]2CCC([N@H+](C)CC)CC2)cc(CC)c1O ZINC001144149964 1095537062 /nfs/dbraw/zinc/53/70/62/1095537062.db2.gz QAZDSLKPDOZTLY-UHFFFAOYSA-N 2 2 304.478 3.433 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321336 1095550413 /nfs/dbraw/zinc/55/04/13/1095550413.db2.gz TUKZFPZQBOFGDV-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321336 1095550417 /nfs/dbraw/zinc/55/04/17/1095550417.db2.gz TUKZFPZQBOFGDV-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP Oc1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2cccnc12 ZINC001222396818 1095592146 /nfs/dbraw/zinc/59/21/46/1095592146.db2.gz WEAUPFJWLQNDPT-IBGZPJMESA-N 2 2 311.429 3.049 20 0 DGADLP Oc1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2cccnc12 ZINC001222396818 1095592155 /nfs/dbraw/zinc/59/21/55/1095592155.db2.gz WEAUPFJWLQNDPT-IBGZPJMESA-N 2 2 311.429 3.049 20 0 DGADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171158342 1095598495 /nfs/dbraw/zinc/59/84/95/1095598495.db2.gz OPVBONVDMYKQJC-CYBMUJFWSA-N 2 2 324.255 3.417 20 0 DGADLP CCN(C)c1cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)nc[nH+]1 ZINC001171163835 1095612449 /nfs/dbraw/zinc/61/24/49/1095612449.db2.gz FQRANPXDYKQCPU-CQSZACIVSA-N 2 2 323.444 3.075 20 0 DGADLP [NH3+]CC1(F)CC[NH+](Cc2c(Cl)ccc(F)c2Cl)CC1 ZINC001222532329 1095653925 /nfs/dbraw/zinc/65/39/25/1095653925.db2.gz KMPJOWBKALUMOP-UHFFFAOYSA-N 2 2 309.187 3.395 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)cc2)cn1 ZINC001339604755 1095671947 /nfs/dbraw/zinc/67/19/47/1095671947.db2.gz RGXYLENTGYXUDG-UHFFFAOYSA-N 2 2 321.428 3.074 20 0 DGADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001137849481 1095765421 /nfs/dbraw/zinc/76/54/21/1095765421.db2.gz RWZWLSGRUAGCBB-KDURUIRLSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001137849481 1095765434 /nfs/dbraw/zinc/76/54/34/1095765434.db2.gz RWZWLSGRUAGCBB-KDURUIRLSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001137849481 1095765446 /nfs/dbraw/zinc/76/54/46/1095765446.db2.gz RWZWLSGRUAGCBB-KDURUIRLSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001137849481 1095765455 /nfs/dbraw/zinc/76/54/55/1095765455.db2.gz RWZWLSGRUAGCBB-KDURUIRLSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3Cl)C[C@@H]2C1 ZINC001144723919 1095789552 /nfs/dbraw/zinc/78/95/52/1095789552.db2.gz XHOFWADDIXHFSY-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3Cl)C[C@@H]2C1 ZINC001144723919 1095789563 /nfs/dbraw/zinc/78/95/63/1095789563.db2.gz XHOFWADDIXHFSY-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3Cl)C[C@@H]2C1 ZINC001144723919 1095789576 /nfs/dbraw/zinc/78/95/76/1095789576.db2.gz XHOFWADDIXHFSY-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3Cl)C[C@@H]2C1 ZINC001144723919 1095789581 /nfs/dbraw/zinc/78/95/81/1095789581.db2.gz XHOFWADDIXHFSY-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP COc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137997850 1095824445 /nfs/dbraw/zinc/82/44/45/1095824445.db2.gz GBXUIBOCHPEIQX-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001137997850 1095824467 /nfs/dbraw/zinc/82/44/67/1095824467.db2.gz GBXUIBOCHPEIQX-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001340055814 1095839627 /nfs/dbraw/zinc/83/96/27/1095839627.db2.gz DQSOVEBTROTKRM-BDJLRTHQSA-N 2 2 314.433 3.396 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cncn2C(C)C)[nH+]1 ZINC001118099326 1095936476 /nfs/dbraw/zinc/93/64/76/1095936476.db2.gz KBLLJFYXVAGKNZ-INIZCTEOSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc3nonc3c2)[nH+]1 ZINC001118304267 1095978160 /nfs/dbraw/zinc/97/81/60/1095978160.db2.gz COAZSVGSNYFQLZ-OAHLLOKOSA-N 2 2 323.400 3.003 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc3nonc3c2)[nH+]1 ZINC001118304267 1095978168 /nfs/dbraw/zinc/97/81/68/1095978168.db2.gz COAZSVGSNYFQLZ-OAHLLOKOSA-N 2 2 323.400 3.003 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283143 1096092044 /nfs/dbraw/zinc/09/20/44/1096092044.db2.gz DNIMWGYHZYYCEX-KBPBESRZSA-N 2 2 322.880 3.280 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171283143 1096092056 /nfs/dbraw/zinc/09/20/56/1096092056.db2.gz DNIMWGYHZYYCEX-KBPBESRZSA-N 2 2 322.880 3.280 20 0 DGADLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001118994745 1096119154 /nfs/dbraw/zinc/11/91/54/1096119154.db2.gz ZBPSRCPXANIGBK-UHFFFAOYSA-N 2 2 301.459 3.384 20 0 DGADLP CC1(C)CC[NH2+]CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001118994745 1096119158 /nfs/dbraw/zinc/11/91/58/1096119158.db2.gz ZBPSRCPXANIGBK-UHFFFAOYSA-N 2 2 301.459 3.384 20 0 DGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001119316423 1096164150 /nfs/dbraw/zinc/16/41/50/1096164150.db2.gz NJVVRIKRSFMZSD-KRWDZBQOSA-N 2 2 300.406 3.150 20 0 DGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000234932463 1096287549 /nfs/dbraw/zinc/28/75/49/1096287549.db2.gz XIEQNLRXHDBDFD-VBNZEHGJSA-N 2 2 308.853 3.359 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171355917 1096525470 /nfs/dbraw/zinc/52/54/70/1096525470.db2.gz VVHKTTOLBQZMED-HOTGVXAUSA-N 2 2 308.416 3.142 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171355917 1096525475 /nfs/dbraw/zinc/52/54/75/1096525475.db2.gz VVHKTTOLBQZMED-HOTGVXAUSA-N 2 2 308.416 3.142 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171388603 1096637760 /nfs/dbraw/zinc/63/77/60/1096637760.db2.gz PAKWISVJZCCNAA-IUODEOHRSA-N 2 2 317.383 3.358 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCCC(C)C)CC2)c(C)[nH+]1 ZINC001277120537 1096665957 /nfs/dbraw/zinc/66/59/57/1096665957.db2.gz YNZCLPVTHRSGMP-UHFFFAOYSA-N 2 2 317.477 3.295 20 0 DGADLP Fc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171411696 1096696949 /nfs/dbraw/zinc/69/69/49/1096696949.db2.gz MGXYPPTXKIBSEE-IRXDYDNUSA-N 2 2 302.437 3.147 20 0 DGADLP Fc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171411696 1096696953 /nfs/dbraw/zinc/69/69/53/1096696953.db2.gz MGXYPPTXKIBSEE-IRXDYDNUSA-N 2 2 302.437 3.147 20 0 DGADLP COC(=O)c1ccccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619065 1096935177 /nfs/dbraw/zinc/93/51/77/1096935177.db2.gz GIJIBKMIENKGFY-UHFFFAOYSA-N 2 2 318.461 3.214 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1(C)C ZINC001171624485 1096937498 /nfs/dbraw/zinc/93/74/98/1096937498.db2.gz SXVXIPHKAFIRDC-UHFFFAOYSA-N 3 2 307.526 3.244 20 0 DGADLP CC[C@H](C)C[NH2+]CCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277216995 1096945326 /nfs/dbraw/zinc/94/53/26/1096945326.db2.gz HLEFQMIXMCVXQC-KBPBESRZSA-N 2 2 316.449 3.097 20 0 DGADLP C[NH+]1CCC2(CC1)CC[NH+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171642855 1096950576 /nfs/dbraw/zinc/95/05/76/1096950576.db2.gz NZRASBPURCGFTA-UHFFFAOYSA-N 3 2 321.553 3.446 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCCC[NH2+]C(C)C)c(C)[nH+]1 ZINC001171860874 1096993178 /nfs/dbraw/zinc/99/31/78/1096993178.db2.gz VNSDGFFVWXKOCM-CQSZACIVSA-N 2 2 305.466 3.293 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccnnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972934 1097022280 /nfs/dbraw/zinc/02/22/80/1097022280.db2.gz UUTRIRWTYQOHBP-SFHVURJKSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccnnc2)CC[N@H+]1Cc1ccccc1 ZINC001171972934 1097022285 /nfs/dbraw/zinc/02/22/85/1097022285.db2.gz UUTRIRWTYQOHBP-SFHVURJKSA-N 2 2 310.445 3.009 20 0 DGADLP CCN1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980109 1097027308 /nfs/dbraw/zinc/02/73/08/1097027308.db2.gz PDECEDZDKVDOHX-RBUKOAKNSA-N 2 2 315.505 3.113 20 0 DGADLP CCN1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980109 1097027314 /nfs/dbraw/zinc/02/73/14/1097027314.db2.gz PDECEDZDKVDOHX-RBUKOAKNSA-N 2 2 315.505 3.113 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172208221 1097077931 /nfs/dbraw/zinc/07/79/31/1097077931.db2.gz HQXCXNMEFAILHP-QGZVFWFLSA-N 2 2 302.487 3.262 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172208221 1097077937 /nfs/dbraw/zinc/07/79/37/1097077937.db2.gz HQXCXNMEFAILHP-QGZVFWFLSA-N 2 2 302.487 3.262 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001172200941 1097086136 /nfs/dbraw/zinc/08/61/36/1097086136.db2.gz LSNXXGGBZMBYJV-QZTJIDSGSA-N 2 2 310.466 3.089 20 0 DGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001172200941 1097086142 /nfs/dbraw/zinc/08/61/42/1097086142.db2.gz LSNXXGGBZMBYJV-QZTJIDSGSA-N 2 2 310.466 3.089 20 0 DGADLP COCCC[NH+]1CCC([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001172253350 1097092163 /nfs/dbraw/zinc/09/21/63/1097092163.db2.gz MFWLSVIQPGXJFT-MRXNPFEDSA-N 2 2 312.473 3.092 20 0 DGADLP COCCC[NH+]1CCC([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001172253349 1097092320 /nfs/dbraw/zinc/09/23/20/1097092320.db2.gz MFWLSVIQPGXJFT-INIZCTEOSA-N 2 2 312.473 3.092 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@@H]1C ZINC001172377898 1097112815 /nfs/dbraw/zinc/11/28/15/1097112815.db2.gz ZPMPYHAIZMQKKJ-JVJLKXRTSA-N 2 2 313.489 3.270 20 0 DGADLP CC(C)COCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172473380 1097147976 /nfs/dbraw/zinc/14/79/76/1097147976.db2.gz LWVSBLREUDMBEH-MRXNPFEDSA-N 2 2 306.450 3.376 20 0 DGADLP CC(C)COCC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172482442 1097151382 /nfs/dbraw/zinc/15/13/82/1097151382.db2.gz YWYBDADDAQIIHR-INIZCTEOSA-N 2 2 305.466 3.091 20 0 DGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC001172555132 1097179153 /nfs/dbraw/zinc/17/91/53/1097179153.db2.gz GQXOHZSQMKIANH-QRVBRYPASA-N 2 2 314.473 3.166 20 0 DGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC001172555132 1097179156 /nfs/dbraw/zinc/17/91/56/1097179156.db2.gz GQXOHZSQMKIANH-QRVBRYPASA-N 2 2 314.473 3.166 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCn1cc[nH+]c1 ZINC001172564103 1097180774 /nfs/dbraw/zinc/18/07/74/1097180774.db2.gz BRTNCKIZRLBSOS-LLVKDONJSA-N 2 2 313.779 3.426 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)CC[C@@H]1F ZINC001206172591 1097208642 /nfs/dbraw/zinc/20/86/42/1097208642.db2.gz AWDZFFHMGQNPSF-LSDHHAIUSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)CC[C@@H]1F ZINC001206172591 1097208644 /nfs/dbraw/zinc/20/86/44/1097208644.db2.gz AWDZFFHMGQNPSF-LSDHHAIUSA-N 2 2 307.800 3.149 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H](C)Cc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC001172863767 1097266642 /nfs/dbraw/zinc/26/66/42/1097266642.db2.gz KKGLUHJGBWHTIY-NSHDSACASA-N 2 2 321.827 3.476 20 0 DGADLP CC[C@H]1CC[C@H]([N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283113 1097413403 /nfs/dbraw/zinc/41/34/03/1097413403.db2.gz SOHTZHCVWZSEEI-HOTGVXAUSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@H]1CC[C@H]([N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283113 1097413406 /nfs/dbraw/zinc/41/34/06/1097413406.db2.gz SOHTZHCVWZSEEI-HOTGVXAUSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277451453 1097465449 /nfs/dbraw/zinc/46/54/49/1097465449.db2.gz BFDGUPLCHROFTP-LPHOPBHVSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277451453 1097465454 /nfs/dbraw/zinc/46/54/54/1097465454.db2.gz BFDGUPLCHROFTP-LPHOPBHVSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277451453 1097465457 /nfs/dbraw/zinc/46/54/57/1097465457.db2.gz BFDGUPLCHROFTP-LPHOPBHVSA-N 2 2 318.509 3.241 20 0 DGADLP CC[C@H](C)c1nn(C)cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277451453 1097465463 /nfs/dbraw/zinc/46/54/63/1097465463.db2.gz BFDGUPLCHROFTP-LPHOPBHVSA-N 2 2 318.509 3.241 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc(C)c(C)cc3C)CC2)nc(C)[nH+]1 ZINC001231484509 1097759242 /nfs/dbraw/zinc/75/92/42/1097759242.db2.gz PQDMLUFULOJRJV-UHFFFAOYSA-N 2 2 324.472 3.341 20 0 DGADLP c1cn(CC[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)c[nH+]1 ZINC001277544968 1097798602 /nfs/dbraw/zinc/79/86/02/1097798602.db2.gz WAGRREKOHNNPEA-UHFFFAOYSA-N 3 2 316.493 3.004 20 0 DGADLP c1cn(CC[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)c[nH+]1 ZINC001277544968 1097798610 /nfs/dbraw/zinc/79/86/10/1097798610.db2.gz WAGRREKOHNNPEA-UHFFFAOYSA-N 3 2 316.493 3.004 20 0 DGADLP CCOc1ncccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001231767834 1097837895 /nfs/dbraw/zinc/83/78/95/1097837895.db2.gz GADMVGYTQJBWGY-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ncccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001231767834 1097837900 /nfs/dbraw/zinc/83/79/00/1097837900.db2.gz GADMVGYTQJBWGY-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ncccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001231767834 1097837905 /nfs/dbraw/zinc/83/79/05/1097837905.db2.gz GADMVGYTQJBWGY-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ncccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001231767834 1097837911 /nfs/dbraw/zinc/83/79/11/1097837911.db2.gz GADMVGYTQJBWGY-ROUUACIJSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1ccn2cc(C[N@H+](C)Cc3cc4c[nH+]ccc4[nH]3)nc2c1 ZINC001232018029 1097919822 /nfs/dbraw/zinc/91/98/22/1097919822.db2.gz DKPJIRFAMSYJQU-UHFFFAOYSA-N 2 2 305.385 3.151 20 0 DGADLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)on1 ZINC001277605875 1097927148 /nfs/dbraw/zinc/92/71/48/1097927148.db2.gz SARPANPAXLTYPA-ZWKOTPCHSA-N 2 2 303.450 3.450 20 0 DGADLP Cn1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C2CC2)n1 ZINC001232174415 1097956427 /nfs/dbraw/zinc/95/64/27/1097956427.db2.gz YHUJNFVMYAOOAH-UHFFFAOYSA-N 2 2 316.493 3.136 20 0 DGADLP Cn1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(C2CC2)n1 ZINC001232174415 1097956432 /nfs/dbraw/zinc/95/64/32/1097956432.db2.gz YHUJNFVMYAOOAH-UHFFFAOYSA-N 2 2 316.493 3.136 20 0 DGADLP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001232252808 1097982747 /nfs/dbraw/zinc/98/27/47/1097982747.db2.gz ZSSPUARMIWKMCA-KRWDZBQOSA-N 2 2 305.381 3.283 20 0 DGADLP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001232252808 1097982753 /nfs/dbraw/zinc/98/27/53/1097982753.db2.gz ZSSPUARMIWKMCA-KRWDZBQOSA-N 2 2 305.381 3.283 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(C)n1 ZINC001232332710 1098007171 /nfs/dbraw/zinc/00/71/71/1098007171.db2.gz HTWSKANMAYPDHZ-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(C)n1 ZINC001232332710 1098007177 /nfs/dbraw/zinc/00/71/77/1098007177.db2.gz HTWSKANMAYPDHZ-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cn1 ZINC001232350403 1098012404 /nfs/dbraw/zinc/01/24/04/1098012404.db2.gz SWCUNDVSCOZYDH-UHFFFAOYSA-N 2 2 302.447 3.146 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468906 1098048014 /nfs/dbraw/zinc/04/80/14/1098048014.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468906 1098048019 /nfs/dbraw/zinc/04/80/19/1098048019.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468906 1098048022 /nfs/dbraw/zinc/04/80/22/1098048022.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c[nH+]1 ZINC001232468906 1098048029 /nfs/dbraw/zinc/04/80/29/1098048029.db2.gz QUJAWMKCWZDWKW-MOPGFXCFSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccnc(Cl)c2C)CC1 ZINC001232755816 1098129965 /nfs/dbraw/zinc/12/99/65/1098129965.db2.gz WKWNGOHCXOEWMO-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]c2ccc(O)cc12)C1CC[NH+](C)CC1 ZINC001232866668 1098156391 /nfs/dbraw/zinc/15/63/91/1098156391.db2.gz CQXLVGGRSBCOLX-UHFFFAOYSA-N 2 2 301.434 3.178 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]c2ccc(O)cc12)C1CC[NH+](C)CC1 ZINC001232866668 1098156395 /nfs/dbraw/zinc/15/63/95/1098156395.db2.gz CQXLVGGRSBCOLX-UHFFFAOYSA-N 2 2 301.434 3.178 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cncc(-c4ccccc4)c3)C[C@@H]2C1 ZINC001232903837 1098169779 /nfs/dbraw/zinc/16/97/79/1098169779.db2.gz SPUKTNFNKBMHNP-BGYRXZFFSA-N 2 2 307.441 3.132 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cncc(-c4ccccc4)c3)C[C@@H]2C1 ZINC001232903837 1098169781 /nfs/dbraw/zinc/16/97/81/1098169781.db2.gz SPUKTNFNKBMHNP-BGYRXZFFSA-N 2 2 307.441 3.132 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cncc(-c4ccccc4)c3)C[C@@H]2C1 ZINC001232903837 1098169786 /nfs/dbraw/zinc/16/97/86/1098169786.db2.gz SPUKTNFNKBMHNP-BGYRXZFFSA-N 2 2 307.441 3.132 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cncc(-c4ccccc4)c3)C[C@@H]2C1 ZINC001232903837 1098169789 /nfs/dbraw/zinc/16/97/89/1098169789.db2.gz SPUKTNFNKBMHNP-BGYRXZFFSA-N 2 2 307.441 3.132 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]2C1 ZINC001232948341 1098180435 /nfs/dbraw/zinc/18/04/35/1098180435.db2.gz VCTALFBXRWYZBK-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]2C1 ZINC001232948341 1098180439 /nfs/dbraw/zinc/18/04/39/1098180439.db2.gz VCTALFBXRWYZBK-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]2C1 ZINC001232948341 1098180443 /nfs/dbraw/zinc/18/04/43/1098180443.db2.gz VCTALFBXRWYZBK-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(SC(F)(F)F)c3)C[C@@H]2C1 ZINC001232948341 1098180447 /nfs/dbraw/zinc/18/04/47/1098180447.db2.gz VCTALFBXRWYZBK-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)nc(C)[nH+]1 ZINC001232983936 1098193259 /nfs/dbraw/zinc/19/32/59/1098193259.db2.gz VCLKAPUPJOHQHD-UHFFFAOYSA-N 2 2 322.456 3.293 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(Cl)ncc1O ZINC001233039483 1098209626 /nfs/dbraw/zinc/20/96/26/1098209626.db2.gz XONRXHHCOSBDDZ-LSDHHAIUSA-N 2 2 323.868 3.279 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(Cl)ncc1O ZINC001233039483 1098209633 /nfs/dbraw/zinc/20/96/33/1098209633.db2.gz XONRXHHCOSBDDZ-LSDHHAIUSA-N 2 2 323.868 3.279 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ncc1O ZINC001233039483 1098209637 /nfs/dbraw/zinc/20/96/37/1098209637.db2.gz XONRXHHCOSBDDZ-LSDHHAIUSA-N 2 2 323.868 3.279 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ncc1O ZINC001233039483 1098209643 /nfs/dbraw/zinc/20/96/43/1098209643.db2.gz XONRXHHCOSBDDZ-LSDHHAIUSA-N 2 2 323.868 3.279 20 0 DGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C[NH3+])cc3)c2c1 ZINC001175966606 1098213886 /nfs/dbraw/zinc/21/38/86/1098213886.db2.gz RMIDWVCPCMHKOL-UHFFFAOYSA-N 2 2 321.380 3.036 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(C)s2)CC1 ZINC001233692756 1098409766 /nfs/dbraw/zinc/40/97/66/1098409766.db2.gz ORMSWHUQCLWMTF-QGZVFWFLSA-N 2 2 322.518 3.440 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(C)s2)CC1 ZINC001233692756 1098409768 /nfs/dbraw/zinc/40/97/68/1098409768.db2.gz ORMSWHUQCLWMTF-QGZVFWFLSA-N 2 2 322.518 3.440 20 0 DGADLP CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807142 1098429723 /nfs/dbraw/zinc/42/97/23/1098429723.db2.gz KUJWGPYHIFMCOB-VQIMIIECSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807142 1098429727 /nfs/dbraw/zinc/42/97/27/1098429727.db2.gz KUJWGPYHIFMCOB-VQIMIIECSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807142 1098429733 /nfs/dbraw/zinc/42/97/33/1098429733.db2.gz KUJWGPYHIFMCOB-VQIMIIECSA-N 2 2 317.477 3.264 20 0 DGADLP CC[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001277807142 1098429737 /nfs/dbraw/zinc/42/97/37/1098429737.db2.gz KUJWGPYHIFMCOB-VQIMIIECSA-N 2 2 317.477 3.264 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC001176976999 1098459136 /nfs/dbraw/zinc/45/91/36/1098459136.db2.gz HPZWTWSGTPTUMQ-UHFFFAOYSA-N 2 2 324.472 3.052 20 0 DGADLP CN(C)c1ccccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001177217172 1098496114 /nfs/dbraw/zinc/49/61/14/1098496114.db2.gz AWCAISPQRANUOW-UHFFFAOYSA-N 2 2 320.440 3.287 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001177471282 1098536387 /nfs/dbraw/zinc/53/63/87/1098536387.db2.gz NIEWKUHETDCKQB-YJBOKZPZSA-N 2 2 317.408 3.305 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1)C2 ZINC001177673869 1098575584 /nfs/dbraw/zinc/57/55/84/1098575584.db2.gz AQRNZHXTSURMMG-WBVHZDCISA-N 2 2 313.445 3.065 20 0 DGADLP Cc1[nH]c(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC001234655096 1098633644 /nfs/dbraw/zinc/63/36/44/1098633644.db2.gz PEWQOWMOHHDRID-UHFFFAOYSA-N 2 2 324.472 3.125 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001234980265 1098733747 /nfs/dbraw/zinc/73/37/47/1098733747.db2.gz VUISSUKHTXFNNS-PHIMTYICSA-N 2 2 304.743 3.010 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001234980265 1098733759 /nfs/dbraw/zinc/73/37/59/1098733759.db2.gz VUISSUKHTXFNNS-PHIMTYICSA-N 2 2 304.743 3.010 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C ZINC001234997683 1098740812 /nfs/dbraw/zinc/74/08/12/1098740812.db2.gz DMSDWGIWFHEJKY-LJQANCHMSA-N 2 2 317.477 3.144 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C ZINC001234997683 1098740816 /nfs/dbraw/zinc/74/08/16/1098740816.db2.gz DMSDWGIWFHEJKY-LJQANCHMSA-N 2 2 317.477 3.144 20 0 DGADLP Clc1ccnc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc12 ZINC001234997430 1098741076 /nfs/dbraw/zinc/74/10/76/1098741076.db2.gz CLMXABLSHIDPRY-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1ccnc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc12 ZINC001234997430 1098741081 /nfs/dbraw/zinc/74/10/81/1098741081.db2.gz CLMXABLSHIDPRY-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1ccnc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc12 ZINC001234997428 1098741648 /nfs/dbraw/zinc/74/16/48/1098741648.db2.gz CLMXABLSHIDPRY-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1ccnc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc12 ZINC001234997428 1098741657 /nfs/dbraw/zinc/74/16/57/1098741657.db2.gz CLMXABLSHIDPRY-GOSISDBHSA-N 2 2 315.848 3.464 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235026848 1098756701 /nfs/dbraw/zinc/75/67/01/1098756701.db2.gz URAXZLGMOUFFGS-UHFFFAOYSA-N 2 2 302.365 3.094 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235026848 1098756709 /nfs/dbraw/zinc/75/67/09/1098756709.db2.gz URAXZLGMOUFFGS-UHFFFAOYSA-N 2 2 302.365 3.094 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036944 1098766266 /nfs/dbraw/zinc/76/62/66/1098766266.db2.gz DDFZHODQGSCTPX-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036944 1098766276 /nfs/dbraw/zinc/76/62/76/1098766276.db2.gz DDFZHODQGSCTPX-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(OC)cc1C ZINC001235036901 1098766635 /nfs/dbraw/zinc/76/66/35/1098766635.db2.gz CNUJXXOPLZEUBR-LJQANCHMSA-N 2 2 318.461 3.120 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(OC)cc1C ZINC001235036901 1098766642 /nfs/dbraw/zinc/76/66/42/1098766642.db2.gz CNUJXXOPLZEUBR-LJQANCHMSA-N 2 2 318.461 3.120 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235090238 1098793020 /nfs/dbraw/zinc/79/30/20/1098793020.db2.gz CDJZTOAPRAZFLN-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235090238 1098793027 /nfs/dbraw/zinc/79/30/27/1098793027.db2.gz CDJZTOAPRAZFLN-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)nc1 ZINC001235122380 1098824520 /nfs/dbraw/zinc/82/45/20/1098824520.db2.gz SSQXQHRQJRLLBL-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)nc1 ZINC001235122380 1098824535 /nfs/dbraw/zinc/82/45/35/1098824535.db2.gz SSQXQHRQJRLLBL-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP CCC(=O)Oc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235167668 1098850827 /nfs/dbraw/zinc/85/08/27/1098850827.db2.gz MOVRLEKUPLCYIZ-LJQANCHMSA-N 2 2 316.445 3.110 20 0 DGADLP CCC(=O)Oc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235167668 1098850834 /nfs/dbraw/zinc/85/08/34/1098850834.db2.gz MOVRLEKUPLCYIZ-LJQANCHMSA-N 2 2 316.445 3.110 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235175270 1098857494 /nfs/dbraw/zinc/85/74/94/1098857494.db2.gz ZKPWDFNHUSNQQS-PZJWPPBQSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235175270 1098857500 /nfs/dbraw/zinc/85/75/00/1098857500.db2.gz ZKPWDFNHUSNQQS-PZJWPPBQSA-N 2 2 322.452 3.497 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206335280 1098877030 /nfs/dbraw/zinc/87/70/30/1098877030.db2.gz DPLFFNWVNRIXEW-DOTOQJQBSA-N 2 2 302.478 3.107 20 0 DGADLP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206335280 1098877038 /nfs/dbraw/zinc/87/70/38/1098877038.db2.gz DPLFFNWVNRIXEW-DOTOQJQBSA-N 2 2 302.478 3.107 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCCCOCc2ccccc2)C1 ZINC001206338307 1098898090 /nfs/dbraw/zinc/89/80/90/1098898090.db2.gz ZBVKSTPSKFYLTH-GOSISDBHSA-N 2 2 308.441 3.136 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206338307 1098898108 /nfs/dbraw/zinc/89/81/08/1098898108.db2.gz ZBVKSTPSKFYLTH-GOSISDBHSA-N 2 2 308.441 3.136 20 0 DGADLP c1ccc(OCc2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235255202 1098927771 /nfs/dbraw/zinc/92/77/71/1098927771.db2.gz DCGDUTFNEPQQCV-ICSRJNTNSA-N 2 2 308.425 3.059 20 0 DGADLP c1ccc(OCc2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235255202 1098927782 /nfs/dbraw/zinc/92/77/82/1098927782.db2.gz DCGDUTFNEPQQCV-ICSRJNTNSA-N 2 2 308.425 3.059 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235257826 1098928670 /nfs/dbraw/zinc/92/86/70/1098928670.db2.gz JJGZAVMJAQCBBC-QUCCMNQESA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235257826 1098928676 /nfs/dbraw/zinc/92/86/76/1098928676.db2.gz JJGZAVMJAQCBBC-QUCCMNQESA-N 2 2 308.425 3.156 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)ccc21 ZINC001235257915 1098929700 /nfs/dbraw/zinc/92/97/00/1098929700.db2.gz JUWPQDYRFSROCL-QAPCUYQASA-N 2 2 305.425 3.125 20 0 DGADLP Cn1c2ccccc2c2cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)ccc21 ZINC001235257915 1098929704 /nfs/dbraw/zinc/92/97/04/1098929704.db2.gz JUWPQDYRFSROCL-QAPCUYQASA-N 2 2 305.425 3.125 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235260974 1098933471 /nfs/dbraw/zinc/93/34/71/1098933471.db2.gz OMKOGDPBDZHIFV-YLJYHZDGSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235260974 1098933479 /nfs/dbraw/zinc/93/34/79/1098933479.db2.gz OMKOGDPBDZHIFV-YLJYHZDGSA-N 2 2 308.425 3.156 20 0 DGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235364161 1098981261 /nfs/dbraw/zinc/98/12/61/1098981261.db2.gz VIWQRVHXCLPQKU-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235364161 1098981269 /nfs/dbraw/zinc/98/12/69/1098981269.db2.gz VIWQRVHXCLPQKU-IBGZPJMESA-N 2 2 324.424 3.063 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403235 1098999606 /nfs/dbraw/zinc/99/96/06/1098999606.db2.gz KNIJPQLKGULDLX-IAGOWNOFSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001235403235 1098999615 /nfs/dbraw/zinc/99/96/15/1098999615.db2.gz KNIJPQLKGULDLX-IAGOWNOFSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409814 1099008526 /nfs/dbraw/zinc/00/85/26/1099008526.db2.gz WXGXLWCFWCVYOZ-WBVHZDCISA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409814 1099008539 /nfs/dbraw/zinc/00/85/39/1099008539.db2.gz WXGXLWCFWCVYOZ-WBVHZDCISA-N 2 2 321.827 3.345 20 0 DGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(F)c1F ZINC001235442848 1099036570 /nfs/dbraw/zinc/03/65/70/1099036570.db2.gz ICLGCWFDQCDXJQ-UHFFFAOYSA-N 2 2 312.404 3.278 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(F)c1F ZINC001235442848 1099036582 /nfs/dbraw/zinc/03/65/82/1099036582.db2.gz ICLGCWFDQCDXJQ-UHFFFAOYSA-N 2 2 312.404 3.278 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001235639465 1099106771 /nfs/dbraw/zinc/10/67/71/1099106771.db2.gz TWMBUFJEFJMLIG-IEZWGBDMSA-N 2 2 301.478 3.058 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001235639465 1099106777 /nfs/dbraw/zinc/10/67/77/1099106777.db2.gz TWMBUFJEFJMLIG-IEZWGBDMSA-N 2 2 301.478 3.058 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CC(C)(C)CO)C2)C1 ZINC001277963795 1099137427 /nfs/dbraw/zinc/13/74/27/1099137427.db2.gz UOYAATHZRQXZQZ-QGZVFWFLSA-N 2 2 310.526 3.229 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CC(C)(C)CO)C2)C1 ZINC001277963795 1099137432 /nfs/dbraw/zinc/13/74/32/1099137432.db2.gz UOYAATHZRQXZQZ-QGZVFWFLSA-N 2 2 310.526 3.229 20 0 DGADLP Fc1ccccc1-c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cn1 ZINC001235713020 1099141535 /nfs/dbraw/zinc/14/15/35/1099141535.db2.gz GEKVHEOIRNJGQJ-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP Fc1ccccc1-c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cn1 ZINC001235713020 1099141537 /nfs/dbraw/zinc/14/15/37/1099141537.db2.gz GEKVHEOIRNJGQJ-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP CC[NH2+]C1CC[NH+](Cc2cc(C)cc(OC(F)(F)F)c2)CC1 ZINC001235725426 1099147798 /nfs/dbraw/zinc/14/77/98/1099147798.db2.gz HCGBMZQXZZRVNK-UHFFFAOYSA-N 2 2 316.367 3.468 20 0 DGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705962 1099179225 /nfs/dbraw/zinc/17/92/25/1099179225.db2.gz QCDBTEWYISWBSR-IAGOWNOFSA-N 2 2 322.497 3.147 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cc(C)cc(OC(F)(F)F)c2)CC1 ZINC001235788527 1099179842 /nfs/dbraw/zinc/17/98/42/1099179842.db2.gz HKVSSGFYTFRFSE-UHFFFAOYSA-N 2 2 302.340 3.077 20 0 DGADLP COCCC[N@H+](Cc1csc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001235806389 1099187952 /nfs/dbraw/zinc/18/79/52/1099187952.db2.gz NOSMUXDWZVEVMC-INIZCTEOSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@@H+](Cc1csc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001235806389 1099187956 /nfs/dbraw/zinc/18/79/56/1099187956.db2.gz NOSMUXDWZVEVMC-INIZCTEOSA-N 2 2 318.486 3.492 20 0 DGADLP CCc1cc(C[N@H+](CCCOC)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001235811086 1099191045 /nfs/dbraw/zinc/19/10/45/1099191045.db2.gz SCMKPOQBLWLFKF-KRWDZBQOSA-N 2 2 324.896 3.493 20 0 DGADLP CCc1cc(C[N@@H+](CCCOC)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001235811086 1099191047 /nfs/dbraw/zinc/19/10/47/1099191047.db2.gz SCMKPOQBLWLFKF-KRWDZBQOSA-N 2 2 324.896 3.493 20 0 DGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179777526 1099194764 /nfs/dbraw/zinc/19/47/64/1099194764.db2.gz ZEUWCMNOTGYHTQ-MRXNPFEDSA-N 2 2 322.497 3.045 20 0 DGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179777526 1099194770 /nfs/dbraw/zinc/19/47/70/1099194770.db2.gz ZEUWCMNOTGYHTQ-MRXNPFEDSA-N 2 2 322.497 3.045 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4sc(C)nc4c3)C[C@@H]2C1 ZINC001235855558 1099217031 /nfs/dbraw/zinc/21/70/31/1099217031.db2.gz AOLDYXUETPIFGX-IYBDPMFKSA-N 2 2 315.486 3.378 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4sc(C)nc4c3)C[C@@H]2C1 ZINC001235855558 1099217041 /nfs/dbraw/zinc/21/70/41/1099217041.db2.gz AOLDYXUETPIFGX-IYBDPMFKSA-N 2 2 315.486 3.378 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4sc(C)nc4c3)C[C@@H]2C1 ZINC001235855558 1099217048 /nfs/dbraw/zinc/21/70/48/1099217048.db2.gz AOLDYXUETPIFGX-IYBDPMFKSA-N 2 2 315.486 3.378 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4sc(C)nc4c3)C[C@@H]2C1 ZINC001235855558 1099217055 /nfs/dbraw/zinc/21/70/55/1099217055.db2.gz AOLDYXUETPIFGX-IYBDPMFKSA-N 2 2 315.486 3.378 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235907732 1099251653 /nfs/dbraw/zinc/25/16/53/1099251653.db2.gz STHGYTFMNGSMRI-DGCLKSJQSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235907732 1099251663 /nfs/dbraw/zinc/25/16/63/1099251663.db2.gz STHGYTFMNGSMRI-DGCLKSJQSA-N 2 2 302.340 3.205 20 0 DGADLP COCC[N@H+](Cc1cc(C)cc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235944156 1099276787 /nfs/dbraw/zinc/27/67/87/1099276787.db2.gz KOHGPMNWKJSELZ-UHFFFAOYSA-N 2 2 310.869 3.157 20 0 DGADLP COCC[N@@H+](Cc1cc(C)cc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235944156 1099276794 /nfs/dbraw/zinc/27/67/94/1099276794.db2.gz KOHGPMNWKJSELZ-UHFFFAOYSA-N 2 2 310.869 3.157 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1c[nH]c2cc(Br)ccc12 ZINC001235947287 1099280727 /nfs/dbraw/zinc/28/07/27/1099280727.db2.gz IHYYOSSHXIFARO-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1c[nH]c2cc(Br)ccc12 ZINC001235947287 1099280737 /nfs/dbraw/zinc/28/07/37/1099280737.db2.gz IHYYOSSHXIFARO-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CCOc1cc(C[N@H+](CC[NH3+])C(C)C)ccc1Br ZINC001235947701 1099280339 /nfs/dbraw/zinc/28/03/39/1099280339.db2.gz OQRYEQWZSHBPFS-UHFFFAOYSA-N 2 2 315.255 3.017 20 0 DGADLP CCOc1cc(C[N@@H+](CC[NH3+])C(C)C)ccc1Br ZINC001235947701 1099280346 /nfs/dbraw/zinc/28/03/46/1099280346.db2.gz OQRYEQWZSHBPFS-UHFFFAOYSA-N 2 2 315.255 3.017 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235958171 1099288618 /nfs/dbraw/zinc/28/86/18/1099288618.db2.gz XLBWHGHZWWRMRV-LBPRGKRZSA-N 2 2 316.367 3.145 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235958171 1099288627 /nfs/dbraw/zinc/28/86/27/1099288627.db2.gz XLBWHGHZWWRMRV-LBPRGKRZSA-N 2 2 316.367 3.145 20 0 DGADLP CC(C)[N@@H+](CC(=O)c1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961557 1099294681 /nfs/dbraw/zinc/29/46/81/1099294681.db2.gz CCUGTHULTOZPIE-HOCLYGCPSA-N 2 2 324.415 3.071 20 0 DGADLP CC(C)[N@H+](CC(=O)c1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235961557 1099294687 /nfs/dbraw/zinc/29/46/87/1099294687.db2.gz CCUGTHULTOZPIE-HOCLYGCPSA-N 2 2 324.415 3.071 20 0 DGADLP CC[N@H+](Cc1cccc(-c2nccs2)c1)[C@H]1CCC[NH2+]C1 ZINC001236007561 1099328307 /nfs/dbraw/zinc/32/83/07/1099328307.db2.gz OEEIQLSGLUVDBW-INIZCTEOSA-N 2 2 301.459 3.384 20 0 DGADLP CC[N@@H+](Cc1cccc(-c2nccs2)c1)[C@H]1CCC[NH2+]C1 ZINC001236007561 1099328318 /nfs/dbraw/zinc/32/83/18/1099328318.db2.gz OEEIQLSGLUVDBW-INIZCTEOSA-N 2 2 301.459 3.384 20 0 DGADLP CC[N@H+](CC1CC(OC)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001180147014 1099329774 /nfs/dbraw/zinc/32/97/74/1099329774.db2.gz CBCMFUCKWCDMJS-UHFFFAOYSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](CC1CC(OC)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001180147014 1099329787 /nfs/dbraw/zinc/32/97/87/1099329787.db2.gz CBCMFUCKWCDMJS-UHFFFAOYSA-N 2 2 317.477 3.045 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3cnc(Cl)c(F)c3)cc1)C2 ZINC001236022334 1099339664 /nfs/dbraw/zinc/33/96/64/1099339664.db2.gz AAZXRCMDTHKHMP-RHSMWYFYSA-N 2 2 317.795 3.074 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3cnc(Cl)c(F)c3)cc1)C2 ZINC001236022334 1099339675 /nfs/dbraw/zinc/33/96/75/1099339675.db2.gz AAZXRCMDTHKHMP-RHSMWYFYSA-N 2 2 317.795 3.074 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236046559 1099349486 /nfs/dbraw/zinc/34/94/86/1099349486.db2.gz HHVDFAQPMNRITQ-IUODEOHRSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236046559 1099349498 /nfs/dbraw/zinc/34/94/98/1099349498.db2.gz HHVDFAQPMNRITQ-IUODEOHRSA-N 2 2 301.459 3.288 20 0 DGADLP CCCCc1[nH]c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c[nH+]1 ZINC001236124006 1099411332 /nfs/dbraw/zinc/41/13/32/1099411332.db2.gz DILYXWDXJWKYOO-QGZVFWFLSA-N 2 2 316.424 3.038 20 0 DGADLP CCCCc1[nH]cc(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)[nH+]1 ZINC001236124006 1099411338 /nfs/dbraw/zinc/41/13/38/1099411338.db2.gz DILYXWDXJWKYOO-QGZVFWFLSA-N 2 2 316.424 3.038 20 0 DGADLP C[N@H+](Cc1ccnc2c(Cl)cccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236207044 1099462441 /nfs/dbraw/zinc/46/24/41/1099462441.db2.gz NKNSGBKNZANDAT-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccnc2c(Cl)cccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236207044 1099462446 /nfs/dbraw/zinc/46/24/46/1099462446.db2.gz NKNSGBKNZANDAT-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@]1(C)CCC[NH2+]C1 ZINC001236208099 1099464466 /nfs/dbraw/zinc/46/44/66/1099464466.db2.gz RAXHPMREWSGMKP-IBGZPJMESA-N 2 2 302.462 3.364 20 0 DGADLP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@]1(C)CCC[NH2+]C1 ZINC001236208099 1099464471 /nfs/dbraw/zinc/46/44/71/1099464471.db2.gz RAXHPMREWSGMKP-IBGZPJMESA-N 2 2 302.462 3.364 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236208021 1099464642 /nfs/dbraw/zinc/46/46/42/1099464642.db2.gz SGHBBYLFMGRBLM-IBGZPJMESA-N 2 2 320.477 3.332 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236208021 1099464650 /nfs/dbraw/zinc/46/46/50/1099464650.db2.gz SGHBBYLFMGRBLM-IBGZPJMESA-N 2 2 320.477 3.332 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209651 1099465771 /nfs/dbraw/zinc/46/57/71/1099465771.db2.gz XYFTWIIBVSLWRJ-SFHVURJKSA-N 2 2 301.434 3.141 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209651 1099465780 /nfs/dbraw/zinc/46/57/80/1099465780.db2.gz XYFTWIIBVSLWRJ-SFHVURJKSA-N 2 2 301.434 3.141 20 0 DGADLP C[N@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216368 1099471547 /nfs/dbraw/zinc/47/15/47/1099471547.db2.gz JUSVAMVUBZJOSL-MSOLQXFVSA-N 2 2 305.441 3.128 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216368 1099471555 /nfs/dbraw/zinc/47/15/55/1099471555.db2.gz JUSVAMVUBZJOSL-MSOLQXFVSA-N 2 2 305.441 3.128 20 0 DGADLP C[N@H+](Cc1ccc(O)cc1C(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217339 1099473947 /nfs/dbraw/zinc/47/39/47/1099473947.db2.gz OBJZGTSVQJUNIP-ZIAGYGMSSA-N 2 2 302.340 3.113 20 0 DGADLP C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217339 1099473953 /nfs/dbraw/zinc/47/39/53/1099473953.db2.gz OBJZGTSVQJUNIP-ZIAGYGMSSA-N 2 2 302.340 3.113 20 0 DGADLP COc1cc(C)cc(F)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001236222804 1099479877 /nfs/dbraw/zinc/47/98/77/1099479877.db2.gz ONIXKGSUDQPROJ-UHFFFAOYSA-N 2 2 311.360 3.144 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220869 1099480404 /nfs/dbraw/zinc/48/04/04/1099480404.db2.gz ZXVFQOCHZLUQHM-IAGOWNOFSA-N 2 2 318.461 3.344 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220869 1099480409 /nfs/dbraw/zinc/48/04/09/1099480409.db2.gz ZXVFQOCHZLUQHM-IAGOWNOFSA-N 2 2 318.461 3.344 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236241967 1099497164 /nfs/dbraw/zinc/49/71/64/1099497164.db2.gz VICKPAHJJPQMIC-LJQANCHMSA-N 2 2 307.441 3.465 20 0 DGADLP c1ccc(-c2cccnc2)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236241967 1099497173 /nfs/dbraw/zinc/49/71/73/1099497173.db2.gz VICKPAHJJPQMIC-LJQANCHMSA-N 2 2 307.441 3.465 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001236252171 1099503353 /nfs/dbraw/zinc/50/33/53/1099503353.db2.gz FUPFCLVNEYTBRI-MRXNPFEDSA-N 2 2 301.821 3.325 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001236252171 1099503363 /nfs/dbraw/zinc/50/33/63/1099503363.db2.gz FUPFCLVNEYTBRI-MRXNPFEDSA-N 2 2 301.821 3.325 20 0 DGADLP c1cn2ccc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001236268654 1099510123 /nfs/dbraw/zinc/51/01/23/1099510123.db2.gz CIIGYAMIYDDOMG-LJQANCHMSA-N 2 2 320.440 3.089 20 0 DGADLP COc1cccc(CC[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC001236270147 1099511547 /nfs/dbraw/zinc/51/15/47/1099511547.db2.gz QRTUCYKBJZJSMH-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP COc1cccc(CC[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC001236270147 1099511559 /nfs/dbraw/zinc/51/15/59/1099511559.db2.gz QRTUCYKBJZJSMH-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP CC[N@@H+](Cc1c(C)cccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236410222 1099584589 /nfs/dbraw/zinc/58/45/89/1099584589.db2.gz GJLFDZLMLZDKMI-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1c(C)cccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236410222 1099584602 /nfs/dbraw/zinc/58/46/02/1099584602.db2.gz GJLFDZLMLZDKMI-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001236421200 1099596673 /nfs/dbraw/zinc/59/66/73/1099596673.db2.gz CWJJDMZOZIRXSK-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001236421200 1099596687 /nfs/dbraw/zinc/59/66/87/1099596687.db2.gz CWJJDMZOZIRXSK-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001236432574 1099607392 /nfs/dbraw/zinc/60/73/92/1099607392.db2.gz AQCZJQDISGBUFM-ZFWWWQNUSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001236432574 1099607395 /nfs/dbraw/zinc/60/73/95/1099607395.db2.gz AQCZJQDISGBUFM-ZFWWWQNUSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001236432572 1099607703 /nfs/dbraw/zinc/60/77/03/1099607703.db2.gz AQCZJQDISGBUFM-HIFRSBDPSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001236432572 1099607707 /nfs/dbraw/zinc/60/77/07/1099607707.db2.gz AQCZJQDISGBUFM-HIFRSBDPSA-N 2 2 314.351 3.474 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435098 1099610618 /nfs/dbraw/zinc/61/06/18/1099610618.db2.gz RSOAOAMNQYDJEF-SFHVURJKSA-N 2 2 302.393 3.111 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435098 1099610627 /nfs/dbraw/zinc/61/06/27/1099610627.db2.gz RSOAOAMNQYDJEF-SFHVURJKSA-N 2 2 302.393 3.111 20 0 DGADLP CC(C)(C)C[N@H+](Cc1ccc(O)c(F)c1F)C1CC[NH2+]CC1 ZINC001236458604 1099621923 /nfs/dbraw/zinc/62/19/23/1099621923.db2.gz ZAVCUNGDHQETPL-UHFFFAOYSA-N 2 2 312.404 3.271 20 0 DGADLP CC(C)(C)C[N@@H+](Cc1ccc(O)c(F)c1F)C1CC[NH2+]CC1 ZINC001236458604 1099621945 /nfs/dbraw/zinc/62/19/45/1099621945.db2.gz ZAVCUNGDHQETPL-UHFFFAOYSA-N 2 2 312.404 3.271 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1C[NH2+]CCO1 ZINC001236661757 1099730727 /nfs/dbraw/zinc/73/07/27/1099730727.db2.gz GEBRQCJIPQXHCE-RTBURBONSA-N 2 2 304.478 3.098 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1C[NH2+]CCO1 ZINC001236661757 1099730735 /nfs/dbraw/zinc/73/07/35/1099730735.db2.gz GEBRQCJIPQXHCE-RTBURBONSA-N 2 2 304.478 3.098 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236832594 1099816920 /nfs/dbraw/zinc/81/69/20/1099816920.db2.gz VVNREOPKUVYWGJ-ISOBSLSZSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236832594 1099816927 /nfs/dbraw/zinc/81/69/27/1099816927.db2.gz VVNREOPKUVYWGJ-ISOBSLSZSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236832593 1099818230 /nfs/dbraw/zinc/81/82/30/1099818230.db2.gz VVNREOPKUVYWGJ-CCUNJIBTSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236832593 1099818240 /nfs/dbraw/zinc/81/82/40/1099818240.db2.gz VVNREOPKUVYWGJ-CCUNJIBTSA-N 2 2 315.244 3.171 20 0 DGADLP CCC[N@@H+](Cc1ccccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236836244 1099823077 /nfs/dbraw/zinc/82/30/77/1099823077.db2.gz TYSXCPJKXDDAJW-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP CCC[N@H+](Cc1ccccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236836244 1099823085 /nfs/dbraw/zinc/82/30/85/1099823085.db2.gz TYSXCPJKXDDAJW-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP C[NH+](C)[C@@H]1CCCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236903914 1099865443 /nfs/dbraw/zinc/86/54/43/1099865443.db2.gz JVWFKBAQODDYBA-OAHLLOKOSA-N 2 2 318.852 3.052 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912336 1099870597 /nfs/dbraw/zinc/87/05/97/1099870597.db2.gz PUBNVDJLYTWGIG-PBHICJAKSA-N 2 2 317.820 3.137 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236912336 1099870601 /nfs/dbraw/zinc/87/06/01/1099870601.db2.gz PUBNVDJLYTWGIG-PBHICJAKSA-N 2 2 317.820 3.137 20 0 DGADLP CC[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1C ZINC001236911266 1099871540 /nfs/dbraw/zinc/87/15/40/1099871540.db2.gz XHDGRPKDXMMJFM-CQSZACIVSA-N 2 2 318.852 3.052 20 0 DGADLP CC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H]1C ZINC001236911266 1099871545 /nfs/dbraw/zinc/87/15/45/1099871545.db2.gz XHDGRPKDXMMJFM-CQSZACIVSA-N 2 2 318.852 3.052 20 0 DGADLP Clc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1-n1cc[nH+]c1 ZINC001236913555 1099872922 /nfs/dbraw/zinc/87/29/22/1099872922.db2.gz IDCKLRMYPJITIA-UHFFFAOYSA-N 2 2 317.820 3.281 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C[C@@]1(C)O ZINC001236913823 1099874870 /nfs/dbraw/zinc/87/48/70/1099874870.db2.gz OSWAUHKKXVSECL-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP [NH3+]CCCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042565 1099940410 /nfs/dbraw/zinc/94/04/10/1099940410.db2.gz NXDLZBMWCAOMPA-OAHLLOKOSA-N 2 2 314.395 3.454 20 0 DGADLP [NH3+]CCCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042565 1099940421 /nfs/dbraw/zinc/94/04/21/1099940421.db2.gz NXDLZBMWCAOMPA-OAHLLOKOSA-N 2 2 314.395 3.454 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001237056335 1099946843 /nfs/dbraw/zinc/94/68/43/1099946843.db2.gz HYZYSGHCPHTLQQ-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001237056335 1099946854 /nfs/dbraw/zinc/94/68/54/1099946854.db2.gz HYZYSGHCPHTLQQ-AWEZNQCLSA-N 2 2 320.330 3.285 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057372 1099950600 /nfs/dbraw/zinc/95/06/00/1099950600.db2.gz LGNWSVFXBMLEHL-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057372 1099950607 /nfs/dbraw/zinc/95/06/07/1099950607.db2.gz LGNWSVFXBMLEHL-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP FC(F)Oc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237144106 1099997364 /nfs/dbraw/zinc/99/73/64/1099997364.db2.gz JCEKQDNUWDWBEY-OAHLLOKOSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237144106 1099997374 /nfs/dbraw/zinc/99/73/74/1099997374.db2.gz JCEKQDNUWDWBEY-OAHLLOKOSA-N 2 2 310.388 3.395 20 0 DGADLP c1nc2cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2s1 ZINC001237157083 1100006597 /nfs/dbraw/zinc/00/65/97/1100006597.db2.gz QWBCHKMPVZITST-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2s1 ZINC001237157083 1100006607 /nfs/dbraw/zinc/00/66/07/1100006607.db2.gz QWBCHKMPVZITST-HNNXBMFYSA-N 2 2 301.459 3.403 20 0 DGADLP S=C1C=COC1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001237178731 1100015804 /nfs/dbraw/zinc/01/58/04/1100015804.db2.gz ZLGYZZGABGHAIL-STQMWFEESA-N 2 2 320.483 3.194 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C[C@H]3C)cc2)cc1 ZINC001237203974 1100032293 /nfs/dbraw/zinc/03/22/93/1100032293.db2.gz JCGYPVBHHIUYEH-KUHUBIRLSA-N 2 2 324.424 3.062 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])C[C@H]3C)cc2)cc1 ZINC001237203974 1100032298 /nfs/dbraw/zinc/03/22/98/1100032298.db2.gz JCGYPVBHHIUYEH-KUHUBIRLSA-N 2 2 324.424 3.062 20 0 DGADLP Oc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237274914 1100054774 /nfs/dbraw/zinc/05/47/74/1100054774.db2.gz HJBFUCPQSQSJBE-UHFFFAOYSA-N 2 2 308.425 3.029 20 0 DGADLP COCC[N@H+](Cc1c(C)cc(Cl)cc1C)C1CC[NH+](C)CC1 ZINC001237357005 1100092502 /nfs/dbraw/zinc/09/25/02/1100092502.db2.gz XLVAFDXBZAGBFN-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP COCC[N@@H+](Cc1c(C)cc(Cl)cc1C)C1CC[NH+](C)CC1 ZINC001237357005 1100092511 /nfs/dbraw/zinc/09/25/11/1100092511.db2.gz XLVAFDXBZAGBFN-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237395113 1100109258 /nfs/dbraw/zinc/10/92/58/1100109258.db2.gz XDAHFLLRYHESAR-XJKSGUPXSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237395113 1100109261 /nfs/dbraw/zinc/10/92/61/1100109261.db2.gz XDAHFLLRYHESAR-XJKSGUPXSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccnc2cccc(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)c12 ZINC001237624374 1100192706 /nfs/dbraw/zinc/19/27/06/1100192706.db2.gz IHNDAGHYQSMQDV-UHFFFAOYSA-N 2 2 321.468 3.461 20 0 DGADLP Cc1ccnc2cccc(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)c12 ZINC001237624374 1100192710 /nfs/dbraw/zinc/19/27/10/1100192710.db2.gz IHNDAGHYQSMQDV-UHFFFAOYSA-N 2 2 321.468 3.461 20 0 DGADLP COc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001237712697 1100223501 /nfs/dbraw/zinc/22/35/01/1100223501.db2.gz FGLKBRMXPRALDJ-SFHVURJKSA-N 2 2 312.413 3.360 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3c2OCC3)CC1 ZINC001237745684 1100236506 /nfs/dbraw/zinc/23/65/06/1100236506.db2.gz BYMPYFNQFAIWOD-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2OCC3)CC1 ZINC001237745684 1100236511 /nfs/dbraw/zinc/23/65/11/1100236511.db2.gz BYMPYFNQFAIWOD-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc21 ZINC001237880492 1100277291 /nfs/dbraw/zinc/27/72/91/1100277291.db2.gz GOBCDETVJHUIII-HUUCEWRRSA-N 2 2 300.446 3.297 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC(=O)[C@H](F)CC3)cc21 ZINC001237880692 1100280926 /nfs/dbraw/zinc/28/09/26/1100280926.db2.gz IRYKODGYLQWJQT-QGZVFWFLSA-N 2 2 316.420 3.191 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC(=O)[C@H](F)CC3)cc21 ZINC001237880692 1100280933 /nfs/dbraw/zinc/28/09/33/1100280933.db2.gz IRYKODGYLQWJQT-QGZVFWFLSA-N 2 2 316.420 3.191 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911762 1100292040 /nfs/dbraw/zinc/29/20/40/1100292040.db2.gz GGSPCBHQAQPVSE-AZUAARDMSA-N 2 2 314.473 3.107 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911762 1100292043 /nfs/dbraw/zinc/29/20/43/1100292043.db2.gz GGSPCBHQAQPVSE-AZUAARDMSA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911762 1100292049 /nfs/dbraw/zinc/29/20/49/1100292049.db2.gz GGSPCBHQAQPVSE-AZUAARDMSA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CCOCC3)C[C@H]21 ZINC001237911762 1100292053 /nfs/dbraw/zinc/29/20/53/1100292053.db2.gz GGSPCBHQAQPVSE-AZUAARDMSA-N 2 2 314.473 3.107 20 0 DGADLP FC(F)(F)c1n[nH]c2c1CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238105096 1100361405 /nfs/dbraw/zinc/36/14/05/1100361405.db2.gz CJIRWYRVRYZYPV-CQSZACIVSA-N 2 2 321.306 3.191 20 0 DGADLP FC(F)(F)c1n[nH]c2c1CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238105096 1100361416 /nfs/dbraw/zinc/36/14/16/1100361416.db2.gz CJIRWYRVRYZYPV-CQSZACIVSA-N 2 2 321.306 3.191 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC001238491481 1100457591 /nfs/dbraw/zinc/45/75/91/1100457591.db2.gz DZIIXRIVLHWTLE-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC001238491481 1100457594 /nfs/dbraw/zinc/45/75/94/1100457594.db2.gz DZIIXRIVLHWTLE-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCCCOc1ncc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC001238491481 1100457600 /nfs/dbraw/zinc/45/76/00/1100457600.db2.gz DZIIXRIVLHWTLE-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCCCOc1ncc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC001238491481 1100457604 /nfs/dbraw/zinc/45/76/04/1100457604.db2.gz DZIIXRIVLHWTLE-IBGZPJMESA-N 2 2 317.477 3.097 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238515690 1100463541 /nfs/dbraw/zinc/46/35/41/1100463541.db2.gz KQEYDSNCVGMFJQ-IRXDYDNUSA-N 2 2 302.437 3.477 20 0 DGADLP CC(C)Oc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cnc1F ZINC001238596056 1100478512 /nfs/dbraw/zinc/47/85/12/1100478512.db2.gz QFCQPRMYVHLBQK-UHFFFAOYSA-N 2 2 323.456 3.313 20 0 DGADLP CC(C)Oc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cnc1F ZINC001238596056 1100478515 /nfs/dbraw/zinc/47/85/15/1100478515.db2.gz QFCQPRMYVHLBQK-UHFFFAOYSA-N 2 2 323.456 3.313 20 0 DGADLP CC[N@H+](Cc1cc(F)cc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001238699834 1100506427 /nfs/dbraw/zinc/50/64/27/1100506427.db2.gz BPNPCWXKGBCTKR-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP CC[N@@H+](Cc1cc(F)cc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC001238699834 1100506430 /nfs/dbraw/zinc/50/64/30/1100506430.db2.gz BPNPCWXKGBCTKR-UHFFFAOYSA-N 2 2 319.468 3.342 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001192271000 1100595957 /nfs/dbraw/zinc/59/59/57/1100595957.db2.gz ASZOJGHWROFGRD-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC001192271000 1100595960 /nfs/dbraw/zinc/59/59/60/1100595960.db2.gz ASZOJGHWROFGRD-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001240119107 1100870950 /nfs/dbraw/zinc/87/09/50/1100870950.db2.gz FLBWTMMJEWFOBN-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001240119107 1100870956 /nfs/dbraw/zinc/87/09/56/1100870956.db2.gz FLBWTMMJEWFOBN-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1c(-c2cccc(CC[NH+]3CCOCC3)c2)ccc2[nH+]ccn21 ZINC001240276788 1100919812 /nfs/dbraw/zinc/91/98/12/1100919812.db2.gz HLFZQTQXOYVPEL-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccnc(C(F)(F)F)c3)cc2)C1 ZINC001240341330 1100948403 /nfs/dbraw/zinc/94/84/03/1100948403.db2.gz LVARGALMBATFGR-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccnc(C(F)(F)F)c3)cc2)C1 ZINC001240341330 1100948409 /nfs/dbraw/zinc/94/84/09/1100948409.db2.gz LVARGALMBATFGR-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755133 1101007727 /nfs/dbraw/zinc/00/77/27/1101007727.db2.gz NHTHADZOBRMRCQ-OAQYLSRUSA-N 2 2 324.468 3.024 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755133 1101007736 /nfs/dbraw/zinc/00/77/36/1101007736.db2.gz NHTHADZOBRMRCQ-OAQYLSRUSA-N 2 2 324.468 3.024 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755133 1101007744 /nfs/dbraw/zinc/00/77/44/1101007744.db2.gz NHTHADZOBRMRCQ-OAQYLSRUSA-N 2 2 324.468 3.024 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001194755133 1101007753 /nfs/dbraw/zinc/00/77/53/1101007753.db2.gz NHTHADZOBRMRCQ-OAQYLSRUSA-N 2 2 324.468 3.024 20 0 DGADLP CC[NH+](CC)c1ccc(C)c(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC001240492281 1101020464 /nfs/dbraw/zinc/02/04/64/1101020464.db2.gz YWMXFOHSMGUHPS-UHFFFAOYSA-N 2 2 324.472 3.313 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(N4CCCC4)c3)c2)C1 ZINC001240537404 1101039999 /nfs/dbraw/zinc/03/99/99/1101039999.db2.gz RAXRUEJMSJTJID-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(N4CCCC4)c3)c2)C1 ZINC001240537404 1101040007 /nfs/dbraw/zinc/04/00/07/1101040007.db2.gz RAXRUEJMSJTJID-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP Cn1ccc2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc21 ZINC001240574015 1101055798 /nfs/dbraw/zinc/05/57/98/1101055798.db2.gz OPAGXECIXMXYCQ-UHFFFAOYSA-N 2 2 302.381 3.180 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(N3CCCC3)cc2)C1 ZINC001240591295 1101064038 /nfs/dbraw/zinc/06/40/38/1101064038.db2.gz FZRRXLUZSTVSGT-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(N3CCCC3)cc2)C1 ZINC001240591295 1101064047 /nfs/dbraw/zinc/06/40/47/1101064047.db2.gz FZRRXLUZSTVSGT-LJQANCHMSA-N 2 2 321.468 3.487 20 0 DGADLP CC(C)OC(=O)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001195603818 1101159609 /nfs/dbraw/zinc/15/96/09/1101159609.db2.gz DBVKLZZSXQQIPN-DLBZAZTESA-N 2 2 312.498 3.205 20 0 DGADLP CC(C)OC(=O)C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001195603818 1101159616 /nfs/dbraw/zinc/15/96/16/1101159616.db2.gz DBVKLZZSXQQIPN-DLBZAZTESA-N 2 2 312.498 3.205 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(OC(C)C)c1 ZINC001278321224 1101169431 /nfs/dbraw/zinc/16/94/31/1101169431.db2.gz HCVKYLBDEIFUNQ-MQVJKMGUSA-N 2 2 306.425 3.328 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(OC(C)C)c1 ZINC001278321224 1101169436 /nfs/dbraw/zinc/16/94/36/1101169436.db2.gz HCVKYLBDEIFUNQ-MQVJKMGUSA-N 2 2 306.425 3.328 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cc(F)c(F)c(F)c3)c2)C1 ZINC001240983080 1101209364 /nfs/dbraw/zinc/20/93/64/1101209364.db2.gz QQTNYGDWQIPAGY-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cc(F)c(F)c(F)c3)c2)C1 ZINC001240983080 1101209372 /nfs/dbraw/zinc/20/93/72/1101209372.db2.gz QQTNYGDWQIPAGY-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cc(F)c(F)c(F)c3)c2)C1 ZINC001240983081 1101209516 /nfs/dbraw/zinc/20/95/16/1101209516.db2.gz QQTNYGDWQIPAGY-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cc(F)c(F)c(F)c3)c2)C1 ZINC001240983081 1101209520 /nfs/dbraw/zinc/20/95/20/1101209520.db2.gz QQTNYGDWQIPAGY-CQSZACIVSA-N 2 2 306.331 3.304 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001241086609 1101248684 /nfs/dbraw/zinc/24/86/84/1101248684.db2.gz DBAVUCKYXKEAHW-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001241086609 1101248688 /nfs/dbraw/zinc/24/86/88/1101248688.db2.gz DBAVUCKYXKEAHW-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001241141515 1101273005 /nfs/dbraw/zinc/27/30/05/1101273005.db2.gz PQUVABSRFBMHSL-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001241141515 1101273011 /nfs/dbraw/zinc/27/30/11/1101273011.db2.gz PQUVABSRFBMHSL-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(F)cc(F)cc3F)cc2)C1 ZINC001241172600 1101284906 /nfs/dbraw/zinc/28/49/06/1101284906.db2.gz OGLSVKZPGWYIMN-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(F)cc(F)cc3F)cc2)C1 ZINC001241172600 1101284911 /nfs/dbraw/zinc/28/49/11/1101284911.db2.gz OGLSVKZPGWYIMN-AWEZNQCLSA-N 2 2 306.331 3.304 20 0 DGADLP c1nc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc2s1 ZINC001241867105 1101756406 /nfs/dbraw/zinc/75/64/06/1101756406.db2.gz QJAKELIVELAYGR-UHFFFAOYSA-N 2 2 306.394 3.298 20 0 DGADLP Cc1cc(-c2cccc3cc([C@@H]4C[NH2+]CCO4)cn32)cc(C)[nH+]1 ZINC001241994481 1101842120 /nfs/dbraw/zinc/84/21/20/1101842120.db2.gz UXWJYGDOKRMULV-IBGZPJMESA-N 2 2 307.397 3.279 20 0 DGADLP CCc1[nH]c(C[NH+]2CCC3(CC2)OCc2ccccc23)c(C)[nH+]1 ZINC001203244365 1102025186 /nfs/dbraw/zinc/02/51/86/1102025186.db2.gz XCPCWOGAQAWAKG-UHFFFAOYSA-N 2 2 311.429 3.302 20 0 DGADLP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC001198942767 1102032197 /nfs/dbraw/zinc/03/21/97/1102032197.db2.gz CKCUYZMNSPJGGA-UHFFFAOYSA-N 2 2 316.405 3.020 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC001199220298 1102086022 /nfs/dbraw/zinc/08/60/22/1102086022.db2.gz ZHBYXGOZVRLSKS-UHFFFAOYSA-N 2 2 320.440 3.428 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001199421577 1102130688 /nfs/dbraw/zinc/13/06/88/1102130688.db2.gz WPRYNGIONIVEAS-UHFFFAOYSA-N 2 2 312.461 3.429 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)C1 ZINC001242441709 1102136463 /nfs/dbraw/zinc/13/64/63/1102136463.db2.gz KFTGVBSFQGFPIZ-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)C1 ZINC001242441709 1102136468 /nfs/dbraw/zinc/13/64/68/1102136468.db2.gz KFTGVBSFQGFPIZ-MRXNPFEDSA-N 2 2 318.367 3.488 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3cc[nH]c3c2)cn1 ZINC001199472478 1102140186 /nfs/dbraw/zinc/14/01/86/1102140186.db2.gz MGUALFQRKKUNCP-UHFFFAOYSA-N 2 2 317.396 3.347 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2OC2CC2)C1 ZINC001242794702 1102347997 /nfs/dbraw/zinc/34/79/97/1102347997.db2.gz MDTAAMMWFONIOT-INIZCTEOSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2OC2CC2)C1 ZINC001242794702 1102348011 /nfs/dbraw/zinc/34/80/11/1102348011.db2.gz MDTAAMMWFONIOT-INIZCTEOSA-N 2 2 308.425 3.428 20 0 DGADLP Clc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(Cl)n1 ZINC001243087006 1102515831 /nfs/dbraw/zinc/51/58/31/1102515831.db2.gz WIUZFCCEUIBXML-UHFFFAOYSA-N 2 2 319.195 3.390 20 0 DGADLP CCC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543408 1102631667 /nfs/dbraw/zinc/63/16/67/1102631667.db2.gz GGMHRXYDUSKYKX-UHOSZYNNSA-N 2 2 301.478 3.272 20 0 DGADLP CCC[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543408 1102631671 /nfs/dbraw/zinc/63/16/71/1102631671.db2.gz GGMHRXYDUSKYKX-UHOSZYNNSA-N 2 2 301.478 3.272 20 0 DGADLP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543408 1102631676 /nfs/dbraw/zinc/63/16/76/1102631676.db2.gz GGMHRXYDUSKYKX-UHOSZYNNSA-N 2 2 301.478 3.272 20 0 DGADLP CCC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201543408 1102631681 /nfs/dbraw/zinc/63/16/81/1102631681.db2.gz GGMHRXYDUSKYKX-UHOSZYNNSA-N 2 2 301.478 3.272 20 0 DGADLP Clc1cc2n[nH]cc2c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001243315069 1102654378 /nfs/dbraw/zinc/65/43/78/1102654378.db2.gz FVPSUUJGLOVURJ-UHFFFAOYSA-N 2 2 323.787 3.218 20 0 DGADLP Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001201586853 1102662519 /nfs/dbraw/zinc/66/25/19/1102662519.db2.gz GEYLXWYEQPATRO-NSHDSACASA-N 2 2 316.430 3.432 20 0 DGADLP c1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001201654701 1102687676 /nfs/dbraw/zinc/68/76/76/1102687676.db2.gz IOXSCWAGPZDSHX-NHCUHLMSSA-N 2 2 321.468 3.078 20 0 DGADLP Nc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1Cl ZINC001243375001 1102691229 /nfs/dbraw/zinc/69/12/29/1102691229.db2.gz ORURPURICPSBDH-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1Cl ZINC001243375001 1102691233 /nfs/dbraw/zinc/69/12/33/1102691233.db2.gz ORURPURICPSBDH-AWEZNQCLSA-N 2 2 301.821 3.122 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC001201929768 1102753013 /nfs/dbraw/zinc/75/30/13/1102753013.db2.gz RQIIXNCUCBITFU-LLVKDONJSA-N 2 2 304.444 3.284 20 0 DGADLP c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001243900309 1103039518 /nfs/dbraw/zinc/03/95/18/1103039518.db2.gz UUXYFRYOKODNHK-SFHVURJKSA-N 2 2 309.413 3.010 20 0 DGADLP Cc1nc2ccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc2o1 ZINC001243965331 1103088930 /nfs/dbraw/zinc/08/89/30/1103088930.db2.gz VLDZXJTVEYXUKH-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1nc2ccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc2o1 ZINC001243965331 1103088945 /nfs/dbraw/zinc/08/89/45/1103088945.db2.gz VLDZXJTVEYXUKH-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000052049623 1103115072 /nfs/dbraw/zinc/11/50/72/1103115072.db2.gz OGVCZIKWZIAEMW-UHFFFAOYSA-N 2 2 304.478 3.488 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC001325876572 1103145100 /nfs/dbraw/zinc/14/51/00/1103145100.db2.gz BFCOUOPKIRSWNA-QWHCGFSZSA-N 2 2 302.353 3.043 20 0 DGADLP CN(C)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)s1 ZINC001138489784 1103159296 /nfs/dbraw/zinc/15/92/96/1103159296.db2.gz QLRMBCNXXKCKNT-UHFFFAOYSA-N 2 2 307.507 3.264 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244139375 1103232354 /nfs/dbraw/zinc/23/23/54/1103232354.db2.gz KCEXOFSYJDBICA-UHFFFAOYSA-N 2 2 304.397 3.269 20 0 DGADLP COCc1ccc(C)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244173402 1103253335 /nfs/dbraw/zinc/25/33/35/1103253335.db2.gz UAPHHOYWCHFMSH-LJQANCHMSA-N 2 2 310.441 3.341 20 0 DGADLP COCc1ccc(C)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244173402 1103253340 /nfs/dbraw/zinc/25/33/40/1103253340.db2.gz UAPHHOYWCHFMSH-LJQANCHMSA-N 2 2 310.441 3.341 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001326506193 1103347062 /nfs/dbraw/zinc/34/70/62/1103347062.db2.gz PKSCHFMKINYIPM-CABCVRRESA-N 2 2 310.401 3.341 20 0 DGADLP CC(C)c1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1N ZINC001244324130 1103361811 /nfs/dbraw/zinc/36/18/11/1103361811.db2.gz VYCSQOBSHYGAML-UHFFFAOYSA-N 2 2 306.413 3.394 20 0 DGADLP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CCC1 ZINC001490337694 1103573822 /nfs/dbraw/zinc/57/38/22/1103573822.db2.gz KVNQMULZMQADDW-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CCC1 ZINC001490337694 1103573829 /nfs/dbraw/zinc/57/38/29/1103573829.db2.gz KVNQMULZMQADDW-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP C[NH+]1CCC2(CCCN(c3[nH+]ccc4c(N)cccc43)C2)CC1 ZINC001327680124 1103704165 /nfs/dbraw/zinc/70/41/65/1103704165.db2.gz VIQFQRXSZHTIST-UHFFFAOYSA-N 2 2 310.445 3.129 20 0 DGADLP Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)[nH+]c2ccccc12 ZINC001327744029 1103720327 /nfs/dbraw/zinc/72/03/27/1103720327.db2.gz VCHRJAPOBSAZKQ-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC001461614807 1103791199 /nfs/dbraw/zinc/79/11/99/1103791199.db2.gz BKWQBCYEUKJJDB-UHFFFAOYSA-N 2 2 313.436 3.098 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC001461614807 1103791210 /nfs/dbraw/zinc/79/12/10/1103791210.db2.gz BKWQBCYEUKJJDB-UHFFFAOYSA-N 2 2 313.436 3.098 20 0 DGADLP Cc1noc2ccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001245282387 1103960964 /nfs/dbraw/zinc/96/09/64/1103960964.db2.gz PNRBILOBMLDEAX-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1noc2ccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc12 ZINC001245282387 1103960975 /nfs/dbraw/zinc/96/09/75/1103960975.db2.gz PNRBILOBMLDEAX-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)ncc1C[NH+]1CCOCC1 ZINC001245347185 1103995880 /nfs/dbraw/zinc/99/58/80/1103995880.db2.gz QGSASFRLYYTVJX-LJQANCHMSA-N 2 2 323.440 3.005 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358643 1104005443 /nfs/dbraw/zinc/00/54/43/1104005443.db2.gz XOJLAUYEZZOJMW-SFTDATJTSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358643 1104005453 /nfs/dbraw/zinc/00/54/53/1104005453.db2.gz XOJLAUYEZZOJMW-SFTDATJTSA-N 3 2 321.468 3.311 20 0 DGADLP Cc1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001137154552 1104019754 /nfs/dbraw/zinc/01/97/54/1104019754.db2.gz LBMIAGZLMYZNBJ-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001137154552 1104019763 /nfs/dbraw/zinc/01/97/63/1104019763.db2.gz LBMIAGZLMYZNBJ-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001137154552 1104019770 /nfs/dbraw/zinc/01/97/70/1104019770.db2.gz LBMIAGZLMYZNBJ-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001137154552 1104019777 /nfs/dbraw/zinc/01/97/77/1104019777.db2.gz LBMIAGZLMYZNBJ-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c[nH+]c1N ZINC001245538777 1104110353 /nfs/dbraw/zinc/11/03/53/1104110353.db2.gz GSUYUYURIZHDFA-QZTJIDSGSA-N 2 2 311.429 3.426 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)sc2C1 ZINC001329161568 1104174596 /nfs/dbraw/zinc/17/45/96/1104174596.db2.gz NRRQELHOSSCCAU-ZIAGYGMSSA-N 2 2 307.507 3.089 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)sc2C1 ZINC001329161568 1104174600 /nfs/dbraw/zinc/17/46/00/1104174600.db2.gz NRRQELHOSSCCAU-ZIAGYGMSSA-N 2 2 307.507 3.089 20 0 DGADLP Cc1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC001329223346 1104193393 /nfs/dbraw/zinc/19/33/93/1104193393.db2.gz OXJYHKPRMNMKLG-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP Cc1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC001329223346 1104193394 /nfs/dbraw/zinc/19/33/94/1104193394.db2.gz OXJYHKPRMNMKLG-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP CCCCC[C@H](O)C[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246052442 1104359278 /nfs/dbraw/zinc/35/92/78/1104359278.db2.gz LLZBCZYPFFCYAR-OALUTQOASA-N 2 2 304.478 3.182 20 0 DGADLP CCCCC[C@H](O)C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246052442 1104359289 /nfs/dbraw/zinc/35/92/89/1104359289.db2.gz LLZBCZYPFFCYAR-OALUTQOASA-N 2 2 304.478 3.182 20 0 DGADLP CCCC[C@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246064724 1104364782 /nfs/dbraw/zinc/36/47/82/1104364782.db2.gz UIJLQUVYAUSCCI-KRWDZBQOSA-N 2 2 324.896 3.445 20 0 DGADLP CCCC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246064724 1104364793 /nfs/dbraw/zinc/36/47/93/1104364793.db2.gz UIJLQUVYAUSCCI-KRWDZBQOSA-N 2 2 324.896 3.445 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC[NH2+]1 ZINC001246074049 1104366289 /nfs/dbraw/zinc/36/62/89/1104366289.db2.gz ALUBKTFHJVVDJX-OLZOCXBDSA-N 2 2 315.230 3.208 20 0 DGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246097329 1104383630 /nfs/dbraw/zinc/38/36/30/1104383630.db2.gz NVCAPNFZZASYIR-FTJRRQOFSA-N 2 2 302.437 3.103 20 0 DGADLP C[NH2+]CC[C@H](C)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001246116332 1104394536 /nfs/dbraw/zinc/39/45/36/1104394536.db2.gz YZJSPYKSABFIQZ-KRWDZBQOSA-N 2 2 323.484 3.048 20 0 DGADLP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148323 1104405861 /nfs/dbraw/zinc/40/58/61/1104405861.db2.gz RLZFKLCJDJWSHS-GOSISDBHSA-N 3 2 319.537 3.343 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@]1(F)CC[NH2+]C1 ZINC001246149228 1104407100 /nfs/dbraw/zinc/40/71/00/1104407100.db2.gz UDKPMLMPELUDFM-FZMZJTMJSA-N 2 2 302.846 3.112 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246161917 1104411301 /nfs/dbraw/zinc/41/13/01/1104411301.db2.gz MCMGTYVMQHRTEY-VXGBXAGGSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246187399 1104428091 /nfs/dbraw/zinc/42/80/91/1104428091.db2.gz ZPBFZOWANWFEEU-SWLSCSKDSA-N 2 2 318.358 3.318 20 0 DGADLP Brc1ccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246200688 1104436084 /nfs/dbraw/zinc/43/60/84/1104436084.db2.gz CDMWSWXIXNGRQI-CQSZACIVSA-N 2 2 309.251 3.170 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C(O)(c1ccccc1)c1ccccc1 ZINC001246253537 1104460581 /nfs/dbraw/zinc/46/05/81/1104460581.db2.gz ZFFFCYBUJIYJOO-QKLQHJQFSA-N 2 2 324.468 3.041 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001246279184 1104470571 /nfs/dbraw/zinc/47/05/71/1104470571.db2.gz KVPXWLLGIIDINX-SJORKVTESA-N 2 2 312.413 3.026 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246277683 1104470955 /nfs/dbraw/zinc/47/09/55/1104470955.db2.gz AJQHZJJSPAJDQP-MAUKXSAKSA-N 2 2 302.368 3.112 20 0 DGADLP c1ccc(CC2CCC([NH2+]C[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC001246336565 1104497809 /nfs/dbraw/zinc/49/78/09/1104497809.db2.gz ODMYZVGKYVYURX-DAWZGUTISA-N 2 2 304.503 3.083 20 0 DGADLP COc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1OC ZINC001246353157 1104503580 /nfs/dbraw/zinc/50/35/80/1104503580.db2.gz USXNDPYYNUYGFB-WZRBSPASSA-N 2 2 312.841 3.148 20 0 DGADLP CCC1([NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425043 1104535970 /nfs/dbraw/zinc/53/59/70/1104535970.db2.gz VLUZVUKQUZEFRQ-AEFFLSMTSA-N 3 2 319.468 3.049 20 0 DGADLP CCC1([NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425044 1104536159 /nfs/dbraw/zinc/53/61/59/1104536159.db2.gz VLUZVUKQUZEFRQ-FUHWJXTLSA-N 3 2 319.468 3.049 20 0 DGADLP CCC1([NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC[NH2+]CC1 ZINC001246425048 1104536681 /nfs/dbraw/zinc/53/66/81/1104536681.db2.gz VLUZVUKQUZEFRQ-WMZOPIPTSA-N 3 2 319.468 3.049 20 0 DGADLP CCc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001330333082 1104540505 /nfs/dbraw/zinc/54/05/05/1104540505.db2.gz DTTMIEKDFXVBPE-GOSISDBHSA-N 2 2 310.445 3.424 20 0 DGADLP CCc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001330333082 1104540512 /nfs/dbraw/zinc/54/05/12/1104540512.db2.gz DTTMIEKDFXVBPE-GOSISDBHSA-N 2 2 310.445 3.424 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(Cc2ccccc2)CC[NH2+]CC1 ZINC001246455279 1104545259 /nfs/dbraw/zinc/54/52/59/1104545259.db2.gz HZKWOHWGPOWFBV-GOSISDBHSA-N 3 2 317.521 3.061 20 0 DGADLP COc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274997378 1104570367 /nfs/dbraw/zinc/57/03/67/1104570367.db2.gz UWESELXELGPJKB-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274997378 1104570373 /nfs/dbraw/zinc/57/03/73/1104570373.db2.gz UWESELXELGPJKB-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1c(F)cccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001274997378 1104570379 /nfs/dbraw/zinc/57/03/79/1104570379.db2.gz UWESELXELGPJKB-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1c(F)cccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001274997378 1104570387 /nfs/dbraw/zinc/57/03/87/1104570387.db2.gz UWESELXELGPJKB-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993670 1104571511 /nfs/dbraw/zinc/57/15/11/1104571511.db2.gz BDRANELMOSOHMW-KRWDZBQOSA-N 2 2 312.379 3.064 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993670 1104571520 /nfs/dbraw/zinc/57/15/20/1104571520.db2.gz BDRANELMOSOHMW-KRWDZBQOSA-N 2 2 312.379 3.064 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993670 1104571532 /nfs/dbraw/zinc/57/15/32/1104571532.db2.gz BDRANELMOSOHMW-KRWDZBQOSA-N 2 2 312.379 3.064 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993670 1104571544 /nfs/dbraw/zinc/57/15/44/1104571544.db2.gz BDRANELMOSOHMW-KRWDZBQOSA-N 2 2 312.379 3.064 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC001246527139 1104577484 /nfs/dbraw/zinc/57/74/84/1104577484.db2.gz RUQIJOPFGGLNEF-RHSMWYFYSA-N 2 2 306.450 3.277 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CCC=C(C)C)cc1 ZINC001246524050 1104578206 /nfs/dbraw/zinc/57/82/06/1104578206.db2.gz IRTYMCWKLFRVSY-PBHICJAKSA-N 2 2 304.434 3.198 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536882 1104582364 /nfs/dbraw/zinc/58/23/64/1104582364.db2.gz TZIQRZGDSQCDQB-IEBWSBKVSA-N 2 2 309.457 3.424 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536882 1104582369 /nfs/dbraw/zinc/58/23/69/1104582369.db2.gz TZIQRZGDSQCDQB-IEBWSBKVSA-N 2 2 309.457 3.424 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551042 1104591433 /nfs/dbraw/zinc/59/14/33/1104591433.db2.gz KAPHXLJOCKOYLZ-YTQUADARSA-N 3 2 319.468 3.131 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551042 1104591440 /nfs/dbraw/zinc/59/14/40/1104591440.db2.gz KAPHXLJOCKOYLZ-YTQUADARSA-N 3 2 319.468 3.131 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+])CC2 ZINC001246571627 1104600303 /nfs/dbraw/zinc/60/03/03/1104600303.db2.gz WFPZFHVDGCJLTQ-BFHYXJOUSA-N 2 2 322.880 3.265 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+])CC2 ZINC001246571627 1104600307 /nfs/dbraw/zinc/60/03/07/1104600307.db2.gz WFPZFHVDGCJLTQ-BFHYXJOUSA-N 2 2 322.880 3.265 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001246575620 1104601119 /nfs/dbraw/zinc/60/11/19/1104601119.db2.gz INHLRMMATQHIIM-RCCFBDPRSA-N 2 2 306.425 3.060 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001246575620 1104601125 /nfs/dbraw/zinc/60/11/25/1104601125.db2.gz INHLRMMATQHIIM-RCCFBDPRSA-N 2 2 306.425 3.060 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275076909 1104613583 /nfs/dbraw/zinc/61/35/83/1104613583.db2.gz HNVQSTURMFBEKK-FHWLQOOXSA-N 2 2 318.509 3.248 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275076909 1104613587 /nfs/dbraw/zinc/61/35/87/1104613587.db2.gz HNVQSTURMFBEKK-FHWLQOOXSA-N 2 2 318.509 3.248 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630951 1104636458 /nfs/dbraw/zinc/63/64/58/1104636458.db2.gz MGMMLUYQGUFRRA-CZUORRHYSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630951 1104636463 /nfs/dbraw/zinc/63/64/63/1104636463.db2.gz MGMMLUYQGUFRRA-CZUORRHYSA-N 2 2 323.278 3.066 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246633413 1104638257 /nfs/dbraw/zinc/63/82/57/1104638257.db2.gz XSNSCXQRVATMDJ-KCXAZCMYSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)CC2 ZINC001246633413 1104638263 /nfs/dbraw/zinc/63/82/63/1104638263.db2.gz XSNSCXQRVATMDJ-KCXAZCMYSA-N 2 2 311.256 3.287 20 0 DGADLP CC[NH2+]C1CC[NH+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001246803890 1104682731 /nfs/dbraw/zinc/68/27/31/1104682731.db2.gz NKHDLMRKSQNGGK-CQSZACIVSA-N 2 2 322.880 3.280 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC001246807722 1104684304 /nfs/dbraw/zinc/68/43/04/1104684304.db2.gz QMNSVKGIQKIROV-LMMKCTJWSA-N 2 2 320.452 3.428 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCCO2)CC[NH2+]1 ZINC001246807722 1104684308 /nfs/dbraw/zinc/68/43/08/1104684308.db2.gz QMNSVKGIQKIROV-LMMKCTJWSA-N 2 2 320.452 3.428 20 0 DGADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C2CCc3ccccc3CC2)C1 ZINC001246827000 1104694453 /nfs/dbraw/zinc/69/44/53/1104694453.db2.gz GFRPUBXFVPMCCP-CABCVRRESA-N 2 2 312.379 3.146 20 0 DGADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@H+](C2CCc3ccccc3CC2)C1 ZINC001246827000 1104694457 /nfs/dbraw/zinc/69/44/57/1104694457.db2.gz GFRPUBXFVPMCCP-CABCVRRESA-N 2 2 312.379 3.146 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246840796 1104701711 /nfs/dbraw/zinc/70/17/11/1104701711.db2.gz QBJCXYIAUWPRTM-IUODEOHRSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246840796 1104701717 /nfs/dbraw/zinc/70/17/17/1104701717.db2.gz QBJCXYIAUWPRTM-IUODEOHRSA-N 2 2 311.267 3.412 20 0 DGADLP C[C@H]1CC[C@@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246863667 1104710070 /nfs/dbraw/zinc/71/00/70/1104710070.db2.gz MWRFIGXMENYXSU-WMLDXEAASA-N 2 2 306.425 3.057 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1F ZINC001275300970 1104714628 /nfs/dbraw/zinc/71/46/28/1104714628.db2.gz GRGCOPQIMBVPSV-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1F ZINC001275300970 1104714633 /nfs/dbraw/zinc/71/46/33/1104714633.db2.gz GRGCOPQIMBVPSV-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1F ZINC001275300970 1104714639 /nfs/dbraw/zinc/71/46/39/1104714639.db2.gz GRGCOPQIMBVPSV-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1F ZINC001275300970 1104714641 /nfs/dbraw/zinc/71/46/41/1104714641.db2.gz GRGCOPQIMBVPSV-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CC[C@H]1CC([N@@H+]2CCO[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246895014 1104726828 /nfs/dbraw/zinc/72/68/28/1104726828.db2.gz RGIRVAJVOPNWHP-JENIJYKNSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H]1CC([N@H+]2CCO[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246895014 1104726834 /nfs/dbraw/zinc/72/68/34/1104726834.db2.gz RGIRVAJVOPNWHP-JENIJYKNSA-N 2 2 302.462 3.369 20 0 DGADLP OC1([C@@H]2CCCC[NH2+]2)C[NH+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246897173 1104726910 /nfs/dbraw/zinc/72/69/10/1104726910.db2.gz IJMWWUSSVIELIV-IRXDYDNUSA-N 2 2 306.494 3.068 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246916965 1104735828 /nfs/dbraw/zinc/73/58/28/1104735828.db2.gz NCCFFIITXPKBHQ-UUAJXVIYSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246916965 1104735829 /nfs/dbraw/zinc/73/58/29/1104735829.db2.gz NCCFFIITXPKBHQ-UUAJXVIYSA-N 2 2 322.493 3.102 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246935286 1104742738 /nfs/dbraw/zinc/74/27/38/1104742738.db2.gz LREKKKOMDHKBJI-GUDVDZBRSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246935286 1104742742 /nfs/dbraw/zinc/74/27/42/1104742742.db2.gz LREKKKOMDHKBJI-GUDVDZBRSA-N 2 2 320.452 3.337 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246943540 1104747017 /nfs/dbraw/zinc/74/70/17/1104747017.db2.gz UQHZECJACOLOJC-RBUKOAKNSA-N 3 2 303.494 3.143 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246943540 1104747021 /nfs/dbraw/zinc/74/70/21/1104747021.db2.gz UQHZECJACOLOJC-RBUKOAKNSA-N 3 2 303.494 3.143 20 0 DGADLP CCOC(=O)C[N@H+](C1CCCC1)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246950524 1104749529 /nfs/dbraw/zinc/74/95/29/1104749529.db2.gz WDDCHYDAAFYSOM-SCAQPMJSSA-N 2 2 310.482 3.103 20 0 DGADLP CCOC(=O)C[N@@H+](C1CCCC1)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246950524 1104749532 /nfs/dbraw/zinc/74/95/32/1104749532.db2.gz WDDCHYDAAFYSOM-SCAQPMJSSA-N 2 2 310.482 3.103 20 0 DGADLP CC[C@H]1C[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246951554 1104749634 /nfs/dbraw/zinc/74/96/34/1104749634.db2.gz LREKKKOMDHKBJI-QYZOEREBSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H]1C[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246951554 1104749636 /nfs/dbraw/zinc/74/96/36/1104749636.db2.gz LREKKKOMDHKBJI-QYZOEREBSA-N 2 2 320.452 3.337 20 0 DGADLP C[C@@H]1CC([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246953014 1104751579 /nfs/dbraw/zinc/75/15/79/1104751579.db2.gz OHUCLGCVWAIEIZ-BQFCYCMXSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246953014 1104751580 /nfs/dbraw/zinc/75/15/80/1104751580.db2.gz OHUCLGCVWAIEIZ-BQFCYCMXSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)C2 ZINC001246963738 1104753604 /nfs/dbraw/zinc/75/36/04/1104753604.db2.gz MWOFGFWRGIPTRZ-VQTJNVASSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1cccc2c1CC[C@H]([N@@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)C2 ZINC001246963738 1104753607 /nfs/dbraw/zinc/75/36/07/1104753607.db2.gz MWOFGFWRGIPTRZ-VQTJNVASSA-N 2 2 321.468 3.111 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246967922 1104755499 /nfs/dbraw/zinc/75/54/99/1104755499.db2.gz VCWNHDIBFPKYFK-UKBAYJJMSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246967922 1104755501 /nfs/dbraw/zinc/75/55/01/1104755501.db2.gz VCWNHDIBFPKYFK-UKBAYJJMSA-N 2 2 301.478 3.460 20 0 DGADLP COC(=O)C1(C)CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246977368 1104759987 /nfs/dbraw/zinc/75/99/87/1104759987.db2.gz HCZMGFYGUFSNNL-TVRKMHQQSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)C1(C)CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246977368 1104759990 /nfs/dbraw/zinc/75/99/90/1104759990.db2.gz HCZMGFYGUFSNNL-TVRKMHQQSA-N 2 2 322.493 3.105 20 0 DGADLP C[C@@H]1Cc2cc(Br)ccc2C[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246996388 1104768510 /nfs/dbraw/zinc/76/85/10/1104768510.db2.gz NXUQGYIPQFPPIJ-WBMJQRKESA-N 2 2 323.278 3.338 20 0 DGADLP C[C@@H]1Cc2cc(Br)ccc2C[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246996388 1104768512 /nfs/dbraw/zinc/76/85/12/1104768512.db2.gz NXUQGYIPQFPPIJ-WBMJQRKESA-N 2 2 323.278 3.338 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998672 1104770440 /nfs/dbraw/zinc/77/04/40/1104770440.db2.gz YOAPKOCQUDVFNS-MJGOQNOKSA-N 3 2 309.542 3.494 20 0 DGADLP CCCC[C@@H]1C[C@@H]([N@@H+](C)C2CC[NH+](CCCC)CC2)CC[NH2+]1 ZINC001246998672 1104770445 /nfs/dbraw/zinc/77/04/45/1104770445.db2.gz YOAPKOCQUDVFNS-MJGOQNOKSA-N 3 2 309.542 3.494 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2Cc3c(Br)cccc3C[C@H]2C)CC[NH2+]1 ZINC001247001497 1104771414 /nfs/dbraw/zinc/77/14/14/1104771414.db2.gz IPNSPWYXRLMQQB-YRGRVCCFSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2Cc3c(Br)cccc3C[C@H]2C)CC[NH2+]1 ZINC001247001497 1104771420 /nfs/dbraw/zinc/77/14/20/1104771420.db2.gz IPNSPWYXRLMQQB-YRGRVCCFSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001247006389 1104774338 /nfs/dbraw/zinc/77/43/38/1104774338.db2.gz UFYBMCZWTKDLFF-BZUAXINKSA-N 2 2 319.468 3.033 20 0 DGADLP C[NH2+]C1CCC(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC1 ZINC001247715605 1104963033 /nfs/dbraw/zinc/96/30/33/1104963033.db2.gz XVDTYZAQAANEPC-UHFFFAOYSA-N 2 2 323.400 3.168 20 0 DGADLP CC[NH+]1CCC(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC1 ZINC001247715950 1104963562 /nfs/dbraw/zinc/96/35/62/1104963562.db2.gz SYXGTINZYCOREI-UHFFFAOYSA-N 2 2 323.400 3.122 20 0 DGADLP C[C@@H](c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C1CC[NH2+]CC1 ZINC001247791748 1104983848 /nfs/dbraw/zinc/98/38/48/1104983848.db2.gz GRHISFSJZUTLFA-CYBMUJFWSA-N 2 2 323.400 3.025 20 0 DGADLP C[C@H](c1nc(-c2ccccc2-n2cc[nH+]c2)no1)C1CC[NH2+]CC1 ZINC001247793627 1104985086 /nfs/dbraw/zinc/98/50/86/1104985086.db2.gz QTBONWAHAIRAEQ-ZDUSSCGKSA-N 2 2 323.400 3.025 20 0 DGADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032878 1104992156 /nfs/dbraw/zinc/99/21/56/1104992156.db2.gz PZVXHEPLIFAYFR-ZIFCJYIRSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276032878 1104992160 /nfs/dbraw/zinc/99/21/60/1104992160.db2.gz PZVXHEPLIFAYFR-ZIFCJYIRSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032878 1104992163 /nfs/dbraw/zinc/99/21/63/1104992163.db2.gz PZVXHEPLIFAYFR-ZIFCJYIRSA-N 2 2 301.478 3.349 20 0 DGADLP C[C@@H]1C[C@H]1C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276032878 1104992168 /nfs/dbraw/zinc/99/21/68/1104992168.db2.gz PZVXHEPLIFAYFR-ZIFCJYIRSA-N 2 2 301.478 3.349 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC[NH+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102119 1105017822 /nfs/dbraw/zinc/01/78/22/1105017822.db2.gz ZVTOFLBUONNEEE-LJQANCHMSA-N 2 2 312.461 3.221 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@@]3(CCC[NH+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102119 1105017828 /nfs/dbraw/zinc/01/78/28/1105017828.db2.gz ZVTOFLBUONNEEE-LJQANCHMSA-N 2 2 312.461 3.221 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@H+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102119 1105017835 /nfs/dbraw/zinc/01/78/35/1105017835.db2.gz ZVTOFLBUONNEEE-LJQANCHMSA-N 2 2 312.461 3.221 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@@H+](Cc4cc[nH]c4)C3)C2)c1 ZINC001276102119 1105017840 /nfs/dbraw/zinc/01/78/40/1105017840.db2.gz ZVTOFLBUONNEEE-LJQANCHMSA-N 2 2 312.461 3.221 20 0 DGADLP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnco1 ZINC001276158908 1105034053 /nfs/dbraw/zinc/03/40/53/1105034053.db2.gz XNTYTFCWCIHSTE-YHWZYXNKSA-N 2 2 317.355 3.102 20 0 DGADLP FC(F)(F)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnco1 ZINC001276158908 1105034060 /nfs/dbraw/zinc/03/40/60/1105034060.db2.gz XNTYTFCWCIHSTE-YHWZYXNKSA-N 2 2 317.355 3.102 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236535 1105058164 /nfs/dbraw/zinc/05/81/64/1105058164.db2.gz LRELUFSYATUWLS-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236535 1105058170 /nfs/dbraw/zinc/05/81/70/1105058170.db2.gz LRELUFSYATUWLS-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236535 1105058177 /nfs/dbraw/zinc/05/81/77/1105058177.db2.gz LRELUFSYATUWLS-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236535 1105058181 /nfs/dbraw/zinc/05/81/81/1105058181.db2.gz LRELUFSYATUWLS-QGZVFWFLSA-N 2 2 318.852 3.134 20 0 DGADLP Cc1[nH+]c2ccc(N)cc2n1-c1ccc(OCCC[NH+](C)C)cc1 ZINC001248414232 1105111230 /nfs/dbraw/zinc/11/12/30/1105111230.db2.gz YMSOYRFTVMTMHA-UHFFFAOYSA-N 2 2 324.428 3.247 20 0 DGADLP CC[C@H](C)[C@H]([NH2+]C)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248930384 1105195838 /nfs/dbraw/zinc/19/58/38/1105195838.db2.gz LEQMCHKHGVUGPS-WFASDCNBSA-N 2 2 311.389 3.229 20 0 DGADLP c1cn(-c2ccc(-c3noc(C[NH2+]C4CCCCC4)n3)cc2)c[nH+]1 ZINC001248942489 1105198316 /nfs/dbraw/zinc/19/83/16/1105198316.db2.gz UGLTZXPAILISMP-UHFFFAOYSA-N 2 2 323.400 3.345 20 0 DGADLP c1cn(-c2ccccc2-c2noc(C34CCC[NH+]3CCC4)n2)c[nH+]1 ZINC001249221065 1105248747 /nfs/dbraw/zinc/24/87/47/1105248747.db2.gz OHTUZPFOOJXTFC-UHFFFAOYSA-N 2 2 321.384 3.007 20 0 DGADLP Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)n(-c2cc[nH+]cc2)n1 ZINC001249585564 1105322146 /nfs/dbraw/zinc/32/21/46/1105322146.db2.gz AFGMDXPFEUNBKM-UHFFFAOYSA-N 2 2 319.290 3.155 20 0 DGADLP CCCCCCc1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250426811 1105514112 /nfs/dbraw/zinc/51/41/12/1105514112.db2.gz BBGQVHSFLWWKLB-UHFFFAOYSA-N 2 2 300.450 3.438 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418197 1105519512 /nfs/dbraw/zinc/51/95/12/1105519512.db2.gz PLSINOVDJIDVLZ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418197 1105519516 /nfs/dbraw/zinc/51/95/16/1105519516.db2.gz PLSINOVDJIDVLZ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418197 1105519521 /nfs/dbraw/zinc/51/95/21/1105519521.db2.gz PLSINOVDJIDVLZ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001137418197 1105519524 /nfs/dbraw/zinc/51/95/24/1105519524.db2.gz PLSINOVDJIDVLZ-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001206582585 1105522119 /nfs/dbraw/zinc/52/21/19/1105522119.db2.gz OGQFANZUPFTOFR-AWEZNQCLSA-N 2 2 319.346 3.190 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001206582585 1105522123 /nfs/dbraw/zinc/52/21/23/1105522123.db2.gz OGQFANZUPFTOFR-AWEZNQCLSA-N 2 2 319.346 3.190 20 0 DGADLP C[C@@H](c1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1)c1ccccc1 ZINC001250562829 1105537218 /nfs/dbraw/zinc/53/72/18/1105537218.db2.gz PHMBEJWAIZUYNE-OAHLLOKOSA-N 2 2 320.440 3.467 20 0 DGADLP CCCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252099708 1105739039 /nfs/dbraw/zinc/73/90/39/1105739039.db2.gz OFNOYEZATSOIPS-LJQANCHMSA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252099708 1105739040 /nfs/dbraw/zinc/73/90/40/1105739040.db2.gz OFNOYEZATSOIPS-LJQANCHMSA-N 2 2 322.468 3.273 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001255968098 1105739800 /nfs/dbraw/zinc/73/98/00/1105739800.db2.gz VQOUIZKWUDONTF-ZFWWWQNUSA-N 2 2 324.431 3.132 20 0 DGADLP CCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001252119496 1105743518 /nfs/dbraw/zinc/74/35/18/1105743518.db2.gz YTTGEXQYVLWPIC-LJQANCHMSA-N 2 2 322.468 3.239 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCCC2CCC2)c(C)[nH+]1 ZINC001491533585 1105840459 /nfs/dbraw/zinc/84/04/59/1105840459.db2.gz GSWBQPDEAOQDGO-OAHLLOKOSA-N 2 2 317.477 3.295 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(c2ccccc2Cl)CC1 ZINC001253193187 1105901333 /nfs/dbraw/zinc/90/13/33/1105901333.db2.gz DZXSZCCNCJSXIN-INIZCTEOSA-N 2 2 324.896 3.222 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001253384778 1105933067 /nfs/dbraw/zinc/93/30/67/1105933067.db2.gz FUPLQUHYFXMFEF-QGZVFWFLSA-N 2 2 322.880 3.178 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001253384778 1105933072 /nfs/dbraw/zinc/93/30/72/1105933072.db2.gz FUPLQUHYFXMFEF-QGZVFWFLSA-N 2 2 322.880 3.178 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001253391986 1105933887 /nfs/dbraw/zinc/93/38/87/1105933887.db2.gz ZXYSJJUCWDQDSA-RHSMWYFYSA-N 2 2 308.441 3.102 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001253391986 1105933892 /nfs/dbraw/zinc/93/38/92/1105933892.db2.gz ZXYSJJUCWDQDSA-RHSMWYFYSA-N 2 2 308.441 3.102 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447430 1106072029 /nfs/dbraw/zinc/07/20/29/1106072029.db2.gz GWGNIOAYQCGGMF-SJLPKXTDSA-N 2 2 314.408 3.344 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447430 1106072036 /nfs/dbraw/zinc/07/20/36/1106072036.db2.gz GWGNIOAYQCGGMF-SJLPKXTDSA-N 2 2 314.408 3.344 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@@H]3CCC[N@@H+](C)CC3)CCO2)cc1 ZINC001254526151 1106091954 /nfs/dbraw/zinc/09/19/54/1106091954.db2.gz OSAGSZAVCOSWIP-MOPGFXCFSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@]2(C)C[NH+]([C@@H]3CCC[N@H+](C)CC3)CCO2)cc1 ZINC001254526151 1106091958 /nfs/dbraw/zinc/09/19/58/1106091958.db2.gz OSAGSZAVCOSWIP-MOPGFXCFSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526151 1106091963 /nfs/dbraw/zinc/09/19/63/1106091963.db2.gz OSAGSZAVCOSWIP-MOPGFXCFSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526151 1106091968 /nfs/dbraw/zinc/09/19/68/1106091968.db2.gz OSAGSZAVCOSWIP-MOPGFXCFSA-N 2 2 302.462 3.027 20 0 DGADLP CC[NH+]([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254526980 1106093260 /nfs/dbraw/zinc/09/32/60/1106093260.db2.gz VBCIPXHMXWXDIR-WOJBJXKFSA-N 2 2 315.505 3.067 20 0 DGADLP CC[NH+]([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526980 1106093266 /nfs/dbraw/zinc/09/32/66/1106093266.db2.gz VBCIPXHMXWXDIR-WOJBJXKFSA-N 2 2 315.505 3.067 20 0 DGADLP Fc1ccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC001254609628 1106112642 /nfs/dbraw/zinc/11/26/42/1106112642.db2.gz RKALPWFKLLRROP-UHFFFAOYSA-N 2 2 319.468 3.260 20 0 DGADLP Brc1cccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254832503 1106145079 /nfs/dbraw/zinc/14/50/79/1106145079.db2.gz GNQHDJKDHROKCW-INIZCTEOSA-N 2 2 323.278 3.066 20 0 DGADLP Clc1ccc(OCCC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254834947 1106146254 /nfs/dbraw/zinc/14/62/54/1106146254.db2.gz CFMITQOMHLIDFL-MRXNPFEDSA-N 2 2 308.853 3.183 20 0 DGADLP COc1cccc(CC2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCC2)c1 ZINC001254848657 1106148612 /nfs/dbraw/zinc/14/86/12/1106148612.db2.gz TYIVTLCBWLAHPC-SFHVURJKSA-N 2 2 314.473 3.234 20 0 DGADLP Fc1ccccc1CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254848672 1106148792 /nfs/dbraw/zinc/14/87/92/1106148792.db2.gz UFVPGHLSQDPBRR-KRWDZBQOSA-N 2 2 302.437 3.365 20 0 DGADLP COc1cccc(CC2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCC2)c1 ZINC001254848656 1106149048 /nfs/dbraw/zinc/14/90/48/1106149048.db2.gz TYIVTLCBWLAHPC-GOSISDBHSA-N 2 2 314.473 3.234 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862654 1106150891 /nfs/dbraw/zinc/15/08/91/1106150891.db2.gz OQQJFQQLTCIOGB-RTBURBONSA-N 2 2 314.473 3.323 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862654 1106150892 /nfs/dbraw/zinc/15/08/92/1106150892.db2.gz OQQJFQQLTCIOGB-RTBURBONSA-N 2 2 314.473 3.323 20 0 DGADLP COc1ccc(C2=CC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254869821 1106151848 /nfs/dbraw/zinc/15/18/48/1106151848.db2.gz YRVNCUDSIOPPCJ-IBGZPJMESA-N 2 2 312.457 3.269 20 0 DGADLP COc1ccc(C2=CC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254869821 1106151851 /nfs/dbraw/zinc/15/18/51/1106151851.db2.gz YRVNCUDSIOPPCJ-IBGZPJMESA-N 2 2 312.457 3.269 20 0 DGADLP Cc1[nH+]cn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001255124751 1106184974 /nfs/dbraw/zinc/18/49/74/1106184974.db2.gz NQBYVJBTTVDVHD-BWTSREIZSA-N 3 2 324.472 3.061 20 0 DGADLP Cc1[nH+]cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001255124751 1106184977 /nfs/dbraw/zinc/18/49/77/1106184977.db2.gz NQBYVJBTTVDVHD-BWTSREIZSA-N 3 2 324.472 3.061 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001255142968 1106189015 /nfs/dbraw/zinc/18/90/15/1106189015.db2.gz HQKJDSUHADCRML-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001255142968 1106189020 /nfs/dbraw/zinc/18/90/20/1106189020.db2.gz HQKJDSUHADCRML-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCCC24COC4)C3)cc1 ZINC001255142968 1106189024 /nfs/dbraw/zinc/18/90/24/1106189024.db2.gz HQKJDSUHADCRML-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCCC24COC4)C3)cc1 ZINC001255142968 1106189027 /nfs/dbraw/zinc/18/90/27/1106189027.db2.gz HQKJDSUHADCRML-BWTSREIZSA-N 2 2 312.457 3.047 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150731 1106191328 /nfs/dbraw/zinc/19/13/28/1106191328.db2.gz YCSWICZJMXVVTK-USYVTKNRSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150731 1106191329 /nfs/dbraw/zinc/19/13/29/1106191329.db2.gz YCSWICZJMXVVTK-USYVTKNRSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150731 1106191332 /nfs/dbraw/zinc/19/13/32/1106191332.db2.gz YCSWICZJMXVVTK-USYVTKNRSA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001255150731 1106191334 /nfs/dbraw/zinc/19/13/34/1106191334.db2.gz YCSWICZJMXVVTK-USYVTKNRSA-N 2 2 312.457 3.045 20 0 DGADLP c1csc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255380098 1106236657 /nfs/dbraw/zinc/23/66/57/1106236657.db2.gz HRGWMAVCBZCPRB-MRXNPFEDSA-N 2 2 301.459 3.287 20 0 DGADLP c1csc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255380098 1106236660 /nfs/dbraw/zinc/23/66/60/1106236660.db2.gz HRGWMAVCBZCPRB-MRXNPFEDSA-N 2 2 301.459 3.287 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384234 1106238149 /nfs/dbraw/zinc/23/81/49/1106238149.db2.gz WIXSYPYQPXFPKV-QGZVFWFLSA-N 2 2 302.462 3.246 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384234 1106238151 /nfs/dbraw/zinc/23/81/51/1106238151.db2.gz WIXSYPYQPXFPKV-QGZVFWFLSA-N 2 2 302.462 3.246 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255384772 1106238221 /nfs/dbraw/zinc/23/82/21/1106238221.db2.gz BLLLHKZZADHYRP-QGZVFWFLSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255384772 1106238225 /nfs/dbraw/zinc/23/82/25/1106238225.db2.gz BLLLHKZZADHYRP-QGZVFWFLSA-N 2 2 313.420 3.365 20 0 DGADLP COC1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CC1 ZINC001255450173 1106251679 /nfs/dbraw/zinc/25/16/79/1106251679.db2.gz JRBWFHMCAQYNLF-GPJFCIFZSA-N 2 2 316.489 3.241 20 0 DGADLP COC[C@@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001255558605 1106270148 /nfs/dbraw/zinc/27/01/48/1106270148.db2.gz PCXYAAHYMVQFTQ-QGZVFWFLSA-N 2 2 324.468 3.332 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001255951817 1106347938 /nfs/dbraw/zinc/34/79/38/1106347938.db2.gz KCNQZFXXQDHFMS-GOSISDBHSA-N 3 2 317.521 3.143 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001255960090 1106349709 /nfs/dbraw/zinc/34/97/09/1106349709.db2.gz FFJPLEBNYVIONK-INIZCTEOSA-N 2 2 322.468 3.230 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC001255968024 1106352239 /nfs/dbraw/zinc/35/22/39/1106352239.db2.gz VHHAZEAWANKBIZ-HNNXBMFYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1OC ZINC001255968024 1106352240 /nfs/dbraw/zinc/35/22/40/1106352240.db2.gz VHHAZEAWANKBIZ-HNNXBMFYSA-N 2 2 308.466 3.256 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071550 1106363938 /nfs/dbraw/zinc/36/39/38/1106363938.db2.gz DCRBPVDYMWCAAE-RZDIXWSQSA-N 3 2 305.510 3.128 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071550 1106363940 /nfs/dbraw/zinc/36/39/40/1106363940.db2.gz DCRBPVDYMWCAAE-RZDIXWSQSA-N 3 2 305.510 3.128 20 0 DGADLP Cc1ccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078093 1106366377 /nfs/dbraw/zinc/36/63/77/1106366377.db2.gz URZKRCGLYSCMDR-HXUWFJFHSA-N 2 2 314.473 3.465 20 0 DGADLP Cc1ccc(O[C@@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078093 1106366381 /nfs/dbraw/zinc/36/63/81/1106366381.db2.gz URZKRCGLYSCMDR-HXUWFJFHSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001256194868 1106389215 /nfs/dbraw/zinc/38/92/15/1106389215.db2.gz RKRTWUNKHSTMPO-GOSISDBHSA-N 2 2 321.896 3.161 20 0 DGADLP C[NH+]1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC001256194868 1106389220 /nfs/dbraw/zinc/38/92/20/1106389220.db2.gz RKRTWUNKHSTMPO-GOSISDBHSA-N 2 2 321.896 3.161 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C2CCSCC2)CC1 ZINC001256209825 1106390502 /nfs/dbraw/zinc/39/05/02/1106390502.db2.gz ABMLXTNJEWCAOF-UHFFFAOYSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C2CCSCC2)CC1 ZINC001256209825 1106390505 /nfs/dbraw/zinc/39/05/05/1106390505.db2.gz ABMLXTNJEWCAOF-UHFFFAOYSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC([NH+]2CCC3(CC2)OCc2cc(Cl)ccc23)CC1 ZINC001256210915 1106390562 /nfs/dbraw/zinc/39/05/62/1106390562.db2.gz NUIGDLVVIDAWJK-UHFFFAOYSA-N 2 2 320.864 3.256 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C)C[NH+](C)C ZINC001256213202 1106391557 /nfs/dbraw/zinc/39/15/57/1106391557.db2.gz QGXTWDNCNHKKTR-CHWSQXEVSA-N 2 2 313.283 3.310 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256538580 1106438385 /nfs/dbraw/zinc/43/83/85/1106438385.db2.gz UFWATZRVFMAROT-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256538580 1106438387 /nfs/dbraw/zinc/43/83/87/1106438387.db2.gz UFWATZRVFMAROT-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538580 1106438393 /nfs/dbraw/zinc/43/83/93/1106438393.db2.gz UFWATZRVFMAROT-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538580 1106438394 /nfs/dbraw/zinc/43/83/94/1106438394.db2.gz UFWATZRVFMAROT-SJLPKXTDSA-N 2 2 302.462 3.150 20 0 DGADLP CC(=O)C1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552445 1106441320 /nfs/dbraw/zinc/44/13/20/1106441320.db2.gz CICPMHWRVFUPKE-OXQOHEQNSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)C1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552445 1106441323 /nfs/dbraw/zinc/44/13/23/1106441323.db2.gz CICPMHWRVFUPKE-OXQOHEQNSA-N 2 2 314.473 3.341 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554778 1106442125 /nfs/dbraw/zinc/44/21/25/1106442125.db2.gz QQVZFAYMYKCGSP-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256554778 1106442127 /nfs/dbraw/zinc/44/21/27/1106442127.db2.gz QQVZFAYMYKCGSP-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554778 1106442129 /nfs/dbraw/zinc/44/21/29/1106442129.db2.gz QQVZFAYMYKCGSP-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP CC[C@@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256554778 1106442131 /nfs/dbraw/zinc/44/21/31/1106442131.db2.gz QQVZFAYMYKCGSP-QRQLOZEOSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCC3(CCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553821 1106442445 /nfs/dbraw/zinc/44/24/45/1106442445.db2.gz KUIPSXAPVTXIHB-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCC3(CCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553821 1106442447 /nfs/dbraw/zinc/44/24/47/1106442447.db2.gz KUIPSXAPVTXIHB-HKUYNNGSSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553357 1106442605 /nfs/dbraw/zinc/44/26/05/1106442605.db2.gz FQQGOWZYASEWMN-FAJBIJEISA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553357 1106442607 /nfs/dbraw/zinc/44/26/07/1106442607.db2.gz FQQGOWZYASEWMN-FAJBIJEISA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553357 1106442610 /nfs/dbraw/zinc/44/26/10/1106442610.db2.gz FQQGOWZYASEWMN-FAJBIJEISA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001256553357 1106442611 /nfs/dbraw/zinc/44/26/11/1106442611.db2.gz FQQGOWZYASEWMN-FAJBIJEISA-N 2 2 302.462 3.149 20 0 DGADLP COc1cccnc1[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001256567202 1106446759 /nfs/dbraw/zinc/44/67/59/1106446759.db2.gz UOENGPOLMGWJNO-KRWDZBQOSA-N 2 2 317.477 3.394 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC(F)(F)CO3)CC2)CC1 ZINC001256570071 1106447656 /nfs/dbraw/zinc/44/76/56/1106447656.db2.gz XDPAKKJCCMDJHJ-UHFFFAOYSA-N 2 2 316.436 3.140 20 0 DGADLP Cc1cccc([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256602518 1106451738 /nfs/dbraw/zinc/45/17/38/1106451738.db2.gz ZECZIPFHMJVVDB-OAQYLSRUSA-N 2 2 324.468 3.283 20 0 DGADLP COC[C@H]1CCCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604353 1106452937 /nfs/dbraw/zinc/45/29/37/1106452937.db2.gz PLFSYSORQZBOLI-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP COC[C@H]1CCCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604353 1106452938 /nfs/dbraw/zinc/45/29/38/1106452938.db2.gz PLFSYSORQZBOLI-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP F[C@H]1CSC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256609977 1106453923 /nfs/dbraw/zinc/45/39/23/1106453923.db2.gz VXFIMBUJNAYAMV-MRXNPFEDSA-N 2 2 320.477 3.180 20 0 DGADLP CCO[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610261 1106453946 /nfs/dbraw/zinc/45/39/46/1106453946.db2.gz AMPGZABKNCUPBA-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CCO[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610261 1106453948 /nfs/dbraw/zinc/45/39/48/1106453948.db2.gz AMPGZABKNCUPBA-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H](Cc1ccncc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256753569 1106479809 /nfs/dbraw/zinc/47/98/09/1106479809.db2.gz KRXPPTNSEHBSBC-INIZCTEOSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@@H](Cc1ccncc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256753569 1106479812 /nfs/dbraw/zinc/47/98/12/1106479812.db2.gz KRXPPTNSEHBSBC-INIZCTEOSA-N 2 2 301.478 3.351 20 0 DGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793993 1106484713 /nfs/dbraw/zinc/48/47/13/1106484713.db2.gz GBBYRUTZQLDCJQ-AABGKKOBSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793993 1106484717 /nfs/dbraw/zinc/48/47/17/1106484717.db2.gz GBBYRUTZQLDCJQ-AABGKKOBSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796623 1106485746 /nfs/dbraw/zinc/48/57/46/1106485746.db2.gz SHZLEMUFBDSZPT-ZIFCJYIRSA-N 2 2 300.446 3.123 20 0 DGADLP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796623 1106485747 /nfs/dbraw/zinc/48/57/47/1106485747.db2.gz SHZLEMUFBDSZPT-ZIFCJYIRSA-N 2 2 300.446 3.123 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001256906964 1106508095 /nfs/dbraw/zinc/50/80/95/1106508095.db2.gz WJZUYDOMBLFIKL-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1ccc(C2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001256906964 1106508099 /nfs/dbraw/zinc/50/80/99/1106508099.db2.gz WJZUYDOMBLFIKL-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccnc2C(F)(F)F)CC1 ZINC001257208943 1106551484 /nfs/dbraw/zinc/55/14/84/1106551484.db2.gz SWKNYTIAWSSFBX-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP CCC[C@H](CC)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001257262902 1106558608 /nfs/dbraw/zinc/55/86/08/1106558608.db2.gz OACLEFOWDXZTAI-SFHVURJKSA-N 2 2 318.509 3.429 20 0 DGADLP CCC[C@H](CC)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001257262902 1106558613 /nfs/dbraw/zinc/55/86/13/1106558613.db2.gz OACLEFOWDXZTAI-SFHVURJKSA-N 2 2 318.509 3.429 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001257397682 1106581181 /nfs/dbraw/zinc/58/11/81/1106581181.db2.gz ACYGKXSTROXMTK-CABCVRRESA-N 2 2 307.438 3.035 20 0 DGADLP CC[C@@H](C)[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001257444045 1106590231 /nfs/dbraw/zinc/59/02/31/1106590231.db2.gz QTMHZIQPERDXJO-SNVBAGLBSA-N 2 2 308.223 3.295 20 0 DGADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001257470767 1106594776 /nfs/dbraw/zinc/59/47/76/1106594776.db2.gz LUBNDMGZLVFYHF-HNJRGHQBSA-N 2 2 317.521 3.393 20 0 DGADLP CCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257510282 1106600296 /nfs/dbraw/zinc/60/02/96/1106600296.db2.gz NNSNFKOCERFFFC-KURKYZTESA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257510282 1106600299 /nfs/dbraw/zinc/60/02/99/1106600299.db2.gz NNSNFKOCERFFFC-KURKYZTESA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257510282 1106600300 /nfs/dbraw/zinc/60/03/00/1106600300.db2.gz NNSNFKOCERFFFC-KURKYZTESA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257510282 1106600304 /nfs/dbraw/zinc/60/03/04/1106600304.db2.gz NNSNFKOCERFFFC-KURKYZTESA-N 2 2 301.478 3.414 20 0 DGADLP CC(C)C[NH+]1CCC([NH+]2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258018324 1106659048 /nfs/dbraw/zinc/65/90/48/1106659048.db2.gz LJYCDLQISHKZBZ-UHFFFAOYSA-N 2 2 319.468 3.068 20 0 DGADLP CCOC(=O)CC1CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001258022865 1106660209 /nfs/dbraw/zinc/66/02/09/1106660209.db2.gz PJWBSGUKQJKTTK-WWDZGPRUSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@@H](Cc1ccco1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258177280 1106688500 /nfs/dbraw/zinc/68/85/00/1106688500.db2.gz QLKACMMSIHGCNP-NHYWBVRUSA-N 2 2 323.234 3.263 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001258405312 1106731023 /nfs/dbraw/zinc/73/10/23/1106731023.db2.gz CZBYWDHGDMKXQR-WDYCEAGBSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001258405312 1106731029 /nfs/dbraw/zinc/73/10/29/1106731029.db2.gz CZBYWDHGDMKXQR-WDYCEAGBSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001258405312 1106731034 /nfs/dbraw/zinc/73/10/34/1106731034.db2.gz CZBYWDHGDMKXQR-WDYCEAGBSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001258405312 1106731038 /nfs/dbraw/zinc/73/10/38/1106731038.db2.gz CZBYWDHGDMKXQR-WDYCEAGBSA-N 2 2 302.462 3.042 20 0 DGADLP CC[N@H+](C1CCN(c2cccc(F)c2)CC1)C1CC[NH+](C)CC1 ZINC001258423753 1106738223 /nfs/dbraw/zinc/73/82/23/1106738223.db2.gz OQCSBENQFYDDKU-UHFFFAOYSA-N 2 2 319.468 3.211 20 0 DGADLP CC[N@@H+](C1CCN(c2cccc(F)c2)CC1)C1CC[NH+](C)CC1 ZINC001258423753 1106738233 /nfs/dbraw/zinc/73/82/33/1106738233.db2.gz OQCSBENQFYDDKU-UHFFFAOYSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@H](CC1CC1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464613 1106760720 /nfs/dbraw/zinc/76/07/20/1106760720.db2.gz HGXMUQKQFWUWFY-KBMXLJTQSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464613 1106760731 /nfs/dbraw/zinc/76/07/31/1106760731.db2.gz HGXMUQKQFWUWFY-KBMXLJTQSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258464613 1106760747 /nfs/dbraw/zinc/76/07/47/1106760747.db2.gz HGXMUQKQFWUWFY-KBMXLJTQSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258464613 1106760761 /nfs/dbraw/zinc/76/07/61/1106760761.db2.gz HGXMUQKQFWUWFY-KBMXLJTQSA-N 2 2 305.491 3.228 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CC1CC1)[C@H]2C ZINC001258467085 1106762640 /nfs/dbraw/zinc/76/26/40/1106762640.db2.gz WJJYAFUJEDIKQP-CABCVRRESA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CC1CC1)[C@H]2C ZINC001258467085 1106762651 /nfs/dbraw/zinc/76/26/51/1106762651.db2.gz WJJYAFUJEDIKQP-CABCVRRESA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)CC1CC1)[C@H]2C ZINC001258467085 1106762658 /nfs/dbraw/zinc/76/26/58/1106762658.db2.gz WJJYAFUJEDIKQP-CABCVRRESA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)CC1CC1)[C@H]2C ZINC001258467085 1106762669 /nfs/dbraw/zinc/76/26/69/1106762669.db2.gz WJJYAFUJEDIKQP-CABCVRRESA-N 2 2 304.482 3.289 20 0 DGADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258535437 1106806809 /nfs/dbraw/zinc/80/68/09/1106806809.db2.gz JANHBRRDLUVEDO-OAHLLOKOSA-N 2 2 321.896 3.383 20 0 DGADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001258613693 1106851936 /nfs/dbraw/zinc/85/19/36/1106851936.db2.gz WVMMVZFKHCTCRM-PXNSSMCTSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001258616882 1106853170 /nfs/dbraw/zinc/85/31/70/1106853170.db2.gz CUCBILHZMZUMRR-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001258616882 1106853183 /nfs/dbraw/zinc/85/31/83/1106853183.db2.gz CUCBILHZMZUMRR-PXNSSMCTSA-N 2 2 309.457 3.267 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](c2cccnc2OC)C2CC2)CC1 ZINC001258771055 1106968609 /nfs/dbraw/zinc/96/86/09/1106968609.db2.gz YLFPPBFHOMUOEY-QGZVFWFLSA-N 2 2 303.450 3.005 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC001258830667 1107014189 /nfs/dbraw/zinc/01/41/89/1107014189.db2.gz RCQXKAFEAWXFNE-GOEBONIOSA-N 2 2 303.450 3.227 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258888707 1107038154 /nfs/dbraw/zinc/03/81/54/1107038154.db2.gz KENONBGDLLBUGE-MRXNPFEDSA-N 2 2 314.473 3.044 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258888707 1107038167 /nfs/dbraw/zinc/03/81/67/1107038167.db2.gz KENONBGDLLBUGE-MRXNPFEDSA-N 2 2 314.473 3.044 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001258898020 1107046546 /nfs/dbraw/zinc/04/65/46/1107046546.db2.gz FFPQMGHELRCSTM-SFHVURJKSA-N 3 2 317.521 3.219 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001321095978 1107249082 /nfs/dbraw/zinc/24/90/82/1107249082.db2.gz WESVRXYHWWGOQR-MRXNPFEDSA-N 2 2 309.457 3.090 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001321095978 1107249091 /nfs/dbraw/zinc/24/90/91/1107249091.db2.gz WESVRXYHWWGOQR-MRXNPFEDSA-N 2 2 309.457 3.090 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001321282838 1107312119 /nfs/dbraw/zinc/31/21/19/1107312119.db2.gz UDHGKKBBUMHUBK-GFCCVEGCSA-N 2 2 320.343 3.340 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCCC2)c1)n1cc[nH+]c1 ZINC001261503952 1107454037 /nfs/dbraw/zinc/45/40/37/1107454037.db2.gz QZYOBWYATKCUEK-OAHLLOKOSA-N 2 2 312.417 3.069 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)[nH+]c1C ZINC001262045386 1107592756 /nfs/dbraw/zinc/59/27/56/1107592756.db2.gz OMRKCAPAXSFWDJ-APWZRJJASA-N 2 2 324.428 3.022 20 0 DGADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(C3([NH3+])CC3)no2)c1 ZINC001262167325 1107636309 /nfs/dbraw/zinc/63/63/09/1107636309.db2.gz IRBNBMVBSMDROX-OAHLLOKOSA-N 2 2 312.417 3.053 20 0 DGADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(C3([NH3+])CC3)no2)c1 ZINC001262167325 1107636320 /nfs/dbraw/zinc/63/63/20/1107636320.db2.gz IRBNBMVBSMDROX-OAHLLOKOSA-N 2 2 312.417 3.053 20 0 DGADLP CCC(CC)C[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001322624323 1107718865 /nfs/dbraw/zinc/71/88/65/1107718865.db2.gz WANSNDWSKAOBGJ-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CC[N@@H+](Cc1cc(C)n[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001323324966 1107937295 /nfs/dbraw/zinc/93/72/95/1107937295.db2.gz YYXSXANLBQEYLF-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1cc(C)n[nH]1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001323324966 1107937306 /nfs/dbraw/zinc/93/73/06/1107937306.db2.gz YYXSXANLBQEYLF-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1cc(C)n[nH]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323324966 1107937314 /nfs/dbraw/zinc/93/73/14/1107937314.db2.gz YYXSXANLBQEYLF-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1cc(C)n[nH]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323324966 1107937322 /nfs/dbraw/zinc/93/73/22/1107937322.db2.gz YYXSXANLBQEYLF-SFHVURJKSA-N 2 2 312.461 3.062 20 0 DGADLP CCOC(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000379639665 1108035343 /nfs/dbraw/zinc/03/53/43/1108035343.db2.gz AXXJDACQDKMPJR-AEFFLSMTSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000379639665 1108035358 /nfs/dbraw/zinc/03/53/58/1108035358.db2.gz AXXJDACQDKMPJR-AEFFLSMTSA-N 2 2 320.477 3.028 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001323831160 1108097875 /nfs/dbraw/zinc/09/78/75/1108097875.db2.gz VGYZRAPBMPRJGT-GLJUWKHASA-N 2 2 320.864 3.170 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001323831160 1108097890 /nfs/dbraw/zinc/09/78/90/1108097890.db2.gz VGYZRAPBMPRJGT-GLJUWKHASA-N 2 2 320.864 3.170 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC001324317007 1108247886 /nfs/dbraw/zinc/24/78/86/1108247886.db2.gz VZYFAVPTUUZLNE-AWEZNQCLSA-N 2 2 320.396 3.393 20 0 DGADLP CCc1ccc(CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001324515994 1108325770 /nfs/dbraw/zinc/32/57/70/1108325770.db2.gz KCWKYGRJUNDYCT-IBGZPJMESA-N 2 2 311.473 3.480 20 0 DGADLP CCc1ccc(CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001324515994 1108325783 /nfs/dbraw/zinc/32/57/83/1108325783.db2.gz KCWKYGRJUNDYCT-IBGZPJMESA-N 2 2 311.473 3.480 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C)c1F ZINC001319316413 1108412679 /nfs/dbraw/zinc/41/26/79/1108412679.db2.gz UEGJCWNJCCUEDW-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP Cc1nsc(C)c1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308171504 1111390203 /nfs/dbraw/zinc/39/02/03/1111390203.db2.gz UMHODJSUEYJZGJ-CALCHBBNSA-N 2 2 305.491 3.068 20 0 DGADLP Cc1nsc(C)c1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308171504 1111390206 /nfs/dbraw/zinc/39/02/06/1111390206.db2.gz UMHODJSUEYJZGJ-CALCHBBNSA-N 2 2 305.491 3.068 20 0 DGADLP Cc1nsc(C)c1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308171504 1111390210 /nfs/dbraw/zinc/39/02/10/1111390210.db2.gz UMHODJSUEYJZGJ-CALCHBBNSA-N 2 2 305.491 3.068 20 0 DGADLP Cc1nsc(C)c1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308171504 1111390211 /nfs/dbraw/zinc/39/02/11/1111390211.db2.gz UMHODJSUEYJZGJ-CALCHBBNSA-N 2 2 305.491 3.068 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC001308194396 1111394529 /nfs/dbraw/zinc/39/45/29/1111394529.db2.gz CDUUNNLUROOUJH-RTBURBONSA-N 2 2 318.505 3.487 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC001308195622 1111395558 /nfs/dbraw/zinc/39/55/58/1111395558.db2.gz OLCHETVMMXLFSK-LBPRGKRZSA-N 2 2 300.793 3.263 20 0 DGADLP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001308219835 1111399847 /nfs/dbraw/zinc/39/98/47/1111399847.db2.gz RLERVQDUXMIVSC-PKOBYXMFSA-N 2 2 312.461 3.088 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C2CC2)n1 ZINC001308218118 1111400029 /nfs/dbraw/zinc/40/00/29/1111400029.db2.gz SPCYHEUJHWIZDU-CQSZACIVSA-N 2 2 304.463 3.422 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC001308327574 1111416992 /nfs/dbraw/zinc/41/69/92/1111416992.db2.gz MNPWPFLEIRZSTA-NBMJBFSESA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC001308327574 1111416994 /nfs/dbraw/zinc/41/69/94/1111416994.db2.gz MNPWPFLEIRZSTA-NBMJBFSESA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC001308327574 1111416996 /nfs/dbraw/zinc/41/69/96/1111416996.db2.gz MNPWPFLEIRZSTA-NBMJBFSESA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC001308327574 1111416998 /nfs/dbraw/zinc/41/69/98/1111416998.db2.gz MNPWPFLEIRZSTA-NBMJBFSESA-N 2 2 313.489 3.037 20 0 DGADLP CCCn1cncc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360704 1111421668 /nfs/dbraw/zinc/42/16/68/1111421668.db2.gz SJLILAICGCVNLH-HNNXBMFYSA-N 2 2 309.417 3.330 20 0 DGADLP Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001308375330 1111423186 /nfs/dbraw/zinc/42/31/86/1111423186.db2.gz XBUZCOUYBGCQCE-KRWDZBQOSA-N 2 2 324.359 3.020 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308459286 1111431583 /nfs/dbraw/zinc/43/15/83/1111431583.db2.gz OTHPLDFYYDGYKG-BZSNNMDCSA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001308459286 1111431585 /nfs/dbraw/zinc/43/15/85/1111431585.db2.gz OTHPLDFYYDGYKG-BZSNNMDCSA-N 2 2 302.462 3.197 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CC1 ZINC001308706124 1111463882 /nfs/dbraw/zinc/46/38/82/1111463882.db2.gz RRPKXNYMNXEDOS-SFHVURJKSA-N 2 2 324.415 3.070 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CC1 ZINC001308706124 1111463883 /nfs/dbraw/zinc/46/38/83/1111463883.db2.gz RRPKXNYMNXEDOS-SFHVURJKSA-N 2 2 324.415 3.070 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC001308985924 1111506113 /nfs/dbraw/zinc/50/61/13/1111506113.db2.gz BFSMNHQZMHYNOB-CYBMUJFWSA-N 2 2 322.884 3.437 20 0 DGADLP Cc1c[nH+]ccc1OC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000278361089 214115634 /nfs/dbraw/zinc/11/56/34/214115634.db2.gz CXAKNVGUUZZPDI-UHFFFAOYSA-N 2 2 322.412 3.325 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000129265583 432002557 /nfs/dbraw/zinc/00/25/57/432002557.db2.gz QPTWZDLOLVOETQ-OLZOCXBDSA-N 2 2 315.383 3.473 20 0 DGADLP COc1cccc([C@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278457322 214166852 /nfs/dbraw/zinc/16/68/52/214166852.db2.gz XDOAEHNNSIUPSP-QAPCUYQASA-N 2 2 320.502 3.175 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480180 214179768 /nfs/dbraw/zinc/17/97/68/214179768.db2.gz JFBBUOJMNQMQBC-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480180 214179771 /nfs/dbraw/zinc/17/97/71/214179771.db2.gz JFBBUOJMNQMQBC-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480180 214179775 /nfs/dbraw/zinc/17/97/75/214179775.db2.gz JFBBUOJMNQMQBC-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480180 214179778 /nfs/dbraw/zinc/17/97/78/214179778.db2.gz JFBBUOJMNQMQBC-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000278514404 214205112 /nfs/dbraw/zinc/20/51/12/214205112.db2.gz MJJUNWOKPYBDHN-PKOBYXMFSA-N 2 2 319.493 3.259 20 0 DGADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000278514404 214205114 /nfs/dbraw/zinc/20/51/14/214205114.db2.gz MJJUNWOKPYBDHN-PKOBYXMFSA-N 2 2 319.493 3.259 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(Br)c1)Cn1cc[nH+]c1 ZINC000062254630 432003327 /nfs/dbraw/zinc/00/33/27/432003327.db2.gz IWPLIOGJGGHFLA-LBPRGKRZSA-N 2 2 308.223 3.072 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C[C@@H]3CCCSC3)C2)cc1 ZINC000310004862 231110559 /nfs/dbraw/zinc/11/05/59/231110559.db2.gz UDWAKCKYVTUJFL-ZWKOTPCHSA-N 2 2 304.503 3.384 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@@H]3CCCSC3)C2)cc1 ZINC000310004862 231110563 /nfs/dbraw/zinc/11/05/63/231110563.db2.gz UDWAKCKYVTUJFL-ZWKOTPCHSA-N 2 2 304.503 3.384 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000322950331 231214082 /nfs/dbraw/zinc/21/40/82/231214082.db2.gz SNHWLNNFVYSASN-BJLQDIEVSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000322950331 231214086 /nfs/dbraw/zinc/21/40/86/231214086.db2.gz SNHWLNNFVYSASN-BJLQDIEVSA-N 2 2 307.441 3.387 20 0 DGADLP CCc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302032220 529533112 /nfs/dbraw/zinc/53/31/12/529533112.db2.gz CMMMRVFIXJAOFL-NVXWUHKLSA-N 2 2 316.493 3.438 20 0 DGADLP CCc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C)[nH+]1 ZINC000302032220 529533113 /nfs/dbraw/zinc/53/31/13/529533113.db2.gz CMMMRVFIXJAOFL-NVXWUHKLSA-N 2 2 316.493 3.438 20 0 DGADLP CCc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000302027802 529531917 /nfs/dbraw/zinc/53/19/17/529531917.db2.gz AMFYWGPHSIAHND-INIZCTEOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000302027802 529531918 /nfs/dbraw/zinc/53/19/18/529531918.db2.gz AMFYWGPHSIAHND-INIZCTEOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000415061514 529617124 /nfs/dbraw/zinc/61/71/24/529617124.db2.gz CVNGYDIGWLBYHN-GOSISDBHSA-N 2 2 313.445 3.059 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000090015032 185277955 /nfs/dbraw/zinc/27/79/55/185277955.db2.gz DZDUKSIRGQGVNF-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000090015032 185277956 /nfs/dbraw/zinc/27/79/56/185277956.db2.gz DZDUKSIRGQGVNF-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP CC(C)(C)c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000092648841 185331492 /nfs/dbraw/zinc/33/14/92/185331492.db2.gz SJAGCGXVOQNLLI-UHFFFAOYSA-N 2 2 304.463 3.474 20 0 DGADLP c1cn(C2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)c[nH+]1 ZINC000092659238 185331787 /nfs/dbraw/zinc/33/17/87/185331787.db2.gz ZLBFSEUIFXPGBW-UHFFFAOYSA-N 2 2 302.447 3.444 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](C3CC3)C3CCC3)[nH+]c2)C1 ZINC000453181556 282264710 /nfs/dbraw/zinc/26/47/10/282264710.db2.gz ZCNWWGJDXXWWTN-HKUYNNGSSA-N 2 2 314.477 3.213 20 0 DGADLP CCc1nc(C)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000426327695 529725195 /nfs/dbraw/zinc/72/51/95/529725195.db2.gz VPSKPDIVFIYOGJ-UHFFFAOYSA-N 2 2 305.466 3.432 20 0 DGADLP CCc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccccc1 ZINC000434663853 529770646 /nfs/dbraw/zinc/77/06/46/529770646.db2.gz RAOFCCQRFCHRSP-UHFFFAOYSA-N 2 2 301.459 3.296 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123971 529802075 /nfs/dbraw/zinc/80/20/75/529802075.db2.gz MVVHFOCYODINOE-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123971 529802076 /nfs/dbraw/zinc/80/20/76/529802076.db2.gz MVVHFOCYODINOE-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123971 529802077 /nfs/dbraw/zinc/80/20/77/529802077.db2.gz MVVHFOCYODINOE-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)s3)C2)C1 ZINC000430123971 529802078 /nfs/dbraw/zinc/80/20/78/529802078.db2.gz MVVHFOCYODINOE-CYBMUJFWSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1cc(F)c(F)c(F)c1 ZINC000444608338 529886896 /nfs/dbraw/zinc/88/68/96/529886896.db2.gz LHRHUDJQWIFQCO-UHFFFAOYSA-N 2 2 300.368 3.412 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cc(F)c(F)c(F)c1 ZINC000444608338 529886897 /nfs/dbraw/zinc/88/68/97/529886897.db2.gz LHRHUDJQWIFQCO-UHFFFAOYSA-N 2 2 300.368 3.412 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1C ZINC000425388111 282320194 /nfs/dbraw/zinc/32/01/94/282320194.db2.gz VXRCYUIIXIMVGA-OTWHNJEPSA-N 2 2 324.472 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1C ZINC000425388111 282320197 /nfs/dbraw/zinc/32/01/97/282320197.db2.gz VXRCYUIIXIMVGA-OTWHNJEPSA-N 2 2 324.472 3.254 20 0 DGADLP CN(Cc1[nH+]ccn1C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000272757660 210161044 /nfs/dbraw/zinc/16/10/44/210161044.db2.gz KWVFPLFBPQZHEX-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP CN(Cc1[nH+]ccn1C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000272757660 210161049 /nfs/dbraw/zinc/16/10/49/210161049.db2.gz KWVFPLFBPQZHEX-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP C[NH2+]CCC[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000435884974 529964516 /nfs/dbraw/zinc/96/45/16/529964516.db2.gz ZDEKJDLIDRWOCH-UHFFFAOYSA-N 2 2 304.459 3.368 20 0 DGADLP C[NH2+]CCC[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000435884974 529964518 /nfs/dbraw/zinc/96/45/18/529964518.db2.gz ZDEKJDLIDRWOCH-UHFFFAOYSA-N 2 2 304.459 3.368 20 0 DGADLP CC[N@@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@H](C)C1 ZINC000130014924 432013127 /nfs/dbraw/zinc/01/31/27/432013127.db2.gz QZEDGFILOMVOFQ-NVXWUHKLSA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@H](C)C1 ZINC000130014924 432013128 /nfs/dbraw/zinc/01/31/28/432013128.db2.gz QZEDGFILOMVOFQ-NVXWUHKLSA-N 2 2 302.466 3.214 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000272664858 210069692 /nfs/dbraw/zinc/06/96/92/210069692.db2.gz IPYJNEXZXBUAEF-UHFFFAOYSA-N 2 2 316.367 3.072 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccn1 ZINC000272663199 210068432 /nfs/dbraw/zinc/06/84/32/210068432.db2.gz IFKJJIAPQXQXMO-GFCCVEGCSA-N 2 2 301.356 3.149 20 0 DGADLP Oc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121371565 185788730 /nfs/dbraw/zinc/78/87/30/185788730.db2.gz PSEHTZQTFFMESJ-KRWDZBQOSA-N 2 2 309.413 3.033 20 0 DGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)cc1F ZINC000126585321 185876391 /nfs/dbraw/zinc/87/63/91/185876391.db2.gz OJYUWCJZYKACFF-JTQLQIEISA-N 2 2 303.219 3.191 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000279959133 215271140 /nfs/dbraw/zinc/27/11/40/215271140.db2.gz PBGNLZGRZRXHBL-HUUCEWRRSA-N 2 2 317.433 3.072 20 0 DGADLP Brc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869059 432023332 /nfs/dbraw/zinc/02/33/32/432023332.db2.gz ZJNRCWJDQISDEK-UONOGXRCSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869059 432023334 /nfs/dbraw/zinc/02/33/34/432023334.db2.gz ZJNRCWJDQISDEK-UONOGXRCSA-N 2 2 309.251 3.166 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152432731 186072417 /nfs/dbraw/zinc/07/24/17/186072417.db2.gz CQIBVCCSSVICNV-WBVHZDCISA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152432731 186072419 /nfs/dbraw/zinc/07/24/19/186072419.db2.gz CQIBVCCSSVICNV-WBVHZDCISA-N 3 2 324.472 3.316 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152495026 186078861 /nfs/dbraw/zinc/07/88/61/186078861.db2.gz KFULICPYKMLZOE-HOTGVXAUSA-N 2 2 301.434 3.322 20 0 DGADLP CCc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000130452734 432025849 /nfs/dbraw/zinc/02/58/49/432025849.db2.gz AYUUCKQETXUPQG-UHFFFAOYSA-N 2 2 309.413 3.419 20 0 DGADLP CC(C)c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(C(C)C)[nH+]1 ZINC000270464637 186398439 /nfs/dbraw/zinc/39/84/39/186398439.db2.gz DYPGSQWXBGULBP-OAHLLOKOSA-N 2 2 300.450 3.174 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277257642 213399536 /nfs/dbraw/zinc/39/95/36/213399536.db2.gz WIFDADGCMSWHQT-OAHLLOKOSA-N 2 2 313.445 3.472 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+](C)CCn1cc[nH+]c1 ZINC000130779129 432029123 /nfs/dbraw/zinc/02/91/23/432029123.db2.gz INHABRXTKJAMFH-LBPRGKRZSA-N 2 2 308.223 3.339 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+](C)CCn1cc[nH+]c1 ZINC000130779129 432029126 /nfs/dbraw/zinc/02/91/26/432029126.db2.gz INHABRXTKJAMFH-LBPRGKRZSA-N 2 2 308.223 3.339 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2Br)C1 ZINC000072859671 191241765 /nfs/dbraw/zinc/24/17/65/191241765.db2.gz XETGKJIVKJBBGQ-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2Br)C1 ZINC000072859671 191241768 /nfs/dbraw/zinc/24/17/68/191241768.db2.gz XETGKJIVKJBBGQ-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000072859671 191241772 /nfs/dbraw/zinc/24/17/72/191241772.db2.gz XETGKJIVKJBBGQ-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000072859671 191241773 /nfs/dbraw/zinc/24/17/73/191241773.db2.gz XETGKJIVKJBBGQ-ZDUSSCGKSA-N 2 2 311.267 3.223 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980911 191262759 /nfs/dbraw/zinc/26/27/59/191262759.db2.gz GMXHMUWWPNBXRW-SFHVURJKSA-N 2 2 312.461 3.179 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980911 191262762 /nfs/dbraw/zinc/26/27/62/191262762.db2.gz GMXHMUWWPNBXRW-SFHVURJKSA-N 2 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980911 191262765 /nfs/dbraw/zinc/26/27/65/191262765.db2.gz GMXHMUWWPNBXRW-SFHVURJKSA-N 2 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnn(-c2ccccc2)c1 ZINC000072980911 191262768 /nfs/dbraw/zinc/26/27/68/191262768.db2.gz GMXHMUWWPNBXRW-SFHVURJKSA-N 2 2 312.461 3.179 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000173617177 198232229 /nfs/dbraw/zinc/23/22/29/198232229.db2.gz ZWZFIRXDKOVCQP-CYBMUJFWSA-N 2 2 323.868 3.129 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277135938 213318148 /nfs/dbraw/zinc/31/81/48/213318148.db2.gz IRPCWZRVJSRYGY-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277135938 213318152 /nfs/dbraw/zinc/31/81/52/213318152.db2.gz IRPCWZRVJSRYGY-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2sccc2Br)C1 ZINC000173891023 198265185 /nfs/dbraw/zinc/26/51/85/198265185.db2.gz LQKHQSDSKJHSQP-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2sccc2Br)C1 ZINC000173891023 198265186 /nfs/dbraw/zinc/26/51/86/198265186.db2.gz LQKHQSDSKJHSQP-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000173891023 198265188 /nfs/dbraw/zinc/26/51/88/198265188.db2.gz LQKHQSDSKJHSQP-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000173891023 198265190 /nfs/dbraw/zinc/26/51/90/198265190.db2.gz LQKHQSDSKJHSQP-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000174224930 198307979 /nfs/dbraw/zinc/30/79/79/198307979.db2.gz VCWZVPAWUXXFGU-MRXNPFEDSA-N 2 2 312.461 3.102 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nc3ccccc3nc2C)C1 ZINC000174224930 198307981 /nfs/dbraw/zinc/30/79/81/198307981.db2.gz VCWZVPAWUXXFGU-MRXNPFEDSA-N 2 2 312.461 3.102 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000124268549 295864156 /nfs/dbraw/zinc/86/41/56/295864156.db2.gz JCOHTHBIEHYPMJ-LBPRGKRZSA-N 2 2 317.260 3.194 20 0 DGADLP COc1ccc(CC[N@H+](CCn2cc[nH+]c2)CC(C)(C)C)cc1 ZINC000131356922 432037027 /nfs/dbraw/zinc/03/70/27/432037027.db2.gz ZSPCXCNTBJRWCI-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP COc1ccc(CC[N@@H+](CCn2cc[nH+]c2)CC(C)(C)C)cc1 ZINC000131356922 432037030 /nfs/dbraw/zinc/03/70/30/432037030.db2.gz ZSPCXCNTBJRWCI-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP c1ccc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000131798602 432038614 /nfs/dbraw/zinc/03/86/14/432038614.db2.gz GTRRYPRYJKMSKT-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP c1ccc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000131798602 432038616 /nfs/dbraw/zinc/03/86/16/432038616.db2.gz GTRRYPRYJKMSKT-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000107775317 432041017 /nfs/dbraw/zinc/04/10/17/432041017.db2.gz XWZMXDHMTHYUFG-VXGBXAGGSA-N 2 2 316.417 3.452 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000107775317 432041020 /nfs/dbraw/zinc/04/10/20/432041020.db2.gz XWZMXDHMTHYUFG-VXGBXAGGSA-N 2 2 316.417 3.452 20 0 DGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[NH+]1CCCC1)CCC2 ZINC000179099513 432040848 /nfs/dbraw/zinc/04/08/48/432040848.db2.gz KDUFTTNOJKHZHL-GOSISDBHSA-N 2 2 300.446 3.074 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163838448 432043379 /nfs/dbraw/zinc/04/33/79/432043379.db2.gz KAIGSVVPWYVQSJ-MRXNPFEDSA-N 3 2 321.428 3.420 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000163838448 432043383 /nfs/dbraw/zinc/04/33/83/432043383.db2.gz KAIGSVVPWYVQSJ-MRXNPFEDSA-N 2 2 321.428 3.420 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CC3 ZINC000272277475 209660830 /nfs/dbraw/zinc/66/08/30/209660830.db2.gz MGFLPWYBNUACLD-GJZGRUSLSA-N 2 2 308.429 3.208 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000165384639 432055735 /nfs/dbraw/zinc/05/57/35/432055735.db2.gz GLDKLPKLRHGEJY-LPHOPBHVSA-N 2 2 320.452 3.195 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1OC ZINC000166297523 432059476 /nfs/dbraw/zinc/05/94/76/432059476.db2.gz UROGTQAMRQTWPJ-ZQIUZPCESA-N 2 2 318.461 3.117 20 0 DGADLP COCc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1OC ZINC000166297523 432059479 /nfs/dbraw/zinc/05/94/79/432059479.db2.gz UROGTQAMRQTWPJ-ZQIUZPCESA-N 2 2 318.461 3.117 20 0 DGADLP Cc1nc(C)c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000177829083 198785275 /nfs/dbraw/zinc/78/52/75/198785275.db2.gz WHVNSILYZMBACE-LLVKDONJSA-N 2 2 300.431 3.301 20 0 DGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000166897969 432062900 /nfs/dbraw/zinc/06/29/00/432062900.db2.gz NURVYTAPAFOBEN-ZDUSSCGKSA-N 2 2 300.406 3.142 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000133508557 432065715 /nfs/dbraw/zinc/06/57/15/432065715.db2.gz CFXKDRAQUFGPPF-HKUYNNGSSA-N 2 2 324.472 3.227 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000133508557 432065716 /nfs/dbraw/zinc/06/57/16/432065716.db2.gz CFXKDRAQUFGPPF-HKUYNNGSSA-N 2 2 324.472 3.227 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405554 432065943 /nfs/dbraw/zinc/06/59/43/432065943.db2.gz MELLNKQFYXSJKA-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405554 432065945 /nfs/dbraw/zinc/06/59/45/432065945.db2.gz MELLNKQFYXSJKA-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP CCCN(CC[NH+]1CCCCCC1)c1[nH+]cnc2[nH]ccc21 ZINC000341046925 283258684 /nfs/dbraw/zinc/25/86/84/283258684.db2.gz NMNQEPSBDJEAPE-UHFFFAOYSA-N 2 2 301.438 3.050 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)c[nH+]1 ZINC000168951085 432070486 /nfs/dbraw/zinc/07/04/86/432070486.db2.gz MWKLGIVLOFESKA-QRVBRYPASA-N 2 2 323.440 3.310 20 0 DGADLP COc1ccc(CCC[N@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000179797310 432071159 /nfs/dbraw/zinc/07/11/59/432071159.db2.gz KHFLHZZHPADURF-UHFFFAOYSA-N 2 2 309.413 3.408 20 0 DGADLP COc1ccc(CCC[N@@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000179797310 432071161 /nfs/dbraw/zinc/07/11/61/432071161.db2.gz KHFLHZZHPADURF-UHFFFAOYSA-N 2 2 309.413 3.408 20 0 DGADLP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000415018643 237010703 /nfs/dbraw/zinc/01/07/03/237010703.db2.gz UTASXNYUQYWUNN-HNNXBMFYSA-N 3 2 323.912 3.412 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000415068214 237052237 /nfs/dbraw/zinc/05/22/37/237052237.db2.gz QRKWTECLDGZUSB-MNEFBYGVSA-N 3 2 307.526 3.137 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)cc1 ZINC000415055389 237038616 /nfs/dbraw/zinc/03/86/16/237038616.db2.gz ORTAOCLSNVQESD-HNNXBMFYSA-N 2 2 319.474 3.282 20 0 DGADLP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415038375 237026183 /nfs/dbraw/zinc/02/61/83/237026183.db2.gz NHSAOINBFGGOGZ-QAPCUYQASA-N 3 2 321.896 3.021 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC000415040753 237027949 /nfs/dbraw/zinc/02/79/49/237027949.db2.gz KIWMFFMBARNJKZ-DOTOQJQBSA-N 2 2 316.832 3.194 20 0 DGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)cc1Br ZINC000415102259 237075918 /nfs/dbraw/zinc/07/59/18/237075918.db2.gz IMZWEUHHYUFVTL-ZWNOBZJWSA-N 2 2 315.230 3.208 20 0 DGADLP CCn1cc[nH+]c1[C@H]1CCCCN1Cc1cc(OC)cc(C)[nH+]1 ZINC000281070726 216059871 /nfs/dbraw/zinc/05/98/71/216059871.db2.gz IHNXZZNWPUMJBG-QGZVFWFLSA-N 2 2 314.433 3.342 20 0 DGADLP Cc1cccc(Oc2cc(C[NH2+][C@H]3CCC[C@H]3[NH3+])ccn2)c1C ZINC000422800719 237799621 /nfs/dbraw/zinc/79/96/21/237799621.db2.gz ADFHFARULRYJDY-SJORKVTESA-N 2 2 311.429 3.460 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000423123345 237826056 /nfs/dbraw/zinc/82/60/56/237826056.db2.gz LGIBHCINHPHJQY-ILXRZTDVSA-N 2 2 316.420 3.397 20 0 DGADLP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@@H]3[NH2+]CCCC3(C)C)cc12 ZINC000423388931 237846603 /nfs/dbraw/zinc/84/66/03/237846603.db2.gz NFNXSGYGTULGAO-DOMZBBRYSA-N 2 2 320.506 3.372 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1C ZINC000281208848 216155763 /nfs/dbraw/zinc/15/57/63/216155763.db2.gz CZCUEHAMEGYMJO-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC000281208848 216155765 /nfs/dbraw/zinc/15/57/65/216155765.db2.gz CZCUEHAMEGYMJO-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP FC(F)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856939 238004040 /nfs/dbraw/zinc/00/40/40/238004040.db2.gz PAVZKMUDNSZSFA-HUUCEWRRSA-N 2 2 305.372 3.054 20 0 DGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906525 432089751 /nfs/dbraw/zinc/08/97/51/432089751.db2.gz URYHPRQXEDUUFI-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906525 432089752 /nfs/dbraw/zinc/08/97/52/432089752.db2.gz URYHPRQXEDUUFI-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134906525 432089754 /nfs/dbraw/zinc/08/97/54/432089754.db2.gz URYHPRQXEDUUFI-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134906525 432089755 /nfs/dbraw/zinc/08/97/55/432089755.db2.gz URYHPRQXEDUUFI-FZKQIMNGSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000429239995 238044599 /nfs/dbraw/zinc/04/45/99/238044599.db2.gz SICCZLLYXJXBFR-AEFFLSMTSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000429239995 238044600 /nfs/dbraw/zinc/04/46/00/238044600.db2.gz SICCZLLYXJXBFR-AEFFLSMTSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000429239995 238044602 /nfs/dbraw/zinc/04/46/02/238044602.db2.gz SICCZLLYXJXBFR-AEFFLSMTSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000429239995 238044603 /nfs/dbraw/zinc/04/46/03/238044603.db2.gz SICCZLLYXJXBFR-AEFFLSMTSA-N 2 2 319.468 3.211 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1 ZINC000428874427 238033093 /nfs/dbraw/zinc/03/30/93/238033093.db2.gz NEVSPSNXGSENPR-OLZOCXBDSA-N 2 2 305.422 3.152 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1 ZINC000428874427 238033094 /nfs/dbraw/zinc/03/30/94/238033094.db2.gz NEVSPSNXGSENPR-OLZOCXBDSA-N 2 2 305.422 3.152 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1 ZINC000428874425 238033320 /nfs/dbraw/zinc/03/33/20/238033320.db2.gz NEVSPSNXGSENPR-CHWSQXEVSA-N 2 2 305.422 3.152 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1 ZINC000428874425 238033321 /nfs/dbraw/zinc/03/33/21/238033321.db2.gz NEVSPSNXGSENPR-CHWSQXEVSA-N 2 2 305.422 3.152 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000430550735 238079285 /nfs/dbraw/zinc/07/92/85/238079285.db2.gz ZODCJLDFPIFJEF-SOUVJXGZSA-N 2 2 314.433 3.165 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000430550735 238079286 /nfs/dbraw/zinc/07/92/86/238079286.db2.gz ZODCJLDFPIFJEF-SOUVJXGZSA-N 2 2 314.433 3.165 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554599 238079568 /nfs/dbraw/zinc/07/95/68/238079568.db2.gz GKHYLXGDIWEGFU-HOCLYGCPSA-N 2 2 315.486 3.293 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554599 238079569 /nfs/dbraw/zinc/07/95/69/238079569.db2.gz GKHYLXGDIWEGFU-HOCLYGCPSA-N 2 2 315.486 3.293 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563405 238079917 /nfs/dbraw/zinc/07/99/17/238079917.db2.gz IXHOSRLYJXUGBE-YPMHNXCESA-N 2 2 321.371 3.179 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563405 238079918 /nfs/dbraw/zinc/07/99/18/238079918.db2.gz IXHOSRLYJXUGBE-YPMHNXCESA-N 2 2 321.371 3.179 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000430567486 238080513 /nfs/dbraw/zinc/08/05/13/238080513.db2.gz DPHRNUBKSHELLB-MOPGFXCFSA-N 2 2 310.441 3.435 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000430567486 238080516 /nfs/dbraw/zinc/08/05/16/238080516.db2.gz DPHRNUBKSHELLB-MOPGFXCFSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000430641392 238081995 /nfs/dbraw/zinc/08/19/95/238081995.db2.gz SQABLDLMZQPMJR-OAHLLOKOSA-N 2 2 323.440 3.104 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650346 238082397 /nfs/dbraw/zinc/08/23/97/238082397.db2.gz UTOLARVJVPPFRJ-QFBILLFUSA-N 2 2 323.440 3.037 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650346 238082398 /nfs/dbraw/zinc/08/23/98/238082398.db2.gz UTOLARVJVPPFRJ-QFBILLFUSA-N 2 2 323.440 3.037 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000430876578 238088930 /nfs/dbraw/zinc/08/89/30/238088930.db2.gz RJNWRVJYDNKVDL-HZPDHXFCSA-N 2 2 312.417 3.313 20 0 DGADLP C[C@@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000430954679 238091145 /nfs/dbraw/zinc/09/11/45/238091145.db2.gz KEFQHFJOSMKNFF-PBHICJAKSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000430954679 238091147 /nfs/dbraw/zinc/09/11/47/238091147.db2.gz KEFQHFJOSMKNFF-PBHICJAKSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(C3CCC3)s2)CCCO1 ZINC000432349163 238126028 /nfs/dbraw/zinc/12/60/28/238126028.db2.gz WHPOMFSIAMNYGD-AWEZNQCLSA-N 2 2 323.506 3.001 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(C3CCC3)s2)CCCO1 ZINC000432349163 238126029 /nfs/dbraw/zinc/12/60/29/238126029.db2.gz WHPOMFSIAMNYGD-AWEZNQCLSA-N 2 2 323.506 3.001 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433333153 238156174 /nfs/dbraw/zinc/15/61/74/238156174.db2.gz FOYYFNNSUHSTGY-GJZGRUSLSA-N 2 2 316.449 3.127 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@H](CC(C)C)C3)n2c1 ZINC000271989250 209363792 /nfs/dbraw/zinc/36/37/92/209363792.db2.gz LKKSLOZDFRXZGR-DOTOQJQBSA-N 2 2 301.434 3.326 20 0 DGADLP c1ccc2nc(N3CCCCC3)c(C[N@@H+]3CCC[NH2+]CC3)cc2c1 ZINC000435379764 238296841 /nfs/dbraw/zinc/29/68/41/238296841.db2.gz KRRROKSNJQOKAC-UHFFFAOYSA-N 2 2 324.472 3.020 20 0 DGADLP c1ccc2nc(N3CCCCC3)c(C[N@H+]3CCC[NH2+]CC3)cc2c1 ZINC000435379764 238296845 /nfs/dbraw/zinc/29/68/45/238296845.db2.gz KRRROKSNJQOKAC-UHFFFAOYSA-N 2 2 324.472 3.020 20 0 DGADLP Cc1nc2sccn2c1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000268475655 432093568 /nfs/dbraw/zinc/09/35/68/432093568.db2.gz JHUPCSXAAWOPLR-AWEZNQCLSA-N 2 2 306.479 3.010 20 0 DGADLP Cc1nc2sccn2c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000268475655 432093574 /nfs/dbraw/zinc/09/35/74/432093574.db2.gz JHUPCSXAAWOPLR-AWEZNQCLSA-N 2 2 306.479 3.010 20 0 DGADLP Cc1nc2sccn2c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000268475655 432093578 /nfs/dbraw/zinc/09/35/78/432093578.db2.gz JHUPCSXAAWOPLR-AWEZNQCLSA-N 2 2 306.479 3.010 20 0 DGADLP Cc1nc2sccn2c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000268475655 432093581 /nfs/dbraw/zinc/09/35/81/432093581.db2.gz JHUPCSXAAWOPLR-AWEZNQCLSA-N 2 2 306.479 3.010 20 0 DGADLP O[C@@H](C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889766 209298818 /nfs/dbraw/zinc/29/88/18/209298818.db2.gz DOJUHHHDYBFILB-MSOLQXFVSA-N 2 2 317.408 3.000 20 0 DGADLP O[C@@H](C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889766 209298819 /nfs/dbraw/zinc/29/88/19/209298819.db2.gz DOJUHHHDYBFILB-MSOLQXFVSA-N 2 2 317.408 3.000 20 0 DGADLP c1cc(CCC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc2c1OCC2 ZINC000193241840 201011976 /nfs/dbraw/zinc/01/19/76/201011976.db2.gz DILREXSLNARQQV-LJQANCHMSA-N 2 2 314.473 3.114 20 0 DGADLP c1cc(CCC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc2c1OCC2 ZINC000193241840 201011977 /nfs/dbraw/zinc/01/19/77/201011977.db2.gz DILREXSLNARQQV-LJQANCHMSA-N 2 2 314.473 3.114 20 0 DGADLP c1cc(CCC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc2c1OCC2 ZINC000193241862 201012235 /nfs/dbraw/zinc/01/22/35/201012235.db2.gz DILREXSLNARQQV-IBGZPJMESA-N 2 2 314.473 3.114 20 0 DGADLP c1cc(CCC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc2c1OCC2 ZINC000193241862 201012237 /nfs/dbraw/zinc/01/22/37/201012237.db2.gz DILREXSLNARQQV-IBGZPJMESA-N 2 2 314.473 3.114 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758605 239120714 /nfs/dbraw/zinc/12/07/14/239120714.db2.gz PDYSKWKUDHSPOL-GOEBONIOSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758605 239120717 /nfs/dbraw/zinc/12/07/17/239120717.db2.gz PDYSKWKUDHSPOL-GOEBONIOSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCC(C)CC1 ZINC000442789530 239124812 /nfs/dbraw/zinc/12/48/12/239124812.db2.gz DZVUFPOFEJXRBI-CVEARBPZSA-N 2 2 311.473 3.345 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000194979094 201320799 /nfs/dbraw/zinc/32/07/99/201320799.db2.gz ACIMAGBNTLFYEO-QFBILLFUSA-N 2 2 312.461 3.391 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000195070441 201334783 /nfs/dbraw/zinc/33/47/83/201334783.db2.gz UURXBEACHAISAO-YJBOKZPZSA-N 2 2 306.450 3.244 20 0 DGADLP Cn1c2c(cccc2F)[nH+]c1N1CCC([NH+]2CCCCC2)CC1 ZINC000443507218 239204866 /nfs/dbraw/zinc/20/48/66/239204866.db2.gz GBQHTPGLECVGOV-UHFFFAOYSA-N 2 2 316.424 3.167 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443999123 239248038 /nfs/dbraw/zinc/24/80/38/239248038.db2.gz XWKVRVNOAXIVOY-UHFFFAOYSA-N 2 2 301.337 3.198 20 0 DGADLP Oc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1Cl ZINC000292941651 223319817 /nfs/dbraw/zinc/31/98/17/223319817.db2.gz AGNPZHJDIZNIEC-UHFFFAOYSA-N 2 2 305.809 3.423 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000246186088 432103394 /nfs/dbraw/zinc/10/33/94/432103394.db2.gz WSNDETIENIQAIB-JTDSTZFVSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)C2CC2)C[C@H](C)O1 ZINC000246186088 432103399 /nfs/dbraw/zinc/10/33/99/432103399.db2.gz WSNDETIENIQAIB-JTDSTZFVSA-N 2 2 302.462 3.227 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccncc3F)CC2)cc1 ZINC000449094002 240015184 /nfs/dbraw/zinc/01/51/84/240015184.db2.gz YBNDFDWQHVMXHC-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2F)CC[N@@H+]1Cc1ccccc1 ZINC000449171475 240051320 /nfs/dbraw/zinc/05/13/20/240051320.db2.gz AIGJNLAWNXZHOA-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2F)CC[N@H+]1Cc1ccccc1 ZINC000449171475 240051323 /nfs/dbraw/zinc/05/13/23/240051323.db2.gz AIGJNLAWNXZHOA-QAPCUYQASA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1cc(F)cc(F)c1 ZINC000449178986 240054385 /nfs/dbraw/zinc/05/43/85/240054385.db2.gz USWNUWSTPXOMEZ-BLLLJJGKSA-N 2 2 314.445 3.095 20 0 DGADLP Cc1cccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1F ZINC000449187863 240058701 /nfs/dbraw/zinc/05/87/01/240058701.db2.gz RHVDHAGSCLZNNQ-UHFFFAOYSA-N 2 2 308.441 3.113 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCC34CCC4)[nH+]c2)C1 ZINC000449202509 240066499 /nfs/dbraw/zinc/06/64/99/240066499.db2.gz FTTITMGEJLSZIY-IAGOWNOFSA-N 2 2 314.477 3.357 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000449230124 240080272 /nfs/dbraw/zinc/08/02/72/240080272.db2.gz HSSOQBQYFMRJQR-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000449230124 240080274 /nfs/dbraw/zinc/08/02/74/240080274.db2.gz HSSOQBQYFMRJQR-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1F ZINC000449232958 240082018 /nfs/dbraw/zinc/08/20/18/240082018.db2.gz WQGHYGNMACUXOD-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1F ZINC000449232958 240082020 /nfs/dbraw/zinc/08/20/20/240082020.db2.gz WQGHYGNMACUXOD-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000449350925 240149500 /nfs/dbraw/zinc/14/95/00/240149500.db2.gz MBRVQCGULLWFIX-UONOGXRCSA-N 2 2 319.836 3.430 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCOCC1 ZINC000449352666 240152156 /nfs/dbraw/zinc/15/21/56/240152156.db2.gz XLXSQMCFCJHXDH-CYBMUJFWSA-N 2 2 305.809 3.184 20 0 DGADLP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449378022 240163080 /nfs/dbraw/zinc/16/30/80/240163080.db2.gz QCXRFWOANQHHGQ-MRXNPFEDSA-N 2 2 323.431 3.461 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449386974 240169098 /nfs/dbraw/zinc/16/90/98/240169098.db2.gz KFEKWMZJXGOVGX-UFYCRDLUSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000449386974 240169101 /nfs/dbraw/zinc/16/91/01/240169101.db2.gz KFEKWMZJXGOVGX-UFYCRDLUSA-N 2 2 316.489 3.068 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449390238 240170984 /nfs/dbraw/zinc/17/09/84/240170984.db2.gz VLTQFHWJJKAAMM-RLFYNMQTSA-N 2 2 324.896 3.268 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449390238 240170991 /nfs/dbraw/zinc/17/09/91/240170991.db2.gz VLTQFHWJJKAAMM-RLFYNMQTSA-N 2 2 324.896 3.268 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000449388227 240171749 /nfs/dbraw/zinc/17/17/49/240171749.db2.gz OQTILPHKEKXCBD-HSALFYBXSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000449388227 240171759 /nfs/dbraw/zinc/17/17/59/240171759.db2.gz OQTILPHKEKXCBD-HSALFYBXSA-N 2 2 316.489 3.149 20 0 DGADLP CCC[C@@H](C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000449394217 240173203 /nfs/dbraw/zinc/17/32/03/240173203.db2.gz FLTJBEAYPJVFRJ-RBUKOAKNSA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000449394217 240173207 /nfs/dbraw/zinc/17/32/07/240173207.db2.gz FLTJBEAYPJVFRJ-RBUKOAKNSA-N 2 2 304.478 3.007 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000449397536 240173217 /nfs/dbraw/zinc/17/32/17/240173217.db2.gz QJFFHQNQAXVIOK-NXYGQSRBSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000449397536 240173220 /nfs/dbraw/zinc/17/32/20/240173220.db2.gz QJFFHQNQAXVIOK-NXYGQSRBSA-N 2 2 322.880 3.022 20 0 DGADLP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449405941 240182821 /nfs/dbraw/zinc/18/28/21/240182821.db2.gz PUCPDSWXBRUWKF-SJORKVTESA-N 2 2 324.509 3.210 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449452854 240213141 /nfs/dbraw/zinc/21/31/41/240213141.db2.gz LYTKBBMCAIOYBO-OTWHNJEPSA-N 2 2 302.462 3.338 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449452854 240213148 /nfs/dbraw/zinc/21/31/48/240213148.db2.gz LYTKBBMCAIOYBO-OTWHNJEPSA-N 2 2 302.462 3.338 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449469653 240223946 /nfs/dbraw/zinc/22/39/46/240223946.db2.gz UXSNGCFILUDSPY-NVXWUHKLSA-N 2 2 315.486 3.419 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449469653 240223951 /nfs/dbraw/zinc/22/39/51/240223951.db2.gz UXSNGCFILUDSPY-NVXWUHKLSA-N 2 2 315.486 3.419 20 0 DGADLP CO[C@@](C)(C[NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1 ZINC000449485109 240238096 /nfs/dbraw/zinc/23/80/96/240238096.db2.gz OWXFMNOVYQQDTA-IBGZPJMESA-N 2 2 309.413 3.294 20 0 DGADLP C[C@@H](C[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000449554205 240284214 /nfs/dbraw/zinc/28/42/14/240284214.db2.gz BEFYHPUTNUZCBL-ZOODHJKOSA-N 2 2 300.368 3.491 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)ccc1OCC(C)C ZINC000171131813 432105518 /nfs/dbraw/zinc/10/55/18/432105518.db2.gz XBCXAVUTYDPHNF-ZDUSSCGKSA-N 2 2 303.406 3.304 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)C3(O)CCCC3)n2c1 ZINC000449735897 240389661 /nfs/dbraw/zinc/38/96/61/240389661.db2.gz KJHXFSCJMYWHSZ-UHFFFAOYSA-N 2 2 301.434 3.064 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCC3(C)C)c2cc1C ZINC000180936448 432106013 /nfs/dbraw/zinc/10/60/13/432106013.db2.gz IANOUUBOGAXWKA-QAPCUYQASA-N 2 2 315.461 3.182 20 0 DGADLP Cc1cc(C)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449737119 240392586 /nfs/dbraw/zinc/39/25/86/240392586.db2.gz YPCLVJCINCDQMZ-UHFFFAOYSA-N 2 2 315.383 3.205 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000091287728 193032250 /nfs/dbraw/zinc/03/22/50/193032250.db2.gz CLDWHCLQUSTHOY-STQMWFEESA-N 2 2 320.868 3.219 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)C1 ZINC000091287728 193032253 /nfs/dbraw/zinc/03/22/53/193032253.db2.gz CLDWHCLQUSTHOY-STQMWFEESA-N 2 2 320.868 3.219 20 0 DGADLP C[C@H]1CC[N@H+](CCOc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246227634 432108798 /nfs/dbraw/zinc/10/87/98/432108798.db2.gz FNOVSAJXJAGUPG-GOEBONIOSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246227634 432108800 /nfs/dbraw/zinc/10/88/00/432108800.db2.gz FNOVSAJXJAGUPG-GOEBONIOSA-N 2 2 319.836 3.498 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451958785 241283425 /nfs/dbraw/zinc/28/34/25/241283425.db2.gz MBLNXCXUMBTLQB-UHFFFAOYSA-N 2 2 319.399 3.424 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451971232 241288852 /nfs/dbraw/zinc/28/88/52/241288852.db2.gz ZOXQXKJQQOJEJS-UHFFFAOYSA-N 2 2 319.399 3.424 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000455475051 242209906 /nfs/dbraw/zinc/20/99/06/242209906.db2.gz KNLZLCVVEGDTJZ-INIZCTEOSA-N 2 2 316.449 3.099 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000455498126 242218775 /nfs/dbraw/zinc/21/87/75/242218775.db2.gz RAZQAJFJJRIWIZ-HNNXBMFYSA-N 2 2 318.465 3.201 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCCCC[NH+]2CCCC2)c(C)[nH+]1 ZINC000455515244 242223456 /nfs/dbraw/zinc/22/34/56/242223456.db2.gz JZYSDCAPSGVFJU-UHFFFAOYSA-N 2 2 318.465 3.394 20 0 DGADLP CCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246282641 432114333 /nfs/dbraw/zinc/11/43/33/432114333.db2.gz BQDANKIBOPAXPH-SJLPKXTDSA-N 2 2 301.478 3.462 20 0 DGADLP CCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246282641 432114337 /nfs/dbraw/zinc/11/43/37/432114337.db2.gz BQDANKIBOPAXPH-SJLPKXTDSA-N 2 2 301.478 3.462 20 0 DGADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000261695419 203096152 /nfs/dbraw/zinc/09/61/52/203096152.db2.gz CGCMRCXJKSRGDA-CQSZACIVSA-N 2 2 311.385 3.202 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468428722 244039881 /nfs/dbraw/zinc/03/98/81/244039881.db2.gz SFCZOKFWBVEZHX-WDSOQIARSA-N 2 2 304.478 3.038 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468428722 244039884 /nfs/dbraw/zinc/03/98/84/244039884.db2.gz SFCZOKFWBVEZHX-WDSOQIARSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468510686 244048682 /nfs/dbraw/zinc/04/86/82/244048682.db2.gz HKBRYQGOGIAHSG-LFGUQSLTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468510686 244048690 /nfs/dbraw/zinc/04/86/90/244048690.db2.gz HKBRYQGOGIAHSG-LFGUQSLTSA-N 2 2 316.489 3.302 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469854351 244129969 /nfs/dbraw/zinc/12/99/69/244129969.db2.gz SABXNHVLTHSWDC-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469854351 244129976 /nfs/dbraw/zinc/12/99/76/244129976.db2.gz SABXNHVLTHSWDC-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000469866027 244130608 /nfs/dbraw/zinc/13/06/08/244130608.db2.gz LOULBSGFZVXLDD-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000469866027 244130611 /nfs/dbraw/zinc/13/06/11/244130611.db2.gz LOULBSGFZVXLDD-ZJUUUORDSA-N 2 2 303.233 3.171 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882941 296135561 /nfs/dbraw/zinc/13/55/61/296135561.db2.gz PPTOKNPDUBRFJK-SQGPQFPESA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882941 296135562 /nfs/dbraw/zinc/13/55/62/296135562.db2.gz PPTOKNPDUBRFJK-SQGPQFPESA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000470364961 244168803 /nfs/dbraw/zinc/16/88/03/244168803.db2.gz XGOMPCKHJBCWIH-XJKSGUPXSA-N 2 2 312.910 3.470 20 0 DGADLP CCN(C(=O)[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1)C1CCCCC1 ZINC000118986782 284131536 /nfs/dbraw/zinc/13/15/36/284131536.db2.gz GOFQFSQXGFMCIH-INIZCTEOSA-N 2 2 323.525 3.019 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000474077410 244367376 /nfs/dbraw/zinc/36/73/76/244367376.db2.gz BTXQJQPFXBIEKI-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000474077410 244367381 /nfs/dbraw/zinc/36/73/81/244367381.db2.gz BTXQJQPFXBIEKI-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000474077409 244367505 /nfs/dbraw/zinc/36/75/05/244367505.db2.gz BTXQJQPFXBIEKI-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000474077409 244367507 /nfs/dbraw/zinc/36/75/07/244367507.db2.gz BTXQJQPFXBIEKI-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000119621144 284147193 /nfs/dbraw/zinc/14/71/93/284147193.db2.gz KBEKUMVBPWSKLD-GOSISDBHSA-N 2 2 324.428 3.176 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)n1-c1ccccc1 ZINC000093506218 193262048 /nfs/dbraw/zinc/26/20/48/193262048.db2.gz VOTQRNMCYJWTKS-VQIMIIECSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)n1-c1ccccc1 ZINC000093506218 193262049 /nfs/dbraw/zinc/26/20/49/193262049.db2.gz VOTQRNMCYJWTKS-VQIMIIECSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cccn2c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc12 ZINC000093563966 193268166 /nfs/dbraw/zinc/26/81/66/193268166.db2.gz CPLBFQVATCUNFA-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc12 ZINC000093563966 193268167 /nfs/dbraw/zinc/26/81/67/193268167.db2.gz CPLBFQVATCUNFA-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2c(CN3CCC[C@H]([NH+]4CCCC4)CC3)c[nH+]c12 ZINC000093563966 193268168 /nfs/dbraw/zinc/26/81/68/193268168.db2.gz CPLBFQVATCUNFA-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693811 193290807 /nfs/dbraw/zinc/29/08/07/193290807.db2.gz QTVUVPVVJOTVAC-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1OC ZINC000093693811 193290809 /nfs/dbraw/zinc/29/08/09/193290809.db2.gz QTVUVPVVJOTVAC-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000093659871 193284257 /nfs/dbraw/zinc/28/42/57/193284257.db2.gz DYJFARIETGGVCJ-OAHLLOKOSA-N 2 2 324.538 3.296 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000093659871 193284258 /nfs/dbraw/zinc/28/42/58/193284258.db2.gz DYJFARIETGGVCJ-OAHLLOKOSA-N 2 2 324.538 3.296 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000093659871 193284260 /nfs/dbraw/zinc/28/42/60/193284260.db2.gz DYJFARIETGGVCJ-OAHLLOKOSA-N 2 2 324.538 3.296 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000093659871 193284261 /nfs/dbraw/zinc/28/42/61/193284261.db2.gz DYJFARIETGGVCJ-OAHLLOKOSA-N 2 2 324.538 3.296 20 0 DGADLP CC[N@@H+](Cc1cncs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818731 193313798 /nfs/dbraw/zinc/31/37/98/193313798.db2.gz CEVGVMCVMOYADI-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[N@H+](Cc1cncs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818731 193313800 /nfs/dbraw/zinc/31/38/00/193313800.db2.gz CEVGVMCVMOYADI-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1cncs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818731 193313802 /nfs/dbraw/zinc/31/38/02/193313802.db2.gz CEVGVMCVMOYADI-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1cncs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818731 193313804 /nfs/dbraw/zinc/31/38/04/193313804.db2.gz CEVGVMCVMOYADI-QGZVFWFLSA-N 2 2 315.486 3.487 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)C[C@@H]3CC[NH+](C)C3)s2)o1 ZINC000120910333 284181468 /nfs/dbraw/zinc/18/14/68/284181468.db2.gz VLPXBJZRJRROML-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C[C@@H]3CC[NH+](C)C3)s2)o1 ZINC000120910333 284181471 /nfs/dbraw/zinc/18/14/71/284181471.db2.gz VLPXBJZRJRROML-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@@H]3CC[N@H+](C)C3)s2)o1 ZINC000120910333 284181472 /nfs/dbraw/zinc/18/14/72/284181472.db2.gz VLPXBJZRJRROML-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+](C)C[C@@H]3CC[N@@H+](C)C3)s2)o1 ZINC000120910333 284181473 /nfs/dbraw/zinc/18/14/73/284181473.db2.gz VLPXBJZRJRROML-CYBMUJFWSA-N 2 2 305.447 3.095 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487579447 245077600 /nfs/dbraw/zinc/07/76/00/245077600.db2.gz WERAGMSQPCNEIZ-REAYAIGQSA-N 2 2 307.441 3.205 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487579447 245077603 /nfs/dbraw/zinc/07/76/03/245077603.db2.gz WERAGMSQPCNEIZ-REAYAIGQSA-N 2 2 307.441 3.205 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354526 245179681 /nfs/dbraw/zinc/17/96/81/245179681.db2.gz QMCQYAGUDUMHKJ-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354526 245179685 /nfs/dbraw/zinc/17/96/85/245179685.db2.gz QMCQYAGUDUMHKJ-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354526 245179690 /nfs/dbraw/zinc/17/96/90/245179690.db2.gz QMCQYAGUDUMHKJ-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488354526 245179693 /nfs/dbraw/zinc/17/96/93/245179693.db2.gz QMCQYAGUDUMHKJ-OAHLLOKOSA-N 2 2 315.436 3.471 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488454687 245195855 /nfs/dbraw/zinc/19/58/55/245195855.db2.gz DQJIGOUPXZVWNW-RDJZCZTQSA-N 2 2 301.459 3.492 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000488457649 245197642 /nfs/dbraw/zinc/19/76/42/245197642.db2.gz LYIZRIJHDAPYSP-XYJFISCASA-N 2 2 302.462 3.132 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489934347 245363482 /nfs/dbraw/zinc/36/34/82/245363482.db2.gz MEHNHEQTMIKQBQ-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489934347 245363485 /nfs/dbraw/zinc/36/34/85/245363485.db2.gz MEHNHEQTMIKQBQ-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000282482536 217029233 /nfs/dbraw/zinc/02/92/33/217029233.db2.gz WZNBNJUDRMCNBH-GDBMZVCRSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000282482536 217029235 /nfs/dbraw/zinc/02/92/35/217029235.db2.gz WZNBNJUDRMCNBH-GDBMZVCRSA-N 2 2 309.457 3.242 20 0 DGADLP FC(F)(F)c1nn(CCC[NH+]2CCCCC2)c2cc[nH+]cc21 ZINC000288399215 220134641 /nfs/dbraw/zinc/13/46/41/220134641.db2.gz BHSCPDYHVJYGJX-UHFFFAOYSA-N 2 2 312.339 3.326 20 0 DGADLP Clc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268754069 432129449 /nfs/dbraw/zinc/12/94/49/432129449.db2.gz KWDCCDBIZUHLRE-MRXNPFEDSA-N 2 2 306.837 3.380 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000288547655 220226322 /nfs/dbraw/zinc/22/63/22/220226322.db2.gz XISQNLCYDNHCJB-APWZRJJASA-N 2 2 312.461 3.217 20 0 DGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000288547655 220226325 /nfs/dbraw/zinc/22/63/25/220226325.db2.gz XISQNLCYDNHCJB-APWZRJJASA-N 2 2 312.461 3.217 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000494012983 246105958 /nfs/dbraw/zinc/10/59/58/246105958.db2.gz WFXHCMKMOYKJJO-SFHVURJKSA-N 2 2 324.468 3.476 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268788064 432134222 /nfs/dbraw/zinc/13/42/22/432134222.db2.gz CEUXGOZVGNUQGV-HUUCEWRRSA-N 3 2 309.417 3.117 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1csc(-c3ccsc3)n1)CC2 ZINC000494462396 246151451 /nfs/dbraw/zinc/15/14/51/246151451.db2.gz AWKSYBRCZPQEBV-LBPRGKRZSA-N 2 2 316.455 3.173 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2[nH+]1 ZINC000494641992 246173923 /nfs/dbraw/zinc/17/39/23/246173923.db2.gz IARATUBXZATWDE-CYBMUJFWSA-N 2 2 314.433 3.376 20 0 DGADLP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000494876972 246205254 /nfs/dbraw/zinc/20/52/54/246205254.db2.gz GDQSKPRTLAMTTK-MAUKXSAKSA-N 2 2 317.408 3.170 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1SC ZINC000268795619 432137440 /nfs/dbraw/zinc/13/74/40/432137440.db2.gz FSHXADGBNZFUIS-STQMWFEESA-N 2 2 305.447 3.353 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268813317 432139916 /nfs/dbraw/zinc/13/99/16/432139916.db2.gz JRSZHHHBUINPCH-CSMYWGQOSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268813317 432139920 /nfs/dbraw/zinc/13/99/20/432139920.db2.gz JRSZHHHBUINPCH-CSMYWGQOSA-N 2 2 304.409 3.112 20 0 DGADLP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268810077 432139526 /nfs/dbraw/zinc/13/95/26/432139526.db2.gz DQQOZOFILFOAHW-SFHVURJKSA-N 2 2 324.896 3.301 20 0 DGADLP Cc1oncc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000181736922 432142732 /nfs/dbraw/zinc/14/27/32/432142732.db2.gz YZESTRLECLHSGL-BEFAXECRSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000181736922 432142735 /nfs/dbraw/zinc/14/27/35/432142735.db2.gz YZESTRLECLHSGL-BEFAXECRSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000181736922 432142740 /nfs/dbraw/zinc/14/27/40/432142740.db2.gz YZESTRLECLHSGL-BEFAXECRSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1oncc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000181736922 432142745 /nfs/dbraw/zinc/14/27/45/432142745.db2.gz YZESTRLECLHSGL-BEFAXECRSA-N 2 2 313.445 3.468 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2ccccc2)o1 ZINC000268826616 432143202 /nfs/dbraw/zinc/14/32/02/432143202.db2.gz JCVBSBRMVVAMPU-NVXWUHKLSA-N 2 2 314.429 3.054 20 0 DGADLP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246575680 432145458 /nfs/dbraw/zinc/14/54/58/432145458.db2.gz YGKWIGBQVCVRKY-SJLPKXTDSA-N 2 2 301.478 3.318 20 0 DGADLP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246575680 432145463 /nfs/dbraw/zinc/14/54/63/432145463.db2.gz YGKWIGBQVCVRKY-SJLPKXTDSA-N 2 2 301.478 3.318 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246596033 432147829 /nfs/dbraw/zinc/14/78/29/432147829.db2.gz GBSJBCGYMRFYOD-YJBOKZPZSA-N 2 2 322.880 3.445 20 0 DGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246596033 432147831 /nfs/dbraw/zinc/14/78/31/432147831.db2.gz GBSJBCGYMRFYOD-YJBOKZPZSA-N 2 2 322.880 3.445 20 0 DGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000041064060 183160833 /nfs/dbraw/zinc/16/08/33/183160833.db2.gz MWQFHTMEZORQBT-CQSZACIVSA-N 2 2 308.223 3.387 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1Br ZINC000042427248 183269166 /nfs/dbraw/zinc/26/91/66/183269166.db2.gz LSUSVSVYVXAQSI-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1Br ZINC000042427248 183269168 /nfs/dbraw/zinc/26/91/68/183269168.db2.gz LSUSVSVYVXAQSI-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1F ZINC000042427457 183269477 /nfs/dbraw/zinc/26/94/77/183269477.db2.gz RDEUGSUZAZSJQR-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1F ZINC000042427457 183269481 /nfs/dbraw/zinc/26/94/81/183269481.db2.gz RDEUGSUZAZSJQR-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)noc1-c1ccccc1 ZINC000284827726 218195583 /nfs/dbraw/zinc/19/55/83/218195583.db2.gz AZNHZCAKAIHLOI-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)noc1-c1ccccc1 ZINC000284827726 218195585 /nfs/dbraw/zinc/19/55/85/218195585.db2.gz AZNHZCAKAIHLOI-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP CC1(C)Cc2cc(C[NH2+]CCc3cn4ccccc4[nH+]3)ccc2O1 ZINC000105417591 194103582 /nfs/dbraw/zinc/10/35/82/194103582.db2.gz OBUBOGPGMUYZQI-UHFFFAOYSA-N 2 2 321.424 3.380 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)[nH]1 ZINC000284836389 218200268 /nfs/dbraw/zinc/20/02/68/218200268.db2.gz BSZJJXWLERSBKB-UHFFFAOYSA-N 2 2 308.385 3.444 20 0 DGADLP COc1ccccc1[C@H](CNc1cc[nH+]c(C2CC2)n1)[NH+](C)C ZINC000110113877 194311331 /nfs/dbraw/zinc/31/13/31/194311331.db2.gz XUQJGKXHZWWHQQ-HNNXBMFYSA-N 2 2 312.417 3.077 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)[NH+](C)C)cc1 ZINC000245905365 284852659 /nfs/dbraw/zinc/85/26/59/284852659.db2.gz OKJKYCQKQLAFFP-HCXYKTFWSA-N 2 2 316.489 3.391 20 0 DGADLP CC(C)[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[NH+](C)C ZINC000110677219 194349468 /nfs/dbraw/zinc/34/94/68/194349468.db2.gz UQFJVCPQYZHZHG-MRXNPFEDSA-N 2 2 314.433 3.355 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000268878701 207049897 /nfs/dbraw/zinc/04/98/97/207049897.db2.gz XGEKQTKFFONORG-AAEUAGOBSA-N 2 2 317.260 3.101 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000268880088 207051118 /nfs/dbraw/zinc/05/11/18/207051118.db2.gz AVGVVCMBSRNYTH-PBHICJAKSA-N 2 2 308.491 3.173 20 0 DGADLP C[C@H](CCCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269010292 207162107 /nfs/dbraw/zinc/16/21/07/207162107.db2.gz MJXNIIGRNKVJBW-CQSZACIVSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@@H](CCCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269010290 207162502 /nfs/dbraw/zinc/16/25/02/207162502.db2.gz MJXNIIGRNKVJBW-AWEZNQCLSA-N 2 2 310.869 3.055 20 0 DGADLP c1ccc([C@@H](C[NH2+]Cc2cccc3c2OCO3)[NH+]2CCCC2)cc1 ZINC000060856784 184156985 /nfs/dbraw/zinc/15/69/85/184156985.db2.gz KTKHIWZLYUDSQP-GOSISDBHSA-N 2 2 324.424 3.342 20 0 DGADLP c1coc(-c2nc(C[NH2+]C3CC[NH+](C4CC4)CC3)cs2)c1 ZINC000063509884 184284068 /nfs/dbraw/zinc/28/40/68/184284068.db2.gz CQASGLLFFNFMLC-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)C[NH+]1CCOCC1 ZINC000248660031 285015803 /nfs/dbraw/zinc/01/58/03/285015803.db2.gz ZBJFKLIDBZYIKO-NEWSRXKRSA-N 2 2 316.489 3.127 20 0 DGADLP COCc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000269618538 207686509 /nfs/dbraw/zinc/68/65/09/207686509.db2.gz DGPUJKOFEQBZOB-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCOC1 ZINC000119629015 195004736 /nfs/dbraw/zinc/00/47/36/195004736.db2.gz BVRPUIFVYQOCFK-GDBMZVCRSA-N 2 2 322.880 3.319 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119616545 195003230 /nfs/dbraw/zinc/00/32/30/195003230.db2.gz CEMYHXZYICWPDI-CQSZACIVSA-N 2 2 314.364 3.136 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119616545 195003232 /nfs/dbraw/zinc/00/32/32/195003232.db2.gz CEMYHXZYICWPDI-CQSZACIVSA-N 2 2 314.364 3.136 20 0 DGADLP Cc1cc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000119651208 195009599 /nfs/dbraw/zinc/00/95/99/195009599.db2.gz KWLXTLBSCANDAD-ZDUSSCGKSA-N 2 2 304.438 3.022 20 0 DGADLP Cc1cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000119651208 195009602 /nfs/dbraw/zinc/00/96/02/195009602.db2.gz KWLXTLBSCANDAD-ZDUSSCGKSA-N 2 2 304.438 3.022 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C(C)C)C3CCC3)c2cc1C ZINC000119788136 195036748 /nfs/dbraw/zinc/03/67/48/195036748.db2.gz ZOLGHJUYVSVMFK-QGZVFWFLSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C(C)C)C3CCC3)c2cc1C ZINC000119788136 195036750 /nfs/dbraw/zinc/03/67/50/195036750.db2.gz ZOLGHJUYVSVMFK-QGZVFWFLSA-N 2 2 315.461 3.277 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000119858390 195049411 /nfs/dbraw/zinc/04/94/11/195049411.db2.gz WAIIWXKLHKAOPF-UHFFFAOYSA-N 2 2 312.461 3.225 20 0 DGADLP COC1(C[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000429512760 533010952 /nfs/dbraw/zinc/01/09/52/533010952.db2.gz BUEUFIWQCNVABP-MRXNPFEDSA-N 2 2 313.445 3.369 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCSc3ccccc32)C[C@@H](C)O1 ZINC000119887074 195055234 /nfs/dbraw/zinc/05/52/34/195055234.db2.gz YVJJHAJNTVOAJB-BFYDXBDKSA-N 2 2 320.502 3.312 20 0 DGADLP Cc1[nH+]cc(CNc2ccc(N(C)C)[nH+]c2)n1-c1ccccc1 ZINC000336867332 253014204 /nfs/dbraw/zinc/01/42/04/253014204.db2.gz MGEJJFNVAWDLDV-UHFFFAOYSA-N 2 2 307.401 3.254 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000270109706 208166781 /nfs/dbraw/zinc/16/67/81/208166781.db2.gz CZJMHLWXMZHVOU-SFHVURJKSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1ccccn1 ZINC000270109706 208166785 /nfs/dbraw/zinc/16/67/85/208166785.db2.gz CZJMHLWXMZHVOU-SFHVURJKSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(C)(C)CC3)c2cc1C ZINC000336870987 253014917 /nfs/dbraw/zinc/01/49/17/253014917.db2.gz KYZUCVNBCKIUJY-INIZCTEOSA-N 2 2 315.461 3.136 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000337048679 253040470 /nfs/dbraw/zinc/04/04/70/253040470.db2.gz HWHMJFRDTHJOIE-LEWJYISDSA-N 2 2 324.468 3.063 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000337048679 253040473 /nfs/dbraw/zinc/04/04/73/253040473.db2.gz HWHMJFRDTHJOIE-LEWJYISDSA-N 2 2 324.468 3.063 20 0 DGADLP [NH3+][C@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000337050499 253040791 /nfs/dbraw/zinc/04/07/91/253040791.db2.gz JEQHDKIHBQTGFT-PMACEKPBSA-N 2 2 310.441 3.272 20 0 DGADLP [NH3+][C@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1c1ccccc1 ZINC000337050499 253040792 /nfs/dbraw/zinc/04/07/92/253040792.db2.gz JEQHDKIHBQTGFT-PMACEKPBSA-N 2 2 310.441 3.272 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1C ZINC000337221495 253064564 /nfs/dbraw/zinc/06/45/64/253064564.db2.gz DZZMBEODCKPDFT-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1C ZINC000337221495 253064565 /nfs/dbraw/zinc/06/45/65/253064565.db2.gz DZZMBEODCKPDFT-KRWDZBQOSA-N 2 2 317.477 3.048 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000337410949 253110097 /nfs/dbraw/zinc/11/00/97/253110097.db2.gz WVPADCFJRHPSKA-LSDHHAIUSA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000337410949 253110099 /nfs/dbraw/zinc/11/00/99/253110099.db2.gz WVPADCFJRHPSKA-LSDHHAIUSA-N 2 2 320.477 3.016 20 0 DGADLP CCc1cc(OC)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000337537866 253135555 /nfs/dbraw/zinc/13/55/55/253135555.db2.gz HJNRJGXAXNRNKF-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337501752 253128423 /nfs/dbraw/zinc/12/84/23/253128423.db2.gz BSGLGTXZWVTIJW-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337501752 253128424 /nfs/dbraw/zinc/12/84/24/253128424.db2.gz BSGLGTXZWVTIJW-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337507227 253129307 /nfs/dbraw/zinc/12/93/07/253129307.db2.gz GEGIMEGTTYWJDU-RTBURBONSA-N 2 2 313.445 3.226 20 0 DGADLP OC[C@@H](CC1CCCC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000338006041 253208493 /nfs/dbraw/zinc/20/84/93/253208493.db2.gz BUOPHAMMGYXIGI-VQTJNVASSA-N 2 2 316.489 3.182 20 0 DGADLP OC[C@@H](CC1CCCC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000338006041 253208494 /nfs/dbraw/zinc/20/84/94/253208494.db2.gz BUOPHAMMGYXIGI-VQTJNVASSA-N 2 2 316.489 3.182 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000442765743 533061438 /nfs/dbraw/zinc/06/14/38/533061438.db2.gz JRGKFIWMKQEVIL-HOTGVXAUSA-N 2 2 322.518 3.152 20 0 DGADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000159288003 197343456 /nfs/dbraw/zinc/34/34/56/197343456.db2.gz QIFHMXRLYQVAHH-GFCCVEGCSA-N 2 2 308.223 3.132 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000159088561 197325943 /nfs/dbraw/zinc/32/59/43/197325943.db2.gz FFCHKDDEQOXFLK-ZDUSSCGKSA-N 2 2 312.404 3.116 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566462 253311965 /nfs/dbraw/zinc/31/19/65/253311965.db2.gz IUJFNUVCKSMKSX-SJLPKXTDSA-N 2 2 313.445 3.062 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000338566462 253311967 /nfs/dbraw/zinc/31/19/67/253311967.db2.gz IUJFNUVCKSMKSX-SJLPKXTDSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1cnn(CCCCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000159022019 197319971 /nfs/dbraw/zinc/31/99/71/197319971.db2.gz HKYXFLJCXTWBRH-QZTJIDSGSA-N 2 2 315.465 3.141 20 0 DGADLP Cc1cnn(CCCCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000159022019 197319973 /nfs/dbraw/zinc/31/99/73/197319973.db2.gz HKYXFLJCXTWBRH-QZTJIDSGSA-N 2 2 315.465 3.141 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000338963603 253380682 /nfs/dbraw/zinc/38/06/82/253380682.db2.gz FBPFUISXZSSLKC-GDBMZVCRSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000338963603 253380683 /nfs/dbraw/zinc/38/06/83/253380683.db2.gz FBPFUISXZSSLKC-GDBMZVCRSA-N 2 2 312.404 3.116 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000340357472 253608880 /nfs/dbraw/zinc/60/88/80/253608880.db2.gz XXBGDNPXXSIFTM-WBVHZDCISA-N 2 2 315.848 3.462 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120281198 195134247 /nfs/dbraw/zinc/13/42/47/195134247.db2.gz FGIKBRQTMHEYPO-QAPCUYQASA-N 2 2 324.428 3.419 20 0 DGADLP CC1CCC([NH+]2CCN(Cc3cccc4[nH+]ccn43)CC2)CC1 ZINC000342944871 254078598 /nfs/dbraw/zinc/07/85/98/254078598.db2.gz VDSPRSDFZOMADY-UHFFFAOYSA-N 2 2 312.461 3.031 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1cccs1 ZINC000342802477 254054252 /nfs/dbraw/zinc/05/42/52/254054252.db2.gz MXBWMZQJYWWPMF-HNNXBMFYSA-N 2 2 324.490 3.206 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076988 254095507 /nfs/dbraw/zinc/09/55/07/254095507.db2.gz YOBBQAIQJZUKGK-FXAWDEMLSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076988 254095510 /nfs/dbraw/zinc/09/55/10/254095510.db2.gz YOBBQAIQJZUKGK-FXAWDEMLSA-N 3 2 315.505 3.102 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000157528893 197194753 /nfs/dbraw/zinc/19/47/53/197194753.db2.gz XFJVKGXDDHCAFS-IEBWSBKVSA-N 2 2 312.461 3.088 20 0 DGADLP Cc1[nH+]c2ccccc2c(NCc2ccc(N(C)C)[nH+]c2)c1C ZINC000343477393 254149644 /nfs/dbraw/zinc/14/96/44/254149644.db2.gz OJWFRFWKFRANQV-UHFFFAOYSA-N 2 2 306.413 3.347 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000294657141 224147319 /nfs/dbraw/zinc/14/73/19/224147319.db2.gz ADXMHSQNUCQIAA-CHWSQXEVSA-N 2 2 305.809 3.183 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000343601569 254166355 /nfs/dbraw/zinc/16/63/55/254166355.db2.gz GWVSKRJUMPWXAW-MRXNPFEDSA-N 2 2 320.433 3.047 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000343601569 254166356 /nfs/dbraw/zinc/16/63/56/254166356.db2.gz GWVSKRJUMPWXAW-MRXNPFEDSA-N 2 2 320.433 3.047 20 0 DGADLP C[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1Cc1ccccc1 ZINC000343700862 254179123 /nfs/dbraw/zinc/17/91/23/254179123.db2.gz FIKQPGLIRMQCMU-OAHLLOKOSA-N 2 2 301.821 3.098 20 0 DGADLP C[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1Cc1ccccc1 ZINC000343700862 254179124 /nfs/dbraw/zinc/17/91/24/254179124.db2.gz FIKQPGLIRMQCMU-OAHLLOKOSA-N 2 2 301.821 3.098 20 0 DGADLP CCCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000343973527 254208265 /nfs/dbraw/zinc/20/82/65/254208265.db2.gz HPFUBQJNZCVHKA-PKOBYXMFSA-N 2 2 304.478 3.476 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344069364 254220419 /nfs/dbraw/zinc/22/04/19/254220419.db2.gz BSEZVHNOMDHRDL-MJGOQNOKSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344069364 254220421 /nfs/dbraw/zinc/22/04/21/254220421.db2.gz BSEZVHNOMDHRDL-MJGOQNOKSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344069365 254220507 /nfs/dbraw/zinc/22/05/07/254220507.db2.gz BSEZVHNOMDHRDL-PKOBYXMFSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344069365 254220508 /nfs/dbraw/zinc/22/05/08/254220508.db2.gz BSEZVHNOMDHRDL-PKOBYXMFSA-N 2 2 320.452 3.150 20 0 DGADLP COc1ccc(Oc2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)cc1 ZINC000344118656 254228154 /nfs/dbraw/zinc/22/81/54/254228154.db2.gz CDBRKHXPQJTIHN-UHFFFAOYSA-N 2 2 323.396 3.474 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)[C@@H](C)C1 ZINC000344280402 254250119 /nfs/dbraw/zinc/25/01/19/254250119.db2.gz WIEVFUYGDMSZHK-YJBOKZPZSA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CC2(c3ccc(OC)cc3)CCC2)[C@@H](C)C1 ZINC000344280402 254250121 /nfs/dbraw/zinc/25/01/21/254250121.db2.gz WIEVFUYGDMSZHK-YJBOKZPZSA-N 2 2 302.462 3.047 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000344621172 254289628 /nfs/dbraw/zinc/28/96/28/254289628.db2.gz YBUCVKBDFLVLMG-RNIPGJKVSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000344621172 254289629 /nfs/dbraw/zinc/28/96/29/254289629.db2.gz YBUCVKBDFLVLMG-RNIPGJKVSA-N 2 2 304.478 3.209 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)ccc1Br ZINC000344320499 254256233 /nfs/dbraw/zinc/25/62/33/254256233.db2.gz CPNJUZOFIDWNJV-WFASDCNBSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)ccc1Br ZINC000344320499 254256234 /nfs/dbraw/zinc/25/62/34/254256234.db2.gz CPNJUZOFIDWNJV-WFASDCNBSA-N 2 2 311.267 3.330 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344332273 254257933 /nfs/dbraw/zinc/25/79/33/254257933.db2.gz YTIKWFSTMGGMFM-WFASDCNBSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC[N@H+]1C ZINC000344332273 254257935 /nfs/dbraw/zinc/25/79/35/254257935.db2.gz YTIKWFSTMGGMFM-WFASDCNBSA-N 2 2 316.367 3.200 20 0 DGADLP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157086659 197160685 /nfs/dbraw/zinc/16/06/85/197160685.db2.gz CZHLITPHBVRPDN-INIZCTEOSA-N 2 2 312.461 3.024 20 0 DGADLP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157086659 197160687 /nfs/dbraw/zinc/16/06/87/197160687.db2.gz CZHLITPHBVRPDN-INIZCTEOSA-N 2 2 312.461 3.024 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000344374575 254263820 /nfs/dbraw/zinc/26/38/20/254263820.db2.gz KWRXAROFPHPGBM-ZFWWWQNUSA-N 2 2 314.857 3.160 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000344374575 254263822 /nfs/dbraw/zinc/26/38/22/254263822.db2.gz KWRXAROFPHPGBM-ZFWWWQNUSA-N 2 2 314.857 3.160 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3ncccc3c1)CCC2 ZINC000344544665 254281428 /nfs/dbraw/zinc/28/14/28/254281428.db2.gz RTEHWEHQYUSWNU-QGZVFWFLSA-N 2 2 306.413 3.407 20 0 DGADLP CCCOc1c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1OCC ZINC000344686452 254295814 /nfs/dbraw/zinc/29/58/14/254295814.db2.gz RVFBUZGSYFDCHD-RDJZCZTQSA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1OCC ZINC000344686452 254295816 /nfs/dbraw/zinc/29/58/16/254295816.db2.gz RVFBUZGSYFDCHD-RDJZCZTQSA-N 2 2 320.477 3.446 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000344784005 254305570 /nfs/dbraw/zinc/30/55/70/254305570.db2.gz YJAHGGIGKLTBAU-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344784005 254305571 /nfs/dbraw/zinc/30/55/71/254305571.db2.gz YJAHGGIGKLTBAU-QRQLOZEOSA-N 2 2 302.462 3.056 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297295 254350819 /nfs/dbraw/zinc/35/08/19/254350819.db2.gz UCNKVDNZDVGMTK-QZTJIDSGSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345297295 254350821 /nfs/dbraw/zinc/35/08/21/254350821.db2.gz UCNKVDNZDVGMTK-QZTJIDSGSA-N 2 2 321.896 3.017 20 0 DGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345736978 254393148 /nfs/dbraw/zinc/39/31/48/254393148.db2.gz KYRCEXPXDHQUAZ-UHFFFAOYSA-N 2 2 322.412 3.262 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345767052 254395270 /nfs/dbraw/zinc/39/52/70/254395270.db2.gz GSZBLWFMDCNDLC-OLZOCXBDSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000345767052 254395272 /nfs/dbraw/zinc/39/52/72/254395272.db2.gz GSZBLWFMDCNDLC-OLZOCXBDSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345767052 254395273 /nfs/dbraw/zinc/39/52/73/254395273.db2.gz GSZBLWFMDCNDLC-OLZOCXBDSA-N 2 2 320.462 3.133 20 0 DGADLP COc1cccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000272174421 285208958 /nfs/dbraw/zinc/20/89/58/285208958.db2.gz DRENJETXCCWAEP-UHFFFAOYSA-N 2 2 323.440 3.338 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+]1CCCCCC1 ZINC000155495741 197060318 /nfs/dbraw/zinc/06/03/18/197060318.db2.gz LCBCRJWGVNZEDJ-CQSZACIVSA-N 2 2 312.417 3.280 20 0 DGADLP C[C@@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[NH2+]C1 ZINC000120350587 195150201 /nfs/dbraw/zinc/15/02/01/195150201.db2.gz CRXHKARBXKQJGA-GOSISDBHSA-N 2 2 311.385 3.202 20 0 DGADLP COc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1OC ZINC000155216605 197033028 /nfs/dbraw/zinc/03/30/28/197033028.db2.gz MTVGPZFXDXWJFS-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1OC ZINC000155216605 197033030 /nfs/dbraw/zinc/03/30/30/197033030.db2.gz MTVGPZFXDXWJFS-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1OC ZINC000155216605 197033031 /nfs/dbraw/zinc/03/30/31/197033031.db2.gz MTVGPZFXDXWJFS-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP COc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1OC ZINC000155216605 197033032 /nfs/dbraw/zinc/03/30/32/197033032.db2.gz MTVGPZFXDXWJFS-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000155163578 197027898 /nfs/dbraw/zinc/02/78/98/197027898.db2.gz OSBRLCVHIIWOLW-GOSISDBHSA-N 2 2 308.441 3.055 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000155163578 197027899 /nfs/dbraw/zinc/02/78/99/197027899.db2.gz OSBRLCVHIIWOLW-GOSISDBHSA-N 2 2 308.441 3.055 20 0 DGADLP COCC1CCC([NH2+]c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000294803920 224232350 /nfs/dbraw/zinc/23/23/50/224232350.db2.gz LOBCYRWSRBDICS-UHFFFAOYSA-N 2 2 306.450 3.244 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000120553824 195188811 /nfs/dbraw/zinc/18/88/11/195188811.db2.gz LMXQWEJYCLUKAQ-OAHLLOKOSA-N 2 2 318.465 3.412 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000120553824 195188813 /nfs/dbraw/zinc/18/88/13/195188813.db2.gz LMXQWEJYCLUKAQ-OAHLLOKOSA-N 2 2 318.465 3.412 20 0 DGADLP COc1ccc2[nH+]c(C)nc(N[C@H]3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC000301940725 285275367 /nfs/dbraw/zinc/27/53/67/285275367.db2.gz VZPABBMFJMLZJR-KBPBESRZSA-N 2 2 314.433 3.232 20 0 DGADLP COC(=O)C1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000428273684 533215565 /nfs/dbraw/zinc/21/55/65/533215565.db2.gz OETNTKAOZFLZHS-UHFFFAOYSA-N 2 2 304.434 3.036 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000271562972 209015815 /nfs/dbraw/zinc/01/58/15/209015815.db2.gz XFXDXIDHSWTFOO-SFHVURJKSA-N 2 2 310.445 3.041 20 0 DGADLP C[NH+](CCC[N@@H+](C)CC[C@H](O)c1ccccc1)Cc1ccco1 ZINC000289571891 221076249 /nfs/dbraw/zinc/07/62/49/221076249.db2.gz YMVOXKUTBJTIBL-IBGZPJMESA-N 2 2 316.445 3.157 20 0 DGADLP C[NH+](CCC[N@H+](C)CC[C@H](O)c1ccccc1)Cc1ccco1 ZINC000289571891 221076250 /nfs/dbraw/zinc/07/62/50/221076250.db2.gz YMVOXKUTBJTIBL-IBGZPJMESA-N 2 2 316.445 3.157 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC[C@H](O)c1ccccc1 ZINC000289571891 221076254 /nfs/dbraw/zinc/07/62/54/221076254.db2.gz YMVOXKUTBJTIBL-IBGZPJMESA-N 2 2 316.445 3.157 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC[C@H](O)c1ccccc1 ZINC000289571891 221076255 /nfs/dbraw/zinc/07/62/55/221076255.db2.gz YMVOXKUTBJTIBL-IBGZPJMESA-N 2 2 316.445 3.157 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616807 221105135 /nfs/dbraw/zinc/10/51/35/221105135.db2.gz URUUMKFPTTUONR-GXFFZTMASA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616807 221105137 /nfs/dbraw/zinc/10/51/37/221105137.db2.gz URUUMKFPTTUONR-GXFFZTMASA-N 2 2 317.260 3.099 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000289693165 221158311 /nfs/dbraw/zinc/15/83/11/221158311.db2.gz NFYXJOLYCCASNU-GOSISDBHSA-N 2 2 318.848 3.473 20 0 DGADLP C=Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289780600 221221012 /nfs/dbraw/zinc/22/10/12/221221012.db2.gz RPEKWPYDPJMSNF-HXUWFJFHSA-N 2 2 322.456 3.082 20 0 DGADLP C=Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289780600 221221015 /nfs/dbraw/zinc/22/10/15/221221015.db2.gz RPEKWPYDPJMSNF-HXUWFJFHSA-N 2 2 322.456 3.082 20 0 DGADLP C=Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289780600 221221016 /nfs/dbraw/zinc/22/10/16/221221016.db2.gz RPEKWPYDPJMSNF-HXUWFJFHSA-N 2 2 322.456 3.082 20 0 DGADLP C=Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289780600 221221020 /nfs/dbraw/zinc/22/10/20/221221020.db2.gz RPEKWPYDPJMSNF-HXUWFJFHSA-N 2 2 322.456 3.082 20 0 DGADLP O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000425530845 285321647 /nfs/dbraw/zinc/32/16/47/285321647.db2.gz BWUDPMZHFCFUNU-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000425530845 285321649 /nfs/dbraw/zinc/32/16/49/285321649.db2.gz BWUDPMZHFCFUNU-QZTJIDSGSA-N 2 2 322.880 3.324 20 0 DGADLP CCn1nccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289947778 221334470 /nfs/dbraw/zinc/33/44/70/221334470.db2.gz YOJRPGIIJUAZLR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1nccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000289947778 221334472 /nfs/dbraw/zinc/33/44/72/221334472.db2.gz YOJRPGIIJUAZLR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1nccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289947778 221334474 /nfs/dbraw/zinc/33/44/74/221334474.db2.gz YOJRPGIIJUAZLR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1nccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000289947778 221334476 /nfs/dbraw/zinc/33/44/76/221334476.db2.gz YOJRPGIIJUAZLR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000289990896 221364748 /nfs/dbraw/zinc/36/47/48/221364748.db2.gz CGYXYFKPLBLXLD-QGZVFWFLSA-N 2 2 300.377 3.055 20 0 DGADLP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc(C(F)(F)F)cs1 ZINC000289976140 221354685 /nfs/dbraw/zinc/35/46/85/221354685.db2.gz JJNIKQBJMLXGSR-JTQLQIEISA-N 2 2 318.368 3.179 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000121945514 195378486 /nfs/dbraw/zinc/37/84/86/195378486.db2.gz BYOITDDJKSFHSY-AWEZNQCLSA-N 2 2 304.438 3.024 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000121945514 195378488 /nfs/dbraw/zinc/37/84/88/195378488.db2.gz BYOITDDJKSFHSY-AWEZNQCLSA-N 2 2 304.438 3.024 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000315661896 533249077 /nfs/dbraw/zinc/24/90/77/533249077.db2.gz OUDITSZMRGGTNC-OTWHNJEPSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000315661896 533249080 /nfs/dbraw/zinc/24/90/80/533249080.db2.gz OUDITSZMRGGTNC-OTWHNJEPSA-N 2 2 300.446 3.289 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCC2)C1)C1([NH+]2CCSCC2)CCCC1 ZINC000449080161 533369667 /nfs/dbraw/zinc/36/96/67/533369667.db2.gz TUKFQRYOTYPXLP-MRXNPFEDSA-N 2 2 324.534 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664455 533421018 /nfs/dbraw/zinc/42/10/18/533421018.db2.gz OIJAAWRCADYUJQ-WBVHZDCISA-N 2 2 313.420 3.393 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664455 533421028 /nfs/dbraw/zinc/42/10/28/533421028.db2.gz OIJAAWRCADYUJQ-WBVHZDCISA-N 2 2 313.420 3.393 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000427872211 533528126 /nfs/dbraw/zinc/52/81/26/533528126.db2.gz JHZOGTJLEWBPEP-BXUZGUMPSA-N 2 2 320.234 3.311 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC000430121415 533485849 /nfs/dbraw/zinc/48/58/49/533485849.db2.gz ISAGDJCATZJAIH-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1OC(C)C ZINC000430121415 533485856 /nfs/dbraw/zinc/48/58/56/533485856.db2.gz ISAGDJCATZJAIH-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1OC(C)C ZINC000430121415 533485869 /nfs/dbraw/zinc/48/58/69/533485869.db2.gz ISAGDJCATZJAIH-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1OC(C)C ZINC000430121415 533485873 /nfs/dbraw/zinc/48/58/73/533485873.db2.gz ISAGDJCATZJAIH-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP C[C@@H](CCCO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000294858099 533559934 /nfs/dbraw/zinc/55/99/34/533559934.db2.gz SSFIDQRIRQILFP-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000356870641 285531249 /nfs/dbraw/zinc/53/12/49/285531249.db2.gz OHPVPGOZAYLKRC-UHFFFAOYSA-N 2 2 310.429 3.136 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000356877145 285535305 /nfs/dbraw/zinc/53/53/05/285535305.db2.gz RZTBCEGCTHZPIJ-AWEZNQCLSA-N 2 2 320.399 3.095 20 0 DGADLP Cc1nc(CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)cs1 ZINC000091075553 400093161 /nfs/dbraw/zinc/09/31/61/400093161.db2.gz YIKVKJHUMFTRBN-UHFFFAOYSA-N 2 2 317.502 3.494 20 0 DGADLP Cc1nc(CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)cs1 ZINC000091075553 400093165 /nfs/dbraw/zinc/09/31/65/400093165.db2.gz YIKVKJHUMFTRBN-UHFFFAOYSA-N 2 2 317.502 3.494 20 0 DGADLP CSCC1(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000595076187 400100893 /nfs/dbraw/zinc/10/08/93/400100893.db2.gz XUMOWUFXLWOUQU-UHFFFAOYSA-N 2 2 319.518 3.169 20 0 DGADLP CCSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595099667 400104808 /nfs/dbraw/zinc/10/48/08/400104808.db2.gz NNKHQBMFZPTWKV-DOTOQJQBSA-N 2 2 319.518 3.167 20 0 DGADLP CCSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595099667 400104811 /nfs/dbraw/zinc/10/48/11/400104811.db2.gz NNKHQBMFZPTWKV-DOTOQJQBSA-N 2 2 319.518 3.167 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cc[nH+]cc1C)CCCO2 ZINC000090847406 400079916 /nfs/dbraw/zinc/07/99/16/400079916.db2.gz GNWKNVQWVOROHW-SFHVURJKSA-N 2 2 312.413 3.445 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cnc2ccccc2n1)C1CCCCC1 ZINC000322135780 400174398 /nfs/dbraw/zinc/17/43/98/400174398.db2.gz VGHDWIREKWQPST-UHFFFAOYSA-N 2 2 312.461 3.374 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cnc2ccccc2n1)C1CCCCC1 ZINC000322135780 400174400 /nfs/dbraw/zinc/17/44/00/400174400.db2.gz VGHDWIREKWQPST-UHFFFAOYSA-N 2 2 312.461 3.374 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000609635755 400183948 /nfs/dbraw/zinc/18/39/48/400183948.db2.gz LXONDMKERYGGNA-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000609635755 400183954 /nfs/dbraw/zinc/18/39/54/400183954.db2.gz LXONDMKERYGGNA-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000609635755 400183959 /nfs/dbraw/zinc/18/39/59/400183959.db2.gz LXONDMKERYGGNA-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000609635755 400183964 /nfs/dbraw/zinc/18/39/64/400183964.db2.gz LXONDMKERYGGNA-OKZBNKHCSA-N 2 2 324.509 3.305 20 0 DGADLP Cc1cc(NCc2ccccc2-n2cc[nH+]c2)nc(C2CC2)[nH+]1 ZINC000091506207 400124936 /nfs/dbraw/zinc/12/49/36/400124936.db2.gz BDPCNUFWEIJKAG-UHFFFAOYSA-N 2 2 305.385 3.460 20 0 DGADLP COc1ccc[nH+]c1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788622 400131596 /nfs/dbraw/zinc/13/15/96/400131596.db2.gz NZUBEIVTURVFQM-RDJZCZTQSA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788622 400131600 /nfs/dbraw/zinc/13/16/00/400131600.db2.gz NZUBEIVTURVFQM-RDJZCZTQSA-N 2 2 311.429 3.413 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071693 400152331 /nfs/dbraw/zinc/15/23/31/400152331.db2.gz COYYKJRPLJHYOL-CYBMUJFWSA-N 2 2 311.389 3.081 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071693 400152334 /nfs/dbraw/zinc/15/23/34/400152334.db2.gz COYYKJRPLJHYOL-CYBMUJFWSA-N 2 2 311.389 3.081 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000093079085 400224971 /nfs/dbraw/zinc/22/49/71/400224971.db2.gz GGXLSYVFBNEYRP-HKUYNNGSSA-N 2 2 323.440 3.016 20 0 DGADLP Cc1[nH+]cccc1Cc1noc(C2C[NH+](C3CCCCC3)C2)n1 ZINC000351229625 400241287 /nfs/dbraw/zinc/24/12/87/400241287.db2.gz HLADURMTKRBAIE-UHFFFAOYSA-N 2 2 312.417 3.096 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1N(C)C ZINC000093942051 400263989 /nfs/dbraw/zinc/26/39/89/400263989.db2.gz FQEKCQPOKGQIBA-OAHLLOKOSA-N 2 2 321.428 3.184 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2[nH]nc3ccccc32)c[nH+]1 ZINC000589640213 400312663 /nfs/dbraw/zinc/31/26/63/400312663.db2.gz LGSIAHQUFRILOF-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865747 400258374 /nfs/dbraw/zinc/25/83/74/400258374.db2.gz VNHIWBHADIHDFZ-ZDUSSCGKSA-N 2 2 323.318 3.149 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865747 400258377 /nfs/dbraw/zinc/25/83/77/400258377.db2.gz VNHIWBHADIHDFZ-ZDUSSCGKSA-N 2 2 323.318 3.149 20 0 DGADLP COc1c(C)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093865887 400258869 /nfs/dbraw/zinc/25/88/69/400258869.db2.gz ASODJVUMMPXFBY-GOSISDBHSA-N 2 2 312.413 3.360 20 0 DGADLP COc1c(C)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093865887 400258874 /nfs/dbraw/zinc/25/88/74/400258874.db2.gz ASODJVUMMPXFBY-GOSISDBHSA-N 2 2 312.413 3.360 20 0 DGADLP CCSC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000596653590 400473557 /nfs/dbraw/zinc/47/35/57/400473557.db2.gz VWZLQKONOHBCMS-IRXDYDNUSA-N 2 2 320.502 3.364 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000596654704 400473603 /nfs/dbraw/zinc/47/36/03/400473603.db2.gz MGCHWRZSYSYPBD-GWCFXTLKSA-N 2 2 306.397 3.307 20 0 DGADLP Brc1csc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353191 400490325 /nfs/dbraw/zinc/49/03/25/400490325.db2.gz QSRZRDGFTHZOAX-UHFFFAOYSA-N 2 2 314.252 3.277 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)c[nH+]1 ZINC000591869343 400567754 /nfs/dbraw/zinc/56/77/54/400567754.db2.gz QOYPNOFZLFUBDI-IBGZPJMESA-N 2 2 313.445 3.169 20 0 DGADLP c1cn([C@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)c[nH+]1 ZINC000591869343 400567761 /nfs/dbraw/zinc/56/77/61/400567761.db2.gz QOYPNOFZLFUBDI-IBGZPJMESA-N 2 2 313.445 3.169 20 0 DGADLP c1csc(-c2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)no2)c1 ZINC000591867663 400568034 /nfs/dbraw/zinc/56/80/34/400568034.db2.gz QRGMXVRAPSWSOU-AWEZNQCLSA-N 2 2 314.414 3.437 20 0 DGADLP c1csc(-c2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)no2)c1 ZINC000591867663 400568040 /nfs/dbraw/zinc/56/80/40/400568040.db2.gz QRGMXVRAPSWSOU-AWEZNQCLSA-N 2 2 314.414 3.437 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836620 400613880 /nfs/dbraw/zinc/61/38/80/400613880.db2.gz NEBSUJDIQKCWHY-SFHVURJKSA-N 2 2 324.472 3.180 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836620 400613881 /nfs/dbraw/zinc/61/38/81/400613881.db2.gz NEBSUJDIQKCWHY-SFHVURJKSA-N 2 2 324.472 3.180 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1csc2ccccc12 ZINC000076897854 400678923 /nfs/dbraw/zinc/67/89/23/400678923.db2.gz GEVQSHDVHPBEMC-CQSZACIVSA-N 2 2 304.459 3.102 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000604069722 400747786 /nfs/dbraw/zinc/74/77/86/400747786.db2.gz DWKROWSUNYTXSH-KRWDZBQOSA-N 2 2 320.440 3.317 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000604069722 400747791 /nfs/dbraw/zinc/74/77/91/400747791.db2.gz DWKROWSUNYTXSH-KRWDZBQOSA-N 2 2 320.440 3.317 20 0 DGADLP Fc1cc(C[NH2+]CC2CCSCC2)ccc1-n1cc[nH+]c1 ZINC000603515143 400695373 /nfs/dbraw/zinc/69/53/73/400695373.db2.gz SCDUQNPOKNJFPP-UHFFFAOYSA-N 2 2 305.422 3.244 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155024660 400699539 /nfs/dbraw/zinc/69/95/39/400699539.db2.gz BWVVDCHHGHRBBI-VQIMIIECSA-N 2 2 320.452 3.321 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155024660 400699542 /nfs/dbraw/zinc/69/95/42/400699542.db2.gz BWVVDCHHGHRBBI-VQIMIIECSA-N 2 2 320.452 3.321 20 0 DGADLP COC(=O)c1oc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1C ZINC000603658877 400706940 /nfs/dbraw/zinc/70/69/40/400706940.db2.gz KRYJXWIKPKDFNV-UHFFFAOYSA-N 2 2 322.449 3.119 20 0 DGADLP COC(=O)c1oc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1C ZINC000603658877 400706945 /nfs/dbraw/zinc/70/69/45/400706945.db2.gz KRYJXWIKPKDFNV-UHFFFAOYSA-N 2 2 322.449 3.119 20 0 DGADLP O[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1Cl ZINC000052005244 400713985 /nfs/dbraw/zinc/71/39/85/400713985.db2.gz QFDHSRJAGMXQOH-GOSISDBHSA-N 2 2 322.880 3.324 20 0 DGADLP Clc1ccc(-c2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000613997384 400824444 /nfs/dbraw/zinc/82/44/44/400824444.db2.gz XQNQTXJFASJGRX-CHWSQXEVSA-N 2 2 319.861 3.115 20 0 DGADLP CC(C)(C)[C@@H](CCO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154280 400845684 /nfs/dbraw/zinc/84/56/84/400845684.db2.gz GMIVLXSSZRMJCG-QZTJIDSGSA-N 2 2 318.505 3.426 20 0 DGADLP CC(C)(C)[C@@H](CCO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000614154280 400845687 /nfs/dbraw/zinc/84/56/87/400845687.db2.gz GMIVLXSSZRMJCG-QZTJIDSGSA-N 2 2 318.505 3.426 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)cc2[nH+]1 ZINC000606358523 400902548 /nfs/dbraw/zinc/90/25/48/400902548.db2.gz NVEKZOQIGCXXIE-INIZCTEOSA-N 2 2 314.433 3.328 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C)cc2[nH+]1 ZINC000606358523 400902549 /nfs/dbraw/zinc/90/25/49/400902549.db2.gz NVEKZOQIGCXXIE-INIZCTEOSA-N 2 2 314.433 3.328 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000079879871 400904413 /nfs/dbraw/zinc/90/44/13/400904413.db2.gz BVWZVGZTPFHUFG-AWEZNQCLSA-N 2 2 306.454 3.027 20 0 DGADLP CCSc1ccc(C[N@H+](C)CCC[NH3+])c(Br)c1 ZINC000629514129 400952361 /nfs/dbraw/zinc/95/23/61/400952361.db2.gz KRKXBHBCBBTNGZ-UHFFFAOYSA-N 2 2 317.296 3.342 20 0 DGADLP CCSc1ccc(C[N@@H+](C)CCC[NH3+])c(Br)c1 ZINC000629514129 400952364 /nfs/dbraw/zinc/95/23/64/400952364.db2.gz KRKXBHBCBBTNGZ-UHFFFAOYSA-N 2 2 317.296 3.342 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000598963282 400913296 /nfs/dbraw/zinc/91/32/96/400913296.db2.gz CELAYCVQYWJNRL-CHWSQXEVSA-N 2 2 324.490 3.276 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000598963282 400913301 /nfs/dbraw/zinc/91/33/01/400913301.db2.gz CELAYCVQYWJNRL-CHWSQXEVSA-N 2 2 324.490 3.276 20 0 DGADLP Fc1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958931 401007007 /nfs/dbraw/zinc/00/70/07/401007007.db2.gz IIRCOCOCHPSAPH-AWEZNQCLSA-N 2 2 303.381 3.197 20 0 DGADLP Fc1ccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958931 401007011 /nfs/dbraw/zinc/00/70/11/401007011.db2.gz IIRCOCOCHPSAPH-AWEZNQCLSA-N 2 2 303.381 3.197 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961168 401007561 /nfs/dbraw/zinc/00/75/61/401007561.db2.gz IDQVRRJIMPEILB-CYBMUJFWSA-N 2 2 305.809 3.322 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961168 401007567 /nfs/dbraw/zinc/00/75/67/401007567.db2.gz IDQVRRJIMPEILB-CYBMUJFWSA-N 2 2 305.809 3.322 20 0 DGADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960320 401007691 /nfs/dbraw/zinc/00/76/91/401007691.db2.gz NFQOMXLYVVIGLJ-CQSZACIVSA-N 2 2 310.376 3.477 20 0 DGADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960320 401007696 /nfs/dbraw/zinc/00/76/96/401007696.db2.gz NFQOMXLYVVIGLJ-CQSZACIVSA-N 2 2 310.376 3.477 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961165 401007841 /nfs/dbraw/zinc/00/78/41/401007841.db2.gz IDQVRRJIMPEILB-ZDUSSCGKSA-N 2 2 305.809 3.322 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961165 401007847 /nfs/dbraw/zinc/00/78/47/401007847.db2.gz IDQVRRJIMPEILB-ZDUSSCGKSA-N 2 2 305.809 3.322 20 0 DGADLP c1ccc2c(c1)C=C(C[NH2+]CC[NH2+]C1CCCCCC1)CO2 ZINC000629647701 401013977 /nfs/dbraw/zinc/01/39/77/401013977.db2.gz FILXLZGWLXOSNR-UHFFFAOYSA-N 2 2 300.446 3.364 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000629536716 400965449 /nfs/dbraw/zinc/96/54/49/400965449.db2.gz IPJDSLKBARRXBI-WZRBSPASSA-N 2 2 302.340 3.376 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629560791 400975277 /nfs/dbraw/zinc/97/52/77/400975277.db2.gz PEFATIQXCXVNJW-QWHCGFSZSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629560791 400975283 /nfs/dbraw/zinc/97/52/83/400975283.db2.gz PEFATIQXCXVNJW-QWHCGFSZSA-N 2 2 304.331 3.093 20 0 DGADLP CO[C@@H](c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1)[C@@H](C)[NH3+] ZINC000629710633 401054240 /nfs/dbraw/zinc/05/42/40/401054240.db2.gz VKXFMWZIWVOPKD-AUUYWEPGSA-N 2 2 311.429 3.384 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567988 401078141 /nfs/dbraw/zinc/07/81/41/401078141.db2.gz IVXSWGFXDHVOLT-CYBMUJFWSA-N 2 2 324.852 3.232 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567988 401078147 /nfs/dbraw/zinc/07/81/47/401078147.db2.gz IVXSWGFXDHVOLT-CYBMUJFWSA-N 2 2 324.852 3.232 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567988 401078155 /nfs/dbraw/zinc/07/81/55/401078155.db2.gz IVXSWGFXDHVOLT-CYBMUJFWSA-N 2 2 324.852 3.232 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081567988 401078162 /nfs/dbraw/zinc/07/81/62/401078162.db2.gz IVXSWGFXDHVOLT-CYBMUJFWSA-N 2 2 324.852 3.232 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000058067210 401040981 /nfs/dbraw/zinc/04/09/81/401040981.db2.gz WIQYBCYGEVCBKS-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000058067210 401040986 /nfs/dbraw/zinc/04/09/86/401040986.db2.gz WIQYBCYGEVCBKS-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000599427736 401046859 /nfs/dbraw/zinc/04/68/59/401046859.db2.gz UFICUPFQWOBEMR-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000599427736 401046865 /nfs/dbraw/zinc/04/68/65/401046865.db2.gz UFICUPFQWOBEMR-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000599427736 401046870 /nfs/dbraw/zinc/04/68/70/401046870.db2.gz UFICUPFQWOBEMR-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000599427736 401046877 /nfs/dbraw/zinc/04/68/77/401046877.db2.gz UFICUPFQWOBEMR-VQIMIIECSA-N 2 2 324.509 3.161 20 0 DGADLP C[C@@H]1c2cccn2CC[N@H+]1C/C=C\C[NH+]1CCn2cccc2[C@@H]1C ZINC000255027367 401101925 /nfs/dbraw/zinc/10/19/25/401101925.db2.gz NYPDRKMCZJZHOK-FEFURNDJSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[N@@H+]1C/C=C\C[NH+]1CCn2cccc2[C@@H]1C ZINC000255027367 401101926 /nfs/dbraw/zinc/10/19/26/401101926.db2.gz NYPDRKMCZJZHOK-FEFURNDJSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C\C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000255027367 401101931 /nfs/dbraw/zinc/10/19/31/401101931.db2.gz NYPDRKMCZJZHOK-FEFURNDJSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C\C[N@H+]1CCn2cccc2[C@@H]1C ZINC000255027367 401101935 /nfs/dbraw/zinc/10/19/35/401101935.db2.gz NYPDRKMCZJZHOK-FEFURNDJSA-N 2 2 324.472 3.299 20 0 DGADLP Cc1cn2ccc(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000620649180 401165807 /nfs/dbraw/zinc/16/58/07/401165807.db2.gz WLOOEEJHCQNJHG-QGZVFWFLSA-N 2 2 314.433 3.092 20 0 DGADLP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000358290467 286021836 /nfs/dbraw/zinc/02/18/36/286021836.db2.gz DYDWXHGQWDAKKB-MRXNPFEDSA-N 2 2 309.404 3.214 20 0 DGADLP Cc1scc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1C ZINC000630072588 401176953 /nfs/dbraw/zinc/17/69/53/401176953.db2.gz GOBMOOUCMPZSJW-UHFFFAOYSA-N 2 2 308.491 3.052 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)[C@@H](C)C1 ZINC000358319147 286030670 /nfs/dbraw/zinc/03/06/70/286030670.db2.gz NPUAXBLRLHULGM-MAZHCROVSA-N 2 2 306.425 3.358 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)[C@@H](C)C1 ZINC000358319147 286030672 /nfs/dbraw/zinc/03/06/72/286030672.db2.gz NPUAXBLRLHULGM-MAZHCROVSA-N 2 2 306.425 3.358 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000682534616 549336192 /nfs/dbraw/zinc/33/61/92/549336192.db2.gz QBOKDMWRYOUKHR-FUHWJXTLSA-N 2 2 319.493 3.087 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000682534616 549336196 /nfs/dbraw/zinc/33/61/96/549336196.db2.gz QBOKDMWRYOUKHR-FUHWJXTLSA-N 2 2 319.493 3.087 20 0 DGADLP CC(C)CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000090234640 401264519 /nfs/dbraw/zinc/26/45/19/401264519.db2.gz ODZBAOZATANAGT-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000089555194 401226936 /nfs/dbraw/zinc/22/69/36/401226936.db2.gz RWLLCGMTNLWUCU-MPLMCADHSA-N 2 2 301.478 3.460 20 0 DGADLP CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000089555194 401226940 /nfs/dbraw/zinc/22/69/40/401226940.db2.gz RWLLCGMTNLWUCU-MPLMCADHSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc(C)c1F ZINC000090047130 401249552 /nfs/dbraw/zinc/24/95/52/401249552.db2.gz XIBLMCLCXAMDKX-JKSUJKDBSA-N 2 2 308.441 3.204 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090085757 401255411 /nfs/dbraw/zinc/25/54/11/401255411.db2.gz CNGGTXLCXZPHNF-LSDHHAIUSA-N 2 2 301.434 3.320 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000634678065 401331189 /nfs/dbraw/zinc/33/11/89/401331189.db2.gz HMGNXDZQDPKSIU-LSDHHAIUSA-N 2 2 308.491 3.432 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OCC(C)C ZINC000622006001 401335426 /nfs/dbraw/zinc/33/54/26/401335426.db2.gz RLDVDYJZRWRWIR-QFBILLFUSA-N 2 2 318.461 3.043 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OCC(C)C ZINC000622006001 401335427 /nfs/dbraw/zinc/33/54/27/401335427.db2.gz RLDVDYJZRWRWIR-QFBILLFUSA-N 2 2 318.461 3.043 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3ncccc23)C[C@H]1c1ccccc1F ZINC000634688618 401335546 /nfs/dbraw/zinc/33/55/46/401335546.db2.gz YCRXUVKZZMCZBR-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3ncccc23)C[C@H]1c1ccccc1F ZINC000634688618 401335549 /nfs/dbraw/zinc/33/55/49/401335549.db2.gz YCRXUVKZZMCZBR-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP C[NH+](C)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000066044078 401291185 /nfs/dbraw/zinc/29/11/85/401291185.db2.gz HPQHMNXHHFBWHJ-SFHVURJKSA-N 2 2 320.396 3.114 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2csc(C)c2)CC1 ZINC000626089221 401297296 /nfs/dbraw/zinc/29/72/96/401297296.db2.gz GRHSDHISDHDVOV-UHFFFAOYSA-N 2 2 308.491 3.133 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000621777468 401299268 /nfs/dbraw/zinc/29/92/68/401299268.db2.gz CQWVIZKTWXKRAO-VQIMIIECSA-N 2 2 300.446 3.128 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000621777468 401299270 /nfs/dbraw/zinc/29/92/70/401299270.db2.gz CQWVIZKTWXKRAO-VQIMIIECSA-N 2 2 300.446 3.128 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991091 401396899 /nfs/dbraw/zinc/39/68/99/401396899.db2.gz PLSTZQSGOVXYOG-KUHUBIRLSA-N 2 2 310.445 3.033 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991091 401396904 /nfs/dbraw/zinc/39/69/04/401396904.db2.gz PLSTZQSGOVXYOG-KUHUBIRLSA-N 2 2 310.445 3.033 20 0 DGADLP c1ccc2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]cc2c1 ZINC000631123223 401401899 /nfs/dbraw/zinc/40/18/99/401401899.db2.gz PPJCYVISACGPQR-HNNXBMFYSA-N 2 2 311.429 3.148 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000635010277 401402182 /nfs/dbraw/zinc/40/21/82/401402182.db2.gz JJWKHWSYMMWXSM-DOTOQJQBSA-N 3 2 312.461 3.301 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631195245 401423018 /nfs/dbraw/zinc/42/30/18/401423018.db2.gz UYKSCQSAXXFWOK-WMLDXEAASA-N 2 2 315.486 3.309 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631195245 401423020 /nfs/dbraw/zinc/42/30/20/401423020.db2.gz UYKSCQSAXXFWOK-WMLDXEAASA-N 2 2 315.486 3.309 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cscn1 ZINC000631197445 401424702 /nfs/dbraw/zinc/42/47/02/401424702.db2.gz ZHFIOEOQZIEODH-HOCLYGCPSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cscn1 ZINC000631197445 401424703 /nfs/dbraw/zinc/42/47/03/401424703.db2.gz ZHFIOEOQZIEODH-HOCLYGCPSA-N 2 2 301.459 3.001 20 0 DGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000635377410 401435377 /nfs/dbraw/zinc/43/53/77/401435377.db2.gz YZHFWDUMAGJKJU-QGZVFWFLSA-N 2 2 324.428 3.043 20 0 DGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635377410 401435380 /nfs/dbraw/zinc/43/53/80/401435380.db2.gz YZHFWDUMAGJKJU-QGZVFWFLSA-N 2 2 324.428 3.043 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@H]3CC[N@H+](C)C3)cc2[nH+]1 ZINC000635440921 401442359 /nfs/dbraw/zinc/44/23/59/401442359.db2.gz DPLKZRMHZHANPN-CYBMUJFWSA-N 2 2 314.433 3.186 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@H]3CC[N@@H+](C)C3)cc2[nH+]1 ZINC000635440921 401442361 /nfs/dbraw/zinc/44/23/61/401442361.db2.gz DPLKZRMHZHANPN-CYBMUJFWSA-N 2 2 314.433 3.186 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000358409984 286054245 /nfs/dbraw/zinc/05/42/45/286054245.db2.gz VHDIAARXJCGJCD-BKTGTZMESA-N 2 2 300.446 3.145 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000358409984 286054246 /nfs/dbraw/zinc/05/42/46/286054246.db2.gz VHDIAARXJCGJCD-BKTGTZMESA-N 2 2 300.446 3.145 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[C@@H]1CC2CCC1CC2 ZINC000623015180 401454173 /nfs/dbraw/zinc/45/41/73/401454173.db2.gz LCFAGGQKPBGVER-FWISEASCSA-N 2 2 317.477 3.445 20 0 DGADLP Cc1cc(F)ccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088889 401462760 /nfs/dbraw/zinc/46/27/60/401462760.db2.gz JQBXBWZXRFMHPG-UHFFFAOYSA-N 2 2 300.368 3.201 20 0 DGADLP Fc1ccc(F)c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088739 401463073 /nfs/dbraw/zinc/46/30/73/401463073.db2.gz BIEPQDVSFHCFMB-UHFFFAOYSA-N 2 2 304.331 3.032 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(OC)c1OC ZINC000631563241 401498113 /nfs/dbraw/zinc/49/81/13/401498113.db2.gz NEEWUWSDUJAVHN-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(OC)c1OC ZINC000631563241 401498115 /nfs/dbraw/zinc/49/81/15/401498115.db2.gz NEEWUWSDUJAVHN-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000631565142 401498742 /nfs/dbraw/zinc/49/87/42/401498742.db2.gz CKYDTEWLEUYBGX-GOSISDBHSA-N 2 2 307.397 3.163 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1OC ZINC000631590530 401508086 /nfs/dbraw/zinc/50/80/86/401508086.db2.gz PNFWPTRTMGNCPK-COXVUDFISA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1OC ZINC000631590530 401508088 /nfs/dbraw/zinc/50/80/88/401508088.db2.gz PNFWPTRTMGNCPK-COXVUDFISA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1OC ZINC000631590533 401508182 /nfs/dbraw/zinc/50/81/82/401508182.db2.gz PNFWPTRTMGNCPK-XOKHGSTOSA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1OC ZINC000631590533 401508184 /nfs/dbraw/zinc/50/81/84/401508184.db2.gz PNFWPTRTMGNCPK-XOKHGSTOSA-N 2 2 318.461 3.227 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]c1C ZINC000628163240 401539246 /nfs/dbraw/zinc/53/92/46/401539246.db2.gz VBQBBCPLYOOBRN-KRWDZBQOSA-N 2 2 304.482 3.115 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)sc2c1 ZINC000623657287 401563315 /nfs/dbraw/zinc/56/33/15/401563315.db2.gz MSFPXLYPFLLYIC-ZDUSSCGKSA-N 2 2 319.474 3.126 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)sc2c1 ZINC000623657287 401563317 /nfs/dbraw/zinc/56/33/17/401563317.db2.gz MSFPXLYPFLLYIC-ZDUSSCGKSA-N 2 2 319.474 3.126 20 0 DGADLP Cc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328739 401577183 /nfs/dbraw/zinc/57/71/83/401577183.db2.gz UKTSFURPUFMGHC-UYAOXDASSA-N 2 2 316.489 3.285 20 0 DGADLP Cc1ccc([C@H](C)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328739 401577184 /nfs/dbraw/zinc/57/71/84/401577184.db2.gz UKTSFURPUFMGHC-UYAOXDASSA-N 2 2 316.489 3.285 20 0 DGADLP Cc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328736 401577456 /nfs/dbraw/zinc/57/74/56/401577456.db2.gz UKTSFURPUFMGHC-AZUAARDMSA-N 2 2 316.489 3.285 20 0 DGADLP Cc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000628328736 401577459 /nfs/dbraw/zinc/57/74/59/401577459.db2.gz UKTSFURPUFMGHC-AZUAARDMSA-N 2 2 316.489 3.285 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623864805 401590114 /nfs/dbraw/zinc/59/01/14/401590114.db2.gz ZPHCZXYDXYZBMS-KFWWJZLASA-N 2 2 307.507 3.478 20 0 DGADLP Cc1csc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)n1 ZINC000623902939 401596921 /nfs/dbraw/zinc/59/69/21/401596921.db2.gz URSJAWFUDHSGLM-CYBMUJFWSA-N 2 2 300.431 3.301 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC ZINC000623633824 401559381 /nfs/dbraw/zinc/55/93/81/401559381.db2.gz FWLDPFCJQUJINC-GDBMZVCRSA-N 2 2 306.450 3.056 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC ZINC000623633824 401559384 /nfs/dbraw/zinc/55/93/84/401559384.db2.gz FWLDPFCJQUJINC-GDBMZVCRSA-N 2 2 306.450 3.056 20 0 DGADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628254788 401561622 /nfs/dbraw/zinc/56/16/22/401561622.db2.gz PCSQQVCOAIIINX-MRXNPFEDSA-N 2 2 311.429 3.164 20 0 DGADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628254788 401561625 /nfs/dbraw/zinc/56/16/25/401561625.db2.gz PCSQQVCOAIIINX-MRXNPFEDSA-N 2 2 311.429 3.164 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000624121815 401629052 /nfs/dbraw/zinc/62/90/52/401629052.db2.gz DJKLJAXDNVZHBS-YLJYHZDGSA-N 2 2 309.457 3.493 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000624121815 401629053 /nfs/dbraw/zinc/62/90/53/401629053.db2.gz DJKLJAXDNVZHBS-YLJYHZDGSA-N 2 2 309.457 3.493 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624225889 401641474 /nfs/dbraw/zinc/64/14/74/401641474.db2.gz DKZIBKDMVYUEJL-OXQOHEQNSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000624225889 401641476 /nfs/dbraw/zinc/64/14/76/401641476.db2.gz DKZIBKDMVYUEJL-OXQOHEQNSA-N 2 2 310.441 3.071 20 0 DGADLP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624014973 401613228 /nfs/dbraw/zinc/61/32/28/401613228.db2.gz LJIRHYYAUJEHLZ-UYAOXDASSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358485115 286074488 /nfs/dbraw/zinc/07/44/88/286074488.db2.gz SQSRSFBEHZOCDK-LSDHHAIUSA-N 2 2 312.461 3.306 20 0 DGADLP C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358485115 286074489 /nfs/dbraw/zinc/07/44/89/286074489.db2.gz SQSRSFBEHZOCDK-LSDHHAIUSA-N 2 2 312.461 3.306 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[NH2+]1 ZINC000629396335 401684011 /nfs/dbraw/zinc/68/40/11/401684011.db2.gz KPWSMLCOCGFFNP-KSSFIOAISA-N 2 2 321.896 3.035 20 0 DGADLP CC(C)c1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc[nH+]1 ZINC000358800786 286157103 /nfs/dbraw/zinc/15/71/03/286157103.db2.gz BGNGAAOYWOORPQ-HNNXBMFYSA-N 2 2 314.433 3.254 20 0 DGADLP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]c(C(C)C)n1 ZINC000358807213 286158643 /nfs/dbraw/zinc/15/86/43/286158643.db2.gz OWOVEHSLNRCMNB-UHFFFAOYSA-N 2 2 312.461 3.476 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358817400 286160896 /nfs/dbraw/zinc/16/08/96/286160896.db2.gz BZCJASZVHMEZDD-AZUAARDMSA-N 3 2 317.521 3.361 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358817400 286160898 /nfs/dbraw/zinc/16/08/98/286160898.db2.gz BZCJASZVHMEZDD-AZUAARDMSA-N 3 2 317.521 3.361 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@@H+]1C ZINC000358979044 286204561 /nfs/dbraw/zinc/20/45/61/286204561.db2.gz FZQJEJPSHAUTGL-AYOQOUSVSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCC[N@H+]1C ZINC000358979044 286204563 /nfs/dbraw/zinc/20/45/63/286204563.db2.gz FZQJEJPSHAUTGL-AYOQOUSVSA-N 2 2 324.472 3.322 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](CCCCOC)c2ccccc2)[C@@H](C)C1 ZINC000359030170 286219407 /nfs/dbraw/zinc/21/94/07/286219407.db2.gz OWSKWBVPSAYVCG-UHOSZYNNSA-N 2 2 304.478 3.474 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CCCCOC)c2ccccc2)[C@@H](C)C1 ZINC000359030170 286219408 /nfs/dbraw/zinc/21/94/08/286219408.db2.gz OWSKWBVPSAYVCG-UHOSZYNNSA-N 2 2 304.478 3.474 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1nc2ccc(Cl)cc2n1C ZINC000359293681 286277086 /nfs/dbraw/zinc/27/70/86/286277086.db2.gz TVBDSBITNJWEBX-NWDGAFQWSA-N 2 2 317.824 3.163 20 0 DGADLP CCC[N@H+](C)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000359291818 286276884 /nfs/dbraw/zinc/27/68/84/286276884.db2.gz RDJRBMVKLGTWMU-UHFFFAOYSA-N 2 2 300.406 3.111 20 0 DGADLP CCC[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000359291818 286276885 /nfs/dbraw/zinc/27/68/85/286276885.db2.gz RDJRBMVKLGTWMU-UHFFFAOYSA-N 2 2 300.406 3.111 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2CC)C12CCC2 ZINC000423498849 286284927 /nfs/dbraw/zinc/28/49/27/286284927.db2.gz ILHIWLWPPYTXFO-RCCFBDPRSA-N 2 2 302.462 3.186 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000359375971 286295734 /nfs/dbraw/zinc/29/57/34/286295734.db2.gz IRMKXPBKRSSQSU-HRCADAONSA-N 2 2 308.491 3.290 20 0 DGADLP COCC1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295512206 292265295 /nfs/dbraw/zinc/26/52/95/292265295.db2.gz VAIMNRFZNMKQHA-NHFHULPWSA-N 2 2 304.478 3.473 20 0 DGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000359529989 286328116 /nfs/dbraw/zinc/32/81/16/286328116.db2.gz YYALLTHAWRVLIJ-IAGOWNOFSA-N 2 2 320.477 3.093 20 0 DGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359529989 286328117 /nfs/dbraw/zinc/32/81/17/286328117.db2.gz YYALLTHAWRVLIJ-IAGOWNOFSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000359677560 286359158 /nfs/dbraw/zinc/35/91/58/286359158.db2.gz MOVDUTJTWJZKID-QWQRMKEZSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000359677560 286359159 /nfs/dbraw/zinc/35/91/59/286359159.db2.gz MOVDUTJTWJZKID-QWQRMKEZSA-N 2 2 322.880 3.416 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000359679866 286359622 /nfs/dbraw/zinc/35/96/22/286359622.db2.gz PTRSJIPGTRNHOY-GPMSIDNRSA-N 2 2 302.462 3.153 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359745598 286373020 /nfs/dbraw/zinc/37/30/20/286373020.db2.gz FCWMOMUXXGBVRK-UHFFFAOYSA-N 2 2 316.898 3.381 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000359953384 286396285 /nfs/dbraw/zinc/39/62/85/286396285.db2.gz WNCWPJQVTNUQGZ-CYBMUJFWSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000360167049 286434834 /nfs/dbraw/zinc/43/48/34/286434834.db2.gz UXWPWLYKMLWVRM-AWEZNQCLSA-N 2 2 321.534 3.480 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000360655501 286515425 /nfs/dbraw/zinc/51/54/25/286515425.db2.gz DENXITJEAJZFNH-APWZRJJASA-N 2 2 316.489 3.500 20 0 DGADLP Cc1nc(NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc[nH+]1 ZINC000361025150 286579666 /nfs/dbraw/zinc/57/96/66/286579666.db2.gz JRRFVYFBWKZPJS-CRAIPNDOSA-N 2 2 312.461 3.384 20 0 DGADLP COCCC[C@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000178247826 292382500 /nfs/dbraw/zinc/38/25/00/292382500.db2.gz CNBCFEHTCPOFRR-LPHOPBHVSA-N 2 2 320.477 3.237 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[C@H]3CC[NH2+]C3)c2)[nH+]c1C ZINC000361702359 286716358 /nfs/dbraw/zinc/71/63/58/286716358.db2.gz VCDBJDSLBDPXKX-AWEZNQCLSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3ccc(F)cc3[nH]1)CCC2 ZINC000362932312 286878062 /nfs/dbraw/zinc/87/80/62/286878062.db2.gz WCQFCENFQXDDIA-AWEZNQCLSA-N 2 2 312.392 3.479 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940771 286920916 /nfs/dbraw/zinc/92/09/16/286920916.db2.gz IZUMZYNEHBMWOA-IMJJTQAJSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000293753105 287034717 /nfs/dbraw/zinc/03/47/17/287034717.db2.gz ROIUZYFVNQFUTA-NWDGAFQWSA-N 2 2 308.857 3.075 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCCO2 ZINC000423378943 287039184 /nfs/dbraw/zinc/03/91/84/287039184.db2.gz GEFCORPDVGXEAW-RDTXWAMCSA-N 2 2 318.461 3.277 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422914050 287052991 /nfs/dbraw/zinc/05/29/91/287052991.db2.gz ZYNSSJUTEADBCD-FCGDIQPGSA-N 3 2 321.553 3.397 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422914050 287052993 /nfs/dbraw/zinc/05/29/93/287052993.db2.gz ZYNSSJUTEADBCD-FCGDIQPGSA-N 3 2 321.553 3.397 20 0 DGADLP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364700997 287053846 /nfs/dbraw/zinc/05/38/46/287053846.db2.gz WPFNPDOOKMFKNB-SOLBZPMBSA-N 2 2 306.498 3.171 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364700997 287053849 /nfs/dbraw/zinc/05/38/49/287053849.db2.gz WPFNPDOOKMFKNB-SOLBZPMBSA-N 2 2 306.498 3.171 20 0 DGADLP CC[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364700997 287053852 /nfs/dbraw/zinc/05/38/52/287053852.db2.gz WPFNPDOOKMFKNB-SOLBZPMBSA-N 2 2 306.498 3.171 20 0 DGADLP CC[C@@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364700997 287053853 /nfs/dbraw/zinc/05/38/53/287053853.db2.gz WPFNPDOOKMFKNB-SOLBZPMBSA-N 2 2 306.498 3.171 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701802 287054184 /nfs/dbraw/zinc/05/41/84/287054184.db2.gz XZLASHQORUAERT-YTQUADARSA-N 2 2 316.493 3.234 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701802 287054185 /nfs/dbraw/zinc/05/41/85/287054185.db2.gz XZLASHQORUAERT-YTQUADARSA-N 2 2 316.493 3.234 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701802 287054187 /nfs/dbraw/zinc/05/41/87/287054187.db2.gz XZLASHQORUAERT-YTQUADARSA-N 2 2 316.493 3.234 20 0 DGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000364701802 287054188 /nfs/dbraw/zinc/05/41/88/287054188.db2.gz XZLASHQORUAERT-YTQUADARSA-N 2 2 316.493 3.234 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423117082 287069522 /nfs/dbraw/zinc/06/95/22/287069522.db2.gz SWBXCQUCTSZCKZ-NEWSRXKRSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423117082 287069526 /nfs/dbraw/zinc/06/95/26/287069526.db2.gz SWBXCQUCTSZCKZ-NEWSRXKRSA-N 3 2 315.505 3.017 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C1CCSCC1 ZINC000186947953 165066893 /nfs/dbraw/zinc/06/68/93/165066893.db2.gz KCSYIKIQHSRSLP-CYBMUJFWSA-N 2 2 303.475 3.466 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCC23CCCC3)cc(C[NH+]2CCOCC2)c1 ZINC000189071814 165147728 /nfs/dbraw/zinc/14/77/28/165147728.db2.gz IPWVMGGMTNPOAD-LJQANCHMSA-N 2 2 314.473 3.331 20 0 DGADLP c1cc(C[NH2+][C@H]2CCC23CCCC3)cc(C[NH+]2CCOCC2)c1 ZINC000189071840 165148784 /nfs/dbraw/zinc/14/87/84/165148784.db2.gz IPWVMGGMTNPOAD-IBGZPJMESA-N 2 2 314.473 3.331 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000190697595 165213692 /nfs/dbraw/zinc/21/36/92/165213692.db2.gz LVMCEZRDYYLBTN-QGZVFWFLSA-N 2 2 312.461 3.226 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000190697595 165213697 /nfs/dbraw/zinc/21/36/97/165213697.db2.gz LVMCEZRDYYLBTN-QGZVFWFLSA-N 2 2 312.461 3.226 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000192075646 165280522 /nfs/dbraw/zinc/28/05/22/165280522.db2.gz AVQAAPNBVWRFFH-DYVFJYSZSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000192075646 165280527 /nfs/dbraw/zinc/28/05/27/165280527.db2.gz AVQAAPNBVWRFFH-DYVFJYSZSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000192075646 165280531 /nfs/dbraw/zinc/28/05/31/165280531.db2.gz AVQAAPNBVWRFFH-DYVFJYSZSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000192075646 165280534 /nfs/dbraw/zinc/28/05/34/165280534.db2.gz AVQAAPNBVWRFFH-DYVFJYSZSA-N 2 2 308.853 3.265 20 0 DGADLP COC[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000365250654 287114029 /nfs/dbraw/zinc/11/40/29/287114029.db2.gz ALJXYAJWSGECES-KRWDZBQOSA-N 2 2 313.445 3.429 20 0 DGADLP COC[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000365250654 287114031 /nfs/dbraw/zinc/11/40/31/287114031.db2.gz ALJXYAJWSGECES-KRWDZBQOSA-N 2 2 313.445 3.429 20 0 DGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365677733 287161941 /nfs/dbraw/zinc/16/19/41/287161941.db2.gz ZFPRZHYQTDIXDS-QGZVFWFLSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365677733 287161944 /nfs/dbraw/zinc/16/19/44/287161944.db2.gz ZFPRZHYQTDIXDS-QGZVFWFLSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)CCC2 ZINC000365872995 287182836 /nfs/dbraw/zinc/18/28/36/287182836.db2.gz LBVRGLSXUBUNAN-WCXIOVBPSA-N 2 2 315.461 3.006 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000136313076 432152275 /nfs/dbraw/zinc/15/22/75/432152275.db2.gz QTPXRFNYSMUFSS-ZDUSSCGKSA-N 2 2 305.426 3.000 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246712008 432157344 /nfs/dbraw/zinc/15/73/44/432157344.db2.gz ZWZRMOLCTZLYRB-PXNSSMCTSA-N 2 2 314.473 3.108 20 0 DGADLP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246712008 432157347 /nfs/dbraw/zinc/15/73/47/432157347.db2.gz ZWZRMOLCTZLYRB-PXNSSMCTSA-N 2 2 314.473 3.108 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000136895956 432165578 /nfs/dbraw/zinc/16/55/78/432165578.db2.gz YBRWYLXWOFLUHU-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000136895956 432165582 /nfs/dbraw/zinc/16/55/82/432165582.db2.gz YBRWYLXWOFLUHU-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129586967 196059434 /nfs/dbraw/zinc/05/94/34/196059434.db2.gz YMORQCCCHAPRDK-ZBFHGGJFSA-N 2 2 323.400 3.016 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129586967 196059435 /nfs/dbraw/zinc/05/94/35/196059435.db2.gz YMORQCCCHAPRDK-ZBFHGGJFSA-N 2 2 323.400 3.016 20 0 DGADLP CCc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000246897457 432178204 /nfs/dbraw/zinc/17/82/04/432178204.db2.gz RHVXWNVWDWCRAY-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000246897457 432178206 /nfs/dbraw/zinc/17/82/06/432178206.db2.gz RHVXWNVWDWCRAY-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000246897457 432178208 /nfs/dbraw/zinc/17/82/08/432178208.db2.gz RHVXWNVWDWCRAY-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000246897457 432178211 /nfs/dbraw/zinc/17/82/11/432178211.db2.gz RHVXWNVWDWCRAY-BBRMVZONSA-N 2 2 305.491 3.154 20 0 DGADLP c1ccc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000171962284 432186306 /nfs/dbraw/zinc/18/63/06/432186306.db2.gz WJKHSAYRJRIYRA-IBGZPJMESA-N 2 2 324.468 3.384 20 0 DGADLP c1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000171962284 432186310 /nfs/dbraw/zinc/18/63/10/432186310.db2.gz WJKHSAYRJRIYRA-IBGZPJMESA-N 2 2 324.468 3.384 20 0 DGADLP Cc1ccncc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269622384 432190159 /nfs/dbraw/zinc/19/01/59/432190159.db2.gz IRGZAOMDEHWLPO-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccncc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269622384 432190162 /nfs/dbraw/zinc/19/01/62/432190162.db2.gz IRGZAOMDEHWLPO-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000150875594 432198916 /nfs/dbraw/zinc/19/89/16/432198916.db2.gz LOHQGWYULNZZIE-SJLPKXTDSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1cc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000150875594 432198920 /nfs/dbraw/zinc/19/89/20/432198920.db2.gz LOHQGWYULNZZIE-SJLPKXTDSA-N 2 2 310.445 3.274 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000150898887 432199936 /nfs/dbraw/zinc/19/99/36/432199936.db2.gz IRMKXPBKRSSQSU-XHSDSOJGSA-N 2 2 308.491 3.290 20 0 DGADLP CCC(CC)n1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269678157 432197840 /nfs/dbraw/zinc/19/78/40/432197840.db2.gz YZTCDFHRIWMCFA-CQSZACIVSA-N 2 2 301.438 3.347 20 0 DGADLP CCC(CC)n1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269678157 432197844 /nfs/dbraw/zinc/19/78/44/432197844.db2.gz YZTCDFHRIWMCFA-CQSZACIVSA-N 2 2 301.438 3.347 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC[N@@H+](C4CCCC4)CC3)cn2c1 ZINC000172435111 432214816 /nfs/dbraw/zinc/21/48/16/432214816.db2.gz RQJRAEHTMTYUBS-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC[N@H+](C4CCCC4)CC3)cn2c1 ZINC000172435111 432214819 /nfs/dbraw/zinc/21/48/19/432214819.db2.gz RQJRAEHTMTYUBS-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000190956884 432206081 /nfs/dbraw/zinc/20/60/81/432206081.db2.gz DCWZGCZWJQDXIN-LBPRGKRZSA-N 2 2 315.255 3.252 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000190956884 432206084 /nfs/dbraw/zinc/20/60/84/432206084.db2.gz DCWZGCZWJQDXIN-LBPRGKRZSA-N 2 2 315.255 3.252 20 0 DGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000182774416 432227516 /nfs/dbraw/zinc/22/75/16/432227516.db2.gz FUOIHEFGGSGCGE-INIZCTEOSA-N 2 2 301.434 3.235 20 0 DGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000182774416 432227521 /nfs/dbraw/zinc/22/75/21/432227521.db2.gz FUOIHEFGGSGCGE-INIZCTEOSA-N 2 2 301.434 3.235 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000247321771 432221530 /nfs/dbraw/zinc/22/15/30/432221530.db2.gz SMAOTVPDWPRKCC-LSDHHAIUSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000247321771 432221532 /nfs/dbraw/zinc/22/15/32/432221532.db2.gz SMAOTVPDWPRKCC-LSDHHAIUSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000247321771 432221534 /nfs/dbraw/zinc/22/15/34/432221534.db2.gz SMAOTVPDWPRKCC-LSDHHAIUSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1oc([C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000247321771 432221538 /nfs/dbraw/zinc/22/15/38/432221538.db2.gz SMAOTVPDWPRKCC-LSDHHAIUSA-N 2 2 322.449 3.242 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCOc4c(F)cccc43)n2c1 ZINC000191128461 432223466 /nfs/dbraw/zinc/22/34/66/432223466.db2.gz YGFYZHBEMGYTCJ-INIZCTEOSA-N 2 2 311.360 3.395 20 0 DGADLP c1ccc(NCCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000132138506 196229850 /nfs/dbraw/zinc/22/98/50/196229850.db2.gz ZXZSPSLPJDHFQI-UHFFFAOYSA-N 2 2 324.472 3.138 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132579470 196267425 /nfs/dbraw/zinc/26/74/25/196267425.db2.gz MFNQEJAGXWVVNH-XJKSGUPXSA-N 2 2 319.499 3.372 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885785 287355367 /nfs/dbraw/zinc/35/53/67/287355367.db2.gz VJDHCYUBBYXENI-MBOZVWFJSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885785 287355369 /nfs/dbraw/zinc/35/53/69/287355369.db2.gz VJDHCYUBBYXENI-MBOZVWFJSA-N 3 2 315.505 3.006 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C ZINC000682615610 549343355 /nfs/dbraw/zinc/34/33/55/549343355.db2.gz ILQKCIZCJHMOTB-GOSISDBHSA-N 2 2 323.444 3.135 20 0 DGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000120724897 545889115 /nfs/dbraw/zinc/88/91/15/545889115.db2.gz NHRVMJKKQSWBCX-UHFFFAOYSA-N 3 2 307.526 3.105 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)c1C ZINC000291260159 222265683 /nfs/dbraw/zinc/26/56/83/222265683.db2.gz SEVZDJKZXQHBGH-GOSISDBHSA-N 2 2 324.428 3.054 20 0 DGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)c1C ZINC000291260159 222265686 /nfs/dbraw/zinc/26/56/86/222265686.db2.gz SEVZDJKZXQHBGH-GOSISDBHSA-N 2 2 324.428 3.054 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000178807121 228347015 /nfs/dbraw/zinc/34/70/15/228347015.db2.gz JDVAVOKVWJHZIX-UHFFFAOYSA-N 2 2 307.401 3.049 20 0 DGADLP C[NH+](C)CC1(CNc2cc(N3CCCCC3)nc[nH+]2)CCCC1 ZINC000302156663 230130213 /nfs/dbraw/zinc/13/02/13/230130213.db2.gz NDJHHWFDRUFFEF-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP C[NH+](C)CC1(CNc2cc(N3CCCCC3)[nH+]cn2)CCCC1 ZINC000302156663 230130216 /nfs/dbraw/zinc/13/02/16/230130216.db2.gz NDJHHWFDRUFFEF-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000302177996 230145166 /nfs/dbraw/zinc/14/51/66/230145166.db2.gz PCUJIOXXYKLLLC-UGSOOPFHSA-N 2 2 310.445 3.334 20 0 DGADLP Cc1nc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000302177996 230145170 /nfs/dbraw/zinc/14/51/70/230145170.db2.gz PCUJIOXXYKLLLC-UGSOOPFHSA-N 2 2 310.445 3.334 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000346639153 264070511 /nfs/dbraw/zinc/07/05/11/264070511.db2.gz IAMKUQJACKGFNM-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000346639153 264070514 /nfs/dbraw/zinc/07/05/14/264070514.db2.gz IAMKUQJACKGFNM-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000346639153 264070516 /nfs/dbraw/zinc/07/05/16/264070516.db2.gz IAMKUQJACKGFNM-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000346639153 264070518 /nfs/dbraw/zinc/07/05/18/264070518.db2.gz IAMKUQJACKGFNM-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346656574 264074014 /nfs/dbraw/zinc/07/40/14/264074014.db2.gz GMBMBMDQNIWAHJ-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346656574 264074016 /nfs/dbraw/zinc/07/40/16/264074016.db2.gz GMBMBMDQNIWAHJ-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346696458 264081241 /nfs/dbraw/zinc/08/12/41/264081241.db2.gz QCGDTQDMFFSDAK-HLIPFELVSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346696458 264081243 /nfs/dbraw/zinc/08/12/43/264081243.db2.gz QCGDTQDMFFSDAK-HLIPFELVSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346823046 264103695 /nfs/dbraw/zinc/10/36/95/264103695.db2.gz JYCRDLJAEDLCRX-CVEARBPZSA-N 2 2 321.896 3.018 20 0 DGADLP C[C@H](c1ccccc1Cl)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346823046 264103696 /nfs/dbraw/zinc/10/36/96/264103696.db2.gz JYCRDLJAEDLCRX-CVEARBPZSA-N 2 2 321.896 3.018 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)cs2)[C@@H](C[NH3+])C1 ZINC000346826695 264104899 /nfs/dbraw/zinc/10/48/99/264104899.db2.gz MBKHIHWFHINVCQ-SJORKVTESA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)[C@@H](C[NH3+])C1 ZINC000346826695 264104900 /nfs/dbraw/zinc/10/49/00/264104900.db2.gz MBKHIHWFHINVCQ-SJORKVTESA-N 2 2 316.470 3.353 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000346825943 264104976 /nfs/dbraw/zinc/10/49/76/264104976.db2.gz HCTIMCWQYJGKBT-DRCTWCGVSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000346825943 264104978 /nfs/dbraw/zinc/10/49/78/264104978.db2.gz HCTIMCWQYJGKBT-DRCTWCGVSA-N 2 2 315.244 3.171 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)[C@@H](C[NH3+])C1 ZINC000346843611 264107331 /nfs/dbraw/zinc/10/73/31/264107331.db2.gz IRQXHHVAMYNNFX-ZIAGYGMSSA-N 2 2 318.392 3.024 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)[C@@H](C[NH3+])C1 ZINC000346843611 264107334 /nfs/dbraw/zinc/10/73/34/264107334.db2.gz IRQXHHVAMYNNFX-ZIAGYGMSSA-N 2 2 318.392 3.024 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@@H]1C[NH3+] ZINC000347005074 264138433 /nfs/dbraw/zinc/13/84/33/264138433.db2.gz AXPMINRXVXZECH-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@@H]1C[NH3+] ZINC000347005074 264138434 /nfs/dbraw/zinc/13/84/34/264138434.db2.gz AXPMINRXVXZECH-CZUORRHYSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041370 264146103 /nfs/dbraw/zinc/14/61/03/264146103.db2.gz KSXRSPYDUGOFGA-DOMZBBRYSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041370 264146105 /nfs/dbraw/zinc/14/61/05/264146105.db2.gz KSXRSPYDUGOFGA-DOMZBBRYSA-N 2 2 316.367 3.329 20 0 DGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1OCC ZINC000347053272 264148291 /nfs/dbraw/zinc/14/82/91/264148291.db2.gz SBDJBKREUIDKRL-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000347097332 264155546 /nfs/dbraw/zinc/15/55/46/264155546.db2.gz IFBSEQYJJSAGAI-SKDRFNHKSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000347097332 264155547 /nfs/dbraw/zinc/15/55/47/264155547.db2.gz IFBSEQYJJSAGAI-SKDRFNHKSA-N 2 2 304.768 3.111 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)sc1Br ZINC000347100635 264156491 /nfs/dbraw/zinc/15/64/91/264156491.db2.gz JZOREGHBDLYFBJ-GHMZBOCLSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)sc1Br ZINC000347100635 264156490 /nfs/dbraw/zinc/15/64/90/264156490.db2.gz JZOREGHBDLYFBJ-GHMZBOCLSA-N 2 2 317.296 3.378 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000347109528 264158229 /nfs/dbraw/zinc/15/82/29/264158229.db2.gz NNRNCGRYNDDMEU-NHYWBVRUSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000347109528 264158230 /nfs/dbraw/zinc/15/82/30/264158230.db2.gz NNRNCGRYNDDMEU-NHYWBVRUSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145889 264164409 /nfs/dbraw/zinc/16/44/09/264164409.db2.gz YNGYEZFXGQEZJI-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347145889 264164412 /nfs/dbraw/zinc/16/44/12/264164412.db2.gz YNGYEZFXGQEZJI-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1(C)CC1 ZINC000347266640 264186718 /nfs/dbraw/zinc/18/67/18/264186718.db2.gz ZBSMXCCQBJOCAR-AWEZNQCLSA-N 2 2 302.466 3.213 20 0 DGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000347436117 264220143 /nfs/dbraw/zinc/22/01/43/264220143.db2.gz JDXSXTSQIHGONY-KDOFPFPSSA-N 2 2 324.415 3.070 20 0 DGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000347436117 264220146 /nfs/dbraw/zinc/22/01/46/264220146.db2.gz JDXSXTSQIHGONY-KDOFPFPSSA-N 2 2 324.415 3.070 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347436115 264220315 /nfs/dbraw/zinc/22/03/15/264220315.db2.gz JDXSXTSQIHGONY-KBXCAEBGSA-N 2 2 324.415 3.070 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347436115 264220316 /nfs/dbraw/zinc/22/03/16/264220316.db2.gz JDXSXTSQIHGONY-KBXCAEBGSA-N 2 2 324.415 3.070 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCc2ccccc2)s1 ZINC000347578061 264245469 /nfs/dbraw/zinc/24/54/69/264245469.db2.gz CVDXBWRTOYMFGQ-UHFFFAOYSA-N 2 2 303.475 3.269 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCc2ccccc2)s1 ZINC000347578061 264245471 /nfs/dbraw/zinc/24/54/71/264245471.db2.gz CVDXBWRTOYMFGQ-UHFFFAOYSA-N 2 2 303.475 3.269 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4occc4c3)CC2)c1 ZINC000347799832 264287404 /nfs/dbraw/zinc/28/74/04/264287404.db2.gz BRPMUOWBGGDWEZ-UHFFFAOYSA-N 2 2 323.396 3.159 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000347822835 264290162 /nfs/dbraw/zinc/29/01/62/264290162.db2.gz UPWIMVPTVTZBMG-CQSZACIVSA-N 2 2 303.475 3.440 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000347822835 264290164 /nfs/dbraw/zinc/29/01/64/264290164.db2.gz UPWIMVPTVTZBMG-CQSZACIVSA-N 2 2 303.475 3.440 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)s1 ZINC000347877068 264300148 /nfs/dbraw/zinc/30/01/48/264300148.db2.gz YQOKEYKFQMJDHT-SFHVURJKSA-N 2 2 315.486 3.368 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)s1 ZINC000347877068 264300149 /nfs/dbraw/zinc/30/01/49/264300149.db2.gz YQOKEYKFQMJDHT-SFHVURJKSA-N 2 2 315.486 3.368 20 0 DGADLP CCSCC[C@@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347928667 264308133 /nfs/dbraw/zinc/30/81/33/264308133.db2.gz QUZPJTQEUCJFHX-GFCCVEGCSA-N 2 2 301.525 3.168 20 0 DGADLP CCSCC[C@@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347928667 264308134 /nfs/dbraw/zinc/30/81/34/264308134.db2.gz QUZPJTQEUCJFHX-GFCCVEGCSA-N 2 2 301.525 3.168 20 0 DGADLP C[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccccc1 ZINC000347929798 264308755 /nfs/dbraw/zinc/30/87/55/264308755.db2.gz SGDRGGHUUHDAGI-SUMWQHHRSA-N 2 2 301.459 3.398 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccccc1 ZINC000347929798 264308757 /nfs/dbraw/zinc/30/87/57/264308757.db2.gz SGDRGGHUUHDAGI-SUMWQHHRSA-N 2 2 301.459 3.398 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000348323074 264389606 /nfs/dbraw/zinc/38/96/06/264389606.db2.gz CWJVCQIBTXPTJN-WDEREUQCSA-N 2 2 317.246 3.059 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348360629 264397087 /nfs/dbraw/zinc/39/70/87/264397087.db2.gz QKUIRBACAAGIPE-LJQANCHMSA-N 2 2 318.461 3.234 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348360629 264397088 /nfs/dbraw/zinc/39/70/88/264397088.db2.gz QKUIRBACAAGIPE-LJQANCHMSA-N 2 2 318.461 3.234 20 0 DGADLP CC[C@H]1CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000348375001 264399079 /nfs/dbraw/zinc/39/90/79/264399079.db2.gz GWMMSUYODKMGJV-YOEHRIQHSA-N 2 2 302.466 3.213 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])co2)cc1 ZINC000352504700 265072245 /nfs/dbraw/zinc/07/22/45/265072245.db2.gz TYBGBQNGQBOUMX-MRXNPFEDSA-N 2 2 315.417 3.054 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])co2)cc1 ZINC000352504700 265072248 /nfs/dbraw/zinc/07/22/48/265072248.db2.gz TYBGBQNGQBOUMX-MRXNPFEDSA-N 2 2 315.417 3.054 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000352525194 265078808 /nfs/dbraw/zinc/07/88/08/265078808.db2.gz FLXQDEWBFIDCQJ-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000352525194 265078810 /nfs/dbraw/zinc/07/88/10/265078810.db2.gz FLXQDEWBFIDCQJ-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC000352544634 265083698 /nfs/dbraw/zinc/08/36/98/265083698.db2.gz BSXWIDBYOFPHLW-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC(C)C ZINC000352544634 265083700 /nfs/dbraw/zinc/08/37/00/265083700.db2.gz BSXWIDBYOFPHLW-LJQANCHMSA-N 2 2 318.461 3.058 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000352757944 265154189 /nfs/dbraw/zinc/15/41/89/265154189.db2.gz WGJRYAZVSURXQZ-UHFFFAOYSA-N 2 2 308.466 3.302 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2nccc3ccccc32)s1 ZINC000352766317 265158396 /nfs/dbraw/zinc/15/83/96/265158396.db2.gz WCUSQNWOLDBPIM-UHFFFAOYSA-N 2 2 312.442 3.043 20 0 DGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352781055 265164321 /nfs/dbraw/zinc/16/43/21/265164321.db2.gz RVXZTXLTHIBUND-MRXNPFEDSA-N 2 2 301.459 3.290 20 0 DGADLP CCc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000352781707 265164445 /nfs/dbraw/zinc/16/44/45/265164445.db2.gz UGSWXWBAPIENIC-UHFFFAOYSA-N 2 2 320.440 3.221 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000352822233 265183711 /nfs/dbraw/zinc/18/37/11/265183711.db2.gz DZIQMAAVNCZVPO-CYBMUJFWSA-N 2 2 319.836 3.234 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000352822233 265183713 /nfs/dbraw/zinc/18/37/13/265183713.db2.gz DZIQMAAVNCZVPO-CYBMUJFWSA-N 2 2 319.836 3.234 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851547 265198015 /nfs/dbraw/zinc/19/80/15/265198015.db2.gz ZNQWWPXAZQNICP-TVQRCGJNSA-N 2 2 304.381 3.339 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851547 265198017 /nfs/dbraw/zinc/19/80/17/265198017.db2.gz ZNQWWPXAZQNICP-TVQRCGJNSA-N 2 2 304.381 3.339 20 0 DGADLP COc1cccc(C2(C[NH2+]Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000352949222 265242617 /nfs/dbraw/zinc/24/26/17/265242617.db2.gz RPMDEESKCKNNQR-UHFFFAOYSA-N 2 2 307.397 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023980 265269677 /nfs/dbraw/zinc/26/96/77/265269677.db2.gz GSFVZVRSIUUYGJ-CQSZACIVSA-N 2 2 321.371 3.242 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023980 265269680 /nfs/dbraw/zinc/26/96/80/265269680.db2.gz GSFVZVRSIUUYGJ-CQSZACIVSA-N 2 2 321.371 3.242 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2oc3ccccc3c2OC)CC1 ZINC000353270572 265370288 /nfs/dbraw/zinc/37/02/88/265370288.db2.gz KKHXMBFPZYUAKP-UHFFFAOYSA-N 2 2 302.418 3.405 20 0 DGADLP CC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000353281766 265372977 /nfs/dbraw/zinc/37/29/77/265372977.db2.gz KYYXGEUVDVUTIM-INIZCTEOSA-N 2 2 321.428 3.059 20 0 DGADLP CC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000353281766 265372979 /nfs/dbraw/zinc/37/29/79/265372979.db2.gz KYYXGEUVDVUTIM-INIZCTEOSA-N 2 2 321.428 3.059 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000353285340 265374552 /nfs/dbraw/zinc/37/45/52/265374552.db2.gz HZYUVXSGHMFPOT-UHFFFAOYSA-N 2 2 317.820 3.066 20 0 DGADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000353353335 265399869 /nfs/dbraw/zinc/39/98/69/265399869.db2.gz MKEBRCGJMXLHKO-UHFFFAOYSA-N 2 2 324.468 3.242 20 0 DGADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000353353335 265399874 /nfs/dbraw/zinc/39/98/74/265399874.db2.gz MKEBRCGJMXLHKO-UHFFFAOYSA-N 2 2 324.468 3.242 20 0 DGADLP COc1c(C)[nH+]c(C2CC2)nc1NCCCCn1cc[nH+]c1C ZINC000517040988 424821377 /nfs/dbraw/zinc/82/13/77/424821377.db2.gz AJBDZXLYMVCUHZ-UHFFFAOYSA-N 2 2 315.421 3.068 20 0 DGADLP Cc1ccc(CCC[NH2+]CC2(CO)CC(c3ccccc3)C2)c[nH+]1 ZINC000355124685 265973803 /nfs/dbraw/zinc/97/38/03/265973803.db2.gz PAAPEFLQFHZIIP-UHFFFAOYSA-N 2 2 324.468 3.469 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000356274917 266339883 /nfs/dbraw/zinc/33/98/83/266339883.db2.gz SBLJVKPYNDECMC-PBHICJAKSA-N 2 2 302.437 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000356274917 266339887 /nfs/dbraw/zinc/33/98/87/266339887.db2.gz SBLJVKPYNDECMC-PBHICJAKSA-N 2 2 302.437 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000356274924 266340461 /nfs/dbraw/zinc/34/04/61/266340461.db2.gz SBLJVKPYNDECMC-RHSMWYFYSA-N 2 2 302.437 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000356274924 266340464 /nfs/dbraw/zinc/34/04/64/266340464.db2.gz SBLJVKPYNDECMC-RHSMWYFYSA-N 2 2 302.437 3.363 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000270349840 432235536 /nfs/dbraw/zinc/23/55/36/432235536.db2.gz PQVMOFRHQRGXKZ-KRWDZBQOSA-N 2 2 306.413 3.404 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000270349840 432235539 /nfs/dbraw/zinc/23/55/39/432235539.db2.gz PQVMOFRHQRGXKZ-KRWDZBQOSA-N 2 2 306.413 3.404 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182970368 432246346 /nfs/dbraw/zinc/24/63/46/432246346.db2.gz OHFUXTWYCKPYFJ-QGZVFWFLSA-N 2 2 315.436 3.447 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182970368 432246341 /nfs/dbraw/zinc/24/63/41/432246341.db2.gz OHFUXTWYCKPYFJ-QGZVFWFLSA-N 2 2 315.436 3.447 20 0 DGADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000270469919 432248819 /nfs/dbraw/zinc/24/88/19/432248819.db2.gz NBCBVGDESGMEDB-LJQANCHMSA-N 3 2 324.472 3.036 20 0 DGADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000270469919 432248825 /nfs/dbraw/zinc/24/88/25/432248825.db2.gz NBCBVGDESGMEDB-LJQANCHMSA-N 3 2 324.472 3.036 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000359908186 271016772 /nfs/dbraw/zinc/01/67/72/271016772.db2.gz XNXLJLFBPSZDNA-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000359908186 271016776 /nfs/dbraw/zinc/01/67/76/271016776.db2.gz XNXLJLFBPSZDNA-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000359908186 271016781 /nfs/dbraw/zinc/01/67/81/271016781.db2.gz XNXLJLFBPSZDNA-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000359908186 271016784 /nfs/dbraw/zinc/01/67/84/271016784.db2.gz XNXLJLFBPSZDNA-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000367675718 271061680 /nfs/dbraw/zinc/06/16/80/271061680.db2.gz ZPTAYNPDFLJJFW-GNBUJSLZSA-N 2 2 316.489 3.210 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000367675718 271061683 /nfs/dbraw/zinc/06/16/83/271061683.db2.gz ZPTAYNPDFLJJFW-GNBUJSLZSA-N 2 2 316.489 3.210 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000367701055 271065706 /nfs/dbraw/zinc/06/57/06/271065706.db2.gz JZDRXPFUCWVWHI-LBPRGKRZSA-N 2 2 304.463 3.164 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000367701055 271065711 /nfs/dbraw/zinc/06/57/11/271065711.db2.gz JZDRXPFUCWVWHI-LBPRGKRZSA-N 2 2 304.463 3.164 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000369035082 271234269 /nfs/dbraw/zinc/23/42/69/271234269.db2.gz CSWHMAHBWJNCDU-LPHOPBHVSA-N 2 2 320.440 3.259 20 0 DGADLP Clc1ccsc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000369327809 271264003 /nfs/dbraw/zinc/26/40/03/271264003.db2.gz WLDRUZSGBBRBQC-UHFFFAOYSA-N 2 2 304.806 3.272 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369349539 271267302 /nfs/dbraw/zinc/26/73/02/271267302.db2.gz ZLCGYVXEQXRDPO-MAUKXSAKSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369349539 271267306 /nfs/dbraw/zinc/26/73/06/271267306.db2.gz ZLCGYVXEQXRDPO-MAUKXSAKSA-N 2 2 321.896 3.113 20 0 DGADLP Clc1cccnc1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000369361218 271268609 /nfs/dbraw/zinc/26/86/09/271268609.db2.gz AVOYPXCKWIVOGI-UHFFFAOYSA-N 2 2 304.825 3.201 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000370388284 271356384 /nfs/dbraw/zinc/35/63/84/271356384.db2.gz SOLZREMYRZLFCI-QFBILLFUSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000370388284 271356386 /nfs/dbraw/zinc/35/63/86/271356386.db2.gz SOLZREMYRZLFCI-QFBILLFUSA-N 2 2 320.440 3.087 20 0 DGADLP Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553648 273475935 /nfs/dbraw/zinc/47/59/35/273475935.db2.gz KOXHZBHFDBIEDF-XHDPSFHLSA-N 2 2 309.251 3.168 20 0 DGADLP CCc1nc2ccccc2n1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000093301982 273775431 /nfs/dbraw/zinc/77/54/31/273775431.db2.gz DUNHDMVHOUFBRE-UHFFFAOYSA-N 2 2 323.444 3.132 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1csc(Br)c1 ZINC000270551494 432257624 /nfs/dbraw/zinc/25/76/24/432257624.db2.gz BFMYATKUIZPLSH-UHFFFAOYSA-N 2 2 314.252 3.148 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1csc(Br)c1 ZINC000270551494 432257628 /nfs/dbraw/zinc/25/76/28/432257628.db2.gz BFMYATKUIZPLSH-UHFFFAOYSA-N 2 2 314.252 3.148 20 0 DGADLP COc1cccc2c1cc[nH+]c2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000450305771 274154720 /nfs/dbraw/zinc/15/47/20/274154720.db2.gz BKHPNKOZZPVZHU-ZDUSSCGKSA-N 2 2 308.385 3.351 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000423379851 274216891 /nfs/dbraw/zinc/21/68/91/274216891.db2.gz XYGBPWKMDCUJJX-MADCSZMMSA-N 2 2 303.631 3.027 20 0 DGADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2c(Br)cccc12 ZINC000443440666 274333727 /nfs/dbraw/zinc/33/37/27/274333727.db2.gz JLNXQNBAMXZJQS-LLVKDONJSA-N 2 2 320.234 3.138 20 0 DGADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2c(Br)cccc12 ZINC000443440666 274333728 /nfs/dbraw/zinc/33/37/28/274333728.db2.gz JLNXQNBAMXZJQS-LLVKDONJSA-N 2 2 320.234 3.138 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000178145203 274356821 /nfs/dbraw/zinc/35/68/21/274356821.db2.gz DCXXZZCIIBTAAC-XLIONFOSSA-N 2 2 309.457 3.124 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000178145203 274356822 /nfs/dbraw/zinc/35/68/22/274356822.db2.gz DCXXZZCIIBTAAC-XLIONFOSSA-N 2 2 309.457 3.124 20 0 DGADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000422892193 274691730 /nfs/dbraw/zinc/69/17/30/274691730.db2.gz XRSBQEKZOCFKBI-WMZOPIPTSA-N 2 2 312.461 3.109 20 0 DGADLP [NH3+]CC[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)C(F)F ZINC000414983485 274946442 /nfs/dbraw/zinc/94/64/42/274946442.db2.gz CCFIGTDUOOOJRM-GFCCVEGCSA-N 2 2 311.203 3.498 20 0 DGADLP c1coc([C@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCCC2)c1 ZINC000267207369 275074744 /nfs/dbraw/zinc/07/47/44/275074744.db2.gz KUFQFQKNUQPODU-KRWDZBQOSA-N 2 2 308.385 3.472 20 0 DGADLP CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000422869668 275774530 /nfs/dbraw/zinc/77/45/30/275774530.db2.gz WQIZMIAKUJBNMT-MELADBBJSA-N 2 2 308.495 3.062 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420370662 276061610 /nfs/dbraw/zinc/06/16/10/276061610.db2.gz PABPLZOXCGQRJJ-LDDOYCOJSA-N 2 2 317.477 3.113 20 0 DGADLP CCn1c(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)nc2cc(F)ccc21 ZINC000435628573 276144413 /nfs/dbraw/zinc/14/44/13/276144413.db2.gz VEEVEZSMIGNXAN-HNNXBMFYSA-N 2 2 318.440 3.159 20 0 DGADLP CCn1c(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)nc2cc(F)ccc21 ZINC000435628573 276144415 /nfs/dbraw/zinc/14/44/15/276144415.db2.gz VEEVEZSMIGNXAN-HNNXBMFYSA-N 2 2 318.440 3.159 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268739723 276151518 /nfs/dbraw/zinc/15/15/18/276151518.db2.gz RQXYZUPTJIUQSC-FXAWDEMLSA-N 3 2 315.505 3.113 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268739723 276151520 /nfs/dbraw/zinc/15/15/20/276151520.db2.gz RQXYZUPTJIUQSC-FXAWDEMLSA-N 3 2 315.505 3.113 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000132956788 276395745 /nfs/dbraw/zinc/39/57/45/276395745.db2.gz ANTAEXHBIPMNRC-VQIMIIECSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000132956788 276395746 /nfs/dbraw/zinc/39/57/46/276395746.db2.gz ANTAEXHBIPMNRC-VQIMIIECSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000134067381 276585298 /nfs/dbraw/zinc/58/52/98/276585298.db2.gz BGDSMRZGTREMAN-OALUTQOASA-N 2 2 312.461 3.298 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1C(C)C ZINC000415138803 277022033 /nfs/dbraw/zinc/02/20/33/277022033.db2.gz VSPYWTQSLOPJCB-UHFFFAOYSA-N 2 2 300.450 3.037 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1C(C)C ZINC000415138803 277022035 /nfs/dbraw/zinc/02/20/35/277022035.db2.gz VSPYWTQSLOPJCB-UHFFFAOYSA-N 2 2 300.450 3.037 20 0 DGADLP C[NH+]1CCC([C@H]2CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)CC1 ZINC000270244145 277034688 /nfs/dbraw/zinc/03/46/88/277034688.db2.gz XDGUEHLABRMVJW-ZDUSSCGKSA-N 2 2 313.367 3.269 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346924 277060259 /nfs/dbraw/zinc/06/02/59/277060259.db2.gz XXFGHBXSFQZWCK-HUUCEWRRSA-N 2 2 306.475 3.270 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346924 277060260 /nfs/dbraw/zinc/06/02/60/277060260.db2.gz XXFGHBXSFQZWCK-HUUCEWRRSA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346924 277060261 /nfs/dbraw/zinc/06/02/61/277060261.db2.gz XXFGHBXSFQZWCK-HUUCEWRRSA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346924 277060262 /nfs/dbraw/zinc/06/02/62/277060262.db2.gz XXFGHBXSFQZWCK-HUUCEWRRSA-N 2 2 306.475 3.270 20 0 DGADLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@@H]2C1 ZINC000486642540 277147016 /nfs/dbraw/zinc/14/70/16/277147016.db2.gz FJGDKTBZUFHAHM-SJKOYZFVSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@@H]2C1 ZINC000486642540 277147019 /nfs/dbraw/zinc/14/70/19/277147019.db2.gz FJGDKTBZUFHAHM-SJKOYZFVSA-N 2 2 301.821 3.419 20 0 DGADLP CC(C)(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc2ccccc2o1 ZINC000423578651 277253204 /nfs/dbraw/zinc/25/32/04/277253204.db2.gz USGNCPWCADXDCL-RHSMWYFYSA-N 2 2 302.418 3.098 20 0 DGADLP C[NH2+]CC[N@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000435374513 277270640 /nfs/dbraw/zinc/27/06/40/277270640.db2.gz XPMXWCKDEBSQCZ-UHFFFAOYSA-N 2 2 314.429 3.022 20 0 DGADLP C[NH2+]CC[N@@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000435374513 277270641 /nfs/dbraw/zinc/27/06/41/277270641.db2.gz XPMXWCKDEBSQCZ-UHFFFAOYSA-N 2 2 314.429 3.022 20 0 DGADLP CC(C)(C[NH2+]C[C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000278407237 277302657 /nfs/dbraw/zinc/30/26/57/277302657.db2.gz OPAHQCJPNYGRGI-HNNXBMFYSA-N 2 2 304.503 3.166 20 0 DGADLP CC(C)(C[NH2+]C[C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000278407237 277302658 /nfs/dbraw/zinc/30/26/58/277302658.db2.gz OPAHQCJPNYGRGI-HNNXBMFYSA-N 2 2 304.503 3.166 20 0 DGADLP CCc1cc(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)nc[nH+]1 ZINC000603389940 430548187 /nfs/dbraw/zinc/54/81/87/430548187.db2.gz QYVGGEWGVHJSET-OAHLLOKOSA-N 2 2 300.406 3.189 20 0 DGADLP COc1cccc2c1CC[N@H+](Cc1c[nH+]c3cccc(C)n13)CC2 ZINC000426566989 278029358 /nfs/dbraw/zinc/02/93/58/278029358.db2.gz UWHAJFQNKIRARP-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1cccc2c1CC[N@@H+](Cc1c[nH+]c3cccc(C)n13)CC2 ZINC000426566989 278029360 /nfs/dbraw/zinc/02/93/60/278029360.db2.gz UWHAJFQNKIRARP-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000414851026 278049933 /nfs/dbraw/zinc/04/99/33/278049933.db2.gz STOFUGXNZHVTOK-NCXUSEDFSA-N 2 2 314.473 3.357 20 0 DGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000297681409 278060539 /nfs/dbraw/zinc/06/05/39/278060539.db2.gz PGNPPGKXUNMFAY-QAPCUYQASA-N 2 2 313.445 3.444 20 0 DGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000297681409 278060542 /nfs/dbraw/zinc/06/05/42/278060542.db2.gz PGNPPGKXUNMFAY-QAPCUYQASA-N 2 2 313.445 3.444 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000425390965 278139838 /nfs/dbraw/zinc/13/98/38/278139838.db2.gz ZGLSQHBTGLMJMR-KRWDZBQOSA-N 2 2 310.445 3.449 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000425390965 278139839 /nfs/dbraw/zinc/13/98/39/278139839.db2.gz ZGLSQHBTGLMJMR-KRWDZBQOSA-N 2 2 310.445 3.449 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000422761113 278218473 /nfs/dbraw/zinc/21/84/73/278218473.db2.gz MNUIKSGWIKYDTF-WOPDTQHZSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000423160894 278311697 /nfs/dbraw/zinc/31/16/97/278311697.db2.gz RELHASVLEMGAAE-OHDICMOHSA-N 2 2 310.441 3.447 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423448695 288064673 /nfs/dbraw/zinc/06/46/73/288064673.db2.gz VJSVBYPLLQGFHH-YESZJQIVSA-N 2 2 317.477 3.381 20 0 DGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000262599560 278907565 /nfs/dbraw/zinc/90/75/65/278907565.db2.gz YBMMLIRXYAKIAO-GOSISDBHSA-N 2 2 316.449 3.327 20 0 DGADLP CC[N@H+](CC(=O)Nc1ccccc1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435629935 279057696 /nfs/dbraw/zinc/05/76/96/279057696.db2.gz VTZGZICPOPEYMJ-MRXNPFEDSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435629935 279057697 /nfs/dbraw/zinc/05/76/97/279057697.db2.gz VTZGZICPOPEYMJ-MRXNPFEDSA-N 2 2 317.477 3.213 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420831 279122504 /nfs/dbraw/zinc/12/25/04/279122504.db2.gz GMYMTBATJVESIF-QFBILLFUSA-N 3 2 307.526 3.103 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423273110 279142268 /nfs/dbraw/zinc/14/22/68/279142268.db2.gz ZVMOLLKBTRRZTA-ZYHUDNBSSA-N 2 2 304.356 3.451 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000068722551 431138673 /nfs/dbraw/zinc/13/86/73/431138673.db2.gz BULVVIFIBDAXJM-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000068722551 431138680 /nfs/dbraw/zinc/13/86/80/431138680.db2.gz BULVVIFIBDAXJM-CYBMUJFWSA-N 2 2 319.449 3.381 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000422935877 279373117 /nfs/dbraw/zinc/37/31/17/279373117.db2.gz AYFIJFLCNNHCCV-VKJFTORMSA-N 2 2 302.462 3.156 20 0 DGADLP CC(C)c1nc(NCCc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000110127175 431187833 /nfs/dbraw/zinc/18/78/33/431187833.db2.gz OHTIUOMMQSDRTB-UHFFFAOYSA-N 2 2 321.428 3.499 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000069710535 431217296 /nfs/dbraw/zinc/21/72/96/431217296.db2.gz XUQPUYPCRCGZIU-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000427872217 279522981 /nfs/dbraw/zinc/52/29/81/279522981.db2.gz JHZOGTJLEWBPEP-SMDDNHRTSA-N 2 2 320.234 3.311 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453059268 279526780 /nfs/dbraw/zinc/52/67/80/279526780.db2.gz PYSLAHGZAUZWCG-GRDNDAEWSA-N 2 2 307.401 3.425 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Br ZINC000070149618 431243552 /nfs/dbraw/zinc/24/35/52/431243552.db2.gz PFAVHNAALQZGER-ZDUSSCGKSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1Br ZINC000070149618 431243560 /nfs/dbraw/zinc/24/35/60/431243560.db2.gz PFAVHNAALQZGER-ZDUSSCGKSA-N 2 2 315.230 3.292 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)c[nH+]1 ZINC000070737502 431258731 /nfs/dbraw/zinc/25/87/31/431258731.db2.gz UBJRGBDYVJDISD-UHFFFAOYSA-N 2 2 318.424 3.195 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000427883932 279550635 /nfs/dbraw/zinc/55/06/35/279550635.db2.gz GOKNAQLUTIGCSM-RYUDHWBXSA-N 2 2 320.234 3.311 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000113512235 431351080 /nfs/dbraw/zinc/35/10/80/431351080.db2.gz MHMTVMFTJULGTI-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000113512235 431351089 /nfs/dbraw/zinc/35/10/89/431351089.db2.gz MHMTVMFTJULGTI-ZDUSSCGKSA-N 2 2 319.836 3.379 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)cs2)C1 ZINC000072858549 431353236 /nfs/dbraw/zinc/35/32/36/431353236.db2.gz RWJGMLQTDUWPMW-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)cs2)C1 ZINC000072858549 431353244 /nfs/dbraw/zinc/35/32/44/431353244.db2.gz RWJGMLQTDUWPMW-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000072858549 431353253 /nfs/dbraw/zinc/35/32/53/431353253.db2.gz RWJGMLQTDUWPMW-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000072858549 431353256 /nfs/dbraw/zinc/35/32/56/431353256.db2.gz RWJGMLQTDUWPMW-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115549461 431459985 /nfs/dbraw/zinc/45/99/85/431459985.db2.gz FKWOHLBEPLZBKU-CQSZACIVSA-N 2 2 310.869 3.180 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115549461 431459991 /nfs/dbraw/zinc/45/99/91/431459991.db2.gz FKWOHLBEPLZBKU-CQSZACIVSA-N 2 2 310.869 3.180 20 0 DGADLP COc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000075799836 431494772 /nfs/dbraw/zinc/49/47/72/431494772.db2.gz QGGMDZHSLMWPFX-UHFFFAOYSA-N 2 2 324.468 3.492 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000471582724 280032813 /nfs/dbraw/zinc/03/28/13/280032813.db2.gz QNJDWJZWCJQDBL-OQIJWPOYSA-N 2 2 304.478 3.471 20 0 DGADLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000119152811 431654078 /nfs/dbraw/zinc/65/40/78/431654078.db2.gz CABZKRFVBLHHPQ-UHFFFAOYSA-N 2 2 324.428 3.130 20 0 DGADLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000119152811 431654082 /nfs/dbraw/zinc/65/40/82/431654082.db2.gz CABZKRFVBLHHPQ-UHFFFAOYSA-N 2 2 324.428 3.130 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000077760844 431624431 /nfs/dbraw/zinc/62/44/31/431624431.db2.gz RKSDDXYDBVFJFG-INIZCTEOSA-N 2 2 318.461 3.202 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000077760844 431624437 /nfs/dbraw/zinc/62/44/37/431624437.db2.gz RKSDDXYDBVFJFG-INIZCTEOSA-N 2 2 318.461 3.202 20 0 DGADLP C[NH+](C)CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000118868140 431624951 /nfs/dbraw/zinc/62/49/51/431624951.db2.gz HTQJAVSIRFBCJU-UHFFFAOYSA-N 3 2 312.461 3.036 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000119104783 431647381 /nfs/dbraw/zinc/64/73/81/431647381.db2.gz KLUCXHAMKJMYHG-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)CCO1 ZINC000119344807 431678890 /nfs/dbraw/zinc/67/88/90/431678890.db2.gz YGNMTXVTJTWMIE-GOSISDBHSA-N 2 2 320.452 3.337 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2c(Br)cccc2C1 ZINC000120158120 431725554 /nfs/dbraw/zinc/72/55/54/431725554.db2.gz KVTJMRKOMLQBGC-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2c(Br)cccc2C1 ZINC000120158120 431725559 /nfs/dbraw/zinc/72/55/59/431725559.db2.gz KVTJMRKOMLQBGC-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000120158120 431725565 /nfs/dbraw/zinc/72/55/65/431725565.db2.gz KVTJMRKOMLQBGC-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000120158120 431725573 /nfs/dbraw/zinc/72/55/73/431725573.db2.gz KVTJMRKOMLQBGC-CQSZACIVSA-N 2 2 323.278 3.292 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000037157241 431844650 /nfs/dbraw/zinc/84/46/50/431844650.db2.gz PRHYZIZSVYQPCZ-VXGBXAGGSA-N 2 2 308.223 3.385 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037157991 431845232 /nfs/dbraw/zinc/84/52/32/431845232.db2.gz BBHKRAPXQLMZBB-NWDGAFQWSA-N 2 2 308.223 3.385 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000122842602 431846497 /nfs/dbraw/zinc/84/64/97/431846497.db2.gz IUDJJFKNHURCMI-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000122842602 431846499 /nfs/dbraw/zinc/84/64/99/431846499.db2.gz IUDJJFKNHURCMI-CJNGLKHVSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003262 431853114 /nfs/dbraw/zinc/85/31/14/431853114.db2.gz JPPOIRZJIQMYBC-ZJUUUORDSA-N 2 2 314.252 3.446 20 0 DGADLP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000123646170 431870967 /nfs/dbraw/zinc/87/09/67/431870967.db2.gz CUUFZDLVHMRXKR-GOSISDBHSA-N 2 2 324.896 3.301 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000084729066 431831991 /nfs/dbraw/zinc/83/19/91/431831991.db2.gz FROAEJWPFDUWET-UHFFFAOYSA-N 2 2 303.233 3.186 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000084729066 431831994 /nfs/dbraw/zinc/83/19/94/431831994.db2.gz FROAEJWPFDUWET-UHFFFAOYSA-N 2 2 303.233 3.186 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000124994555 431911250 /nfs/dbraw/zinc/91/12/50/431911250.db2.gz INOZJRUNSNGIBO-FAJAVTLNSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000124994555 431911253 /nfs/dbraw/zinc/91/12/53/431911253.db2.gz INOZJRUNSNGIBO-FAJAVTLNSA-N 2 2 314.473 3.054 20 0 DGADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000125233449 431918300 /nfs/dbraw/zinc/91/83/00/431918300.db2.gz HZRYSXISVBMSTM-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000125233449 431918303 /nfs/dbraw/zinc/91/83/03/431918303.db2.gz HZRYSXISVBMSTM-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000123827268 431875334 /nfs/dbraw/zinc/87/53/34/431875334.db2.gz FVJFIZQUNLUCIX-UHFFFAOYSA-N 2 2 300.368 3.410 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000123827268 431875337 /nfs/dbraw/zinc/87/53/37/431875337.db2.gz FVJFIZQUNLUCIX-UHFFFAOYSA-N 2 2 300.368 3.410 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124378192 431891635 /nfs/dbraw/zinc/89/16/35/431891635.db2.gz AGMDENWHLIIMBL-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124378192 431891636 /nfs/dbraw/zinc/89/16/36/431891636.db2.gz AGMDENWHLIIMBL-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914258 431897144 /nfs/dbraw/zinc/89/71/44/431897144.db2.gz FQZZMCGHPOUMQU-HOJAQTOUSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914258 431897146 /nfs/dbraw/zinc/89/71/46/431897146.db2.gz FQZZMCGHPOUMQU-HOJAQTOUSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000090914201 431897640 /nfs/dbraw/zinc/89/76/40/431897640.db2.gz UBQUPZIFNBUGIH-WMQCIHAUSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000090914201 431897643 /nfs/dbraw/zinc/89/76/43/431897643.db2.gz UBQUPZIFNBUGIH-WMQCIHAUSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000127377245 431970882 /nfs/dbraw/zinc/97/08/82/431970882.db2.gz KOLKEVCPMPJTCH-APWZRJJASA-N 2 2 313.445 3.352 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000127377245 431970883 /nfs/dbraw/zinc/97/08/83/431970883.db2.gz KOLKEVCPMPJTCH-APWZRJJASA-N 2 2 313.445 3.352 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1Br ZINC000054764818 431973663 /nfs/dbraw/zinc/97/36/63/431973663.db2.gz PFINYKGQGUILDY-VIFPVBQESA-N 2 2 310.195 3.032 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000125522192 431928507 /nfs/dbraw/zinc/92/85/07/431928507.db2.gz FCVKTRKBPVMCAV-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000125522192 431928509 /nfs/dbraw/zinc/92/85/09/431928509.db2.gz FCVKTRKBPVMCAV-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)C[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000125522192 431928510 /nfs/dbraw/zinc/92/85/10/431928510.db2.gz FCVKTRKBPVMCAV-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)C[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000125522192 431928513 /nfs/dbraw/zinc/92/85/13/431928513.db2.gz FCVKTRKBPVMCAV-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP CC(C)[NH+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000125535970 431929563 /nfs/dbraw/zinc/92/95/63/431929563.db2.gz BYYPYHQPDQYZLJ-QGZVFWFLSA-N 2 2 300.450 3.208 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000125795263 431936006 /nfs/dbraw/zinc/93/60/06/431936006.db2.gz TWNNXTDAGDBKLM-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000125795263 431936009 /nfs/dbraw/zinc/93/60/09/431936009.db2.gz TWNNXTDAGDBKLM-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@H](C)C1 ZINC000125930203 431939042 /nfs/dbraw/zinc/93/90/42/431939042.db2.gz YSDRKPSQIXSKNN-WBMJQRKESA-N 2 2 308.853 3.095 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@H](C)C1 ZINC000125930203 431939043 /nfs/dbraw/zinc/93/90/43/431939043.db2.gz YSDRKPSQIXSKNN-WBMJQRKESA-N 2 2 308.853 3.095 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1Br ZINC000049557693 431941583 /nfs/dbraw/zinc/94/15/83/431941583.db2.gz HKMJHUYXQJJKQI-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP CCC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CC1 ZINC000051092559 431949813 /nfs/dbraw/zinc/94/98/13/431949813.db2.gz GJACOHFWVMDLBL-KRWDZBQOSA-N 2 2 315.461 3.136 20 0 DGADLP CCC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CC1 ZINC000051092559 431949814 /nfs/dbraw/zinc/94/98/14/431949814.db2.gz GJACOHFWVMDLBL-KRWDZBQOSA-N 2 2 315.461 3.136 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000126715247 431955929 /nfs/dbraw/zinc/95/59/29/431955929.db2.gz QDXLAZNSDJJISB-SNVBAGLBSA-N 2 2 315.230 3.333 20 0 DGADLP Cc1ccc([C@H](CNc2cc[nH+]cc2C)[NH+]2CCOCC2)cc1 ZINC000192514642 280988892 /nfs/dbraw/zinc/98/88/92/280988892.db2.gz UTCXZPXSDSYWDL-IBGZPJMESA-N 2 2 311.429 3.184 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000127204569 431966960 /nfs/dbraw/zinc/96/69/60/431966960.db2.gz ADXNHTPVSVQWKU-FZMZJTMJSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000127204569 431966963 /nfs/dbraw/zinc/96/69/63/431966963.db2.gz ADXNHTPVSVQWKU-FZMZJTMJSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)CC3 ZINC000493179717 281037072 /nfs/dbraw/zinc/03/70/72/281037072.db2.gz WIMNEIDGPYNWDK-ZSDSOXJFSA-N 2 2 323.484 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC3 ZINC000493179717 281037075 /nfs/dbraw/zinc/03/70/75/281037075.db2.gz WIMNEIDGPYNWDK-ZSDSOXJFSA-N 2 2 323.484 3.406 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000247706276 281251919 /nfs/dbraw/zinc/25/19/19/281251919.db2.gz YYYBBSGMYKZFNJ-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000247706276 281251920 /nfs/dbraw/zinc/25/19/20/281251920.db2.gz YYYBBSGMYKZFNJ-DLBZAZTESA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338487 281376222 /nfs/dbraw/zinc/37/62/22/281376222.db2.gz PUJRWOBZDUECTF-JKSUJKDBSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338487 281376225 /nfs/dbraw/zinc/37/62/25/281376225.db2.gz PUJRWOBZDUECTF-JKSUJKDBSA-N 2 2 312.461 3.173 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1OC ZINC000270681941 432275845 /nfs/dbraw/zinc/27/58/45/432275845.db2.gz VFLHJSAFGOGIID-INIZCTEOSA-N 2 2 315.417 3.046 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000270695183 432276399 /nfs/dbraw/zinc/27/63/99/432276399.db2.gz YXHYQLVUVVLYQH-PBHICJAKSA-N 2 2 301.459 3.370 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000270695183 432276402 /nfs/dbraw/zinc/27/64/02/432276402.db2.gz YXHYQLVUVVLYQH-PBHICJAKSA-N 2 2 301.459 3.370 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151807181 432279319 /nfs/dbraw/zinc/27/93/19/432279319.db2.gz RGKMSTHFDSTHHK-UTKZUKDTSA-N 2 2 324.468 3.065 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422099 431994026 /nfs/dbraw/zinc/99/40/26/431994026.db2.gz QFMXQBJRJISOJQ-BZPMIXESSA-N 2 2 305.447 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128422099 431994028 /nfs/dbraw/zinc/99/40/28/431994028.db2.gz QFMXQBJRJISOJQ-BZPMIXESSA-N 2 2 305.447 3.221 20 0 DGADLP CC(C)N(C)c1ccc(CNc2ccc3c(c2)C[N@@H+](C)C3)c[nH+]1 ZINC000191408197 432262564 /nfs/dbraw/zinc/26/25/64/432262564.db2.gz KMQANHSIYFLBNK-UHFFFAOYSA-N 2 2 310.445 3.484 20 0 DGADLP CC(C)N(C)c1ccc(CNc2ccc3c(c2)C[N@H+](C)C3)c[nH+]1 ZINC000191408197 432262566 /nfs/dbraw/zinc/26/25/66/432262566.db2.gz KMQANHSIYFLBNK-UHFFFAOYSA-N 2 2 310.445 3.484 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000248035815 432262725 /nfs/dbraw/zinc/26/27/25/432262725.db2.gz RQOCAEIXXBOLFM-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000248035815 432262727 /nfs/dbraw/zinc/26/27/27/432262727.db2.gz RQOCAEIXXBOLFM-HUUCEWRRSA-N 2 2 306.450 3.147 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)c1cccc(OC)c1 ZINC000248038029 432263043 /nfs/dbraw/zinc/26/30/43/432263043.db2.gz SDHHRRDWPWFWJE-HHXXYDBFSA-N 2 2 320.477 3.093 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c[nH+]1 ZINC000183187746 432267683 /nfs/dbraw/zinc/26/76/83/432267683.db2.gz PLDACKNYGVFNSN-HNNXBMFYSA-N 2 2 310.401 3.294 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c[nH+]1 ZINC000183187746 432267686 /nfs/dbraw/zinc/26/76/86/432267686.db2.gz PLDACKNYGVFNSN-HNNXBMFYSA-N 2 2 310.401 3.294 20 0 DGADLP Cc1ccc([C@H]2CSCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179542 432267828 /nfs/dbraw/zinc/26/78/28/432267828.db2.gz GWRLFUYJYXRPRV-QGZVFWFLSA-N 2 2 301.459 3.372 20 0 DGADLP Cc1ccc([C@H]2CSCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179542 432267831 /nfs/dbraw/zinc/26/78/31/432267831.db2.gz GWRLFUYJYXRPRV-QGZVFWFLSA-N 2 2 301.459 3.372 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccco2)CCOCC1)c1ccccc1 ZINC000152373473 432329375 /nfs/dbraw/zinc/32/93/75/432329375.db2.gz HSIRKZXMUPUHJW-MRXNPFEDSA-N 2 2 314.429 3.269 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000192099997 432333542 /nfs/dbraw/zinc/33/35/42/432333542.db2.gz ZMAGZGMYVUVMQY-UHFFFAOYSA-N 2 2 314.832 3.320 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000249401834 432346959 /nfs/dbraw/zinc/34/69/59/432346959.db2.gz VIDHTTDNUBVXBK-UIFIKXQLSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C1 ZINC000249401834 432346960 /nfs/dbraw/zinc/34/69/60/432346960.db2.gz VIDHTTDNUBVXBK-UIFIKXQLSA-N 2 2 324.468 3.015 20 0 DGADLP CCC[C@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838128 432307721 /nfs/dbraw/zinc/30/77/21/432307721.db2.gz OQLMBHYGOMAENF-OALUTQOASA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838128 432307723 /nfs/dbraw/zinc/30/77/23/432307723.db2.gz OQLMBHYGOMAENF-OALUTQOASA-N 2 2 304.478 3.446 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cncc(C)c2)cn1 ZINC000184289501 432376343 /nfs/dbraw/zinc/37/63/43/432376343.db2.gz UXQCWCFWWHLFFK-CQSZACIVSA-N 2 2 307.401 3.130 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000252644059 432385084 /nfs/dbraw/zinc/38/50/84/432385084.db2.gz NJKSCHWJBIDDLY-TXPKVOOTSA-N 2 2 302.462 3.071 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000252675192 432386615 /nfs/dbraw/zinc/38/66/15/432386615.db2.gz XWZMXDHMTHYUFG-RYUDHWBXSA-N 2 2 316.417 3.452 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000252675192 432386618 /nfs/dbraw/zinc/38/66/18/432386618.db2.gz XWZMXDHMTHYUFG-RYUDHWBXSA-N 2 2 316.417 3.452 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000252716091 432386877 /nfs/dbraw/zinc/38/68/77/432386877.db2.gz XOEKOGSVSHYQPM-IINYFYTJSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000252716091 432386881 /nfs/dbraw/zinc/38/68/81/432386881.db2.gz XOEKOGSVSHYQPM-IINYFYTJSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000252970157 432388837 /nfs/dbraw/zinc/38/88/37/432388837.db2.gz WSUBQJMOETYDIW-NQBHXWOUSA-N 2 2 317.260 3.411 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1=CCCOC1 ZINC000184536365 432403057 /nfs/dbraw/zinc/40/30/57/432403057.db2.gz PWQQJEQSRJRZBG-IBGZPJMESA-N 2 2 302.462 3.079 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1=CCCOC1 ZINC000184536365 432403060 /nfs/dbraw/zinc/40/30/60/432403060.db2.gz PWQQJEQSRJRZBG-IBGZPJMESA-N 2 2 302.462 3.079 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261571719 432430417 /nfs/dbraw/zinc/43/04/17/432430417.db2.gz LELPBTHIWURJAT-KYOSRNDESA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261571719 432430420 /nfs/dbraw/zinc/43/04/20/432430420.db2.gz LELPBTHIWURJAT-KYOSRNDESA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261554424 432431247 /nfs/dbraw/zinc/43/12/47/432431247.db2.gz AZHHZMJFRKNIFC-BNOWGMLFSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261554424 432431250 /nfs/dbraw/zinc/43/12/50/432431250.db2.gz AZHHZMJFRKNIFC-BNOWGMLFSA-N 2 2 309.251 3.051 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000153753323 432439429 /nfs/dbraw/zinc/43/94/29/432439429.db2.gz JNBAOYJUBLLSCF-GOSISDBHSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000153753323 432439433 /nfs/dbraw/zinc/43/94/33/432439433.db2.gz JNBAOYJUBLLSCF-GOSISDBHSA-N 2 2 313.489 3.262 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261695172 432442223 /nfs/dbraw/zinc/44/22/23/432442223.db2.gz BSLFNJJHZSRKGX-MLGOLLRUSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261695172 432442226 /nfs/dbraw/zinc/44/22/26/432442226.db2.gz BSLFNJJHZSRKGX-MLGOLLRUSA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261717807 432444285 /nfs/dbraw/zinc/44/42/85/432444285.db2.gz PWMBRXWKNOMNQO-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261717807 432444288 /nfs/dbraw/zinc/44/42/88/432444288.db2.gz PWMBRXWKNOMNQO-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)nc2ccccc12 ZINC000261719594 432444443 /nfs/dbraw/zinc/44/44/43/432444443.db2.gz PXNXZTIMVQPNNY-QGZVFWFLSA-N 2 2 303.837 3.367 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)nc2ccccc12 ZINC000261719594 432444447 /nfs/dbraw/zinc/44/44/47/432444447.db2.gz PXNXZTIMVQPNNY-QGZVFWFLSA-N 2 2 303.837 3.367 20 0 DGADLP CC1CCN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000261748040 432446674 /nfs/dbraw/zinc/44/66/74/432446674.db2.gz JLMQAQQTPCLDLO-INIZCTEOSA-N 2 2 318.465 3.063 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cncs1 ZINC000271556339 432420573 /nfs/dbraw/zinc/42/05/73/432420573.db2.gz WARRVSWYZYLXEJ-ZIAGYGMSSA-N 2 2 316.474 3.414 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@H]1[NH3+] ZINC000262106247 432473291 /nfs/dbraw/zinc/47/32/91/432473291.db2.gz WAHKZFFVQDZLKB-IFXJQAMLSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@H]1[NH3+] ZINC000262106247 432473294 /nfs/dbraw/zinc/47/32/94/432473294.db2.gz WAHKZFFVQDZLKB-IFXJQAMLSA-N 2 2 314.404 3.184 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CC3 ZINC000272277480 432475059 /nfs/dbraw/zinc/47/50/59/432475059.db2.gz MGFLPWYBNUACLD-LSDHHAIUSA-N 2 2 308.429 3.208 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCCO[C@H]3CC(C)C)c[nH+]c12 ZINC000185199388 432476663 /nfs/dbraw/zinc/47/66/63/432476663.db2.gz QJBCZEALLRRMQB-IRXDYDNUSA-N 2 2 301.434 3.326 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCCC[C@@H]3C)c2cc1C ZINC000193511896 432478886 /nfs/dbraw/zinc/47/88/86/432478886.db2.gz RDDPZRVXJLDPRR-IAOVAPTHSA-N 2 2 315.461 3.182 20 0 DGADLP CCOC(=O)C[C@](C)([NH2+]Cc1c[nH+]c2ccc(C)cn12)C(C)C ZINC000185234569 432480756 /nfs/dbraw/zinc/48/07/56/432480756.db2.gz KZMVPSOIWGADSQ-SFHVURJKSA-N 2 2 317.433 3.100 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000154223437 432482286 /nfs/dbraw/zinc/48/22/86/432482286.db2.gz BLAFPFPTKGCKJD-APWZRJJASA-N 2 2 320.477 3.237 20 0 DGADLP Clc1cccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000262395777 432483863 /nfs/dbraw/zinc/48/38/63/432483863.db2.gz BVRIIZSKSGIMDU-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000262395777 432483865 /nfs/dbraw/zinc/48/38/65/432483865.db2.gz BVRIIZSKSGIMDU-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000262391914 432484343 /nfs/dbraw/zinc/48/43/43/432484343.db2.gz BIMJYXQQLIDKBW-CVEARBPZSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000262391914 432484347 /nfs/dbraw/zinc/48/43/47/432484347.db2.gz BIMJYXQQLIDKBW-CVEARBPZSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1nc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc[nH+]1 ZINC000154300710 432490238 /nfs/dbraw/zinc/49/02/38/432490238.db2.gz DVVSUTHFGSKSSC-HNNXBMFYSA-N 2 2 302.466 3.266 20 0 DGADLP Cc1nc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc[nH+]1 ZINC000154300710 432490240 /nfs/dbraw/zinc/49/02/40/432490240.db2.gz DVVSUTHFGSKSSC-HNNXBMFYSA-N 2 2 302.466 3.266 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@](C)([NH3+])CCC)cc2[nH+]1 ZINC000262657073 432496582 /nfs/dbraw/zinc/49/65/82/432496582.db2.gz MUGOKOTZXYUUOC-QGZVFWFLSA-N 2 2 302.422 3.362 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272496768 432513009 /nfs/dbraw/zinc/51/30/09/432513009.db2.gz DEGDPYTYTAASLI-UHFFFAOYSA-N 2 2 322.321 3.471 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000272200368 432461098 /nfs/dbraw/zinc/46/10/98/432461098.db2.gz IXBDGECLKOKNLX-PKOBYXMFSA-N 2 2 322.456 3.321 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000272197133 432461192 /nfs/dbraw/zinc/46/11/92/432461192.db2.gz IJEDTWZBSOZVRG-XJKSGUPXSA-N 2 2 316.474 3.457 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC000261923321 432461995 /nfs/dbraw/zinc/46/19/95/432461995.db2.gz BWIYIBGFMOVGQH-AUUYWEPGSA-N 2 2 312.413 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC000261923321 432462000 /nfs/dbraw/zinc/46/20/00/432462000.db2.gz BWIYIBGFMOVGQH-AUUYWEPGSA-N 2 2 312.413 3.267 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261926687 432462214 /nfs/dbraw/zinc/46/22/14/432462214.db2.gz JCRWBVNUNTYODR-RBUKOAKNSA-N 2 2 310.441 3.401 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261926687 432462219 /nfs/dbraw/zinc/46/22/19/432462219.db2.gz JCRWBVNUNTYODR-RBUKOAKNSA-N 2 2 310.441 3.401 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261950772 432463439 /nfs/dbraw/zinc/46/34/39/432463439.db2.gz NXXGNLXIXLXWJV-GOSISDBHSA-N 2 2 316.395 3.390 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261950772 432463444 /nfs/dbraw/zinc/46/34/44/432463444.db2.gz NXXGNLXIXLXWJV-GOSISDBHSA-N 2 2 316.395 3.390 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261952170 432463830 /nfs/dbraw/zinc/46/38/30/432463830.db2.gz NFIMKUHLOBEQIZ-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261952170 432463832 /nfs/dbraw/zinc/46/38/32/432463832.db2.gz NFIMKUHLOBEQIZ-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018547 432464039 /nfs/dbraw/zinc/46/40/39/432464039.db2.gz KIOZIFARNIGLSH-USXIJHARSA-N 2 2 309.523 3.061 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000154018547 432464042 /nfs/dbraw/zinc/46/40/42/432464042.db2.gz KIOZIFARNIGLSH-USXIJHARSA-N 2 2 309.523 3.061 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000154016634 432465409 /nfs/dbraw/zinc/46/54/09/432465409.db2.gz XNLIIOWUOZMXQW-BDXSIMOUSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000154016634 432465411 /nfs/dbraw/zinc/46/54/11/432465411.db2.gz XNLIIOWUOZMXQW-BDXSIMOUSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000154016634 432465414 /nfs/dbraw/zinc/46/54/14/432465414.db2.gz XNLIIOWUOZMXQW-BDXSIMOUSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000154016634 432465418 /nfs/dbraw/zinc/46/54/18/432465418.db2.gz XNLIIOWUOZMXQW-BDXSIMOUSA-N 2 2 319.493 3.125 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000262026127 432469146 /nfs/dbraw/zinc/46/91/46/432469146.db2.gz YGVCYPCJFPEMTD-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000262026127 432469150 /nfs/dbraw/zinc/46/91/50/432469150.db2.gz YGVCYPCJFPEMTD-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000176748197 432549709 /nfs/dbraw/zinc/54/97/09/432549709.db2.gz FWGJJFQEQUNKRJ-QAPCUYQASA-N 2 2 320.477 3.382 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000273124644 432554997 /nfs/dbraw/zinc/55/49/97/432554997.db2.gz AHFHOJLMIGQBMG-IBGZPJMESA-N 2 2 313.420 3.384 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000154751024 432518624 /nfs/dbraw/zinc/51/86/24/432518624.db2.gz VVZBUKVATVMJRF-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000154751024 432518630 /nfs/dbraw/zinc/51/86/30/432518630.db2.gz VVZBUKVATVMJRF-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000154751024 432518635 /nfs/dbraw/zinc/51/86/35/432518635.db2.gz VVZBUKVATVMJRF-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000154751024 432518639 /nfs/dbraw/zinc/51/86/39/432518639.db2.gz VVZBUKVATVMJRF-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194224994 432533851 /nfs/dbraw/zinc/53/38/51/432533851.db2.gz IUPYDOVMCWVSGE-UHFFFAOYSA-N 2 2 312.461 3.288 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc(-c2ccccc2)c[nH]1)C[NH+]1CCCCC1 ZINC000194243870 432534725 /nfs/dbraw/zinc/53/47/25/432534725.db2.gz BGPDDMIEPFUYCL-INIZCTEOSA-N 2 2 312.461 3.288 20 0 DGADLP COC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000155100615 432538525 /nfs/dbraw/zinc/53/85/25/432538525.db2.gz UYCRNHNVJIJOAC-RXQRSOPUSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000155100615 432538527 /nfs/dbraw/zinc/53/85/27/432538527.db2.gz UYCRNHNVJIJOAC-RXQRSOPUSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1C ZINC000273063039 432545285 /nfs/dbraw/zinc/54/52/85/432545285.db2.gz LQWYZBTYJWBGIA-OAHLLOKOSA-N 2 2 322.412 3.435 20 0 DGADLP Cc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)[nH+]1 ZINC000176744885 432547980 /nfs/dbraw/zinc/54/79/80/432547980.db2.gz OZRBPYNYEMRXMZ-UHFFFAOYSA-N 2 2 304.438 3.083 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135437 432607464 /nfs/dbraw/zinc/60/74/64/432607464.db2.gz IZNIYBAJUWAOLC-ZBFHGGJFSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000195135437 432607468 /nfs/dbraw/zinc/60/74/68/432607468.db2.gz IZNIYBAJUWAOLC-ZBFHGGJFSA-N 2 2 301.459 3.316 20 0 DGADLP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155655782 432565766 /nfs/dbraw/zinc/56/57/66/432565766.db2.gz CWLLPAGLDFIKFM-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN(C)C(C)C)cc1 ZINC000155764670 432573043 /nfs/dbraw/zinc/57/30/43/432573043.db2.gz JFCOLDVBENPYJL-OAHLLOKOSA-N 2 2 300.450 3.172 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NCC[N@@H+](C)C(C)C)cc1 ZINC000155764670 432573048 /nfs/dbraw/zinc/57/30/48/432573048.db2.gz JFCOLDVBENPYJL-OAHLLOKOSA-N 2 2 300.450 3.172 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NCC[N@H+](C)C(C)C)cc1 ZINC000155764670 432573051 /nfs/dbraw/zinc/57/30/51/432573051.db2.gz JFCOLDVBENPYJL-OAHLLOKOSA-N 2 2 300.450 3.172 20 0 DGADLP C[NH+](C)Cc1cccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000155769049 432573434 /nfs/dbraw/zinc/57/34/34/432573434.db2.gz FRXZHUAKWFBQQP-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP CC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCOC1 ZINC000155895973 432580094 /nfs/dbraw/zinc/58/00/94/432580094.db2.gz ZOPQDUXAKQGLEK-CVEARBPZSA-N 2 2 301.434 3.140 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000195070463 432600479 /nfs/dbraw/zinc/60/04/79/432600479.db2.gz UURXBEACHAISAO-QAPCUYQASA-N 2 2 306.450 3.244 20 0 DGADLP C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156536587 432600823 /nfs/dbraw/zinc/60/08/23/432600823.db2.gz DIIFSDXKADHBON-YOEHRIQHSA-N 2 2 319.836 3.498 20 0 DGADLP C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156536587 432600830 /nfs/dbraw/zinc/60/08/30/432600830.db2.gz DIIFSDXKADHBON-YOEHRIQHSA-N 2 2 319.836 3.498 20 0 DGADLP CC[N@H+](CCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177258572 432604808 /nfs/dbraw/zinc/60/48/08/432604808.db2.gz XMNBKERGWAMCNS-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP CC[N@@H+](CCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177258572 432604809 /nfs/dbraw/zinc/60/48/09/432604809.db2.gz XMNBKERGWAMCNS-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H](c1ccccc1)[NH+](C)C ZINC000274407995 432664737 /nfs/dbraw/zinc/66/47/37/432664737.db2.gz HGMNXGUFRXTKTA-MGPUTAFESA-N 2 2 322.456 3.354 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000274762695 432704928 /nfs/dbraw/zinc/70/49/28/432704928.db2.gz PLMSAKNRTJRFNB-ATZDWAIDSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000274762695 432704932 /nfs/dbraw/zinc/70/49/32/432704932.db2.gz PLMSAKNRTJRFNB-ATZDWAIDSA-N 2 2 302.462 3.054 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226418944 432705993 /nfs/dbraw/zinc/70/59/93/432705993.db2.gz SIKXMKSDAAJGJI-SNVBAGLBSA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226418944 432705995 /nfs/dbraw/zinc/70/59/95/432705995.db2.gz SIKXMKSDAAJGJI-SNVBAGLBSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000188146855 432707383 /nfs/dbraw/zinc/70/73/83/432707383.db2.gz DOSISSGXSRUBIV-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000188146855 432707386 /nfs/dbraw/zinc/70/73/86/432707386.db2.gz DOSISSGXSRUBIV-IUODEOHRSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Br ZINC000275344190 432726451 /nfs/dbraw/zinc/72/64/51/432726451.db2.gz XUSTXBVXUYVPSV-SWLSCSKDSA-N 2 2 311.267 3.221 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000227535614 432711684 /nfs/dbraw/zinc/71/16/84/432711684.db2.gz LHDMFEFPJJAMMG-OWCLPIDISA-N 2 2 301.459 3.085 20 0 DGADLP CC(C)(O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000274812367 432712360 /nfs/dbraw/zinc/71/23/60/432712360.db2.gz VOJVDDUFDREBKR-UHFFFAOYSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Br ZINC000275344190 432726454 /nfs/dbraw/zinc/72/64/54/432726454.db2.gz XUSTXBVXUYVPSV-SWLSCSKDSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1Br ZINC000275344190 432726456 /nfs/dbraw/zinc/72/64/56/432726456.db2.gz XUSTXBVXUYVPSV-SWLSCSKDSA-N 2 2 311.267 3.221 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1Br ZINC000275344190 432726459 /nfs/dbraw/zinc/72/64/59/432726459.db2.gz XUSTXBVXUYVPSV-SWLSCSKDSA-N 2 2 311.267 3.221 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000228080316 432716602 /nfs/dbraw/zinc/71/66/02/432716602.db2.gz HMOVSAVVHFJLIB-ZIAGYGMSSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000228080316 432716606 /nfs/dbraw/zinc/71/66/06/432716606.db2.gz HMOVSAVVHFJLIB-ZIAGYGMSSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]cc1Br ZINC000274935626 432721326 /nfs/dbraw/zinc/72/13/26/432721326.db2.gz RXDITCRUJCWSAO-UHFFFAOYSA-N 2 2 309.211 3.241 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000222464607 432671947 /nfs/dbraw/zinc/67/19/47/432671947.db2.gz NEONGNJTLMKJNP-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CCOc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OC(F)F ZINC000265280983 432685109 /nfs/dbraw/zinc/68/51/09/432685109.db2.gz XEOMZLNIJABIDS-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP CCOc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OC(F)F ZINC000265280983 432685112 /nfs/dbraw/zinc/68/51/12/432685112.db2.gz XEOMZLNIJABIDS-UHFFFAOYSA-N 2 2 316.392 3.070 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Br ZINC000275773053 432747144 /nfs/dbraw/zinc/74/71/44/432747144.db2.gz ZEMCVEMNBBUMMO-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Br ZINC000275773053 432747146 /nfs/dbraw/zinc/74/71/46/432747146.db2.gz ZEMCVEMNBBUMMO-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1sccc1Br ZINC000275773053 432747149 /nfs/dbraw/zinc/74/71/49/432747149.db2.gz ZEMCVEMNBBUMMO-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1sccc1Br ZINC000275773053 432747151 /nfs/dbraw/zinc/74/71/51/432747151.db2.gz ZEMCVEMNBBUMMO-JQWIXIFHSA-N 2 2 317.296 3.283 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000236795967 432765754 /nfs/dbraw/zinc/76/57/54/432765754.db2.gz SXGBHSPWSGDJII-UHFFFAOYSA-N 2 2 314.477 3.410 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000178805461 432779600 /nfs/dbraw/zinc/77/96/00/432779600.db2.gz RZACOVCTKCCYOO-UHFFFAOYSA-N 2 2 307.401 3.181 20 0 DGADLP CC[NH2+]Cc1cccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000178423873 432733049 /nfs/dbraw/zinc/73/30/49/432733049.db2.gz VMOYXXWDCAJZGH-UHFFFAOYSA-N 2 2 322.412 3.093 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000265823455 432736195 /nfs/dbraw/zinc/73/61/95/432736195.db2.gz IWMGZEYOCYKKIC-OAHLLOKOSA-N 2 2 321.428 3.059 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000265823455 432736200 /nfs/dbraw/zinc/73/62/00/432736200.db2.gz IWMGZEYOCYKKIC-OAHLLOKOSA-N 2 2 321.428 3.059 20 0 DGADLP COc1cccc2c(N3CCC(n4cc[nH+]c4)CC3)cc[nH+]c12 ZINC000275642770 432736349 /nfs/dbraw/zinc/73/63/49/432736349.db2.gz VKZHZLFMUKPBFA-UHFFFAOYSA-N 2 2 308.385 3.281 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000235505827 432744153 /nfs/dbraw/zinc/74/41/53/432744153.db2.gz QVCVIQXYOFFYER-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000235505827 432744156 /nfs/dbraw/zinc/74/41/56/432744156.db2.gz QVCVIQXYOFFYER-GXSJLCMTSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000245455422 432833796 /nfs/dbraw/zinc/83/37/96/432833796.db2.gz IBNOYQDJCAFEBR-MGPQQGTHSA-N 2 2 312.404 3.115 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2Br)CC1 ZINC000277293730 432835790 /nfs/dbraw/zinc/83/57/90/432835790.db2.gz TUQQSRBVJRUSDT-CQSZACIVSA-N 2 2 311.267 3.365 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2Br)CC1 ZINC000277293730 432835792 /nfs/dbraw/zinc/83/57/92/432835792.db2.gz TUQQSRBVJRUSDT-CQSZACIVSA-N 2 2 311.267 3.365 20 0 DGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000237336069 432785497 /nfs/dbraw/zinc/78/54/97/432785497.db2.gz MAJYFJLGHNWLCR-KRWDZBQOSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000237365501 432785959 /nfs/dbraw/zinc/78/59/59/432785959.db2.gz VEQHLVYWSIZGLR-HOTGVXAUSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)Cn1cc[nH+]c1 ZINC000178992858 432793343 /nfs/dbraw/zinc/79/33/43/432793343.db2.gz RAVJQJXKHRPMIW-LLVKDONJSA-N 2 2 313.323 3.050 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000189509739 432794090 /nfs/dbraw/zinc/79/40/90/432794090.db2.gz UXWOGOHKIVNTPY-ACBHZAAOSA-N 2 2 302.462 3.369 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266906381 432796061 /nfs/dbraw/zinc/79/60/61/432796061.db2.gz HTYWPJHKOHPBPR-GFCCVEGCSA-N 2 2 305.809 3.451 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266906381 432796064 /nfs/dbraw/zinc/79/60/64/432796064.db2.gz HTYWPJHKOHPBPR-GFCCVEGCSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cnccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000189562195 432799670 /nfs/dbraw/zinc/79/96/70/432799670.db2.gz SWEXMNSOJPWRTK-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP [NH3+]C1(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CCCC1 ZINC000237903231 432804128 /nfs/dbraw/zinc/80/41/28/432804128.db2.gz FMUNULVAHQAHEV-UHFFFAOYSA-N 2 2 324.428 3.096 20 0 DGADLP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000238052475 432811227 /nfs/dbraw/zinc/81/12/27/432811227.db2.gz NRJCTXRCTQEHON-KBPBESRZSA-N 2 2 311.385 3.330 20 0 DGADLP CCOC(CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000276535876 432815578 /nfs/dbraw/zinc/81/55/78/432815578.db2.gz OFASDQWWXGTODS-OAHLLOKOSA-N 2 2 317.433 3.312 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245906048 432869229 /nfs/dbraw/zinc/86/92/29/432869229.db2.gz FICUKOYTVROGPM-FXAWDEMLSA-N 2 2 309.457 3.493 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000245906048 432869230 /nfs/dbraw/zinc/86/92/30/432869230.db2.gz FICUKOYTVROGPM-FXAWDEMLSA-N 2 2 309.457 3.493 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000296200122 432882693 /nfs/dbraw/zinc/88/26/93/432882693.db2.gz YYBAXIKBNLKZSP-BPUTZDHNSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000296200122 432882695 /nfs/dbraw/zinc/88/26/95/432882695.db2.gz YYBAXIKBNLKZSP-BPUTZDHNSA-N 2 2 305.853 3.329 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000245568771 432846215 /nfs/dbraw/zinc/84/62/15/432846215.db2.gz VVSJTXWZYJWYNB-AEFFLSMTSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(O)c2)C1 ZINC000245568771 432846218 /nfs/dbraw/zinc/84/62/18/432846218.db2.gz VVSJTXWZYJWYNB-AEFFLSMTSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000245568771 432846219 /nfs/dbraw/zinc/84/62/19/432846219.db2.gz VVSJTXWZYJWYNB-AEFFLSMTSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000245568771 432846222 /nfs/dbraw/zinc/84/62/22/432846222.db2.gz VVSJTXWZYJWYNB-AEFFLSMTSA-N 2 2 302.462 3.479 20 0 DGADLP C[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245568310 432846996 /nfs/dbraw/zinc/84/69/96/432846996.db2.gz FYASEDDCIVJKKG-CXAGYDPISA-N 2 2 305.372 3.287 20 0 DGADLP C[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245568310 432846998 /nfs/dbraw/zinc/84/69/98/432846998.db2.gz FYASEDDCIVJKKG-CXAGYDPISA-N 2 2 305.372 3.287 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163244706 432848363 /nfs/dbraw/zinc/84/83/63/432848363.db2.gz XMHQIMLFQZTAFG-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163244706 432848366 /nfs/dbraw/zinc/84/83/66/432848366.db2.gz XMHQIMLFQZTAFG-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cnccn1 ZINC000163240232 432848610 /nfs/dbraw/zinc/84/86/10/432848610.db2.gz RTQQRIKIWJJCCW-SOLBZPMBSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cnccn1 ZINC000163240232 432848611 /nfs/dbraw/zinc/84/86/11/432848611.db2.gz RTQQRIKIWJJCCW-SOLBZPMBSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277447678 432851360 /nfs/dbraw/zinc/85/13/60/432851360.db2.gz GABQARKFRFRQEN-QAPCUYQASA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277447678 432851362 /nfs/dbraw/zinc/85/13/62/432851362.db2.gz GABQARKFRFRQEN-QAPCUYQASA-N 2 2 315.461 3.010 20 0 DGADLP c1cn(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000245655333 432853229 /nfs/dbraw/zinc/85/32/29/432853229.db2.gz DHXUBDKQNVHJRT-OWZKRDHZSA-N 3 2 324.472 3.058 20 0 DGADLP c1cn(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000245655333 432853233 /nfs/dbraw/zinc/85/32/33/432853233.db2.gz DHXUBDKQNVHJRT-OWZKRDHZSA-N 3 2 324.472 3.058 20 0 DGADLP Cc1cc[nH+]cc1CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000289209210 432933407 /nfs/dbraw/zinc/93/34/07/432933407.db2.gz WGULOZUAVOCCAI-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000278789611 432900631 /nfs/dbraw/zinc/90/06/31/432900631.db2.gz QHIRRWXNXDJHDO-WFASDCNBSA-N 2 2 310.438 3.083 20 0 DGADLP COc1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278810476 432903959 /nfs/dbraw/zinc/90/39/59/432903959.db2.gz YMYSXZDFFODPOS-UHFFFAOYSA-N 2 2 312.413 3.442 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288926357 432906210 /nfs/dbraw/zinc/90/62/10/432906210.db2.gz VIAZQKASNBOXEK-YJBOKZPZSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288926357 432906212 /nfs/dbraw/zinc/90/62/12/432906212.db2.gz VIAZQKASNBOXEK-YJBOKZPZSA-N 2 2 324.428 3.175 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847448 432908277 /nfs/dbraw/zinc/90/82/77/432908277.db2.gz QBTUOGKHNLSDPI-FCHSOHFDSA-N 2 2 302.796 3.437 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000278847448 432908278 /nfs/dbraw/zinc/90/82/78/432908278.db2.gz QBTUOGKHNLSDPI-FCHSOHFDSA-N 2 2 302.796 3.437 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000278871706 432911037 /nfs/dbraw/zinc/91/10/37/432911037.db2.gz YQOXXVWWWDZBIV-OAHLLOKOSA-N 2 2 319.518 3.382 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289011505 432912993 /nfs/dbraw/zinc/91/29/93/432912993.db2.gz FRLZPCOVHUJISN-UHFFFAOYSA-N 2 2 311.429 3.202 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289011505 432912995 /nfs/dbraw/zinc/91/29/95/432912995.db2.gz FRLZPCOVHUJISN-UHFFFAOYSA-N 2 2 311.429 3.202 20 0 DGADLP CSc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)[nH+]c1 ZINC000297652794 433002209 /nfs/dbraw/zinc/00/22/09/433002209.db2.gz NJNXGIJYLQCPJS-UHFFFAOYSA-N 2 2 300.431 3.279 20 0 DGADLP Fc1cc(C[NH2+]Cc2ncc(Cl)s2)ccc1-n1cc[nH+]c1 ZINC000349561910 432976194 /nfs/dbraw/zinc/97/61/94/432976194.db2.gz CFXCNGSPJHZDIF-UHFFFAOYSA-N 2 2 322.796 3.411 20 0 DGADLP Cc1[nH]nc2ncc(C[NH2+][C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc12 ZINC000349630551 432984604 /nfs/dbraw/zinc/98/46/04/432984604.db2.gz MNQOUTJOZXBPBK-RDTXWAMCSA-N 2 2 323.444 3.047 20 0 DGADLP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)OC ZINC000290082071 432989171 /nfs/dbraw/zinc/98/91/71/432989171.db2.gz GUVPBFRLINBGDY-INIZCTEOSA-N 2 2 310.869 3.319 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686625 432992345 /nfs/dbraw/zinc/99/23/45/432992345.db2.gz WPJDRDZMEPXZMC-INMHGKMJSA-N 2 2 304.482 3.114 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686625 432992346 /nfs/dbraw/zinc/99/23/46/432992346.db2.gz WPJDRDZMEPXZMC-INMHGKMJSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1ncsc1CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289370655 432951824 /nfs/dbraw/zinc/95/18/24/432951824.db2.gz JZCUGQOZFUFGNB-UHFFFAOYSA-N 2 2 317.458 3.241 20 0 DGADLP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331947340 432963491 /nfs/dbraw/zinc/96/34/91/432963491.db2.gz QFRFOVGIEGTZOM-NSHDSACASA-N 2 2 303.410 3.031 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)C1 ZINC000349972899 433044803 /nfs/dbraw/zinc/04/48/03/433044803.db2.gz UNPDZIIFMTYSHC-GJYPPUQNSA-N 2 2 301.478 3.460 20 0 DGADLP COc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000297661068 433003909 /nfs/dbraw/zinc/00/39/09/433003909.db2.gz JOCDDNBYPYLYNW-UHFFFAOYSA-N 2 2 313.401 3.180 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766189 433014549 /nfs/dbraw/zinc/01/45/49/433014549.db2.gz OZFXKKFYIMIHKE-NZSAHSFTSA-N 2 2 324.472 3.043 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766189 433014550 /nfs/dbraw/zinc/01/45/50/433014550.db2.gz OZFXKKFYIMIHKE-NZSAHSFTSA-N 2 2 324.472 3.043 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399850 433045583 /nfs/dbraw/zinc/04/55/83/433045583.db2.gz KIBYPCVVLPXISE-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399850 433045586 /nfs/dbraw/zinc/04/55/86/433045586.db2.gz KIBYPCVVLPXISE-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399850 433045589 /nfs/dbraw/zinc/04/55/89/433045589.db2.gz KIBYPCVVLPXISE-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399850 433045593 /nfs/dbraw/zinc/04/55/93/433045593.db2.gz KIBYPCVVLPXISE-DGCLKSJQSA-N 2 2 314.260 3.305 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1C ZINC000341296629 433020589 /nfs/dbraw/zinc/02/05/89/433020589.db2.gz ZKVQMWUZQKYPKZ-SFHVURJKSA-N 2 2 323.444 3.073 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]C[C@@H]2CCSC2)c[nH+]1 ZINC000290294916 433026549 /nfs/dbraw/zinc/02/65/49/433026549.db2.gz AQTCZOSTZMKIMV-JCGIZDLHSA-N 2 2 313.470 3.454 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297753 433029558 /nfs/dbraw/zinc/02/95/58/433029558.db2.gz AYLHEDOCETXCNK-OCCSQVGLSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297753 433029562 /nfs/dbraw/zinc/02/95/62/433029562.db2.gz AYLHEDOCETXCNK-OCCSQVGLSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297753 433029565 /nfs/dbraw/zinc/02/95/65/433029565.db2.gz AYLHEDOCETXCNK-OCCSQVGLSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297753 433029569 /nfs/dbraw/zinc/02/95/69/433029569.db2.gz AYLHEDOCETXCNK-OCCSQVGLSA-N 2 2 305.447 3.175 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000280300941 433029606 /nfs/dbraw/zinc/02/96/06/433029606.db2.gz VSWZMYMWYALFRE-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000280300941 433029610 /nfs/dbraw/zinc/02/96/10/433029610.db2.gz VSWZMYMWYALFRE-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCn4ccnc43)c2)CC1 ZINC000297909203 433031802 /nfs/dbraw/zinc/03/18/02/433031802.db2.gz WNZUXLHELQRVGL-LJQANCHMSA-N 2 2 324.472 3.350 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1c[nH]c2nccnc12)c1ccccc1 ZINC000290324169 433032514 /nfs/dbraw/zinc/03/25/14/433032514.db2.gz AFWYITPKIKMEEB-CQSZACIVSA-N 2 2 323.444 3.177 20 0 DGADLP C[C@H](CC1CCCCC1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000349959787 433041054 /nfs/dbraw/zinc/04/10/54/433041054.db2.gz DSNBCCKGRIJIAW-MRXNPFEDSA-N 2 2 304.482 3.134 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1C ZINC000419703069 433068325 /nfs/dbraw/zinc/06/83/25/433068325.db2.gz CGPDRLTYSMAVRI-GDBMZVCRSA-N 2 2 316.424 3.051 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000422727793 289365463 /nfs/dbraw/zinc/36/54/63/289365463.db2.gz HXPUJRWFVFIZOQ-GUDVDZBRSA-N 2 2 313.420 3.163 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)co1 ZINC000350098360 433075657 /nfs/dbraw/zinc/07/56/57/433075657.db2.gz LSCMDTIBQHRFAF-YOEHRIQHSA-N 2 2 322.449 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000280566352 433087505 /nfs/dbraw/zinc/08/75/05/433087505.db2.gz LJGVVTUMRZAWKU-AEFFLSMTSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000280566352 433087518 /nfs/dbraw/zinc/08/75/18/433087518.db2.gz LJGVVTUMRZAWKU-AEFFLSMTSA-N 2 2 313.489 3.118 20 0 DGADLP CO[C@@H](C)c1nc(C[NH2+]CCCc2ccc(C)[nH+]c2)cs1 ZINC000354457910 433096900 /nfs/dbraw/zinc/09/69/00/433096900.db2.gz IFLMOSKESNIMJC-ZDUSSCGKSA-N 2 2 305.447 3.276 20 0 DGADLP COC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CCCC1 ZINC000446742635 433097642 /nfs/dbraw/zinc/09/76/42/433097642.db2.gz GZEVWORIIMXVFF-KRWDZBQOSA-N 2 2 301.434 3.140 20 0 DGADLP Cc1[nH+]ccc(N2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000350260157 433123510 /nfs/dbraw/zinc/12/35/10/433123510.db2.gz YOWUHOKAVLLYNJ-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP COc1ccc2[nH+]c(C)nc(NCc3ccc([C@H](C)[NH3+])cc3)c2c1 ZINC000420216410 433124901 /nfs/dbraw/zinc/12/49/01/433124901.db2.gz UAUDISTWNBBHBL-LBPRGKRZSA-N 2 2 322.412 3.001 20 0 DGADLP c1ccc(N2CCC([N@@H+]3CCC[C@@]4(CCSC4)C3)CC2)[nH+]c1 ZINC000453372268 433128946 /nfs/dbraw/zinc/12/89/46/433128946.db2.gz SDZSARZLPUYAAQ-GOSISDBHSA-N 2 2 317.502 3.270 20 0 DGADLP c1ccc(N2CCC([N@H+]3CCC[C@@]4(CCSC4)C3)CC2)[nH+]c1 ZINC000453372268 433128959 /nfs/dbraw/zinc/12/89/59/433128959.db2.gz SDZSARZLPUYAAQ-GOSISDBHSA-N 2 2 317.502 3.270 20 0 DGADLP c1ccc(N2CCC([N@@H+]3CCC[C@]4(CCSC4)C3)CC2)[nH+]c1 ZINC000453372272 433129674 /nfs/dbraw/zinc/12/96/74/433129674.db2.gz SDZSARZLPUYAAQ-SFHVURJKSA-N 2 2 317.502 3.270 20 0 DGADLP c1ccc(N2CCC([N@H+]3CCC[C@]4(CCSC4)C3)CC2)[nH+]c1 ZINC000453372272 433129690 /nfs/dbraw/zinc/12/96/90/433129690.db2.gz SDZSARZLPUYAAQ-SFHVURJKSA-N 2 2 317.502 3.270 20 0 DGADLP CC(C)c1cc(NCc2ccc3c(c2)C[NH2+]C3)nc(C(C)C)[nH+]1 ZINC000420244985 433131827 /nfs/dbraw/zinc/13/18/27/433131827.db2.gz ZLDWTGBKVOWTTA-UHFFFAOYSA-N 2 2 310.445 3.361 20 0 DGADLP c1cnc2sc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000341559956 433134383 /nfs/dbraw/zinc/13/43/83/433134383.db2.gz AAIZMDXWQYKVET-CQSZACIVSA-N 2 2 316.474 3.142 20 0 DGADLP c1cnc2sc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000341559956 433134388 /nfs/dbraw/zinc/13/43/88/433134388.db2.gz AAIZMDXWQYKVET-CQSZACIVSA-N 2 2 316.474 3.142 20 0 DGADLP CC(C)c1cc(N2CCC3(CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000420262713 433137862 /nfs/dbraw/zinc/13/78/62/433137862.db2.gz RWLZRMMKFIQPGJ-UHFFFAOYSA-N 2 2 302.466 3.303 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000373234529 433138524 /nfs/dbraw/zinc/13/85/24/433138524.db2.gz WIJFHGYSXUYFHN-MRXNPFEDSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000373234529 433138532 /nfs/dbraw/zinc/13/85/32/433138532.db2.gz WIJFHGYSXUYFHN-MRXNPFEDSA-N 2 2 321.428 3.190 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000420263949 433142300 /nfs/dbraw/zinc/14/23/00/433142300.db2.gz UGKHRIVVLCOHGW-KGLIPLIRSA-N 2 2 302.466 3.086 20 0 DGADLP C[C@H]1C[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@@H]1[NH3+] ZINC000420290953 433149504 /nfs/dbraw/zinc/14/95/04/433149504.db2.gz MSTWMMTXGOGLJC-GWCFXTLKSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]1C[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@@H]1[NH3+] ZINC000420290953 433149513 /nfs/dbraw/zinc/14/95/13/433149513.db2.gz MSTWMMTXGOGLJC-GWCFXTLKSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000361400751 433149999 /nfs/dbraw/zinc/14/99/99/433149999.db2.gz RKVAAAKOFBPCSK-MAUKXSAKSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000361400751 433150009 /nfs/dbraw/zinc/15/00/09/433150009.db2.gz RKVAAAKOFBPCSK-MAUKXSAKSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000453393858 433150356 /nfs/dbraw/zinc/15/03/56/433150356.db2.gz GNXMQFKQQFYWKV-IEBWSBKVSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000453393858 433150365 /nfs/dbraw/zinc/15/03/65/433150365.db2.gz GNXMQFKQQFYWKV-IEBWSBKVSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393858 433150372 /nfs/dbraw/zinc/15/03/72/433150372.db2.gz GNXMQFKQQFYWKV-IEBWSBKVSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393858 433150376 /nfs/dbraw/zinc/15/03/76/433150376.db2.gz GNXMQFKQQFYWKV-IEBWSBKVSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420291294 433151151 /nfs/dbraw/zinc/15/11/51/433151151.db2.gz JZXSCVBYZZJOFT-NSHDSACASA-N 2 2 323.412 3.130 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000420291294 433151155 /nfs/dbraw/zinc/15/11/55/433151155.db2.gz JZXSCVBYZZJOFT-NSHDSACASA-N 2 2 323.412 3.130 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000453395661 433153260 /nfs/dbraw/zinc/15/32/60/433153260.db2.gz HCIJOGVKSXSRTG-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000453395661 433153268 /nfs/dbraw/zinc/15/32/68/433153268.db2.gz HCIJOGVKSXSRTG-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc(C(C)(C)C)nc1)[NH+]1CCCCC1 ZINC000342785833 289490124 /nfs/dbraw/zinc/49/01/24/289490124.db2.gz WPDPGXVWFDAXKL-OAHLLOKOSA-N 2 2 304.482 3.128 20 0 DGADLP Cc1cc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341508702 433103522 /nfs/dbraw/zinc/10/35/22/433103522.db2.gz WMSDWDCBDGNEBI-GASCZTMLSA-N 2 2 316.493 3.832 20 0 DGADLP Cc1cc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341508702 433103533 /nfs/dbraw/zinc/10/35/33/433103533.db2.gz WMSDWDCBDGNEBI-GASCZTMLSA-N 2 2 316.493 3.832 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000290605198 433114371 /nfs/dbraw/zinc/11/43/71/433114371.db2.gz WEQNJCOQVQRPSH-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000290605198 433114380 /nfs/dbraw/zinc/11/43/80/433114380.db2.gz WEQNJCOQVQRPSH-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000290605198 433114389 /nfs/dbraw/zinc/11/43/89/433114389.db2.gz WEQNJCOQVQRPSH-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000290605198 433114399 /nfs/dbraw/zinc/11/43/99/433114399.db2.gz WEQNJCOQVQRPSH-FXAWDEMLSA-N 2 2 324.472 3.097 20 0 DGADLP CC(C)c1nc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(C(C)(C)C)[nH+]1 ZINC000420194069 433120439 /nfs/dbraw/zinc/12/04/39/433120439.db2.gz DKGYZXIMMNOISI-KGLIPLIRSA-N 2 2 302.466 3.228 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000425368207 433207179 /nfs/dbraw/zinc/20/71/79/433207179.db2.gz JNSLNKPHOVQEPO-QGZVFWFLSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000425368207 433207189 /nfs/dbraw/zinc/20/71/89/433207189.db2.gz JNSLNKPHOVQEPO-QGZVFWFLSA-N 2 2 312.461 3.170 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000298494295 433155994 /nfs/dbraw/zinc/15/59/94/433155994.db2.gz QCNSOCBGINCZBX-UHFFFAOYSA-N 2 2 323.444 3.201 20 0 DGADLP CC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000420318094 433160769 /nfs/dbraw/zinc/16/07/69/433160769.db2.gz VSXKYPATWFYINX-SNVBAGLBSA-N 2 2 307.385 3.126 20 0 DGADLP CC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000420318094 433160780 /nfs/dbraw/zinc/16/07/80/433160780.db2.gz VSXKYPATWFYINX-SNVBAGLBSA-N 2 2 307.385 3.126 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC000280762653 433166718 /nfs/dbraw/zinc/16/67/18/433166718.db2.gz DPSAADNCYBZIES-ZNMIVQPWSA-N 2 2 320.477 3.268 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000280762653 433166724 /nfs/dbraw/zinc/16/67/24/433166724.db2.gz DPSAADNCYBZIES-ZNMIVQPWSA-N 2 2 320.477 3.268 20 0 DGADLP CC[C@H]1c2ccsc2CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331174 433168908 /nfs/dbraw/zinc/16/89/08/433168908.db2.gz XBZIWQRRUKMAAM-AWEZNQCLSA-N 2 2 304.463 3.057 20 0 DGADLP CC[C@H]1c2ccsc2CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331174 433168917 /nfs/dbraw/zinc/16/89/17/433168917.db2.gz XBZIWQRRUKMAAM-AWEZNQCLSA-N 2 2 304.463 3.057 20 0 DGADLP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1(C[NH3+])CCC1 ZINC000420333251 433169350 /nfs/dbraw/zinc/16/93/50/433169350.db2.gz SMYDSAXMURTECY-UHFFFAOYSA-N 2 2 323.440 3.252 20 0 DGADLP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1(C[NH3+])CCC1 ZINC000420333251 433169356 /nfs/dbraw/zinc/16/93/56/433169356.db2.gz SMYDSAXMURTECY-UHFFFAOYSA-N 2 2 323.440 3.252 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc2)n1 ZINC000420338012 433170838 /nfs/dbraw/zinc/17/08/38/433170838.db2.gz NIHUHKZKFGHPIH-LIRRHRJNSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc2)n1 ZINC000420338012 433170846 /nfs/dbraw/zinc/17/08/46/433170846.db2.gz NIHUHKZKFGHPIH-LIRRHRJNSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000425337583 433171966 /nfs/dbraw/zinc/17/19/66/433171966.db2.gz NZATZLHWFYAXLC-AWEZNQCLSA-N 2 2 304.463 3.193 20 0 DGADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000425337583 433171977 /nfs/dbraw/zinc/17/19/77/433171977.db2.gz NZATZLHWFYAXLC-AWEZNQCLSA-N 2 2 304.463 3.193 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc[nH+]c3ccc(C)cc13)CCC2 ZINC000354598662 433172516 /nfs/dbraw/zinc/17/25/16/433172516.db2.gz IDRNUXBJYIKISK-OAHLLOKOSA-N 2 2 306.413 3.460 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)n1C ZINC000425334701 433173362 /nfs/dbraw/zinc/17/33/62/433173362.db2.gz HAQHMPNEALHOAO-IBGZPJMESA-N 2 2 312.461 3.083 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)n1C ZINC000425334701 433173373 /nfs/dbraw/zinc/17/33/73/433173373.db2.gz HAQHMPNEALHOAO-IBGZPJMESA-N 2 2 312.461 3.083 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)C1CCCCC1 ZINC000420354754 433175906 /nfs/dbraw/zinc/17/59/06/433175906.db2.gz BLUHTMMYDBJNJB-HNNXBMFYSA-N 2 2 305.447 3.400 20 0 DGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338854 433176907 /nfs/dbraw/zinc/17/69/07/433176907.db2.gz QHBNGMGFXFIYCR-DZGCQCFKSA-N 2 2 316.424 3.003 20 0 DGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338854 433176916 /nfs/dbraw/zinc/17/69/16/433176916.db2.gz QHBNGMGFXFIYCR-DZGCQCFKSA-N 2 2 316.424 3.003 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000420357761 433176963 /nfs/dbraw/zinc/17/69/63/433176963.db2.gz HSLLODPOBNGCLW-HNNXBMFYSA-N 2 2 319.836 3.473 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000420354937 433177156 /nfs/dbraw/zinc/17/71/56/433177156.db2.gz DPKBPKBAJPPBIQ-CQSZACIVSA-N 2 2 307.825 3.458 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cc(COC(C)(C)C)on2)c[nH+]1 ZINC000354605082 433177540 /nfs/dbraw/zinc/17/75/40/433177540.db2.gz POZHPODIHLEENR-UHFFFAOYSA-N 2 2 317.433 3.416 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420360957 433178464 /nfs/dbraw/zinc/17/84/64/433178464.db2.gz MRNWORRBFQHSGO-MRXNPFEDSA-N 2 2 323.868 3.084 20 0 DGADLP CC(C)COCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336699576 433181540 /nfs/dbraw/zinc/18/15/40/433181540.db2.gz CYQBZXRVRKFRHY-UHFFFAOYSA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)COCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000336699576 433181546 /nfs/dbraw/zinc/18/15/46/433181546.db2.gz CYQBZXRVRKFRHY-UHFFFAOYSA-N 2 2 304.478 3.255 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000336703188 433181614 /nfs/dbraw/zinc/18/16/14/433181614.db2.gz GCBUYZFVGJWIHJ-UZLBHIALSA-N 2 2 310.441 3.448 20 0 DGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000336703188 433181623 /nfs/dbraw/zinc/18/16/23/433181623.db2.gz GCBUYZFVGJWIHJ-UZLBHIALSA-N 2 2 310.441 3.448 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420370659 433183601 /nfs/dbraw/zinc/18/36/01/433183601.db2.gz PABPLZOXCGQRJJ-JTOWHCCKSA-N 2 2 317.477 3.113 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336718242 433185053 /nfs/dbraw/zinc/18/50/53/433185053.db2.gz RIWREASRXMXFEC-OXQOHEQNSA-N 2 2 310.441 3.448 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336718242 433185061 /nfs/dbraw/zinc/18/50/61/433185061.db2.gz RIWREASRXMXFEC-OXQOHEQNSA-N 2 2 310.441 3.448 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCC3CCOCC3)C2)cc1 ZINC000336718182 433187510 /nfs/dbraw/zinc/18/75/10/433187510.db2.gz RDBUCTWNVYANNT-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCC3CCOCC3)C2)cc1 ZINC000336718182 433187520 /nfs/dbraw/zinc/18/75/20/433187520.db2.gz RDBUCTWNVYANNT-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1OC ZINC000341663656 433194839 /nfs/dbraw/zinc/19/48/39/433194839.db2.gz YBSVLZRNWHOPOZ-AWEZNQCLSA-N 2 2 303.406 3.031 20 0 DGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420405813 433198416 /nfs/dbraw/zinc/19/84/16/433198416.db2.gz MZCHGPLQJWRPMT-HNNXBMFYSA-N 2 2 316.449 3.449 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C[NH3+] ZINC000420422779 433201492 /nfs/dbraw/zinc/20/14/92/433201492.db2.gz ZPKMTGGEHKODTJ-QWHCGFSZSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C[C@H]1C[NH3+] ZINC000420422779 433201506 /nfs/dbraw/zinc/20/15/06/433201506.db2.gz ZPKMTGGEHKODTJ-QWHCGFSZSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420413152 433201677 /nfs/dbraw/zinc/20/16/77/433201677.db2.gz SRFQVRHLORKYFH-GDBMZVCRSA-N 2 2 315.486 3.151 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420413152 433201685 /nfs/dbraw/zinc/20/16/85/433201685.db2.gz SRFQVRHLORKYFH-GDBMZVCRSA-N 2 2 315.486 3.151 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420416274 433202781 /nfs/dbraw/zinc/20/27/81/433202781.db2.gz VRIRGRCMFNAOCH-FZMZJTMJSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420416274 433202786 /nfs/dbraw/zinc/20/27/86/433202786.db2.gz VRIRGRCMFNAOCH-FZMZJTMJSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1ccc(C[C@H](CO)[NH2+]CCCc2c[nH+]ccc2C)cc1C ZINC000453636342 433254242 /nfs/dbraw/zinc/25/42/42/433254242.db2.gz UESPUHBRYOKUPT-HXUWFJFHSA-N 2 2 312.457 3.133 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447902231 433319304 /nfs/dbraw/zinc/31/93/04/433319304.db2.gz JGJVUDRXTZOIGL-RDJZCZTQSA-N 2 2 317.477 3.114 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447902231 433319316 /nfs/dbraw/zinc/31/93/16/433319316.db2.gz JGJVUDRXTZOIGL-RDJZCZTQSA-N 2 2 317.477 3.114 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000350892845 433321987 /nfs/dbraw/zinc/32/19/87/433321987.db2.gz FBIRZIOTSJVNMV-BTHPGYMESA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000350892845 433321991 /nfs/dbraw/zinc/32/19/91/433321991.db2.gz FBIRZIOTSJVNMV-BTHPGYMESA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000422872417 289737259 /nfs/dbraw/zinc/73/72/59/289737259.db2.gz HBHIXALWVJJBPE-ALKREAHSSA-N 2 2 320.452 3.414 20 0 DGADLP CCCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420898044 433297497 /nfs/dbraw/zinc/29/74/97/433297497.db2.gz CBWJEIMPDSMNIL-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP CCCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420898044 433297506 /nfs/dbraw/zinc/29/75/06/433297506.db2.gz CBWJEIMPDSMNIL-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902286 433301287 /nfs/dbraw/zinc/30/12/87/433301287.db2.gz MIOZUTJHHZGAHK-IBGZPJMESA-N 2 2 302.462 3.139 20 0 DGADLP CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902286 433301290 /nfs/dbraw/zinc/30/12/90/433301290.db2.gz MIOZUTJHHZGAHK-IBGZPJMESA-N 2 2 302.462 3.139 20 0 DGADLP c1ccc([C@H]2CC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420904829 433302242 /nfs/dbraw/zinc/30/22/42/433302242.db2.gz COOHGELZNFCJMC-OAQYLSRUSA-N 2 2 322.452 3.466 20 0 DGADLP c1ccc([C@H]2CC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420904829 433302252 /nfs/dbraw/zinc/30/22/52/433302252.db2.gz COOHGELZNFCJMC-OAQYLSRUSA-N 2 2 322.452 3.466 20 0 DGADLP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835626 433306843 /nfs/dbraw/zinc/30/68/43/433306843.db2.gz VNTFGIMYVXZJJR-VQTJNVASSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835626 433306853 /nfs/dbraw/zinc/30/68/53/433306853.db2.gz VNTFGIMYVXZJJR-VQTJNVASSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835626 433306862 /nfs/dbraw/zinc/30/68/62/433306862.db2.gz VNTFGIMYVXZJJR-VQTJNVASSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835626 433306869 /nfs/dbraw/zinc/30/68/69/433306869.db2.gz VNTFGIMYVXZJJR-VQTJNVASSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837937 433309064 /nfs/dbraw/zinc/30/90/64/433309064.db2.gz XWHUKNFUAKNHOA-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000341837937 433309075 /nfs/dbraw/zinc/30/90/75/433309075.db2.gz XWHUKNFUAKNHOA-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837937 433309086 /nfs/dbraw/zinc/30/90/86/433309086.db2.gz XWHUKNFUAKNHOA-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341837937 433309095 /nfs/dbraw/zinc/30/90/95/433309095.db2.gz XWHUKNFUAKNHOA-QUCCMNQESA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341896211 433347703 /nfs/dbraw/zinc/34/77/03/433347703.db2.gz YLRJRARIEATJKF-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341896211 433347718 /nfs/dbraw/zinc/34/77/18/433347718.db2.gz YLRJRARIEATJKF-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)C ZINC000361702984 433351947 /nfs/dbraw/zinc/35/19/47/433351947.db2.gz PFVWOJYEGPVBKW-UHFFFAOYSA-N 2 2 301.434 3.285 20 0 DGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)C ZINC000361702984 433351955 /nfs/dbraw/zinc/35/19/55/433351955.db2.gz PFVWOJYEGPVBKW-UHFFFAOYSA-N 2 2 301.434 3.285 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000448024284 433352984 /nfs/dbraw/zinc/35/29/84/433352984.db2.gz XMDGWVXWWASNNX-TWMKSMIVSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000448024284 433352993 /nfs/dbraw/zinc/35/29/93/433352993.db2.gz XMDGWVXWWASNNX-TWMKSMIVSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@@H](C1CCC1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912176 433355217 /nfs/dbraw/zinc/35/52/17/433355217.db2.gz WDRVGECRKNKONU-PXNSSMCTSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](C1CCC1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912176 433355228 /nfs/dbraw/zinc/35/52/28/433355228.db2.gz WDRVGECRKNKONU-PXNSSMCTSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](C1CCC1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341912176 433355241 /nfs/dbraw/zinc/35/52/41/433355241.db2.gz WDRVGECRKNKONU-PXNSSMCTSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H](C1CCC1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341912176 433355249 /nfs/dbraw/zinc/35/52/49/433355249.db2.gz WDRVGECRKNKONU-PXNSSMCTSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000448035263 433355501 /nfs/dbraw/zinc/35/55/01/433355501.db2.gz OSEDDCVCHYYLQT-KRWDZBQOSA-N 2 2 308.510 3.436 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000448035263 433355513 /nfs/dbraw/zinc/35/55/13/433355513.db2.gz OSEDDCVCHYYLQT-KRWDZBQOSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)C[NH+](C)C ZINC000425935795 433378256 /nfs/dbraw/zinc/37/82/56/433378256.db2.gz JWAPAXHFCFIARJ-KDOFPFPSSA-N 2 2 301.409 3.097 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000341946732 433376305 /nfs/dbraw/zinc/37/63/05/433376305.db2.gz QQZHTCJXYZJWOK-UHFFFAOYSA-N 2 2 317.408 3.443 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C2 ZINC000425927638 433376655 /nfs/dbraw/zinc/37/66/55/433376655.db2.gz XALOEWKBBRLKIM-JZXOWHBKSA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C)C2 ZINC000425927638 433376668 /nfs/dbraw/zinc/37/66/68/433376668.db2.gz XALOEWKBBRLKIM-JZXOWHBKSA-N 2 2 316.489 3.405 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000339067047 433335946 /nfs/dbraw/zinc/33/59/46/433335946.db2.gz IHEVNZUTFBCYQF-JSGCOSHPSA-N 2 2 303.431 3.120 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000339067047 433335954 /nfs/dbraw/zinc/33/59/54/433335954.db2.gz IHEVNZUTFBCYQF-JSGCOSHPSA-N 2 2 303.431 3.120 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000339141316 433386425 /nfs/dbraw/zinc/38/64/25/433386425.db2.gz SCEFBEMOQLNIQM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000339141316 433386435 /nfs/dbraw/zinc/38/64/35/433386435.db2.gz SCEFBEMOQLNIQM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000339141316 433386442 /nfs/dbraw/zinc/38/64/42/433386442.db2.gz SCEFBEMOQLNIQM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000339141316 433386451 /nfs/dbraw/zinc/38/64/51/433386451.db2.gz SCEFBEMOQLNIQM-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP C[C@H](CC[NH2+]Cc1ncc(Cl)n1C)[N@H+](C)Cc1ccccc1 ZINC000281810649 433390024 /nfs/dbraw/zinc/39/00/24/433390024.db2.gz WBGFFQOFJFWMBO-CQSZACIVSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@H](CC[NH2+]Cc1ncc(Cl)n1C)[N@@H+](C)Cc1ccccc1 ZINC000281810649 433390034 /nfs/dbraw/zinc/39/00/34/433390034.db2.gz WBGFFQOFJFWMBO-CQSZACIVSA-N 2 2 320.868 3.074 20 0 DGADLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341983267 433396006 /nfs/dbraw/zinc/39/60/06/433396006.db2.gz MIGKXBXCIGWGSC-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341983267 433396016 /nfs/dbraw/zinc/39/60/16/433396016.db2.gz MIGKXBXCIGWGSC-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)oc2c1 ZINC000426018034 433403717 /nfs/dbraw/zinc/40/37/17/433403717.db2.gz FAZPOKVHNQBQKL-HZPDHXFCSA-N 2 2 316.445 3.360 20 0 DGADLP Cc1cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301082274 433405710 /nfs/dbraw/zinc/40/57/10/433405710.db2.gz ODTMLEMLRPCVAY-KRWDZBQOSA-N 2 2 310.445 3.402 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301082274 433405716 /nfs/dbraw/zinc/40/57/16/433405716.db2.gz ODTMLEMLRPCVAY-KRWDZBQOSA-N 2 2 310.445 3.402 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000426048499 433413064 /nfs/dbraw/zinc/41/30/64/433413064.db2.gz HNSHQVMRGVGYJL-IRXDYDNUSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000426048499 433413074 /nfs/dbraw/zinc/41/30/74/433413074.db2.gz HNSHQVMRGVGYJL-IRXDYDNUSA-N 2 2 302.462 3.017 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)C[NH+]1CCOCC1 ZINC000361882013 433435013 /nfs/dbraw/zinc/43/50/13/433435013.db2.gz YFOVIYSFKBNNOK-LPHOPBHVSA-N 2 2 302.462 3.012 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc1C ZINC000414172907 433437932 /nfs/dbraw/zinc/43/79/32/433437932.db2.gz WJFAERFRINKSKA-OXJNMPFZSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc1C ZINC000414172907 433437935 /nfs/dbraw/zinc/43/79/35/433437935.db2.gz WJFAERFRINKSKA-OXJNMPFZSA-N 2 2 324.472 3.094 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052226 433440084 /nfs/dbraw/zinc/44/00/84/433440084.db2.gz BRSNGGZTAKBILT-DNVCBOLYSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292052226 433440092 /nfs/dbraw/zinc/44/00/92/433440092.db2.gz BRSNGGZTAKBILT-DNVCBOLYSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292052226 433440100 /nfs/dbraw/zinc/44/01/00/433440100.db2.gz BRSNGGZTAKBILT-DNVCBOLYSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292052226 433440109 /nfs/dbraw/zinc/44/01/09/433440109.db2.gz BRSNGGZTAKBILT-DNVCBOLYSA-N 2 2 311.429 3.430 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179100 433445927 /nfs/dbraw/zinc/44/59/27/433445927.db2.gz LEPWEFIRXYJGTB-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179100 433445933 /nfs/dbraw/zinc/44/59/33/433445933.db2.gz LEPWEFIRXYJGTB-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H](CC(C)(C)C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000414183391 433446020 /nfs/dbraw/zinc/44/60/20/433446020.db2.gz MSYUOHRDXZUBJA-GFCCVEGCSA-N 2 2 310.405 3.447 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000301213888 433456951 /nfs/dbraw/zinc/45/69/51/433456951.db2.gz WOKZJOICPWFFJT-CHWSQXEVSA-N 2 2 319.836 3.409 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000292084873 433457674 /nfs/dbraw/zinc/45/76/74/433457674.db2.gz GBDQZQLDMICNDT-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000292084873 433457682 /nfs/dbraw/zinc/45/76/82/433457682.db2.gz GBDQZQLDMICNDT-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCC ZINC000292084873 433457687 /nfs/dbraw/zinc/45/76/87/433457687.db2.gz GBDQZQLDMICNDT-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000292084873 433457696 /nfs/dbraw/zinc/45/76/96/433457696.db2.gz GBDQZQLDMICNDT-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000414210414 433461600 /nfs/dbraw/zinc/46/16/00/433461600.db2.gz MWPADUHYYQJRQJ-UHFFFAOYSA-N 2 2 317.658 3.286 20 0 DGADLP CCc1nc(N(CC)Cc2ccc(C[NH+](C)C)cc2)cc(C)[nH+]1 ZINC000342092335 433465160 /nfs/dbraw/zinc/46/51/60/433465160.db2.gz HDQIEJXVKVTCOP-UHFFFAOYSA-N 2 2 312.461 3.436 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292116490 433466113 /nfs/dbraw/zinc/46/61/13/433466113.db2.gz JTBNOXOTPLBISN-KRWDZBQOSA-N 2 2 310.388 3.124 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292116490 433466123 /nfs/dbraw/zinc/46/61/23/433466123.db2.gz JTBNOXOTPLBISN-KRWDZBQOSA-N 2 2 310.388 3.124 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292116490 433466137 /nfs/dbraw/zinc/46/61/37/433466137.db2.gz JTBNOXOTPLBISN-KRWDZBQOSA-N 2 2 310.388 3.124 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292116490 433466146 /nfs/dbraw/zinc/46/61/46/433466146.db2.gz JTBNOXOTPLBISN-KRWDZBQOSA-N 2 2 310.388 3.124 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000361972555 433473980 /nfs/dbraw/zinc/47/39/80/433473980.db2.gz SBMRITTZTXLJQS-CZUORRHYSA-N 2 2 310.532 3.496 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000361972556 433476480 /nfs/dbraw/zinc/47/64/80/433476480.db2.gz SBMRITTZTXLJQS-XJKSGUPXSA-N 2 2 310.532 3.496 20 0 DGADLP CC[N@H+](CC1CCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342119800 433480610 /nfs/dbraw/zinc/48/06/10/433480610.db2.gz CTXYZQIHEAKSOD-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC[N@@H+](CC1CCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342119800 433480618 /nfs/dbraw/zinc/48/06/18/433480618.db2.gz CTXYZQIHEAKSOD-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CC1CCC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342119800 433480630 /nfs/dbraw/zinc/48/06/30/433480630.db2.gz CTXYZQIHEAKSOD-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CC1CCC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342119800 433480638 /nfs/dbraw/zinc/48/06/38/433480638.db2.gz CTXYZQIHEAKSOD-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000351348343 433482541 /nfs/dbraw/zinc/48/25/41/433482541.db2.gz FMKQRXCHQZCYMD-INIZCTEOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000351348343 433482547 /nfs/dbraw/zinc/48/25/47/433482547.db2.gz FMKQRXCHQZCYMD-INIZCTEOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000414246292 433484133 /nfs/dbraw/zinc/48/41/33/433484133.db2.gz BIMQIOJBUBRSCW-GJZGRUSLSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414246292 433484142 /nfs/dbraw/zinc/48/41/42/433484142.db2.gz BIMQIOJBUBRSCW-GJZGRUSLSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnn(C(C)C)c2)[nH+]1 ZINC000362087104 433516358 /nfs/dbraw/zinc/51/63/58/433516358.db2.gz OXABEHQNBBKDDZ-KRWDZBQOSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnn(C(C)C)c2)[nH+]1 ZINC000362087104 433516367 /nfs/dbraw/zinc/51/63/67/433516367.db2.gz OXABEHQNBBKDDZ-KRWDZBQOSA-N 2 2 313.449 3.244 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000414294926 433519069 /nfs/dbraw/zinc/51/90/69/433519069.db2.gz CKMVLZQPFQIKGG-BQFCYCMXSA-N 2 2 302.462 3.369 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000414294926 433519082 /nfs/dbraw/zinc/51/90/82/433519082.db2.gz CKMVLZQPFQIKGG-BQFCYCMXSA-N 2 2 302.462 3.369 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)n1C ZINC000414296951 433519348 /nfs/dbraw/zinc/51/93/48/433519348.db2.gz FWOKQFKSKKIROQ-MSOLQXFVSA-N 2 2 312.461 3.302 20 0 DGADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342214995 433541237 /nfs/dbraw/zinc/54/12/37/433541237.db2.gz MTVWLJLKRNVFGX-CRAIPNDOSA-N 2 2 322.456 3.737 20 0 DGADLP Brc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000342179577 433521537 /nfs/dbraw/zinc/52/15/37/433521537.db2.gz UQSAOKGGSWDTQO-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP Brc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000342179577 433521547 /nfs/dbraw/zinc/52/15/47/433521547.db2.gz UQSAOKGGSWDTQO-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000342214995 433541245 /nfs/dbraw/zinc/54/12/45/433541245.db2.gz MTVWLJLKRNVFGX-CRAIPNDOSA-N 2 2 322.456 3.737 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292268846 433531436 /nfs/dbraw/zinc/53/14/36/433531436.db2.gz ZJSLBIQMHZMGFG-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292268846 433531447 /nfs/dbraw/zinc/53/14/47/433531447.db2.gz ZJSLBIQMHZMGFG-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292268846 433531452 /nfs/dbraw/zinc/53/14/52/433531452.db2.gz ZJSLBIQMHZMGFG-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292268846 433531455 /nfs/dbraw/zinc/53/14/55/433531455.db2.gz ZJSLBIQMHZMGFG-QGZVFWFLSA-N 2 2 317.458 3.239 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282221021 433534493 /nfs/dbraw/zinc/53/44/93/433534493.db2.gz YRHPHFHIGAEYOQ-CQSZACIVSA-N 2 2 314.408 3.133 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000282221021 433534501 /nfs/dbraw/zinc/53/45/01/433534501.db2.gz YRHPHFHIGAEYOQ-CQSZACIVSA-N 2 2 314.408 3.133 20 0 DGADLP Fc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000414310143 433534980 /nfs/dbraw/zinc/53/49/80/433534980.db2.gz ZDQNCTGVBAVFQZ-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351500863 433535887 /nfs/dbraw/zinc/53/58/87/433535887.db2.gz XRMIXQKTYJMOQN-VOAKCMCISA-N 2 2 320.387 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351500863 433535894 /nfs/dbraw/zinc/53/58/94/433535894.db2.gz XRMIXQKTYJMOQN-VOAKCMCISA-N 2 2 320.387 3.162 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000421390505 433538554 /nfs/dbraw/zinc/53/85/54/433538554.db2.gz SKYMFVMXZRAJDY-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCC2(O)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421390505 433538565 /nfs/dbraw/zinc/53/85/65/433538565.db2.gz SKYMFVMXZRAJDY-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128349 433488638 /nfs/dbraw/zinc/48/86/38/433488638.db2.gz MUFOBRLKAFYOFM-UYAOXDASSA-N 2 2 314.473 3.441 20 0 DGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128349 433488650 /nfs/dbraw/zinc/48/86/50/433488650.db2.gz MUFOBRLKAFYOFM-UYAOXDASSA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128349 433488655 /nfs/dbraw/zinc/48/86/55/433488655.db2.gz MUFOBRLKAFYOFM-UYAOXDASSA-N 2 2 314.473 3.441 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342128349 433488664 /nfs/dbraw/zinc/48/86/64/433488664.db2.gz MUFOBRLKAFYOFM-UYAOXDASSA-N 2 2 314.473 3.441 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c[nH+]1 ZINC000355140827 433490489 /nfs/dbraw/zinc/49/04/89/433490489.db2.gz VNPLPZCHQAMOCZ-OAQYLSRUSA-N 2 2 324.468 3.392 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c[nH+]1 ZINC000355140827 433490495 /nfs/dbraw/zinc/49/04/95/433490495.db2.gz VNPLPZCHQAMOCZ-OAQYLSRUSA-N 2 2 324.468 3.392 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455473774 433540932 /nfs/dbraw/zinc/54/09/32/433540932.db2.gz JSSQYILGSGYEKX-INIZCTEOSA-N 2 2 318.465 3.393 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455473774 433540944 /nfs/dbraw/zinc/54/09/44/433540944.db2.gz JSSQYILGSGYEKX-INIZCTEOSA-N 2 2 318.465 3.393 20 0 DGADLP Cc1cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000301451160 433560544 /nfs/dbraw/zinc/56/05/44/433560544.db2.gz QFCNAGHMYAIDAH-INIZCTEOSA-N 2 2 310.445 3.194 20 0 DGADLP Cc1c(C)c(C)c(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)c1C ZINC000414357299 433565293 /nfs/dbraw/zinc/56/52/93/433565293.db2.gz CDBBQTHRJNHLTG-UHFFFAOYSA-N 2 2 314.477 3.318 20 0 DGADLP CCOc1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351565117 433580283 /nfs/dbraw/zinc/58/02/83/433580283.db2.gz BFVRAWJGIDKRBV-UHFFFAOYSA-N 2 2 308.385 3.337 20 0 DGADLP CCOC(=O)CCCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426751960 433584621 /nfs/dbraw/zinc/58/46/21/433584621.db2.gz ZLZOBIYEJDOYLP-UHFFFAOYSA-N 2 2 312.498 3.306 20 0 DGADLP CCOC(=O)CCCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426751960 433584633 /nfs/dbraw/zinc/58/46/33/433584633.db2.gz ZLZOBIYEJDOYLP-UHFFFAOYSA-N 2 2 312.498 3.306 20 0 DGADLP Cc1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000414385027 433584774 /nfs/dbraw/zinc/58/47/74/433584774.db2.gz WFMKYSIGSCMULV-HZPDHXFCSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384129 433584838 /nfs/dbraw/zinc/58/48/38/433584838.db2.gz BLRVPIBVMDHJOR-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384129 433584848 /nfs/dbraw/zinc/58/48/48/433584848.db2.gz BLRVPIBVMDHJOR-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384129 433584853 /nfs/dbraw/zinc/58/48/53/433584853.db2.gz BLRVPIBVMDHJOR-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000414384129 433584863 /nfs/dbraw/zinc/58/48/63/433584863.db2.gz BLRVPIBVMDHJOR-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1occc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000414382658 433588472 /nfs/dbraw/zinc/58/84/72/433588472.db2.gz PLRAKFFOGRUAMQ-UHFFFAOYSA-N 2 2 313.445 3.122 20 0 DGADLP Cc1occc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000414382658 433588476 /nfs/dbraw/zinc/58/84/76/433588476.db2.gz PLRAKFFOGRUAMQ-UHFFFAOYSA-N 2 2 313.445 3.122 20 0 DGADLP Cc1cc[nH+]c(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000301619556 433641382 /nfs/dbraw/zinc/64/13/82/433641382.db2.gz CCJASHMJXIAVKE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cc[nH+]c(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000301619556 433641390 /nfs/dbraw/zinc/64/13/90/433641390.db2.gz CCJASHMJXIAVKE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cc[nH+]c(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000301619556 433641401 /nfs/dbraw/zinc/64/14/01/433641401.db2.gz CCJASHMJXIAVKE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cc[nH+]c(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000301619556 433641409 /nfs/dbraw/zinc/64/14/09/433641409.db2.gz CCJASHMJXIAVKE-IBGZPJMESA-N 2 2 324.472 3.181 20 0 DGADLP COCC1(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCC1 ZINC000339449267 433598184 /nfs/dbraw/zinc/59/81/84/433598184.db2.gz XOSURGUNSCMEPJ-UHFFFAOYSA-N 2 2 313.445 3.477 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000292922892 433604871 /nfs/dbraw/zinc/60/48/71/433604871.db2.gz LVADPAVWHLWHGU-SFHVURJKSA-N 2 2 315.461 3.253 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)co2)cc1 ZINC000351600003 433607561 /nfs/dbraw/zinc/60/75/61/433607561.db2.gz LUILRXBOUCANDR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)co2)cc1 ZINC000351600003 433607573 /nfs/dbraw/zinc/60/75/73/433607573.db2.gz LUILRXBOUCANDR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2nc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)co2)cc1 ZINC000351600003 433607581 /nfs/dbraw/zinc/60/75/81/433607581.db2.gz LUILRXBOUCANDR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2nc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)co2)cc1 ZINC000351600003 433607590 /nfs/dbraw/zinc/60/75/90/433607590.db2.gz LUILRXBOUCANDR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1nc(NC[C@@H](c2ccccc2)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000301560311 433611862 /nfs/dbraw/zinc/61/18/62/433611862.db2.gz KDPCCIYHAZUCFK-SFHVURJKSA-N 2 2 310.445 3.379 20 0 DGADLP CCSCc1cc[nH+]c(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000351620326 433621249 /nfs/dbraw/zinc/62/12/49/433621249.db2.gz OZPPDSIHKKBJGY-UHFFFAOYSA-N 2 2 322.503 3.465 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc4ccoc43)CC2)c1 ZINC000449020743 433673621 /nfs/dbraw/zinc/67/36/21/433673621.db2.gz AGIZGIKBKWATNN-UHFFFAOYSA-N 2 2 323.396 3.159 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000342413003 433674629 /nfs/dbraw/zinc/67/46/29/433674629.db2.gz FAJIBKIUEUZSPE-BHIYHBOVSA-N 2 2 322.452 3.415 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000342413003 433674642 /nfs/dbraw/zinc/67/46/42/433674642.db2.gz FAJIBKIUEUZSPE-BHIYHBOVSA-N 2 2 322.452 3.415 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026862 433676621 /nfs/dbraw/zinc/67/66/21/433676621.db2.gz GZOIXRYLWOESLQ-DOTOQJQBSA-N 2 2 304.482 3.303 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026862 433676630 /nfs/dbraw/zinc/67/66/30/433676630.db2.gz GZOIXRYLWOESLQ-DOTOQJQBSA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026862 433676641 /nfs/dbraw/zinc/67/66/41/433676641.db2.gz GZOIXRYLWOESLQ-DOTOQJQBSA-N 2 2 304.482 3.303 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449026862 433676646 /nfs/dbraw/zinc/67/66/46/433676646.db2.gz GZOIXRYLWOESLQ-DOTOQJQBSA-N 2 2 304.482 3.303 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025719 433680070 /nfs/dbraw/zinc/68/00/70/433680070.db2.gz CMAQWVGDSPMZNN-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025719 433680081 /nfs/dbraw/zinc/68/00/81/433680081.db2.gz CMAQWVGDSPMZNN-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025719 433680092 /nfs/dbraw/zinc/68/00/92/433680092.db2.gz CMAQWVGDSPMZNN-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025719 433680099 /nfs/dbraw/zinc/68/00/99/433680099.db2.gz CMAQWVGDSPMZNN-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP Fc1cccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000301701901 433688071 /nfs/dbraw/zinc/68/80/71/433688071.db2.gz GJNIMYFFHOJUFL-UHFFFAOYSA-N 2 2 305.784 3.196 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccnc(C)n1 ZINC000351732363 433690946 /nfs/dbraw/zinc/69/09/46/433690946.db2.gz QZGWISKCNHGTRA-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccnc(C)n1 ZINC000351732363 433690949 /nfs/dbraw/zinc/69/09/49/433690949.db2.gz QZGWISKCNHGTRA-KRWDZBQOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccccc1N(C)C)CCC2 ZINC000362335126 433649589 /nfs/dbraw/zinc/64/95/89/433649589.db2.gz KBDLYNCIGGVTPI-CVEARBPZSA-N 2 2 312.461 3.486 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000427103675 433650070 /nfs/dbraw/zinc/65/00/70/433650070.db2.gz WOUBCIMTUROCTA-INWMFGNUSA-N 2 2 323.278 3.236 20 0 DGADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000427103675 433650079 /nfs/dbraw/zinc/65/00/79/433650079.db2.gz WOUBCIMTUROCTA-INWMFGNUSA-N 2 2 323.278 3.236 20 0 DGADLP CC(C)SCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000366913795 293003993 /nfs/dbraw/zinc/00/39/93/293003993.db2.gz UFLXCNIYJNECDV-DOTOQJQBSA-N 2 2 307.507 3.023 20 0 DGADLP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000366913795 293003996 /nfs/dbraw/zinc/00/39/96/293003996.db2.gz UFLXCNIYJNECDV-DOTOQJQBSA-N 2 2 307.507 3.023 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000366925270 293005065 /nfs/dbraw/zinc/00/50/65/293005065.db2.gz VENDYWVFLZHQML-CYBMUJFWSA-N 2 2 309.335 3.428 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000366925270 293005067 /nfs/dbraw/zinc/00/50/67/293005067.db2.gz VENDYWVFLZHQML-CYBMUJFWSA-N 2 2 309.335 3.428 20 0 DGADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000367402692 293067841 /nfs/dbraw/zinc/06/78/41/293067841.db2.gz SVMORWBVBOGERP-AUUYWEPGSA-N 2 2 305.381 3.484 20 0 DGADLP CC[N@H+](CCC1CCN(c2cc(C)[nH+]cn2)CC1)CC1CC1 ZINC000356787182 433695525 /nfs/dbraw/zinc/69/55/25/433695525.db2.gz BURHTQYQGDGOSE-UHFFFAOYSA-N 2 2 302.466 3.123 20 0 DGADLP CC[N@@H+](CCC1CCN(c2cc(C)[nH+]cn2)CC1)CC1CC1 ZINC000356787182 433695531 /nfs/dbraw/zinc/69/55/31/433695531.db2.gz BURHTQYQGDGOSE-UHFFFAOYSA-N 2 2 302.466 3.123 20 0 DGADLP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000370084831 293155129 /nfs/dbraw/zinc/15/51/29/293155129.db2.gz ZHBRLFAUNWYZCG-UHFFFAOYSA-N 2 2 312.417 3.351 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000183078159 293160718 /nfs/dbraw/zinc/16/07/18/293160718.db2.gz BRCYDJRQXQRUDD-KEYYUXOJSA-N 2 2 312.404 3.115 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)cc2)c[nH+]1 ZINC000371077317 293198655 /nfs/dbraw/zinc/19/86/55/293198655.db2.gz WSESFVVOBAJWHL-GOSISDBHSA-N 2 2 311.429 3.121 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](C4CCOCC4)C3)cc2)c[nH+]1 ZINC000371077317 293198657 /nfs/dbraw/zinc/19/86/57/293198657.db2.gz WSESFVVOBAJWHL-GOSISDBHSA-N 2 2 311.429 3.121 20 0 DGADLP CN(C)c1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000372274037 293228952 /nfs/dbraw/zinc/22/89/52/293228952.db2.gz PEJYGCNZZCQDPM-UHFFFAOYSA-N 2 2 312.461 3.219 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c[nH+]1 ZINC000414546632 433708619 /nfs/dbraw/zinc/70/86/19/433708619.db2.gz YJTJQUOINWHZRS-SFHVURJKSA-N 2 2 302.462 3.460 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c[nH+]1 ZINC000414546632 433708636 /nfs/dbraw/zinc/70/86/36/433708636.db2.gz YJTJQUOINWHZRS-SFHVURJKSA-N 2 2 302.462 3.460 20 0 DGADLP CCOCCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660624 433710868 /nfs/dbraw/zinc/71/08/68/433710868.db2.gz IKDYMIATJJNKRX-INIZCTEOSA-N 2 2 301.434 3.236 20 0 DGADLP CCOCCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660624 433710877 /nfs/dbraw/zinc/71/08/77/433710877.db2.gz IKDYMIATJJNKRX-INIZCTEOSA-N 2 2 301.434 3.236 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000373351408 293264479 /nfs/dbraw/zinc/26/44/79/293264479.db2.gz BHZUICMSDURFNF-KXBFYZLASA-N 2 2 322.412 3.133 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCC13CCOCC3)CCC2 ZINC000374388053 293393271 /nfs/dbraw/zinc/39/32/71/293393271.db2.gz KGMODDSRWOQBFY-HZPDHXFCSA-N 2 2 303.450 3.008 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1[nH+]c2ccccc2n1C ZINC000427500278 433720911 /nfs/dbraw/zinc/72/09/11/433720911.db2.gz UIVGDBOGEIIFCG-UHFFFAOYSA-N 2 2 322.456 4.026 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1[nH+]c2ccccc2n1C ZINC000427500278 433720920 /nfs/dbraw/zinc/72/09/20/433720920.db2.gz UIVGDBOGEIIFCG-UHFFFAOYSA-N 2 2 322.456 4.026 20 0 DGADLP CC[NH+](CC)Cc1ccccc1CNc1[nH+]c2ccccc2n1C ZINC000427506362 433721422 /nfs/dbraw/zinc/72/14/22/433721422.db2.gz RMELTTQXPWYYBS-UHFFFAOYSA-N 2 2 322.456 4.027 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000342548212 433737415 /nfs/dbraw/zinc/73/74/15/433737415.db2.gz SINYAVIQALDLMQ-SFHVURJKSA-N 2 2 308.466 3.377 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000342548212 433737424 /nfs/dbraw/zinc/73/74/24/433737424.db2.gz SINYAVIQALDLMQ-SFHVURJKSA-N 2 2 308.466 3.377 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)C[C@H](C)O1 ZINC000362528258 433738379 /nfs/dbraw/zinc/73/83/79/433738379.db2.gz KTQNXRNAADNNLG-BETUJISGSA-N 2 2 314.832 3.068 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)C[C@H](C)O1 ZINC000362528258 433738386 /nfs/dbraw/zinc/73/83/86/433738386.db2.gz KTQNXRNAADNNLG-BETUJISGSA-N 2 2 314.832 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449386972 433738610 /nfs/dbraw/zinc/73/86/10/433738610.db2.gz KFEKWMZJXGOVGX-HSALFYBXSA-N 2 2 316.489 3.068 20 0 DGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000449386972 433738618 /nfs/dbraw/zinc/73/86/18/433738618.db2.gz KFEKWMZJXGOVGX-HSALFYBXSA-N 2 2 316.489 3.068 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356875539 433742497 /nfs/dbraw/zinc/74/24/97/433742497.db2.gz QZXFYEDIUCFCKP-JZXOWHBKSA-N 2 2 317.477 3.012 20 0 DGADLP COC1([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000421819451 433743358 /nfs/dbraw/zinc/74/33/58/433743358.db2.gz HESHLMOBXAPMCY-INIZCTEOSA-N 2 2 313.445 3.369 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421821755 433743506 /nfs/dbraw/zinc/74/35/06/433743506.db2.gz TXJSUVKHPODCPV-QGZVFWFLSA-N 2 2 320.440 3.277 20 0 DGADLP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000421824978 433749223 /nfs/dbraw/zinc/74/92/23/433749223.db2.gz LFFFBBFCDQZZFN-CQSZACIVSA-N 2 2 317.408 3.449 20 0 DGADLP COc1cc2c(cc1Cl)C[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000339734726 433755013 /nfs/dbraw/zinc/75/50/13/433755013.db2.gz YNNIQHFHZJIEMV-OAHLLOKOSA-N 2 2 308.853 3.191 20 0 DGADLP COc1cc2c(cc1Cl)C[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000339734726 433755020 /nfs/dbraw/zinc/75/50/20/433755020.db2.gz YNNIQHFHZJIEMV-OAHLLOKOSA-N 2 2 308.853 3.191 20 0 DGADLP COc1cc2c(cc1Cl)C[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000339734726 433755026 /nfs/dbraw/zinc/75/50/26/433755026.db2.gz YNNIQHFHZJIEMV-OAHLLOKOSA-N 2 2 308.853 3.191 20 0 DGADLP COc1cc2c(cc1Cl)C[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000339734726 433755030 /nfs/dbraw/zinc/75/50/30/433755030.db2.gz YNNIQHFHZJIEMV-OAHLLOKOSA-N 2 2 308.853 3.191 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857414 433759161 /nfs/dbraw/zinc/75/91/61/433759161.db2.gz XRHBGWMVZVGVLN-TUAOUCFPSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857414 433759170 /nfs/dbraw/zinc/75/91/70/433759170.db2.gz XRHBGWMVZVGVLN-TUAOUCFPSA-N 2 2 308.376 3.162 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)c(F)c1 ZINC000421840918 433760791 /nfs/dbraw/zinc/76/07/91/433760791.db2.gz JFNQTGZVGHQNOO-SCLBCKFNSA-N 2 2 315.392 3.087 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293521348 433768868 /nfs/dbraw/zinc/76/88/68/433768868.db2.gz UHWFOGMBNYUFDL-LZQZEXGQSA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293521348 433768878 /nfs/dbraw/zinc/76/88/78/433768878.db2.gz UHWFOGMBNYUFDL-LZQZEXGQSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449105328 433724374 /nfs/dbraw/zinc/72/43/74/433724374.db2.gz CZZGQAJCSHANOT-FUHIMQAGSA-N 3 2 321.553 3.349 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000449106422 433725140 /nfs/dbraw/zinc/72/51/40/433725140.db2.gz LYFSCCXQAOTMGO-RWQQGDIJSA-N 2 2 302.462 3.287 20 0 DGADLP CCCc1[nH+]ccn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283779746 433775620 /nfs/dbraw/zinc/77/56/20/433775620.db2.gz DDFDSHNRGCRCQX-SFHVURJKSA-N 2 2 313.445 3.127 20 0 DGADLP c1cn(Cc2cccc(CNc3[nH]c4ccccc4[nH+]3)c2)c[nH+]1 ZINC000301898525 433783009 /nfs/dbraw/zinc/78/30/09/433783009.db2.gz WZDDLEDZRYWSRL-UHFFFAOYSA-N 2 2 303.369 3.420 20 0 DGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375322350 293512276 /nfs/dbraw/zinc/51/22/76/293512276.db2.gz SLSYBQLXINIQDJ-AWEZNQCLSA-N 2 2 301.409 3.469 20 0 DGADLP CC1=CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000283839102 433787057 /nfs/dbraw/zinc/78/70/57/433787057.db2.gz AVJBHNWEHZYAJJ-LJQANCHMSA-N 2 2 300.446 3.107 20 0 DGADLP Nc1nc(NCCCCC[NH+]2CCCCC2)[nH+]c2ccccc12 ZINC000301905168 433787698 /nfs/dbraw/zinc/78/76/98/433787698.db2.gz PYPHUOFIGZMHOE-UHFFFAOYSA-N 2 2 313.449 3.280 20 0 DGADLP CC[C@H](C)[NH2+][C@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1ccco1 ZINC000343257800 433790274 /nfs/dbraw/zinc/79/02/74/433790274.db2.gz ZCIWCAXSNNAEBO-SWLSCSKDSA-N 2 2 314.433 3.797 20 0 DGADLP Cc1cnc([C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971935 433790611 /nfs/dbraw/zinc/79/06/11/433790611.db2.gz BRDDQEPVZQKGEG-FUHWJXTLSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971935 433790621 /nfs/dbraw/zinc/79/06/21/433790621.db2.gz BRDDQEPVZQKGEG-FUHWJXTLSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000356971935 433790625 /nfs/dbraw/zinc/79/06/25/433790625.db2.gz BRDDQEPVZQKGEG-FUHWJXTLSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000356971935 433790631 /nfs/dbraw/zinc/79/06/31/433790631.db2.gz BRDDQEPVZQKGEG-FUHWJXTLSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971947 433793819 /nfs/dbraw/zinc/79/38/19/433793819.db2.gz BRDDQEPVZQKGEG-WMZOPIPTSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000356971947 433793832 /nfs/dbraw/zinc/79/38/32/433793832.db2.gz BRDDQEPVZQKGEG-WMZOPIPTSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000356971947 433793843 /nfs/dbraw/zinc/79/38/43/433793843.db2.gz BRDDQEPVZQKGEG-WMZOPIPTSA-N 2 2 313.445 3.498 20 0 DGADLP Cc1cnc([C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000356971947 433793850 /nfs/dbraw/zinc/79/38/50/433793850.db2.gz BRDDQEPVZQKGEG-WMZOPIPTSA-N 2 2 313.445 3.498 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000414708306 433803904 /nfs/dbraw/zinc/80/39/04/433803904.db2.gz NQGLRJRYFYILBI-CQSZACIVSA-N 2 2 311.267 3.401 20 0 DGADLP C[N@H+](CC[NH2+]C(C)(C)C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414753486 433815177 /nfs/dbraw/zinc/81/51/77/433815177.db2.gz DSXVXGZWLVJNAZ-IRXDYDNUSA-N 2 2 308.441 3.366 20 0 DGADLP C[N@@H+](CC[NH2+]C(C)(C)C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414753486 433815184 /nfs/dbraw/zinc/81/51/84/433815184.db2.gz DSXVXGZWLVJNAZ-IRXDYDNUSA-N 2 2 308.441 3.366 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000351956005 433818970 /nfs/dbraw/zinc/81/89/70/433818970.db2.gz MCCUJIUCZDDZPE-UHFFFAOYSA-N 2 2 312.417 3.082 20 0 DGADLP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000414760377 433819372 /nfs/dbraw/zinc/81/93/72/433819372.db2.gz YKZBTXCVDRMUPE-ZDUSSCGKSA-N 2 2 301.203 3.074 20 0 DGADLP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000414760377 433819381 /nfs/dbraw/zinc/81/93/81/433819381.db2.gz YKZBTXCVDRMUPE-ZDUSSCGKSA-N 2 2 301.203 3.074 20 0 DGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000414786228 433833051 /nfs/dbraw/zinc/83/30/51/433833051.db2.gz JRWZIOJQSNHWHO-MJGOQNOKSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000414786228 433833059 /nfs/dbraw/zinc/83/30/59/433833059.db2.gz JRWZIOJQSNHWHO-MJGOQNOKSA-N 2 2 308.425 3.156 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414795087 433839050 /nfs/dbraw/zinc/83/90/50/433839050.db2.gz MKRQWVAWOXWXST-KRWDZBQOSA-N 2 2 300.450 3.069 20 0 DGADLP CSCc1cnc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000293728218 433847543 /nfs/dbraw/zinc/84/75/43/433847543.db2.gz ZAXGDJDQZAPTMW-UHFFFAOYSA-N 2 2 322.503 3.383 20 0 DGADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)[C@H](C)[C@H]1OC ZINC000344102426 433848361 /nfs/dbraw/zinc/84/83/61/433848361.db2.gz NMVHWUWWOINNOF-MWDXBVQZSA-N 2 2 319.493 3.498 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc(Br)c1OC ZINC000414808523 433849497 /nfs/dbraw/zinc/84/94/97/433849497.db2.gz KVUQVVVUHXTDPD-UHFFFAOYSA-N 2 2 315.255 3.065 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414808149 433849779 /nfs/dbraw/zinc/84/97/79/433849779.db2.gz KJQJAOOSKNODKM-AEFFLSMTSA-N 3 2 303.494 3.147 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414808149 433849789 /nfs/dbraw/zinc/84/97/89/433849789.db2.gz KJQJAOOSKNODKM-AEFFLSMTSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344069363 433849666 /nfs/dbraw/zinc/84/96/66/433849666.db2.gz BSEZVHNOMDHRDL-IEBWSBKVSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344069363 433849673 /nfs/dbraw/zinc/84/96/73/433849673.db2.gz BSEZVHNOMDHRDL-IEBWSBKVSA-N 2 2 320.452 3.150 20 0 DGADLP c1cnn(-c2ccc(C[NH2+]CC[NH2+]C3CCCCCC3)cc2)c1 ZINC000414811745 433855819 /nfs/dbraw/zinc/85/58/19/433855819.db2.gz OKDOJJPUWWWSJR-UHFFFAOYSA-N 2 2 312.461 3.274 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293777546 433863535 /nfs/dbraw/zinc/86/35/35/433863535.db2.gz PXZKCJMWVQUVMW-MWLCHTKSSA-N 2 2 315.280 3.182 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293777546 433863545 /nfs/dbraw/zinc/86/35/45/433863545.db2.gz PXZKCJMWVQUVMW-MWLCHTKSSA-N 2 2 315.280 3.182 20 0 DGADLP CC1(C)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284230710 433865198 /nfs/dbraw/zinc/86/51/98/433865198.db2.gz VCXFCSWFVQRXGH-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284230710 433865206 /nfs/dbraw/zinc/86/52/06/433865206.db2.gz VCXFCSWFVQRXGH-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284230710 433865209 /nfs/dbraw/zinc/86/52/09/433865209.db2.gz VCXFCSWFVQRXGH-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284230710 433865215 /nfs/dbraw/zinc/86/52/15/433865215.db2.gz VCXFCSWFVQRXGH-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414833364 433866733 /nfs/dbraw/zinc/86/67/33/433866733.db2.gz ANHHPGMCYYHNQY-IEBWSBKVSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000414833364 433866742 /nfs/dbraw/zinc/86/67/42/433866742.db2.gz ANHHPGMCYYHNQY-IEBWSBKVSA-N 3 2 315.505 3.291 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3c4ccc(F)cc4O[C@H]3C)n2c1 ZINC000377394704 433868224 /nfs/dbraw/zinc/86/82/24/433868224.db2.gz ABFSNQIWNDFMRL-KPZWWZAWSA-N 2 2 311.360 3.394 20 0 DGADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414882341 433899901 /nfs/dbraw/zinc/89/99/01/433899901.db2.gz MDAOBUSYXNVKKP-ZLHKHBAESA-N 2 2 308.425 3.230 20 0 DGADLP Oc1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000302907342 433905191 /nfs/dbraw/zinc/90/51/91/433905191.db2.gz PNERSUPRKCFVPX-LJQANCHMSA-N 2 2 310.441 3.189 20 0 DGADLP Oc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000302907342 433905197 /nfs/dbraw/zinc/90/51/97/433905197.db2.gz PNERSUPRKCFVPX-LJQANCHMSA-N 2 2 310.441 3.189 20 0 DGADLP C[C@]1(C[NH2+]Cc2cc(F)ccc2Br)CCC[NH2+]C1 ZINC000414910192 433911875 /nfs/dbraw/zinc/91/18/75/433911875.db2.gz SMOUDVBOIOOJNF-AWEZNQCLSA-N 2 2 315.230 3.068 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000285057163 433914266 /nfs/dbraw/zinc/91/42/66/433914266.db2.gz ISQYTKNVEJQOCJ-CRAIPNDOSA-N 2 2 300.450 3.217 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000285057163 433914277 /nfs/dbraw/zinc/91/42/77/433914277.db2.gz ISQYTKNVEJQOCJ-CRAIPNDOSA-N 2 2 300.450 3.217 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c1OC(C)(C)C2 ZINC000352101977 433915702 /nfs/dbraw/zinc/91/57/02/433915702.db2.gz LNCNCBVJFSEYTA-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c1OC(C)(C)C2 ZINC000352101977 433915713 /nfs/dbraw/zinc/91/57/13/433915713.db2.gz LNCNCBVJFSEYTA-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3c(cccc3F)[nH]1)CCC2 ZINC000436245406 433916815 /nfs/dbraw/zinc/91/68/15/433916815.db2.gz MWJWUHLAHQSBBB-CYBMUJFWSA-N 2 2 312.392 3.479 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1C[NH3+] ZINC000422561895 433919880 /nfs/dbraw/zinc/91/98/80/433919880.db2.gz OBMDAVISDPAOCU-WOPDTQHZSA-N 2 2 307.438 3.241 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccc(F)cc3s2)C[C@@H]1C[NH3+] ZINC000422561895 433919885 /nfs/dbraw/zinc/91/98/85/433919885.db2.gz OBMDAVISDPAOCU-WOPDTQHZSA-N 2 2 307.438 3.241 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCO[C@H]21 ZINC000303099608 433919931 /nfs/dbraw/zinc/91/99/31/433919931.db2.gz DSLRCIVILIVKTF-NCXUSEDFSA-N 2 2 314.473 3.054 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCO[C@H]21 ZINC000303099608 433919938 /nfs/dbraw/zinc/91/99/38/433919938.db2.gz DSLRCIVILIVKTF-NCXUSEDFSA-N 2 2 314.473 3.054 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000414925289 433920782 /nfs/dbraw/zinc/92/07/82/433920782.db2.gz IKZXXJXNCRZTAI-INIZCTEOSA-N 2 2 316.424 3.084 20 0 DGADLP Cc1cc(Br)c(C[NH2+]C2(C)CC[NH2+]CC2)s1 ZINC000414933874 433921369 /nfs/dbraw/zinc/92/13/69/433921369.db2.gz DVTVSXCKBUVGDL-UHFFFAOYSA-N 2 2 303.269 3.051 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000414925290 433922342 /nfs/dbraw/zinc/92/23/42/433922342.db2.gz IKZXXJXNCRZTAI-MRXNPFEDSA-N 2 2 316.424 3.084 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414936137 433925132 /nfs/dbraw/zinc/92/51/32/433925132.db2.gz ZAEOKWBEIGAPOI-UONOGXRCSA-N 2 2 317.458 3.082 20 0 DGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296043 433928532 /nfs/dbraw/zinc/92/85/32/433928532.db2.gz QRORFDPPPDYUSY-WMZOPIPTSA-N 2 2 323.525 3.020 20 0 DGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436296043 433928541 /nfs/dbraw/zinc/92/85/41/433928541.db2.gz QRORFDPPPDYUSY-WMZOPIPTSA-N 2 2 323.525 3.020 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccccc2)cc1F ZINC000414946982 433930923 /nfs/dbraw/zinc/93/09/23/433930923.db2.gz KEDIVAXCDUGBDP-MAUKXSAKSA-N 2 2 302.368 3.200 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000414942420 433931106 /nfs/dbraw/zinc/93/11/06/433931106.db2.gz DJLIKCRIRIYBOB-ONGXEEELSA-N 2 2 303.233 3.232 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362863775 433889329 /nfs/dbraw/zinc/88/93/29/433889329.db2.gz LVFJAFLWYYDDOB-MRXNPFEDSA-N 2 2 320.481 3.018 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1OCC ZINC000414860259 433891805 /nfs/dbraw/zinc/89/18/05/433891805.db2.gz CGLJMMSQJGQRDZ-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP CC[NH+](CC)CCCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357299889 433942544 /nfs/dbraw/zinc/94/25/44/433942544.db2.gz JSDOOPWKSLQILO-UHFFFAOYSA-N 2 2 319.424 3.086 20 0 DGADLP CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422713945 433945627 /nfs/dbraw/zinc/94/56/27/433945627.db2.gz QFYAKDBAJZDJET-PWSUYJOCSA-N 2 2 304.463 3.279 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422725609 433948627 /nfs/dbraw/zinc/94/86/27/433948627.db2.gz BZJSTZYONBBPBZ-RYQLBKOJSA-N 3 2 303.494 3.223 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422719126 433949610 /nfs/dbraw/zinc/94/96/10/433949610.db2.gz QTGGHALQNFYFIG-JKIFEVAISA-N 2 2 308.491 3.216 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377684524 433953145 /nfs/dbraw/zinc/95/31/45/433953145.db2.gz XDQWMOXQUASXIR-HXUWFJFHSA-N 3 2 323.484 3.434 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377684524 433953154 /nfs/dbraw/zinc/95/31/54/433953154.db2.gz XDQWMOXQUASXIR-HXUWFJFHSA-N 3 2 323.484 3.434 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422730636 433957619 /nfs/dbraw/zinc/95/76/19/433957619.db2.gz MKJWUCGJHKLRRM-RYRKJORJSA-N 3 2 303.494 3.094 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC000436402211 433958226 /nfs/dbraw/zinc/95/82/26/433958226.db2.gz UQQZTBVLPJZNRB-DYVFJYSZSA-N 2 2 319.880 3.304 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cn(C)c3cc(Cl)ccc23)C1 ZINC000436402211 433958236 /nfs/dbraw/zinc/95/82/36/433958236.db2.gz UQQZTBVLPJZNRB-DYVFJYSZSA-N 2 2 319.880 3.304 20 0 DGADLP C[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000414988514 433958425 /nfs/dbraw/zinc/95/84/25/433958425.db2.gz KYMFDDJSUSLGOL-CABZTGNLSA-N 2 2 321.209 3.125 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000352230471 433992575 /nfs/dbraw/zinc/99/25/75/433992575.db2.gz KNCAMGUFKUFINF-HNNXBMFYSA-N 2 2 306.450 3.058 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000352230471 433992585 /nfs/dbraw/zinc/99/25/85/433992585.db2.gz KNCAMGUFKUFINF-HNNXBMFYSA-N 2 2 306.450 3.058 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340173340 433960292 /nfs/dbraw/zinc/96/02/92/433960292.db2.gz GDZOTIBGWIQSGQ-JKSUJKDBSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340173340 433960300 /nfs/dbraw/zinc/96/03/00/433960300.db2.gz GDZOTIBGWIQSGQ-JKSUJKDBSA-N 2 2 301.459 3.377 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OC ZINC000422737353 433961978 /nfs/dbraw/zinc/96/19/78/433961978.db2.gz XLUVZKVRGOAPRJ-IAGOWNOFSA-N 2 2 312.413 3.328 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OC ZINC000422737355 433963532 /nfs/dbraw/zinc/96/35/32/433963532.db2.gz XLUVZKVRGOAPRJ-SJORKVTESA-N 2 2 312.413 3.328 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000340183242 433964064 /nfs/dbraw/zinc/96/40/64/433964064.db2.gz YLLKMYFOXPYMIF-MJGOQNOKSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C[C@H]1c1ccccc1 ZINC000340183242 433964075 /nfs/dbraw/zinc/96/40/75/433964075.db2.gz YLLKMYFOXPYMIF-MJGOQNOKSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340180928 433964579 /nfs/dbraw/zinc/96/45/79/433964579.db2.gz HTNZNZFXSZQYHB-UYAOXDASSA-N 3 2 313.489 3.038 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340180928 433964589 /nfs/dbraw/zinc/96/45/89/433964589.db2.gz HTNZNZFXSZQYHB-UYAOXDASSA-N 3 2 313.489 3.038 20 0 DGADLP COc1cccc2c(N3CC[C@@H]([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000436429421 433965260 /nfs/dbraw/zinc/96/52/60/433965260.db2.gz DLAJYMAJVSAARS-OAHLLOKOSA-N 2 2 311.429 3.308 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422743671 433966263 /nfs/dbraw/zinc/96/62/63/433966263.db2.gz IWGQBIJMOHFTEQ-VDGAXYAQSA-N 3 2 315.505 3.332 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422743665 433968578 /nfs/dbraw/zinc/96/85/78/433968578.db2.gz IWGNLPDKJNGVAB-HLIPFELVSA-N 3 2 315.505 3.190 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422740713 433968778 /nfs/dbraw/zinc/96/87/78/433968778.db2.gz CIUHWLKZNYVUCF-CVEARBPZSA-N 3 2 324.472 3.370 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422748421 433971586 /nfs/dbraw/zinc/97/15/86/433971586.db2.gz UKYVEKQSPRZNQR-VAMGGRTRSA-N 3 2 324.472 3.273 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1OCCC ZINC000422762941 433981324 /nfs/dbraw/zinc/98/13/24/433981324.db2.gz NCSQWRIFOPVDJM-GDBMZVCRSA-N 2 2 306.450 3.277 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414956726 433936548 /nfs/dbraw/zinc/93/65/48/433936548.db2.gz OYHXBWXMUTUWMV-HRAATJIYSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]1C[N@H+](CCCC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377642885 433936778 /nfs/dbraw/zinc/93/67/78/433936778.db2.gz CMWXANYRVVYOLB-AZUAARDMSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377642885 433936786 /nfs/dbraw/zinc/93/67/86/433936786.db2.gz CMWXANYRVVYOLB-AZUAARDMSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@@H]1C[N@H+](CCCC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377642891 433937424 /nfs/dbraw/zinc/93/74/24/433937424.db2.gz CMWXANYRVVYOLB-UYAOXDASSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377642891 433937431 /nfs/dbraw/zinc/93/74/31/433937431.db2.gz CMWXANYRVVYOLB-UYAOXDASSA-N 2 2 321.553 3.305 20 0 DGADLP CCCOc1c(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cccc1OCC ZINC000414962486 433940373 /nfs/dbraw/zinc/94/03/73/433940373.db2.gz WQHHQYRUWBZZIH-GOEBONIOSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]C3CC[NH+](C4CCC4)CC3)sc2C1 ZINC000345827108 433940480 /nfs/dbraw/zinc/94/04/80/433940480.db2.gz GRUXMGJXRNUNNK-ZDUSSCGKSA-N 2 2 319.518 3.374 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422706992 433940469 /nfs/dbraw/zinc/94/04/69/433940469.db2.gz VOIPPTXUPMCLAO-ZDUSSCGKSA-N 3 2 323.444 3.008 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000422800123 434008187 /nfs/dbraw/zinc/00/81/87/434008187.db2.gz AVJFGBCYESFKSE-OIISXLGYSA-N 2 2 309.523 3.251 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1F ZINC000352257345 434010979 /nfs/dbraw/zinc/01/09/79/434010979.db2.gz SFQBSQMATMBRKD-SNVBAGLBSA-N 2 2 311.401 3.334 20 0 DGADLP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])ccn2)c1C ZINC000422800715 434014478 /nfs/dbraw/zinc/01/44/78/434014478.db2.gz ADFHFARULRYJDY-IAGOWNOFSA-N 2 2 311.429 3.460 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422806872 434022709 /nfs/dbraw/zinc/02/27/09/434022709.db2.gz OCOQYROAYRMVIC-PXNSSMCTSA-N 3 2 315.505 3.149 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841926 434046894 /nfs/dbraw/zinc/04/68/94/434046894.db2.gz XIEAYDDIBTVLFG-JQHSSLGASA-N 3 2 321.534 3.080 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841926 434046906 /nfs/dbraw/zinc/04/69/06/434046906.db2.gz XIEAYDDIBTVLFG-JQHSSLGASA-N 3 2 321.534 3.080 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340272042 434024756 /nfs/dbraw/zinc/02/47/56/434024756.db2.gz HDSSTCYMKCEAHB-WOJBJXKFSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340272042 434024763 /nfs/dbraw/zinc/02/47/63/434024763.db2.gz HDSSTCYMKCEAHB-WOJBJXKFSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000422815944 434026593 /nfs/dbraw/zinc/02/65/93/434026593.db2.gz YRYDZVJSEKCADY-JOYOIKCWSA-N 2 2 304.768 3.029 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000352285195 434026836 /nfs/dbraw/zinc/02/68/36/434026836.db2.gz FAXRTAUUSMZSIJ-IXDOHACOSA-N 2 2 312.461 3.172 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000352285195 434026843 /nfs/dbraw/zinc/02/68/43/434026843.db2.gz FAXRTAUUSMZSIJ-IXDOHACOSA-N 2 2 312.461 3.172 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422816799 434027231 /nfs/dbraw/zinc/02/72/31/434027231.db2.gz BLVFKAGAVIFQQJ-NEWSRXKRSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816799 434027243 /nfs/dbraw/zinc/02/72/43/434027243.db2.gz BLVFKAGAVIFQQJ-NEWSRXKRSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)Oc1ccc2[nH+]ccc(NCCCn3cc[nH+]c3)c2c1 ZINC000450208218 434028298 /nfs/dbraw/zinc/02/82/98/434028298.db2.gz KXYIVMYGFJDFKU-UHFFFAOYSA-N 2 2 310.401 3.143 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000422823167 434028850 /nfs/dbraw/zinc/02/88/50/434028850.db2.gz LIURXWHGKKCEBX-ZHALLVOQSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@H](CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000422823167 434028857 /nfs/dbraw/zinc/02/88/57/434028857.db2.gz LIURXWHGKKCEBX-ZHALLVOQSA-N 3 2 303.494 3.017 20 0 DGADLP Cc1ccc([C@@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+]2CCCC2)cc1 ZINC000422828179 434034850 /nfs/dbraw/zinc/03/48/50/434034850.db2.gz NTZJSDUMTYXJSA-OXJNMPFZSA-N 2 2 324.472 3.290 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)N2CCCC2)cc1 ZINC000422828179 434034861 /nfs/dbraw/zinc/03/48/61/434034861.db2.gz NTZJSDUMTYXJSA-OXJNMPFZSA-N 2 2 324.472 3.290 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000352310795 434037407 /nfs/dbraw/zinc/03/74/07/434037407.db2.gz NPTVOXWPKQQQSG-INIZCTEOSA-N 2 2 323.506 3.301 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000352310795 434037416 /nfs/dbraw/zinc/03/74/16/434037416.db2.gz NPTVOXWPKQQQSG-INIZCTEOSA-N 2 2 323.506 3.301 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000305107281 434040550 /nfs/dbraw/zinc/04/05/50/434040550.db2.gz DLLFNERPTJZRGF-RDJZCZTQSA-N 2 2 314.429 3.052 20 0 DGADLP Cc1cnn([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)c1 ZINC000377788668 433995139 /nfs/dbraw/zinc/99/51/39/433995139.db2.gz XVODECUPURDPMN-IBGZPJMESA-N 2 2 321.428 3.133 20 0 DGADLP Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)c1 ZINC000377788668 433995147 /nfs/dbraw/zinc/99/51/47/433995147.db2.gz XVODECUPURDPMN-IBGZPJMESA-N 2 2 321.428 3.133 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422779916 433995645 /nfs/dbraw/zinc/99/56/45/433995645.db2.gz CGXQXXCZJXIFAF-UXHICEINSA-N 3 2 315.505 3.293 20 0 DGADLP CCC[N@H+](C)[C@H](CNCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000285566432 433996661 /nfs/dbraw/zinc/99/66/61/433996661.db2.gz NJWAJUIVYAWGGJ-OAHLLOKOSA-N 2 2 306.841 3.236 20 0 DGADLP CCC[N@@H+](C)[C@H](CNCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000285566432 433996666 /nfs/dbraw/zinc/99/66/66/433996666.db2.gz NJWAJUIVYAWGGJ-OAHLLOKOSA-N 2 2 306.841 3.236 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C2CC2)s1 ZINC000352245158 433999932 /nfs/dbraw/zinc/99/99/32/433999932.db2.gz DJKIMJXRGXBIJR-KRWDZBQOSA-N 2 2 301.459 3.446 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414952103 293892593 /nfs/dbraw/zinc/89/25/93/293892593.db2.gz QMFSMSGSUJBWER-KSSFIOAISA-N 3 2 321.896 3.035 20 0 DGADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OCC2CC2)c1 ZINC000422868641 434065921 /nfs/dbraw/zinc/06/59/21/434065921.db2.gz VFOBQQBYPQKWOO-CQSZACIVSA-N 2 2 311.429 3.442 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000422866161 434066019 /nfs/dbraw/zinc/06/60/19/434066019.db2.gz PYABIWATXOLKAQ-JSGCOSHPSA-N 2 2 316.367 3.024 20 0 DGADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422870999 434068156 /nfs/dbraw/zinc/06/81/56/434068156.db2.gz YGHCSVOUJMPNNZ-FUHWJXTLSA-N 2 2 320.477 3.031 20 0 DGADLP CC1=CCN(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360801 434084194 /nfs/dbraw/zinc/08/41/94/434084194.db2.gz UXIIOUWKYBBCMO-PMACEKPBSA-N 2 2 313.489 3.064 20 0 DGADLP CC1=CCN(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340360801 434084203 /nfs/dbraw/zinc/08/42/03/434084203.db2.gz UXIIOUWKYBBCMO-PMACEKPBSA-N 2 2 313.489 3.064 20 0 DGADLP COc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)c(OC)c1 ZINC000353376661 434091632 /nfs/dbraw/zinc/09/16/32/434091632.db2.gz CWRMRWNCOZXBQG-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP COc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)c(OC)c1 ZINC000353376661 434091640 /nfs/dbraw/zinc/09/16/40/434091640.db2.gz CWRMRWNCOZXBQG-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000340374750 434092325 /nfs/dbraw/zinc/09/23/25/434092325.db2.gz ZMAGTAXVMZFUJO-ZDUSSCGKSA-N 2 2 305.809 3.072 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000340374750 434092337 /nfs/dbraw/zinc/09/23/37/434092337.db2.gz ZMAGTAXVMZFUJO-ZDUSSCGKSA-N 2 2 305.809 3.072 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)CCCC2)c1 ZINC000422905084 434098030 /nfs/dbraw/zinc/09/80/30/434098030.db2.gz HPUIOOOWXCXVEH-IEBWSBKVSA-N 2 2 316.489 3.163 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C[C@H]1c1ccccc1 ZINC000340305324 434053038 /nfs/dbraw/zinc/05/30/38/434053038.db2.gz HGHDRXCTOUQOMA-BZSNNMDCSA-N 2 2 310.445 3.212 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C[C@H]1c1ccccc1 ZINC000340305324 434053049 /nfs/dbraw/zinc/05/30/49/434053049.db2.gz HGHDRXCTOUQOMA-BZSNNMDCSA-N 2 2 310.445 3.212 20 0 DGADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422849717 434053326 /nfs/dbraw/zinc/05/33/26/434053326.db2.gz CJCIMYAFMCGDID-TZMCWYRMSA-N 2 2 316.367 3.166 20 0 DGADLP Cc1cc(N2CC[NH+](CC3CC(F)(F)C3)CC2)nc(C(C)C)[nH+]1 ZINC000450251855 434056393 /nfs/dbraw/zinc/05/63/93/434056393.db2.gz WCRXVJFLCADFMH-UHFFFAOYSA-N 2 2 324.419 3.076 20 0 DGADLP CO[C@H](C)c1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000422858013 434058211 /nfs/dbraw/zinc/05/82/11/434058211.db2.gz ZFRHYCDWZQAKSO-DMRZNYOFSA-N 2 2 323.506 3.251 20 0 DGADLP CCOC(=O)CCCCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285762999 434058925 /nfs/dbraw/zinc/05/89/25/434058925.db2.gz SJMGVVHAHLXKHE-UHFFFAOYSA-N 2 2 324.465 3.157 20 0 DGADLP CCOC(=O)CCCCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285762999 434058931 /nfs/dbraw/zinc/05/89/31/434058931.db2.gz SJMGVVHAHLXKHE-UHFFFAOYSA-N 2 2 324.465 3.157 20 0 DGADLP CCOC(=O)CCCCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285762999 434058935 /nfs/dbraw/zinc/05/89/35/434058935.db2.gz SJMGVVHAHLXKHE-UHFFFAOYSA-N 2 2 324.465 3.157 20 0 DGADLP CCOC(=O)CCCCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285762999 434058940 /nfs/dbraw/zinc/05/89/40/434058940.db2.gz SJMGVVHAHLXKHE-UHFFFAOYSA-N 2 2 324.465 3.157 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1c(F)cncc1F ZINC000285751443 434059148 /nfs/dbraw/zinc/05/91/48/434059148.db2.gz RZVDEDDKXLAHPU-LBPRGKRZSA-N 2 2 318.371 3.074 20 0 DGADLP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCCC[NH2+]1 ZINC000422911780 434102837 /nfs/dbraw/zinc/10/28/37/434102837.db2.gz LMJMGKOJPICBMH-CHWSQXEVSA-N 2 2 322.403 3.094 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)CCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422926239 434111336 /nfs/dbraw/zinc/11/13/36/434111336.db2.gz CIPZBVWUJPDBHZ-XLIONFOSSA-N 3 2 317.521 3.176 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)CCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422926239 434111345 /nfs/dbraw/zinc/11/13/45/434111345.db2.gz CIPZBVWUJPDBHZ-XLIONFOSSA-N 3 2 317.521 3.176 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000346099582 434116437 /nfs/dbraw/zinc/11/64/37/434116437.db2.gz SCBWZCNRCOWATD-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000346099582 434116442 /nfs/dbraw/zinc/11/64/42/434116442.db2.gz SCBWZCNRCOWATD-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP C[C@H]([NH2+]CCOc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422934839 434116590 /nfs/dbraw/zinc/11/65/90/434116590.db2.gz KGFGHUBRUAWMTG-QFBILLFUSA-N 2 2 310.441 3.463 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2(C3CC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422932502 434117932 /nfs/dbraw/zinc/11/79/32/434117932.db2.gz FZXDXBYJLHZRQR-ZWKOTPCHSA-N 2 2 300.446 3.268 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CC[C@H](C[NH+]4CCCC4)C3)c21 ZINC000450347838 434119455 /nfs/dbraw/zinc/11/94/55/434119455.db2.gz QINSIDROYITPOS-CQSZACIVSA-N 2 2 321.428 3.033 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000497862423 294044051 /nfs/dbraw/zinc/04/40/51/294044051.db2.gz ZQKVESFJPXXLHB-GOSISDBHSA-N 2 2 318.509 3.440 20 0 DGADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1OC1CCCC1 ZINC000422935314 434124655 /nfs/dbraw/zinc/12/46/55/434124655.db2.gz HEFIBYRMOARWEZ-PBHICJAKSA-N 2 2 318.461 3.104 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450361753 434125603 /nfs/dbraw/zinc/12/56/03/434125603.db2.gz OXBIGHYVFBJQIE-CQSZACIVSA-N 2 2 323.444 3.279 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1OC1CCCC1 ZINC000422935316 434123573 /nfs/dbraw/zinc/12/35/73/434123573.db2.gz HEFIBYRMOARWEZ-WMLDXEAASA-N 2 2 318.461 3.104 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)C1 ZINC000500567547 294117632 /nfs/dbraw/zinc/11/76/32/294117632.db2.gz DYBKOGRQOYRVDU-DNNBLBMLSA-N 2 2 306.425 3.010 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)C1 ZINC000500567547 294117634 /nfs/dbraw/zinc/11/76/34/294117634.db2.gz DYBKOGRQOYRVDU-DNNBLBMLSA-N 2 2 306.425 3.010 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000450361753 434125611 /nfs/dbraw/zinc/12/56/11/434125611.db2.gz OXBIGHYVFBJQIE-CQSZACIVSA-N 2 2 323.444 3.279 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000501483713 294141836 /nfs/dbraw/zinc/14/18/36/294141836.db2.gz WTBSEAMRLVDWEU-INIZCTEOSA-N 2 2 314.539 3.141 20 0 DGADLP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346118957 434126553 /nfs/dbraw/zinc/12/65/53/434126553.db2.gz ZHQQIDFTTLAGJD-SJLPKXTDSA-N 2 2 319.518 3.310 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000340433158 434127244 /nfs/dbraw/zinc/12/72/44/434127244.db2.gz IPQUCEPPNNFLMI-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503942002 294205835 /nfs/dbraw/zinc/20/58/35/294205835.db2.gz OOPUQKUSSNSRPM-RKTXRCNFSA-N 2 2 324.415 3.257 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503942002 294205836 /nfs/dbraw/zinc/20/58/36/294205836.db2.gz OOPUQKUSSNSRPM-RKTXRCNFSA-N 2 2 324.415 3.257 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000508552316 294325143 /nfs/dbraw/zinc/32/51/43/294325143.db2.gz MYRVDTQKIDGCAK-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000508552316 294325144 /nfs/dbraw/zinc/32/51/44/294325144.db2.gz MYRVDTQKIDGCAK-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000508552316 294325145 /nfs/dbraw/zinc/32/51/45/294325145.db2.gz MYRVDTQKIDGCAK-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000508552316 294325147 /nfs/dbraw/zinc/32/51/47/294325147.db2.gz MYRVDTQKIDGCAK-AWEZNQCLSA-N 2 2 312.404 3.370 20 0 DGADLP C[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509293900 294346239 /nfs/dbraw/zinc/34/62/39/294346239.db2.gz KLVASDGQJVDKHE-LJQANCHMSA-N 2 2 315.505 3.321 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509293900 294346243 /nfs/dbraw/zinc/34/62/43/294346243.db2.gz KLVASDGQJVDKHE-LJQANCHMSA-N 2 2 315.505 3.321 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000510420849 294382513 /nfs/dbraw/zinc/38/25/13/294382513.db2.gz HCDGPIVGXGIPLZ-IAGOWNOFSA-N 2 2 324.468 3.360 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000510420849 294382516 /nfs/dbraw/zinc/38/25/16/294382516.db2.gz HCDGPIVGXGIPLZ-IAGOWNOFSA-N 2 2 324.468 3.360 20 0 DGADLP CC[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000510562130 294386531 /nfs/dbraw/zinc/38/65/31/294386531.db2.gz ZRDIHIVCUNGVQV-ROUUACIJSA-N 2 2 316.489 3.365 20 0 DGADLP CC[C@@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000510562130 294386534 /nfs/dbraw/zinc/38/65/34/294386534.db2.gz ZRDIHIVCUNGVQV-ROUUACIJSA-N 2 2 316.489 3.365 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC000313749742 434132733 /nfs/dbraw/zinc/13/27/33/434132733.db2.gz LZPDOCLBNZIAQO-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Br ZINC000313749742 434132742 /nfs/dbraw/zinc/13/27/42/434132742.db2.gz LZPDOCLBNZIAQO-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Br ZINC000313749742 434132751 /nfs/dbraw/zinc/13/27/51/434132751.db2.gz LZPDOCLBNZIAQO-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Br ZINC000313749742 434132755 /nfs/dbraw/zinc/13/27/55/434132755.db2.gz LZPDOCLBNZIAQO-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]1 ZINC000422960374 434140285 /nfs/dbraw/zinc/14/02/85/434140285.db2.gz WBUJHYIGCGZWIO-VQISRLSMSA-N 2 2 309.251 3.167 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353449369 434143170 /nfs/dbraw/zinc/14/31/70/434143170.db2.gz QFRCPHVRNAPNKT-UHFFFAOYSA-N 3 2 303.494 3.376 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422971410 434143320 /nfs/dbraw/zinc/14/33/20/434143320.db2.gz IQFXSJOHWDCOOZ-PBHICJAKSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422970243 434144496 /nfs/dbraw/zinc/14/44/96/434144496.db2.gz WAMPUSSOAOIGFP-VHSSKADRSA-N 2 2 314.404 3.197 20 0 DGADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccn1 ZINC000422973803 434149257 /nfs/dbraw/zinc/14/92/57/434149257.db2.gz CUMUNURAXAWVHS-ZOBUZTSGSA-N 2 2 305.466 3.125 20 0 DGADLP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@@H]21 ZINC000450396298 434150779 /nfs/dbraw/zinc/15/07/79/434150779.db2.gz VPOBJOOBXXZRMQ-CJNGLKHVSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CCC[C@@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@@H]21 ZINC000450396298 434150791 /nfs/dbraw/zinc/15/07/91/434150791.db2.gz VPOBJOOBXXZRMQ-CJNGLKHVSA-N 2 2 321.428 3.032 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000314878934 434154791 /nfs/dbraw/zinc/15/47/91/434154791.db2.gz HIERBSVNDYYCQS-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000314878934 434154802 /nfs/dbraw/zinc/15/48/02/434154802.db2.gz HIERBSVNDYYCQS-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCSC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423101456 434220087 /nfs/dbraw/zinc/22/00/87/434220087.db2.gz CYDAGPLFGQBHRI-DLBZAZTESA-N 2 2 308.491 3.220 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000315661890 434171246 /nfs/dbraw/zinc/17/12/46/434171246.db2.gz OUDITSZMRGGTNC-GBESFXJTSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000315661890 434171253 /nfs/dbraw/zinc/17/12/53/434171253.db2.gz OUDITSZMRGGTNC-GBESFXJTSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000315661887 434171392 /nfs/dbraw/zinc/17/13/92/434171392.db2.gz OUDITSZMRGGTNC-FHWLQOOXSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000315661887 434171402 /nfs/dbraw/zinc/17/14/02/434171402.db2.gz OUDITSZMRGGTNC-FHWLQOOXSA-N 2 2 300.446 3.289 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063831 434171845 /nfs/dbraw/zinc/17/18/45/434171845.db2.gz YZYHEMLXTYRSGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000295063831 434171854 /nfs/dbraw/zinc/17/18/54/434171854.db2.gz YZYHEMLXTYRSGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000295063831 434171861 /nfs/dbraw/zinc/17/18/61/434171861.db2.gz YZYHEMLXTYRSGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000295063831 434171872 /nfs/dbraw/zinc/17/18/72/434171872.db2.gz YZYHEMLXTYRSGM-ICSRJNTNSA-N 2 2 312.457 3.338 20 0 DGADLP CC(C)(CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CC1 ZINC000340513202 434172124 /nfs/dbraw/zinc/17/21/24/434172124.db2.gz CVPPTSSLPZICEP-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423043133 434181346 /nfs/dbraw/zinc/18/13/46/434181346.db2.gz NJEDIBHASVZEMD-FHWLQOOXSA-N 2 2 318.461 3.037 20 0 DGADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000363922906 434183792 /nfs/dbraw/zinc/18/37/92/434183792.db2.gz PGPUSKOZWCTGMU-IBGZPJMESA-N 2 2 321.428 3.251 20 0 DGADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000363922906 434183805 /nfs/dbraw/zinc/18/38/05/434183805.db2.gz PGPUSKOZWCTGMU-IBGZPJMESA-N 2 2 321.428 3.251 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H]1C[NH3+] ZINC000430574138 533693840 /nfs/dbraw/zinc/69/38/40/533693840.db2.gz ILCDRHFDLJGMGH-SJKOYZFVSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@@H]1C[NH3+] ZINC000430574138 533693846 /nfs/dbraw/zinc/69/38/46/533693846.db2.gz ILCDRHFDLJGMGH-SJKOYZFVSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000423044003 434187380 /nfs/dbraw/zinc/18/73/80/434187380.db2.gz QLPQIQWIYLLNKX-HKUYNNGSSA-N 2 2 316.489 3.146 20 0 DGADLP CCc1nocc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000353510931 434190381 /nfs/dbraw/zinc/19/03/81/434190381.db2.gz AONLRZORMGFFLA-UHFFFAOYSA-N 2 2 302.422 3.126 20 0 DGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423060100 434199462 /nfs/dbraw/zinc/19/94/62/434199462.db2.gz NOZBWLKMQRHBQH-BBBLOLIVSA-N 2 2 303.269 3.302 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423063224 434199901 /nfs/dbraw/zinc/19/99/01/434199901.db2.gz WAMPUSSOAOIGFP-DOPJRALCSA-N 2 2 314.404 3.197 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000437008459 434202648 /nfs/dbraw/zinc/20/26/48/434202648.db2.gz RQRHRKLZWBVZCA-ROUUACIJSA-N 2 2 313.445 3.029 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437113789 434221318 /nfs/dbraw/zinc/22/13/18/434221318.db2.gz KWAGZPDANYOVJZ-CYBMUJFWSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]C1 ZINC000423085251 434207652 /nfs/dbraw/zinc/20/76/52/434207652.db2.gz JOCHVGLNALGDOB-KXUCPTDWSA-N 2 2 307.385 3.201 20 0 DGADLP C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1c[nH+]ccc1N ZINC000423101053 434218207 /nfs/dbraw/zinc/21/82/07/434218207.db2.gz HVPGRMLXKKGQNH-CYBMUJFWSA-N 2 2 314.408 3.084 20 0 DGADLP Cc1cnc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577947 434242533 /nfs/dbraw/zinc/24/25/33/434242533.db2.gz UFBJOUAKBBPFSS-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577947 434242542 /nfs/dbraw/zinc/24/25/42/434242542.db2.gz UFBJOUAKBBPFSS-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577947 434242552 /nfs/dbraw/zinc/24/25/52/434242552.db2.gz UFBJOUAKBBPFSS-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000353577947 434242560 /nfs/dbraw/zinc/24/25/60/434242560.db2.gz UFBJOUAKBBPFSS-FXAWDEMLSA-N 2 2 324.472 3.270 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423148681 434247730 /nfs/dbraw/zinc/24/77/30/434247730.db2.gz GJTUCOJQDANDDV-PKOBYXMFSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423148681 434247738 /nfs/dbraw/zinc/24/77/38/434247738.db2.gz GJTUCOJQDANDDV-PKOBYXMFSA-N 3 2 315.505 3.019 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931632 434251120 /nfs/dbraw/zinc/25/11/20/434251120.db2.gz PXZZPHIMXZLXSY-INIZCTEOSA-N 2 2 323.868 3.215 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931632 434251126 /nfs/dbraw/zinc/25/11/26/434251126.db2.gz PXZZPHIMXZLXSY-INIZCTEOSA-N 2 2 323.868 3.215 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000321720345 434253330 /nfs/dbraw/zinc/25/33/30/434253330.db2.gz ZINMLTGOYQCBHY-IGNZVWTISA-N 2 2 312.413 3.499 20 0 DGADLP CCc1ccc([C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000346635313 434255030 /nfs/dbraw/zinc/25/50/30/434255030.db2.gz NSDRLXKOKVZFTD-GOSISDBHSA-N 2 2 324.472 3.940 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423181076 434265549 /nfs/dbraw/zinc/26/55/49/434265549.db2.gz FICJPBZSQGPUAR-BBRMVZONSA-N 2 2 315.486 3.445 20 0 DGADLP COc1cccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423190374 434272001 /nfs/dbraw/zinc/27/20/01/434272001.db2.gz NUKMESFPFSFIOD-AZUAARDMSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000353550893 434222058 /nfs/dbraw/zinc/22/20/58/434222058.db2.gz JGVYTAOTNXMGRW-HOTGVXAUSA-N 2 2 320.477 3.217 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000353550893 434222068 /nfs/dbraw/zinc/22/20/68/434222068.db2.gz JGVYTAOTNXMGRW-HOTGVXAUSA-N 2 2 320.477 3.217 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCC(O)CC2)c2ccccc2)CC1 ZINC000286286193 434222432 /nfs/dbraw/zinc/22/24/32/434222432.db2.gz VZFPEIFPVLRICZ-MHJFOBGBSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423107685 434223905 /nfs/dbraw/zinc/22/39/05/434223905.db2.gz QANSZNORVHVURQ-CHWSQXEVSA-N 2 2 316.898 3.081 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295135491 434224220 /nfs/dbraw/zinc/22/42/20/434224220.db2.gz YZNQSSQKSWFJNM-YOEHRIQHSA-N 2 2 315.486 3.104 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295135491 434224229 /nfs/dbraw/zinc/22/42/29/434224229.db2.gz YZNQSSQKSWFJNM-YOEHRIQHSA-N 2 2 315.486 3.104 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110776 434224556 /nfs/dbraw/zinc/22/45/56/434224556.db2.gz VDKHWBWOWKCLQO-RHSMWYFYSA-N 3 2 311.901 3.440 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110776 434224563 /nfs/dbraw/zinc/22/45/63/434224563.db2.gz VDKHWBWOWKCLQO-RHSMWYFYSA-N 3 2 311.901 3.440 20 0 DGADLP C[C@H]([NH2+][C@H](c1cncc(Br)c1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423106121 434225315 /nfs/dbraw/zinc/22/53/15/434225315.db2.gz OHVQJVLBZAROGK-VQISRLSMSA-N 2 2 324.266 3.025 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000423106890 434225347 /nfs/dbraw/zinc/22/53/47/434225347.db2.gz ROOFGUMVZPQWTK-ROUUACIJSA-N 3 2 307.526 3.010 20 0 DGADLP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000423113873 434228599 /nfs/dbraw/zinc/22/85/99/434228599.db2.gz UVMPOZNNJADGCU-LKTVYLICSA-N 2 2 317.260 3.147 20 0 DGADLP Cc1ccc(CCCN2CCC[N@@H+](C3CCCC3)CC2)c[nH+]1 ZINC000353617835 434275794 /nfs/dbraw/zinc/27/57/94/434275794.db2.gz RIGWQZUXCVGNOG-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP Cc1ccc(CCCN2CCC[N@H+](C3CCCC3)CC2)c[nH+]1 ZINC000353617835 434275803 /nfs/dbraw/zinc/27/58/03/434275803.db2.gz RIGWQZUXCVGNOG-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423200912 434280504 /nfs/dbraw/zinc/28/05/04/434280504.db2.gz NJVCREMQQYBTRQ-GOSISDBHSA-N 2 2 302.393 3.123 20 0 DGADLP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000423200888 434281111 /nfs/dbraw/zinc/28/11/11/434281111.db2.gz GVAXEJBBLFJDGG-KBPBESRZSA-N 2 2 317.433 3.278 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358007785 434281566 /nfs/dbraw/zinc/28/15/66/434281566.db2.gz RROJFMUSYKENOB-FCEWJHQRSA-N 2 2 304.478 3.082 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358007785 434281579 /nfs/dbraw/zinc/28/15/79/434281579.db2.gz RROJFMUSYKENOB-FCEWJHQRSA-N 2 2 304.478 3.082 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009251 434282321 /nfs/dbraw/zinc/28/23/21/434282321.db2.gz VEIKWJBLHGREBF-APWZRJJASA-N 2 2 304.478 3.084 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009251 434282328 /nfs/dbraw/zinc/28/23/28/434282328.db2.gz VEIKWJBLHGREBF-APWZRJJASA-N 2 2 304.478 3.084 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2c(Cl)cccc12 ZINC000450594877 434284900 /nfs/dbraw/zinc/28/49/00/434284900.db2.gz LLOUTDFXBMWYII-ZDUSSCGKSA-N 2 2 319.836 3.147 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2c(Cl)cccc12 ZINC000450594877 434284907 /nfs/dbraw/zinc/28/49/07/434284907.db2.gz LLOUTDFXBMWYII-ZDUSSCGKSA-N 2 2 319.836 3.147 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000358022672 434291750 /nfs/dbraw/zinc/29/17/50/434291750.db2.gz XASRWYGAOUUYHM-XFBWCDHKSA-N 2 2 306.837 3.236 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000358022672 434291751 /nfs/dbraw/zinc/29/17/51/434291751.db2.gz XASRWYGAOUUYHM-XFBWCDHKSA-N 2 2 306.837 3.236 20 0 DGADLP Cc1cc(C)cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423223827 434295598 /nfs/dbraw/zinc/29/55/98/434295598.db2.gz ATZGGFRYQIAPMI-MRXNPFEDSA-N 2 2 310.445 3.281 20 0 DGADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)[C@@H](C)C2 ZINC000423228667 434299201 /nfs/dbraw/zinc/29/92/01/434299201.db2.gz DOOCTOUQHWCXRE-MGPUTAFESA-N 2 2 322.456 3.145 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1CCC(F)(F)CC1 ZINC000423231468 434301189 /nfs/dbraw/zinc/30/11/89/434301189.db2.gz LFPQXAWJNWNCLV-ZDUSSCGKSA-N 2 2 324.419 3.117 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423232419 434301449 /nfs/dbraw/zinc/30/14/49/434301449.db2.gz CEQKJPONVQOPOS-DYVFJYSZSA-N 2 2 323.440 3.267 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC000437595151 434301739 /nfs/dbraw/zinc/30/17/39/434301739.db2.gz YBSHFCAYCPSRFP-MRXNPFEDSA-N 2 2 313.420 3.455 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C)cc1 ZINC000423235311 434302892 /nfs/dbraw/zinc/30/28/92/434302892.db2.gz QUQGWXVZAZBUBM-SFHVURJKSA-N 2 2 310.445 3.363 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423237804 434303090 /nfs/dbraw/zinc/30/30/90/434303090.db2.gz IPQJVXVJVIWDLV-DYVFJYSZSA-N 2 2 300.450 3.297 20 0 DGADLP Cc1[nH]ncc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000353650155 434303340 /nfs/dbraw/zinc/30/33/40/434303340.db2.gz ZFZKFBYXNDZALU-UHFFFAOYSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1[nH]ncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000353650155 434303347 /nfs/dbraw/zinc/30/33/47/434303347.db2.gz ZFZKFBYXNDZALU-UHFFFAOYSA-N 2 2 324.472 3.206 20 0 DGADLP CSc1ccccc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000358048177 434307485 /nfs/dbraw/zinc/30/74/85/434307485.db2.gz MDCXNWVNPOYQSH-UHFFFAOYSA-N 2 2 313.470 3.434 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000340700728 434307681 /nfs/dbraw/zinc/30/76/81/434307681.db2.gz JHMHRPGLRRMINQ-IBGZPJMESA-N 2 2 313.420 3.386 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423248671 434310393 /nfs/dbraw/zinc/31/03/93/434310393.db2.gz RXCNDBQCEHBXMY-LRDDRELGSA-N 2 2 318.392 3.194 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423242813 434311033 /nfs/dbraw/zinc/31/10/33/434311033.db2.gz JIJVDAGUTSMTSD-LBPRGKRZSA-N 2 2 303.269 3.161 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C(=O)OC)cc1 ZINC000423252832 434312335 /nfs/dbraw/zinc/31/23/35/434312335.db2.gz UVGHJUMNMFYPDJ-ZWKOTPCHSA-N 2 2 312.413 3.214 20 0 DGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423254337 434313883 /nfs/dbraw/zinc/31/38/83/434313883.db2.gz ZYXYFEGMZNLNGE-CRAIPNDOSA-N 2 2 319.493 3.046 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423250555 434315094 /nfs/dbraw/zinc/31/50/94/434315094.db2.gz ULLFRAUWSRAXDM-GFCCVEGCSA-N 2 2 306.841 3.094 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000423249349 434315251 /nfs/dbraw/zinc/31/52/51/434315251.db2.gz STOFUGXNZHVTOK-YDZRNGNQSA-N 2 2 314.473 3.357 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423277586 434334146 /nfs/dbraw/zinc/33/41/46/434334146.db2.gz QAGKBGKGEVONCF-GGPKGHCWSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423277586 434334156 /nfs/dbraw/zinc/33/41/56/434334156.db2.gz QAGKBGKGEVONCF-GGPKGHCWSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358078563 434322462 /nfs/dbraw/zinc/32/24/62/434322462.db2.gz DDTWBNHZWWHYCJ-OAHLLOKOSA-N 2 2 315.486 3.328 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](Cc1c(C)[nH+]c3ccccn31)CC2 ZINC000340741893 434334275 /nfs/dbraw/zinc/33/42/75/434334275.db2.gz QUEXNZUQUKAOTF-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](Cc1c(C)[nH+]c3ccccn31)CC2 ZINC000340741893 434334280 /nfs/dbraw/zinc/33/42/80/434334280.db2.gz QUEXNZUQUKAOTF-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cnn1-c1ccc(F)cc1 ZINC000423267499 434323424 /nfs/dbraw/zinc/32/34/24/434323424.db2.gz TUPMDMJIAOJBLA-CZUORRHYSA-N 2 2 318.440 3.344 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423262217 434324650 /nfs/dbraw/zinc/32/46/50/434324650.db2.gz MAPBOTQTSAAXKC-WTGUMLROSA-N 3 2 315.505 3.145 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262217 434324659 /nfs/dbraw/zinc/32/46/59/434324659.db2.gz MAPBOTQTSAAXKC-WTGUMLROSA-N 3 2 315.505 3.145 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000423270394 434326665 /nfs/dbraw/zinc/32/66/65/434326665.db2.gz WNHZSBAZFGAPBO-NWDGAFQWSA-N 2 2 314.857 3.381 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423271460 434330955 /nfs/dbraw/zinc/33/09/55/434330955.db2.gz HNVYSJINCOZEQD-QMTHXVAHSA-N 2 2 305.422 3.337 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000358002633 434277030 /nfs/dbraw/zinc/27/70/30/434277030.db2.gz HTRSUCXEFXRQCE-KEYYUXOJSA-N 2 2 318.461 3.227 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000358002633 434277035 /nfs/dbraw/zinc/27/70/35/434277035.db2.gz HTRSUCXEFXRQCE-KEYYUXOJSA-N 2 2 318.461 3.227 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)sc1Br ZINC000423191262 434277067 /nfs/dbraw/zinc/27/70/67/434277067.db2.gz OURQBKBDKSCBTB-VHSXEESVSA-N 2 2 303.269 3.222 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000358002634 434277460 /nfs/dbraw/zinc/27/74/60/434277460.db2.gz HTRSUCXEFXRQCE-ZQIUZPCESA-N 2 2 318.461 3.227 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000358002634 434277468 /nfs/dbraw/zinc/27/74/68/434277468.db2.gz HTRSUCXEFXRQCE-ZQIUZPCESA-N 2 2 318.461 3.227 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423191247 434277813 /nfs/dbraw/zinc/27/78/13/434277813.db2.gz OUBNTBFKWBZHKX-WBVHZDCISA-N 2 2 312.461 3.200 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323783 434333078 /nfs/dbraw/zinc/33/30/78/434333078.db2.gz YPPWGLQIHWAGNA-SNRMKQJTSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323783 434333087 /nfs/dbraw/zinc/33/30/87/434333087.db2.gz YPPWGLQIHWAGNA-SNRMKQJTSA-N 2 2 302.462 3.054 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423190376 434278161 /nfs/dbraw/zinc/27/81/61/434278161.db2.gz NUKMESFPFSFIOD-QUCCMNQESA-N 2 2 310.441 3.321 20 0 DGADLP COC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C(C)C ZINC000357994925 434278606 /nfs/dbraw/zinc/27/86/06/434278606.db2.gz NKTCVEOHMPECMD-SFHVURJKSA-N 2 2 304.478 3.084 20 0 DGADLP COC[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000357994925 434278615 /nfs/dbraw/zinc/27/86/15/434278615.db2.gz NKTCVEOHMPECMD-SFHVURJKSA-N 2 2 304.478 3.084 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)CCC2 ZINC000358169564 434361553 /nfs/dbraw/zinc/36/15/53/434361553.db2.gz PPYSSMCYEGCSRZ-QFBILLFUSA-N 2 2 302.462 3.073 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000423335117 434370353 /nfs/dbraw/zinc/37/03/53/434370353.db2.gz PLBIWIWUPPDSJN-FQEVSTJZSA-N 2 2 312.457 3.218 20 0 DGADLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1ccc(Cl)c(Cl)c1 ZINC000423334600 434372405 /nfs/dbraw/zinc/37/24/05/434372405.db2.gz WTXKFXRYHLFQIM-CQSZACIVSA-N 2 2 305.249 3.270 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000423372780 434391691 /nfs/dbraw/zinc/39/16/91/434391691.db2.gz BIKJFAGKHWQKOK-ZJUUUORDSA-N 2 2 305.285 3.468 20 0 DGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000390913394 434377532 /nfs/dbraw/zinc/37/75/32/434377532.db2.gz QXESEGNRDZRKBF-INIZCTEOSA-N 2 2 317.433 3.421 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000450753226 434386972 /nfs/dbraw/zinc/38/69/72/434386972.db2.gz BINRYVUZBIHTHN-FGTMMUONSA-N 2 2 304.482 3.219 20 0 DGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000450753226 434386978 /nfs/dbraw/zinc/38/69/78/434386978.db2.gz BINRYVUZBIHTHN-FGTMMUONSA-N 2 2 304.482 3.219 20 0 DGADLP CC(C)CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccoc1 ZINC000353688087 434341285 /nfs/dbraw/zinc/34/12/85/434341285.db2.gz OBUZAGAFQRZUTH-GOSISDBHSA-N 2 2 308.466 3.193 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423282015 434341546 /nfs/dbraw/zinc/34/15/46/434341546.db2.gz VRFYRHKAVCESPA-MTQWCTHYSA-N 3 2 315.505 3.003 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423282015 434341556 /nfs/dbraw/zinc/34/15/56/434341556.db2.gz VRFYRHKAVCESPA-MTQWCTHYSA-N 3 2 315.505 3.003 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423288782 434343183 /nfs/dbraw/zinc/34/31/83/434343183.db2.gz UZHLUKOPXMQZHO-SJLPKXTDSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423288782 434343189 /nfs/dbraw/zinc/34/31/89/434343189.db2.gz UZHLUKOPXMQZHO-SJLPKXTDSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000423298360 434349910 /nfs/dbraw/zinc/34/99/10/434349910.db2.gz OEAJHWQYSWWEHW-RISCZKNCSA-N 2 2 302.821 3.274 20 0 DGADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000348487445 434351317 /nfs/dbraw/zinc/35/13/17/434351317.db2.gz BSCDRKFJPULZGI-UHFFFAOYSA-N 2 2 318.368 3.273 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000389851836 434353516 /nfs/dbraw/zinc/35/35/16/434353516.db2.gz WJZUCOUEGYXFNG-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000389851836 434353523 /nfs/dbraw/zinc/35/35/23/434353523.db2.gz WJZUCOUEGYXFNG-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322854 434354790 /nfs/dbraw/zinc/35/47/90/434354790.db2.gz NHPDFAMKAMRIRB-UHDSXZAQSA-N 2 2 322.518 3.329 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423311766 434354826 /nfs/dbraw/zinc/35/48/26/434354826.db2.gz QMIBVTSLZTWEDH-MJVIPROJSA-N 2 2 309.251 3.339 20 0 DGADLP C[C@]1(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CCC[NH2+]C1 ZINC000423324671 434357388 /nfs/dbraw/zinc/35/73/88/434357388.db2.gz BDSPOAGQXBOXED-MOPGFXCFSA-N 2 2 313.420 3.289 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)ccc1OC(F)F ZINC000423323382 434357947 /nfs/dbraw/zinc/35/79/47/434357947.db2.gz JHIRPTXIUKZQCU-SECBINFHSA-N 2 2 304.768 3.473 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000390627166 434360093 /nfs/dbraw/zinc/36/00/93/434360093.db2.gz PSHLUVJLRVHOFE-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000390627166 434360106 /nfs/dbraw/zinc/36/01/06/434360106.db2.gz PSHLUVJLRVHOFE-KBPBESRZSA-N 2 2 317.820 3.036 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000423387605 434395633 /nfs/dbraw/zinc/39/56/33/434395633.db2.gz SOLKUDVSWDUODD-VXGBXAGGSA-N 2 2 304.463 3.162 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)no1 ZINC000519641040 294781876 /nfs/dbraw/zinc/78/18/76/294781876.db2.gz NTYXKUOJJGPIRJ-UKPHBRMFSA-N 2 2 317.408 3.166 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423388910 434397873 /nfs/dbraw/zinc/39/78/73/434397873.db2.gz NDBLHUZOGBHOHZ-SUMWQHHRSA-N 2 2 303.450 3.074 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]CC[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000438082578 434399437 /nfs/dbraw/zinc/39/94/37/434399437.db2.gz UBIDINBZVKJEHZ-UYAOXDASSA-N 2 2 316.489 3.476 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccsc1 ZINC000438090349 434400433 /nfs/dbraw/zinc/40/04/33/434400433.db2.gz AMTRVJRDWUEAEA-CVEARBPZSA-N 2 2 316.474 3.197 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccsc1 ZINC000438090349 434400445 /nfs/dbraw/zinc/40/04/45/434400445.db2.gz AMTRVJRDWUEAEA-CVEARBPZSA-N 2 2 316.474 3.197 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccsc1 ZINC000438090349 434400451 /nfs/dbraw/zinc/40/04/51/434400451.db2.gz AMTRVJRDWUEAEA-CVEARBPZSA-N 2 2 316.474 3.197 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccsc1 ZINC000438090349 434400462 /nfs/dbraw/zinc/40/04/62/434400462.db2.gz AMTRVJRDWUEAEA-CVEARBPZSA-N 2 2 316.474 3.197 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1occc1C(=O)OC ZINC000450769349 434401536 /nfs/dbraw/zinc/40/15/36/434401536.db2.gz XYOCXLYSKHNDEV-GDBMZVCRSA-N 2 2 322.449 3.056 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000287588865 434405670 /nfs/dbraw/zinc/40/56/70/434405670.db2.gz RHXMTTUAMSJOLM-AWEZNQCLSA-N 2 2 318.465 3.332 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000287588865 434405678 /nfs/dbraw/zinc/40/56/78/434405678.db2.gz RHXMTTUAMSJOLM-AWEZNQCLSA-N 2 2 318.465 3.332 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423400784 434407496 /nfs/dbraw/zinc/40/74/96/434407496.db2.gz XDPNZUFURRRXHE-XOKHGSTOSA-N 2 2 310.869 3.018 20 0 DGADLP CC[C@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@@H]1[NH3+] ZINC000394712032 434407912 /nfs/dbraw/zinc/40/79/12/434407912.db2.gz QPECEASNVULHPQ-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1[NH3+] ZINC000394712032 434407920 /nfs/dbraw/zinc/40/79/20/434407920.db2.gz QPECEASNVULHPQ-HZMBPMFUSA-N 2 2 315.230 3.147 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104810 434409875 /nfs/dbraw/zinc/40/98/75/434409875.db2.gz MMSBTRWZTPLKMO-HNNXBMFYSA-N 2 2 312.392 3.477 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000438104810 434409885 /nfs/dbraw/zinc/40/98/85/434409885.db2.gz MMSBTRWZTPLKMO-HNNXBMFYSA-N 2 2 312.392 3.477 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CCC2 ZINC000423414640 434410606 /nfs/dbraw/zinc/41/06/06/434410606.db2.gz CLBHIMPCTYXYJR-WBVHZDCISA-N 2 2 313.470 3.306 20 0 DGADLP CC[N@H+](CC[C@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438109544 434410645 /nfs/dbraw/zinc/41/06/45/434410645.db2.gz KXWRPDILUODHDY-SFHVURJKSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+](CC[C@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438109544 434410653 /nfs/dbraw/zinc/41/06/53/434410653.db2.gz KXWRPDILUODHDY-SFHVURJKSA-N 2 2 317.477 3.047 20 0 DGADLP CCn1cc[nH+]c1[C@@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423407630 434411471 /nfs/dbraw/zinc/41/14/71/434411471.db2.gz WDXBMDWDUBFTSN-RDTXWAMCSA-N 2 2 308.429 3.407 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423413828 434412419 /nfs/dbraw/zinc/41/24/19/434412419.db2.gz BBGPPPIAZYHWOI-VBSBHUPXSA-N 2 2 314.473 3.058 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000395128381 434415157 /nfs/dbraw/zinc/41/51/57/434415157.db2.gz PNBWUFCKFQLXNY-WFASDCNBSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2C)CC[C@@H]1[NH3+] ZINC000395128381 434415163 /nfs/dbraw/zinc/41/51/63/434415163.db2.gz PNBWUFCKFQLXNY-WFASDCNBSA-N 2 2 311.267 3.317 20 0 DGADLP COC[C@]1(C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)CCC[NH2+]1 ZINC000423417720 434416326 /nfs/dbraw/zinc/41/63/26/434416326.db2.gz SSRLTXDOWONAAG-ZWKOTPCHSA-N 2 2 306.450 3.178 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000348632111 434422191 /nfs/dbraw/zinc/42/21/91/434422191.db2.gz GXPDOWBJOXHFBR-ZFWWWQNUSA-N 2 2 318.852 3.046 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340904649 434424890 /nfs/dbraw/zinc/42/48/90/434424890.db2.gz NBKJNNQBRIRTON-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340904649 434424894 /nfs/dbraw/zinc/42/48/94/434424894.db2.gz NBKJNNQBRIRTON-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498375 434435321 /nfs/dbraw/zinc/43/53/21/434435321.db2.gz SIBIFWYESUWOJR-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498375 434435329 /nfs/dbraw/zinc/43/53/29/434435329.db2.gz SIBIFWYESUWOJR-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498375 434435337 /nfs/dbraw/zinc/43/53/37/434435337.db2.gz SIBIFWYESUWOJR-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498375 434435346 /nfs/dbraw/zinc/43/53/46/434435346.db2.gz SIBIFWYESUWOJR-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]CC[C@@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000438220583 434437496 /nfs/dbraw/zinc/43/74/96/434437496.db2.gz TWPPZCPKHOQVAW-IEBWSBKVSA-N 2 2 302.462 3.148 20 0 DGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498954 434459307 /nfs/dbraw/zinc/45/93/07/434459307.db2.gz BOGPLSLLOJDLTD-AYOQOUSVSA-N 2 2 310.441 3.492 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(F)cn1 ZINC000287817595 434461233 /nfs/dbraw/zinc/46/12/33/434461233.db2.gz UZPLRPSAYBSFGW-HUUCEWRRSA-N 2 2 323.456 3.248 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(F)cn1 ZINC000287817595 434461238 /nfs/dbraw/zinc/46/12/38/434461238.db2.gz UZPLRPSAYBSFGW-HUUCEWRRSA-N 2 2 323.456 3.248 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423497209 434462046 /nfs/dbraw/zinc/46/20/46/434462046.db2.gz GFTWSHPBRRINTH-GSEOLPGOSA-N 2 2 316.489 3.434 20 0 DGADLP CC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000423520228 434471816 /nfs/dbraw/zinc/47/18/16/434471816.db2.gz DYMBMHJHAIAAFY-QRQLOZEOSA-N 3 2 315.505 3.004 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(F)cn1 ZINC000287870381 434471849 /nfs/dbraw/zinc/47/18/49/434471849.db2.gz XWUHJVHBWGMLCU-CYBMUJFWSA-N 2 2 309.429 3.002 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423531214 434474733 /nfs/dbraw/zinc/47/47/33/434474733.db2.gz XXJSIYXXZVETAX-BXUZGUMPSA-N 2 2 303.233 3.023 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423531215 434474832 /nfs/dbraw/zinc/47/48/32/434474832.db2.gz XXJSIYXXZVETAX-FZMZJTMJSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000366665771 434478885 /nfs/dbraw/zinc/47/88/85/434478885.db2.gz KGIMUUATEVATNJ-WGGXSYPISA-N 2 2 306.400 3.426 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000366665771 434478893 /nfs/dbraw/zinc/47/88/93/434478893.db2.gz KGIMUUATEVATNJ-WGGXSYPISA-N 2 2 306.400 3.426 20 0 DGADLP C[C@H]1COCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296014303 434479596 /nfs/dbraw/zinc/47/95/96/434479596.db2.gz LVBFZFOPBBYXPE-SWLSCSKDSA-N 2 2 305.809 3.040 20 0 DGADLP Cc1ccc2nc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)cn2c1 ZINC000341004774 434482499 /nfs/dbraw/zinc/48/24/99/434482499.db2.gz CLODNMSSHOJFHG-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399762762 434483363 /nfs/dbraw/zinc/48/33/63/434483363.db2.gz TZXGDBMXUDFFQH-YLJYHZDGSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399762762 434483371 /nfs/dbraw/zinc/48/33/71/434483371.db2.gz TZXGDBMXUDFFQH-YLJYHZDGSA-N 2 2 309.457 3.043 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Br)cc1F ZINC000423551627 434485609 /nfs/dbraw/zinc/48/56/09/434485609.db2.gz JENBQKIKCBNEIJ-ZYHUDNBSSA-N 2 2 315.230 3.381 20 0 DGADLP Clc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CC2)cc1Cl ZINC000423560836 434490338 /nfs/dbraw/zinc/49/03/38/434490338.db2.gz JOZAOTAVNSJIJI-SWLSCSKDSA-N 2 2 315.244 3.023 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC[C@H]2CCOC2)CCC1 ZINC000400711393 434491132 /nfs/dbraw/zinc/49/11/32/434491132.db2.gz SERTWQJMUDLCOM-SFHVURJKSA-N 2 2 302.462 3.057 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC[C@H]2CCOC2)CCC1 ZINC000400711393 434491142 /nfs/dbraw/zinc/49/11/42/434491142.db2.gz SERTWQJMUDLCOM-SFHVURJKSA-N 2 2 302.462 3.057 20 0 DGADLP Fc1ccc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)oc2c1 ZINC000329850072 434492115 /nfs/dbraw/zinc/49/21/15/434492115.db2.gz SASXXBLDRMVTBI-UHFFFAOYSA-N 2 2 300.337 3.070 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062003 434498718 /nfs/dbraw/zinc/49/87/18/434498718.db2.gz UOWWKZWICJKIQN-MELADBBJSA-N 2 2 305.491 3.299 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062003 434498725 /nfs/dbraw/zinc/49/87/25/434498725.db2.gz UOWWKZWICJKIQN-MELADBBJSA-N 2 2 305.491 3.299 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)cn1 ZINC000287812724 434456496 /nfs/dbraw/zinc/45/64/96/434456496.db2.gz USUSUNLZLFSXSD-GFCCVEGCSA-N 2 2 309.429 3.143 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423495011 434456533 /nfs/dbraw/zinc/45/65/33/434456533.db2.gz BGTSHDJWMAJNQJ-AJYBTWMASA-N 2 2 316.489 3.434 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398126701 434457003 /nfs/dbraw/zinc/45/70/03/434457003.db2.gz RQLZIFDMDSVBRB-OTWHNJEPSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398126701 434457008 /nfs/dbraw/zinc/45/70/08/434457008.db2.gz RQLZIFDMDSVBRB-OTWHNJEPSA-N 3 2 303.494 3.003 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348835773 434516843 /nfs/dbraw/zinc/51/68/43/434516843.db2.gz UPCWTHRTFNYPCF-OAHLLOKOSA-N 2 2 322.412 3.465 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360140515 434528171 /nfs/dbraw/zinc/52/81/71/434528171.db2.gz OXQHJMSPELJAAO-OXQOHEQNSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360140515 434528173 /nfs/dbraw/zinc/52/81/73/434528173.db2.gz OXQHJMSPELJAAO-OXQOHEQNSA-N 2 2 309.457 3.390 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000353933155 434532902 /nfs/dbraw/zinc/53/29/02/434532902.db2.gz OQPDMYGKAJQAJW-BFYDXBDKSA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000353933155 434532908 /nfs/dbraw/zinc/53/29/08/434532908.db2.gz OQPDMYGKAJQAJW-BFYDXBDKSA-N 2 2 320.477 3.270 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000353931495 434533126 /nfs/dbraw/zinc/53/31/26/434533126.db2.gz QPPGTLOWGXZQTO-HNXFYBAISA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000353931495 434533130 /nfs/dbraw/zinc/53/31/30/434533130.db2.gz QPPGTLOWGXZQTO-HNXFYBAISA-N 2 2 324.509 3.208 20 0 DGADLP COc1ccc(OC)c(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353944894 434537493 /nfs/dbraw/zinc/53/74/93/434537493.db2.gz MOBXKPQCTGUPJL-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947554 434542443 /nfs/dbraw/zinc/54/24/43/434542443.db2.gz ZSRCLJMHKHXEGG-QAPCUYQASA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947554 434542450 /nfs/dbraw/zinc/54/24/50/434542450.db2.gz ZSRCLJMHKHXEGG-QAPCUYQASA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423804669 434544201 /nfs/dbraw/zinc/54/42/01/434544201.db2.gz CFGIMMHMTQBYNS-CYBMUJFWSA-N 2 2 316.449 3.040 20 0 DGADLP Cc1ccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccccc3)n2c1 ZINC000348907589 434552338 /nfs/dbraw/zinc/55/23/38/434552338.db2.gz XOJFBBCEIVZEPE-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973828 434553518 /nfs/dbraw/zinc/55/35/18/434553518.db2.gz QSNUSZQPLRTJFW-IRXDYDNUSA-N 2 2 318.461 3.373 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000353973828 434553524 /nfs/dbraw/zinc/55/35/24/434553524.db2.gz QSNUSZQPLRTJFW-IRXDYDNUSA-N 2 2 318.461 3.373 20 0 DGADLP Cc1cc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000439129218 434570568 /nfs/dbraw/zinc/57/05/68/434570568.db2.gz QCKWPLQPYHJJHC-RDTXWAMCSA-N 2 2 310.445 3.188 20 0 DGADLP CCC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)OCC ZINC000527742111 295124146 /nfs/dbraw/zinc/12/41/46/295124146.db2.gz DQYULODQKRKTTK-CQSZACIVSA-N 2 2 310.404 3.198 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000527836681 295137666 /nfs/dbraw/zinc/13/76/66/295137666.db2.gz LFGOIDJTKZZQHM-UHFFFAOYSA-N 2 2 320.396 3.079 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000527990793 295161465 /nfs/dbraw/zinc/16/14/65/295161465.db2.gz AOEUZTDTWUPIBL-WMZOPIPTSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(C3CC3)cc2)C[C@H](C)O1 ZINC000459396074 434576760 /nfs/dbraw/zinc/57/67/60/434576760.db2.gz VOOPIZHZPBZGFU-HOTGVXAUSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000423910992 434577852 /nfs/dbraw/zinc/57/78/52/434577852.db2.gz ROIVDNBPSBSCDW-AWEZNQCLSA-N 2 2 311.385 3.120 20 0 DGADLP CC(C)OC1CC([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000459410011 434579883 /nfs/dbraw/zinc/57/98/83/434579883.db2.gz NBTFCSKSXLNVAT-UHFFFAOYSA-N 2 2 305.466 3.331 20 0 DGADLP CCn1cncc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418073473 434580819 /nfs/dbraw/zinc/58/08/19/434580819.db2.gz DAEUFVLJHTXOSY-UHFFFAOYSA-N 2 2 315.808 3.032 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO2)cc1 ZINC000459402701 434580967 /nfs/dbraw/zinc/58/09/67/434580967.db2.gz ZTZYVQALQXQMMG-RTBURBONSA-N 2 2 318.436 3.262 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400330 295208638 /nfs/dbraw/zinc/20/86/38/295208638.db2.gz WGSDLKFKTOBPKB-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400330 295208640 /nfs/dbraw/zinc/20/86/40/295208640.db2.gz WGSDLKFKTOBPKB-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400330 295208641 /nfs/dbraw/zinc/20/86/41/295208641.db2.gz WGSDLKFKTOBPKB-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400330 295208642 /nfs/dbraw/zinc/20/86/42/295208642.db2.gz WGSDLKFKTOBPKB-AWEZNQCLSA-N 2 2 303.475 3.378 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000459426261 434582818 /nfs/dbraw/zinc/58/28/18/434582818.db2.gz DFBXVTRZSWGTMQ-UHFFFAOYSA-N 2 2 312.392 3.031 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000459426261 434582826 /nfs/dbraw/zinc/58/28/26/434582826.db2.gz DFBXVTRZSWGTMQ-UHFFFAOYSA-N 2 2 312.392 3.031 20 0 DGADLP [NH3+]CC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423186948 295234913 /nfs/dbraw/zinc/23/49/13/295234913.db2.gz ORLJNANLFSYWAR-LBPRGKRZSA-N 2 2 303.631 3.102 20 0 DGADLP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354034604 434587599 /nfs/dbraw/zinc/58/75/99/434587599.db2.gz SQSONDHBLAWHEX-SUZKBHRPSA-N 2 2 310.397 3.257 20 0 DGADLP COc1ccccc1/C=C\C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354034604 434587603 /nfs/dbraw/zinc/58/76/03/434587603.db2.gz SQSONDHBLAWHEX-SUZKBHRPSA-N 2 2 310.397 3.257 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCCS2 ZINC000187699941 295274248 /nfs/dbraw/zinc/27/42/48/295274248.db2.gz NBKNYRJAEUNNQN-MRXNPFEDSA-N 2 2 306.475 3.308 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000459480490 434585849 /nfs/dbraw/zinc/58/58/49/434585849.db2.gz ODLICWREUOJOQE-MSOLQXFVSA-N 2 2 313.445 3.141 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000459480490 434585855 /nfs/dbraw/zinc/58/58/55/434585855.db2.gz ODLICWREUOJOQE-MSOLQXFVSA-N 2 2 313.445 3.141 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459570994 434613038 /nfs/dbraw/zinc/61/30/38/434613038.db2.gz QGRSSPOKVNLDQE-DNVCBOLYSA-N 2 2 322.456 3.107 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459570994 434613044 /nfs/dbraw/zinc/61/30/44/434613044.db2.gz QGRSSPOKVNLDQE-DNVCBOLYSA-N 2 2 322.456 3.107 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000354111443 434622630 /nfs/dbraw/zinc/62/26/30/434622630.db2.gz SLXKFNYPMVOQHR-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000354111443 434622633 /nfs/dbraw/zinc/62/26/33/434622633.db2.gz SLXKFNYPMVOQHR-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H]3[C@H]4Cc5ccccc5[C@H]43)c2)c[nH+]1 ZINC000349183495 434628615 /nfs/dbraw/zinc/62/86/15/434628615.db2.gz HKLYABKOFJXFPA-KSZLIROESA-N 2 2 307.422 3.362 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2c[nH+]cn2C(C)C)C1 ZINC000424138657 434632174 /nfs/dbraw/zinc/63/21/74/434632174.db2.gz DLZCLDKGAPFPAN-MRXNPFEDSA-N 2 2 306.498 3.454 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2c[nH+]cn2C(C)C)C1 ZINC000424138657 434632184 /nfs/dbraw/zinc/63/21/84/434632184.db2.gz DLZCLDKGAPFPAN-MRXNPFEDSA-N 2 2 306.498 3.454 20 0 DGADLP CC(C)n1c[nH+]cc1CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000424135764 434633918 /nfs/dbraw/zinc/63/39/18/434633918.db2.gz PMUVBAIJLSYPFX-IBGZPJMESA-N 2 2 312.461 3.391 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c[nH+]1 ZINC000354073152 434603739 /nfs/dbraw/zinc/60/37/39/434603739.db2.gz MQHPVIGHBFUMSD-SFHVURJKSA-N 2 2 313.445 3.067 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000349130428 434611955 /nfs/dbraw/zinc/61/19/55/434611955.db2.gz OHGHDNPKXRJCEO-SFAKSCPVSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000349130428 434611964 /nfs/dbraw/zinc/61/19/64/434611964.db2.gz OHGHDNPKXRJCEO-SFAKSCPVSA-N 2 2 303.356 3.201 20 0 DGADLP CCN(CCC[NH+](CC)CC)Cc1cn2cc(C)ccc2[nH+]1 ZINC000349369929 434694621 /nfs/dbraw/zinc/69/46/21/434694621.db2.gz QNYLXPFYSFLAAJ-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000349373877 434697044 /nfs/dbraw/zinc/69/70/44/434697044.db2.gz XITGNJSADQFWFS-UHFFFAOYSA-N 2 2 304.438 3.224 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000349373877 434697053 /nfs/dbraw/zinc/69/70/53/434697053.db2.gz XITGNJSADQFWFS-UHFFFAOYSA-N 2 2 304.438 3.224 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354176116 434657912 /nfs/dbraw/zinc/65/79/12/434657912.db2.gz JLKDYCAFHSJQRD-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354176116 434657918 /nfs/dbraw/zinc/65/79/18/434657918.db2.gz JLKDYCAFHSJQRD-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354176116 434657923 /nfs/dbraw/zinc/65/79/23/434657923.db2.gz JLKDYCAFHSJQRD-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354176116 434657928 /nfs/dbraw/zinc/65/79/28/434657928.db2.gz JLKDYCAFHSJQRD-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000349379568 434699228 /nfs/dbraw/zinc/69/92/28/434699228.db2.gz BVDPUBLQVZZCTO-UHFFFAOYSA-N 2 2 317.433 3.315 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000349311435 434667656 /nfs/dbraw/zinc/66/76/56/434667656.db2.gz JHHCGEJZCZRCDJ-WEOZKBJRSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000349311435 434667663 /nfs/dbraw/zinc/66/76/63/434667663.db2.gz JHHCGEJZCZRCDJ-WEOZKBJRSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000349311437 434668475 /nfs/dbraw/zinc/66/84/75/434668475.db2.gz JHHCGEJZCZRCDJ-ZTRSQXPZSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000349311437 434668482 /nfs/dbraw/zinc/66/84/82/434668482.db2.gz JHHCGEJZCZRCDJ-ZTRSQXPZSA-N 2 2 302.462 3.195 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220303 434675352 /nfs/dbraw/zinc/67/53/52/434675352.db2.gz FCDSXPHWMKVZMH-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220303 434675356 /nfs/dbraw/zinc/67/53/56/434675356.db2.gz FCDSXPHWMKVZMH-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220303 434675363 /nfs/dbraw/zinc/67/53/63/434675363.db2.gz FCDSXPHWMKVZMH-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2C)C[C@@H]1C ZINC000354220303 434675367 /nfs/dbraw/zinc/67/53/67/434675367.db2.gz FCDSXPHWMKVZMH-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc(C(C)(C)C)nc1 ZINC000349346317 434681853 /nfs/dbraw/zinc/68/18/53/434681853.db2.gz KGPQONUBRKCGKD-UHFFFAOYSA-N 2 2 306.498 3.328 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc(C(C)(C)C)nc1 ZINC000349346317 434681860 /nfs/dbraw/zinc/68/18/60/434681860.db2.gz KGPQONUBRKCGKD-UHFFFAOYSA-N 2 2 306.498 3.328 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000349346147 434682451 /nfs/dbraw/zinc/68/24/51/434682451.db2.gz XGDIBQWCFCHXJN-XMZVIZOASA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000349346147 434682459 /nfs/dbraw/zinc/68/24/59/434682459.db2.gz XGDIBQWCFCHXJN-XMZVIZOASA-N 2 2 302.462 3.368 20 0 DGADLP CC[C@H](C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231912 434753302 /nfs/dbraw/zinc/75/33/02/434753302.db2.gz DKNSSQWMHSHQLJ-HZPDHXFCSA-N 2 2 301.434 3.234 20 0 DGADLP CC[C@H](C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21)OC ZINC000419231912 434753304 /nfs/dbraw/zinc/75/33/04/434753304.db2.gz DKNSSQWMHSHQLJ-HZPDHXFCSA-N 2 2 301.434 3.234 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cs2)cc1 ZINC000424339437 434702912 /nfs/dbraw/zinc/70/29/12/434702912.db2.gz VWRNIAYMQGNFAP-HZPDHXFCSA-N 2 2 301.459 3.478 20 0 DGADLP CC(C)(C)Oc1cccc(C[NH2+]Cc2cccc3[nH+]ccn32)n1 ZINC000354288149 434707656 /nfs/dbraw/zinc/70/76/56/434707656.db2.gz BSLMPPSVBNDGSD-UHFFFAOYSA-N 2 2 310.401 3.196 20 0 DGADLP CC(C)COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000349412236 434710659 /nfs/dbraw/zinc/71/06/59/434710659.db2.gz YGCLXTIWFQXANL-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP CC(C)COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000349412236 434710665 /nfs/dbraw/zinc/71/06/65/434710665.db2.gz YGCLXTIWFQXANL-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000424376156 434714749 /nfs/dbraw/zinc/71/47/49/434714749.db2.gz ORJYKMFMDAKPJH-OKYOBFRVSA-N 2 2 300.446 3.267 20 0 DGADLP C[C@@H]1C[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@@H+]1C ZINC000371485120 434718143 /nfs/dbraw/zinc/71/81/43/434718143.db2.gz KPVRYIIWYLBUPY-WBVHZDCISA-N 2 2 322.456 3.496 20 0 DGADLP C[C@@H]1C[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[N@H+]1C ZINC000371485120 434718149 /nfs/dbraw/zinc/71/81/49/434718149.db2.gz KPVRYIIWYLBUPY-WBVHZDCISA-N 2 2 322.456 3.496 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000354335265 434726962 /nfs/dbraw/zinc/72/69/62/434726962.db2.gz RCXYQRSPQYDEIC-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000354335265 434726968 /nfs/dbraw/zinc/72/69/68/434726968.db2.gz RCXYQRSPQYDEIC-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000411342255 434766130 /nfs/dbraw/zinc/76/61/30/434766130.db2.gz FIAOCTDOEPFVHV-LSDHHAIUSA-N 2 2 319.497 3.151 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000411342255 434766134 /nfs/dbraw/zinc/76/61/34/434766134.db2.gz FIAOCTDOEPFVHV-LSDHHAIUSA-N 2 2 319.497 3.151 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000361023575 434771074 /nfs/dbraw/zinc/77/10/74/434771074.db2.gz NHEZYVNFJOLOHS-UHFFFAOYSA-N 2 2 318.804 3.162 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000360981610 434755767 /nfs/dbraw/zinc/75/57/67/434755767.db2.gz AUGCJDSWCNRUKW-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000360981610 434755770 /nfs/dbraw/zinc/75/57/70/434755770.db2.gz AUGCJDSWCNRUKW-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000361002015 434760975 /nfs/dbraw/zinc/76/09/75/434760975.db2.gz HWCCTAJGNOHSKD-ZYSHUDEJSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000361002015 434760984 /nfs/dbraw/zinc/76/09/84/434760984.db2.gz HWCCTAJGNOHSKD-ZYSHUDEJSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@@H](CC(C)C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000419268717 434761281 /nfs/dbraw/zinc/76/12/81/434761281.db2.gz KXCMZGSDXUXDFT-FHWLQOOXSA-N 2 2 319.493 3.067 20 0 DGADLP CO[C@@H](CC(C)C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000419268717 434761285 /nfs/dbraw/zinc/76/12/85/434761285.db2.gz KXCMZGSDXUXDFT-FHWLQOOXSA-N 2 2 319.493 3.067 20 0 DGADLP CO[C@@H](CC(C)C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000419268717 434761289 /nfs/dbraw/zinc/76/12/89/434761289.db2.gz KXCMZGSDXUXDFT-FHWLQOOXSA-N 2 2 319.493 3.067 20 0 DGADLP CO[C@@H](CC(C)C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000419268717 434761293 /nfs/dbraw/zinc/76/12/93/434761293.db2.gz KXCMZGSDXUXDFT-FHWLQOOXSA-N 2 2 319.493 3.067 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000453053319 434785043 /nfs/dbraw/zinc/78/50/43/434785043.db2.gz FZIJJMGVNGOQQO-FHLIZLRMSA-N 2 2 311.429 3.481 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000453060727 434788651 /nfs/dbraw/zinc/78/86/51/434788651.db2.gz ATQOKRCYYYXOQA-DLBZAZTESA-N 2 2 315.392 3.059 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000361058103 434781189 /nfs/dbraw/zinc/78/11/89/434781189.db2.gz IJMHOFCPHHUSCF-OCCSQVGLSA-N 2 2 306.475 3.304 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1SC ZINC000361058103 434781195 /nfs/dbraw/zinc/78/11/95/434781195.db2.gz IJMHOFCPHHUSCF-OCCSQVGLSA-N 2 2 306.475 3.304 20 0 DGADLP CC(C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453102321 434800438 /nfs/dbraw/zinc/80/04/38/434800438.db2.gz YAYRUVUGOIWKFQ-INIZCTEOSA-N 2 2 320.868 3.093 20 0 DGADLP CC(C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453102321 434800442 /nfs/dbraw/zinc/80/04/42/434800442.db2.gz YAYRUVUGOIWKFQ-INIZCTEOSA-N 2 2 320.868 3.093 20 0 DGADLP CC1(C)CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)O1 ZINC000411502171 434790473 /nfs/dbraw/zinc/79/04/73/434790473.db2.gz IKORDBRCZKZPFW-QGZVFWFLSA-N 2 2 305.466 3.333 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C12CCC2 ZINC000453111233 434804659 /nfs/dbraw/zinc/80/46/59/434804659.db2.gz BMBDNCPHPWBTCY-QZTJIDSGSA-N 2 2 311.429 3.228 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)Cc2cnccn2)[NH+]2CCCC2)cc1 ZINC000453086397 434797240 /nfs/dbraw/zinc/79/72/40/434797240.db2.gz KYTXNSBBYDOYIY-YLJYHZDGSA-N 2 2 324.472 3.143 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113974 434804874 /nfs/dbraw/zinc/80/48/74/434804874.db2.gz RHJNZSGVEGJKSK-ZWKOTPCHSA-N 2 2 321.896 3.017 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453113974 434804877 /nfs/dbraw/zinc/80/48/77/434804877.db2.gz RHJNZSGVEGJKSK-ZWKOTPCHSA-N 2 2 321.896 3.017 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCC2=CCCCCC2)CC1 ZINC000361137397 434808368 /nfs/dbraw/zinc/80/83/68/434808368.db2.gz XZYJLZPYYUFPEA-UHFFFAOYSA-N 2 2 322.493 3.274 20 0 DGADLP CC[NH+](CC)[C@H](CNc1cc[nH+]c(C)n1)c1ccccc1Cl ZINC000361163094 434819614 /nfs/dbraw/zinc/81/96/14/434819614.db2.gz WUSCPROZMBWOLH-MRXNPFEDSA-N 2 2 318.852 3.355 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(C)n1)c1ccccc1Cl ZINC000361163093 434819649 /nfs/dbraw/zinc/81/96/49/434819649.db2.gz WUSCPROZMBWOLH-INIZCTEOSA-N 2 2 318.852 3.355 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201254 434828277 /nfs/dbraw/zinc/82/82/77/434828277.db2.gz WOTVZZFNQMEOOH-JYJNAYRXSA-N 2 2 304.482 3.207 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201254 434828282 /nfs/dbraw/zinc/82/82/82/434828282.db2.gz WOTVZZFNQMEOOH-JYJNAYRXSA-N 2 2 304.482 3.207 20 0 DGADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1cccc2ccccc21 ZINC000411813138 434830427 /nfs/dbraw/zinc/83/04/27/434830427.db2.gz CMHNRANIZVOVTH-UHFFFAOYSA-N 2 2 313.445 3.098 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224967 434833126 /nfs/dbraw/zinc/83/31/26/434833126.db2.gz CHCZNGNSGWHABH-LBPRGKRZSA-N 2 2 307.825 3.429 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248835 434839947 /nfs/dbraw/zinc/83/99/47/434839947.db2.gz FWYZMURDVKORHT-UZLBHIALSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248835 434839952 /nfs/dbraw/zinc/83/99/52/434839952.db2.gz FWYZMURDVKORHT-UZLBHIALSA-N 2 2 312.457 3.337 20 0 DGADLP Cc1ccccc1C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372582711 434841507 /nfs/dbraw/zinc/84/15/07/434841507.db2.gz IEGPJAJNLKKPIZ-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccccc1C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372582711 434841510 /nfs/dbraw/zinc/84/15/10/434841510.db2.gz IEGPJAJNLKKPIZ-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944463 434846737 /nfs/dbraw/zinc/84/67/37/434846737.db2.gz NLZAGDDYQHENHV-WOJBJXKFSA-N 2 2 319.408 3.180 20 0 DGADLP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944463 434846739 /nfs/dbraw/zinc/84/67/39/434846739.db2.gz NLZAGDDYQHENHV-WOJBJXKFSA-N 2 2 319.408 3.180 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(C)(C)C[C@H]3C)c2cc1C ZINC000412037577 434857963 /nfs/dbraw/zinc/85/79/63/434857963.db2.gz IBAYYWHVMQTBAM-CVEARBPZSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(C)(C)C[C@H]3C)c2cc1C ZINC000412037577 434857964 /nfs/dbraw/zinc/85/79/64/434857964.db2.gz IBAYYWHVMQTBAM-CVEARBPZSA-N 2 2 315.461 3.134 20 0 DGADLP COc1cccc2c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000573266434 434885530 /nfs/dbraw/zinc/88/55/30/434885530.db2.gz XDXIVTGYKLEKGM-AWEZNQCLSA-N 2 2 311.429 3.448 20 0 DGADLP COc1cccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000573266434 434885535 /nfs/dbraw/zinc/88/55/35/434885535.db2.gz XDXIVTGYKLEKGM-AWEZNQCLSA-N 2 2 311.429 3.448 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000573410218 434896956 /nfs/dbraw/zinc/89/69/56/434896956.db2.gz TXXWUDLEBUBGPZ-CRAIPNDOSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000573410218 434896961 /nfs/dbraw/zinc/89/69/61/434896961.db2.gz TXXWUDLEBUBGPZ-CRAIPNDOSA-N 2 2 302.462 3.233 20 0 DGADLP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)O[C@H](C)C2 ZINC000573437274 434899188 /nfs/dbraw/zinc/89/91/88/434899188.db2.gz ZDOBQEOPERZGFV-OCBCSQNSSA-N 2 2 324.424 3.253 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc4ncccc34)CC2)c1 ZINC000637951220 434913445 /nfs/dbraw/zinc/91/34/45/434913445.db2.gz OHCUKXGGDOXKKL-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950404 434914876 /nfs/dbraw/zinc/91/48/76/434914876.db2.gz DKNUTQCDZPMWII-IRXDYDNUSA-N 2 2 310.445 3.116 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950404 434914881 /nfs/dbraw/zinc/91/48/81/434914881.db2.gz DKNUTQCDZPMWII-IRXDYDNUSA-N 2 2 310.445 3.116 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@@H]3CCC[C@H]32)cc1 ZINC000574173406 434957688 /nfs/dbraw/zinc/95/76/88/434957688.db2.gz IYQYHRMNISGQQR-GBESFXJTSA-N 2 2 322.456 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@@H]3CCC[C@H]32)cc1 ZINC000574173406 434957693 /nfs/dbraw/zinc/95/76/93/434957693.db2.gz IYQYHRMNISGQQR-GBESFXJTSA-N 2 2 322.456 3.009 20 0 DGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000638122633 434958329 /nfs/dbraw/zinc/95/83/29/434958329.db2.gz NQIJSOJEFFGBSE-RBUKOAKNSA-N 2 2 324.472 3.078 20 0 DGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000638122633 434958333 /nfs/dbraw/zinc/95/83/33/434958333.db2.gz NQIJSOJEFFGBSE-RBUKOAKNSA-N 2 2 324.472 3.078 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135695 434962003 /nfs/dbraw/zinc/96/20/03/434962003.db2.gz VZPCKVJQSWRYEZ-HNNXBMFYSA-N 2 2 309.404 3.183 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135695 434962008 /nfs/dbraw/zinc/96/20/08/434962008.db2.gz VZPCKVJQSWRYEZ-HNNXBMFYSA-N 2 2 309.404 3.183 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135695 434962014 /nfs/dbraw/zinc/96/20/14/434962014.db2.gz VZPCKVJQSWRYEZ-HNNXBMFYSA-N 2 2 309.404 3.183 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638135695 434962017 /nfs/dbraw/zinc/96/20/17/434962017.db2.gz VZPCKVJQSWRYEZ-HNNXBMFYSA-N 2 2 309.404 3.183 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301707 434920765 /nfs/dbraw/zinc/92/07/65/434920765.db2.gz FLBICODJRUIQRL-ZWKOTPCHSA-N 2 2 324.509 3.162 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000522301707 434920771 /nfs/dbraw/zinc/92/07/71/434920771.db2.gz FLBICODJRUIQRL-ZWKOTPCHSA-N 2 2 324.509 3.162 20 0 DGADLP CCCCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000556610569 435014170 /nfs/dbraw/zinc/01/41/70/435014170.db2.gz XFICYHBRNGBWBR-HOTGVXAUSA-N 2 2 305.466 3.293 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1N)Cn1cc[nH+]c1 ZINC000638437513 435030515 /nfs/dbraw/zinc/03/05/15/435030515.db2.gz MUOZSQBPYYCPFS-JTQLQIEISA-N 2 2 313.232 3.198 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000638287440 434998330 /nfs/dbraw/zinc/99/83/30/434998330.db2.gz UEDOKYAJSSTFBW-KVZIAJEVSA-N 2 2 304.478 3.474 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000638288034 434998859 /nfs/dbraw/zinc/99/88/59/434998859.db2.gz YUIWDJXPDMATJG-OAHLLOKOSA-N 2 2 319.449 3.396 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638326727 435005130 /nfs/dbraw/zinc/00/51/30/435005130.db2.gz UAZPBVPNYYCDPR-CJNGLKHVSA-N 2 2 308.416 3.457 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CC1(F)F ZINC000638326727 435005134 /nfs/dbraw/zinc/00/51/34/435005134.db2.gz UAZPBVPNYYCDPR-CJNGLKHVSA-N 2 2 308.416 3.457 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638326733 435005470 /nfs/dbraw/zinc/00/54/70/435005470.db2.gz UAZPBVPNYYCDPR-XJKSGUPXSA-N 2 2 308.416 3.457 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CC1(F)F ZINC000638326733 435005475 /nfs/dbraw/zinc/00/54/75/435005475.db2.gz UAZPBVPNYYCDPR-XJKSGUPXSA-N 2 2 308.416 3.457 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361036 435011684 /nfs/dbraw/zinc/01/16/84/435011684.db2.gz ZLVNWANADNWCAG-KPFFTGBYSA-N 3 2 324.472 3.229 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638361036 435011689 /nfs/dbraw/zinc/01/16/89/435011689.db2.gz ZLVNWANADNWCAG-KPFFTGBYSA-N 3 2 324.472 3.229 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361038 435011717 /nfs/dbraw/zinc/01/17/17/435011717.db2.gz ZLVNWANADNWCAG-YVWKXTFCSA-N 3 2 324.472 3.229 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361038 435011720 /nfs/dbraw/zinc/01/17/20/435011720.db2.gz ZLVNWANADNWCAG-YVWKXTFCSA-N 3 2 324.472 3.229 20 0 DGADLP C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638688585 435068975 /nfs/dbraw/zinc/06/89/75/435068975.db2.gz HBZDEEREOXMOMJ-KDOFPFPSSA-N 2 2 321.428 3.408 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2N)C[N@@H+]1Cc1ccccc1 ZINC000638760022 435084027 /nfs/dbraw/zinc/08/40/27/435084027.db2.gz OJTWQXBSLJDJPC-RHSMWYFYSA-N 2 2 313.420 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2N)C[N@H+]1Cc1ccccc1 ZINC000638760022 435084031 /nfs/dbraw/zinc/08/40/31/435084031.db2.gz OJTWQXBSLJDJPC-RHSMWYFYSA-N 2 2 313.420 3.161 20 0 DGADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000638778428 435087579 /nfs/dbraw/zinc/08/75/79/435087579.db2.gz FLBHXOCOUZLBJN-RTBURBONSA-N 2 2 313.445 3.256 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000558419892 435088479 /nfs/dbraw/zinc/08/84/79/435088479.db2.gz WNZGITQDNLXYNE-CYBMUJFWSA-N 2 2 320.868 3.047 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000558419892 435088482 /nfs/dbraw/zinc/08/84/82/435088482.db2.gz WNZGITQDNLXYNE-CYBMUJFWSA-N 2 2 320.868 3.047 20 0 DGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000556883297 435035464 /nfs/dbraw/zinc/03/54/64/435035464.db2.gz BNEORNSZXWHFOW-HSALFYBXSA-N 2 2 316.489 3.413 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]CCC[C@H]2CCO2)[NH+]2CCCC2)cc1 ZINC000638455984 435035979 /nfs/dbraw/zinc/03/59/79/435035979.db2.gz ZNHLMFBSRUJTMA-RBUKOAKNSA-N 2 2 302.462 3.291 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000578526615 435091593 /nfs/dbraw/zinc/09/15/93/435091593.db2.gz NBSQTRMHTXTHPG-UHFFFAOYSA-N 2 2 318.424 3.177 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000578526615 435091598 /nfs/dbraw/zinc/09/15/98/435091598.db2.gz NBSQTRMHTXTHPG-UHFFFAOYSA-N 2 2 318.424 3.177 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCOc2ccc(Cl)cc2C)n1C ZINC000578523466 435091975 /nfs/dbraw/zinc/09/19/75/435091975.db2.gz DGXBZTGQMIRCFA-UHFFFAOYSA-N 2 2 307.825 3.249 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811453 435092809 /nfs/dbraw/zinc/09/28/09/435092809.db2.gz AKATZBOVVMHRPM-XLIONFOSSA-N 2 2 322.456 3.243 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811453 435092814 /nfs/dbraw/zinc/09/28/14/435092814.db2.gz AKATZBOVVMHRPM-XLIONFOSSA-N 2 2 322.456 3.243 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000531530347 435099133 /nfs/dbraw/zinc/09/91/33/435099133.db2.gz JNTFYIXWEGNUSO-OGWHTMIXSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531530347 435099135 /nfs/dbraw/zinc/09/91/35/435099135.db2.gz JNTFYIXWEGNUSO-OGWHTMIXSA-N 2 2 304.478 3.209 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(CO)cc1)[NH+](C)C ZINC000639091892 435149640 /nfs/dbraw/zinc/14/96/40/435149640.db2.gz SKVSGIGSNPYANB-UZLBHIALSA-N 2 2 312.457 3.268 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000531676704 435109836 /nfs/dbraw/zinc/10/98/36/435109836.db2.gz QECWCDYHUIBFRR-DLBZAZTESA-N 2 2 320.477 3.011 20 0 DGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531676704 435109840 /nfs/dbraw/zinc/10/98/40/435109840.db2.gz QECWCDYHUIBFRR-DLBZAZTESA-N 2 2 320.477 3.011 20 0 DGADLP COCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737608 435109939 /nfs/dbraw/zinc/10/99/39/435109939.db2.gz HDTQAQKAJKJVOY-LEWJYISDSA-N 2 2 324.468 3.281 20 0 DGADLP COCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737608 435109941 /nfs/dbraw/zinc/10/99/41/435109941.db2.gz HDTQAQKAJKJVOY-LEWJYISDSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531950278 435128973 /nfs/dbraw/zinc/12/89/73/435128973.db2.gz DCHCPJMZSHIKKT-BQFCYCMXSA-N 2 2 302.462 3.143 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531950278 435128974 /nfs/dbraw/zinc/12/89/74/435128974.db2.gz DCHCPJMZSHIKKT-BQFCYCMXSA-N 2 2 302.462 3.143 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cccc(F)c1N)[NH+](C)C ZINC000639089351 435150378 /nfs/dbraw/zinc/15/03/78/435150378.db2.gz BPOGSUSHSZZTER-KUHUBIRLSA-N 2 2 315.436 3.497 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000474043677 435144411 /nfs/dbraw/zinc/14/44/11/435144411.db2.gz ZONXYEWTQQFSRR-XWIAVFTESA-N 2 2 302.462 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000474043677 435144412 /nfs/dbraw/zinc/14/44/12/435144412.db2.gz ZONXYEWTQQFSRR-XWIAVFTESA-N 2 2 302.462 3.490 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790623 435191319 /nfs/dbraw/zinc/19/13/19/435191319.db2.gz YTSCDVZRCLPWDW-KBXCAEBGSA-N 2 2 302.437 3.221 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790623 435191321 /nfs/dbraw/zinc/19/13/21/435191321.db2.gz YTSCDVZRCLPWDW-KBXCAEBGSA-N 2 2 302.437 3.221 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1N(C)C ZINC000580024123 435198536 /nfs/dbraw/zinc/19/85/36/435198536.db2.gz GCCNIPWITNNOFR-AWEZNQCLSA-N 2 2 304.413 3.219 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878506 435198591 /nfs/dbraw/zinc/19/85/91/435198591.db2.gz LSXFEEGBLVKECW-DOTOQJQBSA-N 2 2 319.497 3.280 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878506 435198596 /nfs/dbraw/zinc/19/85/96/435198596.db2.gz LSXFEEGBLVKECW-DOTOQJQBSA-N 2 2 319.497 3.280 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CC(n2cccn2)C1)[NH+](C)C ZINC000639092520 435151340 /nfs/dbraw/zinc/15/13/40/435151340.db2.gz VWOYYIJNIOCFCG-LOTPSLMQSA-N 2 2 312.461 3.176 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240587 435151587 /nfs/dbraw/zinc/15/15/87/435151587.db2.gz DIBVWGLCUZPKFK-NVXWUHKLSA-N 2 2 300.446 3.364 20 0 DGADLP CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159221 435152259 /nfs/dbraw/zinc/15/22/59/435152259.db2.gz KSAATLRCEPGJNM-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159221 435152265 /nfs/dbraw/zinc/15/22/65/435152265.db2.gz KSAATLRCEPGJNM-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159221 435152268 /nfs/dbraw/zinc/15/22/68/435152268.db2.gz KSAATLRCEPGJNM-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159221 435152274 /nfs/dbraw/zinc/15/22/74/435152274.db2.gz KSAATLRCEPGJNM-UYAOXDASSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(-c3ccccc3)n[nH]1)CCC2 ZINC000532270058 435153627 /nfs/dbraw/zinc/15/36/27/435153627.db2.gz RRUJRRKTEGYQJH-MRXNPFEDSA-N 2 2 321.428 3.249 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000639111513 435158178 /nfs/dbraw/zinc/15/81/78/435158178.db2.gz YPOGKSLLLMQBCG-UHFFFAOYSA-N 2 2 315.392 3.155 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000639108265 435159366 /nfs/dbraw/zinc/15/93/66/435159366.db2.gz WWVQEJCSSJQYQP-PXNSSMCTSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000639108265 435159372 /nfs/dbraw/zinc/15/93/72/435159372.db2.gz WWVQEJCSSJQYQP-PXNSSMCTSA-N 2 2 313.489 3.119 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1OC ZINC000474866696 435162925 /nfs/dbraw/zinc/16/29/25/435162925.db2.gz DUJDRJOJSVIOMA-JKSUJKDBSA-N 2 2 320.477 3.271 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000474925853 435167202 /nfs/dbraw/zinc/16/72/02/435167202.db2.gz JKBWNJCYPSGHDJ-BTHPGYMESA-N 2 2 316.489 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000474925853 435167209 /nfs/dbraw/zinc/16/72/09/435167209.db2.gz JKBWNJCYPSGHDJ-BTHPGYMESA-N 2 2 316.489 3.302 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCOc2cccc(Cl)c2Cl)n1C ZINC000579614454 435169563 /nfs/dbraw/zinc/16/95/63/435169563.db2.gz DJFMXCIXQLHNHK-UHFFFAOYSA-N 2 2 314.216 3.204 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000579656520 435170691 /nfs/dbraw/zinc/17/06/91/435170691.db2.gz SEUYNKIGYUKJDJ-NRFANRHFSA-N 2 2 306.453 3.266 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000579656520 435170696 /nfs/dbraw/zinc/17/06/96/435170696.db2.gz SEUYNKIGYUKJDJ-NRFANRHFSA-N 2 2 306.453 3.266 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n(C)n1 ZINC000639146207 435171719 /nfs/dbraw/zinc/17/17/19/435171719.db2.gz BCTLXPVAIWPUSJ-FXAWDEMLSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n(C)n1 ZINC000639146207 435171724 /nfs/dbraw/zinc/17/17/24/435171724.db2.gz BCTLXPVAIWPUSJ-FXAWDEMLSA-N 2 2 324.472 3.186 20 0 DGADLP CC[C@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000532514329 435171901 /nfs/dbraw/zinc/17/19/01/435171901.db2.gz NUJSYTXKFMKJQT-HNNXBMFYSA-N 2 2 309.885 3.240 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000532520047 435174076 /nfs/dbraw/zinc/17/40/76/435174076.db2.gz DZYBQNNLPPYENA-CQSZACIVSA-N 2 2 324.428 3.119 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000475091629 435176216 /nfs/dbraw/zinc/17/62/16/435176216.db2.gz JYRWOCJNLQABJE-RDJZCZTQSA-N 2 2 320.477 3.165 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CCSC1 ZINC000532549603 435176966 /nfs/dbraw/zinc/17/69/66/435176966.db2.gz CDFFGYSGVCZCCX-HZPDHXFCSA-N 2 2 310.894 3.354 20 0 DGADLP COC[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CC1 ZINC000639177944 435182803 /nfs/dbraw/zinc/18/28/03/435182803.db2.gz DGNDFMRVCPYKCT-OTWHNJEPSA-N 2 2 311.429 3.126 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000561426004 435216871 /nfs/dbraw/zinc/21/68/71/435216871.db2.gz OYMZSUCRRHDQSJ-SFHVURJKSA-N 2 2 324.472 3.272 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000561468201 435217967 /nfs/dbraw/zinc/21/79/67/435217967.db2.gz PGOSVWZUIXLLPJ-LZJOCLMNSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000561468201 435217974 /nfs/dbraw/zinc/21/79/74/435217974.db2.gz PGOSVWZUIXLLPJ-LZJOCLMNSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000561468199 435218138 /nfs/dbraw/zinc/21/81/38/435218138.db2.gz PGOSVWZUIXLLPJ-CSODHUTKSA-N 2 2 324.468 3.433 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000561468199 435218143 /nfs/dbraw/zinc/21/81/43/435218143.db2.gz PGOSVWZUIXLLPJ-CSODHUTKSA-N 2 2 324.468 3.433 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)c1 ZINC000642341759 435224171 /nfs/dbraw/zinc/22/41/71/435224171.db2.gz VVSUQIGBIQYAFW-IAGOWNOFSA-N 2 2 317.477 3.176 20 0 DGADLP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475667432 435208279 /nfs/dbraw/zinc/20/82/79/435208279.db2.gz GOBNNAJWUJXVHW-RTBURBONSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475667432 435208281 /nfs/dbraw/zinc/20/82/81/435208281.db2.gz GOBNNAJWUJXVHW-RTBURBONSA-N 2 2 318.505 3.428 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000475682165 435208418 /nfs/dbraw/zinc/20/84/18/435208418.db2.gz OGBJGKQHSVVASS-QRQLOZEOSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000475682165 435208422 /nfs/dbraw/zinc/20/84/22/435208422.db2.gz OGBJGKQHSVVASS-QRQLOZEOSA-N 2 2 318.505 3.426 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C[C@]3(C)C(C)C)c2cc1C ZINC000580185771 435211342 /nfs/dbraw/zinc/21/13/42/435211342.db2.gz VWLURRMHZQSJNV-AYOQOUSVSA-N 2 2 315.461 3.038 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]1 ZINC000533389976 435231410 /nfs/dbraw/zinc/23/14/10/435231410.db2.gz LKCJUDUVICXZHL-QGZVFWFLSA-N 2 2 319.412 3.246 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]1 ZINC000533389976 435231415 /nfs/dbraw/zinc/23/14/15/435231415.db2.gz LKCJUDUVICXZHL-QGZVFWFLSA-N 2 2 319.412 3.246 20 0 DGADLP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)on1 ZINC000639323374 435244722 /nfs/dbraw/zinc/24/47/22/435244722.db2.gz CQYLFQBHGVNZNV-UHFFFAOYSA-N 2 2 323.481 3.452 20 0 DGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000639327748 435246619 /nfs/dbraw/zinc/24/66/19/435246619.db2.gz MKTCFAGGYVDEEN-SCTDSRPQSA-N 2 2 306.494 3.354 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000533867100 435260016 /nfs/dbraw/zinc/26/00/16/435260016.db2.gz QQBZYDWLUQOJQZ-AWEZNQCLSA-N 2 2 317.458 3.010 20 0 DGADLP CSc1ccc(OCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000533867100 435260019 /nfs/dbraw/zinc/26/00/19/435260019.db2.gz QQBZYDWLUQOJQZ-AWEZNQCLSA-N 2 2 317.458 3.010 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866692 435260114 /nfs/dbraw/zinc/26/01/14/435260114.db2.gz FNDPVCYUYUBIMQ-KRWDZBQOSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866692 435260118 /nfs/dbraw/zinc/26/01/18/435260118.db2.gz FNDPVCYUYUBIMQ-KRWDZBQOSA-N 2 2 313.445 3.295 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065369 435265169 /nfs/dbraw/zinc/26/51/69/435265169.db2.gz AOJJOXCHHBETCS-OSAQELSMSA-N 2 2 314.351 3.330 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065369 435265172 /nfs/dbraw/zinc/26/51/72/435265172.db2.gz AOJJOXCHHBETCS-OSAQELSMSA-N 2 2 314.351 3.330 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000639375835 435271308 /nfs/dbraw/zinc/27/13/08/435271308.db2.gz GYOFQRCKDMORIP-UHFFFAOYSA-N 2 2 313.489 3.411 20 0 DGADLP COCc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639374686 435271479 /nfs/dbraw/zinc/27/14/79/435271479.db2.gz IZNGWAPVJICZFF-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCOc2ccccc2F)CC1 ZINC000639375430 435272753 /nfs/dbraw/zinc/27/27/53/435272753.db2.gz VJIRRPHNJHXVGU-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP c1ccc(NC2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)[nH+]c1 ZINC000584125604 435276413 /nfs/dbraw/zinc/27/64/13/435276413.db2.gz PLZGSKYCGUDWKF-KRWDZBQOSA-N 2 2 315.461 3.450 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000648401709 435286850 /nfs/dbraw/zinc/28/68/50/435286850.db2.gz FNHJPYWTUCIHBU-XHSDSOJGSA-N 2 2 308.491 3.432 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000648400642 435287909 /nfs/dbraw/zinc/28/79/09/435287909.db2.gz AIITWXUJXRVSEW-IPMKNSEASA-N 2 2 302.462 3.371 20 0 DGADLP CC(C)c1nc(C[N@H+](C)CCCn2cc[nH+]c2)c2ccccn21 ZINC000584236307 435288264 /nfs/dbraw/zinc/28/82/64/435288264.db2.gz BREQKMVONSQCHK-UHFFFAOYSA-N 2 2 311.433 3.176 20 0 DGADLP CC(C)c1nc(C[N@@H+](C)CCCn2cc[nH+]c2)c2ccccn21 ZINC000584236307 435288268 /nfs/dbraw/zinc/28/82/68/435288268.db2.gz BREQKMVONSQCHK-UHFFFAOYSA-N 2 2 311.433 3.176 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648410649 435291136 /nfs/dbraw/zinc/29/11/36/435291136.db2.gz WEUJYDDLSHISQH-RTBURBONSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648410649 435291139 /nfs/dbraw/zinc/29/11/39/435291139.db2.gz WEUJYDDLSHISQH-RTBURBONSA-N 2 2 316.489 3.371 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534572701 435293964 /nfs/dbraw/zinc/29/39/64/435293964.db2.gz OQXIGWSNEGNKQD-CHWSQXEVSA-N 2 2 302.422 3.256 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534572701 435293970 /nfs/dbraw/zinc/29/39/70/435293970.db2.gz OQXIGWSNEGNKQD-CHWSQXEVSA-N 2 2 302.422 3.256 20 0 DGADLP C[NH2+][C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000567166546 435294942 /nfs/dbraw/zinc/29/49/42/435294942.db2.gz DBEFRVNYGLMAST-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP C[NH2+][C@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000567166546 435294946 /nfs/dbraw/zinc/29/49/46/435294946.db2.gz DBEFRVNYGLMAST-HNNXBMFYSA-N 2 2 300.368 3.322 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000648435719 435299423 /nfs/dbraw/zinc/29/94/23/435299423.db2.gz QNBYGAVQTWZUKY-HUUCEWRRSA-N 2 2 303.381 3.059 20 0 DGADLP Cc1cnc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000648462587 435308046 /nfs/dbraw/zinc/30/80/46/435308046.db2.gz ONZAICSBSIYFJW-OAHLLOKOSA-N 2 2 312.442 3.259 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2cc1Cl ZINC000643031487 435262516 /nfs/dbraw/zinc/26/25/16/435262516.db2.gz QDPBFXIQHPKLLA-ZUZCIYMTSA-N 2 2 305.784 3.216 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2cc1Cl ZINC000643031485 435262756 /nfs/dbraw/zinc/26/27/56/435262756.db2.gz QDPBFXIQHPKLLA-BONVTDFDSA-N 2 2 305.784 3.216 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000511649137 435328813 /nfs/dbraw/zinc/32/88/13/435328813.db2.gz OSGSBMAQZJLJHW-WGWKUZNNSA-N 2 2 314.473 3.309 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000511649137 435328821 /nfs/dbraw/zinc/32/88/21/435328821.db2.gz OSGSBMAQZJLJHW-WGWKUZNNSA-N 2 2 314.473 3.309 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(N2CCCC2)n1 ZINC000643471290 435333086 /nfs/dbraw/zinc/33/30/86/435333086.db2.gz OVCBZRLFPCVNBF-RBUKOAKNSA-N 2 2 322.456 3.225 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000643501084 435335794 /nfs/dbraw/zinc/33/57/94/435335794.db2.gz SOZQDBZNGUYOLU-WCQYABFASA-N 2 2 302.340 3.378 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc2)c1 ZINC000643506983 435339429 /nfs/dbraw/zinc/33/94/29/435339429.db2.gz OPXIFNXOGLGHHV-FQEVSTJZSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)F)c1ccccc1 ZINC000567679435 435341716 /nfs/dbraw/zinc/34/17/16/435341716.db2.gz WZIATAOHBJNRAV-IUODEOHRSA-N 2 2 318.383 3.019 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000643537674 435345785 /nfs/dbraw/zinc/34/57/85/435345785.db2.gz NZXMWWADPVEXSL-GMXVVIOVSA-N 2 2 300.830 3.167 20 0 DGADLP Fc1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643538722 435348833 /nfs/dbraw/zinc/34/88/33/435348833.db2.gz SUIGQFZLZMQNJJ-LNLFQRSKSA-N 2 2 316.395 3.399 20 0 DGADLP C[NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000567750939 435351603 /nfs/dbraw/zinc/35/16/03/435351603.db2.gz MLEAOSJJPDXSRP-NSHDSACASA-N 2 2 300.406 3.157 20 0 DGADLP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000512254343 435351726 /nfs/dbraw/zinc/35/17/26/435351726.db2.gz VCUFCHQYRJKRCB-YSDUMNIHSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000512254343 435351731 /nfs/dbraw/zinc/35/17/31/435351731.db2.gz VCUFCHQYRJKRCB-YSDUMNIHSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000512254343 435351736 /nfs/dbraw/zinc/35/17/36/435351736.db2.gz VCUFCHQYRJKRCB-YSDUMNIHSA-N 2 2 314.473 3.262 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000512254343 435351741 /nfs/dbraw/zinc/35/17/41/435351741.db2.gz VCUFCHQYRJKRCB-YSDUMNIHSA-N 2 2 314.473 3.262 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCO[C@@H]1C ZINC000639590800 435357603 /nfs/dbraw/zinc/35/76/03/435357603.db2.gz KDOQPYRISQITOL-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCO[C@@H]1C ZINC000639590800 435357607 /nfs/dbraw/zinc/35/76/07/435357607.db2.gz KDOQPYRISQITOL-QRQLOZEOSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCSC3(CCOCC3)C2)c(C)[nH+]1 ZINC000639590413 435358416 /nfs/dbraw/zinc/35/84/16/435358416.db2.gz WEBOGIFJWAEEJH-UHFFFAOYSA-N 2 2 306.475 3.105 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCSC3(CCOCC3)C2)c(C)[nH+]1 ZINC000639590413 435358418 /nfs/dbraw/zinc/35/84/18/435358418.db2.gz WEBOGIFJWAEEJH-UHFFFAOYSA-N 2 2 306.475 3.105 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)n1C ZINC000568269663 435415547 /nfs/dbraw/zinc/41/55/47/435415547.db2.gz SMXFYMOJPOKNFN-IBGZPJMESA-N 2 2 306.413 3.311 20 0 DGADLP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625945 435369316 /nfs/dbraw/zinc/36/93/16/435369316.db2.gz IESSBABPDYDLRE-RDJZCZTQSA-N 2 2 317.477 3.214 20 0 DGADLP CC1(C)CO[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625945 435369322 /nfs/dbraw/zinc/36/93/22/435369322.db2.gz IESSBABPDYDLRE-RDJZCZTQSA-N 2 2 317.477 3.214 20 0 DGADLP c1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)sn1 ZINC000639641182 435376404 /nfs/dbraw/zinc/37/64/04/435376404.db2.gz FXEYJKZFZZMZLG-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP Fc1ccccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368689 435379980 /nfs/dbraw/zinc/37/99/80/435379980.db2.gz LTJZSQADCYFZNS-UHFFFAOYSA-N 2 2 315.392 3.176 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513205141 435382178 /nfs/dbraw/zinc/38/21/78/435382178.db2.gz ZHCXJHGHBSFRJF-DZFGPLHGSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513205141 435382183 /nfs/dbraw/zinc/38/21/83/435382183.db2.gz ZHCXJHGHBSFRJF-DZFGPLHGSA-N 2 2 324.468 3.363 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400634 435386421 /nfs/dbraw/zinc/38/64/21/435386421.db2.gz ZUFMPTSYFGFSHA-AZUAARDMSA-N 2 2 316.489 3.480 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000513400634 435386429 /nfs/dbraw/zinc/38/64/29/435386429.db2.gz ZUFMPTSYFGFSHA-AZUAARDMSA-N 2 2 316.489 3.480 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C2CC2)c1 ZINC000513527401 435393041 /nfs/dbraw/zinc/39/30/41/435393041.db2.gz SKAKLCHJQBTRHO-HXUWFJFHSA-N 2 2 316.489 3.338 20 0 DGADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000480821270 435398835 /nfs/dbraw/zinc/39/88/35/435398835.db2.gz AMMFFBDIZJEVJG-PWIZWCRZSA-N 2 2 318.505 3.210 20 0 DGADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000480821270 435398838 /nfs/dbraw/zinc/39/88/38/435398838.db2.gz AMMFFBDIZJEVJG-PWIZWCRZSA-N 2 2 318.505 3.210 20 0 DGADLP CC(C)c1[nH+]c(CN[C@H]2C[C@H](C)n3cc[nH+]c32)c2ccccn21 ZINC000568522399 435445669 /nfs/dbraw/zinc/44/56/69/435445669.db2.gz TXERLMKPVISEAV-KBPBESRZSA-N 2 2 309.417 3.450 20 0 DGADLP CO[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000639983619 435480441 /nfs/dbraw/zinc/48/04/41/435480441.db2.gz KUDHPYXFTIUSQD-GOSISDBHSA-N 2 2 320.452 3.464 20 0 DGADLP CCOCC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135630 435453544 /nfs/dbraw/zinc/45/35/44/435453544.db2.gz NZVHPRIWNFHDKW-SFHVURJKSA-N 2 2 304.478 3.086 20 0 DGADLP CCOCC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135630 435453549 /nfs/dbraw/zinc/45/35/49/435453549.db2.gz NZVHPRIWNFHDKW-SFHVURJKSA-N 2 2 304.478 3.086 20 0 DGADLP C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000644546443 435454096 /nfs/dbraw/zinc/45/40/96/435454096.db2.gz XVBHDPPCNPODRW-MRXNPFEDSA-N 2 2 321.424 3.069 20 0 DGADLP c1cn(Cc2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)c[nH+]1 ZINC000515334752 435476084 /nfs/dbraw/zinc/47/60/84/435476084.db2.gz ODDPFZHBVGMDOH-UHFFFAOYSA-N 2 2 317.436 3.436 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000648815997 435428076 /nfs/dbraw/zinc/42/80/76/435428076.db2.gz JNTWCJVPPSZAJH-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000648815997 435428081 /nfs/dbraw/zinc/42/80/81/435428081.db2.gz JNTWCJVPPSZAJH-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CCc1cc(CCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)on1 ZINC000639983374 435480059 /nfs/dbraw/zinc/48/00/59/435480059.db2.gz FZOUIXXQRDMYMN-UHFFFAOYSA-N 2 2 305.466 3.120 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)c2)c[nH+]1 ZINC000568392594 435431604 /nfs/dbraw/zinc/43/16/04/435431604.db2.gz MMCUPLJWRQRRRP-WMLDXEAASA-N 2 2 317.458 3.325 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)c2)c[nH+]1 ZINC000568392594 435431611 /nfs/dbraw/zinc/43/16/11/435431611.db2.gz MMCUPLJWRQRRRP-WMLDXEAASA-N 2 2 317.458 3.325 20 0 DGADLP Cc1cc(N2CCC(C[NH+](C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000481688231 435437975 /nfs/dbraw/zinc/43/79/75/435437975.db2.gz CDZQTTUGWSGAIR-UHFFFAOYSA-N 2 2 301.409 3.460 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000639981589 435480224 /nfs/dbraw/zinc/48/02/24/435480224.db2.gz LWBLMOWUVCGAFW-UHFFFAOYSA-N 2 2 306.425 3.155 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000569245902 435515280 /nfs/dbraw/zinc/51/52/80/435515280.db2.gz PYDBMLKYJSSOBN-MVJTYMMSSA-N 2 2 306.425 3.359 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964790 435488680 /nfs/dbraw/zinc/48/86/80/435488680.db2.gz SZOCYTBOVKKKQJ-FCEWJHQRSA-N 2 2 318.505 3.472 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482964790 435488682 /nfs/dbraw/zinc/48/86/82/435488682.db2.gz SZOCYTBOVKKKQJ-FCEWJHQRSA-N 2 2 318.505 3.472 20 0 DGADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000515667931 435497960 /nfs/dbraw/zinc/49/79/60/435497960.db2.gz YGRMTOOAVPBTBF-OAHLLOKOSA-N 2 2 318.852 3.137 20 0 DGADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000515667931 435497964 /nfs/dbraw/zinc/49/79/64/435497964.db2.gz YGRMTOOAVPBTBF-OAHLLOKOSA-N 2 2 318.852 3.137 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cscn1 ZINC000516759997 435550082 /nfs/dbraw/zinc/55/00/82/435550082.db2.gz ILWBKMCTNIRAFI-IVMMDQJWSA-N 2 2 319.449 3.326 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)c(Br)c1 ZINC000516815240 435553781 /nfs/dbraw/zinc/55/37/81/435553781.db2.gz KOODDSYDFGMAEU-UHFFFAOYSA-N 2 2 319.674 3.486 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)c(Br)c1 ZINC000516815240 435553787 /nfs/dbraw/zinc/55/37/87/435553787.db2.gz KOODDSYDFGMAEU-UHFFFAOYSA-N 2 2 319.674 3.486 20 0 DGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000569735251 435556877 /nfs/dbraw/zinc/55/68/77/435556877.db2.gz QBTFHBHBFUNILY-MSOLQXFVSA-N 2 2 309.542 3.207 20 0 DGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](CCC1CCCC1)C(C)(C)C ZINC000569735251 435556882 /nfs/dbraw/zinc/55/68/82/435556882.db2.gz QBTFHBHBFUNILY-MSOLQXFVSA-N 2 2 309.542 3.207 20 0 DGADLP CC(C)([NH3+])CCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000649315054 435562635 /nfs/dbraw/zinc/56/26/35/435562635.db2.gz GWXLGEFBFKWNOT-UHFFFAOYSA-N 2 2 300.406 3.286 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NCCn3c(C)[nH+]c4ccccc43)c2c1C ZINC000645102491 435566308 /nfs/dbraw/zinc/56/63/08/435566308.db2.gz VOSCKYGYWQIENQ-UHFFFAOYSA-N 2 2 320.400 3.345 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)n1C ZINC000516980935 435568446 /nfs/dbraw/zinc/56/84/46/435568446.db2.gz DZLVQXPKKINBRD-PKOBYXMFSA-N 2 2 313.445 3.294 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC3CCN(c4cccc[nH+]4)CC3)c2c1C ZINC000645126203 435573792 /nfs/dbraw/zinc/57/37/92/435573792.db2.gz VAGDKCZOZWRFOO-UHFFFAOYSA-N 2 2 322.416 3.051 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000485727521 435578326 /nfs/dbraw/zinc/57/83/26/435578326.db2.gz WHAXBHRXCCOHRI-DAXOMENPSA-N 2 2 312.379 3.405 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000485727521 435578331 /nfs/dbraw/zinc/57/83/31/435578331.db2.gz WHAXBHRXCCOHRI-DAXOMENPSA-N 2 2 312.379 3.405 20 0 DGADLP c1nc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898672 435579427 /nfs/dbraw/zinc/57/94/27/435579427.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc2[nH]1 ZINC000539898672 435579429 /nfs/dbraw/zinc/57/94/29/435579429.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898672 435579431 /nfs/dbraw/zinc/57/94/31/435579431.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2[nH]1 ZINC000539898672 435579434 /nfs/dbraw/zinc/57/94/34/435579434.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898672 435579436 /nfs/dbraw/zinc/57/94/36/435579436.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2[nH]1 ZINC000539898672 435579438 /nfs/dbraw/zinc/57/94/38/435579438.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898672 435579440 /nfs/dbraw/zinc/57/94/40/435579440.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP c1nc2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2[nH]1 ZINC000539898672 435579442 /nfs/dbraw/zinc/57/94/42/435579442.db2.gz BLYQQEYDOVUZTH-KXBFYZLASA-N 2 2 310.445 3.012 20 0 DGADLP Fc1cccc(-c2cnc(C[N@H+](C3CC3)C3CC[NH2+]CC3)o2)c1 ZINC000649408918 435580628 /nfs/dbraw/zinc/58/06/28/435580628.db2.gz JBYLCQJYRQWBIV-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Fc1cccc(-c2cnc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)o2)c1 ZINC000649408918 435580632 /nfs/dbraw/zinc/58/06/32/435580632.db2.gz JBYLCQJYRQWBIV-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415126 435582264 /nfs/dbraw/zinc/58/22/64/435582264.db2.gz LLBPJPLDABDCDI-KGLIPLIRSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415126 435582271 /nfs/dbraw/zinc/58/22/71/435582271.db2.gz LLBPJPLDABDCDI-KGLIPLIRSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000570030221 435582437 /nfs/dbraw/zinc/58/24/37/435582437.db2.gz VQXPXZMLHNRRPN-JXFKEZNVSA-N 2 2 314.473 3.249 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000570030221 435582442 /nfs/dbraw/zinc/58/24/42/435582442.db2.gz VQXPXZMLHNRRPN-JXFKEZNVSA-N 2 2 314.473 3.249 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000517223362 435583028 /nfs/dbraw/zinc/58/30/28/435583028.db2.gz UTYFDGWOGBATOG-ICSRJNTNSA-N 2 2 323.440 3.228 20 0 DGADLP CN1Cc2ccccc2[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000540155807 435590769 /nfs/dbraw/zinc/59/07/69/435590769.db2.gz LJSTULKSMGEVQY-FQEVSTJZSA-N 2 2 313.489 3.170 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484487157 435545356 /nfs/dbraw/zinc/54/53/56/435545356.db2.gz LUYSZSPRSYYHPH-ROUUACIJSA-N 2 2 324.509 3.420 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516659672 435546355 /nfs/dbraw/zinc/54/63/55/435546355.db2.gz AGWRURQYWKSJEE-MRXNPFEDSA-N 2 2 312.461 3.490 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(Br)c2C)n1C ZINC000569622432 435546438 /nfs/dbraw/zinc/54/64/38/435546438.db2.gz ITOHUPVTQFMHBL-UHFFFAOYSA-N 2 2 308.223 3.089 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCN(Cc2cc(OC(C)C)cc[nH+]2)C1 ZINC000649545351 435619765 /nfs/dbraw/zinc/61/97/65/435619765.db2.gz CFPGLRUYDTUEBG-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649545351 435619768 /nfs/dbraw/zinc/61/97/68/435619768.db2.gz CFPGLRUYDTUEBG-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000649545351 435619774 /nfs/dbraw/zinc/61/97/74/435619774.db2.gz CFPGLRUYDTUEBG-INIZCTEOSA-N 2 2 305.466 3.033 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC(C)C ZINC000649574342 435630806 /nfs/dbraw/zinc/63/08/06/435630806.db2.gz HXYPZGQPQWNUDF-GOEBONIOSA-N 2 2 306.450 3.227 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC(C)C ZINC000649574342 435630810 /nfs/dbraw/zinc/63/08/10/435630810.db2.gz HXYPZGQPQWNUDF-GOEBONIOSA-N 2 2 306.450 3.227 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000570579099 435632852 /nfs/dbraw/zinc/63/28/52/435632852.db2.gz BENWXCAJNCZVKU-CYBMUJFWSA-N 2 2 305.809 3.072 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284887 435596078 /nfs/dbraw/zinc/59/60/78/435596078.db2.gz KSLGHQUOHJTDOH-WBVHZDCISA-N 2 2 320.440 3.243 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284887 435596082 /nfs/dbraw/zinc/59/60/82/435596082.db2.gz KSLGHQUOHJTDOH-WBVHZDCISA-N 2 2 320.440 3.243 20 0 DGADLP CC(C)c1noc([C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532402 435598226 /nfs/dbraw/zinc/59/82/26/435598226.db2.gz ZPLJGGHYSGELFW-OAHLLOKOSA-N 2 2 308.470 3.452 20 0 DGADLP CC(C)c1noc([C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532402 435598231 /nfs/dbraw/zinc/59/82/31/435598231.db2.gz ZPLJGGHYSGELFW-OAHLLOKOSA-N 2 2 308.470 3.452 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000570301538 435607115 /nfs/dbraw/zinc/60/71/15/435607115.db2.gz CXPOONPXZNFZLH-DFQSSKMNSA-N 2 2 324.472 3.190 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000570301538 435607116 /nfs/dbraw/zinc/60/71/16/435607116.db2.gz CXPOONPXZNFZLH-DFQSSKMNSA-N 2 2 324.472 3.190 20 0 DGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000570632775 435637451 /nfs/dbraw/zinc/63/74/51/435637451.db2.gz JAQCRCSAFANURG-SJLPKXTDSA-N 2 2 320.502 3.100 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000645408821 435638451 /nfs/dbraw/zinc/63/84/51/435638451.db2.gz HIGXLWLNYTVHRU-HNNXBMFYSA-N 2 2 314.539 3.141 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106342 435678185 /nfs/dbraw/zinc/67/81/85/435678185.db2.gz GJDUQBCECCFUEZ-MOPGFXCFSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106342 435678188 /nfs/dbraw/zinc/67/81/88/435678188.db2.gz GJDUQBCECCFUEZ-MOPGFXCFSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106342 435678190 /nfs/dbraw/zinc/67/81/90/435678190.db2.gz GJDUQBCECCFUEZ-MOPGFXCFSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000571106342 435678194 /nfs/dbraw/zinc/67/81/94/435678194.db2.gz GJDUQBCECCFUEZ-MOPGFXCFSA-N 2 2 316.489 3.305 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000571134740 435680994 /nfs/dbraw/zinc/68/09/94/435680994.db2.gz PSUYOCBDGNURSC-CYBMUJFWSA-N 2 2 309.417 3.253 20 0 DGADLP CC(C)[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000571134740 435681001 /nfs/dbraw/zinc/68/10/01/435681001.db2.gz PSUYOCBDGNURSC-CYBMUJFWSA-N 2 2 309.417 3.253 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000571320284 435696109 /nfs/dbraw/zinc/69/61/09/435696109.db2.gz KFFVZWMNLMUGSI-UHFFFAOYSA-N 2 2 318.424 3.177 20 0 DGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000641113061 435693609 /nfs/dbraw/zinc/69/36/09/435693609.db2.gz VNDOIGNSCSSKFQ-QGZVFWFLSA-N 2 2 301.438 3.063 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000519677209 435699277 /nfs/dbraw/zinc/69/92/77/435699277.db2.gz WSRUZYFDMWNQOU-KBPBESRZSA-N 2 2 312.404 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000519677210 435699679 /nfs/dbraw/zinc/69/96/79/435699679.db2.gz WSRUZYFDMWNQOU-OKILXGFUSA-N 2 2 312.404 3.213 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)F)cc2)C[C@H](C)O1 ZINC000519677210 435699682 /nfs/dbraw/zinc/69/96/82/435699682.db2.gz WSRUZYFDMWNQOU-OKILXGFUSA-N 2 2 312.404 3.213 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000520230722 435729948 /nfs/dbraw/zinc/72/99/48/435729948.db2.gz ZYRPWPGLZQSCHF-QUCCMNQESA-N 2 2 322.452 3.404 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000520230722 435729950 /nfs/dbraw/zinc/72/99/50/435729950.db2.gz ZYRPWPGLZQSCHF-QUCCMNQESA-N 2 2 322.452 3.404 20 0 DGADLP C1C[C@@H]([NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CO1 ZINC000655698798 435733426 /nfs/dbraw/zinc/73/34/26/435733426.db2.gz WAIVHLBLEKDPIH-PSBWJHGTSA-N 2 2 306.494 3.188 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000655704577 435735896 /nfs/dbraw/zinc/73/58/96/435735896.db2.gz ZSAOPVXQKMBKKZ-QFBILLFUSA-N 2 2 302.462 3.207 20 0 DGADLP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701999 435736270 /nfs/dbraw/zinc/73/62/70/435736270.db2.gz MVRUODMLGPQVEU-KBXCAEBGSA-N 2 2 320.864 3.170 20 0 DGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655705059 435739815 /nfs/dbraw/zinc/73/98/15/435739815.db2.gz VBGXUNPDXGUOCA-ICSRJNTNSA-N 2 2 314.473 3.297 20 0 DGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708635 435740188 /nfs/dbraw/zinc/74/01/88/435740188.db2.gz RLSSLGHXYMWYBQ-UHOSZYNNSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000641422399 435740785 /nfs/dbraw/zinc/74/07/85/435740785.db2.gz XLDBENQDWXFWJE-CRAIPNDOSA-N 2 2 311.429 3.039 20 0 DGADLP C[C@@H]1C[C@H](Nc2cc(CO)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000641422399 435740791 /nfs/dbraw/zinc/74/07/91/435740791.db2.gz XLDBENQDWXFWJE-CRAIPNDOSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655716173 435744836 /nfs/dbraw/zinc/74/48/36/435744836.db2.gz QUIOGTYVRKILFM-JKSUJKDBSA-N 2 2 319.518 3.443 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000655718824 435746855 /nfs/dbraw/zinc/74/68/55/435746855.db2.gz NVCRQXGEDPDHQG-MRXNPFEDSA-N 2 2 323.444 3.112 20 0 DGADLP Cc1c2ccccc2oc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716330 435746993 /nfs/dbraw/zinc/74/69/93/435746993.db2.gz RWCVGIUHOVZMET-INIZCTEOSA-N 2 2 314.429 3.084 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cn2ccccc2n1 ZINC000655718739 435748657 /nfs/dbraw/zinc/74/86/57/435748657.db2.gz LVQCQPQBPHKYBU-OAHLLOKOSA-N 2 2 312.461 3.392 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655734179 435759039 /nfs/dbraw/zinc/75/90/39/435759039.db2.gz BIRGXUDSXVJXGL-VKJFTORMSA-N 2 2 319.518 3.481 20 0 DGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000519772428 435706477 /nfs/dbraw/zinc/70/64/77/435706477.db2.gz UHRGIDXRASAOFB-KXBFYZLASA-N 2 2 323.440 3.250 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1CCC1 ZINC000519815642 435712188 /nfs/dbraw/zinc/71/21/88/435712188.db2.gz QNZMKJHYEGSYDU-CYBMUJFWSA-N 2 2 312.417 3.136 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1CCC1 ZINC000519815642 435712193 /nfs/dbraw/zinc/71/21/93/435712193.db2.gz QNZMKJHYEGSYDU-CYBMUJFWSA-N 2 2 312.417 3.136 20 0 DGADLP C1CC([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCC2)C1 ZINC000655779955 435793958 /nfs/dbraw/zinc/79/39/58/435793958.db2.gz VBMULNGCFNPSFJ-MOPGFXCFSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693650 435793979 /nfs/dbraw/zinc/79/39/79/435793979.db2.gz YMVRDCKOKKNHEG-APWZRJJASA-N 3 2 307.526 3.103 20 0 DGADLP Cc1cc(C[NH2+]C2CC([NH+](C)C)C2)sc1Br ZINC000655792458 435800986 /nfs/dbraw/zinc/80/09/86/435800986.db2.gz YYBOEZICLXSXHM-UHFFFAOYSA-N 2 2 303.269 3.001 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(-c2ccccc2)n1 ZINC000641736248 435805884 /nfs/dbraw/zinc/80/58/84/435805884.db2.gz CRKZSSOMNMLHLG-KXBFYZLASA-N 2 2 324.472 3.142 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(-c2ccccc2)n1 ZINC000641736248 435805889 /nfs/dbraw/zinc/80/58/89/435805889.db2.gz CRKZSSOMNMLHLG-KXBFYZLASA-N 2 2 324.472 3.142 20 0 DGADLP Clc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000550659660 435807343 /nfs/dbraw/zinc/80/73/43/435807343.db2.gz BKCLRKXKSNDZSI-KRWDZBQOSA-N 2 2 308.853 3.027 20 0 DGADLP Clc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000550659660 435807349 /nfs/dbraw/zinc/80/73/49/435807349.db2.gz BKCLRKXKSNDZSI-KRWDZBQOSA-N 2 2 308.853 3.027 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000651736193 435811875 /nfs/dbraw/zinc/81/18/75/435811875.db2.gz PUZKYPZAJATHIK-QRWLVFNGSA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000651736193 435811880 /nfs/dbraw/zinc/81/18/80/435811880.db2.gz PUZKYPZAJATHIK-QRWLVFNGSA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000651736191 435812638 /nfs/dbraw/zinc/81/26/38/435812638.db2.gz PUZKYPZAJATHIK-FOIQADDNSA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000651736191 435812644 /nfs/dbraw/zinc/81/26/44/435812644.db2.gz PUZKYPZAJATHIK-FOIQADDNSA-N 2 2 324.472 3.061 20 0 DGADLP CSc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)o1 ZINC000641767797 435815891 /nfs/dbraw/zinc/81/58/91/435815891.db2.gz ONIHCJWSQUBLPH-UHFFFAOYSA-N 2 2 301.415 3.290 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)CCC(C)C)n1-c1ccccc1 ZINC000641776321 435819436 /nfs/dbraw/zinc/81/94/36/435819436.db2.gz YGAPUFCOSWZBCR-MRXNPFEDSA-N 2 2 301.434 3.067 20 0 DGADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473669 435764693 /nfs/dbraw/zinc/76/46/93/435764693.db2.gz SIJSPHOHEAZUDU-QUCCMNQESA-N 2 2 316.489 3.194 20 0 DGADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473669 435764697 /nfs/dbraw/zinc/76/46/97/435764697.db2.gz SIJSPHOHEAZUDU-QUCCMNQESA-N 2 2 316.489 3.194 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646820 435775704 /nfs/dbraw/zinc/77/57/04/435775704.db2.gz SJYPFMKUEAEKBN-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646820 435775710 /nfs/dbraw/zinc/77/57/10/435775710.db2.gz SJYPFMKUEAEKBN-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646820 435775716 /nfs/dbraw/zinc/77/57/16/435775716.db2.gz SJYPFMKUEAEKBN-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646820 435775724 /nfs/dbraw/zinc/77/57/24/435775724.db2.gz SJYPFMKUEAEKBN-AWEZNQCLSA-N 2 2 324.440 3.007 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060469 435776417 /nfs/dbraw/zinc/77/64/17/435776417.db2.gz WZPAQWHTENGMIJ-LPHOPBHVSA-N 2 2 320.452 3.116 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060469 435776423 /nfs/dbraw/zinc/77/64/23/435776423.db2.gz WZPAQWHTENGMIJ-LPHOPBHVSA-N 2 2 320.452 3.116 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756109 435777098 /nfs/dbraw/zinc/77/70/98/435777098.db2.gz NZJTYOCAYUHGOC-RTBURBONSA-N 2 2 324.472 3.218 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756109 435777108 /nfs/dbraw/zinc/77/71/08/435777108.db2.gz NZJTYOCAYUHGOC-RTBURBONSA-N 2 2 324.472 3.218 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000641656161 435778657 /nfs/dbraw/zinc/77/86/57/435778657.db2.gz CPAUFPDEYSQZPX-QGZVFWFLSA-N 2 2 317.477 3.070 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000651669018 435783918 /nfs/dbraw/zinc/78/39/18/435783918.db2.gz AFNRDIVQTBHPBJ-HNNXBMFYSA-N 2 2 303.450 3.386 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273211 435828077 /nfs/dbraw/zinc/82/80/77/435828077.db2.gz VCRWJFYWOHZQFX-PWIZWCRZSA-N 2 2 318.505 3.210 20 0 DGADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273211 435828084 /nfs/dbraw/zinc/82/80/84/435828084.db2.gz VCRWJFYWOHZQFX-PWIZWCRZSA-N 2 2 318.505 3.210 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1[NH3+] ZINC000641808419 435828238 /nfs/dbraw/zinc/82/82/38/435828238.db2.gz UTTHYBQFLRXRGD-UONOGXRCSA-N 2 2 305.809 3.210 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845457 435836789 /nfs/dbraw/zinc/83/67/89/435836789.db2.gz HJROAHWGZGGAOI-RISCZKNCSA-N 2 2 314.351 3.114 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845457 435836794 /nfs/dbraw/zinc/83/67/94/435836794.db2.gz HJROAHWGZGGAOI-RISCZKNCSA-N 2 2 314.351 3.114 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849915 435839939 /nfs/dbraw/zinc/83/99/39/435839939.db2.gz QVLSHJARRFSNKD-BZSNNMDCSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849915 435839944 /nfs/dbraw/zinc/83/99/44/435839944.db2.gz QVLSHJARRFSNKD-BZSNNMDCSA-N 2 2 300.446 3.289 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@H](c3cccnc3)C1)CCCC2 ZINC000551569322 435842510 /nfs/dbraw/zinc/84/25/10/435842510.db2.gz OUZBTBIRTCZFRY-DOTOQJQBSA-N 2 2 310.445 3.430 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655856557 435844528 /nfs/dbraw/zinc/84/45/28/435844528.db2.gz NQEYEYBORGCPAC-ZWKOTPCHSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655856557 435844532 /nfs/dbraw/zinc/84/45/32/435844532.db2.gz NQEYEYBORGCPAC-ZWKOTPCHSA-N 2 2 311.429 3.047 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659838 435846217 /nfs/dbraw/zinc/84/62/17/435846217.db2.gz RVYNWYWUDVFKID-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659838 435846230 /nfs/dbraw/zinc/84/62/30/435846230.db2.gz RVYNWYWUDVFKID-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659838 435846234 /nfs/dbraw/zinc/84/62/34/435846234.db2.gz RVYNWYWUDVFKID-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659838 435846240 /nfs/dbraw/zinc/84/62/40/435846240.db2.gz RVYNWYWUDVFKID-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP CC[C@]1(C)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551700004 435847629 /nfs/dbraw/zinc/84/76/29/435847629.db2.gz RGSYXJQIZJTKKT-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@]1(C)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551700004 435847634 /nfs/dbraw/zinc/84/76/34/435847634.db2.gz RGSYXJQIZJTKKT-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@]1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551700004 435847639 /nfs/dbraw/zinc/84/76/39/435847639.db2.gz RGSYXJQIZJTKKT-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@]1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551700004 435847645 /nfs/dbraw/zinc/84/76/45/435847645.db2.gz RGSYXJQIZJTKKT-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699949 435848667 /nfs/dbraw/zinc/84/86/67/435848667.db2.gz PEBIGZGPUPIIHH-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699949 435848669 /nfs/dbraw/zinc/84/86/69/435848669.db2.gz PEBIGZGPUPIIHH-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699949 435848676 /nfs/dbraw/zinc/84/86/76/435848676.db2.gz PEBIGZGPUPIIHH-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC(C)(C)C ZINC000551699949 435848678 /nfs/dbraw/zinc/84/86/78/435848678.db2.gz PEBIGZGPUPIIHH-SFHVURJKSA-N 2 2 304.478 3.255 20 0 DGADLP CC(C)CCc1noc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000551750369 435848972 /nfs/dbraw/zinc/84/89/72/435848972.db2.gz ZWSCTOSZWGZZDD-UHFFFAOYSA-N 2 2 322.497 3.210 20 0 DGADLP CC(C)CCc1noc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000551750369 435848977 /nfs/dbraw/zinc/84/89/77/435848977.db2.gz ZWSCTOSZWGZZDD-UHFFFAOYSA-N 2 2 322.497 3.210 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000660660723 435849465 /nfs/dbraw/zinc/84/94/65/435849465.db2.gz AMOXNNWFFMNYJG-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000660660723 435849470 /nfs/dbraw/zinc/84/94/70/435849470.db2.gz AMOXNNWFFMNYJG-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC000660660723 435849479 /nfs/dbraw/zinc/84/94/79/435849479.db2.gz AMOXNNWFFMNYJG-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC000660660723 435849487 /nfs/dbraw/zinc/84/94/87/435849487.db2.gz AMOXNNWFFMNYJG-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP Cc1ncsc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675792 435855385 /nfs/dbraw/zinc/85/53/85/435855385.db2.gz MJSKOHUSNCCPRT-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP Cc1noc(C)c1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678375 435856712 /nfs/dbraw/zinc/85/67/12/435856712.db2.gz SPMQOXIGOLDLLI-UHFFFAOYSA-N 2 2 313.445 3.088 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000660691560 435860965 /nfs/dbraw/zinc/86/09/65/435860965.db2.gz FYZZIICXERHRJL-HNNXBMFYSA-N 2 2 324.896 3.474 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000651909105 435862147 /nfs/dbraw/zinc/86/21/47/435862147.db2.gz XCNNBUOWVGEZEI-SUMDDJOVSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000651909105 435862154 /nfs/dbraw/zinc/86/21/54/435862154.db2.gz XCNNBUOWVGEZEI-SUMDDJOVSA-N 2 2 302.462 3.369 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572879691 435878786 /nfs/dbraw/zinc/87/87/86/435878786.db2.gz SETDVBISAIZDDC-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572879691 435878792 /nfs/dbraw/zinc/87/87/92/435878792.db2.gz SETDVBISAIZDDC-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cs2)c1 ZINC000641804259 435827510 /nfs/dbraw/zinc/82/75/10/435827510.db2.gz XHXICEUAICVFDN-LSDHHAIUSA-N 2 2 317.458 3.034 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000651982988 435884241 /nfs/dbraw/zinc/88/42/41/435884241.db2.gz MUEXITGQMQPSFE-GPMSIDNRSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000651982988 435884247 /nfs/dbraw/zinc/88/42/47/435884247.db2.gz MUEXITGQMQPSFE-GPMSIDNRSA-N 2 2 302.462 3.054 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000660760315 435886961 /nfs/dbraw/zinc/88/69/61/435886961.db2.gz OCMNMEARZMTOKG-UHFFFAOYSA-N 2 2 316.489 3.137 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275826 435937002 /nfs/dbraw/zinc/93/70/02/435937002.db2.gz SOLMPVVNLXWGPL-LLVKDONJSA-N 2 2 323.362 3.430 20 0 DGADLP C[C@H]([NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000656200981 435910543 /nfs/dbraw/zinc/91/05/43/435910543.db2.gz HEZJSRFELHUIGE-FZMZJTMJSA-N 2 2 314.351 3.304 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)O1 ZINC000660857857 435910577 /nfs/dbraw/zinc/91/05/77/435910577.db2.gz XDKWOKKKIBAENL-ZBFHGGJFSA-N 2 2 313.445 3.385 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000656201516 435910949 /nfs/dbraw/zinc/91/09/49/435910949.db2.gz QTHZVIWXTOQHFH-IXDOHACOSA-N 2 2 310.397 3.253 20 0 DGADLP FC(F)COCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857972 435911864 /nfs/dbraw/zinc/91/18/64/435911864.db2.gz ZQQFOENJWRPDNR-UHFFFAOYSA-N 2 2 323.387 3.099 20 0 DGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278033 435936385 /nfs/dbraw/zinc/93/63/85/435936385.db2.gz SWJKOJYRJDIKKO-VXKCQOAXSA-N 2 2 306.837 3.204 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000660900676 435917934 /nfs/dbraw/zinc/91/79/34/435917934.db2.gz BQUJDTVTTUYIRN-MRXNPFEDSA-N 2 2 310.869 3.010 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000660900676 435917937 /nfs/dbraw/zinc/91/79/37/435917937.db2.gz BQUJDTVTTUYIRN-MRXNPFEDSA-N 2 2 310.869 3.010 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656229194 435918363 /nfs/dbraw/zinc/91/83/63/435918363.db2.gz ZOENQXNBYWGEIG-ZFWWWQNUSA-N 2 2 302.397 3.141 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656229194 435918367 /nfs/dbraw/zinc/91/83/67/435918367.db2.gz ZOENQXNBYWGEIG-ZFWWWQNUSA-N 2 2 302.397 3.141 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000660911275 435920738 /nfs/dbraw/zinc/92/07/38/435920738.db2.gz RVUKNRXYRVUHMA-CQSZACIVSA-N 2 2 310.869 3.010 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000660911275 435920745 /nfs/dbraw/zinc/92/07/45/435920745.db2.gz RVUKNRXYRVUHMA-CQSZACIVSA-N 2 2 310.869 3.010 20 0 DGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC13CC(C1)C[NH2+]3)CCCC2 ZINC000665277706 435936685 /nfs/dbraw/zinc/93/66/85/435936685.db2.gz JLZIWLNTPVZXPU-RPLTXICNSA-N 2 2 312.457 3.121 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncc(F)c1 ZINC000665257845 435932592 /nfs/dbraw/zinc/93/25/92/435932592.db2.gz WIVMZJDTGSLMAJ-NXOUGTEYSA-N 2 2 317.383 3.156 20 0 DGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000665257377 435932945 /nfs/dbraw/zinc/93/29/45/435932945.db2.gz HQDKHGZKWSLGFH-GDIGMMSISA-N 2 2 313.420 3.325 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@H]2CCC[NH2+]2)cc1 ZINC000665265256 435934581 /nfs/dbraw/zinc/93/45/81/435934581.db2.gz TWDHUZSUXCYUGX-FDPIWHGQSA-N 2 2 318.461 3.036 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)CO1 ZINC000647166786 435958219 /nfs/dbraw/zinc/95/82/19/435958219.db2.gz CZCXTAWGEKTGJK-OWCLPIDISA-N 2 2 308.491 3.288 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000647184821 435964794 /nfs/dbraw/zinc/96/47/94/435964794.db2.gz CSPHSIBDXANUQU-QGZVFWFLSA-N 2 2 310.445 3.005 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000647184821 435964797 /nfs/dbraw/zinc/96/47/97/435964797.db2.gz CSPHSIBDXANUQU-QGZVFWFLSA-N 2 2 310.445 3.005 20 0 DGADLP CC(C)(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000656281399 435937134 /nfs/dbraw/zinc/93/71/34/435937134.db2.gz WTFIGGAURAOATD-LJQANCHMSA-N 2 2 316.489 3.151 20 0 DGADLP CC(C)(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000656281399 435937138 /nfs/dbraw/zinc/93/71/38/435937138.db2.gz WTFIGGAURAOATD-LJQANCHMSA-N 2 2 316.489 3.151 20 0 DGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Oc2ccccc2)cn1 ZINC000665280189 435937508 /nfs/dbraw/zinc/93/75/08/435937508.db2.gz VJPNUNPZWQZKKZ-XVTSOASTSA-N 2 2 309.413 3.277 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000665282039 435937560 /nfs/dbraw/zinc/93/75/60/435937560.db2.gz PLLCILFSPNCQFI-JOYOIKCWSA-N 2 2 318.234 3.007 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)sc1Br ZINC000665280270 435938709 /nfs/dbraw/zinc/93/87/09/435938709.db2.gz XMLIQAOPNKVLLC-JBLZRFIASA-N 2 2 315.280 3.222 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000665297159 435942490 /nfs/dbraw/zinc/94/24/90/435942490.db2.gz AFNHRGIYERUEIH-ABAIWWIYSA-N 2 2 311.267 3.414 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000665296184 435943231 /nfs/dbraw/zinc/94/32/31/435943231.db2.gz OFULBKCYWZDXEU-DCAQKATOSA-N 2 2 305.249 3.347 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000665296486 435943345 /nfs/dbraw/zinc/94/33/45/435943345.db2.gz TVSSCMYSPSHBRO-STQMWFEESA-N 2 2 303.475 3.301 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CCC[C@H]4C[C@H]43)c12 ZINC000656472998 435956670 /nfs/dbraw/zinc/95/66/70/435956670.db2.gz FWGNMQVZPSFILV-KCQAQPDRSA-N 2 2 320.400 3.059 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCCC3CCC3)c12 ZINC000656473055 435956992 /nfs/dbraw/zinc/95/69/92/435956992.db2.gz GRPXEIVIMFGNCV-UHFFFAOYSA-N 2 2 308.389 3.203 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280788 435997438 /nfs/dbraw/zinc/99/74/38/435997438.db2.gz BCSVADXZCSZGGE-RBUKOAKNSA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280788 435997443 /nfs/dbraw/zinc/99/74/43/435997443.db2.gz BCSVADXZCSZGGE-RBUKOAKNSA-N 2 2 319.493 3.115 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc2n(n1)CCCC2 ZINC000647291512 436002892 /nfs/dbraw/zinc/00/28/92/436002892.db2.gz QPAWJQBPGMDEQS-HNNXBMFYSA-N 2 2 316.493 3.277 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccncc1 ZINC000647290986 436003009 /nfs/dbraw/zinc/00/30/09/436003009.db2.gz AQDGGMDWLDONFO-IRXDYDNUSA-N 2 2 307.507 3.196 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000647336290 436020974 /nfs/dbraw/zinc/02/09/74/436020974.db2.gz UFKWPHPHCKAORM-ZMSDIMECSA-N 2 2 301.434 3.320 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000650758571 436021328 /nfs/dbraw/zinc/02/13/28/436021328.db2.gz SKFPXMKEIMBGFJ-UWJYYQICSA-N 3 2 323.484 3.159 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000650758571 436021334 /nfs/dbraw/zinc/02/13/34/436021334.db2.gz SKFPXMKEIMBGFJ-UWJYYQICSA-N 3 2 323.484 3.159 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000647344248 436024552 /nfs/dbraw/zinc/02/45/52/436024552.db2.gz MOWDFTAUBLVVTA-BMFZPTHFSA-N 2 2 301.459 3.139 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000647344248 436024556 /nfs/dbraw/zinc/02/45/56/436024556.db2.gz MOWDFTAUBLVVTA-BMFZPTHFSA-N 2 2 301.459 3.139 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349786 436028634 /nfs/dbraw/zinc/02/86/34/436028634.db2.gz HQCKDJODCAXKLX-LOTPSLMQSA-N 2 2 319.468 3.410 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647349786 436028641 /nfs/dbraw/zinc/02/86/41/436028641.db2.gz HQCKDJODCAXKLX-LOTPSLMQSA-N 2 2 319.468 3.410 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C12CCC2 ZINC000647363818 436031426 /nfs/dbraw/zinc/03/14/26/436031426.db2.gz KSRARCKNPZMHOS-SJORKVTESA-N 2 2 313.445 3.123 20 0 DGADLP c1nc(C2CC2)sc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788985 436047532 /nfs/dbraw/zinc/04/75/32/436047532.db2.gz LIPXRCDXEWRINR-IAGOWNOFSA-N 2 2 313.470 3.256 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CC2([NH3+])CCCC2)cc1Cl ZINC000656789768 436047827 /nfs/dbraw/zinc/04/78/27/436047827.db2.gz XUOQTVUFBHYWGX-UHFFFAOYSA-N 2 2 303.233 3.363 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480747 436060212 /nfs/dbraw/zinc/06/02/12/436060212.db2.gz YMOQJMBLDMADCM-DZGCQCFKSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480747 436060218 /nfs/dbraw/zinc/06/02/18/436060218.db2.gz YMOQJMBLDMADCM-DZGCQCFKSA-N 2 2 307.507 3.405 20 0 DGADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480660 436061789 /nfs/dbraw/zinc/06/17/89/436061789.db2.gz WZXDEBPGQUGLRV-HOCLYGCPSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480660 436061794 /nfs/dbraw/zinc/06/17/94/436061794.db2.gz WZXDEBPGQUGLRV-HOCLYGCPSA-N 2 2 305.491 3.375 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH3+] ZINC000647498591 436065862 /nfs/dbraw/zinc/06/58/62/436065862.db2.gz KURPLKCRYWUSJM-YGRLFVJLSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH3+] ZINC000647498591 436065871 /nfs/dbraw/zinc/06/58/71/436065871.db2.gz KURPLKCRYWUSJM-YGRLFVJLSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000647508071 436068425 /nfs/dbraw/zinc/06/84/25/436068425.db2.gz GNZCYRGEXPHVDV-PBHICJAKSA-N 2 2 316.470 3.272 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@H]([C@@H](C)[NH3+])C3)s2)cc1 ZINC000647508071 436068428 /nfs/dbraw/zinc/06/84/28/436068428.db2.gz GNZCYRGEXPHVDV-PBHICJAKSA-N 2 2 316.470 3.272 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647536721 436075208 /nfs/dbraw/zinc/07/52/08/436075208.db2.gz ZSMHASMJROBDED-AWEZNQCLSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647536721 436075212 /nfs/dbraw/zinc/07/52/12/436075212.db2.gz ZSMHASMJROBDED-AWEZNQCLSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000647549335 436080170 /nfs/dbraw/zinc/08/01/70/436080170.db2.gz URUGRBFQGVZQMN-UTKZUKDTSA-N 2 2 324.468 3.491 20 0 DGADLP COc1cccc(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)c1OC1CCCC1 ZINC000647548647 436081065 /nfs/dbraw/zinc/08/10/65/436081065.db2.gz MSOMJXLPATVISW-GDBMZVCRSA-N 2 2 318.461 3.104 20 0 DGADLP Fc1cccc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)co2)c1 ZINC000647815107 436127942 /nfs/dbraw/zinc/12/79/42/436127942.db2.gz PFAGXGMNVBAFSO-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Fc1cccc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)co2)c1 ZINC000647815107 436127949 /nfs/dbraw/zinc/12/79/49/436127949.db2.gz PFAGXGMNVBAFSO-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP CC(C)COc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657353958 436154124 /nfs/dbraw/zinc/15/41/24/436154124.db2.gz MANVNHCPSAIWII-UHFFFAOYSA-N 2 2 313.445 3.196 20 0 DGADLP C[N@H+](CCC[NH3+])[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000647848155 436133434 /nfs/dbraw/zinc/13/34/34/436133434.db2.gz HTDCXGQKRHRLAG-KRWDZBQOSA-N 2 2 322.412 3.107 20 0 DGADLP C[N@@H+](CCC[NH3+])[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000647848155 436133437 /nfs/dbraw/zinc/13/34/37/436133437.db2.gz HTDCXGQKRHRLAG-KRWDZBQOSA-N 2 2 322.412 3.107 20 0 DGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000657317970 436134111 /nfs/dbraw/zinc/13/41/11/436134111.db2.gz GPGLDPBCCYFQSW-SUMWQHHRSA-N 2 2 308.385 3.274 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000647854642 436135013 /nfs/dbraw/zinc/13/50/13/436135013.db2.gz FEUMPFINUAXCML-CVEARBPZSA-N 2 2 312.379 3.464 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000647854642 436135017 /nfs/dbraw/zinc/13/50/17/436135017.db2.gz FEUMPFINUAXCML-CVEARBPZSA-N 2 2 312.379 3.464 20 0 DGADLP CC[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@H]1[NH3+] ZINC000647939942 436154310 /nfs/dbraw/zinc/15/43/10/436154310.db2.gz GYSVPVBQGNFNQU-NVXWUHKLSA-N 2 2 317.477 3.116 20 0 DGADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)CC[C@H]1[NH3+] ZINC000647939942 436154315 /nfs/dbraw/zinc/15/43/15/436154315.db2.gz GYSVPVBQGNFNQU-NVXWUHKLSA-N 2 2 317.477 3.116 20 0 DGADLP FC(F)(F)c1ccccc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657324610 436136750 /nfs/dbraw/zinc/13/67/50/436136750.db2.gz FFINYIKZNYBPNB-UHFFFAOYSA-N 2 2 309.335 3.180 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000657327061 436139243 /nfs/dbraw/zinc/13/92/43/436139243.db2.gz YLZXAIMDZXYTNP-INIZCTEOSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000657327061 436139250 /nfs/dbraw/zinc/13/92/50/436139250.db2.gz YLZXAIMDZXYTNP-INIZCTEOSA-N 2 2 301.459 3.302 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CO1 ZINC000657338704 436145548 /nfs/dbraw/zinc/14/55/48/436145548.db2.gz SIYFPTJPDJZBAJ-OTWHNJEPSA-N 2 2 302.462 3.289 20 0 DGADLP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000657337631 436146260 /nfs/dbraw/zinc/14/62/60/436146260.db2.gz BZXOVMUWCCFOJZ-ZWKOTPCHSA-N 3 2 321.553 3.494 20 0 DGADLP CC[N@H+](Cc1nc(-c2ccccc2C)no1)[C@@H]1CCC[NH2+]CC1 ZINC000647912911 436147201 /nfs/dbraw/zinc/14/72/01/436147201.db2.gz BRPZKHLWUZUHMM-OAHLLOKOSA-N 2 2 314.433 3.009 20 0 DGADLP CC[N@@H+](Cc1nc(-c2ccccc2C)no1)[C@@H]1CCC[NH2+]CC1 ZINC000647912911 436147206 /nfs/dbraw/zinc/14/72/06/436147206.db2.gz BRPZKHLWUZUHMM-OAHLLOKOSA-N 2 2 314.433 3.009 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000666138795 436151296 /nfs/dbraw/zinc/15/12/96/436151296.db2.gz DSKYHAZVWGNVOF-QWHCGFSZSA-N 2 2 301.821 3.068 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000666138795 436151300 /nfs/dbraw/zinc/15/13/00/436151300.db2.gz DSKYHAZVWGNVOF-QWHCGFSZSA-N 2 2 301.821 3.068 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1CCC[NH2+]CC1 ZINC000653115302 436113488 /nfs/dbraw/zinc/11/34/88/436113488.db2.gz JXHVDEITTIXAKT-ZDUSSCGKSA-N 2 2 312.417 3.159 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccnn1CC1CC1 ZINC000657289953 436117786 /nfs/dbraw/zinc/11/77/86/436117786.db2.gz WAOOSKRPVKFBJD-UHFFFAOYSA-N 2 2 323.444 3.131 20 0 DGADLP Fc1c(C[NH2+]CCC[NH+]2CCCCC2)cccc1OC1CC1 ZINC000657296111 436120546 /nfs/dbraw/zinc/12/05/46/436120546.db2.gz RZGCKBPZVSCQGJ-UHFFFAOYSA-N 2 2 306.425 3.333 20 0 DGADLP CC(C)n1ccnc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000657300099 436122079 /nfs/dbraw/zinc/12/20/79/436122079.db2.gz IGJMGVCJZIMDTI-UHFFFAOYSA-N 2 2 312.461 3.350 20 0 DGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796520 436123835 /nfs/dbraw/zinc/12/38/35/436123835.db2.gz CMSBALIHLUVACH-CEXWTWQISA-N 3 2 319.537 3.010 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647803751 436124748 /nfs/dbraw/zinc/12/47/48/436124748.db2.gz AOFHSWRRKPVPOO-BBRMVZONSA-N 2 2 308.853 3.076 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657358032 436157866 /nfs/dbraw/zinc/15/78/66/436157866.db2.gz UTVIJSGLLPZLOY-UHFFFAOYSA-N 2 2 320.234 3.190 20 0 DGADLP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364010 436159527 /nfs/dbraw/zinc/15/95/27/436159527.db2.gz HNGLEPWGRSLQDA-YVEFUNNKSA-N 2 2 319.836 3.349 20 0 DGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccccc1Cl ZINC000657377652 436165042 /nfs/dbraw/zinc/16/50/42/436165042.db2.gz QQTWDDILMPHJHF-LBPRGKRZSA-N 2 2 305.809 3.040 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382797 436169630 /nfs/dbraw/zinc/16/96/30/436169630.db2.gz LLKYKDIOHFGYKP-MJGOQNOKSA-N 2 2 311.429 3.148 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnn(-c2ccccc2C)c1 ZINC000648012518 436180074 /nfs/dbraw/zinc/18/00/74/436180074.db2.gz IZTPJFRXSNZBCG-MOPGFXCFSA-N 2 2 324.472 3.239 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnn(-c2ccccc2C)c1 ZINC000648012518 436180079 /nfs/dbraw/zinc/18/00/79/436180079.db2.gz IZTPJFRXSNZBCG-MOPGFXCFSA-N 2 2 324.472 3.239 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(-c2ccccc2C)c1 ZINC000648012518 436180086 /nfs/dbraw/zinc/18/00/86/436180086.db2.gz IZTPJFRXSNZBCG-MOPGFXCFSA-N 2 2 324.472 3.239 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(-c2ccccc2C)c1 ZINC000648012518 436180090 /nfs/dbraw/zinc/18/00/90/436180090.db2.gz IZTPJFRXSNZBCG-MOPGFXCFSA-N 2 2 324.472 3.239 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661768517 436183295 /nfs/dbraw/zinc/18/32/95/436183295.db2.gz XZRMROGCSUTCGO-CRAIPNDOSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661768517 436183312 /nfs/dbraw/zinc/18/33/12/436183312.db2.gz XZRMROGCSUTCGO-CRAIPNDOSA-N 2 2 315.461 3.360 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657525516 436233655 /nfs/dbraw/zinc/23/36/55/436233655.db2.gz YCMMQOCUTVSEGA-INIZCTEOSA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657525516 436233659 /nfs/dbraw/zinc/23/36/59/436233659.db2.gz YCMMQOCUTVSEGA-INIZCTEOSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000657526599 436233931 /nfs/dbraw/zinc/23/39/31/436233931.db2.gz JMGFHNOEFRDNCD-CQSZACIVSA-N 2 2 304.463 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000657526599 436233935 /nfs/dbraw/zinc/23/39/35/436233935.db2.gz JMGFHNOEFRDNCD-CQSZACIVSA-N 2 2 304.463 3.101 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657525517 436234610 /nfs/dbraw/zinc/23/46/10/436234610.db2.gz YCMMQOCUTVSEGA-MRXNPFEDSA-N 2 2 320.477 3.446 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657525517 436234614 /nfs/dbraw/zinc/23/46/14/436234614.db2.gz YCMMQOCUTVSEGA-MRXNPFEDSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000657523702 436235975 /nfs/dbraw/zinc/23/59/75/436235975.db2.gz HYRRJFKQNVNTHE-INIZCTEOSA-N 2 2 301.409 3.336 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000657523702 436235980 /nfs/dbraw/zinc/23/59/80/436235980.db2.gz HYRRJFKQNVNTHE-INIZCTEOSA-N 2 2 301.409 3.336 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000657528180 436237497 /nfs/dbraw/zinc/23/74/97/436237497.db2.gz RDUXQKAWJDFMEH-ZJZKXORJSA-N 2 2 302.462 3.227 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000657528180 436237502 /nfs/dbraw/zinc/23/75/02/436237502.db2.gz RDUXQKAWJDFMEH-ZJZKXORJSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CO1 ZINC000657415019 436189459 /nfs/dbraw/zinc/18/94/59/436189459.db2.gz ZCGRLZBPPYPKAX-LMMKCTJWSA-N 2 2 313.445 3.398 20 0 DGADLP Fc1ccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CC2)c(Cl)c1 ZINC000657424509 436192825 /nfs/dbraw/zinc/19/28/25/436192825.db2.gz YQSZNYFAKKTCEA-UHFFFAOYSA-N 2 2 319.811 3.443 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000648058880 436199068 /nfs/dbraw/zinc/19/90/68/436199068.db2.gz JDNVJOXSMSJKFA-UHFFFAOYSA-N 2 2 306.360 3.053 20 0 DGADLP Fc1cccc(F)c1CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000653547898 436201415 /nfs/dbraw/zinc/20/14/15/436201415.db2.gz CAGVCWCJPHOHDP-AWEZNQCLSA-N 2 2 305.372 3.431 20 0 DGADLP Fc1cccc(F)c1CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000653547898 436201418 /nfs/dbraw/zinc/20/14/18/436201418.db2.gz CAGVCWCJPHOHDP-AWEZNQCLSA-N 2 2 305.372 3.431 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)c[nH+]1 ZINC000648069651 436201736 /nfs/dbraw/zinc/20/17/36/436201736.db2.gz ISGUUKVAPSGNBM-SFHVURJKSA-N 2 2 302.462 3.266 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC2(CCCC2)O1 ZINC000648077460 436205618 /nfs/dbraw/zinc/20/56/18/436205618.db2.gz QZYFYPLJWXKUFU-AWEZNQCLSA-N 2 2 317.458 3.467 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H]1c3ccccc3CC13CCOCC3)CCC2 ZINC000657470919 436217401 /nfs/dbraw/zinc/21/74/01/436217401.db2.gz WIQKNXXPSPBANQ-IBGZPJMESA-N 2 2 323.440 3.013 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000657522216 436231841 /nfs/dbraw/zinc/23/18/41/436231841.db2.gz BPBPUBSEYLINQJ-NSHDSACASA-N 2 2 317.296 3.473 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000657522216 436231844 /nfs/dbraw/zinc/23/18/44/436231844.db2.gz BPBPUBSEYLINQJ-NSHDSACASA-N 2 2 317.296 3.473 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1)C1CC1 ZINC000666835078 436289715 /nfs/dbraw/zinc/28/97/15/436289715.db2.gz WRDMRDXFZPPGLG-GOSISDBHSA-N 2 2 324.472 3.052 20 0 DGADLP Fc1ccc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666853974 436293941 /nfs/dbraw/zinc/29/39/41/436293941.db2.gz XXXBMZFFTLAPSZ-AWEZNQCLSA-N 2 2 305.422 3.181 20 0 DGADLP CC(C)[C@@H](O)[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000657749218 436295459 /nfs/dbraw/zinc/29/54/59/436295459.db2.gz ZJMABKBOIPILAN-RTBURBONSA-N 2 2 309.413 3.182 20 0 DGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657753514 436295546 /nfs/dbraw/zinc/29/55/46/436295546.db2.gz XEQWTQMCAZEXJV-BHIYHBOVSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1(CO)CC1 ZINC000657608600 436260016 /nfs/dbraw/zinc/26/00/16/436260016.db2.gz VWFIKRJHLPLQOH-CQSZACIVSA-N 2 2 322.880 3.055 20 0 DGADLP Fc1c(C[NH2+]Cc2cccc3[nH+]ccn32)cccc1OC1CC1 ZINC000657621210 436263754 /nfs/dbraw/zinc/26/37/54/436263754.db2.gz JJVVFAPKDUNSMJ-UHFFFAOYSA-N 2 2 311.360 3.304 20 0 DGADLP Clc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1Br ZINC000666770587 436279473 /nfs/dbraw/zinc/27/94/73/436279473.db2.gz LNHFTAXFJCZQTL-LLVKDONJSA-N 2 2 317.658 3.334 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnc3ccccn23)cc1 ZINC000666785641 436280314 /nfs/dbraw/zinc/28/03/14/436280314.db2.gz PICQAAQTYVVPQD-SFHVURJKSA-N 2 2 308.429 3.247 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657979721 436349947 /nfs/dbraw/zinc/34/99/47/436349947.db2.gz JNIWOIHFKSKENT-HOTGVXAUSA-N 2 2 303.837 3.462 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666876014 436299335 /nfs/dbraw/zinc/29/93/35/436299335.db2.gz OCVRHFCBXIBNGO-OAHLLOKOSA-N 2 2 316.420 3.492 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2OC(F)F)CC[NH2+]1 ZINC000666873224 436299824 /nfs/dbraw/zinc/29/98/24/436299824.db2.gz ILKACOVMVKHNIS-ZJUUUORDSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)C[N@@H+]1C1CC1 ZINC000657770941 436300228 /nfs/dbraw/zinc/30/02/28/436300228.db2.gz VANFCOKEOFPSGO-CHWSQXEVSA-N 2 2 301.459 3.054 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)C[N@H+]1C1CC1 ZINC000657770941 436300233 /nfs/dbraw/zinc/30/02/33/436300233.db2.gz VANFCOKEOFPSGO-CHWSQXEVSA-N 2 2 301.459 3.054 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772472 436300514 /nfs/dbraw/zinc/30/05/14/436300514.db2.gz NMAHVAOSOSQRPJ-GOSISDBHSA-N 2 2 324.472 3.110 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772472 436300518 /nfs/dbraw/zinc/30/05/18/436300518.db2.gz NMAHVAOSOSQRPJ-GOSISDBHSA-N 2 2 324.472 3.110 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657784464 436303307 /nfs/dbraw/zinc/30/33/07/436303307.db2.gz BZYUGRRSKJDHAH-BPQIPLTHSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657784464 436303311 /nfs/dbraw/zinc/30/33/11/436303311.db2.gz BZYUGRRSKJDHAH-BPQIPLTHSA-N 2 2 302.462 3.054 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657787031 436304339 /nfs/dbraw/zinc/30/43/39/436304339.db2.gz ZNXSJAXPNFPZKD-QZTJIDSGSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657787031 436304343 /nfs/dbraw/zinc/30/43/43/436304343.db2.gz ZNXSJAXPNFPZKD-QZTJIDSGSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000657794933 436308623 /nfs/dbraw/zinc/30/86/23/436308623.db2.gz ZDRKOOGXIUQGNF-MRXNPFEDSA-N 2 2 314.477 3.229 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1nccn1C ZINC000657794933 436308628 /nfs/dbraw/zinc/30/86/28/436308628.db2.gz ZDRKOOGXIUQGNF-MRXNPFEDSA-N 2 2 314.477 3.229 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000666947795 436313199 /nfs/dbraw/zinc/31/31/99/436313199.db2.gz IBIIYKOCGNSLDA-GJZGRUSLSA-N 2 2 318.358 3.318 20 0 DGADLP CCCCCOc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)ccc1OC ZINC000666946736 436313520 /nfs/dbraw/zinc/31/35/20/436313520.db2.gz OKHWZCHCRJNNBF-HOTGVXAUSA-N 2 2 324.440 3.054 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCCn2nccc21 ZINC000657819240 436315442 /nfs/dbraw/zinc/31/54/42/436315442.db2.gz FXCHVDIWVFETMQ-HNNXBMFYSA-N 2 2 309.417 3.056 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265045 436316093 /nfs/dbraw/zinc/31/60/93/436316093.db2.gz MSHFCTDANMQNJV-DZGCQCFKSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265045 436316097 /nfs/dbraw/zinc/31/60/97/436316097.db2.gz MSHFCTDANMQNJV-DZGCQCFKSA-N 2 2 308.853 3.313 20 0 DGADLP [NH3+]CC[N@H+](CCc1nsc2ccccc21)Cc1ccccc1 ZINC000662266473 436317315 /nfs/dbraw/zinc/31/73/15/436317315.db2.gz MFIWDVJLFLEGFY-UHFFFAOYSA-N 2 2 311.454 3.300 20 0 DGADLP [NH3+]CC[N@@H+](CCc1nsc2ccccc21)Cc1ccccc1 ZINC000662266473 436317319 /nfs/dbraw/zinc/31/73/19/436317319.db2.gz MFIWDVJLFLEGFY-UHFFFAOYSA-N 2 2 311.454 3.300 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968880 436317764 /nfs/dbraw/zinc/31/77/64/436317764.db2.gz YKEKAMCYWULROJ-NVXWUHKLSA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968880 436317766 /nfs/dbraw/zinc/31/77/66/436317766.db2.gz YKEKAMCYWULROJ-NVXWUHKLSA-N 2 2 312.461 3.020 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657828333 436319841 /nfs/dbraw/zinc/31/98/41/436319841.db2.gz SCCXPTPFYTZAFQ-MOPGFXCFSA-N 2 2 314.473 3.125 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000657828333 436319845 /nfs/dbraw/zinc/31/98/45/436319845.db2.gz SCCXPTPFYTZAFQ-MOPGFXCFSA-N 2 2 314.473 3.125 20 0 DGADLP C[N@H+](Cc1oc2ccccc2c1Br)C1CC([NH3+])C1 ZINC000662274517 436321167 /nfs/dbraw/zinc/32/11/67/436321167.db2.gz UWISMXZTBQDOMN-UHFFFAOYSA-N 2 2 309.207 3.117 20 0 DGADLP C[N@@H+](Cc1oc2ccccc2c1Br)C1CC([NH3+])C1 ZINC000662274517 436321174 /nfs/dbraw/zinc/32/11/74/436321174.db2.gz UWISMXZTBQDOMN-UHFFFAOYSA-N 2 2 309.207 3.117 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000657847738 436324835 /nfs/dbraw/zinc/32/48/35/436324835.db2.gz ZCFCVQWVDTXCKK-CEXWTWQISA-N 2 2 313.489 3.460 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657880097 436331507 /nfs/dbraw/zinc/33/15/07/436331507.db2.gz LFMBKYIQLJDALW-IKGGRYGDSA-N 2 2 308.510 3.290 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325222 436331878 /nfs/dbraw/zinc/33/18/78/436331878.db2.gz DCLCHQSKQPMEHL-SFHVURJKSA-N 2 2 319.493 3.056 20 0 DGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325222 436331881 /nfs/dbraw/zinc/33/18/81/436331881.db2.gz DCLCHQSKQPMEHL-SFHVURJKSA-N 2 2 319.493 3.056 20 0 DGADLP COc1cc2ccc([C@H](C)[NH2+]CC[NH+](C)C)cc2cc1OC ZINC000658016413 436354130 /nfs/dbraw/zinc/35/41/30/436354130.db2.gz YDZRSFBCMFWLBO-ZDUSSCGKSA-N 2 2 302.418 3.069 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657883535 436334117 /nfs/dbraw/zinc/33/41/17/436334117.db2.gz YTHRYMZMQLENAY-GFCCVEGCSA-N 2 2 306.441 3.145 20 0 DGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H]2CCCSCC2)cc1 ZINC000658007715 436353734 /nfs/dbraw/zinc/35/37/34/436353734.db2.gz WHVCRFAGTURPEO-DOTOQJQBSA-N 2 2 308.491 3.173 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCn2nccc21 ZINC000657900950 436337051 /nfs/dbraw/zinc/33/70/51/436337051.db2.gz OAZIPEOYTBMUFV-NEWSRXKRSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCn2nccc21 ZINC000657900950 436337053 /nfs/dbraw/zinc/33/70/53/436337053.db2.gz OAZIPEOYTBMUFV-NEWSRXKRSA-N 2 2 324.472 3.218 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055418 436360426 /nfs/dbraw/zinc/36/04/26/436360426.db2.gz IVJDWOGVTGAUBA-MJGOQNOKSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C2CC2)c1 ZINC000658055418 436360430 /nfs/dbraw/zinc/36/04/30/436360430.db2.gz IVJDWOGVTGAUBA-MJGOQNOKSA-N 2 2 316.489 3.479 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057521 436361834 /nfs/dbraw/zinc/36/18/34/436361834.db2.gz PALGVRXLNBVJFJ-CABCVRRESA-N 2 2 314.477 3.346 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057521 436361836 /nfs/dbraw/zinc/36/18/36/436361836.db2.gz PALGVRXLNBVJFJ-CABCVRRESA-N 2 2 314.477 3.346 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092660 436371743 /nfs/dbraw/zinc/37/17/43/436371743.db2.gz RAHQCPOGUQOKMW-HOCLYGCPSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092660 436371746 /nfs/dbraw/zinc/37/17/46/436371746.db2.gz RAHQCPOGUQOKMW-HOCLYGCPSA-N 2 2 318.461 3.199 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000658090564 436372053 /nfs/dbraw/zinc/37/20/53/436372053.db2.gz HVIZGJPKDMDXEO-GOEBONIOSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1OC ZINC000658090564 436372056 /nfs/dbraw/zinc/37/20/56/436372056.db2.gz HVIZGJPKDMDXEO-GOEBONIOSA-N 2 2 320.477 3.097 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095766 436374015 /nfs/dbraw/zinc/37/40/15/436374015.db2.gz LOXAJAROZDOFON-HOTGVXAUSA-N 2 2 316.424 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095766 436374018 /nfs/dbraw/zinc/37/40/18/436374018.db2.gz LOXAJAROZDOFON-HOTGVXAUSA-N 2 2 316.424 3.101 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000658102494 436376612 /nfs/dbraw/zinc/37/66/12/436376612.db2.gz XVNGKNLMQDQKEJ-UHFFFAOYSA-N 2 2 316.493 3.034 20 0 DGADLP [NH3+]C1(CC(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000662708501 436379180 /nfs/dbraw/zinc/37/91/80/436379180.db2.gz SWPSAWGGJGEYPH-UHFFFAOYSA-N 2 2 317.776 3.347 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c2nccn21 ZINC000658195493 436398900 /nfs/dbraw/zinc/39/89/00/436398900.db2.gz VFLKFFXIRGJUSP-DJIMGWMZSA-N 2 2 321.428 3.196 20 0 DGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000662901751 436399730 /nfs/dbraw/zinc/39/97/30/436399730.db2.gz IZNPJTOJWJSROG-ZBFHGGJFSA-N 2 2 320.481 3.158 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222308 436404343 /nfs/dbraw/zinc/40/43/43/436404343.db2.gz QVFLKAIPRASATM-DJIMGWMZSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000658222308 436404347 /nfs/dbraw/zinc/40/43/47/436404347.db2.gz QVFLKAIPRASATM-DJIMGWMZSA-N 2 2 323.431 3.317 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000658026105 436356052 /nfs/dbraw/zinc/35/60/52/436356052.db2.gz QOKVFYZDPGXLBF-QZTJIDSGSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000658026105 436356055 /nfs/dbraw/zinc/35/60/55/436356055.db2.gz QOKVFYZDPGXLBF-QZTJIDSGSA-N 2 2 324.896 3.098 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cnccc3C(F)(F)F)n2c1 ZINC000663353091 436446309 /nfs/dbraw/zinc/44/63/09/436446309.db2.gz CKBNEYCOJCOVPM-UHFFFAOYSA-N 2 2 320.318 3.346 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NCC[N@@H+]1CCc2sccc2C1 ZINC000663416481 436457260 /nfs/dbraw/zinc/45/72/60/436457260.db2.gz OCPPPWLCFXYHPE-UHFFFAOYSA-N 2 2 324.453 3.349 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NCC[N@H+]1CCc2sccc2C1 ZINC000663416481 436457261 /nfs/dbraw/zinc/45/72/61/436457261.db2.gz OCPPPWLCFXYHPE-UHFFFAOYSA-N 2 2 324.453 3.349 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000663469468 436464811 /nfs/dbraw/zinc/46/48/11/436464811.db2.gz CRIOHOAYRMGLFG-SFHVURJKSA-N 2 2 324.472 3.324 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)CC1 ZINC000663469467 436465630 /nfs/dbraw/zinc/46/56/30/436465630.db2.gz CRIOHOAYRMGLFG-GOSISDBHSA-N 2 2 324.472 3.324 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283019 436416531 /nfs/dbraw/zinc/41/65/31/436416531.db2.gz ACLJRUTUIYZEFF-ROUUACIJSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CCCOC)c2ccc(F)cc2)C1 ZINC000658283019 436416535 /nfs/dbraw/zinc/41/65/35/436416535.db2.gz ACLJRUTUIYZEFF-ROUUACIJSA-N 2 2 308.441 3.367 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286788 436418243 /nfs/dbraw/zinc/41/82/43/436418243.db2.gz VDMVNIGEHIQZAY-AYOQOUSVSA-N 2 2 320.452 3.367 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000658286788 436418247 /nfs/dbraw/zinc/41/82/47/436418247.db2.gz VDMVNIGEHIQZAY-AYOQOUSVSA-N 2 2 320.452 3.367 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286895 436418920 /nfs/dbraw/zinc/41/89/20/436418920.db2.gz DAEAWSUTEXQFNW-IAGOWNOFSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286895 436418925 /nfs/dbraw/zinc/41/89/25/436418925.db2.gz DAEAWSUTEXQFNW-IAGOWNOFSA-N 2 2 317.477 3.094 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000658295715 436420798 /nfs/dbraw/zinc/42/07/98/436420798.db2.gz VHMSRWKASRZODM-XJKSGUPXSA-N 2 2 320.502 3.141 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658295830 436420956 /nfs/dbraw/zinc/42/09/56/436420956.db2.gz OVCANRXAKZBBPC-QSPRXWTASA-N 2 2 320.502 3.083 20 0 DGADLP CCCOc1c(Cl)cc(C[NH2+][C@H](C)C[NH2+]C)cc1OCC ZINC000663509168 436471914 /nfs/dbraw/zinc/47/19/14/436471914.db2.gz HPZKECHTYHLXDU-GFCCVEGCSA-N 2 2 314.857 3.225 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000663511590 436473053 /nfs/dbraw/zinc/47/30/53/436473053.db2.gz XKFRHDZSALDMLU-QGZVFWFLSA-N 2 2 312.457 3.396 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000663510096 436473154 /nfs/dbraw/zinc/47/31/54/436473154.db2.gz PDFGGQDTOXBFSZ-CQSZACIVSA-N 2 2 314.429 3.068 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000663904676 436525245 /nfs/dbraw/zinc/52/52/45/436525245.db2.gz GZWMTKAZQQSYCL-PBWFPOADSA-N 2 2 313.367 3.470 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000663904676 436525249 /nfs/dbraw/zinc/52/52/49/436525249.db2.gz GZWMTKAZQQSYCL-PBWFPOADSA-N 2 2 313.367 3.470 20 0 DGADLP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858429 436545839 /nfs/dbraw/zinc/54/58/39/436545839.db2.gz DKEODMXHOKDRQJ-SJORKVTESA-N 2 2 322.493 3.169 20 0 DGADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858429 436545840 /nfs/dbraw/zinc/54/58/40/436545840.db2.gz DKEODMXHOKDRQJ-SJORKVTESA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858429 436545842 /nfs/dbraw/zinc/54/58/42/436545842.db2.gz DKEODMXHOKDRQJ-SJORKVTESA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858429 436545845 /nfs/dbraw/zinc/54/58/45/436545845.db2.gz DKEODMXHOKDRQJ-SJORKVTESA-N 2 2 322.493 3.169 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655448764 436550462 /nfs/dbraw/zinc/55/04/62/436550462.db2.gz VNQLYUZWVVVWFF-MJGOQNOKSA-N 2 2 323.396 3.202 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCc1ccc[nH+]c1N1CCCC1 ZINC000664191942 436572886 /nfs/dbraw/zinc/57/28/86/436572886.db2.gz ONTSKWKCEQGLLC-UHFFFAOYSA-N 2 2 307.401 3.181 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000655685884 436573968 /nfs/dbraw/zinc/57/39/68/436573968.db2.gz RWIIFGQDZQGHGL-DGCLKSJQSA-N 2 2 314.882 3.305 20 0 DGADLP C[N@H+](CCC1CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991561 436573989 /nfs/dbraw/zinc/57/39/89/436573989.db2.gz VQTVIPCHNPHNSX-UHFFFAOYSA-N 2 2 301.478 3.211 20 0 DGADLP C[N@@H+](CCC1CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991561 436573990 /nfs/dbraw/zinc/57/39/90/436573990.db2.gz VQTVIPCHNPHNSX-UHFFFAOYSA-N 2 2 301.478 3.211 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655683603 436574282 /nfs/dbraw/zinc/57/42/82/436574282.db2.gz IIHTUROXQNUCKZ-GUYCJALGSA-N 2 2 308.853 3.244 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000660307327 436622036 /nfs/dbraw/zinc/62/20/36/436622036.db2.gz WIIACWSIAKRLJP-DNVCBOLYSA-N 2 2 313.445 3.237 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000660307327 436622037 /nfs/dbraw/zinc/62/20/37/436622037.db2.gz WIIACWSIAKRLJP-DNVCBOLYSA-N 2 2 313.445 3.237 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660157618 436597336 /nfs/dbraw/zinc/59/73/36/436597336.db2.gz VEAVHELMTIVXQL-CEXWTWQISA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660157618 436597338 /nfs/dbraw/zinc/59/73/38/436597338.db2.gz VEAVHELMTIVXQL-CEXWTWQISA-N 2 2 321.553 3.161 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000660177620 436599504 /nfs/dbraw/zinc/59/95/04/436599504.db2.gz DEGGAHBLPIIRSI-AAEUAGOBSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000660177620 436599506 /nfs/dbraw/zinc/59/95/06/436599506.db2.gz DEGGAHBLPIIRSI-AAEUAGOBSA-N 2 2 319.276 3.345 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194234 436602523 /nfs/dbraw/zinc/60/25/23/436602523.db2.gz GPLYQMFDCZMSHV-HOCLYGCPSA-N 2 2 310.507 3.150 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194234 436602525 /nfs/dbraw/zinc/60/25/25/436602525.db2.gz GPLYQMFDCZMSHV-HOCLYGCPSA-N 2 2 310.507 3.150 20 0 DGADLP Cc1ccc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)ccc2n1 ZINC000376758606 312983642 /nfs/dbraw/zinc/98/36/42/312983642.db2.gz PTPBAZZEENHEAL-UHFFFAOYSA-N 2 2 306.413 3.366 20 0 DGADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000529539173 313222005 /nfs/dbraw/zinc/22/20/05/313222005.db2.gz TZKAIOOLMMFQHR-QGZVFWFLSA-N 2 2 313.420 3.223 20 0 DGADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000529539173 313222007 /nfs/dbraw/zinc/22/20/07/313222007.db2.gz TZKAIOOLMMFQHR-QGZVFWFLSA-N 2 2 313.420 3.223 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583489 313232742 /nfs/dbraw/zinc/23/27/42/313232742.db2.gz OPZIORLANDWQTL-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583489 313232746 /nfs/dbraw/zinc/23/27/46/313232746.db2.gz OPZIORLANDWQTL-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583489 313232748 /nfs/dbraw/zinc/23/27/48/313232748.db2.gz OPZIORLANDWQTL-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccsc3C(F)(F)F)C2)C1 ZINC000529583489 313232753 /nfs/dbraw/zinc/23/27/53/313232753.db2.gz OPZIORLANDWQTL-ZDUSSCGKSA-N 2 2 304.381 3.295 20 0 DGADLP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529638901 313245054 /nfs/dbraw/zinc/24/50/54/313245054.db2.gz DTERFFPBSVOYGI-IBGZPJMESA-N 2 2 301.478 3.319 20 0 DGADLP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529638901 313245059 /nfs/dbraw/zinc/24/50/59/313245059.db2.gz DTERFFPBSVOYGI-IBGZPJMESA-N 2 2 301.478 3.319 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529638901 313245063 /nfs/dbraw/zinc/24/50/63/313245063.db2.gz DTERFFPBSVOYGI-IBGZPJMESA-N 3 2 301.478 3.319 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529638901 313245065 /nfs/dbraw/zinc/24/50/65/313245065.db2.gz DTERFFPBSVOYGI-IBGZPJMESA-N 3 2 301.478 3.319 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529666263 313250196 /nfs/dbraw/zinc/25/01/96/313250196.db2.gz TZPGBBQRKMTBER-UHFFFAOYSA-N 2 2 308.429 3.048 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529666263 313250199 /nfs/dbraw/zinc/25/01/99/313250199.db2.gz TZPGBBQRKMTBER-UHFFFAOYSA-N 2 2 308.429 3.048 20 0 DGADLP FC(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530176804 313334034 /nfs/dbraw/zinc/33/40/34/313334034.db2.gz CGAFUKOVRQNIGH-ZDUSSCGKSA-N 2 2 316.779 3.316 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000530463098 313373530 /nfs/dbraw/zinc/37/35/30/313373530.db2.gz WFMXBAMWYFFYSD-SNVBAGLBSA-N 2 2 311.216 3.111 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000530463098 313373531 /nfs/dbraw/zinc/37/35/31/313373531.db2.gz WFMXBAMWYFFYSD-SNVBAGLBSA-N 2 2 311.216 3.111 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530529679 313381145 /nfs/dbraw/zinc/38/11/45/313381145.db2.gz FKKJFAWBTRQFIS-DOTOQJQBSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]([NH2+]Cc1ncccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530529679 313381147 /nfs/dbraw/zinc/38/11/47/313381147.db2.gz FKKJFAWBTRQFIS-DOTOQJQBSA-N 2 2 313.420 3.221 20 0 DGADLP COc1ccc2nc(C[NH2+]CCCCn3cc[nH+]c3)sc2c1 ZINC000530547324 313382559 /nfs/dbraw/zinc/38/25/59/313382559.db2.gz YRUCWOFLPHVBHQ-UHFFFAOYSA-N 2 2 316.430 3.071 20 0 DGADLP c1cn(CCCC[NH2+][C@@H]2CSCCc3ccccc32)c[nH+]1 ZINC000532477020 313553194 /nfs/dbraw/zinc/55/31/94/313553194.db2.gz FGZKSILKUNCLSJ-QGZVFWFLSA-N 2 2 301.459 3.284 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000541737102 314035457 /nfs/dbraw/zinc/03/54/57/314035457.db2.gz QVWDBAKAQGDAJL-KBXCAEBGSA-N 2 2 322.880 3.275 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482603 314078697 /nfs/dbraw/zinc/07/86/97/314078697.db2.gz OGMPMJOIBXKUQG-JRBPQWBISA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482603 314078700 /nfs/dbraw/zinc/07/87/00/314078700.db2.gz OGMPMJOIBXKUQG-JRBPQWBISA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000543631747 314146243 /nfs/dbraw/zinc/14/62/43/314146243.db2.gz OHWNCCJFBOLWBW-IEBWSBKVSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000543631747 314146245 /nfs/dbraw/zinc/14/62/45/314146245.db2.gz OHWNCCJFBOLWBW-IEBWSBKVSA-N 2 2 308.510 3.247 20 0 DGADLP Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc(C(C)C)[nH+]1 ZINC000543712148 314151535 /nfs/dbraw/zinc/15/15/35/314151535.db2.gz KFDSSWAFWXTVAN-UHFFFAOYSA-N 2 2 307.401 3.333 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360965 314187968 /nfs/dbraw/zinc/18/79/68/314187968.db2.gz XIZRQPMHIHKWIG-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000544360965 314187971 /nfs/dbraw/zinc/18/79/71/314187971.db2.gz XIZRQPMHIHKWIG-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579586 314201186 /nfs/dbraw/zinc/20/11/86/314201186.db2.gz VIAJCBBLJNKYFM-IEBWSBKVSA-N 2 2 320.477 3.376 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C2CCC2)o1 ZINC000544579586 314201187 /nfs/dbraw/zinc/20/11/87/314201187.db2.gz VIAJCBBLJNKYFM-IEBWSBKVSA-N 2 2 320.477 3.376 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000545310329 314243754 /nfs/dbraw/zinc/24/37/54/314243754.db2.gz KDTFLTZHMAIKLY-SNRMKQJTSA-N 2 2 304.478 3.473 20 0 DGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000547467059 314370026 /nfs/dbraw/zinc/37/00/26/314370026.db2.gz GDEBVTXLGGWFNC-LBPRGKRZSA-N 2 2 300.406 3.182 20 0 DGADLP Brc1c[nH+]ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000547512432 314375588 /nfs/dbraw/zinc/37/55/88/314375588.db2.gz XOBJVNPXJKPNHP-UHFFFAOYSA-N 2 2 324.266 3.299 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC000551012963 314547601 /nfs/dbraw/zinc/54/76/01/314547601.db2.gz DFOUFQXQSLUPPO-RBUKOAKNSA-N 2 2 310.441 3.191 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000558722519 314861276 /nfs/dbraw/zinc/86/12/76/314861276.db2.gz JSDPILSUPBGTLS-OAHLLOKOSA-N 2 2 318.383 3.060 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCOCC1 ZINC000562102429 314997362 /nfs/dbraw/zinc/99/73/62/314997362.db2.gz FKMGYLJMLNYGNR-IBGZPJMESA-N 2 2 313.445 3.226 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]CC3(O)CCCC3)ccc2n1C1CC1 ZINC000563010559 315070178 /nfs/dbraw/zinc/07/01/78/315070178.db2.gz FSDDGSSFPCKAQV-UHFFFAOYSA-N 2 2 313.445 3.328 20 0 DGADLP c1nc(NC2CC[NH+](C3CCCCC3)CC2)cc(NC2CC2)[nH+]1 ZINC000563305145 315101141 /nfs/dbraw/zinc/10/11/41/315101141.db2.gz GCFGGEAPUFQCEH-UHFFFAOYSA-N 2 2 315.465 3.260 20 0 DGADLP c1nc(NC2CC2)cc(NC2CC[NH+](C3CCCCC3)CC2)[nH+]1 ZINC000563305145 315101143 /nfs/dbraw/zinc/10/11/43/315101143.db2.gz GCFGGEAPUFQCEH-UHFFFAOYSA-N 2 2 315.465 3.260 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000563349927 315104931 /nfs/dbraw/zinc/10/49/31/315104931.db2.gz JNJYQFNOJPIVCT-GFCCVEGCSA-N 2 2 323.799 3.081 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000563349927 315104934 /nfs/dbraw/zinc/10/49/34/315104934.db2.gz JNJYQFNOJPIVCT-GFCCVEGCSA-N 2 2 323.799 3.081 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@H]3CCC[N@H+](C)C3)c2cc1F ZINC000563912232 315146246 /nfs/dbraw/zinc/14/62/46/315146246.db2.gz ZNNAXKJDZKVDKC-GFCCVEGCSA-N 2 2 303.381 3.136 20 0 DGADLP COc1cc2cc[nH+]c(NC[C@H]3CCC[N@@H+](C)C3)c2cc1F ZINC000563912232 315146249 /nfs/dbraw/zinc/14/62/49/315146249.db2.gz ZNNAXKJDZKVDKC-GFCCVEGCSA-N 2 2 303.381 3.136 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322899 315169224 /nfs/dbraw/zinc/16/92/24/315169224.db2.gz COBNFIODWWWWHF-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322899 315169227 /nfs/dbraw/zinc/16/92/27/315169227.db2.gz COBNFIODWWWWHF-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322899 315169230 /nfs/dbraw/zinc/16/92/30/315169230.db2.gz COBNFIODWWWWHF-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564322899 315169232 /nfs/dbraw/zinc/16/92/32/315169232.db2.gz COBNFIODWWWWHF-RBUKOAKNSA-N 2 2 322.456 3.060 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000564465694 315177877 /nfs/dbraw/zinc/17/78/77/315177877.db2.gz RYXKGKSPHACCRB-GOSISDBHSA-N 2 2 323.444 3.077 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000564465694 315177878 /nfs/dbraw/zinc/17/78/78/315177878.db2.gz RYXKGKSPHACCRB-GOSISDBHSA-N 2 2 323.444 3.077 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000564783253 315199498 /nfs/dbraw/zinc/19/94/98/315199498.db2.gz GWOGXEGCNRMLBR-LBPRGKRZSA-N 2 2 320.234 3.441 20 0 DGADLP CCOc1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000565154392 315234955 /nfs/dbraw/zinc/23/49/55/315234955.db2.gz ATORJKXJPAONRC-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP CCOc1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000565154392 315234957 /nfs/dbraw/zinc/23/49/57/315234957.db2.gz ATORJKXJPAONRC-UHFFFAOYSA-N 2 2 307.825 3.457 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565783868 315287568 /nfs/dbraw/zinc/28/75/68/315287568.db2.gz DUPCNFBQIRHFAP-RBUKOAKNSA-N 2 2 322.456 3.052 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565783868 315287570 /nfs/dbraw/zinc/28/75/70/315287570.db2.gz DUPCNFBQIRHFAP-RBUKOAKNSA-N 2 2 322.456 3.052 20 0 DGADLP Cc1ccc2cc[nH+]c(N3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000566148582 315317050 /nfs/dbraw/zinc/31/70/50/315317050.db2.gz DVIZBLQXJAZMRS-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566473513 315350751 /nfs/dbraw/zinc/35/07/51/315350751.db2.gz CDVUHHLDVXZHPP-HHXXYDBFSA-N 2 2 324.472 3.489 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566473513 315350753 /nfs/dbraw/zinc/35/07/53/315350753.db2.gz CDVUHHLDVXZHPP-HHXXYDBFSA-N 2 2 324.472 3.489 20 0 DGADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)Cc1ccc2ccccc2c1 ZINC000572235967 315777155 /nfs/dbraw/zinc/77/71/55/315777155.db2.gz QEAIDFOWEQDUGI-FQEVSTJZSA-N 2 2 323.440 3.010 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCC2 ZINC000573472808 315870750 /nfs/dbraw/zinc/87/07/50/315870750.db2.gz JTLNAJUYICWXAC-LBPRGKRZSA-N 2 2 305.491 3.157 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000575021538 316025901 /nfs/dbraw/zinc/02/59/01/316025901.db2.gz ZHDBDMMPOZUIMS-VQTJNVASSA-N 2 2 310.441 3.321 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccn1 ZINC000575072217 316030891 /nfs/dbraw/zinc/03/08/91/316030891.db2.gz VFBQZAIVZBVTGH-KHYOSLBOSA-N 2 2 311.429 3.039 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000576695510 316157616 /nfs/dbraw/zinc/15/76/16/316157616.db2.gz CBFLVGSVZOANOG-SUMWQHHRSA-N 2 2 315.461 3.000 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562073 316247487 /nfs/dbraw/zinc/24/74/87/316247487.db2.gz PEEKGQIGRGHQHM-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562073 316247489 /nfs/dbraw/zinc/24/74/89/316247489.db2.gz PEEKGQIGRGHQHM-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562073 316247492 /nfs/dbraw/zinc/24/74/92/316247492.db2.gz PEEKGQIGRGHQHM-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000577562073 316247494 /nfs/dbraw/zinc/24/74/94/316247494.db2.gz PEEKGQIGRGHQHM-KSSFIOAISA-N 2 2 301.409 3.223 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000181586408 323260310 /nfs/dbraw/zinc/26/03/10/323260310.db2.gz UWUBQDBGWVAJDY-HOTGVXAUSA-N 2 2 301.434 3.289 20 0 DGADLP Fc1ccc([C@H]2CN(CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000182747426 323310754 /nfs/dbraw/zinc/31/07/54/323310754.db2.gz BYMATEJIJMOWDV-MRXNPFEDSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1ccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000182747426 323310758 /nfs/dbraw/zinc/31/07/58/323310758.db2.gz BYMATEJIJMOWDV-MRXNPFEDSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1ccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000182747426 323310762 /nfs/dbraw/zinc/31/07/62/323310762.db2.gz BYMATEJIJMOWDV-MRXNPFEDSA-N 2 2 323.799 3.139 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000183214566 323329955 /nfs/dbraw/zinc/32/99/55/323329955.db2.gz IWAUGXUQXDIDCZ-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1F ZINC000183214566 323329961 /nfs/dbraw/zinc/32/99/61/323329961.db2.gz IWAUGXUQXDIDCZ-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000185303955 323386992 /nfs/dbraw/zinc/38/69/92/323386992.db2.gz JPCZFGMVCOGUJG-DZKIICNBSA-N 2 2 320.452 3.228 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000185303955 323386997 /nfs/dbraw/zinc/38/69/97/323386997.db2.gz JPCZFGMVCOGUJG-DZKIICNBSA-N 2 2 320.452 3.228 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682239 323393310 /nfs/dbraw/zinc/39/33/10/323393310.db2.gz ZVOSHAOYHHCWRH-HIFRSBDPSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682239 323393313 /nfs/dbraw/zinc/39/33/13/323393313.db2.gz ZVOSHAOYHHCWRH-HIFRSBDPSA-N 2 2 307.869 3.478 20 0 DGADLP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000579225172 323840103 /nfs/dbraw/zinc/84/01/03/323840103.db2.gz ROQJAMCCMXXAIL-JTQLQIEISA-N 2 2 303.219 3.238 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000580614796 324018927 /nfs/dbraw/zinc/01/89/27/324018927.db2.gz DWMAUVVRGDHODV-APWZRJJASA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000580614796 324018931 /nfs/dbraw/zinc/01/89/31/324018931.db2.gz DWMAUVVRGDHODV-APWZRJJASA-N 2 2 302.462 3.323 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cncc(Br)c1 ZINC000580844641 324046195 /nfs/dbraw/zinc/04/61/95/324046195.db2.gz OVUDTUGFNUDLFI-NSHDSACASA-N 2 2 324.266 3.122 20 0 DGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000581045092 324067433 /nfs/dbraw/zinc/06/74/33/324067433.db2.gz DESFLCVUMLQWMC-UHFFFAOYSA-N 2 2 321.365 3.129 20 0 DGADLP c1cn(Cc2ccccc2)c(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)[nH+]1 ZINC000581072281 324071269 /nfs/dbraw/zinc/07/12/69/324071269.db2.gz WCWIWYYZGBIMQZ-MOPGFXCFSA-N 2 2 324.472 3.038 20 0 DGADLP C[C@H]([NH2+][C@H](CO)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000581364032 324109689 /nfs/dbraw/zinc/10/96/89/324109689.db2.gz KMOMODYHJNVUBR-MISXGVKJSA-N 2 2 317.260 3.005 20 0 DGADLP CC[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)Oc1cccc(Cl)c1 ZINC000582014443 324179617 /nfs/dbraw/zinc/17/96/17/324179617.db2.gz RZJRBEAVPRSGMJ-OAHLLOKOSA-N 2 2 307.825 3.329 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@H](c4ccncc4)C3)c[nH+]c12 ZINC000582102854 324189328 /nfs/dbraw/zinc/18/93/28/324189328.db2.gz LXRRHFIUNFPJFL-WMZOPIPTSA-N 2 2 322.412 3.048 20 0 DGADLP CCc1cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000583730903 324390076 /nfs/dbraw/zinc/39/00/76/324390076.db2.gz VGDFQYHKUFZTBY-UHFFFAOYSA-N 2 2 314.433 3.149 20 0 DGADLP C[NH+](C)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)Cc1ccccc1 ZINC000584266344 332176573 /nfs/dbraw/zinc/17/65/73/332176573.db2.gz BBOFFAJFGFOSKH-GPJFCIFZSA-N 2 2 316.489 3.241 20 0 DGADLP CC(C)[NH2+]CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000584666515 337378416 /nfs/dbraw/zinc/37/84/16/337378416.db2.gz YDYCZIOTBJOEGB-UHFFFAOYSA-N 2 2 319.792 3.464 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415116045 533783914 /nfs/dbraw/zinc/78/39/14/533783914.db2.gz AXXHBINJNMYAIJ-MDASCCDHSA-N 2 2 320.452 3.005 20 0 DGADLP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415116045 533783927 /nfs/dbraw/zinc/78/39/27/533783927.db2.gz AXXHBINJNMYAIJ-MDASCCDHSA-N 2 2 320.452 3.005 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccccc3F)n2)CC[C@@H]1[NH3+] ZINC000430957780 533961744 /nfs/dbraw/zinc/96/17/44/533961744.db2.gz UMKYSDPKOUWOIP-NHYWBVRUSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccccc3F)n2)CC[C@@H]1[NH3+] ZINC000430957780 533961748 /nfs/dbraw/zinc/96/17/48/533961748.db2.gz UMKYSDPKOUWOIP-NHYWBVRUSA-N 2 2 305.422 3.118 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc[nH+]1 ZINC000302134744 534003391 /nfs/dbraw/zinc/00/33/91/534003391.db2.gz HOZVLWXHYOQERG-CEXWTWQISA-N 2 2 322.456 3.498 20 0 DGADLP Cc1cc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc[nH+]1 ZINC000302134744 534003396 /nfs/dbraw/zinc/00/33/96/534003396.db2.gz HOZVLWXHYOQERG-CEXWTWQISA-N 2 2 322.456 3.498 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cs2)o1 ZINC000435622329 534213477 /nfs/dbraw/zinc/21/34/77/534213477.db2.gz RBQCTSIBODNJJJ-CQSZACIVSA-N 2 2 305.447 3.285 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cs2)o1 ZINC000435622329 534213480 /nfs/dbraw/zinc/21/34/80/534213480.db2.gz RBQCTSIBODNJJJ-CQSZACIVSA-N 2 2 305.447 3.285 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430936307 534479347 /nfs/dbraw/zinc/47/93/47/534479347.db2.gz UABXZFMONIFZNR-MNEFBYGVSA-N 2 2 323.440 3.036 20 0 DGADLP C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430936307 534479354 /nfs/dbraw/zinc/47/93/54/534479354.db2.gz UABXZFMONIFZNR-MNEFBYGVSA-N 2 2 323.440 3.036 20 0 DGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000292819937 534492065 /nfs/dbraw/zinc/49/20/65/534492065.db2.gz AWRCDXYZMFEMSF-LPHOPBHVSA-N 2 2 320.452 3.369 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccn2)cc1 ZINC000427860477 534497060 /nfs/dbraw/zinc/49/70/60/534497060.db2.gz AHFQBKUSIUBBMZ-APWZRJJASA-N 2 2 322.387 3.111 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430573672 534526797 /nfs/dbraw/zinc/52/67/97/534526797.db2.gz HHXKSZQEUONTQF-INIZCTEOSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430573672 534526805 /nfs/dbraw/zinc/52/68/05/534526805.db2.gz HHXKSZQEUONTQF-INIZCTEOSA-N 2 2 301.434 3.455 20 0 DGADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153193317 521782139 /nfs/dbraw/zinc/78/21/39/521782139.db2.gz UPOLFULUKVNALL-JKSUJKDBSA-N 2 2 322.518 3.418 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000156549669 522729821 /nfs/dbraw/zinc/72/98/21/522729821.db2.gz GKRKFXCOKRMCGC-KRWDZBQOSA-N 2 2 306.450 3.354 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000295994374 534683893 /nfs/dbraw/zinc/68/38/93/534683893.db2.gz NXFUVMJTDJQKND-CZUORRHYSA-N 2 2 309.417 3.227 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+](C)C)cc1 ZINC000157461102 524048725 /nfs/dbraw/zinc/04/87/25/524048725.db2.gz HVPTZDVEQXBTEC-LPHOPBHVSA-N 2 2 314.477 3.117 20 0 DGADLP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000157403135 524259150 /nfs/dbraw/zinc/25/91/50/524259150.db2.gz SBOAZXKDAPRZOQ-MRXNPFEDSA-N 2 2 313.445 3.250 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000157638061 524548214 /nfs/dbraw/zinc/54/82/14/524548214.db2.gz PQPSQWSJFJZXSV-ULQDDVLXSA-N 2 2 306.498 3.008 20 0 DGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427888654 534878968 /nfs/dbraw/zinc/87/89/68/534878968.db2.gz XRUZFTUVBBVFNN-YPMHNXCESA-N 2 2 304.463 3.437 20 0 DGADLP Brc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)s1 ZINC000423239095 526643920 /nfs/dbraw/zinc/64/39/20/526643920.db2.gz RUTFUCNNLNWZOF-MFKMUULPSA-N 2 2 315.280 3.303 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000415052876 526697092 /nfs/dbraw/zinc/69/70/92/526697092.db2.gz IQUGCBYGEDYYGH-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912715 527277335 /nfs/dbraw/zinc/27/73/35/527277335.db2.gz ILFDPGDSGHUCGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000294912715 527277342 /nfs/dbraw/zinc/27/73/42/527277342.db2.gz ILFDPGDSGHUCGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000294912715 527277347 /nfs/dbraw/zinc/27/73/47/527277347.db2.gz ILFDPGDSGHUCGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000294912715 527277348 /nfs/dbraw/zinc/27/73/48/527277348.db2.gz ILFDPGDSGHUCGM-UYAOXDASSA-N 2 2 312.457 3.338 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cc(C)ccc1C ZINC000434994038 527900479 /nfs/dbraw/zinc/90/04/79/527900479.db2.gz GMSKCJRVHQZSFM-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cc(C)ccc1C ZINC000434994038 527900484 /nfs/dbraw/zinc/90/04/84/527900484.db2.gz GMSKCJRVHQZSFM-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cc(C)ccc1C ZINC000434994038 527900488 /nfs/dbraw/zinc/90/04/88/527900488.db2.gz GMSKCJRVHQZSFM-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cc(C)ccc1C ZINC000434994038 527900495 /nfs/dbraw/zinc/90/04/95/527900495.db2.gz GMSKCJRVHQZSFM-MSOLQXFVSA-N 2 2 302.462 3.241 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000430573036 527943263 /nfs/dbraw/zinc/94/32/63/527943263.db2.gz QMOLKXODKUVXPF-AWEZNQCLSA-N 2 2 315.248 3.104 20 0 DGADLP CC1([NH2+]Cc2cc(Br)ccc2Cl)CC[NH2+]CC1 ZINC000414933298 528032618 /nfs/dbraw/zinc/03/26/18/528032618.db2.gz DOILIZJNZGZLEB-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP CCOc1c(Cl)cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415057130 528173376 /nfs/dbraw/zinc/17/33/76/528173376.db2.gz QZFHETYOOMDCJP-CQSZACIVSA-N 2 2 314.857 3.210 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430584504 528198130 /nfs/dbraw/zinc/19/81/30/528198130.db2.gz ZKKFJXHFQHKYGG-PMPSAXMXSA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430584504 528198135 /nfs/dbraw/zinc/19/81/35/528198135.db2.gz ZKKFJXHFQHKYGG-PMPSAXMXSA-N 2 2 317.477 3.196 20 0 DGADLP CC(C)c1cnc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000328642190 528216357 /nfs/dbraw/zinc/21/63/57/528216357.db2.gz QYLYQFIRORYLMV-JSGCOSHPSA-N 2 2 320.462 3.010 20 0 DGADLP CC(C)c1nc(N[C@@H](C)Cn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000433616905 528265532 /nfs/dbraw/zinc/26/55/32/528265532.db2.gz MCUWMPAFJDUPLF-ZDUSSCGKSA-N 2 2 301.438 3.017 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415058498 528388117 /nfs/dbraw/zinc/38/81/17/528388117.db2.gz SZIKCSWHWFCURT-QGZVFWFLSA-N 2 2 314.477 3.459 20 0 DGADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166942176 528500185 /nfs/dbraw/zinc/50/01/85/528500185.db2.gz OBJQMPWGKUMSTI-OAHLLOKOSA-N 2 2 319.792 3.449 20 0 DGADLP CC[N@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435391787 528880334 /nfs/dbraw/zinc/88/03/34/528880334.db2.gz UGGLFCIZEYLIHL-OAHLLOKOSA-N 2 2 316.474 3.169 20 0 DGADLP CC[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435391787 528880337 /nfs/dbraw/zinc/88/03/37/528880337.db2.gz UGGLFCIZEYLIHL-OAHLLOKOSA-N 2 2 316.474 3.169 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000317290794 529046456 /nfs/dbraw/zinc/04/64/56/529046456.db2.gz SEMDIAXDPLVWAO-CQSZACIVSA-N 2 2 322.840 3.195 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000317290794 529046461 /nfs/dbraw/zinc/04/64/61/529046461.db2.gz SEMDIAXDPLVWAO-CQSZACIVSA-N 2 2 322.840 3.195 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccsc1 ZINC000423224470 529210071 /nfs/dbraw/zinc/21/00/71/529210071.db2.gz BZJRXKGADOSQGH-OAHLLOKOSA-N 2 2 302.447 3.116 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000493763134 535151465 /nfs/dbraw/zinc/15/14/65/535151465.db2.gz DIBZTBYWYJKCCV-UONOGXRCSA-N 2 2 314.433 3.272 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000471795836 535215274 /nfs/dbraw/zinc/21/52/74/535215274.db2.gz AVWVHMRHLFXUOP-SFHVURJKSA-N 2 2 304.478 3.182 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000471795836 535215275 /nfs/dbraw/zinc/21/52/75/535215275.db2.gz AVWVHMRHLFXUOP-SFHVURJKSA-N 2 2 304.478 3.182 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459419844 535505785 /nfs/dbraw/zinc/50/57/85/535505785.db2.gz XLTRYJBOIPWXLF-DZJNRPSUSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459419844 535505788 /nfs/dbraw/zinc/50/57/88/535505788.db2.gz XLTRYJBOIPWXLF-DZJNRPSUSA-N 2 2 322.518 3.006 20 0 DGADLP CCOc1ccc(C[N@H+](CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000297983022 535716770 /nfs/dbraw/zinc/71/67/70/535716770.db2.gz YFFDXFRYZNCIOU-UHFFFAOYSA-N 2 2 301.434 3.272 20 0 DGADLP CCOc1ccc(C[N@@H+](CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000297983022 535716777 /nfs/dbraw/zinc/71/67/77/535716777.db2.gz YFFDXFRYZNCIOU-UHFFFAOYSA-N 2 2 301.434 3.272 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000449187020 536835142 /nfs/dbraw/zinc/83/51/42/536835142.db2.gz DCDCIQQLODLMJY-ACAXCVFMSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449187020 536835148 /nfs/dbraw/zinc/83/51/48/536835148.db2.gz DCDCIQQLODLMJY-ACAXCVFMSA-N 2 2 316.489 3.444 20 0 DGADLP COc1cccc2c(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cccc12 ZINC000449336618 536933069 /nfs/dbraw/zinc/93/30/69/536933069.db2.gz NWYLCUXYAPPULW-CQSZACIVSA-N 2 2 307.397 3.219 20 0 DGADLP COc1cccc2c(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cccc12 ZINC000449336618 536933074 /nfs/dbraw/zinc/93/30/74/536933074.db2.gz NWYLCUXYAPPULW-CQSZACIVSA-N 2 2 307.397 3.219 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[NH+]2CCC(OC)CC2)C(C)C)cc1 ZINC000091368253 545836419 /nfs/dbraw/zinc/83/64/19/545836419.db2.gz HMMKZEXWFDKAHR-LJQANCHMSA-N 2 2 320.477 3.093 20 0 DGADLP Cc1cccn2c(C[NH2+]C3CCC(OC(C)C)CC3)c[nH+]c12 ZINC000130150692 545947678 /nfs/dbraw/zinc/94/76/78/545947678.db2.gz XEWJRNIDFVJFJX-UHFFFAOYSA-N 2 2 301.434 3.469 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000154157932 546015234 /nfs/dbraw/zinc/01/52/34/546015234.db2.gz KAVRRRWXBMDCPO-YJBOKZPZSA-N 2 2 302.462 3.244 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000161602095 546071603 /nfs/dbraw/zinc/07/16/03/546071603.db2.gz CCAGVRSWPQUMFK-YLJYHZDGSA-N 2 2 315.505 3.113 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)c1 ZINC000165967033 546094138 /nfs/dbraw/zinc/09/41/38/546094138.db2.gz VBBOVEPSRCWTHL-KURKYZTESA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)c1 ZINC000165967033 546094143 /nfs/dbraw/zinc/09/41/43/546094143.db2.gz VBBOVEPSRCWTHL-KURKYZTESA-N 2 2 317.477 3.023 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)C)no2)[C@H](C)C1 ZINC000169234420 546098696 /nfs/dbraw/zinc/09/86/96/546098696.db2.gz DACHBRJOCBEMPM-NVXWUHKLSA-N 2 2 323.481 3.025 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(C)C)no2)[C@H](C)C1 ZINC000169234420 546098700 /nfs/dbraw/zinc/09/87/00/546098700.db2.gz DACHBRJOCBEMPM-NVXWUHKLSA-N 2 2 323.481 3.025 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CC[NH+]2CCCC2)ccc1OC(F)F ZINC000178308520 546128542 /nfs/dbraw/zinc/12/85/42/546128542.db2.gz FOEKUDUBJFKOBK-GFCCVEGCSA-N 2 2 314.376 3.043 20 0 DGADLP CC[NH+](CC)CCCNc1[nH+]ccc(C)c1Br ZINC000233423307 546277578 /nfs/dbraw/zinc/27/75/78/546277578.db2.gz DTIJIUTWRNZHRU-UHFFFAOYSA-N 2 2 300.244 3.296 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993389 546307921 /nfs/dbraw/zinc/30/79/21/546307921.db2.gz KITKKVJTBXVRFJ-VBQJREDUSA-N 2 2 300.450 3.332 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2ccccc2[nH]1 ZINC000246993389 546307925 /nfs/dbraw/zinc/30/79/25/546307925.db2.gz KITKKVJTBXVRFJ-VBQJREDUSA-N 2 2 300.450 3.332 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(C)cc2Br)CC[C@H]1[NH3+] ZINC000251865340 546330934 /nfs/dbraw/zinc/33/09/34/546330934.db2.gz TZDVKJSRWNUERG-SWLSCSKDSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2Br)CC[C@H]1[NH3+] ZINC000251865340 546330937 /nfs/dbraw/zinc/33/09/37/546330937.db2.gz TZDVKJSRWNUERG-SWLSCSKDSA-N 2 2 311.267 3.317 20 0 DGADLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc2ccccc2n1C(F)F ZINC000276611404 546367299 /nfs/dbraw/zinc/36/72/99/546367299.db2.gz GUIARBVGFWQIJC-NSHDSACASA-N 2 2 319.359 3.058 20 0 DGADLP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1[nH]cc[nH+]1 ZINC000286359298 546402653 /nfs/dbraw/zinc/40/26/53/546402653.db2.gz ZPLDNVZAJVRFTO-CYBMUJFWSA-N 2 2 302.447 3.132 20 0 DGADLP CCCn1nccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303715890 546440038 /nfs/dbraw/zinc/44/00/38/546440038.db2.gz LMIVUSCNVLRQAT-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000319762845 546465295 /nfs/dbraw/zinc/46/52/95/546465295.db2.gz DRICOTXREYKMQZ-YLJYHZDGSA-N 3 2 317.521 3.389 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255018 546583972 /nfs/dbraw/zinc/58/39/72/546583972.db2.gz UEPUUWPIEDKAJP-QFBILLFUSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255018 546583976 /nfs/dbraw/zinc/58/39/76/546583976.db2.gz UEPUUWPIEDKAJP-QFBILLFUSA-N 2 2 314.473 3.198 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352783082 546656088 /nfs/dbraw/zinc/65/60/88/546656088.db2.gz XAGYREPTXSVCSI-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000352783082 546656093 /nfs/dbraw/zinc/65/60/93/546656093.db2.gz XAGYREPTXSVCSI-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000381105870 546737300 /nfs/dbraw/zinc/73/73/00/546737300.db2.gz BAHKTNZFPYFUPO-NBMJBFSESA-N 2 2 304.478 3.300 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000381105870 546737306 /nfs/dbraw/zinc/73/73/06/546737306.db2.gz BAHKTNZFPYFUPO-NBMJBFSESA-N 2 2 304.478 3.300 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000381105869 546737893 /nfs/dbraw/zinc/73/78/93/546737893.db2.gz BAHKTNZFPYFUPO-ISARSNTHSA-N 2 2 304.478 3.300 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000381105869 546737894 /nfs/dbraw/zinc/73/78/94/546737894.db2.gz BAHKTNZFPYFUPO-ISARSNTHSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390621287 546753952 /nfs/dbraw/zinc/75/39/52/546753952.db2.gz ZNYQYJXIXQQBDE-PXNSSMCTSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390621287 546753957 /nfs/dbraw/zinc/75/39/57/546753957.db2.gz ZNYQYJXIXQQBDE-PXNSSMCTSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401063332 546765379 /nfs/dbraw/zinc/76/53/79/546765379.db2.gz VTFUNRONPSICDK-HXUWFJFHSA-N 2 2 323.484 3.495 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401063332 546765381 /nfs/dbraw/zinc/76/53/81/546765381.db2.gz VTFUNRONPSICDK-HXUWFJFHSA-N 2 2 323.484 3.495 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052130 546765476 /nfs/dbraw/zinc/76/54/76/546765476.db2.gz WYZGRGIHTGFVDI-ICSRJNTNSA-N 2 2 323.484 3.494 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052130 546765479 /nfs/dbraw/zinc/76/54/79/546765479.db2.gz WYZGRGIHTGFVDI-ICSRJNTNSA-N 2 2 323.484 3.494 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1C ZINC000419702402 546805113 /nfs/dbraw/zinc/80/51/13/546805113.db2.gz BKLVCRAVISTYGD-ZBFHGGJFSA-N 2 2 316.424 3.051 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(COCc2ccccc2)cc1 ZINC000422860835 546806815 /nfs/dbraw/zinc/80/68/15/546806815.db2.gz LWRHJJQVEVOURJ-DYESRHJHSA-N 2 2 324.468 3.491 20 0 DGADLP Cc1cc(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nc(C)[nH+]1 ZINC000436299215 546822566 /nfs/dbraw/zinc/82/25/66/546822566.db2.gz FBLVBBSLHKVTTK-CQSZACIVSA-N 2 2 312.417 3.230 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000494925902 546936335 /nfs/dbraw/zinc/93/63/35/546936335.db2.gz VPJDQTWFIWBRGT-TZMCWYRMSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000494925902 546936338 /nfs/dbraw/zinc/93/63/38/546936338.db2.gz VPJDQTWFIWBRGT-TZMCWYRMSA-N 2 2 302.447 3.300 20 0 DGADLP CC/C=C\CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000588476081 547026985 /nfs/dbraw/zinc/02/69/85/547026985.db2.gz QOXXHLFGCMXLBY-PLNGDYQASA-N 2 2 301.478 3.377 20 0 DGADLP CC/C=C\CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000588476081 547026987 /nfs/dbraw/zinc/02/69/87/547026987.db2.gz QOXXHLFGCMXLBY-PLNGDYQASA-N 2 2 301.478 3.377 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000608495100 547041283 /nfs/dbraw/zinc/04/12/83/547041283.db2.gz HPGHHMOSRHGOMJ-OAHLLOKOSA-N 2 2 317.458 3.321 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000608495100 547041287 /nfs/dbraw/zinc/04/12/87/547041287.db2.gz HPGHHMOSRHGOMJ-OAHLLOKOSA-N 2 2 317.458 3.321 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1C ZINC000667499604 547204180 /nfs/dbraw/zinc/20/41/80/547204180.db2.gz PNDBZWUUQLSPNS-UHFFFAOYSA-N 2 2 313.323 3.259 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)n1C ZINC000667499604 547204185 /nfs/dbraw/zinc/20/41/85/547204185.db2.gz PNDBZWUUQLSPNS-UHFFFAOYSA-N 2 2 313.323 3.259 20 0 DGADLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(OC)cc1 ZINC000667506266 547205541 /nfs/dbraw/zinc/20/55/41/547205541.db2.gz DGMRHIWBEQUCDI-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP COc1cccc(C[N@@H+](Cc2c[nH+]c(C)n2C)CC(C)C)c1 ZINC000667522226 547210537 /nfs/dbraw/zinc/21/05/37/547210537.db2.gz XWAZDSHTFGPUHH-UHFFFAOYSA-N 2 2 301.434 3.395 20 0 DGADLP COc1cccc(C[N@H+](Cc2c[nH+]c(C)n2C)CC(C)C)c1 ZINC000667522226 547210541 /nfs/dbraw/zinc/21/05/41/547210541.db2.gz XWAZDSHTFGPUHH-UHFFFAOYSA-N 2 2 301.434 3.395 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)n1C ZINC000667598619 547238953 /nfs/dbraw/zinc/23/89/53/547238953.db2.gz XXHCELUPVOHZOQ-KRWDZBQOSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)n1C ZINC000667598619 547238955 /nfs/dbraw/zinc/23/89/55/547238955.db2.gz XXHCELUPVOHZOQ-KRWDZBQOSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)n1C ZINC000667657241 547261280 /nfs/dbraw/zinc/26/12/80/547261280.db2.gz DPJFDKQODBWSQF-CXAGYDPISA-N 2 2 301.459 3.407 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)n1C ZINC000667657241 547261282 /nfs/dbraw/zinc/26/12/82/547261282.db2.gz DPJFDKQODBWSQF-CXAGYDPISA-N 2 2 301.459 3.407 20 0 DGADLP c1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673162 547270241 /nfs/dbraw/zinc/27/02/41/547270241.db2.gz TVQMOJICIYEDAP-IAGOWNOFSA-N 2 2 314.458 3.127 20 0 DGADLP c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673162 547270244 /nfs/dbraw/zinc/27/02/44/547270244.db2.gz TVQMOJICIYEDAP-IAGOWNOFSA-N 2 2 314.458 3.127 20 0 DGADLP Cc1[nH+]cc(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)n1C ZINC000667682742 547272840 /nfs/dbraw/zinc/27/28/40/547272840.db2.gz VQDZJUXGMWCYKY-UHFFFAOYSA-N 2 2 318.509 3.061 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000667689810 547274465 /nfs/dbraw/zinc/27/44/65/547274465.db2.gz IULWZBZWONSRHQ-DNVCBOLYSA-N 2 2 304.397 3.460 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000667689810 547274466 /nfs/dbraw/zinc/27/44/66/547274466.db2.gz IULWZBZWONSRHQ-DNVCBOLYSA-N 2 2 304.397 3.460 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705578 547281739 /nfs/dbraw/zinc/28/17/39/547281739.db2.gz GXZFBFLIOQSVQI-PBHICJAKSA-N 2 2 318.436 3.283 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705578 547281743 /nfs/dbraw/zinc/28/17/43/547281743.db2.gz GXZFBFLIOQSVQI-PBHICJAKSA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705578 547281746 /nfs/dbraw/zinc/28/17/46/547281746.db2.gz GXZFBFLIOQSVQI-PBHICJAKSA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OC4CC4)c3F)CC[C@@H]21 ZINC000667705578 547281749 /nfs/dbraw/zinc/28/17/49/547281749.db2.gz GXZFBFLIOQSVQI-PBHICJAKSA-N 2 2 318.436 3.283 20 0 DGADLP c1csc([C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)[NH+]2CCCC2)c1 ZINC000667761788 547295247 /nfs/dbraw/zinc/29/52/47/547295247.db2.gz CNIAGYHWNHUHJU-OWCLPIDISA-N 2 2 306.475 3.042 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667966445 547349890 /nfs/dbraw/zinc/34/98/90/547349890.db2.gz JNHQHULFHMTDBA-UHFFFAOYSA-N 3 2 306.498 3.063 20 0 DGADLP Cc1ccc2c(c1)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000668479286 547465001 /nfs/dbraw/zinc/46/50/01/547465001.db2.gz NSTSXJUTFSTERY-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1ccc2c(c1)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000668479286 547465005 /nfs/dbraw/zinc/46/50/05/547465005.db2.gz NSTSXJUTFSTERY-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668485401 547467055 /nfs/dbraw/zinc/46/70/55/547467055.db2.gz ZGLPUQRNNOYTCV-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCOC(C3CC3)(C3CC3)C2)c[nH+]1 ZINC000668684487 547508527 /nfs/dbraw/zinc/50/85/27/547508527.db2.gz KPGCOGFNEQWOME-UHFFFAOYSA-N 2 2 300.446 3.214 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000668714929 547517572 /nfs/dbraw/zinc/51/75/72/547517572.db2.gz GTOCFPVXORGCKU-AWEZNQCLSA-N 2 2 317.260 3.101 20 0 DGADLP Cc1ccc(CCC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c[nH+]1 ZINC000668784172 547539910 /nfs/dbraw/zinc/53/99/10/547539910.db2.gz BUHHUATWNRJTAZ-KDURUIRLSA-N 2 2 300.446 3.215 20 0 DGADLP Cc1ccc(CCC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c[nH+]1 ZINC000668784172 547539914 /nfs/dbraw/zinc/53/99/14/547539914.db2.gz BUHHUATWNRJTAZ-KDURUIRLSA-N 2 2 300.446 3.215 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000668793372 547543241 /nfs/dbraw/zinc/54/32/41/547543241.db2.gz YVWKCIZADYNISG-QUCCMNQESA-N 2 2 324.472 3.053 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668792963 547543453 /nfs/dbraw/zinc/54/34/53/547543453.db2.gz OOOYRKMQHROXEV-UHFFFAOYSA-N 2 2 318.852 3.013 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986317 547767992 /nfs/dbraw/zinc/76/79/92/547767992.db2.gz CGVPXPUPXVGVEQ-RTBURBONSA-N 2 2 320.452 3.464 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986317 547767998 /nfs/dbraw/zinc/76/79/98/547767998.db2.gz CGVPXPUPXVGVEQ-RTBURBONSA-N 2 2 320.452 3.464 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000671306513 547786853 /nfs/dbraw/zinc/78/68/53/547786853.db2.gz AZYTYAMAHQDSBH-ZBFHGGJFSA-N 2 2 313.449 3.054 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000671306513 547786859 /nfs/dbraw/zinc/78/68/59/547786859.db2.gz AZYTYAMAHQDSBH-ZBFHGGJFSA-N 2 2 313.449 3.054 20 0 DGADLP FC1(F)Oc2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2O1 ZINC000671680603 547808626 /nfs/dbraw/zinc/80/86/26/547808626.db2.gz RRMKJULSAAAKOG-CYBMUJFWSA-N 2 2 321.327 3.042 20 0 DGADLP FC1(F)Oc2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2O1 ZINC000671680603 547808629 /nfs/dbraw/zinc/80/86/29/547808629.db2.gz RRMKJULSAAAKOG-CYBMUJFWSA-N 2 2 321.327 3.042 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H]2CCC[C@@H]21 ZINC000671752957 547827671 /nfs/dbraw/zinc/82/76/71/547827671.db2.gz HKEHPJRHYOOABB-IIMNLJJBSA-N 2 2 316.342 3.205 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)[C@H]2CCC[C@@H]21 ZINC000671752957 547827675 /nfs/dbraw/zinc/82/76/75/547827675.db2.gz HKEHPJRHYOOABB-IIMNLJJBSA-N 2 2 316.342 3.205 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912532 548137046 /nfs/dbraw/zinc/13/70/46/548137046.db2.gz GLXWPYWLEKSLAE-RNCFNFMXSA-N 2 2 306.759 3.399 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912532 548137050 /nfs/dbraw/zinc/13/70/50/548137050.db2.gz GLXWPYWLEKSLAE-RNCFNFMXSA-N 2 2 306.759 3.399 20 0 DGADLP Cc1ccccc1C[N@H+]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000675548481 548231709 /nfs/dbraw/zinc/23/17/09/548231709.db2.gz PUVMKSCCJRHLGE-UHFFFAOYSA-N 2 2 324.472 3.423 20 0 DGADLP Cc1ccccc1C[N@@H+]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000675548481 548231713 /nfs/dbraw/zinc/23/17/13/548231713.db2.gz PUVMKSCCJRHLGE-UHFFFAOYSA-N 2 2 324.472 3.423 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000675888898 548285848 /nfs/dbraw/zinc/28/58/48/548285848.db2.gz SNQKVPHHTAUDGI-MDZRGWNJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000675888898 548285852 /nfs/dbraw/zinc/28/58/52/548285852.db2.gz SNQKVPHHTAUDGI-MDZRGWNJSA-N 2 2 301.478 3.460 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076846 548317851 /nfs/dbraw/zinc/31/78/51/548317851.db2.gz GHBMPGWWBAAHGX-IEBWSBKVSA-N 2 2 314.473 3.463 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000676076846 548317857 /nfs/dbraw/zinc/31/78/57/548317857.db2.gz GHBMPGWWBAAHGX-IEBWSBKVSA-N 2 2 314.473 3.463 20 0 DGADLP Cc1cccn2cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)[nH+]c12 ZINC000676712487 548399326 /nfs/dbraw/zinc/39/93/26/548399326.db2.gz INOOQIIPEMQFJI-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)[nH+]c12 ZINC000676712487 548399327 /nfs/dbraw/zinc/39/93/27/548399327.db2.gz INOOQIIPEMQFJI-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712487 548399330 /nfs/dbraw/zinc/39/93/30/548399330.db2.gz INOOQIIPEMQFJI-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc12 ZINC000676712487 548399332 /nfs/dbraw/zinc/39/93/32/548399332.db2.gz INOOQIIPEMQFJI-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc12 ZINC000676712487 548399334 /nfs/dbraw/zinc/39/93/34/548399334.db2.gz INOOQIIPEMQFJI-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc12 ZINC000676712487 548399336 /nfs/dbraw/zinc/39/93/36/548399336.db2.gz INOOQIIPEMQFJI-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078514 548608818 /nfs/dbraw/zinc/60/88/18/548608818.db2.gz CMQKMWYGTLLMEZ-GARJFASQSA-N 2 2 318.305 3.143 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078514 548608820 /nfs/dbraw/zinc/60/88/20/548608820.db2.gz CMQKMWYGTLLMEZ-GARJFASQSA-N 2 2 318.305 3.143 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078514 548608821 /nfs/dbraw/zinc/60/88/21/548608821.db2.gz CMQKMWYGTLLMEZ-GARJFASQSA-N 2 2 318.305 3.143 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccn1 ZINC000678029033 548596114 /nfs/dbraw/zinc/59/61/14/548596114.db2.gz DVDOVTCGAHZSKI-HKUYNNGSSA-N 2 2 317.477 3.156 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678078514 548608816 /nfs/dbraw/zinc/60/88/16/548608816.db2.gz CMQKMWYGTLLMEZ-GARJFASQSA-N 2 2 318.305 3.143 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361900 548688668 /nfs/dbraw/zinc/68/86/68/548688668.db2.gz NXIMXKCKLPRJSG-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361900 548688673 /nfs/dbraw/zinc/68/86/73/548688673.db2.gz NXIMXKCKLPRJSG-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H](O)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592616 548735113 /nfs/dbraw/zinc/73/51/13/548735113.db2.gz UNDTWODCSWNQLV-QZTJIDSGSA-N 2 2 304.478 3.180 20 0 DGADLP CC[C@@H](O)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592616 548735118 /nfs/dbraw/zinc/73/51/18/548735118.db2.gz UNDTWODCSWNQLV-QZTJIDSGSA-N 2 2 304.478 3.180 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000678735379 548755002 /nfs/dbraw/zinc/75/50/02/548755002.db2.gz USMUTDVKBXJNPU-YLJYHZDGSA-N 2 2 312.457 3.139 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000678735379 548755004 /nfs/dbraw/zinc/75/50/04/548755004.db2.gz USMUTDVKBXJNPU-YLJYHZDGSA-N 2 2 312.457 3.139 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927847 548794224 /nfs/dbraw/zinc/79/42/24/548794224.db2.gz LPUULQHOKYIPIC-RCCFBDPRSA-N 2 2 306.494 3.188 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C12CCCCC2 ZINC000678927847 548794227 /nfs/dbraw/zinc/79/42/27/548794227.db2.gz LPUULQHOKYIPIC-RCCFBDPRSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011106 548812572 /nfs/dbraw/zinc/81/25/72/548812572.db2.gz BRGZKEXVUCXSFR-KDOFPFPSSA-N 2 2 302.462 3.436 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011106 548812575 /nfs/dbraw/zinc/81/25/75/548812575.db2.gz BRGZKEXVUCXSFR-KDOFPFPSSA-N 2 2 302.462 3.436 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011105 548812904 /nfs/dbraw/zinc/81/29/04/548812904.db2.gz BRGZKEXVUCXSFR-KBXCAEBGSA-N 2 2 302.462 3.436 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011105 548812907 /nfs/dbraw/zinc/81/29/07/548812907.db2.gz BRGZKEXVUCXSFR-KBXCAEBGSA-N 2 2 302.462 3.436 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044591 548822336 /nfs/dbraw/zinc/82/23/36/548822336.db2.gz PIVXOQVYYAHAHG-HKUYNNGSSA-N 2 2 304.478 3.182 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044591 548822338 /nfs/dbraw/zinc/82/23/38/548822338.db2.gz PIVXOQVYYAHAHG-HKUYNNGSSA-N 2 2 304.478 3.182 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)c1c[nH]nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000679330789 548879003 /nfs/dbraw/zinc/87/90/03/548879003.db2.gz ROAGGALBUSEAEJ-KDOFPFPSSA-N 2 2 312.461 3.206 20 0 DGADLP CC[C@@H](C[NH2+][C@H](C)c1c[nH]nc1C)[N@H+]1CCc2ccccc2C1 ZINC000679330789 548879005 /nfs/dbraw/zinc/87/90/05/548879005.db2.gz ROAGGALBUSEAEJ-KDOFPFPSSA-N 2 2 312.461 3.206 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)CC3 ZINC000679340232 548881384 /nfs/dbraw/zinc/88/13/84/548881384.db2.gz CEGYBZWBXNZHIR-DLBZAZTESA-N 2 2 323.484 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)CC3 ZINC000679340232 548881387 /nfs/dbraw/zinc/88/13/87/548881387.db2.gz CEGYBZWBXNZHIR-DLBZAZTESA-N 2 2 323.484 3.408 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1CCCOC1 ZINC000679574386 548919351 /nfs/dbraw/zinc/91/93/51/548919351.db2.gz IAZVHEVUMPWHCB-JQHSSLGASA-N 2 2 313.445 3.109 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(Cl)o1 ZINC000680112828 548998173 /nfs/dbraw/zinc/99/81/73/548998173.db2.gz FOAZPFWVDYXRIK-UHFFFAOYSA-N 2 2 302.765 3.112 20 0 DGADLP COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c[nH+]c3c(C)cccn13)C2 ZINC000680140318 549003291 /nfs/dbraw/zinc/00/32/91/549003291.db2.gz WLWLHNJDQAPACN-QGZVFWFLSA-N 2 2 321.424 3.298 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000680141856 549003322 /nfs/dbraw/zinc/00/33/22/549003322.db2.gz IOOKQNOTCDHPNS-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000680141856 549003326 /nfs/dbraw/zinc/00/33/26/549003326.db2.gz IOOKQNOTCDHPNS-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000680141858 549003520 /nfs/dbraw/zinc/00/35/20/549003520.db2.gz IOOKQNOTCDHPNS-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000680141858 549003522 /nfs/dbraw/zinc/00/35/22/549003522.db2.gz IOOKQNOTCDHPNS-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3C[C@@H](OC(C)C)C3(C)C)[nH+]c12 ZINC000680938210 549132467 /nfs/dbraw/zinc/13/24/67/549132467.db2.gz FFORZTDNHPAQFS-DLBZAZTESA-N 2 2 315.461 3.367 20 0 DGADLP CCn1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000681164915 549170232 /nfs/dbraw/zinc/17/02/32/549170232.db2.gz UHHOJFPBPOCHJP-OAHLLOKOSA-N 2 2 309.417 3.090 20 0 DGADLP CCn1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000681164915 549170236 /nfs/dbraw/zinc/17/02/36/549170236.db2.gz UHHOJFPBPOCHJP-OAHLLOKOSA-N 2 2 309.417 3.090 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000681699006 549243108 /nfs/dbraw/zinc/24/31/08/549243108.db2.gz QKEZJHYWYQPWOA-CYBMUJFWSA-N 2 2 312.804 3.189 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000682133924 549294372 /nfs/dbraw/zinc/29/43/72/549294372.db2.gz DWXGQZIWYUITJN-AZUAARDMSA-N 2 2 316.489 3.197 20 0 DGADLP CC(C)CCC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000682159025 549298679 /nfs/dbraw/zinc/29/86/79/549298679.db2.gz KTZCJENAKRESTD-LJQANCHMSA-N 2 2 304.478 3.039 20 0 DGADLP CC(C)CCC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000682159025 549298683 /nfs/dbraw/zinc/29/86/83/549298683.db2.gz KTZCJENAKRESTD-LJQANCHMSA-N 2 2 304.478 3.039 20 0 DGADLP Oc1cccc2c(NC3CCN(c4cccc[nH+]4)CC3)cc[nH+]c12 ZINC000682239625 549306527 /nfs/dbraw/zinc/30/65/27/549306527.db2.gz UZWVKYTZCJNVBO-UHFFFAOYSA-N 2 2 320.396 3.416 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000683006764 549413779 /nfs/dbraw/zinc/41/37/79/549413779.db2.gz SCNUMVMGISYPMV-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000683006764 549413780 /nfs/dbraw/zinc/41/37/80/549413780.db2.gz SCNUMVMGISYPMV-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1[nH+]ccc(NCc2c[nH+]c3ccc(Cl)cn23)c1Cl ZINC000683071504 549425710 /nfs/dbraw/zinc/42/57/10/549425710.db2.gz ZCAKTGSFTPFAIM-UHFFFAOYSA-N 2 2 307.184 3.379 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CC2 ZINC000683814215 549540449 /nfs/dbraw/zinc/54/04/49/549540449.db2.gz DSCORVMZGGQBAW-LSDHHAIUSA-N 2 2 323.278 3.429 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CC2 ZINC000683814215 549540455 /nfs/dbraw/zinc/54/04/55/549540455.db2.gz DSCORVMZGGQBAW-LSDHHAIUSA-N 2 2 323.278 3.429 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc4cnccc4c3)CC2)c1 ZINC000683826195 549543148 /nfs/dbraw/zinc/54/31/48/549543148.db2.gz FTGQKRGIEOCMNN-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccn1 ZINC000683890107 549550933 /nfs/dbraw/zinc/55/09/33/549550933.db2.gz JIPXHWCTIDNGFB-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP CC(=O)Nc1cccc2c1CC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000684356975 549616870 /nfs/dbraw/zinc/61/68/70/549616870.db2.gz LDBYTJOZFVNNFM-UHFFFAOYSA-N 2 2 323.440 3.339 20 0 DGADLP CC(=O)Nc1cccc2c1CC[N@@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000684356975 549616873 /nfs/dbraw/zinc/61/68/73/549616873.db2.gz LDBYTJOZFVNNFM-UHFFFAOYSA-N 2 2 323.440 3.339 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684369058 549620118 /nfs/dbraw/zinc/62/01/18/549620118.db2.gz WYTXYMWJIQIBQH-VAMGGRTRSA-N 2 2 316.489 3.371 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000684368427 549620104 /nfs/dbraw/zinc/62/01/04/549620104.db2.gz IGDMWCAMNFGOQA-QRVBRYPASA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)C1)[N@H+]1CCc2ccccc2C1 ZINC000684369058 549620120 /nfs/dbraw/zinc/62/01/20/549620120.db2.gz WYTXYMWJIQIBQH-VAMGGRTRSA-N 2 2 316.489 3.371 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)C1)Cc1ccccc1 ZINC000684369263 549620733 /nfs/dbraw/zinc/62/07/33/549620733.db2.gz MISHJBPTEVLWMF-HSALFYBXSA-N 2 2 318.505 3.487 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613795 549669281 /nfs/dbraw/zinc/66/92/81/549669281.db2.gz MIYUXIAVRYNRBP-IAQYHMDHSA-N 2 2 301.261 3.466 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000684613795 549669284 /nfs/dbraw/zinc/66/92/84/549669284.db2.gz MIYUXIAVRYNRBP-IAQYHMDHSA-N 2 2 301.261 3.466 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4cccnc43)CC2)nc1 ZINC000684953073 549723868 /nfs/dbraw/zinc/72/38/68/549723868.db2.gz GLAXGLLECCZJHV-LJQANCHMSA-N 2 2 322.456 3.108 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000685579580 549777882 /nfs/dbraw/zinc/77/78/82/549777882.db2.gz LWWLIPWDMAKQAN-UHFFFAOYSA-N 2 2 306.450 3.438 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000741024783 574525251 /nfs/dbraw/zinc/52/52/51/574525251.db2.gz ZPATWBJICCNLKA-VNHYZAJKSA-N 2 2 320.433 3.012 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000741024783 574525254 /nfs/dbraw/zinc/52/52/54/574525254.db2.gz ZPATWBJICCNLKA-VNHYZAJKSA-N 2 2 320.433 3.012 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Br)cs1)C2 ZINC000383479774 574546657 /nfs/dbraw/zinc/54/66/57/574546657.db2.gz ALXIHUYFNCJTJN-GWCFXTLKSA-N 2 2 315.280 3.071 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Br)cs1)C2 ZINC000383479774 574546658 /nfs/dbraw/zinc/54/66/58/574546658.db2.gz ALXIHUYFNCJTJN-GWCFXTLKSA-N 2 2 315.280 3.071 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000731868457 574561312 /nfs/dbraw/zinc/56/13/12/574561312.db2.gz ZXQZGGARMXTPIJ-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000731868457 574561314 /nfs/dbraw/zinc/56/13/14/574561314.db2.gz ZXQZGGARMXTPIJ-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP COCCC[N@H+](C)CC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000742374822 574993431 /nfs/dbraw/zinc/99/34/31/574993431.db2.gz HIFQFBZEDVDLLK-UHFFFAOYSA-N 2 2 312.457 3.412 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+]Cc1ccccc1-c1ccccc1 ZINC000742374822 574993433 /nfs/dbraw/zinc/99/34/33/574993433.db2.gz HIFQFBZEDVDLLK-UHFFFAOYSA-N 2 2 312.457 3.412 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1OCC ZINC000729681431 575259828 /nfs/dbraw/zinc/25/98/28/575259828.db2.gz BNIRFQWNBRFIOV-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1OCC ZINC000729681431 575259833 /nfs/dbraw/zinc/25/98/33/575259833.db2.gz BNIRFQWNBRFIOV-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746463179 575454197 /nfs/dbraw/zinc/45/41/97/575454197.db2.gz JUBAQYHVMSWPPO-CYBMUJFWSA-N 2 2 321.465 3.386 20 0 DGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)s1 ZINC000750824909 575754090 /nfs/dbraw/zinc/75/40/90/575754090.db2.gz DDEYLBONOQLDIQ-LRDDRELGSA-N 2 2 323.506 3.054 20 0 DGADLP Cn1c(Cl)nc(Cl)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000752261822 575829125 /nfs/dbraw/zinc/82/91/25/575829125.db2.gz WLZWOTHKGLUYLC-UHFFFAOYSA-N 2 2 319.280 3.126 20 0 DGADLP C/C(=C/c1ccccc1)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000726606853 576032362 /nfs/dbraw/zinc/03/23/62/576032362.db2.gz DGFAQODZGWAQGN-KZLRIVJYSA-N 2 2 302.462 3.179 20 0 DGADLP Cc1cc2[nH+]cn(CN3CCC[C@@H]3C[NH+]3CCCC3)c2cc1C ZINC000738104421 576194386 /nfs/dbraw/zinc/19/43/86/576194386.db2.gz LUJGVUSBDOBALX-QGZVFWFLSA-N 2 2 312.461 3.171 20 0 DGADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H](O)c1ccc(Cl)cc1 ZINC000852728403 620642933 /nfs/dbraw/zinc/64/29/33/620642933.db2.gz BKMFUKMAVXEYFH-IAGOWNOFSA-N 2 2 321.852 3.274 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cn2c(n1)CCCC2 ZINC000926143616 617785928 /nfs/dbraw/zinc/78/59/28/617785928.db2.gz NQQMIXKRRYXVJP-JKSUJKDBSA-N 2 2 304.482 3.135 20 0 DGADLP Cc1nc(Nc2ccccc2)cc(N2CCC([NH+](C)C)CC2)[nH+]1 ZINC000891778726 617895727 /nfs/dbraw/zinc/89/57/27/617895727.db2.gz AGGNBUPKOMFCQQ-UHFFFAOYSA-N 2 2 311.433 3.059 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106465 617964299 /nfs/dbraw/zinc/96/42/99/617964299.db2.gz WNDZBKYUADEYIN-NVXWUHKLSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106465 617964302 /nfs/dbraw/zinc/96/43/02/617964302.db2.gz WNDZBKYUADEYIN-NVXWUHKLSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106465 617964304 /nfs/dbraw/zinc/96/43/04/617964304.db2.gz WNDZBKYUADEYIN-NVXWUHKLSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106465 617964305 /nfs/dbraw/zinc/96/43/05/617964305.db2.gz WNDZBKYUADEYIN-NVXWUHKLSA-N 2 2 301.478 3.183 20 0 DGADLP COc1ccc2[nH+]ccc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000892160034 617977694 /nfs/dbraw/zinc/97/76/94/617977694.db2.gz UBXRMBYXJCXGKQ-UHFFFAOYSA-N 2 2 308.385 3.281 20 0 DGADLP C[NH+](C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924539227 618079642 /nfs/dbraw/zinc/07/96/42/618079642.db2.gz JFTLRGSNWVNQCG-IHWFROFDSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924539227 618079647 /nfs/dbraw/zinc/07/96/47/618079647.db2.gz JFTLRGSNWVNQCG-IHWFROFDSA-N 3 2 315.505 3.113 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000926719257 618095109 /nfs/dbraw/zinc/09/51/09/618095109.db2.gz RNUXQSJCDQAGGC-XWTMOSNGSA-N 2 2 306.494 3.044 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000926719260 618095389 /nfs/dbraw/zinc/09/53/89/618095389.db2.gz RNUXQSJCDQAGGC-ZJPYXAASSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494517 618357556 /nfs/dbraw/zinc/35/75/56/618357556.db2.gz FGIHRTQMDRBSAE-JQWIXIFHSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494517 618357559 /nfs/dbraw/zinc/35/75/59/618357559.db2.gz FGIHRTQMDRBSAE-JQWIXIFHSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494517 618357565 /nfs/dbraw/zinc/35/75/65/618357565.db2.gz FGIHRTQMDRBSAE-JQWIXIFHSA-N 2 2 321.412 3.020 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894494517 618357570 /nfs/dbraw/zinc/35/75/70/618357570.db2.gz FGIHRTQMDRBSAE-JQWIXIFHSA-N 2 2 321.412 3.020 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000892971483 618374364 /nfs/dbraw/zinc/37/43/64/618374364.db2.gz RSSOXTWOHPYDOI-QGZVFWFLSA-N 2 2 316.489 3.195 20 0 DGADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cnc1F ZINC000893080967 618416607 /nfs/dbraw/zinc/41/66/07/618416607.db2.gz VMNYFEREPLVPBN-KRWDZBQOSA-N 2 2 324.403 3.336 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccccc1 ZINC000925632048 618515469 /nfs/dbraw/zinc/51/54/69/618515469.db2.gz ZILIDHUBHRBUPO-FOIQADDNSA-N 2 2 320.440 3.265 20 0 DGADLP C[C@@H](CC1CCOCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110525 618539435 /nfs/dbraw/zinc/53/94/35/618539435.db2.gz OLGCLXNUUSOGMT-SZMVWBNQSA-N 2 2 317.477 3.363 20 0 DGADLP Cc1ncsc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110679 618539498 /nfs/dbraw/zinc/53/94/98/618539498.db2.gz UAQGHCFTWAYNDQ-HDJSIYSDSA-N 2 2 302.447 3.123 20 0 DGADLP COc1ccsc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110824 618539584 /nfs/dbraw/zinc/53/95/84/618539584.db2.gz YKVDPNLTGVUDJO-HDJSIYSDSA-N 2 2 317.458 3.428 20 0 DGADLP Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000895245689 618582014 /nfs/dbraw/zinc/58/20/14/618582014.db2.gz SOXRMVXETPFYEN-HNNXBMFYSA-N 2 2 323.444 3.163 20 0 DGADLP CC(C)n1ncc2cc(C[NH2+]CC[C@H](C)[NH+](C)C)c(Cl)nc21 ZINC000895299983 618590498 /nfs/dbraw/zinc/59/04/98/618590498.db2.gz QFRJJARYEKNAPY-LBPRGKRZSA-N 2 2 323.872 3.095 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895301700 618591583 /nfs/dbraw/zinc/59/15/83/618591583.db2.gz KGJZOJBCRZRQBX-YTQUADARSA-N 2 2 313.445 3.109 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000895301700 618591586 /nfs/dbraw/zinc/59/15/86/618591586.db2.gz KGJZOJBCRZRQBX-YTQUADARSA-N 2 2 313.445 3.109 20 0 DGADLP Cc1ccc([C@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925750545 618594338 /nfs/dbraw/zinc/59/43/38/618594338.db2.gz IZPMSJSOBQARRJ-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1ccc([C@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925750545 618594340 /nfs/dbraw/zinc/59/43/40/618594340.db2.gz IZPMSJSOBQARRJ-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP CCn1cc(C[NH+]2CCC([NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000893955266 618682715 /nfs/dbraw/zinc/68/27/15/618682715.db2.gz WGAFWSMGTNQFFF-UHFFFAOYSA-N 2 2 312.461 3.096 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000893977270 618686309 /nfs/dbraw/zinc/68/63/09/618686309.db2.gz DBFHVDVFBLMCLB-DLBZAZTESA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000893977270 618686311 /nfs/dbraw/zinc/68/63/11/618686311.db2.gz DBFHVDVFBLMCLB-DLBZAZTESA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893977270 618686314 /nfs/dbraw/zinc/68/63/14/618686314.db2.gz DBFHVDVFBLMCLB-DLBZAZTESA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893977270 618686316 /nfs/dbraw/zinc/68/63/16/618686316.db2.gz DBFHVDVFBLMCLB-DLBZAZTESA-N 2 2 316.493 3.059 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062892 618702607 /nfs/dbraw/zinc/70/26/07/618702607.db2.gz GFNSKZBMZUEROL-INIZCTEOSA-N 2 2 320.477 3.176 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062892 618702608 /nfs/dbraw/zinc/70/26/08/618702608.db2.gz GFNSKZBMZUEROL-INIZCTEOSA-N 2 2 320.477 3.176 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062892 618702611 /nfs/dbraw/zinc/70/26/11/618702611.db2.gz GFNSKZBMZUEROL-INIZCTEOSA-N 2 2 320.477 3.176 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000894062892 618702612 /nfs/dbraw/zinc/70/26/12/618702612.db2.gz GFNSKZBMZUEROL-INIZCTEOSA-N 2 2 320.477 3.176 20 0 DGADLP COC1CC[NH+](C2(C[NH2+][C@H](C)C3(Cl)CC3)CCCC2)CC1 ZINC000924996905 618760109 /nfs/dbraw/zinc/76/01/09/618760109.db2.gz CMYGHTTUZKJRDE-CQSZACIVSA-N 2 2 314.901 3.160 20 0 DGADLP c1cn(C[C@@H]([NH2+]CC2CCSCC2)c2ccccc2)c[nH+]1 ZINC000895707861 618819594 /nfs/dbraw/zinc/81/95/94/618819594.db2.gz WPEJFFZJTKSPPM-QGZVFWFLSA-N 2 2 301.459 3.357 20 0 DGADLP Cc1cc(NC2CCC(C)([NH+]3CCC3)CC2)nc(C2CC2)[nH+]1 ZINC000896257268 618892611 /nfs/dbraw/zinc/89/26/11/618892611.db2.gz NNKWOSNIXRWARA-UHFFFAOYSA-N 2 2 300.450 3.481 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnnc1 ZINC000925230166 619086753 /nfs/dbraw/zinc/08/67/53/619086753.db2.gz UAYOOBNNYBZITF-GJYPPUQNSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccnnc1 ZINC000925230166 619086755 /nfs/dbraw/zinc/08/67/55/619086755.db2.gz UAYOOBNNYBZITF-GJYPPUQNSA-N 2 2 310.445 3.180 20 0 DGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000841006030 619148649 /nfs/dbraw/zinc/14/86/49/619148649.db2.gz GJHORUXXAYTPEW-ZWKOTPCHSA-N 2 2 324.896 3.459 20 0 DGADLP CCOCOc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897981851 619202943 /nfs/dbraw/zinc/20/29/43/619202943.db2.gz SFXJCNNXFGOTPN-UHFFFAOYSA-N 2 2 318.461 3.166 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1)C[NH+](C)C ZINC000926966298 619254150 /nfs/dbraw/zinc/25/41/50/619254150.db2.gz WGJOZYCBJCRNTN-YJBOKZPZSA-N 2 2 308.466 3.091 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000927105715 619266166 /nfs/dbraw/zinc/26/61/66/619266166.db2.gz GPHABSRIDOWINW-YLJYHZDGSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000927105715 619266169 /nfs/dbraw/zinc/26/61/69/619266169.db2.gz GPHABSRIDOWINW-YLJYHZDGSA-N 2 2 316.489 3.159 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCOC23CCCCC3)c[nH+]1 ZINC000924770793 619397297 /nfs/dbraw/zinc/39/72/97/619397297.db2.gz TUIHFCCGLMDUCQ-SFHVURJKSA-N 2 2 311.429 3.454 20 0 DGADLP CCn1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000902040313 619579586 /nfs/dbraw/zinc/57/95/86/619579586.db2.gz AXNGJURJNCZAHQ-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000902384863 619629460 /nfs/dbraw/zinc/62/94/60/619629460.db2.gz WBMDNSREWYXTKX-SECBINFHSA-N 2 2 304.331 3.111 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902394002 619630823 /nfs/dbraw/zinc/63/08/23/619630823.db2.gz UHXMXFWWOGMERP-MRXNPFEDSA-N 3 2 313.436 3.242 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Br)cc1 ZINC000902472693 619638036 /nfs/dbraw/zinc/63/80/36/619638036.db2.gz FOAOQPLUUAUYOY-APIJFGDWSA-N 2 2 309.251 3.383 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000902414932 619638109 /nfs/dbraw/zinc/63/81/09/619638109.db2.gz HGCKUVBTWPFZSX-MRVPVSSYSA-N 2 2 322.302 3.031 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)[C@@H]2CCC[NH2+]2)cc1 ZINC000902458565 619641039 /nfs/dbraw/zinc/64/10/39/619641039.db2.gz WIBIUQGXWMUNFO-YYTXDEJISA-N 2 2 300.446 3.267 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902466098 619641586 /nfs/dbraw/zinc/64/15/86/619641586.db2.gz IUKMBNLLYCCJTN-GBJTYRQASA-N 2 2 321.262 3.227 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902470475 619642268 /nfs/dbraw/zinc/64/22/68/619642268.db2.gz YFZHAHDQTPGJKO-FYZZASKESA-N 2 2 322.452 3.462 20 0 DGADLP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000902736589 619667795 /nfs/dbraw/zinc/66/77/95/619667795.db2.gz IKSAAVAJUAMMDT-RTBURBONSA-N 2 2 313.445 3.369 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000902745605 619669381 /nfs/dbraw/zinc/66/93/81/619669381.db2.gz RGQHTVDHWCGPKV-LLVKDONJSA-N 2 2 324.412 3.386 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)s1 ZINC000902745605 619669382 /nfs/dbraw/zinc/66/93/82/619669382.db2.gz RGQHTVDHWCGPKV-LLVKDONJSA-N 2 2 324.412 3.386 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902828080 619680293 /nfs/dbraw/zinc/68/02/93/619680293.db2.gz VSADIOUQSKKXKI-YQQAZPJKSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1COc2ccccc2C1 ZINC000902835783 619682054 /nfs/dbraw/zinc/68/20/54/619682054.db2.gz OXPRUNLMYDSVHW-WBVHZDCISA-N 2 2 311.429 3.113 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902873383 619685230 /nfs/dbraw/zinc/68/52/30/619685230.db2.gz ZNXZQCOJLOFLIP-CABCVRRESA-N 2 2 301.434 3.320 20 0 DGADLP Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000902881363 619687816 /nfs/dbraw/zinc/68/78/16/619687816.db2.gz OZECTOLDZNJYTA-UKRRQHHQSA-N 2 2 309.417 3.186 20 0 DGADLP CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902897188 619689848 /nfs/dbraw/zinc/68/98/48/619689848.db2.gz OMINPKQNZFIVOS-MAUKXSAKSA-N 2 2 313.445 3.320 20 0 DGADLP CO[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000902910341 619692466 /nfs/dbraw/zinc/69/24/66/619692466.db2.gz HXGZAAWVMZFMKC-RISCZKNCSA-N 2 2 313.323 3.100 20 0 DGADLP CCOC(CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)OCC ZINC000902969622 619696041 /nfs/dbraw/zinc/69/60/41/619696041.db2.gz FMTTZIWBPKFROF-HNNXBMFYSA-N 2 2 317.433 3.312 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016764 619701920 /nfs/dbraw/zinc/70/19/20/619701920.db2.gz HKOWRAPVIOFOEB-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016764 619701921 /nfs/dbraw/zinc/70/19/21/619701921.db2.gz HKOWRAPVIOFOEB-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccsc1 ZINC000903061537 619708092 /nfs/dbraw/zinc/70/80/92/619708092.db2.gz GIYXQRAENVSYLM-NXCDMZCRSA-N 2 2 319.518 3.098 20 0 DGADLP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccsc1 ZINC000903061537 619708093 /nfs/dbraw/zinc/70/80/93/619708093.db2.gz GIYXQRAENVSYLM-NXCDMZCRSA-N 2 2 319.518 3.098 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903047186 619710421 /nfs/dbraw/zinc/71/04/21/619710421.db2.gz IRUXAXOVERJBCS-SQNIBIBYSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903047186 619710422 /nfs/dbraw/zinc/71/04/22/619710422.db2.gz IRUXAXOVERJBCS-SQNIBIBYSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085724 619713450 /nfs/dbraw/zinc/71/34/50/619713450.db2.gz YWVDUJXFKNOYTM-KXBFYZLASA-N 2 2 313.445 3.464 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903074508 619715912 /nfs/dbraw/zinc/71/59/12/619715912.db2.gz NJXAYCNWTVPCAD-NXCDMZCRSA-N 3 2 316.493 3.045 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074508 619715913 /nfs/dbraw/zinc/71/59/13/619715913.db2.gz NJXAYCNWTVPCAD-NXCDMZCRSA-N 3 2 316.493 3.045 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903259844 619746735 /nfs/dbraw/zinc/74/67/35/619746735.db2.gz QWBWUWYQSBKBCI-IEZWGBDMSA-N 2 2 313.445 3.464 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C12CCC2 ZINC000903380896 619768851 /nfs/dbraw/zinc/76/88/51/619768851.db2.gz POYGTBARSAYJHN-KZNAEPCWSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385410 619769525 /nfs/dbraw/zinc/76/95/25/619769525.db2.gz XHLTVDFRURQIAR-DNVCBOLYSA-N 2 2 315.436 3.434 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903187 619832013 /nfs/dbraw/zinc/83/20/13/619832013.db2.gz SJKQSTDDCCKRFX-AAEUAGOBSA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000903903187 619832017 /nfs/dbraw/zinc/83/20/17/619832017.db2.gz SJKQSTDDCCKRFX-AAEUAGOBSA-N 2 2 322.321 3.477 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000903958392 619839815 /nfs/dbraw/zinc/83/98/15/619839815.db2.gz ZDWCTAREJKNCOP-CQSZACIVSA-N 2 2 306.356 3.281 20 0 DGADLP CCC1([NH3+])CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000903947072 619843929 /nfs/dbraw/zinc/84/39/29/619843929.db2.gz MXDXWQNWUVWJRM-UHFFFAOYSA-N 2 2 305.441 3.129 20 0 DGADLP Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)o1 ZINC000903955404 619846442 /nfs/dbraw/zinc/84/64/42/619846442.db2.gz QYODKQICVGQFLH-GFCCVEGCSA-N 2 2 324.346 3.420 20 0 DGADLP c1c2ccccc2sc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971440 619847123 /nfs/dbraw/zinc/84/71/23/619847123.db2.gz BKNLRDZDGPRWGN-HNNXBMFYSA-N 2 2 316.470 3.150 20 0 DGADLP c1ccc2c(c1)cccc2C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974052 619847388 /nfs/dbraw/zinc/84/73/88/619847388.db2.gz KJHVMKDLEBZUAH-GOSISDBHSA-N 2 2 310.441 3.088 20 0 DGADLP CC(C)c1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974930 619848024 /nfs/dbraw/zinc/84/80/24/619848024.db2.gz VTAIXYWDJXIDOS-GOSISDBHSA-N 2 2 302.462 3.058 20 0 DGADLP C[NH2+][C@@H](CC(C)C)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000904093446 619878398 /nfs/dbraw/zinc/87/83/98/619878398.db2.gz WYKUSMKUPHMRPL-HNNXBMFYSA-N 2 2 311.389 3.229 20 0 DGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000904327703 619913924 /nfs/dbraw/zinc/91/39/24/619913924.db2.gz HNAWASSPYVCBQE-CQSZACIVSA-N 2 2 305.466 3.147 20 0 DGADLP Cc1cc(C)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)[nH+]1 ZINC000905744480 620025547 /nfs/dbraw/zinc/02/55/47/620025547.db2.gz GYZQSBDSJVGOFQ-UHFFFAOYSA-N 2 2 303.450 3.046 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000753670535 620458529 /nfs/dbraw/zinc/45/85/29/620458529.db2.gz AKUZLCRTNSUZHI-YJBOKZPZSA-N 2 2 322.518 3.400 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000852566659 620630652 /nfs/dbraw/zinc/63/06/52/620630652.db2.gz NVWROTCKXWNYKU-LMMKCTJWSA-N 2 2 301.478 3.114 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000852566659 620630657 /nfs/dbraw/zinc/63/06/57/620630657.db2.gz NVWROTCKXWNYKU-LMMKCTJWSA-N 2 2 301.478 3.114 20 0 DGADLP c1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)n(C2CCC2)n1 ZINC000921499986 620874219 /nfs/dbraw/zinc/87/42/19/620874219.db2.gz BEBZOAFNWSVPQB-UHFFFAOYSA-N 2 2 324.472 3.146 20 0 DGADLP c1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)n(C2CCC2)n1 ZINC000921499986 620874225 /nfs/dbraw/zinc/87/42/25/620874225.db2.gz BEBZOAFNWSVPQB-UHFFFAOYSA-N 2 2 324.472 3.146 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)[nH+]c1C ZINC000921658821 620928831 /nfs/dbraw/zinc/92/88/31/620928831.db2.gz DFAPCTVDJHMSIR-KRWDZBQOSA-N 2 2 324.428 3.259 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)[nH+]c1C ZINC000921658821 620928834 /nfs/dbraw/zinc/92/88/34/620928834.db2.gz DFAPCTVDJHMSIR-KRWDZBQOSA-N 2 2 324.428 3.259 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)[nH+]c1 ZINC000921666801 620929841 /nfs/dbraw/zinc/92/98/41/620929841.db2.gz IJAVJDDVJNCFCD-YESZJQIVSA-N 2 2 303.450 3.069 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H](SC)C2)CC1 ZINC000921713187 620939378 /nfs/dbraw/zinc/93/93/78/620939378.db2.gz MCCIZXZHCJCFII-HOCLYGCPSA-N 2 2 314.539 3.140 20 0 DGADLP ClC1(Cl)C[C@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000857065625 621053734 /nfs/dbraw/zinc/05/37/34/621053734.db2.gz RSRKCYWWBLKOHS-GFCCVEGCSA-N 2 2 314.260 3.224 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cccc2ncccc12)c1cccnc1 ZINC000922629080 621069738 /nfs/dbraw/zinc/06/97/38/621069738.db2.gz IVNJMIHLKFDZNN-IBGZPJMESA-N 2 2 320.440 3.412 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925491802 621089864 /nfs/dbraw/zinc/08/98/64/621089864.db2.gz KFHDPMOEYCIKSA-YOEHRIQHSA-N 2 2 320.502 3.360 20 0 DGADLP CC[C@@H](C)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922745054 621093807 /nfs/dbraw/zinc/09/38/07/621093807.db2.gz JVLFEVNOJXSYRR-QGZVFWFLSA-N 2 2 304.478 3.303 20 0 DGADLP CC[C@@H](C)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922745054 621093811 /nfs/dbraw/zinc/09/38/11/621093811.db2.gz JVLFEVNOJXSYRR-QGZVFWFLSA-N 2 2 304.478 3.303 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCCC4(CCC4)O3)cc2)c[nH+]1 ZINC000922805815 621103376 /nfs/dbraw/zinc/10/33/76/621103376.db2.gz QJFQMRQFSGAJCN-SFHVURJKSA-N 2 2 311.429 3.454 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000858157329 621159786 /nfs/dbraw/zinc/15/97/86/621159786.db2.gz DLILSLFGUUWBRC-HZPDHXFCSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000858157329 621159789 /nfs/dbraw/zinc/15/97/89/621159789.db2.gz DLILSLFGUUWBRC-HZPDHXFCSA-N 2 2 304.482 3.304 20 0 DGADLP CC1(C)Cc2nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)sc2C(C)(C)C1 ZINC000923280212 621171640 /nfs/dbraw/zinc/17/16/40/621171640.db2.gz FPPUTQKORGILCD-LBPRGKRZSA-N 2 2 307.507 3.174 20 0 DGADLP CC1(C)Cc2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)sc2C(C)(C)C1 ZINC000923280212 621171642 /nfs/dbraw/zinc/17/16/42/621171642.db2.gz FPPUTQKORGILCD-LBPRGKRZSA-N 2 2 307.507 3.174 20 0 DGADLP Cc1noc(C)c1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000753535965 621198600 /nfs/dbraw/zinc/19/86/00/621198600.db2.gz MPLMDBBHRZQPSY-UHFFFAOYSA-N 2 2 302.403 3.171 20 0 DGADLP Cc1noc(C)c1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000753535965 621198602 /nfs/dbraw/zinc/19/86/02/621198602.db2.gz MPLMDBBHRZQPSY-UHFFFAOYSA-N 2 2 302.403 3.171 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000752857341 621413207 /nfs/dbraw/zinc/41/32/07/621413207.db2.gz UCZXNGXJOXIVEK-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CCC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000753732508 621462655 /nfs/dbraw/zinc/46/26/55/621462655.db2.gz MLALNTKFUXUPJQ-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000753732508 621462658 /nfs/dbraw/zinc/46/26/58/621462658.db2.gz MLALNTKFUXUPJQ-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000753732508 621462660 /nfs/dbraw/zinc/46/26/60/621462660.db2.gz MLALNTKFUXUPJQ-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP CCC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000753732508 621462663 /nfs/dbraw/zinc/46/26/63/621462663.db2.gz MLALNTKFUXUPJQ-HXUWFJFHSA-N 2 2 314.473 3.344 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000754670842 621523565 /nfs/dbraw/zinc/52/35/65/621523565.db2.gz OVTMSLIOUZGXFK-RDJZCZTQSA-N 2 2 318.486 3.200 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000754670842 621523566 /nfs/dbraw/zinc/52/35/66/621523566.db2.gz OVTMSLIOUZGXFK-RDJZCZTQSA-N 2 2 318.486 3.200 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000839548488 621693968 /nfs/dbraw/zinc/69/39/68/621693968.db2.gz OLDPSUPYZBRUBW-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000863652687 621694377 /nfs/dbraw/zinc/69/43/77/621694377.db2.gz WAPJDBCQZQYHOM-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000863652687 621694378 /nfs/dbraw/zinc/69/43/78/621694378.db2.gz WAPJDBCQZQYHOM-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865425739 621918305 /nfs/dbraw/zinc/91/83/05/621918305.db2.gz RZIFUDWDYJEMLO-CYBMUJFWSA-N 2 2 310.804 3.275 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000865448036 621923524 /nfs/dbraw/zinc/92/35/24/621923524.db2.gz YFKDVKCNOQYMHX-SJORKVTESA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000865448036 621923528 /nfs/dbraw/zinc/92/35/28/621923528.db2.gz YFKDVKCNOQYMHX-SJORKVTESA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)[nH+]cn2)cc1 ZINC000865448036 621923530 /nfs/dbraw/zinc/92/35/30/621923530.db2.gz YFKDVKCNOQYMHX-SJORKVTESA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)[nH+]cn2)cc1 ZINC000865448036 621923534 /nfs/dbraw/zinc/92/35/34/621923534.db2.gz YFKDVKCNOQYMHX-SJORKVTESA-N 2 2 323.444 3.127 20 0 DGADLP Fc1cccc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cnc12 ZINC000865548891 621949123 /nfs/dbraw/zinc/94/91/23/621949123.db2.gz KAAFFQPCITVWGS-UHFFFAOYSA-N 2 2 313.420 3.480 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)c2)c[nH+]1 ZINC000865762038 621990544 /nfs/dbraw/zinc/99/05/44/621990544.db2.gz KIQZPRSYXVLVTR-WMLDXEAASA-N 2 2 317.458 3.229 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866230316 622070973 /nfs/dbraw/zinc/07/09/73/622070973.db2.gz ZJAQKDKZGDBFHH-JKSUJKDBSA-N 2 2 308.429 3.431 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3ncccc32)cn1 ZINC000866239873 622073999 /nfs/dbraw/zinc/07/39/99/622073999.db2.gz VEUMCNKWNGUELL-SFHVURJKSA-N 2 2 319.412 3.138 20 0 DGADLP F[C@@H]1COc2ccccc2[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000866257060 622077246 /nfs/dbraw/zinc/07/72/46/622077246.db2.gz RHVOQUJDMJFORY-QAPCUYQASA-N 2 2 315.392 3.335 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000866402211 622112254 /nfs/dbraw/zinc/11/22/54/622112254.db2.gz IYLICCPGSHKPJH-SOLBZPMBSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000866402211 622112258 /nfs/dbraw/zinc/11/22/58/622112258.db2.gz IYLICCPGSHKPJH-SOLBZPMBSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000866479676 622124900 /nfs/dbraw/zinc/12/49/00/622124900.db2.gz XNECFPFBFIPWID-NJAFHUGGSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000866479676 622124902 /nfs/dbraw/zinc/12/49/02/622124902.db2.gz XNECFPFBFIPWID-NJAFHUGGSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CC1 ZINC000866541269 622135457 /nfs/dbraw/zinc/13/54/57/622135457.db2.gz XDYYLCQLWCKJTJ-QFBILLFUSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC1CC1 ZINC000866541269 622135459 /nfs/dbraw/zinc/13/54/59/622135459.db2.gz XDYYLCQLWCKJTJ-QFBILLFUSA-N 2 2 301.478 3.462 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@H](C)C1 ZINC000765453040 622266002 /nfs/dbraw/zinc/26/60/02/622266002.db2.gz JJPAWMAIYACFNR-XLIONFOSSA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@H](C)C1 ZINC000765453040 622266006 /nfs/dbraw/zinc/26/60/06/622266006.db2.gz JJPAWMAIYACFNR-XLIONFOSSA-N 3 2 321.553 3.351 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000765977063 622298083 /nfs/dbraw/zinc/29/80/83/622298083.db2.gz PQZCNGVCWONITL-PBHICJAKSA-N 2 2 306.450 3.136 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1F ZINC000769541088 622539142 /nfs/dbraw/zinc/53/91/42/622539142.db2.gz BVVDUPGWTCOSLG-HUUCEWRRSA-N 2 2 308.441 3.087 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CC[N@H+]2CCC[C@H]2C)cc1F ZINC000769541088 622539144 /nfs/dbraw/zinc/53/91/44/622539144.db2.gz BVVDUPGWTCOSLG-HUUCEWRRSA-N 2 2 308.441 3.087 20 0 DGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000769873403 622570947 /nfs/dbraw/zinc/57/09/47/622570947.db2.gz LOIRBFUGYQWMCW-CYBMUJFWSA-N 2 2 302.422 3.483 20 0 DGADLP CC[NH+](CC)[C@H](C(=O)OCC[NH+]1CCCCC1)c1ccccc1 ZINC000770370420 622625778 /nfs/dbraw/zinc/62/57/78/622625778.db2.gz QBYDEDWAWBEIFY-SFHVURJKSA-N 2 2 318.461 3.099 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)ccc1F ZINC000872023297 622757060 /nfs/dbraw/zinc/75/70/60/622757060.db2.gz FFJFEIBRPFREJU-MLGOLLRUSA-N 2 2 305.397 3.493 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC000872031868 622763265 /nfs/dbraw/zinc/76/32/65/622763265.db2.gz NIBFLYPSROMKBQ-JKSUJKDBSA-N 2 2 305.466 3.457 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(O)c1F ZINC000872032687 622763886 /nfs/dbraw/zinc/76/38/86/622763886.db2.gz XWXXHCIICRHMLS-CYBMUJFWSA-N 2 2 303.381 3.469 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3cccc4ncccc34)CC2)[nH+]c1 ZINC000872124391 622821722 /nfs/dbraw/zinc/82/17/22/622821722.db2.gz MMNTVPMVDZGVER-UHFFFAOYSA-N 2 2 318.424 3.388 20 0 DGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872155172 622835655 /nfs/dbraw/zinc/83/56/55/622835655.db2.gz FOMBXZNQXBXJIY-OAHLLOKOSA-N 2 2 312.841 3.005 20 0 DGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155172 622835664 /nfs/dbraw/zinc/83/56/64/622835664.db2.gz FOMBXZNQXBXJIY-OAHLLOKOSA-N 2 2 312.841 3.005 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000873195131 623070487 /nfs/dbraw/zinc/07/04/87/623070487.db2.gz XZYSCXJUCFZIKC-PMACEKPBSA-N 2 2 321.424 3.474 20 0 DGADLP Fc1ccc(F)c2c1CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873206757 623074837 /nfs/dbraw/zinc/07/48/37/623074837.db2.gz DYXGXNBYFZOJLG-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP Fc1ccc(F)c2c1CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873206757 623074842 /nfs/dbraw/zinc/07/48/42/623074842.db2.gz DYXGXNBYFZOJLG-UHFFFAOYSA-N 2 2 320.408 3.230 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000873223846 623081889 /nfs/dbraw/zinc/08/18/89/623081889.db2.gz TULCKXJQIZLCEF-QGZVFWFLSA-N 2 2 320.868 3.185 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000873223846 623081892 /nfs/dbraw/zinc/08/18/92/623081892.db2.gz TULCKXJQIZLCEF-QGZVFWFLSA-N 2 2 320.868 3.185 20 0 DGADLP FC(F)(F)COc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229733 623083149 /nfs/dbraw/zinc/08/31/49/623083149.db2.gz FFWYOYMAKRANMS-LSDHHAIUSA-N 2 2 314.351 3.002 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)cc2)c[nH+]1 ZINC000873233016 623085767 /nfs/dbraw/zinc/08/57/67/623085767.db2.gz WDSZPWVCGKYEFS-LJQANCHMSA-N 3 2 324.472 3.274 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000873236057 623086812 /nfs/dbraw/zinc/08/68/12/623086812.db2.gz WURHLUGYPAXRMB-CZUORRHYSA-N 2 2 315.461 3.000 20 0 DGADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1C ZINC000774978193 623212660 /nfs/dbraw/zinc/21/26/60/623212660.db2.gz NPTHXRFKZZSYJL-QGZVFWFLSA-N 2 2 301.434 3.405 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[NH+]1CCCCC1 ZINC000775365567 623260218 /nfs/dbraw/zinc/26/02/18/623260218.db2.gz OVAHZZQKLYWWIE-RBSFLKMASA-N 2 2 314.564 3.220 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)[nH+]c1 ZINC000775379065 623262425 /nfs/dbraw/zinc/26/24/25/623262425.db2.gz DIOVNKZKXXSDAI-IJEWVQPXSA-N 2 2 323.531 3.243 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775386823 623264801 /nfs/dbraw/zinc/26/48/01/623264801.db2.gz UQFUSXMFZAUHSA-YIDVYQOGSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775386823 623264805 /nfs/dbraw/zinc/26/48/05/623264805.db2.gz UQFUSXMFZAUHSA-YIDVYQOGSA-N 2 2 314.564 3.219 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)ccc2O1 ZINC000778188542 623622211 /nfs/dbraw/zinc/62/22/11/623622211.db2.gz HNCBFGPXXLRYNI-MRXNPFEDSA-N 2 2 311.429 3.091 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000876651028 623670290 /nfs/dbraw/zinc/67/02/90/623670290.db2.gz NPNVDRHLBSFOMN-UHFFFAOYSA-N 2 2 303.381 3.258 20 0 DGADLP ClC1(Cl)C[C@H]1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000876921427 623744876 /nfs/dbraw/zinc/74/48/76/623744876.db2.gz OUUICTODBVAULC-AWEZNQCLSA-N 2 2 310.228 3.215 20 0 DGADLP ClC1(Cl)C[C@H]1C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000876928445 623746553 /nfs/dbraw/zinc/74/65/53/623746553.db2.gz FAOVCVPTUZFMFB-LBPRGKRZSA-N 2 2 323.333 3.131 20 0 DGADLP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000876932668 623747515 /nfs/dbraw/zinc/74/75/15/623747515.db2.gz SMYGQGBIQLSOHH-MGPUTAFESA-N 2 2 304.415 3.031 20 0 DGADLP CSC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000876946765 623751607 /nfs/dbraw/zinc/75/16/07/623751607.db2.gz QTELQGFQFHCKTP-UHFFFAOYSA-N 2 2 307.507 3.167 20 0 DGADLP COc1cccc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876951097 623753061 /nfs/dbraw/zinc/75/30/61/623753061.db2.gz DFHYYZHDZAWPKP-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000779391988 623765347 /nfs/dbraw/zinc/76/53/47/623765347.db2.gz LYWUYUBVGGMVKY-ZIAGYGMSSA-N 2 2 309.454 3.008 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000779391985 623765861 /nfs/dbraw/zinc/76/58/61/623765861.db2.gz LYWUYUBVGGMVKY-KBPBESRZSA-N 2 2 309.454 3.008 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000877066257 623781947 /nfs/dbraw/zinc/78/19/47/623781947.db2.gz HVULEJDGQFNNQW-JQHSSLGASA-N 2 2 315.461 3.355 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530316 623928015 /nfs/dbraw/zinc/92/80/15/623928015.db2.gz CPQAUNILZPZLNC-NHYWBVRUSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530316 623928016 /nfs/dbraw/zinc/92/80/16/623928016.db2.gz CPQAUNILZPZLNC-NHYWBVRUSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530316 623928018 /nfs/dbraw/zinc/92/80/18/623928018.db2.gz CPQAUNILZPZLNC-NHYWBVRUSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530316 623928020 /nfs/dbraw/zinc/92/80/20/623928020.db2.gz CPQAUNILZPZLNC-NHYWBVRUSA-N 2 2 316.367 3.199 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877741938 624015541 /nfs/dbraw/zinc/01/55/41/624015541.db2.gz BSQBTHXFJVMEGP-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877741938 624015545 /nfs/dbraw/zinc/01/55/45/624015545.db2.gz BSQBTHXFJVMEGP-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877741938 624015548 /nfs/dbraw/zinc/01/55/48/624015548.db2.gz BSQBTHXFJVMEGP-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1OC ZINC000877741938 624015551 /nfs/dbraw/zinc/01/55/51/624015551.db2.gz BSQBTHXFJVMEGP-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP Cc1nc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393914 624065246 /nfs/dbraw/zinc/06/52/46/624065246.db2.gz JAYXMHYCIMCJCO-HOCLYGCPSA-N 2 2 302.466 3.467 20 0 DGADLP Cc1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393914 624065249 /nfs/dbraw/zinc/06/52/49/624065249.db2.gz JAYXMHYCIMCJCO-HOCLYGCPSA-N 2 2 302.466 3.467 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176181 624203308 /nfs/dbraw/zinc/20/33/08/624203308.db2.gz JHYAUWMIKIDPOU-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176181 624203314 /nfs/dbraw/zinc/20/33/14/624203314.db2.gz JHYAUWMIKIDPOU-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176181 624203317 /nfs/dbraw/zinc/20/33/17/624203317.db2.gz JHYAUWMIKIDPOU-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878176181 624203322 /nfs/dbraw/zinc/20/33/22/624203322.db2.gz JHYAUWMIKIDPOU-WCIQWLHISA-N 2 2 314.473 3.465 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397760 624266219 /nfs/dbraw/zinc/26/62/19/624266219.db2.gz SMBYTXRKXCZWSZ-CBVHJVASSA-N 2 2 311.429 3.481 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)C1CC1 ZINC000782755859 624280051 /nfs/dbraw/zinc/28/00/51/624280051.db2.gz BHMJYBRRMJZKOU-MOPGFXCFSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784591168 624554668 /nfs/dbraw/zinc/55/46/68/624554668.db2.gz FQTHOMVRMILYPT-SWLSCSKDSA-N 2 2 317.414 3.129 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000879569017 624594018 /nfs/dbraw/zinc/59/40/18/624594018.db2.gz HNBNBHIXICPGLH-MJGOQNOKSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000879569017 624594023 /nfs/dbraw/zinc/59/40/23/624594023.db2.gz HNBNBHIXICPGLH-MJGOQNOKSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1C ZINC000879569017 624594028 /nfs/dbraw/zinc/59/40/28/624594028.db2.gz HNBNBHIXICPGLH-MJGOQNOKSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1C ZINC000879569017 624594035 /nfs/dbraw/zinc/59/40/35/624594035.db2.gz HNBNBHIXICPGLH-MJGOQNOKSA-N 2 2 314.473 3.340 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC000879640007 624618257 /nfs/dbraw/zinc/61/82/57/624618257.db2.gz CQKNRKAQEDLHGC-MRXNPFEDSA-N 2 2 301.409 3.370 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC000879640007 624618260 /nfs/dbraw/zinc/61/82/60/624618260.db2.gz CQKNRKAQEDLHGC-MRXNPFEDSA-N 2 2 301.409 3.370 20 0 DGADLP Cc1nc(F)ccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000785420856 624662904 /nfs/dbraw/zinc/66/29/04/624662904.db2.gz SFHWWSWJLRAEAX-UHFFFAOYSA-N 2 2 310.376 3.064 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1nccnc1C ZINC000880108844 624791342 /nfs/dbraw/zinc/79/13/42/624791342.db2.gz KDPXCASSEHNQJM-OAHLLOKOSA-N 2 2 307.401 3.130 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1C ZINC000880130201 624799752 /nfs/dbraw/zinc/79/97/52/624799752.db2.gz DVKXSAKEWXMYBC-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1C ZINC000880130201 624799755 /nfs/dbraw/zinc/79/97/55/624799755.db2.gz DVKXSAKEWXMYBC-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1C ZINC000880130201 624799757 /nfs/dbraw/zinc/79/97/57/624799757.db2.gz DVKXSAKEWXMYBC-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1C ZINC000880130201 624799760 /nfs/dbraw/zinc/79/97/60/624799760.db2.gz DVKXSAKEWXMYBC-RTBURBONSA-N 2 2 302.462 3.241 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141373 624804389 /nfs/dbraw/zinc/80/43/89/624804389.db2.gz ICMZSZIVQDQWPT-GUDVDZBRSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)c1ccccc1 ZINC000880141373 624804391 /nfs/dbraw/zinc/80/43/91/624804391.db2.gz ICMZSZIVQDQWPT-GUDVDZBRSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000880141373 624804392 /nfs/dbraw/zinc/80/43/92/624804392.db2.gz ICMZSZIVQDQWPT-GUDVDZBRSA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C)c1ccccc1 ZINC000880141373 624804395 /nfs/dbraw/zinc/80/43/95/624804395.db2.gz ICMZSZIVQDQWPT-GUDVDZBRSA-N 2 2 302.462 3.321 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142728 624806764 /nfs/dbraw/zinc/80/67/64/624806764.db2.gz TXINDTFTTKXHEB-MSOLQXFVSA-N 2 2 317.864 3.463 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142728 624806766 /nfs/dbraw/zinc/80/67/66/624806766.db2.gz TXINDTFTTKXHEB-MSOLQXFVSA-N 2 2 317.864 3.463 20 0 DGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000880142728 624806769 /nfs/dbraw/zinc/80/67/69/624806769.db2.gz TXINDTFTTKXHEB-MSOLQXFVSA-N 2 2 317.864 3.463 20 0 DGADLP CCc1ccccc1CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203983 624838281 /nfs/dbraw/zinc/83/82/81/624838281.db2.gz JGNSQXYPTJEJJQ-FQEVSTJZSA-N 2 2 316.489 3.025 20 0 DGADLP CCc1ccccc1CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203983 624838285 /nfs/dbraw/zinc/83/82/85/624838285.db2.gz JGNSQXYPTJEJJQ-FQEVSTJZSA-N 2 2 316.489 3.025 20 0 DGADLP C(=C/c1ccccc1)\CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206192 624840896 /nfs/dbraw/zinc/84/08/96/624840896.db2.gz CTLHQUIVCDMFJL-ZTJJKMQJSA-N 2 2 314.473 3.323 20 0 DGADLP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206192 624840900 /nfs/dbraw/zinc/84/09/00/624840900.db2.gz CTLHQUIVCDMFJL-ZTJJKMQJSA-N 2 2 314.473 3.323 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208455 624842265 /nfs/dbraw/zinc/84/22/65/624842265.db2.gz SDMZVCLHTKIHSM-MOPGFXCFSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208455 624842268 /nfs/dbraw/zinc/84/22/68/624842268.db2.gz SDMZVCLHTKIHSM-MOPGFXCFSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209369 624844950 /nfs/dbraw/zinc/84/49/50/624844950.db2.gz SWDPFGRRWXXQBX-PXNSSMCTSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209369 624844955 /nfs/dbraw/zinc/84/49/55/624844955.db2.gz SWDPFGRRWXXQBX-PXNSSMCTSA-N 2 2 316.489 3.241 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000880255518 624871412 /nfs/dbraw/zinc/87/14/12/624871412.db2.gz NLHZVUCUEHQNJN-SFHVURJKSA-N 2 2 324.509 3.260 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCc2cscn2)CC1 ZINC000880255610 624871598 /nfs/dbraw/zinc/87/15/98/624871598.db2.gz RNLZQZBJSJCMTF-UHFFFAOYSA-N 2 2 307.507 3.416 20 0 DGADLP c1csc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000880319355 624916543 /nfs/dbraw/zinc/91/65/43/624916543.db2.gz WJBQITHTCKKLHZ-HNNXBMFYSA-N 2 2 310.426 3.318 20 0 DGADLP c1csc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000880319355 624916547 /nfs/dbraw/zinc/91/65/47/624916547.db2.gz WJBQITHTCKKLHZ-HNNXBMFYSA-N 2 2 310.426 3.318 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000880472464 624963715 /nfs/dbraw/zinc/96/37/15/624963715.db2.gz POPAVRBARMSIGG-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC1CCCC1 ZINC000880569835 624980086 /nfs/dbraw/zinc/98/00/86/624980086.db2.gz QGTFWPSPDYPYIP-OALUTQOASA-N 2 2 313.445 3.155 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000788483571 625193740 /nfs/dbraw/zinc/19/37/40/625193740.db2.gz SVDPHRKTNMWAOL-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000788483571 625193741 /nfs/dbraw/zinc/19/37/41/625193741.db2.gz SVDPHRKTNMWAOL-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP Clc1cccc2c1[C@@H]([NH2+]CCCNc1cccc[nH+]1)COC2 ZINC000788623683 625231310 /nfs/dbraw/zinc/23/13/10/625231310.db2.gz GBGNYPKDNHMVNZ-HNNXBMFYSA-N 2 2 317.820 3.398 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cn1c2ccccc2oc1=S ZINC000130634540 625881140 /nfs/dbraw/zinc/88/11/40/625881140.db2.gz JUECQHJOMOTWPF-UHFFFAOYSA-N 2 2 302.403 3.140 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1c2ccccc2oc1=S ZINC000130634540 625881146 /nfs/dbraw/zinc/88/11/46/625881146.db2.gz JUECQHJOMOTWPF-UHFFFAOYSA-N 2 2 302.403 3.140 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166280 625949478 /nfs/dbraw/zinc/94/94/78/625949478.db2.gz WOIBSOYLANDFPB-RTBURBONSA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166280 625949481 /nfs/dbraw/zinc/94/94/81/625949481.db2.gz WOIBSOYLANDFPB-RTBURBONSA-N 2 2 320.452 3.367 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000796766263 626080571 /nfs/dbraw/zinc/08/05/71/626080571.db2.gz UOBJTDBKKHDNCG-FFZOFVMBSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000796766263 626080574 /nfs/dbraw/zinc/08/05/74/626080574.db2.gz UOBJTDBKKHDNCG-FFZOFVMBSA-N 2 2 316.489 3.399 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cn1 ZINC000798925583 626259969 /nfs/dbraw/zinc/25/99/69/626259969.db2.gz BMZSHXZMFQIUAX-QGZVFWFLSA-N 2 2 319.412 3.138 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255001 626625518 /nfs/dbraw/zinc/62/55/18/626625518.db2.gz IMQMVQUNEKZUPI-HOCLYGCPSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255001 626625520 /nfs/dbraw/zinc/62/55/20/626625520.db2.gz IMQMVQUNEKZUPI-HOCLYGCPSA-N 2 2 323.431 3.317 20 0 DGADLP COCC(C)(C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883345141 626655167 /nfs/dbraw/zinc/65/51/67/626655167.db2.gz SLKMSSAIRIZYGG-SFHVURJKSA-N 2 2 317.477 3.056 20 0 DGADLP COCC(C)(C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883345141 626655170 /nfs/dbraw/zinc/65/51/70/626655170.db2.gz SLKMSSAIRIZYGG-SFHVURJKSA-N 2 2 317.477 3.056 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000883357431 626659667 /nfs/dbraw/zinc/65/96/67/626659667.db2.gz LDBOYMXXDPZGEL-AWEZNQCLSA-N 2 2 320.399 3.095 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCC4(CCC4)O3)c2)c[nH+]1 ZINC000883364065 626662297 /nfs/dbraw/zinc/66/22/97/626662297.db2.gz WNZFNLBNLAQGBR-CQSZACIVSA-N 2 2 303.431 3.125 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386992 626668732 /nfs/dbraw/zinc/66/87/32/626668732.db2.gz PWLXBWWASALLFG-KSSFIOAISA-N 2 2 309.417 3.017 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n(C)n1 ZINC000883387999 626669681 /nfs/dbraw/zinc/66/96/81/626669681.db2.gz KDAIQZPEERKGHC-NVXWUHKLSA-N 2 2 309.417 3.017 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)c2ccccc2)c[nH+]1 ZINC000883397768 626672523 /nfs/dbraw/zinc/67/25/23/626672523.db2.gz VAJHQTZRGIMSIN-GOSISDBHSA-N 2 2 319.412 3.082 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2ccc3c(n2)CCC3)c2ccccc2)c[nH+]1 ZINC000883397720 626672687 /nfs/dbraw/zinc/67/26/87/626672687.db2.gz TWJHRBGQIFFBQS-FQEVSTJZSA-N 2 2 318.424 3.298 20 0 DGADLP c1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n(CC2CC2)n1 ZINC000883397562 626672759 /nfs/dbraw/zinc/67/27/59/626672759.db2.gz PQINNIVZTCGTIC-LJQANCHMSA-N 2 2 321.428 3.021 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883450781 626684526 /nfs/dbraw/zinc/68/45/26/626684526.db2.gz XPCGSLPIULLKME-QYZOEREBSA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883450781 626684528 /nfs/dbraw/zinc/68/45/28/626684528.db2.gz XPCGSLPIULLKME-QYZOEREBSA-N 2 2 302.462 3.371 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000810212687 626988943 /nfs/dbraw/zinc/98/89/43/626988943.db2.gz VSJHDZQGYBPLLJ-CQSZACIVSA-N 2 2 323.396 3.437 20 0 DGADLP FC(F)COc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000885935785 627064077 /nfs/dbraw/zinc/06/40/77/627064077.db2.gz RGAVVJYAWWKYLR-UHFFFAOYSA-N 2 2 309.360 3.097 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000885999879 627080071 /nfs/dbraw/zinc/08/00/71/627080071.db2.gz OZNBNIBGZPTVGC-OALUTQOASA-N 2 2 316.489 3.023 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000886104727 627105761 /nfs/dbraw/zinc/10/57/61/627105761.db2.gz JBNDKRUCLAFXIX-KYNGSXCRSA-N 2 2 311.429 3.481 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000886104725 627105937 /nfs/dbraw/zinc/10/59/37/627105937.db2.gz JBNDKRUCLAFXIX-GDIGMMSISA-N 2 2 311.429 3.481 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC4(CCC4)CO3)cc2)c[nH+]1 ZINC000886319544 627136710 /nfs/dbraw/zinc/13/67/10/627136710.db2.gz HKFYCRQDIBZOKT-SFHVURJKSA-N 2 2 311.429 3.311 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cccc(Cl)n3)CC2)[nH+]c1C ZINC000886666578 627184245 /nfs/dbraw/zinc/18/42/45/627184245.db2.gz VODOGRICWDFYPJ-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP c1ccc2c(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000886876076 627212132 /nfs/dbraw/zinc/21/21/32/627212132.db2.gz DIEXCWMUJMGSPH-KRWDZBQOSA-N 2 2 301.459 3.262 20 0 DGADLP c1ccc2c(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000886876076 627212134 /nfs/dbraw/zinc/21/21/34/627212134.db2.gz DIEXCWMUJMGSPH-KRWDZBQOSA-N 2 2 301.459 3.262 20 0 DGADLP CC[C@@H](CSC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812842358 627428199 /nfs/dbraw/zinc/42/81/99/627428199.db2.gz IVNNYUGJUPIRJM-HNNXBMFYSA-N 2 2 321.534 3.453 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000815117870 627629236 /nfs/dbraw/zinc/62/92/36/627629236.db2.gz WECWEWQFVKMEHF-SQNIBIBYSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000924549321 627648007 /nfs/dbraw/zinc/64/80/07/627648007.db2.gz HZYPDHKGKYHIBP-SSSCAMEASA-N 2 2 311.429 3.481 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ncc(C(F)(F)F)cc1Cl ZINC000924554337 627648945 /nfs/dbraw/zinc/64/89/45/627648945.db2.gz VWCTYXFPKZHJKB-SECBINFHSA-N 2 2 318.730 3.301 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000924617184 627657869 /nfs/dbraw/zinc/65/78/69/627657869.db2.gz KNRSKLVBEDLQDN-LBPRGKRZSA-N 2 2 314.271 3.225 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000924617184 627657871 /nfs/dbraw/zinc/65/78/71/627657871.db2.gz KNRSKLVBEDLQDN-LBPRGKRZSA-N 2 2 314.271 3.225 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924682894 627666317 /nfs/dbraw/zinc/66/63/17/627666317.db2.gz YMTAVBRSGKQDKS-MOPGFXCFSA-N 3 2 307.526 3.105 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000924682894 627666320 /nfs/dbraw/zinc/66/63/20/627666320.db2.gz YMTAVBRSGKQDKS-MOPGFXCFSA-N 3 2 307.526 3.105 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924700364 627669854 /nfs/dbraw/zinc/66/98/54/627669854.db2.gz YHILWDOTZVQTQN-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924699761 627670149 /nfs/dbraw/zinc/67/01/49/627670149.db2.gz ULIGEVMSRGYWBC-MSOLQXFVSA-N 2 2 315.461 3.142 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924699761 627670153 /nfs/dbraw/zinc/67/01/53/627670153.db2.gz ULIGEVMSRGYWBC-MSOLQXFVSA-N 2 2 315.461 3.142 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000924729281 627674308 /nfs/dbraw/zinc/67/43/08/627674308.db2.gz HPQOBEGOASDKPI-UXHICEINSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2)c1 ZINC000924729281 627674310 /nfs/dbraw/zinc/67/43/10/627674310.db2.gz HPQOBEGOASDKPI-UXHICEINSA-N 2 2 324.472 3.038 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c[nH+]1 ZINC000924769572 627677821 /nfs/dbraw/zinc/67/78/21/627677821.db2.gz KARMVMDAVTZKTI-IEBWSBKVSA-N 2 2 311.429 3.167 20 0 DGADLP COc1ccnc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000924926136 627693971 /nfs/dbraw/zinc/69/39/71/627693971.db2.gz KNIVHCJCQFNQBN-AWEZNQCLSA-N 2 2 300.406 3.028 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000925012338 627701265 /nfs/dbraw/zinc/70/12/65/627701265.db2.gz UMWAITZAAHJCBR-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012338 627701268 /nfs/dbraw/zinc/70/12/68/627701268.db2.gz UMWAITZAAHJCBR-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)Cc2ccccc2C1 ZINC000925140379 627712651 /nfs/dbraw/zinc/71/26/51/627712651.db2.gz GTXYNSZVRWNNDV-AYHJJNSGSA-N 2 2 316.514 3.102 20 0 DGADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)CCC2 ZINC000925172232 627715670 /nfs/dbraw/zinc/71/56/70/627715670.db2.gz RUMQHDQBDIQWPA-LZLYRXPVSA-N 2 2 310.445 3.157 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc2c1OCO2 ZINC000925221379 627720485 /nfs/dbraw/zinc/72/04/85/627720485.db2.gz MMLLEOILBLZCPH-AWEZNQCLSA-N 2 2 316.445 3.473 20 0 DGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C[NH+](C)C)c1 ZINC000925230986 627722167 /nfs/dbraw/zinc/72/21/67/627722167.db2.gz GMBONSPWUWQHBM-MRXNPFEDSA-N 3 2 312.461 3.296 20 0 DGADLP CC(C)OCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925480948 627741111 /nfs/dbraw/zinc/74/11/11/627741111.db2.gz MQNJMQSRKFTBNN-GOSISDBHSA-N 2 2 302.462 3.376 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541027 627750458 /nfs/dbraw/zinc/75/04/58/627750458.db2.gz GZYDRBXHYTXCQL-CMTQZCSUSA-N 3 2 315.505 3.462 20 0 DGADLP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000925569751 627756471 /nfs/dbraw/zinc/75/64/71/627756471.db2.gz SWGNAGOEVQQOTB-GJZGRUSLSA-N 3 2 316.424 3.007 20 0 DGADLP Clc1ccc2sc(CC[NH2+][C@H]3CC[NH2+]C34CCC4)nc2c1 ZINC000925580892 627758062 /nfs/dbraw/zinc/75/80/62/627758062.db2.gz PCBULLVUXVADFB-AWEZNQCLSA-N 2 2 321.877 3.366 20 0 DGADLP CC[C@@H]1COC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000925595995 627760487 /nfs/dbraw/zinc/76/04/87/627760487.db2.gz VZANTGLHRNGPNS-BHIYHBOVSA-N 2 2 313.445 3.256 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000925632112 627765797 /nfs/dbraw/zinc/76/57/97/627765797.db2.gz ZZOFOBHIVGOAQC-GOPGUHFVSA-N 2 2 322.811 3.191 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccccc1 ZINC000925640632 627767695 /nfs/dbraw/zinc/76/76/95/627767695.db2.gz UMIAQKALLGMGRH-VHSSKADRSA-N 2 2 318.848 3.226 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccccc1 ZINC000925639702 627767737 /nfs/dbraw/zinc/76/77/37/627767737.db2.gz MRVAIJLBHXVSAW-MORSLUCNSA-N 2 2 318.848 3.226 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccccc1 ZINC000925640629 627767903 /nfs/dbraw/zinc/76/79/03/627767903.db2.gz UMIAQKALLGMGRH-DOPJRALCSA-N 2 2 318.848 3.226 20 0 DGADLP C[C@@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nccn1-c1ccccc1 ZINC000925673306 627774715 /nfs/dbraw/zinc/77/47/15/627774715.db2.gz MVSXWXNAOWSCEK-NRSFXHEJSA-N 2 2 324.472 3.300 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925676168 627775098 /nfs/dbraw/zinc/77/50/98/627775098.db2.gz YISCALBFMROPIH-URLQWDBASA-N 2 2 313.420 3.083 20 0 DGADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC000925724865 627782359 /nfs/dbraw/zinc/78/23/59/627782359.db2.gz NNSSCSZCAIKECZ-PMPSAXMXSA-N 2 2 324.827 3.183 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925725384 627782428 /nfs/dbraw/zinc/78/24/28/627782428.db2.gz SYECDIBYGONWCZ-OAGGEKHMSA-N 2 2 306.837 3.044 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1 ZINC000925734058 627784435 /nfs/dbraw/zinc/78/44/35/627784435.db2.gz MIKQGNYXLHALFV-AAEUAGOBSA-N 2 2 306.397 3.350 20 0 DGADLP Cc1ccc([C@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c(C)c1 ZINC000925751385 627787696 /nfs/dbraw/zinc/78/76/96/627787696.db2.gz PDWQXGVNTDPQNY-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1ccc([C@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c(C)c1 ZINC000925751385 627787698 /nfs/dbraw/zinc/78/76/98/627787698.db2.gz PDWQXGVNTDPQNY-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(Cl)n1 ZINC000925763353 627790456 /nfs/dbraw/zinc/79/04/56/627790456.db2.gz BUQSNHSTTXRXTG-JKSUJKDBSA-N 2 2 307.869 3.301 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C2CC2)c1 ZINC000925794376 627796184 /nfs/dbraw/zinc/79/61/84/627796184.db2.gz DZZGWOLDVIZXOV-BEFAXECRSA-N 2 2 314.473 3.373 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794655 627796307 /nfs/dbraw/zinc/79/63/07/627796307.db2.gz HSOLGZKIDXRGRK-CRAIPNDOSA-N 2 2 314.473 3.157 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc(C)c1F ZINC000925796482 627796915 /nfs/dbraw/zinc/79/69/15/627796915.db2.gz MJFHPSDWWAKMQE-DOTOQJQBSA-N 2 2 320.452 3.252 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224491 627865216 /nfs/dbraw/zinc/86/52/16/627865216.db2.gz QKPKWEFFFKJQKB-QFBILLFUSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccnnc1 ZINC000926224491 627865219 /nfs/dbraw/zinc/86/52/19/627865219.db2.gz QKPKWEFFFKJQKB-QFBILLFUSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288174 627874842 /nfs/dbraw/zinc/87/48/42/627874842.db2.gz RDADSXOEXFLGAM-QFBILLFUSA-N 2 2 317.477 3.013 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288174 627874843 /nfs/dbraw/zinc/87/48/43/627874843.db2.gz RDADSXOEXFLGAM-QFBILLFUSA-N 2 2 317.477 3.013 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)cc1 ZINC000926450491 627898022 /nfs/dbraw/zinc/89/80/22/627898022.db2.gz NLDYLLAGNPAZJD-UZLBHIALSA-N 2 2 318.424 3.350 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)CO ZINC000926496297 627904817 /nfs/dbraw/zinc/90/48/17/627904817.db2.gz ABPJOJKGOXZLRC-GFCCVEGCSA-N 2 2 307.825 3.022 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000926762042 627948820 /nfs/dbraw/zinc/94/88/20/627948820.db2.gz KUJQSUDQLRFCQM-VDGAXYAQSA-N 2 2 313.489 3.399 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)nc1 ZINC000926762042 627948824 /nfs/dbraw/zinc/94/88/24/627948824.db2.gz KUJQSUDQLRFCQM-VDGAXYAQSA-N 2 2 313.489 3.399 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1csc2ccccc12 ZINC000817899829 627955870 /nfs/dbraw/zinc/95/58/70/627955870.db2.gz QIWXRSQEVJNSSQ-MGPQQGTHSA-N 2 2 304.459 3.319 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926722 627963296 /nfs/dbraw/zinc/96/32/96/627963296.db2.gz SUGDEKJEYOWHRJ-IJLUTSLNSA-N 2 2 301.217 3.286 20 0 DGADLP c1cc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(-c2ccccc2)n1 ZINC000926881358 627969422 /nfs/dbraw/zinc/96/94/22/627969422.db2.gz YOTDTIGQGSSXBB-WOJBJXKFSA-N 2 2 324.472 3.021 20 0 DGADLP c1cc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n(-c2ccccc2)n1 ZINC000926881358 627969423 /nfs/dbraw/zinc/96/94/23/627969423.db2.gz YOTDTIGQGSSXBB-WOJBJXKFSA-N 2 2 324.472 3.021 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc12 ZINC000926885799 627970241 /nfs/dbraw/zinc/97/02/41/627970241.db2.gz QGCPGYCZBATHOH-QZTJIDSGSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc12 ZINC000926885799 627970244 /nfs/dbraw/zinc/97/02/44/627970244.db2.gz QGCPGYCZBATHOH-QZTJIDSGSA-N 2 2 311.429 3.047 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCOC12CCCCC2)c1cccnc1 ZINC000926902060 627975262 /nfs/dbraw/zinc/97/52/62/627975262.db2.gz UOKCHEPKCXDOME-ROUUACIJSA-N 2 2 317.477 3.156 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000817960586 627975610 /nfs/dbraw/zinc/97/56/10/627975610.db2.gz ORABGEVMQKWXKN-VIFPVBQESA-N 2 2 318.234 3.151 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926942116 627986094 /nfs/dbraw/zinc/98/60/94/627986094.db2.gz MTRKMJLADCQBDJ-XZKMEQPCSA-N 2 2 309.413 3.114 20 0 DGADLP CC(C)[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926956978 627989022 /nfs/dbraw/zinc/98/90/22/627989022.db2.gz DWKAPXNFLGXQBP-KRWDZBQOSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926956978 627989024 /nfs/dbraw/zinc/98/90/24/627989024.db2.gz DWKAPXNFLGXQBP-KRWDZBQOSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)n1c[nH+]cc1CNc1ccc(OCCC[NH+](C)C)cc1 ZINC000818196493 628003280 /nfs/dbraw/zinc/00/32/80/628003280.db2.gz QCSQNHXABLUTOO-UHFFFAOYSA-N 2 2 316.449 3.407 20 0 DGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000927108359 628016623 /nfs/dbraw/zinc/01/66/23/628016623.db2.gz IRLBARCYLARLER-PXNSSMCTSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000927108359 628016626 /nfs/dbraw/zinc/01/66/26/628016626.db2.gz IRLBARCYLARLER-PXNSSMCTSA-N 2 2 316.489 3.159 20 0 DGADLP Fc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489610 628567777 /nfs/dbraw/zinc/56/77/77/628567777.db2.gz JMUSJLDQJKZLGQ-DOMZBBRYSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489610 628567780 /nfs/dbraw/zinc/56/77/80/628567780.db2.gz JMUSJLDQJKZLGQ-DOMZBBRYSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccnc1Cl ZINC000823489610 628567784 /nfs/dbraw/zinc/56/77/84/628567784.db2.gz JMUSJLDQJKZLGQ-DOMZBBRYSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489610 628567786 /nfs/dbraw/zinc/56/77/86/628567786.db2.gz JMUSJLDQJKZLGQ-DOMZBBRYSA-N 2 2 323.843 3.323 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC(C)(F)F)CC2)cc1 ZINC000824484052 628665045 /nfs/dbraw/zinc/66/50/45/628665045.db2.gz ZJMMSNOCBIOOOG-UHFFFAOYSA-N 2 2 311.420 3.356 20 0 DGADLP Cc1cccc2c1CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000824719820 628687063 /nfs/dbraw/zinc/68/70/63/628687063.db2.gz HJHIVDUMOOJKDS-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1cccc2c1CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000824719820 628687064 /nfs/dbraw/zinc/68/70/64/628687064.db2.gz HJHIVDUMOOJKDS-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP CC(C)CC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000827965297 629009501 /nfs/dbraw/zinc/00/95/01/629009501.db2.gz WGNJKPJNAUKSMD-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000827965297 629009502 /nfs/dbraw/zinc/00/95/02/629009502.db2.gz WGNJKPJNAUKSMD-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000827965297 629009503 /nfs/dbraw/zinc/00/95/03/629009503.db2.gz WGNJKPJNAUKSMD-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)CC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000827965297 629009505 /nfs/dbraw/zinc/00/95/05/629009505.db2.gz WGNJKPJNAUKSMD-LJQANCHMSA-N 2 2 316.489 3.446 20 0 DGADLP CN(CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000828114537 629024345 /nfs/dbraw/zinc/02/43/45/629024345.db2.gz AEICJHLMEUTAPW-UHFFFAOYSA-N 2 2 324.472 3.484 20 0 DGADLP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000842478463 630540432 /nfs/dbraw/zinc/54/04/32/630540432.db2.gz JCYAZEOGJYRVSI-KRWDZBQOSA-N 3 2 318.509 3.308 20 0 DGADLP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000842478463 630540434 /nfs/dbraw/zinc/54/04/34/630540434.db2.gz JCYAZEOGJYRVSI-KRWDZBQOSA-N 3 2 318.509 3.308 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000842674268 630561452 /nfs/dbraw/zinc/56/14/52/630561452.db2.gz MAAZVBLIERIMNK-UHFFFAOYSA-N 2 2 309.417 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843047472 630608438 /nfs/dbraw/zinc/60/84/38/630608438.db2.gz ORQDUAIGQDUDHR-AWEZNQCLSA-N 2 2 318.852 3.005 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843047472 630608440 /nfs/dbraw/zinc/60/84/40/630608440.db2.gz ORQDUAIGQDUDHR-AWEZNQCLSA-N 2 2 318.852 3.005 20 0 DGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC([NH3+])CC3)c2cc1C(C)C ZINC000843345059 630648081 /nfs/dbraw/zinc/64/80/81/630648081.db2.gz OVYSFBLQDUIOTN-UHFFFAOYSA-N 2 2 314.429 3.148 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1SC(F)(F)F ZINC000843345159 630648323 /nfs/dbraw/zinc/64/83/23/630648323.db2.gz WPPFZEAJRRBLEK-UHFFFAOYSA-N 2 2 320.380 3.230 20 0 DGADLP Clc1nc2ccccc2cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843382411 630651144 /nfs/dbraw/zinc/65/11/44/630651144.db2.gz OWZVXYZIEUMKPZ-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1nc2ccccc2cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843382411 630651146 /nfs/dbraw/zinc/65/11/46/630651146.db2.gz OWZVXYZIEUMKPZ-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP C[C@@]1(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@]1(F)Cl ZINC000846037122 631207340 /nfs/dbraw/zinc/20/73/40/631207340.db2.gz YWNRHKIUOBFGKQ-CVEARBPZSA-N 2 2 311.832 3.345 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2ccccc2n1 ZINC000848521401 631675469 /nfs/dbraw/zinc/67/54/69/631675469.db2.gz NWKYGNLUDZGZGK-GOEBONIOSA-N 2 2 311.433 3.296 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848574998 631700083 /nfs/dbraw/zinc/70/00/83/631700083.db2.gz KOHKBIDXJCTEKA-MOPGFXCFSA-N 2 2 318.461 3.166 20 0 DGADLP CCOCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848574998 631700087 /nfs/dbraw/zinc/70/00/87/631700087.db2.gz KOHKBIDXJCTEKA-MOPGFXCFSA-N 2 2 318.461 3.166 20 0 DGADLP CCCNC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000848981432 631796433 /nfs/dbraw/zinc/79/64/33/631796433.db2.gz WIGGFDRKOZCVKG-OAHLLOKOSA-N 2 2 308.857 3.001 20 0 DGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000849066778 631824929 /nfs/dbraw/zinc/82/49/29/631824929.db2.gz PDUWNJCOTKKLFO-UHFFFAOYSA-N 2 2 320.400 3.021 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccoc3)CC2)cc1 ZINC000850376954 632131254 /nfs/dbraw/zinc/13/12/54/632131254.db2.gz PPVQKVYTGNNFLD-UHFFFAOYSA-N 2 2 313.445 3.147 20 0 DGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850555884 632191567 /nfs/dbraw/zinc/19/15/67/632191567.db2.gz CVHBZIRUVXYPFU-VQTJNVASSA-N 2 2 316.489 3.097 20 0 DGADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000703877099 660794562 /nfs/dbraw/zinc/79/45/62/660794562.db2.gz CUDGVOWHQAIEBA-INIZCTEOSA-N 2 2 315.848 3.347 20 0 DGADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000703877099 660794564 /nfs/dbraw/zinc/79/45/64/660794564.db2.gz CUDGVOWHQAIEBA-INIZCTEOSA-N 2 2 315.848 3.347 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000792923712 660994160 /nfs/dbraw/zinc/99/41/60/660994160.db2.gz SBYTVWXKLTUSNG-QGZVFWFLSA-N 2 2 300.450 3.224 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000793519947 661040723 /nfs/dbraw/zinc/04/07/23/661040723.db2.gz RNFHWVDMEOMTSO-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000793530480 661042202 /nfs/dbraw/zinc/04/22/02/661042202.db2.gz ATPXJNDJHHFFOR-ILRDRHFLSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000793530480 661042205 /nfs/dbraw/zinc/04/22/05/661042205.db2.gz ATPXJNDJHHFFOR-ILRDRHFLSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000934342654 655769475 /nfs/dbraw/zinc/76/94/75/655769475.db2.gz AORASNZFPUKWCG-SFHVURJKSA-N 2 2 303.450 3.103 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)nc1 ZINC000934342654 655769477 /nfs/dbraw/zinc/76/94/77/655769477.db2.gz AORASNZFPUKWCG-SFHVURJKSA-N 2 2 303.450 3.103 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(Br)cc1 ZINC000328572972 656060602 /nfs/dbraw/zinc/06/06/02/656060602.db2.gz VGQVNIAHKTWNAO-AUUNLFOPSA-N 2 2 321.262 3.096 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000931470996 656291800 /nfs/dbraw/zinc/29/18/00/656291800.db2.gz JFDWVTYIFDAWOU-UONOGXRCSA-N 2 2 322.415 3.293 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000090189247 656951492 /nfs/dbraw/zinc/95/14/92/656951492.db2.gz QIOFKNWSZSDQFR-LJQANCHMSA-N 2 2 309.457 3.267 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000090189247 656951497 /nfs/dbraw/zinc/95/14/97/656951497.db2.gz QIOFKNWSZSDQFR-LJQANCHMSA-N 2 2 309.457 3.267 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420410206 658095638 /nfs/dbraw/zinc/09/56/38/658095638.db2.gz WMSPFEMTULQOTI-HXUWFJFHSA-N 2 2 310.441 3.437 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420410206 658095648 /nfs/dbraw/zinc/09/56/48/658095648.db2.gz WMSPFEMTULQOTI-HXUWFJFHSA-N 2 2 310.441 3.437 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Br)c1 ZINC000054602932 658732048 /nfs/dbraw/zinc/73/20/48/658732048.db2.gz HKDVWOABDRZREX-GOOCMWNKSA-N 2 2 309.251 3.293 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1 ZINC000054602932 658732053 /nfs/dbraw/zinc/73/20/53/658732053.db2.gz HKDVWOABDRZREX-GOOCMWNKSA-N 2 2 309.251 3.293 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190853257 659131741 /nfs/dbraw/zinc/13/17/41/659131741.db2.gz MIHFPJNLOZTBHK-NSHDSACASA-N 2 2 300.805 3.006 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000190853257 659131747 /nfs/dbraw/zinc/13/17/47/659131747.db2.gz MIHFPJNLOZTBHK-NSHDSACASA-N 2 2 300.805 3.006 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(CSC(F)F)o1)Cn1cc[nH+]c1 ZINC000062254497 659312498 /nfs/dbraw/zinc/31/24/98/659312498.db2.gz XMBGRGBGPSEQAX-NSHDSACASA-N 2 2 315.389 3.358 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000929803433 661340307 /nfs/dbraw/zinc/34/03/07/661340307.db2.gz HYNFMCFHHXFYJQ-KGLIPLIRSA-N 2 2 317.355 3.020 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931285429 661464093 /nfs/dbraw/zinc/46/40/93/661464093.db2.gz NBFFEQOGKSXKKE-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931285429 661464095 /nfs/dbraw/zinc/46/40/95/661464095.db2.gz NBFFEQOGKSXKKE-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719761 661502109 /nfs/dbraw/zinc/50/21/09/661502109.db2.gz NLBRDQVFNKVWLX-NMLBUPMWSA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719761 661502111 /nfs/dbraw/zinc/50/21/11/661502111.db2.gz NLBRDQVFNKVWLX-NMLBUPMWSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719761 661502113 /nfs/dbraw/zinc/50/21/13/661502113.db2.gz NLBRDQVFNKVWLX-NMLBUPMWSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000931719761 661502115 /nfs/dbraw/zinc/50/21/15/661502115.db2.gz NLBRDQVFNKVWLX-NMLBUPMWSA-N 2 2 314.473 3.465 20 0 DGADLP C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C[NH+]1CCCC1 ZINC000190793831 662044411 /nfs/dbraw/zinc/04/44/11/662044411.db2.gz IFGLAMLWXLQKCM-LLVKDONJSA-N 2 2 300.805 3.006 20 0 DGADLP FC(F)(F)SCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000194069340 662156636 /nfs/dbraw/zinc/15/66/36/662156636.db2.gz DHYHMAXSSHXQDC-UHFFFAOYSA-N 2 2 301.337 3.215 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426769 662283627 /nfs/dbraw/zinc/28/36/27/662283627.db2.gz IYIJKQKTEPGYFS-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426769 662283629 /nfs/dbraw/zinc/28/36/29/662283629.db2.gz IYIJKQKTEPGYFS-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000390318159 685200670 /nfs/dbraw/zinc/20/06/70/685200670.db2.gz XFVQIUIEUVIEBB-CXAGYDPISA-N 2 2 315.417 3.377 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]C(C)C)C23CCC3)c(C)[nH+]1 ZINC001078684839 687703360 /nfs/dbraw/zinc/70/33/60/687703360.db2.gz BYMTYLIBAVJELO-HOTGVXAUSA-N 2 2 315.461 3.046 20 0 DGADLP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577182715 1191887463 /nfs/dbraw/zinc/88/74/63/1191887463.db2.gz RIQUVTKQXYZIJK-ROUUACIJSA-N 2 2 306.494 3.413 20 0 DGADLP CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577182715 1191887465 /nfs/dbraw/zinc/88/74/65/1191887465.db2.gz RIQUVTKQXYZIJK-ROUUACIJSA-N 2 2 306.494 3.413 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC001578275338 1191936376 /nfs/dbraw/zinc/93/63/76/1191936376.db2.gz JBDFPQSGEATOEQ-KZNAEPCWSA-N 2 2 304.478 3.432 20 0 DGADLP COC(=O)CC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CCC(C)(C)C ZINC001578804873 1191957962 /nfs/dbraw/zinc/95/79/62/1191957962.db2.gz JWWQEQHIGFGAOO-QGZVFWFLSA-N 2 2 320.477 3.205 20 0 DGADLP COC(=O)CC[N@H+](Cc1ccccc1)C[C@H]([NH3+])CCC(C)(C)C ZINC001578804873 1191957964 /nfs/dbraw/zinc/95/79/64/1191957964.db2.gz JWWQEQHIGFGAOO-QGZVFWFLSA-N 2 2 320.477 3.205 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3OCCc4ccccc43)cc2)c[nH+]1 ZINC001620789299 1191979638 /nfs/dbraw/zinc/97/96/38/1191979638.db2.gz QPTZKLLYRQLDBD-FQEVSTJZSA-N 2 2 319.408 3.276 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001579650226 1191984654 /nfs/dbraw/zinc/98/46/54/1191984654.db2.gz DIFYMKCFWLKIBJ-SFHVURJKSA-N 2 2 314.433 3.335 20 0 DGADLP Clc1nccc2oc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc21 ZINC001579939991 1192000182 /nfs/dbraw/zinc/00/01/82/1192000182.db2.gz JUEPGSUKKDVBPH-MRXNPFEDSA-N 2 2 305.809 3.057 20 0 DGADLP Clc1nccc2oc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc21 ZINC001579939991 1192000183 /nfs/dbraw/zinc/00/01/83/1192000183.db2.gz JUEPGSUKKDVBPH-MRXNPFEDSA-N 2 2 305.809 3.057 20 0 DGADLP [NH3+][C@@H](C[N@@H+]1CCC[C@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127590 1192008543 /nfs/dbraw/zinc/00/85/43/1192008543.db2.gz MOIRJLRWRBLBDK-CABCVRRESA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+][C@@H](C[N@H+]1CCC[C@H]1CCc1ccccc1)CC(F)(F)F ZINC001580127590 1192008545 /nfs/dbraw/zinc/00/85/45/1192008545.db2.gz MOIRJLRWRBLBDK-CABCVRRESA-N 2 2 300.368 3.363 20 0 DGADLP [NH3+]Cc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC001580336988 1192022444 /nfs/dbraw/zinc/02/24/44/1192022444.db2.gz APRLJGQMWFOTNP-UHFFFAOYSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+]Cc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC001580336988 1192022447 /nfs/dbraw/zinc/02/24/47/1192022447.db2.gz APRLJGQMWFOTNP-UHFFFAOYSA-N 2 2 306.413 3.071 20 0 DGADLP CCn1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001620810933 1192105660 /nfs/dbraw/zinc/10/56/60/1192105660.db2.gz GYNCPXFZZSBNON-PBHICJAKSA-N 2 2 318.490 3.137 20 0 DGADLP CCn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC001620810933 1192105661 /nfs/dbraw/zinc/10/56/61/1192105661.db2.gz GYNCPXFZZSBNON-PBHICJAKSA-N 2 2 318.490 3.137 20 0 DGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC001661634456 1196626051 /nfs/dbraw/zinc/62/60/51/1196626051.db2.gz NXGSOQKCCREESQ-SJLPKXTDSA-N 2 2 306.519 3.282 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC2 ZINC000378923555 1176750204 /nfs/dbraw/zinc/75/02/04/1176750204.db2.gz QSIHNZCFVQXXIC-QZTJIDSGSA-N 2 2 304.478 3.118 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)o1 ZINC000378958475 1176759225 /nfs/dbraw/zinc/75/92/25/1176759225.db2.gz WHPHOOKZQJAMIU-RYUDHWBXSA-N 2 2 315.255 3.443 20 0 DGADLP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691512123 1177046801 /nfs/dbraw/zinc/04/68/01/1177046801.db2.gz RFPJOMGTUCJMGC-CSMYWGQOSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)[nH+]c1C ZINC001330970787 1178102338 /nfs/dbraw/zinc/10/23/38/1178102338.db2.gz NFMGTACOYXQRGY-HNNXBMFYSA-N 2 2 312.417 3.022 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC001331288717 1178175521 /nfs/dbraw/zinc/17/55/21/1178175521.db2.gz HLFAMVUKMWSETC-HNNXBMFYSA-N 2 2 312.417 3.069 20 0 DGADLP Cc1cc(C)nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC001333007566 1178539615 /nfs/dbraw/zinc/53/96/15/1178539615.db2.gz ZIEBFBVKHSHNLY-UHFFFAOYSA-N 2 2 311.429 3.445 20 0 DGADLP COC1CCC(C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001334923947 1178828836 /nfs/dbraw/zinc/82/88/36/1178828836.db2.gz WJOZZFLJWXJJDX-UHFFFAOYSA-N 2 2 317.477 3.056 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083315 1179649803 /nfs/dbraw/zinc/64/98/03/1179649803.db2.gz GYAVKJAEKXWNFO-CRAIPNDOSA-N 2 2 314.408 3.344 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083315 1179649806 /nfs/dbraw/zinc/64/98/06/1179649806.db2.gz GYAVKJAEKXWNFO-CRAIPNDOSA-N 2 2 314.408 3.344 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1sc(N2CCCCC2)nc1C ZINC001347234525 1179786220 /nfs/dbraw/zinc/78/62/20/1179786220.db2.gz LIUCTTKIYKTRMQ-UHFFFAOYSA-N 2 2 324.538 3.215 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1sc(N2CCCCC2)nc1C ZINC001347234525 1179786222 /nfs/dbraw/zinc/78/62/22/1179786222.db2.gz LIUCTTKIYKTRMQ-UHFFFAOYSA-N 2 2 324.538 3.215 20 0 DGADLP [NH3+][C@H](c1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298288 1179889825 /nfs/dbraw/zinc/88/98/25/1179889825.db2.gz CUYUKVGXLOMOIB-HOTGVXAUSA-N 2 2 312.417 3.197 20 0 DGADLP [NH3+][C@H](c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298288 1179889833 /nfs/dbraw/zinc/88/98/33/1179889833.db2.gz CUYUKVGXLOMOIB-HOTGVXAUSA-N 2 2 312.417 3.197 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298291 1179889936 /nfs/dbraw/zinc/88/99/36/1179889936.db2.gz CUYUKVGXLOMOIB-JKSUJKDBSA-N 2 2 312.417 3.197 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298291 1179889948 /nfs/dbraw/zinc/88/99/48/1179889948.db2.gz CUYUKVGXLOMOIB-JKSUJKDBSA-N 2 2 312.417 3.197 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)[nH+]c1C ZINC001353146684 1180474650 /nfs/dbraw/zinc/47/46/50/1180474650.db2.gz PQDYGQPWNDYKGQ-SHTZXODSSA-N 2 2 312.417 3.150 20 0 DGADLP Cc1[nH]c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c(C)[nH+]1 ZINC001354585699 1180845018 /nfs/dbraw/zinc/84/50/18/1180845018.db2.gz WYFCAMLHVVIPSJ-LJQANCHMSA-N 2 2 312.461 3.343 20 0 DGADLP CCC[N@H+](C)CC(C)(C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001472838139 1180902294 /nfs/dbraw/zinc/90/22/94/1180902294.db2.gz JSNFHARPBAWPEB-UHFFFAOYSA-N 2 2 311.433 3.415 20 0 DGADLP CCC[N@@H+](C)CC(C)(C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001472838139 1180902297 /nfs/dbraw/zinc/90/22/97/1180902297.db2.gz JSNFHARPBAWPEB-UHFFFAOYSA-N 2 2 311.433 3.415 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C ZINC001354978005 1180949905 /nfs/dbraw/zinc/94/99/05/1180949905.db2.gz IVZLDBCPGNWXAH-UQOMUDLDSA-N 2 2 310.401 3.196 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2nccn3c[nH+]cc23)CC1 ZINC001355239327 1181017925 /nfs/dbraw/zinc/01/79/25/1181017925.db2.gz SIPVLVWYCRJHLT-OAHLLOKOSA-N 2 2 321.428 3.367 20 0 DGADLP C[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCC1 ZINC001458114047 1182497517 /nfs/dbraw/zinc/49/75/17/1182497517.db2.gz SBTVISDUSJZWEL-AWEZNQCLSA-N 2 2 309.417 3.026 20 0 DGADLP Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(C2CCC2)[nH+]1 ZINC001458204812 1182504996 /nfs/dbraw/zinc/50/49/96/1182504996.db2.gz BLPQNSHEOAEVDB-MRXNPFEDSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(C2CCC2)[nH+]1 ZINC001458204812 1182504999 /nfs/dbraw/zinc/50/49/99/1182504999.db2.gz BLPQNSHEOAEVDB-MRXNPFEDSA-N 2 2 302.466 3.363 20 0 DGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC(C)(C)C1 ZINC001460214356 1182663829 /nfs/dbraw/zinc/66/38/29/1182663829.db2.gz NPJSXRAAZFXITP-UHFFFAOYSA-N 2 2 315.505 3.319 20 0 DGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC(C)(C)C1 ZINC001460214356 1182663833 /nfs/dbraw/zinc/66/38/33/1182663833.db2.gz NPJSXRAAZFXITP-UHFFFAOYSA-N 2 2 315.505 3.319 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)CC1 ZINC001460624399 1182700337 /nfs/dbraw/zinc/70/03/37/1182700337.db2.gz BSWJUCTVEMZQDK-FQEVSTJZSA-N 3 2 321.553 3.449 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)CC1 ZINC001460624399 1182700340 /nfs/dbraw/zinc/70/03/40/1182700340.db2.gz BSWJUCTVEMZQDK-FQEVSTJZSA-N 3 2 321.553 3.449 20 0 DGADLP Cc1nccnc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460971191 1182748994 /nfs/dbraw/zinc/74/89/94/1182748994.db2.gz HFBDPVHWJJWVKJ-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1nccnc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001460971191 1182748999 /nfs/dbraw/zinc/74/89/99/1182748999.db2.gz HFBDPVHWJJWVKJ-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+]CCCCn1cc[nH+]c1 ZINC001461092279 1182766732 /nfs/dbraw/zinc/76/67/32/1182766732.db2.gz RALAZWWGXCJBGA-UHFFFAOYSA-N 2 2 316.430 3.478 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnsc2)CC1 ZINC001461205355 1182782312 /nfs/dbraw/zinc/78/23/12/1182782312.db2.gz SUOCULVQRHWMRZ-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1C ZINC001461234993 1182783979 /nfs/dbraw/zinc/78/39/79/1182783979.db2.gz UZXYULQZCUVXDF-GJYPPUQNSA-N 2 2 300.490 3.500 20 0 DGADLP Cc1ccccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001461356258 1182798978 /nfs/dbraw/zinc/79/89/78/1182798978.db2.gz OXXZXKVFDOGVIR-GOSISDBHSA-N 2 2 310.445 3.142 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c(C)c1 ZINC001461520677 1182822580 /nfs/dbraw/zinc/82/25/80/1182822580.db2.gz KZFNCZRFQVBUBA-AMGQUURNSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c(C)c1 ZINC001461520677 1182822587 /nfs/dbraw/zinc/82/25/87/1182822587.db2.gz KZFNCZRFQVBUBA-AMGQUURNSA-N 2 2 316.489 3.061 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1COc2ccccc2C1 ZINC001462489434 1182960872 /nfs/dbraw/zinc/96/08/72/1182960872.db2.gz ZMKXPVVDGQNGTK-WDYCEAGBSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1COc2ccccc2C1 ZINC001462489434 1182960873 /nfs/dbraw/zinc/96/08/73/1182960873.db2.gz ZMKXPVVDGQNGTK-WDYCEAGBSA-N 2 2 314.473 3.233 20 0 DGADLP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c2c(n1)CCCC2 ZINC001462637179 1182978155 /nfs/dbraw/zinc/97/81/55/1182978155.db2.gz ICKJZDLNVKOHFX-UHFFFAOYSA-N 2 2 303.494 3.288 20 0 DGADLP Cc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c2c(n1)CCCC2 ZINC001462637179 1182978162 /nfs/dbraw/zinc/97/81/62/1182978162.db2.gz ICKJZDLNVKOHFX-UHFFFAOYSA-N 2 2 303.494 3.288 20 0 DGADLP C[N@H+](Cc1cncc(-c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC000035824422 1193193011 /nfs/dbraw/zinc/19/30/11/1193193011.db2.gz MNDJSWZGGXZUSV-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP C[N@@H+](Cc1cncc(-c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC000035824422 1193193013 /nfs/dbraw/zinc/19/30/13/1193193013.db2.gz MNDJSWZGGXZUSV-UHFFFAOYSA-N 2 2 313.420 3.414 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1sc(N(C)C)nc1Cl ZINC001462676236 1182984203 /nfs/dbraw/zinc/98/42/03/1182984203.db2.gz XOBNVFSYPLDCIU-NSHDSACASA-N 2 2 318.918 3.073 20 0 DGADLP CC(C)COC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001473221271 1183731444 /nfs/dbraw/zinc/73/14/44/1183731444.db2.gz BSHOUPOLTKPAGI-KRWDZBQOSA-N 2 2 324.509 3.162 20 0 DGADLP CC(C)COC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001473221271 1183731448 /nfs/dbraw/zinc/73/14/48/1183731448.db2.gz BSHOUPOLTKPAGI-KRWDZBQOSA-N 2 2 324.509 3.162 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3([C@@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245962 1183735232 /nfs/dbraw/zinc/73/52/32/1183735232.db2.gz ZEULANDMKCYLNQ-HOTGVXAUSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3([C@@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245962 1183735235 /nfs/dbraw/zinc/73/52/35/1183735235.db2.gz ZEULANDMKCYLNQ-HOTGVXAUSA-N 2 2 303.450 3.329 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001473292926 1183741322 /nfs/dbraw/zinc/74/13/22/1183741322.db2.gz DIUOHDYVYZECGP-CVEARBPZSA-N 2 2 303.356 3.268 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001473292926 1183741328 /nfs/dbraw/zinc/74/13/28/1183741328.db2.gz DIUOHDYVYZECGP-CVEARBPZSA-N 2 2 303.356 3.268 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC001473348946 1183746527 /nfs/dbraw/zinc/74/65/27/1183746527.db2.gz JKAVFGKMCBYUDI-UHFFFAOYSA-N 2 2 303.494 3.157 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001473789114 1183802818 /nfs/dbraw/zinc/80/28/18/1183802818.db2.gz YUGHGGZMISFJSB-NZSAHSFTSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001473789114 1183802827 /nfs/dbraw/zinc/80/28/27/1183802827.db2.gz YUGHGGZMISFJSB-NZSAHSFTSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001473789114 1183802830 /nfs/dbraw/zinc/80/28/30/1183802830.db2.gz YUGHGGZMISFJSB-NZSAHSFTSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001473789114 1183802834 /nfs/dbraw/zinc/80/28/34/1183802834.db2.gz YUGHGGZMISFJSB-NZSAHSFTSA-N 2 2 302.462 3.008 20 0 DGADLP COC/C(C)=C/C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898189 1183822736 /nfs/dbraw/zinc/82/27/36/1183822736.db2.gz UTKZRJCQIYHINK-WPBGYSLVSA-N 2 2 305.466 3.410 20 0 DGADLP COC/C(C)=C/C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898189 1183822738 /nfs/dbraw/zinc/82/27/38/1183822738.db2.gz UTKZRJCQIYHINK-WPBGYSLVSA-N 2 2 305.466 3.410 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001473909686 1183826254 /nfs/dbraw/zinc/82/62/54/1183826254.db2.gz VXMUSIXGYOHRPP-IBGZPJMESA-N 2 2 318.505 3.431 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001473909686 1183826260 /nfs/dbraw/zinc/82/62/60/1183826260.db2.gz VXMUSIXGYOHRPP-IBGZPJMESA-N 2 2 318.505 3.431 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cc3cccnc3o2)c[nH+]1 ZINC001473959001 1183838814 /nfs/dbraw/zinc/83/88/14/1183838814.db2.gz QWRWYKDSLMOMKZ-UHFFFAOYSA-N 2 2 304.353 3.303 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC001474076359 1183862768 /nfs/dbraw/zinc/86/27/68/1183862768.db2.gz HSMSDBIEDAPXDG-LJQANCHMSA-N 2 2 324.472 3.451 20 0 DGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]C[C@@H]1CC=CCC1 ZINC001474180770 1183878524 /nfs/dbraw/zinc/87/85/24/1183878524.db2.gz QYIHYDACZZBDNI-OAHLLOKOSA-N 2 2 304.434 3.404 20 0 DGADLP C[C@H](O)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001474222641 1183885504 /nfs/dbraw/zinc/88/55/04/1183885504.db2.gz WAEYFHGXIFUOHM-KXBFYZLASA-N 2 2 307.397 3.084 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321106 1183903722 /nfs/dbraw/zinc/90/37/22/1183903722.db2.gz YFHOWBZYCBZONL-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321106 1183903723 /nfs/dbraw/zinc/90/37/23/1183903723.db2.gz YFHOWBZYCBZONL-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321106 1183903725 /nfs/dbraw/zinc/90/37/25/1183903725.db2.gz YFHOWBZYCBZONL-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)ccnc3Cl)CC[C@@H]21 ZINC001474321106 1183903726 /nfs/dbraw/zinc/90/37/26/1183903726.db2.gz YFHOWBZYCBZONL-FZMZJTMJSA-N 2 2 314.260 3.305 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317503 1183904153 /nfs/dbraw/zinc/90/41/53/1183904153.db2.gz HQSSSZDARQDVJP-SWLSCSKDSA-N 2 2 320.506 3.175 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317503 1183904158 /nfs/dbraw/zinc/90/41/58/1183904158.db2.gz HQSSSZDARQDVJP-SWLSCSKDSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317503 1183904162 /nfs/dbraw/zinc/90/41/62/1183904162.db2.gz HQSSSZDARQDVJP-SWLSCSKDSA-N 2 2 320.506 3.175 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nc3scc(C)n23)[C@@H](C)C1 ZINC001474317503 1183904166 /nfs/dbraw/zinc/90/41/66/1183904166.db2.gz HQSSSZDARQDVJP-SWLSCSKDSA-N 2 2 320.506 3.175 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC001474427804 1183920734 /nfs/dbraw/zinc/92/07/34/1183920734.db2.gz MBUBEOPPZMXYND-INIZCTEOSA-N 2 2 324.509 3.353 20 0 DGADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001474510458 1183933084 /nfs/dbraw/zinc/93/30/84/1183933084.db2.gz ISOCLMNHNYTCNO-SWLSCSKDSA-N 2 2 313.283 3.310 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(F)c1 ZINC001474647903 1183956072 /nfs/dbraw/zinc/95/60/72/1183956072.db2.gz WLXLEXJRNNQZSN-RDTXWAMCSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(F)c1 ZINC001474647903 1183956075 /nfs/dbraw/zinc/95/60/75/1183956075.db2.gz WLXLEXJRNNQZSN-RDTXWAMCSA-N 2 2 308.441 3.387 20 0 DGADLP CCC(CC)C[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001492991644 1184631564 /nfs/dbraw/zinc/63/15/64/1184631564.db2.gz ZDUVTWWRYCDMHI-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CCC(CC)C[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001492991644 1184631568 /nfs/dbraw/zinc/63/15/68/1184631568.db2.gz ZDUVTWWRYCDMHI-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001495371986 1185039929 /nfs/dbraw/zinc/03/99/29/1185039929.db2.gz OFSVXZIHIULFIK-KRWDZBQOSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1nc(NC2CCN(c3cc[nH+]cc3)CC2)c2c([nH+]1)CCCC2 ZINC001516492967 1186785234 /nfs/dbraw/zinc/78/52/34/1186785234.db2.gz NPIMDUJDPNKHCT-UHFFFAOYSA-N 2 2 323.444 3.140 20 0 DGADLP CCc1cc(N2CCC(CCC[NH+](C)C)CC2)nc(CC)[nH+]1 ZINC001612142643 1193447775 /nfs/dbraw/zinc/44/77/75/1193447775.db2.gz ZWWCFABWXODOHZ-UHFFFAOYSA-N 2 2 304.482 3.160 20 0 DGADLP CCc1nc(N(CC(C)C)CC2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001612798986 1193461268 /nfs/dbraw/zinc/46/12/68/1193461268.db2.gz CCWIYVUVUQGMHN-UHFFFAOYSA-N 2 2 304.482 3.152 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3[NH2+]CC34CCCC4)cc2)[nH+]c1C ZINC001522462603 1187083383 /nfs/dbraw/zinc/08/33/83/1187083383.db2.gz WMTYNQUWHDDIEO-MRXNPFEDSA-N 2 2 324.428 3.164 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1)[NH+](CC)CC ZINC001614883797 1193514356 /nfs/dbraw/zinc/51/43/56/1193514356.db2.gz IAPXNZYOGSBZLH-INIZCTEOSA-N 2 2 314.433 3.240 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@H]1c1ccccc1 ZINC001549547024 1188525876 /nfs/dbraw/zinc/52/58/76/1188525876.db2.gz PRUIALGKAYNFHX-IPMKNSEASA-N 2 2 314.473 3.022 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001549586598 1188528991 /nfs/dbraw/zinc/52/89/91/1188528991.db2.gz RNZJIWDRVQHLNI-ZDUSSCGKSA-N 2 2 324.350 3.214 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001549586598 1188528992 /nfs/dbraw/zinc/52/89/92/1188528992.db2.gz RNZJIWDRVQHLNI-ZDUSSCGKSA-N 2 2 324.350 3.214 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccn3nccc23)CC1 ZINC001550125745 1188583432 /nfs/dbraw/zinc/58/34/32/1188583432.db2.gz KMGNQZWXEUYDDN-UHFFFAOYSA-N 2 2 312.461 3.175 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2)[nH+]c1C ZINC001550218063 1188595148 /nfs/dbraw/zinc/59/51/48/1188595148.db2.gz JUBPUBBOQOIQFT-CZUORRHYSA-N 2 2 312.417 3.020 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)cn1 ZINC001550621382 1188632106 /nfs/dbraw/zinc/63/21/06/1188632106.db2.gz UWCUDEOLIWZJAT-KRWDZBQOSA-N 2 2 312.461 3.393 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)cn1 ZINC001550621382 1188632109 /nfs/dbraw/zinc/63/21/09/1188632109.db2.gz UWCUDEOLIWZJAT-KRWDZBQOSA-N 2 2 312.461 3.393 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC001553762165 1188950623 /nfs/dbraw/zinc/95/06/23/1188950623.db2.gz QFPVVZFCNASMKE-AWEZNQCLSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC001553762165 1188950626 /nfs/dbraw/zinc/95/06/26/1188950626.db2.gz QFPVVZFCNASMKE-AWEZNQCLSA-N 2 2 312.442 3.409 20 0 DGADLP c1cc2c(nc[nH+]c2N[C@@H](Cn2cc[nH+]c2)c2ccccc2)[nH]1 ZINC001559265475 1189188702 /nfs/dbraw/zinc/18/87/02/1189188702.db2.gz QELXEGVKBRBHKZ-HNNXBMFYSA-N 2 2 304.357 3.008 20 0 DGADLP c1cc2c(nc[nH+]c2N[C@H](Cn2cc[nH+]c2)c2ccccc2)[nH]1 ZINC001559265476 1189188910 /nfs/dbraw/zinc/18/89/10/1189188910.db2.gz QELXEGVKBRBHKZ-OAHLLOKOSA-N 2 2 304.357 3.008 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC1(C)C ZINC001559921787 1189256558 /nfs/dbraw/zinc/25/65/58/1189256558.db2.gz SBEZLWSPLRQZDJ-RBUKOAKNSA-N 2 2 316.489 3.433 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC1(C)C ZINC001559921788 1189256800 /nfs/dbraw/zinc/25/68/00/1189256800.db2.gz SBEZLWSPLRQZDJ-RTBURBONSA-N 2 2 316.489 3.433 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC1(C)C ZINC001559921786 1189256805 /nfs/dbraw/zinc/25/68/05/1189256805.db2.gz SBEZLWSPLRQZDJ-OALUTQOASA-N 2 2 316.489 3.433 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001560155142 1189285395 /nfs/dbraw/zinc/28/53/95/1189285395.db2.gz CFHWRGFIJBKKGR-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001560155142 1189285398 /nfs/dbraw/zinc/28/53/98/1189285398.db2.gz CFHWRGFIJBKKGR-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC001560234967 1189295480 /nfs/dbraw/zinc/29/54/80/1189295480.db2.gz VMRAFEZZYIBWEX-MRXNPFEDSA-N 2 2 307.482 3.370 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC001560234967 1189295488 /nfs/dbraw/zinc/29/54/88/1189295488.db2.gz VMRAFEZZYIBWEX-MRXNPFEDSA-N 2 2 307.482 3.370 20 0 DGADLP Clc1cc2c(c(C[NH2+]CCC[NH+]3CCCCC3)c1)OCC2 ZINC001560252480 1189299208 /nfs/dbraw/zinc/29/92/08/1189299208.db2.gz XSYHWNAVPZQWCV-UHFFFAOYSA-N 2 2 308.853 3.241 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC001560321160 1189310744 /nfs/dbraw/zinc/31/07/44/1189310744.db2.gz DCGQDUIMRASREF-ZSKSOVMSSA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC001560321160 1189310748 /nfs/dbraw/zinc/31/07/48/1189310748.db2.gz DCGQDUIMRASREF-ZSKSOVMSSA-N 2 2 314.473 3.078 20 0 DGADLP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001560358600 1189317170 /nfs/dbraw/zinc/31/71/70/1189317170.db2.gz QGAKXRYVIUHNOU-HKUYNNGSSA-N 2 2 313.445 3.413 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560627540 1189351035 /nfs/dbraw/zinc/35/10/35/1189351035.db2.gz DMGSQVDBLRVMTM-OAHLLOKOSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560627540 1189351041 /nfs/dbraw/zinc/35/10/41/1189351041.db2.gz DMGSQVDBLRVMTM-OAHLLOKOSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001560627540 1189351045 /nfs/dbraw/zinc/35/10/45/1189351045.db2.gz DMGSQVDBLRVMTM-OAHLLOKOSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001560627540 1189351050 /nfs/dbraw/zinc/35/10/50/1189351050.db2.gz DMGSQVDBLRVMTM-OAHLLOKOSA-N 2 2 303.475 3.460 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001560624123 1189351471 /nfs/dbraw/zinc/35/14/71/1189351471.db2.gz CCCRJCSXMGDXQK-GFCCVEGCSA-N 2 2 314.376 3.218 20 0 DGADLP CC(C)[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC001560637840 1189352344 /nfs/dbraw/zinc/35/23/44/1189352344.db2.gz RCWZBJLTBNQIKM-GOSISDBHSA-N 2 2 312.461 3.242 20 0 DGADLP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC001560637840 1189352350 /nfs/dbraw/zinc/35/23/50/1189352350.db2.gz RCWZBJLTBNQIKM-GOSISDBHSA-N 2 2 312.461 3.242 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@]1(C)CCCCO1)C1CC1 ZINC001560776791 1189379914 /nfs/dbraw/zinc/37/99/14/1189379914.db2.gz ABIVZTWLGLQWGG-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@]1(C)CCCCO1)C1CC1 ZINC001560776791 1189379919 /nfs/dbraw/zinc/37/99/19/1189379919.db2.gz ABIVZTWLGLQWGG-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C2 ZINC001560806638 1189384839 /nfs/dbraw/zinc/38/48/39/1189384839.db2.gz XRXWBNXFLQYWCR-APWZRJJASA-N 2 2 316.489 3.263 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C2 ZINC001560806638 1189384849 /nfs/dbraw/zinc/38/48/49/1189384849.db2.gz XRXWBNXFLQYWCR-APWZRJJASA-N 2 2 316.489 3.263 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884233 1189399452 /nfs/dbraw/zinc/39/94/52/1189399452.db2.gz RCXUYAIERJTTRK-PBHICJAKSA-N 2 2 317.452 3.322 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884233 1189399457 /nfs/dbraw/zinc/39/94/57/1189399457.db2.gz RCXUYAIERJTTRK-PBHICJAKSA-N 2 2 317.452 3.322 20 0 DGADLP Cc1cc(C)cc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001560906771 1189403468 /nfs/dbraw/zinc/40/34/68/1189403468.db2.gz SXGCENXKIAGULJ-HXUWFJFHSA-N 2 2 316.489 3.033 20 0 DGADLP Cc1cc(C)cc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001560906771 1189403469 /nfs/dbraw/zinc/40/34/69/1189403469.db2.gz SXGCENXKIAGULJ-HXUWFJFHSA-N 2 2 316.489 3.033 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001560954539 1189410408 /nfs/dbraw/zinc/41/04/08/1189410408.db2.gz SYJNXPAEXIFZHS-DKIMLUQUSA-N 2 2 304.503 3.381 20 0 DGADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001560954539 1189410410 /nfs/dbraw/zinc/41/04/10/1189410410.db2.gz SYJNXPAEXIFZHS-DKIMLUQUSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@@H](CSCCF)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001560973046 1189413432 /nfs/dbraw/zinc/41/34/32/1189413432.db2.gz HPIVLVUXSNKCMF-HOCLYGCPSA-N 2 2 302.503 3.464 20 0 DGADLP C[C@@H](CSCCF)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001560973046 1189413434 /nfs/dbraw/zinc/41/34/34/1189413434.db2.gz HPIVLVUXSNKCMF-HOCLYGCPSA-N 2 2 302.503 3.464 20 0 DGADLP COC1(C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)CCCCCC1 ZINC001561016278 1189421553 /nfs/dbraw/zinc/42/15/53/1189421553.db2.gz SJLCTZOCOIYRMR-GOSISDBHSA-N 2 2 319.493 3.403 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CC2CCCCC2)c(C)[nH+]1 ZINC001567294096 1190115672 /nfs/dbraw/zinc/11/56/72/1190115672.db2.gz JVUJOBSBCAAJNU-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CC2CCCCC2)c(C)[nH+]1 ZINC001567294096 1190115679 /nfs/dbraw/zinc/11/56/79/1190115679.db2.gz JVUJOBSBCAAJNU-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC(C)C ZINC001567963991 1190378520 /nfs/dbraw/zinc/37/85/20/1190378520.db2.gz AOFGQBGDLSSWFW-OAHLLOKOSA-N 2 2 316.449 3.097 20 0 DGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC(C)C ZINC001567963990 1190378963 /nfs/dbraw/zinc/37/89/63/1190378963.db2.gz AOFGQBGDLSSWFW-HNNXBMFYSA-N 2 2 316.449 3.097 20 0 DGADLP CCCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001570622378 1190903757 /nfs/dbraw/zinc/90/37/57/1190903757.db2.gz WSTFAPDVZVVZLX-GJZGRUSLSA-N 2 2 316.449 3.011 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001574448082 1191444691 /nfs/dbraw/zinc/44/46/91/1191444691.db2.gz LGRRGBQLXBMQMX-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001574448082 1191444694 /nfs/dbraw/zinc/44/46/94/1191444694.db2.gz LGRRGBQLXBMQMX-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001575130247 1191467595 /nfs/dbraw/zinc/46/75/95/1191467595.db2.gz HRUUALFANLGBPB-HNNXBMFYSA-N 2 2 301.434 3.184 20 0 DGADLP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC001575241142 1191469766 /nfs/dbraw/zinc/46/97/66/1191469766.db2.gz GNZBGSYETPBFNT-CQSZACIVSA-N 2 2 324.490 3.311 20 0 DGADLP CC(C)c1nc(C[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccccn21 ZINC001575870773 1191514109 /nfs/dbraw/zinc/51/41/09/1191514109.db2.gz RMBWAYFUSZFEHG-UHFFFAOYSA-N 2 2 320.440 3.351 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCOCC(F)(F)F)CC1 ZINC001620498009 1193772865 /nfs/dbraw/zinc/77/28/65/1193772865.db2.gz CGHHCHHXEGPRFZ-HNNXBMFYSA-N 2 2 322.415 3.152 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCOCC(F)(F)F)CC1 ZINC001620498009 1193772868 /nfs/dbraw/zinc/77/28/68/1193772868.db2.gz CGHHCHHXEGPRFZ-HNNXBMFYSA-N 2 2 322.415 3.152 20 0 DGADLP CCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC001620744798 1193797534 /nfs/dbraw/zinc/79/75/34/1193797534.db2.gz XOYBQPXZQCDUEV-UHFFFAOYSA-N 2 2 317.408 3.308 20 0 DGADLP C[C@@H]1CC[C@@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC001621261441 1193824467 /nfs/dbraw/zinc/82/44/67/1193824467.db2.gz UBKUOFGKRGSNKS-IEBWSBKVSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1CC[C@@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC001621261441 1193824469 /nfs/dbraw/zinc/82/44/69/1193824469.db2.gz UBKUOFGKRGSNKS-IEBWSBKVSA-N 2 2 315.505 3.113 20 0 DGADLP COC1(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCC1 ZINC001621274881 1193826600 /nfs/dbraw/zinc/82/66/00/1193826600.db2.gz RIOHAVSFMNJIPW-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCC1 ZINC001621274881 1193826606 /nfs/dbraw/zinc/82/66/06/1193826606.db2.gz RIOHAVSFMNJIPW-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCC1 ZINC001621347354 1193830989 /nfs/dbraw/zinc/83/09/89/1193830989.db2.gz YKMJILILQSFNIF-UHFFFAOYSA-N 2 2 302.462 3.200 20 0 DGADLP COC1(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCC1 ZINC001621347354 1193830990 /nfs/dbraw/zinc/83/09/90/1193830990.db2.gz YKMJILILQSFNIF-UHFFFAOYSA-N 2 2 302.462 3.200 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C12CCC2 ZINC001621484704 1193848627 /nfs/dbraw/zinc/84/86/27/1193848627.db2.gz QUTSGTBFKHFZIV-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C12CCC2 ZINC001621484704 1193848629 /nfs/dbraw/zinc/84/86/29/1193848629.db2.gz QUTSGTBFKHFZIV-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001621552720 1193857502 /nfs/dbraw/zinc/85/75/02/1193857502.db2.gz SASJWFVEAPNNHW-DOTOQJQBSA-N 2 2 317.477 3.040 20 0 DGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001621552720 1193857507 /nfs/dbraw/zinc/85/75/07/1193857507.db2.gz SASJWFVEAPNNHW-DOTOQJQBSA-N 2 2 317.477 3.040 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(C)c2C)cn1 ZINC000048782329 1194490505 /nfs/dbraw/zinc/49/05/05/1194490505.db2.gz CUYDIIZJLATGDN-UHFFFAOYSA-N 2 2 306.413 3.482 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1F ZINC001642563622 1194919226 /nfs/dbraw/zinc/91/92/26/1194919226.db2.gz GJVOLCKZKHRRDM-CQSZACIVSA-N 2 2 319.399 3.461 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1F ZINC001642563622 1194919227 /nfs/dbraw/zinc/91/92/27/1194919227.db2.gz GJVOLCKZKHRRDM-CQSZACIVSA-N 2 2 319.399 3.461 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC001644551431 1195116222 /nfs/dbraw/zinc/11/62/22/1195116222.db2.gz IJHTURPVTFAJLI-QGZVFWFLSA-N 2 2 322.493 3.013 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001645002122 1195148838 /nfs/dbraw/zinc/14/88/38/1195148838.db2.gz XOURVDAIMRANRQ-UHFFFAOYSA-N 2 2 312.461 3.040 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C1CCCC1 ZINC001648327963 1195292365 /nfs/dbraw/zinc/29/23/65/1195292365.db2.gz RBFUSNGIBGNPNZ-QGZVFWFLSA-N 2 2 324.472 3.321 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C1CCCC1 ZINC001648327963 1195292368 /nfs/dbraw/zinc/29/23/68/1195292368.db2.gz RBFUSNGIBGNPNZ-QGZVFWFLSA-N 2 2 324.472 3.321 20 0 DGADLP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C1CCCC1 ZINC001648327962 1195292846 /nfs/dbraw/zinc/29/28/46/1195292846.db2.gz RBFUSNGIBGNPNZ-KRWDZBQOSA-N 2 2 324.472 3.321 20 0 DGADLP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C1CCCC1 ZINC001648327962 1195292850 /nfs/dbraw/zinc/29/28/50/1195292850.db2.gz RBFUSNGIBGNPNZ-KRWDZBQOSA-N 2 2 324.472 3.321 20 0 DGADLP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001648478771 1195303708 /nfs/dbraw/zinc/30/37/08/1195303708.db2.gz WSKPMTNDVJAICJ-MJGOQNOKSA-N 2 2 302.462 3.202 20 0 DGADLP COc1ccc(C(C)C)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001648478771 1195303714 /nfs/dbraw/zinc/30/37/14/1195303714.db2.gz WSKPMTNDVJAICJ-MJGOQNOKSA-N 2 2 302.462 3.202 20 0 DGADLP COc1ccc(C(C)C)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001648478771 1195303719 /nfs/dbraw/zinc/30/37/19/1195303719.db2.gz WSKPMTNDVJAICJ-MJGOQNOKSA-N 2 2 302.462 3.202 20 0 DGADLP COc1ccc(C(C)C)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001648478771 1195303722 /nfs/dbraw/zinc/30/37/22/1195303722.db2.gz WSKPMTNDVJAICJ-MJGOQNOKSA-N 2 2 302.462 3.202 20 0 DGADLP C[NH+](C)C1(CNc2nc3ccccc3n3c[nH+]cc23)CCCC1 ZINC001650370909 1195361753 /nfs/dbraw/zinc/36/17/53/1195361753.db2.gz HRBHKCXPZYEWAF-UHFFFAOYSA-N 2 2 309.417 3.169 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC001653208282 1195698512 /nfs/dbraw/zinc/69/85/12/1195698512.db2.gz KYSHKZIUCDBNRX-POAQFYNOSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccn2)CC[N@H+]1C ZINC001653208282 1195698516 /nfs/dbraw/zinc/69/85/16/1195698516.db2.gz KYSHKZIUCDBNRX-POAQFYNOSA-N 2 2 309.457 3.438 20 0 DGADLP CN1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C(C)(C)C1 ZINC001653796991 1195751042 /nfs/dbraw/zinc/75/10/42/1195751042.db2.gz WEBCEKZNRPZMEQ-UHFFFAOYSA-N 2 2 315.505 3.199 20 0 DGADLP Clc1cccc(CCCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001654337512 1195794350 /nfs/dbraw/zinc/79/43/50/1195794350.db2.gz ZNYIDZDGBHBQIY-UHFFFAOYSA-N 2 2 318.852 3.208 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)nc(C)n1 ZINC001654515829 1195812587 /nfs/dbraw/zinc/81/25/87/1195812587.db2.gz WYBPVZBNECRYIS-LJQANCHMSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)nc(C)n1 ZINC001654515829 1195812591 /nfs/dbraw/zinc/81/25/91/1195812591.db2.gz WYBPVZBNECRYIS-LJQANCHMSA-N 2 2 316.493 3.180 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130694 1195880157 /nfs/dbraw/zinc/88/01/57/1195880157.db2.gz LAHHQXJLWHKPKF-IRXDYDNUSA-N 3 2 318.509 3.302 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130694 1195880172 /nfs/dbraw/zinc/88/01/72/1195880172.db2.gz LAHHQXJLWHKPKF-IRXDYDNUSA-N 3 2 318.509 3.302 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001655185155 1195887945 /nfs/dbraw/zinc/88/79/45/1195887945.db2.gz QCLKDBZHBBEIRE-UHFFFAOYSA-N 2 2 322.522 3.016 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCOC1CC1)C2 ZINC001655339007 1195905500 /nfs/dbraw/zinc/90/55/00/1195905500.db2.gz WOSHYGWIHWDKQR-BGYRXZFFSA-N 2 2 314.473 3.009 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCOC1CC1)C2 ZINC001655339007 1195905503 /nfs/dbraw/zinc/90/55/03/1195905503.db2.gz WOSHYGWIHWDKQR-BGYRXZFFSA-N 2 2 314.473 3.009 20 0 DGADLP C[C@@]12C[NH+](CCOC3CC3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001655339007 1195905510 /nfs/dbraw/zinc/90/55/10/1195905510.db2.gz WOSHYGWIHWDKQR-BGYRXZFFSA-N 2 2 314.473 3.009 20 0 DGADLP C[C@@]12C[NH+](CCOC3CC3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001655339007 1195905513 /nfs/dbraw/zinc/90/55/13/1195905513.db2.gz WOSHYGWIHWDKQR-BGYRXZFFSA-N 2 2 314.473 3.009 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C2 ZINC001655574309 1195934436 /nfs/dbraw/zinc/93/44/36/1195934436.db2.gz JXTRRWXJGHATBM-ZBFHGGJFSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C2 ZINC001655574309 1195934439 /nfs/dbraw/zinc/93/44/39/1195934439.db2.gz JXTRRWXJGHATBM-ZBFHGGJFSA-N 2 2 302.462 3.015 20 0 DGADLP CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC001656031749 1195989430 /nfs/dbraw/zinc/98/94/30/1195989430.db2.gz YRCSVLQZKLJHFY-LBPRGKRZSA-N 2 2 323.824 3.122 20 0 DGADLP CCC(C)(C)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001656296485 1196027972 /nfs/dbraw/zinc/02/79/72/1196027972.db2.gz MCJMAXZNRRKCEW-ABHNRTSZSA-N 2 2 310.526 3.418 20 0 DGADLP CCC(C)(C)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001656296485 1196027969 /nfs/dbraw/zinc/02/79/69/1196027969.db2.gz MCJMAXZNRRKCEW-ABHNRTSZSA-N 2 2 310.526 3.418 20 0 DGADLP Cc1cccc2cc(C[NH2+]C[C@H](C)C[NH+](C)C)c(Cl)nc12 ZINC001656324791 1196030137 /nfs/dbraw/zinc/03/01/37/1196030137.db2.gz XNTXRSJCUUNWKN-LBPRGKRZSA-N 2 2 305.853 3.484 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001656673123 1196060609 /nfs/dbraw/zinc/06/06/09/1196060609.db2.gz WPTNATVUXINUQM-UHFFFAOYSA-N 3 2 324.472 3.033 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4c(c3)COC4)cc2)c[nH+]1 ZINC001656754243 1196069070 /nfs/dbraw/zinc/06/90/70/1196069070.db2.gz KPMXCKTVFUXJNE-UHFFFAOYSA-N 2 2 305.381 3.192 20 0 DGADLP COc1ccsc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001656844789 1196075562 /nfs/dbraw/zinc/07/55/62/1196075562.db2.gz MGBPWEBYSGOGGJ-HNNXBMFYSA-N 2 2 313.426 3.484 20 0 DGADLP Cc1cc(NCc2c[nH+]ccc2N(C)C)ccc1-n1cc[nH+]c1 ZINC001656865952 1196076583 /nfs/dbraw/zinc/07/65/83/1196076583.db2.gz RGELLJOOGOULDN-UHFFFAOYSA-N 2 2 307.401 3.254 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000072786081 1196117219 /nfs/dbraw/zinc/11/72/19/1196117219.db2.gz OWPSYADMDXGBSJ-UHFFFAOYSA-N 3 2 315.505 3.117 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]Cc2csc3ccccc23)CCSC1 ZINC001657346884 1196131781 /nfs/dbraw/zinc/13/17/81/1196131781.db2.gz FYBMYSHYEAKNOP-MRXNPFEDSA-N 2 2 306.500 3.428 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657727784 1196173245 /nfs/dbraw/zinc/17/32/45/1196173245.db2.gz DPWBFNMTWVJPNE-OAHLLOKOSA-N 2 2 317.396 3.371 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC001657917848 1196193044 /nfs/dbraw/zinc/19/30/44/1196193044.db2.gz ICWADTBBWRYOML-AEFFLSMTSA-N 2 2 316.489 3.338 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC001657917848 1196193045 /nfs/dbraw/zinc/19/30/45/1196193045.db2.gz ICWADTBBWRYOML-AEFFLSMTSA-N 2 2 316.489 3.338 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001658132936 1196214509 /nfs/dbraw/zinc/21/45/09/1196214509.db2.gz UOEONLSHEJYENR-RYRKJORJSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001658132936 1196214513 /nfs/dbraw/zinc/21/45/13/1196214513.db2.gz UOEONLSHEJYENR-RYRKJORJSA-N 2 2 304.478 3.179 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cccc(OC)n1)C1CCCCC1 ZINC001658499295 1196266407 /nfs/dbraw/zinc/26/64/07/1196266407.db2.gz JDTAXQUQOPQNMZ-UHFFFAOYSA-N 2 2 305.466 3.225 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cccc(OC)n1)C1CCCCC1 ZINC001658499295 1196266411 /nfs/dbraw/zinc/26/64/11/1196266411.db2.gz JDTAXQUQOPQNMZ-UHFFFAOYSA-N 2 2 305.466 3.225 20 0 DGADLP CC[NH+]1CCC(C[NH2+][C@H](CC(C)C)C(=O)OC(C)(C)C)CC1 ZINC001658687821 1196288010 /nfs/dbraw/zinc/28/80/10/1196288010.db2.gz QXYGVANUMVHQKB-MRXNPFEDSA-N 2 2 312.498 3.064 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2c(OC)ccc3ccccc32)C1 ZINC001658880205 1196313351 /nfs/dbraw/zinc/31/33/51/1196313351.db2.gz OIRONTFHFZWIPB-QGZVFWFLSA-N 2 2 312.457 3.465 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2c(OC)ccc3ccccc32)C1 ZINC001658880205 1196313352 /nfs/dbraw/zinc/31/33/52/1196313352.db2.gz OIRONTFHFZWIPB-QGZVFWFLSA-N 2 2 312.457 3.465 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC001659203158 1196358547 /nfs/dbraw/zinc/35/85/47/1196358547.db2.gz XKCLEMZUFGJSID-MRXNPFEDSA-N 2 2 303.425 3.314 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC001659203158 1196358550 /nfs/dbraw/zinc/35/85/50/1196358550.db2.gz XKCLEMZUFGJSID-MRXNPFEDSA-N 2 2 303.425 3.314 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](CCCOc1cccc(Cl)c1)CC2 ZINC001659861106 1196423038 /nfs/dbraw/zinc/42/30/38/1196423038.db2.gz KRNSSRVBNMBUPT-UHFFFAOYSA-N 2 2 317.820 3.144 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](CCCOc1cccc(Cl)c1)CC2 ZINC001659861106 1196423041 /nfs/dbraw/zinc/42/30/41/1196423041.db2.gz KRNSSRVBNMBUPT-UHFFFAOYSA-N 2 2 317.820 3.144 20 0 DGADLP COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001659940173 1196430878 /nfs/dbraw/zinc/43/08/78/1196430878.db2.gz YVTPTSBLXJOTCR-GOSISDBHSA-N 2 2 318.461 3.099 20 0 DGADLP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001659940173 1196430880 /nfs/dbraw/zinc/43/08/80/1196430880.db2.gz YVTPTSBLXJOTCR-GOSISDBHSA-N 2 2 318.461 3.099 20 0 DGADLP CC[NH+]1CCC(C[NH2+]CC(F)(F)c2ccc(F)cc2F)CC1 ZINC001659968490 1196433882 /nfs/dbraw/zinc/43/38/82/1196433882.db2.gz GPVLZIMMNJMROJ-UHFFFAOYSA-N 2 2 318.358 3.378 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878021 1196538443 /nfs/dbraw/zinc/53/84/43/1196538443.db2.gz NGYXGTSJUILJEX-HZPDHXFCSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878021 1196538445 /nfs/dbraw/zinc/53/84/45/1196538445.db2.gz NGYXGTSJUILJEX-HZPDHXFCSA-N 2 2 308.510 3.434 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001660919276 1196541529 /nfs/dbraw/zinc/54/15/29/1196541529.db2.gz YPBFNRKXCLPINL-UHFFFAOYSA-N 2 2 305.372 3.120 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001660981074 1196549587 /nfs/dbraw/zinc/54/95/87/1196549587.db2.gz BEIUZCCZNZADCK-UHFFFAOYSA-N 2 2 310.445 3.041 20 0 DGADLP CCC(CC)C[N@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001663396267 1196857206 /nfs/dbraw/zinc/85/72/06/1196857206.db2.gz IUUWFCJTWKOZRF-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CCC(CC)C[N@@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001663396267 1196857213 /nfs/dbraw/zinc/85/72/13/1196857213.db2.gz IUUWFCJTWKOZRF-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP C[C@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)C[NH+]1CCCC1 ZINC000079745808 1196983654 /nfs/dbraw/zinc/98/36/54/1196983654.db2.gz OVVORMUFOODZTB-MRXNPFEDSA-N 2 2 319.468 3.247 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102370 1197097481 /nfs/dbraw/zinc/09/74/81/1197097481.db2.gz QQWPREQWWMGYLP-QYZOEREBSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102370 1197097486 /nfs/dbraw/zinc/09/74/86/1197097486.db2.gz QQWPREQWWMGYLP-QYZOEREBSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001665711952 1197179869 /nfs/dbraw/zinc/17/98/69/1197179869.db2.gz HPZXTCQZBZJAHD-CMTQZCSUSA-N 2 2 321.553 3.349 20 0 DGADLP C[C@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001665711952 1197179875 /nfs/dbraw/zinc/17/98/75/1197179875.db2.gz HPZXTCQZBZJAHD-CMTQZCSUSA-N 2 2 321.553 3.349 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948427 1197692356 /nfs/dbraw/zinc/69/23/56/1197692356.db2.gz CDFMFUQRNYVPBU-KBXCAEBGSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948427 1197692362 /nfs/dbraw/zinc/69/23/62/1197692362.db2.gz CDFMFUQRNYVPBU-KBXCAEBGSA-N 2 2 315.392 3.042 20 0 DGADLP CCCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674687284 1197832987 /nfs/dbraw/zinc/83/29/87/1197832987.db2.gz OIJFSTBFWAYSEN-UONOGXRCSA-N 2 2 316.449 3.240 20 0 DGADLP CC[C@@](C)(C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)OC ZINC000319014745 1199836560 /nfs/dbraw/zinc/83/65/60/1199836560.db2.gz GTDSUYQYSWIDEO-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP CC[C@@](C)(C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)OC ZINC000319014745 1199836565 /nfs/dbraw/zinc/83/65/65/1199836565.db2.gz GTDSUYQYSWIDEO-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(Cl)nc2ccccn21)C[NH+]1CCCCC1 ZINC000123676323 1200287534 /nfs/dbraw/zinc/28/75/34/1200287534.db2.gz SNQRQUQMNFVAMY-AWEZNQCLSA-N 2 2 320.868 3.199 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000131008570 1201093159 /nfs/dbraw/zinc/09/31/59/1201093159.db2.gz LHGWEUFHDJQPPX-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699408497 1201844868 /nfs/dbraw/zinc/84/48/68/1201844868.db2.gz GGKSGPTYEILJOQ-KBPBESRZSA-N 2 2 322.412 3.032 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001753058310 1202089319 /nfs/dbraw/zinc/08/93/19/1202089319.db2.gz ZGFHBOCNJTZKKM-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001753058310 1202089322 /nfs/dbraw/zinc/08/93/22/1202089322.db2.gz ZGFHBOCNJTZKKM-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCCC(C)(C)C)c(C)[nH+]1 ZINC001753213910 1202184079 /nfs/dbraw/zinc/18/40/79/1202184079.db2.gz KIRNFFVTWQKAPI-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000140243994 1202469929 /nfs/dbraw/zinc/46/99/29/1202469929.db2.gz DKFZSSJEMIRSDB-OAHLLOKOSA-N 2 2 307.397 3.215 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)C[NH+]1CCCC1 ZINC000152196111 1202594084 /nfs/dbraw/zinc/59/40/84/1202594084.db2.gz NGOXVFBPSYMJMQ-KBPBESRZSA-N 2 2 307.507 3.089 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155614593 1202599018 /nfs/dbraw/zinc/59/90/18/1202599018.db2.gz VZNCUMNMHHMHSJ-UHFFFAOYSA-N 2 2 315.461 3.133 20 0 DGADLP CCC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[NH2+]1 ZINC000233032422 1202602219 /nfs/dbraw/zinc/60/22/19/1202602219.db2.gz AACRLOUTLGMPIN-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP CCC[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[NH2+]1 ZINC000233032422 1202602220 /nfs/dbraw/zinc/60/22/20/1202602220.db2.gz AACRLOUTLGMPIN-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP CC(C)CCC[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001712955091 1202606355 /nfs/dbraw/zinc/60/63/55/1202606355.db2.gz YLEULGBXQFQUFJ-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC(C)CCC[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001712955091 1202606356 /nfs/dbraw/zinc/60/63/56/1202606356.db2.gz YLEULGBXQFQUFJ-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000236599129 1202614405 /nfs/dbraw/zinc/61/44/05/1202614405.db2.gz WOBVIDCUJSZMMN-UHFFFAOYSA-N 3 2 315.505 3.113 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714481028 1202955091 /nfs/dbraw/zinc/95/50/91/1202955091.db2.gz VALTVCJLNZNBPO-ZPIQOJFGSA-N 2 2 317.477 3.461 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001732715780 1204932612 /nfs/dbraw/zinc/93/26/12/1204932612.db2.gz NDJNJLNGQGNJTA-AWEZNQCLSA-N 2 2 305.466 3.151 20 0 DGADLP CC/C=C/CC[NH2+]C/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732881310 1204954093 /nfs/dbraw/zinc/95/40/93/1204954093.db2.gz LWJFNAJREXMTLF-KQHSAVHASA-N 2 2 315.461 3.239 20 0 DGADLP CCc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)cc(C)[nH+]1 ZINC001165050089 721975664 /nfs/dbraw/zinc/97/56/64/721975664.db2.gz TVLRYVCHHOWJHE-INIZCTEOSA-N 2 2 302.466 3.192 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206770995 1081629178 /nfs/dbraw/zinc/62/91/78/1081629178.db2.gz VONIEGPDCRQEJV-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206770995 1081629182 /nfs/dbraw/zinc/62/91/82/1081629182.db2.gz VONIEGPDCRQEJV-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccn2cc(N)[nH+]c2c1 ZINC001169694514 1081631188 /nfs/dbraw/zinc/63/11/88/1081631188.db2.gz BPOUVRZAEOHKDG-OAHLLOKOSA-N 2 2 307.401 3.157 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccn2cc(N)[nH+]c2c1 ZINC001169694513 1081631199 /nfs/dbraw/zinc/63/11/99/1081631199.db2.gz BPOUVRZAEOHKDG-HNNXBMFYSA-N 2 2 307.401 3.157 20 0 DGADLP FC(F)(F)c1c[nH]c2[nH+]ccc(NCC34CC[NH+](CC3)CC4)c12 ZINC001169802307 1081653306 /nfs/dbraw/zinc/65/33/06/1081653306.db2.gz MHJIURUGEPTRMO-UHFFFAOYSA-N 2 2 324.350 3.480 20 0 DGADLP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000069448121 1081970607 /nfs/dbraw/zinc/97/06/07/1081970607.db2.gz PUOBSIHBPXDWDU-KRWDZBQOSA-N 2 2 312.417 3.075 20 0 DGADLP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000069448121 1081970613 /nfs/dbraw/zinc/97/06/13/1081970613.db2.gz PUOBSIHBPXDWDU-KRWDZBQOSA-N 2 2 312.417 3.075 20 0 DGADLP CN(c1c(Br)c[nH+]c2ccccc21)C(C)(C)C[NH3+] ZINC001170059535 1081971172 /nfs/dbraw/zinc/97/11/72/1081971172.db2.gz ZGPLDAIZMYYTDK-UHFFFAOYSA-N 2 2 308.223 3.171 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(COc3ccccc3)cc2)CC[NH2+]1 ZINC001210517928 1081975292 /nfs/dbraw/zinc/97/52/92/1081975292.db2.gz AQYDBJDDWNFQFC-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)CC[NH2+]1 ZINC001210517928 1081975296 /nfs/dbraw/zinc/97/52/96/1081975296.db2.gz AQYDBJDDWNFQFC-QGZVFWFLSA-N 2 2 310.441 3.449 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC001170137821 1082179991 /nfs/dbraw/zinc/17/99/91/1082179991.db2.gz PCGHDHZFUQTXMN-GJZGRUSLSA-N 2 2 304.482 3.072 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC001170137821 1082179995 /nfs/dbraw/zinc/17/99/95/1082179995.db2.gz PCGHDHZFUQTXMN-GJZGRUSLSA-N 2 2 304.482 3.072 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139730 1082183581 /nfs/dbraw/zinc/18/35/81/1082183581.db2.gz WMUMZYQZZNNIOY-UGUYLWEFSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139730 1082183584 /nfs/dbraw/zinc/18/35/84/1082183584.db2.gz WMUMZYQZZNNIOY-UGUYLWEFSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001170139730 1082183587 /nfs/dbraw/zinc/18/35/87/1082183587.db2.gz WMUMZYQZZNNIOY-UGUYLWEFSA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001170139730 1082183589 /nfs/dbraw/zinc/18/35/89/1082183589.db2.gz WMUMZYQZZNNIOY-UGUYLWEFSA-N 2 2 305.491 3.228 20 0 DGADLP C[NH+]1C(C)(C)CC(Nc2cc(N3CCCC3)[nH+]cn2)CC1(C)C ZINC001170453073 1082479353 /nfs/dbraw/zinc/47/93/53/1082479353.db2.gz IYTFXWBEKRKOJK-UHFFFAOYSA-N 2 2 317.481 3.140 20 0 DGADLP C[NH+]1C(C)(C)CC(Nc2cc(N3CCCC3)nc[nH+]2)CC1(C)C ZINC001170453073 1082479356 /nfs/dbraw/zinc/47/93/56/1082479356.db2.gz IYTFXWBEKRKOJK-UHFFFAOYSA-N 2 2 317.481 3.140 20 0 DGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170484252 1082562079 /nfs/dbraw/zinc/56/20/79/1082562079.db2.gz XKWKABUDWJNIIY-MRXNPFEDSA-N 2 2 322.497 3.187 20 0 DGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001104435837 1082642058 /nfs/dbraw/zinc/64/20/58/1082642058.db2.gz JAQMUFMHELKMCG-RHSMWYFYSA-N 2 2 317.477 3.103 20 0 DGADLP c1c[nH+]c(-c2ccc(Nc3c[nH+]ccc3N3CCOCC3)cc2)[nH]1 ZINC001213088066 1082700055 /nfs/dbraw/zinc/70/00/55/1082700055.db2.gz NWGWRBYWOMKPPH-UHFFFAOYSA-N 2 2 321.384 3.052 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678336 1083097779 /nfs/dbraw/zinc/09/77/79/1083097779.db2.gz XKJXZMDGUIMSMD-CVEARBPZSA-N 2 2 308.416 3.142 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678336 1083097784 /nfs/dbraw/zinc/09/77/84/1083097784.db2.gz XKJXZMDGUIMSMD-CVEARBPZSA-N 2 2 308.416 3.142 20 0 DGADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H](C[NH3+])c3ccc(Br)cc3)C[C@@H]21 ZINC001170724617 1083234072 /nfs/dbraw/zinc/23/40/72/1083234072.db2.gz NPMRGAMYISUBPZ-XGUBFFRZSA-N 2 2 323.278 3.473 20 0 DGADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H](C[NH3+])c3ccc(Br)cc3)C[C@@H]21 ZINC001170724618 1083234111 /nfs/dbraw/zinc/23/41/11/1083234111.db2.gz NPMRGAMYISUBPZ-XQLPTFJDSA-N 2 2 323.278 3.473 20 0 DGADLP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739960 1083326768 /nfs/dbraw/zinc/32/67/68/1083326768.db2.gz MJYNNLRMHBZZOI-KGLIPLIRSA-N 2 2 316.449 3.096 20 0 DGADLP CCCc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001182595395 1083759203 /nfs/dbraw/zinc/75/92/03/1083759203.db2.gz SGQYCBOLMCOWHD-FQEVSTJZSA-N 2 2 316.489 3.326 20 0 DGADLP CCCc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001182595395 1083759212 /nfs/dbraw/zinc/75/92/12/1083759212.db2.gz SGQYCBOLMCOWHD-FQEVSTJZSA-N 2 2 316.489 3.326 20 0 DGADLP COC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001183065808 1083871385 /nfs/dbraw/zinc/87/13/85/1083871385.db2.gz PULMYWWDOBIGEL-CZUORRHYSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1csc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001183065808 1083871398 /nfs/dbraw/zinc/87/13/98/1083871398.db2.gz PULMYWWDOBIGEL-CZUORRHYSA-N 2 2 324.490 3.087 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000072670475 1083959386 /nfs/dbraw/zinc/95/93/86/1083959386.db2.gz JEBBQHGJDRAJNL-AWEZNQCLSA-N 2 2 323.396 3.437 20 0 DGADLP Fc1ccc(Oc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204668331 1084131806 /nfs/dbraw/zinc/13/18/06/1084131806.db2.gz UUANWOHLAFVMNI-UHFFFAOYSA-N 2 2 300.377 3.413 20 0 DGADLP Fc1ccc(Oc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204668331 1084131811 /nfs/dbraw/zinc/13/18/11/1084131811.db2.gz UUANWOHLAFVMNI-UHFFFAOYSA-N 2 2 300.377 3.413 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC2CSC2)C[N@@H+]1Cc1ccccc1 ZINC001184389563 1084170259 /nfs/dbraw/zinc/17/02/59/1084170259.db2.gz YBFJHKNDCZZCQR-QAPCUYQASA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC2CSC2)C[N@H+]1Cc1ccccc1 ZINC001184389563 1084170262 /nfs/dbraw/zinc/17/02/62/1084170262.db2.gz YBFJHKNDCZZCQR-QAPCUYQASA-N 2 2 304.503 3.382 20 0 DGADLP CCc1cc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc(CC)[nH+]1 ZINC001184998573 1084319321 /nfs/dbraw/zinc/31/93/21/1084319321.db2.gz FARXAABFUOJSPI-RBSFLKMASA-N 2 2 304.482 3.380 20 0 DGADLP CCc1cc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184998571 1084319527 /nfs/dbraw/zinc/31/95/27/1084319527.db2.gz FARXAABFUOJSPI-QLFBSQMISA-N 2 2 304.482 3.380 20 0 DGADLP CCc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184998571 1084319534 /nfs/dbraw/zinc/31/95/34/1084319534.db2.gz FARXAABFUOJSPI-QLFBSQMISA-N 2 2 304.482 3.380 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001482125294 1084846087 /nfs/dbraw/zinc/84/60/87/1084846087.db2.gz WAMHDMMUOLQZEI-QWHCGFSZSA-N 2 2 305.466 3.008 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001482125292 1084846285 /nfs/dbraw/zinc/84/62/85/1084846285.db2.gz WAMHDMMUOLQZEI-CHWSQXEVSA-N 2 2 305.466 3.008 20 0 DGADLP Clc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958736 1085623562 /nfs/dbraw/zinc/62/35/62/1085623562.db2.gz JOVSMZSGWMEBSS-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP Clc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958736 1085623565 /nfs/dbraw/zinc/62/35/65/1085623565.db2.gz JOVSMZSGWMEBSS-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167966252 1085874482 /nfs/dbraw/zinc/87/44/82/1085874482.db2.gz RYYPAOVDCZGIDW-ALOPSCKCSA-N 2 2 305.853 3.230 20 0 DGADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167966252 1085874491 /nfs/dbraw/zinc/87/44/91/1085874491.db2.gz RYYPAOVDCZGIDW-ALOPSCKCSA-N 2 2 305.853 3.230 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056612 1086626383 /nfs/dbraw/zinc/62/63/83/1086626383.db2.gz GQVYCQSWIZJFIY-WOUAJJJCSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056612 1086626385 /nfs/dbraw/zinc/62/63/85/1086626385.db2.gz GQVYCQSWIZJFIY-WOUAJJJCSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056612 1086626390 /nfs/dbraw/zinc/62/63/90/1086626390.db2.gz GQVYCQSWIZJFIY-WOUAJJJCSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056612 1086626393 /nfs/dbraw/zinc/62/63/93/1086626393.db2.gz GQVYCQSWIZJFIY-WOUAJJJCSA-N 2 2 314.473 3.339 20 0 DGADLP C[C@@H]1CC([N@@H+]2CCOC3(CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058652 1086633021 /nfs/dbraw/zinc/63/30/21/1086633021.db2.gz QPWAKBJFKPDFAY-IAGOWNOFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1CC([N@H+]2CCOC3(CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058652 1086633027 /nfs/dbraw/zinc/63/30/27/1086633027.db2.gz QPWAKBJFKPDFAY-IAGOWNOFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1CC([N@H+](C)C2(C)COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061437 1086641220 /nfs/dbraw/zinc/64/12/20/1086641220.db2.gz ILDWKQPFHVLWTR-HOTGVXAUSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@H]1CC([N@@H+](C)C2(C)COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061437 1086641224 /nfs/dbraw/zinc/64/12/24/1086641224.db2.gz ILDWKQPFHVLWTR-HOTGVXAUSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001204809887 1086942419 /nfs/dbraw/zinc/94/24/19/1086942419.db2.gz LZTFZXOXSYGWBX-QGZVFWFLSA-N 2 2 301.821 3.325 20 0 DGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001204809887 1086942422 /nfs/dbraw/zinc/94/24/22/1086942422.db2.gz LZTFZXOXSYGWBX-QGZVFWFLSA-N 2 2 301.821 3.325 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001168428460 1087648924 /nfs/dbraw/zinc/64/89/24/1087648924.db2.gz ARQYUGOAKKCZGC-IBGZPJMESA-N 2 2 314.448 3.101 20 0 DGADLP Fc1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001168428460 1087648927 /nfs/dbraw/zinc/64/89/27/1087648927.db2.gz ARQYUGOAKKCZGC-IBGZPJMESA-N 2 2 314.448 3.101 20 0 DGADLP CC(C)(C)Nc1nc(Cl)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205109535 1087932287 /nfs/dbraw/zinc/93/22/87/1087932287.db2.gz HXQUTEPXCKRJHP-JTQLQIEISA-N 2 2 316.902 3.320 20 0 DGADLP CC(C)(C)Nc1nc(Cl)c(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205109535 1087932297 /nfs/dbraw/zinc/93/22/97/1087932297.db2.gz HXQUTEPXCKRJHP-JTQLQIEISA-N 2 2 316.902 3.320 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001205110082 1087934211 /nfs/dbraw/zinc/93/42/11/1087934211.db2.gz OEAPNRDPTXPHPV-SNVBAGLBSA-N 2 2 308.294 3.297 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001205110082 1087934221 /nfs/dbraw/zinc/93/42/21/1087934221.db2.gz OEAPNRDPTXPHPV-SNVBAGLBSA-N 2 2 308.294 3.297 20 0 DGADLP COc1ccc2[nH+]c(NCC34CC[NH+](CC3)CC4)c(C)cc2c1 ZINC001158824835 1088052379 /nfs/dbraw/zinc/05/23/79/1088052379.db2.gz YMLLWXTXTBEVFL-UHFFFAOYSA-N 2 2 311.429 3.450 20 0 DGADLP COc1ccc(C)[nH+]c1N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001159010322 1088137504 /nfs/dbraw/zinc/13/75/04/1088137504.db2.gz IQLAZDWJIMKTGQ-UHFFFAOYSA-N 2 2 323.440 3.040 20 0 DGADLP Brc1ccc2c(NC3=CCC[NH2+]C3)cc[nH+]c2c1 ZINC001159290337 1088274531 /nfs/dbraw/zinc/27/45/31/1088274531.db2.gz RGKSGNROJBQFRS-UHFFFAOYSA-N 2 2 304.191 3.286 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001159352517 1088311573 /nfs/dbraw/zinc/31/15/73/1088311573.db2.gz VMRXPOCQRYEHEB-OAHLLOKOSA-N 2 2 310.401 3.147 20 0 DGADLP CNc1ccc(Nc2cnccc2[C@H]2C[C@H]([NH3+])C[C@@H](C)C2)c[nH+]1 ZINC001159387551 1088330038 /nfs/dbraw/zinc/33/00/38/1088330038.db2.gz CUHMURGVRWRZEK-BFHYXJOUSA-N 2 2 311.433 3.493 20 0 DGADLP CNc1ccc(Nc2cnccc2[C@@H]2C[C@@H](C)C[C@H]([NH3+])C2)c[nH+]1 ZINC001159387552 1088330842 /nfs/dbraw/zinc/33/08/42/1088330842.db2.gz CUHMURGVRWRZEK-MCIONIFRSA-N 2 2 311.433 3.493 20 0 DGADLP CN(C)c1ccc(Nc2ccc(OC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159622068 1088422405 /nfs/dbraw/zinc/42/24/05/1088422405.db2.gz GTPMDSGMUUWWCC-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015465 1088441668 /nfs/dbraw/zinc/44/16/68/1088441668.db2.gz JKSVHQUZLKGDDM-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015465 1088441679 /nfs/dbraw/zinc/44/16/79/1088441679.db2.gz JKSVHQUZLKGDDM-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1cc(C)c(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)c[nH+]1 ZINC001160070402 1088630363 /nfs/dbraw/zinc/63/03/63/1088630363.db2.gz CCBFCANEWLDQFR-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160128103 1088654182 /nfs/dbraw/zinc/65/41/82/1088654182.db2.gz KPBWFJSJOBZXKD-CYBMUJFWSA-N 2 2 301.365 3.322 20 0 DGADLP CN(C)c1ccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC001160212991 1088702346 /nfs/dbraw/zinc/70/23/46/1088702346.db2.gz XKLFHRJGYZBHHR-KRWDZBQOSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1CN1CC[NH2+]CC1 ZINC001160298775 1088748890 /nfs/dbraw/zinc/74/88/90/1088748890.db2.gz HRQMSZJXEMEIJK-UHFFFAOYSA-N 2 2 322.456 3.416 20 0 DGADLP Cc1cccc2cc[nH+]c(N[C@H]3CCC[C@H]3[NH+]3CCOCC3)c12 ZINC001160730415 1088935396 /nfs/dbraw/zinc/93/53/96/1088935396.db2.gz DTMMAOVXIVLCLF-DLBZAZTESA-N 2 2 311.429 3.208 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160734916 1088937646 /nfs/dbraw/zinc/93/76/46/1088937646.db2.gz BRFGAOCRKBYLKT-JSGCOSHPSA-N 2 2 309.335 3.496 20 0 DGADLP COc1cc2[nH+]c(Nc3cccc(CC[NH3+])c3)ccc2c(OC)c1 ZINC001161082250 1089110249 /nfs/dbraw/zinc/11/02/49/1089110249.db2.gz QFCZQFVTSVUUDH-UHFFFAOYSA-N 2 2 323.396 3.497 20 0 DGADLP c1cc2n(c1)C[C@H](CCNc1cc3ccccc3c[nH+]1)C[NH2+]C2 ZINC001155453902 1089119088 /nfs/dbraw/zinc/11/90/88/1089119088.db2.gz QKGCQPUBDHBEFY-OAHLLOKOSA-N 2 2 306.413 3.258 20 0 DGADLP Cc1c[nH+]c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)c(C)c1 ZINC001161119583 1089123715 /nfs/dbraw/zinc/12/37/15/1089123715.db2.gz DTTOHZYMLVNYLJ-UHFFFAOYSA-N 2 2 303.450 3.190 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001155592153 1089178998 /nfs/dbraw/zinc/17/89/98/1089178998.db2.gz MLARBIMICWSPLJ-KXBFYZLASA-N 2 2 311.429 3.114 20 0 DGADLP c1ccc(-c2cc[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c2)cc1 ZINC001155824358 1089257832 /nfs/dbraw/zinc/25/78/32/1089257832.db2.gz OWTVQUZLRZBTGE-AZUAARDMSA-N 2 2 323.440 3.462 20 0 DGADLP CC(C)(C)c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]c1 ZINC001155829551 1089262107 /nfs/dbraw/zinc/26/21/07/1089262107.db2.gz WMYJKHORISKTIB-MAUKXSAKSA-N 2 2 303.450 3.092 20 0 DGADLP [NH3+][C@H]1CCC[C@H](Nc2c(Br)c[nH+]c3ccccc32)C1 ZINC001162402651 1089717837 /nfs/dbraw/zinc/71/78/37/1089717837.db2.gz UZUPCQXMMBNIEQ-QWRGUYRKSA-N 2 2 320.234 3.101 20 0 DGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1C ZINC001162461761 1089744889 /nfs/dbraw/zinc/74/48/89/1089744889.db2.gz QYOPVVVBJVBUBL-SWLSCSKDSA-N 2 2 304.482 3.439 20 0 DGADLP COc1cc2[nH+]c(NCc3ccc(N)[nH+]c3C)ccc2c(OC)c1 ZINC001156980611 1089773311 /nfs/dbraw/zinc/77/33/11/1089773311.db2.gz KXIYLLKFRKZKLG-UHFFFAOYSA-N 2 2 324.384 3.150 20 0 DGADLP F[C@]1(CNc2cc(-c3ccncc3)cc[nH+]2)CCCC[NH2+]C1 ZINC001162580042 1089805369 /nfs/dbraw/zinc/80/53/69/1089805369.db2.gz QKSHEOGFHIARPE-QGZVFWFLSA-N 2 2 300.381 3.037 20 0 DGADLP C[NH+]1CCN(c2ccc([NH2+]C[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC001162649553 1089857420 /nfs/dbraw/zinc/85/74/20/1089857420.db2.gz JLUKWHJICMQLSA-CQSZACIVSA-N 2 2 309.404 3.286 20 0 DGADLP CCN(Cc1ccc(C)c(C)c1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157362093 1089924876 /nfs/dbraw/zinc/92/48/76/1089924876.db2.gz XQOXKYWLZNKMEZ-UHFFFAOYSA-N 2 2 324.472 3.135 20 0 DGADLP COc1ccc2c(cc[nH+]c2NCC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001162809590 1089968143 /nfs/dbraw/zinc/96/81/43/1089968143.db2.gz BJTINEZKVCRODC-ZDUSSCGKSA-N 2 2 321.371 3.290 20 0 DGADLP COc1cc(NCC[C@@H]2CC[NH2+]CC2(F)F)[nH+]c2ccccc21 ZINC001162811767 1089969345 /nfs/dbraw/zinc/96/93/45/1089969345.db2.gz FDKJRXWEZDIKKO-LBPRGKRZSA-N 2 2 321.371 3.290 20 0 DGADLP CCCN(CCC)c1cc(NC2CC3(C2)CCC[NH2+]C3)[nH+]cn1 ZINC001162982148 1090044489 /nfs/dbraw/zinc/04/44/89/1090044489.db2.gz PQQSFPSDLRMWJI-UHFFFAOYSA-N 2 2 317.481 3.047 20 0 DGADLP CCCN(CCC)c1cc(NC2CC3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC001162982148 1090044503 /nfs/dbraw/zinc/04/45/03/1090044503.db2.gz PQQSFPSDLRMWJI-UHFFFAOYSA-N 2 2 317.481 3.047 20 0 DGADLP Cc1cccc2cc[nH+]c(Nc3ccc([C@H](C[NH3+])CO)cc3)c12 ZINC001163058323 1090065973 /nfs/dbraw/zinc/06/59/73/1090065973.db2.gz GRPWGSFAWDDHOL-MRXNPFEDSA-N 2 2 307.397 3.321 20 0 DGADLP C[C@H]1[C@H]([NH3+])CCCN1c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001157744604 1090094370 /nfs/dbraw/zinc/09/43/70/1090094370.db2.gz LLIBOPUIHUNBNX-WMLDXEAASA-N 2 2 310.445 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001485335878 1090109238 /nfs/dbraw/zinc/10/92/38/1090109238.db2.gz XXFJPYFPNVHBAO-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001485335878 1090109243 /nfs/dbraw/zinc/10/92/43/1090109243.db2.gz XXFJPYFPNVHBAO-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP COc1cccc([C@H](C[NH3+])Nc2cc(C)[nH+]c(C(C)(C)C)n2)c1 ZINC001163311417 1090147562 /nfs/dbraw/zinc/14/75/62/1090147562.db2.gz DOCVZGDNWSFHLK-HNNXBMFYSA-N 2 2 314.433 3.203 20 0 DGADLP C[NH+]1CCN(c2cccc(NC(C)(C)CC(C)(C)C)[nH+]2)CC1 ZINC001158187907 1090197854 /nfs/dbraw/zinc/19/78/54/1090197854.db2.gz ONUPODDPXUBKSK-UHFFFAOYSA-N 2 2 304.482 3.460 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001163672955 1090228769 /nfs/dbraw/zinc/22/87/69/1090228769.db2.gz QWSSKDWEQQMOLJ-GOSISDBHSA-N 2 2 311.429 3.362 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001163672955 1090228774 /nfs/dbraw/zinc/22/87/74/1090228774.db2.gz QWSSKDWEQQMOLJ-GOSISDBHSA-N 2 2 311.429 3.362 20 0 DGADLP Cc1nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001164467914 1090427590 /nfs/dbraw/zinc/42/75/90/1090427590.db2.gz OFLJMFHZSVTSBH-DZGCQCFKSA-N 2 2 302.466 3.396 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC001164493534 1090432302 /nfs/dbraw/zinc/43/23/02/1090432302.db2.gz UDXSBOIBOVPWMR-QXAKKESOSA-N 2 2 322.456 3.446 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC001164493534 1090432304 /nfs/dbraw/zinc/43/23/04/1090432304.db2.gz UDXSBOIBOVPWMR-QXAKKESOSA-N 2 2 322.456 3.446 20 0 DGADLP CC[NH+]1CCC(N(C)c2[nH+]ccc3cc(OC)c(F)cc32)CC1 ZINC001165069556 1090459648 /nfs/dbraw/zinc/45/96/48/1090459648.db2.gz NPYJNTYHNFQXIZ-UHFFFAOYSA-N 2 2 317.408 3.303 20 0 DGADLP CCc1cc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC001165201331 1090478297 /nfs/dbraw/zinc/47/82/97/1090478297.db2.gz GTFAMWBCZQEJCT-JKSUJKDBSA-N 2 2 324.472 3.447 20 0 DGADLP CCc1cc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC001165201331 1090478302 /nfs/dbraw/zinc/47/83/02/1090478302.db2.gz GTFAMWBCZQEJCT-JKSUJKDBSA-N 2 2 324.472 3.447 20 0 DGADLP Cc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001165238446 1090486292 /nfs/dbraw/zinc/48/62/92/1090486292.db2.gz AVZBLWYJYSHFNQ-IBGZPJMESA-N 2 2 314.477 3.413 20 0 DGADLP CSc1c[nH]c2nc[nH+]c(NCC3CC[NH+](C(C)C)CC3)c12 ZINC001166602889 1090626730 /nfs/dbraw/zinc/62/67/30/1090626730.db2.gz AKVJUALVIBTLFW-UHFFFAOYSA-N 2 2 319.478 3.164 20 0 DGADLP Cc1nc(N2CC[C@H]([NH3+])C(F)(F)C2)cc(C2CCCCC2)[nH+]1 ZINC001166959339 1090682783 /nfs/dbraw/zinc/68/27/83/1090682783.db2.gz WVBKZKWOYPZLHM-AWEZNQCLSA-N 2 2 310.392 3.005 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(C)c1 ZINC001203731734 1090791704 /nfs/dbraw/zinc/79/17/04/1090791704.db2.gz KTVUHICMQCJNBB-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1C ZINC001203899061 1090832307 /nfs/dbraw/zinc/83/23/07/1090832307.db2.gz KDGCIYIQXDGFLT-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2sccc2C)CC1 ZINC001204022125 1090872196 /nfs/dbraw/zinc/87/21/96/1090872196.db2.gz SNEKRDNWEQDCBC-INIZCTEOSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2sccc2C)CC1 ZINC001204022125 1090872203 /nfs/dbraw/zinc/87/22/03/1090872203.db2.gz SNEKRDNWEQDCBC-INIZCTEOSA-N 2 2 308.491 3.132 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@@H]2C1 ZINC001204089085 1090898814 /nfs/dbraw/zinc/89/88/14/1090898814.db2.gz KJDDFYRFKTXBLQ-GDPRMGEGSA-N 2 2 305.274 3.485 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@@H]2C1 ZINC001204089085 1090898816 /nfs/dbraw/zinc/89/88/16/1090898816.db2.gz KJDDFYRFKTXBLQ-GDPRMGEGSA-N 2 2 305.274 3.485 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC001204055582 1090885508 /nfs/dbraw/zinc/88/55/08/1090885508.db2.gz JGPBPPXLCIHGSE-UHFFFAOYSA-N 2 2 316.445 3.254 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC001204055582 1090885516 /nfs/dbraw/zinc/88/55/16/1090885516.db2.gz JGPBPPXLCIHGSE-UHFFFAOYSA-N 2 2 316.445 3.254 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(F)c(C(F)(F)F)c3)C2)CC1 ZINC001204490543 1090981171 /nfs/dbraw/zinc/98/11/71/1090981171.db2.gz UFTZKSUFDVJOLV-UHFFFAOYSA-N 2 2 316.342 3.372 20 0 DGADLP COc1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)ccc2c1 ZINC001204518154 1090989140 /nfs/dbraw/zinc/98/91/40/1090989140.db2.gz UEQGBVJSYJLQES-QUCCMNQESA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)ccc2c1 ZINC001204518154 1090989146 /nfs/dbraw/zinc/98/91/46/1090989146.db2.gz UEQGBVJSYJLQES-QUCCMNQESA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)ccc2c1 ZINC001204518154 1090989148 /nfs/dbraw/zinc/98/91/48/1090989148.db2.gz UEQGBVJSYJLQES-QUCCMNQESA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)ccc2c1 ZINC001204518154 1090989153 /nfs/dbraw/zinc/98/91/53/1090989153.db2.gz UEQGBVJSYJLQES-QUCCMNQESA-N 2 2 310.441 3.374 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC001204531867 1090993049 /nfs/dbraw/zinc/99/30/49/1090993049.db2.gz ARAFBVTUBYCXCZ-RTBURBONSA-N 2 2 310.441 3.460 20 0 DGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001204791667 1091037653 /nfs/dbraw/zinc/03/76/53/1091037653.db2.gz RFAQYCKXKBQCSN-KRWDZBQOSA-N 2 2 319.811 3.464 20 0 DGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001204791667 1091037660 /nfs/dbraw/zinc/03/76/60/1091037660.db2.gz RFAQYCKXKBQCSN-KRWDZBQOSA-N 2 2 319.811 3.464 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893894 1091057850 /nfs/dbraw/zinc/05/78/50/1091057850.db2.gz OXQWCZUPNTWVSY-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893894 1091057856 /nfs/dbraw/zinc/05/78/56/1091057856.db2.gz OXQWCZUPNTWVSY-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893894 1091057863 /nfs/dbraw/zinc/05/78/63/1091057863.db2.gz OXQWCZUPNTWVSY-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)C2)C1 ZINC001204893894 1091057870 /nfs/dbraw/zinc/05/78/70/1091057870.db2.gz OXQWCZUPNTWVSY-HNNXBMFYSA-N 2 2 316.342 3.372 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCCC[C@H]3C[NH3+])c2c1 ZINC001204932581 1091065623 /nfs/dbraw/zinc/06/56/23/1091065623.db2.gz KVXIHRVSVVFTGB-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCCC[C@H]3C[NH3+])c2c1 ZINC001204932581 1091065630 /nfs/dbraw/zinc/06/56/30/1091065630.db2.gz KVXIHRVSVVFTGB-HNNXBMFYSA-N 2 2 314.429 3.170 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205273830 1091160873 /nfs/dbraw/zinc/16/08/73/1091160873.db2.gz PXIYBAKFVDZWMW-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205273830 1091160878 /nfs/dbraw/zinc/16/08/78/1091160878.db2.gz PXIYBAKFVDZWMW-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP COc1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138387332 1091163841 /nfs/dbraw/zinc/16/38/41/1091163841.db2.gz BQDDOFRRKANXQU-AWEZNQCLSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cccc(F)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001138387332 1091163849 /nfs/dbraw/zinc/16/38/49/1091163849.db2.gz BQDDOFRRKANXQU-AWEZNQCLSA-N 2 2 316.376 3.191 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC001205317160 1091181882 /nfs/dbraw/zinc/18/18/82/1091181882.db2.gz MWLSWIFTVPIZMH-OCCSQVGLSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@@H]1C[NH3+] ZINC001205317160 1091181888 /nfs/dbraw/zinc/18/18/88/1091181888.db2.gz MWLSWIFTVPIZMH-OCCSQVGLSA-N 2 2 319.449 3.366 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317784 1091182524 /nfs/dbraw/zinc/18/25/24/1091182524.db2.gz QGDHWIKGYKAXMD-GXSJLCMTSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205317784 1091182530 /nfs/dbraw/zinc/18/25/30/1091182530.db2.gz QGDHWIKGYKAXMD-GXSJLCMTSA-N 2 2 317.296 3.236 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001205325541 1091185540 /nfs/dbraw/zinc/18/55/40/1091185540.db2.gz PBRAGAAHAWCVMR-CQSZACIVSA-N 2 2 303.837 3.315 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001205325541 1091185543 /nfs/dbraw/zinc/18/55/43/1091185543.db2.gz PBRAGAAHAWCVMR-CQSZACIVSA-N 2 2 303.837 3.315 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001205325317 1091185779 /nfs/dbraw/zinc/18/57/79/1091185779.db2.gz MADLMDHWUJRMNI-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC001205325317 1091185782 /nfs/dbraw/zinc/18/57/82/1091185782.db2.gz MADLMDHWUJRMNI-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC001138552010 1091225254 /nfs/dbraw/zinc/22/52/54/1091225254.db2.gz UDROSJWXUJVKRJ-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC001138552010 1091225264 /nfs/dbraw/zinc/22/52/64/1091225264.db2.gz UDROSJWXUJVKRJ-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205796756 1091354222 /nfs/dbraw/zinc/35/42/22/1091354222.db2.gz TVYHOXCNVLXWCS-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205796756 1091354230 /nfs/dbraw/zinc/35/42/30/1091354230.db2.gz TVYHOXCNVLXWCS-ZDUSSCGKSA-N 2 2 302.796 3.373 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830234 1091369988 /nfs/dbraw/zinc/36/99/88/1091369988.db2.gz SGOFNLVTKOWKTP-WMLDXEAASA-N 2 2 302.462 3.349 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001205830234 1091370000 /nfs/dbraw/zinc/37/00/00/1091370000.db2.gz SGOFNLVTKOWKTP-WMLDXEAASA-N 2 2 302.462 3.349 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205843743 1091374934 /nfs/dbraw/zinc/37/49/34/1091374934.db2.gz UNAVDYMCKJFMMY-CRAIPNDOSA-N 2 2 320.477 3.317 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205843743 1091374945 /nfs/dbraw/zinc/37/49/45/1091374945.db2.gz UNAVDYMCKJFMMY-CRAIPNDOSA-N 2 2 320.477 3.317 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842738 1091375260 /nfs/dbraw/zinc/37/52/60/1091375260.db2.gz OSJPRIJCRYVNCD-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842738 1091375272 /nfs/dbraw/zinc/37/52/72/1091375272.db2.gz OSJPRIJCRYVNCD-KBXCAEBGSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001205843357 1091375712 /nfs/dbraw/zinc/37/57/12/1091375712.db2.gz RPFXTWVPEQGGSH-XJKSGUPXSA-N 2 2 318.852 3.085 20 0 DGADLP COc1ccc2sc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205842923 1091376225 /nfs/dbraw/zinc/37/62/25/1091376225.db2.gz PWQXTHPIYPXVEK-JSGCOSHPSA-N 2 2 304.459 3.469 20 0 DGADLP COc1ccc2sc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205842923 1091376239 /nfs/dbraw/zinc/37/62/39/1091376239.db2.gz PWQXTHPIYPXVEK-JSGCOSHPSA-N 2 2 304.459 3.469 20 0 DGADLP COc1ccc2sc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205842924 1091376835 /nfs/dbraw/zinc/37/68/35/1091376835.db2.gz PWQXTHPIYPXVEK-OCCSQVGLSA-N 2 2 304.459 3.469 20 0 DGADLP COc1ccc2sc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205842924 1091376845 /nfs/dbraw/zinc/37/68/45/1091376845.db2.gz PWQXTHPIYPXVEK-OCCSQVGLSA-N 2 2 304.459 3.469 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001138970806 1091397999 /nfs/dbraw/zinc/39/79/99/1091397999.db2.gz YACLNDDBIPOLOQ-IEBWSBKVSA-N 2 2 302.462 3.105 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001138970806 1091398011 /nfs/dbraw/zinc/39/80/11/1091398011.db2.gz YACLNDDBIPOLOQ-IEBWSBKVSA-N 2 2 302.462 3.105 20 0 DGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1OCC ZINC001138974969 1091401520 /nfs/dbraw/zinc/40/15/20/1091401520.db2.gz VVQHWPHUSDKEAD-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1OCC ZINC001138974969 1091401526 /nfs/dbraw/zinc/40/15/26/1091401526.db2.gz VVQHWPHUSDKEAD-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(C(F)(F)F)c1 ZINC001205913762 1091408010 /nfs/dbraw/zinc/40/80/10/1091408010.db2.gz JOOBTCMVARGLAM-DGCLKSJQSA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(C(F)(F)F)c1 ZINC001205913762 1091408014 /nfs/dbraw/zinc/40/80/14/1091408014.db2.gz JOOBTCMVARGLAM-DGCLKSJQSA-N 2 2 316.367 3.273 20 0 DGADLP COCC[N@H+](Cc1cccc(OC(C)C)c1)C1CC[NH+](C)CC1 ZINC001138986115 1091409053 /nfs/dbraw/zinc/40/90/53/1091409053.db2.gz AFIFPJFSDNSWPE-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP COCC[N@@H+](Cc1cccc(OC(C)C)c1)C1CC[NH+](C)CC1 ZINC001138986115 1091409062 /nfs/dbraw/zinc/40/90/62/1091409062.db2.gz AFIFPJFSDNSWPE-UHFFFAOYSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205933031 1091420938 /nfs/dbraw/zinc/42/09/38/1091420938.db2.gz WDOGSAZYHUVPIB-CYBMUJFWSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205933031 1091420939 /nfs/dbraw/zinc/42/09/39/1091420939.db2.gz WDOGSAZYHUVPIB-CYBMUJFWSA-N 2 2 302.340 3.207 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139052769 1091431131 /nfs/dbraw/zinc/43/11/31/1091431131.db2.gz NOPATGTYVZFCNL-ZWKOTPCHSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139052769 1091431137 /nfs/dbraw/zinc/43/11/37/1091431137.db2.gz NOPATGTYVZFCNL-ZWKOTPCHSA-N 2 2 316.489 3.387 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc4ccccc4o3)CC2)nc(C)[nH+]1 ZINC001139066118 1091436208 /nfs/dbraw/zinc/43/62/08/1091436208.db2.gz QCFNRSYZRMGJNE-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001205981782 1091436258 /nfs/dbraw/zinc/43/62/58/1091436258.db2.gz HDLUYPCLYPOULM-BDAKNGLRSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001205981782 1091436263 /nfs/dbraw/zinc/43/62/63/1091436263.db2.gz HDLUYPCLYPOULM-BDAKNGLRSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc3cc(Br)ccc3c2)C[C@H]1[NH3+] ZINC001206065168 1091476137 /nfs/dbraw/zinc/47/61/37/1091476137.db2.gz PJGOKBKNYOQZKA-BDJLRTHQSA-N 2 2 319.246 3.381 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc3cc(Br)ccc3c2)C[C@H]1[NH3+] ZINC001206065168 1091476141 /nfs/dbraw/zinc/47/61/41/1091476141.db2.gz PJGOKBKNYOQZKA-BDJLRTHQSA-N 2 2 319.246 3.381 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001206167512 1091518220 /nfs/dbraw/zinc/51/82/20/1091518220.db2.gz ZQUBJTGYGOPCMM-CABCVRRESA-N 2 2 321.827 3.458 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001206167512 1091518226 /nfs/dbraw/zinc/51/82/26/1091518226.db2.gz ZQUBJTGYGOPCMM-CABCVRRESA-N 2 2 321.827 3.458 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC4(CCCOC4)CC3)cc2)c[nH+]1 ZINC001139360799 1091535786 /nfs/dbraw/zinc/53/57/86/1091535786.db2.gz IFGZAHSNOONDBP-UHFFFAOYSA-N 2 2 311.429 3.265 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)CC[C@H]1F ZINC001206212502 1091538494 /nfs/dbraw/zinc/53/84/94/1091538494.db2.gz RUXPJRMQPVQBBI-ZIAGYGMSSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)CC[C@H]1F ZINC001206212502 1091538502 /nfs/dbraw/zinc/53/85/02/1091538502.db2.gz RUXPJRMQPVQBBI-ZIAGYGMSSA-N 2 2 307.800 3.149 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001206276571 1091560488 /nfs/dbraw/zinc/56/04/88/1091560488.db2.gz GRKCHRRRSSJVPB-CYBMUJFWSA-N 2 2 317.383 3.068 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001206276571 1091560494 /nfs/dbraw/zinc/56/04/94/1091560494.db2.gz GRKCHRRRSSJVPB-CYBMUJFWSA-N 2 2 317.383 3.068 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139525872 1091586074 /nfs/dbraw/zinc/58/60/74/1091586074.db2.gz IFLBIUSNCHOTIB-KDURUIRLSA-N 2 2 307.441 3.132 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139525872 1091586085 /nfs/dbraw/zinc/58/60/85/1091586085.db2.gz IFLBIUSNCHOTIB-KDURUIRLSA-N 2 2 307.441 3.132 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139525872 1091586095 /nfs/dbraw/zinc/58/60/95/1091586095.db2.gz IFLBIUSNCHOTIB-KDURUIRLSA-N 2 2 307.441 3.132 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)nc3)C[C@@H]2C1 ZINC001139525872 1091586105 /nfs/dbraw/zinc/58/61/05/1091586105.db2.gz IFLBIUSNCHOTIB-KDURUIRLSA-N 2 2 307.441 3.132 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001206351791 1091591696 /nfs/dbraw/zinc/59/16/96/1091591696.db2.gz IHISPSNXHUPBLA-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001206351791 1091591701 /nfs/dbraw/zinc/59/17/01/1091591701.db2.gz IHISPSNXHUPBLA-KRWDZBQOSA-N 2 2 319.449 3.463 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC001139548512 1091599012 /nfs/dbraw/zinc/59/90/12/1091599012.db2.gz IEQQFXSLEKLCLW-UHFFFAOYSA-N 2 2 316.836 3.177 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001206361580 1091599138 /nfs/dbraw/zinc/59/91/38/1091599138.db2.gz JBBIOLJJOFYHSF-LJQANCHMSA-N 2 2 315.436 3.189 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001206361580 1091599147 /nfs/dbraw/zinc/59/91/47/1091599147.db2.gz JBBIOLJJOFYHSF-LJQANCHMSA-N 2 2 315.436 3.189 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)ccc1OC(C)C ZINC001206370601 1091603586 /nfs/dbraw/zinc/60/35/86/1091603586.db2.gz NETOTXJDFCCPCA-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)ccc1OC(C)C ZINC001206370601 1091603590 /nfs/dbraw/zinc/60/35/90/1091603590.db2.gz NETOTXJDFCCPCA-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001206575341 1091674711 /nfs/dbraw/zinc/67/47/11/1091674711.db2.gz WCEQCFBOONDGCS-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001206575341 1091674717 /nfs/dbraw/zinc/67/47/17/1091674717.db2.gz WCEQCFBOONDGCS-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP C[N@H+](Cc1ccnc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139835209 1091686204 /nfs/dbraw/zinc/68/62/04/1091686204.db2.gz PAOXPIZJVSZVKC-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP C[N@@H+](Cc1ccnc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139835209 1091686209 /nfs/dbraw/zinc/68/62/09/1091686209.db2.gz PAOXPIZJVSZVKC-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP COc1c(Cl)ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206616830 1091690797 /nfs/dbraw/zinc/69/07/97/1091690797.db2.gz QWLMWHMDNLRLLN-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1c(Cl)ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206616830 1091690801 /nfs/dbraw/zinc/69/08/01/1091690801.db2.gz QWLMWHMDNLRLLN-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206623268 1091693247 /nfs/dbraw/zinc/69/32/47/1091693247.db2.gz KRLNRQKWICINPT-GFCCVEGCSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206623268 1091693250 /nfs/dbraw/zinc/69/32/50/1091693250.db2.gz KRLNRQKWICINPT-GFCCVEGCSA-N 2 2 316.367 3.275 20 0 DGADLP C[C@@]1(F)CCCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206684586 1091700923 /nfs/dbraw/zinc/70/09/23/1091700923.db2.gz UPUDZHFSMVOUQS-LJQANCHMSA-N 2 2 320.452 3.233 20 0 DGADLP C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206684586 1091700927 /nfs/dbraw/zinc/70/09/27/1091700927.db2.gz UPUDZHFSMVOUQS-LJQANCHMSA-N 2 2 320.452 3.233 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C(F)(F)F)ccc3C)C[C@@H]2C1 ZINC001139888860 1091703679 /nfs/dbraw/zinc/70/36/79/1091703679.db2.gz NHBLJCODFXDECJ-GJZGRUSLSA-N 2 2 312.379 3.397 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934116 1091718146 /nfs/dbraw/zinc/71/81/46/1091718146.db2.gz DLHCDRZZVYOYGX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934116 1091718151 /nfs/dbraw/zinc/71/81/51/1091718151.db2.gz DLHCDRZZVYOYGX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934116 1091718154 /nfs/dbraw/zinc/71/81/54/1091718154.db2.gz DLHCDRZZVYOYGX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139934116 1091718160 /nfs/dbraw/zinc/71/81/60/1091718160.db2.gz DLHCDRZZVYOYGX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP C[N@@H+](Cc1sc(Cl)nc1Cl)CC1CC[NH+](C)CC1 ZINC001139954386 1091722455 /nfs/dbraw/zinc/72/24/55/1091722455.db2.gz AHXPLRIYHICAAA-UHFFFAOYSA-N 2 2 308.278 3.224 20 0 DGADLP C[N@H+](Cc1sc(Cl)nc1Cl)CC1CC[NH+](C)CC1 ZINC001139954386 1091722458 /nfs/dbraw/zinc/72/24/58/1091722458.db2.gz AHXPLRIYHICAAA-UHFFFAOYSA-N 2 2 308.278 3.224 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001140021125 1091741155 /nfs/dbraw/zinc/74/11/55/1091741155.db2.gz HURAFZWWQNSUHS-LJQANCHMSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001140021125 1091741161 /nfs/dbraw/zinc/74/11/61/1091741161.db2.gz HURAFZWWQNSUHS-LJQANCHMSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001140027040 1091744012 /nfs/dbraw/zinc/74/40/12/1091744012.db2.gz VUYGKWIIFHTMSQ-IBGZPJMESA-N 2 2 311.429 3.183 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001140027040 1091744015 /nfs/dbraw/zinc/74/40/15/1091744015.db2.gz VUYGKWIIFHTMSQ-IBGZPJMESA-N 2 2 311.429 3.183 20 0 DGADLP COCCC1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140028121 1091744572 /nfs/dbraw/zinc/74/45/72/1091744572.db2.gz LTPRIBORUHNBCY-UHFFFAOYSA-N 2 2 313.445 3.429 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC001206800177 1091745704 /nfs/dbraw/zinc/74/57/04/1091745704.db2.gz IOTPOWCOOOIEHE-VQIMIIECSA-N 2 2 318.509 3.235 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC001206800177 1091745713 /nfs/dbraw/zinc/74/57/13/1091745713.db2.gz IOTPOWCOOOIEHE-VQIMIIECSA-N 2 2 318.509 3.235 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140236961 1091806153 /nfs/dbraw/zinc/80/61/53/1091806153.db2.gz PMUAHGNAAPTKJJ-HNNXBMFYSA-N 2 2 323.396 3.230 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140236961 1091806163 /nfs/dbraw/zinc/80/61/63/1091806163.db2.gz PMUAHGNAAPTKJJ-HNNXBMFYSA-N 2 2 323.396 3.230 20 0 DGADLP COc1cncc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001207000414 1091815938 /nfs/dbraw/zinc/81/59/38/1091815938.db2.gz LMZQUQOLSWYALW-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COc1cncc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001207000414 1091815949 /nfs/dbraw/zinc/81/59/49/1091815949.db2.gz LMZQUQOLSWYALW-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP C[N@H+](Cc1cnc(-c2cccc(F)c2)s1)C1CC[NH+](C)CC1 ZINC001140416961 1091858872 /nfs/dbraw/zinc/85/88/72/1091858872.db2.gz VXWZILXKDUOPSN-UHFFFAOYSA-N 2 2 319.449 3.475 20 0 DGADLP C[N@@H+](Cc1cnc(-c2cccc(F)c2)s1)C1CC[NH+](C)CC1 ZINC001140416961 1091858878 /nfs/dbraw/zinc/85/88/78/1091858878.db2.gz VXWZILXKDUOPSN-UHFFFAOYSA-N 2 2 319.449 3.475 20 0 DGADLP Cc1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162801 1091872355 /nfs/dbraw/zinc/87/23/55/1091872355.db2.gz YVMRDQYTWKCFPX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162801 1091872361 /nfs/dbraw/zinc/87/23/61/1091872361.db2.gz YVMRDQYTWKCFPX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162801 1091872370 /nfs/dbraw/zinc/87/23/70/1091872370.db2.gz YVMRDQYTWKCFPX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001207162801 1091872376 /nfs/dbraw/zinc/87/23/76/1091872376.db2.gz YVMRDQYTWKCFPX-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)nc1 ZINC001207259689 1091902069 /nfs/dbraw/zinc/90/20/69/1091902069.db2.gz OKKFHBLRJALAEE-OALUTQOASA-N 2 2 313.489 3.416 20 0 DGADLP CC/C=C\CC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001276526524 1091936851 /nfs/dbraw/zinc/93/68/51/1091936851.db2.gz VBAJSSUPPOUQGL-RAEMOODJSA-N 3 2 316.493 3.264 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383802 1091949857 /nfs/dbraw/zinc/94/98/57/1091949857.db2.gz HKYWLNMIQOZIME-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383802 1091949862 /nfs/dbraw/zinc/94/98/62/1091949862.db2.gz HKYWLNMIQOZIME-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383802 1091949871 /nfs/dbraw/zinc/94/98/71/1091949871.db2.gz HKYWLNMIQOZIME-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(Br)cc3)C[C@H]21 ZINC001207383802 1091949876 /nfs/dbraw/zinc/94/98/76/1091949876.db2.gz HKYWLNMIQOZIME-GOEBONIOSA-N 2 2 323.278 3.018 20 0 DGADLP COc1cccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207434812 1091969637 /nfs/dbraw/zinc/96/96/37/1091969637.db2.gz WYCGJWHOCWAUIZ-SFHVURJKSA-N 2 2 312.413 3.094 20 0 DGADLP COc1cccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207434812 1091969642 /nfs/dbraw/zinc/96/96/42/1091969642.db2.gz WYCGJWHOCWAUIZ-SFHVURJKSA-N 2 2 312.413 3.094 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724921 1091974874 /nfs/dbraw/zinc/97/48/74/1091974874.db2.gz UINAWJPQRGQCFC-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724921 1091974880 /nfs/dbraw/zinc/97/48/80/1091974880.db2.gz UINAWJPQRGQCFC-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724921 1091974883 /nfs/dbraw/zinc/97/48/83/1091974883.db2.gz UINAWJPQRGQCFC-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(Cl)ncc4ccccc43)C2)C1 ZINC001140724921 1091974889 /nfs/dbraw/zinc/97/48/89/1091974889.db2.gz UINAWJPQRGQCFC-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP COc1ccccc1CC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001207457653 1091975226 /nfs/dbraw/zinc/97/52/26/1091975226.db2.gz AGLKMOPXQARDHD-UHFFFAOYSA-N 2 2 320.452 3.136 20 0 DGADLP C[N@@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)[C@@H](c2ccccc2)C1 ZINC001140800165 1092006895 /nfs/dbraw/zinc/00/68/95/1092006895.db2.gz XHDXDGOCGGRTHF-LJQANCHMSA-N 2 2 306.413 3.052 20 0 DGADLP C[N@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)[C@@H](c2ccccc2)C1 ZINC001140800165 1092006903 /nfs/dbraw/zinc/00/69/03/1092006903.db2.gz XHDXDGOCGGRTHF-LJQANCHMSA-N 2 2 306.413 3.052 20 0 DGADLP CN(CC[N@H+](C)Cc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805842 1092008970 /nfs/dbraw/zinc/00/89/70/1092008970.db2.gz NOJAAEZCKBIGDN-UHFFFAOYSA-N 2 2 308.429 3.127 20 0 DGADLP CN(CC[N@@H+](C)Cc1ccccc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805842 1092008980 /nfs/dbraw/zinc/00/89/80/1092008980.db2.gz NOJAAEZCKBIGDN-UHFFFAOYSA-N 2 2 308.429 3.127 20 0 DGADLP CCOC(=O)C1(CC)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806040 1092009151 /nfs/dbraw/zinc/00/91/51/1092009151.db2.gz UZKMBJCIJRZUAK-UHFFFAOYSA-N 2 2 315.417 3.118 20 0 DGADLP Fc1cccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140805998 1092009898 /nfs/dbraw/zinc/00/98/98/1092009898.db2.gz TXBCBPGLFCSBLJ-UHFFFAOYSA-N 2 2 310.376 3.024 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806504 1092010634 /nfs/dbraw/zinc/01/06/34/1092010634.db2.gz KYHJQMISYWBQDT-MRXNPFEDSA-N 2 2 320.440 3.269 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806504 1092010644 /nfs/dbraw/zinc/01/06/44/1092010644.db2.gz KYHJQMISYWBQDT-MRXNPFEDSA-N 2 2 320.440 3.269 20 0 DGADLP C[C@H]1CN(Cc2c[nH]c3cc[nH+]cc23)CC[N@@H+]1Cc1ccccc1 ZINC001140804972 1092012471 /nfs/dbraw/zinc/01/24/71/1092012471.db2.gz MIDSNJKWDGENCM-INIZCTEOSA-N 2 2 320.440 3.269 20 0 DGADLP C[C@H]1CN(Cc2c[nH]c3cc[nH+]cc23)CC[N@H+]1Cc1ccccc1 ZINC001140804972 1092012482 /nfs/dbraw/zinc/01/24/82/1092012482.db2.gz MIDSNJKWDGENCM-INIZCTEOSA-N 2 2 320.440 3.269 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001140807281 1092013844 /nfs/dbraw/zinc/01/38/44/1092013844.db2.gz TVWXZHHBHHHDCQ-ROUUACIJSA-N 2 2 318.424 3.022 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001140807281 1092013863 /nfs/dbraw/zinc/01/38/63/1092013863.db2.gz TVWXZHHBHHHDCQ-ROUUACIJSA-N 2 2 318.424 3.022 20 0 DGADLP CC[N@H+](Cc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001140918444 1092061480 /nfs/dbraw/zinc/06/14/80/1092061480.db2.gz QGLSKSJIFVSKNB-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1cnccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001140918444 1092061488 /nfs/dbraw/zinc/06/14/88/1092061488.db2.gz QGLSKSJIFVSKNB-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1F ZINC001207763295 1092093354 /nfs/dbraw/zinc/09/33/54/1092093354.db2.gz NTTWQZBNQXQKHN-OAHLLOKOSA-N 2 2 322.468 3.334 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1F ZINC001207763295 1092093363 /nfs/dbraw/zinc/09/33/63/1092093363.db2.gz NTTWQZBNQXQKHN-OAHLLOKOSA-N 2 2 322.468 3.334 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1Br ZINC001141092717 1092135083 /nfs/dbraw/zinc/13/50/83/1092135083.db2.gz CCRBDKKNXCVYHU-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1Br ZINC001141092717 1092135088 /nfs/dbraw/zinc/13/50/88/1092135088.db2.gz CCRBDKKNXCVYHU-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207860468 1092123151 /nfs/dbraw/zinc/12/31/51/1092123151.db2.gz BONCOGKNLHOCDX-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207860468 1092123157 /nfs/dbraw/zinc/12/31/57/1092123157.db2.gz BONCOGKNLHOCDX-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1Br ZINC001141092717 1092135070 /nfs/dbraw/zinc/13/50/70/1092135070.db2.gz CCRBDKKNXCVYHU-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1Br ZINC001141092717 1092135075 /nfs/dbraw/zinc/13/50/75/1092135075.db2.gz CCRBDKKNXCVYHU-INIZCTEOSA-N 2 2 323.278 3.285 20 0 DGADLP CC[N@H+](Cc1ccc(-c2ncccn2)cc1)C1CC[NH+](C)CC1 ZINC001141189393 1092167916 /nfs/dbraw/zinc/16/79/16/1092167916.db2.gz UITAHTLBAHSNND-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](Cc1ccc(-c2ncccn2)cc1)C1CC[NH+](C)CC1 ZINC001141189393 1092167918 /nfs/dbraw/zinc/16/79/18/1092167918.db2.gz UITAHTLBAHSNND-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001141226987 1092185858 /nfs/dbraw/zinc/18/58/58/1092185858.db2.gz LHDOZTAHINMDOU-WOJBJXKFSA-N 2 2 321.468 3.208 20 0 DGADLP C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244430 1092192247 /nfs/dbraw/zinc/19/22/47/1092192247.db2.gz NHEYKITZBIXDMU-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244430 1092192250 /nfs/dbraw/zinc/19/22/50/1092192250.db2.gz NHEYKITZBIXDMU-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](CCCC1CCCC1)C2 ZINC001208088406 1092193680 /nfs/dbraw/zinc/19/36/80/1092193680.db2.gz FQMTVVIOKDARNT-UHFFFAOYSA-N 2 2 316.493 3.265 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](CCCC1CCCC1)C2 ZINC001208088406 1092193685 /nfs/dbraw/zinc/19/36/85/1092193685.db2.gz FQMTVVIOKDARNT-UHFFFAOYSA-N 2 2 316.493 3.265 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001208111279 1092200551 /nfs/dbraw/zinc/20/05/51/1092200551.db2.gz JJKGERKWKPOLSV-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001208111279 1092200560 /nfs/dbraw/zinc/20/05/60/1092200560.db2.gz JJKGERKWKPOLSV-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC001208119015 1092204593 /nfs/dbraw/zinc/20/45/93/1092204593.db2.gz UXYWHPAPSCTFKI-CQSZACIVSA-N 2 2 318.367 3.364 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001208119015 1092204603 /nfs/dbraw/zinc/20/46/03/1092204603.db2.gz UXYWHPAPSCTFKI-CQSZACIVSA-N 2 2 318.367 3.364 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3coc4ccc(F)cc34)C[C@H]2C1 ZINC001141856358 1092348906 /nfs/dbraw/zinc/34/89/06/1092348906.db2.gz CJZBEYHQLGOPHM-ZIAGYGMSSA-N 2 2 302.393 3.346 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001208599903 1092420380 /nfs/dbraw/zinc/42/03/80/1092420380.db2.gz DZGZTOFFWJVGSS-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001208599903 1092420385 /nfs/dbraw/zinc/42/03/85/1092420385.db2.gz DZGZTOFFWJVGSS-UHFFFAOYSA-N 2 2 324.472 3.098 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001208604423 1092422344 /nfs/dbraw/zinc/42/23/44/1092422344.db2.gz ORKWKMLROABSLC-OAHLLOKOSA-N 2 2 318.436 3.062 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001208604423 1092422355 /nfs/dbraw/zinc/42/23/55/1092422355.db2.gz ORKWKMLROABSLC-OAHLLOKOSA-N 2 2 318.436 3.062 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208619936 1092431994 /nfs/dbraw/zinc/43/19/94/1092431994.db2.gz ZKPUNSMFWNDUEA-QAPCUYQASA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@@H]2CSCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208619936 1092431999 /nfs/dbraw/zinc/43/19/99/1092431999.db2.gz ZKPUNSMFWNDUEA-QAPCUYQASA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@@H]2CSCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001208619936 1092432004 /nfs/dbraw/zinc/43/20/04/1092432004.db2.gz ZKPUNSMFWNDUEA-QAPCUYQASA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@@H]2CSCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001208619936 1092432013 /nfs/dbraw/zinc/43/20/13/1092432013.db2.gz ZKPUNSMFWNDUEA-QAPCUYQASA-N 2 2 320.502 3.127 20 0 DGADLP c1c(CCNc2cc[nH+]c(N3CCCCC3)c2)[nH+]c2ccccn12 ZINC001169003827 1092483916 /nfs/dbraw/zinc/48/39/16/1092483916.db2.gz IEULDAIMYUWIRB-UHFFFAOYSA-N 2 2 321.428 3.374 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814993 1092522970 /nfs/dbraw/zinc/52/29/70/1092522970.db2.gz MZLQOWYDCHWGQA-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814993 1092522982 /nfs/dbraw/zinc/52/29/82/1092522982.db2.gz MZLQOWYDCHWGQA-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814993 1092522999 /nfs/dbraw/zinc/52/29/99/1092522999.db2.gz MZLQOWYDCHWGQA-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@@H]21 ZINC001208814993 1092523008 /nfs/dbraw/zinc/52/30/08/1092523008.db2.gz MZLQOWYDCHWGQA-UXHICEINSA-N 2 2 316.489 3.400 20 0 DGADLP CSc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc(C)[nH+]1 ZINC001169138267 1092548861 /nfs/dbraw/zinc/54/88/61/1092548861.db2.gz OYDXHAOBSADWNS-MLGOLLRUSA-N 2 2 308.495 3.463 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cn1 ZINC001169108947 1092553107 /nfs/dbraw/zinc/55/31/07/1092553107.db2.gz WVMYYVFEKZBZOF-RUZUBIRVSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC001169108947 1092553116 /nfs/dbraw/zinc/55/31/16/1092553116.db2.gz WVMYYVFEKZBZOF-RUZUBIRVSA-N 2 2 324.266 3.120 20 0 DGADLP COCC[N@H+](CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001208872210 1092555957 /nfs/dbraw/zinc/55/59/57/1092555957.db2.gz ZCPWDOSOFMOVRT-UHFFFAOYSA-N 2 2 324.896 3.315 20 0 DGADLP COCC[N@@H+](CCCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001208872210 1092555968 /nfs/dbraw/zinc/55/59/68/1092555968.db2.gz ZCPWDOSOFMOVRT-UHFFFAOYSA-N 2 2 324.896 3.315 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208882334 1092563247 /nfs/dbraw/zinc/56/32/47/1092563247.db2.gz LLXPCIDLKMTZFE-LJQANCHMSA-N 2 2 318.436 3.415 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208882334 1092563257 /nfs/dbraw/zinc/56/32/57/1092563257.db2.gz LLXPCIDLKMTZFE-LJQANCHMSA-N 2 2 318.436 3.415 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC001208929471 1092594132 /nfs/dbraw/zinc/59/41/32/1092594132.db2.gz STNOTZZZLFRDNX-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC001208929471 1092594137 /nfs/dbraw/zinc/59/41/37/1092594137.db2.gz STNOTZZZLFRDNX-LMMKCTJWSA-N 2 2 302.462 3.008 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@H]3CCCC(F)(F)C3)c2)C1 ZINC001169217464 1092595527 /nfs/dbraw/zinc/59/55/27/1092595527.db2.gz GGOZDVUEFOINLS-ZBFHGGJFSA-N 2 2 309.404 3.209 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCCC(F)(F)C3)c2)C1 ZINC001169217464 1092595529 /nfs/dbraw/zinc/59/55/29/1092595529.db2.gz GGOZDVUEFOINLS-ZBFHGGJFSA-N 2 2 309.404 3.209 20 0 DGADLP CC[N@H+](Cc1cc(-c2ccccc2)nn1C)C1CC[NH+](C)CC1 ZINC001143010443 1092604547 /nfs/dbraw/zinc/60/45/47/1092604547.db2.gz KAMFBCOTFRAGIJ-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP CC[N@@H+](Cc1cc(-c2ccccc2)nn1C)C1CC[NH+](C)CC1 ZINC001143010443 1092604549 /nfs/dbraw/zinc/60/45/49/1092604549.db2.gz KAMFBCOTFRAGIJ-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001169254237 1092619367 /nfs/dbraw/zinc/61/93/67/1092619367.db2.gz AFHQJOYWIHYTIC-UHFFFAOYSA-N 2 2 306.494 3.142 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209096906 1092651521 /nfs/dbraw/zinc/65/15/21/1092651521.db2.gz OEIVBQQCMPGXJN-QZTJIDSGSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209096906 1092651523 /nfs/dbraw/zinc/65/15/23/1092651523.db2.gz OEIVBQQCMPGXJN-QZTJIDSGSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209096906 1092651524 /nfs/dbraw/zinc/65/15/24/1092651524.db2.gz OEIVBQQCMPGXJN-QZTJIDSGSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209096906 1092651526 /nfs/dbraw/zinc/65/15/26/1092651526.db2.gz OEIVBQQCMPGXJN-QZTJIDSGSA-N 2 2 324.509 3.306 20 0 DGADLP CC[N@@H+](CCc1ccccc1C(F)(F)F)CCn1cc[nH+]c1 ZINC001209281460 1092722721 /nfs/dbraw/zinc/72/27/21/1092722721.db2.gz GGGIAMSYZIQKJY-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP CC[N@H+](CCc1ccccc1C(F)(F)F)CCn1cc[nH+]c1 ZINC001209281460 1092722727 /nfs/dbraw/zinc/72/27/27/1092722727.db2.gz GGGIAMSYZIQKJY-UHFFFAOYSA-N 2 2 311.351 3.467 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206633130 1092765793 /nfs/dbraw/zinc/76/57/93/1092765793.db2.gz UGFMHAMKHWGSRN-LBPRGKRZSA-N 2 2 314.832 3.439 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206633130 1092765802 /nfs/dbraw/zinc/76/58/02/1092765802.db2.gz UGFMHAMKHWGSRN-LBPRGKRZSA-N 2 2 314.832 3.439 20 0 DGADLP CCCc1noc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC001209450806 1092779112 /nfs/dbraw/zinc/77/91/12/1092779112.db2.gz MBKWUDIPKSYQJL-UHFFFAOYSA-N 2 2 320.481 3.078 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)[nH]1 ZINC001209571272 1092831454 /nfs/dbraw/zinc/83/14/54/1092831454.db2.gz BXGSAXSQTLBSGJ-KDURUIRLSA-N 2 2 309.457 3.195 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)[nH]1 ZINC001209571272 1092831461 /nfs/dbraw/zinc/83/14/61/1092831461.db2.gz BXGSAXSQTLBSGJ-KDURUIRLSA-N 2 2 309.457 3.195 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)[nH]1 ZINC001209571272 1092831467 /nfs/dbraw/zinc/83/14/67/1092831467.db2.gz BXGSAXSQTLBSGJ-KDURUIRLSA-N 2 2 309.457 3.195 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)[nH]1 ZINC001209571272 1092831476 /nfs/dbraw/zinc/83/14/76/1092831476.db2.gz BXGSAXSQTLBSGJ-KDURUIRLSA-N 2 2 309.457 3.195 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC001209781060 1092920635 /nfs/dbraw/zinc/92/06/35/1092920635.db2.gz DDKSEUUHLQXSHG-QGZVFWFLSA-N 2 2 311.429 3.109 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC001209781060 1092920650 /nfs/dbraw/zinc/92/06/50/1092920650.db2.gz DDKSEUUHLQXSHG-QGZVFWFLSA-N 2 2 311.429 3.109 20 0 DGADLP c1cn(-c2cccc(CN3CC[NH2+]C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC001210215376 1093080157 /nfs/dbraw/zinc/08/01/57/1093080157.db2.gz HGLFMHBNQDFPBK-HXUWFJFHSA-N 2 2 318.424 3.019 20 0 DGADLP CCCC[C@H](CC)CN1CCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001276695845 1093408707 /nfs/dbraw/zinc/40/87/07/1093408707.db2.gz GVLISZIRQGYENV-SFHVURJKSA-N 2 2 321.553 3.305 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406000 1093434311 /nfs/dbraw/zinc/43/43/11/1093434311.db2.gz SIBPDUAWIFEXHO-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406000 1093434315 /nfs/dbraw/zinc/43/43/15/1093434315.db2.gz SIBPDUAWIFEXHO-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1c[nH+]cc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)c1C ZINC001213528344 1093604383 /nfs/dbraw/zinc/60/43/83/1093604383.db2.gz BHAHTINSUSCBQW-UHFFFAOYSA-N 2 2 312.417 3.310 20 0 DGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001215190488 1093936171 /nfs/dbraw/zinc/93/61/71/1093936171.db2.gz ZTGDQQOFDMRLSR-RHSMWYFYSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1cccc(F)c1 ZINC001119780108 1094289282 /nfs/dbraw/zinc/28/92/82/1094289282.db2.gz FJLFAORDRYWOJL-AATRIKPKSA-N 2 2 322.343 3.367 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001119963097 1094323344 /nfs/dbraw/zinc/32/33/44/1094323344.db2.gz BSVVQNNNABVARD-YOEHRIQHSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001119963097 1094323352 /nfs/dbraw/zinc/32/33/52/1094323352.db2.gz BSVVQNNNABVARD-YOEHRIQHSA-N 2 2 322.880 3.114 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nnc(CCC3CCCCC3)o2)cc1 ZINC001217698387 1094475485 /nfs/dbraw/zinc/47/54/85/1094475485.db2.gz BURUUULKAGRNAF-MRXNPFEDSA-N 2 2 314.433 3.208 20 0 DGADLP CCc1cc(NC2CCN(c3cc[nH+]cc3)CC2)nc(CC)[nH+]1 ZINC001336900071 1094778089 /nfs/dbraw/zinc/77/80/89/1094778089.db2.gz RHDGIISIBNYQCR-UHFFFAOYSA-N 2 2 311.433 3.077 20 0 DGADLP Cc1ccc2ccccc2c1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218812064 1094874652 /nfs/dbraw/zinc/87/46/52/1094874652.db2.gz LXKYXXSAIHVJMN-SFHVURJKSA-N 2 2 319.408 3.359 20 0 DGADLP Cc1cc(C)c(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c(C)[nH+]1 ZINC001219009672 1094927222 /nfs/dbraw/zinc/92/72/22/1094927222.db2.gz JEFFRNKTFSPFMW-UHFFFAOYSA-N 2 2 318.465 3.391 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171012319 1095125155 /nfs/dbraw/zinc/12/51/55/1095125155.db2.gz OSNMPEBQSYDSCO-KRWDZBQOSA-N 2 2 304.453 3.488 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171012319 1095125160 /nfs/dbraw/zinc/12/51/60/1095125160.db2.gz OSNMPEBQSYDSCO-KRWDZBQOSA-N 2 2 304.453 3.488 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCC2 ZINC000315864269 1095139899 /nfs/dbraw/zinc/13/98/99/1095139899.db2.gz JMFMGVDZNSSYME-HRCADAONSA-N 2 2 305.466 3.235 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316838765 1095196142 /nfs/dbraw/zinc/19/61/42/1095196142.db2.gz QXBSWLULSCYQDE-KFKAGJAMSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316838765 1095196147 /nfs/dbraw/zinc/19/61/47/1095196147.db2.gz QXBSWLULSCYQDE-KFKAGJAMSA-N 2 2 302.462 3.324 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056015 1095213266 /nfs/dbraw/zinc/21/32/66/1095213266.db2.gz JOSHNGFMCYXRPU-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056015 1095213276 /nfs/dbraw/zinc/21/32/76/1095213276.db2.gz JOSHNGFMCYXRPU-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056015 1095213290 /nfs/dbraw/zinc/21/32/90/1095213290.db2.gz JOSHNGFMCYXRPU-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C[C@@H]21 ZINC001171056015 1095213300 /nfs/dbraw/zinc/21/33/00/1095213300.db2.gz JOSHNGFMCYXRPU-VKJFTORMSA-N 2 2 304.865 3.223 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCCCC2CCCCC2)cc1 ZINC001221332783 1095245331 /nfs/dbraw/zinc/24/53/31/1095245331.db2.gz MMYILSPXXQZTHK-GOSISDBHSA-N 2 2 317.477 3.126 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC001136957315 1095252812 /nfs/dbraw/zinc/25/28/12/1095252812.db2.gz AIHKWDMCNYXOCM-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC001338449364 1095308167 /nfs/dbraw/zinc/30/81/67/1095308167.db2.gz JOWVETNRKYPYSB-OAHLLOKOSA-N 2 2 323.456 3.029 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccc(C)cc1 ZINC001116061927 1095447723 /nfs/dbraw/zinc/44/77/23/1095447723.db2.gz YVVCEEOTJXLSSH-UHFFFAOYSA-N 2 2 320.396 3.455 20 0 DGADLP Clc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cnc2ccccc12 ZINC001222153902 1095460504 /nfs/dbraw/zinc/46/05/04/1095460504.db2.gz CJKPTRPFJRWDBP-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cnc2ccccc12 ZINC001222153902 1095460511 /nfs/dbraw/zinc/46/05/11/1095460511.db2.gz CJKPTRPFJRWDBP-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222155199 1095463323 /nfs/dbraw/zinc/46/33/23/1095463323.db2.gz XPNGLBIQEZOMAF-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222155199 1095463325 /nfs/dbraw/zinc/46/33/25/1095463325.db2.gz XPNGLBIQEZOMAF-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP Oc1c(F)cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222166645 1095471365 /nfs/dbraw/zinc/47/13/65/1095471365.db2.gz ARKTXEZKSRGISC-SFHVURJKSA-N 2 2 324.415 3.416 20 0 DGADLP Oc1c(F)cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222166645 1095471368 /nfs/dbraw/zinc/47/13/68/1095471368.db2.gz ARKTXEZKSRGISC-SFHVURJKSA-N 2 2 324.415 3.416 20 0 DGADLP Cc1c[nH+]c2ccccc2c1NCCc1cn2ccccc2[nH+]1 ZINC001116184337 1095478504 /nfs/dbraw/zinc/47/85/04/1095478504.db2.gz AGNXOXQCDIMZSO-UHFFFAOYSA-N 2 2 302.381 3.267 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1F ZINC001222278230 1095524604 /nfs/dbraw/zinc/52/46/04/1095524604.db2.gz YMPJRSHINBSENK-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1F ZINC001222278230 1095524617 /nfs/dbraw/zinc/52/46/17/1095524617.db2.gz YMPJRSHINBSENK-GOSISDBHSA-N 2 2 306.425 3.190 20 0 DGADLP CCc1ncc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116444767 1095555802 /nfs/dbraw/zinc/55/58/02/1095555802.db2.gz GHPWCCJQQWIRMG-CQSZACIVSA-N 2 2 316.474 3.485 20 0 DGADLP CCc1ncc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116444767 1095555809 /nfs/dbraw/zinc/55/58/09/1095555809.db2.gz GHPWCCJQQWIRMG-CQSZACIVSA-N 2 2 316.474 3.485 20 0 DGADLP CCc1cnc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116555730 1095600389 /nfs/dbraw/zinc/60/03/89/1095600389.db2.gz USVXZNYMJRLRQS-AWEZNQCLSA-N 2 2 316.474 3.485 20 0 DGADLP CCc1cnc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001116555730 1095600397 /nfs/dbraw/zinc/60/03/97/1095600397.db2.gz USVXZNYMJRLRQS-AWEZNQCLSA-N 2 2 316.474 3.485 20 0 DGADLP C[C@@H](c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)n1cc[nH+]c1 ZINC001116583345 1095606701 /nfs/dbraw/zinc/60/67/01/1095606701.db2.gz RRHKXYDXJUSCCE-AWEZNQCLSA-N 2 2 323.400 3.138 20 0 DGADLP Fc1cc(F)cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595751 1095683806 /nfs/dbraw/zinc/68/38/06/1095683806.db2.gz IBKOFAJZUAASEU-GOSISDBHSA-N 2 2 314.379 3.154 20 0 DGADLP Fc1cc(F)cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595751 1095683810 /nfs/dbraw/zinc/68/38/10/1095683810.db2.gz IBKOFAJZUAASEU-GOSISDBHSA-N 2 2 314.379 3.154 20 0 DGADLP c1cnc2cccc(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1 ZINC001137625119 1095694200 /nfs/dbraw/zinc/69/42/00/1095694200.db2.gz HYXVNVRTVZEEDY-UHFFFAOYSA-N 2 2 307.441 3.153 20 0 DGADLP c1cnc2cccc(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1 ZINC001137625119 1095694205 /nfs/dbraw/zinc/69/42/05/1095694205.db2.gz HYXVNVRTVZEEDY-UHFFFAOYSA-N 2 2 307.441 3.153 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001137714861 1095719508 /nfs/dbraw/zinc/71/95/08/1095719508.db2.gz YCHKBPJSIONSJK-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001137714861 1095719522 /nfs/dbraw/zinc/71/95/22/1095719522.db2.gz YCHKBPJSIONSJK-CXAGYDPISA-N 2 2 303.837 3.205 20 0 DGADLP c1cn(-c2ccc(CN3CC4(CC[N@@H+]4C4CCCC4)C3)cc2)c[nH+]1 ZINC001276872638 1095904973 /nfs/dbraw/zinc/90/49/73/1095904973.db2.gz JXAKCRKZIQKHRS-UHFFFAOYSA-N 2 2 322.456 3.075 20 0 DGADLP c1cn(-c2ccc(CN3CC4(CC[N@H+]4C4CCCC4)C3)cc2)c[nH+]1 ZINC001276872638 1095904987 /nfs/dbraw/zinc/90/49/87/1095904987.db2.gz JXAKCRKZIQKHRS-UHFFFAOYSA-N 2 2 322.456 3.075 20 0 DGADLP Cc1cccc(N2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001276911740 1096036415 /nfs/dbraw/zinc/03/64/15/1096036415.db2.gz FZNDGYJDVLYQTD-KDURUIRLSA-N 2 2 324.472 3.040 20 0 DGADLP Cc1cccc(N2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001276911740 1096036426 /nfs/dbraw/zinc/03/64/26/1096036426.db2.gz FZNDGYJDVLYQTD-KDURUIRLSA-N 2 2 324.472 3.040 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001118815449 1096085105 /nfs/dbraw/zinc/08/51/05/1096085105.db2.gz JDJCRLGEANKFGG-ZDUSSCGKSA-N 2 2 319.836 3.234 20 0 DGADLP CCOC(=O)C[N@H+](CCC[NH3+])C1CCC2(CCCCC2)CC1 ZINC001246918230 1096193202 /nfs/dbraw/zinc/19/32/02/1096193202.db2.gz CQBHXZVUFFQRDP-UHFFFAOYSA-N 2 2 310.482 3.093 20 0 DGADLP CCOC(=O)C[N@@H+](CCC[NH3+])C1CCC2(CCCCC2)CC1 ZINC001246918230 1096193207 /nfs/dbraw/zinc/19/32/07/1096193207.db2.gz CQBHXZVUFFQRDP-UHFFFAOYSA-N 2 2 310.482 3.093 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@@H+]1C ZINC001119507831 1096215811 /nfs/dbraw/zinc/21/58/11/1096215811.db2.gz RDNPGFJAZZGKPH-DZGCQCFKSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@H+]1C ZINC001119507831 1096215815 /nfs/dbraw/zinc/21/58/15/1096215815.db2.gz RDNPGFJAZZGKPH-DZGCQCFKSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507831 1096215824 /nfs/dbraw/zinc/21/58/24/1096215824.db2.gz RDNPGFJAZZGKPH-DZGCQCFKSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507831 1096215828 /nfs/dbraw/zinc/21/58/28/1096215828.db2.gz RDNPGFJAZZGKPH-DZGCQCFKSA-N 2 2 312.404 3.245 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001119630549 1096237018 /nfs/dbraw/zinc/23/70/18/1096237018.db2.gz HANBAMMJRPOGTO-CABCVRRESA-N 2 2 320.502 3.218 20 0 DGADLP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001224967553 1096325834 /nfs/dbraw/zinc/32/58/34/1096325834.db2.gz WOTCCLKIWYICNL-HZPDHXFCSA-N 2 2 319.449 3.418 20 0 DGADLP CCOC(=[NH2+])CCCCO[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001224967553 1096325838 /nfs/dbraw/zinc/32/58/38/1096325838.db2.gz WOTCCLKIWYICNL-HZPDHXFCSA-N 2 2 319.449 3.418 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171388602 1096637779 /nfs/dbraw/zinc/63/77/79/1096637779.db2.gz PAKWISVJZCCNAA-DOMZBBRYSA-N 2 2 317.383 3.358 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000426162233 1096727459 /nfs/dbraw/zinc/72/74/59/1096727459.db2.gz QHEYIHZDJKYTNT-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000426162233 1096727465 /nfs/dbraw/zinc/72/74/65/1096727465.db2.gz QHEYIHZDJKYTNT-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001226783904 1096776597 /nfs/dbraw/zinc/77/65/97/1096776597.db2.gz HXDBYXAOOIYSAM-UHFFFAOYSA-N 2 2 314.351 3.303 20 0 DGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639585 1096949320 /nfs/dbraw/zinc/94/93/20/1096949320.db2.gz PUWMZUGPSRVGSS-GDBMZVCRSA-N 2 2 324.509 3.301 20 0 DGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639585 1096949322 /nfs/dbraw/zinc/94/93/22/1096949322.db2.gz PUWMZUGPSRVGSS-GDBMZVCRSA-N 2 2 324.509 3.301 20 0 DGADLP Fc1cccc2c1C[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001171776679 1096969364 /nfs/dbraw/zinc/96/93/64/1096969364.db2.gz ZJDIYALPFGMVBR-GOSISDBHSA-N 2 2 310.416 3.015 20 0 DGADLP Fc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001171805287 1096982501 /nfs/dbraw/zinc/98/25/01/1096982501.db2.gz MMJKNEVYRSOIGZ-QGZVFWFLSA-N 2 2 320.427 3.191 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCC(F)CC3)CC1)C2 ZINC001171805285 1096983306 /nfs/dbraw/zinc/98/33/06/1096983306.db2.gz MMJKNEVYRSOIGZ-KRWDZBQOSA-N 2 2 320.427 3.191 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171916957 1097000769 /nfs/dbraw/zinc/00/07/69/1097000769.db2.gz HUZYHKCDCFEMPR-JCYILVPMSA-N 2 2 324.509 3.207 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171916957 1097000773 /nfs/dbraw/zinc/00/07/73/1097000773.db2.gz HUZYHKCDCFEMPR-JCYILVPMSA-N 2 2 324.509 3.207 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC001171957731 1097004355 /nfs/dbraw/zinc/00/43/55/1097004355.db2.gz BNOHYXWANFXGKF-ZDUSSCGKSA-N 2 2 300.368 3.322 20 0 DGADLP C[N@H+](Cc1cncnc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991547 1097016377 /nfs/dbraw/zinc/01/63/77/1097016377.db2.gz ZWFOHVKJTLMVHH-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP C[N@@H+](Cc1cncnc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991547 1097016383 /nfs/dbraw/zinc/01/63/83/1097016383.db2.gz ZWFOHVKJTLMVHH-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1cncnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991547 1097016390 /nfs/dbraw/zinc/01/63/90/1097016390.db2.gz ZWFOHVKJTLMVHH-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1cncnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991547 1097016394 /nfs/dbraw/zinc/01/63/94/1097016394.db2.gz ZWFOHVKJTLMVHH-LJQANCHMSA-N 2 2 324.472 3.352 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2ccncn2)C3)cc1 ZINC001172066083 1097043455 /nfs/dbraw/zinc/04/34/55/1097043455.db2.gz TWGBWJBSHACNLR-OWZKRDHZSA-N 2 2 322.456 3.152 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2ccncn2)C3)cc1 ZINC001172066083 1097043460 /nfs/dbraw/zinc/04/34/60/1097043460.db2.gz TWGBWJBSHACNLR-OWZKRDHZSA-N 2 2 322.456 3.152 20 0 DGADLP C[C@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069502 1097045103 /nfs/dbraw/zinc/04/51/03/1097045103.db2.gz QNYQCUIMOOWLNR-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069502 1097045109 /nfs/dbraw/zinc/04/51/09/1097045109.db2.gz QNYQCUIMOOWLNR-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069502 1097045114 /nfs/dbraw/zinc/04/51/14/1097045114.db2.gz QNYQCUIMOOWLNR-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP C[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069502 1097045118 /nfs/dbraw/zinc/04/51/18/1097045118.db2.gz QNYQCUIMOOWLNR-IJXRJRJASA-N 2 2 314.473 3.293 20 0 DGADLP Cn1ccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069562 1097046583 /nfs/dbraw/zinc/04/65/83/1097046583.db2.gz UZQJDGKWQSVAGV-LDLYASANSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1ccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069562 1097046589 /nfs/dbraw/zinc/04/65/89/1097046589.db2.gz UZQJDGKWQSVAGV-LDLYASANSA-N 2 2 324.472 3.095 20 0 DGADLP c1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)[NH+]2CCCC2)cc1 ZINC001172218367 1097079812 /nfs/dbraw/zinc/07/98/12/1097079812.db2.gz RZHWZYHJJQYOAS-IPQPSQTFSA-N 2 2 300.446 3.123 20 0 DGADLP C(C1CC1)[N@@H+]1CCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172223801 1097080405 /nfs/dbraw/zinc/08/04/05/1097080405.db2.gz AUNGSLMQHACUOW-AYHJJNSGSA-N 2 2 304.478 3.037 20 0 DGADLP C(C1CC1)[N@H+]1CCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172223801 1097080409 /nfs/dbraw/zinc/08/04/09/1097080409.db2.gz AUNGSLMQHACUOW-AYHJJNSGSA-N 2 2 304.478 3.037 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@H]1F ZINC001206163398 1097087043 /nfs/dbraw/zinc/08/70/43/1097087043.db2.gz CEKHLKALILAWIG-DGCLKSJQSA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@H]1F ZINC001206163398 1097087048 /nfs/dbraw/zinc/08/70/48/1097087048.db2.gz CEKHLKALILAWIG-DGCLKSJQSA-N 2 2 308.294 3.106 20 0 DGADLP CC[C@H](C)OCC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172318976 1097099931 /nfs/dbraw/zinc/09/99/31/1097099931.db2.gz NKUWCNXUBOPGLU-IRXDYDNUSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)COCC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172458475 1097160853 /nfs/dbraw/zinc/16/08/53/1097160853.db2.gz ZGQREKHFUOZQPP-QGZVFWFLSA-N 2 2 304.478 3.159 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001172721873 1097215915 /nfs/dbraw/zinc/21/59/15/1097215915.db2.gz KXMIRBLGOBUVMH-KRWDZBQOSA-N 2 2 301.821 3.341 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172724995 1097218429 /nfs/dbraw/zinc/21/84/29/1097218429.db2.gz QKHJVSITQWMHAL-SFHVURJKSA-N 2 2 304.865 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172724995 1097218433 /nfs/dbraw/zinc/21/84/33/1097218433.db2.gz QKHJVSITQWMHAL-SFHVURJKSA-N 2 2 304.865 3.366 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172770269 1097236648 /nfs/dbraw/zinc/23/66/48/1097236648.db2.gz KFZUCNCHDBXMPX-INIZCTEOSA-N 2 2 324.509 3.446 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172770269 1097236653 /nfs/dbraw/zinc/23/66/53/1097236653.db2.gz KFZUCNCHDBXMPX-INIZCTEOSA-N 2 2 324.509 3.446 20 0 DGADLP Cc1[nH+]cn([C@@H]2CCc3ccc(C)cc3C2)c1CSCC[NH3+] ZINC001172834995 1097251541 /nfs/dbraw/zinc/25/15/41/1097251541.db2.gz KNCMNESBTBWPDR-QGZVFWFLSA-N 2 2 315.486 3.422 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001206185051 1097306890 /nfs/dbraw/zinc/30/68/90/1097306890.db2.gz KTTPWYSNXVQCLK-KGLIPLIRSA-N 2 2 304.331 3.275 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001206185051 1097306896 /nfs/dbraw/zinc/30/68/96/1097306896.db2.gz KTTPWYSNXVQCLK-KGLIPLIRSA-N 2 2 304.331 3.275 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1F ZINC001206185441 1097307548 /nfs/dbraw/zinc/30/75/48/1097307548.db2.gz NUYJDJKUJNDCQV-KBPBESRZSA-N 2 2 305.422 3.071 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1F ZINC001206185441 1097307552 /nfs/dbraw/zinc/30/75/52/1097307552.db2.gz NUYJDJKUJNDCQV-KBPBESRZSA-N 2 2 305.422 3.071 20 0 DGADLP CCCOC1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173102976 1097329667 /nfs/dbraw/zinc/32/96/67/1097329667.db2.gz VERFBJMMTNZKQR-UHFFFAOYSA-N 2 2 317.477 3.378 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001173105168 1097330755 /nfs/dbraw/zinc/33/07/55/1097330755.db2.gz BNHGBCKBDFVDOO-XBMUEBEBSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001173105168 1097330762 /nfs/dbraw/zinc/33/07/62/1097330762.db2.gz BNHGBCKBDFVDOO-XBMUEBEBSA-N 3 2 307.526 3.103 20 0 DGADLP CCSC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001173290524 1097416292 /nfs/dbraw/zinc/41/62/92/1097416292.db2.gz GVRFZWYARNPQNP-GWCFXTLKSA-N 2 2 317.296 3.180 20 0 DGADLP CC(C)n1c[nH+]c2cc(Nc3cnn(CC[NH+](C)C)c3)ccc21 ZINC001174380813 1097703119 /nfs/dbraw/zinc/70/31/19/1097703119.db2.gz KZNVTGNVTYROTD-UHFFFAOYSA-N 2 2 312.421 3.119 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)s1 ZINC001231502716 1097765921 /nfs/dbraw/zinc/76/59/21/1097765921.db2.gz WFMQARVUBQGURN-INIZCTEOSA-N 2 2 322.518 3.386 20 0 DGADLP CCc1ccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)s1 ZINC001231502716 1097765925 /nfs/dbraw/zinc/76/59/25/1097765925.db2.gz WFMQARVUBQGURN-INIZCTEOSA-N 2 2 322.518 3.386 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231673993 1097813151 /nfs/dbraw/zinc/81/31/51/1097813151.db2.gz XVTZLKOCAOJZNZ-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231673993 1097813162 /nfs/dbraw/zinc/81/31/62/1097813162.db2.gz XVTZLKOCAOJZNZ-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3cccc(C4CC4)[nH+]3)cc2)CC1 ZINC001174813008 1097860553 /nfs/dbraw/zinc/86/05/53/1097860553.db2.gz FITWRVYMDZUWJE-UHFFFAOYSA-N 2 2 308.429 3.454 20 0 DGADLP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cnc1F ZINC001231926334 1097893633 /nfs/dbraw/zinc/89/36/33/1097893633.db2.gz UBAQNSQEFDXHMD-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cnc1F ZINC001231926334 1097893639 /nfs/dbraw/zinc/89/36/39/1097893639.db2.gz UBAQNSQEFDXHMD-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cnc1F ZINC001231926334 1097893647 /nfs/dbraw/zinc/89/36/47/1097893647.db2.gz UBAQNSQEFDXHMD-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cnc1F ZINC001231926334 1097893654 /nfs/dbraw/zinc/89/36/54/1097893654.db2.gz UBAQNSQEFDXHMD-IRXDYDNUSA-N 2 2 305.441 3.368 20 0 DGADLP CN1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1 ZINC001232013806 1097916847 /nfs/dbraw/zinc/91/68/47/1097916847.db2.gz FXLUBUVQPFGQTK-IBGZPJMESA-N 2 2 306.413 3.052 20 0 DGADLP CN1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1 ZINC001232013806 1097916852 /nfs/dbraw/zinc/91/68/52/1097916852.db2.gz FXLUBUVQPFGQTK-IBGZPJMESA-N 2 2 306.413 3.052 20 0 DGADLP Cc1cnc2c(c1)C[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232151894 1097951682 /nfs/dbraw/zinc/95/16/82/1097951682.db2.gz RIPGRMGWKPWXPE-UHFFFAOYSA-N 2 2 313.420 3.149 20 0 DGADLP Cc1cnc2c(c1)C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232151894 1097951687 /nfs/dbraw/zinc/95/16/87/1097951687.db2.gz RIPGRMGWKPWXPE-UHFFFAOYSA-N 2 2 313.420 3.149 20 0 DGADLP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001277625301 1097959083 /nfs/dbraw/zinc/95/90/83/1097959083.db2.gz UGBVQKRSTJEVMT-GGPKGHCWSA-N 2 2 321.553 3.303 20 0 DGADLP CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)[N@H+](C1CC[NH+](C)CC1)C2 ZINC001277625301 1097959089 /nfs/dbraw/zinc/95/90/89/1097959089.db2.gz UGBVQKRSTJEVMT-GGPKGHCWSA-N 2 2 321.553 3.303 20 0 DGADLP COCc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001232256332 1097982839 /nfs/dbraw/zinc/98/28/39/1097982839.db2.gz QGSMYDZLKDXFIL-IBGZPJMESA-N 2 2 317.477 3.068 20 0 DGADLP COCc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001232256332 1097982844 /nfs/dbraw/zinc/98/28/44/1097982844.db2.gz QGSMYDZLKDXFIL-IBGZPJMESA-N 2 2 317.477 3.068 20 0 DGADLP CC[N@H+](Cc1ccccc1)C1CCN(Cc2c[nH+]c(C)[nH]2)CC1 ZINC001232461661 1098044337 /nfs/dbraw/zinc/04/43/37/1098044337.db2.gz CCFYQOQTIDAVIV-UHFFFAOYSA-N 2 2 312.461 3.205 20 0 DGADLP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2c[nH+]c(C)[nH]2)CC1 ZINC001232461661 1098044343 /nfs/dbraw/zinc/04/43/43/1098044343.db2.gz CCFYQOQTIDAVIV-UHFFFAOYSA-N 2 2 312.461 3.205 20 0 DGADLP CC[N@H+](Cc1ccccc1)C1CCN(Cc2c[nH]c(C)[nH+]2)CC1 ZINC001232461661 1098044350 /nfs/dbraw/zinc/04/43/50/1098044350.db2.gz CCFYQOQTIDAVIV-UHFFFAOYSA-N 2 2 312.461 3.205 20 0 DGADLP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2c[nH]c(C)[nH+]2)CC1 ZINC001232461661 1098044356 /nfs/dbraw/zinc/04/43/56/1098044356.db2.gz CCFYQOQTIDAVIV-UHFFFAOYSA-N 2 2 312.461 3.205 20 0 DGADLP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175461306 1098070652 /nfs/dbraw/zinc/07/06/52/1098070652.db2.gz MXBFZPVNMKWMDL-OAHLLOKOSA-N 2 2 322.497 3.043 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cncc3cnccc32)CC1 ZINC001232653541 1098107596 /nfs/dbraw/zinc/10/75/96/1098107596.db2.gz HKBWZZQZMQVSCZ-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C[C@@H]2C1 ZINC001232734769 1098122377 /nfs/dbraw/zinc/12/23/77/1098122377.db2.gz YMKUUARZLXFHTF-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccc(Cl)cc4[nH]3)C[C@@H]2C1 ZINC001232734769 1098122379 /nfs/dbraw/zinc/12/23/79/1098122379.db2.gz YMKUUARZLXFHTF-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccc(Cl)cc4[nH]3)C[C@@H]2C1 ZINC001232734769 1098122381 /nfs/dbraw/zinc/12/23/81/1098122381.db2.gz YMKUUARZLXFHTF-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccc(Cl)cc4[nH]3)C[C@@H]2C1 ZINC001232734769 1098122383 /nfs/dbraw/zinc/12/23/83/1098122383.db2.gz YMKUUARZLXFHTF-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP FC(F)(F)CCC[NH+]1CC2(C1)CCN(c1cccc[nH+]1)CC2 ZINC001277753050 1098211464 /nfs/dbraw/zinc/21/14/64/1098211464.db2.gz QCIIGSBNSXXDPV-UHFFFAOYSA-N 2 2 313.367 3.326 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(O)c1F ZINC001233056771 1098215161 /nfs/dbraw/zinc/21/51/61/1098215161.db2.gz HWEBIMCKTCVYLQ-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1F ZINC001233056771 1098215165 /nfs/dbraw/zinc/21/51/65/1098215165.db2.gz HWEBIMCKTCVYLQ-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(O)c1F ZINC001233056771 1098215170 /nfs/dbraw/zinc/21/51/70/1098215170.db2.gz HWEBIMCKTCVYLQ-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP Cc1ccc(C)c(Nc2ccc(CC[NH+]3CCOCC3)cc2)[nH+]1 ZINC001176379402 1098324764 /nfs/dbraw/zinc/32/47/64/1098324764.db2.gz AQDFWEDWLWHFJX-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)c(C)s3)CC2)c1 ZINC001233700778 1098412571 /nfs/dbraw/zinc/41/25/71/1098412571.db2.gz SKXFULYVUGWZPG-UHFFFAOYSA-N 2 2 317.458 3.091 20 0 DGADLP c1cn2cc(O[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001233748671 1098422546 /nfs/dbraw/zinc/42/25/46/1098422546.db2.gz LJNGPRFPNFEYKE-QGZVFWFLSA-N 2 2 307.397 3.378 20 0 DGADLP c1cn2cc(O[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC001233748671 1098422548 /nfs/dbraw/zinc/42/25/48/1098422548.db2.gz LJNGPRFPNFEYKE-QGZVFWFLSA-N 2 2 307.397 3.378 20 0 DGADLP CC(C)COc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001177463616 1098535543 /nfs/dbraw/zinc/53/55/43/1098535543.db2.gz DZTYRBBTRAEJON-UHFFFAOYSA-N 2 2 313.445 3.472 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC001177491783 1098542458 /nfs/dbraw/zinc/54/24/58/1098542458.db2.gz GHLTXOFAKGFWIU-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC001177507319 1098544295 /nfs/dbraw/zinc/54/42/95/1098544295.db2.gz ZWXFQJFVZMFFIN-MRXNPFEDSA-N 2 2 323.506 3.349 20 0 DGADLP CC[C@@H](C)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001177707964 1098589714 /nfs/dbraw/zinc/58/97/14/1098589714.db2.gz QCTQJHNNFJYXJX-MRXNPFEDSA-N 2 2 323.912 3.488 20 0 DGADLP CCSCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277913671 1098734200 /nfs/dbraw/zinc/73/42/00/1098734200.db2.gz JXEKGGVNUMWBCS-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP CCSCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277913671 1098734210 /nfs/dbraw/zinc/73/42/10/1098734210.db2.gz JXEKGGVNUMWBCS-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP CCSCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277913671 1098734227 /nfs/dbraw/zinc/73/42/27/1098734227.db2.gz JXEKGGVNUMWBCS-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP CCSCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277913671 1098734236 /nfs/dbraw/zinc/73/42/36/1098734236.db2.gz JXEKGGVNUMWBCS-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995294 1098738523 /nfs/dbraw/zinc/73/85/23/1098738523.db2.gz VKZFMALURRJHFX-INIZCTEOSA-N 2 2 323.278 3.067 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234993749 1098738456 /nfs/dbraw/zinc/73/84/56/1098738456.db2.gz RNZPKWAGGUERER-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234993749 1098738465 /nfs/dbraw/zinc/73/84/65/1098738465.db2.gz RNZPKWAGGUERER-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Brc1ccccc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995294 1098738530 /nfs/dbraw/zinc/73/85/30/1098738530.db2.gz VKZFMALURRJHFX-INIZCTEOSA-N 2 2 323.278 3.067 20 0 DGADLP CCCCOc1ncc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC001234997681 1098741199 /nfs/dbraw/zinc/74/11/99/1098741199.db2.gz DMSDWGIWFHEJKY-IBGZPJMESA-N 2 2 317.477 3.144 20 0 DGADLP CCCCOc1ncc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC001234997681 1098741209 /nfs/dbraw/zinc/74/12/09/1098741209.db2.gz DMSDWGIWFHEJKY-IBGZPJMESA-N 2 2 317.477 3.144 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC001235032313 1098762639 /nfs/dbraw/zinc/76/26/39/1098762639.db2.gz JRIOQTYKPJTGIM-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC001235032313 1098762649 /nfs/dbraw/zinc/76/26/49/1098762649.db2.gz JRIOQTYKPJTGIM-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038469 1098766439 /nfs/dbraw/zinc/76/64/39/1098766439.db2.gz MZARDDJLXJOQSF-GOSISDBHSA-N 2 2 306.425 3.251 20 0 DGADLP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235038469 1098766451 /nfs/dbraw/zinc/76/64/51/1098766451.db2.gz MZARDDJLXJOQSF-GOSISDBHSA-N 2 2 306.425 3.251 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cnc1OC(C)C ZINC001235039032 1098767866 /nfs/dbraw/zinc/76/78/66/1098767866.db2.gz MLBFQDWSWHIMAS-LJQANCHMSA-N 2 2 317.477 3.285 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cnc1OC(C)C ZINC001235039032 1098767881 /nfs/dbraw/zinc/76/78/81/1098767881.db2.gz MLBFQDWSWHIMAS-LJQANCHMSA-N 2 2 317.477 3.285 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235043625 1098771422 /nfs/dbraw/zinc/77/14/22/1098771422.db2.gz GDBPXXFQWFQPFQ-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235043625 1098771431 /nfs/dbraw/zinc/77/14/31/1098771431.db2.gz GDBPXXFQWFQPFQ-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP Clc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)OCO2 ZINC001235047246 1098773892 /nfs/dbraw/zinc/77/38/92/1098773892.db2.gz UIDNUKDAAAATMQ-KRWDZBQOSA-N 2 2 322.836 3.177 20 0 DGADLP Clc1cc2c(cc1C[N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)OCO2 ZINC001235047246 1098773904 /nfs/dbraw/zinc/77/39/04/1098773904.db2.gz UIDNUKDAAAATMQ-KRWDZBQOSA-N 2 2 322.836 3.177 20 0 DGADLP Cc1sc2ccccc2c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235117214 1098818316 /nfs/dbraw/zinc/81/83/16/1098818316.db2.gz KUIDVIHPSOOSJH-GOSISDBHSA-N 2 2 316.470 3.164 20 0 DGADLP Cc1c(C)c(C)c(C[N@@H+]2CCOCC23CC[NH2+]CC3)c(C)c1C ZINC001235129908 1098826802 /nfs/dbraw/zinc/82/68/02/1098826802.db2.gz SDVCAFCEDAHZFG-UHFFFAOYSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1c(C)c(C)c(C[N@H+]2CCOCC23CC[NH2+]CC3)c(C)c1C ZINC001235129908 1098826815 /nfs/dbraw/zinc/82/68/15/1098826815.db2.gz SDVCAFCEDAHZFG-UHFFFAOYSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144599 1098836098 /nfs/dbraw/zinc/83/60/98/1098836098.db2.gz NACRIAHNSDTZFT-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP Cc1cc(Br)cc(C[N@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144599 1098836106 /nfs/dbraw/zinc/83/61/06/1098836106.db2.gz NACRIAHNSDTZFT-UHFFFAOYSA-N 2 2 323.278 3.476 20 0 DGADLP c1nc2cccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2s1 ZINC001235181099 1098860777 /nfs/dbraw/zinc/86/07/77/1098860777.db2.gz XYSMXRKYDCGELF-QGZVFWFLSA-N 2 2 301.459 3.404 20 0 DGADLP c1nc2cccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2s1 ZINC001235181099 1098860784 /nfs/dbraw/zinc/86/07/84/1098860784.db2.gz XYSMXRKYDCGELF-QGZVFWFLSA-N 2 2 301.459 3.404 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184201 1098863089 /nfs/dbraw/zinc/86/30/89/1098863089.db2.gz IACNFKRCCFNEKN-SJORKVTESA-N 2 2 310.441 3.280 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184201 1098863099 /nfs/dbraw/zinc/86/30/99/1098863099.db2.gz IACNFKRCCFNEKN-SJORKVTESA-N 2 2 310.441 3.280 20 0 DGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212975 1098885312 /nfs/dbraw/zinc/88/53/12/1098885312.db2.gz HEJOWAVGQOREOK-KVSKMBFKSA-N 2 2 300.490 3.456 20 0 DGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212975 1098885325 /nfs/dbraw/zinc/88/53/25/1098885325.db2.gz HEJOWAVGQOREOK-KVSKMBFKSA-N 2 2 300.490 3.456 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc3occc3c1)C2 ZINC001235226033 1098900182 /nfs/dbraw/zinc/90/01/82/1098900182.db2.gz XDYCPPSUXIWJRR-ZFWWWQNUSA-N 2 2 310.319 3.017 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC001235226033 1098900191 /nfs/dbraw/zinc/90/01/91/1098900191.db2.gz XDYCPPSUXIWJRR-ZFWWWQNUSA-N 2 2 310.319 3.017 20 0 DGADLP Oc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1F ZINC001235230908 1098904780 /nfs/dbraw/zinc/90/47/80/1098904780.db2.gz WYRMROFZZQOZPC-CQSZACIVSA-N 2 2 310.388 3.025 20 0 DGADLP Fc1cccc2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)[nH]c21 ZINC001235233215 1098905404 /nfs/dbraw/zinc/90/54/04/1098905404.db2.gz ADJUVAPWFBEMPR-UHFFFAOYSA-N 2 2 310.376 3.024 20 0 DGADLP Fc1nccc(Cl)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235239247 1098910518 /nfs/dbraw/zinc/91/05/18/1098910518.db2.gz JJYQEUPVXTYNOW-HNNXBMFYSA-N 2 2 311.832 3.228 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC001235253754 1098924636 /nfs/dbraw/zinc/92/46/36/1098924636.db2.gz FZHNSJCADMRREM-LIRRHRJNSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC001235253754 1098924643 /nfs/dbraw/zinc/92/46/43/1098924643.db2.gz FZHNSJCADMRREM-LIRRHRJNSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(CC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235400386 1098997021 /nfs/dbraw/zinc/99/70/21/1098997021.db2.gz CNQXAVWHAYWVHB-JKSUJKDBSA-N 2 2 314.807 3.045 20 0 DGADLP Fc1ccc(CC[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235400386 1098997027 /nfs/dbraw/zinc/99/70/27/1098997027.db2.gz CNQXAVWHAYWVHB-JKSUJKDBSA-N 2 2 314.807 3.045 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001179259522 1099048517 /nfs/dbraw/zinc/04/85/17/1099048517.db2.gz USTOKCNBAMGCTE-INIZCTEOSA-N 2 2 320.452 3.436 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001179259522 1099048530 /nfs/dbraw/zinc/04/85/30/1099048530.db2.gz USTOKCNBAMGCTE-INIZCTEOSA-N 2 2 320.452 3.436 20 0 DGADLP C[C@H](CC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)[NH+](C)C ZINC001179266707 1099052894 /nfs/dbraw/zinc/05/28/94/1099052894.db2.gz WCRZTGJWAOVWNI-LLVKDONJSA-N 2 2 318.292 3.489 20 0 DGADLP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402576 1099082282 /nfs/dbraw/zinc/08/22/82/1099082282.db2.gz VTSIQCPFBUIJRM-JQHSSLGASA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402576 1099082295 /nfs/dbraw/zinc/08/22/95/1099082295.db2.gz VTSIQCPFBUIJRM-JQHSSLGASA-N 2 2 304.478 3.179 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675191 1099117935 /nfs/dbraw/zinc/11/79/35/1099117935.db2.gz KJVIOFZEVWLDMY-LBPRGKRZSA-N 2 2 311.267 3.182 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675191 1099117939 /nfs/dbraw/zinc/11/79/39/1099117939.db2.gz KJVIOFZEVWLDMY-LBPRGKRZSA-N 2 2 311.267 3.182 20 0 DGADLP C[N@@H+](Cc1cccc2cccnc21)C[C@H]([NH3+])Cc1ccccc1 ZINC001235727594 1099150899 /nfs/dbraw/zinc/15/08/99/1099150899.db2.gz USSAEMLIQYGCOK-LJQANCHMSA-N 2 2 305.425 3.237 20 0 DGADLP C[N@H+](Cc1cccc2cccnc21)C[C@H]([NH3+])Cc1ccccc1 ZINC001235727594 1099150903 /nfs/dbraw/zinc/15/09/03/1099150903.db2.gz USSAEMLIQYGCOK-LJQANCHMSA-N 2 2 305.425 3.237 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001235788444 1099180330 /nfs/dbraw/zinc/18/03/30/1099180330.db2.gz FRWBOAZILOXBOK-UHFFFAOYSA-N 2 2 303.837 3.315 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC001235797450 1099185625 /nfs/dbraw/zinc/18/56/25/1099185625.db2.gz UTZBYVBXKMTVKW-IBGZPJMESA-N 2 2 312.457 3.462 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC001235797450 1099185632 /nfs/dbraw/zinc/18/56/32/1099185632.db2.gz UTZBYVBXKMTVKW-IBGZPJMESA-N 2 2 312.457 3.462 20 0 DGADLP COCCC[N@H+](Cc1cc(C)c(F)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001235804494 1099187307 /nfs/dbraw/zinc/18/73/07/1099187307.db2.gz DTRMSOFDLBKAMJ-KRWDZBQOSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)c(F)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001235804494 1099187310 /nfs/dbraw/zinc/18/73/10/1099187310.db2.gz DTRMSOFDLBKAMJ-KRWDZBQOSA-N 2 2 308.441 3.033 20 0 DGADLP COCCC[N@H+](Cc1coc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001235807773 1099189179 /nfs/dbraw/zinc/18/91/79/1099189179.db2.gz WIKNSMGMTJPLIM-INIZCTEOSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1coc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001235807773 1099189184 /nfs/dbraw/zinc/18/91/84/1099189184.db2.gz WIKNSMGMTJPLIM-INIZCTEOSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@H+](Cc1coc2ccc(F)cc12)[C@H]1CCC[NH2+]C1 ZINC001235808273 1099189357 /nfs/dbraw/zinc/18/93/57/1099189357.db2.gz ZPXRCAHWXKXWLB-INIZCTEOSA-N 2 2 320.408 3.162 20 0 DGADLP COCCC[N@@H+](Cc1coc2ccc(F)cc12)[C@H]1CCC[NH2+]C1 ZINC001235808273 1099189361 /nfs/dbraw/zinc/18/93/61/1099189361.db2.gz ZPXRCAHWXKXWLB-INIZCTEOSA-N 2 2 320.408 3.162 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235841676 1099204426 /nfs/dbraw/zinc/20/44/26/1099204426.db2.gz HGUDKJBTZPUFPQ-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235841676 1099204430 /nfs/dbraw/zinc/20/44/30/1099204430.db2.gz HGUDKJBTZPUFPQ-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909085 1099250669 /nfs/dbraw/zinc/25/06/69/1099250669.db2.gz YYIJUZWKIPRMHH-NVXWUHKLSA-N 2 2 320.440 3.337 20 0 DGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235909085 1099250673 /nfs/dbraw/zinc/25/06/73/1099250673.db2.gz YYIJUZWKIPRMHH-NVXWUHKLSA-N 2 2 320.440 3.337 20 0 DGADLP Clc1cccc([C@H]2CSCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001235946692 1099277997 /nfs/dbraw/zinc/27/79/97/1099277997.db2.gz PKVWBUQZCWJUER-XJKSGUPXSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1cccc([C@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001235946692 1099278003 /nfs/dbraw/zinc/27/80/03/1099278003.db2.gz PKVWBUQZCWJUER-XJKSGUPXSA-N 2 2 310.894 3.430 20 0 DGADLP COc1cccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001235949758 1099282497 /nfs/dbraw/zinc/28/24/97/1099282497.db2.gz HLOUBOHTNFNWLO-QUCCMNQESA-N 2 2 310.441 3.402 20 0 DGADLP COc1cccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)c1 ZINC001235949758 1099282506 /nfs/dbraw/zinc/28/25/06/1099282506.db2.gz HLOUBOHTNFNWLO-QUCCMNQESA-N 2 2 310.441 3.402 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235957644 1099288395 /nfs/dbraw/zinc/28/83/95/1099288395.db2.gz RADGWHSXDSODPO-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@@H]1CCC[NH2+]C1 ZINC001235957644 1099288405 /nfs/dbraw/zinc/28/84/05/1099288405.db2.gz RADGWHSXDSODPO-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP C[N@@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235957699 1099289787 /nfs/dbraw/zinc/28/97/87/1099289787.db2.gz SJLSMZMTGBATQS-SNVBAGLBSA-N 2 2 322.321 3.415 20 0 DGADLP C[N@H+](Cc1cc(F)c(C(F)(F)F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235957699 1099289793 /nfs/dbraw/zinc/28/97/93/1099289793.db2.gz SJLSMZMTGBATQS-SNVBAGLBSA-N 2 2 322.321 3.415 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C)c1Br ZINC001235959245 1099292522 /nfs/dbraw/zinc/29/25/22/1099292522.db2.gz JVPAIUOVWUFKJY-MIFYACCESA-N 2 2 323.278 3.235 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C)c1Br ZINC001235959245 1099292527 /nfs/dbraw/zinc/29/25/27/1099292527.db2.gz JVPAIUOVWUFKJY-MIFYACCESA-N 2 2 323.278 3.235 20 0 DGADLP CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963861 1099296327 /nfs/dbraw/zinc/29/63/27/1099296327.db2.gz WTYROOADEUVEND-QFBILLFUSA-N 2 2 319.493 3.355 20 0 DGADLP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235963861 1099296333 /nfs/dbraw/zinc/29/63/33/1099296333.db2.gz WTYROOADEUVEND-QFBILLFUSA-N 2 2 319.493 3.355 20 0 DGADLP CC[N@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236006897 1099329695 /nfs/dbraw/zinc/32/96/95/1099329695.db2.gz KRNGHOGIUUDMHZ-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc2ccnc(Cl)c2c1)[C@@H]1CCC[NH2+]C1 ZINC001236006897 1099329706 /nfs/dbraw/zinc/32/97/06/1099329706.db2.gz KRNGHOGIUUDMHZ-OAHLLOKOSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+](Cc1ccnc2c(Cl)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236009039 1099331639 /nfs/dbraw/zinc/33/16/39/1099331639.db2.gz KOZJHZXNSAMGDF-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccnc2c(Cl)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236009039 1099331649 /nfs/dbraw/zinc/33/16/49/1099331649.db2.gz KOZJHZXNSAMGDF-CQSZACIVSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@H+](Cc1ccc(Oc2cccnc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236011272 1099336303 /nfs/dbraw/zinc/33/63/03/1099336303.db2.gz WKLFLCVWBVRBEP-KRWDZBQOSA-N 2 2 311.429 3.448 20 0 DGADLP CC[N@@H+](Cc1ccc(Oc2cccnc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236011272 1099336314 /nfs/dbraw/zinc/33/63/14/1099336314.db2.gz WKLFLCVWBVRBEP-KRWDZBQOSA-N 2 2 311.429 3.448 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050434 1099352729 /nfs/dbraw/zinc/35/27/29/1099352729.db2.gz SAMNJKLWLRNHHU-ZWNOBZJWSA-N 2 2 322.250 3.100 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001236050434 1099352736 /nfs/dbraw/zinc/35/27/36/1099352736.db2.gz SAMNJKLWLRNHHU-ZWNOBZJWSA-N 2 2 322.250 3.100 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001236065603 1099364400 /nfs/dbraw/zinc/36/44/00/1099364400.db2.gz BUQSRODGTLBWOW-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001236065603 1099364412 /nfs/dbraw/zinc/36/44/12/1099364412.db2.gz BUQSRODGTLBWOW-ZDUSSCGKSA-N 2 2 311.267 3.107 20 0 DGADLP CCc1cccc2cc(C[N@@H+]3CC[C@H](C[NH2+]C)C3)c(Cl)nc21 ZINC001236067641 1099366302 /nfs/dbraw/zinc/36/63/02/1099366302.db2.gz RMEGDJXCUVVVAG-CYBMUJFWSA-N 2 2 317.864 3.492 20 0 DGADLP CCc1cccc2cc(C[N@H+]3CC[C@H](C[NH2+]C)C3)c(Cl)nc21 ZINC001236067641 1099366311 /nfs/dbraw/zinc/36/63/11/1099366311.db2.gz RMEGDJXCUVVVAG-CYBMUJFWSA-N 2 2 317.864 3.492 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236068936 1099367665 /nfs/dbraw/zinc/36/76/65/1099367665.db2.gz ZBKSDHQPMHSWGL-NSHDSACASA-N 2 2 322.758 3.280 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236068936 1099367677 /nfs/dbraw/zinc/36/76/77/1099367677.db2.gz ZBKSDHQPMHSWGL-NSHDSACASA-N 2 2 322.758 3.280 20 0 DGADLP Fc1ccc(CC2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001236081521 1099377471 /nfs/dbraw/zinc/37/74/71/1099377471.db2.gz PVZBLAUELBXKOW-KRWDZBQOSA-N 2 2 308.416 3.361 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001236086771 1099378623 /nfs/dbraw/zinc/37/86/23/1099378623.db2.gz SQBBDFHZKZBVAN-IUODEOHRSA-N 2 2 320.383 3.282 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001236086771 1099378634 /nfs/dbraw/zinc/37/86/34/1099378634.db2.gz SQBBDFHZKZBVAN-IUODEOHRSA-N 2 2 320.383 3.282 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(OC)cc2)cc1 ZINC001236142708 1099427433 /nfs/dbraw/zinc/42/74/33/1099427433.db2.gz ZXIJKQXZFUEAGV-UHFFFAOYSA-N 2 2 313.445 3.244 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(OC)cc2)cc1 ZINC001236142708 1099427439 /nfs/dbraw/zinc/42/74/39/1099427439.db2.gz ZXIJKQXZFUEAGV-UHFFFAOYSA-N 2 2 313.445 3.244 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001236168453 1099442248 /nfs/dbraw/zinc/44/22/48/1099442248.db2.gz JLXNBSRJSATEGO-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C1 ZINC001236168453 1099442250 /nfs/dbraw/zinc/44/22/50/1099442250.db2.gz JLXNBSRJSATEGO-OAHLLOKOSA-N 2 2 321.346 3.300 20 0 DGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc(C)c1F ZINC001236195167 1099458382 /nfs/dbraw/zinc/45/83/82/1099458382.db2.gz PBYBCZXWDBKOHN-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc(C)c1F ZINC001236195167 1099458390 /nfs/dbraw/zinc/45/83/90/1099458390.db2.gz PBYBCZXWDBKOHN-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP C[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208663 1099464554 /nfs/dbraw/zinc/46/45/54/1099464554.db2.gz VRXRAMCSYLRWEU-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208663 1099464559 /nfs/dbraw/zinc/46/45/59/1099464559.db2.gz VRXRAMCSYLRWEU-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213165 1099468498 /nfs/dbraw/zinc/46/84/98/1099468498.db2.gz AKRKAUMXRORUME-CHWSQXEVSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213165 1099468504 /nfs/dbraw/zinc/46/85/04/1099468504.db2.gz AKRKAUMXRORUME-CHWSQXEVSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216369 1099472708 /nfs/dbraw/zinc/47/27/08/1099472708.db2.gz JUSVAMVUBZJOSL-QZTJIDSGSA-N 2 2 305.441 3.128 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(N2CCCC2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216369 1099472712 /nfs/dbraw/zinc/47/27/12/1099472712.db2.gz JUSVAMVUBZJOSL-QZTJIDSGSA-N 2 2 305.441 3.128 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216733 1099474302 /nfs/dbraw/zinc/47/43/02/1099474302.db2.gz MCHFKMFHUVSWJG-IAGOWNOFSA-N 2 2 318.852 3.227 20 0 DGADLP C[N@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219469 1099477788 /nfs/dbraw/zinc/47/77/88/1099477788.db2.gz WQEMGTIAZGDBOC-CHWSQXEVSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(OC(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219469 1099477799 /nfs/dbraw/zinc/47/77/99/1099477799.db2.gz WQEMGTIAZGDBOC-CHWSQXEVSA-N 2 2 320.330 3.426 20 0 DGADLP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1OCC ZINC001236219838 1099478436 /nfs/dbraw/zinc/47/84/36/1099478436.db2.gz XXIUMLMDCPGRKZ-JKSUJKDBSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1OCC ZINC001236219838 1099478440 /nfs/dbraw/zinc/47/84/40/1099478440.db2.gz XXIUMLMDCPGRKZ-JKSUJKDBSA-N 2 2 306.450 3.186 20 0 DGADLP Oc1cc(F)cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236300654 1099523975 /nfs/dbraw/zinc/52/39/75/1099523975.db2.gz ISDDCCXZEDSUPS-UHFFFAOYSA-N 2 2 314.404 3.286 20 0 DGADLP Oc1cc(F)cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236300654 1099523982 /nfs/dbraw/zinc/52/39/82/1099523982.db2.gz ISDDCCXZEDSUPS-UHFFFAOYSA-N 2 2 314.404 3.286 20 0 DGADLP CCC[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001236323601 1099537326 /nfs/dbraw/zinc/53/73/26/1099537326.db2.gz HJNIAEGPJWBFBY-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001236323601 1099537339 /nfs/dbraw/zinc/53/73/39/1099537339.db2.gz HJNIAEGPJWBFBY-HNNXBMFYSA-N 2 2 303.837 3.462 20 0 DGADLP COCC[N@H+](Cc1c(C)ccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236330167 1099540372 /nfs/dbraw/zinc/54/03/72/1099540372.db2.gz MGLAUSNMESYUCW-SFHVURJKSA-N 2 2 312.457 3.349 20 0 DGADLP COCC[N@@H+](Cc1c(C)ccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236330167 1099540380 /nfs/dbraw/zinc/54/03/80/1099540380.db2.gz MGLAUSNMESYUCW-SFHVURJKSA-N 2 2 312.457 3.349 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001203663913 1099542634 /nfs/dbraw/zinc/54/26/34/1099542634.db2.gz YUVTWSOGAKPQKJ-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP CC[N@@H+](Cc1cc(C)ccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236409376 1099582493 /nfs/dbraw/zinc/58/24/93/1099582493.db2.gz UEMXCEYMHADLAV-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](Cc1cc(C)ccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236409376 1099582502 /nfs/dbraw/zinc/58/25/02/1099582502.db2.gz UEMXCEYMHADLAV-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419402 1099593833 /nfs/dbraw/zinc/59/38/33/1099593833.db2.gz ILXMRXZOYYFCPJ-YGRLFVJLSA-N 2 2 322.250 3.242 20 0 DGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236419402 1099593843 /nfs/dbraw/zinc/59/38/43/1099593843.db2.gz ILXMRXZOYYFCPJ-YGRLFVJLSA-N 2 2 322.250 3.242 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236420519 1099596128 /nfs/dbraw/zinc/59/61/28/1099596128.db2.gz NCXOEKZNMSTBDK-BXUZGUMPSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236420519 1099596139 /nfs/dbraw/zinc/59/61/39/1099596139.db2.gz NCXOEKZNMSTBDK-BXUZGUMPSA-N 2 2 302.340 3.205 20 0 DGADLP Fc1cccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)c1 ZINC001236434068 1099609110 /nfs/dbraw/zinc/60/91/10/1099609110.db2.gz OAZINFCBHRSJKY-UHFFFAOYSA-N 2 2 319.468 3.260 20 0 DGADLP CC(C)C[N@H+](Cc1[nH]nc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]C1 ZINC001236479440 1099636964 /nfs/dbraw/zinc/63/69/64/1099636964.db2.gz SYUAZUJRLOEJSG-CQSZACIVSA-N 2 2 320.868 3.426 20 0 DGADLP CC(C)C[N@@H+](Cc1[nH]nc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]C1 ZINC001236479440 1099636968 /nfs/dbraw/zinc/63/69/68/1099636968.db2.gz SYUAZUJRLOEJSG-CQSZACIVSA-N 2 2 320.868 3.426 20 0 DGADLP c1ccc(C[N@@H+](CC2Cc3ccccc3C2)[C@H]2CCC[NH2+]C2)nc1 ZINC001236488323 1099640254 /nfs/dbraw/zinc/64/02/54/1099640254.db2.gz UTRSHFZLLRTFIH-NRFANRHFSA-N 2 2 321.468 3.051 20 0 DGADLP c1ccc(C[N@H+](CC2Cc3ccccc3C2)[C@H]2CCC[NH2+]C2)nc1 ZINC001236488323 1099640262 /nfs/dbraw/zinc/64/02/62/1099640262.db2.gz UTRSHFZLLRTFIH-NRFANRHFSA-N 2 2 321.468 3.051 20 0 DGADLP COc1ccc2sc(C[N@H+](C(C)C)[C@@H]3CC[NH2+]C3)cc2c1 ZINC001236530854 1099666362 /nfs/dbraw/zinc/66/63/62/1099666362.db2.gz VBHYXBHNEGMATG-CQSZACIVSA-N 2 2 304.459 3.482 20 0 DGADLP COc1ccc2sc(C[N@@H+](C(C)C)[C@@H]3CC[NH2+]C3)cc2c1 ZINC001236530854 1099666369 /nfs/dbraw/zinc/66/63/69/1099666369.db2.gz VBHYXBHNEGMATG-CQSZACIVSA-N 2 2 304.459 3.482 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236614797 1099704359 /nfs/dbraw/zinc/70/43/59/1099704359.db2.gz BPHVNTYRVUJBAW-OAHLLOKOSA-N 2 2 311.267 3.182 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236614797 1099704367 /nfs/dbraw/zinc/70/43/67/1099704367.db2.gz BPHVNTYRVUJBAW-OAHLLOKOSA-N 2 2 311.267 3.182 20 0 DGADLP Clc1cc2c(cc1C[N@H+](C1CCC1)C1CC[NH2+]CC1)OCO2 ZINC001236633671 1099715336 /nfs/dbraw/zinc/71/53/36/1099715336.db2.gz JVCYWMQNFSPECR-UHFFFAOYSA-N 2 2 322.836 3.175 20 0 DGADLP Clc1cc2c(cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1)OCO2 ZINC001236633671 1099715345 /nfs/dbraw/zinc/71/53/45/1099715345.db2.gz JVCYWMQNFSPECR-UHFFFAOYSA-N 2 2 322.836 3.175 20 0 DGADLP Cc1c(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)[nH+]c2ccccn12 ZINC001236652224 1099722434 /nfs/dbraw/zinc/72/24/34/1099722434.db2.gz LPAPEUDRSVOJQC-QGZVFWFLSA-N 2 2 312.461 3.139 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236835324 1099821358 /nfs/dbraw/zinc/82/13/58/1099821358.db2.gz LDTXYHWDCXCWQT-ZDUSSCGKSA-N 2 2 312.404 3.185 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236835324 1099821364 /nfs/dbraw/zinc/82/13/64/1099821364.db2.gz LDTXYHWDCXCWQT-ZDUSSCGKSA-N 2 2 312.404 3.185 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H]1CO ZINC001236902476 1099864735 /nfs/dbraw/zinc/86/47/35/1099864735.db2.gz FEZJKDXCVIRKTA-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H]1CO ZINC001236902476 1099864742 /nfs/dbraw/zinc/86/47/42/1099864742.db2.gz FEZJKDXCVIRKTA-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)c2ccccc2F)cc1 ZINC001236904031 1099864897 /nfs/dbraw/zinc/86/48/97/1099864897.db2.gz JAKCXZLAWBSCBQ-AWEZNQCLSA-N 2 2 301.409 3.373 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)c2ccccc2F)cc1 ZINC001236904031 1099864907 /nfs/dbraw/zinc/86/49/07/1099864907.db2.gz JAKCXZLAWBSCBQ-AWEZNQCLSA-N 2 2 301.409 3.373 20 0 DGADLP C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902878 1099865727 /nfs/dbraw/zinc/86/57/27/1099865727.db2.gz JPSSRXXTZLBQJG-HIFRSBDPSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902878 1099865735 /nfs/dbraw/zinc/86/57/35/1099865735.db2.gz JPSSRXXTZLBQJG-HIFRSBDPSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCO1 ZINC001236902490 1099865935 /nfs/dbraw/zinc/86/59/35/1099865935.db2.gz FPNYUDMRAGJGKI-ZDUSSCGKSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCO1 ZINC001236902490 1099865942 /nfs/dbraw/zinc/86/59/42/1099865942.db2.gz FPNYUDMRAGJGKI-ZDUSSCGKSA-N 2 2 305.809 3.137 20 0 DGADLP C[NH+](C)C1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236914176 1099874557 /nfs/dbraw/zinc/87/45/57/1099874557.db2.gz SMPGCLFWTXTBOP-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP Oc1ccc(F)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1F ZINC001236962748 1099892927 /nfs/dbraw/zinc/89/29/27/1099892927.db2.gz QWVSZRDSIAYTHP-UHFFFAOYSA-N 2 2 324.415 3.272 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083902 1099961477 /nfs/dbraw/zinc/96/14/77/1099961477.db2.gz ZYZLEYOWITXZJJ-CYBMUJFWSA-N 2 2 317.296 3.380 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083902 1099961483 /nfs/dbraw/zinc/96/14/83/1099961483.db2.gz ZYZLEYOWITXZJJ-CYBMUJFWSA-N 2 2 317.296 3.380 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141179 1099993810 /nfs/dbraw/zinc/99/38/10/1099993810.db2.gz FFQOGEBWKVJQSW-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141179 1099993821 /nfs/dbraw/zinc/99/38/21/1099993821.db2.gz FFQOGEBWKVJQSW-OAQYLSRUSA-N 2 2 322.452 3.226 20 0 DGADLP CCCCCCc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)s1 ZINC001237146545 1099997121 /nfs/dbraw/zinc/99/71/21/1099997121.db2.gz UIANOHMBWOYRET-SFHVURJKSA-N 2 2 322.518 3.435 20 0 DGADLP CCCCCCc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)s1 ZINC001237146545 1099997130 /nfs/dbraw/zinc/99/71/30/1099997130.db2.gz UIANOHMBWOYRET-SFHVURJKSA-N 2 2 322.518 3.435 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237153486 1100001538 /nfs/dbraw/zinc/00/15/38/1100001538.db2.gz GMCAAMUUCYBDJD-IBGZPJMESA-N 2 2 313.489 3.393 20 0 DGADLP c1ccc(N2CCCC2)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237153486 1100001546 /nfs/dbraw/zinc/00/15/46/1100001546.db2.gz GMCAAMUUCYBDJD-IBGZPJMESA-N 2 2 313.489 3.393 20 0 DGADLP Clc1cc2c(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c[nH]c2cn1 ZINC001237156623 1100004732 /nfs/dbraw/zinc/00/47/32/1100004732.db2.gz PIDLGMIMMLPAGJ-CQSZACIVSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1cc2c(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c[nH]c2cn1 ZINC001237156623 1100004742 /nfs/dbraw/zinc/00/47/42/1100004742.db2.gz PIDLGMIMMLPAGJ-CQSZACIVSA-N 2 2 318.852 3.323 20 0 DGADLP COc1cc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1OC ZINC001237156395 1100005909 /nfs/dbraw/zinc/00/59/09/1100005909.db2.gz VNJNYHKQQGVYRZ-KRWDZBQOSA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1OC ZINC001237156395 1100005919 /nfs/dbraw/zinc/00/59/19/1100005919.db2.gz VNJNYHKQQGVYRZ-KRWDZBQOSA-N 2 2 318.461 3.119 20 0 DGADLP Fc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC001237162142 1100011132 /nfs/dbraw/zinc/01/11/32/1100011132.db2.gz TXGXAGJYFDFFNG-MRXNPFEDSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC001237162142 1100011138 /nfs/dbraw/zinc/01/11/38/1100011138.db2.gz TXGXAGJYFDFFNG-MRXNPFEDSA-N 2 2 313.420 3.480 20 0 DGADLP C[C@H](C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12)C(F)(F)F ZINC001237275047 1100055406 /nfs/dbraw/zinc/05/54/06/1100055406.db2.gz JPDDSHUITKJOCO-CYBMUJFWSA-N 2 2 312.379 3.322 20 0 DGADLP Cc1c(O)cccc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237290268 1100062728 /nfs/dbraw/zinc/06/27/28/1100062728.db2.gz XZTXBEJKYSFJNT-UHFFFAOYSA-N 2 2 322.452 3.338 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)(F)F ZINC001237380234 1100098287 /nfs/dbraw/zinc/09/82/87/1100098287.db2.gz GKPFRAFHNFFUCQ-DOMZBBRYSA-N 2 2 316.342 3.418 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1C(F)(F)F ZINC001237380234 1100098293 /nfs/dbraw/zinc/09/82/93/1100098293.db2.gz GKPFRAFHNFFUCQ-DOMZBBRYSA-N 2 2 316.342 3.418 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)(F)F ZINC001237380236 1100098935 /nfs/dbraw/zinc/09/89/35/1100098935.db2.gz GKPFRAFHNFFUCQ-SWLSCSKDSA-N 2 2 316.342 3.418 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1C(F)(F)F ZINC001237380236 1100098948 /nfs/dbraw/zinc/09/89/48/1100098948.db2.gz GKPFRAFHNFFUCQ-SWLSCSKDSA-N 2 2 316.342 3.418 20 0 DGADLP Fc1ccccc1-c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237409311 1100115744 /nfs/dbraw/zinc/11/57/44/1100115744.db2.gz AHZUKIAHCLPXHL-QAPCUYQASA-N 2 2 313.420 3.395 20 0 DGADLP Fc1ccccc1-c1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c[nH]1 ZINC001237409311 1100115746 /nfs/dbraw/zinc/11/57/46/1100115746.db2.gz AHZUKIAHCLPXHL-QAPCUYQASA-N 2 2 313.420 3.395 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1F ZINC001237418297 1100121621 /nfs/dbraw/zinc/12/16/21/1100121621.db2.gz XTPGOSXZJJWHGS-NVXWUHKLSA-N 2 2 306.425 3.187 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1F ZINC001237418297 1100121631 /nfs/dbraw/zinc/12/16/31/1100121631.db2.gz XTPGOSXZJJWHGS-NVXWUHKLSA-N 2 2 306.425 3.187 20 0 DGADLP CC[NH+]1CCC2(C=C(C(=O)Nc3cccc4[nH+]ccn43)CC2)CC1 ZINC001278155749 1100269702 /nfs/dbraw/zinc/26/97/02/1100269702.db2.gz GXLUDEXSTYZCOY-UHFFFAOYSA-N 2 2 324.428 3.095 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H](C)OC[C@@H]3C)cc21 ZINC001237888910 1100284477 /nfs/dbraw/zinc/28/44/77/1100284477.db2.gz HDFNDXZHYKVBBY-LSDHHAIUSA-N 2 2 300.446 3.297 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C)OC[C@@H]3C)cc21 ZINC001237888910 1100284485 /nfs/dbraw/zinc/28/44/85/1100284485.db2.gz HDFNDXZHYKVBBY-LSDHHAIUSA-N 2 2 300.446 3.297 20 0 DGADLP Cc1sccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001237965715 1100304534 /nfs/dbraw/zinc/30/45/34/1100304534.db2.gz DZFDATPSWORKDN-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3c[nH+]cn32)C2CCCC2)CC1 ZINC001238112359 1100363574 /nfs/dbraw/zinc/36/35/74/1100363574.db2.gz CXGSCNASOQIQIH-UHFFFAOYSA-N 3 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3c[nH+]cn32)C2CCCC2)CC1 ZINC001238112359 1100363582 /nfs/dbraw/zinc/36/35/82/1100363582.db2.gz CXGSCNASOQIQIH-UHFFFAOYSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117369 1100366971 /nfs/dbraw/zinc/36/69/71/1100366971.db2.gz YBZHNIXLYSRRHO-SFHVURJKSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117369 1100366980 /nfs/dbraw/zinc/36/69/80/1100366980.db2.gz YBZHNIXLYSRRHO-SFHVURJKSA-N 2 2 322.412 3.081 20 0 DGADLP CC(C)[N@H+](Cc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](C)CC1 ZINC001238198468 1100387826 /nfs/dbraw/zinc/38/78/26/1100387826.db2.gz ACAGZCJSHNWMPL-UHFFFAOYSA-N 2 2 312.461 3.381 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](C)CC1 ZINC001238198468 1100387835 /nfs/dbraw/zinc/38/78/35/1100387835.db2.gz ACAGZCJSHNWMPL-UHFFFAOYSA-N 2 2 312.461 3.381 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(OC(C)C)c1 ZINC001238465135 1100451561 /nfs/dbraw/zinc/45/15/61/1100451561.db2.gz RRCLGIMJDJSMST-UHFFFAOYSA-N 2 2 305.397 3.332 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(OC(C)C)c1 ZINC001238465135 1100451568 /nfs/dbraw/zinc/45/15/68/1100451568.db2.gz RRCLGIMJDJSMST-UHFFFAOYSA-N 2 2 305.397 3.332 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC2(CO1)CCCCC2 ZINC001191498729 1100482200 /nfs/dbraw/zinc/48/22/00/1100482200.db2.gz ZRBMNPLHOWJQGW-SQNIBIBYSA-N 2 2 306.494 3.284 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC2(CO1)CCCCC2 ZINC001191498729 1100482204 /nfs/dbraw/zinc/48/22/04/1100482204.db2.gz ZRBMNPLHOWJQGW-SQNIBIBYSA-N 2 2 306.494 3.284 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC2(CO1)CCCCC2 ZINC001191498729 1100482207 /nfs/dbraw/zinc/48/22/07/1100482207.db2.gz ZRBMNPLHOWJQGW-SQNIBIBYSA-N 2 2 306.494 3.284 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC2(CO1)CCCCC2 ZINC001191498729 1100482209 /nfs/dbraw/zinc/48/22/09/1100482209.db2.gz ZRBMNPLHOWJQGW-SQNIBIBYSA-N 2 2 306.494 3.284 20 0 DGADLP C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001192359193 1100609677 /nfs/dbraw/zinc/60/96/77/1100609677.db2.gz VYLWGOBQYNFFLW-QGZVFWFLSA-N 2 2 321.424 3.428 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001192359193 1100609682 /nfs/dbraw/zinc/60/96/82/1100609682.db2.gz VYLWGOBQYNFFLW-QGZVFWFLSA-N 2 2 321.424 3.428 20 0 DGADLP CC[C@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC001193209424 1100717570 /nfs/dbraw/zinc/71/75/70/1100717570.db2.gz GTXDVWBBMPHRNH-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP CC[C@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC001193209424 1100717573 /nfs/dbraw/zinc/71/75/73/1100717573.db2.gz GTXDVWBBMPHRNH-SFHVURJKSA-N 2 2 312.461 3.123 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cnc4ccccc4c3)c2)C1 ZINC001239797172 1100758849 /nfs/dbraw/zinc/75/88/49/1100758849.db2.gz WBGOUKXHSZITHT-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cnc4ccccc4c3)c2)C1 ZINC001239797172 1100758851 /nfs/dbraw/zinc/75/88/51/1100758851.db2.gz WBGOUKXHSZITHT-LJQANCHMSA-N 2 2 303.409 3.435 20 0 DGADLP c1cn2cc(-c3ccc([C@@]45CC[NH2+][C@H]4COCC5)cc3)ccc2[nH+]1 ZINC001240217644 1100899158 /nfs/dbraw/zinc/89/91/58/1100899158.db2.gz KYBSDQVAVCBRMF-ICSRJNTNSA-N 2 2 319.408 3.021 20 0 DGADLP c1cn2cc(-c3ccc(OCC[NH+]4CCCC4)cc3)ccc2[nH+]1 ZINC001240218626 1100900188 /nfs/dbraw/zinc/90/01/88/1100900188.db2.gz TUNIEKGHCYXJFA-UHFFFAOYSA-N 2 2 307.397 3.476 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccnc(C(F)(F)F)c2)C1 ZINC001240342204 1100949203 /nfs/dbraw/zinc/94/92/03/1100949203.db2.gz ZQNYNPIXPFIEOO-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnc(C(F)(F)F)c2)C1 ZINC001240342204 1100949208 /nfs/dbraw/zinc/94/92/08/1100949208.db2.gz ZQNYNPIXPFIEOO-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP CC(C)CCn1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001240420735 1100989379 /nfs/dbraw/zinc/98/93/79/1100989379.db2.gz CKQAHDNZTZVFOK-IBGZPJMESA-N 2 2 312.461 3.129 20 0 DGADLP CC(C)CCn1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001240420735 1100989380 /nfs/dbraw/zinc/98/93/80/1100989380.db2.gz CKQAHDNZTZVFOK-IBGZPJMESA-N 2 2 312.461 3.129 20 0 DGADLP CC(C)CCn1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001240420731 1100989401 /nfs/dbraw/zinc/98/94/01/1100989401.db2.gz CKIQMJUTFUFZIE-IBGZPJMESA-N 2 2 312.461 3.129 20 0 DGADLP CC(C)CCn1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001240420731 1100989406 /nfs/dbraw/zinc/98/94/06/1100989406.db2.gz CKIQMJUTFUFZIE-IBGZPJMESA-N 2 2 312.461 3.129 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(-c4cc[nH]n4)c3)c2)C1 ZINC001240563945 1101050819 /nfs/dbraw/zinc/05/08/19/1101050819.db2.gz PLADTUULLWAYMQ-LJQANCHMSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(-c4cc[nH]n4)c3)c2)C1 ZINC001240563945 1101050823 /nfs/dbraw/zinc/05/08/23/1101050823.db2.gz PLADTUULLWAYMQ-LJQANCHMSA-N 2 2 318.424 3.277 20 0 DGADLP Cn1ccc2ccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc21 ZINC001240575915 1101057075 /nfs/dbraw/zinc/05/70/75/1101057075.db2.gz JODKNTGXUFUXJP-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2ccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc21 ZINC001240575915 1101057082 /nfs/dbraw/zinc/05/70/82/1101057082.db2.gz JODKNTGXUFUXJP-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cncc(C(F)(F)F)c2)C1 ZINC001240793544 1101140435 /nfs/dbraw/zinc/14/04/35/1101140435.db2.gz KVSQIOOESLINIF-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cncc(C(F)(F)F)c2)C1 ZINC001240793544 1101140439 /nfs/dbraw/zinc/14/04/39/1101140439.db2.gz KVSQIOOESLINIF-HNNXBMFYSA-N 2 2 321.346 3.300 20 0 DGADLP Cc1cn2cc(-c3ccc(N4CC[NH+](C)CC4)cc3)ccc2[nH+]1 ZINC001240852273 1101157943 /nfs/dbraw/zinc/15/79/43/1101157943.db2.gz QFUOJLMZIZEREX-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4cccnc43)cc2)C1 ZINC001240896280 1101172417 /nfs/dbraw/zinc/17/24/17/1101172417.db2.gz UCBHMRCDGYUNCU-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4cccnc43)cc2)C1 ZINC001240896280 1101172421 /nfs/dbraw/zinc/17/24/21/1101172421.db2.gz UCBHMRCDGYUNCU-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001240963776 1101199670 /nfs/dbraw/zinc/19/96/70/1101199670.db2.gz VGOAZINOFKZMJK-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c[nH]c2ncc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001240963776 1101199672 /nfs/dbraw/zinc/19/96/72/1101199672.db2.gz VGOAZINOFKZMJK-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Fc1cc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1F ZINC001241109507 1101258131 /nfs/dbraw/zinc/25/81/31/1101258131.db2.gz BBDMSVMGNKTNAL-UHFFFAOYSA-N 2 2 303.287 3.105 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(-n4cccn4)cc3)c2)C1 ZINC001241394365 1101430077 /nfs/dbraw/zinc/43/00/77/1101430077.db2.gz NOYPFMSDMSUQAE-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(-n4cccn4)cc3)c2)C1 ZINC001241394365 1101430084 /nfs/dbraw/zinc/43/00/84/1101430084.db2.gz NOYPFMSDMSUQAE-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001196936012 1101437602 /nfs/dbraw/zinc/43/76/02/1101437602.db2.gz NXWUIVRGDXVIJF-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)ccn1 ZINC001196936012 1101437611 /nfs/dbraw/zinc/43/76/11/1101437611.db2.gz NXWUIVRGDXVIJF-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001241420028 1101445568 /nfs/dbraw/zinc/44/55/68/1101445568.db2.gz RBKWRAZTPIFQAV-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001241420028 1101445573 /nfs/dbraw/zinc/44/55/73/1101445573.db2.gz RBKWRAZTPIFQAV-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1n[nH]c2cc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)ccc12 ZINC001241641699 1101602236 /nfs/dbraw/zinc/60/22/36/1101602236.db2.gz ZKNKNRGTDUUJPI-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2cc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)ccc12 ZINC001241641699 1101602241 /nfs/dbraw/zinc/60/22/41/1101602241.db2.gz ZKNKNRGTDUUJPI-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1[nH]nc2ccc(-c3ccccc3C[NH+]3CCC([NH3+])CC3)cc12 ZINC001241671096 1101624168 /nfs/dbraw/zinc/62/41/68/1101624168.db2.gz QZXRMJWAGFBQRB-UHFFFAOYSA-N 2 2 320.440 3.461 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cnn(-c4ccccc4)c3)cc2)C1 ZINC001241757243 1101689151 /nfs/dbraw/zinc/68/91/51/1101689151.db2.gz IQGFMLWAKMMDKY-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(-c4ccccc4)c3)cc2)C1 ZINC001241757243 1101689158 /nfs/dbraw/zinc/68/91/58/1101689158.db2.gz IQGFMLWAKMMDKY-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4c(c3)CCCN4)c2)C1 ZINC001241836730 1101738913 /nfs/dbraw/zinc/73/89/13/1101738913.db2.gz FQJQREROPUZBFA-IBGZPJMESA-N 2 2 307.441 3.245 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(c3)CCCN4)c2)C1 ZINC001241836730 1101738919 /nfs/dbraw/zinc/73/89/19/1101738919.db2.gz FQJQREROPUZBFA-IBGZPJMESA-N 2 2 307.441 3.245 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2OC(F)F)C1 ZINC001241953467 1101799546 /nfs/dbraw/zinc/79/95/46/1101799546.db2.gz WSOJPCXEKCFRFK-CQSZACIVSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2OC(F)F)C1 ZINC001241953467 1101799554 /nfs/dbraw/zinc/79/95/54/1101799554.db2.gz WSOJPCXEKCFRFK-CQSZACIVSA-N 2 2 318.367 3.488 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)cc1F ZINC001242049401 1101881183 /nfs/dbraw/zinc/88/11/83/1101881183.db2.gz QWPSTXHBKYVPKJ-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)cc1F ZINC001242049401 1101881197 /nfs/dbraw/zinc/88/11/97/1101881197.db2.gz QWPSTXHBKYVPKJ-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COC(=O)[C@@H]([NH3+])c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001242122938 1101922894 /nfs/dbraw/zinc/92/28/94/1101922894.db2.gz RNXUSTLXSJYVCE-IBGZPJMESA-N 2 2 324.424 3.122 20 0 DGADLP C[NH+](C)CCOc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001242149588 1101940215 /nfs/dbraw/zinc/94/02/15/1101940215.db2.gz UCUMMCJUITWULV-UHFFFAOYSA-N 2 2 311.429 3.289 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4c(c3)OCCCO4)c2)C1 ZINC001242207970 1101979104 /nfs/dbraw/zinc/97/91/04/1101979104.db2.gz MGQLEZRXRYIVJF-SFHVURJKSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4c(c3)OCCCO4)c2)C1 ZINC001242207970 1101979108 /nfs/dbraw/zinc/97/91/08/1101979108.db2.gz MGQLEZRXRYIVJF-SFHVURJKSA-N 2 2 324.424 3.048 20 0 DGADLP CCc1[nH]c(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)[nH+]1 ZINC001203244378 1102028755 /nfs/dbraw/zinc/02/87/55/1102028755.db2.gz XSELXEAZCVITPF-INIZCTEOSA-N 2 2 312.461 3.159 20 0 DGADLP COc1cc(F)c(F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242578451 1102222374 /nfs/dbraw/zinc/22/23/74/1102222374.db2.gz HEQGIIUSIQWESX-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(F)c(F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242578451 1102222382 /nfs/dbraw/zinc/22/23/82/1102222382.db2.gz HEQGIIUSIQWESX-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2ccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)cn12 ZINC001242692265 1102287470 /nfs/dbraw/zinc/28/74/70/1102287470.db2.gz DQGQJYCLJRXHPU-GOSISDBHSA-N 3 2 322.456 3.053 20 0 DGADLP CCc1cc(OC)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242700764 1102293368 /nfs/dbraw/zinc/29/33/68/1102293368.db2.gz PORNRGOYOMLNDJ-SFHVURJKSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(OC)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242700764 1102293380 /nfs/dbraw/zinc/29/33/80/1102293380.db2.gz PORNRGOYOMLNDJ-SFHVURJKSA-N 2 2 310.441 3.458 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3OC3CC3)c2)C1 ZINC001242794708 1102347961 /nfs/dbraw/zinc/34/79/61/1102347961.db2.gz MGVRJMQSSBZYDI-QGZVFWFLSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3OC3CC3)c2)C1 ZINC001242794708 1102347974 /nfs/dbraw/zinc/34/79/74/1102347974.db2.gz MGVRJMQSSBZYDI-QGZVFWFLSA-N 2 2 308.425 3.428 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902047 1102395854 /nfs/dbraw/zinc/39/58/54/1102395854.db2.gz HBFKAPHZBPXZEC-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001205902047 1102395869 /nfs/dbraw/zinc/39/58/69/1102395869.db2.gz HBFKAPHZBPXZEC-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP Fc1ccc(/C=C\C[NH2+]CCCNc2cccc[nH+]2)c(F)c1 ZINC001200902191 1102443888 /nfs/dbraw/zinc/44/38/88/1102443888.db2.gz PXWTXGZQXRALSX-HYXAFXHYSA-N 2 2 303.356 3.465 20 0 DGADLP CSc1ncc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC001243158439 1102561562 /nfs/dbraw/zinc/56/15/62/1102561562.db2.gz OJRSUDHAOCUMES-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC001243158439 1102561570 /nfs/dbraw/zinc/56/15/70/1102561570.db2.gz OJRSUDHAOCUMES-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP COc1c(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001243226062 1102602961 /nfs/dbraw/zinc/60/29/61/1102602961.db2.gz XHIPFQOONUDWGM-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001243226062 1102602966 /nfs/dbraw/zinc/60/29/66/1102602966.db2.gz XHIPFQOONUDWGM-HNNXBMFYSA-N 2 2 318.367 3.173 20 0 DGADLP Cn1c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc2ccccc21 ZINC001243353692 1102676725 /nfs/dbraw/zinc/67/67/25/1102676725.db2.gz YGPUQWOEIIZZBK-UHFFFAOYSA-N 2 2 302.381 3.180 20 0 DGADLP CC[C@H](C)C[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201711317 1102698774 /nfs/dbraw/zinc/69/87/74/1102698774.db2.gz FDGUOTODPPPYEF-ZDUSSCGKSA-N 2 2 317.477 3.247 20 0 DGADLP Nc1ccc(Cl)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001243486399 1102751434 /nfs/dbraw/zinc/75/14/34/1102751434.db2.gz ILUNMCCMHACZRF-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(Cl)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001243486399 1102751443 /nfs/dbraw/zinc/75/14/43/1102751443.db2.gz ILUNMCCMHACZRF-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Cc1cc(-c2cccc(N3CC[NH+](C)CC3)c2)c2[nH+]ccn2c1 ZINC001243670206 1102903485 /nfs/dbraw/zinc/90/34/85/1102903485.db2.gz FWOOBSUYIZYAJA-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCC(F)(F)F)[C@@H]2C ZINC001202329247 1102946576 /nfs/dbraw/zinc/94/65/76/1102946576.db2.gz QLOVGVOXPHAOJL-GFCCVEGCSA-N 2 2 318.387 3.052 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCC(F)(F)F)[C@@H]2C ZINC001202329247 1102946582 /nfs/dbraw/zinc/94/65/82/1102946582.db2.gz QLOVGVOXPHAOJL-GFCCVEGCSA-N 2 2 318.387 3.052 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCC(F)(F)F)[C@@H]2C ZINC001202329247 1102946592 /nfs/dbraw/zinc/94/65/92/1102946592.db2.gz QLOVGVOXPHAOJL-GFCCVEGCSA-N 2 2 318.387 3.052 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCC(F)(F)F)[C@H]2C ZINC001202329249 1102946772 /nfs/dbraw/zinc/94/67/72/1102946772.db2.gz QLOVGVOXPHAOJL-LBPRGKRZSA-N 2 2 318.387 3.052 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCC(F)(F)F)[C@H]2C ZINC001202329249 1102946778 /nfs/dbraw/zinc/94/67/78/1102946778.db2.gz QLOVGVOXPHAOJL-LBPRGKRZSA-N 2 2 318.387 3.052 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCC(F)(F)F)[C@H]2C ZINC001202329249 1102946796 /nfs/dbraw/zinc/94/67/96/1102946796.db2.gz QLOVGVOXPHAOJL-LBPRGKRZSA-N 2 2 318.387 3.052 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(CO)c(Cl)c3)c2)C1 ZINC001243821433 1102995452 /nfs/dbraw/zinc/99/54/52/1102995452.db2.gz GMCVQHOIFDFVMH-QGZVFWFLSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(CO)c(Cl)c3)c2)C1 ZINC001243821433 1102995461 /nfs/dbraw/zinc/99/54/61/1102995461.db2.gz GMCVQHOIFDFVMH-QGZVFWFLSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(CO)c(Cl)c3)cc2)C1 ZINC001243821720 1102995505 /nfs/dbraw/zinc/99/55/05/1102995505.db2.gz JNPUMKCCTYOEOE-QGZVFWFLSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(CO)c(Cl)c3)cc2)C1 ZINC001243821720 1102995511 /nfs/dbraw/zinc/99/55/11/1102995511.db2.gz JNPUMKCCTYOEOE-QGZVFWFLSA-N 2 2 316.832 3.032 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)sc2C1 ZINC001325624849 1103084540 /nfs/dbraw/zinc/08/45/40/1103084540.db2.gz GIZXPAQJMUPVDK-QWHCGFSZSA-N 2 2 305.491 3.032 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC001325744803 1103114072 /nfs/dbraw/zinc/11/40/72/1103114072.db2.gz VKNCILXNYGZOAV-FZMZJTMJSA-N 2 2 323.234 3.090 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC001326035632 1103188489 /nfs/dbraw/zinc/18/84/89/1103188489.db2.gz LBPHRGDILCWNKK-NXEZZACHSA-N 2 2 303.219 3.237 20 0 DGADLP Clc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c2n[nH]cc21 ZINC001244389408 1103403154 /nfs/dbraw/zinc/40/31/54/1103403154.db2.gz UHKRIFNNOIBFOO-UHFFFAOYSA-N 2 2 323.787 3.218 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276319998 1103488662 /nfs/dbraw/zinc/48/86/62/1103488662.db2.gz MZLVHCFMAZQOBY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276319998 1103488670 /nfs/dbraw/zinc/48/86/70/1103488670.db2.gz MZLVHCFMAZQOBY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276319998 1103488677 /nfs/dbraw/zinc/48/86/77/1103488677.db2.gz MZLVHCFMAZQOBY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276319998 1103488681 /nfs/dbraw/zinc/48/86/81/1103488681.db2.gz MZLVHCFMAZQOBY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP CC/C=C/CC[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001490228440 1103513819 /nfs/dbraw/zinc/51/38/19/1103513819.db2.gz GMIWCBFAJLPGPN-BQYQJAHWSA-N 2 2 317.477 3.415 20 0 DGADLP CC/C=C/CC[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001490228440 1103513824 /nfs/dbraw/zinc/51/38/24/1103513824.db2.gz GMIWCBFAJLPGPN-BQYQJAHWSA-N 2 2 317.477 3.415 20 0 DGADLP Clc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC001327512570 1103667190 /nfs/dbraw/zinc/66/71/90/1103667190.db2.gz QMLIETMJBVXIGF-KBXCAEBGSA-N 2 2 315.848 3.414 20 0 DGADLP CC[C@H](C)C[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001490705196 1103699609 /nfs/dbraw/zinc/69/96/09/1103699609.db2.gz JCCNLTDOQKVKIE-YVEFUNNKSA-N 2 2 317.477 3.151 20 0 DGADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC(C)C ZINC001139060532 1103732048 /nfs/dbraw/zinc/73/20/48/1103732048.db2.gz PMIFTYREZCGJGX-UHFFFAOYSA-N 2 2 304.478 3.387 20 0 DGADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC(C)C ZINC001139060532 1103732056 /nfs/dbraw/zinc/73/20/56/1103732056.db2.gz PMIFTYREZCGJGX-UHFFFAOYSA-N 2 2 304.478 3.387 20 0 DGADLP Nc1c(Cl)cccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245180470 1103895438 /nfs/dbraw/zinc/89/54/38/1103895438.db2.gz HDSGHWZOQJOACU-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1c(Cl)cccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245180470 1103895451 /nfs/dbraw/zinc/89/54/51/1103895451.db2.gz HDSGHWZOQJOACU-CQSZACIVSA-N 2 2 301.821 3.122 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cncc(OCC4CC4)c3)c2)C1 ZINC001245247064 1103936342 /nfs/dbraw/zinc/93/63/42/1103936342.db2.gz NBBNKQQOJLZIKY-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cncc(OCC4CC4)c3)c2)C1 ZINC001245247064 1103936352 /nfs/dbraw/zinc/93/63/52/1103936352.db2.gz NBBNKQQOJLZIKY-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)nc2)c[nH+]1 ZINC001245349210 1103997241 /nfs/dbraw/zinc/99/72/41/1103997241.db2.gz SNZWWEPDLBPRNM-SFHVURJKSA-N 2 2 304.397 3.418 20 0 DGADLP Cc1cc(N2CCOCC2)[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245350669 1103998934 /nfs/dbraw/zinc/99/89/34/1103998934.db2.gz NWQMXBPPVOBXMF-IBGZPJMESA-N 2 2 323.440 3.318 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354479 1104001278 /nfs/dbraw/zinc/00/12/78/1104001278.db2.gz HLTJLQZVZPBWJK-LEWJYISDSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354479 1104001288 /nfs/dbraw/zinc/00/12/88/1104001288.db2.gz HLTJLQZVZPBWJK-LEWJYISDSA-N 3 2 321.468 3.311 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3OC(C)C)C[C@H]2C1 ZINC001137140720 1104007571 /nfs/dbraw/zinc/00/75/71/1104007571.db2.gz NJMMAOAILNDFEF-QZTJIDSGSA-N 2 2 302.462 3.247 20 0 DGADLP Cc1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001137154582 1104019158 /nfs/dbraw/zinc/01/91/58/1104019158.db2.gz MKPDJEFGJQWGGX-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504260 1104291176 /nfs/dbraw/zinc/29/11/76/1104291176.db2.gz ZKIXPMRYXFVRJN-WFASDCNBSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504260 1104291184 /nfs/dbraw/zinc/29/11/84/1104291184.db2.gz ZKIXPMRYXFVRJN-WFASDCNBSA-N 2 2 305.466 3.103 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001245908944 1104302370 /nfs/dbraw/zinc/30/23/70/1104302370.db2.gz DGAWPZDUNVOIHO-LJQANCHMSA-N 3 2 309.457 3.080 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001245908944 1104302378 /nfs/dbraw/zinc/30/23/78/1104302378.db2.gz DGAWPZDUNVOIHO-LJQANCHMSA-N 3 2 309.457 3.080 20 0 DGADLP C[C@](O)(C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056509 1104361309 /nfs/dbraw/zinc/36/13/09/1104361309.db2.gz VWUXIEXMHHXRBV-RTWAWAEBSA-N 2 2 324.468 3.148 20 0 DGADLP C[C@](O)(C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056509 1104361318 /nfs/dbraw/zinc/36/13/18/1104361318.db2.gz VWUXIEXMHHXRBV-RTWAWAEBSA-N 2 2 324.468 3.148 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246074958 1104370422 /nfs/dbraw/zinc/37/04/22/1104370422.db2.gz HKWYICKQMOUNLV-MAUKXSAKSA-N 2 2 302.368 3.112 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246089782 1104379198 /nfs/dbraw/zinc/37/91/98/1104379198.db2.gz DRQOKOQRJODXLU-TURNYIBQSA-N 2 2 320.786 3.229 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246089779 1104379297 /nfs/dbraw/zinc/37/92/97/1104379297.db2.gz DRQOKOQRJODXLU-DFKRKDTASA-N 2 2 320.786 3.229 20 0 DGADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246095127 1104382151 /nfs/dbraw/zinc/38/21/51/1104382151.db2.gz YZNOQMWYVKXHLH-YLJYHZDGSA-N 2 2 324.468 3.175 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246097797 1104384355 /nfs/dbraw/zinc/38/43/55/1104384355.db2.gz NAHVQAGRQICOBZ-IEBWSBKVSA-N 3 2 321.484 3.249 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c(F)c1 ZINC001246101005 1104386353 /nfs/dbraw/zinc/38/63/53/1104386353.db2.gz WFNCDWQQEZTZJO-ROUUACIJSA-N 2 2 316.395 3.418 20 0 DGADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115444 1104391608 /nfs/dbraw/zinc/39/16/08/1104391608.db2.gz YUIKCTBYNPUWLC-MJBXVCDLSA-N 2 2 314.470 3.360 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1)C2 ZINC001246144343 1104404231 /nfs/dbraw/zinc/40/42/31/1104404231.db2.gz TZNYMSLCTMCFCQ-QFUCXCTJSA-N 2 2 322.452 3.245 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246146155 1104406103 /nfs/dbraw/zinc/40/61/03/1104406103.db2.gz ZAPYNZWDRJMRSH-CVAIRZPRSA-N 2 2 310.441 3.319 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2F)CC[NH2+]1 ZINC001246158539 1104409856 /nfs/dbraw/zinc/40/98/56/1104409856.db2.gz LVCAHIPGSZWDAK-GXTWGEPZSA-N 2 2 300.368 3.360 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)C[C@H](C)[NH2+]1 ZINC001246207251 1104437313 /nfs/dbraw/zinc/43/73/13/1104437313.db2.gz CUCQDSBKWNUBEM-DDFAGTSDSA-N 2 2 315.230 3.207 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246224234 1104446558 /nfs/dbraw/zinc/44/65/58/1104446558.db2.gz FTCKKHSNTXWUAC-GFCCVEGCSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246252740 1104460166 /nfs/dbraw/zinc/46/01/66/1104460166.db2.gz BVLMRYFSGGQSGL-KRWDZBQOSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC001246253483 1104461149 /nfs/dbraw/zinc/46/11/49/1104461149.db2.gz MMHNPNRKVAMQIJ-RYUDHWBXSA-N 2 2 311.267 3.414 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC001246253481 1104461315 /nfs/dbraw/zinc/46/13/15/1104461315.db2.gz MMHNPNRKVAMQIJ-NWDGAFQWSA-N 2 2 311.267 3.414 20 0 DGADLP FC(F)(F)Oc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246260819 1104464374 /nfs/dbraw/zinc/46/43/74/1104464374.db2.gz SZVYCHVPJWQOAS-SMDDNHRTSA-N 2 2 314.351 3.304 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C[NH2+]1 ZINC001246272806 1104469275 /nfs/dbraw/zinc/46/92/75/1104469275.db2.gz WKCMCOAVDXJGMU-JEBQAFNWSA-N 2 2 306.425 3.024 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246280391 1104472306 /nfs/dbraw/zinc/47/23/06/1104472306.db2.gz UNOFLHBSFZMIKA-CZUORRHYSA-N 2 2 320.358 3.251 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C[NH2+]1 ZINC001246285147 1104474375 /nfs/dbraw/zinc/47/43/75/1104474375.db2.gz GIMMDZKJDWSAIF-HSGBFHSBSA-N 2 2 308.425 3.255 20 0 DGADLP Oc1cccc(-c2ccc([C@H]3C[C@@H]3[NH2+][C@H]3CCC[NH2+]C3)cc2)c1 ZINC001246293412 1104475658 /nfs/dbraw/zinc/47/56/58/1104475658.db2.gz ZPUROMKWKDCFGJ-SXLOBPIMSA-N 2 2 308.425 3.257 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC001330129023 1104486442 /nfs/dbraw/zinc/48/64/42/1104486442.db2.gz VZYFAVPTUUZLNE-CQSZACIVSA-N 2 2 320.396 3.393 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246332599 1104495968 /nfs/dbraw/zinc/49/59/68/1104495968.db2.gz FYODGDUDNOCBBP-NEWSRXKRSA-N 3 2 317.521 3.250 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246332599 1104495973 /nfs/dbraw/zinc/49/59/73/1104495973.db2.gz FYODGDUDNOCBBP-NEWSRXKRSA-N 3 2 317.521 3.250 20 0 DGADLP COc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1OC ZINC001246353154 1104503950 /nfs/dbraw/zinc/50/39/50/1104503950.db2.gz USXNDPYYNUYGFB-MDZLAQPJSA-N 2 2 312.841 3.148 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246367758 1104511428 /nfs/dbraw/zinc/51/14/28/1104511428.db2.gz MVLDHZVFQLJXMR-RHSMWYFYSA-N 2 2 317.477 3.269 20 0 DGADLP Fc1ccc([C@@H](CC2CCOCC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246462190 1104549686 /nfs/dbraw/zinc/54/96/86/1104549686.db2.gz YKJBVXOQPQVDGF-ZWKOTPCHSA-N 2 2 306.425 3.025 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001274952797 1104554665 /nfs/dbraw/zinc/55/46/65/1104554665.db2.gz JHCKMFWQGGVFBR-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001274952797 1104554669 /nfs/dbraw/zinc/55/46/69/1104554669.db2.gz JHCKMFWQGGVFBR-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(F)cc1Cl)C2 ZINC001274952797 1104554677 /nfs/dbraw/zinc/55/46/77/1104554677.db2.gz JHCKMFWQGGVFBR-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(F)cc1Cl)C2 ZINC001274952797 1104554685 /nfs/dbraw/zinc/55/46/85/1104554685.db2.gz JHCKMFWQGGVFBR-QGZVFWFLSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993671 1104572234 /nfs/dbraw/zinc/57/22/34/1104572234.db2.gz BDRANELMOSOHMW-QGZVFWFLSA-N 2 2 312.379 3.064 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993671 1104572240 /nfs/dbraw/zinc/57/22/40/1104572240.db2.gz BDRANELMOSOHMW-QGZVFWFLSA-N 2 2 312.379 3.064 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993671 1104572251 /nfs/dbraw/zinc/57/22/51/1104572251.db2.gz BDRANELMOSOHMW-QGZVFWFLSA-N 2 2 312.379 3.064 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1cc(F)c(F)cc1F)C2 ZINC001274993671 1104572258 /nfs/dbraw/zinc/57/22/58/1104572258.db2.gz BDRANELMOSOHMW-QGZVFWFLSA-N 2 2 312.379 3.064 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H](C)Cc2cccc(F)c2)c1 ZINC001246513919 1104572603 /nfs/dbraw/zinc/57/26/03/1104572603.db2.gz YHJTYZAEQYQIII-UGSOOPFHSA-N 2 2 302.393 3.055 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H](C)Cc2ccc(F)cc2)c1 ZINC001246513601 1104572774 /nfs/dbraw/zinc/57/27/74/1104572774.db2.gz YDRRJIOHGZPEEB-SCLBCKFNSA-N 2 2 302.393 3.055 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246549285 1104590597 /nfs/dbraw/zinc/59/05/97/1104590597.db2.gz ICRWTIOOWFTSJY-HOJAQTOUSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549285 1104590605 /nfs/dbraw/zinc/59/06/05/1104590605.db2.gz ICRWTIOOWFTSJY-HOJAQTOUSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549285 1104590612 /nfs/dbraw/zinc/59/06/12/1104590612.db2.gz ICRWTIOOWFTSJY-HOJAQTOUSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549285 1104590616 /nfs/dbraw/zinc/59/06/16/1104590616.db2.gz ICRWTIOOWFTSJY-HOJAQTOUSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246572622 1104602348 /nfs/dbraw/zinc/60/23/48/1104602348.db2.gz OMEZPTRAOYUVMD-VXGBXAGGSA-N 2 2 316.823 3.481 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246572622 1104602354 /nfs/dbraw/zinc/60/23/54/1104602354.db2.gz OMEZPTRAOYUVMD-VXGBXAGGSA-N 2 2 316.823 3.481 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246601071 1104618835 /nfs/dbraw/zinc/61/88/35/1104618835.db2.gz GHYMYTMAJNNZMA-FQEVSTJZSA-N 3 2 321.553 3.495 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246601071 1104618840 /nfs/dbraw/zinc/61/88/40/1104618840.db2.gz GHYMYTMAJNNZMA-FQEVSTJZSA-N 3 2 321.553 3.495 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246609674 1104624260 /nfs/dbraw/zinc/62/42/60/1104624260.db2.gz IPOQVYHNKOHNKX-XJKSGUPXSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246609674 1104624263 /nfs/dbraw/zinc/62/42/63/1104624263.db2.gz IPOQVYHNKOHNKX-XJKSGUPXSA-N 2 2 312.379 3.464 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610562 1104626650 /nfs/dbraw/zinc/62/66/50/1104626650.db2.gz PIIFTTHQMOVJGJ-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610562 1104626654 /nfs/dbraw/zinc/62/66/54/1104626654.db2.gz PIIFTTHQMOVJGJ-CRAIPNDOSA-N 2 2 306.400 3.040 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612298 1104626948 /nfs/dbraw/zinc/62/69/48/1104626948.db2.gz IGWILOIBDACAHJ-APWZRJJASA-N 2 2 302.462 3.234 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612298 1104626951 /nfs/dbraw/zinc/62/69/51/1104626951.db2.gz IGWILOIBDACAHJ-APWZRJJASA-N 2 2 302.462 3.234 20 0 DGADLP CCCCCC[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275126127 1104638165 /nfs/dbraw/zinc/63/81/65/1104638165.db2.gz FPVLRSSYGJEBTH-KDURUIRLSA-N 3 2 318.509 3.107 20 0 DGADLP CCCCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275126127 1104638170 /nfs/dbraw/zinc/63/81/70/1104638170.db2.gz FPVLRSSYGJEBTH-KDURUIRLSA-N 3 2 318.509 3.107 20 0 DGADLP CCCCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275126127 1104638174 /nfs/dbraw/zinc/63/81/74/1104638174.db2.gz FPVLRSSYGJEBTH-KDURUIRLSA-N 3 2 318.509 3.107 20 0 DGADLP CCCCCC[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275126127 1104638180 /nfs/dbraw/zinc/63/81/80/1104638180.db2.gz FPVLRSSYGJEBTH-KDURUIRLSA-N 3 2 318.509 3.107 20 0 DGADLP CCn1ccnc1C[NH+]1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001275151454 1104653610 /nfs/dbraw/zinc/65/36/10/1104653610.db2.gz FFPHSTVJTWPHHQ-UHFFFAOYSA-N 2 2 318.509 3.237 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246666389 1104654674 /nfs/dbraw/zinc/65/46/74/1104654674.db2.gz UNWZIIVHEULYHG-IIAWOOMASA-N 2 2 308.491 3.364 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246666389 1104654679 /nfs/dbraw/zinc/65/46/79/1104654679.db2.gz UNWZIIVHEULYHG-IIAWOOMASA-N 2 2 308.491 3.364 20 0 DGADLP Clc1cccc(OC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246781476 1104670743 /nfs/dbraw/zinc/67/07/43/1104670743.db2.gz FXQKURTWILQATQ-OAHLLOKOSA-N 2 2 308.853 3.325 20 0 DGADLP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3F)CC2)C[C@H](CC)[NH2+]1 ZINC001246779964 1104671081 /nfs/dbraw/zinc/67/10/81/1104671081.db2.gz RLQFXWRTODBJMA-FVQHAEBGSA-N 2 2 319.468 3.257 20 0 DGADLP Cn1cccc1C[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275234414 1104685696 /nfs/dbraw/zinc/68/56/96/1104685696.db2.gz QRXRQWTYSPSZFV-IBGZPJMESA-N 2 2 301.478 3.256 20 0 DGADLP Cn1cccc1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275234414 1104685701 /nfs/dbraw/zinc/68/57/01/1104685701.db2.gz QRXRQWTYSPSZFV-IBGZPJMESA-N 2 2 301.478 3.256 20 0 DGADLP Cn1cccc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275234414 1104685706 /nfs/dbraw/zinc/68/57/06/1104685706.db2.gz QRXRQWTYSPSZFV-IBGZPJMESA-N 2 2 301.478 3.256 20 0 DGADLP Cn1cccc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275234414 1104685710 /nfs/dbraw/zinc/68/57/10/1104685710.db2.gz QRXRQWTYSPSZFV-IBGZPJMESA-N 2 2 301.478 3.256 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246839748 1104699829 /nfs/dbraw/zinc/69/98/29/1104699829.db2.gz KDBTVUQEMGBOSU-IUODEOHRSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246839748 1104699833 /nfs/dbraw/zinc/69/98/33/1104699833.db2.gz KDBTVUQEMGBOSU-IUODEOHRSA-N 2 2 311.267 3.412 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866689 1104712157 /nfs/dbraw/zinc/71/21/57/1104712157.db2.gz FAUMNRKQYWXXPA-FHWLQOOXSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866689 1104712165 /nfs/dbraw/zinc/71/21/65/1104712165.db2.gz FAUMNRKQYWXXPA-FHWLQOOXSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001246881221 1104719635 /nfs/dbraw/zinc/71/96/35/1104719635.db2.gz YYVGCBSLSZEHNY-UXHICEINSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001246881221 1104719641 /nfs/dbraw/zinc/71/96/41/1104719641.db2.gz YYVGCBSLSZEHNY-UXHICEINSA-N 2 2 312.457 3.336 20 0 DGADLP OC1([C@@H]2CCCC[NH2+]2)C[NH+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246897174 1104726758 /nfs/dbraw/zinc/72/67/58/1104726758.db2.gz IJMWWUSSVIELIV-SJORKVTESA-N 2 2 306.494 3.068 20 0 DGADLP C[C@@H]1CC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246933603 1104742965 /nfs/dbraw/zinc/74/29/65/1104742965.db2.gz HJJCIZOIFMKLIL-IIDMSEBBSA-N 2 2 320.452 3.336 20 0 DGADLP C[C@@H]1CC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC001246933603 1104742970 /nfs/dbraw/zinc/74/29/70/1104742970.db2.gz HJJCIZOIFMKLIL-IIDMSEBBSA-N 2 2 320.452 3.336 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246940626 1104745406 /nfs/dbraw/zinc/74/54/06/1104745406.db2.gz JHVGBSBNNGVTHX-WOJBJXKFSA-N 3 2 317.521 3.013 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246940626 1104745410 /nfs/dbraw/zinc/74/54/10/1104745410.db2.gz JHVGBSBNNGVTHX-WOJBJXKFSA-N 3 2 317.521 3.013 20 0 DGADLP Fc1ccc(C[N@H+](C2CCSCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246940437 1104745751 /nfs/dbraw/zinc/74/57/51/1104745751.db2.gz DJNNOHDIQKYCBT-KRWDZBQOSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1ccc(C[N@@H+](C2CCSCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246940437 1104745756 /nfs/dbraw/zinc/74/57/56/1104745756.db2.gz DJNNOHDIQKYCBT-KRWDZBQOSA-N 2 2 308.466 3.275 20 0 DGADLP CCOC(=O)C[N@H+](C1CCCC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246944223 1104746797 /nfs/dbraw/zinc/74/67/97/1104746797.db2.gz BDEYGEPWOGTRRH-QGZVFWFLSA-N 2 2 322.493 3.249 20 0 DGADLP CCOC(=O)C[N@@H+](C1CCCC1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246944223 1104746800 /nfs/dbraw/zinc/74/68/00/1104746800.db2.gz BDEYGEPWOGTRRH-QGZVFWFLSA-N 2 2 322.493 3.249 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948181 1104748712 /nfs/dbraw/zinc/74/87/12/1104748712.db2.gz IPMNRULFJCORBA-NVXWUHKLSA-N 2 2 310.482 3.105 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948181 1104748715 /nfs/dbraw/zinc/74/87/15/1104748715.db2.gz IPMNRULFJCORBA-NVXWUHKLSA-N 2 2 310.482 3.105 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCC[NH2+]C2)cc1 ZINC001246949696 1104749385 /nfs/dbraw/zinc/74/93/85/1104749385.db2.gz PPAFMADXEUKJAB-DZGCQCFKSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@H+]2[C@H]2CCC[NH2+]C2)cc1 ZINC001246949696 1104749389 /nfs/dbraw/zinc/74/93/89/1104749389.db2.gz PPAFMADXEUKJAB-DZGCQCFKSA-N 2 2 314.351 3.474 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979955 1104761416 /nfs/dbraw/zinc/76/14/16/1104761416.db2.gz PKUWLGWQLSSWBV-IEBWSBKVSA-N 3 2 309.542 3.494 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979955 1104761419 /nfs/dbraw/zinc/76/14/19/1104761419.db2.gz PKUWLGWQLSSWBV-IEBWSBKVSA-N 3 2 309.542 3.494 20 0 DGADLP CO[C@@H]1C[N@@H+]([C@H](C)CC(c2ccccc2)c2ccccc2)C[C@@H]1[NH3+] ZINC001246982110 1104762628 /nfs/dbraw/zinc/76/26/28/1104762628.db2.gz BNVUMARSVCLPCZ-TYCQWZJGSA-N 2 2 324.468 3.255 20 0 DGADLP CO[C@@H]1C[N@H+]([C@H](C)CC(c2ccccc2)c2ccccc2)C[C@@H]1[NH3+] ZINC001246982110 1104762635 /nfs/dbraw/zinc/76/26/35/1104762635.db2.gz BNVUMARSVCLPCZ-TYCQWZJGSA-N 2 2 324.468 3.255 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001247001430 1104771054 /nfs/dbraw/zinc/77/10/54/1104771054.db2.gz IPNSPWYXRLMQQB-OUCADQQQSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@@H]1Cc2cccc(Br)c2C[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001247001430 1104771058 /nfs/dbraw/zinc/77/10/58/1104771058.db2.gz IPNSPWYXRLMQQB-OUCADQQQSA-N 2 2 323.278 3.336 20 0 DGADLP CCCOc1cc2[nH]c([C@H]3[C@@H]4C[NH2+]C[C@@H]43)[nH+]c2cc1OCCC ZINC001247019178 1104779815 /nfs/dbraw/zinc/77/98/15/1104779815.db2.gz HFOUMLZTKAEEDU-PBKGOJFUSA-N 2 2 315.417 3.073 20 0 DGADLP Cn1c(CCCC[NH3+])[nH+]c2cc(OCc3ccccc3)ccc21 ZINC001247042374 1104783599 /nfs/dbraw/zinc/78/35/99/1104783599.db2.gz IVDNHZIPWHHJBD-UHFFFAOYSA-N 2 2 309.413 3.434 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823071 1104922583 /nfs/dbraw/zinc/92/25/83/1104922583.db2.gz WHGANTNESPKWMM-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823071 1104922591 /nfs/dbraw/zinc/92/25/91/1104922591.db2.gz WHGANTNESPKWMM-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823071 1104922597 /nfs/dbraw/zinc/92/25/97/1104922597.db2.gz WHGANTNESPKWMM-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275823071 1104922602 /nfs/dbraw/zinc/92/26/02/1104922602.db2.gz WHGANTNESPKWMM-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP C[NH2+][C@@H](CC(C)C)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247629688 1104943492 /nfs/dbraw/zinc/94/34/92/1104943492.db2.gz OASDCBYZPNFLOE-AWEZNQCLSA-N 2 2 311.389 3.229 20 0 DGADLP OCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001276098013 1105016164 /nfs/dbraw/zinc/01/61/64/1105016164.db2.gz PMNRLPLGJITIQW-LJQANCHMSA-N 2 2 318.461 3.002 20 0 DGADLP OCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)o1 ZINC001276098013 1105016170 /nfs/dbraw/zinc/01/61/70/1105016170.db2.gz PMNRLPLGJITIQW-LJQANCHMSA-N 2 2 318.461 3.002 20 0 DGADLP OCc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)o1 ZINC001276098013 1105016177 /nfs/dbraw/zinc/01/61/77/1105016177.db2.gz PMNRLPLGJITIQW-LJQANCHMSA-N 2 2 318.461 3.002 20 0 DGADLP OCc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)o1 ZINC001276098013 1105016185 /nfs/dbraw/zinc/01/61/85/1105016185.db2.gz PMNRLPLGJITIQW-LJQANCHMSA-N 2 2 318.461 3.002 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1[nH]c[nH+]c1C)C2 ZINC001276208103 1105048010 /nfs/dbraw/zinc/04/80/10/1105048010.db2.gz ZYTLGUGHCVXYMQ-KSZLIROESA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1[nH]c[nH+]c1C)C2 ZINC001276208103 1105048018 /nfs/dbraw/zinc/04/80/18/1105048018.db2.gz ZYTLGUGHCVXYMQ-KSZLIROESA-N 2 2 318.509 3.441 20 0 DGADLP C[N@H+](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)C1CCCC1 ZINC001248140024 1105053261 /nfs/dbraw/zinc/05/32/61/1105053261.db2.gz KFANJYZREGEVTP-UHFFFAOYSA-N 2 2 323.400 3.297 20 0 DGADLP C[N@@H+](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)C1CCCC1 ZINC001248140024 1105053269 /nfs/dbraw/zinc/05/32/69/1105053269.db2.gz KFANJYZREGEVTP-UHFFFAOYSA-N 2 2 323.400 3.297 20 0 DGADLP C[N@H+](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C1CCCC1 ZINC001248140844 1105053344 /nfs/dbraw/zinc/05/33/44/1105053344.db2.gz ZAYREYTWAHNHIO-UHFFFAOYSA-N 2 2 323.400 3.297 20 0 DGADLP C[N@@H+](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C1CCCC1 ZINC001248140844 1105053350 /nfs/dbraw/zinc/05/33/50/1105053350.db2.gz ZAYREYTWAHNHIO-UHFFFAOYSA-N 2 2 323.400 3.297 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1Br ZINC001276223323 1105053681 /nfs/dbraw/zinc/05/36/81/1105053681.db2.gz LFXBPNSPUVMUCB-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1Br ZINC001276223323 1105053686 /nfs/dbraw/zinc/05/36/86/1105053686.db2.gz LFXBPNSPUVMUCB-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c(C)cccc3Br)C[C@@H]2C1 ZINC001248624187 1105138049 /nfs/dbraw/zinc/13/80/49/1105138049.db2.gz MFXIFNZUIIWMJH-KBPBESRZSA-N 2 2 323.278 3.141 20 0 DGADLP Cn1ccc(-c2ccc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)cc2)n1 ZINC001248767399 1105158257 /nfs/dbraw/zinc/15/82/57/1105158257.db2.gz GASRDESYLQMRBG-UHFFFAOYSA-N 2 2 324.472 3.146 20 0 DGADLP Cn1ccc(-c2ccc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)cc2)n1 ZINC001248767399 1105158260 /nfs/dbraw/zinc/15/82/60/1105158260.db2.gz GASRDESYLQMRBG-UHFFFAOYSA-N 2 2 324.472 3.146 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC001248802455 1105165067 /nfs/dbraw/zinc/16/50/67/1105165067.db2.gz HGUTZJJXDKTGDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC001248802455 1105165072 /nfs/dbraw/zinc/16/50/72/1105165072.db2.gz HGUTZJJXDKTGDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC001248802455 1105165074 /nfs/dbraw/zinc/16/50/74/1105165074.db2.gz HGUTZJJXDKTGDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC001248802455 1105165077 /nfs/dbraw/zinc/16/50/77/1105165077.db2.gz HGUTZJJXDKTGDA-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248882476 1105185711 /nfs/dbraw/zinc/18/57/11/1105185711.db2.gz QZAIJLNJHDFVJD-CQSZACIVSA-N 2 2 311.389 3.011 20 0 DGADLP CCOc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC001250013326 1105427404 /nfs/dbraw/zinc/42/74/04/1105427404.db2.gz DBECDQWVBWVRNO-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP CCOc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC001250013326 1105427406 /nfs/dbraw/zinc/42/74/06/1105427406.db2.gz DBECDQWVBWVRNO-UHFFFAOYSA-N 2 2 322.412 3.298 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001250113655 1105444685 /nfs/dbraw/zinc/44/46/85/1105444685.db2.gz RRDZIVPSTRUCKF-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001250113655 1105444689 /nfs/dbraw/zinc/44/46/89/1105444689.db2.gz RRDZIVPSTRUCKF-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)ccn1 ZINC001137410100 1105517476 /nfs/dbraw/zinc/51/74/76/1105517476.db2.gz UNSJJVDOLIOXPX-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP COc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1OCC1CC1 ZINC001250522197 1105529595 /nfs/dbraw/zinc/52/95/95/1105529595.db2.gz YKXKOOSEMFOWLQ-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1OCC1CC1 ZINC001250522197 1105529600 /nfs/dbraw/zinc/52/96/00/1105529600.db2.gz YKXKOOSEMFOWLQ-UHFFFAOYSA-N 2 2 318.461 3.010 20 0 DGADLP C[C@H](c1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1)c1ccccc1 ZINC001250561711 1105537751 /nfs/dbraw/zinc/53/77/51/1105537751.db2.gz GDPAIPTZSCKCTL-HNNXBMFYSA-N 2 2 320.440 3.467 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001255968092 1105738777 /nfs/dbraw/zinc/73/87/77/1105738777.db2.gz VQOUIZKWUDONTF-UKRRQHHQSA-N 2 2 324.431 3.132 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001253189072 1105900279 /nfs/dbraw/zinc/90/02/79/1105900279.db2.gz FOGACYXGVVUCDV-LPHOPBHVSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001253189072 1105900281 /nfs/dbraw/zinc/90/02/81/1105900281.db2.gz FOGACYXGVVUCDV-LPHOPBHVSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253189075 1105900324 /nfs/dbraw/zinc/90/03/24/1105900324.db2.gz FOQHQGJLNOMWOJ-PBHICJAKSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253189075 1105900326 /nfs/dbraw/zinc/90/03/26/1105900326.db2.gz FOQHQGJLNOMWOJ-PBHICJAKSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1F ZINC001253210410 1105903690 /nfs/dbraw/zinc/90/36/90/1105903690.db2.gz MMIQFPBUSXVPBC-MAUKXSAKSA-N 2 2 310.457 3.205 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1F ZINC001253407820 1105936309 /nfs/dbraw/zinc/93/63/09/1105936309.db2.gz QGPFYWNYOLVQQM-YOEHRIQHSA-N 2 2 310.457 3.252 20 0 DGADLP FC1(F)CCC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001254219352 1106038005 /nfs/dbraw/zinc/03/80/05/1106038005.db2.gz IGDWNUZSTXRXIU-IYBDPMFKSA-N 2 2 321.415 3.023 20 0 DGADLP FC1(F)CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001254219352 1106038010 /nfs/dbraw/zinc/03/80/10/1106038010.db2.gz IGDWNUZSTXRXIU-IYBDPMFKSA-N 2 2 321.415 3.023 20 0 DGADLP FC1(F)CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001254219352 1106038015 /nfs/dbraw/zinc/03/80/15/1106038015.db2.gz IGDWNUZSTXRXIU-IYBDPMFKSA-N 2 2 321.415 3.023 20 0 DGADLP FC1(F)CCC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001254219352 1106038020 /nfs/dbraw/zinc/03/80/20/1106038020.db2.gz IGDWNUZSTXRXIU-IYBDPMFKSA-N 2 2 321.415 3.023 20 0 DGADLP FC1(F)CCC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001254219351 1106038173 /nfs/dbraw/zinc/03/81/73/1106038173.db2.gz IGDWNUZSTXRXIU-HZPDHXFCSA-N 2 2 321.415 3.023 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506627 1106085174 /nfs/dbraw/zinc/08/51/74/1106085174.db2.gz VUAGIYNFGGPTNG-DOMZBBRYSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506627 1106085178 /nfs/dbraw/zinc/08/51/78/1106085178.db2.gz VUAGIYNFGGPTNG-DOMZBBRYSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525166 1106091742 /nfs/dbraw/zinc/09/17/42/1106091742.db2.gz GVSBILDUCIQKAJ-SJORKVTESA-N 2 2 308.466 3.400 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525166 1106091747 /nfs/dbraw/zinc/09/17/47/1106091747.db2.gz GVSBILDUCIQKAJ-SJORKVTESA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525166 1106091750 /nfs/dbraw/zinc/09/17/50/1106091750.db2.gz GVSBILDUCIQKAJ-SJORKVTESA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001254525166 1106091754 /nfs/dbraw/zinc/09/17/54/1106091754.db2.gz GVSBILDUCIQKAJ-SJORKVTESA-N 2 2 308.466 3.400 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525164 1106092582 /nfs/dbraw/zinc/09/25/82/1106092582.db2.gz GVSBILDUCIQKAJ-IAGOWNOFSA-N 2 2 308.466 3.400 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525164 1106092587 /nfs/dbraw/zinc/09/25/87/1106092587.db2.gz GVSBILDUCIQKAJ-IAGOWNOFSA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525164 1106092589 /nfs/dbraw/zinc/09/25/89/1106092589.db2.gz GVSBILDUCIQKAJ-IAGOWNOFSA-N 2 2 308.466 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254525164 1106092594 /nfs/dbraw/zinc/09/25/94/1106092594.db2.gz GVSBILDUCIQKAJ-IAGOWNOFSA-N 2 2 308.466 3.400 20 0 DGADLP CC[N@H+](C1CCN(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC001254628218 1106116028 /nfs/dbraw/zinc/11/60/28/1106116028.db2.gz PSHUSWHWDRLORJ-UHFFFAOYSA-N 2 2 319.468 3.211 20 0 DGADLP CC[N@@H+](C1CCN(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC001254628218 1106116031 /nfs/dbraw/zinc/11/60/31/1106116031.db2.gz PSHUSWHWDRLORJ-UHFFFAOYSA-N 2 2 319.468 3.211 20 0 DGADLP Brc1cccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254832506 1106145522 /nfs/dbraw/zinc/14/55/22/1106145522.db2.gz GNQHDJKDHROKCW-MRXNPFEDSA-N 2 2 323.278 3.066 20 0 DGADLP Clc1ccc(C2(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254840844 1106146946 /nfs/dbraw/zinc/14/69/46/1106146946.db2.gz PAQRGVBBHAZNHK-KRWDZBQOSA-N 2 2 304.865 3.446 20 0 DGADLP C([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1(CC2CCC2)CCOCC1 ZINC001254848469 1106148746 /nfs/dbraw/zinc/14/87/46/1106148746.db2.gz QUQMPOJXDFWSTH-SFHVURJKSA-N 2 2 306.494 3.047 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862651 1106150689 /nfs/dbraw/zinc/15/06/89/1106150689.db2.gz OQQJFQQLTCIOGB-MOPGFXCFSA-N 2 2 314.473 3.323 20 0 DGADLP Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254862651 1106150692 /nfs/dbraw/zinc/15/06/92/1106150692.db2.gz OQQJFQQLTCIOGB-MOPGFXCFSA-N 2 2 314.473 3.323 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123524 1106184146 /nfs/dbraw/zinc/18/41/46/1106184146.db2.gz CHPSIURQJGVPDB-NNZMDNLPSA-N 2 2 314.473 3.387 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123524 1106184148 /nfs/dbraw/zinc/18/41/48/1106184148.db2.gz CHPSIURQJGVPDB-NNZMDNLPSA-N 2 2 314.473 3.387 20 0 DGADLP CC1(C)CCC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001255304400 1106218968 /nfs/dbraw/zinc/21/89/68/1106218968.db2.gz ITIQQCLTJDPQPN-HDICACEKSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001255304400 1106218970 /nfs/dbraw/zinc/21/89/70/1106218970.db2.gz ITIQQCLTJDPQPN-HDICACEKSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001255304400 1106218971 /nfs/dbraw/zinc/21/89/71/1106218971.db2.gz ITIQQCLTJDPQPN-HDICACEKSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001255304400 1106218973 /nfs/dbraw/zinc/21/89/73/1106218973.db2.gz ITIQQCLTJDPQPN-HDICACEKSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001255305184 1106219265 /nfs/dbraw/zinc/21/92/65/1106219265.db2.gz YGRXVUYYNHNNLL-UHFFFAOYSA-N 2 2 316.493 3.263 20 0 DGADLP CC1(C)CCC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001255305184 1106219270 /nfs/dbraw/zinc/21/92/70/1106219270.db2.gz YGRXVUYYNHNNLL-UHFFFAOYSA-N 2 2 316.493 3.263 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409739 1106248372 /nfs/dbraw/zinc/24/83/72/1106248372.db2.gz LOGHETVDRIOMMW-OALUTQOASA-N 2 2 300.446 3.095 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409739 1106248375 /nfs/dbraw/zinc/24/83/75/1106248375.db2.gz LOGHETVDRIOMMW-OALUTQOASA-N 2 2 300.446 3.095 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409739 1106248379 /nfs/dbraw/zinc/24/83/79/1106248379.db2.gz LOGHETVDRIOMMW-OALUTQOASA-N 2 2 300.446 3.095 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409739 1106248381 /nfs/dbraw/zinc/24/83/81/1106248381.db2.gz LOGHETVDRIOMMW-OALUTQOASA-N 2 2 300.446 3.095 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ncccc1OC)C1CC1 ZINC001255953485 1106349035 /nfs/dbraw/zinc/34/90/35/1106349035.db2.gz RRMPXSPDYBQZOF-PBHICJAKSA-N 2 2 305.466 3.251 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC2CCC2)ccn1 ZINC001255953938 1106349120 /nfs/dbraw/zinc/34/91/20/1106349120.db2.gz QTRSMUWSXUTIDI-HNNXBMFYSA-N 2 2 305.466 3.223 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](Cc1ccccc1)CC(OC)OC ZINC001255957445 1106350098 /nfs/dbraw/zinc/35/00/98/1106350098.db2.gz RWTXGAGXSHFYRG-QGZVFWFLSA-N 2 2 322.493 3.228 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](Cc1ccccc1)CC(OC)OC ZINC001255957445 1106350102 /nfs/dbraw/zinc/35/01/02/1106350102.db2.gz RWTXGAGXSHFYRG-QGZVFWFLSA-N 2 2 322.493 3.228 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)N1CC[NH+](Cc2ccccc2F)CC1 ZINC001255962792 1106351337 /nfs/dbraw/zinc/35/13/37/1106351337.db2.gz ZJEASSSBJNTGBH-QGZVFWFLSA-N 2 2 321.484 3.064 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001255970797 1106353020 /nfs/dbraw/zinc/35/30/20/1106353020.db2.gz FXRICWMBJHXXHD-INIZCTEOSA-N 2 2 307.457 3.068 20 0 DGADLP Cc1ccc(OC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256076240 1106365060 /nfs/dbraw/zinc/36/50/60/1106365060.db2.gz FHLSLLGKVNVBDT-UHFFFAOYSA-N 2 2 314.473 3.465 20 0 DGADLP Fc1cc(F)c2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256073801 1106365644 /nfs/dbraw/zinc/36/56/44/1106365644.db2.gz DVRPIDZOXXOKNX-INIZCTEOSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c(O[C@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256078114 1106365929 /nfs/dbraw/zinc/36/59/29/1106365929.db2.gz UWCJRVYKGQMKFB-INIZCTEOSA-N 2 2 322.399 3.045 20 0 DGADLP Fc1ccc(F)c(O[C@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C2)c1 ZINC001256078114 1106365932 /nfs/dbraw/zinc/36/59/32/1106365932.db2.gz UWCJRVYKGQMKFB-INIZCTEOSA-N 2 2 322.399 3.045 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001256152853 1106379427 /nfs/dbraw/zinc/37/94/27/1106379427.db2.gz PQPKYQOWTARLFR-QAPCUYQASA-N 2 2 302.462 3.090 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001256152853 1106379430 /nfs/dbraw/zinc/37/94/30/1106379430.db2.gz PQPKYQOWTARLFR-QAPCUYQASA-N 2 2 302.462 3.090 20 0 DGADLP C[C@@H](Cc1ccccn1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256404736 1106415916 /nfs/dbraw/zinc/41/59/16/1106415916.db2.gz HCVDLYKSVWHANC-BQFCYCMXSA-N 2 2 310.445 3.184 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256532002 1106435487 /nfs/dbraw/zinc/43/54/87/1106435487.db2.gz WMMCNOXUCCXKJY-MJGOQNOKSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256532002 1106435488 /nfs/dbraw/zinc/43/54/88/1106435488.db2.gz WMMCNOXUCCXKJY-MJGOQNOKSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536605 1106436277 /nfs/dbraw/zinc/43/62/77/1106436277.db2.gz KTYPUTRRBHUYCN-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536605 1106436278 /nfs/dbraw/zinc/43/62/78/1106436278.db2.gz KTYPUTRRBHUYCN-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256538582 1106437838 /nfs/dbraw/zinc/43/78/38/1106437838.db2.gz UFWATZRVFMAROT-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256538582 1106437839 /nfs/dbraw/zinc/43/78/39/1106437839.db2.gz UFWATZRVFMAROT-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538582 1106437841 /nfs/dbraw/zinc/43/78/41/1106437841.db2.gz UFWATZRVFMAROT-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2CCOC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC001256538582 1106437844 /nfs/dbraw/zinc/43/78/44/1106437844.db2.gz UFWATZRVFMAROT-WMZOPIPTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559863 1106445108 /nfs/dbraw/zinc/44/51/08/1106445108.db2.gz OACAVPBMOSUUMK-LSTHTHJFSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559863 1106445110 /nfs/dbraw/zinc/44/51/10/1106445110.db2.gz OACAVPBMOSUUMK-LSTHTHJFSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559863 1106445114 /nfs/dbraw/zinc/44/51/14/1106445114.db2.gz OACAVPBMOSUUMK-LSTHTHJFSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559863 1106445118 /nfs/dbraw/zinc/44/51/18/1106445118.db2.gz OACAVPBMOSUUMK-LSTHTHJFSA-N 2 2 314.473 3.150 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC001256564374 1106445671 /nfs/dbraw/zinc/44/56/71/1106445671.db2.gz ZFCXNJDHFTZTAC-UHFFFAOYSA-N 3 2 307.526 3.246 20 0 DGADLP COc1ncccc1[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001256567243 1106446492 /nfs/dbraw/zinc/44/64/92/1106446492.db2.gz RKKQQOFKCYCUIU-QGZVFWFLSA-N 2 2 317.477 3.394 20 0 DGADLP Cc1cccc(N2CC[NH+](C3CC[NH+](C(C)(C)C)CC3)CC2)c1 ZINC001256568856 1106447617 /nfs/dbraw/zinc/44/76/17/1106447617.db2.gz IBRGNEQXFULUPA-UHFFFAOYSA-N 2 2 315.505 3.380 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH+]2CCN(c3cccc(F)c3)CC2)CC1 ZINC001256576252 1106449101 /nfs/dbraw/zinc/44/91/01/1106449101.db2.gz CKSILIJJVIPVLJ-UHFFFAOYSA-N 2 2 319.468 3.211 20 0 DGADLP C[C@@H]1C(=O)CC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC001256577944 1106449583 /nfs/dbraw/zinc/44/95/83/1106449583.db2.gz ZMCCQDQHKOUBDS-OAHLLOKOSA-N 2 2 306.494 3.473 20 0 DGADLP C[C@@H]1C(=O)CC[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C12CCCC2 ZINC001256577944 1106449586 /nfs/dbraw/zinc/44/95/86/1106449586.db2.gz ZMCCQDQHKOUBDS-OAHLLOKOSA-N 2 2 306.494 3.473 20 0 DGADLP C[NH+]1CCC2(CC1)CC[NH+](C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256576308 1106449642 /nfs/dbraw/zinc/44/96/42/1106449642.db2.gz FKODEMNMVBBDDU-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP CO[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001256612070 1106453411 /nfs/dbraw/zinc/45/34/11/1106453411.db2.gz DFHDUFQQLPTQGY-LPHOPBHVSA-N 2 2 302.462 3.150 20 0 DGADLP CO[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001256612070 1106453416 /nfs/dbraw/zinc/45/34/16/1106453416.db2.gz DFHDUFQQLPTQGY-LPHOPBHVSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001256722097 1106473140 /nfs/dbraw/zinc/47/31/40/1106473140.db2.gz BACKYEWGYOBNOR-RXVVDRJESA-N 2 2 323.484 3.309 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256804528 1106487296 /nfs/dbraw/zinc/48/72/96/1106487296.db2.gz NRRAKVNLICMCGD-HKBOAZHASA-N 2 2 322.452 3.292 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256804528 1106487297 /nfs/dbraw/zinc/48/72/97/1106487297.db2.gz NRRAKVNLICMCGD-HKBOAZHASA-N 2 2 322.452 3.292 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068980 1106533011 /nfs/dbraw/zinc/53/30/11/1106533011.db2.gz QKCYDDROUMSPDT-CRAIPNDOSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001257068980 1106533015 /nfs/dbraw/zinc/53/30/15/1106533015.db2.gz QKCYDDROUMSPDT-CRAIPNDOSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cc(F)cc32)CC1 ZINC001257214153 1106552761 /nfs/dbraw/zinc/55/27/61/1106552761.db2.gz YRLCAIRGCCGUGI-MRXNPFEDSA-N 2 2 310.388 3.251 20 0 DGADLP COc1ccc2cc(CC[C@H](C)[NH2+]CC3C[NH+](C)C3)ccc2c1 ZINC001257275554 1106560640 /nfs/dbraw/zinc/56/06/40/1106560640.db2.gz SSIKWXYFKATQLB-HNNXBMFYSA-N 2 2 312.457 3.321 20 0 DGADLP CCCCCC[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001257357138 1106573452 /nfs/dbraw/zinc/57/34/52/1106573452.db2.gz HVMWSEGEEDMLGX-NEWSRXKRSA-N 2 2 303.494 3.147 20 0 DGADLP CCCCOC(=O)CC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001257400225 1106581789 /nfs/dbraw/zinc/58/17/89/1106581789.db2.gz LUDWENUOZZNBMA-HNNXBMFYSA-N 2 2 307.438 3.032 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257402922 1106582062 /nfs/dbraw/zinc/58/20/62/1106582062.db2.gz DIAUMCXWHXOIGE-MRXNPFEDSA-N 2 2 312.498 3.303 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257402922 1106582064 /nfs/dbraw/zinc/58/20/64/1106582064.db2.gz DIAUMCXWHXOIGE-MRXNPFEDSA-N 2 2 312.498 3.303 20 0 DGADLP CCCC[C@@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257420554 1106585886 /nfs/dbraw/zinc/58/58/86/1106585886.db2.gz NBVVQJNHNMMVDT-CQSZACIVSA-N 2 2 302.422 3.246 20 0 DGADLP CCCC[C@@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257420554 1106585888 /nfs/dbraw/zinc/58/58/88/1106585888.db2.gz NBVVQJNHNMMVDT-CQSZACIVSA-N 2 2 302.422 3.246 20 0 DGADLP c1ccc(N2CCOC3(CC[NH+](C4CCCCC4)CC3)C2)[nH+]c1 ZINC001257457763 1106593822 /nfs/dbraw/zinc/59/38/22/1106593822.db2.gz LMVVRJVFZPVOQY-UHFFFAOYSA-N 2 2 315.461 3.086 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001257510284 1106600161 /nfs/dbraw/zinc/60/01/61/1106600161.db2.gz NNSNFKOCERFFFC-RCCFBDPRSA-N 2 2 301.478 3.414 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001258002995 1106655979 /nfs/dbraw/zinc/65/59/79/1106655979.db2.gz SNXVTEQNCNCAEF-UHFFFAOYSA-N 2 2 315.383 3.310 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001258006924 1106656481 /nfs/dbraw/zinc/65/64/81/1106656481.db2.gz NFIVAYRVMAOTKP-UHFFFAOYSA-N 2 2 315.383 3.310 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)CCO2 ZINC001258005962 1106656646 /nfs/dbraw/zinc/65/66/46/1106656646.db2.gz ZDAULAFNDREZLI-GOSISDBHSA-N 2 2 318.461 3.229 20 0 DGADLP COc1ccccc1C1([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258008058 1106657414 /nfs/dbraw/zinc/65/74/14/1106657414.db2.gz BVTIQAADSCMWPD-UHFFFAOYSA-N 2 2 302.462 3.394 20 0 DGADLP Cc1ccccc1N1CC[NH+](C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258012011 1106658378 /nfs/dbraw/zinc/65/83/78/1106658378.db2.gz RLJFBERTPNHUEL-UHFFFAOYSA-N 2 2 315.505 3.237 20 0 DGADLP COc1ccc(C[N@H+](C)C2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC001258017146 1106659492 /nfs/dbraw/zinc/65/94/92/1106659492.db2.gz TUTPQIDGQLOWRF-UHFFFAOYSA-N 2 2 320.477 3.256 20 0 DGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC001258017146 1106659495 /nfs/dbraw/zinc/65/94/95/1106659495.db2.gz TUTPQIDGQLOWRF-UHFFFAOYSA-N 2 2 320.477 3.256 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC001258170329 1106686033 /nfs/dbraw/zinc/68/60/33/1106686033.db2.gz JGCPBVMBGCHHGH-HUUCEWRRSA-N 2 2 303.450 3.037 20 0 DGADLP Cc1cc(N2CC[NH+](C3CCCCCCC3)CC2)nc(C)[nH+]1 ZINC001258243833 1106704477 /nfs/dbraw/zinc/70/44/77/1106704477.db2.gz YHTGUBKEQOULHD-UHFFFAOYSA-N 2 2 302.466 3.328 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCCC(C)(C)C3)CC2)c1 ZINC001258291337 1106710956 /nfs/dbraw/zinc/71/09/56/1106710956.db2.gz BDFDPKXNWSXTBH-OAHLLOKOSA-N 2 2 303.450 3.181 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258405337 1106731253 /nfs/dbraw/zinc/73/12/53/1106731253.db2.gz DPDQKRMOZMXZQA-INIZCTEOSA-N 2 2 301.434 3.235 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258405337 1106731259 /nfs/dbraw/zinc/73/12/59/1106731259.db2.gz DPDQKRMOZMXZQA-INIZCTEOSA-N 2 2 301.434 3.235 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC001258448413 1106751058 /nfs/dbraw/zinc/75/10/58/1106751058.db2.gz KTUHPEPHZSZRLN-OAHLLOKOSA-N 2 2 302.462 3.438 20 0 DGADLP c1cn(C2CCN(c3ccccc3)CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001258514572 1106791504 /nfs/dbraw/zinc/79/15/04/1106791504.db2.gz MHRXCWAXSZSRCU-MRXNPFEDSA-N 2 2 310.445 3.192 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258599438 1106839950 /nfs/dbraw/zinc/83/99/50/1106839950.db2.gz AVQQFVMNXIZVMA-GUDVDZBRSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258599438 1106839959 /nfs/dbraw/zinc/83/99/59/1106839959.db2.gz AVQQFVMNXIZVMA-GUDVDZBRSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H](C)C[C@@H](CC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001258799726 1106984719 /nfs/dbraw/zinc/98/47/19/1106984719.db2.gz HVVVQTHSNJPPCG-HZPDHXFCSA-N 2 2 305.466 3.427 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC001258830669 1107014135 /nfs/dbraw/zinc/01/41/35/1107014135.db2.gz RCQXKAFEAWXFNE-ZBFHGGJFSA-N 2 2 303.450 3.227 20 0 DGADLP Cc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)[nH+]c2ccccc12 ZINC001321367059 1107333377 /nfs/dbraw/zinc/33/33/77/1107333377.db2.gz QBMPTMKUHNTKNP-INIZCTEOSA-N 2 2 313.445 3.312 20 0 DGADLP Cc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)[nH+]c2ccccc12 ZINC001321367059 1107333395 /nfs/dbraw/zinc/33/33/95/1107333395.db2.gz QBMPTMKUHNTKNP-INIZCTEOSA-N 2 2 313.445 3.312 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001261369882 1107418417 /nfs/dbraw/zinc/41/84/17/1107418417.db2.gz QFZFJPAHTOGSHK-CQSZACIVSA-N 2 2 310.511 3.049 20 0 DGADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(C3([NH3+])CC3)no2)c1 ZINC001262167324 1107635648 /nfs/dbraw/zinc/63/56/48/1107635648.db2.gz IRBNBMVBSMDROX-HNNXBMFYSA-N 2 2 312.417 3.053 20 0 DGADLP Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(C3([NH3+])CC3)no2)c1 ZINC001262167324 1107635652 /nfs/dbraw/zinc/63/56/52/1107635652.db2.gz IRBNBMVBSMDROX-HNNXBMFYSA-N 2 2 312.417 3.053 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC001262562950 1107723669 /nfs/dbraw/zinc/72/36/69/1107723669.db2.gz PZZHKBBOQAWHOM-HOTGVXAUSA-N 2 2 321.852 3.274 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001323831164 1108097781 /nfs/dbraw/zinc/09/77/81/1108097781.db2.gz VGYZRAPBMPRJGT-LBTNJELSSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001323831164 1108097794 /nfs/dbraw/zinc/09/77/94/1108097794.db2.gz VGYZRAPBMPRJGT-LBTNJELSSA-N 2 2 320.864 3.170 20 0 DGADLP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001323881787 1108111952 /nfs/dbraw/zinc/11/19/52/1108111952.db2.gz ZHGJXZQLHOUUHG-RBUKOAKNSA-N 2 2 319.468 3.037 20 0 DGADLP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001323881787 1108111962 /nfs/dbraw/zinc/11/19/62/1108111962.db2.gz ZHGJXZQLHOUUHG-RBUKOAKNSA-N 2 2 319.468 3.037 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSc1ccccc1 ZINC001318819595 1108206261 /nfs/dbraw/zinc/20/62/61/1108206261.db2.gz OTGAFZIAGFQCAN-UHFFFAOYSA-N 2 2 324.409 3.307 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2ccccn2c1 ZINC001318925142 1108240942 /nfs/dbraw/zinc/24/09/42/1108240942.db2.gz PPUJSJUSPIPATE-UHFFFAOYSA-N 2 2 317.352 3.081 20 0 DGADLP CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001318960693 1108255827 /nfs/dbraw/zinc/25/58/27/1108255827.db2.gz BSSYKKGCECVMOA-QAQDUYKDSA-N 2 2 317.477 3.438 20 0 DGADLP CCC[C@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)OC ZINC000387425208 1108460622 /nfs/dbraw/zinc/46/06/22/1108460622.db2.gz NPUPNBMZRXNSRZ-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)OC ZINC000387425208 1108460628 /nfs/dbraw/zinc/46/06/28/1108460628.db2.gz NPUPNBMZRXNSRZ-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842778 1108483106 /nfs/dbraw/zinc/48/31/06/1108483106.db2.gz JFUXOPNPKKUHHZ-HNAYVOBHSA-N 2 2 316.489 3.479 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC001324842778 1108483110 /nfs/dbraw/zinc/48/31/10/1108483110.db2.gz JFUXOPNPKKUHHZ-HNAYVOBHSA-N 2 2 316.489 3.479 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815456 1108648095 /nfs/dbraw/zinc/64/80/95/1108648095.db2.gz VDCKVKGEGWUOPE-KGLIPLIRSA-N 2 2 316.474 3.302 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2C1 ZINC001319815456 1108648096 /nfs/dbraw/zinc/64/80/96/1108648096.db2.gz VDCKVKGEGWUOPE-KGLIPLIRSA-N 2 2 316.474 3.302 20 0 DGADLP c1ccc(COCCCC[N@@H+]2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC000390774782 1108678800 /nfs/dbraw/zinc/67/88/00/1108678800.db2.gz ZOOVUOCDIYTTRG-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COCCCC[N@H+]2CCC[NH+]3CCC[C@H]3C2)cc1 ZINC000390774782 1108678803 /nfs/dbraw/zinc/67/88/03/1108678803.db2.gz ZOOVUOCDIYTTRG-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COCCCC[NH+]2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000390774782 1108678809 /nfs/dbraw/zinc/67/88/09/1108678809.db2.gz ZOOVUOCDIYTTRG-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COCCCC[NH+]2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000390774782 1108678816 /nfs/dbraw/zinc/67/88/16/1108678816.db2.gz ZOOVUOCDIYTTRG-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001266000411 1109060037 /nfs/dbraw/zinc/06/00/37/1109060037.db2.gz CJZRWSAPHNEGFR-KRWDZBQOSA-N 2 2 317.477 3.105 20 0 DGADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432819 1111299288 /nfs/dbraw/zinc/29/92/88/1111299288.db2.gz BMTJXDWVYBLRAU-SJORKVTESA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432819 1111299290 /nfs/dbraw/zinc/29/92/90/1111299290.db2.gz BMTJXDWVYBLRAU-SJORKVTESA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432819 1111299292 /nfs/dbraw/zinc/29/92/92/1111299292.db2.gz BMTJXDWVYBLRAU-SJORKVTESA-N 2 2 310.482 3.452 20 0 DGADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1ccc(C)o1 ZINC001307432819 1111299295 /nfs/dbraw/zinc/29/92/95/1111299295.db2.gz BMTJXDWVYBLRAU-SJORKVTESA-N 2 2 310.482 3.452 20 0 DGADLP CCC[N@H+](C[C@H](O)C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153068 1111385005 /nfs/dbraw/zinc/38/50/05/1111385005.db2.gz DZFIHYKZGRKFAG-FQEVSTJZSA-N 2 2 318.505 3.380 20 0 DGADLP CCC[N@@H+](C[C@H](O)C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308153068 1111385009 /nfs/dbraw/zinc/38/50/09/1111385009.db2.gz DZFIHYKZGRKFAG-FQEVSTJZSA-N 2 2 318.505 3.380 20 0 DGADLP CCC[N@H+](CC1=NOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308154218 1111386037 /nfs/dbraw/zinc/38/60/37/1111386037.db2.gz NZFYVWFIUMIRHG-UHFFFAOYSA-N 2 2 315.461 3.139 20 0 DGADLP CCC[N@@H+](CC1=NOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001308154218 1111386041 /nfs/dbraw/zinc/38/60/41/1111386041.db2.gz NZFYVWFIUMIRHG-UHFFFAOYSA-N 2 2 315.461 3.139 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC001308181082 1111392181 /nfs/dbraw/zinc/39/21/81/1111392181.db2.gz XXXVECWYDXQTES-UHFFFAOYSA-N 2 2 323.510 3.044 20 0 DGADLP CCCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001308189451 1111393616 /nfs/dbraw/zinc/39/36/16/1111393616.db2.gz WWQALGCGUVXUTJ-IRXDYDNUSA-N 2 2 320.477 3.064 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC001308189506 1111393841 /nfs/dbraw/zinc/39/38/41/1111393841.db2.gz ZCIJKEFOPLWIGG-GJZGRUSLSA-N 2 2 310.507 3.290 20 0 DGADLP CCc1onc(C)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001308194712 1111395333 /nfs/dbraw/zinc/39/53/33/1111395333.db2.gz LCMCUBMNPRSCTQ-UHFFFAOYSA-N 2 2 310.401 3.080 20 0 DGADLP Cc1nc(F)ccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001308195018 1111395438 /nfs/dbraw/zinc/39/54/38/1111395438.db2.gz VGFIDJKNXAFFRW-UHFFFAOYSA-N 2 2 310.376 3.064 20 0 DGADLP Clc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC001308209466 1111398313 /nfs/dbraw/zinc/39/83/13/1111398313.db2.gz ZCXUUBTWOYLICB-UHFFFAOYSA-N 2 2 304.806 3.272 20 0 DGADLP CCCC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308248191 1111404307 /nfs/dbraw/zinc/40/43/07/1111404307.db2.gz XORUPLSAHMATTJ-UHFFFAOYSA-N 2 2 320.477 3.066 20 0 DGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC[NH+]1CCC1 ZINC001308358695 1111421014 /nfs/dbraw/zinc/42/10/14/1111421014.db2.gz OCONWXQNOAFTTM-UHFFFAOYSA-N 2 2 316.276 3.245 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)C[NH+](C)C ZINC001308517259 1111437025 /nfs/dbraw/zinc/43/70/25/1111437025.db2.gz BCFVITGTHAXSCW-MRXNPFEDSA-N 2 2 318.486 3.471 20 0 DGADLP CO[C@](C)(C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC001308714595 1111465029 /nfs/dbraw/zinc/46/50/29/1111465029.db2.gz CXKVRMLCUNHPFQ-GOSISDBHSA-N 2 2 308.510 3.437 20 0 DGADLP COC1C[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308807462 1111477858 /nfs/dbraw/zinc/47/78/58/1111477858.db2.gz UACVGVXHYSGIHX-FQEVSTJZSA-N 2 2 316.489 3.255 20 0 DGADLP COC1C[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308807462 1111477860 /nfs/dbraw/zinc/47/78/60/1111477860.db2.gz UACVGVXHYSGIHX-FQEVSTJZSA-N 2 2 316.489 3.255 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC001308841275 1111482986 /nfs/dbraw/zinc/48/29/86/1111482986.db2.gz VTQXYPYHSOWPCE-KZNAEPCWSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC001308841275 1111482989 /nfs/dbraw/zinc/48/29/89/1111482989.db2.gz VTQXYPYHSOWPCE-KZNAEPCWSA-N 2 2 304.865 3.414 20 0 DGADLP CC(C)Cn1nccc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001308883315 1111488499 /nfs/dbraw/zinc/48/84/99/1111488499.db2.gz VXHZSPJDEACWSK-AEFFLSMTSA-N 2 2 306.498 3.091 20 0 DGADLP CC(C)Cn1nccc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001308883315 1111488501 /nfs/dbraw/zinc/48/85/01/1111488501.db2.gz VXHZSPJDEACWSK-AEFFLSMTSA-N 2 2 306.498 3.091 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CCSC1)c1cccc(OC)c1 ZINC000278282915 214065385 /nfs/dbraw/zinc/06/53/85/214065385.db2.gz BFBOSKGYFXWFEJ-YJBOKZPZSA-N 2 2 322.518 3.421 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129039508 432002301 /nfs/dbraw/zinc/00/23/01/432002301.db2.gz XERGSUGABVCLII-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000129039508 432002302 /nfs/dbraw/zinc/00/23/02/432002302.db2.gz XERGSUGABVCLII-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP CC(C)n1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cn1 ZINC000076901032 185052573 /nfs/dbraw/zinc/05/25/73/185052573.db2.gz YRESHHLSRLOIHH-UHFFFAOYSA-N 2 2 311.433 3.073 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(Br)s1)Cn1cc[nH+]c1 ZINC000062254437 432002830 /nfs/dbraw/zinc/00/28/30/432002830.db2.gz QXKQGKRWCVMFKQ-JTQLQIEISA-N 2 2 314.252 3.133 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Cl ZINC000278514407 214204397 /nfs/dbraw/zinc/20/43/97/214204397.db2.gz MJJXIQSFWACOPR-CABCVRRESA-N 2 2 310.869 3.492 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1Cl ZINC000278514407 214204400 /nfs/dbraw/zinc/20/44/00/214204400.db2.gz MJJXIQSFWACOPR-CABCVRRESA-N 2 2 310.869 3.492 20 0 DGADLP Cc1ncc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000278661805 214309982 /nfs/dbraw/zinc/30/99/82/214309982.db2.gz KRHVBJBZSWLUKQ-UHFFFAOYSA-N 2 2 303.431 3.198 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000278695092 214332265 /nfs/dbraw/zinc/33/22/65/214332265.db2.gz NBGGOGIRBKCGLE-UHFFFAOYSA-N 2 2 314.433 3.211 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000278712575 214346477 /nfs/dbraw/zinc/34/64/77/214346477.db2.gz LRFDXOWXBCWBCK-AWEZNQCLSA-N 2 2 310.438 3.226 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664452 231101002 /nfs/dbraw/zinc/10/10/02/231101002.db2.gz OIJAAWRCADYUJQ-DOTOQJQBSA-N 2 2 313.420 3.393 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000309664452 231101005 /nfs/dbraw/zinc/10/10/05/231101005.db2.gz OIJAAWRCADYUJQ-DOTOQJQBSA-N 2 2 313.420 3.393 20 0 DGADLP C[C@H](O)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000278779005 214396142 /nfs/dbraw/zinc/39/61/42/214396142.db2.gz LMZICGHBJBDQCC-AWEZNQCLSA-N 2 2 310.869 3.055 20 0 DGADLP [NH3+][C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000324060571 231221370 /nfs/dbraw/zinc/22/13/70/231221370.db2.gz WKVFRPTZJQABBO-MOPGFXCFSA-N 2 2 314.404 3.021 20 0 DGADLP [NH3+][C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000324060571 231221374 /nfs/dbraw/zinc/22/13/74/231221374.db2.gz WKVFRPTZJQABBO-MOPGFXCFSA-N 2 2 314.404 3.021 20 0 DGADLP [NH3+][C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000324060574 231221911 /nfs/dbraw/zinc/22/19/11/231221911.db2.gz WKVFRPTZJQABBO-OALUTQOASA-N 2 2 314.404 3.021 20 0 DGADLP [NH3+][C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000324060574 231221914 /nfs/dbraw/zinc/22/19/14/231221914.db2.gz WKVFRPTZJQABBO-OALUTQOASA-N 2 2 314.404 3.021 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423462135 529453909 /nfs/dbraw/zinc/45/39/09/529453909.db2.gz KJKXBURQYNWKLI-ZBFHGGJFSA-N 2 2 300.450 3.185 20 0 DGADLP CCc1cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)nc(C)[nH+]1 ZINC000302039156 529557673 /nfs/dbraw/zinc/55/76/73/529557673.db2.gz GZRGUDVSASCSFL-OAHLLOKOSA-N 2 2 320.387 3.340 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000415062216 529610553 /nfs/dbraw/zinc/61/05/53/529610553.db2.gz DVUAJDCCJJIVGX-KXBFYZLASA-N 2 2 304.478 3.291 20 0 DGADLP COCC[C@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000088549861 185257707 /nfs/dbraw/zinc/25/77/07/185257707.db2.gz LGSPOUTWJVAPNQ-INIZCTEOSA-N 2 2 319.493 3.302 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000415065025 529617100 /nfs/dbraw/zinc/61/71/00/529617100.db2.gz LZYLBGJMRDSNPV-LJQANCHMSA-N 2 2 320.440 3.429 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414854179 282240744 /nfs/dbraw/zinc/24/07/44/282240744.db2.gz UONKWNKDVWKQFV-MRXNPFEDSA-N 2 2 320.868 3.297 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000092588045 185327674 /nfs/dbraw/zinc/32/76/74/185327674.db2.gz FBPCJKVLCJLNJJ-WMZOPIPTSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000092588045 185327675 /nfs/dbraw/zinc/32/76/75/185327675.db2.gz FBPCJKVLCJLNJJ-WMZOPIPTSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588045 185327676 /nfs/dbraw/zinc/32/76/76/185327676.db2.gz FBPCJKVLCJLNJJ-WMZOPIPTSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588045 185327677 /nfs/dbraw/zinc/32/76/77/185327677.db2.gz FBPCJKVLCJLNJJ-WMZOPIPTSA-N 2 2 301.478 3.476 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000092648762 185331313 /nfs/dbraw/zinc/33/13/13/185331313.db2.gz GPPWOZJAYIQWDI-UHFFFAOYSA-N 2 2 315.417 3.046 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccnc1 ZINC000092738366 185337961 /nfs/dbraw/zinc/33/79/61/185337961.db2.gz IGPXIGLZSVETOV-INIZCTEOSA-N 2 2 306.413 3.220 20 0 DGADLP CCc1nc(C)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000428350609 529722665 /nfs/dbraw/zinc/72/26/65/529722665.db2.gz YZEGVRKNKAJXSC-UHFFFAOYSA-N 2 2 316.449 3.434 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000129704058 432008201 /nfs/dbraw/zinc/00/82/01/432008201.db2.gz ISXAGGOOFUKEAZ-YGRLFVJLSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000129704058 432008202 /nfs/dbraw/zinc/00/82/02/432008202.db2.gz ISXAGGOOFUKEAZ-YGRLFVJLSA-N 2 2 315.230 3.018 20 0 DGADLP C[N@H+](CC[NH3+])Cc1cccc(OCc2ccccc2Cl)c1 ZINC000415111878 529906579 /nfs/dbraw/zinc/90/65/79/529906579.db2.gz RFHYPHGPXAPBMS-UHFFFAOYSA-N 2 2 304.821 3.310 20 0 DGADLP C[N@@H+](CC[NH3+])Cc1cccc(OCc2ccccc2Cl)c1 ZINC000415111878 529906581 /nfs/dbraw/zinc/90/65/81/529906581.db2.gz RFHYPHGPXAPBMS-UHFFFAOYSA-N 2 2 304.821 3.310 20 0 DGADLP C[NH2+]C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000430928925 529956040 /nfs/dbraw/zinc/95/60/40/529956040.db2.gz VULFTLXRECBDJH-UHFFFAOYSA-N 2 2 303.233 3.056 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cscn1 ZINC000294879227 529999593 /nfs/dbraw/zinc/99/95/93/529999593.db2.gz DYGVXKPBCFSDJN-UHFFFAOYSA-N 2 2 303.475 3.186 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cscn1 ZINC000294879227 529999595 /nfs/dbraw/zinc/99/95/95/529999595.db2.gz DYGVXKPBCFSDJN-UHFFFAOYSA-N 2 2 303.475 3.186 20 0 DGADLP C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435619162 530018557 /nfs/dbraw/zinc/01/85/57/530018557.db2.gz WRGNHGVWBULTAQ-AWEZNQCLSA-N 2 2 321.371 3.194 20 0 DGADLP C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435619162 530018558 /nfs/dbraw/zinc/01/85/58/530018558.db2.gz WRGNHGVWBULTAQ-AWEZNQCLSA-N 2 2 321.371 3.194 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077509 530065732 /nfs/dbraw/zinc/06/57/32/530065732.db2.gz VYFIZPDWOQWBBO-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077509 530065733 /nfs/dbraw/zinc/06/57/33/530065733.db2.gz VYFIZPDWOQWBBO-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077509 530065734 /nfs/dbraw/zinc/06/57/34/530065734.db2.gz VYFIZPDWOQWBBO-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)C1 ZINC000293077509 530065735 /nfs/dbraw/zinc/06/57/35/530065735.db2.gz VYFIZPDWOQWBBO-KRWDZBQOSA-N 2 2 317.458 3.321 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429254205 530057041 /nfs/dbraw/zinc/05/70/41/530057041.db2.gz MGKRPFKBGJMGNT-SNVBAGLBSA-N 2 2 305.344 3.002 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429254205 530057042 /nfs/dbraw/zinc/05/70/42/530057042.db2.gz MGKRPFKBGJMGNT-SNVBAGLBSA-N 2 2 305.344 3.002 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430042891 530058068 /nfs/dbraw/zinc/05/80/68/530058068.db2.gz RIRYNFDWPFAAEP-MRXNPFEDSA-N 2 2 308.853 3.313 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430042891 530058069 /nfs/dbraw/zinc/05/80/69/530058069.db2.gz RIRYNFDWPFAAEP-MRXNPFEDSA-N 2 2 308.853 3.313 20 0 DGADLP CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130072511 432014433 /nfs/dbraw/zinc/01/44/33/432014433.db2.gz UROKYRNTJVBMJC-QGZVFWFLSA-N 2 2 307.401 3.245 20 0 DGADLP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130072511 432014436 /nfs/dbraw/zinc/01/44/36/432014436.db2.gz UROKYRNTJVBMJC-QGZVFWFLSA-N 2 2 307.401 3.245 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000181989183 199371501 /nfs/dbraw/zinc/37/15/01/199371501.db2.gz LLLJJAWRQBLRCI-HZPDHXFCSA-N 2 2 306.450 3.244 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152495123 186078584 /nfs/dbraw/zinc/07/85/84/186078584.db2.gz KFULICPYKMLZOE-JKSUJKDBSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H](C)c1nc2ccccc2s1 ZINC000155693908 186103547 /nfs/dbraw/zinc/10/35/47/186103547.db2.gz YYDBUOJUNCNBRM-STQMWFEESA-N 2 2 300.431 3.275 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1OC ZINC000163849820 186140509 /nfs/dbraw/zinc/14/05/09/186140509.db2.gz BNKMHEZVSKRCAY-CQSZACIVSA-N 2 2 315.417 3.252 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836647 186261174 /nfs/dbraw/zinc/26/11/74/186261174.db2.gz LFHRBJYNJYLGLJ-AEFFLSMTSA-N 2 2 314.429 3.221 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836647 186261176 /nfs/dbraw/zinc/26/11/76/186261176.db2.gz LFHRBJYNJYLGLJ-AEFFLSMTSA-N 2 2 314.429 3.221 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000494426058 282981123 /nfs/dbraw/zinc/98/11/23/282981123.db2.gz AAAKVAUTLSQMLJ-GFCCVEGCSA-N 2 2 313.298 3.146 20 0 DGADLP COc1ccc([C@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)cc1OC ZINC000277179380 213349370 /nfs/dbraw/zinc/34/93/70/213349370.db2.gz VGLVEFGZZNAAIR-HNNXBMFYSA-N 2 2 315.417 3.122 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423137660 282986008 /nfs/dbraw/zinc/98/60/08/282986008.db2.gz WREKXWUBJAEPIH-MSQAHXEGSA-N 2 2 322.399 3.299 20 0 DGADLP CC1(C)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)[NH2+]1 ZINC000072713396 191219846 /nfs/dbraw/zinc/21/98/46/191219846.db2.gz USDHVVRYBBRVQL-UHFFFAOYSA-N 3 2 312.461 3.271 20 0 DGADLP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331799165 234136328 /nfs/dbraw/zinc/13/63/28/234136328.db2.gz LMKWLYVCDWJOLW-NEPJUHHUSA-N 2 2 303.410 3.031 20 0 DGADLP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331799165 234136331 /nfs/dbraw/zinc/13/63/31/234136331.db2.gz LMKWLYVCDWJOLW-NEPJUHHUSA-N 2 2 303.410 3.031 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2Br)C1 ZINC000072859673 191241493 /nfs/dbraw/zinc/24/14/93/191241493.db2.gz XETGKJIVKJBBGQ-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2Br)C1 ZINC000072859673 191241496 /nfs/dbraw/zinc/24/14/96/191241496.db2.gz XETGKJIVKJBBGQ-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000072859673 191241499 /nfs/dbraw/zinc/24/14/99/191241499.db2.gz XETGKJIVKJBBGQ-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000072859673 191241501 /nfs/dbraw/zinc/24/15/01/191241501.db2.gz XETGKJIVKJBBGQ-CYBMUJFWSA-N 2 2 311.267 3.223 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072803503 191231691 /nfs/dbraw/zinc/23/16/91/191231691.db2.gz MZDRMGCULWHTFC-SFHVURJKSA-N 3 2 312.461 3.036 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072803503 191231694 /nfs/dbraw/zinc/23/16/94/191231694.db2.gz MZDRMGCULWHTFC-SFHVURJKSA-N 3 2 312.461 3.036 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000173614678 198232988 /nfs/dbraw/zinc/23/29/88/198232988.db2.gz OAQGXWYPURNDFB-MRXNPFEDSA-N 2 2 317.477 3.093 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000471801897 535216043 /nfs/dbraw/zinc/21/60/43/535216043.db2.gz YQEAIRCEMFIVNN-FUHWJXTLSA-N 2 2 304.478 3.353 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000471801897 535216048 /nfs/dbraw/zinc/21/60/48/535216048.db2.gz YQEAIRCEMFIVNN-FUHWJXTLSA-N 2 2 304.478 3.353 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000182111194 199388806 /nfs/dbraw/zinc/38/88/06/199388806.db2.gz RSEZVUZCKXRCLB-CQSZACIVSA-N 2 2 312.417 3.193 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCOC1 ZINC000163585474 432036085 /nfs/dbraw/zinc/03/60/85/432036085.db2.gz ACTCUGMQTUVNPU-HOCLYGCPSA-N 2 2 322.880 3.319 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCOC1 ZINC000163585294 432036483 /nfs/dbraw/zinc/03/64/83/432036483.db2.gz ACTCUGMQTUVNPU-GOEBONIOSA-N 2 2 322.880 3.319 20 0 DGADLP COc1cccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131801005 432038677 /nfs/dbraw/zinc/03/86/77/432038677.db2.gz KLXZGSGIOSGDPZ-LJQANCHMSA-N 2 2 312.413 3.176 20 0 DGADLP COc1cccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131801005 432038681 /nfs/dbraw/zinc/03/86/81/432038681.db2.gz KLXZGSGIOSGDPZ-LJQANCHMSA-N 2 2 312.413 3.176 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000163804064 432043800 /nfs/dbraw/zinc/04/38/00/432043800.db2.gz MYJQBKNJXCDQSJ-CYBMUJFWSA-N 2 2 303.381 3.382 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2ccco2)N(C)C)n1-c1ccccc1 ZINC000081292511 192247105 /nfs/dbraw/zinc/24/71/05/192247105.db2.gz KUCDNLQSDSTQIW-GOSISDBHSA-N 2 2 324.428 3.166 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000165384393 432055908 /nfs/dbraw/zinc/05/59/08/432055908.db2.gz GLDKLPKLRHGEJY-APWZRJJASA-N 2 2 320.452 3.195 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166258300 432059743 /nfs/dbraw/zinc/05/97/43/432059743.db2.gz IAYFBTLYWLOJFL-RLFYNMQTSA-N 2 2 300.446 3.424 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166258300 432059744 /nfs/dbraw/zinc/05/97/44/432059744.db2.gz IAYFBTLYWLOJFL-RLFYNMQTSA-N 2 2 300.446 3.424 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166305061 432059777 /nfs/dbraw/zinc/05/97/77/432059777.db2.gz NFMOFAPTOGRLAW-VNHYZAJKSA-N 2 2 305.441 3.168 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166305061 432059778 /nfs/dbraw/zinc/05/97/78/432059778.db2.gz NFMOFAPTOGRLAW-VNHYZAJKSA-N 2 2 305.441 3.168 20 0 DGADLP O=C(CC1CC[NH2+]CC1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000166899762 432063247 /nfs/dbraw/zinc/06/32/47/432063247.db2.gz YFOPPAZCHPQQMG-UHFFFAOYSA-N 2 2 312.417 3.159 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857066 432066615 /nfs/dbraw/zinc/06/66/15/432066615.db2.gz FYLMHXSAEGCEMJ-VXNCWWDNSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000167857066 432066617 /nfs/dbraw/zinc/06/66/17/432066617.db2.gz FYLMHXSAEGCEMJ-VXNCWWDNSA-N 3 2 317.521 3.434 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cnn(C)c1 ZINC000167859841 432067048 /nfs/dbraw/zinc/06/70/48/432067048.db2.gz MBAPEZKWIQSRFJ-HUUCEWRRSA-N 2 2 300.450 3.200 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000178426182 198865578 /nfs/dbraw/zinc/86/55/78/198865578.db2.gz GQWDUZCBRRMIOP-OAHLLOKOSA-N 2 2 322.880 3.321 20 0 DGADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578963 283267213 /nfs/dbraw/zinc/26/72/13/283267213.db2.gz COXKSEXTCLDUEA-AEFFLSMTSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578963 283267214 /nfs/dbraw/zinc/26/72/14/283267214.db2.gz COXKSEXTCLDUEA-AEFFLSMTSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578963 283267215 /nfs/dbraw/zinc/26/72/15/283267215.db2.gz COXKSEXTCLDUEA-AEFFLSMTSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000246578963 283267216 /nfs/dbraw/zinc/26/72/16/283267216.db2.gz COXKSEXTCLDUEA-AEFFLSMTSA-N 2 2 317.477 3.210 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(-c2ccccn2)c1)Cn1cc[nH+]c1 ZINC000178742183 198921923 /nfs/dbraw/zinc/92/19/23/198921923.db2.gz LCUPULDIUXMCKB-MRXNPFEDSA-N 2 2 306.413 3.371 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000133900976 432071799 /nfs/dbraw/zinc/07/17/99/432071799.db2.gz BQGVUIYQXVSQHG-MOPGFXCFSA-N 2 2 322.456 3.276 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc[nH+]1 ZINC000133900976 432071801 /nfs/dbraw/zinc/07/18/01/432071801.db2.gz BQGVUIYQXVSQHG-MOPGFXCFSA-N 2 2 322.456 3.276 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000134054263 432073189 /nfs/dbraw/zinc/07/31/89/432073189.db2.gz XRTSQFAOVHWPQT-LPHOPBHVSA-N 2 2 304.478 3.474 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)o2)[C@@H](C)C1 ZINC000134122472 432073440 /nfs/dbraw/zinc/07/34/40/432073440.db2.gz FUFBVHYZUJLJBR-MAUKXSAKSA-N 2 2 308.466 3.069 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)o2)[C@@H](C)C1 ZINC000134122472 432073442 /nfs/dbraw/zinc/07/34/42/432073442.db2.gz FUFBVHYZUJLJBR-MAUKXSAKSA-N 2 2 308.466 3.069 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000134126792 432074065 /nfs/dbraw/zinc/07/40/65/432074065.db2.gz QLCZKCCYZQJKTK-PXNSSMCTSA-N 3 2 319.537 3.127 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179831766 199085923 /nfs/dbraw/zinc/08/59/23/199085923.db2.gz PAZIUCLFFQCPGY-UHFFFAOYSA-N 2 2 312.461 3.348 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)ccc1OCC(C)C ZINC000180088756 199115748 /nfs/dbraw/zinc/11/57/48/199115748.db2.gz BUGHTFZFBLQNMG-OAHLLOKOSA-N 2 2 317.433 3.277 20 0 DGADLP OC1CC[NH+](CCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180211484 199131622 /nfs/dbraw/zinc/13/16/22/199131622.db2.gz ASOCPYSPDBTAOW-UHFFFAOYSA-N 2 2 324.468 3.212 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549823 199173893 /nfs/dbraw/zinc/17/38/93/199173893.db2.gz GMRZJQTWJUPHFX-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549823 199173894 /nfs/dbraw/zinc/17/38/94/199173894.db2.gz GMRZJQTWJUPHFX-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549823 199173896 /nfs/dbraw/zinc/17/38/96/199173896.db2.gz GMRZJQTWJUPHFX-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549823 199173897 /nfs/dbraw/zinc/17/38/97/199173897.db2.gz GMRZJQTWJUPHFX-CYBMUJFWSA-N 2 2 318.490 3.047 20 0 DGADLP Fc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000276593310 212985330 /nfs/dbraw/zinc/98/53/30/212985330.db2.gz WYCLMYKLEGOCAI-UHFFFAOYSA-N 2 2 317.383 3.161 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181083182 199250282 /nfs/dbraw/zinc/25/02/82/199250282.db2.gz HCJSGYNHOORHJW-UHFFFAOYSA-N 2 2 315.417 3.007 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181083182 199250284 /nfs/dbraw/zinc/25/02/84/199250284.db2.gz HCJSGYNHOORHJW-UHFFFAOYSA-N 2 2 315.417 3.007 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000414828935 236888939 /nfs/dbraw/zinc/88/89/39/236888939.db2.gz JYPZZXOKMJZXIO-AWEZNQCLSA-N 2 2 310.319 3.375 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415127966 237099095 /nfs/dbraw/zinc/09/90/95/237099095.db2.gz JBCCXYSXRVQIFV-MJGOQNOKSA-N 3 2 315.505 3.148 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000188349838 200232145 /nfs/dbraw/zinc/23/21/45/200232145.db2.gz VXYZHKWFTRCTNA-UHFFFAOYSA-N 2 2 322.412 3.428 20 0 DGADLP Brc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000188741635 200298568 /nfs/dbraw/zinc/29/85/68/200298568.db2.gz RNJDHFYWVWZPCP-UHFFFAOYSA-N 2 2 313.239 3.006 20 0 DGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1F ZINC000423086660 237822612 /nfs/dbraw/zinc/82/26/12/237822612.db2.gz NQVCLUCJSYUDDJ-CUOATXAZSA-N 2 2 316.342 3.253 20 0 DGADLP CCc1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000134863851 432088445 /nfs/dbraw/zinc/08/84/45/432088445.db2.gz RHVXWNVWDWCRAY-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000134863851 432088447 /nfs/dbraw/zinc/08/84/47/432088447.db2.gz RHVXWNVWDWCRAY-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000134863851 432088449 /nfs/dbraw/zinc/08/84/49/432088449.db2.gz RHVXWNVWDWCRAY-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000134863851 432088451 /nfs/dbraw/zinc/08/84/51/432088451.db2.gz RHVXWNVWDWCRAY-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281199771 216148060 /nfs/dbraw/zinc/14/80/60/216148060.db2.gz CIUUOEDSLLDIDU-CQSZACIVSA-N 2 2 323.868 3.085 20 0 DGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281199771 216148062 /nfs/dbraw/zinc/14/80/62/216148062.db2.gz CIUUOEDSLLDIDU-CQSZACIVSA-N 2 2 323.868 3.085 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000428252360 238013477 /nfs/dbraw/zinc/01/34/77/238013477.db2.gz HHEFWAREWMPPCE-INIZCTEOSA-N 2 2 305.466 3.414 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000428252360 238013478 /nfs/dbraw/zinc/01/34/78/238013478.db2.gz HHEFWAREWMPPCE-INIZCTEOSA-N 2 2 305.466 3.414 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)Cn1cc[nH+]c1 ZINC000428858596 238032788 /nfs/dbraw/zinc/03/27/88/238032788.db2.gz XDKOTDLXNOPJKP-SNVBAGLBSA-N 2 2 303.353 3.389 20 0 DGADLP CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nnc2ccccn21 ZINC000444607224 283561048 /nfs/dbraw/zinc/56/10/48/283561048.db2.gz IAQWPDCHULJMQF-MRXNPFEDSA-N 2 2 315.465 3.036 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000429724802 238059110 /nfs/dbraw/zinc/05/91/10/238059110.db2.gz XQSZXOLNSQNWQQ-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000429724802 238059112 /nfs/dbraw/zinc/05/91/12/238059112.db2.gz XQSZXOLNSQNWQQ-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430562744 238079555 /nfs/dbraw/zinc/07/95/55/238079555.db2.gz GCAMHVCLEXXTOE-YPMHNXCESA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430562744 238079556 /nfs/dbraw/zinc/07/95/56/238079556.db2.gz GCAMHVCLEXXTOE-YPMHNXCESA-N 2 2 305.447 3.271 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563402 238079663 /nfs/dbraw/zinc/07/96/63/238079663.db2.gz IXHOSRLYJXUGBE-AAEUAGOBSA-N 2 2 321.371 3.179 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430563402 238079664 /nfs/dbraw/zinc/07/96/64/238079664.db2.gz IXHOSRLYJXUGBE-AAEUAGOBSA-N 2 2 321.371 3.179 20 0 DGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000430565790 238079868 /nfs/dbraw/zinc/07/98/68/238079868.db2.gz GJRPNBYGHQMASC-HXUWFJFHSA-N 2 2 323.440 3.009 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000430883348 238088807 /nfs/dbraw/zinc/08/88/07/238088807.db2.gz CQUJUHLQAUSVAD-CVEARBPZSA-N 2 2 312.417 3.313 20 0 DGADLP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431158992 238095545 /nfs/dbraw/zinc/09/55/45/238095545.db2.gz FQEZJAKIDPTUFZ-SFHVURJKSA-N 2 2 312.413 3.231 20 0 DGADLP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431158992 238095547 /nfs/dbraw/zinc/09/55/47/238095547.db2.gz FQEZJAKIDPTUFZ-SFHVURJKSA-N 2 2 312.413 3.231 20 0 DGADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C(C)(C)c1ccccc1 ZINC000484467514 299312731 /nfs/dbraw/zinc/31/27/31/299312731.db2.gz AFHXRYZOTWAWDE-YJBOKZPZSA-N 2 2 306.519 3.380 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000449680055 240364293 /nfs/dbraw/zinc/36/42/93/240364293.db2.gz FRKJQTWLSOVLGN-MISYRCLQSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449680055 240364303 /nfs/dbraw/zinc/36/43/03/240364303.db2.gz FRKJQTWLSOVLGN-MISYRCLQSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960576 209342260 /nfs/dbraw/zinc/34/22/60/209342260.db2.gz LLNRIKMREVYHQT-OXQOHEQNSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000271960576 209342262 /nfs/dbraw/zinc/34/22/62/209342262.db2.gz LLNRIKMREVYHQT-OXQOHEQNSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435387219 238298402 /nfs/dbraw/zinc/29/84/02/238298402.db2.gz YKCXNKUSCCRYBZ-LLVKDONJSA-N 2 2 301.415 3.335 20 0 DGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000435387219 238298404 /nfs/dbraw/zinc/29/84/04/238298404.db2.gz YKCXNKUSCCRYBZ-LLVKDONJSA-N 2 2 301.415 3.335 20 0 DGADLP Fc1ccccc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435388282 238298836 /nfs/dbraw/zinc/29/88/36/238298836.db2.gz DQBXILRZGUUBJD-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccccc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435388282 238298840 /nfs/dbraw/zinc/29/88/40/238298840.db2.gz DQBXILRZGUUBJD-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000193870534 201135744 /nfs/dbraw/zinc/13/57/44/201135744.db2.gz QTPIJGVJJDZVTA-QGZVFWFLSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000193870534 201135745 /nfs/dbraw/zinc/13/57/45/201135745.db2.gz QTPIJGVJJDZVTA-QGZVFWFLSA-N 2 2 322.880 3.193 20 0 DGADLP C[N@H+](C[C@@H]1CCC=CO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193883465 201138316 /nfs/dbraw/zinc/13/83/16/201138316.db2.gz YNDBEAZAHPVLNB-IBGZPJMESA-N 2 2 300.446 3.276 20 0 DGADLP C[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193883465 201138319 /nfs/dbraw/zinc/13/83/19/201138319.db2.gz YNDBEAZAHPVLNB-IBGZPJMESA-N 2 2 300.446 3.276 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(Br)cs1 ZINC000193995064 201159672 /nfs/dbraw/zinc/15/96/72/201159672.db2.gz VYSIGVRMXZZVHG-MWLCHTKSSA-N 2 2 303.269 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(Br)cs1 ZINC000193995064 201159674 /nfs/dbraw/zinc/15/96/74/201159674.db2.gz VYSIGVRMXZZVHG-MWLCHTKSSA-N 2 2 303.269 3.255 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000189868351 432098587 /nfs/dbraw/zinc/09/85/87/432098587.db2.gz LVWQEECAPZIHJR-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000189868351 432098591 /nfs/dbraw/zinc/09/85/91/432098591.db2.gz LVWQEECAPZIHJR-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772819 432099291 /nfs/dbraw/zinc/09/92/91/432099291.db2.gz FNNGLRXNRYIZSH-MOPGFXCFSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772819 432099294 /nfs/dbraw/zinc/09/92/94/432099294.db2.gz FNNGLRXNRYIZSH-MOPGFXCFSA-N 2 2 320.477 3.093 20 0 DGADLP CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000194928347 201313452 /nfs/dbraw/zinc/31/34/52/201313452.db2.gz LLBWMEDWEAWINR-SFHVURJKSA-N 2 2 314.433 3.048 20 0 DGADLP CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000194928347 201313453 /nfs/dbraw/zinc/31/34/53/201313453.db2.gz LLBWMEDWEAWINR-SFHVURJKSA-N 2 2 314.433 3.048 20 0 DGADLP Cn1c2c(cccc2F)[nH+]c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000443507507 239206185 /nfs/dbraw/zinc/20/61/85/239206185.db2.gz BBEXKQDOJYNFAI-UHFFFAOYSA-N 2 2 316.424 3.025 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2CNc2cc[nH+]c3ccncc23)cc1 ZINC000444092255 239254963 /nfs/dbraw/zinc/25/49/63/239254963.db2.gz SNCWMOVFWRFIEI-QGZVFWFLSA-N 2 2 318.424 3.128 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2CNc2cc[nH+]c3ccncc23)cc1 ZINC000444092255 239254970 /nfs/dbraw/zinc/25/49/70/239254970.db2.gz SNCWMOVFWRFIEI-QGZVFWFLSA-N 2 2 318.424 3.128 20 0 DGADLP Cc1ccc([C@H](CNc2cc[nH+]c3ccncc23)[NH+](C)C)cc1 ZINC000444119960 239259485 /nfs/dbraw/zinc/25/94/85/239259485.db2.gz SULHFLCICMPQAV-IBGZPJMESA-N 2 2 306.413 3.075 20 0 DGADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000072737788 283759607 /nfs/dbraw/zinc/75/96/07/283759607.db2.gz DWEXTOCSSKQKRO-LBPRGKRZSA-N 2 2 322.250 3.380 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCCO[C@H]21 ZINC000246165199 432102615 /nfs/dbraw/zinc/10/26/15/432102615.db2.gz MEQOHQRJDVKERU-KZNAEPCWSA-N 2 2 311.429 3.166 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275476455 212356761 /nfs/dbraw/zinc/35/67/61/212356761.db2.gz DIEBMSUVNSVDCE-GUYCJALGSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275476455 212356764 /nfs/dbraw/zinc/35/67/64/212356764.db2.gz DIEBMSUVNSVDCE-GUYCJALGSA-N 2 2 319.836 3.307 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc3ccoc32)C[C@H](C)O1 ZINC000449068376 240001239 /nfs/dbraw/zinc/00/12/39/240001239.db2.gz BETRYZQUBMZZDZ-GJZGRUSLSA-N 2 2 302.418 3.022 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCOC1 ZINC000449350923 240148168 /nfs/dbraw/zinc/14/81/68/240148168.db2.gz MBRVQCGULLWFIX-KBPBESRZSA-N 2 2 319.836 3.430 20 0 DGADLP Cc1noc(C)c1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449351936 240149752 /nfs/dbraw/zinc/14/97/52/240149752.db2.gz SDMWKMUQLUUVDE-UHFFFAOYSA-N 2 2 316.792 3.420 20 0 DGADLP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000449378174 240166941 /nfs/dbraw/zinc/16/69/41/240166941.db2.gz CPARFSXZTDXWKU-LJQANCHMSA-N 2 2 320.452 3.246 20 0 DGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000449386055 240167461 /nfs/dbraw/zinc/16/74/61/240167461.db2.gz SAJDZMWOEZEMAE-HTAPYJJXSA-N 2 2 322.518 3.024 20 0 DGADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449405939 240182278 /nfs/dbraw/zinc/18/22/78/240182278.db2.gz PUCPDSWXBRUWKF-IAGOWNOFSA-N 2 2 324.509 3.210 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000449452852 240214859 /nfs/dbraw/zinc/21/48/59/240214859.db2.gz LYTKBBMCAIOYBO-GUDVDZBRSA-N 2 2 302.462 3.338 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000449452852 240214864 /nfs/dbraw/zinc/21/48/64/240214864.db2.gz LYTKBBMCAIOYBO-GUDVDZBRSA-N 2 2 302.462 3.338 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000449471653 240227407 /nfs/dbraw/zinc/22/74/07/240227407.db2.gz CZHICYYUYQMQGW-QGZVFWFLSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000449471653 240227415 /nfs/dbraw/zinc/22/74/15/240227415.db2.gz CZHICYYUYQMQGW-QGZVFWFLSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449542859 240276800 /nfs/dbraw/zinc/27/68/00/240276800.db2.gz RKJKQOQTEBORKP-RTBURBONSA-N 2 2 311.429 3.228 20 0 DGADLP CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629492 240331520 /nfs/dbraw/zinc/33/15/20/240331520.db2.gz FWVKRFIODAKYII-ROUUACIJSA-N 2 2 311.429 3.262 20 0 DGADLP CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629492 240331525 /nfs/dbraw/zinc/33/15/25/240331525.db2.gz FWVKRFIODAKYII-ROUUACIJSA-N 2 2 311.429 3.262 20 0 DGADLP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449638904 240338413 /nfs/dbraw/zinc/33/84/13/240338413.db2.gz MUMQQJRKMHDPEW-ZWKOTPCHSA-N 2 2 324.896 3.444 20 0 DGADLP Cc1ccccc1-c1ccccc1C[NH2+]CC[NH+]1CCC(O)CC1 ZINC000449653104 240345732 /nfs/dbraw/zinc/34/57/32/240345732.db2.gz RPWMZMFRUGTKJY-UHFFFAOYSA-N 2 2 324.468 3.208 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000091467297 193060061 /nfs/dbraw/zinc/06/00/61/193060061.db2.gz BIRLPGHHRVMBGB-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000091467297 193060063 /nfs/dbraw/zinc/06/00/63/193060063.db2.gz BIRLPGHHRVMBGB-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000092047100 193147150 /nfs/dbraw/zinc/14/71/50/193147150.db2.gz DZYPFXXPZRJSES-LJQANCHMSA-N 2 2 324.472 3.241 20 0 DGADLP CCC1([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCCC1 ZINC000451273362 241064903 /nfs/dbraw/zinc/06/49/03/241064903.db2.gz HTNWZIFUBMJEDU-MRXNPFEDSA-N 2 2 315.461 3.326 20 0 DGADLP c1cn(CCC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c[nH+]1 ZINC000451879695 241263773 /nfs/dbraw/zinc/26/37/73/241263773.db2.gz SFYSHEZZHPELQA-QGZVFWFLSA-N 2 2 309.417 3.377 20 0 DGADLP c1cn(CCC[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c[nH+]1 ZINC000451879695 241263775 /nfs/dbraw/zinc/26/37/75/241263775.db2.gz SFYSHEZZHPELQA-QGZVFWFLSA-N 2 2 309.417 3.377 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4[nH+]ccn4c3)c2C1 ZINC000171177012 432110074 /nfs/dbraw/zinc/11/00/74/432110074.db2.gz VABMZWFRDLSAPF-UHFFFAOYSA-N 2 2 320.396 3.312 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4[nH+]ccn4c3)c2C1 ZINC000171177012 432110079 /nfs/dbraw/zinc/11/00/79/432110079.db2.gz VABMZWFRDLSAPF-UHFFFAOYSA-N 2 2 320.396 3.312 20 0 DGADLP O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000452336767 241390861 /nfs/dbraw/zinc/39/08/61/241390861.db2.gz WLUBGLVJOUZJEH-UHFFFAOYSA-N 2 2 324.428 3.068 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cccc(F)c1Br ZINC000135299435 432110314 /nfs/dbraw/zinc/11/03/14/432110314.db2.gz CTCBDCIWSHJLPM-UHFFFAOYSA-N 2 2 317.246 3.410 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000246250445 432111931 /nfs/dbraw/zinc/11/19/31/432111931.db2.gz PFXVOPDZFKGCGB-DOTOQJQBSA-N 2 2 318.461 3.143 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C1 ZINC000246250445 432111934 /nfs/dbraw/zinc/11/19/34/432111934.db2.gz PFXVOPDZFKGCGB-DOTOQJQBSA-N 2 2 318.461 3.143 20 0 DGADLP Cc1ccc2[nH+]c(CNC(=O)Nc3c(C)cc(C)[nH+]c3C)cn2c1 ZINC000455467969 242209069 /nfs/dbraw/zinc/20/90/69/242209069.db2.gz GORUUDDCOKJRMK-UHFFFAOYSA-N 2 2 323.400 3.285 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)[nH+]1 ZINC000455485693 242213236 /nfs/dbraw/zinc/21/32/36/242213236.db2.gz KDVSFGSAWJILCY-INIZCTEOSA-N 2 2 318.465 3.345 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)[nH+]1 ZINC000455485693 242213238 /nfs/dbraw/zinc/21/32/38/242213238.db2.gz KDVSFGSAWJILCY-INIZCTEOSA-N 2 2 318.465 3.345 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCCOC)CC1 ZINC000092165770 193170060 /nfs/dbraw/zinc/17/00/60/193170060.db2.gz DBXWTVIBVWJHLU-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCCOC)CC1 ZINC000092165770 193170061 /nfs/dbraw/zinc/17/00/61/193170061.db2.gz DBXWTVIBVWJHLU-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP Cc1ccc(OC2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1C ZINC000459312882 243330510 /nfs/dbraw/zinc/33/05/10/243330510.db2.gz ZBEUBTDHHTVHCH-UHFFFAOYSA-N 2 2 313.445 3.123 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000459383629 243353618 /nfs/dbraw/zinc/35/36/18/243353618.db2.gz GTHDVRRZXPFINE-UHFFFAOYSA-N 2 2 301.821 3.405 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000459383629 243353623 /nfs/dbraw/zinc/35/36/23/243353623.db2.gz GTHDVRRZXPFINE-UHFFFAOYSA-N 2 2 301.821 3.405 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)[C@H]1Sc1ccccc1 ZINC000459462864 243378171 /nfs/dbraw/zinc/37/81/71/243378171.db2.gz LUIGSBNNOHGTNC-KZNAEPCWSA-N 2 2 320.502 3.010 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000459471048 243383728 /nfs/dbraw/zinc/38/37/28/243383728.db2.gz FPIZODAMOMFCJG-HNNXBMFYSA-N 2 2 322.412 3.414 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459440388 243370456 /nfs/dbraw/zinc/37/04/56/243370456.db2.gz GIDFIIMBEVLYNN-UHFFFAOYSA-N 2 2 324.896 3.362 20 0 DGADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000114708823 284110330 /nfs/dbraw/zinc/11/03/30/284110330.db2.gz RAOXZRQETNOGSL-LBPRGKRZSA-N 2 2 305.809 3.021 20 0 DGADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000261732162 203104921 /nfs/dbraw/zinc/10/49/21/203104921.db2.gz FYOLRUICQCMKSG-AWEZNQCLSA-N 2 2 311.385 3.202 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468511877 244048524 /nfs/dbraw/zinc/04/85/24/244048524.db2.gz VOJBBBZOVWCISN-VBSBHUPXSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468511877 244048528 /nfs/dbraw/zinc/04/85/28/244048528.db2.gz VOJBBBZOVWCISN-VBSBHUPXSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468554228 244051922 /nfs/dbraw/zinc/05/19/22/244051922.db2.gz MTQKWYMJMZOVGO-PIKOESSRSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468554228 244051930 /nfs/dbraw/zinc/05/19/30/244051930.db2.gz MTQKWYMJMZOVGO-PIKOESSRSA-N 2 2 318.505 3.284 20 0 DGADLP COCC[C@H](C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797485 244066022 /nfs/dbraw/zinc/06/60/22/244066022.db2.gz CEFORCCHFPWHSJ-QFBILLFUSA-N 2 2 318.505 3.474 20 0 DGADLP COCC[C@H](C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797485 244066026 /nfs/dbraw/zinc/06/60/26/244066026.db2.gz CEFORCCHFPWHSJ-QFBILLFUSA-N 2 2 318.505 3.474 20 0 DGADLP C[C@H](CCC1CC1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000469804558 244125600 /nfs/dbraw/zinc/12/56/00/244125600.db2.gz PLMHESYQCMYVHD-GOSISDBHSA-N 2 2 315.505 3.367 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852898 244127603 /nfs/dbraw/zinc/12/76/03/244127603.db2.gz IOMYQPUPPADWEN-NWDGAFQWSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000469852898 244127613 /nfs/dbraw/zinc/12/76/13/244127613.db2.gz IOMYQPUPPADWEN-NWDGAFQWSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000119037830 284132758 /nfs/dbraw/zinc/13/27/58/284132758.db2.gz MNUHNRVIACLYKX-SFHVURJKSA-N 2 2 315.505 3.365 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000474363662 244391199 /nfs/dbraw/zinc/39/11/99/244391199.db2.gz WDJINTOOHAAJMC-MRXNPFEDSA-N 2 2 324.896 3.085 20 0 DGADLP CCCC[C@@H](C[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262598873 203345323 /nfs/dbraw/zinc/34/53/23/203345323.db2.gz NAQMHCULXNYFOV-HNNXBMFYSA-N 2 2 313.401 3.121 20 0 DGADLP CCCC[C@H](C[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262598874 203346022 /nfs/dbraw/zinc/34/60/22/203346022.db2.gz NAQMHCULXNYFOV-OAHLLOKOSA-N 2 2 313.401 3.121 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1nc2c(s1)CCCC2)C[NH+]1CCCC1 ZINC000093399376 193244709 /nfs/dbraw/zinc/24/47/09/193244709.db2.gz ZNQUWCFXRNPSPV-KBPBESRZSA-N 2 2 307.507 3.404 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093693355 193290472 /nfs/dbraw/zinc/29/04/72/193290472.db2.gz KNMUJVCHSIZWFJ-HUUCEWRRSA-N 2 2 321.534 3.432 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093693355 193290474 /nfs/dbraw/zinc/29/04/74/193290474.db2.gz KNMUJVCHSIZWFJ-HUUCEWRRSA-N 2 2 321.534 3.432 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093693354 193290729 /nfs/dbraw/zinc/29/07/29/193290729.db2.gz KNMUJVCHSIZWFJ-CABCVRRESA-N 2 2 321.534 3.432 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093693354 193290730 /nfs/dbraw/zinc/29/07/30/193290730.db2.gz KNMUJVCHSIZWFJ-CABCVRRESA-N 2 2 321.534 3.432 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Br)c1 ZINC000093996621 193336917 /nfs/dbraw/zinc/33/69/17/193336917.db2.gz CYTVWMQDNGPSJZ-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Br)c1 ZINC000093996621 193336919 /nfs/dbraw/zinc/33/69/19/193336919.db2.gz CYTVWMQDNGPSJZ-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996638 193336930 /nfs/dbraw/zinc/33/69/30/193336930.db2.gz QBIVRSLNQDPHIT-JQWIXIFHSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996638 193336932 /nfs/dbraw/zinc/33/69/32/193336932.db2.gz QBIVRSLNQDPHIT-JQWIXIFHSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996641 193337003 /nfs/dbraw/zinc/33/70/03/193337003.db2.gz QBIVRSLNQDPHIT-PWSUYJOCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996641 193337005 /nfs/dbraw/zinc/33/70/05/193337005.db2.gz QBIVRSLNQDPHIT-PWSUYJOCSA-N 2 2 315.230 3.147 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865844 193321293 /nfs/dbraw/zinc/32/12/93/193321293.db2.gz XYCNQHGYXSOSIN-SFHVURJKSA-N 2 2 320.396 3.125 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865844 193321294 /nfs/dbraw/zinc/32/12/94/193321294.db2.gz XYCNQHGYXSOSIN-SFHVURJKSA-N 2 2 320.396 3.125 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000121008636 284184927 /nfs/dbraw/zinc/18/49/27/284184927.db2.gz HNHITMCAKAJFAE-MANSERQUSA-N 2 2 314.473 3.227 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000121319664 284194367 /nfs/dbraw/zinc/19/43/67/284194367.db2.gz MADPFSIZLKRHOS-IBGZPJMESA-N 2 2 316.420 3.465 20 0 DGADLP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246355732 432122984 /nfs/dbraw/zinc/12/29/84/432122984.db2.gz WRCAMLCRUMYHNS-QAPCUYQASA-N 2 2 313.445 3.462 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125686846 284281097 /nfs/dbraw/zinc/28/10/97/284281097.db2.gz BJGFMNNTOWXIEQ-IBGZPJMESA-N 2 2 320.440 3.351 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000282469914 217019994 /nfs/dbraw/zinc/01/99/94/217019994.db2.gz PGWJVRLMVLBOAG-JQWIXIFHSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@@H](C)C1 ZINC000282469914 217019997 /nfs/dbraw/zinc/01/99/97/217019997.db2.gz PGWJVRLMVLBOAG-JQWIXIFHSA-N 2 2 317.296 3.331 20 0 DGADLP COCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000126128714 284294714 /nfs/dbraw/zinc/29/47/14/284294714.db2.gz HQTZXWOVPCWWNP-UHFFFAOYSA-N 2 2 315.348 3.041 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000266091388 205088931 /nfs/dbraw/zinc/08/89/31/205088931.db2.gz IDAAVDRSKBLAJR-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000266124192 205117828 /nfs/dbraw/zinc/11/78/28/205117828.db2.gz PURNYZUVFJBITJ-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268744351 432127862 /nfs/dbraw/zinc/12/78/62/432127862.db2.gz REFTYZCQLIMVBX-QUCCMNQESA-N 3 2 315.505 3.115 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744351 432127869 /nfs/dbraw/zinc/12/78/69/432127869.db2.gz REFTYZCQLIMVBX-QUCCMNQESA-N 3 2 315.505 3.115 20 0 DGADLP CC[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[NH+](CC)CC ZINC000266199327 205179180 /nfs/dbraw/zinc/17/91/80/205179180.db2.gz YQUBZNKYIUJQOB-HNNXBMFYSA-N 2 2 300.406 3.136 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000288367667 220111624 /nfs/dbraw/zinc/11/16/24/220111624.db2.gz DSKOLGYBXLIZNB-MRXNPFEDSA-N 2 2 309.413 3.419 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC)c(OC)c1 ZINC000268769602 432131125 /nfs/dbraw/zinc/13/11/25/432131125.db2.gz LCUQHXPJMCRXRM-YESZJQIVSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC)c(OC)c1 ZINC000268769602 432131130 /nfs/dbraw/zinc/13/11/30/432131130.db2.gz LCUQHXPJMCRXRM-YESZJQIVSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)o1 ZINC000019912979 182163734 /nfs/dbraw/zinc/16/37/34/182163734.db2.gz AZRWERODTUVMAK-GFCCVEGCSA-N 2 2 315.255 3.396 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)o1 ZINC000019912979 182163736 /nfs/dbraw/zinc/16/37/36/182163736.db2.gz AZRWERODTUVMAK-GFCCVEGCSA-N 2 2 315.255 3.396 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000288547660 220225191 /nfs/dbraw/zinc/22/51/91/220225191.db2.gz XISQNLCYDNHCJB-VQIMIIECSA-N 2 2 312.461 3.217 20 0 DGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000288547660 220225194 /nfs/dbraw/zinc/22/51/94/220225194.db2.gz XISQNLCYDNHCJB-VQIMIIECSA-N 2 2 312.461 3.217 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000268782918 432133292 /nfs/dbraw/zinc/13/32/92/432133292.db2.gz AADRYUFEXHYQTJ-NEPJUHHUSA-N 2 2 323.824 3.293 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767697 246063037 /nfs/dbraw/zinc/06/30/37/246063037.db2.gz NLRJPZQRFOYSPH-XWTMOSNGSA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767697 246063041 /nfs/dbraw/zinc/06/30/41/246063041.db2.gz NLRJPZQRFOYSPH-XWTMOSNGSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000493769398 246063115 /nfs/dbraw/zinc/06/31/15/246063115.db2.gz RKWNEFHIUXGKHV-GHMZBOCLSA-N 2 2 319.792 3.449 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(OC(F)F)cc1C ZINC000494404253 246143272 /nfs/dbraw/zinc/14/32/72/246143272.db2.gz JVCQDIKXPMKYHG-AWEZNQCLSA-N 2 2 321.371 3.206 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CC2 ZINC000494407807 246144305 /nfs/dbraw/zinc/14/43/05/246144305.db2.gz VGKLDSZSPGAQLQ-CQSZACIVSA-N 2 2 310.426 3.111 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C(F)(F)F ZINC000494410319 246144799 /nfs/dbraw/zinc/14/47/99/246144799.db2.gz JSRHVORTTBXDRC-LLVKDONJSA-N 2 2 313.298 3.146 20 0 DGADLP Clc1ccc2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2c1 ZINC000267466781 206087393 /nfs/dbraw/zinc/08/73/93/206087393.db2.gz WPOGHGRWFLQAPA-GFCCVEGCSA-N 2 2 315.808 3.090 20 0 DGADLP Clc1ccc2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2c1 ZINC000267466781 206087394 /nfs/dbraw/zinc/08/73/94/206087394.db2.gz WPOGHGRWFLQAPA-GFCCVEGCSA-N 2 2 315.808 3.090 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1N(C)C ZINC000268792331 432134571 /nfs/dbraw/zinc/13/45/71/432134571.db2.gz VJFJFQNWFJPBSJ-RRQGHBQHSA-N 2 2 305.441 3.169 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1N(C)C ZINC000268792331 432134574 /nfs/dbraw/zinc/13/45/74/432134574.db2.gz VJFJFQNWFJPBSJ-RRQGHBQHSA-N 2 2 305.441 3.169 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c2ccccc12 ZINC000495105763 246234528 /nfs/dbraw/zinc/23/45/28/246234528.db2.gz CQDOCKOAPBYTTA-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c2ccccc12 ZINC000495105763 246234530 /nfs/dbraw/zinc/23/45/30/246234530.db2.gz CQDOCKOAPBYTTA-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c2ccccc12 ZINC000495105763 246234532 /nfs/dbraw/zinc/23/45/32/246234532.db2.gz CQDOCKOAPBYTTA-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c2ccccc12 ZINC000495105763 246234537 /nfs/dbraw/zinc/23/45/37/246234537.db2.gz CQDOCKOAPBYTTA-HNAYVOBHSA-N 2 2 310.441 3.374 20 0 DGADLP C[C@@H](CC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000494977802 246219494 /nfs/dbraw/zinc/21/94/94/246219494.db2.gz SACCGPPEXCPTQF-RDJZCZTQSA-N 2 2 319.497 3.280 20 0 DGADLP C[C@H](CC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000494977801 246220152 /nfs/dbraw/zinc/22/01/52/246220152.db2.gz SACCGPPEXCPTQF-NVXWUHKLSA-N 2 2 319.497 3.280 20 0 DGADLP Cc1cc(NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)nc[nH+]1 ZINC000495318525 246258002 /nfs/dbraw/zinc/25/80/02/246258002.db2.gz BBVTZMBWCZSSRL-AEFFLSMTSA-N 2 2 312.461 3.384 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246491108 432137111 /nfs/dbraw/zinc/13/71/11/432137111.db2.gz RWLLCGMTNLWUCU-DWRORGKVSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246491108 432137119 /nfs/dbraw/zinc/13/71/19/432137119.db2.gz RWLLCGMTNLWUCU-DWRORGKVSA-N 2 2 301.478 3.460 20 0 DGADLP COCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181591255 432137897 /nfs/dbraw/zinc/13/78/97/432137897.db2.gz FSSNNPCPEHVVOD-HOTGVXAUSA-N 2 2 305.466 3.012 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000040592848 183106638 /nfs/dbraw/zinc/10/66/38/183106638.db2.gz KTKVZZXLNDURRW-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000040592848 183106641 /nfs/dbraw/zinc/10/66/41/183106641.db2.gz KTKVZZXLNDURRW-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000273853624 211114728 /nfs/dbraw/zinc/11/47/28/211114728.db2.gz SSGQELODMXPKKU-FTSJTYPLSA-N 2 2 314.473 3.032 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000273853624 211114734 /nfs/dbraw/zinc/11/47/34/211114734.db2.gz SSGQELODMXPKKU-FTSJTYPLSA-N 2 2 314.473 3.032 20 0 DGADLP Fc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ncccc12 ZINC000109793599 194285201 /nfs/dbraw/zinc/28/52/01/194285201.db2.gz DCYRULXCIFAOBL-UHFFFAOYSA-N 2 2 310.376 3.408 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C3CC3)[nH+]c12 ZINC000273413910 210753010 /nfs/dbraw/zinc/75/30/10/210753010.db2.gz IHRCDEUNXXXSGH-NSHDSACASA-N 2 2 322.250 3.336 20 0 DGADLP CCC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268890586 207060065 /nfs/dbraw/zinc/06/00/65/207060065.db2.gz NYKRPRCBXNSYCT-SFHVURJKSA-N 2 2 324.896 3.445 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)n1-c1ccccc1 ZINC000268968741 207132930 /nfs/dbraw/zinc/13/29/30/207132930.db2.gz LXCWPWCXFJPYEV-MRXNPFEDSA-N 2 2 311.429 3.372 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000268988714 207146348 /nfs/dbraw/zinc/14/63/48/207146348.db2.gz FMTDMCOZVXLAGS-XOKHGSTOSA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000268988714 207146350 /nfs/dbraw/zinc/14/63/50/207146350.db2.gz FMTDMCOZVXLAGS-XOKHGSTOSA-N 2 2 318.461 3.227 20 0 DGADLP c1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000063509887 184284285 /nfs/dbraw/zinc/28/42/85/184284285.db2.gz FYXYPDYOZNTZIV-UHFFFAOYSA-N 2 2 300.446 3.192 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248700288 285018438 /nfs/dbraw/zinc/01/84/38/285018438.db2.gz MNMNSWVUPJJJCD-OCCSQVGLSA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248700288 285018440 /nfs/dbraw/zinc/01/84/40/285018440.db2.gz MNMNSWVUPJJJCD-OCCSQVGLSA-N 2 2 316.898 3.409 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000248871207 285034057 /nfs/dbraw/zinc/03/40/57/285034057.db2.gz VALFWQHUMXGGDB-CJNGLKHVSA-N 2 2 306.475 3.306 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000248871207 285034061 /nfs/dbraw/zinc/03/40/61/285034061.db2.gz VALFWQHUMXGGDB-CJNGLKHVSA-N 2 2 306.475 3.306 20 0 DGADLP Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c2cc(F)ccc2[nH+]1 ZINC000119752160 195030697 /nfs/dbraw/zinc/03/06/97/195030697.db2.gz BMPGVGSWFOXTMN-UHFFFAOYSA-N 2 2 322.387 3.404 20 0 DGADLP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119931130 195064742 /nfs/dbraw/zinc/06/47/42/195064742.db2.gz VUCSDPNKVJDNBT-DYVFJYSZSA-N 2 2 308.853 3.071 20 0 DGADLP C[N@H+](CCOCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120021516 195081404 /nfs/dbraw/zinc/08/14/04/195081404.db2.gz LBGRWECNFIEJEN-UHFFFAOYSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@@H+](CCOCC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120021516 195081406 /nfs/dbraw/zinc/08/14/06/195081406.db2.gz LBGRWECNFIEJEN-UHFFFAOYSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000249213223 285063796 /nfs/dbraw/zinc/06/37/96/285063796.db2.gz YUQSKCUAFNKZQR-HOJAQTOUSA-N 2 2 316.489 3.055 20 0 DGADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000336730330 253000077 /nfs/dbraw/zinc/00/00/77/253000077.db2.gz XXLGBZBIMRAVRI-NSHDSACASA-N 2 2 315.280 3.183 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC000336834010 253004126 /nfs/dbraw/zinc/00/41/26/253004126.db2.gz FAZSKXQEIQBOLW-AWEZNQCLSA-N 2 2 304.463 3.356 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC000336834010 253004128 /nfs/dbraw/zinc/00/41/28/253004128.db2.gz FAZSKXQEIQBOLW-AWEZNQCLSA-N 2 2 304.463 3.356 20 0 DGADLP CC[C@@]1(C)CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871713 253015974 /nfs/dbraw/zinc/01/59/74/253015974.db2.gz NDKHZJWQPOPJKN-APWZRJJASA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@@]1(C)CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871713 253015977 /nfs/dbraw/zinc/01/59/77/253015977.db2.gz NDKHZJWQPOPJKN-APWZRJJASA-N 2 2 315.461 3.136 20 0 DGADLP FC(F)O[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000337311888 253083925 /nfs/dbraw/zinc/08/39/25/253083925.db2.gz VLJHCTBJFJWILD-CHWSQXEVSA-N 2 2 313.373 3.184 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000337411049 253110181 /nfs/dbraw/zinc/11/01/81/253110181.db2.gz WBKBOVDJYUYZIO-LJQANCHMSA-N 2 2 313.489 3.121 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414752 253111433 /nfs/dbraw/zinc/11/14/33/253111433.db2.gz YTGZZUTUSSIONN-NVXWUHKLSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414752 253111436 /nfs/dbraw/zinc/11/14/36/253111436.db2.gz YTGZZUTUSSIONN-NVXWUHKLSA-N 2 2 320.477 3.017 20 0 DGADLP COCC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)(C)C ZINC000338019940 253211906 /nfs/dbraw/zinc/21/19/06/253211906.db2.gz OFBSHHARDZBAKJ-SFHVURJKSA-N 2 2 319.493 3.087 20 0 DGADLP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000338006038 253208814 /nfs/dbraw/zinc/20/88/14/253208814.db2.gz BUOPHAMMGYXIGI-UXHICEINSA-N 2 2 316.489 3.182 20 0 DGADLP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000338006038 253208816 /nfs/dbraw/zinc/20/88/16/253208816.db2.gz BUOPHAMMGYXIGI-UXHICEINSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000338011849 253209994 /nfs/dbraw/zinc/20/99/94/253209994.db2.gz JDVCYXZNMIEORJ-QWHCGFSZSA-N 2 2 305.372 3.087 20 0 DGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000338166762 253235289 /nfs/dbraw/zinc/23/52/89/253235289.db2.gz PMBCWIXPEMSSNA-OAHLLOKOSA-N 2 2 303.356 3.439 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338174361 253237054 /nfs/dbraw/zinc/23/70/54/253237054.db2.gz BBXMNNWNYWRFHR-QAPCUYQASA-N 2 2 312.461 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174361 253237056 /nfs/dbraw/zinc/23/70/56/253237056.db2.gz BBXMNNWNYWRFHR-QAPCUYQASA-N 2 2 312.461 3.108 20 0 DGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc(O)c2n1 ZINC000338274631 253254378 /nfs/dbraw/zinc/25/43/78/253254378.db2.gz KXBCKBRJMCQJKI-OAHLLOKOSA-N 2 2 322.412 3.352 20 0 DGADLP Cc1ccc2c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc(O)c2n1 ZINC000338274631 253254380 /nfs/dbraw/zinc/25/43/80/253254380.db2.gz KXBCKBRJMCQJKI-OAHLLOKOSA-N 2 2 322.412 3.352 20 0 DGADLP c1csc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000253354924 285108691 /nfs/dbraw/zinc/10/86/91/285108691.db2.gz QYFIGCACXNMVHX-OSYLJGHBSA-N 2 2 313.470 3.428 20 0 DGADLP c1csc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000253354924 285108692 /nfs/dbraw/zinc/10/86/92/285108692.db2.gz QYFIGCACXNMVHX-OSYLJGHBSA-N 2 2 313.470 3.428 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)n1-c1ccccc1 ZINC000273015545 210394377 /nfs/dbraw/zinc/39/43/77/210394377.db2.gz CSUAHDIPZHXJJV-NVXWUHKLSA-N 2 2 313.445 3.476 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563341 253310896 /nfs/dbraw/zinc/31/08/96/253310896.db2.gz KQZYRUDGDOQNHC-YSIASYRMSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563341 253310898 /nfs/dbraw/zinc/31/08/98/253310898.db2.gz KQZYRUDGDOQNHC-YSIASYRMSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000338563341 253310899 /nfs/dbraw/zinc/31/08/99/253310899.db2.gz KQZYRUDGDOQNHC-YSIASYRMSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000338563341 253310901 /nfs/dbraw/zinc/31/09/01/253310901.db2.gz KQZYRUDGDOQNHC-YSIASYRMSA-N 2 2 314.473 3.323 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750143 296386764 /nfs/dbraw/zinc/38/67/64/296386764.db2.gz ABUHWOSIZVJHAN-YDZRNGNQSA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750143 296386765 /nfs/dbraw/zinc/38/67/65/296386765.db2.gz ABUHWOSIZVJHAN-YDZRNGNQSA-N 3 2 321.553 3.397 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)cc2[nH+]1 ZINC000342717543 254036676 /nfs/dbraw/zinc/03/66/76/254036676.db2.gz VSGBEZQKHZNTIS-TZMCWYRMSA-N 2 2 314.433 3.232 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c(C3CC3)nc3sccn23)CC1 ZINC000342697166 254034222 /nfs/dbraw/zinc/03/42/22/254034222.db2.gz BBLBMEWWDLINAL-UHFFFAOYSA-N 2 2 318.490 3.189 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C3CC3)nc3sccn23)CC1 ZINC000342697166 254034224 /nfs/dbraw/zinc/03/42/24/254034224.db2.gz BBLBMEWWDLINAL-UHFFFAOYSA-N 2 2 318.490 3.189 20 0 DGADLP Cc1ccc2[nH+]c(CN(C)CC[NH+](C(C)C)C(C)C)cn2c1 ZINC000342795321 254052549 /nfs/dbraw/zinc/05/25/49/254052549.db2.gz AWDWPLIXFBLJFD-UHFFFAOYSA-N 2 2 302.466 3.193 20 0 DGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000342805253 254055119 /nfs/dbraw/zinc/05/51/19/254055119.db2.gz DUEGNSDSYXFKJK-KDOFPFPSSA-N 2 2 322.518 3.419 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000342858310 254067003 /nfs/dbraw/zinc/06/70/03/254067003.db2.gz CWFIWLKUFSXMRY-UHFFFAOYSA-N 2 2 309.417 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000342858310 254067006 /nfs/dbraw/zinc/06/70/06/254067006.db2.gz CWFIWLKUFSXMRY-UHFFFAOYSA-N 2 2 309.417 3.007 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000343549031 254159227 /nfs/dbraw/zinc/15/92/27/254159227.db2.gz KZFNTWLDBQAFDO-YWTNHNAXSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000343549031 254159229 /nfs/dbraw/zinc/15/92/29/254159229.db2.gz KZFNTWLDBQAFDO-YWTNHNAXSA-N 2 2 301.478 3.318 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@@H+](CC)C3CC3)cc2[nH+]1 ZINC000343313017 254126256 /nfs/dbraw/zinc/12/62/56/254126256.db2.gz GKXDQURYLHQNBG-UHFFFAOYSA-N 2 2 314.433 3.328 20 0 DGADLP CC[N@@H+]1CCO[C@@H](CNc2cccc(C)[nH+]2)[C@H]1c1ccccc1 ZINC000343319814 254126719 /nfs/dbraw/zinc/12/67/19/254126719.db2.gz JZYRVQLQZIBBFK-PKOBYXMFSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@@H](CNc2cccc(C)[nH+]2)[C@H]1c1ccccc1 ZINC000343319814 254126721 /nfs/dbraw/zinc/12/67/21/254126721.db2.gz JZYRVQLQZIBBFK-PKOBYXMFSA-N 2 2 311.429 3.264 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000343460231 254147042 /nfs/dbraw/zinc/14/70/42/254147042.db2.gz SPLUQIHXCUKVDJ-BRWVUGGUSA-N 2 2 310.445 3.217 20 0 DGADLP c1oc(-c2ccccc2)nc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343758015 254185034 /nfs/dbraw/zinc/18/50/34/254185034.db2.gz AAXZHVBWIIUWLJ-UHFFFAOYSA-N 2 2 311.429 3.448 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000120327355 195143186 /nfs/dbraw/zinc/14/31/86/195143186.db2.gz MLAWKTYDJKXCBK-UHFFFAOYSA-N 2 2 324.428 3.130 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000120327355 195143187 /nfs/dbraw/zinc/14/31/87/195143187.db2.gz MLAWKTYDJKXCBK-UHFFFAOYSA-N 2 2 324.428 3.130 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045663 254217782 /nfs/dbraw/zinc/21/77/82/254217782.db2.gz GAMQDKLCRXKPOW-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045663 254217783 /nfs/dbraw/zinc/21/77/83/254217783.db2.gz GAMQDKLCRXKPOW-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000344078474 254221957 /nfs/dbraw/zinc/22/19/57/254221957.db2.gz FWTXTQBFERMOAM-IAGOWNOFSA-N 2 2 319.493 3.191 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc2c(ccc3ccccc23)o1 ZINC000344093853 254224060 /nfs/dbraw/zinc/22/40/60/254224060.db2.gz FLIRJPUGOHLKNZ-HIFRSBDPSA-N 2 2 312.413 3.159 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CCC2)cc1 ZINC000344297558 254252699 /nfs/dbraw/zinc/25/26/99/254252699.db2.gz OKDLBWSGBMCMRE-NVXWUHKLSA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CCC2)cc1 ZINC000344297558 254252701 /nfs/dbraw/zinc/25/27/01/254252701.db2.gz OKDLBWSGBMCMRE-NVXWUHKLSA-N 2 2 314.473 3.332 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000344688420 254296024 /nfs/dbraw/zinc/29/60/24/254296024.db2.gz BMIHXVIGVCAZNV-XOYOTBSWSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000344688420 254296025 /nfs/dbraw/zinc/29/60/25/254296025.db2.gz BMIHXVIGVCAZNV-XOYOTBSWSA-N 2 2 302.462 3.225 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)s2)o1 ZINC000344660345 254293935 /nfs/dbraw/zinc/29/39/35/254293935.db2.gz DNIQYTACJQCNPP-AAEUAGOBSA-N 2 2 305.447 3.284 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)o1 ZINC000344660345 254293936 /nfs/dbraw/zinc/29/39/36/254293936.db2.gz DNIQYTACJQCNPP-AAEUAGOBSA-N 2 2 305.447 3.284 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCc3c[nH]c4ncccc34)c2)c[nH+]1 ZINC000344341338 254259470 /nfs/dbraw/zinc/25/94/70/254259470.db2.gz BUQPAGMVDPSANJ-UHFFFAOYSA-N 2 2 323.425 3.142 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@@H+]1C ZINC000344690313 254296854 /nfs/dbraw/zinc/29/68/54/254296854.db2.gz XCYKIDZVWIFQOI-CJNGLKHVSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000344690313 254296855 /nfs/dbraw/zinc/29/68/55/254296855.db2.gz XCYKIDZVWIFQOI-CJNGLKHVSA-N 2 2 318.852 3.098 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000344765442 254303385 /nfs/dbraw/zinc/30/33/85/254303385.db2.gz OUXKNQFLBJBIBP-UWVAXJGDSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000344765442 254303386 /nfs/dbraw/zinc/30/33/86/254303386.db2.gz OUXKNQFLBJBIBP-UWVAXJGDSA-N 2 2 309.457 3.438 20 0 DGADLP COc1cccc2c(N[C@H]3CCn4cc[nH+]c4C3)c(C)c[nH+]c12 ZINC000344987985 254321485 /nfs/dbraw/zinc/32/14/85/254321485.db2.gz VAOWHVUSGVXBKS-ZDUSSCGKSA-N 2 2 308.385 3.175 20 0 DGADLP CCC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC000261820341 285193423 /nfs/dbraw/zinc/19/34/23/285193423.db2.gz WOMMXDWHPUFMAQ-UHFFFAOYSA-N 2 2 317.477 3.213 20 0 DGADLP CCC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC000261820341 285193426 /nfs/dbraw/zinc/19/34/26/285193426.db2.gz WOMMXDWHPUFMAQ-UHFFFAOYSA-N 2 2 317.477 3.213 20 0 DGADLP CC(C)c1[nH+]ccn1Cc1cccc(NCc2c[nH+]cn2C)c1 ZINC000156744091 197137290 /nfs/dbraw/zinc/13/72/90/197137290.db2.gz VGGSGVFFHHFQSD-UHFFFAOYSA-N 2 2 309.417 3.400 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156702651 197134770 /nfs/dbraw/zinc/13/47/70/197134770.db2.gz YAGVQLLGKJDACY-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156702651 197134771 /nfs/dbraw/zinc/13/47/71/197134771.db2.gz YAGVQLLGKJDACY-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000156434337 197113372 /nfs/dbraw/zinc/11/33/72/197113372.db2.gz PQVRIDRQFDXOQS-RRFJBIMHSA-N 2 2 317.437 3.253 20 0 DGADLP CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000156434337 197113373 /nfs/dbraw/zinc/11/33/73/197113373.db2.gz PQVRIDRQFDXOQS-RRFJBIMHSA-N 2 2 317.437 3.253 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C1CC1 ZINC000481048342 285236590 /nfs/dbraw/zinc/23/65/90/285236590.db2.gz LQHBGXYGRIHLNL-UXHICEINSA-N 2 2 316.489 3.474 20 0 DGADLP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCn1cc[nH+]c1 ZINC000294726517 224195792 /nfs/dbraw/zinc/19/57/92/224195792.db2.gz ILRDWUQHCLYOAD-LLVKDONJSA-N 2 2 314.216 3.247 20 0 DGADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CC[NH2+]C3)s2)cc1 ZINC000415103530 533191198 /nfs/dbraw/zinc/19/11/98/533191198.db2.gz KNSSDSAAOZSJNB-BXUZGUMPSA-N 2 2 317.458 3.140 20 0 DGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000294846590 224261243 /nfs/dbraw/zinc/26/12/43/224261243.db2.gz RRKVOFRMYLHWQX-HXUWFJFHSA-N 2 2 321.424 3.220 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507046 285269189 /nfs/dbraw/zinc/26/91/89/285269189.db2.gz CHLRVKQGORVHOJ-NEPXVJNWSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507046 285269191 /nfs/dbraw/zinc/26/91/91/285269191.db2.gz CHLRVKQGORVHOJ-NEPXVJNWSA-N 2 2 324.472 3.389 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000120636181 195206478 /nfs/dbraw/zinc/20/64/78/195206478.db2.gz INEWIHYFWHKACO-YOEHRIQHSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000120636181 195206480 /nfs/dbraw/zinc/20/64/80/195206480.db2.gz INEWIHYFWHKACO-YOEHRIQHSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120636181 195206482 /nfs/dbraw/zinc/20/64/82/195206482.db2.gz INEWIHYFWHKACO-YOEHRIQHSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120636181 195206484 /nfs/dbraw/zinc/20/64/84/195206484.db2.gz INEWIHYFWHKACO-YOEHRIQHSA-N 2 2 304.482 3.113 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000120707213 195220445 /nfs/dbraw/zinc/22/04/45/195220445.db2.gz RASCPBZBBYVSTL-AWEZNQCLSA-N 2 2 300.450 3.098 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000120707682 195220840 /nfs/dbraw/zinc/22/08/40/195220840.db2.gz ZDJJEEBHJZQGGM-CQSZACIVSA-N 2 2 306.450 3.229 20 0 DGADLP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000120728337 195225655 /nfs/dbraw/zinc/22/56/55/195225655.db2.gz SYJJEQXCIMWEKQ-ROUUACIJSA-N 2 2 322.880 3.198 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198808 285282090 /nfs/dbraw/zinc/28/20/90/285282090.db2.gz OCPBEUSVWVQFFZ-QZTJIDSGSA-N 2 2 324.509 3.162 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198808 285282091 /nfs/dbraw/zinc/28/20/91/285282091.db2.gz OCPBEUSVWVQFFZ-QZTJIDSGSA-N 2 2 324.509 3.162 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cncs1 ZINC000271556335 209009539 /nfs/dbraw/zinc/00/95/39/209009539.db2.gz WARRVSWYZYLXEJ-KGLIPLIRSA-N 2 2 316.474 3.414 20 0 DGADLP C[C@H](CO)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000271587862 209034896 /nfs/dbraw/zinc/03/48/96/209034896.db2.gz XTJAWPHPJBSMPD-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP Cc1[nH+]cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1-c1ccccc1 ZINC000289780669 221221270 /nfs/dbraw/zinc/22/12/70/221221270.db2.gz RPLSHYMERSLBRN-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1[nH+]cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1-c1ccccc1 ZINC000289780669 221221272 /nfs/dbraw/zinc/22/12/72/221221272.db2.gz RPLSHYMERSLBRN-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ncc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)n1-c1ccccc1 ZINC000289780669 221221274 /nfs/dbraw/zinc/22/12/74/221221274.db2.gz RPLSHYMERSLBRN-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ncc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)n1-c1ccccc1 ZINC000289780669 221221276 /nfs/dbraw/zinc/22/12/76/221221276.db2.gz RPLSHYMERSLBRN-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1-c1ccccc1 ZINC000289780669 221221279 /nfs/dbraw/zinc/22/12/79/221221279.db2.gz RPLSHYMERSLBRN-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1-c1ccccc1 ZINC000289780669 221221281 /nfs/dbraw/zinc/22/12/81/221221281.db2.gz RPLSHYMERSLBRN-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1cnn(C)c1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000290012502 221379016 /nfs/dbraw/zinc/37/90/16/221379016.db2.gz MAFUGJUYGXEPIM-MRXNPFEDSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1cnn(C)c1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000290012502 221379018 /nfs/dbraw/zinc/37/90/18/221379018.db2.gz MAFUGJUYGXEPIM-MRXNPFEDSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000120948297 195269723 /nfs/dbraw/zinc/26/97/23/195269723.db2.gz SHHLMDGYPDUORG-HNNXBMFYSA-N 2 2 312.417 3.032 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000120948297 195269725 /nfs/dbraw/zinc/26/97/25/195269725.db2.gz SHHLMDGYPDUORG-HNNXBMFYSA-N 2 2 312.417 3.032 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121945818 195379963 /nfs/dbraw/zinc/37/99/63/195379963.db2.gz JCIPXERKROMPLW-JZXOWHBKSA-N 2 2 304.478 3.443 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121945818 195379965 /nfs/dbraw/zinc/37/99/65/195379965.db2.gz JCIPXERKROMPLW-JZXOWHBKSA-N 2 2 304.478 3.443 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000121620496 195318156 /nfs/dbraw/zinc/31/81/56/195318156.db2.gz FRTFYSPHTDVBNT-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000121620496 195318157 /nfs/dbraw/zinc/31/81/57/195318157.db2.gz FRTFYSPHTDVBNT-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP COc1cccc(-c2nc(C[N@H+](C)C3CC[NH2+]CC3)cs2)c1 ZINC000430624972 533373934 /nfs/dbraw/zinc/37/39/34/533373934.db2.gz JUHPQYDMOMOTBL-UHFFFAOYSA-N 2 2 317.458 3.003 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+](C)C3CC[NH2+]CC3)cs2)c1 ZINC000430624972 533373937 /nfs/dbraw/zinc/37/39/37/533373937.db2.gz JUHPQYDMOMOTBL-UHFFFAOYSA-N 2 2 317.458 3.003 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]1 ZINC000422826134 533443159 /nfs/dbraw/zinc/44/31/59/533443159.db2.gz KYUBIYNIMNGORI-CRAIPNDOSA-N 2 2 320.440 3.256 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nc(C(F)(F)F)cs1 ZINC000427877225 533527478 /nfs/dbraw/zinc/52/74/78/533527478.db2.gz ODXUMIIOUAAFFG-RKDXNWHRSA-N 2 2 316.352 3.024 20 0 DGADLP Cc1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c(C)[nH+]1 ZINC000356629468 285418221 /nfs/dbraw/zinc/41/82/21/285418221.db2.gz MLJCDOIENQNMAD-UHFFFAOYSA-N 2 2 306.454 3.281 20 0 DGADLP CSC1(C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000434989664 533512094 /nfs/dbraw/zinc/51/20/94/533512094.db2.gz BSWLLILBEJIPBG-WBVHZDCISA-N 2 2 304.503 3.382 20 0 DGADLP CSC1(C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000434989664 533512099 /nfs/dbraw/zinc/51/20/99/533512099.db2.gz BSWLLILBEJIPBG-WBVHZDCISA-N 2 2 304.503 3.382 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1C ZINC000415124765 533571099 /nfs/dbraw/zinc/57/10/99/533571099.db2.gz NHDMHIHKMDKVAD-ZWKOTPCHSA-N 2 2 314.404 3.069 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1C ZINC000415124765 533571105 /nfs/dbraw/zinc/57/11/05/533571105.db2.gz NHDMHIHKMDKVAD-ZWKOTPCHSA-N 2 2 314.404 3.069 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cc(F)ncc1F)[N@H+](C)Cc1ccccc1 ZINC000295655336 533608753 /nfs/dbraw/zinc/60/87/53/533608753.db2.gz IZRNQPLDYQRCQP-AWEZNQCLSA-N 2 2 319.399 3.360 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cc(F)ncc1F)[N@@H+](C)Cc1ccccc1 ZINC000295655336 533608761 /nfs/dbraw/zinc/60/87/61/533608761.db2.gz IZRNQPLDYQRCQP-AWEZNQCLSA-N 2 2 319.399 3.360 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000163830205 132125023 /nfs/dbraw/zinc/12/50/23/132125023.db2.gz WEBFQXZOLWCQKN-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000163830205 132125025 /nfs/dbraw/zinc/12/50/25/132125025.db2.gz WEBFQXZOLWCQKN-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cccc2[nH+]cc(CN(C)CC[NH+](C(C)C)C(C)C)n21 ZINC000357004315 285600217 /nfs/dbraw/zinc/60/02/17/285600217.db2.gz XBBBOBQTTUMQDF-UHFFFAOYSA-N 2 2 302.466 3.193 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000340203876 292076743 /nfs/dbraw/zinc/07/67/43/292076743.db2.gz GLCXUJFHLMDAKJ-OAHLLOKOSA-N 2 2 304.478 3.226 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000340203876 292076744 /nfs/dbraw/zinc/07/67/44/292076744.db2.gz GLCXUJFHLMDAKJ-OAHLLOKOSA-N 2 2 304.478 3.226 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572567 400094301 /nfs/dbraw/zinc/09/43/01/400094301.db2.gz IZHSOOOAFJTTIB-ZFWWWQNUSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572567 400094308 /nfs/dbraw/zinc/09/43/08/400094308.db2.gz IZHSOOOAFJTTIB-ZFWWWQNUSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572567 400094316 /nfs/dbraw/zinc/09/43/16/400094316.db2.gz IZHSOOOAFJTTIB-ZFWWWQNUSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292572567 400094320 /nfs/dbraw/zinc/09/43/20/400094320.db2.gz IZHSOOOAFJTTIB-ZFWWWQNUSA-N 2 2 322.449 3.099 20 0 DGADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000584789003 400104449 /nfs/dbraw/zinc/10/44/49/400104449.db2.gz TUFLJCOVBJNWBF-KRWDZBQOSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000584789003 400104451 /nfs/dbraw/zinc/10/44/51/400104451.db2.gz TUFLJCOVBJNWBF-KRWDZBQOSA-N 2 2 313.445 3.295 20 0 DGADLP CCSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595099669 400105223 /nfs/dbraw/zinc/10/52/23/400105223.db2.gz NNKHQBMFZPTWKV-RDJZCZTQSA-N 2 2 319.518 3.167 20 0 DGADLP CCSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595099669 400105230 /nfs/dbraw/zinc/10/52/30/400105230.db2.gz NNKHQBMFZPTWKV-RDJZCZTQSA-N 2 2 319.518 3.167 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000091268638 400110461 /nfs/dbraw/zinc/11/04/61/400110461.db2.gz QLWKRCRAVDIYSI-CQSZACIVSA-N 2 2 312.461 3.334 20 0 DGADLP CCc1nnc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000600625287 400111340 /nfs/dbraw/zinc/11/13/40/400111340.db2.gz QKDWCYDGDSJRSS-OAHLLOKOSA-N 2 2 320.481 3.281 20 0 DGADLP COCCc1nc(C)c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000090847577 400080205 /nfs/dbraw/zinc/08/02/05/400080205.db2.gz ZLELJMPXAXOWHD-ZDUSSCGKSA-N 2 2 319.474 3.237 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091960983 400142889 /nfs/dbraw/zinc/14/28/89/400142889.db2.gz YOHSXODRVMVZRN-WFASDCNBSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000091960983 400142892 /nfs/dbraw/zinc/14/28/92/400142892.db2.gz YOHSXODRVMVZRN-WFASDCNBSA-N 2 2 302.447 3.300 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000315905573 400147851 /nfs/dbraw/zinc/14/78/51/400147851.db2.gz DNPYLVZUGAHFIY-HNNXBMFYSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000315905573 400147853 /nfs/dbraw/zinc/14/78/53/400147853.db2.gz DNPYLVZUGAHFIY-HNNXBMFYSA-N 2 2 303.381 3.184 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071374 400151772 /nfs/dbraw/zinc/15/17/72/400151772.db2.gz VTXCCSDXRFJESQ-MRXNPFEDSA-N 2 2 321.428 3.488 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071374 400151774 /nfs/dbraw/zinc/15/17/74/400151774.db2.gz VTXCCSDXRFJESQ-MRXNPFEDSA-N 2 2 321.428 3.488 20 0 DGADLP Cc1cnccc1CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000397536424 400285872 /nfs/dbraw/zinc/28/58/72/400285872.db2.gz IJIBTYDHKQTJNF-UHFFFAOYSA-N 2 2 311.473 3.433 20 0 DGADLP Cc1cnccc1CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000397536424 400285876 /nfs/dbraw/zinc/28/58/76/400285876.db2.gz IJIBTYDHKQTJNF-UHFFFAOYSA-N 2 2 311.473 3.433 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865748 400258454 /nfs/dbraw/zinc/25/84/54/400258454.db2.gz VNHIWBHADIHDFZ-CYBMUJFWSA-N 2 2 323.318 3.149 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865748 400258459 /nfs/dbraw/zinc/25/84/59/400258459.db2.gz VNHIWBHADIHDFZ-CYBMUJFWSA-N 2 2 323.318 3.149 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000030655453 400331567 /nfs/dbraw/zinc/33/15/67/400331567.db2.gz YGKNENLJWMNAOI-CZUORRHYSA-N 2 2 308.385 3.274 20 0 DGADLP C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000074483281 400515669 /nfs/dbraw/zinc/51/56/69/400515669.db2.gz LMFMGJLBOAKPRY-OAHLLOKOSA-N 2 2 312.417 3.075 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129017595 400520629 /nfs/dbraw/zinc/52/06/29/400520629.db2.gz AARMQDCQEZKXSL-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129017595 400520631 /nfs/dbraw/zinc/52/06/31/400520631.db2.gz AARMQDCQEZKXSL-BXUZGUMPSA-N 2 2 305.809 3.307 20 0 DGADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129114318 400522481 /nfs/dbraw/zinc/52/24/81/400522481.db2.gz BQTPGOZOPSEZCB-GOSISDBHSA-N 2 2 316.489 3.138 20 0 DGADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129114318 400522485 /nfs/dbraw/zinc/52/24/85/400522485.db2.gz BQTPGOZOPSEZCB-GOSISDBHSA-N 2 2 316.489 3.138 20 0 DGADLP CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474897 400531981 /nfs/dbraw/zinc/53/19/81/400531981.db2.gz JQVRZIUMOZQXFJ-ZWOKBUDYSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474897 400531984 /nfs/dbraw/zinc/53/19/84/400531984.db2.gz JQVRZIUMOZQXFJ-ZWOKBUDYSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000591474897 400531988 /nfs/dbraw/zinc/53/19/88/400531988.db2.gz JQVRZIUMOZQXFJ-ZWOKBUDYSA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000591474897 400531991 /nfs/dbraw/zinc/53/19/91/400531991.db2.gz JQVRZIUMOZQXFJ-ZWOKBUDYSA-N 2 2 318.505 3.378 20 0 DGADLP CSC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000591577279 400541177 /nfs/dbraw/zinc/54/11/77/400541177.db2.gz LSNIBXVJASNSHO-AWEZNQCLSA-N 2 2 318.408 3.451 20 0 DGADLP c1csc(-c2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)no2)c1 ZINC000591867665 400568338 /nfs/dbraw/zinc/56/83/38/400568338.db2.gz QRGMXVRAPSWSOU-CQSZACIVSA-N 2 2 314.414 3.437 20 0 DGADLP c1csc(-c2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)no2)c1 ZINC000591867665 400568342 /nfs/dbraw/zinc/56/83/42/400568342.db2.gz QRGMXVRAPSWSOU-CQSZACIVSA-N 2 2 314.414 3.437 20 0 DGADLP CC[N@@H+](Cc1ncc(C)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154567 400639339 /nfs/dbraw/zinc/63/93/39/400639339.db2.gz VDTBYHKZCWARDY-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[N@H+](Cc1ncc(C)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154567 400639341 /nfs/dbraw/zinc/63/93/41/400639341.db2.gz VDTBYHKZCWARDY-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ncc(C)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154567 400639344 /nfs/dbraw/zinc/63/93/44/400639344.db2.gz VDTBYHKZCWARDY-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ncc(C)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154567 400639347 /nfs/dbraw/zinc/63/93/47/400639347.db2.gz VDTBYHKZCWARDY-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[NH+]3CCCCCC3)ccc2n1C ZINC000075410386 400584531 /nfs/dbraw/zinc/58/45/31/400584531.db2.gz SAOHMAVPSOCPPI-ZDUSSCGKSA-N 2 2 314.433 3.085 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)n1C ZINC000597198568 400585591 /nfs/dbraw/zinc/58/55/91/400585591.db2.gz OGGZPCBPOFTXGU-UHFFFAOYSA-N 2 2 321.465 3.062 20 0 DGADLP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000597238391 400596227 /nfs/dbraw/zinc/59/62/27/400596227.db2.gz IGDOCKBEDYUNGX-AEFFLSMTSA-N 2 2 304.434 3.034 20 0 DGADLP CC1CC[NH+](CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000161754790 400741597 /nfs/dbraw/zinc/74/15/97/400741597.db2.gz AQFRLLKJKAAGOD-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C)c2cc1C ZINC000051317809 400700123 /nfs/dbraw/zinc/70/01/23/400700123.db2.gz ZCQSMTITEMJGHD-JKSUJKDBSA-N 2 2 317.477 3.380 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C)c2cc1C ZINC000051317809 400700125 /nfs/dbraw/zinc/70/01/25/400700125.db2.gz ZCQSMTITEMJGHD-JKSUJKDBSA-N 2 2 317.477 3.380 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614274736 400868037 /nfs/dbraw/zinc/86/80/37/400868037.db2.gz BKKDKTUXTBXWTD-UHFFFAOYSA-N 2 2 302.422 3.175 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065859 400946853 /nfs/dbraw/zinc/94/68/53/400946853.db2.gz SEKOSOROPWMOGE-GDBMZVCRSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599065859 400946858 /nfs/dbraw/zinc/94/68/58/400946858.db2.gz SEKOSOROPWMOGE-GDBMZVCRSA-N 2 2 310.482 3.103 20 0 DGADLP CCC[NH+]1CCC([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000236776749 400982013 /nfs/dbraw/zinc/98/20/13/400982013.db2.gz ALZSISOGDGXZEU-UHFFFAOYSA-N 2 2 317.477 3.014 20 0 DGADLP O[C@@H](CNc1ccc([NH2+]CC2CCCC2)cc1)C[NH+]1CCCC1 ZINC000629581659 400981911 /nfs/dbraw/zinc/98/19/11/400981911.db2.gz FKYKOUXDBKUQBY-IBGZPJMESA-N 2 2 317.477 3.157 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)[nH]1 ZINC000080961075 401007332 /nfs/dbraw/zinc/00/73/32/401007332.db2.gz OXGLMHYLAKRBDT-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)no3)C2)[nH]1 ZINC000080961075 401007337 /nfs/dbraw/zinc/00/73/37/401007337.db2.gz OXGLMHYLAKRBDT-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C[NH2+]1 ZINC000629542274 400967923 /nfs/dbraw/zinc/96/79/23/400967923.db2.gz CTCMAQHZCCCUCE-DGFSRKRXSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000629553434 400972682 /nfs/dbraw/zinc/97/26/82/400972682.db2.gz OIXCJMJGLQCONG-JFGNBEQYSA-N 2 2 303.233 3.101 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000629553433 400973141 /nfs/dbraw/zinc/97/31/41/400973141.db2.gz OIXCJMJGLQCONG-CKYFFXLPSA-N 2 2 303.233 3.101 20 0 DGADLP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560250 400975503 /nfs/dbraw/zinc/97/55/03/400975503.db2.gz DWENHMHJEPVHCP-NTZNESFSSA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560250 400975508 /nfs/dbraw/zinc/97/55/08/400975508.db2.gz DWENHMHJEPVHCP-NTZNESFSSA-N 2 2 304.331 3.346 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C(F)(F)F ZINC000629561589 400977387 /nfs/dbraw/zinc/97/73/87/400977387.db2.gz IPSNORDCWKWCDC-GJZGRUSLSA-N 2 2 323.362 3.194 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C(F)(F)F ZINC000629561589 400977390 /nfs/dbraw/zinc/97/73/90/400977390.db2.gz IPSNORDCWKWCDC-GJZGRUSLSA-N 2 2 323.362 3.194 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562687 400978104 /nfs/dbraw/zinc/97/81/04/400978104.db2.gz CHVHOORRSCPAAW-YPMHNXCESA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629562687 400978109 /nfs/dbraw/zinc/97/81/09/400978109.db2.gz CHVHOORRSCPAAW-YPMHNXCESA-N 2 2 306.759 3.299 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563506 400978387 /nfs/dbraw/zinc/97/83/87/400978387.db2.gz RDQYXQWEUXJZKG-BREBYQMCSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563506 400978394 /nfs/dbraw/zinc/97/83/94/400978394.db2.gz RDQYXQWEUXJZKG-BREBYQMCSA-N 2 2 322.321 3.485 20 0 DGADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000236703549 400980206 /nfs/dbraw/zinc/98/02/06/400980206.db2.gz HGPICFPOTKWRSH-YLJYHZDGSA-N 2 2 318.505 3.210 20 0 DGADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000236703549 400980216 /nfs/dbraw/zinc/98/02/16/400980216.db2.gz HGPICFPOTKWRSH-YLJYHZDGSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564846 400980337 /nfs/dbraw/zinc/98/03/37/400980337.db2.gz UYMDBKACKBOQIK-OUAUKWLOSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564846 400980344 /nfs/dbraw/zinc/98/03/44/400980344.db2.gz UYMDBKACKBOQIK-OUAUKWLOSA-N 2 2 322.321 3.485 20 0 DGADLP Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000629709467 401053378 /nfs/dbraw/zinc/05/33/78/401053378.db2.gz YMNPEZGBANHSSC-HNNXBMFYSA-N 2 2 321.424 3.162 20 0 DGADLP CO[C@H](c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1)[C@@H](C)[NH3+] ZINC000629710635 401053875 /nfs/dbraw/zinc/05/38/75/401053875.db2.gz VKXFMWZIWVOPKD-KUHUBIRLSA-N 2 2 311.429 3.384 20 0 DGADLP Clc1cncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268941 401146686 /nfs/dbraw/zinc/14/66/86/401146686.db2.gz DHIRIOZZDKQRAG-RHSMWYFYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000621268941 401146689 /nfs/dbraw/zinc/14/66/89/401146689.db2.gz DHIRIOZZDKQRAG-RHSMWYFYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000621268941 401146694 /nfs/dbraw/zinc/14/66/94/401146694.db2.gz DHIRIOZZDKQRAG-RHSMWYFYSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621268941 401146697 /nfs/dbraw/zinc/14/66/97/401146697.db2.gz DHIRIOZZDKQRAG-RHSMWYFYSA-N 2 2 305.853 3.184 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000358224832 286003312 /nfs/dbraw/zinc/00/33/12/286003312.db2.gz LCEFWSHFFGNSKY-FQEVSTJZSA-N 2 2 318.424 3.296 20 0 DGADLP C[N@H+](CCNc1cc[nH+]c2ccncc12)Cc1ccc(F)cc1 ZINC000085689404 401173052 /nfs/dbraw/zinc/17/30/52/401173052.db2.gz LMXWNDWFYSZRHL-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP C[N@@H+](CCNc1cc[nH+]c2ccncc12)Cc1ccc(F)cc1 ZINC000085689404 401173056 /nfs/dbraw/zinc/17/30/56/401173056.db2.gz LMXWNDWFYSZRHL-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000594957889 401207093 /nfs/dbraw/zinc/20/70/93/401207093.db2.gz WJQCXBZGFKXZMX-GPANFISMSA-N 2 2 324.509 3.349 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000594957889 401207099 /nfs/dbraw/zinc/20/70/99/401207099.db2.gz WJQCXBZGFKXZMX-GPANFISMSA-N 2 2 324.509 3.349 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000358341943 286036748 /nfs/dbraw/zinc/03/67/48/286036748.db2.gz DQBUFYLOFOMBBJ-QFBILLFUSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090588517 401269281 /nfs/dbraw/zinc/26/92/81/401269281.db2.gz UWKLQHUJCXXTTH-ZBFHGGJFSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000090047547 401251283 /nfs/dbraw/zinc/25/12/83/401251283.db2.gz GAAGPIZIVWDRTJ-QWHCGFSZSA-N 2 2 314.832 3.241 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090085756 401255053 /nfs/dbraw/zinc/25/50/53/401255053.db2.gz CNGGTXLCXZPHNF-CABCVRRESA-N 2 2 301.434 3.320 20 0 DGADLP Cn1c(CCC[NH2+][C@@H]2CCOC(C)(C)C2)[nH+]c2ccccc21 ZINC000634681217 401332935 /nfs/dbraw/zinc/33/29/35/401332935.db2.gz KQJMTVPKOJNDPN-CQSZACIVSA-N 2 2 301.434 3.053 20 0 DGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000622044010 401338588 /nfs/dbraw/zinc/33/85/88/401338588.db2.gz RRCAWZAFZVDSHJ-QFBILLFUSA-N 2 2 314.404 3.417 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000634733695 401341115 /nfs/dbraw/zinc/34/11/15/401341115.db2.gz LJHIMZHXURBCLW-SECBINFHSA-N 2 2 307.385 3.030 20 0 DGADLP CC[N@H+](Cc1nc(C(F)F)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063993 401292741 /nfs/dbraw/zinc/29/27/41/401292741.db2.gz YGHJNEOQNACDAG-UHFFFAOYSA-N 2 2 324.375 3.091 20 0 DGADLP CC[N@@H+](Cc1nc(C(F)F)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063993 401292743 /nfs/dbraw/zinc/29/27/43/401292743.db2.gz YGHJNEOQNACDAG-UHFFFAOYSA-N 2 2 324.375 3.091 20 0 DGADLP O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635138373 401414975 /nfs/dbraw/zinc/41/49/75/401414975.db2.gz XAIYPPIOBWWKOD-QGZVFWFLSA-N 2 2 310.401 3.032 20 0 DGADLP O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635138373 401414977 /nfs/dbraw/zinc/41/49/77/401414977.db2.gz XAIYPPIOBWWKOD-QGZVFWFLSA-N 2 2 310.401 3.032 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc2nccnc2c1)[N@H+](C)Cc1ccccc1 ZINC000634961411 401389552 /nfs/dbraw/zinc/38/95/52/401389552.db2.gz UMFFLMNGPMDTMI-INIZCTEOSA-N 2 2 320.440 3.240 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc2nccnc2c1)[N@@H+](C)Cc1ccccc1 ZINC000634961411 401389557 /nfs/dbraw/zinc/38/95/57/401389557.db2.gz UMFFLMNGPMDTMI-INIZCTEOSA-N 2 2 320.440 3.240 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000635013727 401404295 /nfs/dbraw/zinc/40/42/95/401404295.db2.gz VMMXUHSDRLHJPR-FSBGKCOPSA-N 2 2 309.369 3.329 20 0 DGADLP Cc1cn2cc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)ccc2[nH+]1 ZINC000635468606 401445955 /nfs/dbraw/zinc/44/59/55/401445955.db2.gz CADGMINXVPFXAM-OAHLLOKOSA-N 2 2 311.389 3.065 20 0 DGADLP Cc1cn2ccc(C(=O)Nc3ccc(C)cc3C[NH+](C)C)cc2[nH+]1 ZINC000635565940 401455414 /nfs/dbraw/zinc/45/54/14/401455414.db2.gz HHHFEVGBWSMOSM-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000623088973 401463169 /nfs/dbraw/zinc/46/31/69/401463169.db2.gz OMLCBPFMWJKJFE-UHFFFAOYSA-N 2 2 307.388 3.235 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2sccc2Cl)CC1 ZINC000623089584 401463641 /nfs/dbraw/zinc/46/36/41/401463641.db2.gz NVVMMTHLDVYRKG-UHFFFAOYSA-N 2 2 308.825 3.468 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000623360962 401500709 /nfs/dbraw/zinc/50/07/09/401500709.db2.gz HSIIYLDULWBNSX-WDEREUQCSA-N 2 2 300.780 3.335 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000623360962 401500712 /nfs/dbraw/zinc/50/07/12/401500712.db2.gz HSIIYLDULWBNSX-WDEREUQCSA-N 2 2 300.780 3.335 20 0 DGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000631620534 401516190 /nfs/dbraw/zinc/51/61/90/401516190.db2.gz GGRPBTWMEHSLIE-ZBFHGGJFSA-N 2 2 308.429 3.290 20 0 DGADLP Cc1c[nH]c(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)[nH+]1 ZINC000628121268 401528054 /nfs/dbraw/zinc/52/80/54/401528054.db2.gz YRMMNTJYEFISAK-UHFFFAOYSA-N 2 2 312.461 3.159 20 0 DGADLP Cc1c[nH]c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190446 401546959 /nfs/dbraw/zinc/54/69/59/401546959.db2.gz GJPCEVRJGBGALX-RBUKOAKNSA-N 2 2 324.472 3.205 20 0 DGADLP Cc1c[nH]c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000628190446 401546961 /nfs/dbraw/zinc/54/69/61/401546961.db2.gz GJPCEVRJGBGALX-RBUKOAKNSA-N 2 2 324.472 3.205 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000628228971 401554570 /nfs/dbraw/zinc/55/45/70/401554570.db2.gz FYEXFNGFMQYABI-WFASDCNBSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000628228971 401554572 /nfs/dbraw/zinc/55/45/72/401554572.db2.gz FYEXFNGFMQYABI-WFASDCNBSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000628228970 401554650 /nfs/dbraw/zinc/55/46/50/401554650.db2.gz FYEXFNGFMQYABI-SWLSCSKDSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000628228970 401554654 /nfs/dbraw/zinc/55/46/54/401554654.db2.gz FYEXFNGFMQYABI-SWLSCSKDSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628233793 401555909 /nfs/dbraw/zinc/55/59/09/401555909.db2.gz VGEGSRASAWSTJW-ZDUSSCGKSA-N 2 2 300.368 3.179 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628233793 401555911 /nfs/dbraw/zinc/55/59/11/401555911.db2.gz VGEGSRASAWSTJW-ZDUSSCGKSA-N 2 2 300.368 3.179 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234641 401556710 /nfs/dbraw/zinc/55/67/10/401556710.db2.gz HULSQUDMQKSSGT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234641 401556711 /nfs/dbraw/zinc/55/67/11/401556711.db2.gz HULSQUDMQKSSGT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234641 401556712 /nfs/dbraw/zinc/55/67/12/401556712.db2.gz HULSQUDMQKSSGT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCc3cccc(C(F)(F)F)c3)[C@@H]2C1 ZINC000628234641 401556713 /nfs/dbraw/zinc/55/67/13/401556713.db2.gz HULSQUDMQKSSGT-GOEBONIOSA-N 2 2 312.379 3.274 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000628237060 401557227 /nfs/dbraw/zinc/55/72/27/401557227.db2.gz ZRYCBOYEUKHLFG-UKRRQHHQSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000628237060 401557228 /nfs/dbraw/zinc/55/72/28/401557228.db2.gz ZRYCBOYEUKHLFG-UKRRQHHQSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858750 401561445 /nfs/dbraw/zinc/56/14/45/401561445.db2.gz CZHQTNXKOKERRA-NVXWUHKLSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000631858750 401561447 /nfs/dbraw/zinc/56/14/47/401561447.db2.gz CZHQTNXKOKERRA-NVXWUHKLSA-N 2 2 323.440 3.104 20 0 DGADLP Cc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c3c(C)cccn23)nc1 ZINC000623648695 401561891 /nfs/dbraw/zinc/56/18/91/401561891.db2.gz VNQSDFTVYAPFQL-UHFFFAOYSA-N 2 2 308.429 3.414 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624231241 401641706 /nfs/dbraw/zinc/64/17/06/401641706.db2.gz UDQGATIWKGCDLN-BPQIPLTHSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624231241 401641709 /nfs/dbraw/zinc/64/17/09/401641709.db2.gz UDQGATIWKGCDLN-BPQIPLTHSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624335447 401652542 /nfs/dbraw/zinc/65/25/42/401652542.db2.gz RQCJTPJRJQXKQO-JXFKEZNVSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624335447 401652546 /nfs/dbraw/zinc/65/25/46/401652546.db2.gz RQCJTPJRJQXKQO-JXFKEZNVSA-N 2 2 310.441 3.071 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CCCCOC)c2ccccc2)[C@@H](C)C1 ZINC000359030182 286219372 /nfs/dbraw/zinc/21/93/72/286219372.db2.gz OWSKWBVPSAYVCG-WDSOQIARSA-N 2 2 304.478 3.474 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CCCCOC)c2ccccc2)[C@@H](C)C1 ZINC000359030182 286219373 /nfs/dbraw/zinc/21/93/73/286219373.db2.gz OWSKWBVPSAYVCG-WDSOQIARSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1cc(NCc2cn3ccccc3[nH+]2)c2cc(F)ccc2[nH+]1 ZINC000359092752 286235268 /nfs/dbraw/zinc/23/52/68/286235268.db2.gz JEELKZBYVSJKPB-UHFFFAOYSA-N 2 2 306.344 3.364 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359738410 286371481 /nfs/dbraw/zinc/37/14/81/286371481.db2.gz XZDKUIMPVSDSGW-NVXWUHKLSA-N 2 2 321.513 3.023 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359738411 286371585 /nfs/dbraw/zinc/37/15/85/286371585.db2.gz XZDKUIMPVSDSGW-RDJZCZTQSA-N 2 2 321.513 3.023 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)CC2 ZINC000162592173 286404902 /nfs/dbraw/zinc/40/49/02/286404902.db2.gz VWOCEUUZOPWXEI-CRAIPNDOSA-N 2 2 302.462 3.017 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC000361347804 286658395 /nfs/dbraw/zinc/65/83/95/286658395.db2.gz ZDIHTZUOJWKICO-CQSZACIVSA-N 2 2 301.434 3.143 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361967986 286752329 /nfs/dbraw/zinc/75/23/29/286752329.db2.gz XXKWJOVSRMDTSU-FUHWJXTLSA-N 2 2 320.502 3.236 20 0 DGADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)[nH+]1 ZINC000364233511 287001297 /nfs/dbraw/zinc/00/12/97/287001297.db2.gz HLVLUKDMGZZEAP-MRXNPFEDSA-N 2 2 303.450 3.471 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000153156978 287035113 /nfs/dbraw/zinc/03/51/13/287035113.db2.gz XGRNCFSLQCBPFB-NWDGAFQWSA-N 2 2 302.871 3.020 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422896953 287040739 /nfs/dbraw/zinc/04/07/39/287040739.db2.gz YYIFTHITDTWSEE-SJLPKXTDSA-N 2 2 316.493 3.082 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000364757488 287058774 /nfs/dbraw/zinc/05/87/74/287058774.db2.gz HIRYPTUQBSIGNU-LLVKDONJSA-N 2 2 324.222 3.155 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000364757488 287058775 /nfs/dbraw/zinc/05/87/75/287058775.db2.gz HIRYPTUQBSIGNU-LLVKDONJSA-N 2 2 324.222 3.155 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000364845996 287066922 /nfs/dbraw/zinc/06/69/22/287066922.db2.gz ZFRURGQTSBWJAV-IRXDYDNUSA-N 2 2 304.503 3.382 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000364845996 287066926 /nfs/dbraw/zinc/06/69/26/287066926.db2.gz ZFRURGQTSBWJAV-IRXDYDNUSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340235740 287069464 /nfs/dbraw/zinc/06/94/64/287069464.db2.gz LVTMQLHMRMSMKG-FPAYPSAMSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340235740 287069467 /nfs/dbraw/zinc/06/94/67/287069467.db2.gz LVTMQLHMRMSMKG-FPAYPSAMSA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)c1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC000365020635 287088120 /nfs/dbraw/zinc/08/81/20/287088120.db2.gz RAHCZTZRYGTTSI-GOEBONIOSA-N 2 2 302.466 3.254 20 0 DGADLP CC(C)c1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC000365020635 287088122 /nfs/dbraw/zinc/08/81/22/287088122.db2.gz RAHCZTZRYGTTSI-GOEBONIOSA-N 2 2 302.466 3.254 20 0 DGADLP CC[C@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185637056 165011465 /nfs/dbraw/zinc/01/14/65/165011465.db2.gz KGFGUYXBQZFCBD-OWQGQXMQSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185637056 165011467 /nfs/dbraw/zinc/01/14/67/165011467.db2.gz KGFGUYXBQZFCBD-OWQGQXMQSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000187724499 165102129 /nfs/dbraw/zinc/10/21/29/165102129.db2.gz GBZQJRIASALAQW-UHFFFAOYSA-N 2 2 311.429 3.143 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000188813818 165138597 /nfs/dbraw/zinc/13/85/97/165138597.db2.gz CVJDWWWRIVUXRH-DLBZAZTESA-N 2 2 322.880 3.462 20 0 DGADLP Clc1ncccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192926486 165310438 /nfs/dbraw/zinc/31/04/38/165310438.db2.gz LFQLAOPCVSVHJU-INIZCTEOSA-N 2 2 315.848 3.347 20 0 DGADLP Clc1ncccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192926486 165310443 /nfs/dbraw/zinc/31/04/43/165310443.db2.gz LFQLAOPCVSVHJU-INIZCTEOSA-N 2 2 315.848 3.347 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC000193305757 165322625 /nfs/dbraw/zinc/32/26/25/165322625.db2.gz AJDJKJCGEXZPSA-KRWWSPQJSA-N 2 2 316.445 3.124 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC000193305757 165322628 /nfs/dbraw/zinc/32/26/28/165322628.db2.gz AJDJKJCGEXZPSA-KRWWSPQJSA-N 2 2 316.445 3.124 20 0 DGADLP c1ccc(NCCC[NH2+]CCCc2ccc3c(c2)CCO3)[nH+]c1 ZINC000193309958 165322956 /nfs/dbraw/zinc/32/29/56/165322956.db2.gz FCVKSCGZAYOLPW-UHFFFAOYSA-N 2 2 311.429 3.041 20 0 DGADLP CC[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000193559998 165329624 /nfs/dbraw/zinc/32/96/24/165329624.db2.gz WWWNHSUXSKEKQC-WQVCFCJDSA-N 2 2 303.450 3.038 20 0 DGADLP C=Cn1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000194317339 165343038 /nfs/dbraw/zinc/34/30/38/165343038.db2.gz FBLSMNDQXANWGH-INIZCTEOSA-N 2 2 310.445 3.299 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1C ZINC000194590168 165350491 /nfs/dbraw/zinc/35/04/91/165350491.db2.gz VPTKVVCBGKTVHJ-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1C ZINC000194590168 165350497 /nfs/dbraw/zinc/35/04/97/165350497.db2.gz VPTKVVCBGKTVHJ-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000230676412 165398881 /nfs/dbraw/zinc/39/88/81/165398881.db2.gz LAAZBPNHKXMLDA-AAEUAGOBSA-N 2 2 302.340 3.158 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000230676412 165398885 /nfs/dbraw/zinc/39/88/85/165398885.db2.gz LAAZBPNHKXMLDA-AAEUAGOBSA-N 2 2 302.340 3.158 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CS1 ZINC000365384074 287126374 /nfs/dbraw/zinc/12/63/74/287126374.db2.gz JQFAPKYILWJKQB-GJZGRUSLSA-N 2 2 316.474 3.277 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365400749 287127933 /nfs/dbraw/zinc/12/79/33/287127933.db2.gz AQSAZQBHWQUNRI-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365400749 287127934 /nfs/dbraw/zinc/12/79/34/287127934.db2.gz AQSAZQBHWQUNRI-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000365625015 287155233 /nfs/dbraw/zinc/15/52/33/287155233.db2.gz HGSAKZNNAWHARP-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000365625015 287155234 /nfs/dbraw/zinc/15/52/34/287155234.db2.gz HGSAKZNNAWHARP-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000365638040 287156978 /nfs/dbraw/zinc/15/69/78/287156978.db2.gz LVEGDSGVWZOPMR-HNNXBMFYSA-N 2 2 321.465 3.112 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000365638040 287156981 /nfs/dbraw/zinc/15/69/81/287156981.db2.gz LVEGDSGVWZOPMR-HNNXBMFYSA-N 2 2 321.465 3.112 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000365760900 287168676 /nfs/dbraw/zinc/16/86/76/287168676.db2.gz HIOGEUQMCDMMJG-CQSZACIVSA-N 2 2 317.458 3.489 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000365760900 287168677 /nfs/dbraw/zinc/16/86/77/287168677.db2.gz HIOGEUQMCDMMJG-CQSZACIVSA-N 2 2 317.458 3.489 20 0 DGADLP COCc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000129041325 196013907 /nfs/dbraw/zinc/01/39/07/196013907.db2.gz LSMUZABIZQLOBN-INIZCTEOSA-N 2 2 316.445 3.426 20 0 DGADLP COCc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000129041325 196013909 /nfs/dbraw/zinc/01/39/09/196013909.db2.gz LSMUZABIZQLOBN-INIZCTEOSA-N 2 2 316.445 3.426 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)c1 ZINC000171612724 432151530 /nfs/dbraw/zinc/15/15/30/432151530.db2.gz LRNJMYUYJNWROA-CQSZACIVSA-N 2 2 315.392 3.113 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672331 432153935 /nfs/dbraw/zinc/15/39/35/432153935.db2.gz UIZYOLMGOWDOFV-HKUYNNGSSA-N 2 2 302.462 3.182 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672331 432153939 /nfs/dbraw/zinc/15/39/39/432153939.db2.gz UIZYOLMGOWDOFV-HKUYNNGSSA-N 2 2 302.462 3.182 20 0 DGADLP Cc1ccc(C[N@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181989215 432153997 /nfs/dbraw/zinc/15/39/97/432153997.db2.gz IXFCVSXGRXHKFG-UHFFFAOYSA-N 2 2 321.424 3.175 20 0 DGADLP Cc1ccc(C[N@@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000181989215 432154001 /nfs/dbraw/zinc/15/40/01/432154001.db2.gz IXFCVSXGRXHKFG-UHFFFAOYSA-N 2 2 321.424 3.175 20 0 DGADLP Clc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1Br ZINC000137070131 432169594 /nfs/dbraw/zinc/16/95/94/432169594.db2.gz SPPCZZDBOUXHGU-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000137414134 432177606 /nfs/dbraw/zinc/17/76/06/432177606.db2.gz HHHLZBFYFFLBTI-CHWSQXEVSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000137414134 432177610 /nfs/dbraw/zinc/17/76/10/432177610.db2.gz HHHLZBFYFFLBTI-CHWSQXEVSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](Cn1cccn1)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000137913916 432181445 /nfs/dbraw/zinc/18/14/45/432181445.db2.gz NQALFFZGZMPLQI-KRWDZBQOSA-N 2 2 304.482 3.050 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246867692 432173537 /nfs/dbraw/zinc/17/35/37/432173537.db2.gz DGQWHRIHFPUXQS-HLLBOEOZSA-N 2 2 305.466 3.079 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246867692 432173542 /nfs/dbraw/zinc/17/35/42/432173542.db2.gz DGQWHRIHFPUXQS-HLLBOEOZSA-N 2 2 305.466 3.079 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000246876609 432176167 /nfs/dbraw/zinc/17/61/67/432176167.db2.gz DEIJBFPRFHQOET-SOLBZPMBSA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000246876609 432176171 /nfs/dbraw/zinc/17/61/71/432176171.db2.gz DEIJBFPRFHQOET-SOLBZPMBSA-N 2 2 304.478 3.300 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000172013375 432191612 /nfs/dbraw/zinc/19/16/12/432191612.db2.gz DCNJRAIOYVPNSA-WBVHZDCISA-N 2 2 300.450 3.154 20 0 DGADLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000182524685 432199156 /nfs/dbraw/zinc/19/91/56/432199156.db2.gz JXOVQZSCBDEGBR-IRXDYDNUSA-N 2 2 322.880 3.053 20 0 DGADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000182524720 432199594 /nfs/dbraw/zinc/19/95/94/432199594.db2.gz JXOVQZSCBDEGBR-DLBZAZTESA-N 2 2 322.880 3.053 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000247036376 432193587 /nfs/dbraw/zinc/19/35/87/432193587.db2.gz MMGZHVCHABNLBJ-HZSPNIEDSA-N 2 2 303.475 3.472 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000247036376 432193590 /nfs/dbraw/zinc/19/35/90/432193590.db2.gz MMGZHVCHABNLBJ-HZSPNIEDSA-N 2 2 303.475 3.472 20 0 DGADLP C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000150952834 432205406 /nfs/dbraw/zinc/20/54/06/432205406.db2.gz RJBKWSZTUNRMTG-UHFFFAOYSA-N 2 2 315.417 3.036 20 0 DGADLP C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000150952834 432205408 /nfs/dbraw/zinc/20/54/08/432205408.db2.gz RJBKWSZTUNRMTG-UHFFFAOYSA-N 2 2 315.417 3.036 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000247268984 432216855 /nfs/dbraw/zinc/21/68/55/432216855.db2.gz ZUGDJJLZRIVDJA-MNEFBYGVSA-N 2 2 312.461 3.124 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000247268984 432216857 /nfs/dbraw/zinc/21/68/57/432216857.db2.gz ZUGDJJLZRIVDJA-MNEFBYGVSA-N 2 2 312.461 3.124 20 0 DGADLP Fc1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247303212 432220644 /nfs/dbraw/zinc/22/06/44/432220644.db2.gz ZTPWWUJSTURRIT-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247303212 432220645 /nfs/dbraw/zinc/22/06/45/432220645.db2.gz ZTPWWUJSTURRIT-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247303212 432220647 /nfs/dbraw/zinc/22/06/47/432220647.db2.gz ZTPWWUJSTURRIT-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247303212 432220648 /nfs/dbraw/zinc/22/06/48/432220648.db2.gz ZTPWWUJSTURRIT-SCLBCKFNSA-N 2 2 306.400 3.414 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000151150517 432223870 /nfs/dbraw/zinc/22/38/70/432223870.db2.gz MOJHVFFKZQRSHI-GFCCVEGCSA-N 2 2 323.824 3.295 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673622 196190006 /nfs/dbraw/zinc/19/00/06/196190006.db2.gz HFFIRCKRRJNWMT-NEPJUHHUSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673622 196190008 /nfs/dbraw/zinc/19/00/08/196190008.db2.gz HFFIRCKRRJNWMT-NEPJUHHUSA-N 2 2 305.809 3.164 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000132030332 196220084 /nfs/dbraw/zinc/22/00/84/196220084.db2.gz FNTHQWKTWQFABF-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000132030332 196220086 /nfs/dbraw/zinc/22/00/86/196220086.db2.gz FNTHQWKTWQFABF-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000132140640 196229690 /nfs/dbraw/zinc/22/96/90/196229690.db2.gz QHRVLHWKKDROSJ-OAHLLOKOSA-N 3 2 314.477 3.419 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415073577 287311555 /nfs/dbraw/zinc/31/15/55/287311555.db2.gz ZNMPSOGMEOCBJM-AYOQOUSVSA-N 3 2 307.526 3.137 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000295802646 225256418 /nfs/dbraw/zinc/25/64/18/225256418.db2.gz CGCWXVVSXYFJDU-VQIMIIECSA-N 2 2 324.472 3.492 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000295802646 225256421 /nfs/dbraw/zinc/25/64/21/225256421.db2.gz CGCWXVVSXYFJDU-VQIMIIECSA-N 2 2 324.472 3.492 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636486 226072134 /nfs/dbraw/zinc/07/21/34/226072134.db2.gz BTNUFORLZKCFSZ-WMZOPIPTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636486 226072138 /nfs/dbraw/zinc/07/21/38/226072138.db2.gz BTNUFORLZKCFSZ-WMZOPIPTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357200 227059000 /nfs/dbraw/zinc/05/90/00/227059000.db2.gz PNFCBJLLYGDPMO-JXFKEZNVSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357200 227059005 /nfs/dbraw/zinc/05/90/05/227059005.db2.gz PNFCBJLLYGDPMO-JXFKEZNVSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1cnn(C)c1 ZINC000297379680 227088950 /nfs/dbraw/zinc/08/89/50/227088950.db2.gz QXTYHHACBGZFRM-LBPRGKRZSA-N 2 2 315.808 3.110 20 0 DGADLP COCCC[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297390121 227104994 /nfs/dbraw/zinc/10/49/94/227104994.db2.gz RRUXGOILMXLVPU-ZDUSSCGKSA-N 2 2 307.825 3.430 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000290359238 221599422 /nfs/dbraw/zinc/59/94/22/221599422.db2.gz MOYQIEAONUSGCA-RDTXWAMCSA-N 2 2 302.393 3.173 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000291081561 222122556 /nfs/dbraw/zinc/12/25/56/222122556.db2.gz NQVMZQREASIDNL-DLBZAZTESA-N 2 2 303.450 3.089 20 0 DGADLP COCCCCc1ccc[nH+]c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000291081561 222122558 /nfs/dbraw/zinc/12/25/58/222122558.db2.gz NQVMZQREASIDNL-DLBZAZTESA-N 2 2 303.450 3.089 20 0 DGADLP COCC[C@@H](C)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000154223604 292624659 /nfs/dbraw/zinc/62/46/59/292624659.db2.gz BLAFPFPTKGCKJD-VQIMIIECSA-N 2 2 320.477 3.237 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165449537 228265672 /nfs/dbraw/zinc/26/56/72/228265672.db2.gz QEULBFVCOBJDDW-DLBZAZTESA-N 2 2 312.417 3.109 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCCNc2[nH+]c3cccc(F)c3n2C)C1 ZINC000443522611 533683816 /nfs/dbraw/zinc/68/38/16/533683816.db2.gz ZSUURSCXADKXKS-CQSZACIVSA-N 2 2 318.440 3.058 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCCNc2[nH+]c3cccc(F)c3n2C)C1 ZINC000443522611 533683822 /nfs/dbraw/zinc/68/38/22/533683822.db2.gz ZSUURSCXADKXKS-CQSZACIVSA-N 2 2 318.440 3.058 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc[nH+]1 ZINC000302257233 230199980 /nfs/dbraw/zinc/19/99/80/230199980.db2.gz CFNYGPKCPYZDAY-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)[C@H]1CCC[NH2+]1 ZINC000422960369 274262762 /nfs/dbraw/zinc/26/27/62/274262762.db2.gz WBUJHYIGCGZWIO-KMUNFCNLSA-N 2 2 309.251 3.167 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000193946065 263803890 /nfs/dbraw/zinc/80/38/90/263803890.db2.gz HNHITMCAKAJFAE-AKHDSKFASA-N 2 2 314.473 3.227 20 0 DGADLP OCCC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000346429572 264030450 /nfs/dbraw/zinc/03/04/50/264030450.db2.gz BIIGVTSQJJGAMG-LJQANCHMSA-N 2 2 316.489 3.183 20 0 DGADLP OCCC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000346429572 264030452 /nfs/dbraw/zinc/03/04/52/264030452.db2.gz BIIGVTSQJJGAMG-LJQANCHMSA-N 2 2 316.489 3.183 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447094 264033863 /nfs/dbraw/zinc/03/38/63/264033863.db2.gz ANTNCOYBUFIEBJ-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447094 264033866 /nfs/dbraw/zinc/03/38/66/264033866.db2.gz ANTNCOYBUFIEBJ-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC[N@@H+]1C ZINC000346566854 264056154 /nfs/dbraw/zinc/05/61/54/264056154.db2.gz LUXDETXIAYXFNQ-MDASCCDHSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC[N@H+]1C ZINC000346566854 264056156 /nfs/dbraw/zinc/05/61/56/264056156.db2.gz LUXDETXIAYXFNQ-MDASCCDHSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC[N@@H+]1C ZINC000346577763 264058111 /nfs/dbraw/zinc/05/81/11/264058111.db2.gz VRWRHXGKNOLKDC-DKSSEZFCSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC[N@H+]1C ZINC000346577763 264058113 /nfs/dbraw/zinc/05/81/13/264058113.db2.gz VRWRHXGKNOLKDC-DKSSEZFCSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795046 264098574 /nfs/dbraw/zinc/09/85/74/264098574.db2.gz MQYBMWFHJWMOMB-JQWIXIFHSA-N 2 2 309.866 3.380 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795046 264098575 /nfs/dbraw/zinc/09/85/75/264098575.db2.gz MQYBMWFHJWMOMB-JQWIXIFHSA-N 2 2 309.866 3.380 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1OC ZINC000346801735 264100356 /nfs/dbraw/zinc/10/03/56/264100356.db2.gz CFOAOHIXGKCHJA-LZWOXQAQSA-N 2 2 306.450 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1OC ZINC000346801735 264100358 /nfs/dbraw/zinc/10/03/58/264100358.db2.gz CFOAOHIXGKCHJA-LZWOXQAQSA-N 2 2 306.450 3.146 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000346858753 264110510 /nfs/dbraw/zinc/11/05/10/264110510.db2.gz RUTRSFSYGWWGKE-HZPDHXFCSA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000346858753 264110512 /nfs/dbraw/zinc/11/05/12/264110512.db2.gz RUTRSFSYGWWGKE-HZPDHXFCSA-N 2 2 316.470 3.353 20 0 DGADLP Cc1nc(-c2cc3c(s2)CC[N@H+](CC(C)(C)[NH3+])C3)cs1 ZINC000346982139 264132813 /nfs/dbraw/zinc/13/28/13/264132813.db2.gz NFVIFOJGSWAROB-UHFFFAOYSA-N 2 2 307.488 3.275 20 0 DGADLP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(C)(C)[NH3+])C3)cs1 ZINC000346982139 264132814 /nfs/dbraw/zinc/13/28/14/264132814.db2.gz NFVIFOJGSWAROB-UHFFFAOYSA-N 2 2 307.488 3.275 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@H]1C[NH3+] ZINC000347004516 264138256 /nfs/dbraw/zinc/13/82/56/264138256.db2.gz AAGNVRZBGHKTSX-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@H]1C[NH3+] ZINC000347004516 264138257 /nfs/dbraw/zinc/13/82/57/264138257.db2.gz AAGNVRZBGHKTSX-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000347034015 264144242 /nfs/dbraw/zinc/14/42/42/264144242.db2.gz BRYJRVJCUZZUPX-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000347054589 264148473 /nfs/dbraw/zinc/14/84/73/264148473.db2.gz UCBKPKCEUDTFDB-GFCCVEGCSA-N 2 2 302.340 3.001 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000347054589 264148476 /nfs/dbraw/zinc/14/84/76/264148476.db2.gz UCBKPKCEUDTFDB-GFCCVEGCSA-N 2 2 302.340 3.001 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OC ZINC000347086480 264154368 /nfs/dbraw/zinc/15/43/68/264154368.db2.gz DVZJSGVCERVUDO-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OC ZINC000347086480 264154370 /nfs/dbraw/zinc/15/43/70/264154370.db2.gz DVZJSGVCERVUDO-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C3CC[NH2+]CC3)s2)cc1 ZINC000347091377 264154624 /nfs/dbraw/zinc/15/46/24/264154624.db2.gz FFUQOGFJQOLJNM-UHFFFAOYSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)C3CC[NH2+]CC3)s2)cc1 ZINC000347091377 264154626 /nfs/dbraw/zinc/15/46/26/264154626.db2.gz FFUQOGFJQOLJNM-UHFFFAOYSA-N 2 2 301.459 3.302 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000347101672 264156759 /nfs/dbraw/zinc/15/67/59/264156759.db2.gz LDYYQMAXFAOGFK-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347099085 264156788 /nfs/dbraw/zinc/15/67/88/264156788.db2.gz KHROOQRQTCEQEZ-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000347099085 264156789 /nfs/dbraw/zinc/15/67/89/264156789.db2.gz KHROOQRQTCEQEZ-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP c1ccc(CSCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347106052 264157465 /nfs/dbraw/zinc/15/74/65/264157465.db2.gz UGBMGVZANLSGJM-GOSISDBHSA-N 2 2 314.454 3.468 20 0 DGADLP CCCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(OCCC)c1 ZINC000347194278 264174281 /nfs/dbraw/zinc/17/42/81/264174281.db2.gz GRASJIUOSFMSGQ-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP CCCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)c(OCCC)c1 ZINC000347194278 264174283 /nfs/dbraw/zinc/17/42/83/264174283.db2.gz GRASJIUOSFMSGQ-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc2[nH+]1 ZINC000347258986 264185133 /nfs/dbraw/zinc/18/51/33/264185133.db2.gz ODZOQDVYZHKQGT-KRWDZBQOSA-N 2 2 316.449 3.430 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000347457711 264223938 /nfs/dbraw/zinc/22/39/38/264223938.db2.gz QEGYXYPCBUDFSX-UHFFFAOYSA-N 2 2 318.509 3.312 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347457711 264223939 /nfs/dbraw/zinc/22/39/39/264223939.db2.gz QEGYXYPCBUDFSX-UHFFFAOYSA-N 2 2 318.509 3.312 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000347615879 264252470 /nfs/dbraw/zinc/25/24/70/264252470.db2.gz RIOVJBPXGYYMRN-FQEVSTJZSA-N 2 2 310.441 3.266 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000347615879 264252472 /nfs/dbraw/zinc/25/24/72/264252472.db2.gz RIOVJBPXGYYMRN-FQEVSTJZSA-N 2 2 310.441 3.266 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000347659010 264261198 /nfs/dbraw/zinc/26/11/98/264261198.db2.gz WIAAUXRCBMNNOP-UHFFFAOYSA-N 3 2 303.494 3.376 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000347773054 264281806 /nfs/dbraw/zinc/28/18/06/264281806.db2.gz JHVSHEHBIRHROO-KRWDZBQOSA-N 2 2 304.478 3.086 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)s1 ZINC000347845728 264294049 /nfs/dbraw/zinc/29/40/49/264294049.db2.gz CYHOHRVMNNEPSE-UHFFFAOYSA-N 2 2 315.486 3.498 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2Cc3ccccc3C(C)(C)C2)s1 ZINC000347845728 264294050 /nfs/dbraw/zinc/29/40/50/264294050.db2.gz CYHOHRVMNNEPSE-UHFFFAOYSA-N 2 2 315.486 3.498 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347851726 264295055 /nfs/dbraw/zinc/29/50/55/264295055.db2.gz PVEFCHCWGQDWEA-UHFFFAOYSA-N 2 2 319.474 3.154 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1C ZINC000347851726 264295056 /nfs/dbraw/zinc/29/50/56/264295056.db2.gz PVEFCHCWGQDWEA-UHFFFAOYSA-N 2 2 319.474 3.154 20 0 DGADLP Cc1cc[nH+]cc1CCCNc1cccc(OCC[NH+](C)C)c1 ZINC000347922343 264306832 /nfs/dbraw/zinc/30/68/32/264306832.db2.gz RYWDECGAUSIVDE-UHFFFAOYSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000347953250 264313679 /nfs/dbraw/zinc/31/36/79/264313679.db2.gz FUEFBSSUIFIUFX-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)cn1 ZINC000348083069 264336905 /nfs/dbraw/zinc/33/69/05/264336905.db2.gz KHWDPIRQAQBDCE-KKUMJFAQSA-N 2 2 323.456 3.248 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000348089684 264337379 /nfs/dbraw/zinc/33/73/79/264337379.db2.gz UIUMQJIXFGDGHT-OAHLLOKOSA-N 2 2 316.848 3.488 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)c2ccc(F)cc2)CC1 ZINC000348128913 264347870 /nfs/dbraw/zinc/34/78/70/264347870.db2.gz WKJJYAOSJNPRGP-UHFFFAOYSA-N 2 2 306.425 3.203 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)c2ccc(F)cc2)CC1 ZINC000348128913 264347872 /nfs/dbraw/zinc/34/78/72/264347872.db2.gz WKJJYAOSJNPRGP-UHFFFAOYSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cncc(F)c1 ZINC000348192207 264362013 /nfs/dbraw/zinc/36/20/13/264362013.db2.gz JYCRZWFNKZAVJU-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP Cc1ncc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000348305757 264386597 /nfs/dbraw/zinc/38/65/97/264386597.db2.gz KNYYPPXRHFBCPC-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nnc(C)s1 ZINC000348325124 264390559 /nfs/dbraw/zinc/39/05/59/264390559.db2.gz VUFPHCKRBZLDDI-QEJZJMRPSA-N 2 2 310.511 3.398 20 0 DGADLP CSc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000352348252 265011277 /nfs/dbraw/zinc/01/12/77/265011277.db2.gz ZZUVJDKKQBBNMO-UHFFFAOYSA-N 2 2 313.470 3.434 20 0 DGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352375900 265023589 /nfs/dbraw/zinc/02/35/89/265023589.db2.gz HBTOXHIZQZQONP-GPANFISMSA-N 2 2 322.880 3.286 20 0 DGADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352375900 265023590 /nfs/dbraw/zinc/02/35/90/265023590.db2.gz HBTOXHIZQZQONP-GPANFISMSA-N 2 2 322.880 3.286 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000352467071 265059699 /nfs/dbraw/zinc/05/96/99/265059699.db2.gz IFFZZYPQQFONIF-QZFKAFNDSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000352467071 265059701 /nfs/dbraw/zinc/05/97/01/265059701.db2.gz IFFZZYPQQFONIF-QZFKAFNDSA-N 2 2 302.462 3.309 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000352518135 265077826 /nfs/dbraw/zinc/07/78/26/265077826.db2.gz HGGHSWVIHDVLSY-OAHLLOKOSA-N 2 2 303.381 3.184 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000352518135 265077831 /nfs/dbraw/zinc/07/78/31/265077831.db2.gz HGGHSWVIHDVLSY-OAHLLOKOSA-N 2 2 303.381 3.184 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000352526213 265079341 /nfs/dbraw/zinc/07/93/41/265079341.db2.gz LMVYBYUHVWAVGF-SFHVURJKSA-N 2 2 324.415 3.480 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000352526213 265079345 /nfs/dbraw/zinc/07/93/45/265079345.db2.gz LMVYBYUHVWAVGF-SFHVURJKSA-N 2 2 324.415 3.480 20 0 DGADLP Fc1ccc(/C=C\C[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000352750360 265151041 /nfs/dbraw/zinc/15/10/41/265151041.db2.gz QENHMUULEGDZES-HYXAFXHYSA-N 2 2 303.356 3.465 20 0 DGADLP Cc1cnc([C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)s1 ZINC000352759860 265155664 /nfs/dbraw/zinc/15/56/64/265155664.db2.gz MLFUIPDRRQNLQE-AWEZNQCLSA-N 2 2 322.503 3.211 20 0 DGADLP COc1cc(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000352852095 265198313 /nfs/dbraw/zinc/19/83/13/265198313.db2.gz DSMRKYFSEGLPQL-UHFFFAOYSA-N 2 2 315.417 3.115 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000352852873 265198939 /nfs/dbraw/zinc/19/89/39/265198939.db2.gz LEBBGVRROLRJTD-UHFFFAOYSA-N 2 2 312.461 3.240 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000352852873 265198941 /nfs/dbraw/zinc/19/89/41/265198941.db2.gz LEBBGVRROLRJTD-UHFFFAOYSA-N 2 2 312.461 3.240 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007544 265264590 /nfs/dbraw/zinc/26/45/90/265264590.db2.gz VEMSXRVSNIWLLS-WFASDCNBSA-N 2 2 319.499 3.398 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007544 265264595 /nfs/dbraw/zinc/26/45/95/265264595.db2.gz VEMSXRVSNIWLLS-WFASDCNBSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007544 265264599 /nfs/dbraw/zinc/26/45/99/265264599.db2.gz VEMSXRVSNIWLLS-WFASDCNBSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)[C@H]2C1 ZINC000353007544 265264602 /nfs/dbraw/zinc/26/46/02/265264602.db2.gz VEMSXRVSNIWLLS-WFASDCNBSA-N 2 2 319.499 3.398 20 0 DGADLP C[N@H+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353150974 265319877 /nfs/dbraw/zinc/31/98/77/265319877.db2.gz DCTHCWGGBNUXHO-FUNVUKJBSA-N 2 2 313.367 3.157 20 0 DGADLP C[N@@H+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353150974 265319881 /nfs/dbraw/zinc/31/98/81/265319881.db2.gz DCTHCWGGBNUXHO-FUNVUKJBSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353150974 265319885 /nfs/dbraw/zinc/31/98/85/265319885.db2.gz DCTHCWGGBNUXHO-FUNVUKJBSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353150974 265319889 /nfs/dbraw/zinc/31/98/89/265319889.db2.gz DCTHCWGGBNUXHO-FUNVUKJBSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCC34CCCC4)[nH+]c2)C1 ZINC000353290241 265376449 /nfs/dbraw/zinc/37/64/49/265376449.db2.gz KZMUUFXMDBWGEV-SJORKVTESA-N 2 2 314.477 3.357 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000353322692 265389072 /nfs/dbraw/zinc/38/90/72/265389072.db2.gz WJPBNOZNLMYBOB-FOWTUZBSSA-N 2 2 302.462 3.310 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000353325350 265389583 /nfs/dbraw/zinc/38/95/83/265389583.db2.gz LNSGBZUXWKMGDJ-DYVFJYSZSA-N 2 2 311.429 3.219 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000354652568 265834766 /nfs/dbraw/zinc/83/47/66/265834766.db2.gz RHOAXBSLBSFGGV-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000354652568 265834769 /nfs/dbraw/zinc/83/47/69/265834769.db2.gz RHOAXBSLBSFGGV-DYESRHJHSA-N 2 2 323.484 3.433 20 0 DGADLP c1cc2c(nc(C3CC3)[nH+]c2NC[C@H]2CCCn3cc[nH+]c32)[nH]1 ZINC000631175896 424831485 /nfs/dbraw/zinc/83/14/85/424831485.db2.gz ZETNIVJFUJTECL-GFCCVEGCSA-N 2 2 308.389 3.021 20 0 DGADLP Cn1nccc1C[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000355296480 266030667 /nfs/dbraw/zinc/03/06/67/266030667.db2.gz SWPWAEDRPHXEFM-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP Cn1nccc1C[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000355296480 266030670 /nfs/dbraw/zinc/03/06/70/266030670.db2.gz SWPWAEDRPHXEFM-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP Cn1nccc1C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000355296480 266030672 /nfs/dbraw/zinc/03/06/72/266030672.db2.gz SWPWAEDRPHXEFM-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP Cn1nccc1C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000355296480 266030674 /nfs/dbraw/zinc/03/06/74/266030674.db2.gz SWPWAEDRPHXEFM-UHFFFAOYSA-N 2 2 314.477 3.010 20 0 DGADLP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000355329554 266040496 /nfs/dbraw/zinc/04/04/96/266040496.db2.gz JLVDUEYESYPPTQ-NUEKZKHPSA-N 2 2 314.433 3.005 20 0 DGADLP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000355329554 266040498 /nfs/dbraw/zinc/04/04/98/266040498.db2.gz JLVDUEYESYPPTQ-NUEKZKHPSA-N 2 2 314.433 3.005 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000355516762 266100718 /nfs/dbraw/zinc/10/07/18/266100718.db2.gz XNYIIDRNODDFEL-UHFFFAOYSA-N 2 2 317.352 3.285 20 0 DGADLP CSC1(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCC1 ZINC000356167032 266305782 /nfs/dbraw/zinc/30/57/82/266305782.db2.gz OMHQURBEHYOZND-UHFFFAOYSA-N 2 2 315.486 3.349 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)[nH+]1 ZINC000356360900 266365621 /nfs/dbraw/zinc/36/56/21/266365621.db2.gz IWHRIJCZIZTKAZ-FQEVSTJZSA-N 2 2 319.408 3.304 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)[nH+]1 ZINC000356360900 266365622 /nfs/dbraw/zinc/36/56/22/266365622.db2.gz IWHRIJCZIZTKAZ-FQEVSTJZSA-N 2 2 319.408 3.304 20 0 DGADLP Cc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc(N2CCCC2)n1 ZINC000356371550 266370650 /nfs/dbraw/zinc/37/06/50/266370650.db2.gz SJGSASFNCXNSCY-UHFFFAOYSA-N 2 2 324.472 3.416 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C(C)(C)O1 ZINC000151355473 432239693 /nfs/dbraw/zinc/23/96/93/432239693.db2.gz YJWUGSPWKROVCF-QGZVFWFLSA-N 2 2 313.445 3.367 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479341 271025917 /nfs/dbraw/zinc/02/59/17/271025917.db2.gz KZZMYKABIVXCCK-WFASDCNBSA-N 2 2 324.490 3.148 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479341 271025922 /nfs/dbraw/zinc/02/59/22/271025922.db2.gz KZZMYKABIVXCCK-WFASDCNBSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479341 271025925 /nfs/dbraw/zinc/02/59/25/271025925.db2.gz KZZMYKABIVXCCK-WFASDCNBSA-N 2 2 324.490 3.148 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)C[C@@H]1C ZINC000362479341 271025930 /nfs/dbraw/zinc/02/59/30/271025930.db2.gz KZZMYKABIVXCCK-WFASDCNBSA-N 2 2 324.490 3.148 20 0 DGADLP FC(F)(F)c1ccc([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000368388619 271151438 /nfs/dbraw/zinc/15/14/38/271151438.db2.gz COEIPYGYIUWBAJ-AWEZNQCLSA-N 2 2 309.335 3.391 20 0 DGADLP FC(F)(F)c1ccc([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000368388619 271151440 /nfs/dbraw/zinc/15/14/40/271151440.db2.gz COEIPYGYIUWBAJ-AWEZNQCLSA-N 2 2 309.335 3.391 20 0 DGADLP Fc1cccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1F ZINC000368733323 271200291 /nfs/dbraw/zinc/20/02/91/271200291.db2.gz RWMDMUQOZYCAPU-UHFFFAOYSA-N 2 2 305.372 3.431 20 0 DGADLP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000369556961 271291711 /nfs/dbraw/zinc/29/17/11/271291711.db2.gz QUARZTSZVNDKPF-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000369556961 271291715 /nfs/dbraw/zinc/29/17/15/271291715.db2.gz QUARZTSZVNDKPF-SFHVURJKSA-N 2 2 318.509 3.408 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000370634995 271375874 /nfs/dbraw/zinc/37/58/74/271375874.db2.gz NKCLMAGAUMTLDH-PMPSAXMXSA-N 2 2 308.491 3.288 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000370634995 271375876 /nfs/dbraw/zinc/37/58/76/271375876.db2.gz NKCLMAGAUMTLDH-PMPSAXMXSA-N 2 2 308.491 3.288 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000247884252 432252087 /nfs/dbraw/zinc/25/20/87/432252087.db2.gz CKSJHARDLWROTA-CRAIPNDOSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000247884252 432252091 /nfs/dbraw/zinc/25/20/91/432252091.db2.gz CKSJHARDLWROTA-CRAIPNDOSA-N 2 2 315.486 3.186 20 0 DGADLP C[NH+](C)[C@@H]1CCCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000450485598 273807247 /nfs/dbraw/zinc/80/72/47/273807247.db2.gz JNYDOPMGRDHPGG-CYBMUJFWSA-N 2 2 309.417 3.032 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000183090238 432257457 /nfs/dbraw/zinc/25/74/57/432257457.db2.gz YEXIQTVACVLXBN-IRXDYDNUSA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000183090238 432257459 /nfs/dbraw/zinc/25/74/59/432257459.db2.gz YEXIQTVACVLXBN-IRXDYDNUSA-N 2 2 320.477 3.011 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000449350519 274026227 /nfs/dbraw/zinc/02/62/27/274026227.db2.gz MDKSKDNUABSYTA-SFHVURJKSA-N 2 2 324.415 3.043 20 0 DGADLP COC[C@]1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423415420 274052744 /nfs/dbraw/zinc/05/27/44/274052744.db2.gz OZGPHBMDNGNBQA-DLBZAZTESA-N 2 2 308.853 3.076 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000289238890 274140920 /nfs/dbraw/zinc/14/09/20/274140920.db2.gz MPWRXTBTTYGKPK-HRCADAONSA-N 2 2 304.409 3.038 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000289238890 274140923 /nfs/dbraw/zinc/14/09/23/274140923.db2.gz MPWRXTBTTYGKPK-HRCADAONSA-N 2 2 304.409 3.038 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446977293 274153366 /nfs/dbraw/zinc/15/33/66/274153366.db2.gz MSCNGMAZDQZCQW-WMZOPIPTSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446977293 274153367 /nfs/dbraw/zinc/15/33/67/274153367.db2.gz MSCNGMAZDQZCQW-WMZOPIPTSA-N 2 2 314.473 3.159 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376937 274277400 /nfs/dbraw/zinc/27/74/00/274277400.db2.gz JLHWLEZKWKJYHU-HRAATJIYSA-N 3 2 321.468 3.215 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376937 274277403 /nfs/dbraw/zinc/27/74/03/274277403.db2.gz JLHWLEZKWKJYHU-HRAATJIYSA-N 3 2 321.468 3.215 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261618507 274280849 /nfs/dbraw/zinc/28/08/49/274280849.db2.gz BZXRVESQQKPIEQ-ZBEGNZNMSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261618507 274280850 /nfs/dbraw/zinc/28/08/50/274280850.db2.gz BZXRVESQQKPIEQ-ZBEGNZNMSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@H]1C[C@@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000419723275 274618632 /nfs/dbraw/zinc/61/86/32/274618632.db2.gz FQMMAIFUJSGGKE-SJCJKPOMSA-N 2 2 318.852 3.164 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)CC3 ZINC000427882681 274766586 /nfs/dbraw/zinc/76/65/86/274766586.db2.gz OPFNZUPEFFLOKQ-LSDHHAIUSA-N 2 2 320.440 3.135 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000247976405 432259618 /nfs/dbraw/zinc/25/96/18/432259618.db2.gz GLEUGTCZGRRNJM-JFRXWTBNSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000247976405 432259622 /nfs/dbraw/zinc/25/96/22/432259622.db2.gz GLEUGTCZGRRNJM-JFRXWTBNSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000247976405 432259625 /nfs/dbraw/zinc/25/96/25/432259625.db2.gz GLEUGTCZGRRNJM-JFRXWTBNSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000247976405 432259629 /nfs/dbraw/zinc/25/96/29/432259629.db2.gz GLEUGTCZGRRNJM-JFRXWTBNSA-N 2 2 302.462 3.321 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000295952197 274806656 /nfs/dbraw/zinc/80/66/56/274806656.db2.gz LMDWEFDLDDYCGK-VQIMIIECSA-N 2 2 324.472 3.452 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCCc4cc(N)ccc43)c[nH+]c12 ZINC000414923435 274813132 /nfs/dbraw/zinc/81/31/32/274813132.db2.gz HDEQHMOGCQRGRH-SFHVURJKSA-N 2 2 306.413 3.392 20 0 DGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000040226485 275370976 /nfs/dbraw/zinc/37/09/76/275370976.db2.gz INIGHXYMDHUVSU-OAHLLOKOSA-N 2 2 309.251 3.122 20 0 DGADLP Brc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423195989 275373596 /nfs/dbraw/zinc/37/35/96/275373596.db2.gz UEYBZQICWPEDFT-ABAIWWIYSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342113187 275752021 /nfs/dbraw/zinc/75/20/21/275752021.db2.gz BISPHSBRBYSPGC-UHFFFAOYSA-N 2 2 317.477 3.343 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423297920 275984949 /nfs/dbraw/zinc/98/49/49/275984949.db2.gz MLTGNZRHCSVRDS-WCQYABFASA-N 2 2 308.857 3.395 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342491 276187704 /nfs/dbraw/zinc/18/77/04/276187704.db2.gz UUQBNAKLRKEPMU-PKOBYXMFSA-N 2 2 314.473 3.463 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342491 276187705 /nfs/dbraw/zinc/18/77/05/276187705.db2.gz UUQBNAKLRKEPMU-PKOBYXMFSA-N 2 2 314.473 3.463 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246818501 276228037 /nfs/dbraw/zinc/22/80/37/276228037.db2.gz ANTAEXHBIPMNRC-LPHOPBHVSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246818501 276228039 /nfs/dbraw/zinc/22/80/39/276228039.db2.gz ANTAEXHBIPMNRC-LPHOPBHVSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCn1cccn1)c1ccccc1 ZINC000157461538 276336866 /nfs/dbraw/zinc/33/68/66/276336866.db2.gz CZEUCIALOMDZFA-HKUYNNGSSA-N 2 2 314.477 3.334 20 0 DGADLP CC[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449432266 276610801 /nfs/dbraw/zinc/61/08/01/276610801.db2.gz GOGHZLHXBNWOLK-ROUUACIJSA-N 2 2 301.478 3.462 20 0 DGADLP CC(C)c1nc2[nH]ccc2c(N[C@H](C)C2CC[NH+](C)CC2)[nH+]1 ZINC000631117898 429974568 /nfs/dbraw/zinc/97/45/68/429974568.db2.gz UATDMJFAIHGVHN-GFCCVEGCSA-N 2 2 301.438 3.224 20 0 DGADLP C[NH+]1CCC([C@@H]2CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)CC1 ZINC000270244143 277033188 /nfs/dbraw/zinc/03/31/88/277033188.db2.gz XDGUEHLABRMVJW-CYBMUJFWSA-N 2 2 313.367 3.269 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000415108236 277173211 /nfs/dbraw/zinc/17/32/11/277173211.db2.gz PTINNCYRMMAARK-QGZVFWFLSA-N 2 2 304.478 3.258 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167399310 277275561 /nfs/dbraw/zinc/27/55/61/277275561.db2.gz MRYMGIBHBBHYLF-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167399310 277275562 /nfs/dbraw/zinc/27/55/62/277275562.db2.gz MRYMGIBHBBHYLF-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000542764562 430223880 /nfs/dbraw/zinc/22/38/80/430223880.db2.gz JPAUXIJQTASPHH-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000542764562 430223883 /nfs/dbraw/zinc/22/38/83/430223883.db2.gz JPAUXIJQTASPHH-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP COc1cccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000191265366 278012483 /nfs/dbraw/zinc/01/24/83/278012483.db2.gz WDKHOECJHJMAOG-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP COc1cccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000191265366 278012484 /nfs/dbraw/zinc/01/24/84/278012484.db2.gz WDKHOECJHJMAOG-INIZCTEOSA-N 2 2 313.445 3.090 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc[nH+]c12 ZINC000275845671 278024545 /nfs/dbraw/zinc/02/45/45/278024545.db2.gz QRYJPISKOGNAKR-GOEBONIOSA-N 2 2 311.429 3.164 20 0 DGADLP COc1cccc2c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc[nH+]c12 ZINC000275845671 278024548 /nfs/dbraw/zinc/02/45/48/278024548.db2.gz QRYJPISKOGNAKR-GOEBONIOSA-N 2 2 311.429 3.164 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000449255660 278026590 /nfs/dbraw/zinc/02/65/90/278026590.db2.gz FWQLWJOASBIGST-VVWQDTPRSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000449255660 278026591 /nfs/dbraw/zinc/02/65/91/278026591.db2.gz FWQLWJOASBIGST-VVWQDTPRSA-N 2 2 302.462 3.053 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)c1cnn(C)c1 ZINC000118953491 288048058 /nfs/dbraw/zinc/04/80/58/288048058.db2.gz ZQUHRBLWQHOFDP-ZWKOTPCHSA-N 2 2 300.450 3.072 20 0 DGADLP Cc1ccn2c(CN3CC[NH2+]Cc4c(C)cccc43)c[nH+]c2c1 ZINC000415095765 278977764 /nfs/dbraw/zinc/97/77/64/278977764.db2.gz CIOJWCKKNLCQKA-UHFFFAOYSA-N 2 2 306.413 3.061 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991233 279178539 /nfs/dbraw/zinc/17/85/39/279178539.db2.gz RJYHAAADZCIWBA-ZBFHGGJFSA-N 2 2 319.449 3.009 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991233 279178541 /nfs/dbraw/zinc/17/85/41/279178541.db2.gz RJYHAAADZCIWBA-ZBFHGGJFSA-N 2 2 319.449 3.009 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000068722556 431139640 /nfs/dbraw/zinc/13/96/40/431139640.db2.gz BULVVIFIBDAXJM-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000068722556 431139644 /nfs/dbraw/zinc/13/96/44/431139644.db2.gz BULVVIFIBDAXJM-ZDUSSCGKSA-N 2 2 319.449 3.381 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000423067210 279416042 /nfs/dbraw/zinc/41/60/42/279416042.db2.gz YWQUAKXCDWADJV-KKXDTOCCSA-N 2 2 314.404 3.197 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(Cl)c1 ZINC000070143072 431242495 /nfs/dbraw/zinc/24/24/95/431242495.db2.gz VTMFBLXUPCDGFF-HNNXBMFYSA-N 2 2 306.841 3.380 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000071314477 431277661 /nfs/dbraw/zinc/27/76/61/431277661.db2.gz NMNLHYSKZODBIF-LBPRGKRZSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000071314477 431277667 /nfs/dbraw/zinc/27/76/67/431277667.db2.gz NMNLHYSKZODBIF-LBPRGKRZSA-N 2 2 315.230 3.162 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000071145197 431271675 /nfs/dbraw/zinc/27/16/75/431271675.db2.gz JPHLJBLZLITLHP-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000071145197 431271682 /nfs/dbraw/zinc/27/16/82/431271682.db2.gz JPHLJBLZLITLHP-GFCCVEGCSA-N 2 2 305.809 3.036 20 0 DGADLP C[N@H+](C[C@@H](O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480694 431389338 /nfs/dbraw/zinc/38/93/38/431389338.db2.gz WJIUJURHCQFFON-OAQYLSRUSA-N 2 2 324.468 3.316 20 0 DGADLP C[N@@H+](C[C@@H](O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480694 431389341 /nfs/dbraw/zinc/38/93/41/431389341.db2.gz WJIUJURHCQFFON-OAQYLSRUSA-N 2 2 324.468 3.316 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115547263 431460318 /nfs/dbraw/zinc/46/03/18/431460318.db2.gz ABZWKHUYMBCCSC-AWEZNQCLSA-N 2 2 310.869 3.180 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115547263 431460323 /nfs/dbraw/zinc/46/03/23/431460323.db2.gz ABZWKHUYMBCCSC-AWEZNQCLSA-N 2 2 310.869 3.180 20 0 DGADLP CC[N@@H+](Cc1ncc(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108463 431526353 /nfs/dbraw/zinc/52/63/53/431526353.db2.gz APCDQJMCNINBKI-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC[N@H+](Cc1ncc(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108463 431526354 /nfs/dbraw/zinc/52/63/54/431526354.db2.gz APCDQJMCNINBKI-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)c2ccccc21 ZINC000447544000 280031755 /nfs/dbraw/zinc/03/17/55/280031755.db2.gz SNOPNIWHSDPJPA-UXPWSPDFSA-N 2 2 316.489 3.429 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422855647 280233124 /nfs/dbraw/zinc/23/31/24/280233124.db2.gz CWVBQIQSQPVUNV-XJKSGUPXSA-N 2 2 323.868 3.097 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136247 431650663 /nfs/dbraw/zinc/65/06/63/431650663.db2.gz QAZJZNJHFUJVOQ-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136247 431650675 /nfs/dbraw/zinc/65/06/75/431650675.db2.gz QAZJZNJHFUJVOQ-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000119119048 431650957 /nfs/dbraw/zinc/65/09/57/431650957.db2.gz JVIXJIPGFRCCQD-APWZRJJASA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000119119048 431650962 /nfs/dbraw/zinc/65/09/62/431650962.db2.gz JVIXJIPGFRCCQD-APWZRJJASA-N 2 2 312.461 3.218 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119126004 431651359 /nfs/dbraw/zinc/65/13/59/431651359.db2.gz JGZOFXITVHXLAT-QYZOEREBSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119126004 431651363 /nfs/dbraw/zinc/65/13/63/431651363.db2.gz JGZOFXITVHXLAT-QYZOEREBSA-N 2 2 302.462 3.056 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119660703 431712350 /nfs/dbraw/zinc/71/23/50/431712350.db2.gz UXULXXQZTZBUMG-QGZVFWFLSA-N 2 2 304.409 3.256 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCCOCC3CC3)C2)cc1 ZINC000120460281 431728244 /nfs/dbraw/zinc/72/82/44/431728244.db2.gz JRAOKJBEUQDVEW-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCCOCC3CC3)C2)cc1 ZINC000120460281 431728250 /nfs/dbraw/zinc/72/82/50/431728250.db2.gz JRAOKJBEUQDVEW-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119870077 431719572 /nfs/dbraw/zinc/71/95/72/431719572.db2.gz HHXVNQAIXLEWMV-UHFFFAOYSA-N 2 2 306.454 3.222 20 0 DGADLP COc1ccc([C@H](C[NH2+]Cc2cc[nH]c2)[NH+]2CCCCC2)cc1 ZINC000086249480 431844482 /nfs/dbraw/zinc/84/44/82/431844482.db2.gz HHZHHGHPARSCHP-IBGZPJMESA-N 2 2 313.445 3.340 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000037644476 431848743 /nfs/dbraw/zinc/84/87/43/431848743.db2.gz DCQHUBVLDMYABO-NSHDSACASA-N 2 2 304.406 3.167 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000037644476 431848746 /nfs/dbraw/zinc/84/87/46/431848746.db2.gz DCQHUBVLDMYABO-NSHDSACASA-N 2 2 304.406 3.167 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000037979435 431852260 /nfs/dbraw/zinc/85/22/60/431852260.db2.gz LMJMWTQXKUXRGX-UHFFFAOYSA-N 2 2 302.340 3.159 20 0 DGADLP COc1cc(Cl)c(C[N@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000084729070 431832367 /nfs/dbraw/zinc/83/23/67/431832367.db2.gz GNPLVSLVIBXCBO-UHFFFAOYSA-N 2 2 303.233 3.186 20 0 DGADLP COc1cc(Cl)c(C[N@@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000084729070 431832369 /nfs/dbraw/zinc/83/23/69/431832369.db2.gz GNPLVSLVIBXCBO-UHFFFAOYSA-N 2 2 303.233 3.186 20 0 DGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561316 431909469 /nfs/dbraw/zinc/90/94/69/431909469.db2.gz OCYVOFXKEDLYEL-GTPINHCMSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092561316 431909470 /nfs/dbraw/zinc/90/94/70/431909470.db2.gz OCYVOFXKEDLYEL-GTPINHCMSA-N 2 2 324.509 3.208 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000123776941 431874228 /nfs/dbraw/zinc/87/42/28/431874228.db2.gz RBBHXOCBFHOWNP-MRXNPFEDSA-N 2 2 315.486 3.467 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000123776941 431874229 /nfs/dbraw/zinc/87/42/29/431874229.db2.gz RBBHXOCBFHOWNP-MRXNPFEDSA-N 2 2 315.486 3.467 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Br ZINC000044534410 431875215 /nfs/dbraw/zinc/87/52/15/431875215.db2.gz ZNIAHBVCPQTWKL-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Br ZINC000044534410 431875216 /nfs/dbraw/zinc/87/52/16/431875216.db2.gz ZNIAHBVCPQTWKL-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000044530980 431875496 /nfs/dbraw/zinc/87/54/96/431875496.db2.gz YJKYHQNYFIUNPJ-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000044530980 431875498 /nfs/dbraw/zinc/87/54/98/431875498.db2.gz YJKYHQNYFIUNPJ-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000044530978 431875701 /nfs/dbraw/zinc/87/57/01/431875701.db2.gz YJKYHQNYFIUNPJ-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000044530978 431875702 /nfs/dbraw/zinc/87/57/02/431875702.db2.gz YJKYHQNYFIUNPJ-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP Cc1nc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cs1 ZINC000124377186 431891397 /nfs/dbraw/zinc/89/13/97/431891397.db2.gz HIKNLFGWMJJJMV-UHFFFAOYSA-N 2 2 300.431 3.061 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091308036 431904381 /nfs/dbraw/zinc/90/43/81/431904381.db2.gz NKOQKJKGYKXXGC-IAQYHMDHSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091308036 431904382 /nfs/dbraw/zinc/90/43/82/431904382.db2.gz NKOQKJKGYKXXGC-IAQYHMDHSA-N 2 2 309.251 3.120 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000098143747 431979859 /nfs/dbraw/zinc/97/98/59/431979859.db2.gz RZOCGUFQOPIQSI-YOEHRIQHSA-N 2 2 310.869 3.083 20 0 DGADLP Fc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000096245640 431943383 /nfs/dbraw/zinc/94/33/83/431943383.db2.gz GTCXNYVRKCCXEN-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000096245640 431943384 /nfs/dbraw/zinc/94/33/84/431943384.db2.gz GTCXNYVRKCCXEN-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000096245640 431943387 /nfs/dbraw/zinc/94/33/87/431943387.db2.gz GTCXNYVRKCCXEN-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Fc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000096245640 431943389 /nfs/dbraw/zinc/94/33/89/431943389.db2.gz GTCXNYVRKCCXEN-KDURUIRLSA-N 2 2 310.416 3.390 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435616053 281198950 /nfs/dbraw/zinc/19/89/50/281198950.db2.gz KYZHCBXVHWAIAE-MRXNPFEDSA-N 2 2 317.477 3.131 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435616053 281198952 /nfs/dbraw/zinc/19/89/52/281198952.db2.gz KYZHCBXVHWAIAE-MRXNPFEDSA-N 2 2 317.477 3.131 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261630839 281200903 /nfs/dbraw/zinc/20/09/03/281200903.db2.gz FKEGCBMIGDPQJU-HNAYVOBHSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261630839 281200906 /nfs/dbraw/zinc/20/09/06/281200906.db2.gz FKEGCBMIGDPQJU-HNAYVOBHSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc2c1C[NH2+]CCN2Cc1c[nH+]c2cccc(C)n12 ZINC000415099495 281276114 /nfs/dbraw/zinc/27/61/14/281276114.db2.gz KVHHKVHXRNYMGR-UHFFFAOYSA-N 2 2 306.413 3.061 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000191542226 432275257 /nfs/dbraw/zinc/27/52/57/432275257.db2.gz RINLKUQUHWLWFP-LSDHHAIUSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Br ZINC000191542226 432275259 /nfs/dbraw/zinc/27/52/59/432275259.db2.gz RINLKUQUHWLWFP-LSDHHAIUSA-N 2 2 323.278 3.474 20 0 DGADLP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000191649018 432287812 /nfs/dbraw/zinc/28/78/12/432287812.db2.gz ZLBHPGNHXGSVFY-KBPBESRZSA-N 2 2 310.869 3.317 20 0 DGADLP C[C@@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000248438136 432291592 /nfs/dbraw/zinc/29/15/92/432291592.db2.gz BRTHICWGQFKQNZ-HZPDHXFCSA-N 2 2 321.465 3.278 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000248438136 432291595 /nfs/dbraw/zinc/29/15/95/432291595.db2.gz BRTHICWGQFKQNZ-HZPDHXFCSA-N 2 2 321.465 3.278 20 0 DGADLP Fc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000270930657 432303903 /nfs/dbraw/zinc/30/39/03/432303903.db2.gz WQHSUSVZPHJFMO-UHFFFAOYSA-N 2 2 310.376 3.293 20 0 DGADLP Fc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000270930657 432303907 /nfs/dbraw/zinc/30/39/07/432303907.db2.gz WQHSUSVZPHJFMO-UHFFFAOYSA-N 2 2 310.376 3.293 20 0 DGADLP Cc1cc[nH+]c(N2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1 ZINC000153062519 281460003 /nfs/dbraw/zinc/46/00/03/281460003.db2.gz GRFFITOSHZKUBW-UHFFFAOYSA-N 2 2 322.387 3.404 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000270619392 432266438 /nfs/dbraw/zinc/26/64/38/432266438.db2.gz CYEZUFAOZWCIEK-LJQANCHMSA-N 2 2 306.413 3.098 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000270619392 432266444 /nfs/dbraw/zinc/26/64/44/432266444.db2.gz CYEZUFAOZWCIEK-LJQANCHMSA-N 2 2 306.413 3.098 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCSc3ccccc32)C[C@@H](C)O1 ZINC000248062638 432266596 /nfs/dbraw/zinc/26/65/96/432266596.db2.gz YVJJHAJNTVOAJB-INMHGKMJSA-N 2 2 320.502 3.312 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000152264233 432319236 /nfs/dbraw/zinc/31/92/36/432319236.db2.gz MZIDGGRKWUIAPD-AWEZNQCLSA-N 2 2 318.465 3.332 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000152264233 432319241 /nfs/dbraw/zinc/31/92/41/432319241.db2.gz MZIDGGRKWUIAPD-AWEZNQCLSA-N 2 2 318.465 3.332 20 0 DGADLP CCOC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192026164 432325737 /nfs/dbraw/zinc/32/57/37/432325737.db2.gz DMCJAZSJDZHBPR-KRWDZBQOSA-N 2 2 313.445 3.429 20 0 DGADLP CCOC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192026164 432325740 /nfs/dbraw/zinc/32/57/40/432325740.db2.gz DMCJAZSJDZHBPR-KRWDZBQOSA-N 2 2 313.445 3.429 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000192036414 432327735 /nfs/dbraw/zinc/32/77/35/432327735.db2.gz ZJLWSTKNQPFNAZ-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000192036414 432327739 /nfs/dbraw/zinc/32/77/39/432327739.db2.gz ZJLWSTKNQPFNAZ-AWEZNQCLSA-N 2 2 308.853 3.266 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000249014847 432333963 /nfs/dbraw/zinc/33/39/63/432333963.db2.gz PJZFKTSDGGFTAF-VQIMIIECSA-N 2 2 314.477 3.227 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000249014847 432333965 /nfs/dbraw/zinc/33/39/65/432333965.db2.gz PJZFKTSDGGFTAF-VQIMIIECSA-N 2 2 314.477 3.227 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000271202841 432352101 /nfs/dbraw/zinc/35/21/01/432352101.db2.gz JDLVWFRFQSADIG-NVXWUHKLSA-N 2 2 315.486 3.328 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000271202841 432352104 /nfs/dbraw/zinc/35/21/04/432352104.db2.gz JDLVWFRFQSADIG-NVXWUHKLSA-N 2 2 315.486 3.328 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152771999 432353918 /nfs/dbraw/zinc/35/39/18/432353918.db2.gz IFRFITIJTWUKFX-HNNXBMFYSA-N 2 2 313.445 3.430 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270922534 432304059 /nfs/dbraw/zinc/30/40/59/432304059.db2.gz VMQGKYNYUGMIDD-SUMWQHHRSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270922534 432304064 /nfs/dbraw/zinc/30/40/64/432304064.db2.gz VMQGKYNYUGMIDD-SUMWQHHRSA-N 2 2 319.836 3.307 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839668 432308502 /nfs/dbraw/zinc/30/85/02/432308502.db2.gz WGCXBCRWSSLGEH-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000191839668 432308505 /nfs/dbraw/zinc/30/85/05/432308505.db2.gz WGCXBCRWSSLGEH-MOPGFXCFSA-N 2 2 304.478 3.302 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(F)cccc1Br ZINC000192453242 432376880 /nfs/dbraw/zinc/37/68/80/432376880.db2.gz DZTATXQKQCHEHU-UHFFFAOYSA-N 2 2 317.246 3.266 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192462380 432378786 /nfs/dbraw/zinc/37/87/86/432378786.db2.gz AYXOBGWMSVMYMZ-UHFFFAOYSA-N 2 2 320.452 3.452 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000153157097 432387957 /nfs/dbraw/zinc/38/79/57/432387957.db2.gz XGRNCFSLQCBPFB-VXGBXAGGSA-N 2 2 302.871 3.020 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000271494394 432407413 /nfs/dbraw/zinc/40/74/13/432407413.db2.gz LGYNNSXYQAHWOZ-YFPWBOGZSA-N 2 2 306.425 3.117 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000271494394 432407415 /nfs/dbraw/zinc/40/74/15/432407415.db2.gz LGYNNSXYQAHWOZ-YFPWBOGZSA-N 2 2 306.425 3.117 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271472391 432401677 /nfs/dbraw/zinc/40/16/77/432401677.db2.gz HPRUMVLBQWEHAN-WIYYLYMNSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271472391 432401679 /nfs/dbraw/zinc/40/16/79/432401679.db2.gz HPRUMVLBQWEHAN-WIYYLYMNSA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472386 432401992 /nfs/dbraw/zinc/40/19/92/432401992.db2.gz HPRUMVLBQWEHAN-RXVVDRJESA-N 3 2 323.484 3.433 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271472386 432401996 /nfs/dbraw/zinc/40/19/96/432401996.db2.gz HPRUMVLBQWEHAN-RXVVDRJESA-N 3 2 323.484 3.433 20 0 DGADLP Cc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192355289 432363094 /nfs/dbraw/zinc/36/30/94/432363094.db2.gz GPPTYPLMVBPJNK-NRFANRHFSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192355289 432363098 /nfs/dbraw/zinc/36/30/98/432363098.db2.gz GPPTYPLMVBPJNK-NRFANRHFSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192355283 432363990 /nfs/dbraw/zinc/36/39/90/432363990.db2.gz GPPTYPLMVBPJNK-OAQYLSRUSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192355283 432363994 /nfs/dbraw/zinc/36/39/94/432363994.db2.gz GPPTYPLMVBPJNK-OAQYLSRUSA-N 2 2 324.468 3.376 20 0 DGADLP CCOCC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000174734002 432366977 /nfs/dbraw/zinc/36/69/77/432366977.db2.gz TZAIGTITDDKWNE-UHFFFAOYSA-N 2 2 319.836 3.047 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272054379 432437372 /nfs/dbraw/zinc/43/73/72/432437372.db2.gz SFXUFMFTOXSKTN-CSMYWGQOSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272054379 432437375 /nfs/dbraw/zinc/43/73/75/432437375.db2.gz SFXUFMFTOXSKTN-CSMYWGQOSA-N 2 2 304.409 3.112 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000153739388 432437448 /nfs/dbraw/zinc/43/74/48/432437448.db2.gz XBMVMZIDQQAUQK-CYBMUJFWSA-N 2 2 313.511 3.194 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000153739388 432437452 /nfs/dbraw/zinc/43/74/52/432437452.db2.gz XBMVMZIDQQAUQK-CYBMUJFWSA-N 2 2 313.511 3.194 20 0 DGADLP CC[N@@H+](Cc1cccc(N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000261684529 432440060 /nfs/dbraw/zinc/44/00/60/432440060.db2.gz MDMPNFHBHNSWBA-UHFFFAOYSA-N 2 2 324.472 3.402 20 0 DGADLP CC[N@H+](Cc1cccc(N)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000261684529 432440064 /nfs/dbraw/zinc/44/00/64/432440064.db2.gz MDMPNFHBHNSWBA-UHFFFAOYSA-N 2 2 324.472 3.402 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702982 432442495 /nfs/dbraw/zinc/44/24/95/432442495.db2.gz LTRGMYXOPATYHE-UYAOXDASSA-N 2 2 323.440 3.037 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702982 432442498 /nfs/dbraw/zinc/44/24/98/432442498.db2.gz LTRGMYXOPATYHE-UYAOXDASSA-N 2 2 323.440 3.037 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702979 432442675 /nfs/dbraw/zinc/44/26/75/432442675.db2.gz LTRGMYXOPATYHE-AZUAARDMSA-N 2 2 323.440 3.037 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702979 432442678 /nfs/dbraw/zinc/44/26/78/432442678.db2.gz LTRGMYXOPATYHE-AZUAARDMSA-N 2 2 323.440 3.037 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261731656 432445144 /nfs/dbraw/zinc/44/51/44/432445144.db2.gz RFLRPRQLBOUMPE-BLLLJJGKSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261731656 432445148 /nfs/dbraw/zinc/44/51/48/432445148.db2.gz RFLRPRQLBOUMPE-BLLLJJGKSA-N 2 2 301.821 3.072 20 0 DGADLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000153889746 432453805 /nfs/dbraw/zinc/45/38/05/432453805.db2.gz LCYUVJHYGZCOSP-FQEVSTJZSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000153889746 432453807 /nfs/dbraw/zinc/45/38/07/432453807.db2.gz LCYUVJHYGZCOSP-FQEVSTJZSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000153889746 432453812 /nfs/dbraw/zinc/45/38/12/432453812.db2.gz LCYUVJHYGZCOSP-FQEVSTJZSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000153889746 432453817 /nfs/dbraw/zinc/45/38/17/432453817.db2.gz LCYUVJHYGZCOSP-FQEVSTJZSA-N 2 2 309.457 3.344 20 0 DGADLP Cc1ccc([C@H]([NH3+])c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC000261844174 432454668 /nfs/dbraw/zinc/45/46/68/432454668.db2.gz SEPIIKUMQHFCAD-KRWDZBQOSA-N 2 2 322.412 3.155 20 0 DGADLP O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271890940 432427555 /nfs/dbraw/zinc/42/75/55/432427555.db2.gz DSKDWNBGNGXPNI-IRXDYDNUSA-N 2 2 317.433 3.235 20 0 DGADLP O[C@@H](C[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271890940 432427559 /nfs/dbraw/zinc/42/75/59/432427559.db2.gz DSKDWNBGNGXPNI-IRXDYDNUSA-N 2 2 317.433 3.235 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000185190187 432475395 /nfs/dbraw/zinc/47/53/95/432475395.db2.gz CYZHNOWFOWILAF-NXHRZFHOSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000185190187 432475400 /nfs/dbraw/zinc/47/54/00/432475400.db2.gz CYZHNOWFOWILAF-NXHRZFHOSA-N 2 2 304.478 3.036 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315450 432489283 /nfs/dbraw/zinc/48/92/83/432489283.db2.gz XLGXKHASMONYAY-FRQCXROJSA-N 2 2 312.461 3.074 20 0 DGADLP CCn1cc([C@@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315450 432489285 /nfs/dbraw/zinc/48/92/85/432489285.db2.gz XLGXKHASMONYAY-FRQCXROJSA-N 2 2 312.461 3.074 20 0 DGADLP CC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000154512699 432503366 /nfs/dbraw/zinc/50/33/66/432503366.db2.gz UDEUDXMQCXDIMJ-QGZVFWFLSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272447442 432504307 /nfs/dbraw/zinc/50/43/07/432504307.db2.gz VHFXZNWBCQHFJD-FFGOWVMKSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272447442 432504314 /nfs/dbraw/zinc/50/43/14/432504314.db2.gz VHFXZNWBCQHFJD-FFGOWVMKSA-N 3 2 324.472 3.057 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000154623224 432511599 /nfs/dbraw/zinc/51/15/99/432511599.db2.gz NIVXKICPAQTGPN-NWDGAFQWSA-N 2 2 312.841 3.102 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000154642770 432511897 /nfs/dbraw/zinc/51/18/97/432511897.db2.gz FZLRCQBRGHKIFG-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCC ZINC000154642770 432511899 /nfs/dbraw/zinc/51/18/99/432511899.db2.gz FZLRCQBRGHKIFG-GDBMZVCRSA-N 2 2 306.450 3.229 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261952169 432463554 /nfs/dbraw/zinc/46/35/54/432463554.db2.gz NFIMKUHLOBEQIZ-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261952169 432463556 /nfs/dbraw/zinc/46/35/56/432463556.db2.gz NFIMKUHLOBEQIZ-CYBMUJFWSA-N 2 2 319.836 3.426 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[N@@H+]1C1CC1 ZINC000154035794 432466179 /nfs/dbraw/zinc/46/61/79/432466179.db2.gz NRJKSCUVBJQHNK-RYRKJORJSA-N 2 2 317.477 3.021 20 0 DGADLP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000154035794 432466182 /nfs/dbraw/zinc/46/61/82/432466182.db2.gz NRJKSCUVBJQHNK-RYRKJORJSA-N 2 2 317.477 3.021 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000193333125 432467085 /nfs/dbraw/zinc/46/70/85/432467085.db2.gz OXTCSTDIZMCEQI-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000193333125 432467089 /nfs/dbraw/zinc/46/70/89/432467089.db2.gz OXTCSTDIZMCEQI-QGZVFWFLSA-N 2 2 317.477 3.178 20 0 DGADLP Cc1ccc([C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N2CCCC2)o1 ZINC000154060064 432468095 /nfs/dbraw/zinc/46/80/95/432468095.db2.gz BKAHNLNLILPTRP-SFHVURJKSA-N 2 2 319.493 3.187 20 0 DGADLP Fc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262042234 432469882 /nfs/dbraw/zinc/46/98/82/432469882.db2.gz PICNYQQYFZTZGJ-QGZVFWFLSA-N 2 2 317.433 3.135 20 0 DGADLP Fc1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262042234 432469885 /nfs/dbraw/zinc/46/98/85/432469885.db2.gz PICNYQQYFZTZGJ-QGZVFWFLSA-N 2 2 317.433 3.135 20 0 DGADLP Cc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c(C)[nH+]1 ZINC000176749613 432550029 /nfs/dbraw/zinc/55/00/29/432550029.db2.gz MFOOVEOFWSWAGT-UHFFFAOYSA-N 2 2 316.449 3.227 20 0 DGADLP COc1cccc2c1CC[N@H+](Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC000194572114 432561568 /nfs/dbraw/zinc/56/15/68/432561568.db2.gz GZLIVPDOUYMSAJ-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1cccc2c1CC[N@@H+](Cc1c[nH+]c3ccc(C)cn13)CC2 ZINC000194572114 432561570 /nfs/dbraw/zinc/56/15/70/432561570.db2.gz GZLIVPDOUYMSAJ-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000155614982 432564171 /nfs/dbraw/zinc/56/41/71/432564171.db2.gz CKSJHARDLWROTA-QAPCUYQASA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000155614982 432564175 /nfs/dbraw/zinc/56/41/75/432564175.db2.gz CKSJHARDLWROTA-QAPCUYQASA-N 2 2 315.486 3.186 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1O ZINC000185680370 432523858 /nfs/dbraw/zinc/52/38/58/432523858.db2.gz GQXRVACUORWVLP-LIRRHRJNSA-N 2 2 314.429 3.182 20 0 DGADLP C[C@H]([NH2+]CCc1ccccc1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154976427 432532428 /nfs/dbraw/zinc/53/24/28/432532428.db2.gz OTIBOXOOGSMWON-HNNXBMFYSA-N 2 2 307.397 3.471 20 0 DGADLP c1[nH]c(C[NH2+]C2CC[NH+](CC3CC3)CC2)nc1-c1ccccc1 ZINC000194243287 432534443 /nfs/dbraw/zinc/53/44/43/432534443.db2.gz UFFVHYOIXJONGP-UHFFFAOYSA-N 2 2 310.445 3.041 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194293278 432538781 /nfs/dbraw/zinc/53/87/81/432538781.db2.gz GRYWDWHWJJWUIR-INIZCTEOSA-N 2 2 312.461 3.287 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194293278 432538787 /nfs/dbraw/zinc/53/87/87/432538787.db2.gz GRYWDWHWJJWUIR-INIZCTEOSA-N 2 2 312.461 3.287 20 0 DGADLP Cc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)c(C)[nH+]1 ZINC000301715120 281865465 /nfs/dbraw/zinc/86/54/65/281865465.db2.gz ZQYZHTLSLOAEFJ-SFHVURJKSA-N 2 2 316.493 3.494 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]CC(C)C)[nH+]c12 ZINC000273504305 432606630 /nfs/dbraw/zinc/60/66/30/432606630.db2.gz PTZZIVKGQGBMRV-UHFFFAOYSA-N 2 2 310.239 3.193 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000177347112 432614590 /nfs/dbraw/zinc/61/45/90/432614590.db2.gz CYZBXGHAUWNLMU-CVEARBPZSA-N 2 2 318.852 3.046 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000177347112 432614594 /nfs/dbraw/zinc/61/45/94/432614594.db2.gz CYZBXGHAUWNLMU-CVEARBPZSA-N 2 2 318.852 3.046 20 0 DGADLP COc1ccc(OC)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263713181 432568498 /nfs/dbraw/zinc/56/84/98/432568498.db2.gz NONSNIUOUDGCFS-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1ccc(OC)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263713181 432568500 /nfs/dbraw/zinc/56/85/00/432568500.db2.gz NONSNIUOUDGCFS-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP CC1CCN(c2ccc(CNc3[nH+]cnc4[nH]ccc43)c[nH+]2)CC1 ZINC000263759811 432574619 /nfs/dbraw/zinc/57/46/19/432574619.db2.gz HTYIHTVFSHRPMN-UHFFFAOYSA-N 2 2 322.416 3.201 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)cn1 ZINC000155841277 432577188 /nfs/dbraw/zinc/57/71/88/432577188.db2.gz XISJVPBACZDZQX-CQSZACIVSA-N 2 2 311.433 3.302 20 0 DGADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)[C@H]1CCOC1 ZINC000155896310 432580197 /nfs/dbraw/zinc/58/01/97/432580197.db2.gz ZOPQDUXAKQGLEK-JKSUJKDBSA-N 2 2 301.434 3.140 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(O)c1 ZINC000194845759 432580610 /nfs/dbraw/zinc/58/06/10/432580610.db2.gz IXJYQSNVFGCXQF-OAHLLOKOSA-N 2 2 307.397 3.488 20 0 DGADLP C[NH+](C)CCC1CC[NH+](Cc2noc(C3CCCCC3)n2)CC1 ZINC000156298996 432592748 /nfs/dbraw/zinc/59/27/48/432592748.db2.gz WUNZBDPULIMPPY-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP CCCc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000195028615 432595346 /nfs/dbraw/zinc/59/53/46/432595346.db2.gz FPZVYNJAYNQCSR-QGZVFWFLSA-N 2 2 316.489 3.324 20 0 DGADLP CCCc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000186909862 432636843 /nfs/dbraw/zinc/63/68/43/432636843.db2.gz GULXZORMSBRWJC-QGZVFWFLSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000274326902 432652634 /nfs/dbraw/zinc/65/26/34/432652634.db2.gz DZIMNZSVFNYLPP-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000274326902 432652636 /nfs/dbraw/zinc/65/26/36/432652636.db2.gz DZIMNZSVFNYLPP-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP Brc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217642250 432655978 /nfs/dbraw/zinc/65/59/78/432655978.db2.gz SICAMEMQZYAOAI-GJZGRUSLSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217642250 432655982 /nfs/dbraw/zinc/65/59/82/432655982.db2.gz SICAMEMQZYAOAI-GJZGRUSLSA-N 2 2 309.251 3.166 20 0 DGADLP C[N@@H+](Cc1cncc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274360339 432657131 /nfs/dbraw/zinc/65/71/31/432657131.db2.gz NGEQZWAZRBQARI-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1cncc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274360339 432657136 /nfs/dbraw/zinc/65/71/36/432657136.db2.gz NGEQZWAZRBQARI-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cncc(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274360339 432657137 /nfs/dbraw/zinc/65/71/37/432657137.db2.gz NGEQZWAZRBQARI-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cncc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274360339 432657143 /nfs/dbraw/zinc/65/71/43/432657143.db2.gz NGEQZWAZRBQARI-QGZVFWFLSA-N 2 2 313.420 3.175 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2ccccc2o1 ZINC000158987514 432664149 /nfs/dbraw/zinc/66/41/49/432664149.db2.gz BMXGAUVJELOTCD-RDJZCZTQSA-N 2 2 316.445 3.176 20 0 DGADLP CCn1nc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000274423383 432666249 /nfs/dbraw/zinc/66/62/49/432666249.db2.gz KSPVFVRDPWQFCP-UHFFFAOYSA-N 2 2 312.461 3.163 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC000265392457 432695111 /nfs/dbraw/zinc/69/51/11/432695111.db2.gz VDRLZPRLADDHRC-UHFFFAOYSA-N 2 2 320.400 3.164 20 0 DGADLP Cc1ccc2c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc(=O)oc2c1 ZINC000265459049 432701288 /nfs/dbraw/zinc/70/12/88/432701288.db2.gz FDARAWFFBRRNNB-UHFFFAOYSA-N 2 2 323.396 3.204 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc2ccccc12 ZINC000227067722 432710183 /nfs/dbraw/zinc/71/01/83/432710183.db2.gz HGFOMUGUMMCWBO-SMDDNHRTSA-N 2 2 303.837 3.366 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)nc2ccccc12 ZINC000227067722 432710187 /nfs/dbraw/zinc/71/01/87/432710187.db2.gz HGFOMUGUMMCWBO-SMDDNHRTSA-N 2 2 303.837 3.366 20 0 DGADLP COCCC[C@@H](C)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000178247862 432711594 /nfs/dbraw/zinc/71/15/94/432711594.db2.gz CNBCFEHTCPOFRR-VQIMIIECSA-N 2 2 320.477 3.237 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870411 432718189 /nfs/dbraw/zinc/71/81/89/432718189.db2.gz FMNFWVHENQPHCZ-KFKAGJAMSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870411 432718193 /nfs/dbraw/zinc/71/81/93/432718193.db2.gz FMNFWVHENQPHCZ-KFKAGJAMSA-N 2 2 324.472 3.287 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332454 432722904 /nfs/dbraw/zinc/72/29/04/432722904.db2.gz PWONNPFIWPWXEZ-AEFFLSMTSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332454 432722908 /nfs/dbraw/zinc/72/29/08/432722908.db2.gz PWONNPFIWPWXEZ-AEFFLSMTSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@H]1CCN(c2cc[nH+]cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000274948978 432723227 /nfs/dbraw/zinc/72/32/27/432723227.db2.gz UXHHEWNRQXLMAB-SMDDNHRTSA-N 2 2 321.222 3.128 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[N@H+](Cc2ccccc2)C1 ZINC000275285935 432724302 /nfs/dbraw/zinc/72/43/02/432724302.db2.gz UBBIZNDPFYIARM-BTHPGYMESA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[N@@H+](Cc2ccccc2)C1 ZINC000275285935 432724306 /nfs/dbraw/zinc/72/43/06/432724306.db2.gz UBBIZNDPFYIARM-BTHPGYMESA-N 2 2 316.489 3.038 20 0 DGADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c2ccccc21 ZINC000274475881 432671999 /nfs/dbraw/zinc/67/19/99/432671999.db2.gz WQTNNWGUQNAIME-INIZCTEOSA-N 2 2 314.477 3.266 20 0 DGADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccccc21 ZINC000274475881 432672002 /nfs/dbraw/zinc/67/20/02/432672002.db2.gz WQTNNWGUQNAIME-INIZCTEOSA-N 2 2 314.477 3.266 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Br ZINC000223030328 432674010 /nfs/dbraw/zinc/67/40/10/432674010.db2.gz PYDMCLHYAIQXQE-ABAIWWIYSA-N 2 2 320.234 3.311 20 0 DGADLP Fc1ccc([C@H](NCC[NH+]2CCCCCC2)c2[nH]cc[nH+]2)cc1 ZINC000187729534 432680334 /nfs/dbraw/zinc/68/03/34/432680334.db2.gz SXIXSMKYOZYKLP-KRWDZBQOSA-N 2 2 316.424 3.104 20 0 DGADLP CC(C)C[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+](C)C ZINC000187745092 432681692 /nfs/dbraw/zinc/68/16/92/432681692.db2.gz NZQVCHZIFZOEMR-IAGOWNOFSA-N 2 2 318.440 3.204 20 0 DGADLP Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265352190 432691925 /nfs/dbraw/zinc/69/19/25/432691925.db2.gz KPTKFKZHHJFZOE-AWEZNQCLSA-N 2 2 302.447 3.439 20 0 DGADLP CC(C)CCn1cccc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000236635756 432752985 /nfs/dbraw/zinc/75/29/85/432752985.db2.gz MFSAVMVYOVJXNV-ROUUACIJSA-N 2 2 321.509 3.123 20 0 DGADLP CC(C)CCOCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236746145 432762197 /nfs/dbraw/zinc/76/21/97/432762197.db2.gz CRPBJDRWKLPEQK-IBGZPJMESA-N 2 2 304.478 3.303 20 0 DGADLP CC(C)CCOCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236746145 432762200 /nfs/dbraw/zinc/76/22/00/432762200.db2.gz CRPBJDRWKLPEQK-IBGZPJMESA-N 2 2 304.478 3.303 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000236848682 432767575 /nfs/dbraw/zinc/76/75/75/432767575.db2.gz LFASPDSAIGFPBA-INIZCTEOSA-N 2 2 318.461 3.058 20 0 DGADLP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581804 432768035 /nfs/dbraw/zinc/76/80/35/432768035.db2.gz IEKQODQFONFXCL-YJBOKZPZSA-N 2 2 322.880 3.181 20 0 DGADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000266581804 432768041 /nfs/dbraw/zinc/76/80/41/432768041.db2.gz IEKQODQFONFXCL-YJBOKZPZSA-N 2 2 322.880 3.181 20 0 DGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178703175 432768214 /nfs/dbraw/zinc/76/82/14/432768214.db2.gz VSBHBHSGPDKPOS-JKSUJKDBSA-N 3 2 323.444 3.364 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000266616349 432770952 /nfs/dbraw/zinc/77/09/52/432770952.db2.gz YGSQUSNCCPSWGA-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000266616349 432770957 /nfs/dbraw/zinc/77/09/57/432770957.db2.gz YGSQUSNCCPSWGA-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741594 432772383 /nfs/dbraw/zinc/77/23/83/432772383.db2.gz RSPWDGXFZIDNTH-AAEUAGOBSA-N 2 2 314.351 3.473 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741594 432772387 /nfs/dbraw/zinc/77/23/87/432772387.db2.gz RSPWDGXFZIDNTH-AAEUAGOBSA-N 2 2 314.351 3.473 20 0 DGADLP C[NH2+]C[C@H](C)C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000237095072 432777447 /nfs/dbraw/zinc/77/74/47/432777447.db2.gz LBAZDXUSRLLBKI-LBPRGKRZSA-N 2 2 314.433 3.405 20 0 DGADLP CCc1ccc([C@@H](COC)[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000178801261 432778293 /nfs/dbraw/zinc/77/82/93/432778293.db2.gz OEKWFXNWCOZBFX-MRXNPFEDSA-N 2 2 308.466 3.382 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000189362723 432781204 /nfs/dbraw/zinc/78/12/04/432781204.db2.gz OSQXXPISLDFAOB-WDSOQIARSA-N 2 2 304.478 3.473 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000189362723 432781207 /nfs/dbraw/zinc/78/12/07/432781207.db2.gz OSQXXPISLDFAOB-WDSOQIARSA-N 2 2 304.478 3.473 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178434009 432734920 /nfs/dbraw/zinc/73/49/20/432734920.db2.gz OTZYUXMSLANIMS-YOEHRIQHSA-N 2 2 301.434 3.320 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000178442073 432736870 /nfs/dbraw/zinc/73/68/70/432736870.db2.gz NHJMLRUOZUIEFF-GOSISDBHSA-N 2 2 300.446 3.066 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000234310994 432741116 /nfs/dbraw/zinc/74/11/16/432741116.db2.gz KPFIXHSAEZWPNZ-AVVWSFFYSA-N 2 2 323.278 3.379 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000234310994 432741118 /nfs/dbraw/zinc/74/11/18/432741118.db2.gz KPFIXHSAEZWPNZ-AVVWSFFYSA-N 2 2 323.278 3.379 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000235153975 432742889 /nfs/dbraw/zinc/74/28/89/432742889.db2.gz PIBYWHFIUIHRPG-QWHCGFSZSA-N 2 2 322.250 3.255 20 0 DGADLP COc1cccc([C@H](CNc2cc[nH+]c3ccncc23)[NH+](C)C)c1 ZINC000267166839 432818898 /nfs/dbraw/zinc/81/88/98/432818898.db2.gz BEKRCXDWOWEYFE-IBGZPJMESA-N 2 2 322.412 3.353 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000276569190 432819967 /nfs/dbraw/zinc/81/99/67/432819967.db2.gz MXKPBJUDZIPGOZ-AWEZNQCLSA-N 2 2 311.389 3.016 20 0 DGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276569190 432819970 /nfs/dbraw/zinc/81/99/70/432819970.db2.gz MXKPBJUDZIPGOZ-AWEZNQCLSA-N 2 2 311.389 3.016 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000162439593 432823471 /nfs/dbraw/zinc/82/34/71/432823471.db2.gz WDLHWAQZYTWKDV-AWEZNQCLSA-N 2 2 324.440 3.370 20 0 DGADLP CCOc1ccccc1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266764088 432784587 /nfs/dbraw/zinc/78/45/87/432784587.db2.gz QSRISARQSWEGDL-UHFFFAOYSA-N 2 2 315.417 3.067 20 0 DGADLP c1cn(Cc2ccccc2)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000266800820 432788376 /nfs/dbraw/zinc/78/83/76/432788376.db2.gz YYJUWLHWAGGAQU-UHFFFAOYSA-N 2 2 321.428 3.034 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237737846 432798325 /nfs/dbraw/zinc/79/83/25/432798325.db2.gz HXXNVBJMHLKWGJ-GJZGRUSLSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237737846 432798334 /nfs/dbraw/zinc/79/83/34/432798334.db2.gz HXXNVBJMHLKWGJ-GJZGRUSLSA-N 2 2 314.351 3.302 20 0 DGADLP CC(C)OC1CC([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000189560664 432799301 /nfs/dbraw/zinc/79/93/01/432799301.db2.gz YDVQODZBMXAYQF-UHFFFAOYSA-N 2 2 301.434 3.052 20 0 DGADLP Cc1ccc(Cc2nc(-c3ccc(C[NH+](C)C)cc3)no2)c[nH+]1 ZINC000267100374 432813724 /nfs/dbraw/zinc/81/37/24/432813724.db2.gz VSMISXDVQKTWDM-UHFFFAOYSA-N 2 2 308.385 3.092 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000277728177 432872341 /nfs/dbraw/zinc/87/23/41/432872341.db2.gz NUTQJVURTFKRSX-ZDUSSCGKSA-N 2 2 313.367 3.018 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000277728177 432872343 /nfs/dbraw/zinc/87/23/43/432872343.db2.gz NUTQJVURTFKRSX-ZDUSSCGKSA-N 2 2 313.367 3.018 20 0 DGADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277846676 432878330 /nfs/dbraw/zinc/87/83/30/432878330.db2.gz MHLFEOYKNAKOOO-KRWDZBQOSA-N 2 2 320.477 3.064 20 0 DGADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277846676 432878332 /nfs/dbraw/zinc/87/83/32/432878332.db2.gz MHLFEOYKNAKOOO-KRWDZBQOSA-N 2 2 320.477 3.064 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000245623786 432850447 /nfs/dbraw/zinc/85/04/47/432850447.db2.gz PLQBHCKNNXKYBH-DUQPFJRNSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000245623786 432850450 /nfs/dbraw/zinc/85/04/50/432850450.db2.gz PLQBHCKNNXKYBH-DUQPFJRNSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000163442703 432851999 /nfs/dbraw/zinc/85/19/99/432851999.db2.gz NXLLATUUPYUCPI-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000163442703 432852002 /nfs/dbraw/zinc/85/20/02/432852002.db2.gz NXLLATUUPYUCPI-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[NH+]1CCCCC1 ZINC000245643097 432852701 /nfs/dbraw/zinc/85/27/01/432852701.db2.gz YBLPISAPECGHEE-GVDBMIGSSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163453683 432853170 /nfs/dbraw/zinc/85/31/70/432853170.db2.gz AUJZHAFBXCCIBY-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163453683 432853172 /nfs/dbraw/zinc/85/31/72/432853172.db2.gz AUJZHAFBXCCIBY-PWSUYJOCSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289253339 432938626 /nfs/dbraw/zinc/93/86/26/432938626.db2.gz BQHNFYAJSSIJRG-GUYCJALGSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCc1c[nH+]cn1C ZINC000289253339 432938629 /nfs/dbraw/zinc/93/86/29/432938629.db2.gz BQHNFYAJSSIJRG-GUYCJALGSA-N 2 2 319.836 3.078 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000289331739 432945800 /nfs/dbraw/zinc/94/58/00/432945800.db2.gz VANODQSAXNDAAI-UHFFFAOYSA-N 2 2 323.440 3.005 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000289353079 432949171 /nfs/dbraw/zinc/94/91/71/432949171.db2.gz XSOFUEFIXRSOLX-GOSISDBHSA-N 2 2 313.445 3.342 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000289354844 432949289 /nfs/dbraw/zinc/94/92/89/432949289.db2.gz XXPIYFMGCFFNAR-UHFFFAOYSA-N 2 2 310.445 3.108 20 0 DGADLP CCC(=O)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000289013287 432912506 /nfs/dbraw/zinc/91/25/06/432912506.db2.gz AFQXVFCUHLDSTJ-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP CCC(=O)CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000289013287 432912508 /nfs/dbraw/zinc/91/25/08/432912508.db2.gz AFQXVFCUHLDSTJ-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP CCC(=O)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289013287 432912510 /nfs/dbraw/zinc/91/25/10/432912510.db2.gz AFQXVFCUHLDSTJ-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP CCC(=O)CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289013287 432912512 /nfs/dbraw/zinc/91/25/12/432912512.db2.gz AFQXVFCUHLDSTJ-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP Cc1nc(C2([NH2+]CCCc3c[nH+]ccc3C)CCCC2)no1 ZINC000289044411 432915631 /nfs/dbraw/zinc/91/56/31/432915631.db2.gz AWFFLACXTLQADN-UHFFFAOYSA-N 2 2 300.406 3.073 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000289576888 432968611 /nfs/dbraw/zinc/96/86/11/432968611.db2.gz HBHXTSRMOWCUOJ-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000289576888 432968616 /nfs/dbraw/zinc/96/86/16/432968616.db2.gz HBHXTSRMOWCUOJ-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCc1c[nH+]cn1C ZINC000290048429 432984952 /nfs/dbraw/zinc/98/49/52/432984952.db2.gz OOTKACNZMHPTGG-LBPRGKRZSA-N 2 2 300.431 3.265 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290048429 432984954 /nfs/dbraw/zinc/98/49/54/432984954.db2.gz OOTKACNZMHPTGG-LBPRGKRZSA-N 2 2 300.431 3.265 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279624920 432989426 /nfs/dbraw/zinc/98/94/26/432989426.db2.gz BDWJCJVQEWQJOV-UHFFFAOYSA-N 2 2 309.417 3.213 20 0 DGADLP CCn1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)cn1 ZINC000279809904 432993360 /nfs/dbraw/zinc/99/33/60/432993360.db2.gz OJUGKJDAXGZROQ-UHFFFAOYSA-N 2 2 323.444 3.398 20 0 DGADLP c1cc(N2CCC(Nc3ccc(N4CCCC4)[nH+]c3)CC2)cc[nH+]1 ZINC000297598857 432998950 /nfs/dbraw/zinc/99/89/50/432998950.db2.gz JVHZUYQGRVWYEG-UHFFFAOYSA-N 2 2 323.444 3.158 20 0 DGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000290137956 432999756 /nfs/dbraw/zinc/99/97/56/432999756.db2.gz MGUUMGXJEKXONP-ZIAGYGMSSA-N 2 2 312.417 3.157 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808599 432961549 /nfs/dbraw/zinc/96/15/49/432961549.db2.gz NCPCRYFOYMPJNG-QWHCGFSZSA-N 2 2 320.462 3.343 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808599 432961553 /nfs/dbraw/zinc/96/15/53/432961553.db2.gz NCPCRYFOYMPJNG-QWHCGFSZSA-N 2 2 320.462 3.343 20 0 DGADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000290157288 433003292 /nfs/dbraw/zinc/00/32/92/433003292.db2.gz LPIIXDZMEUHCKR-LIRRHRJNSA-N 2 2 309.413 3.162 20 0 DGADLP Cc1c[nH+]c(CNc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)n1C ZINC000341295625 433019600 /nfs/dbraw/zinc/01/96/00/433019600.db2.gz YGBYSFDIVIVRBC-AWEZNQCLSA-N 2 2 313.449 3.423 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297757 433028845 /nfs/dbraw/zinc/02/88/45/433028845.db2.gz AYLHEDOCETXCNK-TZMCWYRMSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297757 433028847 /nfs/dbraw/zinc/02/88/47/433028847.db2.gz AYLHEDOCETXCNK-TZMCWYRMSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297757 433028851 /nfs/dbraw/zinc/02/88/51/433028851.db2.gz AYLHEDOCETXCNK-TZMCWYRMSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297757 433028853 /nfs/dbraw/zinc/02/88/53/433028853.db2.gz AYLHEDOCETXCNK-TZMCWYRMSA-N 2 2 305.447 3.175 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CCC([NH+]4CCCC4)CC3)n2c1 ZINC000349880088 433029518 /nfs/dbraw/zinc/02/95/18/433029518.db2.gz YYQNOSPBQCFPGO-UHFFFAOYSA-N 2 2 318.852 3.048 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000290326054 433032973 /nfs/dbraw/zinc/03/29/73/433032973.db2.gz JWXGFLNFRIOSPC-HOCLYGCPSA-N 2 2 304.459 3.486 20 0 DGADLP C=Cn1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000290350236 433036739 /nfs/dbraw/zinc/03/67/39/433036739.db2.gz FZKKLQOBOVQPRB-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP C=Cn1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000290350236 433036743 /nfs/dbraw/zinc/03/67/43/433036743.db2.gz FZKKLQOBOVQPRB-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP C[NH+](C)C1(CN[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000275587112 289061382 /nfs/dbraw/zinc/06/13/82/289061382.db2.gz CVMXBOPNDPLOMC-KRWDZBQOSA-N 2 2 312.461 3.353 20 0 DGADLP C[NH+](C)C1(CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CCCC1 ZINC000275704044 289061576 /nfs/dbraw/zinc/06/15/76/289061576.db2.gz LWNDTCJYJOJZNQ-INIZCTEOSA-N 2 2 316.424 3.102 20 0 DGADLP CC[NH+](CC)CC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000341448962 433062699 /nfs/dbraw/zinc/06/26/99/433062699.db2.gz FKEAVFKBNNRCRR-UHFFFAOYSA-N 2 2 302.466 3.221 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000290490559 433065291 /nfs/dbraw/zinc/06/52/91/433065291.db2.gz XTGCKRPFDAIQAW-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000290490559 433065298 /nfs/dbraw/zinc/06/52/98/433065298.db2.gz XTGCKRPFDAIQAW-QGZVFWFLSA-N 2 2 317.477 3.034 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)CO1 ZINC000361268733 433072640 /nfs/dbraw/zinc/07/26/40/433072640.db2.gz WYTJKIBMQVWADI-MJGOQNOKSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)CO1 ZINC000361268733 433072651 /nfs/dbraw/zinc/07/26/51/433072651.db2.gz WYTJKIBMQVWADI-MJGOQNOKSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341468329 433074170 /nfs/dbraw/zinc/07/41/70/433074170.db2.gz DURVYOPWULJVCP-UHFFFAOYSA-N 2 2 321.428 3.823 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000290536999 433088952 /nfs/dbraw/zinc/08/89/52/433088952.db2.gz YMUCTYCYQWVQKC-NYHFZMIOSA-N 2 2 316.470 3.411 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000373107215 433090323 /nfs/dbraw/zinc/09/03/23/433090323.db2.gz QQSWGYWXMZLVEW-GOSISDBHSA-N 2 2 313.445 3.206 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000373107215 433090330 /nfs/dbraw/zinc/09/03/30/433090330.db2.gz QQSWGYWXMZLVEW-GOSISDBHSA-N 2 2 313.445 3.206 20 0 DGADLP Cc1cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341491104 433090668 /nfs/dbraw/zinc/09/06/68/433090668.db2.gz CWXYMMDBWMNWDT-CRAIPNDOSA-N 2 2 322.456 3.910 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000446930752 433130936 /nfs/dbraw/zinc/13/09/36/433130936.db2.gz XRJCLLCIJJHBSE-POAQFYNOSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000446930752 433130945 /nfs/dbraw/zinc/13/09/45/433130945.db2.gz XRJCLLCIJJHBSE-POAQFYNOSA-N 2 2 316.489 3.443 20 0 DGADLP Cc1[nH+]ccc(NCc2ccc(N3CCCCC3)[nH+]c2)c1Cl ZINC000350312393 433133389 /nfs/dbraw/zinc/13/33/89/433133389.db2.gz QETBUZAANFNOJL-UHFFFAOYSA-N 2 2 316.836 3.463 20 0 DGADLP CC(C)c1nc(N2CC[NH2+]C[C@@](C)(F)C2)cc(C(C)(C)C)[nH+]1 ZINC000420256842 433137432 /nfs/dbraw/zinc/13/74/32/433137432.db2.gz DERYJUYCVOXYKL-QGZVFWFLSA-N 2 2 308.445 3.035 20 0 DGADLP CCCOc1cccc2c(N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc[nH+]c12 ZINC000420260851 433137509 /nfs/dbraw/zinc/13/75/09/433137509.db2.gz OLGZIKJDDYMEEO-CABCVRRESA-N 2 2 311.429 3.069 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000361383001 433139791 /nfs/dbraw/zinc/13/97/91/433139791.db2.gz YVKQXYKAEPETOV-WBVHZDCISA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000361383001 433139797 /nfs/dbraw/zinc/13/97/97/433139797.db2.gz YVKQXYKAEPETOV-WBVHZDCISA-N 2 2 315.461 3.218 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000453384081 433140490 /nfs/dbraw/zinc/14/04/90/433140490.db2.gz ZIEHMPSSUGRLLY-UZLBHIALSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cn1 ZINC000453384081 433140499 /nfs/dbraw/zinc/14/04/99/433140499.db2.gz ZIEHMPSSUGRLLY-UZLBHIALSA-N 2 2 324.472 3.094 20 0 DGADLP C[C@H]([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000420298143 433151267 /nfs/dbraw/zinc/15/12/67/433151267.db2.gz GVISWPUYLKHBGU-JTQLQIEISA-N 2 2 309.866 3.476 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000446825632 433107783 /nfs/dbraw/zinc/10/77/83/433107783.db2.gz KFOZBRQGDQKQPZ-APWZRJJASA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000446825632 433107795 /nfs/dbraw/zinc/10/77/95/433107795.db2.gz KFOZBRQGDQKQPZ-APWZRJJASA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)CCC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000361349941 433120106 /nfs/dbraw/zinc/12/01/06/433120106.db2.gz AFJWDEXXWPBLJA-PMACEKPBSA-N 2 2 317.521 3.389 20 0 DGADLP CC(C)CCC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000361349941 433120114 /nfs/dbraw/zinc/12/01/14/433120114.db2.gz AFJWDEXXWPBLJA-PMACEKPBSA-N 2 2 317.521 3.389 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000425369591 433208241 /nfs/dbraw/zinc/20/82/41/433208241.db2.gz MPSIPYOFELFGJP-UHFFFAOYSA-N 2 2 306.479 3.089 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000354568035 433155501 /nfs/dbraw/zinc/15/55/01/433155501.db2.gz KDDMATCQTIQUPC-KZNAEPCWSA-N 2 2 300.446 3.260 20 0 DGADLP Cc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000453403347 433158869 /nfs/dbraw/zinc/15/88/69/433158869.db2.gz AXQIEJONKXUXGQ-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000425323665 433163250 /nfs/dbraw/zinc/16/32/50/433163250.db2.gz JJRDQRJDRSGCQO-KRWDZBQOSA-N 2 2 312.461 3.083 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000425323665 433163258 /nfs/dbraw/zinc/16/32/58/433163258.db2.gz JJRDQRJDRSGCQO-KRWDZBQOSA-N 2 2 312.461 3.083 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000425323234 433164197 /nfs/dbraw/zinc/16/41/97/433164197.db2.gz KWBUAIKPWVJOAS-RMKNXTFCSA-N 2 2 324.472 3.295 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1C ZINC000425323230 433164627 /nfs/dbraw/zinc/16/46/27/433164627.db2.gz IQYVWHUQPKSNSP-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)n1C ZINC000425323230 433164634 /nfs/dbraw/zinc/16/46/34/433164634.db2.gz IQYVWHUQPKSNSP-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324874 433167510 /nfs/dbraw/zinc/16/75/10/433167510.db2.gz VNHNWYWGHCFEIS-QWRGUYRKSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000420324874 433167514 /nfs/dbraw/zinc/16/75/14/433167514.db2.gz VNHNWYWGHCFEIS-QWRGUYRKSA-N 2 2 323.412 3.257 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)n1C ZINC000425328480 433167958 /nfs/dbraw/zinc/16/79/58/433167958.db2.gz RMMXHYDHFZWQDM-KRWDZBQOSA-N 2 2 312.461 3.083 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)[C@@H](C[NH3+])C1 ZINC000420338001 433169405 /nfs/dbraw/zinc/16/94/05/433169405.db2.gz NHYRABJXNUDTJN-DOTOQJQBSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)[C@@H](C[NH3+])C1 ZINC000420338001 433169414 /nfs/dbraw/zinc/16/94/14/433169414.db2.gz NHYRABJXNUDTJN-DOTOQJQBSA-N 2 2 311.429 3.433 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](CNc1cc[nH+]c3ccc(C)cc13)CCC2 ZINC000354598658 433171499 /nfs/dbraw/zinc/17/14/99/433171499.db2.gz IDRNUXBJYIKISK-HNNXBMFYSA-N 2 2 306.413 3.460 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000420361577 433178165 /nfs/dbraw/zinc/17/81/65/433178165.db2.gz HZUJBHZQZGBIBW-BFVZDQMLSA-N 2 2 315.230 3.064 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)n1C ZINC000425341853 433180908 /nfs/dbraw/zinc/18/09/08/433180908.db2.gz FAOHCTMCHHMRPD-QGZVFWFLSA-N 2 2 312.461 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](c3ccccc3)C2(C)C)n1C ZINC000425341853 433180915 /nfs/dbraw/zinc/18/09/15/433180915.db2.gz FAOHCTMCHHMRPD-QGZVFWFLSA-N 2 2 312.461 3.254 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000420365976 433182623 /nfs/dbraw/zinc/18/26/23/433182623.db2.gz QPLNQFUEIQUWHR-HNNXBMFYSA-N 2 2 321.371 3.098 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1C ZINC000420371345 433182666 /nfs/dbraw/zinc/18/26/66/433182666.db2.gz PIKIWAQKQAVKFL-SGJUXQJHSA-N 2 2 302.462 3.291 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420374397 433187042 /nfs/dbraw/zinc/18/70/42/433187042.db2.gz RWEWJSPXHCGAKY-WMLDXEAASA-N 2 2 317.477 3.116 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000420374579 433188096 /nfs/dbraw/zinc/18/80/96/433188096.db2.gz ODJCACODDLFKJH-SNVBAGLBSA-N 2 2 303.269 3.257 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000420374579 433188116 /nfs/dbraw/zinc/18/81/16/433188116.db2.gz ODJCACODDLFKJH-SNVBAGLBSA-N 2 2 303.269 3.257 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000420377769 433188290 /nfs/dbraw/zinc/18/82/90/433188290.db2.gz WOZXFXDQJRJZRF-KRWDZBQOSA-N 2 2 317.408 3.478 20 0 DGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1F ZINC000420390884 433193202 /nfs/dbraw/zinc/19/32/02/433193202.db2.gz RNBWHCDNCZDDIT-IVMMDQJWSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1F ZINC000420390884 433193208 /nfs/dbraw/zinc/19/32/08/433193208.db2.gz RNBWHCDNCZDDIT-IVMMDQJWSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1c1ccccc1F ZINC000420390275 433193473 /nfs/dbraw/zinc/19/34/73/433193473.db2.gz PZHOBUDLRMLTLZ-PKOBYXMFSA-N 2 2 316.395 3.324 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1c1ccccc1F ZINC000420390275 433193483 /nfs/dbraw/zinc/19/34/83/433193483.db2.gz PZHOBUDLRMLTLZ-PKOBYXMFSA-N 2 2 316.395 3.324 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640791 433194525 /nfs/dbraw/zinc/19/45/25/433194525.db2.gz XSFQGKXYVIXMGV-JXFKEZNVSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000354640791 433194534 /nfs/dbraw/zinc/19/45/34/433194534.db2.gz XSFQGKXYVIXMGV-JXFKEZNVSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420399457 433198234 /nfs/dbraw/zinc/19/82/34/433198234.db2.gz HWEUPCSTHYDTJE-JYJNAYRXSA-N 2 2 317.477 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420399457 433198239 /nfs/dbraw/zinc/19/82/39/433198239.db2.gz HWEUPCSTHYDTJE-JYJNAYRXSA-N 2 2 317.477 3.054 20 0 DGADLP C[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000420420631 433201764 /nfs/dbraw/zinc/20/17/64/433201764.db2.gz YBKNDTRBLDCYNC-WCQYABFASA-N 2 2 321.371 3.037 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000420420631 433201773 /nfs/dbraw/zinc/20/17/73/433201773.db2.gz YBKNDTRBLDCYNC-WCQYABFASA-N 2 2 321.371 3.037 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)n1C ZINC000425376376 433213171 /nfs/dbraw/zinc/21/31/71/433213171.db2.gz XNORTBADHKTIMI-QGZVFWFLSA-N 2 2 312.461 3.459 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)n1C ZINC000425376376 433213179 /nfs/dbraw/zinc/21/31/79/433213179.db2.gz XNORTBADHKTIMI-QGZVFWFLSA-N 2 2 312.461 3.459 20 0 DGADLP Cc1cccc(CN(CC[NH+](C)C)Cc2c[nH+]cn2C(C)C)c1 ZINC000425383915 433219652 /nfs/dbraw/zinc/21/96/52/433219652.db2.gz PPXAXUJPSPFBPT-UHFFFAOYSA-N 2 2 314.477 3.336 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000453596407 433223097 /nfs/dbraw/zinc/22/30/97/433223097.db2.gz AQHOXDWUHISLCL-GOSISDBHSA-N 2 2 304.478 3.490 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)nc1 ZINC000453609028 433232952 /nfs/dbraw/zinc/23/29/52/433232952.db2.gz ZJYCVGLSOBCKFD-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)nc1 ZINC000453609028 433232962 /nfs/dbraw/zinc/23/29/62/433232962.db2.gz ZJYCVGLSOBCKFD-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447599633 433239447 /nfs/dbraw/zinc/23/94/47/433239447.db2.gz KFUOJUXMNZBLHW-MAUKXSAKSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447599633 433239459 /nfs/dbraw/zinc/23/94/59/433239459.db2.gz KFUOJUXMNZBLHW-MAUKXSAKSA-N 2 2 300.446 3.289 20 0 DGADLP CCc1nc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000341736623 433242362 /nfs/dbraw/zinc/24/23/62/433242362.db2.gz XEGUVDTUVIQPSB-XHSDSOJGSA-N 2 2 302.466 3.189 20 0 DGADLP CCc1nc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000341736623 433242367 /nfs/dbraw/zinc/24/23/67/433242367.db2.gz XEGUVDTUVIQPSB-XHSDSOJGSA-N 2 2 302.466 3.189 20 0 DGADLP Cc1[nH+]ccn1CCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000337796510 433261196 /nfs/dbraw/zinc/26/11/96/433261196.db2.gz GIMNFNGEYJWPPH-UHFFFAOYSA-N 2 2 301.438 3.731 20 0 DGADLP Cc1cc(CNC(=O)NCCC[NH+](C(C)C)C(C)C)cc(C)[nH+]1 ZINC000420800975 433262121 /nfs/dbraw/zinc/26/21/21/433262121.db2.gz DGBMRERTPOUPET-UHFFFAOYSA-N 2 2 320.481 3.007 20 0 DGADLP O[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)[N@H+](Cc2ccccc2)C1 ZINC000361587800 433263903 /nfs/dbraw/zinc/26/39/03/433263903.db2.gz WWWZCTRRPKVJGG-UXHICEINSA-N 2 2 316.489 3.182 20 0 DGADLP O[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)[N@@H+](Cc2ccccc2)C1 ZINC000361587800 433263916 /nfs/dbraw/zinc/26/39/16/433263916.db2.gz WWWZCTRRPKVJGG-UXHICEINSA-N 2 2 316.489 3.182 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595224 433273822 /nfs/dbraw/zinc/27/38/22/433273822.db2.gz TZYKDAMOEWUWTJ-PKOBYXMFSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595224 433273826 /nfs/dbraw/zinc/27/38/26/433273826.db2.gz TZYKDAMOEWUWTJ-PKOBYXMFSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595224 433273834 /nfs/dbraw/zinc/27/38/34/433273834.db2.gz TZYKDAMOEWUWTJ-PKOBYXMFSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@@H]2C1 ZINC000361595224 433273840 /nfs/dbraw/zinc/27/38/40/433273840.db2.gz TZYKDAMOEWUWTJ-PKOBYXMFSA-N 2 2 300.446 3.001 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C)C[C@H]3C)c2cc1C ZINC000425522094 433279534 /nfs/dbraw/zinc/27/95/34/433279534.db2.gz LXKWNQGYVHVWKA-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C)C[C@H]3C)c2cc1C ZINC000425522094 433279545 /nfs/dbraw/zinc/27/95/45/433279545.db2.gz LXKWNQGYVHVWKA-KBRIMQKVSA-N 2 2 315.461 3.134 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000447820410 433288498 /nfs/dbraw/zinc/28/84/98/433288498.db2.gz GPHVDOLDHDAMBQ-FQEVSTJZSA-N 2 2 324.472 3.156 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000447820410 433288506 /nfs/dbraw/zinc/28/85/06/433288506.db2.gz GPHVDOLDHDAMBQ-FQEVSTJZSA-N 2 2 324.472 3.156 20 0 DGADLP C[C@H](C1CCC1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912178 433353780 /nfs/dbraw/zinc/35/37/80/433353780.db2.gz WDRVGECRKNKONU-YLJYHZDGSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H](C1CCC1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341912178 433353794 /nfs/dbraw/zinc/35/37/94/433353794.db2.gz WDRVGECRKNKONU-YLJYHZDGSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H](C1CCC1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341912178 433353800 /nfs/dbraw/zinc/35/38/00/433353800.db2.gz WDRVGECRKNKONU-YLJYHZDGSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H](C1CCC1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341912178 433353808 /nfs/dbraw/zinc/35/38/08/433353808.db2.gz WDRVGECRKNKONU-YLJYHZDGSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1nc(CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cs1 ZINC000375085688 433354891 /nfs/dbraw/zinc/35/48/91/433354891.db2.gz UFUYPHGMHPNLPA-UHFFFAOYSA-N 2 2 317.458 3.241 20 0 DGADLP c1cc(C[N@H+]2CC[C@H](CC3CC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000420973328 433363362 /nfs/dbraw/zinc/36/33/62/433363362.db2.gz MYXBZTVDLDQOHU-HXUWFJFHSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[N@@H+]2CC[C@H](CC3CC3)C2)cc(C[NH+]2CCOCC2)c1 ZINC000420973328 433363371 /nfs/dbraw/zinc/36/33/71/433363371.db2.gz MYXBZTVDLDQOHU-HXUWFJFHSA-N 2 2 314.473 3.141 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066132 433372279 /nfs/dbraw/zinc/37/22/79/433372279.db2.gz PGLVTSZJEHFQPA-SJLPKXTDSA-N 2 2 320.477 3.011 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000414066132 433372283 /nfs/dbraw/zinc/37/22/83/433372283.db2.gz PGLVTSZJEHFQPA-SJLPKXTDSA-N 2 2 320.477 3.011 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000414073604 433376972 /nfs/dbraw/zinc/37/69/72/433376972.db2.gz WBNSFQMUPBTCOA-CVEARBPZSA-N 2 2 319.493 3.334 20 0 DGADLP CC(C)(C)c1cnc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000447938378 433329274 /nfs/dbraw/zinc/32/92/74/433329274.db2.gz ZZTVKHOVVCLNOI-UHFFFAOYSA-N 2 2 307.507 3.405 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc3c(c1)COC3)CCC2 ZINC000361664334 433329967 /nfs/dbraw/zinc/32/99/67/433329967.db2.gz KYXAIZRDPJVKSS-HOCLYGCPSA-N 2 2 311.429 3.450 20 0 DGADLP C[N@H+](CC1CCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341876870 433330280 /nfs/dbraw/zinc/33/02/80/433330280.db2.gz POBDSBYNFGCFGS-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@@H+](CC1CCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341876870 433330291 /nfs/dbraw/zinc/33/02/91/433330291.db2.gz POBDSBYNFGCFGS-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CC1CCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341876870 433330302 /nfs/dbraw/zinc/33/03/02/433330302.db2.gz POBDSBYNFGCFGS-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CC1CCC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341876870 433330312 /nfs/dbraw/zinc/33/03/12/433330312.db2.gz POBDSBYNFGCFGS-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000341873883 433332622 /nfs/dbraw/zinc/33/26/22/433332622.db2.gz HSLNGNZFTUIFHQ-APWZRJJASA-N 2 2 316.445 3.176 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339074489 433339902 /nfs/dbraw/zinc/33/99/02/433339902.db2.gz LXZYUWMREJJQLP-SMOSDQRPSA-N 2 2 314.473 3.227 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339074489 433339911 /nfs/dbraw/zinc/33/99/11/433339911.db2.gz LXZYUWMREJJQLP-SMOSDQRPSA-N 2 2 314.473 3.227 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154732 433428205 /nfs/dbraw/zinc/42/82/05/433428205.db2.gz WNWFUHKCVFWLFZ-NVXWUHKLSA-N 2 2 320.477 3.186 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154732 433428214 /nfs/dbraw/zinc/42/82/14/433428214.db2.gz WNWFUHKCVFWLFZ-NVXWUHKLSA-N 2 2 320.477 3.186 20 0 DGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154734 433430196 /nfs/dbraw/zinc/43/01/96/433430196.db2.gz WNWFUHKCVFWLFZ-WBVHZDCISA-N 2 2 320.477 3.186 20 0 DGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426154734 433430207 /nfs/dbraw/zinc/43/02/07/433430207.db2.gz WNWFUHKCVFWLFZ-WBVHZDCISA-N 2 2 320.477 3.186 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000361865894 433431016 /nfs/dbraw/zinc/43/10/16/433431016.db2.gz REZUKBZJSCDNPA-UHFFFAOYSA-N 2 2 311.429 3.326 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOCC12CCCC2 ZINC000361865894 433431021 /nfs/dbraw/zinc/43/10/21/433431021.db2.gz REZUKBZJSCDNPA-UHFFFAOYSA-N 2 2 311.429 3.326 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CCN(C)c2[nH+]cccc21 ZINC000361863264 433431154 /nfs/dbraw/zinc/43/11/54/433431154.db2.gz UWNSYRPYMPLENN-UHFFFAOYSA-N 2 2 319.412 3.032 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1)C[NH+](C)C ZINC000425935796 433379708 /nfs/dbraw/zinc/37/97/08/433379708.db2.gz JWAPAXHFCFIARJ-KSSFIOAISA-N 2 2 301.409 3.097 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)C[NH+](C)C ZINC000425942328 433381890 /nfs/dbraw/zinc/38/18/90/433381890.db2.gz FHHSUORHHUMNBS-MNOVXSKESA-N 2 2 304.356 3.275 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc2n(n1)CCC2 ZINC000414088093 433386916 /nfs/dbraw/zinc/38/69/16/433386916.db2.gz BQENRZRELUEAHJ-OAHLLOKOSA-N 2 2 316.493 3.277 20 0 DGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)oc2c1 ZINC000426018036 433405247 /nfs/dbraw/zinc/40/52/47/433405247.db2.gz FAZPOKVHNQBQKL-JKSUJKDBSA-N 2 2 316.445 3.360 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000421047401 433406032 /nfs/dbraw/zinc/40/60/32/433406032.db2.gz YBKUNUIUGPJVEO-MRXNPFEDSA-N 2 2 318.461 3.153 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000421047401 433406049 /nfs/dbraw/zinc/40/60/49/433406049.db2.gz YBKUNUIUGPJVEO-MRXNPFEDSA-N 2 2 318.461 3.153 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000421047401 433406061 /nfs/dbraw/zinc/40/60/61/433406061.db2.gz YBKUNUIUGPJVEO-MRXNPFEDSA-N 2 2 318.461 3.153 20 0 DGADLP COc1ccc2c(c1)OC(C)(C)C[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000421047401 433406068 /nfs/dbraw/zinc/40/60/68/433406068.db2.gz YBKUNUIUGPJVEO-MRXNPFEDSA-N 2 2 318.461 3.153 20 0 DGADLP CCCC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361827397 433410050 /nfs/dbraw/zinc/41/00/50/433410050.db2.gz HSCCPNJMBKMPFT-UHFFFAOYSA-N 2 2 301.434 3.429 20 0 DGADLP CCCC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361827397 433410056 /nfs/dbraw/zinc/41/00/56/433410056.db2.gz HSCCPNJMBKMPFT-UHFFFAOYSA-N 2 2 301.434 3.429 20 0 DGADLP Cc1cccc(N2CC[NH+](CCCCNc3cccc[nH+]3)CC2)c1 ZINC000301087054 433410829 /nfs/dbraw/zinc/41/08/29/433410829.db2.gz IEOHQBNUAXMFLK-UHFFFAOYSA-N 2 2 324.472 3.404 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000361834521 433414615 /nfs/dbraw/zinc/41/46/15/433414615.db2.gz UMOZBYPTVLBBCA-UHFFFAOYSA-N 2 2 311.429 3.326 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000361834521 433414625 /nfs/dbraw/zinc/41/46/25/433414625.db2.gz UMOZBYPTVLBBCA-UHFFFAOYSA-N 2 2 311.429 3.326 20 0 DGADLP C[C@H]1CC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)C1 ZINC000361891317 433439908 /nfs/dbraw/zinc/43/99/08/433439908.db2.gz WTVMDUXLNDDVQB-HZPDHXFCSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)nn1C ZINC000281959418 433445813 /nfs/dbraw/zinc/44/58/13/433445813.db2.gz AXUMEKAMMYRHTF-DOTOQJQBSA-N 2 2 314.477 3.290 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)nn1C ZINC000281959418 433445814 /nfs/dbraw/zinc/44/58/14/433445814.db2.gz AXUMEKAMMYRHTF-DOTOQJQBSA-N 2 2 314.477 3.290 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC000414200157 433457779 /nfs/dbraw/zinc/45/77/79/433457779.db2.gz AWDYUPRDEBYQDQ-QAPCUYQASA-N 2 2 304.482 3.036 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423042208 290030144 /nfs/dbraw/zinc/03/01/44/290030144.db2.gz KNRCSRXHSVMAHQ-IQGAEYHTSA-N 3 2 313.489 3.374 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042208 290030147 /nfs/dbraw/zinc/03/01/47/290030147.db2.gz KNRCSRXHSVMAHQ-IQGAEYHTSA-N 3 2 313.489 3.374 20 0 DGADLP CCCc1csc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000426365586 433472876 /nfs/dbraw/zinc/47/28/76/433472876.db2.gz MUICQNJKYQMTFC-CQSZACIVSA-N 2 2 318.490 3.284 20 0 DGADLP CCCc1csc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000426365586 433472887 /nfs/dbraw/zinc/47/28/87/433472887.db2.gz MUICQNJKYQMTFC-CQSZACIVSA-N 2 2 318.490 3.284 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCCc3ccccc32)CCSC1 ZINC000361969337 433476857 /nfs/dbraw/zinc/47/68/57/433476857.db2.gz BAUAGQASUXPMIA-ROUUACIJSA-N 2 2 304.503 3.481 20 0 DGADLP CC[N@H+](CC1CCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342119801 433480468 /nfs/dbraw/zinc/48/04/68/433480468.db2.gz CTXYZQIHEAKSOD-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CC[N@@H+](CC1CCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342119801 433480479 /nfs/dbraw/zinc/48/04/79/433480479.db2.gz CTXYZQIHEAKSOD-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CC1CCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342119801 433480490 /nfs/dbraw/zinc/48/04/90/433480490.db2.gz CTXYZQIHEAKSOD-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CC1CCC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342119801 433480498 /nfs/dbraw/zinc/48/04/98/433480498.db2.gz CTXYZQIHEAKSOD-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000351470687 433515821 /nfs/dbraw/zinc/51/58/21/433515821.db2.gz FFOHIQRJVLKSBU-CYBMUJFWSA-N 2 2 323.190 3.090 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000351470687 433515832 /nfs/dbraw/zinc/51/58/32/433515832.db2.gz FFOHIQRJVLKSBU-CYBMUJFWSA-N 2 2 323.190 3.090 20 0 DGADLP Cc1cc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301359096 433520786 /nfs/dbraw/zinc/52/07/86/433520786.db2.gz LOHQGWYULNZZIE-WMZOPIPTSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1cc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301359096 433520794 /nfs/dbraw/zinc/52/07/94/433520794.db2.gz LOHQGWYULNZZIE-WMZOPIPTSA-N 2 2 310.445 3.274 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414300381 433525689 /nfs/dbraw/zinc/52/56/89/433525689.db2.gz SBVBPALSEYBTDP-NQYYFHDYSA-N 2 2 304.478 3.207 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H](O)C(C)C ZINC000414300381 433525693 /nfs/dbraw/zinc/52/56/93/433525693.db2.gz SBVBPALSEYBTDP-NQYYFHDYSA-N 2 2 304.478 3.207 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)sc2C1 ZINC000355209037 433535861 /nfs/dbraw/zinc/53/58/61/433535861.db2.gz QCLNSXJYHZWSGZ-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)sc2C1 ZINC000355209037 433535867 /nfs/dbraw/zinc/53/58/67/433535867.db2.gz QCLNSXJYHZWSGZ-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)sc2C1 ZINC000355209037 433535874 /nfs/dbraw/zinc/53/58/74/433535874.db2.gz QCLNSXJYHZWSGZ-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)sc2C1 ZINC000355209037 433535882 /nfs/dbraw/zinc/53/58/82/433535882.db2.gz QCLNSXJYHZWSGZ-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP Clc1ccc2[nH+]ccc(N3CC[NH+](CC4CC4)CC3)c2c1 ZINC000301279942 433486259 /nfs/dbraw/zinc/48/62/59/433486259.db2.gz MATIJSCHKXNGJD-UHFFFAOYSA-N 2 2 301.821 3.420 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000426415044 433489331 /nfs/dbraw/zinc/48/93/31/433489331.db2.gz CNFHZANFSGUJCX-AWEZNQCLSA-N 2 2 316.474 3.425 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000426415044 433489344 /nfs/dbraw/zinc/48/93/44/433489344.db2.gz CNFHZANFSGUJCX-AWEZNQCLSA-N 2 2 316.474 3.425 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000342157252 433506328 /nfs/dbraw/zinc/50/63/28/433506328.db2.gz FTLAUTGIXRMZNA-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000342157252 433506341 /nfs/dbraw/zinc/50/63/41/433506341.db2.gz FTLAUTGIXRMZNA-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000342157252 433506349 /nfs/dbraw/zinc/50/63/49/433506349.db2.gz FTLAUTGIXRMZNA-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000342157252 433506359 /nfs/dbraw/zinc/50/63/59/433506359.db2.gz FTLAUTGIXRMZNA-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000375615386 433509559 /nfs/dbraw/zinc/50/95/59/433509559.db2.gz WPKXRXKBCQYWRJ-SJLPKXTDSA-N 2 2 305.466 3.363 20 0 DGADLP C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000375615386 433509563 /nfs/dbraw/zinc/50/95/63/433509563.db2.gz WPKXRXKBCQYWRJ-SJLPKXTDSA-N 2 2 305.466 3.363 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000301427616 433549930 /nfs/dbraw/zinc/54/99/30/433549930.db2.gz PLZJCFJQWKEIHB-CZUORRHYSA-N 2 2 302.447 3.342 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000301427616 433549939 /nfs/dbraw/zinc/54/99/39/433549939.db2.gz PLZJCFJQWKEIHB-CZUORRHYSA-N 2 2 302.447 3.342 20 0 DGADLP COc1ccccc1[C@H](CNc1nc(C)[nH+]c(C)c1C)[NH+](C)C ZINC000301429189 433551025 /nfs/dbraw/zinc/55/10/25/433551025.db2.gz FOTHHAUWVUFRJL-INIZCTEOSA-N 2 2 314.433 3.125 20 0 DGADLP CC(C)C[C@H]([NH3+])c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000339391251 433554723 /nfs/dbraw/zinc/55/47/23/433554723.db2.gz ACJMTAKDJFTABF-KBPBESRZSA-N 2 2 322.840 3.420 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538428 433557841 /nfs/dbraw/zinc/55/78/41/433557841.db2.gz RBZYTWRUSCTLTP-FZKQIMNGSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538428 433557848 /nfs/dbraw/zinc/55/78/48/433557848.db2.gz RBZYTWRUSCTLTP-FZKQIMNGSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351538428 433557852 /nfs/dbraw/zinc/55/78/52/433557852.db2.gz RBZYTWRUSCTLTP-FZKQIMNGSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538428 433557860 /nfs/dbraw/zinc/55/78/60/433557860.db2.gz RBZYTWRUSCTLTP-FZKQIMNGSA-N 2 2 322.880 3.321 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1C ZINC000414355531 433563562 /nfs/dbraw/zinc/56/35/62/433563562.db2.gz AFKSTTUAMGJOSP-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP CCSc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351546648 433565608 /nfs/dbraw/zinc/56/56/08/433565608.db2.gz SFRFPQPRPJVKNV-UHFFFAOYSA-N 2 2 324.453 4.051 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)c2cccc(Cl)c2)n1C ZINC000414360509 433567126 /nfs/dbraw/zinc/56/71/26/433567126.db2.gz QSEUWRKIVUAXFS-UHFFFAOYSA-N 2 2 306.841 3.164 20 0 DGADLP Cc1cccc2[nH+]cc(CNc3[nH+]ccn3-c3ccccc3)n21 ZINC000351565113 433579324 /nfs/dbraw/zinc/57/93/24/433579324.db2.gz BFBDSSWGCUCKNZ-UHFFFAOYSA-N 2 2 303.369 3.441 20 0 DGADLP CCc1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414376875 433583428 /nfs/dbraw/zinc/58/34/28/433583428.db2.gz AEMVSCHOWQJEGH-UHFFFAOYSA-N 2 2 324.472 3.135 20 0 DGADLP CCc1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414376875 433583435 /nfs/dbraw/zinc/58/34/35/433583435.db2.gz AEMVSCHOWQJEGH-UHFFFAOYSA-N 2 2 324.472 3.135 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1SC ZINC000339440459 433584184 /nfs/dbraw/zinc/58/41/84/433584184.db2.gz YJBOQDWBWOXUKS-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1SC ZINC000339440459 433584204 /nfs/dbraw/zinc/58/42/04/433584204.db2.gz YJBOQDWBWOXUKS-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1SC ZINC000339440459 433584210 /nfs/dbraw/zinc/58/42/10/433584210.db2.gz YJBOQDWBWOXUKS-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1SC ZINC000339440459 433584220 /nfs/dbraw/zinc/58/42/20/433584220.db2.gz YJBOQDWBWOXUKS-GOSISDBHSA-N 2 2 320.502 3.335 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000282373394 433585996 /nfs/dbraw/zinc/58/59/96/433585996.db2.gz IOJJCTAEXBGLQF-MRXNPFEDSA-N 2 2 307.388 3.438 20 0 DGADLP C[C@@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@@H]1C ZINC000162981382 292861745 /nfs/dbraw/zinc/86/17/45/292861745.db2.gz LOZNIPAYNCBEDK-IOASZLSFSA-N 2 2 322.416 3.447 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000282401122 433598186 /nfs/dbraw/zinc/59/81/86/433598186.db2.gz XWGTXDVZSSTCTB-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282401122 433598196 /nfs/dbraw/zinc/59/81/96/433598196.db2.gz XWGTXDVZSSTCTB-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c[nH+]1 ZINC000356511997 433598373 /nfs/dbraw/zinc/59/83/73/433598373.db2.gz YHDMDRPUMUAQMP-INIZCTEOSA-N 2 2 304.825 3.120 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c[nH+]1 ZINC000356511997 433598376 /nfs/dbraw/zinc/59/83/76/433598376.db2.gz YHDMDRPUMUAQMP-INIZCTEOSA-N 2 2 304.825 3.120 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ncc[nH]1 ZINC000375896590 433604744 /nfs/dbraw/zinc/60/47/44/433604744.db2.gz YGPGSEQGTQEHHC-JCHJZTRSSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ncc[nH]1 ZINC000375896590 433604753 /nfs/dbraw/zinc/60/47/53/433604753.db2.gz YGPGSEQGTQEHHC-JCHJZTRSSA-N 2 2 324.472 3.361 20 0 DGADLP CC(C)Cc1ccc([C@@H](C[NH2+]CC2(C)COC2)[NH+](C)C)cc1 ZINC000342309093 433608761 /nfs/dbraw/zinc/60/87/61/433608761.db2.gz SYFQEAKMTIFDNQ-GOSISDBHSA-N 2 2 304.478 3.114 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000375907602 433610394 /nfs/dbraw/zinc/61/03/94/433610394.db2.gz YLOIBXQCFCMYBI-MRXNPFEDSA-N 2 2 316.376 3.273 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000375907602 433610404 /nfs/dbraw/zinc/61/04/04/433610404.db2.gz YLOIBXQCFCMYBI-MRXNPFEDSA-N 2 2 316.376 3.273 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccsc1Br ZINC000282444754 433611309 /nfs/dbraw/zinc/61/13/09/433611309.db2.gz NJWWOYVRPXLCEX-JFGNBEQYSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccsc1Br ZINC000282444754 433611321 /nfs/dbraw/zinc/61/13/21/433611321.db2.gz NJWWOYVRPXLCEX-JFGNBEQYSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@H]1C[NH+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C[C@H](C)O1 ZINC000301554186 433611982 /nfs/dbraw/zinc/61/19/82/433611982.db2.gz IAEKQZQPVDHEFF-GJZGRUSLSA-N 2 2 320.481 3.075 20 0 DGADLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)n1 ZINC000282650440 433621566 /nfs/dbraw/zinc/62/15/66/433621566.db2.gz CIHYHBADMJITCO-LLVKDONJSA-N 2 2 311.216 3.491 20 0 DGADLP Clc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)n1 ZINC000282650440 433621574 /nfs/dbraw/zinc/62/15/74/433621574.db2.gz CIHYHBADMJITCO-LLVKDONJSA-N 2 2 311.216 3.491 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cnn(C(C)C)c1)CCC2 ZINC000366210683 292924065 /nfs/dbraw/zinc/92/40/65/292924065.db2.gz PGRPXBUSHCTCQP-GJZGRUSLSA-N 2 2 301.438 3.197 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427117519 433654749 /nfs/dbraw/zinc/65/47/49/433654749.db2.gz MPOUDJHDJMVZSR-MJGOQNOKSA-N 2 2 311.404 3.072 20 0 DGADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427117519 433654757 /nfs/dbraw/zinc/65/47/57/433654757.db2.gz MPOUDJHDJMVZSR-MJGOQNOKSA-N 2 2 311.404 3.072 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427124552 433655901 /nfs/dbraw/zinc/65/59/01/433655901.db2.gz STGINCOCUQMIDU-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427124552 433655910 /nfs/dbraw/zinc/65/59/10/433655910.db2.gz STGINCOCUQMIDU-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP COc1cc(CC[NH2+]Cc2cccc3[nH+]ccn32)ccc1Cl ZINC000339574971 433661130 /nfs/dbraw/zinc/66/11/30/433661130.db2.gz WMLNJPSDELJOGR-UHFFFAOYSA-N 2 2 315.804 3.329 20 0 DGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000362375373 433666211 /nfs/dbraw/zinc/66/62/11/433666211.db2.gz DXHQZTLYKDPQBQ-UHFFFAOYSA-N 2 2 315.461 3.142 20 0 DGADLP Cc1csc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000376152412 433677437 /nfs/dbraw/zinc/67/74/37/433677437.db2.gz ZESCIEFIYDMEMC-GOSISDBHSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1csc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000376152412 433677445 /nfs/dbraw/zinc/67/74/45/433677445.db2.gz ZESCIEFIYDMEMC-GOSISDBHSA-N 2 2 315.486 3.453 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)OCC2CC2)n1-c1ccccc1 ZINC000414513947 433678987 /nfs/dbraw/zinc/67/89/87/433678987.db2.gz HLWNJLDEMVFFFE-UHFFFAOYSA-N 2 2 313.445 3.476 20 0 DGADLP C[NH+](C)C[C@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)C1 ZINC000301707708 433687023 /nfs/dbraw/zinc/68/70/23/433687023.db2.gz CHGMFVLFRCBRBG-CQSZACIVSA-N 2 2 318.509 3.460 20 0 DGADLP c1csc([C@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+]2CCCC2)c1 ZINC000367259926 293044857 /nfs/dbraw/zinc/04/48/57/293044857.db2.gz LCHGLYPIIWMUOW-RDJZCZTQSA-N 2 2 320.502 3.434 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000367327853 293055266 /nfs/dbraw/zinc/05/52/66/293055266.db2.gz UUCOULGQHKUOSO-HXUWFJFHSA-N 2 2 310.441 3.136 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000449032648 433693812 /nfs/dbraw/zinc/69/38/12/433693812.db2.gz XQNBZVOGGRXOFO-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000449032648 433693818 /nfs/dbraw/zinc/69/38/18/433693818.db2.gz XQNBZVOGGRXOFO-HNNXBMFYSA-N 2 2 306.425 3.142 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)n1-c1ccccc1 ZINC000367682886 293089697 /nfs/dbraw/zinc/08/96/97/293089697.db2.gz HMLIZWNKOPGTHH-OXJNMPFZSA-N 2 2 324.472 3.239 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000449045797 433702971 /nfs/dbraw/zinc/70/29/71/433702971.db2.gz JDQNNCUYNSQTMZ-MAUKXSAKSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000449045797 433702978 /nfs/dbraw/zinc/70/29/78/433702978.db2.gz JDQNNCUYNSQTMZ-MAUKXSAKSA-N 2 2 313.449 3.278 20 0 DGADLP c1ccc(NCCCC[NH2+]C2CCC3(CCCO3)CC2)[nH+]c1 ZINC000370059912 293152562 /nfs/dbraw/zinc/15/25/62/293152562.db2.gz MCNZWIKJTXOMEY-UHFFFAOYSA-N 2 2 303.450 3.355 20 0 DGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000370268523 293167335 /nfs/dbraw/zinc/16/73/35/293167335.db2.gz YUPXZZMVPKORRA-AWEZNQCLSA-N 2 2 305.470 3.048 20 0 DGADLP CCn1nc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c2ccccc21 ZINC000370372671 293170991 /nfs/dbraw/zinc/17/09/91/293170991.db2.gz CBWVLLFFZFWGNF-HNNXBMFYSA-N 2 2 323.444 3.228 20 0 DGADLP Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)[nH+]c2ccccc12 ZINC000301753845 433707658 /nfs/dbraw/zinc/70/76/58/433707658.db2.gz CEWDBMCXIZITTI-HNNXBMFYSA-N 2 2 323.400 3.054 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nccc(C)n1 ZINC000339659907 433709744 /nfs/dbraw/zinc/70/97/44/433709744.db2.gz COOSAFLONOFOBV-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nccc(C)n1 ZINC000339659907 433709750 /nfs/dbraw/zinc/70/97/50/433709750.db2.gz COOSAFLONOFOBV-MRXNPFEDSA-N 2 2 321.428 3.108 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373389809 293268847 /nfs/dbraw/zinc/26/88/47/293268847.db2.gz AIRRBHXEHZNQGG-FHWLQOOXSA-N 2 2 309.542 3.161 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373389809 293268851 /nfs/dbraw/zinc/26/88/51/293268851.db2.gz AIRRBHXEHZNQGG-FHWLQOOXSA-N 2 2 309.542 3.161 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373562271 293290909 /nfs/dbraw/zinc/29/09/09/293290909.db2.gz TVSSVSIWJDCKJV-IEBWSBKVSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000373562271 293290911 /nfs/dbraw/zinc/29/09/11/293290911.db2.gz TVSSVSIWJDCKJV-IEBWSBKVSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000373852342 293323668 /nfs/dbraw/zinc/32/36/68/293323668.db2.gz AOKNNKVUQCJCJE-IAGOWNOFSA-N 2 2 318.509 3.300 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000449070070 433726637 /nfs/dbraw/zinc/72/66/37/433726637.db2.gz IXXFOYZLDQNAQT-CQSZACIVSA-N 2 2 310.363 3.308 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853538 433756279 /nfs/dbraw/zinc/75/62/79/433756279.db2.gz ORLAKGFBYOQQRK-LOWVWBTDSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853538 433756284 /nfs/dbraw/zinc/75/62/84/433756284.db2.gz ORLAKGFBYOQQRK-LOWVWBTDSA-N 2 2 320.824 3.120 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000428361006 433758357 /nfs/dbraw/zinc/75/83/57/433758357.db2.gz DCLXMUYESKARJT-UKRRQHHQSA-N 2 2 302.422 3.386 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000428361006 433758367 /nfs/dbraw/zinc/75/83/67/433758367.db2.gz DCLXMUYESKARJT-UKRRQHHQSA-N 2 2 302.422 3.386 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449630616 433759978 /nfs/dbraw/zinc/75/99/78/433759978.db2.gz NJAIWBWMFCTILR-SAKMYQHLSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449630616 433759985 /nfs/dbraw/zinc/75/99/85/433759985.db2.gz NJAIWBWMFCTILR-SAKMYQHLSA-N 2 2 302.462 3.225 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC4(CCC4)C3)CC2)cc1 ZINC000351872514 433762467 /nfs/dbraw/zinc/76/24/67/433762467.db2.gz DGPSIHZEVURWGE-UHFFFAOYSA-N 2 2 313.489 3.075 20 0 DGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC4(CCC4)C3)CC2)cc1 ZINC000351872514 433762478 /nfs/dbraw/zinc/76/24/78/433762478.db2.gz DGPSIHZEVURWGE-UHFFFAOYSA-N 2 2 313.489 3.075 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429714735 433778671 /nfs/dbraw/zinc/77/86/71/433778671.db2.gz HGKBSYWVNLFMBC-NSHGMRRFSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429714735 433778684 /nfs/dbraw/zinc/77/86/84/433778684.db2.gz HGKBSYWVNLFMBC-NSHGMRRFSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714735 433778695 /nfs/dbraw/zinc/77/86/95/433778695.db2.gz HGKBSYWVNLFMBC-NSHGMRRFSA-N 2 2 316.489 3.255 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429714735 433778706 /nfs/dbraw/zinc/77/87/06/433778706.db2.gz HGKBSYWVNLFMBC-NSHGMRRFSA-N 2 2 316.489 3.255 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000376578648 433779760 /nfs/dbraw/zinc/77/97/60/433779760.db2.gz CLUNTVIPWNHUBD-OAHLLOKOSA-N 2 2 315.421 3.069 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000376578648 433779770 /nfs/dbraw/zinc/77/97/70/433779770.db2.gz CLUNTVIPWNHUBD-OAHLLOKOSA-N 2 2 315.421 3.069 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000430092751 433785726 /nfs/dbraw/zinc/78/57/26/433785726.db2.gz BBVHYQWHRNGMNE-NXHRZFHOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092751 433785731 /nfs/dbraw/zinc/78/57/31/433785731.db2.gz BBVHYQWHRNGMNE-NXHRZFHOSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000376602737 433786703 /nfs/dbraw/zinc/78/67/03/433786703.db2.gz RRXRGIXVYFGUGI-MRXNPFEDSA-N 2 2 310.401 3.007 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000376602737 433786712 /nfs/dbraw/zinc/78/67/12/433786712.db2.gz RRXRGIXVYFGUGI-MRXNPFEDSA-N 2 2 310.401 3.007 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000351946420 433811644 /nfs/dbraw/zinc/81/16/44/433811644.db2.gz BOVLLIFBKATZTC-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000351946420 433811651 /nfs/dbraw/zinc/81/16/51/433811651.db2.gz BOVLLIFBKATZTC-MJGOQNOKSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1cc(NCC2([NH+]3CCSCC3)CCCC2)nc(C)[nH+]1 ZINC000302049764 433812150 /nfs/dbraw/zinc/81/21/50/433812150.db2.gz NDWORPSSOCTHCY-UHFFFAOYSA-N 2 2 320.506 3.121 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343563534 433813433 /nfs/dbraw/zinc/81/34/33/433813433.db2.gz ZPXXSUCKHJMVPG-SFHVURJKSA-N 2 2 322.880 3.106 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343563534 433813441 /nfs/dbraw/zinc/81/34/41/433813441.db2.gz ZPXXSUCKHJMVPG-SFHVURJKSA-N 2 2 322.880 3.106 20 0 DGADLP C[N@H+](CC[NH2+]C(C)(C)C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414753484 433815862 /nfs/dbraw/zinc/81/58/62/433815862.db2.gz DSXVXGZWLVJNAZ-IAGOWNOFSA-N 2 2 308.441 3.366 20 0 DGADLP C[N@@H+](CC[NH2+]C(C)(C)C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414753484 433815868 /nfs/dbraw/zinc/81/58/68/433815868.db2.gz DSXVXGZWLVJNAZ-IAGOWNOFSA-N 2 2 308.441 3.366 20 0 DGADLP Oc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000351959299 433817839 /nfs/dbraw/zinc/81/78/39/433817839.db2.gz OOJPELHAPZDYEV-UHFFFAOYSA-N 2 2 305.381 3.136 20 0 DGADLP Oc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000351959299 433817845 /nfs/dbraw/zinc/81/78/45/433817845.db2.gz OOJPELHAPZDYEV-UHFFFAOYSA-N 2 2 305.381 3.136 20 0 DGADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414759034 433819629 /nfs/dbraw/zinc/81/96/29/433819629.db2.gz WARREUQOIKPDBN-INIZCTEOSA-N 2 2 314.477 3.197 20 0 DGADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414759034 433819636 /nfs/dbraw/zinc/81/96/36/433819636.db2.gz WARREUQOIKPDBN-INIZCTEOSA-N 2 2 314.477 3.197 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000414839336 433873247 /nfs/dbraw/zinc/87/32/47/433873247.db2.gz WALOELVAZWJEIS-HNNXBMFYSA-N 2 2 310.319 3.375 20 0 DGADLP CC[NH2+]CC[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414841278 433876825 /nfs/dbraw/zinc/87/68/25/433876825.db2.gz HNPFHQBKLXAODF-TWGQIWQCSA-N 2 2 310.441 3.478 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)[C@H](C[NH3+])C1 ZINC000414773556 433825581 /nfs/dbraw/zinc/82/55/81/433825581.db2.gz XDESRNRKRMKSMP-JSGCOSHPSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)[C@H](C[NH3+])C1 ZINC000414773556 433825592 /nfs/dbraw/zinc/82/55/92/433825592.db2.gz XDESRNRKRMKSMP-JSGCOSHPSA-N 2 2 303.837 3.447 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000351979567 433831300 /nfs/dbraw/zinc/83/13/00/433831300.db2.gz RZIHKVZMUSTGRD-KVVHSQDJSA-N 2 2 302.462 3.310 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000351979567 433831308 /nfs/dbraw/zinc/83/13/08/433831308.db2.gz RZIHKVZMUSTGRD-KVVHSQDJSA-N 2 2 302.462 3.310 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866737 433834889 /nfs/dbraw/zinc/83/48/89/433834889.db2.gz LIPBKLILJFBXPV-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866737 433834896 /nfs/dbraw/zinc/83/48/96/433834896.db2.gz LIPBKLILJFBXPV-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866737 433834901 /nfs/dbraw/zinc/83/49/01/433834901.db2.gz LIPBKLILJFBXPV-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000339866737 433834908 /nfs/dbraw/zinc/83/49/08/433834908.db2.gz LIPBKLILJFBXPV-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)[NH3+] ZINC000414803139 433844436 /nfs/dbraw/zinc/84/44/36/433844436.db2.gz LOTDJSBICHINMQ-UHFFFAOYSA-N 2 2 320.868 3.029 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414813926 433854004 /nfs/dbraw/zinc/85/40/04/433854004.db2.gz NBZNPDQRCHRMNS-LLVKDONJSA-N 2 2 303.219 3.195 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C)C[NH+](C)C ZINC000293754477 433855058 /nfs/dbraw/zinc/85/50/58/433855058.db2.gz ROIUZYFVNQFUTA-VXGBXAGGSA-N 2 2 308.857 3.075 20 0 DGADLP CCCn1nc(C)c(C[NH2+]CC[NH2+]C2CCCCCC2)c1C ZINC000414816665 433858300 /nfs/dbraw/zinc/85/83/00/433858300.db2.gz XQJGVQLRDQNZGL-UHFFFAOYSA-N 2 2 306.498 3.312 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000414819250 433859486 /nfs/dbraw/zinc/85/94/86/433859486.db2.gz YFZPXVZWXRPONC-CYBMUJFWSA-N 2 2 314.857 3.354 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000344329436 433862912 /nfs/dbraw/zinc/86/29/12/433862912.db2.gz MZVQTYQTICVWOS-VBNZEHGJSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000344329436 433862915 /nfs/dbraw/zinc/86/29/15/433862915.db2.gz MZVQTYQTICVWOS-VBNZEHGJSA-N 2 2 308.853 3.484 20 0 DGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000456849051 433863051 /nfs/dbraw/zinc/86/30/51/433863051.db2.gz VJXPFWWVMSUMQZ-GOSISDBHSA-N 2 2 315.461 3.112 20 0 DGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c[nH+]1 ZINC000456849051 433863058 /nfs/dbraw/zinc/86/30/58/433863058.db2.gz VJXPFWWVMSUMQZ-GOSISDBHSA-N 2 2 315.461 3.112 20 0 DGADLP C[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000414835530 433872148 /nfs/dbraw/zinc/87/21/48/433872148.db2.gz UZZXXYZYQBPPKE-UHFFFAOYSA-N 2 2 304.821 3.228 20 0 DGADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@H]1CC[NH2+]C1 ZINC000414882337 433898224 /nfs/dbraw/zinc/89/82/24/433898224.db2.gz MDAOBUSYXNVKKP-OCTSTCLRSA-N 2 2 308.425 3.230 20 0 DGADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+][C@H]1CC[NH2+]C1 ZINC000414882339 433900033 /nfs/dbraw/zinc/90/00/33/433900033.db2.gz MDAOBUSYXNVKKP-QTWIXLPOSA-N 2 2 308.425 3.230 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C/C=C/c2ccccc2)cc1 ZINC000414888366 433906034 /nfs/dbraw/zinc/90/60/34/433906034.db2.gz RHMAPOHVTOCQPI-LZMPDKMXSA-N 2 2 322.452 3.444 20 0 DGADLP Fc1ccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414908056 433907947 /nfs/dbraw/zinc/90/79/47/433907947.db2.gz NSKBWJWYBUYAPI-CQSZACIVSA-N 2 2 305.422 3.181 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000414899784 433909633 /nfs/dbraw/zinc/90/96/33/433909633.db2.gz VGTLIGUNTCUVGC-ROUUACIJSA-N 2 2 320.358 3.339 20 0 DGADLP c1cc(-c2n[nH]cc2C[NH2+]CCc2cn3ccccc3[nH+]2)cs1 ZINC000436237428 433912089 /nfs/dbraw/zinc/91/20/89/433912089.db2.gz IFRNYSXVKBLKGQ-UHFFFAOYSA-N 2 2 323.425 3.118 20 0 DGADLP C[C@]1(C[NH2+]Cc2csc(-c3cccs3)n2)CCC[NH2+]C1 ZINC000414913371 433914472 /nfs/dbraw/zinc/91/44/72/433914472.db2.gz WPOMLRUSBTWGAB-HNNXBMFYSA-N 2 2 307.488 3.351 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414921828 433916409 /nfs/dbraw/zinc/91/64/09/433916409.db2.gz BVNRCURXGYRRKR-INIZCTEOSA-N 2 2 301.409 3.242 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414953506 433935726 /nfs/dbraw/zinc/93/57/26/433935726.db2.gz LZOSBQPNVPGVFC-MAUKXSAKSA-N 2 2 320.440 3.256 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccs2)cc1F ZINC000414943611 433929833 /nfs/dbraw/zinc/92/98/33/433929833.db2.gz FPCZILBKJRGDQN-BBRMVZONSA-N 2 2 308.397 3.262 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C[NH3+] ZINC000422626232 433930520 /nfs/dbraw/zinc/93/05/20/433930520.db2.gz DLFZMRGCFYVQLJ-YRGRVCCFSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C[NH3+] ZINC000422626232 433930527 /nfs/dbraw/zinc/93/05/27/433930527.db2.gz DLFZMRGCFYVQLJ-YRGRVCCFSA-N 2 2 305.447 3.208 20 0 DGADLP CC(C)c1nc(NCC[N@@H+]2CCCOCC2)cc(C(C)(C)C)[nH+]1 ZINC000302830447 433878949 /nfs/dbraw/zinc/87/89/49/433878949.db2.gz KLJHIAQOCLNKBB-UHFFFAOYSA-N 2 2 320.481 3.032 20 0 DGADLP CC(C)c1nc(NCC[N@H+]2CCCOCC2)cc(C(C)(C)C)[nH+]1 ZINC000302830447 433878958 /nfs/dbraw/zinc/87/89/58/433878958.db2.gz KLJHIAQOCLNKBB-UHFFFAOYSA-N 2 2 320.481 3.032 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000414840562 433879401 /nfs/dbraw/zinc/87/94/01/433879401.db2.gz XGOMBAVBWWXZBH-AWEZNQCLSA-N 2 2 310.319 3.217 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000344730178 433881612 /nfs/dbraw/zinc/88/16/12/433881612.db2.gz NKFDFWKGVZGXPS-UMGGQSCQSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000344730178 433881618 /nfs/dbraw/zinc/88/16/18/433881618.db2.gz NKFDFWKGVZGXPS-UMGGQSCQSA-N 2 2 316.489 3.302 20 0 DGADLP Fc1ccccc1COc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414859108 433887846 /nfs/dbraw/zinc/88/78/46/433887846.db2.gz ANFLQOSYVNBPFJ-KRWDZBQOSA-N 2 2 314.404 3.246 20 0 DGADLP Cc1ccn2cc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)nc2c1 ZINC000422711473 433943714 /nfs/dbraw/zinc/94/37/14/433943714.db2.gz GZSXXZCDLKNZGZ-PKOBYXMFSA-N 2 2 320.440 3.226 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726817 433948593 /nfs/dbraw/zinc/94/85/93/433948593.db2.gz GAILOALACROPKN-FRQCXROJSA-N 3 2 317.521 3.175 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000422726817 433948600 /nfs/dbraw/zinc/94/86/00/433948600.db2.gz GAILOALACROPKN-FRQCXROJSA-N 3 2 317.521 3.175 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442046 433948697 /nfs/dbraw/zinc/94/86/97/433948697.db2.gz FSJAWJPWGGKZMI-XLIONFOSSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285442046 433948706 /nfs/dbraw/zinc/94/87/06/433948706.db2.gz FSJAWJPWGGKZMI-XLIONFOSSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285442046 433948715 /nfs/dbraw/zinc/94/87/15/433948715.db2.gz FSJAWJPWGGKZMI-XLIONFOSSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285442046 433948721 /nfs/dbraw/zinc/94/87/21/433948721.db2.gz FSJAWJPWGGKZMI-XLIONFOSSA-N 2 2 322.456 3.136 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000422720054 433951049 /nfs/dbraw/zinc/95/10/49/433951049.db2.gz RYZVFQYTOPPMNZ-JFIYKMOQSA-N 2 2 304.478 3.099 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162138 433951338 /nfs/dbraw/zinc/95/13/38/433951338.db2.gz DULBOJIMXVPUKH-RTBURBONSA-N 3 2 303.494 3.143 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162138 433951344 /nfs/dbraw/zinc/95/13/44/433951344.db2.gz DULBOJIMXVPUKH-RTBURBONSA-N 3 2 303.494 3.143 20 0 DGADLP COc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725255 433952615 /nfs/dbraw/zinc/95/26/15/433952615.db2.gz AZRLKGSLFXLVSA-RHSMWYFYSA-N 2 2 318.461 3.247 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)sc2C1 ZINC000345846106 433953710 /nfs/dbraw/zinc/95/37/10/433953710.db2.gz IUBOEIHKZIAWHN-CHWSQXEVSA-N 2 2 316.474 3.132 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414982212 433953913 /nfs/dbraw/zinc/95/39/13/433953913.db2.gz RVUUEAIIUJRVIG-KRWDZBQOSA-N 2 2 312.461 3.052 20 0 DGADLP CC[C@H](C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1)[NH+]1CCCC1 ZINC000340172232 433955060 /nfs/dbraw/zinc/95/50/60/433955060.db2.gz GNAMHKRUAASEIC-MSOLQXFVSA-N 2 2 318.461 3.388 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422728386 433955232 /nfs/dbraw/zinc/95/52/32/433955232.db2.gz GBTGNTGDRATZDO-KXBFYZLASA-N 2 2 312.461 3.228 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)N(C)C)cc1 ZINC000422728123 433956808 /nfs/dbraw/zinc/95/68/08/433956808.db2.gz FDDQZSYKDVQXDE-KUHUBIRLSA-N 2 2 312.461 3.010 20 0 DGADLP CCc1ccc([C@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000422728123 433956812 /nfs/dbraw/zinc/95/68/12/433956812.db2.gz FDDQZSYKDVQXDE-KUHUBIRLSA-N 2 2 312.461 3.010 20 0 DGADLP Cc1[nH+]ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1Cl ZINC000357342893 433960614 /nfs/dbraw/zinc/96/06/14/433960614.db2.gz YLRAGBHRYPZFGH-UHFFFAOYSA-N 2 2 317.820 3.071 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340177124 433960619 /nfs/dbraw/zinc/96/06/19/433960619.db2.gz LLTLKUYPDCGSOR-RTBURBONSA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340177124 433960628 /nfs/dbraw/zinc/96/06/28/433960628.db2.gz LLTLKUYPDCGSOR-RTBURBONSA-N 2 2 324.472 3.073 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414990849 433961833 /nfs/dbraw/zinc/96/18/33/433961833.db2.gz RYOOMYMXCWNPPJ-QMMMGPOBSA-N 2 2 314.273 3.422 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000340183243 433963872 /nfs/dbraw/zinc/96/38/72/433963872.db2.gz YLLKMYFOXPYMIF-PKOBYXMFSA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000340183243 433963879 /nfs/dbraw/zinc/96/38/79/433963879.db2.gz YLLKMYFOXPYMIF-PKOBYXMFSA-N 2 2 320.440 3.259 20 0 DGADLP COc1ccc([C@H]([NH2+]CCc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422741401 433965081 /nfs/dbraw/zinc/96/50/81/433965081.db2.gz DKOKDTJMRVAKOP-UXHICEINSA-N 2 2 310.441 3.321 20 0 DGADLP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000422744849 433966555 /nfs/dbraw/zinc/96/65/55/433966555.db2.gz KXZLZNOXBKYNMB-KEYYUXOJSA-N 2 2 310.869 3.394 20 0 DGADLP Cc1ccc(C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740197 433967019 /nfs/dbraw/zinc/96/70/19/433967019.db2.gz BAAZSOZKHLOMOF-QRFRQXIXSA-N 2 2 309.457 3.404 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C[NH3+])C3CCCC3)s2)o1 ZINC000415063501 433973396 /nfs/dbraw/zinc/97/33/96/433973396.db2.gz IIQQZXRNTDJDTJ-AWEZNQCLSA-N 2 2 305.447 3.319 20 0 DGADLP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415042482 433974971 /nfs/dbraw/zinc/97/49/71/433974971.db2.gz QXPZPOSPADXPLP-RHSMWYFYSA-N 3 2 321.896 3.021 20 0 DGADLP [NH3+]CCC[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000303984466 433975038 /nfs/dbraw/zinc/97/50/38/433975038.db2.gz FFJDCZICFXASCO-UHFFFAOYSA-N 2 2 311.385 3.286 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000303984466 433975048 /nfs/dbraw/zinc/97/50/48/433975048.db2.gz FFJDCZICFXASCO-UHFFFAOYSA-N 2 2 311.385 3.286 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCC1)c1ccccc1 ZINC000422760695 433976618 /nfs/dbraw/zinc/97/66/18/433976618.db2.gz LDNMDCBBYDPSAV-YTQUADARSA-N 3 2 315.505 3.367 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000340193268 433976672 /nfs/dbraw/zinc/97/66/72/433976672.db2.gz XIBNSBSDUCGPGZ-MSOLQXFVSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000340193268 433976677 /nfs/dbraw/zinc/97/66/77/433976677.db2.gz XIBNSBSDUCGPGZ-MSOLQXFVSA-N 2 2 324.424 3.340 20 0 DGADLP C[C@H](NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422753761 433978582 /nfs/dbraw/zinc/97/85/82/433978582.db2.gz GJJHRGPCPOIECN-IAOVAPTHSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000422753761 433978592 /nfs/dbraw/zinc/97/85/92/433978592.db2.gz GJJHRGPCPOIECN-IAOVAPTHSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H](NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422753764 433979007 /nfs/dbraw/zinc/97/90/07/433979007.db2.gz GJJHRGPCPOIECN-KBRIMQKVSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000422753764 433979012 /nfs/dbraw/zinc/97/90/12/433979012.db2.gz GJJHRGPCPOIECN-KBRIMQKVSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422775220 433986867 /nfs/dbraw/zinc/98/68/67/433986867.db2.gz ARRGIOGEXQUIRI-NCXUSEDFSA-N 3 2 307.526 3.007 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422774386 433988398 /nfs/dbraw/zinc/98/83/98/433988398.db2.gz WTOAFQWKIABURX-CYBMUJFWSA-N 2 2 321.428 3.148 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000415721093 433988412 /nfs/dbraw/zinc/98/84/12/433988412.db2.gz JHFCRDWGZBFCAX-MRXNPFEDSA-N 2 2 312.417 3.082 20 0 DGADLP CC[C@@H](NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422772455 433989555 /nfs/dbraw/zinc/98/95/55/433989555.db2.gz YRQCHLCRDVWCPB-IKGGRYGDSA-N 2 2 309.885 3.063 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422772455 433989565 /nfs/dbraw/zinc/98/95/65/433989565.db2.gz YRQCHLCRDVWCPB-IKGGRYGDSA-N 2 2 309.885 3.063 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414952100 433937127 /nfs/dbraw/zinc/93/71/27/433937127.db2.gz QMFSMSGSUJBWER-KDOFPFPSSA-N 3 2 321.896 3.035 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414959592 433938471 /nfs/dbraw/zinc/93/84/71/433938471.db2.gz PXMGUNNRMLLXEO-SSDOTTSWSA-N 2 2 311.676 3.252 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000422705437 433940315 /nfs/dbraw/zinc/94/03/15/433940315.db2.gz CAJPVLCEHCUBJS-BPLDGKMQSA-N 2 2 316.367 3.037 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000303392551 433940531 /nfs/dbraw/zinc/94/05/31/433940531.db2.gz AOEVGMMTYBYTSF-MJGOQNOKSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC000303392551 433940537 /nfs/dbraw/zinc/94/05/37/433940537.db2.gz AOEVGMMTYBYTSF-MJGOQNOKSA-N 2 2 316.489 3.324 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422790740 434004500 /nfs/dbraw/zinc/00/45/00/434004500.db2.gz PSJZRSWANFAYPC-KXBFYZLASA-N 2 2 321.424 3.390 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840926 434046403 /nfs/dbraw/zinc/04/64/03/434046403.db2.gz UVDJEUDRDIHFOA-LEAZDLGRSA-N 3 2 315.505 3.160 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422840926 434046412 /nfs/dbraw/zinc/04/64/12/434046412.db2.gz UVDJEUDRDIHFOA-LEAZDLGRSA-N 3 2 315.505 3.160 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000377827502 434009296 /nfs/dbraw/zinc/00/92/96/434009296.db2.gz XLTFTDCLDKZPHI-MRXNPFEDSA-N 2 2 311.429 3.123 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000377827502 434009305 /nfs/dbraw/zinc/00/93/05/434009305.db2.gz XLTFTDCLDKZPHI-MRXNPFEDSA-N 2 2 311.429 3.123 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422797715 434010282 /nfs/dbraw/zinc/01/02/82/434010282.db2.gz ODXBREVSXHUIGJ-OALUTQOASA-N 2 2 316.489 3.101 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422796792 434010966 /nfs/dbraw/zinc/01/09/66/434010966.db2.gz KNDLXDGHYSFUFJ-OLZOCXBDSA-N 2 2 302.340 3.205 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340253368 434016785 /nfs/dbraw/zinc/01/67/85/434016785.db2.gz BKVAPYGSQDTHRY-NMLBUPMWSA-N 3 2 315.505 3.284 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340253368 434016792 /nfs/dbraw/zinc/01/67/92/434016792.db2.gz BKVAPYGSQDTHRY-NMLBUPMWSA-N 3 2 315.505 3.284 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422803035 434018036 /nfs/dbraw/zinc/01/80/36/434018036.db2.gz CHSFJUZUMXFMMB-UONOGXRCSA-N 2 2 315.230 3.338 20 0 DGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806842 434020848 /nfs/dbraw/zinc/02/08/48/434020848.db2.gz NXMYZFFEHMHBSK-IXDOHACOSA-N 2 2 301.459 3.085 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000422814667 434026878 /nfs/dbraw/zinc/02/68/78/434026878.db2.gz VVTVGHVGIBKNKQ-JOYOIKCWSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)[N@H+](C)Cc1ccccc1 ZINC000422823602 434028609 /nfs/dbraw/zinc/02/86/09/434028609.db2.gz LWLDYSXYWPTQJN-HOTGVXAUSA-N 3 2 312.461 3.055 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)[N@@H+](C)Cc1ccccc1 ZINC000422823602 434028615 /nfs/dbraw/zinc/02/86/15/434028615.db2.gz LWLDYSXYWPTQJN-HOTGVXAUSA-N 3 2 312.461 3.055 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422823166 434029474 /nfs/dbraw/zinc/02/94/74/434029474.db2.gz LIURXWHGKKCEBX-YQVWRLOYSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422823166 434029480 /nfs/dbraw/zinc/02/94/80/434029480.db2.gz LIURXWHGKKCEBX-YQVWRLOYSA-N 3 2 303.494 3.017 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000377889687 434030055 /nfs/dbraw/zinc/03/00/55/434030055.db2.gz PRZPVDJZMCPAIA-HSWBROFVSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000377889687 434030066 /nfs/dbraw/zinc/03/00/66/434030066.db2.gz PRZPVDJZMCPAIA-HSWBROFVSA-N 2 2 303.356 3.201 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422825583 434031545 /nfs/dbraw/zinc/03/15/45/434031545.db2.gz JSRMUPIRLASRIW-XFBWCDHKSA-N 2 2 310.388 3.396 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1F ZINC000340280502 434034209 /nfs/dbraw/zinc/03/42/09/434034209.db2.gz TUBZXBAKGIHGIN-AWEZNQCLSA-N 2 2 310.376 3.316 20 0 DGADLP Cc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000422833420 434035332 /nfs/dbraw/zinc/03/53/32/434035332.db2.gz GVBDTZZQJFHVPS-NUJGCVRESA-N 2 2 304.478 3.439 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422829647 434037328 /nfs/dbraw/zinc/03/73/28/434037328.db2.gz QDWOHEFSFCRVOV-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422841978 434044758 /nfs/dbraw/zinc/04/47/58/434044758.db2.gz DWBSIAGTHLKORD-VNTMZGSJSA-N 3 2 321.553 3.253 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340232045 434001450 /nfs/dbraw/zinc/00/14/50/434001450.db2.gz NQRBSCIFJRUOAH-JKSUJKDBSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340232045 434001458 /nfs/dbraw/zinc/00/14/58/434001458.db2.gz NQRBSCIFJRUOAH-JKSUJKDBSA-N 2 2 301.459 3.377 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861188 434062045 /nfs/dbraw/zinc/06/20/45/434062045.db2.gz MMZLVKXYWYMKLZ-SQGPQFPESA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861188 434062051 /nfs/dbraw/zinc/06/20/51/434062051.db2.gz MMZLVKXYWYMKLZ-SQGPQFPESA-N 3 2 315.505 3.149 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)sc1Br ZINC000414964116 293896897 /nfs/dbraw/zinc/89/68/97/293896897.db2.gz YDYLYRGZVUZVQY-MWLCHTKSSA-N 2 2 303.269 3.049 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422867338 434066148 /nfs/dbraw/zinc/06/61/48/434066148.db2.gz RXZDDMNMQXCLMA-IEWDOMPSSA-N 3 2 307.526 3.150 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867338 434066165 /nfs/dbraw/zinc/06/61/65/434066165.db2.gz RXZDDMNMQXCLMA-IEWDOMPSSA-N 3 2 307.526 3.150 20 0 DGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422872759 434069660 /nfs/dbraw/zinc/06/96/60/434069660.db2.gz INEZJLBRGJMVAV-RYRKJORJSA-N 2 2 320.477 3.029 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422874657 434073627 /nfs/dbraw/zinc/07/36/27/434073627.db2.gz OBEYOJQBUVKXQD-BZSNNMDCSA-N 2 2 320.502 3.364 20 0 DGADLP Cc1ccc(-c2nc(CC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)co2)cc1 ZINC000422879243 434076998 /nfs/dbraw/zinc/07/69/98/434076998.db2.gz LYFMYPWGQSOTIQ-MAUKXSAKSA-N 2 2 313.445 3.313 20 0 DGADLP C[C@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)C1C[NH2+]C1 ZINC000422892006 434085725 /nfs/dbraw/zinc/08/57/25/434085725.db2.gz XHXDJPDYBSNUTK-YVEFUNNKSA-N 2 2 301.821 3.022 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000422887070 434085764 /nfs/dbraw/zinc/08/57/64/434085764.db2.gz YEYWUHSNIKEKAN-GJZGRUSLSA-N 2 2 316.367 3.248 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422888214 434086793 /nfs/dbraw/zinc/08/67/93/434086793.db2.gz CDHLILIEZCSUGB-JSJNYSNDSA-N 3 2 315.505 3.134 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422888214 434086799 /nfs/dbraw/zinc/08/67/99/434086799.db2.gz CDHLILIEZCSUGB-JSJNYSNDSA-N 3 2 315.505 3.134 20 0 DGADLP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000422892191 434087884 /nfs/dbraw/zinc/08/78/84/434087884.db2.gz XRSBQEKZOCFKBI-FUHWJXTLSA-N 2 2 312.461 3.109 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422886930 434089087 /nfs/dbraw/zinc/08/90/87/434089087.db2.gz AARFDGCELSZKGR-IJEWVQPXSA-N 2 2 306.450 3.275 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422892328 434090095 /nfs/dbraw/zinc/09/00/95/434090095.db2.gz MTACCUIRZQKCFN-WJFTUGDTSA-N 3 2 307.526 3.007 20 0 DGADLP CCCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422893232 434090323 /nfs/dbraw/zinc/09/03/23/434090323.db2.gz PNLLYMUIQZYPDD-OALUTQOASA-N 2 2 323.440 3.061 20 0 DGADLP COCc1cc(N[C@H](C)C[N@H+](C)C(C)C)c2cc(F)ccc2[nH+]1 ZINC000357582289 434090272 /nfs/dbraw/zinc/09/02/72/434090272.db2.gz OKQZOCXDFGZKKJ-CYBMUJFWSA-N 2 2 319.424 3.083 20 0 DGADLP COCc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c2cc(F)ccc2[nH+]1 ZINC000357582289 434090277 /nfs/dbraw/zinc/09/02/77/434090277.db2.gz OKQZOCXDFGZKKJ-CYBMUJFWSA-N 2 2 319.424 3.083 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C[C@@H]3COc4ccccc43)C2)cc1 ZINC000305144769 434049141 /nfs/dbraw/zinc/04/91/41/434049141.db2.gz WWDNUOWFKFBADQ-RTBURBONSA-N 2 2 322.452 3.417 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@@H]3COc4ccccc43)C2)cc1 ZINC000305144769 434049150 /nfs/dbraw/zinc/04/91/50/434049150.db2.gz WWDNUOWFKFBADQ-RTBURBONSA-N 2 2 322.452 3.417 20 0 DGADLP Oc1ccc(F)c(C[NH2+]CCCCNc2cccc[nH+]2)c1F ZINC000294233018 434051170 /nfs/dbraw/zinc/05/11/70/434051170.db2.gz MMBVXJCLEKGLKS-UHFFFAOYSA-N 2 2 307.344 3.047 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422855645 434055882 /nfs/dbraw/zinc/05/58/82/434055882.db2.gz CWVBQIQSQPVUNV-CJNGLKHVSA-N 2 2 323.868 3.097 20 0 DGADLP Clc1ccc2sc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2c1 ZINC000422906051 434102601 /nfs/dbraw/zinc/10/26/01/434102601.db2.gz UARLMMHDNWXRIW-FOSCPWQOSA-N 2 2 307.850 3.322 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422911093 434104359 /nfs/dbraw/zinc/10/43/59/434104359.db2.gz SEESQNFMZPWRIG-PBHICJAKSA-N 2 2 322.880 3.118 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]3C(C)C)c2cc1C ZINC000357616827 434106146 /nfs/dbraw/zinc/10/61/46/434106146.db2.gz VNDDZKOBXIPNTL-AEFFLSMTSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]3C(C)C)c2cc1C ZINC000357616827 434106152 /nfs/dbraw/zinc/10/61/52/434106152.db2.gz VNDDZKOBXIPNTL-AEFFLSMTSA-N 2 2 315.461 3.134 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353396495 434109638 /nfs/dbraw/zinc/10/96/38/434109638.db2.gz UAHYMKHWDAWADK-OXHPOLQJSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000353396495 434109646 /nfs/dbraw/zinc/10/96/46/434109646.db2.gz UAHYMKHWDAWADK-OXHPOLQJSA-N 3 2 315.505 3.112 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422914600 434110063 /nfs/dbraw/zinc/11/00/63/434110063.db2.gz UXRUNVGMGGLVEK-APWZRJJASA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422914600 434110070 /nfs/dbraw/zinc/11/00/70/434110070.db2.gz UXRUNVGMGGLVEK-APWZRJJASA-N 3 2 303.494 3.147 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2(C3CC3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422932500 434115777 /nfs/dbraw/zinc/11/57/77/434115777.db2.gz FZXDXBYJLHZRQR-QZTJIDSGSA-N 2 2 300.446 3.268 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940774 434122961 /nfs/dbraw/zinc/12/29/61/434122961.db2.gz IZUMZYNEHBMWOA-VNQPRFMTSA-N 2 2 304.434 3.029 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000493667788 294003136 /nfs/dbraw/zinc/00/31/36/294003136.db2.gz ADCQJIFDEQVHKW-ZOCIIQOWSA-N 2 2 304.453 3.465 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000493667788 294003137 /nfs/dbraw/zinc/00/31/37/294003137.db2.gz ADCQJIFDEQVHKW-ZOCIIQOWSA-N 2 2 304.453 3.465 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346076735 434101088 /nfs/dbraw/zinc/10/10/88/434101088.db2.gz AVALLLYKZGUKOL-CRAIPNDOSA-N 2 2 323.440 3.423 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346076735 434101101 /nfs/dbraw/zinc/10/11/01/434101101.db2.gz AVALLLYKZGUKOL-CRAIPNDOSA-N 2 2 323.440 3.423 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000422937975 434123208 /nfs/dbraw/zinc/12/32/08/434123208.db2.gz KHINGJZRWBEIAW-MNOVXSKESA-N 2 2 303.269 3.131 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940773 434124035 /nfs/dbraw/zinc/12/40/35/434124035.db2.gz IZUMZYNEHBMWOA-NUEKZKHPSA-N 2 2 304.434 3.029 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](C4CCCCC4)CC3)n2c1 ZINC000506383378 294270297 /nfs/dbraw/zinc/27/02/97/294270297.db2.gz TZUZVDYPIMZSPY-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)Cc1ccccc1 ZINC000507508821 294302679 /nfs/dbraw/zinc/30/26/79/294302679.db2.gz KLTJGLAHJPKUSP-IHPCNDPISA-N 2 2 318.505 3.344 20 0 DGADLP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709568 294330605 /nfs/dbraw/zinc/33/06/05/294330605.db2.gz HYLUOOQBPWTTCJ-UYAOXDASSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709568 294330608 /nfs/dbraw/zinc/33/06/08/294330608.db2.gz HYLUOOQBPWTTCJ-UYAOXDASSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709568 294330611 /nfs/dbraw/zinc/33/06/11/294330611.db2.gz HYLUOOQBPWTTCJ-UYAOXDASSA-N 3 2 317.521 3.219 20 0 DGADLP CCC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709568 294330612 /nfs/dbraw/zinc/33/06/12/294330612.db2.gz HYLUOOQBPWTTCJ-UYAOXDASSA-N 3 2 317.521 3.219 20 0 DGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000508981043 294337428 /nfs/dbraw/zinc/33/74/28/294337428.db2.gz ZLLHZQIBEUIIEN-MOPGFXCFSA-N 2 2 315.505 3.177 20 0 DGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000508981043 294337433 /nfs/dbraw/zinc/33/74/33/294337433.db2.gz ZLLHZQIBEUIIEN-MOPGFXCFSA-N 2 2 315.505 3.177 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509020529 294337889 /nfs/dbraw/zinc/33/78/89/294337889.db2.gz FDYBNJACJWMTKN-ROUUACIJSA-N 2 2 303.494 3.223 20 0 DGADLP CC(C)[C@@H](C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509293504 294345560 /nfs/dbraw/zinc/34/55/60/294345560.db2.gz JCGDURYPPZWHRG-GOSISDBHSA-N 2 2 303.494 3.175 20 0 DGADLP CC(C)[C@@H](C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509293504 294345565 /nfs/dbraw/zinc/34/55/65/294345565.db2.gz JCGDURYPPZWHRG-GOSISDBHSA-N 2 2 303.494 3.175 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000510420848 294382594 /nfs/dbraw/zinc/38/25/94/294382594.db2.gz HCDGPIVGXGIPLZ-DLBZAZTESA-N 2 2 324.468 3.360 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000510420848 294382600 /nfs/dbraw/zinc/38/26/00/294382600.db2.gz HCDGPIVGXGIPLZ-DLBZAZTESA-N 2 2 324.468 3.360 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000363758588 434136098 /nfs/dbraw/zinc/13/60/98/434136098.db2.gz RTHLLOIWVRERLL-YOEHRIQHSA-N 2 2 313.445 3.298 20 0 DGADLP COC(=O)CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422955402 434136165 /nfs/dbraw/zinc/13/61/65/434136165.db2.gz JENHJSYKOFNNHN-CEXWTWQISA-N 2 2 324.424 3.415 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422955408 434139113 /nfs/dbraw/zinc/13/91/13/434139113.db2.gz JFMFKTWOYWIROY-HZMBPMFUSA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)c2ccccc21 ZINC000422970041 434143359 /nfs/dbraw/zinc/14/33/59/434143359.db2.gz FAXBRQKAJQOOIZ-ZWKOTPCHSA-N 2 2 309.413 3.105 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363778790 434146663 /nfs/dbraw/zinc/14/66/63/434146663.db2.gz CELFPVQRSAWFRP-CFVMTHIKSA-N 2 2 323.506 3.089 20 0 DGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363778790 434146676 /nfs/dbraw/zinc/14/66/76/434146676.db2.gz CELFPVQRSAWFRP-CFVMTHIKSA-N 2 2 323.506 3.089 20 0 DGADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccn1 ZINC000422973800 434149158 /nfs/dbraw/zinc/14/91/58/434149158.db2.gz CUMUNURAXAWVHS-VYDXJSESSA-N 2 2 305.466 3.125 20 0 DGADLP C[N@@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@H]21 ZINC000450396300 434154919 /nfs/dbraw/zinc/15/49/19/434154919.db2.gz VPOBJOOBXXZRMQ-XJKSGUPXSA-N 2 2 321.428 3.032 20 0 DGADLP C[N@H+]1CCC[C@H]2CN(c3[nH+]cnc4[nH]c5ccccc5c43)CC[C@H]21 ZINC000450396300 434154927 /nfs/dbraw/zinc/15/49/27/434154927.db2.gz VPOBJOOBXXZRMQ-XJKSGUPXSA-N 2 2 321.428 3.032 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423028618 434170534 /nfs/dbraw/zinc/17/05/34/434170534.db2.gz SSPUPRFONAKWMS-MDZRGWNJSA-N 2 2 304.478 3.098 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340521954 434179305 /nfs/dbraw/zinc/17/93/05/434179305.db2.gz YOBYVMDPPQYFOY-FPAYPSAMSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@]1(C)CCCO1 ZINC000340521954 434179318 /nfs/dbraw/zinc/17/93/18/434179318.db2.gz YOBYVMDPPQYFOY-FPAYPSAMSA-N 2 2 302.462 3.197 20 0 DGADLP CCCCCn1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)n1 ZINC000423032330 434179700 /nfs/dbraw/zinc/17/97/00/434179700.db2.gz YHDHWFMSKPXTJX-CQSZACIVSA-N 2 2 301.438 3.040 20 0 DGADLP COc1ccc([C@H]([NH2+]C2Cc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423040033 434180537 /nfs/dbraw/zinc/18/05/37/434180537.db2.gz SFSLZMWOVPCNON-SFTDATJTSA-N 2 2 322.452 3.245 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](OC(C)C)c1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423053171 434194482 /nfs/dbraw/zinc/19/44/82/434194482.db2.gz RFDOXANREJIEGI-AOIWGVFYSA-N 2 2 320.477 3.282 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423065437 434198013 /nfs/dbraw/zinc/19/80/13/434198013.db2.gz UKUSFMKALVXFOD-SNPRPXQTSA-N 2 2 300.368 3.453 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423065436 434199053 /nfs/dbraw/zinc/19/90/53/434199053.db2.gz UKUSFMKALVXFOD-QEJZJMRPSA-N 2 2 300.368 3.453 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ncoc1-c1ccccc1 ZINC000363980204 434199708 /nfs/dbraw/zinc/19/97/08/434199708.db2.gz UVCKQQVHGWECKO-UHFFFAOYSA-N 2 2 308.385 3.092 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423066405 434202204 /nfs/dbraw/zinc/20/22/04/434202204.db2.gz WVPSRRYHJNRSTI-XUVXKRRUSA-N 3 2 315.505 3.147 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423066405 434202212 /nfs/dbraw/zinc/20/22/12/434202212.db2.gz WVPSRRYHJNRSTI-XUVXKRRUSA-N 3 2 315.505 3.147 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000357845166 434211635 /nfs/dbraw/zinc/21/16/35/434211635.db2.gz AMVSHLLKVNZWKN-MRXNPFEDSA-N 2 2 310.869 3.226 20 0 DGADLP Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000353540724 434212007 /nfs/dbraw/zinc/21/20/07/434212007.db2.gz FFOXRXDPVJFELP-QGZVFWFLSA-N 2 2 323.400 3.209 20 0 DGADLP Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000353540724 434212021 /nfs/dbraw/zinc/21/20/21/434212021.db2.gz FFOXRXDPVJFELP-QGZVFWFLSA-N 2 2 323.400 3.209 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423089518 434212936 /nfs/dbraw/zinc/21/29/36/434212936.db2.gz SLCMSVGLFKNAPY-CJNGLKHVSA-N 2 2 315.392 3.101 20 0 DGADLP CO[C@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353547748 434215350 /nfs/dbraw/zinc/21/53/50/434215350.db2.gz ZNNYMWLVHZDEGY-LJQANCHMSA-N 2 2 316.445 3.421 20 0 DGADLP CO[C@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353547748 434215358 /nfs/dbraw/zinc/21/53/58/434215358.db2.gz ZNNYMWLVHZDEGY-LJQANCHMSA-N 2 2 316.445 3.421 20 0 DGADLP CO[C@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000353547748 434215366 /nfs/dbraw/zinc/21/53/66/434215366.db2.gz ZNNYMWLVHZDEGY-LJQANCHMSA-N 2 2 316.445 3.421 20 0 DGADLP CO[C@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000353547748 434215372 /nfs/dbraw/zinc/21/53/72/434215372.db2.gz ZNNYMWLVHZDEGY-LJQANCHMSA-N 2 2 316.445 3.421 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423104374 434216474 /nfs/dbraw/zinc/21/64/74/434216474.db2.gz MAFMGIPXAMRNBT-PBHICJAKSA-N 2 2 300.450 3.006 20 0 DGADLP C[N@H+]1C[C@H]2CN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C[C@H]2C1 ZINC000450482680 434216666 /nfs/dbraw/zinc/21/66/66/434216666.db2.gz HMFJCCPNHXRXOB-BETUJISGSA-N 2 2 321.346 3.251 20 0 DGADLP C[N@@H+]1C[C@H]2CN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)C[C@H]2C1 ZINC000450482680 434216676 /nfs/dbraw/zinc/21/66/76/434216676.db2.gz HMFJCCPNHXRXOB-BETUJISGSA-N 2 2 321.346 3.251 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCOc1cccc(F)c1)Cc1ccco1 ZINC000353552049 434219945 /nfs/dbraw/zinc/21/99/45/434219945.db2.gz WLQJTDKHFGKTQJ-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@H+](C)CCOc1cccc(F)c1)Cc1ccco1 ZINC000353552049 434219958 /nfs/dbraw/zinc/21/99/58/434219958.db2.gz WLQJTDKHFGKTQJ-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCOc1cccc(F)c1 ZINC000353552049 434219964 /nfs/dbraw/zinc/21/99/64/434219964.db2.gz WLQJTDKHFGKTQJ-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCOc1cccc(F)c1 ZINC000353552049 434219974 /nfs/dbraw/zinc/21/99/74/434219974.db2.gz WLQJTDKHFGKTQJ-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP CN1Cc2ccccc2[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000378399114 434166248 /nfs/dbraw/zinc/16/62/48/434166248.db2.gz DXARSAIBZKSHLU-SFHVURJKSA-N 2 2 301.478 3.026 20 0 DGADLP C[C@@H](Cc1ccccc1F)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000363868490 434168014 /nfs/dbraw/zinc/16/80/14/434168014.db2.gz VYANHZWJBWYOMC-AWEZNQCLSA-N 2 2 301.409 3.122 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)Cc4ccccc43)n2c1 ZINC000353585935 434249873 /nfs/dbraw/zinc/24/98/73/434249873.db2.gz AQZGBTUJZATLFM-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)Cc4ccccc43)n2c1 ZINC000353585935 434249881 /nfs/dbraw/zinc/24/98/81/434249881.db2.gz AQZGBTUJZATLFM-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP CC(C)CCn1nc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c2ccccc21 ZINC000423151940 434251093 /nfs/dbraw/zinc/25/10/93/434251093.db2.gz KWSSXGKUILZZQE-HOTGVXAUSA-N 2 2 300.450 3.052 20 0 DGADLP CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000321396349 434252279 /nfs/dbraw/zinc/25/22/79/434252279.db2.gz PGTXGEAMSOLTJX-RBUKOAKNSA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000321396349 434252293 /nfs/dbraw/zinc/25/22/93/434252293.db2.gz PGTXGEAMSOLTJX-RBUKOAKNSA-N 2 2 318.461 3.071 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)n2)c2ccccc21 ZINC000423155697 434255057 /nfs/dbraw/zinc/25/50/57/434255057.db2.gz JXEWAEBEYNYJLB-ZIAGYGMSSA-N 2 2 307.319 3.335 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]cn1)c1ccccc1Cl ZINC000346624789 434255621 /nfs/dbraw/zinc/25/56/21/434255621.db2.gz IHOXQNGJVHIOIR-INIZCTEOSA-N 2 2 318.852 3.933 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379647911 434258614 /nfs/dbraw/zinc/25/86/14/434258614.db2.gz LIURXWHGKKCEBX-AOIWGVFYSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647911 434258622 /nfs/dbraw/zinc/25/86/22/434258622.db2.gz LIURXWHGKKCEBX-AOIWGVFYSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncn1 ZINC000379626026 434260579 /nfs/dbraw/zinc/26/05/79/434260579.db2.gz GMLHDYPYBNQWOE-BQFCYCMXSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncn1 ZINC000379626026 434260585 /nfs/dbraw/zinc/26/05/85/434260585.db2.gz GMLHDYPYBNQWOE-BQFCYCMXSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000423167465 434262803 /nfs/dbraw/zinc/26/28/03/434262803.db2.gz WSEISJJSWUJENA-GSEOLPGOSA-N 2 2 316.489 3.317 20 0 DGADLP [NH3+]CC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000423186947 434270103 /nfs/dbraw/zinc/27/01/03/434270103.db2.gz ORLJNANLFSYWAR-GFCCVEGCSA-N 2 2 303.631 3.102 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000423106889 434222293 /nfs/dbraw/zinc/22/22/93/434222293.db2.gz ROOFGUMVZPQWTK-QZTJIDSGSA-N 3 2 307.526 3.010 20 0 DGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110770 434223375 /nfs/dbraw/zinc/22/33/75/434223375.db2.gz VDKHWBWOWKCLQO-PBHICJAKSA-N 3 2 311.901 3.440 20 0 DGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110770 434223381 /nfs/dbraw/zinc/22/33/81/434223381.db2.gz VDKHWBWOWKCLQO-PBHICJAKSA-N 3 2 311.901 3.440 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295135485 434225348 /nfs/dbraw/zinc/22/53/48/434225348.db2.gz YZNQSSQKSWFJNM-PBHICJAKSA-N 2 2 315.486 3.104 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295135485 434225358 /nfs/dbraw/zinc/22/53/58/434225358.db2.gz YZNQSSQKSWFJNM-PBHICJAKSA-N 2 2 315.486 3.104 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCSC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423118927 434226771 /nfs/dbraw/zinc/22/67/71/434226771.db2.gz CSADQRYWOOLCIJ-OLMNPRSZSA-N 2 2 320.502 3.221 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353553587 434226838 /nfs/dbraw/zinc/22/68/38/434226838.db2.gz SKDZBZIVZQWESM-IBGZPJMESA-N 2 2 320.452 3.320 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353553587 434226845 /nfs/dbraw/zinc/22/68/45/434226845.db2.gz SKDZBZIVZQWESM-IBGZPJMESA-N 2 2 320.452 3.320 20 0 DGADLP Fc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(F)cn1 ZINC000295147850 434230337 /nfs/dbraw/zinc/23/03/37/434230337.db2.gz JGPGHKLLUAVKFV-UHFFFAOYSA-N 2 2 309.404 3.104 20 0 DGADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000423196415 434275853 /nfs/dbraw/zinc/27/58/53/434275853.db2.gz VGVZEVUKBKKMTH-MSOLQXFVSA-N 2 2 315.848 3.360 20 0 DGADLP c1cc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)nc2[nH]1 ZINC000423128359 434237048 /nfs/dbraw/zinc/23/70/48/434237048.db2.gz VTXRXJUDIJJIND-AEFFLSMTSA-N 2 2 306.413 3.146 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423202768 434279179 /nfs/dbraw/zinc/27/91/79/434279179.db2.gz LFIYWAZPKOEXFW-PWSUYJOCSA-N 2 2 304.381 3.354 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423202769 434279699 /nfs/dbraw/zinc/27/96/99/434279699.db2.gz LFIYWAZPKOEXFW-ZYHUDNBSSA-N 2 2 304.381 3.354 20 0 DGADLP COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353620242 434280398 /nfs/dbraw/zinc/28/03/98/434280398.db2.gz XGUQUFZVEISMRQ-GOSISDBHSA-N 2 2 312.413 3.169 20 0 DGADLP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353620242 434280406 /nfs/dbraw/zinc/28/04/06/434280406.db2.gz XGUQUFZVEISMRQ-GOSISDBHSA-N 2 2 312.413 3.169 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000295280286 434289502 /nfs/dbraw/zinc/28/95/02/434289502.db2.gz CZFXRNQEAOKAIR-UHFFFAOYSA-N 2 2 313.445 3.291 20 0 DGADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(C)c1 ZINC000423233459 434298740 /nfs/dbraw/zinc/29/87/40/434298740.db2.gz OJUOKQKKZHLZEX-INIZCTEOSA-N 2 2 310.445 3.281 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(C)c1 ZINC000423229859 434299958 /nfs/dbraw/zinc/29/99/58/434299958.db2.gz HZOJPXWAWFNJOI-GOSISDBHSA-N 2 2 310.445 3.363 20 0 DGADLP CCn1c2ccccc2[nH+]c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000340689626 434300284 /nfs/dbraw/zinc/30/02/84/434300284.db2.gz QXBQDKIHUWJDLL-UHFFFAOYSA-N 2 2 305.385 3.624 20 0 DGADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423233229 434301170 /nfs/dbraw/zinc/30/11/70/434301170.db2.gz JRLUWQJHRDNHEY-QZTJIDSGSA-N 2 2 315.848 3.360 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423229827 434301362 /nfs/dbraw/zinc/30/13/62/434301362.db2.gz CENYBHNEWYFUJM-OCCSQVGLSA-N 2 2 302.340 3.378 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(SCC(F)F)cc1 ZINC000423229065 434301535 /nfs/dbraw/zinc/30/15/35/434301535.db2.gz AEKBNLCSMWQIQD-AAEUAGOBSA-N 2 2 300.418 3.446 20 0 DGADLP c1cc2c(s1)CCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232452 434301635 /nfs/dbraw/zinc/30/16/35/434301635.db2.gz MPMWCPJOPBBJEW-HNNXBMFYSA-N 2 2 314.458 3.042 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)sc1Br ZINC000423235180 434302675 /nfs/dbraw/zinc/30/26/75/434302675.db2.gz MVTSPZIPQTZTKH-ZJUUUORDSA-N 2 2 303.269 3.222 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000348398636 434303225 /nfs/dbraw/zinc/30/32/25/434303225.db2.gz CEUVWKBRHMBODQ-ZDUSSCGKSA-N 2 2 302.422 3.354 20 0 DGADLP Cc1cccc(Cl)c1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000450630291 434304285 /nfs/dbraw/zinc/30/42/85/434304285.db2.gz UNBZUIVSDGTAET-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP Cc1cccc(Cl)c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000450630291 434304297 /nfs/dbraw/zinc/30/42/97/434304297.db2.gz UNBZUIVSDGTAET-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP Cc1cccc(Cl)c1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000450630291 434304306 /nfs/dbraw/zinc/30/43/06/434304306.db2.gz UNBZUIVSDGTAET-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP Cc1cccc(Cl)c1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450630291 434304316 /nfs/dbraw/zinc/30/43/16/434304316.db2.gz UNBZUIVSDGTAET-UHFFFAOYSA-N 2 2 323.912 3.106 20 0 DGADLP C[C@@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc21 ZINC000423238961 434305846 /nfs/dbraw/zinc/30/58/46/434305846.db2.gz VQOMCKKWWBTFAQ-KDOFPFPSSA-N 2 2 308.429 3.152 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423240623 434306710 /nfs/dbraw/zinc/30/67/10/434306710.db2.gz CMEMUEHLNMBEJW-HOTGVXAUSA-N 2 2 300.377 3.111 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)n1C ZINC000516980932 294646730 /nfs/dbraw/zinc/64/67/30/294646730.db2.gz DZLVQXPKKINBRD-MJGOQNOKSA-N 2 2 313.445 3.294 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(F)c1 ZINC000423243292 434307879 /nfs/dbraw/zinc/30/78/79/434307879.db2.gz ZUPJYTSXISZXAM-QGZVFWFLSA-N 2 2 314.408 3.194 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245839 434309600 /nfs/dbraw/zinc/30/96/00/434309600.db2.gz YUCDCPHOWJYFSD-BBRMVZONSA-N 2 2 315.486 3.445 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423248946 434311430 /nfs/dbraw/zinc/31/14/30/434311430.db2.gz SFNWQLZTDAEJJJ-KGLIPLIRSA-N 2 2 301.459 3.373 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000386594015 434315038 /nfs/dbraw/zinc/31/50/38/434315038.db2.gz SGMLODLRHNCHRK-QFBILLFUSA-N 3 2 303.494 3.149 20 0 DGADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423250279 434314972 /nfs/dbraw/zinc/31/49/72/434314972.db2.gz UCPZZMUEDACZGT-ZDUSSCGKSA-N 2 2 317.658 3.289 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423258263 434317972 /nfs/dbraw/zinc/31/79/72/434317972.db2.gz BEQWELVHGXMZRP-GXSJLCMTSA-N 2 2 317.296 3.461 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCC2 ZINC000423257654 434320361 /nfs/dbraw/zinc/32/03/61/434320361.db2.gz AAAZSBSNZZUJEW-KGLIPLIRSA-N 2 2 322.449 3.105 20 0 DGADLP CCn1cc[nH+]c1CNCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000387453908 434322366 /nfs/dbraw/zinc/32/23/66/434322366.db2.gz QYCNJXBEZOIWSQ-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP CCn1cc[nH+]c1CNCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000387453908 434322375 /nfs/dbraw/zinc/32/23/75/434322375.db2.gz QYCNJXBEZOIWSQ-UHFFFAOYSA-N 2 2 312.461 3.047 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000295359253 434323872 /nfs/dbraw/zinc/32/38/72/434323872.db2.gz JAPOLFSOHIGYFK-CGTJXYLNSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000353676308 434327426 /nfs/dbraw/zinc/32/74/26/434327426.db2.gz XCXPBHBQDYGLCD-DOMZBBRYSA-N 2 2 305.372 3.087 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423272880 434328399 /nfs/dbraw/zinc/32/83/99/434328399.db2.gz KEXVFEGGNLTJBN-NWDGAFQWSA-N 2 2 307.438 3.455 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000423273650 434329100 /nfs/dbraw/zinc/32/91/00/434329100.db2.gz KUQFQSKSLPTOOW-RNCFNFMXSA-N 2 2 303.219 3.222 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423322592 434361151 /nfs/dbraw/zinc/36/11/51/434361151.db2.gz IYWFAUHICQULOA-MLGOLLRUSA-N 2 2 306.356 3.314 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)s1 ZINC000366219596 434361606 /nfs/dbraw/zinc/36/16/06/434361606.db2.gz RSEQYNWBNQQJSP-AGIUHOORSA-N 2 2 314.882 3.305 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)s1 ZINC000366219596 434361612 /nfs/dbraw/zinc/36/16/12/434361612.db2.gz RSEQYNWBNQQJSP-AGIUHOORSA-N 2 2 314.882 3.305 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CC(C(C)C)C2)cc1 ZINC000423327856 434366140 /nfs/dbraw/zinc/36/61/40/434366140.db2.gz KLOVYPQYUBNXSV-LRMJVLKBSA-N 2 2 302.462 3.165 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1Cl ZINC000417375700 434370872 /nfs/dbraw/zinc/37/08/72/434370872.db2.gz CMLMNUAGSMUWGF-ZDUSSCGKSA-N 2 2 323.868 3.049 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccccc2)cc1 ZINC000423343925 434373375 /nfs/dbraw/zinc/37/33/75/434373375.db2.gz WNIQLDVXUIBMQT-UIAACRFSSA-N 2 2 310.441 3.492 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Br)cc1Cl ZINC000423343290 434376961 /nfs/dbraw/zinc/37/69/61/434376961.db2.gz ZWGNTFYGOUOSFR-PRHODGIISA-N 2 2 305.647 3.490 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1Br ZINC000423359052 434382193 /nfs/dbraw/zinc/38/21/93/434382193.db2.gz JYQFVKVHLUPLEO-ZYHUDNBSSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000518398436 294718192 /nfs/dbraw/zinc/71/81/92/294718192.db2.gz RUUBXGPGXVQSBN-GOSISDBHSA-N 2 2 315.505 3.365 20 0 DGADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000423362982 434385069 /nfs/dbraw/zinc/38/50/69/434385069.db2.gz UJFQSGHVTVXGEJ-GUYCJALGSA-N 2 2 311.385 3.201 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423370381 434387742 /nfs/dbraw/zinc/38/77/42/434387742.db2.gz CZYIYEZFDZMRMK-QMTHXVAHSA-N 2 2 302.340 3.160 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)OCCCO2 ZINC000423378932 434389585 /nfs/dbraw/zinc/38/95/85/434389585.db2.gz GEFCORPDVGXEAW-KBXCAEBGSA-N 2 2 318.461 3.277 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423275280 434334940 /nfs/dbraw/zinc/33/49/40/434334940.db2.gz LKWAMUOYFHPGMG-DIFFPNOSSA-N 2 2 318.852 3.222 20 0 DGADLP CS[C@H]1CN(c2cc(C)[nH+]c3c(F)cccc23)C[C@H]1[NH+](C)C ZINC000340753083 434341344 /nfs/dbraw/zinc/34/13/44/434341344.db2.gz KUIRDHVRFHDXGQ-CVEARBPZSA-N 2 2 319.449 3.164 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423313938 434355670 /nfs/dbraw/zinc/35/56/70/434355670.db2.gz GLXJNRNCCZTSDO-QMTHXVAHSA-N 2 2 305.422 3.337 20 0 DGADLP C[C@H](C[NH3+])C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000423312782 434355891 /nfs/dbraw/zinc/35/58/91/434355891.db2.gz VSOGYNDMORSUOZ-ABAIWWIYSA-N 2 2 323.234 3.316 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(C)n1 ZINC000287415063 434357654 /nfs/dbraw/zinc/35/76/54/434357654.db2.gz RSWNWJMSVVQYJN-TWOQFEAHSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(C)n1 ZINC000287415063 434357662 /nfs/dbraw/zinc/35/76/62/434357662.db2.gz RSWNWJMSVVQYJN-TWOQFEAHSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423322114 434358632 /nfs/dbraw/zinc/35/86/32/434358632.db2.gz NOTJFEILIMUVJI-KDOFPFPSSA-N 2 2 312.461 3.185 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000423323426 434359505 /nfs/dbraw/zinc/35/95/05/434359505.db2.gz HIZZWOQBSSXROR-ACRUOGEOSA-N 2 2 322.452 3.418 20 0 DGADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C[NH3+])s2)cc1 ZINC000423379845 434393118 /nfs/dbraw/zinc/39/31/18/434393118.db2.gz XWSCOCMXPAWPDO-QWRGUYRKSA-N 2 2 305.447 3.125 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423386474 434398230 /nfs/dbraw/zinc/39/82/30/434398230.db2.gz LFZVONVGCBHZDZ-TZMCWYRMSA-N 2 2 307.507 3.451 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]CC[C@H]1CCOC1)c1cccc(OC)c1 ZINC000438082881 434398332 /nfs/dbraw/zinc/39/83/32/434398332.db2.gz WGDDUHKONLXUEG-QFBILLFUSA-N 2 2 320.477 3.094 20 0 DGADLP Cc1cn2cc(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)ccc2[nH+]1 ZINC000423388862 434398330 /nfs/dbraw/zinc/39/83/30/434398330.db2.gz JENLIYRGRLOUPW-QGZVFWFLSA-N 2 2 322.412 3.307 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000393660673 434399202 /nfs/dbraw/zinc/39/92/02/434399202.db2.gz XQPORTWWLCUFKF-DOTOQJQBSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000393660673 434399207 /nfs/dbraw/zinc/39/92/07/434399207.db2.gz XQPORTWWLCUFKF-DOTOQJQBSA-N 2 2 304.478 3.036 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423393559 434400943 /nfs/dbraw/zinc/40/09/43/434400943.db2.gz YTNBDJABFMPNSO-ZJUUUORDSA-N 2 2 303.219 3.237 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423395417 434400982 /nfs/dbraw/zinc/40/09/82/434400982.db2.gz SODBJNVLVOFLDX-GOEBONIOSA-N 2 2 306.425 3.189 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423400700 434405411 /nfs/dbraw/zinc/40/54/11/434405411.db2.gz XAFRONSHXSADPE-GUYCJALGSA-N 2 2 306.450 3.133 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423412853 434409863 /nfs/dbraw/zinc/40/98/63/434409863.db2.gz IWVVVKZVIHKQNF-PBHICJAKSA-N 2 2 308.491 3.218 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2cc3c(s2)CCCC3)CCC[NH2+]1 ZINC000423413611 434412825 /nfs/dbraw/zinc/41/28/25/434412825.db2.gz LAWVNYARNBJTLE-CXAGYDPISA-N 2 2 308.491 3.046 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329443854 434413463 /nfs/dbraw/zinc/41/34/63/434413463.db2.gz CBFZJIRSWWYUTC-BZUAXINKSA-N 2 2 310.445 3.286 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329443854 434413472 /nfs/dbraw/zinc/41/34/72/434413472.db2.gz CBFZJIRSWWYUTC-BZUAXINKSA-N 2 2 310.445 3.286 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423419105 434416302 /nfs/dbraw/zinc/41/63/02/434416302.db2.gz AJZVHKZBTKMPKE-YJYMSZOUSA-N 2 2 324.428 3.301 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423416976 434417356 /nfs/dbraw/zinc/41/73/56/434417356.db2.gz DTUVJQZFTSTVSX-MLYOOKFZSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423416976 434417365 /nfs/dbraw/zinc/41/73/65/434417365.db2.gz DTUVJQZFTSTVSX-MLYOOKFZSA-N 3 2 315.505 3.004 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419765 434417483 /nfs/dbraw/zinc/41/74/83/434417483.db2.gz JDBTZUDNLIRDPH-IUODEOHRSA-N 2 2 316.367 3.125 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)COC2 ZINC000423429681 434420823 /nfs/dbraw/zinc/42/08/23/434420823.db2.gz PEQIAUWUBNGDPF-VBKZILBWSA-N 2 2 308.425 3.254 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423448694 434428522 /nfs/dbraw/zinc/42/85/22/434428522.db2.gz VJSVBYPLLQGFHH-ULQDDVLXSA-N 2 2 317.477 3.381 20 0 DGADLP COc1cc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(F)cn1 ZINC000287684118 434428612 /nfs/dbraw/zinc/42/86/12/434428612.db2.gz MUQMGJOXAYKSEZ-KGLIPLIRSA-N 2 2 309.429 3.144 20 0 DGADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423444558 434430213 /nfs/dbraw/zinc/43/02/13/434430213.db2.gz XWKBHVCSJXLQIT-PBHICJAKSA-N 2 2 308.491 3.218 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]CCCCCOc2ccccc2)CCSC1 ZINC000438183781 434430954 /nfs/dbraw/zinc/43/09/54/434430954.db2.gz ZTLGSGLTZSJRGS-SFHVURJKSA-N 2 2 322.518 3.263 20 0 DGADLP C[C@H]([NH2+]Cc1csc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000397302633 434433125 /nfs/dbraw/zinc/43/31/25/434433125.db2.gz LBFXHTSVIBMYBL-GXSJLCMTSA-N 2 2 303.269 3.131 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498373 434434610 /nfs/dbraw/zinc/43/46/10/434434610.db2.gz SIBIFWYESUWOJR-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498373 434434616 /nfs/dbraw/zinc/43/46/16/434434616.db2.gz SIBIFWYESUWOJR-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498373 434434622 /nfs/dbraw/zinc/43/46/22/434434622.db2.gz SIBIFWYESUWOJR-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)C1 ZINC000366498373 434434627 /nfs/dbraw/zinc/43/46/27/434434627.db2.gz SIBIFWYESUWOJR-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC1 ZINC000438341395 434459137 /nfs/dbraw/zinc/45/91/37/434459137.db2.gz NVUXSKNADGGORO-UHFFFAOYSA-N 2 2 302.462 3.492 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000423501202 434459458 /nfs/dbraw/zinc/45/94/58/434459458.db2.gz LBZFUFQVCYVDQV-DYVFJYSZSA-N 2 2 314.429 3.314 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1OC ZINC000423502332 434460102 /nfs/dbraw/zinc/46/01/02/434460102.db2.gz FEGZMJZUYZQOLM-IPMKNSEASA-N 2 2 310.441 3.492 20 0 DGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccccc32)C[C@H]1c1ncc[nH]1 ZINC000360003782 434469172 /nfs/dbraw/zinc/46/91/72/434469172.db2.gz ATWZNXSPVGNPGO-SFHVURJKSA-N 2 2 321.428 3.150 20 0 DGADLP CCN1CCN(c2cc(C)[nH+]c3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000360003782 434469179 /nfs/dbraw/zinc/46/91/79/434469179.db2.gz ATWZNXSPVGNPGO-SFHVURJKSA-N 2 2 321.428 3.150 20 0 DGADLP CC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H]1C ZINC000423520230 434471440 /nfs/dbraw/zinc/47/14/40/434471440.db2.gz DYMBMHJHAIAAFY-UHOSZYNNSA-N 3 2 315.505 3.004 20 0 DGADLP CCn1nccc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296003217 434471952 /nfs/dbraw/zinc/47/19/52/434471952.db2.gz LAQSXHADQOQFDV-UHFFFAOYSA-N 2 2 315.808 3.032 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000423518481 434472783 /nfs/dbraw/zinc/47/27/83/434472783.db2.gz ZHROEXHBUIZDEF-ACJLOTCBSA-N 2 2 314.477 3.433 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423526438 434475888 /nfs/dbraw/zinc/47/58/88/434475888.db2.gz QMAUWYVDQOYYAE-SMDDNHRTSA-N 2 2 303.233 3.023 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423531217 434476143 /nfs/dbraw/zinc/47/61/43/434476143.db2.gz XXJSIYXXZVETAX-SMDDNHRTSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1Cl ZINC000423522711 434476352 /nfs/dbraw/zinc/47/63/52/434476352.db2.gz RMDWMTOFGHDORQ-ZYHUDNBSSA-N 2 2 303.233 3.023 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353850378 434479300 /nfs/dbraw/zinc/47/93/00/434479300.db2.gz WKNBFKAROWMRGG-ZIFCJYIRSA-N 2 2 312.461 3.087 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353850378 434479312 /nfs/dbraw/zinc/47/93/12/434479312.db2.gz WKNBFKAROWMRGG-ZIFCJYIRSA-N 2 2 312.461 3.087 20 0 DGADLP COCCc1cc[nH+]c(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000353882855 434500255 /nfs/dbraw/zinc/50/02/55/434500255.db2.gz RJFWWMREKRKUEY-KRWDZBQOSA-N 2 2 308.385 3.195 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000359855582 434450054 /nfs/dbraw/zinc/45/00/54/434450054.db2.gz MBEWLZXIZYYYLE-SFHVURJKSA-N 2 2 315.461 3.125 20 0 DGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423492195 434453284 /nfs/dbraw/zinc/45/32/84/434453284.db2.gz MAYLBPJBOIRUDP-PZJWPPBQSA-N 2 2 324.468 3.361 20 0 DGADLP Cc1nc(NC2CC[NH+](C3CCC3)CC2)c2c([nH+]1)CCCC2 ZINC000450874220 434454010 /nfs/dbraw/zinc/45/40/10/434454010.db2.gz FRSGBIWBSOQSRK-UHFFFAOYSA-N 2 2 300.450 3.093 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398126702 434456517 /nfs/dbraw/zinc/45/65/17/434456517.db2.gz RQLZIFDMDSVBRB-QRVBRYPASA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398126702 434456525 /nfs/dbraw/zinc/45/65/25/434456525.db2.gz RQLZIFDMDSVBRB-QRVBRYPASA-N 3 2 303.494 3.003 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423497852 434458288 /nfs/dbraw/zinc/45/82/88/434458288.db2.gz HMOLXIQODCAYOY-ZWKOTPCHSA-N 2 2 302.462 3.188 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)[C@H]1CC[NH3+] ZINC000404313292 434512291 /nfs/dbraw/zinc/51/22/91/434512291.db2.gz XYBIINMQVFPTNL-PWSUYJOCSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)[C@H]1CC[NH3+] ZINC000404313292 434512298 /nfs/dbraw/zinc/51/22/98/434512298.db2.gz XYBIINMQVFPTNL-PWSUYJOCSA-N 2 2 317.296 3.460 20 0 DGADLP Cc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc(C)c1O ZINC000348839043 434521633 /nfs/dbraw/zinc/52/16/33/434521633.db2.gz TZKHEQZCZIZSQD-UHFFFAOYSA-N 2 2 308.385 3.261 20 0 DGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000450994072 434521617 /nfs/dbraw/zinc/52/16/17/434521617.db2.gz XQRQFUZQYMMBCZ-HNNXBMFYSA-N 2 2 308.429 3.346 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2n[nH]cc2c1 ZINC000450994072 434521629 /nfs/dbraw/zinc/52/16/29/434521629.db2.gz XQRQFUZQYMMBCZ-HNNXBMFYSA-N 2 2 308.429 3.346 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000366853174 434522355 /nfs/dbraw/zinc/52/23/55/434522355.db2.gz AZNZWCAQPQKKIR-SZVBFZGTSA-N 2 2 324.472 3.223 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000366853174 434522363 /nfs/dbraw/zinc/52/23/63/434522363.db2.gz AZNZWCAQPQKKIR-SZVBFZGTSA-N 2 2 324.472 3.223 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n(C)n1 ZINC000417781016 434523743 /nfs/dbraw/zinc/52/37/43/434523743.db2.gz JHDDFDOSIHNVIJ-MRXNPFEDSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n(C)n1 ZINC000417781016 434523748 /nfs/dbraw/zinc/52/37/48/434523748.db2.gz JHDDFDOSIHNVIJ-MRXNPFEDSA-N 2 2 323.444 3.051 20 0 DGADLP C[C@H](CCNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccccc1 ZINC000348847380 434527559 /nfs/dbraw/zinc/52/75/59/434527559.db2.gz JPGFGSMHJJRUHB-MRXNPFEDSA-N 2 2 306.413 3.932 20 0 DGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000417812560 434527945 /nfs/dbraw/zinc/52/79/45/434527945.db2.gz OPUMITPWMOCZPZ-MRXNPFEDSA-N 2 2 305.809 3.210 20 0 DGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000417812560 434527951 /nfs/dbraw/zinc/52/79/51/434527951.db2.gz OPUMITPWMOCZPZ-MRXNPFEDSA-N 2 2 305.809 3.210 20 0 DGADLP CC[C@H](C[NH2+]Cc1cnccc1C)[N@@H+]1CCc2ccccc2C1 ZINC000353928201 434531107 /nfs/dbraw/zinc/53/11/07/434531107.db2.gz BVHCGVYNOWICKV-HXUWFJFHSA-N 2 2 309.457 3.317 20 0 DGADLP CC[C@H](C[NH2+]Cc1cnccc1C)[N@H+]1CCc2ccccc2C1 ZINC000353928201 434531110 /nfs/dbraw/zinc/53/11/10/434531110.db2.gz BVHCGVYNOWICKV-HXUWFJFHSA-N 2 2 309.457 3.317 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947555 434542208 /nfs/dbraw/zinc/54/22/08/434542208.db2.gz ZSRCLJMHKHXEGG-YJBOKZPZSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947555 434542209 /nfs/dbraw/zinc/54/22/09/434542209.db2.gz ZSRCLJMHKHXEGG-YJBOKZPZSA-N 2 2 304.503 3.382 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1Cl ZINC000451068569 434552571 /nfs/dbraw/zinc/55/25/71/434552571.db2.gz IVZIIFVZIIRADP-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1Cl ZINC000451068569 434552577 /nfs/dbraw/zinc/55/25/77/434552577.db2.gz IVZIIFVZIIRADP-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1Cl ZINC000451068569 434552584 /nfs/dbraw/zinc/55/25/84/434552584.db2.gz IVZIIFVZIIRADP-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1Cl ZINC000451068569 434552589 /nfs/dbraw/zinc/55/25/89/434552589.db2.gz IVZIIFVZIIRADP-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988845 434558497 /nfs/dbraw/zinc/55/84/97/434558497.db2.gz YHTMEWVRBHOSOU-PMACEKPBSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353988845 434558503 /nfs/dbraw/zinc/55/85/03/434558503.db2.gz YHTMEWVRBHOSOU-PMACEKPBSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@H]1CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353988845 434558505 /nfs/dbraw/zinc/55/85/05/434558505.db2.gz YHTMEWVRBHOSOU-PMACEKPBSA-N 2 2 315.505 3.115 20 0 DGADLP CCC[NH+]1CCC[C@H]1CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353988845 434558511 /nfs/dbraw/zinc/55/85/11/434558511.db2.gz YHTMEWVRBHOSOU-PMACEKPBSA-N 2 2 315.505 3.115 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC000269048783 295008389 /nfs/dbraw/zinc/00/83/89/295008389.db2.gz VNQUEBLVQOHXGQ-NWDGAFQWSA-N 2 2 314.857 3.348 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802345 295019776 /nfs/dbraw/zinc/01/97/76/295019776.db2.gz BFGJDEMCZBKGNP-YCPHGPKFSA-N 2 2 306.450 3.274 20 0 DGADLP COc1cccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)c1OC ZINC000525987100 295048381 /nfs/dbraw/zinc/04/83/81/295048381.db2.gz XGRANNRSXPJQRT-UHFFFAOYSA-N 2 2 314.429 3.172 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)[nH]1 ZINC000527106229 295078116 /nfs/dbraw/zinc/07/81/16/295078116.db2.gz PNWHMGGLLQEMFU-GFCCVEGCSA-N 2 2 313.430 3.241 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)[nH]1 ZINC000527106229 295078119 /nfs/dbraw/zinc/07/81/19/295078119.db2.gz PNWHMGGLLQEMFU-GFCCVEGCSA-N 2 2 313.430 3.241 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c[nH+]1 ZINC000527219286 295084614 /nfs/dbraw/zinc/08/46/14/295084614.db2.gz BTAQBLICCRBHMA-HNNXBMFYSA-N 2 2 316.367 3.366 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c[nH+]1 ZINC000527219286 295084615 /nfs/dbraw/zinc/08/46/15/295084615.db2.gz BTAQBLICCRBHMA-HNNXBMFYSA-N 2 2 316.367 3.366 20 0 DGADLP Cc1cc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000439129217 434570263 /nfs/dbraw/zinc/57/02/63/434570263.db2.gz QCKWPLQPYHJJHC-KSSFIOAISA-N 2 2 310.445 3.188 20 0 DGADLP Cc1cc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000439129214 434571101 /nfs/dbraw/zinc/57/11/01/434571101.db2.gz QCKWPLQPYHJJHC-KBXCAEBGSA-N 2 2 310.445 3.188 20 0 DGADLP Cc1cc(NC(=O)[C@@H]([NH3+])C2CCC2)ccc1Oc1cc[nH+]cc1 ZINC000423895310 434571516 /nfs/dbraw/zinc/57/15/16/434571516.db2.gz CBXATLJIVHWSQT-KRWDZBQOSA-N 2 2 311.385 3.248 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672271 295113493 /nfs/dbraw/zinc/11/34/93/295113493.db2.gz GMSHLZOFWQMAAX-SKDRFNHKSA-N 2 2 304.381 3.339 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672271 295113495 /nfs/dbraw/zinc/11/34/95/295113495.db2.gz GMSHLZOFWQMAAX-SKDRFNHKSA-N 2 2 304.381 3.339 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ncc(Br)cc1F ZINC000527688715 295115760 /nfs/dbraw/zinc/11/57/60/295115760.db2.gz XPIUGKQHENTSQE-UHFFFAOYSA-N 2 2 324.197 3.019 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)cc1 ZINC000527788331 295130404 /nfs/dbraw/zinc/13/04/04/295130404.db2.gz GBCYFLIGQRHKKR-UHFFFAOYSA-N 2 2 320.864 3.073 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000527865430 295142925 /nfs/dbraw/zinc/14/29/25/295142925.db2.gz GWOPTMKGKLLUQR-MRXNPFEDSA-N 2 2 303.450 3.039 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000527893714 295146559 /nfs/dbraw/zinc/14/65/59/295146559.db2.gz FIAPOUCITUOIER-JKSUJKDBSA-N 2 2 303.450 3.181 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000527893714 295146560 /nfs/dbraw/zinc/14/65/60/295146560.db2.gz FIAPOUCITUOIER-JKSUJKDBSA-N 2 2 303.450 3.181 20 0 DGADLP c1coc([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N2CCCCC2)c1 ZINC000459366657 434568787 /nfs/dbraw/zinc/56/87/87/434568787.db2.gz LHSPBPRUSNAGHZ-SFHVURJKSA-N 2 2 317.477 3.023 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423258652 295182889 /nfs/dbraw/zinc/18/28/89/295182889.db2.gz CFXCZCDBOOBIBQ-SUMWQHHRSA-N 2 2 306.450 3.262 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccnc2C(F)(F)F)CC1 ZINC000528369351 295204123 /nfs/dbraw/zinc/20/41/23/295204123.db2.gz UZLNJXDQHAFINS-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccnc2C(F)(F)F)CC1 ZINC000528369351 295204124 /nfs/dbraw/zinc/20/41/24/295204124.db2.gz UZLNJXDQHAFINS-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000459413695 434581293 /nfs/dbraw/zinc/58/12/93/434581293.db2.gz USTZJKGZJWDBHT-UHFFFAOYSA-N 2 2 317.383 3.420 20 0 DGADLP COCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000528578391 295228270 /nfs/dbraw/zinc/22/82/70/295228270.db2.gz WMPFPKKEFMXGCJ-UHFFFAOYSA-N 2 2 313.445 3.429 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591665 295229368 /nfs/dbraw/zinc/22/93/68/295229368.db2.gz IKKLGILASNTIRF-INIZCTEOSA-N 2 2 316.493 3.007 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591665 295229370 /nfs/dbraw/zinc/22/93/70/295229370.db2.gz IKKLGILASNTIRF-INIZCTEOSA-N 2 2 316.493 3.007 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591665 295229372 /nfs/dbraw/zinc/22/93/72/295229372.db2.gz IKKLGILASNTIRF-INIZCTEOSA-N 2 2 316.493 3.007 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591665 295229376 /nfs/dbraw/zinc/22/93/76/295229376.db2.gz IKKLGILASNTIRF-INIZCTEOSA-N 2 2 316.493 3.007 20 0 DGADLP Cc1cc(NC(=O)[C@]2(C)CC[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000423909115 434575171 /nfs/dbraw/zinc/57/51/71/434575171.db2.gz PSHPFEYGYQHCRD-GOSISDBHSA-N 2 2 311.385 3.120 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000474043676 295256779 /nfs/dbraw/zinc/25/67/79/295256779.db2.gz ZONXYEWTQQFSRR-VHSSKADRSA-N 2 2 302.462 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000474043676 295256780 /nfs/dbraw/zinc/25/67/80/295256780.db2.gz ZONXYEWTQQFSRR-VHSSKADRSA-N 2 2 302.462 3.490 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000459502719 434589717 /nfs/dbraw/zinc/58/97/17/434589717.db2.gz DPHSIXIKAZXDSY-UHFFFAOYSA-N 2 2 319.399 3.196 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447599635 295337128 /nfs/dbraw/zinc/33/71/28/295337128.db2.gz KFUOJUXMNZBLHW-YJBOKZPZSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447599635 295337132 /nfs/dbraw/zinc/33/71/32/295337132.db2.gz KFUOJUXMNZBLHW-YJBOKZPZSA-N 2 2 300.446 3.289 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087453 434612555 /nfs/dbraw/zinc/61/25/55/434612555.db2.gz AOCZIDLCBMZYGA-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087453 434612563 /nfs/dbraw/zinc/61/25/63/434612563.db2.gz AOCZIDLCBMZYGA-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087453 434612567 /nfs/dbraw/zinc/61/25/67/434612567.db2.gz AOCZIDLCBMZYGA-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087453 434612574 /nfs/dbraw/zinc/61/25/74/434612574.db2.gz AOCZIDLCBMZYGA-MRXNPFEDSA-N 2 2 306.498 3.029 20 0 DGADLP CC(C)[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000354090021 434613807 /nfs/dbraw/zinc/61/38/07/434613807.db2.gz HKJNRKNSBHWVIW-KRWDZBQOSA-N 2 2 302.397 3.405 20 0 DGADLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000360496506 434619278 /nfs/dbraw/zinc/61/92/78/434619278.db2.gz UAHPOAQFSFKWCE-UHFFFAOYSA-N 2 2 323.484 3.495 20 0 DGADLP CC(C)n1cncc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000424143564 434633185 /nfs/dbraw/zinc/63/31/85/434633185.db2.gz ZSTKIJFOUYWRBF-UHFFFAOYSA-N 2 2 323.444 3.041 20 0 DGADLP COCC1(C)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000459622365 434637083 /nfs/dbraw/zinc/63/70/83/434637083.db2.gz NLPNSDQHCRKSIZ-UHFFFAOYSA-N 2 2 304.478 3.113 20 0 DGADLP COCC1(C)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000459622365 434637089 /nfs/dbraw/zinc/63/70/89/434637089.db2.gz NLPNSDQHCRKSIZ-UHFFFAOYSA-N 2 2 304.478 3.113 20 0 DGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424157028 434638810 /nfs/dbraw/zinc/63/88/10/434638810.db2.gz OXEJRVAZBZWURF-IYBDPMFKSA-N 2 2 306.498 3.310 20 0 DGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424157028 434638815 /nfs/dbraw/zinc/63/88/15/434638815.db2.gz OXEJRVAZBZWURF-IYBDPMFKSA-N 2 2 306.498 3.310 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447818 434602737 /nfs/dbraw/zinc/60/27/37/434602737.db2.gz AHKPMUDWWALIPK-PBHICJAKSA-N 2 2 317.477 3.382 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000409447818 434602743 /nfs/dbraw/zinc/60/27/43/434602743.db2.gz AHKPMUDWWALIPK-PBHICJAKSA-N 2 2 317.477 3.382 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](c2cccnc2)C(C)(C)CO)c[nH+]1 ZINC000354073151 434603890 /nfs/dbraw/zinc/60/38/90/434603890.db2.gz MQHPVIGHBFUMSD-GOSISDBHSA-N 2 2 313.445 3.067 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000424328672 434700268 /nfs/dbraw/zinc/70/02/68/434700268.db2.gz FKSZDSVEYGQZQJ-QRVBRYPASA-N 2 2 323.440 3.226 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccn(C)n1 ZINC000459753605 434697192 /nfs/dbraw/zinc/69/71/92/434697192.db2.gz NLHPZUUPNUAQMX-VYDXJSESSA-N 2 2 304.482 3.114 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH+]1 ZINC000354160814 434647901 /nfs/dbraw/zinc/64/79/01/434647901.db2.gz ZDPOZLWQHQOTFZ-VQIMIIECSA-N 3 2 303.494 3.423 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167623 434653790 /nfs/dbraw/zinc/65/37/90/434653790.db2.gz SIMMLQRVAWHHOJ-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167623 434653796 /nfs/dbraw/zinc/65/37/96/434653796.db2.gz SIMMLQRVAWHHOJ-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167623 434653803 /nfs/dbraw/zinc/65/38/03/434653803.db2.gz SIMMLQRVAWHHOJ-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000354167623 434653806 /nfs/dbraw/zinc/65/38/06/434653806.db2.gz SIMMLQRVAWHHOJ-QGZVFWFLSA-N 2 2 316.474 3.056 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178594 434657273 /nfs/dbraw/zinc/65/72/73/434657273.db2.gz WZBVXBPKQMDKBZ-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178594 434657281 /nfs/dbraw/zinc/65/72/81/434657281.db2.gz WZBVXBPKQMDKBZ-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178594 434657291 /nfs/dbraw/zinc/65/72/91/434657291.db2.gz WZBVXBPKQMDKBZ-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)C2)C1 ZINC000354178594 434657297 /nfs/dbraw/zinc/65/72/97/434657297.db2.gz WZBVXBPKQMDKBZ-SFHVURJKSA-N 2 2 301.409 3.225 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000424282798 434675186 /nfs/dbraw/zinc/67/51/86/434675186.db2.gz AOCKZYACBMCHAW-VXGBXAGGSA-N 2 2 319.193 3.087 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224717 434676583 /nfs/dbraw/zinc/67/65/83/434676583.db2.gz OWDVPRGCKQPMTA-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224717 434676590 /nfs/dbraw/zinc/67/65/90/434676590.db2.gz OWDVPRGCKQPMTA-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224717 434676593 /nfs/dbraw/zinc/67/65/93/434676593.db2.gz OWDVPRGCKQPMTA-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(C)=O)C[C@@H]1C ZINC000354224717 434676603 /nfs/dbraw/zinc/67/66/03/434676603.db2.gz OWDVPRGCKQPMTA-DOTOQJQBSA-N 2 2 318.461 3.073 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000424286101 434678110 /nfs/dbraw/zinc/67/81/10/434678110.db2.gz GYZIEFYFBDJPMM-IAGOWNOFSA-N 2 2 315.486 3.288 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226056 434678414 /nfs/dbraw/zinc/67/84/14/434678414.db2.gz UYPCEFQUDFXYCJ-ZBFHGGJFSA-N 2 2 312.461 3.243 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226056 434678421 /nfs/dbraw/zinc/67/84/21/434678421.db2.gz UYPCEFQUDFXYCJ-ZBFHGGJFSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226056 434678423 /nfs/dbraw/zinc/67/84/23/434678423.db2.gz UYPCEFQUDFXYCJ-ZBFHGGJFSA-N 2 2 312.461 3.243 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000354226056 434678428 /nfs/dbraw/zinc/67/84/28/434678428.db2.gz UYPCEFQUDFXYCJ-ZBFHGGJFSA-N 2 2 312.461 3.243 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424295111 434683017 /nfs/dbraw/zinc/68/30/17/434683017.db2.gz PSGVKDROXBQFFT-ZOCIIQOWSA-N 2 2 312.461 3.031 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424295111 434683023 /nfs/dbraw/zinc/68/30/23/434683023.db2.gz PSGVKDROXBQFFT-ZOCIIQOWSA-N 2 2 312.461 3.031 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354284486 434704354 /nfs/dbraw/zinc/70/43/54/434704354.db2.gz XEOQHRGXDUZVOD-FUHWJXTLSA-N 3 2 314.477 3.325 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354284485 434704393 /nfs/dbraw/zinc/70/43/93/434704393.db2.gz XEOQHRGXDUZVOD-AEFFLSMTSA-N 3 2 314.477 3.325 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349413886 434708269 /nfs/dbraw/zinc/70/82/69/434708269.db2.gz FXCDWYMFWBRDSG-UHFFFAOYSA-N 3 2 314.477 3.426 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349413886 434708275 /nfs/dbraw/zinc/70/82/75/434708275.db2.gz FXCDWYMFWBRDSG-UHFFFAOYSA-N 3 2 314.477 3.426 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000424376800 434712923 /nfs/dbraw/zinc/71/29/23/434712923.db2.gz PSMDKIHDCUGRGG-LERXQTSPSA-N 2 2 312.841 3.278 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c[nH+]1 ZINC000354346287 434730453 /nfs/dbraw/zinc/73/04/53/434730453.db2.gz HAHMNLWENQNKMH-AWEZNQCLSA-N 2 2 312.417 3.164 20 0 DGADLP Cc1nc(NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc[nH+]1 ZINC000360952378 434741956 /nfs/dbraw/zinc/74/19/56/434741956.db2.gz ZNSJSIQILXCOIR-HZPDHXFCSA-N 2 2 324.472 3.297 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000360994280 434757061 /nfs/dbraw/zinc/75/70/61/434757061.db2.gz COHGDFDSKFPIDY-GOSISDBHSA-N 2 2 302.462 3.018 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000360994280 434757064 /nfs/dbraw/zinc/75/70/64/434757064.db2.gz COHGDFDSKFPIDY-GOSISDBHSA-N 2 2 302.462 3.018 20 0 DGADLP CO[C@@H](CC(C)C)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000419274622 434761373 /nfs/dbraw/zinc/76/13/73/434761373.db2.gz BVWZHLXNHVAHMX-HNNXBMFYSA-N 2 2 324.431 3.396 20 0 DGADLP CO[C@@H](CC(C)C)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000419274622 434761378 /nfs/dbraw/zinc/76/13/78/434761378.db2.gz BVWZHLXNHVAHMX-HNNXBMFYSA-N 2 2 324.431 3.396 20 0 DGADLP Cc1csc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361057084 434780137 /nfs/dbraw/zinc/78/01/37/434780137.db2.gz KCPBRMAWXSYLPJ-UHFFFAOYSA-N 2 2 304.463 3.340 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361028498 434771542 /nfs/dbraw/zinc/77/15/42/434771542.db2.gz CTFOHSDGRHYDDX-SQGPQFPESA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361028498 434771546 /nfs/dbraw/zinc/77/15/46/434771546.db2.gz CTFOHSDGRHYDDX-SQGPQFPESA-N 2 2 309.457 3.123 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424725176 434788381 /nfs/dbraw/zinc/78/83/81/434788381.db2.gz RNGCZWRZCMQMLT-UHFFFAOYSA-N 2 2 301.369 3.007 20 0 DGADLP CC[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C(=O)OC ZINC000411440592 434780679 /nfs/dbraw/zinc/78/06/79/434780679.db2.gz OLZRWEAGXVDSTE-LJQANCHMSA-N 2 2 318.461 3.104 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000453094374 434799827 /nfs/dbraw/zinc/79/98/27/434799827.db2.gz RSANPJMXYOOOCX-ROUUACIJSA-N 2 2 322.880 3.116 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1cncs1 ZINC000411549813 434801542 /nfs/dbraw/zinc/80/15/42/434801542.db2.gz IALGUMBQMKYPDE-GOSISDBHSA-N 2 2 317.502 3.432 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1cncs1 ZINC000411549813 434801546 /nfs/dbraw/zinc/80/15/46/434801546.db2.gz IALGUMBQMKYPDE-GOSISDBHSA-N 2 2 317.502 3.432 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108083 434797071 /nfs/dbraw/zinc/79/70/71/434797071.db2.gz RJPGJHWOAOYDHH-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108083 434797074 /nfs/dbraw/zinc/79/70/74/434797074.db2.gz RJPGJHWOAOYDHH-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108083 434797077 /nfs/dbraw/zinc/79/70/77/434797077.db2.gz RJPGJHWOAOYDHH-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)[C@H]2C1 ZINC000361108083 434797080 /nfs/dbraw/zinc/79/70/80/434797080.db2.gz RJPGJHWOAOYDHH-GUYCJALGSA-N 2 2 315.848 3.414 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccncn1 ZINC000453111362 434805173 /nfs/dbraw/zinc/80/51/73/434805173.db2.gz DTEVUEMPAHUMRO-HOTGVXAUSA-N 2 2 310.445 3.353 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000361135738 434808782 /nfs/dbraw/zinc/80/87/82/434808782.db2.gz IUPJFEQGBJINQR-BBWFWOEESA-N 2 2 324.509 3.066 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCCc1cccnc1)CCC2 ZINC000453127881 434810107 /nfs/dbraw/zinc/81/01/07/434810107.db2.gz WQAPKPFNVWFCOG-CRAIPNDOSA-N 2 2 312.461 3.465 20 0 DGADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccncn1 ZINC000453141615 434813531 /nfs/dbraw/zinc/81/35/31/434813531.db2.gz LFSCCAADLACVBP-ULQDDVLXSA-N 2 2 324.472 3.284 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2ncco2)cc1F ZINC000411675279 434816289 /nfs/dbraw/zinc/81/62/89/434816289.db2.gz QHTUBQHQJIBZFQ-UHFFFAOYSA-N 2 2 317.408 3.398 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2ncco2)cc1F ZINC000411675279 434816296 /nfs/dbraw/zinc/81/62/96/434816296.db2.gz QHTUBQHQJIBZFQ-UHFFFAOYSA-N 2 2 317.408 3.398 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361187772 434824063 /nfs/dbraw/zinc/82/40/63/434824063.db2.gz JHMONAQMQAWTKE-JMSVASOKSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361187772 434824066 /nfs/dbraw/zinc/82/40/66/434824066.db2.gz JHMONAQMQAWTKE-JMSVASOKSA-N 2 2 308.372 3.005 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOc2c(F)ccc(F)c21 ZINC000361188884 434825819 /nfs/dbraw/zinc/82/58/19/434825819.db2.gz UMYQBJXCEUHABT-HKCMKHECSA-N 2 2 310.388 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOc2c(F)ccc(F)c21 ZINC000361188884 434825821 /nfs/dbraw/zinc/82/58/21/434825821.db2.gz UMYQBJXCEUHABT-HKCMKHECSA-N 2 2 310.388 3.107 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247187 434839684 /nfs/dbraw/zinc/83/96/84/434839684.db2.gz DNCKMHDQSIIGPS-UZLBHIALSA-N 2 2 316.489 3.063 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc2c(c1)CCCC2 ZINC000453247187 434839688 /nfs/dbraw/zinc/83/96/88/434839688.db2.gz DNCKMHDQSIIGPS-UZLBHIALSA-N 2 2 316.489 3.063 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(F)F ZINC000453251396 434839989 /nfs/dbraw/zinc/83/99/89/434839989.db2.gz TVEFUFCGTSAACH-WFASDCNBSA-N 2 2 300.393 3.321 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1C ZINC000453253679 434841450 /nfs/dbraw/zinc/84/14/50/434841450.db2.gz CWKKRRXRQKCUPK-QZTJIDSGSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1C ZINC000453253679 434841452 /nfs/dbraw/zinc/84/14/52/434841452.db2.gz CWKKRRXRQKCUPK-QZTJIDSGSA-N 2 2 304.478 3.109 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000453269750 434846708 /nfs/dbraw/zinc/84/67/08/434846708.db2.gz RSSYNLPLPZMGGU-KBXCAEBGSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000453269750 434846709 /nfs/dbraw/zinc/84/67/09/434846709.db2.gz RSSYNLPLPZMGGU-KBXCAEBGSA-N 2 2 322.880 3.154 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000553315812 434886246 /nfs/dbraw/zinc/88/62/46/434886246.db2.gz ANWKEWFMCMOYQF-MRXNPFEDSA-N 2 2 319.468 3.246 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000553315812 434886248 /nfs/dbraw/zinc/88/62/48/434886248.db2.gz ANWKEWFMCMOYQF-MRXNPFEDSA-N 2 2 319.468 3.246 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000553315811 434886562 /nfs/dbraw/zinc/88/65/62/434886562.db2.gz ANWKEWFMCMOYQF-INIZCTEOSA-N 2 2 319.468 3.246 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000553315811 434886567 /nfs/dbraw/zinc/88/65/67/434886567.db2.gz ANWKEWFMCMOYQF-INIZCTEOSA-N 2 2 319.468 3.246 20 0 DGADLP COc1cc2c(cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)O[C@H](C)C2 ZINC000573437273 434898951 /nfs/dbraw/zinc/89/89/51/434898951.db2.gz ZDOBQEOPERZGFV-NXOUGTEYSA-N 2 2 324.424 3.253 20 0 DGADLP c1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2s1 ZINC000462122521 434900565 /nfs/dbraw/zinc/90/05/65/434900565.db2.gz KWWZKEAXHBKSOG-OAHLLOKOSA-N 2 2 309.438 3.405 20 0 DGADLP c1cc2[nH+]ccc(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2s1 ZINC000462122521 434900569 /nfs/dbraw/zinc/90/05/69/434900569.db2.gz KWWZKEAXHBKSOG-OAHLLOKOSA-N 2 2 309.438 3.405 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000554088304 434911738 /nfs/dbraw/zinc/91/17/38/434911738.db2.gz JOFAMYWFJDAQOK-ZOODHJKOSA-N 2 2 300.368 3.491 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000554072870 434912235 /nfs/dbraw/zinc/91/22/35/434912235.db2.gz UVFDSMZMOOLICH-IUODEOHRSA-N 2 2 314.832 3.098 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000554072870 434912239 /nfs/dbraw/zinc/91/22/39/434912239.db2.gz UVFDSMZMOOLICH-IUODEOHRSA-N 2 2 314.832 3.098 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119450 434871292 /nfs/dbraw/zinc/87/12/92/434871292.db2.gz FLSHFQHQAUSSGA-UXHICEINSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000521119450 434871296 /nfs/dbraw/zinc/87/12/96/434871296.db2.gz FLSHFQHQAUSSGA-UXHICEINSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000521119450 434871300 /nfs/dbraw/zinc/87/13/00/434871300.db2.gz FLSHFQHQAUSSGA-UXHICEINSA-N 2 2 316.489 3.402 20 0 DGADLP CC(C)c1ccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521119450 434871303 /nfs/dbraw/zinc/87/13/03/434871303.db2.gz FLSHFQHQAUSSGA-UXHICEINSA-N 2 2 316.489 3.402 20 0 DGADLP O=C(/C=C\c1cccc(F)c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491859427 434871785 /nfs/dbraw/zinc/87/17/85/434871785.db2.gz NCRPREYOXZDZPV-PLNGDYQASA-N 2 2 308.316 3.058 20 0 DGADLP c1cc2[nH+]ccc(N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2s1 ZINC000462942248 434937014 /nfs/dbraw/zinc/93/70/14/434937014.db2.gz KPYHEYSIQDAAJE-AWEZNQCLSA-N 2 2 301.459 3.395 20 0 DGADLP c1cc2[nH+]ccc(N[C@H]3CC[N@H+](CC4CCCC4)C3)c2s1 ZINC000462942248 434937018 /nfs/dbraw/zinc/93/70/18/434937018.db2.gz KPYHEYSIQDAAJE-AWEZNQCLSA-N 2 2 301.459 3.395 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000554724683 434945507 /nfs/dbraw/zinc/94/55/07/434945507.db2.gz SFQPWZJLLWWHSR-BLLLJJGKSA-N 2 2 323.278 3.368 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000554724683 434945509 /nfs/dbraw/zinc/94/55/09/434945509.db2.gz SFQPWZJLLWWHSR-BLLLJJGKSA-N 2 2 323.278 3.368 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000574096726 434949665 /nfs/dbraw/zinc/94/96/65/434949665.db2.gz HADTZQIKHQBDLN-KRWDZBQOSA-N 2 2 323.362 3.202 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000574096726 434949670 /nfs/dbraw/zinc/94/96/70/434949670.db2.gz HADTZQIKHQBDLN-KRWDZBQOSA-N 2 2 323.362 3.202 20 0 DGADLP Cc1ccc(CCC[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c[nH+]1 ZINC000492280062 434950022 /nfs/dbraw/zinc/95/00/22/434950022.db2.gz ZDQKDSOGCAWPNE-HNNXBMFYSA-N 2 2 321.465 3.216 20 0 DGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1c[nH+]c2ccc(C)cn12 ZINC000463521922 434963957 /nfs/dbraw/zinc/96/39/57/434963957.db2.gz ZLWPOVHEXGPUCC-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000492150060 434924771 /nfs/dbraw/zinc/92/47/71/434924771.db2.gz MAWWUHDIKXPZHL-AWEZNQCLSA-N 2 2 321.465 3.073 20 0 DGADLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)cc1O ZINC000637988727 434925052 /nfs/dbraw/zinc/92/50/52/434925052.db2.gz ZHQAILRDRPZUQZ-UHFFFAOYSA-N 2 2 321.808 3.157 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)sn1 ZINC000638384272 435018507 /nfs/dbraw/zinc/01/85/07/435018507.db2.gz CIGSDSKCYJJVFS-UHFFFAOYSA-N 2 2 319.449 3.345 20 0 DGADLP CCC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)OC ZINC000638386436 435019800 /nfs/dbraw/zinc/01/98/00/435019800.db2.gz RDPNMBYVFWTNOZ-GOSISDBHSA-N 2 2 308.441 3.195 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C12CCC2 ZINC000638404340 435024012 /nfs/dbraw/zinc/02/40/12/435024012.db2.gz AMVRVVFJWKSBHZ-HZPDHXFCSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCN(C)C(=O)OC(C)(C)C)c[nH+]1 ZINC000492636821 435027155 /nfs/dbraw/zinc/02/71/55/435027155.db2.gz VIGPLDIIMPIOEB-UHFFFAOYSA-N 2 2 321.465 3.169 20 0 DGADLP CC(C)c1[nH+]c(CNCc2c[nH+]c3n2CCCC3)c2ccccn21 ZINC000574576978 434987791 /nfs/dbraw/zinc/98/77/91/434987791.db2.gz KMRYNSHNPGUFKD-UHFFFAOYSA-N 2 2 323.444 3.280 20 0 DGADLP OCc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000638287784 434998784 /nfs/dbraw/zinc/99/87/84/434998784.db2.gz WLYQRFJNFRBPKG-HXUWFJFHSA-N 2 2 310.441 3.106 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCO3)CC2)cc1 ZINC000638310677 435001240 /nfs/dbraw/zinc/00/12/40/435001240.db2.gz RJAVBXXKENYZGN-GOSISDBHSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000464873816 435007896 /nfs/dbraw/zinc/00/78/96/435007896.db2.gz HYDBQCXVCJXLLF-KZNAEPCWSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000464873816 435007899 /nfs/dbraw/zinc/00/78/99/435007899.db2.gz HYDBQCXVCJXLLF-KZNAEPCWSA-N 2 2 308.510 3.388 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)OC ZINC000638342723 435009191 /nfs/dbraw/zinc/00/91/91/435009191.db2.gz NYGZRVFZUSUJAC-MAUKXSAKSA-N 2 2 301.434 3.082 20 0 DGADLP CC(C)C[C@@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)[NH+](C)C ZINC000638349776 435011206 /nfs/dbraw/zinc/01/12/06/435011206.db2.gz VMFCFACXTUCALQ-HKUYNNGSSA-N 2 2 303.494 3.079 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C(C)(C)C ZINC000638604615 435057982 /nfs/dbraw/zinc/05/79/82/435057982.db2.gz KLOWBPJXYSMPOP-HOTGVXAUSA-N 2 2 321.513 3.382 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638636554 435062766 /nfs/dbraw/zinc/06/27/66/435062766.db2.gz CZGLTFLBCNKRCR-JLAWEPINSA-N 2 2 302.462 3.056 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000638636554 435062770 /nfs/dbraw/zinc/06/27/70/435062770.db2.gz CZGLTFLBCNKRCR-JLAWEPINSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638688587 435070141 /nfs/dbraw/zinc/07/01/41/435070141.db2.gz HBZDEEREOXMOMJ-KSSFIOAISA-N 2 2 321.428 3.408 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@H]1CC1(F)F ZINC000638777886 435087438 /nfs/dbraw/zinc/08/74/38/435087438.db2.gz MJTGOKBEHVSLII-SWLSCSKDSA-N 2 2 324.419 3.068 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000532203559 435147361 /nfs/dbraw/zinc/14/73/61/435147361.db2.gz DKDCISKHZKZDLG-MSOLQXFVSA-N 2 2 304.478 3.311 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000532203559 435147366 /nfs/dbraw/zinc/14/73/66/435147366.db2.gz DKDCISKHZKZDLG-MSOLQXFVSA-N 2 2 304.478 3.311 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811452 435093120 /nfs/dbraw/zinc/09/31/20/435093120.db2.gz AKATZBOVVMHRPM-PXNSSMCTSA-N 2 2 322.456 3.243 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000638811452 435093124 /nfs/dbraw/zinc/09/31/24/435093124.db2.gz AKATZBOVVMHRPM-PXNSSMCTSA-N 2 2 322.456 3.243 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(C3CC3)s1)CCC2 ZINC000531629399 435105962 /nfs/dbraw/zinc/10/59/62/435105962.db2.gz VSIVAOGRKIGZIA-ZDUSSCGKSA-N 2 2 302.447 3.193 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000531684730 435109819 /nfs/dbraw/zinc/10/98/19/435109819.db2.gz ZIXVJVMAYOWTRP-OAHLLOKOSA-N 2 2 317.433 3.340 20 0 DGADLP CC[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765872 435110379 /nfs/dbraw/zinc/11/03/79/435110379.db2.gz QUVSXECVGXSKOV-QUCCMNQESA-N 2 2 316.489 3.367 20 0 DGADLP CC[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000578765872 435110383 /nfs/dbraw/zinc/11/03/83/435110383.db2.gz QUVSXECVGXSKOV-QUCCMNQESA-N 2 2 316.489 3.367 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917176 435117211 /nfs/dbraw/zinc/11/72/11/435117211.db2.gz AXGKBZPUMILNDS-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917176 435117214 /nfs/dbraw/zinc/11/72/14/435117214.db2.gz AXGKBZPUMILNDS-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917176 435117217 /nfs/dbraw/zinc/11/72/17/435117217.db2.gz AXGKBZPUMILNDS-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917176 435117221 /nfs/dbraw/zinc/11/72/21/435117221.db2.gz AXGKBZPUMILNDS-HZPDHXFCSA-N 2 2 312.379 3.317 20 0 DGADLP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969555 435123643 /nfs/dbraw/zinc/12/36/43/435123643.db2.gz ICOXGVNBVSJCFN-QILLFSRXSA-N 2 2 316.493 3.114 20 0 DGADLP C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969555 435123646 /nfs/dbraw/zinc/12/36/46/435123646.db2.gz ICOXGVNBVSJCFN-QILLFSRXSA-N 2 2 316.493 3.114 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531950281 435129260 /nfs/dbraw/zinc/12/92/60/435129260.db2.gz DCHCPJMZSHIKKT-XYJFISCASA-N 2 2 302.462 3.143 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531950281 435129263 /nfs/dbraw/zinc/12/92/63/435129263.db2.gz DCHCPJMZSHIKKT-XYJFISCASA-N 2 2 302.462 3.143 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000470016507 435132652 /nfs/dbraw/zinc/13/26/52/435132652.db2.gz UXDMDAOYZHHLQI-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000470016507 435132655 /nfs/dbraw/zinc/13/26/55/435132655.db2.gz UXDMDAOYZHHLQI-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC[C@H]1CCO1 ZINC000639051916 435136341 /nfs/dbraw/zinc/13/63/41/435136341.db2.gz ARQSGKMNPYLTJA-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC[C@H]1CCO1 ZINC000639051916 435136345 /nfs/dbraw/zinc/13/63/45/435136345.db2.gz ARQSGKMNPYLTJA-RBUKOAKNSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052867 435136689 /nfs/dbraw/zinc/13/66/89/435136689.db2.gz ZQKGNRVSTZOYOY-KSSFIOAISA-N 2 2 313.420 3.018 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052867 435136693 /nfs/dbraw/zinc/13/66/93/435136693.db2.gz ZQKGNRVSTZOYOY-KSSFIOAISA-N 2 2 313.420 3.018 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@@H+]1C ZINC000532219405 435150443 /nfs/dbraw/zinc/15/04/43/435150443.db2.gz VLMWPCJAVHRZCY-RDJZCZTQSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC[N@H+]1C ZINC000532219405 435150447 /nfs/dbraw/zinc/15/04/47/435150447.db2.gz VLMWPCJAVHRZCY-RDJZCZTQSA-N 2 2 317.477 3.365 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000639061115 435140701 /nfs/dbraw/zinc/14/07/01/435140701.db2.gz MZZSTJZYKROCQJ-UUKMXZOPSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000639061115 435140703 /nfs/dbraw/zinc/14/07/03/435140703.db2.gz MZZSTJZYKROCQJ-UUKMXZOPSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000579286496 435143899 /nfs/dbraw/zinc/14/38/99/435143899.db2.gz JWZAYVHYPBPPPX-IBGZPJMESA-N 2 2 320.440 3.435 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000579286372 435144572 /nfs/dbraw/zinc/14/45/72/435144572.db2.gz CSYUNYMROYCTSM-UHFFFAOYSA-N 2 2 322.346 3.150 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000579286372 435144576 /nfs/dbraw/zinc/14/45/76/435144576.db2.gz CSYUNYMROYCTSM-UHFFFAOYSA-N 2 2 322.346 3.150 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000474045901 435144712 /nfs/dbraw/zinc/14/47/12/435144712.db2.gz QDRPYMPRRHMRTJ-FASAQXTFSA-N 2 2 314.473 3.490 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000474045901 435144715 /nfs/dbraw/zinc/14/47/15/435144715.db2.gz QDRPYMPRRHMRTJ-FASAQXTFSA-N 2 2 314.473 3.490 20 0 DGADLP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1)C(C)C ZINC000560698455 435187478 /nfs/dbraw/zinc/18/74/78/435187478.db2.gz LAQBZOWMXNKYIB-CQSZACIVSA-N 2 2 314.433 3.131 20 0 DGADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1)C(C)C ZINC000560698455 435187483 /nfs/dbraw/zinc/18/74/83/435187483.db2.gz LAQBZOWMXNKYIB-CQSZACIVSA-N 2 2 314.433 3.131 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000493765873 435190526 /nfs/dbraw/zinc/19/05/26/435190526.db2.gz NLJVQZMGNHRHOB-BHPKHCPMSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000493765873 435190530 /nfs/dbraw/zinc/19/05/30/435190530.db2.gz NLJVQZMGNHRHOB-BHPKHCPMSA-N 2 2 304.400 3.427 20 0 DGADLP Brc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579952932 435195463 /nfs/dbraw/zinc/19/54/63/435195463.db2.gz WENDAWQBXKLWEV-HNNXBMFYSA-N 2 2 309.251 3.025 20 0 DGADLP Brc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579952932 435195468 /nfs/dbraw/zinc/19/54/68/435195468.db2.gz WENDAWQBXKLWEV-HNNXBMFYSA-N 2 2 309.251 3.025 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203240 435196751 /nfs/dbraw/zinc/19/67/51/435196751.db2.gz IIBRSMHUFOHBCZ-SFHVURJKSA-N 2 2 317.383 3.041 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203240 435196756 /nfs/dbraw/zinc/19/67/56/435196756.db2.gz IIBRSMHUFOHBCZ-SFHVURJKSA-N 2 2 317.383 3.041 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203240 435196761 /nfs/dbraw/zinc/19/67/61/435196761.db2.gz IIBRSMHUFOHBCZ-SFHVURJKSA-N 2 2 317.383 3.041 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203240 435196766 /nfs/dbraw/zinc/19/67/66/435196766.db2.gz IIBRSMHUFOHBCZ-SFHVURJKSA-N 2 2 317.383 3.041 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]CCC[C@@H]1CCO1 ZINC000639216355 435202489 /nfs/dbraw/zinc/20/24/89/435202489.db2.gz USIUOHGPSNJUOV-CYBMUJFWSA-N 2 2 305.809 3.184 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025391 435205336 /nfs/dbraw/zinc/20/53/36/435205336.db2.gz IHXXUCDPIRBTOM-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025391 435205340 /nfs/dbraw/zinc/20/53/40/435205340.db2.gz IHXXUCDPIRBTOM-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025391 435205343 /nfs/dbraw/zinc/20/53/43/435205343.db2.gz IHXXUCDPIRBTOM-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CC[C@@H]21 ZINC000533025391 435205347 /nfs/dbraw/zinc/20/53/47/435205347.db2.gz IHXXUCDPIRBTOM-OALUTQOASA-N 2 2 322.456 3.060 20 0 DGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)cc(F)c1 ZINC000560145989 435151675 /nfs/dbraw/zinc/15/16/75/435151675.db2.gz IGGMJIQWTSYGFI-GFCCVEGCSA-N 2 2 305.372 3.391 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161763 435151917 /nfs/dbraw/zinc/15/19/17/435151917.db2.gz BOLONKSQUWPEPL-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161763 435151921 /nfs/dbraw/zinc/15/19/21/435151921.db2.gz BOLONKSQUWPEPL-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560161763 435151925 /nfs/dbraw/zinc/15/19/25/435151925.db2.gz BOLONKSQUWPEPL-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560161763 435151928 /nfs/dbraw/zinc/15/19/28/435151928.db2.gz BOLONKSQUWPEPL-DFQSSKMNSA-N 2 2 316.489 3.398 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000474599794 435152255 /nfs/dbraw/zinc/15/22/55/435152255.db2.gz FQCBGCQAXCVRNE-XHSDSOJGSA-N 2 2 319.493 3.290 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000474599788 435152948 /nfs/dbraw/zinc/15/29/48/435152948.db2.gz FQCBGCQAXCVRNE-ARFHVFGLSA-N 2 2 319.493 3.290 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000474705047 435157360 /nfs/dbraw/zinc/15/73/60/435157360.db2.gz BUEGUOSZCFMMPF-TVRKMHQQSA-N 2 2 324.509 3.353 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000474705047 435157362 /nfs/dbraw/zinc/15/73/62/435157362.db2.gz BUEGUOSZCFMMPF-TVRKMHQQSA-N 2 2 324.509 3.353 20 0 DGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cs1 ZINC000579488858 435159452 /nfs/dbraw/zinc/15/94/52/435159452.db2.gz UXDVASXXVAABJX-STQMWFEESA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cs1 ZINC000579488858 435159454 /nfs/dbraw/zinc/15/94/54/435159454.db2.gz UXDVASXXVAABJX-STQMWFEESA-N 2 2 317.458 3.130 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000639125130 435164075 /nfs/dbraw/zinc/16/40/75/435164075.db2.gz PMPPYYDSBZEVGM-UHFFFAOYSA-N 2 2 310.445 3.045 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000474883494 435165292 /nfs/dbraw/zinc/16/52/92/435165292.db2.gz PFQHRZVOYDQCJX-MJGOQNOKSA-N 2 2 304.478 3.127 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)C1CCOCC1)[NH+](C)C ZINC000475091563 435176284 /nfs/dbraw/zinc/17/62/84/435176284.db2.gz JDQDWDDCHTVMQV-GJYPPUQNSA-N 2 2 304.478 3.391 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639154662 435177474 /nfs/dbraw/zinc/17/74/74/435177474.db2.gz MVIFUTSNIPOHAC-CYBMUJFWSA-N 2 2 302.447 3.056 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)sn1 ZINC000639154662 435177478 /nfs/dbraw/zinc/17/74/78/435177478.db2.gz MVIFUTSNIPOHAC-CYBMUJFWSA-N 2 2 302.447 3.056 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258329 435215741 /nfs/dbraw/zinc/21/57/41/435215741.db2.gz GJUQXOMQHKJKGC-RIFZZMRRSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258329 435215747 /nfs/dbraw/zinc/21/57/47/435215747.db2.gz GJUQXOMQHKJKGC-RIFZZMRRSA-N 2 2 324.472 3.439 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639261475 435219328 /nfs/dbraw/zinc/21/93/28/435219328.db2.gz KTNSILORGDFDQO-XLIONFOSSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639261475 435219336 /nfs/dbraw/zinc/21/93/36/435219336.db2.gz KTNSILORGDFDQO-XLIONFOSSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000580302248 435221129 /nfs/dbraw/zinc/22/11/29/435221129.db2.gz CDUWDCURUKNQEZ-HNAYVOBHSA-N 2 2 323.440 3.027 20 0 DGADLP COc1ncc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC000533099644 435211080 /nfs/dbraw/zinc/21/10/80/435211080.db2.gz ZWRLSLHRGWPEIT-AWEZNQCLSA-N 2 2 311.857 3.050 20 0 DGADLP COc1ncc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC000533099644 435211085 /nfs/dbraw/zinc/21/10/85/435211085.db2.gz ZWRLSLHRGWPEIT-AWEZNQCLSA-N 2 2 311.857 3.050 20 0 DGADLP COc1ncc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000533099644 435211090 /nfs/dbraw/zinc/21/10/90/435211090.db2.gz ZWRLSLHRGWPEIT-AWEZNQCLSA-N 2 2 311.857 3.050 20 0 DGADLP COc1ncc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000533099644 435211092 /nfs/dbraw/zinc/21/10/92/435211092.db2.gz ZWRLSLHRGWPEIT-AWEZNQCLSA-N 2 2 311.857 3.050 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]1 ZINC000533389973 435231733 /nfs/dbraw/zinc/23/17/33/435231733.db2.gz LKCJUDUVICXZHL-KRWDZBQOSA-N 2 2 319.412 3.246 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]1 ZINC000533389973 435231736 /nfs/dbraw/zinc/23/17/36/435231736.db2.gz LKCJUDUVICXZHL-KRWDZBQOSA-N 2 2 319.412 3.246 20 0 DGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000580423524 435232978 /nfs/dbraw/zinc/23/29/78/435232978.db2.gz XBOIIHKVOBNESD-JXFKEZNVSA-N 2 2 321.424 3.127 20 0 DGADLP COc1cc2cc[nH+]c(NCCc3ccc(C)[nH+]c3)c2cc1F ZINC000582202398 435239361 /nfs/dbraw/zinc/23/93/61/435239361.db2.gz IDJQKNCZMOZWMI-UHFFFAOYSA-N 2 2 311.360 3.741 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086557 435249670 /nfs/dbraw/zinc/24/96/70/435249670.db2.gz IMRUZLLLXDGMEM-TWRYWWQQSA-N 2 2 312.379 3.437 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086557 435249675 /nfs/dbraw/zinc/24/96/75/435249675.db2.gz IMRUZLLLXDGMEM-TWRYWWQQSA-N 2 2 312.379 3.437 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000639374881 435271106 /nfs/dbraw/zinc/27/11/06/435271106.db2.gz MFVQMDMQCAJFLS-UHFFFAOYSA-N 2 2 312.457 3.413 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000639379412 435273737 /nfs/dbraw/zinc/27/37/37/435273737.db2.gz NJLSILLYUOEZMD-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379223 435278957 /nfs/dbraw/zinc/27/89/57/435278957.db2.gz MZURBNAGWPMGDN-LBPRGKRZSA-N 2 2 307.825 3.255 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379223 435278961 /nfs/dbraw/zinc/27/89/61/435278961.db2.gz MZURBNAGWPMGDN-LBPRGKRZSA-N 2 2 307.825 3.255 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379223 435278967 /nfs/dbraw/zinc/27/89/67/435278967.db2.gz MZURBNAGWPMGDN-LBPRGKRZSA-N 2 2 307.825 3.255 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379223 435278973 /nfs/dbraw/zinc/27/89/73/435278973.db2.gz MZURBNAGWPMGDN-LBPRGKRZSA-N 2 2 307.825 3.255 20 0 DGADLP COc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315712 435279662 /nfs/dbraw/zinc/27/96/62/435279662.db2.gz FLBGFNQVQAOCNO-IUODEOHRSA-N 2 2 320.824 3.023 20 0 DGADLP COc1ncc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315712 435279669 /nfs/dbraw/zinc/27/96/69/435279669.db2.gz FLBGFNQVQAOCNO-IUODEOHRSA-N 2 2 320.824 3.023 20 0 DGADLP CC(C)c1nc(N2CCC[C@H]2C[NH+](C)C)cc(C(C)(C)C)[nH+]1 ZINC000477827641 435281043 /nfs/dbraw/zinc/28/10/43/435281043.db2.gz GDOVIZGKYVGLLK-AWEZNQCLSA-N 2 2 304.482 3.428 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)CCO1 ZINC000648385183 435282172 /nfs/dbraw/zinc/28/21/72/435282172.db2.gz HSMITPAMUPUSHP-FUHWJXTLSA-N 2 2 317.477 3.116 20 0 DGADLP CC(C)O[C@H](C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396868 435284989 /nfs/dbraw/zinc/28/49/89/435284989.db2.gz KRTGYWCCMCEEKX-RTBURBONSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000639396868 435284993 /nfs/dbraw/zinc/28/49/93/435284993.db2.gz KRTGYWCCMCEEKX-RTBURBONSA-N 2 2 302.462 3.179 20 0 DGADLP CCOc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1OCC ZINC000639396094 435285066 /nfs/dbraw/zinc/28/50/66/435285066.db2.gz HGWQJHIJMDXFOG-QGZVFWFLSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1OCC ZINC000639396094 435285072 /nfs/dbraw/zinc/28/50/72/435285072.db2.gz HGWQJHIJMDXFOG-QGZVFWFLSA-N 2 2 318.461 3.010 20 0 DGADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1C[NH+]2CCC1CC2 ZINC000639397723 435285893 /nfs/dbraw/zinc/28/58/93/435285893.db2.gz OJESWIPPRRFSDI-KRWDZBQOSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H]1C[NH+]2CCC1CC2 ZINC000639397723 435285895 /nfs/dbraw/zinc/28/58/95/435285895.db2.gz OJESWIPPRRFSDI-KRWDZBQOSA-N 2 2 315.848 3.414 20 0 DGADLP Clc1cnc2oc(C[NH2+]CCCNc3cccc[nH+]3)cc2c1 ZINC000648499252 435322485 /nfs/dbraw/zinc/32/24/85/435322485.db2.gz ZLQBPSZGIRYRON-UHFFFAOYSA-N 2 2 316.792 3.468 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643427463 435323085 /nfs/dbraw/zinc/32/30/85/435323085.db2.gz GAHAWGWCQSNWHY-UHFFFAOYSA-N 2 2 316.779 3.269 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457562 435329307 /nfs/dbraw/zinc/32/93/07/435329307.db2.gz MIRFCIURLKIXKB-AABGKKOBSA-N 3 2 315.505 3.019 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457562 435329309 /nfs/dbraw/zinc/32/93/09/435329309.db2.gz MIRFCIURLKIXKB-AABGKKOBSA-N 3 2 315.505 3.019 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000648529004 435333033 /nfs/dbraw/zinc/33/30/33/435333033.db2.gz XSCLXRJAIIOKFL-ZCNNSNEGSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000648529004 435333039 /nfs/dbraw/zinc/33/30/39/435333039.db2.gz XSCLXRJAIIOKFL-ZCNNSNEGSA-N 2 2 316.489 3.444 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CCO2 ZINC000643482512 435334872 /nfs/dbraw/zinc/33/48/72/435334872.db2.gz VVTASEXZSBFPFJ-COXVUDFISA-N 2 2 304.434 3.029 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000643501013 435335876 /nfs/dbraw/zinc/33/58/76/435335876.db2.gz PFLOFMPRWMFBTB-AAEUAGOBSA-N 2 2 302.340 3.378 20 0 DGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500995 435337567 /nfs/dbraw/zinc/33/75/67/435337567.db2.gz NLXPCWJAUMJRPS-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507358 435339859 /nfs/dbraw/zinc/33/98/59/435339859.db2.gz ARPXGTJFEBRTOV-HXUWFJFHSA-N 2 2 310.441 3.321 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000643526531 435343789 /nfs/dbraw/zinc/34/37/89/435343789.db2.gz AQFGLPXRLIHGLR-MLGOLLRUSA-N 2 2 306.356 3.314 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000643525008 435344752 /nfs/dbraw/zinc/34/47/52/435344752.db2.gz IVSGQHQXZFOCDN-MGPUTAFESA-N 3 2 311.473 3.160 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000643547551 435348445 /nfs/dbraw/zinc/34/84/45/435348445.db2.gz GUMKFGZCESWGPL-WBVHZDCISA-N 2 2 324.472 3.412 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000480050951 435361873 /nfs/dbraw/zinc/36/18/73/435361873.db2.gz YPBNRDPYCPQWPJ-MSOLQXFVSA-N 2 2 304.478 3.311 20 0 DGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000567368166 435311395 /nfs/dbraw/zinc/31/13/95/435311395.db2.gz NTOCQDUNYSQYSN-BHIYHBOVSA-N 2 2 313.445 3.169 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000568178679 435400076 /nfs/dbraw/zinc/40/00/76/435400076.db2.gz VNQNMDYPRBLOHS-GOSISDBHSA-N 2 2 316.489 3.113 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000568178679 435400086 /nfs/dbraw/zinc/40/00/86/435400086.db2.gz VNQNMDYPRBLOHS-GOSISDBHSA-N 2 2 316.489 3.113 20 0 DGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000648728733 435401672 /nfs/dbraw/zinc/40/16/72/435401672.db2.gz MRDFSLYBAFIZQL-CQSZACIVSA-N 2 2 323.400 3.221 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841070 435413425 /nfs/dbraw/zinc/41/34/25/435413425.db2.gz SQNKAVVYJLSPGR-VDGAXYAQSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000536841070 435413430 /nfs/dbraw/zinc/41/34/30/435413430.db2.gz SQNKAVVYJLSPGR-VDGAXYAQSA-N 2 2 316.489 3.180 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639619930 435369244 /nfs/dbraw/zinc/36/92/44/435369244.db2.gz WGDOBFLYKNUERP-UHFFFAOYSA-N 2 2 322.412 3.282 20 0 DGADLP Cc1cc(C)c(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c(C)[nH+]1 ZINC000639621085 435370141 /nfs/dbraw/zinc/37/01/41/435370141.db2.gz MSZPBUPEMZBSKQ-SFHVURJKSA-N 2 2 311.429 3.055 20 0 DGADLP Cc1cc(C)c(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c(C)[nH+]1 ZINC000639621085 435370145 /nfs/dbraw/zinc/37/01/45/435370145.db2.gz MSZPBUPEMZBSKQ-SFHVURJKSA-N 2 2 311.429 3.055 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1Cl ZINC000480259596 435371068 /nfs/dbraw/zinc/37/10/68/435371068.db2.gz OEKZZBSKJCLPME-RBSFLKMASA-N 2 2 310.869 3.490 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000513095975 435376340 /nfs/dbraw/zinc/37/63/40/435376340.db2.gz ROXKDAFVYQMFHF-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000513095975 435376344 /nfs/dbraw/zinc/37/63/44/435376344.db2.gz ROXKDAFVYQMFHF-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H](CCCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674335 435379775 /nfs/dbraw/zinc/37/97/75/435379775.db2.gz QOMNVBZMLTZBCO-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CCCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674335 435379779 /nfs/dbraw/zinc/37/97/79/435379779.db2.gz QOMNVBZMLTZBCO-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000513361821 435383600 /nfs/dbraw/zinc/38/36/00/435383600.db2.gz PNXFWRONKOSEFB-BWPKMQGJSA-N 2 2 322.880 3.130 20 0 DGADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000513361821 435383603 /nfs/dbraw/zinc/38/36/03/435383603.db2.gz PNXFWRONKOSEFB-BWPKMQGJSA-N 2 2 322.880 3.130 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000536573618 435390011 /nfs/dbraw/zinc/39/00/11/435390011.db2.gz GERZLCRGWHSVBE-GOSISDBHSA-N 2 2 323.444 3.305 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000536573618 435390017 /nfs/dbraw/zinc/39/00/17/435390017.db2.gz GERZLCRGWHSVBE-GOSISDBHSA-N 2 2 323.444 3.305 20 0 DGADLP Cc1noc(C2CCC([NH2+]CC(C)(C)[NH+]3CCCCC3)CC2)n1 ZINC000644531638 435448951 /nfs/dbraw/zinc/44/89/51/435448951.db2.gz NUQJDKQXWSMWOK-UHFFFAOYSA-N 2 2 320.481 3.258 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000514971705 435451703 /nfs/dbraw/zinc/45/17/03/435451703.db2.gz CGBGPNKNYBZSJU-RDTXWAMCSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000514971705 435451709 /nfs/dbraw/zinc/45/17/09/435451709.db2.gz CGBGPNKNYBZSJU-RDTXWAMCSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000514971705 435451713 /nfs/dbraw/zinc/45/17/13/435451713.db2.gz CGBGPNKNYBZSJU-RDTXWAMCSA-N 2 2 313.445 3.015 20 0 DGADLP COc1nc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000514971705 435451717 /nfs/dbraw/zinc/45/17/17/435451717.db2.gz CGBGPNKNYBZSJU-RDTXWAMCSA-N 2 2 313.445 3.015 20 0 DGADLP CC[N@H+](CCc1cc[nH+]cc1C)C[C@@H]1COc2ccccc2O1 ZINC000568624241 435453588 /nfs/dbraw/zinc/45/35/88/435453588.db2.gz JDXMYNAQNKSQII-QGZVFWFLSA-N 2 2 312.413 3.094 20 0 DGADLP CC[N@@H+](CCc1cc[nH+]cc1C)C[C@@H]1COc2ccccc2O1 ZINC000568624241 435453592 /nfs/dbraw/zinc/45/35/92/435453592.db2.gz JDXMYNAQNKSQII-QGZVFWFLSA-N 2 2 312.413 3.094 20 0 DGADLP CC(C)C[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000482164402 435454370 /nfs/dbraw/zinc/45/43/70/435454370.db2.gz OQEAONRIOYSHEB-GOSISDBHSA-N 2 2 304.478 3.120 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639909033 435454616 /nfs/dbraw/zinc/45/46/16/435454616.db2.gz AZUXNTXHSMAJBP-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639909033 435454620 /nfs/dbraw/zinc/45/46/20/435454620.db2.gz AZUXNTXHSMAJBP-UHFFFAOYSA-N 2 2 309.335 3.269 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000568643060 435457366 /nfs/dbraw/zinc/45/73/66/435457366.db2.gz ANQBTKRZCVPHNK-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000568643060 435457376 /nfs/dbraw/zinc/45/73/76/435457376.db2.gz ANQBTKRZCVPHNK-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000648815995 435428772 /nfs/dbraw/zinc/42/87/72/435428772.db2.gz JNTWCJVPPSZAJH-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000648815995 435428777 /nfs/dbraw/zinc/42/87/77/435428777.db2.gz JNTWCJVPPSZAJH-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)c2)c[nH+]1 ZINC000568392592 435430873 /nfs/dbraw/zinc/43/08/73/435430873.db2.gz MMCUPLJWRQRRRP-PBHICJAKSA-N 2 2 317.458 3.325 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)c2)c[nH+]1 ZINC000568392592 435430880 /nfs/dbraw/zinc/43/08/80/435430880.db2.gz MMCUPLJWRQRRRP-PBHICJAKSA-N 2 2 317.458 3.325 20 0 DGADLP Cc1ccc(CCC[NH2+]C2(c3noc(C(F)F)n3)CCC2)c[nH+]1 ZINC000644837887 435524210 /nfs/dbraw/zinc/52/42/10/435524210.db2.gz WZEQMYKHHROQBK-UHFFFAOYSA-N 2 2 322.359 3.312 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)c2ccccc21 ZINC000516450530 435530280 /nfs/dbraw/zinc/53/02/80/435530280.db2.gz ZQCMSBSXEYRDCO-OALUTQOASA-N 2 2 322.456 3.306 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000568997500 435491932 /nfs/dbraw/zinc/49/19/32/435491932.db2.gz VCIBHLLFKHFVQA-UHFFFAOYSA-N 2 2 310.401 3.043 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000568997500 435491934 /nfs/dbraw/zinc/49/19/34/435491934.db2.gz VCIBHLLFKHFVQA-UHFFFAOYSA-N 2 2 310.401 3.043 20 0 DGADLP Oc1ccc(CCC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000538361324 435495200 /nfs/dbraw/zinc/49/52/00/435495200.db2.gz VOVHEAJVLLUCOT-UHFFFAOYSA-N 2 2 313.445 3.324 20 0 DGADLP CCC[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000649252161 435549303 /nfs/dbraw/zinc/54/93/03/435549303.db2.gz PMEHVACUSHFSPA-ZDUSSCGKSA-N 2 2 309.417 3.255 20 0 DGADLP CCC[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000649252161 435549307 /nfs/dbraw/zinc/54/93/07/435549307.db2.gz PMEHVACUSHFSPA-ZDUSSCGKSA-N 2 2 309.417 3.255 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766594 435552151 /nfs/dbraw/zinc/55/21/51/435552151.db2.gz ZAWFEWHDSIFSLN-MJGOQNOKSA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766594 435552154 /nfs/dbraw/zinc/55/21/54/435552154.db2.gz ZAWFEWHDSIFSLN-MJGOQNOKSA-N 2 2 311.429 3.263 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c2c1C ZINC000645202392 435591908 /nfs/dbraw/zinc/59/19/08/435591908.db2.gz SHHBPTHDUTZPND-DOTOQJQBSA-N 2 2 321.428 3.432 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2c1C ZINC000645202392 435591910 /nfs/dbraw/zinc/59/19/10/435591910.db2.gz SHHBPTHDUTZPND-DOTOQJQBSA-N 2 2 321.428 3.432 20 0 DGADLP CC(C)[C@@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000516925909 435562508 /nfs/dbraw/zinc/56/25/08/435562508.db2.gz MWTFIBICFZEUJS-DOTOQJQBSA-N 2 2 320.481 3.301 20 0 DGADLP Cc1cc(OCc2cccc(C[NH+]3CCOCC3)c2)cc(C)[nH+]1 ZINC000516920590 435562669 /nfs/dbraw/zinc/56/26/69/435562669.db2.gz ZWXXKTZDZIUIMG-UHFFFAOYSA-N 2 2 312.413 3.110 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649343953 435566593 /nfs/dbraw/zinc/56/65/93/435566593.db2.gz INNMQDIRSAONQL-HALDLXJZSA-N 2 2 324.428 3.015 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H](c3ccsc3)[NH+](C)C)c2c1C ZINC000645116851 435569598 /nfs/dbraw/zinc/56/95/98/435569598.db2.gz WOIAAHYJJZKSFQ-ZDUSSCGKSA-N 2 2 315.446 3.351 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241220 435583799 /nfs/dbraw/zinc/58/37/99/435583799.db2.gz QYLGDIGSIXJJKB-DYVFJYSZSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241220 435583802 /nfs/dbraw/zinc/58/38/02/435583802.db2.gz QYLGDIGSIXJJKB-DYVFJYSZSA-N 2 2 303.381 3.114 20 0 DGADLP CC(C)[N@H+](C)CC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000539185522 435543261 /nfs/dbraw/zinc/54/32/61/435543261.db2.gz DWDRBLJBBPSXGM-UHFFFAOYSA-N 2 2 300.450 3.130 20 0 DGADLP CC(C)[N@@H+](C)CC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000539185522 435543267 /nfs/dbraw/zinc/54/32/67/435543267.db2.gz DWDRBLJBBPSXGM-UHFFFAOYSA-N 2 2 300.450 3.130 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000484518675 435546176 /nfs/dbraw/zinc/54/61/76/435546176.db2.gz OCPJITWCYOTKGP-UHOSZYNNSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000484518675 435546178 /nfs/dbraw/zinc/54/61/78/435546178.db2.gz OCPJITWCYOTKGP-UHOSZYNNSA-N 2 2 304.478 3.300 20 0 DGADLP Fc1ccc2cc(C[NH2+]CCc3cn4ccccc4[nH+]3)[nH]c2c1 ZINC000486698953 435611221 /nfs/dbraw/zinc/61/12/21/435611221.db2.gz JFIAUYKDEQVAQA-UHFFFAOYSA-N 2 2 308.360 3.287 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000540802645 435618235 /nfs/dbraw/zinc/61/82/35/435618235.db2.gz LBWNMBCOHFBLCT-HJOIGYKYSA-N 2 2 302.462 3.350 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000540802645 435618240 /nfs/dbraw/zinc/61/82/40/435618240.db2.gz LBWNMBCOHFBLCT-HJOIGYKYSA-N 2 2 302.462 3.350 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000518156174 435628166 /nfs/dbraw/zinc/62/81/66/435628166.db2.gz ILZWPLYKVMYDCM-HBFSDRIKSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000518156174 435628171 /nfs/dbraw/zinc/62/81/71/435628171.db2.gz ILZWPLYKVMYDCM-HBFSDRIKSA-N 2 2 315.505 3.286 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284876 435595969 /nfs/dbraw/zinc/59/59/69/435595969.db2.gz KSLGHQUOHJTDOH-DOTOQJQBSA-N 2 2 320.440 3.243 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000540284876 435595972 /nfs/dbraw/zinc/59/59/72/435595972.db2.gz KSLGHQUOHJTDOH-DOTOQJQBSA-N 2 2 320.440 3.243 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000570221362 435600687 /nfs/dbraw/zinc/60/06/87/435600687.db2.gz OGWODKOQAJSDSC-LBPRGKRZSA-N 2 2 323.238 3.172 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499189 435653851 /nfs/dbraw/zinc/65/38/51/435653851.db2.gz HDYAQDPLXRZMIS-SJORKVTESA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)(C)O ZINC000645499189 435653855 /nfs/dbraw/zinc/65/38/55/435653855.db2.gz HDYAQDPLXRZMIS-SJORKVTESA-N 2 2 304.478 3.179 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000570965629 435665975 /nfs/dbraw/zinc/66/59/75/435665975.db2.gz LADZHGPRRKHMPD-ROUUACIJSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000570965629 435665978 /nfs/dbraw/zinc/66/59/78/435665978.db2.gz LADZHGPRRKHMPD-ROUUACIJSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000570965624 435666032 /nfs/dbraw/zinc/66/60/32/435666032.db2.gz LADZHGPRRKHMPD-MSOLQXFVSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000570965624 435666036 /nfs/dbraw/zinc/66/60/36/435666036.db2.gz LADZHGPRRKHMPD-MSOLQXFVSA-N 2 2 316.493 3.033 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000520230720 435731044 /nfs/dbraw/zinc/73/10/44/435731044.db2.gz ZYRPWPGLZQSCHF-AZUAARDMSA-N 2 2 322.452 3.404 20 0 DGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000520230720 435731051 /nfs/dbraw/zinc/73/10/51/435731051.db2.gz ZYRPWPGLZQSCHF-AZUAARDMSA-N 2 2 322.452 3.404 20 0 DGADLP CCCC[N@H+](C)C[C@@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000520294086 435733629 /nfs/dbraw/zinc/73/36/29/435733629.db2.gz QWVWDWDCYVLOAZ-CYBMUJFWSA-N 2 2 308.857 3.198 20 0 DGADLP CCCC[N@@H+](C)C[C@@H](C)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000520294086 435733635 /nfs/dbraw/zinc/73/36/35/435733635.db2.gz QWVWDWDCYVLOAZ-CYBMUJFWSA-N 2 2 308.857 3.198 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655703103 435735467 /nfs/dbraw/zinc/73/54/67/435735467.db2.gz AEKKOFPMWAKBOK-UHFFFAOYSA-N 2 2 311.223 3.237 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000655703752 435736066 /nfs/dbraw/zinc/73/60/66/435736066.db2.gz USGDVVNFRGGIQA-RBUKOAKNSA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000655703752 435736071 /nfs/dbraw/zinc/73/60/71/435736071.db2.gz USGDVVNFRGGIQA-RBUKOAKNSA-N 2 2 324.472 3.220 20 0 DGADLP CC1(C)COC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463710 435739284 /nfs/dbraw/zinc/73/92/84/435739284.db2.gz KHFQZIAWYUPSOV-DLBZAZTESA-N 2 2 302.462 3.054 20 0 DGADLP CC1(C)COC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463710 435739293 /nfs/dbraw/zinc/73/92/93/435739293.db2.gz KHFQZIAWYUPSOV-DLBZAZTESA-N 2 2 302.462 3.054 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000655707918 435740376 /nfs/dbraw/zinc/74/03/76/435740376.db2.gz APWFJZNYZGBJFL-UXHICEINSA-N 2 2 314.473 3.371 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000655719860 435747822 /nfs/dbraw/zinc/74/78/22/435747822.db2.gz YYAAYSLHCNOEDZ-YJBOKZPZSA-N 2 2 321.428 3.153 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499428 435748471 /nfs/dbraw/zinc/74/84/71/435748471.db2.gz NQXKHLRRQBDDKQ-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)O1 ZINC000651499428 435748477 /nfs/dbraw/zinc/74/84/77/435748477.db2.gz NQXKHLRRQBDDKQ-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](CCC(C)(F)F)CC1 ZINC000571868742 435749139 /nfs/dbraw/zinc/74/91/39/435749139.db2.gz VZXHVCKEURPJKI-UHFFFAOYSA-N 2 2 314.424 3.017 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](CCC(C)(F)F)CC1 ZINC000571868742 435749146 /nfs/dbraw/zinc/74/91/46/435749146.db2.gz VZXHVCKEURPJKI-UHFFFAOYSA-N 2 2 314.424 3.017 20 0 DGADLP Cc1ccccc1C1CC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655731164 435754986 /nfs/dbraw/zinc/75/49/86/435754986.db2.gz PUFQZRMODZEWKD-NKELODKYSA-N 2 2 314.473 3.084 20 0 DGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000655730769 435755984 /nfs/dbraw/zinc/75/59/84/435755984.db2.gz SYHPEDHZPIGSEM-ZFWWWQNUSA-N 2 2 323.506 3.170 20 0 DGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735362 435758950 /nfs/dbraw/zinc/75/89/50/435758950.db2.gz HWMRLXRQIKVJFM-IEBWSBKVSA-N 2 2 318.436 3.046 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664678143 435760440 /nfs/dbraw/zinc/76/04/40/435760440.db2.gz MUUOXBFXKKUKFD-HNNXBMFYSA-N 2 2 310.445 3.351 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678143 435760447 /nfs/dbraw/zinc/76/04/47/435760447.db2.gz MUUOXBFXKKUKFD-HNNXBMFYSA-N 2 2 310.445 3.351 20 0 DGADLP CC[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000571438748 435706742 /nfs/dbraw/zinc/70/67/42/435706742.db2.gz BBSJSJQIWFFABJ-LLVKDONJSA-N 2 2 317.246 3.061 20 0 DGADLP CC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000571438748 435706746 /nfs/dbraw/zinc/70/67/46/435706746.db2.gz BBSJSJQIWFFABJ-LLVKDONJSA-N 2 2 317.246 3.061 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000571537122 435714516 /nfs/dbraw/zinc/71/45/16/435714516.db2.gz CSWHVGRHKDUWGL-DLBZAZTESA-N 2 2 317.477 3.114 20 0 DGADLP CCCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ncsc2C1 ZINC000646129460 435788800 /nfs/dbraw/zinc/78/88/00/435788800.db2.gz HKHABHNXXLCBQP-OAHLLOKOSA-N 2 2 318.490 3.389 20 0 DGADLP CCCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ncsc2C1 ZINC000646129460 435788805 /nfs/dbraw/zinc/78/88/05/435788805.db2.gz HKHABHNXXLCBQP-OAHLLOKOSA-N 2 2 318.490 3.389 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000651682233 435789632 /nfs/dbraw/zinc/78/96/32/435789632.db2.gz QOXIOMJDBTWNCO-SFHVURJKSA-N 2 2 319.493 3.087 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)n1C ZINC000641705154 435792577 /nfs/dbraw/zinc/79/25/77/435792577.db2.gz LWDQXSZWVMZBPD-JTQLQIEISA-N 2 2 319.359 3.324 20 0 DGADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000641713346 435796541 /nfs/dbraw/zinc/79/65/41/435796541.db2.gz SDGFKNIIBICRLM-IRXDYDNUSA-N 3 2 307.526 3.103 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000550199810 435798145 /nfs/dbraw/zinc/79/81/45/435798145.db2.gz NJVNDEXDDWQQHS-ZWKOTPCHSA-N 2 2 322.493 3.130 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000550199810 435798149 /nfs/dbraw/zinc/79/81/49/435798149.db2.gz NJVNDEXDDWQQHS-ZWKOTPCHSA-N 2 2 322.493 3.130 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1OC ZINC000655792462 435800515 /nfs/dbraw/zinc/80/05/15/435800515.db2.gz YYLLUUXLTAQWEJ-JEYLPNPQSA-N 2 2 306.450 3.055 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(-c2ccccc2)n1 ZINC000641736247 435805405 /nfs/dbraw/zinc/80/54/05/435805405.db2.gz CRKZSSOMNMLHLG-HNAYVOBHSA-N 2 2 324.472 3.142 20 0 DGADLP CCn1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(-c2ccccc2)n1 ZINC000641736247 435805412 /nfs/dbraw/zinc/80/54/12/435805412.db2.gz CRKZSSOMNMLHLG-HNAYVOBHSA-N 2 2 324.472 3.142 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651725385 435805585 /nfs/dbraw/zinc/80/55/85/435805585.db2.gz BNXGHSUKTQMEPW-QAPCUYQASA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651725385 435805590 /nfs/dbraw/zinc/80/55/90/435805590.db2.gz BNXGHSUKTQMEPW-QAPCUYQASA-N 2 2 312.461 3.061 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641776877 435818181 /nfs/dbraw/zinc/81/81/81/435818181.db2.gz XURWNMQOTNPYLS-IBGZPJMESA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660468565 435763731 /nfs/dbraw/zinc/76/37/31/435763731.db2.gz LZROQHGDCGDQJG-CRAIPNDOSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660468565 435763737 /nfs/dbraw/zinc/76/37/37/435763737.db2.gz LZROQHGDCGDQJG-CRAIPNDOSA-N 2 2 306.425 3.073 20 0 DGADLP CSc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660472044 435766136 /nfs/dbraw/zinc/76/61/36/435766136.db2.gz BIBJRHZTBUYUDW-QGZVFWFLSA-N 2 2 320.502 3.095 20 0 DGADLP CSc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660472044 435766142 /nfs/dbraw/zinc/76/61/42/435766142.db2.gz BIBJRHZTBUYUDW-QGZVFWFLSA-N 2 2 320.502 3.095 20 0 DGADLP Clc1ccccc1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472207 435766362 /nfs/dbraw/zinc/76/63/62/435766362.db2.gz IDMBBSPFLGQYSI-QGZVFWFLSA-N 2 2 322.880 3.069 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655748787 435770689 /nfs/dbraw/zinc/77/06/89/435770689.db2.gz JGJRHRDGVZANBB-QRWLVFNGSA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000655748787 435770697 /nfs/dbraw/zinc/77/06/97/435770697.db2.gz JGJRHRDGVZANBB-QRWLVFNGSA-N 2 2 324.472 3.061 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)[C@H](C)C2 ZINC000655751275 435774190 /nfs/dbraw/zinc/77/41/90/435774190.db2.gz KKGFQEJHNAXFBS-MOXGXCLJSA-N 2 2 314.473 3.071 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651667665 435784410 /nfs/dbraw/zinc/78/44/10/435784410.db2.gz MDDSETZBVYEVCF-UHFFFAOYSA-N 2 2 312.461 3.063 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655763573 435784834 /nfs/dbraw/zinc/78/48/34/435784834.db2.gz QMQSAHOUKZSXHD-HOCLYGCPSA-N 2 2 320.502 3.312 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000641804931 435828181 /nfs/dbraw/zinc/82/81/81/435828181.db2.gz MFUKIZMEYSBLPG-SQNIBIBYSA-N 2 2 323.440 3.082 20 0 DGADLP c1sc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nc1-c1ccccc1 ZINC000641800746 435828209 /nfs/dbraw/zinc/82/82/09/435828209.db2.gz FDPKCFOIBJHPSP-DOTOQJQBSA-N 2 2 313.470 3.384 20 0 DGADLP c1sc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nc1-c1ccccc1 ZINC000641800746 435828216 /nfs/dbraw/zinc/82/82/16/435828216.db2.gz FDPKCFOIBJHPSP-DOTOQJQBSA-N 2 2 313.470 3.384 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000641802749 435829013 /nfs/dbraw/zinc/82/90/13/435829013.db2.gz OJOYITMHFVLFHZ-KGLIPLIRSA-N 2 2 305.809 3.210 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cs1 ZINC000641802568 435829706 /nfs/dbraw/zinc/82/97/06/435829706.db2.gz MWABDIVTSSGGOK-CABCVRRESA-N 2 2 317.458 3.034 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000641803417 435829878 /nfs/dbraw/zinc/82/98/78/435829878.db2.gz FNJPXUMDLQZVAI-TVYUQYBPSA-N 2 2 320.824 3.166 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000655848764 435839236 /nfs/dbraw/zinc/83/92/36/435839236.db2.gz KDMHLUKXRMLWOP-BPUTZDHNSA-N 2 2 304.434 3.068 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1O ZINC000655848764 435839246 /nfs/dbraw/zinc/83/92/46/435839246.db2.gz KDMHLUKXRMLWOP-BPUTZDHNSA-N 2 2 304.434 3.068 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000655849205 435839264 /nfs/dbraw/zinc/83/92/64/435839264.db2.gz QFSYEBLTYOXNIM-KVSKMBFKSA-N 2 2 301.478 3.420 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000655849205 435839271 /nfs/dbraw/zinc/83/92/71/435839271.db2.gz QFSYEBLTYOXNIM-KVSKMBFKSA-N 2 2 301.478 3.420 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000655848766 435840888 /nfs/dbraw/zinc/84/08/88/435840888.db2.gz KDMHLUKXRMLWOP-IMJJTQAJSA-N 2 2 304.434 3.068 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1O ZINC000655848766 435840895 /nfs/dbraw/zinc/84/08/95/435840895.db2.gz KDMHLUKXRMLWOP-IMJJTQAJSA-N 2 2 304.434 3.068 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850722 435842244 /nfs/dbraw/zinc/84/22/44/435842244.db2.gz YTMSYJDPOVUXCM-BPQIPLTHSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850722 435842248 /nfs/dbraw/zinc/84/22/48/435842248.db2.gz YTMSYJDPOVUXCM-BPQIPLTHSA-N 2 2 315.461 3.010 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850475 435842353 /nfs/dbraw/zinc/84/23/53/435842353.db2.gz VUBSTTMEFRCYTR-SZMVWBNQSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850475 435842356 /nfs/dbraw/zinc/84/23/56/435842356.db2.gz VUBSTTMEFRCYTR-SZMVWBNQSA-N 2 2 302.462 3.233 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655855739 435845374 /nfs/dbraw/zinc/84/53/74/435845374.db2.gz HOPGLHOLPQHAHR-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655855739 435845378 /nfs/dbraw/zinc/84/53/78/435845378.db2.gz HOPGLHOLPQHAHR-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c[nH+]1 ZINC000551872576 435856345 /nfs/dbraw/zinc/85/63/45/435856345.db2.gz QNNOZPNOVSDMCH-UHFFFAOYSA-N 2 2 323.440 3.359 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660694384 435861838 /nfs/dbraw/zinc/86/18/38/435861838.db2.gz BZEIFPJGDRQMPP-SFHVURJKSA-N 2 2 322.468 3.349 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1ccccc1OCc1ccccc1)C1CC1 ZINC000655938351 435863920 /nfs/dbraw/zinc/86/39/20/435863920.db2.gz SWQBKLNPBZSBBP-HXUWFJFHSA-N 2 2 310.441 3.483 20 0 DGADLP C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000660709980 435865436 /nfs/dbraw/zinc/86/54/36/435865436.db2.gz IAVSWFGSATUEMO-LBPRGKRZSA-N 2 2 317.824 3.496 20 0 DGADLP C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000660709980 435865440 /nfs/dbraw/zinc/86/54/40/435865440.db2.gz IAVSWFGSATUEMO-LBPRGKRZSA-N 2 2 317.824 3.496 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000651982989 435883128 /nfs/dbraw/zinc/88/31/28/435883128.db2.gz MUEXITGQMQPSFE-JTDSTZFVSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000651982989 435883135 /nfs/dbraw/zinc/88/31/35/435883135.db2.gz MUEXITGQMQPSFE-JTDSTZFVSA-N 2 2 302.462 3.054 20 0 DGADLP c1ccc(OCCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000656279647 435935853 /nfs/dbraw/zinc/93/58/53/435935853.db2.gz YIMMOYDDKPMXIE-RBUKOAKNSA-N 2 2 302.462 3.452 20 0 DGADLP CC[NH+](CC)Cc1cccc(CNc2nc[nH+]c(C)c2OC)c1 ZINC000656109916 435891546 /nfs/dbraw/zinc/89/15/46/435891546.db2.gz MOHPPJBKGMPNCH-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP c1ccc(OCCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000656279647 435935858 /nfs/dbraw/zinc/93/58/58/435935858.db2.gz YIMMOYDDKPMXIE-RBUKOAKNSA-N 2 2 302.462 3.452 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665274806 435936267 /nfs/dbraw/zinc/93/62/67/435936267.db2.gz YUHNEOLRSKHABR-OAGGEKHMSA-N 2 2 324.415 3.369 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](Cc4cccnc4)CC3)[nH]c2c1 ZINC000660853713 435909087 /nfs/dbraw/zinc/90/90/87/435909087.db2.gz GGMDAWZYGUFDAF-UHFFFAOYSA-N 2 2 306.413 3.413 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856417 435909377 /nfs/dbraw/zinc/90/93/77/435909377.db2.gz KLAXJHRZMYRDLB-UHFFFAOYSA-N 2 2 323.444 3.023 20 0 DGADLP c1ccc2[nH+]c(CC3CC[NH+](C[C@H]4CCCOC4)CC3)[nH]c2c1 ZINC000660855606 435909447 /nfs/dbraw/zinc/90/94/47/435909447.db2.gz RJRBMECIXFVIRT-MRXNPFEDSA-N 2 2 313.445 3.244 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656195757 435909995 /nfs/dbraw/zinc/90/99/95/435909995.db2.gz GIFGEOLZYCGELJ-HHXXYDBFSA-N 3 2 301.478 3.072 20 0 DGADLP c1ncc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)s1 ZINC000660858046 435911483 /nfs/dbraw/zinc/91/14/83/435911483.db2.gz BPBXAUSDPCURJJ-UHFFFAOYSA-N 2 2 312.442 3.474 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000652133119 435912076 /nfs/dbraw/zinc/91/20/76/435912076.db2.gz HOQJLEJORZOQMB-IBGZPJMESA-N 2 2 322.412 3.056 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(F)cc1 ZINC000652203631 435922772 /nfs/dbraw/zinc/92/27/72/435922772.db2.gz TYGMHWUNBSIIRY-OALUTQOASA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(F)cc1 ZINC000652203631 435922777 /nfs/dbraw/zinc/92/27/77/435922777.db2.gz TYGMHWUNBSIIRY-OALUTQOASA-N 2 2 322.468 3.349 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932451 435926534 /nfs/dbraw/zinc/92/65/34/435926534.db2.gz XEYWICOAOBDWPR-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932451 435926542 /nfs/dbraw/zinc/92/65/42/435926542.db2.gz XEYWICOAOBDWPR-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932451 435926544 /nfs/dbraw/zinc/92/65/44/435926544.db2.gz XEYWICOAOBDWPR-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932451 435926549 /nfs/dbraw/zinc/92/65/49/435926549.db2.gz XEYWICOAOBDWPR-ZCNNSNEGSA-N 2 2 314.473 3.152 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000665250954 435928744 /nfs/dbraw/zinc/92/87/44/435928744.db2.gz CYIZSLCDVMNLJV-DAXOMENPSA-N 2 2 301.459 3.248 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccoc2)cc1 ZINC000665255681 435931129 /nfs/dbraw/zinc/93/11/29/435931129.db2.gz ZHPGPMKBHBHLPW-JVPBZIDWSA-N 2 2 314.429 3.475 20 0 DGADLP CC[C@H]([NH2+]Cc1sc(C)cc1Br)[C@@H]1CCC[NH2+]1 ZINC000665267326 435934023 /nfs/dbraw/zinc/93/40/23/435934023.db2.gz UUQKBLUNRXOJDK-RYUDHWBXSA-N 2 2 317.296 3.439 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3[C@@H](C)CCC3(C)C)c2cc1C ZINC000650286450 435880016 /nfs/dbraw/zinc/88/00/16/435880016.db2.gz PJGUIQHGDMOGEJ-JKSUJKDBSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3[C@@H](C)CCC3(C)C)c2cc1C ZINC000650286450 435880018 /nfs/dbraw/zinc/88/00/18/435880018.db2.gz PJGUIQHGDMOGEJ-JKSUJKDBSA-N 2 2 315.461 3.277 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355792 435959597 /nfs/dbraw/zinc/95/95/97/435959597.db2.gz HWZXUDAMOZNIJA-GZBFAFLISA-N 2 2 311.495 3.190 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355792 435959601 /nfs/dbraw/zinc/95/96/01/435959601.db2.gz HWZXUDAMOZNIJA-GZBFAFLISA-N 2 2 311.495 3.190 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000647176787 435962246 /nfs/dbraw/zinc/96/22/46/435962246.db2.gz ZUGDTSMCVSEABM-UHFFFAOYSA-N 2 2 324.472 3.287 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]CCCNc2cccc[nH+]2)cn1 ZINC000647190156 435967926 /nfs/dbraw/zinc/96/79/26/435967926.db2.gz KMSNRPOOVGZWPM-UHFFFAOYSA-N 2 2 321.428 3.168 20 0 DGADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000647196629 435970407 /nfs/dbraw/zinc/97/04/07/435970407.db2.gz HYHDNRKVQDFBMJ-UHFFFAOYSA-N 2 2 310.401 3.024 20 0 DGADLP COC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1F ZINC000665282356 435937888 /nfs/dbraw/zinc/93/78/88/435937888.db2.gz WJPQBGUTGSHNHT-KGLIPLIRSA-N 2 2 302.821 3.130 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000665281995 435938978 /nfs/dbraw/zinc/93/89/78/435938978.db2.gz ODNOLTWCXZSRBU-HZPDHXFCSA-N 2 2 320.868 3.126 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000665296319 435942144 /nfs/dbraw/zinc/94/21/44/435942144.db2.gz QSEFCKMLOLFEGG-VHSXEESVSA-N 2 2 311.223 3.454 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000665295442 435942526 /nfs/dbraw/zinc/94/25/26/435942526.db2.gz DOSJFVKOABQKHS-VXGBXAGGSA-N 2 2 319.474 3.386 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)[C@H]1CC[NH3+] ZINC000652355724 435955985 /nfs/dbraw/zinc/95/59/85/435955985.db2.gz FHFKFHHGWXSBSO-WFASDCNBSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)[C@H]1CC[NH3+] ZINC000652355724 435955990 /nfs/dbraw/zinc/95/59/90/435955990.db2.gz FHFKFHHGWXSBSO-WFASDCNBSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc2n(n1)CCCC2 ZINC000647281012 435997585 /nfs/dbraw/zinc/99/75/85/435997585.db2.gz SIQJYEMMQIZAEG-ZDUSSCGKSA-N 2 2 304.482 3.179 20 0 DGADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650710731 435998144 /nfs/dbraw/zinc/99/81/44/435998144.db2.gz YDQGVPRPRGSCAM-HNNXBMFYSA-N 2 2 317.408 3.476 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2n(n1)CCCC2 ZINC000647287593 435999647 /nfs/dbraw/zinc/99/96/47/435999647.db2.gz MOVSHGZFDPUQQJ-OAHLLOKOSA-N 2 2 313.449 3.157 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715864 436002126 /nfs/dbraw/zinc/00/21/26/436002126.db2.gz MJHISBONFABJMQ-AHRSYUTCSA-N 2 2 321.468 3.448 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715864 436002129 /nfs/dbraw/zinc/00/21/29/436002129.db2.gz MJHISBONFABJMQ-AHRSYUTCSA-N 2 2 321.468 3.448 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000650719436 436003937 /nfs/dbraw/zinc/00/39/37/436003937.db2.gz QFHUGHUMFBVUNK-DYESRHJHSA-N 3 2 323.484 3.331 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000650719436 436003938 /nfs/dbraw/zinc/00/39/38/436003938.db2.gz QFHUGHUMFBVUNK-DYESRHJHSA-N 3 2 323.484 3.331 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCC3CCC3)c2cc1C ZINC000656709592 436016617 /nfs/dbraw/zinc/01/66/17/436016617.db2.gz BWPSVOIPVHBGNU-QGZVFWFLSA-N 2 2 315.461 3.184 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C[N@@H+]1Cc1ccccc1 ZINC000650751047 436018572 /nfs/dbraw/zinc/01/85/72/436018572.db2.gz PJBVGXVNOMVLIO-LSTHTHJFSA-N 2 2 321.468 3.276 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C[N@H+]1Cc1ccccc1 ZINC000650751047 436018577 /nfs/dbraw/zinc/01/85/77/436018577.db2.gz PJBVGXVNOMVLIO-LSTHTHJFSA-N 2 2 321.468 3.276 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000650758569 436022411 /nfs/dbraw/zinc/02/24/11/436022411.db2.gz SKFPXMKEIMBGFJ-LAUBAEHRSA-N 3 2 323.484 3.159 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000650758569 436022413 /nfs/dbraw/zinc/02/24/13/436022413.db2.gz SKFPXMKEIMBGFJ-LAUBAEHRSA-N 3 2 323.484 3.159 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1nccs1 ZINC000647344181 436025451 /nfs/dbraw/zinc/02/54/51/436025451.db2.gz LCNJFSIYJFQAOL-IMJJTQAJSA-N 2 2 301.459 3.139 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1nccs1 ZINC000647344181 436025455 /nfs/dbraw/zinc/02/54/55/436025455.db2.gz LCNJFSIYJFQAOL-IMJJTQAJSA-N 2 2 301.459 3.139 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCO)c2ccccc2F)CC1 ZINC000647345431 436025811 /nfs/dbraw/zinc/02/58/11/436025811.db2.gz JHEPYDIQTOJRKR-KRWDZBQOSA-N 2 2 308.441 3.102 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000647344249 436026585 /nfs/dbraw/zinc/02/65/85/436026585.db2.gz MOWDFTAUBLVVTA-IMJJTQAJSA-N 2 2 301.459 3.139 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cscn1 ZINC000647344249 436026592 /nfs/dbraw/zinc/02/65/92/436026592.db2.gz MOWDFTAUBLVVTA-IMJJTQAJSA-N 2 2 301.459 3.139 20 0 DGADLP FC1CCC(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000647349335 436027716 /nfs/dbraw/zinc/02/77/16/436027716.db2.gz KESAXDSFCOFCCE-UHFFFAOYSA-N 2 2 305.441 3.164 20 0 DGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364942 436032486 /nfs/dbraw/zinc/03/24/86/436032486.db2.gz SPENXKPUSXCPQN-LJQANCHMSA-N 2 2 323.440 3.033 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccsc2)cc1F ZINC000656791148 436046848 /nfs/dbraw/zinc/04/68/48/436046848.db2.gz URFGZQCHHOUPQF-HOCLYGCPSA-N 2 2 320.433 3.131 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCN(c4ccccc4)C3)cn21 ZINC000647262552 435995782 /nfs/dbraw/zinc/99/57/82/435995782.db2.gz CQESFTIOURRQFY-KRWDZBQOSA-N 2 2 320.440 3.054 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]CC3=Cc4ccccc4OC3)cn21 ZINC000647262596 435996224 /nfs/dbraw/zinc/99/62/24/435996224.db2.gz GCACOMQSCCFNQN-UHFFFAOYSA-N 2 2 319.408 3.251 20 0 DGADLP CC[C@H](C)Sc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653081399 436106516 /nfs/dbraw/zinc/10/65/16/436106516.db2.gz NODLLOANXNYXLO-DZGCQCFKSA-N 2 2 323.506 3.103 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000647498184 436065506 /nfs/dbraw/zinc/06/55/06/436065506.db2.gz CEMDRJDXHBRTOM-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@@H]1[NH3+] ZINC000647498184 436065511 /nfs/dbraw/zinc/06/55/11/436065511.db2.gz CEMDRJDXHBRTOM-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661441956 436072472 /nfs/dbraw/zinc/07/24/72/436072472.db2.gz IVZJQOSBMUSELZ-APWZRJJASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661441956 436072476 /nfs/dbraw/zinc/07/24/76/436072476.db2.gz IVZJQOSBMUSELZ-APWZRJJASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661465745 436077182 /nfs/dbraw/zinc/07/71/82/436077182.db2.gz GOZZHCJKMGGZQJ-INIZCTEOSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661465745 436077185 /nfs/dbraw/zinc/07/71/85/436077185.db2.gz GOZZHCJKMGGZQJ-INIZCTEOSA-N 2 2 311.429 3.324 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000647542414 436078575 /nfs/dbraw/zinc/07/85/75/436078575.db2.gz FPJYCFWUYJODID-UAGQMJEPSA-N 2 2 318.461 3.056 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000647542414 436078582 /nfs/dbraw/zinc/07/85/82/436078582.db2.gz FPJYCFWUYJODID-UAGQMJEPSA-N 2 2 318.461 3.056 20 0 DGADLP Brc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cs1 ZINC000647554155 436083621 /nfs/dbraw/zinc/08/36/21/436083621.db2.gz SBMOZRQIGHHETM-NSHDSACASA-N 2 2 315.280 3.275 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814649 436127476 /nfs/dbraw/zinc/12/74/76/436127476.db2.gz XQJOENPGZBUKMB-UHFFFAOYSA-N 2 2 317.458 3.428 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814649 436127482 /nfs/dbraw/zinc/12/74/82/436127482.db2.gz XQJOENPGZBUKMB-UHFFFAOYSA-N 2 2 317.458 3.428 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(C)[nH+]1 ZINC000653183072 436127886 /nfs/dbraw/zinc/12/78/86/436127886.db2.gz LIIFMIZPFJNLLU-QGZVFWFLSA-N 2 2 324.428 3.315 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(C)[nH+]1 ZINC000653183072 436127890 /nfs/dbraw/zinc/12/78/90/436127890.db2.gz LIIFMIZPFJNLLU-QGZVFWFLSA-N 2 2 324.428 3.315 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(F)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000657318315 436134122 /nfs/dbraw/zinc/13/41/22/436134122.db2.gz JTCCUWWBKJMROD-GFCCVEGCSA-N 2 2 316.367 3.249 20 0 DGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000657317966 436134547 /nfs/dbraw/zinc/13/45/47/436134547.db2.gz GPGLDPBCCYFQSW-DYVFJYSZSA-N 2 2 308.385 3.274 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647938789 436154275 /nfs/dbraw/zinc/15/42/75/436154275.db2.gz VBPJTMYQIQKNMB-UXLLHSPISA-N 2 2 317.477 3.196 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@@H]1[NH3+] ZINC000647938789 436154279 /nfs/dbraw/zinc/15/42/79/436154279.db2.gz VBPJTMYQIQKNMB-UXLLHSPISA-N 2 2 317.477 3.196 20 0 DGADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(Br)c1 ZINC000657325229 436138378 /nfs/dbraw/zinc/13/83/78/436138378.db2.gz LIZIKMGBLJPHPT-UHFFFAOYSA-N 2 2 324.197 3.021 20 0 DGADLP Cc1cc(CO)cc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH+]1 ZINC000647870065 436138885 /nfs/dbraw/zinc/13/88/85/436138885.db2.gz CMSRNLKOBTUNKF-CQSZACIVSA-N 2 2 308.385 3.241 20 0 DGADLP COc1ccc(C[NH+](Cc2ccc(OC)cc2)C[C@H](C)[NH3+])cc1 ZINC000647884409 436140328 /nfs/dbraw/zinc/14/03/28/436140328.db2.gz MHMLPOWVLUASHL-HNNXBMFYSA-N 2 2 314.429 3.053 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657334512 436143722 /nfs/dbraw/zinc/14/37/22/436143722.db2.gz CCUUMQYRHUFWEJ-GFCCVEGCSA-N 2 2 316.367 3.247 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657334512 436143727 /nfs/dbraw/zinc/14/37/27/436143727.db2.gz CCUUMQYRHUFWEJ-GFCCVEGCSA-N 2 2 316.367 3.247 20 0 DGADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000657337629 436146407 /nfs/dbraw/zinc/14/64/07/436146407.db2.gz BZXOVMUWCCFOJZ-QZTJIDSGSA-N 3 2 321.553 3.494 20 0 DGADLP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000657337630 436146584 /nfs/dbraw/zinc/14/65/84/436146584.db2.gz BZXOVMUWCCFOJZ-ROUUACIJSA-N 3 2 321.553 3.494 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)n1C ZINC000657336593 436146704 /nfs/dbraw/zinc/14/67/04/436146704.db2.gz VDBZVSLKRBNZTI-OAHLLOKOSA-N 2 2 320.234 3.268 20 0 DGADLP CC[C@H]1C[N@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647934695 436152561 /nfs/dbraw/zinc/15/25/61/436152561.db2.gz NALLCJRSAHYOQZ-VHSXEESVSA-N 2 2 307.385 3.030 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647934695 436152565 /nfs/dbraw/zinc/15/25/65/436152565.db2.gz NALLCJRSAHYOQZ-VHSXEESVSA-N 2 2 307.385 3.030 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@@H]1[NH3+] ZINC000647937769 436152929 /nfs/dbraw/zinc/15/29/29/436152929.db2.gz AXWNUTXOVADHJC-GUTXKFCHSA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@@H]1[NH3+] ZINC000647937769 436152931 /nfs/dbraw/zinc/15/29/31/436152931.db2.gz AXWNUTXOVADHJC-GUTXKFCHSA-N 2 2 323.868 3.035 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2[nH+]1 ZINC000653110669 436112793 /nfs/dbraw/zinc/11/27/93/436112793.db2.gz QJFNGQBTUWRYOK-CYBMUJFWSA-N 2 2 314.433 3.234 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000657297346 436123077 /nfs/dbraw/zinc/12/30/77/436123077.db2.gz MAETVENJZJBCOC-QZTJIDSGSA-N 2 2 322.880 3.462 20 0 DGADLP CC(C)n1cc[nH+]c1CNC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000657357734 436157168 /nfs/dbraw/zinc/15/71/68/436157168.db2.gz QSGJQDRNZQUVQI-INIZCTEOSA-N 2 2 300.450 3.074 20 0 DGADLP CC(C)n1cc[nH+]c1CNC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657357734 436157170 /nfs/dbraw/zinc/15/71/70/436157170.db2.gz QSGJQDRNZQUVQI-INIZCTEOSA-N 2 2 300.450 3.074 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCc2cccc(Br)c2)n1C ZINC000657358183 436158110 /nfs/dbraw/zinc/15/81/10/436158110.db2.gz GZKJMFUPUZKMLQ-UHFFFAOYSA-N 2 2 322.250 3.213 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960174 436160816 /nfs/dbraw/zinc/16/08/16/436160816.db2.gz JTNYJDUJQJIDCK-SJORKVTESA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960174 436160822 /nfs/dbraw/zinc/16/08/22/436160822.db2.gz JTNYJDUJQJIDCK-SJORKVTESA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960174 436160827 /nfs/dbraw/zinc/16/08/27/436160827.db2.gz JTNYJDUJQJIDCK-SJORKVTESA-N 2 2 324.896 3.048 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000647960174 436160832 /nfs/dbraw/zinc/16/08/32/436160832.db2.gz JTNYJDUJQJIDCK-SJORKVTESA-N 2 2 324.896 3.048 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)CC[C@@H]1[NH3+] ZINC000647938404 436155058 /nfs/dbraw/zinc/15/50/58/436155058.db2.gz MHDIUZZHXHDPLF-FMKPAKJESA-N 2 2 314.433 3.165 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)CC[C@@H]1[NH3+] ZINC000647938404 436155063 /nfs/dbraw/zinc/15/50/63/436155063.db2.gz MHDIUZZHXHDPLF-FMKPAKJESA-N 2 2 314.433 3.165 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000651355617 436172362 /nfs/dbraw/zinc/17/23/62/436172362.db2.gz PRQRSHKJCQCSJP-ISTVAULSSA-N 2 2 315.230 3.189 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(Br)c1 ZINC000651355617 436172367 /nfs/dbraw/zinc/17/23/67/436172367.db2.gz PRQRSHKJCQCSJP-ISTVAULSSA-N 2 2 315.230 3.189 20 0 DGADLP Cc1c[nH]c(CNc2cccc(C[NH+]3CCSCC3)c2C)[nH+]1 ZINC000657406678 436183859 /nfs/dbraw/zinc/18/38/59/436183859.db2.gz ASTJQPXOEVXXJS-UHFFFAOYSA-N 2 2 316.474 3.187 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000648028888 436185491 /nfs/dbraw/zinc/18/54/91/436185491.db2.gz LEQLNBQBPOWYQZ-GOSISDBHSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000648028888 436185497 /nfs/dbraw/zinc/18/54/97/436185497.db2.gz LEQLNBQBPOWYQZ-GOSISDBHSA-N 2 2 312.461 3.097 20 0 DGADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1OC(C)C ZINC000657524870 436233840 /nfs/dbraw/zinc/23/38/40/436233840.db2.gz SUEDDCVAMWJTML-MRXNPFEDSA-N 2 2 320.477 3.445 20 0 DGADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1OC(C)C ZINC000657524870 436233844 /nfs/dbraw/zinc/23/38/44/436233844.db2.gz SUEDDCVAMWJTML-MRXNPFEDSA-N 2 2 320.477 3.445 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000657524201 436235962 /nfs/dbraw/zinc/23/59/62/436235962.db2.gz JHDBSNVCUFTTNU-CQSZACIVSA-N 2 2 301.409 3.336 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000657524201 436235967 /nfs/dbraw/zinc/23/59/67/436235967.db2.gz JHDBSNVCUFTTNU-CQSZACIVSA-N 2 2 301.409 3.336 20 0 DGADLP C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661981143 436242035 /nfs/dbraw/zinc/24/20/35/436242035.db2.gz HLGCYHRICPKXLL-MRXNPFEDSA-N 2 2 311.429 3.406 20 0 DGADLP C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661981143 436242036 /nfs/dbraw/zinc/24/20/36/436242036.db2.gz HLGCYHRICPKXLL-MRXNPFEDSA-N 2 2 311.429 3.406 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1C ZINC000657427117 436196426 /nfs/dbraw/zinc/19/64/26/436196426.db2.gz OUYPFYNNLYYKIS-HOTGVXAUSA-N 2 2 305.809 3.002 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1F)[NH+]1CCCCC1 ZINC000657433537 436199309 /nfs/dbraw/zinc/19/93/09/436199309.db2.gz UPCZRWFLHBRICC-GFCCVEGCSA-N 2 2 300.368 3.458 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2noc3ccccc23)C1 ZINC000653551965 436201297 /nfs/dbraw/zinc/20/12/97/436201297.db2.gz BWNQPQREABUIIX-OAHLLOKOSA-N 2 2 324.428 3.466 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2noc3ccccc23)C1 ZINC000653551965 436201300 /nfs/dbraw/zinc/20/13/00/436201300.db2.gz BWNQPQREABUIIX-OAHLLOKOSA-N 2 2 324.428 3.466 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C(C)C)C3(CO)CC=CC3)n2c1 ZINC000648069949 436203180 /nfs/dbraw/zinc/20/31/80/436203180.db2.gz UERXSWZFZQANQN-SFHVURJKSA-N 2 2 313.445 3.086 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CS[C@@H](C(C)C)C3)cn21 ZINC000648078851 436206512 /nfs/dbraw/zinc/20/65/12/436206512.db2.gz QZCGLXNBZUCFBC-JKSUJKDBSA-N 2 2 303.475 3.305 20 0 DGADLP CC(C)O[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590678 436218389 /nfs/dbraw/zinc/21/83/89/436218389.db2.gz VQSHJHWKYVBGDL-MSOLQXFVSA-N 2 2 313.445 3.376 20 0 DGADLP CC(C)O[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590678 436218392 /nfs/dbraw/zinc/21/83/92/436218392.db2.gz VQSHJHWKYVBGDL-MSOLQXFVSA-N 2 2 313.445 3.376 20 0 DGADLP Clc1cccc(CC2([NH2+]Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000657485789 436223210 /nfs/dbraw/zinc/22/32/10/436223210.db2.gz RSCUPADYPOMJSV-UHFFFAOYSA-N 2 2 301.821 3.348 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C12CCC2 ZINC000657703165 436285100 /nfs/dbraw/zinc/28/51/00/436285100.db2.gz VGLFVNKONLHOMP-GJZGRUSLSA-N 2 2 303.450 3.045 20 0 DGADLP CC(C)(C)c1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662147855 436289398 /nfs/dbraw/zinc/28/93/98/436289398.db2.gz HHQIHXKAQGATSP-LJQANCHMSA-N 2 2 316.489 3.015 20 0 DGADLP CC(C)(C)c1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662147855 436289403 /nfs/dbraw/zinc/28/94/03/436289403.db2.gz HHQIHXKAQGATSP-LJQANCHMSA-N 2 2 316.489 3.015 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000657741404 436291810 /nfs/dbraw/zinc/29/18/10/436291810.db2.gz CRVPVGWIZUVDFH-INIZCTEOSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000657741404 436291814 /nfs/dbraw/zinc/29/18/14/436291814.db2.gz CRVPVGWIZUVDFH-INIZCTEOSA-N 2 2 303.837 3.462 20 0 DGADLP CCC[N@H+](C)CC(C)(C)NCc1c[nH+]cn1Cc1ccccc1 ZINC000662177942 436292951 /nfs/dbraw/zinc/29/29/51/436292951.db2.gz NMNGDJQFCFHWDF-UHFFFAOYSA-N 2 2 314.477 3.141 20 0 DGADLP CCC[N@@H+](C)CC(C)(C)NCc1c[nH+]cn1Cc1ccccc1 ZINC000662177942 436292954 /nfs/dbraw/zinc/29/29/54/436292954.db2.gz NMNGDJQFCFHWDF-UHFFFAOYSA-N 2 2 314.477 3.141 20 0 DGADLP Fc1ccc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666853975 436293729 /nfs/dbraw/zinc/29/37/29/436293729.db2.gz XXXBMZFFTLAPSZ-CQSZACIVSA-N 2 2 305.422 3.181 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000657563418 436248466 /nfs/dbraw/zinc/24/84/66/436248466.db2.gz NZNWWHHQVIBFOV-SJORKVTESA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000657563418 436248469 /nfs/dbraw/zinc/24/84/69/436248469.db2.gz NZNWWHHQVIBFOV-SJORKVTESA-N 2 2 302.462 3.015 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](OC4CCC4)C3)cc2)c[nH+]1 ZINC000653815288 436271634 /nfs/dbraw/zinc/27/16/34/436271634.db2.gz QJTBYQMDFZRVIH-IBGZPJMESA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](OC4CCC4)C3)cc2)c[nH+]1 ZINC000653815288 436271637 /nfs/dbraw/zinc/27/16/37/436271637.db2.gz QJTBYQMDFZRVIH-IBGZPJMESA-N 2 2 311.429 3.406 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000666766969 436277938 /nfs/dbraw/zinc/27/79/38/436277938.db2.gz OCENDCRHFGDEIO-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000666764849 436278174 /nfs/dbraw/zinc/27/81/74/436278174.db2.gz VQHUNPKTGRUFHI-JTQLQIEISA-N 2 2 304.768 3.031 20 0 DGADLP Clc1sc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1Br ZINC000666770723 436279431 /nfs/dbraw/zinc/27/94/31/436279431.db2.gz UBAWUCQAIUQIGG-MRVPVSSYSA-N 2 2 323.687 3.396 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H](CO)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657699121 436282959 /nfs/dbraw/zinc/28/29/59/436282959.db2.gz AEANUPZPPHOWMN-OALUTQOASA-N 2 2 316.489 3.038 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H](CO)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657699121 436282960 /nfs/dbraw/zinc/28/29/60/436282960.db2.gz AEANUPZPPHOWMN-OALUTQOASA-N 2 2 316.489 3.038 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H](CO)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657699120 436283147 /nfs/dbraw/zinc/28/31/47/436283147.db2.gz AEANUPZPPHOWMN-MOPGFXCFSA-N 2 2 316.489 3.038 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H](CO)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657699120 436283150 /nfs/dbraw/zinc/28/31/50/436283150.db2.gz AEANUPZPPHOWMN-MOPGFXCFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657982711 436350019 /nfs/dbraw/zinc/35/00/19/436350019.db2.gz WYGZLBPBDSHWPE-DNVCBOLYSA-N 2 2 309.457 3.298 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1COC2(CCC2)C1)[NH+](C)C ZINC000657987061 436350188 /nfs/dbraw/zinc/35/01/88/436350188.db2.gz ZWPXCOKROQBKKS-BQFCYCMXSA-N 2 2 302.462 3.287 20 0 DGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCC1 ZINC000657766926 436299200 /nfs/dbraw/zinc/29/92/00/436299200.db2.gz KXSDIARHAVHYDJ-SFHVURJKSA-N 2 2 317.408 3.306 20 0 DGADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666879677 436299311 /nfs/dbraw/zinc/29/93/11/436299311.db2.gz XCUIZRBTSCLEOM-JOYOIKCWSA-N 2 2 304.768 3.029 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000657794932 436308858 /nfs/dbraw/zinc/30/88/58/436308858.db2.gz ZDRKOOGXIUQGNF-INIZCTEOSA-N 2 2 314.477 3.229 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1nccn1C ZINC000657794932 436308859 /nfs/dbraw/zinc/30/88/59/436308859.db2.gz ZDRKOOGXIUQGNF-INIZCTEOSA-N 2 2 314.477 3.229 20 0 DGADLP COc1cccc(SCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000662244439 436311395 /nfs/dbraw/zinc/31/13/95/436311395.db2.gz GWIPWENZHFASAD-UHFFFAOYSA-N 2 2 320.502 3.251 20 0 DGADLP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948195 436313369 /nfs/dbraw/zinc/31/33/69/436313369.db2.gz UYTYDRPXRCDCKG-CQDKDKBSSA-N 2 2 318.358 3.316 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662252620 436313848 /nfs/dbraw/zinc/31/38/48/436313848.db2.gz BYHNNBIAAKPIOI-YWZLYKJASA-N 2 2 310.441 3.354 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000662252620 436313851 /nfs/dbraw/zinc/31/38/51/436313851.db2.gz BYHNNBIAAKPIOI-YWZLYKJASA-N 2 2 310.441 3.354 20 0 DGADLP c1csc([C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+]2CCCC2)c1 ZINC000657818624 436316724 /nfs/dbraw/zinc/31/67/24/436316724.db2.gz SKFCFRTWWYURJR-GJZGRUSLSA-N 2 2 306.475 3.186 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968879 436317932 /nfs/dbraw/zinc/31/79/32/436317932.db2.gz YKEKAMCYWULROJ-DOTOQJQBSA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968879 436317934 /nfs/dbraw/zinc/31/79/34/436317934.db2.gz YKEKAMCYWULROJ-DOTOQJQBSA-N 2 2 312.461 3.020 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000657820413 436318292 /nfs/dbraw/zinc/31/82/92/436318292.db2.gz KECKSFPMBVOXCZ-YOEHRIQHSA-N 2 2 307.401 3.255 20 0 DGADLP CC(C)[C@H](C[NH2+]C1CC(CF)(CF)C1)[NH+]1CCC(C)CC1 ZINC000657832981 436321193 /nfs/dbraw/zinc/32/11/93/436321193.db2.gz IFOHDYYFQPJOFP-INIZCTEOSA-N 2 2 302.453 3.420 20 0 DGADLP Fc1cc(F)cc([C@@H]2COCC[N@@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662311896 436329007 /nfs/dbraw/zinc/32/90/07/436329007.db2.gz WTBICYCWSDHTHV-SFHVURJKSA-N 2 2 324.415 3.118 20 0 DGADLP Fc1cc(F)cc([C@@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662311896 436329008 /nfs/dbraw/zinc/32/90/08/436329008.db2.gz WTBICYCWSDHTHV-SFHVURJKSA-N 2 2 324.415 3.118 20 0 DGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321353 436330101 /nfs/dbraw/zinc/33/01/01/436330101.db2.gz HLGLWBTTYIAPCG-UONOGXRCSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321353 436330105 /nfs/dbraw/zinc/33/01/05/436330105.db2.gz HLGLWBTTYIAPCG-UONOGXRCSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320924 436330401 /nfs/dbraw/zinc/33/04/01/436330401.db2.gz FUJWSBHRQQWMSH-HIFRSBDPSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320924 436330403 /nfs/dbraw/zinc/33/04/03/436330403.db2.gz FUJWSBHRQQWMSH-HIFRSBDPSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321349 436330652 /nfs/dbraw/zinc/33/06/52/436330652.db2.gz HLGLWBTTYIAPCG-KGLIPLIRSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321349 436330654 /nfs/dbraw/zinc/33/06/54/436330654.db2.gz HLGLWBTTYIAPCG-KGLIPLIRSA-N 2 2 312.404 3.068 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(Cl)c1 ZINC000662323624 436330729 /nfs/dbraw/zinc/33/07/29/436330729.db2.gz OIQXDHAOKMDQLK-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(Cl)c1 ZINC000662323624 436330733 /nfs/dbraw/zinc/33/07/33/436330733.db2.gz OIQXDHAOKMDQLK-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)[nH+]1 ZINC000654087744 436341400 /nfs/dbraw/zinc/34/14/00/436341400.db2.gz LTNVHZDAIIAPKO-HOTGVXAUSA-N 2 2 316.449 3.145 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057526 436361044 /nfs/dbraw/zinc/36/10/44/436361044.db2.gz PALGVRXLNBVJFJ-HUUCEWRRSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057526 436361047 /nfs/dbraw/zinc/36/10/47/436361047.db2.gz PALGVRXLNBVJFJ-HUUCEWRRSA-N 2 2 314.477 3.346 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057651 436361437 /nfs/dbraw/zinc/36/14/37/436361437.db2.gz PQSKXQHUUGPFFA-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057651 436361440 /nfs/dbraw/zinc/36/14/40/436361440.db2.gz PQSKXQHUUGPFFA-CZUORRHYSA-N 2 2 321.440 3.005 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091061 436371998 /nfs/dbraw/zinc/37/19/98/436371998.db2.gz KOHOOGAEYGWICN-HZPDHXFCSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091061 436372000 /nfs/dbraw/zinc/37/20/00/436372000.db2.gz KOHOOGAEYGWICN-HZPDHXFCSA-N 2 2 317.477 3.175 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC2(CCC2)C1 ZINC000662706642 436379313 /nfs/dbraw/zinc/37/93/13/436379313.db2.gz DXMOWULCVZGXKI-UHFFFAOYSA-N 2 2 324.428 3.431 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C1([NH2+]C2CC2)CCC1 ZINC000662708513 436380346 /nfs/dbraw/zinc/38/03/46/436380346.db2.gz TUZUHXVBLOHSML-UHFFFAOYSA-N 2 2 324.428 3.444 20 0 DGADLP CC(C)(C)OCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658184070 436397848 /nfs/dbraw/zinc/39/78/48/436397848.db2.gz HPKNPBNFRHKILC-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP CC(C)(C)OCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658184070 436397851 /nfs/dbraw/zinc/39/78/51/436397851.db2.gz HPKNPBNFRHKILC-SFHVURJKSA-N 2 2 304.478 3.446 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000658239632 436408401 /nfs/dbraw/zinc/40/84/01/436408401.db2.gz NSBMVJUCYHYWFW-FQEVSTJZSA-N 2 2 323.440 3.029 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000658056319 436359328 /nfs/dbraw/zinc/35/93/28/436359328.db2.gz PROOTPLFGCLBJU-JLAWEPINSA-N 2 2 302.462 3.056 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658056319 436359330 /nfs/dbraw/zinc/35/93/30/436359330.db2.gz PROOTPLFGCLBJU-JLAWEPINSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054674 436359763 /nfs/dbraw/zinc/35/97/63/436359763.db2.gz FZDXSKXRFAAVJF-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054674 436359766 /nfs/dbraw/zinc/35/97/66/436359766.db2.gz FZDXSKXRFAAVJF-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055457 436359784 /nfs/dbraw/zinc/35/97/84/436359784.db2.gz JBVFWOMSRYCMNS-GDBMZVCRSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCCO2 ZINC000658055457 436359786 /nfs/dbraw/zinc/35/97/86/436359786.db2.gz JBVFWOMSRYCMNS-GDBMZVCRSA-N 2 2 318.461 3.371 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CCC2)c1 ZINC000658323929 436430282 /nfs/dbraw/zinc/43/02/82/436430282.db2.gz UUNAKMVTIIBFQO-HOCLYGCPSA-N 2 2 300.446 3.289 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)CCC2)c1 ZINC000658323929 436430285 /nfs/dbraw/zinc/43/02/85/436430285.db2.gz UUNAKMVTIIBFQO-HOCLYGCPSA-N 2 2 300.446 3.289 20 0 DGADLP CC1(C)OCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658331508 436432170 /nfs/dbraw/zinc/43/21/70/436432170.db2.gz MXUXLPACUSBTMV-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)OCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658331508 436432175 /nfs/dbraw/zinc/43/21/75/436432175.db2.gz MXUXLPACUSBTMV-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP CC[NH+](CC)[C@H](CNc1cc(CO)cc(C)[nH+]1)c1ccsc1 ZINC000663386701 436451227 /nfs/dbraw/zinc/45/12/27/436451227.db2.gz BMZGLTKKZWWIPP-MRXNPFEDSA-N 2 2 319.474 3.439 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286124 436417328 /nfs/dbraw/zinc/41/73/28/436417328.db2.gz PBWMKHJRWKQYPF-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)C1 ZINC000658286124 436417332 /nfs/dbraw/zinc/41/73/32/436417332.db2.gz PBWMKHJRWKQYPF-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288053 436418945 /nfs/dbraw/zinc/41/89/45/436418945.db2.gz QTTLMTKCYBHYHK-WBVHZDCISA-N 2 2 317.477 3.040 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2CC)C1 ZINC000658288053 436418949 /nfs/dbraw/zinc/41/89/49/436418949.db2.gz QTTLMTKCYBHYHK-WBVHZDCISA-N 2 2 317.477 3.040 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292704 436420192 /nfs/dbraw/zinc/42/01/92/436420192.db2.gz AAKIFAFMNFRPGJ-HHXXYDBFSA-N 2 2 314.473 3.386 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000658295828 436420453 /nfs/dbraw/zinc/42/04/53/436420453.db2.gz OVCANRXAKZBBPC-PQEBFOHHSA-N 2 2 320.502 3.083 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000658295684 436420969 /nfs/dbraw/zinc/42/09/69/436420969.db2.gz UXYVGEKKOBWDRM-QZTJIDSGSA-N 2 2 306.425 3.120 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000663646511 436485020 /nfs/dbraw/zinc/48/50/20/436485020.db2.gz DRPIACHCLYPTIY-CYBMUJFWSA-N 2 2 313.367 3.331 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000663642292 436485101 /nfs/dbraw/zinc/48/51/01/436485101.db2.gz FKUVKAMBJJPCRK-OAHLLOKOSA-N 2 2 310.445 3.272 20 0 DGADLP Cc1cc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc(C)[nH+]1 ZINC000659325334 436495029 /nfs/dbraw/zinc/49/50/29/436495029.db2.gz ONZQFAHDJGCXFF-SFHVURJKSA-N 2 2 323.440 3.007 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000663720504 436496618 /nfs/dbraw/zinc/49/66/18/436496618.db2.gz JQXHEABGCPKNLH-JSGCOSHPSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000663720504 436496623 /nfs/dbraw/zinc/49/66/23/436496623.db2.gz JQXHEABGCPKNLH-JSGCOSHPSA-N 2 2 313.367 3.329 20 0 DGADLP CCc1nnc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[nH]1 ZINC000659839624 436539314 /nfs/dbraw/zinc/53/93/14/436539314.db2.gz XWFCOCCURKCZIK-HNNXBMFYSA-N 2 2 319.497 3.016 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446300 436550528 /nfs/dbraw/zinc/55/05/28/436550528.db2.gz MKTYAIIMLVQZIQ-IEBWSBKVSA-N 2 2 323.396 3.202 20 0 DGADLP Cc1[nH+]c2c(n1Cc1c[nH+]cn1Cc1ccccc1)CCCC2 ZINC000664048058 436550702 /nfs/dbraw/zinc/55/07/02/436550702.db2.gz CSYMDWCAZGARNX-UHFFFAOYSA-N 2 2 306.413 3.363 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c2c([nH+]1)CCCC2 ZINC000664138260 436564690 /nfs/dbraw/zinc/56/46/90/436564690.db2.gz NBKZGMNYZBCNCR-CQSZACIVSA-N 2 2 302.466 3.196 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c2c([nH+]1)CCCC2 ZINC000664138260 436564692 /nfs/dbraw/zinc/56/46/92/436564692.db2.gz NBKZGMNYZBCNCR-CQSZACIVSA-N 2 2 302.466 3.196 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655680535 436573276 /nfs/dbraw/zinc/57/32/76/436573276.db2.gz OSSSDXXLIYFTCZ-MSOLQXFVSA-N 2 2 312.461 3.391 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655684378 436574073 /nfs/dbraw/zinc/57/40/73/436574073.db2.gz QJVPCVNVMABYNR-SUMWQHHRSA-N 2 2 308.853 3.244 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@@H+]1C ZINC000659984949 436574469 /nfs/dbraw/zinc/57/44/69/436574469.db2.gz ZFVIPCPWYHSSCO-RISCZKNCSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@H+]1C ZINC000659984949 436574471 /nfs/dbraw/zinc/57/44/71/436574471.db2.gz ZFVIPCPWYHSSCO-RISCZKNCSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984949 436574473 /nfs/dbraw/zinc/57/44/73/436574473.db2.gz ZFVIPCPWYHSSCO-RISCZKNCSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984949 436574475 /nfs/dbraw/zinc/57/44/75/436574475.db2.gz ZFVIPCPWYHSSCO-RISCZKNCSA-N 2 2 316.367 3.342 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655688889 436575687 /nfs/dbraw/zinc/57/56/87/436575687.db2.gz AJOXRCOXPKLCLM-INIZCTEOSA-N 2 2 309.417 3.056 20 0 DGADLP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655689986 436575874 /nfs/dbraw/zinc/57/58/74/436575874.db2.gz QKODIFYYRWDGET-DOTOQJQBSA-N 2 2 318.486 3.066 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000655689081 436576471 /nfs/dbraw/zinc/57/64/71/436576471.db2.gz WQXSFGQLOOQAMM-GJZGRUSLSA-N 2 2 314.564 3.222 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110305 436589961 /nfs/dbraw/zinc/58/99/61/436589961.db2.gz AHZHBLBSNFVWHD-CGTJXYLNSA-N 2 2 305.466 3.361 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000660110305 436589964 /nfs/dbraw/zinc/58/99/64/436589964.db2.gz AHZHBLBSNFVWHD-CGTJXYLNSA-N 2 2 305.466 3.361 20 0 DGADLP Cc1nc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000664364045 436590042 /nfs/dbraw/zinc/59/00/42/436590042.db2.gz MFXNFWMCQTUZIN-LJQANCHMSA-N 2 2 324.472 3.155 20 0 DGADLP Cc1nc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000664364045 436590046 /nfs/dbraw/zinc/59/00/46/436590046.db2.gz MFXNFWMCQTUZIN-LJQANCHMSA-N 2 2 324.472 3.155 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1OC(F)F ZINC000660147642 436594320 /nfs/dbraw/zinc/59/43/20/436594320.db2.gz OSNPNQNJMLMGOV-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1OC(F)F ZINC000660147642 436594324 /nfs/dbraw/zinc/59/43/24/436594324.db2.gz OSNPNQNJMLMGOV-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000494693003 302385961 /nfs/dbraw/zinc/38/59/61/302385961.db2.gz GQURBELUBMJQNN-CABCVRRESA-N 2 2 321.465 3.214 20 0 DGADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423738 302887494 /nfs/dbraw/zinc/88/74/94/302887494.db2.gz DZTYXMKLBWHTIU-JCRCQARHSA-N 2 2 313.228 3.015 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000377118878 313019306 /nfs/dbraw/zinc/01/93/06/313019306.db2.gz ZYLUEVQFUVFPBP-SFHVURJKSA-N 2 2 313.445 3.284 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000528728519 313066718 /nfs/dbraw/zinc/06/67/18/313066718.db2.gz OVXICEDNJNUXBR-LJQANCHMSA-N 2 2 314.473 3.251 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529556227 313227170 /nfs/dbraw/zinc/22/71/70/313227170.db2.gz MFKZWCPYRROCSJ-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C34CCC4)oc21 ZINC000530224264 313342880 /nfs/dbraw/zinc/34/28/80/313342880.db2.gz VUJMXIKCAFXZPI-LRDDRELGSA-N 2 2 300.402 3.377 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000530225632 313343070 /nfs/dbraw/zinc/34/30/70/313343070.db2.gz UXBULBOMZKFESL-OCCSQVGLSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000530225632 313343073 /nfs/dbraw/zinc/34/30/73/313343073.db2.gz UXBULBOMZKFESL-OCCSQVGLSA-N 2 2 313.367 3.064 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530529682 313381097 /nfs/dbraw/zinc/38/10/97/313381097.db2.gz FKKJFAWBTRQFIS-WBVHZDCISA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1ncccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530529682 313381099 /nfs/dbraw/zinc/38/10/99/313381099.db2.gz FKKJFAWBTRQFIS-WBVHZDCISA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1CCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000540618660 313969677 /nfs/dbraw/zinc/96/96/77/313969677.db2.gz SBYXJLZYADETAQ-OLZOCXBDSA-N 2 2 308.389 3.059 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000542258260 314065570 /nfs/dbraw/zinc/06/55/70/314065570.db2.gz NYUVLNRWIHUEMT-UHFFFAOYSA-N 2 2 319.449 3.080 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482611 314079298 /nfs/dbraw/zinc/07/92/98/314079298.db2.gz OGMPMJOIBXKUQG-XFKSJGNHSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000542482611 314079301 /nfs/dbraw/zinc/07/93/01/314079301.db2.gz OGMPMJOIBXKUQG-XFKSJGNHSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1ccn(C)n1 ZINC000543602987 314144893 /nfs/dbraw/zinc/14/48/93/314144893.db2.gz WYNIRRAGTAWCPI-HNNXBMFYSA-N 2 2 311.433 3.209 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC)c1ccn(C)n1 ZINC000544567851 314199609 /nfs/dbraw/zinc/19/96/09/314199609.db2.gz IZTRHDJIOSIKAK-ULQDDVLXSA-N 2 2 306.498 3.361 20 0 DGADLP CCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545205747 314232728 /nfs/dbraw/zinc/23/27/28/314232728.db2.gz PRTQDBHOFFXNQL-FUHWJXTLSA-N 2 2 324.509 3.353 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000545310328 314243719 /nfs/dbraw/zinc/24/37/19/314243719.db2.gz KDTFLTZHMAIKLY-MNEFBYGVSA-N 2 2 304.478 3.473 20 0 DGADLP Cc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc2cccnc12 ZINC000551232661 314554246 /nfs/dbraw/zinc/55/42/46/314554246.db2.gz ZQBSEEBUDTWTNK-UHFFFAOYSA-N 2 2 306.413 3.366 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@H](c3cccnc3)C1)CCCC2 ZINC000551569324 314566726 /nfs/dbraw/zinc/56/67/26/314566726.db2.gz OUZBTBIRTCZFRY-RDJZCZTQSA-N 2 2 310.445 3.430 20 0 DGADLP CC1=CC[C@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000556264697 314751400 /nfs/dbraw/zinc/75/14/00/314751400.db2.gz ULRLFWLIGYVEJK-SFHVURJKSA-N 2 2 306.494 3.358 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CC[C@H](C)CC3)c2cc1C ZINC000562994332 315068202 /nfs/dbraw/zinc/06/82/02/315068202.db2.gz XLRZNXUUAFHACC-KBRIMQKVSA-N 2 2 315.461 3.182 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000563352200 315105488 /nfs/dbraw/zinc/10/54/88/315105488.db2.gz GRUKKFYQDHPBAQ-GOEBONIOSA-N 2 2 310.507 3.150 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000563352200 315105491 /nfs/dbraw/zinc/10/54/91/315105491.db2.gz GRUKKFYQDHPBAQ-GOEBONIOSA-N 2 2 310.507 3.150 20 0 DGADLP CCC(O)(CC)C(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000563442897 315116408 /nfs/dbraw/zinc/11/64/08/315116408.db2.gz BWOPXUQAPVSGGK-UHFFFAOYSA-N 2 2 319.493 3.217 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1nc(C(F)(F)F)cs1 ZINC000563442215 315116629 /nfs/dbraw/zinc/11/66/29/315116629.db2.gz YOWHHNOFYXAJOU-SNVBAGLBSA-N 2 2 318.368 3.445 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)s1 ZINC000563462446 315118338 /nfs/dbraw/zinc/11/83/38/315118338.db2.gz YWUPLSGWZKRWJK-DLBZAZTESA-N 2 2 304.434 3.376 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)s1 ZINC000563462446 315118340 /nfs/dbraw/zinc/11/83/40/315118340.db2.gz YWUPLSGWZKRWJK-DLBZAZTESA-N 2 2 304.434 3.376 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3ccsc3)CC2)c1 ZINC000564067215 315154978 /nfs/dbraw/zinc/15/49/78/315154978.db2.gz OBPXSOIWXNIUQF-HNNXBMFYSA-N 2 2 301.459 3.205 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000564701916 315193186 /nfs/dbraw/zinc/19/31/86/315193186.db2.gz LJJFXBLJOFFPSM-HUUCEWRRSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000564701916 315193188 /nfs/dbraw/zinc/19/31/88/315193188.db2.gz LJJFXBLJOFFPSM-HUUCEWRRSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)[C@@H]1CCC[NH2+]1 ZINC000564825520 315203347 /nfs/dbraw/zinc/20/33/47/315203347.db2.gz MSURSHPAMWALDI-BEFAXECRSA-N 2 2 314.429 3.227 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cncnc1C ZINC000565433292 315260985 /nfs/dbraw/zinc/26/09/85/315260985.db2.gz OSPSMYUOGDAGSP-ZDUSSCGKSA-N 2 2 309.417 3.184 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000565783866 315286908 /nfs/dbraw/zinc/28/69/08/315286908.db2.gz DUPCNFBQIRHFAP-MOPGFXCFSA-N 2 2 322.456 3.052 20 0 DGADLP Cc1c[nH+]c(C)nc1N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000565783866 315286912 /nfs/dbraw/zinc/28/69/12/315286912.db2.gz DUPCNFBQIRHFAP-MOPGFXCFSA-N 2 2 322.456 3.052 20 0 DGADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000565939078 315299255 /nfs/dbraw/zinc/29/92/55/315299255.db2.gz JKQKIYZKMQPCER-MAUKXSAKSA-N 2 2 313.445 3.382 20 0 DGADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000566054733 315307541 /nfs/dbraw/zinc/30/75/41/315307541.db2.gz RSPUECKFCQBDQJ-SFHVURJKSA-N 2 2 321.896 3.159 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cn1 ZINC000566661331 315366158 /nfs/dbraw/zinc/36/61/58/315366158.db2.gz WVMYYVFEKZBZOF-HLVVYCRESA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC000566661331 315366159 /nfs/dbraw/zinc/36/61/59/315366159.db2.gz WVMYYVFEKZBZOF-HLVVYCRESA-N 2 2 324.266 3.120 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566941256 315384928 /nfs/dbraw/zinc/38/49/28/315384928.db2.gz OXALBCAXYHMIFL-CYBMUJFWSA-N 2 2 305.809 3.072 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1sccc1Br ZINC000567674665 315440556 /nfs/dbraw/zinc/44/05/56/315440556.db2.gz WHOJWIVFWUUBHW-FBIMIBRVSA-N 2 2 303.269 3.431 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@H]([NH3+])CC3CCCCC3)ccc2n1C ZINC000568996796 315551084 /nfs/dbraw/zinc/55/10/84/315551084.db2.gz BNBNMNCHJWWBSR-OAHLLOKOSA-N 2 2 314.433 3.118 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000569074000 315555470 /nfs/dbraw/zinc/55/54/70/315555470.db2.gz SUEPMFNWFZXGFF-QXGSTGNESA-N 2 2 304.478 3.397 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCc2c[nH]c3ccc(F)cc23)n1C ZINC000570107797 315625184 /nfs/dbraw/zinc/62/51/84/315625184.db2.gz PQIDXBAOGNTNPF-UHFFFAOYSA-N 2 2 300.381 3.071 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000573256128 315851904 /nfs/dbraw/zinc/85/19/04/315851904.db2.gz AHMWUBRDYBUQIU-UHFFFAOYSA-N 2 2 310.869 3.239 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000574836212 316005447 /nfs/dbraw/zinc/00/54/47/316005447.db2.gz ZQMMOSLALDBSQK-PKOBYXMFSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000574836212 316005450 /nfs/dbraw/zinc/00/54/50/316005450.db2.gz ZQMMOSLALDBSQK-PKOBYXMFSA-N 2 2 314.473 3.159 20 0 DGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs2)cc1 ZINC000574877036 316010451 /nfs/dbraw/zinc/01/04/51/316010451.db2.gz GSATWFPWINKQGZ-KGLIPLIRSA-N 2 2 319.474 3.246 20 0 DGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000574987219 316021790 /nfs/dbraw/zinc/02/17/90/316021790.db2.gz NFWMZCXGNOIVFG-HNNXBMFYSA-N 2 2 314.433 3.348 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)c1 ZINC000575134228 316036796 /nfs/dbraw/zinc/03/67/96/316036796.db2.gz QKGVIFHEYLAPBF-GXTWGEPZSA-N 2 2 317.458 3.130 20 0 DGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)c1 ZINC000575134228 316036799 /nfs/dbraw/zinc/03/67/99/316036799.db2.gz QKGVIFHEYLAPBF-GXTWGEPZSA-N 2 2 317.458 3.130 20 0 DGADLP CC(C)O[C@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000576290072 316115525 /nfs/dbraw/zinc/11/55/25/316115525.db2.gz YCGVMXLGGVNDCE-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)c1ccccc1 ZINC000576290072 316115529 /nfs/dbraw/zinc/11/55/29/316115529.db2.gz YCGVMXLGGVNDCE-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1ccccc1 ZINC000576290072 316115532 /nfs/dbraw/zinc/11/55/32/316115532.db2.gz YCGVMXLGGVNDCE-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000576290072 316115535 /nfs/dbraw/zinc/11/55/35/316115535.db2.gz YCGVMXLGGVNDCE-IPMKNSEASA-N 2 2 302.462 3.321 20 0 DGADLP c1cn(CCCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c[nH+]1 ZINC000576375518 316124225 /nfs/dbraw/zinc/12/42/25/316124225.db2.gz ZOLPZOBAFVJXNZ-UHFFFAOYSA-N 3 2 304.482 3.050 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594367 316147035 /nfs/dbraw/zinc/14/70/35/316147035.db2.gz UKENWAUIRJKZTJ-ONGXEEELSA-N 2 2 304.768 3.253 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594367 316147038 /nfs/dbraw/zinc/14/70/38/316147038.db2.gz UKENWAUIRJKZTJ-ONGXEEELSA-N 2 2 304.768 3.253 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505478 316243280 /nfs/dbraw/zinc/24/32/80/316243280.db2.gz JNBOPXPWFZDYDN-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505478 316243284 /nfs/dbraw/zinc/24/32/84/316243284.db2.gz JNBOPXPWFZDYDN-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505478 316243288 /nfs/dbraw/zinc/24/32/88/316243288.db2.gz JNBOPXPWFZDYDN-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000577505478 316243291 /nfs/dbraw/zinc/24/32/91/316243291.db2.gz JNBOPXPWFZDYDN-HXUWFJFHSA-N 2 2 312.457 3.117 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000577960552 316288677 /nfs/dbraw/zinc/28/86/77/316288677.db2.gz LJOHKNATQWUIDB-OAHLLOKOSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000577960552 316288680 /nfs/dbraw/zinc/28/86/80/316288680.db2.gz LJOHKNATQWUIDB-OAHLLOKOSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000577960551 316288876 /nfs/dbraw/zinc/28/88/76/316288876.db2.gz LJOHKNATQWUIDB-HNNXBMFYSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000577960551 316288877 /nfs/dbraw/zinc/28/88/77/316288877.db2.gz LJOHKNATQWUIDB-HNNXBMFYSA-N 2 2 322.412 3.373 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922786 323217036 /nfs/dbraw/zinc/21/70/36/323217036.db2.gz OIBPCDIENOXPHM-HLLBOEOZSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922786 323217037 /nfs/dbraw/zinc/21/70/37/323217037.db2.gz OIBPCDIENOXPHM-HLLBOEOZSA-N 2 2 302.466 3.213 20 0 DGADLP Fc1ccc([C@@H]2CN(CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000182747408 323310737 /nfs/dbraw/zinc/31/07/37/323310737.db2.gz BYMATEJIJMOWDV-INIZCTEOSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1ccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000182747408 323310740 /nfs/dbraw/zinc/31/07/40/323310740.db2.gz BYMATEJIJMOWDV-INIZCTEOSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1ccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000182747408 323310742 /nfs/dbraw/zinc/31/07/42/323310742.db2.gz BYMATEJIJMOWDV-INIZCTEOSA-N 2 2 323.799 3.139 20 0 DGADLP Cc1cc[nH+]c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2C)c1 ZINC000183873465 323348926 /nfs/dbraw/zinc/34/89/26/323348926.db2.gz DAIXTFJAUAXAKL-SFHVURJKSA-N 2 2 311.429 3.184 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000185303972 323386898 /nfs/dbraw/zinc/38/68/98/323386898.db2.gz JPCZFGMVCOGUJG-SQWLQELKSA-N 2 2 320.452 3.228 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000185303972 323386903 /nfs/dbraw/zinc/38/69/03/323386903.db2.gz JPCZFGMVCOGUJG-SQWLQELKSA-N 2 2 320.452 3.228 20 0 DGADLP Cc1c[nH+]ccc1NC[C@@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000191979836 323451518 /nfs/dbraw/zinc/45/15/18/323451518.db2.gz WRHMOMVPOADEEU-SFHVURJKSA-N 2 2 315.392 3.015 20 0 DGADLP CCC[NH+](CCC)CCCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351233822 323577551 /nfs/dbraw/zinc/57/75/51/323577551.db2.gz MJBHGGWVKOBRDD-UHFFFAOYSA-N 2 2 316.449 3.418 20 0 DGADLP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000387292931 323642824 /nfs/dbraw/zinc/64/28/24/323642824.db2.gz INRORBVDCDYWSB-UHFFFAOYSA-N 3 2 300.450 3.082 20 0 DGADLP CCc1nc2cc(C[NH2+]Cc3c[nH+]c(C)n3C)ccc2n1C1CC1 ZINC000579006953 323811520 /nfs/dbraw/zinc/81/15/20/323811520.db2.gz UTELPFGQBQHVDM-UHFFFAOYSA-N 2 2 323.444 3.265 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000581243552 324094650 /nfs/dbraw/zinc/09/46/50/324094650.db2.gz MBVBIOLVLMRRJV-MSOLQXFVSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000581243552 324094653 /nfs/dbraw/zinc/09/46/53/324094653.db2.gz MBVBIOLVLMRRJV-MSOLQXFVSA-N 2 2 311.429 3.047 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cn3ccccc3n1)CCC2 ZINC000581380321 324112462 /nfs/dbraw/zinc/11/24/62/324112462.db2.gz PVVMTTMUKGSIOT-GJZGRUSLSA-N 2 2 309.417 3.067 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)n2c1 ZINC000581588500 324132937 /nfs/dbraw/zinc/13/29/37/324132937.db2.gz PGUHDYKCSTXBHD-AEFFLSMTSA-N 2 2 322.412 3.048 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828879 324157507 /nfs/dbraw/zinc/15/75/07/324157507.db2.gz UVFZNEIZNSKSEB-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828879 324157511 /nfs/dbraw/zinc/15/75/11/324157511.db2.gz UVFZNEIZNSKSEB-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000581828879 324157514 /nfs/dbraw/zinc/15/75/14/324157514.db2.gz UVFZNEIZNSKSEB-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000581828879 324157520 /nfs/dbraw/zinc/15/75/20/324157520.db2.gz UVFZNEIZNSKSEB-HNAYVOBHSA-N 2 2 318.436 3.283 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041644 324181300 /nfs/dbraw/zinc/18/13/00/324181300.db2.gz QXTUKURGNXNKEW-YJBOKZPZSA-N 2 2 308.441 3.225 20 0 DGADLP COCCC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041644 324181301 /nfs/dbraw/zinc/18/13/01/324181301.db2.gz QXTUKURGNXNKEW-YJBOKZPZSA-N 2 2 308.441 3.225 20 0 DGADLP Cc1cnccc1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000582060267 324183845 /nfs/dbraw/zinc/18/38/45/324183845.db2.gz ZTXLDRQBQVVLLM-UHFFFAOYSA-N 2 2 312.461 3.321 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000583018683 324302132 /nfs/dbraw/zinc/30/21/32/324302132.db2.gz BOJLMYLRLYITDV-YJBOKZPZSA-N 2 2 311.429 3.002 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000583641443 324379792 /nfs/dbraw/zinc/37/97/92/324379792.db2.gz PYMPVFOFEVRPQG-LBTNJELSSA-N 2 2 300.402 3.237 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1sccc1Br ZINC000037320433 337364544 /nfs/dbraw/zinc/36/45/44/337364544.db2.gz QMFAZNMNCYLULJ-ZJUUUORDSA-N 2 2 314.252 3.446 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000395254212 1176787265 /nfs/dbraw/zinc/78/72/65/1176787265.db2.gz ZOZCVNRHTJMCJB-LBPRGKRZSA-N 2 2 308.223 3.132 20 0 DGADLP COc1cccc([C@H]([NH2+]CCC[NH3+])c2ccccc2Cl)c1 ZINC000415083211 533783218 /nfs/dbraw/zinc/78/32/18/533783218.db2.gz NDFFJLVFBJOSGI-KRWDZBQOSA-N 2 2 304.821 3.376 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C2(C)CC[NH2+]CC2)cc1Cl ZINC000414944730 533931240 /nfs/dbraw/zinc/93/12/40/533931240.db2.gz QIHWJPUHBOUPGS-UHFFFAOYSA-N 2 2 303.233 3.234 20 0 DGADLP COc1ccccc1/C=C\C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415053646 533958969 /nfs/dbraw/zinc/95/89/69/533958969.db2.gz OYLCUFMHTKAZTE-JKLKHEODSA-N 2 2 308.425 3.054 20 0 DGADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996682 534035261 /nfs/dbraw/zinc/03/52/61/534035261.db2.gz BMUXEIMYWHKIRY-MBOZVWFJSA-N 2 2 324.472 3.034 20 0 DGADLP C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1 ZINC000428996682 534035268 /nfs/dbraw/zinc/03/52/68/534035268.db2.gz BMUXEIMYWHKIRY-MBOZVWFJSA-N 2 2 324.472 3.034 20 0 DGADLP Cc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415134127 534054803 /nfs/dbraw/zinc/05/48/03/534054803.db2.gz NUJSIEJWLYTIRN-UHFFFAOYSA-N 3 2 323.484 3.078 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430624298 534134051 /nfs/dbraw/zinc/13/40/51/534134051.db2.gz OWCFYQAZCAKWDV-NWDGAFQWSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430624298 534134056 /nfs/dbraw/zinc/13/40/56/534134056.db2.gz OWCFYQAZCAKWDV-NWDGAFQWSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720099 534164281 /nfs/dbraw/zinc/16/42/81/534164281.db2.gz DOKTZIPYHDZMJH-IEBWSBKVSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720099 534164286 /nfs/dbraw/zinc/16/42/86/534164286.db2.gz DOKTZIPYHDZMJH-IEBWSBKVSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429720099 534164287 /nfs/dbraw/zinc/16/42/87/534164287.db2.gz DOKTZIPYHDZMJH-IEBWSBKVSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429720099 534164288 /nfs/dbraw/zinc/16/42/88/534164288.db2.gz DOKTZIPYHDZMJH-IEBWSBKVSA-N 2 2 302.462 3.152 20 0 DGADLP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000430738806 534423010 /nfs/dbraw/zinc/42/30/10/534423010.db2.gz GKYARPVCBLMCJY-AWEZNQCLSA-N 2 2 309.404 3.071 20 0 DGADLP c1ccc(COCc2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC000415089130 534490226 /nfs/dbraw/zinc/49/02/26/534490226.db2.gz MUQDPYLTXWIMIE-FQEVSTJZSA-N 2 2 310.441 3.245 20 0 DGADLP c1ccc([C@H](C[NH+]2CCCC2)Nc2cc(NC3CC3)[nH+]cn2)cc1 ZINC000413042597 534498966 /nfs/dbraw/zinc/49/89/66/534498966.db2.gz IJOPGSCIYPXSEK-KRWDZBQOSA-N 2 2 323.444 3.300 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]3C3CC3)CC2)c1 ZINC000414192694 534506951 /nfs/dbraw/zinc/50/69/51/534506951.db2.gz MEOAFBCWZXWARO-ICSRJNTNSA-N 2 2 313.489 3.462 20 0 DGADLP Fc1ccccc1-c1csc(C[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000415108885 534529374 /nfs/dbraw/zinc/52/93/74/534529374.db2.gz QUEYLRKWRPIQII-LBPRGKRZSA-N 2 2 305.422 3.038 20 0 DGADLP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000156059271 521920539 /nfs/dbraw/zinc/92/05/39/521920539.db2.gz GJQFBNWKWIAHEZ-UHFFFAOYSA-N 2 2 320.396 3.391 20 0 DGADLP Cc1nc(N2CC[NH+](C3CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000302103572 534621213 /nfs/dbraw/zinc/62/12/13/534621213.db2.gz QXNSYSQCOSGWPQ-UHFFFAOYSA-N 2 2 314.477 3.119 20 0 DGADLP Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)c2c([nH+]1)CCCC2 ZINC000302069461 534624400 /nfs/dbraw/zinc/62/44/00/534624400.db2.gz XOWPTOLXUFEGHS-UHFFFAOYSA-N 2 2 319.412 3.462 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302114352 534623788 /nfs/dbraw/zinc/62/37/88/534623788.db2.gz VOBBQQMVCVPVIS-OAHLLOKOSA-N 2 2 302.466 3.054 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302114352 534623790 /nfs/dbraw/zinc/62/37/90/534623790.db2.gz VOBBQQMVCVPVIS-OAHLLOKOSA-N 2 2 302.466 3.054 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C1CCCC1 ZINC000415073089 534678849 /nfs/dbraw/zinc/67/88/49/534678849.db2.gz ZASKRMWFQNOBQT-QGZVFWFLSA-N 2 2 318.852 3.133 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000294241418 534689415 /nfs/dbraw/zinc/68/94/15/534689415.db2.gz MXLWAJCKOYGFLW-CQSZACIVSA-N 2 2 309.413 3.271 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(CNc2[nH]c3ccccc3[nH+]2)cn1 ZINC000301865172 534766776 /nfs/dbraw/zinc/76/67/76/534766776.db2.gz HAOCWOGMWSOXJS-UHFFFAOYSA-N 2 2 304.357 3.064 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000157317996 524450851 /nfs/dbraw/zinc/45/08/51/524450851.db2.gz ZIGCQJKQXBPWIW-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000157317996 524450863 /nfs/dbraw/zinc/45/08/63/524450863.db2.gz ZIGCQJKQXBPWIW-GOSISDBHSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000157055411 525116141 /nfs/dbraw/zinc/11/61/41/525116141.db2.gz FXADTODANNARIC-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000157055411 525116144 /nfs/dbraw/zinc/11/61/44/525116144.db2.gz FXADTODANNARIC-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc([C@@H](CNc2cccc(C)[nH+]2)[NH+]2CCOCC2)cc1 ZINC000157159523 525766670 /nfs/dbraw/zinc/76/66/70/525766670.db2.gz XJNFLRRWBCYTDX-GOSISDBHSA-N 2 2 311.429 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000163295669 527399904 /nfs/dbraw/zinc/39/99/04/527399904.db2.gz BRFNGFIETLRBCP-PBHICJAKSA-N 2 2 319.474 3.495 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000163295669 527399913 /nfs/dbraw/zinc/39/99/13/527399913.db2.gz BRFNGFIETLRBCP-PBHICJAKSA-N 2 2 319.474 3.495 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000163344055 527441392 /nfs/dbraw/zinc/44/13/92/527441392.db2.gz DUBXAZMPCKGAMI-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000163344055 527441397 /nfs/dbraw/zinc/44/13/97/527441397.db2.gz DUBXAZMPCKGAMI-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000415040952 527793199 /nfs/dbraw/zinc/79/31/99/527793199.db2.gz OVKMIXSRWKVIGP-LBPRGKRZSA-N 2 2 317.658 3.333 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000415036441 527795060 /nfs/dbraw/zinc/79/50/60/527795060.db2.gz JVTLYTXPKOJCFP-GFCCVEGCSA-N 2 2 317.658 3.333 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726910 527821758 /nfs/dbraw/zinc/82/17/58/527821758.db2.gz GZTIFDQJTJTJNL-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726910 527821763 /nfs/dbraw/zinc/82/17/63/527821763.db2.gz GZTIFDQJTJTJNL-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726910 527821765 /nfs/dbraw/zinc/82/17/65/527821765.db2.gz GZTIFDQJTJTJNL-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432726910 527821770 /nfs/dbraw/zinc/82/17/70/527821770.db2.gz GZTIFDQJTJTJNL-LBPRGKRZSA-N 2 2 307.438 3.209 20 0 DGADLP CCN(C)c1ccc(CN2C[C@H](C)[NH2+]Cc3ccccc32)c[nH+]1 ZINC000415102043 527865549 /nfs/dbraw/zinc/86/55/49/527865549.db2.gz OLEODWJMUOJRME-HNNXBMFYSA-N 2 2 310.445 3.036 20 0 DGADLP CCN(C)c1ccc(CN2C[C@@H](C)[NH2+]Cc3ccccc32)c[nH+]1 ZINC000415102363 527866387 /nfs/dbraw/zinc/86/63/87/527866387.db2.gz OLEODWJMUOJRME-OAHLLOKOSA-N 2 2 310.445 3.036 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000428090263 527881190 /nfs/dbraw/zinc/88/11/90/527881190.db2.gz JCEZXJFAUCIUFR-XBMUEBEBSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000428090263 527881195 /nfs/dbraw/zinc/88/11/95/527881195.db2.gz JCEZXJFAUCIUFR-XBMUEBEBSA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCC2 ZINC000181672914 528141284 /nfs/dbraw/zinc/14/12/84/528141284.db2.gz LQFUQYFKPIXZTE-HOTGVXAUSA-N 2 2 303.450 3.211 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000432787925 528171811 /nfs/dbraw/zinc/17/18/11/528171811.db2.gz IUIKXPCFQJRBFE-GJZGRUSLSA-N 2 2 321.513 3.092 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000316595079 528193139 /nfs/dbraw/zinc/19/31/39/528193139.db2.gz GIHCFUACURLRCF-INIZCTEOSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000316595079 528193144 /nfs/dbraw/zinc/19/31/44/528193144.db2.gz GIHCFUACURLRCF-INIZCTEOSA-N 2 2 305.466 3.054 20 0 DGADLP CC[NH+](CC)Cc1ccccc1CNc1nc[nH+]c(N)c1Cl ZINC000302069414 528199808 /nfs/dbraw/zinc/19/98/08/528199808.db2.gz XMGZRCAVLYRSIO-UHFFFAOYSA-N 2 2 319.840 3.166 20 0 DGADLP CC[NH+](CC)Cc1ccccc1CNc1[nH+]cnc(N)c1Cl ZINC000302069414 528199813 /nfs/dbraw/zinc/19/98/13/528199813.db2.gz XMGZRCAVLYRSIO-UHFFFAOYSA-N 2 2 319.840 3.166 20 0 DGADLP CC(C)c1cnc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000328642192 528217020 /nfs/dbraw/zinc/21/70/20/528217020.db2.gz QYLYQFIRORYLMV-TZMCWYRMSA-N 2 2 320.462 3.010 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1cc(NC2CC2)[nH+]cn1)c1ccco1 ZINC000413079380 528248957 /nfs/dbraw/zinc/24/89/57/528248957.db2.gz CKDATEJQGNMODV-AWEZNQCLSA-N 2 2 315.421 3.139 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423240942 528332520 /nfs/dbraw/zinc/33/25/20/528332520.db2.gz HMJGRINHMOLOIW-KRWDZBQOSA-N 2 2 303.837 3.218 20 0 DGADLP CCOc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000434658355 528351112 /nfs/dbraw/zinc/35/11/12/528351112.db2.gz CVWNSKKDXOIDJA-UHFFFAOYSA-N 2 2 317.458 3.132 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000430573509 528509577 /nfs/dbraw/zinc/50/95/77/528509577.db2.gz RJVHYFMGUHZHBN-RYUDHWBXSA-N 2 2 308.451 3.164 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000430573509 528509583 /nfs/dbraw/zinc/50/95/83/528509583.db2.gz RJVHYFMGUHZHBN-RYUDHWBXSA-N 2 2 308.451 3.164 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(CO)CCC1 ZINC000292859341 528590668 /nfs/dbraw/zinc/59/06/68/528590668.db2.gz VDDGMDKWPVRMKD-GOSISDBHSA-N 2 2 313.445 3.149 20 0 DGADLP CC(C)n1cncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000424136667 528624463 /nfs/dbraw/zinc/62/44/63/528624463.db2.gz BCIQKLBAQYVLHO-UHFFFAOYSA-N 2 2 304.482 3.351 20 0 DGADLP CCC(CC)(C[NH2+][C@@H](C)C1C[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000422754109 528693486 /nfs/dbraw/zinc/69/34/86/528693486.db2.gz DRKCUQYUDVQVCU-JKSUJKDBSA-N 3 2 303.494 3.094 20 0 DGADLP CCCc1nc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000428447744 528719889 /nfs/dbraw/zinc/71/98/89/528719889.db2.gz NKOSYEGHXPSVRY-UHFFFAOYSA-N 2 2 305.466 3.386 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000309695453 528787705 /nfs/dbraw/zinc/78/77/05/528787705.db2.gz DVSNBHMKBMJRRL-AFYVEPGGSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000309695453 528787710 /nfs/dbraw/zinc/78/77/10/528787710.db2.gz DVSNBHMKBMJRRL-AFYVEPGGSA-N 2 2 316.489 3.443 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(Cl)n1 ZINC000295658412 528865284 /nfs/dbraw/zinc/86/52/84/528865284.db2.gz ANPZGQSDFDCALY-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(Cl)n1 ZINC000295658412 528865291 /nfs/dbraw/zinc/86/52/91/528865291.db2.gz ANPZGQSDFDCALY-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C/C=C\c1ccncc1)C2 ZINC000486981926 535138615 /nfs/dbraw/zinc/13/86/15/535138615.db2.gz ACWUSGXUOQYSQK-AWFCHZOYSA-N 2 2 310.445 3.193 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398485 535340667 /nfs/dbraw/zinc/34/06/67/535340667.db2.gz VEYZXGYLAFGKQP-VQTJNVASSA-N 2 2 318.505 3.224 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398485 535340672 /nfs/dbraw/zinc/34/06/72/535340672.db2.gz VEYZXGYLAFGKQP-VQTJNVASSA-N 2 2 318.505 3.224 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000469321143 535768510 /nfs/dbraw/zinc/76/85/10/535768510.db2.gz XBOUTADHAPWNIO-MHORFTMASA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000469321143 535768512 /nfs/dbraw/zinc/76/85/12/535768512.db2.gz XBOUTADHAPWNIO-MHORFTMASA-N 3 2 309.542 3.063 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000469321143 535768515 /nfs/dbraw/zinc/76/85/15/535768515.db2.gz XBOUTADHAPWNIO-MHORFTMASA-N 3 2 309.542 3.063 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000469321143 535768516 /nfs/dbraw/zinc/76/85/16/535768516.db2.gz XBOUTADHAPWNIO-MHORFTMASA-N 3 2 309.542 3.063 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc2ccccc21 ZINC000449228687 536773841 /nfs/dbraw/zinc/77/38/41/536773841.db2.gz USUPLQIBBXHIIN-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc2ccccc21 ZINC000449228687 536773848 /nfs/dbraw/zinc/77/38/48/536773848.db2.gz USUPLQIBBXHIIN-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc2ccccc21 ZINC000449228687 536773851 /nfs/dbraw/zinc/77/38/51/536773851.db2.gz USUPLQIBBXHIIN-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc2ccccc21 ZINC000449228687 536773857 /nfs/dbraw/zinc/77/38/57/536773857.db2.gz USUPLQIBBXHIIN-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000493694882 536907294 /nfs/dbraw/zinc/90/72/94/536907294.db2.gz YHVMEFVVHXQFGN-YGTYGHESSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000493694882 536907299 /nfs/dbraw/zinc/90/72/99/536907299.db2.gz YHVMEFVVHXQFGN-YGTYGHESSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000493694879 536907658 /nfs/dbraw/zinc/90/76/58/536907658.db2.gz YHVMEFVVHXQFGN-BKEDOTJMSA-N 2 2 302.462 3.260 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000493694879 536907661 /nfs/dbraw/zinc/90/76/61/536907661.db2.gz YHVMEFVVHXQFGN-BKEDOTJMSA-N 2 2 302.462 3.260 20 0 DGADLP COc1cccc2c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cccc12 ZINC000449193314 536932882 /nfs/dbraw/zinc/93/28/82/536932882.db2.gz MZTZFPHFRIKAKZ-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cccc2c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)cccc12 ZINC000449193314 536932885 /nfs/dbraw/zinc/93/28/85/536932885.db2.gz MZTZFPHFRIKAKZ-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2CO)C[N@@H+]1Cc1ccccc1 ZINC000090171254 545822359 /nfs/dbraw/zinc/82/23/59/545822359.db2.gz UOOUDXNVQQIFGQ-FQEVSTJZSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2CO)C[N@H+]1Cc1ccccc1 ZINC000090171254 545822363 /nfs/dbraw/zinc/82/23/63/545822363.db2.gz UOOUDXNVQQIFGQ-FQEVSTJZSA-N 2 2 324.468 3.322 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187403 545825208 /nfs/dbraw/zinc/82/52/08/545825208.db2.gz WKLXQGCXKMVRLO-SJLPKXTDSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187403 545825216 /nfs/dbraw/zinc/82/52/16/545825216.db2.gz WKLXQGCXKMVRLO-SJLPKXTDSA-N 2 2 318.505 3.426 20 0 DGADLP C(c1noc2c1CCCC2)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134893565 545975935 /nfs/dbraw/zinc/97/59/35/545975935.db2.gz MYMFAYSQFHBTRF-KDOFPFPSSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134893565 545975939 /nfs/dbraw/zinc/97/59/39/545975939.db2.gz MYMFAYSQFHBTRF-KDOFPFPSSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134893565 545975940 /nfs/dbraw/zinc/97/59/40/545975940.db2.gz MYMFAYSQFHBTRF-KDOFPFPSSA-N 2 2 315.461 3.002 20 0 DGADLP C(c1noc2c1CCCC2)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134893565 545975943 /nfs/dbraw/zinc/97/59/43/545975943.db2.gz MYMFAYSQFHBTRF-KDOFPFPSSA-N 2 2 315.461 3.002 20 0 DGADLP CCCCOc1ncccc1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000154740407 546020869 /nfs/dbraw/zinc/02/08/69/546020869.db2.gz QXYCSAJPBASENR-UHFFFAOYSA-N 2 2 305.466 3.225 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000155911848 546030693 /nfs/dbraw/zinc/03/06/93/546030693.db2.gz SRLWXOBOXZPJRS-HNNXBMFYSA-N 3 2 314.477 3.055 20 0 DGADLP CN(C)c1nc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000157013818 546037679 /nfs/dbraw/zinc/03/76/79/546037679.db2.gz DKDUJHRJLMAEST-UHFFFAOYSA-N 2 2 322.522 3.096 20 0 DGADLP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157776781 546043493 /nfs/dbraw/zinc/04/34/93/546043493.db2.gz VUZURMLKSOKTKL-SJLPKXTDSA-N 2 2 302.487 3.091 20 0 DGADLP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157776781 546043494 /nfs/dbraw/zinc/04/34/94/546043494.db2.gz VUZURMLKSOKTKL-SJLPKXTDSA-N 2 2 302.487 3.091 20 0 DGADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157776641 546043962 /nfs/dbraw/zinc/04/39/62/546043962.db2.gz VUZURMLKSOKTKL-AEFFLSMTSA-N 2 2 302.487 3.091 20 0 DGADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157776641 546043965 /nfs/dbraw/zinc/04/39/65/546043965.db2.gz VUZURMLKSOKTKL-AEFFLSMTSA-N 2 2 302.487 3.091 20 0 DGADLP CCc1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000158942226 546049272 /nfs/dbraw/zinc/04/92/72/546049272.db2.gz OHRLLAVUVSRHHU-OAHLLOKOSA-N 2 2 320.481 3.109 20 0 DGADLP CCc1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000158942226 546049276 /nfs/dbraw/zinc/04/92/76/546049276.db2.gz OHRLLAVUVSRHHU-OAHLLOKOSA-N 2 2 320.481 3.109 20 0 DGADLP CCc1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158942100 546049510 /nfs/dbraw/zinc/04/95/10/546049510.db2.gz OHRLLAVUVSRHHU-HNNXBMFYSA-N 2 2 320.481 3.109 20 0 DGADLP CCc1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158942100 546049513 /nfs/dbraw/zinc/04/95/13/546049513.db2.gz OHRLLAVUVSRHHU-HNNXBMFYSA-N 2 2 320.481 3.109 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2coc(-c3cccs3)n2)CC1 ZINC000161656588 546072599 /nfs/dbraw/zinc/07/25/99/546072599.db2.gz NPEIRHNCILKHGH-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000163710621 546085170 /nfs/dbraw/zinc/08/51/70/546085170.db2.gz CBRWKWZZSRNTIO-AWEZNQCLSA-N 2 2 308.491 3.170 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)c1 ZINC000166323874 546094666 /nfs/dbraw/zinc/09/46/66/546094666.db2.gz CUZATGFSKZGHNL-GXTWGEPZSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)co2)c1 ZINC000166323874 546094673 /nfs/dbraw/zinc/09/46/73/546094673.db2.gz CUZATGFSKZGHNL-GXTWGEPZSA-N 2 2 303.431 3.120 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000180166068 546142478 /nfs/dbraw/zinc/14/24/78/546142478.db2.gz GUUNGZKADBGZOK-ZDUSSCGKSA-N 2 2 316.424 3.172 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000180540725 546145739 /nfs/dbraw/zinc/14/57/39/546145739.db2.gz GSARXNREBGLPJN-KGLIPLIRSA-N 2 2 300.450 3.498 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000180540675 546145759 /nfs/dbraw/zinc/14/57/59/546145759.db2.gz GSARXNREBGLPJN-UONOGXRCSA-N 2 2 300.450 3.498 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180727132 546148092 /nfs/dbraw/zinc/14/80/92/546148092.db2.gz KBTCKIIHEIYBEO-RVKKMQEKSA-N 2 2 312.461 3.422 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180727132 546148097 /nfs/dbraw/zinc/14/80/97/546148097.db2.gz KBTCKIIHEIYBEO-RVKKMQEKSA-N 2 2 312.461 3.422 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245560939 546297845 /nfs/dbraw/zinc/29/78/45/546297845.db2.gz CALZWBORXCSQPJ-LIRRHRJNSA-N 2 2 321.428 3.218 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245560939 546297848 /nfs/dbraw/zinc/29/78/48/546297848.db2.gz CALZWBORXCSQPJ-LIRRHRJNSA-N 2 2 321.428 3.218 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000247099312 546308722 /nfs/dbraw/zinc/30/87/22/546308722.db2.gz SGMRTMADVHZBFB-BLIXFSHQSA-N 2 2 321.468 3.222 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000247099312 546308728 /nfs/dbraw/zinc/30/87/28/546308728.db2.gz SGMRTMADVHZBFB-BLIXFSHQSA-N 2 2 321.468 3.222 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000251804910 546330239 /nfs/dbraw/zinc/33/02/39/546330239.db2.gz OHPFBOLOQLZJEV-DGCLKSJQSA-N 2 2 302.340 3.144 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@H]1[NH3+] ZINC000251804910 546330241 /nfs/dbraw/zinc/33/02/41/546330241.db2.gz OHPFBOLOQLZJEV-DGCLKSJQSA-N 2 2 302.340 3.144 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000251873730 546331091 /nfs/dbraw/zinc/33/10/91/546331091.db2.gz UPLOSGWDOMQOEH-MWLCHTKSSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000251873730 546331095 /nfs/dbraw/zinc/33/10/95/546331095.db2.gz UPLOSGWDOMQOEH-MWLCHTKSSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc2ccccc2n1C(F)F ZINC000276611400 546367314 /nfs/dbraw/zinc/36/73/14/546367314.db2.gz GUIARBVGFWQIJC-LLVKDONJSA-N 2 2 319.359 3.058 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(CC)[nH+]c(C)n1 ZINC000277266437 546368722 /nfs/dbraw/zinc/36/87/22/546368722.db2.gz XJUXMBIPQFAYKI-UHFFFAOYSA-N 2 2 301.438 3.023 20 0 DGADLP CCc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)nc(C)[nH+]1 ZINC000278358587 546370360 /nfs/dbraw/zinc/37/03/60/546370360.db2.gz CSBFTZQUPKCSKV-UHFFFAOYSA-N 2 2 312.417 3.099 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000281565650 546388470 /nfs/dbraw/zinc/38/84/70/546388470.db2.gz KAPLQIDLHBZVEK-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218106 546415649 /nfs/dbraw/zinc/41/56/49/546415649.db2.gz QPZSBQKMDOYAKO-FUHWJXTLSA-N 2 2 312.461 3.363 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218106 546415652 /nfs/dbraw/zinc/41/56/52/546415652.db2.gz QPZSBQKMDOYAKO-FUHWJXTLSA-N 2 2 312.461 3.363 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cscc1Br ZINC000304601847 546440806 /nfs/dbraw/zinc/44/08/06/546440806.db2.gz QMGUFHPJALMIHX-UHFFFAOYSA-N 2 2 305.285 3.188 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000309868397 546451913 /nfs/dbraw/zinc/45/19/13/546451913.db2.gz QCJMYONQXFSLFO-RCCFBDPRSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000309868397 546451917 /nfs/dbraw/zinc/45/19/17/546451917.db2.gz QCJMYONQXFSLFO-RCCFBDPRSA-N 2 2 308.429 3.108 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(-c3ccccc3)n1)C2 ZINC000319524289 546465565 /nfs/dbraw/zinc/46/55/65/546465565.db2.gz CJQZYUFLRBTJBM-YJBOKZPZSA-N 2 2 313.470 3.371 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(-c3ccccc3)n1)C2 ZINC000319524289 546465568 /nfs/dbraw/zinc/46/55/68/546465568.db2.gz CJQZYUFLRBTJBM-YJBOKZPZSA-N 2 2 313.470 3.371 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339068582 546532792 /nfs/dbraw/zinc/53/27/92/546532792.db2.gz RKINOLYTRJWBGI-FHWLQOOXSA-N 3 2 307.526 3.103 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000339068582 546532796 /nfs/dbraw/zinc/53/27/96/546532796.db2.gz RKINOLYTRJWBGI-FHWLQOOXSA-N 3 2 307.526 3.103 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[C@H]3C3CC3)[nH+]c2)CC1 ZINC000348383101 546589196 /nfs/dbraw/zinc/58/91/96/546589196.db2.gz IPDLAQRBYUDLEM-ROUUACIJSA-N 2 2 314.477 3.213 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350762239 546622345 /nfs/dbraw/zinc/62/23/45/546622345.db2.gz HOSGYQJMFQALIP-QGZVFWFLSA-N 2 2 324.472 3.102 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350762239 546622351 /nfs/dbraw/zinc/62/23/51/546622351.db2.gz HOSGYQJMFQALIP-QGZVFWFLSA-N 2 2 324.472 3.102 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350762239 546622358 /nfs/dbraw/zinc/62/23/58/546622358.db2.gz HOSGYQJMFQALIP-QGZVFWFLSA-N 2 2 324.472 3.102 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350762239 546622363 /nfs/dbraw/zinc/62/23/63/546622363.db2.gz HOSGYQJMFQALIP-QGZVFWFLSA-N 2 2 324.472 3.102 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357239928 546698694 /nfs/dbraw/zinc/69/86/94/546698694.db2.gz UGRNTFBLUSBXSB-NSHGMRRFSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239928 546698701 /nfs/dbraw/zinc/69/87/01/546698701.db2.gz UGRNTFBLUSBXSB-NSHGMRRFSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832231 546751501 /nfs/dbraw/zinc/75/15/01/546751501.db2.gz ICBKWTWIHRQNFS-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000389832231 546751503 /nfs/dbraw/zinc/75/15/03/546751503.db2.gz ICBKWTWIHRQNFS-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414308692 546784524 /nfs/dbraw/zinc/78/45/24/546784524.db2.gz WNCWMPKWHJPLKX-WQVCFCJDSA-N 2 2 321.371 3.072 20 0 DGADLP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414933365 546790707 /nfs/dbraw/zinc/79/07/07/546790707.db2.gz WUJIZJFJCJFTJY-RDJZCZTQSA-N 3 2 321.896 3.164 20 0 DGADLP CCn1c[nH+]cc1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000417984873 546802085 /nfs/dbraw/zinc/80/20/85/546802085.db2.gz MNGFELMVXGJBLD-UHFFFAOYSA-N 2 2 317.458 3.029 20 0 DGADLP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419684545 546804615 /nfs/dbraw/zinc/80/46/15/546804615.db2.gz MEHBYMGNMDKADV-KDOFPFPSSA-N 2 2 312.461 3.289 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453339034 546859140 /nfs/dbraw/zinc/85/91/40/546859140.db2.gz GEGPPSWXROHHND-CGTJXYLNSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453339034 546859143 /nfs/dbraw/zinc/85/91/43/546859143.db2.gz GEGPPSWXROHHND-CGTJXYLNSA-N 2 2 312.461 3.389 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCC4(CCCC4)O3)cc2)c[nH+]1 ZINC000655862053 547075669 /nfs/dbraw/zinc/07/56/69/547075669.db2.gz WEBVCKWDBDLZRO-GOSISDBHSA-N 2 2 311.429 3.454 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(Br)s2)n1C ZINC000667482407 547196324 /nfs/dbraw/zinc/19/63/24/547196324.db2.gz CGLSUYJCVFQRKF-UHFFFAOYSA-N 2 2 314.252 3.185 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(Br)s2)n1C ZINC000667482407 547196331 /nfs/dbraw/zinc/19/63/31/547196331.db2.gz CGLSUYJCVFQRKF-UHFFFAOYSA-N 2 2 314.252 3.185 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)c(OC)c1 ZINC000667488668 547199917 /nfs/dbraw/zinc/19/99/17/547199917.db2.gz OGBWVXGUTSQYOZ-KRWDZBQOSA-N 2 2 315.417 3.083 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)c(OC)c1 ZINC000667488668 547199920 /nfs/dbraw/zinc/19/99/20/547199920.db2.gz OGBWVXGUTSQYOZ-KRWDZBQOSA-N 2 2 315.417 3.083 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)n1C ZINC000667563091 547227521 /nfs/dbraw/zinc/22/75/21/547227521.db2.gz URPXCQRRIHOLEZ-HNNXBMFYSA-N 2 2 324.472 3.144 20 0 DGADLP c1[nH+]c2n(c1C[NH+]1CCC(OCC3CCCCC3)CC1)CCC2 ZINC000667564278 547227901 /nfs/dbraw/zinc/22/79/01/547227901.db2.gz HQJJOXFWCGLWKL-UHFFFAOYSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000667567006 547228812 /nfs/dbraw/zinc/22/88/12/547228812.db2.gz NLUWXBICIULWFS-HKUYNNGSSA-N 2 2 313.445 3.328 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000667567006 547228815 /nfs/dbraw/zinc/22/88/15/547228815.db2.gz NLUWXBICIULWFS-HKUYNNGSSA-N 2 2 313.445 3.328 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1C ZINC000667572739 547231543 /nfs/dbraw/zinc/23/15/43/547231543.db2.gz GSNQNZPTVHJDIF-UHFFFAOYSA-N 2 2 301.409 3.322 20 0 DGADLP Fc1c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cccc1OC1CC1 ZINC000667587390 547235998 /nfs/dbraw/zinc/23/59/98/547235998.db2.gz QCEXZWWDTPYVSB-HNNXBMFYSA-N 2 2 315.392 3.401 20 0 DGADLP Fc1c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cccc1OC1CC1 ZINC000667587390 547236002 /nfs/dbraw/zinc/23/60/02/547236002.db2.gz QCEXZWWDTPYVSB-HNNXBMFYSA-N 2 2 315.392 3.401 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)CCc2ccc(Br)cc2)n1C ZINC000667590455 547237082 /nfs/dbraw/zinc/23/70/82/547237082.db2.gz WINAIBKTIDPWHP-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)CCc2ccc(Br)cc2)n1C ZINC000667590455 547237087 /nfs/dbraw/zinc/23/70/87/547237087.db2.gz WINAIBKTIDPWHP-UHFFFAOYSA-N 2 2 322.250 3.166 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000667779222 547299501 /nfs/dbraw/zinc/29/95/01/547299501.db2.gz AURZXERCAQEQCE-HOTGVXAUSA-N 2 2 314.477 3.348 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@@H]4C[C@@H]43)[nH+]c2)CC1 ZINC000667906911 547331372 /nfs/dbraw/zinc/33/13/72/547331372.db2.gz BCXHOJWMSBWENM-JLSDUUJJSA-N 2 2 314.477 3.213 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)n1C ZINC000667951616 547344491 /nfs/dbraw/zinc/34/44/91/547344491.db2.gz DHIFPDHISXOYAH-UHFFFAOYSA-N 2 2 317.408 3.049 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c[nH+]c3n1CCC3)[C@H]2C ZINC000667963628 547348884 /nfs/dbraw/zinc/34/88/84/547348884.db2.gz OQMFWEYOHXGJLR-KGLIPLIRSA-N 2 2 311.429 3.346 20 0 DGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c[nH+]c3n1CCC3)[C@H]2C ZINC000667963628 547348888 /nfs/dbraw/zinc/34/88/88/547348888.db2.gz OQMFWEYOHXGJLR-KGLIPLIRSA-N 2 2 311.429 3.346 20 0 DGADLP COc1cccc(CC2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)c1 ZINC000667968216 547349637 /nfs/dbraw/zinc/34/96/37/547349637.db2.gz JODPIZCCSIBILT-UHFFFAOYSA-N 2 2 313.445 3.192 20 0 DGADLP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667969546 547350622 /nfs/dbraw/zinc/35/06/22/547350622.db2.gz MYLOSXOZGDIYJD-RDTXWAMCSA-N 2 2 311.429 3.421 20 0 DGADLP CCCC[N@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCCC[C@H]1OC ZINC000668218086 547419260 /nfs/dbraw/zinc/41/92/60/547419260.db2.gz BCUHJJXNWIQEPS-IAGOWNOFSA-N 2 2 305.466 3.389 20 0 DGADLP CCCC[N@@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCCC[C@H]1OC ZINC000668218086 547419264 /nfs/dbraw/zinc/41/92/64/547419264.db2.gz BCUHJJXNWIQEPS-IAGOWNOFSA-N 2 2 305.466 3.389 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1O ZINC000668459322 547459677 /nfs/dbraw/zinc/45/96/77/547459677.db2.gz RTIOGROSJUJMQW-GDBMZVCRSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1O ZINC000668459322 547459681 /nfs/dbraw/zinc/45/96/81/547459681.db2.gz RTIOGROSJUJMQW-GDBMZVCRSA-N 2 2 320.477 3.184 20 0 DGADLP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)[C@H]21 ZINC000668743115 547527653 /nfs/dbraw/zinc/52/76/53/547527653.db2.gz FKEWBFYATRCRPW-DFQSSKMNSA-N 2 2 323.415 3.117 20 0 DGADLP Cc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Cl ZINC000668785452 547541441 /nfs/dbraw/zinc/54/14/41/547541441.db2.gz QMCUJVQTCQKJKO-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Cl ZINC000668785452 547541444 /nfs/dbraw/zinc/54/14/44/547541444.db2.gz QMCUJVQTCQKJKO-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)n1-c1ccccc1 ZINC000668786726 547542067 /nfs/dbraw/zinc/54/20/67/547542067.db2.gz GSKZYSYQSDINHX-YWZLYKJASA-N 2 2 321.424 3.392 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC34CCOCC4)[nH+]c12 ZINC000669700429 547674486 /nfs/dbraw/zinc/67/44/86/547674486.db2.gz DVRBKYYWINLRJJ-QGZVFWFLSA-N 2 2 313.445 3.124 20 0 DGADLP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000669718011 547677993 /nfs/dbraw/zinc/67/79/93/547677993.db2.gz GGRFUQCZSBPHPO-KRWDZBQOSA-N 2 2 314.473 3.108 20 0 DGADLP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000669718011 547677994 /nfs/dbraw/zinc/67/79/94/547677994.db2.gz GGRFUQCZSBPHPO-KRWDZBQOSA-N 2 2 314.473 3.108 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931604 547709397 /nfs/dbraw/zinc/70/93/97/547709397.db2.gz KEVKPWYMICGQFI-SJORKVTESA-N 2 2 310.869 3.490 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931604 547709399 /nfs/dbraw/zinc/70/93/99/547709399.db2.gz KEVKPWYMICGQFI-SJORKVTESA-N 2 2 310.869 3.490 20 0 DGADLP CCc1nc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc(C)[nH+]1 ZINC000672225334 547865986 /nfs/dbraw/zinc/86/59/86/547865986.db2.gz WMVAWOKCNJETQR-INIZCTEOSA-N 2 2 321.428 3.477 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cnc3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000673701382 547984366 /nfs/dbraw/zinc/98/43/66/547984366.db2.gz DXKCUUQNQXDLFH-QFBILLFUSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cnc3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000673701382 547984370 /nfs/dbraw/zinc/98/43/70/547984370.db2.gz DXKCUUQNQXDLFH-QFBILLFUSA-N 2 2 320.440 3.087 20 0 DGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000673712199 547985439 /nfs/dbraw/zinc/98/54/39/547985439.db2.gz PPWSAVMGLPOGBN-CQSZACIVSA-N 2 2 323.400 3.148 20 0 DGADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000673712199 547985444 /nfs/dbraw/zinc/98/54/44/547985444.db2.gz PPWSAVMGLPOGBN-CQSZACIVSA-N 2 2 323.400 3.148 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccncc1Cl ZINC000673753498 547992427 /nfs/dbraw/zinc/99/24/27/547992427.db2.gz LFNZIDNFYJPUDP-UHFFFAOYSA-N 2 2 300.793 3.183 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](CC(C)C)c2ccccc2)CC1 ZINC000674376526 548072812 /nfs/dbraw/zinc/07/28/12/548072812.db2.gz YQASBZFZAITBPP-IBGZPJMESA-N 2 2 304.478 3.474 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCSCC1 ZINC000674881677 548129633 /nfs/dbraw/zinc/12/96/33/548129633.db2.gz CHCJZHPYKDTAGG-CRAIPNDOSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCSCC1 ZINC000674881677 548129637 /nfs/dbraw/zinc/12/96/37/548129637.db2.gz CHCJZHPYKDTAGG-CRAIPNDOSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739837 548262278 /nfs/dbraw/zinc/26/22/78/548262278.db2.gz XZRAKBZMODZLLI-MRXNPFEDSA-N 2 2 313.445 3.226 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1 ZINC000675743221 548263664 /nfs/dbraw/zinc/26/36/64/548263664.db2.gz KFJYKGIIWOIOTH-UHFFFAOYSA-N 2 2 311.429 3.448 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000675768452 548267145 /nfs/dbraw/zinc/26/71/45/548267145.db2.gz YDDAMTATRGHXLO-ZIAGYGMSSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000675768452 548267149 /nfs/dbraw/zinc/26/71/49/548267149.db2.gz YDDAMTATRGHXLO-ZIAGYGMSSA-N 2 2 323.868 3.049 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1OC(F)F ZINC000675766321 548267327 /nfs/dbraw/zinc/26/73/27/548267327.db2.gz JBFLCGCZBLMDMC-WCQYABFASA-N 2 2 314.376 3.041 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1OC(F)F ZINC000675766321 548267329 /nfs/dbraw/zinc/26/73/29/548267329.db2.gz JBFLCGCZBLMDMC-WCQYABFASA-N 2 2 314.376 3.041 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833795 548280478 /nfs/dbraw/zinc/28/04/78/548280478.db2.gz PBOFAHVREIQBLM-QAPCUYQASA-N 2 2 310.445 3.007 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-n2cccn2)cc1 ZINC000675833795 548280482 /nfs/dbraw/zinc/28/04/82/548280482.db2.gz PBOFAHVREIQBLM-QAPCUYQASA-N 2 2 310.445 3.007 20 0 DGADLP c1ccc2c(c1)SC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882024 548283582 /nfs/dbraw/zinc/28/35/82/548283582.db2.gz POPLZOKPFIXLGF-DOTOQJQBSA-N 2 2 318.486 3.066 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)ccc1F ZINC000675882944 548284660 /nfs/dbraw/zinc/28/46/60/548284660.db2.gz VRPLPUKDAOLZKM-BBRMVZONSA-N 2 2 324.415 3.259 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH]n1 ZINC000675893112 548285903 /nfs/dbraw/zinc/28/59/03/548285903.db2.gz CCAHZMMBLPKXDA-UHFFFAOYSA-N 2 2 318.852 3.126 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000675888897 548286061 /nfs/dbraw/zinc/28/60/61/548286061.db2.gz SNQKVPHHTAUDGI-GPMSIDNRSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000675888897 548286069 /nfs/dbraw/zinc/28/60/69/548286069.db2.gz SNQKVPHHTAUDGI-GPMSIDNRSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000675928274 548293771 /nfs/dbraw/zinc/29/37/71/548293771.db2.gz MYDQSROHNNBFGF-HLIPFELVSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000675928274 548293777 /nfs/dbraw/zinc/29/37/77/548293777.db2.gz MYDQSROHNNBFGF-HLIPFELVSA-N 2 2 324.472 3.080 20 0 DGADLP Fc1ccc(SCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676477524 548366697 /nfs/dbraw/zinc/36/66/97/548366697.db2.gz LBYQUZONHINKFC-HNNXBMFYSA-N 2 2 305.422 3.451 20 0 DGADLP Fc1ccc(SCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676477524 548366699 /nfs/dbraw/zinc/36/66/99/548366699.db2.gz LBYQUZONHINKFC-HNNXBMFYSA-N 2 2 305.422 3.451 20 0 DGADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000676883695 548427074 /nfs/dbraw/zinc/42/70/74/548427074.db2.gz OCGWAQFNDOLHQH-XBFCOCLRSA-N 2 2 317.820 3.207 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748646 548549347 /nfs/dbraw/zinc/54/93/47/548549347.db2.gz BPQGLHSILQVYOR-MJGOQNOKSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748646 548549350 /nfs/dbraw/zinc/54/93/50/548549350.db2.gz BPQGLHSILQVYOR-MJGOQNOKSA-N 2 2 304.478 3.180 20 0 DGADLP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804343 548557972 /nfs/dbraw/zinc/55/79/72/548557972.db2.gz FJTINVAFUQXOMA-JQHSSLGASA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C)[C@@H](O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804343 548557977 /nfs/dbraw/zinc/55/79/77/548557977.db2.gz FJTINVAFUQXOMA-JQHSSLGASA-N 2 2 304.478 3.036 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccn1 ZINC000678029035 548595648 /nfs/dbraw/zinc/59/56/48/548595648.db2.gz DVDOVTCGAHZSKI-MJGOQNOKSA-N 2 2 317.477 3.156 20 0 DGADLP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000678077954 548608476 /nfs/dbraw/zinc/60/84/76/548608476.db2.gz CJXYAYFKIRLMNQ-IEBWSBKVSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000678077954 548608481 /nfs/dbraw/zinc/60/84/81/548608481.db2.gz CJXYAYFKIRLMNQ-IEBWSBKVSA-N 2 2 313.445 3.462 20 0 DGADLP C/C(=C/c1ccccc1)C[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000678248595 548654097 /nfs/dbraw/zinc/65/40/97/548654097.db2.gz DSLGYZRYRLMWSD-SDXDJHTJSA-N 2 2 324.472 3.031 20 0 DGADLP C/C(=C/c1ccccc1)C[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000678248595 548654100 /nfs/dbraw/zinc/65/41/00/548654100.db2.gz DSLGYZRYRLMWSD-SDXDJHTJSA-N 2 2 324.472 3.031 20 0 DGADLP Fc1ccc2cc[nH+]c(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000678311411 548677894 /nfs/dbraw/zinc/67/78/94/548677894.db2.gz YCITZEAGCVWTEB-UHFFFAOYSA-N 2 2 308.360 3.096 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc(O)cc2)CC1 ZINC000678348786 548685312 /nfs/dbraw/zinc/68/53/12/548685312.db2.gz AWLRSZZURGXGJS-UHFFFAOYSA-N 2 2 300.402 3.082 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccc(O)cc2)CC1 ZINC000678348786 548685315 /nfs/dbraw/zinc/68/53/15/548685315.db2.gz AWLRSZZURGXGJS-UHFFFAOYSA-N 2 2 300.402 3.082 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000678497731 548716928 /nfs/dbraw/zinc/71/69/28/548716928.db2.gz JFKTWQOHYWYICN-VHBXLISGSA-N 2 2 316.489 3.180 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000678497731 548716932 /nfs/dbraw/zinc/71/69/32/548716932.db2.gz JFKTWQOHYWYICN-VHBXLISGSA-N 2 2 316.489 3.180 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678768690 548759312 /nfs/dbraw/zinc/75/93/12/548759312.db2.gz QFUCDYLUIOZKCJ-KVSKMBFKSA-N 2 2 302.462 3.010 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678768690 548759316 /nfs/dbraw/zinc/75/93/16/548759316.db2.gz QFUCDYLUIOZKCJ-KVSKMBFKSA-N 2 2 302.462 3.010 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CC(C)(C)c3ccccc3)CC2)c1 ZINC000678816379 548769641 /nfs/dbraw/zinc/76/96/41/548769641.db2.gz PVDDXTQAIVTHIH-UHFFFAOYSA-N 2 2 309.457 3.490 20 0 DGADLP COc1ccc2c(c1)CCC[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000678823029 548771511 /nfs/dbraw/zinc/77/15/11/548771511.db2.gz KZAXJSNCYVEIFG-UHFFFAOYSA-N 2 2 307.397 3.291 20 0 DGADLP COc1ccc2c(c1)CCC[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000678823029 548771515 /nfs/dbraw/zinc/77/15/15/548771515.db2.gz KZAXJSNCYVEIFG-UHFFFAOYSA-N 2 2 307.397 3.291 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000678936567 548796869 /nfs/dbraw/zinc/79/68/69/548796869.db2.gz FGOFJDPXZBHEOX-GXTWGEPZSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000678936567 548796874 /nfs/dbraw/zinc/79/68/74/548796874.db2.gz FGOFJDPXZBHEOX-GXTWGEPZSA-N 2 2 323.278 3.472 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991871 548807954 /nfs/dbraw/zinc/80/79/54/548807954.db2.gz DGPMXEFEBLEQNL-KBPBESRZSA-N 2 2 307.507 3.327 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991871 548807956 /nfs/dbraw/zinc/80/79/56/548807956.db2.gz DGPMXEFEBLEQNL-KBPBESRZSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991871 548807960 /nfs/dbraw/zinc/80/79/60/548807960.db2.gz DGPMXEFEBLEQNL-KBPBESRZSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)C[C@@H]1C ZINC000678991871 548807966 /nfs/dbraw/zinc/80/79/66/548807966.db2.gz DGPMXEFEBLEQNL-KBPBESRZSA-N 2 2 307.507 3.327 20 0 DGADLP c1[nH]c(C2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)c[nH+]1 ZINC000678991085 548808105 /nfs/dbraw/zinc/80/81/05/548808105.db2.gz SAQOPPMNBIHKBS-UHFFFAOYSA-N 2 2 302.447 3.125 20 0 DGADLP c1[nH]cc(C2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)[nH+]1 ZINC000678991085 548808110 /nfs/dbraw/zinc/80/81/10/548808110.db2.gz SAQOPPMNBIHKBS-UHFFFAOYSA-N 2 2 302.447 3.125 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011107 548812677 /nfs/dbraw/zinc/81/26/77/548812677.db2.gz BRGZKEXVUCXSFR-KSSFIOAISA-N 2 2 302.462 3.436 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000679011107 548812680 /nfs/dbraw/zinc/81/26/80/548812680.db2.gz BRGZKEXVUCXSFR-KSSFIOAISA-N 2 2 302.462 3.436 20 0 DGADLP CC(C)C[C@@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042643 548821297 /nfs/dbraw/zinc/82/12/97/548821297.db2.gz CBGKEEWWMLXIEO-IEBWSBKVSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)C[C@@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042643 548821299 /nfs/dbraw/zinc/82/12/99/548821299.db2.gz CBGKEEWWMLXIEO-IEBWSBKVSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)C[C@@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042644 548821747 /nfs/dbraw/zinc/82/17/47/548821747.db2.gz CBGKEEWWMLXIEO-MJGOQNOKSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)C[C@@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042644 548821750 /nfs/dbraw/zinc/82/17/50/548821750.db2.gz CBGKEEWWMLXIEO-MJGOQNOKSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)c1c[nH]nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000679330791 548880082 /nfs/dbraw/zinc/88/00/82/548880082.db2.gz ROAGGALBUSEAEJ-RDTXWAMCSA-N 2 2 312.461 3.206 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)c1c[nH]nc1C)[N@H+]1CCc2ccccc2C1 ZINC000679330791 548880085 /nfs/dbraw/zinc/88/00/85/548880085.db2.gz ROAGGALBUSEAEJ-RDTXWAMCSA-N 2 2 312.461 3.206 20 0 DGADLP c1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)noc1-c1ccccc1 ZINC000679440344 548897523 /nfs/dbraw/zinc/89/75/23/548897523.db2.gz MEAZCQCZNLIRCQ-UHFFFAOYSA-N 2 2 320.396 3.059 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000679576253 548920426 /nfs/dbraw/zinc/92/04/26/548920426.db2.gz VIXYKHDGMGBHLJ-LLVKDONJSA-N 2 2 300.315 3.181 20 0 DGADLP C[N@@H+]1CC[C@H](C[NH2+]C2CSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679625473 548925379 /nfs/dbraw/zinc/92/53/79/548925379.db2.gz AUBRGOXXODXDCU-ABAIWWIYSA-N 2 2 314.857 3.177 20 0 DGADLP C[N@H+]1CC[C@H](C[NH2+]C2CSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679625473 548925384 /nfs/dbraw/zinc/92/53/84/548925384.db2.gz AUBRGOXXODXDCU-ABAIWWIYSA-N 2 2 314.857 3.177 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000680141859 549003662 /nfs/dbraw/zinc/00/36/62/549003662.db2.gz IOOKQNOTCDHPNS-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000680141859 549003664 /nfs/dbraw/zinc/00/36/64/549003664.db2.gz IOOKQNOTCDHPNS-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP FC(F)O[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680335726 549031916 /nfs/dbraw/zinc/03/19/16/549031916.db2.gz ZLKCZSRVOPQKPH-LBPRGKRZSA-N 2 2 313.373 3.137 20 0 DGADLP FC(F)O[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680335726 549031917 /nfs/dbraw/zinc/03/19/17/549031917.db2.gz ZLKCZSRVOPQKPH-LBPRGKRZSA-N 2 2 313.373 3.137 20 0 DGADLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccn(C)n1 ZINC000680464552 549054537 /nfs/dbraw/zinc/05/45/37/549054537.db2.gz DARDBTPEAVKKMM-SJLPKXTDSA-N 2 2 323.444 3.178 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134229 549294600 /nfs/dbraw/zinc/29/46/00/549294600.db2.gz WYPUFRCBNUKZLK-FXAWDEMLSA-N 2 2 311.473 3.126 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc2ccccc21 ZINC000682134229 549294606 /nfs/dbraw/zinc/29/46/06/549294606.db2.gz WYPUFRCBNUKZLK-FXAWDEMLSA-N 2 2 311.473 3.126 20 0 DGADLP Cn1ncc(Cl)c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682150561 549296102 /nfs/dbraw/zinc/29/61/02/549296102.db2.gz IBUKHXGFCKQEIP-UHFFFAOYSA-N 2 2 324.900 3.162 20 0 DGADLP COC1CC[NH+](CC[NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000682162425 549299416 /nfs/dbraw/zinc/29/94/16/549299416.db2.gz QGNVQVYZYCDDSC-AWEZNQCLSA-N 2 2 310.869 3.144 20 0 DGADLP CC(C)N(C)c1ccc(CNc2cnn(-c3cc[nH+]cc3)c2)c[nH+]1 ZINC000682941067 549399124 /nfs/dbraw/zinc/39/91/24/549399124.db2.gz WHYFDGKTNLQKLB-UHFFFAOYSA-N 2 2 322.416 3.119 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000683006681 549413202 /nfs/dbraw/zinc/41/32/02/549413202.db2.gz RWEQUBCCGQMPPY-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000683006681 549413205 /nfs/dbraw/zinc/41/32/05/549413205.db2.gz RWEQUBCCGQMPPY-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)s2)c1 ZINC000683829599 549542896 /nfs/dbraw/zinc/54/28/96/549542896.db2.gz GKQLALBJMSOIHR-ZDUSSCGKSA-N 2 2 314.414 3.437 20 0 DGADLP c1coc(-c2ncc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)s2)c1 ZINC000683829599 549542899 /nfs/dbraw/zinc/54/28/99/549542899.db2.gz GKQLALBJMSOIHR-ZDUSSCGKSA-N 2 2 314.414 3.437 20 0 DGADLP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684026365 549569165 /nfs/dbraw/zinc/56/91/65/549569165.db2.gz ZSSPUARMIWKMCA-QGZVFWFLSA-N 2 2 305.381 3.283 20 0 DGADLP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684026365 549569169 /nfs/dbraw/zinc/56/91/69/549569169.db2.gz ZSSPUARMIWKMCA-QGZVFWFLSA-N 2 2 305.381 3.283 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000684110785 549581170 /nfs/dbraw/zinc/58/11/70/549581170.db2.gz AYVVOUVNPKIXQQ-QAPCUYQASA-N 2 2 302.462 3.263 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000684110785 549581175 /nfs/dbraw/zinc/58/11/75/549581175.db2.gz AYVVOUVNPKIXQQ-QAPCUYQASA-N 2 2 302.462 3.263 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)CC(=O)N(C)C2CCCCC2)c[nH+]1 ZINC000684356100 549616831 /nfs/dbraw/zinc/61/68/31/549616831.db2.gz IWXCFVMJHKKIAW-UHFFFAOYSA-N 2 2 317.477 3.046 20 0 DGADLP Cc1ccc(CCC[N@H+](C)CC(=O)N(C)C2CCCCC2)c[nH+]1 ZINC000684356100 549616834 /nfs/dbraw/zinc/61/68/34/549616834.db2.gz IWXCFVMJHKKIAW-UHFFFAOYSA-N 2 2 317.477 3.046 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000684369325 549620897 /nfs/dbraw/zinc/62/08/97/549620897.db2.gz UCFRJAQMKNZRSD-OAGGEKHMSA-N 2 2 308.491 3.432 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000684382460 549624258 /nfs/dbraw/zinc/62/42/58/549624258.db2.gz PSNREFMQVGJXBI-KURKYZTESA-N 2 2 313.445 3.251 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000684387223 549625775 /nfs/dbraw/zinc/62/57/75/549625775.db2.gz CQCJLYRQWWJELB-AYOQOUSVSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1cnn(-c2cc[nH+]cc2NCCCc2ccc(C)[nH+]c2)c1 ZINC000684388847 549626090 /nfs/dbraw/zinc/62/60/90/549626090.db2.gz CEVCJAFRASVTED-UHFFFAOYSA-N 2 2 307.401 3.324 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000684396611 549629194 /nfs/dbraw/zinc/62/91/94/549629194.db2.gz MSBSQEFVVWCCRF-AQNXPRMDSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000684396611 549629198 /nfs/dbraw/zinc/62/91/98/549629198.db2.gz MSBSQEFVVWCCRF-AQNXPRMDSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000684560921 549660191 /nfs/dbraw/zinc/66/01/91/549660191.db2.gz ULARILRLLZJTFL-RBUKOAKNSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000684560921 549660195 /nfs/dbraw/zinc/66/01/95/549660195.db2.gz ULARILRLLZJTFL-RBUKOAKNSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000684611243 549668464 /nfs/dbraw/zinc/66/84/64/549668464.db2.gz CZPDMGWSJMFRDU-JSGCOSHPSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000684611243 549668468 /nfs/dbraw/zinc/66/84/68/549668468.db2.gz CZPDMGWSJMFRDU-JSGCOSHPSA-N 2 2 300.368 3.320 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H](c3cncc(F)c3)C3CC3)[nH+]c12 ZINC000684957405 549725866 /nfs/dbraw/zinc/72/58/66/549725866.db2.gz JSLLJYVATTUCMJ-SFHVURJKSA-N 2 2 324.403 3.460 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)C[N@H+](Cc2ccccc2)C1 ZINC000685443852 549761750 /nfs/dbraw/zinc/76/17/50/549761750.db2.gz DSXLJXWWWXJLPL-LFGUQSLTSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)C[N@@H+](Cc2ccccc2)C1 ZINC000685443852 549761753 /nfs/dbraw/zinc/76/17/53/549761753.db2.gz DSXLJXWWWXJLPL-LFGUQSLTSA-N 2 2 316.489 3.159 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000685582723 549778049 /nfs/dbraw/zinc/77/80/49/549778049.db2.gz GTJXNYVOUKOSMQ-UXHICEINSA-N 2 2 309.457 3.288 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000685582723 549778051 /nfs/dbraw/zinc/77/80/51/549778051.db2.gz GTJXNYVOUKOSMQ-UXHICEINSA-N 2 2 309.457 3.288 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H](CO)C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000685665903 549787250 /nfs/dbraw/zinc/78/72/50/549787250.db2.gz NBCHEDCWSZSDHX-RBUKOAKNSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H](CO)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000685665903 549787252 /nfs/dbraw/zinc/78/72/52/549787252.db2.gz NBCHEDCWSZSDHX-RBUKOAKNSA-N 2 2 316.489 3.180 20 0 DGADLP Cc1cc2[nH+]cn(CN3CC[C@H]([NH+]4CCCCC4)C3)c2cc1C ZINC000730807153 574536609 /nfs/dbraw/zinc/53/66/09/574536609.db2.gz NZSSDXXPQKWHSD-KRWDZBQOSA-N 2 2 312.461 3.171 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743266143 575040908 /nfs/dbraw/zinc/04/09/08/575040908.db2.gz IHIADESCYOVWBW-HXUWFJFHSA-N 2 2 323.440 3.285 20 0 DGADLP O=C(CCCC[NH+]1CCCC1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000729320887 575234009 /nfs/dbraw/zinc/23/40/09/575234009.db2.gz MEQKQWXKPVPATI-UHFFFAOYSA-N 2 2 312.417 3.077 20 0 DGADLP Fc1cccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000750042098 575699984 /nfs/dbraw/zinc/69/99/84/575699984.db2.gz HMEOSVIQUOYVHG-QGZVFWFLSA-N 2 2 322.387 3.396 20 0 DGADLP Cc1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c(C)o1 ZINC000752079332 575821385 /nfs/dbraw/zinc/82/13/85/575821385.db2.gz HETQSSZQOXUDIW-UHFFFAOYSA-N 2 2 320.477 3.269 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)c[nH+]1 ZINC000727467625 576126598 /nfs/dbraw/zinc/12/65/98/576126598.db2.gz JHVIJDUOCWKDJK-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP c1[nH+]cn2ccc(-c3noc([C@H]4CC[N@H+]4C4CCCC4)n3)cc12 ZINC000924048028 617734039 /nfs/dbraw/zinc/73/40/39/617734039.db2.gz KXDJIVMHWCYBHI-OAHLLOKOSA-N 2 2 309.373 3.074 20 0 DGADLP c1[nH+]cn2ccc(-c3noc([C@H]4CC[N@@H+]4C4CCCC4)n3)cc12 ZINC000924048028 617734042 /nfs/dbraw/zinc/73/40/42/617734042.db2.gz KXDJIVMHWCYBHI-OAHLLOKOSA-N 2 2 309.373 3.074 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106501 617964001 /nfs/dbraw/zinc/96/40/01/617964001.db2.gz WNDZBKYUADEYIN-WBVHZDCISA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106501 617964004 /nfs/dbraw/zinc/96/40/04/617964004.db2.gz WNDZBKYUADEYIN-WBVHZDCISA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106501 617964006 /nfs/dbraw/zinc/96/40/06/617964006.db2.gz WNDZBKYUADEYIN-WBVHZDCISA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2c(n1)CCCC2 ZINC000892106501 617964007 /nfs/dbraw/zinc/96/40/07/617964007.db2.gz WNDZBKYUADEYIN-WBVHZDCISA-N 2 2 301.478 3.183 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133207 617971366 /nfs/dbraw/zinc/97/13/66/617971366.db2.gz LAGRGZAOOCNGAO-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133207 617971368 /nfs/dbraw/zinc/97/13/68/617971368.db2.gz LAGRGZAOOCNGAO-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133207 617971372 /nfs/dbraw/zinc/97/13/72/617971372.db2.gz LAGRGZAOOCNGAO-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000892133207 617971375 /nfs/dbraw/zinc/97/13/75/617971375.db2.gz LAGRGZAOOCNGAO-INIZCTEOSA-N 2 2 318.509 3.241 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892237467 617992523 /nfs/dbraw/zinc/99/25/23/617992523.db2.gz ZOAOPTYZAQYGAS-MLGOLLRUSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892237467 617992527 /nfs/dbraw/zinc/99/25/27/617992527.db2.gz ZOAOPTYZAQYGAS-MLGOLLRUSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000892237467 617992529 /nfs/dbraw/zinc/99/25/29/617992529.db2.gz ZOAOPTYZAQYGAS-MLGOLLRUSA-N 2 2 322.884 3.074 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000892237467 617992532 /nfs/dbraw/zinc/99/25/32/617992532.db2.gz ZOAOPTYZAQYGAS-MLGOLLRUSA-N 2 2 322.884 3.074 20 0 DGADLP C[C@@H]1CN(c2ccc([NH2+]CC3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000892352209 618039943 /nfs/dbraw/zinc/03/99/43/618039943.db2.gz GMSZGEVPSQEMKL-HZPDHXFCSA-N 2 2 317.477 3.054 20 0 DGADLP Cc1nnc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000892466643 618072848 /nfs/dbraw/zinc/07/28/48/618072848.db2.gz GARIZHUQXRFFSY-UHFFFAOYSA-N 2 2 316.474 3.122 20 0 DGADLP C[C@@H]1CC2(CC([NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)C2)CO1 ZINC000924531479 618073701 /nfs/dbraw/zinc/07/37/01/618073701.db2.gz HBVYSFAVZIPANP-IHJVYAAUSA-N 2 2 314.473 3.371 20 0 DGADLP CCc1onc(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000892527241 618100089 /nfs/dbraw/zinc/10/00/89/618100089.db2.gz NOWRIIWGPDCZLN-UHFFFAOYSA-N 2 2 310.401 3.080 20 0 DGADLP C([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926745736 618104631 /nfs/dbraw/zinc/10/46/31/618104631.db2.gz PFAOWYUZTPNVRS-UHOSZYNNSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926745736 618104634 /nfs/dbraw/zinc/10/46/34/618104634.db2.gz PFAOWYUZTPNVRS-UHOSZYNNSA-N 2 2 306.494 3.188 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)c(F)c1 ZINC000892647991 618125862 /nfs/dbraw/zinc/12/58/62/618125862.db2.gz AKLYWOHAJBAPHX-MRXNPFEDSA-N 2 2 307.388 3.408 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)nc1 ZINC000892775657 618307358 /nfs/dbraw/zinc/30/73/58/618307358.db2.gz YJWLSBYDZNTMPI-UHFFFAOYSA-N 2 2 317.477 3.225 20 0 DGADLP c1cn(C2CC2)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000894472639 618341887 /nfs/dbraw/zinc/34/18/87/618341887.db2.gz VJJBIKNZLYAGSS-UHFFFAOYSA-N 2 2 313.449 3.107 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2onc(C)c2c1 ZINC000894776691 618453819 /nfs/dbraw/zinc/45/38/19/618453819.db2.gz JSNFBCPFMNDUGK-UHFFFAOYSA-N 2 2 304.438 3.085 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2onc(C)c2c1 ZINC000894776691 618453824 /nfs/dbraw/zinc/45/38/24/618453824.db2.gz JSNFBCPFMNDUGK-UHFFFAOYSA-N 2 2 304.438 3.085 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925553565 618490314 /nfs/dbraw/zinc/49/03/14/618490314.db2.gz QUDQSWTUNUWGLL-PKOBYXMFSA-N 3 2 303.494 3.177 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(O)c(F)c2)c2cccc[nH+]2)CC1 ZINC000895132402 618546793 /nfs/dbraw/zinc/54/67/93/618546793.db2.gz SPUGDZSPVZESOJ-SHTZXODSSA-N 2 2 315.392 3.203 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000895135950 618548806 /nfs/dbraw/zinc/54/88/06/618548806.db2.gz CSISCUZLIWVZMY-UHFFFAOYSA-N 2 2 323.428 3.315 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000895135950 618548810 /nfs/dbraw/zinc/54/88/10/618548810.db2.gz CSISCUZLIWVZMY-UHFFFAOYSA-N 2 2 323.428 3.315 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000895192608 618571505 /nfs/dbraw/zinc/57/15/05/618571505.db2.gz JALMHIYMPMTSBN-UHFFFAOYSA-N 2 2 301.887 3.397 20 0 DGADLP Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000895245690 618582061 /nfs/dbraw/zinc/58/20/61/618582061.db2.gz SOXRMVXETPFYEN-OAHLLOKOSA-N 2 2 323.444 3.163 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291879 618588765 /nfs/dbraw/zinc/58/87/65/618588765.db2.gz ISKOAPHTGDUUEA-MJGOQNOKSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000895291879 618588767 /nfs/dbraw/zinc/58/87/67/618588767.db2.gz ISKOAPHTGDUUEA-MJGOQNOKSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccccc1OCc1cccnc1)[NH+](C)C ZINC000895299306 618589886 /nfs/dbraw/zinc/58/98/86/618589886.db2.gz IXKWZBZQULUPJV-MRXNPFEDSA-N 2 2 313.445 3.090 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049632 618699476 /nfs/dbraw/zinc/69/94/76/618699476.db2.gz IFVLPXLGNPCNDI-DZGCQCFKSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049632 618699479 /nfs/dbraw/zinc/69/94/79/618699479.db2.gz IFVLPXLGNPCNDI-DZGCQCFKSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049632 618699482 /nfs/dbraw/zinc/69/94/82/618699482.db2.gz IFVLPXLGNPCNDI-DZGCQCFKSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2F)[C@@H](C)C1 ZINC000894049632 618699485 /nfs/dbraw/zinc/69/94/85/618699485.db2.gz IFVLPXLGNPCNDI-DZGCQCFKSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049634 618699710 /nfs/dbraw/zinc/69/97/10/618699710.db2.gz IFVLPXLGNPCNDI-UKRRQHHQSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049634 618699712 /nfs/dbraw/zinc/69/97/12/618699712.db2.gz IFVLPXLGNPCNDI-UKRRQHHQSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049634 618699713 /nfs/dbraw/zinc/69/97/13/618699713.db2.gz IFVLPXLGNPCNDI-UKRRQHHQSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049634 618699714 /nfs/dbraw/zinc/69/97/14/618699714.db2.gz IFVLPXLGNPCNDI-UKRRQHHQSA-N 2 2 324.440 3.005 20 0 DGADLP C[C@H]1CC2(CC([NH2+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)CO1 ZINC000924890379 618723879 /nfs/dbraw/zinc/72/38/79/618723879.db2.gz SERSSVAJEVMPPK-NRUSHDPLSA-N 2 2 317.477 3.043 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc[nH]2)C1 ZINC000894184623 618725452 /nfs/dbraw/zinc/72/54/52/618725452.db2.gz AJLXBTGXXJLROH-HZPDHXFCSA-N 2 2 312.461 3.177 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924903667 618734141 /nfs/dbraw/zinc/73/41/41/618734141.db2.gz KIAJPNWUWJRFIS-HXUWFJFHSA-N 2 2 323.484 3.309 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1)C1CC1 ZINC000924903667 618734143 /nfs/dbraw/zinc/73/41/43/618734143.db2.gz KIAJPNWUWJRFIS-HXUWFJFHSA-N 2 2 323.484 3.309 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000924966253 618752491 /nfs/dbraw/zinc/75/24/91/618752491.db2.gz QQSIABBVVIBTBO-NUEKZKHPSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000924966253 618752494 /nfs/dbraw/zinc/75/24/94/618752494.db2.gz QQSIABBVVIBTBO-NUEKZKHPSA-N 2 2 314.429 3.255 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000895508062 618792144 /nfs/dbraw/zinc/79/21/44/618792144.db2.gz DHWGHWOINZYYQM-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccnn1C1CCC1 ZINC000895508062 618792147 /nfs/dbraw/zinc/79/21/47/618792147.db2.gz DHWGHWOINZYYQM-YJBOKZPZSA-N 2 2 304.482 3.160 20 0 DGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)c1OC ZINC000895672396 618816206 /nfs/dbraw/zinc/81/62/06/618816206.db2.gz XUJFZRFMCXOWGX-UHFFFAOYSA-N 2 2 318.461 3.072 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000895694608 618817942 /nfs/dbraw/zinc/81/79/42/618817942.db2.gz WNDLTDJNQBDWTQ-WBVHZDCISA-N 2 2 314.429 3.146 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000895694608 618817945 /nfs/dbraw/zinc/81/79/45/618817945.db2.gz WNDLTDJNQBDWTQ-WBVHZDCISA-N 2 2 314.429 3.146 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000895827904 618834573 /nfs/dbraw/zinc/83/45/73/618834573.db2.gz ONVHWSUQDKPXQW-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000895828003 618834602 /nfs/dbraw/zinc/83/46/02/618834602.db2.gz RFPBVPIQVFCJQO-UHFFFAOYSA-N 2 2 317.477 3.157 20 0 DGADLP c1cc(-c2ccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)o2)n[nH]1 ZINC000896195501 618884064 /nfs/dbraw/zinc/88/40/64/618884064.db2.gz MANMGWDTKPKSAA-UHFFFAOYSA-N 2 2 323.400 3.141 20 0 DGADLP COC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000896195800 618884188 /nfs/dbraw/zinc/88/41/88/618884188.db2.gz SEFBEWJAWBFFMT-UHFFFAOYSA-N 2 2 303.450 3.307 20 0 DGADLP CCn1c[nH+]c2c1CCN(c1cc[nH+]c3ccc(OC)cc31)C2 ZINC000896651486 618941019 /nfs/dbraw/zinc/94/10/19/618941019.db2.gz UANRZTJZNPVXSP-UHFFFAOYSA-N 2 2 308.385 3.023 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896719334 618948146 /nfs/dbraw/zinc/94/81/46/618948146.db2.gz CUUOJHOVHFUDSW-DNVCBOLYSA-N 2 2 313.445 3.001 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cn(C)cn1 ZINC000925138913 618990692 /nfs/dbraw/zinc/99/06/92/618990692.db2.gz YQYPCSBAECOVHI-VBQJREDUSA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cn(C)cn1 ZINC000925138913 618990693 /nfs/dbraw/zinc/99/06/93/618990693.db2.gz YQYPCSBAECOVHI-VBQJREDUSA-N 2 2 318.490 3.215 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCCNc2cccc[nH+]2)nc1 ZINC000925232263 619088206 /nfs/dbraw/zinc/08/82/06/619088206.db2.gz MAWOKEIOJOFGQQ-WMZOPIPTSA-N 2 2 310.445 3.280 20 0 DGADLP FC1(F)CC[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000898017487 619206019 /nfs/dbraw/zinc/20/60/19/619206019.db2.gz NYUPFABAWBLAPY-AWEZNQCLSA-N 2 2 309.404 3.466 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCC=CCCC2)CC1 ZINC000898031288 619207401 /nfs/dbraw/zinc/20/74/01/619207401.db2.gz BAPGVEUAXZTLNQ-KRWDZBQOSA-N 2 2 322.493 3.130 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034675 619208326 /nfs/dbraw/zinc/20/83/26/619208326.db2.gz VECRVFHYLCHEQH-XOBRGWDASA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034675 619208327 /nfs/dbraw/zinc/20/83/27/619208327.db2.gz VECRVFHYLCHEQH-XOBRGWDASA-N 2 2 304.415 3.031 20 0 DGADLP COC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCCCC1 ZINC000898262102 619230098 /nfs/dbraw/zinc/23/00/98/619230098.db2.gz YANOMALVBXAPKV-UHFFFAOYSA-N 2 2 317.477 3.379 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[NH+](C)C ZINC000926963491 619253384 /nfs/dbraw/zinc/25/33/84/619253384.db2.gz UNXLCRJRSZJHPU-RBUKOAKNSA-N 2 2 319.493 3.259 20 0 DGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000926965389 619254097 /nfs/dbraw/zinc/25/40/97/619254097.db2.gz QMOOMNCKGYXQKK-IUODEOHRSA-N 2 2 318.383 3.323 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924682896 619257039 /nfs/dbraw/zinc/25/70/39/619257039.db2.gz YMTAVBRSGKQDKS-RBUKOAKNSA-N 3 2 307.526 3.105 20 0 DGADLP CC1CC[NH+](CCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000924682896 619257042 /nfs/dbraw/zinc/25/70/42/619257042.db2.gz YMTAVBRSGKQDKS-RBUKOAKNSA-N 3 2 307.526 3.105 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000924727717 619268175 /nfs/dbraw/zinc/26/81/75/619268175.db2.gz CIKNVYQKBJDGIE-CZUORRHYSA-N 2 2 302.422 3.052 20 0 DGADLP CNc1ccc(C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000902087728 619588079 /nfs/dbraw/zinc/58/80/79/619588079.db2.gz XCLBSANGZVTRLV-QGZVFWFLSA-N 2 2 300.450 3.438 20 0 DGADLP [NH3+]CCCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000902318911 619614894 /nfs/dbraw/zinc/61/48/94/619614894.db2.gz IZXCRACMXGAUEB-QGZVFWFLSA-N 3 2 322.403 3.011 20 0 DGADLP CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1[NH3+])CCC2 ZINC000902439972 619636758 /nfs/dbraw/zinc/63/67/58/619636758.db2.gz VYYFDAIWDWGVNO-YSVLISHTSA-N 2 2 313.470 3.297 20 0 DGADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000902414707 619637511 /nfs/dbraw/zinc/63/75/11/619637511.db2.gz ZPOXKLJIZXDOIV-MRXNPFEDSA-N 2 2 318.367 3.458 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473100 619637881 /nfs/dbraw/zinc/63/78/81/619637881.db2.gz QTQIRUNVGIEETO-KJWYOANISA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H](C)c1nc2ccccc2s1 ZINC000902470987 619642319 /nfs/dbraw/zinc/64/23/19/619642319.db2.gz IJCANDOGRKUPEC-XOBFJNJYSA-N 2 2 301.459 3.271 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902469564 619642362 /nfs/dbraw/zinc/64/23/62/619642362.db2.gz XNMAEJBOHHDBEA-QFWNWRTJSA-N 2 2 321.262 3.480 20 0 DGADLP Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902740544 619665629 /nfs/dbraw/zinc/66/56/29/619665629.db2.gz WRVFTAAYHAJOJW-CQSZACIVSA-N 2 2 309.417 3.187 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000902748542 619669909 /nfs/dbraw/zinc/66/99/09/619669909.db2.gz NMGRLHYJMKGSJJ-BMGDILEWSA-N 2 2 316.445 3.059 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000902748542 619669910 /nfs/dbraw/zinc/66/99/10/619669910.db2.gz NMGRLHYJMKGSJJ-BMGDILEWSA-N 2 2 316.445 3.059 20 0 DGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)c[nH+]1 ZINC000902758803 619671537 /nfs/dbraw/zinc/67/15/37/619671537.db2.gz INJCRVOXSNCJBY-ROUUACIJSA-N 2 2 305.466 3.238 20 0 DGADLP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902831554 619681860 /nfs/dbraw/zinc/68/18/60/619681860.db2.gz BAFAFUKXUONEFF-LPHOPBHVSA-N 2 2 321.424 3.299 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902840101 619683049 /nfs/dbraw/zinc/68/30/49/619683049.db2.gz YECLYWPMFIAKRE-CJNGLKHVSA-N 2 2 319.499 3.372 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cn1 ZINC000903010939 619704523 /nfs/dbraw/zinc/70/45/23/619704523.db2.gz UABFOMOBNCJZRE-NDNKKMJESA-N 2 2 313.367 3.376 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cn1 ZINC000903010939 619704524 /nfs/dbraw/zinc/70/45/24/619704524.db2.gz UABFOMOBNCJZRE-NDNKKMJESA-N 2 2 313.367 3.376 20 0 DGADLP COc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000903057500 619707309 /nfs/dbraw/zinc/70/73/09/619707309.db2.gz CPXPBKNHGFATSZ-CQSZACIVSA-N 2 2 308.853 3.410 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048268 619710735 /nfs/dbraw/zinc/71/07/35/619710735.db2.gz LJDOTGBGSFIIAL-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000903128231 619722914 /nfs/dbraw/zinc/72/29/14/619722914.db2.gz UKBWOZIAFINVCC-CEXWTWQISA-N 2 2 313.445 3.398 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000903128233 619722944 /nfs/dbraw/zinc/72/29/44/619722944.db2.gz UKBWOZIAFINVCC-GUDVDZBRSA-N 2 2 313.445 3.398 20 0 DGADLP c1cc2c(c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)n1)CCCC2 ZINC000903185849 619729960 /nfs/dbraw/zinc/72/99/60/619729960.db2.gz YXOVOJLOFUZNJR-UHFFFAOYSA-N 2 2 313.489 3.457 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000903177520 619730690 /nfs/dbraw/zinc/73/06/90/619730690.db2.gz ONTCKQDCCMDMIH-GDBMZVCRSA-N 2 2 305.809 3.183 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(CC2CCC2)c1 ZINC000903197011 619734374 /nfs/dbraw/zinc/73/43/74/619734374.db2.gz UTLXACRIVYFJQD-KFKAGJAMSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(CC2CCC2)c1 ZINC000903197011 619734378 /nfs/dbraw/zinc/73/43/78/619734378.db2.gz UTLXACRIVYFJQD-KFKAGJAMSA-N 2 2 316.493 3.351 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccnc1 ZINC000903377933 619768423 /nfs/dbraw/zinc/76/84/23/619768423.db2.gz ODXYHFRMNVTEQR-QZTJIDSGSA-N 2 2 317.477 3.156 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382177 619769043 /nfs/dbraw/zinc/76/90/43/619769043.db2.gz DGDPHSNRIHWXPS-BEFAXECRSA-N 2 2 315.436 3.434 20 0 DGADLP C[C@H](Cc1ccsc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385177 619769477 /nfs/dbraw/zinc/76/94/77/619769477.db2.gz VTUJYAUFICIFPV-RHSMWYFYSA-N 2 2 303.475 3.357 20 0 DGADLP Cc1cccc(C[N@H+](Cc2ccccn2)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903443888 619777673 /nfs/dbraw/zinc/77/76/73/619777673.db2.gz LWSNQHCRMGKTCJ-MJGOQNOKSA-N 2 2 309.457 3.248 20 0 DGADLP Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903443888 619777675 /nfs/dbraw/zinc/77/76/75/619777675.db2.gz LWSNQHCRMGKTCJ-MJGOQNOKSA-N 2 2 309.457 3.248 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000903813443 619818122 /nfs/dbraw/zinc/81/81/22/619818122.db2.gz GJGOUENLLGWJFO-LJQANCHMSA-N 3 2 324.472 3.356 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000903813443 619818123 /nfs/dbraw/zinc/81/81/23/619818123.db2.gz GJGOUENLLGWJFO-LJQANCHMSA-N 3 2 324.472 3.356 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000903846023 619823170 /nfs/dbraw/zinc/82/31/70/619823170.db2.gz MAFLHWDXTMQUMA-JKOKRWQUSA-N 2 2 305.472 3.183 20 0 DGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000903846023 619823172 /nfs/dbraw/zinc/82/31/72/619823172.db2.gz MAFLHWDXTMQUMA-JKOKRWQUSA-N 2 2 305.472 3.183 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903909559 619833164 /nfs/dbraw/zinc/83/31/64/619833164.db2.gz FOGPEPFJJIQPKR-LBPRGKRZSA-N 2 2 321.209 3.172 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903909559 619833165 /nfs/dbraw/zinc/83/31/65/619833165.db2.gz FOGPEPFJJIQPKR-LBPRGKRZSA-N 2 2 321.209 3.172 20 0 DGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000903931592 619836613 /nfs/dbraw/zinc/83/66/13/619836613.db2.gz FTMSSOVZRFGZNF-MRXNPFEDSA-N 2 2 308.416 3.240 20 0 DGADLP [NH3+][C@@H](C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1)CC(F)F ZINC000903932174 619836639 /nfs/dbraw/zinc/83/66/39/619836639.db2.gz NPAHBAAWJKQCCL-LLVKDONJSA-N 2 2 308.294 3.267 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000903945751 619843175 /nfs/dbraw/zinc/84/31/75/619843175.db2.gz YCDQQMINBXZTMP-UWVGGRQHSA-N 2 2 319.396 3.081 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000903945751 619843178 /nfs/dbraw/zinc/84/31/78/619843178.db2.gz YCDQQMINBXZTMP-UWVGGRQHSA-N 2 2 319.396 3.081 20 0 DGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)s1 ZINC000903972762 619847703 /nfs/dbraw/zinc/84/77/03/619847703.db2.gz LATLQMXFAODZQF-CQSZACIVSA-N 2 2 322.518 3.294 20 0 DGADLP Cc1cc(CNC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)cc(C)[nH+]1 ZINC000904595935 619934885 /nfs/dbraw/zinc/93/48/85/619934885.db2.gz MRISAPUVDGAAOZ-UHFFFAOYSA-N 2 2 312.417 3.214 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000906502171 620103196 /nfs/dbraw/zinc/10/31/96/620103196.db2.gz HHPTVPSEEFAZKU-LLVKDONJSA-N 2 2 312.339 3.325 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000906502171 620103197 /nfs/dbraw/zinc/10/31/97/620103197.db2.gz HHPTVPSEEFAZKU-LLVKDONJSA-N 2 2 312.339 3.325 20 0 DGADLP COC(=O)c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(F)c1 ZINC000921492918 620858745 /nfs/dbraw/zinc/85/87/45/620858745.db2.gz CTYLTGYOZGASQK-UHFFFAOYSA-N 2 2 322.424 3.011 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1ccnn1C1CCC1)Cc1ccccc1 ZINC000921509823 620877914 /nfs/dbraw/zinc/87/79/14/620877914.db2.gz SYTGQDSALXGSRK-UHFFFAOYSA-N 2 2 312.461 3.220 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1ccnn1C1CCC1)Cc1ccccc1 ZINC000921509823 620877916 /nfs/dbraw/zinc/87/79/16/620877916.db2.gz SYTGQDSALXGSRK-UHFFFAOYSA-N 2 2 312.461 3.220 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@@H+]1C ZINC000921781226 620948721 /nfs/dbraw/zinc/94/87/21/620948721.db2.gz YZTSJWYYZQOPED-NVXWUHKLSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccn3)c2)CC[N@H+]1C ZINC000921781226 620948723 /nfs/dbraw/zinc/94/87/23/620948723.db2.gz YZTSJWYYZQOPED-NVXWUHKLSA-N 2 2 311.429 3.446 20 0 DGADLP CSCc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000921793573 620950828 /nfs/dbraw/zinc/95/08/28/620950828.db2.gz CFLUFBKUOIZKNT-MRXNPFEDSA-N 2 2 301.459 3.413 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778007 621020636 /nfs/dbraw/zinc/02/06/36/621020636.db2.gz GGPAPQXLDSBWOY-VIFPVBQESA-N 2 2 318.730 3.301 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745827 621093083 /nfs/dbraw/zinc/09/30/83/621093083.db2.gz QASSYCXAILLGRN-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCOCC2)C1 ZINC000922745827 621093087 /nfs/dbraw/zinc/09/30/87/621093087.db2.gz QASSYCXAILLGRN-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(SC(F)F)cc1)C[NH+](C)C ZINC000922757728 621095585 /nfs/dbraw/zinc/09/55/85/621095585.db2.gz LEQGUHVDYCCXRH-CYBMUJFWSA-N 2 2 318.433 3.058 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)c2)c[nH+]1 ZINC000922894742 621122148 /nfs/dbraw/zinc/12/21/48/621122148.db2.gz AFHGIQWCHHNNDL-PBHICJAKSA-N 2 2 317.458 3.229 20 0 DGADLP CCc1onc(C)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922982941 621141924 /nfs/dbraw/zinc/14/19/24/621141924.db2.gz HIXAUTXKNKRCNV-UHFFFAOYSA-N 2 2 305.466 3.432 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)o2)c1 ZINC000923518635 621191217 /nfs/dbraw/zinc/19/12/17/621191217.db2.gz YCGMRDDOJFYLDH-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)o2)c1 ZINC000923518635 621191222 /nfs/dbraw/zinc/19/12/22/621191222.db2.gz YCGMRDDOJFYLDH-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899370 621300919 /nfs/dbraw/zinc/30/09/19/621300919.db2.gz UXPROCQGLVNGAL-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)n1 ZINC000838899370 621300921 /nfs/dbraw/zinc/30/09/21/621300921.db2.gz UXPROCQGLVNGAL-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899370 621300924 /nfs/dbraw/zinc/30/09/24/621300924.db2.gz UXPROCQGLVNGAL-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)n1 ZINC000838899370 621300927 /nfs/dbraw/zinc/30/09/27/621300927.db2.gz UXPROCQGLVNGAL-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1c(Cl)cnn1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000753796004 621465800 /nfs/dbraw/zinc/46/58/00/621465800.db2.gz VQRWRSQXVAZTRA-UHFFFAOYSA-N 2 2 324.900 3.390 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC000755786757 621593765 /nfs/dbraw/zinc/59/37/65/621593765.db2.gz BNOSDCKXOGNXFA-GFCCVEGCSA-N 2 2 314.414 3.144 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000755786757 621593766 /nfs/dbraw/zinc/59/37/66/621593766.db2.gz BNOSDCKXOGNXFA-GFCCVEGCSA-N 2 2 314.414 3.144 20 0 DGADLP CC[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000806141063 621612284 /nfs/dbraw/zinc/61/22/84/621612284.db2.gz FNWZFHSSVNIOSJ-HNAYVOBHSA-N 2 2 301.478 3.500 20 0 DGADLP COc1cc(C[N@H+](C)C[C@H](C)[NH3+])c(-c2ccccc2)cc1OC ZINC000863651051 621693800 /nfs/dbraw/zinc/69/38/00/621693800.db2.gz ACXOOOJGJNGEIU-AWEZNQCLSA-N 2 2 314.429 3.150 20 0 DGADLP COc1cc(C[N@@H+](C)C[C@H](C)[NH3+])c(-c2ccccc2)cc1OC ZINC000863651051 621693802 /nfs/dbraw/zinc/69/38/02/621693802.db2.gz ACXOOOJGJNGEIU-AWEZNQCLSA-N 2 2 314.429 3.150 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000865425670 621917563 /nfs/dbraw/zinc/91/75/63/621917563.db2.gz PQKQPROOYOFOJE-KRWDZBQOSA-N 2 2 314.433 3.046 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnn1CC1CCC1 ZINC000865425868 621917966 /nfs/dbraw/zinc/91/79/66/621917966.db2.gz UFIFHNZAZBLMQA-QGZVFWFLSA-N 2 2 315.465 3.084 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(OC(F)F)cc1F)Cn1cc[nH+]c1 ZINC000865433811 621919933 /nfs/dbraw/zinc/91/99/33/621919933.db2.gz KFYROECQLXBDQM-LLVKDONJSA-N 2 2 313.323 3.050 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C(C)(C)C ZINC000865532717 621944653 /nfs/dbraw/zinc/94/46/53/621944653.db2.gz MDJPFKCYFYJNQG-OAHLLOKOSA-N 2 2 313.445 3.294 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865532345 621944660 /nfs/dbraw/zinc/94/46/60/621944660.db2.gz ZDEBTSRVCIWORK-UHFFFAOYSA-N 2 2 304.482 3.352 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000865652092 621971792 /nfs/dbraw/zinc/97/17/92/621971792.db2.gz OPTNWBPVUISKDS-LBPRGKRZSA-N 2 2 310.429 3.136 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC34CCOCC4)c2)c[nH+]1 ZINC000865777152 621993063 /nfs/dbraw/zinc/99/30/63/621993063.db2.gz CFDUOADCHGXKPE-AWEZNQCLSA-N 2 2 317.458 3.230 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000866225107 622069828 /nfs/dbraw/zinc/06/98/28/622069828.db2.gz OIHYGWOXTIVSRP-KRWDZBQOSA-N 2 2 320.440 3.437 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866238489 622073329 /nfs/dbraw/zinc/07/33/29/622073329.db2.gz PCAKBYGOJYPVFD-DOTOQJQBSA-N 2 2 300.450 3.304 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000764948213 622235147 /nfs/dbraw/zinc/23/51/47/622235147.db2.gz GXUIVVSMBJSDML-IAGOWNOFSA-N 2 2 304.478 3.480 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000764948213 622235149 /nfs/dbraw/zinc/23/51/49/622235149.db2.gz GXUIVVSMBJSDML-IAGOWNOFSA-N 2 2 304.478 3.480 20 0 DGADLP C[C@@H](COc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000765435010 622264819 /nfs/dbraw/zinc/26/48/19/622264819.db2.gz ACWHGOUMGNPVGW-INIZCTEOSA-N 2 2 311.429 3.108 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]n1 ZINC000766001513 622299478 /nfs/dbraw/zinc/29/94/78/622299478.db2.gz IPFORRYPEOFHFQ-QAPCUYQASA-N 2 2 312.461 3.115 20 0 DGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]n1 ZINC000766001513 622299480 /nfs/dbraw/zinc/29/94/80/622299480.db2.gz IPFORRYPEOFHFQ-QAPCUYQASA-N 2 2 312.461 3.115 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000766223474 622313344 /nfs/dbraw/zinc/31/33/44/622313344.db2.gz OCWLHPOAUWITSE-CYGHRXIMSA-N 2 2 319.518 3.166 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000766223474 622313346 /nfs/dbraw/zinc/31/33/46/622313346.db2.gz OCWLHPOAUWITSE-CYGHRXIMSA-N 2 2 319.518 3.166 20 0 DGADLP CS[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766605174 622341887 /nfs/dbraw/zinc/34/18/87/622341887.db2.gz RRUHXADPNJBXME-ZWKOTPCHSA-N 2 2 319.518 3.205 20 0 DGADLP CCc1cnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000769524498 622538016 /nfs/dbraw/zinc/53/80/16/622538016.db2.gz NOMIUHVLJARISX-UHFFFAOYSA-N 2 2 303.475 3.399 20 0 DGADLP CCc1cnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000769524498 622538017 /nfs/dbraw/zinc/53/80/17/622538017.db2.gz NOMIUHVLJARISX-UHFFFAOYSA-N 2 2 303.475 3.399 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1F ZINC000769541092 622538945 /nfs/dbraw/zinc/53/89/45/622538945.db2.gz BVVDUPGWTCOSLG-LSDHHAIUSA-N 2 2 308.441 3.087 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]CC[N@H+]2CCC[C@H]2C)cc1F ZINC000769541092 622538948 /nfs/dbraw/zinc/53/89/48/622538948.db2.gz BVVDUPGWTCOSLG-LSDHHAIUSA-N 2 2 308.441 3.087 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cn2cc(Cl)cn2)CC1)CC1CC1 ZINC000770683962 622660903 /nfs/dbraw/zinc/66/09/03/622660903.db2.gz HYRFEOTWBYOOTB-UHFFFAOYSA-N 2 2 324.900 3.328 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cn2cc(Cl)cn2)CC1)CC1CC1 ZINC000770683962 622660905 /nfs/dbraw/zinc/66/09/05/622660905.db2.gz HYRFEOTWBYOOTB-UHFFFAOYSA-N 2 2 324.900 3.328 20 0 DGADLP c1ccc(NC2CC([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000872133589 622826335 /nfs/dbraw/zinc/82/63/35/622826335.db2.gz RQJSTQPHFIQMIQ-UHFFFAOYSA-N 2 2 322.456 3.283 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000872145750 622833334 /nfs/dbraw/zinc/83/33/34/622833334.db2.gz XDACVCVEDOPMPO-LJQANCHMSA-N 2 2 319.493 3.386 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000872145750 622833335 /nfs/dbraw/zinc/83/33/35/622833335.db2.gz XDACVCVEDOPMPO-LJQANCHMSA-N 2 2 319.493 3.386 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2c1 ZINC000872149200 622833808 /nfs/dbraw/zinc/83/38/08/622833808.db2.gz MQEVXPOJIRZWLX-CABCVRRESA-N 2 2 323.362 3.112 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2c1 ZINC000872149200 622833815 /nfs/dbraw/zinc/83/38/15/622833815.db2.gz MQEVXPOJIRZWLX-CABCVRRESA-N 2 2 323.362 3.112 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089466 622981938 /nfs/dbraw/zinc/98/19/38/622981938.db2.gz QYTBUWJNXHZXMD-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000773089466 622981945 /nfs/dbraw/zinc/98/19/45/622981945.db2.gz QYTBUWJNXHZXMD-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774942237 623210272 /nfs/dbraw/zinc/21/02/72/623210272.db2.gz OJXUWUKHTZCOGH-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(Br)c1 ZINC000774942237 623210275 /nfs/dbraw/zinc/21/02/75/623210275.db2.gz OJXUWUKHTZCOGH-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]([NH3+])CCC(C)C)c2)[nH+]c1C ZINC000876736765 623692400 /nfs/dbraw/zinc/69/24/00/623692400.db2.gz MTMGVBDYNJJASG-INIZCTEOSA-N 2 2 314.433 3.396 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000779391986 623765564 /nfs/dbraw/zinc/76/55/64/623765564.db2.gz LYWUYUBVGGMVKY-KGLIPLIRSA-N 2 2 309.454 3.008 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877052574 623776914 /nfs/dbraw/zinc/77/69/14/623776914.db2.gz TZHUYDWAOJPAOD-MJGOQNOKSA-N 2 2 310.445 3.176 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877052574 623776915 /nfs/dbraw/zinc/77/69/15/623776915.db2.gz TZHUYDWAOJPAOD-MJGOQNOKSA-N 2 2 310.445 3.176 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000877067234 623782261 /nfs/dbraw/zinc/78/22/61/623782261.db2.gz ZTUMSGHINPOLIN-UONOGXRCSA-N 2 2 324.255 3.487 20 0 DGADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000877142479 623805201 /nfs/dbraw/zinc/80/52/01/623805201.db2.gz QHBLGZWRHXKNPY-UHFFFAOYSA-N 2 2 319.449 3.219 20 0 DGADLP Clc1ccc2sc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2n1 ZINC000877429527 623878408 /nfs/dbraw/zinc/87/84/08/623878408.db2.gz JIAAETVUNVIIJY-SNVBAGLBSA-N 2 2 318.833 3.251 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530978 623928277 /nfs/dbraw/zinc/92/82/77/623928277.db2.gz HETGYNYEBFREMX-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530978 623928279 /nfs/dbraw/zinc/92/82/79/623928279.db2.gz HETGYNYEBFREMX-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530978 623928284 /nfs/dbraw/zinc/92/82/84/623928284.db2.gz HETGYNYEBFREMX-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530978 623928291 /nfs/dbraw/zinc/92/82/91/623928291.db2.gz HETGYNYEBFREMX-SJLPKXTDSA-N 2 2 313.420 3.290 20 0 DGADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000780718560 623972387 /nfs/dbraw/zinc/97/23/87/623972387.db2.gz ZMNKKEWJCAFFMC-CQSZACIVSA-N 2 2 321.428 3.384 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741343 624014204 /nfs/dbraw/zinc/01/42/04/624014204.db2.gz APNQTVSARLIKLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741343 624014207 /nfs/dbraw/zinc/01/42/07/624014207.db2.gz APNQTVSARLIKLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741343 624014212 /nfs/dbraw/zinc/01/42/12/624014212.db2.gz APNQTVSARLIKLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741343 624014215 /nfs/dbraw/zinc/01/42/15/624014215.db2.gz APNQTVSARLIKLF-WMLDXEAASA-N 2 2 315.848 3.414 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741437 624014278 /nfs/dbraw/zinc/01/42/78/624014278.db2.gz VVHGHZCCTLTEMA-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741437 624014279 /nfs/dbraw/zinc/01/42/79/624014279.db2.gz VVHGHZCCTLTEMA-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741437 624014281 /nfs/dbraw/zinc/01/42/81/624014281.db2.gz VVHGHZCCTLTEMA-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@@H]21 ZINC000877741437 624014283 /nfs/dbraw/zinc/01/42/83/624014283.db2.gz VVHGHZCCTLTEMA-CVEARBPZSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743543 624017380 /nfs/dbraw/zinc/01/73/80/624017380.db2.gz LAIXQOPUGHOKNL-DOTOQJQBSA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743543 624017383 /nfs/dbraw/zinc/01/73/83/624017383.db2.gz LAIXQOPUGHOKNL-DOTOQJQBSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743543 624017387 /nfs/dbraw/zinc/01/73/87/624017387.db2.gz LAIXQOPUGHOKNL-DOTOQJQBSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743543 624017391 /nfs/dbraw/zinc/01/73/91/624017391.db2.gz LAIXQOPUGHOKNL-DOTOQJQBSA-N 2 2 313.470 3.336 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccnn1C ZINC000877761316 624025609 /nfs/dbraw/zinc/02/56/09/624025609.db2.gz FGMPQYYCZTVZSW-RIFZZMRRSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccnn1C ZINC000877761316 624025614 /nfs/dbraw/zinc/02/56/14/624025614.db2.gz FGMPQYYCZTVZSW-RIFZZMRRSA-N 2 2 324.472 3.439 20 0 DGADLP CCn1nc(C)c(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1C ZINC000877795646 624037353 /nfs/dbraw/zinc/03/73/53/624037353.db2.gz REJCOVIEVXVKSP-UHFFFAOYSA-N 2 2 318.509 3.360 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417054 624067736 /nfs/dbraw/zinc/06/77/36/624067736.db2.gz RNPVREOOSQULRF-DZGCQCFKSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417054 624067740 /nfs/dbraw/zinc/06/77/40/624067740.db2.gz RNPVREOOSQULRF-DZGCQCFKSA-N 2 2 307.869 3.478 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878176180 624203535 /nfs/dbraw/zinc/20/35/35/624203535.db2.gz JHYAUWMIKIDPOU-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878176180 624203536 /nfs/dbraw/zinc/20/35/36/624203536.db2.gz JHYAUWMIKIDPOU-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878176180 624203541 /nfs/dbraw/zinc/20/35/41/624203541.db2.gz JHYAUWMIKIDPOU-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878176180 624203545 /nfs/dbraw/zinc/20/35/45/624203545.db2.gz JHYAUWMIKIDPOU-IYWMVGAKSA-N 2 2 314.473 3.465 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000879569016 624594372 /nfs/dbraw/zinc/59/43/72/624594372.db2.gz HNBNBHIXICPGLH-IEBWSBKVSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000879569016 624594383 /nfs/dbraw/zinc/59/43/83/624594383.db2.gz HNBNBHIXICPGLH-IEBWSBKVSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1C ZINC000879569016 624594386 /nfs/dbraw/zinc/59/43/86/624594386.db2.gz HNBNBHIXICPGLH-IEBWSBKVSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1C ZINC000879569016 624594390 /nfs/dbraw/zinc/59/43/90/624594390.db2.gz HNBNBHIXICPGLH-IEBWSBKVSA-N 2 2 314.473 3.340 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580334 624598226 /nfs/dbraw/zinc/59/82/26/624598226.db2.gz SOMFVJDJBJBUPS-WBVHZDCISA-N 2 2 317.864 3.321 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580334 624598228 /nfs/dbraw/zinc/59/82/28/624598228.db2.gz SOMFVJDJBJBUPS-WBVHZDCISA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580334 624598231 /nfs/dbraw/zinc/59/82/31/624598231.db2.gz SOMFVJDJBJBUPS-WBVHZDCISA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)CC[C@@H]21 ZINC000879580334 624598232 /nfs/dbraw/zinc/59/82/32/624598232.db2.gz SOMFVJDJBJBUPS-WBVHZDCISA-N 2 2 317.864 3.321 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1scnc1C1CC1 ZINC000785432456 624666402 /nfs/dbraw/zinc/66/64/02/624666402.db2.gz SWFDCNIWUMXNJO-CQSZACIVSA-N 2 2 304.463 3.422 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920392 624722447 /nfs/dbraw/zinc/72/24/47/624722447.db2.gz ZEXANMGGBWDBCN-MRXNPFEDSA-N 2 2 315.465 3.308 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920392 624722452 /nfs/dbraw/zinc/72/24/52/624722452.db2.gz ZEXANMGGBWDBCN-MRXNPFEDSA-N 2 2 315.465 3.308 20 0 DGADLP CC(C)(C)OC(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948940 624729350 /nfs/dbraw/zinc/72/93/50/624729350.db2.gz PDGPQKATZOANLD-UHFFFAOYSA-N 2 2 310.482 3.059 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963703 624738862 /nfs/dbraw/zinc/73/88/62/624738862.db2.gz NFCQBTUCYKSKPH-KRWDZBQOSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963703 624738864 /nfs/dbraw/zinc/73/88/64/624738864.db2.gz NFCQBTUCYKSKPH-KRWDZBQOSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880133408 624801806 /nfs/dbraw/zinc/80/18/06/624801806.db2.gz TXSDSLLHMHKFCX-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880133408 624801811 /nfs/dbraw/zinc/80/18/11/624801811.db2.gz TXSDSLLHMHKFCX-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133408 624801815 /nfs/dbraw/zinc/80/18/15/624801815.db2.gz TXSDSLLHMHKFCX-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133408 624801821 /nfs/dbraw/zinc/80/18/21/624801821.db2.gz TXSDSLLHMHKFCX-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208456 624842427 /nfs/dbraw/zinc/84/24/27/624842427.db2.gz SDMZVCLHTKIHSM-OALUTQOASA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208456 624842432 /nfs/dbraw/zinc/84/24/32/624842432.db2.gz SDMZVCLHTKIHSM-OALUTQOASA-N 2 2 302.462 3.371 20 0 DGADLP CCc1ccc(CC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207957 624842591 /nfs/dbraw/zinc/84/25/91/624842591.db2.gz DCVGOQYVKTVWJB-HXUWFJFHSA-N 2 2 316.489 3.025 20 0 DGADLP CCc1ccc(CC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207957 624842595 /nfs/dbraw/zinc/84/25/95/624842595.db2.gz DCVGOQYVKTVWJB-HXUWFJFHSA-N 2 2 316.489 3.025 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387036 624947938 /nfs/dbraw/zinc/94/79/38/624947938.db2.gz FRDOTLSVNMRQKF-KRWDZBQOSA-N 2 2 301.459 3.372 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387036 624947942 /nfs/dbraw/zinc/94/79/42/624947942.db2.gz FRDOTLSVNMRQKF-KRWDZBQOSA-N 2 2 301.459 3.372 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012290 625896793 /nfs/dbraw/zinc/89/67/93/625896793.db2.gz AVDVHRRVAYUJAZ-KBPBESRZSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012290 625896794 /nfs/dbraw/zinc/89/67/94/625896794.db2.gz AVDVHRRVAYUJAZ-KBPBESRZSA-N 2 2 300.450 3.097 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000883122141 625933664 /nfs/dbraw/zinc/93/36/64/625933664.db2.gz CGZXQOCSTPMNGO-OAHLLOKOSA-N 2 2 313.445 3.128 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCOCC2)cc1 ZINC000883165126 625948561 /nfs/dbraw/zinc/94/85/61/625948561.db2.gz WMZMNPVCNPQEND-SFHVURJKSA-N 2 2 317.408 3.170 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166277 625950009 /nfs/dbraw/zinc/95/00/09/625950009.db2.gz WOIBSOYLANDFPB-MOPGFXCFSA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166277 625950015 /nfs/dbraw/zinc/95/00/15/625950015.db2.gz WOIBSOYLANDFPB-MOPGFXCFSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)[N@H+](C)C1CC1 ZINC000883186359 625960222 /nfs/dbraw/zinc/96/02/22/625960222.db2.gz QLRVWQTWTXHMEP-AUUYWEPGSA-N 2 2 320.452 3.366 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000883186359 625960224 /nfs/dbraw/zinc/96/02/24/625960224.db2.gz QLRVWQTWTXHMEP-AUUYWEPGSA-N 2 2 320.452 3.366 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3ccc(F)cc32)s1 ZINC000796286533 626035316 /nfs/dbraw/zinc/03/53/16/626035316.db2.gz FJYWEEUBUJIBBB-OAHLLOKOSA-N 2 2 305.422 3.121 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000799718496 626324056 /nfs/dbraw/zinc/32/40/56/626324056.db2.gz CXEMTICRAOQNEI-CRAIPNDOSA-N 2 2 308.441 3.367 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000799718496 626324059 /nfs/dbraw/zinc/32/40/59/626324059.db2.gz CXEMTICRAOQNEI-CRAIPNDOSA-N 2 2 308.441 3.367 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000799725859 626325105 /nfs/dbraw/zinc/32/51/05/626325105.db2.gz KEGFSLROVVEOQZ-ZWKOTPCHSA-N 2 2 308.510 3.437 20 0 DGADLP CC(C)(C)C(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405145 626356829 /nfs/dbraw/zinc/35/68/29/626356829.db2.gz BTRBPJKHAVZVPC-HNNXBMFYSA-N 2 2 317.477 3.404 20 0 DGADLP CC(C)(C)C(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405145 626356832 /nfs/dbraw/zinc/35/68/32/626356832.db2.gz BTRBPJKHAVZVPC-HNNXBMFYSA-N 2 2 317.477 3.404 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800487533 626363863 /nfs/dbraw/zinc/36/38/63/626363863.db2.gz GZMZBZPNLQDDOG-APWZRJJASA-N 2 2 317.477 3.056 20 0 DGADLP COc1ccc(C2CC2)cc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000883257645 626625940 /nfs/dbraw/zinc/62/59/40/626625940.db2.gz HJPUFKRFJFNVAS-UHFFFAOYSA-N 2 2 311.429 3.323 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387007 626668745 /nfs/dbraw/zinc/66/87/45/626668745.db2.gz QEHBSEMEKIYPMN-QYZOEREBSA-N 2 2 313.445 3.418 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388045 626669365 /nfs/dbraw/zinc/66/93/65/626669365.db2.gz LCIQBGKZXGLBFJ-IEBWSBKVSA-N 2 2 321.428 3.025 20 0 DGADLP Cc1[nH]c(C2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)[nH+]c1C ZINC000884708381 626932559 /nfs/dbraw/zinc/93/25/59/626932559.db2.gz XEONREDSUCGPJL-UHFFFAOYSA-N 2 2 311.433 3.386 20 0 DGADLP Cc1nc(F)ccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000809749724 626946621 /nfs/dbraw/zinc/94/66/21/626946621.db2.gz QTGXWVDIFZIVDK-UHFFFAOYSA-N 2 2 316.424 3.418 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976089 626964668 /nfs/dbraw/zinc/96/46/68/626964668.db2.gz GGJGRYKWEJDKDD-JSGCOSHPSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976089 626964671 /nfs/dbraw/zinc/96/46/71/626964671.db2.gz GGJGRYKWEJDKDD-JSGCOSHPSA-N 2 2 304.459 3.007 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000885919036 627060121 /nfs/dbraw/zinc/06/01/21/627060121.db2.gz HZXBBNPPZSVSLR-RBUKOAKNSA-N 2 2 313.445 3.369 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2F)CC1 ZINC000885951719 627067893 /nfs/dbraw/zinc/06/78/93/627067893.db2.gz OUKLHZXDRCQKII-UHFFFAOYSA-N 2 2 324.440 3.197 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000885999878 627080037 /nfs/dbraw/zinc/08/00/37/627080037.db2.gz OZNBNIBGZPTVGC-MOPGFXCFSA-N 2 2 316.489 3.023 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000886035544 627090088 /nfs/dbraw/zinc/09/00/88/627090088.db2.gz OEXOWDYYPLTDRM-INIZCTEOSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000886070324 627098438 /nfs/dbraw/zinc/09/84/38/627098438.db2.gz QLBPSJQNVWUPOQ-SJLPKXTDSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000886070324 627098439 /nfs/dbraw/zinc/09/84/39/627098439.db2.gz QLBPSJQNVWUPOQ-SJLPKXTDSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000886280564 627130499 /nfs/dbraw/zinc/13/04/99/627130499.db2.gz GYKNPZVZGZEFSG-UXOAXIEHSA-N 2 2 304.400 3.285 20 0 DGADLP CC1(C)CO[C@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000886305960 627134379 /nfs/dbraw/zinc/13/43/79/627134379.db2.gz VHTXPJPDSHDCPL-CQSZACIVSA-N 2 2 322.415 3.198 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c2ccccc2)c[nH+]1 ZINC000886319663 627136743 /nfs/dbraw/zinc/13/67/43/627136743.db2.gz LFRYOUVGSFAUOB-GBESFXJTSA-N 2 2 311.429 3.172 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000886514180 627155617 /nfs/dbraw/zinc/15/56/17/627155617.db2.gz JCYQPNXZXYOYOB-SFHVURJKSA-N 2 2 309.417 3.093 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nc(C(C)(C)C)no3)CC2)[nH+]c1C ZINC000886672771 627185956 /nfs/dbraw/zinc/18/59/56/627185956.db2.gz VBNXYBGAZVJLOX-UHFFFAOYSA-N 2 2 317.437 3.087 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476590 627278970 /nfs/dbraw/zinc/27/89/70/627278970.db2.gz NMLKXWQZCUUTSC-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476590 627278971 /nfs/dbraw/zinc/27/89/71/627278971.db2.gz NMLKXWQZCUUTSC-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP Cn1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1Cl ZINC000815136311 627634966 /nfs/dbraw/zinc/63/49/66/627634966.db2.gz WAAUXKMLUXYAFK-UHFFFAOYSA-N 2 2 312.889 3.208 20 0 DGADLP CCc1nocc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000815139202 627636069 /nfs/dbraw/zinc/63/60/69/627636069.db2.gz BDQYAKUVXGMFBB-IBGZPJMESA-N 2 2 313.445 3.239 20 0 DGADLP CCc1nocc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000815139202 627636071 /nfs/dbraw/zinc/63/60/71/627636071.db2.gz BDQYAKUVXGMFBB-IBGZPJMESA-N 2 2 313.445 3.239 20 0 DGADLP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924533760 627645822 /nfs/dbraw/zinc/64/58/22/627645822.db2.gz LSFKEUHSNYFMDB-LJQANCHMSA-N 2 2 306.413 3.356 20 0 DGADLP c1cn(CCC[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)c[nH+]1 ZINC000924533061 627645947 /nfs/dbraw/zinc/64/59/47/627645947.db2.gz IPVYFJHBAJMPSQ-FQEVSTJZSA-N 2 2 320.440 3.112 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924543473 627647341 /nfs/dbraw/zinc/64/73/41/627647341.db2.gz QURQGRUZGLRAJG-HXUWFJFHSA-N 2 2 311.473 3.167 20 0 DGADLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000924594249 627653848 /nfs/dbraw/zinc/65/38/48/627653848.db2.gz BEUXXDJRCVPRLF-UHFFFAOYSA-N 2 2 320.477 3.304 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924625035 627659360 /nfs/dbraw/zinc/65/93/60/627659360.db2.gz DVFXXTGWPFXHNB-WOJBJXKFSA-N 2 2 324.472 3.021 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924625035 627659363 /nfs/dbraw/zinc/65/93/63/627659363.db2.gz DVFXXTGWPFXHNB-WOJBJXKFSA-N 2 2 324.472 3.021 20 0 DGADLP CCOCc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924639918 627661403 /nfs/dbraw/zinc/66/14/03/627661403.db2.gz UBSGMQSZZZJWQC-RTBURBONSA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924639918 627661412 /nfs/dbraw/zinc/66/14/12/627661412.db2.gz UBSGMQSZZZJWQC-RTBURBONSA-N 2 2 302.462 3.330 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)[nH+]c2n1CCCC2 ZINC000924646386 627662120 /nfs/dbraw/zinc/66/21/20/627662120.db2.gz TVQTTXBKYYQXJY-QFBILLFUSA-N 2 2 324.472 3.158 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn2c(n1)CCCC2 ZINC000924684607 627667206 /nfs/dbraw/zinc/66/72/06/627667206.db2.gz LLJCKJCKYPAVJH-BRWVUGGUSA-N 2 2 318.509 3.238 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2coc3ccccc23)CC1 ZINC000924788842 627679845 /nfs/dbraw/zinc/67/98/45/627679845.db2.gz PMUYUKSVXXJQSV-CQSZACIVSA-N 2 2 302.418 3.194 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3cccc(C)c32)CC1 ZINC000925000891 627700474 /nfs/dbraw/zinc/70/04/74/627700474.db2.gz LZRSBHXISFPHBX-GOSISDBHSA-N 2 2 316.489 3.461 20 0 DGADLP CCON1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000925060250 627704907 /nfs/dbraw/zinc/70/49/07/627704907.db2.gz NXUOZVCQCMHQQQ-INIZCTEOSA-N 2 2 319.493 3.121 20 0 DGADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(C(C)(C)O)cc1 ZINC000925211132 627719306 /nfs/dbraw/zinc/71/93/06/627719306.db2.gz BPGFLWWCZXHQPG-KSSFIOAISA-N 2 2 322.518 3.002 20 0 DGADLP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCCNc2cccc[nH+]2)nc1 ZINC000925232260 627721903 /nfs/dbraw/zinc/72/19/03/627721903.db2.gz MAWOKEIOJOFGQQ-AEFFLSMTSA-N 2 2 310.445 3.280 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccccc1 ZINC000925511450 627744906 /nfs/dbraw/zinc/74/49/06/627744906.db2.gz NGADRJMGFLEWSH-HNAYVOBHSA-N 2 2 308.429 3.105 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925524789 627746906 /nfs/dbraw/zinc/74/69/06/627746906.db2.gz ZLNUBEBNNZYNFD-SPYBWZPUSA-N 2 2 314.429 3.141 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925547446 627751877 /nfs/dbraw/zinc/75/18/77/627751877.db2.gz VMMMKZVVBNYANP-IBGZPJMESA-N 3 2 315.505 3.291 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925547446 627751878 /nfs/dbraw/zinc/75/18/78/627751878.db2.gz VMMMKZVVBNYANP-IBGZPJMESA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000925606362 627761214 /nfs/dbraw/zinc/76/12/14/627761214.db2.gz NKKUZSHURRWUMN-KXBFYZLASA-N 2 2 314.429 3.227 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccccc1 ZINC000925637926 627766827 /nfs/dbraw/zinc/76/68/27/627766827.db2.gz VHXKFNNEUXVIJM-APPDUMDISA-N 2 2 308.347 3.325 20 0 DGADLP C[C@@H]([NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nccn1-c1ccccc1 ZINC000925673305 627774864 /nfs/dbraw/zinc/77/48/64/627774864.db2.gz MVSXWXNAOWSCEK-BGTYHANMSA-N 2 2 324.472 3.300 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccccc1 ZINC000925702079 627778746 /nfs/dbraw/zinc/77/87/46/627778746.db2.gz KHQGLUUMKNFQNY-QSFXBCCZSA-N 2 2 309.457 3.482 20 0 DGADLP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1cccc2ccccc21 ZINC000925713361 627780678 /nfs/dbraw/zinc/78/06/78/627780678.db2.gz VFVPPVNHISKQTL-RBUKOAKNSA-N 2 2 310.441 3.138 20 0 DGADLP Cc1ccc2c(c1)[C@H]([N@@H+]1CCc3sc(C[NH3+])nc3C1)[C@H](C)C2 ZINC000925746464 627786064 /nfs/dbraw/zinc/78/60/64/627786064.db2.gz BYYJJECXDRBTKM-KZULUSFZSA-N 2 2 313.470 3.202 20 0 DGADLP Cc1ccc2c(c1)[C@H]([N@H+]1CCc3sc(C[NH3+])nc3C1)[C@H](C)C2 ZINC000925746464 627786066 /nfs/dbraw/zinc/78/60/66/627786066.db2.gz BYYJJECXDRBTKM-KZULUSFZSA-N 2 2 313.470 3.202 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C2CC2)c1 ZINC000925794385 627796210 /nfs/dbraw/zinc/79/62/10/627796210.db2.gz DZZGWOLDVIZXOV-KXBFYZLASA-N 2 2 314.473 3.373 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794517 627796296 /nfs/dbraw/zinc/79/62/96/627796296.db2.gz LSONXVSIRHKURR-JTDSTZFVSA-N 2 2 314.473 3.373 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794995 627796825 /nfs/dbraw/zinc/79/68/25/627796825.db2.gz JDEIBGNSAQHCGQ-JFIYKMOQSA-N 2 2 314.473 3.292 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000925813133 627798967 /nfs/dbraw/zinc/79/89/67/627798967.db2.gz QSDOTZVKWLPADY-NEPJUHHUSA-N 2 2 303.631 3.072 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)c1ccccc1 ZINC000925879593 627811163 /nfs/dbraw/zinc/81/11/63/627811163.db2.gz ACWDBCKCKNFKBE-YSSFQJQWSA-N 2 2 310.441 3.369 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(-c2ccccc2)no1 ZINC000926223822 627865165 /nfs/dbraw/zinc/86/51/65/627865165.db2.gz FMEWMKJUGIFMBW-ZFWWWQNUSA-N 2 2 308.385 3.204 20 0 DGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ncccc1Cl ZINC000926231292 627867147 /nfs/dbraw/zinc/86/71/47/627867147.db2.gz ZFSWPWRAGGZBDM-JSGCOSHPSA-N 2 2 304.825 3.377 20 0 DGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817276702 627876095 /nfs/dbraw/zinc/87/60/95/627876095.db2.gz MVECMWNYLIVXLJ-MNZLEMJZSA-N 2 2 302.462 3.043 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368860 627884892 /nfs/dbraw/zinc/88/48/92/627884892.db2.gz GLAOHDCYKYLQRO-LPHOPBHVSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368860 627884894 /nfs/dbraw/zinc/88/48/94/627884894.db2.gz GLAOHDCYKYLQRO-LPHOPBHVSA-N 2 2 324.472 3.428 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)c1 ZINC000926448580 627897460 /nfs/dbraw/zinc/89/74/60/627897460.db2.gz AAVKEJOILMHRFT-JXFKEZNVSA-N 2 2 318.424 3.350 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(-c2ccccc2)no1 ZINC000926450772 627897836 /nfs/dbraw/zinc/89/78/36/627897836.db2.gz QVOQVIZHISXTIP-GXTWGEPZSA-N 2 2 308.385 3.273 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926451255 627898001 /nfs/dbraw/zinc/89/80/01/627898001.db2.gz YUIMMPCKVBTGCN-XLIONFOSSA-N 2 2 318.424 3.350 20 0 DGADLP CC[C@H]1COC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496738 627904790 /nfs/dbraw/zinc/90/47/90/627904790.db2.gz LHKKKPIAAKZDQR-WFASDCNBSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1csc2ccccc21 ZINC000926503272 627906136 /nfs/dbraw/zinc/90/61/36/627906136.db2.gz KWEBENZKEBZZQU-LSDHHAIUSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1csc2ccccc21 ZINC000926503272 627906137 /nfs/dbraw/zinc/90/61/37/627906137.db2.gz KWEBENZKEBZZQU-LSDHHAIUSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(C[NH+](C)C)c1 ZINC000926595036 627920144 /nfs/dbraw/zinc/92/01/44/627920144.db2.gz BFCZBUZBYGMZAZ-LBPRGKRZSA-N 2 2 316.474 3.328 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2[nH]1 ZINC000926719971 627940034 /nfs/dbraw/zinc/94/00/34/627940034.db2.gz ZYIKQIKWWIGMNE-PBHICJAKSA-N 2 2 313.445 3.072 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000817894904 627954386 /nfs/dbraw/zinc/95/43/86/627954386.db2.gz SIRNPTTWCQUUFK-QGTPRVQTSA-N 2 2 304.478 3.138 20 0 DGADLP COc1ccc([C@H]([NH2+]CC(C)(C)SC)[C@@H]2CCC[NH2+]2)cc1 ZINC000817898034 627955534 /nfs/dbraw/zinc/95/55/34/627955534.db2.gz BQIBSQXPKCURDR-HOTGVXAUSA-N 2 2 308.491 3.220 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1csc2ccccc12 ZINC000817899826 627956369 /nfs/dbraw/zinc/95/63/69/627956369.db2.gz QIWXRSQEVJNSSQ-MCIONIFRSA-N 2 2 304.459 3.319 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817905784 627957888 /nfs/dbraw/zinc/95/78/88/627957888.db2.gz SXLDOHLLLAHFSH-VQISRLSMSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817905775 627958313 /nfs/dbraw/zinc/95/83/13/627958313.db2.gz SXLDOHLLLAHFSH-KMUNFCNLSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000817947731 627970600 /nfs/dbraw/zinc/97/06/00/627970600.db2.gz PMDXTPLZLYVMKA-MRXNPFEDSA-N 3 2 320.440 3.224 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817949685 627972483 /nfs/dbraw/zinc/97/24/83/627972483.db2.gz MIKGDCGRYJJTAT-ONGXEEELSA-N 2 2 302.249 3.368 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000817962559 627976745 /nfs/dbraw/zinc/97/67/45/627976745.db2.gz KHYCHUAJBZLZOC-GDBMZVCRSA-N 2 2 300.450 3.349 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817967017 627977544 /nfs/dbraw/zinc/97/75/44/627977544.db2.gz CIVBWVOAKHDKIU-MWODSPESSA-N 2 2 302.249 3.224 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000926922384 627981959 /nfs/dbraw/zinc/98/19/59/627981959.db2.gz HOOKOKWZRLUUHN-WOJBJXKFSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2ncc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000926922384 627981962 /nfs/dbraw/zinc/98/19/62/627981962.db2.gz HOOKOKWZRLUUHN-WOJBJXKFSA-N 2 2 309.457 3.384 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000927111593 628017716 /nfs/dbraw/zinc/01/77/16/628017716.db2.gz HEOUAQADIKXWDD-SLFFLAALSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000927111593 628017718 /nfs/dbraw/zinc/01/77/18/628017718.db2.gz HEOUAQADIKXWDD-SLFFLAALSA-N 2 2 314.473 3.297 20 0 DGADLP Cc1ccccc1[C@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000818952140 628066009 /nfs/dbraw/zinc/06/60/09/628066009.db2.gz FOOIAGOAZFINDJ-HXUWFJFHSA-N 2 2 321.424 3.063 20 0 DGADLP C[C@H]([NH2+]Cc1ccc2nonc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401637 628364291 /nfs/dbraw/zinc/36/42/91/628364291.db2.gz GEDJNJPKVLUIAW-ZDUSSCGKSA-N 2 2 319.368 3.259 20 0 DGADLP Fc1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccnc1Cl ZINC000823399965 628556964 /nfs/dbraw/zinc/55/69/64/628556964.db2.gz UOXCPZYRFINRFR-UHFFFAOYSA-N 2 2 311.832 3.182 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1C ZINC000824593961 628675150 /nfs/dbraw/zinc/67/51/50/628675150.db2.gz WFRAIVDEGHLNTF-HNNXBMFYSA-N 2 2 319.836 3.425 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1C ZINC000824593961 628675152 /nfs/dbraw/zinc/67/51/52/628675152.db2.gz WFRAIVDEGHLNTF-HNNXBMFYSA-N 2 2 319.836 3.425 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c2)[nH+]c1C ZINC000827600750 628976012 /nfs/dbraw/zinc/97/60/12/628976012.db2.gz QBXSRSVKZHRRAG-MEDUHNTESA-N 2 2 314.433 3.251 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CS1 ZINC000840855231 630367492 /nfs/dbraw/zinc/36/74/92/630367492.db2.gz KIRDLHLLHHZQFS-HOCLYGCPSA-N 2 2 319.518 3.205 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841009332 630395018 /nfs/dbraw/zinc/39/50/18/630395018.db2.gz MPQLYUTVDSFWIK-IRXDYDNUSA-N 2 2 308.441 3.102 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841009332 630395022 /nfs/dbraw/zinc/39/50/22/630395022.db2.gz MPQLYUTVDSFWIK-IRXDYDNUSA-N 2 2 308.441 3.102 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000842478342 630540412 /nfs/dbraw/zinc/54/04/12/630540412.db2.gz QUGHYGXVBLOOND-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000842478342 630540416 /nfs/dbraw/zinc/54/04/16/630540416.db2.gz QUGHYGXVBLOOND-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843058519 630610101 /nfs/dbraw/zinc/61/01/01/630610101.db2.gz VAWIEMBQDRADEQ-TZMCWYRMSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843058519 630610104 /nfs/dbraw/zinc/61/01/04/630610104.db2.gz VAWIEMBQDRADEQ-TZMCWYRMSA-N 2 2 318.852 3.003 20 0 DGADLP CC(C)([NH3+])C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000843063454 630610354 /nfs/dbraw/zinc/61/03/54/630610354.db2.gz BXMNYDVEUGAIHO-HNNXBMFYSA-N 2 2 304.459 3.021 20 0 DGADLP CC(C)([NH3+])C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000843063454 630610357 /nfs/dbraw/zinc/61/03/57/630610357.db2.gz BXMNYDVEUGAIHO-HNNXBMFYSA-N 2 2 304.459 3.021 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000843353899 630648905 /nfs/dbraw/zinc/64/89/05/630648905.db2.gz QFMUBTHVWPCWID-YQQAZPJKSA-N 2 2 317.477 3.198 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000843353899 630648906 /nfs/dbraw/zinc/64/89/06/630648906.db2.gz QFMUBTHVWPCWID-YQQAZPJKSA-N 2 2 317.477 3.198 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000843357355 630649291 /nfs/dbraw/zinc/64/92/91/630649291.db2.gz GVQBDEBHRUCXRL-LSDHHAIUSA-N 2 2 311.429 3.279 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000843357355 630649294 /nfs/dbraw/zinc/64/92/94/630649294.db2.gz GVQBDEBHRUCXRL-LSDHHAIUSA-N 2 2 311.429 3.279 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000846144910 631211841 /nfs/dbraw/zinc/21/18/41/631211841.db2.gz KVFCOCSQAFYJPR-OTWHNJEPSA-N 2 2 320.452 3.366 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000846144910 631211842 /nfs/dbraw/zinc/21/18/42/631211842.db2.gz KVFCOCSQAFYJPR-OTWHNJEPSA-N 2 2 320.452 3.366 20 0 DGADLP CCc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000849057630 631821945 /nfs/dbraw/zinc/82/19/45/631821945.db2.gz QAXOKPKUZDWQOI-CRAIPNDOSA-N 2 2 316.493 3.108 20 0 DGADLP CCc1ccc([C@@H](CNC(=[NH2+])NC2CCCCC2)[NH+](C)C)cc1 ZINC000849057803 631822346 /nfs/dbraw/zinc/82/23/46/631822346.db2.gz QRPUKQQUQSQQRR-GOSISDBHSA-N 2 2 316.493 3.298 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(C)CC3(F)F)CC2)cc1 ZINC000850379672 632133436 /nfs/dbraw/zinc/13/34/36/632133436.db2.gz VGNMNNLMVAPSGD-QGZVFWFLSA-N 2 2 323.431 3.356 20 0 DGADLP FC(F)OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812646 632501120 /nfs/dbraw/zinc/50/11/20/632501120.db2.gz IRYVEKILNIZYDL-DLBZAZTESA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812646 632501124 /nfs/dbraw/zinc/50/11/24/632501124.db2.gz IRYVEKILNIZYDL-DLBZAZTESA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000851812646 632501127 /nfs/dbraw/zinc/50/11/27/632501127.db2.gz IRYVEKILNIZYDL-DLBZAZTESA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000851812646 632501133 /nfs/dbraw/zinc/50/11/33/632501133.db2.gz IRYVEKILNIZYDL-DLBZAZTESA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812648 632501533 /nfs/dbraw/zinc/50/15/33/632501533.db2.gz IRYVEKILNIZYDL-IRXDYDNUSA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812648 632501536 /nfs/dbraw/zinc/50/15/36/632501536.db2.gz IRYVEKILNIZYDL-IRXDYDNUSA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000851812648 632501537 /nfs/dbraw/zinc/50/15/37/632501537.db2.gz IRYVEKILNIZYDL-IRXDYDNUSA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000851812648 632501540 /nfs/dbraw/zinc/50/15/40/632501540.db2.gz IRYVEKILNIZYDL-IRXDYDNUSA-N 2 2 324.415 3.212 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC000851947255 632528036 /nfs/dbraw/zinc/52/80/36/632528036.db2.gz PKNSTVGJIMXCAQ-STQMWFEESA-N 2 2 309.281 3.032 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC000851947255 632528042 /nfs/dbraw/zinc/52/80/42/632528042.db2.gz PKNSTVGJIMXCAQ-STQMWFEESA-N 2 2 309.281 3.032 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cscc1Br ZINC000709967596 660931807 /nfs/dbraw/zinc/93/18/07/660931807.db2.gz HFFHIJRLBQOIGQ-UHFFFAOYSA-N 2 2 314.252 3.148 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cscc1Br ZINC000709967596 660931810 /nfs/dbraw/zinc/93/18/10/660931810.db2.gz HFFHIJRLBQOIGQ-UHFFFAOYSA-N 2 2 314.252 3.148 20 0 DGADLP Cc1ccccc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002488 655645351 /nfs/dbraw/zinc/64/53/51/655645351.db2.gz PNLNDMSPQKTEJL-UHFFFAOYSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC000981235304 656655253 /nfs/dbraw/zinc/65/52/53/656655253.db2.gz OLTPPGGOEWGXBZ-IAGOWNOFSA-N 2 2 315.461 3.047 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000323800197 657421903 /nfs/dbraw/zinc/42/19/03/657421903.db2.gz KWJIENDQUFIOAM-OAHLLOKOSA-N 2 2 315.465 3.175 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000895380506 657442269 /nfs/dbraw/zinc/44/22/69/657442269.db2.gz YXZCNIQUCXQNBB-DZGCQCFKSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000895380506 657442274 /nfs/dbraw/zinc/44/22/74/657442274.db2.gz YXZCNIQUCXQNBB-DZGCQCFKSA-N 2 2 307.507 3.184 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000067500836 657587398 /nfs/dbraw/zinc/58/73/98/657587398.db2.gz ZFNVHCUYDJSONQ-OAHLLOKOSA-N 2 2 317.433 3.106 20 0 DGADLP CCC[NH+]1CCC2(C[C@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016741770 658323324 /nfs/dbraw/zinc/32/33/24/658323324.db2.gz DGAJUGHCXGATBP-MRXNPFEDSA-N 2 2 315.461 3.001 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157672122 659081921 /nfs/dbraw/zinc/08/19/21/659081921.db2.gz ZAWWTMLVISXWTA-ROUUACIJSA-N 2 2 300.446 3.147 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCO2 ZINC000157672122 659081928 /nfs/dbraw/zinc/08/19/28/659081928.db2.gz ZAWWTMLVISXWTA-ROUUACIJSA-N 2 2 300.446 3.147 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929471359 661310101 /nfs/dbraw/zinc/31/01/01/661310101.db2.gz UIZOQTROMPKYLR-HNNXBMFYSA-N 2 2 318.461 3.016 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929471359 661310104 /nfs/dbraw/zinc/31/01/04/661310104.db2.gz UIZOQTROMPKYLR-HNNXBMFYSA-N 2 2 318.461 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)C[C@@H]1C ZINC000929782512 661338105 /nfs/dbraw/zinc/33/81/05/661338105.db2.gz VVKXMVRINGDLCB-VYDXJSESSA-N 2 2 318.461 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)C(=O)c2ccc(O)cc2)C[C@@H]1C ZINC000929782512 661338107 /nfs/dbraw/zinc/33/81/07/661338107.db2.gz VVKXMVRINGDLCB-VYDXJSESSA-N 2 2 318.461 3.016 20 0 DGADLP Fc1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000929804046 661340229 /nfs/dbraw/zinc/34/02/29/661340229.db2.gz RSQRJMNLCPRQAU-UHFFFAOYSA-N 2 2 323.799 3.392 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930127549 661368567 /nfs/dbraw/zinc/36/85/67/661368567.db2.gz XDUKYGRYMBPIDA-HZPDHXFCSA-N 2 2 305.372 3.254 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930127549 661368571 /nfs/dbraw/zinc/36/85/71/661368571.db2.gz XDUKYGRYMBPIDA-HZPDHXFCSA-N 2 2 305.372 3.254 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577611 661412575 /nfs/dbraw/zinc/41/25/75/661412575.db2.gz URIWWLHOYNHGCF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577611 661412576 /nfs/dbraw/zinc/41/25/76/661412576.db2.gz URIWWLHOYNHGCF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577611 661412577 /nfs/dbraw/zinc/41/25/77/661412577.db2.gz URIWWLHOYNHGCF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)C1 ZINC000930577611 661412578 /nfs/dbraw/zinc/41/25/78/661412578.db2.gz URIWWLHOYNHGCF-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931519345 661484538 /nfs/dbraw/zinc/48/45/38/661484538.db2.gz VBLQXIIOUBEQIM-LJQANCHMSA-N 2 2 311.429 3.188 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931519345 661484541 /nfs/dbraw/zinc/48/45/41/661484541.db2.gz VBLQXIIOUBEQIM-LJQANCHMSA-N 2 2 311.429 3.188 20 0 DGADLP CSCC(C)(C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000934671027 661724261 /nfs/dbraw/zinc/72/42/61/661724261.db2.gz UWGUWMZMKFFIQH-KRWDZBQOSA-N 2 2 322.518 3.009 20 0 DGADLP CSCC(C)(C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000934671027 661724263 /nfs/dbraw/zinc/72/42/63/661724263.db2.gz UWGUWMZMKFFIQH-KRWDZBQOSA-N 2 2 322.518 3.009 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618349 661875394 /nfs/dbraw/zinc/87/53/94/661875394.db2.gz ODCNZQKXOBUKMZ-STQMWFEESA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618349 661875398 /nfs/dbraw/zinc/87/53/98/661875398.db2.gz ODCNZQKXOBUKMZ-STQMWFEESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618349 661875399 /nfs/dbraw/zinc/87/53/99/661875399.db2.gz ODCNZQKXOBUKMZ-STQMWFEESA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618349 661875401 /nfs/dbraw/zinc/87/54/01/661875401.db2.gz ODCNZQKXOBUKMZ-STQMWFEESA-N 2 2 314.260 3.305 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000077290665 662020257 /nfs/dbraw/zinc/02/02/57/662020257.db2.gz OSSSHGCITSKKRM-UHFFFAOYSA-N 2 2 314.477 3.412 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718075686 662216629 /nfs/dbraw/zinc/21/66/29/662216629.db2.gz WCBGENXZZHRXTK-KPFFTGBYSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718075686 662216631 /nfs/dbraw/zinc/21/66/31/662216631.db2.gz WCBGENXZZHRXTK-KPFFTGBYSA-N 2 2 316.489 3.302 20 0 DGADLP Cc1cc2ncn(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000246482379 662261488 /nfs/dbraw/zinc/26/14/88/662261488.db2.gz GRBHKFXOZVOUHR-LIRRHRJNSA-N 2 2 323.444 3.390 20 0 DGADLP Cc1cc2ncn(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000246482379 662261489 /nfs/dbraw/zinc/26/14/89/662261489.db2.gz GRBHKFXOZVOUHR-LIRRHRJNSA-N 2 2 323.444 3.390 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000390318162 685200568 /nfs/dbraw/zinc/20/05/68/685200568.db2.gz XFVQIUIEUVIEBB-SUMWQHHRSA-N 2 2 315.417 3.377 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001075306503 687364668 /nfs/dbraw/zinc/36/46/68/687364668.db2.gz XJUAGTKRTKZXEO-WMLDXEAASA-N 2 2 317.477 3.103 20 0 DGADLP CCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001078685703 687703575 /nfs/dbraw/zinc/70/35/75/687703575.db2.gz QJWWOLNDAWLWSW-HOTGVXAUSA-N 2 2 315.461 3.047 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOc2ccc(F)c(Cl)c2)[C@H]1C ZINC001576650172 1191860185 /nfs/dbraw/zinc/86/01/85/1191860185.db2.gz JYVFWDULWIVTIZ-FRRDWIJNSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOc2ccc(F)c(Cl)c2)[C@H]1C ZINC001576650172 1191860194 /nfs/dbraw/zinc/86/01/94/1191860194.db2.gz JYVFWDULWIVTIZ-FRRDWIJNSA-N 2 2 314.832 3.306 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C[NH3+] ZINC001576709836 1191865102 /nfs/dbraw/zinc/86/51/02/1191865102.db2.gz WGAKCBXIGYOOIH-FXAWDEMLSA-N 3 2 315.505 3.232 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C[NH3+] ZINC001576709836 1191865104 /nfs/dbraw/zinc/86/51/04/1191865104.db2.gz WGAKCBXIGYOOIH-FXAWDEMLSA-N 3 2 315.505 3.232 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C[NH3+] ZINC001576709838 1191865623 /nfs/dbraw/zinc/86/56/23/1191865623.db2.gz WGAKCBXIGYOOIH-PXNSSMCTSA-N 3 2 315.505 3.232 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1C[NH3+] ZINC001576709838 1191865627 /nfs/dbraw/zinc/86/56/27/1191865627.db2.gz WGAKCBXIGYOOIH-PXNSSMCTSA-N 3 2 315.505 3.232 20 0 DGADLP CCCOc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001577590806 1191908558 /nfs/dbraw/zinc/90/85/58/1191908558.db2.gz PDWFLPZFKACSJA-AEFFLSMTSA-N 2 2 320.477 3.141 20 0 DGADLP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577736821 1191914163 /nfs/dbraw/zinc/91/41/63/1191914163.db2.gz ACKIUFJHBGPNQV-HNNXBMFYSA-N 2 2 306.450 3.391 20 0 DGADLP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577736821 1191914165 /nfs/dbraw/zinc/91/41/65/1191914165.db2.gz ACKIUFJHBGPNQV-HNNXBMFYSA-N 2 2 306.450 3.391 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001578275191 1191936685 /nfs/dbraw/zinc/93/66/85/1191936685.db2.gz COWAPGBRIDNHDT-LIRRHRJNSA-N 2 2 310.441 3.362 20 0 DGADLP COc1ccccc1[C@H]([NH3+])CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001579303600 1191973139 /nfs/dbraw/zinc/97/31/39/1191973139.db2.gz YSCJQVKFTBADHQ-OAHLLOKOSA-N 2 2 312.417 3.173 20 0 DGADLP Cc1c2ccccc2sc1[C@@H](C)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001579544031 1191979597 /nfs/dbraw/zinc/97/95/97/1191979597.db2.gz PCKVBBKHZJBXDT-UMVBOHGHSA-N 2 2 304.459 3.237 20 0 DGADLP Cc1cccc2c1C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccccc1)CO2 ZINC001579775890 1191992562 /nfs/dbraw/zinc/99/25/62/1191992562.db2.gz HPHFSWNPTJIINN-NSHGMRRFSA-N 2 2 322.452 3.034 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)CC(F)(F)F ZINC001580132438 1192009263 /nfs/dbraw/zinc/00/92/63/1192009263.db2.gz PAEPAPRTWGHJQR-LURJTMIESA-N 2 2 306.275 3.136 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157696 1192010971 /nfs/dbraw/zinc/01/09/71/1192010971.db2.gz KIBGBOASTKLHCM-APWZRJJASA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157696 1192010974 /nfs/dbraw/zinc/01/09/74/1192010974.db2.gz KIBGBOASTKLHCM-APWZRJJASA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc2c(cccc2O)s1 ZINC001580404916 1192025491 /nfs/dbraw/zinc/02/54/91/1192025491.db2.gz RUHFCZKPGFQPQK-CRAIPNDOSA-N 2 2 310.422 3.321 20 0 DGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)CCCO2 ZINC001580890120 1192044111 /nfs/dbraw/zinc/04/41/11/1192044111.db2.gz IEHZDNMTIZENNS-MSOLQXFVSA-N 2 2 300.446 3.118 20 0 DGADLP c1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)CCCO2 ZINC001580890120 1192044114 /nfs/dbraw/zinc/04/41/14/1192044114.db2.gz IEHZDNMTIZENNS-MSOLQXFVSA-N 2 2 300.446 3.118 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(Br)c1 ZINC001661276931 1196591279 /nfs/dbraw/zinc/59/12/79/1196591279.db2.gz UFAQQZGAMLKJIF-UHFFFAOYSA-N 2 2 320.234 3.200 20 0 DGADLP CCn1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001620810935 1192105516 /nfs/dbraw/zinc/10/55/16/1192105516.db2.gz GYNCPXFZZSBNON-WMLDXEAASA-N 2 2 318.490 3.137 20 0 DGADLP CCn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC001620810935 1192105518 /nfs/dbraw/zinc/10/55/18/1192105518.db2.gz GYNCPXFZZSBNON-WMLDXEAASA-N 2 2 318.490 3.137 20 0 DGADLP CCc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001620866733 1192485512 /nfs/dbraw/zinc/48/55/12/1192485512.db2.gz GZYHBWWPBAIXJS-LJQANCHMSA-N 2 2 324.472 3.396 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001620957964 1192653151 /nfs/dbraw/zinc/65/31/51/1192653151.db2.gz WYAWULQNHLXONI-CYBMUJFWSA-N 2 2 305.809 3.109 20 0 DGADLP CC[NH+](CC)C[C@H](C)NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000378917216 1176753245 /nfs/dbraw/zinc/75/32/45/1176753245.db2.gz MUNWFHMAADHUCG-HNNXBMFYSA-N 2 2 300.450 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001755596502 1177084553 /nfs/dbraw/zinc/08/45/53/1177084553.db2.gz JODNFMXZQROGNE-OAHLLOKOSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000229067955 1177629612 /nfs/dbraw/zinc/62/96/12/1177629612.db2.gz XRTJJKQRJFCRJS-FZMZJTMJSA-N 2 2 311.267 3.174 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000229067955 1177629623 /nfs/dbraw/zinc/62/96/23/1177629623.db2.gz XRTJJKQRJFCRJS-FZMZJTMJSA-N 2 2 311.267 3.174 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC001331250982 1178164331 /nfs/dbraw/zinc/16/43/31/1178164331.db2.gz AFJYPBJWRJCBKO-IAGOWNOFSA-N 2 2 317.477 3.024 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC001331250982 1178164333 /nfs/dbraw/zinc/16/43/33/1178164333.db2.gz AFJYPBJWRJCBKO-IAGOWNOFSA-N 2 2 317.477 3.024 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(CC(C)C)c[nH]1 ZINC001331380197 1178199767 /nfs/dbraw/zinc/19/97/67/1178199767.db2.gz IEPISAQXJOGPCH-UHFFFAOYSA-N 2 2 323.400 3.355 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001331566010 1178249232 /nfs/dbraw/zinc/24/92/32/1178249232.db2.gz QYDRVPSBTUNBCK-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)[nH+]c1C ZINC001332076717 1178352621 /nfs/dbraw/zinc/35/26/21/1178352621.db2.gz JTBFPMLIXGFLNN-CQSZACIVSA-N 2 2 300.406 3.005 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001333840481 1178683751 /nfs/dbraw/zinc/68/37/51/1178683751.db2.gz FXKYMTIQAILYFA-CMKODMSKSA-N 3 2 324.472 3.034 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001333840481 1178683753 /nfs/dbraw/zinc/68/37/53/1178683753.db2.gz FXKYMTIQAILYFA-CMKODMSKSA-N 3 2 324.472 3.034 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC001335212412 1178869972 /nfs/dbraw/zinc/86/99/72/1178869972.db2.gz RIQPRIWCWFPDBI-BBRMVZONSA-N 2 2 308.853 3.233 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC001335212412 1178869980 /nfs/dbraw/zinc/86/99/80/1178869980.db2.gz RIQPRIWCWFPDBI-BBRMVZONSA-N 2 2 308.853 3.233 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC001342506051 1179147074 /nfs/dbraw/zinc/14/70/74/1179147074.db2.gz ZUIOWFNXQXJQKA-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001342506051 1179147076 /nfs/dbraw/zinc/14/70/76/1179147076.db2.gz ZUIOWFNXQXJQKA-INIZCTEOSA-N 2 2 320.440 3.423 20 0 DGADLP FC(F)(F)CCC[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC001342898362 1179205748 /nfs/dbraw/zinc/20/57/48/1179205748.db2.gz RBIFAEOCYHXJFI-UHFFFAOYSA-N 2 2 310.429 3.280 20 0 DGADLP Cc1cc(N2CCCN(c3cc[nH+]cc3)CC2)nc(C2CCC2)[nH+]1 ZINC001343190218 1179243283 /nfs/dbraw/zinc/24/32/83/1179243283.db2.gz ZETTXFTUTQPFEO-UHFFFAOYSA-N 2 2 323.444 3.164 20 0 DGADLP Cc1cc(N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nc(C2CCC2)[nH+]1 ZINC001343306367 1179254580 /nfs/dbraw/zinc/25/45/80/1179254580.db2.gz PCMGCFLYSTVIHI-YESZJQIVSA-N 2 2 314.477 3.219 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC001345482173 1179565101 /nfs/dbraw/zinc/56/51/01/1179565101.db2.gz LAKICJUHZPNEPI-NOZJJQNGSA-N 2 2 315.230 3.163 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC001346589019 1179722976 /nfs/dbraw/zinc/72/29/76/1179722976.db2.gz SMOUDHNTMFRIHS-UHFFFAOYSA-N 2 2 314.458 3.051 20 0 DGADLP Cc1ccccc1NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC001346589019 1179722982 /nfs/dbraw/zinc/72/29/82/1179722982.db2.gz SMOUDHNTMFRIHS-UHFFFAOYSA-N 2 2 314.458 3.051 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001347468347 1179814135 /nfs/dbraw/zinc/81/41/35/1179814135.db2.gz UZAATPRMPQCRMF-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001347468347 1179814143 /nfs/dbraw/zinc/81/41/43/1179814143.db2.gz UZAATPRMPQCRMF-HNNXBMFYSA-N 2 2 308.429 3.356 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316066 1193002473 /nfs/dbraw/zinc/00/24/73/1193002473.db2.gz WZUHLEGBCZLUEG-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316066 1193002477 /nfs/dbraw/zinc/00/24/77/1193002477.db2.gz WZUHLEGBCZLUEG-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316066 1193002479 /nfs/dbraw/zinc/00/24/79/1193002479.db2.gz WZUHLEGBCZLUEG-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316066 1193002483 /nfs/dbraw/zinc/00/24/83/1193002483.db2.gz WZUHLEGBCZLUEG-OXQOHEQNSA-N 2 2 313.489 3.185 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3Cc4ccccc4O3)c2)c[nH+]1 ZINC001200161818 1180417107 /nfs/dbraw/zinc/41/71/07/1180417107.db2.gz MVPNHTZLRIQABJ-HNNXBMFYSA-N 2 2 311.410 3.027 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc2)[nH+]c1C ZINC001353146220 1180474668 /nfs/dbraw/zinc/47/46/68/1180474668.db2.gz LCOTWDFZDGWRTK-BDJLRTHQSA-N 2 2 314.433 3.251 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)[nH+]c1C ZINC001353145774 1180474686 /nfs/dbraw/zinc/47/46/86/1180474686.db2.gz CGPGKLNRKMWNSI-HNNXBMFYSA-N 2 2 312.417 3.020 20 0 DGADLP CC(C)CC[C@@H](O)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001356532469 1181210006 /nfs/dbraw/zinc/21/00/06/1181210006.db2.gz KNXNELCOJMSAEX-MSOLQXFVSA-N 2 2 315.461 3.091 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(C)c1 ZINC001650643158 1195367828 /nfs/dbraw/zinc/36/78/28/1195367828.db2.gz PLPKIHIXAHAYPC-SFHVURJKSA-N 2 2 322.518 3.311 20 0 DGADLP CCCOc1cccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460558389 1182696026 /nfs/dbraw/zinc/69/60/26/1182696026.db2.gz HMOYVDSMGXIBIB-KDURUIRLSA-N 2 2 302.462 3.249 20 0 DGADLP CCCOc1cccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460558389 1182696029 /nfs/dbraw/zinc/69/60/29/1182696029.db2.gz HMOYVDSMGXIBIB-KDURUIRLSA-N 2 2 302.462 3.249 20 0 DGADLP CCCOc1cccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001460558389 1182696033 /nfs/dbraw/zinc/69/60/33/1182696033.db2.gz HMOYVDSMGXIBIB-KDURUIRLSA-N 2 2 302.462 3.249 20 0 DGADLP CCCOc1cccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001460558389 1182696038 /nfs/dbraw/zinc/69/60/38/1182696038.db2.gz HMOYVDSMGXIBIB-KDURUIRLSA-N 2 2 302.462 3.249 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cs1 ZINC001460605541 1182699601 /nfs/dbraw/zinc/69/96/01/1182699601.db2.gz HYMNEXPUNFSTKI-CABCVRRESA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cs1 ZINC001460605541 1182699604 /nfs/dbraw/zinc/69/96/04/1182699604.db2.gz HYMNEXPUNFSTKI-CABCVRRESA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cs1 ZINC001460605541 1182699606 /nfs/dbraw/zinc/69/96/06/1182699606.db2.gz HYMNEXPUNFSTKI-CABCVRRESA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cs1 ZINC001460605541 1182699609 /nfs/dbraw/zinc/69/96/09/1182699609.db2.gz HYMNEXPUNFSTKI-CABCVRRESA-N 2 2 307.507 3.115 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc3ccccc3s2)C[C@H](C)O1 ZINC001461014671 1182755785 /nfs/dbraw/zinc/75/57/85/1182755785.db2.gz UZUUQUUHNZVKBK-GJZGRUSLSA-N 2 2 318.486 3.490 20 0 DGADLP COc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC001461046679 1182761538 /nfs/dbraw/zinc/76/15/38/1182761538.db2.gz ILNAXWBNENDAOT-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC001461046679 1182761544 /nfs/dbraw/zinc/76/15/44/1182761544.db2.gz ILNAXWBNENDAOT-GASCZTMLSA-N 2 2 308.441 3.292 20 0 DGADLP FC(F)COc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC001461093395 1182766569 /nfs/dbraw/zinc/76/65/69/1182766569.db2.gz XMSRYHLYDYEQNQ-UHFFFAOYSA-N 2 2 309.360 3.097 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001461108158 1182767825 /nfs/dbraw/zinc/76/78/25/1182767825.db2.gz ZGAXULLPUDBGDI-UHFFFAOYSA-N 2 2 324.403 3.367 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1COc2ccccc2C1 ZINC001462489431 1182961575 /nfs/dbraw/zinc/96/15/75/1182961575.db2.gz ZMKXPVVDGQNGTK-KVSKMBFKSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@H]1COc2ccccc2C1 ZINC001462489431 1182961578 /nfs/dbraw/zinc/96/15/78/1182961578.db2.gz ZMKXPVVDGQNGTK-KVSKMBFKSA-N 2 2 314.473 3.233 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)C[C@]2(C)C1 ZINC001462617840 1182976372 /nfs/dbraw/zinc/97/63/72/1182976372.db2.gz JXNNCVWPHIXZKC-CVEARBPZSA-N 2 2 312.379 3.175 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3CC(F)(F)F)C[C@]2(C)C1 ZINC001462617840 1182976373 /nfs/dbraw/zinc/97/63/73/1182976373.db2.gz JXNNCVWPHIXZKC-CVEARBPZSA-N 2 2 312.379 3.175 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)C[C@]2(C)C1 ZINC001462617840 1182976379 /nfs/dbraw/zinc/97/63/79/1182976379.db2.gz JXNNCVWPHIXZKC-CVEARBPZSA-N 2 2 312.379 3.175 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)C[C@]2(C)C1 ZINC001462617840 1182976386 /nfs/dbraw/zinc/97/63/86/1182976386.db2.gz JXNNCVWPHIXZKC-CVEARBPZSA-N 2 2 312.379 3.175 20 0 DGADLP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473358277 1183747868 /nfs/dbraw/zinc/74/78/68/1183747868.db2.gz SVNNPAPNRULUJW-OXJNMPFZSA-N 2 2 321.424 3.127 20 0 DGADLP C[C@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001474099553 1183867396 /nfs/dbraw/zinc/86/73/96/1183867396.db2.gz FOFSRXUDIBNLHJ-LBPRGKRZSA-N 2 2 315.808 3.110 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001474304300 1183901500 /nfs/dbraw/zinc/90/15/00/1183901500.db2.gz NWQVEKIJISLFCT-HNNXBMFYSA-N 2 2 300.450 3.287 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316596 1183903715 /nfs/dbraw/zinc/90/37/15/1183903715.db2.gz CKLBOBOAWYJFOK-PBHICJAKSA-N 2 2 307.457 3.196 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316596 1183903716 /nfs/dbraw/zinc/90/37/16/1183903716.db2.gz CKLBOBOAWYJFOK-PBHICJAKSA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316596 1183903717 /nfs/dbraw/zinc/90/37/17/1183903717.db2.gz CKLBOBOAWYJFOK-PBHICJAKSA-N 2 2 307.457 3.196 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2N(C)C)C[C@H]1C ZINC001474316596 1183903719 /nfs/dbraw/zinc/90/37/19/1183903719.db2.gz CKLBOBOAWYJFOK-PBHICJAKSA-N 2 2 307.457 3.196 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465334 1183925897 /nfs/dbraw/zinc/92/58/97/1183925897.db2.gz NQLCCRWWFLBQOI-DNVCBOLYSA-N 2 2 313.445 3.106 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465334 1183925901 /nfs/dbraw/zinc/92/59/01/1183925901.db2.gz NQLCCRWWFLBQOI-DNVCBOLYSA-N 2 2 313.445 3.106 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495720 1183931035 /nfs/dbraw/zinc/93/10/35/1183931035.db2.gz BOUXCGQWVCBTMF-YESZJQIVSA-N 2 2 308.510 3.434 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495720 1183931036 /nfs/dbraw/zinc/93/10/36/1183931036.db2.gz BOUXCGQWVCBTMF-YESZJQIVSA-N 2 2 308.510 3.434 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1C1CCCC1 ZINC001474500753 1183931988 /nfs/dbraw/zinc/93/19/88/1183931988.db2.gz HFWRBAGFINWVNB-UHFFFAOYSA-N 2 2 318.509 3.386 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1C1CCCC1 ZINC001474500753 1183931990 /nfs/dbraw/zinc/93/19/90/1183931990.db2.gz HFWRBAGFINWVNB-UHFFFAOYSA-N 2 2 318.509 3.386 20 0 DGADLP CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)C ZINC001479848108 1184347196 /nfs/dbraw/zinc/34/71/96/1184347196.db2.gz YIIMYMYUNMANRA-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC(C)C ZINC001479848108 1184347206 /nfs/dbraw/zinc/34/72/06/1184347206.db2.gz YIIMYMYUNMANRA-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CCC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001479871965 1184358704 /nfs/dbraw/zinc/35/87/04/1184358704.db2.gz CKAQLUMWTSPOJL-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP CCC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001479871965 1184358710 /nfs/dbraw/zinc/35/87/10/1184358710.db2.gz CKAQLUMWTSPOJL-UHFFFAOYSA-N 2 2 303.450 3.001 20 0 DGADLP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001503363889 1186043835 /nfs/dbraw/zinc/04/38/35/1186043835.db2.gz VALTVCJLNZNBPO-KIUWMYQTSA-N 2 2 317.477 3.461 20 0 DGADLP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001506010569 1186182123 /nfs/dbraw/zinc/18/21/23/1186182123.db2.gz UZVOBMCMUMGQFZ-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001506010569 1186182126 /nfs/dbraw/zinc/18/21/26/1186182126.db2.gz UZVOBMCMUMGQFZ-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001548337689 1188456463 /nfs/dbraw/zinc/45/64/63/1188456463.db2.gz LZAALUOPWKBGHL-CVEARBPZSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC001548337689 1188456464 /nfs/dbraw/zinc/45/64/64/1188456464.db2.gz LZAALUOPWKBGHL-CVEARBPZSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001548851849 1188466663 /nfs/dbraw/zinc/46/66/63/1188466663.db2.gz LZBXLVWTKYFTHR-YPMHNXCESA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001548851849 1188466665 /nfs/dbraw/zinc/46/66/65/1188466665.db2.gz LZBXLVWTKYFTHR-YPMHNXCESA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001548900254 1188475636 /nfs/dbraw/zinc/47/56/36/1188475636.db2.gz HLQVOTWDPHXWRK-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001548900254 1188475637 /nfs/dbraw/zinc/47/56/37/1188475637.db2.gz HLQVOTWDPHXWRK-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC001548920259 1188480846 /nfs/dbraw/zinc/48/08/46/1188480846.db2.gz KNHXDXUFFMKJMA-HYEGPXJVSA-N 2 2 320.452 3.003 20 0 DGADLP CC(C)[C@@H]1C[C@H](C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCO1 ZINC001548920259 1188480848 /nfs/dbraw/zinc/48/08/48/1188480848.db2.gz KNHXDXUFFMKJMA-HYEGPXJVSA-N 2 2 320.452 3.003 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087367 1188492359 /nfs/dbraw/zinc/49/23/59/1188492359.db2.gz GGFZFACZGYXEIJ-HNAYVOBHSA-N 2 2 312.461 3.007 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549087367 1188492363 /nfs/dbraw/zinc/49/23/63/1188492363.db2.gz GGFZFACZGYXEIJ-HNAYVOBHSA-N 2 2 312.461 3.007 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)c1Cl ZINC001549087782 1188493760 /nfs/dbraw/zinc/49/37/60/1188493760.db2.gz ZZTSINHMRMRUEG-WMLDXEAASA-N 2 2 324.900 3.206 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)c1Cl ZINC001549087782 1188493762 /nfs/dbraw/zinc/49/37/62/1188493762.db2.gz ZZTSINHMRMRUEG-WMLDXEAASA-N 2 2 324.900 3.206 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222441 1188507244 /nfs/dbraw/zinc/50/72/44/1188507244.db2.gz MLWKRRCMCJMPGE-AEFFLSMTSA-N 2 2 305.466 3.195 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C1CCCCC1 ZINC001549222441 1188507246 /nfs/dbraw/zinc/50/72/46/1188507246.db2.gz MLWKRRCMCJMPGE-AEFFLSMTSA-N 2 2 305.466 3.195 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001550057669 1188575895 /nfs/dbraw/zinc/57/58/95/1188575895.db2.gz BAEISCBIAKNQLY-OAHLLOKOSA-N 2 2 317.408 3.338 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001550057669 1188575899 /nfs/dbraw/zinc/57/58/99/1188575899.db2.gz BAEISCBIAKNQLY-OAHLLOKOSA-N 2 2 317.408 3.338 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)cs1 ZINC001550540624 1188621959 /nfs/dbraw/zinc/62/19/59/1188621959.db2.gz HYMNEXPUNFSTKI-GJZGRUSLSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)cs1 ZINC001550540624 1188621960 /nfs/dbraw/zinc/62/19/60/1188621960.db2.gz HYMNEXPUNFSTKI-GJZGRUSLSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@H]3C2)cs1 ZINC001550540624 1188621961 /nfs/dbraw/zinc/62/19/61/1188621961.db2.gz HYMNEXPUNFSTKI-GJZGRUSLSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)cs1 ZINC001550540624 1188621962 /nfs/dbraw/zinc/62/19/62/1188621962.db2.gz HYMNEXPUNFSTKI-GJZGRUSLSA-N 2 2 307.507 3.115 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC001550541569 1188622527 /nfs/dbraw/zinc/62/25/27/1188622527.db2.gz ZQDOMJVBEPWJJD-GJZGRUSLSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC001550541569 1188622528 /nfs/dbraw/zinc/62/25/28/1188622528.db2.gz ZQDOMJVBEPWJJD-GJZGRUSLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC001550541569 1188622530 /nfs/dbraw/zinc/62/25/30/1188622530.db2.gz ZQDOMJVBEPWJJD-GJZGRUSLSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@@H]2C1 ZINC001550541569 1188622532 /nfs/dbraw/zinc/62/25/32/1188622532.db2.gz ZQDOMJVBEPWJJD-GJZGRUSLSA-N 2 2 305.491 3.184 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)CCOC3)CC1 ZINC001550705526 1188643205 /nfs/dbraw/zinc/64/32/05/1188643205.db2.gz WDERGGGWVYXMSC-UHFFFAOYSA-N 2 2 314.473 3.210 20 0 DGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc2c(c1)OCCCO2 ZINC001551376557 1188731800 /nfs/dbraw/zinc/73/18/00/1188731800.db2.gz ACZJJMBLMDPSLD-ROOHIHILSA-N 2 2 324.424 3.123 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC001553762166 1188950503 /nfs/dbraw/zinc/95/05/03/1188950503.db2.gz QFPVVZFCNASMKE-CQSZACIVSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC001553762166 1188950506 /nfs/dbraw/zinc/95/05/06/1188950506.db2.gz QFPVVZFCNASMKE-CQSZACIVSA-N 2 2 312.442 3.409 20 0 DGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)C(C)C ZINC001559505204 1189212180 /nfs/dbraw/zinc/21/21/80/1189212180.db2.gz DPXJILGEPICADX-KRWDZBQOSA-N 2 2 304.478 3.385 20 0 DGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)C(C)C ZINC001559505204 1189212184 /nfs/dbraw/zinc/21/21/84/1189212184.db2.gz DPXJILGEPICADX-KRWDZBQOSA-N 2 2 304.478 3.385 20 0 DGADLP CC(C)[C@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001559580954 1189220163 /nfs/dbraw/zinc/22/01/63/1189220163.db2.gz UYLQWRHQIAVKKN-LJQANCHMSA-N 2 2 313.445 3.133 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)C12CCCC2 ZINC001559819921 1189245348 /nfs/dbraw/zinc/24/53/48/1189245348.db2.gz DDYMFQPXUFZCQK-XWTMOSNGSA-N 2 2 308.510 3.292 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C12CCCC2 ZINC001559819921 1189245351 /nfs/dbraw/zinc/24/53/51/1189245351.db2.gz DDYMFQPXUFZCQK-XWTMOSNGSA-N 2 2 308.510 3.292 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC001559840268 1189247978 /nfs/dbraw/zinc/24/79/78/1189247978.db2.gz XRIWCFHZOCAHFK-SFHVURJKSA-N 2 2 315.461 3.410 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC001559840268 1189247980 /nfs/dbraw/zinc/24/79/80/1189247980.db2.gz XRIWCFHZOCAHFK-SFHVURJKSA-N 2 2 315.461 3.410 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC1(C)C ZINC001559921785 1189256691 /nfs/dbraw/zinc/25/66/91/1189256691.db2.gz SBEZLWSPLRQZDJ-MOPGFXCFSA-N 2 2 316.489 3.433 20 0 DGADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560068742 1189275098 /nfs/dbraw/zinc/27/50/98/1189275098.db2.gz HAAPHBYSZKROJG-ROUUACIJSA-N 2 2 324.509 3.161 20 0 DGADLP COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560068742 1189275104 /nfs/dbraw/zinc/27/51/04/1189275104.db2.gz HAAPHBYSZKROJG-ROUUACIJSA-N 2 2 324.509 3.161 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001560232737 1189295301 /nfs/dbraw/zinc/29/53/01/1189295301.db2.gz GNTHEJUIDCFVAQ-UHFFFAOYSA-N 2 2 305.372 3.120 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC001560234966 1189296013 /nfs/dbraw/zinc/29/60/13/1189296013.db2.gz VMRAFEZZYIBWEX-INIZCTEOSA-N 2 2 307.482 3.370 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC001560234966 1189296016 /nfs/dbraw/zinc/29/60/16/1189296016.db2.gz VMRAFEZZYIBWEX-INIZCTEOSA-N 2 2 307.482 3.370 20 0 DGADLP COC(=O)CCCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234818 1189296257 /nfs/dbraw/zinc/29/62/57/1189296257.db2.gz QVJWHYXIYVSIQM-HNNXBMFYSA-N 2 2 321.465 3.161 20 0 DGADLP COC(=O)CCCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234818 1189296260 /nfs/dbraw/zinc/29/62/60/1189296260.db2.gz QVJWHYXIYVSIQM-HNNXBMFYSA-N 2 2 321.465 3.161 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001560437829 1189329798 /nfs/dbraw/zinc/32/97/98/1189329798.db2.gz BETOIQKOKFKTSO-HNNXBMFYSA-N 2 2 322.493 3.476 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001560437829 1189329800 /nfs/dbraw/zinc/32/98/00/1189329800.db2.gz BETOIQKOKFKTSO-HNNXBMFYSA-N 2 2 322.493 3.476 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560627539 1189350943 /nfs/dbraw/zinc/35/09/43/1189350943.db2.gz DMGSQVDBLRVMTM-HNNXBMFYSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3scnc3c2)C1 ZINC001560627539 1189350945 /nfs/dbraw/zinc/35/09/45/1189350945.db2.gz DMGSQVDBLRVMTM-HNNXBMFYSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001560627539 1189350947 /nfs/dbraw/zinc/35/09/47/1189350947.db2.gz DMGSQVDBLRVMTM-HNNXBMFYSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001560627539 1189350949 /nfs/dbraw/zinc/35/09/49/1189350949.db2.gz DMGSQVDBLRVMTM-HNNXBMFYSA-N 2 2 303.475 3.460 20 0 DGADLP Cc1cc(NC2CCC(C)([NH+]3CCOCC3)CC2)c[nH+]c1C ZINC001560986023 1189415669 /nfs/dbraw/zinc/41/56/69/1189415669.db2.gz SRRCDQFDZKWDEB-UHFFFAOYSA-N 2 2 303.450 3.144 20 0 DGADLP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001570536838 1190879023 /nfs/dbraw/zinc/87/90/23/1190879023.db2.gz UAJNUKYVUYDKQQ-QGZVFWFLSA-N 2 2 317.477 3.343 20 0 DGADLP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001570536838 1190879026 /nfs/dbraw/zinc/87/90/26/1190879026.db2.gz UAJNUKYVUYDKQQ-QGZVFWFLSA-N 2 2 317.477 3.343 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]CC(C)C)c(C)[nH+]1 ZINC001571288358 1190989751 /nfs/dbraw/zinc/98/97/51/1190989751.db2.gz PPSGFCNCDAERHX-CQSZACIVSA-N 2 2 305.466 3.151 20 0 DGADLP Cn1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC001620757948 1191439593 /nfs/dbraw/zinc/43/95/93/1191439593.db2.gz MZXBLFPXUXDWLP-UHFFFAOYSA-N 2 2 312.461 3.086 20 0 DGADLP CC[N@H+](CC[NH2+][C@H]1CCCc2c(cccc2OC)C1)C1CC1 ZINC001620762105 1191443074 /nfs/dbraw/zinc/44/30/74/1191443074.db2.gz HENWNYOMTVNBCC-INIZCTEOSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H]1CCCc2c(cccc2OC)C1)C1CC1 ZINC001620762105 1191443076 /nfs/dbraw/zinc/44/30/76/1191443076.db2.gz HENWNYOMTVNBCC-INIZCTEOSA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001575116078 1191466911 /nfs/dbraw/zinc/46/69/11/1191466911.db2.gz PHVCCIOYHJSFBH-MRXNPFEDSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001575116078 1191466912 /nfs/dbraw/zinc/46/69/12/1191466912.db2.gz PHVCCIOYHJSFBH-MRXNPFEDSA-N 2 2 300.368 3.301 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1cccc(Br)c1Cl)C1CC1 ZINC001575976245 1191520344 /nfs/dbraw/zinc/52/03/44/1191520344.db2.gz VFZMGOTXOIARAC-ZDUSSCGKSA-N 2 2 317.658 3.320 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC001576245767 1191547258 /nfs/dbraw/zinc/54/72/58/1191547258.db2.gz RSAVDHSGBWNYRH-UWVGGRQHSA-N 2 2 307.385 3.202 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC001576391549 1191584285 /nfs/dbraw/zinc/58/42/85/1191584285.db2.gz SZLCXOUWKGKZAX-RTXFEEFZSA-N 2 2 314.260 3.255 20 0 DGADLP C[N@H+](C[C@@H]1CC1(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454893 1193769837 /nfs/dbraw/zinc/76/98/37/1193769837.db2.gz GVFFMZRCAPFMJS-OALUTQOASA-N 2 2 316.489 3.255 20 0 DGADLP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454893 1193769841 /nfs/dbraw/zinc/76/98/41/1193769841.db2.gz GVFFMZRCAPFMJS-OALUTQOASA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@@H]1CC1(C)C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001620454893 1193769844 /nfs/dbraw/zinc/76/98/44/1193769844.db2.gz GVFFMZRCAPFMJS-OALUTQOASA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@@H]1CC1(C)C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001620454893 1193769847 /nfs/dbraw/zinc/76/98/47/1193769847.db2.gz GVFFMZRCAPFMJS-OALUTQOASA-N 2 2 316.489 3.255 20 0 DGADLP C[N@H+](C[C@H]1CC1(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454895 1193770318 /nfs/dbraw/zinc/77/03/18/1193770318.db2.gz GVFFMZRCAPFMJS-RTBURBONSA-N 2 2 316.489 3.255 20 0 DGADLP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454895 1193770321 /nfs/dbraw/zinc/77/03/21/1193770321.db2.gz GVFFMZRCAPFMJS-RTBURBONSA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@H]1CC1(C)C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001620454895 1193770323 /nfs/dbraw/zinc/77/03/23/1193770323.db2.gz GVFFMZRCAPFMJS-RTBURBONSA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@H]1CC1(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001620454895 1193770325 /nfs/dbraw/zinc/77/03/25/1193770325.db2.gz GVFFMZRCAPFMJS-RTBURBONSA-N 2 2 316.489 3.255 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccns2)cc1F ZINC001620742471 1193796601 /nfs/dbraw/zinc/79/66/01/1193796601.db2.gz GKTOTLXAMHOCNS-UHFFFAOYSA-N 2 2 302.378 3.066 20 0 DGADLP COC1(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCC1 ZINC001621274880 1193826276 /nfs/dbraw/zinc/82/62/76/1193826276.db2.gz RIOHAVSFMNJIPW-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCC1 ZINC001621274880 1193826280 /nfs/dbraw/zinc/82/62/80/1193826280.db2.gz RIOHAVSFMNJIPW-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001621433944 1193841712 /nfs/dbraw/zinc/84/17/12/1193841712.db2.gz FNOIYNPNTNOJMD-VHBXLISGSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CC(CC[NH2+][C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001621433944 1193841716 /nfs/dbraw/zinc/84/17/16/1193841716.db2.gz FNOIYNPNTNOJMD-VHBXLISGSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001621553015 1193857860 /nfs/dbraw/zinc/85/78/60/1193857860.db2.gz ZRINEJWTLMIZDJ-JKSUJKDBSA-N 2 2 312.498 3.208 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001621553015 1193857862 /nfs/dbraw/zinc/85/78/62/1193857862.db2.gz ZRINEJWTLMIZDJ-JKSUJKDBSA-N 2 2 312.498 3.208 20 0 DGADLP COC1CC(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001621569390 1193860297 /nfs/dbraw/zinc/86/02/97/1193860297.db2.gz SXTJZWGENXXASS-PCKAHOCUSA-N 2 2 305.466 3.243 20 0 DGADLP COC1CC(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001621569390 1193860299 /nfs/dbraw/zinc/86/02/99/1193860299.db2.gz SXTJZWGENXXASS-PCKAHOCUSA-N 2 2 305.466 3.243 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)nc(C)[nH+]1 ZINC001640307774 1194806287 /nfs/dbraw/zinc/80/62/87/1194806287.db2.gz PVUUUQQZQVOXRX-GOSISDBHSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)nc(C)[nH+]1 ZINC001640307774 1194806289 /nfs/dbraw/zinc/80/62/89/1194806289.db2.gz PVUUUQQZQVOXRX-GOSISDBHSA-N 2 2 310.445 3.342 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654110 1194865626 /nfs/dbraw/zinc/86/56/26/1194865626.db2.gz YYTSLYBWCANKRX-IBGZPJMESA-N 2 2 318.505 3.043 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654110 1194865629 /nfs/dbraw/zinc/86/56/29/1194865629.db2.gz YYTSLYBWCANKRX-IBGZPJMESA-N 2 2 318.505 3.043 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654110 1194865632 /nfs/dbraw/zinc/86/56/32/1194865632.db2.gz YYTSLYBWCANKRX-IBGZPJMESA-N 2 2 318.505 3.043 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001641654110 1194865635 /nfs/dbraw/zinc/86/56/35/1194865635.db2.gz YYTSLYBWCANKRX-IBGZPJMESA-N 2 2 318.505 3.043 20 0 DGADLP Fc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC001642120092 1194889080 /nfs/dbraw/zinc/88/90/80/1194889080.db2.gz FHUJPXOAQXNSRF-GFCCVEGCSA-N 2 2 323.799 3.461 20 0 DGADLP Fc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC001642120092 1194889082 /nfs/dbraw/zinc/88/90/82/1194889082.db2.gz FHUJPXOAQXNSRF-GFCCVEGCSA-N 2 2 323.799 3.461 20 0 DGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CC4(CO3)CCCCC4)CC2)[nH]1 ZINC001644741639 1195130686 /nfs/dbraw/zinc/13/06/86/1195130686.db2.gz SNSPEFYFWDKBEB-MRXNPFEDSA-N 2 2 303.450 3.329 20 0 DGADLP C[C@@]12C[NH+](Cc3ccncc3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001648035635 1195272419 /nfs/dbraw/zinc/27/24/19/1195272419.db2.gz NYMUYTHXURPPBD-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@@]12C[NH+](Cc3ccncc3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001648035635 1195272421 /nfs/dbraw/zinc/27/24/21/1195272421.db2.gz NYMUYTHXURPPBD-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](Cc1ccncc1)C2 ZINC001648035635 1195272423 /nfs/dbraw/zinc/27/24/23/1195272423.db2.gz NYMUYTHXURPPBD-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](Cc1ccncc1)C2 ZINC001648035635 1195272427 /nfs/dbraw/zinc/27/24/27/1195272427.db2.gz NYMUYTHXURPPBD-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1F ZINC001648369088 1195295101 /nfs/dbraw/zinc/29/51/01/1195295101.db2.gz DKQSFFMABJJXDN-AWEZNQCLSA-N 2 2 317.383 3.379 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1F ZINC001648369088 1195295103 /nfs/dbraw/zinc/29/51/03/1195295103.db2.gz DKQSFFMABJJXDN-AWEZNQCLSA-N 2 2 317.383 3.379 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001648641680 1195316605 /nfs/dbraw/zinc/31/66/05/1195316605.db2.gz IBTUIHRPKARORJ-UHFFFAOYSA-N 2 2 303.837 3.496 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCn1cc[nH+]c1 ZINC001648698060 1195323478 /nfs/dbraw/zinc/32/34/78/1195323478.db2.gz BDPFHCGWIHOUBH-OAHLLOKOSA-N 2 2 318.440 3.294 20 0 DGADLP COc1ccsc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001648772801 1195330010 /nfs/dbraw/zinc/33/00/10/1195330010.db2.gz XOLURYDYKUDBRU-UHFFFAOYSA-N 2 2 313.426 3.291 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)C(C)(C)C ZINC001649412013 1195334806 /nfs/dbraw/zinc/33/48/06/1195334806.db2.gz DCHKJAMRULKPJR-HNNXBMFYSA-N 2 2 322.884 3.444 20 0 DGADLP Cc1nc(NCC[N@@H+](C)C2CCCCC2)c2c([nH+]1)CCCC2 ZINC001650681681 1195371282 /nfs/dbraw/zinc/37/12/82/1195371282.db2.gz VQYGGDOMKQHDCW-UHFFFAOYSA-N 2 2 302.466 3.340 20 0 DGADLP Cc1nc(NCC[N@H+](C)C2CCCCC2)c2c([nH+]1)CCCC2 ZINC001650681681 1195371287 /nfs/dbraw/zinc/37/12/87/1195371287.db2.gz VQYGGDOMKQHDCW-UHFFFAOYSA-N 2 2 302.466 3.340 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC001651366289 1195449702 /nfs/dbraw/zinc/44/97/02/1195449702.db2.gz XGYLWACKPVWZNK-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC001651366289 1195449706 /nfs/dbraw/zinc/44/97/06/1195449706.db2.gz XGYLWACKPVWZNK-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1c2ccccc2oc1CC)C[NH+](C)C ZINC001651545020 1195477898 /nfs/dbraw/zinc/47/78/98/1195477898.db2.gz AHNFNIOXAINOSP-AWEZNQCLSA-N 2 2 304.434 3.052 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC001651705981 1195500673 /nfs/dbraw/zinc/50/06/73/1195500673.db2.gz FXVFCLOMWXEMIF-LLVKDONJSA-N 2 2 323.428 3.458 20 0 DGADLP C[C@H](Cc1cccs1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001651850278 1195515585 /nfs/dbraw/zinc/51/55/85/1195515585.db2.gz ADKBERININXYAA-GFCCVEGCSA-N 2 2 309.504 3.329 20 0 DGADLP C[C@H](Cc1cccs1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC001651850278 1195515590 /nfs/dbraw/zinc/51/55/90/1195515590.db2.gz ADKBERININXYAA-GFCCVEGCSA-N 2 2 309.504 3.329 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001652371845 1195588127 /nfs/dbraw/zinc/58/81/27/1195588127.db2.gz FRSHIOWRAAASMI-VDZJLULYSA-N 2 2 316.489 3.336 20 0 DGADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1COc2ccccc2C1 ZINC001652371845 1195588131 /nfs/dbraw/zinc/58/81/31/1195588131.db2.gz FRSHIOWRAAASMI-VDZJLULYSA-N 2 2 316.489 3.336 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000067694032 1195659934 /nfs/dbraw/zinc/65/99/34/1195659934.db2.gz MCSAJWMFEBSJCY-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000067694032 1195659935 /nfs/dbraw/zinc/65/99/35/1195659935.db2.gz MCSAJWMFEBSJCY-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC001652868639 1195663407 /nfs/dbraw/zinc/66/34/07/1195663407.db2.gz UUDZWFCMYZOKLH-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC001652868639 1195663408 /nfs/dbraw/zinc/66/34/08/1195663408.db2.gz UUDZWFCMYZOKLH-MISYRCLQSA-N 2 2 316.489 3.446 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001653262457 1195705328 /nfs/dbraw/zinc/70/53/28/1195705328.db2.gz BKQXOTCCLBZRNE-UHFFFAOYSA-N 2 2 316.424 3.005 20 0 DGADLP c1cn(C2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)c[nH+]1 ZINC001653507821 1195729864 /nfs/dbraw/zinc/72/98/64/1195729864.db2.gz USGAVWYLXBCMAF-KRWDZBQOSA-N 2 2 303.450 3.259 20 0 DGADLP c1cn(C2CC[NH+](CC3([C@H]4CCCCO4)CCC3)CC2)c[nH+]1 ZINC001653507822 1195730021 /nfs/dbraw/zinc/73/00/21/1195730021.db2.gz USGAVWYLXBCMAF-QGZVFWFLSA-N 2 2 303.450 3.259 20 0 DGADLP CC[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC001654218310 1195785493 /nfs/dbraw/zinc/78/54/93/1195785493.db2.gz KUMAOXBXVZCTNQ-MOPGFXCFSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC001654218310 1195785496 /nfs/dbraw/zinc/78/54/96/1195785496.db2.gz KUMAOXBXVZCTNQ-MOPGFXCFSA-N 2 2 315.505 3.319 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000069747638 1195817135 /nfs/dbraw/zinc/81/71/35/1195817135.db2.gz MQWNHEMVPNYXCR-UHFFFAOYSA-N 2 2 316.470 3.179 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1Br ZINC000070181551 1195850803 /nfs/dbraw/zinc/85/08/03/1195850803.db2.gz MVPZEARDDWWUKK-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1Br ZINC000070181551 1195850804 /nfs/dbraw/zinc/85/08/04/1195850804.db2.gz MVPZEARDDWWUKK-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC001655123806 1195880330 /nfs/dbraw/zinc/88/03/30/1195880330.db2.gz UUWMBFZBWAMCRL-HNNXBMFYSA-N 2 2 305.466 3.193 20 0 DGADLP CCc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001655202926 1195890571 /nfs/dbraw/zinc/89/05/71/1195890571.db2.gz QPOOCGRZHGZUQV-SFHVURJKSA-N 2 2 324.472 3.312 20 0 DGADLP CCc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001655202926 1195890575 /nfs/dbraw/zinc/89/05/75/1195890575.db2.gz QPOOCGRZHGZUQV-SFHVURJKSA-N 2 2 324.472 3.312 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001655302376 1195900971 /nfs/dbraw/zinc/90/09/71/1195900971.db2.gz WXBJKHPLTOFKSN-BETUJISGSA-N 2 2 312.889 3.083 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001655302376 1195900975 /nfs/dbraw/zinc/90/09/75/1195900975.db2.gz WXBJKHPLTOFKSN-BETUJISGSA-N 2 2 312.889 3.083 20 0 DGADLP C[C@]12C[NH+](CCOC3CC3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001655339009 1195905601 /nfs/dbraw/zinc/90/56/01/1195905601.db2.gz WOSHYGWIHWDKQR-WOJBJXKFSA-N 2 2 314.473 3.009 20 0 DGADLP Clc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC001655430859 1195916284 /nfs/dbraw/zinc/91/62/84/1195916284.db2.gz HFZUFVAXYDKCSM-INIZCTEOSA-N 2 2 312.804 3.463 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC001655606235 1195939109 /nfs/dbraw/zinc/93/91/09/1195939109.db2.gz JSUSQZMVVMGZLO-CYBMUJFWSA-N 2 2 300.878 3.012 20 0 DGADLP C[Si](C)(C)C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001655704661 1195952062 /nfs/dbraw/zinc/95/20/62/1195952062.db2.gz MQNWIXBQZCBYEK-UHFFFAOYSA-N 2 2 320.553 3.088 20 0 DGADLP C[Si](C)(C)C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001655704661 1195952067 /nfs/dbraw/zinc/95/20/67/1195952067.db2.gz MQNWIXBQZCBYEK-UHFFFAOYSA-N 2 2 320.553 3.088 20 0 DGADLP C[Si](C)(C)C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001655704661 1195952072 /nfs/dbraw/zinc/95/20/72/1195952072.db2.gz MQNWIXBQZCBYEK-UHFFFAOYSA-N 2 2 320.553 3.088 20 0 DGADLP C[Si](C)(C)C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001655704661 1195952076 /nfs/dbraw/zinc/95/20/76/1195952076.db2.gz MQNWIXBQZCBYEK-UHFFFAOYSA-N 2 2 320.553 3.088 20 0 DGADLP Cc1cn(C)nc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001655978309 1195984580 /nfs/dbraw/zinc/98/45/80/1195984580.db2.gz OSQXILSLTFEOCY-UHFFFAOYSA-N 2 2 312.461 3.004 20 0 DGADLP COCc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001656027588 1195989465 /nfs/dbraw/zinc/98/94/65/1195989465.db2.gz XAUCBQVXIQJCFG-UHFFFAOYSA-N 2 2 321.424 3.368 20 0 DGADLP CC1(C)CC2(CO1)CCC([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC001656170786 1196013552 /nfs/dbraw/zinc/01/35/52/1196013552.db2.gz IZVVAEJJMCWSSC-UHFFFAOYSA-N 2 2 305.466 3.381 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656389804 1196034776 /nfs/dbraw/zinc/03/47/76/1196034776.db2.gz NWSXXNFIHFTURQ-ZDUSSCGKSA-N 2 2 313.426 3.360 20 0 DGADLP COc1ccsc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC001656672873 1196061079 /nfs/dbraw/zinc/06/10/79/1196061079.db2.gz KCXNPQFYTSTAAF-UHFFFAOYSA-N 2 2 304.459 3.368 20 0 DGADLP COc1ccsc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC001656672873 1196061080 /nfs/dbraw/zinc/06/10/80/1196061080.db2.gz KCXNPQFYTSTAAF-UHFFFAOYSA-N 2 2 304.459 3.368 20 0 DGADLP CCCc1cccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001656692136 1196062432 /nfs/dbraw/zinc/06/24/32/1196062432.db2.gz OCZAKSQJNRUGQV-IAGOWNOFSA-N 2 2 304.478 3.228 20 0 DGADLP FC(F)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC001656963180 1196088041 /nfs/dbraw/zinc/08/80/41/1196088041.db2.gz WHHUWUAYXAAHLK-UHFFFAOYSA-N 2 2 314.339 3.495 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081495 1196102430 /nfs/dbraw/zinc/10/24/30/1196102430.db2.gz CLXWNEIQJBPIIJ-RTBURBONSA-N 2 2 315.505 3.113 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001657081495 1196102434 /nfs/dbraw/zinc/10/24/34/1196102434.db2.gz CLXWNEIQJBPIIJ-RTBURBONSA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@@H]1CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081495 1196102436 /nfs/dbraw/zinc/10/24/36/1196102436.db2.gz CLXWNEIQJBPIIJ-RTBURBONSA-N 2 2 315.505 3.113 20 0 DGADLP C[NH+]1CCCC[C@@H]1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001657081495 1196102440 /nfs/dbraw/zinc/10/24/40/1196102440.db2.gz CLXWNEIQJBPIIJ-RTBURBONSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001657148397 1196111468 /nfs/dbraw/zinc/11/14/68/1196111468.db2.gz FMRLCRGLLATELD-OWCLPIDISA-N 2 2 312.461 3.047 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001657148397 1196111471 /nfs/dbraw/zinc/11/14/71/1196111471.db2.gz FMRLCRGLLATELD-OWCLPIDISA-N 2 2 312.461 3.047 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001657610703 1196159657 /nfs/dbraw/zinc/15/96/57/1196159657.db2.gz MKAKOWAAUFIULG-AWEZNQCLSA-N 2 2 312.889 3.014 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001657610703 1196159659 /nfs/dbraw/zinc/15/96/59/1196159659.db2.gz MKAKOWAAUFIULG-AWEZNQCLSA-N 2 2 312.889 3.014 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001657665260 1196167186 /nfs/dbraw/zinc/16/71/86/1196167186.db2.gz BBTIPABHPKNWME-INIZCTEOSA-N 2 2 302.462 3.363 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001657665260 1196167190 /nfs/dbraw/zinc/16/71/90/1196167190.db2.gz BBTIPABHPKNWME-INIZCTEOSA-N 2 2 302.462 3.363 20 0 DGADLP C[C@H]([NH2+]Cc1cnc2ccccn12)c1ccc(-n2cc[nH+]c2)cc1 ZINC001657727783 1196173393 /nfs/dbraw/zinc/17/33/93/1196173393.db2.gz DPWBFNMTWVJPNE-HNNXBMFYSA-N 2 2 317.396 3.371 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCCOC(F)F)C[N@@H+]1Cc1ccccc1 ZINC001657894569 1196191437 /nfs/dbraw/zinc/19/14/37/1196191437.db2.gz XOQLMOHNTRWMMZ-GOEBONIOSA-N 2 2 312.404 3.258 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]CCCOC(F)F)C[N@H+]1Cc1ccccc1 ZINC001657894569 1196191441 /nfs/dbraw/zinc/19/14/41/1196191441.db2.gz XOQLMOHNTRWMMZ-GOEBONIOSA-N 2 2 312.404 3.258 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001658012682 1196201343 /nfs/dbraw/zinc/20/13/43/1196201343.db2.gz UKOOLYGLZIPUNE-HXUWFJFHSA-N 2 2 316.489 3.281 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001658012682 1196201346 /nfs/dbraw/zinc/20/13/46/1196201346.db2.gz UKOOLYGLZIPUNE-HXUWFJFHSA-N 2 2 316.489 3.281 20 0 DGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(O)c(F)c2F)CC1 ZINC001658460171 1196258500 /nfs/dbraw/zinc/25/85/00/1196258500.db2.gz BVYOSCLJPWBTRW-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(O)c(F)c2F)CC1 ZINC001658460171 1196258508 /nfs/dbraw/zinc/25/85/08/1196258508.db2.gz BVYOSCLJPWBTRW-UHFFFAOYSA-N 2 2 312.404 3.223 20 0 DGADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc2cc[nH]c2c1 ZINC001658772411 1196298928 /nfs/dbraw/zinc/29/89/28/1196298928.db2.gz RCGMSBNTJVXMRA-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc2cc[nH]c2c1 ZINC001658772411 1196298934 /nfs/dbraw/zinc/29/89/34/1196298934.db2.gz RCGMSBNTJVXMRA-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc2c1OCCCO2 ZINC001658785940 1196300707 /nfs/dbraw/zinc/30/07/07/1196300707.db2.gz FFFWOXPGILBJHH-OAHLLOKOSA-N 2 2 306.450 3.058 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC001658931271 1196320926 /nfs/dbraw/zinc/32/09/26/1196320926.db2.gz BZSHSCWFRSKRKX-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC001658931271 1196320928 /nfs/dbraw/zinc/32/09/28/1196320928.db2.gz BZSHSCWFRSKRKX-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001659109971 1196345063 /nfs/dbraw/zinc/34/50/63/1196345063.db2.gz DIFMKHYKYWTJKB-LLVKDONJSA-N 2 2 302.249 3.208 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cncc(Cl)c2Cl)C1 ZINC001659109971 1196345071 /nfs/dbraw/zinc/34/50/71/1196345071.db2.gz DIFMKHYKYWTJKB-LLVKDONJSA-N 2 2 302.249 3.208 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC)c(O)cc1Cl ZINC001659131952 1196349909 /nfs/dbraw/zinc/34/99/09/1196349909.db2.gz RKWLOFQTJUBUSR-GFCCVEGCSA-N 2 2 314.857 3.264 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000075784194 1196421411 /nfs/dbraw/zinc/42/14/11/1196421411.db2.gz RHRKBOQUNOEMGY-INIZCTEOSA-N 2 2 322.412 3.035 20 0 DGADLP Oc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001659901592 1196426851 /nfs/dbraw/zinc/42/68/51/1196426851.db2.gz AICUFFRCABIACQ-QGZVFWFLSA-N 2 2 311.360 3.259 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2sccc2Br)C1 ZINC001659915246 1196428513 /nfs/dbraw/zinc/42/85/13/1196428513.db2.gz MWRSBHFATQPHQY-NSHDSACASA-N 2 2 317.296 3.127 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2sccc2Br)C1 ZINC001659915246 1196428522 /nfs/dbraw/zinc/42/85/22/1196428522.db2.gz MWRSBHFATQPHQY-NSHDSACASA-N 2 2 317.296 3.127 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004380 1196437298 /nfs/dbraw/zinc/43/72/98/1196437298.db2.gz WZDXOMYSQYYTHK-ZHALLVOQSA-N 2 2 308.510 3.436 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC001660004380 1196437302 /nfs/dbraw/zinc/43/73/02/1196437302.db2.gz WZDXOMYSQYYTHK-ZHALLVOQSA-N 2 2 308.510 3.436 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001660046996 1196440444 /nfs/dbraw/zinc/44/04/44/1196440444.db2.gz DHBQCOKNFUCRFR-AQEOSJORSA-N 2 2 309.542 3.205 20 0 DGADLP CCC(C)(C)C1CCC([NH2+][C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001660046996 1196440447 /nfs/dbraw/zinc/44/04/47/1196440447.db2.gz DHBQCOKNFUCRFR-AQEOSJORSA-N 2 2 309.542 3.205 20 0 DGADLP COc1cccc(C2CC([NH2+][C@H]3CC[N@@H+](C(C)(C)C)C3)C2)c1 ZINC001660263600 1196463456 /nfs/dbraw/zinc/46/34/56/1196463456.db2.gz RAZYNEYXCAJNGI-CGZBRXJRSA-N 2 2 302.462 3.404 20 0 DGADLP COc1cccc(C2CC([NH2+][C@H]3CC[N@H+](C(C)(C)C)C3)C2)c1 ZINC001660263600 1196463457 /nfs/dbraw/zinc/46/34/57/1196463457.db2.gz RAZYNEYXCAJNGI-CGZBRXJRSA-N 2 2 302.462 3.404 20 0 DGADLP COc1ccccc1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001660752229 1196518825 /nfs/dbraw/zinc/51/88/25/1196518825.db2.gz HUSLAWCCAYNIIO-UHFFFAOYSA-N 2 2 313.426 3.275 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001660850605 1196535258 /nfs/dbraw/zinc/53/52/58/1196535258.db2.gz WBOAWIVXTQTHRL-UHFFFAOYSA-N 2 2 314.376 3.028 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001660850605 1196535262 /nfs/dbraw/zinc/53/52/62/1196535262.db2.gz WBOAWIVXTQTHRL-UHFFFAOYSA-N 2 2 314.376 3.028 20 0 DGADLP CCC1(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCOCC1 ZINC001660880076 1196538413 /nfs/dbraw/zinc/53/84/13/1196538413.db2.gz SOZWMTGBKUUFTH-UHFFFAOYSA-N 2 2 313.445 3.228 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878019 1196538498 /nfs/dbraw/zinc/53/84/98/1196538498.db2.gz NGYXGTSJUILJEX-CVEARBPZSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001660878019 1196538506 /nfs/dbraw/zinc/53/85/06/1196538506.db2.gz NGYXGTSJUILJEX-CVEARBPZSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001660918591 1196542509 /nfs/dbraw/zinc/54/25/09/1196542509.db2.gz DUEYUZCCBMHOEK-UHFFFAOYSA-N 2 2 321.428 3.051 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C)c2Br)C1 ZINC001660968865 1196548064 /nfs/dbraw/zinc/54/80/64/1196548064.db2.gz WAHYRSYNKFOHBA-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C)c2Br)C1 ZINC001660968865 1196548066 /nfs/dbraw/zinc/54/80/66/1196548066.db2.gz WAHYRSYNKFOHBA-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP C[C@H](COc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001661164373 1196574881 /nfs/dbraw/zinc/57/48/81/1196574881.db2.gz DPSKUZWZFBZNKP-CQSZACIVSA-N 2 2 313.426 3.491 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c(C)[nH+]1 ZINC001662413354 1196719270 /nfs/dbraw/zinc/71/92/70/1196719270.db2.gz GCWBFEXLNATPBE-UHFFFAOYSA-N 2 2 318.465 3.391 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(F)c1OC(F)(F)F)C[NH+](C)C ZINC001662540213 1196728946 /nfs/dbraw/zinc/72/89/46/1196728946.db2.gz KXEUZQFTRRANBV-SNVBAGLBSA-N 2 2 308.319 3.012 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479504 1197003685 /nfs/dbraw/zinc/00/36/85/1197003685.db2.gz KUAAJOSCKYFQCT-DLBZAZTESA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479504 1197003691 /nfs/dbraw/zinc/00/36/91/1197003691.db2.gz KUAAJOSCKYFQCT-DLBZAZTESA-N 2 2 308.510 3.436 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(C)[nH+]1 ZINC001672530727 1197615250 /nfs/dbraw/zinc/61/52/50/1197615250.db2.gz ZIYPMSAVLYLBAR-MRXNPFEDSA-N 2 2 316.449 3.145 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(C)[nH+]1 ZINC001672530727 1197615251 /nfs/dbraw/zinc/61/52/51/1197615251.db2.gz ZIYPMSAVLYLBAR-MRXNPFEDSA-N 2 2 316.449 3.145 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)co2)cc1 ZINC000324007048 1197692890 /nfs/dbraw/zinc/69/28/90/1197692890.db2.gz NFBSHKLNWUIIPS-VQIMIIECSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)co2)cc1 ZINC000324007048 1197692894 /nfs/dbraw/zinc/69/28/94/1197692894.db2.gz NFBSHKLNWUIIPS-VQIMIIECSA-N 2 2 311.429 3.211 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386802373 1197707711 /nfs/dbraw/zinc/70/77/11/1197707711.db2.gz BXSLSOMRBYPXFU-WBVHZDCISA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386802373 1197707714 /nfs/dbraw/zinc/70/77/14/1197707714.db2.gz BXSLSOMRBYPXFU-WBVHZDCISA-N 2 2 304.503 3.382 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000394712327 1197721719 /nfs/dbraw/zinc/72/17/19/1197721719.db2.gz QWZNAKRUCFCMHN-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000394712327 1197721721 /nfs/dbraw/zinc/72/17/21/1197721721.db2.gz QWZNAKRUCFCMHN-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674686645 1197833698 /nfs/dbraw/zinc/83/36/98/1197833698.db2.gz HCJIAKFCOCMEAE-QAMKJQMISA-N 2 2 314.433 3.016 20 0 DGADLP CCC[N@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000091472091 1198420449 /nfs/dbraw/zinc/42/04/49/1198420449.db2.gz NYKZJOBOCVQTFG-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000091472091 1198420456 /nfs/dbraw/zinc/42/04/56/1198420456.db2.gz NYKZJOBOCVQTFG-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276342 1199591103 /nfs/dbraw/zinc/59/11/03/1199591103.db2.gz DXQSWYGCFPZVMZ-VQIMIIECSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276342 1199591106 /nfs/dbraw/zinc/59/11/06/1199591106.db2.gz DXQSWYGCFPZVMZ-VQIMIIECSA-N 2 2 310.441 3.435 20 0 DGADLP [NH3+]CC[N@H+](Cc1ccccc1)C1CCN(c2ccccc2)CC1 ZINC000303741199 1199599844 /nfs/dbraw/zinc/59/98/44/1199599844.db2.gz JERKVWRIXHQVCI-UHFFFAOYSA-N 2 2 309.457 3.116 20 0 DGADLP [NH3+]CC[N@@H+](Cc1ccccc1)C1CCN(c2ccccc2)CC1 ZINC000303741199 1199599848 /nfs/dbraw/zinc/59/98/48/1199599848.db2.gz JERKVWRIXHQVCI-UHFFFAOYSA-N 2 2 309.457 3.116 20 0 DGADLP CC[N@H+](Cc1cc(Br)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC000313676961 1199772975 /nfs/dbraw/zinc/77/29/75/1199772975.db2.gz JGKTVGAHAMEVIM-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1cc(Br)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC000313676961 1199772978 /nfs/dbraw/zinc/77/29/78/1199772978.db2.gz JGKTVGAHAMEVIM-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001754150618 1200115394 /nfs/dbraw/zinc/11/53/94/1200115394.db2.gz GOSOKZXNGSLXMH-BQYQJAHWSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCCC2CCC2)c(C)[nH+]1 ZINC001754235862 1200145081 /nfs/dbraw/zinc/14/50/81/1200145081.db2.gz QLWPEJMTDJPDKP-OAHLLOKOSA-N 2 2 317.477 3.295 20 0 DGADLP C[C@H](C[NH2+]Cc1c(Cl)nc2ccccn21)C[NH+]1CCCCC1 ZINC000123676600 1200287751 /nfs/dbraw/zinc/28/77/51/1200287751.db2.gz SNQRQUQMNFVAMY-CQSZACIVSA-N 2 2 320.868 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](CC(C)C)C2CC2)c(C)[nH+]1 ZINC001689999118 1200364222 /nfs/dbraw/zinc/36/42/22/1200364222.db2.gz JRHXRIVXEGMDJD-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](CC(C)C)C2CC2)c(C)[nH+]1 ZINC001689999118 1200364226 /nfs/dbraw/zinc/36/42/26/1200364226.db2.gz JRHXRIVXEGMDJD-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000125449561 1200397218 /nfs/dbraw/zinc/39/72/18/1200397218.db2.gz IYAGHJYQGKGDDK-INIZCTEOSA-N 2 2 319.468 3.247 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000125449561 1200397222 /nfs/dbraw/zinc/39/72/22/1200397222.db2.gz IYAGHJYQGKGDDK-INIZCTEOSA-N 2 2 319.468 3.247 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000131191576 1201135236 /nfs/dbraw/zinc/13/52/36/1201135236.db2.gz KBVIEKUPLCOHKP-HNNXBMFYSA-N 2 2 311.429 3.102 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001698839622 1201492806 /nfs/dbraw/zinc/49/28/06/1201492806.db2.gz QTRWISJYSSWGNP-HNNXBMFYSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CC2CCC2)C(C)C)c(C)[nH+]1 ZINC001698968484 1201622380 /nfs/dbraw/zinc/62/23/80/1201622380.db2.gz XJLXSQSQPMIVSJ-QGZVFWFLSA-N 2 2 317.477 3.151 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000152108667 1202593791 /nfs/dbraw/zinc/59/37/91/1202593791.db2.gz CXPTZCUXARDRJE-UHFFFAOYSA-N 2 2 315.383 3.310 20 0 DGADLP C[C@H](C[NH2+]Cc1nc2c(s1)C[C@H](C)CC2)C[NH+]1CCCC1 ZINC000152195865 1202594053 /nfs/dbraw/zinc/59/40/53/1202594053.db2.gz NGOXVFBPSYMJMQ-ZIAGYGMSSA-N 2 2 307.507 3.089 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152311444 1202594138 /nfs/dbraw/zinc/59/41/38/1202594138.db2.gz HZDOUKHCJNEZLD-ZIAGYGMSSA-N 2 2 307.507 3.089 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000152311444 1202594139 /nfs/dbraw/zinc/59/41/39/1202594139.db2.gz HZDOUKHCJNEZLD-ZIAGYGMSSA-N 2 2 307.507 3.089 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000156424784 1202600546 /nfs/dbraw/zinc/60/05/46/1202600546.db2.gz NAJSFOUHCQLLHJ-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000236643957 1202616293 /nfs/dbraw/zinc/61/62/93/1202616293.db2.gz ULOKEVBBZQHGEB-UHFFFAOYSA-N 2 2 320.868 3.340 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000236795719 1202625403 /nfs/dbraw/zinc/62/54/03/1202625403.db2.gz JEJJMKQKWHHYCK-IBGZPJMESA-N 2 2 312.457 3.286 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000236795719 1202625404 /nfs/dbraw/zinc/62/54/04/1202625404.db2.gz JEJJMKQKWHHYCK-IBGZPJMESA-N 2 2 312.457 3.286 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](CC[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001714218490 1202836909 /nfs/dbraw/zinc/83/69/09/1202836909.db2.gz LWEXJDBXFOFMOV-QGZVFWFLSA-N 2 2 317.477 3.247 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714697196 1203103431 /nfs/dbraw/zinc/10/34/31/1203103431.db2.gz ACCSGAOISFYKOX-SWLSCSKDSA-N 2 2 305.466 3.103 20 0 DGADLP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715523742 1203360923 /nfs/dbraw/zinc/36/09/23/1203360923.db2.gz XIPVVPHIVCHMDD-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP CN(CC[N@@H+](C)CCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715523742 1203360925 /nfs/dbraw/zinc/36/09/25/1203360925.db2.gz XIPVVPHIVCHMDD-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763850 1203590387 /nfs/dbraw/zinc/59/03/87/1203590387.db2.gz NKEMKWOMADNREW-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763850 1203590389 /nfs/dbraw/zinc/59/03/89/1203590389.db2.gz NKEMKWOMADNREW-PWSUYJOCSA-N 2 2 304.331 3.404 20 0 DGADLP CCCC[C@H](C[NH2+]CC1CC1)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001725232963 1204123133 /nfs/dbraw/zinc/12/31/33/1204123133.db2.gz UYKVPXIUACNPQJ-QGZVFWFLSA-N 2 2 317.477 3.295 20 0 DGADLP CCCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001732488808 1204869274 /nfs/dbraw/zinc/86/92/74/1204869274.db2.gz ODQKWNCTLPUMAU-YOEHRIQHSA-N 2 2 317.477 3.247 20 0 DGADLP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733006723 1204979449 /nfs/dbraw/zinc/97/94/49/1204979449.db2.gz MZJFIAVRFKNIHV-KIUWMYQTSA-N 2 2 303.450 3.071 20 0 DGADLP C[NH2+]CC[C@H](C)[N@@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001247002133 1104772288 /nfs/dbraw/zinc/77/22/88/1104772288.db2.gz JZVDOAQNLWDEDM-NWDGAFQWSA-N 2 2 311.267 3.194 20 0 DGADLP C[NH2+]CC[C@H](C)[N@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001247002133 1104772296 /nfs/dbraw/zinc/77/22/96/1104772296.db2.gz JZVDOAQNLWDEDM-NWDGAFQWSA-N 2 2 311.267 3.194 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC001169494304 1081576484 /nfs/dbraw/zinc/57/64/84/1081576484.db2.gz HLTFKGBDFDCTON-FUHIMQAGSA-N 2 2 316.489 3.433 20 0 DGADLP C[NH+]1CCC([N@H+](CC2(C)CC[NH+](C)CC2)C2CCCC2)CC1 ZINC001208115700 1081606790 /nfs/dbraw/zinc/60/67/90/1081606790.db2.gz KFRMWVYYCLRTBF-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP C[NH+]1CCC([N@@H+](CC2(C)CC[NH+](C)CC2)C2CCCC2)CC1 ZINC001208115700 1081606792 /nfs/dbraw/zinc/60/67/92/1081606792.db2.gz KFRMWVYYCLRTBF-UHFFFAOYSA-N 3 2 307.526 3.057 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206771000 1081629002 /nfs/dbraw/zinc/62/90/02/1081629002.db2.gz VONIEGPDCRQEJV-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001206771000 1081629004 /nfs/dbraw/zinc/62/90/04/1081629004.db2.gz VONIEGPDCRQEJV-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c([nH+]1)NCCO2 ZINC001169689661 1081629783 /nfs/dbraw/zinc/62/97/83/1081629783.db2.gz HOGPTADDULAPKD-AWEZNQCLSA-N 2 2 310.401 3.126 20 0 DGADLP CC(C)CCC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001208734900 1081644817 /nfs/dbraw/zinc/64/48/17/1081644817.db2.gz OQGMEDMXYPRHQL-UHFFFAOYSA-N 2 2 306.498 3.320 20 0 DGADLP CCC/C=C\CC[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266301479 1081647629 /nfs/dbraw/zinc/64/76/29/1081647629.db2.gz RLRJWWYIEICALS-HJWRWDBZSA-N 2 2 317.477 3.415 20 0 DGADLP CCC/C=C\CC[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266301479 1081647633 /nfs/dbraw/zinc/64/76/33/1081647633.db2.gz RLRJWWYIEICALS-HJWRWDBZSA-N 2 2 317.477 3.415 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(COc3ccccc3)cc2)CC[NH2+]1 ZINC001210517927 1081975091 /nfs/dbraw/zinc/97/50/91/1081975091.db2.gz AQYDBJDDWNFQFC-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)CC[NH2+]1 ZINC001210517927 1081975094 /nfs/dbraw/zinc/97/50/94/1081975094.db2.gz AQYDBJDDWNFQFC-KRWDZBQOSA-N 2 2 310.441 3.449 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC001170098057 1082088547 /nfs/dbraw/zinc/08/85/47/1082088547.db2.gz KUHQTQFLEARGKJ-YJBOKZPZSA-N 2 2 302.462 3.438 20 0 DGADLP CC(C)CCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000075784227 1082100211 /nfs/dbraw/zinc/10/02/11/1082100211.db2.gz JVHKXYDWILRKAO-INIZCTEOSA-N 2 2 301.434 3.486 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC001170188963 1082308277 /nfs/dbraw/zinc/30/82/77/1082308277.db2.gz AGNWIVMNNSWMFN-FHWLQOOXSA-N 2 2 302.462 3.198 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC001170188963 1082308285 /nfs/dbraw/zinc/30/82/85/1082308285.db2.gz AGNWIVMNNSWMFN-FHWLQOOXSA-N 2 2 302.462 3.198 20 0 DGADLP C[NH+]1CC(CNc2[nH+]ccc3cc(-c4ccc(F)cc4)[nH]c32)C1 ZINC001170253261 1082334987 /nfs/dbraw/zinc/33/49/87/1082334987.db2.gz VXGFSNIWNALGQM-UHFFFAOYSA-N 2 2 310.376 3.343 20 0 DGADLP COCC[N@H+]([C@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170284433 1082341866 /nfs/dbraw/zinc/34/18/66/1082341866.db2.gz NFGWLPDMCVXTBV-OAHLLOKOSA-N 2 2 324.896 3.314 20 0 DGADLP COCC[N@@H+]([C@H](C)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001170284433 1082341873 /nfs/dbraw/zinc/34/18/73/1082341873.db2.gz NFGWLPDMCVXTBV-OAHLLOKOSA-N 2 2 324.896 3.314 20 0 DGADLP Nc1cc(CNc2ccc(F)c(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC001167618239 1082612019 /nfs/dbraw/zinc/61/20/19/1082612019.db2.gz GENAFFMXHOLJGK-UHFFFAOYSA-N 2 2 300.381 3.011 20 0 DGADLP CC[NH+](CC)Cc1cc(OC)ccc1NCc1cc[nH+]c(N)c1 ZINC001167618090 1082612077 /nfs/dbraw/zinc/61/20/77/1082612077.db2.gz DKZAYVRTTJBJQE-UHFFFAOYSA-N 2 2 314.433 3.126 20 0 DGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659670 1083057900 /nfs/dbraw/zinc/05/79/00/1083057900.db2.gz RCCLTTFJWXDIPO-QGZVFWFLSA-N 2 2 316.395 3.283 20 0 DGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170659670 1083057904 /nfs/dbraw/zinc/05/79/04/1083057904.db2.gz RCCLTTFJWXDIPO-QGZVFWFLSA-N 2 2 316.395 3.283 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC001180954060 1083376425 /nfs/dbraw/zinc/37/64/25/1083376425.db2.gz TXHXTKUTPPUEMQ-HNNXBMFYSA-N 2 2 312.498 3.208 20 0 DGADLP COCC1(CC[NH2+][C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001182533406 1083748615 /nfs/dbraw/zinc/74/86/15/1083748615.db2.gz PJSDZPQBMOWOAJ-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001182533406 1083748624 /nfs/dbraw/zinc/74/86/24/1083748624.db2.gz PJSDZPQBMOWOAJ-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP COc1cccc(OC)c1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001184374494 1084166936 /nfs/dbraw/zinc/16/69/36/1084166936.db2.gz NQOVYOVDILQIHR-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP COc1cccc(OC)c1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001184374494 1084166940 /nfs/dbraw/zinc/16/69/40/1084166940.db2.gz NQOVYOVDILQIHR-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC001184418600 1084179338 /nfs/dbraw/zinc/17/93/38/1084179338.db2.gz QRQXCANBIWUSHL-CQSZACIVSA-N 2 2 300.450 3.148 20 0 DGADLP CCc1cc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184865420 1084282225 /nfs/dbraw/zinc/28/22/25/1084282225.db2.gz POEVHMGXTOXKPI-GASCZTMLSA-N 2 2 304.482 3.381 20 0 DGADLP CCc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184865420 1084282239 /nfs/dbraw/zinc/28/22/39/1084282239.db2.gz POEVHMGXTOXKPI-GASCZTMLSA-N 2 2 304.482 3.381 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc3sccc3nc2Cl)C[C@@H]1C[NH3+] ZINC001205319081 1084306727 /nfs/dbraw/zinc/30/67/27/1084306727.db2.gz YKIYZUWYNDHNDG-PWSUYJOCSA-N 2 2 309.866 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc3sccc3nc2Cl)C[C@@H]1C[NH3+] ZINC001205319081 1084306734 /nfs/dbraw/zinc/30/67/34/1084306734.db2.gz YKIYZUWYNDHNDG-PWSUYJOCSA-N 2 2 309.866 3.366 20 0 DGADLP Cc1cc[nH+]c(C(C)C)c1Nc1cnn(CCC[NH+](C)C)c1 ZINC001186969264 1084733102 /nfs/dbraw/zinc/73/31/02/1084733102.db2.gz WELSKMDMUVBYSQ-UHFFFAOYSA-N 2 2 301.438 3.405 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204939408 1084863265 /nfs/dbraw/zinc/86/32/65/1084863265.db2.gz RDJVIQREPDRHSV-AWEZNQCLSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204939408 1084863267 /nfs/dbraw/zinc/86/32/67/1084863267.db2.gz RDJVIQREPDRHSV-AWEZNQCLSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cnc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168005684 1086149486 /nfs/dbraw/zinc/14/94/86/1086149486.db2.gz KCWQKUGDUAALKV-IAGOWNOFSA-N 2 2 324.472 3.316 20 0 DGADLP CC(=O)C(C)(C)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008145 1086168229 /nfs/dbraw/zinc/16/82/29/1086168229.db2.gz VZBKDZIIQXCARB-GJZGRUSLSA-N 2 2 302.462 3.385 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009120 1086175822 /nfs/dbraw/zinc/17/58/22/1086175822.db2.gz GYABSUUDNWHSBR-QZTJIDSGSA-N 3 2 317.521 3.487 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009120 1086175826 /nfs/dbraw/zinc/17/58/26/1086175826.db2.gz GYABSUUDNWHSBR-QZTJIDSGSA-N 3 2 317.521 3.487 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cncnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012963 1086248505 /nfs/dbraw/zinc/24/85/05/1086248505.db2.gz GHADUZZNFHIWDL-HZPDHXFCSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H]2CO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168067926 1086713799 /nfs/dbraw/zinc/71/37/99/1086713799.db2.gz VDDYHKKBJKBLFY-QQXMDYFESA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H]2CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067926 1086713802 /nfs/dbraw/zinc/71/38/02/1086713802.db2.gz VDDYHKKBJKBLFY-QQXMDYFESA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H]2CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067926 1086713806 /nfs/dbraw/zinc/71/38/06/1086713806.db2.gz VDDYHKKBJKBLFY-QQXMDYFESA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@H]2CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067926 1086713811 /nfs/dbraw/zinc/71/38/11/1086713811.db2.gz VDDYHKKBJKBLFY-QQXMDYFESA-N 2 2 314.473 3.291 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001482856057 1087173048 /nfs/dbraw/zinc/17/30/48/1087173048.db2.gz MGUQTQCHEPYLKJ-CQSZACIVSA-N 2 2 317.477 3.295 20 0 DGADLP CCC(CC)C[NH2+]C/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001483040338 1087252714 /nfs/dbraw/zinc/25/27/14/1087252714.db2.gz RJFDZDCVFXOAMS-HJWRWDBZSA-N 2 2 317.477 3.319 20 0 DGADLP COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292252 1087284470 /nfs/dbraw/zinc/28/44/70/1087284470.db2.gz SYLIZJMRBCMEGE-IEBWSBKVSA-N 2 2 324.424 3.019 20 0 DGADLP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292252 1087284476 /nfs/dbraw/zinc/28/44/76/1087284476.db2.gz SYLIZJMRBCMEGE-IEBWSBKVSA-N 2 2 324.424 3.019 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168351567 1087304496 /nfs/dbraw/zinc/30/44/96/1087304496.db2.gz VAYQYRLZDMGDLI-QGZVFWFLSA-N 2 2 304.409 3.113 20 0 DGADLP C[C@H](CC[NH2+]Cc1ccc(Br)cc1F)[NH+](C)C ZINC000697854560 1087344763 /nfs/dbraw/zinc/34/47/63/1087344763.db2.gz ZEPOLIXMYYYZRL-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001483250550 1087449887 /nfs/dbraw/zinc/44/98/87/1087449887.db2.gz LKTCFONKJVRFBH-CJNGLKHVSA-N 2 2 319.493 3.397 20 0 DGADLP CC1(C)OCCC12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168394593 1087551465 /nfs/dbraw/zinc/55/14/65/1087551465.db2.gz CZMDYFWPCQXROM-UHFFFAOYSA-N 2 2 306.494 3.142 20 0 DGADLP CCN(CC)c1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]cn1 ZINC001158268557 1087751656 /nfs/dbraw/zinc/75/16/56/1087751656.db2.gz ZXTVSNPSYIOPCA-KBXCAEBGSA-N 2 2 319.497 3.278 20 0 DGADLP CCN(CC)c1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc[nH+]1 ZINC001158268557 1087751665 /nfs/dbraw/zinc/75/16/65/1087751665.db2.gz ZXTVSNPSYIOPCA-KBXCAEBGSA-N 2 2 319.497 3.278 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031292 1088161410 /nfs/dbraw/zinc/16/14/10/1088161410.db2.gz FMDIGBSTMXWRKG-MRXNPFEDSA-N 2 2 323.278 3.197 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031292 1088161419 /nfs/dbraw/zinc/16/14/19/1088161419.db2.gz FMDIGBSTMXWRKG-MRXNPFEDSA-N 2 2 323.278 3.197 20 0 DGADLP c1c[nH+]c(Nc2cccc(CN3CC[NH2+]CC3)c2)c(C2CC2)c1 ZINC001159365541 1088319992 /nfs/dbraw/zinc/31/99/92/1088319992.db2.gz HYDYPAMBWNIXFP-UHFFFAOYSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1cccc(Br)c1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235960495 1088491828 /nfs/dbraw/zinc/49/18/28/1088491828.db2.gz XRYOXZWDDRRMCB-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235960495 1088491830 /nfs/dbraw/zinc/49/18/30/1088491830.db2.gz XRYOXZWDDRRMCB-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cc(C)c(N(CC2CC[NH2+]CC2)c2ccccc2N)c[nH+]1 ZINC001159896268 1088537562 /nfs/dbraw/zinc/53/75/62/1088537562.db2.gz STBKJSAMPUDWBE-UHFFFAOYSA-N 2 2 310.445 3.418 20 0 DGADLP CCc1nc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)cc(C)[nH+]1 ZINC001159948383 1088564626 /nfs/dbraw/zinc/56/46/26/1088564626.db2.gz JEUIVELACMTXGU-ZDUSSCGKSA-N 2 2 306.413 3.107 20 0 DGADLP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403973 1088596474 /nfs/dbraw/zinc/59/64/74/1088596474.db2.gz RBYFAKDUJQWFAI-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403973 1088596488 /nfs/dbraw/zinc/59/64/88/1088596488.db2.gz RBYFAKDUJQWFAI-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)c[nH+]1 ZINC001160115993 1088645711 /nfs/dbraw/zinc/64/57/11/1088645711.db2.gz AEUQTTPFFCFMNG-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2NC[C@@H]1CCCC[NH2+]1 ZINC001160150980 1088670894 /nfs/dbraw/zinc/67/08/94/1088670894.db2.gz PRLKGUXBPCNIPR-INIZCTEOSA-N 2 2 310.445 3.389 20 0 DGADLP CN(C)c1ccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC001160232500 1088712574 /nfs/dbraw/zinc/71/25/74/1088712574.db2.gz CVVQCICFMXJVMC-OAHLLOKOSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1cc(Nc2ccccc2CN2CC[NH2+]CC2)ccc1[NH+](C)C ZINC001160296961 1088745743 /nfs/dbraw/zinc/74/57/43/1088745743.db2.gz OQRHQEAKDMEBFX-UHFFFAOYSA-N 2 2 324.472 3.210 20 0 DGADLP [NH3+][C@H]1CCC[C@H](Nc2[nH+]cccc2OCc2ccc(F)cc2)C1 ZINC001154990937 1088880247 /nfs/dbraw/zinc/88/02/47/1088880247.db2.gz ZEQYKVXMMKDCTL-HOTGVXAUSA-N 2 2 315.392 3.482 20 0 DGADLP C[C@H]1CCCC[C@@H]1CNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001155077045 1088931757 /nfs/dbraw/zinc/93/17/57/1088931757.db2.gz KNCCDKLIKCSUOJ-JKSUJKDBSA-N 2 2 302.466 3.072 20 0 DGADLP CCSc1cc[nH+]c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160743247 1088938845 /nfs/dbraw/zinc/93/88/45/1088938845.db2.gz MNAJLYXAZSLXNJ-WDEREUQCSA-N 2 2 305.369 3.146 20 0 DGADLP Cc1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc(C(C)(C)C)[nH+]1 ZINC001160743549 1088939006 /nfs/dbraw/zinc/93/90/06/1088939006.db2.gz NJPMHJTVZROMLZ-QWRGUYRKSA-N 2 2 316.371 3.035 20 0 DGADLP Cc1nc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001155092016 1088938960 /nfs/dbraw/zinc/93/89/60/1088938960.db2.gz OZNSUQAWKFSMLM-LJQANCHMSA-N 2 2 322.456 3.328 20 0 DGADLP Cc1nc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001155092016 1088938973 /nfs/dbraw/zinc/93/89/73/1088938973.db2.gz OZNSUQAWKFSMLM-LJQANCHMSA-N 2 2 322.456 3.328 20 0 DGADLP C[C@@H]1C[C@@H](CNc2[nH+]cnc3[nH]c4ccc(Cl)cc4c32)C[NH2+]1 ZINC001155102073 1088946369 /nfs/dbraw/zinc/94/63/69/1088946369.db2.gz SAWWHMDGYIPZAR-NXEZZACHSA-N 2 2 315.808 3.174 20 0 DGADLP COc1ccc2[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)c(C)cc2c1 ZINC001155115281 1088956753 /nfs/dbraw/zinc/95/67/53/1088956753.db2.gz NMPYFIQJBCOHEQ-SFHVURJKSA-N 2 2 317.408 3.446 20 0 DGADLP [NH3+]Cc1ccccc1CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001160911682 1089015403 /nfs/dbraw/zinc/01/54/03/1089015403.db2.gz ACTMTLRWUDGOHW-UHFFFAOYSA-N 2 2 321.359 3.321 20 0 DGADLP CCSc1cc[nH+]c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001155461685 1089123374 /nfs/dbraw/zinc/12/33/74/1089123374.db2.gz GONGYRYJMNBCJE-AWEZNQCLSA-N 2 2 316.474 3.217 20 0 DGADLP Cc1cc(C)[nH+]c(NC2CC[NH+](CC(=O)c3ccccc3)CC2)c1 ZINC001161144836 1089132624 /nfs/dbraw/zinc/13/26/24/1089132624.db2.gz UUCYANDKKKWCIW-UHFFFAOYSA-N 2 2 323.440 3.458 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC001161924482 1089473559 /nfs/dbraw/zinc/47/35/59/1089473559.db2.gz UULAZJPVMNJBFA-QGZVFWFLSA-N 2 2 322.456 3.350 20 0 DGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC001161924482 1089473569 /nfs/dbraw/zinc/47/35/69/1089473569.db2.gz UULAZJPVMNJBFA-QGZVFWFLSA-N 2 2 322.456 3.350 20 0 DGADLP Cc1cc(N2CCC3(CC2)CC[NH+](C)CC3)nc(C(C)C)[nH+]1 ZINC001156574607 1089589522 /nfs/dbraw/zinc/58/95/22/1089589522.db2.gz BCAQRDZNHQHPQL-UHFFFAOYSA-N 2 2 302.466 3.221 20 0 DGADLP CSCc1cc[nH+]c(N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001156581946 1089595247 /nfs/dbraw/zinc/59/52/47/1089595247.db2.gz CTKQIKFLXWPGKP-UHFFFAOYSA-N 2 2 305.491 3.257 20 0 DGADLP CC(C)[PH+](CCNC(=O)c1ccc2[nH+]c(N)[nH]c2c1)C(C)C ZINC001156977039 1089772301 /nfs/dbraw/zinc/77/23/01/1089772301.db2.gz KUPBVYWFWKEMIL-UHFFFAOYSA-N 2 2 320.377 3.174 20 0 DGADLP CN(C)c1cc(Cl)[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162795644 1089959582 /nfs/dbraw/zinc/95/95/82/1089959582.db2.gz PEOLQFSTWCSNBS-UHFFFAOYSA-N 2 2 316.836 3.059 20 0 DGADLP Cc1cc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC001157433783 1089966438 /nfs/dbraw/zinc/96/64/38/1089966438.db2.gz NIDVCVZVTKVUAO-GOSISDBHSA-N 2 2 322.456 3.421 20 0 DGADLP CCc1cc(NCC[N@@H+](CC)CCC(F)(F)F)nc(CC)[nH+]1 ZINC001163037561 1090058659 /nfs/dbraw/zinc/05/86/59/1090058659.db2.gz WEZFMMQSDNFEMB-UHFFFAOYSA-N 2 2 318.387 3.288 20 0 DGADLP CCc1cc(NCC[N@H+](CC)CCC(F)(F)F)nc(CC)[nH+]1 ZINC001163037561 1090058669 /nfs/dbraw/zinc/05/86/69/1090058669.db2.gz WEZFMMQSDNFEMB-UHFFFAOYSA-N 2 2 318.387 3.288 20 0 DGADLP Cc1c[nH+]ccc1N1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001158105479 1090184579 /nfs/dbraw/zinc/18/45/79/1090184579.db2.gz XJRBZMCQHDFOQA-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP Cc1nc(N2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC001164008170 1090316264 /nfs/dbraw/zinc/31/62/64/1090316264.db2.gz JUPSMEJFLNDVIS-MRXNPFEDSA-N 2 2 310.445 3.285 20 0 DGADLP CSc1cc[nH+]c(N2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001164442799 1090423546 /nfs/dbraw/zinc/42/35/46/1090423546.db2.gz ICYGDZVTHXXHMS-UHFFFAOYSA-N 2 2 313.470 3.300 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1 ZINC001165123169 1090467885 /nfs/dbraw/zinc/46/78/85/1090467885.db2.gz KLCVTVNRDBAJJR-UHFFFAOYSA-N 2 2 323.440 3.191 20 0 DGADLP Cc1c(F)cc[nH+]c1N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001165266365 1090493137 /nfs/dbraw/zinc/49/31/37/1090493137.db2.gz LRTMRDOWCZJULM-ZDUSSCGKSA-N 2 2 317.330 3.040 20 0 DGADLP Cc1[nH+]c2c(n1-c1cc(C)c3ccc(C)c(C)c3n1)CC[NH2+]CC2 ZINC001165354757 1090510385 /nfs/dbraw/zinc/51/03/85/1090510385.db2.gz JMEBVTXPMHORDG-UHFFFAOYSA-N 2 2 320.440 3.342 20 0 DGADLP Cc1[nH+]c2c(n1-c1ccc3cccc(Cl)c3n1)CC[NH2+]CC2 ZINC001165353257 1090510452 /nfs/dbraw/zinc/51/04/52/1090510452.db2.gz NIJKETQKMKPUJT-UHFFFAOYSA-N 2 2 312.804 3.071 20 0 DGADLP Cc1cc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]c2cc[nH]c21 ZINC001165468921 1090523805 /nfs/dbraw/zinc/52/38/05/1090523805.db2.gz KTHVYECIJJGBQM-UHFFFAOYSA-N 2 2 306.413 3.415 20 0 DGADLP c1ccc([C@H](CNc2ccc3c([nH+]2)NCCO3)[NH+]2CCCC2)cc1 ZINC001166911300 1090676262 /nfs/dbraw/zinc/67/62/62/1090676262.db2.gz TUPBQDPBVARRCD-INIZCTEOSA-N 2 2 324.428 3.135 20 0 DGADLP CCc1[nH]c(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)c(C)[nH+]1 ZINC001203247291 1090707536 /nfs/dbraw/zinc/70/75/36/1090707536.db2.gz AUJZTDQYJAXANN-UHFFFAOYSA-N 2 2 324.472 3.087 20 0 DGADLP CCc1[nH+]ccc(C)c1Nc1cnn(CC[NH+](CC)CC)c1 ZINC001203256213 1090708797 /nfs/dbraw/zinc/70/87/97/1090708797.db2.gz JBCXVLLHQSUNHX-UHFFFAOYSA-N 2 2 301.438 3.234 20 0 DGADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001203743200 1090793516 /nfs/dbraw/zinc/79/35/16/1090793516.db2.gz NMSDOOUEBGNTIX-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061813 1090887526 /nfs/dbraw/zinc/88/75/26/1090887526.db2.gz AHWFZHISKLXYFQ-RBUKOAKNSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061813 1090887532 /nfs/dbraw/zinc/88/75/32/1090887532.db2.gz AHWFZHISKLXYFQ-RBUKOAKNSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061813 1090887537 /nfs/dbraw/zinc/88/75/37/1090887537.db2.gz AHWFZHISKLXYFQ-RBUKOAKNSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204061813 1090887541 /nfs/dbraw/zinc/88/75/41/1090887541.db2.gz AHWFZHISKLXYFQ-RBUKOAKNSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078182 1090893515 /nfs/dbraw/zinc/89/35/15/1090893515.db2.gz RAMRAHDSKUTNPX-PMACEKPBSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078182 1090893517 /nfs/dbraw/zinc/89/35/17/1090893517.db2.gz RAMRAHDSKUTNPX-PMACEKPBSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078182 1090893520 /nfs/dbraw/zinc/89/35/20/1090893520.db2.gz RAMRAHDSKUTNPX-PMACEKPBSA-N 2 2 307.441 3.036 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204078182 1090893522 /nfs/dbraw/zinc/89/35/22/1090893522.db2.gz RAMRAHDSKUTNPX-PMACEKPBSA-N 2 2 307.441 3.036 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1C ZINC001204352479 1090954251 /nfs/dbraw/zinc/95/42/51/1090954251.db2.gz SLWUHBBZFNJABB-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204414336 1090964293 /nfs/dbraw/zinc/96/42/93/1090964293.db2.gz XCLYBHMMWIUIMW-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204414336 1090964297 /nfs/dbraw/zinc/96/42/97/1090964297.db2.gz XCLYBHMMWIUIMW-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001204885206 1091054609 /nfs/dbraw/zinc/05/46/09/1091054609.db2.gz NORYQJBXKOAXKS-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001204885206 1091054614 /nfs/dbraw/zinc/05/46/14/1091054614.db2.gz NORYQJBXKOAXKS-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001204885401 1091055629 /nfs/dbraw/zinc/05/56/29/1091055629.db2.gz SZBJOAPXVOSIBX-HNNXBMFYSA-N 2 2 319.811 3.464 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001204885401 1091055636 /nfs/dbraw/zinc/05/56/36/1091055636.db2.gz SZBJOAPXVOSIBX-HNNXBMFYSA-N 2 2 319.811 3.464 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204904237 1091059419 /nfs/dbraw/zinc/05/94/19/1091059419.db2.gz LCAJTSFZAYQPGB-LJQANCHMSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204904237 1091059423 /nfs/dbraw/zinc/05/94/23/1091059423.db2.gz LCAJTSFZAYQPGB-LJQANCHMSA-N 2 2 308.425 3.285 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC12CC2 ZINC001204912629 1091061669 /nfs/dbraw/zinc/06/16/69/1091061669.db2.gz YALGDVULHYSKQA-QGZVFWFLSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)CC12CC2 ZINC001204912629 1091061676 /nfs/dbraw/zinc/06/16/76/1091061676.db2.gz YALGDVULHYSKQA-QGZVFWFLSA-N 2 2 313.832 3.325 20 0 DGADLP CCCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001273130117 1091067824 /nfs/dbraw/zinc/06/78/24/1091067824.db2.gz ZTTWHFNJFNKBKI-UHFFFAOYSA-N 2 2 317.477 3.439 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109131 1091104422 /nfs/dbraw/zinc/10/44/22/1091104422.db2.gz BFQXEZBBVCHAHU-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP COc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109131 1091104425 /nfs/dbraw/zinc/10/44/25/1091104425.db2.gz BFQXEZBBVCHAHU-ZDUSSCGKSA-N 2 2 302.340 3.027 20 0 DGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117726 1091106180 /nfs/dbraw/zinc/10/61/80/1091106180.db2.gz SWGKTMBHZOLGSP-LBPRGKRZSA-N 2 2 324.519 3.210 20 0 DGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117726 1091106185 /nfs/dbraw/zinc/10/61/85/1091106185.db2.gz SWGKTMBHZOLGSP-LBPRGKRZSA-N 2 2 324.519 3.210 20 0 DGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117725 1091106410 /nfs/dbraw/zinc/10/64/10/1091106410.db2.gz SWGKTMBHZOLGSP-GFCCVEGCSA-N 2 2 324.519 3.210 20 0 DGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117725 1091106415 /nfs/dbraw/zinc/10/64/15/1091106415.db2.gz SWGKTMBHZOLGSP-GFCCVEGCSA-N 2 2 324.519 3.210 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001205191068 1091125085 /nfs/dbraw/zinc/12/50/85/1091125085.db2.gz VCQVWGNZOBRNHP-BDJLRTHQSA-N 2 2 319.811 3.463 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cnc(Cl)c(F)c2)cc1 ZINC001205191068 1091125087 /nfs/dbraw/zinc/12/50/87/1091125087.db2.gz VCQVWGNZOBRNHP-BDJLRTHQSA-N 2 2 319.811 3.463 20 0 DGADLP Cc1cc(-c2ccc(OCCC[NH+](C)C)nc2)c2[nH+]ccn2c1 ZINC001205233566 1091141608 /nfs/dbraw/zinc/14/16/08/1091141608.db2.gz UHFQREFULMRASW-UHFFFAOYSA-N 2 2 310.401 3.035 20 0 DGADLP COc1c(F)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205280582 1091161945 /nfs/dbraw/zinc/16/19/45/1091161945.db2.gz CWKZURZCTYAKIE-OAHLLOKOSA-N 2 2 300.805 3.191 20 0 DGADLP COc1c(F)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205280582 1091161954 /nfs/dbraw/zinc/16/19/54/1091161954.db2.gz CWKZURZCTYAKIE-OAHLLOKOSA-N 2 2 300.805 3.191 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001205325539 1091185586 /nfs/dbraw/zinc/18/55/86/1091185586.db2.gz PBRAGAAHAWCVMR-AWEZNQCLSA-N 2 2 303.837 3.315 20 0 DGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001205325539 1091185590 /nfs/dbraw/zinc/18/55/90/1091185590.db2.gz PBRAGAAHAWCVMR-AWEZNQCLSA-N 2 2 303.837 3.315 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001205340472 1091192514 /nfs/dbraw/zinc/19/25/14/1091192514.db2.gz UBPNVJRLBPYZAL-OAHLLOKOSA-N 2 2 312.413 3.368 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001205340472 1091192522 /nfs/dbraw/zinc/19/25/22/1091192522.db2.gz UBPNVJRLBPYZAL-OAHLLOKOSA-N 2 2 312.413 3.368 20 0 DGADLP CC(C)=CCCC1=CC[C@H](C[N@@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001205376196 1091204796 /nfs/dbraw/zinc/20/47/96/1091204796.db2.gz CYHPIFLDGHOIEM-OALUTQOASA-N 2 2 306.494 3.380 20 0 DGADLP CC(C)=CCCC1=CC[C@H](C[N@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001205376196 1091204803 /nfs/dbraw/zinc/20/48/03/1091204803.db2.gz CYHPIFLDGHOIEM-OALUTQOASA-N 2 2 306.494 3.380 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138717114 1091296289 /nfs/dbraw/zinc/29/62/89/1091296289.db2.gz HZHTXJIBWNOLMM-UHFFFAOYSA-N 2 2 314.473 3.462 20 0 DGADLP Cc1cc(-c2ccc(CC[NH+]3CCOCC3)cc2)c2[nH+]ccn2c1 ZINC001205664362 1091303837 /nfs/dbraw/zinc/30/38/37/1091303837.db2.gz RIEQPGTWOASCJS-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)cc(OC)c(C)c1C ZINC001138727238 1091304245 /nfs/dbraw/zinc/30/42/45/1091304245.db2.gz MATZARGJEBSMLB-UHFFFAOYSA-N 2 2 301.434 3.339 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)cc(OC)c(C)c1C ZINC001138727238 1091304254 /nfs/dbraw/zinc/30/42/54/1091304254.db2.gz MATZARGJEBSMLB-UHFFFAOYSA-N 2 2 301.434 3.339 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000163495695 1091313617 /nfs/dbraw/zinc/31/36/17/1091313617.db2.gz XRTJJKQRJFCRJS-BXUZGUMPSA-N 2 2 311.267 3.174 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000163495695 1091313626 /nfs/dbraw/zinc/31/36/26/1091313626.db2.gz XRTJJKQRJFCRJS-BXUZGUMPSA-N 2 2 311.267 3.174 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccsc3)nc2)CCC1(F)F ZINC001205771817 1091342263 /nfs/dbraw/zinc/34/22/63/1091342263.db2.gz WLDTUTNSRQTRJM-CQSZACIVSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccsc3)nc2)CCC1(F)F ZINC001205771817 1091342276 /nfs/dbraw/zinc/34/22/76/1091342276.db2.gz WLDTUTNSRQTRJM-CQSZACIVSA-N 2 2 323.412 3.226 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827055 1091367421 /nfs/dbraw/zinc/36/74/21/1091367421.db2.gz FZHGVVPXSUBCKD-WMLDXEAASA-N 2 2 318.461 3.201 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827055 1091367433 /nfs/dbraw/zinc/36/74/33/1091367433.db2.gz FZHGVVPXSUBCKD-WMLDXEAASA-N 2 2 318.461 3.201 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205830244 1091369649 /nfs/dbraw/zinc/36/96/49/1091369649.db2.gz SHTYBQDQIQJEFS-DZGCQCFKSA-N 2 2 301.434 3.126 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205830244 1091369656 /nfs/dbraw/zinc/36/96/56/1091369656.db2.gz SHTYBQDQIQJEFS-DZGCQCFKSA-N 2 2 301.434 3.126 20 0 DGADLP Cc1cnccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001205835742 1091373921 /nfs/dbraw/zinc/37/39/21/1091373921.db2.gz YWIJITVRTHALAQ-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842741 1091376031 /nfs/dbraw/zinc/37/60/31/1091376031.db2.gz OSJPRIJCRYVNCD-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842741 1091376045 /nfs/dbraw/zinc/37/60/45/1091376045.db2.gz OSJPRIJCRYVNCD-RDTXWAMCSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1sccc1Br ZINC001205903500 1091401279 /nfs/dbraw/zinc/40/12/79/1091401279.db2.gz PTAPGENTVCKTHC-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1sccc1Br ZINC001205903500 1091401283 /nfs/dbraw/zinc/40/12/83/1091401283.db2.gz PTAPGENTVCKTHC-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001205937738 1091421968 /nfs/dbraw/zinc/42/19/68/1091421968.db2.gz CIQPKJVNMWLBOH-CQSZACIVSA-N 2 2 314.429 3.170 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CCCC[C@@H]([NH3+])C2)c2ccccc12 ZINC001205937738 1091421971 /nfs/dbraw/zinc/42/19/71/1091421971.db2.gz CIQPKJVNMWLBOH-CQSZACIVSA-N 2 2 314.429 3.170 20 0 DGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001205938991 1091423739 /nfs/dbraw/zinc/42/37/39/1091423739.db2.gz MPCNZCUKBYQVMQ-MRXNPFEDSA-N 2 2 312.413 3.498 20 0 DGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001205938991 1091423743 /nfs/dbraw/zinc/42/37/43/1091423743.db2.gz MPCNZCUKBYQVMQ-MRXNPFEDSA-N 2 2 312.413 3.498 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC001139149905 1091465606 /nfs/dbraw/zinc/46/56/06/1091465606.db2.gz PCYVJDMCZJNBJB-UHFFFAOYSA-N 2 2 315.461 3.103 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC001139149905 1091465609 /nfs/dbraw/zinc/46/56/09/1091465609.db2.gz PCYVJDMCZJNBJB-UHFFFAOYSA-N 2 2 315.461 3.103 20 0 DGADLP COc1ccc2c(c1)c(C[NH+]1CCC(n3cc[nH+]c3)CC1)cn2C ZINC001139147051 1091465942 /nfs/dbraw/zinc/46/59/42/1091465942.db2.gz HCLCAKPQXKIKIJ-UHFFFAOYSA-N 2 2 324.428 3.221 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206187457 1091527333 /nfs/dbraw/zinc/52/73/33/1091527333.db2.gz TUZNOOXWGMAUCP-RYUDHWBXSA-N 2 2 321.259 3.080 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206187457 1091527340 /nfs/dbraw/zinc/52/73/40/1091527340.db2.gz TUZNOOXWGMAUCP-RYUDHWBXSA-N 2 2 321.259 3.080 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)CC[C@H]1F ZINC001206201314 1091532894 /nfs/dbraw/zinc/53/28/94/1091532894.db2.gz WURPWJLSFMISJN-ZIAGYGMSSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)CC[C@H]1F ZINC001206201314 1091532899 /nfs/dbraw/zinc/53/28/99/1091532899.db2.gz WURPWJLSFMISJN-ZIAGYGMSSA-N 2 2 307.800 3.149 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206209641 1091536581 /nfs/dbraw/zinc/53/65/81/1091536581.db2.gz HLVIJMQTZRDFEW-ZWKOTPCHSA-N 2 2 313.420 3.318 20 0 DGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206209641 1091536588 /nfs/dbraw/zinc/53/65/88/1091536588.db2.gz HLVIJMQTZRDFEW-ZWKOTPCHSA-N 2 2 313.420 3.318 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206583826 1091677926 /nfs/dbraw/zinc/67/79/26/1091677926.db2.gz XAZFKVCLACUOME-HNNXBMFYSA-N 2 2 315.383 3.360 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206583826 1091677928 /nfs/dbraw/zinc/67/79/28/1091677928.db2.gz XAZFKVCLACUOME-HNNXBMFYSA-N 2 2 315.383 3.360 20 0 DGADLP COCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001139829458 1091682846 /nfs/dbraw/zinc/68/28/46/1091682846.db2.gz MXTKKTCDGMQSCH-AWEZNQCLSA-N 2 2 318.442 3.251 20 0 DGADLP COc1c(Cl)ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206616832 1091690821 /nfs/dbraw/zinc/69/08/21/1091690821.db2.gz QWLMWHMDNLRLLN-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COc1c(Cl)ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206616832 1091690825 /nfs/dbraw/zinc/69/08/25/1091690825.db2.gz QWLMWHMDNLRLLN-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C(C)C)c(C)[nH+]1 ZINC001085280005 1091732808 /nfs/dbraw/zinc/73/28/08/1091732808.db2.gz PQUZEFTZSMLTOR-HZPDHXFCSA-N 2 2 303.450 3.046 20 0 DGADLP c1cn(C2CC[NH+](Cc3ccccc3-c3cncnc3)CC2)c[nH+]1 ZINC001140022798 1091741134 /nfs/dbraw/zinc/74/11/34/1091741134.db2.gz VGQBZQSBLFJGCU-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001140021001 1091741367 /nfs/dbraw/zinc/74/13/67/1091741367.db2.gz GXTVTYVHRWSNIW-KXBFYZLASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001140021001 1091741372 /nfs/dbraw/zinc/74/13/72/1091741372.db2.gz GXTVTYVHRWSNIW-KXBFYZLASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2cccnc2C1 ZINC001140025855 1091742610 /nfs/dbraw/zinc/74/26/10/1091742610.db2.gz DLMYBOYRGRTQKQ-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2cccnc2C1 ZINC001140025855 1091742615 /nfs/dbraw/zinc/74/26/15/1091742615.db2.gz DLMYBOYRGRTQKQ-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC001206800169 1091746261 /nfs/dbraw/zinc/74/62/61/1091746261.db2.gz IOTPOWCOOOIEHE-LPHOPBHVSA-N 2 2 318.509 3.235 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC001206800169 1091746264 /nfs/dbraw/zinc/74/62/64/1091746264.db2.gz IOTPOWCOOOIEHE-LPHOPBHVSA-N 2 2 318.509 3.235 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC001206800173 1091746311 /nfs/dbraw/zinc/74/63/11/1091746311.db2.gz IOTPOWCOOOIEHE-QFBILLFUSA-N 2 2 318.509 3.235 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC001206800173 1091746314 /nfs/dbraw/zinc/74/63/14/1091746314.db2.gz IOTPOWCOOOIEHE-QFBILLFUSA-N 2 2 318.509 3.235 20 0 DGADLP c1cc(-c2cncnc2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001140350289 1091837163 /nfs/dbraw/zinc/83/71/63/1091837163.db2.gz JOVUMGKAPKPHIB-UHFFFAOYSA-N 2 2 322.456 3.204 20 0 DGADLP Cc1ccc(Cl)nc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001140448214 1091869304 /nfs/dbraw/zinc/86/93/04/1091869304.db2.gz IANMBQLYVRWCBX-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207181412 1091879334 /nfs/dbraw/zinc/87/93/34/1091879334.db2.gz OXESSCOMSPJWRC-PBHICJAKSA-N 2 2 301.821 3.464 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001207181412 1091879341 /nfs/dbraw/zinc/87/93/41/1091879341.db2.gz OXESSCOMSPJWRC-PBHICJAKSA-N 2 2 301.821 3.464 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196990 1091884741 /nfs/dbraw/zinc/88/47/41/1091884741.db2.gz NWYKQHRYPNVIJA-MXSMSXNCSA-N 2 2 304.865 3.470 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196990 1091884748 /nfs/dbraw/zinc/88/47/48/1091884748.db2.gz NWYKQHRYPNVIJA-MXSMSXNCSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196990 1091884754 /nfs/dbraw/zinc/88/47/54/1091884754.db2.gz NWYKQHRYPNVIJA-MXSMSXNCSA-N 2 2 304.865 3.470 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]21 ZINC001207196990 1091884760 /nfs/dbraw/zinc/88/47/60/1091884760.db2.gz NWYKQHRYPNVIJA-MXSMSXNCSA-N 2 2 304.865 3.470 20 0 DGADLP Cc1cccc(N2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c1C ZINC001207282338 1091910531 /nfs/dbraw/zinc/91/05/31/1091910531.db2.gz IWRZXUBZLMSLPR-UHFFFAOYSA-N 2 2 303.494 3.013 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3cc(F)ccc3C)CC2)CC1 ZINC001140592670 1091924250 /nfs/dbraw/zinc/92/42/50/1091924250.db2.gz VPOUPKXEUIUTRM-UHFFFAOYSA-N 2 2 320.452 3.209 20 0 DGADLP CC/C=C\CC[NH+]1CCC2(C[NH+](Cc3nccn3CC)C2)CC1 ZINC001276526726 1091937792 /nfs/dbraw/zinc/93/77/92/1091937792.db2.gz YBOGPBXCMPAORU-WAYWQWQTSA-N 2 2 316.493 3.157 20 0 DGADLP CC(C)CCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001276529295 1091951456 /nfs/dbraw/zinc/95/14/56/1091951456.db2.gz DLGBEDYXRBKNAV-RBUKOAKNSA-N 3 2 318.509 3.344 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(Cl)ncc4ccccc43)C[C@H]2C1 ZINC001140726688 1091976685 /nfs/dbraw/zinc/97/66/85/1091976685.db2.gz RPNMIFDXEQDENH-HUUCEWRRSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1CCC(CC[N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001207479970 1091983274 /nfs/dbraw/zinc/98/32/74/1091983274.db2.gz QWUZRIJSVUGNTR-UHFFFAOYSA-N 2 2 323.278 3.497 20 0 DGADLP C[NH+]1CCC(CC[N@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001207479970 1091983281 /nfs/dbraw/zinc/98/32/81/1091983281.db2.gz QWUZRIJSVUGNTR-UHFFFAOYSA-N 2 2 323.278 3.497 20 0 DGADLP C[N@H+](CCC1CC[NH+](C)CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207487507 1091985265 /nfs/dbraw/zinc/98/52/65/1091985265.db2.gz LKMBKTDIVVXLOW-UHFFFAOYSA-N 3 2 312.461 3.036 20 0 DGADLP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001207487507 1091985274 /nfs/dbraw/zinc/98/52/74/1091985274.db2.gz LKMBKTDIVVXLOW-UHFFFAOYSA-N 3 2 312.461 3.036 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1cccc(Br)c1)C2 ZINC001207506989 1091998243 /nfs/dbraw/zinc/99/82/43/1091998243.db2.gz NWBXXUPUZNKVHG-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1cccc(Br)c1)C2 ZINC001207506989 1091998253 /nfs/dbraw/zinc/99/82/53/1091998253.db2.gz NWBXXUPUZNKVHG-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793283 1092002051 /nfs/dbraw/zinc/00/20/51/1092002051.db2.gz GCGYLELQSXEGHL-INIZCTEOSA-N 2 2 318.804 3.402 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001140793283 1092002061 /nfs/dbraw/zinc/00/20/61/1092002061.db2.gz GCGYLELQSXEGHL-INIZCTEOSA-N 2 2 318.804 3.402 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626046 1092049025 /nfs/dbraw/zinc/04/90/25/1092049025.db2.gz YAGULARZNFWNEG-ZPAWYTMASA-N 2 2 323.484 3.048 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626046 1092049032 /nfs/dbraw/zinc/04/90/32/1092049032.db2.gz YAGULARZNFWNEG-ZPAWYTMASA-N 2 2 323.484 3.048 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626046 1092049042 /nfs/dbraw/zinc/04/90/42/1092049042.db2.gz YAGULARZNFWNEG-ZPAWYTMASA-N 2 2 323.484 3.048 20 0 DGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207626046 1092049049 /nfs/dbraw/zinc/04/90/49/1092049049.db2.gz YAGULARZNFWNEG-ZPAWYTMASA-N 2 2 323.484 3.048 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+](C)CCC[NH+](C)C)n2)cc1 ZINC001140954760 1092079269 /nfs/dbraw/zinc/07/92/69/1092079269.db2.gz LJZUYUDIZXQCCF-UHFFFAOYSA-N 2 2 313.445 3.141 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+](C)CCC[NH+](C)C)n2)cc1 ZINC001140954760 1092079280 /nfs/dbraw/zinc/07/92/80/1092079280.db2.gz LJZUYUDIZXQCCF-UHFFFAOYSA-N 2 2 313.445 3.141 20 0 DGADLP Cc1ncccc1CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001207745474 1092087958 /nfs/dbraw/zinc/08/79/58/1092087958.db2.gz OBXKAWQMUFZCQS-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ncccc1CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001207745474 1092087972 /nfs/dbraw/zinc/08/79/72/1092087972.db2.gz OBXKAWQMUFZCQS-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083449829 1092094656 /nfs/dbraw/zinc/09/46/56/1092094656.db2.gz AHSDTJCUXILDAC-LLVKDONJSA-N 2 2 304.444 3.246 20 0 DGADLP Cc1ccncc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141048416 1092119921 /nfs/dbraw/zinc/11/99/21/1092119921.db2.gz NNAQBWOAEXXBLP-TZIWHRDSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141048416 1092119925 /nfs/dbraw/zinc/11/99/25/1092119925.db2.gz NNAQBWOAEXXBLP-TZIWHRDSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001141048416 1092119927 /nfs/dbraw/zinc/11/99/27/1092119927.db2.gz NNAQBWOAEXXBLP-TZIWHRDSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001141048416 1092119932 /nfs/dbraw/zinc/11/99/32/1092119932.db2.gz NNAQBWOAEXXBLP-TZIWHRDSSA-N 2 2 321.468 3.344 20 0 DGADLP CCCCc1[nH]c(CN(C)CC[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC001141073638 1092127704 /nfs/dbraw/zinc/12/77/04/1092127704.db2.gz KGPXJFGFSPIAMO-UHFFFAOYSA-N 2 2 314.477 3.316 20 0 DGADLP CCCCc1[nH]c(CN(C)CC[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC001141073638 1092127712 /nfs/dbraw/zinc/12/77/12/1092127712.db2.gz KGPXJFGFSPIAMO-UHFFFAOYSA-N 2 2 314.477 3.316 20 0 DGADLP CCCCc1[nH]cc(CN(C)CC[N@H+](C)Cc2ccccc2)[nH+]1 ZINC001141073638 1092127721 /nfs/dbraw/zinc/12/77/21/1092127721.db2.gz KGPXJFGFSPIAMO-UHFFFAOYSA-N 2 2 314.477 3.316 20 0 DGADLP CCCCc1[nH]cc(CN(C)CC[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC001141073638 1092127728 /nfs/dbraw/zinc/12/77/28/1092127728.db2.gz KGPXJFGFSPIAMO-UHFFFAOYSA-N 2 2 314.477 3.316 20 0 DGADLP C[C@H](C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1)c1ccccc1 ZINC001207904406 1092134357 /nfs/dbraw/zinc/13/43/57/1092134357.db2.gz DIMLSJZCJOOVTE-MISYRCLQSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1)c1ccccc1 ZINC001207906773 1092136916 /nfs/dbraw/zinc/13/69/16/1092136916.db2.gz OOAZIDHSYLBKRQ-QGZVFWFLSA-N 2 2 324.472 3.098 20 0 DGADLP C[C@H](C[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1)c1ccccc1 ZINC001207906773 1092136919 /nfs/dbraw/zinc/13/69/19/1092136919.db2.gz OOAZIDHSYLBKRQ-QGZVFWFLSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001207950208 1092154902 /nfs/dbraw/zinc/15/49/02/1092154902.db2.gz PLRJUIATFBHPSF-QGZVFWFLSA-N 2 2 300.402 3.377 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001207950208 1092154906 /nfs/dbraw/zinc/15/49/06/1092154906.db2.gz PLRJUIATFBHPSF-QGZVFWFLSA-N 2 2 300.402 3.377 20 0 DGADLP Cc1cc(N2CC[NH+](CCCC3CCCC3)CC2)nc(C)[nH+]1 ZINC001208091463 1092194794 /nfs/dbraw/zinc/19/47/94/1092194794.db2.gz GMAZFLOGTCEJJF-UHFFFAOYSA-N 2 2 302.466 3.186 20 0 DGADLP COCC[N@H+](CC[C@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208153271 1092223985 /nfs/dbraw/zinc/22/39/85/1092223985.db2.gz DUAJGAZBCKVEOI-HNNXBMFYSA-N 2 2 308.466 3.124 20 0 DGADLP COCC[N@@H+](CC[C@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208153271 1092223992 /nfs/dbraw/zinc/22/39/92/1092223992.db2.gz DUAJGAZBCKVEOI-HNNXBMFYSA-N 2 2 308.466 3.124 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)nc1C ZINC001141434951 1092245246 /nfs/dbraw/zinc/24/52/46/1092245246.db2.gz XMSUWCDDAYQTGQ-UHFFFAOYSA-N 2 2 303.372 3.182 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)nc1C ZINC001141434951 1092245258 /nfs/dbraw/zinc/24/52/58/1092245258.db2.gz XMSUWCDDAYQTGQ-UHFFFAOYSA-N 2 2 303.372 3.182 20 0 DGADLP Fc1cc2ncccc2cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001141631067 1092299866 /nfs/dbraw/zinc/29/98/66/1092299866.db2.gz JZJFQHNIOWGNAO-UHFFFAOYSA-N 2 2 310.376 3.408 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)[nH+]1 ZINC001142066055 1092401395 /nfs/dbraw/zinc/40/13/95/1092401395.db2.gz RWJFWGPBXSBPEU-YJYMSZOUSA-N 2 2 317.477 3.247 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001208602325 1092422056 /nfs/dbraw/zinc/42/20/56/1092422056.db2.gz BJWHCYFFKSGRCK-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001208602325 1092422065 /nfs/dbraw/zinc/42/20/65/1092422065.db2.gz BJWHCYFFKSGRCK-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604792 1092422774 /nfs/dbraw/zinc/42/27/74/1092422774.db2.gz VQRPMORXENGBSF-INIZCTEOSA-N 2 2 321.896 3.112 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208604792 1092422780 /nfs/dbraw/zinc/42/27/80/1092422780.db2.gz VQRPMORXENGBSF-INIZCTEOSA-N 2 2 321.896 3.112 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c(C)[nH+]1 ZINC001276570958 1092425542 /nfs/dbraw/zinc/42/55/42/1092425542.db2.gz ZWAFQFGONHUPTB-UHFFFAOYSA-N 3 2 316.493 3.257 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c(C)[nH+]1 ZINC001276570958 1092425552 /nfs/dbraw/zinc/42/55/52/1092425552.db2.gz ZWAFQFGONHUPTB-UHFFFAOYSA-N 3 2 316.493 3.257 20 0 DGADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615135 1092427553 /nfs/dbraw/zinc/42/75/53/1092427553.db2.gz QACFAORVUMRMOF-QGZVFWFLSA-N 3 2 307.526 3.057 20 0 DGADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615135 1092427556 /nfs/dbraw/zinc/42/75/56/1092427556.db2.gz QACFAORVUMRMOF-QGZVFWFLSA-N 3 2 307.526 3.057 20 0 DGADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615135 1092427560 /nfs/dbraw/zinc/42/75/60/1092427560.db2.gz QACFAORVUMRMOF-QGZVFWFLSA-N 3 2 307.526 3.057 20 0 DGADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615135 1092427564 /nfs/dbraw/zinc/42/75/64/1092427564.db2.gz QACFAORVUMRMOF-QGZVFWFLSA-N 3 2 307.526 3.057 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCCCOCc1ccccc1)C2 ZINC001208810931 1092519660 /nfs/dbraw/zinc/51/96/60/1092519660.db2.gz GXMULCUPMGOHSW-UHFFFAOYSA-N 2 2 313.445 3.394 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+](CCCCCOCc1ccccc1)C2 ZINC001208810931 1092519676 /nfs/dbraw/zinc/51/96/76/1092519676.db2.gz GXMULCUPMGOHSW-UHFFFAOYSA-N 2 2 313.445 3.394 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118615 1092541470 /nfs/dbraw/zinc/54/14/70/1092541470.db2.gz LYNYSRAEKHMHAI-HGTKMLMNSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ncccc1Cl)C1CC1)C2 ZINC001169118615 1092541479 /nfs/dbraw/zinc/54/14/79/1092541479.db2.gz LYNYSRAEKHMHAI-HGTKMLMNSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123133 1092544400 /nfs/dbraw/zinc/54/44/00/1092544400.db2.gz JEYOZYOIWHJSML-HGTKMLMNSA-N 2 2 306.837 3.378 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123133 1092544408 /nfs/dbraw/zinc/54/44/08/1092544408.db2.gz JEYOZYOIWHJSML-HGTKMLMNSA-N 2 2 306.837 3.378 20 0 DGADLP CC1(C)C[C@H](Nc2ccc3c([nH+]2)CCOC3)C[C@@](C)(C[NH3+])C1 ZINC001169139509 1092551660 /nfs/dbraw/zinc/55/16/60/1092551660.db2.gz BHYHDTPGMVTJSW-KBXCAEBGSA-N 2 2 303.450 3.110 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848791 1092565151 /nfs/dbraw/zinc/56/51/51/1092565151.db2.gz CLBHGFQTNWNNQB-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848791 1092565158 /nfs/dbraw/zinc/56/51/58/1092565158.db2.gz CLBHGFQTNWNNQB-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848791 1092565162 /nfs/dbraw/zinc/56/51/62/1092565162.db2.gz CLBHGFQTNWNNQB-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]21 ZINC001142848791 1092565167 /nfs/dbraw/zinc/56/51/67/1092565167.db2.gz CLBHGFQTNWNNQB-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(=O)c4ccccc43)CC1)C2 ZINC001169153615 1092568090 /nfs/dbraw/zinc/56/80/90/1092568090.db2.gz LNJMMMJDAVHAQF-FVQHAEBGSA-N 2 2 324.468 3.232 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(=O)c4ccccc43)CC1)C2 ZINC001169153615 1092568097 /nfs/dbraw/zinc/56/80/97/1092568097.db2.gz LNJMMMJDAVHAQF-FVQHAEBGSA-N 2 2 324.468 3.232 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccn3ccnc23)CC1 ZINC001142963189 1092595635 /nfs/dbraw/zinc/59/56/35/1092595635.db2.gz NWQOEVYWBNFLPE-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccn3ccnc23)CC1 ZINC001142963189 1092595644 /nfs/dbraw/zinc/59/56/44/1092595644.db2.gz NWQOEVYWBNFLPE-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP C[C@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208940515 1092601926 /nfs/dbraw/zinc/60/19/26/1092601926.db2.gz STNOTZZZLFRDNX-JENIJYKNSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC001208940515 1092601933 /nfs/dbraw/zinc/60/19/33/1092601933.db2.gz STNOTZZZLFRDNX-JENIJYKNSA-N 2 2 302.462 3.008 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941367 1092602663 /nfs/dbraw/zinc/60/26/63/1092602663.db2.gz YKJBIKCGOCWGQF-WOJBJXKFSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941367 1092602668 /nfs/dbraw/zinc/60/26/68/1092602668.db2.gz YKJBIKCGOCWGQF-WOJBJXKFSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941367 1092602670 /nfs/dbraw/zinc/60/26/70/1092602670.db2.gz YKJBIKCGOCWGQF-WOJBJXKFSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941367 1092602673 /nfs/dbraw/zinc/60/26/73/1092602673.db2.gz YKJBIKCGOCWGQF-WOJBJXKFSA-N 2 2 314.473 3.200 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OC)c2C(F)(F)F)CC1 ZINC001169231117 1092603856 /nfs/dbraw/zinc/60/38/56/1092603856.db2.gz PRLVJVDYKULDIC-UHFFFAOYSA-N 2 2 316.367 3.288 20 0 DGADLP CN(Cc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001143019030 1092605172 /nfs/dbraw/zinc/60/51/72/1092605172.db2.gz UCVLDDWRBZBNSL-LJQANCHMSA-N 2 2 320.440 3.041 20 0 DGADLP CN(Cc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143019030 1092605181 /nfs/dbraw/zinc/60/51/81/1092605181.db2.gz UCVLDDWRBZBNSL-LJQANCHMSA-N 2 2 320.440 3.041 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208947069 1092606727 /nfs/dbraw/zinc/60/67/27/1092606727.db2.gz YMQYFXSXSJLXFJ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208947069 1092606730 /nfs/dbraw/zinc/60/67/30/1092606730.db2.gz YMQYFXSXSJLXFJ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CCC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208947069 1092606732 /nfs/dbraw/zinc/60/67/32/1092606732.db2.gz YMQYFXSXSJLXFJ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+](CCC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208947069 1092606735 /nfs/dbraw/zinc/60/67/35/1092606735.db2.gz YMQYFXSXSJLXFJ-FQEVSTJZSA-N 3 2 317.521 3.172 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](Sc3ccccc3OC)C2)CC1 ZINC001169261195 1092621985 /nfs/dbraw/zinc/62/19/85/1092621985.db2.gz CRDZTUIGCUKWIP-MRXNPFEDSA-N 2 2 320.502 3.346 20 0 DGADLP CC[NH+]1CCC([N@H+]2CC[C@@H](Sc3ccccc3OC)C2)CC1 ZINC001169261195 1092621991 /nfs/dbraw/zinc/62/19/91/1092621991.db2.gz CRDZTUIGCUKWIP-MRXNPFEDSA-N 2 2 320.502 3.346 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001169261190 1092622196 /nfs/dbraw/zinc/62/21/96/1092622196.db2.gz CJDCWBANAOMWLD-UHFFFAOYSA-N 2 2 323.868 3.063 20 0 DGADLP C[N@H+](Cc1cc2cccnc2[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001143222087 1092637931 /nfs/dbraw/zinc/63/79/31/1092637931.db2.gz XLFPYKVANAJWAG-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP C[N@@H+](Cc1cc2cccnc2[nH]1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001143222087 1092637936 /nfs/dbraw/zinc/63/79/36/1092637936.db2.gz XLFPYKVANAJWAG-UHFFFAOYSA-N 2 2 317.396 3.381 20 0 DGADLP c1ccc(COC[C@@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449009 1092779753 /nfs/dbraw/zinc/77/97/53/1092779753.db2.gz PNAORWGTOBTZMO-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP c1ccc(COC[C@@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC001209449009 1092779762 /nfs/dbraw/zinc/77/97/62/1092779762.db2.gz PNAORWGTOBTZMO-IBGZPJMESA-N 2 2 302.462 3.154 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)ccc1OC(C)C ZINC001276660417 1092861383 /nfs/dbraw/zinc/86/13/83/1092861383.db2.gz HYMORODQYYSIRV-ALOPSCKCSA-N 2 2 318.461 3.197 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)ccc1OC(C)C ZINC001276660417 1092861389 /nfs/dbraw/zinc/86/13/89/1092861389.db2.gz HYMORODQYYSIRV-ALOPSCKCSA-N 2 2 318.461 3.197 20 0 DGADLP Nc1cc[nH+]cc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001209727935 1092895555 /nfs/dbraw/zinc/89/55/55/1092895555.db2.gz OVXHDSZRVABLAC-UHFFFAOYSA-N 2 2 308.385 3.015 20 0 DGADLP C[NH+]1CCN(c2cccc(Nc3ccc4[nH]c[nH+]c4c3)c2)CC1 ZINC001209848044 1092946188 /nfs/dbraw/zinc/94/61/88/1092946188.db2.gz HCNXHMQQHITWBI-UHFFFAOYSA-N 2 2 307.401 3.058 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676362 1093003896 /nfs/dbraw/zinc/00/38/96/1093003896.db2.gz BGUWEYVZSGEIAY-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676362 1093003906 /nfs/dbraw/zinc/00/39/06/1093003906.db2.gz BGUWEYVZSGEIAY-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676362 1093003914 /nfs/dbraw/zinc/00/39/14/1093003914.db2.gz BGUWEYVZSGEIAY-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC001276676362 1093003920 /nfs/dbraw/zinc/00/39/20/1093003920.db2.gz BGUWEYVZSGEIAY-FQEVSTJZSA-N 2 2 324.472 3.180 20 0 DGADLP C[NH+]1CCC(n2cc(Nc3cccc4cc[nH+]cc43)cn2)CC1 ZINC001210224033 1093084214 /nfs/dbraw/zinc/08/42/14/1093084214.db2.gz BIUBUFBWGHMRRR-UHFFFAOYSA-N 2 2 307.401 3.442 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(CN(Cc3c[nH+]c(C)[nH]3)C2)C1 ZINC001276682241 1093127033 /nfs/dbraw/zinc/12/70/33/1093127033.db2.gz HZVKGEUTLCBOEA-MRXNPFEDSA-N 2 2 304.482 3.052 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(CN(Cc3c[nH]c(C)[nH+]3)C2)C1 ZINC001276682241 1093127038 /nfs/dbraw/zinc/12/70/38/1093127038.db2.gz HZVKGEUTLCBOEA-MRXNPFEDSA-N 2 2 304.482 3.052 20 0 DGADLP Cc1cc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc(OC(F)(F)F)c1 ZINC001210499206 1093189005 /nfs/dbraw/zinc/18/90/05/1093189005.db2.gz SYNJSLYNKLHPBQ-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc(OC(F)(F)F)c1 ZINC001210499206 1093189006 /nfs/dbraw/zinc/18/90/06/1093189006.db2.gz SYNJSLYNKLHPBQ-LBPRGKRZSA-N 2 2 302.340 3.077 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000403216215 1094102379 /nfs/dbraw/zinc/10/23/79/1094102379.db2.gz GQRIPPZONBZFDZ-LBPRGKRZSA-N 2 2 308.294 3.121 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000403216215 1094102383 /nfs/dbraw/zinc/10/23/83/1094102383.db2.gz GQRIPPZONBZFDZ-LBPRGKRZSA-N 2 2 308.294 3.121 20 0 DGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC001120370835 1094416944 /nfs/dbraw/zinc/41/69/44/1094416944.db2.gz GUJHQNZVGWNNJP-CQSZACIVSA-N 2 2 312.889 3.327 20 0 DGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC001120370834 1094417274 /nfs/dbraw/zinc/41/72/74/1094417274.db2.gz GUJHQNZVGWNNJP-AWEZNQCLSA-N 2 2 312.889 3.327 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC001170797478 1094419701 /nfs/dbraw/zinc/41/97/01/1094419701.db2.gz VMVPSTGBFRQGDU-KRWDZBQOSA-N 2 2 320.452 3.257 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc(N)cc[nH+]1 ZINC001218245538 1094678163 /nfs/dbraw/zinc/67/81/63/1094678163.db2.gz GSRRVBWHLVIPBT-QGZVFWFLSA-N 2 2 311.429 3.343 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cc(N)cc[nH+]1 ZINC001218245538 1094678171 /nfs/dbraw/zinc/67/81/71/1094678171.db2.gz GSRRVBWHLVIPBT-QGZVFWFLSA-N 2 2 311.429 3.343 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000309758106 1094783525 /nfs/dbraw/zinc/78/35/25/1094783525.db2.gz XIVMNJIFMKKETN-QRVBRYPASA-N 2 2 312.457 3.095 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000309758106 1094783537 /nfs/dbraw/zinc/78/35/37/1094783537.db2.gz XIVMNJIFMKKETN-QRVBRYPASA-N 2 2 312.457 3.095 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309758106 1094783548 /nfs/dbraw/zinc/78/35/48/1094783548.db2.gz XIVMNJIFMKKETN-QRVBRYPASA-N 2 2 312.457 3.095 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309758106 1094783560 /nfs/dbraw/zinc/78/35/60/1094783560.db2.gz XIVMNJIFMKKETN-QRVBRYPASA-N 2 2 312.457 3.095 20 0 DGADLP [NH3+][C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CCCCCC1 ZINC001121996509 1094863172 /nfs/dbraw/zinc/86/31/72/1094863172.db2.gz IPRZGELVXREVKH-MRXNPFEDSA-N 2 2 312.417 3.313 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218788791 1094869020 /nfs/dbraw/zinc/86/90/20/1094869020.db2.gz YROMQUHVWGMJJQ-WBVHZDCISA-N 2 2 320.396 3.014 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc1 ZINC001218808624 1094872114 /nfs/dbraw/zinc/87/21/14/1094872114.db2.gz HPDUNCFGGWJUSR-SCLBCKFNSA-N 2 2 311.429 3.411 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001170911216 1094912757 /nfs/dbraw/zinc/91/27/57/1094912757.db2.gz VTPDTFJEGBSPPA-GJZGRUSLSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001170911216 1094912764 /nfs/dbraw/zinc/91/27/64/1094912764.db2.gz VTPDTFJEGBSPPA-GJZGRUSLSA-N 2 2 304.865 3.414 20 0 DGADLP Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc2c[nH+]cn21 ZINC001337336619 1094938135 /nfs/dbraw/zinc/93/81/35/1094938135.db2.gz NNCRVGCOFSXCHP-UHFFFAOYSA-N 2 2 317.352 3.081 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C(C)(C)c2ccc(Br)cc2)C[NH2+]1 ZINC001246176430 1095078895 /nfs/dbraw/zinc/07/88/95/1095078895.db2.gz QFEKAEPLQCAPSF-RISCZKNCSA-N 2 2 311.267 3.414 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCC2 ZINC000315864262 1095140390 /nfs/dbraw/zinc/14/03/90/1095140390.db2.gz JMFMGVDZNSSYME-ARFHVFGLSA-N 2 2 305.466 3.235 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000316685954 1095186275 /nfs/dbraw/zinc/18/62/75/1095186275.db2.gz GNTHVFZGRKYWCT-RCCFBDPRSA-N 2 2 302.462 3.126 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000316685954 1095186281 /nfs/dbraw/zinc/18/62/81/1095186281.db2.gz GNTHVFZGRKYWCT-RCCFBDPRSA-N 2 2 302.462 3.126 20 0 DGADLP Clc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001171061644 1095231104 /nfs/dbraw/zinc/23/11/04/1095231104.db2.gz WSTREXRMRXLVLY-INIZCTEOSA-N 2 2 304.865 3.367 20 0 DGADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3ccn4cc[nH+]c4c3)c2C1 ZINC001171093932 1095319825 /nfs/dbraw/zinc/31/98/25/1095319825.db2.gz FBYSFRLQCRZNFU-ZDUSSCGKSA-N 2 2 302.381 3.094 20 0 DGADLP CCc1ccccc1CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001338725002 1095372374 /nfs/dbraw/zinc/37/23/74/1095372374.db2.gz YYLUELHPJGZFKO-UHFFFAOYSA-N 2 2 320.396 3.319 20 0 DGADLP COc1c(F)cc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001143837390 1095405000 /nfs/dbraw/zinc/40/50/00/1095405000.db2.gz PNTQUJXSLVXLGK-UHFFFAOYSA-N 2 2 300.805 3.014 20 0 DGADLP COc1c(F)cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001143837390 1095405007 /nfs/dbraw/zinc/40/50/07/1095405007.db2.gz PNTQUJXSLVXLGK-UHFFFAOYSA-N 2 2 300.805 3.014 20 0 DGADLP Brc1cccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222140981 1095453895 /nfs/dbraw/zinc/45/38/95/1095453895.db2.gz BEKVJGWCXHTLBR-INIZCTEOSA-N 2 2 323.278 3.067 20 0 DGADLP Brc1cccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222140981 1095453900 /nfs/dbraw/zinc/45/39/00/1095453900.db2.gz BEKVJGWCXHTLBR-INIZCTEOSA-N 2 2 323.278 3.067 20 0 DGADLP Nc1ccc(F)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001222167724 1095472847 /nfs/dbraw/zinc/47/28/47/1095472847.db2.gz PSZWYTNTSFUUJL-GOSISDBHSA-N 2 2 323.431 3.293 20 0 DGADLP Nc1ccc(F)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001222167724 1095472854 /nfs/dbraw/zinc/47/28/54/1095472854.db2.gz PSZWYTNTSFUUJL-GOSISDBHSA-N 2 2 323.431 3.293 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222172705 1095478840 /nfs/dbraw/zinc/47/88/40/1095478840.db2.gz NDUFCHNJEHDXMS-IBGZPJMESA-N 3 2 312.461 3.080 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222172705 1095478845 /nfs/dbraw/zinc/47/88/45/1095478845.db2.gz NDUFCHNJEHDXMS-IBGZPJMESA-N 3 2 312.461 3.080 20 0 DGADLP Cc1c(O)cccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001144118942 1095519351 /nfs/dbraw/zinc/51/93/51/1095519351.db2.gz MOBVVFAWFPAXOU-UHFFFAOYSA-N 2 2 306.425 3.099 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222271828 1095522673 /nfs/dbraw/zinc/52/26/73/1095522673.db2.gz KXQAFCUIHKMZLF-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222271828 1095522684 /nfs/dbraw/zinc/52/26/84/1095522684.db2.gz KXQAFCUIHKMZLF-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP Oc1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]4)C3)cc2)cc1 ZINC001222287219 1095531169 /nfs/dbraw/zinc/53/11/69/1095531169.db2.gz DDWJDHHKXNSTHH-FQEVSTJZSA-N 2 2 308.425 3.387 20 0 DGADLP Oc1ccc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]4)C3)cc2)cc1 ZINC001222287219 1095531173 /nfs/dbraw/zinc/53/11/73/1095531173.db2.gz DDWJDHHKXNSTHH-FQEVSTJZSA-N 2 2 308.425 3.387 20 0 DGADLP CCOc1ccc(F)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1F ZINC001222315307 1095546227 /nfs/dbraw/zinc/54/62/27/1095546227.db2.gz MVNJACHHQSSGQG-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1ccc(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1F ZINC001222315307 1095546239 /nfs/dbraw/zinc/54/62/39/1095546239.db2.gz MVNJACHHQSSGQG-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP COc1c(F)c(C)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001222322159 1095549353 /nfs/dbraw/zinc/54/93/53/1095549353.db2.gz JEEMIJMOVMIBIB-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP COc1c(F)c(C)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001222322159 1095549363 /nfs/dbraw/zinc/54/93/63/1095549363.db2.gz JEEMIJMOVMIBIB-MRXNPFEDSA-N 2 2 314.404 3.343 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3cc[nH]c3n2)C2CCCC2)CC1 ZINC001144186929 1095557026 /nfs/dbraw/zinc/55/70/26/1095557026.db2.gz OCXBUEFTZDKYIY-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3cc[nH]c3n2)C2CCCC2)CC1 ZINC001144186929 1095557037 /nfs/dbraw/zinc/55/70/37/1095557037.db2.gz OCXBUEFTZDKYIY-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222345025 1095563867 /nfs/dbraw/zinc/56/38/67/1095563867.db2.gz GVMJNRAXROTAPZ-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222345025 1095563881 /nfs/dbraw/zinc/56/38/81/1095563881.db2.gz GVMJNRAXROTAPZ-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP c1ccc(-c2ccccc2C[N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222365441 1095575443 /nfs/dbraw/zinc/57/54/43/1095575443.db2.gz BLTRMSWKLRCWHS-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2ccccc2C[N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222365441 1095575448 /nfs/dbraw/zinc/57/54/48/1095575448.db2.gz BLTRMSWKLRCWHS-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP COc1ccc(-c2cccc(C[NH+]3CC4(C3)CC[NH2+]C4)c2)cc1 ZINC001222379481 1095580288 /nfs/dbraw/zinc/58/02/88/1095580288.db2.gz AFNGWTQMELRDDA-UHFFFAOYSA-N 2 2 308.425 3.158 20 0 DGADLP Fc1ccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222385385 1095584820 /nfs/dbraw/zinc/58/48/20/1095584820.db2.gz LSNLGRKRKKDAFO-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1ccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222385385 1095584830 /nfs/dbraw/zinc/58/48/30/1095584830.db2.gz LSNLGRKRKKDAFO-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2n1 ZINC001222390056 1095587806 /nfs/dbraw/zinc/58/78/06/1095587806.db2.gz KXOSSDPENVFDHI-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Clc1ccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2n1 ZINC001222390056 1095587814 /nfs/dbraw/zinc/58/78/14/1095587814.db2.gz KXOSSDPENVFDHI-KRWDZBQOSA-N 2 2 318.852 3.324 20 0 DGADLP Oc1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2cccnc12 ZINC001222396819 1095592299 /nfs/dbraw/zinc/59/22/99/1095592299.db2.gz WEAUPFJWLQNDPT-LJQANCHMSA-N 2 2 311.429 3.049 20 0 DGADLP Oc1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2cccnc12 ZINC001222396819 1095592306 /nfs/dbraw/zinc/59/23/06/1095592306.db2.gz WEAUPFJWLQNDPT-LJQANCHMSA-N 2 2 311.429 3.049 20 0 DGADLP COc1cccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222396271 1095592728 /nfs/dbraw/zinc/59/27/28/1095592728.db2.gz QCRJOLISICKGGO-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP COc1cccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222396271 1095592737 /nfs/dbraw/zinc/59/27/37/1095592737.db2.gz QCRJOLISICKGGO-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP CCc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001144321817 1095604297 /nfs/dbraw/zinc/60/42/97/1095604297.db2.gz ZWCNJSFPFBXMGS-SFTDATJTSA-N 2 2 321.468 3.208 20 0 DGADLP CCOC(=[NH2+])c1ccc(-c2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001222493060 1095639368 /nfs/dbraw/zinc/63/93/68/1095639368.db2.gz HUSCALXLGJDLAI-UHFFFAOYSA-N 2 2 312.417 3.008 20 0 DGADLP Clc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c2n1 ZINC001144406277 1095645333 /nfs/dbraw/zinc/64/53/33/1095645333.db2.gz ZRCKCBHRWVFJRP-UHFFFAOYSA-N 2 2 318.852 3.277 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137772900 1095738753 /nfs/dbraw/zinc/73/87/53/1095738753.db2.gz OFUYVBUJRHCSRH-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137772900 1095738765 /nfs/dbraw/zinc/73/87/65/1095738765.db2.gz OFUYVBUJRHCSRH-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001144729376 1095785947 /nfs/dbraw/zinc/78/59/47/1095785947.db2.gz MJBKMNBWJDKJKP-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4scnc4c3)C[C@@H]2C1 ZINC001144743822 1095806717 /nfs/dbraw/zinc/80/67/17/1095806717.db2.gz BLBPBRYQZKYMLV-GJZGRUSLSA-N 2 2 301.459 3.070 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3cccc(C(F)(F)F)c3F)C2)CC1 ZINC001138011995 1095833341 /nfs/dbraw/zinc/83/33/41/1095833341.db2.gz QECRGWXTGORUDV-UHFFFAOYSA-N 2 2 316.342 3.372 20 0 DGADLP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC001276872248 1095904170 /nfs/dbraw/zinc/90/41/70/1095904170.db2.gz FJWPKOBSWYVJRY-UHFFFAOYSA-N 3 2 324.472 3.180 20 0 DGADLP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC001276872248 1095904184 /nfs/dbraw/zinc/90/41/84/1095904184.db2.gz FJWPKOBSWYVJRY-UHFFFAOYSA-N 3 2 324.472 3.180 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001118103323 1095935894 /nfs/dbraw/zinc/93/58/94/1095935894.db2.gz SDEVOGQVPBPLTE-OLZOCXBDSA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001118103323 1095935900 /nfs/dbraw/zinc/93/59/00/1095935900.db2.gz SDEVOGQVPBPLTE-OLZOCXBDSA-N 2 2 316.276 3.259 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001340513662 1095966532 /nfs/dbraw/zinc/96/65/32/1095966532.db2.gz HLONEGDWSMHXIH-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001340513662 1095966538 /nfs/dbraw/zinc/96/65/38/1095966538.db2.gz HLONEGDWSMHXIH-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc3nonc3c2)[nH+]1 ZINC001118304266 1095979088 /nfs/dbraw/zinc/97/90/88/1095979088.db2.gz COAZSVGSNYFQLZ-HNNXBMFYSA-N 2 2 323.400 3.003 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc3nonc3c2)[nH+]1 ZINC001118304266 1095979092 /nfs/dbraw/zinc/97/90/92/1095979092.db2.gz COAZSVGSNYFQLZ-HNNXBMFYSA-N 2 2 323.400 3.003 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)[C@@H]1CCCC[NH2+]C1 ZINC001246838164 1096021539 /nfs/dbraw/zinc/02/15/39/1096021539.db2.gz BOOZTXLLXFSGON-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCCC[NH2+]C1 ZINC001246838164 1096021549 /nfs/dbraw/zinc/02/15/49/1096021549.db2.gz BOOZTXLLXFSGON-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP c1[nH]c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC001118578893 1096040698 /nfs/dbraw/zinc/04/06/98/1096040698.db2.gz NUIDEUQFXQHYAL-QGZVFWFLSA-N 2 2 324.472 3.288 20 0 DGADLP c1[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nc1-c1ccccc1 ZINC001118578893 1096040709 /nfs/dbraw/zinc/04/07/09/1096040709.db2.gz NUIDEUQFXQHYAL-QGZVFWFLSA-N 2 2 324.472 3.288 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC001171285658 1096106149 /nfs/dbraw/zinc/10/61/49/1096106149.db2.gz UFIKQVXAECOPEE-CYBMUJFWSA-N 2 2 319.836 3.082 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@@H+]1C ZINC001119507834 1096216232 /nfs/dbraw/zinc/21/62/32/1096216232.db2.gz RDNPGFJAZZGKPH-UKRRQHHQSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@H+]1C ZINC001119507834 1096216237 /nfs/dbraw/zinc/21/62/37/1096216237.db2.gz RDNPGFJAZZGKPH-UKRRQHHQSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507834 1096216242 /nfs/dbraw/zinc/21/62/42/1096216242.db2.gz RDNPGFJAZZGKPH-UKRRQHHQSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507834 1096216247 /nfs/dbraw/zinc/21/62/47/1096216247.db2.gz RDNPGFJAZZGKPH-UKRRQHHQSA-N 2 2 312.404 3.245 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(-n3cc4ccc(C[NH3+])cc4n3)cc21 ZINC001171324283 1096332224 /nfs/dbraw/zinc/33/22/24/1096332224.db2.gz WQAXRELIKYAKRI-UHFFFAOYSA-N 2 2 318.424 3.485 20 0 DGADLP CCCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001277119336 1096663082 /nfs/dbraw/zinc/66/30/82/1096663082.db2.gz KUURWEUHLFPBTB-UHFFFAOYSA-N 2 2 303.450 3.049 20 0 DGADLP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171411013 1096698261 /nfs/dbraw/zinc/69/82/61/1096698261.db2.gz ZOKRAMUDCGQVJO-DLBZAZTESA-N 2 2 322.497 3.145 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCC3(c4ccccc4)CC3)c2)C1 ZINC001171465289 1096894506 /nfs/dbraw/zinc/89/45/06/1096894506.db2.gz LDUJALNYKJLUDU-LJQANCHMSA-N 2 2 321.468 3.363 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCC3(c4ccccc4)CC3)c2)C1 ZINC001171465289 1096894514 /nfs/dbraw/zinc/89/45/14/1096894514.db2.gz LDUJALNYKJLUDU-LJQANCHMSA-N 2 2 321.468 3.363 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494686 1096899483 /nfs/dbraw/zinc/89/94/83/1096899483.db2.gz BENRIQKPOPTRFF-OAHLLOKOSA-N 2 2 305.372 3.041 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494686 1096899489 /nfs/dbraw/zinc/89/94/89/1096899489.db2.gz BENRIQKPOPTRFF-OAHLLOKOSA-N 2 2 305.372 3.041 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001171521242 1096917385 /nfs/dbraw/zinc/91/73/85/1096917385.db2.gz RLJKMWBJWUDKLS-KGLIPLIRSA-N 2 2 324.390 3.035 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001171521242 1096917387 /nfs/dbraw/zinc/91/73/87/1096917387.db2.gz RLJKMWBJWUDKLS-KGLIPLIRSA-N 2 2 324.390 3.035 20 0 DGADLP COc1cccc2c1OC[C@@H]2[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628535 1096928870 /nfs/dbraw/zinc/92/88/70/1096928870.db2.gz AAPTYJHQIUBXOJ-HNNXBMFYSA-N 2 2 318.461 3.370 20 0 DGADLP CC(C)Oc1nccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171627527 1096938562 /nfs/dbraw/zinc/93/85/62/1096938562.db2.gz USIPSEDFYWYXMX-UHFFFAOYSA-N 2 2 320.481 3.005 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171811939 1096984925 /nfs/dbraw/zinc/98/49/25/1096984925.db2.gz JIZPWKBMTDSIHK-HZPDHXFCSA-N 2 2 312.388 3.150 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171811939 1096984930 /nfs/dbraw/zinc/98/49/30/1096984930.db2.gz JIZPWKBMTDSIHK-HZPDHXFCSA-N 2 2 312.388 3.150 20 0 DGADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H]2CO3)CC[N@@H+]1Cc1ccccc1 ZINC001171990132 1097015847 /nfs/dbraw/zinc/01/58/47/1097015847.db2.gz KQXLEVDQNHMIIH-GUDVDZBRSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H]2CO3)CC[N@H+]1Cc1ccccc1 ZINC001171990132 1097015851 /nfs/dbraw/zinc/01/58/51/1097015851.db2.gz KQXLEVDQNHMIIH-GUDVDZBRSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2C[C@H]3CC[C@@H]2CO3)CC[NH+]1Cc1ccccc1 ZINC001171990132 1097015856 /nfs/dbraw/zinc/01/58/56/1097015856.db2.gz KQXLEVDQNHMIIH-GUDVDZBRSA-N 2 2 314.473 3.293 20 0 DGADLP CC1(C)C[C@H]([N@H+]2C[C@H]3CC[C@@H]2CO3)CC[NH+]1Cc1ccccc1 ZINC001171990132 1097015863 /nfs/dbraw/zinc/01/58/63/1097015863.db2.gz KQXLEVDQNHMIIH-GUDVDZBRSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976688 1097025177 /nfs/dbraw/zinc/02/51/77/1097025177.db2.gz MMNRPAVHOKOTCQ-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976688 1097025183 /nfs/dbraw/zinc/02/51/83/1097025183.db2.gz MMNRPAVHOKOTCQ-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976688 1097025189 /nfs/dbraw/zinc/02/51/89/1097025189.db2.gz MMNRPAVHOKOTCQ-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976688 1097025193 /nfs/dbraw/zinc/02/51/93/1097025193.db2.gz MMNRPAVHOKOTCQ-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP CCN(C1C[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986823 1097029645 /nfs/dbraw/zinc/02/96/45/1097029645.db2.gz MRTPXIIQCSGWEH-GOSISDBHSA-N 2 2 315.505 3.066 20 0 DGADLP CCN(C1C[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986823 1097029649 /nfs/dbraw/zinc/02/96/49/1097029649.db2.gz MRTPXIIQCSGWEH-GOSISDBHSA-N 2 2 315.505 3.066 20 0 DGADLP CC[N@H+](C1CN(C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986823 1097029653 /nfs/dbraw/zinc/02/96/53/1097029653.db2.gz MRTPXIIQCSGWEH-GOSISDBHSA-N 2 2 315.505 3.066 20 0 DGADLP CC[N@@H+](C1CN(C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171986823 1097029660 /nfs/dbraw/zinc/02/96/60/1097029660.db2.gz MRTPXIIQCSGWEH-GOSISDBHSA-N 2 2 315.505 3.066 20 0 DGADLP CC[NH+](C1CN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986823 1097029663 /nfs/dbraw/zinc/02/96/63/1097029663.db2.gz MRTPXIIQCSGWEH-GOSISDBHSA-N 2 2 315.505 3.066 20 0 DGADLP CC[NH+](C1CN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986823 1097029668 /nfs/dbraw/zinc/02/96/68/1097029668.db2.gz MRTPXIIQCSGWEH-GOSISDBHSA-N 2 2 315.505 3.066 20 0 DGADLP c1nocc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064243 1097043834 /nfs/dbraw/zinc/04/38/34/1097043834.db2.gz GMQMVGRPFQQGED-REPLKXPHSA-N 2 2 311.429 3.350 20 0 DGADLP c1nocc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064243 1097043838 /nfs/dbraw/zinc/04/38/38/1097043838.db2.gz GMQMVGRPFQQGED-REPLKXPHSA-N 2 2 311.429 3.350 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131218 1097049666 /nfs/dbraw/zinc/04/96/66/1097049666.db2.gz VGZKENFSFYHVGX-YRXWBPOGSA-N 2 2 312.457 3.207 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131218 1097049668 /nfs/dbraw/zinc/04/96/68/1097049668.db2.gz VGZKENFSFYHVGX-YRXWBPOGSA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131218 1097049672 /nfs/dbraw/zinc/04/96/72/1097049672.db2.gz VGZKENFSFYHVGX-YRXWBPOGSA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131218 1097049675 /nfs/dbraw/zinc/04/96/75/1097049675.db2.gz VGZKENFSFYHVGX-YRXWBPOGSA-N 2 2 312.457 3.207 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC001172278927 1097088913 /nfs/dbraw/zinc/08/89/13/1097088913.db2.gz KEIQOCAFWCYAMA-QGZVFWFLSA-N 2 2 320.452 3.256 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206163850 1097093637 /nfs/dbraw/zinc/09/36/37/1097093637.db2.gz GRRCTUQTUGWUBC-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206163850 1097093642 /nfs/dbraw/zinc/09/36/42/1097093642.db2.gz GRRCTUQTUGWUBC-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)c1 ZINC001172383323 1097141223 /nfs/dbraw/zinc/14/12/23/1097141223.db2.gz PEGGOCXOYCNLHG-OWCLPIDISA-N 2 2 303.450 3.037 20 0 DGADLP Cc1ccc(N([C@@H](C)CCOCC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172479901 1097149569 /nfs/dbraw/zinc/14/95/69/1097149569.db2.gz LEZSEIVLCQTZGO-KRWDZBQOSA-N 2 2 319.493 3.400 20 0 DGADLP Cc1ccc(N([C@H](C)CCOCC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172479902 1097149592 /nfs/dbraw/zinc/14/95/92/1097149592.db2.gz LEZSEIVLCQTZGO-QGZVFWFLSA-N 2 2 319.493 3.400 20 0 DGADLP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172436970 1097153197 /nfs/dbraw/zinc/15/31/97/1097153197.db2.gz KWHOOGVNTJJWFY-HKUYNNGSSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172436970 1097153200 /nfs/dbraw/zinc/15/32/00/1097153200.db2.gz KWHOOGVNTJJWFY-HKUYNNGSSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173552 1097213855 /nfs/dbraw/zinc/21/38/55/1097213855.db2.gz IEHNYGSFZIJLNN-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173552 1097213858 /nfs/dbraw/zinc/21/38/58/1097213858.db2.gz IEHNYGSFZIJLNN-ZIAGYGMSSA-N 2 2 315.230 3.019 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001172716084 1097213894 /nfs/dbraw/zinc/21/38/94/1097213894.db2.gz KRXAAFHVZRHXII-ROUUACIJSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001172716084 1097213896 /nfs/dbraw/zinc/21/38/96/1097213896.db2.gz KRXAAFHVZRHXII-ROUUACIJSA-N 2 2 304.865 3.271 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172752176 1097226112 /nfs/dbraw/zinc/22/61/12/1097226112.db2.gz KLJOTUXUJIZICJ-CQSZACIVSA-N 2 2 315.417 3.302 20 0 DGADLP CC(C)OC(=O)CC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172752175 1097226319 /nfs/dbraw/zinc/22/63/19/1097226319.db2.gz KLJOTUXUJIZICJ-AWEZNQCLSA-N 2 2 315.417 3.302 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172844134 1097259582 /nfs/dbraw/zinc/25/95/82/1097259582.db2.gz BRECSXNHOJYVBT-OCCSQVGLSA-N 2 2 310.844 3.484 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172844134 1097259586 /nfs/dbraw/zinc/25/95/86/1097259586.db2.gz BRECSXNHOJYVBT-OCCSQVGLSA-N 2 2 310.844 3.484 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H](C)Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC001172846921 1097260721 /nfs/dbraw/zinc/26/07/21/1097260721.db2.gz IVRMBSILCNOVHR-NSHDSACASA-N 2 2 321.827 3.476 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCOc1cc[nH+]cc1 ZINC001172849808 1097261904 /nfs/dbraw/zinc/26/19/04/1097261904.db2.gz QAMXXVMIZXGYAA-LBPRGKRZSA-N 2 2 308.784 3.474 20 0 DGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001172875044 1097272654 /nfs/dbraw/zinc/27/26/54/1097272654.db2.gz HBKUDGWZWUUVBN-LBPRGKRZSA-N 2 2 309.866 3.386 20 0 DGADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173044695 1097311397 /nfs/dbraw/zinc/31/13/97/1097311397.db2.gz HZVPYKRXLHKFGP-SFHVURJKSA-N 2 2 306.494 3.190 20 0 DGADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173044695 1097311400 /nfs/dbraw/zinc/31/14/00/1097311400.db2.gz HZVPYKRXLHKFGP-SFHVURJKSA-N 2 2 306.494 3.190 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Cl ZINC001206190235 1097329466 /nfs/dbraw/zinc/32/94/66/1097329466.db2.gz ZWAREOYVODGXGJ-CABCVRRESA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Cl ZINC001206190235 1097329471 /nfs/dbraw/zinc/32/94/71/1097329471.db2.gz ZWAREOYVODGXGJ-CABCVRRESA-N 2 2 314.832 3.388 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+]CC(F)(F)C(F)(F)F)CC1 ZINC001173104236 1097330192 /nfs/dbraw/zinc/33/01/92/1097330192.db2.gz FIIJCLYRUABESJ-UHFFFAOYSA-N 2 2 302.331 3.427 20 0 DGADLP CCSC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001173302051 1097403530 /nfs/dbraw/zinc/40/35/30/1097403530.db2.gz NUYMZYJWUYEJMR-JQHSSLGASA-N 2 2 322.518 3.007 20 0 DGADLP CCSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001173302051 1097403534 /nfs/dbraw/zinc/40/35/34/1097403534.db2.gz NUYMZYJWUYEJMR-JQHSSLGASA-N 2 2 322.518 3.007 20 0 DGADLP COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001173437825 1097438537 /nfs/dbraw/zinc/43/85/37/1097438537.db2.gz RPDINPWZMVOXCI-OAHLLOKOSA-N 2 2 315.417 3.084 20 0 DGADLP Cc1[nH+]cn(C2Cc3cc(F)c(F)cc3C2)c1CSCC[NH3+] ZINC001173472067 1097443986 /nfs/dbraw/zinc/44/39/86/1097443986.db2.gz CHZKCSBIDAZWPM-UHFFFAOYSA-N 2 2 323.412 3.002 20 0 DGADLP CC[NH+](CC)CCn1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001203256634 1097641424 /nfs/dbraw/zinc/64/14/24/1097641424.db2.gz QDDCWNOOANEHKH-UHFFFAOYSA-N 2 2 324.432 3.154 20 0 DGADLP CC(=O)Nc1cc(NC2=CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001174394113 1097689703 /nfs/dbraw/zinc/68/97/03/1097689703.db2.gz BDMPRAFQPKIVSI-UHFFFAOYSA-N 2 2 322.412 3.242 20 0 DGADLP CC(=O)Nc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001174394113 1097689706 /nfs/dbraw/zinc/68/97/06/1097689706.db2.gz BDMPRAFQPKIVSI-UHFFFAOYSA-N 2 2 322.412 3.242 20 0 DGADLP COCC[N@H+](Cc1ccc(C)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001231423242 1097746133 /nfs/dbraw/zinc/74/61/33/1097746133.db2.gz XAYVQUUWAFRNMJ-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP COCC[N@@H+](Cc1ccc(C)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001231423242 1097746138 /nfs/dbraw/zinc/74/61/38/1097746138.db2.gz XAYVQUUWAFRNMJ-UHFFFAOYSA-N 2 2 310.869 3.191 20 0 DGADLP c1[nH]c2cccnc2c1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001231485883 1097760302 /nfs/dbraw/zinc/76/03/02/1097760302.db2.gz CSBVZDLDPPCCCN-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3cnccc23)C2CCCC2)CC1 ZINC001231519844 1097771046 /nfs/dbraw/zinc/77/10/46/1097771046.db2.gz KBJGPXLGJMBCJZ-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3cnccc23)C2CCCC2)CC1 ZINC001231519844 1097771051 /nfs/dbraw/zinc/77/10/51/1097771051.db2.gz KBJGPXLGJMBCJZ-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CCc1ccc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)nc1 ZINC001231642459 1097799332 /nfs/dbraw/zinc/79/93/32/1097799332.db2.gz YPPYOEMLKVJGQG-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CCc1ccc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)nc1 ZINC001231642459 1097799335 /nfs/dbraw/zinc/79/93/35/1097799335.db2.gz YPPYOEMLKVJGQG-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CCc1[nH+]ccc(C)c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174815347 1097845687 /nfs/dbraw/zinc/84/56/87/1097845687.db2.gz WLWSUXBYRMEKSX-UHFFFAOYSA-N 2 2 310.445 3.448 20 0 DGADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(O)cc1F)CC2 ZINC001277574697 1097858296 /nfs/dbraw/zinc/85/82/96/1097858296.db2.gz IKZLVMVZBPUOEZ-UHFFFAOYSA-N 2 2 312.816 3.102 20 0 DGADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)c(O)cc1F)CC2 ZINC001277574697 1097858304 /nfs/dbraw/zinc/85/83/04/1097858304.db2.gz IKZLVMVZBPUOEZ-UHFFFAOYSA-N 2 2 312.816 3.102 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894168 1097882276 /nfs/dbraw/zinc/88/22/76/1097882276.db2.gz ROLZYEXCINGNBW-AWEZNQCLSA-N 2 2 319.355 3.376 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231894168 1097882283 /nfs/dbraw/zinc/88/22/83/1097882283.db2.gz ROLZYEXCINGNBW-AWEZNQCLSA-N 2 2 319.355 3.376 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979022 1097906323 /nfs/dbraw/zinc/90/63/23/1097906323.db2.gz OPAQINCFMDXNTQ-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979022 1097906326 /nfs/dbraw/zinc/90/63/26/1097906326.db2.gz OPAQINCFMDXNTQ-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979022 1097906330 /nfs/dbraw/zinc/90/63/30/1097906330.db2.gz OPAQINCFMDXNTQ-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001231979022 1097906334 /nfs/dbraw/zinc/90/63/34/1097906334.db2.gz OPAQINCFMDXNTQ-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccc([Si](C)(C)C)cc3)C[C@]2(C)C1 ZINC001175069511 1097918752 /nfs/dbraw/zinc/91/87/52/1097918752.db2.gz DGFDLSNVXFQXDG-KDURUIRLSA-N 2 2 316.565 3.005 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](Cc3ccc([Si](C)(C)C)cc3)C[C@]2(C)C1 ZINC001175069511 1097918756 /nfs/dbraw/zinc/91/87/56/1097918756.db2.gz DGFDLSNVXFQXDG-KDURUIRLSA-N 2 2 316.565 3.005 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccc([Si](C)(C)C)cc3)C[C@]2(C)C1 ZINC001175069511 1097918760 /nfs/dbraw/zinc/91/87/60/1097918760.db2.gz DGFDLSNVXFQXDG-KDURUIRLSA-N 2 2 316.565 3.005 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccc([Si](C)(C)C)cc3)C[C@]2(C)C1 ZINC001175069511 1097918763 /nfs/dbraw/zinc/91/87/63/1097918763.db2.gz DGFDLSNVXFQXDG-KDURUIRLSA-N 2 2 316.565 3.005 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001232398915 1098027251 /nfs/dbraw/zinc/02/72/51/1098027251.db2.gz PIHBTKAKWSNDFO-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001232398915 1098027256 /nfs/dbraw/zinc/02/72/56/1098027256.db2.gz PIHBTKAKWSNDFO-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OC(C)C)C[C@@H]2C1 ZINC001232399659 1098029097 /nfs/dbraw/zinc/02/90/97/1098029097.db2.gz XLHAADVMWJJINE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OC(C)C)C[C@@H]2C1 ZINC001232399659 1098029100 /nfs/dbraw/zinc/02/91/00/1098029100.db2.gz XLHAADVMWJJINE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3OC(C)C)C[C@@H]2C1 ZINC001232399659 1098029108 /nfs/dbraw/zinc/02/91/08/1098029108.db2.gz XLHAADVMWJJINE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3OC(C)C)C[C@@H]2C1 ZINC001232399659 1098029114 /nfs/dbraw/zinc/02/91/14/1098029114.db2.gz XLHAADVMWJJINE-HDICACEKSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)c[nH+]1 ZINC001232459351 1098043589 /nfs/dbraw/zinc/04/35/89/1098043589.db2.gz CTCRWHVCRGVWNW-KRWDZBQOSA-N 2 2 311.429 3.257 20 0 DGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)OCc2cc(Cl)ccc23)c[nH+]1 ZINC001232464762 1098045425 /nfs/dbraw/zinc/04/54/25/1098045425.db2.gz LBEYDTBNDOXOEO-UHFFFAOYSA-N 2 2 317.820 3.393 20 0 DGADLP Nc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232511201 1098064664 /nfs/dbraw/zinc/06/46/64/1098064664.db2.gz YDYMFFIHGJKYTK-KRWDZBQOSA-N 2 2 305.441 3.248 20 0 DGADLP Nc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001232511201 1098064666 /nfs/dbraw/zinc/06/46/66/1098064666.db2.gz YDYMFFIHGJKYTK-KRWDZBQOSA-N 2 2 305.441 3.248 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232868965 1098157903 /nfs/dbraw/zinc/15/79/03/1098157903.db2.gz UYRJETURZCIRQL-INIZCTEOSA-N 2 2 323.396 3.230 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232868965 1098157907 /nfs/dbraw/zinc/15/79/07/1098157907.db2.gz UYRJETURZCIRQL-INIZCTEOSA-N 2 2 323.396 3.230 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232903059 1098169565 /nfs/dbraw/zinc/16/95/65/1098169565.db2.gz DEZONQXFTPSPHZ-WOJBJXKFSA-N 2 2 307.441 3.132 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232903059 1098169567 /nfs/dbraw/zinc/16/95/67/1098169567.db2.gz DEZONQXFTPSPHZ-WOJBJXKFSA-N 2 2 307.441 3.132 20 0 DGADLP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881125 1098185700 /nfs/dbraw/zinc/18/57/00/1098185700.db2.gz JVIZGVSQSZDYHB-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP Oc1cnc(Cl)cc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233035529 1098209067 /nfs/dbraw/zinc/20/90/67/1098209067.db2.gz FJAFLMSLUMGXSW-HNNXBMFYSA-N 2 2 323.868 3.281 20 0 DGADLP Oc1cnc(Cl)cc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233035529 1098209072 /nfs/dbraw/zinc/20/90/72/1098209072.db2.gz FJAFLMSLUMGXSW-HNNXBMFYSA-N 2 2 323.868 3.281 20 0 DGADLP [NH3+]Cc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001175966284 1098213850 /nfs/dbraw/zinc/21/38/50/1098213850.db2.gz NGAMXZJLRNVPQA-UHFFFAOYSA-N 2 2 317.190 3.299 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc(O)c2F)C2CCCC2)CC1 ZINC001233054988 1098216205 /nfs/dbraw/zinc/21/62/05/1098216205.db2.gz IPBCJRAIOXEWKM-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc(O)c2F)C2CCCC2)CC1 ZINC001233054988 1098216209 /nfs/dbraw/zinc/21/62/09/1098216209.db2.gz IPBCJRAIOXEWKM-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001233228160 1098256379 /nfs/dbraw/zinc/25/63/79/1098256379.db2.gz LFOSWVADEGSECN-UHFFFAOYSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001233228160 1098256386 /nfs/dbraw/zinc/25/63/86/1098256386.db2.gz LFOSWVADEGSECN-UHFFFAOYSA-N 2 2 318.461 3.097 20 0 DGADLP Cc1cnsc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001233318408 1098286843 /nfs/dbraw/zinc/28/68/43/1098286843.db2.gz BSRIXOZFSOGKCE-KBPBESRZSA-N 2 2 319.499 3.077 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]c(Br)c1)C1CC[NH+](C)CC1 ZINC001233438879 1098332850 /nfs/dbraw/zinc/33/28/50/1098332850.db2.gz JKMNGRWTYZGQEB-UHFFFAOYSA-N 2 2 314.271 3.082 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]c(Br)c1)C1CC[NH+](C)CC1 ZINC001233438879 1098332856 /nfs/dbraw/zinc/33/28/56/1098332856.db2.gz JKMNGRWTYZGQEB-UHFFFAOYSA-N 2 2 314.271 3.082 20 0 DGADLP Cc1cc(CC(C)C)[nH+]cc1Nc1cnn(CC[NH+](C)C)c1 ZINC001176447186 1098351816 /nfs/dbraw/zinc/35/18/16/1098351816.db2.gz QIGIUEJBOMVPTR-UHFFFAOYSA-N 2 2 301.438 3.090 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCC[C@H](C)C1 ZINC001177261412 1098507814 /nfs/dbraw/zinc/50/78/14/1098507814.db2.gz DNFRCHVXFDPYKT-GJZGRUSLSA-N 2 2 318.490 3.144 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1)C2 ZINC001177673867 1098575784 /nfs/dbraw/zinc/57/57/84/1098575784.db2.gz AQRNZHXTSURMMG-NVXWUHKLSA-N 2 2 313.445 3.065 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001177822464 1098607876 /nfs/dbraw/zinc/60/78/76/1098607876.db2.gz KDMCSHJXCQRNNM-ZWKOTPCHSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC001177822464 1098607881 /nfs/dbraw/zinc/60/78/81/1098607881.db2.gz KDMCSHJXCQRNNM-ZWKOTPCHSA-N 2 2 302.462 3.017 20 0 DGADLP Cc1[nH]c(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c(C)[nH+]1 ZINC001234654960 1098633399 /nfs/dbraw/zinc/63/33/99/1098633399.db2.gz MNFWBOYSROWKOZ-FQEVSTJZSA-N 2 2 324.472 3.222 20 0 DGADLP CC/C=C\CC[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893898 1098667604 /nfs/dbraw/zinc/66/76/04/1098667604.db2.gz RLHPYZYNQKEWRX-QWGSZXSUSA-N 2 2 317.477 3.413 20 0 DGADLP CCCCc1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001235006313 1098747361 /nfs/dbraw/zinc/74/73/61/1098747361.db2.gz HERPYEJIFBHUIY-GOSISDBHSA-N 2 2 322.518 3.293 20 0 DGADLP CCCCc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001235006313 1098747369 /nfs/dbraw/zinc/74/73/69/1098747369.db2.gz HERPYEJIFBHUIY-GOSISDBHSA-N 2 2 322.518 3.293 20 0 DGADLP c1cc2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001235023287 1098754710 /nfs/dbraw/zinc/75/47/10/1098754710.db2.gz UNEZPQCNGCYOCI-SFHVURJKSA-N 2 2 316.470 3.103 20 0 DGADLP c1cc2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2s1 ZINC001235023287 1098754720 /nfs/dbraw/zinc/75/47/20/1098754720.db2.gz UNEZPQCNGCYOCI-SFHVURJKSA-N 2 2 316.470 3.103 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)C1CC1 ZINC001235020811 1098755251 /nfs/dbraw/zinc/75/52/51/1098755251.db2.gz RVGPXTWVVMBITN-UHFFFAOYSA-N 2 2 306.207 3.229 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Br)c1)C1CC1 ZINC001235020811 1098755258 /nfs/dbraw/zinc/75/52/58/1098755258.db2.gz RVGPXTWVVMBITN-UHFFFAOYSA-N 2 2 306.207 3.229 20 0 DGADLP Fc1ccc(Oc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235025956 1098756603 /nfs/dbraw/zinc/75/66/03/1098756603.db2.gz HLGNBZJARCMRBR-HNAYVOBHSA-N 2 2 312.388 3.412 20 0 DGADLP Fc1ccc(Oc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235025956 1098756614 /nfs/dbraw/zinc/75/66/14/1098756614.db2.gz HLGNBZJARCMRBR-HNAYVOBHSA-N 2 2 312.388 3.412 20 0 DGADLP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038472 1098766088 /nfs/dbraw/zinc/76/60/88/1098766088.db2.gz MZARDDJLXJOQSF-SFHVURJKSA-N 2 2 306.425 3.251 20 0 DGADLP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235038472 1098766099 /nfs/dbraw/zinc/76/60/99/1098766099.db2.gz MZARDDJLXJOQSF-SFHVURJKSA-N 2 2 306.425 3.251 20 0 DGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2c(c1)CCCO2 ZINC001235037737 1098767038 /nfs/dbraw/zinc/76/70/38/1098767038.db2.gz HUIWOUDYOHBMEO-IBGZPJMESA-N 2 2 318.436 3.259 20 0 DGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2c(c1)CCCO2 ZINC001235037737 1098767046 /nfs/dbraw/zinc/76/70/46/1098767046.db2.gz HUIWOUDYOHBMEO-IBGZPJMESA-N 2 2 318.436 3.259 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235038541 1098768018 /nfs/dbraw/zinc/76/80/18/1098768018.db2.gz JXAPWDYRYJEHFG-SFHVURJKSA-N 2 2 306.425 3.333 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)c1 ZINC001235038541 1098768028 /nfs/dbraw/zinc/76/80/28/1098768028.db2.gz JXAPWDYRYJEHFG-SFHVURJKSA-N 2 2 306.425 3.333 20 0 DGADLP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041065 1098769947 /nfs/dbraw/zinc/76/99/47/1098769947.db2.gz XKTSXQAHKAFJPP-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041065 1098769951 /nfs/dbraw/zinc/76/99/51/1098769951.db2.gz XKTSXQAHKAFJPP-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111781 1098811850 /nfs/dbraw/zinc/81/18/50/1098811850.db2.gz VKYZQFFIUXSQIA-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111781 1098811866 /nfs/dbraw/zinc/81/18/66/1098811866.db2.gz VKYZQFFIUXSQIA-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP CCCOc1cc(F)ccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235144390 1098833867 /nfs/dbraw/zinc/83/38/67/1098833867.db2.gz KQQOZGIOMAMVPE-UHFFFAOYSA-N 2 2 306.425 3.333 20 0 DGADLP CCCOc1cc(F)ccc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235144390 1098833874 /nfs/dbraw/zinc/83/38/74/1098833874.db2.gz KQQOZGIOMAMVPE-UHFFFAOYSA-N 2 2 306.425 3.333 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170274 1098853493 /nfs/dbraw/zinc/85/34/93/1098853493.db2.gz DKUBKTAOTLUWAM-QGZVFWFLSA-N 2 2 310.388 3.396 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170274 1098853497 /nfs/dbraw/zinc/85/34/97/1098853497.db2.gz DKUBKTAOTLUWAM-QGZVFWFLSA-N 2 2 310.388 3.396 20 0 DGADLP c1cc(-c2cccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2)n[nH]1 ZINC001235178110 1098859510 /nfs/dbraw/zinc/85/95/10/1098859510.db2.gz VAZQPCINKUIUQQ-LJQANCHMSA-N 2 2 310.445 3.185 20 0 DGADLP c1cc(-c2cccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2)n[nH]1 ZINC001235178110 1098859516 /nfs/dbraw/zinc/85/95/16/1098859516.db2.gz VAZQPCINKUIUQQ-LJQANCHMSA-N 2 2 310.445 3.185 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235197126 1098872087 /nfs/dbraw/zinc/87/20/87/1098872087.db2.gz BBDZXXZHBQPMKL-UKRRQHHQSA-N 2 2 323.278 3.053 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235197126 1098872094 /nfs/dbraw/zinc/87/20/94/1098872094.db2.gz BBDZXXZHBQPMKL-UKRRQHHQSA-N 2 2 323.278 3.053 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc3occc31)C2 ZINC001235232000 1098906613 /nfs/dbraw/zinc/90/66/13/1098906613.db2.gz RRASQVRZBXHHIQ-WFASDCNBSA-N 2 2 310.319 3.017 20 0 DGADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc3occc31)C2 ZINC001235232000 1098906617 /nfs/dbraw/zinc/90/66/17/1098906617.db2.gz RRASQVRZBXHHIQ-WFASDCNBSA-N 2 2 310.319 3.017 20 0 DGADLP Fc1ncc(Cl)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235238758 1098910605 /nfs/dbraw/zinc/91/06/05/1098910605.db2.gz IHEDTORZJUGGGS-OAHLLOKOSA-N 2 2 311.832 3.228 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(Oc3cccnc3)cc1)C2 ZINC001235246526 1098920306 /nfs/dbraw/zinc/92/03/06/1098920306.db2.gz YTCDZMCRLKVNJJ-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(Oc3cccnc3)cc1)C2 ZINC001235246526 1098920316 /nfs/dbraw/zinc/92/03/16/1098920316.db2.gz YTCDZMCRLKVNJJ-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235249611 1098922478 /nfs/dbraw/zinc/92/24/78/1098922478.db2.gz TZBUCOWZGJVSJY-NHCUHLMSSA-N 2 2 322.452 3.417 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235249611 1098922486 /nfs/dbraw/zinc/92/24/86/1098922486.db2.gz TZBUCOWZGJVSJY-NHCUHLMSSA-N 2 2 322.452 3.417 20 0 DGADLP c1nc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2s1 ZINC001179044685 1098999392 /nfs/dbraw/zinc/99/93/92/1098999392.db2.gz NCSSOVGRCVLHIS-ZBFHGGJFSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2s1 ZINC001179044685 1098999407 /nfs/dbraw/zinc/99/94/07/1098999407.db2.gz NCSSOVGRCVLHIS-ZBFHGGJFSA-N 2 2 301.459 3.403 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406247 1099003429 /nfs/dbraw/zinc/00/34/29/1099003429.db2.gz QLAUGCMWDKWKAJ-SJORKVTESA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001235406247 1099003440 /nfs/dbraw/zinc/00/34/40/1099003440.db2.gz QLAUGCMWDKWKAJ-SJORKVTESA-N 2 2 321.827 3.345 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675189 1099117971 /nfs/dbraw/zinc/11/79/71/1099117971.db2.gz KJVIOFZEVWLDMY-GFCCVEGCSA-N 2 2 311.267 3.182 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675189 1099117976 /nfs/dbraw/zinc/11/79/76/1099117976.db2.gz KJVIOFZEVWLDMY-GFCCVEGCSA-N 2 2 311.267 3.182 20 0 DGADLP CC[C@@H]([NH3+])C[NH+]1CCC(Oc2ccc(C(F)(F)F)cc2)CC1 ZINC001235673328 1099116029 /nfs/dbraw/zinc/11/60/29/1099116029.db2.gz CWPYEEOKZANWHX-CYBMUJFWSA-N 2 2 316.367 3.286 20 0 DGADLP COc1ncc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001235704466 1099138112 /nfs/dbraw/zinc/13/81/12/1099138112.db2.gz LAPKSTREWTVHLJ-UHFFFAOYSA-N 2 2 311.857 3.048 20 0 DGADLP COc1ncc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001235704466 1099138114 /nfs/dbraw/zinc/13/81/14/1099138114.db2.gz LAPKSTREWTVHLJ-UHFFFAOYSA-N 2 2 311.857 3.048 20 0 DGADLP COc1ccc([C@@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235726150 1099148733 /nfs/dbraw/zinc/14/87/33/1099148733.db2.gz NCZWZPFUMRAKET-WMZOPIPTSA-N 2 2 320.502 3.317 20 0 DGADLP COc1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001235726150 1099148738 /nfs/dbraw/zinc/14/87/38/1099148738.db2.gz NCZWZPFUMRAKET-WMZOPIPTSA-N 2 2 320.502 3.317 20 0 DGADLP CC[N@H+](Cc1c(F)cccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235760634 1099168673 /nfs/dbraw/zinc/16/86/73/1099168673.db2.gz GUIWQKVVUQOVSC-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC[N@@H+](Cc1c(F)cccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235760634 1099168675 /nfs/dbraw/zinc/16/86/75/1099168675.db2.gz GUIWQKVVUQOVSC-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP COCCC[N@H+](Cc1ccccc1C(F)F)[C@H]1CCC[NH2+]C1 ZINC001235805282 1099187847 /nfs/dbraw/zinc/18/78/47/1099187847.db2.gz CVLWNQYKNVABQN-HNNXBMFYSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@@H+](Cc1ccccc1C(F)F)[C@H]1CCC[NH2+]C1 ZINC001235805282 1099187849 /nfs/dbraw/zinc/18/78/49/1099187849.db2.gz CVLWNQYKNVABQN-HNNXBMFYSA-N 2 2 312.404 3.215 20 0 DGADLP COCCC[N@H+](Cc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC001235807812 1099188791 /nfs/dbraw/zinc/18/87/91/1099188791.db2.gz XEUIRDWMIVYDBL-LJQANCHMSA-N 2 2 316.489 3.156 20 0 DGADLP COCCC[N@@H+](Cc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC001235807812 1099188801 /nfs/dbraw/zinc/18/88/01/1099188801.db2.gz XEUIRDWMIVYDBL-LJQANCHMSA-N 2 2 316.489 3.156 20 0 DGADLP COCCC[N@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807259 1099189154 /nfs/dbraw/zinc/18/91/54/1099189154.db2.gz NQCSXNSPJUYWBK-SFHVURJKSA-N 2 2 320.477 3.064 20 0 DGADLP COCCC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001235807259 1099189156 /nfs/dbraw/zinc/18/91/56/1099189156.db2.gz NQCSXNSPJUYWBK-SFHVURJKSA-N 2 2 320.477 3.064 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235842608 1099207065 /nfs/dbraw/zinc/20/70/65/1099207065.db2.gz PSQLPOHOXKKBRN-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235842608 1099207071 /nfs/dbraw/zinc/20/70/71/1099207071.db2.gz PSQLPOHOXKKBRN-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP Fc1ccc([C@H]2CSCC[N@@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235865839 1099227061 /nfs/dbraw/zinc/22/70/61/1099227061.db2.gz SJKVAUGAGQIBST-IAGOWNOFSA-N 2 2 308.466 3.448 20 0 DGADLP Fc1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001235865839 1099227068 /nfs/dbraw/zinc/22/70/68/1099227068.db2.gz SJKVAUGAGQIBST-IAGOWNOFSA-N 2 2 308.466 3.448 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cc(O)cc(Cl)c3)c2)C1 ZINC001235903935 1099245564 /nfs/dbraw/zinc/24/55/64/1099245564.db2.gz HMIAHLKYOFVXAG-INIZCTEOSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cc(O)cc(Cl)c3)c2)C1 ZINC001235903935 1099245568 /nfs/dbraw/zinc/24/55/68/1099245568.db2.gz HMIAHLKYOFVXAG-INIZCTEOSA-N 2 2 302.805 3.246 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc(C(F)(F)F)c1 ZINC001235925877 1099263859 /nfs/dbraw/zinc/26/38/59/1099263859.db2.gz QKTUGIKWIDTGSF-AWEZNQCLSA-N 2 2 316.367 3.417 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc(C(F)(F)F)c1 ZINC001235925877 1099263865 /nfs/dbraw/zinc/26/38/65/1099263865.db2.gz QKTUGIKWIDTGSF-AWEZNQCLSA-N 2 2 316.367 3.417 20 0 DGADLP Fc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(F)c1C(F)(F)F ZINC001235934641 1099268345 /nfs/dbraw/zinc/26/83/45/1099268345.db2.gz CFGVFZJPECAYQL-MNOVXSKESA-N 2 2 320.305 3.025 20 0 DGADLP Fc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(F)c1C(F)(F)F ZINC001235934641 1099268352 /nfs/dbraw/zinc/26/83/52/1099268352.db2.gz CFGVFZJPECAYQL-MNOVXSKESA-N 2 2 320.305 3.025 20 0 DGADLP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(F)c1C(F)(F)F ZINC001235934644 1099268644 /nfs/dbraw/zinc/26/86/44/1099268644.db2.gz CFGVFZJPECAYQL-WDEREUQCSA-N 2 2 320.305 3.025 20 0 DGADLP Fc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(F)c1C(F)(F)F ZINC001235934644 1099268648 /nfs/dbraw/zinc/26/86/48/1099268648.db2.gz CFGVFZJPECAYQL-WDEREUQCSA-N 2 2 320.305 3.025 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c(Cl)nc2c1 ZINC001235940306 1099274103 /nfs/dbraw/zinc/27/41/03/1099274103.db2.gz SDUSEABSLXVFGY-GOEBONIOSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c(Cl)nc2c1 ZINC001235940306 1099274112 /nfs/dbraw/zinc/27/41/12/1099274112.db2.gz SDUSEABSLXVFGY-GOEBONIOSA-N 2 2 315.848 3.238 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1c[nH]c2c1cccc2Br ZINC001235947663 1099281349 /nfs/dbraw/zinc/28/13/49/1099281349.db2.gz MIIZMBMHKBRQBO-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1c[nH]c2c1cccc2Br ZINC001235947663 1099281342 /nfs/dbraw/zinc/28/13/42/1099281342.db2.gz MIIZMBMHKBRQBO-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP C[N@@H+](Cc1c(F)cccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235950631 1099282704 /nfs/dbraw/zinc/28/27/04/1099282704.db2.gz JHAXQBKHBMIVJQ-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1c(F)cccc1C(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC001235950631 1099282712 /nfs/dbraw/zinc/28/27/12/1099282712.db2.gz JHAXQBKHBMIVJQ-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1F)C[C@H]1CCC[NH2+]C1 ZINC001235951371 1099285075 /nfs/dbraw/zinc/28/50/75/1099285075.db2.gz RMDPYJODYLAYKX-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1F)C[C@H]1CCC[NH2+]C1 ZINC001235951371 1099285082 /nfs/dbraw/zinc/28/50/82/1099285082.db2.gz RMDPYJODYLAYKX-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@H]1CCC[NH2+]C1 ZINC001235957645 1099289491 /nfs/dbraw/zinc/28/94/91/1099289491.db2.gz RADGWHSXDSODPO-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@H]1CCC[NH2+]C1 ZINC001235957645 1099289500 /nfs/dbraw/zinc/28/95/00/1099289500.db2.gz RADGWHSXDSODPO-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998257 1099320410 /nfs/dbraw/zinc/32/04/10/1099320410.db2.gz XSIHKYVIHMNFIG-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998257 1099320420 /nfs/dbraw/zinc/32/04/20/1099320420.db2.gz XSIHKYVIHMNFIG-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H](C)C[C@@H]([NH3+])C3)c2c1 ZINC001236052312 1099354798 /nfs/dbraw/zinc/35/47/98/1099354798.db2.gz QCNKDFXGKPGQFT-UKRRQHHQSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H](C)C[C@@H]([NH3+])C3)c2c1 ZINC001236052312 1099354812 /nfs/dbraw/zinc/35/48/12/1099354812.db2.gz QCNKDFXGKPGQFT-UKRRQHHQSA-N 2 2 314.429 3.026 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC001236093839 1099383417 /nfs/dbraw/zinc/38/34/17/1099383417.db2.gz LVWSQISFTBLUTN-XIKOKIGWSA-N 2 2 302.368 3.411 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC001236093839 1099383424 /nfs/dbraw/zinc/38/34/24/1099383424.db2.gz LVWSQISFTBLUTN-XIKOKIGWSA-N 2 2 302.368 3.411 20 0 DGADLP COc1ccc([C@H]2CC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001236096359 1099386619 /nfs/dbraw/zinc/38/66/19/1099386619.db2.gz AJBNQHMCNFSIGY-RBUKOAKNSA-N 2 2 310.441 3.055 20 0 DGADLP COc1ccc([C@H]2CC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001236096359 1099386636 /nfs/dbraw/zinc/38/66/36/1099386636.db2.gz AJBNQHMCNFSIGY-RBUKOAKNSA-N 2 2 310.441 3.055 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CCC[NH2+]1 ZINC001236100051 1099388114 /nfs/dbraw/zinc/38/81/14/1099388114.db2.gz BTBZQJHAQVQVBL-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CCC[NH2+]1 ZINC001236100051 1099388128 /nfs/dbraw/zinc/38/81/28/1099388128.db2.gz BTBZQJHAQVQVBL-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c2ccccc12 ZINC001236101587 1099390023 /nfs/dbraw/zinc/39/00/23/1099390023.db2.gz WWZNOCBBAHWLCW-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CCC[NH2+][C@@H](C)C2)c2ccccc12 ZINC001236101587 1099390036 /nfs/dbraw/zinc/39/00/36/1099390036.db2.gz WWZNOCBBAHWLCW-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP c1csc([C@@H]2C[NH2+]CCN2Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001236116675 1099405145 /nfs/dbraw/zinc/40/51/45/1099405145.db2.gz MSHAJLLUAGORPL-KRWDZBQOSA-N 2 2 324.453 3.080 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001236173704 1099445627 /nfs/dbraw/zinc/44/56/27/1099445627.db2.gz LOXYXXSWLZBUIU-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001236173704 1099445632 /nfs/dbraw/zinc/44/56/32/1099445632.db2.gz LOXYXXSWLZBUIU-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001236173700 1099445727 /nfs/dbraw/zinc/44/57/27/1099445727.db2.gz LOXYXXSWLZBUIU-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001236173700 1099445732 /nfs/dbraw/zinc/44/57/32/1099445732.db2.gz LOXYXXSWLZBUIU-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP C[N@H+](Cc1ccc(Oc2cccnc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236206101 1099462416 /nfs/dbraw/zinc/46/24/16/1099462416.db2.gz INNSXFJCMRBWIZ-LJQANCHMSA-N 2 2 311.429 3.448 20 0 DGADLP C[N@@H+](Cc1ccc(Oc2cccnc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236206101 1099462423 /nfs/dbraw/zinc/46/24/23/1099462423.db2.gz INNSXFJCMRBWIZ-LJQANCHMSA-N 2 2 311.429 3.448 20 0 DGADLP C[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236208666 1099463832 /nfs/dbraw/zinc/46/38/32/1099463832.db2.gz VRXRAMCSYLRWEU-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236208666 1099463837 /nfs/dbraw/zinc/46/38/37/1099463837.db2.gz VRXRAMCSYLRWEU-QGZVFWFLSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213699 1099470331 /nfs/dbraw/zinc/47/03/31/1099470331.db2.gz BCWMDMMCABLBKX-KBPBESRZSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213699 1099470334 /nfs/dbraw/zinc/47/03/34/1099470334.db2.gz BCWMDMMCABLBKX-KBPBESRZSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@H+](Cc1ccccc1N1CCCCC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216574 1099471711 /nfs/dbraw/zinc/47/17/11/1099471711.db2.gz KGBDTLBUGLQICN-PKOBYXMFSA-N 2 2 301.478 3.379 20 0 DGADLP C[N@@H+](Cc1ccccc1N1CCCCC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216574 1099471716 /nfs/dbraw/zinc/47/17/16/1099471716.db2.gz KGBDTLBUGLQICN-PKOBYXMFSA-N 2 2 301.478 3.379 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[N@H+](Cc2ccccc2)C2CCSCC2)O1 ZINC001236268191 1099510336 /nfs/dbraw/zinc/51/03/36/1099510336.db2.gz AWTGRHQVUJRGQR-KRWDZBQOSA-N 2 2 320.502 3.109 20 0 DGADLP CC1(C)[NH2+]C[C@@H](C[N@@H+](Cc2ccccc2)C2CCSCC2)O1 ZINC001236268191 1099510345 /nfs/dbraw/zinc/51/03/45/1099510345.db2.gz AWTGRHQVUJRGQR-KRWDZBQOSA-N 2 2 320.502 3.109 20 0 DGADLP Fc1ccccc1C[N@H+](CC1OC=CC1=S)C1CC[NH2+]CC1 ZINC001236373310 1099558606 /nfs/dbraw/zinc/55/86/06/1099558606.db2.gz WRRKQWLSPARHGR-UHFFFAOYSA-N 2 2 320.433 3.462 20 0 DGADLP Fc1ccccc1C[N@@H+](CC1OC=CC1=S)C1CC[NH2+]CC1 ZINC001236373310 1099558616 /nfs/dbraw/zinc/55/86/16/1099558616.db2.gz WRRKQWLSPARHGR-UHFFFAOYSA-N 2 2 320.433 3.462 20 0 DGADLP CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@H]1CC[NH2+]C1 ZINC001236408450 1099580703 /nfs/dbraw/zinc/58/07/03/1099580703.db2.gz MOMGPNVVZHZKCN-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+](Cc1cc(OC(F)(F)F)ccc1F)C[C@H]1CC[NH2+]C1 ZINC001236408450 1099580715 /nfs/dbraw/zinc/58/07/15/1099580715.db2.gz MOMGPNVVZHZKCN-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411922 1099586504 /nfs/dbraw/zinc/58/65/04/1099586504.db2.gz HUUXCVKRIYHPED-RUYXUALKSA-N 2 2 308.425 3.012 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411922 1099586515 /nfs/dbraw/zinc/58/65/15/1099586515.db2.gz HUUXCVKRIYHPED-RUYXUALKSA-N 2 2 308.425 3.012 20 0 DGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419288 1099594361 /nfs/dbraw/zinc/59/43/61/1099594361.db2.gz HRSUHLPXBCYRGW-QAPCUYQASA-N 2 2 320.440 3.337 20 0 DGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236419288 1099594371 /nfs/dbraw/zinc/59/43/71/1099594371.db2.gz HRSUHLPXBCYRGW-QAPCUYQASA-N 2 2 320.440 3.337 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001236433847 1099609036 /nfs/dbraw/zinc/60/90/36/1099609036.db2.gz ITYALHYAWXUBOB-AWEZNQCLSA-N 2 2 305.224 3.299 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001236433847 1099609039 /nfs/dbraw/zinc/60/90/39/1099609039.db2.gz ITYALHYAWXUBOB-AWEZNQCLSA-N 2 2 305.224 3.299 20 0 DGADLP Cc1ccc2[nH]c(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)nc2c1 ZINC001236459477 1099623781 /nfs/dbraw/zinc/62/37/81/1099623781.db2.gz QHENQYHBHHRSTM-UHFFFAOYSA-N 2 2 314.477 3.471 20 0 DGADLP Cc1ccc2[nH]c(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)nc2c1 ZINC001236459477 1099623788 /nfs/dbraw/zinc/62/37/88/1099623788.db2.gz QHENQYHBHHRSTM-UHFFFAOYSA-N 2 2 314.477 3.471 20 0 DGADLP Cc1ccc2nc(C[N@H+](CC(C)(C)C)C3CC[NH2+]CC3)[nH]c2c1 ZINC001236459477 1099623795 /nfs/dbraw/zinc/62/37/95/1099623795.db2.gz QHENQYHBHHRSTM-UHFFFAOYSA-N 2 2 314.477 3.471 20 0 DGADLP Cc1ccc2nc(C[N@@H+](CC(C)(C)C)C3CC[NH2+]CC3)[nH]c2c1 ZINC001236459477 1099623800 /nfs/dbraw/zinc/62/38/00/1099623800.db2.gz QHENQYHBHHRSTM-UHFFFAOYSA-N 2 2 314.477 3.471 20 0 DGADLP CCOCC[N@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC001236460905 1099625067 /nfs/dbraw/zinc/62/50/67/1099625067.db2.gz UZUIAURCBATDBP-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP CCOCC[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC001236460905 1099625073 /nfs/dbraw/zinc/62/50/73/1099625073.db2.gz UZUIAURCBATDBP-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP CC(C)C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC001236477781 1099634870 /nfs/dbraw/zinc/63/48/70/1099634870.db2.gz MOWLZFDZLCYWMK-CQSZACIVSA-N 2 2 324.852 3.279 20 0 DGADLP CC(C)C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC001236477781 1099634873 /nfs/dbraw/zinc/63/48/73/1099634873.db2.gz MOWLZFDZLCYWMK-CQSZACIVSA-N 2 2 324.852 3.279 20 0 DGADLP CC(C)C[N@H+](Cc1ccc(N2CCCCC2)o1)[C@@H]1CCC[NH2+]C1 ZINC001236477808 1099635354 /nfs/dbraw/zinc/63/53/54/1099635354.db2.gz NYXSUOZANDWRDL-QGZVFWFLSA-N 2 2 319.493 3.480 20 0 DGADLP CC(C)C[N@@H+](Cc1ccc(N2CCCCC2)o1)[C@@H]1CCC[NH2+]C1 ZINC001236477808 1099635363 /nfs/dbraw/zinc/63/53/63/1099635363.db2.gz NYXSUOZANDWRDL-QGZVFWFLSA-N 2 2 319.493 3.480 20 0 DGADLP C[C@@H](C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236478040 1099636813 /nfs/dbraw/zinc/63/68/13/1099636813.db2.gz AWEBJPCZAMUHBJ-PXNSSMCTSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236478040 1099636814 /nfs/dbraw/zinc/63/68/14/1099636814.db2.gz AWEBJPCZAMUHBJ-PXNSSMCTSA-N 2 2 309.457 3.439 20 0 DGADLP Cc1cc(F)cc(C[N@@H+](Cc2cccn2C)C2CC[NH2+]CC2)c1 ZINC001236481010 1099638326 /nfs/dbraw/zinc/63/83/26/1099638326.db2.gz MCVPJTIVPWRQLQ-UHFFFAOYSA-N 2 2 315.436 3.227 20 0 DGADLP Cc1cc(F)cc(C[N@H+](Cc2cccn2C)C2CC[NH2+]CC2)c1 ZINC001236481010 1099638332 /nfs/dbraw/zinc/63/83/32/1099638332.db2.gz MCVPJTIVPWRQLQ-UHFFFAOYSA-N 2 2 315.436 3.227 20 0 DGADLP CC(C)Oc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccn1 ZINC001236559897 1099678835 /nfs/dbraw/zinc/67/88/35/1099678835.db2.gz AJICKJRASFWVIO-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccn1 ZINC001236559897 1099678842 /nfs/dbraw/zinc/67/88/42/1099678842.db2.gz AJICKJRASFWVIO-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236604229 1099699370 /nfs/dbraw/zinc/69/93/70/1099699370.db2.gz JVRUHNZOKVSLBD-CYBMUJFWSA-N 2 2 322.758 3.409 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236604229 1099699373 /nfs/dbraw/zinc/69/93/73/1099699373.db2.gz JVRUHNZOKVSLBD-CYBMUJFWSA-N 2 2 322.758 3.409 20 0 DGADLP COc1cccc([C@H]2CSCC[N@@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236606863 1099700615 /nfs/dbraw/zinc/70/06/15/1099700615.db2.gz WZGHUFMBBKKBMR-FUHWJXTLSA-N 2 2 320.502 3.317 20 0 DGADLP COc1cccc([C@H]2CSCC[N@H+]2CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236606863 1099700621 /nfs/dbraw/zinc/70/06/21/1099700621.db2.gz WZGHUFMBBKKBMR-FUHWJXTLSA-N 2 2 320.502 3.317 20 0 DGADLP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236648988 1099720616 /nfs/dbraw/zinc/72/06/16/1099720616.db2.gz UXPDJTDQSFRNNB-MRXNPFEDSA-N 2 2 306.425 3.331 20 0 DGADLP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236648988 1099720623 /nfs/dbraw/zinc/72/06/23/1099720623.db2.gz UXPDJTDQSFRNNB-MRXNPFEDSA-N 2 2 306.425 3.331 20 0 DGADLP c1cn(-c2cccc(CN([C@@H]3CC[NH2+]C3)C3CCCCC3)c2)c[nH+]1 ZINC001236652399 1099722547 /nfs/dbraw/zinc/72/25/47/1099722547.db2.gz HNFLKHQUVGWFDV-HXUWFJFHSA-N 2 2 324.472 3.369 20 0 DGADLP COc1cc(F)cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651924 1099723338 /nfs/dbraw/zinc/72/33/38/1099723338.db2.gz JSSYWUCNMUPBLK-KRWDZBQOSA-N 2 2 306.425 3.331 20 0 DGADLP COc1cc(F)cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236651924 1099723345 /nfs/dbraw/zinc/72/33/45/1099723345.db2.gz JSSYWUCNMUPBLK-KRWDZBQOSA-N 2 2 306.425 3.331 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)cc1OC(F)(F)F ZINC001236735487 1099763332 /nfs/dbraw/zinc/76/33/32/1099763332.db2.gz YNHBPFVGWICQDR-UHFFFAOYSA-N 2 2 320.355 3.064 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)cc1OC(F)(F)F ZINC001236735487 1099763342 /nfs/dbraw/zinc/76/33/42/1099763342.db2.gz YNHBPFVGWICQDR-UHFFFAOYSA-N 2 2 320.355 3.064 20 0 DGADLP CCC[N@@H+](Cc1c(F)cccc1OC(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236836479 1099823995 /nfs/dbraw/zinc/82/39/95/1099823995.db2.gz VXZQBIPDHYLKHV-GFCCVEGCSA-N 2 2 316.367 3.249 20 0 DGADLP CCC[N@H+](Cc1c(F)cccc1OC(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236836479 1099824007 /nfs/dbraw/zinc/82/40/07/1099824007.db2.gz VXZQBIPDHYLKHV-GFCCVEGCSA-N 2 2 316.367 3.249 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001236837203 1099824640 /nfs/dbraw/zinc/82/46/40/1099824640.db2.gz AHGVJCBHRCPTJA-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001236837203 1099824650 /nfs/dbraw/zinc/82/46/50/1099824650.db2.gz AHGVJCBHRCPTJA-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2cc(Br)cnc21 ZINC001236883950 1099850299 /nfs/dbraw/zinc/85/02/99/1099850299.db2.gz JDZWKVNXEVBVOO-AWEZNQCLSA-N 2 2 322.250 3.166 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2cc(Br)cnc21 ZINC001236883950 1099850311 /nfs/dbraw/zinc/85/03/11/1099850311.db2.gz JDZWKVNXEVBVOO-AWEZNQCLSA-N 2 2 322.250 3.166 20 0 DGADLP COC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902488 1099865653 /nfs/dbraw/zinc/86/56/53/1099865653.db2.gz FPLORGXWSVNIPX-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP COC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902488 1099865662 /nfs/dbraw/zinc/86/56/62/1099865662.db2.gz FPLORGXWSVNIPX-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@]1(C)O ZINC001236902429 1099866004 /nfs/dbraw/zinc/86/60/04/1099866004.db2.gz AZTZWRWXEXCQIH-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@@]1(C)O ZINC001236902429 1099866010 /nfs/dbraw/zinc/86/60/10/1099866010.db2.gz AZTZWRWXEXCQIH-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP CO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236904782 1099868459 /nfs/dbraw/zinc/86/84/59/1099868459.db2.gz VSJCCBMQOHRFHS-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP CO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236904782 1099868463 /nfs/dbraw/zinc/86/84/63/1099868463.db2.gz VSJCCBMQOHRFHS-CQSZACIVSA-N 2 2 305.809 3.137 20 0 DGADLP OC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236908262 1099871105 /nfs/dbraw/zinc/87/11/05/1099871105.db2.gz RDGOOMCFJIJYLO-AWEZNQCLSA-N 2 2 319.836 3.120 20 0 DGADLP OC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236908262 1099871119 /nfs/dbraw/zinc/87/11/19/1099871119.db2.gz RDGOOMCFJIJYLO-AWEZNQCLSA-N 2 2 319.836 3.120 20 0 DGADLP C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1(C)C ZINC001236913066 1099872582 /nfs/dbraw/zinc/87/25/82/1099872582.db2.gz ZKSWTLPUKQEGOB-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP OC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236912985 1099872904 /nfs/dbraw/zinc/87/29/04/1099872904.db2.gz FXSBCGHTOPDKHM-CQSZACIVSA-N 2 2 319.836 3.120 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@H]1O ZINC001236913252 1099873594 /nfs/dbraw/zinc/87/35/94/1099873594.db2.gz JPSVTPKLLRWTFW-GUYCJALGSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@H]1O ZINC001236913253 1099874316 /nfs/dbraw/zinc/87/43/16/1099874316.db2.gz JPSVTPKLLRWTFW-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc1Br ZINC001237056850 1099939721 /nfs/dbraw/zinc/93/97/21/1099939721.db2.gz KDXQHMHYLQWFMC-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1Br ZINC001237056850 1099939733 /nfs/dbraw/zinc/93/97/33/1099939733.db2.gz KDXQHMHYLQWFMC-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001237060147 1099950267 /nfs/dbraw/zinc/95/02/67/1099950267.db2.gz XWQYQKRUAXAOOI-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001237060147 1099950278 /nfs/dbraw/zinc/95/02/78/1099950278.db2.gz XWQYQKRUAXAOOI-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001237082563 1099962153 /nfs/dbraw/zinc/96/21/53/1099962153.db2.gz RIEVLAYLSYKROG-ZDUSSCGKSA-N 2 2 317.296 3.380 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001237082563 1099962156 /nfs/dbraw/zinc/96/21/56/1099962156.db2.gz RIEVLAYLSYKROG-ZDUSSCGKSA-N 2 2 317.296 3.380 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccnc3c(OC)cccc23)CC1 ZINC001237119182 1099980613 /nfs/dbraw/zinc/98/06/13/1099980613.db2.gz HIXSJTANBRSPFD-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccnc3c(OC)cccc23)CC1 ZINC001237119182 1099980617 /nfs/dbraw/zinc/98/06/17/1099980617.db2.gz HIXSJTANBRSPFD-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP c1ccc(Oc2cccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237143952 1099992988 /nfs/dbraw/zinc/99/29/88/1099992988.db2.gz SXWIYHGRJCQWOA-FQEVSTJZSA-N 2 2 324.424 3.043 20 0 DGADLP c1ccc(Oc2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237143952 1099992996 /nfs/dbraw/zinc/99/29/96/1099992996.db2.gz SXWIYHGRJCQWOA-FQEVSTJZSA-N 2 2 324.424 3.043 20 0 DGADLP CCCCCCc1csc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)c1 ZINC001237143495 1099993938 /nfs/dbraw/zinc/99/39/38/1099993938.db2.gz GDVWCGBTRIOCMG-SFHVURJKSA-N 2 2 322.518 3.435 20 0 DGADLP CCCCCCc1csc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)c1 ZINC001237143495 1099993946 /nfs/dbraw/zinc/99/39/46/1099993946.db2.gz GDVWCGBTRIOCMG-SFHVURJKSA-N 2 2 322.518 3.435 20 0 DGADLP FC(F)Oc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237146783 1099995715 /nfs/dbraw/zinc/99/57/15/1099995715.db2.gz VYLKVPZYSNPABA-OAHLLOKOSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237146783 1099995724 /nfs/dbraw/zinc/99/57/24/1099995724.db2.gz VYLKVPZYSNPABA-OAHLLOKOSA-N 2 2 310.388 3.395 20 0 DGADLP COc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237154197 1100003286 /nfs/dbraw/zinc/00/32/86/1100003286.db2.gz KZMYLKLPGIYVFS-OAHLLOKOSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001237154197 1100003297 /nfs/dbraw/zinc/00/32/97/1100003297.db2.gz KZMYLKLPGIYVFS-OAHLLOKOSA-N 2 2 308.853 3.455 20 0 DGADLP S=C1C=COC1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001237178728 1100015175 /nfs/dbraw/zinc/01/51/75/1100015175.db2.gz ZLGYZZGABGHAIL-CHWSQXEVSA-N 2 2 320.483 3.194 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001237205479 1100031481 /nfs/dbraw/zinc/03/14/81/1100031481.db2.gz VKFLYMHOSVOVKD-BEFAXECRSA-N 2 2 309.457 3.341 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001237205479 1100031488 /nfs/dbraw/zinc/03/14/88/1100031488.db2.gz VKFLYMHOSVOVKD-BEFAXECRSA-N 2 2 309.457 3.341 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001237263213 1100050138 /nfs/dbraw/zinc/05/01/38/1100050138.db2.gz AXWILJTVIBGPPN-IAGOWNOFSA-N 2 2 302.462 3.405 20 0 DGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001237263213 1100050145 /nfs/dbraw/zinc/05/01/45/1100050145.db2.gz AXWILJTVIBGPPN-IAGOWNOFSA-N 2 2 302.462 3.405 20 0 DGADLP CCc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)n1 ZINC001237289569 1100063636 /nfs/dbraw/zinc/06/36/36/1100063636.db2.gz QHGFOKATXQGUIA-UHFFFAOYSA-N 2 2 321.468 3.281 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccncc1C(F)(F)F ZINC001237301962 1100068148 /nfs/dbraw/zinc/06/81/48/1100068148.db2.gz JUUXDIASIIIQLA-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccncc1C(F)(F)F ZINC001237301962 1100068155 /nfs/dbraw/zinc/06/81/55/1100068155.db2.gz JUUXDIASIIIQLA-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP COc1ccccc1CC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359907 1100095243 /nfs/dbraw/zinc/09/52/43/1100095243.db2.gz RXINWCRKHSQBPO-UHFFFAOYSA-N 2 2 322.452 3.332 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cn2)cc1 ZINC001237389023 1100105688 /nfs/dbraw/zinc/10/56/88/1100105688.db2.gz FLTHCXUSDZBDPP-AZUAARDMSA-N 2 2 307.441 3.323 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cn2)cc1 ZINC001237389023 1100105694 /nfs/dbraw/zinc/10/56/94/1100105694.db2.gz FLTHCXUSDZBDPP-AZUAARDMSA-N 2 2 307.441 3.323 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cn2)cs1 ZINC001237392620 1100107144 /nfs/dbraw/zinc/10/71/44/1100107144.db2.gz OXZVVUMNIKINCN-QAPCUYQASA-N 2 2 313.470 3.384 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cn2)cs1 ZINC001237392620 1100107148 /nfs/dbraw/zinc/10/71/48/1100107148.db2.gz OXZVVUMNIKINCN-QAPCUYQASA-N 2 2 313.470 3.384 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237395110 1100108853 /nfs/dbraw/zinc/10/88/53/1100108853.db2.gz XDAHFLLRYHESAR-BBRMVZONSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237395110 1100108857 /nfs/dbraw/zinc/10/88/57/1100108857.db2.gz XDAHFLLRYHESAR-BBRMVZONSA-N 2 2 323.278 3.331 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1F ZINC001237418295 1100121140 /nfs/dbraw/zinc/12/11/40/1100121140.db2.gz XTPGOSXZJJWHGS-DOTOQJQBSA-N 2 2 306.425 3.187 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1F ZINC001237418295 1100121144 /nfs/dbraw/zinc/12/11/44/1100121144.db2.gz XTPGOSXZJJWHGS-DOTOQJQBSA-N 2 2 306.425 3.187 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc3ccccn3n2)C2CCCC2)CC1 ZINC001237452815 1100130268 /nfs/dbraw/zinc/13/02/68/1100130268.db2.gz GNBXFVNMVGHPHO-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc3ccccn3n2)C2CCCC2)CC1 ZINC001237452815 1100130273 /nfs/dbraw/zinc/13/02/73/1100130273.db2.gz GNBXFVNMVGHPHO-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP COc1ccc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001237714832 1100224220 /nfs/dbraw/zinc/22/42/20/1100224220.db2.gz DXMKAJBKGOGKTK-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)Cc3ccncn3)cc21 ZINC001237878680 1100277016 /nfs/dbraw/zinc/27/70/16/1100277016.db2.gz GXYZQYAEGQSFTJ-UHFFFAOYSA-N 2 2 308.429 3.110 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)Cc3ccncn3)cc21 ZINC001237878680 1100277023 /nfs/dbraw/zinc/27/70/23/1100277023.db2.gz GXYZQYAEGQSFTJ-UHFFFAOYSA-N 2 2 308.429 3.110 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc21 ZINC001237880489 1100278103 /nfs/dbraw/zinc/27/81/03/1100278103.db2.gz GOBCDETVJHUIII-GJZGRUSLSA-N 2 2 300.446 3.297 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911770 1100291538 /nfs/dbraw/zinc/29/15/38/1100291538.db2.gz GGSPCBHQAQPVSE-ICSRJNTNSA-N 2 2 314.473 3.107 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911770 1100291543 /nfs/dbraw/zinc/29/15/43/1100291543.db2.gz GGSPCBHQAQPVSE-ICSRJNTNSA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911770 1100291550 /nfs/dbraw/zinc/29/15/50/1100291550.db2.gz GGSPCBHQAQPVSE-ICSRJNTNSA-N 2 2 314.473 3.107 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CCOCC3)C[C@@H]21 ZINC001237911770 1100291556 /nfs/dbraw/zinc/29/15/56/1100291556.db2.gz GGSPCBHQAQPVSE-ICSRJNTNSA-N 2 2 314.473 3.107 20 0 DGADLP Cc1sccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001237965709 1100306130 /nfs/dbraw/zinc/30/61/30/1100306130.db2.gz DZFDATPSWORKDN-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1sccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001237965709 1100306140 /nfs/dbraw/zinc/30/61/40/1100306140.db2.gz DZFDATPSWORKDN-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1sccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001237965709 1100306150 /nfs/dbraw/zinc/30/61/50/1100306150.db2.gz DZFDATPSWORKDN-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1sccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001237965709 1100306162 /nfs/dbraw/zinc/30/61/62/1100306162.db2.gz DZFDATPSWORKDN-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652123 1100315502 /nfs/dbraw/zinc/31/55/02/1100315502.db2.gz WDUKSDHJANIPOK-KSZLIROESA-N 2 2 324.509 3.018 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190652123 1100315511 /nfs/dbraw/zinc/31/55/11/1100315511.db2.gz WDUKSDHJANIPOK-KSZLIROESA-N 2 2 324.509 3.018 20 0 DGADLP Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112263 1100366254 /nfs/dbraw/zinc/36/62/54/1100366254.db2.gz CMLNOMHLQGZELV-GOSISDBHSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112263 1100366259 /nfs/dbraw/zinc/36/62/59/1100366259.db2.gz CMLNOMHLQGZELV-GOSISDBHSA-N 2 2 322.412 3.081 20 0 DGADLP c1cc(-c2cccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2)n[nH]1 ZINC001238198727 1100389870 /nfs/dbraw/zinc/38/98/70/1100389870.db2.gz BWHBSBLHOGKQDB-UHFFFAOYSA-N 2 2 307.401 3.110 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cnc1OC(C)C ZINC001278270803 1100510206 /nfs/dbraw/zinc/51/02/06/1100510206.db2.gz MPKVACBEDMNQJS-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cnc1OC(C)C ZINC001278270803 1100510212 /nfs/dbraw/zinc/51/02/12/1100510212.db2.gz MPKVACBEDMNQJS-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cnc1OC(C)C ZINC001278270803 1100510218 /nfs/dbraw/zinc/51/02/18/1100510218.db2.gz MPKVACBEDMNQJS-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cnc1OC(C)C ZINC001278270803 1100510223 /nfs/dbraw/zinc/51/02/23/1100510223.db2.gz MPKVACBEDMNQJS-LJQANCHMSA-N 2 2 317.477 3.095 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001239580255 1100693437 /nfs/dbraw/zinc/69/34/37/1100693437.db2.gz BFXFFPSOVBAWTB-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001239580255 1100693440 /nfs/dbraw/zinc/69/34/40/1100693440.db2.gz BFXFFPSOVBAWTB-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cnc4ccccc4c3)cc2)C1 ZINC001239796397 1100757804 /nfs/dbraw/zinc/75/78/04/1100757804.db2.gz MWCZTVVNKYQURR-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cnc4ccccc4c3)cc2)C1 ZINC001239796397 1100757807 /nfs/dbraw/zinc/75/78/07/1100757807.db2.gz MWCZTVVNKYQURR-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccnc4ccccc43)cc2)C1 ZINC001239853233 1100775524 /nfs/dbraw/zinc/77/55/24/1100775524.db2.gz PGWCMILVLPAXGE-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccnc4ccccc43)cc2)C1 ZINC001239853233 1100775530 /nfs/dbraw/zinc/77/55/30/1100775530.db2.gz PGWCMILVLPAXGE-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP CC(C)Oc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001239967722 1100815330 /nfs/dbraw/zinc/81/53/30/1100815330.db2.gz GTBHULJICMEZMR-UHFFFAOYSA-N 2 2 307.397 3.475 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc4cnccc43)ccn12 ZINC001240008139 1100830872 /nfs/dbraw/zinc/83/08/72/1100830872.db2.gz CUCFMLRRMLURRC-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP c1cn2ccc(-c3ccc(OCC[NH+]4CCCC4)cc3)cc2[nH+]1 ZINC001240511583 1101030134 /nfs/dbraw/zinc/03/01/34/1101030134.db2.gz IGGCIGJEECRODD-UHFFFAOYSA-N 2 2 307.397 3.476 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(N4CCCC4)c3)c2)C1 ZINC001240537405 1101040033 /nfs/dbraw/zinc/04/00/33/1101040033.db2.gz RAXRUEJMSJTJID-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(N4CCCC4)c3)c2)C1 ZINC001240537405 1101040039 /nfs/dbraw/zinc/04/00/39/1101040039.db2.gz RAXRUEJMSJTJID-HXUWFJFHSA-N 2 2 321.468 3.487 20 0 DGADLP Cn1ccc2ccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc21 ZINC001240575795 1101056842 /nfs/dbraw/zinc/05/68/42/1101056842.db2.gz CRCHFJQUEDDVCU-GOSISDBHSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2ccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc21 ZINC001240575795 1101056849 /nfs/dbraw/zinc/05/68/49/1101056849.db2.gz CRCHFJQUEDDVCU-GOSISDBHSA-N 2 2 305.425 3.378 20 0 DGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc(F)c1F ZINC001240663180 1101086987 /nfs/dbraw/zinc/08/69/87/1101086987.db2.gz HXPFXHIVFSCMOW-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc(F)c1F ZINC001240663180 1101086995 /nfs/dbraw/zinc/08/69/95/1101086995.db2.gz HXPFXHIVFSCMOW-OAHLLOKOSA-N 2 2 318.367 3.173 20 0 DGADLP CC(C)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001240811507 1101145860 /nfs/dbraw/zinc/14/58/60/1101145860.db2.gz WJGYQMAXIHMDIB-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001240811507 1101145865 /nfs/dbraw/zinc/14/58/65/1101145865.db2.gz WJGYQMAXIHMDIB-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP C[NH+]1CCN(c2ccc(-c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001240852001 1101157278 /nfs/dbraw/zinc/15/72/78/1101157278.db2.gz IIYFHMXUMMLMTF-UHFFFAOYSA-N 2 2 318.424 3.291 20 0 DGADLP CCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)c1 ZINC001241270730 1101339402 /nfs/dbraw/zinc/33/94/02/1101339402.db2.gz BUKIHUOWPVMNPV-UHFFFAOYSA-N 2 2 307.397 3.395 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001241419458 1101445525 /nfs/dbraw/zinc/44/55/25/1101445525.db2.gz DYAHCCGRLZDKFC-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001241419458 1101445533 /nfs/dbraw/zinc/44/55/33/1101445533.db2.gz DYAHCCGRLZDKFC-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241476308 1101493021 /nfs/dbraw/zinc/49/30/21/1101493021.db2.gz DJTYRGWAWHBBPD-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c2c[nH]nc2ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241476308 1101493033 /nfs/dbraw/zinc/49/30/33/1101493033.db2.gz DJTYRGWAWHBBPD-MRXNPFEDSA-N 2 2 306.413 3.071 20 0 DGADLP COC(=O)[C@H]([NH3+])c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001242122940 1101922994 /nfs/dbraw/zinc/92/29/94/1101922994.db2.gz RNXUSTLXSJYVCE-LJQANCHMSA-N 2 2 324.424 3.122 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001199143975 1102067694 /nfs/dbraw/zinc/06/76/94/1102067694.db2.gz LVYXKJGFFPLIBP-UHFFFAOYSA-N 2 2 312.461 3.287 20 0 DGADLP Clc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC001199179228 1102080186 /nfs/dbraw/zinc/08/01/86/1102080186.db2.gz SYVLKLNMHHRCJS-UHFFFAOYSA-N 2 2 312.804 3.270 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cnc3sccc3c2)C1 ZINC001242679844 1102283083 /nfs/dbraw/zinc/28/30/83/1102283083.db2.gz IRKWFEAKPJJBQU-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cnc3sccc3c2)C1 ZINC001242679844 1102283091 /nfs/dbraw/zinc/28/30/91/1102283091.db2.gz IRKWFEAKPJJBQU-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001200872564 1102429311 /nfs/dbraw/zinc/42/93/11/1102429311.db2.gz ROFRJWYPIRLQSA-GOSISDBHSA-N 2 2 306.519 3.412 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417795 1102584015 /nfs/dbraw/zinc/58/40/15/1102584015.db2.gz WWFRSWWVUFPGPX-GVDBMIGSSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417795 1102584019 /nfs/dbraw/zinc/58/40/19/1102584019.db2.gz WWFRSWWVUFPGPX-GVDBMIGSSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417795 1102584025 /nfs/dbraw/zinc/58/40/25/1102584025.db2.gz WWFRSWWVUFPGPX-GVDBMIGSSA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@H]32)n1 ZINC001201417795 1102584030 /nfs/dbraw/zinc/58/40/30/1102584030.db2.gz WWFRSWWVUFPGPX-GVDBMIGSSA-N 2 2 317.502 3.396 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543649 1102632286 /nfs/dbraw/zinc/63/22/86/1102632286.db2.gz JBKUCEPNWYRATP-ARFHVFGLSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543649 1102632290 /nfs/dbraw/zinc/63/22/90/1102632290.db2.gz JBKUCEPNWYRATP-ARFHVFGLSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201543649 1102632295 /nfs/dbraw/zinc/63/22/95/1102632295.db2.gz JBKUCEPNWYRATP-ARFHVFGLSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201543649 1102632302 /nfs/dbraw/zinc/63/23/02/1102632302.db2.gz JBKUCEPNWYRATP-ARFHVFGLSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201525099 1102643092 /nfs/dbraw/zinc/64/30/92/1102643092.db2.gz AGDZDOJAHQUHLC-MOPGFXCFSA-N 2 2 301.478 3.272 20 0 DGADLP CCC(CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201525099 1102643097 /nfs/dbraw/zinc/64/30/97/1102643097.db2.gz AGDZDOJAHQUHLC-MOPGFXCFSA-N 2 2 301.478 3.272 20 0 DGADLP CCC(CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201525099 1102643103 /nfs/dbraw/zinc/64/31/03/1102643103.db2.gz AGDZDOJAHQUHLC-MOPGFXCFSA-N 2 2 301.478 3.272 20 0 DGADLP CCC(CC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201525099 1102643117 /nfs/dbraw/zinc/64/31/17/1102643117.db2.gz AGDZDOJAHQUHLC-MOPGFXCFSA-N 2 2 301.478 3.272 20 0 DGADLP Cn1c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc2ccccc21 ZINC001243355035 1102679237 /nfs/dbraw/zinc/67/92/37/1102679237.db2.gz YUFPIHRQAGGOME-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc2ccccc21 ZINC001243355035 1102679242 /nfs/dbraw/zinc/67/92/42/1102679242.db2.gz YUFPIHRQAGGOME-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077552 1102837253 /nfs/dbraw/zinc/83/72/53/1102837253.db2.gz IZPPLQVZVXHKDL-CABCVRRESA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077552 1102837264 /nfs/dbraw/zinc/83/72/64/1102837264.db2.gz IZPPLQVZVXHKDL-CABCVRRESA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202077552 1102837277 /nfs/dbraw/zinc/83/72/77/1102837277.db2.gz IZPPLQVZVXHKDL-CABCVRRESA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202077552 1102837289 /nfs/dbraw/zinc/83/72/89/1102837289.db2.gz IZPPLQVZVXHKDL-CABCVRRESA-N 2 2 307.507 3.476 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(CO)c(Cl)c2)C1 ZINC001243821380 1102995617 /nfs/dbraw/zinc/99/56/17/1102995617.db2.gz FRNJNOUPJZDINC-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(CO)c(Cl)c2)C1 ZINC001243821380 1102995621 /nfs/dbraw/zinc/99/56/21/1102995621.db2.gz FRNJNOUPJZDINC-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP Fc1ncc(C2CC2)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243859431 1103015961 /nfs/dbraw/zinc/01/59/61/1103015961.db2.gz CYGAIGDXZHHEEF-UHFFFAOYSA-N 2 2 308.360 3.100 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)o1 ZINC001325744806 1103114804 /nfs/dbraw/zinc/11/48/04/1103114804.db2.gz VKNCILXNYGZOAV-SMDDNHRTSA-N 2 2 323.234 3.090 20 0 DGADLP COc1c(C)cc(C)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244106596 1103214746 /nfs/dbraw/zinc/21/47/46/1103214746.db2.gz QDPSFZRBZZXSJJ-UHFFFAOYSA-N 2 2 307.397 3.314 20 0 DGADLP COCc1ccc(C)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244171815 1103253066 /nfs/dbraw/zinc/25/30/66/1103253066.db2.gz JRRUZECZRVRKSH-GOSISDBHSA-N 2 2 310.441 3.341 20 0 DGADLP COCc1ccc(C)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244171815 1103253071 /nfs/dbraw/zinc/25/30/71/1103253071.db2.gz JRRUZECZRVRKSH-GOSISDBHSA-N 2 2 310.441 3.341 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4[nH]c(=O)ccc4c3)cc2)C1 ZINC001244237374 1103303593 /nfs/dbraw/zinc/30/35/93/1103303593.db2.gz JWKZYJMGTFSUQV-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4[nH]c(=O)ccc4c3)cc2)C1 ZINC001244237374 1103303604 /nfs/dbraw/zinc/30/36/04/1103303604.db2.gz JWKZYJMGTFSUQV-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP Cc1cc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc2[nH]1 ZINC001244242269 1103307267 /nfs/dbraw/zinc/30/72/67/1103307267.db2.gz SSJKDWYCGMCZOH-UHFFFAOYSA-N 2 2 302.381 3.478 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001326471135 1103329810 /nfs/dbraw/zinc/32/98/10/1103329810.db2.gz PTSGQXFECMAUBM-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(F)c1 ZINC001326471135 1103329825 /nfs/dbraw/zinc/32/98/25/1103329825.db2.gz PTSGQXFECMAUBM-CQSZACIVSA-N 2 2 317.408 3.023 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4cc[nH]c(=O)c4c3)cc2)C1 ZINC001244311888 1103351713 /nfs/dbraw/zinc/35/17/13/1103351713.db2.gz DPLCNBWDMIJFGR-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4cc[nH]c(=O)c4c3)cc2)C1 ZINC001244311888 1103351730 /nfs/dbraw/zinc/35/17/30/1103351730.db2.gz DPLCNBWDMIJFGR-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1cccc(OCC[NH3+])c1 ZINC001244325703 1103363200 /nfs/dbraw/zinc/36/32/00/1103363200.db2.gz YVUWPXNEEZNDTL-UHFFFAOYSA-N 2 2 311.429 3.385 20 0 DGADLP C[C@@H](c1nc([C@H]([NH3+])c2ccccc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001326976714 1103491598 /nfs/dbraw/zinc/49/15/98/1103491598.db2.gz HWEGYUCRAFIFKV-SFDCQRBFSA-N 2 2 300.406 3.052 20 0 DGADLP C[C@@H](c1nc([C@H]([NH3+])c2ccccc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001326976714 1103491605 /nfs/dbraw/zinc/49/16/05/1103491605.db2.gz HWEGYUCRAFIFKV-SFDCQRBFSA-N 2 2 300.406 3.052 20 0 DGADLP Cc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc(Cl)c1O ZINC001244537063 1103507354 /nfs/dbraw/zinc/50/73/54/1103507354.db2.gz GCURRXFDRSGBKC-UHFFFAOYSA-N 2 2 313.788 3.356 20 0 DGADLP O=c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001276355161 1103529701 /nfs/dbraw/zinc/52/97/01/1103529701.db2.gz LOXSKEONAPOREO-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001276355161 1103529711 /nfs/dbraw/zinc/52/97/11/1103529711.db2.gz LOXSKEONAPOREO-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)[nH]1 ZINC001276355161 1103529723 /nfs/dbraw/zinc/52/97/23/1103529723.db2.gz LOXSKEONAPOREO-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP O=c1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)[nH]1 ZINC001276355161 1103529731 /nfs/dbraw/zinc/52/97/31/1103529731.db2.gz LOXSKEONAPOREO-LJQANCHMSA-N 2 2 315.461 3.018 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244587215 1103543465 /nfs/dbraw/zinc/54/34/65/1103543465.db2.gz YTBAANCYKYEOKJ-OAHLLOKOSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244587215 1103543470 /nfs/dbraw/zinc/54/34/70/1103543470.db2.gz YTBAANCYKYEOKJ-OAHLLOKOSA-N 2 2 315.848 3.431 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244798847 1103692756 /nfs/dbraw/zinc/69/27/56/1103692756.db2.gz JNENJOXXVCAXPP-QGZVFWFLSA-N 2 2 313.420 3.092 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244798847 1103692761 /nfs/dbraw/zinc/69/27/61/1103692761.db2.gz JNENJOXXVCAXPP-QGZVFWFLSA-N 2 2 313.420 3.092 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC001327686664 1103707312 /nfs/dbraw/zinc/70/73/12/1103707312.db2.gz BXFYWFWCZFBXPK-CQSZACIVSA-N 2 2 321.428 3.010 20 0 DGADLP Cc1c(F)ccc(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244985750 1103792232 /nfs/dbraw/zinc/79/22/32/1103792232.db2.gz SFFUEJXBBYCUNR-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)ccc(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244985750 1103792238 /nfs/dbraw/zinc/79/22/38/1103792238.db2.gz SFFUEJXBBYCUNR-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3cc(F)cc(C(F)(F)F)c3)C2)CC1 ZINC001137865727 1103955777 /nfs/dbraw/zinc/95/57/77/1103955777.db2.gz DCEAPGCWKNJETN-UHFFFAOYSA-N 2 2 316.342 3.372 20 0 DGADLP C[NH+](C)CCCOc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001245340719 1103993716 /nfs/dbraw/zinc/99/37/16/1103993716.db2.gz GQCLNVDQJQYJPV-UHFFFAOYSA-N 2 2 311.429 3.080 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCCCC[NH2+]3)c2)[nH+]c1C ZINC001328592955 1103994093 /nfs/dbraw/zinc/99/40/93/1103994093.db2.gz CEWCIFBZIKSBCJ-MRXNPFEDSA-N 2 2 312.417 3.164 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001245356789 1104003770 /nfs/dbraw/zinc/00/37/70/1104003770.db2.gz OTHJIJGBJKOCKP-CTNGQTDRSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001245356789 1104003777 /nfs/dbraw/zinc/00/37/77/1104003777.db2.gz OTHJIJGBJKOCKP-CTNGQTDRSA-N 3 2 321.468 3.311 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1Br ZINC001328677821 1104018920 /nfs/dbraw/zinc/01/89/20/1104018920.db2.gz VMTYPNASPGXTPQ-VIFPVBQESA-N 2 2 305.647 3.190 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC001329269341 1104206255 /nfs/dbraw/zinc/20/62/55/1104206255.db2.gz HQCGKJUDRKXWHB-AWEZNQCLSA-N 2 2 319.399 3.196 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001329269341 1104206259 /nfs/dbraw/zinc/20/62/59/1104206259.db2.gz HQCGKJUDRKXWHB-AWEZNQCLSA-N 2 2 319.399 3.196 20 0 DGADLP Cc1[nH+]cn(-c2ccc(-c3ccc(C(C)(C)[NH3+])cc3)nn2)c1C ZINC001245906309 1104300825 /nfs/dbraw/zinc/30/08/25/1104300825.db2.gz FUCHZQMYQDTAIQ-UHFFFAOYSA-N 2 2 307.401 3.140 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)CC[NH2+]1 ZINC001246077450 1104371127 /nfs/dbraw/zinc/37/11/27/1104371127.db2.gz SERZKUJUVRPUHK-VXGBXAGGSA-N 2 2 315.230 3.208 20 0 DGADLP CCCCC[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246052445 1104361104 /nfs/dbraw/zinc/36/11/04/1104361104.db2.gz LLZBCZYPFFCYAR-RTBURBONSA-N 2 2 304.478 3.182 20 0 DGADLP CCCCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246052445 1104361113 /nfs/dbraw/zinc/36/11/13/1104361113.db2.gz LLZBCZYPFFCYAR-RTBURBONSA-N 2 2 304.478 3.182 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246074963 1104368599 /nfs/dbraw/zinc/36/85/99/1104368599.db2.gz HKWYICKQMOUNLV-YJBOKZPZSA-N 2 2 302.368 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246075607 1104368812 /nfs/dbraw/zinc/36/88/12/1104368812.db2.gz JBPZWTVFKLWUJE-DDFAGTSDSA-N 2 2 320.330 3.343 20 0 DGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246076268 1104372480 /nfs/dbraw/zinc/37/24/80/1104372480.db2.gz MSNYIBANOOPJCH-SJORKVTESA-N 2 2 312.413 3.026 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246090562 1104381387 /nfs/dbraw/zinc/38/13/87/1104381387.db2.gz BKWQREVOCXXKLK-AVGNSLFASA-N 2 2 317.235 3.140 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c(F)c1 ZINC001246101011 1104386375 /nfs/dbraw/zinc/38/63/75/1104386375.db2.gz WFNCDWQQEZTZJO-ZWKOTPCHSA-N 2 2 316.395 3.418 20 0 DGADLP F[C@H]1C[NH2+][C@H](C[NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246108164 1104390704 /nfs/dbraw/zinc/39/07/04/1104390704.db2.gz HXKDMCNSBPZPMR-XNGIKWSVSA-N 2 2 302.437 3.103 20 0 DGADLP CCC(C)(C)C1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246142309 1104404028 /nfs/dbraw/zinc/40/40/28/1104404028.db2.gz IJHODMYQRZXRMH-ABHNRTSZSA-N 3 2 321.553 3.445 20 0 DGADLP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148325 1104406145 /nfs/dbraw/zinc/40/61/45/1104406145.db2.gz RLZFKLCJDJWSHS-SFHVURJKSA-N 3 2 319.537 3.343 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2F)CC[NH2+]1 ZINC001246158542 1104410268 /nfs/dbraw/zinc/41/02/68/1104410268.db2.gz LVCAHIPGSZWDAK-JSGCOSHPSA-N 2 2 300.368 3.360 20 0 DGADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246160614 1104411853 /nfs/dbraw/zinc/41/18/53/1104411853.db2.gz UYMGGGVHERRTKX-ZWKOTPCHSA-N 2 2 316.395 3.418 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[NH2+]Cc2ccccc2)cc1 ZINC001246171898 1104419363 /nfs/dbraw/zinc/41/93/63/1104419363.db2.gz UFVYOIQEWAHQIX-KRWDZBQOSA-N 2 2 312.457 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC[NH2+]1 ZINC001246174905 1104420747 /nfs/dbraw/zinc/42/07/47/1104420747.db2.gz KFQSRHWKFKLVRB-RVKKMQEKSA-N 2 2 321.896 3.207 20 0 DGADLP c1ccc(N2CCCCCC2)c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246183306 1104426419 /nfs/dbraw/zinc/42/64/19/1104426419.db2.gz XFFIHZHYFUSNLL-SFHVURJKSA-N 2 2 301.478 3.299 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246204295 1104437212 /nfs/dbraw/zinc/43/72/12/1104437212.db2.gz DRQOKOQRJODXLU-ULKVUYOBSA-N 2 2 320.786 3.229 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cc(F)ccc2Br)C[C@@H](C)[NH2+]1 ZINC001246207252 1104437286 /nfs/dbraw/zinc/43/72/86/1104437286.db2.gz CUCQDSBKWNUBEM-NXEZZACHSA-N 2 2 315.230 3.207 20 0 DGADLP Brc1cccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC001246215169 1104440478 /nfs/dbraw/zinc/44/04/78/1104440478.db2.gz IRICAKDFSPYWJJ-CQSZACIVSA-N 2 2 309.251 3.170 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1F ZINC001246228579 1104447630 /nfs/dbraw/zinc/44/76/30/1104447630.db2.gz YFLZILUYNMZVOE-IRXDYDNUSA-N 2 2 316.395 3.418 20 0 DGADLP COc1cc(F)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246261400 1104464494 /nfs/dbraw/zinc/46/44/94/1104464494.db2.gz DGIUITXUPSZNFF-ZWKOTPCHSA-N 2 2 314.404 3.417 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C[NH2+]1 ZINC001246285219 1104473480 /nfs/dbraw/zinc/47/34/80/1104473480.db2.gz GTJIFDKZKUPTSV-MFKMUULPSA-N 2 2 312.339 3.098 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC001246287892 1104475409 /nfs/dbraw/zinc/47/54/09/1104475409.db2.gz KKQVCQVPNCBZJH-OLZOCXBDSA-N 2 2 315.230 3.208 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246286455 1104475702 /nfs/dbraw/zinc/47/57/02/1104475702.db2.gz YFHVJLDPKLBOGJ-LJQANCHMSA-N 3 2 305.510 3.048 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246286455 1104475706 /nfs/dbraw/zinc/47/57/06/1104475706.db2.gz YFHVJLDPKLBOGJ-LJQANCHMSA-N 3 2 305.510 3.048 20 0 DGADLP Clc1cccc(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)on2)c1 ZINC001246308924 1104482142 /nfs/dbraw/zinc/48/21/42/1104482142.db2.gz MEIDLFMKNRSGNX-YIONKMFJSA-N 2 2 317.820 3.368 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246402137 1104527928 /nfs/dbraw/zinc/52/79/28/1104527928.db2.gz JLDUUHGVJMNRFH-KZNAEPCWSA-N 3 2 319.468 3.040 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246402137 1104527932 /nfs/dbraw/zinc/52/79/32/1104527932.db2.gz JLDUUHGVJMNRFH-KZNAEPCWSA-N 3 2 319.468 3.040 20 0 DGADLP Fc1cccc([C@H](CC2CCOCC2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246404135 1104529084 /nfs/dbraw/zinc/52/90/84/1104529084.db2.gz IMKJCBRXEUWNMN-MSOLQXFVSA-N 2 2 306.425 3.025 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001246513116 1104572978 /nfs/dbraw/zinc/57/29/78/1104572978.db2.gz VQCKIWSWUUCTCN-FUHWJXTLSA-N 2 2 316.832 3.105 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+]C2CCCCCCC2)cc1 ZINC001246522505 1104577810 /nfs/dbraw/zinc/57/78/10/1104577810.db2.gz CXNYHESECJAFJO-QGZVFWFLSA-N 2 2 304.434 3.176 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CCC=C(C)C)cc1 ZINC001246524054 1104578404 /nfs/dbraw/zinc/57/84/04/1104578404.db2.gz IRTYMCWKLFRVSY-WMLDXEAASA-N 2 2 304.434 3.198 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246549296 1104590808 /nfs/dbraw/zinc/59/08/08/1104590808.db2.gz ICRWTIOOWFTSJY-RLLQIKCJSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549296 1104590815 /nfs/dbraw/zinc/59/08/15/1104590815.db2.gz ICRWTIOOWFTSJY-RLLQIKCJSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549296 1104590824 /nfs/dbraw/zinc/59/08/24/1104590824.db2.gz ICRWTIOOWFTSJY-RLLQIKCJSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549296 1104590830 /nfs/dbraw/zinc/59/08/30/1104590830.db2.gz ICRWTIOOWFTSJY-RLLQIKCJSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554281 1104593364 /nfs/dbraw/zinc/59/33/64/1104593364.db2.gz DOBJYOKWULQUSX-ZYHUDNBSSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554281 1104593369 /nfs/dbraw/zinc/59/33/69/1104593369.db2.gz DOBJYOKWULQUSX-ZYHUDNBSSA-N 2 2 320.786 3.326 20 0 DGADLP CC[C@H](C)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062300 1104601105 /nfs/dbraw/zinc/60/11/05/1104601105.db2.gz VDYXSDBQXDRSHX-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246572608 1104601158 /nfs/dbraw/zinc/60/11/58/1104601158.db2.gz OMEZPTRAOYUVMD-NEPJUHHUSA-N 2 2 316.823 3.481 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246572608 1104601161 /nfs/dbraw/zinc/60/11/61/1104601161.db2.gz OMEZPTRAOYUVMD-NEPJUHHUSA-N 2 2 316.823 3.481 20 0 DGADLP CC[C@H](C)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275062300 1104601111 /nfs/dbraw/zinc/60/11/11/1104601111.db2.gz VDYXSDBQXDRSHX-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062300 1104601116 /nfs/dbraw/zinc/60/11/16/1104601116.db2.gz VDYXSDBQXDRSHX-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275062300 1104601120 /nfs/dbraw/zinc/60/11/20/1104601120.db2.gz VDYXSDBQXDRSHX-WMZOPIPTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@H](C)C[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275071879 1104606983 /nfs/dbraw/zinc/60/69/83/1104606983.db2.gz CNURGCFXEYAQKX-OTWHNJEPSA-N 3 2 318.509 3.344 20 0 DGADLP CC(C)CC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275096544 1104622102 /nfs/dbraw/zinc/62/21/02/1104622102.db2.gz MVGSNCJPRGTLFA-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275096544 1104622105 /nfs/dbraw/zinc/62/21/05/1104622105.db2.gz MVGSNCJPRGTLFA-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275096544 1104622111 /nfs/dbraw/zinc/62/21/11/1104622111.db2.gz MVGSNCJPRGTLFA-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275096544 1104622119 /nfs/dbraw/zinc/62/21/19/1104622119.db2.gz MVGSNCJPRGTLFA-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613483 1104628161 /nfs/dbraw/zinc/62/81/61/1104628161.db2.gz JKXCQAGXHAYFSK-XJKSGUPXSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613483 1104628167 /nfs/dbraw/zinc/62/81/67/1104628167.db2.gz JKXCQAGXHAYFSK-XJKSGUPXSA-N 2 2 323.278 3.208 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613050 1104628363 /nfs/dbraw/zinc/62/83/63/1104628363.db2.gz KIWZEFUMEXZKCY-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CC2 ZINC001246613050 1104628366 /nfs/dbraw/zinc/62/83/66/1104628366.db2.gz KIWZEFUMEXZKCY-LPHOPBHVSA-N 2 2 320.427 3.430 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614401 1104629983 /nfs/dbraw/zinc/62/99/83/1104629983.db2.gz SNTOCELEBBBZKX-SJLPKXTDSA-N 2 2 320.864 3.109 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]C3)C1)CO2 ZINC001246614401 1104629985 /nfs/dbraw/zinc/62/99/85/1104629985.db2.gz SNTOCELEBBBZKX-SJLPKXTDSA-N 2 2 320.864 3.109 20 0 DGADLP CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118255 1104631913 /nfs/dbraw/zinc/63/19/13/1104631913.db2.gz UPESYEBMVAKFDV-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP CCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118255 1104631921 /nfs/dbraw/zinc/63/19/21/1104631921.db2.gz UPESYEBMVAKFDV-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP CCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118255 1104631925 /nfs/dbraw/zinc/63/19/25/1104631925.db2.gz UPESYEBMVAKFDV-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275118255 1104631931 /nfs/dbraw/zinc/63/19/31/1104631931.db2.gz UPESYEBMVAKFDV-LJQANCHMSA-N 2 2 317.477 3.265 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630286 1104636920 /nfs/dbraw/zinc/63/69/20/1104636920.db2.gz ICJBKAYLTPELEO-HSALFYBXSA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630286 1104636928 /nfs/dbraw/zinc/63/69/28/1104636928.db2.gz ICJBKAYLTPELEO-HSALFYBXSA-N 3 2 313.489 3.088 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646776 1104644075 /nfs/dbraw/zinc/64/40/75/1104644075.db2.gz HYXNCDKLDXMZCF-NOLJZWGESA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001246646776 1104644083 /nfs/dbraw/zinc/64/40/83/1104644083.db2.gz HYXNCDKLDXMZCF-NOLJZWGESA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246653900 1104648666 /nfs/dbraw/zinc/64/86/66/1104648666.db2.gz BNSWWUBTWJXXAB-BJJXKVORSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246653900 1104648669 /nfs/dbraw/zinc/64/86/69/1104648669.db2.gz BNSWWUBTWJXXAB-BJJXKVORSA-N 2 2 323.278 3.064 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652120 1104648693 /nfs/dbraw/zinc/64/86/93/1104648693.db2.gz NXDBBAQEWPLENS-SJLPKXTDSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652120 1104648697 /nfs/dbraw/zinc/64/86/97/1104648697.db2.gz NXDBBAQEWPLENS-SJLPKXTDSA-N 2 2 310.482 3.107 20 0 DGADLP COc1ccc2cc(CC[C@H](C)[N@@H+]3C[C@H]4CC[NH2+]C[C@H]43)ccc2c1 ZINC001246660496 1104653066 /nfs/dbraw/zinc/65/30/66/1104653066.db2.gz BYNRAFJIMDDVOY-NYSBEXSLSA-N 2 2 324.468 3.463 20 0 DGADLP COc1ccc2cc(CC[C@H](C)[N@H+]3C[C@H]4CC[NH2+]C[C@H]43)ccc2c1 ZINC001246660496 1104653071 /nfs/dbraw/zinc/65/30/71/1104653071.db2.gz BYNRAFJIMDDVOY-NYSBEXSLSA-N 2 2 324.468 3.463 20 0 DGADLP CC(C)(C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275151561 1104653687 /nfs/dbraw/zinc/65/36/87/1104653687.db2.gz JLCNCFUKLWCPEK-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275151561 1104653690 /nfs/dbraw/zinc/65/36/90/1104653690.db2.gz JLCNCFUKLWCPEK-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275151561 1104653692 /nfs/dbraw/zinc/65/36/92/1104653692.db2.gz JLCNCFUKLWCPEK-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275151561 1104653696 /nfs/dbraw/zinc/65/36/96/1104653696.db2.gz JLCNCFUKLWCPEK-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@@H+](CC4CCC4)C3)C2)c1 ZINC001275182503 1104670739 /nfs/dbraw/zinc/67/07/39/1104670739.db2.gz YHDAZWUDJFCTNA-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@H+](CC4CCC4)C3)C2)c1 ZINC001275182503 1104670744 /nfs/dbraw/zinc/67/07/44/1104670744.db2.gz YHDAZWUDJFCTNA-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@]3(CCC[NH+](CC4CCC4)C3)C2)c1 ZINC001275182503 1104670749 /nfs/dbraw/zinc/67/07/49/1104670749.db2.gz YHDAZWUDJFCTNA-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@]3(CCC[NH+](CC4CCC4)C3)C2)c1 ZINC001275182503 1104670752 /nfs/dbraw/zinc/67/07/52/1104670752.db2.gz YHDAZWUDJFCTNA-IBGZPJMESA-N 2 2 301.478 3.493 20 0 DGADLP Clc1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246812393 1104686848 /nfs/dbraw/zinc/68/68/48/1104686848.db2.gz ZPUJYUNLVCDYIX-ZSHCYNCHSA-N 2 2 319.880 3.135 20 0 DGADLP C[C@H]1CC([N@@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246845806 1104704453 /nfs/dbraw/zinc/70/44/53/1104704453.db2.gz LZQPUJRNVYXCNB-LNLFQRSKSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@H]1CC([N@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246845806 1104704461 /nfs/dbraw/zinc/70/44/61/1104704461.db2.gz LZQPUJRNVYXCNB-LNLFQRSKSA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866833 1104713431 /nfs/dbraw/zinc/71/34/31/1104713431.db2.gz FAUMNRKQYWXXPA-QYZOEREBSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246866833 1104713440 /nfs/dbraw/zinc/71/34/40/1104713440.db2.gz FAUMNRKQYWXXPA-QYZOEREBSA-N 2 2 316.489 3.097 20 0 DGADLP OC1([C@H]2CCCC[NH2+]2)C[NH+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246897171 1104727557 /nfs/dbraw/zinc/72/75/57/1104727557.db2.gz IJMWWUSSVIELIV-DLBZAZTESA-N 2 2 306.494 3.068 20 0 DGADLP OC1([C@H]2CCCC[NH2+]2)C[NH+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246897172 1104727572 /nfs/dbraw/zinc/72/75/72/1104727572.db2.gz IJMWWUSSVIELIV-IAGOWNOFSA-N 2 2 306.494 3.068 20 0 DGADLP CCOCC[C@@H](C)[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246931640 1104741067 /nfs/dbraw/zinc/74/10/67/1104741067.db2.gz BHBXDDVWEAXXTM-CRAIPNDOSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@@H](C)[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246931640 1104741071 /nfs/dbraw/zinc/74/10/71/1104741071.db2.gz BHBXDDVWEAXXTM-CRAIPNDOSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246931642 1104742125 /nfs/dbraw/zinc/74/21/25/1104742125.db2.gz BHBXDDVWEAXXTM-QAPCUYQASA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@@H](C)[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246931642 1104742130 /nfs/dbraw/zinc/74/21/30/1104742130.db2.gz BHBXDDVWEAXXTM-QAPCUYQASA-N 2 2 308.441 3.195 20 0 DGADLP Fc1cccc(C[N@H+](C2CCSCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933053 1104743108 /nfs/dbraw/zinc/74/31/08/1104743108.db2.gz GCDATNDTSFZHQJ-QGZVFWFLSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@@H+](C2CCSCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933053 1104743112 /nfs/dbraw/zinc/74/31/12/1104743112.db2.gz GCDATNDTSFZHQJ-QGZVFWFLSA-N 2 2 308.466 3.275 20 0 DGADLP Clc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@H]2CCC[NH2+]CC2)cc1 ZINC001246948010 1104748353 /nfs/dbraw/zinc/74/83/53/1104748353.db2.gz ZNKXFNCIAZSPJH-KRWDZBQOSA-N 3 2 321.896 3.036 20 0 DGADLP Clc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCC[NH2+]CC2)cc1 ZINC001246948010 1104748358 /nfs/dbraw/zinc/74/83/58/1104748358.db2.gz ZNKXFNCIAZSPJH-KRWDZBQOSA-N 3 2 321.896 3.036 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977369 1104760147 /nfs/dbraw/zinc/76/01/47/1104760147.db2.gz HDBSICMLJUFYHP-BPQIPLTHSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246977369 1104760148 /nfs/dbraw/zinc/76/01/48/1104760148.db2.gz HDBSICMLJUFYHP-BPQIPLTHSA-N 2 2 322.493 3.105 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912260 1104954190 /nfs/dbraw/zinc/95/41/90/1104954190.db2.gz ODJDDAGNMVXWMJ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912260 1104954194 /nfs/dbraw/zinc/95/41/94/1104954194.db2.gz ODJDDAGNMVXWMJ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912260 1104954196 /nfs/dbraw/zinc/95/41/96/1104954196.db2.gz ODJDDAGNMVXWMJ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001275912260 1104954201 /nfs/dbraw/zinc/95/42/01/1104954201.db2.gz ODJDDAGNMVXWMJ-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nc(-c3cccc4occc43)no2)cc1 ZINC001247698112 1104959170 /nfs/dbraw/zinc/95/91/70/1104959170.db2.gz IJOAMHGRIWNNHO-HNNXBMFYSA-N 2 2 320.352 3.108 20 0 DGADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccoc1 ZINC001275943182 1104964842 /nfs/dbraw/zinc/96/48/42/1104964842.db2.gz CFNLVJRIYHRJGL-MQVJKMGUSA-N 2 2 317.458 3.330 20 0 DGADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccoc1 ZINC001275943182 1104964846 /nfs/dbraw/zinc/96/48/46/1104964846.db2.gz CFNLVJRIYHRJGL-MQVJKMGUSA-N 2 2 317.458 3.330 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]C[C@H]3C[C@@H]3C)(C1)CCC2 ZINC001276032235 1104992146 /nfs/dbraw/zinc/99/21/46/1104992146.db2.gz MREIGKMMUIFPTQ-ISARSNTHSA-N 2 2 316.493 3.084 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276198063 1105045782 /nfs/dbraw/zinc/04/57/82/1105045782.db2.gz URTAXHAJRNARJV-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276198063 1105045787 /nfs/dbraw/zinc/04/57/87/1105045787.db2.gz URTAXHAJRNARJV-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276198063 1105045793 /nfs/dbraw/zinc/04/57/93/1105045793.db2.gz URTAXHAJRNARJV-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276198063 1105045798 /nfs/dbraw/zinc/04/57/98/1105045798.db2.gz URTAXHAJRNARJV-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001256825832 1105076106 /nfs/dbraw/zinc/07/61/06/1105076106.db2.gz CNDNRZGKDBQJOS-GXTWGEPZSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001256825832 1105076113 /nfs/dbraw/zinc/07/61/13/1105076113.db2.gz CNDNRZGKDBQJOS-GXTWGEPZSA-N 2 2 311.267 3.064 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-c3ccn(C)n3)cc2)CC1 ZINC001248767749 1105158523 /nfs/dbraw/zinc/15/85/23/1105158523.db2.gz UGINLLKSLAJTNW-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-c3ccn(C)n3)cc2)CC1 ZINC001248767749 1105158524 /nfs/dbraw/zinc/15/85/24/1105158524.db2.gz UGINLLKSLAJTNW-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC001248801741 1105164955 /nfs/dbraw/zinc/16/49/55/1105164955.db2.gz FHTRPISKBRAITC-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC001248801741 1105164958 /nfs/dbraw/zinc/16/49/58/1105164958.db2.gz FHTRPISKBRAITC-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC001248801741 1105164961 /nfs/dbraw/zinc/16/49/61/1105164961.db2.gz FHTRPISKBRAITC-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC001248801741 1105164963 /nfs/dbraw/zinc/16/49/63/1105164963.db2.gz FHTRPISKBRAITC-HDICACEKSA-N 2 2 313.470 3.015 20 0 DGADLP CC[N@H+](Cc1cn(C)c2ccnc(Cl)c12)C1CC[NH+](C)CC1 ZINC001248837113 1105175838 /nfs/dbraw/zinc/17/58/38/1105175838.db2.gz PPIQGEDZACNOKS-UHFFFAOYSA-N 2 2 320.868 3.143 20 0 DGADLP CC[N@@H+](Cc1cn(C)c2ccnc(Cl)c12)C1CC[NH+](C)CC1 ZINC001248837113 1105175840 /nfs/dbraw/zinc/17/58/40/1105175840.db2.gz PPIQGEDZACNOKS-UHFFFAOYSA-N 2 2 320.868 3.143 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248881671 1105185855 /nfs/dbraw/zinc/18/58/55/1105185855.db2.gz CRJAIJOSMJTEJR-ZDUSSCGKSA-N 2 2 311.389 3.011 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248960759 1105201927 /nfs/dbraw/zinc/20/19/27/1105201927.db2.gz DRUWSZLNXUOSKA-OAHLLOKOSA-N 2 2 323.400 3.120 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248960759 1105201928 /nfs/dbraw/zinc/20/19/28/1105201928.db2.gz DRUWSZLNXUOSKA-OAHLLOKOSA-N 2 2 323.400 3.120 20 0 DGADLP CC(C)[C@H](c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)[NH+](C)C ZINC001249200839 1105245861 /nfs/dbraw/zinc/24/58/61/1105245861.db2.gz RBPBKWWCDKRXKU-OAHLLOKOSA-N 2 2 311.389 3.181 20 0 DGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC001250009839 1105426881 /nfs/dbraw/zinc/42/68/81/1105426881.db2.gz OKGDEIBUYDVNQO-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC001250009839 1105426885 /nfs/dbraw/zinc/42/68/85/1105426885.db2.gz OKGDEIBUYDVNQO-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP c1[nH]c2ncccc2c1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001137398176 1105514483 /nfs/dbraw/zinc/51/44/83/1105514483.db2.gz YCTGBVSBIKHSJX-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccnc(C)c4)C[C@@H]3C2)cc1 ZINC001137409895 1105517333 /nfs/dbraw/zinc/51/73/33/1105517333.db2.gz LNRBMAMKFDTLRJ-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP CC[N@H+](Cc1cc2c(c(OC)c1)OCC=C2)C1CC[NH+](C)CC1 ZINC001250509864 1105527399 /nfs/dbraw/zinc/52/73/99/1105527399.db2.gz BWCJERUTXMOLTG-UHFFFAOYSA-N 2 2 316.445 3.017 20 0 DGADLP CC[N@@H+](Cc1cc2c(c(OC)c1)OCC=C2)C1CC[NH+](C)CC1 ZINC001250509864 1105527406 /nfs/dbraw/zinc/52/74/06/1105527406.db2.gz BWCJERUTXMOLTG-UHFFFAOYSA-N 2 2 316.445 3.017 20 0 DGADLP C[C@@H](c1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1)c1ccccc1 ZINC001250561712 1105537173 /nfs/dbraw/zinc/53/71/73/1105537173.db2.gz GDPAIPTZSCKCTL-OAHLLOKOSA-N 2 2 320.440 3.467 20 0 DGADLP C[NH+]1CCN(c2ccc3[nH]c(Cc4cccc(F)c4)[nH+]c3c2)CC1 ZINC001250567424 1105538438 /nfs/dbraw/zinc/53/84/38/1105538438.db2.gz JCHPPXLJIPOAAZ-UHFFFAOYSA-N 2 2 324.403 3.045 20 0 DGADLP CN(C)c1ccc2[nH]c(-c3cc(F)cc(C[NH+](C)C)c3)[nH+]c2c1 ZINC001251070103 1105626139 /nfs/dbraw/zinc/62/61/39/1105626139.db2.gz KNBDLFOHKNOGNE-UHFFFAOYSA-N 2 2 312.392 3.497 20 0 DGADLP CCCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252099065 1105739131 /nfs/dbraw/zinc/73/91/31/1105739131.db2.gz YNXNKZHOYDRMPH-LJQANCHMSA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252099065 1105739133 /nfs/dbraw/zinc/73/91/33/1105739133.db2.gz YNXNKZHOYDRMPH-LJQANCHMSA-N 2 2 322.468 3.273 20 0 DGADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001491492098 1105834258 /nfs/dbraw/zinc/83/42/58/1105834258.db2.gz VCXXFLAFUZHUFH-CVEARBPZSA-N 2 2 322.497 3.001 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001253189071 1105900422 /nfs/dbraw/zinc/90/04/22/1105900422.db2.gz FOGACYXGVVUCDV-APWZRJJASA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001253189071 1105900427 /nfs/dbraw/zinc/90/04/27/1105900427.db2.gz FOGACYXGVVUCDV-APWZRJJASA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253189076 1105900519 /nfs/dbraw/zinc/90/05/19/1105900519.db2.gz FOQHQGJLNOMWOJ-RHSMWYFYSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253189076 1105900525 /nfs/dbraw/zinc/90/05/25/1105900525.db2.gz FOQHQGJLNOMWOJ-RHSMWYFYSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253189866 1105900656 /nfs/dbraw/zinc/90/06/56/1105900656.db2.gz MCQCTYMEUJZKCN-IRXDYDNUSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253189866 1105900661 /nfs/dbraw/zinc/90/06/61/1105900661.db2.gz MCQCTYMEUJZKCN-IRXDYDNUSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC001253208809 1105903382 /nfs/dbraw/zinc/90/33/82/1105903382.db2.gz SYGOXGYGBLHUDI-XHDPSFHLSA-N 2 2 319.276 3.347 20 0 DGADLP CCCCC[C@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253536400 1105952133 /nfs/dbraw/zinc/95/21/33/1105952133.db2.gz GGPZCUMLYKYYEN-SFHVURJKSA-N 2 2 301.434 3.245 20 0 DGADLP CCCCC[C@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001253536400 1105952136 /nfs/dbraw/zinc/95/21/36/1105952136.db2.gz GGPZCUMLYKYYEN-SFHVURJKSA-N 2 2 301.434 3.245 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253731724 1105976318 /nfs/dbraw/zinc/97/63/18/1105976318.db2.gz UTJRNDBXMIDZGA-GOSISDBHSA-N 2 2 322.468 3.129 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC001253731724 1105976323 /nfs/dbraw/zinc/97/63/23/1105976323.db2.gz UTJRNDBXMIDZGA-GOSISDBHSA-N 2 2 322.468 3.129 20 0 DGADLP FC1(F)CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001254221353 1106038268 /nfs/dbraw/zinc/03/82/68/1106038268.db2.gz YTFCCEGMBKSGIU-GJZGRUSLSA-N 2 2 321.415 3.023 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519419 1106089754 /nfs/dbraw/zinc/08/97/54/1106089754.db2.gz IDRWCWQFHSXVSW-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP C[N@H+]1CCC[C@H]([NH+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519419 1106089756 /nfs/dbraw/zinc/08/97/56/1106089756.db2.gz IDRWCWQFHSXVSW-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]([N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519419 1106089760 /nfs/dbraw/zinc/08/97/60/1106089760.db2.gz IDRWCWQFHSXVSW-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP C[NH+]1CCC[C@H]([N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001254519419 1106089766 /nfs/dbraw/zinc/08/97/66/1106089766.db2.gz IDRWCWQFHSXVSW-AWEZNQCLSA-N 2 2 323.278 3.292 20 0 DGADLP COc1ccc(CC(C)(C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254845214 1106148154 /nfs/dbraw/zinc/14/81/54/1106148154.db2.gz NVQYFSRUQPWPSX-QGZVFWFLSA-N 2 2 302.462 3.090 20 0 DGADLP C1=C2CCC[NH+](C3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001255043995 1106172399 /nfs/dbraw/zinc/17/23/99/1106172399.db2.gz HDNAGMMMPLQNHD-ONCXSQPRSA-N 2 2 316.489 3.060 20 0 DGADLP C1=C2CCC[NH+](C3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001255043995 1106172400 /nfs/dbraw/zinc/17/24/00/1106172400.db2.gz HDNAGMMMPLQNHD-ONCXSQPRSA-N 2 2 316.489 3.060 20 0 DGADLP C1=C2CCC[N@H+](C3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001255043995 1106172402 /nfs/dbraw/zinc/17/24/02/1106172402.db2.gz HDNAGMMMPLQNHD-ONCXSQPRSA-N 2 2 316.489 3.060 20 0 DGADLP C1=C2CCC[N@@H+](C3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001255043995 1106172403 /nfs/dbraw/zinc/17/24/03/1106172403.db2.gz HDNAGMMMPLQNHD-ONCXSQPRSA-N 2 2 316.489 3.060 20 0 DGADLP Cc1oncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123120 1106184154 /nfs/dbraw/zinc/18/41/54/1106184154.db2.gz YEVQUJSGXWLUHQ-REPLKXPHSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1oncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123120 1106184157 /nfs/dbraw/zinc/18/41/57/1106184157.db2.gz YEVQUJSGXWLUHQ-REPLKXPHSA-N 2 2 311.429 3.268 20 0 DGADLP F[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140007 1106189222 /nfs/dbraw/zinc/18/92/22/1106189222.db2.gz HFQLTRLWFUEAHR-CFSBILQPSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140007 1106189224 /nfs/dbraw/zinc/18/92/24/1106189224.db2.gz HFQLTRLWFUEAHR-CFSBILQPSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140007 1106189228 /nfs/dbraw/zinc/18/92/28/1106189228.db2.gz HFQLTRLWFUEAHR-CFSBILQPSA-N 2 2 314.448 3.472 20 0 DGADLP F[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001255140007 1106189232 /nfs/dbraw/zinc/18/92/32/1106189232.db2.gz HFQLTRLWFUEAHR-CFSBILQPSA-N 2 2 314.448 3.472 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255387068 1106237389 /nfs/dbraw/zinc/23/73/89/1106237389.db2.gz PVKHJIMDYMMQHE-GOSISDBHSA-N 2 2 312.461 3.047 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255387068 1106237393 /nfs/dbraw/zinc/23/73/93/1106237393.db2.gz PVKHJIMDYMMQHE-GOSISDBHSA-N 2 2 312.461 3.047 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3(c4cccnn4)CC3)CC2)cc1 ZINC001255386461 1106238585 /nfs/dbraw/zinc/23/85/85/1106238585.db2.gz MXAGWPBXPACODO-SFHVURJKSA-N 2 2 322.456 3.110 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3(c4cccnn4)CC3)CC2)cc1 ZINC001255386461 1106238587 /nfs/dbraw/zinc/23/85/87/1106238587.db2.gz MXAGWPBXPACODO-SFHVURJKSA-N 2 2 322.456 3.110 20 0 DGADLP Fc1cnccc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255387982 1106239831 /nfs/dbraw/zinc/23/98/31/1106239831.db2.gz WUPYOMJPRJPPRW-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cnccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255387982 1106239834 /nfs/dbraw/zinc/23/98/34/1106239834.db2.gz WUPYOMJPRJPPRW-SFHVURJKSA-N 2 2 313.420 3.365 20 0 DGADLP O=C1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255401380 1106245103 /nfs/dbraw/zinc/24/51/03/1106245103.db2.gz UAABBSASHJXUFT-GOSISDBHSA-N 2 2 300.446 3.096 20 0 DGADLP O=C1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255401380 1106245106 /nfs/dbraw/zinc/24/51/06/1106245106.db2.gz UAABBSASHJXUFT-GOSISDBHSA-N 2 2 300.446 3.096 20 0 DGADLP O=C1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255401380 1106245109 /nfs/dbraw/zinc/24/51/09/1106245109.db2.gz UAABBSASHJXUFT-GOSISDBHSA-N 2 2 300.446 3.096 20 0 DGADLP O=C1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255401380 1106245111 /nfs/dbraw/zinc/24/51/11/1106245111.db2.gz UAABBSASHJXUFT-GOSISDBHSA-N 2 2 300.446 3.096 20 0 DGADLP CC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408733 1106245884 /nfs/dbraw/zinc/24/58/84/1106245884.db2.gz PTRDGZZSKMLSJU-VQTJNVASSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@H]1CCCC[N@H+]1[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408733 1106245888 /nfs/dbraw/zinc/24/58/88/1106245888.db2.gz PTRDGZZSKMLSJU-VQTJNVASSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@H]1CCCC[NH+]1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408733 1106245890 /nfs/dbraw/zinc/24/58/90/1106245890.db2.gz PTRDGZZSKMLSJU-VQTJNVASSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@H]1CCCC[NH+]1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408733 1106245893 /nfs/dbraw/zinc/24/58/93/1106245893.db2.gz PTRDGZZSKMLSJU-VQTJNVASSA-N 2 2 314.473 3.485 20 0 DGADLP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001255640026 1106282475 /nfs/dbraw/zinc/28/24/75/1106282475.db2.gz NDJLIDIBNREIIX-GFCCVEGCSA-N 2 2 316.367 3.287 20 0 DGADLP COc1ccc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001255667432 1106290492 /nfs/dbraw/zinc/29/04/92/1106290492.db2.gz HNVRLRHMFXTZNB-YHWZYXNKSA-N 2 2 310.388 3.078 20 0 DGADLP COc1ccc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001255667432 1106290496 /nfs/dbraw/zinc/29/04/96/1106290496.db2.gz HNVRLRHMFXTZNB-YHWZYXNKSA-N 2 2 310.388 3.078 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001255939706 1106345395 /nfs/dbraw/zinc/34/53/95/1106345395.db2.gz IDOFBMMEOIOYLG-SFHVURJKSA-N 3 2 317.521 3.361 20 0 DGADLP CC[NH+](CC)CC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953608 1106348732 /nfs/dbraw/zinc/34/87/32/1106348732.db2.gz LVFNAERBOZRSAM-BZSNNMDCSA-N 3 2 318.509 3.278 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001255957229 1106349595 /nfs/dbraw/zinc/34/95/95/1106349595.db2.gz QAMCUJTZICGMAC-CABCVRRESA-N 2 2 314.470 3.133 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001255957229 1106349598 /nfs/dbraw/zinc/34/95/98/1106349598.db2.gz QAMCUJTZICGMAC-CABCVRRESA-N 2 2 314.470 3.133 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001255955575 1106349773 /nfs/dbraw/zinc/34/97/73/1106349773.db2.gz CEAFJSSKRHANKJ-SFHVURJKSA-N 2 2 303.494 3.237 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC001255960091 1106349836 /nfs/dbraw/zinc/34/98/36/1106349836.db2.gz FFJPLEBNYVIONK-MRXNPFEDSA-N 2 2 322.468 3.230 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001255970799 1106353174 /nfs/dbraw/zinc/35/31/74/1106353174.db2.gz FXRICWMBJHXXHD-MRXNPFEDSA-N 2 2 307.457 3.068 20 0 DGADLP c1ccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078034 1106366701 /nfs/dbraw/zinc/36/67/01/1106366701.db2.gz SSQAFFWIARRGMS-LJQANCHMSA-N 2 2 300.446 3.157 20 0 DGADLP c1ccc(O[C@@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC001256078034 1106366708 /nfs/dbraw/zinc/36/67/08/1106366708.db2.gz SSQAFFWIARRGMS-LJQANCHMSA-N 2 2 300.446 3.157 20 0 DGADLP CC[N@H+](CCc1ccc(OC)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081702 1106367507 /nfs/dbraw/zinc/36/75/07/1106367507.db2.gz KSYVKJGFEBCVJT-UHFFFAOYSA-N 2 2 302.462 3.186 20 0 DGADLP CC[N@@H+](CCc1ccc(OC)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081702 1106367510 /nfs/dbraw/zinc/36/75/10/1106367510.db2.gz KSYVKJGFEBCVJT-UHFFFAOYSA-N 2 2 302.462 3.186 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC001256147740 1106377726 /nfs/dbraw/zinc/37/77/26/1106377726.db2.gz FXNVUSDPROOPAU-SJORKVTESA-N 2 2 304.478 3.336 20 0 DGADLP C[C@H]1OC2(CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC001256214510 1106392101 /nfs/dbraw/zinc/39/21/01/1106392101.db2.gz KOQOJYGFYWQAPI-OAHLLOKOSA-N 2 2 300.446 3.163 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)C1 ZINC001256324376 1106405864 /nfs/dbraw/zinc/40/58/64/1106405864.db2.gz LDNSMAHOZDBWIX-WMZOPIPTSA-N 2 2 317.477 3.116 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256528613 1106434458 /nfs/dbraw/zinc/43/44/58/1106434458.db2.gz IPHFFXPAFSGDLA-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256528613 1106434460 /nfs/dbraw/zinc/43/44/60/1106434460.db2.gz IPHFFXPAFSGDLA-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256532004 1106435264 /nfs/dbraw/zinc/43/52/64/1106435264.db2.gz WMMCNOXUCCXKJY-PKOBYXMFSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001256532004 1106435267 /nfs/dbraw/zinc/43/52/67/1106435267.db2.gz WMMCNOXUCCXKJY-PKOBYXMFSA-N 3 2 317.521 3.359 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538111 1106437900 /nfs/dbraw/zinc/43/79/00/1106437900.db2.gz QXZQPTLNYZESNZ-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538111 1106437902 /nfs/dbraw/zinc/43/79/02/1106437902.db2.gz QXZQPTLNYZESNZ-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538111 1106437905 /nfs/dbraw/zinc/43/79/05/1106437905.db2.gz QXZQPTLNYZESNZ-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256538111 1106437908 /nfs/dbraw/zinc/43/79/08/1106437908.db2.gz QXZQPTLNYZESNZ-BMFAXAFESA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCCCC23COC3)CC[N@@H+]1Cc1ccccc1 ZINC001256549935 1106441295 /nfs/dbraw/zinc/44/12/95/1106441295.db2.gz KAQSOWVMNOBKDR-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCCCC23COC3)CC[N@H+]1Cc1ccccc1 ZINC001256549935 1106441298 /nfs/dbraw/zinc/44/12/98/1106441298.db2.gz KAQSOWVMNOBKDR-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549935 1106441300 /nfs/dbraw/zinc/44/13/00/1106441300.db2.gz KAQSOWVMNOBKDR-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549935 1106441302 /nfs/dbraw/zinc/44/13/02/1106441302.db2.gz KAQSOWVMNOBKDR-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554178 1106442414 /nfs/dbraw/zinc/44/24/14/1106442414.db2.gz OHYYKVYZUMMDQM-DBVUQKKJSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554178 1106442416 /nfs/dbraw/zinc/44/24/16/1106442416.db2.gz OHYYKVYZUMMDQM-DBVUQKKJSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554178 1106442418 /nfs/dbraw/zinc/44/24/18/1106442418.db2.gz OHYYKVYZUMMDQM-DBVUQKKJSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256554178 1106442421 /nfs/dbraw/zinc/44/24/21/1106442421.db2.gz OHYYKVYZUMMDQM-DBVUQKKJSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553360 1106442919 /nfs/dbraw/zinc/44/29/19/1106442919.db2.gz FQQGOWZYASEWMN-NTDBWNAOSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553360 1106442921 /nfs/dbraw/zinc/44/29/21/1106442921.db2.gz FQQGOWZYASEWMN-NTDBWNAOSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553360 1106442923 /nfs/dbraw/zinc/44/29/23/1106442923.db2.gz FQQGOWZYASEWMN-NTDBWNAOSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001256553360 1106442925 /nfs/dbraw/zinc/44/29/25/1106442925.db2.gz FQQGOWZYASEWMN-NTDBWNAOSA-N 2 2 302.462 3.149 20 0 DGADLP C[N@H+](CCC(=O)c1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572929 1106448307 /nfs/dbraw/zinc/44/83/07/1106448307.db2.gz ACIDJIFSZHXSLY-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP C[N@@H+](CCC(=O)c1ccccc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572929 1106448309 /nfs/dbraw/zinc/44/83/09/1106448309.db2.gz ACIDJIFSZHXSLY-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP COc1cccc2c1CC[C@H]([N@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001256632668 1106457804 /nfs/dbraw/zinc/45/78/04/1106457804.db2.gz KDQWQDIRILBRKZ-SFHVURJKSA-N 2 2 310.441 3.013 20 0 DGADLP COc1cccc2c1CC[C@H]([N@@H+](CC[NH3+])Cc1ccccc1)C2 ZINC001256632668 1106457807 /nfs/dbraw/zinc/45/78/07/1106457807.db2.gz KDQWQDIRILBRKZ-SFHVURJKSA-N 2 2 310.441 3.013 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001256641095 1106460776 /nfs/dbraw/zinc/46/07/76/1106460776.db2.gz KGWZCKYKTMUUFA-ROUUACIJSA-N 2 2 314.473 3.017 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001256641095 1106460778 /nfs/dbraw/zinc/46/07/78/1106460778.db2.gz KGWZCKYKTMUUFA-ROUUACIJSA-N 2 2 314.473 3.017 20 0 DGADLP C[C@H](Cc1ccncc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256732692 1106476161 /nfs/dbraw/zinc/47/61/61/1106476161.db2.gz QCVMRAKYELIANU-KBAYOESNSA-N 2 2 310.445 3.184 20 0 DGADLP c1ccc([C@H]2C[C@@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001256787581 1106483206 /nfs/dbraw/zinc/48/32/06/1106483206.db2.gz SBRSZSSNDTWOLB-RBUKOAKNSA-N 2 2 302.462 3.372 20 0 DGADLP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793994 1106484803 /nfs/dbraw/zinc/48/48/03/1106484803.db2.gz GBBYRUTZQLDCJQ-HSALFYBXSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793994 1106484807 /nfs/dbraw/zinc/48/48/07/1106484807.db2.gz GBBYRUTZQLDCJQ-HSALFYBXSA-N 2 2 314.473 3.371 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256793574 1106485080 /nfs/dbraw/zinc/48/50/80/1106485080.db2.gz BXBDAQWQXQUEDA-QYZOEREBSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256793574 1106485084 /nfs/dbraw/zinc/48/50/84/1106485084.db2.gz BXBDAQWQXQUEDA-QYZOEREBSA-N 2 2 302.462 3.227 20 0 DGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796620 1106485812 /nfs/dbraw/zinc/48/58/12/1106485812.db2.gz SHZLEMUFBDSZPT-AOIWGVFYSA-N 2 2 300.446 3.123 20 0 DGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001256796620 1106485816 /nfs/dbraw/zinc/48/58/16/1106485816.db2.gz SHZLEMUFBDSZPT-AOIWGVFYSA-N 2 2 300.446 3.123 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256804527 1106487311 /nfs/dbraw/zinc/48/73/11/1106487311.db2.gz NRRAKVNLICMCGD-ACRUOGEOSA-N 2 2 322.452 3.292 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256804527 1106487313 /nfs/dbraw/zinc/48/73/13/1106487313.db2.gz NRRAKVNLICMCGD-ACRUOGEOSA-N 2 2 322.452 3.292 20 0 DGADLP C[C@H](Cc1ccccc1Br)[NH2+]CC[NH+]1CCCC1 ZINC001256823761 1106491101 /nfs/dbraw/zinc/49/11/01/1106491101.db2.gz FWYNULGQUZFEQT-CYBMUJFWSA-N 2 2 311.267 3.066 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001257213481 1106552582 /nfs/dbraw/zinc/55/25/82/1106552582.db2.gz OJVAKXYGJLHIIH-UHFFFAOYSA-N 2 2 314.473 3.454 20 0 DGADLP CCCC(CCC)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257336574 1106569774 /nfs/dbraw/zinc/56/97/74/1106569774.db2.gz CESFGMGDVZEFEN-UHFFFAOYSA-N 2 2 304.482 3.263 20 0 DGADLP CCCC(CCC)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257336574 1106569777 /nfs/dbraw/zinc/56/97/77/1106569777.db2.gz CESFGMGDVZEFEN-UHFFFAOYSA-N 2 2 304.482 3.263 20 0 DGADLP c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C2CCCCC2)[nH+]c1 ZINC001257457259 1106593155 /nfs/dbraw/zinc/59/31/55/1106593155.db2.gz CJQVLMSBGLAJEI-QGZVFWFLSA-N 2 2 315.461 3.132 20 0 DGADLP CCCCC[C@@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257510843 1106600280 /nfs/dbraw/zinc/60/02/80/1106600280.db2.gz RVKQJSQFVPRIRP-MRXNPFEDSA-N 2 2 304.482 3.263 20 0 DGADLP CCCCC[C@@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001257510843 1106600283 /nfs/dbraw/zinc/60/02/83/1106600283.db2.gz RVKQJSQFVPRIRP-MRXNPFEDSA-N 2 2 304.482 3.263 20 0 DGADLP CCCCC[C@H](C)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257515712 1106600973 /nfs/dbraw/zinc/60/09/73/1106600973.db2.gz UGAJIJXAXXWHMY-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CCCCC[C@H](C)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257515712 1106600975 /nfs/dbraw/zinc/60/09/75/1106600975.db2.gz UGAJIJXAXXWHMY-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CCCCC[C@H](C)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001257515712 1106600977 /nfs/dbraw/zinc/60/09/77/1106600977.db2.gz UGAJIJXAXXWHMY-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CCCCC[C@H](C)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001257515712 1106600979 /nfs/dbraw/zinc/60/09/79/1106600979.db2.gz UGAJIJXAXXWHMY-INIZCTEOSA-N 2 2 321.513 3.293 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001258007536 1106656416 /nfs/dbraw/zinc/65/64/16/1106656416.db2.gz GHPUETGAMMBOKA-SFHVURJKSA-N 2 2 305.441 3.382 20 0 DGADLP COc1cccnc1[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC001258007770 1106657400 /nfs/dbraw/zinc/65/74/00/1106657400.db2.gz RVCWCDTVFJYEOK-GOSISDBHSA-N 2 2 317.477 3.251 20 0 DGADLP CC(C)=CCC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258095084 1106671455 /nfs/dbraw/zinc/67/14/55/1106671455.db2.gz XYWXTAVTKHRMCZ-INIZCTEOSA-N 2 2 302.466 3.350 20 0 DGADLP CCOC(=O)CCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258130397 1106679052 /nfs/dbraw/zinc/67/90/52/1106679052.db2.gz HLIPACOUZWMUFJ-INIZCTEOSA-N 2 2 324.509 3.447 20 0 DGADLP CCOC(=O)CCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258130397 1106679054 /nfs/dbraw/zinc/67/90/54/1106679054.db2.gz HLIPACOUZWMUFJ-INIZCTEOSA-N 2 2 324.509 3.447 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H](C)C1 ZINC001258165009 1106684586 /nfs/dbraw/zinc/68/45/86/1106684586.db2.gz LKGACWHKVZTSOF-VQFNDLOPSA-N 2 2 316.493 3.119 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H](C)C1 ZINC001258165009 1106684587 /nfs/dbraw/zinc/68/45/87/1106684587.db2.gz LKGACWHKVZTSOF-VQFNDLOPSA-N 2 2 316.493 3.119 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCSC)CC2)cc1 ZINC001258200675 1106695953 /nfs/dbraw/zinc/69/59/53/1106695953.db2.gz WMADNKXYVHCFPR-HNNXBMFYSA-N 2 2 322.518 3.391 20 0 DGADLP CSCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258207074 1106696511 /nfs/dbraw/zinc/69/65/11/1106696511.db2.gz RYXOWVNHYMSWQS-CQSZACIVSA-N 2 2 308.491 3.088 20 0 DGADLP CC1(C)CCC[C@H]([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C1 ZINC001258286221 1106709467 /nfs/dbraw/zinc/70/94/67/1106709467.db2.gz IYGLGZCVVSXICI-KRWDZBQOSA-N 2 2 316.493 3.263 20 0 DGADLP CC1(C)CCC[C@H]([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C1 ZINC001258286221 1106709474 /nfs/dbraw/zinc/70/94/74/1106709474.db2.gz IYGLGZCVVSXICI-KRWDZBQOSA-N 2 2 316.493 3.263 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC001258393990 1106728605 /nfs/dbraw/zinc/72/86/05/1106728605.db2.gz GPRZNCLDFWBYDN-RDJZCZTQSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)cc1 ZINC001258393990 1106728610 /nfs/dbraw/zinc/72/86/10/1106728610.db2.gz GPRZNCLDFWBYDN-RDJZCZTQSA-N 2 2 302.462 3.233 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)c1ccccc1 ZINC001320927073 1107192373 /nfs/dbraw/zinc/19/23/73/1107192373.db2.gz PEJLBLODUUOMCB-CYBMUJFWSA-N 2 2 306.369 3.318 20 0 DGADLP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+][C@H]3C[C@@H]4COC[C@@H]43)C2)cc1 ZINC001474662961 1107255095 /nfs/dbraw/zinc/25/50/95/1107255095.db2.gz CQWIIZZIWHVNQX-ZRNYENFQSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+][C@H]3C[C@@H]4COC[C@@H]43)C2)cc1 ZINC001474662961 1107255101 /nfs/dbraw/zinc/25/51/01/1107255101.db2.gz CQWIIZZIWHVNQX-ZRNYENFQSA-N 2 2 314.473 3.056 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+](C)C ZINC001262207346 1107651783 /nfs/dbraw/zinc/65/17/83/1107651783.db2.gz ZBSYQWLXYDOHGU-KBXCAEBGSA-N 2 2 315.461 3.102 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C(C)C)n1 ZINC001322589796 1107711835 /nfs/dbraw/zinc/71/18/35/1107711835.db2.gz YETYMIRXVSBTOJ-UHFFFAOYSA-N 2 2 321.384 3.346 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3[NH2+]CC34CCCC4)c2)[nH+]c1C ZINC001263067246 1107928393 /nfs/dbraw/zinc/92/83/93/1107928393.db2.gz HZPNQAJNHYTMCB-MRXNPFEDSA-N 2 2 324.428 3.164 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC000378909733 1108001810 /nfs/dbraw/zinc/00/18/10/1108001810.db2.gz HTXZZDZXUDFURI-SFHVURJKSA-N 2 2 302.462 3.018 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C)cc1C ZINC001318542462 1108088797 /nfs/dbraw/zinc/08/87/97/1108088797.db2.gz YPDZMKFZEQKWOA-UHFFFAOYSA-N 2 2 306.369 3.445 20 0 DGADLP CCc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC001323888531 1108114568 /nfs/dbraw/zinc/11/45/68/1108114568.db2.gz AUGWZCYQYKDLHG-CQSZACIVSA-N 2 2 303.475 3.499 20 0 DGADLP CCc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC001323888531 1108114570 /nfs/dbraw/zinc/11/45/70/1108114570.db2.gz AUGWZCYQYKDLHG-CQSZACIVSA-N 2 2 303.475 3.499 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)sc2C1 ZINC001324456062 1108295797 /nfs/dbraw/zinc/29/57/97/1108295797.db2.gz NKSFSZMCETWXIU-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)sc2C1 ZINC001324456062 1108295811 /nfs/dbraw/zinc/29/58/11/1108295811.db2.gz NKSFSZMCETWXIU-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)sc2C1 ZINC001324456062 1108295820 /nfs/dbraw/zinc/29/58/20/1108295820.db2.gz NKSFSZMCETWXIU-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)sc2C1 ZINC001324456062 1108295830 /nfs/dbraw/zinc/29/58/30/1108295830.db2.gz NKSFSZMCETWXIU-YCPHGPKFSA-N 2 2 319.518 3.184 20 0 DGADLP CCc1ccc(CC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001324515995 1108325846 /nfs/dbraw/zinc/32/58/46/1108325846.db2.gz KCWKYGRJUNDYCT-LJQANCHMSA-N 2 2 311.473 3.480 20 0 DGADLP CCc1ccc(CC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001324515995 1108325859 /nfs/dbraw/zinc/32/58/59/1108325859.db2.gz KCWKYGRJUNDYCT-LJQANCHMSA-N 2 2 311.473 3.480 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc3c(n2)CCC3)[nH+]1 ZINC001324739447 1108447537 /nfs/dbraw/zinc/44/75/37/1108447537.db2.gz IXTNXUHPMURUKP-SFHVURJKSA-N 2 2 322.456 3.350 20 0 DGADLP CS[C@@H](C)CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319781414 1108633398 /nfs/dbraw/zinc/63/33/98/1108633398.db2.gz GXQFNWOMISXIMG-NSHDSACASA-N 2 2 304.419 3.046 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000393401326 1109007347 /nfs/dbraw/zinc/00/73/47/1109007347.db2.gz XUOVAVHQIKZXMD-GOSISDBHSA-N 2 2 323.444 3.273 20 0 DGADLP C[NH+](C)CC(C)(C)[NH2+]CCCc1ccccc1Br ZINC001307817938 1111343541 /nfs/dbraw/zinc/34/35/41/1111343541.db2.gz OFJYLANQFUDNOL-UHFFFAOYSA-N 2 2 313.283 3.312 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001308166409 1111389074 /nfs/dbraw/zinc/38/90/74/1111389074.db2.gz WXFUENYVEXCEDB-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001308166409 1111389078 /nfs/dbraw/zinc/38/90/78/1111389078.db2.gz WXFUENYVEXCEDB-CYBMUJFWSA-N 2 2 304.463 3.474 20 0 DGADLP CC[C@H](C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001308189120 1111392547 /nfs/dbraw/zinc/39/25/47/1111392547.db2.gz SFMUOYZRDCGFIY-FGTMMUONSA-N 2 2 304.478 3.269 20 0 DGADLP CC[C@H](C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001308189120 1111392551 /nfs/dbraw/zinc/39/25/51/1111392551.db2.gz SFMUOYZRDCGFIY-FGTMMUONSA-N 2 2 304.478 3.269 20 0 DGADLP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)C[NH+]1CCCCC1 ZINC001308216740 1111398782 /nfs/dbraw/zinc/39/87/82/1111398782.db2.gz ZTCWIEGVVTVKHP-MRXNPFEDSA-N 2 2 312.461 3.288 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC001308327576 1111416870 /nfs/dbraw/zinc/41/68/70/1111416870.db2.gz MNPWPFLEIRZSTA-ZAWLATJESA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC001308327576 1111416872 /nfs/dbraw/zinc/41/68/72/1111416872.db2.gz MNPWPFLEIRZSTA-ZAWLATJESA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC001308327576 1111416874 /nfs/dbraw/zinc/41/68/74/1111416874.db2.gz MNPWPFLEIRZSTA-ZAWLATJESA-N 2 2 313.489 3.037 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC001308327576 1111416876 /nfs/dbraw/zinc/41/68/76/1111416876.db2.gz MNPWPFLEIRZSTA-ZAWLATJESA-N 2 2 313.489 3.037 20 0 DGADLP CCCn1c[nH+]cc1CNc1ccc(OCC[NH+](C)C)c(C)c1 ZINC001308432807 1111428064 /nfs/dbraw/zinc/42/80/64/1111428064.db2.gz YVHMUDBHKCGKTH-UHFFFAOYSA-N 2 2 316.449 3.154 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1C)C[NH+](C)C ZINC001308517392 1111436866 /nfs/dbraw/zinc/43/68/66/1111436866.db2.gz FAWVWLVIIIRLRU-OAHLLOKOSA-N 2 2 318.383 3.070 20 0 DGADLP CC[C@@H](C)[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC001308744194 1111469184 /nfs/dbraw/zinc/46/91/84/1111469184.db2.gz FAMCCTYAUMDDON-AEFFLSMTSA-N 2 2 307.482 3.436 20 0 DGADLP CC(C)Cn1nccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001308883321 1111488557 /nfs/dbraw/zinc/48/85/57/1111488557.db2.gz VXHZSPJDEACWSK-SJLPKXTDSA-N 2 2 306.498 3.091 20 0 DGADLP CC(C)Cn1nccc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001308883321 1111488561 /nfs/dbraw/zinc/48/85/61/1111488561.db2.gz VXHZSPJDEACWSK-SJLPKXTDSA-N 2 2 306.498 3.091 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308904717 1111491090 /nfs/dbraw/zinc/49/10/90/1111491090.db2.gz RCRAQKJFUZWZIR-DFQSSKMNSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001308904717 1111491093 /nfs/dbraw/zinc/49/10/93/1111491093.db2.gz RCRAQKJFUZWZIR-DFQSSKMNSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001308966773 1111501554 /nfs/dbraw/zinc/50/15/54/1111501554.db2.gz AAGNLJCSYWBLLW-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC001308966773 1111501558 /nfs/dbraw/zinc/50/15/58/1111501558.db2.gz AAGNLJCSYWBLLW-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC001308982780 1111504618 /nfs/dbraw/zinc/50/46/18/1111504618.db2.gz GIWHOEXARBFYMO-UHFFFAOYSA-N 2 2 313.445 3.457 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+][C@@H](C)COC(C)=O)c1ccccc1 ZINC001308982708 1111504816 /nfs/dbraw/zinc/50/48/16/1111504816.db2.gz WCAZERAVMHRDEJ-MAUKXSAKSA-N 2 2 306.450 3.001 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480189 214179867 /nfs/dbraw/zinc/17/98/67/214179867.db2.gz JFBBUOJMNQMQBC-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480189 214179868 /nfs/dbraw/zinc/17/98/68/214179868.db2.gz JFBBUOJMNQMQBC-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480189 214179872 /nfs/dbraw/zinc/17/98/72/214179872.db2.gz JFBBUOJMNQMQBC-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCCc3c(F)cccc3Cl)[C@@H]2C1 ZINC000278480189 214179874 /nfs/dbraw/zinc/17/98/74/214179874.db2.gz JFBBUOJMNQMQBC-SUMWQHHRSA-N 2 2 310.844 3.438 20 0 DGADLP Cn1c2ccccc2[nH+]c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309716610 231102993 /nfs/dbraw/zinc/10/29/93/231102993.db2.gz LAJDXTPLPURGQL-INIZCTEOSA-N 2 2 306.413 3.260 20 0 DGADLP Cn1c2ccccc2[nH+]c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309716610 231102995 /nfs/dbraw/zinc/10/29/95/231102995.db2.gz LAJDXTPLPURGQL-INIZCTEOSA-N 2 2 306.413 3.260 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310099041 231110127 /nfs/dbraw/zinc/11/01/27/231110127.db2.gz WSWVLBYBIDEZQT-PXNSSMCTSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310099041 231110130 /nfs/dbraw/zinc/11/01/30/231110130.db2.gz WSWVLBYBIDEZQT-PXNSSMCTSA-N 2 2 324.472 3.348 20 0 DGADLP CC[C@@H](C[NH2+]C1CC(OC(C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000428269247 529489598 /nfs/dbraw/zinc/48/95/98/529489598.db2.gz UNFVIFZHTMKMTH-GPJFCIFZSA-N 2 2 316.489 3.369 20 0 DGADLP CC[C@@H](C[NH2+]C1CC(OC(C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000428269247 529489602 /nfs/dbraw/zinc/48/96/02/529489602.db2.gz UNFVIFZHTMKMTH-GPJFCIFZSA-N 2 2 316.489 3.369 20 0 DGADLP CCc1cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000302045556 529556831 /nfs/dbraw/zinc/55/68/31/529556831.db2.gz KIAYJPKWHGXJTK-GFCCVEGCSA-N 2 2 316.474 3.268 20 0 DGADLP CCc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000302045556 529556833 /nfs/dbraw/zinc/55/68/33/529556833.db2.gz KIAYJPKWHGXJTK-GFCCVEGCSA-N 2 2 316.474 3.268 20 0 DGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430961323 529577928 /nfs/dbraw/zinc/57/79/28/529577928.db2.gz NFKIFXUBYKGDES-CQSZACIVSA-N 2 2 301.459 3.153 20 0 DGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430961323 529577930 /nfs/dbraw/zinc/57/79/30/529577930.db2.gz NFKIFXUBYKGDES-CQSZACIVSA-N 2 2 301.459 3.153 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000270689541 282207065 /nfs/dbraw/zinc/20/70/65/282207065.db2.gz XDVDAGWQXRMJIS-GOSISDBHSA-N 2 2 317.408 3.012 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000270689541 282207066 /nfs/dbraw/zinc/20/70/66/282207066.db2.gz XDVDAGWQXRMJIS-GOSISDBHSA-N 2 2 317.408 3.012 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090524807 185300227 /nfs/dbraw/zinc/30/02/27/185300227.db2.gz WEOQUZKAVCRAAS-OLMNPRSZSA-N 2 2 320.477 3.261 20 0 DGADLP CCc1nc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309649535 529739908 /nfs/dbraw/zinc/73/99/08/529739908.db2.gz FPZLBFHIUTURBG-MRXNPFEDSA-N 2 2 315.486 3.317 20 0 DGADLP CCc1nc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309649535 529739909 /nfs/dbraw/zinc/73/99/09/529739909.db2.gz FPZLBFHIUTURBG-MRXNPFEDSA-N 2 2 315.486 3.317 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181488598 199305512 /nfs/dbraw/zinc/30/55/12/199305512.db2.gz WZNNZORKAPEKCN-CQSZACIVSA-N 2 2 320.433 3.060 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000181488598 199305514 /nfs/dbraw/zinc/30/55/14/199305514.db2.gz WZNNZORKAPEKCN-CQSZACIVSA-N 2 2 320.433 3.060 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607916 529988635 /nfs/dbraw/zinc/98/86/35/529988635.db2.gz ZTHDBCAQDGBMPJ-HOTGVXAUSA-N 2 2 317.477 3.068 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607916 529988636 /nfs/dbraw/zinc/98/86/36/529988636.db2.gz ZTHDBCAQDGBMPJ-HOTGVXAUSA-N 2 2 317.477 3.068 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435617634 530024327 /nfs/dbraw/zinc/02/43/27/530024327.db2.gz PXFCALJZRZQOGJ-OAHLLOKOSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435617634 530024329 /nfs/dbraw/zinc/02/43/29/530024329.db2.gz PXFCALJZRZQOGJ-OAHLLOKOSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866514 530065701 /nfs/dbraw/zinc/06/57/01/530065701.db2.gz CVDPEEHXDDMRLB-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866514 530065702 /nfs/dbraw/zinc/06/57/02/530065702.db2.gz CVDPEEHXDDMRLB-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866514 530065703 /nfs/dbraw/zinc/06/57/03/530065703.db2.gz CVDPEEHXDDMRLB-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292866514 530065704 /nfs/dbraw/zinc/06/57/04/530065704.db2.gz CVDPEEHXDDMRLB-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP Fc1cccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272708824 210113044 /nfs/dbraw/zinc/11/30/44/210113044.db2.gz XCBFVBPHOHVYMK-UHFFFAOYSA-N 2 2 318.358 3.375 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nccn2-c2ccccc2)CC1 ZINC000286894336 219214198 /nfs/dbraw/zinc/21/41/98/219214198.db2.gz DFRPCQXGNPQWFH-MRXNPFEDSA-N 2 2 312.461 3.396 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000279872070 215197559 /nfs/dbraw/zinc/19/75/59/215197559.db2.gz CEIDLXUUROFYBO-LBPRGKRZSA-N 2 2 301.261 3.419 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000279872070 215197561 /nfs/dbraw/zinc/19/75/61/215197561.db2.gz CEIDLXUUROFYBO-LBPRGKRZSA-N 2 2 301.261 3.419 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)CS1 ZINC000277283701 213420211 /nfs/dbraw/zinc/42/02/11/213420211.db2.gz QTJAPYGQSZGWGI-LSDHHAIUSA-N 2 2 303.475 3.387 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccnn1C(C)C ZINC000280024851 215320204 /nfs/dbraw/zinc/32/02/04/215320204.db2.gz UGRQADSTWAXPCR-UHFFFAOYSA-N 2 2 311.433 3.302 20 0 DGADLP CC[C@H](C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000163936027 186142716 /nfs/dbraw/zinc/14/27/16/186142716.db2.gz YZPUHGUGSPRXBM-KBXCAEBGSA-N 2 2 324.896 3.301 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839203 186261757 /nfs/dbraw/zinc/26/17/57/186261757.db2.gz ALDORJLYOGHPAB-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839203 186261759 /nfs/dbraw/zinc/26/17/59/186261759.db2.gz ALDORJLYOGHPAB-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)on1 ZINC000189947002 186253259 /nfs/dbraw/zinc/25/32/59/186253259.db2.gz FGESUMYZCGVAAY-HUUCEWRRSA-N 2 2 313.445 3.229 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C(C)(C)O1 ZINC000268745782 186376115 /nfs/dbraw/zinc/37/61/15/186376115.db2.gz FLJFNTDUSJTAFE-KRWDZBQOSA-N 2 2 313.445 3.367 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccnc1Cl ZINC000268762755 186383251 /nfs/dbraw/zinc/38/32/51/186383251.db2.gz MHERUDTZAFAXDQ-LBPRGKRZSA-N 2 2 300.793 3.276 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277180225 213349410 /nfs/dbraw/zinc/34/94/10/213349410.db2.gz LGQAMYHPFMAZLY-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277180225 213349406 /nfs/dbraw/zinc/34/94/06/213349406.db2.gz LGQAMYHPFMAZLY-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459561742 282986018 /nfs/dbraw/zinc/98/60/18/282986018.db2.gz SAYBNDQYDXYQEG-OAHLLOKOSA-N 2 2 308.372 3.005 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1C ZINC000173619811 198232379 /nfs/dbraw/zinc/23/23/79/198232379.db2.gz NXGNJYHGSJZMOE-MRXNPFEDSA-N 2 2 317.477 3.093 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911469 198268656 /nfs/dbraw/zinc/26/86/56/198268656.db2.gz BWLYGWXNIDERGV-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911469 198268658 /nfs/dbraw/zinc/26/86/58/198268658.db2.gz BWLYGWXNIDERGV-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911469 198268659 /nfs/dbraw/zinc/26/86/59/198268659.db2.gz BWLYGWXNIDERGV-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911469 198268661 /nfs/dbraw/zinc/26/86/61/198268661.db2.gz BWLYGWXNIDERGV-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000277112206 213301451 /nfs/dbraw/zinc/30/14/51/213301451.db2.gz HGHCBUSGJOBQKZ-INIZCTEOSA-N 2 2 308.853 3.191 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000277112206 213301454 /nfs/dbraw/zinc/30/14/54/213301454.db2.gz HGHCBUSGJOBQKZ-INIZCTEOSA-N 2 2 308.853 3.191 20 0 DGADLP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131303508 432035210 /nfs/dbraw/zinc/03/52/10/432035210.db2.gz AKUVGZILUKAXEY-ZWKOTPCHSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131303508 432035211 /nfs/dbraw/zinc/03/52/11/432035211.db2.gz AKUVGZILUKAXEY-ZWKOTPCHSA-N 2 2 302.462 3.100 20 0 DGADLP Fc1ccccc1SCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131744867 432036635 /nfs/dbraw/zinc/03/66/35/432036635.db2.gz RGFIYJGDPWPFFK-OAHLLOKOSA-N 2 2 318.417 3.466 20 0 DGADLP Fc1ccccc1SCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131744867 432036638 /nfs/dbraw/zinc/03/66/38/432036638.db2.gz RGFIYJGDPWPFFK-OAHLLOKOSA-N 2 2 318.417 3.466 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025700 213248789 /nfs/dbraw/zinc/24/87/89/213248789.db2.gz AUAZKULWZPZVFG-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025700 213248793 /nfs/dbraw/zinc/24/87/93/213248793.db2.gz AUAZKULWZPZVFG-SJORKVTESA-N 2 2 317.477 3.047 20 0 DGADLP Fc1ccc(C[N@@H+](CCc2ccccn2)CCn2cc[nH+]c2)cc1 ZINC000131853682 432039886 /nfs/dbraw/zinc/03/98/86/432039886.db2.gz LQTPWCDIOPTHQC-UHFFFAOYSA-N 2 2 324.403 3.162 20 0 DGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163701213 432039961 /nfs/dbraw/zinc/03/99/61/432039961.db2.gz GNXJAMQRRAZCLN-NRFANRHFSA-N 2 2 322.452 3.296 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)[nH+]1 ZINC000332550202 235087972 /nfs/dbraw/zinc/08/79/72/235087972.db2.gz JOSRQPJDRXDTOH-UHFFFAOYSA-N 2 2 318.465 3.250 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000163906284 432045037 /nfs/dbraw/zinc/04/50/37/432045037.db2.gz STONVSTYFGAUMI-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C[C@@H]1C[NH3+] ZINC000163906284 432045042 /nfs/dbraw/zinc/04/50/42/432045042.db2.gz STONVSTYFGAUMI-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc3)[nH+]c12 ZINC000236811474 202022348 /nfs/dbraw/zinc/02/23/48/202022348.db2.gz DPDBJTAUZUPZCH-KRWDZBQOSA-N 2 2 322.412 3.232 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)o2)cs1 ZINC000164421496 432047220 /nfs/dbraw/zinc/04/72/20/432047220.db2.gz ZTMUZTMHVFBSCH-FZMZJTMJSA-N 2 2 305.447 3.141 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)o2)cs1 ZINC000164421496 432047222 /nfs/dbraw/zinc/04/72/22/432047222.db2.gz ZTMUZTMHVFBSCH-FZMZJTMJSA-N 2 2 305.447 3.141 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000080266382 192019059 /nfs/dbraw/zinc/01/90/59/192019059.db2.gz WYGAZYKUOHPMNI-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000179407485 432056985 /nfs/dbraw/zinc/05/69/85/432056985.db2.gz NHYDPUIUBSXSBM-LBPRGKRZSA-N 2 2 322.250 3.380 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CCC[NH2+]C1 ZINC000166887834 432062966 /nfs/dbraw/zinc/06/29/66/432062966.db2.gz GZAZQDDHXTYMSH-UKRRQHHQSA-N 2 2 312.417 3.041 20 0 DGADLP CC[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000166805687 432062633 /nfs/dbraw/zinc/06/26/33/432062633.db2.gz XWGFJNMDDHQSAW-OAHLLOKOSA-N 2 2 324.896 3.303 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(Br)c1 ZINC000179635768 432065689 /nfs/dbraw/zinc/06/56/89/432065689.db2.gz YVJOANRTMCFZLX-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(Br)c1 ZINC000179635768 432065691 /nfs/dbraw/zinc/06/56/91/432065691.db2.gz YVJOANRTMCFZLX-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cnn(C)c1 ZINC000167859728 432066578 /nfs/dbraw/zinc/06/65/78/432066578.db2.gz MBAPEZKWIQSRFJ-CABCVRRESA-N 2 2 300.450 3.200 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000276840991 213127053 /nfs/dbraw/zinc/12/70/53/213127053.db2.gz GXBMCIURKPLDRG-YOEHRIQHSA-N 2 2 312.417 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@@H+]1C1CC1 ZINC000168510757 432068905 /nfs/dbraw/zinc/06/89/05/432068905.db2.gz MPEBTKTZHXTTAQ-PWSUYJOCSA-N 2 2 314.351 3.142 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@H+]1C1CC1 ZINC000168510757 432068907 /nfs/dbraw/zinc/06/89/07/432068907.db2.gz MPEBTKTZHXTTAQ-PWSUYJOCSA-N 2 2 314.351 3.142 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000168616736 432070135 /nfs/dbraw/zinc/07/01/35/432070135.db2.gz NSKVACBSIPUUNE-UKRRQHHQSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000168616736 432070136 /nfs/dbraw/zinc/07/01/36/432070136.db2.gz NSKVACBSIPUUNE-UKRRQHHQSA-N 2 2 301.459 3.288 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000179798157 432070953 /nfs/dbraw/zinc/07/09/53/432070953.db2.gz IGJFHHCLDNIUBP-UHFFFAOYSA-N 2 2 306.498 3.024 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000179798157 432070956 /nfs/dbraw/zinc/07/09/56/432070956.db2.gz IGJFHHCLDNIUBP-UHFFFAOYSA-N 2 2 306.498 3.024 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC)[C@H]1CCOC1 ZINC000134040608 432073316 /nfs/dbraw/zinc/07/33/16/432073316.db2.gz CWRGPRAOSPVROE-FHWLQOOXSA-N 2 2 304.478 3.474 20 0 DGADLP Brc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000179668318 199073331 /nfs/dbraw/zinc/07/33/31/199073331.db2.gz BONZXYNEFRJRBZ-UHFFFAOYSA-N 2 2 320.234 3.315 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179832382 199086020 /nfs/dbraw/zinc/08/60/20/199086020.db2.gz FFNAVWUFNHMEQM-UHFFFAOYSA-N 2 2 312.461 3.143 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000179832847 199086458 /nfs/dbraw/zinc/08/64/58/199086458.db2.gz LKZCJXXRKWTCJK-UHFFFAOYSA-N 2 2 312.404 3.293 20 0 DGADLP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000180151945 199124240 /nfs/dbraw/zinc/12/42/40/199124240.db2.gz TTXYUVJGJFZGPN-IEBWSBKVSA-N 2 2 312.457 3.208 20 0 DGADLP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000180151945 199124242 /nfs/dbraw/zinc/12/42/42/199124242.db2.gz TTXYUVJGJFZGPN-IEBWSBKVSA-N 2 2 312.457 3.208 20 0 DGADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000180151945 199124244 /nfs/dbraw/zinc/12/42/44/199124244.db2.gz TTXYUVJGJFZGPN-IEBWSBKVSA-N 2 2 312.457 3.208 20 0 DGADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000180151945 199124245 /nfs/dbraw/zinc/12/42/45/199124245.db2.gz TTXYUVJGJFZGPN-IEBWSBKVSA-N 2 2 312.457 3.208 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2F)o1 ZINC000181078548 199249435 /nfs/dbraw/zinc/24/94/35/199249435.db2.gz NJCXMYUNEDKEPJ-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2F)o1 ZINC000181078548 199249438 /nfs/dbraw/zinc/24/94/38/199249438.db2.gz NJCXMYUNEDKEPJ-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP C[C@@]1(C[NH2+]Cc2cc(F)ccc2Br)CCC[NH2+]C1 ZINC000414910195 236946094 /nfs/dbraw/zinc/94/60/94/236946094.db2.gz SMOUDVBOIOOJNF-CQSZACIVSA-N 2 2 315.230 3.068 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415036680 237021942 /nfs/dbraw/zinc/02/19/42/237021942.db2.gz FZXIDELYLYAZEW-IUODEOHRSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415036680 237021950 /nfs/dbraw/zinc/02/19/50/237021950.db2.gz FZXIDELYLYAZEW-IUODEOHRSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415036679 237023718 /nfs/dbraw/zinc/02/37/18/237023718.db2.gz FZXIDELYLYAZEW-DOMZBBRYSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415036679 237023724 /nfs/dbraw/zinc/02/37/24/237023724.db2.gz FZXIDELYLYAZEW-DOMZBBRYSA-N 2 2 313.367 3.064 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C1CCCC1 ZINC000415073087 237054648 /nfs/dbraw/zinc/05/46/48/237054648.db2.gz ZASKRMWFQNOBQT-KRWDZBQOSA-N 2 2 318.852 3.133 20 0 DGADLP Clc1ccc(OCCC[NH2+][C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000415084830 237067465 /nfs/dbraw/zinc/06/74/65/237067465.db2.gz RQELPQCPGABJFQ-GFCCVEGCSA-N 2 2 303.233 3.104 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCC[NH3+])c2ccccc2Cl)cc1 ZINC000415090471 237072925 /nfs/dbraw/zinc/07/29/25/237072925.db2.gz OXZPDBHGGHVTEE-QGZVFWFLSA-N 2 2 304.821 3.376 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(-c3cccs3)c2)CCCO1 ZINC000415112837 237087803 /nfs/dbraw/zinc/08/78/03/237087803.db2.gz QZLMHOOLDQQNTQ-AWEZNQCLSA-N 2 2 320.433 3.104 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)CCCO1 ZINC000415112837 237087808 /nfs/dbraw/zinc/08/78/08/237087808.db2.gz QZLMHOOLDQQNTQ-AWEZNQCLSA-N 2 2 320.433 3.104 20 0 DGADLP Cc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c(C)[nH+]1 ZINC000415280570 237162143 /nfs/dbraw/zinc/16/21/43/237162143.db2.gz IXYWBBDUAUJJQD-UHFFFAOYSA-N 2 2 312.417 3.081 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C(C)(C)C)c1 ZINC000422829343 237801812 /nfs/dbraw/zinc/80/18/12/237801812.db2.gz BUSIOTRAQALUGV-SZMVWBNQSA-N 2 2 304.478 3.439 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)o2)cs1 ZINC000422950861 237813340 /nfs/dbraw/zinc/81/33/40/237813340.db2.gz WTBUZWVQPRRAGC-RISCZKNCSA-N 2 2 305.447 3.332 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000423374009 237845479 /nfs/dbraw/zinc/84/54/79/237845479.db2.gz CDCPWBAUAJIISY-RISCZKNCSA-N 2 2 311.857 3.172 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)CCC[NH2+]1 ZINC000423413613 237848431 /nfs/dbraw/zinc/84/84/31/237848431.db2.gz LAWVNYARNBJTLE-GUYCJALGSA-N 2 2 308.491 3.046 20 0 DGADLP Clc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134916325 432089066 /nfs/dbraw/zinc/08/90/66/432089066.db2.gz WSKXOXPENZVMHD-RISCZKNCSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000134916325 432089068 /nfs/dbraw/zinc/08/90/68/432089068.db2.gz WSKXOXPENZVMHD-RISCZKNCSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000134916325 432089070 /nfs/dbraw/zinc/08/90/70/432089070.db2.gz WSKXOXPENZVMHD-RISCZKNCSA-N 2 2 311.882 3.245 20 0 DGADLP Clc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000134916325 432089073 /nfs/dbraw/zinc/08/90/73/432089073.db2.gz WSKXOXPENZVMHD-RISCZKNCSA-N 2 2 311.882 3.245 20 0 DGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000427876471 238004392 /nfs/dbraw/zinc/00/43/92/238004392.db2.gz MDPZSZPOTYWACQ-PKOBYXMFSA-N 2 2 322.387 3.111 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427882879 238004494 /nfs/dbraw/zinc/00/44/94/238004494.db2.gz CIGPXGGHTDNLPH-YPMHNXCESA-N 2 2 307.344 3.150 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427880238 238004629 /nfs/dbraw/zinc/00/46/29/238004629.db2.gz VKYQZZDADRDNLG-AAEUAGOBSA-N 2 2 305.809 3.211 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)F)c1 ZINC000427843044 238003725 /nfs/dbraw/zinc/00/37/25/238003725.db2.gz LQJVYMGCNQWBGF-YPMHNXCESA-N 2 2 307.344 3.150 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000428204090 238011567 /nfs/dbraw/zinc/01/15/67/238011567.db2.gz HZKPLOZADVMGSR-MRXNPFEDSA-N 2 2 305.466 3.270 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000428204090 238011569 /nfs/dbraw/zinc/01/15/69/238011569.db2.gz HZKPLOZADVMGSR-MRXNPFEDSA-N 2 2 305.466 3.270 20 0 DGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000428204090 238011570 /nfs/dbraw/zinc/01/15/70/238011570.db2.gz HZKPLOZADVMGSR-MRXNPFEDSA-N 2 2 305.466 3.270 20 0 DGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000428204090 238011571 /nfs/dbraw/zinc/01/15/71/238011571.db2.gz HZKPLOZADVMGSR-MRXNPFEDSA-N 2 2 305.466 3.270 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428863992 238033458 /nfs/dbraw/zinc/03/34/58/238033458.db2.gz ABJVXMNKMKBRPC-QWHCGFSZSA-N 2 2 307.438 3.398 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928520 238034953 /nfs/dbraw/zinc/03/49/53/238034953.db2.gz HTBYQCGMFXDURN-ZDUSSCGKSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428928520 238034954 /nfs/dbraw/zinc/03/49/54/238034954.db2.gz HTBYQCGMFXDURN-ZDUSSCGKSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3ccccc3F)C2)c[nH+]1 ZINC000430148681 238069062 /nfs/dbraw/zinc/06/90/62/238069062.db2.gz SMCUVNHBMWRINJ-QGZVFWFLSA-N 2 2 313.420 3.330 20 0 DGADLP Cc1cccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)c1C ZINC000430101566 238066841 /nfs/dbraw/zinc/06/68/41/238066841.db2.gz XDEUYJZNXMYEJL-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP Cc1cccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)c1C ZINC000430101566 238066843 /nfs/dbraw/zinc/06/68/43/238066843.db2.gz XDEUYJZNXMYEJL-UHFFFAOYSA-N 2 2 303.475 3.454 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)cc1 ZINC000430557885 238079605 /nfs/dbraw/zinc/07/96/05/238079605.db2.gz UHUBMTVAQCJOHC-QGZVFWFLSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1cc(Br)ccc1Cl)C1CC1 ZINC000430563830 238079860 /nfs/dbraw/zinc/07/98/60/238079860.db2.gz XDTRFWZWZWXCPU-CYBMUJFWSA-N 2 2 317.658 3.320 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]([NH3+])C(C)C)cc3)[nH+]c12 ZINC000430712618 238084401 /nfs/dbraw/zinc/08/44/01/238084401.db2.gz DPDBJTAUZUPZCH-QGZVFWFLSA-N 2 2 322.412 3.232 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000281281285 216208447 /nfs/dbraw/zinc/20/84/47/216208447.db2.gz PWNHAAUJCNMTQM-BRWVUGGUSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000281281285 216208451 /nfs/dbraw/zinc/20/84/51/216208451.db2.gz PWNHAAUJCNMTQM-BRWVUGGUSA-N 2 2 301.478 3.489 20 0 DGADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000272018042 209387506 /nfs/dbraw/zinc/38/75/06/209387506.db2.gz BRUHUWBUCCZFIB-CQSZACIVSA-N 2 2 301.365 3.001 20 0 DGADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000272018042 209387508 /nfs/dbraw/zinc/38/75/08/209387508.db2.gz BRUHUWBUCCZFIB-CQSZACIVSA-N 2 2 301.365 3.001 20 0 DGADLP Cc1cnc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000434670120 238226807 /nfs/dbraw/zinc/22/68/07/238226807.db2.gz OXIBTJLGFCJWFS-CQSZACIVSA-N 2 2 314.433 3.456 20 0 DGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)(C)C ZINC000271936788 209338212 /nfs/dbraw/zinc/33/82/12/209338212.db2.gz ALEQTKRATYPVBD-CQSZACIVSA-N 2 2 304.482 3.459 20 0 DGADLP c1cc(C[N@H+](Cc2cscn2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430431 238304184 /nfs/dbraw/zinc/30/41/84/238304184.db2.gz BLLPFZVXRHSYQA-OAHLLOKOSA-N 2 2 319.499 3.349 20 0 DGADLP c1cc(C[N@@H+](Cc2cscn2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430431 238304187 /nfs/dbraw/zinc/30/41/87/238304187.db2.gz BLLPFZVXRHSYQA-OAHLLOKOSA-N 2 2 319.499 3.349 20 0 DGADLP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000292819953 223260181 /nfs/dbraw/zinc/26/01/81/223260181.db2.gz AWRCDXYZMFEMSF-VQIMIIECSA-N 2 2 320.452 3.369 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000281477039 216328003 /nfs/dbraw/zinc/32/80/03/216328003.db2.gz VBSSRBCTRYWVMS-UHFFFAOYSA-N 2 2 311.433 3.371 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000193953957 201152383 /nfs/dbraw/zinc/15/23/83/201152383.db2.gz UPIONBFFWDHKEX-KRWDZBQOSA-N 2 2 308.853 3.244 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccccc1 ZINC000180697972 432097575 /nfs/dbraw/zinc/09/75/75/432097575.db2.gz RIZUXJXUEUYRMA-MOPGFXCFSA-N 2 2 324.472 3.146 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccccc1 ZINC000180697972 432097579 /nfs/dbraw/zinc/09/75/79/432097579.db2.gz RIZUXJXUEUYRMA-MOPGFXCFSA-N 2 2 324.472 3.146 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1ccccc1 ZINC000180697972 432097584 /nfs/dbraw/zinc/09/75/84/432097584.db2.gz RIZUXJXUEUYRMA-MOPGFXCFSA-N 2 2 324.472 3.146 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1ccccc1 ZINC000180697972 432097587 /nfs/dbraw/zinc/09/75/87/432097587.db2.gz RIZUXJXUEUYRMA-MOPGFXCFSA-N 2 2 324.472 3.146 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000194338126 201206156 /nfs/dbraw/zinc/20/61/56/201206156.db2.gz UZYHPFISEYNDGF-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000194338126 201206159 /nfs/dbraw/zinc/20/61/59/201206159.db2.gz UZYHPFISEYNDGF-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000194338126 201206162 /nfs/dbraw/zinc/20/61/62/201206162.db2.gz UZYHPFISEYNDGF-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000194338126 201206165 /nfs/dbraw/zinc/20/61/65/201206165.db2.gz UZYHPFISEYNDGF-CYBMUJFWSA-N 2 2 305.447 3.177 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772849 432098071 /nfs/dbraw/zinc/09/80/71/432098071.db2.gz FNNGLRXNRYIZSH-OALUTQOASA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772849 432098075 /nfs/dbraw/zinc/09/80/75/432098075.db2.gz FNNGLRXNRYIZSH-OALUTQOASA-N 2 2 320.477 3.093 20 0 DGADLP C[NH+](C)C1(C[NH2+]C2CCC(C(F)F)CC2)Cc2ccccc2C1 ZINC000442787099 239122144 /nfs/dbraw/zinc/12/21/44/239122144.db2.gz HJYZTPIMVGTAGR-UHFFFAOYSA-N 2 2 322.443 3.499 20 0 DGADLP C[C@@H](CNc1cc[nH+]c2c(Br)cccc12)[NH+](C)C ZINC000443448682 239201166 /nfs/dbraw/zinc/20/11/66/239201166.db2.gz UVPINDUZWBRMRX-JTQLQIEISA-N 2 2 308.223 3.359 20 0 DGADLP Cn1cnc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc21 ZINC000271851813 209267510 /nfs/dbraw/zinc/26/75/10/209267510.db2.gz WEUPEXJNKVTHJJ-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP Cc1ccc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+](C)C)cc1 ZINC000444119964 239258686 /nfs/dbraw/zinc/25/86/86/239258686.db2.gz SULHFLCICMPQAV-LJQANCHMSA-N 2 2 306.413 3.075 20 0 DGADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCC1 ZINC000446753096 239568804 /nfs/dbraw/zinc/56/88/04/239568804.db2.gz JWLSSHWLBMXROJ-QGZVFWFLSA-N 2 2 317.408 3.306 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449107185 240020267 /nfs/dbraw/zinc/02/02/67/240020267.db2.gz LLTBDJCGXGNFEP-HNNXBMFYSA-N 2 2 317.502 3.358 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449076357 240004968 /nfs/dbraw/zinc/00/49/68/240004968.db2.gz PAUBPTFXFKVWGA-GFCCVEGCSA-N 2 2 316.405 3.324 20 0 DGADLP Fc1cnccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449074952 240005013 /nfs/dbraw/zinc/00/50/13/240005013.db2.gz QFTJRSVEBJPIHK-UHFFFAOYSA-N 2 2 313.420 3.017 20 0 DGADLP CC1(C)CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000449086522 240011147 /nfs/dbraw/zinc/01/11/47/240011147.db2.gz BYDAQLDVVZXJNU-SFHVURJKSA-N 2 2 302.462 3.187 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2F)CC[N@@H+]1Cc1ccccc1 ZINC000449171471 240051294 /nfs/dbraw/zinc/05/12/94/240051294.db2.gz AIGJNLAWNXZHOA-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2F)CC[N@H+]1Cc1ccccc1 ZINC000449171471 240051299 /nfs/dbraw/zinc/05/12/99/240051299.db2.gz AIGJNLAWNXZHOA-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000449176484 240052363 /nfs/dbraw/zinc/05/23/63/240052363.db2.gz MUIYRYILJYUHHM-RDTXWAMCSA-N 2 2 318.486 3.391 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449190477 240058787 /nfs/dbraw/zinc/05/87/87/240058787.db2.gz IWOSKUSDDNBOSI-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449190477 240058789 /nfs/dbraw/zinc/05/87/89/240058789.db2.gz IWOSKUSDDNBOSI-LIRRHRJNSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449233028 240082450 /nfs/dbraw/zinc/08/24/50/240082450.db2.gz WZKWVIKUHUBXGN-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449233028 240082453 /nfs/dbraw/zinc/08/24/53/240082453.db2.gz WZKWVIKUHUBXGN-AWEZNQCLSA-N 2 2 317.408 3.023 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449304365 240120228 /nfs/dbraw/zinc/12/02/28/240120228.db2.gz OICNIYZOEKUBQS-UHFFFAOYSA-N 2 2 307.397 3.458 20 0 DGADLP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000449387398 240168004 /nfs/dbraw/zinc/16/80/04/240168004.db2.gz LKEYLNIYDSOFOX-RBUKOAKNSA-N 2 2 304.478 3.007 20 0 DGADLP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000449387398 240168010 /nfs/dbraw/zinc/16/80/10/240168010.db2.gz LKEYLNIYDSOFOX-RBUKOAKNSA-N 2 2 304.478 3.007 20 0 DGADLP CC[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449433949 240202808 /nfs/dbraw/zinc/20/28/08/240202808.db2.gz OMOQAOPNYOLDKX-DLBZAZTESA-N 2 2 301.478 3.462 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000449440965 240207032 /nfs/dbraw/zinc/20/70/32/240207032.db2.gz DUQDZJYLDYDKGY-MRXNPFEDSA-N 2 2 310.482 3.129 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCCC3(C)C)c2cc1C ZINC000180936412 432105535 /nfs/dbraw/zinc/10/55/35/432105535.db2.gz IANOUUBOGAXWKA-CRAIPNDOSA-N 2 2 315.461 3.182 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449749374 240397624 /nfs/dbraw/zinc/39/76/24/240397624.db2.gz PAHPCUJDTTUCFZ-NVXWUHKLSA-N 2 2 317.477 3.223 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449749373 240397952 /nfs/dbraw/zinc/39/79/52/240397952.db2.gz PAHPCUJDTTUCFZ-DOTOQJQBSA-N 2 2 317.477 3.223 20 0 DGADLP Brc1cccc2c1CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000091261988 193027600 /nfs/dbraw/zinc/02/76/00/193027600.db2.gz GREBZGBRBJZKFK-OAHLLOKOSA-N 2 2 320.234 3.313 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000091367801 193048278 /nfs/dbraw/zinc/04/82/78/193048278.db2.gz VENBTFQHIOCENT-KFWWJZLASA-N 2 2 300.450 3.097 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1cccc(C)c1 ZINC000091892582 193123297 /nfs/dbraw/zinc/12/32/97/193123297.db2.gz UKXJEPRKDJXKAK-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1cccc(C)c1 ZINC000091892582 193123299 /nfs/dbraw/zinc/12/32/99/193123299.db2.gz UKXJEPRKDJXKAK-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1cccc(C)c1 ZINC000091892582 193123300 /nfs/dbraw/zinc/12/33/00/193123300.db2.gz UKXJEPRKDJXKAK-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1cccc(C)c1 ZINC000091892582 193123302 /nfs/dbraw/zinc/12/33/02/193123302.db2.gz UKXJEPRKDJXKAK-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000091892260 193123851 /nfs/dbraw/zinc/12/38/51/193123851.db2.gz YEQLNGSTVZMAMS-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000091892260 193123853 /nfs/dbraw/zinc/12/38/53/193123853.db2.gz YEQLNGSTVZMAMS-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000091892260 193123855 /nfs/dbraw/zinc/12/38/55/193123855.db2.gz YEQLNGSTVZMAMS-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000091892260 193123856 /nfs/dbraw/zinc/12/38/56/193123856.db2.gz YEQLNGSTVZMAMS-MOPGFXCFSA-N 2 2 324.472 3.444 20 0 DGADLP CC[N@H+](CCCCCn1c(C)[nH+]c2ccccc21)C1COC1 ZINC000451292001 241073292 /nfs/dbraw/zinc/07/32/92/241073292.db2.gz SAXWAGKSEGYCRE-UHFFFAOYSA-N 2 2 301.434 3.236 20 0 DGADLP CC[N@@H+](CCCCCn1c(C)[nH+]c2ccccc21)C1COC1 ZINC000451292001 241073299 /nfs/dbraw/zinc/07/32/99/241073299.db2.gz SAXWAGKSEGYCRE-UHFFFAOYSA-N 2 2 301.434 3.236 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451497654 241145502 /nfs/dbraw/zinc/14/55/02/241145502.db2.gz WNNDVYYUCZMSQD-IPMKNSEASA-N 2 2 323.440 3.228 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180992171 432109329 /nfs/dbraw/zinc/10/93/29/432109329.db2.gz IVURHDQTDYNWAM-ILXRZTDVSA-N 2 2 300.450 3.190 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180992171 432109332 /nfs/dbraw/zinc/10/93/32/432109332.db2.gz IVURHDQTDYNWAM-ILXRZTDVSA-N 2 2 300.450 3.190 20 0 DGADLP C[N@H+](CCc1cscn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114880 241320416 /nfs/dbraw/zinc/32/04/16/241320416.db2.gz JWSRMJNKACRNIQ-UHFFFAOYSA-N 2 2 321.412 3.034 20 0 DGADLP C[N@@H+](CCc1cscn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114880 241320424 /nfs/dbraw/zinc/32/04/24/241320424.db2.gz JWSRMJNKACRNIQ-UHFFFAOYSA-N 2 2 321.412 3.034 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000246233409 432110569 /nfs/dbraw/zinc/11/05/69/432110569.db2.gz KNLNQGKFJZUITE-CZUORRHYSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000246233409 432110571 /nfs/dbraw/zinc/11/05/71/432110571.db2.gz KNLNQGKFJZUITE-CZUORRHYSA-N 2 2 303.381 3.114 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246264794 432114159 /nfs/dbraw/zinc/11/41/59/432114159.db2.gz ABOHFSYAQYNLOO-CRAIPNDOSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246264794 432114164 /nfs/dbraw/zinc/11/41/64/432114164.db2.gz ABOHFSYAQYNLOO-CRAIPNDOSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246264794 432114168 /nfs/dbraw/zinc/11/41/68/432114168.db2.gz ABOHFSYAQYNLOO-CRAIPNDOSA-N 2 2 318.509 3.123 20 0 DGADLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246264794 432114171 /nfs/dbraw/zinc/11/41/71/432114171.db2.gz ABOHFSYAQYNLOO-CRAIPNDOSA-N 2 2 318.509 3.123 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043739 284004173 /nfs/dbraw/zinc/00/41/73/284004173.db2.gz LRAMPBUSPXCRDW-MJGOQNOKSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043739 284004178 /nfs/dbraw/zinc/00/41/78/284004178.db2.gz LRAMPBUSPXCRDW-MJGOQNOKSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043739 284004181 /nfs/dbraw/zinc/00/41/81/284004181.db2.gz LRAMPBUSPXCRDW-MJGOQNOKSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043739 284004184 /nfs/dbraw/zinc/00/41/84/284004184.db2.gz LRAMPBUSPXCRDW-MJGOQNOKSA-N 2 2 303.494 3.450 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)[C@@H]1SC ZINC000459384469 243354969 /nfs/dbraw/zinc/35/49/69/243354969.db2.gz CXQGJUVDNLYLMT-MLHJIOFPSA-N 2 2 322.518 3.096 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000459317407 243332451 /nfs/dbraw/zinc/33/24/51/243332451.db2.gz BXNOCQQZDYIRRU-OALUTQOASA-N 2 2 307.441 3.316 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000459369512 243351337 /nfs/dbraw/zinc/35/13/37/243351337.db2.gz QIOCLJVZZOPYPR-KRWDZBQOSA-N 2 2 305.372 3.468 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000459369512 243351340 /nfs/dbraw/zinc/35/13/40/243351340.db2.gz QIOCLJVZZOPYPR-KRWDZBQOSA-N 2 2 305.372 3.468 20 0 DGADLP CCCCCn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)n1 ZINC000459445600 243373275 /nfs/dbraw/zinc/37/32/75/243373275.db2.gz DODRYLHKNBEGRV-UHFFFAOYSA-N 2 2 304.482 3.098 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000459420833 243364225 /nfs/dbraw/zinc/36/42/25/243364225.db2.gz GMZBHDPMDBCTQE-UHFFFAOYSA-N 2 2 304.434 3.189 20 0 DGADLP COCC[C@@H](C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797310 244065265 /nfs/dbraw/zinc/06/52/65/244065265.db2.gz CEFORCCHFPWHSJ-APWZRJJASA-N 2 2 318.505 3.474 20 0 DGADLP COCC[C@@H](C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797310 244065268 /nfs/dbraw/zinc/06/52/68/244065268.db2.gz CEFORCCHFPWHSJ-APWZRJJASA-N 2 2 318.505 3.474 20 0 DGADLP COc1ccccc1/C=C\C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470018529 244140049 /nfs/dbraw/zinc/14/00/49/244140049.db2.gz OZDIDYLEUIJZAN-XQRVVYSFSA-N 2 2 300.446 3.172 20 0 DGADLP C[C@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000470364960 244168823 /nfs/dbraw/zinc/16/88/23/244168823.db2.gz XGOMPCKHJBCWIH-CZUORRHYSA-N 2 2 312.910 3.470 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC000471745159 244239728 /nfs/dbraw/zinc/23/97/28/244239728.db2.gz GTUZBQSXXGFXAA-UHFFFAOYSA-N 2 2 312.461 3.477 20 0 DGADLP CC(C)(C)CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119591421 284146247 /nfs/dbraw/zinc/14/62/47/284146247.db2.gz UGZAMPKOTKFBRE-UHFFFAOYSA-N 2 2 310.405 3.449 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1 ZINC000093563855 193267806 /nfs/dbraw/zinc/26/78/06/193267806.db2.gz WLSHDDPNGWKJSK-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1 ZINC000093563855 193267808 /nfs/dbraw/zinc/26/78/08/193267808.db2.gz WLSHDDPNGWKJSK-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP CC[N@@H+](Cc1ccn(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564657 193269675 /nfs/dbraw/zinc/26/96/75/193269675.db2.gz GMLVFJOZKCBUHK-UHFFFAOYSA-N 2 2 312.461 3.159 20 0 DGADLP CC[N@H+](Cc1ccn(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564657 193269676 /nfs/dbraw/zinc/26/96/76/193269676.db2.gz GMLVFJOZKCBUHK-UHFFFAOYSA-N 2 2 312.461 3.159 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2c1 ZINC000093564218 193270415 /nfs/dbraw/zinc/27/04/15/193270415.db2.gz KJEDISIGSKCJFE-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2c1 ZINC000093564218 193270417 /nfs/dbraw/zinc/27/04/17/193270417.db2.gz KJEDISIGSKCJFE-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)n2c1 ZINC000093564218 193270418 /nfs/dbraw/zinc/27/04/18/193270418.db2.gz KJEDISIGSKCJFE-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@H](C[NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000093597605 193272494 /nfs/dbraw/zinc/27/24/94/193272494.db2.gz QCQAQJIIHCPZKE-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000093597605 193272496 /nfs/dbraw/zinc/27/24/96/193272496.db2.gz QCQAQJIIHCPZKE-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1-c1ccccc1 ZINC000093597605 193272498 /nfs/dbraw/zinc/27/24/98/193272498.db2.gz QCQAQJIIHCPZKE-GOSISDBHSA-N 2 2 324.472 3.098 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770201 193303409 /nfs/dbraw/zinc/30/34/09/193303409.db2.gz GCFQLNHOXSMMLJ-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770201 193303410 /nfs/dbraw/zinc/30/34/10/193303410.db2.gz GCFQLNHOXSMMLJ-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000093770201 193303411 /nfs/dbraw/zinc/30/34/11/193303411.db2.gz GCFQLNHOXSMMLJ-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000093770201 193303413 /nfs/dbraw/zinc/30/34/13/193303413.db2.gz GCFQLNHOXSMMLJ-MRXNPFEDSA-N 2 2 314.477 3.220 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ncccc1C(F)(F)F ZINC000093659923 193284819 /nfs/dbraw/zinc/28/48/19/193284819.db2.gz RRAQUMCQGXIHHA-ZDUSSCGKSA-N 2 2 315.383 3.407 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ncccc1C(F)(F)F ZINC000093659923 193284820 /nfs/dbraw/zinc/28/48/20/193284820.db2.gz RRAQUMCQGXIHHA-ZDUSSCGKSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ncccc1C(F)(F)F ZINC000093659923 193284822 /nfs/dbraw/zinc/28/48/22/193284822.db2.gz RRAQUMCQGXIHHA-ZDUSSCGKSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ncccc1C(F)(F)F ZINC000093659923 193284823 /nfs/dbraw/zinc/28/48/23/193284823.db2.gz RRAQUMCQGXIHHA-ZDUSSCGKSA-N 2 2 315.383 3.407 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000093683580 193288019 /nfs/dbraw/zinc/28/80/19/193288019.db2.gz FSFFDBPTGUVNIH-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000093683580 193288021 /nfs/dbraw/zinc/28/80/21/193288021.db2.gz FSFFDBPTGUVNIH-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc2ccccc12 ZINC000094341268 193361742 /nfs/dbraw/zinc/36/17/42/193361742.db2.gz HGFOMUGUMMCWBO-RISCZKNCSA-N 2 2 303.837 3.366 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)nc2ccccc12 ZINC000094341268 193361744 /nfs/dbraw/zinc/36/17/44/193361744.db2.gz HGFOMUGUMMCWBO-RISCZKNCSA-N 2 2 303.837 3.366 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422813053 296150566 /nfs/dbraw/zinc/15/05/66/296150566.db2.gz XIAZEKYANFVCTJ-MISXGVKJSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000414103420 296150043 /nfs/dbraw/zinc/15/00/43/296150043.db2.gz DPQOTDOXYDPCEQ-OWCLPIDISA-N 2 2 316.493 3.133 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414103420 296150047 /nfs/dbraw/zinc/15/00/47/296150047.db2.gz DPQOTDOXYDPCEQ-OWCLPIDISA-N 2 2 316.493 3.133 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000121298456 284193852 /nfs/dbraw/zinc/19/38/52/284193852.db2.gz ZRYGWGSUCLEIJC-LIRRHRJNSA-N 2 2 302.462 3.089 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000121298456 284193859 /nfs/dbraw/zinc/19/38/59/284193859.db2.gz ZRYGWGSUCLEIJC-LIRRHRJNSA-N 2 2 302.462 3.089 20 0 DGADLP C[N@H+](Cc1cccc(O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487410600 245057721 /nfs/dbraw/zinc/05/77/21/245057721.db2.gz GUQCMGMPCWZHAB-UHFFFAOYSA-N 2 2 316.367 3.241 20 0 DGADLP C[N@@H+](Cc1cccc(O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487410600 245057724 /nfs/dbraw/zinc/05/77/24/245057724.db2.gz GUQCMGMPCWZHAB-UHFFFAOYSA-N 2 2 316.367 3.241 20 0 DGADLP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711759 245221797 /nfs/dbraw/zinc/22/17/97/245221797.db2.gz IPMMLFXOHSWWES-OFQRWUPVSA-N 2 2 302.466 3.075 20 0 DGADLP Cc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711759 245221801 /nfs/dbraw/zinc/22/18/01/245221801.db2.gz IPMMLFXOHSWWES-OFQRWUPVSA-N 2 2 302.466 3.075 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)c(F)c1 ZINC000489612039 245331009 /nfs/dbraw/zinc/33/10/09/245331009.db2.gz XRFVXVSUBXNHBX-LLVKDONJSA-N 2 2 315.230 3.335 20 0 DGADLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1C ZINC000083248129 545778849 /nfs/dbraw/zinc/77/88/49/545778849.db2.gz PNFOZXPENGEPCC-MRXNPFEDSA-N 2 2 306.450 3.344 20 0 DGADLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1C ZINC000083248129 545778852 /nfs/dbraw/zinc/77/88/52/545778852.db2.gz PNFOZXPENGEPCC-MRXNPFEDSA-N 2 2 306.450 3.344 20 0 DGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490069777 245378356 /nfs/dbraw/zinc/37/83/56/245378356.db2.gz YWOCDUUZBKEBSG-QGZVFWFLSA-N 2 2 310.844 3.487 20 0 DGADLP Fc1cccc(Cl)c1CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490069777 245378358 /nfs/dbraw/zinc/37/83/58/245378358.db2.gz YWOCDUUZBKEBSG-QGZVFWFLSA-N 2 2 310.844 3.487 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080594 245379846 /nfs/dbraw/zinc/37/98/46/245379846.db2.gz OKKALHQGTSCQNR-VHSXEESVSA-N 2 2 307.385 3.297 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000490080594 245379849 /nfs/dbraw/zinc/37/98/49/245379849.db2.gz OKKALHQGTSCQNR-VHSXEESVSA-N 2 2 307.385 3.297 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]CC1=CCCOC1)c1cccc(OC)c1 ZINC000126310188 284300285 /nfs/dbraw/zinc/30/02/85/284300285.db2.gz XRZBRRCSRHJPLP-IBGZPJMESA-N 2 2 318.461 3.014 20 0 DGADLP CC[NH+](CC)[C@@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000127350365 284336030 /nfs/dbraw/zinc/33/60/30/284336030.db2.gz FVGDSYYBDGQRBW-GOSISDBHSA-N 2 2 312.461 3.097 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266005987 205020603 /nfs/dbraw/zinc/02/06/03/205020603.db2.gz KVCZNJXVCHJWFT-CABCVRRESA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266005987 205020607 /nfs/dbraw/zinc/02/06/07/205020607.db2.gz KVCZNJXVCHJWFT-CABCVRRESA-N 2 2 308.853 3.055 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000271704870 209140501 /nfs/dbraw/zinc/14/05/01/209140501.db2.gz NGOSQJLLRDLARW-UONOGXRCSA-N 2 2 324.440 3.368 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000271704870 209140504 /nfs/dbraw/zinc/14/05/04/209140504.db2.gz NGOSQJLLRDLARW-UONOGXRCSA-N 2 2 324.440 3.368 20 0 DGADLP c1c[nH+]c([C@@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2ccccc2)[nH]1 ZINC000127455741 284340531 /nfs/dbraw/zinc/34/05/31/284340531.db2.gz BJSVCPQWLXQGNM-MOPGFXCFSA-N 2 2 324.472 3.353 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000288367665 220111135 /nfs/dbraw/zinc/11/11/35/220111135.db2.gz DSKOLGYBXLIZNB-INIZCTEOSA-N 2 2 309.413 3.419 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000128073026 284362330 /nfs/dbraw/zinc/36/23/30/284362330.db2.gz RJQZBVCHXSPSHS-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000282943819 217342963 /nfs/dbraw/zinc/34/29/63/217342963.db2.gz IXYZETSVRQRDEC-LJQANCHMSA-N 2 2 324.472 3.374 20 0 DGADLP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000282943819 217342966 /nfs/dbraw/zinc/34/29/66/217342966.db2.gz IXYZETSVRQRDEC-LJQANCHMSA-N 2 2 324.472 3.374 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774908 432130984 /nfs/dbraw/zinc/13/09/84/432130984.db2.gz NGEWZUMWKTXKAY-IPELMVKDSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268774908 432130987 /nfs/dbraw/zinc/13/09/87/432130987.db2.gz NGEWZUMWKTXKAY-IPELMVKDSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774908 432130991 /nfs/dbraw/zinc/13/09/91/432130991.db2.gz NGEWZUMWKTXKAY-IPELMVKDSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000268774908 432130994 /nfs/dbraw/zinc/13/09/94/432130994.db2.gz NGEWZUMWKTXKAY-IPELMVKDSA-N 2 2 310.445 3.150 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(F)ccc1Br ZINC000020043091 182182949 /nfs/dbraw/zinc/18/29/49/182182949.db2.gz KFWCCHQICBOGBT-UHFFFAOYSA-N 2 2 317.246 3.266 20 0 DGADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000493769401 246063435 /nfs/dbraw/zinc/06/34/35/246063435.db2.gz RKWNEFHIUXGKHV-WDEREUQCSA-N 2 2 319.792 3.449 20 0 DGADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061203 246108305 /nfs/dbraw/zinc/10/83/05/246108305.db2.gz UWEIUSGSIREJDE-ZYSHUDEJSA-N 2 2 316.489 3.226 20 0 DGADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061203 246108308 /nfs/dbraw/zinc/10/83/08/246108308.db2.gz UWEIUSGSIREJDE-ZYSHUDEJSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)o1 ZINC000494412928 246144188 /nfs/dbraw/zinc/14/41/88/246144188.db2.gz MJNUYTHCRQTQNO-LBPRGKRZSA-N 2 2 314.414 3.013 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)o1 ZINC000494412927 246144938 /nfs/dbraw/zinc/14/49/38/246144938.db2.gz MJNUYTHCRQTQNO-GFCCVEGCSA-N 2 2 314.414 3.013 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878508 246205852 /nfs/dbraw/zinc/20/58/52/246205852.db2.gz LSXFEEGBLVKECW-RDJZCZTQSA-N 2 2 319.497 3.280 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000494878508 246205857 /nfs/dbraw/zinc/20/58/57/246205857.db2.gz LSXFEEGBLVKECW-RDJZCZTQSA-N 2 2 319.497 3.280 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268818548 432140291 /nfs/dbraw/zinc/14/02/91/432140291.db2.gz GYEFQASKNGYLHW-KUHUBIRLSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268818548 432140295 /nfs/dbraw/zinc/14/02/95/432140295.db2.gz GYEFQASKNGYLHW-KUHUBIRLSA-N 2 2 313.445 3.292 20 0 DGADLP CC1(C)[C@@H]([NH2+]CCCCNc2cccc[nH+]2)[C@H]2CCCO[C@@H]21 ZINC000181672646 432141610 /nfs/dbraw/zinc/14/16/10/432141610.db2.gz SYHXNTOOHTXFGC-PVAVHDDUSA-N 2 2 303.450 3.067 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000136083210 432145771 /nfs/dbraw/zinc/14/57/71/432145771.db2.gz AWRKXMZRRVCZBX-APWZRJJASA-N 2 2 321.428 3.152 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000136083210 432145774 /nfs/dbraw/zinc/14/57/74/432145774.db2.gz AWRKXMZRRVCZBX-APWZRJJASA-N 2 2 321.428 3.152 20 0 DGADLP Cc1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000040861523 183143828 /nfs/dbraw/zinc/14/38/28/183143828.db2.gz KTMFRXQWINHOMR-UHFFFAOYSA-N 2 2 302.462 3.324 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)cs2)CC1 ZINC000043687307 183381468 /nfs/dbraw/zinc/38/14/68/183381468.db2.gz BUVQVORXIFDYPG-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cs2)CC1 ZINC000043687307 183381469 /nfs/dbraw/zinc/38/14/69/183381469.db2.gz BUVQVORXIFDYPG-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP COc1ncc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1Cl ZINC000284593076 218091988 /nfs/dbraw/zinc/09/19/88/218091988.db2.gz ZRZYOFIUEKNSRQ-LBPRGKRZSA-N 2 2 320.824 3.291 20 0 DGADLP COCCc1cc[nH+]c(NCc2c[nH+]c3ccc(Cl)cn23)c1 ZINC000285170489 218317839 /nfs/dbraw/zinc/31/78/39/218317839.db2.gz MEGJLHQAUNYKQT-UHFFFAOYSA-N 2 2 316.792 3.184 20 0 DGADLP c1cn(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c[nH+]1 ZINC000109794997 194286605 /nfs/dbraw/zinc/28/66/05/194286605.db2.gz OUPLMVWYMNSWJV-UHFFFAOYSA-N 2 2 308.385 3.375 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000268880092 207052439 /nfs/dbraw/zinc/05/24/39/207052439.db2.gz AVGVVCMBSRNYTH-WMLDXEAASA-N 2 2 308.491 3.173 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268892656 207063393 /nfs/dbraw/zinc/06/33/93/207063393.db2.gz JPOPQOOFTHOAFK-RDJZCZTQSA-N 2 2 321.534 3.084 20 0 DGADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268892656 207063396 /nfs/dbraw/zinc/06/33/96/207063396.db2.gz JPOPQOOFTHOAFK-RDJZCZTQSA-N 2 2 321.534 3.084 20 0 DGADLP c1cc2nsnc2c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000268915506 207082170 /nfs/dbraw/zinc/08/21/70/207082170.db2.gz NYDGOHSMXLAJIK-UHFFFAOYSA-N 2 2 316.474 3.142 20 0 DGADLP CC[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269038386 207187553 /nfs/dbraw/zinc/18/75/53/207187553.db2.gz WAPSQHPHWMARLZ-QGZVFWFLSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000060856801 184157134 /nfs/dbraw/zinc/15/71/34/184157134.db2.gz RKSDDXYDBVFJFG-MRXNPFEDSA-N 2 2 318.461 3.202 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000060856801 184157135 /nfs/dbraw/zinc/15/71/35/184157135.db2.gz RKSDDXYDBVFJFG-MRXNPFEDSA-N 2 2 318.461 3.202 20 0 DGADLP Brc1cccc([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451564951 532970227 /nfs/dbraw/zinc/97/02/27/532970227.db2.gz HLIGKRXLBFFXHT-AWEZNQCLSA-N 2 2 320.234 3.135 20 0 DGADLP Brc1cccc([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451564951 532970229 /nfs/dbraw/zinc/97/02/29/532970229.db2.gz HLIGKRXLBFFXHT-AWEZNQCLSA-N 2 2 320.234 3.135 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000248885031 285036213 /nfs/dbraw/zinc/03/62/13/285036213.db2.gz PVDRXTMVFSMYLF-KBAYOESNSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000248885031 285036215 /nfs/dbraw/zinc/03/62/15/285036215.db2.gz PVDRXTMVFSMYLF-KBAYOESNSA-N 2 2 304.478 3.209 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695070 533003206 /nfs/dbraw/zinc/00/32/06/533003206.db2.gz DCDAYTBUISPAIM-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695070 533003213 /nfs/dbraw/zinc/00/32/13/533003213.db2.gz DCDAYTBUISPAIM-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CCO)c3ccco3)CC2)C1 ZINC000249022831 285046731 /nfs/dbraw/zinc/04/67/31/285046731.db2.gz QZBJZELAMTWWRN-KBAYOESNSA-N 2 2 320.477 3.336 20 0 DGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119899935 195057749 /nfs/dbraw/zinc/05/77/49/195057749.db2.gz RFZKMAGJVXWWHE-JEWRLFTDSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119899935 195057751 /nfs/dbraw/zinc/05/77/51/195057751.db2.gz RFZKMAGJVXWWHE-JEWRLFTDSA-N 2 2 302.462 3.009 20 0 DGADLP Cc1cc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc[nH+]1 ZINC000119907540 195060034 /nfs/dbraw/zinc/06/00/34/195060034.db2.gz DSQFWZINYMDTLB-UHFFFAOYSA-N 2 2 316.449 3.118 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000120047251 195087747 /nfs/dbraw/zinc/08/77/47/195087747.db2.gz GTYLVVICVAYPOD-QOKNQOGYSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000120047251 195087748 /nfs/dbraw/zinc/08/77/48/195087748.db2.gz GTYLVVICVAYPOD-QOKNQOGYSA-N 2 2 324.472 3.407 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249183704 285062194 /nfs/dbraw/zinc/06/21/94/285062194.db2.gz JQMOMQMDRWVGIS-SJLPKXTDSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000249183704 285062195 /nfs/dbraw/zinc/06/21/95/285062195.db2.gz JQMOMQMDRWVGIS-SJLPKXTDSA-N 2 2 312.461 3.353 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000336857197 253009574 /nfs/dbraw/zinc/00/95/74/253009574.db2.gz QVACQTGDYLSVSX-UHFFFAOYSA-N 2 2 318.852 3.057 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871394 253015826 /nfs/dbraw/zinc/01/58/26/253015826.db2.gz FUJGRWYJPGSTNI-MSOLQXFVSA-N 2 2 316.445 3.417 20 0 DGADLP c1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871394 253015828 /nfs/dbraw/zinc/01/58/28/253015828.db2.gz FUJGRWYJPGSTNI-MSOLQXFVSA-N 2 2 316.445 3.417 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000337356873 253096231 /nfs/dbraw/zinc/09/62/31/253096231.db2.gz AWEXVUNKEAUPCH-OAHLLOKOSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000337356873 253096232 /nfs/dbraw/zinc/09/62/32/253096232.db2.gz AWEXVUNKEAUPCH-OAHLLOKOSA-N 2 2 320.477 3.017 20 0 DGADLP C[C@H]1CCCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337526580 253132772 /nfs/dbraw/zinc/13/27/72/253132772.db2.gz RRVREWGGWSNMLY-UONOGXRCSA-N 2 2 322.416 3.449 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccncc1F ZINC000337944150 253197965 /nfs/dbraw/zinc/19/79/65/253197965.db2.gz AGKSCWMOHJMERN-GFCCVEGCSA-N 2 2 314.339 3.396 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC[C@H]3C3CCC3)[nH+]c2)C1 ZINC000337999262 253207047 /nfs/dbraw/zinc/20/70/47/253207047.db2.gz OPBGUBCKCDYKBE-SQNIBIBYSA-N 2 2 314.477 3.213 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000338174359 253237112 /nfs/dbraw/zinc/23/71/12/253237112.db2.gz BBXMNNWNYWRFHR-MAUKXSAKSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1[nH]ncc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000338174359 253237114 /nfs/dbraw/zinc/23/71/14/253237114.db2.gz BBXMNNWNYWRFHR-MAUKXSAKSA-N 2 2 312.461 3.108 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000338279962 253255630 /nfs/dbraw/zinc/25/56/30/253255630.db2.gz CCTMTMGGWOWJDE-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000338291229 253258487 /nfs/dbraw/zinc/25/84/87/253258487.db2.gz LHFZRRPIERBUIT-MBNYWOFBSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000338291229 253258488 /nfs/dbraw/zinc/25/84/88/253258488.db2.gz LHFZRRPIERBUIT-MBNYWOFBSA-N 2 2 308.495 3.150 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000338294652 253259321 /nfs/dbraw/zinc/25/93/21/253259321.db2.gz KSSZPFQDLDXDRF-UYAOXDASSA-N 3 2 317.521 3.219 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000338294652 253259323 /nfs/dbraw/zinc/25/93/23/253259323.db2.gz KSSZPFQDLDXDRF-UYAOXDASSA-N 3 2 317.521 3.219 20 0 DGADLP C[N@H+](C(c1ccccc1)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000338308124 253262174 /nfs/dbraw/zinc/26/21/74/253262174.db2.gz QFQLIBAMFTYTHS-UHFFFAOYSA-N 2 2 324.468 3.165 20 0 DGADLP C[N@@H+](C(c1ccccc1)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000338308124 253262177 /nfs/dbraw/zinc/26/21/77/253262177.db2.gz QFQLIBAMFTYTHS-UHFFFAOYSA-N 2 2 324.468 3.165 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000442870430 533061380 /nfs/dbraw/zinc/06/13/80/533061380.db2.gz CUGLUHPSTGQNDS-GJZGRUSLSA-N 2 2 308.491 3.170 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000338334171 253266812 /nfs/dbraw/zinc/26/68/12/253266812.db2.gz ZOMLLXXJOURGDE-JKSUJKDBSA-N 2 2 303.450 3.134 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000338334171 253266813 /nfs/dbraw/zinc/26/68/13/253266813.db2.gz ZOMLLXXJOURGDE-JKSUJKDBSA-N 2 2 303.450 3.134 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000159197643 197335047 /nfs/dbraw/zinc/33/50/47/197335047.db2.gz OHTNDJZRFSBFEY-OAHLLOKOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000159197643 197335049 /nfs/dbraw/zinc/33/50/49/197335049.db2.gz OHTNDJZRFSBFEY-OAHLLOKOSA-N 2 2 308.853 3.266 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)CCOC)ccc2n1C1CC1 ZINC000338795679 253352257 /nfs/dbraw/zinc/35/22/57/253352257.db2.gz TWPVBYBAVPLGTP-ZDUSSCGKSA-N 2 2 301.434 3.448 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000272907363 210295240 /nfs/dbraw/zinc/29/52/40/210295240.db2.gz KXZSKPHNSSIGCN-RHSMWYFYSA-N 2 2 308.491 3.092 20 0 DGADLP COC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423347922 533091256 /nfs/dbraw/zinc/09/12/56/533091256.db2.gz SFLUFZOPMHBANV-HOCLYGCPSA-N 2 2 314.832 3.146 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1)CCC2 ZINC000341246241 253772373 /nfs/dbraw/zinc/77/23/73/253772373.db2.gz HGCNGDHZHJRYFG-GOEBONIOSA-N 2 2 315.465 3.067 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342601574 254016710 /nfs/dbraw/zinc/01/67/10/254016710.db2.gz WJKNCYYUIYUMOD-ZDUSSCGKSA-N 2 2 323.400 3.400 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000342675067 254030148 /nfs/dbraw/zinc/03/01/48/254030148.db2.gz JRSPHLDLXXSGOK-IBGZPJMESA-N 2 2 324.403 3.184 20 0 DGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000342732308 254039113 /nfs/dbraw/zinc/03/91/13/254039113.db2.gz HSEPUUPTCMKWQH-ROUUACIJSA-N 2 2 301.478 3.492 20 0 DGADLP Cc1c[nH+]c(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C ZINC000342774476 254047399 /nfs/dbraw/zinc/04/73/99/254047399.db2.gz FLHSQSUZTSUTDE-MRXNPFEDSA-N 2 2 318.509 3.205 20 0 DGADLP Cc1c[nH+]c(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C ZINC000342774476 254047402 /nfs/dbraw/zinc/04/74/02/254047402.db2.gz FLHSQSUZTSUTDE-MRXNPFEDSA-N 2 2 318.509 3.205 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000120310752 195141529 /nfs/dbraw/zinc/14/15/29/195141529.db2.gz WTFYEQHIVYZALE-GOSISDBHSA-N 2 2 324.428 3.349 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157462859 197189495 /nfs/dbraw/zinc/18/94/95/197189495.db2.gz PLYNJNWJVNUQMV-IBGZPJMESA-N 2 2 324.472 3.323 20 0 DGADLP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157462859 197189496 /nfs/dbraw/zinc/18/94/96/197189496.db2.gz PLYNJNWJVNUQMV-IBGZPJMESA-N 2 2 324.472 3.323 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343563532 254161143 /nfs/dbraw/zinc/16/11/43/254161143.db2.gz ZPXXSUCKHJMVPG-GOSISDBHSA-N 2 2 322.880 3.106 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343563532 254161145 /nfs/dbraw/zinc/16/11/45/254161145.db2.gz ZPXXSUCKHJMVPG-GOSISDBHSA-N 2 2 322.880 3.106 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000343562918 254161225 /nfs/dbraw/zinc/16/12/25/254161225.db2.gz KMWJKAYIOGIHSN-OAHLLOKOSA-N 2 2 319.474 3.363 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343781938 254187866 /nfs/dbraw/zinc/18/78/66/254187866.db2.gz BOFFWOCDROMXFV-UHFFFAOYSA-N 2 2 324.852 3.027 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343781938 254187868 /nfs/dbraw/zinc/18/78/68/254187868.db2.gz BOFFWOCDROMXFV-UHFFFAOYSA-N 2 2 324.852 3.027 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827909 254192997 /nfs/dbraw/zinc/19/29/97/254192997.db2.gz FGHBSGWPSGTYNZ-KXUCPTDWSA-N 2 2 307.385 3.295 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827909 254192999 /nfs/dbraw/zinc/19/29/99/254192999.db2.gz FGHBSGWPSGTYNZ-KXUCPTDWSA-N 2 2 307.385 3.295 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000294657149 224147393 /nfs/dbraw/zinc/14/73/93/224147393.db2.gz ADXMHSQNUCQIAA-QWHCGFSZSA-N 2 2 305.809 3.183 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000343873573 254198604 /nfs/dbraw/zinc/19/86/04/254198604.db2.gz QDSLIAUJPQUNLR-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000343873573 254198605 /nfs/dbraw/zinc/19/86/05/254198605.db2.gz QDSLIAUJPQUNLR-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000343873573 254198606 /nfs/dbraw/zinc/19/86/06/254198606.db2.gz QDSLIAUJPQUNLR-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000343873573 254198607 /nfs/dbraw/zinc/19/86/07/254198607.db2.gz QDSLIAUJPQUNLR-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045667 254217765 /nfs/dbraw/zinc/21/77/65/254217765.db2.gz GAMQDKLCRXKPOW-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045667 254217766 /nfs/dbraw/zinc/21/77/66/254217766.db2.gz GAMQDKLCRXKPOW-ZWKOTPCHSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344124978 254229186 /nfs/dbraw/zinc/22/91/86/254229186.db2.gz HSWHLAVSOHAJSG-SJORKVTESA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344671565 254294765 /nfs/dbraw/zinc/29/47/65/254294765.db2.gz AAQGRHJMCOTPHJ-XWPNQZOQSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344671565 254294767 /nfs/dbraw/zinc/29/47/67/254294767.db2.gz AAQGRHJMCOTPHJ-XWPNQZOQSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355616 254261480 /nfs/dbraw/zinc/26/14/80/254261480.db2.gz SZWZPOSMCAMSJJ-VQIMIIECSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355616 254261481 /nfs/dbraw/zinc/26/14/81/254261481.db2.gz SZWZPOSMCAMSJJ-VQIMIIECSA-N 2 2 302.462 3.228 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000344374573 254263802 /nfs/dbraw/zinc/26/38/02/254263802.db2.gz KWRXAROFPHPGBM-HIFRSBDPSA-N 2 2 314.857 3.160 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000344374573 254263804 /nfs/dbraw/zinc/26/38/04/254263804.db2.gz KWRXAROFPHPGBM-HIFRSBDPSA-N 2 2 314.857 3.160 20 0 DGADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157119470 197163847 /nfs/dbraw/zinc/16/38/47/197163847.db2.gz FXHMPGUGUSAYKS-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157119470 197163849 /nfs/dbraw/zinc/16/38/49/197163849.db2.gz FXHMPGUGUSAYKS-QGZVFWFLSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cccc2c(NCCNc3cccc[nH+]3)c(C)c[nH+]c12 ZINC000344936908 254317291 /nfs/dbraw/zinc/31/72/91/254317291.db2.gz HCKQIMQARMKPLX-UHFFFAOYSA-N 2 2 308.385 3.471 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1c1ccccc1 ZINC000261819231 285192689 /nfs/dbraw/zinc/19/26/89/285192689.db2.gz XPHABGDAMRXOCR-WBVHZDCISA-N 2 2 313.470 3.195 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1c1ccccc1 ZINC000261819231 285192692 /nfs/dbraw/zinc/19/26/92/285192692.db2.gz XPHABGDAMRXOCR-WBVHZDCISA-N 2 2 313.470 3.195 20 0 DGADLP COc1cc2[nH+]ccc(NCCc3cc[nH+]cc3C)c2cc1OC ZINC000413207201 533144983 /nfs/dbraw/zinc/14/49/83/533144983.db2.gz RIQSZQKZGYMGMY-UHFFFAOYSA-N 2 2 323.396 3.032 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000156403338 197110091 /nfs/dbraw/zinc/11/00/91/197110091.db2.gz JUYGQJXKCSBISK-KRWDZBQOSA-N 2 2 322.880 3.463 20 0 DGADLP CC[NH+]1CCC(Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000272195609 285209879 /nfs/dbraw/zinc/20/98/79/285209879.db2.gz ICIBVQDPZJTWNZ-UHFFFAOYSA-N 2 2 322.456 3.498 20 0 DGADLP COC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000155432157 197053782 /nfs/dbraw/zinc/05/37/82/197053782.db2.gz UPUOMMGUYPTFSY-AWEZNQCLSA-N 2 2 310.869 3.177 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)o1)C[NH+]1CCOCC1 ZINC000120366074 195151815 /nfs/dbraw/zinc/15/18/15/195151815.db2.gz MCXPCNQYKQLZFO-INIZCTEOSA-N 2 2 314.429 3.005 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112710 285234764 /nfs/dbraw/zinc/23/47/64/285234764.db2.gz RJPNWVYXOKBGGC-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112710 285234765 /nfs/dbraw/zinc/23/47/65/285234765.db2.gz RJPNWVYXOKBGGC-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112710 285234766 /nfs/dbraw/zinc/23/47/66/285234766.db2.gz RJPNWVYXOKBGGC-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)CC[C@H]21 ZINC000285112710 285234767 /nfs/dbraw/zinc/23/47/67/285234767.db2.gz RJPNWVYXOKBGGC-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000120444534 195168272 /nfs/dbraw/zinc/16/82/72/195168272.db2.gz XQJXOHNNIZXHNI-PKOBYXMFSA-N 2 2 324.472 3.055 20 0 DGADLP Cc1cccc(NCC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000120444534 195168274 /nfs/dbraw/zinc/16/82/74/195168274.db2.gz XQJXOHNNIZXHNI-PKOBYXMFSA-N 2 2 324.472 3.055 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000120651128 195208732 /nfs/dbraw/zinc/20/87/32/195208732.db2.gz HJJFJJUZFDVFAI-CYBMUJFWSA-N 2 2 323.396 3.424 20 0 DGADLP COc1ccc2[nH+]c(C)nc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC000301940727 285275416 /nfs/dbraw/zinc/27/54/16/285275416.db2.gz VZPABBMFJMLZJR-UONOGXRCSA-N 2 2 314.433 3.232 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198807 285282035 /nfs/dbraw/zinc/28/20/35/285282035.db2.gz OCPBEUSVWVQFFZ-MSOLQXFVSA-N 2 2 324.509 3.162 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303198807 285282036 /nfs/dbraw/zinc/28/20/36/285282036.db2.gz OCPBEUSVWVQFFZ-MSOLQXFVSA-N 2 2 324.509 3.162 20 0 DGADLP CC(C)Cn1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000289625400 221111303 /nfs/dbraw/zinc/11/13/03/221111303.db2.gz KEXWCWILTXCXCU-UHFFFAOYSA-N 2 2 323.444 3.074 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]CCCc1c[nH+]ccc1C)C(C)C ZINC000289701186 221164328 /nfs/dbraw/zinc/16/43/28/221164328.db2.gz NOAXZQBRKHCPMF-GOSISDBHSA-N 2 2 306.450 3.280 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1 ZINC000294897236 224293715 /nfs/dbraw/zinc/29/37/15/224293715.db2.gz WZNQUTBFLRTDRS-CYBMUJFWSA-N 2 2 324.432 3.273 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290007445 221376500 /nfs/dbraw/zinc/37/65/00/221376500.db2.gz DNDVXSKVTWUFSH-SJORKVTESA-N 2 2 311.385 3.201 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290026340 221387124 /nfs/dbraw/zinc/38/71/24/221387124.db2.gz COSLXSOMEZESDI-IEBWSBKVSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290026340 221387125 /nfs/dbraw/zinc/38/71/25/221387125.db2.gz COSLXSOMEZESDI-IEBWSBKVSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290026346 221387131 /nfs/dbraw/zinc/38/71/31/221387131.db2.gz COSLXSOMEZESDI-MJGOQNOKSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290026346 221387133 /nfs/dbraw/zinc/38/71/33/221387133.db2.gz COSLXSOMEZESDI-MJGOQNOKSA-N 2 2 324.472 3.430 20 0 DGADLP COc1ncccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290180266 221469945 /nfs/dbraw/zinc/46/99/45/221469945.db2.gz NLBUHRGHOGQVEU-HNNXBMFYSA-N 2 2 322.412 3.169 20 0 DGADLP Brc1ccsc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535041 285353001 /nfs/dbraw/zinc/35/30/01/285353001.db2.gz LQQGGVBMIRLBCS-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1ccsc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535041 285353006 /nfs/dbraw/zinc/35/30/06/285353006.db2.gz LQQGGVBMIRLBCS-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535572 285353786 /nfs/dbraw/zinc/35/37/86/285353786.db2.gz SFQKPYFKSXCHTN-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535572 285353791 /nfs/dbraw/zinc/35/37/91/285353791.db2.gz SFQKPYFKSXCHTN-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)o1 ZINC000352535297 285353880 /nfs/dbraw/zinc/35/38/80/285353880.db2.gz OUZFFPAIXFXPHN-KRWDZBQOSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)o1 ZINC000352535297 285353884 /nfs/dbraw/zinc/35/38/84/285353884.db2.gz OUZFFPAIXFXPHN-KRWDZBQOSA-N 2 2 317.458 3.287 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451031 285358162 /nfs/dbraw/zinc/35/81/62/285358162.db2.gz VQNDOYPGDOYEKO-YOEHRIQHSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000353451031 285358163 /nfs/dbraw/zinc/35/81/63/285358163.db2.gz VQNDOYPGDOYEKO-YOEHRIQHSA-N 2 2 320.477 3.017 20 0 DGADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000120996330 195277016 /nfs/dbraw/zinc/27/70/16/195277016.db2.gz OQXRQFITTZPOAW-SFHVURJKSA-N 2 2 319.493 3.271 20 0 DGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000411892106 533317821 /nfs/dbraw/zinc/31/78/21/533317821.db2.gz IYPJJULUPWTQTF-UXHICEINSA-N 2 2 310.441 3.020 20 0 DGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000411892106 533317826 /nfs/dbraw/zinc/31/78/26/533317826.db2.gz IYPJJULUPWTQTF-UXHICEINSA-N 2 2 310.441 3.020 20 0 DGADLP COc1ccc2[nH+]c(NCCc3cn4c([nH+]3)CCCC4)ccc2c1 ZINC000302632650 533352235 /nfs/dbraw/zinc/35/22/35/533352235.db2.gz GTORPLIINYHZTO-UHFFFAOYSA-N 2 2 322.412 3.431 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761921 533427287 /nfs/dbraw/zinc/42/72/87/533427287.db2.gz YIWBLEJCWDJUTI-VQIMIIECSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761921 533427295 /nfs/dbraw/zinc/42/72/95/533427295.db2.gz YIWBLEJCWDJUTI-VQIMIIECSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357205 533520492 /nfs/dbraw/zinc/52/04/92/533520492.db2.gz PNFCBJLLYGDPMO-OXQOHEQNSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357205 533520494 /nfs/dbraw/zinc/52/04/94/533520494.db2.gz PNFCBJLLYGDPMO-OXQOHEQNSA-N 2 2 312.457 3.337 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292857505 533570200 /nfs/dbraw/zinc/57/02/00/533570200.db2.gz CFWVURCQXMASJS-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292857505 533570202 /nfs/dbraw/zinc/57/02/02/533570202.db2.gz CFWVURCQXMASJS-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000292857505 533570205 /nfs/dbraw/zinc/57/02/05/533570205.db2.gz CFWVURCQXMASJS-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000292857505 533570210 /nfs/dbraw/zinc/57/02/10/533570210.db2.gz CFWVURCQXMASJS-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)cc1 ZINC000422706840 533614123 /nfs/dbraw/zinc/61/41/23/533614123.db2.gz GDTPJKANSUOCGX-RBUKOAKNSA-N 2 2 323.440 3.217 20 0 DGADLP COc1ccc(C[NH2+]CC[NH2+]C(C)(C)C)c(C(F)(F)F)c1 ZINC000415081124 533663245 /nfs/dbraw/zinc/66/32/45/533663245.db2.gz KDFYTLZZMLKFJW-UHFFFAOYSA-N 2 2 304.356 3.192 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CC2 ZINC000297710164 132030115 /nfs/dbraw/zinc/03/01/15/132030115.db2.gz MTARHZUAVBWPNT-IBGZPJMESA-N 2 2 324.472 3.494 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000163810109 132122425 /nfs/dbraw/zinc/12/24/25/132122425.db2.gz OKJBCQBEOLRHCD-HIFRSBDPSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000163810109 132122426 /nfs/dbraw/zinc/12/24/26/132122426.db2.gz OKJBCQBEOLRHCD-HIFRSBDPSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000163851323 132123888 /nfs/dbraw/zinc/12/38/88/132123888.db2.gz KWRHTYBTNXMQOJ-AAEUAGOBSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000163851323 132123890 /nfs/dbraw/zinc/12/38/90/132123890.db2.gz KWRHTYBTNXMQOJ-AAEUAGOBSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCOC1 ZINC000356829652 285511017 /nfs/dbraw/zinc/51/10/17/285511017.db2.gz AFFHNBCGRIOCED-QXAKKESOSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000356885350 285540452 /nfs/dbraw/zinc/54/04/52/285540452.db2.gz XHIDDOHQYPHKQQ-WDSOQIARSA-N 2 2 302.462 3.228 20 0 DGADLP CC[C@@H](C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1)[NH+](C)C ZINC000356974701 285585538 /nfs/dbraw/zinc/58/55/38/285585538.db2.gz NEVIMRCKEOMNAF-ZBFHGGJFSA-N 2 2 318.465 3.048 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC2(C)COC2)CC1 ZINC000357530215 285776281 /nfs/dbraw/zinc/77/62/81/285776281.db2.gz NUITVGYVNRAXMP-UHFFFAOYSA-N 2 2 313.445 3.272 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751073 400098096 /nfs/dbraw/zinc/09/80/96/400098096.db2.gz UENNFNDQIBBYMU-BJLQDIEVSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584751073 400098097 /nfs/dbraw/zinc/09/80/97/400098097.db2.gz UENNFNDQIBBYMU-BJLQDIEVSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584751073 400098099 /nfs/dbraw/zinc/09/80/99/400098099.db2.gz UENNFNDQIBBYMU-BJLQDIEVSA-N 3 2 317.521 3.215 20 0 DGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584751073 400098100 /nfs/dbraw/zinc/09/81/00/400098100.db2.gz UENNFNDQIBBYMU-BJLQDIEVSA-N 3 2 317.521 3.215 20 0 DGADLP C(C1CC1)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000584799566 400105558 /nfs/dbraw/zinc/10/55/58/400105558.db2.gz NIYNYGNIHHZELB-UHFFFAOYSA-N 3 2 319.537 3.248 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000609635753 400184063 /nfs/dbraw/zinc/18/40/63/400184063.db2.gz LXONDMKERYGGNA-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000609635753 400184066 /nfs/dbraw/zinc/18/40/66/400184066.db2.gz LXONDMKERYGGNA-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000609635753 400184069 /nfs/dbraw/zinc/18/40/69/400184069.db2.gz LXONDMKERYGGNA-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000609635753 400184073 /nfs/dbraw/zinc/18/40/73/400184073.db2.gz LXONDMKERYGGNA-FGTMMUONSA-N 2 2 324.509 3.305 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000091621975 400128130 /nfs/dbraw/zinc/12/81/30/400128130.db2.gz NCGLLFPFXYHFIY-STQMWFEESA-N 2 2 317.389 3.038 20 0 DGADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000091621975 400128138 /nfs/dbraw/zinc/12/81/38/400128138.db2.gz NCGLLFPFXYHFIY-STQMWFEESA-N 2 2 317.389 3.038 20 0 DGADLP CCOc1ccc(C2=CC[N@H+](CCn3cc[nH+]c3C)CC2)cc1 ZINC000091811201 400138476 /nfs/dbraw/zinc/13/84/76/400138476.db2.gz GGTAXEXFURXWDD-UHFFFAOYSA-N 2 2 311.429 3.380 20 0 DGADLP CCOc1ccc(C2=CC[N@@H+](CCn3cc[nH+]c3C)CC2)cc1 ZINC000091811201 400138484 /nfs/dbraw/zinc/13/84/84/400138484.db2.gz GGTAXEXFURXWDD-UHFFFAOYSA-N 2 2 311.429 3.380 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770503 400255715 /nfs/dbraw/zinc/25/57/15/400255715.db2.gz VNQWEAZSJXJEIG-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770503 400255717 /nfs/dbraw/zinc/25/57/17/400255717.db2.gz VNQWEAZSJXJEIG-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770503 400255720 /nfs/dbraw/zinc/25/57/20/400255720.db2.gz VNQWEAZSJXJEIG-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770503 400255723 /nfs/dbraw/zinc/25/57/23/400255723.db2.gz VNQWEAZSJXJEIG-INIZCTEOSA-N 2 2 320.477 3.256 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030646932 400330150 /nfs/dbraw/zinc/33/01/50/400330150.db2.gz MWCMDLGZJLWAFA-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP C(=C/c1ccccc1)\C[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000041604215 400410701 /nfs/dbraw/zinc/41/07/01/400410701.db2.gz VAMPNSQOISIDPC-RMKNXTFCSA-N 2 2 318.424 3.398 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708708 400420706 /nfs/dbraw/zinc/42/07/06/400420706.db2.gz BIJKCZDDVWQVLS-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708708 400420709 /nfs/dbraw/zinc/42/07/09/400420709.db2.gz BIJKCZDDVWQVLS-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000590708708 400420713 /nfs/dbraw/zinc/42/07/13/400420713.db2.gz BIJKCZDDVWQVLS-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@H]1CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000590708708 400420715 /nfs/dbraw/zinc/42/07/15/400420715.db2.gz BIJKCZDDVWQVLS-QZTJIDSGSA-N 2 2 324.509 3.305 20 0 DGADLP C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000074198694 400496700 /nfs/dbraw/zinc/49/67/00/400496700.db2.gz LENQZXJQQHKUNE-HNNXBMFYSA-N 2 2 312.417 3.075 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](CCCOCCc3ccccc3)C2)c[nH+]1 ZINC000591869344 400568473 /nfs/dbraw/zinc/56/84/73/400568473.db2.gz QOYPNOFZLFUBDI-LJQANCHMSA-N 2 2 313.445 3.169 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](CCCOCCc3ccccc3)C2)c[nH+]1 ZINC000591869344 400568476 /nfs/dbraw/zinc/56/84/76/400568476.db2.gz QOYPNOFZLFUBDI-LJQANCHMSA-N 2 2 313.445 3.169 20 0 DGADLP c1ccc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000157784765 400720398 /nfs/dbraw/zinc/72/03/98/400720398.db2.gz HOMYKOZTQKKAGP-QUCCMNQESA-N 2 2 323.440 3.170 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000604069724 400747735 /nfs/dbraw/zinc/74/77/35/400747735.db2.gz DWKROWSUNYTXSH-QGZVFWFLSA-N 2 2 320.440 3.317 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000604069724 400747738 /nfs/dbraw/zinc/74/77/38/400747738.db2.gz DWKROWSUNYTXSH-QGZVFWFLSA-N 2 2 320.440 3.317 20 0 DGADLP c1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517355 400696944 /nfs/dbraw/zinc/69/69/44/400696944.db2.gz RFMFLUVRKKYZGL-QGZVFWFLSA-N 2 2 314.429 3.166 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1SC ZINC000597977455 400708892 /nfs/dbraw/zinc/70/88/92/400708892.db2.gz OIBSQKFABNORDP-HNNXBMFYSA-N 2 2 317.458 3.451 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1SC ZINC000597977455 400708894 /nfs/dbraw/zinc/70/88/94/400708894.db2.gz OIBSQKFABNORDP-HNNXBMFYSA-N 2 2 317.458 3.451 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389642 400772566 /nfs/dbraw/zinc/77/25/66/400772566.db2.gz MSYSYQIAPFOBMI-MAUKXSAKSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389642 400772571 /nfs/dbraw/zinc/77/25/71/400772571.db2.gz MSYSYQIAPFOBMI-MAUKXSAKSA-N 2 2 321.896 3.113 20 0 DGADLP CCCCc1nc(C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)no1 ZINC000054337462 400818805 /nfs/dbraw/zinc/81/88/05/400818805.db2.gz ZNQRIHNRNGWVEC-UHFFFAOYSA-N 2 2 322.497 3.356 20 0 DGADLP CCCCc1nc(C[NH+]2CCC(C[N@H+](C)CCCC)CC2)no1 ZINC000054337462 400818813 /nfs/dbraw/zinc/81/88/13/400818813.db2.gz ZNQRIHNRNGWVEC-UHFFFAOYSA-N 2 2 322.497 3.356 20 0 DGADLP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619428569 400846055 /nfs/dbraw/zinc/84/60/55/400846055.db2.gz NKKHIDQUJVRJEP-QGZVFWFLSA-N 2 2 318.461 3.234 20 0 DGADLP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000619428569 400846059 /nfs/dbraw/zinc/84/60/59/400846059.db2.gz NKKHIDQUJVRJEP-QGZVFWFLSA-N 2 2 318.461 3.234 20 0 DGADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063366 400945071 /nfs/dbraw/zinc/94/50/71/400945071.db2.gz BOSVJWJNWVNIPC-WBVHZDCISA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599063366 400945074 /nfs/dbraw/zinc/94/50/74/400945074.db2.gz BOSVJWJNWVNIPC-WBVHZDCISA-N 2 2 324.509 3.351 20 0 DGADLP C[C@@H]([C@H]1CCCC[NH2+]1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514763 400952176 /nfs/dbraw/zinc/95/21/76/400952176.db2.gz OLPPZDABMCXXCI-IAOVAPTHSA-N 2 2 308.853 3.324 20 0 DGADLP C[C@@H]([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514763 400952181 /nfs/dbraw/zinc/95/21/81/400952181.db2.gz OLPPZDABMCXXCI-IAOVAPTHSA-N 2 2 308.853 3.324 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000598963288 400913681 /nfs/dbraw/zinc/91/36/81/400913681.db2.gz CELAYCVQYWJNRL-STQMWFEESA-N 2 2 324.490 3.276 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000598963288 400913684 /nfs/dbraw/zinc/91/36/84/400913684.db2.gz CELAYCVQYWJNRL-STQMWFEESA-N 2 2 324.490 3.276 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835199 400913738 /nfs/dbraw/zinc/91/37/38/400913738.db2.gz WVGVGYFKTSVFMU-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835199 400913743 /nfs/dbraw/zinc/91/37/43/400913743.db2.gz WVGVGYFKTSVFMU-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1nc2[nH]ccc2c(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000080953267 401005762 /nfs/dbraw/zinc/00/57/62/401005762.db2.gz IXJYHBHTMSOMHV-UHFFFAOYSA-N 2 2 318.384 3.123 20 0 DGADLP Cc1nc2[nH]ccc2c(NCc2ccc(Cn3cc[nH+]c3)cc2)[nH+]1 ZINC000080953267 401005773 /nfs/dbraw/zinc/00/57/73/401005773.db2.gz IXJYHBHTMSOMHV-UHFFFAOYSA-N 2 2 318.384 3.123 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)[nH]1 ZINC000080958910 401007423 /nfs/dbraw/zinc/00/74/23/401007423.db2.gz NNXXOEUZBNMABS-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)[nH]1 ZINC000080958910 401007428 /nfs/dbraw/zinc/00/74/28/401007428.db2.gz NNXXOEUZBNMABS-OAHLLOKOSA-N 2 2 308.385 3.444 20 0 DGADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000629557115 400973612 /nfs/dbraw/zinc/97/36/12/400973612.db2.gz CZPDBXSQSGHVCC-HNNXBMFYSA-N 2 2 311.429 3.281 20 0 DGADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000629557115 400973623 /nfs/dbraw/zinc/97/36/23/400973623.db2.gz CZPDBXSQSGHVCC-HNNXBMFYSA-N 2 2 311.429 3.281 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559803 400975471 /nfs/dbraw/zinc/97/54/71/400975471.db2.gz CMZYWYOSWAIANS-USWWRNFRSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559803 400975477 /nfs/dbraw/zinc/97/54/77/400975477.db2.gz CMZYWYOSWAIANS-USWWRNFRSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561348 400976090 /nfs/dbraw/zinc/97/60/90/400976090.db2.gz HUORLESCPXLIJG-JQWIXIFHSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561348 400976096 /nfs/dbraw/zinc/97/60/96/400976096.db2.gz HUORLESCPXLIJG-JQWIXIFHSA-N 2 2 324.749 3.438 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562093 400977330 /nfs/dbraw/zinc/97/73/30/400977330.db2.gz MPHSORPBPTZOEX-GIPNMCIBSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562093 400977332 /nfs/dbraw/zinc/97/73/32/400977332.db2.gz MPHSORPBPTZOEX-GIPNMCIBSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccsc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566134 400980439 /nfs/dbraw/zinc/98/04/39/400980439.db2.gz YMBAJSXLNCYJFZ-ZJUUUORDSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566134 400980446 /nfs/dbraw/zinc/98/04/46/400980446.db2.gz YMBAJSXLNCYJFZ-ZJUUUORDSA-N 2 2 312.788 3.361 20 0 DGADLP Cc1[nH+]cc(CNC[C@@H](CC(C)C)[NH+](C)C)n1-c1ccccc1 ZINC000081292550 401049756 /nfs/dbraw/zinc/04/97/56/401049756.db2.gz KKKCNZBQGHMCRG-GOSISDBHSA-N 2 2 314.477 3.247 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000625177945 401050147 /nfs/dbraw/zinc/05/01/47/401050147.db2.gz BCTAQDITWRLMRC-HNNXBMFYSA-N 2 2 308.853 3.496 20 0 DGADLP c1c[nH+]c(-c2cccc(-c3ccc(CN4CC[NH2+]CC4)cc3)c2)[nH]1 ZINC000629708723 401052504 /nfs/dbraw/zinc/05/25/04/401052504.db2.gz KILUAUBWKUSXII-UHFFFAOYSA-N 2 2 318.424 3.149 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@H]4C[NH2+]CCO4)cc3)cc2)c[nH+]1 ZINC000629741848 401072017 /nfs/dbraw/zinc/07/20/17/401072017.db2.gz FGAOTYZTQAWVSL-HXUWFJFHSA-N 2 2 319.408 3.259 20 0 DGADLP CCOc1cncc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000621326443 401165898 /nfs/dbraw/zinc/16/58/98/401165898.db2.gz IULSHDXPVBPFEO-UHFFFAOYSA-N 2 2 313.445 3.092 20 0 DGADLP CCOc1cncc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000621326443 401165904 /nfs/dbraw/zinc/16/59/04/401165904.db2.gz IULSHDXPVBPFEO-UHFFFAOYSA-N 2 2 313.445 3.092 20 0 DGADLP CCc1nnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000682533220 549336069 /nfs/dbraw/zinc/33/60/69/549336069.db2.gz YQSYINLXGKXGCZ-GFCCVEGCSA-N 2 2 313.430 3.137 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381645 401193741 /nfs/dbraw/zinc/19/37/41/401193741.db2.gz YGRJLUZTBXYEQP-SFHVURJKSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381645 401193746 /nfs/dbraw/zinc/19/37/46/401193746.db2.gz YGRJLUZTBXYEQP-SFHVURJKSA-N 2 2 313.445 3.164 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1CCOC1 ZINC000358342686 286036840 /nfs/dbraw/zinc/03/68/40/286036840.db2.gz QKJUJAZTLAGOAK-SUMDDJOVSA-N 2 2 317.477 3.012 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090177281 401262096 /nfs/dbraw/zinc/26/20/96/401262096.db2.gz HPIGKXFKOGNAOH-VXGBXAGGSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090177281 401262101 /nfs/dbraw/zinc/26/21/01/401262101.db2.gz HPIGKXFKOGNAOH-VXGBXAGGSA-N 2 2 314.351 3.144 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC000090409240 401264148 /nfs/dbraw/zinc/26/41/48/401264148.db2.gz HXQXXOVFIMZYKS-QUCCMNQESA-N 2 2 315.505 3.023 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000090409240 401264157 /nfs/dbraw/zinc/26/41/57/401264157.db2.gz HXQXXOVFIMZYKS-QUCCMNQESA-N 2 2 315.505 3.023 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000621726492 401285773 /nfs/dbraw/zinc/28/57/73/401285773.db2.gz YUEZCQSRWFNDMD-MRXNPFEDSA-N 2 2 322.518 3.245 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000621726492 401285777 /nfs/dbraw/zinc/28/57/77/401285777.db2.gz YUEZCQSRWFNDMD-MRXNPFEDSA-N 2 2 322.518 3.245 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000090048152 401250583 /nfs/dbraw/zinc/25/05/83/401250583.db2.gz CZLUFLXGMADJOJ-CZUORRHYSA-N 2 2 324.465 3.063 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000090047546 401250619 /nfs/dbraw/zinc/25/06/19/401250619.db2.gz GAAGPIZIVWDRTJ-OLZOCXBDSA-N 2 2 314.832 3.241 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004813 401335411 /nfs/dbraw/zinc/33/54/11/401335411.db2.gz VGPBBWONXZVLOO-RDTXWAMCSA-N 2 2 319.880 3.253 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c(Cl)cccc1N1CCCC1)C2 ZINC000622004813 401335412 /nfs/dbraw/zinc/33/54/12/401335412.db2.gz VGPBBWONXZVLOO-RDTXWAMCSA-N 2 2 319.880 3.253 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nc(C)no1 ZINC000626061943 401291306 /nfs/dbraw/zinc/29/13/06/401291306.db2.gz ABQPDWQMQICWBI-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nc(C)no1 ZINC000626061943 401291308 /nfs/dbraw/zinc/29/13/08/401291308.db2.gz ABQPDWQMQICWBI-ZDUSSCGKSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nnc(C)s1 ZINC000626063042 401292080 /nfs/dbraw/zinc/29/20/80/401292080.db2.gz PEHZIPBTJDYKPB-ZDUSSCGKSA-N 2 2 318.490 3.491 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1nnc(C)s1 ZINC000626063042 401292085 /nfs/dbraw/zinc/29/20/85/401292085.db2.gz PEHZIPBTJDYKPB-ZDUSSCGKSA-N 2 2 318.490 3.491 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000626087304 401297208 /nfs/dbraw/zinc/29/72/08/401297208.db2.gz JIBFRFMSXJQYOG-TWGQIWQCSA-N 2 2 314.473 3.277 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000631041347 401375982 /nfs/dbraw/zinc/37/59/82/401375982.db2.gz WWRDQHKFQBHVNP-UHFFFAOYSA-N 2 2 314.857 3.177 20 0 DGADLP COc1cc(Cl)c(C[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000631041347 401375985 /nfs/dbraw/zinc/37/59/85/401375985.db2.gz WWRDQHKFQBHVNP-UHFFFAOYSA-N 2 2 314.857 3.177 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952560 401387790 /nfs/dbraw/zinc/38/77/90/401387790.db2.gz CHSSNSLODXWQOS-HZPDHXFCSA-N 2 2 313.445 3.442 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000635003059 401398584 /nfs/dbraw/zinc/39/85/84/401398584.db2.gz FNMHXLHUGKMGSM-KCXZSRPNSA-N 2 2 312.816 3.039 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]Cc3ccc(=O)[nH]c3)ccc2n1C1CC1 ZINC000631130023 401404098 /nfs/dbraw/zinc/40/40/98/401404098.db2.gz CZSQDBNKNSTMTF-UHFFFAOYSA-N 2 2 322.412 3.324 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000631185505 401418869 /nfs/dbraw/zinc/41/88/69/401418869.db2.gz NENREMWLRQSVDB-WBVHZDCISA-N 2 2 317.820 3.103 20 0 DGADLP CC[C@](C)([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1 ZINC000631195533 401422976 /nfs/dbraw/zinc/42/29/76/401422976.db2.gz YXTBAIYJEGLQJZ-KRWDZBQOSA-N 2 2 304.413 3.040 20 0 DGADLP COc1cc(C)ccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089806 401463609 /nfs/dbraw/zinc/46/36/09/401463609.db2.gz ZKZULTPZJLTDLN-UHFFFAOYSA-N 2 2 312.404 3.070 20 0 DGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000631566890 401500036 /nfs/dbraw/zinc/50/00/36/401500036.db2.gz UBARIVCZWGDUMA-GOSISDBHSA-N 2 2 311.429 3.048 20 0 DGADLP COc1cccc2c1OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000631571594 401501623 /nfs/dbraw/zinc/50/16/23/401501623.db2.gz GLIFNUFACPITKU-INIZCTEOSA-N 2 2 315.417 3.175 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403294 401508965 /nfs/dbraw/zinc/50/89/65/401508965.db2.gz QYBDCMXTTILZIA-CRAIPNDOSA-N 2 2 320.440 3.488 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403294 401508966 /nfs/dbraw/zinc/50/89/66/401508966.db2.gz QYBDCMXTTILZIA-CRAIPNDOSA-N 2 2 320.440 3.488 20 0 DGADLP COc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1Cl ZINC000623441779 401518973 /nfs/dbraw/zinc/51/89/73/401518973.db2.gz JGLZROOMIPAMEX-UHFFFAOYSA-N 2 2 305.809 3.335 20 0 DGADLP C[C@H](C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1)[NH+](C)C ZINC000636065770 401527537 /nfs/dbraw/zinc/52/75/37/401527537.db2.gz IWNPSNRPELVPHC-CYBMUJFWSA-N 2 2 322.412 3.042 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631663685 401528471 /nfs/dbraw/zinc/52/84/71/401528471.db2.gz KMFPOTCSLPVVTG-AYBZRNKSSA-N 2 2 324.472 3.204 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631663685 401528472 /nfs/dbraw/zinc/52/84/72/401528472.db2.gz KMFPOTCSLPVVTG-AYBZRNKSSA-N 2 2 324.472 3.204 20 0 DGADLP CC(C)n1c[nH+]cc1CN1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000623283995 401486511 /nfs/dbraw/zinc/48/65/11/401486511.db2.gz UNRVNSBGIVVAHJ-KRWDZBQOSA-N 2 2 312.461 3.347 20 0 DGADLP CC[NH+](CC)CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccccc1 ZINC000628156207 401537527 /nfs/dbraw/zinc/53/75/27/401537527.db2.gz GSVRCCGDSSZJTD-UHFFFAOYSA-N 2 2 314.477 3.371 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631867914 401562296 /nfs/dbraw/zinc/56/22/96/401562296.db2.gz OUVLQTQJTSMJJO-APWZRJJASA-N 2 2 309.413 3.106 20 0 DGADLP c1nc(C2CC2)oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000628190438 401546972 /nfs/dbraw/zinc/54/69/72/401546972.db2.gz GDJOIZKAFIOHAN-WMLDXEAASA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000628190438 401546974 /nfs/dbraw/zinc/54/69/74/401546974.db2.gz GDJOIZKAFIOHAN-WMLDXEAASA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000628190438 401546976 /nfs/dbraw/zinc/54/69/76/401546976.db2.gz GDJOIZKAFIOHAN-WMLDXEAASA-N 2 2 301.434 3.001 20 0 DGADLP c1nc(C2CC2)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000628190438 401546978 /nfs/dbraw/zinc/54/69/78/401546978.db2.gz GDJOIZKAFIOHAN-WMLDXEAASA-N 2 2 301.434 3.001 20 0 DGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1Cl ZINC000623561503 401547048 /nfs/dbraw/zinc/54/70/48/401547048.db2.gz PBKUMSDZDRBKBR-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1Cl ZINC000623561503 401547049 /nfs/dbraw/zinc/54/70/49/401547049.db2.gz PBKUMSDZDRBKBR-JKSUJKDBSA-N 2 2 308.853 3.455 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc2ccccc2n1)C(C)(C)C ZINC000628215617 401552263 /nfs/dbraw/zinc/55/22/63/401552263.db2.gz OGXDOBLEOYGXOD-QGZVFWFLSA-N 2 2 300.450 3.086 20 0 DGADLP C[NH+](C)C1(C[NH2+]CCc2cccc(C(F)(F)F)c2)CCC1 ZINC000628243752 401558714 /nfs/dbraw/zinc/55/87/14/401558714.db2.gz FWABRQOBKIXRAV-UHFFFAOYSA-N 2 2 300.368 3.322 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000624110369 401627503 /nfs/dbraw/zinc/62/75/03/401627503.db2.gz WMOASNUSXLJWRH-QXAKKESOSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000624110369 401627506 /nfs/dbraw/zinc/62/75/06/401627506.db2.gz WMOASNUSXLJWRH-QXAKKESOSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000624110367 401627556 /nfs/dbraw/zinc/62/75/56/401627556.db2.gz WMOASNUSXLJWRH-BHIYHBOVSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000624110367 401627557 /nfs/dbraw/zinc/62/75/57/401627557.db2.gz WMOASNUSXLJWRH-BHIYHBOVSA-N 2 2 304.478 3.209 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624169902 401634541 /nfs/dbraw/zinc/63/45/41/401634541.db2.gz AOEUZTDTWUPIBL-SJLPKXTDSA-N 2 2 320.864 3.170 20 0 DGADLP Cc1csc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)n1 ZINC000624006467 401611516 /nfs/dbraw/zinc/61/15/16/401611516.db2.gz XZTAYJJVEPVWNY-ZDUSSCGKSA-N 2 2 300.431 3.301 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624335448 401652701 /nfs/dbraw/zinc/65/27/01/401652701.db2.gz RQCJTPJRJQXKQO-UZLBHIALSA-N 2 2 310.441 3.071 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1cccc(-c2ccccc2)c1 ZINC000624335448 401652702 /nfs/dbraw/zinc/65/27/02/401652702.db2.gz RQCJTPJRJQXKQO-UZLBHIALSA-N 2 2 310.441 3.071 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339074 401652961 /nfs/dbraw/zinc/65/29/61/401652961.db2.gz LHWMNKUTUGXFQI-NJAFHUGGSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339074 401652962 /nfs/dbraw/zinc/65/29/62/401652962.db2.gz LHWMNKUTUGXFQI-NJAFHUGGSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624339750 401653056 /nfs/dbraw/zinc/65/30/56/401653056.db2.gz UDQGATIWKGCDLN-SZMVWBNQSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000624339750 401653059 /nfs/dbraw/zinc/65/30/59/401653059.db2.gz UDQGATIWKGCDLN-SZMVWBNQSA-N 2 2 322.880 3.022 20 0 DGADLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000358721684 286132769 /nfs/dbraw/zinc/13/27/69/286132769.db2.gz XTULAVDYDSNVCC-SFHVURJKSA-N 2 2 322.880 3.055 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000358925488 286189096 /nfs/dbraw/zinc/18/90/96/286189096.db2.gz FDBTZOCGXSTPOR-ICSRJNTNSA-N 2 2 324.472 3.224 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000359014650 286215500 /nfs/dbraw/zinc/21/55/00/286215500.db2.gz BMKBALJNCYNTEQ-YVWKXTFCSA-N 2 2 316.489 3.097 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000359014650 286215501 /nfs/dbraw/zinc/21/55/01/286215501.db2.gz BMKBALJNCYNTEQ-YVWKXTFCSA-N 2 2 316.489 3.097 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCCCOC)c2ccccc2)C1 ZINC000359030185 286219369 /nfs/dbraw/zinc/21/93/69/286219369.db2.gz OWSKWBVPSAYVCG-YTQUADARSA-N 2 2 304.478 3.474 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCCCOC)c2ccccc2)C1 ZINC000359030185 286219370 /nfs/dbraw/zinc/21/93/70/286219370.db2.gz OWSKWBVPSAYVCG-YTQUADARSA-N 2 2 304.478 3.474 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000359051246 286224674 /nfs/dbraw/zinc/22/46/74/286224674.db2.gz VHOVSWPIQWNZEE-VUHPKUFZSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000359051246 286224675 /nfs/dbraw/zinc/22/46/75/286224675.db2.gz VHOVSWPIQWNZEE-VUHPKUFZSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@H](CN1CCCCCC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359094272 286235430 /nfs/dbraw/zinc/23/54/30/286235430.db2.gz WFDGJACPTBFOAC-OAHLLOKOSA-N 2 2 318.490 3.288 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000359387345 286297843 /nfs/dbraw/zinc/29/78/43/286297843.db2.gz WXSUOSBCNFALFD-LBPRGKRZSA-N 2 2 312.429 3.081 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359588562 286342599 /nfs/dbraw/zinc/34/25/99/286342599.db2.gz IMSQBBPIAAQTOE-HIFRSBDPSA-N 2 2 315.461 3.051 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359588562 286342601 /nfs/dbraw/zinc/34/26/01/286342601.db2.gz IMSQBBPIAAQTOE-HIFRSBDPSA-N 2 2 315.461 3.051 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)[C@@H](C)C1 ZINC000359622644 286349131 /nfs/dbraw/zinc/34/91/31/286349131.db2.gz SMOOPCYGNLVVIO-QOKNQOGYSA-N 2 2 318.461 3.085 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)[C@@H](C)C1 ZINC000359622644 286349134 /nfs/dbraw/zinc/34/91/34/286349134.db2.gz SMOOPCYGNLVVIO-QOKNQOGYSA-N 2 2 318.461 3.085 20 0 DGADLP CC[C@H](C[NH2+][C@@H](COC)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000359662760 286356355 /nfs/dbraw/zinc/35/63/55/286356355.db2.gz KWMNFNOWGUSAGH-MOPGFXCFSA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@H](C[NH2+][C@@H](COC)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000359662760 286356357 /nfs/dbraw/zinc/35/63/57/286356357.db2.gz KWMNFNOWGUSAGH-MOPGFXCFSA-N 2 2 304.478 3.084 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000359679869 286359603 /nfs/dbraw/zinc/35/96/03/286359603.db2.gz PTRSJIPGTRNHOY-JTDSTZFVSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000359679869 286359604 /nfs/dbraw/zinc/35/96/04/286359604.db2.gz PTRSJIPGTRNHOY-JTDSTZFVSA-N 2 2 302.462 3.153 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000471612297 286395098 /nfs/dbraw/zinc/39/50/98/286395098.db2.gz SFMGLZXEDOGPGF-OWLYRPNTSA-N 2 2 304.478 3.471 20 0 DGADLP Cn1c(NCc2cccc(-c3[nH]cc[nH+]3)c2)[nH+]c2cccc(F)c21 ZINC000361074711 286591286 /nfs/dbraw/zinc/59/12/86/286591286.db2.gz VIIGTBGKYXCRTN-UHFFFAOYSA-N 2 2 321.359 3.137 20 0 DGADLP CCCC[C@@H](C(=O)OC)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361074762 286591686 /nfs/dbraw/zinc/59/16/86/286591686.db2.gz QMYDKPKOEICCKT-KRWDZBQOSA-N 2 2 321.465 3.107 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000361239008 286631828 /nfs/dbraw/zinc/63/18/28/286631828.db2.gz XEQSKFLPXHLFBT-UHFFFAOYSA-N 2 2 315.417 3.490 20 0 DGADLP CCOCCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000361358538 286660471 /nfs/dbraw/zinc/66/04/71/286660471.db2.gz YEFNFTGIVNUWND-UHFFFAOYSA-N 2 2 301.434 3.408 20 0 DGADLP C[C@@H]1CC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)C1 ZINC000361891307 286739974 /nfs/dbraw/zinc/73/99/74/286739974.db2.gz WTVMDUXLNDDVQB-HOTGVXAUSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000157462141 286814533 /nfs/dbraw/zinc/81/45/33/286814533.db2.gz SSDFWAVARHFXTI-HKUYNNGSSA-N 2 2 312.461 3.088 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284041 287007550 /nfs/dbraw/zinc/00/75/50/287007550.db2.gz RBLLZVVUBZRUMJ-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284041 287007552 /nfs/dbraw/zinc/00/75/52/287007552.db2.gz RBLLZVVUBZRUMJ-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000364284041 287007554 /nfs/dbraw/zinc/00/75/54/287007554.db2.gz RBLLZVVUBZRUMJ-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000364284041 287007555 /nfs/dbraw/zinc/00/75/55/287007555.db2.gz RBLLZVVUBZRUMJ-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP CC[C@H](C)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364701007 287053757 /nfs/dbraw/zinc/05/37/57/287053757.db2.gz WPFNPDOOKMFKNB-XYJFISCASA-N 2 2 306.498 3.171 20 0 DGADLP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364701007 287053761 /nfs/dbraw/zinc/05/37/61/287053761.db2.gz WPFNPDOOKMFKNB-XYJFISCASA-N 2 2 306.498 3.171 20 0 DGADLP CC[C@H](C)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364701007 287053762 /nfs/dbraw/zinc/05/37/62/287053762.db2.gz WPFNPDOOKMFKNB-XYJFISCASA-N 2 2 306.498 3.171 20 0 DGADLP CC[C@H](C)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364701007 287053765 /nfs/dbraw/zinc/05/37/65/287053765.db2.gz WPFNPDOOKMFKNB-XYJFISCASA-N 2 2 306.498 3.171 20 0 DGADLP CC[C@H]1[C@H](C)CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185637021 165011233 /nfs/dbraw/zinc/01/12/33/165011233.db2.gz KGFGUYXBQZFCBD-SKDZVZGDSA-N 2 2 315.461 3.134 20 0 DGADLP CC[C@H]1[C@H](C)CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000185637021 165011236 /nfs/dbraw/zinc/01/12/36/165011236.db2.gz KGFGUYXBQZFCBD-SKDZVZGDSA-N 2 2 315.461 3.134 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCSCC1 ZINC000187055197 165075695 /nfs/dbraw/zinc/07/56/95/165075695.db2.gz AIUWSBRGLZYGRC-CQSZACIVSA-N 2 2 301.459 3.494 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000188076350 165111211 /nfs/dbraw/zinc/11/12/11/165111211.db2.gz PXOHCZPIIUORCX-UHFFFAOYSA-N 2 2 315.255 3.348 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC000188076350 165111217 /nfs/dbraw/zinc/11/12/17/165111217.db2.gz PXOHCZPIIUORCX-UHFFFAOYSA-N 2 2 315.255 3.348 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(F)nc3)C2)CC1 ZINC000189309335 165158504 /nfs/dbraw/zinc/15/85/04/165158504.db2.gz STZSSNGAZBJQGU-KRWDZBQOSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(F)nc3)C2)CC1 ZINC000189309335 165158508 /nfs/dbraw/zinc/15/85/08/165158508.db2.gz STZSSNGAZBJQGU-KRWDZBQOSA-N 2 2 305.441 3.165 20 0 DGADLP C[C@H](C[NH2+]Cc1nccn1-c1ccccc1)C[NH+]1CCCCC1 ZINC000190800356 165217757 /nfs/dbraw/zinc/21/77/57/165217757.db2.gz RIKRPVLOPKSIBZ-QGZVFWFLSA-N 2 2 312.461 3.084 20 0 DGADLP Cc1c[nH+]ccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000191982210 165277487 /nfs/dbraw/zinc/27/74/87/165277487.db2.gz NDKYJFUOHDTRIJ-UHFFFAOYSA-N 2 2 318.424 3.392 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191952780 165277712 /nfs/dbraw/zinc/27/77/12/165277712.db2.gz UAOYLAIWWNMQGR-QGZVFWFLSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191952780 165277714 /nfs/dbraw/zinc/27/77/14/165277714.db2.gz UAOYLAIWWNMQGR-QGZVFWFLSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000192070860 165280261 /nfs/dbraw/zinc/28/02/61/165280261.db2.gz OLERJJSUCQMGCO-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000192070860 165280264 /nfs/dbraw/zinc/28/02/64/165280264.db2.gz OLERJJSUCQMGCO-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000192099885 165280552 /nfs/dbraw/zinc/28/05/52/165280552.db2.gz AZJWMEZRVWDQFP-UHFFFAOYSA-N 3 2 312.461 3.143 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(F)c1Br ZINC000226392981 165384003 /nfs/dbraw/zinc/38/40/03/165384003.db2.gz FNWCSEFIVQAWNP-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1Br ZINC000226392981 165384007 /nfs/dbraw/zinc/38/40/07/165384007.db2.gz FNWCSEFIVQAWNP-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343826 165385818 /nfs/dbraw/zinc/38/58/18/165385818.db2.gz LBZVGLGHZFSVPM-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343826 165385819 /nfs/dbraw/zinc/38/58/19/165385819.db2.gz LBZVGLGHZFSVPM-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343826 165385820 /nfs/dbraw/zinc/38/58/20/165385820.db2.gz LBZVGLGHZFSVPM-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@H]21 ZINC000227343826 165385822 /nfs/dbraw/zinc/38/58/22/165385822.db2.gz LBZVGLGHZFSVPM-GDBMZVCRSA-N 2 2 323.278 3.365 20 0 DGADLP Cc1cscc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000365874554 287183216 /nfs/dbraw/zinc/18/32/16/287183216.db2.gz DXKKHJLUQRWAQE-KBXCAEBGSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000365874554 287183218 /nfs/dbraw/zinc/18/32/18/287183218.db2.gz DXKKHJLUQRWAQE-KBXCAEBGSA-N 2 2 315.486 3.452 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129163222 196024851 /nfs/dbraw/zinc/02/48/51/196024851.db2.gz GPIOUOXBOFKITB-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129163222 196024853 /nfs/dbraw/zinc/02/48/53/196024853.db2.gz GPIOUOXBOFKITB-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129163222 196024855 /nfs/dbraw/zinc/02/48/55/196024855.db2.gz GPIOUOXBOFKITB-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@@H]21 ZINC000129163222 196024857 /nfs/dbraw/zinc/02/48/57/196024857.db2.gz GPIOUOXBOFKITB-ZBFHGGJFSA-N 2 2 323.278 3.365 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014065 432150864 /nfs/dbraw/zinc/15/08/64/432150864.db2.gz XYWAHGCSSWPADN-VCBZYWHSSA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014065 432150867 /nfs/dbraw/zinc/15/08/67/432150867.db2.gz XYWAHGCSSWPADN-VCBZYWHSSA-N 2 2 310.445 3.006 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000136289935 432151481 /nfs/dbraw/zinc/15/14/81/432151481.db2.gz WBDGUZMOKNKULE-CYBMUJFWSA-N 2 2 322.478 3.268 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000136289935 432151491 /nfs/dbraw/zinc/15/14/91/432151491.db2.gz WBDGUZMOKNKULE-CYBMUJFWSA-N 2 2 322.478 3.268 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)cc2)c[nH+]1 ZINC000136710720 432161726 /nfs/dbraw/zinc/16/17/26/432161726.db2.gz LTUVYRJGTPOTCA-QGZVFWFLSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000136501087 432155879 /nfs/dbraw/zinc/15/58/79/432155879.db2.gz LMXJOWCOFLUSDN-DOMZBBRYSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000136501087 432155882 /nfs/dbraw/zinc/15/58/82/432155882.db2.gz LMXJOWCOFLUSDN-DOMZBBRYSA-N 2 2 323.278 3.206 20 0 DGADLP CC(C)(C)n1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246839650 432172047 /nfs/dbraw/zinc/17/20/47/432172047.db2.gz RWEKJQYHVXGXDZ-FUHWJXTLSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246839650 432172052 /nfs/dbraw/zinc/17/20/52/432172052.db2.gz RWEKJQYHVXGXDZ-FUHWJXTLSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246839650 432172055 /nfs/dbraw/zinc/17/20/55/432172055.db2.gz RWEKJQYHVXGXDZ-FUHWJXTLSA-N 2 2 316.493 3.087 20 0 DGADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1nccn1C ZINC000182218929 432168210 /nfs/dbraw/zinc/16/82/10/432168210.db2.gz WXMAFKPJNHQSCP-OAHLLOKOSA-N 2 2 311.433 3.209 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000171860118 432179405 /nfs/dbraw/zinc/17/94/05/432179405.db2.gz HBJNRDUWXHOCKL-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000171860118 432179407 /nfs/dbraw/zinc/17/94/07/432179407.db2.gz HBJNRDUWXHOCKL-KRWDZBQOSA-N 2 2 317.477 3.178 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246928332 432181472 /nfs/dbraw/zinc/18/14/72/432181472.db2.gz GZYVFWJTQKGGMV-NVXWUHKLSA-N 3 2 312.461 3.173 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246928332 432181474 /nfs/dbraw/zinc/18/14/74/432181474.db2.gz GZYVFWJTQKGGMV-NVXWUHKLSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cs1 ZINC000269430500 432172636 /nfs/dbraw/zinc/17/26/36/432172636.db2.gz PGJLXKJJKLPUKO-CYBMUJFWSA-N 2 2 319.474 3.243 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246959885 432185137 /nfs/dbraw/zinc/18/51/37/432185137.db2.gz IOJUVWBENTWGJM-CWQOZTLDSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246959885 432185139 /nfs/dbraw/zinc/18/51/39/432185139.db2.gz IOJUVWBENTWGJM-CWQOZTLDSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246959885 432185143 /nfs/dbraw/zinc/18/51/43/432185143.db2.gz IOJUVWBENTWGJM-CWQOZTLDSA-N 3 2 309.542 3.061 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246959885 432185145 /nfs/dbraw/zinc/18/51/45/432185145.db2.gz IOJUVWBENTWGJM-CWQOZTLDSA-N 3 2 309.542 3.061 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000148026675 432186878 /nfs/dbraw/zinc/18/68/78/432186878.db2.gz PFVZTIGGZHQFBD-UHFFFAOYSA-N 2 2 317.296 3.473 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2nccn2C)CC1 ZINC000182485700 432195640 /nfs/dbraw/zinc/19/56/40/432195640.db2.gz GLNYTXVTHAIOHC-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000190881358 432197403 /nfs/dbraw/zinc/19/74/03/432197403.db2.gz KAVRRWFXGKKPSS-TZMCWYRMSA-N 2 2 310.388 3.045 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000190881358 432197404 /nfs/dbraw/zinc/19/74/04/432197404.db2.gz KAVRRWFXGKKPSS-TZMCWYRMSA-N 2 2 310.388 3.045 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OC(F)(F)F ZINC000182618637 432209978 /nfs/dbraw/zinc/20/99/78/432209978.db2.gz XZOQMJKOZPXHHQ-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OC(F)(F)F ZINC000182618637 432209983 /nfs/dbraw/zinc/20/99/83/432209983.db2.gz XZOQMJKOZPXHHQ-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692296 432218672 /nfs/dbraw/zinc/21/86/72/432218672.db2.gz ASKMXHGOROODBB-HUUCEWRRSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692296 432218673 /nfs/dbraw/zinc/21/86/73/432218673.db2.gz ASKMXHGOROODBB-HUUCEWRRSA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692262 432219614 /nfs/dbraw/zinc/21/96/14/432219614.db2.gz ASKMXHGOROODBB-CABCVRRESA-N 2 2 318.490 3.044 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692262 432219617 /nfs/dbraw/zinc/21/96/17/432219617.db2.gz ASKMXHGOROODBB-CABCVRRESA-N 2 2 318.490 3.044 20 0 DGADLP Clc1cccc2c1OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151120010 432221011 /nfs/dbraw/zinc/22/10/11/432221011.db2.gz GFKOAXUSTHWQSI-OAHLLOKOSA-N 2 2 305.809 3.430 20 0 DGADLP COc1ncccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151153394 432223131 /nfs/dbraw/zinc/22/31/31/432223131.db2.gz HBRPAGPNDBWCIE-AWEZNQCLSA-N 2 2 322.412 3.435 20 0 DGADLP Cc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccccn2)c1 ZINC000131977852 196215061 /nfs/dbraw/zinc/21/50/61/196215061.db2.gz XQZYKUVFSGCVGM-UHFFFAOYSA-N 2 2 306.413 3.289 20 0 DGADLP Cc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccn2)c1 ZINC000131977852 196215063 /nfs/dbraw/zinc/21/50/63/196215063.db2.gz XQZYKUVFSGCVGM-UHFFFAOYSA-N 2 2 306.413 3.289 20 0 DGADLP C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132397034 196252442 /nfs/dbraw/zinc/25/24/42/196252442.db2.gz DTSAXPQXMJYVST-QGZVFWFLSA-N 2 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132579694 196267238 /nfs/dbraw/zinc/26/72/38/196267238.db2.gz MFNQEJAGXWVVNH-CZUORRHYSA-N 2 2 319.499 3.372 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000150913300 196602727 /nfs/dbraw/zinc/60/27/27/196602727.db2.gz WHYNRSSOJRZPLZ-ZBFHGGJFSA-N 2 2 308.491 3.290 20 0 DGADLP CC[C@H](C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC)[NH+](CC)CC ZINC000435998421 287459543 /nfs/dbraw/zinc/45/95/43/287459543.db2.gz VWROQZYXQRLSPW-CVEARBPZSA-N 2 2 320.481 3.077 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000291245764 222253140 /nfs/dbraw/zinc/25/31/40/222253140.db2.gz VKWLFYWSLBZAQB-MRXNPFEDSA-N 2 2 322.880 3.321 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000166953411 228266374 /nfs/dbraw/zinc/26/63/74/228266374.db2.gz OFGGXKGBCMSVII-NSHDSACASA-N 2 2 317.776 3.075 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413067576 230125825 /nfs/dbraw/zinc/12/58/25/230125825.db2.gz WSRCLJHEXQADEU-CQSZACIVSA-N 2 2 303.454 3.117 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413067576 230125830 /nfs/dbraw/zinc/12/58/30/230125830.db2.gz WSRCLJHEXQADEU-CQSZACIVSA-N 2 2 303.454 3.117 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413067576 230125836 /nfs/dbraw/zinc/12/58/36/230125836.db2.gz WSRCLJHEXQADEU-CQSZACIVSA-N 2 2 303.454 3.117 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413067576 230125840 /nfs/dbraw/zinc/12/58/40/230125840.db2.gz WSRCLJHEXQADEU-CQSZACIVSA-N 2 2 303.454 3.117 20 0 DGADLP Cc1cccc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000302235260 230191421 /nfs/dbraw/zinc/19/14/21/230191421.db2.gz IBLQMABNLWKBLS-QGZVFWFLSA-N 2 2 310.445 3.013 20 0 DGADLP Cc1cccc(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)[nH+]1 ZINC000302241874 230195467 /nfs/dbraw/zinc/19/54/67/230195467.db2.gz ONECDCMIUHMGHE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cccc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)[nH+]1 ZINC000302241874 230195473 /nfs/dbraw/zinc/19/54/73/230195473.db2.gz ONECDCMIUHMGHE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cccc(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)[nH+]1 ZINC000302241874 230195480 /nfs/dbraw/zinc/19/54/80/230195480.db2.gz ONECDCMIUHMGHE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP Cc1cccc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)[nH+]1 ZINC000302241874 230195485 /nfs/dbraw/zinc/19/54/85/230195485.db2.gz ONECDCMIUHMGHE-LJQANCHMSA-N 2 2 324.472 3.181 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c[nH+]1 ZINC000682675169 549353075 /nfs/dbraw/zinc/35/30/75/549353075.db2.gz PQMQEHUEKIVDPD-QGZVFWFLSA-N 2 2 323.444 3.035 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)c[nH+]1 ZINC000682675169 549353080 /nfs/dbraw/zinc/35/30/80/549353080.db2.gz PQMQEHUEKIVDPD-QGZVFWFLSA-N 2 2 323.444 3.035 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000346306581 264007182 /nfs/dbraw/zinc/00/71/82/264007182.db2.gz JAORBNIRWXNPNY-UHFFFAOYSA-N 2 2 301.409 3.285 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@@H+]1C ZINC000346344859 264015004 /nfs/dbraw/zinc/01/50/04/264015004.db2.gz WRTGVQCRQCPUDM-MRWWZRLISA-N 2 2 302.462 3.491 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@H+]1C ZINC000346344859 264015005 /nfs/dbraw/zinc/01/50/05/264015005.db2.gz WRTGVQCRQCPUDM-MRWWZRLISA-N 2 2 302.462 3.491 20 0 DGADLP Cc1ccccc1OCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346474722 264038533 /nfs/dbraw/zinc/03/85/33/264038533.db2.gz CTCKXBSHFUKZOQ-SFHVURJKSA-N 2 2 312.413 3.312 20 0 DGADLP Cc1ccccc1OCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346474722 264038535 /nfs/dbraw/zinc/03/85/35/264038535.db2.gz CTCKXBSHFUKZOQ-SFHVURJKSA-N 2 2 312.413 3.312 20 0 DGADLP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346474720 264038852 /nfs/dbraw/zinc/03/88/52/264038852.db2.gz CTCKXBSHFUKZOQ-GOSISDBHSA-N 2 2 312.413 3.312 20 0 DGADLP Cc1ccccc1OCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346474720 264038855 /nfs/dbraw/zinc/03/88/55/264038855.db2.gz CTCKXBSHFUKZOQ-GOSISDBHSA-N 2 2 312.413 3.312 20 0 DGADLP Cc1ccnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000346503222 264043183 /nfs/dbraw/zinc/04/31/83/264043183.db2.gz QBRVZNSKJCRPCC-HZPDHXFCSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000346517067 264045215 /nfs/dbraw/zinc/04/52/15/264045215.db2.gz DFZOYDYVVZJUNJ-IAGOWNOFSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCOCC1 ZINC000346590337 264060371 /nfs/dbraw/zinc/06/03/71/264060371.db2.gz HJWRKFLYSMBKNN-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCOCC1 ZINC000346590337 264060373 /nfs/dbraw/zinc/06/03/73/264060373.db2.gz HJWRKFLYSMBKNN-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346693892 264081176 /nfs/dbraw/zinc/08/11/76/264081176.db2.gz QKPOBHSNMFCPFS-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346693892 264081178 /nfs/dbraw/zinc/08/11/78/264081178.db2.gz QKPOBHSNMFCPFS-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795042 264098698 /nfs/dbraw/zinc/09/86/98/264098698.db2.gz MQYBMWFHJWMOMB-CMPLNLGQSA-N 2 2 309.866 3.380 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000346795042 264098701 /nfs/dbraw/zinc/09/87/01/264098701.db2.gz MQYBMWFHJWMOMB-CMPLNLGQSA-N 2 2 309.866 3.380 20 0 DGADLP CC(C)([NH3+])C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000346833672 264105812 /nfs/dbraw/zinc/10/58/12/264105812.db2.gz MHOURXHCBWNRLQ-UHFFFAOYSA-N 2 2 301.409 3.003 20 0 DGADLP CC(C)([NH3+])C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000346833672 264105815 /nfs/dbraw/zinc/10/58/15/264105815.db2.gz MHOURXHCBWNRLQ-UHFFFAOYSA-N 2 2 301.409 3.003 20 0 DGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346853505 264109362 /nfs/dbraw/zinc/10/93/62/264109362.db2.gz SSRXPXHNXVLRME-HKUYNNGSSA-N 2 2 320.477 3.194 20 0 DGADLP CCCCCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346853505 264109365 /nfs/dbraw/zinc/10/93/65/264109365.db2.gz SSRXPXHNXVLRME-HKUYNNGSSA-N 2 2 320.477 3.194 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1OCCC(C)C ZINC000346998407 264136325 /nfs/dbraw/zinc/13/63/25/264136325.db2.gz CVGKNWAVNIWWGU-INIZCTEOSA-N 2 2 306.450 3.043 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1OCCC(C)C ZINC000346998407 264136326 /nfs/dbraw/zinc/13/63/26/264136326.db2.gz CVGKNWAVNIWWGU-INIZCTEOSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@H]1C[NH3+] ZINC000347004512 264138360 /nfs/dbraw/zinc/13/83/60/264138360.db2.gz AAGNVRZBGHKTSX-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@H]1C[NH3+] ZINC000347004512 264138361 /nfs/dbraw/zinc/13/83/61/264138361.db2.gz AAGNVRZBGHKTSX-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000347039742 264146125 /nfs/dbraw/zinc/14/61/25/264146125.db2.gz WRGGHWSGHGCETK-QGZVFWFLSA-N 2 2 317.477 3.015 20 0 DGADLP COc1nc(C)cc(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000347039742 264146127 /nfs/dbraw/zinc/14/61/27/264146127.db2.gz WRGGHWSGHGCETK-QGZVFWFLSA-N 2 2 317.477 3.015 20 0 DGADLP CCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000347050698 264147718 /nfs/dbraw/zinc/14/77/18/264147718.db2.gz RCJRLRKIVJNTQK-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000347050698 264147720 /nfs/dbraw/zinc/14/77/20/264147720.db2.gz RCJRLRKIVJNTQK-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000347147917 264165820 /nfs/dbraw/zinc/16/58/20/264165820.db2.gz ZBDAAFWKGQOHJD-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000347147917 264165822 /nfs/dbraw/zinc/16/58/22/264165822.db2.gz ZBDAAFWKGQOHJD-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347178095 264170530 /nfs/dbraw/zinc/17/05/30/264170530.db2.gz SEMXZZSQVWVKME-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000347178095 264170532 /nfs/dbraw/zinc/17/05/32/264170532.db2.gz SEMXZZSQVWVKME-GFCCVEGCSA-N 2 2 307.488 3.303 20 0 DGADLP CCCCOc1cc(C[NH+]2CCC([NH2+]C)CC2)ccc1OC ZINC000347230846 264180006 /nfs/dbraw/zinc/18/00/06/264180006.db2.gz XWXUXZCBYCNWTJ-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP C[N@H+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000347259254 264184543 /nfs/dbraw/zinc/18/45/43/264184543.db2.gz YJDASOZNIARNEJ-ZJOUEHCJSA-N 2 2 321.468 3.346 20 0 DGADLP C[N@@H+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000347259254 264184545 /nfs/dbraw/zinc/18/45/45/264184545.db2.gz YJDASOZNIARNEJ-ZJOUEHCJSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000347259254 264184547 /nfs/dbraw/zinc/18/45/47/264184547.db2.gz YJDASOZNIARNEJ-ZJOUEHCJSA-N 2 2 321.468 3.346 20 0 DGADLP C[NH+](C[C@@H]1Cc2ccccc21)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000347259254 264184548 /nfs/dbraw/zinc/18/45/48/264184548.db2.gz YJDASOZNIARNEJ-ZJOUEHCJSA-N 2 2 321.468 3.346 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1CSCCc2ccccc21)[NH+]1CCCC1 ZINC000347926914 264307646 /nfs/dbraw/zinc/30/76/46/264307646.db2.gz TVYJHHPMAYMEKZ-WMZOPIPTSA-N 2 2 304.503 3.481 20 0 DGADLP COCC[N@H+](C)CC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000348004637 264322364 /nfs/dbraw/zinc/32/23/64/264322364.db2.gz NWXZLVBQHNYUFN-UHFFFAOYSA-N 2 2 304.478 3.128 20 0 DGADLP COCC[N@@H+](C)CC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000348004637 264322366 /nfs/dbraw/zinc/32/23/66/264322366.db2.gz NWXZLVBQHNYUFN-UHFFFAOYSA-N 2 2 304.478 3.128 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000348044787 264327932 /nfs/dbraw/zinc/32/79/32/264327932.db2.gz PXRUMPUKUQBPQS-GOSISDBHSA-N 2 2 302.462 3.153 20 0 DGADLP COC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc(Cl)c1F ZINC000348078957 264335824 /nfs/dbraw/zinc/33/58/24/264335824.db2.gz GARNXFHSQCJAFB-HNNXBMFYSA-N 2 2 316.848 3.487 20 0 DGADLP COC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(Cl)c1F ZINC000348078957 264335826 /nfs/dbraw/zinc/33/58/26/264335826.db2.gz GARNXFHSQCJAFB-HNNXBMFYSA-N 2 2 316.848 3.487 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1F ZINC000348099628 264340401 /nfs/dbraw/zinc/34/04/01/264340401.db2.gz CCGJGAKTOGEIIU-ZOWXZIJZSA-N 2 2 314.832 3.239 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1F ZINC000348099628 264340402 /nfs/dbraw/zinc/34/04/02/264340402.db2.gz CCGJGAKTOGEIIU-ZOWXZIJZSA-N 2 2 314.832 3.239 20 0 DGADLP COC1(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000348171804 264356872 /nfs/dbraw/zinc/35/68/72/264356872.db2.gz HTKLGOZPFIGWFD-UHFFFAOYSA-N 2 2 313.445 3.370 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1nn(C)c2ccccc12 ZINC000348188602 264360719 /nfs/dbraw/zinc/36/07/19/264360719.db2.gz SWWNTYMKENQYEB-UHFFFAOYSA-N 2 2 308.429 3.042 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348219814 264367806 /nfs/dbraw/zinc/36/78/06/264367806.db2.gz DSFAWTCNGWHYCE-NJAFHUGGSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348219814 264367808 /nfs/dbraw/zinc/36/78/08/264367808.db2.gz DSFAWTCNGWHYCE-NJAFHUGGSA-N 2 2 304.503 3.240 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348227689 264369747 /nfs/dbraw/zinc/36/97/47/264369747.db2.gz FAVZTJQQTDZRPF-DNVCBOLYSA-N 2 2 311.429 3.180 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348227689 264369749 /nfs/dbraw/zinc/36/97/49/264369749.db2.gz FAVZTJQQTDZRPF-DNVCBOLYSA-N 2 2 311.429 3.180 20 0 DGADLP C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253692 264375597 /nfs/dbraw/zinc/37/55/97/264375597.db2.gz LGBXGSUCLLPBTB-BBRMVZONSA-N 2 2 316.474 3.183 20 0 DGADLP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253692 264375598 /nfs/dbraw/zinc/37/55/98/264375598.db2.gz LGBXGSUCLLPBTB-BBRMVZONSA-N 2 2 316.474 3.183 20 0 DGADLP CCc1cccc(OCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000348254836 264375870 /nfs/dbraw/zinc/37/58/70/264375870.db2.gz GEVPTPSDWNAJDK-QFBILLFUSA-N 2 2 313.445 3.407 20 0 DGADLP CCc1cccc(OCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000348254836 264375871 /nfs/dbraw/zinc/37/58/71/264375871.db2.gz GEVPTPSDWNAJDK-QFBILLFUSA-N 2 2 313.445 3.407 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348285805 264382817 /nfs/dbraw/zinc/38/28/17/264382817.db2.gz WYBBKOSCEXEVND-GUDVDZBRSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348285805 264382818 /nfs/dbraw/zinc/38/28/18/264382818.db2.gz WYBBKOSCEXEVND-GUDVDZBRSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000348302643 264385285 /nfs/dbraw/zinc/38/52/85/264385285.db2.gz CPVPXNGVXAPBAF-CGTJXYLNSA-N 2 2 311.429 3.108 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000348306649 264386424 /nfs/dbraw/zinc/38/64/24/264386424.db2.gz ZCJSAGLMKMMESX-ZIAGYGMSSA-N 2 2 314.424 3.268 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000348333907 264392212 /nfs/dbraw/zinc/39/22/12/264392212.db2.gz CQFZDDFZUMKWRK-INIZCTEOSA-N 2 2 322.811 3.438 20 0 DGADLP CC[C@@H]1CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000348374996 264398734 /nfs/dbraw/zinc/39/87/34/264398734.db2.gz GWMMSUYODKMGJV-RHSMWYFYSA-N 2 2 302.466 3.213 20 0 DGADLP Cc1ccn2c(CN3CCC([NH+]4CCCCC4)CC3)c[nH+]c2c1 ZINC000349820105 264553477 /nfs/dbraw/zinc/55/34/77/264553477.db2.gz SVROVSRZRCGIPZ-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CCC[C@H]([NH+]4CCCC4)C3)n2c1 ZINC000352318428 265001292 /nfs/dbraw/zinc/00/12/92/265001292.db2.gz AWMXTOOQANMCDB-HNNXBMFYSA-N 2 2 318.852 3.048 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000352347732 265011451 /nfs/dbraw/zinc/01/14/51/265011451.db2.gz XPPRDEKDJCZHHP-CHWSQXEVSA-N 2 2 316.474 3.371 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000352347732 265011453 /nfs/dbraw/zinc/01/14/53/265011453.db2.gz XPPRDEKDJCZHHP-CHWSQXEVSA-N 2 2 316.474 3.371 20 0 DGADLP CO[C@H](C)c1nc(C[N@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352508922 265074117 /nfs/dbraw/zinc/07/41/17/265074117.db2.gz IMGOHMOKKTWVOP-CYBMUJFWSA-N 2 2 311.495 3.192 20 0 DGADLP CO[C@H](C)c1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352508922 265074120 /nfs/dbraw/zinc/07/41/20/265074120.db2.gz IMGOHMOKKTWVOP-CYBMUJFWSA-N 2 2 311.495 3.192 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000352533974 265080767 /nfs/dbraw/zinc/08/07/67/265080767.db2.gz BTTKTVLDOUMIPR-ZDUSSCGKSA-N 2 2 304.381 3.342 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000352533974 265080770 /nfs/dbraw/zinc/08/07/70/265080770.db2.gz BTTKTVLDOUMIPR-ZDUSSCGKSA-N 2 2 304.381 3.342 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541448 265083151 /nfs/dbraw/zinc/08/31/51/265083151.db2.gz YABHOZAXUSJMLK-HNNXBMFYSA-N 2 2 314.351 3.161 20 0 DGADLP FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541448 265083155 /nfs/dbraw/zinc/08/31/55/265083155.db2.gz YABHOZAXUSJMLK-HNNXBMFYSA-N 2 2 314.351 3.161 20 0 DGADLP C[C@H](C[NH2+]C1CC(c2ccccc2Cl)C1)C[NH+]1CCOCC1 ZINC000352604482 265101210 /nfs/dbraw/zinc/10/12/10/265101210.db2.gz YAUDDYZLALRKRS-QQFBHYJXSA-N 2 2 322.880 3.144 20 0 DGADLP CCCNc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352703405 265134418 /nfs/dbraw/zinc/13/44/18/265134418.db2.gz DWOJMARCQJADOT-UHFFFAOYSA-N 2 2 318.490 3.316 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3c(O)cccc32)s1 ZINC000352706665 265135362 /nfs/dbraw/zinc/13/53/62/265135362.db2.gz PKCICLSWWZYWFN-HNNXBMFYSA-N 2 2 317.458 3.078 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000352735780 265145096 /nfs/dbraw/zinc/14/50/96/265145096.db2.gz IXDVLELSOPHMJN-OAHLLOKOSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749669 265151235 /nfs/dbraw/zinc/15/12/35/265151235.db2.gz NQXWNEJSMVWFHP-SJCJKPOMSA-N 2 2 301.459 3.228 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[NH+]1CCCCC1 ZINC000352755584 265154959 /nfs/dbraw/zinc/15/49/59/265154959.db2.gz MOWQFBDSBZHYAI-VKAVYKQESA-N 2 2 302.462 3.312 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352814540 265179436 /nfs/dbraw/zinc/17/94/36/265179436.db2.gz INEWIHYFWHKACO-RHSMWYFYSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352814540 265179439 /nfs/dbraw/zinc/17/94/39/265179439.db2.gz INEWIHYFWHKACO-RHSMWYFYSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352814540 265179444 /nfs/dbraw/zinc/17/94/44/265179444.db2.gz INEWIHYFWHKACO-RHSMWYFYSA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352814540 265179448 /nfs/dbraw/zinc/17/94/48/265179448.db2.gz INEWIHYFWHKACO-RHSMWYFYSA-N 2 2 304.482 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000352838326 265190888 /nfs/dbraw/zinc/19/08/88/265190888.db2.gz MGYHOFKAJBSSIW-MFKMUULPSA-N 2 2 314.351 3.126 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000352838326 265190891 /nfs/dbraw/zinc/19/08/91/265190891.db2.gz MGYHOFKAJBSSIW-MFKMUULPSA-N 2 2 314.351 3.126 20 0 DGADLP Cc1[nH+]ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1Cl ZINC000352848899 265196682 /nfs/dbraw/zinc/19/66/82/265196682.db2.gz MGZOFRXFGZYFIT-CQSZACIVSA-N 2 2 316.836 3.322 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352853560 265198459 /nfs/dbraw/zinc/19/84/59/265198459.db2.gz OEYJHMUXVUXLIN-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP Fc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ncccc12 ZINC000352868486 265208432 /nfs/dbraw/zinc/20/84/32/265208432.db2.gz SMBUPEUUGGYSFY-UHFFFAOYSA-N 2 2 310.376 3.477 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931197 265235502 /nfs/dbraw/zinc/23/55/02/265235502.db2.gz NCGIPODRFCYKEA-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931197 265235507 /nfs/dbraw/zinc/23/55/07/265235507.db2.gz NCGIPODRFCYKEA-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931197 265235511 /nfs/dbraw/zinc/23/55/11/265235511.db2.gz NCGIPODRFCYKEA-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@H]2C1 ZINC000352931197 265235514 /nfs/dbraw/zinc/23/55/14/265235514.db2.gz NCGIPODRFCYKEA-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP Cc1cccc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000352939650 265239020 /nfs/dbraw/zinc/23/90/20/265239020.db2.gz ARIMAOOVNKBVSF-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000352939650 265239026 /nfs/dbraw/zinc/23/90/26/265239026.db2.gz ARIMAOOVNKBVSF-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000352939652 265239420 /nfs/dbraw/zinc/23/94/20/265239420.db2.gz ARIMAOOVNKBVSF-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000352939652 265239423 /nfs/dbraw/zinc/23/94/23/265239423.db2.gz ARIMAOOVNKBVSF-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1CNCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353114551 265302061 /nfs/dbraw/zinc/30/20/61/265302061.db2.gz CEQXBZOLEHDJKP-GOSISDBHSA-N 2 2 312.461 3.145 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1CNCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353114551 265302065 /nfs/dbraw/zinc/30/20/65/265302065.db2.gz CEQXBZOLEHDJKP-GOSISDBHSA-N 2 2 312.461 3.145 20 0 DGADLP COc1cccc(Cl)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152836 265320662 /nfs/dbraw/zinc/32/06/62/265320662.db2.gz JBNTYYWQHRJMCI-PBWFPOADSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353152836 265320663 /nfs/dbraw/zinc/32/06/63/265320663.db2.gz JBNTYYWQHRJMCI-PBWFPOADSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cccc(Cl)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152836 265320665 /nfs/dbraw/zinc/32/06/65/265320665.db2.gz JBNTYYWQHRJMCI-PBWFPOADSA-N 2 2 308.853 3.406 20 0 DGADLP COc1cccc(Cl)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353152836 265320669 /nfs/dbraw/zinc/32/06/69/265320669.db2.gz JBNTYYWQHRJMCI-PBWFPOADSA-N 2 2 308.853 3.406 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)C1 ZINC000353158062 265322275 /nfs/dbraw/zinc/32/22/75/265322275.db2.gz VLUWFRCUVSQJFT-NVXWUHKLSA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)C1 ZINC000353158062 265322277 /nfs/dbraw/zinc/32/22/77/265322277.db2.gz VLUWFRCUVSQJFT-NVXWUHKLSA-N 2 2 302.462 3.047 20 0 DGADLP c1cc2ccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)nc2[nH]1 ZINC000353215485 265346357 /nfs/dbraw/zinc/34/63/57/265346357.db2.gz FBEATBUFIVHQJL-UHFFFAOYSA-N 2 2 309.398 3.100 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353237235 265357403 /nfs/dbraw/zinc/35/74/03/265357403.db2.gz SIDPPPJHWMAJJN-FZKQIMNGSA-N 2 2 300.446 3.244 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000353237235 265357405 /nfs/dbraw/zinc/35/74/05/265357405.db2.gz SIDPPPJHWMAJJN-FZKQIMNGSA-N 2 2 300.446 3.244 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000353273084 265370527 /nfs/dbraw/zinc/37/05/27/265370527.db2.gz GUYOKDQEFPRZLK-RBSFLKMASA-N 2 2 318.452 3.289 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c1 ZINC000355368830 266053768 /nfs/dbraw/zinc/05/37/68/266053768.db2.gz SPRSEWLSBNGSJJ-LJQANCHMSA-N 2 2 323.440 3.290 20 0 DGADLP Cc1nc(N2CC[NH+](C[C@H](C)CCc3ccccc3)CC2)cc[nH+]1 ZINC000355375374 266054831 /nfs/dbraw/zinc/05/48/31/266054831.db2.gz XCDMTEOKXRUTBM-QGZVFWFLSA-N 2 2 324.472 3.176 20 0 DGADLP Cc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cn2cc[nH+]c12 ZINC000355378934 266056045 /nfs/dbraw/zinc/05/60/45/266056045.db2.gz CJTRHROKNAZKHT-UHFFFAOYSA-N 2 2 317.352 3.081 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000355553885 266112727 /nfs/dbraw/zinc/11/27/27/266112727.db2.gz IQIWXLPOEHRYQB-MJGOQNOKSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000355553885 266112728 /nfs/dbraw/zinc/11/27/28/266112728.db2.gz IQIWXLPOEHRYQB-MJGOQNOKSA-N 2 2 302.462 3.010 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000356276606 266340794 /nfs/dbraw/zinc/34/07/94/266340794.db2.gz IXKQOUSBIDPGES-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[N@H+]1C ZINC000356276606 266340796 /nfs/dbraw/zinc/34/07/96/266340796.db2.gz IXKQOUSBIDPGES-ZFWWWQNUSA-N 2 2 301.459 3.382 20 0 DGADLP CCCCc1cc(NCC2(SC)CC[NH+](C)CC2)nc[nH+]1 ZINC000601166885 425052192 /nfs/dbraw/zinc/05/21/92/425052192.db2.gz WERKSKNMDSBZIP-UHFFFAOYSA-N 2 2 308.495 3.059 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000270335440 432234189 /nfs/dbraw/zinc/23/41/89/432234189.db2.gz MPZZLXOGDPFIEV-SFHVURJKSA-N 2 2 320.440 3.447 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1cccnc1 ZINC000270335440 432234193 /nfs/dbraw/zinc/23/41/93/432234193.db2.gz MPZZLXOGDPFIEV-SFHVURJKSA-N 2 2 320.440 3.447 20 0 DGADLP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000270469917 432248285 /nfs/dbraw/zinc/24/82/85/432248285.db2.gz NBCBVGDESGMEDB-IBGZPJMESA-N 3 2 324.472 3.036 20 0 DGADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000270469917 432248290 /nfs/dbraw/zinc/24/82/90/432248290.db2.gz NBCBVGDESGMEDB-IBGZPJMESA-N 3 2 324.472 3.036 20 0 DGADLP Cc1ccc(C(=O)CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000359870158 271004758 /nfs/dbraw/zinc/00/47/58/271004758.db2.gz DVECLJACEYJZRH-SFHVURJKSA-N 2 2 302.462 3.374 20 0 DGADLP Cc1ccc(C(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000359870158 271004761 /nfs/dbraw/zinc/00/47/61/271004761.db2.gz DVECLJACEYJZRH-SFHVURJKSA-N 2 2 302.462 3.374 20 0 DGADLP Cc1ccc(C(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000359870158 271004763 /nfs/dbraw/zinc/00/47/63/271004763.db2.gz DVECLJACEYJZRH-SFHVURJKSA-N 2 2 302.462 3.374 20 0 DGADLP Cc1ccc(C(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000359870158 271004766 /nfs/dbraw/zinc/00/47/66/271004766.db2.gz DVECLJACEYJZRH-SFHVURJKSA-N 2 2 302.462 3.374 20 0 DGADLP CCOC1CC(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)C1 ZINC000367554600 271042775 /nfs/dbraw/zinc/04/27/75/271042775.db2.gz VRPIGWNEPCNOHS-CGZBRXJRSA-N 2 2 303.450 3.081 20 0 DGADLP CCOC1CC(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)C1 ZINC000367554600 271042776 /nfs/dbraw/zinc/04/27/76/271042776.db2.gz VRPIGWNEPCNOHS-CGZBRXJRSA-N 2 2 303.450 3.081 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(F)nc2)CC1 ZINC000367658825 271060177 /nfs/dbraw/zinc/06/01/77/271060177.db2.gz QNFKNSJGFTVANN-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(F)nc2)CC1 ZINC000367658825 271060179 /nfs/dbraw/zinc/06/01/79/271060179.db2.gz QNFKNSJGFTVANN-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000367696391 271066485 /nfs/dbraw/zinc/06/64/85/271066485.db2.gz AFEHBCGKFNSENA-LBPRGKRZSA-N 2 2 304.463 3.164 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000367696391 271066488 /nfs/dbraw/zinc/06/64/88/271066488.db2.gz AFEHBCGKFNSENA-LBPRGKRZSA-N 2 2 304.463 3.164 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367705892 271068070 /nfs/dbraw/zinc/06/80/70/271068070.db2.gz RLBLDAHDNLIHHS-INIZCTEOSA-N 2 2 300.450 3.257 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367705892 271068071 /nfs/dbraw/zinc/06/80/71/271068071.db2.gz RLBLDAHDNLIHHS-INIZCTEOSA-N 2 2 300.450 3.257 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000368016281 271113774 /nfs/dbraw/zinc/11/37/74/271113774.db2.gz KGIMUUATEVATNJ-MIYHGESISA-N 2 2 306.400 3.426 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000368016281 271113777 /nfs/dbraw/zinc/11/37/77/271113777.db2.gz KGIMUUATEVATNJ-MIYHGESISA-N 2 2 306.400 3.426 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000368029503 271118023 /nfs/dbraw/zinc/11/80/23/271118023.db2.gz JMRRYOQEYNQXHB-QFBILLFUSA-N 2 2 323.440 3.106 20 0 DGADLP C[C@H]1[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC12CCOCC2 ZINC000368813404 271210746 /nfs/dbraw/zinc/21/07/46/271210746.db2.gz GFHFKXLGHKLYLF-MRXNPFEDSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@H]1[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC12CCOCC2 ZINC000368813404 271210751 /nfs/dbraw/zinc/21/07/51/271210751.db2.gz GFHFKXLGHKLYLF-MRXNPFEDSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232590 271345483 /nfs/dbraw/zinc/34/54/83/271345483.db2.gz YALKOPATHWSEHE-QAPCUYQASA-N 2 2 319.412 3.245 20 0 DGADLP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370232590 271345485 /nfs/dbraw/zinc/34/54/85/271345485.db2.gz YALKOPATHWSEHE-QAPCUYQASA-N 2 2 319.412 3.245 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000370634994 271375957 /nfs/dbraw/zinc/37/59/57/271375957.db2.gz NKCLMAGAUMTLDH-OAGGEKHMSA-N 2 2 308.491 3.288 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000370634994 271375960 /nfs/dbraw/zinc/37/59/60/271375960.db2.gz NKCLMAGAUMTLDH-OAGGEKHMSA-N 2 2 308.491 3.288 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000247886378 432252856 /nfs/dbraw/zinc/25/28/56/432252856.db2.gz DCXXZZCIIBTAAC-YLJYHZDGSA-N 2 2 309.457 3.124 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000247886378 432252858 /nfs/dbraw/zinc/25/28/58/432252858.db2.gz DCXXZZCIIBTAAC-YLJYHZDGSA-N 2 2 309.457 3.124 20 0 DGADLP Clc1ccccc1OC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183062753 432254279 /nfs/dbraw/zinc/25/42/79/432254279.db2.gz LNHYWOKIYVOTAN-UHFFFAOYSA-N 2 2 319.836 3.470 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921317 432255169 /nfs/dbraw/zinc/25/51/69/432255169.db2.gz BFGZBMHTBAJWHO-UONOGXRCSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921317 432255173 /nfs/dbraw/zinc/25/51/73/432255173.db2.gz BFGZBMHTBAJWHO-UONOGXRCSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921317 432255177 /nfs/dbraw/zinc/25/51/77/432255177.db2.gz BFGZBMHTBAJWHO-UONOGXRCSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)CC[C@H]21 ZINC000247921317 432255179 /nfs/dbraw/zinc/25/51/79/432255179.db2.gz BFGZBMHTBAJWHO-UONOGXRCSA-N 2 2 317.458 3.319 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000414844636 273563661 /nfs/dbraw/zinc/56/36/61/273563661.db2.gz LAHRWOYJOFWYDM-KRWDZBQOSA-N 2 2 322.456 3.486 20 0 DGADLP CCOCC[NH+]1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000093301160 273697369 /nfs/dbraw/zinc/69/73/69/273697369.db2.gz QOVKERNQGQTNOA-UHFFFAOYSA-N 2 2 301.434 3.272 20 0 DGADLP CO[C@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)C1CC1 ZINC000425484697 274077164 /nfs/dbraw/zinc/07/71/64/274077164.db2.gz SSIYCQJJOZOZIN-LJQANCHMSA-N 2 2 313.445 3.407 20 0 DGADLP CSC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000154307638 274174174 /nfs/dbraw/zinc/17/41/74/274174174.db2.gz SMPXVHCSXNFUKZ-ZBFHGGJFSA-N 2 2 307.507 3.023 20 0 DGADLP CSC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000154307638 274174175 /nfs/dbraw/zinc/17/41/75/274174175.db2.gz SMPXVHCSXNFUKZ-ZBFHGGJFSA-N 2 2 307.507 3.023 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC000423367480 274216907 /nfs/dbraw/zinc/21/69/07/274216907.db2.gz MMYXQPMHFRTBHR-MADCSZMMSA-N 2 2 303.631 3.027 20 0 DGADLP Cc1cc([C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C2CC2)ccc1F ZINC000414361547 274722455 /nfs/dbraw/zinc/72/24/55/274722455.db2.gz CQNWPKZEGNWAFT-QGZVFWFLSA-N 2 2 316.424 3.175 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000333124443 274751301 /nfs/dbraw/zinc/75/13/01/274751301.db2.gz ISPJLHUZTQNEQV-DOTOQJQBSA-N 2 2 316.449 3.084 20 0 DGADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423183253 275370531 /nfs/dbraw/zinc/37/05/31/275370531.db2.gz HMNZXZRNBDJJFA-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427857409 275672201 /nfs/dbraw/zinc/67/22/01/275672201.db2.gz QBTDQTFTJBJSDN-DLBZAZTESA-N 2 2 301.409 3.194 20 0 DGADLP Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)nc(C2CC2)[nH+]1 ZINC000523874676 429617326 /nfs/dbraw/zinc/61/73/26/429617326.db2.gz SVQMQWZWVRTWLT-UHFFFAOYSA-N 2 2 305.385 3.460 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068950 276175048 /nfs/dbraw/zinc/17/50/48/276175048.db2.gz WBHPGZFONZQBSL-KDOFPFPSSA-N 2 2 302.462 3.492 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000474068950 276175050 /nfs/dbraw/zinc/17/50/50/276175050.db2.gz WBHPGZFONZQBSL-KDOFPFPSSA-N 2 2 302.462 3.492 20 0 DGADLP CC[N@@H+]1CCO[C@H](CNc2cc(C)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000343320039 276212087 /nfs/dbraw/zinc/21/20/87/276212087.db2.gz OJVFQDYYWXZIBC-MJGOQNOKSA-N 2 2 311.429 3.264 20 0 DGADLP CC[N@H+]1CCO[C@H](CNc2cc(C)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000343320039 276212088 /nfs/dbraw/zinc/21/20/88/276212088.db2.gz OJVFQDYYWXZIBC-MJGOQNOKSA-N 2 2 311.429 3.264 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000474593510 276462300 /nfs/dbraw/zinc/46/23/00/276462300.db2.gz BVDOCYWHTJLYFH-IPMKNSEASA-N 2 2 304.478 3.393 20 0 DGADLP COCCCNc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)c[nH+]1 ZINC000629709389 429961928 /nfs/dbraw/zinc/96/19/28/429961928.db2.gz UZOZLKKTCJUOOD-UHFFFAOYSA-N 2 2 317.408 3.398 20 0 DGADLP COCCCNc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c[nH+]1 ZINC000629741585 429962681 /nfs/dbraw/zinc/96/26/81/429962681.db2.gz BKDGZXBUSNYEGR-UHFFFAOYSA-N 2 2 322.412 3.442 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2cccc(Br)c21 ZINC000423245587 278026089 /nfs/dbraw/zinc/02/60/89/278026089.db2.gz YRJIKLBIZFELFN-SUNKGSAMSA-N 2 2 309.251 3.339 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422750624 278034376 /nfs/dbraw/zinc/03/43/76/278034376.db2.gz AEEHWEBOZZBSLR-QFBILLFUSA-N 2 2 304.478 3.099 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423375195 278204596 /nfs/dbraw/zinc/20/45/96/278204596.db2.gz CYDKEDQNAYOYID-DYVFJYSZSA-N 2 2 303.450 3.074 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423375194 278204632 /nfs/dbraw/zinc/20/46/32/278204632.db2.gz CYDKEDQNAYOYID-CXAGYDPISA-N 2 2 303.450 3.074 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423063223 278316078 /nfs/dbraw/zinc/31/60/78/278316078.db2.gz WAMPUSSOAOIGFP-BVGQSLNGSA-N 2 2 314.404 3.197 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC2(C)C)[NH+]2CCCC2)cc1 ZINC000340219670 278856944 /nfs/dbraw/zinc/85/69/44/278856944.db2.gz XWOBBLIVRZEECL-ZWKOTPCHSA-N 2 2 302.462 3.289 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800873 431143007 /nfs/dbraw/zinc/14/30/07/431143007.db2.gz DOIKXRKUXBJIOS-SJORKVTESA-N 2 2 309.885 3.017 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800873 431143012 /nfs/dbraw/zinc/14/30/12/431143012.db2.gz DOIKXRKUXBJIOS-SJORKVTESA-N 2 2 309.885 3.017 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000111241074 431200760 /nfs/dbraw/zinc/20/07/60/431200760.db2.gz LFUDETAHZYRERU-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000111241074 431200766 /nfs/dbraw/zinc/20/07/66/431200766.db2.gz LFUDETAHZYRERU-UHFFFAOYSA-N 2 2 320.868 3.294 20 0 DGADLP C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108943026 431159181 /nfs/dbraw/zinc/15/91/81/431159181.db2.gz QAKUGBMBPXRRRJ-GFCCVEGCSA-N 2 2 313.323 3.102 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000069725628 431215887 /nfs/dbraw/zinc/21/58/87/431215887.db2.gz VAVDNEPHWQVILM-GXSJLCMTSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000069725628 431215894 /nfs/dbraw/zinc/21/58/94/431215894.db2.gz VAVDNEPHWQVILM-GXSJLCMTSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000070143194 431241183 /nfs/dbraw/zinc/24/11/83/431241183.db2.gz CXXRIWYQNLQSKL-OAHLLOKOSA-N 2 2 306.841 3.380 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000071145195 431273183 /nfs/dbraw/zinc/27/31/83/431273183.db2.gz JPHLJBLZLITLHP-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000071145195 431273188 /nfs/dbraw/zinc/27/31/88/431273188.db2.gz JPHLJBLZLITLHP-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000113512238 431351940 /nfs/dbraw/zinc/35/19/40/431351940.db2.gz MHMTVMFTJULGTI-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000113512238 431351948 /nfs/dbraw/zinc/35/19/48/431351948.db2.gz MHMTVMFTJULGTI-CYBMUJFWSA-N 2 2 319.836 3.379 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000113514533 431353105 /nfs/dbraw/zinc/35/31/05/431353105.db2.gz AVHAKLCKXBHQSE-LBPRGKRZSA-N 2 2 317.260 3.256 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000113514533 431353114 /nfs/dbraw/zinc/35/31/14/431353114.db2.gz AVHAKLCKXBHQSE-LBPRGKRZSA-N 2 2 317.260 3.256 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)cs2)C1 ZINC000072858550 431353343 /nfs/dbraw/zinc/35/33/43/431353343.db2.gz RWJGMLQTDUWPMW-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)cs2)C1 ZINC000072858550 431353354 /nfs/dbraw/zinc/35/33/54/431353354.db2.gz RWJGMLQTDUWPMW-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000072858550 431353361 /nfs/dbraw/zinc/35/33/61/431353361.db2.gz RWJGMLQTDUWPMW-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000072858550 431353367 /nfs/dbraw/zinc/35/33/67/431353367.db2.gz RWJGMLQTDUWPMW-LLVKDONJSA-N 2 2 317.296 3.284 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198980 431374853 /nfs/dbraw/zinc/37/48/53/431374853.db2.gz DEQGLRQXKSYCOD-JKSUJKDBSA-N 2 2 317.477 3.021 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198980 431374858 /nfs/dbraw/zinc/37/48/58/431374858.db2.gz DEQGLRQXKSYCOD-JKSUJKDBSA-N 2 2 317.477 3.021 20 0 DGADLP CCc1noc([C@H](C)[NH2+]Cc2ccccc2C[NH+](CC)CC)n1 ZINC000114746153 431409490 /nfs/dbraw/zinc/40/94/90/431409490.db2.gz ZIHUSJVCENLYDP-AWEZNQCLSA-N 2 2 316.449 3.325 20 0 DGADLP CC[N@H+](CCc1ccccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108989 431528891 /nfs/dbraw/zinc/52/88/91/431528891.db2.gz NDNHIOAQXAWTJE-UHFFFAOYSA-N 2 2 324.472 3.258 20 0 DGADLP CC[N@@H+](CCc1ccccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108989 431528896 /nfs/dbraw/zinc/52/88/96/431528896.db2.gz NDNHIOAQXAWTJE-UHFFFAOYSA-N 2 2 324.472 3.258 20 0 DGADLP Fc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835269 431500595 /nfs/dbraw/zinc/50/05/95/431500595.db2.gz PFYBMNNMLWFNDG-MRXNPFEDSA-N 2 2 306.425 3.012 20 0 DGADLP Fc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835269 431500602 /nfs/dbraw/zinc/50/06/02/431500602.db2.gz PFYBMNNMLWFNDG-MRXNPFEDSA-N 2 2 306.425 3.012 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000309905241 280021158 /nfs/dbraw/zinc/02/11/58/280021158.db2.gz QEFISNYHAPZJES-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000309905241 280021160 /nfs/dbraw/zinc/02/11/60/280021160.db2.gz QEFISNYHAPZJES-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152838115 280025609 /nfs/dbraw/zinc/02/56/09/280025609.db2.gz NPOOGWZFLBFLTD-DJJJIMSYSA-N 2 2 313.420 3.424 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000077248781 431576620 /nfs/dbraw/zinc/57/66/20/431576620.db2.gz WQPYFEJGBLRXDP-UHFFFAOYSA-N 2 2 318.440 3.111 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000077248781 431576626 /nfs/dbraw/zinc/57/66/26/431576626.db2.gz WQPYFEJGBLRXDP-UHFFFAOYSA-N 2 2 318.440 3.111 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000119036926 431637093 /nfs/dbraw/zinc/63/70/93/431637093.db2.gz SDHHRRDWPWFWJE-SZVBFZGTSA-N 2 2 320.477 3.093 20 0 DGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc[nH+]c(C)c1)c1ccco1 ZINC000119402763 431688776 /nfs/dbraw/zinc/68/87/76/431688776.db2.gz VWABXKADFWLPCC-OAHLLOKOSA-N 2 2 316.405 3.188 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000121052592 431740148 /nfs/dbraw/zinc/74/01/48/431740148.db2.gz YBSREYRWIHZJIW-UYAOXDASSA-N 2 2 324.472 3.224 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081634109 431800460 /nfs/dbraw/zinc/80/04/60/431800460.db2.gz BTNBTIBFHPCBIV-MRXNPFEDSA-N 2 2 322.880 3.383 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccccc2Cl)C1 ZINC000081634109 431800465 /nfs/dbraw/zinc/80/04/65/431800465.db2.gz BTNBTIBFHPCBIV-MRXNPFEDSA-N 2 2 322.880 3.383 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000081634109 431800469 /nfs/dbraw/zinc/80/04/69/431800469.db2.gz BTNBTIBFHPCBIV-MRXNPFEDSA-N 2 2 322.880 3.383 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000081634109 431800474 /nfs/dbraw/zinc/80/04/74/431800474.db2.gz BTNBTIBFHPCBIV-MRXNPFEDSA-N 2 2 322.880 3.383 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000121945709 431808938 /nfs/dbraw/zinc/80/89/38/431808938.db2.gz BYOITDDJKSFHSY-CQSZACIVSA-N 2 2 304.438 3.024 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000121945709 431808940 /nfs/dbraw/zinc/80/89/40/431808940.db2.gz BYOITDDJKSFHSY-CQSZACIVSA-N 2 2 304.438 3.024 20 0 DGADLP Brc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408238 431846560 /nfs/dbraw/zinc/84/65/60/431846560.db2.gz XIDNCOXFDXXNLQ-LBPRGKRZSA-N 2 2 309.251 3.023 20 0 DGADLP Brc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408238 431846562 /nfs/dbraw/zinc/84/65/62/431846562.db2.gz XIDNCOXFDXXNLQ-LBPRGKRZSA-N 2 2 309.251 3.023 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427384 431865419 /nfs/dbraw/zinc/86/54/19/431865419.db2.gz DBUSQURYZYVVJU-RTBURBONSA-N 3 2 307.526 3.059 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427384 431865422 /nfs/dbraw/zinc/86/54/22/431865422.db2.gz DBUSQURYZYVVJU-RTBURBONSA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427384 431865424 /nfs/dbraw/zinc/86/54/24/431865424.db2.gz DBUSQURYZYVVJU-RTBURBONSA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427384 431865425 /nfs/dbraw/zinc/86/54/25/431865425.db2.gz DBUSQURYZYVVJU-RTBURBONSA-N 3 2 307.526 3.059 20 0 DGADLP FC(F)SCc1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000035015720 431822093 /nfs/dbraw/zinc/82/20/93/431822093.db2.gz XMRNFHJDZIFGOS-UHFFFAOYSA-N 2 2 304.406 3.311 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)c(C)c2)CC[C@@H]1[NH3+] ZINC000122357700 431830283 /nfs/dbraw/zinc/83/02/83/431830283.db2.gz SYSAXHGOWAVMCZ-ZFWWWQNUSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)c(C)c2)CC[C@@H]1[NH3+] ZINC000122357700 431830287 /nfs/dbraw/zinc/83/02/87/431830287.db2.gz SYSAXHGOWAVMCZ-ZFWWWQNUSA-N 2 2 311.267 3.317 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125004055 431911398 /nfs/dbraw/zinc/91/13/98/431911398.db2.gz ACJYZDPAHZMIEH-KLIQENQMSA-N 2 2 311.429 3.481 20 0 DGADLP CC[NH+]1CCC(N(C)Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000125241541 431918247 /nfs/dbraw/zinc/91/82/47/431918247.db2.gz MGDDNDQUJZAREG-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000125241541 431918249 /nfs/dbraw/zinc/91/82/49/431918249.db2.gz MGDDNDQUJZAREG-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000125241541 431918250 /nfs/dbraw/zinc/91/82/50/431918250.db2.gz MGDDNDQUJZAREG-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CCCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000125262099 431919388 /nfs/dbraw/zinc/91/93/88/431919388.db2.gz OWUNSEAJSTXQIW-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1OC ZINC000125262099 431919391 /nfs/dbraw/zinc/91/93/91/431919391.db2.gz OWUNSEAJSTXQIW-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000044529385 431875139 /nfs/dbraw/zinc/87/51/39/431875139.db2.gz RRWPLQLMYATRSJ-NSHDSACASA-N 2 2 303.233 3.043 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000044529385 431875140 /nfs/dbraw/zinc/87/51/40/431875140.db2.gz RRWPLQLMYATRSJ-NSHDSACASA-N 2 2 303.233 3.043 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(Br)c2)CC[N@@H+]1C ZINC000090721675 431894618 /nfs/dbraw/zinc/89/46/18/431894618.db2.gz KCHFFXXGJZLEOJ-ONGXEEELSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(Br)c2)CC[N@H+]1C ZINC000090721675 431894620 /nfs/dbraw/zinc/89/46/20/431894620.db2.gz KCHFFXXGJZLEOJ-ONGXEEELSA-N 2 2 303.269 3.083 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733184 431902907 /nfs/dbraw/zinc/90/29/07/431902907.db2.gz YRNJGLNNCHLKJD-HOTGVXAUSA-N 2 2 308.491 3.213 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733184 431902909 /nfs/dbraw/zinc/90/29/09/431902909.db2.gz YRNJGLNNCHLKJD-HOTGVXAUSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733184 431902911 /nfs/dbraw/zinc/90/29/11/431902911.db2.gz YRNJGLNNCHLKJD-HOTGVXAUSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000124733184 431902913 /nfs/dbraw/zinc/90/29/13/431902913.db2.gz YRNJGLNNCHLKJD-HOTGVXAUSA-N 2 2 308.491 3.213 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3ccccc3n2C)C1 ZINC000091333260 431904021 /nfs/dbraw/zinc/90/40/21/431904021.db2.gz VHFVYLFXPHSVQF-JKSUJKDBSA-N 2 2 314.477 3.344 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3ccccc3n2C)C1 ZINC000091333260 431904023 /nfs/dbraw/zinc/90/40/23/431904023.db2.gz VHFVYLFXPHSVQF-JKSUJKDBSA-N 2 2 314.477 3.344 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043183 431907224 /nfs/dbraw/zinc/90/72/24/431907224.db2.gz ZQDRKCTZDJWXFH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043183 431907226 /nfs/dbraw/zinc/90/72/26/431907226.db2.gz ZQDRKCTZDJWXFH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043183 431907228 /nfs/dbraw/zinc/90/72/28/431907228.db2.gz ZQDRKCTZDJWXFH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043183 431907229 /nfs/dbraw/zinc/90/72/29/431907229.db2.gz ZQDRKCTZDJWXFH-CJNGLKHVSA-N 2 2 308.853 3.265 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143772 431979132 /nfs/dbraw/zinc/97/91/32/431979132.db2.gz WTULDUPXTXOACK-FXAWDEMLSA-N 2 2 324.468 3.065 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143772 431979135 /nfs/dbraw/zinc/97/91/35/431979135.db2.gz WTULDUPXTXOACK-FXAWDEMLSA-N 2 2 324.468 3.065 20 0 DGADLP CC(C)[NH+](CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000125535782 431929139 /nfs/dbraw/zinc/92/91/39/431929139.db2.gz BYYPYHQPDQYZLJ-KRWDZBQOSA-N 2 2 300.450 3.208 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143770 431979932 /nfs/dbraw/zinc/97/99/32/431979932.db2.gz WTULDUPXTXOACK-PXNSSMCTSA-N 2 2 324.468 3.065 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143770 431979934 /nfs/dbraw/zinc/97/99/34/431979934.db2.gz WTULDUPXTXOACK-PXNSSMCTSA-N 2 2 324.468 3.065 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000126325865 431947018 /nfs/dbraw/zinc/94/70/18/431947018.db2.gz GYXPSLJYJJSZFD-IAGOWNOFSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000126325865 431947019 /nfs/dbraw/zinc/94/70/19/431947019.db2.gz GYXPSLJYJJSZFD-IAGOWNOFSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cn1 ZINC000126301232 431947413 /nfs/dbraw/zinc/94/74/13/431947413.db2.gz TXZLBRDUJNJCFX-GOSISDBHSA-N 2 2 322.387 3.492 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126824794 431958371 /nfs/dbraw/zinc/95/83/71/431958371.db2.gz HEAYZBVFIHAOLS-GJZGRUSLSA-N 2 2 316.474 3.101 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccn1 ZINC000126824794 431958374 /nfs/dbraw/zinc/95/83/74/431958374.db2.gz HEAYZBVFIHAOLS-GJZGRUSLSA-N 2 2 316.474 3.101 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000097058935 431959018 /nfs/dbraw/zinc/95/90/18/431959018.db2.gz FFNAYTVXEWOXAR-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000097058935 431959019 /nfs/dbraw/zinc/95/90/19/431959019.db2.gz FFNAYTVXEWOXAR-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000127844147 431982206 /nfs/dbraw/zinc/98/22/06/431982206.db2.gz PSUAWMRFRDVRJW-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000127844147 431982207 /nfs/dbraw/zinc/98/22/07/431982207.db2.gz PSUAWMRFRDVRJW-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430971979 281201163 /nfs/dbraw/zinc/20/11/63/281201163.db2.gz QMUOBXFKBYEKNQ-VYDXJSESSA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430971979 281201166 /nfs/dbraw/zinc/20/11/66/281201166.db2.gz QMUOBXFKBYEKNQ-VYDXJSESSA-N 2 2 317.477 3.115 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)Cc1ccccc1 ZINC000151732691 432272239 /nfs/dbraw/zinc/27/22/39/432272239.db2.gz HIVVCOQFCPGONU-FXAWDEMLSA-N 2 2 318.505 3.344 20 0 DGADLP OCC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000183233157 432272508 /nfs/dbraw/zinc/27/25/08/432272508.db2.gz JLUHWHHMHPRPLV-UHFFFAOYSA-N 2 2 322.880 3.057 20 0 DGADLP Cc1cccn2c(C[NH2+]C[C@](C)(O)C3CCCCC3)c[nH+]c12 ZINC000191671748 432290158 /nfs/dbraw/zinc/29/01/58/432290158.db2.gz WASCXYRKZANBCQ-SFHVURJKSA-N 2 2 301.434 3.064 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248473133 432294007 /nfs/dbraw/zinc/29/40/07/432294007.db2.gz WQYITMRFEBLMGF-RDJZCZTQSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248473133 432294013 /nfs/dbraw/zinc/29/40/13/432294013.db2.gz WQYITMRFEBLMGF-RDJZCZTQSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248473133 432294016 /nfs/dbraw/zinc/29/40/16/432294016.db2.gz WQYITMRFEBLMGF-RDJZCZTQSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)(C)OC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248473133 432294019 /nfs/dbraw/zinc/29/40/19/432294019.db2.gz WQYITMRFEBLMGF-RDJZCZTQSA-N 2 2 322.493 3.057 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415547 432262171 /nfs/dbraw/zinc/26/21/71/432262171.db2.gz CPKPMJRNDSUIHM-GOSISDBHSA-N 2 2 318.509 3.090 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415547 432262175 /nfs/dbraw/zinc/26/21/75/432262175.db2.gz CPKPMJRNDSUIHM-GOSISDBHSA-N 2 2 318.509 3.090 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415547 432262178 /nfs/dbraw/zinc/26/21/78/432262178.db2.gz CPKPMJRNDSUIHM-GOSISDBHSA-N 2 2 318.509 3.090 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191415547 432262182 /nfs/dbraw/zinc/26/21/82/432262182.db2.gz CPKPMJRNDSUIHM-GOSISDBHSA-N 2 2 318.509 3.090 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OC(F)(F)F)c1 ZINC000183186995 432267768 /nfs/dbraw/zinc/26/77/68/432267768.db2.gz CIOMHWZXZAUEAA-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OC(F)(F)F)c1 ZINC000183186995 432267771 /nfs/dbraw/zinc/26/77/71/432267771.db2.gz CIOMHWZXZAUEAA-UHFFFAOYSA-N 2 2 313.323 3.304 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000248761920 432317611 /nfs/dbraw/zinc/31/76/11/432317611.db2.gz GQNGEPRWIBNOQV-KDOFPFPSSA-N 2 2 324.428 3.032 20 0 DGADLP Cc1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000248761920 432317615 /nfs/dbraw/zinc/31/76/15/432317615.db2.gz GQNGEPRWIBNOQV-KDOFPFPSSA-N 2 2 324.428 3.032 20 0 DGADLP CCc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)CCO2)cc1 ZINC000248834088 432321485 /nfs/dbraw/zinc/32/14/85/432321485.db2.gz ZRWPDEVBNTYZRX-MOPGFXCFSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)CCO2)cc1 ZINC000248834088 432321492 /nfs/dbraw/zinc/32/14/92/432321492.db2.gz ZRWPDEVBNTYZRX-MOPGFXCFSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC000248834088 432321494 /nfs/dbraw/zinc/32/14/94/432321494.db2.gz ZRWPDEVBNTYZRX-MOPGFXCFSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)CCO2)cc1 ZINC000248834088 432321499 /nfs/dbraw/zinc/32/14/99/432321499.db2.gz ZRWPDEVBNTYZRX-MOPGFXCFSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)CCO2)cc1 ZINC000248834095 432322562 /nfs/dbraw/zinc/32/25/62/432322562.db2.gz ZRWPDEVBNTYZRX-RTBURBONSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)CCO2)cc1 ZINC000248834095 432322566 /nfs/dbraw/zinc/32/25/66/432322566.db2.gz ZRWPDEVBNTYZRX-RTBURBONSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)CCO2)cc1 ZINC000248834095 432322570 /nfs/dbraw/zinc/32/25/70/432322570.db2.gz ZRWPDEVBNTYZRX-RTBURBONSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1ccc([C@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)CCO2)cc1 ZINC000248834095 432322574 /nfs/dbraw/zinc/32/25/74/432322574.db2.gz ZRWPDEVBNTYZRX-RTBURBONSA-N 2 2 302.462 3.107 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc3)[nH+]c12 ZINC000192099594 432333868 /nfs/dbraw/zinc/33/38/68/432333868.db2.gz MPBXEMBQZZGMSO-KGLIPLIRSA-N 2 2 322.412 3.232 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccn(C)c1 ZINC000271182109 432345323 /nfs/dbraw/zinc/34/53/23/432345323.db2.gz KHLGWGRJKGNTJO-QGZVFWFLSA-N 2 2 308.429 3.348 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccn(C)c1 ZINC000271182109 432345328 /nfs/dbraw/zinc/34/53/28/432345328.db2.gz KHLGWGRJKGNTJO-QGZVFWFLSA-N 2 2 308.429 3.348 20 0 DGADLP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1 ZINC000271181055 432345352 /nfs/dbraw/zinc/34/53/52/432345352.db2.gz HLZYTQZEEQHVGS-UHFFFAOYSA-N 2 2 318.436 3.349 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000271185252 432348109 /nfs/dbraw/zinc/34/81/09/432348109.db2.gz FIWIBVZYVKAYQF-NEWSRXKRSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000271185252 432348111 /nfs/dbraw/zinc/34/81/11/432348111.db2.gz FIWIBVZYVKAYQF-NEWSRXKRSA-N 2 2 314.473 3.341 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271206673 432352481 /nfs/dbraw/zinc/35/24/81/432352481.db2.gz GKKPMAFSVVXXBC-BBRMVZONSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271206673 432352484 /nfs/dbraw/zinc/35/24/84/432352484.db2.gz GKKPMAFSVVXXBC-BBRMVZONSA-N 2 2 303.381 3.114 20 0 DGADLP CC(C)C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834927 432306503 /nfs/dbraw/zinc/30/65/03/432306503.db2.gz VMGQOOSVPNXYKH-HKUYNNGSSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834927 432306506 /nfs/dbraw/zinc/30/65/06/432306506.db2.gz VMGQOOSVPNXYKH-HKUYNNGSSA-N 2 2 304.478 3.302 20 0 DGADLP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000248651380 432309963 /nfs/dbraw/zinc/30/99/63/432309963.db2.gz MXQITXWJAYNVGO-NVXWUHKLSA-N 2 2 319.518 3.167 20 0 DGADLP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000248651380 432309967 /nfs/dbraw/zinc/30/99/67/432309967.db2.gz MXQITXWJAYNVGO-NVXWUHKLSA-N 2 2 319.518 3.167 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000252704018 432386032 /nfs/dbraw/zinc/38/60/32/432386032.db2.gz LVGSMZVBNMBKLN-CABCVRRESA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000252704018 432386035 /nfs/dbraw/zinc/38/60/35/432386035.db2.gz LVGSMZVBNMBKLN-CABCVRRESA-N 2 2 323.278 3.474 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000251520208 432368722 /nfs/dbraw/zinc/36/87/22/432368722.db2.gz KTKVZZXLNDURRW-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000251520208 432368728 /nfs/dbraw/zinc/36/87/28/432368728.db2.gz KTKVZZXLNDURRW-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000261559773 432430403 /nfs/dbraw/zinc/43/04/03/432430403.db2.gz UAZUHELJQPJMFL-ZDUSSCGKSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000261559771 432431558 /nfs/dbraw/zinc/43/15/58/432431558.db2.gz UAZUHELJQPJMFL-CYBMUJFWSA-N 2 2 303.219 3.051 20 0 DGADLP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000184788266 432432683 /nfs/dbraw/zinc/43/26/83/432432683.db2.gz BKJHZPVADDHZLN-LJQANCHMSA-N 2 2 321.424 3.107 20 0 DGADLP OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000184788266 432432688 /nfs/dbraw/zinc/43/26/88/432432688.db2.gz BKJHZPVADDHZLN-LJQANCHMSA-N 2 2 321.424 3.107 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]12 ZINC000261648236 432436852 /nfs/dbraw/zinc/43/68/52/432436852.db2.gz DALQMKPVALYFIX-ZLKJLUDKSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]12 ZINC000261648236 432436855 /nfs/dbraw/zinc/43/68/55/432436855.db2.gz DALQMKPVALYFIX-ZLKJLUDKSA-N 2 2 305.472 3.041 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC000153753439 432439003 /nfs/dbraw/zinc/43/90/03/432439003.db2.gz JNBAOYJUBLLSCF-SFHVURJKSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000153753439 432439006 /nfs/dbraw/zinc/43/90/06/432439006.db2.gz JNBAOYJUBLLSCF-SFHVURJKSA-N 2 2 313.489 3.262 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261731661 432443736 /nfs/dbraw/zinc/44/37/36/432443736.db2.gz RFLRPRQLBOUMPE-MLGOLLRUSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261731661 432443740 /nfs/dbraw/zinc/44/37/40/432443740.db2.gz RFLRPRQLBOUMPE-MLGOLLRUSA-N 2 2 301.821 3.072 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000153799098 432445705 /nfs/dbraw/zinc/44/57/05/432445705.db2.gz VRYYHGQRFANZNK-IBGZPJMESA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000153799098 432445709 /nfs/dbraw/zinc/44/57/09/432445709.db2.gz VRYYHGQRFANZNK-IBGZPJMESA-N 2 2 301.478 3.334 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000261755549 432449399 /nfs/dbraw/zinc/44/93/99/432449399.db2.gz QOORXFXLYGZMIF-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000261755549 432449403 /nfs/dbraw/zinc/44/94/03/432449403.db2.gz QOORXFXLYGZMIF-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153903889 432453221 /nfs/dbraw/zinc/45/32/21/432453221.db2.gz MVHNRYJUZRCJOX-KYJSFNMBSA-N 2 2 302.462 3.101 20 0 DGADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)on1 ZINC000192830825 432418625 /nfs/dbraw/zinc/41/86/25/432418625.db2.gz SBCBDSPPYXKUHY-AYHJJNSGSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)on1 ZINC000192830825 432418628 /nfs/dbraw/zinc/41/86/28/432418628.db2.gz SBCBDSPPYXKUHY-AYHJJNSGSA-N 2 2 311.429 3.268 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccnn1C ZINC000192872691 432423819 /nfs/dbraw/zinc/42/38/19/432423819.db2.gz YGYWXRPROCQAOF-CVEARBPZSA-N 2 2 312.461 3.296 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccnn1C ZINC000192862955 432424114 /nfs/dbraw/zinc/42/41/14/432424114.db2.gz YFHBYNJOOQCSBJ-GJZGRUSLSA-N 2 2 300.450 3.200 20 0 DGADLP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262181432 432477544 /nfs/dbraw/zinc/47/75/44/432477544.db2.gz ITCSWSMZOWAXDQ-INIZCTEOSA-N 2 2 318.852 3.264 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000262391915 432485106 /nfs/dbraw/zinc/48/51/06/432485106.db2.gz BIMJYXQQLIDKBW-HOTGVXAUSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000262391915 432485109 /nfs/dbraw/zinc/48/51/09/432485109.db2.gz BIMJYXQQLIDKBW-HOTGVXAUSA-N 2 2 313.470 3.160 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000262449782 432486919 /nfs/dbraw/zinc/48/69/19/432486919.db2.gz HQGPBLUAXRWSAX-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000262449782 432486921 /nfs/dbraw/zinc/48/69/21/432486921.db2.gz HQGPBLUAXRWSAX-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])[C@@H](C)CC)cc2[nH+]1 ZINC000262631213 432494124 /nfs/dbraw/zinc/49/41/24/432494124.db2.gz HBNVGYZMXODAKN-ZBEGNZNMSA-N 2 2 302.422 3.217 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261935965 432461194 /nfs/dbraw/zinc/46/11/94/432461194.db2.gz MCCVLCXLMVIPGI-CYBMUJFWSA-N 2 2 323.278 3.115 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261935965 432461199 /nfs/dbraw/zinc/46/11/99/432461199.db2.gz MCCVLCXLMVIPGI-CYBMUJFWSA-N 2 2 323.278 3.115 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1c1ccccc1 ZINC000261933373 432462124 /nfs/dbraw/zinc/46/21/24/432462124.db2.gz LUNIUCWLBGZSKE-LEWJYISDSA-N 2 2 322.452 3.402 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1c1ccccc1 ZINC000261933373 432462128 /nfs/dbraw/zinc/46/21/28/432462128.db2.gz LUNIUCWLBGZSKE-LEWJYISDSA-N 2 2 322.452 3.402 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226119 432466153 /nfs/dbraw/zinc/46/61/53/432466153.db2.gz GUSFQOYOZKQJKM-VYDXJSESSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226119 432466158 /nfs/dbraw/zinc/46/61/58/432466158.db2.gz GUSFQOYOZKQJKM-VYDXJSESSA-N 2 2 302.466 3.213 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261991289 432467738 /nfs/dbraw/zinc/46/77/38/432467738.db2.gz SJWCMCUPQBPNKE-AWEZNQCLSA-N 2 2 308.853 3.170 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261991289 432467740 /nfs/dbraw/zinc/46/77/40/432467740.db2.gz SJWCMCUPQBPNKE-AWEZNQCLSA-N 2 2 308.853 3.170 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978929 432514031 /nfs/dbraw/zinc/51/40/31/432514031.db2.gz BGCAPIPDAKTLEO-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000193978929 432514035 /nfs/dbraw/zinc/51/40/35/432514035.db2.gz BGCAPIPDAKTLEO-BBWFWOEESA-N 2 2 308.853 3.244 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000156690786 432604975 /nfs/dbraw/zinc/60/49/75/432604975.db2.gz IZOLEEPYMJALQI-ROUUACIJSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000156690786 432604980 /nfs/dbraw/zinc/60/49/80/432604980.db2.gz IZOLEEPYMJALQI-ROUUACIJSA-N 3 2 307.526 3.105 20 0 DGADLP CC[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1nccs1 ZINC000177267726 432604985 /nfs/dbraw/zinc/60/49/85/432604985.db2.gz CJHOARFGCQQXRJ-MRXNPFEDSA-N 2 2 313.430 3.139 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000156750503 432606582 /nfs/dbraw/zinc/60/65/82/432606582.db2.gz YMZZJZZLFLTGMV-QSJFSLAZSA-N 2 2 302.462 3.402 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000156750503 432606585 /nfs/dbraw/zinc/60/65/85/432606585.db2.gz YMZZJZZLFLTGMV-QSJFSLAZSA-N 2 2 302.462 3.402 20 0 DGADLP C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)Cn1cc[nH+]c1 ZINC000186609460 432613486 /nfs/dbraw/zinc/61/34/86/432613486.db2.gz IPQRADKOEDBQCK-HSBZDZAISA-N 2 2 303.372 3.478 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000155640114 432566238 /nfs/dbraw/zinc/56/62/38/432566238.db2.gz IYSUUQJAKPQKCV-INIZCTEOSA-N 2 2 323.444 3.345 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN(C)C(C)C)cc1 ZINC000155764774 432573182 /nfs/dbraw/zinc/57/31/82/432573182.db2.gz JFCOLDVBENPYJL-HNNXBMFYSA-N 2 2 300.450 3.172 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NCC[N@@H+](C)C(C)C)cc1 ZINC000155764774 432573188 /nfs/dbraw/zinc/57/31/88/432573188.db2.gz JFCOLDVBENPYJL-HNNXBMFYSA-N 2 2 300.450 3.172 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NCC[N@H+](C)C(C)C)cc1 ZINC000155764774 432573192 /nfs/dbraw/zinc/57/31/92/432573192.db2.gz JFCOLDVBENPYJL-HNNXBMFYSA-N 2 2 300.450 3.172 20 0 DGADLP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000186256298 432574763 /nfs/dbraw/zinc/57/47/63/432574763.db2.gz YYSOEPACMBAACR-INIZCTEOSA-N 2 2 302.462 3.187 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)cn2)c[nH+]1 ZINC000177082026 432583420 /nfs/dbraw/zinc/58/34/20/432583420.db2.gz OQJONQPKKAENFO-GOSISDBHSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](c4ccccc4)C3)cn2)c[nH+]1 ZINC000177082026 432583423 /nfs/dbraw/zinc/58/34/23/432583423.db2.gz OQJONQPKKAENFO-GOSISDBHSA-N 2 2 304.397 3.257 20 0 DGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1nc(C(F)(F)F)cs1 ZINC000273356685 432589405 /nfs/dbraw/zinc/58/94/05/432589405.db2.gz ZLWGFXCIOFTGOF-JTQLQIEISA-N 2 2 318.368 3.408 20 0 DGADLP CCCc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000195028629 432594787 /nfs/dbraw/zinc/59/47/87/432594787.db2.gz FPZVYNJAYNQCSR-KRWDZBQOSA-N 2 2 316.489 3.324 20 0 DGADLP Cc1cc[nH+]c(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000273418655 432597424 /nfs/dbraw/zinc/59/74/24/432597424.db2.gz YQOZVEBBVAFRAH-UHFFFAOYSA-N 2 2 318.424 3.392 20 0 DGADLP CC[NH+](CC)CCOc1ccc([NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000195070454 432600673 /nfs/dbraw/zinc/60/06/73/432600673.db2.gz UURXBEACHAISAO-CRAIPNDOSA-N 2 2 306.450 3.244 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158182639 432639869 /nfs/dbraw/zinc/63/98/69/432639869.db2.gz VNHSXQSFBORTDQ-DOTOQJQBSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158182639 432639874 /nfs/dbraw/zinc/63/98/74/432639874.db2.gz VNHSXQSFBORTDQ-DOTOQJQBSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CCC2 ZINC000423414634 282034527 /nfs/dbraw/zinc/03/45/27/282034527.db2.gz CLBHIMPCTYXYJR-DOTOQJQBSA-N 2 2 313.470 3.306 20 0 DGADLP C[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1cccc(Cl)c1 ZINC000187297934 432656309 /nfs/dbraw/zinc/65/63/09/432656309.db2.gz OWQVCSRIZPTCOJ-HNNXBMFYSA-N 2 2 324.896 3.222 20 0 DGADLP C[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1cccc(Cl)c1 ZINC000187297934 432656313 /nfs/dbraw/zinc/65/63/13/432656313.db2.gz OWQVCSRIZPTCOJ-HNNXBMFYSA-N 2 2 324.896 3.222 20 0 DGADLP CCn1nc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000274392520 432660262 /nfs/dbraw/zinc/66/02/62/432660262.db2.gz CQVMHRDVHGTJAU-CABCVRRESA-N 2 2 300.450 3.019 20 0 DGADLP CCn1nc(C[NH2+]CCCNc2cccc[nH+]2)c2ccccc21 ZINC000274424887 432665321 /nfs/dbraw/zinc/66/53/21/432665321.db2.gz LGZJMUWJVPBNTF-UHFFFAOYSA-N 2 2 309.417 3.043 20 0 DGADLP C[C@H](C[NH2+]C[C@@H](C)c1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000188016503 432698091 /nfs/dbraw/zinc/69/80/91/432698091.db2.gz HAIORKRFLNSAIX-HUUCEWRRSA-N 2 2 310.869 3.001 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2nc3cccc(Cl)c3n2C)CC1 ZINC000274818156 432713370 /nfs/dbraw/zinc/71/33/70/432713370.db2.gz ZSEYBBAFVYVWHF-UHFFFAOYSA-N 2 2 320.868 3.189 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)cn1 ZINC000274871372 432718780 /nfs/dbraw/zinc/71/87/80/432718780.db2.gz FRXQWZRCGNJAJP-LBPRGKRZSA-N 2 2 300.793 3.276 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1OC(F)(F)F ZINC000178307798 432718860 /nfs/dbraw/zinc/71/88/60/432718860.db2.gz UFQWSXHMGJRNNZ-GFCCVEGCSA-N 2 2 302.340 3.332 20 0 DGADLP C[C@H]1CCN(c2cc[nH+]cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000274948970 432722874 /nfs/dbraw/zinc/72/28/74/432722874.db2.gz UXHHEWNRQXLMAB-FZMZJTMJSA-N 2 2 321.222 3.128 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600300 432687892 /nfs/dbraw/zinc/68/78/92/432687892.db2.gz QXTCDACIUCFDTC-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600300 432687895 /nfs/dbraw/zinc/68/78/95/432687895.db2.gz QXTCDACIUCFDTC-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600300 432687899 /nfs/dbraw/zinc/68/78/99/432687899.db2.gz QXTCDACIUCFDTC-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000274600300 432687903 /nfs/dbraw/zinc/68/79/03/432687903.db2.gz QXTCDACIUCFDTC-INIZCTEOSA-N 2 2 314.477 3.220 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000178064660 432690660 /nfs/dbraw/zinc/69/06/60/432690660.db2.gz NWYQKXFVKLEQQE-BBRMVZONSA-N 2 2 318.490 3.278 20 0 DGADLP CCn1nc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000274634719 432691819 /nfs/dbraw/zinc/69/18/19/432691819.db2.gz ZWEXAFATHRWIHE-UHFFFAOYSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000274634719 432691824 /nfs/dbraw/zinc/69/18/24/432691824.db2.gz ZWEXAFATHRWIHE-UHFFFAOYSA-N 2 2 314.477 3.361 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4ccccc4o3)CC2)c1 ZINC000178528770 432748936 /nfs/dbraw/zinc/74/89/36/432748936.db2.gz CNCFPQNSHVCRID-UHFFFAOYSA-N 2 2 323.396 3.159 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)[NH+](C)C ZINC000236639717 432752201 /nfs/dbraw/zinc/75/22/01/432752201.db2.gz UEORSFNTCUQJKC-DOTOQJQBSA-N 2 2 320.477 3.302 20 0 DGADLP Cc1ccoc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000266198725 432753384 /nfs/dbraw/zinc/75/33/84/432753384.db2.gz KLYVTWQHHLJKQW-MRXNPFEDSA-N 2 2 314.429 3.099 20 0 DGADLP Cc1ccoc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000266198725 432753388 /nfs/dbraw/zinc/75/33/88/432753388.db2.gz KLYVTWQHHLJKQW-MRXNPFEDSA-N 2 2 314.429 3.099 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000266573649 432766647 /nfs/dbraw/zinc/76/66/47/432766647.db2.gz FHBCTAZHYCTIIV-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000266573649 432766650 /nfs/dbraw/zinc/76/66/50/432766650.db2.gz FHBCTAZHYCTIIV-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000189325728 432777377 /nfs/dbraw/zinc/77/73/77/432777377.db2.gz YMHSYIYVNQLLNB-QGZVFWFLSA-N 2 2 305.441 3.309 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000189325728 432777380 /nfs/dbraw/zinc/77/73/80/432777380.db2.gz YMHSYIYVNQLLNB-QGZVFWFLSA-N 2 2 305.441 3.309 20 0 DGADLP CC[C@H](C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)[NH+](C)C ZINC000178372544 432727933 /nfs/dbraw/zinc/72/79/33/432727933.db2.gz DXTHQBUQSUEFOH-CQSZACIVSA-N 2 2 302.422 3.139 20 0 DGADLP CCOC(CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OCC ZINC000276191347 432781622 /nfs/dbraw/zinc/78/16/22/432781622.db2.gz HXNGCOBIPCBAPI-WMZOPIPTSA-N 2 2 320.477 3.028 20 0 DGADLP CCOC(CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OCC ZINC000276191347 432781625 /nfs/dbraw/zinc/78/16/25/432781625.db2.gz HXNGCOBIPCBAPI-WMZOPIPTSA-N 2 2 320.477 3.028 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000231463504 432732194 /nfs/dbraw/zinc/73/21/94/432732194.db2.gz BJEHCGNOEZSFTR-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000231463504 432732199 /nfs/dbraw/zinc/73/21/99/432732199.db2.gz BJEHCGNOEZSFTR-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000178440293 432736928 /nfs/dbraw/zinc/73/69/28/432736928.db2.gz ODGLGMKVPQEJEL-NSHDSACASA-N 2 2 317.296 3.427 20 0 DGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000178440293 432736929 /nfs/dbraw/zinc/73/69/29/432736929.db2.gz ODGLGMKVPQEJEL-NSHDSACASA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Br)s1 ZINC000178440293 432736930 /nfs/dbraw/zinc/73/69/30/432736930.db2.gz ODGLGMKVPQEJEL-NSHDSACASA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Br)s1 ZINC000178440293 432736934 /nfs/dbraw/zinc/73/69/34/432736934.db2.gz ODGLGMKVPQEJEL-NSHDSACASA-N 2 2 317.296 3.427 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000178442082 432737533 /nfs/dbraw/zinc/73/75/33/432737533.db2.gz NHJMLRUOZUIEFF-SFHVURJKSA-N 2 2 300.446 3.066 20 0 DGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccoc3)CC2)cc1 ZINC000178475391 432741702 /nfs/dbraw/zinc/74/17/02/432741702.db2.gz BOXDOWSRGOSVMM-UHFFFAOYSA-N 2 2 302.393 3.215 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000162297367 432819126 /nfs/dbraw/zinc/81/91/26/432819126.db2.gz JUMXOEQUNWNMQJ-AWEZNQCLSA-N 2 2 301.459 3.458 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cncc(F)c1 ZINC000162753934 432833397 /nfs/dbraw/zinc/83/33/97/432833397.db2.gz BHTRVKKXOLHJBD-OAHLLOKOSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cncc(F)c1 ZINC000162753934 432833399 /nfs/dbraw/zinc/83/33/99/432833399.db2.gz BHTRVKKXOLHJBD-OAHLLOKOSA-N 2 2 301.409 3.393 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000267343675 432833718 /nfs/dbraw/zinc/83/37/18/432833718.db2.gz FCCXIGHCOWLSGK-LBPRGKRZSA-N 2 2 301.356 3.269 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000267343675 432833720 /nfs/dbraw/zinc/83/37/20/432833720.db2.gz FCCXIGHCOWLSGK-LBPRGKRZSA-N 2 2 301.356 3.269 20 0 DGADLP COc1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237264256 432784267 /nfs/dbraw/zinc/78/42/67/432784267.db2.gz RGNQVTGTQKJWPW-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP COc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237264256 432784271 /nfs/dbraw/zinc/78/42/71/432784271.db2.gz RGNQVTGTQKJWPW-HXUWFJFHSA-N 2 2 324.468 3.492 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC000276377339 432802567 /nfs/dbraw/zinc/80/25/67/432802567.db2.gz POBQKDHIUSPHRL-INIZCTEOSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC000276377339 432802571 /nfs/dbraw/zinc/80/25/71/432802571.db2.gz POBQKDHIUSPHRL-INIZCTEOSA-N 2 2 305.441 3.165 20 0 DGADLP CCSc1cc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)ccn1 ZINC000189606231 432803646 /nfs/dbraw/zinc/80/36/46/432803646.db2.gz NBUCPBVWDYGDNS-UHFFFAOYSA-N 2 2 312.442 3.440 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@H]1CC[NH2+]C1 ZINC000238128821 432813260 /nfs/dbraw/zinc/81/32/60/432813260.db2.gz CITZBKMXAHDHDC-ZDUSSCGKSA-N 2 2 312.417 3.159 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000276505080 432813678 /nfs/dbraw/zinc/81/36/78/432813678.db2.gz YNRYGTHHJVNLGI-SNVBAGLBSA-N 2 2 310.195 3.145 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000276505080 432813682 /nfs/dbraw/zinc/81/36/82/432813682.db2.gz YNRYGTHHJVNLGI-SNVBAGLBSA-N 2 2 310.195 3.145 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1n1cc[nH+]c1 ZINC000277746896 432873672 /nfs/dbraw/zinc/87/36/72/432873672.db2.gz PHVPNWKACTVDOO-SWLSCSKDSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1n1cc[nH+]c1 ZINC000277746896 432873673 /nfs/dbraw/zinc/87/36/73/432873673.db2.gz PHVPNWKACTVDOO-SWLSCSKDSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1nccs1 ZINC000268044490 432840534 /nfs/dbraw/zinc/84/05/34/432840534.db2.gz PQVSZRDIDVGEBH-DOTOQJQBSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1nccs1 ZINC000268044490 432840538 /nfs/dbraw/zinc/84/05/38/432840538.db2.gz PQVSZRDIDVGEBH-DOTOQJQBSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277447677 432851816 /nfs/dbraw/zinc/85/18/16/432851816.db2.gz GABQARKFRFRQEN-MAUKXSAKSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000277447677 432851820 /nfs/dbraw/zinc/85/18/20/432851820.db2.gz GABQARKFRFRQEN-MAUKXSAKSA-N 2 2 315.461 3.010 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)ccc1Oc1cc[nH+]cc1 ZINC000279123975 432937221 /nfs/dbraw/zinc/93/72/21/432937221.db2.gz XPCLJHXBSPDCGU-INIZCTEOSA-N 2 2 311.385 3.215 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1Oc1cc[nH+]cc1 ZINC000279123975 432937224 /nfs/dbraw/zinc/93/72/24/432937224.db2.gz XPCLJHXBSPDCGU-INIZCTEOSA-N 2 2 311.385 3.215 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289273677 432941025 /nfs/dbraw/zinc/94/10/25/432941025.db2.gz GMDMRKVYPRRWIC-HNNXBMFYSA-N 2 2 316.367 3.102 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289273677 432941028 /nfs/dbraw/zinc/94/10/28/432941028.db2.gz GMDMRKVYPRRWIC-HNNXBMFYSA-N 2 2 316.367 3.102 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000278793746 432901169 /nfs/dbraw/zinc/90/11/69/432901169.db2.gz QNHMJRQOYNJICT-HUUCEWRRSA-N 2 2 322.449 3.085 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000278793746 432901172 /nfs/dbraw/zinc/90/11/72/432901172.db2.gz QNHMJRQOYNJICT-HUUCEWRRSA-N 2 2 322.449 3.085 20 0 DGADLP Fc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000278910256 432916296 /nfs/dbraw/zinc/91/62/96/432916296.db2.gz QIBJKIJGIONIJQ-UHFFFAOYSA-N 2 2 314.408 3.133 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000297142523 432964840 /nfs/dbraw/zinc/96/48/40/432964840.db2.gz ZNMNAXRQDVCWGA-JFRXWTBNSA-N 2 2 324.472 3.074 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000297142523 432964843 /nfs/dbraw/zinc/96/48/43/432964843.db2.gz ZNMNAXRQDVCWGA-JFRXWTBNSA-N 2 2 324.472 3.074 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000341147782 432975638 /nfs/dbraw/zinc/97/56/38/432975638.db2.gz SYPHTEOODKSOCF-UHFFFAOYSA-N 2 2 314.364 3.199 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000279532651 432979242 /nfs/dbraw/zinc/97/92/42/432979242.db2.gz CCYDYZRPYUAIGK-INIZCTEOSA-N 2 2 321.428 3.283 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000279532651 432979244 /nfs/dbraw/zinc/97/92/44/432979244.db2.gz CCYDYZRPYUAIGK-INIZCTEOSA-N 2 2 321.428 3.283 20 0 DGADLP COCC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000290051213 432984866 /nfs/dbraw/zinc/98/48/66/432984866.db2.gz FCBUIHTVZBCFJE-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000289440676 432959576 /nfs/dbraw/zinc/95/95/76/432959576.db2.gz TVBUSQQRJBSLAV-KRWDZBQOSA-N 3 2 317.477 3.108 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000289440676 432959581 /nfs/dbraw/zinc/95/95/81/432959581.db2.gz TVBUSQQRJBSLAV-KRWDZBQOSA-N 3 2 317.477 3.108 20 0 DGADLP Cc1cnccc1OC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000289440676 432959585 /nfs/dbraw/zinc/95/95/85/432959585.db2.gz TVBUSQQRJBSLAV-KRWDZBQOSA-N 2 2 317.477 3.108 20 0 DGADLP Cc1cnccc1OC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000289440676 432959586 /nfs/dbraw/zinc/95/95/86/432959586.db2.gz TVBUSQQRJBSLAV-KRWDZBQOSA-N 2 2 317.477 3.108 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(Cl)c1O ZINC000297777942 433016607 /nfs/dbraw/zinc/01/66/07/433016607.db2.gz VZMNIECZMLTAII-NHYWBVRUSA-N 2 2 324.852 3.017 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccco2)s1 ZINC000290399545 433045771 /nfs/dbraw/zinc/04/57/71/433045771.db2.gz JGVHUUKLWJFPDK-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccco2)s1 ZINC000290399545 433045775 /nfs/dbraw/zinc/04/57/75/433045775.db2.gz JGVHUUKLWJFPDK-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1nc2c(s1)CCCC2 ZINC000290290605 433028092 /nfs/dbraw/zinc/02/80/92/433028092.db2.gz GYQJAIRJWYBHEQ-UHFFFAOYSA-N 2 2 315.486 3.490 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000333046561 433030659 /nfs/dbraw/zinc/03/06/59/433030659.db2.gz ADHNKZLPIIVCHY-GOSISDBHSA-N 2 2 324.428 3.218 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000333046561 433030663 /nfs/dbraw/zinc/03/06/63/433030663.db2.gz ADHNKZLPIIVCHY-GOSISDBHSA-N 2 2 324.428 3.218 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000290315833 433030712 /nfs/dbraw/zinc/03/07/12/433030712.db2.gz JBLZAVVOZFLCBX-HNNXBMFYSA-N 2 2 321.465 3.216 20 0 DGADLP Cc1nc(NC2CC[NH+](CC3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000349896956 433031113 /nfs/dbraw/zinc/03/11/13/433031113.db2.gz XMOMPHQECLEYDC-UHFFFAOYSA-N 2 2 302.466 3.468 20 0 DGADLP CC1(C)C(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000280312740 433034146 /nfs/dbraw/zinc/03/41/46/433034146.db2.gz PSMKXCHWQXMCMF-UHFFFAOYSA-N 2 2 301.478 3.318 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000290350187 433036399 /nfs/dbraw/zinc/03/63/99/433036399.db2.gz QBTSENGULPBVPF-VQTJNVASSA-N 2 2 310.441 3.145 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)CCC2 ZINC000372944708 433067454 /nfs/dbraw/zinc/06/74/54/433067454.db2.gz FQSUWLVPSQFASE-GFCCVEGCSA-N 2 2 309.335 3.276 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341462293 433072238 /nfs/dbraw/zinc/07/22/38/433072238.db2.gz BHMNSQORNCLHGK-SFHVURJKSA-N 2 2 322.456 3.739 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341462293 433072248 /nfs/dbraw/zinc/07/22/48/433072248.db2.gz BHMNSQORNCLHGK-SFHVURJKSA-N 2 2 322.456 3.739 20 0 DGADLP COC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCCC1 ZINC000446745651 433100079 /nfs/dbraw/zinc/10/00/79/433100079.db2.gz SPEKQXXFSWQKRO-IBGZPJMESA-N 2 2 313.445 3.226 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000290536997 433087697 /nfs/dbraw/zinc/08/76/97/433087697.db2.gz YMUCTYCYQWVQKC-IVZQSRNASA-N 2 2 316.470 3.411 20 0 DGADLP COc1ccc(O[C@@H](C)C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000290562762 433096956 /nfs/dbraw/zinc/09/69/56/433096956.db2.gz ZTRJAZAOTORBFP-INIZCTEOSA-N 2 2 314.429 3.388 20 0 DGADLP Cc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000341505001 433098668 /nfs/dbraw/zinc/09/86/68/433098668.db2.gz SBSZMPXEXURHLI-UHFFFAOYSA-N 2 2 322.456 3.375 20 0 DGADLP Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000341505001 433098678 /nfs/dbraw/zinc/09/86/78/433098678.db2.gz SBSZMPXEXURHLI-UHFFFAOYSA-N 2 2 322.456 3.375 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000373235416 433139372 /nfs/dbraw/zinc/13/93/72/433139372.db2.gz ZJGPSNCNJHQOCA-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP C[NH+](C)CCOc1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000290719257 433147551 /nfs/dbraw/zinc/14/75/51/433147551.db2.gz YPJIGIWCRRDXQE-UHFFFAOYSA-N 2 2 322.412 3.182 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)C1CC1 ZINC000420298267 433149195 /nfs/dbraw/zinc/14/91/95/433149195.db2.gz ZURPFASGNHHEBM-MRXNPFEDSA-N 2 2 323.412 3.305 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000420308195 433153450 /nfs/dbraw/zinc/15/34/50/433153450.db2.gz CPNCZEOEZJZDTD-INIZCTEOSA-N 2 2 316.474 3.012 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(Nc2ccccc2)n1 ZINC000420308195 433153458 /nfs/dbraw/zinc/15/34/58/433153458.db2.gz CPNCZEOEZJZDTD-INIZCTEOSA-N 2 2 316.474 3.012 20 0 DGADLP Cc1ccc(CCC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c[nH+]1 ZINC000354476879 433104116 /nfs/dbraw/zinc/10/41/16/433104116.db2.gz LXHOXKOWRWCCDR-UHFFFAOYSA-N 2 2 310.397 3.330 20 0 DGADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453347765 433107515 /nfs/dbraw/zinc/10/75/15/433107515.db2.gz FWTCRQKORNYULP-LPHOPBHVSA-N 2 2 311.429 3.436 20 0 DGADLP C[C@@H](c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453347765 433107523 /nfs/dbraw/zinc/10/75/23/433107523.db2.gz FWTCRQKORNYULP-LPHOPBHVSA-N 2 2 311.429 3.436 20 0 DGADLP C[NH2+]C[C@H]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000420114361 433111979 /nfs/dbraw/zinc/11/19/79/433111979.db2.gz DLXDYSLFJWQSLX-CQSZACIVSA-N 2 2 304.482 3.333 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c[nH+]1 ZINC000354497472 433115968 /nfs/dbraw/zinc/11/59/68/433115968.db2.gz ILUWAMGUCJFELE-APWZRJJASA-N 2 2 323.440 3.106 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cncc(Br)c1 ZINC000290618670 433117619 /nfs/dbraw/zinc/11/76/19/433117619.db2.gz XAVGGAMTQUJWRB-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cncc(Br)c1 ZINC000290618670 433117632 /nfs/dbraw/zinc/11/76/32/433117632.db2.gz XAVGGAMTQUJWRB-UHFFFAOYSA-N 2 2 314.271 3.008 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c[nH+]1 ZINC000354573651 433160385 /nfs/dbraw/zinc/16/03/85/433160385.db2.gz NCPCLBPXTVPWOA-LJQANCHMSA-N 3 2 303.494 3.280 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c[nH+]1 ZINC000354573651 433160393 /nfs/dbraw/zinc/16/03/93/433160393.db2.gz NCPCLBPXTVPWOA-LJQANCHMSA-N 3 2 303.494 3.280 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000425323281 433160850 /nfs/dbraw/zinc/16/08/50/433160850.db2.gz IVHXOUTUWONMOU-IXDOHACOSA-N 2 2 304.482 3.301 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000425323281 433160860 /nfs/dbraw/zinc/16/08/60/433160860.db2.gz IVHXOUTUWONMOU-IXDOHACOSA-N 2 2 304.482 3.301 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000354581790 433164422 /nfs/dbraw/zinc/16/44/22/433164422.db2.gz GKYPUOKSLGUZES-UHFFFAOYSA-N 2 2 321.428 3.168 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425334909 433172941 /nfs/dbraw/zinc/17/29/41/433172941.db2.gz HSCHHFYFDSNCSC-QGZVFWFLSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000425334909 433172952 /nfs/dbraw/zinc/17/29/52/433172952.db2.gz HSCHHFYFDSNCSC-QGZVFWFLSA-N 2 2 312.461 3.170 20 0 DGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000453415992 433173181 /nfs/dbraw/zinc/17/31/81/433173181.db2.gz BSCABSJIGZWZEQ-RBUKOAKNSA-N 2 2 301.478 3.460 20 0 DGADLP CCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654556 433173941 /nfs/dbraw/zinc/17/39/41/433173941.db2.gz BVZSNDFQXOWZCS-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP CCC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000336654556 433173947 /nfs/dbraw/zinc/17/39/47/433173947.db2.gz BVZSNDFQXOWZCS-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336238 433174974 /nfs/dbraw/zinc/17/49/74/433174974.db2.gz LAEORSGALYMKTL-BBRMVZONSA-N 2 2 316.449 3.361 20 0 DGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336238 433174986 /nfs/dbraw/zinc/17/49/86/433174986.db2.gz LAEORSGALYMKTL-BBRMVZONSA-N 2 2 316.449 3.361 20 0 DGADLP CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420359463 433175157 /nfs/dbraw/zinc/17/51/57/433175157.db2.gz KQRABSCUIICCIW-GOSISDBHSA-N 2 2 318.461 3.285 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000420358740 433178901 /nfs/dbraw/zinc/17/89/01/433178901.db2.gz JCTRZYRDQITVJN-LBPRGKRZSA-N 2 2 315.248 3.104 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000453430098 433178999 /nfs/dbraw/zinc/17/89/99/433178999.db2.gz QXYWJSNZFPAKLY-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000453430098 433179007 /nfs/dbraw/zinc/17/90/07/433179007.db2.gz QXYWJSNZFPAKLY-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000420365513 433179922 /nfs/dbraw/zinc/17/99/22/433179922.db2.gz QEDRVROIUVDBHM-CYBMUJFWSA-N 2 2 315.230 3.066 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000298571609 433182719 /nfs/dbraw/zinc/18/27/19/433182719.db2.gz DMRWAZAZVHCWPM-HOTGVXAUSA-N 2 2 317.452 3.142 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000298571609 433182726 /nfs/dbraw/zinc/18/27/26/433182726.db2.gz DMRWAZAZVHCWPM-HOTGVXAUSA-N 2 2 317.452 3.142 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420374398 433185797 /nfs/dbraw/zinc/18/57/97/433185797.db2.gz RWEWJSPXHCGAKY-YOEHRIQHSA-N 2 2 317.477 3.116 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376038 433185988 /nfs/dbraw/zinc/18/59/88/433185988.db2.gz AERHPJPRENRKHJ-SJLPKXTDSA-N 2 2 311.429 3.306 20 0 DGADLP c1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376038 433185994 /nfs/dbraw/zinc/18/59/94/433185994.db2.gz AERHPJPRENRKHJ-SJLPKXTDSA-N 2 2 311.429 3.306 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000420378136 433186597 /nfs/dbraw/zinc/18/65/97/433186597.db2.gz WUEUXKCYNFQGNZ-XHBSWPGZSA-N 2 2 303.837 3.364 20 0 DGADLP c1csc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)no2)c1 ZINC000420380539 433187192 /nfs/dbraw/zinc/18/71/92/433187192.db2.gz CDJXDRQLIKMXOZ-HIFRSBDPSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)no2)c1 ZINC000420380539 433187201 /nfs/dbraw/zinc/18/72/01/433187201.db2.gz CDJXDRQLIKMXOZ-HIFRSBDPSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000420382745 433191691 /nfs/dbraw/zinc/19/16/91/433191691.db2.gz ZZGOZLNIBSGNKK-BFQNTYOBSA-N 2 2 303.837 3.364 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)co1 ZINC000420387682 433192345 /nfs/dbraw/zinc/19/23/45/433192345.db2.gz GLNXWIICQQEWIV-CJNGLKHVSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)co1 ZINC000420387682 433192353 /nfs/dbraw/zinc/19/23/53/433192353.db2.gz GLNXWIICQQEWIV-CJNGLKHVSA-N 2 2 317.458 3.367 20 0 DGADLP CCOC(=O)C[C@@](C)([NH2+]CCCc1ccc(C)[nH+]c1)C(C)C ZINC000354639200 433193389 /nfs/dbraw/zinc/19/33/89/433193389.db2.gz RVHPVGCIJPSLBM-GOSISDBHSA-N 2 2 306.450 3.280 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000361481065 433198162 /nfs/dbraw/zinc/19/81/62/433198162.db2.gz JGZOFXITVHXLAT-QRVBRYPASA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000361481065 433198168 /nfs/dbraw/zinc/19/81/68/433198168.db2.gz JGZOFXITVHXLAT-QRVBRYPASA-N 2 2 302.462 3.056 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1c1cccc(F)c1 ZINC000420392930 433198852 /nfs/dbraw/zinc/19/88/52/433198852.db2.gz PZFQAEILPKBXFR-RBUKOAKNSA-N 2 2 316.395 3.324 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1c1cccc(F)c1 ZINC000420392930 433198859 /nfs/dbraw/zinc/19/88/59/433198859.db2.gz PZFQAEILPKBXFR-RBUKOAKNSA-N 2 2 316.395 3.324 20 0 DGADLP Cc1cccc([C@@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)C(C)(C)C)c1 ZINC000420416212 433199462 /nfs/dbraw/zinc/19/94/62/433199462.db2.gz VKLGRHROPCYHJQ-OAHLLOKOSA-N 2 2 316.449 3.449 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000420409765 433202055 /nfs/dbraw/zinc/20/20/55/433202055.db2.gz QUKGCJQWDGMBCW-VHDGCEQUSA-N 2 2 314.433 3.023 20 0 DGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000420409765 433202068 /nfs/dbraw/zinc/20/20/68/433202068.db2.gz QUKGCJQWDGMBCW-VHDGCEQUSA-N 2 2 314.433 3.023 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)COC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000337334937 433222251 /nfs/dbraw/zinc/22/22/51/433222251.db2.gz LBSZUWHDPQIEEI-VQIMIIECSA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)COC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000337334937 433222260 /nfs/dbraw/zinc/22/22/60/433222260.db2.gz LBSZUWHDPQIEEI-VQIMIIECSA-N 2 2 304.478 3.226 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000453596416 433224912 /nfs/dbraw/zinc/22/49/12/433224912.db2.gz AQHOXDWUHISLCL-SFHVURJKSA-N 2 2 304.478 3.490 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nc(-c3ccncc3)cs2)CC1 ZINC000341706646 433228098 /nfs/dbraw/zinc/22/80/98/433228098.db2.gz QPHXFUUEALFNMI-CYBMUJFWSA-N 2 2 316.474 3.340 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000447568940 433231716 /nfs/dbraw/zinc/23/17/16/433231716.db2.gz AEPCFZTYOAWVAH-BBWFWOEESA-N 2 2 306.494 3.046 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000447568940 433231720 /nfs/dbraw/zinc/23/17/20/433231720.db2.gz AEPCFZTYOAWVAH-BBWFWOEESA-N 2 2 306.494 3.046 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447564887 433231818 /nfs/dbraw/zinc/23/18/18/433231818.db2.gz ZJRZCDYGNMKKJM-ZNMIVQPWSA-N 2 2 322.449 3.085 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000447564887 433231825 /nfs/dbraw/zinc/23/18/25/433231825.db2.gz ZJRZCDYGNMKKJM-ZNMIVQPWSA-N 2 2 322.449 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccsc1Cl ZINC000361543145 433234744 /nfs/dbraw/zinc/23/47/44/433234744.db2.gz KWQWILJDYHILJA-RDBSUJKOSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccsc1Cl ZINC000361543145 433234752 /nfs/dbraw/zinc/23/47/52/433234752.db2.gz KWQWILJDYHILJA-RDBSUJKOSA-N 2 2 314.882 3.085 20 0 DGADLP CCc1nc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc(C)[nH+]1 ZINC000341736617 433242700 /nfs/dbraw/zinc/24/27/00/433242700.db2.gz XEGUVDTUVIQPSB-OAGGEKHMSA-N 2 2 302.466 3.189 20 0 DGADLP Cc1[nH+]ccn1CCCNc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000337792904 433261586 /nfs/dbraw/zinc/26/15/86/433261586.db2.gz DSXMCNXTLALXQF-UHFFFAOYSA-N 2 2 315.465 3.905 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000474815818 289689740 /nfs/dbraw/zinc/68/97/40/289689740.db2.gz GVXHKUANIVNQLY-PMPSAXMXSA-N 2 2 324.896 3.390 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281601131 433316515 /nfs/dbraw/zinc/31/65/15/433316515.db2.gz MEMQKHCMVLVMCC-RHSMWYFYSA-N 2 2 301.438 3.052 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281601131 433316527 /nfs/dbraw/zinc/31/65/27/433316527.db2.gz MEMQKHCMVLVMCC-RHSMWYFYSA-N 2 2 301.438 3.052 20 0 DGADLP CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000447907103 433318216 /nfs/dbraw/zinc/31/82/16/433318216.db2.gz ZMJFGLWHHFWLAH-GOSISDBHSA-N 2 2 312.461 3.082 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000422706042 289734995 /nfs/dbraw/zinc/73/49/95/289734995.db2.gz SRYQDYKVKOTTGX-IAGOWNOFSA-N 3 2 304.482 3.174 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000447835436 433293999 /nfs/dbraw/zinc/29/39/99/433293999.db2.gz UBBZWZITPLZWDV-SJLPKXTDSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000447835436 433294009 /nfs/dbraw/zinc/29/40/09/433294009.db2.gz UBBZWZITPLZWDV-SJLPKXTDSA-N 2 2 313.445 3.306 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420907840 433307689 /nfs/dbraw/zinc/30/76/89/433307689.db2.gz VQPOVORMXTVAOJ-KRWDZBQOSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420907840 433307699 /nfs/dbraw/zinc/30/76/99/433307699.db2.gz VQPOVORMXTVAOJ-KRWDZBQOSA-N 2 2 302.462 3.141 20 0 DGADLP CC(C)[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835627 433308288 /nfs/dbraw/zinc/30/82/88/433308288.db2.gz VNTFGIMYVXZJJR-WOJBJXKFSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835627 433308294 /nfs/dbraw/zinc/30/82/94/433308294.db2.gz VNTFGIMYVXZJJR-WOJBJXKFSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835627 433308299 /nfs/dbraw/zinc/30/82/99/433308299.db2.gz VNTFGIMYVXZJJR-WOJBJXKFSA-N 2 2 316.489 3.398 20 0 DGADLP CC(C)[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835627 433308305 /nfs/dbraw/zinc/30/83/05/433308305.db2.gz VNTFGIMYVXZJJR-WOJBJXKFSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@H](C)C[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894094 433346092 /nfs/dbraw/zinc/34/60/92/433346092.db2.gz JJKFVJCOQXFTIW-HKUYNNGSSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H](C)C[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894094 433346104 /nfs/dbraw/zinc/34/61/04/433346104.db2.gz JJKFVJCOQXFTIW-HKUYNNGSSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H](C)C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341894094 433346116 /nfs/dbraw/zinc/34/61/16/433346116.db2.gz JJKFVJCOQXFTIW-HKUYNNGSSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H](C)C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341894094 433346126 /nfs/dbraw/zinc/34/61/26/433346126.db2.gz JJKFVJCOQXFTIW-HKUYNNGSSA-N 2 2 304.478 3.255 20 0 DGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1OCCc2sccc21 ZINC000291772581 433347166 /nfs/dbraw/zinc/34/71/66/433347166.db2.gz TUPPZBLANVUTNV-SJCJKPOMSA-N 2 2 313.426 3.188 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000354930215 433364340 /nfs/dbraw/zinc/36/43/40/433364340.db2.gz XBOSRBJCAQFSQF-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000354930215 433364351 /nfs/dbraw/zinc/36/43/51/433364351.db2.gz XBOSRBJCAQFSQF-UHFFFAOYSA-N 2 2 310.441 3.432 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000414058324 433365215 /nfs/dbraw/zinc/36/52/15/433365215.db2.gz HBBKMKQZNJYLSE-HZPDHXFCSA-N 2 2 315.461 3.449 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC1(C)C ZINC000414076900 433378242 /nfs/dbraw/zinc/37/82/42/433378242.db2.gz QRMUDZFTJFRPTC-MSOLQXFVSA-N 2 2 301.478 3.460 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000341873884 433331378 /nfs/dbraw/zinc/33/13/78/433331378.db2.gz HSLNGNZFTUIFHQ-LPHOPBHVSA-N 2 2 316.445 3.176 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000341882394 433333751 /nfs/dbraw/zinc/33/37/51/433333751.db2.gz HBXZCQWCTMFDNC-WBQNTZJQSA-N 2 2 308.853 3.100 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000341882394 433333766 /nfs/dbraw/zinc/33/37/66/433333766.db2.gz HBXZCQWCTMFDNC-WBQNTZJQSA-N 2 2 308.853 3.100 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000341882379 433335720 /nfs/dbraw/zinc/33/57/20/433335720.db2.gz HBXZCQWCTMFDNC-DXEWXGHRSA-N 2 2 308.853 3.100 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000341882379 433335733 /nfs/dbraw/zinc/33/57/33/433335733.db2.gz HBXZCQWCTMFDNC-DXEWXGHRSA-N 2 2 308.853 3.100 20 0 DGADLP CCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893775 433338918 /nfs/dbraw/zinc/33/89/18/433338918.db2.gz TTYUNNHWBBYLLO-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893775 433338926 /nfs/dbraw/zinc/33/89/26/433338926.db2.gz TTYUNNHWBBYLLO-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893775 433338933 /nfs/dbraw/zinc/33/89/33/433338933.db2.gz TTYUNNHWBBYLLO-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP CCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893775 433338945 /nfs/dbraw/zinc/33/89/45/433338945.db2.gz TTYUNNHWBBYLLO-IBGZPJMESA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890026 433340248 /nfs/dbraw/zinc/34/02/48/433340248.db2.gz MRNNJMWXDHHFTQ-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890026 433340256 /nfs/dbraw/zinc/34/02/56/433340256.db2.gz MRNNJMWXDHHFTQ-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890026 433340262 /nfs/dbraw/zinc/34/02/62/433340262.db2.gz MRNNJMWXDHHFTQ-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890026 433340269 /nfs/dbraw/zinc/34/02/69/433340269.db2.gz MRNNJMWXDHHFTQ-GGPKGHCWSA-N 2 2 316.489 3.398 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899252 433344221 /nfs/dbraw/zinc/34/42/21/433344221.db2.gz GQCSOXCMCIDFTC-PMACEKPBSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899252 433344224 /nfs/dbraw/zinc/34/42/24/433344224.db2.gz GQCSOXCMCIDFTC-PMACEKPBSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899252 433344231 /nfs/dbraw/zinc/34/42/31/433344231.db2.gz GQCSOXCMCIDFTC-PMACEKPBSA-N 2 2 314.473 3.009 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H](C4CC4)C3)C2)cc1 ZINC000341899252 433344238 /nfs/dbraw/zinc/34/42/38/433344238.db2.gz GQCSOXCMCIDFTC-PMACEKPBSA-N 2 2 314.473 3.009 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000339184898 433425129 /nfs/dbraw/zinc/42/51/29/433425129.db2.gz OIDNBROUEJHWPC-ZDUSSCGKSA-N 2 2 313.536 3.218 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159158 433427511 /nfs/dbraw/zinc/42/75/11/433427511.db2.gz YCSNTLYPDSEPFV-WMZOPIPTSA-N 2 2 324.472 3.002 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414159158 433427516 /nfs/dbraw/zinc/42/75/16/433427516.db2.gz YCSNTLYPDSEPFV-WMZOPIPTSA-N 2 2 324.472 3.002 20 0 DGADLP CC(C)C(C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000375182943 433383071 /nfs/dbraw/zinc/38/30/71/433383071.db2.gz UEBRIOPCOIIYJO-UHFFFAOYSA-N 3 2 309.542 3.063 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1c1nc(CCc2[nH+]cccc2C)no1 ZINC000351133516 433384723 /nfs/dbraw/zinc/38/47/23/433384723.db2.gz SEWWRFPLDRUXGW-HNNXBMFYSA-N 2 2 300.406 3.105 20 0 DGADLP CCC[N@H+]1CCC[C@H]1c1nc(CCc2[nH+]cccc2C)no1 ZINC000351133516 433384732 /nfs/dbraw/zinc/38/47/32/433384732.db2.gz SEWWRFPLDRUXGW-HNNXBMFYSA-N 2 2 300.406 3.105 20 0 DGADLP c1cc2c(nc[nH+]c2N2CCC[N@@H+](CC3CCCCC3)CC2)[nH]1 ZINC000339136501 433384813 /nfs/dbraw/zinc/38/48/13/433384813.db2.gz VDZUVJSPELBTQE-UHFFFAOYSA-N 2 2 313.449 3.050 20 0 DGADLP c1cc2c(nc[nH+]c2N2CCC[N@H+](CC3CCCCC3)CC2)[nH]1 ZINC000339136501 433384823 /nfs/dbraw/zinc/38/48/23/433384823.db2.gz VDZUVJSPELBTQE-UHFFFAOYSA-N 2 2 313.449 3.050 20 0 DGADLP Cc1cc(C)c(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000454353920 433389016 /nfs/dbraw/zinc/38/90/16/433389016.db2.gz XWYXTNVDMJHJEK-UHFFFAOYSA-N 2 2 312.417 3.082 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000426002569 433398267 /nfs/dbraw/zinc/39/82/67/433398267.db2.gz PHEPVQHOMBRSFW-IHWYPQMZSA-N 2 2 309.413 3.342 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361810746 433399424 /nfs/dbraw/zinc/39/94/24/433399424.db2.gz GEZWCHXKMTWNLV-BFYDXBDKSA-N 2 2 301.434 3.320 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCC2 ZINC000375271135 433405696 /nfs/dbraw/zinc/40/56/96/433405696.db2.gz YHLORXNHDIJUJT-JKSUJKDBSA-N 2 2 303.450 3.047 20 0 DGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1Br ZINC000414121105 433410129 /nfs/dbraw/zinc/41/01/29/433410129.db2.gz FZWHFBNIIZWPJF-OAHLLOKOSA-N 2 2 322.250 3.466 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](OCC4CC4)C3)cc2)c[nH+]1 ZINC000375308333 433420353 /nfs/dbraw/zinc/42/03/53/433420353.db2.gz JKHJPOIHNZLGPT-IBGZPJMESA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)cc2)c[nH+]1 ZINC000375308333 433420364 /nfs/dbraw/zinc/42/03/64/433420364.db2.gz JKHJPOIHNZLGPT-IBGZPJMESA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000292043943 433440755 /nfs/dbraw/zinc/44/07/55/433440755.db2.gz AWVIIBBKTMKAPW-GOSISDBHSA-N 2 2 311.429 3.121 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOC[C@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000292043943 433440762 /nfs/dbraw/zinc/44/07/62/433440762.db2.gz AWVIIBBKTMKAPW-GOSISDBHSA-N 2 2 311.429 3.121 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCC1 ZINC000355069448 433448867 /nfs/dbraw/zinc/44/88/67/433448867.db2.gz ZJUCCTLYCGKKBM-QAPCUYQASA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CCC1 ZINC000355069448 433448875 /nfs/dbraw/zinc/44/88/75/433448875.db2.gz ZJUCCTLYCGKKBM-QAPCUYQASA-N 2 2 314.473 3.189 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000414205159 433458045 /nfs/dbraw/zinc/45/80/45/433458045.db2.gz GXUFMTZDLOOWBX-SJLPKXTDSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000414205159 433458056 /nfs/dbraw/zinc/45/80/56/433458056.db2.gz GXUFMTZDLOOWBX-SJLPKXTDSA-N 2 2 312.461 3.046 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2s1 ZINC000426360901 433473667 /nfs/dbraw/zinc/47/36/67/433473667.db2.gz HFCKSPAGYLLVDW-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2s1 ZINC000426360901 433473679 /nfs/dbraw/zinc/47/36/79/433473679.db2.gz HFCKSPAGYLLVDW-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2s1 ZINC000426360901 433473691 /nfs/dbraw/zinc/47/36/91/433473691.db2.gz HFCKSPAGYLLVDW-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2s1 ZINC000426360901 433473700 /nfs/dbraw/zinc/47/37/00/433473700.db2.gz HFCKSPAGYLLVDW-HOCLYGCPSA-N 2 2 301.459 3.131 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261568531 290244955 /nfs/dbraw/zinc/24/49/55/290244955.db2.gz JHKLZXIOZRCHNL-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261568531 290244957 /nfs/dbraw/zinc/24/49/57/290244957.db2.gz JHKLZXIOZRCHNL-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000282060527 433482068 /nfs/dbraw/zinc/48/20/68/433482068.db2.gz GTJZUMFHIQNCBF-UHOSZYNNSA-N 2 2 304.478 3.393 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000414246284 433484462 /nfs/dbraw/zinc/48/44/62/433484462.db2.gz BIMQIOJBUBRSCW-CABCVRRESA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000414246284 433484473 /nfs/dbraw/zinc/48/44/73/433484473.db2.gz BIMQIOJBUBRSCW-CABCVRRESA-N 2 2 323.278 3.474 20 0 DGADLP CSCc1cnc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000339345677 433523360 /nfs/dbraw/zinc/52/33/60/433523360.db2.gz HZBPPWPSJIXIQL-CYBMUJFWSA-N 2 2 313.536 3.360 20 0 DGADLP Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc(C(C)C)[nH+]1 ZINC000339355922 433527039 /nfs/dbraw/zinc/52/70/39/433527039.db2.gz HROVYRQVQKXHCD-INIZCTEOSA-N 2 2 302.466 3.077 20 0 DGADLP CSCc1cnc(C[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000339349406 433527920 /nfs/dbraw/zinc/52/79/20/433527920.db2.gz QLIVZTJIUUDCJI-UHFFFAOYSA-N 2 2 313.536 3.218 20 0 DGADLP CSCc1cnc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000339372608 433538398 /nfs/dbraw/zinc/53/83/98/433538398.db2.gz HAOCGCCKZNXVKK-UHFFFAOYSA-N 2 2 313.536 3.218 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414254718 433488252 /nfs/dbraw/zinc/48/82/52/433488252.db2.gz ZURLSKZFQFFENN-UHFFFAOYSA-N 2 2 318.440 3.141 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301284246 433489507 /nfs/dbraw/zinc/48/95/07/433489507.db2.gz QWXXGGHQJDZDFZ-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301284246 433489523 /nfs/dbraw/zinc/48/95/23/433489523.db2.gz QWXXGGHQJDZDFZ-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301284248 433490837 /nfs/dbraw/zinc/49/08/37/433490837.db2.gz QWXXGGHQJDZDFZ-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301284248 433490848 /nfs/dbraw/zinc/49/08/48/433490848.db2.gz QWXXGGHQJDZDFZ-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP COc1ccc(F)c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000339282813 433494858 /nfs/dbraw/zinc/49/48/58/433494858.db2.gz BUAPYDTYDLJAFL-ZDUSSCGKSA-N 2 2 303.381 3.006 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+]Cc2ccc(C3CCC3)cc2)CCSC1 ZINC000339292150 433499845 /nfs/dbraw/zinc/49/98/45/433499845.db2.gz WVDTXXYKIYPDAG-GOSISDBHSA-N 2 2 304.503 3.481 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000414270865 433504272 /nfs/dbraw/zinc/50/42/72/433504272.db2.gz WQEKMHQTZABNSY-DOMZBBRYSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000414270865 433504277 /nfs/dbraw/zinc/50/42/77/433504277.db2.gz WQEKMHQTZABNSY-DOMZBBRYSA-N 2 2 311.267 3.187 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]CC2(c3ccccc3)CCCC2)n1C ZINC000414274729 433507202 /nfs/dbraw/zinc/50/72/02/433507202.db2.gz VLCRSOIARUIDLJ-UHFFFAOYSA-N 2 2 312.461 3.088 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000301427618 433549361 /nfs/dbraw/zinc/54/93/61/433549361.db2.gz PLZJCFJQWKEIHB-XJKSGUPXSA-N 2 2 302.447 3.342 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000301427618 433549369 /nfs/dbraw/zinc/54/93/69/433549369.db2.gz PLZJCFJQWKEIHB-XJKSGUPXSA-N 2 2 302.447 3.342 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414348756 433557982 /nfs/dbraw/zinc/55/79/82/433557982.db2.gz XQTRBDQWYHRMAH-DEWZPKMOSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000414348756 433557996 /nfs/dbraw/zinc/55/79/96/433557996.db2.gz XQTRBDQWYHRMAH-DEWZPKMOSA-N 2 2 300.446 3.014 20 0 DGADLP COc1cccc([C@@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)c1 ZINC000301446919 433562232 /nfs/dbraw/zinc/56/22/32/433562232.db2.gz QJBFWQRESQJEAC-QGZVFWFLSA-N 2 2 314.433 3.125 20 0 DGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)Cc1ccccc1 ZINC000301460773 433565134 /nfs/dbraw/zinc/56/51/34/433565134.db2.gz YXBWHOBKEPNSKQ-INIZCTEOSA-N 2 2 312.461 3.359 20 0 DGADLP c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000414357708 433568467 /nfs/dbraw/zinc/56/84/67/433568467.db2.gz JZKAPSCLEUXFTJ-NQIIRXRSSA-N 2 2 321.468 3.267 20 0 DGADLP c1ccc(C[C@H]2C[C@H]2[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414358889 433569927 /nfs/dbraw/zinc/56/99/27/433569927.db2.gz MWMWVBIMNQIIAA-PZJWPPBQSA-N 2 2 321.468 3.267 20 0 DGADLP c1ccc(C[C@@H]2C[C@H]2[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414358890 433570100 /nfs/dbraw/zinc/57/01/00/433570100.db2.gz MWMWVBIMNQIIAA-TZIWHRDSSA-N 2 2 321.468 3.267 20 0 DGADLP CCCc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351562409 433575937 /nfs/dbraw/zinc/57/59/37/433575937.db2.gz BBJJBVOCRYNPQW-UHFFFAOYSA-N 2 2 306.413 3.891 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCCC23CCOCC3)[nH+]c1 ZINC000282365103 433578472 /nfs/dbraw/zinc/57/84/72/433578472.db2.gz WIBDWCYRPHCHRX-MRXNPFEDSA-N 2 2 303.450 3.213 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1F ZINC000414376039 433581395 /nfs/dbraw/zinc/58/13/95/433581395.db2.gz GSZKAPHOGSFGCI-INIZCTEOSA-N 2 2 322.403 3.251 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1SC ZINC000339440460 433585595 /nfs/dbraw/zinc/58/55/95/433585595.db2.gz YJBOQDWBWOXUKS-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1SC ZINC000339440460 433585603 /nfs/dbraw/zinc/58/56/03/433585603.db2.gz YJBOQDWBWOXUKS-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1SC ZINC000339440460 433585612 /nfs/dbraw/zinc/58/56/12/433585612.db2.gz YJBOQDWBWOXUKS-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1SC ZINC000339440460 433585614 /nfs/dbraw/zinc/58/56/14/433585614.db2.gz YJBOQDWBWOXUKS-SFHVURJKSA-N 2 2 320.502 3.335 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000282383790 433590510 /nfs/dbraw/zinc/59/05/10/433590510.db2.gz XDNVBGZVCGICQN-LPHOPBHVSA-N 2 2 313.445 3.226 20 0 DGADLP CCc1ncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000414390953 433591252 /nfs/dbraw/zinc/59/12/52/433591252.db2.gz KFFHIMWGUXFBSL-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351511793 433543433 /nfs/dbraw/zinc/54/34/33/433543433.db2.gz DFVMBWYWBCRGEL-KYJSFNMBSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351511793 433543442 /nfs/dbraw/zinc/54/34/42/433543442.db2.gz DFVMBWYWBCRGEL-KYJSFNMBSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000351511793 433543449 /nfs/dbraw/zinc/54/34/49/433543449.db2.gz DFVMBWYWBCRGEL-KYJSFNMBSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351511793 433543458 /nfs/dbraw/zinc/54/34/58/433543458.db2.gz DFVMBWYWBCRGEL-KYJSFNMBSA-N 2 2 320.477 3.070 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301593833 433627571 /nfs/dbraw/zinc/62/75/71/433627571.db2.gz ZETJTQDHTANUGG-IYBDPMFKSA-N 2 2 313.445 3.454 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301593833 433627580 /nfs/dbraw/zinc/62/75/80/433627580.db2.gz ZETJTQDHTANUGG-IYBDPMFKSA-N 2 2 313.445 3.454 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308622 433636397 /nfs/dbraw/zinc/63/63/97/433636397.db2.gz GIEHXTSZRWCBHS-PYXOFJJQSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308622 433636402 /nfs/dbraw/zinc/63/64/02/433636402.db2.gz GIEHXTSZRWCBHS-PYXOFJJQSA-N 2 2 313.489 3.462 20 0 DGADLP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000351661456 433645519 /nfs/dbraw/zinc/64/55/19/433645519.db2.gz LUKJSOUUEYAKSR-GOSISDBHSA-N 2 2 314.473 3.108 20 0 DGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000351661456 433645528 /nfs/dbraw/zinc/64/55/28/433645528.db2.gz LUKJSOUUEYAKSR-GOSISDBHSA-N 2 2 314.473 3.108 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000351579865 433594691 /nfs/dbraw/zinc/59/46/91/433594691.db2.gz KQYAMBWLQDYIHY-WMLDXEAASA-N 2 2 310.869 3.082 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000351579865 433594697 /nfs/dbraw/zinc/59/46/97/433594697.db2.gz KQYAMBWLQDYIHY-WMLDXEAASA-N 2 2 310.869 3.082 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)sc2C1 ZINC000351580011 433595805 /nfs/dbraw/zinc/59/58/05/433595805.db2.gz AGDSXJRPNYNVSY-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)sc2C1 ZINC000351580011 433595815 /nfs/dbraw/zinc/59/58/15/433595815.db2.gz AGDSXJRPNYNVSY-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@H]1CCc2nc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)sc2C1 ZINC000351580011 433595823 /nfs/dbraw/zinc/59/58/23/433595823.db2.gz AGDSXJRPNYNVSY-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@H]1CCc2nc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000351580011 433595831 /nfs/dbraw/zinc/59/58/31/433595831.db2.gz AGDSXJRPNYNVSY-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282422969 433602952 /nfs/dbraw/zinc/60/29/52/433602952.db2.gz BSYIKXQPFWJLHI-SFHVURJKSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282422969 433602961 /nfs/dbraw/zinc/60/29/61/433602961.db2.gz BSYIKXQPFWJLHI-SFHVURJKSA-N 2 2 312.461 3.108 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342305222 433605698 /nfs/dbraw/zinc/60/56/98/433605698.db2.gz HIUJZKCJIKZINC-OXQOHEQNSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342305222 433605709 /nfs/dbraw/zinc/60/57/09/433605709.db2.gz HIUJZKCJIKZINC-OXQOHEQNSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000292922887 433605972 /nfs/dbraw/zinc/60/59/72/433605972.db2.gz LVADPAVWHLWHGU-GOSISDBHSA-N 2 2 315.461 3.253 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCCCC2)n1 ZINC000375890400 433606814 /nfs/dbraw/zinc/60/68/14/433606814.db2.gz SGXSKLIWSFBLRB-IXDOHACOSA-N 2 2 302.466 3.248 20 0 DGADLP c1c[nH]c([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCCC2)n1 ZINC000375890400 433606822 /nfs/dbraw/zinc/60/68/22/433606822.db2.gz SGXSKLIWSFBLRB-IXDOHACOSA-N 2 2 302.466 3.248 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(C)nn2)CC1 ZINC000414448563 433622257 /nfs/dbraw/zinc/62/22/57/433622257.db2.gz RYTOVBBRVDBICE-UHFFFAOYSA-N 2 2 321.428 3.280 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366212824 292924626 /nfs/dbraw/zinc/92/46/26/292924626.db2.gz XCYLYBILPGRXIC-WMLDXEAASA-N 2 2 311.429 3.355 20 0 DGADLP CCc1nc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342343957 433626344 /nfs/dbraw/zinc/62/63/44/433626344.db2.gz CDXKZGDSPVTOJQ-QGZVFWFLSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000342343957 433626352 /nfs/dbraw/zinc/62/63/52/433626352.db2.gz CDXKZGDSPVTOJQ-QGZVFWFLSA-N 2 2 324.472 3.448 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc3c(c1)OCO3)CCC2 ZINC000366229967 292926875 /nfs/dbraw/zinc/92/68/75/292926875.db2.gz KBNGSCGECNSYQK-DZGCQCFKSA-N 2 2 313.401 3.148 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(OC(F)F)cc1C ZINC000427112265 433654031 /nfs/dbraw/zinc/65/40/31/433654031.db2.gz AXGWMQLKJSXQPW-HIFRSBDPSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(OC(F)F)cc1C ZINC000427112265 433654042 /nfs/dbraw/zinc/65/40/42/433654042.db2.gz AXGWMQLKJSXQPW-HIFRSBDPSA-N 2 2 310.388 3.089 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCCCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC000293205101 433654090 /nfs/dbraw/zinc/65/40/90/433654090.db2.gz XZQKLGUQECEVMM-UHFFFAOYSA-N 3 2 312.461 3.228 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427111978 433654637 /nfs/dbraw/zinc/65/46/37/433654637.db2.gz XVAVRUVHIAGVIZ-QAPCUYQASA-N 2 2 300.446 3.192 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427111978 433654645 /nfs/dbraw/zinc/65/46/45/433654645.db2.gz XVAVRUVHIAGVIZ-QAPCUYQASA-N 2 2 300.446 3.192 20 0 DGADLP Clc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427118951 433656925 /nfs/dbraw/zinc/65/69/25/433656925.db2.gz CZTGQUKRNUJZQX-CJNGLKHVSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427118951 433656933 /nfs/dbraw/zinc/65/69/33/433656933.db2.gz CZTGQUKRNUJZQX-CJNGLKHVSA-N 2 2 301.821 3.072 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427107272 433657027 /nfs/dbraw/zinc/65/70/27/433657027.db2.gz JOAXHJITTFVRRT-IINYFYTJSA-N 2 2 315.244 3.186 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427107272 433657031 /nfs/dbraw/zinc/65/70/31/433657031.db2.gz JOAXHJITTFVRRT-IINYFYTJSA-N 2 2 315.244 3.186 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427136963 433660204 /nfs/dbraw/zinc/66/02/04/433660204.db2.gz NMIGOALTANITJG-WMLDXEAASA-N 2 2 319.880 3.124 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427136963 433660213 /nfs/dbraw/zinc/66/02/13/433660213.db2.gz NMIGOALTANITJG-WMLDXEAASA-N 2 2 319.880 3.124 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)c1 ZINC000427138198 433661731 /nfs/dbraw/zinc/66/17/31/433661731.db2.gz VUGFLPBHMQZWAG-WCQYABFASA-N 2 2 305.472 3.055 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)s2)c1 ZINC000427138198 433661741 /nfs/dbraw/zinc/66/17/41/433661741.db2.gz VUGFLPBHMQZWAG-WCQYABFASA-N 2 2 305.472 3.055 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351687148 433663794 /nfs/dbraw/zinc/66/37/94/433663794.db2.gz MMKRXBBANIGRDT-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351687148 433663801 /nfs/dbraw/zinc/66/38/01/433663801.db2.gz MMKRXBBANIGRDT-UHFFFAOYSA-N 2 2 305.466 3.175 20 0 DGADLP Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000356742250 433670622 /nfs/dbraw/zinc/67/06/22/433670622.db2.gz KREDELLWCCDZDX-CQSZACIVSA-N 2 2 304.463 3.685 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700015 433674630 /nfs/dbraw/zinc/67/46/30/433674630.db2.gz HSDJFGRXTCSYKF-MRXNPFEDSA-N 2 2 319.493 3.423 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700015 433674641 /nfs/dbraw/zinc/67/46/41/433674641.db2.gz HSDJFGRXTCSYKF-MRXNPFEDSA-N 2 2 319.493 3.423 20 0 DGADLP Cc1nc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301698724 433682167 /nfs/dbraw/zinc/68/21/67/433682167.db2.gz RFNCMBHOJPXHAB-INIZCTEOSA-N 2 2 302.397 3.256 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)[C@@H](O)C(C)C ZINC000414519388 433684693 /nfs/dbraw/zinc/68/46/93/433684693.db2.gz CFWQMISWRKIUIG-MSOLQXFVSA-N 2 2 301.434 3.066 20 0 DGADLP Cc1nc(NCC[N@@H+](C)Cc2ccc(F)cc2)c(C)c(C)[nH+]1 ZINC000301703324 433686641 /nfs/dbraw/zinc/68/66/41/433686641.db2.gz UMRPXDWOLNEVOR-UHFFFAOYSA-N 2 2 302.397 3.085 20 0 DGADLP Cc1nc(NCC[N@H+](C)Cc2ccc(F)cc2)c(C)c(C)[nH+]1 ZINC000301703324 433686654 /nfs/dbraw/zinc/68/66/54/433686654.db2.gz UMRPXDWOLNEVOR-UHFFFAOYSA-N 2 2 302.397 3.085 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1OCC ZINC000427099480 433649194 /nfs/dbraw/zinc/64/91/94/433649194.db2.gz HVYKQTKRMFKXDB-RDJZCZTQSA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1OCC ZINC000427099480 433649204 /nfs/dbraw/zinc/64/92/04/433649204.db2.gz HVYKQTKRMFKXDB-RDJZCZTQSA-N 2 2 318.461 3.058 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000367084342 293023101 /nfs/dbraw/zinc/02/31/01/293023101.db2.gz AICVHYGSHPLOSJ-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000367084342 293023104 /nfs/dbraw/zinc/02/31/04/293023104.db2.gz AICVHYGSHPLOSJ-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000367215122 293039444 /nfs/dbraw/zinc/03/94/44/293039444.db2.gz DEUBEXOTDPSIAF-IUODEOHRSA-N 2 2 314.364 3.247 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1n1cc[nH+]c1 ZINC000367215122 293039446 /nfs/dbraw/zinc/03/94/46/293039446.db2.gz DEUBEXOTDPSIAF-IUODEOHRSA-N 2 2 314.364 3.247 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000367229080 293040800 /nfs/dbraw/zinc/04/08/00/293040800.db2.gz ODKLCKGVHXFZOK-UHFFFAOYSA-N 2 2 318.509 3.315 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)CCO2 ZINC000367439367 293072512 /nfs/dbraw/zinc/07/25/12/293072512.db2.gz UCFABYOPUSEIOR-QGZVFWFLSA-N 2 2 311.429 3.395 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000367437156 293072664 /nfs/dbraw/zinc/07/26/64/293072664.db2.gz IDXNZEBGGXEPGC-CYBMUJFWSA-N 2 2 302.447 3.152 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000367438947 293072733 /nfs/dbraw/zinc/07/27/33/293072733.db2.gz QMVJFQDFLHYGAO-KRWDZBQOSA-N 2 2 316.493 3.224 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000367438947 293072734 /nfs/dbraw/zinc/07/27/34/293072734.db2.gz QMVJFQDFLHYGAO-KRWDZBQOSA-N 2 2 316.493 3.224 20 0 DGADLP Cc1ncsc1CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369900152 293145448 /nfs/dbraw/zinc/14/54/48/293145448.db2.gz MOHGRCQARIXNBC-OAHLLOKOSA-N 2 2 316.474 3.274 20 0 DGADLP Cc1ncsc1CC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369900152 293145449 /nfs/dbraw/zinc/14/54/49/293145449.db2.gz MOHGRCQARIXNBC-OAHLLOKOSA-N 2 2 316.474 3.274 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937036 293162710 /nfs/dbraw/zinc/16/27/10/293162710.db2.gz BGQYIVZBETUMDI-DBVUQKKJSA-N 2 2 316.489 3.444 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937036 293162711 /nfs/dbraw/zinc/16/27/11/293162711.db2.gz BGQYIVZBETUMDI-DBVUQKKJSA-N 2 2 316.489 3.444 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449046743 433707554 /nfs/dbraw/zinc/70/75/54/433707554.db2.gz LZAQDLZPXAJGNU-GUYCJALGSA-N 2 2 303.381 3.114 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449046743 433707560 /nfs/dbraw/zinc/70/75/60/433707560.db2.gz LZAQDLZPXAJGNU-GUYCJALGSA-N 2 2 303.381 3.114 20 0 DGADLP COc1cccc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000371690514 293225608 /nfs/dbraw/zinc/22/56/08/293225608.db2.gz XXRGEEGGOPETKK-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP FC(F)(F)CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356836226 433721813 /nfs/dbraw/zinc/72/18/13/433721813.db2.gz HEKPTNPWURGTHQ-UHFFFAOYSA-N 2 2 306.294 3.335 20 0 DGADLP Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000374246972 293371263 /nfs/dbraw/zinc/37/12/63/293371263.db2.gz CWWQSLLUKSFIEA-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000374246972 293371265 /nfs/dbraw/zinc/37/12/65/293371265.db2.gz CWWQSLLUKSFIEA-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000374316146 293383622 /nfs/dbraw/zinc/38/36/22/293383622.db2.gz NVFADRPFFQHSPV-MOPGFXCFSA-N 2 2 314.473 3.372 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050827 433713341 /nfs/dbraw/zinc/71/33/41/433713341.db2.gz VYKOKNYORXHPCR-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000449050827 433713347 /nfs/dbraw/zinc/71/33/47/433713347.db2.gz VYKOKNYORXHPCR-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000449050827 433713356 /nfs/dbraw/zinc/71/33/56/433713356.db2.gz VYKOKNYORXHPCR-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000449050827 433713363 /nfs/dbraw/zinc/71/33/63/433713363.db2.gz VYKOKNYORXHPCR-BEFAXECRSA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449060937 433714562 /nfs/dbraw/zinc/71/45/62/433714562.db2.gz GXXKRZUEDBZHFH-GFCCVEGCSA-N 2 2 300.368 3.269 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCOC1 ZINC000356829656 433718429 /nfs/dbraw/zinc/71/84/29/433718429.db2.gz AFFHNBCGRIOCED-YTQUADARSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000356840553 433725980 /nfs/dbraw/zinc/72/59/80/433725980.db2.gz FQCBXDSEICWDCQ-JYJNAYRXSA-N 2 2 308.491 3.290 20 0 DGADLP Cc1ccc(CCC[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c[nH+]1 ZINC000414566075 433730187 /nfs/dbraw/zinc/73/01/87/433730187.db2.gz WRJUTEZMWRLSCK-UHFFFAOYSA-N 2 2 314.473 3.099 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421801150 433736359 /nfs/dbraw/zinc/73/63/59/433736359.db2.gz KAQGCLPQJDQVPK-QUCCMNQESA-N 2 2 309.457 3.222 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421801148 433737769 /nfs/dbraw/zinc/73/77/69/433737769.db2.gz KAQGCLPQJDQVPK-AZUAARDMSA-N 2 2 309.457 3.222 20 0 DGADLP CO[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000356884864 433750161 /nfs/dbraw/zinc/75/01/61/433750161.db2.gz WWNHSPIWEMZGNH-CYBMUJFWSA-N 2 2 310.404 3.054 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)c1 ZINC000449616430 433756288 /nfs/dbraw/zinc/75/62/88/433756288.db2.gz CWLQCNZNKBSKJZ-DZUCGIPZSA-N 2 2 300.446 3.156 20 0 DGADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)c1 ZINC000449616430 433756298 /nfs/dbraw/zinc/75/62/98/433756298.db2.gz CWLQCNZNKBSKJZ-DZUCGIPZSA-N 2 2 300.446 3.156 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000421836143 433759456 /nfs/dbraw/zinc/75/94/56/433759456.db2.gz GMAVUWVOGPHPIF-SMDDNHRTSA-N 2 2 307.800 3.211 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862689 433760130 /nfs/dbraw/zinc/76/01/30/433760130.db2.gz PUNNYKRUAVBXEN-YPMHNXCESA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862689 433760138 /nfs/dbraw/zinc/76/01/38/433760138.db2.gz PUNNYKRUAVBXEN-YPMHNXCESA-N 2 2 305.422 3.118 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449630615 433760210 /nfs/dbraw/zinc/76/02/10/433760210.db2.gz NJAIWBWMFCTILR-QXGSTGNESA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449630615 433760214 /nfs/dbraw/zinc/76/02/14/433760214.db2.gz NJAIWBWMFCTILR-QXGSTGNESA-N 2 2 302.462 3.225 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000356901498 433762830 /nfs/dbraw/zinc/76/28/30/433762830.db2.gz PSNAVNVILUUESO-PWIZWCRZSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000356901498 433762839 /nfs/dbraw/zinc/76/28/39/433762839.db2.gz PSNAVNVILUUESO-PWIZWCRZSA-N 2 2 316.489 3.228 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293524510 433768662 /nfs/dbraw/zinc/76/86/62/433768662.db2.gz BHTMTDDEUGSEGL-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293524510 433768668 /nfs/dbraw/zinc/76/86/68/433768668.db2.gz BHTMTDDEUGSEGL-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293524510 433768670 /nfs/dbraw/zinc/76/86/70/433768670.db2.gz BHTMTDDEUGSEGL-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293524510 433768680 /nfs/dbraw/zinc/76/86/80/433768680.db2.gz BHTMTDDEUGSEGL-HXUWFJFHSA-N 2 2 324.472 3.098 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356844261 433725072 /nfs/dbraw/zinc/72/50/72/433725072.db2.gz HPHYSWMNJFPYBD-UHOSZYNNSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356844261 433725081 /nfs/dbraw/zinc/72/50/81/433725081.db2.gz HPHYSWMNJFPYBD-UHOSZYNNSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000449133616 433725541 /nfs/dbraw/zinc/72/55/41/433725541.db2.gz YYOLKIMNYVXRRS-WZGPROSRSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000449133616 433725547 /nfs/dbraw/zinc/72/55/47/433725547.db2.gz YYOLKIMNYVXRRS-WZGPROSRSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000414771428 433824060 /nfs/dbraw/zinc/82/40/60/433824060.db2.gz QWIMYFLUHHYXRR-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000414771428 433824068 /nfs/dbraw/zinc/82/40/68/433824068.db2.gz QWIMYFLUHHYXRR-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000283828313 433783244 /nfs/dbraw/zinc/78/32/44/433783244.db2.gz GQANJWBYWVXDSK-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000283828313 433783250 /nfs/dbraw/zinc/78/32/50/433783250.db2.gz GQANJWBYWVXDSK-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(F)c1 ZINC000375322923 293512662 /nfs/dbraw/zinc/51/26/62/293512662.db2.gz WKOLHKYBZVDIHI-LBPRGKRZSA-N 2 2 303.381 3.218 20 0 DGADLP CC[C@@H](C)[NH2+][C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1ccco1 ZINC000343257798 433791748 /nfs/dbraw/zinc/79/17/48/433791748.db2.gz ZCIWCAXSNNAEBO-DOMZBBRYSA-N 2 2 314.433 3.797 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000430596531 433792947 /nfs/dbraw/zinc/79/29/47/433792947.db2.gz WZRHCQYZRIOQMC-DLBZAZTESA-N 2 2 319.493 3.244 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000430596531 433792958 /nfs/dbraw/zinc/79/29/58/433792958.db2.gz WZRHCQYZRIOQMC-DLBZAZTESA-N 2 2 319.493 3.244 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430590134 433793109 /nfs/dbraw/zinc/79/31/09/433793109.db2.gz GZAHQTZALKQXNA-RDJZCZTQSA-N 2 2 319.493 3.442 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430590134 433793119 /nfs/dbraw/zinc/79/31/19/433793119.db2.gz GZAHQTZALKQXNA-RDJZCZTQSA-N 2 2 319.493 3.442 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000343672656 433824944 /nfs/dbraw/zinc/82/49/44/433824944.db2.gz WTIYHAYZMFQVPO-GDAAHCPNSA-N 2 2 302.462 3.084 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000343672656 433824958 /nfs/dbraw/zinc/82/49/58/433824958.db2.gz WTIYHAYZMFQVPO-GDAAHCPNSA-N 2 2 302.462 3.084 20 0 DGADLP COc1cc(C)[nH+]c(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000339819104 433804218 /nfs/dbraw/zinc/80/42/18/433804218.db2.gz DWHYDOCARVFQRM-NUJGCVRESA-N 2 2 317.477 3.236 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623160 433806133 /nfs/dbraw/zinc/80/61/33/433806133.db2.gz HEVKLRSGOGWMNV-OKZBNKHCSA-N 2 2 316.445 3.141 20 0 DGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(=O)OC)cc1 ZINC000293623160 433806140 /nfs/dbraw/zinc/80/61/40/433806140.db2.gz HEVKLRSGOGWMNV-OKZBNKHCSA-N 2 2 316.445 3.141 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000351943178 433808134 /nfs/dbraw/zinc/80/81/34/433808134.db2.gz KJTCMDLKSPZJDG-UHFFFAOYSA-N 2 2 318.465 3.332 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000343511336 433810510 /nfs/dbraw/zinc/81/05/10/433810510.db2.gz NOGSAJQRTGAYOV-GPMSIDNRSA-N 2 2 302.462 3.181 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000343511336 433810515 /nfs/dbraw/zinc/81/05/15/433810515.db2.gz NOGSAJQRTGAYOV-GPMSIDNRSA-N 2 2 302.462 3.181 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000351946421 433811748 /nfs/dbraw/zinc/81/17/48/433811748.db2.gz BOVLLIFBKATZTC-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000351946421 433811757 /nfs/dbraw/zinc/81/17/57/433811757.db2.gz BOVLLIFBKATZTC-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302032223 433813343 /nfs/dbraw/zinc/81/33/43/433813343.db2.gz CMMMRVFIXJAOFL-RDJZCZTQSA-N 2 2 316.493 3.438 20 0 DGADLP CCc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc(C)[nH+]1 ZINC000302032223 433813348 /nfs/dbraw/zinc/81/33/48/433813348.db2.gz CMMMRVFIXJAOFL-RDJZCZTQSA-N 2 2 316.493 3.438 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@H](C[NH3+])C1 ZINC000414762733 433819589 /nfs/dbraw/zinc/81/95/89/433819589.db2.gz AYPOWRFTTPGRJZ-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@H](C[NH3+])C1 ZINC000414762733 433819598 /nfs/dbraw/zinc/81/95/98/433819598.db2.gz AYPOWRFTTPGRJZ-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414839577 433873060 /nfs/dbraw/zinc/87/30/60/433873060.db2.gz LMYKXWNHOIENHL-KRWDZBQOSA-N 2 2 312.461 3.313 20 0 DGADLP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000414781307 433829486 /nfs/dbraw/zinc/82/94/86/433829486.db2.gz CFWLMIQZAUPOAP-WBMJQRKESA-N 2 2 302.418 3.348 20 0 DGADLP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000414781307 433829494 /nfs/dbraw/zinc/82/94/94/433829494.db2.gz CFWLMIQZAUPOAP-WBMJQRKESA-N 2 2 302.418 3.348 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414794329 433841549 /nfs/dbraw/zinc/84/15/49/433841549.db2.gz LVYBXGXICGNFRS-VIFPVBQESA-N 2 2 311.676 3.237 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2[nH+]1 ZINC000362736672 433841864 /nfs/dbraw/zinc/84/18/64/433841864.db2.gz NBUHGYCVGXDYJH-JSGCOSHPSA-N 2 2 314.433 3.042 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2[nH+]1 ZINC000362736672 433841872 /nfs/dbraw/zinc/84/18/72/433841872.db2.gz NBUHGYCVGXDYJH-JSGCOSHPSA-N 2 2 314.433 3.042 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456834626 433848814 /nfs/dbraw/zinc/84/88/14/433848814.db2.gz IAKXVEXGPPUOCY-UHFFFAOYSA-N 2 2 305.466 3.217 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414807981 433849137 /nfs/dbraw/zinc/84/91/37/433849137.db2.gz RRUXGCYEEBRLTA-UHFFFAOYSA-N 2 2 306.841 3.133 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000339905549 433849298 /nfs/dbraw/zinc/84/92/98/433849298.db2.gz NJAGSFPBTMBDSL-CYBMUJFWSA-N 2 2 309.335 3.428 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000339905549 433849307 /nfs/dbraw/zinc/84/93/07/433849307.db2.gz NJAGSFPBTMBDSL-CYBMUJFWSA-N 2 2 309.335 3.428 20 0 DGADLP C[NH2+]CC[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC000414820699 433857220 /nfs/dbraw/zinc/85/72/20/433857220.db2.gz CSEVIYSCXRETJB-UHFFFAOYSA-N 2 2 317.296 3.259 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799992 433866438 /nfs/dbraw/zinc/86/64/38/433866438.db2.gz ATGTVXUCJQYGMB-CXAGYDPISA-N 2 2 311.385 3.010 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799992 433866441 /nfs/dbraw/zinc/86/64/41/433866441.db2.gz ATGTVXUCJQYGMB-CXAGYDPISA-N 2 2 311.385 3.010 20 0 DGADLP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)c(OC(F)F)c1 ZINC000414833829 433868975 /nfs/dbraw/zinc/86/89/75/433868975.db2.gz AZFYDEHVUZCNIT-UHFFFAOYSA-N 2 2 314.376 3.048 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414832272 433869387 /nfs/dbraw/zinc/86/93/87/433869387.db2.gz OHPRLTVWQYPQEZ-OALUTQOASA-N 2 2 316.420 3.063 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302814060 433869806 /nfs/dbraw/zinc/86/98/06/433869806.db2.gz ZWKRWWYIXNZTNP-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302814060 433869823 /nfs/dbraw/zinc/86/98/23/433869823.db2.gz ZWKRWWYIXNZTNP-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302814060 433869836 /nfs/dbraw/zinc/86/98/36/433869836.db2.gz ZWKRWWYIXNZTNP-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302814060 433869847 /nfs/dbraw/zinc/86/98/47/433869847.db2.gz ZWKRWWYIXNZTNP-MRXNPFEDSA-N 2 2 317.481 3.143 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000414839637 433870824 /nfs/dbraw/zinc/87/08/24/433870824.db2.gz LRROORSVJAWLJY-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000414839636 433871109 /nfs/dbraw/zinc/87/11/09/433871109.db2.gz LRROORSVJAWLJY-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP C[C@H](CCNc1nc[nH+]c(N)c1Cl)[N@H+](C)Cc1ccccc1 ZINC000302876294 433895960 /nfs/dbraw/zinc/89/59/60/433895960.db2.gz FNNMWFMRDUACJW-GFCCVEGCSA-N 2 2 319.840 3.035 20 0 DGADLP C[C@H](CCNc1nc[nH+]c(N)c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000302876294 433895967 /nfs/dbraw/zinc/89/59/67/433895967.db2.gz FNNMWFMRDUACJW-GFCCVEGCSA-N 2 2 319.840 3.035 20 0 DGADLP C[C@H](CCNc1[nH+]cnc(N)c1Cl)[N@H+](C)Cc1ccccc1 ZINC000302876294 433895977 /nfs/dbraw/zinc/89/59/77/433895977.db2.gz FNNMWFMRDUACJW-GFCCVEGCSA-N 2 2 319.840 3.035 20 0 DGADLP C[C@H](CCNc1[nH+]cnc(N)c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000302876294 433895982 /nfs/dbraw/zinc/89/59/82/433895982.db2.gz FNNMWFMRDUACJW-GFCCVEGCSA-N 2 2 319.840 3.035 20 0 DGADLP Clc1sc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Br ZINC000414867062 433896158 /nfs/dbraw/zinc/89/61/58/433896158.db2.gz NXRDGIFGARFRJB-ZETCQYMHSA-N 2 2 309.660 3.006 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(C)c2)cc1 ZINC000414874305 433896214 /nfs/dbraw/zinc/89/62/14/433896214.db2.gz ASSIPXIXPAISLO-PMACEKPBSA-N 2 2 310.441 3.239 20 0 DGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414885264 433899357 /nfs/dbraw/zinc/89/93/57/433899357.db2.gz WRSBXBYYUBVKMZ-UHFFFAOYSA-N 2 2 312.461 3.141 20 0 DGADLP Cc1[nH+]ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1Cl ZINC000352082897 433905260 /nfs/dbraw/zinc/90/52/60/433905260.db2.gz MQTSXVCNHZPCLW-UHFFFAOYSA-N 2 2 316.767 3.402 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)s2)cc1 ZINC000414891115 433905399 /nfs/dbraw/zinc/90/53/99/433905399.db2.gz VBGNCTHESHLLLV-MSOLQXFVSA-N 2 2 316.470 3.300 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C/C=C/c2ccccc2)cc1 ZINC000414888368 433905436 /nfs/dbraw/zinc/90/54/36/433905436.db2.gz RHMAPOHVTOCQPI-UOBDRKKNSA-N 2 2 322.452 3.444 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901231 433910528 /nfs/dbraw/zinc/91/05/28/433910528.db2.gz FRWOCNJFIBYDCN-CQSZACIVSA-N 2 2 307.869 3.172 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293896375 433912650 /nfs/dbraw/zinc/91/26/50/433912650.db2.gz ZJVRSVRDQXQLNU-GJZGRUSLSA-N 3 2 300.450 3.029 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414922360 433917927 /nfs/dbraw/zinc/91/79/27/433917927.db2.gz FZGDXBNHZNQWSD-RNCFNFMXSA-N 2 2 306.759 3.446 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+]C[C@H]3[NH2+]CCCC3(C)C)s2)cn1 ZINC000414930238 433921938 /nfs/dbraw/zinc/92/19/38/433921938.db2.gz PPWSZHVAKIDLOM-MRXNPFEDSA-N 2 2 318.490 3.016 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@H]1C[NH3+] ZINC000422565138 433922590 /nfs/dbraw/zinc/92/25/90/433922590.db2.gz XSEYMZUYPNCSCS-JHJVBQTASA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C[C@H]1C[NH3+] ZINC000422565138 433922602 /nfs/dbraw/zinc/92/26/02/433922602.db2.gz XSEYMZUYPNCSCS-JHJVBQTASA-N 2 2 320.868 3.032 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936621 433924377 /nfs/dbraw/zinc/92/43/77/433924377.db2.gz GWUFULPNJXUEDG-RBUKOAKNSA-N 2 2 300.446 3.490 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414937878 433925362 /nfs/dbraw/zinc/92/53/62/433925362.db2.gz DSHQDBBGVQHWBQ-GUYCJALGSA-N 2 2 318.852 3.064 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293428 433928204 /nfs/dbraw/zinc/92/82/04/433928204.db2.gz MTPQLSBNSKBSRA-NVXWUHKLSA-N 2 2 324.509 3.493 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293428 433928211 /nfs/dbraw/zinc/92/82/11/433928211.db2.gz MTPQLSBNSKBSRA-NVXWUHKLSA-N 2 2 324.509 3.493 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293430 433930827 /nfs/dbraw/zinc/93/08/27/433930827.db2.gz MTPQLSBNSKBSRA-RDJZCZTQSA-N 2 2 324.509 3.493 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293430 433930833 /nfs/dbraw/zinc/93/08/33/433930833.db2.gz MTPQLSBNSKBSRA-RDJZCZTQSA-N 2 2 324.509 3.493 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422639634 433933715 /nfs/dbraw/zinc/93/37/15/433933715.db2.gz TZNWFDCWLQHTDI-MCIONIFRSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422639634 433933727 /nfs/dbraw/zinc/93/37/27/433933727.db2.gz TZNWFDCWLQHTDI-MCIONIFRSA-N 2 2 318.440 3.001 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCSC1 ZINC000436298395 433933925 /nfs/dbraw/zinc/93/39/25/433933925.db2.gz ZLMGYGRPVAXRSD-FHWLQOOXSA-N 2 2 318.530 3.425 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000435877942 433879713 /nfs/dbraw/zinc/87/97/13/433879713.db2.gz WOXXSALWFNQXIT-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000435877942 433879723 /nfs/dbraw/zinc/87/97/23/433879723.db2.gz WOXXSALWFNQXIT-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP CSc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844359 433880137 /nfs/dbraw/zinc/88/01/37/433880137.db2.gz KSRVICCUEMQLSB-LBPRGKRZSA-N 2 2 315.280 3.013 20 0 DGADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000414849666 433884255 /nfs/dbraw/zinc/88/42/55/433884255.db2.gz HNBKGLUHFHYWGB-ZFWWWQNUSA-N 2 2 301.459 3.288 20 0 DGADLP CC(C)c1nc(NCCc2c[nH+]cn2C)cc(C(C)(C)C)[nH+]1 ZINC000302866406 433888896 /nfs/dbraw/zinc/88/88/96/433888896.db2.gz YRFLJLRBUIDQDA-UHFFFAOYSA-N 2 2 301.438 3.286 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414860261 433892959 /nfs/dbraw/zinc/89/29/59/433892959.db2.gz CGLJMMSQJGQRDZ-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422707845 433941642 /nfs/dbraw/zinc/94/16/42/433941642.db2.gz IBTPYVMXUVIJOI-LMMKCTJWSA-N 2 2 304.478 3.439 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC1CCCC1 ZINC000422710408 433944171 /nfs/dbraw/zinc/94/41/71/433944171.db2.gz LEWSUNCEPZLKIL-RHSMWYFYSA-N 2 2 318.461 3.104 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)sc1Br ZINC000414964113 433945735 /nfs/dbraw/zinc/94/57/35/433945735.db2.gz YDYLYRGZVUZVQY-KOLCDFICSA-N 2 2 303.269 3.049 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422710953 433947356 /nfs/dbraw/zinc/94/73/56/433947356.db2.gz LZOPPXMDZAFFJU-RHSMWYFYSA-N 2 2 318.461 3.247 20 0 DGADLP COc1ccc2c(c1)OCC[C@@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000377660521 433949124 /nfs/dbraw/zinc/94/91/24/433949124.db2.gz XMDBZKGBABISCU-SFHVURJKSA-N 2 2 312.413 3.445 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000422720059 433950183 /nfs/dbraw/zinc/95/01/83/433950183.db2.gz RYZVFQYTOPPMNZ-SOLBZPMBSA-N 2 2 304.478 3.099 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000294002727 433961248 /nfs/dbraw/zinc/96/12/48/433961248.db2.gz CSJLSMCWUWIXFE-YJBOKZPZSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422735414 433961323 /nfs/dbraw/zinc/96/13/23/433961323.db2.gz UQRDFBSJUCMFCO-HJOIGYKYSA-N 3 2 303.494 3.223 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340182083 433962042 /nfs/dbraw/zinc/96/20/42/433962042.db2.gz PLLNMLSKTDCOFH-UXHICEINSA-N 3 2 315.505 3.288 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340182083 433962056 /nfs/dbraw/zinc/96/20/56/433962056.db2.gz PLLNMLSKTDCOFH-UXHICEINSA-N 3 2 315.505 3.288 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340180925 433963471 /nfs/dbraw/zinc/96/34/71/433963471.db2.gz HTNZNZFXSZQYHB-AZUAARDMSA-N 3 2 313.489 3.038 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340180925 433963479 /nfs/dbraw/zinc/96/34/79/433963479.db2.gz HTNZNZFXSZQYHB-AZUAARDMSA-N 3 2 313.489 3.038 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)c1cccc(OC)c1 ZINC000340180083 433966205 /nfs/dbraw/zinc/96/62/05/433966205.db2.gz BEJBAGSNEWWAJH-ZWKOTPCHSA-N 2 2 320.477 3.235 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422750621 433971148 /nfs/dbraw/zinc/97/11/48/433971148.db2.gz AEEHWEBOZZBSLR-APWZRJJASA-N 2 2 304.478 3.099 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422746434 433972557 /nfs/dbraw/zinc/97/25/57/433972557.db2.gz WLMKCTWEGVFMRN-PXNSSMCTSA-N 3 2 315.505 3.149 20 0 DGADLP COCc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1F ZINC000422758878 433976388 /nfs/dbraw/zinc/97/63/88/433976388.db2.gz JIHHVFWFDBHYTA-ZWKOTPCHSA-N 2 2 300.377 3.207 20 0 DGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436498798 433982190 /nfs/dbraw/zinc/98/21/90/433982190.db2.gz VXRGYGWAAMTZOR-UHFFFAOYSA-N 2 2 315.421 3.114 20 0 DGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436500009 433982946 /nfs/dbraw/zinc/98/29/46/433982946.db2.gz YRRILPQISYICOA-UHFFFAOYSA-N 2 2 315.421 3.066 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(F)c1F ZINC000378460662 293795959 /nfs/dbraw/zinc/79/59/59/293795959.db2.gz WVVMTLCWAXSSNG-LBPRGKRZSA-N 2 2 305.372 3.391 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000422775231 433989283 /nfs/dbraw/zinc/98/92/83/433989283.db2.gz ATDOQLDGGBDOII-NJAFHUGGSA-N 2 2 304.478 3.099 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)c2ccccc21 ZINC000422705118 433940071 /nfs/dbraw/zinc/94/00/71/433940071.db2.gz QXBJAFWCGFLTRM-YJBOKZPZSA-N 3 2 306.413 3.230 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352255987 434007079 /nfs/dbraw/zinc/00/70/79/434007079.db2.gz FLZXMJXOZOWNAL-ZDUSSCGKSA-N 2 2 319.474 3.373 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000340262026 434018887 /nfs/dbraw/zinc/01/88/87/434018887.db2.gz UQAOECIICWUCEQ-RTBURBONSA-N 3 2 324.472 3.309 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H]1c1ccccc1 ZINC000340262026 434018897 /nfs/dbraw/zinc/01/88/97/434018897.db2.gz UQAOECIICWUCEQ-RTBURBONSA-N 3 2 324.472 3.309 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260110 434019084 /nfs/dbraw/zinc/01/90/84/434019084.db2.gz PJYGPTRUZKOYRJ-XCRHUMRWSA-N 2 2 316.445 3.139 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260110 434019094 /nfs/dbraw/zinc/01/90/94/434019094.db2.gz PJYGPTRUZKOYRJ-XCRHUMRWSA-N 2 2 316.445 3.139 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340256990 434023346 /nfs/dbraw/zinc/02/33/46/434023346.db2.gz IYPVJDTXQPQCDG-YTQUADARSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@H](O)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340256990 434023357 /nfs/dbraw/zinc/02/33/57/434023357.db2.gz IYPVJDTXQPQCDG-YTQUADARSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397759750 293848685 /nfs/dbraw/zinc/84/86/85/293848685.db2.gz HRGBVSZFDDRCLN-LBPRGKRZSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422827080 434030466 /nfs/dbraw/zinc/03/04/66/434030466.db2.gz MQQTTYPSQKEBBA-HFBAOOFYSA-N 2 2 310.388 3.253 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(OC2CCCC2)c1 ZINC000422825526 434031888 /nfs/dbraw/zinc/03/18/88/434031888.db2.gz PWVUUPTUNGHXRL-RDTXWAMCSA-N 2 2 318.461 3.104 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281277 434033395 /nfs/dbraw/zinc/03/33/95/434033395.db2.gz OIPJOCKGMGVAMD-CVEARBPZSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281277 434033400 /nfs/dbraw/zinc/03/34/00/434033400.db2.gz OIPJOCKGMGVAMD-CVEARBPZSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000340281277 434033402 /nfs/dbraw/zinc/03/34/02/434033402.db2.gz OIPJOCKGMGVAMD-CVEARBPZSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cscn2)C1 ZINC000340281277 434033408 /nfs/dbraw/zinc/03/34/08/434033408.db2.gz OIPJOCKGMGVAMD-CVEARBPZSA-N 2 2 307.507 3.272 20 0 DGADLP CC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305125372 434044720 /nfs/dbraw/zinc/04/47/20/434044720.db2.gz KYSUEUCAYFIMFW-OAHLLOKOSA-N 2 2 310.869 3.055 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422779229 433995462 /nfs/dbraw/zinc/99/54/62/433995462.db2.gz FLLBUYMEVBMJSG-OAHLLOKOSA-N 3 2 312.461 3.187 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000422787528 433998061 /nfs/dbraw/zinc/99/80/61/433998061.db2.gz RLATZWDHAOILJQ-ZJNRKIDTSA-N 2 2 316.424 3.111 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000450269608 434067082 /nfs/dbraw/zinc/06/70/82/434067082.db2.gz NFDYBMIMRNFZEB-UHFFFAOYSA-N 2 2 322.522 3.359 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000450269608 434067094 /nfs/dbraw/zinc/06/70/94/434067094.db2.gz NFDYBMIMRNFZEB-UHFFFAOYSA-N 2 2 322.522 3.359 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000309870924 434100282 /nfs/dbraw/zinc/10/02/82/434100282.db2.gz GQNGBOKEDOPNKO-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000309870924 434100291 /nfs/dbraw/zinc/10/02/91/434100291.db2.gz GQNGBOKEDOPNKO-KBAYOESNSA-N 2 2 302.462 3.197 20 0 DGADLP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422871001 293914305 /nfs/dbraw/zinc/91/43/05/293914305.db2.gz YGHCSVOUJMPNNZ-WMZOPIPTSA-N 2 2 320.477 3.031 20 0 DGADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423204660 293915373 /nfs/dbraw/zinc/91/53/73/293915373.db2.gz OIXCJMJGLQCONG-HOSYDEDBSA-N 2 2 303.233 3.101 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000422878356 434078213 /nfs/dbraw/zinc/07/82/13/434078213.db2.gz STHPGTQQLAWIKZ-CCKFTAQKSA-N 2 2 320.452 3.414 20 0 DGADLP Cc1ccc(-c2nc(CC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)co2)cc1 ZINC000422879245 434078753 /nfs/dbraw/zinc/07/87/53/434078753.db2.gz LYFMYPWGQSOTIQ-YJBOKZPZSA-N 2 2 313.445 3.313 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)CCO1 ZINC000450283572 434080045 /nfs/dbraw/zinc/08/00/45/434080045.db2.gz JCKULBBFWXETQY-QKYXPGDISA-N 2 2 314.473 3.275 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)CCO1 ZINC000450283572 434080053 /nfs/dbraw/zinc/08/00/53/434080053.db2.gz JCKULBBFWXETQY-QKYXPGDISA-N 2 2 314.473 3.275 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000422885820 434083424 /nfs/dbraw/zinc/08/34/24/434083424.db2.gz HGPQEZCAWXQWSJ-LAUBAEHRSA-N 2 2 324.468 3.253 20 0 DGADLP CCn1cc[nH+]c1CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000353371877 434087613 /nfs/dbraw/zinc/08/76/13/434087613.db2.gz VJMFPUUYXDNOBT-UHFFFAOYSA-N 2 2 318.509 3.235 20 0 DGADLP CSCc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000294336271 434089572 /nfs/dbraw/zinc/08/95/72/434089572.db2.gz RWRCSJJYFNYSQB-JSGCOSHPSA-N 2 2 322.503 3.286 20 0 DGADLP CSCc1cnc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000294336271 434089583 /nfs/dbraw/zinc/08/95/83/434089583.db2.gz RWRCSJJYFNYSQB-JSGCOSHPSA-N 2 2 322.503 3.286 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422895537 434091439 /nfs/dbraw/zinc/09/14/39/434091439.db2.gz FZVNTLBYUJAAGN-FXAWDEMLSA-N 3 2 315.505 3.067 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422903501 434095353 /nfs/dbraw/zinc/09/53/53/434095353.db2.gz WGEINAACLYXERG-SNPRPXQTSA-N 2 2 302.418 3.159 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Br)cs1)c1c[nH+]ccc1N ZINC000422903189 434096502 /nfs/dbraw/zinc/09/65/02/434096502.db2.gz VSHPXXBPAZUVDK-QMMMGPOBSA-N 2 2 312.236 3.169 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)c2ccccc21 ZINC000422856538 434058101 /nfs/dbraw/zinc/05/81/01/434058101.db2.gz GGNSZLNMDJBHSS-MOPGFXCFSA-N 2 2 321.424 3.048 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397432 434106004 /nfs/dbraw/zinc/10/60/04/434106004.db2.gz ZWUVFHCTSUGXGP-QUCCMNQESA-N 2 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C[C@H]1c1ccccc1 ZINC000340397432 434106013 /nfs/dbraw/zinc/10/60/13/434106013.db2.gz ZWUVFHCTSUGXGP-QUCCMNQESA-N 2 2 320.440 3.259 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422917360 434106053 /nfs/dbraw/zinc/10/60/53/434106053.db2.gz DKBGUPHEZLZUEY-BZSNNMDCSA-N 2 2 300.377 3.248 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000422925328 434110668 /nfs/dbraw/zinc/11/06/68/434110668.db2.gz BKTRTWIOQAZPEI-COPLHBTASA-N 2 2 302.340 3.376 20 0 DGADLP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000378212672 434111140 /nfs/dbraw/zinc/11/11/40/434111140.db2.gz WTDXHHLSWWGYIS-QGZVFWFLSA-N 2 2 300.406 3.150 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000346100602 434114624 /nfs/dbraw/zinc/11/46/24/434114624.db2.gz SWRLPJLKESYSNN-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000346100602 434114630 /nfs/dbraw/zinc/11/46/30/434114630.db2.gz SWRLPJLKESYSNN-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP C[C@H]([NH2+]CCOc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422934838 434116676 /nfs/dbraw/zinc/11/66/76/434116676.db2.gz KGFGHUBRUAWMTG-LPHOPBHVSA-N 2 2 310.441 3.463 20 0 DGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422930034 434116772 /nfs/dbraw/zinc/11/67/72/434116772.db2.gz AUBKFTRVJOSSMJ-RKVPGOIHSA-N 2 2 317.477 3.291 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932354 434116885 /nfs/dbraw/zinc/11/68/85/434116885.db2.gz FNXYGSOLEDGWGV-LPHOPBHVSA-N 2 2 310.441 3.320 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346076737 434101148 /nfs/dbraw/zinc/10/11/48/434101148.db2.gz AVALLLYKZGUKOL-MAUKXSAKSA-N 2 2 323.440 3.423 20 0 DGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346076737 434101154 /nfs/dbraw/zinc/10/11/54/434101154.db2.gz AVALLLYKZGUKOL-MAUKXSAKSA-N 2 2 323.440 3.423 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000498368869 294058169 /nfs/dbraw/zinc/05/81/69/294058169.db2.gz FLPPIUCWGQCQMF-BLLLJJGKSA-N 2 2 310.844 3.441 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000498368869 294058173 /nfs/dbraw/zinc/05/81/73/294058173.db2.gz FLPPIUCWGQCQMF-BLLLJJGKSA-N 2 2 310.844 3.441 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000506140803 294263037 /nfs/dbraw/zinc/26/30/37/294263037.db2.gz JDLUJKQZFLHAJS-QGZVFWFLSA-N 2 2 314.477 3.387 20 0 DGADLP Cc1ccn2c(CN3CC[NH+](C4CCCCC4)CC3)c[nH+]c2c1 ZINC000506370674 294270245 /nfs/dbraw/zinc/27/02/45/294270245.db2.gz RNXHVRSNYVHSDG-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)Cc1ccccc1 ZINC000507508824 294302727 /nfs/dbraw/zinc/30/27/27/294302727.db2.gz KLTJGLAHJPKUSP-RLLQIKCJSA-N 2 2 318.505 3.344 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481040921 294317995 /nfs/dbraw/zinc/31/79/95/294317995.db2.gz AGEVOGRNKDQHGH-ZHALLVOQSA-N 2 2 304.478 3.473 20 0 DGADLP C[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000508981051 294337629 /nfs/dbraw/zinc/33/76/29/294337629.db2.gz ZLLHZQIBEUIIEN-RBUKOAKNSA-N 2 2 315.505 3.177 20 0 DGADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000508981051 294337632 /nfs/dbraw/zinc/33/76/32/294337632.db2.gz ZLLHZQIBEUIIEN-RBUKOAKNSA-N 2 2 315.505 3.177 20 0 DGADLP CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509020528 294338349 /nfs/dbraw/zinc/33/83/49/294338349.db2.gz FDYBNJACJWMTKN-QZTJIDSGSA-N 2 2 303.494 3.223 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437283 434133554 /nfs/dbraw/zinc/13/35/54/434133554.db2.gz DSUCBAZARKPMHN-RTBURBONSA-N 2 2 304.478 3.393 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437283 434133561 /nfs/dbraw/zinc/13/35/61/434133561.db2.gz DSUCBAZARKPMHN-RTBURBONSA-N 2 2 304.478 3.393 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422960767 434139377 /nfs/dbraw/zinc/13/93/77/434139377.db2.gz XRDLZLKYZSMOPI-LPHOPBHVSA-N 2 2 324.472 3.442 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422960769 434139607 /nfs/dbraw/zinc/13/96/07/434139607.db2.gz XRDLZLKYZSMOPI-VQIMIIECSA-N 2 2 324.472 3.442 20 0 DGADLP CC[C@H]([NH2+]Cc1cccnc1OC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422966420 434143504 /nfs/dbraw/zinc/14/35/04/434143504.db2.gz RKNGDVQBVWVRFG-IRXDYDNUSA-N 2 2 303.450 3.023 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422973833 434148966 /nfs/dbraw/zinc/14/89/66/434148966.db2.gz PQGFNUJXDQJZSO-ROUUACIJSA-N 2 2 311.429 3.495 20 0 DGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422976918 434149775 /nfs/dbraw/zinc/14/97/75/434149775.db2.gz DXBKMWAQFRRRBM-XKQJLSEDSA-N 2 2 310.869 3.018 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422976018 434150476 /nfs/dbraw/zinc/15/04/76/434150476.db2.gz UHWMVWPVSWRTIC-PBHICJAKSA-N 2 2 303.450 3.023 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000346145439 434151982 /nfs/dbraw/zinc/15/19/82/434151982.db2.gz HBTOSACXDNATHA-UHFFFAOYSA-N 2 2 318.509 3.384 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000346145439 434151992 /nfs/dbraw/zinc/15/19/92/434151992.db2.gz HBTOSACXDNATHA-UHFFFAOYSA-N 2 2 318.509 3.384 20 0 DGADLP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422997607 434156071 /nfs/dbraw/zinc/15/60/71/434156071.db2.gz ONXRSRCUDZPKHU-AKHDSKFASA-N 3 2 307.526 3.007 20 0 DGADLP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422997607 434156081 /nfs/dbraw/zinc/15/60/81/434156081.db2.gz ONXRSRCUDZPKHU-AKHDSKFASA-N 3 2 307.526 3.007 20 0 DGADLP CCCCn1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)n1 ZINC000423019213 434170463 /nfs/dbraw/zinc/17/04/63/434170463.db2.gz USDRUAPBOUQBGU-HNAYVOBHSA-N 2 2 314.477 3.040 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000423028616 434170870 /nfs/dbraw/zinc/17/08/70/434170870.db2.gz SSPUPRFONAKWMS-GPMSIDNRSA-N 2 2 304.478 3.098 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C)[C@H](C)C3)sc2C1 ZINC000346183572 434177738 /nfs/dbraw/zinc/17/77/38/434177738.db2.gz WIGPWXNHYLXSHF-ZIAGYGMSSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C)[C@H](C)C3)sc2C1 ZINC000346183572 434177745 /nfs/dbraw/zinc/17/77/45/434177745.db2.gz WIGPWXNHYLXSHF-ZIAGYGMSSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C)[C@H](C)C3)sc2C1 ZINC000346183572 434177749 /nfs/dbraw/zinc/17/77/49/434177749.db2.gz WIGPWXNHYLXSHF-ZIAGYGMSSA-N 2 2 307.507 3.388 20 0 DGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C)[C@H](C)C3)sc2C1 ZINC000346183572 434177755 /nfs/dbraw/zinc/17/77/55/434177755.db2.gz WIGPWXNHYLXSHF-ZIAGYGMSSA-N 2 2 307.507 3.388 20 0 DGADLP Clc1ccccc1O[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000378443540 434179821 /nfs/dbraw/zinc/17/98/21/434179821.db2.gz STLRBPDCLKPXOT-OAHLLOKOSA-N 2 2 319.836 3.470 20 0 DGADLP Clc1ccccc1O[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000378443540 434179831 /nfs/dbraw/zinc/17/98/31/434179831.db2.gz STLRBPDCLKPXOT-OAHLLOKOSA-N 2 2 319.836 3.470 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423038076 434180994 /nfs/dbraw/zinc/18/09/94/434180994.db2.gz CJXPOZYCJYGAOQ-CCKFTAQKSA-N 2 2 318.436 3.118 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295075909 434182352 /nfs/dbraw/zinc/18/23/52/434182352.db2.gz RKVJGDYLSLOELF-MQVJKMGUSA-N 2 2 312.461 3.161 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295075909 434182363 /nfs/dbraw/zinc/18/23/63/434182363.db2.gz RKVJGDYLSLOELF-MQVJKMGUSA-N 2 2 312.461 3.161 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423041732 434182958 /nfs/dbraw/zinc/18/29/58/434182958.db2.gz JOFJQNOUHZLAHH-WMZOPIPTSA-N 2 2 301.478 3.297 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000316206713 434184135 /nfs/dbraw/zinc/18/41/35/434184135.db2.gz MZNZOCXINGHTNN-MSOLQXFVSA-N 2 2 302.462 3.371 20 0 DGADLP c1ccc(-c2cnc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000423054866 434190608 /nfs/dbraw/zinc/19/06/08/434190608.db2.gz VKWZNEYKHCVVIM-CEXWTWQISA-N 2 2 322.456 3.154 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1c2ccccc2CCC[C@H]1C ZINC000423056279 434192625 /nfs/dbraw/zinc/19/26/25/434192625.db2.gz XXFJNIQBXQXBOE-LFEHRJTNSA-N 2 2 302.462 3.057 20 0 DGADLP CC[C@H]([NH2+]C[C@H](OC(C)C)c1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423053173 434194595 /nfs/dbraw/zinc/19/45/95/434194595.db2.gz RFDOXANREJIEGI-LNLFQRSKSA-N 2 2 320.477 3.282 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423065439 434197353 /nfs/dbraw/zinc/19/73/53/434197353.db2.gz UKUSFMKALVXFOD-YUELXQCFSA-N 2 2 300.368 3.453 20 0 DGADLP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)noc1-c1ccccc1 ZINC000514667650 294507741 /nfs/dbraw/zinc/50/77/41/294507741.db2.gz HBCDBRKYWGYLMZ-FGTMMUONSA-N 2 2 311.429 3.352 20 0 DGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1F ZINC000423086662 434209218 /nfs/dbraw/zinc/20/92/18/434209218.db2.gz NQVCLUCJSYUDDJ-QCZZGDTMSA-N 2 2 316.342 3.253 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000423091136 434214984 /nfs/dbraw/zinc/21/49/84/434214984.db2.gz WSUBQJMOETYDIW-LOWVWBTDSA-N 2 2 317.260 3.411 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(-c3ccccc3)[nH]1)CCC2 ZINC000364132024 434243103 /nfs/dbraw/zinc/24/31/03/434243103.db2.gz KEAJAAZPHQIJDH-INIZCTEOSA-N 2 2 321.428 3.249 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(-c3ccccc3)[nH]1)CCC2 ZINC000364132025 434243189 /nfs/dbraw/zinc/24/31/89/434243189.db2.gz KEAJAAZPHQIJDH-MRXNPFEDSA-N 2 2 321.428 3.249 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)CCC(C)C ZINC000515054190 294535312 /nfs/dbraw/zinc/53/53/12/294535312.db2.gz AKWVXXLSQFYFNF-INIZCTEOSA-N 2 2 303.450 3.122 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423150652 434246793 /nfs/dbraw/zinc/24/67/93/434246793.db2.gz BPFJTZWGKALPPX-IUODEOHRSA-N 2 2 323.362 3.149 20 0 DGADLP CC(C)CCn1nc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c2ccccc21 ZINC000423151941 434251631 /nfs/dbraw/zinc/25/16/31/434251631.db2.gz KWSSXGKUILZZQE-HZPDHXFCSA-N 2 2 300.450 3.052 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)Cc4ccccc43)cn2c1 ZINC000353591612 434257330 /nfs/dbraw/zinc/25/73/30/434257330.db2.gz XTAITMCZTYYICW-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)Cc4ccccc43)cn2c1 ZINC000353591612 434257335 /nfs/dbraw/zinc/25/73/35/434257335.db2.gz XTAITMCZTYYICW-UHFFFAOYSA-N 2 2 306.413 3.095 20 0 DGADLP CC[N@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000346675801 434259569 /nfs/dbraw/zinc/25/95/69/434259569.db2.gz QRBXIQWTDPKFAF-UHFFFAOYSA-N 2 2 310.445 3.726 20 0 DGADLP CC[N@@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000346675801 434259577 /nfs/dbraw/zinc/25/95/77/434259577.db2.gz QRBXIQWTDPKFAF-UHFFFAOYSA-N 2 2 310.445 3.726 20 0 DGADLP Cc1cc(NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nc[nH+]1 ZINC000346740192 434259631 /nfs/dbraw/zinc/25/96/31/434259631.db2.gz GZZDCESNEAPBNO-HOTGVXAUSA-N 2 2 324.472 3.875 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc12 ZINC000423173716 434259850 /nfs/dbraw/zinc/25/98/50/434259850.db2.gz ZUIAKRHZLWWHJA-UXHICEINSA-N 2 2 310.441 3.005 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1CNc1cc[nH+]c(C(C)C)n1 ZINC000346947274 434261931 /nfs/dbraw/zinc/26/19/31/434261931.db2.gz SHZFFRDWZVBGDS-UHFFFAOYSA-N 2 2 307.401 3.706 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167219 434262344 /nfs/dbraw/zinc/26/23/44/434262344.db2.gz DVEQMZIDCZMJKM-WMLDXEAASA-N 2 2 322.880 3.019 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423166883 434262736 /nfs/dbraw/zinc/26/27/36/434262736.db2.gz ZREXFBHVIXEOEF-WFASDCNBSA-N 2 2 323.362 3.149 20 0 DGADLP COc1cccc(OC)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000286422750 434263428 /nfs/dbraw/zinc/26/34/28/434263428.db2.gz IKPYYWLMEWPKLF-UHFFFAOYSA-N 2 2 315.417 3.081 20 0 DGADLP C[C@H](c1ccccc1F)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000340640101 434263549 /nfs/dbraw/zinc/26/35/49/434263549.db2.gz XWPNFMYNJCUFCX-HUUCEWRRSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H](c1ccccc1F)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000340640101 434263560 /nfs/dbraw/zinc/26/35/60/434263560.db2.gz XWPNFMYNJCUFCX-HUUCEWRRSA-N 2 2 306.425 3.072 20 0 DGADLP Clc1cnccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000380902549 434267664 /nfs/dbraw/zinc/26/76/64/434267664.db2.gz TYZULYHSSQFEJD-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OCC(F)(F)F)cc1 ZINC000423190006 434273164 /nfs/dbraw/zinc/27/31/64/434273164.db2.gz NCWUWKCLESDKIN-YPMHNXCESA-N 2 2 302.340 3.030 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000423106891 434225918 /nfs/dbraw/zinc/22/59/18/434225918.db2.gz ROOFGUMVZPQWTK-ZWKOTPCHSA-N 3 2 307.526 3.010 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000423124026 434232779 /nfs/dbraw/zinc/23/27/79/434232779.db2.gz NYYHYZNQQNKIIS-GFCCVEGCSA-N 2 2 305.372 3.291 20 0 DGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423125259 434233649 /nfs/dbraw/zinc/23/36/49/434233649.db2.gz QBUHEIJLBYQIBQ-AEGPPILISA-N 2 2 300.368 3.138 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000346251570 434235846 /nfs/dbraw/zinc/23/58/46/434235846.db2.gz KZRCYLHVUCEBHN-OAHLLOKOSA-N 2 2 319.836 3.388 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000295246492 434276781 /nfs/dbraw/zinc/27/67/81/434276781.db2.gz FLOWYHZSGQDUIL-CQSZACIVSA-N 2 2 308.853 3.353 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000353571018 434237325 /nfs/dbraw/zinc/23/73/25/434237325.db2.gz OKFDAKBELYOVCL-CYBMUJFWSA-N 2 2 314.882 3.089 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423131528 434238095 /nfs/dbraw/zinc/23/80/95/434238095.db2.gz ZYVGCTPIQCEOLW-ZWKOTPCHSA-N 2 2 320.477 3.141 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000295246492 434276786 /nfs/dbraw/zinc/27/67/86/434276786.db2.gz FLOWYHZSGQDUIL-CQSZACIVSA-N 2 2 308.853 3.353 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)[C@@H](C)C1 ZINC000357996731 434279984 /nfs/dbraw/zinc/27/99/84/434279984.db2.gz SPMKSYUVDRPRIN-DEYYWGMASA-N 2 2 315.461 3.026 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)[C@@H](C)C1 ZINC000357996731 434279992 /nfs/dbraw/zinc/27/99/92/434279992.db2.gz SPMKSYUVDRPRIN-DEYYWGMASA-N 2 2 315.461 3.026 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000325827499 434280146 /nfs/dbraw/zinc/28/01/46/434280146.db2.gz OIZZVRNVNOLFNZ-HZPDHXFCSA-N 2 2 320.436 3.209 20 0 DGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000325827499 434280152 /nfs/dbraw/zinc/28/01/52/434280152.db2.gz OIZZVRNVNOLFNZ-HZPDHXFCSA-N 2 2 320.436 3.209 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358004838 434281403 /nfs/dbraw/zinc/28/14/03/434281403.db2.gz LCKPIUJDHBPQEQ-DBVUQKKJSA-N 2 2 316.489 3.084 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358004838 434281411 /nfs/dbraw/zinc/28/14/11/434281411.db2.gz LCKPIUJDHBPQEQ-DBVUQKKJSA-N 2 2 316.489 3.084 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)c1 ZINC000358009161 434283886 /nfs/dbraw/zinc/28/38/86/434283886.db2.gz CIISAIAJSHZDEC-MPGHIAIKSA-N 2 2 317.477 3.101 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)c1 ZINC000358009161 434283894 /nfs/dbraw/zinc/28/38/94/434283894.db2.gz CIISAIAJSHZDEC-MPGHIAIKSA-N 2 2 317.477 3.101 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009262 434284624 /nfs/dbraw/zinc/28/46/24/434284624.db2.gz VEJYWZSIBKBCOW-UXHICEINSA-N 2 2 316.489 3.084 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000358009262 434284635 /nfs/dbraw/zinc/28/46/35/434284635.db2.gz VEJYWZSIBKBCOW-UXHICEINSA-N 2 2 316.489 3.084 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccc(F)cc2)cc1 ZINC000423279761 434333451 /nfs/dbraw/zinc/33/34/51/434333451.db2.gz SIGCVKDJNXBXOU-RBUKOAKNSA-N 2 2 316.420 3.497 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000358018209 434292773 /nfs/dbraw/zinc/29/27/73/434292773.db2.gz JHNSFKIXVNSFHJ-NKGKWGDASA-N 2 2 306.425 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC[N@H+]1C ZINC000358018209 434292781 /nfs/dbraw/zinc/29/27/81/434292781.db2.gz JHNSFKIXVNSFHJ-NKGKWGDASA-N 2 2 306.425 3.118 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccs1 ZINC000423223806 434293309 /nfs/dbraw/zinc/29/33/09/434293309.db2.gz ARTRPYSYFKQMDJ-AWEZNQCLSA-N 2 2 302.447 3.116 20 0 DGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423223159 434296380 /nfs/dbraw/zinc/29/63/80/434296380.db2.gz FBHUZZJXFIOGMU-CQSZACIVSA-N 2 2 302.393 3.275 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1ccn(C)n1 ZINC000423232358 434300384 /nfs/dbraw/zinc/30/03/84/434300384.db2.gz BZDLREZEXWFGMF-IAGOWNOFSA-N 2 2 300.450 3.284 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)Cc2nc3ccccc3n2C)c[nH+]1 ZINC000353645818 434300885 /nfs/dbraw/zinc/30/08/85/434300885.db2.gz CLNWLLVIYPMHGI-UHFFFAOYSA-N 2 2 308.429 3.341 20 0 DGADLP Cc1ccc(CCC[N@H+](C)Cc2nc3ccccc3n2C)c[nH+]1 ZINC000353645818 434300894 /nfs/dbraw/zinc/30/08/94/434300894.db2.gz CLNWLLVIYPMHGI-UHFFFAOYSA-N 2 2 308.429 3.341 20 0 DGADLP C[N@H+](Cc1ccc(Br)cc1Cl)C1CC([NH3+])C1 ZINC000384981891 434300982 /nfs/dbraw/zinc/30/09/82/434300982.db2.gz JPIJACNWESHEHJ-UHFFFAOYSA-N 2 2 303.631 3.024 20 0 DGADLP C[N@@H+](Cc1ccc(Br)cc1Cl)C1CC([NH3+])C1 ZINC000384981891 434300992 /nfs/dbraw/zinc/30/09/92/434300992.db2.gz JPIJACNWESHEHJ-UHFFFAOYSA-N 2 2 303.631 3.024 20 0 DGADLP c1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)cc1 ZINC000423232456 434301777 /nfs/dbraw/zinc/30/17/77/434301777.db2.gz MRHVJCXLGXDXBW-IBGZPJMESA-N 2 2 308.429 3.054 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccccc1 ZINC000423237279 434302529 /nfs/dbraw/zinc/30/25/29/434302529.db2.gz IAXXJZTWRCIYGR-DLBZAZTESA-N 2 2 300.377 3.329 20 0 DGADLP CCC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423237458 434303171 /nfs/dbraw/zinc/30/31/71/434303171.db2.gz TYLTWLALOLYZTF-GOSISDBHSA-N 2 2 310.445 3.445 20 0 DGADLP C[NH2+]CC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423234970 434306162 /nfs/dbraw/zinc/30/61/62/434306162.db2.gz ABPXAELBIUFSHK-AWEZNQCLSA-N 2 2 322.250 3.117 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1OC ZINC000423238703 434306440 /nfs/dbraw/zinc/30/64/40/434306440.db2.gz ASFLRKGOMSSZIE-RHSMWYFYSA-N 2 2 314.429 3.363 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)n1C ZINC000516980929 294646810 /nfs/dbraw/zinc/64/68/10/294646810.db2.gz DZLVQXPKKINBRD-IEBWSBKVSA-N 2 2 313.445 3.294 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC000353656639 434308372 /nfs/dbraw/zinc/30/83/72/434308372.db2.gz LSBIGQGDRMALIH-IBGZPJMESA-N 3 2 301.478 3.273 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC000353656639 434308379 /nfs/dbraw/zinc/30/83/79/434308379.db2.gz LSBIGQGDRMALIH-IBGZPJMESA-N 3 2 301.478 3.273 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCSC2)CCC1 ZINC000386815195 434313454 /nfs/dbraw/zinc/31/34/54/434313454.db2.gz FFYHMFOGZOBMMN-QGZVFWFLSA-N 2 2 304.503 3.384 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H]2CCSC2)CCC1 ZINC000386815195 434313460 /nfs/dbraw/zinc/31/34/60/434313460.db2.gz FFYHMFOGZOBMMN-QGZVFWFLSA-N 2 2 304.503 3.384 20 0 DGADLP CC[C@H](NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000423252614 434314840 /nfs/dbraw/zinc/31/48/40/434314840.db2.gz XUYUDMSWIAVFQC-SJORKVTESA-N 2 2 300.450 3.284 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340713812 434315616 /nfs/dbraw/zinc/31/56/16/434315616.db2.gz ORBWORIIJYTEOI-MRXNPFEDSA-N 2 2 318.852 3.347 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423250556 434316356 /nfs/dbraw/zinc/31/63/56/434316356.db2.gz ULLFRAUWSRAXDM-LBPRGKRZSA-N 2 2 306.841 3.094 20 0 DGADLP COC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000386899358 434317729 /nfs/dbraw/zinc/31/77/29/434317729.db2.gz OLPPJEXXUZARLX-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP COC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC000386899358 434317736 /nfs/dbraw/zinc/31/77/36/434317736.db2.gz OLPPJEXXUZARLX-SFHVURJKSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1COCC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386924379 434318949 /nfs/dbraw/zinc/31/89/49/434318949.db2.gz RZEVRKIGZDNDMZ-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1COCC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386924379 434318958 /nfs/dbraw/zinc/31/89/58/434318958.db2.gz RZEVRKIGZDNDMZ-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000423259397 434319358 /nfs/dbraw/zinc/31/93/58/434319358.db2.gz DQOURTZOROZDTA-PBHICJAKSA-N 3 2 300.450 3.205 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)c(C)c1OC ZINC000287276526 434319953 /nfs/dbraw/zinc/31/99/53/434319953.db2.gz CRMJNUXIQKGAMH-CQSZACIVSA-N 2 2 320.477 3.017 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000437703869 434320397 /nfs/dbraw/zinc/32/03/97/434320397.db2.gz XGRRBLRQPYNRRF-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000437703869 434320405 /nfs/dbraw/zinc/32/04/05/434320405.db2.gz XGRRBLRQPYNRRF-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000437703869 434320413 /nfs/dbraw/zinc/32/04/13/434320413.db2.gz XGRRBLRQPYNRRF-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000437703869 434320420 /nfs/dbraw/zinc/32/04/20/434320420.db2.gz XGRRBLRQPYNRRF-SJLPKXTDSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)c1[nH+]ccn1C ZINC000387308737 434321880 /nfs/dbraw/zinc/32/18/80/434321880.db2.gz BGADRAKGLDYFFD-MRXNPFEDSA-N 2 2 312.461 3.125 20 0 DGADLP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1[nH+]ccn1C ZINC000387308737 434321886 /nfs/dbraw/zinc/32/18/86/434321886.db2.gz BGADRAKGLDYFFD-MRXNPFEDSA-N 2 2 312.461 3.125 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423262215 434322191 /nfs/dbraw/zinc/32/21/91/434322191.db2.gz MAPBOTQTSAAXKC-HAGHYFMRSA-N 3 2 315.505 3.145 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423262215 434322201 /nfs/dbraw/zinc/32/22/01/434322201.db2.gz MAPBOTQTSAAXKC-HAGHYFMRSA-N 3 2 315.505 3.145 20 0 DGADLP COC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000423265714 434325386 /nfs/dbraw/zinc/32/53/86/434325386.db2.gz RGBPYNUTBNAHEF-HUUCEWRRSA-N 2 2 318.383 3.356 20 0 DGADLP COC(=O)c1csc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423271871 434328748 /nfs/dbraw/zinc/32/87/48/434328748.db2.gz YGTRKIRXVIBKME-RISCZKNCSA-N 2 2 310.463 3.093 20 0 DGADLP CO[C@@H]([C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323782 434330547 /nfs/dbraw/zinc/33/05/47/434330547.db2.gz YPPWGLQIHWAGNA-MNEFBYGVSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]([C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323782 434330554 /nfs/dbraw/zinc/33/05/54/434330554.db2.gz YPPWGLQIHWAGNA-MNEFBYGVSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cc([C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2cccnc2)ccc1F ZINC000423277377 434333058 /nfs/dbraw/zinc/33/30/58/434333058.db2.gz PLLQHVOKMVBSQS-MSOLQXFVSA-N 2 2 301.409 3.191 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000417353038 434362603 /nfs/dbraw/zinc/36/26/03/434362603.db2.gz HVBQHSOMBNHOQY-IAGOWNOFSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H]1[C@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390757662 434364470 /nfs/dbraw/zinc/36/44/70/434364470.db2.gz XHIFIHMAZYOQTG-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1[C@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390757662 434364475 /nfs/dbraw/zinc/36/44/75/434364475.db2.gz XHIFIHMAZYOQTG-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000423329359 434366447 /nfs/dbraw/zinc/36/64/47/434366447.db2.gz LJONUSQGXXIXTH-ZDUSSCGKSA-N 2 2 319.474 3.005 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423339461 434368096 /nfs/dbraw/zinc/36/80/96/434368096.db2.gz VCTMJUYOMIQSLT-HNAYVOBHSA-N 3 2 312.461 3.221 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287473611 434371245 /nfs/dbraw/zinc/37/12/45/434371245.db2.gz WMYOWEJJOIPENK-HJZRJOMTSA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287473611 434371254 /nfs/dbraw/zinc/37/12/54/434371254.db2.gz WMYOWEJJOIPENK-HJZRJOMTSA-N 2 2 302.462 3.197 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1 ZINC000353733577 434375819 /nfs/dbraw/zinc/37/58/19/434375819.db2.gz ADOHNIICGFPWFO-CHWSQXEVSA-N 2 2 317.458 3.021 20 0 DGADLP COc1ccc2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1 ZINC000353733577 434375829 /nfs/dbraw/zinc/37/58/29/434375829.db2.gz ADOHNIICGFPWFO-CHWSQXEVSA-N 2 2 317.458 3.021 20 0 DGADLP CCn1c2ccccc2[nH+]c1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000358382109 434391761 /nfs/dbraw/zinc/39/17/61/434391761.db2.gz OZSFNWXSWJUIDO-UHFFFAOYSA-N 2 2 323.444 3.908 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513870 434380212 /nfs/dbraw/zinc/38/02/12/434380212.db2.gz OGEINMCOALXCKY-VKJFTORMSA-N 2 2 319.468 3.244 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513870 434380217 /nfs/dbraw/zinc/38/02/17/434380217.db2.gz OGEINMCOALXCKY-VKJFTORMSA-N 2 2 319.468 3.244 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423275279 434335778 /nfs/dbraw/zinc/33/57/78/434335778.db2.gz LKWAMUOYFHPGMG-APPDUMDISA-N 2 2 318.852 3.222 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c(C)c1OC ZINC000353686334 434338936 /nfs/dbraw/zinc/33/89/36/434338936.db2.gz XBNZEZZFPULYSH-OFQRWUPVSA-N 2 2 306.450 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1OC ZINC000353686334 434338945 /nfs/dbraw/zinc/33/89/45/434338945.db2.gz XBNZEZZFPULYSH-OFQRWUPVSA-N 2 2 306.450 3.146 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423293770 434343680 /nfs/dbraw/zinc/34/36/80/434343680.db2.gz ASCVCLWBOKHNHM-BHIYHBOVSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293770 434343688 /nfs/dbraw/zinc/34/36/88/434343688.db2.gz ASCVCLWBOKHNHM-BHIYHBOVSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000423298361 434349249 /nfs/dbraw/zinc/34/92/49/434349249.db2.gz OEAJHWQYSWWEHW-SMDDNHRTSA-N 2 2 302.821 3.274 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871547 434351571 /nfs/dbraw/zinc/35/15/71/434351571.db2.gz PXWDEKCEZCSORD-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871547 434351581 /nfs/dbraw/zinc/35/15/81/434351581.db2.gz PXWDEKCEZCSORD-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423306390 434353194 /nfs/dbraw/zinc/35/31/94/434353194.db2.gz DYLXFZDJSIUELM-CYBMUJFWSA-N 2 2 301.356 3.067 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321290 434354126 /nfs/dbraw/zinc/35/41/26/434354126.db2.gz LHPGTLJAFXSGCN-LTIDMASMSA-N 2 2 322.518 3.187 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321290 434354138 /nfs/dbraw/zinc/35/41/38/434354138.db2.gz LHPGTLJAFXSGCN-LTIDMASMSA-N 2 2 322.518 3.187 20 0 DGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423317337 434357652 /nfs/dbraw/zinc/35/76/52/434357652.db2.gz KLSSHCOUOINLFI-PELKAZGASA-N 2 2 304.768 3.329 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748481 434393317 /nfs/dbraw/zinc/39/33/17/434393317.db2.gz PTOISGHOOIXXLL-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748481 434393325 /nfs/dbraw/zinc/39/33/25/434393325.db2.gz PTOISGHOOIXXLL-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748481 434393329 /nfs/dbraw/zinc/39/33/29/434393329.db2.gz PTOISGHOOIXXLL-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2OC)C[C@@H]1C ZINC000353748481 434393337 /nfs/dbraw/zinc/39/33/37/434393337.db2.gz PTOISGHOOIXXLL-HOCLYGCPSA-N 2 2 306.450 3.008 20 0 DGADLP CC(C)[C@@H](C[NH2+]CC[C@@H]1CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000438078584 434393971 /nfs/dbraw/zinc/39/39/71/434393971.db2.gz VXUHQOVPWNDWPP-YLJYHZDGSA-N 2 2 316.489 3.086 20 0 DGADLP CC(C)[C@@H](C[NH2+]CC[C@@H]1CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000438078584 434393978 /nfs/dbraw/zinc/39/39/78/434393978.db2.gz VXUHQOVPWNDWPP-YLJYHZDGSA-N 2 2 316.489 3.086 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000353749065 434396127 /nfs/dbraw/zinc/39/61/27/434396127.db2.gz JONXJNZTVDAUAV-YOEHRIQHSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1C ZINC000353749065 434396136 /nfs/dbraw/zinc/39/61/36/434396136.db2.gz JONXJNZTVDAUAV-YOEHRIQHSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1C ZINC000353749065 434396144 /nfs/dbraw/zinc/39/61/44/434396144.db2.gz JONXJNZTVDAUAV-YOEHRIQHSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1C ZINC000353749065 434396152 /nfs/dbraw/zinc/39/61/52/434396152.db2.gz JONXJNZTVDAUAV-YOEHRIQHSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000353748844 434396666 /nfs/dbraw/zinc/39/66/66/434396666.db2.gz JONXJNZTVDAUAV-PBHICJAKSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1C ZINC000353748844 434396671 /nfs/dbraw/zinc/39/66/71/434396671.db2.gz JONXJNZTVDAUAV-PBHICJAKSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1C ZINC000353748844 434396679 /nfs/dbraw/zinc/39/66/79/434396679.db2.gz JONXJNZTVDAUAV-PBHICJAKSA-N 2 2 306.498 3.215 20 0 DGADLP CCCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1C ZINC000353748844 434396688 /nfs/dbraw/zinc/39/66/88/434396688.db2.gz JONXJNZTVDAUAV-PBHICJAKSA-N 2 2 306.498 3.215 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000393660683 434397629 /nfs/dbraw/zinc/39/76/29/434397629.db2.gz XQPORTWWLCUFKF-RDJZCZTQSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000393660683 434397640 /nfs/dbraw/zinc/39/76/40/434397640.db2.gz XQPORTWWLCUFKF-RDJZCZTQSA-N 2 2 304.478 3.036 20 0 DGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423384598 434398057 /nfs/dbraw/zinc/39/80/57/434398057.db2.gz KCMJWMXQYOJDMB-KDOFPFPSSA-N 2 2 320.477 3.441 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000393660690 434398838 /nfs/dbraw/zinc/39/88/38/434398838.db2.gz XQPORTWWLCUFKF-WBVHZDCISA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000393660690 434398844 /nfs/dbraw/zinc/39/88/44/434398844.db2.gz XQPORTWWLCUFKF-WBVHZDCISA-N 2 2 304.478 3.036 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752303 434400669 /nfs/dbraw/zinc/40/06/69/434400669.db2.gz RZROOEOSIRHDQC-RDJZCZTQSA-N 2 2 318.461 3.153 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752303 434400676 /nfs/dbraw/zinc/40/06/76/434400676.db2.gz RZROOEOSIRHDQC-RDJZCZTQSA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752303 434400686 /nfs/dbraw/zinc/40/06/86/434400686.db2.gz RZROOEOSIRHDQC-RDJZCZTQSA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2OCCCO3)C[C@@H]1C ZINC000353752303 434400692 /nfs/dbraw/zinc/40/06/92/434400692.db2.gz RZROOEOSIRHDQC-RDJZCZTQSA-N 2 2 318.461 3.153 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423395415 434400659 /nfs/dbraw/zinc/40/06/59/434400659.db2.gz SODBJNVLVOFLDX-GDBMZVCRSA-N 2 2 306.425 3.189 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(C)c1OC ZINC000423399654 434401617 /nfs/dbraw/zinc/40/16/17/434401617.db2.gz WMOPUPFKQJHUJB-WMLDXEAASA-N 2 2 320.477 3.441 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cnn1C(C)(C)C ZINC000423392409 434402564 /nfs/dbraw/zinc/40/25/64/434402564.db2.gz QKCAXJCIBAJGLQ-CZUORRHYSA-N 2 2 306.498 3.375 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)cn1 ZINC000287592309 434404169 /nfs/dbraw/zinc/40/41/69/434404169.db2.gz ICPBBFLBCPOSNO-CYBMUJFWSA-N 2 2 309.429 3.000 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423400698 434404925 /nfs/dbraw/zinc/40/49/25/434404925.db2.gz XAFRONSHXSADPE-DYVFJYSZSA-N 2 2 306.450 3.133 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(F)cn1 ZINC000287585716 434405412 /nfs/dbraw/zinc/40/54/12/434405412.db2.gz HQSWDXDXIUYSMN-UONOGXRCSA-N 2 2 309.429 3.000 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(F)cn1 ZINC000287585716 434405424 /nfs/dbraw/zinc/40/54/24/434405424.db2.gz HQSWDXDXIUYSMN-UONOGXRCSA-N 2 2 309.429 3.000 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423404654 434408066 /nfs/dbraw/zinc/40/80/66/434408066.db2.gz ZZANOUWRPWQEBJ-QAPCUYQASA-N 2 2 318.461 3.059 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)CC[N@@H+]1C ZINC000394955211 434410425 /nfs/dbraw/zinc/41/04/25/434410425.db2.gz FZIRBSGYBBVEFB-ZYHUDNBSSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)CC[N@H+]1C ZINC000394955211 434410431 /nfs/dbraw/zinc/41/04/31/434410431.db2.gz FZIRBSGYBBVEFB-ZYHUDNBSSA-N 2 2 315.230 3.161 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626635 434411548 /nfs/dbraw/zinc/41/15/48/434411548.db2.gz KBCWUJGPXDVNHW-IUODEOHRSA-N 2 2 314.832 3.098 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626635 434411557 /nfs/dbraw/zinc/41/15/57/434411557.db2.gz KBCWUJGPXDVNHW-IUODEOHRSA-N 2 2 314.832 3.098 20 0 DGADLP CCn1cc[nH+]c1[C@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423407628 434412700 /nfs/dbraw/zinc/41/27/00/434412700.db2.gz WDXBMDWDUBFTSN-KSSFIOAISA-N 2 2 308.429 3.407 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423416280 434412780 /nfs/dbraw/zinc/41/27/80/434412780.db2.gz FQWARLQPNLVWRE-XPGWFJOJSA-N 2 2 310.441 3.239 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CCCC[NH2+]1 ZINC000395126898 434414553 /nfs/dbraw/zinc/41/45/53/434414553.db2.gz OJPKRFVLJYQHFS-SKDRFNHKSA-N 2 2 303.269 3.131 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395141100 434414919 /nfs/dbraw/zinc/41/49/19/434414919.db2.gz HKYXVCPMKUNVJP-DFQSSKMNSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395141100 434414924 /nfs/dbraw/zinc/41/49/24/434414924.db2.gz HKYXVCPMKUNVJP-DFQSSKMNSA-N 3 2 315.505 3.019 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423416872 434415180 /nfs/dbraw/zinc/41/51/80/434415180.db2.gz RKRAJDRDOKKWPY-VQIMIIECSA-N 2 2 320.477 3.285 20 0 DGADLP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000438116848 434416035 /nfs/dbraw/zinc/41/60/35/434416035.db2.gz KLLUYLAAXVYCTO-CQSZACIVSA-N 2 2 316.474 3.056 20 0 DGADLP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000438116848 434416043 /nfs/dbraw/zinc/41/60/43/434416043.db2.gz KLLUYLAAXVYCTO-CQSZACIVSA-N 2 2 316.474 3.056 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000423417079 434416913 /nfs/dbraw/zinc/41/69/13/434416913.db2.gz GMRKBKMAXOVSGN-WFASDCNBSA-N 2 2 316.367 3.125 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)CCC[NH2+]1 ZINC000423427237 434418538 /nfs/dbraw/zinc/41/85/38/434418538.db2.gz NNZFVGHLKPETLL-XHDPSFHLSA-N 2 2 317.260 3.413 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000423426123 434420338 /nfs/dbraw/zinc/42/03/38/434420338.db2.gz MTDHKZQUYABSNB-DYVFJYSZSA-N 2 2 311.385 3.201 20 0 DGADLP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)nc(C)[nH+]1 ZINC000450812381 434421781 /nfs/dbraw/zinc/42/17/81/434421781.db2.gz QBKJBBCLLSAIAQ-OAHLLOKOSA-N 2 2 310.445 3.052 20 0 DGADLP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)nc(C)[nH+]1 ZINC000450812381 434421786 /nfs/dbraw/zinc/42/17/86/434421786.db2.gz QBKJBBCLLSAIAQ-OAHLLOKOSA-N 2 2 310.445 3.052 20 0 DGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445875 434429654 /nfs/dbraw/zinc/42/96/54/434429654.db2.gz YELOVXKBCJLYMR-DLTWYDFYSA-N 2 2 308.853 3.243 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000397371876 434434774 /nfs/dbraw/zinc/43/47/74/434434774.db2.gz BYSYHFRVZBSBGO-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000397371876 434434779 /nfs/dbraw/zinc/43/47/79/434434779.db2.gz BYSYHFRVZBSBGO-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490712 434436389 /nfs/dbraw/zinc/43/63/89/434436389.db2.gz PRJRRSPSNGQZJE-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490712 434436396 /nfs/dbraw/zinc/43/63/96/434436396.db2.gz PRJRRSPSNGQZJE-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490712 434436408 /nfs/dbraw/zinc/43/64/08/434436408.db2.gz PRJRRSPSNGQZJE-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490712 434436414 /nfs/dbraw/zinc/43/64/14/434436414.db2.gz PRJRRSPSNGQZJE-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000397371873 434437219 /nfs/dbraw/zinc/43/72/19/434437219.db2.gz BYSYHFRVZBSBGO-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000397371873 434437226 /nfs/dbraw/zinc/43/72/26/434437226.db2.gz BYSYHFRVZBSBGO-AGIUHOORSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000397427364 434437433 /nfs/dbraw/zinc/43/74/33/434437433.db2.gz XGBKWVNCNFRAPV-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000397427364 434437437 /nfs/dbraw/zinc/43/74/37/434437437.db2.gz XGBKWVNCNFRAPV-FRRDWIJNSA-N 2 2 305.447 3.208 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423474578 434439139 /nfs/dbraw/zinc/43/91/39/434439139.db2.gz RIMCXXVUUXEKJC-IYWMVGAKSA-N 3 2 315.505 3.004 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423474578 434439148 /nfs/dbraw/zinc/43/91/48/434439148.db2.gz RIMCXXVUUXEKJC-IYWMVGAKSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Cc1ccccc1 ZINC000295871546 434439555 /nfs/dbraw/zinc/43/95/55/434439555.db2.gz CQYKUHHTAQYHLB-UXHICEINSA-N 2 2 310.441 3.238 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1)Cc1ccccc1 ZINC000295871546 434439564 /nfs/dbraw/zinc/43/95/64/434439564.db2.gz CQYKUHHTAQYHLB-UXHICEINSA-N 2 2 310.441 3.238 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423497850 434459625 /nfs/dbraw/zinc/45/96/25/434459625.db2.gz HMOLXIQODCAYOY-QZTJIDSGSA-N 2 2 302.462 3.188 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000423501204 434459776 /nfs/dbraw/zinc/45/97/76/434459776.db2.gz LBZFUFQVCYVDQV-GUYCJALGSA-N 2 2 314.429 3.314 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423496492 434461206 /nfs/dbraw/zinc/46/12/06/434461206.db2.gz FAGLIUZFGAPUCR-PWIZWCRZSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423496492 434461214 /nfs/dbraw/zinc/46/12/14/434461214.db2.gz FAGLIUZFGAPUCR-PWIZWCRZSA-N 3 2 315.505 3.004 20 0 DGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502335 434461360 /nfs/dbraw/zinc/46/13/60/434461360.db2.gz FESHUJKFNOOFRR-PCCBWWKXSA-N 2 2 322.452 3.418 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000423498795 434462589 /nfs/dbraw/zinc/46/25/89/434462589.db2.gz CELPPVUKCYJKKX-IINYFYTJSA-N 2 2 303.233 3.023 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000423509618 434463674 /nfs/dbraw/zinc/46/36/74/434463674.db2.gz RRTNPRLUDRRJFL-RBUKOAKNSA-N 2 2 320.440 3.351 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000423512471 434464211 /nfs/dbraw/zinc/46/42/11/434464211.db2.gz UQWPQSBPFIYHRZ-SJKOYZFVSA-N 2 2 317.408 3.142 20 0 DGADLP Cc1ccccc1C[NH+]1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000348744773 434467687 /nfs/dbraw/zinc/46/76/87/434467687.db2.gz SJAHNLTWNGIGJY-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(SC2CCCC2)cc1 ZINC000423516192 434469523 /nfs/dbraw/zinc/46/95/23/434469523.db2.gz GHPPFGOWDIIRHZ-GDBMZVCRSA-N 2 2 320.502 3.360 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[NH+]3CC[C@H]3CCC[N@H+]3C)nc2c1 ZINC000295996513 434469964 /nfs/dbraw/zinc/46/99/64/434469964.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[NH+]3CC[C@H]3CCC[N@@H+]3C)nc2c1 ZINC000295996513 434469975 /nfs/dbraw/zinc/46/99/75/434469975.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CC[C@H]3CCC[NH+]3C)nc2c1 ZINC000295996513 434469986 /nfs/dbraw/zinc/46/99/86/434469986.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CC[C@H]3CCC[NH+]3C)nc2c1 ZINC000295996513 434469995 /nfs/dbraw/zinc/46/99/95/434469995.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[NH+]3CC[C@H]3CCC[N@H+]3C)[nH]c2c1 ZINC000295996513 434470004 /nfs/dbraw/zinc/47/00/04/434470004.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[NH+]3CC[C@H]3CCC[N@@H+]3C)[nH]c2c1 ZINC000295996513 434470009 /nfs/dbraw/zinc/47/00/09/434470009.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@H+]3CC[C@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996513 434470016 /nfs/dbraw/zinc/47/00/16/434470016.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@@H+]3CC[C@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996513 434470020 /nfs/dbraw/zinc/47/00/20/434470020.db2.gz PLYLTPRZQPGLOG-QAPCUYQASA-N 2 2 312.461 3.493 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423514893 434470517 /nfs/dbraw/zinc/47/05/17/434470517.db2.gz XBYMRRXHEBNYGF-FCGDIQPGSA-N 2 2 314.473 3.186 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423514901 434471192 /nfs/dbraw/zinc/47/11/92/434471192.db2.gz XBYMRRXHEBNYGF-YDZRNGNQSA-N 2 2 314.473 3.186 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[NH+]3CC[C@@H]3CCC[N@H+]3C)nc2c1 ZINC000295996507 434472140 /nfs/dbraw/zinc/47/21/40/434472140.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[NH+]3CC[C@@H]3CCC[N@@H+]3C)nc2c1 ZINC000295996507 434472145 /nfs/dbraw/zinc/47/21/45/434472145.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CC[C@@H]3CCC[NH+]3C)nc2c1 ZINC000295996507 434472152 /nfs/dbraw/zinc/47/21/52/434472152.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC[C@@H]3CCC[NH+]3C)nc2c1 ZINC000295996507 434472159 /nfs/dbraw/zinc/47/21/59/434472159.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[NH+]3CC[C@@H]3CCC[N@H+]3C)[nH]c2c1 ZINC000295996507 434472165 /nfs/dbraw/zinc/47/21/65/434472165.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[NH+]3CC[C@@H]3CCC[N@@H+]3C)[nH]c2c1 ZINC000295996507 434472172 /nfs/dbraw/zinc/47/21/72/434472172.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@H+]3CC[C@@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996507 434472177 /nfs/dbraw/zinc/47/21/77/434472177.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@@H+]3CC[C@@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996507 434472183 /nfs/dbraw/zinc/47/21/83/434472183.db2.gz PLYLTPRZQPGLOG-MAUKXSAKSA-N 2 2 312.461 3.493 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1Cl ZINC000423525989 434474060 /nfs/dbraw/zinc/47/40/60/434474060.db2.gz USOXESZHCSILNK-GHMZBOCLSA-N 2 2 303.233 3.023 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000360030371 434485015 /nfs/dbraw/zinc/48/50/15/434485015.db2.gz WGUTUEAQIKPORW-OALUTQOASA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCOCC1)C1CC1 ZINC000360030371 434485023 /nfs/dbraw/zinc/48/50/23/434485023.db2.gz WGUTUEAQIKPORW-OALUTQOASA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000398026202 434452708 /nfs/dbraw/zinc/45/27/08/434452708.db2.gz LZLYYIIFKBIYTD-WZGPROSRSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000398026202 434452718 /nfs/dbraw/zinc/45/27/18/434452718.db2.gz LZLYYIIFKBIYTD-WZGPROSRSA-N 2 2 302.462 3.197 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000340961014 434454251 /nfs/dbraw/zinc/45/42/51/434454251.db2.gz WAEBYSSDQBKNED-UHFFFAOYSA-N 2 2 308.853 3.191 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000340961014 434454262 /nfs/dbraw/zinc/45/42/62/434454262.db2.gz WAEBYSSDQBKNED-UHFFFAOYSA-N 2 2 308.853 3.191 20 0 DGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423492896 434456905 /nfs/dbraw/zinc/45/69/05/434456905.db2.gz OXSITTGLEQGYRR-ZIAGYGMSSA-N 2 2 302.418 3.024 20 0 DGADLP Cc1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360076262 434507486 /nfs/dbraw/zinc/50/74/86/434507486.db2.gz PKTODDDNUXMMOI-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000360076262 434507499 /nfs/dbraw/zinc/50/74/99/434507499.db2.gz PKTODDDNUXMMOI-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000360076262 434507509 /nfs/dbraw/zinc/50/75/09/434507509.db2.gz PKTODDDNUXMMOI-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000360076262 434507519 /nfs/dbraw/zinc/50/75/19/434507519.db2.gz PKTODDDNUXMMOI-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404325775 434512670 /nfs/dbraw/zinc/51/26/70/434512670.db2.gz UZKQHVNVWMLUOI-MAUKXSAKSA-N 2 2 317.477 3.198 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404325775 434512677 /nfs/dbraw/zinc/51/26/77/434512677.db2.gz UZKQHVNVWMLUOI-MAUKXSAKSA-N 2 2 317.477 3.198 20 0 DGADLP CC(C)[C@@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CS1 ZINC000348838102 434520026 /nfs/dbraw/zinc/52/00/26/434520026.db2.gz MFPTVLVATBMRQP-GJZGRUSLSA-N 2 2 302.447 3.268 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000353933156 434531342 /nfs/dbraw/zinc/53/13/42/434531342.db2.gz OQPDMYGKAJQAJW-HLLBOEOZSA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000353933156 434531346 /nfs/dbraw/zinc/53/13/46/434531346.db2.gz OQPDMYGKAJQAJW-HLLBOEOZSA-N 2 2 320.477 3.270 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353944639 434538294 /nfs/dbraw/zinc/53/82/94/434538294.db2.gz KXYZWSBWKUJHKN-OALUTQOASA-N 2 2 313.445 3.226 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c[nH+]1 ZINC000353940514 434539525 /nfs/dbraw/zinc/53/95/25/434539525.db2.gz BVPJXZJPHRFVND-HXUWFJFHSA-N 2 2 309.457 3.187 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)Cc1cccc2[nH+]ccn21 ZINC000348881451 434539751 /nfs/dbraw/zinc/53/97/51/434539751.db2.gz XAWCKOPLZHZTKJ-UHFFFAOYSA-N 2 2 300.450 3.032 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947552 434542295 /nfs/dbraw/zinc/54/22/95/434542295.db2.gz ZSRCLJMHKHXEGG-CRAIPNDOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCSCC1 ZINC000353947552 434542300 /nfs/dbraw/zinc/54/23/00/434542300.db2.gz ZSRCLJMHKHXEGG-CRAIPNDOSA-N 2 2 304.503 3.382 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c2ccc(C)cn12 ZINC000360190506 434543228 /nfs/dbraw/zinc/54/32/28/434543228.db2.gz VOXLTCQEYVPYJG-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CCCC[C@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423840221 434551665 /nfs/dbraw/zinc/55/16/65/434551665.db2.gz INHIWWCLWUNNLN-INIZCTEOSA-N 2 2 324.428 3.058 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000348924163 434555497 /nfs/dbraw/zinc/55/54/97/434555497.db2.gz VHBGPHZLHRDTME-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000360232904 434555843 /nfs/dbraw/zinc/55/58/43/434555843.db2.gz DNOLTFQYIJTWGC-HNNXBMFYSA-N 2 2 312.413 3.198 20 0 DGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000360232904 434555850 /nfs/dbraw/zinc/55/58/50/434555850.db2.gz DNOLTFQYIJTWGC-HNNXBMFYSA-N 2 2 312.413 3.198 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986046 434559221 /nfs/dbraw/zinc/55/92/21/434559221.db2.gz GGFSBRONJVYSRT-ZBFHGGJFSA-N 2 2 319.424 3.063 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986046 434559226 /nfs/dbraw/zinc/55/92/26/434559226.db2.gz GGFSBRONJVYSRT-ZBFHGGJFSA-N 2 2 319.424 3.063 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000439078693 434562540 /nfs/dbraw/zinc/56/25/40/434562540.db2.gz QVPZLHPXCXQYEJ-AWEZNQCLSA-N 2 2 321.465 3.036 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108225 295057451 /nfs/dbraw/zinc/05/74/51/295057451.db2.gz LJPMDLDCXARFSH-CRAIPNDOSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108225 295057452 /nfs/dbraw/zinc/05/74/52/295057452.db2.gz LJPMDLDCXARFSH-CRAIPNDOSA-N 2 2 301.478 3.318 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000526983857 295067577 /nfs/dbraw/zinc/06/75/77/295067577.db2.gz HYMZCMGWSQAQCI-XHSDSOJGSA-N 2 2 320.477 3.127 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1OC ZINC000526983857 295067580 /nfs/dbraw/zinc/06/75/80/295067580.db2.gz HYMZCMGWSQAQCI-XHSDSOJGSA-N 2 2 320.477 3.127 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000527533526 295101967 /nfs/dbraw/zinc/10/19/67/295101967.db2.gz JWVUPLKCWLZWFK-LJQANCHMSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000527533526 295101968 /nfs/dbraw/zinc/10/19/68/295101968.db2.gz JWVUPLKCWLZWFK-LJQANCHMSA-N 2 2 301.478 3.334 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527654505 295110647 /nfs/dbraw/zinc/11/06/47/295110647.db2.gz QURDPBOQWBUNBX-CYBMUJFWSA-N 2 2 314.351 3.040 20 0 DGADLP OCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527655865 295111037 /nfs/dbraw/zinc/11/10/37/295111037.db2.gz SXRCYVXZMLOYFA-AABGKKOBSA-N 2 2 316.489 3.149 20 0 DGADLP OCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527655865 295111038 /nfs/dbraw/zinc/11/10/38/295111038.db2.gz SXRCYVXZMLOYFA-AABGKKOBSA-N 2 2 316.489 3.149 20 0 DGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000527695346 295116759 /nfs/dbraw/zinc/11/67/59/295116759.db2.gz NIUIUQSUXZZUJR-TZMCWYRMSA-N 2 2 315.408 3.301 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527806131 295133784 /nfs/dbraw/zinc/13/37/84/295133784.db2.gz DGURKRXCPNXQRA-HXUWFJFHSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527806131 295133787 /nfs/dbraw/zinc/13/37/87/295133787.db2.gz DGURKRXCPNXQRA-HXUWFJFHSA-N 2 2 313.489 3.262 20 0 DGADLP COc1ccc([C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C2CC2)cn1 ZINC000527840651 295138584 /nfs/dbraw/zinc/13/85/84/295138584.db2.gz IFIBHQFISBFHJJ-GOSISDBHSA-N 2 2 322.412 3.287 20 0 DGADLP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000527860303 295141898 /nfs/dbraw/zinc/14/18/98/295141898.db2.gz JOBULXCHKQIPDC-VQTJNVASSA-N 2 2 317.521 3.172 20 0 DGADLP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527860303 295141900 /nfs/dbraw/zinc/14/19/00/295141900.db2.gz JOBULXCHKQIPDC-VQTJNVASSA-N 2 2 317.521 3.172 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1CC12CC2 ZINC000527882388 295144920 /nfs/dbraw/zinc/14/49/20/295144920.db2.gz CXSJXOKGDRMNDP-YOEHRIQHSA-N 2 2 314.477 3.213 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000527899369 295147181 /nfs/dbraw/zinc/14/71/81/295147181.db2.gz QZNBSNNYIJUAOJ-HNNXBMFYSA-N 2 2 311.429 3.148 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999214 295163012 /nfs/dbraw/zinc/16/30/12/295163012.db2.gz FRHCIRZCEICVIY-WFASDCNBSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999214 295163013 /nfs/dbraw/zinc/16/30/13/295163013.db2.gz FRHCIRZCEICVIY-WFASDCNBSA-N 2 2 315.417 3.201 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528415079 295211023 /nfs/dbraw/zinc/21/10/23/295211023.db2.gz CIDVYSRKJLGSCC-GFCCVEGCSA-N 2 2 310.323 3.203 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528415079 295211024 /nfs/dbraw/zinc/21/10/24/295211024.db2.gz CIDVYSRKJLGSCC-GFCCVEGCSA-N 2 2 310.323 3.203 20 0 DGADLP [NH3+]CCC[N@H+](Cc1scnc1C1CC1)Cc1ccccc1 ZINC000339408176 295229950 /nfs/dbraw/zinc/22/99/50/295229950.db2.gz RCQMCUKZYWAHBT-UHFFFAOYSA-N 2 2 301.459 3.372 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1scnc1C1CC1)Cc1ccccc1 ZINC000339408176 295229953 /nfs/dbraw/zinc/22/99/53/295229953.db2.gz RCQMCUKZYWAHBT-UHFFFAOYSA-N 2 2 301.459 3.372 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000354034428 434587645 /nfs/dbraw/zinc/58/76/45/434587645.db2.gz QYWZKOWWYWABML-MRXNPFEDSA-N 2 2 320.339 3.336 20 0 DGADLP COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354034605 434588487 /nfs/dbraw/zinc/58/84/87/434588487.db2.gz SQSONDHBLAWHEX-WLPBJKJWSA-N 2 2 310.397 3.257 20 0 DGADLP COc1ccccc1/C=C\C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354034605 434588493 /nfs/dbraw/zinc/58/84/93/434588493.db2.gz SQSONDHBLAWHEX-WLPBJKJWSA-N 2 2 310.397 3.257 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1([NH+](C)C)CC1 ZINC000418117361 434593313 /nfs/dbraw/zinc/59/33/13/434593313.db2.gz SRFWUXJXTLJTEY-JLHYYAGUSA-N 2 2 310.388 3.375 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087452 434613192 /nfs/dbraw/zinc/61/31/92/434613192.db2.gz AOCZIDLCBMZYGA-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087452 434613195 /nfs/dbraw/zinc/61/31/95/434613195.db2.gz AOCZIDLCBMZYGA-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087452 434613200 /nfs/dbraw/zinc/61/32/00/434613200.db2.gz AOCZIDLCBMZYGA-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000354087452 434613204 /nfs/dbraw/zinc/61/32/04/434613204.db2.gz AOCZIDLCBMZYGA-INIZCTEOSA-N 2 2 306.498 3.029 20 0 DGADLP CC(C)n1c[nH+]cc1CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000424135769 434634061 /nfs/dbraw/zinc/63/40/61/434634061.db2.gz PMUVBAIJLSYPFX-LJQANCHMSA-N 2 2 312.461 3.391 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000349196494 434634842 /nfs/dbraw/zinc/63/48/42/434634842.db2.gz VDQOGOSTJASDRV-IBGZPJMESA-N 2 2 318.424 3.472 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000349196494 434634849 /nfs/dbraw/zinc/63/48/49/434634849.db2.gz VDQOGOSTJASDRV-IBGZPJMESA-N 2 2 318.424 3.472 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641324 434644600 /nfs/dbraw/zinc/64/46/00/434644600.db2.gz MJPIOPGYDSPHLA-BLLLJJGKSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641324 434644607 /nfs/dbraw/zinc/64/46/07/434644607.db2.gz MJPIOPGYDSPHLA-BLLLJJGKSA-N 2 2 323.278 3.064 20 0 DGADLP CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000360425259 434602498 /nfs/dbraw/zinc/60/24/98/434602498.db2.gz AAOMKBWZKLONKU-OALUTQOASA-N 2 2 302.462 3.187 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n1-c1ccccc1 ZINC000459745908 434692132 /nfs/dbraw/zinc/69/21/32/434692132.db2.gz YUZOCSBZZZMTDR-KRWDZBQOSA-N 3 2 312.461 3.002 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1-c1ccccc1 ZINC000459745908 434692139 /nfs/dbraw/zinc/69/21/39/434692139.db2.gz YUZOCSBZZZMTDR-KRWDZBQOSA-N 3 2 312.461 3.002 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1CC(CC(=O)OC)C1)c1ccccc1 ZINC000424249342 434666200 /nfs/dbraw/zinc/66/62/00/434666200.db2.gz ALLYYYSTYQPSPG-VMWRSERWSA-N 2 2 318.461 3.001 20 0 DGADLP Cc1ccc(CCC[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000354212077 434671326 /nfs/dbraw/zinc/67/13/26/434671326.db2.gz OYMSJBUMUSPEFS-MRXNPFEDSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1ccc(CCC[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000354212077 434671329 /nfs/dbraw/zinc/67/13/29/434671329.db2.gz OYMSJBUMUSPEFS-MRXNPFEDSA-N 3 2 303.494 3.423 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349318851 434672105 /nfs/dbraw/zinc/67/21/05/434672105.db2.gz COPKMCUMCCZEDJ-LMDPOFIKSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349318851 434672114 /nfs/dbraw/zinc/67/21/14/434672114.db2.gz COPKMCUMCCZEDJ-LMDPOFIKSA-N 2 2 302.462 3.197 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225017 434676112 /nfs/dbraw/zinc/67/61/12/434676112.db2.gz PSJXEQISEBZULB-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225017 434676118 /nfs/dbraw/zinc/67/61/18/434676118.db2.gz PSJXEQISEBZULB-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225017 434676126 /nfs/dbraw/zinc/67/61/26/434676126.db2.gz PSJXEQISEBZULB-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225017 434676131 /nfs/dbraw/zinc/67/61/31/434676131.db2.gz PSJXEQISEBZULB-XJKSGUPXSA-N 2 2 323.868 3.083 20 0 DGADLP C[N@H+](CCc1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371351011 434676625 /nfs/dbraw/zinc/67/66/25/434676625.db2.gz BPWAMCIRTLJBHT-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[N@@H+](CCc1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371351011 434676629 /nfs/dbraw/zinc/67/66/29/434676629.db2.gz BPWAMCIRTLJBHT-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cs2)c1 ZINC000424331792 434699891 /nfs/dbraw/zinc/69/98/91/434699891.db2.gz JXLSPCGMCFAQSJ-HZPDHXFCSA-N 2 2 317.458 3.178 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424285998 434677473 /nfs/dbraw/zinc/67/74/73/434677473.db2.gz FQAVPDYLUQWLQW-PNHOKKKMSA-N 2 2 320.440 3.061 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424285998 434677483 /nfs/dbraw/zinc/67/74/83/434677483.db2.gz FQAVPDYLUQWLQW-PNHOKKKMSA-N 2 2 320.440 3.061 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225014 434679046 /nfs/dbraw/zinc/67/90/46/434679046.db2.gz PSJXEQISEBZULB-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225014 434679053 /nfs/dbraw/zinc/67/90/53/434679053.db2.gz PSJXEQISEBZULB-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225014 434679061 /nfs/dbraw/zinc/67/90/61/434679061.db2.gz PSJXEQISEBZULB-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000354225014 434679067 /nfs/dbraw/zinc/67/90/67/434679067.db2.gz PSJXEQISEBZULB-BBRMVZONSA-N 2 2 323.868 3.083 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224357 434679396 /nfs/dbraw/zinc/67/93/96/434679396.db2.gz NQEIBRJFOBPJGE-RDJZCZTQSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224357 434679401 /nfs/dbraw/zinc/67/94/01/434679401.db2.gz NQEIBRJFOBPJGE-RDJZCZTQSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224357 434679409 /nfs/dbraw/zinc/67/94/09/434679409.db2.gz NQEIBRJFOBPJGE-RDJZCZTQSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C ZINC000354224357 434679416 /nfs/dbraw/zinc/67/94/16/434679416.db2.gz NQEIBRJFOBPJGE-RDJZCZTQSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C1 ZINC000459731980 434682639 /nfs/dbraw/zinc/68/26/39/434682639.db2.gz LQOBXTBFYVAAFF-QWFCFKBJSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C1 ZINC000459731980 434682647 /nfs/dbraw/zinc/68/26/47/434682647.db2.gz LQOBXTBFYVAAFF-QWFCFKBJSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459731980 434682652 /nfs/dbraw/zinc/68/26/52/434682652.db2.gz LQOBXTBFYVAAFF-QWFCFKBJSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459731980 434682656 /nfs/dbraw/zinc/68/26/56/434682656.db2.gz LQOBXTBFYVAAFF-QWFCFKBJSA-N 3 2 315.505 3.143 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)c[nH+]1 ZINC000349381483 434700549 /nfs/dbraw/zinc/70/05/49/434700549.db2.gz GJVMMAQWGZJZDK-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3[nH+]ccn31)CCCO2 ZINC000354284499 434704945 /nfs/dbraw/zinc/70/49/45/434704945.db2.gz XGAZQZCRUHXFST-INIZCTEOSA-N 2 2 311.360 3.477 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419301675 434769026 /nfs/dbraw/zinc/76/90/26/434769026.db2.gz OEXJTZHRBAJMFR-INIZCTEOSA-N 2 2 305.372 3.177 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419301675 434769034 /nfs/dbraw/zinc/76/90/34/434769034.db2.gz OEXJTZHRBAJMFR-INIZCTEOSA-N 2 2 305.372 3.177 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)c1ccccc1 ZINC000453058167 434785897 /nfs/dbraw/zinc/78/58/97/434785897.db2.gz NXPRLPBIOAYRRH-LPHOPBHVSA-N 2 2 312.461 3.080 20 0 DGADLP C[N@H+](CCOCC1CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445431889 434799420 /nfs/dbraw/zinc/79/94/20/434799420.db2.gz QXWJFRJSBDTAPQ-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP C[N@@H+](CCOCC1CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445431889 434799429 /nfs/dbraw/zinc/79/94/29/434799429.db2.gz QXWJFRJSBDTAPQ-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP c1cc(CCC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc2c1OCC2 ZINC000361125771 434803827 /nfs/dbraw/zinc/80/38/27/434803827.db2.gz KLSPMAOQGGORQS-LJQANCHMSA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc2c1OCC2 ZINC000361125771 434803832 /nfs/dbraw/zinc/80/38/32/434803832.db2.gz KLSPMAOQGGORQS-LJQANCHMSA-N 2 2 314.473 3.161 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076948 434790865 /nfs/dbraw/zinc/79/08/65/434790865.db2.gz WVZBQKDWIWDKTE-IPELMVKDSA-N 2 2 312.461 3.296 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cnn(C)c1 ZINC000361076948 434790870 /nfs/dbraw/zinc/79/08/70/434790870.db2.gz WVZBQKDWIWDKTE-IPELMVKDSA-N 2 2 312.461 3.296 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccncn1)[N@@H+]1CCc2ccccc2C1 ZINC000453072801 434791207 /nfs/dbraw/zinc/79/12/07/434791207.db2.gz IIRPGALCSVTKQY-OXQOHEQNSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccncn1)[N@H+]1CCc2ccccc2C1 ZINC000453072801 434791213 /nfs/dbraw/zinc/79/12/13/434791213.db2.gz IIRPGALCSVTKQY-OXQOHEQNSA-N 2 2 324.472 3.210 20 0 DGADLP Cc1cnc([C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000361085662 434792543 /nfs/dbraw/zinc/79/25/43/434792543.db2.gz FEFOOKYFEPHRSL-OAHLLOKOSA-N 2 2 302.422 3.433 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccncn1 ZINC000453111360 434805746 /nfs/dbraw/zinc/80/57/46/434805746.db2.gz DTEVUEMPAHUMRO-CVEARBPZSA-N 2 2 310.445 3.353 20 0 DGADLP COC(=O)c1coc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000361140350 434810155 /nfs/dbraw/zinc/81/01/55/434810155.db2.gz JVSRDIBSDHNHFG-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361188538 434825791 /nfs/dbraw/zinc/82/57/91/434825791.db2.gz LICINZJRYSWQCM-KDOFPFPSSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361188538 434825795 /nfs/dbraw/zinc/82/57/95/434825795.db2.gz LICINZJRYSWQCM-KDOFPFPSSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000361188538 434825799 /nfs/dbraw/zinc/82/57/99/434825799.db2.gz LICINZJRYSWQCM-KDOFPFPSSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000361188538 434825804 /nfs/dbraw/zinc/82/58/04/434825804.db2.gz LICINZJRYSWQCM-KDOFPFPSSA-N 2 2 318.436 3.283 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254402 434841405 /nfs/dbraw/zinc/84/14/05/434841405.db2.gz DQXXUSSZWOMWTL-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cccc(Cl)c1 ZINC000453254402 434841407 /nfs/dbraw/zinc/84/14/07/434841407.db2.gz DQXXUSSZWOMWTL-IRXDYDNUSA-N 2 2 310.869 3.228 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411911208 434843428 /nfs/dbraw/zinc/84/34/28/434843428.db2.gz VTRAHZDUWGWBDL-CQSZACIVSA-N 2 2 321.465 3.166 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411911208 434843432 /nfs/dbraw/zinc/84/34/32/434843432.db2.gz VTRAHZDUWGWBDL-CQSZACIVSA-N 2 2 321.465 3.166 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1c1ccccc1 ZINC000453258087 434843570 /nfs/dbraw/zinc/84/35/70/434843570.db2.gz HPZMVYVPVWXOOR-GUDVDZBRSA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1c1ccccc1 ZINC000453258087 434843571 /nfs/dbraw/zinc/84/35/71/434843571.db2.gz HPZMVYVPVWXOOR-GUDVDZBRSA-N 2 2 316.489 3.005 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(C)(C)C[C@@H]3C)c2cc1C ZINC000412037586 434857650 /nfs/dbraw/zinc/85/76/50/434857650.db2.gz IBAYYWHVMQTBAM-JKSUJKDBSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(C)(C)C[C@@H]3C)c2cc1C ZINC000412037586 434857652 /nfs/dbraw/zinc/85/76/52/434857652.db2.gz IBAYYWHVMQTBAM-JKSUJKDBSA-N 2 2 315.461 3.134 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000553427688 434890749 /nfs/dbraw/zinc/89/07/49/434890749.db2.gz MIOHXWBPQOBIQI-UHFFFAOYSA-N 2 2 324.509 3.354 20 0 DGADLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1csc(-c2ccccc2)n1 ZINC000573425723 434896987 /nfs/dbraw/zinc/89/69/87/434896987.db2.gz FDCFDFIEPVNEMJ-ZDUSSCGKSA-N 2 2 312.442 3.437 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccccc2CC(F)(F)F)CC1 ZINC000637926203 434910009 /nfs/dbraw/zinc/91/00/09/434910009.db2.gz FZDFDYZKLBWGPS-UHFFFAOYSA-N 2 2 300.368 3.317 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554079501 434912086 /nfs/dbraw/zinc/91/20/86/434912086.db2.gz VBNRSVXRJFVOMJ-CTHBEMJXSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554079501 434912089 /nfs/dbraw/zinc/91/20/89/434912089.db2.gz VBNRSVXRJFVOMJ-CTHBEMJXSA-N 2 2 304.400 3.427 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(OC)cccc2OC)CC1 ZINC000637956157 434916487 /nfs/dbraw/zinc/91/64/87/434916487.db2.gz ROBVVCWIYYHEQU-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(OC)cccc2OC)CC1 ZINC000637956157 434916490 /nfs/dbraw/zinc/91/64/90/434916490.db2.gz ROBVVCWIYYHEQU-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CC(C)c1[nH+]c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c2ccccn21 ZINC000573096656 434874416 /nfs/dbraw/zinc/87/44/16/434874416.db2.gz DUUFLITYQKXNCK-DOTOQJQBSA-N 2 2 313.445 3.459 20 0 DGADLP CC(C)c1[nH+]c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c2ccccn21 ZINC000573096656 434874420 /nfs/dbraw/zinc/87/44/20/434874420.db2.gz DUUFLITYQKXNCK-DOTOQJQBSA-N 2 2 313.445 3.459 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907177 434937050 /nfs/dbraw/zinc/93/70/50/434937050.db2.gz QNNBEJLXPRXJOH-NSISKUIASA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000462907177 434937054 /nfs/dbraw/zinc/93/70/54/434937054.db2.gz QNNBEJLXPRXJOH-NSISKUIASA-N 2 2 316.489 3.302 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000492272167 434947472 /nfs/dbraw/zinc/94/74/72/434947472.db2.gz ASFVPLHKDNMQKS-HNNXBMFYSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000492272167 434947475 /nfs/dbraw/zinc/94/74/75/434947475.db2.gz ASFVPLHKDNMQKS-HNNXBMFYSA-N 2 2 321.465 3.168 20 0 DGADLP CCC(CC)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000492275703 434949473 /nfs/dbraw/zinc/94/94/73/434949473.db2.gz OUFYGFOSLZDCOD-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP CCC(CC)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000492275703 434949478 /nfs/dbraw/zinc/94/94/78/434949478.db2.gz OUFYGFOSLZDCOD-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP CC[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000638095071 434953168 /nfs/dbraw/zinc/95/31/68/434953168.db2.gz PGJNRUTVUHKEOV-NSHDSACASA-N 2 2 319.792 3.464 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000638125787 434960734 /nfs/dbraw/zinc/96/07/34/434960734.db2.gz ZDKKEAPSBKWDFZ-OAHLLOKOSA-N 2 2 309.404 3.327 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000638125787 434960738 /nfs/dbraw/zinc/96/07/38/434960738.db2.gz ZDKKEAPSBKWDFZ-OAHLLOKOSA-N 2 2 309.404 3.327 20 0 DGADLP c1ccc(N2CC[C@@H](C[N@@H+]3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978644 434921686 /nfs/dbraw/zinc/92/16/86/434921686.db2.gz QFVXMCCKMAKORE-ICSRJNTNSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[C@@H](C[N@H+]3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978644 434921688 /nfs/dbraw/zinc/92/16/88/434921688.db2.gz QFVXMCCKMAKORE-ICSRJNTNSA-N 2 2 313.489 3.073 20 0 DGADLP CC(C)O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000638405107 435023458 /nfs/dbraw/zinc/02/34/58/435023458.db2.gz VKZHISVIPSOPIJ-SFHVURJKSA-N 2 2 301.434 3.419 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000556042727 434992340 /nfs/dbraw/zinc/99/23/40/434992340.db2.gz GYLATTWNJGVLPU-CRAIPNDOSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000556042727 434992344 /nfs/dbraw/zinc/99/23/44/434992344.db2.gz GYLATTWNJGVLPU-CRAIPNDOSA-N 2 2 302.462 3.320 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000556088051 434994396 /nfs/dbraw/zinc/99/43/96/434994396.db2.gz FGHWFTIWKIPNNC-LJQANCHMSA-N 2 2 316.489 3.299 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000556088051 434994402 /nfs/dbraw/zinc/99/44/02/434994402.db2.gz FGHWFTIWKIPNNC-LJQANCHMSA-N 2 2 316.489 3.299 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)n1C ZINC000574705359 434998761 /nfs/dbraw/zinc/99/87/61/434998761.db2.gz YDSZDLAAPGKHAS-INIZCTEOSA-N 2 2 321.371 3.497 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000574757782 435001807 /nfs/dbraw/zinc/00/18/07/435001807.db2.gz MUPNVUADLPWBDF-GOEBONIOSA-N 2 2 319.497 3.061 20 0 DGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)OC ZINC000638342721 435008485 /nfs/dbraw/zinc/00/84/85/435008485.db2.gz NYGZRVFZUSUJAC-CRAIPNDOSA-N 2 2 301.434 3.082 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(CO)cc1)c1ccccc1 ZINC000638601341 435058160 /nfs/dbraw/zinc/05/81/60/435058160.db2.gz KNTRKGIOBMHICC-INIZCTEOSA-N 2 2 312.457 3.398 20 0 DGADLP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000557694982 435063387 /nfs/dbraw/zinc/06/33/87/435063387.db2.gz XDOFBDDRGXSXAS-IEBWSBKVSA-N 2 2 312.461 3.389 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000638670790 435067985 /nfs/dbraw/zinc/06/79/85/435067985.db2.gz KRDZKDXWKILDRA-CZUORRHYSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000638670790 435067987 /nfs/dbraw/zinc/06/79/87/435067987.db2.gz KRDZKDXWKILDRA-CZUORRHYSA-N 2 2 305.447 3.217 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773499 435087099 /nfs/dbraw/zinc/08/70/99/435087099.db2.gz ATVPBNNJLQSVID-OTYXRUKQSA-N 2 2 314.260 3.148 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638773499 435087101 /nfs/dbraw/zinc/08/71/01/435087101.db2.gz ATVPBNNJLQSVID-OTYXRUKQSA-N 2 2 314.260 3.148 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccns2)c(C)c1 ZINC000638779688 435088277 /nfs/dbraw/zinc/08/82/77/435088277.db2.gz LTZVZBDAAQXGAK-KRWDZBQOSA-N 2 2 312.442 3.488 20 0 DGADLP CCC[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)OC ZINC000638788792 435089848 /nfs/dbraw/zinc/08/98/48/435089848.db2.gz VZASSHMQFAQVNU-YJBOKZPZSA-N 2 2 305.466 3.012 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638787915 435090178 /nfs/dbraw/zinc/09/01/78/435090178.db2.gz PJGYCTVNFWKSIQ-HNNXBMFYSA-N 2 2 301.434 3.285 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638787915 435090183 /nfs/dbraw/zinc/09/01/83/435090183.db2.gz PJGYCTVNFWKSIQ-HNNXBMFYSA-N 2 2 301.434 3.285 20 0 DGADLP CC(C)O[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000638581938 435055058 /nfs/dbraw/zinc/05/50/58/435055058.db2.gz HVSFBGYONNHNLR-OALUTQOASA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)O[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000638581938 435055061 /nfs/dbraw/zinc/05/50/61/435055061.db2.gz HVSFBGYONNHNLR-OALUTQOASA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@H]1CC1(F)F ZINC000638595652 435056382 /nfs/dbraw/zinc/05/63/82/435056382.db2.gz UGPPOPHDPFUPBZ-ZIAGYGMSSA-N 2 2 318.477 3.371 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C(C)(C)C ZINC000638604616 435057479 /nfs/dbraw/zinc/05/74/79/435057479.db2.gz KLOWBPJXYSMPOP-HZPDHXFCSA-N 2 2 321.513 3.382 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000558449443 435092423 /nfs/dbraw/zinc/09/24/23/435092423.db2.gz NUYCYEGIDJDMNM-UHFFFAOYSA-N 2 2 318.465 3.283 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558449443 435092426 /nfs/dbraw/zinc/09/24/26/435092426.db2.gz NUYCYEGIDJDMNM-UHFFFAOYSA-N 2 2 318.465 3.283 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000578648680 435100467 /nfs/dbraw/zinc/10/04/67/435100467.db2.gz ATEUJIVEPVRWLY-CZUORRHYSA-N 2 2 311.385 3.119 20 0 DGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000578664763 435101697 /nfs/dbraw/zinc/10/16/97/435101697.db2.gz XJFOBDGUCFGPKM-SFHVURJKSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000578664763 435101702 /nfs/dbraw/zinc/10/17/02/435101702.db2.gz XJFOBDGUCFGPKM-SFHVURJKSA-N 2 2 316.489 3.194 20 0 DGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)/C=C\c3[nH]cc[nH+]3)c2C1 ZINC000493077945 435104233 /nfs/dbraw/zinc/10/42/33/435104233.db2.gz ZJVAXZUJZCWWHN-SREVYHEPSA-N 2 2 324.428 3.423 20 0 DGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)/C=C\c3[nH]cc[nH+]3)c2C1 ZINC000493077945 435104238 /nfs/dbraw/zinc/10/42/38/435104238.db2.gz ZJVAXZUJZCWWHN-SREVYHEPSA-N 2 2 324.428 3.423 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683409 435109913 /nfs/dbraw/zinc/10/99/13/435109913.db2.gz KLXLZMQDUHHBPZ-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683409 435109916 /nfs/dbraw/zinc/10/99/16/435109916.db2.gz KLXLZMQDUHHBPZ-UXHICEINSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715956 435112552 /nfs/dbraw/zinc/11/25/52/435112552.db2.gz GZKXCOWRMGUVFD-IZBJGVDFSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715956 435112555 /nfs/dbraw/zinc/11/25/55/435112555.db2.gz GZKXCOWRMGUVFD-IZBJGVDFSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715956 435112559 /nfs/dbraw/zinc/11/25/59/435112559.db2.gz GZKXCOWRMGUVFD-IZBJGVDFSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715956 435112560 /nfs/dbraw/zinc/11/25/60/435112560.db2.gz GZKXCOWRMGUVFD-IZBJGVDFSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715958 435112910 /nfs/dbraw/zinc/11/29/10/435112910.db2.gz GZKXCOWRMGUVFD-LFGUQSLTSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000531715958 435112915 /nfs/dbraw/zinc/11/29/15/435112915.db2.gz GZKXCOWRMGUVFD-LFGUQSLTSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715958 435112917 /nfs/dbraw/zinc/11/29/17/435112917.db2.gz GZKXCOWRMGUVFD-LFGUQSLTSA-N 3 2 321.553 3.349 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715958 435112921 /nfs/dbraw/zinc/11/29/21/435112921.db2.gz GZKXCOWRMGUVFD-LFGUQSLTSA-N 3 2 321.553 3.349 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)CC3 ZINC000493179700 435121812 /nfs/dbraw/zinc/12/18/12/435121812.db2.gz WIMNEIDGPYNWDK-PDSXEYIOSA-N 2 2 323.484 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC3 ZINC000493179700 435121817 /nfs/dbraw/zinc/12/18/17/435121817.db2.gz WIMNEIDGPYNWDK-PDSXEYIOSA-N 2 2 323.484 3.406 20 0 DGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000578966619 435122193 /nfs/dbraw/zinc/12/21/93/435122193.db2.gz SUTRDWUDKNZEBT-AZUAARDMSA-N 2 2 303.409 3.080 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000468546849 435127460 /nfs/dbraw/zinc/12/74/60/435127460.db2.gz FMRAOZMUNHWICY-RYQLBKOJSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000468546849 435127466 /nfs/dbraw/zinc/12/74/66/435127466.db2.gz FMRAOZMUNHWICY-RYQLBKOJSA-N 2 2 322.493 3.057 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCOC1 ZINC000531957773 435129466 /nfs/dbraw/zinc/12/94/66/435129466.db2.gz FVRLIUMSUUZSBN-OWYHZJEWSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCOC1 ZINC000531957773 435129471 /nfs/dbraw/zinc/12/94/71/435129471.db2.gz FVRLIUMSUUZSBN-OWYHZJEWSA-N 2 2 302.462 3.227 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966803 435131332 /nfs/dbraw/zinc/13/13/32/435131332.db2.gz CTXKIQLXDKEKNI-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000531966803 435131335 /nfs/dbraw/zinc/13/13/35/435131335.db2.gz CTXKIQLXDKEKNI-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000579194548 435136382 /nfs/dbraw/zinc/13/63/82/435136382.db2.gz UWGULVXVVNBDMA-JJXSEGSLSA-N 2 2 308.491 3.431 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052869 435137878 /nfs/dbraw/zinc/13/78/78/435137878.db2.gz ZQKGNRVSTZOYOY-RDTXWAMCSA-N 2 2 313.420 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(F)c1N ZINC000639052869 435137881 /nfs/dbraw/zinc/13/78/81/435137881.db2.gz ZQKGNRVSTZOYOY-RDTXWAMCSA-N 2 2 313.420 3.018 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC[C@H]1CCO1)C1CC1 ZINC000639062301 435140483 /nfs/dbraw/zinc/14/04/83/435140483.db2.gz XPTULXXMGGDAPI-OALUTQOASA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC[C@H]1CCO1)C1CC1 ZINC000639062301 435140486 /nfs/dbraw/zinc/14/04/86/435140486.db2.gz XPTULXXMGGDAPI-OALUTQOASA-N 2 2 302.462 3.056 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000493952639 435192976 /nfs/dbraw/zinc/19/29/76/435192976.db2.gz MLWUFIIBSJOZFA-RTBURBONSA-N 2 2 310.441 3.273 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203239 435197593 /nfs/dbraw/zinc/19/75/93/435197593.db2.gz IIBRSMHUFOHBCZ-GOSISDBHSA-N 2 2 317.383 3.041 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203239 435197597 /nfs/dbraw/zinc/19/75/97/435197597.db2.gz IIBRSMHUFOHBCZ-GOSISDBHSA-N 2 2 317.383 3.041 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203239 435197601 /nfs/dbraw/zinc/19/76/01/435197601.db2.gz IIBRSMHUFOHBCZ-GOSISDBHSA-N 2 2 317.383 3.041 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639203239 435197603 /nfs/dbraw/zinc/19/76/03/435197603.db2.gz IIBRSMHUFOHBCZ-GOSISDBHSA-N 2 2 317.383 3.041 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000474593509 435152630 /nfs/dbraw/zinc/15/26/30/435152630.db2.gz BVDOCYWHTJLYFH-GBESFXJTSA-N 2 2 304.478 3.393 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000639108263 435158262 /nfs/dbraw/zinc/15/82/62/435158262.db2.gz WWVQEJCSSJQYQP-FXAWDEMLSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000639108263 435158266 /nfs/dbraw/zinc/15/82/66/435158266.db2.gz WWVQEJCSSJQYQP-FXAWDEMLSA-N 2 2 313.489 3.119 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000532378283 435162596 /nfs/dbraw/zinc/16/25/96/435162596.db2.gz FIHGAQYITLAGDA-KRWDZBQOSA-N 2 2 321.896 3.336 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000532378283 435162602 /nfs/dbraw/zinc/16/26/02/435162602.db2.gz FIHGAQYITLAGDA-KRWDZBQOSA-N 2 2 321.896 3.336 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000639121132 435164432 /nfs/dbraw/zinc/16/44/32/435164432.db2.gz YJFDLVJPFKKPNP-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000639121132 435164434 /nfs/dbraw/zinc/16/44/34/435164434.db2.gz YJFDLVJPFKKPNP-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000639121132 435164438 /nfs/dbraw/zinc/16/44/38/435164438.db2.gz YJFDLVJPFKKPNP-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000639121132 435164441 /nfs/dbraw/zinc/16/44/41/435164441.db2.gz YJFDLVJPFKKPNP-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CO[C@@](C)(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154650 435176025 /nfs/dbraw/zinc/17/60/25/435176025.db2.gz MSFMJNNRUXTMFC-BEFAXECRSA-N 2 2 317.477 3.214 20 0 DGADLP CO[C@@](C)(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000639154650 435176028 /nfs/dbraw/zinc/17/60/28/435176028.db2.gz MSFMJNNRUXTMFC-BEFAXECRSA-N 2 2 317.477 3.214 20 0 DGADLP CCC[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153673 435176427 /nfs/dbraw/zinc/17/64/27/435176427.db2.gz IAZLXKDJXSGLNX-WBVHZDCISA-N 2 2 305.466 3.214 20 0 DGADLP CCC[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153673 435176429 /nfs/dbraw/zinc/17/64/29/435176429.db2.gz IAZLXKDJXSGLNX-WBVHZDCISA-N 2 2 305.466 3.214 20 0 DGADLP CCC[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153672 435176703 /nfs/dbraw/zinc/17/67/03/435176703.db2.gz IAZLXKDJXSGLNX-RDJZCZTQSA-N 2 2 305.466 3.214 20 0 DGADLP CCC[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153672 435176706 /nfs/dbraw/zinc/17/67/06/435176706.db2.gz IAZLXKDJXSGLNX-RDJZCZTQSA-N 2 2 305.466 3.214 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc(-c2ccccc2)nc1 ZINC000532650523 435183301 /nfs/dbraw/zinc/18/33/01/435183301.db2.gz PWHYTYBNJUHCRS-MOPGFXCFSA-N 2 2 322.456 3.202 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc(-c2ccccc2)nc1 ZINC000532650523 435183304 /nfs/dbraw/zinc/18/33/04/435183304.db2.gz PWHYTYBNJUHCRS-MOPGFXCFSA-N 2 2 322.456 3.202 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccccc2)nc1 ZINC000532650523 435183305 /nfs/dbraw/zinc/18/33/05/435183305.db2.gz PWHYTYBNJUHCRS-MOPGFXCFSA-N 2 2 322.456 3.202 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccccc2)nc1 ZINC000532650523 435183311 /nfs/dbraw/zinc/18/33/11/435183311.db2.gz PWHYTYBNJUHCRS-MOPGFXCFSA-N 2 2 322.456 3.202 20 0 DGADLP CO[C@@H](CC(C)C)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639177985 435183369 /nfs/dbraw/zinc/18/33/69/435183369.db2.gz DWKUCKKENGAEIT-SFHVURJKSA-N 2 2 308.466 3.237 20 0 DGADLP CO[C@@H](CC(C)C)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639177985 435183372 /nfs/dbraw/zinc/18/33/72/435183372.db2.gz DWKUCKKENGAEIT-SFHVURJKSA-N 2 2 308.466 3.237 20 0 DGADLP Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000642242254 435213649 /nfs/dbraw/zinc/21/36/49/435213649.db2.gz NPNVCLSKRFKOOV-UHFFFAOYSA-N 2 2 323.484 3.297 20 0 DGADLP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000580269469 435216802 /nfs/dbraw/zinc/21/68/02/435216802.db2.gz YIYZPQXSMJUJID-HNNXBMFYSA-N 2 2 315.486 3.328 20 0 DGADLP CC[C@](C)(C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639243056 435211693 /nfs/dbraw/zinc/21/16/93/435211693.db2.gz TYYPGUBWXCQHFE-CQSZACIVSA-N 2 2 310.404 3.150 20 0 DGADLP CC[C@](C)(C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639243056 435211694 /nfs/dbraw/zinc/21/16/94/435211694.db2.gz TYYPGUBWXCQHFE-CQSZACIVSA-N 2 2 310.404 3.150 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295831 435232107 /nfs/dbraw/zinc/23/21/07/435232107.db2.gz NUHXDNKISWMZAL-OXQOHEQNSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295831 435232111 /nfs/dbraw/zinc/23/21/11/435232111.db2.gz NUHXDNKISWMZAL-OXQOHEQNSA-N 2 2 324.472 3.409 20 0 DGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000639327746 435246661 /nfs/dbraw/zinc/24/66/61/435246661.db2.gz MKTCFAGGYVDEEN-LMMKCTJWSA-N 2 2 306.494 3.354 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000583945290 435258478 /nfs/dbraw/zinc/25/84/78/435258478.db2.gz PQBUBKOXWKPCTO-LMMKCTJWSA-N 3 2 312.461 3.101 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)Oc2ccc(C(C)C)cc2)n1C ZINC000583945685 435258630 /nfs/dbraw/zinc/25/86/30/435258630.db2.gz CQENUCNGAGVYOO-AWEZNQCLSA-N 2 2 301.434 3.409 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031697 435268398 /nfs/dbraw/zinc/26/83/98/435268398.db2.gz BUUJRDXUWGMUMB-CJNGLKHVSA-N 2 2 316.848 3.078 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000584031697 435268403 /nfs/dbraw/zinc/26/84/03/435268403.db2.gz BUUJRDXUWGMUMB-CJNGLKHVSA-N 2 2 316.848 3.078 20 0 DGADLP COCc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000639374301 435271851 /nfs/dbraw/zinc/27/18/51/435271851.db2.gz FSPZPXIGELKUEJ-UHFFFAOYSA-N 2 2 302.462 3.283 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000639375558 435272797 /nfs/dbraw/zinc/27/27/97/435272797.db2.gz XFWQHLNZDIGZFR-UHFFFAOYSA-N 2 2 314.433 3.120 20 0 DGADLP CCCn1nc(C)c(C[NH+]2CCC(CC)([NH+](C)C)CC2)c1C ZINC000639378123 435273676 /nfs/dbraw/zinc/27/36/76/435273676.db2.gz BHTOSESAHXTDPD-UHFFFAOYSA-N 2 2 306.498 3.216 20 0 DGADLP CCC1([NH+]2CCCC2)CCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000639375904 435274883 /nfs/dbraw/zinc/27/48/83/435274883.db2.gz KDCBOKMEPZPZHS-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP Cc1ccc(CCC[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c[nH+]1 ZINC000639386432 435278249 /nfs/dbraw/zinc/27/82/49/435278249.db2.gz ISWMHXABZKXIGH-IBGZPJMESA-N 2 2 316.420 3.045 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](CC)CC)CCO1 ZINC000648417399 435292394 /nfs/dbraw/zinc/29/23/94/435292394.db2.gz FIXZBFZKZBBAPG-VAMGGRTRSA-N 2 2 318.505 3.487 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000648429268 435296714 /nfs/dbraw/zinc/29/67/14/435296714.db2.gz FKCIMWGSZRZESI-CCWDJLKJSA-N 2 2 320.452 3.336 20 0 DGADLP CO[C@@](C)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320246 435302942 /nfs/dbraw/zinc/30/29/42/435302942.db2.gz RMWOGWXIWOCYNG-ICSRJNTNSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@](C)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000643320246 435302949 /nfs/dbraw/zinc/30/29/49/435302949.db2.gz RMWOGWXIWOCYNG-ICSRJNTNSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC[C@@H]1[NH3+] ZINC000643009807 435260848 /nfs/dbraw/zinc/26/08/48/435260848.db2.gz MIFCKRRTDVIVDX-STQMWFEESA-N 2 2 304.482 3.245 20 0 DGADLP CCC[NH+]1CCC(Nc2[nH+]cccc2CCCCOC)CC1 ZINC000643357227 435315465 /nfs/dbraw/zinc/31/54/65/435315465.db2.gz PWQQBOMSBWKSDR-UHFFFAOYSA-N 2 2 305.466 3.337 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OC ZINC000643427470 435323439 /nfs/dbraw/zinc/32/34/39/435323439.db2.gz IPAGNPJYEHAPDU-HNNXBMFYSA-N 2 2 318.461 3.200 20 0 DGADLP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456294 435326904 /nfs/dbraw/zinc/32/69/04/435326904.db2.gz BGFGKRGMQRXUFC-GLQYFDAESA-N 2 2 316.367 3.123 20 0 DGADLP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456292 435328040 /nfs/dbraw/zinc/32/80/40/435328040.db2.gz BGFGKRGMQRXUFC-CQDKDKBSSA-N 2 2 316.367 3.123 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3c(C)cc(C)nc3C)CC2)c1 ZINC000639518267 435329608 /nfs/dbraw/zinc/32/96/08/435329608.db2.gz DFICEYCBNJNRAI-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000643459778 435329677 /nfs/dbraw/zinc/32/96/77/435329677.db2.gz ICDFXVXFPOPEIK-QAPCUYQASA-N 2 2 311.429 3.494 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000643467671 435332301 /nfs/dbraw/zinc/33/23/01/435332301.db2.gz OOTNRSDOSGTRJT-UWJYYQICSA-N 2 2 324.468 3.253 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc3c2CCOC3)C[C@H]1n1cc[nH+]c1 ZINC000639541831 435335686 /nfs/dbraw/zinc/33/56/86/435335686.db2.gz CBNIVYFLFCVZFS-HNAYVOBHSA-N 2 2 311.429 3.039 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1n1cc[nH+]c1 ZINC000639541831 435335691 /nfs/dbraw/zinc/33/56/91/435335691.db2.gz CBNIVYFLFCVZFS-HNAYVOBHSA-N 2 2 311.429 3.039 20 0 DGADLP Brc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501219 435336356 /nfs/dbraw/zinc/33/63/56/435336356.db2.gz AJJHXGDKFVXJQR-IAQYHMDHSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000643506133 435338714 /nfs/dbraw/zinc/33/87/14/435338714.db2.gz LLDQBGGNUIJTSS-NSHDSACASA-N 2 2 302.340 3.030 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000643527554 435345274 /nfs/dbraw/zinc/34/52/74/435345274.db2.gz OLDBNGBWFXYBBJ-SDBXPKJASA-N 2 2 317.658 3.490 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)C1 ZINC000643538109 435347085 /nfs/dbraw/zinc/34/70/85/435347085.db2.gz YRBRGXPLBXPAGS-GMXVVIOVSA-N 2 2 303.208 3.270 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000512297211 435354402 /nfs/dbraw/zinc/35/44/02/435354402.db2.gz VZAKGWMJGWXJJI-STQMWFEESA-N 2 2 311.267 3.394 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000512297211 435354408 /nfs/dbraw/zinc/35/44/08/435354408.db2.gz VZAKGWMJGWXJJI-STQMWFEESA-N 2 2 311.267 3.394 20 0 DGADLP COC(=O)[C@H](C)[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000567782083 435354916 /nfs/dbraw/zinc/35/49/16/435354916.db2.gz YQVYJEADJANWTN-CRAIPNDOSA-N 2 2 312.413 3.073 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593289 435356150 /nfs/dbraw/zinc/35/61/50/435356150.db2.gz UCJOZTVUEQXBDK-MRXNPFEDSA-N 2 2 305.809 3.009 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593289 435356152 /nfs/dbraw/zinc/35/61/52/435356152.db2.gz UCJOZTVUEQXBDK-MRXNPFEDSA-N 2 2 305.809 3.009 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593289 435356157 /nfs/dbraw/zinc/35/61/57/435356157.db2.gz UCJOZTVUEQXBDK-MRXNPFEDSA-N 2 2 305.809 3.009 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593289 435356163 /nfs/dbraw/zinc/35/61/63/435356163.db2.gz UCJOZTVUEQXBDK-MRXNPFEDSA-N 2 2 305.809 3.009 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+]C1CCOCC1)c1ccc(Cl)cc1 ZINC000512562293 435361180 /nfs/dbraw/zinc/36/11/80/435361180.db2.gz SQSRVIYXTNDSMV-QGZVFWFLSA-N 2 2 310.869 3.492 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+]C1CCOCC1)c1ccc(Cl)cc1 ZINC000512562293 435361183 /nfs/dbraw/zinc/36/11/83/435361183.db2.gz SQSRVIYXTNDSMV-QGZVFWFLSA-N 2 2 310.869 3.492 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000480050954 435361962 /nfs/dbraw/zinc/36/19/62/435361962.db2.gz YPBNRDPYCPQWPJ-ZWKOTPCHSA-N 2 2 304.478 3.311 20 0 DGADLP COc1cccc2c1C[N@H+](Cc1c[nH+]c3cccc(C)n13)CC2 ZINC000648769815 435415261 /nfs/dbraw/zinc/41/52/61/435415261.db2.gz DJUGYMBJBNBEPY-UHFFFAOYSA-N 2 2 307.397 3.210 20 0 DGADLP COc1cccc2c1C[N@@H+](Cc1c[nH+]c3cccc(C)n13)CC2 ZINC000648769815 435415269 /nfs/dbraw/zinc/41/52/69/435415269.db2.gz DJUGYMBJBNBEPY-UHFFFAOYSA-N 2 2 307.397 3.210 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000536984321 435421862 /nfs/dbraw/zinc/42/18/62/435421862.db2.gz VVYWCDXFZBKUCY-ZDUSSCGKSA-N 2 2 315.465 3.191 20 0 DGADLP Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000639796499 435422396 /nfs/dbraw/zinc/42/23/96/435422396.db2.gz TYQIJLUUNLUNBX-SUMWQHHRSA-N 2 2 318.465 3.283 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000480246321 435372003 /nfs/dbraw/zinc/37/20/03/435372003.db2.gz YPUHOJYZNIIMFM-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000480246321 435372007 /nfs/dbraw/zinc/37/20/07/435372007.db2.gz YPUHOJYZNIIMFM-FGTMMUONSA-N 2 2 304.478 3.453 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000536307505 435376956 /nfs/dbraw/zinc/37/69/56/435376956.db2.gz NEBGUBITBFEASM-RZFLPCETSA-N 2 2 306.494 3.187 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000536307505 435376960 /nfs/dbraw/zinc/37/69/60/435376960.db2.gz NEBGUBITBFEASM-RZFLPCETSA-N 2 2 306.494 3.187 20 0 DGADLP Fc1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000536371694 435379384 /nfs/dbraw/zinc/37/93/84/435379384.db2.gz RCGOUQOKGBLEAF-UHFFFAOYSA-N 2 2 317.383 3.479 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639682419 435391932 /nfs/dbraw/zinc/39/19/32/435391932.db2.gz WXKZFNDSYYPFEP-UHFFFAOYSA-N 2 2 314.433 3.079 20 0 DGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000513500287 435392861 /nfs/dbraw/zinc/39/28/61/435392861.db2.gz LRCJRZXPPBRHCW-KGAUPUERSA-N 2 2 322.880 3.444 20 0 DGADLP CC[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](CC)CC)[C@H]1CCOC1 ZINC000480786075 435396752 /nfs/dbraw/zinc/39/67/52/435396752.db2.gz KYVKXDUXAMLZFU-UFYCRDLUSA-N 2 2 318.505 3.344 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000514911246 435448430 /nfs/dbraw/zinc/44/84/30/435448430.db2.gz ZXQFRCKXEGIIAJ-VYDRJQSISA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000514911246 435448433 /nfs/dbraw/zinc/44/84/33/435448433.db2.gz ZXQFRCKXEGIIAJ-VYDRJQSISA-N 2 2 302.462 3.053 20 0 DGADLP CCCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000481989020 435448484 /nfs/dbraw/zinc/44/84/84/435448484.db2.gz HSWXOWLUNMIMTL-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP CCCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000481989020 435448487 /nfs/dbraw/zinc/44/84/87/435448487.db2.gz HSWXOWLUNMIMTL-HXUWFJFHSA-N 2 2 316.489 3.183 20 0 DGADLP FC(F)(F)c1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000639911249 435457169 /nfs/dbraw/zinc/45/71/69/435457169.db2.gz XNMBYYZJRUZGKD-UHFFFAOYSA-N 2 2 309.335 3.350 20 0 DGADLP FC(F)(F)c1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000639911249 435457174 /nfs/dbraw/zinc/45/71/74/435457174.db2.gz XNMBYYZJRUZGKD-UHFFFAOYSA-N 2 2 309.335 3.350 20 0 DGADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988521 435481363 /nfs/dbraw/zinc/48/13/63/435481363.db2.gz UGPOKUOTVQDFSV-MRXNPFEDSA-N 2 2 323.525 3.020 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000537970732 435478447 /nfs/dbraw/zinc/47/84/47/435478447.db2.gz JKFAMRKASUJYIK-LUVWLHFXSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000537970732 435478454 /nfs/dbraw/zinc/47/84/54/435478454.db2.gz JKFAMRKASUJYIK-LUVWLHFXSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000639983620 435479920 /nfs/dbraw/zinc/47/99/20/435479920.db2.gz KUDHPYXFTIUSQD-SFHVURJKSA-N 2 2 320.452 3.464 20 0 DGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000537293932 435436355 /nfs/dbraw/zinc/43/63/55/435436355.db2.gz MZGZNZTZKWLXDI-TVFCKZIOSA-N 2 2 308.510 3.434 20 0 DGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000537293932 435436360 /nfs/dbraw/zinc/43/63/60/435436360.db2.gz MZGZNZTZKWLXDI-TVFCKZIOSA-N 2 2 308.510 3.434 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000481725374 435441281 /nfs/dbraw/zinc/44/12/81/435441281.db2.gz DPKLPDBHGUZPSD-MOPGFXCFSA-N 2 2 304.478 3.393 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc(C[NH+]2CCOCC2)c1 ZINC000569239082 435515514 /nfs/dbraw/zinc/51/55/14/435515514.db2.gz WKOSKTRZEYKHDY-PMACEKPBSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc(C[NH+]2CCOCC2)c1 ZINC000569239082 435515518 /nfs/dbraw/zinc/51/55/18/435515518.db2.gz WKOSKTRZEYKHDY-PMACEKPBSA-N 2 2 314.473 3.283 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)CC34CCCCC4)n2c1 ZINC000538724908 435518908 /nfs/dbraw/zinc/51/89/08/435518908.db2.gz IKESEFKOPLOZBC-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)CC34CCCCC4)n2c1 ZINC000538724908 435518910 /nfs/dbraw/zinc/51/89/10/435518910.db2.gz IKESEFKOPLOZBC-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000483686656 435527564 /nfs/dbraw/zinc/52/75/64/435527564.db2.gz AYBFTZJWVCTZME-AITUJVMLSA-N 2 2 302.462 3.145 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000483686656 435527567 /nfs/dbraw/zinc/52/75/67/435527567.db2.gz AYBFTZJWVCTZME-AITUJVMLSA-N 2 2 302.462 3.145 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C ZINC000516491648 435533663 /nfs/dbraw/zinc/53/36/63/435533663.db2.gz FWQBEGBVDQSELX-FQEVSTJZSA-N 2 2 316.489 3.299 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C ZINC000516491648 435533667 /nfs/dbraw/zinc/53/36/67/435533667.db2.gz FWQBEGBVDQSELX-FQEVSTJZSA-N 2 2 316.489 3.299 20 0 DGADLP Clc1cccc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000515498000 435487734 /nfs/dbraw/zinc/48/77/34/435487734.db2.gz DSOJLSHRJIJPCP-SFHVURJKSA-N 2 2 322.880 3.069 20 0 DGADLP Clc1cccc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000515498000 435487738 /nfs/dbraw/zinc/48/77/38/435487738.db2.gz DSOJLSHRJIJPCP-SFHVURJKSA-N 2 2 322.880 3.069 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](CCC(=O)c2ccc(OC)cc2)CC1 ZINC000640016068 435489990 /nfs/dbraw/zinc/48/99/90/435489990.db2.gz RSTNHYZVHCKALX-UHFFFAOYSA-N 2 2 318.461 3.074 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000486201623 435591985 /nfs/dbraw/zinc/59/19/85/435591985.db2.gz VXXNVJFRRDBZPR-RTWAWAEBSA-N 2 2 324.468 3.131 20 0 DGADLP [NH3+]C1(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC1 ZINC000649302097 435559182 /nfs/dbraw/zinc/55/91/82/435559182.db2.gz VWRFEFFIWBWDKT-UHFFFAOYSA-N 2 2 324.428 3.096 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000649304589 435562092 /nfs/dbraw/zinc/56/20/92/435562092.db2.gz LBVAKERVLZDXAK-QFYYESIMSA-N 2 2 323.799 3.158 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(F)c(Cl)cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000649304589 435562097 /nfs/dbraw/zinc/56/20/97/435562097.db2.gz LBVAKERVLZDXAK-QFYYESIMSA-N 2 2 323.799 3.158 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000486201617 435592041 /nfs/dbraw/zinc/59/20/41/435592041.db2.gz VXXNVJFRRDBZPR-LEWJYISDSA-N 2 2 324.468 3.131 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@H](c3cccs3)[NH+](C)C)c2c1C ZINC000645095374 435564608 /nfs/dbraw/zinc/56/46/08/435564608.db2.gz CWBWXZSSKWWDHZ-GFCCVEGCSA-N 2 2 315.446 3.351 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000569846229 435567850 /nfs/dbraw/zinc/56/78/50/435567850.db2.gz GALKEDPLCTZBMF-SJLPKXTDSA-N 2 2 304.478 3.474 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000569846229 435567855 /nfs/dbraw/zinc/56/78/55/435567855.db2.gz GALKEDPLCTZBMF-SJLPKXTDSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CC3 ZINC000539812666 435571537 /nfs/dbraw/zinc/57/15/37/435571537.db2.gz ASSQTNVACKEOPX-HZPDHXFCSA-N 2 2 311.473 3.265 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CC3 ZINC000539812666 435571540 /nfs/dbraw/zinc/57/15/40/435571540.db2.gz ASSQTNVACKEOPX-HZPDHXFCSA-N 2 2 311.473 3.265 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc(OC2CCCC2)c1 ZINC000539834869 435573402 /nfs/dbraw/zinc/57/34/02/435573402.db2.gz OWUARCFLQXBFLO-QFBILLFUSA-N 2 2 300.446 3.192 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc(OC2CCCC2)c1 ZINC000539834869 435573408 /nfs/dbraw/zinc/57/34/08/435573408.db2.gz OWUARCFLQXBFLO-QFBILLFUSA-N 2 2 300.446 3.192 20 0 DGADLP c1cc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cs2)co1 ZINC000649408879 435579552 /nfs/dbraw/zinc/57/95/52/435579552.db2.gz ARCKNAXAIRLKBB-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP c1cc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cs2)co1 ZINC000649408879 435579557 /nfs/dbraw/zinc/57/95/57/435579557.db2.gz ARCKNAXAIRLKBB-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415127 435582621 /nfs/dbraw/zinc/58/26/21/435582621.db2.gz LLBPJPLDABDCDI-UONOGXRCSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)c1 ZINC000649415127 435582626 /nfs/dbraw/zinc/58/26/26/435582626.db2.gz LLBPJPLDABDCDI-UONOGXRCSA-N 2 2 317.458 3.367 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2csc(Cc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416563 435583938 /nfs/dbraw/zinc/58/39/38/435583938.db2.gz DSBFVOWBCNRSFM-WBVHZDCISA-N 2 2 315.486 3.293 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2csc(Cc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416563 435583945 /nfs/dbraw/zinc/58/39/45/435583945.db2.gz DSBFVOWBCNRSFM-WBVHZDCISA-N 2 2 315.486 3.293 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1C ZINC000645176416 435586007 /nfs/dbraw/zinc/58/60/07/435586007.db2.gz LMPMCVFYNRZUAL-HNNXBMFYSA-N 2 2 313.449 3.029 20 0 DGADLP Cc1[nH]c(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC000516585322 435540236 /nfs/dbraw/zinc/54/02/36/435540236.db2.gz OHGHTVXAIFLKCZ-AWEZNQCLSA-N 2 2 300.450 3.027 20 0 DGADLP Cc1[nH]c(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC000516585322 435540239 /nfs/dbraw/zinc/54/02/39/435540239.db2.gz OHGHTVXAIFLKCZ-AWEZNQCLSA-N 2 2 300.450 3.027 20 0 DGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484476200 435546320 /nfs/dbraw/zinc/54/63/20/435546320.db2.gz UXZVEBWKGCLNNB-JEBQAFNWSA-N 2 2 322.493 3.476 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CCSC1 ZINC000484500771 435546358 /nfs/dbraw/zinc/54/63/58/435546358.db2.gz XYJZUTORKOKTMM-WMZOPIPTSA-N 2 2 304.503 3.436 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000517755360 435609403 /nfs/dbraw/zinc/60/94/03/435609403.db2.gz VJTZBEXJYCWMIW-LPHOPBHVSA-N 2 2 313.445 3.123 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000517755360 435609407 /nfs/dbraw/zinc/60/94/07/435609407.db2.gz VJTZBEXJYCWMIW-LPHOPBHVSA-N 2 2 313.445 3.123 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000649565623 435627563 /nfs/dbraw/zinc/62/75/63/435627563.db2.gz NYOZFPKRCFOQHC-YJBOKZPZSA-N 2 2 314.433 3.148 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000649565623 435627567 /nfs/dbraw/zinc/62/75/67/435627567.db2.gz NYOZFPKRCFOQHC-YJBOKZPZSA-N 2 2 314.433 3.148 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000518295945 435631464 /nfs/dbraw/zinc/63/14/64/435631464.db2.gz HTNLZNOYHWYYMD-SFHVURJKSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000518295945 435631467 /nfs/dbraw/zinc/63/14/67/435631467.db2.gz HTNLZNOYHWYYMD-SFHVURJKSA-N 2 2 304.397 3.257 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)c1cncnc1C)[N@@H+]1CCc2ccccc2C1 ZINC000517391242 435593339 /nfs/dbraw/zinc/59/33/39/435593339.db2.gz PBJNWQWZZASMLZ-DNVCBOLYSA-N 2 2 324.472 3.273 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)c1cncnc1C)[N@H+]1CCc2ccccc2C1 ZINC000517391242 435593342 /nfs/dbraw/zinc/59/33/42/435593342.db2.gz PBJNWQWZZASMLZ-DNVCBOLYSA-N 2 2 324.472 3.273 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540301390 435595677 /nfs/dbraw/zinc/59/56/77/435595677.db2.gz IVHYKGJMVIRSTJ-SFHVURJKSA-N 2 2 308.441 3.225 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540301390 435595682 /nfs/dbraw/zinc/59/56/82/435595682.db2.gz IVHYKGJMVIRSTJ-SFHVURJKSA-N 2 2 308.441 3.225 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC(=O)CC12CCC2 ZINC000570173544 435596129 /nfs/dbraw/zinc/59/61/29/435596129.db2.gz JPDCSWRTVRKBRF-UHFFFAOYSA-N 2 2 309.413 3.268 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC(=O)CC12CCC2 ZINC000570173544 435596132 /nfs/dbraw/zinc/59/61/32/435596132.db2.gz JPDCSWRTVRKBRF-UHFFFAOYSA-N 2 2 309.413 3.268 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000570985239 435667676 /nfs/dbraw/zinc/66/76/76/435667676.db2.gz GOMHKZWADKBQPL-HNAYVOBHSA-N 2 2 310.445 3.273 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc2c(n1)CCC2 ZINC000571381682 435701907 /nfs/dbraw/zinc/70/19/07/435701907.db2.gz JFDHBLDMXKQFKJ-UHFFFAOYSA-N 2 2 313.445 3.117 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc2c(n1)CCC2 ZINC000571381682 435701911 /nfs/dbraw/zinc/70/19/11/435701911.db2.gz JFDHBLDMXKQFKJ-UHFFFAOYSA-N 2 2 313.445 3.117 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccc2c(n1)CCC2)Cc1ccco1 ZINC000571381682 435701916 /nfs/dbraw/zinc/70/19/16/435701916.db2.gz JFDHBLDMXKQFKJ-UHFFFAOYSA-N 2 2 313.445 3.117 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccc2c(n1)CCC2)Cc1ccco1 ZINC000571381682 435701921 /nfs/dbraw/zinc/70/19/21/435701921.db2.gz JFDHBLDMXKQFKJ-UHFFFAOYSA-N 2 2 313.445 3.117 20 0 DGADLP C1C[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CO1 ZINC000655698800 435732910 /nfs/dbraw/zinc/73/29/10/435732910.db2.gz WAIVHLBLEKDPIH-RWQQGDIJSA-N 2 2 306.494 3.188 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC000655703653 435736802 /nfs/dbraw/zinc/73/68/02/435736802.db2.gz SMGIOUBJHZNBFN-UHFFFAOYSA-N 2 2 318.440 3.141 20 0 DGADLP CSc1cccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000660466187 435762773 /nfs/dbraw/zinc/76/27/73/435762773.db2.gz RMHVMLUFFCLCKN-UHFFFAOYSA-N 2 2 313.470 3.434 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]CCn3cc[nH+]c3)s2)cc1C ZINC000655713687 435743298 /nfs/dbraw/zinc/74/32/98/435743298.db2.gz SEXJGUDKZIMZHA-UHFFFAOYSA-N 2 2 312.442 3.413 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655712004 435744816 /nfs/dbraw/zinc/74/48/16/435744816.db2.gz LDJJJEWEGDAITI-APWZRJJASA-N 2 2 302.462 3.207 20 0 DGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716726 435746216 /nfs/dbraw/zinc/74/62/16/435746216.db2.gz YITWQHSKWYKHGC-LULLPPNCSA-N 2 2 308.510 3.290 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424762 435749490 /nfs/dbraw/zinc/74/94/90/435749490.db2.gz WRFFYWKGFVJNQF-HZPDHXFCSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424762 435749492 /nfs/dbraw/zinc/74/94/92/435749492.db2.gz WRFFYWKGFVJNQF-HZPDHXFCSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1cc(NCC2CC[NH+](CC3CC3)CC2)nc(C2CC2)[nH+]1 ZINC000664646342 435750105 /nfs/dbraw/zinc/75/01/05/435750105.db2.gz HTRNVVHXQWYUGX-UHFFFAOYSA-N 2 2 300.450 3.196 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000649798859 435708340 /nfs/dbraw/zinc/70/83/40/435708340.db2.gz JMKVSDZUDINYLA-MRXNPFEDSA-N 2 2 313.445 3.021 20 0 DGADLP c1[nH+]c([C@H]2CCC[N@@H+](CCC[C@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897815 435713989 /nfs/dbraw/zinc/71/39/89/435713989.db2.gz VPKJUETXHACYID-IRXDYDNUSA-N 2 2 317.477 3.216 20 0 DGADLP c1[nH+]c([C@H]2CCC[N@H+](CCC[C@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897815 435713992 /nfs/dbraw/zinc/71/39/92/435713992.db2.gz VPKJUETXHACYID-IRXDYDNUSA-N 2 2 317.477 3.216 20 0 DGADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c(C)o1 ZINC000660531634 435791267 /nfs/dbraw/zinc/79/12/67/435791267.db2.gz VLPZIKMBZAGBET-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP Fc1cccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000655779412 435792640 /nfs/dbraw/zinc/79/26/40/435792640.db2.gz KXBPSWOFUSTIOS-GOSISDBHSA-N 2 2 318.436 3.048 20 0 DGADLP CSc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)o1 ZINC000641707286 435793385 /nfs/dbraw/zinc/79/33/85/435793385.db2.gz JEFAHBHEJKNIJD-UHFFFAOYSA-N 2 2 301.415 3.449 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC2CCC1CC2 ZINC000655780740 435794067 /nfs/dbraw/zinc/79/40/67/435794067.db2.gz GDYAMIJYCVBNTA-NHMXRCTMSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000550255911 435798428 /nfs/dbraw/zinc/79/84/28/435798428.db2.gz YUZSRVLOAOXRPU-KPFFTGBYSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000550255911 435798431 /nfs/dbraw/zinc/79/84/31/435798431.db2.gz YUZSRVLOAOXRPU-KPFFTGBYSA-N 2 2 316.489 3.038 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733179 435800985 /nfs/dbraw/zinc/80/09/85/435800985.db2.gz GRVBVFVJQVGYJY-YJBOKZPZSA-N 2 2 324.472 3.285 20 0 DGADLP CCn1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000641733179 435800991 /nfs/dbraw/zinc/80/09/91/435800991.db2.gz GRVBVFVJQVGYJY-YJBOKZPZSA-N 2 2 324.472 3.285 20 0 DGADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000550897574 435813336 /nfs/dbraw/zinc/81/33/36/435813336.db2.gz FRTLZEQQBWVTQY-MBOZVWFJSA-N 2 2 318.505 3.210 20 0 DGADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000550897574 435813343 /nfs/dbraw/zinc/81/33/43/435813343.db2.gz FRTLZEQQBWVTQY-MBOZVWFJSA-N 2 2 318.505 3.210 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000550887387 435813615 /nfs/dbraw/zinc/81/36/15/435813615.db2.gz PTCWMNBDHDWUFH-AYOQOUSVSA-N 2 2 304.478 3.399 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000550897572 435814612 /nfs/dbraw/zinc/81/46/12/435814612.db2.gz FRTLZEQQBWVTQY-ABSDTBQOSA-N 2 2 318.505 3.210 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000550897572 435814619 /nfs/dbraw/zinc/81/46/19/435814619.db2.gz FRTLZEQQBWVTQY-ABSDTBQOSA-N 2 2 318.505 3.210 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000651756014 435816410 /nfs/dbraw/zinc/81/64/10/435816410.db2.gz GRUPZIGQIFMDAJ-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000651756014 435816415 /nfs/dbraw/zinc/81/64/15/435816415.db2.gz GRUPZIGQIFMDAJ-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000651756014 435816419 /nfs/dbraw/zinc/81/64/19/435816419.db2.gz GRUPZIGQIFMDAJ-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000651756014 435816427 /nfs/dbraw/zinc/81/64/27/435816427.db2.gz GRUPZIGQIFMDAJ-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655743463 435764454 /nfs/dbraw/zinc/76/44/54/435764454.db2.gz ITICJQWDDGKIQZ-YJBOKZPZSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655743463 435764455 /nfs/dbraw/zinc/76/44/55/435764455.db2.gz ITICJQWDDGKIQZ-YJBOKZPZSA-N 2 2 312.461 3.061 20 0 DGADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473670 435767477 /nfs/dbraw/zinc/76/74/77/435767477.db2.gz SIJSPHOHEAZUDU-UYAOXDASSA-N 2 2 316.489 3.194 20 0 DGADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473670 435767485 /nfs/dbraw/zinc/76/74/85/435767485.db2.gz SIJSPHOHEAZUDU-UYAOXDASSA-N 2 2 316.489 3.194 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3cc[nH+]c(C)n3)C2)s1 ZINC000641646899 435775059 /nfs/dbraw/zinc/77/50/59/435775059.db2.gz LPYWUWNEKSSWDB-HNNXBMFYSA-N 2 2 316.474 3.113 20 0 DGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655756428 435777675 /nfs/dbraw/zinc/77/76/75/435777675.db2.gz FMKRSUBABKFHBW-ZIFCJYIRSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C[C@H](C)C[NH+](C)C)cs2)cc1 ZINC000491595050 435778283 /nfs/dbraw/zinc/77/82/83/435778283.db2.gz WIWCDGYUWSYVTO-AWEZNQCLSA-N 2 2 303.475 3.406 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655763571 435783915 /nfs/dbraw/zinc/78/39/15/435783915.db2.gz QMQSAHOUKZSXHD-GDBMZVCRSA-N 2 2 320.502 3.312 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C2CC2)c1 ZINC000655771588 435785653 /nfs/dbraw/zinc/78/56/53/435785653.db2.gz NEXCWFOXYQNWDY-MGPUTAFESA-N 2 2 314.473 3.468 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000655835833 435831195 /nfs/dbraw/zinc/83/11/95/435831195.db2.gz XFOIKGWRBFENFU-ZDUSSCGKSA-N 2 2 315.383 3.019 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000655848127 435838332 /nfs/dbraw/zinc/83/83/32/435838332.db2.gz BWSCKBWNTVTLBV-WDSOQIARSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000655848127 435838335 /nfs/dbraw/zinc/83/83/35/435838335.db2.gz BWSCKBWNTVTLBV-WDSOQIARSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655849912 435838633 /nfs/dbraw/zinc/83/86/33/435838633.db2.gz QUNXOBUPUQYPEL-JCGIZDLHSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655849912 435838639 /nfs/dbraw/zinc/83/86/39/435838639.db2.gz QUNXOBUPUQYPEL-JCGIZDLHSA-N 2 2 318.461 3.371 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000655848590 435839795 /nfs/dbraw/zinc/83/97/95/435839795.db2.gz IGYAEDSCKPGTPD-QRVBRYPASA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000655848590 435839801 /nfs/dbraw/zinc/83/98/01/435839801.db2.gz IGYAEDSCKPGTPD-QRVBRYPASA-N 2 2 300.446 3.376 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848964 435840681 /nfs/dbraw/zinc/84/06/81/435840681.db2.gz MXITZUYNDQYXNM-RCCFBDPRSA-N 2 2 318.436 3.428 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848964 435840689 /nfs/dbraw/zinc/84/06/89/435840689.db2.gz MXITZUYNDQYXNM-RCCFBDPRSA-N 2 2 318.436 3.428 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000655847582 435840756 /nfs/dbraw/zinc/84/07/56/435840756.db2.gz BZZGNTPRQOQUJP-BHYGNILZSA-N 2 2 316.445 3.125 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000655847582 435840759 /nfs/dbraw/zinc/84/07/59/435840759.db2.gz BZZGNTPRQOQUJP-BHYGNILZSA-N 2 2 316.445 3.125 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000655848125 435841169 /nfs/dbraw/zinc/84/11/69/435841169.db2.gz BWSCKBWNTVTLBV-QXAKKESOSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000655848125 435841176 /nfs/dbraw/zinc/84/11/76/435841176.db2.gz BWSCKBWNTVTLBV-QXAKKESOSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655848468 435841239 /nfs/dbraw/zinc/84/12/39/435841239.db2.gz FPCJFFCGCNXION-MAZHCROVSA-N 2 2 323.868 3.411 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000655848468 435841245 /nfs/dbraw/zinc/84/12/45/435841245.db2.gz FPCJFFCGCNXION-MAZHCROVSA-N 2 2 323.868 3.411 20 0 DGADLP CC(C)c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000551589655 435842591 /nfs/dbraw/zinc/84/25/91/435842591.db2.gz AFUFSMPSNMEPIZ-AWEZNQCLSA-N 2 2 302.466 3.042 20 0 DGADLP CC(C)c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000551589655 435842598 /nfs/dbraw/zinc/84/25/98/435842598.db2.gz AFUFSMPSNMEPIZ-AWEZNQCLSA-N 2 2 302.466 3.042 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000655850370 435843526 /nfs/dbraw/zinc/84/35/26/435843526.db2.gz VGYHUOMQKMBCFY-WBAXXEDZSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000655850370 435843532 /nfs/dbraw/zinc/84/35/32/435843532.db2.gz VGYHUOMQKMBCFY-WBAXXEDZSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660660510 435847999 /nfs/dbraw/zinc/84/79/99/435847999.db2.gz YCEPLFYUNOYUEB-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660660510 435848005 /nfs/dbraw/zinc/84/80/05/435848005.db2.gz YCEPLFYUNOYUEB-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000660660510 435848011 /nfs/dbraw/zinc/84/80/11/435848011.db2.gz YCEPLFYUNOYUEB-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000660660510 435848019 /nfs/dbraw/zinc/84/80/19/435848019.db2.gz YCEPLFYUNOYUEB-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC4(CCCC4)O3)cc2)c[nH+]1 ZINC000655862055 435849537 /nfs/dbraw/zinc/84/95/37/435849537.db2.gz WEBVCKWDBDLZRO-SFHVURJKSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1F ZINC000651892331 435856705 /nfs/dbraw/zinc/85/67/05/435856705.db2.gz QFQMZHDHSBAXFH-CXAGYDPISA-N 2 2 308.441 3.100 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cccc2[nH+]ccn21)C1CCCCC1 ZINC000651910420 435862043 /nfs/dbraw/zinc/86/20/43/435862043.db2.gz SPDLGWWJGFIQND-UHFFFAOYSA-N 3 2 314.477 3.469 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cccc2[nH+]ccn21)C1CCCCC1 ZINC000651910420 435862049 /nfs/dbraw/zinc/86/20/49/435862049.db2.gz SPDLGWWJGFIQND-UHFFFAOYSA-N 3 2 314.477 3.469 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000651909106 435862876 /nfs/dbraw/zinc/86/28/76/435862876.db2.gz XCNNBUOWVGEZEI-WDYCEAGBSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H](OCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000651909106 435862882 /nfs/dbraw/zinc/86/28/82/435862882.db2.gz XCNNBUOWVGEZEI-WDYCEAGBSA-N 2 2 302.462 3.369 20 0 DGADLP FC1(F)CCC[C@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000572746079 435863366 /nfs/dbraw/zinc/86/33/66/435863366.db2.gz VYDJICHTWAAMTK-IRXDYDNUSA-N 2 2 308.416 3.471 20 0 DGADLP FC1(F)CCC[C@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000572746079 435863371 /nfs/dbraw/zinc/86/33/71/435863371.db2.gz VYDJICHTWAAMTK-IRXDYDNUSA-N 2 2 308.416 3.471 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000551947925 435863928 /nfs/dbraw/zinc/86/39/28/435863928.db2.gz LKBNYWYVYRXYHX-UHFFFAOYSA-N 2 2 313.445 3.242 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660707970 435864479 /nfs/dbraw/zinc/86/44/79/435864479.db2.gz KKKSQVBYXJIASK-LLVKDONJSA-N 2 2 317.824 3.414 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660707970 435864492 /nfs/dbraw/zinc/86/44/92/435864492.db2.gz KKKSQVBYXJIASK-LLVKDONJSA-N 2 2 317.824 3.414 20 0 DGADLP c1sc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nc1-c1ccccc1 ZINC000641800747 435827437 /nfs/dbraw/zinc/82/74/37/435827437.db2.gz FDPKCFOIBJHPSP-NVXWUHKLSA-N 2 2 313.470 3.384 20 0 DGADLP c1sc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nc1-c1ccccc1 ZINC000641800747 435827443 /nfs/dbraw/zinc/82/74/43/435827443.db2.gz FDPKCFOIBJHPSP-NVXWUHKLSA-N 2 2 313.470 3.384 20 0 DGADLP Cc1c[nH+]c(C)nc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000656107989 435891666 /nfs/dbraw/zinc/89/16/66/435891666.db2.gz JEHWTKHXTOKORW-UHFFFAOYSA-N 2 2 310.445 3.212 20 0 DGADLP C[C@]1([NH2+]Cc2[nH]nc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000652038756 435893870 /nfs/dbraw/zinc/89/38/70/435893870.db2.gz HNOWTBPLWHPWEB-FQEVSTJZSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@]1([NH2+]Cc2[nH]nc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000652038756 435893876 /nfs/dbraw/zinc/89/38/76/435893876.db2.gz HNOWTBPLWHPWEB-FQEVSTJZSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@@]1([NH2+]Cc2cnc3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000652038102 435894737 /nfs/dbraw/zinc/89/47/37/435894737.db2.gz JDJGZXKVVSEDCY-HXUWFJFHSA-N 2 2 320.440 3.089 20 0 DGADLP C[C@@]1([NH2+]Cc2cnc3ccccn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000652038102 435894740 /nfs/dbraw/zinc/89/47/40/435894740.db2.gz JDJGZXKVVSEDCY-HXUWFJFHSA-N 2 2 320.440 3.089 20 0 DGADLP CC(C)C[N@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000652222429 435925877 /nfs/dbraw/zinc/92/58/77/435925877.db2.gz OMKFGDSSSLURKX-KRWDZBQOSA-N 2 2 300.450 3.067 20 0 DGADLP CC(C)C[N@@H+](C)CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000652222429 435925880 /nfs/dbraw/zinc/92/58/80/435925880.db2.gz OMKFGDSSSLURKX-KRWDZBQOSA-N 2 2 300.450 3.067 20 0 DGADLP Cc1cc([C@@H]([NH2+]CC2([NH3+])CCCC2)c2cccnc2)ccc1F ZINC000665248014 435928122 /nfs/dbraw/zinc/92/81/22/435928122.db2.gz NNHXTIDFWJDERR-GOSISDBHSA-N 2 2 313.420 3.480 20 0 DGADLP COC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000665249550 435928331 /nfs/dbraw/zinc/92/83/31/435928331.db2.gz SLJBNGZTZFZLGJ-CQSZACIVSA-N 2 2 316.367 3.254 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000665247645 435929269 /nfs/dbraw/zinc/92/92/69/435929269.db2.gz GVIQJOZFHTZGMT-LDLYASANSA-N 3 2 313.489 3.043 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000665247645 435929272 /nfs/dbraw/zinc/92/92/72/435929272.db2.gz GVIQJOZFHTZGMT-LDLYASANSA-N 3 2 313.489 3.043 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCSC2)cc1 ZINC000665255430 435931230 /nfs/dbraw/zinc/93/12/30/435931230.db2.gz SDSUSRLPIJBIGT-NJAFHUGGSA-N 2 2 320.502 3.016 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cncs1 ZINC000665257570 435932641 /nfs/dbraw/zinc/93/26/41/435932641.db2.gz NCIQRMUMJLEKHV-NILFDRSVSA-N 2 2 305.422 3.079 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)C2 ZINC000656275716 435934172 /nfs/dbraw/zinc/93/41/72/435934172.db2.gz WBJCAZOTOGEIGJ-UHFFFAOYSA-N 2 2 320.396 3.100 20 0 DGADLP COc1ccc2c(c1)C[N@H+](Cc1cn(-c3cc[nH+]cc3)nc1C)C2 ZINC000656275716 435934174 /nfs/dbraw/zinc/93/41/74/435934174.db2.gz WBJCAZOTOGEIGJ-UHFFFAOYSA-N 2 2 320.396 3.100 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@H]2CCC[NH2+]2)cc1 ZINC000665265257 435934926 /nfs/dbraw/zinc/93/49/26/435934926.db2.gz TWDHUZSUXCYUGX-FZDIXFNVSA-N 2 2 318.461 3.036 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652355819 435960015 /nfs/dbraw/zinc/96/00/15/435960015.db2.gz IXZUFGFJRGLGNA-QMTHXVAHSA-N 2 2 302.249 3.338 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652355819 435960019 /nfs/dbraw/zinc/96/00/19/435960019.db2.gz IXZUFGFJRGLGNA-QMTHXVAHSA-N 2 2 302.249 3.338 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CO[C@H](C)C2)CCCC1)c1ccccc1 ZINC000647185036 435965441 /nfs/dbraw/zinc/96/54/41/435965441.db2.gz LZJJERLQJFMKNY-RYRKJORJSA-N 2 2 302.462 3.417 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196822 435970810 /nfs/dbraw/zinc/97/08/10/435970810.db2.gz NPYKVALJYCQTLV-YJBOKZPZSA-N 2 2 310.445 3.258 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196822 435970817 /nfs/dbraw/zinc/97/08/17/435970817.db2.gz NPYKVALJYCQTLV-YJBOKZPZSA-N 2 2 310.445 3.258 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661195572 435991787 /nfs/dbraw/zinc/99/17/87/435991787.db2.gz JWDREBMCWJVGGY-GOSISDBHSA-N 2 2 313.445 3.032 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661195572 435991790 /nfs/dbraw/zinc/99/17/90/435991790.db2.gz JWDREBMCWJVGGY-GOSISDBHSA-N 2 2 313.445 3.032 20 0 DGADLP CC1(C)C[C@@H]([N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CO1 ZINC000661198544 435993283 /nfs/dbraw/zinc/99/32/83/435993283.db2.gz LFIBTAVAENFVAW-GOSISDBHSA-N 2 2 313.445 3.343 20 0 DGADLP CC1(C)C[C@@H]([N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CO1 ZINC000661198544 435993289 /nfs/dbraw/zinc/99/32/89/435993289.db2.gz LFIBTAVAENFVAW-GOSISDBHSA-N 2 2 313.445 3.343 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)n1C ZINC000647251922 435993576 /nfs/dbraw/zinc/99/35/76/435993576.db2.gz OMDWIDHZWLTMKX-UHFFFAOYSA-N 2 2 318.852 3.309 20 0 DGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Oc2ccccc2)cn1 ZINC000665280188 435937470 /nfs/dbraw/zinc/93/74/70/435937470.db2.gz VJPNUNPZWQZKKZ-TZGCNFNXSA-N 2 2 309.413 3.277 20 0 DGADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000665296720 435942016 /nfs/dbraw/zinc/94/20/16/435942016.db2.gz XAYAOCOURYSVHF-RNCFNFMXSA-N 2 2 303.219 3.237 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000656433152 435946868 /nfs/dbraw/zinc/94/68/68/435946868.db2.gz GYPOPGXCOISOBZ-UHFFFAOYSA-N 2 2 305.372 3.120 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)[C@@H]1CC[NH3+] ZINC000652355251 435957262 /nfs/dbraw/zinc/95/72/62/435957262.db2.gz SNTFYTHSBSWIBK-GXTWGEPZSA-N 2 2 322.403 3.381 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)[C@@H]1CC[NH3+] ZINC000652355251 435957268 /nfs/dbraw/zinc/95/72/68/435957268.db2.gz SNTFYTHSBSWIBK-GXTWGEPZSA-N 2 2 322.403 3.381 20 0 DGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)c1C ZINC000652354554 435957688 /nfs/dbraw/zinc/95/76/88/435957688.db2.gz BTIQCRWYMKHMAX-XHDPSFHLSA-N 2 2 323.506 3.061 20 0 DGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)c1C ZINC000652354554 435957693 /nfs/dbraw/zinc/95/76/93/435957693.db2.gz BTIQCRWYMKHMAX-XHDPSFHLSA-N 2 2 323.506 3.061 20 0 DGADLP [NH3+]CC1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000650713382 436001046 /nfs/dbraw/zinc/00/10/46/436001046.db2.gz QWWOBISOJHLQGV-UHFFFAOYSA-N 3 2 321.896 3.023 20 0 DGADLP C[C@H]([NH2+]C1(c2ccccc2Br)CCC1)C1C[NH2+]C1 ZINC000650741299 436014561 /nfs/dbraw/zinc/01/45/61/436014561.db2.gz AKPBCWUZXPDGSH-NSHDSACASA-N 2 2 309.251 3.026 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)C[N@@H+]1Cc1ccccc1 ZINC000650751049 436018909 /nfs/dbraw/zinc/01/89/09/436018909.db2.gz PJBVGXVNOMVLIO-UXPWSPDFSA-N 2 2 321.468 3.276 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)C[N@H+]1Cc1ccccc1 ZINC000650751049 436018914 /nfs/dbraw/zinc/01/89/14/436018914.db2.gz PJBVGXVNOMVLIO-UXPWSPDFSA-N 2 2 321.468 3.276 20 0 DGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)c1ccc(F)cn1 ZINC000647363777 436031928 /nfs/dbraw/zinc/03/19/28/436031928.db2.gz JUGUZWLFWFICAX-INIZCTEOSA-N 2 2 312.392 3.460 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c[nH+]1 ZINC000656782722 436041887 /nfs/dbraw/zinc/04/18/87/436041887.db2.gz IZZVNHUYEBAIRC-IBGZPJMESA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c[nH+]1 ZINC000656782722 436041894 /nfs/dbraw/zinc/04/18/94/436041894.db2.gz IZZVNHUYEBAIRC-IBGZPJMESA-N 3 2 301.478 3.034 20 0 DGADLP COc1ccccc1/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789262 436046481 /nfs/dbraw/zinc/04/64/81/436046481.db2.gz UXDGJJAEQXMYOW-RHHFQONYSA-N 2 2 322.452 3.444 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000656789033 436047362 /nfs/dbraw/zinc/04/73/62/436047362.db2.gz NVAUMTIKGRVTKB-WOJBJXKFSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1-c1ccccc1 ZINC000647480630 436061089 /nfs/dbraw/zinc/06/10/89/436061089.db2.gz VRQWOARQUUNREJ-XLIONFOSSA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498448 436066654 /nfs/dbraw/zinc/06/66/54/436066654.db2.gz HHXJBBLVKFIUKO-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498448 436066656 /nfs/dbraw/zinc/06/66/56/436066656.db2.gz HHXJBBLVKFIUKO-HIFRSBDPSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509005 436069426 /nfs/dbraw/zinc/06/94/26/436069426.db2.gz FMPZZGWXFOIKQO-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1OC(F)F ZINC000647509005 436069427 /nfs/dbraw/zinc/06/94/27/436069427.db2.gz FMPZZGWXFOIKQO-UWVGGRQHSA-N 2 2 304.768 3.111 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647536961 436075819 /nfs/dbraw/zinc/07/58/19/436075819.db2.gz POSZODWZNKEGAD-KRWDZBQOSA-N 2 2 305.491 3.376 20 0 DGADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647536961 436075825 /nfs/dbraw/zinc/07/58/25/436075825.db2.gz POSZODWZNKEGAD-KRWDZBQOSA-N 2 2 305.491 3.376 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000647548614 436080824 /nfs/dbraw/zinc/08/08/24/436080824.db2.gz KWEWOTBFULZZDE-ABSDTBQOSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000647548614 436080829 /nfs/dbraw/zinc/08/08/29/436080829.db2.gz KWEWOTBFULZZDE-ABSDTBQOSA-N 3 2 315.505 3.149 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548540 436081477 /nfs/dbraw/zinc/08/14/77/436081477.db2.gz HBIKDSLKOSZXGQ-DOTOQJQBSA-N 2 2 312.461 3.083 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000647549841 436082863 /nfs/dbraw/zinc/08/28/63/436082863.db2.gz TVMPBMYTENVLEQ-FUHWJXTLSA-N 2 2 310.441 3.320 20 0 DGADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000647550729 436083090 /nfs/dbraw/zinc/08/30/90/436083090.db2.gz FANGDGOEYAEGCL-HIFRSBDPSA-N 2 2 315.392 3.101 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553734 436083239 /nfs/dbraw/zinc/08/32/39/436083239.db2.gz IIJQOPKZVHSZKB-MRXNPFEDSA-N 2 2 304.482 3.019 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661489844 436083233 /nfs/dbraw/zinc/08/32/33/436083233.db2.gz CGIZRUQJOFESMZ-BEFAXECRSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661489844 436083238 /nfs/dbraw/zinc/08/32/38/436083238.db2.gz CGIZRUQJOFESMZ-BEFAXECRSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661489852 436085479 /nfs/dbraw/zinc/08/54/79/436085479.db2.gz CGIZRUQJOFESMZ-KXBFYZLASA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661489852 436085486 /nfs/dbraw/zinc/08/54/86/436085486.db2.gz CGIZRUQJOFESMZ-KXBFYZLASA-N 2 2 313.445 3.164 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000647644710 436094169 /nfs/dbraw/zinc/09/41/69/436094169.db2.gz RJFFGPXSQQEGNE-INIZCTEOSA-N 2 2 312.417 3.070 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000647644710 436094173 /nfs/dbraw/zinc/09/41/73/436094173.db2.gz RJFFGPXSQQEGNE-INIZCTEOSA-N 2 2 312.417 3.070 20 0 DGADLP Fc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1OC(F)F ZINC000657306909 436129811 /nfs/dbraw/zinc/12/98/11/436129811.db2.gz BLAKUYSRCVCVQZ-LLVKDONJSA-N 2 2 314.351 3.001 20 0 DGADLP Fc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1OC(F)F ZINC000657306909 436129816 /nfs/dbraw/zinc/12/98/16/436129816.db2.gz BLAKUYSRCVCVQZ-LLVKDONJSA-N 2 2 314.351 3.001 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1F)C[NH+]1CCCCC1 ZINC000657317467 436134292 /nfs/dbraw/zinc/13/42/92/436134292.db2.gz XVCJYYBTFKNJNP-LBPRGKRZSA-N 2 2 300.368 3.316 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934406 436151985 /nfs/dbraw/zinc/15/19/85/436151985.db2.gz DQTQKYCTHKSLQF-DYVFJYSZSA-N 2 2 318.852 3.085 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000647934406 436151992 /nfs/dbraw/zinc/15/19/92/436151992.db2.gz DQTQKYCTHKSLQF-DYVFJYSZSA-N 2 2 318.852 3.085 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647934693 436152692 /nfs/dbraw/zinc/15/26/92/436152692.db2.gz NALLCJRSAHYOQZ-NXEZZACHSA-N 2 2 307.385 3.030 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647934693 436152695 /nfs/dbraw/zinc/15/26/95/436152695.db2.gz NALLCJRSAHYOQZ-NXEZZACHSA-N 2 2 307.385 3.030 20 0 DGADLP CC1([NH3+])CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000647927049 436152907 /nfs/dbraw/zinc/15/29/07/436152907.db2.gz XRFOPIBIZSLDGC-UHFFFAOYSA-N 2 2 303.233 3.185 20 0 DGADLP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(C)([NH3+])CC3)n2)ccc1F ZINC000647925577 436153131 /nfs/dbraw/zinc/15/31/31/436153131.db2.gz OPLUYWFJVODPEM-LBPRGKRZSA-N 2 2 318.396 3.058 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657285667 436114243 /nfs/dbraw/zinc/11/42/43/436114243.db2.gz MFFHDLDKESVYDG-UHFFFAOYSA-N 2 2 304.356 3.105 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000657297348 436122244 /nfs/dbraw/zinc/12/22/44/436122244.db2.gz MAETVENJZJBCOC-ROUUACIJSA-N 2 2 322.880 3.462 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CO1 ZINC000657298151 436123631 /nfs/dbraw/zinc/12/36/31/436123631.db2.gz TVDIXRYFUFLERA-LMMKCTJWSA-N 2 2 320.477 3.235 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968002 436166016 /nfs/dbraw/zinc/16/60/16/436166016.db2.gz INAVYZDMIVWCHX-LPHOPBHVSA-N 2 2 315.461 3.008 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968002 436166020 /nfs/dbraw/zinc/16/60/20/436166020.db2.gz INAVYZDMIVWCHX-LPHOPBHVSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968002 436166027 /nfs/dbraw/zinc/16/60/27/436166027.db2.gz INAVYZDMIVWCHX-LPHOPBHVSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968002 436166030 /nfs/dbraw/zinc/16/60/30/436166030.db2.gz INAVYZDMIVWCHX-LPHOPBHVSA-N 2 2 315.461 3.008 20 0 DGADLP Cc1c[nH]c(CNCC2([NH2+][C@H](C)c3ccccc3)CCCC2)[nH+]1 ZINC000657369823 436163579 /nfs/dbraw/zinc/16/35/79/436163579.db2.gz GPDRBJXAZVVYGI-MRXNPFEDSA-N 2 2 312.461 3.471 20 0 DGADLP Clc1cccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccn2)c1 ZINC000647991916 436172062 /nfs/dbraw/zinc/17/20/62/436172062.db2.gz FQLFKLKVTBVOAB-GUYCJALGSA-N 2 2 301.821 3.024 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000648010620 436177384 /nfs/dbraw/zinc/17/73/84/436177384.db2.gz LFVBQVIALRGFHF-WMZOPIPTSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000648010620 436177388 /nfs/dbraw/zinc/17/73/88/436177388.db2.gz LFVBQVIALRGFHF-WMZOPIPTSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000648010620 436177393 /nfs/dbraw/zinc/17/73/93/436177393.db2.gz LFVBQVIALRGFHF-WMZOPIPTSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000648010620 436177396 /nfs/dbraw/zinc/17/73/96/436177396.db2.gz LFVBQVIALRGFHF-WMZOPIPTSA-N 2 2 312.461 3.095 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000657526813 436235222 /nfs/dbraw/zinc/23/52/22/436235222.db2.gz MGYBAMYVCIGDAP-IAGOWNOFSA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000657526813 436235227 /nfs/dbraw/zinc/23/52/27/436235227.db2.gz MGYBAMYVCIGDAP-IAGOWNOFSA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000657526817 436235309 /nfs/dbraw/zinc/23/53/09/436235309.db2.gz MGYBAMYVCIGDAP-SJORKVTESA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000657526817 436235314 /nfs/dbraw/zinc/23/53/14/436235314.db2.gz MGYBAMYVCIGDAP-SJORKVTESA-N 2 2 302.462 3.015 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000666264746 436190009 /nfs/dbraw/zinc/19/00/09/436190009.db2.gz MZCGZZSGUIRPCI-QRVBRYPASA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000666264746 436190012 /nfs/dbraw/zinc/19/00/12/436190012.db2.gz MZCGZZSGUIRPCI-QRVBRYPASA-N 2 2 316.489 3.180 20 0 DGADLP CCOc1ccc(Cl)cc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657419148 436191721 /nfs/dbraw/zinc/19/17/21/436191721.db2.gz QIZUNTYWKWPJFH-UHFFFAOYSA-N 2 2 319.836 3.214 20 0 DGADLP FC(F)(F)[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657440069 436202185 /nfs/dbraw/zinc/20/21/85/436202185.db2.gz MNWDCAZCFOIPLK-AWEZNQCLSA-N 2 2 309.335 3.265 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](C(C)C)C3(CO)CC=CC3)c[nH+]c12 ZINC000648069818 436202981 /nfs/dbraw/zinc/20/29/81/436202981.db2.gz OMFGFMKYGTVNFB-QGZVFWFLSA-N 2 2 313.445 3.086 20 0 DGADLP CC[C@H](OCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590024 436218257 /nfs/dbraw/zinc/21/82/57/436218257.db2.gz JNRAUSRCMPRLAN-ROUUACIJSA-N 2 2 313.445 3.377 20 0 DGADLP CC[C@H](OCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590024 436218259 /nfs/dbraw/zinc/21/82/59/436218259.db2.gz JNRAUSRCMPRLAN-ROUUACIJSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1ccc(Br)c(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657492849 436226220 /nfs/dbraw/zinc/22/62/20/436226220.db2.gz NGNIXEKSMSCNTB-UHFFFAOYSA-N 2 2 320.234 3.190 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](c3ccccc3)[C@H](O)C(C)C)c[nH+]c12 ZINC000657748634 436294246 /nfs/dbraw/zinc/29/42/46/436294246.db2.gz VUKBZDPYUMELMM-RBUKOAKNSA-N 2 2 323.440 3.491 20 0 DGADLP Cc1ccc2oc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC000657751525 436295639 /nfs/dbraw/zinc/29/56/39/436295639.db2.gz RPNKPBUEIUTKRL-KRWDZBQOSA-N 2 2 314.429 3.084 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752540 436295760 /nfs/dbraw/zinc/29/57/60/436295760.db2.gz PMBHBBXLZVJJPJ-INIZCTEOSA-N 2 2 322.880 3.245 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000657563413 436247720 /nfs/dbraw/zinc/24/77/20/436247720.db2.gz NZNWWHHQVIBFOV-IAGOWNOFSA-N 2 2 302.462 3.015 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000657563413 436247721 /nfs/dbraw/zinc/24/77/21/436247721.db2.gz NZNWWHHQVIBFOV-IAGOWNOFSA-N 2 2 302.462 3.015 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657619589 436261824 /nfs/dbraw/zinc/26/18/24/436261824.db2.gz RNYOTWZDKLHAMR-JKSUJKDBSA-N 2 2 324.415 3.053 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657619589 436261825 /nfs/dbraw/zinc/26/18/25/436261825.db2.gz RNYOTWZDKLHAMR-JKSUJKDBSA-N 2 2 324.415 3.053 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3(CC(C)C)CC3)c2cc1C ZINC000662071215 436264676 /nfs/dbraw/zinc/26/46/76/436264676.db2.gz RTKBXJRIAQYZMF-INIZCTEOSA-N 2 2 315.461 3.182 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662091329 436273188 /nfs/dbraw/zinc/27/31/88/436273188.db2.gz FAFNPRRCKIZHIR-HNNXBMFYSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662091329 436273192 /nfs/dbraw/zinc/27/31/92/436273192.db2.gz FAFNPRRCKIZHIR-HNNXBMFYSA-N 2 2 320.234 3.172 20 0 DGADLP C[C@]1(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1(F)F ZINC000657670101 436274270 /nfs/dbraw/zinc/27/42/70/436274270.db2.gz JYVRJDGAWBKBLQ-LBPRGKRZSA-N 2 2 314.342 3.428 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@@H+]1Cc1ccccc1 ZINC000658014515 436354035 /nfs/dbraw/zinc/35/40/35/436354035.db2.gz WOZXNCNTQRHJKH-PBHICJAKSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C2CC(CF)(CF)C2)CC[N@H+]1Cc1ccccc1 ZINC000658014515 436354039 /nfs/dbraw/zinc/35/40/39/436354039.db2.gz WOZXNCNTQRHJKH-PBHICJAKSA-N 2 2 308.416 3.327 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1COC2(CCC2)C1)[NH+](C)C ZINC000657987062 436350282 /nfs/dbraw/zinc/35/02/82/436350282.db2.gz ZWPXCOKROQBKKS-JZXOWHBKSA-N 2 2 302.462 3.287 20 0 DGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCCC1 ZINC000657766923 436298582 /nfs/dbraw/zinc/29/85/82/436298582.db2.gz KXSDIARHAVHYDJ-GOSISDBHSA-N 2 2 317.408 3.306 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912006 436299250 /nfs/dbraw/zinc/29/92/50/436299250.db2.gz DAZKJZZYIHJTTK-SFHVURJKSA-N 2 2 307.397 3.494 20 0 DGADLP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000662233523 436305650 /nfs/dbraw/zinc/30/56/50/436305650.db2.gz GIKNTUMPOGBDSP-ACJLOTCBSA-N 2 2 315.417 3.052 20 0 DGADLP COc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000662233523 436305652 /nfs/dbraw/zinc/30/56/52/436305652.db2.gz GIKNTUMPOGBDSP-ACJLOTCBSA-N 2 2 315.417 3.052 20 0 DGADLP Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)[C@H]21 ZINC000657791395 436305711 /nfs/dbraw/zinc/30/57/11/436305711.db2.gz RUVBSCTZAADOBZ-XUVXKRRUSA-N 2 2 319.383 3.439 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662232582 436306065 /nfs/dbraw/zinc/30/60/65/436306065.db2.gz BDJINSUFTRBQNF-OCCSQVGLSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662232582 436306068 /nfs/dbraw/zinc/30/60/68/436306068.db2.gz BDJINSUFTRBQNF-OCCSQVGLSA-N 2 2 319.371 3.013 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1F ZINC000662236424 436309730 /nfs/dbraw/zinc/30/97/30/436309730.db2.gz XXNSUGPWTCCLHE-BXUZGUMPSA-N 2 2 300.418 3.259 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCSc1ccc(F)cc1F ZINC000662236424 436309733 /nfs/dbraw/zinc/30/97/33/436309733.db2.gz XXNSUGPWTCCLHE-BXUZGUMPSA-N 2 2 300.418 3.259 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662247235 436311227 /nfs/dbraw/zinc/31/12/27/436311227.db2.gz WAORQSUWZYGVMF-LLVKDONJSA-N 2 2 323.234 3.237 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662247235 436311230 /nfs/dbraw/zinc/31/12/30/436311230.db2.gz WAORQSUWZYGVMF-LLVKDONJSA-N 2 2 323.234 3.237 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000666945258 436313253 /nfs/dbraw/zinc/31/32/53/436313253.db2.gz HDNLFBWXJPAOQF-KBPBESRZSA-N 2 2 308.784 3.390 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+](C)C)cc1 ZINC000657818858 436316503 /nfs/dbraw/zinc/31/65/03/436316503.db2.gz UZKMDOUSYXLXSU-ROUUACIJSA-N 2 2 302.462 3.153 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)sc2c1 ZINC000666993764 436320749 /nfs/dbraw/zinc/32/07/49/436320749.db2.gz HTAUHDPXGYBBAX-GFCCVEGCSA-N 2 2 305.422 3.200 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1OC(F)F ZINC000662272631 436321319 /nfs/dbraw/zinc/32/13/19/436321319.db2.gz HARYYIFEFMVYJQ-LBPRGKRZSA-N 2 2 302.340 3.130 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1OC(F)F ZINC000662272631 436321323 /nfs/dbraw/zinc/32/13/23/436321323.db2.gz HARYYIFEFMVYJQ-LBPRGKRZSA-N 2 2 302.340 3.130 20 0 DGADLP Brc1ccsc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996719 436321745 /nfs/dbraw/zinc/32/17/45/436321745.db2.gz BFGZXHYMJWESMZ-JTQLQIEISA-N 2 2 315.280 3.275 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657840711 436323108 /nfs/dbraw/zinc/32/31/08/436323108.db2.gz VLGWLNRBGPSKHF-IBGZPJMESA-N 2 2 324.472 3.281 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2OC(F)F)C[C@@H]1C[NH3+] ZINC000662283094 436323775 /nfs/dbraw/zinc/32/37/75/436323775.db2.gz KNQCWHKMKFPNOS-WZRBSPASSA-N 2 2 316.367 3.232 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(F)c2OC(F)F)C[C@@H]1C[NH3+] ZINC000662283094 436323778 /nfs/dbraw/zinc/32/37/78/436323778.db2.gz KNQCWHKMKFPNOS-WZRBSPASSA-N 2 2 316.367 3.232 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876205 436331168 /nfs/dbraw/zinc/33/11/68/436331168.db2.gz KSTLFBUVDHPKAC-SWLSCSKDSA-N 2 2 301.459 3.431 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876205 436331170 /nfs/dbraw/zinc/33/11/70/436331170.db2.gz KSTLFBUVDHPKAC-SWLSCSKDSA-N 2 2 301.459 3.431 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324421 436331854 /nfs/dbraw/zinc/33/18/54/436331854.db2.gz XQVNJWDVLHHBPE-DZGCQCFKSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324421 436331858 /nfs/dbraw/zinc/33/18/58/436331858.db2.gz XQVNJWDVLHHBPE-DZGCQCFKSA-N 2 2 312.404 3.068 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3cnccc3c2)C[C@H]1c1ccccc1F ZINC000667052146 436331970 /nfs/dbraw/zinc/33/19/70/436331970.db2.gz LLKPOLAWJRTBOP-AZUAARDMSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1c1ccccc1F ZINC000667052146 436331976 /nfs/dbraw/zinc/33/19/76/436331976.db2.gz LLKPOLAWJRTBOP-AZUAARDMSA-N 2 2 321.399 3.301 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657894728 436334808 /nfs/dbraw/zinc/33/48/08/436334808.db2.gz BCTBXLHGLPPYLR-DLBZAZTESA-N 2 2 311.429 3.005 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nccc32)CC[N@@H+]1Cc1ccccc1 ZINC000657901672 436336624 /nfs/dbraw/zinc/33/66/24/436336624.db2.gz RXEZTTMLXUVAJS-QRQLOZEOSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nccc32)CC[N@H+]1Cc1ccccc1 ZINC000657901672 436336628 /nfs/dbraw/zinc/33/66/28/436336628.db2.gz RXEZTTMLXUVAJS-QRQLOZEOSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@](C)(C(F)F)O1 ZINC000662360121 436337296 /nfs/dbraw/zinc/33/72/96/436337296.db2.gz FECXRHLVNVEFMN-DYVFJYSZSA-N 2 2 321.371 3.117 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@](C)(C(F)F)O1 ZINC000662360121 436337300 /nfs/dbraw/zinc/33/73/00/436337300.db2.gz FECXRHLVNVEFMN-DYVFJYSZSA-N 2 2 321.371 3.117 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000654087746 436340793 /nfs/dbraw/zinc/34/07/93/436340793.db2.gz LTNVHZDAIIAPKO-JKSUJKDBSA-N 2 2 316.449 3.145 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC000658059091 436361542 /nfs/dbraw/zinc/36/15/42/436361542.db2.gz HTEJWGPZUIFIKE-HZPDHXFCSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C2 ZINC000658059091 436361546 /nfs/dbraw/zinc/36/15/46/436361546.db2.gz HTEJWGPZUIFIKE-HZPDHXFCSA-N 2 2 302.462 3.015 20 0 DGADLP C1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2(C1)CCCCC2 ZINC000658068965 436364351 /nfs/dbraw/zinc/36/43/51/436364351.db2.gz IHAVWDRLGQHLQB-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658091644 436371559 /nfs/dbraw/zinc/37/15/59/436371559.db2.gz MUMZSSBATNAEJH-RDJZCZTQSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000658091644 436371563 /nfs/dbraw/zinc/37/15/63/436371563.db2.gz MUMZSSBATNAEJH-RDJZCZTQSA-N 2 2 317.477 3.175 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093020 436374388 /nfs/dbraw/zinc/37/43/88/436374388.db2.gz SVCCLENLNOOLEO-MJGOQNOKSA-N 2 2 316.489 3.479 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C2CC2)c1 ZINC000658093020 436374391 /nfs/dbraw/zinc/37/43/91/436374391.db2.gz SVCCLENLNOOLEO-MJGOQNOKSA-N 2 2 316.489 3.479 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000658220277 436403394 /nfs/dbraw/zinc/40/33/94/436403394.db2.gz PKBVOGBQKBEING-BHIYHBOVSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000658220277 436403397 /nfs/dbraw/zinc/40/33/97/436403397.db2.gz PKBVOGBQKBEING-BHIYHBOVSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000658238158 436407962 /nfs/dbraw/zinc/40/79/62/436407962.db2.gz HXNNBEHWSMRPSB-SJLPKXTDSA-N 2 2 301.478 3.039 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238031 436408149 /nfs/dbraw/zinc/40/81/49/436408149.db2.gz PMOCTWQJBRXBFC-NQERJWCQSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658238031 436408152 /nfs/dbraw/zinc/40/81/52/436408152.db2.gz PMOCTWQJBRXBFC-NQERJWCQSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020841 436355853 /nfs/dbraw/zinc/35/58/53/436355853.db2.gz ZCYQAIUGDSZZSQ-RDTXWAMCSA-N 2 2 309.457 3.367 20 0 DGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020841 436355855 /nfs/dbraw/zinc/35/58/55/436355855.db2.gz ZCYQAIUGDSZZSQ-RDTXWAMCSA-N 2 2 309.457 3.367 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658026375 436355972 /nfs/dbraw/zinc/35/59/72/436355972.db2.gz SVZZRQIBHNUATI-ZWKOTPCHSA-N 2 2 324.896 3.098 20 0 DGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658026375 436355974 /nfs/dbraw/zinc/35/59/74/436355974.db2.gz SVZZRQIBHNUATI-ZWKOTPCHSA-N 2 2 324.896 3.098 20 0 DGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020835 436356063 /nfs/dbraw/zinc/35/60/63/436356063.db2.gz ZCYQAIUGDSZZSQ-KBXCAEBGSA-N 2 2 309.457 3.367 20 0 DGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000658020835 436356068 /nfs/dbraw/zinc/35/60/68/436356068.db2.gz ZCYQAIUGDSZZSQ-KBXCAEBGSA-N 2 2 309.457 3.367 20 0 DGADLP CC1(C)OCC[C@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658331505 436433350 /nfs/dbraw/zinc/43/33/50/436433350.db2.gz MXUXLPACUSBTMV-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)OCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658331505 436433354 /nfs/dbraw/zinc/43/33/54/436433354.db2.gz MXUXLPACUSBTMV-ROUUACIJSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658340972 436435749 /nfs/dbraw/zinc/43/57/49/436435749.db2.gz SMZTZTIUJYBSQV-PXNSSMCTSA-N 2 2 314.473 3.215 20 0 DGADLP C([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1nc2c(s1)CCCC2 ZINC000663346934 436443497 /nfs/dbraw/zinc/44/34/97/436443497.db2.gz XZPOYTZPJYBJCI-HNNXBMFYSA-N 2 2 319.518 3.234 20 0 DGADLP C([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1nc2c(s1)CCCC2 ZINC000663346934 436443498 /nfs/dbraw/zinc/44/34/98/436443498.db2.gz XZPOYTZPJYBJCI-HNNXBMFYSA-N 2 2 319.518 3.234 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286274 436418522 /nfs/dbraw/zinc/41/85/22/436418522.db2.gz QVHMMSPBDXRSKV-RHSMWYFYSA-N 2 2 317.433 3.304 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286274 436418527 /nfs/dbraw/zinc/41/85/27/436418527.db2.gz QVHMMSPBDXRSKV-RHSMWYFYSA-N 2 2 317.433 3.304 20 0 DGADLP Cc1cccc(CC[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000658296263 436420381 /nfs/dbraw/zinc/42/03/81/436420381.db2.gz YHESLZWEGXQDLW-YLJYHZDGSA-N 2 2 316.489 3.159 20 0 DGADLP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658293334 436420479 /nfs/dbraw/zinc/42/04/79/436420479.db2.gz FSEXIDGNYHUSJI-DOTOQJQBSA-N 2 2 318.461 3.136 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000480246320 301786099 /nfs/dbraw/zinc/78/60/99/301786099.db2.gz YPUHOJYZNIIMFM-BZSNNMDCSA-N 2 2 304.478 3.453 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000663475050 436468050 /nfs/dbraw/zinc/46/80/50/436468050.db2.gz SKKOXKVENJUEBB-UHFFFAOYSA-N 2 2 301.356 3.063 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC(n3cc[nH+]c3)CC2)[nH+]1 ZINC000663480474 436469497 /nfs/dbraw/zinc/46/94/97/436469497.db2.gz AAYLJZFALDXBSF-UHFFFAOYSA-N 2 2 310.323 3.447 20 0 DGADLP FC(F)(F)c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1Cl ZINC000663501418 436470323 /nfs/dbraw/zinc/47/03/23/436470323.db2.gz HRQLAXQUPSOXLY-UHFFFAOYSA-N 2 2 304.743 3.200 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000663508658 436471981 /nfs/dbraw/zinc/47/19/81/436471981.db2.gz RHHJWQRNGMRQJH-AWEZNQCLSA-N 2 2 302.393 3.102 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CCC[C@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000663538730 436476475 /nfs/dbraw/zinc/47/64/75/436476475.db2.gz HRYKIJGGODXSEF-ZDUSSCGKSA-N 2 2 310.323 3.447 20 0 DGADLP Cc1cc(C(F)(F)F)cc(NC[C@@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000663688222 436492427 /nfs/dbraw/zinc/49/24/27/436492427.db2.gz WNHLAJOMNGSDEJ-ZDUSSCGKSA-N 2 2 319.396 3.258 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000663740192 436499283 /nfs/dbraw/zinc/49/92/83/436499283.db2.gz BIDJQRVYRBSOPJ-ZDUSSCGKSA-N 2 2 322.334 3.495 20 0 DGADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC000659930809 436561166 /nfs/dbraw/zinc/56/11/66/436561166.db2.gz GHYCCQVWNXBQHN-UHFFFAOYSA-N 2 2 318.505 3.263 20 0 DGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC000659930809 436561172 /nfs/dbraw/zinc/56/11/72/436561172.db2.gz GHYCCQVWNXBQHN-UHFFFAOYSA-N 2 2 318.505 3.263 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972902 436571761 /nfs/dbraw/zinc/57/17/61/436571761.db2.gz HLIJKCYNNZNJBU-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972902 436571766 /nfs/dbraw/zinc/57/17/66/436571766.db2.gz HLIJKCYNNZNJBU-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972902 436571770 /nfs/dbraw/zinc/57/17/70/436571770.db2.gz HLIJKCYNNZNJBU-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000659972902 436571773 /nfs/dbraw/zinc/57/17/73/436571773.db2.gz HLIJKCYNNZNJBU-LJQANCHMSA-N 2 2 324.472 3.047 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000655686482 436573915 /nfs/dbraw/zinc/57/39/15/436573915.db2.gz IONVKBNFUBMQFW-YOEHRIQHSA-N 2 2 301.459 3.305 20 0 DGADLP COc1cccc(SCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000659997938 436575898 /nfs/dbraw/zinc/57/58/98/436575898.db2.gz GEAOCHBGYNROMJ-UHFFFAOYSA-N 2 2 317.458 3.321 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000660307329 436621867 /nfs/dbraw/zinc/62/18/67/436621867.db2.gz WIIACWSIAKRLJP-HNAYVOBHSA-N 2 2 313.445 3.237 20 0 DGADLP CCc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000660307329 436621869 /nfs/dbraw/zinc/62/18/69/436621869.db2.gz WIIACWSIAKRLJP-HNAYVOBHSA-N 2 2 313.445 3.237 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000660306660 436622031 /nfs/dbraw/zinc/62/20/31/436622031.db2.gz UFEPSSPUDOBZFM-KBXCAEBGSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000660306660 436622032 /nfs/dbraw/zinc/62/20/32/436622032.db2.gz UFEPSSPUDOBZFM-KBXCAEBGSA-N 2 2 313.445 3.292 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083464 436588184 /nfs/dbraw/zinc/58/81/84/436588184.db2.gz TZWXYPLBWACPML-CJNGLKHVSA-N 2 2 303.475 3.458 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083464 436588185 /nfs/dbraw/zinc/58/81/85/436588185.db2.gz TZWXYPLBWACPML-CJNGLKHVSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083464 436588186 /nfs/dbraw/zinc/58/81/86/436588186.db2.gz TZWXYPLBWACPML-CJNGLKHVSA-N 2 2 303.475 3.458 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nsc3ccccc32)[C@H](C)C1 ZINC000660083464 436588187 /nfs/dbraw/zinc/58/81/87/436588187.db2.gz TZWXYPLBWACPML-CJNGLKHVSA-N 2 2 303.475 3.458 20 0 DGADLP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116103 436589827 /nfs/dbraw/zinc/58/98/27/436589827.db2.gz VLPRACRJCFJPNT-KBXCAEBGSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)onc1C1CC1 ZINC000660116103 436589828 /nfs/dbraw/zinc/58/98/28/436589828.db2.gz VLPRACRJCFJPNT-KBXCAEBGSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116103 436589832 /nfs/dbraw/zinc/58/98/32/436589832.db2.gz VLPRACRJCFJPNT-KBXCAEBGSA-N 2 2 301.434 3.001 20 0 DGADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)onc1C1CC1 ZINC000660116103 436589834 /nfs/dbraw/zinc/58/98/34/436589834.db2.gz VLPRACRJCFJPNT-KBXCAEBGSA-N 2 2 301.434 3.001 20 0 DGADLP COc1cccc(SCC[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000660146557 436595003 /nfs/dbraw/zinc/59/50/03/436595003.db2.gz HIADISUQEMZEON-UHFFFAOYSA-N 2 2 305.447 3.006 20 0 DGADLP COc1cccc(SCC[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000660146557 436595005 /nfs/dbraw/zinc/59/50/05/436595005.db2.gz HIADISUQEMZEON-UHFFFAOYSA-N 2 2 305.447 3.006 20 0 DGADLP CCc1ccc(C2=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)cc1 ZINC000660169807 436599624 /nfs/dbraw/zinc/59/96/24/436599624.db2.gz QBCZGROYQWYRLN-FQEVSTJZSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1ccc(C2=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)cc1 ZINC000660169807 436599625 /nfs/dbraw/zinc/59/96/25/436599625.db2.gz QBCZGROYQWYRLN-FQEVSTJZSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1ccc(C2=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000660169807 436599628 /nfs/dbraw/zinc/59/96/28/436599628.db2.gz QBCZGROYQWYRLN-FQEVSTJZSA-N 2 2 316.489 3.039 20 0 DGADLP CCc1ccc(C2=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000660169807 436599630 /nfs/dbraw/zinc/59/96/30/436599630.db2.gz QBCZGROYQWYRLN-FQEVSTJZSA-N 2 2 316.489 3.039 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000660306681 436621388 /nfs/dbraw/zinc/62/13/88/436621388.db2.gz UFEPSSPUDOBZFM-RDTXWAMCSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000660306681 436621391 /nfs/dbraw/zinc/62/13/91/436621391.db2.gz UFEPSSPUDOBZFM-RDTXWAMCSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000121964454 302387608 /nfs/dbraw/zinc/38/76/08/302387608.db2.gz DXDGBXOXJUVYJI-KBPBESRZSA-N 2 2 318.465 3.268 20 0 DGADLP CC(C)c1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528731618 313067958 /nfs/dbraw/zinc/06/79/58/313067958.db2.gz VBDJYCSGBCJNKL-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C2CC2)cn1 ZINC000529688112 313254423 /nfs/dbraw/zinc/25/44/23/313254423.db2.gz IFWJCJSBLDQCFH-LJQANCHMSA-N 2 2 311.429 3.467 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000530178416 313334774 /nfs/dbraw/zinc/33/47/74/313334774.db2.gz LAXFXIGKZQUIQV-CQSZACIVSA-N 2 2 309.251 3.132 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC(=O)Nc3ccccc31)CCC2 ZINC000542471886 314078320 /nfs/dbraw/zinc/07/83/20/314078320.db2.gz GCDUVKCGHQJAPZ-GDBMZVCRSA-N 2 2 324.428 3.132 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3ccc(F)c(F)c3F)n2c1 ZINC000544178319 314178768 /nfs/dbraw/zinc/17/87/68/314178768.db2.gz IFEFLLFGJYIOFC-UHFFFAOYSA-N 2 2 319.330 3.392 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939729 314277694 /nfs/dbraw/zinc/27/76/94/314277694.db2.gz OJDGREOXJIJYAO-ZJUUUORDSA-N 2 2 307.385 3.154 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939729 314277696 /nfs/dbraw/zinc/27/76/96/314277696.db2.gz OJDGREOXJIJYAO-ZJUUUORDSA-N 2 2 307.385 3.154 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000560091568 314901435 /nfs/dbraw/zinc/90/14/35/314901435.db2.gz FTLBXVVAXVZFFS-NEPJUHHUSA-N 2 2 301.356 3.430 20 0 DGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(c3ccccc3F)CC2)n1C ZINC000563021166 315070686 /nfs/dbraw/zinc/07/06/86/315070686.db2.gz HNNMBCXWWLECGM-UHFFFAOYSA-N 2 2 316.424 3.005 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc2[nH+]1 ZINC000563091122 315077884 /nfs/dbraw/zinc/07/78/84/315077884.db2.gz VIGMCCRKRAGZRO-KBPBESRZSA-N 2 2 300.406 3.108 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)sc1Br ZINC000563350285 315104538 /nfs/dbraw/zinc/10/45/38/315104538.db2.gz MGRQQOONUJNALJ-NXEZZACHSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)sc1Br ZINC000563350285 315104540 /nfs/dbraw/zinc/10/45/40/315104540.db2.gz MGRQQOONUJNALJ-NXEZZACHSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)sc1Br ZINC000563350289 315105121 /nfs/dbraw/zinc/10/51/21/315105121.db2.gz MGRQQOONUJNALJ-UWVGGRQHSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)sc1Br ZINC000563350289 315105124 /nfs/dbraw/zinc/10/51/24/315105124.db2.gz MGRQQOONUJNALJ-UWVGGRQHSA-N 2 2 303.269 3.131 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000563352202 315105794 /nfs/dbraw/zinc/10/57/94/315105794.db2.gz GRUKKFYQDHPBAQ-HOCLYGCPSA-N 2 2 310.507 3.150 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000563352202 315105796 /nfs/dbraw/zinc/10/57/96/315105796.db2.gz GRUKKFYQDHPBAQ-HOCLYGCPSA-N 2 2 310.507 3.150 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000563444774 315116324 /nfs/dbraw/zinc/11/63/24/315116324.db2.gz QFZCZMHPLIAOKX-KSZLIROESA-N 2 2 318.509 3.156 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000563444775 315116438 /nfs/dbraw/zinc/11/64/38/315116438.db2.gz QFZCZMHPLIAOKX-OKZBNKHCSA-N 2 2 318.509 3.156 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000563884962 315144616 /nfs/dbraw/zinc/14/46/16/315144616.db2.gz CARJKCVQNWKJMO-OAHLLOKOSA-N 2 2 322.412 3.257 20 0 DGADLP Fc1cc(F)c2c(c1)OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000563936834 315148514 /nfs/dbraw/zinc/14/85/14/315148514.db2.gz PVXAZECRNKKSIE-OAHLLOKOSA-N 2 2 321.371 3.445 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000564297146 315166815 /nfs/dbraw/zinc/16/68/15/315166815.db2.gz MAZFGNITIXDUNM-UHFFFAOYSA-N 2 2 306.450 3.375 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000564297146 315166816 /nfs/dbraw/zinc/16/68/16/315166816.db2.gz MAZFGNITIXDUNM-UHFFFAOYSA-N 2 2 306.450 3.375 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000564465695 315178043 /nfs/dbraw/zinc/17/80/43/315178043.db2.gz RYXKGKSPHACCRB-SFHVURJKSA-N 2 2 323.444 3.077 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000564465695 315178046 /nfs/dbraw/zinc/17/80/46/315178046.db2.gz RYXKGKSPHACCRB-SFHVURJKSA-N 2 2 323.444 3.077 20 0 DGADLP CC(C)COc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000564519845 315180339 /nfs/dbraw/zinc/18/03/39/315180339.db2.gz FKTRTHREVLTENW-KRWDZBQOSA-N 2 2 304.478 3.495 20 0 DGADLP CC(C)COc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000564519845 315180340 /nfs/dbraw/zinc/18/03/40/315180340.db2.gz FKTRTHREVLTENW-KRWDZBQOSA-N 2 2 304.478 3.495 20 0 DGADLP CC(C)COc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000564519845 315180342 /nfs/dbraw/zinc/18/03/42/315180342.db2.gz FKTRTHREVLTENW-KRWDZBQOSA-N 2 2 304.478 3.495 20 0 DGADLP CC(C)COc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000564519845 315180344 /nfs/dbraw/zinc/18/03/44/315180344.db2.gz FKTRTHREVLTENW-KRWDZBQOSA-N 2 2 304.478 3.495 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000564701917 315192881 /nfs/dbraw/zinc/19/28/81/315192881.db2.gz LJJFXBLJOFFPSM-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000564701917 315192884 /nfs/dbraw/zinc/19/28/84/315192884.db2.gz LJJFXBLJOFFPSM-LSDHHAIUSA-N 2 2 306.425 3.072 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3=CCCCC3)c2cc1C ZINC000566122232 315314519 /nfs/dbraw/zinc/31/45/19/315314519.db2.gz BVADQGNFAJAIST-KRWDZBQOSA-N 2 2 313.445 3.104 20 0 DGADLP COC(=O)C[C@@H]([NH2+]CCc1cc[nH+]cc1C)C1CCCCC1 ZINC000566169247 315319497 /nfs/dbraw/zinc/31/94/97/315319497.db2.gz AJGPXJACVSBGRQ-QGZVFWFLSA-N 2 2 304.434 3.034 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000566196842 315322194 /nfs/dbraw/zinc/32/21/94/315322194.db2.gz VBCYCVKRQSVXPW-HNAYVOBHSA-N 2 2 324.428 3.103 20 0 DGADLP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1F ZINC000566338307 315335778 /nfs/dbraw/zinc/33/57/78/315335778.db2.gz AILKRENZRVVQPA-KUHUBIRLSA-N 2 2 320.452 3.244 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418756 315343665 /nfs/dbraw/zinc/34/36/65/315343665.db2.gz LHJVRASUAUCJNP-DGCLKSJQSA-N 2 2 319.276 3.299 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418756 315343668 /nfs/dbraw/zinc/34/36/68/315343668.db2.gz LHJVRASUAUCJNP-DGCLKSJQSA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418756 315343671 /nfs/dbraw/zinc/34/36/71/315343671.db2.gz LHJVRASUAUCJNP-DGCLKSJQSA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418756 315343673 /nfs/dbraw/zinc/34/36/73/315343673.db2.gz LHJVRASUAUCJNP-DGCLKSJQSA-N 2 2 319.276 3.299 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)n1C ZINC000566496440 315353689 /nfs/dbraw/zinc/35/36/89/315353689.db2.gz HRVCHSJUGXQLJB-DLBZAZTESA-N 2 2 321.371 3.096 20 0 DGADLP Cc1ccccc1C[NH+]1CCN(CCc2cc[nH+]cc2C)CC1 ZINC000566675941 315366630 /nfs/dbraw/zinc/36/66/30/315366630.db2.gz JTOPQRCEGWZURD-UHFFFAOYSA-N 2 2 309.457 3.059 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1sccc1Br ZINC000567674666 315440393 /nfs/dbraw/zinc/44/03/93/315440393.db2.gz WHOJWIVFWUUBHW-JMJZKYOTSA-N 2 2 303.269 3.431 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(Br)cc(F)c1F ZINC000568051039 315474372 /nfs/dbraw/zinc/47/43/72/315474372.db2.gz UEVLTICVGAEVMC-CYBMUJFWSA-N 2 2 321.209 3.190 20 0 DGADLP COC(=O)[C@H](CC1CCCCC1)[NH2+]CCCc1c[nH+]ccc1C ZINC000568118038 315482163 /nfs/dbraw/zinc/48/21/63/315482163.db2.gz CPMPURHQLFOPOY-SFHVURJKSA-N 2 2 318.461 3.424 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)n1C ZINC000568653776 315527343 /nfs/dbraw/zinc/52/73/43/315527343.db2.gz HRFBNRNQLGUKDR-AWEZNQCLSA-N 2 2 308.429 3.165 20 0 DGADLP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574410445 315964409 /nfs/dbraw/zinc/96/44/09/315964409.db2.gz LAACFFWQBMNYTR-HNNXBMFYSA-N 2 2 306.413 3.446 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)c1 ZINC000575134230 316036653 /nfs/dbraw/zinc/03/66/53/316036653.db2.gz QKGVIFHEYLAPBF-OCCSQVGLSA-N 2 2 317.458 3.130 20 0 DGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)c1 ZINC000575134230 316036657 /nfs/dbraw/zinc/03/66/57/316036657.db2.gz QKGVIFHEYLAPBF-OCCSQVGLSA-N 2 2 317.458 3.130 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000575736540 316056498 /nfs/dbraw/zinc/05/64/98/316056498.db2.gz RNDPCNBQYQGKTN-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000575736540 316056500 /nfs/dbraw/zinc/05/65/00/316056500.db2.gz RNDPCNBQYQGKTN-JKSUJKDBSA-N 2 2 310.388 3.395 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575889024 316072721 /nfs/dbraw/zinc/07/27/21/316072721.db2.gz ALVJCXZYNUMZKM-IYBDPMFKSA-N 2 2 301.478 3.028 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575889024 316072725 /nfs/dbraw/zinc/07/27/25/316072725.db2.gz ALVJCXZYNUMZKM-IYBDPMFKSA-N 2 2 301.478 3.028 20 0 DGADLP CC(C)C1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000575906585 316074665 /nfs/dbraw/zinc/07/46/65/316074665.db2.gz HFSYJWJXJJQNRX-JLAWEPINSA-N 2 2 308.510 3.103 20 0 DGADLP CC(C)C1CCC(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000575906585 316074668 /nfs/dbraw/zinc/07/46/68/316074668.db2.gz HFSYJWJXJJQNRX-JLAWEPINSA-N 2 2 308.510 3.103 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000577103351 316202770 /nfs/dbraw/zinc/20/27/70/316202770.db2.gz FPBPIJXOLLJDKJ-HNNXBMFYSA-N 2 2 308.784 3.048 20 0 DGADLP c1[nH]nc2cc(C[N@@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)ccc12 ZINC000577633817 316255447 /nfs/dbraw/zinc/25/54/47/316255447.db2.gz ZWKDWWNFQUMBFL-IBGZPJMESA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cc(C[N@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)ccc12 ZINC000577633817 316255451 /nfs/dbraw/zinc/25/54/51/316255451.db2.gz ZWKDWWNFQUMBFL-IBGZPJMESA-N 2 2 320.440 3.317 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000578004960 316293369 /nfs/dbraw/zinc/29/33/69/316293369.db2.gz SOBJWFYBVCKURX-SFHVURJKSA-N 2 2 301.409 3.288 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000578013003 316294182 /nfs/dbraw/zinc/29/41/82/316294182.db2.gz VUQIODGUIBKCKA-HNAYVOBHSA-N 2 2 320.452 3.462 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578013003 316294184 /nfs/dbraw/zinc/29/41/84/316294184.db2.gz VUQIODGUIBKCKA-HNAYVOBHSA-N 2 2 320.452 3.462 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000578009806 316294328 /nfs/dbraw/zinc/29/43/28/316294328.db2.gz GFIHYAWUIUFJAS-OALUTQOASA-N 3 2 303.494 3.423 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922730 323217058 /nfs/dbraw/zinc/21/70/58/323217058.db2.gz OIBPCDIENOXPHM-INMHGKMJSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179922730 323217060 /nfs/dbraw/zinc/21/70/60/323217060.db2.gz OIBPCDIENOXPHM-INMHGKMJSA-N 2 2 302.466 3.213 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000183239477 323330811 /nfs/dbraw/zinc/33/08/11/323330811.db2.gz MBAVCZWJTHIHQO-KRWDZBQOSA-N 2 2 304.482 3.115 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000183239477 323330817 /nfs/dbraw/zinc/33/08/17/323330817.db2.gz MBAVCZWJTHIHQO-KRWDZBQOSA-N 2 2 304.482 3.115 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Br)s1)[C@H]1CCCC[NH2+]1 ZINC000386574177 323638942 /nfs/dbraw/zinc/63/89/42/323638942.db2.gz MQQHWWGITNZJHO-MWLCHTKSSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000580569399 324014054 /nfs/dbraw/zinc/01/40/54/324014054.db2.gz OENWESNZRIWOIT-INIZCTEOSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000580569399 324014057 /nfs/dbraw/zinc/01/40/57/324014057.db2.gz OENWESNZRIWOIT-INIZCTEOSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000580569400 324014129 /nfs/dbraw/zinc/01/41/29/324014129.db2.gz OENWESNZRIWOIT-MRXNPFEDSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000580569400 324014132 /nfs/dbraw/zinc/01/41/32/324014132.db2.gz OENWESNZRIWOIT-MRXNPFEDSA-N 2 2 301.434 3.455 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000580614798 324018882 /nfs/dbraw/zinc/01/88/82/324018882.db2.gz DWMAUVVRGDHODV-QFBILLFUSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000580614798 324018887 /nfs/dbraw/zinc/01/88/87/324018887.db2.gz DWMAUVVRGDHODV-QFBILLFUSA-N 2 2 302.462 3.323 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000580952742 324057583 /nfs/dbraw/zinc/05/75/83/324057583.db2.gz RXOPEMMEZAFZOR-NVXWUHKLSA-N 2 2 300.446 3.049 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000580952742 324057586 /nfs/dbraw/zinc/05/75/86/324057586.db2.gz RXOPEMMEZAFZOR-NVXWUHKLSA-N 2 2 300.446 3.049 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000581046628 324067316 /nfs/dbraw/zinc/06/73/16/324067316.db2.gz KVYPJYDMPYMCPB-LLVKDONJSA-N 2 2 314.271 3.083 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@@H](c4ccncc4)C3)c[nH+]c12 ZINC000582102852 324189360 /nfs/dbraw/zinc/18/93/60/324189360.db2.gz LXRRHFIUNFPJFL-FUHWJXTLSA-N 2 2 322.412 3.048 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000582347925 324219102 /nfs/dbraw/zinc/21/91/02/324219102.db2.gz DHRUGZSAAQNRKC-KRWDZBQOSA-N 2 2 310.445 3.011 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CCC1 ZINC000582660158 324258661 /nfs/dbraw/zinc/25/86/61/324258661.db2.gz MQBKXDKGFLUHEM-GOSISDBHSA-N 2 2 307.397 3.388 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000583497503 324361749 /nfs/dbraw/zinc/36/17/49/324361749.db2.gz RMQRBYOFUDCEDA-SFHVURJKSA-N 2 2 300.402 3.207 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000583497503 324361751 /nfs/dbraw/zinc/36/17/51/324361751.db2.gz RMQRBYOFUDCEDA-SFHVURJKSA-N 2 2 300.402 3.207 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000583497502 324362024 /nfs/dbraw/zinc/36/20/24/324362024.db2.gz RMQRBYOFUDCEDA-GOSISDBHSA-N 2 2 300.402 3.207 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000583497502 324362026 /nfs/dbraw/zinc/36/20/26/324362026.db2.gz RMQRBYOFUDCEDA-GOSISDBHSA-N 2 2 300.402 3.207 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC[NH2+]CC1 ZINC000036301105 337352957 /nfs/dbraw/zinc/35/29/57/337352957.db2.gz HVUNXODBVJJTFQ-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC[NH2+]CC1 ZINC000036301105 337352958 /nfs/dbraw/zinc/35/29/58/337352958.db2.gz HVUNXODBVJJTFQ-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)sc2C1 ZINC000432783865 533783770 /nfs/dbraw/zinc/78/37/70/533783770.db2.gz DHLHGMYONHLDNJ-KBPBESRZSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)sc2C1 ZINC000432783865 533783779 /nfs/dbraw/zinc/78/37/79/533783779.db2.gz DHLHGMYONHLDNJ-KBPBESRZSA-N 2 2 307.507 3.184 20 0 DGADLP COc1cccc2c(N3CC[C@@H](C[NH+]4CCCC4)C3)cc[nH+]c12 ZINC000292934488 533841515 /nfs/dbraw/zinc/84/15/15/533841515.db2.gz ASSZZJWKMKFLQN-HNNXBMFYSA-N 2 2 311.429 3.166 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1F ZINC000432409519 533848759 /nfs/dbraw/zinc/84/87/59/533848759.db2.gz ZRLYTNFPOFYKQN-KGLIPLIRSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1F ZINC000432409519 533848765 /nfs/dbraw/zinc/84/87/65/533848765.db2.gz ZRLYTNFPOFYKQN-KGLIPLIRSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@H+](Cc2ccccc2)C1 ZINC000344684454 533942538 /nfs/dbraw/zinc/94/25/38/533942538.db2.gz YBVJFDNGFSLEGS-MJGOQNOKSA-N 2 2 318.505 3.285 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@@H+](Cc2ccccc2)C1 ZINC000344684454 533942541 /nfs/dbraw/zinc/94/25/41/533942541.db2.gz YBVJFDNGFSLEGS-MJGOQNOKSA-N 2 2 318.505 3.285 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](C)[C@@H]3C)c2cc1C ZINC000172861078 534139594 /nfs/dbraw/zinc/13/95/94/534139594.db2.gz LXTGMLBMJIWFLD-RRQGHBQHSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](C)[C@@H]3C)c2cc1C ZINC000172861078 534139614 /nfs/dbraw/zinc/13/96/14/534139614.db2.gz LXTGMLBMJIWFLD-RRQGHBQHSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586497 534366898 /nfs/dbraw/zinc/36/68/98/534366898.db2.gz WIHZKQXGKKDNMK-YOEHRIQHSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000443586497 534366903 /nfs/dbraw/zinc/36/69/03/534366903.db2.gz WIHZKQXGKKDNMK-YOEHRIQHSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000443586497 534366909 /nfs/dbraw/zinc/36/69/09/534366909.db2.gz WIHZKQXGKKDNMK-YOEHRIQHSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000443586497 534366914 /nfs/dbraw/zinc/36/69/14/534366914.db2.gz WIHZKQXGKKDNMK-YOEHRIQHSA-N 2 2 305.491 3.209 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)s1 ZINC000432117965 534368364 /nfs/dbraw/zinc/36/83/64/534368364.db2.gz VQPNPBVPIXLBDT-AWEZNQCLSA-N 2 2 316.474 3.282 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)s1 ZINC000432117965 534368370 /nfs/dbraw/zinc/36/83/70/534368370.db2.gz VQPNPBVPIXLBDT-AWEZNQCLSA-N 2 2 316.474 3.282 20 0 DGADLP Fc1ccc(COc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000430634160 534471295 /nfs/dbraw/zinc/47/12/95/534471295.db2.gz RFPYISNNZRPKLJ-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP Fc1ccc(COc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000430634160 534471306 /nfs/dbraw/zinc/47/13/06/534471306.db2.gz RFPYISNNZRPKLJ-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP CC[N@H+](C)[C@H](c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396277 520276127 /nfs/dbraw/zinc/27/61/27/520276127.db2.gz NFAXAAUECCKUGM-GJZGRUSLSA-N 2 2 302.422 3.157 20 0 DGADLP CC[N@@H+](C)[C@H](c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396277 520276131 /nfs/dbraw/zinc/27/61/31/520276131.db2.gz NFAXAAUECCKUGM-GJZGRUSLSA-N 2 2 302.422 3.157 20 0 DGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423220601 534493731 /nfs/dbraw/zinc/49/37/31/534493731.db2.gz YJYJURRYYPXSBU-SCLBCKFNSA-N 2 2 317.383 3.038 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000322950334 534501554 /nfs/dbraw/zinc/50/15/54/534501554.db2.gz SNHWLNNFVYSASN-GGPKGHCWSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000322950334 534501555 /nfs/dbraw/zinc/50/15/55/534501555.db2.gz SNHWLNNFVYSASN-GGPKGHCWSA-N 2 2 307.441 3.387 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154356664 520776149 /nfs/dbraw/zinc/77/61/49/520776149.db2.gz ZSIBEVDCVRPNGQ-HUUCEWRRSA-N 2 2 318.383 3.059 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCn1cccn1)c1ccccc1 ZINC000157461655 520868086 /nfs/dbraw/zinc/86/80/86/520868086.db2.gz CZEUCIALOMDZFA-PKOBYXMFSA-N 2 2 314.477 3.334 20 0 DGADLP Fc1ccccc1-c1csc(C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000415099992 534530428 /nfs/dbraw/zinc/53/04/28/534530428.db2.gz GDKOZUCJSFBHNN-GFCCVEGCSA-N 2 2 305.422 3.181 20 0 DGADLP Clc1ccccc1OCc1ccccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000415079992 534654420 /nfs/dbraw/zinc/65/44/20/534654420.db2.gz KTRAZKRWNKJMAD-INIZCTEOSA-N 2 2 316.832 3.371 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414928033 534807316 /nfs/dbraw/zinc/80/73/16/534807316.db2.gz MYQKMKJITJDIEM-MRXNPFEDSA-N 2 2 306.498 3.123 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423233327 534850462 /nfs/dbraw/zinc/85/04/62/534850462.db2.gz DPDXTFIYDOZFOC-SCLBCKFNSA-N 2 2 300.450 3.203 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527614 525502003 /nfs/dbraw/zinc/50/20/03/525502003.db2.gz WLADQPCXVDTTRT-VXGBXAGGSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527614 525502009 /nfs/dbraw/zinc/50/20/09/525502009.db2.gz WLADQPCXVDTTRT-VXGBXAGGSA-N 2 2 302.340 3.330 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F ZINC000163437423 526339794 /nfs/dbraw/zinc/33/97/94/526339794.db2.gz PWHRBBPFGQZTGM-LLVKDONJSA-N 2 2 302.315 3.171 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000163437423 526339805 /nfs/dbraw/zinc/33/98/05/526339805.db2.gz PWHRBBPFGQZTGM-LLVKDONJSA-N 2 2 302.315 3.171 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000414058322 526573218 /nfs/dbraw/zinc/57/32/18/526573218.db2.gz HBBKMKQZNJYLSE-HOTGVXAUSA-N 2 2 315.461 3.449 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000415052874 526619693 /nfs/dbraw/zinc/61/96/93/526619693.db2.gz IQUGCBYGEDYYGH-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000415058997 526620040 /nfs/dbraw/zinc/62/00/40/526620040.db2.gz UIMFDLMGWVNNEW-GFCCVEGCSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415050873 526620565 /nfs/dbraw/zinc/62/05/65/526620565.db2.gz DJVUEQLDRQOHKK-CYBMUJFWSA-N 2 2 322.346 3.230 20 0 DGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000428283363 527409909 /nfs/dbraw/zinc/40/99/09/527409909.db2.gz AISXORJKSMGFMW-RTBURBONSA-N 2 2 308.510 3.413 20 0 DGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000428283363 527409916 /nfs/dbraw/zinc/40/99/16/527409916.db2.gz AISXORJKSMGFMW-RTBURBONSA-N 2 2 308.510 3.413 20 0 DGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000415048895 527795233 /nfs/dbraw/zinc/79/52/33/527795233.db2.gz XREHBVCPFFWSHE-SECBINFHSA-N 2 2 323.687 3.394 20 0 DGADLP CC[N@H+](C)Cc1cccc(CNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000413078255 527849052 /nfs/dbraw/zinc/84/90/52/527849052.db2.gz VYQUWUGOJYNIDO-UHFFFAOYSA-N 2 2 311.433 3.115 20 0 DGADLP CC[N@@H+](C)Cc1cccc(CNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000413078255 527849059 /nfs/dbraw/zinc/84/90/59/527849059.db2.gz VYQUWUGOJYNIDO-UHFFFAOYSA-N 2 2 311.433 3.115 20 0 DGADLP CC[N@H+](C)Cc1cccc(CNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000413078255 527849064 /nfs/dbraw/zinc/84/90/64/527849064.db2.gz VYQUWUGOJYNIDO-UHFFFAOYSA-N 2 2 311.433 3.115 20 0 DGADLP CC[N@@H+](C)Cc1cccc(CNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000413078255 527849071 /nfs/dbraw/zinc/84/90/71/527849071.db2.gz VYQUWUGOJYNIDO-UHFFFAOYSA-N 2 2 311.433 3.115 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000430580228 527942900 /nfs/dbraw/zinc/94/29/00/527942900.db2.gz LOXWCBDVMVXFRV-INIZCTEOSA-N 2 2 307.438 3.412 20 0 DGADLP CCCC[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429714056 528393151 /nfs/dbraw/zinc/39/31/51/528393151.db2.gz GBGPHERKNPXQIW-IBGZPJMESA-N 2 2 304.478 3.400 20 0 DGADLP CCCC[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429714056 528393156 /nfs/dbraw/zinc/39/31/56/528393156.db2.gz GBGPHERKNPXQIW-IBGZPJMESA-N 2 2 304.478 3.400 20 0 DGADLP CCCC[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429714056 528393159 /nfs/dbraw/zinc/39/31/59/528393159.db2.gz GBGPHERKNPXQIW-IBGZPJMESA-N 2 2 304.478 3.400 20 0 DGADLP CCCC[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429714056 528393160 /nfs/dbraw/zinc/39/31/60/528393160.db2.gz GBGPHERKNPXQIW-IBGZPJMESA-N 2 2 304.478 3.400 20 0 DGADLP CCCCOc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000415048873 528654463 /nfs/dbraw/zinc/65/44/63/528654463.db2.gz XOHDUNJQQBMOOR-KRWDZBQOSA-N 2 2 306.450 3.104 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000423231588 528689344 /nfs/dbraw/zinc/68/93/44/528689344.db2.gz GYUULQBGJVPQCZ-GDBMZVCRSA-N 2 2 306.450 3.277 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000309695462 528786777 /nfs/dbraw/zinc/78/67/77/528786777.db2.gz DVSNBHMKBMJRRL-RNQOJCNYSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000309695462 528786784 /nfs/dbraw/zinc/78/67/84/528786784.db2.gz DVSNBHMKBMJRRL-RNQOJCNYSA-N 2 2 316.489 3.443 20 0 DGADLP CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435622708 528883173 /nfs/dbraw/zinc/88/31/73/528883173.db2.gz ADYPQJZVMGDTLL-INIZCTEOSA-N 2 2 314.433 3.009 20 0 DGADLP CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435622708 528883177 /nfs/dbraw/zinc/88/31/77/528883177.db2.gz ADYPQJZVMGDTLL-INIZCTEOSA-N 2 2 314.433 3.009 20 0 DGADLP CC[N@H+](Cc1sccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435388571 528920416 /nfs/dbraw/zinc/92/04/16/528920416.db2.gz GNTWTAIZQWRUDC-NSHDSACASA-N 2 2 317.296 3.475 20 0 DGADLP CC[N@@H+](Cc1sccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435388571 528920418 /nfs/dbraw/zinc/92/04/18/528920418.db2.gz GNTWTAIZQWRUDC-NSHDSACASA-N 2 2 317.296 3.475 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000430578616 529046880 /nfs/dbraw/zinc/04/68/80/529046880.db2.gz XDXQBVRHOXTBNJ-OAHLLOKOSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000430578616 529046886 /nfs/dbraw/zinc/04/68/86/529046886.db2.gz XDXQBVRHOXTBNJ-OAHLLOKOSA-N 2 2 305.397 3.286 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092144 529181672 /nfs/dbraw/zinc/18/16/72/529181672.db2.gz YTVSDSLGBAWRHH-CQSZACIVSA-N 2 2 302.422 3.237 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092144 529181674 /nfs/dbraw/zinc/18/16/74/529181674.db2.gz YTVSDSLGBAWRHH-CQSZACIVSA-N 2 2 302.422 3.237 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422729716 529186717 /nfs/dbraw/zinc/18/67/17/529186717.db2.gz ILCKJJTXFBINSE-KGLIPLIRSA-N 2 2 316.367 3.248 20 0 DGADLP CC(C)Oc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470017642 535060413 /nfs/dbraw/zinc/06/04/13/535060413.db2.gz KVWVSRZFRPGOHC-UHFFFAOYSA-N 2 2 302.462 3.438 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471778180 535215205 /nfs/dbraw/zinc/21/52/05/535215205.db2.gz CSTDZQLRHNHHLD-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471778180 535215211 /nfs/dbraw/zinc/21/52/11/535215211.db2.gz CSTDZQLRHNHHLD-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000471803864 535216056 /nfs/dbraw/zinc/21/60/56/535216056.db2.gz JZCJCUXZFAAYGH-MJGOQNOKSA-N 2 2 318.505 3.428 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000471803864 535216060 /nfs/dbraw/zinc/21/60/60/535216060.db2.gz JZCJCUXZFAAYGH-MJGOQNOKSA-N 2 2 318.505 3.428 20 0 DGADLP COc1cccc2c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)cccc12 ZINC000449193313 536932828 /nfs/dbraw/zinc/93/28/28/536932828.db2.gz MZTZFPHFRIKAKZ-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cccc2c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)cccc12 ZINC000449193313 536932833 /nfs/dbraw/zinc/93/28/33/536932833.db2.gz MZTZFPHFRIKAKZ-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cccc2c(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cccc12 ZINC000449102042 536932855 /nfs/dbraw/zinc/93/28/55/536932855.db2.gz IEJKWTQILXFQBA-HNNXBMFYSA-N 2 2 309.413 3.471 20 0 DGADLP COc1ccc2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000494410475 537035278 /nfs/dbraw/zinc/03/52/78/537035278.db2.gz KEEODFVRKPBGKH-KRWDZBQOSA-N 2 2 307.397 3.150 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2cscn2)C[N@@H+]1Cc1ccccc1 ZINC000090186569 545823532 /nfs/dbraw/zinc/82/35/32/545823532.db2.gz PNECVXBJXYAGMN-QGZVFWFLSA-N 2 2 315.486 3.328 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2cscn2)C[N@H+]1Cc1ccccc1 ZINC000090186569 545823538 /nfs/dbraw/zinc/82/35/38/545823538.db2.gz PNECVXBJXYAGMN-QGZVFWFLSA-N 2 2 315.486 3.328 20 0 DGADLP COCCOc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000093660130 545858274 /nfs/dbraw/zinc/85/82/74/545858274.db2.gz OTJJDVNIPMDZBR-SFHVURJKSA-N 2 2 320.477 3.018 20 0 DGADLP COCCOc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000093660130 545858276 /nfs/dbraw/zinc/85/82/76/545858276.db2.gz OTJJDVNIPMDZBR-SFHVURJKSA-N 2 2 320.477 3.018 20 0 DGADLP COCCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000093660130 545858281 /nfs/dbraw/zinc/85/82/81/545858281.db2.gz OTJJDVNIPMDZBR-SFHVURJKSA-N 2 2 320.477 3.018 20 0 DGADLP COCCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000093660130 545858283 /nfs/dbraw/zinc/85/82/83/545858283.db2.gz OTJJDVNIPMDZBR-SFHVURJKSA-N 2 2 320.477 3.018 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000150911341 545990384 /nfs/dbraw/zinc/99/03/84/545990384.db2.gz NCKFFJFVQWHBMX-NVXWUHKLSA-N 3 2 321.534 3.205 20 0 DGADLP CCC[NH+]1CCC(Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000153531838 546010425 /nfs/dbraw/zinc/01/04/25/546010425.db2.gz CQFPPYXVVMWKFI-UHFFFAOYSA-N 2 2 302.397 3.298 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000156290999 546033224 /nfs/dbraw/zinc/03/32/24/546033224.db2.gz AHMZCZKKFZRZCG-MRXNPFEDSA-N 2 2 323.440 3.415 20 0 DGADLP C[NH+](C)Cc1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000156537398 546035384 /nfs/dbraw/zinc/03/53/84/546035384.db2.gz SKTJRMOYONCOEK-UHFFFAOYSA-N 2 2 312.339 3.119 20 0 DGADLP c1oc(-c2ccccc2)nc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161353022 546068456 /nfs/dbraw/zinc/06/84/56/546068456.db2.gz PUWCAKSGSJQPQB-UHFFFAOYSA-N 2 2 320.396 3.059 20 0 DGADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000238214194 546293884 /nfs/dbraw/zinc/29/38/84/546293884.db2.gz JBYAIOGCRVXBEJ-OAQYLSRUSA-N 2 2 324.468 3.017 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000251873728 546330655 /nfs/dbraw/zinc/33/06/55/546330655.db2.gz UPLOSGWDOMQOEH-GXSJLCMTSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000251873728 546330659 /nfs/dbraw/zinc/33/06/59/546330659.db2.gz UPLOSGWDOMQOEH-GXSJLCMTSA-N 2 2 303.269 3.070 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000282378052 546392069 /nfs/dbraw/zinc/39/20/69/546392069.db2.gz QOAMRRLQSZEHAR-LJQANCHMSA-N 2 2 306.413 3.045 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1[nH]cc[nH+]1)Cc1ccccc1 ZINC000285604383 546398219 /nfs/dbraw/zinc/39/82/19/546398219.db2.gz JXXQHMPVDXCKIH-NVXWUHKLSA-N 2 2 300.450 3.013 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](C)c1[nH]cc[nH+]1)c1cccc(OC)c1 ZINC000285712562 546398470 /nfs/dbraw/zinc/39/84/70/546398470.db2.gz PPWVMSNSXIGLNO-RHSMWYFYSA-N 2 2 316.449 3.152 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000285653994 546399044 /nfs/dbraw/zinc/39/90/44/546399044.db2.gz MKECQYYSVMBUAA-HZPDHXFCSA-N 2 2 312.461 3.492 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000285653994 546399049 /nfs/dbraw/zinc/39/90/49/546399049.db2.gz MKECQYYSVMBUAA-HZPDHXFCSA-N 2 2 312.461 3.492 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000297577027 546432094 /nfs/dbraw/zinc/43/20/94/546432094.db2.gz IFGAHXUFVDDGNQ-UHFFFAOYSA-N 2 2 320.440 3.103 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000297577027 546432095 /nfs/dbraw/zinc/43/20/95/546432095.db2.gz IFGAHXUFVDDGNQ-UHFFFAOYSA-N 2 2 320.440 3.103 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc[nH+]1 ZINC000309868393 546450872 /nfs/dbraw/zinc/45/08/72/546450872.db2.gz QCJMYONQXFSLFO-FGTMMUONSA-N 2 2 308.429 3.108 20 0 DGADLP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc[nH+]1 ZINC000309868393 546450875 /nfs/dbraw/zinc/45/08/75/546450875.db2.gz QCJMYONQXFSLFO-FGTMMUONSA-N 2 2 308.429 3.108 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000319762841 546465357 /nfs/dbraw/zinc/46/53/57/546465357.db2.gz DRICOTXREYKMQZ-PXNSSMCTSA-N 3 2 317.521 3.389 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319672392 546465391 /nfs/dbraw/zinc/46/53/91/546465391.db2.gz HLTPDNDEVMXWPF-PXTPFGJHSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319672392 546465395 /nfs/dbraw/zinc/46/53/95/546465395.db2.gz HLTPDNDEVMXWPF-PXTPFGJHSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319672392 546465397 /nfs/dbraw/zinc/46/53/97/546465397.db2.gz HLTPDNDEVMXWPF-PXTPFGJHSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319672392 546465400 /nfs/dbraw/zinc/46/54/00/546465400.db2.gz HLTPDNDEVMXWPF-PXTPFGJHSA-N 2 2 322.537 3.370 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000348401625 546590078 /nfs/dbraw/zinc/59/00/78/546590078.db2.gz DEVPNXHFKFZEHV-HXUWFJFHSA-N 2 2 312.457 3.154 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052128 546765109 /nfs/dbraw/zinc/76/51/09/546765109.db2.gz WYZGRGIHTGFVDI-AZUAARDMSA-N 2 2 323.484 3.494 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401052128 546765114 /nfs/dbraw/zinc/76/51/14/546765114.db2.gz WYZGRGIHTGFVDI-AZUAARDMSA-N 2 2 323.484 3.494 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@@H]1c1ccccc1 ZINC000414193012 546780888 /nfs/dbraw/zinc/78/08/88/546780888.db2.gz UFKWFCWJCIUIMV-UYAOXDASSA-N 3 2 320.440 3.259 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C[C@@H]1c1ccccc1 ZINC000414193012 546780892 /nfs/dbraw/zinc/78/08/92/546780892.db2.gz UFKWFCWJCIUIMV-UYAOXDASSA-N 3 2 320.440 3.259 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414308690 546784649 /nfs/dbraw/zinc/78/46/49/546784649.db2.gz WNCWMPKWHJPLKX-MAZHCROVSA-N 2 2 321.371 3.072 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000414933368 546790877 /nfs/dbraw/zinc/79/08/77/546790877.db2.gz WUJIZJFJCJFTJY-WBVHZDCISA-N 3 2 321.896 3.164 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)n1C ZINC000419694238 546804562 /nfs/dbraw/zinc/80/45/62/546804562.db2.gz JXYBZSGPFSKBSW-DLBZAZTESA-N 2 2 312.461 3.302 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453339043 546858878 /nfs/dbraw/zinc/85/88/78/546858878.db2.gz GEGPPSWXROHHND-RYQLBKOJSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453339043 546858883 /nfs/dbraw/zinc/85/88/83/546858883.db2.gz GEGPPSWXROHHND-RYQLBKOJSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453347915 546859920 /nfs/dbraw/zinc/85/99/20/546859920.db2.gz GBEVHXYLBSZQAZ-ZYSHUDEJSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453347915 546859924 /nfs/dbraw/zinc/85/99/24/546859924.db2.gz GBEVHXYLBSZQAZ-ZYSHUDEJSA-N 2 2 312.461 3.389 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000494501059 546935215 /nfs/dbraw/zinc/93/52/15/546935215.db2.gz GSODZYDDWPBNMX-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000494501059 546935217 /nfs/dbraw/zinc/93/52/17/546935217.db2.gz GSODZYDDWPBNMX-WZGPROSRSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)cs1 ZINC000516660722 546957717 /nfs/dbraw/zinc/95/77/17/546957717.db2.gz FDRNENXLZXMGEO-OAHLLOKOSA-N 2 2 317.458 3.171 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)cs1 ZINC000516660722 546957722 /nfs/dbraw/zinc/95/77/22/546957722.db2.gz FDRNENXLZXMGEO-OAHLLOKOSA-N 2 2 317.458 3.171 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1OC ZINC000667493095 547201355 /nfs/dbraw/zinc/20/13/55/547201355.db2.gz ICCMRNRZDWVTST-MRXNPFEDSA-N 2 2 315.417 3.083 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1OC ZINC000667493095 547201357 /nfs/dbraw/zinc/20/13/57/547201357.db2.gz ICCMRNRZDWVTST-MRXNPFEDSA-N 2 2 315.417 3.083 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H](c3nc4ccccc4o3)C1)CCC2 ZINC000667496131 547203225 /nfs/dbraw/zinc/20/32/25/547203225.db2.gz JFIFTYXKDYBYDZ-CQSZACIVSA-N 2 2 322.412 3.350 20 0 DGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H](c3nc4ccccc4o3)C1)CCC2 ZINC000667496131 547203227 /nfs/dbraw/zinc/20/32/27/547203227.db2.gz JFIFTYXKDYBYDZ-CQSZACIVSA-N 2 2 322.412 3.350 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)n1C ZINC000667564346 547228154 /nfs/dbraw/zinc/22/81/54/547228154.db2.gz JNVFHGIBTUMPSW-SFHVURJKSA-N 2 2 317.408 3.049 20 0 DGADLP Cc1[nH+]cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)n1C ZINC000667564346 547228160 /nfs/dbraw/zinc/22/81/60/547228160.db2.gz JNVFHGIBTUMPSW-SFHVURJKSA-N 2 2 317.408 3.049 20 0 DGADLP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667568571 547230066 /nfs/dbraw/zinc/23/00/66/547230066.db2.gz IDLBMRHNLWQTDK-SFHVURJKSA-N 2 2 323.444 3.435 20 0 DGADLP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667568571 547230070 /nfs/dbraw/zinc/23/00/70/547230070.db2.gz IDLBMRHNLWQTDK-SFHVURJKSA-N 2 2 323.444 3.435 20 0 DGADLP COc1ccccc1CC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667585798 547236276 /nfs/dbraw/zinc/23/62/76/547236276.db2.gz CENSPXYILWLLQE-UHFFFAOYSA-N 2 2 313.445 3.192 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)n1C ZINC000667670695 547268954 /nfs/dbraw/zinc/26/89/54/547268954.db2.gz XSRNXNRPAAKSOU-BEFAXECRSA-N 2 2 313.445 3.307 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)n1C ZINC000667670695 547268957 /nfs/dbraw/zinc/26/89/57/547268957.db2.gz XSRNXNRPAAKSOU-BEFAXECRSA-N 2 2 313.445 3.307 20 0 DGADLP c1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673161 547270367 /nfs/dbraw/zinc/27/03/67/547270367.db2.gz TVQMOJICIYEDAP-DLBZAZTESA-N 2 2 314.458 3.127 20 0 DGADLP c1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673161 547270370 /nfs/dbraw/zinc/27/03/70/547270370.db2.gz TVQMOJICIYEDAP-DLBZAZTESA-N 2 2 314.458 3.127 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000667698452 547278994 /nfs/dbraw/zinc/27/89/94/547278994.db2.gz CVEVIWVYURUEQP-FZMZJTMJSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000667698452 547278997 /nfs/dbraw/zinc/27/89/97/547278997.db2.gz CVEVIWVYURUEQP-FZMZJTMJSA-N 2 2 309.335 3.384 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)n1C ZINC000667707778 547282527 /nfs/dbraw/zinc/28/25/27/547282527.db2.gz INYCEUGJSMRIIG-MRXNPFEDSA-N 2 2 315.392 3.105 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)n1C ZINC000667707778 547282532 /nfs/dbraw/zinc/28/25/32/547282532.db2.gz INYCEUGJSMRIIG-MRXNPFEDSA-N 2 2 315.392 3.105 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1)[NH+](C)C ZINC000668036058 547366660 /nfs/dbraw/zinc/36/66/60/547366660.db2.gz BXQXLCPUIQGMGB-WQCNXYOZSA-N 2 2 302.462 3.143 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000668101702 547384382 /nfs/dbraw/zinc/38/43/82/547384382.db2.gz ZCPRWJVGDSNZJI-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP F[C@]1(c2ccccc2)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668109919 547387393 /nfs/dbraw/zinc/38/73/93/547387393.db2.gz QUQOICIEVHWAKM-LJQANCHMSA-N 2 2 322.387 3.338 20 0 DGADLP F[C@]1(c2ccccc2)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668109919 547387395 /nfs/dbraw/zinc/38/73/95/547387395.db2.gz QUQOICIEVHWAKM-LJQANCHMSA-N 2 2 322.387 3.338 20 0 DGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000668155378 547397465 /nfs/dbraw/zinc/39/74/65/547397465.db2.gz MMNLTYMYORIJEW-UHFFFAOYSA-N 2 2 300.450 3.028 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173595 547402913 /nfs/dbraw/zinc/40/29/13/547402913.db2.gz MKVJXWNLJQHCOV-ROUUACIJSA-N 2 2 313.445 3.406 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n1C ZINC000668173595 547402917 /nfs/dbraw/zinc/40/29/17/547402917.db2.gz MKVJXWNLJQHCOV-ROUUACIJSA-N 2 2 313.445 3.406 20 0 DGADLP FC(F)(F)c1cccc(C2C[NH+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668225318 547422010 /nfs/dbraw/zinc/42/20/10/547422010.db2.gz JWHSGSZRXFNTEZ-UHFFFAOYSA-N 2 2 321.346 3.448 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)n1C ZINC000668271734 547433106 /nfs/dbraw/zinc/43/31/06/547433106.db2.gz MXGLFVBPODPJEH-SFHVURJKSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)n1C ZINC000668271734 547433113 /nfs/dbraw/zinc/43/31/13/547433113.db2.gz MXGLFVBPODPJEH-SFHVURJKSA-N 2 2 301.409 3.465 20 0 DGADLP CCCCOc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1OCC ZINC000668538404 547475461 /nfs/dbraw/zinc/47/54/61/547475461.db2.gz ZVLDUSHTNQIOOM-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP CCCCOc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1OCC ZINC000668538404 547475465 /nfs/dbraw/zinc/47/54/65/547475465.db2.gz ZVLDUSHTNQIOOM-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP COc1cccc([C@@]2(C)CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668597789 547489585 /nfs/dbraw/zinc/48/95/85/547489585.db2.gz DQBXBMVPMJCITQ-IBGZPJMESA-N 2 2 311.429 3.002 20 0 DGADLP COc1cccc([C@@]2(C)CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000668597789 547489589 /nfs/dbraw/zinc/48/95/89/547489589.db2.gz DQBXBMVPMJCITQ-IBGZPJMESA-N 2 2 311.429 3.002 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C/c2ccc(F)c(F)c2)CCO1 ZINC000668784726 547540504 /nfs/dbraw/zinc/54/05/04/547540504.db2.gz HUZGFXYFFFZRAB-LLCTXKFZSA-N 2 2 324.415 3.021 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C/c2ccc(F)c(F)c2)CCO1 ZINC000668784726 547540509 /nfs/dbraw/zinc/54/05/09/547540509.db2.gz HUZGFXYFFFZRAB-LLCTXKFZSA-N 2 2 324.415 3.021 20 0 DGADLP Cc1cccc2[nH]c(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc21 ZINC000668787965 547542598 /nfs/dbraw/zinc/54/25/98/547542598.db2.gz WOSACUKDRUEVJU-QGZVFWFLSA-N 2 2 315.461 3.019 20 0 DGADLP Cc1cccc2[nH]c(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc21 ZINC000668787965 547542599 /nfs/dbraw/zinc/54/25/99/547542599.db2.gz WOSACUKDRUEVJU-QGZVFWFLSA-N 2 2 315.461 3.019 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986936 547767152 /nfs/dbraw/zinc/76/71/52/547767152.db2.gz ZTCYFQVEHVHBBJ-CRAIPNDOSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986936 547767158 /nfs/dbraw/zinc/76/71/58/547767158.db2.gz ZTCYFQVEHVHBBJ-CRAIPNDOSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671746872 547823870 /nfs/dbraw/zinc/82/38/70/547823870.db2.gz QWAHTYXXMZBVIZ-SUMWQHHRSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671746872 547823873 /nfs/dbraw/zinc/82/38/73/547823873.db2.gz QWAHTYXXMZBVIZ-SUMWQHHRSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048115 548027122 /nfs/dbraw/zinc/02/71/22/548027122.db2.gz ZYWHIUHNAINXFU-JRGCBEDISA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048115 548027127 /nfs/dbraw/zinc/02/71/27/548027127.db2.gz ZYWHIUHNAINXFU-JRGCBEDISA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048115 548027131 /nfs/dbraw/zinc/02/71/31/548027131.db2.gz ZYWHIUHNAINXFU-JRGCBEDISA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000674048115 548027135 /nfs/dbraw/zinc/02/71/35/548027135.db2.gz ZYWHIUHNAINXFU-JRGCBEDISA-N 2 2 324.468 3.172 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880403 548129401 /nfs/dbraw/zinc/12/94/01/548129401.db2.gz GYLPQEOFYUAKRJ-HKUYNNGSSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880403 548129404 /nfs/dbraw/zinc/12/94/04/548129404.db2.gz GYLPQEOFYUAKRJ-HKUYNNGSSA-N 2 2 316.489 3.354 20 0 DGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000674906553 548133849 /nfs/dbraw/zinc/13/38/49/548133849.db2.gz HDEHJWHTZMFQNR-CYBMUJFWSA-N 2 2 300.337 3.001 20 0 DGADLP Fc1ccc2oc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000674906553 548133854 /nfs/dbraw/zinc/13/38/54/548133854.db2.gz HDEHJWHTZMFQNR-CYBMUJFWSA-N 2 2 300.337 3.001 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)nc1 ZINC000675552524 548232383 /nfs/dbraw/zinc/23/23/83/548232383.db2.gz GTPVXAVCUYTWLG-SFHVURJKSA-N 2 2 306.413 3.197 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767947 548267364 /nfs/dbraw/zinc/26/73/64/548267364.db2.gz UYSCSHUXNXPNDM-TZMCWYRMSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767947 548267367 /nfs/dbraw/zinc/26/73/67/548267367.db2.gz UYSCSHUXNXPNDM-TZMCWYRMSA-N 2 2 316.367 3.373 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920352 548291499 /nfs/dbraw/zinc/29/14/99/548291499.db2.gz KDMFYORNZNLHHH-RDTXWAMCSA-N 2 2 323.444 3.097 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000675919354 548291603 /nfs/dbraw/zinc/29/16/03/548291603.db2.gz HQXJTSWHARNJGV-MAUKXSAKSA-N 2 2 323.444 3.271 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000675925102 548293654 /nfs/dbraw/zinc/29/36/54/548293654.db2.gz GFBSLVQNHLSBLZ-SFHVURJKSA-N 2 2 321.424 3.471 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929027 548294498 /nfs/dbraw/zinc/29/44/98/548294498.db2.gz XCIOTMQXGXSCIJ-UWVAXJGDSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929027 548294502 /nfs/dbraw/zinc/29/45/02/548294502.db2.gz XCIOTMQXGXSCIJ-UWVAXJGDSA-N 2 2 309.457 3.438 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000676572236 548382055 /nfs/dbraw/zinc/38/20/55/548382055.db2.gz RPOCWEGZSWFTTA-GJZGRUSLSA-N 2 2 303.381 3.059 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000678143724 548625399 /nfs/dbraw/zinc/62/53/99/548625399.db2.gz VNIQTBXGNBRWSE-QAPCUYQASA-N 2 2 306.413 3.450 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234832 548649255 /nfs/dbraw/zinc/64/92/55/548649255.db2.gz LZCXHERXXRTBDD-LBPRGKRZSA-N 2 2 310.323 3.134 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234832 548649256 /nfs/dbraw/zinc/64/92/56/548649256.db2.gz LZCXHERXXRTBDD-LBPRGKRZSA-N 2 2 310.323 3.134 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3C3CC3)CC2)c1 ZINC000678236460 548649463 /nfs/dbraw/zinc/64/94/63/548649463.db2.gz CXINFUJTQMDCPB-UHFFFAOYSA-N 2 2 323.440 3.290 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234854 548649478 /nfs/dbraw/zinc/64/94/78/548649478.db2.gz MJMYVJJWPNGIOL-UKRRQHHQSA-N 2 2 318.446 3.028 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)C2)c[nH+]1 ZINC000678234854 548649482 /nfs/dbraw/zinc/64/94/82/548649482.db2.gz MJMYVJJWPNGIOL-UKRRQHHQSA-N 2 2 318.446 3.028 20 0 DGADLP Fc1ccc2cc[nH+]c(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000678313200 548677699 /nfs/dbraw/zinc/67/76/99/548677699.db2.gz RHIKLAKVSRQYER-INIZCTEOSA-N 2 2 315.392 3.039 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361932 548688643 /nfs/dbraw/zinc/68/86/43/548688643.db2.gz NXIMXKCKLPRJSG-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361932 548688649 /nfs/dbraw/zinc/68/86/49/548688649.db2.gz NXIMXKCKLPRJSG-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)n1 ZINC000678413566 548697622 /nfs/dbraw/zinc/69/76/22/548697622.db2.gz JVRBZTDLWJVILT-QGZVFWFLSA-N 2 2 324.472 3.409 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000678497765 548716636 /nfs/dbraw/zinc/71/66/36/548716636.db2.gz KUCLLXUYZBLZRN-OTBHMBEGSA-N 2 2 316.489 3.495 20 0 DGADLP CCC1(O)CCC([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000678497765 548716640 /nfs/dbraw/zinc/71/66/40/548716640.db2.gz KUCLLXUYZBLZRN-OTBHMBEGSA-N 2 2 316.489 3.495 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734052 548754958 /nfs/dbraw/zinc/75/49/58/548754958.db2.gz WITLHIMHQRGUHG-GUDVDZBRSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734052 548754959 /nfs/dbraw/zinc/75/49/59/548754959.db2.gz WITLHIMHQRGUHG-GUDVDZBRSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000678770283 548760052 /nfs/dbraw/zinc/76/00/52/548760052.db2.gz BQZXLDYIGAOCBK-HNAYVOBHSA-N 2 2 302.462 3.010 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000678770279 548760299 /nfs/dbraw/zinc/76/02/99/548760299.db2.gz BQZXLDYIGAOCBK-BEFAXECRSA-N 2 2 302.462 3.010 20 0 DGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000678771746 548760371 /nfs/dbraw/zinc/76/03/71/548760371.db2.gz YWYYMKAMVFBBSM-FHLIZLRMSA-N 2 2 304.503 3.337 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000678883826 548787571 /nfs/dbraw/zinc/78/75/71/548787571.db2.gz WCBRDBPCWZRBIV-RBUKOAKNSA-N 2 2 313.445 3.373 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000678883826 548787575 /nfs/dbraw/zinc/78/75/75/548787575.db2.gz WCBRDBPCWZRBIV-RBUKOAKNSA-N 2 2 313.445 3.373 20 0 DGADLP CCC1(CC)[C@@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)C[C@@H]1OC ZINC000678926066 548793419 /nfs/dbraw/zinc/79/34/19/548793419.db2.gz GMLSRBWFAZQUMF-IRXDYDNUSA-N 2 2 315.461 3.369 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1F ZINC000678945510 548798973 /nfs/dbraw/zinc/79/89/73/548798973.db2.gz OLLHNTYNRONVMU-HIFRSBDPSA-N 2 2 324.415 3.259 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042298 548821760 /nfs/dbraw/zinc/82/17/60/548821760.db2.gz ABNCDTIMTXXZMH-XLIONFOSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042298 548821764 /nfs/dbraw/zinc/82/17/64/548821764.db2.gz ABNCDTIMTXXZMH-XLIONFOSSA-N 2 2 316.489 3.182 20 0 DGADLP FC(F)O[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680335724 549031723 /nfs/dbraw/zinc/03/17/23/549031723.db2.gz ZLKCZSRVOPQKPH-GFCCVEGCSA-N 2 2 313.373 3.137 20 0 DGADLP FC(F)O[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680335724 549031728 /nfs/dbraw/zinc/03/17/28/549031728.db2.gz ZLKCZSRVOPQKPH-GFCCVEGCSA-N 2 2 313.373 3.137 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681274438 549185732 /nfs/dbraw/zinc/18/57/32/549185732.db2.gz PCRXYBPTGONSIM-UHFFFAOYSA-N 2 2 319.368 3.021 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000681976857 549270662 /nfs/dbraw/zinc/27/06/62/549270662.db2.gz NBEYRERHFINXAQ-OALUTQOASA-N 2 2 316.489 3.098 20 0 DGADLP Cc1ncc([C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439596 549323088 /nfs/dbraw/zinc/32/30/88/549323088.db2.gz VMELRRQBFHMWON-NVXWUHKLSA-N 2 2 302.466 3.105 20 0 DGADLP Cc1ncc([C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC000682439596 549323091 /nfs/dbraw/zinc/32/30/91/549323091.db2.gz VMELRRQBFHMWON-NVXWUHKLSA-N 2 2 302.466 3.105 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000683010097 549414954 /nfs/dbraw/zinc/41/49/54/549414954.db2.gz WRDKMQJIKMDOHW-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000683010097 549414957 /nfs/dbraw/zinc/41/49/57/549414957.db2.gz WRDKMQJIKMDOHW-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000683010097 549414962 /nfs/dbraw/zinc/41/49/62/549414962.db2.gz WRDKMQJIKMDOHW-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccnc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000683010097 549414965 /nfs/dbraw/zinc/41/49/65/549414965.db2.gz WRDKMQJIKMDOHW-MSOLQXFVSA-N 2 2 301.478 3.476 20 0 DGADLP CC(C)C1CC([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000683107358 549430253 /nfs/dbraw/zinc/43/02/53/549430253.db2.gz KTTDNPGYAINFFG-SOAGJPPSSA-N 2 2 316.489 3.038 20 0 DGADLP CC(C)C1CC([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000683107358 549430256 /nfs/dbraw/zinc/43/02/56/549430256.db2.gz KTTDNPGYAINFFG-SOAGJPPSSA-N 2 2 316.489 3.038 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683436106 549484681 /nfs/dbraw/zinc/48/46/81/549484681.db2.gz LTJFOPKTMPXBRD-DOTOQJQBSA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683436106 549484682 /nfs/dbraw/zinc/48/46/82/549484682.db2.gz LTJFOPKTMPXBRD-DOTOQJQBSA-N 2 2 300.446 3.159 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000683693787 549520702 /nfs/dbraw/zinc/52/07/02/549520702.db2.gz DANNNUBOSFWIFF-WMZOPIPTSA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000683693787 549520705 /nfs/dbraw/zinc/52/07/05/549520705.db2.gz DANNNUBOSFWIFF-WMZOPIPTSA-N 2 2 304.865 3.414 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@H]2C)C[N@H+](Cc2ccccc2)C1 ZINC000685443851 549761844 /nfs/dbraw/zinc/76/18/44/549761844.db2.gz DSXLJXWWWXJLPL-JYBIWHBTSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@H]2C)C[N@@H+](Cc2ccccc2)C1 ZINC000685443851 549761847 /nfs/dbraw/zinc/76/18/47/549761847.db2.gz DSXLJXWWWXJLPL-JYBIWHBTSA-N 2 2 316.489 3.159 20 0 DGADLP C[NH+](C)CCN(Cc1c[nH+]c2ccccn12)CC1CCCCC1 ZINC000685455299 549762644 /nfs/dbraw/zinc/76/26/44/549762644.db2.gz RBRCPQUUIBEWLI-UHFFFAOYSA-N 2 2 314.477 3.278 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1nn(C)c2ccccc12 ZINC000685459618 549764075 /nfs/dbraw/zinc/76/40/75/549764075.db2.gz JEYLLUBSOSWTDH-UHFFFAOYSA-N 2 2 302.466 3.127 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1nn(C)c2ccccc12 ZINC000685459618 549764077 /nfs/dbraw/zinc/76/40/77/549764077.db2.gz JEYLLUBSOSWTDH-UHFFFAOYSA-N 2 2 302.466 3.127 20 0 DGADLP Cc1cc2ncn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000738157133 574860209 /nfs/dbraw/zinc/86/02/09/574860209.db2.gz HCXGUCJTNHKDAB-INIZCTEOSA-N 2 2 309.417 3.144 20 0 DGADLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000743262218 575040890 /nfs/dbraw/zinc/04/08/90/575040890.db2.gz REGKPTVCGGXWKL-AWEZNQCLSA-N 2 2 323.868 3.133 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393193 575048917 /nfs/dbraw/zinc/04/89/17/575048917.db2.gz JUEPTAFTYBHLHJ-HNNXBMFYSA-N 2 2 318.490 3.233 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393193 575048920 /nfs/dbraw/zinc/04/89/20/575048920.db2.gz JUEPTAFTYBHLHJ-HNNXBMFYSA-N 2 2 318.490 3.233 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393193 575048923 /nfs/dbraw/zinc/04/89/23/575048923.db2.gz JUEPTAFTYBHLHJ-HNNXBMFYSA-N 2 2 318.490 3.233 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000743393193 575048926 /nfs/dbraw/zinc/04/89/26/575048926.db2.gz JUEPTAFTYBHLHJ-HNNXBMFYSA-N 2 2 318.490 3.233 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CCCC[NH+](C)C)c2)[nH+]c1C ZINC000729525784 575254367 /nfs/dbraw/zinc/25/43/67/575254367.db2.gz KXZMZTROSRMPRZ-UHFFFAOYSA-N 2 2 314.433 3.364 20 0 DGADLP Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000750038899 575699156 /nfs/dbraw/zinc/69/91/56/575699156.db2.gz LYKASOMHMWSXBB-SFHVURJKSA-N 2 2 320.396 3.310 20 0 DGADLP Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000750038899 575699157 /nfs/dbraw/zinc/69/91/57/575699157.db2.gz LYKASOMHMWSXBB-SFHVURJKSA-N 2 2 320.396 3.310 20 0 DGADLP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852755324 620646274 /nfs/dbraw/zinc/64/62/74/620646274.db2.gz MTJRYZAJJHQYTD-GFCCVEGCSA-N 2 2 316.371 3.151 20 0 DGADLP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852755324 620646277 /nfs/dbraw/zinc/64/62/77/620646277.db2.gz MTJRYZAJJHQYTD-GFCCVEGCSA-N 2 2 316.371 3.151 20 0 DGADLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1SC(F)(F)F ZINC000852754721 620646372 /nfs/dbraw/zinc/64/63/72/620646372.db2.gz KPNLUGBPDBGCBG-UHFFFAOYSA-N 2 2 322.396 3.476 20 0 DGADLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1SC(F)(F)F ZINC000852754721 620646373 /nfs/dbraw/zinc/64/63/73/620646373.db2.gz KPNLUGBPDBGCBG-UHFFFAOYSA-N 2 2 322.396 3.476 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000853694520 620725959 /nfs/dbraw/zinc/72/59/59/620725959.db2.gz MIUQMPJYHJJRJT-INIZCTEOSA-N 2 2 307.413 3.130 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000853694520 620725963 /nfs/dbraw/zinc/72/59/63/620725963.db2.gz MIUQMPJYHJJRJT-INIZCTEOSA-N 2 2 307.413 3.130 20 0 DGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2c(n1)CCCC2 ZINC000891846668 617911106 /nfs/dbraw/zinc/91/11/06/617911106.db2.gz RHRQQDUKWAFUTJ-UHFFFAOYSA-N 2 2 310.445 3.372 20 0 DGADLP c1nn(C2CCC2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892086239 617958867 /nfs/dbraw/zinc/95/88/67/617958867.db2.gz ONPCJPHHCNSUBJ-QGZVFWFLSA-N 2 2 302.466 3.058 20 0 DGADLP c1nn(C2CCC2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892086239 617958870 /nfs/dbraw/zinc/95/88/70/617958870.db2.gz ONPCJPHHCNSUBJ-QGZVFWFLSA-N 2 2 302.466 3.058 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103512 617962704 /nfs/dbraw/zinc/96/27/04/617962704.db2.gz JZEOWAKNOYUFMF-PBHICJAKSA-N 2 2 306.498 3.385 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103512 617962707 /nfs/dbraw/zinc/96/27/07/617962707.db2.gz JZEOWAKNOYUFMF-PBHICJAKSA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103512 617962709 /nfs/dbraw/zinc/96/27/09/617962709.db2.gz JZEOWAKNOYUFMF-PBHICJAKSA-N 2 2 306.498 3.385 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C(C)C)c2C)C[C@H]1C ZINC000892103512 617962710 /nfs/dbraw/zinc/96/27/10/617962710.db2.gz JZEOWAKNOYUFMF-PBHICJAKSA-N 2 2 306.498 3.385 20 0 DGADLP C[C@@H]1OC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]1C ZINC000926497194 618033004 /nfs/dbraw/zinc/03/30/04/618033004.db2.gz SMWIKXHJPSYKFJ-TYNCELHUSA-N 2 2 305.809 3.039 20 0 DGADLP CCc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924552792 618088987 /nfs/dbraw/zinc/08/89/87/618088987.db2.gz OEAAEOGOHNTXRB-IBGZPJMESA-N 2 2 306.413 3.220 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000892605577 618116978 /nfs/dbraw/zinc/11/69/78/618116978.db2.gz BDOTZDGUSLXYCB-UHFFFAOYSA-N 2 2 314.429 3.351 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892649381 618125910 /nfs/dbraw/zinc/12/59/10/618125910.db2.gz LGGVYUWRDSUZMY-OAHLLOKOSA-N 2 2 307.825 3.447 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926790288 618130476 /nfs/dbraw/zinc/13/04/76/618130476.db2.gz HONGECSIYRKPNW-MOPGFXCFSA-N 3 2 307.526 3.103 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926790288 618130477 /nfs/dbraw/zinc/13/04/77/618130477.db2.gz HONGECSIYRKPNW-MOPGFXCFSA-N 3 2 307.526 3.103 20 0 DGADLP Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc(C2CCC2)[nH+]1 ZINC000892687186 618138933 /nfs/dbraw/zinc/13/89/33/618138933.db2.gz KLQFGKCONGFRCL-INIZCTEOSA-N 2 2 314.477 3.365 20 0 DGADLP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000920094578 620782861 /nfs/dbraw/zinc/78/28/61/620782861.db2.gz GHQLMPYOVJAXFD-RDJZCZTQSA-N 2 2 316.445 3.272 20 0 DGADLP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000920094578 620782863 /nfs/dbraw/zinc/78/28/63/620782863.db2.gz GHQLMPYOVJAXFD-RDJZCZTQSA-N 2 2 316.445 3.272 20 0 DGADLP CCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000892751686 618301573 /nfs/dbraw/zinc/30/15/73/618301573.db2.gz ZHASJEWQTPEUFS-UHFFFAOYSA-N 2 2 306.450 3.423 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924602918 618301653 /nfs/dbraw/zinc/30/16/53/618301653.db2.gz PDACAPMLTIJFCG-OALUTQOASA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924602918 618301659 /nfs/dbraw/zinc/30/16/59/618301659.db2.gz PDACAPMLTIJFCG-OALUTQOASA-N 2 2 302.462 3.330 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925070007 618310117 /nfs/dbraw/zinc/31/01/17/618310117.db2.gz JCVQKWUNJDMDLE-HSALFYBXSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925070007 618310125 /nfs/dbraw/zinc/31/01/25/618310125.db2.gz JCVQKWUNJDMDLE-HSALFYBXSA-N 2 2 316.489 3.302 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)on1 ZINC000924606653 618323527 /nfs/dbraw/zinc/32/35/27/618323527.db2.gz MWILJYLUESLUSI-AWEZNQCLSA-N 2 2 315.417 3.130 20 0 DGADLP COc1ccc(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000925480553 620804189 /nfs/dbraw/zinc/80/41/89/620804189.db2.gz WRISEBUKHNRLRZ-FZKQIMNGSA-N 2 2 302.393 3.055 20 0 DGADLP Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)nc(C2CCC2)[nH+]1 ZINC000893092821 618422204 /nfs/dbraw/zinc/42/22/04/618422204.db2.gz RZJIBUVLZMANQS-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)nc(C2CCC2)[nH+]1 ZINC000893092821 618422206 /nfs/dbraw/zinc/42/22/06/618422206.db2.gz RZJIBUVLZMANQS-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000925515110 618452604 /nfs/dbraw/zinc/45/26/04/618452604.db2.gz DKZZKMWLMPAVOT-VUCTXSBTSA-N 2 2 304.821 3.052 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000925658766 618522111 /nfs/dbraw/zinc/52/21/11/618522111.db2.gz UQMQZHXUKYHSCC-GOPGUHFVSA-N 2 2 322.811 3.191 20 0 DGADLP CC(C)OC1CC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895111407 618539921 /nfs/dbraw/zinc/53/99/21/618539921.db2.gz DSNFCPAFVVEFMY-OJHJNGDYSA-N 2 2 303.450 3.114 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc3c[nH]nc3c2)c2cccc[nH+]2)CC1 ZINC000895111054 618539964 /nfs/dbraw/zinc/53/99/64/618539964.db2.gz JNNSBPAWXSERKI-QAQDUYKDSA-N 2 2 321.428 3.234 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2Cl)c2cccc[nH+]2)CC1 ZINC000895115921 618540926 /nfs/dbraw/zinc/54/09/26/618540926.db2.gz PUVFVGFWQJDXGV-SHTZXODSSA-N 2 2 316.836 3.407 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc3n[nH]cc32)c2cccc[nH+]2)CC1 ZINC000895116793 618541703 /nfs/dbraw/zinc/54/17/03/618541703.db2.gz UCOPTBJXBIEFJG-WKILWMFISA-N 2 2 321.428 3.234 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1c(C)ccnc1N)C1CCCCC1 ZINC000895134568 618548099 /nfs/dbraw/zinc/54/80/99/618548099.db2.gz HCXLBDVSHBNOJE-UHFFFAOYSA-N 2 2 304.482 3.107 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1c(C)ccnc1N)C1CCCCC1 ZINC000895134568 618548100 /nfs/dbraw/zinc/54/81/00/618548100.db2.gz HCXLBDVSHBNOJE-UHFFFAOYSA-N 2 2 304.482 3.107 20 0 DGADLP Clc1cccc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925721678 618550833 /nfs/dbraw/zinc/55/08/33/618550833.db2.gz DAYXXLRTEGJRAQ-CVEARBPZSA-N 2 2 306.837 3.078 20 0 DGADLP Clc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000925721678 618550835 /nfs/dbraw/zinc/55/08/35/618550835.db2.gz DAYXXLRTEGJRAQ-CVEARBPZSA-N 2 2 306.837 3.078 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1Cl ZINC000893488932 618570763 /nfs/dbraw/zinc/57/07/63/618570763.db2.gz VTRNUTGPBCQJGO-JSGCOSHPSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1Cl ZINC000893488932 618570766 /nfs/dbraw/zinc/57/07/66/618570766.db2.gz VTRNUTGPBCQJGO-JSGCOSHPSA-N 2 2 324.900 3.125 20 0 DGADLP C[C@H](CC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)[NH+](C)C ZINC000895296847 618590564 /nfs/dbraw/zinc/59/05/64/618590564.db2.gz GETHOJGTLJBSMZ-CYBMUJFWSA-N 2 2 320.868 3.170 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925749527 618593666 /nfs/dbraw/zinc/59/36/66/618593666.db2.gz CAQLSJSXTFCQGK-OAHLLOKOSA-N 2 2 313.470 3.383 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925749527 618593669 /nfs/dbraw/zinc/59/36/69/618593669.db2.gz CAQLSJSXTFCQGK-OAHLLOKOSA-N 2 2 313.470 3.383 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925792371 618620753 /nfs/dbraw/zinc/62/07/53/618620753.db2.gz GLSVBIDQTSQZTC-BBRMVZONSA-N 2 2 308.853 3.149 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925793314 618620892 /nfs/dbraw/zinc/62/08/92/618620892.db2.gz IDRFKMTVLLDOKC-FUHWJXTLSA-N 2 2 302.462 3.113 20 0 DGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795733 618621430 /nfs/dbraw/zinc/62/14/30/618621430.db2.gz PBQCHBUVIBTEQO-DOTOQJQBSA-N 2 2 320.864 3.076 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000893640232 618627863 /nfs/dbraw/zinc/62/78/63/618627863.db2.gz LUTLJTYQISWNHA-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000893640232 618627864 /nfs/dbraw/zinc/62/78/64/618627864.db2.gz LUTLJTYQISWNHA-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP COCC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000925923884 618669123 /nfs/dbraw/zinc/66/91/23/618669123.db2.gz KBOLIBKNTQYDDQ-FUHWJXTLSA-N 2 2 300.446 3.123 20 0 DGADLP COCC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000925923884 618669124 /nfs/dbraw/zinc/66/91/24/618669124.db2.gz KBOLIBKNTQYDDQ-FUHWJXTLSA-N 2 2 300.446 3.123 20 0 DGADLP FC(F)COc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000893966212 618684058 /nfs/dbraw/zinc/68/40/58/618684058.db2.gz JVTFAEBREYCGEV-CQSZACIVSA-N 2 2 321.371 3.433 20 0 DGADLP FC(F)COc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000893966212 618684060 /nfs/dbraw/zinc/68/40/60/618684060.db2.gz JVTFAEBREYCGEV-CQSZACIVSA-N 2 2 321.371 3.433 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894019453 618693597 /nfs/dbraw/zinc/69/35/97/618693597.db2.gz CQRBNNXKBWUIEO-LLVKDONJSA-N 2 2 309.866 3.333 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894019453 618693600 /nfs/dbraw/zinc/69/36/00/618693600.db2.gz CQRBNNXKBWUIEO-LLVKDONJSA-N 2 2 309.866 3.333 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000894038248 618697479 /nfs/dbraw/zinc/69/74/79/618697479.db2.gz XOGDRILNQMZYBK-LLVKDONJSA-N 2 2 321.412 3.164 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000894038248 618697482 /nfs/dbraw/zinc/69/74/82/618697482.db2.gz XOGDRILNQMZYBK-LLVKDONJSA-N 2 2 321.412 3.164 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889700 618723579 /nfs/dbraw/zinc/72/35/79/618723579.db2.gz PKGRFOVWLPBPOZ-SMDDNHRTSA-N 2 2 316.449 3.451 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000894288620 618753083 /nfs/dbraw/zinc/75/30/83/618753083.db2.gz WDHPQLNOPIIKAL-XJKSGUPXSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000894288620 618753086 /nfs/dbraw/zinc/75/30/86/618753086.db2.gz WDHPQLNOPIIKAL-XJKSGUPXSA-N 2 2 305.447 3.217 20 0 DGADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000894325757 618764810 /nfs/dbraw/zinc/76/48/10/618764810.db2.gz KEALBGBHQQETCG-UHFFFAOYSA-N 2 2 322.474 3.031 20 0 DGADLP CCC1([NH+]2CCCCC2)CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000895553428 618797823 /nfs/dbraw/zinc/79/78/23/618797823.db2.gz BUDGXYNRMBJPBW-UHFFFAOYSA-N 2 2 316.493 3.060 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895708150 618822310 /nfs/dbraw/zinc/82/23/10/618822310.db2.gz ZNJYHUZTEDCHET-RYQLBKOJSA-N 2 2 301.434 3.275 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnn(C)c2C2CC2)CC1 ZINC000895736627 618826436 /nfs/dbraw/zinc/82/64/36/618826436.db2.gz NZTPIWRAYBBURW-UHFFFAOYSA-N 2 2 316.493 3.138 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000895753201 618827389 /nfs/dbraw/zinc/82/73/89/618827389.db2.gz GWWPKKDDFMNLCD-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c(C)cccc2OC)CC1 ZINC000895822580 618836229 /nfs/dbraw/zinc/83/62/29/618836229.db2.gz OMJXBZCAGGTXAV-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP Cn1c2ccccc2[nH+]c1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000895893675 618846817 /nfs/dbraw/zinc/84/68/17/618846817.db2.gz ZBBKCFQOROPIAD-OAHLLOKOSA-N 2 2 309.417 3.073 20 0 DGADLP c1c2cnccc2oc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896194528 618885322 /nfs/dbraw/zinc/88/53/22/618885322.db2.gz ONMQYJNLZJFRFX-UHFFFAOYSA-N 2 2 308.385 3.299 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896719336 618948343 /nfs/dbraw/zinc/94/83/43/618948343.db2.gz CUUOJHOVHFUDSW-KXBFYZLASA-N 2 2 313.445 3.001 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cn(C)cn1 ZINC000925138929 618990703 /nfs/dbraw/zinc/99/07/03/618990703.db2.gz YQYPCSBAECOVHI-ZQIUZPCESA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cn(C)cn1 ZINC000925138929 618990705 /nfs/dbraw/zinc/99/07/05/618990705.db2.gz YQYPCSBAECOVHI-ZQIUZPCESA-N 2 2 318.490 3.215 20 0 DGADLP CC(C)[NH+](CCCN[C@H](C)c1cn2c([nH+]1)CCCC2)C(C)C ZINC000925198054 619073263 /nfs/dbraw/zinc/07/32/63/619073263.db2.gz XRHNPXJXUYEKOU-MRXNPFEDSA-N 2 2 306.498 3.379 20 0 DGADLP C[C@@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000897711647 619174680 /nfs/dbraw/zinc/17/46/80/619174680.db2.gz PVNZCPPJJWCICW-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000897711647 619174683 /nfs/dbraw/zinc/17/46/83/619174683.db2.gz PVNZCPPJJWCICW-DZFGPLHGSA-N 2 2 324.468 3.015 20 0 DGADLP Cc1[nH+]cc(CN2CCC([NH2+]C3CCC3)CC2)n1-c1ccccc1 ZINC000897981663 619203085 /nfs/dbraw/zinc/20/30/85/619203085.db2.gz PVNNDUUSXRBORD-UHFFFAOYSA-N 2 2 324.472 3.287 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000926960850 619252924 /nfs/dbraw/zinc/25/29/24/619252924.db2.gz HJILKUUKDXLJDQ-WFASDCNBSA-N 2 2 318.383 3.323 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000926965390 619254047 /nfs/dbraw/zinc/25/40/47/619254047.db2.gz QMOOMNCKGYXQKK-SWLSCSKDSA-N 2 2 318.383 3.323 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706109 619261509 /nfs/dbraw/zinc/26/15/09/619261509.db2.gz OEFVZXYXTNPHGW-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706109 619261512 /nfs/dbraw/zinc/26/15/12/619261512.db2.gz OEFVZXYXTNPHGW-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c(OC)c1 ZINC000924719369 619265625 /nfs/dbraw/zinc/26/56/25/619265625.db2.gz WUNBXGXTPGIWFP-UHFFFAOYSA-N 2 2 320.477 3.304 20 0 DGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Br)CC1 ZINC000924727494 619268222 /nfs/dbraw/zinc/26/82/22/619268222.db2.gz APXOIKFESRJJNC-NWDGAFQWSA-N 2 2 314.271 3.203 20 0 DGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000899234911 619322516 /nfs/dbraw/zinc/32/25/16/619322516.db2.gz UTEJWIMFJZELIU-IAGOWNOFSA-N 2 2 324.428 3.138 20 0 DGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000899234911 619322517 /nfs/dbraw/zinc/32/25/17/619322517.db2.gz UTEJWIMFJZELIU-IAGOWNOFSA-N 2 2 324.428 3.138 20 0 DGADLP CCn1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000902267372 619612981 /nfs/dbraw/zinc/61/29/81/619612981.db2.gz VQHMQSGRVVNNMR-RHSMWYFYSA-N 2 2 318.490 3.137 20 0 DGADLP CCn1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000902267372 619612984 /nfs/dbraw/zinc/61/29/84/619612984.db2.gz VQHMQSGRVVNNMR-RHSMWYFYSA-N 2 2 318.490 3.137 20 0 DGADLP [NH3+]CCCC[C@H]([NH2+]Cc1nccs1)c1ccc(F)cc1F ZINC000902322003 619618003 /nfs/dbraw/zinc/61/80/03/619618003.db2.gz YATWGOHZLYXMSV-AWEZNQCLSA-N 2 2 311.401 3.381 20 0 DGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902485279 619646088 /nfs/dbraw/zinc/64/60/88/619646088.db2.gz ZEFSLLGDARHBEE-MNEFBYGVSA-N 2 2 320.452 3.415 20 0 DGADLP c1cn(CC[NH2+][C@H](CCc2cccnc2)c2ccccc2)c[nH+]1 ZINC000902725065 619666194 /nfs/dbraw/zinc/66/61/94/619666194.db2.gz OPCUCXVRUIQSEP-LJQANCHMSA-N 2 2 306.413 3.242 20 0 DGADLP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000902765655 619672642 /nfs/dbraw/zinc/67/26/42/619672642.db2.gz RXDZEQHEFWZYCT-CVEARBPZSA-N 2 2 317.408 3.449 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902801993 619675641 /nfs/dbraw/zinc/67/56/41/619675641.db2.gz HHMLVGWBVBVHND-HDMKZQKVSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902806999 619675999 /nfs/dbraw/zinc/67/59/99/619675999.db2.gz UCCODEXPTHZIPL-VQIMIIECSA-N 2 2 321.424 3.127 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797769 619678297 /nfs/dbraw/zinc/67/82/97/619678297.db2.gz YTHWTNVCZWVFLV-RYUDHWBXSA-N 2 2 301.356 3.093 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797769 619678299 /nfs/dbraw/zinc/67/82/99/619678299.db2.gz YTHWTNVCZWVFLV-RYUDHWBXSA-N 2 2 301.356 3.093 20 0 DGADLP COc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000903057498 619707412 /nfs/dbraw/zinc/70/74/12/619707412.db2.gz CPXPBKNHGFATSZ-AWEZNQCLSA-N 2 2 308.853 3.410 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(CC2CCC2)c1 ZINC000903197013 619734326 /nfs/dbraw/zinc/73/43/26/619734326.db2.gz UTLXACRIVYFJQD-ZYSHUDEJSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(CC2CCC2)c1 ZINC000903197013 619734328 /nfs/dbraw/zinc/73/43/28/619734328.db2.gz UTLXACRIVYFJQD-ZYSHUDEJSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243714 619743243 /nfs/dbraw/zinc/74/32/43/619743243.db2.gz IAYJQBGWMKAUCZ-MAUKXSAKSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000903243714 619743244 /nfs/dbraw/zinc/74/32/44/619743244.db2.gz IAYJQBGWMKAUCZ-MAUKXSAKSA-N 2 2 301.478 3.318 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCCCC1 ZINC000903376989 619767927 /nfs/dbraw/zinc/76/79/27/619767927.db2.gz IDZLHZPBUBEOQL-WMZOPIPTSA-N 2 2 319.493 3.402 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000903384690 619769468 /nfs/dbraw/zinc/76/94/68/619769468.db2.gz SQSAWLBSWBAYIU-HZPDHXFCSA-N 2 2 305.466 3.010 20 0 DGADLP C[C@@H](Cc1cccs1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385746 619769885 /nfs/dbraw/zinc/76/98/85/619769885.db2.gz ZLYRNIURLAWTTM-YOEHRIQHSA-N 2 2 303.475 3.357 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000903528359 619783680 /nfs/dbraw/zinc/78/36/80/619783680.db2.gz HQEKVOGCFGZYRR-IBGZPJMESA-N 2 2 312.461 3.063 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000903528359 619783681 /nfs/dbraw/zinc/78/36/81/619783681.db2.gz HQEKVOGCFGZYRR-IBGZPJMESA-N 2 2 312.461 3.063 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000903821089 619819320 /nfs/dbraw/zinc/81/93/20/619819320.db2.gz GTLOZTVCWPHHJF-HZPDHXFCSA-N 2 2 304.340 3.002 20 0 DGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000903888790 619826099 /nfs/dbraw/zinc/82/60/99/619826099.db2.gz LDHCJUCKTBHREX-CQSZACIVSA-N 2 2 307.388 3.330 20 0 DGADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000903958391 619839108 /nfs/dbraw/zinc/83/91/08/619839108.db2.gz ZDWCTAREJKNCOP-AWEZNQCLSA-N 2 2 306.356 3.281 20 0 DGADLP C[C@H](C[N@@H+]1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000903945425 619843054 /nfs/dbraw/zinc/84/30/54/619843054.db2.gz UITGSNFKJUZCDB-LLVKDONJSA-N 2 2 321.877 3.417 20 0 DGADLP C[C@H](C[N@H+]1CCc2sc(C[NH3+])nc2C1)c1cccc(Cl)c1 ZINC000903945425 619843056 /nfs/dbraw/zinc/84/30/56/619843056.db2.gz UITGSNFKJUZCDB-LLVKDONJSA-N 2 2 321.877 3.417 20 0 DGADLP CCC1([NH3+])CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000903946086 619843281 /nfs/dbraw/zinc/84/32/81/619843281.db2.gz JNDLGDHBYUPNNX-UHFFFAOYSA-N 2 2 302.340 3.130 20 0 DGADLP CC(C)Cc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972700 619847530 /nfs/dbraw/zinc/84/75/30/619847530.db2.gz KGVGJBUIBZSWRR-LJQANCHMSA-N 2 2 316.489 3.133 20 0 DGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974901 619848113 /nfs/dbraw/zinc/84/81/13/619848113.db2.gz VBAQYPMJPZLXRM-GOSISDBHSA-N 2 2 316.489 3.232 20 0 DGADLP CCC[NH+](CCC)CCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904259726 619908179 /nfs/dbraw/zinc/90/81/79/619908179.db2.gz JFQNUDRUDYPDJY-UHFFFAOYSA-N 2 2 317.437 3.077 20 0 DGADLP Cc1nc2ccc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3[NH3+])cc2s1 ZINC000904459266 619923826 /nfs/dbraw/zinc/92/38/26/619923826.db2.gz QHABEYHRDAQLNE-SJLPKXTDSA-N 2 2 309.438 3.319 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000905392292 619996880 /nfs/dbraw/zinc/99/68/80/619996880.db2.gz YDGPRIIVTVMKJO-MOPGFXCFSA-N 2 2 302.462 3.025 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000905392292 619996882 /nfs/dbraw/zinc/99/68/82/619996882.db2.gz YDGPRIIVTVMKJO-MOPGFXCFSA-N 2 2 302.462 3.025 20 0 DGADLP c1cn(Cc2cccc(-c3cncc([C@H]4CCC[NH2+]4)c3)c2)c[nH+]1 ZINC000906159045 620061291 /nfs/dbraw/zinc/06/12/91/620061291.db2.gz PRWDASKVEHAJQC-LJQANCHMSA-N 2 2 304.397 3.418 20 0 DGADLP c1cn(C2CC[NH+](Cn3cc(-c4ccccc4)cn3)CC2)c[nH+]1 ZINC000152076047 620490675 /nfs/dbraw/zinc/49/06/75/620490675.db2.gz FBLQSOOOFJMGRK-UHFFFAOYSA-N 2 2 307.401 3.041 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnc(Cl)c1 ZINC000152789320 620523420 /nfs/dbraw/zinc/52/34/20/620523420.db2.gz RZGZJUGFIDEKTC-GFCCVEGCSA-N 2 2 304.825 3.161 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921689986 620934833 /nfs/dbraw/zinc/93/48/33/620934833.db2.gz XGCCLKJJRZUZGG-GFCCVEGCSA-N 2 2 310.873 3.151 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921689986 620934835 /nfs/dbraw/zinc/93/48/35/620934835.db2.gz XGCCLKJJRZUZGG-GFCCVEGCSA-N 2 2 310.873 3.151 20 0 DGADLP C([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000922284217 621017677 /nfs/dbraw/zinc/01/76/77/621017677.db2.gz AUZJVNPNFCSKNG-IMBTUZDBSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000922284217 621017679 /nfs/dbraw/zinc/01/76/79/621017679.db2.gz AUZJVNPNFCSKNG-IMBTUZDBSA-N 2 2 306.494 3.188 20 0 DGADLP CC[N@H+](Cc1cn(C)nc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000857046202 621050262 /nfs/dbraw/zinc/05/02/62/621050262.db2.gz KLKIYPKCDHULJB-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP CC[N@@H+](Cc1cn(C)nc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000857046202 621050265 /nfs/dbraw/zinc/05/02/65/621050265.db2.gz KLKIYPKCDHULJB-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922560960 621055886 /nfs/dbraw/zinc/05/58/86/621055886.db2.gz QGRNWQNJLUDWHG-UHFFFAOYSA-N 2 2 321.424 3.271 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CCCc2cn[nH]c21)[N@H+](C)Cc1ccccc1 ZINC000857856843 621123340 /nfs/dbraw/zinc/12/33/40/621123340.db2.gz PHKYMZWUCYZYST-YJBOKZPZSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CCCc2cn[nH]c21)[N@@H+](C)Cc1ccccc1 ZINC000857856843 621123342 /nfs/dbraw/zinc/12/33/42/621123342.db2.gz PHKYMZWUCYZYST-YJBOKZPZSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CCCc2c[nH]nc21)[N@H+](C)Cc1ccccc1 ZINC000857856843 621123343 /nfs/dbraw/zinc/12/33/43/621123343.db2.gz PHKYMZWUCYZYST-YJBOKZPZSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@@H](CC[NH2+][C@H]1CCCc2c[nH]nc21)[N@@H+](C)Cc1ccccc1 ZINC000857856843 621123345 /nfs/dbraw/zinc/12/33/45/621123345.db2.gz PHKYMZWUCYZYST-YJBOKZPZSA-N 2 2 312.461 3.287 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCc2cn[nH]c21)[N@H+](C)Cc1ccccc1 ZINC000857856841 621123586 /nfs/dbraw/zinc/12/35/86/621123586.db2.gz PHKYMZWUCYZYST-QAPCUYQASA-N 2 2 312.461 3.287 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCc2cn[nH]c21)[N@@H+](C)Cc1ccccc1 ZINC000857856841 621123587 /nfs/dbraw/zinc/12/35/87/621123587.db2.gz PHKYMZWUCYZYST-QAPCUYQASA-N 2 2 312.461 3.287 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCc2c[nH]nc21)[N@H+](C)Cc1ccccc1 ZINC000857856841 621123588 /nfs/dbraw/zinc/12/35/88/621123588.db2.gz PHKYMZWUCYZYST-QAPCUYQASA-N 2 2 312.461 3.287 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCc2c[nH]nc21)[N@@H+](C)Cc1ccccc1 ZINC000857856841 621123590 /nfs/dbraw/zinc/12/35/90/621123590.db2.gz PHKYMZWUCYZYST-QAPCUYQASA-N 2 2 312.461 3.287 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051703 621149177 /nfs/dbraw/zinc/14/91/77/621149177.db2.gz MKONNKJNCPQJGN-SFHVURJKSA-N 2 2 317.477 3.144 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051703 621149179 /nfs/dbraw/zinc/14/91/79/621149179.db2.gz MKONNKJNCPQJGN-SFHVURJKSA-N 2 2 317.477 3.144 20 0 DGADLP O=C(c1ccc(Cl)cc1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923303588 621173843 /nfs/dbraw/zinc/17/38/43/621173843.db2.gz OBLDQSGQPMSVEK-UHFFFAOYSA-N 2 2 320.864 3.377 20 0 DGADLP Cc1ccc(C(=O)C2CC[NH+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000923310257 621175394 /nfs/dbraw/zinc/17/53/94/621175394.db2.gz TZBFUKGHFKLAQM-UHFFFAOYSA-N 2 2 300.446 3.032 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)c[nH+]1 ZINC000838922026 621298742 /nfs/dbraw/zinc/29/87/42/621298742.db2.gz SECQGIYFZSAVGG-UHFFFAOYSA-N 2 2 304.397 3.046 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000754796344 621533109 /nfs/dbraw/zinc/53/31/09/621533109.db2.gz VPMCHTVENGCEJT-ZIFCJYIRSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000754796344 621533113 /nfs/dbraw/zinc/53/31/13/621533113.db2.gz VPMCHTVENGCEJT-ZIFCJYIRSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccnc(F)c2C)CC1 ZINC000862349916 621576507 /nfs/dbraw/zinc/57/65/07/621576507.db2.gz XFCWSFUYBDSEGZ-UHFFFAOYSA-N 2 2 315.392 3.276 20 0 DGADLP COC1(C[C@@H](C)[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000760014156 621910576 /nfs/dbraw/zinc/91/05/76/621910576.db2.gz HBFPDYPRUZVEGX-MRXNPFEDSA-N 2 2 317.477 3.198 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484431 621932445 /nfs/dbraw/zinc/93/24/45/621932445.db2.gz WYDQFGNKQHSOAO-OXJNMPFZSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484431 621932446 /nfs/dbraw/zinc/93/24/46/621932446.db2.gz WYDQFGNKQHSOAO-OXJNMPFZSA-N 2 2 324.472 3.218 20 0 DGADLP CC(C)(C)c1csc(C[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000865486238 621933436 /nfs/dbraw/zinc/93/34/36/621933436.db2.gz NNOKVWNBLMXWHM-UHFFFAOYSA-N 2 2 304.463 3.427 20 0 DGADLP C[N@H+](CC(F)F)C1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865590779 621958118 /nfs/dbraw/zinc/95/81/18/621958118.db2.gz RNUCRJDMYHAGHJ-UHFFFAOYSA-N 2 2 323.309 3.266 20 0 DGADLP C[N@@H+](CC(F)F)C1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865590779 621958119 /nfs/dbraw/zinc/95/81/19/621958119.db2.gz RNUCRJDMYHAGHJ-UHFFFAOYSA-N 2 2 323.309 3.266 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865731475 621985081 /nfs/dbraw/zinc/98/50/81/621985081.db2.gz OZZLAVBYZDDSFG-LLVKDONJSA-N 2 2 310.323 3.218 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC000764464873 622196216 /nfs/dbraw/zinc/19/62/16/622196216.db2.gz RDWSWKKPRILQDH-YQVWRLOYSA-N 2 2 304.478 3.474 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000764950484 622234961 /nfs/dbraw/zinc/23/49/61/622234961.db2.gz QYGBRQIUVXSEIP-IAGOWNOFSA-N 2 2 304.478 3.338 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000764950484 622234962 /nfs/dbraw/zinc/23/49/62/622234962.db2.gz QYGBRQIUVXSEIP-IAGOWNOFSA-N 2 2 304.478 3.338 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)C1 ZINC000765453037 622265949 /nfs/dbraw/zinc/26/59/49/622265949.db2.gz JJPAWMAIYACFNR-FXAWDEMLSA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)C1 ZINC000765453037 622265952 /nfs/dbraw/zinc/26/59/52/622265952.db2.gz JJPAWMAIYACFNR-FXAWDEMLSA-N 3 2 321.553 3.351 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000872019783 622755809 /nfs/dbraw/zinc/75/58/09/622755809.db2.gz ABJLVUYZTKBTDI-RTBURBONSA-N 2 2 313.445 3.226 20 0 DGADLP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000872022453 622757320 /nfs/dbraw/zinc/75/73/20/622757320.db2.gz XBSIIOJAQILIDT-MAUKXSAKSA-N 2 2 319.424 3.037 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872024814 622757900 /nfs/dbraw/zinc/75/79/00/622757900.db2.gz VYMFCEKNAOWPCQ-PMPSAXMXSA-N 2 2 307.482 3.481 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCOC1 ZINC000872026534 622759812 /nfs/dbraw/zinc/75/98/12/622759812.db2.gz FTVGBBQEYARHGV-NVXWUHKLSA-N 2 2 317.408 3.306 20 0 DGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(O)ccc1F ZINC000872030744 622762583 /nfs/dbraw/zinc/76/25/83/622762583.db2.gz BNUIGYJIOPLEKE-ZDUSSCGKSA-N 2 2 303.381 3.469 20 0 DGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(O)ccc1F ZINC000872030743 622762706 /nfs/dbraw/zinc/76/27/06/622762706.db2.gz BNUIGYJIOPLEKE-CYBMUJFWSA-N 2 2 303.381 3.469 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086993 622797606 /nfs/dbraw/zinc/79/76/06/622797606.db2.gz DFUNSAJJSIYPAP-UKRRQHHQSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086993 622797608 /nfs/dbraw/zinc/79/76/08/622797608.db2.gz DFUNSAJJSIYPAP-UKRRQHHQSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129436 622823741 /nfs/dbraw/zinc/82/37/41/622823741.db2.gz BFWPTEIAJZNFJG-NQBHXWOUSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129436 622823747 /nfs/dbraw/zinc/82/37/47/622823747.db2.gz BFWPTEIAJZNFJG-NQBHXWOUSA-N 2 2 301.356 3.234 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000872132225 622825285 /nfs/dbraw/zinc/82/52/85/622825285.db2.gz CZQUMPLAFUXYAV-QILLFSRXSA-N 2 2 316.493 3.479 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150515 622833903 /nfs/dbraw/zinc/83/39/03/622833903.db2.gz FJKPKJHQASZRFA-VXGBXAGGSA-N 2 2 308.294 3.193 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150515 622833911 /nfs/dbraw/zinc/83/39/11/622833911.db2.gz FJKPKJHQASZRFA-VXGBXAGGSA-N 2 2 308.294 3.193 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000873021543 623019255 /nfs/dbraw/zinc/01/92/55/623019255.db2.gz KXOSPLYMPLCVGZ-HNNXBMFYSA-N 2 2 316.380 3.368 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(C)CC(F)(F)C3)CC2)cc1 ZINC000873197939 623072528 /nfs/dbraw/zinc/07/25/28/623072528.db2.gz WQNPJNKPYGWPIP-UHFFFAOYSA-N 2 2 323.431 3.499 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000873223839 623081496 /nfs/dbraw/zinc/08/14/96/623081496.db2.gz TULCKXJQIZLCEF-KRWDZBQOSA-N 2 2 320.868 3.185 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000873223839 623081500 /nfs/dbraw/zinc/08/15/00/623081500.db2.gz TULCKXJQIZLCEF-KRWDZBQOSA-N 2 2 320.868 3.185 20 0 DGADLP Clc1cc2cccnc2c(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230923 623083951 /nfs/dbraw/zinc/08/39/51/623083951.db2.gz ZWJPYBVBSVDMDJ-DOTOQJQBSA-N 2 2 301.821 3.262 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)cc2)c[nH+]1 ZINC000873233015 623085952 /nfs/dbraw/zinc/08/59/52/623085952.db2.gz WDSZPWVCGKYEFS-IBGZPJMESA-N 3 2 324.472 3.274 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)c1c[nH+]ccc1N ZINC000873249894 623090796 /nfs/dbraw/zinc/09/07/96/623090796.db2.gz DCYAITLKPIIVJX-SECBINFHSA-N 2 2 311.307 3.085 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2cc(F)ccc12 ZINC000873275949 623101075 /nfs/dbraw/zinc/10/10/75/623101075.db2.gz PAMMKMQTNRGKKQ-GXTWGEPZSA-N 2 2 305.397 3.367 20 0 DGADLP Cc1cc(Br)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000774965167 623212021 /nfs/dbraw/zinc/21/20/21/623212021.db2.gz YANJDUXVXSVQSU-LBPRGKRZSA-N 2 2 308.223 3.132 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000776164247 623387369 /nfs/dbraw/zinc/38/73/69/623387369.db2.gz YKUJLRIGPGQVPP-LIRZEXBASA-N 2 2 311.429 3.336 20 0 DGADLP Clc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1 ZINC000876576823 623649463 /nfs/dbraw/zinc/64/94/63/623649463.db2.gz QRYHDAAUCAFKJY-UHFFFAOYSA-N 2 2 322.884 3.218 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000876779693 623705170 /nfs/dbraw/zinc/70/51/70/623705170.db2.gz BUAYIDWFBLHVLU-MRXNPFEDSA-N 2 2 319.468 3.055 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000876779693 623705175 /nfs/dbraw/zinc/70/51/75/623705175.db2.gz BUAYIDWFBLHVLU-MRXNPFEDSA-N 2 2 319.468 3.055 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876779693 623705177 /nfs/dbraw/zinc/70/51/77/623705177.db2.gz BUAYIDWFBLHVLU-MRXNPFEDSA-N 2 2 319.468 3.055 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779693 623705181 /nfs/dbraw/zinc/70/51/81/623705181.db2.gz BUAYIDWFBLHVLU-MRXNPFEDSA-N 2 2 319.468 3.055 20 0 DGADLP CCOC1CC(C[NH2+]c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000876819497 623717320 /nfs/dbraw/zinc/71/73/20/623717320.db2.gz ABHNUEHQGROYCW-UHFFFAOYSA-N 2 2 317.477 3.056 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000876956792 623754108 /nfs/dbraw/zinc/75/41/08/623754108.db2.gz NWGMVVZEJDFQPA-MDOVXXIYSA-N 2 2 304.415 3.173 20 0 DGADLP Fc1cc(C[NH2+]C[C@@H]2CC2(Cl)Cl)ccc1-n1cc[nH+]c1 ZINC000876970217 623757313 /nfs/dbraw/zinc/75/73/13/623757313.db2.gz LQFSVQCEJOYTFA-NSHDSACASA-N 2 2 314.191 3.295 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000876988815 623760719 /nfs/dbraw/zinc/76/07/19/623760719.db2.gz MYNGMLBQXYNKFR-XFQAVAEZSA-N 2 2 318.442 3.419 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877034083 623770966 /nfs/dbraw/zinc/77/09/66/623770966.db2.gz XMKXLMXHVXCAFG-YLJYHZDGSA-N 2 2 324.472 3.430 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]n1 ZINC000877034083 623770972 /nfs/dbraw/zinc/77/09/72/623770972.db2.gz XMKXLMXHVXCAFG-YLJYHZDGSA-N 2 2 324.472 3.430 20 0 DGADLP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000877480556 623903108 /nfs/dbraw/zinc/90/31/08/623903108.db2.gz ZEXGEXODZXOZTJ-YCRPNKLZSA-N 2 2 318.442 3.421 20 0 DGADLP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000877480556 623903113 /nfs/dbraw/zinc/90/31/13/623903113.db2.gz ZEXGEXODZXOZTJ-YCRPNKLZSA-N 2 2 318.442 3.421 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2c(ccnc2Cl)o1 ZINC000877528301 623925416 /nfs/dbraw/zinc/92/54/16/623925416.db2.gz WXDOQPZHIUKDDX-UHFFFAOYSA-N 2 2 304.781 3.200 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2c(ccnc2Cl)o1 ZINC000877528301 623925421 /nfs/dbraw/zinc/92/54/21/623925421.db2.gz WXDOQPZHIUKDDX-UHFFFAOYSA-N 2 2 304.781 3.200 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530315 623927045 /nfs/dbraw/zinc/92/70/45/623927045.db2.gz CPQAUNILZPZLNC-IAQYHMDHSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530315 623927048 /nfs/dbraw/zinc/92/70/48/623927048.db2.gz CPQAUNILZPZLNC-IAQYHMDHSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530315 623927053 /nfs/dbraw/zinc/92/70/53/623927053.db2.gz CPQAUNILZPZLNC-IAQYHMDHSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530315 623927056 /nfs/dbraw/zinc/92/70/56/623927056.db2.gz CPQAUNILZPZLNC-IAQYHMDHSA-N 2 2 316.367 3.199 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)n1-c1ccccc1 ZINC000877737114 624010738 /nfs/dbraw/zinc/01/07/38/624010738.db2.gz CSMUXRPGALGBJX-CVEARBPZSA-N 2 2 313.470 3.366 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)n1-c1ccccc1 ZINC000877737114 624010742 /nfs/dbraw/zinc/01/07/42/624010742.db2.gz CSMUXRPGALGBJX-CVEARBPZSA-N 2 2 313.470 3.366 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000877743562 624016623 /nfs/dbraw/zinc/01/66/23/624016623.db2.gz LCYKRJVTXRQNPD-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000877743562 624016624 /nfs/dbraw/zinc/01/66/24/624016624.db2.gz LCYKRJVTXRQNPD-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000877743562 624016625 /nfs/dbraw/zinc/01/66/25/624016625.db2.gz LCYKRJVTXRQNPD-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1OC ZINC000877743562 624016626 /nfs/dbraw/zinc/01/66/26/624016626.db2.gz LCYKRJVTXRQNPD-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CC1(C)CCC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)O1 ZINC000878320371 624244385 /nfs/dbraw/zinc/24/43/85/624244385.db2.gz DVZORHJTUYNLHX-MRXNPFEDSA-N 2 2 303.450 3.306 20 0 DGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782769502 624281745 /nfs/dbraw/zinc/28/17/45/624281745.db2.gz WMFZLRBEXCEMHV-QFBILLFUSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782769502 624281746 /nfs/dbraw/zinc/28/17/46/624281746.db2.gz WMFZLRBEXCEMHV-QFBILLFUSA-N 2 2 302.462 3.228 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878513114 624295336 /nfs/dbraw/zinc/29/53/36/624295336.db2.gz VEWZPZSRZRAWHQ-ROUUACIJSA-N 2 2 317.477 3.128 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878513114 624295339 /nfs/dbraw/zinc/29/53/39/624295339.db2.gz VEWZPZSRZRAWHQ-ROUUACIJSA-N 2 2 317.477 3.128 20 0 DGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1nc2cc(Cl)ccc2o1 ZINC000879158236 624440808 /nfs/dbraw/zinc/44/08/08/624440808.db2.gz FGPTWFZEDZXRMD-UHFFFAOYSA-N 2 2 304.781 3.203 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000879285952 624484474 /nfs/dbraw/zinc/48/44/74/624484474.db2.gz GHONTFYFHIRPGC-UHFFFAOYSA-N 2 2 318.461 3.088 20 0 DGADLP C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784591170 624553976 /nfs/dbraw/zinc/55/39/76/624553976.db2.gz FQTHOMVRMILYPT-WFASDCNBSA-N 2 2 317.414 3.129 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579443 624598314 /nfs/dbraw/zinc/59/83/14/624598314.db2.gz LOIJLWZJROTULF-DLBZAZTESA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579443 624598319 /nfs/dbraw/zinc/59/83/19/624598319.db2.gz LOIJLWZJROTULF-DLBZAZTESA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579443 624598320 /nfs/dbraw/zinc/59/83/20/624598320.db2.gz LOIJLWZJROTULF-DLBZAZTESA-N 2 2 311.429 3.176 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579443 624598325 /nfs/dbraw/zinc/59/83/25/624598325.db2.gz LOIJLWZJROTULF-DLBZAZTESA-N 2 2 311.429 3.176 20 0 DGADLP Clc1ccsc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000785466971 624671183 /nfs/dbraw/zinc/67/11/83/624671183.db2.gz RTLJSZXIODRHSF-CYBMUJFWSA-N 2 2 314.882 3.135 20 0 DGADLP C[C@H](CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136035 624802438 /nfs/dbraw/zinc/80/24/38/624802438.db2.gz DNFOBDCVAKYTOL-NEWSRXKRSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)OCc1ccccc1 ZINC000880136035 624802443 /nfs/dbraw/zinc/80/24/43/624802443.db2.gz DNFOBDCVAKYTOL-NEWSRXKRSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C)OCc1ccccc1 ZINC000880136035 624802447 /nfs/dbraw/zinc/80/24/47/624802447.db2.gz DNFOBDCVAKYTOL-NEWSRXKRSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C)OCc1ccccc1 ZINC000880136035 624802452 /nfs/dbraw/zinc/80/24/52/624802452.db2.gz DNFOBDCVAKYTOL-NEWSRXKRSA-N 2 2 302.462 3.150 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138037 624804469 /nfs/dbraw/zinc/80/44/69/624804469.db2.gz OSSRFJNXALBLMV-ROUUACIJSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138037 624804472 /nfs/dbraw/zinc/80/44/72/624804472.db2.gz OSSRFJNXALBLMV-ROUUACIJSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCSCc1ccccc1 ZINC000880138037 624804477 /nfs/dbraw/zinc/80/44/77/624804477.db2.gz OSSRFJNXALBLMV-ROUUACIJSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCSCc1ccccc1 ZINC000880138037 624804479 /nfs/dbraw/zinc/80/44/79/624804479.db2.gz OSSRFJNXALBLMV-ROUUACIJSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000880139920 624804561 /nfs/dbraw/zinc/80/45/61/624804561.db2.gz AXQWIJQXKPFGAG-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000880139920 624804564 /nfs/dbraw/zinc/80/45/64/624804564.db2.gz AXQWIJQXKPFGAG-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000880139920 624804567 /nfs/dbraw/zinc/80/45/67/624804567.db2.gz AXQWIJQXKPFGAG-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000880139920 624804569 /nfs/dbraw/zinc/80/45/69/624804569.db2.gz AXQWIJQXKPFGAG-FCGDIQPGSA-N 2 2 300.446 3.075 20 0 DGADLP c1ccc(CCCC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880204005 624838418 /nfs/dbraw/zinc/83/84/18/624838418.db2.gz JPCQOVJQKRBMMA-FQEVSTJZSA-N 2 2 316.489 3.242 20 0 DGADLP c1ccc(CCCC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880204005 624838423 /nfs/dbraw/zinc/83/84/23/624838423.db2.gz JPCQOVJQKRBMMA-FQEVSTJZSA-N 2 2 316.489 3.242 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208519 624842917 /nfs/dbraw/zinc/84/29/17/624842917.db2.gz IDWTZBPQVSKBBU-VQIMIIECSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208519 624842923 /nfs/dbraw/zinc/84/29/23/624842923.db2.gz IDWTZBPQVSKBBU-VQIMIIECSA-N 2 2 302.462 3.023 20 0 DGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209217 624844646 /nfs/dbraw/zinc/84/46/46/624844646.db2.gz QNWDFTFHNNFSQF-GOSISDBHSA-N 2 2 302.462 3.036 20 0 DGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209217 624844656 /nfs/dbraw/zinc/84/46/56/624844656.db2.gz QNWDFTFHNNFSQF-GOSISDBHSA-N 2 2 302.462 3.036 20 0 DGADLP Cc1cnc(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC000880568832 624979271 /nfs/dbraw/zinc/97/92/71/624979271.db2.gz DUQQYJCRAXBXNC-FQEVSTJZSA-N 2 2 320.440 3.469 20 0 DGADLP CC(C)CC[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568871 624979409 /nfs/dbraw/zinc/97/94/09/624979409.db2.gz FOVRGYKMRMIKAN-ROUUACIJSA-N 2 2 301.434 3.011 20 0 DGADLP O[C@H](CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880570705 624979946 /nfs/dbraw/zinc/97/99/46/624979946.db2.gz ZMPJFOXBSYWDMZ-WOJBJXKFSA-N 2 2 321.424 3.338 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012292 625896728 /nfs/dbraw/zinc/89/67/28/625896728.db2.gz AVDVHRRVAYUJAZ-UONOGXRCSA-N 2 2 300.450 3.097 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2n1C ZINC000883012292 625896730 /nfs/dbraw/zinc/89/67/30/625896730.db2.gz AVDVHRRVAYUJAZ-UONOGXRCSA-N 2 2 300.450 3.097 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000883084780 625922058 /nfs/dbraw/zinc/92/20/58/625922058.db2.gz BONCBECNRPIELV-GJZGRUSLSA-N 2 2 304.482 3.276 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000883084780 625922061 /nfs/dbraw/zinc/92/20/61/625922061.db2.gz BONCBECNRPIELV-GJZGRUSLSA-N 2 2 304.482 3.276 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1sccc1Cl ZINC000883175302 625953580 /nfs/dbraw/zinc/95/35/80/625953580.db2.gz DDYPFRGZUCEFKT-AWEZNQCLSA-N 2 2 316.898 3.289 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2ccc3c(c2)CCC[N@H+]3C)s1 ZINC000796335351 626039438 /nfs/dbraw/zinc/03/94/38/626039438.db2.gz XOJJZGRTVOPVOB-UHFFFAOYSA-N 2 2 316.474 3.199 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2ccc3c(c2)CCC[N@@H+]3C)s1 ZINC000796335351 626039439 /nfs/dbraw/zinc/03/94/39/626039439.db2.gz XOJJZGRTVOPVOB-UHFFFAOYSA-N 2 2 316.474 3.199 20 0 DGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc(Cl)n1 ZINC000797596028 626157565 /nfs/dbraw/zinc/15/75/65/626157565.db2.gz NYGDSSUUVOYWBX-AWEZNQCLSA-N 2 2 306.841 3.444 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000798928444 626260362 /nfs/dbraw/zinc/26/03/62/626260362.db2.gz AOQJFJOYDUDSMJ-RCCFBDPRSA-N 2 2 301.478 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000798928444 626260365 /nfs/dbraw/zinc/26/03/65/626260365.db2.gz AOQJFJOYDUDSMJ-RCCFBDPRSA-N 2 2 301.478 3.490 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322515 626647368 /nfs/dbraw/zinc/64/73/68/626647368.db2.gz JBEAVAXEVKTVHV-FLFBIERCSA-N 2 2 313.489 3.460 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322515 626647371 /nfs/dbraw/zinc/64/73/71/626647371.db2.gz JBEAVAXEVKTVHV-FLFBIERCSA-N 2 2 313.489 3.460 20 0 DGADLP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+]C[C@@H]1CCSC1 ZINC000883345181 626655565 /nfs/dbraw/zinc/65/55/65/626655565.db2.gz UNTDPLICDNCHNL-YJBOKZPZSA-N 2 2 317.502 3.136 20 0 DGADLP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+]C[C@@H]1CCSC1 ZINC000883345181 626655567 /nfs/dbraw/zinc/65/55/67/626655567.db2.gz UNTDPLICDNCHNL-YJBOKZPZSA-N 2 2 317.502 3.136 20 0 DGADLP CCCC[C@@H](COC)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387292 626668486 /nfs/dbraw/zinc/66/84/86/626668486.db2.gz VFQDJRGEWHYJBJ-ROUUACIJSA-N 2 2 301.434 3.419 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@@H]1CC ZINC000806154064 626702971 /nfs/dbraw/zinc/70/29/71/626702971.db2.gz BAPDCJKZJVEMFB-DOTOQJQBSA-N 2 2 317.477 3.438 20 0 DGADLP CC(C)SCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000806167643 626703776 /nfs/dbraw/zinc/70/37/76/626703776.db2.gz CRJSTSSIFJKPHE-UHFFFAOYSA-N 2 2 321.534 3.453 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](O)c1ccccc1 ZINC000808446903 626825680 /nfs/dbraw/zinc/82/56/80/626825680.db2.gz XLBJEPJWHIIUTC-CXAGYDPISA-N 2 2 313.426 3.146 20 0 DGADLP CC(C)C(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000808759635 626858929 /nfs/dbraw/zinc/85/89/29/626858929.db2.gz TUFCMEYVOPEVQQ-HXUWFJFHSA-N 2 2 314.473 3.200 20 0 DGADLP CC(C)C(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000808759635 626858931 /nfs/dbraw/zinc/85/89/31/626858931.db2.gz TUFCMEYVOPEVQQ-HXUWFJFHSA-N 2 2 314.473 3.200 20 0 DGADLP CC(C)C(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000808759635 626858934 /nfs/dbraw/zinc/85/89/34/626858934.db2.gz TUFCMEYVOPEVQQ-HXUWFJFHSA-N 2 2 314.473 3.200 20 0 DGADLP CC(C)C(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000808759635 626858937 /nfs/dbraw/zinc/85/89/37/626858937.db2.gz TUFCMEYVOPEVQQ-HXUWFJFHSA-N 2 2 314.473 3.200 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc3c(s2)CCC3)cc1 ZINC000809738151 626944010 /nfs/dbraw/zinc/94/40/10/626944010.db2.gz RHHITPLQUQYLMW-UHFFFAOYSA-N 2 2 315.486 3.325 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCC3)cc1 ZINC000809738151 626944012 /nfs/dbraw/zinc/94/40/12/626944012.db2.gz RHHITPLQUQYLMW-UHFFFAOYSA-N 2 2 315.486 3.325 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000810171641 626984599 /nfs/dbraw/zinc/98/45/99/626984599.db2.gz NYTUFNKVOSPITM-LBPRGKRZSA-N 2 2 321.856 3.015 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000885941417 627065460 /nfs/dbraw/zinc/06/54/60/627065460.db2.gz ALOGVEKUAYKEDT-HZPDHXFCSA-N 2 2 317.408 3.449 20 0 DGADLP c1ccc(NCCC[NH2+][C@H]2CCOC3(CCCCC3)C2)[nH+]c1 ZINC000886012797 627083893 /nfs/dbraw/zinc/08/38/93/627083893.db2.gz OUWZXFZZUYRFJI-INIZCTEOSA-N 2 2 303.450 3.355 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886122730 627108818 /nfs/dbraw/zinc/10/88/18/627108818.db2.gz IXMOHVWHCGTKPG-JVPBZIDWSA-N 2 2 311.429 3.481 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000886155745 627114051 /nfs/dbraw/zinc/11/40/51/627114051.db2.gz NLXNVXAPYPYOBV-KZNAEPCWSA-N 2 2 306.494 3.475 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CCO2 ZINC000886155745 627114053 /nfs/dbraw/zinc/11/40/53/627114053.db2.gz NLXNVXAPYPYOBV-KZNAEPCWSA-N 2 2 306.494 3.475 20 0 DGADLP COC(=O)c1cncc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000886534705 627158291 /nfs/dbraw/zinc/15/82/91/627158291.db2.gz MYGFMFARRHDTNT-OAHLLOKOSA-N 2 2 321.465 3.028 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)n1 ZINC000886625503 627176215 /nfs/dbraw/zinc/17/62/15/627176215.db2.gz SSTHBLPUHGRILP-IHPCNDPISA-N 2 2 324.472 3.046 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886625503 627176217 /nfs/dbraw/zinc/17/62/17/627176217.db2.gz SSTHBLPUHGRILP-IHPCNDPISA-N 2 2 324.472 3.046 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000886635066 627177413 /nfs/dbraw/zinc/17/74/13/627177413.db2.gz UPYXAKOFPVSPBF-KAXARAQCSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000886635066 627177414 /nfs/dbraw/zinc/17/74/14/627177414.db2.gz UPYXAKOFPVSPBF-KAXARAQCSA-N 3 2 319.537 3.390 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4ncccn4)C3)cc2)c[nH+]1 ZINC000886683128 627189032 /nfs/dbraw/zinc/18/90/32/627189032.db2.gz XRXWSWPGYCGSLX-QGZVFWFLSA-N 2 2 319.412 3.042 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4ncccn4)C3)cc2)c[nH+]1 ZINC000886683128 627189034 /nfs/dbraw/zinc/18/90/34/627189034.db2.gz XRXWSWPGYCGSLX-QGZVFWFLSA-N 2 2 319.412 3.042 20 0 DGADLP c1ccc2sc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC000886872469 627211877 /nfs/dbraw/zinc/21/18/77/627211877.db2.gz SWPSDUNXFYQBQI-KRWDZBQOSA-N 2 2 301.459 3.262 20 0 DGADLP c1ccc2sc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC000886872469 627211879 /nfs/dbraw/zinc/21/18/79/627211879.db2.gz SWPSDUNXFYQBQI-KRWDZBQOSA-N 2 2 301.459 3.262 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000812753319 627416924 /nfs/dbraw/zinc/41/69/24/627416924.db2.gz FSBDPKSNJCDHKD-VQTJNVASSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000812753319 627416925 /nfs/dbraw/zinc/41/69/25/627416925.db2.gz FSBDPKSNJCDHKD-VQTJNVASSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000925497260 627556505 /nfs/dbraw/zinc/55/65/05/627556505.db2.gz YGPDLYRPLCORDQ-AFAVFJNCSA-N 2 2 304.821 3.052 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Br)n1 ZINC000924526768 627644693 /nfs/dbraw/zinc/64/46/93/627644693.db2.gz MEVKALBIJKHVTE-NSHDSACASA-N 2 2 314.271 3.083 20 0 DGADLP COc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000924533840 627646062 /nfs/dbraw/zinc/64/60/62/627646062.db2.gz NBPAEFZDRHDZQN-IBGZPJMESA-N 2 2 322.412 3.056 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924543472 627647286 /nfs/dbraw/zinc/64/72/86/627647286.db2.gz QURQGRUZGLRAJG-FQEVSTJZSA-N 2 2 311.473 3.167 20 0 DGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000924580188 627651685 /nfs/dbraw/zinc/65/16/85/627651685.db2.gz PRZMIEKYQBPEMC-INIZCTEOSA-N 2 2 313.445 3.263 20 0 DGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000924580188 627651687 /nfs/dbraw/zinc/65/16/87/627651687.db2.gz PRZMIEKYQBPEMC-INIZCTEOSA-N 2 2 313.445 3.263 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924629510 627660177 /nfs/dbraw/zinc/66/01/77/627660177.db2.gz SWZUCIZYKNHWGB-INIZCTEOSA-N 2 2 307.869 3.432 20 0 DGADLP CCOCc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924639916 627661279 /nfs/dbraw/zinc/66/12/79/627661279.db2.gz UBSGMQSZZZJWQC-OALUTQOASA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924639916 627661280 /nfs/dbraw/zinc/66/12/80/627661280.db2.gz UBSGMQSZZZJWQC-OALUTQOASA-N 2 2 302.462 3.330 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924729504 627674273 /nfs/dbraw/zinc/67/42/73/627674273.db2.gz LMAOVLLEWUEFLN-SWKXRBFHSA-N 2 2 305.466 3.235 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c[nH+]1 ZINC000924768564 627677889 /nfs/dbraw/zinc/67/78/89/627677889.db2.gz HBHHFWJRQIAZDS-IEBWSBKVSA-N 2 2 311.429 3.167 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924890734 627690991 /nfs/dbraw/zinc/69/09/91/627690991.db2.gz WCPFKWZMULLYRK-OWCLPIDISA-N 2 2 319.493 3.146 20 0 DGADLP CCON1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000925060253 627704563 /nfs/dbraw/zinc/70/45/63/627704563.db2.gz NXUOZVCQCMHQQQ-MRXNPFEDSA-N 2 2 319.493 3.121 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1(Cl)CC1 ZINC000925150688 627713365 /nfs/dbraw/zinc/71/33/65/627713365.db2.gz YXCKYKDWQOQDMX-AWEZNQCLSA-N 2 2 321.896 3.471 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(C(C)(C)O)cc1 ZINC000925211131 627719090 /nfs/dbraw/zinc/71/90/90/627719090.db2.gz BPGFLWWCZXHQPG-KDOFPFPSSA-N 2 2 322.518 3.002 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]([NH3+])C1 ZINC000925496394 627742382 /nfs/dbraw/zinc/74/23/82/627742382.db2.gz YQWDWVKNUQLZGG-MJGOQNOKSA-N 3 2 315.505 3.147 20 0 DGADLP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925517872 627746502 /nfs/dbraw/zinc/74/65/02/627746502.db2.gz HISMRWLKEDNRPR-MRXNPFEDSA-N 2 2 313.470 3.227 20 0 DGADLP C[C@H]([NH3+])[C@H](NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000925531837 627749082 /nfs/dbraw/zinc/74/90/82/627749082.db2.gz BBXJVCWMILCIKU-JXFKEZNVSA-N 2 2 320.440 3.110 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925571172 627757070 /nfs/dbraw/zinc/75/70/70/627757070.db2.gz ZTRHZPHJQNKXRW-IBGZPJMESA-N 3 2 315.505 3.291 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925571172 627757071 /nfs/dbraw/zinc/75/70/71/627757071.db2.gz ZTRHZPHJQNKXRW-IBGZPJMESA-N 3 2 315.505 3.291 20 0 DGADLP FC(F)COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925591864 627759817 /nfs/dbraw/zinc/75/98/17/627759817.db2.gz UBOBLVYTZJXTQH-HNNXBMFYSA-N 2 2 310.388 3.095 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000925591543 627760038 /nfs/dbraw/zinc/76/00/38/627760038.db2.gz QWSPBNXLEZWZNI-KBPBESRZSA-N 2 2 307.869 3.357 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925605058 627761161 /nfs/dbraw/zinc/76/11/61/627761161.db2.gz ODOIQLLPQGQLJM-QIJZBDPFSA-N 2 2 304.409 3.016 20 0 DGADLP [NH3+]CCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000925605674 627761475 /nfs/dbraw/zinc/76/14/75/627761475.db2.gz FUFNPCFMCHYTDY-IBGZPJMESA-N 3 2 320.440 3.442 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c2ccccn2)c1 ZINC000925625443 627764523 /nfs/dbraw/zinc/76/45/23/627764523.db2.gz FLAAOQBRWMOEQZ-FHWLQOOXSA-N 2 2 307.441 3.339 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000925638795 627767037 /nfs/dbraw/zinc/76/70/37/627767037.db2.gz GDGGFFOHLXONPP-GXVGGZGZSA-N 2 2 324.468 3.495 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925638814 627767097 /nfs/dbraw/zinc/76/70/97/627767097.db2.gz HCGWHBLEEVZTCN-OALUTQOASA-N 2 2 310.441 3.117 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000925640841 627767882 /nfs/dbraw/zinc/76/78/82/627767882.db2.gz VCUSMMVCXZBHJD-AWEZNQCLSA-N 2 2 322.250 3.161 20 0 DGADLP c1ccc([C@H](Cc2ccccn2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925641998 627768209 /nfs/dbraw/zinc/76/82/09/627768209.db2.gz FHDGXHAGHDKQOI-RBUKOAKNSA-N 2 2 307.441 3.240 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000925647706 627769512 /nfs/dbraw/zinc/76/95/12/627769512.db2.gz FXDIWMQKCHYUBQ-UXHICEINSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000925647706 627769516 /nfs/dbraw/zinc/76/95/16/627769516.db2.gz FXDIWMQKCHYUBQ-UXHICEINSA-N 2 2 324.472 3.194 20 0 DGADLP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1cccc2ccccc21 ZINC000925713360 627780656 /nfs/dbraw/zinc/78/06/56/627780656.db2.gz VFVPPVNHISKQTL-OALUTQOASA-N 2 2 310.441 3.138 20 0 DGADLP Fc1ccc2onc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)c2c1 ZINC000925734740 627784661 /nfs/dbraw/zinc/78/46/61/627784661.db2.gz RDHWQMHIPZYKQX-JKSUJKDBSA-N 2 2 317.408 3.225 20 0 DGADLP [NH3+][C@@H]1C[C@H](N[C@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000925770286 627791802 /nfs/dbraw/zinc/79/18/02/627791802.db2.gz IUAFNNHDCOHNPQ-HSALFYBXSA-N 2 2 318.424 3.359 20 0 DGADLP Cc1cc(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]c1C ZINC000925769715 627792022 /nfs/dbraw/zinc/79/20/22/627792022.db2.gz POSZTLUEDDDUTO-HKUYNNGSSA-N 2 2 309.413 3.366 20 0 DGADLP [NH3+][C@@H]1C[C@@H](N[C@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000925770287 627792307 /nfs/dbraw/zinc/79/23/07/627792307.db2.gz IUAFNNHDCOHNPQ-VAMGGRTRSA-N 2 2 318.424 3.359 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2ccccc2n1 ZINC000925780349 627794349 /nfs/dbraw/zinc/79/43/49/627794349.db2.gz DXPSCBRMZZMIJA-GXTWGEPZSA-N 2 2 305.372 3.130 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925791866 627796120 /nfs/dbraw/zinc/79/61/20/627796120.db2.gz COXKZBYIODIHOF-ZBFHGGJFSA-N 2 2 320.502 3.218 20 0 DGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925791811 627796125 /nfs/dbraw/zinc/79/61/25/627796125.db2.gz CHEILBXZUYNDNA-DYVFJYSZSA-N 2 2 320.864 3.076 20 0 DGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925791861 627796557 /nfs/dbraw/zinc/79/65/57/627796557.db2.gz COXKZBYIODIHOF-GOEBONIOSA-N 2 2 320.502 3.218 20 0 DGADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C)c1 ZINC000925792724 627796607 /nfs/dbraw/zinc/79/66/07/627796607.db2.gz PRCFLBHJJSXYHD-QZTJIDSGSA-N 2 2 302.462 3.194 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793908 627796681 /nfs/dbraw/zinc/79/66/81/627796681.db2.gz JOQOHVHOQOTEJL-RTBURBONSA-N 2 2 316.489 3.448 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2ccccn2)c1 ZINC000925814280 627799172 /nfs/dbraw/zinc/79/91/72/627799172.db2.gz JWQMHRNBGKVVFM-XLIONFOSSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1(Cl)CC1 ZINC000925905948 627815836 /nfs/dbraw/zinc/81/58/36/627815836.db2.gz LXYOMYQIIVQUBZ-ZDUSSCGKSA-N 2 2 322.884 3.184 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288172 627875291 /nfs/dbraw/zinc/87/52/91/627875291.db2.gz RDADSXOEXFLGAM-APWZRJJASA-N 2 2 317.477 3.013 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288172 627875296 /nfs/dbraw/zinc/87/52/96/627875296.db2.gz RDADSXOEXFLGAM-APWZRJJASA-N 2 2 317.477 3.013 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368861 627885029 /nfs/dbraw/zinc/88/50/29/627885029.db2.gz GLAOHDCYKYLQRO-QFBILLFUSA-N 2 2 324.472 3.428 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnnc1 ZINC000926368861 627885032 /nfs/dbraw/zinc/88/50/32/627885032.db2.gz GLAOHDCYKYLQRO-QFBILLFUSA-N 2 2 324.472 3.428 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](CCO)c2ccccc2F)CC1 ZINC000926634146 627924639 /nfs/dbraw/zinc/92/46/39/627924639.db2.gz DPOUUTNLVBGRIS-IBGZPJMESA-N 2 2 322.468 3.349 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(C2CCC2)c1 ZINC000926676655 627931045 /nfs/dbraw/zinc/93/10/45/627931045.db2.gz VHUYHSJWMOREAV-JCGIZDLHSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C2CCC2)c1 ZINC000926676655 627931050 /nfs/dbraw/zinc/93/10/50/627931050.db2.gz VHUYHSJWMOREAV-JCGIZDLHSA-N 2 2 302.466 3.276 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926681934 627931984 /nfs/dbraw/zinc/93/19/84/627931984.db2.gz DLKAKSUPHWYHJO-NJAFHUGGSA-N 2 2 301.478 3.255 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926681934 627931985 /nfs/dbraw/zinc/93/19/85/627931985.db2.gz DLKAKSUPHWYHJO-NJAFHUGGSA-N 2 2 301.478 3.255 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2[nH]1 ZINC000926719973 627939937 /nfs/dbraw/zinc/93/99/37/627939937.db2.gz ZYIKQIKWWIGMNE-WMLDXEAASA-N 2 2 313.445 3.072 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000926753166 627946426 /nfs/dbraw/zinc/94/64/26/627946426.db2.gz FQFBZIIDHJIJIC-CJNGLKHVSA-N 2 2 308.853 3.233 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000926753166 627946430 /nfs/dbraw/zinc/94/64/30/627946430.db2.gz FQFBZIIDHJIJIC-CJNGLKHVSA-N 2 2 308.853 3.233 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000817894903 627954379 /nfs/dbraw/zinc/95/43/79/627954379.db2.gz SIRNPTTWCQUUFK-OLMNPRSZSA-N 2 2 304.478 3.138 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000817893272 627954506 /nfs/dbraw/zinc/95/45/06/627954506.db2.gz FUDBSBWLYNDKKK-NZVBXONLSA-N 2 2 317.260 3.147 20 0 DGADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC(C)C ZINC000817899091 627956316 /nfs/dbraw/zinc/95/63/16/627956316.db2.gz CKZXEUAJXZBVFJ-ZBFHGGJFSA-N 2 2 306.450 3.103 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817904093 627956737 /nfs/dbraw/zinc/95/67/37/627956737.db2.gz SXRGRNOQDYPWIO-ZFWWWQNUSA-N 2 2 318.440 3.113 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817904091 627957150 /nfs/dbraw/zinc/95/71/50/627957150.db2.gz SXRGRNOQDYPWIO-HIFRSBDPSA-N 2 2 318.440 3.113 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805011 627958425 /nfs/dbraw/zinc/95/84/25/627958425.db2.gz LVKBEQYDGLPODB-QYZOEREBSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805011 627958427 /nfs/dbraw/zinc/95/84/27/627958427.db2.gz LVKBEQYDGLPODB-QYZOEREBSA-N 2 2 308.510 3.434 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)ccc1SC(F)F ZINC000817951237 627972405 /nfs/dbraw/zinc/97/24/05/627972405.db2.gz CEXREYLNONTNNX-JQWIXIFHSA-N 2 2 316.417 3.413 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000817959460 627974854 /nfs/dbraw/zinc/97/48/54/627974854.db2.gz RNCHAOFBXNHKDL-DNVCBOLYSA-N 2 2 312.461 3.431 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cnn1-c1ccccc1 ZINC000817960494 627976156 /nfs/dbraw/zinc/97/61/56/627976156.db2.gz ZSNBGYRKLBWOJT-ZBFHGGJFSA-N 2 2 300.450 3.205 20 0 DGADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926918724 627980579 /nfs/dbraw/zinc/98/05/79/627980579.db2.gz IUWNRUHVTJHDLI-ATZDWAIDSA-N 2 2 311.429 3.482 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000926938922 627985531 /nfs/dbraw/zinc/98/55/31/627985531.db2.gz PXSAJUVZEMTULZ-XZKMEQPCSA-N 2 2 309.413 3.114 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000927111595 628017729 /nfs/dbraw/zinc/01/77/29/628017729.db2.gz HEOUAQADIKXWDD-VAMGGRTRSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000927111595 628017735 /nfs/dbraw/zinc/01/77/35/628017735.db2.gz HEOUAQADIKXWDD-VAMGGRTRSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000819014353 628078311 /nfs/dbraw/zinc/07/83/11/628078311.db2.gz ORZYTVOPKSEDLK-MRXNPFEDSA-N 2 2 304.478 3.401 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000819014452 628078374 /nfs/dbraw/zinc/07/83/74/628078374.db2.gz PWMLYHKWHKRRCF-APWZRJJASA-N 2 2 312.457 3.439 20 0 DGADLP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000819207945 628112738 /nfs/dbraw/zinc/11/27/38/628112738.db2.gz NZAZPYAIWSRTHD-FQEVSTJZSA-N 2 2 321.424 3.312 20 0 DGADLP CC(C)C[C@H](C[NH2+]C[C@@H](O)C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000819387508 628145446 /nfs/dbraw/zinc/14/54/46/628145446.db2.gz MRIGXEVTXNEHKU-KFKAGJAMSA-N 2 2 304.478 3.112 20 0 DGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000820809170 628298844 /nfs/dbraw/zinc/29/88/44/628298844.db2.gz VVAJKOAODYYSKD-FUHWJXTLSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000823944341 628612354 /nfs/dbraw/zinc/61/23/54/628612354.db2.gz XYZKBPAIFHBZPA-CQSZACIVSA-N 2 2 321.428 3.334 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)CC(C)C)CC1 ZINC000828441109 629054371 /nfs/dbraw/zinc/05/43/71/629054371.db2.gz XVKVYVDYSYKJBD-UHFFFAOYSA-N 2 2 304.434 3.239 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1C[C@H]1C ZINC000840727416 630352875 /nfs/dbraw/zinc/35/28/75/630352875.db2.gz KHFMEVVZYOPHHW-ZRGWGRIASA-N 2 2 301.478 3.356 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CC1(F)F ZINC000840878325 630370502 /nfs/dbraw/zinc/37/05/02/630370502.db2.gz DAHRUOPCJZXRSO-SUMWQHHRSA-N 2 2 323.431 3.355 20 0 DGADLP Fc1ccccc1COc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000841042601 630401294 /nfs/dbraw/zinc/40/12/94/630401294.db2.gz LOJCVMZVFSIUAY-KRWDZBQOSA-N 2 2 314.404 3.246 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058563 630403024 /nfs/dbraw/zinc/40/30/24/630403024.db2.gz SRRRXDYUFRUMBA-AWEZNQCLSA-N 2 2 318.852 3.066 20 0 DGADLP Fc1ccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1F ZINC000843358265 630649355 /nfs/dbraw/zinc/64/93/55/630649355.db2.gz JWONNDNZGJANSJ-SFHVURJKSA-N 2 2 324.415 3.118 20 0 DGADLP Fc1ccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1F ZINC000843358265 630649357 /nfs/dbraw/zinc/64/93/57/630649357.db2.gz JWONNDNZGJANSJ-SFHVURJKSA-N 2 2 324.415 3.118 20 0 DGADLP C[C@]1(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@]1(F)Cl ZINC000846037135 631207342 /nfs/dbraw/zinc/20/73/42/631207342.db2.gz YWNRHKIUOBFGKQ-JKSUJKDBSA-N 2 2 311.832 3.345 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000846104654 631209692 /nfs/dbraw/zinc/20/96/92/631209692.db2.gz JTVCEPWJJMNLKA-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000846104654 631209693 /nfs/dbraw/zinc/20/96/93/631209693.db2.gz JTVCEPWJJMNLKA-PKOBYXMFSA-N 2 2 316.489 3.039 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)c2)[nH+]c1C ZINC000846674308 631284100 /nfs/dbraw/zinc/28/41/00/631284100.db2.gz WOOCMVPGTHUQLD-IRXDYDNUSA-N 2 2 324.428 3.163 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000846805546 631311435 /nfs/dbraw/zinc/31/14/35/631311435.db2.gz YNJKBNITEAUVDX-KRWDZBQOSA-N 2 2 305.372 3.468 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000846805546 631311438 /nfs/dbraw/zinc/31/14/38/631311438.db2.gz YNJKBNITEAUVDX-KRWDZBQOSA-N 2 2 305.372 3.468 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000848568729 631696977 /nfs/dbraw/zinc/69/69/77/631696977.db2.gz PIJBCSSXXQJVLG-BMGDILEWSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000848568729 631696980 /nfs/dbraw/zinc/69/69/80/631696980.db2.gz PIJBCSSXXQJVLG-BMGDILEWSA-N 2 2 300.446 3.289 20 0 DGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])NC1CCCCC1)c1ccco1 ZINC000849026976 631811136 /nfs/dbraw/zinc/81/11/36/631811136.db2.gz PQERTAZWKDBTHJ-HIFRSBDPSA-N 2 2 306.454 3.155 20 0 DGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])N1CCCCCC1)c1ccco1 ZINC000849027015 631811663 /nfs/dbraw/zinc/81/16/63/631811663.db2.gz VIAALNJKMKNBMM-GJZGRUSLSA-N 2 2 306.454 3.109 20 0 DGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000849070539 631826498 /nfs/dbraw/zinc/82/64/98/631826498.db2.gz WTGGRHUJBSPUOF-HNNXBMFYSA-N 2 2 305.470 3.212 20 0 DGADLP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000849100829 631836069 /nfs/dbraw/zinc/83/60/69/631836069.db2.gz HKCYJCMQENRCNE-INIZCTEOSA-N 2 2 322.884 3.218 20 0 DGADLP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000849100829 631836071 /nfs/dbraw/zinc/83/60/71/631836071.db2.gz HKCYJCMQENRCNE-INIZCTEOSA-N 2 2 322.884 3.218 20 0 DGADLP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000850371886 632128902 /nfs/dbraw/zinc/12/89/02/632128902.db2.gz NAXVWOMGURLZQH-NHCUHLMSSA-N 2 2 322.452 3.419 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000850542724 632188251 /nfs/dbraw/zinc/18/82/51/632188251.db2.gz AKHIGNAJRHTWCM-JJXSEGSLSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562164 632194843 /nfs/dbraw/zinc/19/48/43/632194843.db2.gz RCXTZONSXOTUHQ-SJLPKXTDSA-N 2 2 324.472 3.363 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc[nH]1 ZINC000850562164 632194844 /nfs/dbraw/zinc/19/48/44/632194844.db2.gz RCXTZONSXOTUHQ-SJLPKXTDSA-N 2 2 324.472 3.363 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CC(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001036114170 660875709 /nfs/dbraw/zinc/87/57/09/660875709.db2.gz BIRNAVRVSMHJKT-YOEHRIQHSA-N 2 2 317.477 3.103 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794834495 661108386 /nfs/dbraw/zinc/10/83/86/661108386.db2.gz JGCOFIOXVRAATF-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794834495 661108388 /nfs/dbraw/zinc/10/83/88/661108388.db2.gz JGCOFIOXVRAATF-QAPCUYQASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794834489 661108440 /nfs/dbraw/zinc/10/84/40/661108440.db2.gz JGCOFIOXVRAATF-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794834489 661108441 /nfs/dbraw/zinc/10/84/41/661108441.db2.gz JGCOFIOXVRAATF-CRAIPNDOSA-N 2 2 313.420 3.221 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933376636 655709564 /nfs/dbraw/zinc/70/95/64/655709564.db2.gz UAHYOOPEGGPMAA-GOSISDBHSA-N 2 2 311.429 3.372 20 0 DGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccccc1 ZINC000161547630 655805063 /nfs/dbraw/zinc/80/50/63/655805063.db2.gz RXYCMZBPBVCYEU-UHFFFAOYSA-N 2 2 309.348 3.148 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(Cl)cn1 ZINC000066795602 656066334 /nfs/dbraw/zinc/06/63/34/656066334.db2.gz SQJUCLOKJKYAMH-UHFFFAOYSA-N 2 2 306.841 3.078 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(Cl)cn1 ZINC000066795602 656066339 /nfs/dbraw/zinc/06/63/39/656066339.db2.gz SQJUCLOKJKYAMH-UHFFFAOYSA-N 2 2 306.841 3.078 20 0 DGADLP Oc1ccc(Cl)c(F)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000190702623 656374474 /nfs/dbraw/zinc/37/44/74/656374474.db2.gz ISINHBKVXHXVFO-UHFFFAOYSA-N 2 2 300.805 3.150 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC000981235305 656655602 /nfs/dbraw/zinc/65/56/02/656655602.db2.gz OLTPPGGOEWGXBZ-IRXDYDNUSA-N 2 2 315.461 3.047 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000261561878 656910989 /nfs/dbraw/zinc/91/09/89/656910989.db2.gz GDXYOPUNYBXEFO-ZDUSSCGKSA-N 2 2 315.230 3.066 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000252538487 657587685 /nfs/dbraw/zinc/58/76/85/657587685.db2.gz APDKTKBJBZOTRP-ULQDDVLXSA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000252538487 657587692 /nfs/dbraw/zinc/58/76/92/657587692.db2.gz APDKTKBJBZOTRP-ULQDDVLXSA-N 2 2 308.853 3.244 20 0 DGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]C(C)C)C3)c(C)[nH+]1 ZINC000964454622 658279122 /nfs/dbraw/zinc/27/91/22/658279122.db2.gz KCGLCEDVACYKBK-UHFFFAOYSA-N 2 2 315.461 3.046 20 0 DGADLP Cc1sc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000227807090 659164393 /nfs/dbraw/zinc/16/43/93/659164393.db2.gz WEBLAYNBLRIAPV-VIFPVBQESA-N 2 2 314.252 3.194 20 0 DGADLP CCCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000062254713 659312182 /nfs/dbraw/zinc/31/21/82/659312182.db2.gz ZFNVHCUYDJSONQ-HNNXBMFYSA-N 2 2 317.433 3.106 20 0 DGADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CCn1cc[nH+]c1)CO2 ZINC000237831825 659943502 /nfs/dbraw/zinc/94/35/02/659943502.db2.gz VTIWQFPQATWJQQ-UHFFFAOYSA-N 2 2 324.211 3.256 20 0 DGADLP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000929422966 661305997 /nfs/dbraw/zinc/30/59/97/661305997.db2.gz YYRWYWDKWJRRMO-QGZVFWFLSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1onc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000929422966 661305999 /nfs/dbraw/zinc/30/59/99/661305999.db2.gz YYRWYWDKWJRRMO-QGZVFWFLSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000929422965 661306161 /nfs/dbraw/zinc/30/61/61/661306161.db2.gz YYRWYWDKWJRRMO-KRWDZBQOSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1onc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000929422965 661306165 /nfs/dbraw/zinc/30/61/65/661306165.db2.gz YYRWYWDKWJRRMO-KRWDZBQOSA-N 2 2 319.493 3.489 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2nncs2)CC1)CC(C)C ZINC000930179713 661374413 /nfs/dbraw/zinc/37/44/13/661374413.db2.gz OGHHFEJNKPDUKZ-UHFFFAOYSA-N 2 2 310.511 3.118 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2nncs2)CC1)CC(C)C ZINC000930179713 661374417 /nfs/dbraw/zinc/37/44/17/661374417.db2.gz OGHHFEJNKPDUKZ-UHFFFAOYSA-N 2 2 310.511 3.118 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](CCSc3ccccc3F)C[C@]2(C)C1 ZINC000931310554 661465849 /nfs/dbraw/zinc/46/58/49/661465849.db2.gz ZVKIMWPLRBUTKC-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](CCSc3ccccc3F)C[C@]2(C)C1 ZINC000931310554 661465850 /nfs/dbraw/zinc/46/58/50/661465850.db2.gz ZVKIMWPLRBUTKC-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](CCSc3ccccc3F)C[C@]2(C)C1 ZINC000931310554 661465851 /nfs/dbraw/zinc/46/58/51/661465851.db2.gz ZVKIMWPLRBUTKC-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](CCSc3ccccc3F)C[C@]2(C)C1 ZINC000931310554 661465852 /nfs/dbraw/zinc/46/58/52/661465852.db2.gz ZVKIMWPLRBUTKC-CALCHBBNSA-N 2 2 308.466 3.191 20 0 DGADLP CC[C@](O)(C[NH+]1CCC(CC)([NH+]2CCCC2)CC1)C(F)(F)F ZINC000931464127 661479365 /nfs/dbraw/zinc/47/93/65/661479365.db2.gz JBHGITYBNVBTLB-HNNXBMFYSA-N 2 2 322.415 3.030 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1nsc2ccccc21 ZINC000931717803 661501492 /nfs/dbraw/zinc/50/14/92/661501492.db2.gz CYRJTLNPUMKFLO-UONOGXRCSA-N 2 2 301.459 3.007 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1nsc2ccccc21 ZINC000931717803 661501495 /nfs/dbraw/zinc/50/14/95/661501495.db2.gz CYRJTLNPUMKFLO-UONOGXRCSA-N 2 2 301.459 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1nsc2ccccc21 ZINC000931717803 661501497 /nfs/dbraw/zinc/50/14/97/661501497.db2.gz CYRJTLNPUMKFLO-UONOGXRCSA-N 2 2 301.459 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1nsc2ccccc21 ZINC000931717803 661501499 /nfs/dbraw/zinc/50/14/99/661501499.db2.gz CYRJTLNPUMKFLO-UONOGXRCSA-N 2 2 301.459 3.007 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000931719694 661502070 /nfs/dbraw/zinc/50/20/70/661502070.db2.gz LUVBLIBJKFCPTM-ZSYWTGECSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000931719694 661502073 /nfs/dbraw/zinc/50/20/73/661502073.db2.gz LUVBLIBJKFCPTM-ZSYWTGECSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000931719694 661502075 /nfs/dbraw/zinc/50/20/75/661502075.db2.gz LUVBLIBJKFCPTM-ZSYWTGECSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000931719694 661502077 /nfs/dbraw/zinc/50/20/77/661502077.db2.gz LUVBLIBJKFCPTM-ZSYWTGECSA-N 2 2 300.446 3.075 20 0 DGADLP C[C@H]1COCC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000192664279 662107374 /nfs/dbraw/zinc/10/73/74/662107374.db2.gz QRZYPHSLOKFBTD-KXBFYZLASA-N 2 2 317.477 3.054 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426772 662283606 /nfs/dbraw/zinc/28/36/06/662283606.db2.gz IYIJKQKTEPGYFS-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426772 662283608 /nfs/dbraw/zinc/28/36/08/662283608.db2.gz IYIJKQKTEPGYFS-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000394370266 685222206 /nfs/dbraw/zinc/22/22/06/685222206.db2.gz ASHOPWSPFDRXFF-LQWHRVPQSA-N 2 2 324.468 3.432 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000394370266 685222211 /nfs/dbraw/zinc/22/22/11/685222211.db2.gz ASHOPWSPFDRXFF-LQWHRVPQSA-N 2 2 324.468 3.432 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000394370266 685222215 /nfs/dbraw/zinc/22/22/15/685222215.db2.gz ASHOPWSPFDRXFF-LQWHRVPQSA-N 2 2 324.468 3.432 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000394370266 685222221 /nfs/dbraw/zinc/22/22/21/685222221.db2.gz ASHOPWSPFDRXFF-LQWHRVPQSA-N 2 2 324.468 3.432 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CCC[NH2+]C1 ZINC001576525856 1191838550 /nfs/dbraw/zinc/83/85/50/1191838550.db2.gz JJXKIYXCCKPHJD-QGZVFWFLSA-N 2 2 317.458 3.305 20 0 DGADLP CCC[N@H+](Cc1ccccc1Br)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001577527436 1191907004 /nfs/dbraw/zinc/90/70/04/1191907004.db2.gz YCEQYYXQSHRLFC-ZBFHGGJFSA-N 2 2 323.278 3.271 20 0 DGADLP CCC[N@@H+](Cc1ccccc1Br)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001577527436 1191907005 /nfs/dbraw/zinc/90/70/05/1191907005.db2.gz YCEQYYXQSHRLFC-ZBFHGGJFSA-N 2 2 323.278 3.271 20 0 DGADLP CC[N@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1ccc(C)cc1 ZINC001577734285 1191914698 /nfs/dbraw/zinc/91/46/98/1191914698.db2.gz JMWSLPURZPVQTP-UHFFFAOYSA-N 2 2 301.459 3.119 20 0 DGADLP CC[N@@H+](Cc1nc2c(s1)C[NH2+]CC2)Cc1ccc(C)cc1 ZINC001577734285 1191914704 /nfs/dbraw/zinc/91/47/04/1191914704.db2.gz JMWSLPURZPVQTP-UHFFFAOYSA-N 2 2 301.459 3.119 20 0 DGADLP Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001620786855 1191962500 /nfs/dbraw/zinc/96/25/00/1191962500.db2.gz XXCZXPRAKBPGGE-QGZVFWFLSA-N 2 2 313.426 3.065 20 0 DGADLP COc1cccc(-c2csc(C[NH2+]CCC[NH2+]C(C)C)n2)c1 ZINC001579253450 1191970290 /nfs/dbraw/zinc/97/02/90/1191970290.db2.gz NXIZLZWBWYZGDI-UHFFFAOYSA-N 2 2 319.474 3.296 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001579650224 1191984628 /nfs/dbraw/zinc/98/46/28/1191984628.db2.gz DIFYMKCFWLKIBJ-GOSISDBHSA-N 2 2 314.433 3.335 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001620559688 1191988424 /nfs/dbraw/zinc/98/84/24/1191988424.db2.gz ZJHAIFQBHBGRKD-MRXNPFEDSA-N 2 2 306.498 3.444 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001620559688 1191988425 /nfs/dbraw/zinc/98/84/25/1191988425.db2.gz ZJHAIFQBHBGRKD-MRXNPFEDSA-N 2 2 306.498 3.444 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001620559688 1191988429 /nfs/dbraw/zinc/98/84/29/1191988429.db2.gz ZJHAIFQBHBGRKD-MRXNPFEDSA-N 2 2 306.498 3.444 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001620559688 1191988431 /nfs/dbraw/zinc/98/84/31/1191988431.db2.gz ZJHAIFQBHBGRKD-MRXNPFEDSA-N 2 2 306.498 3.444 20 0 DGADLP Clc1nccc2cc(C[NH2+][C@]34CCC[C@H]3C[NH2+]C4)sc21 ZINC001579939807 1191999957 /nfs/dbraw/zinc/99/99/57/1191999957.db2.gz CAWLZFZKEVPZEC-NHYWBVRUSA-N 2 2 307.850 3.181 20 0 DGADLP [NH3+]Cc1cc(Nc2[nH+]cnc3[nH]ccc32)cc(C(F)(F)F)c1 ZINC001580335178 1192021849 /nfs/dbraw/zinc/02/18/49/1192021849.db2.gz FHRQLWMTQKWYNF-UHFFFAOYSA-N 2 2 307.279 3.179 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC001580423207 1192025855 /nfs/dbraw/zinc/02/58/55/1192025855.db2.gz UGHWDMYHBPKLGO-AOOOYVTPSA-N 2 2 323.156 3.047 20 0 DGADLP COc1ccc(SCC[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC001621387706 1192083508 /nfs/dbraw/zinc/08/35/08/1192083508.db2.gz MRGOSRRLUHGQDS-UHFFFAOYSA-N 2 2 308.491 3.251 20 0 DGADLP COc1ccc(SCC[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC001621387706 1192083509 /nfs/dbraw/zinc/08/35/09/1192083509.db2.gz MRGOSRRLUHGQDS-UHFFFAOYSA-N 2 2 308.491 3.251 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC/C=C/c3ccccc3)[nH+]c2)C1 ZINC001620867078 1192487857 /nfs/dbraw/zinc/48/78/57/1192487857.db2.gz SWPZBHOMPKIQPF-MBNRZODZSA-N 2 2 322.456 3.347 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000394712328 1176752620 /nfs/dbraw/zinc/75/26/20/1176752620.db2.gz QWZNAKRUCFCMHN-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000394712328 1176752629 /nfs/dbraw/zinc/75/26/29/1176752629.db2.gz QWZNAKRUCFCMHN-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)[nH+]c1C ZINC001330970937 1178102375 /nfs/dbraw/zinc/10/23/75/1178102375.db2.gz PQDYGQPWNDYKGQ-GASCZTMLSA-N 2 2 312.417 3.150 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[NH2+]CC3CC3)cc2)[nH+]c1C ZINC001330980047 1178105045 /nfs/dbraw/zinc/10/50/45/1178105045.db2.gz ACTMBCWDKVYCAO-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP CC[C@@]1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CC[NH2+]C1 ZINC001331419199 1178209590 /nfs/dbraw/zinc/20/95/90/1178209590.db2.gz MDOGHGARXDNGJP-GOSISDBHSA-N 2 2 312.417 3.022 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001331688548 1178270205 /nfs/dbraw/zinc/27/02/05/1178270205.db2.gz BFMROVSBJCIPNB-QGZVFWFLSA-N 2 2 324.472 3.267 20 0 DGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC001332276180 1178410300 /nfs/dbraw/zinc/41/03/00/1178410300.db2.gz FCLVYDNOGBYGEP-VQIMIIECSA-N 2 2 317.477 3.056 20 0 DGADLP CCC[C@@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC001333001472 1178538321 /nfs/dbraw/zinc/53/83/21/1178538321.db2.gz YAWCKKGNRQNSLV-DLBZAZTESA-N 2 2 301.434 3.109 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)[nH+]c1C ZINC001333257203 1178577772 /nfs/dbraw/zinc/57/77/72/1178577772.db2.gz LBWMNQVMNDPDBP-DLBZAZTESA-N 2 2 324.428 3.163 20 0 DGADLP Cc1c[nH]c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001333307985 1178585234 /nfs/dbraw/zinc/58/52/34/1178585234.db2.gz SQRDODPVXCPWJO-YQQQUEKLSA-N 2 2 324.472 3.393 20 0 DGADLP Cc1c[nH]c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001333307985 1178585238 /nfs/dbraw/zinc/58/52/38/1178585238.db2.gz SQRDODPVXCPWJO-YQQQUEKLSA-N 2 2 324.472 3.393 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC001334124900 1178723774 /nfs/dbraw/zinc/72/37/74/1178723774.db2.gz ZCFIPUFJHNSNHR-UHFFFAOYSA-N 2 2 318.461 3.088 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC001334170910 1178731306 /nfs/dbraw/zinc/73/13/06/1178731306.db2.gz JWZYDVDGEMWKDT-MRXNPFEDSA-N 3 2 303.494 3.047 20 0 DGADLP O=c1[nH]ccc2oc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cc21 ZINC001335100790 1178852752 /nfs/dbraw/zinc/85/27/52/1178852752.db2.gz DPTQRVCBFZPBHA-UHFFFAOYSA-N 2 2 324.384 3.005 20 0 DGADLP C[NH2+]CCCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001341672419 1179046428 /nfs/dbraw/zinc/04/64/28/1179046428.db2.gz GRAKIQISFCSXBX-UHFFFAOYSA-N 2 2 300.406 3.022 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001342067419 1179098704 /nfs/dbraw/zinc/09/87/04/1179098704.db2.gz KILDWEOEYYSWND-QDMKHBRRSA-N 2 2 310.401 3.341 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc2)[nH+]c1C ZINC001342456038 1179142506 /nfs/dbraw/zinc/14/25/06/1179142506.db2.gz WOHSLOOFMWQAMW-OAHLLOKOSA-N 2 2 314.433 3.396 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CCCO2)CC1 ZINC001343470450 1179281996 /nfs/dbraw/zinc/28/19/96/1179281996.db2.gz JPGLSJKXJGNLSB-PQUAAJSLSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1cccc2c1cc[nH+]c2N1CCN(c2cc[nH+]cc2)CC1 ZINC001345721349 1179599253 /nfs/dbraw/zinc/59/92/53/1179599253.db2.gz IKWRTZRULRZSTM-UHFFFAOYSA-N 2 2 304.397 3.265 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083317 1179648921 /nfs/dbraw/zinc/64/89/21/1179648921.db2.gz GYAVKJAEKXWNFO-QAPCUYQASA-N 2 2 314.408 3.344 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc(C)[nH+]1 ZINC001346083317 1179648926 /nfs/dbraw/zinc/64/89/26/1179648926.db2.gz GYAVKJAEKXWNFO-QAPCUYQASA-N 2 2 314.408 3.344 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001349487409 1179910206 /nfs/dbraw/zinc/91/02/06/1179910206.db2.gz SMDHZNVFEKCDLC-XJKCOSOUSA-N 2 2 301.459 3.286 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316065 1193002615 /nfs/dbraw/zinc/00/26/15/1193002615.db2.gz WZUHLEGBCZLUEG-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316065 1193002618 /nfs/dbraw/zinc/00/26/18/1193002618.db2.gz WZUHLEGBCZLUEG-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316065 1193002619 /nfs/dbraw/zinc/00/26/19/1193002619.db2.gz WZUHLEGBCZLUEG-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2c(n1)CCCC2 ZINC001621316065 1193002623 /nfs/dbraw/zinc/00/26/23/1193002623.db2.gz WZUHLEGBCZLUEG-OXJNMPFZSA-N 2 2 313.489 3.185 20 0 DGADLP CCOc1cccc(F)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001621125043 1193009830 /nfs/dbraw/zinc/00/98/30/1193009830.db2.gz KLYFQKIAKMFNML-RHSMWYFYSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001621125043 1193009833 /nfs/dbraw/zinc/00/98/33/1193009833.db2.gz KLYFQKIAKMFNML-RHSMWYFYSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001621125043 1193009836 /nfs/dbraw/zinc/00/98/36/1193009836.db2.gz KLYFQKIAKMFNML-RHSMWYFYSA-N 2 2 306.425 3.141 20 0 DGADLP CCOc1cccc(F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001621125043 1193009838 /nfs/dbraw/zinc/00/98/38/1193009838.db2.gz KLYFQKIAKMFNML-RHSMWYFYSA-N 2 2 306.425 3.141 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc2)[nH+]c1C ZINC001353146222 1180474411 /nfs/dbraw/zinc/47/44/11/1180474411.db2.gz LCOTWDFZDGWRTK-MEDUHNTESA-N 2 2 314.433 3.251 20 0 DGADLP CC[C@H](C)C[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522507 1180760220 /nfs/dbraw/zinc/76/02/20/1180760220.db2.gz RFPJOMGTUCJMGC-CDEQTRAXSA-N 2 2 317.477 3.151 20 0 DGADLP COc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001355263821 1181023023 /nfs/dbraw/zinc/02/30/23/1181023023.db2.gz FDEMZGOLAHJASE-OAHLLOKOSA-N 2 2 302.418 3.288 20 0 DGADLP COc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001355263821 1181023028 /nfs/dbraw/zinc/02/30/28/1181023028.db2.gz FDEMZGOLAHJASE-OAHLLOKOSA-N 2 2 302.418 3.288 20 0 DGADLP COc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001355263820 1181023726 /nfs/dbraw/zinc/02/37/26/1181023726.db2.gz FDEMZGOLAHJASE-HNNXBMFYSA-N 2 2 302.418 3.288 20 0 DGADLP COc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001355263820 1181023730 /nfs/dbraw/zinc/02/37/30/1181023730.db2.gz FDEMZGOLAHJASE-HNNXBMFYSA-N 2 2 302.418 3.288 20 0 DGADLP CSc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)co1 ZINC001444201782 1182116132 /nfs/dbraw/zinc/11/61/32/1182116132.db2.gz BMQKHKFIIDTPIJ-UHFFFAOYSA-N 2 2 314.370 3.143 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)n1cc[nH+]c1 ZINC001452749831 1182299743 /nfs/dbraw/zinc/29/97/43/1182299743.db2.gz RSJTXYXQEBDDNC-AWEZNQCLSA-N 2 2 321.384 3.033 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460628650 1182702677 /nfs/dbraw/zinc/70/26/77/1182702677.db2.gz YDUPQSJMIIONJT-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460628650 1182702683 /nfs/dbraw/zinc/70/26/83/1182702683.db2.gz YDUPQSJMIIONJT-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1ccccc1OCCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001460958466 1182746085 /nfs/dbraw/zinc/74/60/85/1182746085.db2.gz FHCHYEPEXWHTOM-UHFFFAOYSA-N 2 2 313.445 3.377 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C ZINC001461234996 1182783077 /nfs/dbraw/zinc/78/30/77/1182783077.db2.gz UZXYULQZCUVXDF-GPMSIDNRSA-N 2 2 300.490 3.500 20 0 DGADLP Cc1nc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)sc1C ZINC001461250576 1182785927 /nfs/dbraw/zinc/78/59/27/1182785927.db2.gz DYGBHQVPMIRYEN-UHFFFAOYSA-N 2 2 304.444 3.297 20 0 DGADLP CC(C)n1ncc2c1[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC001461409290 1182807388 /nfs/dbraw/zinc/80/73/88/1182807388.db2.gz MKAVNAFKEMPMCM-MRXNPFEDSA-N 2 2 313.449 3.092 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001462261940 1182929875 /nfs/dbraw/zinc/92/98/75/1182929875.db2.gz VGDUJWJPJYSYPV-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001462261940 1182929879 /nfs/dbraw/zinc/92/98/79/1182929879.db2.gz VGDUJWJPJYSYPV-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)CO)C[N@@H+]1Cc1ccccc1 ZINC001462275129 1182932780 /nfs/dbraw/zinc/93/27/80/1182932780.db2.gz PSGZYKVPBXKHIG-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)CO)C[N@H+]1Cc1ccccc1 ZINC001462275129 1182932783 /nfs/dbraw/zinc/93/27/83/1182932783.db2.gz PSGZYKVPBXKHIG-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)COCc1ccccc1 ZINC001473217973 1183732053 /nfs/dbraw/zinc/73/20/53/1183732053.db2.gz UOWCATKMHXBVDM-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)COCc1ccccc1 ZINC001473217973 1183732056 /nfs/dbraw/zinc/73/20/56/1183732056.db2.gz UOWCATKMHXBVDM-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)COCc1ccccc1 ZINC001473217973 1183732060 /nfs/dbraw/zinc/73/20/60/1183732060.db2.gz UOWCATKMHXBVDM-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)COCc1ccccc1 ZINC001473217973 1183732063 /nfs/dbraw/zinc/73/20/63/1183732063.db2.gz UOWCATKMHXBVDM-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3([C@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245963 1183734833 /nfs/dbraw/zinc/73/48/33/1183734833.db2.gz ZEULANDMKCYLNQ-HZPDHXFCSA-N 2 2 303.450 3.329 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3([C@H]4CCCCO4)CCC3)C2)[nH]1 ZINC001473245963 1183734836 /nfs/dbraw/zinc/73/48/36/1183734836.db2.gz ZEULANDMKCYLNQ-HZPDHXFCSA-N 2 2 303.450 3.329 20 0 DGADLP C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473358279 1183748063 /nfs/dbraw/zinc/74/80/63/1183748063.db2.gz SVNNPAPNRULUJW-UZLBHIALSA-N 2 2 321.424 3.127 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716549 1183793489 /nfs/dbraw/zinc/79/34/89/1183793489.db2.gz HOSZVOSHROXUNU-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716549 1183793491 /nfs/dbraw/zinc/79/34/91/1183793491.db2.gz HOSZVOSHROXUNU-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP CCO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001473927044 1183830285 /nfs/dbraw/zinc/83/02/85/1183830285.db2.gz VDVRSKFXLPGOCP-RBUKOAKNSA-N 2 2 313.445 3.369 20 0 DGADLP c1[nH+]cn2cc(C[NH2+]Cc3csc(-c4ccccn4)n3)ccc12 ZINC001474173950 1183877641 /nfs/dbraw/zinc/87/76/41/1183877641.db2.gz GADRBGVGPJVEJC-UHFFFAOYSA-N 2 2 321.409 3.143 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC001474195182 1183879787 /nfs/dbraw/zinc/87/97/87/1183879787.db2.gz NGJXRJMGORJLGR-JLSDUUJJSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC001474195182 1183879791 /nfs/dbraw/zinc/87/97/91/1183879791.db2.gz NGJXRJMGORJLGR-JLSDUUJJSA-N 2 2 300.446 3.117 20 0 DGADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001474510459 1183932842 /nfs/dbraw/zinc/93/28/42/1183932842.db2.gz ISOCLMNHNYTCNO-WFASDCNBSA-N 2 2 313.283 3.310 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC001474546699 1183938295 /nfs/dbraw/zinc/93/82/95/1183938295.db2.gz POQUHQHSVYGWCD-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC001474546699 1183938298 /nfs/dbraw/zinc/93/82/98/1183938298.db2.gz POQUHQHSVYGWCD-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC001474546699 1183938302 /nfs/dbraw/zinc/93/83/02/1183938302.db2.gz POQUHQHSVYGWCD-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC001474546699 1183938307 /nfs/dbraw/zinc/93/83/07/1183938307.db2.gz POQUHQHSVYGWCD-GOSISDBHSA-N 2 2 306.425 3.142 20 0 DGADLP C[NH+](C)Cc1ccc(NCc2ccc[nH+]c2N)cc1C(F)(F)F ZINC001474706765 1183965609 /nfs/dbraw/zinc/96/56/09/1183965609.db2.gz RIHFVLHHPHUEIN-UHFFFAOYSA-N 2 2 324.350 3.356 20 0 DGADLP CCC[NH2+][C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001506377817 1186218259 /nfs/dbraw/zinc/21/82/59/1186218259.db2.gz DXADUHJZJLTSTH-OAHLLOKOSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001612484426 1193453092 /nfs/dbraw/zinc/45/30/92/1193453092.db2.gz RDCPTAJUHDBYGB-AWEZNQCLSA-N 2 2 310.445 3.113 20 0 DGADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001612484426 1193453095 /nfs/dbraw/zinc/45/30/95/1193453095.db2.gz RDCPTAJUHDBYGB-AWEZNQCLSA-N 2 2 310.445 3.113 20 0 DGADLP CCNc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC001617103053 1193557738 /nfs/dbraw/zinc/55/77/38/1193557738.db2.gz JBCYSKRLCMDAAI-KBPBESRZSA-N 2 2 322.522 3.318 20 0 DGADLP CCNc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC001617103053 1193557741 /nfs/dbraw/zinc/55/77/41/1193557741.db2.gz JBCYSKRLCMDAAI-KBPBESRZSA-N 2 2 322.522 3.318 20 0 DGADLP Cc1cc(F)cc(N2CCC(OCC[NH+]3CCCCC3)CC2)[nH+]1 ZINC001548512179 1188457792 /nfs/dbraw/zinc/45/77/92/1188457792.db2.gz YTQXSKLIHITGJC-UHFFFAOYSA-N 2 2 321.440 3.000 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1csc(C3CCCC3)n1)C2 ZINC001549114957 1188495970 /nfs/dbraw/zinc/49/59/70/1188495970.db2.gz DEGGHLBPXZJSOJ-PBHICJAKSA-N 2 2 305.491 3.362 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1csc(C3CCCC3)n1)C2 ZINC001549114957 1188495977 /nfs/dbraw/zinc/49/59/77/1188495977.db2.gz DEGGHLBPXZJSOJ-PBHICJAKSA-N 2 2 305.491 3.362 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549117674 1188496548 /nfs/dbraw/zinc/49/65/48/1188496548.db2.gz UBZLWZQAQOPSOV-RHSMWYFYSA-N 2 2 307.507 3.293 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549117674 1188496551 /nfs/dbraw/zinc/49/65/51/1188496551.db2.gz UBZLWZQAQOPSOV-RHSMWYFYSA-N 2 2 307.507 3.293 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC001549547018 1188526195 /nfs/dbraw/zinc/52/61/95/1188526195.db2.gz PRUIALGKAYNFHX-GBESFXJTSA-N 2 2 314.473 3.022 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC001549922389 1188559634 /nfs/dbraw/zinc/55/96/34/1188559634.db2.gz MVVUZVMKCNRIPG-KKBVYLPWSA-N 2 2 308.853 3.290 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2)[nH+]c1C ZINC001550217167 1188594970 /nfs/dbraw/zinc/59/49/70/1188594970.db2.gz BSUPGUOOXKMKJV-HOCLYGCPSA-N 2 2 312.417 3.007 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001550219609 1188595005 /nfs/dbraw/zinc/59/50/05/1188595005.db2.gz YGAFAEGKIGAGCG-AWEZNQCLSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@]34CCC[C@H]3C[NH2+]C4)cc2)[nH+]c1C ZINC001550217975 1188595115 /nfs/dbraw/zinc/59/51/15/1188595115.db2.gz HUIRHUMVLTZISR-KXBFYZLASA-N 2 2 324.428 3.022 20 0 DGADLP C[C@H](C1CCCCC1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515885 1193571947 /nfs/dbraw/zinc/57/19/47/1193571947.db2.gz NKXXIQCGOPYJBU-YLJYHZDGSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@H](C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515885 1193571949 /nfs/dbraw/zinc/57/19/49/1193571949.db2.gz NKXXIQCGOPYJBU-YLJYHZDGSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001617515885 1193571952 /nfs/dbraw/zinc/57/19/52/1193571952.db2.gz NKXXIQCGOPYJBU-YLJYHZDGSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001617515885 1193571953 /nfs/dbraw/zinc/57/19/53/1193571953.db2.gz NKXXIQCGOPYJBU-YLJYHZDGSA-N 2 2 318.505 3.380 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])ccc1F ZINC001551378305 1188731988 /nfs/dbraw/zinc/73/19/88/1188731988.db2.gz OGHQUSLAKFQKIJ-LSKLOWJMSA-N 2 2 300.377 3.110 20 0 DGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001551401544 1188738442 /nfs/dbraw/zinc/73/84/42/1188738442.db2.gz INNNUFBSZLRARP-CVEARBPZSA-N 2 2 304.340 3.002 20 0 DGADLP Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(C)[nH+]1 ZINC001552307162 1188834254 /nfs/dbraw/zinc/83/42/54/1188834254.db2.gz XOCWHHLTJCXUDG-RTBURBONSA-N 2 2 323.440 3.008 20 0 DGADLP Cc1cc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(C)[nH+]1 ZINC001552307162 1188834256 /nfs/dbraw/zinc/83/42/56/1188834256.db2.gz XOCWHHLTJCXUDG-RTBURBONSA-N 2 2 323.440 3.008 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(C(F)(F)F)s1 ZINC001553291229 1188913710 /nfs/dbraw/zinc/91/37/10/1188913710.db2.gz GSYLTTVDPGZUJS-WDDLLCHVSA-N 2 2 316.392 3.414 20 0 DGADLP CCCN(CC[NH+](CC)CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001559161936 1189176723 /nfs/dbraw/zinc/17/67/23/1189176723.db2.gz QPKOKBJKGKWCBT-UHFFFAOYSA-N 2 2 304.482 3.222 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001560155143 1189285841 /nfs/dbraw/zinc/28/58/41/1189285841.db2.gz CFHWRGFIJBKKGR-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001560155143 1189285845 /nfs/dbraw/zinc/28/58/45/1189285845.db2.gz CFHWRGFIJBKKGR-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234583 1189296148 /nfs/dbraw/zinc/29/61/48/1189296148.db2.gz JBNWDIPHBVFJMJ-HUUCEWRRSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234583 1189296151 /nfs/dbraw/zinc/29/61/51/1189296151.db2.gz JBNWDIPHBVFJMJ-HUUCEWRRSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCCC3)C[C@H](C)O1 ZINC001560255279 1189299841 /nfs/dbraw/zinc/29/98/41/1189299841.db2.gz IUFQCYXMKLVREG-IRXDYDNUSA-N 2 2 316.489 3.154 20 0 DGADLP CCCn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)n1 ZINC001560292099 1189305984 /nfs/dbraw/zinc/30/59/84/1189305984.db2.gz XTSKXVILEKHSJY-UHFFFAOYSA-N 2 2 309.417 3.077 20 0 DGADLP CCc1cccc2cc(C[NH2+][C@@H](CO)CC[NH+](CC)CC)oc21 ZINC001560520679 1189335365 /nfs/dbraw/zinc/33/53/65/1189335365.db2.gz DKKSKCWAYDCILI-QGZVFWFLSA-N 2 2 318.461 3.178 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001560546810 1189339218 /nfs/dbraw/zinc/33/92/18/1189339218.db2.gz JMPCLVLOASXDFA-JTQLQIEISA-N 2 2 305.249 3.432 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1C ZINC001560555637 1189339921 /nfs/dbraw/zinc/33/99/21/1189339921.db2.gz YIJLYYNKKUPMGP-RURPWVQCSA-N 2 2 316.489 3.060 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1C ZINC001560555637 1189339925 /nfs/dbraw/zinc/33/99/25/1189339925.db2.gz YIJLYYNKKUPMGP-RURPWVQCSA-N 2 2 316.489 3.060 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001560624479 1189351666 /nfs/dbraw/zinc/35/16/66/1189351666.db2.gz PLIOHGOZINPVPS-OAHLLOKOSA-N 2 2 300.450 3.287 20 0 DGADLP CCC[N@@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945560 1189408432 /nfs/dbraw/zinc/40/84/32/1189408432.db2.gz DENZTPSBXJZNHV-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945560 1189408434 /nfs/dbraw/zinc/40/84/34/1189408434.db2.gz DENZTPSBXJZNHV-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001560945560 1189408438 /nfs/dbraw/zinc/40/84/38/1189408438.db2.gz DENZTPSBXJZNHV-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001560945560 1189408440 /nfs/dbraw/zinc/40/84/40/1189408440.db2.gz DENZTPSBXJZNHV-HOJAQTOUSA-N 2 2 315.505 3.113 20 0 DGADLP COc1cc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)ccc1F ZINC001561052722 1189428286 /nfs/dbraw/zinc/42/82/86/1189428286.db2.gz JWQDOUZEVCCADO-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP COc1cc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)ccc1F ZINC001561052722 1189428292 /nfs/dbraw/zinc/42/82/92/1189428292.db2.gz JWQDOUZEVCCADO-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP COc1cc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)ccc1F ZINC001561052722 1189428294 /nfs/dbraw/zinc/42/82/94/1189428294.db2.gz JWQDOUZEVCCADO-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP COc1cc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)ccc1F ZINC001561052722 1189428298 /nfs/dbraw/zinc/42/82/98/1189428298.db2.gz JWQDOUZEVCCADO-KDURUIRLSA-N 2 2 318.436 3.142 20 0 DGADLP CC/C=C\CC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568658514 1190574743 /nfs/dbraw/zinc/57/47/43/1190574743.db2.gz IVQHBCBCJICCLO-ZPIQOJFGSA-N 2 2 317.477 3.461 20 0 DGADLP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569064448 1190615346 /nfs/dbraw/zinc/61/53/46/1190615346.db2.gz GJIUERPKMCPWHE-ZDUSSCGKSA-N 2 2 316.449 3.097 20 0 DGADLP C[N@H+](C[C@H]1CC1(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454892 1193770236 /nfs/dbraw/zinc/77/02/36/1193770236.db2.gz GVFFMZRCAPFMJS-MOPGFXCFSA-N 2 2 316.489 3.255 20 0 DGADLP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001620454892 1193770239 /nfs/dbraw/zinc/77/02/39/1193770239.db2.gz GVFFMZRCAPFMJS-MOPGFXCFSA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@H]1CC1(C)C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001620454892 1193770240 /nfs/dbraw/zinc/77/02/40/1193770240.db2.gz GVFFMZRCAPFMJS-MOPGFXCFSA-N 2 2 316.489 3.255 20 0 DGADLP C[NH+](C[C@H]1CC1(C)C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001620454892 1193770244 /nfs/dbraw/zinc/77/02/44/1193770244.db2.gz GVFFMZRCAPFMJS-MOPGFXCFSA-N 2 2 316.489 3.255 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001620498038 1193772677 /nfs/dbraw/zinc/77/26/77/1193772677.db2.gz DNHPHRLGXWZKIN-QGZVFWFLSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001620498038 1193772679 /nfs/dbraw/zinc/77/26/79/1193772679.db2.gz DNHPHRLGXWZKIN-QGZVFWFLSA-N 2 2 305.466 3.323 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OC ZINC001620696595 1193792627 /nfs/dbraw/zinc/79/26/27/1193792627.db2.gz FDIWEOCFYDZSRP-HNNXBMFYSA-N 2 2 317.433 3.249 20 0 DGADLP Cn1cnc2cc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)ccc21 ZINC001621071073 1193798213 /nfs/dbraw/zinc/79/82/13/1193798213.db2.gz XZQSVIIYGUSKEL-UHFFFAOYSA-N 2 2 323.425 3.110 20 0 DGADLP CCCn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125861 1193806049 /nfs/dbraw/zinc/80/60/49/1193806049.db2.gz GOPOMUNEUMCCTA-VQIMIIECSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125861 1193806051 /nfs/dbraw/zinc/80/60/51/1193806051.db2.gz GOPOMUNEUMCCTA-VQIMIIECSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC001621125861 1193806056 /nfs/dbraw/zinc/80/60/56/1193806056.db2.gz GOPOMUNEUMCCTA-VQIMIIECSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC001621125861 1193806060 /nfs/dbraw/zinc/80/60/60/1193806060.db2.gz GOPOMUNEUMCCTA-VQIMIIECSA-N 2 2 316.493 3.050 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001633803018 1194456786 /nfs/dbraw/zinc/45/67/86/1194456786.db2.gz RBOUWRYIRJGJAJ-UONOGXRCSA-N 2 2 324.409 3.379 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000052050025 1194674220 /nfs/dbraw/zinc/67/42/20/1194674220.db2.gz PNULXUJWYPXZBD-UHFFFAOYSA-N 2 2 308.441 3.401 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCCOc2ccc(OC)cc2)CC1 ZINC000052050034 1194674586 /nfs/dbraw/zinc/67/45/86/1194674586.db2.gz HMRRYNLEVJUPIS-UHFFFAOYSA-N 2 2 320.477 3.270 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc(C)[nH+]1 ZINC001639439904 1194766147 /nfs/dbraw/zinc/76/61/47/1194766147.db2.gz DQKRGGNAYAWXOO-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc(C)[nH+]1 ZINC001639439904 1194766150 /nfs/dbraw/zinc/76/61/50/1194766150.db2.gz DQKRGGNAYAWXOO-UHFFFAOYSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc(CC)[nH+]1 ZINC001640213012 1194802017 /nfs/dbraw/zinc/80/20/17/1194802017.db2.gz HKHQGPVWCDKWOE-HNNXBMFYSA-N 2 2 302.466 3.135 20 0 DGADLP CCc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc(CC)[nH+]1 ZINC001640213012 1194802018 /nfs/dbraw/zinc/80/20/18/1194802018.db2.gz HKHQGPVWCDKWOE-HNNXBMFYSA-N 2 2 302.466 3.135 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381444 1195104912 /nfs/dbraw/zinc/10/49/12/1195104912.db2.gz CPRPWOWIUVDKHZ-HZMVEIRTSA-N 2 2 306.400 3.204 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381444 1195104916 /nfs/dbraw/zinc/10/49/16/1195104916.db2.gz CPRPWOWIUVDKHZ-HZMVEIRTSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381444 1195104917 /nfs/dbraw/zinc/10/49/17/1195104917.db2.gz CPRPWOWIUVDKHZ-HZMVEIRTSA-N 2 2 306.400 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001644381444 1195104922 /nfs/dbraw/zinc/10/49/22/1195104922.db2.gz CPRPWOWIUVDKHZ-HZMVEIRTSA-N 2 2 306.400 3.204 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)c1 ZINC001644555611 1195117106 /nfs/dbraw/zinc/11/71/06/1195117106.db2.gz LEZYPZQQQFRGPT-MRXNPFEDSA-N 2 2 317.477 3.429 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC001647035183 1195242042 /nfs/dbraw/zinc/24/20/42/1195242042.db2.gz FZGNREMWUROAFA-STQMWFEESA-N 2 2 316.367 3.390 20 0 DGADLP CCC[N@H+](CCOCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001648597926 1195311935 /nfs/dbraw/zinc/31/19/35/1195311935.db2.gz GFQHMYQLESUIFJ-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP CCC[N@@H+](CCOCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001648597926 1195311940 /nfs/dbraw/zinc/31/19/40/1195311940.db2.gz GFQHMYQLESUIFJ-UHFFFAOYSA-N 2 2 304.478 3.400 20 0 DGADLP CCOC(=O)CCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647036 1195317432 /nfs/dbraw/zinc/31/74/32/1195317432.db2.gz HHUQZROALXDCFP-HNNXBMFYSA-N 2 2 321.465 3.161 20 0 DGADLP CCOC(=O)CCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647036 1195317435 /nfs/dbraw/zinc/31/74/35/1195317435.db2.gz HHUQZROALXDCFP-HNNXBMFYSA-N 2 2 321.465 3.161 20 0 DGADLP COC(=O)c1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC001649412127 1195334293 /nfs/dbraw/zinc/33/42/93/1195334293.db2.gz HCERLSLCGHGOSR-INIZCTEOSA-N 2 2 324.440 3.068 20 0 DGADLP CCc1nc(N(CC[NH+](C)C)Cc2cccc(C)c2)cc(C)[nH+]1 ZINC001650842674 1195388059 /nfs/dbraw/zinc/38/80/59/1195388059.db2.gz AJSGFKCKLYAAFY-UHFFFAOYSA-N 2 2 312.461 3.224 20 0 DGADLP c1[nH+]cn2cc(C[NH2+]Cc3coc(-c4ccccc4)n3)ccc12 ZINC001651193968 1195425101 /nfs/dbraw/zinc/42/51/01/1195425101.db2.gz DPCRPZUQKLMJDL-UHFFFAOYSA-N 2 2 304.353 3.279 20 0 DGADLP CCc1nc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc(C)[nH+]1 ZINC001652317704 1195580671 /nfs/dbraw/zinc/58/06/71/1195580671.db2.gz CXWIEQAYHWMCAQ-CVEARBPZSA-N 2 2 302.466 3.047 20 0 DGADLP CCCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000067693874 1195659634 /nfs/dbraw/zinc/65/96/34/1195659634.db2.gz BOUCEQAZWSOCME-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CCCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000067693874 1195659637 /nfs/dbraw/zinc/65/96/37/1195659637.db2.gz BOUCEQAZWSOCME-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](CCCc1ccccc1Cl)CC2 ZINC001654568086 1195818286 /nfs/dbraw/zinc/81/82/86/1195818286.db2.gz LKMHVWLAWHMWLC-UHFFFAOYSA-N 2 2 301.821 3.308 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](CCCc1ccccc1Cl)CC2 ZINC001654568086 1195818289 /nfs/dbraw/zinc/81/82/89/1195818289.db2.gz LKMHVWLAWHMWLC-UHFFFAOYSA-N 2 2 301.821 3.308 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001655172778 1195885979 /nfs/dbraw/zinc/88/59/79/1195885979.db2.gz JUSYNFRCXIQJHN-DLBZAZTESA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001655172778 1195885984 /nfs/dbraw/zinc/88/59/84/1195885984.db2.gz JUSYNFRCXIQJHN-DLBZAZTESA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001655234824 1195894823 /nfs/dbraw/zinc/89/48/23/1195894823.db2.gz UFJJBSIZVAKXRU-BGYRXZFFSA-N 2 2 316.489 3.495 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001655234824 1195894826 /nfs/dbraw/zinc/89/48/26/1195894826.db2.gz UFJJBSIZVAKXRU-BGYRXZFFSA-N 2 2 316.489 3.495 20 0 DGADLP CC(C)COc1cccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001655234824 1195894828 /nfs/dbraw/zinc/89/48/28/1195894828.db2.gz UFJJBSIZVAKXRU-BGYRXZFFSA-N 2 2 316.489 3.495 20 0 DGADLP CC(C)COc1cccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001655234824 1195894831 /nfs/dbraw/zinc/89/48/31/1195894831.db2.gz UFJJBSIZVAKXRU-BGYRXZFFSA-N 2 2 316.489 3.495 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001655261765 1195897212 /nfs/dbraw/zinc/89/72/12/1195897212.db2.gz UZXXMYCSWHJPCT-HNNXBMFYSA-N 2 2 312.461 3.191 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001655261765 1195897216 /nfs/dbraw/zinc/89/72/16/1195897216.db2.gz UZXXMYCSWHJPCT-HNNXBMFYSA-N 2 2 312.461 3.191 20 0 DGADLP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001655410800 1195914275 /nfs/dbraw/zinc/91/42/75/1195914275.db2.gz XPXDVNVJOOWSQZ-HOTGVXAUSA-N 2 2 317.408 3.306 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCSC1 ZINC001655745544 1195958845 /nfs/dbraw/zinc/95/88/45/1195958845.db2.gz GHCRWOUWWOSJMS-QGZUEGPWSA-N 2 2 312.429 3.005 20 0 DGADLP Cc1cccc(C)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001655947658 1195981249 /nfs/dbraw/zinc/98/12/49/1195981249.db2.gz KSKJWUQCSAWGIF-GOSISDBHSA-N 2 2 324.472 3.451 20 0 DGADLP Cc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC001655996462 1195985728 /nfs/dbraw/zinc/98/57/28/1195985728.db2.gz RDBRQAJACQHFNI-GJZGRUSLSA-N 2 2 310.869 3.237 20 0 DGADLP COc1ccc(F)cc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001656059510 1195993575 /nfs/dbraw/zinc/99/35/75/1195993575.db2.gz IEUQHFRSWJXARX-GJZGRUSLSA-N 2 2 308.441 3.292 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)CC2 ZINC001656245746 1196023286 /nfs/dbraw/zinc/02/32/86/1196023286.db2.gz VWHFWAZYUBANFB-LPHOPBHVSA-N 2 2 316.489 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC001656506480 1196045329 /nfs/dbraw/zinc/04/53/29/1196045329.db2.gz PFDKOPJQGGILHM-RTBURBONSA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC001656506480 1196045330 /nfs/dbraw/zinc/04/53/30/1196045330.db2.gz PFDKOPJQGGILHM-RTBURBONSA-N 2 2 311.429 3.406 20 0 DGADLP Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001656698222 1196062944 /nfs/dbraw/zinc/06/29/44/1196062944.db2.gz KDYKBQHTPCKLOB-QGZVFWFLSA-N 2 2 313.426 3.065 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)s2)o1 ZINC001656743757 1196067118 /nfs/dbraw/zinc/06/71/18/1196067118.db2.gz UINIWRQAQFPGSX-NSHDSACASA-N 2 2 302.403 3.086 20 0 DGADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001656751897 1196067968 /nfs/dbraw/zinc/06/79/68/1196067968.db2.gz RJCQKHFKEXNUQJ-SFHVURJKSA-N 2 2 302.462 3.364 20 0 DGADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001656751897 1196067970 /nfs/dbraw/zinc/06/79/70/1196067970.db2.gz RJCQKHFKEXNUQJ-SFHVURJKSA-N 2 2 302.462 3.364 20 0 DGADLP Fc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cnc1Cl ZINC001657018799 1196093737 /nfs/dbraw/zinc/09/37/37/1196093737.db2.gz XXRZKTOVZSGJFX-UHFFFAOYSA-N 2 2 316.767 3.350 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226810 1196121276 /nfs/dbraw/zinc/12/12/76/1196121276.db2.gz GVVGJGDHHAPQME-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2c(n1)CCCC2 ZINC001657226810 1196121279 /nfs/dbraw/zinc/12/12/79/1196121279.db2.gz GVVGJGDHHAPQME-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226810 1196121281 /nfs/dbraw/zinc/12/12/81/1196121281.db2.gz GVVGJGDHHAPQME-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2c(n1)CCCC2 ZINC001657226810 1196121287 /nfs/dbraw/zinc/12/12/87/1196121287.db2.gz GVVGJGDHHAPQME-UZLBHIALSA-N 2 2 313.489 3.185 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnsc2)[C@@H]1c1cccs1 ZINC001657279531 1196126327 /nfs/dbraw/zinc/12/63/27/1196126327.db2.gz ZWACNOWMPSXRAF-DZGCQCFKSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnsc2)[C@@H]1c1cccs1 ZINC001657279531 1196126330 /nfs/dbraw/zinc/12/63/30/1196126330.db2.gz ZWACNOWMPSXRAF-DZGCQCFKSA-N 2 2 307.488 3.377 20 0 DGADLP CCO[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001657286289 1196126565 /nfs/dbraw/zinc/12/65/65/1196126565.db2.gz NZWUVQFSFDHQRL-MOPGFXCFSA-N 2 2 316.489 3.023 20 0 DGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC001657917850 1196193280 /nfs/dbraw/zinc/19/32/80/1196193280.db2.gz ICWADTBBWRYOML-SJLPKXTDSA-N 2 2 316.489 3.338 20 0 DGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC001657917850 1196193283 /nfs/dbraw/zinc/19/32/83/1196193283.db2.gz ICWADTBBWRYOML-SJLPKXTDSA-N 2 2 316.489 3.338 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1)C[NH+](C)C ZINC001657973644 1196198354 /nfs/dbraw/zinc/19/83/54/1196198354.db2.gz SVGCVPGSIUKEFC-SFHVURJKSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001658132934 1196215327 /nfs/dbraw/zinc/21/53/27/1196215327.db2.gz UOEONLSHEJYENR-JFIYKMOQSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001658132934 1196215331 /nfs/dbraw/zinc/21/53/31/1196215331.db2.gz UOEONLSHEJYENR-JFIYKMOQSA-N 2 2 304.478 3.179 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cc(OC)ns1)C1CCCCC1 ZINC001658237855 1196229478 /nfs/dbraw/zinc/22/94/78/1196229478.db2.gz IXRCPWVMVDCWMK-UHFFFAOYSA-N 2 2 311.495 3.286 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cc(OC)ns1)C1CCCCC1 ZINC001658237855 1196229480 /nfs/dbraw/zinc/22/94/80/1196229480.db2.gz IXRCPWVMVDCWMK-UHFFFAOYSA-N 2 2 311.495 3.286 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001658315019 1196240435 /nfs/dbraw/zinc/24/04/35/1196240435.db2.gz IHNZYXPLOCEIAV-LJQANCHMSA-N 2 2 305.381 3.355 20 0 DGADLP Fc1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC001658468993 1196259878 /nfs/dbraw/zinc/25/98/78/1196259878.db2.gz ZXRNFNBAHLXTHO-UHFFFAOYSA-N 2 2 305.372 3.431 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC001658550643 1196273281 /nfs/dbraw/zinc/27/32/81/1196273281.db2.gz VHNXXOQTGVRNTL-JENIJYKNSA-N 2 2 316.489 3.336 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001660349510 1196473740 /nfs/dbraw/zinc/47/37/40/1196473740.db2.gz DNHCQJGUCOZCFV-INIZCTEOSA-N 2 2 320.477 3.055 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001660349510 1196473743 /nfs/dbraw/zinc/47/37/43/1196473743.db2.gz DNHCQJGUCOZCFV-INIZCTEOSA-N 2 2 320.477 3.055 20 0 DGADLP CC[NH+]1CCC(C[NH2+]CC(F)(F)c2ccc(F)cc2)CC1 ZINC001660363246 1196475159 /nfs/dbraw/zinc/47/51/59/1196475159.db2.gz ZYMNPVRTWGBEEK-UHFFFAOYSA-N 2 2 300.368 3.239 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC001660678142 1196511533 /nfs/dbraw/zinc/51/15/33/1196511533.db2.gz VTYCIKCSWOFWAF-HNNXBMFYSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC001660678142 1196511537 /nfs/dbraw/zinc/51/15/37/1196511537.db2.gz VTYCIKCSWOFWAF-HNNXBMFYSA-N 2 2 305.466 3.387 20 0 DGADLP C[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001660748524 1196518862 /nfs/dbraw/zinc/51/88/62/1196518862.db2.gz JCQRDVHLLDHQAH-SJLPKXTDSA-N 2 2 307.526 3.103 20 0 DGADLP C[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001660748524 1196518865 /nfs/dbraw/zinc/51/88/65/1196518865.db2.gz JCQRDVHLLDHQAH-SJLPKXTDSA-N 2 2 307.526 3.103 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)C[C@]2(C)C1 ZINC001660800914 1196526461 /nfs/dbraw/zinc/52/64/61/1196526461.db2.gz XHIMDHCEAAIRRJ-CJNGLKHVSA-N 2 2 312.429 3.385 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)C[C@]2(C)C1 ZINC001660800914 1196526467 /nfs/dbraw/zinc/52/64/67/1196526467.db2.gz XHIMDHCEAAIRRJ-CJNGLKHVSA-N 2 2 312.429 3.385 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)C[C@]2(C)C1 ZINC001660800914 1196526470 /nfs/dbraw/zinc/52/64/70/1196526470.db2.gz XHIMDHCEAAIRRJ-CJNGLKHVSA-N 2 2 312.429 3.385 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)C[C@]2(C)C1 ZINC001660800914 1196526479 /nfs/dbraw/zinc/52/64/79/1196526479.db2.gz XHIMDHCEAAIRRJ-CJNGLKHVSA-N 2 2 312.429 3.385 20 0 DGADLP CC(C)c1cccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001660828018 1196530446 /nfs/dbraw/zinc/53/04/46/1196530446.db2.gz JMYXKAFGHXSBMZ-CALCHBBNSA-N 2 2 304.478 3.399 20 0 DGADLP CC(C)c1cccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001660828018 1196530449 /nfs/dbraw/zinc/53/04/49/1196530449.db2.gz JMYXKAFGHXSBMZ-CALCHBBNSA-N 2 2 304.478 3.399 20 0 DGADLP CCO[C@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC001661651842 1196627895 /nfs/dbraw/zinc/62/78/95/1196627895.db2.gz MKNDRMPNFGJGNB-MRXNPFEDSA-N 2 2 307.463 3.475 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001663099708 1196791806 /nfs/dbraw/zinc/79/18/06/1196791806.db2.gz BHOUQBIEVDDVOT-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001663099708 1196791808 /nfs/dbraw/zinc/79/18/08/1196791808.db2.gz BHOUQBIEVDDVOT-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C[NH+](C)C ZINC001663246354 1196817463 /nfs/dbraw/zinc/81/74/63/1196817463.db2.gz LPSYXLPCORAKKB-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP COc1ccc(SCC[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC001663974717 1196961969 /nfs/dbraw/zinc/96/19/69/1196961969.db2.gz UQSRPMKVORQPGQ-UHFFFAOYSA-N 2 2 308.491 3.250 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C)c(F)c1 ZINC001664035549 1196966627 /nfs/dbraw/zinc/96/66/27/1196966627.db2.gz FULBJDKHGMQURK-MJGOQNOKSA-N 2 2 320.452 3.428 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC001665926557 1197217480 /nfs/dbraw/zinc/21/74/80/1197217480.db2.gz XOKYECIGHXQXGA-UHFFFAOYSA-N 2 2 316.474 3.135 20 0 DGADLP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669888657 1197498777 /nfs/dbraw/zinc/49/87/77/1197498777.db2.gz SZBFZFXUQARWRU-CVEARBPZSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001669888657 1197498779 /nfs/dbraw/zinc/49/87/79/1197498779.db2.gz SZBFZFXUQARWRU-CVEARBPZSA-N 2 2 322.497 3.097 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000387436481 1197708908 /nfs/dbraw/zinc/70/89/08/1197708908.db2.gz RJHKDHHTVVYUCN-UHFFFAOYSA-N 2 2 308.853 3.237 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(C)cccc2C)cn1 ZINC000091057682 1198337717 /nfs/dbraw/zinc/33/77/17/1198337717.db2.gz PRYDPXVMUDWPTB-UHFFFAOYSA-N 2 2 306.413 3.482 20 0 DGADLP CC[N@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000097899211 1199163938 /nfs/dbraw/zinc/16/39/38/1199163938.db2.gz UKSKARHIGQUJSI-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000097899211 1199163943 /nfs/dbraw/zinc/16/39/43/1199163943.db2.gz UKSKARHIGQUJSI-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000105456995 1199540850 /nfs/dbraw/zinc/54/08/50/1199540850.db2.gz HYFQQPMJGPQOBD-CQSZACIVSA-N 2 2 320.868 3.198 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000105456995 1199540853 /nfs/dbraw/zinc/54/08/53/1199540853.db2.gz HYFQQPMJGPQOBD-CQSZACIVSA-N 2 2 320.868 3.198 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276338 1199591991 /nfs/dbraw/zinc/59/19/91/1199591991.db2.gz DXQSWYGCFPZVMZ-APWZRJJASA-N 2 2 310.441 3.435 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276338 1199591993 /nfs/dbraw/zinc/59/19/93/1199591993.db2.gz DXQSWYGCFPZVMZ-APWZRJJASA-N 2 2 310.441 3.435 20 0 DGADLP Cc1cc(N2CC[NH+](C[C@H](C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000116877975 1199815487 /nfs/dbraw/zinc/81/54/87/1199815487.db2.gz MPRSZTUVIINQCY-HNNXBMFYSA-N 2 2 310.445 3.019 20 0 DGADLP CC[C@](C)(C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)OC ZINC000319014742 1199836522 /nfs/dbraw/zinc/83/65/22/1199836522.db2.gz GTDSUYQYSWIDEO-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CC[C@](C)(C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)OC ZINC000319014742 1199836526 /nfs/dbraw/zinc/83/65/26/1199836526.db2.gz GTDSUYQYSWIDEO-GOSISDBHSA-N 2 2 304.478 3.446 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCSCC1)Cc1ccccc1 ZINC000119292027 1200052643 /nfs/dbraw/zinc/05/26/43/1200052643.db2.gz SCSFVJGHARBQKN-GOSISDBHSA-N 2 2 306.519 3.425 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000119418573 1200064939 /nfs/dbraw/zinc/06/49/39/1200064939.db2.gz OOMOFFGILZLALV-AWEZNQCLSA-N 2 2 324.900 3.219 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000119418573 1200064946 /nfs/dbraw/zinc/06/49/46/1200064946.db2.gz OOMOFFGILZLALV-AWEZNQCLSA-N 2 2 324.900 3.219 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000205556962 1200153075 /nfs/dbraw/zinc/15/30/75/1200153075.db2.gz QZXIEEJVIKMLLY-NRFANRHFSA-N 2 2 306.453 3.408 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000205556962 1200153084 /nfs/dbraw/zinc/15/30/84/1200153084.db2.gz QZXIEEJVIKMLLY-NRFANRHFSA-N 2 2 306.453 3.408 20 0 DGADLP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690283716 1200476457 /nfs/dbraw/zinc/47/64/57/1200476457.db2.gz XKXGHHXZNKCIOF-KZMDAOGPSA-N 2 2 315.461 3.214 20 0 DGADLP CCCCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001690283159 1200477059 /nfs/dbraw/zinc/47/70/59/1200477059.db2.gz BDAZFFKXSUFWEH-WKILWMFISA-N 2 2 303.450 3.047 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000131112320 1201115978 /nfs/dbraw/zinc/11/59/78/1201115978.db2.gz DDNCZRDFVYJDNQ-CQSZACIVSA-N 2 2 305.491 3.092 20 0 DGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CC1CC(C)C1 ZINC001753482981 1202271258 /nfs/dbraw/zinc/27/12/58/1202271258.db2.gz KMVOBFFEQRJVPD-SEFLRBGSSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001707082417 1202572199 /nfs/dbraw/zinc/57/21/99/1202572199.db2.gz CNPMKPXXRUGOLJ-QAQDUYKDSA-N 2 2 317.477 3.151 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000234844717 1202603937 /nfs/dbraw/zinc/60/39/37/1202603937.db2.gz JXYIGJUMCALUDB-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000234844717 1202603938 /nfs/dbraw/zinc/60/39/38/1202603938.db2.gz JXYIGJUMCALUDB-CYBMUJFWSA-N 2 2 308.853 3.313 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320390 1202604674 /nfs/dbraw/zinc/60/46/74/1202604674.db2.gz QERHJFLCNFGBKX-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320390 1202604675 /nfs/dbraw/zinc/60/46/75/1202604675.db2.gz QERHJFLCNFGBKX-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000236809551 1202625890 /nfs/dbraw/zinc/62/58/90/1202625890.db2.gz VZHGMWRVSWZDQS-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000236809551 1202625891 /nfs/dbraw/zinc/62/58/91/1202625891.db2.gz VZHGMWRVSWZDQS-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000236835953 1202627851 /nfs/dbraw/zinc/62/78/51/1202627851.db2.gz RKYDWTQKXISHDM-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000236835953 1202627852 /nfs/dbraw/zinc/62/78/52/1202627852.db2.gz RKYDWTQKXISHDM-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000237215979 1202658091 /nfs/dbraw/zinc/65/80/91/1202658091.db2.gz XVQVPYGSDBLOKE-LJQANCHMSA-N 2 2 307.397 3.350 20 0 DGADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000237267822 1202664939 /nfs/dbraw/zinc/66/49/39/1202664939.db2.gz JSEBSHPYRWZIDV-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP CN(CC[NH2+]CCCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713605768 1202673178 /nfs/dbraw/zinc/67/31/78/1202673178.db2.gz QTNAMLVTWPTVOA-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP Cc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000237763457 1202697312 /nfs/dbraw/zinc/69/73/12/1202697312.db2.gz CNOBMZBJURUNFL-UHFFFAOYSA-N 2 2 304.503 3.446 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001714697526 1203103379 /nfs/dbraw/zinc/10/33/79/1203103379.db2.gz APKGNBUWOUEJFS-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP CCCC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715381343 1203329520 /nfs/dbraw/zinc/32/95/20/1203329520.db2.gz DDZHWCGSJUAXOW-HNNXBMFYSA-N 2 2 316.449 3.097 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001725497174 1204159409 /nfs/dbraw/zinc/15/94/09/1204159409.db2.gz JSDPWEZBGJCRRC-MRXNPFEDSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001732716574 1204932633 /nfs/dbraw/zinc/93/26/33/1204932633.db2.gz WLKNTJQOEYZXEM-KDJCLPLCSA-N 2 2 317.477 3.151 20 0 DGADLP CC(C)CC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001734568007 1205396334 /nfs/dbraw/zinc/39/63/34/1205396334.db2.gz GYCCVGVGGLMEJN-HOTGVXAUSA-N 2 2 322.497 3.001 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760249 1081595395 /nfs/dbraw/zinc/59/53/95/1081595395.db2.gz BPQPFFQYAZGDDY-KTYRJHHFSA-N 2 2 323.278 3.482 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760249 1081595401 /nfs/dbraw/zinc/59/54/01/1081595401.db2.gz BPQPFFQYAZGDDY-KTYRJHHFSA-N 2 2 323.278 3.482 20 0 DGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169965032 1081685653 /nfs/dbraw/zinc/68/56/53/1081685653.db2.gz FEKLTYFSQHTRFG-SFHVURJKSA-N 2 2 322.493 3.011 20 0 DGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169965032 1081685654 /nfs/dbraw/zinc/68/56/54/1081685654.db2.gz FEKLTYFSQHTRFG-SFHVURJKSA-N 2 2 322.493 3.011 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001209115221 1081689577 /nfs/dbraw/zinc/68/95/77/1081689577.db2.gz LZJMCYOCAUIXII-GASCZTMLSA-N 2 2 310.844 3.295 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001209115221 1081689579 /nfs/dbraw/zinc/68/95/79/1081689579.db2.gz LZJMCYOCAUIXII-GASCZTMLSA-N 2 2 310.844 3.295 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001209115221 1081689581 /nfs/dbraw/zinc/68/95/81/1081689581.db2.gz LZJMCYOCAUIXII-GASCZTMLSA-N 2 2 310.844 3.295 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](CCc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001209115221 1081689584 /nfs/dbraw/zinc/68/95/84/1081689584.db2.gz LZJMCYOCAUIXII-GASCZTMLSA-N 2 2 310.844 3.295 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccn(C)n1 ZINC001648792102 1081697839 /nfs/dbraw/zinc/69/78/39/1081697839.db2.gz ILQWKKKYXCOXNU-MRXNPFEDSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccn(C)n1 ZINC001648792102 1081697843 /nfs/dbraw/zinc/69/78/43/1081697843.db2.gz ILQWKKKYXCOXNU-MRXNPFEDSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@@H]1C[C@@H](C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC001209378538 1081714952 /nfs/dbraw/zinc/71/49/52/1081714952.db2.gz BNAQTUAZKGVUKL-MUJYYYPQSA-N 2 2 304.434 3.128 20 0 DGADLP CC[C@@H](c1ccccc1)N(C)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001167127378 1081734548 /nfs/dbraw/zinc/73/45/48/1081734548.db2.gz CNPDRILEXYDWPX-SFHVURJKSA-N 2 2 310.445 3.079 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136333 1082176978 /nfs/dbraw/zinc/17/69/78/1082176978.db2.gz JUGJUJBEKTUAHS-OAGGEKHMSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136333 1082176980 /nfs/dbraw/zinc/17/69/80/1082176980.db2.gz JUGJUJBEKTUAHS-OAGGEKHMSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CC[C@@H](C)C1)[C@@H]2C ZINC001170136333 1082176983 /nfs/dbraw/zinc/17/69/83/1082176983.db2.gz JUGJUJBEKTUAHS-OAGGEKHMSA-N 2 2 304.482 3.289 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C[NH2+]1 ZINC000399072736 1082263277 /nfs/dbraw/zinc/26/32/77/1082263277.db2.gz OJRMIOPAGLZBKO-QFBILLFUSA-N 2 2 310.441 3.496 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001170260893 1082330419 /nfs/dbraw/zinc/33/04/19/1082330419.db2.gz NPFCKUBVNMDHJU-HOCLYGCPSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001170260893 1082330426 /nfs/dbraw/zinc/33/04/26/1082330426.db2.gz NPFCKUBVNMDHJU-HOCLYGCPSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001170260895 1082330671 /nfs/dbraw/zinc/33/06/71/1082330671.db2.gz NPFCKUBVNMDHJU-ZBFHGGJFSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001170260895 1082330678 /nfs/dbraw/zinc/33/06/78/1082330678.db2.gz NPFCKUBVNMDHJU-ZBFHGGJFSA-N 2 2 322.880 3.114 20 0 DGADLP Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001170333647 1082348757 /nfs/dbraw/zinc/34/87/57/1082348757.db2.gz QKAAQHCGJKAIJU-NNZMDNLPSA-N 2 2 308.429 3.393 20 0 DGADLP Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001170333647 1082348765 /nfs/dbraw/zinc/34/87/65/1082348765.db2.gz QKAAQHCGJKAIJU-NNZMDNLPSA-N 2 2 308.429 3.393 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001170427918 1082396484 /nfs/dbraw/zinc/39/64/84/1082396484.db2.gz BYZQXYQNUFYIRP-INIZCTEOSA-N 2 2 323.396 3.174 20 0 DGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482359 1082556946 /nfs/dbraw/zinc/55/69/46/1082556946.db2.gz CLMORALQPFCRTK-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000309336932 1083027604 /nfs/dbraw/zinc/02/76/04/1083027604.db2.gz JXJSRGBPNSWZMV-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000309336932 1083027608 /nfs/dbraw/zinc/02/76/08/1083027608.db2.gz JXJSRGBPNSWZMV-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329274 1083574633 /nfs/dbraw/zinc/57/46/33/1083574633.db2.gz GMGXOIZQABGELV-NEWSRXKRSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH2+]1 ZINC000709329274 1083574649 /nfs/dbraw/zinc/57/46/49/1083574649.db2.gz GMGXOIZQABGELV-NEWSRXKRSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)c1cccc(Br)c1 ZINC001182196728 1083644871 /nfs/dbraw/zinc/64/48/71/1083644871.db2.gz VFHUPBXZZOZDLD-GFCCVEGCSA-N 2 2 313.283 3.482 20 0 DGADLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1OC ZINC001205263660 1083911506 /nfs/dbraw/zinc/91/15/06/1083911506.db2.gz BHMXZXIDRVLNNL-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1OC ZINC001205263660 1083911513 /nfs/dbraw/zinc/91/15/13/1083911513.db2.gz BHMXZXIDRVLNNL-MRXNPFEDSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(F)c2Br)CC1 ZINC001205263718 1083914189 /nfs/dbraw/zinc/91/41/89/1083914189.db2.gz BZNJRTPLELQVQN-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(F)c2Br)CC1 ZINC001205263718 1083914175 /nfs/dbraw/zinc/91/41/75/1083914175.db2.gz BZNJRTPLELQVQN-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001184374765 1084166811 /nfs/dbraw/zinc/16/68/11/1084166811.db2.gz QHJDXWSIDAGEQS-QGZVFWFLSA-N 3 2 318.509 3.159 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001184374765 1084166815 /nfs/dbraw/zinc/16/68/15/1084166815.db2.gz QHJDXWSIDAGEQS-QGZVFWFLSA-N 3 2 318.509 3.159 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205303814 1084221635 /nfs/dbraw/zinc/22/16/35/1084221635.db2.gz KYKJQYHYBYMOJJ-WCQYABFASA-N 2 2 314.832 3.295 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC001205303814 1084221641 /nfs/dbraw/zinc/22/16/41/1084221641.db2.gz KYKJQYHYBYMOJJ-WCQYABFASA-N 2 2 314.832 3.295 20 0 DGADLP CCc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001184766281 1084260257 /nfs/dbraw/zinc/26/02/57/1084260257.db2.gz CSPZNJCAFNIMNR-AWEZNQCLSA-N 2 2 304.463 3.378 20 0 DGADLP C[N@@H+]1CCc2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2C1 ZINC001185043349 1084332226 /nfs/dbraw/zinc/33/22/26/1084332226.db2.gz LWBPOVLGZDUCDK-UHFFFAOYSA-N 2 2 308.429 3.413 20 0 DGADLP C[N@H+]1CCc2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2C1 ZINC001185043349 1084332237 /nfs/dbraw/zinc/33/22/37/1084332237.db2.gz LWBPOVLGZDUCDK-UHFFFAOYSA-N 2 2 308.429 3.413 20 0 DGADLP CC[NH+]1CCC(CCNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001185527690 1084464208 /nfs/dbraw/zinc/46/42/08/1084464208.db2.gz OBSIZKJJPZVZBX-UHFFFAOYSA-N 2 2 323.444 3.416 20 0 DGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001481823326 1084650568 /nfs/dbraw/zinc/65/05/68/1084650568.db2.gz DGNOLXOBLLLSMF-AWEZNQCLSA-N 2 2 316.449 3.097 20 0 DGADLP C[C@H]1CC([NH2+]Cc2ccnnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018509 1086330653 /nfs/dbraw/zinc/33/06/53/1086330653.db2.gz ZMFPTXIEYHHEEO-HOTGVXAUSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2ccnnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018512 1086331019 /nfs/dbraw/zinc/33/10/19/1086331019.db2.gz ZMFPTXIEYHHEEO-HZPDHXFCSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCC(C)CC1 ZINC001648965528 1086489141 /nfs/dbraw/zinc/48/91/41/1086489141.db2.gz PBKILQASJMPGCP-OAHLLOKOSA-N 2 2 318.490 3.144 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039172 1086497157 /nfs/dbraw/zinc/49/71/57/1086497157.db2.gz BQFNHSGWEMKZFF-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039172 1086497162 /nfs/dbraw/zinc/49/71/62/1086497162.db2.gz BQFNHSGWEMKZFF-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039172 1086497164 /nfs/dbraw/zinc/49/71/64/1086497164.db2.gz BQFNHSGWEMKZFF-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039172 1086497166 /nfs/dbraw/zinc/49/71/66/1086497166.db2.gz BQFNHSGWEMKZFF-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP CO[C@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041065 1086504540 /nfs/dbraw/zinc/50/45/40/1086504540.db2.gz QLSRGDPXNUBOGO-PTIUUAQKSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041065 1086504550 /nfs/dbraw/zinc/50/45/50/1086504550.db2.gz QLSRGDPXNUBOGO-PTIUUAQKSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041065 1086504558 /nfs/dbraw/zinc/50/45/58/1086504558.db2.gz QLSRGDPXNUBOGO-PTIUUAQKSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041065 1086504565 /nfs/dbraw/zinc/50/45/65/1086504565.db2.gz QLSRGDPXNUBOGO-PTIUUAQKSA-N 2 2 320.452 3.097 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(F)(F)F)c2)C1 ZINC001205009565 1086530656 /nfs/dbraw/zinc/53/06/56/1086530656.db2.gz XDFWBSTZRWKVQO-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C(F)(F)F)c2)C1 ZINC001205009565 1086530662 /nfs/dbraw/zinc/53/06/62/1086530662.db2.gz XDFWBSTZRWKVQO-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112864 1086921056 /nfs/dbraw/zinc/92/10/56/1086921056.db2.gz DZKLBDMFTWQANR-APWZRJJASA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112864 1086921065 /nfs/dbraw/zinc/92/10/65/1086921065.db2.gz DZKLBDMFTWQANR-APWZRJJASA-N 2 2 302.462 3.150 20 0 DGADLP CC1CCC([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001168214635 1087058556 /nfs/dbraw/zinc/05/85/56/1087058556.db2.gz CGMRTQQCIXXDSZ-BUGOSIMFSA-N 2 2 313.489 3.414 20 0 DGADLP CC1CCC([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001168214635 1087058563 /nfs/dbraw/zinc/05/85/63/1087058563.db2.gz CGMRTQQCIXXDSZ-BUGOSIMFSA-N 2 2 313.489 3.414 20 0 DGADLP CC1CCC([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001168214635 1087058567 /nfs/dbraw/zinc/05/85/67/1087058567.db2.gz CGMRTQQCIXXDSZ-BUGOSIMFSA-N 2 2 313.489 3.414 20 0 DGADLP CC1CCC([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)CC1 ZINC001168214635 1087058573 /nfs/dbraw/zinc/05/85/73/1087058573.db2.gz CGMRTQQCIXXDSZ-BUGOSIMFSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001648986329 1087069267 /nfs/dbraw/zinc/06/92/67/1087069267.db2.gz RSSBGYCTLLRUKR-CQSZACIVSA-N 2 2 301.409 3.318 20 0 DGADLP FC(F)(F)c1ccnc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168360176 1087341528 /nfs/dbraw/zinc/34/15/28/1087341528.db2.gz LFAQUQJTGSAMSF-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387629 1087548026 /nfs/dbraw/zinc/54/80/26/1087548026.db2.gz MSKCAICXWQNAJC-VQTJNVASSA-N 3 2 319.537 3.200 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387629 1087548027 /nfs/dbraw/zinc/54/80/27/1087548027.db2.gz MSKCAICXWQNAJC-VQTJNVASSA-N 3 2 319.537 3.200 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387629 1087548032 /nfs/dbraw/zinc/54/80/32/1087548032.db2.gz MSKCAICXWQNAJC-VQTJNVASSA-N 3 2 319.537 3.200 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387629 1087548034 /nfs/dbraw/zinc/54/80/34/1087548034.db2.gz MSKCAICXWQNAJC-VQTJNVASSA-N 3 2 319.537 3.200 20 0 DGADLP CC1(C)CCC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)O1 ZINC001168389397 1087548456 /nfs/dbraw/zinc/54/84/56/1087548456.db2.gz NSFQAPICCKDHFQ-UHFFFAOYSA-N 2 2 306.494 3.284 20 0 DGADLP Cc1[nH+]cn([C@H]2CCc3cc(F)ccc3C2)c1CSCC[NH3+] ZINC001168406568 1087567850 /nfs/dbraw/zinc/56/78/50/1087567850.db2.gz HMEXPGJIGHJOEJ-INIZCTEOSA-N 2 2 319.449 3.253 20 0 DGADLP c1ccc2c(c1)cc[nH+]c2Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159107242 1088182048 /nfs/dbraw/zinc/18/20/48/1088182048.db2.gz MLOZYEWFDVZNKX-UHFFFAOYSA-N 2 2 304.397 3.388 20 0 DGADLP c1c[nH+]c(N2CCCCC2)c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159167446 1088215439 /nfs/dbraw/zinc/21/54/39/1088215439.db2.gz LBDRCWMOHFTSPM-UHFFFAOYSA-N 2 2 308.429 3.461 20 0 DGADLP COc1ccc2[nH+]ccc(Nc3ccc([C@@H]4CCC[NH2+]4)cc3)c2n1 ZINC001159289512 1088275024 /nfs/dbraw/zinc/27/50/24/1088275024.db2.gz CNJNJNFAMQSHQY-HNNXBMFYSA-N 2 2 320.396 3.228 20 0 DGADLP Cc1c[nH+]cc(Nc2cccnc2OCC2CC[NH2+]CC2)c1C ZINC001159295852 1088277288 /nfs/dbraw/zinc/27/72/88/1088277288.db2.gz SOMPOECZZIKSCT-UHFFFAOYSA-N 2 2 312.417 3.215 20 0 DGADLP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2F)CC1 ZINC001235679957 1088383030 /nfs/dbraw/zinc/38/30/30/1088383030.db2.gz PQEQYFIJYXLIHR-UHFFFAOYSA-N 2 2 322.321 3.415 20 0 DGADLP Cc1c[nH+]c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c(N)c1 ZINC001159653719 1088435616 /nfs/dbraw/zinc/43/56/16/1088435616.db2.gz KZMRZWSVZHDTDH-KRWDZBQOSA-N 2 2 310.445 3.091 20 0 DGADLP c1c[nH+]c(-c2ccc(Nc3cccc(N4CC[NH2+]CC4)c3)cc2)[nH]1 ZINC001159856421 1088519124 /nfs/dbraw/zinc/51/91/24/1088519124.db2.gz PZMWFJYFEGMPMG-UHFFFAOYSA-N 2 2 319.412 3.230 20 0 DGADLP [NH3+][C@H]1CCCN(c2ccccc2Nc2cccc3[nH+]c[nH]c32)C1 ZINC001159982113 1088586237 /nfs/dbraw/zinc/58/62/37/1088586237.db2.gz IUGAGQOXACJIQS-ZDUSSCGKSA-N 2 2 307.401 3.234 20 0 DGADLP CNc1ccc(Nc2cc(F)ccc2OC2CC[NH2+]CC2)c[nH+]1 ZINC001160134034 1088659962 /nfs/dbraw/zinc/65/99/62/1088659962.db2.gz DOCCSWSEKVDQLL-UHFFFAOYSA-N 2 2 316.380 3.137 20 0 DGADLP c1cc2c(cccc2CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC001160186431 1088690295 /nfs/dbraw/zinc/69/02/95/1088690295.db2.gz DFVUDYHGEZZGHL-UHFFFAOYSA-N 2 2 324.453 3.318 20 0 DGADLP CN(C)c1ccc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c[nH+]1 ZINC001160256000 1088726569 /nfs/dbraw/zinc/72/65/69/1088726569.db2.gz HIFOXTBIFJJUEN-INIZCTEOSA-N 2 2 310.445 3.433 20 0 DGADLP CN(C)c1ccc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c[nH+]1 ZINC001160256001 1088726968 /nfs/dbraw/zinc/72/69/68/1088726968.db2.gz HIFOXTBIFJJUEN-MRXNPFEDSA-N 2 2 310.445 3.433 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](Nc2cc(-c3ccnc(Cl)c3)cc[nH+]2)C1 ZINC001154975066 1088865372 /nfs/dbraw/zinc/86/53/72/1088865372.db2.gz GTYCKYJVLNQJAE-KGLIPLIRSA-N 2 2 302.809 3.479 20 0 DGADLP CSc1cc[nH+]c(N(Cc2ccccc2)C[C@H](C)C[NH3+])c1 ZINC001160664042 1088909845 /nfs/dbraw/zinc/90/98/45/1088909845.db2.gz AKQNJDQROAWDLQ-CQSZACIVSA-N 2 2 301.459 3.405 20 0 DGADLP Cc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(Cl)cc1Cl ZINC001155064085 1088925892 /nfs/dbraw/zinc/92/58/92/1088925892.db2.gz MHWKMMVAMOXBGW-UHFFFAOYSA-N 2 2 311.216 3.350 20 0 DGADLP Cc1cc2ccccc2c(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)[nH+]1 ZINC001160723364 1088931338 /nfs/dbraw/zinc/93/13/38/1088931338.db2.gz FZDIIHJHNWCISS-QZTJIDSGSA-N 2 2 311.429 3.208 20 0 DGADLP C[C@@H]1CCCC[C@H]1CNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001155077042 1088932787 /nfs/dbraw/zinc/93/27/87/1088932787.db2.gz KNCCDKLIKCSUOJ-CVEARBPZSA-N 2 2 302.466 3.072 20 0 DGADLP CC(C)c1ccc(CCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001160813433 1088977759 /nfs/dbraw/zinc/97/77/59/1088977759.db2.gz PAACGHPCMMNQKT-UHFFFAOYSA-N 2 2 324.472 3.269 20 0 DGADLP CCCN(CCC)c1cc(NCc2ccccc2C[NH3+])[nH+]cn1 ZINC001160907234 1089010743 /nfs/dbraw/zinc/01/07/43/1089010743.db2.gz LZQNZFTUNIQOCA-UHFFFAOYSA-N 2 2 313.449 3.174 20 0 DGADLP CCCN(CCC)c1cc(NCc2ccccc2C[NH3+])nc[nH+]1 ZINC001160907234 1089010765 /nfs/dbraw/zinc/01/07/65/1089010765.db2.gz LZQNZFTUNIQOCA-UHFFFAOYSA-N 2 2 313.449 3.174 20 0 DGADLP Cc1cc(Cl)c(C)c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001155382624 1089087099 /nfs/dbraw/zinc/08/70/99/1089087099.db2.gz IGJKYINMQNRGLY-AWEZNQCLSA-N 2 2 323.868 3.313 20 0 DGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522536 1089143299 /nfs/dbraw/zinc/14/32/99/1089143299.db2.gz XFKHEEOOKXFHJN-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522536 1089143307 /nfs/dbraw/zinc/14/33/07/1089143307.db2.gz XFKHEEOOKXFHJN-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521110 1089144305 /nfs/dbraw/zinc/14/43/05/1089144305.db2.gz FKAUZFIENWQKSZ-NXVGNOFTSA-N 2 2 320.481 3.017 20 0 DGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521110 1089144311 /nfs/dbraw/zinc/14/43/11/1089144311.db2.gz FKAUZFIENWQKSZ-NXVGNOFTSA-N 2 2 320.481 3.017 20 0 DGADLP Nc1cc(Cl)[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)c1 ZINC001161232924 1089161026 /nfs/dbraw/zinc/16/10/26/1089161026.db2.gz FOQSLRAPQNXLMS-UHFFFAOYSA-N 2 2 308.857 3.241 20 0 DGADLP c1ccc(-c2cc[nH+]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC001155592531 1089178705 /nfs/dbraw/zinc/17/87/05/1089178705.db2.gz QLLUUPPVFWPUNH-OXQOHEQNSA-N 2 2 323.440 3.319 20 0 DGADLP COCCC1(CNc2[nH+]c(C)cc(Cl)c2C)CC[NH2+]CC1 ZINC001161503555 1089264303 /nfs/dbraw/zinc/26/43/03/1089264303.db2.gz NPWMEGWHTSVLST-UHFFFAOYSA-N 2 2 311.857 3.170 20 0 DGADLP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NCCCn1cc[nH+]c1 ZINC001161681802 1089345218 /nfs/dbraw/zinc/34/52/18/1089345218.db2.gz BIACIWXBTVTYAV-UHFFFAOYSA-N 2 2 315.421 3.073 20 0 DGADLP [NH3+]CCCC[NH2+]CCCNc1[nH+]ccc2cc(Cl)ccc21 ZINC001162290113 1089661416 /nfs/dbraw/zinc/66/14/16/1089661416.db2.gz JOZUXSSNNRNYLU-UHFFFAOYSA-N 3 2 306.841 3.019 20 0 DGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc(-c2ccccc2)[nH+]1 ZINC001162454204 1089737678 /nfs/dbraw/zinc/73/76/78/1089737678.db2.gz NOJPHHCSVYAGAX-RHSMWYFYSA-N 2 2 310.445 3.500 20 0 DGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]cc1C(F)(F)F ZINC001162454456 1089739575 /nfs/dbraw/zinc/73/95/75/1089739575.db2.gz OKEWLHWQPRDISZ-VXGBXAGGSA-N 2 2 301.356 3.456 20 0 DGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1C ZINC001162461759 1089744601 /nfs/dbraw/zinc/74/46/01/1089744601.db2.gz QYOPVVVBJVBUBL-IUODEOHRSA-N 2 2 304.482 3.439 20 0 DGADLP F[C@@H]1C[NH2+][C@H](CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)C1 ZINC001162481123 1089755410 /nfs/dbraw/zinc/75/54/10/1089755410.db2.gz IWLBIMMMAGLDSQ-ZFWWWQNUSA-N 2 2 310.376 3.342 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001162553905 1089786070 /nfs/dbraw/zinc/78/60/70/1089786070.db2.gz ATGBFUHWIZACAG-KRWDZBQOSA-N 2 2 322.456 3.023 20 0 DGADLP Cc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)nc(C(C)C)[nH+]1 ZINC001157221284 1089879724 /nfs/dbraw/zinc/87/97/24/1089879724.db2.gz XWGMBWZCCXIZPG-UHFFFAOYSA-N 2 2 310.401 3.059 20 0 DGADLP COc1ccc2c[nH+]c(NCC[C@@H]3CC[NH2+]CC3(F)F)cc2c1 ZINC001162813219 1089972235 /nfs/dbraw/zinc/97/22/35/1089972235.db2.gz SRVKVLIWQIJHBL-AWEZNQCLSA-N 2 2 321.371 3.290 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001162910776 1090020861 /nfs/dbraw/zinc/02/08/61/1090020861.db2.gz WRSRETUDMHZOAQ-UHFFFAOYSA-N 2 2 315.461 3.217 20 0 DGADLP c1cn(Cc2ccc(N[C@H]3C[NH2+]Cc4ccsc43)cc2)c[nH+]1 ZINC001163227817 1090124974 /nfs/dbraw/zinc/12/49/74/1090124974.db2.gz COABLDGKGOLGKT-INIZCTEOSA-N 2 2 310.426 3.249 20 0 DGADLP Cc1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)nc(C(C)(C)C)[nH+]1 ZINC001163275601 1090137899 /nfs/dbraw/zinc/13/78/99/1090137899.db2.gz JQTHOBRSOUMOHC-INIZCTEOSA-N 2 2 310.445 3.209 20 0 DGADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001163311660 1090147743 /nfs/dbraw/zinc/14/77/43/1090147743.db2.gz JSHMIQYHMTXFNL-HNNXBMFYSA-N 2 2 324.472 3.360 20 0 DGADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001163311660 1090147748 /nfs/dbraw/zinc/14/77/48/1090147748.db2.gz JSHMIQYHMTXFNL-HNNXBMFYSA-N 2 2 324.472 3.360 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[C@H]([NH2+]C(C)C)C(C)C)c(C)[nH+]1 ZINC001485433933 1090151414 /nfs/dbraw/zinc/15/14/14/1090151414.db2.gz DOOIEWKJPUIMGQ-KRWDZBQOSA-N 2 2 319.493 3.492 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(OC(C)C)c(C)c1 ZINC001238376624 1090370128 /nfs/dbraw/zinc/37/01/28/1090370128.db2.gz DDCBCURJHFQTMM-UHFFFAOYSA-N 2 2 307.482 3.341 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(OC(C)C)c(C)c1 ZINC001238376624 1090370132 /nfs/dbraw/zinc/37/01/32/1090370132.db2.gz DDCBCURJHFQTMM-UHFFFAOYSA-N 2 2 307.482 3.341 20 0 DGADLP Cc1nc(N2CCC(C[NH3+])(c3ccccc3)CC2)cc(C(C)C)[nH+]1 ZINC001164435358 1090422697 /nfs/dbraw/zinc/42/26/97/1090422697.db2.gz ANLSNMOSZSVTLA-UHFFFAOYSA-N 2 2 324.472 3.405 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(C)C)c[nH+]2)CC1 ZINC001165107792 1090465935 /nfs/dbraw/zinc/46/59/35/1090465935.db2.gz GAXTUAPUKDEMMH-GOSISDBHSA-N 2 2 317.477 3.285 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(C)C)c[nH+]2)CC1 ZINC001165107792 1090465938 /nfs/dbraw/zinc/46/59/38/1090465938.db2.gz GAXTUAPUKDEMMH-GOSISDBHSA-N 2 2 317.477 3.285 20 0 DGADLP Cc1c(F)cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001165668653 1090537354 /nfs/dbraw/zinc/53/73/54/1090537354.db2.gz BXUXYJDOHLPTHI-AWEZNQCLSA-N 2 2 321.440 3.045 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001206718507 1090659943 /nfs/dbraw/zinc/65/99/43/1090659943.db2.gz UEUCPXXCKBZWQT-UHFFFAOYSA-N 2 2 314.404 3.185 20 0 DGADLP Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001166900217 1090673633 /nfs/dbraw/zinc/67/36/33/1090673633.db2.gz LZQZRXKLXRYEKP-OAHLLOKOSA-N 2 2 302.466 3.051 20 0 DGADLP CN(C[C@@H]1CC[NH2+]C1)c1cc(SCc2ccccc2)cc[nH+]1 ZINC001166957803 1090681876 /nfs/dbraw/zinc/68/18/76/1090681876.db2.gz JTRJMWPCGTYSNC-MRXNPFEDSA-N 2 2 313.470 3.420 20 0 DGADLP COc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1OC ZINC001203455326 1090737572 /nfs/dbraw/zinc/73/75/72/1090737572.db2.gz KGRBXAYCMXCXNA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP COc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1OC ZINC001203455326 1090737575 /nfs/dbraw/zinc/73/75/75/1090737575.db2.gz KGRBXAYCMXCXNA-UHFFFAOYSA-N 2 2 306.450 3.008 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(C)c1 ZINC001203731777 1090791622 /nfs/dbraw/zinc/79/16/22/1090791622.db2.gz MLPJCWCEEWFUTO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(C)c1 ZINC001203731777 1090791627 /nfs/dbraw/zinc/79/16/27/1090791627.db2.gz MLPJCWCEEWFUTO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c(C)c1 ZINC001203731777 1090791632 /nfs/dbraw/zinc/79/16/32/1090791632.db2.gz MLPJCWCEEWFUTO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c(C)c1 ZINC001203731777 1090791635 /nfs/dbraw/zinc/79/16/35/1090791635.db2.gz MLPJCWCEEWFUTO-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC001203744661 1090793866 /nfs/dbraw/zinc/79/38/66/1090793866.db2.gz FUWSGBSEUFOOAR-UHFFFAOYSA-N 2 2 324.472 3.341 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CC(C)C)C(C)(C)C)c(C)[nH+]1 ZINC001486406278 1090829545 /nfs/dbraw/zinc/82/95/45/1090829545.db2.gz VAFRAJOESCZCGK-MRXNPFEDSA-N 2 2 319.493 3.397 20 0 DGADLP CC[C@H](C)C[C@H](C)Nc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001168695638 1090885780 /nfs/dbraw/zinc/88/57/80/1090885780.db2.gz QPJXDSRXDFFADX-ZFWWWQNUSA-N 2 2 319.497 3.197 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001204232025 1090929828 /nfs/dbraw/zinc/92/98/28/1090929828.db2.gz BZNLDMKDMFEHIF-MRXNPFEDSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001204232025 1090929833 /nfs/dbraw/zinc/92/98/33/1090929833.db2.gz BZNLDMKDMFEHIF-MRXNPFEDSA-N 2 2 304.340 3.322 20 0 DGADLP CCCn1cncc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001204306690 1090945492 /nfs/dbraw/zinc/94/54/92/1090945492.db2.gz JIHGEMCPQIJOJM-MRXNPFEDSA-N 2 2 313.449 3.073 20 0 DGADLP CCCn1cncc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001204306690 1090945496 /nfs/dbraw/zinc/94/54/96/1090945496.db2.gz JIHGEMCPQIJOJM-MRXNPFEDSA-N 2 2 313.449 3.073 20 0 DGADLP CC(=O)n1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC001204409922 1090963045 /nfs/dbraw/zinc/96/30/45/1090963045.db2.gz JPXHIBKDLDJGGJ-UHFFFAOYSA-N 2 2 322.412 3.335 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(F)cccc3C(F)(F)F)C[C@@H]2C1 ZINC001204461699 1090974989 /nfs/dbraw/zinc/97/49/89/1090974989.db2.gz ONZWTUDCTQUUDO-NEPJUHHUSA-N 2 2 316.342 3.228 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(F)cccc3C(F)(F)F)C[C@@H]2C1 ZINC001204461699 1090974992 /nfs/dbraw/zinc/97/49/92/1090974992.db2.gz ONZWTUDCTQUUDO-NEPJUHHUSA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3C(F)(F)F)C[C@@H]2C1 ZINC001204461699 1090974994 /nfs/dbraw/zinc/97/49/94/1090974994.db2.gz ONZWTUDCTQUUDO-NEPJUHHUSA-N 2 2 316.342 3.228 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3C(F)(F)F)C[C@@H]2C1 ZINC001204461699 1090974996 /nfs/dbraw/zinc/97/49/96/1090974996.db2.gz ONZWTUDCTQUUDO-NEPJUHHUSA-N 2 2 316.342 3.228 20 0 DGADLP Fc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c(F)c1F ZINC001204742124 1091027649 /nfs/dbraw/zinc/02/76/49/1091027649.db2.gz IGCFIZKPVUBEAX-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP Fc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c(F)c1F ZINC001204742124 1091027656 /nfs/dbraw/zinc/02/76/56/1091027656.db2.gz IGCFIZKPVUBEAX-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001204893496 1091057357 /nfs/dbraw/zinc/05/73/57/1091057357.db2.gz HJTVLPROPSLOAP-STQMWFEESA-N 2 2 316.342 3.228 20 0 DGADLP CC/C=C\CCCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001276477937 1091068467 /nfs/dbraw/zinc/06/84/67/1091068467.db2.gz JHLDUFBVZUFSKZ-ARJAWSKDSA-N 2 2 316.493 3.170 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001205008425 1091082113 /nfs/dbraw/zinc/08/21/13/1091082113.db2.gz AKRJQJRWDHAHDO-HNNXBMFYSA-N 2 2 301.409 3.048 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001205008425 1091082119 /nfs/dbraw/zinc/08/21/19/1091082119.db2.gz AKRJQJRWDHAHDO-HNNXBMFYSA-N 2 2 301.409 3.048 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])n2)cc1 ZINC001205074845 1091095218 /nfs/dbraw/zinc/09/52/18/1091095218.db2.gz AUNKQXYXJWUQAW-YOEHRIQHSA-N 2 2 311.429 3.069 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])n2)cc1 ZINC001205074845 1091095222 /nfs/dbraw/zinc/09/52/22/1091095222.db2.gz AUNKQXYXJWUQAW-YOEHRIQHSA-N 2 2 311.429 3.069 20 0 DGADLP [NH3+][C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205131213 1091109242 /nfs/dbraw/zinc/10/92/42/1091109242.db2.gz UKFZLKPTJSJDAI-AWEZNQCLSA-N 2 2 305.809 3.308 20 0 DGADLP [NH3+][C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205131213 1091109245 /nfs/dbraw/zinc/10/92/45/1091109245.db2.gz UKFZLKPTJSJDAI-AWEZNQCLSA-N 2 2 305.809 3.308 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205136138 1091110725 /nfs/dbraw/zinc/11/07/25/1091110725.db2.gz QMCJLNPOOFXAEJ-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205136138 1091110727 /nfs/dbraw/zinc/11/07/27/1091110727.db2.gz QMCJLNPOOFXAEJ-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001205331111 1091188535 /nfs/dbraw/zinc/18/85/35/1091188535.db2.gz DVNXWMVTBCEQGA-CYBMUJFWSA-N 2 2 317.383 3.211 20 0 DGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001205331111 1091188538 /nfs/dbraw/zinc/18/85/38/1091188538.db2.gz DVNXWMVTBCEQGA-CYBMUJFWSA-N 2 2 317.383 3.211 20 0 DGADLP COc1cc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205339039 1091191170 /nfs/dbraw/zinc/19/11/70/1091191170.db2.gz DJTQMWSLRUPECN-CQSZACIVSA-N 2 2 315.461 3.096 20 0 DGADLP COc1cc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205339039 1091191173 /nfs/dbraw/zinc/19/11/73/1091191173.db2.gz DJTQMWSLRUPECN-CQSZACIVSA-N 2 2 315.461 3.096 20 0 DGADLP c1ccc(N2CCCCC2)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001138607388 1091249838 /nfs/dbraw/zinc/24/98/38/1091249838.db2.gz JSVNSFZGSNJTMW-UHFFFAOYSA-N 2 2 313.489 3.347 20 0 DGADLP CCn1nc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001138648582 1091275291 /nfs/dbraw/zinc/27/52/91/1091275291.db2.gz SRUSFRZZXCPTFC-UHFFFAOYSA-N 2 2 318.509 3.359 20 0 DGADLP CCn1nc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001138648582 1091275301 /nfs/dbraw/zinc/27/53/01/1091275301.db2.gz SRUSFRZZXCPTFC-UHFFFAOYSA-N 2 2 318.509 3.359 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](CCc2ccc(Cl)cc2Cl)CCC1(F)F ZINC001205734921 1091326686 /nfs/dbraw/zinc/32/66/86/1091326686.db2.gz HKRASRNHRHUWBX-NSHDSACASA-N 2 2 323.214 3.452 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](CCc2ccc(Cl)cc2Cl)CCC1(F)F ZINC001205734921 1091326700 /nfs/dbraw/zinc/32/67/00/1091326700.db2.gz HKRASRNHRHUWBX-NSHDSACASA-N 2 2 323.214 3.452 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205788889 1091346612 /nfs/dbraw/zinc/34/66/12/1091346612.db2.gz STBFPYPIMWOZIR-CQSZACIVSA-N 2 2 312.404 3.280 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205788889 1091346626 /nfs/dbraw/zinc/34/66/26/1091346626.db2.gz STBFPYPIMWOZIR-CQSZACIVSA-N 2 2 312.404 3.280 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3ccccc3n2)CC1 ZINC001138867682 1091361975 /nfs/dbraw/zinc/36/19/75/1091361975.db2.gz SONFPNWRNPPWCZ-UHFFFAOYSA-N 2 2 312.461 3.326 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3ccccc3n2)CC1 ZINC001138867682 1091361986 /nfs/dbraw/zinc/36/19/86/1091361986.db2.gz SONFPNWRNPPWCZ-UHFFFAOYSA-N 2 2 312.461 3.326 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838191 1091373060 /nfs/dbraw/zinc/37/30/60/1091373060.db2.gz BEWYXEOOZRCKAX-SWLSCSKDSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205838191 1091373072 /nfs/dbraw/zinc/37/30/72/1091373072.db2.gz BEWYXEOOZRCKAX-SWLSCSKDSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842727 1091375946 /nfs/dbraw/zinc/37/59/46/1091375946.db2.gz OLQYFKASNZLBRZ-GOEBONIOSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842727 1091375957 /nfs/dbraw/zinc/37/59/57/1091375957.db2.gz OLQYFKASNZLBRZ-GOEBONIOSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842726 1091376264 /nfs/dbraw/zinc/37/62/64/1091376264.db2.gz OLQYFKASNZLBRZ-GDBMZVCRSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001205842726 1091376277 /nfs/dbraw/zinc/37/62/77/1091376277.db2.gz OLQYFKASNZLBRZ-GDBMZVCRSA-N 2 2 313.420 3.447 20 0 DGADLP CC(C)[N@H+](Cc1c2cc[nH]c2ncc1Cl)C1CC[NH+](C)CC1 ZINC001138955201 1091390767 /nfs/dbraw/zinc/39/07/67/1091390767.db2.gz PTMYGARVVICWET-UHFFFAOYSA-N 2 2 320.868 3.473 20 0 DGADLP CC(C)[N@@H+](Cc1c2cc[nH]c2ncc1Cl)C1CC[NH+](C)CC1 ZINC001138955201 1091390779 /nfs/dbraw/zinc/39/07/79/1091390779.db2.gz PTMYGARVVICWET-UHFFFAOYSA-N 2 2 320.868 3.473 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1sccc1Br ZINC001205903501 1091401988 /nfs/dbraw/zinc/40/19/88/1091401988.db2.gz PTAPGENTVCKTHC-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1sccc1Br ZINC001205903501 1091401994 /nfs/dbraw/zinc/40/19/94/1091401994.db2.gz PTAPGENTVCKTHC-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912389 1091408190 /nfs/dbraw/zinc/40/81/90/1091408190.db2.gz ACJDRBMNHGLVDK-WDEREUQCSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912389 1091408193 /nfs/dbraw/zinc/40/81/93/1091408193.db2.gz ACJDRBMNHGLVDK-WDEREUQCSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916137 1091412011 /nfs/dbraw/zinc/41/20/11/1091412011.db2.gz RZMSLSQFDPYQEW-MWLCHTKSSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916137 1091412023 /nfs/dbraw/zinc/41/20/23/1091412023.db2.gz RZMSLSQFDPYQEW-MWLCHTKSSA-N 2 2 317.296 3.378 20 0 DGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205931987 1091420137 /nfs/dbraw/zinc/42/01/37/1091420137.db2.gz NCSFDJXPDSWDKO-GFCCVEGCSA-N 2 2 320.330 3.237 20 0 DGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205931987 1091420141 /nfs/dbraw/zinc/42/01/41/1091420141.db2.gz NCSFDJXPDSWDKO-GFCCVEGCSA-N 2 2 320.330 3.237 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205939900 1091423293 /nfs/dbraw/zinc/42/32/93/1091423293.db2.gz VTHYIZWGDQPYDK-INIZCTEOSA-N 2 2 315.461 3.226 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc2c1NC(C)(C)C=C2 ZINC001205939900 1091423299 /nfs/dbraw/zinc/42/32/99/1091423299.db2.gz VTHYIZWGDQPYDK-INIZCTEOSA-N 2 2 315.461 3.226 20 0 DGADLP CC(C)[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC[NH+](C)CC1 ZINC001139074797 1091439069 /nfs/dbraw/zinc/43/90/69/1091439069.db2.gz UDONOWSUUXHUHO-UHFFFAOYSA-N 2 2 324.852 3.373 20 0 DGADLP CC(C)[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC[NH+](C)CC1 ZINC001139074797 1091439072 /nfs/dbraw/zinc/43/90/72/1091439072.db2.gz UDONOWSUUXHUHO-UHFFFAOYSA-N 2 2 324.852 3.373 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206036647 1091463922 /nfs/dbraw/zinc/46/39/22/1091463922.db2.gz NFBXRAMHVWUYNW-UWVGGRQHSA-N 2 2 318.795 3.131 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206036647 1091463924 /nfs/dbraw/zinc/46/39/24/1091463924.db2.gz NFBXRAMHVWUYNW-UWVGGRQHSA-N 2 2 318.795 3.131 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2c(Cl)ncc3ccccc32)CC[C@@H]1F ZINC001206172589 1091520204 /nfs/dbraw/zinc/52/02/04/1091520204.db2.gz AWDZFFHMGQNPSF-GJZGRUSLSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2c(Cl)ncc3ccccc32)CC[C@@H]1F ZINC001206172589 1091520215 /nfs/dbraw/zinc/52/02/15/1091520215.db2.gz AWDZFFHMGQNPSF-GJZGRUSLSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@H]1F ZINC001206190202 1091528815 /nfs/dbraw/zinc/52/88/15/1091528815.db2.gz ZLAWLPYLMHJRGS-SJORKVTESA-N 2 2 321.440 3.054 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@H]1F ZINC001206190202 1091528821 /nfs/dbraw/zinc/52/88/21/1091528821.db2.gz ZLAWLPYLMHJRGS-SJORKVTESA-N 2 2 321.440 3.054 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@H]1F ZINC001206190197 1091528887 /nfs/dbraw/zinc/52/88/87/1091528887.db2.gz ZLAWLPYLMHJRGS-IAGOWNOFSA-N 2 2 321.440 3.054 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)CC[C@H]1F ZINC001206190197 1091528891 /nfs/dbraw/zinc/52/88/91/1091528891.db2.gz ZLAWLPYLMHJRGS-IAGOWNOFSA-N 2 2 321.440 3.054 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)CC[C@@H]1F ZINC001206212496 1091537836 /nfs/dbraw/zinc/53/78/36/1091537836.db2.gz RUXPJRMQPVQBBI-KBPBESRZSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)CC[C@@H]1F ZINC001206212496 1091537841 /nfs/dbraw/zinc/53/78/41/1091537841.db2.gz RUXPJRMQPVQBBI-KBPBESRZSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cnc3ccccc3c2Cl)CC[C@@H]1F ZINC001206212500 1091538154 /nfs/dbraw/zinc/53/81/54/1091538154.db2.gz RUXPJRMQPVQBBI-UONOGXRCSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2Cl)CC[C@@H]1F ZINC001206212500 1091538163 /nfs/dbraw/zinc/53/81/63/1091538163.db2.gz RUXPJRMQPVQBBI-UONOGXRCSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001206344190 1091586883 /nfs/dbraw/zinc/58/68/83/1091586883.db2.gz OKRKQEVSRPATMW-LJQANCHMSA-N 2 2 319.468 3.330 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001206344190 1091586894 /nfs/dbraw/zinc/58/68/94/1091586894.db2.gz OKRKQEVSRPATMW-LJQANCHMSA-N 2 2 319.468 3.330 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1CC ZINC001206352112 1091590356 /nfs/dbraw/zinc/59/03/56/1091590356.db2.gz OJDPJTWOMMKOAS-GOSISDBHSA-N 2 2 308.441 3.301 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1CC ZINC001206352112 1091590366 /nfs/dbraw/zinc/59/03/66/1091590366.db2.gz OJDPJTWOMMKOAS-GOSISDBHSA-N 2 2 308.441 3.301 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644605 1091632352 /nfs/dbraw/zinc/63/23/52/1091632352.db2.gz LHBSMFDQYQFMPG-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644605 1091632359 /nfs/dbraw/zinc/63/23/59/1091632359.db2.gz LHBSMFDQYQFMPG-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644605 1091632363 /nfs/dbraw/zinc/63/23/63/1091632363.db2.gz LHBSMFDQYQFMPG-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC001139644605 1091632367 /nfs/dbraw/zinc/63/23/67/1091632367.db2.gz LHBSMFDQYQFMPG-PMACEKPBSA-N 2 2 307.441 3.275 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c(C)cc(O)cc2C)C1 ZINC001139717000 1091651574 /nfs/dbraw/zinc/65/15/74/1091651574.db2.gz NWPIYLHCXWCIPD-QGZVFWFLSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c(C)cc(O)cc2C)C1 ZINC001139717000 1091651576 /nfs/dbraw/zinc/65/15/76/1091651576.db2.gz NWPIYLHCXWCIPD-QGZVFWFLSA-N 2 2 312.413 3.366 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Br)cs2)C1 ZINC001206542213 1091662330 /nfs/dbraw/zinc/66/23/30/1091662330.db2.gz VEVIMUCXXCQBEA-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC001206542213 1091662331 /nfs/dbraw/zinc/66/23/31/1091662331.db2.gz VEVIMUCXXCQBEA-CYBMUJFWSA-N 2 2 317.296 3.462 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206550233 1091665716 /nfs/dbraw/zinc/66/57/16/1091665716.db2.gz XXHQSQIGSDMJKY-IBGZPJMESA-N 3 2 312.461 3.132 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206550233 1091665720 /nfs/dbraw/zinc/66/57/20/1091665720.db2.gz XXHQSQIGSDMJKY-IBGZPJMESA-N 3 2 312.461 3.132 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001206615155 1091690727 /nfs/dbraw/zinc/69/07/27/1091690727.db2.gz DGTIUGPUHJUZCJ-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001206615155 1091690732 /nfs/dbraw/zinc/69/07/32/1091690732.db2.gz DGTIUGPUHJUZCJ-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001206624632 1091693705 /nfs/dbraw/zinc/69/37/05/1091693705.db2.gz XUZLEOLVJUOZNS-CYBMUJFWSA-N 2 2 318.852 3.291 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2[nH]c(-c3ccccc3)nc2Cl)C1 ZINC001206624632 1091693707 /nfs/dbraw/zinc/69/37/07/1091693707.db2.gz XUZLEOLVJUOZNS-CYBMUJFWSA-N 2 2 318.852 3.291 20 0 DGADLP Cn1ncc2ccc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)cc21 ZINC001139906842 1091710420 /nfs/dbraw/zinc/71/04/20/1091710420.db2.gz TYQJNKHPQGZVSM-UHFFFAOYSA-N 2 2 322.412 3.012 20 0 DGADLP Cc1cc(C[NH+]2CC(C)(C[NH3+])C2)ccc1OCc1ccccc1 ZINC001206723688 1091713267 /nfs/dbraw/zinc/71/32/67/1091713267.db2.gz SKFZEBFNEGREFQ-UHFFFAOYSA-N 2 2 310.441 3.355 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cccnn3)C[C@@H]21 ZINC001139973348 1091727442 /nfs/dbraw/zinc/72/74/42/1091727442.db2.gz RPMWZKAFYFIXHY-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cccnn3)C[C@@H]21 ZINC001139973348 1091727448 /nfs/dbraw/zinc/72/74/48/1091727448.db2.gz RPMWZKAFYFIXHY-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccnn3)C[C@@H]21 ZINC001139973348 1091727451 /nfs/dbraw/zinc/72/74/51/1091727451.db2.gz RPMWZKAFYFIXHY-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccnn3)C[C@@H]21 ZINC001139973348 1091727458 /nfs/dbraw/zinc/72/74/58/1091727458.db2.gz RPMWZKAFYFIXHY-UFYCRDLUSA-N 2 2 322.456 3.087 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1C(F)(F)F ZINC001206769367 1091731101 /nfs/dbraw/zinc/73/11/01/1091731101.db2.gz ORYXEAYJQVFXKX-WCQYABFASA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1C(F)(F)F ZINC001206769367 1091731111 /nfs/dbraw/zinc/73/11/11/1091731111.db2.gz ORYXEAYJQVFXKX-WCQYABFASA-N 2 2 316.367 3.273 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770841 1091733052 /nfs/dbraw/zinc/73/30/52/1091733052.db2.gz TWKDJBIECRXMPZ-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770841 1091733060 /nfs/dbraw/zinc/73/30/60/1091733060.db2.gz TWKDJBIECRXMPZ-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770842 1091734033 /nfs/dbraw/zinc/73/40/33/1091734033.db2.gz TWKDJBIECRXMPZ-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001206770842 1091734035 /nfs/dbraw/zinc/73/40/35/1091734035.db2.gz TWKDJBIECRXMPZ-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001140027890 1091744339 /nfs/dbraw/zinc/74/43/39/1091744339.db2.gz FXDYWYVRHIDLQG-UHFFFAOYSA-N 3 2 312.461 3.098 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001140027890 1091744343 /nfs/dbraw/zinc/74/43/43/1091744343.db2.gz FXDYWYVRHIDLQG-UHFFFAOYSA-N 3 2 312.461 3.098 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001140027090 1091744842 /nfs/dbraw/zinc/74/48/42/1091744842.db2.gz XYJZVYMQCRSOBR-OAHLLOKOSA-N 2 2 317.433 3.210 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc(C)ccn4)C[C@@H]3C2)cc1 ZINC001206848577 1091767145 /nfs/dbraw/zinc/76/71/45/1091767145.db2.gz GSFDCESIPFREQH-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP COc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)ccc1C ZINC001140162551 1091787894 /nfs/dbraw/zinc/78/78/94/1091787894.db2.gz ZCMXVHRICGIQQG-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP Cc1ccc2n[nH]c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)c2c1 ZINC001140331332 1091828086 /nfs/dbraw/zinc/82/80/86/1091828086.db2.gz FIEMROOFYCJIMO-OAHLLOKOSA-N 2 2 322.412 3.228 20 0 DGADLP Cc1ccc2n[nH]c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)c2c1 ZINC001140331332 1091828090 /nfs/dbraw/zinc/82/80/90/1091828090.db2.gz FIEMROOFYCJIMO-OAHLLOKOSA-N 2 2 322.412 3.228 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH+]cc2ccccn21 ZINC001207052432 1091831327 /nfs/dbraw/zinc/83/13/27/1091831327.db2.gz BRELLYXDXOYGLX-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH+]cc2ccccn21 ZINC001207052432 1091831335 /nfs/dbraw/zinc/83/13/35/1091831335.db2.gz BRELLYXDXOYGLX-QGZVFWFLSA-N 2 2 320.440 3.041 20 0 DGADLP COCC[N@H+](Cc1cccc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC001207131142 1091855386 /nfs/dbraw/zinc/85/53/86/1091855386.db2.gz XNTIHVMZAWUGLM-UHFFFAOYSA-N 2 2 312.404 3.167 20 0 DGADLP COCC[N@@H+](Cc1cccc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC001207131142 1091855393 /nfs/dbraw/zinc/85/53/93/1091855393.db2.gz XNTIHVMZAWUGLM-UHFFFAOYSA-N 2 2 312.404 3.167 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3nc(Cl)ccc3C)CC2)cc[nH+]1 ZINC001140448741 1091869447 /nfs/dbraw/zinc/86/94/47/1091869447.db2.gz PHPCZUJFVNZQEN-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716289262 1091953786 /nfs/dbraw/zinc/95/37/86/1091953786.db2.gz KABWPKZPUQXBJX-MRXNPFEDSA-N 2 2 312.432 3.478 20 0 DGADLP CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803573 1092008164 /nfs/dbraw/zinc/00/81/64/1092008164.db2.gz RTWRESOPWSBIJY-ZDUSSCGKSA-N 2 2 315.417 3.117 20 0 DGADLP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803573 1092008174 /nfs/dbraw/zinc/00/81/74/1092008174.db2.gz RTWRESOPWSBIJY-ZDUSSCGKSA-N 2 2 315.417 3.117 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807238 1092014486 /nfs/dbraw/zinc/01/44/86/1092014486.db2.gz ROIHBSNSPCWXAX-INIZCTEOSA-N 2 2 320.440 3.442 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC001207822741 1092108980 /nfs/dbraw/zinc/10/89/80/1092108980.db2.gz DFUBDHUVTOEIPX-MRXNPFEDSA-N 2 2 311.429 3.166 20 0 DGADLP c1cn2ccc(CN3CCC4(CCC[N@H+]4CC4CC4)CC3)cc2[nH+]1 ZINC001141048106 1092119988 /nfs/dbraw/zinc/11/99/88/1092119988.db2.gz FRAYMLFTXRGOHJ-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP c1cn2ccc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc2[nH+]1 ZINC001141048106 1092119995 /nfs/dbraw/zinc/11/99/95/1092119995.db2.gz FRAYMLFTXRGOHJ-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1Cc2ccccc2O1 ZINC001141245797 1092191420 /nfs/dbraw/zinc/19/14/20/1092191420.db2.gz RSBHINFDXMAWGA-IBGZPJMESA-N 2 2 319.408 3.308 20 0 DGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1Cc2ccccc2O1 ZINC001141245797 1092191426 /nfs/dbraw/zinc/19/14/26/1092191426.db2.gz RSBHINFDXMAWGA-IBGZPJMESA-N 2 2 319.408 3.308 20 0 DGADLP c1cn(Cc2noc3c2C[N@H+](CCCC2CCCC2)CC3)c[nH+]1 ZINC001208088734 1092193476 /nfs/dbraw/zinc/19/34/76/1092193476.db2.gz NIXFREFZKUZHFI-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP c1cn(Cc2noc3c2C[N@@H+](CCCC2CCCC2)CC3)c[nH+]1 ZINC001208088734 1092193478 /nfs/dbraw/zinc/19/34/78/1092193478.db2.gz NIXFREFZKUZHFI-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP CN(C)c1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001141266431 1092196040 /nfs/dbraw/zinc/19/60/40/1092196040.db2.gz SJOKHSJFMAERJF-UHFFFAOYSA-N 2 2 319.468 3.151 20 0 DGADLP COc1cccc(C[N@H+](C)CC2(C[NH+](C)C)CCCC2)c1OC ZINC001208187667 1092247862 /nfs/dbraw/zinc/24/78/62/1092247862.db2.gz NJRDWZPRZMQMST-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP COc1cccc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)c1OC ZINC001208187667 1092247866 /nfs/dbraw/zinc/24/78/66/1092247866.db2.gz NJRDWZPRZMQMST-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP C[NH+](C)CC1(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CCCC1 ZINC001208188174 1092251874 /nfs/dbraw/zinc/25/18/74/1092251874.db2.gz UQABVSJCLIAFCP-IBGZPJMESA-N 2 2 316.489 3.052 20 0 DGADLP C[NH+](C)CC1(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CCCC1 ZINC001208188174 1092251883 /nfs/dbraw/zinc/25/18/83/1092251883.db2.gz UQABVSJCLIAFCP-IBGZPJMESA-N 2 2 316.489 3.052 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4cc(F)ccc4n3)C[C@H]2C1 ZINC001141652331 1092310564 /nfs/dbraw/zinc/31/05/64/1092310564.db2.gz JWLMLOVDZCRVAK-HZPDHXFCSA-N 2 2 313.420 3.148 20 0 DGADLP Cc1ccc(C(C)(C)Nc2[nH+]cccc2N2CC[NH2+]CC2)cc1 ZINC001168800630 1092370193 /nfs/dbraw/zinc/37/01/93/1092370193.db2.gz ZNEKOJIXNBLMBC-UHFFFAOYSA-N 2 2 310.445 3.147 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(Cl)cc(O)cc1Cl)CC2 ZINC001142118483 1092414111 /nfs/dbraw/zinc/41/41/11/1092414111.db2.gz NJHTYAXNUKDNFJ-UHFFFAOYSA-N 2 2 315.244 3.227 20 0 DGADLP CC/C=C\CC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001208727542 1092476372 /nfs/dbraw/zinc/47/63/72/1092476372.db2.gz NZFSDJKMYPWUPR-PTZVLDCSSA-N 2 2 304.482 3.456 20 0 DGADLP CC/C=C\CC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001208727542 1092476375 /nfs/dbraw/zinc/47/63/75/1092476375.db2.gz NZFSDJKMYPWUPR-PTZVLDCSSA-N 2 2 304.482 3.456 20 0 DGADLP CC/C=C\CC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208727542 1092476384 /nfs/dbraw/zinc/47/63/84/1092476384.db2.gz NZFSDJKMYPWUPR-PTZVLDCSSA-N 2 2 304.482 3.456 20 0 DGADLP CC/C=C\CC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208727542 1092476389 /nfs/dbraw/zinc/47/63/89/1092476389.db2.gz NZFSDJKMYPWUPR-PTZVLDCSSA-N 2 2 304.482 3.456 20 0 DGADLP [NH3+]C1(c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)CCC1 ZINC001169003415 1092483064 /nfs/dbraw/zinc/48/30/64/1092483064.db2.gz FTUFDBQBMASRMB-UHFFFAOYSA-N 2 2 306.413 3.327 20 0 DGADLP C[N@@H+]1CC[C@H](c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)C1 ZINC001169011190 1092487725 /nfs/dbraw/zinc/48/77/25/1092487725.db2.gz PXLYKAVIRYEBAT-KRWDZBQOSA-N 2 2 320.440 3.408 20 0 DGADLP C[N@H+]1CC[C@H](c2ccc(NCCc3cn4ccccc4[nH+]3)cc2)C1 ZINC001169011190 1092487731 /nfs/dbraw/zinc/48/77/31/1092487731.db2.gz PXLYKAVIRYEBAT-KRWDZBQOSA-N 2 2 320.440 3.408 20 0 DGADLP Cc1ccsc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001204019503 1092487766 /nfs/dbraw/zinc/48/77/66/1092487766.db2.gz GTULRRYXXWIYKN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccsc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001204019503 1092487775 /nfs/dbraw/zinc/48/77/75/1092487775.db2.gz GTULRRYXXWIYKN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001204019503 1092487782 /nfs/dbraw/zinc/48/77/82/1092487782.db2.gz GTULRRYXXWIYKN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001204019503 1092487790 /nfs/dbraw/zinc/48/77/90/1092487790.db2.gz GTULRRYXXWIYKN-IYBDPMFKSA-N 2 2 313.470 3.015 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814995 1092522468 /nfs/dbraw/zinc/52/24/68/1092522468.db2.gz MZLQOWYDCHWGQA-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814995 1092522482 /nfs/dbraw/zinc/52/24/82/1092522482.db2.gz MZLQOWYDCHWGQA-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814995 1092522496 /nfs/dbraw/zinc/52/24/96/1092522496.db2.gz MZLQOWYDCHWGQA-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCOCc3ccccc3)C[C@H]21 ZINC001208814995 1092522507 /nfs/dbraw/zinc/52/25/07/1092522507.db2.gz MZLQOWYDCHWGQA-WOJBJXKFSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117306 1092540093 /nfs/dbraw/zinc/54/00/93/1092540093.db2.gz XWDADKYMNBWQOE-ZJOBFFGXSA-N 2 2 305.853 3.401 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccncc1Cl)C1CC1)C2 ZINC001169117306 1092540099 /nfs/dbraw/zinc/54/00/99/1092540099.db2.gz XWDADKYMNBWQOE-ZJOBFFGXSA-N 2 2 305.853 3.401 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C[C@H]2CCC=CO2)CC1 ZINC001208884804 1092563077 /nfs/dbraw/zinc/56/30/77/1092563077.db2.gz HSHXVZYJEMGLAM-LJQANCHMSA-N 2 2 318.436 3.415 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C[C@H]2CCC=CO2)CC1 ZINC001208884804 1092563086 /nfs/dbraw/zinc/56/30/86/1092563086.db2.gz HSHXVZYJEMGLAM-LJQANCHMSA-N 2 2 318.436 3.415 20 0 DGADLP c1ccc(-c2cccc(C[NH+]3CCC([NH+]4CCC4)CC3)c2)nc1 ZINC001142852698 1092568332 /nfs/dbraw/zinc/56/83/32/1092568332.db2.gz JCTMNAIWZDMQGP-UHFFFAOYSA-N 2 2 307.441 3.419 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)CC1CCN(c2ccccc2)CC1 ZINC001208910767 1092581332 /nfs/dbraw/zinc/58/13/32/1092581332.db2.gz KPBWFKSUMUNKFL-UHFFFAOYSA-N 2 2 312.461 3.122 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)CC1CCN(c2ccccc2)CC1 ZINC001208910767 1092581342 /nfs/dbraw/zinc/58/13/42/1092581342.db2.gz KPBWFKSUMUNKFL-UHFFFAOYSA-N 2 2 312.461 3.122 20 0 DGADLP F[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933332 1092595359 /nfs/dbraw/zinc/59/53/59/1092595359.db2.gz DOTFEQSSJOOLPW-CADBVGFASA-N 2 2 302.437 3.188 20 0 DGADLP F[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933332 1092595365 /nfs/dbraw/zinc/59/53/65/1092595365.db2.gz DOTFEQSSJOOLPW-CADBVGFASA-N 2 2 302.437 3.188 20 0 DGADLP F[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933332 1092595373 /nfs/dbraw/zinc/59/53/73/1092595373.db2.gz DOTFEQSSJOOLPW-CADBVGFASA-N 2 2 302.437 3.188 20 0 DGADLP F[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]2C[C@@H]21 ZINC001208933332 1092595383 /nfs/dbraw/zinc/59/53/83/1092595383.db2.gz DOTFEQSSJOOLPW-CADBVGFASA-N 2 2 302.437 3.188 20 0 DGADLP CC[C@@H]1COCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940042 1092603857 /nfs/dbraw/zinc/60/38/57/1092603857.db2.gz NXXWEYRQEGAWMP-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1COCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940042 1092603863 /nfs/dbraw/zinc/60/38/63/1092603863.db2.gz NXXWEYRQEGAWMP-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1COCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940042 1092603867 /nfs/dbraw/zinc/60/38/67/1092603867.db2.gz NXXWEYRQEGAWMP-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP CC[C@@H]1COCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940042 1092603872 /nfs/dbraw/zinc/60/38/72/1092603872.db2.gz NXXWEYRQEGAWMP-RBUKOAKNSA-N 2 2 302.462 3.009 20 0 DGADLP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946295 1092605164 /nfs/dbraw/zinc/60/51/64/1092605164.db2.gz UMOIBRNEXGNMRP-UXHICEINSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946295 1092605170 /nfs/dbraw/zinc/60/51/70/1092605170.db2.gz UMOIBRNEXGNMRP-UXHICEINSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001208946295 1092605174 /nfs/dbraw/zinc/60/51/74/1092605174.db2.gz UMOIBRNEXGNMRP-UXHICEINSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001208946295 1092605179 /nfs/dbraw/zinc/60/51/79/1092605179.db2.gz UMOIBRNEXGNMRP-UXHICEINSA-N 2 2 316.489 3.255 20 0 DGADLP FC1(F)CC2(C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208948304 1092606220 /nfs/dbraw/zinc/60/62/20/1092606220.db2.gz PNBHAVBVSPCIES-INIZCTEOSA-N 2 2 306.400 3.240 20 0 DGADLP FC1(F)CC2(C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208948304 1092606223 /nfs/dbraw/zinc/60/62/23/1092606223.db2.gz PNBHAVBVSPCIES-INIZCTEOSA-N 2 2 306.400 3.240 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209247127 1092713225 /nfs/dbraw/zinc/71/32/25/1092713225.db2.gz IBBNZOHDEIAUPF-HNNXBMFYSA-N 2 2 318.367 3.364 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209247127 1092713230 /nfs/dbraw/zinc/71/32/30/1092713230.db2.gz IBBNZOHDEIAUPF-HNNXBMFYSA-N 2 2 318.367 3.364 20 0 DGADLP CCOC(=O)CCCCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209352968 1092742427 /nfs/dbraw/zinc/74/24/27/1092742427.db2.gz BGOLPNWAVKKSIO-UHFFFAOYSA-N 2 2 312.498 3.305 20 0 DGADLP CCOC(=O)CCCCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209352968 1092742433 /nfs/dbraw/zinc/74/24/33/1092742433.db2.gz BGOLPNWAVKKSIO-UHFFFAOYSA-N 2 2 312.498 3.305 20 0 DGADLP Fc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001209687889 1092876763 /nfs/dbraw/zinc/87/67/63/1092876763.db2.gz AOLJMNMFFYZUHO-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP c1[nH]c2ccc(Nc3ccc(CC[NH+]4CCOCC4)cc3)cc2[nH+]1 ZINC001209848599 1092946984 /nfs/dbraw/zinc/94/69/84/1092946984.db2.gz MGHOSIBGDMSVHG-UHFFFAOYSA-N 2 2 322.412 3.181 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC12CN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682456 1093130070 /nfs/dbraw/zinc/13/00/70/1093130070.db2.gz MLEFFUXDFJAMJA-INIZCTEOSA-N 2 2 304.482 3.195 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC12CN(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682456 1093130075 /nfs/dbraw/zinc/13/00/75/1093130075.db2.gz MLEFFUXDFJAMJA-INIZCTEOSA-N 2 2 304.482 3.195 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC12CN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682456 1093130079 /nfs/dbraw/zinc/13/00/79/1093130079.db2.gz MLEFFUXDFJAMJA-INIZCTEOSA-N 2 2 304.482 3.195 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC12CN(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682456 1093130082 /nfs/dbraw/zinc/13/00/82/1093130082.db2.gz MLEFFUXDFJAMJA-INIZCTEOSA-N 2 2 304.482 3.195 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)c[nH+]1 ZINC001276682580 1093132439 /nfs/dbraw/zinc/13/24/39/1093132439.db2.gz QZCGHPPWVNUMSZ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP Cc1[nH]c(CN2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)c[nH+]1 ZINC001276682580 1093132444 /nfs/dbraw/zinc/13/24/44/1093132444.db2.gz QZCGHPPWVNUMSZ-LJQANCHMSA-N 2 2 316.493 3.339 20 0 DGADLP Cc1cc(C[NH+]2CC(C[NH3+])C2)cc(C)c1OCc1ccccc1 ZINC001210546648 1093203709 /nfs/dbraw/zinc/20/37/09/1093203709.db2.gz ZFARVHHBCFPZPW-UHFFFAOYSA-N 2 2 310.441 3.273 20 0 DGADLP [NH3+][C@@H]1NC(C[N@H+](Cc2ccccc2)C2CCCCC2)=CS1 ZINC001210581251 1093217536 /nfs/dbraw/zinc/21/75/36/1093217536.db2.gz QGYZMSYBZBMADH-QGZVFWFLSA-N 2 2 303.475 3.241 20 0 DGADLP [NH3+][C@@H]1NC(C[N@@H+](Cc2ccccc2)C2CCCCC2)=CS1 ZINC001210581251 1093217544 /nfs/dbraw/zinc/21/75/44/1093217544.db2.gz QGYZMSYBZBMADH-QGZVFWFLSA-N 2 2 303.475 3.241 20 0 DGADLP C[NH+]1CCC(n2cc(Nc3cccc(-n4cc[nH+]c4)c3)cn2)CC1 ZINC001210755474 1093272212 /nfs/dbraw/zinc/27/22/12/1093272212.db2.gz LQKRKXBWXSMJNB-UHFFFAOYSA-N 2 2 322.416 3.079 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406216 1093433560 /nfs/dbraw/zinc/43/35/60/1093433560.db2.gz SIBPDUAWIFEXHO-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406216 1093433564 /nfs/dbraw/zinc/43/35/64/1093433564.db2.gz SIBPDUAWIFEXHO-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP [NH3+]C1CC[NH+](Cc2ccccc2-c2cc(F)c(O)cc2F)CC1 ZINC001211360856 1093472330 /nfs/dbraw/zinc/47/23/30/1093472330.db2.gz YCRYBOCOKRXJNM-UHFFFAOYSA-N 2 2 318.367 3.261 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001119963094 1094323728 /nfs/dbraw/zinc/32/37/28/1094323728.db2.gz BSVVQNNNABVARD-PBHICJAKSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001119963094 1094323736 /nfs/dbraw/zinc/32/37/36/1094323736.db2.gz BSVVQNNNABVARD-PBHICJAKSA-N 2 2 322.880 3.114 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC001170797735 1094420753 /nfs/dbraw/zinc/42/07/53/1094420753.db2.gz YNPJGKYPBTTYGF-GOSISDBHSA-N 2 2 320.452 3.257 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC001217700007 1094475814 /nfs/dbraw/zinc/47/58/14/1094475814.db2.gz VXKQQFJZUSFJMV-AWEZNQCLSA-N 2 2 314.776 3.016 20 0 DGADLP Cc1ccc(N2CCC[C@H](Oc3cccc4c3CC[NH2+]C4)C2)[nH+]c1 ZINC001218389678 1094745368 /nfs/dbraw/zinc/74/53/68/1094745368.db2.gz CDKOSVUAORQMKY-KRWDZBQOSA-N 2 2 323.440 3.084 20 0 DGADLP CC(C)(C)c1cccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1 ZINC001218900277 1094899916 /nfs/dbraw/zinc/89/99/16/1094899916.db2.gz HGJAIYRARHPLKZ-QGZVFWFLSA-N 2 2 311.429 3.195 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2F)CC[NH2+]1 ZINC001246074051 1094991974 /nfs/dbraw/zinc/99/19/74/1094991974.db2.gz ALUBKTFHJVVDJX-STQMWFEESA-N 2 2 315.230 3.208 20 0 DGADLP Cc1[nH+]c2c(n1[C@H]1CCc3c(Cl)cccc3C1)CC[NH2+]CC2 ZINC001171036679 1095171024 /nfs/dbraw/zinc/17/10/24/1095171024.db2.gz HNTLSBCSLOEVPC-AWEZNQCLSA-N 2 2 315.848 3.263 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)o2)CC[NH2+]1 ZINC001246324189 1095211564 /nfs/dbraw/zinc/21/15/64/1095211564.db2.gz FYYLBELZHPDGRJ-VXGBXAGGSA-N 2 2 315.255 3.443 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171056888 1095218931 /nfs/dbraw/zinc/21/89/31/1095218931.db2.gz ORHGPYWOHLUPAE-HNNXBMFYSA-N 2 2 303.837 3.416 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171056888 1095218940 /nfs/dbraw/zinc/21/89/40/1095218940.db2.gz ORHGPYWOHLUPAE-HNNXBMFYSA-N 2 2 303.837 3.416 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001171061608 1095232542 /nfs/dbraw/zinc/23/25/42/1095232542.db2.gz WEDFJQBUCALVJU-CYBMUJFWSA-N 2 2 310.228 3.337 20 0 DGADLP FC1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)COC4)CC2)CC1 ZINC001137028166 1095294216 /nfs/dbraw/zinc/29/42/16/1095294216.db2.gz DAJLKJKKWXCZOA-UHFFFAOYSA-N 2 2 318.436 3.115 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001338447469 1095308460 /nfs/dbraw/zinc/30/84/60/1095308460.db2.gz BMTVQZKMUATWDH-KBAYOESNSA-N 2 2 315.461 3.052 20 0 DGADLP Cn1c[nH+]c2ccc(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)cc21 ZINC001171092496 1095311502 /nfs/dbraw/zinc/31/15/02/1095311502.db2.gz ADHSKPZWSMZTPP-CYBMUJFWSA-N 2 2 316.408 3.333 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150602 1095470909 /nfs/dbraw/zinc/47/09/09/1095470909.db2.gz SUVZMJVKRXGFQA-ZWKOTPCHSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001116150602 1095470914 /nfs/dbraw/zinc/47/09/14/1095470914.db2.gz SUVZMJVKRXGFQA-ZWKOTPCHSA-N 2 2 322.880 3.324 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2c1 ZINC001222244388 1095509417 /nfs/dbraw/zinc/50/94/17/1095509417.db2.gz XLZIJRQSSUAANV-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2c1 ZINC001222244388 1095509425 /nfs/dbraw/zinc/50/94/25/1095509425.db2.gz XLZIJRQSSUAANV-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222244492 1095509852 /nfs/dbraw/zinc/50/98/52/1095509852.db2.gz ZOMMNQYRROKYLN-IBGZPJMESA-N 2 2 302.462 3.439 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222244492 1095509859 /nfs/dbraw/zinc/50/98/59/1095509859.db2.gz ZOMMNQYRROKYLN-IBGZPJMESA-N 2 2 302.462 3.439 20 0 DGADLP CCc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc(CC)c1O ZINC001222247697 1095511407 /nfs/dbraw/zinc/51/14/07/1095511407.db2.gz IJYWCSFDEFLPHR-IBGZPJMESA-N 2 2 302.462 3.235 20 0 DGADLP CCc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc(CC)c1O ZINC001222247697 1095511418 /nfs/dbraw/zinc/51/14/18/1095511418.db2.gz IJYWCSFDEFLPHR-IBGZPJMESA-N 2 2 302.462 3.235 20 0 DGADLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272416 1095522198 /nfs/dbraw/zinc/52/21/98/1095522198.db2.gz TYWWOANIDMVSMY-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222272416 1095522211 /nfs/dbraw/zinc/52/22/11/1095522211.db2.gz TYWWOANIDMVSMY-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222288036 1095532426 /nfs/dbraw/zinc/53/24/26/1095532426.db2.gz VBFGZQILIOKDDY-LJQANCHMSA-N 2 2 302.462 3.419 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222288036 1095532440 /nfs/dbraw/zinc/53/24/40/1095532440.db2.gz VBFGZQILIOKDDY-LJQANCHMSA-N 2 2 302.462 3.419 20 0 DGADLP c1cncc(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353714 1095567757 /nfs/dbraw/zinc/56/77/57/1095567757.db2.gz FYYZVIDMEYTJEV-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222353714 1095567766 /nfs/dbraw/zinc/56/77/66/1095567766.db2.gz FYYZVIDMEYTJEV-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385420 1095583617 /nfs/dbraw/zinc/58/36/17/1095583617.db2.gz MPEWEQDGJURTIX-LJQANCHMSA-N 2 2 302.462 3.236 20 0 DGADLP COc1ccccc1CCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385420 1095583621 /nfs/dbraw/zinc/58/36/21/1095583621.db2.gz MPEWEQDGJURTIX-LJQANCHMSA-N 2 2 302.462 3.236 20 0 DGADLP Fc1ccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222385384 1095584780 /nfs/dbraw/zinc/58/47/80/1095584780.db2.gz LSNLGRKRKKDAFO-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1ccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222385384 1095584791 /nfs/dbraw/zinc/58/47/91/1095584791.db2.gz LSNLGRKRKKDAFO-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP CCc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001144321816 1095603852 /nfs/dbraw/zinc/60/38/52/1095603852.db2.gz ZWCNJSFPFBXMGS-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001144321816 1095603855 /nfs/dbraw/zinc/60/38/55/1095603855.db2.gz ZWCNJSFPFBXMGS-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001144321816 1095603857 /nfs/dbraw/zinc/60/38/57/1095603857.db2.gz ZWCNJSFPFBXMGS-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001144321816 1095603860 /nfs/dbraw/zinc/60/38/60/1095603860.db2.gz ZWCNJSFPFBXMGS-OYRHEFFESA-N 2 2 321.468 3.208 20 0 DGADLP CCN(C)c1cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)nc[nH+]1 ZINC001171163833 1095611310 /nfs/dbraw/zinc/61/13/10/1095611310.db2.gz FQRANPXDYKQCPU-AWEZNQCLSA-N 2 2 323.444 3.075 20 0 DGADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccn4cc[nH+]c4c3)c2c1 ZINC001171167967 1095622058 /nfs/dbraw/zinc/62/20/58/1095622058.db2.gz SGNSBBBTRRJGNX-CQSZACIVSA-N 2 2 304.397 3.476 20 0 DGADLP Fc1cc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c(F)c(F)c1F ZINC001222457268 1095623653 /nfs/dbraw/zinc/62/36/53/1095623653.db2.gz FUSNKLGNAPUEOU-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](F)c1ccccc1 ZINC001116650157 1095626090 /nfs/dbraw/zinc/62/60/90/1095626090.db2.gz LUXJMONOEXVNCO-MRXNPFEDSA-N 2 2 310.332 3.225 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112210 1095713704 /nfs/dbraw/zinc/71/37/04/1095713704.db2.gz HIMNECNYKFOUON-RDJZCZTQSA-N 2 2 304.482 3.353 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC001117112210 1095713716 /nfs/dbraw/zinc/71/37/16/1095713716.db2.gz HIMNECNYKFOUON-RDJZCZTQSA-N 2 2 304.482 3.353 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001222696695 1095725598 /nfs/dbraw/zinc/72/55/98/1095725598.db2.gz FTQIHTNRRQPOFJ-UXPWSPDFSA-N 2 2 316.489 3.051 20 0 DGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001222696695 1095725611 /nfs/dbraw/zinc/72/56/11/1095725611.db2.gz FTQIHTNRRQPOFJ-UXPWSPDFSA-N 2 2 316.489 3.051 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001137750114 1095729452 /nfs/dbraw/zinc/72/94/52/1095729452.db2.gz FTTPBURQYMUULU-GJZGRUSLSA-N 2 2 324.900 3.221 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001137750114 1095729462 /nfs/dbraw/zinc/72/94/62/1095729462.db2.gz FTTPBURQYMUULU-GJZGRUSLSA-N 2 2 324.900 3.221 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001137750114 1095729470 /nfs/dbraw/zinc/72/94/70/1095729470.db2.gz FTTPBURQYMUULU-GJZGRUSLSA-N 2 2 324.900 3.221 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001137750114 1095729479 /nfs/dbraw/zinc/72/94/79/1095729479.db2.gz FTTPBURQYMUULU-GJZGRUSLSA-N 2 2 324.900 3.221 20 0 DGADLP c1cn(C2CC[NH+](Cc3cccc(-c4cncnc4)c3)CC2)c[nH+]1 ZINC001137770400 1095735580 /nfs/dbraw/zinc/73/55/80/1095735580.db2.gz KRBSCGNNKXATIV-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137771819 1095738699 /nfs/dbraw/zinc/73/86/99/1095738699.db2.gz WPHXBGWVJXVPDY-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137771819 1095738712 /nfs/dbraw/zinc/73/87/12/1095738712.db2.gz WPHXBGWVJXVPDY-UHFFFAOYSA-N 2 2 322.456 3.202 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001137848104 1095762008 /nfs/dbraw/zinc/76/20/08/1095762008.db2.gz STSDJMNQGMRDRD-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C)cc1F ZINC001339955770 1095792159 /nfs/dbraw/zinc/79/21/59/1095792159.db2.gz AITCJCCUXHZLAG-UHFFFAOYSA-N 2 2 310.332 3.276 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001138005283 1095826712 /nfs/dbraw/zinc/82/67/12/1095826712.db2.gz UYOKEUMQKLTHDZ-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cncn2C(C)C)[nH+]1 ZINC001118099327 1095936869 /nfs/dbraw/zinc/93/68/69/1095936869.db2.gz KBLLJFYXVAGKNZ-MRXNPFEDSA-N 2 2 313.449 3.244 20 0 DGADLP C[NH2+]CC[C@H](C)[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001246853563 1096048531 /nfs/dbraw/zinc/04/85/31/1096048531.db2.gz WRJUXSNTLINGBH-LBPRGKRZSA-N 2 2 316.276 3.113 20 0 DGADLP C[N@@H+](Cc1ccnc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001118874385 1096095895 /nfs/dbraw/zinc/09/58/95/1096095895.db2.gz ZOPRHMCBDGLISM-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccnc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001118874385 1096095905 /nfs/dbraw/zinc/09/59/05/1096095905.db2.gz ZOPRHMCBDGLISM-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccnc(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001118874385 1096095911 /nfs/dbraw/zinc/09/59/11/1096095911.db2.gz ZOPRHMCBDGLISM-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccnc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001118874385 1096095923 /nfs/dbraw/zinc/09/59/23/1096095923.db2.gz ZOPRHMCBDGLISM-SFHVURJKSA-N 2 2 313.420 3.175 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2)[nH+]c1C ZINC001119316253 1096164419 /nfs/dbraw/zinc/16/44/19/1096164419.db2.gz GVTXXCPLORMSSZ-UHFFFAOYSA-N 2 2 324.428 3.294 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171354111 1096526595 /nfs/dbraw/zinc/52/65/95/1096526595.db2.gz JVBWUXQVPHBQQO-GJZGRUSLSA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171354111 1096526598 /nfs/dbraw/zinc/52/65/98/1096526598.db2.gz JVBWUXQVPHBQQO-GJZGRUSLSA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc2c(cc1F)C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171494169 1096900236 /nfs/dbraw/zinc/90/02/36/1096900236.db2.gz QKNKSRARMYDQPY-UKRRQHHQSA-N 2 2 317.383 3.358 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+]CC(=O)Cc2ccc(F)cc2)CC1(C)C ZINC001171626020 1096938523 /nfs/dbraw/zinc/93/85/23/1096938523.db2.gz SHJWJOZCALTDSG-UHFFFAOYSA-N 2 2 320.452 3.178 20 0 DGADLP CCOC(=O)C[N@H+](C1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642144 1096949200 /nfs/dbraw/zinc/94/92/00/1096949200.db2.gz YOWCUDRNGVSCKR-UHFFFAOYSA-N 2 2 324.509 3.446 20 0 DGADLP CCOC(=O)C[N@@H+](C1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642144 1096949203 /nfs/dbraw/zinc/94/92/03/1096949203.db2.gz YOWCUDRNGVSCKR-UHFFFAOYSA-N 2 2 324.509 3.446 20 0 DGADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(C[C@H](F)CO3)CC2)CC1(C)C ZINC001171643964 1096950166 /nfs/dbraw/zinc/95/01/66/1096950166.db2.gz YYKFPIFBMZMKSZ-AWEZNQCLSA-N 2 2 312.473 3.231 20 0 DGADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(C[C@@H](F)CO3)CC2)CC1(C)C ZINC001171643968 1096950224 /nfs/dbraw/zinc/95/02/24/1096950224.db2.gz YYKFPIFBMZMKSZ-CQSZACIVSA-N 2 2 312.473 3.231 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991205 1097016255 /nfs/dbraw/zinc/01/62/55/1097016255.db2.gz TZONPPMAHDGZAD-MOPGFXCFSA-N 2 2 314.473 3.483 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991205 1097016261 /nfs/dbraw/zinc/01/62/61/1097016261.db2.gz TZONPPMAHDGZAD-MOPGFXCFSA-N 2 2 314.473 3.483 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991205 1097016267 /nfs/dbraw/zinc/01/62/67/1097016267.db2.gz TZONPPMAHDGZAD-MOPGFXCFSA-N 2 2 314.473 3.483 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991205 1097016274 /nfs/dbraw/zinc/01/62/74/1097016274.db2.gz TZONPPMAHDGZAD-MOPGFXCFSA-N 2 2 314.473 3.483 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970091 1097020736 /nfs/dbraw/zinc/02/07/36/1097020736.db2.gz YJTFRTDKJVHGLZ-IBGZPJMESA-N 3 2 317.521 3.489 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171970091 1097020741 /nfs/dbraw/zinc/02/07/41/1097020741.db2.gz YJTFRTDKJVHGLZ-IBGZPJMESA-N 3 2 317.521 3.489 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970091 1097020747 /nfs/dbraw/zinc/02/07/47/1097020747.db2.gz YJTFRTDKJVHGLZ-IBGZPJMESA-N 3 2 317.521 3.489 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970091 1097020751 /nfs/dbraw/zinc/02/07/51/1097020751.db2.gz YJTFRTDKJVHGLZ-IBGZPJMESA-N 3 2 317.521 3.489 20 0 DGADLP CCN1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980110 1097028278 /nfs/dbraw/zinc/02/82/78/1097028278.db2.gz PDECEDZDKVDOHX-RTBURBONSA-N 2 2 315.505 3.113 20 0 DGADLP CCN1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171980110 1097028283 /nfs/dbraw/zinc/02/82/83/1097028283.db2.gz PDECEDZDKVDOHX-RTBURBONSA-N 2 2 315.505 3.113 20 0 DGADLP [NH3+][C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)CC[C@@H]1F ZINC001206155987 1097040488 /nfs/dbraw/zinc/04/04/88/1097040488.db2.gz ODLNBZKYFOXEBT-KBPBESRZSA-N 2 2 305.224 3.297 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)CC[C@@H]1F ZINC001206155987 1097040492 /nfs/dbraw/zinc/04/04/92/1097040492.db2.gz ODLNBZKYFOXEBT-KBPBESRZSA-N 2 2 305.224 3.297 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068962 1097045791 /nfs/dbraw/zinc/04/57/91/1097045791.db2.gz MJVCNSWBOQYVEA-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCO1 ZINC001172068962 1097045798 /nfs/dbraw/zinc/04/57/98/1097045798.db2.gz MJVCNSWBOQYVEA-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCO1 ZINC001172068962 1097045803 /nfs/dbraw/zinc/04/58/03/1097045803.db2.gz MJVCNSWBOQYVEA-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172068962 1097045810 /nfs/dbraw/zinc/04/58/10/1097045810.db2.gz MJVCNSWBOQYVEA-LMCOJAPRSA-N 2 2 314.473 3.293 20 0 DGADLP c1ccc(C[NH+]2CC(C[NH2+][C@H]3CSc4ccccc4C3)C2)cc1 ZINC001172182988 1097066790 /nfs/dbraw/zinc/06/67/90/1097066790.db2.gz ATTRUFJKBPHVNW-LJQANCHMSA-N 2 2 324.493 3.425 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC001172279408 1097090892 /nfs/dbraw/zinc/09/08/92/1097090892.db2.gz MSTMADJWWQWUIS-SFHVURJKSA-N 2 2 320.452 3.256 20 0 DGADLP CC[N@H+](Cc1ccccc1F)C1CC[NH+](CCCOC)CC1 ZINC001172253636 1097091884 /nfs/dbraw/zinc/09/18/84/1097091884.db2.gz YHDQSPRCJXQAKL-UHFFFAOYSA-N 2 2 308.441 3.149 20 0 DGADLP CC[N@@H+](Cc1ccccc1F)C1CC[NH+](CCCOC)CC1 ZINC001172253636 1097091887 /nfs/dbraw/zinc/09/18/87/1097091887.db2.gz YHDQSPRCJXQAKL-UHFFFAOYSA-N 2 2 308.441 3.149 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163275 1097093413 /nfs/dbraw/zinc/09/34/13/1097093413.db2.gz BIRUJSQMDWUBSE-HUUCEWRRSA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163275 1097093419 /nfs/dbraw/zinc/09/34/19/1097093419.db2.gz BIRUJSQMDWUBSE-HUUCEWRRSA-N 2 2 314.832 3.388 20 0 DGADLP CC[C@H](C)OCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172324001 1097101525 /nfs/dbraw/zinc/10/15/25/1097101525.db2.gz KOODSGUHYGVDSO-IRXDYDNUSA-N 2 2 319.493 3.481 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC001172361513 1097126392 /nfs/dbraw/zinc/12/63/92/1097126392.db2.gz YASVVIYSNPRCOL-HLIPFELVSA-N 2 2 316.489 3.433 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H]1C ZINC001172371364 1097128968 /nfs/dbraw/zinc/12/89/68/1097128968.db2.gz FDDRSWJRIMDSFF-ILXRZTDVSA-N 2 2 314.433 3.102 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@@H]1C ZINC001172371364 1097128970 /nfs/dbraw/zinc/12/89/70/1097128970.db2.gz FDDRSWJRIMDSFF-ILXRZTDVSA-N 2 2 314.433 3.102 20 0 DGADLP CC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172384252 1097141046 /nfs/dbraw/zinc/14/10/46/1097141046.db2.gz GDDFHFRCQZLATK-IBGZPJMESA-N 2 2 304.478 3.433 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc[nH+]1 ZINC001172385491 1097142050 /nfs/dbraw/zinc/14/20/50/1097142050.db2.gz YNAKGQUCIUGPMQ-HLLBOEOZSA-N 2 2 317.477 3.473 20 0 DGADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172401238 1097145959 /nfs/dbraw/zinc/14/59/59/1097145959.db2.gz KYNZTJRUVDXWET-ZIFCJYIRSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172401238 1097145962 /nfs/dbraw/zinc/14/59/62/1097145962.db2.gz KYNZTJRUVDXWET-ZIFCJYIRSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172401238 1097145966 /nfs/dbraw/zinc/14/59/66/1097145966.db2.gz KYNZTJRUVDXWET-ZIFCJYIRSA-N 2 2 301.478 3.270 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172401238 1097145968 /nfs/dbraw/zinc/14/59/68/1097145968.db2.gz KYNZTJRUVDXWET-ZIFCJYIRSA-N 2 2 301.478 3.270 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173188 1097210922 /nfs/dbraw/zinc/21/09/22/1097210922.db2.gz FXRPKILCZGQPKD-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173188 1097210925 /nfs/dbraw/zinc/21/09/25/1097210925.db2.gz FXRPKILCZGQPKD-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3c(F)cccc3Cl)C[C@H]2C1 ZINC001172863156 1097266354 /nfs/dbraw/zinc/26/63/54/1097266354.db2.gz UQMMZOVSSWCVFU-MGPQQGTHSA-N 2 2 310.844 3.294 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172922321 1097281469 /nfs/dbraw/zinc/28/14/69/1097281469.db2.gz HIGYRESSEZZWAM-HSALFYBXSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173081409 1097326513 /nfs/dbraw/zinc/32/65/13/1097326513.db2.gz DVQPYWWJZIUYJY-NWDGAFQWSA-N 2 2 304.356 3.056 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001173107363 1097331611 /nfs/dbraw/zinc/33/16/11/1097331611.db2.gz PEERCCANOBAHCM-TVRKMHQQSA-N 3 2 307.526 3.246 20 0 DGADLP CC[NH+](CC)C1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001173107363 1097331616 /nfs/dbraw/zinc/33/16/16/1097331616.db2.gz PEERCCANOBAHCM-TVRKMHQQSA-N 3 2 307.526 3.246 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173194422 1097358966 /nfs/dbraw/zinc/35/89/66/1097358966.db2.gz VKWFEFPXWJNRCG-HFCFLWKCSA-N 2 2 302.462 3.451 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173194422 1097358971 /nfs/dbraw/zinc/35/89/71/1097358971.db2.gz VKWFEFPXWJNRCG-HFCFLWKCSA-N 2 2 302.462 3.451 20 0 DGADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198019 1097359851 /nfs/dbraw/zinc/35/98/51/1097359851.db2.gz MUEOEHBLMWQIGS-MUYFXNHWSA-N 2 2 302.462 3.451 20 0 DGADLP COC(=O)CCCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001173437824 1097438447 /nfs/dbraw/zinc/43/84/47/1097438447.db2.gz RPDINPWZMVOXCI-HNNXBMFYSA-N 2 2 315.417 3.084 20 0 DGADLP c1[nH]c2cnccc2c1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001231515536 1097769622 /nfs/dbraw/zinc/76/96/22/1097769622.db2.gz KNYZTFHLOKOBEI-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP CC(C)Oc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001231538300 1097776124 /nfs/dbraw/zinc/77/61/24/1097776124.db2.gz YDVXZTDEWIVDOV-UHFFFAOYSA-N 2 2 305.466 3.173 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001231538300 1097776128 /nfs/dbraw/zinc/77/61/28/1097776128.db2.gz YDVXZTDEWIVDOV-UHFFFAOYSA-N 2 2 305.466 3.173 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277544812 1097797925 /nfs/dbraw/zinc/79/79/25/1097797925.db2.gz TZEOOCOPJZRCSA-GOSISDBHSA-N 2 2 318.509 3.107 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277544812 1097797928 /nfs/dbraw/zinc/79/79/28/1097797928.db2.gz TZEOOCOPJZRCSA-GOSISDBHSA-N 2 2 318.509 3.107 20 0 DGADLP COc1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c21 ZINC001232033978 1097921578 /nfs/dbraw/zinc/92/15/78/1097921578.db2.gz UHACPAVYOUSROG-UHFFFAOYSA-N 2 2 313.445 3.237 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCC[C@H](C)C2)CC1 ZINC001175095661 1097945781 /nfs/dbraw/zinc/94/57/81/1097945781.db2.gz GJAWXYIMHQYCCZ-ROUUACIJSA-N 2 2 308.510 3.390 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001232220218 1097971084 /nfs/dbraw/zinc/97/10/84/1097971084.db2.gz HORUOXNZDGQLMI-IRXDYDNUSA-N 2 2 301.478 3.153 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccn3Cc3ccccc3)C[C@@H]2C1 ZINC001232234679 1097977272 /nfs/dbraw/zinc/97/72/72/1097977272.db2.gz CRXJGBNKFNKRJQ-BGYRXZFFSA-N 2 2 323.484 3.310 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccn3Cc3ccccc3)C[C@@H]2C1 ZINC001232234679 1097977277 /nfs/dbraw/zinc/97/72/77/1097977277.db2.gz CRXJGBNKFNKRJQ-BGYRXZFFSA-N 2 2 323.484 3.310 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccn3Cc3ccccc3)C[C@@H]2C1 ZINC001232234679 1097977282 /nfs/dbraw/zinc/97/72/82/1097977282.db2.gz CRXJGBNKFNKRJQ-BGYRXZFFSA-N 2 2 323.484 3.310 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccn3Cc3ccccc3)C[C@@H]2C1 ZINC001232234679 1097977288 /nfs/dbraw/zinc/97/72/88/1097977288.db2.gz CRXJGBNKFNKRJQ-BGYRXZFFSA-N 2 2 323.484 3.310 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3OC(C)C)C[C@@H]2C1 ZINC001232399661 1098028514 /nfs/dbraw/zinc/02/85/14/1098028514.db2.gz XLHAADVMWJJINE-ROUUACIJSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)c(C)c(F)c2)CC1 ZINC001232425299 1098034593 /nfs/dbraw/zinc/03/45/93/1098034593.db2.gz GIRODXYNNLEHSR-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001232560241 1098078256 /nfs/dbraw/zinc/07/82/56/1098078256.db2.gz SRVVZLDBLDREGF-AWEZNQCLSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001232560241 1098078263 /nfs/dbraw/zinc/07/82/63/1098078263.db2.gz SRVVZLDBLDREGF-AWEZNQCLSA-N 2 2 309.369 3.185 20 0 DGADLP CCOc1ccnc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232584417 1098085843 /nfs/dbraw/zinc/08/58/43/1098085843.db2.gz DNZSEMWNRVCHHR-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccnc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001232584417 1098085846 /nfs/dbraw/zinc/08/58/46/1098085846.db2.gz DNZSEMWNRVCHHR-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001232584417 1098085848 /nfs/dbraw/zinc/08/58/48/1098085848.db2.gz DNZSEMWNRVCHHR-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001232584417 1098085851 /nfs/dbraw/zinc/08/58/51/1098085851.db2.gz DNZSEMWNRVCHHR-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP COc1cccc(C)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001232622244 1098098121 /nfs/dbraw/zinc/09/81/21/1098098121.db2.gz SENLOJCBBHWNGD-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CC(C)[N@H+](Cc1ccc(Br)[nH]1)C1CC[NH+](C)CC1 ZINC001232691938 1098116047 /nfs/dbraw/zinc/11/60/47/1098116047.db2.gz MISBISWCHRWONO-UHFFFAOYSA-N 2 2 314.271 3.082 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(Br)[nH]1)C1CC[NH+](C)CC1 ZINC001232691938 1098116051 /nfs/dbraw/zinc/11/60/51/1098116051.db2.gz MISBISWCHRWONO-UHFFFAOYSA-N 2 2 314.271 3.082 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)c2ccccc2)c[nH+]1 ZINC001175669111 1098131840 /nfs/dbraw/zinc/13/18/40/1098131840.db2.gz KTZHITPRDIPVNJ-IBGZPJMESA-N 2 2 317.396 3.291 20 0 DGADLP COc1cc(O)cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232802447 1098140010 /nfs/dbraw/zinc/14/00/10/1098140010.db2.gz ANGLDSVXTJAJIJ-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP COc1cc(O)cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232802447 1098140017 /nfs/dbraw/zinc/14/00/17/1098140017.db2.gz ANGLDSVXTJAJIJ-KRWDZBQOSA-N 2 2 318.461 3.241 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232866661 1098157193 /nfs/dbraw/zinc/15/71/93/1098157193.db2.gz COLRDUDNFJXDHK-UHFFFAOYSA-N 2 2 313.445 3.324 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(Cl)ncc1O ZINC001233039482 1098210777 /nfs/dbraw/zinc/21/07/77/1098210777.db2.gz XONRXHHCOSBDDZ-GJZGRUSLSA-N 2 2 323.868 3.279 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(Cl)ncc1O ZINC001233039482 1098210782 /nfs/dbraw/zinc/21/07/82/1098210782.db2.gz XONRXHHCOSBDDZ-GJZGRUSLSA-N 2 2 323.868 3.279 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ncc1O ZINC001233039482 1098210786 /nfs/dbraw/zinc/21/07/86/1098210786.db2.gz XONRXHHCOSBDDZ-GJZGRUSLSA-N 2 2 323.868 3.279 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ncc1O ZINC001233039482 1098210789 /nfs/dbraw/zinc/21/07/89/1098210789.db2.gz XONRXHHCOSBDDZ-GJZGRUSLSA-N 2 2 323.868 3.279 20 0 DGADLP C[C@H](C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982611 1098218774 /nfs/dbraw/zinc/21/87/74/1098218774.db2.gz ILIKCXXVIFFRDI-SJLPKXTDSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC001175982611 1098218777 /nfs/dbraw/zinc/21/87/77/1098218777.db2.gz ILIKCXXVIFFRDI-SJLPKXTDSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@H](C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982611 1098218779 /nfs/dbraw/zinc/21/87/79/1098218779.db2.gz ILIKCXXVIFFRDI-SJLPKXTDSA-N 2 2 306.494 3.093 20 0 DGADLP C[C@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001175982611 1098218782 /nfs/dbraw/zinc/21/87/82/1098218782.db2.gz ILIKCXXVIFFRDI-SJLPKXTDSA-N 2 2 306.494 3.093 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001233176176 1098245374 /nfs/dbraw/zinc/24/53/74/1098245374.db2.gz YFYPCNCWLHCYPE-NEPJUHHUSA-N 2 2 304.381 3.150 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001233176176 1098245377 /nfs/dbraw/zinc/24/53/77/1098245377.db2.gz YFYPCNCWLHCYPE-NEPJUHHUSA-N 2 2 304.381 3.150 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001233176176 1098245383 /nfs/dbraw/zinc/24/53/83/1098245383.db2.gz YFYPCNCWLHCYPE-NEPJUHHUSA-N 2 2 304.381 3.150 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001233176176 1098245386 /nfs/dbraw/zinc/24/53/86/1098245386.db2.gz YFYPCNCWLHCYPE-NEPJUHHUSA-N 2 2 304.381 3.150 20 0 DGADLP Cc1c(Br)ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1C ZINC001233221951 1098253754 /nfs/dbraw/zinc/25/37/54/1098253754.db2.gz HKXPFBJXSWFCCQ-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1c(Br)ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1C ZINC001233221951 1098253760 /nfs/dbraw/zinc/25/37/60/1098253760.db2.gz HKXPFBJXSWFCCQ-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1c(Br)ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC001233221951 1098253765 /nfs/dbraw/zinc/25/37/65/1098253765.db2.gz HKXPFBJXSWFCCQ-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1c(Br)ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC001233221951 1098253771 /nfs/dbraw/zinc/25/37/71/1098253771.db2.gz HKXPFBJXSWFCCQ-GASCZTMLSA-N 2 2 323.278 3.059 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233233853 1098259604 /nfs/dbraw/zinc/25/96/04/1098259604.db2.gz SAUMOVLAOWHUGL-PMACEKPBSA-N 2 2 322.452 3.264 20 0 DGADLP COc1cc[nH+]cc1Nc1c[nH+]c2ccc(Br)cn12 ZINC001176118400 1098263740 /nfs/dbraw/zinc/26/37/40/1098263740.db2.gz JXDYJPIVLAMPGY-UHFFFAOYSA-N 2 2 319.162 3.244 20 0 DGADLP COc1cc[nH+]cc1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001176121471 1098266969 /nfs/dbraw/zinc/26/69/69/1098266969.db2.gz JJWXJZYSVXHTDW-UHFFFAOYSA-N 2 2 301.390 3.164 20 0 DGADLP c1c2cccnc2sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001233349528 1098299236 /nfs/dbraw/zinc/29/92/36/1098299236.db2.gz WUXIAKJYMMBKPL-OAHLLOKOSA-N 2 2 311.410 3.345 20 0 DGADLP c1c2cccnc2sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001233349528 1098299237 /nfs/dbraw/zinc/29/92/37/1098299237.db2.gz WUXIAKJYMMBKPL-OAHLLOKOSA-N 2 2 311.410 3.345 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(Cl)cccc3SC)C[C@@H]2C1 ZINC001233353477 1098299809 /nfs/dbraw/zinc/29/98/09/1098299809.db2.gz XJCTVTXGFHJULA-BETUJISGSA-N 2 2 310.894 3.445 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(Cl)cccc3SC)C[C@@H]2C1 ZINC001233353477 1098299813 /nfs/dbraw/zinc/29/98/13/1098299813.db2.gz XJCTVTXGFHJULA-BETUJISGSA-N 2 2 310.894 3.445 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(Cl)cccc3SC)C[C@@H]2C1 ZINC001233353477 1098299816 /nfs/dbraw/zinc/29/98/16/1098299816.db2.gz XJCTVTXGFHJULA-BETUJISGSA-N 2 2 310.894 3.445 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(Cl)cccc3SC)C[C@@H]2C1 ZINC001233353477 1098299823 /nfs/dbraw/zinc/29/98/23/1098299823.db2.gz XJCTVTXGFHJULA-BETUJISGSA-N 2 2 310.894 3.445 20 0 DGADLP c1cn2c(cccc2C[NH+]2CCC3(COc4ccccc43)CC2)[nH+]1 ZINC001233363846 1098301337 /nfs/dbraw/zinc/30/13/37/1098301337.db2.gz CRFLXPZYRYXRHH-UHFFFAOYSA-N 2 2 319.408 3.261 20 0 DGADLP CSc1cc(Nc2ccc(OCCC[NH+](C)C)nc2)cc[nH+]1 ZINC001176354544 1098330171 /nfs/dbraw/zinc/33/01/71/1098330171.db2.gz HWZYONKTHQBTSP-UHFFFAOYSA-N 2 2 318.446 3.273 20 0 DGADLP Cc1cc(C)[nH+]c(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001176378467 1098337226 /nfs/dbraw/zinc/33/72/26/1098337226.db2.gz PJJYFKREICMDGY-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)sc1C ZINC001233684374 1098407397 /nfs/dbraw/zinc/40/73/97/1098407397.db2.gz JQJZDHIQJYUGKO-UHFFFAOYSA-N 2 2 316.474 3.094 20 0 DGADLP COc1cc(C[NH+]2CC(c3ccccc3)C2)ccc1-n1cc[nH+]c1 ZINC001234075488 1098491257 /nfs/dbraw/zinc/49/12/57/1098491257.db2.gz KKRFLPXMUVXOSO-UHFFFAOYSA-N 2 2 319.408 3.480 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)[C@H]1c1cccs1 ZINC001177918817 1098650001 /nfs/dbraw/zinc/65/00/01/1098650001.db2.gz DEEZVFNWRWXOFH-WFASDCNBSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncs2)[C@H]1c1cccs1 ZINC001177918817 1098650004 /nfs/dbraw/zinc/65/00/04/1098650004.db2.gz DEEZVFNWRWXOFH-WFASDCNBSA-N 2 2 307.488 3.377 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(OC(C)C)c1 ZINC001234715049 1098654003 /nfs/dbraw/zinc/65/40/03/1098654003.db2.gz QMYVTOPVMXLNRP-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(OC(C)C)c1 ZINC001234715049 1098654006 /nfs/dbraw/zinc/65/40/06/1098654006.db2.gz QMYVTOPVMXLNRP-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OC(C)C ZINC001234726843 1098657005 /nfs/dbraw/zinc/65/70/05/1098657005.db2.gz GSAGRQKGTDTJPI-UHFFFAOYSA-N 2 2 308.466 3.256 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OC(C)C ZINC001234726843 1098657008 /nfs/dbraw/zinc/65/70/08/1098657008.db2.gz GSAGRQKGTDTJPI-UHFFFAOYSA-N 2 2 308.466 3.256 20 0 DGADLP CC/C=C/CC[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893896 1098667933 /nfs/dbraw/zinc/66/79/33/1098667933.db2.gz RLHPYZYNQKEWRX-FDMDGMSGSA-N 2 2 317.477 3.413 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001234861361 1098686626 /nfs/dbraw/zinc/68/66/26/1098686626.db2.gz YTNLFFXGILCIQN-UHFFFAOYSA-N 2 2 320.477 3.284 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001234861361 1098686630 /nfs/dbraw/zinc/68/66/30/1098686630.db2.gz YTNLFFXGILCIQN-UHFFFAOYSA-N 2 2 320.477 3.284 20 0 DGADLP CCCCCCc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC001234974808 1098730606 /nfs/dbraw/zinc/73/06/06/1098730606.db2.gz MXFFKORBRMIRBE-CRAIPNDOSA-N 2 2 322.518 3.291 20 0 DGADLP CCCCCCc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC001234974808 1098730616 /nfs/dbraw/zinc/73/06/16/1098730616.db2.gz MXFFKORBRMIRBE-CRAIPNDOSA-N 2 2 322.518 3.291 20 0 DGADLP Cc1c(Cl)ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1C ZINC001235019180 1098753066 /nfs/dbraw/zinc/75/30/66/1098753066.db2.gz AGGICTUDNZVZRZ-SFHVURJKSA-N 2 2 322.880 3.159 20 0 DGADLP Cc1c(Cl)ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1C ZINC001235019180 1098753077 /nfs/dbraw/zinc/75/30/77/1098753077.db2.gz AGGICTUDNZVZRZ-SFHVURJKSA-N 2 2 322.880 3.159 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC001235019099 1098753526 /nfs/dbraw/zinc/75/35/26/1098753526.db2.gz ZPWLJZQHFMREBV-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1cccc(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC001235019099 1098753533 /nfs/dbraw/zinc/75/35/33/1098753533.db2.gz ZPWLJZQHFMREBV-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235026925 1098757304 /nfs/dbraw/zinc/75/73/04/1098757304.db2.gz JMSMBMTXSWPULU-GFCCVEGCSA-N 2 2 320.234 3.477 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Br)c2)C1 ZINC001235026925 1098757311 /nfs/dbraw/zinc/75/73/11/1098757311.db2.gz JMSMBMTXSWPULU-GFCCVEGCSA-N 2 2 320.234 3.477 20 0 DGADLP Clc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)o2)c1 ZINC001235025468 1098758113 /nfs/dbraw/zinc/75/81/13/1098758113.db2.gz BULXCRMPAIEFDV-XJKSGUPXSA-N 2 2 302.805 3.394 20 0 DGADLP Clc1cccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)o2)c1 ZINC001235025468 1098758124 /nfs/dbraw/zinc/75/81/24/1098758124.db2.gz BULXCRMPAIEFDV-XJKSGUPXSA-N 2 2 302.805 3.394 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccn1 ZINC001235041028 1098769726 /nfs/dbraw/zinc/76/97/26/1098769726.db2.gz WONJHIBRBVFLOB-LJQANCHMSA-N 2 2 301.478 3.487 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccn1 ZINC001235041028 1098769732 /nfs/dbraw/zinc/76/97/32/1098769732.db2.gz WONJHIBRBVFLOB-LJQANCHMSA-N 2 2 301.478 3.487 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(OC)c1C ZINC001235040699 1098769892 /nfs/dbraw/zinc/76/98/92/1098769892.db2.gz NAKPGSLZVWUFIJ-IBGZPJMESA-N 2 2 318.461 3.120 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(OC)c1C ZINC001235040699 1098769899 /nfs/dbraw/zinc/76/98/99/1098769899.db2.gz NAKPGSLZVWUFIJ-IBGZPJMESA-N 2 2 318.461 3.120 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)ccc1Cl ZINC001235089726 1098792678 /nfs/dbraw/zinc/79/26/78/1098792678.db2.gz QXFGVJIPMUHNSP-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)ccc1Cl ZINC001235089726 1098792687 /nfs/dbraw/zinc/79/26/87/1098792687.db2.gz QXFGVJIPMUHNSP-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c1Cl ZINC001235092401 1098795556 /nfs/dbraw/zinc/79/55/56/1098795556.db2.gz ILRPRDAYCCYQIJ-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c1Cl ZINC001235092401 1098795566 /nfs/dbraw/zinc/79/55/66/1098795566.db2.gz ILRPRDAYCCYQIJ-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC001235109104 1098807201 /nfs/dbraw/zinc/80/72/01/1098807201.db2.gz FRASWTGQIXEYFI-FQEVSTJZSA-N 2 2 309.457 3.234 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC001235109104 1098807208 /nfs/dbraw/zinc/80/72/08/1098807208.db2.gz FRASWTGQIXEYFI-FQEVSTJZSA-N 2 2 309.457 3.234 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)c2)cc1 ZINC001235158552 1098844433 /nfs/dbraw/zinc/84/44/33/1098844433.db2.gz HGBZKBMZMILGAT-AZUAARDMSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)c2)cc1 ZINC001235158552 1098844440 /nfs/dbraw/zinc/84/44/40/1098844440.db2.gz HGBZKBMZMILGAT-AZUAARDMSA-N 2 2 308.425 3.285 20 0 DGADLP COc1cnc(F)c(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC001178529160 1098855690 /nfs/dbraw/zinc/85/56/90/1098855690.db2.gz WLJCKTXGTFCYER-UHFFFAOYSA-N 2 2 323.456 3.364 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235198255 1098872734 /nfs/dbraw/zinc/87/27/34/1098872734.db2.gz OUFPHNUCFMUFQR-ZIAGYGMSSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235198255 1098872747 /nfs/dbraw/zinc/87/27/47/1098872747.db2.gz OUFPHNUCFMUFQR-ZIAGYGMSSA-N 2 2 323.278 3.107 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235209020 1098880366 /nfs/dbraw/zinc/88/03/66/1098880366.db2.gz GYBWNACOONRXSO-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235209020 1098880375 /nfs/dbraw/zinc/88/03/75/1098880375.db2.gz GYBWNACOONRXSO-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP Fc1nc(Cl)ccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232174 1098906079 /nfs/dbraw/zinc/90/60/79/1098906079.db2.gz VKIASNJMVAICQA-CQSZACIVSA-N 2 2 311.832 3.228 20 0 DGADLP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c2c(OC)cccc12 ZINC001235343317 1098966504 /nfs/dbraw/zinc/96/65/04/1098966504.db2.gz UFVPHYBJKJVMOR-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c2c(OC)cccc12 ZINC001235343317 1098966510 /nfs/dbraw/zinc/96/65/10/1098966510.db2.gz UFVPHYBJKJVMOR-OAHLLOKOSA-N 2 2 314.429 3.041 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1C1CC1 ZINC001235399166 1098994845 /nfs/dbraw/zinc/99/48/45/1098994845.db2.gz BNXOGGURRCGPOB-QZTJIDSGSA-N 2 2 306.400 3.227 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1C1CC1 ZINC001235399166 1098994851 /nfs/dbraw/zinc/99/48/51/1098994851.db2.gz BNXOGGURRCGPOB-QZTJIDSGSA-N 2 2 306.400 3.227 20 0 DGADLP c1nc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2s1 ZINC001179044682 1098999134 /nfs/dbraw/zinc/99/91/34/1098999134.db2.gz NCSSOVGRCVLHIS-GDBMZVCRSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2s1 ZINC001179044682 1098999145 /nfs/dbraw/zinc/99/91/45/1098999145.db2.gz NCSSOVGRCVLHIS-GDBMZVCRSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2s1 ZINC001179044683 1099000644 /nfs/dbraw/zinc/00/06/44/1099000644.db2.gz NCSSOVGRCVLHIS-GOEBONIOSA-N 2 2 301.459 3.403 20 0 DGADLP c1nc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2s1 ZINC001179044683 1099000656 /nfs/dbraw/zinc/00/06/56/1099000656.db2.gz NCSSOVGRCVLHIS-GOEBONIOSA-N 2 2 301.459 3.403 20 0 DGADLP Cc1nc2cc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2s1 ZINC001206370094 1099033591 /nfs/dbraw/zinc/03/35/91/1099033591.db2.gz KVJISLJDRDNGJD-INIZCTEOSA-N 2 2 307.438 3.258 20 0 DGADLP Cc1nc2cc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)ccc2s1 ZINC001206370094 1099033602 /nfs/dbraw/zinc/03/36/02/1099033602.db2.gz KVJISLJDRDNGJD-INIZCTEOSA-N 2 2 307.438 3.258 20 0 DGADLP CCO[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C[NH+](C)C ZINC001179559819 1099129731 /nfs/dbraw/zinc/12/97/31/1099129731.db2.gz WYSCNBPHEFCKIC-QGZVFWFLSA-N 2 2 318.486 3.471 20 0 DGADLP c1ccc2cc(C3CC[NH+](C[C@@H]4C[NH2+]CCO4)CC3)ccc2c1 ZINC001235714714 1099141245 /nfs/dbraw/zinc/14/12/45/1099141245.db2.gz JHEQPJIAGHHEBH-FQEVSTJZSA-N 2 2 310.441 3.008 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2c1cccc2C)[C@H]1CCC[NH2+]C1 ZINC001235805351 1099187992 /nfs/dbraw/zinc/18/79/92/1099187992.db2.gz DUPJVGDZJSKERP-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2c1cccc2C)[C@H]1CCC[NH2+]C1 ZINC001235805351 1099187996 /nfs/dbraw/zinc/18/79/96/1099187996.db2.gz DUPJVGDZJSKERP-KRWDZBQOSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@H+](Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC001235807247 1099188849 /nfs/dbraw/zinc/18/88/49/1099188849.db2.gz NGNNEROAKXRFLC-INIZCTEOSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@@H+](Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC001235807247 1099188854 /nfs/dbraw/zinc/18/88/54/1099188854.db2.gz NGNNEROAKXRFLC-INIZCTEOSA-N 2 2 318.486 3.492 20 0 DGADLP COCCC[N@H+](Cc1cccc2occc21)[C@@H]1CCC[NH2+]C1 ZINC001235812407 1099190732 /nfs/dbraw/zinc/19/07/32/1099190732.db2.gz ZXQFLBBFEMGWLE-MRXNPFEDSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1cccc2occc21)[C@@H]1CCC[NH2+]C1 ZINC001235812407 1099190737 /nfs/dbraw/zinc/19/07/37/1099190737.db2.gz ZXQFLBBFEMGWLE-MRXNPFEDSA-N 2 2 302.418 3.023 20 0 DGADLP Cc1nc(F)ccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001235817887 1099193272 /nfs/dbraw/zinc/19/32/72/1099193272.db2.gz AIPLRQCPNBCFCC-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP Cc1nc(F)ccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001235817887 1099193276 /nfs/dbraw/zinc/19/32/76/1099193276.db2.gz AIPLRQCPNBCFCC-UHFFFAOYSA-N 2 2 305.441 3.368 20 0 DGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907931 1099251264 /nfs/dbraw/zinc/25/12/64/1099251264.db2.gz VBTFJZFWOMJMQA-GWCFXTLKSA-N 2 2 322.250 3.242 20 0 DGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001235907931 1099251271 /nfs/dbraw/zinc/25/12/71/1099251271.db2.gz VBTFJZFWOMJMQA-GWCFXTLKSA-N 2 2 322.250 3.242 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001235925289 1099261201 /nfs/dbraw/zinc/26/12/01/1099261201.db2.gz PWWHGSWYTFCJDX-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001235925289 1099261205 /nfs/dbraw/zinc/26/12/05/1099261205.db2.gz PWWHGSWYTFCJDX-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1Br ZINC001235925617 1099262248 /nfs/dbraw/zinc/26/22/48/1099262248.db2.gz MFDZCUJCJZOYSV-NSHDSACASA-N 2 2 315.230 3.210 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1Br ZINC001235925617 1099262257 /nfs/dbraw/zinc/26/22/57/1099262257.db2.gz MFDZCUJCJZOYSV-NSHDSACASA-N 2 2 315.230 3.210 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001235925894 1099263574 /nfs/dbraw/zinc/26/35/74/1099263574.db2.gz RAPRMLFUDYTHGW-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001235925894 1099263584 /nfs/dbraw/zinc/26/35/84/1099263584.db2.gz RAPRMLFUDYTHGW-JTQLQIEISA-N 2 2 308.294 3.297 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235948309 1099280980 /nfs/dbraw/zinc/28/09/80/1099280980.db2.gz NITWQTZQOOJUPI-UHFFFAOYSA-N 2 2 308.429 3.195 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001235948309 1099280990 /nfs/dbraw/zinc/28/09/90/1099280990.db2.gz NITWQTZQOOJUPI-UHFFFAOYSA-N 2 2 308.429 3.195 20 0 DGADLP Cc1ccc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])c(Cl)nc2c1 ZINC001235958479 1099289916 /nfs/dbraw/zinc/28/99/16/1099289916.db2.gz GAULAPRRHBIVLU-XOIINTDNSA-N 2 2 315.848 3.366 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])c(Cl)nc2c1 ZINC001235958479 1099289922 /nfs/dbraw/zinc/28/99/22/1099289922.db2.gz GAULAPRRHBIVLU-XOIINTDNSA-N 2 2 315.848 3.366 20 0 DGADLP Fc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Cl)c1F ZINC001236009691 1099333851 /nfs/dbraw/zinc/33/38/51/1099333851.db2.gz PJNPZYCYWICVCR-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C[C@@H]1[NH3+] ZINC001236094502 1099384881 /nfs/dbraw/zinc/38/48/81/1099384881.db2.gz ZBWKZVXKWYVSBG-BZNIZROVSA-N 2 2 319.811 3.320 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C[C@@H]1[NH3+] ZINC001236094502 1099384893 /nfs/dbraw/zinc/38/48/93/1099384893.db2.gz ZBWKZVXKWYVSBG-BZNIZROVSA-N 2 2 319.811 3.320 20 0 DGADLP CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@@H]1CCC[NH2+]1 ZINC001236102789 1099391125 /nfs/dbraw/zinc/39/11/25/1099391125.db2.gz SBZBCKYPFXAWQF-PMACEKPBSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@@H]1CCC[NH2+]1 ZINC001236102789 1099391137 /nfs/dbraw/zinc/39/11/37/1099391137.db2.gz SBZBCKYPFXAWQF-PMACEKPBSA-N 2 2 312.457 3.336 20 0 DGADLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c2c(OC)cccc12 ZINC001236118218 1099406141 /nfs/dbraw/zinc/40/61/41/1099406141.db2.gz CIILVJLLGZEGJV-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c2c(OC)cccc12 ZINC001236118218 1099406149 /nfs/dbraw/zinc/40/61/49/1099406149.db2.gz CIILVJLLGZEGJV-HNNXBMFYSA-N 2 2 314.429 3.041 20 0 DGADLP C[N@H+](Cc1ccccc1C1CCOCC1)[C@]1(C)CCC[NH2+]C1 ZINC001236204867 1099459783 /nfs/dbraw/zinc/45/97/83/1099459783.db2.gz CLBHOYVBXZOSQF-LJQANCHMSA-N 2 2 302.462 3.155 20 0 DGADLP C[N@@H+](Cc1ccccc1C1CCOCC1)[C@]1(C)CCC[NH2+]C1 ZINC001236204867 1099459794 /nfs/dbraw/zinc/45/97/94/1099459794.db2.gz CLBHOYVBXZOSQF-LJQANCHMSA-N 2 2 302.462 3.155 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217277 1099474186 /nfs/dbraw/zinc/47/41/86/1099474186.db2.gz OULRDOHPDUMPPR-LSDHHAIUSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236217277 1099474195 /nfs/dbraw/zinc/47/41/95/1099474195.db2.gz OULRDOHPDUMPPR-LSDHHAIUSA-N 2 2 316.367 3.416 20 0 DGADLP C[N@H+](Cc1cccn1-c1ccccc1F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219631 1099477172 /nfs/dbraw/zinc/47/71/72/1099477172.db2.gz WZPWYJXHZBLENM-FUHWJXTLSA-N 2 2 301.409 3.318 20 0 DGADLP C[N@@H+](Cc1cccn1-c1ccccc1F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219631 1099477175 /nfs/dbraw/zinc/47/71/75/1099477175.db2.gz WZPWYJXHZBLENM-FUHWJXTLSA-N 2 2 301.409 3.318 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C1(C)CC[NH2+]CC1 ZINC001236221230 1099479376 /nfs/dbraw/zinc/47/93/76/1099479376.db2.gz BYIVRGGALZYBRL-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C1(C)CC[NH2+]CC1 ZINC001236221230 1099479377 /nfs/dbraw/zinc/47/93/77/1099479377.db2.gz BYIVRGGALZYBRL-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220871 1099480343 /nfs/dbraw/zinc/48/03/43/1099480343.db2.gz ZXVFQOCHZLUQHM-SJORKVTESA-N 2 2 318.461 3.344 20 0 DGADLP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220871 1099480347 /nfs/dbraw/zinc/48/03/47/1099480347.db2.gz ZXVFQOCHZLUQHM-SJORKVTESA-N 2 2 318.461 3.344 20 0 DGADLP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(F)c1F ZINC001236240150 1099493823 /nfs/dbraw/zinc/49/38/23/1099493823.db2.gz JNRQHVIMPUMPHZ-UHFFFAOYSA-N 2 2 308.397 3.304 20 0 DGADLP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(F)c1F ZINC001236240150 1099493828 /nfs/dbraw/zinc/49/38/28/1099493828.db2.gz JNRQHVIMPUMPHZ-UHFFFAOYSA-N 2 2 308.397 3.304 20 0 DGADLP c1[nH]nc2cccc(C[N@@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)c12 ZINC001236271139 1099512940 /nfs/dbraw/zinc/51/29/40/1099512940.db2.gz RMYXIGXBBVNNQA-SFHVURJKSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cccc(C[N@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)c12 ZINC001236271139 1099512952 /nfs/dbraw/zinc/51/29/52/1099512952.db2.gz RMYXIGXBBVNNQA-SFHVURJKSA-N 2 2 320.440 3.317 20 0 DGADLP c1ccc(C[N@H+](Cc2cccc3c2OCO3)C2CC[NH2+]CC2)cc1 ZINC001236300585 1099523034 /nfs/dbraw/zinc/52/30/34/1099523034.db2.gz UCAQJDDIUBVTPG-UHFFFAOYSA-N 2 2 324.424 3.170 20 0 DGADLP c1ccc(C[N@@H+](Cc2cccc3c2OCO3)C2CC[NH2+]CC2)cc1 ZINC001236300585 1099523046 /nfs/dbraw/zinc/52/30/46/1099523046.db2.gz UCAQJDDIUBVTPG-UHFFFAOYSA-N 2 2 324.424 3.170 20 0 DGADLP COCC[N@H+](CCC(C)(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236329032 1099540939 /nfs/dbraw/zinc/54/09/39/1099540939.db2.gz RGBUNODRURXKQB-GOSISDBHSA-N 2 2 304.478 3.055 20 0 DGADLP COCC[N@@H+](CCC(C)(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236329032 1099540948 /nfs/dbraw/zinc/54/09/48/1099540948.db2.gz RGBUNODRURXKQB-GOSISDBHSA-N 2 2 304.478 3.055 20 0 DGADLP Nc1ccnc(Cl)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375056 1099560169 /nfs/dbraw/zinc/56/01/69/1099560169.db2.gz VBCWQUJVUUEWOY-CYBMUJFWSA-N 2 2 322.884 3.061 20 0 DGADLP Nc1ccnc(Cl)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375056 1099560180 /nfs/dbraw/zinc/56/01/80/1099560180.db2.gz VBCWQUJVUUEWOY-CYBMUJFWSA-N 2 2 322.884 3.061 20 0 DGADLP Oc1cc(F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236374182 1099560528 /nfs/dbraw/zinc/56/05/28/1099560528.db2.gz CBVDSSVDRCIMNA-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1cc(F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236374182 1099560533 /nfs/dbraw/zinc/56/05/33/1099560533.db2.gz CBVDSSVDRCIMNA-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236407812 1099580946 /nfs/dbraw/zinc/58/09/46/1099580946.db2.gz HXZSWRAJEQIYCE-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236407812 1099580955 /nfs/dbraw/zinc/58/09/55/1099580955.db2.gz HXZSWRAJEQIYCE-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236409379 1099580987 /nfs/dbraw/zinc/58/09/87/1099580987.db2.gz UESDCHAYYPSBNV-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236409379 1099580997 /nfs/dbraw/zinc/58/09/97/1099580997.db2.gz UESDCHAYYPSBNV-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2c(F)cccc2N2CC[NH+](C)CC2)c1 ZINC001203668581 1099608912 /nfs/dbraw/zinc/60/89/12/1099608912.db2.gz XDVFHIPLSRXNKS-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP C[C@H](C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236438218 1099613855 /nfs/dbraw/zinc/61/38/55/1099613855.db2.gz SPUNCWZAUDABDP-YLJYHZDGSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236438218 1099613862 /nfs/dbraw/zinc/61/38/62/1099613862.db2.gz SPUNCWZAUDABDP-YLJYHZDGSA-N 2 2 309.457 3.439 20 0 DGADLP CC(C)[N@H+](Cc1ccc(O)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236469590 1099629663 /nfs/dbraw/zinc/62/96/63/1099629663.db2.gz ZDQIBVXCYJNHTH-CYBMUJFWSA-N 2 2 316.367 3.373 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(O)cc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236469590 1099629667 /nfs/dbraw/zinc/62/96/67/1099629667.db2.gz ZDQIBVXCYJNHTH-CYBMUJFWSA-N 2 2 316.367 3.373 20 0 DGADLP CC(C)C[N@H+](Cc1ccc(N2CCCC2)o1)[C@@H]1CCC[NH2+]C1 ZINC001236475017 1099633194 /nfs/dbraw/zinc/63/31/94/1099633194.db2.gz UWRYPWOEZWRBHY-MRXNPFEDSA-N 2 2 305.466 3.090 20 0 DGADLP CC(C)C[N@@H+](Cc1ccc(N2CCCC2)o1)[C@@H]1CCC[NH2+]C1 ZINC001236475017 1099633197 /nfs/dbraw/zinc/63/31/97/1099633197.db2.gz UWRYPWOEZWRBHY-MRXNPFEDSA-N 2 2 305.466 3.090 20 0 DGADLP C[C@H](C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236478041 1099637030 /nfs/dbraw/zinc/63/70/30/1099637030.db2.gz AWEBJPCZAMUHBJ-XLIONFOSSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001236478041 1099637034 /nfs/dbraw/zinc/63/70/34/1099637034.db2.gz AWEBJPCZAMUHBJ-XLIONFOSSA-N 2 2 309.457 3.439 20 0 DGADLP CC(C)Oc1cncc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001236522177 1099659421 /nfs/dbraw/zinc/65/94/21/1099659421.db2.gz VKPLBUZICDVMFC-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cncc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001236522177 1099659424 /nfs/dbraw/zinc/65/94/24/1099659424.db2.gz VKPLBUZICDVMFC-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1Br ZINC001236528880 1099663016 /nfs/dbraw/zinc/66/30/16/1099663016.db2.gz LAAFFUOYWMZQEB-CQSZACIVSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1Br ZINC001236528880 1099663013 /nfs/dbraw/zinc/66/30/13/1099663013.db2.gz LAAFFUOYWMZQEB-CQSZACIVSA-N 2 2 311.267 3.330 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236605901 1099700640 /nfs/dbraw/zinc/70/06/40/1099700640.db2.gz WQQPEPXKTVMPSP-ZDUSSCGKSA-N 2 2 322.758 3.409 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236605901 1099700650 /nfs/dbraw/zinc/70/06/50/1099700650.db2.gz WQQPEPXKTVMPSP-ZDUSSCGKSA-N 2 2 322.758 3.409 20 0 DGADLP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236648985 1099721732 /nfs/dbraw/zinc/72/17/32/1099721732.db2.gz UXPDJTDQSFRNNB-INIZCTEOSA-N 2 2 306.425 3.331 20 0 DGADLP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236648985 1099721739 /nfs/dbraw/zinc/72/17/39/1099721739.db2.gz UXPDJTDQSFRNNB-INIZCTEOSA-N 2 2 306.425 3.331 20 0 DGADLP c1cn(-c2cccc(CN([C@H]3CC[NH2+]C3)C3CCCCC3)c2)c[nH+]1 ZINC001236652395 1099723092 /nfs/dbraw/zinc/72/30/92/1099723092.db2.gz HNFLKHQUVGWFDV-FQEVSTJZSA-N 2 2 324.472 3.369 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1C[NH2+]CCO1 ZINC001236661752 1099730108 /nfs/dbraw/zinc/73/01/08/1099730108.db2.gz GEBRQCJIPQXHCE-MOPGFXCFSA-N 2 2 304.478 3.098 20 0 DGADLP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1C[NH2+]CCO1 ZINC001236661752 1099730115 /nfs/dbraw/zinc/73/01/15/1099730115.db2.gz GEBRQCJIPQXHCE-MOPGFXCFSA-N 2 2 304.478 3.098 20 0 DGADLP CC[NH+](CC)CCN(C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236912659 1099874359 /nfs/dbraw/zinc/87/43/59/1099874359.db2.gz CZAQYDMZVZOODD-UHFFFAOYSA-N 2 2 320.868 3.299 20 0 DGADLP COCCC[N@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001236947616 1099886972 /nfs/dbraw/zinc/88/69/72/1099886972.db2.gz PGZUZMZQJMCQGN-MRXNPFEDSA-N 2 2 316.420 3.179 20 0 DGADLP COCCC[N@@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001236947616 1099886978 /nfs/dbraw/zinc/88/69/78/1099886978.db2.gz PGZUZMZQJMCQGN-MRXNPFEDSA-N 2 2 316.420 3.179 20 0 DGADLP [NH3+]CCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237041627 1099940089 /nfs/dbraw/zinc/94/00/89/1099940089.db2.gz INRVVFRXKFPUFC-AWEZNQCLSA-N 2 2 300.368 3.064 20 0 DGADLP [NH3+]CCCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237041627 1099940101 /nfs/dbraw/zinc/94/01/01/1099940101.db2.gz INRVVFRXKFPUFC-AWEZNQCLSA-N 2 2 300.368 3.064 20 0 DGADLP C[NH+]1CCC([N@H+](CCCC2CCCCC2)C2CC[NH2+]CC2)CC1 ZINC001237038716 1099940163 /nfs/dbraw/zinc/94/01/63/1099940163.db2.gz USOMNQZGDUBWCQ-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP C[NH+]1CCC([N@@H+](CCCC2CCCCC2)C2CC[NH2+]CC2)CC1 ZINC001237038716 1099940175 /nfs/dbraw/zinc/94/01/75/1099940175.db2.gz USOMNQZGDUBWCQ-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1Br ZINC001237060266 1099942318 /nfs/dbraw/zinc/94/23/18/1099942318.db2.gz ZCWDZTKJEHRDRV-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1Br ZINC001237060266 1099942325 /nfs/dbraw/zinc/94/23/25/1099942325.db2.gz ZCWDZTKJEHRDRV-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(Br)c1 ZINC001237057867 1099950240 /nfs/dbraw/zinc/95/02/40/1099950240.db2.gz ODQDJYCTPYHDQZ-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(Br)c1 ZINC001237057867 1099950249 /nfs/dbraw/zinc/95/02/49/1099950249.db2.gz ODQDJYCTPYHDQZ-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001237059330 1099950294 /nfs/dbraw/zinc/95/02/94/1099950294.db2.gz SPYMUNPXXUFEFC-HNNXBMFYSA-N 2 2 311.267 3.052 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](CCc2cccc(Br)c2)C1 ZINC001237059330 1099950305 /nfs/dbraw/zinc/95/03/05/1099950305.db2.gz SPYMUNPXXUFEFC-HNNXBMFYSA-N 2 2 311.267 3.052 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237057442 1099950819 /nfs/dbraw/zinc/95/08/19/1099950819.db2.gz MRDQQIXMBPAFGI-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237057442 1099950829 /nfs/dbraw/zinc/95/08/29/1099950829.db2.gz MRDQQIXMBPAFGI-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001237059332 1099951385 /nfs/dbraw/zinc/95/13/85/1099951385.db2.gz SPYMUNPXXUFEFC-OAHLLOKOSA-N 2 2 311.267 3.052 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](CCc2cccc(Br)c2)C1 ZINC001237059332 1099951397 /nfs/dbraw/zinc/95/13/97/1099951397.db2.gz SPYMUNPXXUFEFC-OAHLLOKOSA-N 2 2 311.267 3.052 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237079800 1099957484 /nfs/dbraw/zinc/95/74/84/1099957484.db2.gz BPBMXECSHJVXQB-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237079800 1099957494 /nfs/dbraw/zinc/95/74/94/1099957494.db2.gz BPBMXECSHJVXQB-OAHLLOKOSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237079798 1099959114 /nfs/dbraw/zinc/95/91/14/1099959114.db2.gz BPBMXECSHJVXQB-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237079798 1099959123 /nfs/dbraw/zinc/95/91/23/1099959123.db2.gz BPBMXECSHJVXQB-HNNXBMFYSA-N 2 2 316.367 3.275 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082359 1099961461 /nfs/dbraw/zinc/96/14/61/1099961461.db2.gz PHNDOEONVLIGQL-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082359 1099961466 /nfs/dbraw/zinc/96/14/66/1099961466.db2.gz PHNDOEONVLIGQL-OAHLLOKOSA-N 2 2 311.267 3.318 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(OC(C)(C)C)c1)C2 ZINC001237102544 1099970247 /nfs/dbraw/zinc/97/02/47/1099970247.db2.gz BSOFULQOIZWPRS-VQIMIIECSA-N 2 2 302.462 3.247 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C2 ZINC001237102544 1099970255 /nfs/dbraw/zinc/97/02/55/1099970255.db2.gz BSOFULQOIZWPRS-VQIMIIECSA-N 2 2 302.462 3.247 20 0 DGADLP CCCCCCc1csc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)c1 ZINC001237143493 1099994292 /nfs/dbraw/zinc/99/42/92/1099994292.db2.gz GDVWCGBTRIOCMG-GOSISDBHSA-N 2 2 322.518 3.435 20 0 DGADLP CCCCCCc1csc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)c1 ZINC001237143493 1099994304 /nfs/dbraw/zinc/99/43/04/1099994304.db2.gz GDVWCGBTRIOCMG-GOSISDBHSA-N 2 2 322.518 3.435 20 0 DGADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc12 ZINC001237141087 1099994396 /nfs/dbraw/zinc/99/43/96/1099994396.db2.gz CXPYDRJQQHTSHS-HXUWFJFHSA-N 2 2 322.408 3.150 20 0 DGADLP c1ccc2c(c1)oc1ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc12 ZINC001237141087 1099994407 /nfs/dbraw/zinc/99/44/07/1099994407.db2.gz CXPYDRJQQHTSHS-HXUWFJFHSA-N 2 2 322.408 3.150 20 0 DGADLP CCOc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1OC ZINC001237146751 1099996965 /nfs/dbraw/zinc/99/69/65/1099996965.db2.gz VFUAUNUCZYLBEM-KRWDZBQOSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1OC ZINC001237146751 1099996970 /nfs/dbraw/zinc/99/69/70/1099996970.db2.gz VFUAUNUCZYLBEM-KRWDZBQOSA-N 2 2 318.461 3.200 20 0 DGADLP COc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237154196 1100002962 /nfs/dbraw/zinc/00/29/62/1100002962.db2.gz KZMYLKLPGIYVFS-HNNXBMFYSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001237154196 1100002970 /nfs/dbraw/zinc/00/29/70/1100002970.db2.gz KZMYLKLPGIYVFS-HNNXBMFYSA-N 2 2 308.853 3.455 20 0 DGADLP Fc1cccc2c(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccnc12 ZINC001237155728 1100005775 /nfs/dbraw/zinc/00/57/75/1100005775.db2.gz LIPGOQBQLURKHU-INIZCTEOSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1cccc2c(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccnc12 ZINC001237155728 1100005781 /nfs/dbraw/zinc/00/57/81/1100005781.db2.gz LIPGOQBQLURKHU-INIZCTEOSA-N 2 2 313.420 3.480 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccnc4c(Cl)cccc34)C[C@H]2C1 ZINC001237155757 1100005850 /nfs/dbraw/zinc/00/58/50/1100005850.db2.gz WCCDTRYBAZHCBM-HUUCEWRRSA-N 2 2 315.848 3.272 20 0 DGADLP COCC[N@H+](Cc1ccc2cccccc1-2)C1CC[NH+](C)CC1 ZINC001237190916 1100025112 /nfs/dbraw/zinc/02/51/12/1100025112.db2.gz NCYWPOKSDUEQGY-UHFFFAOYSA-N 2 2 312.457 3.334 20 0 DGADLP COCC[N@@H+](Cc1ccc2cccccc1-2)C1CC[NH+](C)CC1 ZINC001237190916 1100025121 /nfs/dbraw/zinc/02/51/21/1100025121.db2.gz NCYWPOKSDUEQGY-UHFFFAOYSA-N 2 2 312.457 3.334 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3C[C@@H]([NH3+])C[C@H]3C)c2)cc1 ZINC001237205790 1100031930 /nfs/dbraw/zinc/03/19/30/1100031930.db2.gz XLROAXQGWBXNDF-KUHUBIRLSA-N 2 2 324.424 3.062 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3C[C@@H]([NH3+])C[C@H]3C)c2)cc1 ZINC001237205790 1100031939 /nfs/dbraw/zinc/03/19/39/1100031939.db2.gz XLROAXQGWBXNDF-KUHUBIRLSA-N 2 2 324.424 3.062 20 0 DGADLP C[N@H+](Cc1ccc2nccc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001237267996 1100052620 /nfs/dbraw/zinc/05/26/20/1100052620.db2.gz PNLMNXQKTMVEIF-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP C[N@@H+](Cc1ccc2nccc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001237267996 1100052631 /nfs/dbraw/zinc/05/26/31/1100052631.db2.gz PNLMNXQKTMVEIF-UHFFFAOYSA-N 2 2 303.837 3.414 20 0 DGADLP Cc1ccnc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237277240 1100055857 /nfs/dbraw/zinc/05/58/57/1100055857.db2.gz NUHUNSJHRKCLQZ-UHFFFAOYSA-N 2 2 307.441 3.027 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)F)c(OC)c3)C[C@@H]2C1 ZINC001237282111 1100058828 /nfs/dbraw/zinc/05/88/28/1100058828.db2.gz LEIORGOOFWNXAU-GJZGRUSLSA-N 2 2 324.415 3.406 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237397198 1100109149 /nfs/dbraw/zinc/10/91/49/1100109149.db2.gz SBMOCGDKHVUYIA-UHFFFAOYSA-N 2 2 305.466 3.055 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237397198 1100109160 /nfs/dbraw/zinc/10/91/60/1100109160.db2.gz SBMOCGDKHVUYIA-UHFFFAOYSA-N 2 2 305.466 3.055 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237404202 1100112153 /nfs/dbraw/zinc/11/21/53/1100112153.db2.gz NJBJVSMBDIQJSU-BLLLJJGKSA-N 2 2 303.837 3.395 20 0 DGADLP Clc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237404202 1100112159 /nfs/dbraw/zinc/11/21/59/1100112159.db2.gz NJBJVSMBDIQJSU-BLLLJJGKSA-N 2 2 303.837 3.395 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001237920836 1100295347 /nfs/dbraw/zinc/29/53/47/1100295347.db2.gz ORZINYIUTCUDQD-KRWDZBQOSA-N 2 2 316.376 3.273 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001237920836 1100295352 /nfs/dbraw/zinc/29/53/52/1100295352.db2.gz ORZINYIUTCUDQD-KRWDZBQOSA-N 2 2 316.376 3.273 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c3ccoc3ccc1F)C2 ZINC001278166867 1100302224 /nfs/dbraw/zinc/30/22/24/1100302224.db2.gz CHBABRDRGLIFJY-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c3ccoc3ccc1F)C2 ZINC001278166867 1100302232 /nfs/dbraw/zinc/30/22/32/1100302232.db2.gz CHBABRDRGLIFJY-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c3ccoc3ccc1F)C2 ZINC001278166867 1100302240 /nfs/dbraw/zinc/30/22/40/1100302240.db2.gz CHBABRDRGLIFJY-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c3ccoc3ccc1F)C2 ZINC001278166867 1100302248 /nfs/dbraw/zinc/30/22/48/1100302248.db2.gz CHBABRDRGLIFJY-SFHVURJKSA-N 2 2 302.393 3.490 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCC[C@H]3C)CC2)c1 ZINC001190873726 1100354715 /nfs/dbraw/zinc/35/47/15/1100354715.db2.gz YACAADATTFXADL-HZPDHXFCSA-N 2 2 303.450 3.039 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001238114798 1100364947 /nfs/dbraw/zinc/36/49/47/1100364947.db2.gz WRLSRYVVLXAJAY-GOSISDBHSA-N 2 2 324.453 3.486 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001238114798 1100364959 /nfs/dbraw/zinc/36/49/59/1100364959.db2.gz WRLSRYVVLXAJAY-GOSISDBHSA-N 2 2 324.453 3.486 20 0 DGADLP C[N@H+](Cc1cccc(-c2cccs2)n1)C1CC[NH+](C)CC1 ZINC001238204935 1100389608 /nfs/dbraw/zinc/38/96/08/1100389608.db2.gz LMVRBDJVIXULDH-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP C[N@@H+](Cc1cccc(-c2cccs2)n1)C1CC[NH+](C)CC1 ZINC001238204935 1100389614 /nfs/dbraw/zinc/38/96/14/1100389614.db2.gz LMVRBDJVIXULDH-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP c1cn(-c2ccc(-c3ccc(C4=CCC[NH2+]CC4)nn3)cc2)c[nH+]1 ZINC001238941002 1100561022 /nfs/dbraw/zinc/56/10/22/1100561022.db2.gz SAAGOYPBKARBGQ-UHFFFAOYSA-N 2 2 317.396 3.096 20 0 DGADLP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c2ccccc21 ZINC001239541978 1100686242 /nfs/dbraw/zinc/68/62/42/1100686242.db2.gz RRELTMMQLNUBCV-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c2ccccc21 ZINC001239541978 1100686244 /nfs/dbraw/zinc/68/62/44/1100686244.db2.gz RRELTMMQLNUBCV-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001239581169 1100694560 /nfs/dbraw/zinc/69/45/60/1100694560.db2.gz XDPMPPLMPVINGW-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001239581169 1100694563 /nfs/dbraw/zinc/69/45/63/1100694563.db2.gz XDPMPPLMPVINGW-INIZCTEOSA-N 2 2 300.377 3.034 20 0 DGADLP Cn1ccc2cc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)ccc21 ZINC001239941981 1100806078 /nfs/dbraw/zinc/80/60/78/1100806078.db2.gz CCVJFKFCOIVGPN-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2cc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)ccc21 ZINC001239941981 1100806082 /nfs/dbraw/zinc/80/60/82/1100806082.db2.gz CCVJFKFCOIVGPN-LJQANCHMSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cncc4ccccc43)c2)C1 ZINC001239948909 1100809215 /nfs/dbraw/zinc/80/92/15/1100809215.db2.gz KPTQOLAOJCKLDG-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cncc4ccccc43)c2)C1 ZINC001239948909 1100809222 /nfs/dbraw/zinc/80/92/22/1100809222.db2.gz KPTQOLAOJCKLDG-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001240035201 1100841659 /nfs/dbraw/zinc/84/16/59/1100841659.db2.gz MXPFQYMQICKQLD-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001240035201 1100841667 /nfs/dbraw/zinc/84/16/67/1100841667.db2.gz MXPFQYMQICKQLD-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1cc2[nH+]ccn2cc1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001240851881 1101157736 /nfs/dbraw/zinc/15/77/36/1101157736.db2.gz BZDFRNSXTWIHEW-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP COc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241030722 1101228702 /nfs/dbraw/zinc/22/87/02/1101228702.db2.gz ZNIQBKNSEJTSKD-QGZVFWFLSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241030722 1101228706 /nfs/dbraw/zinc/22/87/06/1101228706.db2.gz ZNIQBKNSEJTSKD-QGZVFWFLSA-N 2 2 300.377 3.034 20 0 DGADLP CC(C)(C)Oc1ncccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241143933 1101273672 /nfs/dbraw/zinc/27/36/72/1101273672.db2.gz ZMEHNCNKWOSSGV-UHFFFAOYSA-N 2 2 322.412 3.260 20 0 DGADLP C[C@H](c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1)C(F)(F)F ZINC001196632346 1101353312 /nfs/dbraw/zinc/35/33/12/1101353312.db2.gz ORJCLSTXZNCTCB-FWYOQMDTSA-N 2 2 312.379 3.344 20 0 DGADLP C[C@H](c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1)C(F)(F)F ZINC001196632346 1101353326 /nfs/dbraw/zinc/35/33/26/1101353326.db2.gz ORJCLSTXZNCTCB-FWYOQMDTSA-N 2 2 312.379 3.344 20 0 DGADLP C[C@@H](c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1)C(F)(F)F ZINC001196632345 1101354937 /nfs/dbraw/zinc/35/49/37/1101354937.db2.gz ORJCLSTXZNCTCB-DANNLKNASA-N 2 2 312.379 3.344 20 0 DGADLP C[C@@H](c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1)C(F)(F)F ZINC001196632345 1101354947 /nfs/dbraw/zinc/35/49/47/1101354947.db2.gz ORJCLSTXZNCTCB-DANNLKNASA-N 2 2 312.379 3.344 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205787546 1101399116 /nfs/dbraw/zinc/39/91/16/1101399116.db2.gz HWRWVGYIHNWJGT-CQSZACIVSA-N 2 2 312.404 3.280 20 0 DGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205787546 1101399127 /nfs/dbraw/zinc/39/91/27/1101399127.db2.gz HWRWVGYIHNWJGT-CQSZACIVSA-N 2 2 312.404 3.280 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(-n4cccn4)cc3)c2)C1 ZINC001241394366 1101430113 /nfs/dbraw/zinc/43/01/13/1101430113.db2.gz NOYPFMSDMSUQAE-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(-n4cccn4)cc3)c2)C1 ZINC001241394366 1101430119 /nfs/dbraw/zinc/43/01/19/1101430119.db2.gz NOYPFMSDMSUQAE-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001241420027 1101445586 /nfs/dbraw/zinc/44/55/86/1101445586.db2.gz RBKWRAZTPIFQAV-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001241420027 1101445595 /nfs/dbraw/zinc/44/55/95/1101445595.db2.gz RBKWRAZTPIFQAV-HNNXBMFYSA-N 2 2 300.377 3.034 20 0 DGADLP Cc1ccc(SCC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1C ZINC001197104544 1101478875 /nfs/dbraw/zinc/47/88/75/1101478875.db2.gz GYMCTOUWAQKFNF-UHFFFAOYSA-N 2 2 313.470 3.431 20 0 DGADLP Cc1ccc(SCC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1C ZINC001197104544 1101478887 /nfs/dbraw/zinc/47/88/87/1101478887.db2.gz GYMCTOUWAQKFNF-UHFFFAOYSA-N 2 2 313.470 3.431 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807104 1101603882 /nfs/dbraw/zinc/60/38/82/1101603882.db2.gz XUNUNPYAMLFZQA-DGCLKSJQSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001205807104 1101603888 /nfs/dbraw/zinc/60/38/88/1101603888.db2.gz XUNUNPYAMLFZQA-DGCLKSJQSA-N 2 2 302.340 3.144 20 0 DGADLP CCCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001241741511 1101673238 /nfs/dbraw/zinc/67/32/38/1101673238.db2.gz GHOUUZAGQBZLLK-UHFFFAOYSA-N 2 2 307.397 3.477 20 0 DGADLP Cn1ccc2c1cccc2-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001241823958 1101730026 /nfs/dbraw/zinc/73/00/26/1101730026.db2.gz HKLCZBDXRONBMW-INIZCTEOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2c1cccc2-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001241823958 1101730038 /nfs/dbraw/zinc/73/00/38/1101730038.db2.gz HKLCZBDXRONBMW-INIZCTEOSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3scnc3c2)C1 ZINC001241869271 1101757086 /nfs/dbraw/zinc/75/70/86/1101757086.db2.gz GXYRHRQEECHHOR-OAHLLOKOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3scnc3c2)C1 ZINC001241869271 1101757098 /nfs/dbraw/zinc/75/70/98/1101757098.db2.gz GXYRHRQEECHHOR-OAHLLOKOSA-N 2 2 309.438 3.496 20 0 DGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1N(C)C ZINC001242241897 1102003126 /nfs/dbraw/zinc/00/31/26/1102003126.db2.gz FQJPBUIZUXBIFL-LJQANCHMSA-N 2 2 309.457 3.261 20 0 DGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1N(C)C ZINC001242241897 1102003140 /nfs/dbraw/zinc/00/31/40/1102003140.db2.gz FQJPBUIZUXBIFL-LJQANCHMSA-N 2 2 309.457 3.261 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4cnccc4c3)cc2)C1 ZINC001242246618 1102005272 /nfs/dbraw/zinc/00/52/72/1102005272.db2.gz GSPAFJDXJJEMBL-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4cnccc4c3)cc2)C1 ZINC001242246618 1102005286 /nfs/dbraw/zinc/00/52/86/1102005286.db2.gz GSPAFJDXJJEMBL-FQEVSTJZSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1c(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001242288596 1102031568 /nfs/dbraw/zinc/03/15/68/1102031568.db2.gz NBMVSKUOEVUQEG-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001242288596 1102031578 /nfs/dbraw/zinc/03/15/78/1102031578.db2.gz NBMVSKUOEVUQEG-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP FC(F)Oc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001242438986 1102134113 /nfs/dbraw/zinc/13/41/13/1102134113.db2.gz AXOSKKNQDIHKGG-UHFFFAOYSA-N 2 2 315.323 3.290 20 0 DGADLP CC(=O)Nc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC001199752160 1102207510 /nfs/dbraw/zinc/20/75/10/1102207510.db2.gz ZIBKJIGEDJOWLA-UHFFFAOYSA-N 2 2 320.396 3.121 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)c[nH+]1 ZINC001199897433 1102232080 /nfs/dbraw/zinc/23/20/80/1102232080.db2.gz ZHZZGVNVVIKNAQ-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC3CC3)cc2)C1 ZINC001242794911 1102347753 /nfs/dbraw/zinc/34/77/53/1102347753.db2.gz PSXGXYDAKKVSQK-KRWDZBQOSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC3CC3)cc2)C1 ZINC001242794911 1102347762 /nfs/dbraw/zinc/34/77/62/1102347762.db2.gz PSXGXYDAKKVSQK-KRWDZBQOSA-N 2 2 308.425 3.428 20 0 DGADLP CCOc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242938285 1102430202 /nfs/dbraw/zinc/43/02/02/1102430202.db2.gz GRXQALSBXZLGHZ-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242938285 1102430210 /nfs/dbraw/zinc/43/02/10/1102430210.db2.gz GRXQALSBXZLGHZ-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cscc1Br ZINC001205904406 1102450113 /nfs/dbraw/zinc/45/01/13/1102450113.db2.gz UWFFFUKFXBFDSG-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cscc1Br ZINC001205904406 1102450118 /nfs/dbraw/zinc/45/01/18/1102450118.db2.gz UWFFFUKFXBFDSG-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[NH2+]Cc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2F)cc1 ZINC001242993328 1102461523 /nfs/dbraw/zinc/46/15/23/1102461523.db2.gz OAGAKPNBIXILAC-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP Cc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001201536256 1102627611 /nfs/dbraw/zinc/62/76/11/1102627611.db2.gz PAFZZVILOYZMCU-SFHVURJKSA-N 2 2 310.445 3.142 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CCC(C)C)CC2)c(C)[nH+]1 ZINC001201711143 1102698323 /nfs/dbraw/zinc/69/83/23/1102698323.db2.gz BREXAYKBJMZBCR-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(CO)c3Cl)cc2)C1 ZINC001243706632 1102928787 /nfs/dbraw/zinc/92/87/87/1102928787.db2.gz FFKSZOQBSCHOPL-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(CO)c3Cl)cc2)C1 ZINC001243706632 1102928792 /nfs/dbraw/zinc/92/87/92/1102928792.db2.gz FFKSZOQBSCHOPL-MRXNPFEDSA-N 2 2 316.832 3.032 20 0 DGADLP FC(F)(F)CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202394267 1102981498 /nfs/dbraw/zinc/98/14/98/1102981498.db2.gz HGZZSPPDGZPUAY-BETUJISGSA-N 2 2 318.408 3.454 20 0 DGADLP FC(F)(F)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001202394267 1102981504 /nfs/dbraw/zinc/98/15/04/1102981504.db2.gz HGZZSPPDGZPUAY-BETUJISGSA-N 2 2 318.408 3.454 20 0 DGADLP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202394267 1102981511 /nfs/dbraw/zinc/98/15/11/1102981511.db2.gz HGZZSPPDGZPUAY-BETUJISGSA-N 2 2 318.408 3.454 20 0 DGADLP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001202394267 1102981518 /nfs/dbraw/zinc/98/15/18/1102981518.db2.gz HGZZSPPDGZPUAY-BETUJISGSA-N 2 2 318.408 3.454 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccnc(OCC4CC4)c3)cc2)C1 ZINC001243924587 1103057953 /nfs/dbraw/zinc/05/79/53/1103057953.db2.gz SMMXULACVUZZRV-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccnc(OCC4CC4)c3)cc2)C1 ZINC001243924587 1103057969 /nfs/dbraw/zinc/05/79/69/1103057969.db2.gz SMMXULACVUZZRV-IBGZPJMESA-N 2 2 323.440 3.070 20 0 DGADLP FC(F)(F)c1cnc(C2=C[NH2+]CCC2)c(C2=CC[NH2+]CC2)c1 ZINC001243950288 1103075434 /nfs/dbraw/zinc/07/54/34/1103075434.db2.gz WNVKKEPDGDUCSF-UHFFFAOYSA-N 2 2 309.335 3.201 20 0 DGADLP Cc1nc2ccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc2o1 ZINC001243963206 1103087807 /nfs/dbraw/zinc/08/78/07/1103087807.db2.gz FAVQJYJGZGAPBO-INIZCTEOSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1nc2ccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc2o1 ZINC001243963206 1103087823 /nfs/dbraw/zinc/08/78/23/1103087823.db2.gz FAVQJYJGZGAPBO-INIZCTEOSA-N 2 2 307.397 3.336 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001325657787 1103095400 /nfs/dbraw/zinc/09/54/00/1103095400.db2.gz DGMBBRFWDUJECJ-UONOGXRCSA-N 2 2 307.507 3.088 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001325657787 1103095414 /nfs/dbraw/zinc/09/54/14/1103095414.db2.gz DGMBBRFWDUJECJ-UONOGXRCSA-N 2 2 307.507 3.088 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001325659888 1103096347 /nfs/dbraw/zinc/09/63/47/1103096347.db2.gz NYGIHGIRUQCQJY-CQSZACIVSA-N 2 2 309.885 3.226 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001325659888 1103096360 /nfs/dbraw/zinc/09/63/60/1103096360.db2.gz NYGIHGIRUQCQJY-CQSZACIVSA-N 2 2 309.885 3.226 20 0 DGADLP c1c[nH]c(-c2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2)n1 ZINC001243977603 1103102309 /nfs/dbraw/zinc/10/23/09/1103102309.db2.gz OFMSECJZBKIHMJ-UHFFFAOYSA-N 2 2 315.380 3.078 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(-c3ncc[nH]3)cc2)C1 ZINC001243979964 1103104286 /nfs/dbraw/zinc/10/42/86/1103104286.db2.gz VELJFAKFDYYNLF-GOSISDBHSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(-c3ncc[nH]3)cc2)C1 ZINC001243979964 1103104290 /nfs/dbraw/zinc/10/42/90/1103104290.db2.gz VELJFAKFDYYNLF-GOSISDBHSA-N 2 2 318.424 3.277 20 0 DGADLP O=C1CCCc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc21 ZINC001243995327 1103117078 /nfs/dbraw/zinc/11/70/78/1103117078.db2.gz AXRQGVIDJDUDAG-UHFFFAOYSA-N 2 2 317.392 3.207 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC12CN(Cc1c[nH+]c(C)n1C)C2 ZINC001276304765 1103264885 /nfs/dbraw/zinc/26/48/85/1103264885.db2.gz KYBHPWTZUDBXJW-QGZVFWFLSA-N 2 2 318.509 3.205 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4cc[nH]c(=O)c4c3)c2)C1 ZINC001244312249 1103351514 /nfs/dbraw/zinc/35/15/14/1103351514.db2.gz KALYUMRWEYIHQJ-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4cc[nH]c(=O)c4c3)c2)C1 ZINC001244312249 1103351529 /nfs/dbraw/zinc/35/15/29/1103351529.db2.gz KALYUMRWEYIHQJ-SFHVURJKSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@H](CC1CCCCC1)c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326979120 1103491302 /nfs/dbraw/zinc/49/13/02/1103491302.db2.gz SMPURWNZFDDGHQ-HUUCEWRRSA-N 2 2 300.406 3.088 20 0 DGADLP [NH3+][C@H](CC1CCCCC1)c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326979116 1103492068 /nfs/dbraw/zinc/49/20/68/1103492068.db2.gz SMPURWNZFDDGHQ-CABCVRRESA-N 2 2 300.406 3.088 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC001327839431 1103740211 /nfs/dbraw/zinc/74/02/11/1103740211.db2.gz HRULIIURGWUURH-WDEREUQCSA-N 2 2 315.255 3.106 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244918116 1103760837 /nfs/dbraw/zinc/76/08/37/1103760837.db2.gz GKTSGLOTUXZLCF-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1cc(Cl)ncc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244918116 1103760847 /nfs/dbraw/zinc/76/08/47/1103760847.db2.gz GKTSGLOTUXZLCF-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP CCOc1cc(C)cc(F)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001245015250 1103802307 /nfs/dbraw/zinc/80/23/07/1103802307.db2.gz VWZUQBZWAUQNSU-UHFFFAOYSA-N 2 2 315.392 3.004 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCNc1ccccc1 ZINC001328356043 1103920364 /nfs/dbraw/zinc/92/03/64/1103920364.db2.gz PXZIPNIQTATSOE-UHFFFAOYSA-N 2 2 321.384 3.016 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3nccnc3c2)C2CCCC2)CC1 ZINC001137092152 1103973616 /nfs/dbraw/zinc/97/36/16/1103973616.db2.gz DPEFCKLVRDBXBR-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3nccnc3c2)C2CCCC2)CC1 ZINC001137092152 1103973622 /nfs/dbraw/zinc/97/36/22/1103973622.db2.gz DPEFCKLVRDBXBR-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP c1cn(Cc2ccccc2C2=CC[C@H]([NH+]3CCOCC3)CC2)c[nH+]1 ZINC001245423771 1104042750 /nfs/dbraw/zinc/04/27/50/1104042750.db2.gz DJWVGEZXAKKYOE-IBGZPJMESA-N 2 2 323.440 3.200 20 0 DGADLP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(Cl)c1 ZINC001245510381 1104094364 /nfs/dbraw/zinc/09/43/64/1104094364.db2.gz VNLFVXYKRDSQEQ-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(Cl)c1 ZINC001245510381 1104094376 /nfs/dbraw/zinc/09/43/76/1104094376.db2.gz VNLFVXYKRDSQEQ-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP CCc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1OC ZINC001245791754 1104239738 /nfs/dbraw/zinc/23/97/38/1104239738.db2.gz HPHOJXIKQMTQMU-LJQANCHMSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1OC ZINC001245791754 1104239746 /nfs/dbraw/zinc/23/97/46/1104239746.db2.gz HPHOJXIKQMTQMU-LJQANCHMSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1OC ZINC001245793699 1104241053 /nfs/dbraw/zinc/24/10/53/1104241053.db2.gz XZQJJANINANFIQ-SFHVURJKSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1OC ZINC001245793699 1104241061 /nfs/dbraw/zinc/24/10/61/1104241061.db2.gz XZQJJANINANFIQ-SFHVURJKSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1OC ZINC001245793697 1104241148 /nfs/dbraw/zinc/24/11/48/1104241148.db2.gz XZQJJANINANFIQ-GOSISDBHSA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1OC ZINC001245793697 1104241158 /nfs/dbraw/zinc/24/11/58/1104241158.db2.gz XZQJJANINANFIQ-GOSISDBHSA-N 2 2 310.441 3.458 20 0 DGADLP CCCCC[C@@H](O)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246035929 1104357836 /nfs/dbraw/zinc/35/78/36/1104357836.db2.gz VCSAFSLEWHPLOC-VAMGGRTRSA-N 2 2 316.489 3.149 20 0 DGADLP CCCCC[C@@H](O)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246035929 1104357848 /nfs/dbraw/zinc/35/78/48/1104357848.db2.gz VCSAFSLEWHPLOC-VAMGGRTRSA-N 2 2 316.489 3.149 20 0 DGADLP CCCC[C@@H](O)C[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054022 1104360279 /nfs/dbraw/zinc/36/02/79/1104360279.db2.gz BWAJFQAAOLAYCK-GOSISDBHSA-N 2 2 322.468 3.239 20 0 DGADLP CCCC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054022 1104360291 /nfs/dbraw/zinc/36/02/91/1104360291.db2.gz BWAJFQAAOLAYCK-GOSISDBHSA-N 2 2 322.468 3.239 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246074456 1104366387 /nfs/dbraw/zinc/36/63/87/1104366387.db2.gz DTXGYZMTQFYQBC-ROUUACIJSA-N 2 2 300.833 3.487 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccccc1 ZINC001246078861 1104374885 /nfs/dbraw/zinc/37/48/85/1104374885.db2.gz XJZKBISQWMFEBV-CZUORRHYSA-N 2 2 320.358 3.251 20 0 DGADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246086567 1104377683 /nfs/dbraw/zinc/37/76/83/1104377683.db2.gz DOHAJJPHMFCQSQ-PXNSSMCTSA-N 2 2 324.468 3.175 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246097332 1104384707 /nfs/dbraw/zinc/38/47/07/1104384707.db2.gz NVCAPNFZZASYIR-KNCVXQGMSA-N 2 2 302.437 3.103 20 0 DGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)CC[NH2+]1 ZINC001246110273 1104391028 /nfs/dbraw/zinc/39/10/28/1104391028.db2.gz HZYLFYQITVTFQC-NEWSRXKRSA-N 3 2 319.468 3.049 20 0 DGADLP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]3CCOC34C[NH2+]C4)CC2)CC1 ZINC001246127658 1104397741 /nfs/dbraw/zinc/39/77/41/1104397741.db2.gz OSOOQAVYIFPNNM-XBBDAYDNSA-N 2 2 320.521 3.482 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246165543 1104412974 /nfs/dbraw/zinc/41/29/74/1104412974.db2.gz JENQKLUWSHHQCF-CABCVRRESA-N 2 2 300.368 3.487 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]1 ZINC001246168287 1104415944 /nfs/dbraw/zinc/41/59/44/1104415944.db2.gz JMXACURIQRUCIU-ROUUACIJSA-N 3 2 312.461 3.273 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cc(OC(F)(F)F)ccc2F)C[C@H](C)[NH2+]1 ZINC001246222916 1104445217 /nfs/dbraw/zinc/44/52/17/1104445217.db2.gz OUVBSDLRFBFRMK-UWVGGRQHSA-N 2 2 320.330 3.343 20 0 DGADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246241115 1104454294 /nfs/dbraw/zinc/45/42/94/1104454294.db2.gz UIVYVLWLNFRWFM-NDXORKPFSA-N 2 2 324.468 3.174 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC001246243605 1104455805 /nfs/dbraw/zinc/45/58/05/1104455805.db2.gz JNQLOSRBZWSFDF-RLLQIKCJSA-N 3 2 315.505 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC001246243605 1104455809 /nfs/dbraw/zinc/45/58/09/1104455809.db2.gz JNQLOSRBZWSFDF-RLLQIKCJSA-N 3 2 315.505 3.161 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2F)CC[NH2+]1 ZINC001246249357 1104458633 /nfs/dbraw/zinc/45/86/33/1104458633.db2.gz OYJGKXVELUDLCO-OLZOCXBDSA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246280291 1104472410 /nfs/dbraw/zinc/47/24/10/1104472410.db2.gz SSCHVIXGKFTPPP-CRAIPNDOSA-N 2 2 302.368 3.112 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C[NH2+]1 ZINC001246291774 1104475418 /nfs/dbraw/zinc/47/54/18/1104475418.db2.gz IKTYQFCVDHBBEC-PSOPSSQASA-N 2 2 309.251 3.167 20 0 DGADLP c1csc([C@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246296229 1104476730 /nfs/dbraw/zinc/47/67/30/1104476730.db2.gz RFQZIBILIWOENZ-WFVVYAPDSA-N 2 2 313.470 3.300 20 0 DGADLP [NH3+][C@@]12CC[C@@]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)(C1)CCC2 ZINC001246341066 1104498997 /nfs/dbraw/zinc/49/89/97/1104498997.db2.gz OEBOIVJLZFSOLF-VQTJNVASSA-N 3 2 313.489 3.045 20 0 DGADLP C[NH2+]CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC001246379530 1104516647 /nfs/dbraw/zinc/51/66/47/1104516647.db2.gz PSQMOEGOAVGISO-ZJUUUORDSA-N 2 2 303.219 3.237 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2Cl)CC[NH2+]1 ZINC001246396314 1104525621 /nfs/dbraw/zinc/52/56/21/1104525621.db2.gz OQNGPWWDFCMBCK-JKIFEVAISA-N 2 2 310.869 3.274 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246438920 1104540735 /nfs/dbraw/zinc/54/07/35/1104540735.db2.gz KWRJXXCAIGIFMZ-CJNGLKHVSA-N 2 2 308.853 3.076 20 0 DGADLP Fc1ccc([C@@H](CC2CCOCC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246454798 1104545898 /nfs/dbraw/zinc/54/58/98/1104545898.db2.gz GZYWEAULAHFLAX-RTBURBONSA-N 2 2 320.452 3.415 20 0 DGADLP CCCC(C[NH3+])(CCC)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246495906 1104565436 /nfs/dbraw/zinc/56/54/36/1104565436.db2.gz LWKOGFCHOFQNOY-GOSISDBHSA-N 2 2 303.494 3.148 20 0 DGADLP CCCC(C[NH3+])(CCC)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246495906 1104565446 /nfs/dbraw/zinc/56/54/46/1104565446.db2.gz LWKOGFCHOFQNOY-GOSISDBHSA-N 2 2 303.494 3.148 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H](C)Cc2ccc(F)cc2)c1 ZINC001246513602 1104572276 /nfs/dbraw/zinc/57/22/76/1104572276.db2.gz YDRRJIOHGZPEEB-UGSOOPFHSA-N 2 2 302.393 3.055 20 0 DGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H](C)Cc2cccc(F)c2)c1 ZINC001246513916 1104572471 /nfs/dbraw/zinc/57/24/71/1104572471.db2.gz YHJTYZAEQYQIII-ACJLOTCBSA-N 2 2 302.393 3.055 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CCC=C(C)C)cc1 ZINC001246524052 1104577619 /nfs/dbraw/zinc/57/76/19/1104577619.db2.gz IRTYMCWKLFRVSY-RHSMWYFYSA-N 2 2 304.434 3.198 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCC(C)(C)C2)cc1 ZINC001246527084 1104578516 /nfs/dbraw/zinc/57/85/16/1104578516.db2.gz RSEODPVQPHAXLY-CVEARBPZSA-N 2 2 304.434 3.031 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1[C@@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246548211 1104588286 /nfs/dbraw/zinc/58/82/86/1104588286.db2.gz SZFVMFRFVFPBFE-XQQFMLRXSA-N 2 2 308.853 3.018 20 0 DGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1[C@@H](C)CC[C@H]1C[NH3+])CC2 ZINC001246548211 1104588293 /nfs/dbraw/zinc/58/82/93/1104588293.db2.gz SZFVMFRFVFPBFE-XQQFMLRXSA-N 2 2 308.853 3.018 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246549303 1104590083 /nfs/dbraw/zinc/59/00/83/1104590083.db2.gz ICRWTIOOWFTSJY-YZGWKJHDSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@](C)([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246549303 1104590093 /nfs/dbraw/zinc/59/00/93/1104590093.db2.gz ICRWTIOOWFTSJY-YZGWKJHDSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549303 1104590101 /nfs/dbraw/zinc/59/01/01/1104590101.db2.gz ICRWTIOOWFTSJY-YZGWKJHDSA-N 3 2 315.505 3.243 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246549303 1104590108 /nfs/dbraw/zinc/59/01/08/1104590108.db2.gz ICRWTIOOWFTSJY-YZGWKJHDSA-N 3 2 315.505 3.243 20 0 DGADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246551209 1104590209 /nfs/dbraw/zinc/59/02/09/1104590209.db2.gz PYMUGBLYUMTMCU-VMWRSERWSA-N 2 2 322.880 3.286 20 0 DGADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246551209 1104590215 /nfs/dbraw/zinc/59/02/15/1104590215.db2.gz PYMUGBLYUMTMCU-VMWRSERWSA-N 2 2 322.880 3.286 20 0 DGADLP Cc1cccc2c1cc[nH+]c2NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330620836 1104595320 /nfs/dbraw/zinc/59/53/20/1104595320.db2.gz HCAOLNDCAAJKPC-MRXNPFEDSA-N 2 2 311.429 3.208 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246575232 1104601308 /nfs/dbraw/zinc/60/13/08/1104601308.db2.gz ZXUBIKCBDPEWHD-KMUNFCNLSA-N 2 2 302.796 3.171 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246575232 1104601315 /nfs/dbraw/zinc/60/13/15/1104601315.db2.gz ZXUBIKCBDPEWHD-KMUNFCNLSA-N 2 2 302.796 3.171 20 0 DGADLP CC[C@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066496 1104605538 /nfs/dbraw/zinc/60/55/38/1104605538.db2.gz XCCWCIHCQSPFHM-LPHOPBHVSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275066496 1104605546 /nfs/dbraw/zinc/60/55/46/1104605546.db2.gz XCCWCIHCQSPFHM-LPHOPBHVSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066496 1104605550 /nfs/dbraw/zinc/60/55/50/1104605550.db2.gz XCCWCIHCQSPFHM-LPHOPBHVSA-N 2 2 318.509 3.063 20 0 DGADLP CC[C@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275066496 1104605554 /nfs/dbraw/zinc/60/55/54/1104605554.db2.gz XCCWCIHCQSPFHM-LPHOPBHVSA-N 2 2 318.509 3.063 20 0 DGADLP CC(C)[N@H+]([C@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589889 1104608059 /nfs/dbraw/zinc/60/80/59/1104608059.db2.gz GDVKZOLBTXMJQV-HSALFYBXSA-N 3 2 315.505 3.332 20 0 DGADLP CC(C)[N@@H+]([C@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589889 1104608061 /nfs/dbraw/zinc/60/80/61/1104608061.db2.gz GDVKZOLBTXMJQV-HSALFYBXSA-N 3 2 315.505 3.332 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC001246593932 1104612482 /nfs/dbraw/zinc/61/24/82/1104612482.db2.gz PEFXWTQWYHAJHA-RLLQIKCJSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001246593932 1104612486 /nfs/dbraw/zinc/61/24/86/1104612486.db2.gz PEFXWTQWYHAJHA-RLLQIKCJSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593932 1104612489 /nfs/dbraw/zinc/61/24/89/1104612489.db2.gz PEFXWTQWYHAJHA-RLLQIKCJSA-N 3 2 315.505 3.100 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC[NH+]1Cc1ccccc1 ZINC001246593932 1104612494 /nfs/dbraw/zinc/61/24/94/1104612494.db2.gz PEFXWTQWYHAJHA-RLLQIKCJSA-N 3 2 315.505 3.100 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246605410 1104622938 /nfs/dbraw/zinc/62/29/38/1104622938.db2.gz BXWHLWGQPLRNEX-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246605410 1104622942 /nfs/dbraw/zinc/62/29/42/1104622942.db2.gz BXWHLWGQPLRNEX-CRAIPNDOSA-N 2 2 304.865 3.415 20 0 DGADLP CC(C)CC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275096545 1104623137 /nfs/dbraw/zinc/62/31/37/1104623137.db2.gz MVGSNCJPRGTLFA-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275096545 1104623141 /nfs/dbraw/zinc/62/31/41/1104623141.db2.gz MVGSNCJPRGTLFA-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275096545 1104623143 /nfs/dbraw/zinc/62/31/43/1104623143.db2.gz MVGSNCJPRGTLFA-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)CC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275096545 1104623146 /nfs/dbraw/zinc/62/31/46/1104623146.db2.gz MVGSNCJPRGTLFA-SFHVURJKSA-N 2 2 304.482 3.134 20 0 DGADLP CSCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109784 1104630107 /nfs/dbraw/zinc/63/01/07/1104630107.db2.gz ONUDYANNVULIAY-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP CSCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275109784 1104630110 /nfs/dbraw/zinc/63/01/10/1104630110.db2.gz ONUDYANNVULIAY-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP CSCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109784 1104630112 /nfs/dbraw/zinc/63/01/12/1104630112.db2.gz ONUDYANNVULIAY-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP CSCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275109784 1104630115 /nfs/dbraw/zinc/63/01/15/1104630115.db2.gz ONUDYANNVULIAY-SFHVURJKSA-N 2 2 321.534 3.446 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621788 1104633428 /nfs/dbraw/zinc/63/34/28/1104633428.db2.gz QADVJACLTXZNOR-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)C1)CC2 ZINC001246621788 1104633431 /nfs/dbraw/zinc/63/34/31/1104633431.db2.gz QADVJACLTXZNOR-MAUKXSAKSA-N 2 2 306.400 3.040 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630949 1104636316 /nfs/dbraw/zinc/63/63/16/1104636316.db2.gz MGMMLUYQGUFRRA-CJNGLKHVSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246630949 1104636322 /nfs/dbraw/zinc/63/63/22/1104636322.db2.gz MGMMLUYQGUFRRA-CJNGLKHVSA-N 2 2 323.278 3.066 20 0 DGADLP C1CCC2(CC1)CCC([N@@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)CC2 ZINC001246646510 1104643471 /nfs/dbraw/zinc/64/34/71/1104643471.db2.gz FOSIBWGMDGABLV-LJQANCHMSA-N 2 2 306.494 3.334 20 0 DGADLP C1CCC2(CC1)CCC([N@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)CC2 ZINC001246646510 1104643478 /nfs/dbraw/zinc/64/34/78/1104643478.db2.gz FOSIBWGMDGABLV-LJQANCHMSA-N 2 2 306.494 3.334 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246648448 1104644896 /nfs/dbraw/zinc/64/48/96/1104644896.db2.gz YTXRCLFDLBFTKG-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)C2 ZINC001246648448 1104644899 /nfs/dbraw/zinc/64/48/99/1104644899.db2.gz YTXRCLFDLBFTKG-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652117 1104649703 /nfs/dbraw/zinc/64/97/03/1104649703.db2.gz NXDBBAQEWPLENS-AEFFLSMTSA-N 2 2 310.482 3.107 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652117 1104649708 /nfs/dbraw/zinc/64/97/08/1104649708.db2.gz NXDBBAQEWPLENS-AEFFLSMTSA-N 2 2 310.482 3.107 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246652415 1104649825 /nfs/dbraw/zinc/64/98/25/1104649825.db2.gz OOSROCIAOAHTNL-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246652415 1104649830 /nfs/dbraw/zinc/64/98/30/1104649830.db2.gz OOSROCIAOAHTNL-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717832 1104666037 /nfs/dbraw/zinc/66/60/37/1104666037.db2.gz WQCSIKQDIBEQMH-GTAWCEEGSA-N 2 2 314.473 3.166 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717832 1104666042 /nfs/dbraw/zinc/66/60/42/1104666042.db2.gz WQCSIKQDIBEQMH-GTAWCEEGSA-N 2 2 314.473 3.166 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774413 1104668426 /nfs/dbraw/zinc/66/84/26/1104668426.db2.gz FARGNRQHPIZNRZ-FUMNGEBKSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774413 1104668431 /nfs/dbraw/zinc/66/84/31/1104668431.db2.gz FARGNRQHPIZNRZ-FUMNGEBKSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCN(C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774418 1104668943 /nfs/dbraw/zinc/66/89/43/1104668943.db2.gz FARGNRQHPIZNRZ-YRPNKDGESA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCN(C)[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774418 1104668948 /nfs/dbraw/zinc/66/89/48/1104668948.db2.gz FARGNRQHPIZNRZ-YRPNKDGESA-N 2 2 315.505 3.284 20 0 DGADLP OCc1ccc(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001275223528 1104681956 /nfs/dbraw/zinc/68/19/56/1104681956.db2.gz QFBNKEIYPDJYAY-UHFFFAOYSA-N 2 2 314.473 3.019 20 0 DGADLP OCc1ccc(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001275223528 1104681960 /nfs/dbraw/zinc/68/19/60/1104681960.db2.gz QFBNKEIYPDJYAY-UHFFFAOYSA-N 2 2 314.473 3.019 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001275240933 1104687542 /nfs/dbraw/zinc/68/75/42/1104687542.db2.gz NTSYRPLYYQSAQY-HNNXBMFYSA-N 2 2 317.477 3.295 20 0 DGADLP C[NH2+]CC[C@H](C)[N@H+](C)Cc1cccc(Br)c1F ZINC001246815118 1104688278 /nfs/dbraw/zinc/68/82/78/1104688278.db2.gz WMPXLOHRJJCSBP-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1cccc(Br)c1F ZINC001246815118 1104688283 /nfs/dbraw/zinc/68/82/83/1104688283.db2.gz WMPXLOHRJJCSBP-JTQLQIEISA-N 2 2 303.219 3.018 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822040 1104691760 /nfs/dbraw/zinc/69/17/60/1104691760.db2.gz LONSBRRSSVOHRZ-IVMMDQJWSA-N 2 2 323.278 3.379 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)C[NH2+]1 ZINC001246822040 1104691763 /nfs/dbraw/zinc/69/17/63/1104691763.db2.gz LONSBRRSSVOHRZ-IVMMDQJWSA-N 2 2 323.278 3.379 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)CCO2)cc1 ZINC001246839779 1104700715 /nfs/dbraw/zinc/70/07/15/1104700715.db2.gz LYYSESUEJHMSHR-NBMJBFSESA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)CCO2)cc1 ZINC001246839779 1104700723 /nfs/dbraw/zinc/70/07/23/1104700723.db2.gz LYYSESUEJHMSHR-NBMJBFSESA-N 2 2 302.462 3.071 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2CC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246845804 1104705970 /nfs/dbraw/zinc/70/59/70/1104705970.db2.gz LZQPUJRNVYXCNB-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]2CC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246845804 1104705976 /nfs/dbraw/zinc/70/59/76/1104705976.db2.gz LZQPUJRNVYXCNB-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246845804 1104705983 /nfs/dbraw/zinc/70/59/83/1104705983.db2.gz LZQPUJRNVYXCNB-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2CC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246845804 1104705990 /nfs/dbraw/zinc/70/59/90/1104705990.db2.gz LZQPUJRNVYXCNB-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP Clc1ccc(O[C@H]2CCC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849055 1104706599 /nfs/dbraw/zinc/70/65/99/1104706599.db2.gz DLIBXWXXIWWLSJ-WBVHZDCISA-N 2 2 308.853 3.325 20 0 DGADLP Clc1ccc(O[C@H]2CCC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849055 1104706606 /nfs/dbraw/zinc/70/66/06/1104706606.db2.gz DLIBXWXXIWWLSJ-WBVHZDCISA-N 2 2 308.853 3.325 20 0 DGADLP Clc1ccc(O[C@H]2CCC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849052 1104706832 /nfs/dbraw/zinc/70/68/32/1104706832.db2.gz DLIBXWXXIWWLSJ-RDJZCZTQSA-N 2 2 308.853 3.325 20 0 DGADLP Clc1ccc(O[C@H]2CCC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246849052 1104706840 /nfs/dbraw/zinc/70/68/40/1104706840.db2.gz DLIBXWXXIWWLSJ-RDJZCZTQSA-N 2 2 308.853 3.325 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[NH+]1CCC[NH2+]CCC1 ZINC001246905847 1104729618 /nfs/dbraw/zinc/72/96/18/1104729618.db2.gz OFKFCZDQVOULFO-CYBMUJFWSA-N 2 2 311.267 3.066 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939406 1104744529 /nfs/dbraw/zinc/74/45/29/1104744529.db2.gz VDEHVEMRDUGSRL-GBESFXJTSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939406 1104744534 /nfs/dbraw/zinc/74/45/34/1104744534.db2.gz VDEHVEMRDUGSRL-GBESFXJTSA-N 2 2 320.452 3.337 20 0 DGADLP Fc1cccc(C[N@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCCSC2)c1 ZINC001246938113 1104745020 /nfs/dbraw/zinc/74/50/20/1104745020.db2.gz QSILNSLWKHWVLV-IRXDYDNUSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1cccc(C[N@@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCCSC2)c1 ZINC001246938113 1104745022 /nfs/dbraw/zinc/74/50/22/1104745022.db2.gz QSILNSLWKHWVLV-IRXDYDNUSA-N 2 2 308.466 3.275 20 0 DGADLP C[C@H]1CC([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001246953015 1104750988 /nfs/dbraw/zinc/75/09/88/1104750988.db2.gz OHUCLGCVWAIEIZ-NUJGCVRESA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001246953015 1104750990 /nfs/dbraw/zinc/75/09/90/1104750990.db2.gz OHUCLGCVWAIEIZ-NUJGCVRESA-N 2 2 301.478 3.460 20 0 DGADLP COC(=O)CC1CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975279 1104757948 /nfs/dbraw/zinc/75/79/48/1104757948.db2.gz BOCFCQOKRAPRLF-VJFUWPCTSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)CC1CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246975279 1104757951 /nfs/dbraw/zinc/75/79/51/1104757951.db2.gz BOCFCQOKRAPRLF-VJFUWPCTSA-N 2 2 322.493 3.105 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979957 1104761497 /nfs/dbraw/zinc/76/14/97/1104761497.db2.gz PKUWLGWQLSSWBV-PKOBYXMFSA-N 3 2 309.542 3.494 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246979957 1104761501 /nfs/dbraw/zinc/76/15/01/1104761501.db2.gz PKUWLGWQLSSWBV-PKOBYXMFSA-N 3 2 309.542 3.494 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2OCO3)C[C@H](CC)[NH2+]1 ZINC001246996724 1104769404 /nfs/dbraw/zinc/76/94/04/1104769404.db2.gz ZKGIFRZXBIVQOE-ZSHCYNCHSA-N 2 2 304.434 3.156 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2OCO3)C[C@H](CC)[NH2+]1 ZINC001246996724 1104769410 /nfs/dbraw/zinc/76/94/10/1104769410.db2.gz ZKGIFRZXBIVQOE-ZSHCYNCHSA-N 2 2 304.434 3.156 20 0 DGADLP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606846 1104830963 /nfs/dbraw/zinc/83/09/63/1104830963.db2.gz HXBSUWNWGIPNEB-FDMDGMSGSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606846 1104830969 /nfs/dbraw/zinc/83/09/69/1104830969.db2.gz HXBSUWNWGIPNEB-FDMDGMSGSA-N 2 2 317.477 3.413 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001275740141 1104889638 /nfs/dbraw/zinc/88/96/38/1104889638.db2.gz FFYINMNORRKZKN-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275740141 1104889647 /nfs/dbraw/zinc/88/96/47/1104889647.db2.gz FFYINMNORRKZKN-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275740141 1104889653 /nfs/dbraw/zinc/88/96/53/1104889653.db2.gz FFYINMNORRKZKN-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275740141 1104889661 /nfs/dbraw/zinc/88/96/61/1104889661.db2.gz FFYINMNORRKZKN-LJQANCHMSA-N 2 2 318.509 3.173 20 0 DGADLP CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275780902 1104903918 /nfs/dbraw/zinc/90/39/18/1104903918.db2.gz LNPQTBXRGMLEKX-DLBZAZTESA-N 2 2 317.477 3.295 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001275810696 1104917112 /nfs/dbraw/zinc/91/71/12/1104917112.db2.gz IFCJNVFEDDCDDU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001275810696 1104917118 /nfs/dbraw/zinc/91/71/18/1104917118.db2.gz IFCJNVFEDDCDDU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001275810696 1104917123 /nfs/dbraw/zinc/91/71/23/1104917123.db2.gz IFCJNVFEDDCDDU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001275810696 1104917125 /nfs/dbraw/zinc/91/71/25/1104917125.db2.gz IFCJNVFEDDCDDU-IBGZPJMESA-N 2 2 318.461 3.012 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873733 1104939160 /nfs/dbraw/zinc/93/91/60/1104939160.db2.gz DUOMWFIYIGHHGY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873733 1104939163 /nfs/dbraw/zinc/93/91/63/1104939163.db2.gz DUOMWFIYIGHHGY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873733 1104939167 /nfs/dbraw/zinc/93/91/67/1104939167.db2.gz DUOMWFIYIGHHGY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)n1 ZINC001275873733 1104939172 /nfs/dbraw/zinc/93/91/72/1104939172.db2.gz DUOMWFIYIGHHGY-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC[NH+](Cc4ccncc4)C3)C2)c1 ZINC001275889171 1104946013 /nfs/dbraw/zinc/94/60/13/1104946013.db2.gz OTZIGCPEOZKRBF-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@@]3(CCC[NH+](Cc4ccncc4)C3)C2)c1 ZINC001275889171 1104946016 /nfs/dbraw/zinc/94/60/16/1104946016.db2.gz OTZIGCPEOZKRBF-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@H+](Cc4ccncc4)C3)C2)c1 ZINC001275889171 1104946021 /nfs/dbraw/zinc/94/60/21/1104946021.db2.gz OTZIGCPEOZKRBF-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@@H+](Cc4ccncc4)C3)C2)c1 ZINC001275889171 1104946026 /nfs/dbraw/zinc/94/60/26/1104946026.db2.gz OTZIGCPEOZKRBF-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1 ZINC001247702365 1104959641 /nfs/dbraw/zinc/95/96/41/1104959641.db2.gz WCQCJUAWCYJLGZ-OAHLLOKOSA-N 2 2 320.352 3.108 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3scnc3c1)C2 ZINC001275999945 1104983986 /nfs/dbraw/zinc/98/39/86/1104983986.db2.gz OHORIFLCJRELAJ-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3scnc3c1)C2 ZINC001275999945 1104983992 /nfs/dbraw/zinc/98/39/92/1104983992.db2.gz OHORIFLCJRELAJ-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3scnc3c1)C2 ZINC001275999945 1104983999 /nfs/dbraw/zinc/98/39/99/1104983999.db2.gz OHORIFLCJRELAJ-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001275999945 1104984004 /nfs/dbraw/zinc/98/40/04/1104984004.db2.gz OHORIFLCJRELAJ-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP c1[nH]c2cccnc2c1C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276041714 1105004336 /nfs/dbraw/zinc/00/43/36/1105004336.db2.gz ONEBVMNUDBDPEN-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1[nH]c2cccnc2c1C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276041714 1105004344 /nfs/dbraw/zinc/00/43/44/1105004344.db2.gz ONEBVMNUDBDPEN-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP CCCCc1[nH]c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c[nH+]1 ZINC001276217415 1105052295 /nfs/dbraw/zinc/05/22/95/1105052295.db2.gz GLGZGNCVDKAFDV-ROUUACIJSA-N 2 2 316.493 3.344 20 0 DGADLP CCCCc1[nH]c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c[nH+]1 ZINC001276217415 1105052301 /nfs/dbraw/zinc/05/23/01/1105052301.db2.gz GLGZGNCVDKAFDV-ROUUACIJSA-N 2 2 316.493 3.344 20 0 DGADLP CCCCc1[nH]cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)[nH+]1 ZINC001276217415 1105052304 /nfs/dbraw/zinc/05/23/04/1105052304.db2.gz GLGZGNCVDKAFDV-ROUUACIJSA-N 2 2 316.493 3.344 20 0 DGADLP CCCCc1[nH]cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)[nH+]1 ZINC001276217415 1105052310 /nfs/dbraw/zinc/05/23/10/1105052310.db2.gz GLGZGNCVDKAFDV-ROUUACIJSA-N 2 2 316.493 3.344 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276224086 1105053649 /nfs/dbraw/zinc/05/36/49/1105053649.db2.gz XMTGEKTZROSJRT-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276224086 1105053656 /nfs/dbraw/zinc/05/36/56/1105053656.db2.gz XMTGEKTZROSJRT-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276224086 1105053662 /nfs/dbraw/zinc/05/36/62/1105053662.db2.gz XMTGEKTZROSJRT-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276224086 1105053669 /nfs/dbraw/zinc/05/36/69/1105053669.db2.gz XMTGEKTZROSJRT-IBGZPJMESA-N 2 2 317.477 3.095 20 0 DGADLP NC1=C[N@@H+](c2cc3cccnc3[nH]2)C=C(c2cccc(F)c2)C1=[NH2+] ZINC001248707263 1105148133 /nfs/dbraw/zinc/14/81/33/1105148133.db2.gz VGBLTHFJXPAQLR-UHFFFAOYSA-N 2 2 319.343 3.221 20 0 DGADLP NC1=C[N@H+](c2cc3cccnc3[nH]2)C=C(c2cccc(F)c2)C1=[NH2+] ZINC001248707263 1105148135 /nfs/dbraw/zinc/14/81/35/1105148135.db2.gz VGBLTHFJXPAQLR-UHFFFAOYSA-N 2 2 319.343 3.221 20 0 DGADLP CC[N@H+](Cc1ccc(-c2ccn(C)n2)cc1)C1CC[NH+](C)CC1 ZINC001248766263 1105157984 /nfs/dbraw/zinc/15/79/84/1105157984.db2.gz KLGBJWFQVYSUOX-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP CC[N@@H+](Cc1ccc(-c2ccn(C)n2)cc1)C1CC[NH+](C)CC1 ZINC001248766263 1105157988 /nfs/dbraw/zinc/15/79/88/1105157988.db2.gz KLGBJWFQVYSUOX-UHFFFAOYSA-N 2 2 312.461 3.003 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)CC1 ZINC001248855937 1105179765 /nfs/dbraw/zinc/17/97/65/1105179765.db2.gz XOPQNCCSYDQQKQ-UHFFFAOYSA-N 2 2 315.392 3.008 20 0 DGADLP CC(C)(C)C[NH2+]Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249188515 1105243047 /nfs/dbraw/zinc/24/30/47/1105243047.db2.gz IOXKMQURWZPVGM-UHFFFAOYSA-N 2 2 311.389 3.058 20 0 DGADLP c1cn(-c2ccccc2-c2noc([C@H]3CCCCC[NH2+]3)n2)c[nH+]1 ZINC001249189338 1105243191 /nfs/dbraw/zinc/24/31/91/1105243191.db2.gz KGXHGLSYOPHDAD-CQSZACIVSA-N 2 2 309.373 3.127 20 0 DGADLP CC(C)(C)C[NH2+]Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001249188578 1105243246 /nfs/dbraw/zinc/24/32/46/1105243246.db2.gz SCMDBYPKGPNXBA-UHFFFAOYSA-N 2 2 311.389 3.058 20 0 DGADLP CCN1CCc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc21 ZINC001249664611 1105348707 /nfs/dbraw/zinc/34/87/07/1105348707.db2.gz JZUOYXQCFUDWEV-UHFFFAOYSA-N 2 2 310.445 3.103 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001250059067 1105434742 /nfs/dbraw/zinc/43/47/42/1105434742.db2.gz HCKOFYVLHUDZAU-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001250059067 1105434746 /nfs/dbraw/zinc/43/47/46/1105434746.db2.gz HCKOFYVLHUDZAU-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001250113654 1105444937 /nfs/dbraw/zinc/44/49/37/1105444937.db2.gz RRDZIVPSTRUCKF-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001250113654 1105444940 /nfs/dbraw/zinc/44/49/40/1105444940.db2.gz RRDZIVPSTRUCKF-INIZCTEOSA-N 2 2 316.376 3.191 20 0 DGADLP C[NH+]1CCN(c2ccc3[nH]c(CC4CCCCC4)[nH+]c3c2)CC1 ZINC001250540731 1105534910 /nfs/dbraw/zinc/53/49/10/1105534910.db2.gz RYJKOVODARQFAI-UHFFFAOYSA-N 2 2 312.461 3.438 20 0 DGADLP CN(C)c1ccc2[nH]c(-c3ccc(OCC[NH+](C)C)cc3)[nH+]c2c1 ZINC001250723684 1105567933 /nfs/dbraw/zinc/56/79/33/1105567933.db2.gz LNTQLCOWKJYNNQ-UHFFFAOYSA-N 2 2 324.428 3.236 20 0 DGADLP CCCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cc(C)cc(F)c2)CC1 ZINC001252119509 1105743644 /nfs/dbraw/zinc/74/36/44/1105743644.db2.gz ZFYVOLVPYXUZMP-IBGZPJMESA-N 2 2 322.468 3.239 20 0 DGADLP CCCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001252117073 1105743757 /nfs/dbraw/zinc/74/37/57/1105743757.db2.gz BQZRCSTUPIGUFI-IBGZPJMESA-N 2 2 322.468 3.239 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253189867 1105900081 /nfs/dbraw/zinc/90/00/81/1105900081.db2.gz MCQCTYMEUJZKCN-SJORKVTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253189867 1105900086 /nfs/dbraw/zinc/90/00/86/1105900086.db2.gz MCQCTYMEUJZKCN-SJORKVTESA-N 2 2 310.869 3.180 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C(C)C)nc1 ZINC001253338452 1105923969 /nfs/dbraw/zinc/92/39/69/1105923969.db2.gz QVLLDFSMQHMHEC-UHFFFAOYSA-N 2 2 321.384 3.346 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1F ZINC001253410963 1105936947 /nfs/dbraw/zinc/93/69/47/1105936947.db2.gz YQKVWUVMPSVNEO-YJBOKZPZSA-N 2 2 322.468 3.396 20 0 DGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCC5(CC5)CC4)C[C@@H]3C2)nc1 ZINC001254442182 1106070707 /nfs/dbraw/zinc/07/07/07/1106070707.db2.gz BZAGNBAWNCSBKF-CALCHBBNSA-N 2 2 311.473 3.168 20 0 DGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCC5(CC5)CC4)C[C@@H]3C2)nc1 ZINC001254442182 1106070714 /nfs/dbraw/zinc/07/07/14/1106070714.db2.gz BZAGNBAWNCSBKF-CALCHBBNSA-N 2 2 311.473 3.168 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCC5(CC5)CC4)C[C@@H]3C2)nc1 ZINC001254442182 1106070719 /nfs/dbraw/zinc/07/07/19/1106070719.db2.gz BZAGNBAWNCSBKF-CALCHBBNSA-N 2 2 311.473 3.168 20 0 DGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCC5(CC5)CC4)C[C@@H]3C2)nc1 ZINC001254442182 1106070723 /nfs/dbraw/zinc/07/07/23/1106070723.db2.gz BZAGNBAWNCSBKF-CALCHBBNSA-N 2 2 311.473 3.168 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001254501957 1106083296 /nfs/dbraw/zinc/08/32/96/1106083296.db2.gz AKYLNUJTTNAWGR-NSHDSACASA-N 2 2 304.331 3.418 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001254501957 1106083300 /nfs/dbraw/zinc/08/33/00/1106083300.db2.gz AKYLNUJTTNAWGR-NSHDSACASA-N 2 2 304.331 3.418 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254532847 1106097271 /nfs/dbraw/zinc/09/72/71/1106097271.db2.gz YDOCGTORHYTRMQ-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H]1CCC[NH+](C)CC1 ZINC001254532847 1106097276 /nfs/dbraw/zinc/09/72/76/1106097276.db2.gz YDOCGTORHYTRMQ-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[NH+]1[C@@H]1CCC[N@H+](C)CC1 ZINC001254532847 1106097281 /nfs/dbraw/zinc/09/72/81/1106097281.db2.gz YDOCGTORHYTRMQ-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP CC[C@H]1CN(Cc2ccccc2)CC[NH+]1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532847 1106097285 /nfs/dbraw/zinc/09/72/85/1106097285.db2.gz YDOCGTORHYTRMQ-VQTJNVASSA-N 2 2 315.505 3.067 20 0 DGADLP C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001254761336 1106139097 /nfs/dbraw/zinc/13/90/97/1106139097.db2.gz MMJRJGZGZYIMJV-INIZCTEOSA-N 2 2 324.472 3.079 20 0 DGADLP c1ccc(-c2cccnc2)c(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254849563 1106148663 /nfs/dbraw/zinc/14/86/63/1106148663.db2.gz VZOPYKKUYRLNHX-LJQANCHMSA-N 2 2 307.441 3.323 20 0 DGADLP CCC[N@H+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255125592 1106185303 /nfs/dbraw/zinc/18/53/03/1106185303.db2.gz YNAXPQFLEMAHHK-ACDBMABISA-N 3 2 315.505 3.243 20 0 DGADLP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255125592 1106185306 /nfs/dbraw/zinc/18/53/06/1106185306.db2.gz YNAXPQFLEMAHHK-ACDBMABISA-N 3 2 315.505 3.243 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255125592 1106185310 /nfs/dbraw/zinc/18/53/10/1106185310.db2.gz YNAXPQFLEMAHHK-ACDBMABISA-N 3 2 315.505 3.243 20 0 DGADLP CCC[NH+](CCC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255125592 1106185312 /nfs/dbraw/zinc/18/53/12/1106185312.db2.gz YNAXPQFLEMAHHK-ACDBMABISA-N 3 2 315.505 3.243 20 0 DGADLP CC(C)[N@H+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255124891 1106185465 /nfs/dbraw/zinc/18/54/65/1106185465.db2.gz PJFGZCARKTUSES-PMOLBWCYSA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)[N@@H+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255124891 1106185466 /nfs/dbraw/zinc/18/54/66/1106185466.db2.gz PJFGZCARKTUSES-PMOLBWCYSA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255124891 1106185468 /nfs/dbraw/zinc/18/54/68/1106185468.db2.gz PJFGZCARKTUSES-PMOLBWCYSA-N 3 2 315.505 3.241 20 0 DGADLP CC(C)[NH+](CCC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255124891 1106185470 /nfs/dbraw/zinc/18/54/70/1106185470.db2.gz PJFGZCARKTUSES-PMOLBWCYSA-N 3 2 315.505 3.241 20 0 DGADLP CC(=O)[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149801 1106190763 /nfs/dbraw/zinc/19/07/63/1106190763.db2.gz JPDSGIXASASFGS-VNTMZGSJSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149801 1106190766 /nfs/dbraw/zinc/19/07/66/1106190766.db2.gz JPDSGIXASASFGS-VNTMZGSJSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149801 1106190768 /nfs/dbraw/zinc/19/07/68/1106190768.db2.gz JPDSGIXASASFGS-VNTMZGSJSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149801 1106190772 /nfs/dbraw/zinc/19/07/72/1106190772.db2.gz JPDSGIXASASFGS-VNTMZGSJSA-N 2 2 312.457 3.093 20 0 DGADLP CC[C@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147131 1106191470 /nfs/dbraw/zinc/19/14/70/1106191470.db2.gz MMNDEOXCDHFMHC-HAGHYFMRSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255147131 1106191473 /nfs/dbraw/zinc/19/14/73/1106191473.db2.gz MMNDEOXCDHFMHC-HAGHYFMRSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255147131 1106191476 /nfs/dbraw/zinc/19/14/76/1106191476.db2.gz MMNDEOXCDHFMHC-HAGHYFMRSA-N 2 2 314.473 3.293 20 0 DGADLP CC[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255147131 1106191478 /nfs/dbraw/zinc/19/14/78/1106191478.db2.gz MMNDEOXCDHFMHC-HAGHYFMRSA-N 2 2 314.473 3.293 20 0 DGADLP C1=C2CCC[N@@H+]([C@@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001255294963 1106217364 /nfs/dbraw/zinc/21/73/64/1106217364.db2.gz QGLXGZHDIDQYGQ-UURKPOQGSA-N 2 2 318.530 3.387 20 0 DGADLP C1=C2CCC[N@H+]([C@@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001255294963 1106217368 /nfs/dbraw/zinc/21/73/68/1106217368.db2.gz QGLXGZHDIDQYGQ-UURKPOQGSA-N 2 2 318.530 3.387 20 0 DGADLP C1=C2CCC[NH+]([C@@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001255294963 1106217370 /nfs/dbraw/zinc/21/73/70/1106217370.db2.gz QGLXGZHDIDQYGQ-UURKPOQGSA-N 2 2 318.530 3.387 20 0 DGADLP C1=C2CCC[NH+]([C@@H]3CCSC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001255294963 1106217372 /nfs/dbraw/zinc/21/73/72/1106217372.db2.gz QGLXGZHDIDQYGQ-UURKPOQGSA-N 2 2 318.530 3.387 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C3CCC(C)(C)CC3)CC2)c1 ZINC001255308750 1106220131 /nfs/dbraw/zinc/22/01/31/1106220131.db2.gz AQNFCGOMWXFJFW-UHFFFAOYSA-N 2 2 303.450 3.181 20 0 DGADLP CCCC[C@@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001255327170 1106223116 /nfs/dbraw/zinc/22/31/16/1106223116.db2.gz WHRDUAJYZCXPTG-SJORKVTESA-N 2 2 317.477 3.378 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255382046 1106236980 /nfs/dbraw/zinc/23/69/80/1106236980.db2.gz BAFIRMOSEPAMDL-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382046 1106236985 /nfs/dbraw/zinc/23/69/85/1106236985.db2.gz BAFIRMOSEPAMDL-LJQANCHMSA-N 3 2 315.505 3.115 20 0 DGADLP Fc1ncccc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255386453 1106238203 /nfs/dbraw/zinc/23/82/03/1106238203.db2.gz MWOKCSRUHMNTIR-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ncccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386453 1106238207 /nfs/dbraw/zinc/23/82/07/1106238207.db2.gz MWOKCSRUHMNTIR-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393018 1106239137 /nfs/dbraw/zinc/23/91/37/1106239137.db2.gz KIKGFODNBXQTAC-QZTJIDSGSA-N 2 2 300.446 3.142 20 0 DGADLP O=C1CCCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393018 1106239140 /nfs/dbraw/zinc/23/91/40/1106239140.db2.gz KIKGFODNBXQTAC-QZTJIDSGSA-N 2 2 300.446 3.142 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3(c4cnccn4)CC3)CC2)cc1 ZINC001255392223 1106239332 /nfs/dbraw/zinc/23/93/32/1106239332.db2.gz HHFDVDNPFJSEPJ-GOSISDBHSA-N 2 2 322.456 3.110 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3(c4cnccn4)CC3)CC2)cc1 ZINC001255392223 1106239334 /nfs/dbraw/zinc/23/93/34/1106239334.db2.gz HHFDVDNPFJSEPJ-GOSISDBHSA-N 2 2 322.456 3.110 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394339 1106241802 /nfs/dbraw/zinc/24/18/02/1106241802.db2.gz VPFWBXRCMXMHJR-WMZOPIPTSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cnccn1 ZINC001255394339 1106241804 /nfs/dbraw/zinc/24/18/04/1106241804.db2.gz VPFWBXRCMXMHJR-WMZOPIPTSA-N 2 2 310.445 3.182 20 0 DGADLP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397825 1106243346 /nfs/dbraw/zinc/24/33/46/1106243346.db2.gz HOUCLBGYXITDJU-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255397825 1106243351 /nfs/dbraw/zinc/24/33/51/1106243351.db2.gz HOUCLBGYXITDJU-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397825 1106243357 /nfs/dbraw/zinc/24/33/57/1106243357.db2.gz HOUCLBGYXITDJU-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255397825 1106243362 /nfs/dbraw/zinc/24/33/62/1106243362.db2.gz HOUCLBGYXITDJU-IEBWSBKVSA-N 2 2 314.473 3.342 20 0 DGADLP C[NH+](C)C1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255399577 1106244491 /nfs/dbraw/zinc/24/44/91/1106244491.db2.gz VKFUGSBIECZDFU-FQEVSTJZSA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](C)C1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399577 1106244495 /nfs/dbraw/zinc/24/44/95/1106244495.db2.gz VKFUGSBIECZDFU-FQEVSTJZSA-N 3 2 315.505 3.067 20 0 DGADLP CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408732 1106246604 /nfs/dbraw/zinc/24/66/04/1106246604.db2.gz PTRDGZZSKMLSJU-UXHICEINSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255408732 1106246605 /nfs/dbraw/zinc/24/66/05/1106246605.db2.gz PTRDGZZSKMLSJU-UXHICEINSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255408732 1106246607 /nfs/dbraw/zinc/24/66/07/1106246607.db2.gz PTRDGZZSKMLSJU-UXHICEINSA-N 2 2 314.473 3.485 20 0 DGADLP CC(=O)[C@@H]1CCCC[NH+]1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255408732 1106246609 /nfs/dbraw/zinc/24/66/09/1106246609.db2.gz PTRDGZZSKMLSJU-UXHICEINSA-N 2 2 314.473 3.485 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650745 1106285382 /nfs/dbraw/zinc/28/53/82/1106285382.db2.gz HCHCGYQONQJUKW-LSDHHAIUSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650745 1106285386 /nfs/dbraw/zinc/28/53/86/1106285386.db2.gz HCHCGYQONQJUKW-LSDHHAIUSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650745 1106285388 /nfs/dbraw/zinc/28/53/88/1106285388.db2.gz HCHCGYQONQJUKW-LSDHHAIUSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)CC(F)(F)F)C2)C1 ZINC001255650745 1106285389 /nfs/dbraw/zinc/28/53/89/1106285389.db2.gz HCHCGYQONQJUKW-LSDHHAIUSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650744 1106285632 /nfs/dbraw/zinc/28/56/32/1106285632.db2.gz HCHCGYQONQJUKW-HUUCEWRRSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650744 1106285637 /nfs/dbraw/zinc/28/56/37/1106285637.db2.gz HCHCGYQONQJUKW-HUUCEWRRSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650744 1106285640 /nfs/dbraw/zinc/28/56/40/1106285640.db2.gz HCHCGYQONQJUKW-HUUCEWRRSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650744 1106285647 /nfs/dbraw/zinc/28/56/47/1106285647.db2.gz HCHCGYQONQJUKW-HUUCEWRRSA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650742 1106285865 /nfs/dbraw/zinc/28/58/65/1106285865.db2.gz HCHCGYQONQJUKW-CABCVRRESA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650742 1106285868 /nfs/dbraw/zinc/28/58/68/1106285868.db2.gz HCHCGYQONQJUKW-CABCVRRESA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650742 1106285873 /nfs/dbraw/zinc/28/58/73/1106285873.db2.gz HCHCGYQONQJUKW-CABCVRRESA-N 2 2 322.415 3.150 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)CC(F)(F)F)C2)C1 ZINC001255650742 1106285875 /nfs/dbraw/zinc/28/58/75/1106285875.db2.gz HCHCGYQONQJUKW-CABCVRRESA-N 2 2 322.415 3.150 20 0 DGADLP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255671743 1106290999 /nfs/dbraw/zinc/29/09/99/1106290999.db2.gz PEIUDAQJUYJPIB-DAABDDCCSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255671743 1106291002 /nfs/dbraw/zinc/29/10/02/1106291002.db2.gz PEIUDAQJUYJPIB-DAABDDCCSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255671743 1106291004 /nfs/dbraw/zinc/29/10/04/1106291004.db2.gz PEIUDAQJUYJPIB-DAABDDCCSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671743 1106291005 /nfs/dbraw/zinc/29/10/05/1106291005.db2.gz PEIUDAQJUYJPIB-DAABDDCCSA-N 3 2 315.505 3.099 20 0 DGADLP Cc1[nH+]c2c(n1[C@H]1CCC[C@@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC001255705886 1106299112 /nfs/dbraw/zinc/29/91/12/1106299112.db2.gz MNLXMYWVJALRAR-NEPJUHHUSA-N 2 2 301.356 3.173 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC001255956193 1106349723 /nfs/dbraw/zinc/34/97/23/1106349723.db2.gz IBTQMKPZXUDRAS-GOSISDBHSA-N 2 2 303.494 3.237 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC001255956195 1106350135 /nfs/dbraw/zinc/35/01/35/1106350135.db2.gz IBTQMKPZXUDRAS-SFHVURJKSA-N 2 2 303.494 3.237 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001255960011 1106350291 /nfs/dbraw/zinc/35/02/91/1106350291.db2.gz CJACYLKZPWKQFH-RTBURBONSA-N 3 2 309.542 3.447 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001255960011 1106350294 /nfs/dbraw/zinc/35/02/94/1106350294.db2.gz CJACYLKZPWKQFH-RTBURBONSA-N 3 2 309.542 3.447 20 0 DGADLP CCCc1noc(C2CC[NH+]([C@@H](C)CC[NH+](CC)CC)CC2)n1 ZINC001255967657 1106351624 /nfs/dbraw/zinc/35/16/24/1106351624.db2.gz RPVBTPWVQWIWGH-HNNXBMFYSA-N 2 2 322.497 3.322 20 0 DGADLP COc1cccc(C[C@@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001256171405 1106383530 /nfs/dbraw/zinc/38/35/30/1106383530.db2.gz UPIIVCIDYAYVAL-MRXNPFEDSA-N 2 2 304.478 3.431 20 0 DGADLP COc1cccc(C[C@@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001256171405 1106383532 /nfs/dbraw/zinc/38/35/32/1106383532.db2.gz UPIIVCIDYAYVAL-MRXNPFEDSA-N 2 2 304.478 3.431 20 0 DGADLP C[NH+]1CCC([NH2+]C(C)(C)c2ccccc2Br)CC1 ZINC001256197207 1106388900 /nfs/dbraw/zinc/38/89/00/1106388900.db2.gz BVLJJZLIDZRSSD-UHFFFAOYSA-N 2 2 311.267 3.368 20 0 DGADLP C[NH+]1CCC([N@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256199749 1106389948 /nfs/dbraw/zinc/38/99/48/1106389948.db2.gz XCIWXQXSHPQIIC-IYARVYRRSA-N 3 2 307.526 3.233 20 0 DGADLP C[NH+]1CCC([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256199749 1106389952 /nfs/dbraw/zinc/38/99/52/1106389952.db2.gz XCIWXQXSHPQIIC-IYARVYRRSA-N 3 2 307.526 3.233 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256537418 1106436910 /nfs/dbraw/zinc/43/69/10/1106436910.db2.gz NXYNOUFHXDBWFE-AEFFLSMTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CN(C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256537418 1106436912 /nfs/dbraw/zinc/43/69/12/1106436912.db2.gz NXYNOUFHXDBWFE-AEFFLSMTSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCCC23COC3)CC[N@@H+]1Cc1ccccc1 ZINC001256549936 1106440482 /nfs/dbraw/zinc/44/04/82/1106440482.db2.gz KAQSOWVMNOBKDR-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCCC23COC3)CC[N@H+]1Cc1ccccc1 ZINC001256549936 1106440484 /nfs/dbraw/zinc/44/04/84/1106440484.db2.gz KAQSOWVMNOBKDR-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549936 1106440486 /nfs/dbraw/zinc/44/04/86/1106440486.db2.gz KAQSOWVMNOBKDR-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001256549936 1106440487 /nfs/dbraw/zinc/44/04/87/1106440487.db2.gz KAQSOWVMNOBKDR-MJGOQNOKSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552287 1106441442 /nfs/dbraw/zinc/44/14/42/1106441442.db2.gz BDKPCHZNFAAGAU-GTAWCEEGSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256552287 1106441443 /nfs/dbraw/zinc/44/14/43/1106441443.db2.gz BDKPCHZNFAAGAU-GTAWCEEGSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552287 1106441446 /nfs/dbraw/zinc/44/14/46/1106441446.db2.gz BDKPCHZNFAAGAU-GTAWCEEGSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552287 1106441450 /nfs/dbraw/zinc/44/14/50/1106441450.db2.gz BDKPCHZNFAAGAU-GTAWCEEGSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3OCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553750 1106442178 /nfs/dbraw/zinc/44/21/78/1106442178.db2.gz JUFRFHMXGCINPB-GSEOLPGOSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H]3OCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256553750 1106442180 /nfs/dbraw/zinc/44/21/80/1106442180.db2.gz JUFRFHMXGCINPB-GSEOLPGOSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553750 1106442184 /nfs/dbraw/zinc/44/21/84/1106442184.db2.gz JUFRFHMXGCINPB-GSEOLPGOSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256553750 1106442186 /nfs/dbraw/zinc/44/21/86/1106442186.db2.gz JUFRFHMXGCINPB-GSEOLPGOSA-N 2 2 314.473 3.150 20 0 DGADLP COc1c(F)cc(F)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256554704 1106442457 /nfs/dbraw/zinc/44/24/57/1106442457.db2.gz MJHGKUHLFSEXCY-UHFFFAOYSA-N 2 2 312.404 3.326 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001256561993 1106445833 /nfs/dbraw/zinc/44/58/33/1106445833.db2.gz SWLCMUSOAXTJJL-UHFFFAOYSA-N 2 2 315.383 3.453 20 0 DGADLP COc1cccc2c1CC[N@@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256576560 1106449340 /nfs/dbraw/zinc/44/93/40/1106449340.db2.gz MBJGPJCRNBMJJN-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP COc1cccc2c1CC[N@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256576560 1106449343 /nfs/dbraw/zinc/44/93/43/1106449343.db2.gz MBJGPJCRNBMJJN-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001256629137 1106456598 /nfs/dbraw/zinc/45/65/98/1106456598.db2.gz YWWGFXNDTOCQBS-JIRNRHONSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001256629137 1106456600 /nfs/dbraw/zinc/45/66/00/1106456600.db2.gz YWWGFXNDTOCQBS-JIRNRHONSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001256629137 1106456601 /nfs/dbraw/zinc/45/66/01/1106456601.db2.gz YWWGFXNDTOCQBS-JIRNRHONSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001256629137 1106456603 /nfs/dbraw/zinc/45/66/03/1106456603.db2.gz YWWGFXNDTOCQBS-JIRNRHONSA-N 2 2 314.473 3.168 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001257218662 1106553365 /nfs/dbraw/zinc/55/33/65/1106553365.db2.gz VRFOJOBMOIVGSL-LJQANCHMSA-N 2 2 302.462 3.150 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001257218662 1106553369 /nfs/dbraw/zinc/55/33/69/1106553369.db2.gz VRFOJOBMOIVGSL-LJQANCHMSA-N 2 2 302.462 3.150 20 0 DGADLP CCC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]3COC[C@H]3[NH3+])CC2)CC1 ZINC001257243021 1106556095 /nfs/dbraw/zinc/55/60/95/1106556095.db2.gz UUWMOARSQLNBBZ-MHEUWTTISA-N 2 2 308.510 3.467 20 0 DGADLP CCCC(CCC)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257336764 1106569749 /nfs/dbraw/zinc/56/97/49/1106569749.db2.gz GVOQGTUSDLWGDN-IRXDYDNUSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC(CCC)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257340223 1106570978 /nfs/dbraw/zinc/57/09/78/1106570978.db2.gz SFGNMEDLQLXPGI-UHFFFAOYSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC(CCC)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001257340223 1106570981 /nfs/dbraw/zinc/57/09/81/1106570981.db2.gz SFGNMEDLQLXPGI-UHFFFAOYSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC(CCC)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001257340223 1106570983 /nfs/dbraw/zinc/57/09/83/1106570983.db2.gz SFGNMEDLQLXPGI-UHFFFAOYSA-N 2 2 321.513 3.293 20 0 DGADLP CCCC(CCC)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001257340223 1106570986 /nfs/dbraw/zinc/57/09/86/1106570986.db2.gz SFGNMEDLQLXPGI-UHFFFAOYSA-N 2 2 321.513 3.293 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257513887 1106601123 /nfs/dbraw/zinc/60/11/23/1106601123.db2.gz XXFUVCUHQBBZRQ-WDSOQIARSA-N 2 2 301.478 3.414 20 0 DGADLP COC(=O)C1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001257870104 1106637307 /nfs/dbraw/zinc/63/73/07/1106637307.db2.gz ZKYDZJFOLDUVNT-UHFFFAOYSA-N 2 2 322.493 3.057 20 0 DGADLP COC(=O)C1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001257870104 1106637309 /nfs/dbraw/zinc/63/73/09/1106637309.db2.gz ZKYDZJFOLDUVNT-UHFFFAOYSA-N 2 2 322.493 3.057 20 0 DGADLP COc1cccnc1[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC001258007771 1106657446 /nfs/dbraw/zinc/65/74/46/1106657446.db2.gz RVCWCDTVFJYEOK-SFHVURJKSA-N 2 2 317.477 3.251 20 0 DGADLP COc1cc2c(cc1OC)C[NH+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258020778 1106660149 /nfs/dbraw/zinc/66/01/49/1106660149.db2.gz ZWWAJXDZSQOPJI-UHFFFAOYSA-N 2 2 318.461 3.140 20 0 DGADLP CCOC(=O)CCC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258115100 1106676214 /nfs/dbraw/zinc/67/62/14/1106676214.db2.gz DSXOEACDCYTITH-CQSZACIVSA-N 2 2 315.417 3.303 20 0 DGADLP c1ccc(CC[NH+]2CCC([NH2+]C3(c4ccccn4)CC3)CC2)cc1 ZINC001258134991 1106680252 /nfs/dbraw/zinc/68/02/52/1106680252.db2.gz CULZOVYUELMZAC-UHFFFAOYSA-N 2 2 321.468 3.367 20 0 DGADLP CSCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258207073 1106696670 /nfs/dbraw/zinc/69/66/70/1106696670.db2.gz RYXOWVNHYMSWQS-AWEZNQCLSA-N 2 2 308.491 3.088 20 0 DGADLP CSCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001258209453 1106697246 /nfs/dbraw/zinc/69/72/46/1106697246.db2.gz VXJLURUFIIDRBU-WMZOPIPTSA-N 2 2 306.519 3.425 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC001258394555 1106729332 /nfs/dbraw/zinc/72/93/32/1106729332.db2.gz NSGZTDDFRAHPLX-WMZOPIPTSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC001258394555 1106729336 /nfs/dbraw/zinc/72/93/36/1106729336.db2.gz NSGZTDDFRAHPLX-WMZOPIPTSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC001258448412 1106752245 /nfs/dbraw/zinc/75/22/45/1106752245.db2.gz KTUHPEPHZSZRLN-HNNXBMFYSA-N 2 2 302.462 3.438 20 0 DGADLP C[C@H](CC1CC1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464200 1106761978 /nfs/dbraw/zinc/76/19/78/1106761978.db2.gz HGXMUQKQFWUWFY-FVQBIDKESA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258464200 1106761992 /nfs/dbraw/zinc/76/19/92/1106761992.db2.gz HGXMUQKQFWUWFY-FVQBIDKESA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258464200 1106762005 /nfs/dbraw/zinc/76/20/05/1106762005.db2.gz HGXMUQKQFWUWFY-FVQBIDKESA-N 2 2 305.491 3.228 20 0 DGADLP C[C@H](CC1CC1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258464200 1106762018 /nfs/dbraw/zinc/76/20/18/1106762018.db2.gz HGXMUQKQFWUWFY-FVQBIDKESA-N 2 2 305.491 3.228 20 0 DGADLP CC[C@H](C)C[C@H](CC)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790131 1106976894 /nfs/dbraw/zinc/97/68/94/1106976894.db2.gz IQWBIPYYCLUIFU-GJZGRUSLSA-N 2 2 316.449 3.492 20 0 DGADLP CC[C@H](C)C[C@H](CC)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001258790131 1106976905 /nfs/dbraw/zinc/97/69/05/1106976905.db2.gz IQWBIPYYCLUIFU-GJZGRUSLSA-N 2 2 316.449 3.492 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1 ZINC001258806418 1106991481 /nfs/dbraw/zinc/99/14/81/1106991481.db2.gz YMHOUYASTRSMTA-UHFFFAOYSA-N 2 2 317.477 3.427 20 0 DGADLP C[C@H]1CCC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824164 1107007605 /nfs/dbraw/zinc/00/76/05/1107007605.db2.gz PRTBKHWFYGORKQ-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824164 1107007625 /nfs/dbraw/zinc/00/76/25/1107007625.db2.gz PRTBKHWFYGORKQ-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H]1CCC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824164 1107007640 /nfs/dbraw/zinc/00/76/40/1107007640.db2.gz PRTBKHWFYGORKQ-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@H]1CCC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824164 1107007656 /nfs/dbraw/zinc/00/76/56/1107007656.db2.gz PRTBKHWFYGORKQ-RNQOJCNYSA-N 2 2 313.489 3.414 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001320535727 1107046522 /nfs/dbraw/zinc/04/65/22/1107046522.db2.gz MMYWZKIQEVLEKA-UONOGXRCSA-N 2 2 307.869 3.122 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001320535727 1107046537 /nfs/dbraw/zinc/04/65/37/1107046537.db2.gz MMYWZKIQEVLEKA-UONOGXRCSA-N 2 2 307.869 3.122 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCC(F)(F)C1 ZINC001321239748 1107298453 /nfs/dbraw/zinc/29/84/53/1107298453.db2.gz NHGATYAZOPTHFY-LBPRGKRZSA-N 2 2 320.343 3.340 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001317398695 1107316430 /nfs/dbraw/zinc/31/64/30/1107316430.db2.gz BEPGWAVOYAOYKH-AWEZNQCLSA-N 2 2 317.477 3.295 20 0 DGADLP CC[C@]1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CC[NH2+]C1 ZINC001261456679 1107440111 /nfs/dbraw/zinc/44/01/11/1107440111.db2.gz HWCVYEGHPMYPQK-SFHVURJKSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2cc[nH]c21 ZINC001322094846 1107507897 /nfs/dbraw/zinc/50/78/97/1107507897.db2.gz AFRFUGINIBJQNC-UHFFFAOYSA-N 2 2 317.352 3.309 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001261829657 1107537782 /nfs/dbraw/zinc/53/77/82/1107537782.db2.gz XMFGKMRAEDKXJK-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001261829657 1107537790 /nfs/dbraw/zinc/53/77/90/1107537790.db2.gz XMFGKMRAEDKXJK-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP S=c1ccn(C[N@@H+]2CCC[NH+]3CCC[C@H]3C2)c2ccccc12 ZINC001318433323 1108000854 /nfs/dbraw/zinc/00/08/54/1108000854.db2.gz JTWSMEVDVKOYGM-HNNXBMFYSA-N 2 2 313.470 3.498 20 0 DGADLP S=c1ccn(C[N@H+]2CCC[NH+]3CCC[C@H]3C2)c2ccccc12 ZINC001318433323 1108000868 /nfs/dbraw/zinc/00/08/68/1108000868.db2.gz JTWSMEVDVKOYGM-HNNXBMFYSA-N 2 2 313.470 3.498 20 0 DGADLP S=c1ccn(C[NH+]2CCC[N@@H+]3CCC[C@H]3C2)c2ccccc12 ZINC001318433323 1108000882 /nfs/dbraw/zinc/00/08/82/1108000882.db2.gz JTWSMEVDVKOYGM-HNNXBMFYSA-N 2 2 313.470 3.498 20 0 DGADLP S=c1ccn(C[NH+]2CCC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC001318433323 1108000898 /nfs/dbraw/zinc/00/08/98/1108000898.db2.gz JTWSMEVDVKOYGM-HNNXBMFYSA-N 2 2 313.470 3.498 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ncccc2C)CC1 ZINC001323660143 1108045079 /nfs/dbraw/zinc/04/50/79/1108045079.db2.gz QCOPHODUWIDTLL-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP CCC(CC)C[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318543478 1108087439 /nfs/dbraw/zinc/08/74/39/1108087439.db2.gz XPEANHVAUDKOIR-OAHLLOKOSA-N 2 2 316.449 3.097 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001323831159 1108098662 /nfs/dbraw/zinc/09/86/62/1108098662.db2.gz VGYZRAPBMPRJGT-DEYYWGMASA-N 2 2 320.864 3.170 20 0 DGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001323831159 1108098673 /nfs/dbraw/zinc/09/86/73/1108098673.db2.gz VGYZRAPBMPRJGT-DEYYWGMASA-N 2 2 320.864 3.170 20 0 DGADLP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001323881786 1108112485 /nfs/dbraw/zinc/11/24/85/1108112485.db2.gz ZHGJXZQLHOUUHG-OALUTQOASA-N 2 2 319.468 3.037 20 0 DGADLP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001323881786 1108112489 /nfs/dbraw/zinc/11/24/89/1108112489.db2.gz ZHGJXZQLHOUUHG-OALUTQOASA-N 2 2 319.468 3.037 20 0 DGADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001323958109 1108129139 /nfs/dbraw/zinc/12/91/39/1108129139.db2.gz AZJWWXNQOPNZTR-GOSISDBHSA-N 2 2 311.429 3.142 20 0 DGADLP Cc1ccc([C@@H](C)C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)o1 ZINC001318731926 1108172620 /nfs/dbraw/zinc/17/26/20/1108172620.db2.gz OBABYOIOPZXZDJ-GFCCVEGCSA-N 2 2 310.357 3.219 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001318764207 1108188869 /nfs/dbraw/zinc/18/88/69/1108188869.db2.gz TVONTDAINXJYHE-LBPRGKRZSA-N 2 2 324.359 3.457 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000387034404 1108453632 /nfs/dbraw/zinc/45/36/32/1108453632.db2.gz KQTGNAVWNODAQS-GFCCVEGCSA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000387034404 1108453654 /nfs/dbraw/zinc/45/36/54/1108453654.db2.gz KQTGNAVWNODAQS-GFCCVEGCSA-N 2 2 304.331 3.405 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@@H+]1C ZINC001319948245 1108708417 /nfs/dbraw/zinc/70/84/17/1108708417.db2.gz LJYWXMWWFBDHEA-AEFFLSMTSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCC2)CC[N@H+]1C ZINC001319948245 1108708428 /nfs/dbraw/zinc/70/84/28/1108708428.db2.gz LJYWXMWWFBDHEA-AEFFLSMTSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948245 1108708437 /nfs/dbraw/zinc/70/84/37/1108708437.db2.gz LJYWXMWWFBDHEA-AEFFLSMTSA-N 2 2 301.478 3.201 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCCC2)CC[NH+]1C ZINC001319948245 1108708448 /nfs/dbraw/zinc/70/84/48/1108708448.db2.gz LJYWXMWWFBDHEA-AEFFLSMTSA-N 2 2 301.478 3.201 20 0 DGADLP Clc1cncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000702677366 1109087654 /nfs/dbraw/zinc/08/76/54/1109087654.db2.gz KEIUDTRYZNVPHC-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@@H+](C)CC[C@H](C)F)c(C)[nH+]1 ZINC001280835588 1109261850 /nfs/dbraw/zinc/26/18/50/1109261850.db2.gz KXWYOZMKDMRCPA-AWEZNQCLSA-N 2 2 323.456 3.149 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@H+](C)CC[C@H](C)F)c(C)[nH+]1 ZINC001280835588 1109261853 /nfs/dbraw/zinc/26/18/53/1109261853.db2.gz KXWYOZMKDMRCPA-AWEZNQCLSA-N 2 2 323.456 3.149 20 0 DGADLP CCc1cc(N(CC[NH+](CC)CC)CC(C)C)nc(CC)[nH+]1 ZINC001307075785 1111262418 /nfs/dbraw/zinc/26/24/18/1111262418.db2.gz RXYWESRVTTZZQM-UHFFFAOYSA-N 2 2 306.498 3.406 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC001307501791 1111307870 /nfs/dbraw/zinc/30/78/70/1111307870.db2.gz YYXWCWCUVFOVGY-LJQANCHMSA-N 2 2 312.461 3.295 20 0 DGADLP C[Si](C)(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001307546258 1111313014 /nfs/dbraw/zinc/31/30/14/1111313014.db2.gz HTARTNDUDQIZTI-INIZCTEOSA-N 2 2 313.521 3.335 20 0 DGADLP C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001307546258 1111313016 /nfs/dbraw/zinc/31/30/16/1111313016.db2.gz HTARTNDUDQIZTI-INIZCTEOSA-N 2 2 313.521 3.335 20 0 DGADLP Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307678092 1111326057 /nfs/dbraw/zinc/32/60/57/1111326057.db2.gz FFSWDFVOPSLIMD-LJQANCHMSA-N 2 2 307.397 3.004 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822143 1111343207 /nfs/dbraw/zinc/34/32/07/1111343207.db2.gz BCLWNIVCGWPBKI-ZWKOTPCHSA-N 2 2 310.526 3.416 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822143 1111343209 /nfs/dbraw/zinc/34/32/09/1111343209.db2.gz BCLWNIVCGWPBKI-ZWKOTPCHSA-N 2 2 310.526 3.416 20 0 DGADLP C[C@H]1c2ccccc2C[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307964416 1111360641 /nfs/dbraw/zinc/36/06/41/1111360641.db2.gz FWQMELJJYNQSAG-LAUBAEHRSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@H]1c2ccccc2C[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307964416 1111360646 /nfs/dbraw/zinc/36/06/46/1111360646.db2.gz FWQMELJJYNQSAG-LAUBAEHRSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@H]1c2ccccc2C[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307964416 1111360650 /nfs/dbraw/zinc/36/06/50/1111360650.db2.gz FWQMELJJYNQSAG-LAUBAEHRSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@H]1c2ccccc2C[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307964416 1111360654 /nfs/dbraw/zinc/36/06/54/1111360654.db2.gz FWQMELJJYNQSAG-LAUBAEHRSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001308089779 1111376573 /nfs/dbraw/zinc/37/65/73/1111376573.db2.gz OCRQURXQIHDQFI-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001308089779 1111376576 /nfs/dbraw/zinc/37/65/76/1111376576.db2.gz OCRQURXQIHDQFI-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC001308189409 1111393730 /nfs/dbraw/zinc/39/37/30/1111393730.db2.gz VOALUZJMIQZMSF-GJZGRUSLSA-N 2 2 310.869 3.237 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3cccc4n[nH]cc43)c2)c[nH+]1 ZINC001308194450 1111394658 /nfs/dbraw/zinc/39/46/58/1111394658.db2.gz GKEMCGMEXADHQS-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)[nH]1)C[NH+]1CCCCC1 ZINC001308216739 1111399249 /nfs/dbraw/zinc/39/92/49/1111399249.db2.gz ZTCWIEGVVTVKHP-INIZCTEOSA-N 2 2 312.461 3.288 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001308219834 1111399778 /nfs/dbraw/zinc/39/97/78/1111399778.db2.gz RLERVQDUXMIVSC-MJGOQNOKSA-N 2 2 312.461 3.088 20 0 DGADLP Cc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1Br ZINC001308246665 1111403722 /nfs/dbraw/zinc/40/37/22/1111403722.db2.gz IQJUJXSIAFGESW-LBPRGKRZSA-N 2 2 322.250 3.380 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@H]2C1 ZINC001308552374 1111442124 /nfs/dbraw/zinc/44/21/24/1111442124.db2.gz BUBAMOZCEKYXNN-HRCADAONSA-N 2 2 313.470 3.240 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ncc(-c4ccccc4)s3)[C@H]2C1 ZINC001308552374 1111442127 /nfs/dbraw/zinc/44/21/27/1111442127.db2.gz BUBAMOZCEKYXNN-HRCADAONSA-N 2 2 313.470 3.240 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1COc2ccccc2C1 ZINC001308741118 1111468444 /nfs/dbraw/zinc/46/84/44/1111468444.db2.gz GLKBAMPHBHFHFL-KVSKMBFKSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@H]1COc2ccccc2C1 ZINC001308741118 1111468447 /nfs/dbraw/zinc/46/84/47/1111468447.db2.gz GLKBAMPHBHFHFL-KVSKMBFKSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001308904718 1111491324 /nfs/dbraw/zinc/49/13/24/1111491324.db2.gz RCRAQKJFUZWZIR-YSIASYRMSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001308904718 1111491327 /nfs/dbraw/zinc/49/13/27/1111491327.db2.gz RCRAQKJFUZWZIR-YSIASYRMSA-N 2 2 316.489 3.446 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+][C@H](C)COC(C)=O)c1ccccc1 ZINC001308982709 1111504776 /nfs/dbraw/zinc/50/47/76/1111504776.db2.gz WCAZERAVMHRDEJ-QAPCUYQASA-N 2 2 306.450 3.001 20 0 DGADLP CC[C@H](C)C[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316840473 1111782473 /nfs/dbraw/zinc/78/24/73/1111782473.db2.gz QYNZCZFYHAZTKB-ZDUSSCGKSA-N 2 2 305.466 3.105 20 0 DGADLP CC[C@H](C)C[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316840473 1111782479 /nfs/dbraw/zinc/78/24/79/1111782479.db2.gz QYNZCZFYHAZTKB-ZDUSSCGKSA-N 2 2 305.466 3.105 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001621553012 1193857958 /nfs/dbraw/zinc/85/79/58/1193857958.db2.gz ZRINEJWTLMIZDJ-CVEARBPZSA-N 2 2 312.498 3.208 20 0 DGADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001621553012 1193857963 /nfs/dbraw/zinc/85/79/63/1193857963.db2.gz ZRINEJWTLMIZDJ-CVEARBPZSA-N 2 2 312.498 3.208 20 0 DGADLP Cc1c[nH+]ccc1OC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000278365867 214120117 /nfs/dbraw/zinc/12/01/17/214120117.db2.gz DFPPKYXOSSXOEG-UHFFFAOYSA-N 2 2 308.385 3.314 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000076898806 185052448 /nfs/dbraw/zinc/05/24/48/185052448.db2.gz LLYHYNZNCNECGE-LBPRGKRZSA-N 2 2 317.260 3.194 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480183 214180167 /nfs/dbraw/zinc/18/01/67/214180167.db2.gz JFBBUOJMNQMQBC-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480183 214180168 /nfs/dbraw/zinc/18/01/68/214180168.db2.gz JFBBUOJMNQMQBC-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480183 214180171 /nfs/dbraw/zinc/18/01/71/214180171.db2.gz JFBBUOJMNQMQBC-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCCc3c(F)cccc3Cl)[C@H]2C1 ZINC000278480183 214180174 /nfs/dbraw/zinc/18/01/74/214180174.db2.gz JFBBUOJMNQMQBC-DYVFJYSZSA-N 2 2 310.844 3.438 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000079000113 185144118 /nfs/dbraw/zinc/14/41/18/185144118.db2.gz PNCLKPIIXRKQQX-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000278678920 214320616 /nfs/dbraw/zinc/32/06/16/214320616.db2.gz NRVXYYBAWXTSTO-ZDUSSCGKSA-N 2 2 305.447 3.319 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000278678920 214320619 /nfs/dbraw/zinc/32/06/19/214320619.db2.gz NRVXYYBAWXTSTO-ZDUSSCGKSA-N 2 2 305.447 3.319 20 0 DGADLP OC1(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CCCC1 ZINC000305778953 231052740 /nfs/dbraw/zinc/05/27/40/231052740.db2.gz MUFJBXAWBHOROB-UHFFFAOYSA-N 2 2 313.445 3.081 20 0 DGADLP OC1(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)CCCC1 ZINC000305778953 231052743 /nfs/dbraw/zinc/05/27/43/231052743.db2.gz MUFJBXAWBHOROB-UHFFFAOYSA-N 2 2 313.445 3.081 20 0 DGADLP Clc1cnc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309639834 231102255 /nfs/dbraw/zinc/10/22/55/231102255.db2.gz BLMWRUXZDPTAQC-AWEZNQCLSA-N 2 2 321.877 3.408 20 0 DGADLP Clc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309639834 231102258 /nfs/dbraw/zinc/10/22/58/231102258.db2.gz BLMWRUXZDPTAQC-AWEZNQCLSA-N 2 2 321.877 3.408 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000309776981 231106009 /nfs/dbraw/zinc/10/60/09/231106009.db2.gz JLEGRVILPGZOJJ-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309776981 231106013 /nfs/dbraw/zinc/10/60/13/231106013.db2.gz JLEGRVILPGZOJJ-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000310099042 231111680 /nfs/dbraw/zinc/11/16/80/231111680.db2.gz WSWVLBYBIDEZQT-XLIONFOSSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310099042 231111684 /nfs/dbraw/zinc/11/16/84/231111684.db2.gz WSWVLBYBIDEZQT-XLIONFOSSA-N 2 2 324.472 3.348 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000318787417 231174286 /nfs/dbraw/zinc/17/42/86/231174286.db2.gz RTJQIBOLOYEZNA-OAHLLOKOSA-N 2 2 304.482 3.128 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000318787417 231174289 /nfs/dbraw/zinc/17/42/89/231174289.db2.gz RTJQIBOLOYEZNA-OAHLLOKOSA-N 2 2 304.482 3.128 20 0 DGADLP COC1(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CCCCC1 ZINC000319200780 231180715 /nfs/dbraw/zinc/18/07/15/231180715.db2.gz PYGRPCTYNSNEDB-QGZVFWFLSA-N 2 2 304.478 3.446 20 0 DGADLP COC1(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000319200780 231180719 /nfs/dbraw/zinc/18/07/19/231180719.db2.gz PYGRPCTYNSNEDB-QGZVFWFLSA-N 2 2 304.478 3.446 20 0 DGADLP CCc1cc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000302054929 529556876 /nfs/dbraw/zinc/55/68/76/529556876.db2.gz QCQZNISNDLZMSP-CQSZACIVSA-N 2 2 310.445 3.206 20 0 DGADLP CCc1cc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000302054929 529556880 /nfs/dbraw/zinc/55/68/80/529556880.db2.gz QCQZNISNDLZMSP-CQSZACIVSA-N 2 2 310.445 3.206 20 0 DGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH2+]C)C3)cs2)cc1 ZINC000430963466 529577684 /nfs/dbraw/zinc/57/76/84/529577684.db2.gz VGMHKAULRVORHW-HNNXBMFYSA-N 2 2 315.486 3.414 20 0 DGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH2+]C)C3)cs2)cc1 ZINC000430963466 529577687 /nfs/dbraw/zinc/57/76/87/529577687.db2.gz VGMHKAULRVORHW-HNNXBMFYSA-N 2 2 315.486 3.414 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422743670 529585618 /nfs/dbraw/zinc/58/56/18/529585618.db2.gz IWGQBIJMOHFTEQ-UXPWSPDFSA-N 3 2 315.505 3.332 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cn(C(C)C)nc1C ZINC000415063017 529611651 /nfs/dbraw/zinc/61/16/51/529611651.db2.gz GOOJUCYJHLVKKG-SFHVURJKSA-N 2 2 300.450 3.124 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000415044307 529612125 /nfs/dbraw/zinc/61/21/25/529612125.db2.gz BQIQPNFTHHCVGU-IBGZPJMESA-N 2 2 314.429 3.056 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090522963 185300190 /nfs/dbraw/zinc/30/01/90/185300190.db2.gz BESDKKJLSKQPSG-UAGQMJEPSA-N 2 2 306.450 3.007 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272654303 282241684 /nfs/dbraw/zinc/24/16/84/282241684.db2.gz QJJZXMISQLFALD-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272654303 282241687 /nfs/dbraw/zinc/24/16/87/282241687.db2.gz QJJZXMISQLFALD-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272654303 282241689 /nfs/dbraw/zinc/24/16/89/282241689.db2.gz QJJZXMISQLFALD-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272654303 282241691 /nfs/dbraw/zinc/24/16/91/282241691.db2.gz QJJZXMISQLFALD-XLIONFOSSA-N 2 2 324.472 3.015 20 0 DGADLP c1csc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648531 185331229 /nfs/dbraw/zinc/33/12/29/185331229.db2.gz WGBKJNONMFDFJW-UHFFFAOYSA-N 2 2 313.430 3.172 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422803863 282248752 /nfs/dbraw/zinc/24/87/52/282248752.db2.gz JUAVYWJLPVAKPQ-BSDSXHPESA-N 2 2 321.534 3.251 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422803865 282248944 /nfs/dbraw/zinc/24/89/44/282248944.db2.gz JUAVYWJLPVAKPQ-XMTFNYHQSA-N 2 2 321.534 3.251 20 0 DGADLP C[N@H+](C[C@H]1CC=CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645165 185330780 /nfs/dbraw/zinc/33/07/80/185330780.db2.gz KBZCDJNKUFYUKG-SFHVURJKSA-N 2 2 313.489 3.377 20 0 DGADLP C[N@@H+](C[C@H]1CC=CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645165 185330781 /nfs/dbraw/zinc/33/07/81/185330781.db2.gz KBZCDJNKUFYUKG-SFHVURJKSA-N 2 2 313.489 3.377 20 0 DGADLP CCc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000428408151 529722567 /nfs/dbraw/zinc/72/25/67/529722567.db2.gz YIFHYLCGTZSBGI-QGZVFWFLSA-N 2 2 319.493 3.489 20 0 DGADLP CCc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000428408151 529722569 /nfs/dbraw/zinc/72/25/69/529722569.db2.gz YIFHYLCGTZSBGI-QGZVFWFLSA-N 2 2 319.493 3.489 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148620 529811248 /nfs/dbraw/zinc/81/12/48/529811248.db2.gz LPNOODGYNBZKOS-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148620 529811249 /nfs/dbraw/zinc/81/12/49/529811249.db2.gz LPNOODGYNBZKOS-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148620 529811251 /nfs/dbraw/zinc/81/12/51/529811251.db2.gz LPNOODGYNBZKOS-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(-c4ccsc4)s3)C2)C1 ZINC000430148620 529811253 /nfs/dbraw/zinc/81/12/53/529811253.db2.gz LPNOODGYNBZKOS-INIZCTEOSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430611922 529988519 /nfs/dbraw/zinc/98/85/19/529988519.db2.gz QCFRWNLGTCOPCK-LBPRGKRZSA-N 2 2 321.371 3.051 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000430611922 529988520 /nfs/dbraw/zinc/98/85/20/529988520.db2.gz QCFRWNLGTCOPCK-LBPRGKRZSA-N 2 2 321.371 3.051 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864173 530051578 /nfs/dbraw/zinc/05/15/78/530051578.db2.gz ZAFOHJWEXXSVDR-LIRRHRJNSA-N 2 2 311.473 3.345 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864173 530051579 /nfs/dbraw/zinc/05/15/79/530051579.db2.gz ZAFOHJWEXXSVDR-LIRRHRJNSA-N 2 2 311.473 3.345 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3cccc(C(F)F)c3)CC2)cc[nH+]1 ZINC000279694755 215067241 /nfs/dbraw/zinc/06/72/41/215067241.db2.gz ILVWNQBMPWYQPA-UHFFFAOYSA-N 2 2 318.371 3.045 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2cccs2)CC1 ZINC000272678659 210083835 /nfs/dbraw/zinc/08/38/35/210083835.db2.gz MUCSQINCHCPYJT-UHFFFAOYSA-N 2 2 306.397 3.297 20 0 DGADLP Oc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121371402 185788303 /nfs/dbraw/zinc/78/83/03/185788303.db2.gz PSEHTZQTFFMESJ-QGZVFWFLSA-N 2 2 309.413 3.033 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000279800363 215156118 /nfs/dbraw/zinc/15/61/18/215156118.db2.gz WBBWVDVOVAXGTM-BEFAXECRSA-N 2 2 309.413 3.243 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1O ZINC000277361251 213470870 /nfs/dbraw/zinc/47/08/70/213470870.db2.gz ZVGQNWYKAXKWGM-HOTGVXAUSA-N 2 2 320.477 3.186 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000138400449 186016259 /nfs/dbraw/zinc/01/62/59/186016259.db2.gz RJSLLUWBDUJPDQ-HNNXBMFYSA-N 2 2 322.412 3.036 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000139869757 186024745 /nfs/dbraw/zinc/02/47/45/186024745.db2.gz HTDLWIMIDWVYHE-PBHICJAKSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000139869757 186024747 /nfs/dbraw/zinc/02/47/47/186024747.db2.gz HTDLWIMIDWVYHE-PBHICJAKSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000139869757 186024749 /nfs/dbraw/zinc/02/47/49/186024749.db2.gz HTDLWIMIDWVYHE-PBHICJAKSA-N 2 2 308.853 3.265 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000139869757 186024750 /nfs/dbraw/zinc/02/47/50/186024750.db2.gz HTDLWIMIDWVYHE-PBHICJAKSA-N 2 2 308.853 3.265 20 0 DGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000155684419 186102805 /nfs/dbraw/zinc/10/28/05/186102805.db2.gz LHDFXOGVQDSQOK-BONVTDFDSA-N 2 2 300.406 3.142 20 0 DGADLP Cc1ccncc1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000280026645 215322523 /nfs/dbraw/zinc/32/25/23/215322523.db2.gz UJSWTPGPYICENY-UHFFFAOYSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1ccncc1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000280026645 215322526 /nfs/dbraw/zinc/32/25/26/215322526.db2.gz UJSWTPGPYICENY-UHFFFAOYSA-N 2 2 309.457 3.317 20 0 DGADLP CC(C)(C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000164067149 186147842 /nfs/dbraw/zinc/14/78/42/186147842.db2.gz VCXRYEUBZLIVQG-QGZVFWFLSA-N 2 2 324.896 3.301 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268740394 186373991 /nfs/dbraw/zinc/37/39/91/186373991.db2.gz RQXYZUPTJIUQSC-YLJYHZDGSA-N 3 2 315.505 3.113 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268740394 186373992 /nfs/dbraw/zinc/37/39/92/186373992.db2.gz RQXYZUPTJIUQSC-YLJYHZDGSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268756450 186380356 /nfs/dbraw/zinc/38/03/56/186380356.db2.gz XSEPQYLUYBNFTO-MJGOQNOKSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268756450 186380357 /nfs/dbraw/zinc/38/03/57/186380357.db2.gz XSEPQYLUYBNFTO-MJGOQNOKSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cn1 ZINC000280113055 215384840 /nfs/dbraw/zinc/38/48/40/215384840.db2.gz NRSHSAGTCWERBJ-LLVKDONJSA-N 2 2 324.266 3.122 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000173614692 198233229 /nfs/dbraw/zinc/23/32/29/198233229.db2.gz OAQGXWYPURNDFB-INIZCTEOSA-N 2 2 317.477 3.093 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000131072634 432032163 /nfs/dbraw/zinc/03/21/63/432032163.db2.gz VJFLYDSXHBRPOG-SXLOBPIMSA-N 2 2 316.489 3.474 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000277116347 213304492 /nfs/dbraw/zinc/30/44/92/213304492.db2.gz IJUOFMKMBSFFPW-MSOLQXFVSA-N 2 2 319.518 3.166 20 0 DGADLP C[N@H+](CC1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174653955 198365281 /nfs/dbraw/zinc/36/52/81/198365281.db2.gz HVACTVNPJZRGAI-UHFFFAOYSA-N 2 2 301.478 3.211 20 0 DGADLP C[N@@H+](CC1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174653955 198365282 /nfs/dbraw/zinc/36/52/82/198365282.db2.gz HVACTVNPJZRGAI-UHFFFAOYSA-N 2 2 301.478 3.211 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182179965 199399842 /nfs/dbraw/zinc/39/98/42/199399842.db2.gz NZJHGFCFEVNLBY-GOSISDBHSA-N 2 2 312.461 3.125 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163838327 432042804 /nfs/dbraw/zinc/04/28/04/432042804.db2.gz KAIGSVVPWYVQSJ-INIZCTEOSA-N 3 2 321.428 3.420 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000163838327 432042810 /nfs/dbraw/zinc/04/28/10/432042810.db2.gz KAIGSVVPWYVQSJ-INIZCTEOSA-N 2 2 321.428 3.420 20 0 DGADLP CC(C)OCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000236810296 202020564 /nfs/dbraw/zinc/02/05/64/202020564.db2.gz LMAPPHKRYSRNGE-UHFFFAOYSA-N 2 2 310.869 3.319 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179268630 432052670 /nfs/dbraw/zinc/05/26/70/432052670.db2.gz YAWQEUVAWZAZJB-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179268630 432052671 /nfs/dbraw/zinc/05/26/71/432052671.db2.gz YAWQEUVAWZAZJB-GOSISDBHSA-N 2 2 317.408 3.184 20 0 DGADLP C[NH+](C)CCOCCNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000498846826 540221653 /nfs/dbraw/zinc/22/16/53/540221653.db2.gz ZLHKCKOIQHSXFV-UHFFFAOYSA-N 2 2 322.497 3.062 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423311765 291084672 /nfs/dbraw/zinc/08/46/72/291084672.db2.gz QMIBVTSLZTWEDH-COPLHBTASA-N 2 2 309.251 3.339 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000179407473 432057487 /nfs/dbraw/zinc/05/74/87/432057487.db2.gz NHYDPUIUBSXSBM-GFCCVEGCSA-N 2 2 322.250 3.380 20 0 DGADLP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000166090470 432058845 /nfs/dbraw/zinc/05/88/45/432058845.db2.gz ZKICPMIYUOODGN-PKOBYXMFSA-N 2 2 302.462 3.230 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000081569355 192294253 /nfs/dbraw/zinc/29/42/53/192294253.db2.gz IJBBPYBEQRLPCI-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000081569355 192294255 /nfs/dbraw/zinc/29/42/55/192294255.db2.gz IJBBPYBEQRLPCI-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000081569355 192294258 /nfs/dbraw/zinc/29/42/58/192294258.db2.gz IJBBPYBEQRLPCI-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000081569355 192294261 /nfs/dbraw/zinc/29/42/61/192294261.db2.gz IJBBPYBEQRLPCI-AWEZNQCLSA-N 2 2 303.475 3.460 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166305175 432060203 /nfs/dbraw/zinc/06/02/03/432060203.db2.gz NFMOFAPTOGRLAW-KCQAQPDRSA-N 2 2 305.441 3.168 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166305175 432060204 /nfs/dbraw/zinc/06/02/04/432060204.db2.gz NFMOFAPTOGRLAW-KCQAQPDRSA-N 2 2 305.441 3.168 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@@H+]1C1CC1 ZINC000168510955 432069233 /nfs/dbraw/zinc/06/92/33/432069233.db2.gz MPEBTKTZHXTTAQ-ZYHUDNBSSA-N 2 2 314.351 3.142 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C[N@H+]1C1CC1 ZINC000168510955 432069235 /nfs/dbraw/zinc/06/92/35/432069235.db2.gz MPEBTKTZHXTTAQ-ZYHUDNBSSA-N 2 2 314.351 3.142 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)c[nH+]1 ZINC000168951172 432070747 /nfs/dbraw/zinc/07/07/47/432070747.db2.gz MWKLGIVLOFESKA-QYZOEREBSA-N 2 2 323.440 3.310 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000134054482 432073029 /nfs/dbraw/zinc/07/30/29/432073029.db2.gz XRTSQFAOVHWPQT-QFBILLFUSA-N 2 2 304.478 3.474 20 0 DGADLP CCN(CC)[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000179421473 199032592 /nfs/dbraw/zinc/03/25/92/199032592.db2.gz ROBUKXNKGCTTRG-MRXNPFEDSA-N 2 2 312.417 3.100 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045413 199111625 /nfs/dbraw/zinc/11/16/25/199111625.db2.gz NFMRBJGNQJSQKT-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045413 199111627 /nfs/dbraw/zinc/11/16/27/199111627.db2.gz NFMRBJGNQJSQKT-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045413 199111629 /nfs/dbraw/zinc/11/16/29/199111629.db2.gz NFMRBJGNQJSQKT-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000180045413 199111630 /nfs/dbraw/zinc/11/16/30/199111630.db2.gz NFMRBJGNQJSQKT-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000180151962 199123758 /nfs/dbraw/zinc/12/37/58/199123758.db2.gz TTXYUVJGJFZGPN-MJGOQNOKSA-N 2 2 312.457 3.208 20 0 DGADLP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000180151962 199123760 /nfs/dbraw/zinc/12/37/60/199123760.db2.gz TTXYUVJGJFZGPN-MJGOQNOKSA-N 2 2 312.457 3.208 20 0 DGADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000180151962 199123761 /nfs/dbraw/zinc/12/37/61/199123761.db2.gz TTXYUVJGJFZGPN-MJGOQNOKSA-N 2 2 312.457 3.208 20 0 DGADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000180151962 199123763 /nfs/dbraw/zinc/12/37/63/199123763.db2.gz TTXYUVJGJFZGPN-MJGOQNOKSA-N 2 2 312.457 3.208 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000181106755 199254060 /nfs/dbraw/zinc/25/40/60/199254060.db2.gz MSDIBUBHPSAFQA-GYSYKLTISA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000181106755 199254061 /nfs/dbraw/zinc/25/40/61/199254061.db2.gz MSDIBUBHPSAFQA-GYSYKLTISA-N 2 2 317.260 3.099 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)cc1F)C1CCCC1 ZINC000415068929 237048380 /nfs/dbraw/zinc/04/83/80/237048380.db2.gz RSNFBYRBUUKKNU-AWEZNQCLSA-N 2 2 315.230 3.195 20 0 DGADLP Cc1ccc([NH2+]C2CCC(C[NH3+])CC2)c(OC[C@@H]2CCCO2)c1 ZINC000415117711 237091267 /nfs/dbraw/zinc/09/12/67/237091267.db2.gz IXVXAEORQIYSDM-JCYILVPMSA-N 2 2 318.461 3.482 20 0 DGADLP Cc1ccc(NC(=O)N(CCC[NH3+])CC2CCCC2)c(C)[nH+]1 ZINC000415280636 237163976 /nfs/dbraw/zinc/16/39/76/237163976.db2.gz JJTGYPGQQQTXAW-UHFFFAOYSA-N 2 2 304.438 3.071 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036676 216036900 /nfs/dbraw/zinc/03/69/00/216036900.db2.gz GMYILRXGZWOLLS-JRKPZEMJSA-N 2 2 304.331 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000281036676 216036902 /nfs/dbraw/zinc/03/69/02/216036902.db2.gz GMYILRXGZWOLLS-JRKPZEMJSA-N 2 2 304.331 3.061 20 0 DGADLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000187682437 200143997 /nfs/dbraw/zinc/14/39/97/200143997.db2.gz JZJYAEROJHXXLH-IRXDYDNUSA-N 2 2 322.880 3.053 20 0 DGADLP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000187682452 200144582 /nfs/dbraw/zinc/14/45/82/200144582.db2.gz JZJYAEROJHXXLH-IAGOWNOFSA-N 2 2 322.880 3.053 20 0 DGADLP CC(C)[NH+](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C(C)C ZINC000187695406 200146275 /nfs/dbraw/zinc/14/62/75/200146275.db2.gz SGTQOUCZSZYBHV-KRWDZBQOSA-N 2 2 318.440 3.347 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000188112119 200196203 /nfs/dbraw/zinc/19/62/03/200196203.db2.gz CJHNIZKPHXPWEJ-ZACQAIPSSA-N 2 2 316.424 3.101 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000188092559 200191896 /nfs/dbraw/zinc/19/18/96/200191896.db2.gz RSOUEMYYMIMQOZ-ZDUSSCGKSA-N 2 2 322.250 3.257 20 0 DGADLP C[C@@H]1CC[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550536 200265456 /nfs/dbraw/zinc/26/54/56/200265456.db2.gz JZVVSXVXPBUSIR-VQIMIIECSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550536 200265458 /nfs/dbraw/zinc/26/54/58/200265458.db2.gz JZVVSXVXPBUSIR-VQIMIIECSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422749233 237793837 /nfs/dbraw/zinc/79/38/37/237793837.db2.gz YDPUXCYFHJYBNI-UXPWSPDFSA-N 3 2 315.505 3.462 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cc2)c[nH+]1 ZINC000189114812 200350406 /nfs/dbraw/zinc/35/04/06/200350406.db2.gz WJKNVCHAFBPBJW-IBGZPJMESA-N 2 2 311.429 3.263 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423195685 237831333 /nfs/dbraw/zinc/83/13/33/237831333.db2.gz YBUOJWBIYAAKHX-MOIQIXESSA-N 2 2 322.880 3.333 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189307687 200379549 /nfs/dbraw/zinc/37/95/49/200379549.db2.gz OYKHJSDXVSWZLA-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP O[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000189311380 200380250 /nfs/dbraw/zinc/38/02/50/200380250.db2.gz QZFAVYXFWKDKDR-YJBOKZPZSA-N 2 2 322.880 3.055 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccco2)s1 ZINC000281167125 216125643 /nfs/dbraw/zinc/12/56/43/216125643.db2.gz GRBYIFYXJTVSRA-UHFFFAOYSA-N 2 2 305.447 3.321 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccco2)s1 ZINC000281167125 216125645 /nfs/dbraw/zinc/12/56/45/216125645.db2.gz GRBYIFYXJTVSRA-UHFFFAOYSA-N 2 2 305.447 3.321 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134896410 432088998 /nfs/dbraw/zinc/08/89/98/432088998.db2.gz AEPKRTZNIGMWBL-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134896410 432089000 /nfs/dbraw/zinc/08/90/00/432089000.db2.gz AEPKRTZNIGMWBL-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000134896410 432089001 /nfs/dbraw/zinc/08/90/01/432089001.db2.gz AEPKRTZNIGMWBL-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000134896410 432089003 /nfs/dbraw/zinc/08/90/03/432089003.db2.gz AEPKRTZNIGMWBL-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP COc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c(F)cn1 ZINC000287870385 219778399 /nfs/dbraw/zinc/77/83/99/219778399.db2.gz XWUHJVHBWGMLCU-ZDUSSCGKSA-N 2 2 309.429 3.002 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040352 238007249 /nfs/dbraw/zinc/00/72/49/238007249.db2.gz JWLZWZSHODRIBE-YJBOKZPZSA-N 2 2 309.413 3.058 20 0 DGADLP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040352 238007250 /nfs/dbraw/zinc/00/72/50/238007250.db2.gz JWLZWZSHODRIBE-YJBOKZPZSA-N 2 2 309.413 3.058 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1 ZINC000428874428 238033450 /nfs/dbraw/zinc/03/34/50/238033450.db2.gz NEVSPSNXGSENPR-QWHCGFSZSA-N 2 2 305.422 3.152 20 0 DGADLP Fc1ccc2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1 ZINC000428874428 238033451 /nfs/dbraw/zinc/03/34/51/238033451.db2.gz NEVSPSNXGSENPR-QWHCGFSZSA-N 2 2 305.422 3.152 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428863991 238033455 /nfs/dbraw/zinc/03/34/55/238033455.db2.gz ABJVXMNKMKBRPC-OLZOCXBDSA-N 2 2 307.438 3.398 20 0 DGADLP Fc1ccc2nc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)sc2c1 ZINC000428879579 238033941 /nfs/dbraw/zinc/03/39/41/238033941.db2.gz HMWDTKFNUKQIOV-NSHDSACASA-N 2 2 305.422 3.009 20 0 DGADLP Fc1ccc2nc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)sc2c1 ZINC000428879579 238033942 /nfs/dbraw/zinc/03/39/42/238033942.db2.gz HMWDTKFNUKQIOV-NSHDSACASA-N 2 2 305.422 3.009 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(c3ccccc3F)C2)c[nH+]1 ZINC000430148679 238068976 /nfs/dbraw/zinc/06/89/76/238068976.db2.gz SMCUVNHBMWRINJ-KRWDZBQOSA-N 2 2 313.420 3.330 20 0 DGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000430572284 238080054 /nfs/dbraw/zinc/08/00/54/238080054.db2.gz FFRUJWZCOSAENF-ZBFHGGJFSA-N 2 2 316.449 3.411 20 0 DGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000430572284 238080055 /nfs/dbraw/zinc/08/00/55/238080055.db2.gz FFRUJWZCOSAENF-ZBFHGGJFSA-N 2 2 316.449 3.411 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430577200 238080146 /nfs/dbraw/zinc/08/01/46/238080146.db2.gz YSQASNWTOXZTAF-AWEZNQCLSA-N 2 2 306.429 3.001 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430577200 238080147 /nfs/dbraw/zinc/08/01/47/238080147.db2.gz YSQASNWTOXZTAF-AWEZNQCLSA-N 2 2 306.429 3.001 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000449680054 240363567 /nfs/dbraw/zinc/36/35/67/240363567.db2.gz FRKJQTWLSOVLGN-HOJAQTOUSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000449680054 240363570 /nfs/dbraw/zinc/36/35/70/240363570.db2.gz FRKJQTWLSOVLGN-HOJAQTOUSA-N 2 2 316.489 3.303 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000430883350 238088717 /nfs/dbraw/zinc/08/87/17/238088717.db2.gz CQUJUHLQAUSVAD-HOTGVXAUSA-N 2 2 312.417 3.313 20 0 DGADLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134927159 432091004 /nfs/dbraw/zinc/09/10/04/432091004.db2.gz FUNXPUCOAUWNKX-AEFFLSMTSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134927159 432091007 /nfs/dbraw/zinc/09/10/07/432091007.db2.gz FUNXPUCOAUWNKX-AEFFLSMTSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134927159 432091012 /nfs/dbraw/zinc/09/10/12/432091012.db2.gz FUNXPUCOAUWNKX-AEFFLSMTSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134927159 432091015 /nfs/dbraw/zinc/09/10/15/432091015.db2.gz FUNXPUCOAUWNKX-AEFFLSMTSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134927139 432091345 /nfs/dbraw/zinc/09/13/45/432091345.db2.gz FUNXPUCOAUWNKX-SJLPKXTDSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134927139 432091348 /nfs/dbraw/zinc/09/13/48/432091348.db2.gz FUNXPUCOAUWNKX-SJLPKXTDSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134927139 432091351 /nfs/dbraw/zinc/09/13/51/432091351.db2.gz FUNXPUCOAUWNKX-SJLPKXTDSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134927139 432091356 /nfs/dbraw/zinc/09/13/56/432091356.db2.gz FUNXPUCOAUWNKX-SJLPKXTDSA-N 2 2 324.472 3.091 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1(C)C ZINC000271918333 209322528 /nfs/dbraw/zinc/32/25/28/209322528.db2.gz ZISUWAPHBSXQBO-QZTJIDSGSA-N 2 2 313.445 3.225 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)n21 ZINC000434993423 238263752 /nfs/dbraw/zinc/26/37/52/238263752.db2.gz YYPKCQFVRUZUJB-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)n21 ZINC000434993423 238263759 /nfs/dbraw/zinc/26/37/59/238263759.db2.gz YYPKCQFVRUZUJB-LJQANCHMSA-N 2 2 320.440 3.131 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@H](C)C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435391197 238299421 /nfs/dbraw/zinc/29/94/21/238299421.db2.gz RTXMLNPJQSDRNO-MRXNPFEDSA-N 2 2 313.445 3.056 20 0 DGADLP Cc1cc(C[N@H+](C)[C@H](C)C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435391197 238299427 /nfs/dbraw/zinc/29/94/27/238299427.db2.gz RTXMLNPJQSDRNO-MRXNPFEDSA-N 2 2 313.445 3.056 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000193870551 201135991 /nfs/dbraw/zinc/13/59/91/201135991.db2.gz QTPIJGVJJDZVTA-KRWDZBQOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000193870551 201135995 /nfs/dbraw/zinc/13/59/95/201135995.db2.gz QTPIJGVJJDZVTA-KRWDZBQOSA-N 2 2 322.880 3.193 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000281493944 216339276 /nfs/dbraw/zinc/33/92/76/216339276.db2.gz WGAYRQAFDYTRJO-IBGZPJMESA-N 2 2 314.477 3.473 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccco2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000194338110 201206968 /nfs/dbraw/zinc/20/69/68/201206968.db2.gz UZYHPFISEYNDGF-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccco2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000194338110 201206970 /nfs/dbraw/zinc/20/69/70/201206970.db2.gz UZYHPFISEYNDGF-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000194338110 201206972 /nfs/dbraw/zinc/20/69/72/201206972.db2.gz UZYHPFISEYNDGF-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cnc(-c2ccco2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000194338110 201206974 /nfs/dbraw/zinc/20/69/74/201206974.db2.gz UZYHPFISEYNDGF-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](CC[NH2+]CC1=Cc2ccccc2OC1)Cc1ccccc1 ZINC000171050872 432098552 /nfs/dbraw/zinc/09/85/52/432098552.db2.gz VFBCKHGZQZHJPE-UHFFFAOYSA-N 2 2 308.425 3.184 20 0 DGADLP C[N@@H+](CC[NH2+]CC1=Cc2ccccc2OC1)Cc1ccccc1 ZINC000171050872 432098556 /nfs/dbraw/zinc/09/85/56/432098556.db2.gz VFBCKHGZQZHJPE-UHFFFAOYSA-N 2 2 308.425 3.184 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000271858659 209273261 /nfs/dbraw/zinc/27/32/61/209273261.db2.gz DQKWRVUKRSFUBD-INIZCTEOSA-N 2 2 322.880 3.463 20 0 DGADLP COCCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000442766759 239120289 /nfs/dbraw/zinc/12/02/89/239120289.db2.gz LMZMRTIOJGTVHG-ZOCIIQOWSA-N 2 2 320.452 3.366 20 0 DGADLP COCCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000442766759 239120294 /nfs/dbraw/zinc/12/02/94/239120294.db2.gz LMZMRTIOJGTVHG-ZOCIIQOWSA-N 2 2 320.452 3.366 20 0 DGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000449074634 240003704 /nfs/dbraw/zinc/00/37/04/240003704.db2.gz LBDPCYUEYRTILA-GOSISDBHSA-N 2 2 311.429 3.123 20 0 DGADLP COc1cc(F)cc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000449121016 240027986 /nfs/dbraw/zinc/02/79/86/240027986.db2.gz GLDFLLSYFPCFOE-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000449187022 240058144 /nfs/dbraw/zinc/05/81/44/240058144.db2.gz DCDCIQQLODLMJY-SGZDXZSOSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449187022 240058145 /nfs/dbraw/zinc/05/81/45/240058145.db2.gz DCDCIQQLODLMJY-SGZDXZSOSA-N 2 2 316.489 3.444 20 0 DGADLP COc1cccc2c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cccc12 ZINC000449224055 240078126 /nfs/dbraw/zinc/07/81/26/240078126.db2.gz GZHPFNPEDCXBKE-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cccc12 ZINC000449224055 240078129 /nfs/dbraw/zinc/07/81/29/240078129.db2.gz GZHPFNPEDCXBKE-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)cccc12 ZINC000449224055 240078133 /nfs/dbraw/zinc/07/81/33/240078133.db2.gz GZHPFNPEDCXBKE-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)cccc12 ZINC000449224055 240078138 /nfs/dbraw/zinc/07/81/38/240078138.db2.gz GZHPFNPEDCXBKE-DNVCBOLYSA-N 2 2 310.441 3.374 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449391263 240171396 /nfs/dbraw/zinc/17/13/96/240171396.db2.gz XUUJZRHDQHCHIQ-IEBWSBKVSA-N 2 2 318.505 3.179 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449391263 240171400 /nfs/dbraw/zinc/17/14/00/240171400.db2.gz XUUJZRHDQHCHIQ-IEBWSBKVSA-N 2 2 318.505 3.179 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000449398967 240173980 /nfs/dbraw/zinc/17/39/80/240173980.db2.gz XIQUCCIRPFXDMU-ZCNNSNEGSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000449398967 240173988 /nfs/dbraw/zinc/17/39/88/240173988.db2.gz XIQUCCIRPFXDMU-ZCNNSNEGSA-N 2 2 316.489 3.149 20 0 DGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCOC1 ZINC000449471415 240227822 /nfs/dbraw/zinc/22/78/22/240227822.db2.gz CQYPTCIUOWLBNT-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCOC1 ZINC000449471415 240227827 /nfs/dbraw/zinc/22/78/27/240227827.db2.gz CQYPTCIUOWLBNT-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000449471652 240229061 /nfs/dbraw/zinc/22/90/61/240229061.db2.gz CZHICYYUYQMQGW-KRWDZBQOSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000449471652 240229067 /nfs/dbraw/zinc/22/90/67/240229067.db2.gz CZHICYYUYQMQGW-KRWDZBQOSA-N 2 2 316.489 3.446 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)cc2)c[nH+]1 ZINC000449479880 240233087 /nfs/dbraw/zinc/23/30/87/240233087.db2.gz WNRROGJGGNFBRZ-QGZVFWFLSA-N 2 2 311.429 3.311 20 0 DGADLP CO[C@](C)(C[NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1 ZINC000449485110 240238911 /nfs/dbraw/zinc/23/89/11/240238911.db2.gz OWXFMNOVYQQDTA-LJQANCHMSA-N 2 2 309.413 3.294 20 0 DGADLP CC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449521405 240263258 /nfs/dbraw/zinc/26/32/58/240263258.db2.gz GSPJDYTYVAFNFP-HNNXBMFYSA-N 2 2 317.477 3.245 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449519072 240263758 /nfs/dbraw/zinc/26/37/58/240263758.db2.gz CDTYWFPKIGLDSO-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449519072 240263766 /nfs/dbraw/zinc/26/37/66/240263766.db2.gz CDTYWFPKIGLDSO-JCHJZTRSSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c[nH+]1 ZINC000449543100 240274952 /nfs/dbraw/zinc/27/49/52/240274952.db2.gz RZNVZBPPKOJEGW-OALUTQOASA-N 2 2 311.429 3.228 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)O ZINC000449547737 240278955 /nfs/dbraw/zinc/27/89/55/240278955.db2.gz YPEGQKSVIZDCSY-GUYCJALGSA-N 2 2 310.869 3.053 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](O)CC ZINC000449637762 240338365 /nfs/dbraw/zinc/33/83/65/240338365.db2.gz HTCNUDDDKMFESC-MSOLQXFVSA-N 2 2 324.896 3.444 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000092067021 193151398 /nfs/dbraw/zinc/15/13/98/193151398.db2.gz MNLNWTJOPGDGIO-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000092067021 193151400 /nfs/dbraw/zinc/15/14/00/193151400.db2.gz MNLNWTJOPGDGIO-VQIMIIECSA-N 2 2 324.472 3.091 20 0 DGADLP Fc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066980 193151996 /nfs/dbraw/zinc/15/19/96/193151996.db2.gz ZTPWWUJSTURRIT-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066980 193151997 /nfs/dbraw/zinc/15/19/97/193151997.db2.gz ZTPWWUJSTURRIT-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066980 193151998 /nfs/dbraw/zinc/15/19/98/193151998.db2.gz ZTPWWUJSTURRIT-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066980 193151999 /nfs/dbraw/zinc/15/19/99/193151999.db2.gz ZTPWWUJSTURRIT-ACJLOTCBSA-N 2 2 306.400 3.414 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000455488194 242214857 /nfs/dbraw/zinc/21/48/57/242214857.db2.gz UHKNDAQCKQVNMD-GJZGRUSLSA-N 2 2 318.465 3.391 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000455488194 242214861 /nfs/dbraw/zinc/21/48/61/242214861.db2.gz UHKNDAQCKQVNMD-GJZGRUSLSA-N 2 2 318.465 3.391 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335665 284000326 /nfs/dbraw/zinc/00/03/26/284000326.db2.gz GQULSVWWHQNNFU-QWHCGFSZSA-N 2 2 320.868 3.219 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091335665 284000330 /nfs/dbraw/zinc/00/03/30/284000330.db2.gz GQULSVWWHQNNFU-QWHCGFSZSA-N 2 2 320.868 3.219 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CCC[C@H]3C[NH+]3CCCCC3)n2c1 ZINC000092219254 193175755 /nfs/dbraw/zinc/17/57/55/193175755.db2.gz ZCAIQKBPERXSRB-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000459508885 243394794 /nfs/dbraw/zinc/39/47/94/243394794.db2.gz KXAQLQCQMSFKAJ-QGZVFWFLSA-N 2 2 309.417 3.066 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000459508885 243394798 /nfs/dbraw/zinc/39/47/98/243394798.db2.gz KXAQLQCQMSFKAJ-QGZVFWFLSA-N 2 2 309.417 3.066 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423412 243363432 /nfs/dbraw/zinc/36/34/32/243363432.db2.gz JPQJJGWBKUJFDL-WCQYABFASA-N 2 2 312.841 3.017 20 0 DGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000459423412 243363436 /nfs/dbraw/zinc/36/34/36/243363436.db2.gz JPQJJGWBKUJFDL-WCQYABFASA-N 2 2 312.841 3.017 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604326 296129267 /nfs/dbraw/zinc/12/92/67/296129267.db2.gz ZXTVGLIDSPSHPJ-WBVHZDCISA-N 2 2 301.478 3.420 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1N(C)C ZINC000447604326 296129268 /nfs/dbraw/zinc/12/92/68/296129268.db2.gz ZXTVGLIDSPSHPJ-WBVHZDCISA-N 2 2 301.478 3.420 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000468368479 244038519 /nfs/dbraw/zinc/03/85/19/244038519.db2.gz UIHMEUNQSQYYAS-FXAWDEMLSA-N 2 2 324.468 3.435 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000468368479 244038525 /nfs/dbraw/zinc/03/85/25/244038525.db2.gz UIHMEUNQSQYYAS-FXAWDEMLSA-N 2 2 324.468 3.435 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1N(C)C ZINC000423526044 299397254 /nfs/dbraw/zinc/39/72/54/299397254.db2.gz KWZOGLJDMSADND-ZYSHUDEJSA-N 2 2 309.457 3.159 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469854348 244130418 /nfs/dbraw/zinc/13/04/18/244130418.db2.gz SABXNHVLTHSWDC-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469854348 244130425 /nfs/dbraw/zinc/13/04/25/244130425.db2.gz SABXNHVLTHSWDC-NXEZZACHSA-N 2 2 303.233 3.171 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422896949 296135112 /nfs/dbraw/zinc/13/51/12/296135112.db2.gz YYIFTHITDTWSEE-AEFFLSMTSA-N 2 2 316.493 3.082 20 0 DGADLP CC(C)[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259439 244381459 /nfs/dbraw/zinc/38/14/59/244381459.db2.gz PKZUFLRIKQSQLO-AZUAARDMSA-N 2 2 316.489 3.080 20 0 DGADLP CC(C)[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259439 244381460 /nfs/dbraw/zinc/38/14/60/244381460.db2.gz PKZUFLRIKQSQLO-AZUAARDMSA-N 2 2 316.489 3.080 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000093597630 193272281 /nfs/dbraw/zinc/27/22/81/193272281.db2.gz FWUSJLCLXHQEAF-LSDHHAIUSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000093597630 193272283 /nfs/dbraw/zinc/27/22/83/193272283.db2.gz FWUSJLCLXHQEAF-LSDHHAIUSA-N 2 2 319.518 3.186 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742154 193299012 /nfs/dbraw/zinc/29/90/12/193299012.db2.gz WSAGFPQZDULMKA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742154 193299013 /nfs/dbraw/zinc/29/90/13/193299013.db2.gz WSAGFPQZDULMKA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742154 193299015 /nfs/dbraw/zinc/29/90/15/193299015.db2.gz WSAGFPQZDULMKA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000093742154 193299017 /nfs/dbraw/zinc/29/90/17/193299017.db2.gz WSAGFPQZDULMKA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1OC ZINC000093683642 193288364 /nfs/dbraw/zinc/28/83/64/193288364.db2.gz ZJWKNMYWTQEJAR-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1OC ZINC000093683642 193288366 /nfs/dbraw/zinc/28/83/66/193288366.db2.gz ZJWKNMYWTQEJAR-INIZCTEOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1OC ZINC000093683641 193288445 /nfs/dbraw/zinc/28/84/45/193288445.db2.gz ZJWKNMYWTQEJAR-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1OC ZINC000093683641 193288447 /nfs/dbraw/zinc/28/84/47/193288447.db2.gz ZJWKNMYWTQEJAR-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996635 193336970 /nfs/dbraw/zinc/33/69/70/193336970.db2.gz QBIVRSLNQDPHIT-CMPLNLGQSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000093996635 193336972 /nfs/dbraw/zinc/33/69/72/193336972.db2.gz QBIVRSLNQDPHIT-CMPLNLGQSA-N 2 2 315.230 3.147 20 0 DGADLP Fc1ccc2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)[nH]c2c1 ZINC000488301097 245175574 /nfs/dbraw/zinc/17/55/74/245175574.db2.gz PVHHECFDRMXWGD-KRWDZBQOSA-N 2 2 311.360 3.355 20 0 DGADLP Fc1ccc2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)[nH]c2c1 ZINC000488301097 245175579 /nfs/dbraw/zinc/17/55/79/245175579.db2.gz PVHHECFDRMXWGD-KRWDZBQOSA-N 2 2 311.360 3.355 20 0 DGADLP Cc1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000274897299 212019050 /nfs/dbraw/zinc/01/90/50/212019050.db2.gz OFQNUVIWGQXGKX-WMLDXEAASA-N 2 2 312.417 3.203 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000282469917 217019870 /nfs/dbraw/zinc/01/98/70/217019870.db2.gz PGWJVRLMVLBOAG-PWSUYJOCSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000282469917 217019873 /nfs/dbraw/zinc/01/98/73/217019873.db2.gz PGWJVRLMVLBOAG-PWSUYJOCSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000481244055 284339486 /nfs/dbraw/zinc/33/94/86/284339486.db2.gz ZKZQUWRDGURDIS-NVXWUHKLSA-N 2 2 308.441 3.402 20 0 DGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000481244055 284339489 /nfs/dbraw/zinc/33/94/89/284339489.db2.gz ZKZQUWRDGURDIS-NVXWUHKLSA-N 2 2 308.441 3.402 20 0 DGADLP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000282943815 217342481 /nfs/dbraw/zinc/34/24/81/217342481.db2.gz IXYZETSVRQRDEC-IBGZPJMESA-N 2 2 324.472 3.374 20 0 DGADLP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000282943815 217342484 /nfs/dbraw/zinc/34/24/84/217342484.db2.gz IXYZETSVRQRDEC-IBGZPJMESA-N 2 2 324.472 3.374 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000020506304 182225568 /nfs/dbraw/zinc/22/55/68/182225568.db2.gz CEZCOXGBLHMDQV-GFCCVEGCSA-N 2 2 308.223 3.387 20 0 DGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000493632606 246028146 /nfs/dbraw/zinc/02/81/46/246028146.db2.gz PNDXDGRYNRZNTE-FVNWOWOISA-N 2 2 324.428 3.104 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCc3ccccc3OC2)c[nH+]1 ZINC000493893273 246092880 /nfs/dbraw/zinc/09/28/80/246092880.db2.gz DSKOMHYJDNJNFQ-GOSISDBHSA-N 2 2 319.408 3.356 20 0 DGADLP CC[N@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267398238 206038267 /nfs/dbraw/zinc/03/82/67/206038267.db2.gz QFFJLFYHMYMBBV-UHFFFAOYSA-N 2 2 312.442 3.393 20 0 DGADLP CC[N@@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267398238 206038269 /nfs/dbraw/zinc/03/82/69/206038269.db2.gz QFFJLFYHMYMBBV-UHFFFAOYSA-N 2 2 312.442 3.393 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1N(C)C ZINC000268792329 432134032 /nfs/dbraw/zinc/13/40/32/432134032.db2.gz VJFJFQNWFJPBSJ-JQFCIGGWSA-N 2 2 305.441 3.169 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1N(C)C ZINC000268792329 432134035 /nfs/dbraw/zinc/13/40/35/432134035.db2.gz VJFJFQNWFJPBSJ-JQFCIGGWSA-N 2 2 305.441 3.169 20 0 DGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494431799 246146520 /nfs/dbraw/zinc/14/65/20/246146520.db2.gz QWWQYAWLPBJXLA-GFCCVEGCSA-N 2 2 313.298 3.146 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000494693004 246182846 /nfs/dbraw/zinc/18/28/46/246182846.db2.gz GQURBELUBMJQNN-GJZGRUSLSA-N 2 2 321.465 3.214 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000494648703 246176017 /nfs/dbraw/zinc/17/60/17/246176017.db2.gz OCEQDORZVUYEGG-KUHUBIRLSA-N 2 2 311.473 3.345 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000494648703 246176019 /nfs/dbraw/zinc/17/60/19/246176019.db2.gz OCEQDORZVUYEGG-KUHUBIRLSA-N 2 2 311.473 3.345 20 0 DGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000494876973 246205619 /nfs/dbraw/zinc/20/56/19/246205619.db2.gz GDQSKPRTLAMTTK-QAPCUYQASA-N 2 2 317.408 3.170 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183356 246245364 /nfs/dbraw/zinc/24/53/64/246245364.db2.gz KIBJNYVEFLUKEF-CVEARBPZSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183356 246245366 /nfs/dbraw/zinc/24/53/66/246245366.db2.gz KIBJNYVEFLUKEF-CVEARBPZSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183356 246245368 /nfs/dbraw/zinc/24/53/68/246245368.db2.gz KIBJNYVEFLUKEF-CVEARBPZSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc(C)c1OC(F)F ZINC000495183356 246245369 /nfs/dbraw/zinc/24/53/69/246245369.db2.gz KIBJNYVEFLUKEF-CVEARBPZSA-N 2 2 324.415 3.431 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495222538 246248802 /nfs/dbraw/zinc/24/88/02/246248802.db2.gz XCDAPTPQHYDCDY-PKOBYXMFSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495222538 246248804 /nfs/dbraw/zinc/24/88/04/246248804.db2.gz XCDAPTPQHYDCDY-PKOBYXMFSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495222538 246248808 /nfs/dbraw/zinc/24/88/08/246248808.db2.gz XCDAPTPQHYDCDY-PKOBYXMFSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495222538 246248812 /nfs/dbraw/zinc/24/88/12/246248812.db2.gz XCDAPTPQHYDCDY-PKOBYXMFSA-N 2 2 302.462 3.392 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115549459 296232680 /nfs/dbraw/zinc/23/26/80/296232680.db2.gz FKWOHLBEPLZBKU-AWEZNQCLSA-N 2 2 310.869 3.180 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115549459 296232683 /nfs/dbraw/zinc/23/26/83/296232683.db2.gz FKWOHLBEPLZBKU-AWEZNQCLSA-N 2 2 310.869 3.180 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1OC(F)F ZINC000268815473 432139709 /nfs/dbraw/zinc/13/97/09/432139709.db2.gz MCFFJJQRXJYRCI-WDEREUQCSA-N 2 2 313.323 3.363 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000246544609 432141472 /nfs/dbraw/zinc/14/14/72/432141472.db2.gz WEOQUZKAVCRAAS-BMGDILEWSA-N 2 2 320.477 3.261 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000268832577 432145044 /nfs/dbraw/zinc/14/50/44/432145044.db2.gz RHIHEJIHBURKJD-HUUCEWRRSA-N 2 2 317.433 3.420 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1Cl ZINC000284400523 218011520 /nfs/dbraw/zinc/01/15/20/218011520.db2.gz PRQHSIXEJQDBLN-GFCCVEGCSA-N 2 2 305.809 3.340 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000105897439 194163339 /nfs/dbraw/zinc/16/33/39/194163339.db2.gz JBUNXLUNLXAFID-UONOGXRCSA-N 2 2 317.437 3.350 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000105897439 194163341 /nfs/dbraw/zinc/16/33/41/194163341.db2.gz JBUNXLUNLXAFID-UONOGXRCSA-N 2 2 317.437 3.350 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112712 218295714 /nfs/dbraw/zinc/29/57/14/218295714.db2.gz RJPNWVYXOKBGGC-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112712 218295716 /nfs/dbraw/zinc/29/57/16/218295716.db2.gz RJPNWVYXOKBGGC-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112712 218295719 /nfs/dbraw/zinc/29/57/19/218295719.db2.gz RJPNWVYXOKBGGC-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)CC[C@@H]21 ZINC000285112712 218295721 /nfs/dbraw/zinc/29/57/21/218295721.db2.gz RJPNWVYXOKBGGC-WMZOPIPTSA-N 2 2 311.429 3.258 20 0 DGADLP CCC[N@H+](C)[C@@H](CNCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000285363503 218399147 /nfs/dbraw/zinc/39/91/47/218399147.db2.gz ANZWAXIAWLHZIZ-KRWDZBQOSA-N 2 2 320.868 3.246 20 0 DGADLP CCC[N@@H+](C)[C@@H](CNCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000285363503 218399149 /nfs/dbraw/zinc/39/91/49/218399149.db2.gz ANZWAXIAWLHZIZ-KRWDZBQOSA-N 2 2 320.868 3.246 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000109765074 194282868 /nfs/dbraw/zinc/28/28/68/194282868.db2.gz PFPIUVIDIYCRHH-NSHDSACASA-N 2 2 311.389 3.195 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792491 194284582 /nfs/dbraw/zinc/28/45/82/194284582.db2.gz JYHFUODEZDENHX-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268849209 207014355 /nfs/dbraw/zinc/01/43/55/207014355.db2.gz XRZWMEWZAPVZMS-AWEZNQCLSA-N 3 2 309.417 3.036 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000268885535 207054569 /nfs/dbraw/zinc/05/45/69/207054569.db2.gz NXBRKTNYEPMEDZ-INIZCTEOSA-N 2 2 308.853 3.073 20 0 DGADLP C[NH+](C)CCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268989845 207147284 /nfs/dbraw/zinc/14/72/84/207147284.db2.gz JKJSBVNSFNNWQX-UHFFFAOYSA-N 3 2 323.912 3.236 20 0 DGADLP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269078090 207225219 /nfs/dbraw/zinc/22/52/19/207225219.db2.gz NXNFMOWRONQNLJ-VHKYSDTDSA-N 2 2 319.408 3.181 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554597 532983748 /nfs/dbraw/zinc/98/37/48/532983748.db2.gz GKHYLXGDIWEGFU-GDBMZVCRSA-N 2 2 315.486 3.293 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000430554597 532983753 /nfs/dbraw/zinc/98/37/53/532983753.db2.gz GKHYLXGDIWEGFU-GDBMZVCRSA-N 2 2 315.486 3.293 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000270617945 252801716 /nfs/dbraw/zinc/80/17/16/252801716.db2.gz JOIYFTSZBFLMMP-XJKSGUPXSA-N 2 2 305.447 3.105 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000270617945 252801717 /nfs/dbraw/zinc/80/17/17/252801717.db2.gz JOIYFTSZBFLMMP-XJKSGUPXSA-N 2 2 305.447 3.105 20 0 DGADLP COc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1OC ZINC000119856915 195049614 /nfs/dbraw/zinc/04/96/14/195049614.db2.gz OUZYTTXRZSVIJG-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000119867198 195052002 /nfs/dbraw/zinc/05/20/02/195052002.db2.gz ORACYNUGETYXLB-LNLFQRSKSA-N 2 2 319.493 3.258 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119907128 195060507 /nfs/dbraw/zinc/06/05/07/195060507.db2.gz FHEZUYLFDPVPAO-BBWFWOEESA-N 2 2 320.477 3.154 20 0 DGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119907128 195060508 /nfs/dbraw/zinc/06/05/08/195060508.db2.gz FHEZUYLFDPVPAO-BBWFWOEESA-N 2 2 320.477 3.154 20 0 DGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430575144 533026726 /nfs/dbraw/zinc/02/67/26/533026726.db2.gz KCPVERGDPWHMDO-CZUORRHYSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430575144 533026729 /nfs/dbraw/zinc/02/67/29/533026729.db2.gz KCPVERGDPWHMDO-CZUORRHYSA-N 2 2 323.506 3.041 20 0 DGADLP C[C@@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC[NH2+]C1 ZINC000120135999 195103083 /nfs/dbraw/zinc/10/30/83/195103083.db2.gz IKBBVKFHUCHUAW-GOSISDBHSA-N 2 2 311.385 3.202 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000270097714 208156343 /nfs/dbraw/zinc/15/63/43/208156343.db2.gz BGRIBYYSYMXQHX-IRXDYDNUSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000270097714 208156349 /nfs/dbraw/zinc/15/63/49/208156349.db2.gz BGRIBYYSYMXQHX-IRXDYDNUSA-N 2 2 313.445 3.378 20 0 DGADLP c1cc(O[C@H]2CC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871397 253015723 /nfs/dbraw/zinc/01/57/23/253015723.db2.gz FUJGRWYJPGSTNI-ZWKOTPCHSA-N 2 2 316.445 3.417 20 0 DGADLP c1cc(O[C@H]2CC[N@H+](C[C@H]3CCC4(CCCCC4)O3)C2)cc[nH+]1 ZINC000336871397 253015724 /nfs/dbraw/zinc/01/57/24/253015724.db2.gz FUJGRWYJPGSTNI-ZWKOTPCHSA-N 2 2 316.445 3.417 20 0 DGADLP CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CCC1 ZINC000336871576 253015875 /nfs/dbraw/zinc/01/58/75/253015875.db2.gz GXJDHRKXFAOQCT-QGZVFWFLSA-N 2 2 315.461 3.136 20 0 DGADLP CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CCC1 ZINC000336871576 253015878 /nfs/dbraw/zinc/01/58/78/253015878.db2.gz GXJDHRKXFAOQCT-QGZVFWFLSA-N 2 2 315.461 3.136 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000337276268 253076377 /nfs/dbraw/zinc/07/63/77/253076377.db2.gz FCVYPOZWCDNPHT-IWCQGFGOSA-N 2 2 324.415 3.399 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000337276268 253076378 /nfs/dbraw/zinc/07/63/78/253076378.db2.gz FCVYPOZWCDNPHT-IWCQGFGOSA-N 2 2 324.415 3.399 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)c[nH+]c12 ZINC000337286415 253078585 /nfs/dbraw/zinc/07/85/85/253078585.db2.gz MDWPCAIWJXRLFF-ZIAGYGMSSA-N 2 2 309.360 3.283 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)oc1C ZINC000337481901 253124751 /nfs/dbraw/zinc/12/47/51/253124751.db2.gz QZEQQTZCERVROK-BMGDILEWSA-N 2 2 320.477 3.315 20 0 DGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000337410947 253110711 /nfs/dbraw/zinc/11/07/11/253110711.db2.gz WVPADCFJRHPSKA-HUUCEWRRSA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000337410947 253110713 /nfs/dbraw/zinc/11/07/13/253110713.db2.gz WVPADCFJRHPSKA-HUUCEWRRSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn1C ZINC000337416912 253112177 /nfs/dbraw/zinc/11/21/77/253112177.db2.gz PQVRDIGJRFCFSQ-HNNXBMFYSA-N 2 2 304.482 3.176 20 0 DGADLP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427885295 533043730 /nfs/dbraw/zinc/04/37/30/533043730.db2.gz IUABRUWBDLMPOU-DZGCQCFKSA-N 2 2 301.459 3.141 20 0 DGADLP c1c(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)[nH+]c2n1CCCC2 ZINC000337344009 253092806 /nfs/dbraw/zinc/09/28/06/253092806.db2.gz STERKFZHHZROQN-WMZOPIPTSA-N 2 2 324.472 3.473 20 0 DGADLP C[C@H]1CCC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000337502165 253128420 /nfs/dbraw/zinc/12/84/20/253128420.db2.gz BTJJPECIVIGROU-KBPBESRZSA-N 2 2 322.416 3.449 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000337780128 253173597 /nfs/dbraw/zinc/17/35/97/253173597.db2.gz AOMCBARAYGKAQX-LSTHTHJFSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000337780128 253173599 /nfs/dbraw/zinc/17/35/99/253173599.db2.gz AOMCBARAYGKAQX-LSTHTHJFSA-N 2 2 316.489 3.180 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000159088712 197325267 /nfs/dbraw/zinc/32/52/67/197325267.db2.gz FFCHKDDEQOXFLK-CYBMUJFWSA-N 2 2 312.404 3.116 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)Cn3cccn3)ccc2n1C1CC1 ZINC000338784416 253350841 /nfs/dbraw/zinc/35/08/41/253350841.db2.gz YRHBTEQOYDQFNV-CQSZACIVSA-N 2 2 323.444 3.308 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](CC)COC)ccc2n1C1CC1 ZINC000338784419 253351572 /nfs/dbraw/zinc/35/15/72/253351572.db2.gz YUKSLHNPUBUCHV-AWEZNQCLSA-N 2 2 301.434 3.448 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794561 197302213 /nfs/dbraw/zinc/30/22/13/197302213.db2.gz KSQJSNLMGYPPRG-HIFRSBDPSA-N 2 2 310.388 3.204 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794561 197302215 /nfs/dbraw/zinc/30/22/15/197302215.db2.gz KSQJSNLMGYPPRG-HIFRSBDPSA-N 2 2 310.388 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794561 197302217 /nfs/dbraw/zinc/30/22/17/197302217.db2.gz KSQJSNLMGYPPRG-HIFRSBDPSA-N 2 2 310.388 3.204 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794561 197302219 /nfs/dbraw/zinc/30/22/19/197302219.db2.gz KSQJSNLMGYPPRG-HIFRSBDPSA-N 2 2 310.388 3.204 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580721 197285441 /nfs/dbraw/zinc/28/54/41/197285441.db2.gz OCJWJYVMTQPAPK-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580721 197285443 /nfs/dbraw/zinc/28/54/43/197285443.db2.gz OCJWJYVMTQPAPK-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580721 197285444 /nfs/dbraw/zinc/28/54/44/197285444.db2.gz OCJWJYVMTQPAPK-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)CC[C@@H]21 ZINC000158580721 197285446 /nfs/dbraw/zinc/28/54/46/197285446.db2.gz OCJWJYVMTQPAPK-HIFRSBDPSA-N 2 2 317.458 3.319 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)cc2[nH+]1 ZINC000342717541 254036886 /nfs/dbraw/zinc/03/68/86/254036886.db2.gz VSGBEZQKHZNTIS-JSGCOSHPSA-N 2 2 314.433 3.232 20 0 DGADLP CCCCN(CCCC)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342583435 254013073 /nfs/dbraw/zinc/01/30/73/254013073.db2.gz HUBPJDKKNXUEOE-UHFFFAOYSA-N 2 2 320.481 3.018 20 0 DGADLP COCC[N@H+](CCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000342667782 254028699 /nfs/dbraw/zinc/02/86/99/254028699.db2.gz CHHGVTUIPDVWFN-UHFFFAOYSA-N 2 2 309.413 3.025 20 0 DGADLP COCC[N@@H+](CCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000342667782 254028702 /nfs/dbraw/zinc/02/87/02/254028702.db2.gz CHHGVTUIPDVWFN-UHFFFAOYSA-N 2 2 309.413 3.025 20 0 DGADLP CS[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@H]1[NH+](C)C ZINC000342705961 254035909 /nfs/dbraw/zinc/03/59/09/254035909.db2.gz WJAVOKRIVPACSM-CABCVRRESA-N 2 2 321.877 3.370 20 0 DGADLP Cc1cc[nH+]c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000342788998 254050162 /nfs/dbraw/zinc/05/01/62/254050162.db2.gz ONENCQGZRHTBJS-RYUDHWBXSA-N 2 2 312.255 3.437 20 0 DGADLP Fc1cccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000343596220 254165724 /nfs/dbraw/zinc/16/57/24/254165724.db2.gz CJXHEQGNXWOGKW-OAHLLOKOSA-N 2 2 304.340 3.056 20 0 DGADLP Fc1cccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000343596220 254165726 /nfs/dbraw/zinc/16/57/26/254165726.db2.gz CJXHEQGNXWOGKW-OAHLLOKOSA-N 2 2 304.340 3.056 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000343601567 254166410 /nfs/dbraw/zinc/16/64/10/254166410.db2.gz GWVSKRJUMPWXAW-INIZCTEOSA-N 2 2 320.433 3.047 20 0 DGADLP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000343601567 254166411 /nfs/dbraw/zinc/16/64/11/254166411.db2.gz GWVSKRJUMPWXAW-INIZCTEOSA-N 2 2 320.433 3.047 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)c3cccnc3)sc2C1 ZINC000344079257 254222699 /nfs/dbraw/zinc/22/26/99/254222699.db2.gz ZRQHHJXIVBSCJS-ZDUSSCGKSA-N 2 2 316.474 3.155 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)c3cccnc3)sc2C1 ZINC000344079257 254222701 /nfs/dbraw/zinc/22/27/01/254222701.db2.gz ZRQHHJXIVBSCJS-ZDUSSCGKSA-N 2 2 316.474 3.155 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000344194923 254237605 /nfs/dbraw/zinc/23/76/05/254237605.db2.gz IAFIQTUEIJMMSE-RHSMWYFYSA-N 2 2 304.482 3.040 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000344194923 254237607 /nfs/dbraw/zinc/23/76/07/254237607.db2.gz IAFIQTUEIJMMSE-RHSMWYFYSA-N 2 2 304.482 3.040 20 0 DGADLP Cc1cccc2nc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn21 ZINC000157085275 197161159 /nfs/dbraw/zinc/16/11/59/197161159.db2.gz LCBWEONNDDDBJM-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccc2nc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn21 ZINC000157085275 197161160 /nfs/dbraw/zinc/16/11/60/197161160.db2.gz LCBWEONNDDDBJM-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355610 254261194 /nfs/dbraw/zinc/26/11/94/254261194.db2.gz SZWZPOSMCAMSJJ-APWZRJJASA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355610 254261196 /nfs/dbraw/zinc/26/11/96/254261196.db2.gz SZWZPOSMCAMSJJ-APWZRJJASA-N 2 2 302.462 3.228 20 0 DGADLP COc1cccc(Cl)c1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000344545658 254281609 /nfs/dbraw/zinc/28/16/09/254281609.db2.gz SGFMCMBXEBJECP-GFCCVEGCSA-N 2 2 305.809 3.212 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000261447633 285191482 /nfs/dbraw/zinc/19/14/82/285191482.db2.gz HXAAUIQNGKLXGS-LJQANCHMSA-N 2 2 316.489 3.354 20 0 DGADLP CC(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000261447633 285191485 /nfs/dbraw/zinc/19/14/85/285191485.db2.gz HXAAUIQNGKLXGS-LJQANCHMSA-N 2 2 316.489 3.354 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000344738393 254301126 /nfs/dbraw/zinc/30/11/26/254301126.db2.gz CZVSMSZJVMCTIV-QGZVFWFLSA-N 2 2 318.505 3.487 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000344814200 254308009 /nfs/dbraw/zinc/30/80/09/254308009.db2.gz JGWGLUVVNVHFIC-GDBMZVCRSA-N 2 2 322.449 3.056 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000344814246 254308090 /nfs/dbraw/zinc/30/80/90/254308090.db2.gz JGWGLUVVNVHFIC-ZBFHGGJFSA-N 2 2 322.449 3.056 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCc4cn(C(C)C)nc4C3)c[nH+]c12 ZINC000345005860 254322825 /nfs/dbraw/zinc/32/28/25/254322825.db2.gz CDHWWAABMQPSCX-INIZCTEOSA-N 2 2 323.444 3.067 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344065 254355904 /nfs/dbraw/zinc/35/59/04/254355904.db2.gz AFTLNRUVPVYEHT-BPQIPLTHSA-N 2 2 310.445 3.001 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000345344065 254355906 /nfs/dbraw/zinc/35/59/06/254355906.db2.gz AFTLNRUVPVYEHT-BPQIPLTHSA-N 2 2 310.445 3.001 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294968745 533207766 /nfs/dbraw/zinc/20/77/66/533207766.db2.gz NUKMRRDQAARSET-BHIYHBOVSA-N 2 2 313.445 3.024 20 0 DGADLP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294968745 533207770 /nfs/dbraw/zinc/20/77/70/533207770.db2.gz NUKMRRDQAARSET-BHIYHBOVSA-N 2 2 313.445 3.024 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000120707544 195220189 /nfs/dbraw/zinc/22/01/89/195220189.db2.gz ZDJJEEBHJZQGGM-AWEZNQCLSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1nnc([C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000289493175 221015315 /nfs/dbraw/zinc/01/53/15/221015315.db2.gz ZHCAEMRENSZVCV-GFCCVEGCSA-N 2 2 318.446 3.154 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000289682931 221151789 /nfs/dbraw/zinc/15/17/89/221151789.db2.gz MTURMZIWBDJMMA-UHFFFAOYSA-N 2 2 310.441 3.306 20 0 DGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCOC(C)(C)C1 ZINC000289733208 221186787 /nfs/dbraw/zinc/18/67/87/221186787.db2.gz JCIZCOOVAJFYEJ-INIZCTEOSA-N 2 2 314.433 3.047 20 0 DGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCOC(C)(C)C1 ZINC000289733208 221186790 /nfs/dbraw/zinc/18/67/90/221186790.db2.gz JCIZCOOVAJFYEJ-INIZCTEOSA-N 2 2 314.433 3.047 20 0 DGADLP C=Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289780593 221220858 /nfs/dbraw/zinc/22/08/58/221220858.db2.gz RPEKWPYDPJMSNF-FQEVSTJZSA-N 2 2 322.456 3.082 20 0 DGADLP C=Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289780593 221220861 /nfs/dbraw/zinc/22/08/61/221220861.db2.gz RPEKWPYDPJMSNF-FQEVSTJZSA-N 2 2 322.456 3.082 20 0 DGADLP C=Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289780593 221220863 /nfs/dbraw/zinc/22/08/63/221220863.db2.gz RPEKWPYDPJMSNF-FQEVSTJZSA-N 2 2 322.456 3.082 20 0 DGADLP C=Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289780593 221220867 /nfs/dbraw/zinc/22/08/67/221220867.db2.gz RPEKWPYDPJMSNF-FQEVSTJZSA-N 2 2 322.456 3.082 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294912504 224306207 /nfs/dbraw/zinc/30/62/07/224306207.db2.gz FATBZOALVOSLFB-PBHICJAKSA-N 2 2 315.486 3.247 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294912504 224306209 /nfs/dbraw/zinc/30/62/09/224306209.db2.gz FATBZOALVOSLFB-PBHICJAKSA-N 2 2 315.486 3.247 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289879465 221289415 /nfs/dbraw/zinc/28/94/15/221289415.db2.gz WBABSJMNELBRSU-YOFSQIOKSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289879465 221289418 /nfs/dbraw/zinc/28/94/18/221289418.db2.gz WBABSJMNELBRSU-YOFSQIOKSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289879465 221289420 /nfs/dbraw/zinc/28/94/20/221289420.db2.gz WBABSJMNELBRSU-YOFSQIOKSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289879465 221289423 /nfs/dbraw/zinc/28/94/23/221289423.db2.gz WBABSJMNELBRSU-YOFSQIOKSA-N 2 2 324.472 3.238 20 0 DGADLP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000289994824 221367719 /nfs/dbraw/zinc/36/77/19/221367719.db2.gz KSLLUFZMBRALHZ-GUYCJALGSA-N 2 2 319.836 3.078 20 0 DGADLP C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCc1c[nH+]cn1C ZINC000289994824 221367721 /nfs/dbraw/zinc/36/77/21/221367721.db2.gz KSLLUFZMBRALHZ-GUYCJALGSA-N 2 2 319.836 3.078 20 0 DGADLP Cc1cnccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000294967825 224345712 /nfs/dbraw/zinc/34/57/12/224345712.db2.gz WQIFAQVMLKWXNP-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cnccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000294967825 224345713 /nfs/dbraw/zinc/34/57/13/224345713.db2.gz WQIFAQVMLKWXNP-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535573 285353942 /nfs/dbraw/zinc/35/39/42/285353942.db2.gz SFQKPYFKSXCHTN-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535573 285353944 /nfs/dbraw/zinc/35/39/44/285353944.db2.gz SFQKPYFKSXCHTN-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc[nH+]cc1C)c1ccco1 ZINC000121038406 195285520 /nfs/dbraw/zinc/28/55/20/195285520.db2.gz QCYUJDRAIMQXOW-OAHLLOKOSA-N 2 2 316.405 3.188 20 0 DGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000121773048 195345165 /nfs/dbraw/zinc/34/51/65/195345165.db2.gz DRYBIPHLBUBHSU-UHFFFAOYSA-N 2 2 306.454 3.222 20 0 DGADLP COC[C@]1(C[NH2+]Cc2cc(-c3ccccc3)cs2)CCC[NH2+]1 ZINC000414941591 533235802 /nfs/dbraw/zinc/23/58/02/533235802.db2.gz JABKGOZSEKDETL-GOSISDBHSA-N 2 2 316.470 3.273 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415130975 533423889 /nfs/dbraw/zinc/42/38/89/533423889.db2.gz ROZARFBVPRCJCM-PWSUYJOCSA-N 2 2 317.260 3.419 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415130975 533423893 /nfs/dbraw/zinc/42/38/93/533423893.db2.gz ROZARFBVPRCJCM-PWSUYJOCSA-N 2 2 317.260 3.419 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761917 533439343 /nfs/dbraw/zinc/43/93/43/533439343.db2.gz YIWBLEJCWDJUTI-APWZRJJASA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761917 533439347 /nfs/dbraw/zinc/43/93/47/533439347.db2.gz YIWBLEJCWDJUTI-APWZRJJASA-N 2 2 310.445 3.039 20 0 DGADLP c1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)CC[NH2+]2)cc1 ZINC000422970036 285490410 /nfs/dbraw/zinc/49/04/10/285490410.db2.gz FATXSXSMXDCOEP-QUCCMNQESA-N 3 2 313.489 3.086 20 0 DGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)CC[NH2+]2)cc1 ZINC000422970035 285489365 /nfs/dbraw/zinc/48/93/65/285489365.db2.gz FATXSXSMXDCOEP-ICSRJNTNSA-N 3 2 313.489 3.086 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000356875541 285533913 /nfs/dbraw/zinc/53/39/13/285533913.db2.gz QZXFYEDIUCFCKP-XYJFISCASA-N 2 2 317.477 3.012 20 0 DGADLP CC[C@@H](CCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188799 545824809 /nfs/dbraw/zinc/82/48/09/545824809.db2.gz LJTVFZSJXUNQRB-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@@H](CCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188799 545824812 /nfs/dbraw/zinc/82/48/12/545824812.db2.gz LJTVFZSJXUNQRB-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000584782558 400102867 /nfs/dbraw/zinc/10/28/67/400102867.db2.gz QDTLNVDVDRDKSQ-SJORKVTESA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000584782558 400102872 /nfs/dbraw/zinc/10/28/72/400102872.db2.gz QDTLNVDVDRDKSQ-SJORKVTESA-N 2 2 324.415 3.437 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000091265320 400109145 /nfs/dbraw/zinc/10/91/45/400109145.db2.gz JGNQDTGXNSTPIX-GFCCVEGCSA-N 2 2 320.868 3.362 20 0 DGADLP CCCc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C(C)C)cc1 ZINC000091337014 400113975 /nfs/dbraw/zinc/11/39/75/400113975.db2.gz QQMMLHQGELMTNM-PMACEKPBSA-N 2 2 317.521 3.172 20 0 DGADLP CCCc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C(C)C)cc1 ZINC000091337014 400113982 /nfs/dbraw/zinc/11/39/82/400113982.db2.gz QQMMLHQGELMTNM-PMACEKPBSA-N 2 2 317.521 3.172 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1sccc1Br ZINC000309763215 400132396 /nfs/dbraw/zinc/13/23/96/400132396.db2.gz MZHUXLLEZBPJQG-VHSXEESVSA-N 2 2 305.285 3.359 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091959902 400142711 /nfs/dbraw/zinc/14/27/11/400142711.db2.gz CXDYMNAVXZXDFI-WFASDCNBSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091959902 400142716 /nfs/dbraw/zinc/14/27/16/400142716.db2.gz CXDYMNAVXZXDFI-WFASDCNBSA-N 2 2 324.350 3.380 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066957 400151655 /nfs/dbraw/zinc/15/16/55/400151655.db2.gz NXRVNAFTLCQJLY-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066957 400151659 /nfs/dbraw/zinc/15/16/59/400151659.db2.gz NXRVNAFTLCQJLY-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066957 400151664 /nfs/dbraw/zinc/15/16/64/400151664.db2.gz NXRVNAFTLCQJLY-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066957 400151671 /nfs/dbraw/zinc/15/16/71/400151671.db2.gz NXRVNAFTLCQJLY-RHSMWYFYSA-N 2 2 317.502 3.469 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072059 400152219 /nfs/dbraw/zinc/15/22/19/400152219.db2.gz WTBMMUOKXLVWBD-GFCCVEGCSA-N 2 2 313.430 3.241 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072059 400152222 /nfs/dbraw/zinc/15/22/22/400152222.db2.gz WTBMMUOKXLVWBD-GFCCVEGCSA-N 2 2 313.430 3.241 20 0 DGADLP c1ccc2c(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)n[nH]c2c1 ZINC000589638984 400312904 /nfs/dbraw/zinc/31/29/04/400312904.db2.gz KQSSIPWNRNBDQA-UHFFFAOYSA-N 2 2 320.440 3.449 20 0 DGADLP CSCc1cnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000590349673 400381437 /nfs/dbraw/zinc/38/14/37/400381437.db2.gz ZISHSZPUGUAIKV-GFCCVEGCSA-N 2 2 308.476 3.040 20 0 DGADLP CSCc1cnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000590349673 400381440 /nfs/dbraw/zinc/38/14/40/400381440.db2.gz ZISHSZPUGUAIKV-GFCCVEGCSA-N 2 2 308.476 3.040 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000596644634 400469872 /nfs/dbraw/zinc/46/98/72/400469872.db2.gz JETXHLNYSDJQQH-LLVKDONJSA-N 2 2 304.768 3.125 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000596644634 400469878 /nfs/dbraw/zinc/46/98/78/400469878.db2.gz JETXHLNYSDJQQH-LLVKDONJSA-N 2 2 304.768 3.125 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000043532874 400470961 /nfs/dbraw/zinc/47/09/61/400470961.db2.gz AZHDAFAMOWILRX-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000045134740 400512417 /nfs/dbraw/zinc/51/24/17/400512417.db2.gz VETIQIPHWUOCRY-LLVKDONJSA-N 2 2 317.296 3.331 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC000045134740 400512422 /nfs/dbraw/zinc/51/24/22/400512422.db2.gz VETIQIPHWUOCRY-LLVKDONJSA-N 2 2 317.296 3.331 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ncccc12 ZINC000591082128 400483871 /nfs/dbraw/zinc/48/38/71/400483871.db2.gz CXZWHSKGGIAGTG-HNNXBMFYSA-N 2 2 310.376 3.408 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129098209 400521460 /nfs/dbraw/zinc/52/14/60/400521460.db2.gz MZZUGDNQDDPQDE-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000129098209 400521470 /nfs/dbraw/zinc/52/14/70/400521470.db2.gz MZZUGDNQDDPQDE-RISCZKNCSA-N 2 2 305.809 3.307 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000142824595 400631793 /nfs/dbraw/zinc/63/17/93/400631793.db2.gz JXMAYVLXTOYGKE-UHFFFAOYSA-N 2 2 322.497 3.212 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)ccc2n1C ZINC000075410382 400584398 /nfs/dbraw/zinc/58/43/98/400584398.db2.gz SAOHMAVPSOCPPI-CYBMUJFWSA-N 2 2 314.433 3.085 20 0 DGADLP COC(=O)c1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(F)c1 ZINC000597221270 400591090 /nfs/dbraw/zinc/59/10/90/400591090.db2.gz FUWULYLHIDTWMK-UHFFFAOYSA-N 2 2 316.376 3.038 20 0 DGADLP Cc1ccc(CCC[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)c[nH+]1 ZINC000597240687 400597116 /nfs/dbraw/zinc/59/71/16/400597116.db2.gz ZAMMOCHPCARDJY-UHFFFAOYSA-N 2 2 318.461 3.424 20 0 DGADLP Cc1nc(C)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000076865953 400678094 /nfs/dbraw/zinc/67/80/94/400678094.db2.gz AOLXLXQZEYVPHN-UHFFFAOYSA-N 2 2 312.442 3.295 20 0 DGADLP Cc1cccn2cc(CN3CCC[C@H]([NH+]4CCCC4)CC3)[nH+]c12 ZINC000606447675 400914814 /nfs/dbraw/zinc/91/48/14/400914814.db2.gz KLMJBCLJEBHDEL-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc12 ZINC000606447675 400914816 /nfs/dbraw/zinc/91/48/16/400914816.db2.gz KLMJBCLJEBHDEL-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cccn2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc12 ZINC000606447675 400914817 /nfs/dbraw/zinc/91/48/17/400914817.db2.gz KLMJBCLJEBHDEL-SFHVURJKSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000237571958 400991487 /nfs/dbraw/zinc/99/14/87/400991487.db2.gz RGCRAMQZWBELHG-DZGCQCFKSA-N 2 2 323.868 3.049 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000237571958 400991493 /nfs/dbraw/zinc/99/14/93/400991493.db2.gz RGCRAMQZWBELHG-DZGCQCFKSA-N 2 2 323.868 3.049 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959780 401008129 /nfs/dbraw/zinc/00/81/29/401008129.db2.gz KKHCTTFYCITRCA-CYBMUJFWSA-N 2 2 307.344 3.391 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959780 401008136 /nfs/dbraw/zinc/00/81/36/401008136.db2.gz KKHCTTFYCITRCA-CYBMUJFWSA-N 2 2 307.344 3.391 20 0 DGADLP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560249 400975089 /nfs/dbraw/zinc/97/50/89/400975089.db2.gz DWENHMHJEPVHCP-NQBHXWOUSA-N 2 2 304.331 3.346 20 0 DGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560249 400975099 /nfs/dbraw/zinc/97/50/99/400975099.db2.gz DWENHMHJEPVHCP-NQBHXWOUSA-N 2 2 304.331 3.346 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561722 400977488 /nfs/dbraw/zinc/97/74/88/400977488.db2.gz YLJIZRVILIOATP-PWSUYJOCSA-N 2 2 322.758 3.005 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561722 400977492 /nfs/dbraw/zinc/97/74/92/400977492.db2.gz YLJIZRVILIOATP-PWSUYJOCSA-N 2 2 322.758 3.005 20 0 DGADLP CN(C)CC[NH2+]Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710354 401054146 /nfs/dbraw/zinc/05/41/46/401054146.db2.gz RPJZTEVMEALOSV-UHFFFAOYSA-N 2 2 324.472 3.000 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000248852250 401078420 /nfs/dbraw/zinc/07/84/20/401078420.db2.gz ULUSVQKSXYBWOF-SCTDSRPQSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000248852250 401078429 /nfs/dbraw/zinc/07/84/29/401078429.db2.gz ULUSVQKSXYBWOF-SCTDSRPQSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656378 401022107 /nfs/dbraw/zinc/02/21/07/401022107.db2.gz NWRFAOCPDHQARG-OLZOCXBDSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656378 401022114 /nfs/dbraw/zinc/02/21/14/401022114.db2.gz NWRFAOCPDHQARG-OLZOCXBDSA-N 2 2 304.331 3.093 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000599345115 401028442 /nfs/dbraw/zinc/02/84/42/401028442.db2.gz MJDAJBFWCBHQOH-INIZCTEOSA-N 2 2 324.509 3.303 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000599345115 401028444 /nfs/dbraw/zinc/02/84/44/401028444.db2.gz MJDAJBFWCBHQOH-INIZCTEOSA-N 2 2 324.509 3.303 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000599385807 401039458 /nfs/dbraw/zinc/03/94/58/401039458.db2.gz NQPLXMLLJYQPNY-JKSUJKDBSA-N 2 2 312.498 3.159 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000599385807 401039467 /nfs/dbraw/zinc/03/94/67/401039467.db2.gz NQPLXMLLJYQPNY-JKSUJKDBSA-N 2 2 312.498 3.159 20 0 DGADLP FC(F)(F)c1ncccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625140333 401040714 /nfs/dbraw/zinc/04/07/14/401040714.db2.gz IIVFGWMKOBKYQB-ZDUSSCGKSA-N 2 2 310.323 3.134 20 0 DGADLP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625140333 401040716 /nfs/dbraw/zinc/04/07/16/401040716.db2.gz IIVFGWMKOBKYQB-ZDUSSCGKSA-N 2 2 310.323 3.134 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000620439861 401095216 /nfs/dbraw/zinc/09/52/16/401095216.db2.gz LHWKGKGOFRHDCV-IBGZPJMESA-N 2 2 304.478 3.256 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000620439861 401095220 /nfs/dbraw/zinc/09/52/20/401095220.db2.gz LHWKGKGOFRHDCV-IBGZPJMESA-N 2 2 304.478 3.256 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000358305539 286026564 /nfs/dbraw/zinc/02/65/64/286026564.db2.gz VFNSTRNJUJHIJD-MNEFBYGVSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000358305539 286026566 /nfs/dbraw/zinc/02/65/66/286026566.db2.gz VFNSTRNJUJHIJD-MNEFBYGVSA-N 2 2 324.472 3.430 20 0 DGADLP Cc1nccnc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000621340832 401174251 /nfs/dbraw/zinc/17/42/51/401174251.db2.gz SKKNJORNYSVSOP-HZPDHXFCSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H]3C(C)C)c2cc1C ZINC000063619197 401204741 /nfs/dbraw/zinc/20/47/41/401204741.db2.gz VNDDZKOBXIPNTL-WMZOPIPTSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H]3C(C)C)c2cc1C ZINC000063619197 401204748 /nfs/dbraw/zinc/20/47/48/401204748.db2.gz VNDDZKOBXIPNTL-WMZOPIPTSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000088684417 401205038 /nfs/dbraw/zinc/20/50/38/401205038.db2.gz IRYUXUXCXZYGGL-LPHOPBHVSA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000088684417 401205045 /nfs/dbraw/zinc/20/50/45/401205045.db2.gz IRYUXUXCXZYGGL-LPHOPBHVSA-N 3 2 312.461 3.007 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000594955603 401205764 /nfs/dbraw/zinc/20/57/64/401205764.db2.gz CRGOXRYOAZUUKJ-ULQDDVLXSA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000594955603 401205768 /nfs/dbraw/zinc/20/57/68/401205768.db2.gz CRGOXRYOAZUUKJ-ULQDDVLXSA-N 2 2 324.509 3.351 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177433 401263597 /nfs/dbraw/zinc/26/35/97/401263597.db2.gz LEWRBCPKXNBZGV-GYSYKLTISA-N 2 2 316.367 3.245 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000090177433 401263602 /nfs/dbraw/zinc/26/36/02/401263602.db2.gz LEWRBCPKXNBZGV-GYSYKLTISA-N 2 2 316.367 3.245 20 0 DGADLP CCOCC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000625977813 401271004 /nfs/dbraw/zinc/27/10/04/401271004.db2.gz WEBMEDLLVLIBRR-IBGZPJMESA-N 2 2 313.445 3.299 20 0 DGADLP CCOCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000625977813 401271006 /nfs/dbraw/zinc/27/10/06/401271006.db2.gz WEBMEDLLVLIBRR-IBGZPJMESA-N 2 2 313.445 3.299 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362434 286042004 /nfs/dbraw/zinc/04/20/04/286042004.db2.gz YEMHBCBQEWYLFX-PBHICJAKSA-N 2 2 323.431 3.460 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358362434 286042005 /nfs/dbraw/zinc/04/20/05/286042005.db2.gz YEMHBCBQEWYLFX-PBHICJAKSA-N 2 2 323.431 3.460 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342867 401228767 /nfs/dbraw/zinc/22/87/67/401228767.db2.gz IRFUAZZOKCABAS-VXLIZBOYSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)CC2)C1 ZINC000608342867 401228775 /nfs/dbraw/zinc/22/87/75/401228775.db2.gz IRFUAZZOKCABAS-VXLIZBOYSA-N 2 2 316.489 3.353 20 0 DGADLP CCC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(OC)cc1 ZINC000090047501 401251500 /nfs/dbraw/zinc/25/15/00/401251500.db2.gz BMGHHJDQGSILFV-VQIMIIECSA-N 2 2 320.477 3.237 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000634678062 401331226 /nfs/dbraw/zinc/33/12/26/401331226.db2.gz HMGNXDZQDPKSIU-CABCVRRESA-N 2 2 308.491 3.432 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000634678979 401331962 /nfs/dbraw/zinc/33/19/62/401331962.db2.gz IHVWEGDTVVGTEQ-SFHVURJKSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1OC ZINC000622004253 401335414 /nfs/dbraw/zinc/33/54/14/401335414.db2.gz MNTCAZYGYWRYLO-ZSZQSSIHSA-N 2 2 318.461 3.186 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1OC ZINC000622004253 401335415 /nfs/dbraw/zinc/33/54/15/401335415.db2.gz MNTCAZYGYWRYLO-ZSZQSSIHSA-N 2 2 318.461 3.186 20 0 DGADLP Cc1cccc2[nH+]c(CN3CC[C@@H](C[NH3+])c4ccccc43)cn21 ZINC000634690171 401335451 /nfs/dbraw/zinc/33/54/51/401335451.db2.gz FTZMRTOMWHVYJR-HNNXBMFYSA-N 2 2 306.413 3.095 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000626087303 401296762 /nfs/dbraw/zinc/29/67/62/401296762.db2.gz JIBFRFMSXJQYOG-RMKNXTFCSA-N 2 2 314.473 3.277 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000635013729 401404440 /nfs/dbraw/zinc/40/44/40/401404440.db2.gz VMMXUHSDRLHJPR-JMPLFQLZSA-N 2 2 309.369 3.329 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)Cn2cc[nH+]c2C(C)C)[nH+]1 ZINC000635703951 401475136 /nfs/dbraw/zinc/47/51/36/401475136.db2.gz BYWBIFRYRMMNMT-UHFFFAOYSA-N 2 2 323.400 3.344 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195060 401422991 /nfs/dbraw/zinc/42/29/91/401422991.db2.gz AZOGGQIXQYVQAI-DOTOQJQBSA-N 2 2 313.445 3.095 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195060 401422993 /nfs/dbraw/zinc/42/29/93/401422993.db2.gz AZOGGQIXQYVQAI-DOTOQJQBSA-N 2 2 313.445 3.095 20 0 DGADLP CC(C)C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)n1cc[nH+]c1 ZINC000635348952 401432499 /nfs/dbraw/zinc/43/24/99/401432499.db2.gz VPLYZVZOFCWCGW-KRWDZBQOSA-N 2 2 323.400 3.295 20 0 DGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635494579 401448616 /nfs/dbraw/zinc/44/86/16/401448616.db2.gz JLJSXVKFFNHXNU-MRXNPFEDSA-N 2 2 310.401 3.032 20 0 DGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635494579 401448617 /nfs/dbraw/zinc/44/86/17/401448617.db2.gz JLJSXVKFFNHXNU-MRXNPFEDSA-N 2 2 310.401 3.032 20 0 DGADLP C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000635552666 401453559 /nfs/dbraw/zinc/45/35/59/401453559.db2.gz UADHHRVAXALZTB-CQSZACIVSA-N 2 2 311.385 3.154 20 0 DGADLP C[N@H+]1CC[C@H](CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000635552666 401453561 /nfs/dbraw/zinc/45/35/61/401453561.db2.gz UADHHRVAXALZTB-CQSZACIVSA-N 2 2 311.385 3.154 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cscc2Cl)CC1 ZINC000623089297 401462690 /nfs/dbraw/zinc/46/26/90/401462690.db2.gz AVYFKFZPMHOQNP-UHFFFAOYSA-N 2 2 308.825 3.468 20 0 DGADLP Fc1cc(F)cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623089520 401463581 /nfs/dbraw/zinc/46/35/81/401463581.db2.gz KXVCYSLECFGFQZ-UHFFFAOYSA-N 2 2 304.331 3.032 20 0 DGADLP CC(C)c1cnc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)s1 ZINC000623089435 401463880 /nfs/dbraw/zinc/46/38/80/401463880.db2.gz HGDCARHVGGTZHR-UHFFFAOYSA-N 2 2 317.449 3.333 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1OC ZINC000631567279 401499945 /nfs/dbraw/zinc/49/99/45/401499945.db2.gz XLDJYBWSSOITIE-UKRRQHHQSA-N 2 2 303.406 3.030 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC)c1OC ZINC000631570536 401501311 /nfs/dbraw/zinc/50/13/11/401501311.db2.gz RHKUNVZXHSKSKB-GVDBMIGSSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(OC)c1OC ZINC000631570536 401501314 /nfs/dbraw/zinc/50/13/14/401501314.db2.gz RHKUNVZXHSKSKB-GVDBMIGSSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC)c1OC ZINC000631570535 401501668 /nfs/dbraw/zinc/50/16/68/401501668.db2.gz RHKUNVZXHSKSKB-BBWFWOEESA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(OC)c1OC ZINC000631570535 401501670 /nfs/dbraw/zinc/50/16/70/401501670.db2.gz RHKUNVZXHSKSKB-BBWFWOEESA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403295 401508974 /nfs/dbraw/zinc/50/89/74/401508974.db2.gz QYBDCMXTTILZIA-MAUKXSAKSA-N 2 2 320.440 3.488 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403295 401508975 /nfs/dbraw/zinc/50/89/75/401508975.db2.gz QYBDCMXTTILZIA-MAUKXSAKSA-N 2 2 320.440 3.488 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649427 401524044 /nfs/dbraw/zinc/52/40/44/401524044.db2.gz WRBRWFXKJUHXEE-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)c2OC)C1 ZINC000631649427 401524046 /nfs/dbraw/zinc/52/40/46/401524046.db2.gz WRBRWFXKJUHXEE-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000631654738 401525702 /nfs/dbraw/zinc/52/57/02/401525702.db2.gz GRHYYTAICGSGIX-IAOQFVPISA-N 2 2 322.399 3.010 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000631654738 401525705 /nfs/dbraw/zinc/52/57/05/401525705.db2.gz GRHYYTAICGSGIX-IAOQFVPISA-N 2 2 322.399 3.010 20 0 DGADLP CC(C)n1cc[nH+]c1CN1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000623283633 401485338 /nfs/dbraw/zinc/48/53/38/401485338.db2.gz ANPKPWAXVMBSKP-KRWDZBQOSA-N 2 2 312.461 3.347 20 0 DGADLP CN(C)c1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc(F)c1F ZINC000628273272 401565265 /nfs/dbraw/zinc/56/52/65/401565265.db2.gz NTZWYVUJLLUMCN-YIONKMFJSA-N 2 2 323.431 3.088 20 0 DGADLP CN(C)c1c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc(F)c1F ZINC000628273272 401565268 /nfs/dbraw/zinc/56/52/68/401565268.db2.gz NTZWYVUJLLUMCN-YIONKMFJSA-N 2 2 323.431 3.088 20 0 DGADLP CN(C)c1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc(F)c1F ZINC000628273272 401565270 /nfs/dbraw/zinc/56/52/70/401565270.db2.gz NTZWYVUJLLUMCN-YIONKMFJSA-N 2 2 323.431 3.088 20 0 DGADLP CN(C)c1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc(F)c1F ZINC000628273272 401565274 /nfs/dbraw/zinc/56/52/74/401565274.db2.gz NTZWYVUJLLUMCN-YIONKMFJSA-N 2 2 323.431 3.088 20 0 DGADLP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000623809186 401582123 /nfs/dbraw/zinc/58/21/23/401582123.db2.gz VEINNHSHRHMXPW-QAQDUYKDSA-N 2 2 308.853 3.071 20 0 DGADLP Fc1ccc([C@H]2CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1F ZINC000628394117 401589220 /nfs/dbraw/zinc/58/92/20/401589220.db2.gz SDBYHUVHYAPNEK-AWEZNQCLSA-N 2 2 317.383 3.487 20 0 DGADLP Fc1ccc([C@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1F ZINC000628394117 401589221 /nfs/dbraw/zinc/58/92/21/401589221.db2.gz SDBYHUVHYAPNEK-AWEZNQCLSA-N 2 2 317.383 3.487 20 0 DGADLP Cc1c[nH]c(CN2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)[nH+]1 ZINC000628422295 401594306 /nfs/dbraw/zinc/59/43/06/401594306.db2.gz WCYOWSMQXCUUGC-GOSISDBHSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1c[nH]c(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)[nH+]1 ZINC000628422295 401594307 /nfs/dbraw/zinc/59/43/07/401594307.db2.gz WCYOWSMQXCUUGC-GOSISDBHSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH+]1 ZINC000628169326 401541266 /nfs/dbraw/zinc/54/12/66/401541266.db2.gz ZNJUIYOQJYTAGW-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1c[nH]c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH+]1 ZINC000628169326 401541269 /nfs/dbraw/zinc/54/12/69/401541269.db2.gz ZNJUIYOQJYTAGW-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229529 401554372 /nfs/dbraw/zinc/55/43/72/401554372.db2.gz YMAGAUHQBVCZCR-LRDDRELGSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229529 401554374 /nfs/dbraw/zinc/55/43/74/401554374.db2.gz YMAGAUHQBVCZCR-LRDDRELGSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@@H]1CC[N@H+](CC[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628233792 401556047 /nfs/dbraw/zinc/55/60/47/401556047.db2.gz VGEGSRASAWSTJW-CYBMUJFWSA-N 2 2 300.368 3.179 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+]CCc2cccc(C(F)(F)F)c2)C1 ZINC000628233792 401556051 /nfs/dbraw/zinc/55/60/51/401556051.db2.gz VGEGSRASAWSTJW-CYBMUJFWSA-N 2 2 300.368 3.179 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC ZINC000623633825 401559239 /nfs/dbraw/zinc/55/92/39/401559239.db2.gz FWLDPFCJQUJINC-GOEBONIOSA-N 2 2 306.450 3.056 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC ZINC000623633825 401559241 /nfs/dbraw/zinc/55/92/41/401559241.db2.gz FWLDPFCJQUJINC-GOEBONIOSA-N 2 2 306.450 3.056 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000624256223 401644406 /nfs/dbraw/zinc/64/44/06/401644406.db2.gz HIJSEMONUHJZBP-IBGZPJMESA-N 2 2 314.473 3.251 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358485114 286074470 /nfs/dbraw/zinc/07/44/70/286074470.db2.gz SQSRSFBEHZOCDK-HUUCEWRRSA-N 2 2 312.461 3.306 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358485114 286074471 /nfs/dbraw/zinc/07/44/71/286074471.db2.gz SQSRSFBEHZOCDK-HUUCEWRRSA-N 2 2 312.461 3.306 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000427886756 296632315 /nfs/dbraw/zinc/63/23/15/296632315.db2.gz QLWMKQNIWASQLG-ZBFHGGJFSA-N 2 2 309.413 3.234 20 0 DGADLP CC1(C)C(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1(C)C ZINC000358847738 286168621 /nfs/dbraw/zinc/16/86/21/286168621.db2.gz NWLNFOGSUFRQPP-UHFFFAOYSA-N 2 2 322.416 3.305 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263851 286271503 /nfs/dbraw/zinc/27/15/03/286271503.db2.gz OORSKOXQXYPPPE-RHSMWYFYSA-N 2 2 317.433 3.304 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359263851 286271504 /nfs/dbraw/zinc/27/15/04/286271504.db2.gz OORSKOXQXYPPPE-RHSMWYFYSA-N 2 2 317.433 3.304 20 0 DGADLP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000359311766 286280734 /nfs/dbraw/zinc/28/07/34/286280734.db2.gz MZJYMCLHMOGFCZ-MRXNPFEDSA-N 2 2 324.472 3.354 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CSC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000449108205 292255793 /nfs/dbraw/zinc/25/57/93/292255793.db2.gz SPZNZGKMVYMPMA-NXHRZFHOSA-N 2 2 304.503 3.473 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2cnn(C)c2)[NH+]2CCCC2)cc1 ZINC000125005349 292256174 /nfs/dbraw/zinc/25/61/74/292256174.db2.gz BSHCYSXQEAZKPI-APWZRJJASA-N 2 2 312.461 3.216 20 0 DGADLP CCCN(CC[NH+](CC)CC)Cc1c(C)[nH+]c2ccccn21 ZINC000359574335 286339488 /nfs/dbraw/zinc/33/94/88/286339488.db2.gz BCBGUNOOIOCESD-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000359589595 286342635 /nfs/dbraw/zinc/34/26/35/286342635.db2.gz NBIVJYJKBIYDKV-OAQYLSRUSA-N 2 2 321.468 3.193 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cn1 ZINC000359640507 286352198 /nfs/dbraw/zinc/35/21/98/286352198.db2.gz PDLBSVWTIIEIMF-LBPRGKRZSA-N 2 2 304.825 3.161 20 0 DGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000359680957 286359867 /nfs/dbraw/zinc/35/98/67/286359867.db2.gz RRCGNTLHEDWEQW-DAYGRLMNSA-N 2 2 308.441 3.366 20 0 DGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000359680957 286359868 /nfs/dbraw/zinc/35/98/68/286359868.db2.gz RRCGNTLHEDWEQW-DAYGRLMNSA-N 2 2 308.441 3.366 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000359687884 286361305 /nfs/dbraw/zinc/36/13/05/286361305.db2.gz OVAILLXLNZKFHU-CQSZACIVSA-N 2 2 304.482 3.008 20 0 DGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359717191 286367031 /nfs/dbraw/zinc/36/70/31/286367031.db2.gz OBDKZMUIEJYGSK-MELADBBJSA-N 2 2 310.404 3.196 20 0 DGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359717191 286367034 /nfs/dbraw/zinc/36/70/34/286367034.db2.gz OBDKZMUIEJYGSK-MELADBBJSA-N 2 2 310.404 3.196 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)CC3 ZINC000493179715 292299859 /nfs/dbraw/zinc/29/98/59/292299859.db2.gz WIMNEIDGPYNWDK-PZPWOCDFSA-N 2 2 323.484 3.406 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)CC3 ZINC000493179715 292299860 /nfs/dbraw/zinc/29/98/60/292299860.db2.gz WIMNEIDGPYNWDK-PZPWOCDFSA-N 2 2 323.484 3.406 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000361247938 286634206 /nfs/dbraw/zinc/63/42/06/286634206.db2.gz AEBCJNAMLBJTBE-AWEZNQCLSA-N 2 2 315.323 3.226 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000361232817 286629918 /nfs/dbraw/zinc/62/99/18/286629918.db2.gz PULXEMSWMYIIPN-BEFAXECRSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)(C)CC[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361430845 286672059 /nfs/dbraw/zinc/67/20/59/286672059.db2.gz BCMFQEZHFBMKKK-CQSZACIVSA-N 2 2 324.431 3.180 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000361877533 286737813 /nfs/dbraw/zinc/73/78/13/286737813.db2.gz ONVUQEMKKNNIDF-QFBILLFUSA-N 2 2 304.478 3.258 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000364117765 286989255 /nfs/dbraw/zinc/98/92/55/286989255.db2.gz DRKOGJXHIIIKJO-MRXNPFEDSA-N 2 2 316.493 3.480 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000343832278 287023939 /nfs/dbraw/zinc/02/39/39/287023939.db2.gz FQHBHRDZWSRPGS-SNVBAGLBSA-N 2 2 307.385 3.298 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000364736285 287056411 /nfs/dbraw/zinc/05/64/11/287056411.db2.gz GTQWKDDGFLMBLL-HKUYNNGSSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000364736285 287056413 /nfs/dbraw/zinc/05/64/13/287056413.db2.gz GTQWKDDGFLMBLL-HKUYNNGSSA-N 2 2 324.472 3.348 20 0 DGADLP c1cn(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)c[nH+]1 ZINC000190980771 165223156 /nfs/dbraw/zinc/22/31/56/165223156.db2.gz POBHEIYPCHVOMA-QGZVFWFLSA-N 2 2 303.450 3.402 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000192120390 165283460 /nfs/dbraw/zinc/28/34/60/165283460.db2.gz VZYBQSFJSPWSAH-QGZVFWFLSA-N 2 2 301.434 3.020 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000192120390 165283464 /nfs/dbraw/zinc/28/34/64/165283464.db2.gz VZYBQSFJSPWSAH-QGZVFWFLSA-N 2 2 301.434 3.020 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000192167803 165285562 /nfs/dbraw/zinc/28/55/62/165285562.db2.gz RWDFEYWZZTXYLP-HKUYNNGSSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000192167803 165285567 /nfs/dbraw/zinc/28/55/67/165285567.db2.gz RWDFEYWZZTXYLP-HKUYNNGSSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000192959305 165312876 /nfs/dbraw/zinc/31/28/76/165312876.db2.gz ZNMMFKIGUXDNPX-GOSISDBHSA-N 2 2 310.445 3.336 20 0 DGADLP Cc1nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000192959305 165312882 /nfs/dbraw/zinc/31/28/82/165312882.db2.gz ZNMMFKIGUXDNPX-GOSISDBHSA-N 2 2 310.445 3.336 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000193560011 165328861 /nfs/dbraw/zinc/32/88/61/165328861.db2.gz WWWNHSUXSKEKQC-MAZHCROVSA-N 2 2 303.450 3.038 20 0 DGADLP COc1cccc(CCC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365618353 287154075 /nfs/dbraw/zinc/15/40/75/287154075.db2.gz AJZMHENPMHXCKX-QGZVFWFLSA-N 2 2 313.445 3.241 20 0 DGADLP COc1cccc(CCC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365618353 287154078 /nfs/dbraw/zinc/15/40/78/287154078.db2.gz AJZMHENPMHXCKX-QGZVFWFLSA-N 2 2 313.445 3.241 20 0 DGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365676916 287161656 /nfs/dbraw/zinc/16/16/56/287161656.db2.gz KNCKJAUWNQRLSE-UKRRQHHQSA-N 2 2 309.369 3.437 20 0 DGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365676916 287161660 /nfs/dbraw/zinc/16/16/60/287161660.db2.gz KNCKJAUWNQRLSE-UKRRQHHQSA-N 2 2 309.369 3.437 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000136299458 432151708 /nfs/dbraw/zinc/15/17/08/432151708.db2.gz RJNWIIJLJOKFMU-UHFFFAOYSA-N 2 2 316.430 3.430 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000246715616 432157893 /nfs/dbraw/zinc/15/78/93/432157893.db2.gz FYSQEPKHHKHTRP-HOTGVXAUSA-N 2 2 320.481 3.149 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000246715616 432157896 /nfs/dbraw/zinc/15/78/96/432157896.db2.gz FYSQEPKHHKHTRP-HOTGVXAUSA-N 2 2 320.481 3.149 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](C)[C@H]3C)c2cc1C ZINC000246726309 432158986 /nfs/dbraw/zinc/15/89/86/432158986.db2.gz LXTGMLBMJIWFLD-IAOVAPTHSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](C)[C@H]3C)c2cc1C ZINC000246726309 432158989 /nfs/dbraw/zinc/15/89/89/432158989.db2.gz LXTGMLBMJIWFLD-IAOVAPTHSA-N 2 2 315.461 3.134 20 0 DGADLP COC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182236416 432169279 /nfs/dbraw/zinc/16/92/79/432169279.db2.gz SCCUCAVEZKDXQK-QGZVFWFLSA-N 2 2 312.404 3.118 20 0 DGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246953503 432185473 /nfs/dbraw/zinc/18/54/73/432185473.db2.gz URYHPRQXEDUUFI-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246953503 432185475 /nfs/dbraw/zinc/18/54/75/432185475.db2.gz URYHPRQXEDUUFI-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246953503 432185479 /nfs/dbraw/zinc/18/54/79/432185479.db2.gz URYHPRQXEDUUFI-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246953503 432185481 /nfs/dbraw/zinc/18/54/81/432185481.db2.gz URYHPRQXEDUUFI-UGSOOPFHSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1sccc1Br ZINC000147960757 432185879 /nfs/dbraw/zinc/18/58/79/432185879.db2.gz UHADLUATXQWSFW-SCVCMEIPSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1sccc1Br ZINC000147960757 432185885 /nfs/dbraw/zinc/18/58/85/432185885.db2.gz UHADLUATXQWSFW-SCVCMEIPSA-N 2 2 317.296 3.329 20 0 DGADLP c1nc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)oc1-c1ccccc1 ZINC000150826601 432194317 /nfs/dbraw/zinc/19/43/17/432194317.db2.gz IVBKFURHYWXNNL-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP c1nc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)oc1-c1ccccc1 ZINC000150826601 432194318 /nfs/dbraw/zinc/19/43/18/432194318.db2.gz IVBKFURHYWXNNL-MRXNPFEDSA-N 2 2 311.429 3.259 20 0 DGADLP C[C@H]1CC[N@H+](CCCOCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182550260 432202472 /nfs/dbraw/zinc/20/24/72/432202472.db2.gz UPEIJXCIJGDLQF-HKUYNNGSSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182550260 432202475 /nfs/dbraw/zinc/20/24/75/432202475.db2.gz UPEIJXCIJGDLQF-HKUYNNGSSA-N 2 2 313.445 3.373 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000150913247 432202342 /nfs/dbraw/zinc/20/23/42/432202342.db2.gz WHYNRSSOJRZPLZ-HOCLYGCPSA-N 2 2 308.491 3.290 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC3CCSCC3)C2)cc1 ZINC000131157950 196144535 /nfs/dbraw/zinc/14/45/35/196144535.db2.gz HGHODMZJURDDNQ-GOSISDBHSA-N 2 2 304.503 3.384 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CCSCC3)C2)cc1 ZINC000131157950 196144537 /nfs/dbraw/zinc/14/45/37/196144537.db2.gz HGHODMZJURDDNQ-GOSISDBHSA-N 2 2 304.503 3.384 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000247183531 432208968 /nfs/dbraw/zinc/20/89/68/432208968.db2.gz VJFLYDSXHBRPOG-YZGWKJHDSA-N 2 2 316.489 3.474 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000247119587 432204188 /nfs/dbraw/zinc/20/41/88/432204188.db2.gz JNASXRARKKJIMY-OCCSQVGLSA-N 2 2 315.421 3.104 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000247119587 432204190 /nfs/dbraw/zinc/20/41/90/432204190.db2.gz JNASXRARKKJIMY-OCCSQVGLSA-N 2 2 315.421 3.104 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1OC(F)F ZINC000151154677 432225215 /nfs/dbraw/zinc/22/52/15/432225215.db2.gz JJYIDAKTTIVZAZ-LLVKDONJSA-N 2 2 313.323 3.365 20 0 DGADLP CCOCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000131518157 196176588 /nfs/dbraw/zinc/17/65/88/196176588.db2.gz AFXVJSLGSZNFMM-UHFFFAOYSA-N 2 2 310.869 3.321 20 0 DGADLP C[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)C[NH+]1CCOCC1 ZINC000182673455 432217481 /nfs/dbraw/zinc/21/74/81/432217481.db2.gz CXOXODLXYWSTFN-INIZCTEOSA-N 2 2 322.452 3.314 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000247315484 432221511 /nfs/dbraw/zinc/22/15/11/432221511.db2.gz FWWRXNIPTLIKCQ-HZSPNIEDSA-N 2 2 303.410 3.034 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000247315484 432221513 /nfs/dbraw/zinc/22/15/13/432221513.db2.gz FWWRXNIPTLIKCQ-HZSPNIEDSA-N 2 2 303.410 3.034 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@@H+]1C ZINC000132307033 196244563 /nfs/dbraw/zinc/24/45/63/196244563.db2.gz OOGIRNFBNIXMKO-RDJZCZTQSA-N 2 2 317.477 3.365 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC[N@H+]1C ZINC000132307033 196244565 /nfs/dbraw/zinc/24/45/65/196244565.db2.gz OOGIRNFBNIXMKO-RDJZCZTQSA-N 2 2 317.477 3.365 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1sccc1Br ZINC000133295090 196328660 /nfs/dbraw/zinc/32/86/60/196328660.db2.gz WBPLCIHRCOCSDL-LLVKDONJSA-N 2 2 305.285 3.316 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1sccc1Br ZINC000133295090 196328661 /nfs/dbraw/zinc/32/86/61/196328661.db2.gz WBPLCIHRCOCSDL-LLVKDONJSA-N 2 2 305.285 3.316 20 0 DGADLP Cc1ccc(C)c(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000299536313 533681248 /nfs/dbraw/zinc/68/12/48/533681248.db2.gz HZWFGKTUSUEENJ-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(C)c(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000299536313 533681257 /nfs/dbraw/zinc/68/12/57/533681257.db2.gz HZWFGKTUSUEENJ-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@@H]1CSC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295576133 225004999 /nfs/dbraw/zinc/00/49/99/225004999.db2.gz BDEVVLMCJMGULF-BXUZGUMPSA-N 2 2 307.850 3.367 20 0 DGADLP Clc1nccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1Cl ZINC000290888803 221997456 /nfs/dbraw/zinc/99/74/56/221997456.db2.gz MUAGWIUWJZOLBQ-UHFFFAOYSA-N 2 2 314.260 3.352 20 0 DGADLP Cc1cc(CNc2[nH]c3ccccc3[nH+]2)cc(N2CCCC2)[nH+]1 ZINC000291086400 222125938 /nfs/dbraw/zinc/12/59/38/222125938.db2.gz IUNVPMCCJOMHAN-UHFFFAOYSA-N 2 2 307.401 3.479 20 0 DGADLP C[C@@H](C[NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000188016527 263686563 /nfs/dbraw/zinc/68/65/63/263686563.db2.gz HAIORKRFLNSAIX-GJZGRUSLSA-N 2 2 310.869 3.001 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2)[NH+](C)C ZINC000236640176 263846417 /nfs/dbraw/zinc/84/64/17/263846417.db2.gz UEORSFNTCUQJKC-NVXWUHKLSA-N 2 2 320.477 3.302 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346316956 264009907 /nfs/dbraw/zinc/00/99/07/264009907.db2.gz VARHWXAYYXQDQK-SFHVURJKSA-N 2 2 310.376 3.105 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CCC2)cc1 ZINC000346371438 264020358 /nfs/dbraw/zinc/02/03/58/264020358.db2.gz UHYGTBFHOUNVFB-KXBFYZLASA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)CCC2)cc1 ZINC000346371438 264020359 /nfs/dbraw/zinc/02/03/59/264020359.db2.gz UHYGTBFHOUNVFB-KXBFYZLASA-N 2 2 314.473 3.189 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447093 264033674 /nfs/dbraw/zinc/03/36/74/264033674.db2.gz ANTNCOYBUFIEBJ-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447093 264033677 /nfs/dbraw/zinc/03/36/77/264033677.db2.gz ANTNCOYBUFIEBJ-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000346671593 264077661 /nfs/dbraw/zinc/07/76/61/264077661.db2.gz KADBFBSSZFSKFZ-ZDUSSCGKSA-N 2 2 308.857 3.032 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000346671593 264077664 /nfs/dbraw/zinc/07/76/64/264077664.db2.gz KADBFBSSZFSKFZ-ZDUSSCGKSA-N 2 2 308.857 3.032 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000346690630 264080497 /nfs/dbraw/zinc/08/04/97/264080497.db2.gz UHUBWDCAGGXTMY-KRWDZBQOSA-N 2 2 307.457 3.231 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000346690630 264080498 /nfs/dbraw/zinc/08/04/98/264080498.db2.gz UHUBWDCAGGXTMY-KRWDZBQOSA-N 2 2 307.457 3.231 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822942 264104000 /nfs/dbraw/zinc/10/40/00/264104000.db2.gz JZMXJKBWFWYDSW-KBXCAEBGSA-N 2 2 313.445 3.259 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)o1 ZINC000346822942 264104001 /nfs/dbraw/zinc/10/40/01/264104001.db2.gz JZMXJKBWFWYDSW-KBXCAEBGSA-N 2 2 313.445 3.259 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)cs2)[C@H](C[NH3+])C1 ZINC000346826694 264104744 /nfs/dbraw/zinc/10/47/44/264104744.db2.gz MBKHIHWFHINVCQ-IRXDYDNUSA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)[C@H](C[NH3+])C1 ZINC000346826694 264104746 /nfs/dbraw/zinc/10/47/46/264104746.db2.gz MBKHIHWFHINVCQ-IRXDYDNUSA-N 2 2 316.470 3.353 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]12 ZINC000346852203 264109041 /nfs/dbraw/zinc/10/90/41/264109041.db2.gz KDKLWOSXZQGJOC-LJWDBELGSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]12 ZINC000346852203 264109043 /nfs/dbraw/zinc/10/90/43/264109043.db2.gz KDKLWOSXZQGJOC-LJWDBELGSA-N 2 2 302.315 3.014 20 0 DGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000347000426 264137090 /nfs/dbraw/zinc/13/70/90/264137090.db2.gz GKYHPPBURWCZFA-SECBINFHSA-N 2 2 307.385 3.079 20 0 DGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000347000426 264137089 /nfs/dbraw/zinc/13/70/89/264137089.db2.gz GKYHPPBURWCZFA-SECBINFHSA-N 2 2 307.385 3.079 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003416 264137489 /nfs/dbraw/zinc/13/74/89/264137489.db2.gz LFIPASVVHJSIKD-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003416 264137491 /nfs/dbraw/zinc/13/74/91/264137491.db2.gz LFIPASVVHJSIKD-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347071496 264151944 /nfs/dbraw/zinc/15/19/44/264151944.db2.gz BVBFZSRWIBHLHK-RTBURBONSA-N 2 2 312.413 3.313 20 0 DGADLP COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347071496 264151947 /nfs/dbraw/zinc/15/19/47/264151947.db2.gz BVBFZSRWIBHLHK-RTBURBONSA-N 2 2 312.413 3.313 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000347097330 264155466 /nfs/dbraw/zinc/15/54/66/264155466.db2.gz IFBSEQYJJSAGAI-JOYOIKCWSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000347097330 264155467 /nfs/dbraw/zinc/15/54/67/264155467.db2.gz IFBSEQYJJSAGAI-JOYOIKCWSA-N 2 2 304.768 3.111 20 0 DGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347142619 264164566 /nfs/dbraw/zinc/16/45/66/264164566.db2.gz WVAQHJZSBUSEFB-KRWDZBQOSA-N 2 2 311.429 3.496 20 0 DGADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347142619 264164567 /nfs/dbraw/zinc/16/45/67/264164567.db2.gz WVAQHJZSBUSEFB-KRWDZBQOSA-N 2 2 311.429 3.496 20 0 DGADLP CCCOc1cc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000347178334 264170496 /nfs/dbraw/zinc/17/04/96/264170496.db2.gz SOFVKHLSVGXQPM-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1cc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000347178334 264170498 /nfs/dbraw/zinc/17/04/98/264170498.db2.gz SOFVKHLSVGXQPM-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347481250 264227872 /nfs/dbraw/zinc/22/78/72/264227872.db2.gz UMMNLJXRVODHAF-QZTJIDSGSA-N 2 2 313.445 3.451 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347481250 264227874 /nfs/dbraw/zinc/22/78/74/264227874.db2.gz UMMNLJXRVODHAF-QZTJIDSGSA-N 2 2 313.445 3.451 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000347579218 264244912 /nfs/dbraw/zinc/24/49/12/264244912.db2.gz FJOPSDXLLHITFP-UHFFFAOYSA-N 2 2 311.429 3.261 20 0 DGADLP Cc1ccc([C@@H]2CSCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347739789 264276573 /nfs/dbraw/zinc/27/65/73/264276573.db2.gz UDRYEUAGBULJNW-KRWDZBQOSA-N 2 2 301.459 3.061 20 0 DGADLP Cc1ccc([C@@H]2CSCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347739789 264276576 /nfs/dbraw/zinc/27/65/76/264276576.db2.gz UDRYEUAGBULJNW-KRWDZBQOSA-N 2 2 301.459 3.061 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000347787281 264285946 /nfs/dbraw/zinc/28/59/46/264285946.db2.gz RUYHBKJSBDZGFK-MRXNPFEDSA-N 2 2 304.434 3.129 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000347787281 264285948 /nfs/dbraw/zinc/28/59/48/264285948.db2.gz RUYHBKJSBDZGFK-MRXNPFEDSA-N 2 2 304.434 3.129 20 0 DGADLP C[C@@H](C[N@H+](C)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000347822832 264290052 /nfs/dbraw/zinc/29/00/52/264290052.db2.gz UPWIMVPTVTZBMG-AWEZNQCLSA-N 2 2 303.475 3.440 20 0 DGADLP C[C@@H](C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000347822832 264290054 /nfs/dbraw/zinc/29/00/54/264290054.db2.gz UPWIMVPTVTZBMG-AWEZNQCLSA-N 2 2 303.475 3.440 20 0 DGADLP CC(C)[N@H+](CCc1nccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000347860577 264296734 /nfs/dbraw/zinc/29/67/34/264296734.db2.gz HJSSVKLQEJBJLC-UHFFFAOYSA-N 2 2 324.519 3.114 20 0 DGADLP CC(C)[N@@H+](CCc1nccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000347860577 264296735 /nfs/dbraw/zinc/29/67/35/264296735.db2.gz HJSSVKLQEJBJLC-UHFFFAOYSA-N 2 2 324.519 3.114 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000347988112 264319639 /nfs/dbraw/zinc/31/96/39/264319639.db2.gz DFDRZVWVZLBNTO-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCc1nc(C(C)C)no1 ZINC000348051618 264329210 /nfs/dbraw/zinc/32/92/10/264329210.db2.gz YHHDHVXFDVKADH-UHFFFAOYSA-N 2 2 302.422 3.051 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000348086042 264336504 /nfs/dbraw/zinc/33/65/04/264336504.db2.gz NRZHFVKOOASJPH-LJQANCHMSA-N 3 2 301.478 3.177 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000348086042 264336506 /nfs/dbraw/zinc/33/65/06/264336506.db2.gz NRZHFVKOOASJPH-LJQANCHMSA-N 3 2 301.478 3.177 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000348089682 264337423 /nfs/dbraw/zinc/33/74/23/264337423.db2.gz UIUMQJIXFGDGHT-HNNXBMFYSA-N 2 2 316.848 3.488 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1F ZINC000348099623 264339911 /nfs/dbraw/zinc/33/99/11/264339911.db2.gz CCGJGAKTOGEIIU-HUBLWGQQSA-N 2 2 314.832 3.239 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1F ZINC000348099623 264339913 /nfs/dbraw/zinc/33/99/13/264339913.db2.gz CCGJGAKTOGEIIU-HUBLWGQQSA-N 2 2 314.832 3.239 20 0 DGADLP COc1ccsc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348183372 264359724 /nfs/dbraw/zinc/35/97/24/264359724.db2.gz BHAFXLHMXJRBFD-UHFFFAOYSA-N 2 2 313.426 3.291 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000348213316 264366115 /nfs/dbraw/zinc/36/61/15/264366115.db2.gz IOSWQFGYFFRTGV-NXHRZFHOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000348213316 264366117 /nfs/dbraw/zinc/36/61/17/264366117.db2.gz IOSWQFGYFFRTGV-NXHRZFHOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253695 264375630 /nfs/dbraw/zinc/37/56/30/264375630.db2.gz LGBXGSUCLLPBTB-CJNGLKHVSA-N 2 2 316.474 3.183 20 0 DGADLP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348253695 264375632 /nfs/dbraw/zinc/37/56/32/264375632.db2.gz LGBXGSUCLLPBTB-CJNGLKHVSA-N 2 2 316.474 3.183 20 0 DGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348323058 264389608 /nfs/dbraw/zinc/38/96/08/264389608.db2.gz CWJVCQIBTXPTJN-MNOVXSKESA-N 2 2 317.246 3.059 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330626 264391922 /nfs/dbraw/zinc/39/19/22/264391922.db2.gz TUNJBKQAVZQGHB-YMTOWFKASA-N 2 2 322.321 3.413 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000348330626 264391923 /nfs/dbraw/zinc/39/19/23/264391923.db2.gz TUNJBKQAVZQGHB-YMTOWFKASA-N 2 2 322.321 3.413 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000348333908 264392399 /nfs/dbraw/zinc/39/23/99/264392399.db2.gz CQFZDDFZUMKWRK-MRXNPFEDSA-N 2 2 322.811 3.438 20 0 DGADLP CC(C)(CO)[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000348413957 264404378 /nfs/dbraw/zinc/40/43/78/264404378.db2.gz WVAJOMFTUGDZJQ-SFHVURJKSA-N 2 2 309.413 3.184 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C(F)(F)F)s1 ZINC000349410973 264519486 /nfs/dbraw/zinc/51/94/86/264519486.db2.gz VOJDBSQEPGLOEN-UHFFFAOYSA-N 2 2 309.401 3.326 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C(F)(F)F)s1 ZINC000349410973 264519489 /nfs/dbraw/zinc/51/94/89/264519489.db2.gz VOJDBSQEPGLOEN-UHFFFAOYSA-N 2 2 309.401 3.326 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000352260924 264985435 /nfs/dbraw/zinc/98/54/35/264985435.db2.gz GMUWPUMFHBWRLG-LPPOOGIUSA-N 2 2 313.445 3.359 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000352424190 265044611 /nfs/dbraw/zinc/04/46/11/265044611.db2.gz QZNKZBOUSXKUGC-UHFFFAOYSA-N 2 2 314.473 3.418 20 0 DGADLP COc1ccc2c(c1)C1(CC1)C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000352424190 265044613 /nfs/dbraw/zinc/04/46/13/265044613.db2.gz QZNKZBOUSXKUGC-UHFFFAOYSA-N 2 2 314.473 3.418 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000352534304 265082013 /nfs/dbraw/zinc/08/20/13/265082013.db2.gz FHJHRBSGJSSKJE-IBGZPJMESA-N 2 2 316.493 3.043 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000352534304 265082015 /nfs/dbraw/zinc/08/20/15/265082015.db2.gz FHJHRBSGJSSKJE-IBGZPJMESA-N 2 2 316.493 3.043 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352546594 265084434 /nfs/dbraw/zinc/08/44/34/265084434.db2.gz XQNLATMKTGDUDP-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352546594 265084435 /nfs/dbraw/zinc/08/44/35/265084435.db2.gz XQNLATMKTGDUDP-KRWDZBQOSA-N 2 2 308.853 3.314 20 0 DGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352701627 265133997 /nfs/dbraw/zinc/13/39/97/265133997.db2.gz LUKHNFVVBDREMS-DAYGRLMNSA-N 2 2 308.441 3.366 20 0 DGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000352701627 265133999 /nfs/dbraw/zinc/13/39/99/265133999.db2.gz LUKHNFVVBDREMS-DAYGRLMNSA-N 2 2 308.441 3.366 20 0 DGADLP CCc1cnccc1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352730300 265143797 /nfs/dbraw/zinc/14/37/97/265143797.db2.gz CDEWBHLVPQEPFU-LBPRGKRZSA-N 2 2 304.463 3.013 20 0 DGADLP Cc1ccc(O[C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352751710 265152705 /nfs/dbraw/zinc/15/27/05/265152705.db2.gz WGMIXCAUBZFPBX-AWEZNQCLSA-N 2 2 319.474 3.070 20 0 DGADLP Cc1cccc(O[C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352762175 265155611 /nfs/dbraw/zinc/15/56/11/265155611.db2.gz DDHSIXKDQSWDAS-CQSZACIVSA-N 2 2 319.474 3.070 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cn1 ZINC000352795093 265171275 /nfs/dbraw/zinc/17/12/75/265171275.db2.gz JGLAZNXWIXCTNA-HIFRSBDPSA-N 2 2 302.397 3.344 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[NH+]1CCCC1 ZINC000352841713 265193366 /nfs/dbraw/zinc/19/33/66/265193366.db2.gz SEQILSUCOUBLJZ-WYMLVPIESA-N 2 2 310.388 3.377 20 0 DGADLP CSc1cccc(F)c1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000352902842 265223521 /nfs/dbraw/zinc/22/35/21/265223521.db2.gz OOMZEMBUQSMBJE-UHFFFAOYSA-N 2 2 305.422 3.298 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000352976465 265253237 /nfs/dbraw/zinc/25/32/37/265253237.db2.gz KPYKTMWRXLTNLH-OTMARIDSSA-N 2 2 311.429 3.037 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000352976464 265253699 /nfs/dbraw/zinc/25/36/99/265253699.db2.gz KPYKTMWRXLTNLH-HAZIXKIPSA-N 2 2 311.429 3.037 20 0 DGADLP CCC[N@@H+]1CCC[C@H]1CNCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353114553 265301294 /nfs/dbraw/zinc/30/12/94/265301294.db2.gz CEQXBZOLEHDJKP-SFHVURJKSA-N 2 2 312.461 3.145 20 0 DGADLP CCC[N@H+]1CCC[C@H]1CNCc1c[nH+]c(C)n1-c1ccccc1 ZINC000353114553 265301298 /nfs/dbraw/zinc/30/12/98/265301298.db2.gz CEQXBZOLEHDJKP-SFHVURJKSA-N 2 2 312.461 3.145 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000353123889 265306133 /nfs/dbraw/zinc/30/61/33/265306133.db2.gz IZQLHUWPTDIBPW-UHFFFAOYSA-N 2 2 301.409 3.336 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000353128564 265308979 /nfs/dbraw/zinc/30/89/79/265308979.db2.gz ROXKDAFVYQMFHF-YZGWKJHDSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000353128564 265308985 /nfs/dbraw/zinc/30/89/85/265308985.db2.gz ROXKDAFVYQMFHF-YZGWKJHDSA-N 2 2 315.505 3.113 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1OC(C)C ZINC000353142313 265314610 /nfs/dbraw/zinc/31/46/10/265314610.db2.gz RYRCPLBFHWMQTQ-UHFFFAOYSA-N 2 2 320.477 3.445 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)Cc1cc(OC)cc(C)[nH+]1 ZINC000353169574 265327402 /nfs/dbraw/zinc/32/74/02/265327402.db2.gz PFOGLHJIQCHZFS-UHFFFAOYSA-N 2 2 305.466 3.097 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000353773603 265545159 /nfs/dbraw/zinc/54/51/59/265545159.db2.gz XDRRNTRLTNKPBF-UHFFFAOYSA-N 2 2 307.463 3.126 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448269 432230567 /nfs/dbraw/zinc/23/05/67/432230567.db2.gz YRNJGLNNCHLKJD-JKSUJKDBSA-N 2 2 308.491 3.213 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448269 432230570 /nfs/dbraw/zinc/23/05/70/432230570.db2.gz YRNJGLNNCHLKJD-JKSUJKDBSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448269 432230575 /nfs/dbraw/zinc/23/05/75/432230575.db2.gz YRNJGLNNCHLKJD-JKSUJKDBSA-N 2 2 308.491 3.213 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000247448269 432230577 /nfs/dbraw/zinc/23/05/77/432230577.db2.gz YRNJGLNNCHLKJD-JKSUJKDBSA-N 2 2 308.491 3.213 20 0 DGADLP CCc1cnc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000355212145 266000627 /nfs/dbraw/zinc/00/06/27/266000627.db2.gz DNSIYENJNBCZNY-INIZCTEOSA-N 2 2 315.486 3.317 20 0 DGADLP CCc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000355212145 266000629 /nfs/dbraw/zinc/00/06/29/266000629.db2.gz DNSIYENJNBCZNY-INIZCTEOSA-N 2 2 315.486 3.317 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000355358716 266050332 /nfs/dbraw/zinc/05/03/32/266050332.db2.gz AINIMROGIDYJOV-WMZOPIPTSA-N 2 2 319.493 3.127 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000355358716 266050335 /nfs/dbraw/zinc/05/03/35/266050335.db2.gz AINIMROGIDYJOV-WMZOPIPTSA-N 2 2 319.493 3.127 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000355553888 266113091 /nfs/dbraw/zinc/11/30/91/266113091.db2.gz IQIWXLPOEHRYQB-PKOBYXMFSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000355553888 266113095 /nfs/dbraw/zinc/11/30/95/266113095.db2.gz IQIWXLPOEHRYQB-PKOBYXMFSA-N 2 2 302.462 3.010 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000355773514 266178448 /nfs/dbraw/zinc/17/84/48/266178448.db2.gz NFBRKDXPDCRQHM-RNIPGJKVSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000355773514 266178451 /nfs/dbraw/zinc/17/84/51/266178451.db2.gz NFBRKDXPDCRQHM-RNIPGJKVSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356318608 266353444 /nfs/dbraw/zinc/35/34/44/266353444.db2.gz MGZMMTGORYSHBK-UHFFFAOYSA-N 2 2 316.367 3.329 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356318608 266353449 /nfs/dbraw/zinc/35/34/49/266353449.db2.gz MGZMMTGORYSHBK-UHFFFAOYSA-N 2 2 316.367 3.329 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191212796 432235440 /nfs/dbraw/zinc/23/54/40/432235440.db2.gz GPUFDKGPXCEUMV-LLVKDONJSA-N 2 2 302.871 3.163 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000270364693 432237303 /nfs/dbraw/zinc/23/73/03/432237303.db2.gz SHKXHVIQVHBZTH-OAHLLOKOSA-N 2 2 310.401 3.306 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000270364693 432237307 /nfs/dbraw/zinc/23/73/07/432237307.db2.gz SHKXHVIQVHBZTH-OAHLLOKOSA-N 2 2 310.401 3.306 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000359865434 271002907 /nfs/dbraw/zinc/00/29/07/271002907.db2.gz BGMCVGZVYDZJQZ-UHFFFAOYSA-N 3 2 306.498 3.026 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccoc1 ZINC000367590532 271047081 /nfs/dbraw/zinc/04/70/81/271047081.db2.gz UQAVQYGTOYYFFL-BZSNNMDCSA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccoc1 ZINC000367590532 271047086 /nfs/dbraw/zinc/04/70/86/271047086.db2.gz UQAVQYGTOYYFFL-BZSNNMDCSA-N 2 2 306.450 3.210 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000367697894 271066358 /nfs/dbraw/zinc/06/63/58/271066358.db2.gz DJTSXLRTWVBDLM-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000367697894 271066360 /nfs/dbraw/zinc/06/63/60/271066360.db2.gz DJTSXLRTWVBDLM-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000367697894 271066364 /nfs/dbraw/zinc/06/63/64/271066364.db2.gz DJTSXLRTWVBDLM-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000367697894 271066370 /nfs/dbraw/zinc/06/63/70/271066370.db2.gz DJTSXLRTWVBDLM-SJLPKXTDSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3ccc(O)cc31)CCC2 ZINC000367759707 271075108 /nfs/dbraw/zinc/07/51/08/271075108.db2.gz VOUIVUDUQILQED-YJBOKZPZSA-N 2 2 311.429 3.442 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368531171 271164937 /nfs/dbraw/zinc/16/49/37/271164937.db2.gz UATHSQKTTXACGU-IBGZPJMESA-N 2 2 313.445 3.293 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531171 271164943 /nfs/dbraw/zinc/16/49/43/271164943.db2.gz UATHSQKTTXACGU-IBGZPJMESA-N 2 2 313.445 3.293 20 0 DGADLP Cc1cccn2c(C[NH2+]CC3(c4ccccn4)CCC3)c[nH+]c12 ZINC000370739243 271387085 /nfs/dbraw/zinc/38/70/85/271387085.db2.gz MVJVCHIAAKKIHA-UHFFFAOYSA-N 2 2 306.413 3.249 20 0 DGADLP CC[C@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC[NH2+]C1 ZINC000370843109 271392653 /nfs/dbraw/zinc/39/26/53/271392653.db2.gz MGBSFBYWBPWFKE-SFHVURJKSA-N 2 2 311.385 3.202 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000247943334 432253878 /nfs/dbraw/zinc/25/38/78/432253878.db2.gz DEJOXYCBAZYJQV-KYHPRHEASA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000247943334 432253881 /nfs/dbraw/zinc/25/38/81/432253881.db2.gz DEJOXYCBAZYJQV-KYHPRHEASA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943334 432253883 /nfs/dbraw/zinc/25/38/83/432253883.db2.gz DEJOXYCBAZYJQV-KYHPRHEASA-N 3 2 321.534 3.203 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000247943334 432253886 /nfs/dbraw/zinc/25/38/86/432253886.db2.gz DEJOXYCBAZYJQV-KYHPRHEASA-N 3 2 321.534 3.203 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000270554802 432257874 /nfs/dbraw/zinc/25/78/74/432257874.db2.gz CMCQBAWBFOVSQU-UHFFFAOYSA-N 2 2 313.445 3.352 20 0 DGADLP COc1cc(F)cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000449165546 274095933 /nfs/dbraw/zinc/09/59/33/274095933.db2.gz AANDNCRVKQSXKI-CQSZACIVSA-N 2 2 303.381 3.006 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@@H]1C[NH3+] ZINC000422559469 274399463 /nfs/dbraw/zinc/39/94/63/274399463.db2.gz DDDAIYGMTQEZPU-AGIUHOORSA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@@H]1C[NH3+] ZINC000422559469 274399464 /nfs/dbraw/zinc/39/94/64/274399464.db2.gz DDDAIYGMTQEZPU-AGIUHOORSA-N 2 2 320.868 3.032 20 0 DGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000338011848 274478899 /nfs/dbraw/zinc/47/88/99/274478899.db2.gz JDVCYXZNMIEORJ-OLZOCXBDSA-N 2 2 305.372 3.087 20 0 DGADLP Cc1nc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301429161 274837528 /nfs/dbraw/zinc/83/75/28/274837528.db2.gz FMOWRYAVLMSKCQ-INIZCTEOSA-N 2 2 302.397 3.256 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2cc1Cl ZINC000420258413 274910128 /nfs/dbraw/zinc/91/01/28/274910128.db2.gz LBANNZCKVDIBNU-GHMZBOCLSA-N 2 2 305.784 3.073 20 0 DGADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423183252 275370776 /nfs/dbraw/zinc/37/07/76/275370776.db2.gz HMNZXZRNBDJJFA-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP Brc1cccc2c1CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000179976621 275373996 /nfs/dbraw/zinc/37/39/96/275373996.db2.gz KQFHLAGMHLDADA-HNNXBMFYSA-N 2 2 309.251 3.122 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000343034129 276253179 /nfs/dbraw/zinc/25/31/79/276253179.db2.gz MHRQJTOMJCPNBY-PXNSSMCTSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000343034129 276253180 /nfs/dbraw/zinc/25/31/80/276253180.db2.gz MHRQJTOMJCPNBY-PXNSSMCTSA-N 3 2 315.505 3.102 20 0 DGADLP COCCCNc1ccc(-c2ccc(CC[NH+](C)C)cc2)c[nH+]1 ZINC000629732217 429962007 /nfs/dbraw/zinc/96/20/07/429962007.db2.gz SGLBOGILKZEWPP-UHFFFAOYSA-N 2 2 313.445 3.301 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193164722 277064609 /nfs/dbraw/zinc/06/46/09/277064609.db2.gz KFSJZENUYMUGTJ-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193164722 277064610 /nfs/dbraw/zinc/06/46/10/277064610.db2.gz KFSJZENUYMUGTJ-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203284 277145800 /nfs/dbraw/zinc/14/58/00/277145800.db2.gz VUKFBOBPKJZDDX-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203284 277145802 /nfs/dbraw/zinc/14/58/02/277145802.db2.gz VUKFBOBPKJZDDX-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203284 277145803 /nfs/dbraw/zinc/14/58/03/277145803.db2.gz VUKFBOBPKJZDDX-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203284 277145804 /nfs/dbraw/zinc/14/58/04/277145804.db2.gz VUKFBOBPKJZDDX-AEFFLSMTSA-N 2 2 314.473 3.316 20 0 DGADLP COc1c(O)cccc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852687 277365228 /nfs/dbraw/zinc/36/52/28/277365228.db2.gz WJROKDIPQSDVRC-KRWDZBQOSA-N 2 2 314.429 3.314 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000421828817 277472160 /nfs/dbraw/zinc/47/21/60/277472160.db2.gz FKSSCXVHQNHVJR-CVEARBPZSA-N 2 2 305.466 3.396 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1F ZINC000192955392 278010360 /nfs/dbraw/zinc/01/03/60/278010360.db2.gz SCMJHXKKFUYYPH-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1F ZINC000192955392 278010361 /nfs/dbraw/zinc/01/03/61/278010361.db2.gz SCMJHXKKFUYYPH-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CCC[N@@H+]1Cc1ccccc1 ZINC000340363559 278104042 /nfs/dbraw/zinc/10/40/42/278104042.db2.gz GITGYTBMICUMFX-YHUYVZNPSA-N 2 2 314.473 3.197 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CCC[N@H+]1Cc1ccccc1 ZINC000340363559 278104046 /nfs/dbraw/zinc/10/40/46/278104046.db2.gz GITGYTBMICUMFX-YHUYVZNPSA-N 2 2 314.473 3.197 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000173298727 278174442 /nfs/dbraw/zinc/17/44/42/278174442.db2.gz GJWRPWJSOLQKJK-DOTOQJQBSA-N 2 2 322.518 3.416 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000173298727 278174444 /nfs/dbraw/zinc/17/44/44/278174444.db2.gz GJWRPWJSOLQKJK-DOTOQJQBSA-N 2 2 322.518 3.416 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C[NH+]1CCCC1 ZINC000449088441 278286859 /nfs/dbraw/zinc/28/68/59/278286859.db2.gz IKDQOMKIRXTRLO-FZMZJTMJSA-N 2 2 312.379 3.413 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882939 278358390 /nfs/dbraw/zinc/35/83/90/278358390.db2.gz PPTOKNPDUBRFJK-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882939 278358392 /nfs/dbraw/zinc/35/83/92/278358392.db2.gz PPTOKNPDUBRFJK-MBOZVWFJSA-N 3 2 315.505 3.149 20 0 DGADLP CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423121331 278396337 /nfs/dbraw/zinc/39/63/37/278396337.db2.gz AVBVWNYHKUCLMY-GXTWGEPZSA-N 2 2 309.251 3.024 20 0 DGADLP CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435615147 279058374 /nfs/dbraw/zinc/05/83/74/279058374.db2.gz OLTGUFBMROKVJW-OAHLLOKOSA-N 2 2 323.506 3.076 20 0 DGADLP CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435615147 279058375 /nfs/dbraw/zinc/05/83/75/279058375.db2.gz OLTGUFBMROKVJW-OAHLLOKOSA-N 2 2 323.506 3.076 20 0 DGADLP CC[N@@H+](Cc1ccccc1Br)C[C@@H]1CCC[NH2+]C1 ZINC000233544382 279240187 /nfs/dbraw/zinc/24/01/87/279240187.db2.gz XMMRQAQNBOKTON-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP CC[N@H+](Cc1ccccc1Br)C[C@@H]1CCC[NH2+]C1 ZINC000233544382 279240189 /nfs/dbraw/zinc/24/01/89/279240189.db2.gz XMMRQAQNBOKTON-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800880 431144233 /nfs/dbraw/zinc/14/42/33/431144233.db2.gz DOIKXRKUXBJIOS-DLBZAZTESA-N 2 2 309.885 3.017 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800880 431144240 /nfs/dbraw/zinc/14/42/40/431144240.db2.gz DOIKXRKUXBJIOS-DLBZAZTESA-N 2 2 309.885 3.017 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CC3CCCC3)c2cc1C ZINC000069227774 431171390 /nfs/dbraw/zinc/17/13/90/431171390.db2.gz NJMJYLDGIJOODC-KRWDZBQOSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CC3CCCC3)c2cc1C ZINC000069227774 431171397 /nfs/dbraw/zinc/17/13/97/431171397.db2.gz NJMJYLDGIJOODC-KRWDZBQOSA-N 2 2 315.461 3.136 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2OC)CC1 ZINC000111240630 431200239 /nfs/dbraw/zinc/20/02/39/431200239.db2.gz IWBSWHFQJQMUQP-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2OC)CC1 ZINC000111240630 431200247 /nfs/dbraw/zinc/20/02/47/431200247.db2.gz IWBSWHFQJQMUQP-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069805240 431224059 /nfs/dbraw/zinc/22/40/59/431224059.db2.gz SBHOSHZPCAQFQM-HUUCEWRRSA-N 2 2 324.415 3.070 20 0 DGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069805240 431224065 /nfs/dbraw/zinc/22/40/65/431224065.db2.gz SBHOSHZPCAQFQM-HUUCEWRRSA-N 2 2 324.415 3.070 20 0 DGADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccco2)C[C@H](C)O1 ZINC000069833335 431225979 /nfs/dbraw/zinc/22/59/79/431225979.db2.gz NMOQZJCPOMYHKN-HOTGVXAUSA-N 2 2 314.429 3.179 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857334 431228279 /nfs/dbraw/zinc/22/82/79/431228279.db2.gz WMVLJZCIEIWTSH-HZPDHXFCSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857334 431228285 /nfs/dbraw/zinc/22/82/85/431228285.db2.gz WMVLJZCIEIWTSH-HZPDHXFCSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074736 431238772 /nfs/dbraw/zinc/23/87/72/431238772.db2.gz XOIFWVOGWKNNQA-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000070074736 431238779 /nfs/dbraw/zinc/23/87/79/431238779.db2.gz XOIFWVOGWKNNQA-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000070148422 431241737 /nfs/dbraw/zinc/24/17/37/431241737.db2.gz HODPMRHKNFFXND-ZDUSSCGKSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1F ZINC000070148422 431241749 /nfs/dbraw/zinc/24/17/49/431241749.db2.gz HODPMRHKNFFXND-ZDUSSCGKSA-N 2 2 315.230 3.292 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000071147529 431272780 /nfs/dbraw/zinc/27/27/80/431272780.db2.gz CLZIMFOJMHSSEN-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000071147529 431272787 /nfs/dbraw/zinc/27/27/87/431272787.db2.gz CLZIMFOJMHSSEN-LBPRGKRZSA-N 2 2 305.809 3.036 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nc(C)no1 ZINC000073637334 431378440 /nfs/dbraw/zinc/37/84/40/431378440.db2.gz HEWVIIXKHIBLDB-ZDUSSCGKSA-N 2 2 302.422 3.071 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C12CCC2 ZINC000315811149 279817358 /nfs/dbraw/zinc/81/73/58/279817358.db2.gz DLJHPUITJYRYBN-KZNAEPCWSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453265789 280031552 /nfs/dbraw/zinc/03/15/52/280031552.db2.gz NXQDQBDGGUIXOS-VDGAXYAQSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453265789 280031554 /nfs/dbraw/zinc/03/15/54/280031554.db2.gz NXQDQBDGGUIXOS-VDGAXYAQSA-N 2 2 316.489 3.307 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422855066 280190716 /nfs/dbraw/zinc/19/07/16/280190716.db2.gz DGYDMGXXJXZALQ-MOPGFXCFSA-N 3 2 303.494 3.147 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422855066 280190717 /nfs/dbraw/zinc/19/07/17/280190717.db2.gz DGYDMGXXJXZALQ-MOPGFXCFSA-N 3 2 303.494 3.147 20 0 DGADLP CC[C@@H]([NH2+][C@@H](CC)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000422937459 280193222 /nfs/dbraw/zinc/19/32/22/280193222.db2.gz GMXYNNMTDCXHGD-XHSDSOJGSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000117970479 431585082 /nfs/dbraw/zinc/58/50/82/431585082.db2.gz NOVAZDYILNOWBX-ZNMIVQPWSA-N 2 2 312.417 3.072 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000117970479 431585088 /nfs/dbraw/zinc/58/50/88/431585088.db2.gz NOVAZDYILNOWBX-ZNMIVQPWSA-N 2 2 312.417 3.072 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)oc2c1 ZINC000119329754 431675256 /nfs/dbraw/zinc/67/52/56/431675256.db2.gz IKUPZXDMQQHGEF-OAHLLOKOSA-N 2 2 317.408 3.417 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)oc2c1 ZINC000119329754 431675261 /nfs/dbraw/zinc/67/52/61/431675261.db2.gz IKUPZXDMQQHGEF-OAHLLOKOSA-N 2 2 317.408 3.417 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000121224597 431756103 /nfs/dbraw/zinc/75/61/03/431756103.db2.gz AXIHAEWWTYDVJW-KURKYZTESA-N 2 2 320.864 3.214 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000121239270 431758522 /nfs/dbraw/zinc/75/85/22/431758522.db2.gz BHIYUTYTGJHKFA-INIZCTEOSA-N 2 2 324.428 3.128 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000121239270 431758527 /nfs/dbraw/zinc/75/85/27/431758527.db2.gz BHIYUTYTGJHKFA-INIZCTEOSA-N 2 2 324.428 3.128 20 0 DGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)[nH]c2c1 ZINC000121483050 431791701 /nfs/dbraw/zinc/79/17/01/431791701.db2.gz CELQHGNZGIJWTM-XWIAVFTESA-N 2 2 311.429 3.043 20 0 DGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336869016 280687311 /nfs/dbraw/zinc/68/73/11/280687311.db2.gz XVMLIZOGQZDWKB-HNNXBMFYSA-N 2 2 316.449 3.191 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000122756798 431843974 /nfs/dbraw/zinc/84/39/74/431843974.db2.gz VXZMRMHRRTUWNP-MRXNPFEDSA-N 2 2 312.461 3.002 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000122756798 431843976 /nfs/dbraw/zinc/84/39/76/431843976.db2.gz VXZMRMHRRTUWNP-MRXNPFEDSA-N 2 2 312.461 3.002 20 0 DGADLP C[C@H](Cc1cccs1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037284784 431845582 /nfs/dbraw/zinc/84/55/82/431845582.db2.gz RUAPUWUVNRHEAK-CQSZACIVSA-N 2 2 301.459 3.333 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@@H]1[NH3+] ZINC000122858104 431847422 /nfs/dbraw/zinc/84/74/22/431847422.db2.gz NWHDRZVUGFFNNL-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@@H]1[NH3+] ZINC000122858104 431847425 /nfs/dbraw/zinc/84/74/25/431847425.db2.gz NWHDRZVUGFFNNL-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000037644475 431849221 /nfs/dbraw/zinc/84/92/21/431849221.db2.gz DCQHUBVLDMYABO-LLVKDONJSA-N 2 2 304.406 3.167 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000037644475 431849223 /nfs/dbraw/zinc/84/92/23/431849223.db2.gz DCQHUBVLDMYABO-LLVKDONJSA-N 2 2 304.406 3.167 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000037976763 431852020 /nfs/dbraw/zinc/85/20/20/431852020.db2.gz ALKXQINHJSYHGL-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000037977209 431852649 /nfs/dbraw/zinc/85/26/49/431852649.db2.gz PUEPKNJSRYXSPO-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038003264 431853344 /nfs/dbraw/zinc/85/33/44/431853344.db2.gz JPPOIRZJIQMYBC-NXEZZACHSA-N 2 2 314.252 3.446 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089131719 431860473 /nfs/dbraw/zinc/86/04/73/431860473.db2.gz NTFWVWPBQHNZDA-CQSZACIVSA-N 2 2 324.490 3.007 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000089131719 431860476 /nfs/dbraw/zinc/86/04/76/431860476.db2.gz NTFWVWPBQHNZDA-CQSZACIVSA-N 2 2 324.490 3.007 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565413 431910045 /nfs/dbraw/zinc/91/00/45/431910045.db2.gz IBCWCVYIUWGQDI-OFLPRAFFSA-N 2 2 324.509 3.351 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565413 431910048 /nfs/dbraw/zinc/91/00/48/431910048.db2.gz IBCWCVYIUWGQDI-OFLPRAFFSA-N 2 2 324.509 3.351 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000125120556 431914704 /nfs/dbraw/zinc/91/47/04/431914704.db2.gz QQXVREGTNYXQRX-JKSUJKDBSA-N 2 2 312.461 3.296 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC000125205315 431917137 /nfs/dbraw/zinc/91/71/37/431917137.db2.gz NQKKWJCKCOGHNZ-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC000125205315 431917139 /nfs/dbraw/zinc/91/71/39/431917139.db2.gz NQKKWJCKCOGHNZ-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ncccc1C(F)(F)F ZINC000093659922 431917416 /nfs/dbraw/zinc/91/74/16/431917416.db2.gz RRAQUMCQGXIHHA-CYBMUJFWSA-N 2 2 315.383 3.407 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ncccc1C(F)(F)F ZINC000093659922 431917417 /nfs/dbraw/zinc/91/74/17/431917417.db2.gz RRAQUMCQGXIHHA-CYBMUJFWSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ncccc1C(F)(F)F ZINC000093659922 431917419 /nfs/dbraw/zinc/91/74/19/431917419.db2.gz RRAQUMCQGXIHHA-CYBMUJFWSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ncccc1C(F)(F)F ZINC000093659922 431917421 /nfs/dbraw/zinc/91/74/21/431917421.db2.gz RRAQUMCQGXIHHA-CYBMUJFWSA-N 2 2 315.383 3.407 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000044530885 431875174 /nfs/dbraw/zinc/87/51/74/431875174.db2.gz WNFPRFYASPTRAX-CQSZACIVSA-N 2 2 301.459 3.289 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000044530885 431875176 /nfs/dbraw/zinc/87/51/76/431875176.db2.gz WNFPRFYASPTRAX-CQSZACIVSA-N 2 2 301.459 3.289 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000044530720 431875636 /nfs/dbraw/zinc/87/56/36/431875636.db2.gz XHCURYIJEWMHKJ-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000044530720 431875638 /nfs/dbraw/zinc/87/56/38/431875638.db2.gz XHCURYIJEWMHKJ-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000124282342 431888760 /nfs/dbraw/zinc/88/87/60/431888760.db2.gz GOIFVEQGEXQJQU-KRWDZBQOSA-N 2 2 320.477 3.066 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124349053 431891024 /nfs/dbraw/zinc/89/10/24/431891024.db2.gz ADRNBGPZMZMNSM-CVEARBPZSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124349053 431891027 /nfs/dbraw/zinc/89/10/27/431891027.db2.gz ADRNBGPZMZMNSM-CVEARBPZSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000090720638 431894581 /nfs/dbraw/zinc/89/45/81/431894581.db2.gz LLIFOMYBUGDUHB-MWLCHTKSSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)CC[N@H+]1C ZINC000090720638 431894583 /nfs/dbraw/zinc/89/45/83/431894583.db2.gz LLIFOMYBUGDUHB-MWLCHTKSSA-N 2 2 303.269 3.083 20 0 DGADLP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000127502877 431974355 /nfs/dbraw/zinc/97/43/55/431974355.db2.gz VSXSDRFWJSUVMJ-IBGZPJMESA-N 2 2 324.472 3.125 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000125564145 431930035 /nfs/dbraw/zinc/93/00/35/431930035.db2.gz YIYKXMWXUVAXQX-LLVKDONJSA-N 2 2 304.331 3.228 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000125564145 431930037 /nfs/dbraw/zinc/93/00/37/431930037.db2.gz YIYKXMWXUVAXQX-LLVKDONJSA-N 2 2 304.331 3.228 20 0 DGADLP CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CCCC1 ZINC000051383033 431951162 /nfs/dbraw/zinc/95/11/62/431951162.db2.gz YHTVJKYFECNISB-KRWDZBQOSA-N 2 2 315.461 3.279 20 0 DGADLP CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CCCC1 ZINC000051383033 431951163 /nfs/dbraw/zinc/95/11/63/431951163.db2.gz YHTVJKYFECNISB-KRWDZBQOSA-N 2 2 315.461 3.279 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126914525 431960229 /nfs/dbraw/zinc/96/02/29/431960229.db2.gz XWDUKTYIUTUNNZ-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000126914525 431960232 /nfs/dbraw/zinc/96/02/32/431960232.db2.gz XWDUKTYIUTUNNZ-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000053201384 431961105 /nfs/dbraw/zinc/96/11/05/431961105.db2.gz AJBRPPVQPZBSQF-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000053201384 431961108 /nfs/dbraw/zinc/96/11/08/431961108.db2.gz AJBRPPVQPZBSQF-YPMHNXCESA-N 2 2 302.340 3.330 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000101544070 431985166 /nfs/dbraw/zinc/98/51/66/431985166.db2.gz XXLROJOTECIDDS-HXUWFJFHSA-N 2 2 319.408 3.446 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000101544070 431985169 /nfs/dbraw/zinc/98/51/69/431985169.db2.gz XXLROJOTECIDDS-HXUWFJFHSA-N 2 2 319.408 3.446 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000191521676 432272110 /nfs/dbraw/zinc/27/21/10/432272110.db2.gz LSCRQMCLCLWYPE-ZDUSSCGKSA-N 2 2 317.437 3.179 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000191521676 432272114 /nfs/dbraw/zinc/27/21/14/432272114.db2.gz LSCRQMCLCLWYPE-ZDUSSCGKSA-N 2 2 317.437 3.179 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCS2 ZINC000191523408 432274786 /nfs/dbraw/zinc/27/47/86/432274786.db2.gz HDSRKEMLJKZEIS-OGHNNQOOSA-N 2 2 318.486 3.447 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CCS2 ZINC000191523408 432274790 /nfs/dbraw/zinc/27/47/90/432274790.db2.gz HDSRKEMLJKZEIS-OGHNNQOOSA-N 2 2 318.486 3.447 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000191542212 432276203 /nfs/dbraw/zinc/27/62/03/432276203.db2.gz RINLKUQUHWLWFP-HUUCEWRRSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Br ZINC000191542212 432276204 /nfs/dbraw/zinc/27/62/04/432276204.db2.gz RINLKUQUHWLWFP-HUUCEWRRSA-N 2 2 323.278 3.474 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000173432817 432278680 /nfs/dbraw/zinc/27/86/80/432278680.db2.gz OGCXOGCISRURQY-LSDHHAIUSA-N 2 2 308.491 3.027 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)C[C@H]3c3ccccc3)cn2c1 ZINC000248399054 432284902 /nfs/dbraw/zinc/28/49/02/432284902.db2.gz JKNQRAXVMCRXPV-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)C[C@H]3c3ccccc3)cn2c1 ZINC000248399054 432284903 /nfs/dbraw/zinc/28/49/03/432284903.db2.gz JKNQRAXVMCRXPV-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000173617821 432289503 /nfs/dbraw/zinc/28/95/03/432289503.db2.gz GUHNUYSHTUZSDP-MRXNPFEDSA-N 2 2 317.477 3.093 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1C ZINC000173617925 432289769 /nfs/dbraw/zinc/28/97/69/432289769.db2.gz CAWVPIGVWSPKMN-INIZCTEOSA-N 2 2 317.477 3.093 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(F)c1 ZINC000248447801 432292005 /nfs/dbraw/zinc/29/20/05/432292005.db2.gz NQSJSZVSROVZEN-YZVOILCLSA-N 2 2 313.420 3.392 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(F)c1 ZINC000248447801 432292009 /nfs/dbraw/zinc/29/20/09/432292009.db2.gz NQSJSZVSROVZEN-YZVOILCLSA-N 2 2 313.420 3.392 20 0 DGADLP CC[N@@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000248062728 432265784 /nfs/dbraw/zinc/26/57/84/432265784.db2.gz YYQOJHXCLNUBOT-FGTMMUONSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C)C1 ZINC000248062728 432265787 /nfs/dbraw/zinc/26/57/87/432265787.db2.gz YYQOJHXCLNUBOT-FGTMMUONSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000248062728 432265790 /nfs/dbraw/zinc/26/57/90/432265790.db2.gz YYQOJHXCLNUBOT-FGTMMUONSA-N 2 2 319.493 3.127 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC000248062728 432265793 /nfs/dbraw/zinc/26/57/93/432265793.db2.gz YYQOJHXCLNUBOT-FGTMMUONSA-N 2 2 319.493 3.127 20 0 DGADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc(F)cc1 ZINC000183181359 432267795 /nfs/dbraw/zinc/26/77/95/432267795.db2.gz PNNNLCCBFZCQFV-GOSISDBHSA-N 2 2 319.424 3.104 20 0 DGADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc(F)cc1 ZINC000183181359 432267799 /nfs/dbraw/zinc/26/77/99/432267799.db2.gz PNNNLCCBFZCQFV-GOSISDBHSA-N 2 2 319.424 3.104 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000248761928 432317555 /nfs/dbraw/zinc/31/75/55/432317555.db2.gz GQNGEPRWIBNOQV-RDTXWAMCSA-N 2 2 324.428 3.032 20 0 DGADLP Cc1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000248761928 432317558 /nfs/dbraw/zinc/31/75/58/432317558.db2.gz GQNGEPRWIBNOQV-RDTXWAMCSA-N 2 2 324.428 3.032 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1cccs1 ZINC000174460213 432349129 /nfs/dbraw/zinc/34/91/29/432349129.db2.gz HETMUWVUQFSSKW-SUMWQHHRSA-N 2 2 320.458 3.006 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)o2)[C@@H]1c1cccs1 ZINC000174460213 432349134 /nfs/dbraw/zinc/34/91/34/432349134.db2.gz HETMUWVUQFSSKW-SUMWQHHRSA-N 2 2 320.458 3.006 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000270946162 432305982 /nfs/dbraw/zinc/30/59/82/432305982.db2.gz ZLWAGHDLVZSTSA-MRXNPFEDSA-N 2 2 323.799 3.058 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000270946162 432305985 /nfs/dbraw/zinc/30/59/85/432305985.db2.gz ZLWAGHDLVZSTSA-MRXNPFEDSA-N 2 2 323.799 3.058 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000248720275 432314085 /nfs/dbraw/zinc/31/40/85/432314085.db2.gz SKKYSWYNDAQGNU-JSGCOSHPSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1Br ZINC000248720275 432314090 /nfs/dbraw/zinc/31/40/90/432314090.db2.gz SKKYSWYNDAQGNU-JSGCOSHPSA-N 2 2 311.267 3.330 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000192456361 432375950 /nfs/dbraw/zinc/37/59/50/432375950.db2.gz YVAUHRHXKZOYRY-KFKAGJAMSA-N 2 2 320.477 3.093 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000192456354 432376397 /nfs/dbraw/zinc/37/63/97/432376397.db2.gz YVAUHRHXKZOYRY-IPELMVKDSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271358838 432381439 /nfs/dbraw/zinc/38/14/39/432381439.db2.gz FEHSAKXTKVPBAD-OAHLLOKOSA-N 2 2 301.434 3.322 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000271399938 432387449 /nfs/dbraw/zinc/38/74/49/432387449.db2.gz LKAVMJKSCIZMGS-INIZCTEOSA-N 2 2 319.518 3.402 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000252970160 432388416 /nfs/dbraw/zinc/38/84/16/432388416.db2.gz WSUBQJMOETYDIW-WZRBSPASSA-N 2 2 317.260 3.411 20 0 DGADLP c1cc2[nH+]ccc(NCC3CCN(c4cc[nH+]cc4)CC3)c2cn1 ZINC000271410068 432390725 /nfs/dbraw/zinc/39/07/25/432390725.db2.gz KCEDVIOGMBXPAC-UHFFFAOYSA-N 2 2 319.412 3.353 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C[NH+]1CCOCC1 ZINC000153244487 432394535 /nfs/dbraw/zinc/39/45/35/432394535.db2.gz GTNYNKIRHWMNSL-STQMWFEESA-N 2 2 314.832 3.098 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000175086906 432395191 /nfs/dbraw/zinc/39/51/91/432395191.db2.gz VLNOISRNUKANEF-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192356200 432363942 /nfs/dbraw/zinc/36/39/42/432363942.db2.gz YOQNEYZTYZDHMQ-OAQYLSRUSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192356200 432363946 /nfs/dbraw/zinc/36/39/46/432363946.db2.gz YOQNEYZTYZDHMQ-OAQYLSRUSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184734127 432428021 /nfs/dbraw/zinc/42/80/21/432428021.db2.gz OQOOVBFSVRMQPS-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184734127 432428025 /nfs/dbraw/zinc/42/80/25/432428025.db2.gz OQOOVBFSVRMQPS-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192925341 432429179 /nfs/dbraw/zinc/42/91/79/432429179.db2.gz BTBNNTMIDWKWEA-KRWDZBQOSA-N 3 2 312.461 3.399 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000184752952 432429318 /nfs/dbraw/zinc/42/93/18/432429318.db2.gz CBROETYYTCJBKR-GJZGRUSLSA-N 2 2 313.445 3.229 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559248 432430601 /nfs/dbraw/zinc/43/06/01/432430601.db2.gz SYPXBYLQGSABII-WMQCIHAUSA-N 3 2 321.468 3.243 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261559248 432430604 /nfs/dbraw/zinc/43/06/04/432430604.db2.gz SYPXBYLQGSABII-WMQCIHAUSA-N 3 2 321.468 3.243 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272054391 432438005 /nfs/dbraw/zinc/43/80/05/432438005.db2.gz SFXUFMFTOXSKTN-OAUYIBNBSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272054391 432438009 /nfs/dbraw/zinc/43/80/09/432438009.db2.gz SFXUFMFTOXSKTN-OAUYIBNBSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000261667334 432439514 /nfs/dbraw/zinc/43/95/14/432439514.db2.gz ITVJYFXFRUQECP-AWEZNQCLSA-N 2 2 303.233 3.043 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000261667334 432439519 /nfs/dbraw/zinc/43/95/19/432439519.db2.gz ITVJYFXFRUQECP-AWEZNQCLSA-N 2 2 303.233 3.043 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000261672196 432440974 /nfs/dbraw/zinc/44/09/74/432440974.db2.gz LOKKFSRKEOJDAY-AWEZNQCLSA-N 2 2 302.315 3.030 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000261672196 432440975 /nfs/dbraw/zinc/44/09/75/432440975.db2.gz LOKKFSRKEOJDAY-AWEZNQCLSA-N 2 2 302.315 3.030 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702981 432442375 /nfs/dbraw/zinc/44/23/75/432442375.db2.gz LTRGMYXOPATYHE-QUCCMNQESA-N 2 2 323.440 3.037 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000261702981 432442378 /nfs/dbraw/zinc/44/23/78/432442378.db2.gz LTRGMYXOPATYHE-QUCCMNQESA-N 2 2 323.440 3.037 20 0 DGADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc2ccccc2n1 ZINC000261724044 432444890 /nfs/dbraw/zinc/44/48/90/432444890.db2.gz IRMUXODXTGTTSN-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc2ccccc2n1 ZINC000261724044 432444896 /nfs/dbraw/zinc/44/48/96/432444896.db2.gz IRMUXODXTGTTSN-UHFFFAOYSA-N 2 2 305.425 3.238 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261796803 432451414 /nfs/dbraw/zinc/45/14/14/432451414.db2.gz NXLLZJJGUALRLA-ZBEGNZNMSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261796803 432451416 /nfs/dbraw/zinc/45/14/16/432451416.db2.gz NXLLZJJGUALRLA-ZBEGNZNMSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272149315 432451953 /nfs/dbraw/zinc/45/19/53/432451953.db2.gz LTCSVUFGGQOJJJ-CQSZACIVSA-N 2 2 315.417 3.017 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1F ZINC000271502480 432410517 /nfs/dbraw/zinc/41/05/17/432410517.db2.gz METGEKOOVIMOFL-ZOCIIQOWSA-N 2 2 320.452 3.244 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1C ZINC000192851901 432421659 /nfs/dbraw/zinc/42/16/59/432421659.db2.gz MNQPTKHDNRKFKD-KBPBESRZSA-N 2 2 309.417 3.326 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000262050612 432471722 /nfs/dbraw/zinc/47/17/22/432471722.db2.gz CUGGHJZAOKYQFB-BRWVUGGUSA-N 2 2 300.450 3.014 20 0 DGADLP CC(C)O[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000185198657 432476677 /nfs/dbraw/zinc/47/66/77/432476677.db2.gz LBRUHOILJZKKEP-IRXDYDNUSA-N 2 2 317.477 3.232 20 0 DGADLP c1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508529 432477994 /nfs/dbraw/zinc/47/79/94/432477994.db2.gz FFSXTXGWUZNTPE-UZLBHIALSA-N 2 2 307.441 3.245 20 0 DGADLP c1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000193508529 432477997 /nfs/dbraw/zinc/47/79/97/432477997.db2.gz FFSXTXGWUZNTPE-UZLBHIALSA-N 2 2 307.441 3.245 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000262416775 432484514 /nfs/dbraw/zinc/48/45/14/432484514.db2.gz DQSVZYJTLKHDNU-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000262416775 432484517 /nfs/dbraw/zinc/48/45/17/432484517.db2.gz DQSVZYJTLKHDNU-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)co2)cc1 ZINC000262409412 432484940 /nfs/dbraw/zinc/48/49/40/432484940.db2.gz CZLXVNITFPEATG-BBRMVZONSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)co2)cc1 ZINC000262409412 432484944 /nfs/dbraw/zinc/48/49/44/432484944.db2.gz CZLXVNITFPEATG-BBRMVZONSA-N 2 2 317.820 3.179 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000262456594 432485628 /nfs/dbraw/zinc/48/56/28/432485628.db2.gz IEEIBFDHBZHSSP-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000262456594 432485633 /nfs/dbraw/zinc/48/56/33/432485633.db2.gz IEEIBFDHBZHSSP-JSGCOSHPSA-N 2 2 319.836 3.412 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000262449783 432485876 /nfs/dbraw/zinc/48/58/76/432485876.db2.gz HQGPBLUAXRWSAX-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000262449783 432485881 /nfs/dbraw/zinc/48/58/81/432485881.db2.gz HQGPBLUAXRWSAX-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000262513205 432489360 /nfs/dbraw/zinc/48/93/60/432489360.db2.gz NBVGCEFLWWLJDI-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000262513205 432489362 /nfs/dbraw/zinc/48/93/62/432489362.db2.gz NBVGCEFLWWLJDI-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000154542439 432505264 /nfs/dbraw/zinc/50/52/64/432505264.db2.gz IGPBRJMPQYHAMN-DGCLKSJQSA-N 2 2 314.376 3.041 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000154542439 432505270 /nfs/dbraw/zinc/50/52/70/432505270.db2.gz IGPBRJMPQYHAMN-DGCLKSJQSA-N 2 2 314.376 3.041 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000272197131 432460923 /nfs/dbraw/zinc/46/09/23/432460923.db2.gz IJEDTWZBSOZVRG-CJNGLKHVSA-N 2 2 316.474 3.457 20 0 DGADLP CC[N@H+](Cc1cc(Br)ccc1F)CC(C)(C)[NH3+] ZINC000261944871 432464728 /nfs/dbraw/zinc/46/47/28/432464728.db2.gz NEOLIIYFPYCNDD-UHFFFAOYSA-N 2 2 303.219 3.147 20 0 DGADLP CC[N@@H+](Cc1cc(Br)ccc1F)CC(C)(C)[NH3+] ZINC000261944871 432464734 /nfs/dbraw/zinc/46/47/34/432464734.db2.gz NEOLIIYFPYCNDD-UHFFFAOYSA-N 2 2 303.219 3.147 20 0 DGADLP COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(C)(C)[NH3+])cc1OC ZINC000261989765 432468674 /nfs/dbraw/zinc/46/86/74/432468674.db2.gz SEBQPGPELKJHGG-MRXNPFEDSA-N 2 2 320.477 3.228 20 0 DGADLP COc1ccc(CC[C@H]2CCCC[N@H+]2CC(C)(C)[NH3+])cc1OC ZINC000261989765 432468677 /nfs/dbraw/zinc/46/86/77/432468677.db2.gz SEBQPGPELKJHGG-MRXNPFEDSA-N 2 2 320.477 3.228 20 0 DGADLP C[C@]1(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028474 432470412 /nfs/dbraw/zinc/47/04/12/432470412.db2.gz NVHMYQCNDVUPHD-PBHICJAKSA-N 2 2 308.853 3.183 20 0 DGADLP C[C@]1(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000262028474 432470417 /nfs/dbraw/zinc/47/04/17/432470417.db2.gz NVHMYQCNDVUPHD-PBHICJAKSA-N 2 2 308.853 3.183 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000193989833 432515400 /nfs/dbraw/zinc/51/54/00/432515400.db2.gz IHHQLAZKWAEBQG-CEXWTWQISA-N 2 2 314.473 3.056 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000193989833 432515403 /nfs/dbraw/zinc/51/54/03/432515403.db2.gz IHHQLAZKWAEBQG-CEXWTWQISA-N 2 2 314.473 3.056 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000185620789 432517170 /nfs/dbraw/zinc/51/71/70/432517170.db2.gz QBQLSLVTAHFFGG-RYQLBKOJSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000185620789 432517173 /nfs/dbraw/zinc/51/71/73/432517173.db2.gz QBQLSLVTAHFFGG-RYQLBKOJSA-N 2 2 322.493 3.057 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000154747208 432518269 /nfs/dbraw/zinc/51/82/69/432518269.db2.gz PBBKYTDBQVREHX-DOTOQJQBSA-N 2 2 305.466 3.080 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000154747208 432518272 /nfs/dbraw/zinc/51/82/72/432518272.db2.gz PBBKYTDBQVREHX-DOTOQJQBSA-N 2 2 305.466 3.080 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000154834469 432523239 /nfs/dbraw/zinc/52/32/39/432523239.db2.gz FSHZNPLGTNCECR-GFCCVEGCSA-N 2 2 314.832 3.241 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Br)o1 ZINC000176456680 432524057 /nfs/dbraw/zinc/52/40/57/432524057.db2.gz ZPBGIUYGBNCAHP-GFCCVEGCSA-N 2 2 315.255 3.348 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Br)o1 ZINC000176456680 432524062 /nfs/dbraw/zinc/52/40/62/432524062.db2.gz ZPBGIUYGBNCAHP-GFCCVEGCSA-N 2 2 315.255 3.348 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Br)o1 ZINC000176456680 432524065 /nfs/dbraw/zinc/52/40/65/432524065.db2.gz ZPBGIUYGBNCAHP-GFCCVEGCSA-N 2 2 315.255 3.348 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Br)o1 ZINC000176456680 432524068 /nfs/dbraw/zinc/52/40/68/432524068.db2.gz ZPBGIUYGBNCAHP-GFCCVEGCSA-N 2 2 315.255 3.348 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599169 432531213 /nfs/dbraw/zinc/53/12/13/432531213.db2.gz IUIGBLUGKRHGRC-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599169 432531215 /nfs/dbraw/zinc/53/12/15/432531215.db2.gz IUIGBLUGKRHGRC-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599169 432531217 /nfs/dbraw/zinc/53/12/17/432531217.db2.gz IUIGBLUGKRHGRC-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)[C@@H]2C1 ZINC000272599169 432531218 /nfs/dbraw/zinc/53/12/18/432531218.db2.gz IUIGBLUGKRHGRC-SUMWQHHRSA-N 2 2 315.848 3.414 20 0 DGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000185926335 432546688 /nfs/dbraw/zinc/54/66/88/432546688.db2.gz BZTBHVDXLISQFE-VIFPVBQESA-N 2 2 304.341 3.099 20 0 DGADLP C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186540155 432605254 /nfs/dbraw/zinc/60/52/54/432605254.db2.gz ZMHIJSHANGCFHE-YOEHRIQHSA-N 2 2 311.385 3.240 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186573589 432609216 /nfs/dbraw/zinc/60/92/16/432609216.db2.gz KHEUYPWTERRJMO-HOJAQTOUSA-N 2 2 317.521 3.215 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186573589 432609220 /nfs/dbraw/zinc/60/92/20/432609220.db2.gz KHEUYPWTERRJMO-HOJAQTOUSA-N 2 2 317.521 3.215 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273569461 432613196 /nfs/dbraw/zinc/61/31/96/432613196.db2.gz XWKKQOYKRMKCPM-QZTJIDSGSA-N 2 2 317.408 3.264 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273569461 432613198 /nfs/dbraw/zinc/61/31/98/432613198.db2.gz XWKKQOYKRMKCPM-QZTJIDSGSA-N 2 2 317.408 3.264 20 0 DGADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155686744 432567047 /nfs/dbraw/zinc/56/70/47/432567047.db2.gz XJBXDCGMMRFDPO-IDOMTICXSA-N 2 2 313.445 3.449 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCCCC(F)(F)F)CC2)c1 ZINC000155814843 432574530 /nfs/dbraw/zinc/57/45/30/432574530.db2.gz VDNDAVBKLCOTMW-UHFFFAOYSA-N 2 2 301.356 3.245 20 0 DGADLP c1csc([C@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCC2)c1 ZINC000263784541 432576442 /nfs/dbraw/zinc/57/64/42/432576442.db2.gz MHVBGGRBMFTYPS-ZDUSSCGKSA-N 2 2 313.430 3.268 20 0 DGADLP COc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000177233128 432601395 /nfs/dbraw/zinc/60/13/95/432601395.db2.gz UPOPHVHRXBVLMO-AWEZNQCLSA-N 2 2 322.412 3.435 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C1CC1 ZINC000177391484 432619152 /nfs/dbraw/zinc/61/91/52/432619152.db2.gz FJDLLWVARXMHEZ-CQSZACIVSA-N 2 2 303.450 3.048 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000157554157 432622590 /nfs/dbraw/zinc/62/25/90/432622590.db2.gz PXDDLKLJULHACH-UHFFFAOYSA-N 3 2 307.526 3.246 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[NH+]2CCC(C)CC2)C2CC2)cc1 ZINC000195600404 432630009 /nfs/dbraw/zinc/63/00/09/432630009.db2.gz KOTZLNKOKVLKOJ-LJQANCHMSA-N 2 2 302.462 3.468 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000157810244 432630984 /nfs/dbraw/zinc/63/09/84/432630984.db2.gz RSXZCSIHHAVQFV-IRXDYDNUSA-N 2 2 314.477 3.381 20 0 DGADLP CCc1cc(NC2CC[NH+](C3CC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000264411323 432642980 /nfs/dbraw/zinc/64/29/80/432642980.db2.gz LJXZLQYOADIVIG-UHFFFAOYSA-N 2 2 323.444 3.140 20 0 DGADLP C[N@@H+](Cc1cncc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274360337 432657441 /nfs/dbraw/zinc/65/74/41/432657441.db2.gz NGEQZWAZRBQARI-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1cncc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274360337 432657444 /nfs/dbraw/zinc/65/74/44/432657444.db2.gz NGEQZWAZRBQARI-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cncc(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274360337 432657450 /nfs/dbraw/zinc/65/74/50/432657450.db2.gz NGEQZWAZRBQARI-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1cncc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274360337 432657453 /nfs/dbraw/zinc/65/74/53/432657453.db2.gz NGEQZWAZRBQARI-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384613 432661017 /nfs/dbraw/zinc/66/10/17/432661017.db2.gz UCHKXEZYDOVOJR-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384613 432661023 /nfs/dbraw/zinc/66/10/23/432661023.db2.gz UCHKXEZYDOVOJR-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000274384613 432661028 /nfs/dbraw/zinc/66/10/28/432661028.db2.gz UCHKXEZYDOVOJR-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000274384613 432661033 /nfs/dbraw/zinc/66/10/33/432661033.db2.gz UCHKXEZYDOVOJR-JKSUJKDBSA-N 2 2 305.441 3.307 20 0 DGADLP c1cc2c(nc[nH+]c2N[C@@H](C[NH+]2CCCC2)c2ccccc2)[nH]1 ZINC000264921760 432665125 /nfs/dbraw/zinc/66/51/25/432665125.db2.gz MUQXVFQYWCQROF-INIZCTEOSA-N 2 2 307.401 3.207 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274430110 432667494 /nfs/dbraw/zinc/66/74/94/432667494.db2.gz GOOVHGQRGKNFLT-KRWDZBQOSA-N 2 2 319.836 3.309 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274430110 432667497 /nfs/dbraw/zinc/66/74/97/432667497.db2.gz GOOVHGQRGKNFLT-KRWDZBQOSA-N 2 2 319.836 3.309 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000178120225 432697049 /nfs/dbraw/zinc/69/70/49/432697049.db2.gz KPVCNKLCTGGFDR-HUUCEWRRSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000178120225 432697055 /nfs/dbraw/zinc/69/70/55/432697055.db2.gz KPVCNKLCTGGFDR-HUUCEWRRSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccsc1 ZINC000178169115 432701349 /nfs/dbraw/zinc/70/13/49/432701349.db2.gz ZTGCRWYJJWOEJV-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265502370 432705753 /nfs/dbraw/zinc/70/57/53/432705753.db2.gz PKCYWFMTQSPYGM-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP Fc1ccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265516445 432706993 /nfs/dbraw/zinc/70/69/93/432706993.db2.gz SAIRTEZJTADVNC-UHFFFAOYSA-N 2 2 303.381 3.197 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000188146807 432707135 /nfs/dbraw/zinc/70/71/35/432707135.db2.gz DOSISSGXSRUBIV-DOMZBBRYSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000188146807 432707139 /nfs/dbraw/zinc/70/71/39/432707139.db2.gz DOSISSGXSRUBIV-DOMZBBRYSA-N 2 2 311.267 3.064 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000227906904 432716793 /nfs/dbraw/zinc/71/67/93/432716793.db2.gz YCGSWHVQBJHELR-UHFFFAOYSA-N 2 2 323.687 3.335 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000178309682 432718766 /nfs/dbraw/zinc/71/87/66/432718766.db2.gz YWANYZKYANEHAP-KBPBESRZSA-N 2 2 303.475 3.474 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1OC(F)(F)F ZINC000178307788 432719154 /nfs/dbraw/zinc/71/91/54/432719154.db2.gz UFQWSXHMGJRNNZ-LBPRGKRZSA-N 2 2 302.340 3.332 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332489 432721564 /nfs/dbraw/zinc/72/15/64/432721564.db2.gz PWONNPFIWPWXEZ-FUHWJXTLSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1OC ZINC000178332489 432721570 /nfs/dbraw/zinc/72/15/70/432721570.db2.gz PWONNPFIWPWXEZ-FUHWJXTLSA-N 2 2 320.477 3.093 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](NCC[NH+]3CCCCCC3)C2)cc1 ZINC000236585917 432749304 /nfs/dbraw/zinc/74/93/04/432749304.db2.gz HOSSXUQMBPIWBP-HXUWFJFHSA-N 2 2 315.505 3.117 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](NCC[NH+]3CCCCCC3)C2)cc1 ZINC000236585917 432749309 /nfs/dbraw/zinc/74/93/09/432749309.db2.gz HOSSXUQMBPIWBP-HXUWFJFHSA-N 2 2 315.505 3.117 20 0 DGADLP c1ccc(CN2CCC[C@@H]([NH2+]CC[NH+]3CCCCCC3)C2)cc1 ZINC000236585917 432749313 /nfs/dbraw/zinc/74/93/13/432749313.db2.gz HOSSXUQMBPIWBP-HXUWFJFHSA-N 2 2 315.505 3.117 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266055047 432750926 /nfs/dbraw/zinc/75/09/26/432750926.db2.gz ZVDLELRJLTUILK-CABCVRRESA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266055047 432750930 /nfs/dbraw/zinc/75/09/30/432750930.db2.gz ZVDLELRJLTUILK-CABCVRRESA-N 2 2 308.853 3.055 20 0 DGADLP CC(C)CCn1cccc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000236635729 432752289 /nfs/dbraw/zinc/75/22/89/432752289.db2.gz MFSAVMVYOVJXNV-QZTJIDSGSA-N 2 2 321.509 3.123 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000266155401 432752454 /nfs/dbraw/zinc/75/24/54/432752454.db2.gz LVYMWWGYLJAOBB-CRAIPNDOSA-N 2 2 319.468 3.246 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000266155401 432752458 /nfs/dbraw/zinc/75/24/58/432752458.db2.gz LVYMWWGYLJAOBB-CRAIPNDOSA-N 2 2 319.468 3.246 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1cccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000236683707 432756343 /nfs/dbraw/zinc/75/63/43/432756343.db2.gz HLVPLRHINJXAQQ-FQEVSTJZSA-N 2 2 311.473 3.198 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1cccn1C)[N@H+]1CCc2ccccc2C1 ZINC000236683707 432756349 /nfs/dbraw/zinc/75/63/49/432756349.db2.gz HLVPLRHINJXAQQ-FQEVSTJZSA-N 2 2 311.473 3.198 20 0 DGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000188991722 432756528 /nfs/dbraw/zinc/75/65/28/432756528.db2.gz JOJAQPMRHZEBJB-UHFFFAOYSA-N 2 2 303.715 3.345 20 0 DGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178658592 432762770 /nfs/dbraw/zinc/76/27/70/432762770.db2.gz TYIZNRGFZBPUBF-SJCJKPOMSA-N 2 2 314.433 3.075 20 0 DGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178703144 432768943 /nfs/dbraw/zinc/76/89/43/432768943.db2.gz VSBHBHSGPDKPOS-HOTGVXAUSA-N 3 2 323.444 3.364 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000266616347 432771080 /nfs/dbraw/zinc/77/10/80/432771080.db2.gz YGSQUSNCCPSWGA-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000266616347 432771084 /nfs/dbraw/zinc/77/10/84/432771084.db2.gz YGSQUSNCCPSWGA-RHSMWYFYSA-N 2 2 310.869 3.037 20 0 DGADLP Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000189222056 432771934 /nfs/dbraw/zinc/77/19/34/432771934.db2.gz MJDRMWOJHNNMCF-UHFFFAOYSA-N 2 2 314.477 3.274 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)c2ccccc2)n1-c1ccccc1 ZINC000266660537 432775231 /nfs/dbraw/zinc/77/52/31/432775231.db2.gz XJOTTWLITBACJC-FQEVSTJZSA-N 2 2 321.424 3.178 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000231463723 432733170 /nfs/dbraw/zinc/73/31/70/432733170.db2.gz UYUPQVFDGJSFLJ-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000231463723 432733173 /nfs/dbraw/zinc/73/31/73/432733173.db2.gz UYUPQVFDGJSFLJ-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000178426030 432735337 /nfs/dbraw/zinc/73/53/37/432735337.db2.gz NHTPTKCLTIXXSK-QGZVFWFLSA-N 2 2 313.445 3.144 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000178426030 432735339 /nfs/dbraw/zinc/73/53/39/432735339.db2.gz NHTPTKCLTIXXSK-QGZVFWFLSA-N 2 2 313.445 3.144 20 0 DGADLP Fc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000162530068 432826421 /nfs/dbraw/zinc/82/64/21/432826421.db2.gz HBHXUVYTBAAOEL-UHFFFAOYSA-N 2 2 301.287 3.221 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000245455420 432833277 /nfs/dbraw/zinc/83/32/77/432833277.db2.gz IBNOYQDJCAFEBR-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000245455420 432833280 /nfs/dbraw/zinc/83/32/80/432833280.db2.gz IBNOYQDJCAFEBR-HZSPNIEDSA-N 2 2 312.404 3.115 20 0 DGADLP CCCCc1noc([C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000266766650 432784705 /nfs/dbraw/zinc/78/47/05/432784705.db2.gz RKSSNBMVKNYEET-GFCCVEGCSA-N 2 2 303.410 3.076 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000237536621 432790353 /nfs/dbraw/zinc/79/03/53/432790353.db2.gz VEQHLVYWSIZGLR-CVEARBPZSA-N 2 2 318.461 3.200 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000161896798 432802750 /nfs/dbraw/zinc/80/27/50/432802750.db2.gz XYUPAWRDETUTQY-WBVHZDCISA-N 2 2 314.477 3.362 20 0 DGADLP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000161896798 432802752 /nfs/dbraw/zinc/80/27/52/432802752.db2.gz XYUPAWRDETUTQY-WBVHZDCISA-N 2 2 314.477 3.362 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)[nH]1 ZINC000276452767 432809408 /nfs/dbraw/zinc/80/94/08/432809408.db2.gz NASRWSPCBLLRSJ-QGZVFWFLSA-N 2 2 311.429 3.157 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)[nH]1 ZINC000276452767 432809411 /nfs/dbraw/zinc/80/94/11/432809411.db2.gz NASRWSPCBLLRSJ-QGZVFWFLSA-N 2 2 311.429 3.157 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@@H]1CCC[NH2+]1 ZINC000238128577 432813030 /nfs/dbraw/zinc/81/30/30/432813030.db2.gz ACCFTJDIDLUWAP-HNNXBMFYSA-N 2 2 312.417 3.301 20 0 DGADLP Clc1cccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268302408 432862751 /nfs/dbraw/zinc/86/27/51/432862751.db2.gz HLANCVBRUNTMQO-ZDUSSCGKSA-N 2 2 305.809 3.322 20 0 DGADLP Clc1cccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000268302408 432862754 /nfs/dbraw/zinc/86/27/54/432862754.db2.gz HLANCVBRUNTMQO-ZDUSSCGKSA-N 2 2 305.809 3.322 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2F)CCCO1 ZINC000277621306 432865308 /nfs/dbraw/zinc/86/53/08/432865308.db2.gz BOIIMCWGVVMMBG-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)cc2F)CCCO1 ZINC000277621306 432865311 /nfs/dbraw/zinc/86/53/11/432865311.db2.gz BOIIMCWGVVMMBG-CYBMUJFWSA-N 2 2 314.832 3.070 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[NH+](C)C)cc1 ZINC000245905368 432868759 /nfs/dbraw/zinc/86/87/59/432868759.db2.gz OKJKYCQKQLAFFP-INDMIFKZSA-N 2 2 316.489 3.391 20 0 DGADLP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330145041 432894083 /nfs/dbraw/zinc/89/40/83/432894083.db2.gz ZZGAQERJYVQFCX-SJLPKXTDSA-N 2 2 323.396 3.138 20 0 DGADLP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330145041 432894087 /nfs/dbraw/zinc/89/40/87/432894087.db2.gz ZZGAQERJYVQFCX-SJLPKXTDSA-N 2 2 323.396 3.138 20 0 DGADLP C[C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@@H]1C ZINC000162981563 432840053 /nfs/dbraw/zinc/84/00/53/432840053.db2.gz LOZNIPAYNCBEDK-XJKCOSOUSA-N 2 2 322.416 3.447 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163149873 432844779 /nfs/dbraw/zinc/84/47/79/432844779.db2.gz BAMOOWZEABNJEK-DNVCBOLYSA-N 2 2 313.445 3.464 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000163142488 432845251 /nfs/dbraw/zinc/84/52/51/432845251.db2.gz JNQOCYRYSQRBKC-IBGZPJMESA-N 2 2 313.445 3.354 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000163142488 432845253 /nfs/dbraw/zinc/84/52/53/432845253.db2.gz JNQOCYRYSQRBKC-IBGZPJMESA-N 2 2 313.445 3.354 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)CC[N@@H+]1C ZINC000245569264 432846783 /nfs/dbraw/zinc/84/67/83/432846783.db2.gz ALNZXPODBGRDTB-DKSSEZFCSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)CC[N@H+]1C ZINC000245569264 432846785 /nfs/dbraw/zinc/84/67/85/432846785.db2.gz ALNZXPODBGRDTB-DKSSEZFCSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000163290029 432849544 /nfs/dbraw/zinc/84/95/44/432849544.db2.gz GXDLVYSTPRTSFT-WFASDCNBSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000163290029 432849547 /nfs/dbraw/zinc/84/95/47/432849547.db2.gz GXDLVYSTPRTSFT-WFASDCNBSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000163413235 432851780 /nfs/dbraw/zinc/85/17/80/432851780.db2.gz RZIHXZJOGQTAMN-YPMHNXCESA-N 2 2 302.340 3.002 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1C[NH3+] ZINC000163413235 432851784 /nfs/dbraw/zinc/85/17/84/432851784.db2.gz RZIHXZJOGQTAMN-YPMHNXCESA-N 2 2 302.340 3.002 20 0 DGADLP c1cn(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000245655331 432853206 /nfs/dbraw/zinc/85/32/06/432853206.db2.gz DHXUBDKQNVHJRT-ACDBMABISA-N 3 2 324.472 3.058 20 0 DGADLP c1cn(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000245655331 432853209 /nfs/dbraw/zinc/85/32/09/432853209.db2.gz DHXUBDKQNVHJRT-ACDBMABISA-N 3 2 324.472 3.058 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277533416 432859019 /nfs/dbraw/zinc/85/90/19/432859019.db2.gz PYUQIMBSYGWVEH-SFHVURJKSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277533416 432859022 /nfs/dbraw/zinc/85/90/22/432859022.db2.gz PYUQIMBSYGWVEH-SFHVURJKSA-N 2 2 312.461 3.097 20 0 DGADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC000277540376 432859295 /nfs/dbraw/zinc/85/92/95/432859295.db2.gz ZGBCTVUFPNOZKL-UONOGXRCSA-N 2 2 324.432 3.355 20 0 DGADLP COC(=O)C1(C[NH2+]CCCc2c[nH+]ccc2C)CCCCC1 ZINC000278986207 432924410 /nfs/dbraw/zinc/92/44/10/432924410.db2.gz PWRSBMYXPHASJJ-UHFFFAOYSA-N 2 2 304.434 3.036 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000289211372 432933431 /nfs/dbraw/zinc/93/34/31/432933431.db2.gz IPNKIUPKSYNZAA-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000289238887 432937024 /nfs/dbraw/zinc/93/70/24/432937024.db2.gz MPWRXTBTTYGKPK-ARFHVFGLSA-N 2 2 304.409 3.038 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000289238887 432937025 /nfs/dbraw/zinc/93/70/25/432937025.db2.gz MPWRXTBTTYGKPK-ARFHVFGLSA-N 2 2 304.409 3.038 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000288789514 432897294 /nfs/dbraw/zinc/89/72/94/432897294.db2.gz CGHVPNKXFDEKOK-GOSISDBHSA-N 2 2 315.461 3.389 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000349461166 432965274 /nfs/dbraw/zinc/96/52/74/432965274.db2.gz QOXMHKGLAASUBR-PXNSSMCTSA-N 2 2 324.472 3.276 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000349461166 432965278 /nfs/dbraw/zinc/96/52/78/432965278.db2.gz QOXMHKGLAASUBR-PXNSSMCTSA-N 2 2 324.472 3.276 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000349496662 432968755 /nfs/dbraw/zinc/96/87/55/432968755.db2.gz LFWMTWBRTQMZKQ-RDTXWAMCSA-N 2 2 322.880 3.418 20 0 DGADLP CCSc1cccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000349633437 432984516 /nfs/dbraw/zinc/98/45/16/432984516.db2.gz RVFNDCBSQPQTTD-HZPDHXFCSA-N 2 2 322.518 3.388 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CC(COc4ccccc4)C3)cc2)c[nH+]1 ZINC000297298120 432988886 /nfs/dbraw/zinc/98/88/86/432988886.db2.gz BJEZLDGKUUZFQK-UHFFFAOYSA-N 2 2 319.408 3.383 20 0 DGADLP C[C@H](CC[NH2+][C@@H](c1ccccc1)c1cncnc1)[NH+]1CCCCC1 ZINC000349722432 432997153 /nfs/dbraw/zinc/99/71/53/432997153.db2.gz PBOWFKGXBIIMOW-XLIONFOSSA-N 2 2 324.472 3.420 20 0 DGADLP C[C@@H](CC[NH2+][C@H](c1ccccc1)c1cncnc1)[NH+]1CCCCC1 ZINC000349722430 432997226 /nfs/dbraw/zinc/99/72/26/432997226.db2.gz PBOWFKGXBIIMOW-FXAWDEMLSA-N 2 2 324.472 3.420 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000290137946 432999574 /nfs/dbraw/zinc/99/95/74/432999574.db2.gz MGUUMGXJEKXONP-KBPBESRZSA-N 2 2 312.417 3.157 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4ccncc4)C3)cn2)c[nH+]1 ZINC000289415371 432956467 /nfs/dbraw/zinc/95/64/67/432956467.db2.gz UCWMMKXISKUNGV-SFHVURJKSA-N 2 2 319.412 3.042 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4ccncc4)C3)cn2)c[nH+]1 ZINC000289415371 432956470 /nfs/dbraw/zinc/95/64/70/432956470.db2.gz UCWMMKXISKUNGV-SFHVURJKSA-N 2 2 319.412 3.042 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280397082 433045086 /nfs/dbraw/zinc/04/50/86/433045086.db2.gz XIQZATJEBMSPDL-JTDSTZFVSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280397082 433045087 /nfs/dbraw/zinc/04/50/87/433045087.db2.gz XIQZATJEBMSPDL-JTDSTZFVSA-N 2 2 317.477 3.012 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCc4c[nH+]cn4C)C3)nc2c1 ZINC000290159912 433002801 /nfs/dbraw/zinc/00/28/01/433002801.db2.gz XJDYCUKHQWTIIS-OAHLLOKOSA-N 2 2 323.444 3.027 20 0 DGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCc4c[nH+]cn4C)C3)nc2c1 ZINC000290159912 433002804 /nfs/dbraw/zinc/00/28/04/433002804.db2.gz XJDYCUKHQWTIIS-OAHLLOKOSA-N 2 2 323.444 3.027 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@@H+](CCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000290159912 433002807 /nfs/dbraw/zinc/00/28/07/433002807.db2.gz XJDYCUKHQWTIIS-OAHLLOKOSA-N 2 2 323.444 3.027 20 0 DGADLP Cc1ccc2nc([C@@H]3CCC[N@H+](CCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000290159912 433002812 /nfs/dbraw/zinc/00/28/12/433002812.db2.gz XJDYCUKHQWTIIS-OAHLLOKOSA-N 2 2 323.444 3.027 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H]1C ZINC000349756930 433004184 /nfs/dbraw/zinc/00/41/84/433004184.db2.gz JDUCSCHBWRTTFY-GJYPPUQNSA-N 2 2 301.478 3.460 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000341253980 433006331 /nfs/dbraw/zinc/00/63/31/433006331.db2.gz DISBTAJANLVZTP-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341253980 433006334 /nfs/dbraw/zinc/00/63/34/433006334.db2.gz DISBTAJANLVZTP-NXWXRZEISA-N 2 2 302.462 3.054 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000297702614 433008550 /nfs/dbraw/zinc/00/85/50/433008550.db2.gz QMTFWMYBNCWRLT-UHFFFAOYSA-N 2 2 303.837 3.496 20 0 DGADLP c1c(CC[NH2+][C@@H](c2cccnc2)C2CCC2)[nH+]c2ccccn12 ZINC000280179632 433010671 /nfs/dbraw/zinc/01/06/71/433010671.db2.gz CCVUNOFACNHXGW-LJQANCHMSA-N 2 2 306.413 3.403 20 0 DGADLP c1cnn(-c2cccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2)c1 ZINC000349801355 433011356 /nfs/dbraw/zinc/01/13/56/433011356.db2.gz FEJMJUGRTRDTAQ-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000290202038 433011718 /nfs/dbraw/zinc/01/17/18/433011718.db2.gz DAPKXLFBWUXTPS-UHFFFAOYSA-N 2 2 311.429 3.168 20 0 DGADLP CCCc1[nH+]ccn1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000349818151 433014609 /nfs/dbraw/zinc/01/46/09/433014609.db2.gz GQTDOIGJIQOEBC-UHFFFAOYSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1cc([C@@](C)(O)C[NH2+]CCCc2c[nH+]ccc2C)c(C)o1 ZINC000290229144 433016579 /nfs/dbraw/zinc/01/65/79/433016579.db2.gz FSJITRQWWOIVGN-SFHVURJKSA-N 2 2 302.418 3.030 20 0 DGADLP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)OC ZINC000290233533 433018211 /nfs/dbraw/zinc/01/82/11/433018211.db2.gz RYHYZVWXZFRIAT-KRWDZBQOSA-N 2 2 310.869 3.319 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@@H+]1Cc1ccccc1 ZINC000280276144 433026971 /nfs/dbraw/zinc/02/69/71/433026971.db2.gz YFEMLCYQLJGKKU-SUMDDJOVSA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)C[N@H+]1Cc1ccccc1 ZINC000280276144 433026977 /nfs/dbraw/zinc/02/69/77/433026977.db2.gz YFEMLCYQLJGKKU-SUMDDJOVSA-N 2 2 324.472 3.050 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000290288628 433027195 /nfs/dbraw/zinc/02/71/95/433027195.db2.gz MPVFEUMXMPQLIA-BHIYHBOVSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000290288628 433027199 /nfs/dbraw/zinc/02/71/99/433027199.db2.gz MPVFEUMXMPQLIA-BHIYHBOVSA-N 2 2 304.478 3.302 20 0 DGADLP COc1ccc(C[C@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1F ZINC000290335488 433034331 /nfs/dbraw/zinc/03/43/31/433034331.db2.gz FBDPNRIOHRRSIK-HNNXBMFYSA-N 2 2 319.424 3.232 20 0 DGADLP COc1ccc(C[C@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1F ZINC000290335488 433034334 /nfs/dbraw/zinc/03/43/34/433034334.db2.gz FBDPNRIOHRRSIK-HNNXBMFYSA-N 2 2 319.424 3.232 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000350006022 433049180 /nfs/dbraw/zinc/04/91/80/433049180.db2.gz FGGYQSFARWLUTN-FUHWJXTLSA-N 2 2 317.477 3.268 20 0 DGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000350006022 433049181 /nfs/dbraw/zinc/04/91/81/433049181.db2.gz FGGYQSFARWLUTN-FUHWJXTLSA-N 2 2 317.477 3.268 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000290434513 433051848 /nfs/dbraw/zinc/05/18/48/433051848.db2.gz RWCCTEGULOIGDK-RCCFBDPRSA-N 2 2 300.446 3.260 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399853 433046590 /nfs/dbraw/zinc/04/65/90/433046590.db2.gz KIBYPCVVLPXISE-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399853 433046594 /nfs/dbraw/zinc/04/65/94/433046594.db2.gz KIBYPCVVLPXISE-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399853 433046596 /nfs/dbraw/zinc/04/65/96/433046596.db2.gz KIBYPCVVLPXISE-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3Cl)CC[C@H]21 ZINC000290399853 433046600 /nfs/dbraw/zinc/04/66/00/433046600.db2.gz KIBYPCVVLPXISE-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCc1nc2ccccc2n1C ZINC000290453494 433055769 /nfs/dbraw/zinc/05/57/69/433055769.db2.gz SXMPMOSOPSUMET-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)n1C ZINC000419737504 433066020 /nfs/dbraw/zinc/06/60/20/433066020.db2.gz YHOMDUIQCLGMRF-UONOGXRCSA-N 2 2 316.424 3.051 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000453300414 433072704 /nfs/dbraw/zinc/07/27/04/433072704.db2.gz MLJXRWPIASBTEB-QGZVFWFLSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000453300414 433072716 /nfs/dbraw/zinc/07/27/16/433072716.db2.gz MLJXRWPIASBTEB-QGZVFWFLSA-N 2 2 324.472 3.052 20 0 DGADLP Cc1cc(N2CCC([NH+]3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000341468399 433073625 /nfs/dbraw/zinc/07/36/25/433073625.db2.gz FFSQGFCGKSSAAS-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP CC(C)CC[C@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361304771 433089516 /nfs/dbraw/zinc/08/95/16/433089516.db2.gz KQFZXPXGUVQNJC-SFHVURJKSA-N 2 2 307.482 3.172 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3[C@H]4Cc5ccccc5[C@H]43)cc2)c[nH+]1 ZINC000290652924 433129528 /nfs/dbraw/zinc/12/95/28/433129528.db2.gz ZEKQETUEZJAKMS-ZCNNSNEGSA-N 2 2 301.393 3.300 20 0 DGADLP O[C@H](CNc1cc[nH+]c2c(Cl)cccc12)C[NH+]1CCCCC1 ZINC000341557194 433130075 /nfs/dbraw/zinc/13/00/75/433130075.db2.gz BRZWUOGDVOXSAH-CYBMUJFWSA-N 2 2 319.836 3.147 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1OC ZINC000280668814 433130084 /nfs/dbraw/zinc/13/00/84/433130084.db2.gz UAWLRZOAJWEYAT-GJZGRUSLSA-N 2 2 320.477 3.270 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000446930751 433132518 /nfs/dbraw/zinc/13/25/18/433132518.db2.gz XRJCLLCIJJHBSE-KPFFTGBYSA-N 2 2 316.489 3.443 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000446930751 433132525 /nfs/dbraw/zinc/13/25/25/433132525.db2.gz XRJCLLCIJJHBSE-KPFFTGBYSA-N 2 2 316.489 3.443 20 0 DGADLP CC[C@@H](O)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361364956 433132532 /nfs/dbraw/zinc/13/25/32/433132532.db2.gz HBUUFBQPMCYNDQ-QGZVFWFLSA-N 2 2 324.896 3.445 20 0 DGADLP Fc1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2cc1Cl ZINC000420258414 433136197 /nfs/dbraw/zinc/13/61/97/433136197.db2.gz LBANNZCKVDIBNU-MNOVXSKESA-N 2 2 305.784 3.073 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687838 433140527 /nfs/dbraw/zinc/14/05/27/433140527.db2.gz MJOFAGYFIOJTBP-GMXVVIOVSA-N 2 2 324.266 3.120 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420297125 433147897 /nfs/dbraw/zinc/14/78/97/433147897.db2.gz FNDIWZFUVSDGBN-JOYOIKCWSA-N 2 2 315.280 3.265 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000420297125 433147902 /nfs/dbraw/zinc/14/79/02/433147902.db2.gz FNDIWZFUVSDGBN-JOYOIKCWSA-N 2 2 315.280 3.265 20 0 DGADLP C[C@@H]1C[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@@H]1[NH3+] ZINC000420290957 433147921 /nfs/dbraw/zinc/14/79/21/433147921.db2.gz MSTWMMTXGOGLJC-MFKMUULPSA-N 2 2 323.412 3.257 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC[C@@H]1[NH3+] ZINC000420290957 433147930 /nfs/dbraw/zinc/14/79/30/433147930.db2.gz MSTWMMTXGOGLJC-MFKMUULPSA-N 2 2 323.412 3.257 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420293492 433149966 /nfs/dbraw/zinc/14/99/66/433149966.db2.gz RBAVEISMIYRVHO-MRXNPFEDSA-N 2 2 316.836 3.029 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420293492 433149975 /nfs/dbraw/zinc/14/99/75/433149975.db2.gz RBAVEISMIYRVHO-MRXNPFEDSA-N 2 2 316.836 3.029 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000453393860 433150117 /nfs/dbraw/zinc/15/01/17/433150117.db2.gz GNXMQFKQQFYWKV-MJGOQNOKSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000453393860 433150132 /nfs/dbraw/zinc/15/01/32/433150132.db2.gz GNXMQFKQQFYWKV-MJGOQNOKSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393860 433150144 /nfs/dbraw/zinc/15/01/44/433150144.db2.gz GNXMQFKQQFYWKV-MJGOQNOKSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000453393860 433150157 /nfs/dbraw/zinc/15/01/57/433150157.db2.gz GNXMQFKQQFYWKV-MJGOQNOKSA-N 3 2 315.505 3.113 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCOCC2CCCC2)CC1 ZINC000453397578 433153607 /nfs/dbraw/zinc/15/36/07/433153607.db2.gz LXZBUZIJXNSSRS-UHFFFAOYSA-N 2 2 322.415 3.200 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(F)c1 ZINC000446755069 433101403 /nfs/dbraw/zinc/10/14/03/433101403.db2.gz RYOPVCHNSALANB-RKVPGOIHSA-N 2 2 308.441 3.366 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333808881 433107904 /nfs/dbraw/zinc/10/79/04/433107904.db2.gz IWYZQUQDBMRWRU-XVSCRIFDSA-N 3 2 319.537 3.040 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828459 433109992 /nfs/dbraw/zinc/10/99/92/433109992.db2.gz UWONMVBMLNATMC-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000446828459 433110002 /nfs/dbraw/zinc/11/00/02/433110002.db2.gz UWONMVBMLNATMC-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)nn1C ZINC000361342097 433117530 /nfs/dbraw/zinc/11/75/30/433117530.db2.gz TZUNAWAWOXQESP-UHFFFAOYSA-N 2 2 323.444 3.224 20 0 DGADLP COCC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304181 433156928 /nfs/dbraw/zinc/15/69/28/433156928.db2.gz LEBQUUZBJWTDJG-VXGBXAGGSA-N 2 2 304.356 3.062 20 0 DGADLP COCC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420304181 433156936 /nfs/dbraw/zinc/15/69/36/433156936.db2.gz LEBQUUZBJWTDJG-VXGBXAGGSA-N 2 2 304.356 3.062 20 0 DGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000420318389 433158652 /nfs/dbraw/zinc/15/86/52/433158652.db2.gz VYRPKNHMERVLLL-UHFFFAOYSA-N 2 2 323.362 3.451 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000420318389 433158659 /nfs/dbraw/zinc/15/86/59/433158659.db2.gz VYRPKNHMERVLLL-UHFFFAOYSA-N 2 2 323.362 3.451 20 0 DGADLP CCc1ccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)cc1 ZINC000341606746 433164749 /nfs/dbraw/zinc/16/47/49/433164749.db2.gz CBPDXDZTASNTTP-SFHVURJKSA-N 2 2 316.493 3.108 20 0 DGADLP Cc1ccc([C@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)c(C)c1 ZINC000425330945 433168522 /nfs/dbraw/zinc/16/85/22/433168522.db2.gz BHQKIPHUDINSSK-INIZCTEOSA-N 2 2 312.461 3.092 20 0 DGADLP c1cc2c(cccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)[nH]1 ZINC000361440053 433173825 /nfs/dbraw/zinc/17/38/25/433173825.db2.gz MDHDGIKBZWJUAV-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP Cc1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000420356700 433175660 /nfs/dbraw/zinc/17/56/60/433175660.db2.gz GTAVFAGIMIVGJR-MRXNPFEDSA-N 2 2 323.868 3.084 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000420354663 433177942 /nfs/dbraw/zinc/17/79/42/433177942.db2.gz BYLXNICYGOAFOG-IBGZPJMESA-N 2 2 311.429 3.226 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000420354663 433177955 /nfs/dbraw/zinc/17/79/55/433177955.db2.gz BYLXNICYGOAFOG-IBGZPJMESA-N 2 2 311.429 3.226 20 0 DGADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425341340 433177957 /nfs/dbraw/zinc/17/79/57/433177957.db2.gz XAEWVNIYVJDYIF-SFHVURJKSA-N 2 2 312.461 3.440 20 0 DGADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425341340 433177965 /nfs/dbraw/zinc/17/79/65/433177965.db2.gz XAEWVNIYVJDYIF-SFHVURJKSA-N 2 2 312.461 3.440 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453430104 433178862 /nfs/dbraw/zinc/17/88/62/433178862.db2.gz QZHPKLBNRZBANY-QRQLOZEOSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453430104 433178873 /nfs/dbraw/zinc/17/88/73/433178873.db2.gz QZHPKLBNRZBANY-QRQLOZEOSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420365115 433180507 /nfs/dbraw/zinc/18/05/07/433180507.db2.gz PVVGYULQRLSWBE-XJKSGUPXSA-N 2 2 305.466 3.102 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000420365517 433180552 /nfs/dbraw/zinc/18/05/52/433180552.db2.gz QEDRVROIUVDBHM-ZDUSSCGKSA-N 2 2 315.230 3.066 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420365105 433180909 /nfs/dbraw/zinc/18/09/09/433180909.db2.gz PVVGYULQRLSWBE-BBRMVZONSA-N 2 2 305.466 3.102 20 0 DGADLP c1csc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)no2)c1 ZINC000420380538 433187164 /nfs/dbraw/zinc/18/71/64/433187164.db2.gz CDJXDRQLIKMXOZ-DZGCQCFKSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)no2)c1 ZINC000420380538 433187173 /nfs/dbraw/zinc/18/71/73/433187173.db2.gz CDJXDRQLIKMXOZ-DZGCQCFKSA-N 2 2 317.458 3.367 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453440283 433187243 /nfs/dbraw/zinc/18/72/43/433187243.db2.gz WOOXHWMRAJATDY-LQKXBSAESA-N 2 2 306.475 3.041 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453440283 433187251 /nfs/dbraw/zinc/18/72/51/433187251.db2.gz WOOXHWMRAJATDY-LQKXBSAESA-N 2 2 306.475 3.041 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290876894 433196059 /nfs/dbraw/zinc/19/60/59/433196059.db2.gz KNYXNXZVUAPPFW-ZWKOTPCHSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290876894 433196067 /nfs/dbraw/zinc/19/60/67/433196067.db2.gz KNYXNXZVUAPPFW-ZWKOTPCHSA-N 2 2 300.446 3.356 20 0 DGADLP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420398651 433197033 /nfs/dbraw/zinc/19/70/33/433197033.db2.gz NMSFUEUULXUNOD-ZIAGYGMSSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420398651 433197039 /nfs/dbraw/zinc/19/70/39/433197039.db2.gz NMSFUEUULXUNOD-ZIAGYGMSSA-N 2 2 307.507 3.405 20 0 DGADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379580 433216250 /nfs/dbraw/zinc/21/62/50/433216250.db2.gz KPXOSPFVFDHBBI-RDJZCZTQSA-N 2 2 312.461 3.254 20 0 DGADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379580 433216260 /nfs/dbraw/zinc/21/62/60/433216260.db2.gz KPXOSPFVFDHBBI-RDJZCZTQSA-N 2 2 312.461 3.254 20 0 DGADLP C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379572 433217249 /nfs/dbraw/zinc/21/72/49/433217249.db2.gz KPXOSPFVFDHBBI-DOTOQJQBSA-N 2 2 312.461 3.254 20 0 DGADLP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425379572 433217254 /nfs/dbraw/zinc/21/72/54/433217254.db2.gz KPXOSPFVFDHBBI-DOTOQJQBSA-N 2 2 312.461 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1C ZINC000425390836 433219904 /nfs/dbraw/zinc/21/99/04/433219904.db2.gz YYRBEKHDULBPOR-BCDXTJNWSA-N 2 2 324.472 3.397 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1C ZINC000425390836 433219915 /nfs/dbraw/zinc/21/99/15/433219915.db2.gz YYRBEKHDULBPOR-BCDXTJNWSA-N 2 2 324.472 3.397 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000447555906 433228436 /nfs/dbraw/zinc/22/84/36/433228436.db2.gz DLBXPJLNJNEGIW-HUBLWGQQSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000447555906 433228442 /nfs/dbraw/zinc/22/84/42/433228442.db2.gz DLBXPJLNJNEGIW-HUBLWGQQSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000447555909 433228614 /nfs/dbraw/zinc/22/86/14/433228614.db2.gz DLBXPJLNJNEGIW-XUJVJEKNSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000447555909 433228620 /nfs/dbraw/zinc/22/86/20/433228620.db2.gz DLBXPJLNJNEGIW-XUJVJEKNSA-N 2 2 311.267 3.440 20 0 DGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000447564882 433231326 /nfs/dbraw/zinc/23/13/26/433231326.db2.gz ZJRZCDYGNMKKJM-KFWWJZLASA-N 2 2 322.449 3.085 20 0 DGADLP CC[N@H+](C[C@@H](OC)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000425424519 433240486 /nfs/dbraw/zinc/24/04/86/433240486.db2.gz WTTYRELBNYOEKK-GOSISDBHSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](C[C@@H](OC)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000425424519 433240495 /nfs/dbraw/zinc/24/04/95/433240495.db2.gz WTTYRELBNYOEKK-GOSISDBHSA-N 2 2 317.477 3.045 20 0 DGADLP C[C@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000291469573 433244347 /nfs/dbraw/zinc/24/43/47/433244347.db2.gz DTKSFHCKNVKGBE-GFCCVEGCSA-N 2 2 320.234 3.265 20 0 DGADLP C[C@H](C[N@H+]1CCn2c[nH+]cc2C1)c1cccc(Br)c1 ZINC000291469573 433244357 /nfs/dbraw/zinc/24/43/57/433244357.db2.gz DTKSFHCKNVKGBE-GFCCVEGCSA-N 2 2 320.234 3.265 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566362 433247466 /nfs/dbraw/zinc/24/74/66/433247466.db2.gz PZGYRISMNYNHHA-AEFFLSMTSA-N 2 2 318.509 3.231 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566362 433247474 /nfs/dbraw/zinc/24/74/74/433247474.db2.gz PZGYRISMNYNHHA-AEFFLSMTSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566362 433247482 /nfs/dbraw/zinc/24/74/82/433247482.db2.gz PZGYRISMNYNHHA-AEFFLSMTSA-N 2 2 318.509 3.231 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)C[C@H]1C ZINC000361566362 433247488 /nfs/dbraw/zinc/24/74/88/433247488.db2.gz PZGYRISMNYNHHA-AEFFLSMTSA-N 2 2 318.509 3.231 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562274 433248935 /nfs/dbraw/zinc/24/89/35/433248935.db2.gz KOCSEGLRPFUTKW-MRXNPFEDSA-N 2 2 300.446 3.114 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562274 433248941 /nfs/dbraw/zinc/24/89/41/433248941.db2.gz KOCSEGLRPFUTKW-MRXNPFEDSA-N 2 2 300.446 3.114 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562274 433248951 /nfs/dbraw/zinc/24/89/51/433248951.db2.gz KOCSEGLRPFUTKW-MRXNPFEDSA-N 2 2 300.446 3.114 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562274 433248959 /nfs/dbraw/zinc/24/89/59/433248959.db2.gz KOCSEGLRPFUTKW-MRXNPFEDSA-N 2 2 300.446 3.114 20 0 DGADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000337822554 433262926 /nfs/dbraw/zinc/26/29/26/433262926.db2.gz RKVVNHVUPSPNES-UHFFFAOYSA-N 2 2 300.793 3.317 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547272 433264507 /nfs/dbraw/zinc/26/45/07/433264507.db2.gz LWRQQCXUBPXNOB-ABAIWWIYSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547272 433264513 /nfs/dbraw/zinc/26/45/13/433264513.db2.gz LWRQQCXUBPXNOB-ABAIWWIYSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547272 433264524 /nfs/dbraw/zinc/26/45/24/433264524.db2.gz LWRQQCXUBPXNOB-ABAIWWIYSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547272 433264529 /nfs/dbraw/zinc/26/45/29/433264529.db2.gz LWRQQCXUBPXNOB-ABAIWWIYSA-N 2 2 316.367 3.183 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728051 433267840 /nfs/dbraw/zinc/26/78/40/433267840.db2.gz CRFPEZNZGAYIQX-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728051 433267847 /nfs/dbraw/zinc/26/78/47/433267847.db2.gz CRFPEZNZGAYIQX-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728051 433267857 /nfs/dbraw/zinc/26/78/57/433267857.db2.gz CRFPEZNZGAYIQX-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)[C@@H]2C1 ZINC000374728051 433267865 /nfs/dbraw/zinc/26/78/65/433267865.db2.gz CRFPEZNZGAYIQX-CXAGYDPISA-N 2 2 315.848 3.414 20 0 DGADLP c1ccc([C@@H]2CC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420916290 433313841 /nfs/dbraw/zinc/31/38/41/433313841.db2.gz OFUXFYHFEBMPJS-NRFANRHFSA-N 2 2 322.452 3.466 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000374962078 433320060 /nfs/dbraw/zinc/32/00/60/433320060.db2.gz JOKGYGTVEOFISV-ZRNYENFQSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000374962078 433320073 /nfs/dbraw/zinc/32/00/73/433320073.db2.gz JOKGYGTVEOFISV-ZRNYENFQSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000350892848 433322440 /nfs/dbraw/zinc/32/24/40/433322440.db2.gz FBIRZIOTSJVNMV-MDNKFWRPSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000350892848 433322448 /nfs/dbraw/zinc/32/24/48/433322448.db2.gz FBIRZIOTSJVNMV-MDNKFWRPSA-N 2 2 316.489 3.038 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350748554 433274074 /nfs/dbraw/zinc/27/40/74/433274074.db2.gz QLNDMRIXANWXHR-HOTGVXAUSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350748554 433274077 /nfs/dbraw/zinc/27/40/77/433274077.db2.gz QLNDMRIXANWXHR-HOTGVXAUSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000350748554 433274081 /nfs/dbraw/zinc/27/40/81/433274081.db2.gz QLNDMRIXANWXHR-HOTGVXAUSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000350748554 433274088 /nfs/dbraw/zinc/27/40/88/433274088.db2.gz QLNDMRIXANWXHR-HOTGVXAUSA-N 2 2 305.466 3.323 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338201342 433284312 /nfs/dbraw/zinc/28/43/12/433284312.db2.gz ZOKDBEWKOXUVAJ-AHIWAGSCSA-N 2 2 324.415 3.041 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)C[C@H](C)O1 ZINC000338201342 433284317 /nfs/dbraw/zinc/28/43/17/433284317.db2.gz ZOKDBEWKOXUVAJ-AHIWAGSCSA-N 2 2 324.415 3.041 20 0 DGADLP C[N@H+](CCc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899866 433299575 /nfs/dbraw/zinc/29/95/75/433299575.db2.gz GSZQXCOLBDZTFW-UHFFFAOYSA-N 2 2 324.468 3.193 20 0 DGADLP C[N@@H+](CCc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899866 433299584 /nfs/dbraw/zinc/29/95/84/433299584.db2.gz GSZQXCOLBDZTFW-UHFFFAOYSA-N 2 2 324.468 3.193 20 0 DGADLP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835183 433308188 /nfs/dbraw/zinc/30/81/88/433308188.db2.gz MWIOFUNLBFKXSV-IEBWSBKVSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835183 433308199 /nfs/dbraw/zinc/30/81/99/433308199.db2.gz MWIOFUNLBFKXSV-IEBWSBKVSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835183 433308205 /nfs/dbraw/zinc/30/82/05/433308205.db2.gz MWIOFUNLBFKXSV-IEBWSBKVSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835183 433308211 /nfs/dbraw/zinc/30/82/11/433308211.db2.gz MWIOFUNLBFKXSV-IEBWSBKVSA-N 2 2 304.478 3.254 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420907841 433308270 /nfs/dbraw/zinc/30/82/70/433308270.db2.gz VQPOVORMXTVAOJ-QGZVFWFLSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420907841 433308274 /nfs/dbraw/zinc/30/82/74/433308274.db2.gz VQPOVORMXTVAOJ-QGZVFWFLSA-N 2 2 302.462 3.141 20 0 DGADLP C[C@H]1CC[C@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912851 433308444 /nfs/dbraw/zinc/30/84/44/433308444.db2.gz ACQZBFWQXMEGOG-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912851 433308457 /nfs/dbraw/zinc/30/84/57/433308457.db2.gz ACQZBFWQXMEGOG-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H](C)C[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894098 433346798 /nfs/dbraw/zinc/34/67/98/433346798.db2.gz JJKFVJCOQXFTIW-PKOBYXMFSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H](C)C[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894098 433346803 /nfs/dbraw/zinc/34/68/03/433346803.db2.gz JJKFVJCOQXFTIW-PKOBYXMFSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H](C)C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341894098 433346822 /nfs/dbraw/zinc/34/68/22/433346822.db2.gz JJKFVJCOQXFTIW-PKOBYXMFSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@H](C)C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341894098 433346829 /nfs/dbraw/zinc/34/68/29/433346829.db2.gz JJKFVJCOQXFTIW-PKOBYXMFSA-N 2 2 304.478 3.255 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034123 433354865 /nfs/dbraw/zinc/35/48/65/433354865.db2.gz FZVXVZXKJMGYRA-MAUKXSAKSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448034123 433354871 /nfs/dbraw/zinc/35/48/71/433354871.db2.gz FZVXVZXKJMGYRA-MAUKXSAKSA-N 2 2 304.478 3.336 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000299414450 433366646 /nfs/dbraw/zinc/36/66/46/433366646.db2.gz WHLDQUHEVGUIIK-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(N)c2)CC[N@H+]1Cc1ccccc1 ZINC000299414450 433366654 /nfs/dbraw/zinc/36/66/54/433366654.db2.gz WHLDQUHEVGUIIK-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414450 433366662 /nfs/dbraw/zinc/36/66/62/433366662.db2.gz WHLDQUHEVGUIIK-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(N)c2)CC[NH+]1Cc1ccccc1 ZINC000299414450 433366669 /nfs/dbraw/zinc/36/66/69/433366669.db2.gz WHLDQUHEVGUIIK-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C2 ZINC000425922319 433374937 /nfs/dbraw/zinc/37/49/37/433374937.db2.gz QUOCXVACPKBRJR-SJLPKXTDSA-N 2 2 316.489 3.263 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931753 433326727 /nfs/dbraw/zinc/32/67/27/433326727.db2.gz GYCDUEYAQZZKJK-VQIMIIECSA-N 2 2 302.462 3.282 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931753 433326739 /nfs/dbraw/zinc/32/67/39/433326739.db2.gz GYCDUEYAQZZKJK-VQIMIIECSA-N 2 2 302.462 3.282 20 0 DGADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1SC ZINC000374985793 433327610 /nfs/dbraw/zinc/32/76/10/433327610.db2.gz GSEZYLYSXBPCED-UHFFFAOYSA-N 2 2 320.502 3.477 20 0 DGADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1SC ZINC000374985793 433327617 /nfs/dbraw/zinc/32/76/17/433327617.db2.gz GSEZYLYSXBPCED-UHFFFAOYSA-N 2 2 320.502 3.477 20 0 DGADLP COC1(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCC1 ZINC000339080552 433344473 /nfs/dbraw/zinc/34/44/73/433344473.db2.gz BKHXNZVLDOFLAB-UHFFFAOYSA-N 2 2 305.466 3.335 20 0 DGADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000375323537 433427745 /nfs/dbraw/zinc/42/77/45/433427745.db2.gz HMJIQHVBEUFCIQ-UHFFFAOYSA-N 2 2 316.493 3.271 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361769674 433381630 /nfs/dbraw/zinc/38/16/30/433381630.db2.gz GSODZYDDWPBNMX-XGXHKWSGSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361769674 433381640 /nfs/dbraw/zinc/38/16/40/433381640.db2.gz GSODZYDDWPBNMX-XGXHKWSGSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000281820769 433394108 /nfs/dbraw/zinc/39/41/08/433394108.db2.gz ZPIAGAXVVKPBJU-IRXDYDNUSA-N 2 2 301.478 3.490 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361810749 433397744 /nfs/dbraw/zinc/39/77/44/433397744.db2.gz GEZWCHXKMTWNLV-ZMSDIMECSA-N 2 2 301.434 3.320 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000361834790 433411365 /nfs/dbraw/zinc/41/13/65/433411365.db2.gz WOZIDAMFKLMLBL-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000361834790 433411370 /nfs/dbraw/zinc/41/13/70/433411370.db2.gz WOZIDAMFKLMLBL-LJQANCHMSA-N 2 2 313.445 3.428 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)cc2)c[nH+]1 ZINC000375308334 433422070 /nfs/dbraw/zinc/42/20/70/433422070.db2.gz JKHJPOIHNZLGPT-LJQANCHMSA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)cc2)c[nH+]1 ZINC000375308334 433422079 /nfs/dbraw/zinc/42/20/79/433422079.db2.gz JKHJPOIHNZLGPT-LJQANCHMSA-N 2 2 311.429 3.263 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877430 433435445 /nfs/dbraw/zinc/43/54/45/433435445.db2.gz MZHKALANUBCBIT-QAPCUYQASA-N 2 2 316.470 3.036 20 0 DGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000361877430 433435453 /nfs/dbraw/zinc/43/54/53/433435453.db2.gz MZHKALANUBCBIT-QAPCUYQASA-N 2 2 316.470 3.036 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000339210097 433437887 /nfs/dbraw/zinc/43/78/87/433437887.db2.gz LVEXDSYVBSXURV-ULQDDVLXSA-N 2 2 321.465 3.011 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179097 433446283 /nfs/dbraw/zinc/44/62/83/433446283.db2.gz LEPWEFIRXYJGTB-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414179097 433446288 /nfs/dbraw/zinc/44/62/88/433446288.db2.gz LEPWEFIRXYJGTB-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000414200154 433456806 /nfs/dbraw/zinc/45/68/06/433456806.db2.gz AWDYUPRDEBYQDQ-MAUKXSAKSA-N 2 2 304.482 3.036 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423042206 290031555 /nfs/dbraw/zinc/03/15/55/290031555.db2.gz KNRCSRXHSVMAHQ-HZVDNRATSA-N 3 2 313.489 3.374 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042206 290031556 /nfs/dbraw/zinc/03/15/56/290031556.db2.gz KNRCSRXHSVMAHQ-HZVDNRATSA-N 3 2 313.489 3.374 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000414229834 433469943 /nfs/dbraw/zinc/46/99/43/433469943.db2.gz FQPXKHPZNWWUGV-GJJHYRHESA-N 2 2 316.489 3.300 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000414229834 433469949 /nfs/dbraw/zinc/46/99/49/433469949.db2.gz FQPXKHPZNWWUGV-GJJHYRHESA-N 2 2 316.489 3.300 20 0 DGADLP CC[C@@H](C)c1nnc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)[nH]1 ZINC000355123197 433476489 /nfs/dbraw/zinc/47/64/89/433476489.db2.gz MZHKPGBKUSPHLN-OCCSQVGLSA-N 2 2 301.438 3.305 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CCC1 ZINC000342126718 433485080 /nfs/dbraw/zinc/48/50/80/433485080.db2.gz DYVYRZIDCQPMCV-UHFFFAOYSA-N 2 2 307.850 3.435 20 0 DGADLP Clc1ccc([C@H]2CN(CCCn3cc[nH+]c3)CCO2)s1 ZINC000361984329 433479314 /nfs/dbraw/zinc/47/93/14/433479314.db2.gz BBMLEVPWOSEOQJ-GFCCVEGCSA-N 2 2 311.838 3.062 20 0 DGADLP Clc1ccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)s1 ZINC000361984329 433479320 /nfs/dbraw/zinc/47/93/20/433479320.db2.gz BBMLEVPWOSEOQJ-GFCCVEGCSA-N 2 2 311.838 3.062 20 0 DGADLP Clc1ccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)s1 ZINC000361984329 433479324 /nfs/dbraw/zinc/47/93/24/433479324.db2.gz BBMLEVPWOSEOQJ-GFCCVEGCSA-N 2 2 311.838 3.062 20 0 DGADLP c1cc2cc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2[nH]1 ZINC000282154185 433512741 /nfs/dbraw/zinc/51/27/41/433512741.db2.gz CWYRXBGKBHGFDG-UHFFFAOYSA-N 2 2 320.440 3.364 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286911 433512937 /nfs/dbraw/zinc/51/29/37/433512937.db2.gz NSQUAQFSCPBLAQ-DZOHQFGASA-N 2 2 305.441 3.162 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1F ZINC000414286911 433512943 /nfs/dbraw/zinc/51/29/43/433512943.db2.gz NSQUAQFSCPBLAQ-DZOHQFGASA-N 2 2 305.441 3.162 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000351470688 433517557 /nfs/dbraw/zinc/51/75/57/433517557.db2.gz FFOHIQRJVLKSBU-ZDUSSCGKSA-N 2 2 323.190 3.090 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000351470688 433517562 /nfs/dbraw/zinc/51/75/62/433517562.db2.gz FFOHIQRJVLKSBU-ZDUSSCGKSA-N 2 2 323.190 3.090 20 0 DGADLP CCc1[nH+]c2ccccc2n1Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339358989 433531904 /nfs/dbraw/zinc/53/19/04/433531904.db2.gz GHSABJWVLZIVBW-GFCCVEGCSA-N 2 2 313.405 3.076 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)s1 ZINC000355203383 433532132 /nfs/dbraw/zinc/53/21/32/433532132.db2.gz FERSXEGGMQXXNI-MRVWCRGKSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)s1 ZINC000355203383 433532138 /nfs/dbraw/zinc/53/21/38/433532138.db2.gz FERSXEGGMQXXNI-MRVWCRGKSA-N 2 2 314.882 3.085 20 0 DGADLP CCc1nocc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000339279744 433491088 /nfs/dbraw/zinc/49/10/88/433491088.db2.gz POJSSWSDKQUWCV-CXAGYDPISA-N 2 2 319.474 3.471 20 0 DGADLP CCCc1csc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000426411410 433493570 /nfs/dbraw/zinc/49/35/70/433493570.db2.gz PKLDADARZMNDBP-OAHLLOKOSA-N 2 2 304.463 3.265 20 0 DGADLP CCCc1csc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000426411410 433493579 /nfs/dbraw/zinc/49/35/79/433493579.db2.gz PKLDADARZMNDBP-OAHLLOKOSA-N 2 2 304.463 3.265 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccnc2)CC1 ZINC000301297844 433494019 /nfs/dbraw/zinc/49/40/19/433494019.db2.gz WKIQVMCMTJJLAI-UHFFFAOYSA-N 2 2 322.387 3.091 20 0 DGADLP CCc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000342233545 433556654 /nfs/dbraw/zinc/55/66/54/433556654.db2.gz QHZKNIUDZXXLNY-IRXDYDNUSA-N 2 2 316.493 3.438 20 0 DGADLP CCc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000342233545 433556661 /nfs/dbraw/zinc/55/66/61/433556661.db2.gz QHZKNIUDZXXLNY-IRXDYDNUSA-N 2 2 316.493 3.438 20 0 DGADLP CC[C@H](CSc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414362252 433571039 /nfs/dbraw/zinc/57/10/39/433571039.db2.gz DSCGLUAJNVTKAY-CQSZACIVSA-N 2 2 318.490 3.147 20 0 DGADLP CSC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000292511140 433577036 /nfs/dbraw/zinc/57/70/36/433577036.db2.gz VOFLBXCRZPZIFZ-MRXNPFEDSA-N 2 2 301.459 3.447 20 0 DGADLP CSC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000292511140 433577042 /nfs/dbraw/zinc/57/70/42/433577042.db2.gz VOFLBXCRZPZIFZ-MRXNPFEDSA-N 2 2 301.459 3.447 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565343 433580517 /nfs/dbraw/zinc/58/05/17/433580517.db2.gz WJSZZRZSYJIYSS-PKOBYXMFSA-N 2 2 302.462 3.107 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565343 433580527 /nfs/dbraw/zinc/58/05/27/433580527.db2.gz WJSZZRZSYJIYSS-PKOBYXMFSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565343 433580540 /nfs/dbraw/zinc/58/05/40/433580540.db2.gz WJSZZRZSYJIYSS-PKOBYXMFSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1OCCc2ccccc21 ZINC000351565343 433580552 /nfs/dbraw/zinc/58/05/52/433580552.db2.gz WJSZZRZSYJIYSS-PKOBYXMFSA-N 2 2 302.462 3.107 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342215086 433541842 /nfs/dbraw/zinc/54/18/42/433541842.db2.gz JTIXONSQTQPWCZ-INIZCTEOSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000342215086 433541852 /nfs/dbraw/zinc/54/18/52/433541852.db2.gz JTIXONSQTQPWCZ-INIZCTEOSA-N 2 2 310.445 3.058 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326606 433548057 /nfs/dbraw/zinc/54/80/57/433548057.db2.gz ASSMSILLFBJMAL-DZOHQFGASA-N 2 2 311.429 3.031 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326606 433548068 /nfs/dbraw/zinc/54/80/68/433548068.db2.gz ASSMSILLFBJMAL-DZOHQFGASA-N 2 2 311.429 3.031 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)CCO1 ZINC000362295195 433629291 /nfs/dbraw/zinc/62/92/91/433629291.db2.gz KRSJXLLWUXPAOP-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)CCO1 ZINC000362295195 433629295 /nfs/dbraw/zinc/62/92/95/433629295.db2.gz KRSJXLLWUXPAOP-HNNXBMFYSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)CCO1 ZINC000362295196 433629898 /nfs/dbraw/zinc/62/98/98/433629898.db2.gz KRSJXLLWUXPAOP-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)CCO1 ZINC000362295196 433629905 /nfs/dbraw/zinc/62/99/05/433629905.db2.gz KRSJXLLWUXPAOP-OAHLLOKOSA-N 2 2 322.880 3.068 20 0 DGADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000293152943 433633963 /nfs/dbraw/zinc/63/39/63/433633963.db2.gz VBURROJKOOIUCS-SFHVURJKSA-N 2 2 322.880 3.319 20 0 DGADLP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000351650533 433636415 /nfs/dbraw/zinc/63/64/15/433636415.db2.gz WZKGNRMCZBNCNS-KRWDZBQOSA-N 2 2 320.477 3.400 20 0 DGADLP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000351650533 433636424 /nfs/dbraw/zinc/63/64/24/433636424.db2.gz WZKGNRMCZBNCNS-KRWDZBQOSA-N 2 2 320.477 3.400 20 0 DGADLP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OC)cc1OC ZINC000351650533 433636432 /nfs/dbraw/zinc/63/64/32/433636432.db2.gz WZKGNRMCZBNCNS-KRWDZBQOSA-N 2 2 320.477 3.400 20 0 DGADLP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1OC ZINC000351650533 433636441 /nfs/dbraw/zinc/63/64/41/433636441.db2.gz WZKGNRMCZBNCNS-KRWDZBQOSA-N 2 2 320.477 3.400 20 0 DGADLP CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000351650534 433636773 /nfs/dbraw/zinc/63/67/73/433636773.db2.gz WZKGNRMCZBNCNS-QGZVFWFLSA-N 2 2 320.477 3.400 20 0 DGADLP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000351650534 433636784 /nfs/dbraw/zinc/63/67/84/433636784.db2.gz WZKGNRMCZBNCNS-QGZVFWFLSA-N 2 2 320.477 3.400 20 0 DGADLP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OC)cc1OC ZINC000351650534 433636789 /nfs/dbraw/zinc/63/67/89/433636789.db2.gz WZKGNRMCZBNCNS-QGZVFWFLSA-N 2 2 320.477 3.400 20 0 DGADLP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1OC ZINC000351650534 433636799 /nfs/dbraw/zinc/63/67/99/433636799.db2.gz WZKGNRMCZBNCNS-QGZVFWFLSA-N 2 2 320.477 3.400 20 0 DGADLP Fc1cc(C[NH2+]Cc2cccc3[nH+]ccn32)ccc1OC(F)F ZINC000339523707 433637263 /nfs/dbraw/zinc/63/72/63/433637263.db2.gz BTEIBHKQZXMJQM-UHFFFAOYSA-N 2 2 321.302 3.365 20 0 DGADLP CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000293174844 433640383 /nfs/dbraw/zinc/64/03/83/433640383.db2.gz VOWJLUVRVDIGNC-LJQANCHMSA-N 2 2 313.445 3.103 20 0 DGADLP CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000293174844 433640395 /nfs/dbraw/zinc/64/03/95/433640395.db2.gz VOWJLUVRVDIGNC-LJQANCHMSA-N 2 2 313.445 3.103 20 0 DGADLP Cc1ccccc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163032356 292862220 /nfs/dbraw/zinc/86/22/20/292862220.db2.gz NUCZPSSWBCSBME-UHFFFAOYSA-N 2 2 316.368 3.131 20 0 DGADLP Cc1noc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000356530569 433605418 /nfs/dbraw/zinc/60/54/18/433605418.db2.gz QOHTYDQNSCCSPQ-AWEZNQCLSA-N 2 2 314.433 3.215 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000301643308 433653458 /nfs/dbraw/zinc/65/34/58/433653458.db2.gz OHIIGKSJLGTJLC-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427122561 433654436 /nfs/dbraw/zinc/65/44/36/433654436.db2.gz CMXFQQRFQKVXOT-UYAOXDASSA-N 2 2 322.452 3.449 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427122561 433654444 /nfs/dbraw/zinc/65/44/44/433654444.db2.gz CMXFQQRFQKVXOT-UYAOXDASSA-N 2 2 322.452 3.449 20 0 DGADLP CC[NH+](CC)[C@@H](CNc1nc(C)[nH+]c(C)c1C)c1ccco1 ZINC000301674801 433668952 /nfs/dbraw/zinc/66/89/52/433668952.db2.gz GYCPCLWLCQWXOL-HNNXBMFYSA-N 2 2 302.422 3.490 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700014 433673097 /nfs/dbraw/zinc/67/30/97/433673097.db2.gz HSDJFGRXTCSYKF-INIZCTEOSA-N 2 2 319.493 3.423 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351700014 433673110 /nfs/dbraw/zinc/67/31/10/433673110.db2.gz HSDJFGRXTCSYKF-INIZCTEOSA-N 2 2 319.493 3.423 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393645 433689139 /nfs/dbraw/zinc/68/91/39/433689139.db2.gz TVEVSZLEIQBJNQ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393645 433689150 /nfs/dbraw/zinc/68/91/50/433689150.db2.gz TVEVSZLEIQBJNQ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393645 433689162 /nfs/dbraw/zinc/68/91/62/433689162.db2.gz TVEVSZLEIQBJNQ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000362393645 433689175 /nfs/dbraw/zinc/68/91/75/433689175.db2.gz TVEVSZLEIQBJNQ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301637434 433650979 /nfs/dbraw/zinc/65/09/79/433650979.db2.gz LWKBJSAPAQRKJK-HNNXBMFYSA-N 2 2 309.344 3.427 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366943561 293007015 /nfs/dbraw/zinc/00/70/15/293007015.db2.gz LNPHVLOISLZGHF-MOPGFXCFSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366943561 293007018 /nfs/dbraw/zinc/00/70/18/293007018.db2.gz LNPHVLOISLZGHF-MOPGFXCFSA-N 2 2 311.429 3.324 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427102073 433651769 /nfs/dbraw/zinc/65/17/69/433651769.db2.gz RIWZZGMPXNVYEK-QFBILLFUSA-N 2 2 324.472 3.180 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427102073 433651780 /nfs/dbraw/zinc/65/17/80/433651780.db2.gz RIWZZGMPXNVYEK-QFBILLFUSA-N 2 2 324.472 3.180 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367057702 293018245 /nfs/dbraw/zinc/01/82/45/293018245.db2.gz MCCMMARHORZOPD-PKOBYXMFSA-N 2 2 301.478 3.429 20 0 DGADLP c1ccc([C@@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000367259593 293044883 /nfs/dbraw/zinc/04/48/83/293044883.db2.gz IXVKMZFIFVDUOH-MOPGFXCFSA-N 2 2 314.473 3.372 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC12CCOCC2 ZINC000367378043 293064410 /nfs/dbraw/zinc/06/44/10/293064410.db2.gz OEMGVBJNTRQZBG-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC12CCOCC2 ZINC000367378043 293064412 /nfs/dbraw/zinc/06/44/12/293064412.db2.gz OEMGVBJNTRQZBG-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC12CCOCC2 ZINC000367378044 293064547 /nfs/dbraw/zinc/06/45/47/293064547.db2.gz OEMGVBJNTRQZBG-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC12CCOCC2 ZINC000367378044 293064549 /nfs/dbraw/zinc/06/45/49/293064549.db2.gz OEMGVBJNTRQZBG-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP Fc1ccc(O[C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000368164452 293098501 /nfs/dbraw/zinc/09/85/01/293098501.db2.gz UQRIZSIBBOEHRL-QGZVFWFLSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000368164452 293098503 /nfs/dbraw/zinc/09/85/03/293098503.db2.gz UQRIZSIBBOEHRL-QGZVFWFLSA-N 2 2 311.360 3.127 20 0 DGADLP Cc1nc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)oc1C ZINC000369898692 293144830 /nfs/dbraw/zinc/14/48/30/293144830.db2.gz AOXTVHMZSJPPGX-OAHLLOKOSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1nc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)oc1C ZINC000369898692 293144831 /nfs/dbraw/zinc/14/48/31/293144831.db2.gz AOXTVHMZSJPPGX-OAHLLOKOSA-N 2 2 300.406 3.071 20 0 DGADLP CCn1nc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c2ccccc21 ZINC000370372672 293171038 /nfs/dbraw/zinc/17/10/38/293171038.db2.gz CBWVLLFFZFWGNF-OAHLLOKOSA-N 2 2 323.444 3.228 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C[N@@H+]1Cc1ccccc1 ZINC000370431258 293174608 /nfs/dbraw/zinc/17/46/08/293174608.db2.gz SKDXEHJEOVBRDO-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C[N@H+]1Cc1ccccc1 ZINC000370431258 293174611 /nfs/dbraw/zinc/17/46/11/293174611.db2.gz SKDXEHJEOVBRDO-QYZOEREBSA-N 2 2 316.489 3.180 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)c[nH+]1 ZINC000414546631 433707345 /nfs/dbraw/zinc/70/73/45/433707345.db2.gz YJTJQUOINWHZRS-GOSISDBHSA-N 2 2 302.462 3.460 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c[nH+]1 ZINC000414546631 433707353 /nfs/dbraw/zinc/70/73/53/433707353.db2.gz YJTJQUOINWHZRS-GOSISDBHSA-N 2 2 302.462 3.460 20 0 DGADLP Nc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)[nH+]c2ccccc12 ZINC000301753846 433707687 /nfs/dbraw/zinc/70/76/87/433707687.db2.gz CEWDBMCXIZITTI-OAHLLOKOSA-N 2 2 323.400 3.054 20 0 DGADLP FC(F)(F)c1cccc([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000372350386 293237621 /nfs/dbraw/zinc/23/76/21/293237621.db2.gz RNYQYIHLIBNOMI-AWEZNQCLSA-N 2 2 309.335 3.391 20 0 DGADLP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000372350386 293237624 /nfs/dbraw/zinc/23/76/24/293237624.db2.gz RNYQYIHLIBNOMI-AWEZNQCLSA-N 2 2 309.335 3.391 20 0 DGADLP Fc1cccc2c3c([nH]c21)C[N@@H+](CCCn1cc[nH+]c1)CCC3 ZINC000374075187 293349633 /nfs/dbraw/zinc/34/96/33/293349633.db2.gz QTQGSCPLZGDWBT-UHFFFAOYSA-N 2 2 312.392 3.342 20 0 DGADLP Fc1cccc2c3c([nH]c21)C[N@H+](CCCn1cc[nH+]c1)CCC3 ZINC000374075187 293349636 /nfs/dbraw/zinc/34/96/36/293349636.db2.gz QTQGSCPLZGDWBT-UHFFFAOYSA-N 2 2 312.392 3.342 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1Cl ZINC000374423850 293398472 /nfs/dbraw/zinc/39/84/72/293398472.db2.gz XXTVOCYXVVHFTD-PVAVHDDUSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1Cl ZINC000374423850 293398473 /nfs/dbraw/zinc/39/84/73/293398473.db2.gz XXTVOCYXVVHFTD-PVAVHDDUSA-N 2 2 308.853 3.024 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCOC1 ZINC000356844269 433728375 /nfs/dbraw/zinc/72/83/75/433728375.db2.gz HPHYSWMNJFPYBD-WDSOQIARSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCOC1 ZINC000356844269 433728391 /nfs/dbraw/zinc/72/83/91/433728391.db2.gz HPHYSWMNJFPYBD-WDSOQIARSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421821754 433742992 /nfs/dbraw/zinc/74/29/92/433742992.db2.gz TXJSUVKHPODCPV-KRWDZBQOSA-N 2 2 320.440 3.277 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@@H+]1CCCC[C@H]1C ZINC000421820982 433744705 /nfs/dbraw/zinc/74/47/05/433744705.db2.gz OSHAMZKSUCIGHB-NUJGCVRESA-N 2 2 301.478 3.182 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)[N@H+]1CCCC[C@H]1C ZINC000421820982 433744711 /nfs/dbraw/zinc/74/47/11/433744711.db2.gz OSHAMZKSUCIGHB-NUJGCVRESA-N 2 2 301.478 3.182 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000351848204 433753145 /nfs/dbraw/zinc/75/31/45/433753145.db2.gz CNIDWIUJWRDARX-CZUORRHYSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000351848204 433753156 /nfs/dbraw/zinc/75/31/56/433753156.db2.gz CNIDWIUJWRDARX-CZUORRHYSA-N 2 2 314.433 3.029 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OCC ZINC000414770558 433823610 /nfs/dbraw/zinc/82/36/10/433823610.db2.gz PALYWUWNCPXSHN-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OCC ZINC000414770558 433823620 /nfs/dbraw/zinc/82/36/20/433823620.db2.gz PALYWUWNCPXSHN-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000414657322 433775457 /nfs/dbraw/zinc/77/54/57/433775457.db2.gz OHNIDWWYCXRNQH-UGSOOPFHSA-N 2 2 316.424 3.022 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000414657322 433775466 /nfs/dbraw/zinc/77/54/66/433775466.db2.gz OHNIDWWYCXRNQH-UGSOOPFHSA-N 2 2 316.424 3.022 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)s1 ZINC000449764059 433779457 /nfs/dbraw/zinc/77/94/57/433779457.db2.gz YATKQLVMIJGKDD-RPCCPQHDSA-N 2 2 305.491 3.073 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)s1 ZINC000449764059 433779462 /nfs/dbraw/zinc/77/94/62/433779462.db2.gz YATKQLVMIJGKDD-RPCCPQHDSA-N 2 2 305.491 3.073 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1cccc(CO)c1 ZINC000376731281 433803567 /nfs/dbraw/zinc/80/35/67/433803567.db2.gz YEMJOTXQCCUCIB-XGHQBKJUSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccc(CO)c1 ZINC000376731281 433803572 /nfs/dbraw/zinc/80/35/72/433803572.db2.gz YEMJOTXQCCUCIB-XGHQBKJUSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343482177 433810382 /nfs/dbraw/zinc/81/03/82/433810382.db2.gz VGFKMBPVDTUXQM-OAFZBRQQSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000343482177 433810387 /nfs/dbraw/zinc/81/03/87/433810387.db2.gz VGFKMBPVDTUXQM-OAFZBRQQSA-N 2 2 302.462 3.324 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1Cl ZINC000432243781 433821794 /nfs/dbraw/zinc/82/17/94/433821794.db2.gz ADDMUDOMGZTPBY-SNVBAGLBSA-N 2 2 314.191 3.434 20 0 DGADLP [NH3+]C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000414836691 433873698 /nfs/dbraw/zinc/87/36/98/433873698.db2.gz IVMBQAYSHHYEIS-FQEVSTJZSA-N 3 2 315.505 3.148 20 0 DGADLP COc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1OC(C)C ZINC000414840556 433874079 /nfs/dbraw/zinc/87/40/79/433874079.db2.gz XGKJEPCHOXHYRC-KRWDZBQOSA-N 2 2 314.429 3.272 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000414841330 433877064 /nfs/dbraw/zinc/87/70/64/433877064.db2.gz HVJNYXJNVARBIG-GOSISDBHSA-N 2 2 302.393 3.444 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713244 433828647 /nfs/dbraw/zinc/82/86/47/433828647.db2.gz ZIJJUFPRFUONHQ-VQIMIIECSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CCOCC1 ZINC000362713244 433828655 /nfs/dbraw/zinc/82/86/55/433828655.db2.gz ZIJJUFPRFUONHQ-VQIMIIECSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cn1 ZINC000414797058 433843137 /nfs/dbraw/zinc/84/31/37/433843137.db2.gz AOMXGKNXPFFEJC-UHFFFAOYSA-N 2 2 318.509 3.328 20 0 DGADLP CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613053 433877830 /nfs/dbraw/zinc/87/78/30/433877830.db2.gz IQKQRNGZLARNOK-KRWDZBQOSA-N 2 2 317.477 3.014 20 0 DGADLP CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613053 433877843 /nfs/dbraw/zinc/87/78/43/433877843.db2.gz IQKQRNGZLARNOK-KRWDZBQOSA-N 2 2 317.477 3.014 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1Cl ZINC000414804332 433850470 /nfs/dbraw/zinc/85/04/70/433850470.db2.gz XGWPSJHOOWHOOE-LBPRGKRZSA-N 2 2 305.647 3.175 20 0 DGADLP C[NH+](C)CCCC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000352011333 433856766 /nfs/dbraw/zinc/85/67/66/433856766.db2.gz QFYJMGOGVAXYIE-UHFFFAOYSA-N 2 2 301.887 3.350 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000414820021 433859568 /nfs/dbraw/zinc/85/95/68/433859568.db2.gz BMIYLJAUVBJSHZ-UHFFFAOYSA-N 2 2 320.458 3.035 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000414818222 433859725 /nfs/dbraw/zinc/85/97/25/433859725.db2.gz VBQNCVJUCLTFSP-INIZCTEOSA-N 2 2 320.868 3.441 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357101840 433864215 /nfs/dbraw/zinc/86/42/15/433864215.db2.gz FEALVQAGFJJIST-IAGOWNOFSA-N 2 2 324.472 3.037 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357101840 433864227 /nfs/dbraw/zinc/86/42/27/433864227.db2.gz FEALVQAGFJJIST-IAGOWNOFSA-N 2 2 324.472 3.037 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357101839 433865546 /nfs/dbraw/zinc/86/55/46/433865546.db2.gz FEALVQAGFJJIST-DLBZAZTESA-N 2 2 324.472 3.037 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357101839 433865552 /nfs/dbraw/zinc/86/55/52/433865552.db2.gz FEALVQAGFJJIST-DLBZAZTESA-N 2 2 324.472 3.037 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799996 433866369 /nfs/dbraw/zinc/86/63/69/433866369.db2.gz ATGTVXUCJQYGMB-GUYCJALGSA-N 2 2 311.385 3.010 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000362799996 433866380 /nfs/dbraw/zinc/86/63/80/433866380.db2.gz ATGTVXUCJQYGMB-GUYCJALGSA-N 2 2 311.385 3.010 20 0 DGADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccc(F)cc1 ZINC000434659620 433866424 /nfs/dbraw/zinc/86/64/24/433866424.db2.gz SAYNVLFCPPWTPG-UHFFFAOYSA-N 2 2 305.422 3.181 20 0 DGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414874203 433896862 /nfs/dbraw/zinc/89/68/62/433896862.db2.gz YSPGRPNDHACDNG-MRXNPFEDSA-N 2 2 312.461 3.011 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2sccc2C)cc1 ZINC000414884328 433901422 /nfs/dbraw/zinc/90/14/22/433901422.db2.gz NROJDMPJLLIIPH-IAGOWNOFSA-N 2 2 316.470 3.300 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)C1CC1 ZINC000414899133 433903930 /nfs/dbraw/zinc/90/39/30/433903930.db2.gz UFRHRPWAZOCPRN-MRXNPFEDSA-N 2 2 308.853 3.488 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCC[NH2+]C1 ZINC000414904530 433909446 /nfs/dbraw/zinc/90/94/46/433909446.db2.gz KCSNRIBDKBCLBS-QGZVFWFLSA-N 2 2 301.459 3.289 20 0 DGADLP Fc1cccc2[nH]c(C[NH2+]CCc3cn4ccccc4[nH+]3)cc21 ZINC000436235661 433912732 /nfs/dbraw/zinc/91/27/32/433912732.db2.gz AWUSOTRGWNQPCF-UHFFFAOYSA-N 2 2 308.360 3.287 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414922359 433915335 /nfs/dbraw/zinc/91/53/35/433915335.db2.gz FZGDXBNHZNQWSD-NOZJJQNGSA-N 2 2 306.759 3.446 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3[NH2+]CCCC3(C)C)s2)cn1 ZINC000414930237 433920565 /nfs/dbraw/zinc/92/05/65/433920565.db2.gz PPWSZHVAKIDLOM-INIZCTEOSA-N 2 2 318.490 3.016 20 0 DGADLP CC[C@H](C)[N@H+](C)CCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357241598 433923144 /nfs/dbraw/zinc/92/31/44/433923144.db2.gz URAIZRGGFDCIFX-ZDUSSCGKSA-N 2 2 319.424 3.084 20 0 DGADLP CC[C@H](C)[N@@H+](C)CCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357241598 433923151 /nfs/dbraw/zinc/92/31/51/433923151.db2.gz URAIZRGGFDCIFX-ZDUSSCGKSA-N 2 2 319.424 3.084 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000303233552 433923443 /nfs/dbraw/zinc/92/34/43/433923443.db2.gz XRNQGHNLBWRYSC-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000303233552 433923452 /nfs/dbraw/zinc/92/34/52/433923452.db2.gz XRNQGHNLBWRYSC-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414938150 433925446 /nfs/dbraw/zinc/92/54/46/433925446.db2.gz DXHYTYJCWSBIQX-QAPCUYQASA-N 2 2 312.461 3.226 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436293629 433927455 /nfs/dbraw/zinc/92/74/55/433927455.db2.gz OSNCFBJCEGJLHC-NEWSRXKRSA-N 3 2 307.526 3.103 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000436293629 433927464 /nfs/dbraw/zinc/92/74/64/433927464.db2.gz OSNCFBJCEGJLHC-NEWSRXKRSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293629 433927472 /nfs/dbraw/zinc/92/74/72/433927472.db2.gz OSNCFBJCEGJLHC-NEWSRXKRSA-N 3 2 307.526 3.103 20 0 DGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000436293629 433927480 /nfs/dbraw/zinc/92/74/80/433927480.db2.gz OSNCFBJCEGJLHC-NEWSRXKRSA-N 3 2 307.526 3.103 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000414943237 433929219 /nfs/dbraw/zinc/92/92/19/433929219.db2.gz CSAXOQRDJAVMSR-PKOBYXMFSA-N 2 2 312.844 3.284 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414944596 433929859 /nfs/dbraw/zinc/92/98/59/433929859.db2.gz HCDADGSUQYMBKV-WPRPVWTQSA-N 2 2 303.269 3.049 20 0 DGADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414951758 433933602 /nfs/dbraw/zinc/93/36/02/433933602.db2.gz HENQRQILBJIOEV-FQEVSTJZSA-N 2 2 310.441 3.450 20 0 DGADLP CCOc1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414844741 433878960 /nfs/dbraw/zinc/87/89/60/433878960.db2.gz LHCXQINXMXVDJM-SFHVURJKSA-N 2 2 313.445 3.393 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000435876775 433880428 /nfs/dbraw/zinc/88/04/28/433880428.db2.gz KLCRIISRTDRZSS-QGZVFWFLSA-N 2 2 300.450 3.364 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000435876775 433880437 /nfs/dbraw/zinc/88/04/37/433880437.db2.gz KLCRIISRTDRZSS-QGZVFWFLSA-N 2 2 300.450 3.364 20 0 DGADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccnc1 ZINC000436044811 433881937 /nfs/dbraw/zinc/88/19/37/433881937.db2.gz CJGPTSRRROLOHE-LSDHHAIUSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccnc1 ZINC000436044811 433881942 /nfs/dbraw/zinc/88/19/42/433881942.db2.gz CJGPTSRRROLOHE-LSDHHAIUSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C34CCC[NH+]3CCC4)c2)[nH+]c1C ZINC000377808333 293715135 /nfs/dbraw/zinc/71/51/35/293715135.db2.gz XPLFKQZIIBZWRX-UHFFFAOYSA-N 2 2 324.428 3.260 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861761 433892892 /nfs/dbraw/zinc/89/28/92/433892892.db2.gz WTUXXSZPJINOGS-LCLWPZTBSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000414861761 433892895 /nfs/dbraw/zinc/89/28/95/433892895.db2.gz WTUXXSZPJINOGS-LCLWPZTBSA-N 3 2 315.505 3.017 20 0 DGADLP CC[NH2+]Cc1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000414874590 433894373 /nfs/dbraw/zinc/89/43/73/433894373.db2.gz YSGPSPCJXSYKDP-UHFFFAOYSA-N 2 2 312.339 3.167 20 0 DGADLP CCCC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(OC)cc1 ZINC000422701424 433942207 /nfs/dbraw/zinc/94/22/07/433942207.db2.gz BXYJIRPYLGFAFM-AYBZRNKSSA-N 2 2 320.477 3.283 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1c[nH+]ccc1N ZINC000422726938 433949811 /nfs/dbraw/zinc/94/98/11/433949811.db2.gz AWVXVDXDGUHCMN-CZUORRHYSA-N 2 2 316.474 3.043 20 0 DGADLP C[C@@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422726938 433949820 /nfs/dbraw/zinc/94/98/20/433949820.db2.gz AWVXVDXDGUHCMN-CZUORRHYSA-N 2 2 316.474 3.043 20 0 DGADLP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422725692 433949937 /nfs/dbraw/zinc/94/99/37/433949937.db2.gz YODHSGTZDJESML-MAUKXSAKSA-N 2 2 317.477 3.291 20 0 DGADLP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422725691 433950423 /nfs/dbraw/zinc/95/04/23/433950423.db2.gz YODHSGTZDJESML-CRAIPNDOSA-N 2 2 317.477 3.291 20 0 DGADLP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1OC1CCCC1 ZINC000422727574 433956323 /nfs/dbraw/zinc/95/63/23/433956323.db2.gz HMFCSXTVHIKDGD-PBHICJAKSA-N 2 2 318.461 3.104 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422734977 433961501 /nfs/dbraw/zinc/96/15/01/433961501.db2.gz VGTSVKHYEOMTJN-DUXKGJEZSA-N 2 2 324.468 3.441 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1nnc2ccccn21 ZINC000422743069 433966743 /nfs/dbraw/zinc/96/67/43/433966743.db2.gz QWCGZARQJNPIAC-YESZJQIVSA-N 2 2 321.428 3.305 20 0 DGADLP Cc1ccc(C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740196 433967580 /nfs/dbraw/zinc/96/75/80/433967580.db2.gz BAAZSOZKHLOMOF-POAQFYNOSA-N 2 2 309.457 3.404 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000422746443 433969860 /nfs/dbraw/zinc/96/98/60/433969860.db2.gz NXAHCGSUFUXVOV-GVDBMIGSSA-N 2 2 309.885 3.192 20 0 DGADLP Clc1ccc(CN2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415069013 433972605 /nfs/dbraw/zinc/97/26/05/433972605.db2.gz OCVYRMVDUYTADP-SFHVURJKSA-N 2 2 321.896 3.036 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422751029 433974133 /nfs/dbraw/zinc/97/41/33/433974133.db2.gz BVHUUMVRVIHIBD-ZHALLVOQSA-N 3 2 317.521 3.045 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751029 433974140 /nfs/dbraw/zinc/97/41/40/433974140.db2.gz BVHUUMVRVIHIBD-ZHALLVOQSA-N 3 2 317.521 3.045 20 0 DGADLP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)[nH+]1 ZINC000422755351 433975401 /nfs/dbraw/zinc/97/54/01/433975401.db2.gz GTGGOVPGSHFISV-RBUKOAKNSA-N 3 2 322.456 3.093 20 0 DGADLP COc1ccc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422764919 433983150 /nfs/dbraw/zinc/98/31/50/433983150.db2.gz OVAIBUAAYQRWKI-SUMWQHHRSA-N 2 2 318.848 3.397 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1F ZINC000340216937 433988139 /nfs/dbraw/zinc/98/81/39/433988139.db2.gz GNLIXUGUGHDVLA-STQMWFEESA-N 2 2 316.424 3.380 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000422778304 433993267 /nfs/dbraw/zinc/99/32/67/433993267.db2.gz HJHALEALYRLAFJ-WZRBSPASSA-N 2 2 317.260 3.411 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000285551964 433989967 /nfs/dbraw/zinc/98/99/67/433989967.db2.gz MLTHNAKAQAORRE-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000285551964 433989976 /nfs/dbraw/zinc/98/99/76/433989976.db2.gz MLTHNAKAQAORRE-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)cc1 ZINC000285551964 433989983 /nfs/dbraw/zinc/98/99/83/433989983.db2.gz MLTHNAKAQAORRE-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cc1 ZINC000285551964 433989992 /nfs/dbraw/zinc/98/99/92/433989992.db2.gz MLTHNAKAQAORRE-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422772356 433990212 /nfs/dbraw/zinc/99/02/12/433990212.db2.gz XAZHNXIXTKJMIJ-BBWFWOEESA-N 3 2 303.494 3.365 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000363190567 433993239 /nfs/dbraw/zinc/99/32/39/433993239.db2.gz JPJDPJUXIUWZJG-KRWDZBQOSA-N 2 2 305.466 3.235 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000363190567 433993245 /nfs/dbraw/zinc/99/32/45/433993245.db2.gz JPJDPJUXIUWZJG-KRWDZBQOSA-N 2 2 305.466 3.235 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000422634847 433936819 /nfs/dbraw/zinc/93/68/19/433936819.db2.gz KHWNXXPZFOQKBL-SYQHCUMBSA-N 2 2 311.495 3.046 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000422634847 433936824 /nfs/dbraw/zinc/93/68/24/433936824.db2.gz KHWNXXPZFOQKBL-SYQHCUMBSA-N 2 2 311.495 3.046 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422698274 433936964 /nfs/dbraw/zinc/93/69/64/433936964.db2.gz YLCIWVXHXABJTA-QFBILLFUSA-N 3 2 303.494 3.149 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000362978216 433936980 /nfs/dbraw/zinc/93/69/80/433936980.db2.gz YDTBDESSVZIYOE-KSSFIOAISA-N 2 2 301.434 3.331 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000362978214 433939686 /nfs/dbraw/zinc/93/96/86/433939686.db2.gz YDTBDESSVZIYOE-KBXCAEBGSA-N 2 2 301.434 3.331 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000422706501 433940860 /nfs/dbraw/zinc/94/08/60/433940860.db2.gz UMAUZXNSIRAEKL-SJORKVTESA-N 2 2 310.397 3.082 20 0 DGADLP COc1ccc([C@H]([NH2+]CCCOCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422789267 434006791 /nfs/dbraw/zinc/00/67/91/434006791.db2.gz RYOIWPVEKHSGCU-MOPGFXCFSA-N 2 2 320.477 3.141 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-n3cccn3)cc1)CCC2 ZINC000377831828 434011690 /nfs/dbraw/zinc/01/16/90/434011690.db2.gz ORJJVTVFUDIJGN-KRWDZBQOSA-N 2 2 321.428 3.044 20 0 DGADLP Oc1ccc(F)c(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1F ZINC000352269272 434015903 /nfs/dbraw/zinc/01/59/03/434015903.db2.gz LJXBGUMSCKQQEU-UHFFFAOYSA-N 2 2 317.339 3.269 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000422806841 434020567 /nfs/dbraw/zinc/02/05/67/434020567.db2.gz NXMYZFFEHMHBSK-GVDBMIGSSA-N 2 2 301.459 3.085 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260104 434021687 /nfs/dbraw/zinc/02/16/87/434021687.db2.gz PJYGPTRUZKOYRJ-QBIMZIAESA-N 2 2 316.445 3.139 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260104 434021696 /nfs/dbraw/zinc/02/16/96/434021696.db2.gz PJYGPTRUZKOYRJ-QBIMZIAESA-N 2 2 316.445 3.139 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422826833 434029676 /nfs/dbraw/zinc/02/96/76/434029676.db2.gz CVIQLWVLPKUFPH-AABGKKOBSA-N 3 2 317.521 3.047 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000422825408 434030062 /nfs/dbraw/zinc/03/00/62/434030062.db2.gz AEOYGAXMZXUIMY-WOJBJXKFSA-N 3 2 318.424 3.166 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]1 ZINC000422826138 434030926 /nfs/dbraw/zinc/03/09/26/434030926.db2.gz KYUBIYNIMNGORI-QAPCUYQASA-N 2 2 320.440 3.256 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833377 434033779 /nfs/dbraw/zinc/03/37/79/434033779.db2.gz GPWMQGHDDJOIRK-LXZKKBNFSA-N 2 2 307.869 3.039 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833381 434034990 /nfs/dbraw/zinc/03/49/90/434034990.db2.gz GPWMQGHDDJOIRK-YSVLISHTSA-N 2 2 307.869 3.039 20 0 DGADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831078 434037422 /nfs/dbraw/zinc/03/74/22/434037422.db2.gz WFJKYRLWTYDWKF-QRQLOZEOSA-N 3 2 303.494 3.017 20 0 DGADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831078 434037429 /nfs/dbraw/zinc/03/74/29/434037429.db2.gz WFJKYRLWTYDWKF-QRQLOZEOSA-N 3 2 303.494 3.017 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841928 434046173 /nfs/dbraw/zinc/04/61/73/434046173.db2.gz XIEAYDDIBTVLFG-NXHRZFHOSA-N 3 2 321.534 3.080 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)[nH+]c1 ZINC000422786779 433996772 /nfs/dbraw/zinc/99/67/72/433996772.db2.gz QTSPXAQAXNLDIK-MOPGFXCFSA-N 3 2 322.456 3.093 20 0 DGADLP Cc1ccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)nc1 ZINC000422786779 433996785 /nfs/dbraw/zinc/99/67/85/433996785.db2.gz QTSPXAQAXNLDIK-MOPGFXCFSA-N 2 2 322.456 3.093 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000294111011 433998691 /nfs/dbraw/zinc/99/86/91/433998691.db2.gz FUORZWCMKSMOEN-AWEZNQCLSA-N 2 2 309.413 3.422 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841928 434046183 /nfs/dbraw/zinc/04/61/83/434046183.db2.gz XIEAYDDIBTVLFG-NXHRZFHOSA-N 3 2 321.534 3.080 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340233037 434001886 /nfs/dbraw/zinc/00/18/86/434001886.db2.gz ZMFHAFKUWNLYED-UCLAIMLFSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340233037 434001893 /nfs/dbraw/zinc/00/18/93/434001893.db2.gz ZMFHAFKUWNLYED-UCLAIMLFSA-N 2 2 312.461 3.215 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861183 434063497 /nfs/dbraw/zinc/06/34/97/434063497.db2.gz MMZLVKXYWYMKLZ-ABSDTBQOSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000422861183 434063502 /nfs/dbraw/zinc/06/35/02/434063502.db2.gz MMZLVKXYWYMKLZ-ABSDTBQOSA-N 3 2 315.505 3.149 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Br)cc1SC ZINC000414970003 293898576 /nfs/dbraw/zinc/89/85/76/293898576.db2.gz ZTJYDSBZLOWOQB-SNVBAGLBSA-N 2 2 317.296 3.259 20 0 DGADLP Cc1cc(C)c(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c[nH+]1 ZINC000416246398 434070677 /nfs/dbraw/zinc/07/06/77/434070677.db2.gz MGKYSINKDQPMHT-GOSISDBHSA-N 2 2 311.429 3.008 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000422872634 434072436 /nfs/dbraw/zinc/07/24/36/434072436.db2.gz HYXSHYXEKGVKNU-PBHICJAKSA-N 2 2 324.896 3.265 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552308 434076803 /nfs/dbraw/zinc/07/68/03/434076803.db2.gz LSPZJXZSVQXFJL-ZACQAIPSSA-N 2 2 315.461 3.277 20 0 DGADLP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552308 434076812 /nfs/dbraw/zinc/07/68/12/434076812.db2.gz LSPZJXZSVQXFJL-ZACQAIPSSA-N 2 2 315.461 3.277 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422909687 434100379 /nfs/dbraw/zinc/10/03/79/434100379.db2.gz ORYSDQFELCTOKD-BHIYHBOVSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909687 434100386 /nfs/dbraw/zinc/10/03/86/434100386.db2.gz ORYSDQFELCTOKD-BHIYHBOVSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000422891332 434085627 /nfs/dbraw/zinc/08/56/27/434085627.db2.gz VERHMPAMPKTZEA-CLPROHDKSA-N 2 2 316.489 3.317 20 0 DGADLP COc1cc(Cl)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422887866 434087352 /nfs/dbraw/zinc/08/73/52/434087352.db2.gz LPAMUKBXNIMKBM-DYVFJYSZSA-N 2 2 318.848 3.397 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c(OC(F)F)c1 ZINC000422891319 434087605 /nfs/dbraw/zinc/08/76/05/434087605.db2.gz VDWISWXFIKPKGG-ZIAGYGMSSA-N 2 2 314.376 3.046 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746543 434094541 /nfs/dbraw/zinc/09/45/41/434094541.db2.gz UNNMZMZIAPFTDB-GOEBONIOSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746543 434094549 /nfs/dbraw/zinc/09/45/49/434094549.db2.gz UNNMZMZIAPFTDB-GOEBONIOSA-N 2 2 301.459 3.316 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422903499 434094899 /nfs/dbraw/zinc/09/48/99/434094899.db2.gz WGEINAACLYXERG-AEGPPILISA-N 2 2 302.418 3.159 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161555 434098495 /nfs/dbraw/zinc/09/84/95/434098495.db2.gz RDDSDNPPAPRTQL-AQNXPRMDSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161555 434098504 /nfs/dbraw/zinc/09/85/04/434098504.db2.gz RDDSDNPPAPRTQL-AQNXPRMDSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161555 434098513 /nfs/dbraw/zinc/09/85/13/434098513.db2.gz RDDSDNPPAPRTQL-AQNXPRMDSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000378161555 434098522 /nfs/dbraw/zinc/09/85/22/434098522.db2.gz RDDSDNPPAPRTQL-AQNXPRMDSA-N 3 2 321.553 3.447 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841927 434048319 /nfs/dbraw/zinc/04/83/19/434048319.db2.gz XIEAYDDIBTVLFG-NJAFHUGGSA-N 3 2 321.534 3.080 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422841927 434048330 /nfs/dbraw/zinc/04/83/30/434048330.db2.gz XIEAYDDIBTVLFG-NJAFHUGGSA-N 3 2 321.534 3.080 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340303821 434052155 /nfs/dbraw/zinc/05/21/55/434052155.db2.gz WHOLADLHQNDNJH-HZPDHXFCSA-N 2 2 302.462 3.325 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422851199 434053208 /nfs/dbraw/zinc/05/32/08/434053208.db2.gz WNXBAIXSWCSPTC-GUYCJALGSA-N 2 2 315.392 3.243 20 0 DGADLP CC(C)Oc1ccc2[nH+]ccc(N[C@H](C)Cn3cc[nH+]c3)c2c1 ZINC000450251677 434057165 /nfs/dbraw/zinc/05/71/65/434057165.db2.gz VLIUPXTVHMMXNW-CQSZACIVSA-N 2 2 310.401 3.141 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1Br)C[NH+](C)C ZINC000310227433 434106329 /nfs/dbraw/zinc/10/63/29/434106329.db2.gz IRBFKWCATGRCNK-JTQLQIEISA-N 2 2 319.674 3.390 20 0 DGADLP Cc1ccnc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000353399809 434107805 /nfs/dbraw/zinc/10/78/05/434107805.db2.gz DIEAGPFKNJIKJO-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1Br)C[NH+](C)C ZINC000310140574 434108943 /nfs/dbraw/zinc/10/89/43/434108943.db2.gz MYBOEVYVBDAFAS-JTQLQIEISA-N 2 2 319.674 3.390 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000422927693 434111000 /nfs/dbraw/zinc/11/10/00/434111000.db2.gz ZRCGTTWBXPVPGZ-SASKPELWSA-N 2 2 322.880 3.394 20 0 DGADLP CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]1 ZINC000422928916 434119181 /nfs/dbraw/zinc/11/91/81/434119181.db2.gz NKUAHSBKQCHYCB-GJZGRUSLSA-N 2 2 324.852 3.122 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc(Cl)cn1 ZINC000312826997 434119951 /nfs/dbraw/zinc/11/99/51/434119951.db2.gz FRSNJVCALRWPEG-UHFFFAOYSA-N 2 2 320.868 3.037 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc(Cl)cn1 ZINC000312826997 434119958 /nfs/dbraw/zinc/11/99/58/434119958.db2.gz FRSNJVCALRWPEG-UHFFFAOYSA-N 2 2 320.868 3.037 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000422941968 434122123 /nfs/dbraw/zinc/12/21/23/434122123.db2.gz PBCHZBUDSFKNBN-WFASDCNBSA-N 2 2 301.459 3.069 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000340392730 434101893 /nfs/dbraw/zinc/10/18/93/434101893.db2.gz DQCAOFATJBHGMI-IRXDYDNUSA-N 2 2 313.445 3.471 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000340392730 434101902 /nfs/dbraw/zinc/10/19/02/434101902.db2.gz DQCAOFATJBHGMI-IRXDYDNUSA-N 2 2 313.445 3.471 20 0 DGADLP CCN(c1cc[nH+]c(NCc2c[nH+]cn2CC)n1)C1CCCC1 ZINC000416424915 434125265 /nfs/dbraw/zinc/12/52/65/434125265.db2.gz BIYJTLOUNAHERM-UHFFFAOYSA-N 2 2 314.437 3.074 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000507489741 294301398 /nfs/dbraw/zinc/30/13/98/294301398.db2.gz YALVXVPHDNLPNM-BHIYHBOVSA-N 2 2 304.478 3.474 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000507489743 294301493 /nfs/dbraw/zinc/30/14/93/294301493.db2.gz YALVXVPHDNLPNM-QXAKKESOSA-N 2 2 304.478 3.474 20 0 DGADLP C[C@@H]1CCCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509148400 294340589 /nfs/dbraw/zinc/34/05/89/294340589.db2.gz BCWFZWXEDDHEQJ-LJQANCHMSA-N 2 2 315.505 3.321 20 0 DGADLP C[C@@H]1CCCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509148400 294340594 /nfs/dbraw/zinc/34/05/94/294340594.db2.gz BCWFZWXEDDHEQJ-LJQANCHMSA-N 2 2 315.505 3.321 20 0 DGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000509277615 294345331 /nfs/dbraw/zinc/34/53/31/294345331.db2.gz VTSMUVUMAJVGBO-UHFFFAOYSA-N 2 2 301.478 3.073 20 0 DGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000509277615 294345333 /nfs/dbraw/zinc/34/53/33/294345333.db2.gz VTSMUVUMAJVGBO-UHFFFAOYSA-N 2 2 301.478 3.073 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC(C)(C)C1 ZINC000509546913 294355891 /nfs/dbraw/zinc/35/58/91/294355891.db2.gz WZEBFWKRJJQXIE-UHFFFAOYSA-N 2 2 304.478 3.255 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC(C)(C)C1 ZINC000509546913 294355894 /nfs/dbraw/zinc/35/58/94/294355894.db2.gz WZEBFWKRJJQXIE-UHFFFAOYSA-N 2 2 304.478 3.255 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCOC(C)(C)C1 ZINC000509546913 294355895 /nfs/dbraw/zinc/35/58/95/294355895.db2.gz WZEBFWKRJJQXIE-UHFFFAOYSA-N 2 2 304.478 3.255 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCOC(C)(C)C1 ZINC000509546913 294355897 /nfs/dbraw/zinc/35/58/97/294355897.db2.gz WZEBFWKRJJQXIE-UHFFFAOYSA-N 2 2 304.478 3.255 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447662 434134348 /nfs/dbraw/zinc/13/43/48/434134348.db2.gz XLFCUXMNOWAQHA-QAPCUYQASA-N 2 2 311.429 3.102 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340447662 434134357 /nfs/dbraw/zinc/13/43/57/434134357.db2.gz XLFCUXMNOWAQHA-QAPCUYQASA-N 2 2 311.429 3.102 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422967886 434144199 /nfs/dbraw/zinc/14/41/99/434144199.db2.gz UTWCBUDNHCCVPB-WMLDXEAASA-N 2 2 303.450 3.023 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000357780199 434175108 /nfs/dbraw/zinc/17/51/08/434175108.db2.gz UYPQDPDOBLDTKS-GOSISDBHSA-N 2 2 313.445 3.088 20 0 DGADLP Cc1nc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000357780199 434175118 /nfs/dbraw/zinc/17/51/18/434175118.db2.gz UYPQDPDOBLDTKS-GOSISDBHSA-N 2 2 313.445 3.088 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000353551857 434220386 /nfs/dbraw/zinc/22/03/86/434220386.db2.gz LPGIRYAFZHVRTP-DLBZAZTESA-N 2 2 318.461 3.001 20 0 DGADLP Clc1ccc2[nH+]c(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000316017303 434181240 /nfs/dbraw/zinc/18/12/40/434181240.db2.gz GEZSWZFBLUOTNV-HZPDHXFCSA-N 2 2 318.852 3.094 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423041729 434181459 /nfs/dbraw/zinc/18/14/59/434181459.db2.gz JOFJQNOUHZLAHH-AEFFLSMTSA-N 2 2 301.478 3.297 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000346195452 434187460 /nfs/dbraw/zinc/18/74/60/434187460.db2.gz OKDDOSDPWCLIQN-MAUKXSAKSA-N 2 2 315.461 3.299 20 0 DGADLP COc1ccccc1[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC(C)C ZINC000423046361 434187541 /nfs/dbraw/zinc/18/75/41/434187541.db2.gz DJXFCQXYZZGRMX-AYBZRNKSSA-N 2 2 320.477 3.282 20 0 DGADLP CC[C@H]([NH2+]Cc1ccccc1N1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423044670 434189168 /nfs/dbraw/zinc/18/91/68/434189168.db2.gz RDNIIBTVOMAFMH-ROUUACIJSA-N 2 2 301.478 3.297 20 0 DGADLP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccoc1 ZINC000353518650 434192331 /nfs/dbraw/zinc/19/23/31/434192331.db2.gz LHVMLXSIODZQQB-RTBURBONSA-N 2 2 322.493 3.439 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000316879291 434193656 /nfs/dbraw/zinc/19/36/56/434193656.db2.gz QYNGATRCACQPNW-ZFWWWQNUSA-N 2 2 324.852 3.061 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000316879291 434193664 /nfs/dbraw/zinc/19/36/64/434193664.db2.gz QYNGATRCACQPNW-ZFWWWQNUSA-N 2 2 324.852 3.061 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000450463371 434203093 /nfs/dbraw/zinc/20/30/93/434203093.db2.gz ONHCPQCARALSOL-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000450463371 434203102 /nfs/dbraw/zinc/20/31/02/434203102.db2.gz ONHCPQCARALSOL-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000423089924 434211936 /nfs/dbraw/zinc/21/19/36/434211936.db2.gz WFMBROUMJWXJDX-OHDICMOHSA-N 2 2 302.462 3.228 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000295118943 434215291 /nfs/dbraw/zinc/21/52/91/434215291.db2.gz YHBUFWJTQFZNPK-KYJSFNMBSA-N 2 2 321.534 3.084 20 0 DGADLP CSc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000295118943 434215302 /nfs/dbraw/zinc/21/53/02/434215302.db2.gz YHBUFWJTQFZNPK-KYJSFNMBSA-N 2 2 321.534 3.084 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423104375 434217142 /nfs/dbraw/zinc/21/71/42/434217142.db2.gz MAFMGIPXAMRNBT-RHSMWYFYSA-N 2 2 300.450 3.006 20 0 DGADLP CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286104677 434167180 /nfs/dbraw/zinc/16/71/80/434167180.db2.gz LEYCWERNSDFVJI-GJZGRUSLSA-N 2 2 302.447 3.031 20 0 DGADLP CN(c1[nH+]cnc2[nH]c3ccccc3c21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450525688 434240422 /nfs/dbraw/zinc/24/04/22/434240422.db2.gz SCWYNDMJXPIQEG-PBWFPOADSA-N 2 2 321.428 3.173 20 0 DGADLP CN(c1[nH+]cnc2[nH]c3ccccc3c21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450525688 434240432 /nfs/dbraw/zinc/24/04/32/434240432.db2.gz SCWYNDMJXPIQEG-PBWFPOADSA-N 2 2 321.428 3.173 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423141811 434242290 /nfs/dbraw/zinc/24/22/90/434242290.db2.gz RWIFHQJSPSCLRX-MISYRCLQSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423141811 434242299 /nfs/dbraw/zinc/24/22/99/434242299.db2.gz RWIFHQJSPSCLRX-MISYRCLQSA-N 3 2 315.505 3.019 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)OC ZINC000423150155 434248027 /nfs/dbraw/zinc/24/80/27/434248027.db2.gz BDBKKVGGOFNKSC-KLIQENQMSA-N 2 2 320.477 3.139 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931633 434249164 /nfs/dbraw/zinc/24/91/64/434249164.db2.gz PXZZPHIMXZLXSY-MRXNPFEDSA-N 2 2 323.868 3.215 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931633 434249178 /nfs/dbraw/zinc/24/91/78/434249178.db2.gz PXZZPHIMXZLXSY-MRXNPFEDSA-N 2 2 323.868 3.215 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000321438363 434251921 /nfs/dbraw/zinc/25/19/21/434251921.db2.gz MICJBZYTJFJVHE-MRXNPFEDSA-N 3 2 309.417 3.200 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2ccnc2)cc1 ZINC000321438363 434251932 /nfs/dbraw/zinc/25/19/32/434251932.db2.gz MICJBZYTJFJVHE-MRXNPFEDSA-N 2 2 309.417 3.200 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423165686 434258981 /nfs/dbraw/zinc/25/89/81/434258981.db2.gz QBTUYKRLSILDDL-HUHSQHJXSA-N 2 2 322.880 3.333 20 0 DGADLP CC(C)(CNc1cc(N2CCCCC2)[nH+]cn1)C[NH+]1CCCC1 ZINC000357951337 434262607 /nfs/dbraw/zinc/26/26/07/434262607.db2.gz ZFXGCVSISMDEJY-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CC(C)(CNc1cc(N2CCCCC2)nc[nH+]1)C[NH+]1CCCC1 ZINC000357951337 434262619 /nfs/dbraw/zinc/26/26/19/434262619.db2.gz ZFXGCVSISMDEJY-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CSC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423191761 434276509 /nfs/dbraw/zinc/27/65/09/434276509.db2.gz PFDOUYNTKLKBLZ-ZIAGYGMSSA-N 2 2 318.408 3.451 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000423196362 434276813 /nfs/dbraw/zinc/27/68/13/434276813.db2.gz ZSEXDXZOAUUGCW-NOZJJQNGSA-N 2 2 317.658 3.333 20 0 DGADLP CN(C)c1ccccc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353554107 434224018 /nfs/dbraw/zinc/22/40/18/434224018.db2.gz IEBLNQCSDULPMP-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP CN(C)c1ccccc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353554107 434224032 /nfs/dbraw/zinc/22/40/32/434224032.db2.gz IEBLNQCSDULPMP-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP CN(C)c1ccccc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353554107 434224043 /nfs/dbraw/zinc/22/40/43/434224043.db2.gz IEBLNQCSDULPMP-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP CN(C)c1ccccc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353554107 434224053 /nfs/dbraw/zinc/22/40/53/434224053.db2.gz IEBLNQCSDULPMP-UHFFFAOYSA-N 2 2 315.461 3.300 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]CCC1CCOCC1)c1ccccc1 ZINC000319822305 434226965 /nfs/dbraw/zinc/22/69/65/434226965.db2.gz SAWQHZNRZNDUSN-IBGZPJMESA-N 2 2 304.478 3.476 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499631 434228063 /nfs/dbraw/zinc/22/80/63/434228063.db2.gz JHQFXRPWUKQNHE-ZBFHGGJFSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499631 434228075 /nfs/dbraw/zinc/22/80/75/434228075.db2.gz JHQFXRPWUKQNHE-ZBFHGGJFSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000450499631 434228081 /nfs/dbraw/zinc/22/80/81/434228081.db2.gz JHQFXRPWUKQNHE-ZBFHGGJFSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499631 434228091 /nfs/dbraw/zinc/22/80/91/434228091.db2.gz JHQFXRPWUKQNHE-ZBFHGGJFSA-N 2 2 308.853 3.265 20 0 DGADLP c1ccc(OC2CC2)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000450500818 434228742 /nfs/dbraw/zinc/22/87/42/434228742.db2.gz OKEWTGUHPHMNBM-GOSISDBHSA-N 2 2 310.397 3.276 20 0 DGADLP c1ccc(OC2CC2)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000450500818 434228754 /nfs/dbraw/zinc/22/87/54/434228754.db2.gz OKEWTGUHPHMNBM-GOSISDBHSA-N 2 2 310.397 3.276 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423116626 434228833 /nfs/dbraw/zinc/22/88/33/434228833.db2.gz QPZDTEZXNBYOHV-XJKSGUPXSA-N 2 2 312.461 3.164 20 0 DGADLP C[C@H](CCO)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000295148316 434228797 /nfs/dbraw/zinc/22/87/97/434228797.db2.gz QWEHAMUPILZUDW-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423118929 434229664 /nfs/dbraw/zinc/22/96/64/434229664.db2.gz CSADQRYWOOLCIJ-WBAXXEDZSA-N 2 2 320.502 3.221 20 0 DGADLP CN(CCC[NH+]1CCCC1)c1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450500217 434231139 /nfs/dbraw/zinc/23/11/39/434231139.db2.gz MNUFYKBSHVDQEY-UHFFFAOYSA-N 2 2 309.417 3.033 20 0 DGADLP COc1ccc([C@H]([NH2+]CC2CC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423121313 434235684 /nfs/dbraw/zinc/23/56/84/434235684.db2.gz ATNIDVVASPUBNR-CVEARBPZSA-N 2 2 310.388 3.123 20 0 DGADLP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423200913 434279946 /nfs/dbraw/zinc/27/99/46/434279946.db2.gz NJVCREMQQYBTRQ-SFHVURJKSA-N 2 2 302.393 3.123 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000295266433 434284803 /nfs/dbraw/zinc/28/48/03/434284803.db2.gz VIMUVZJIAFKKHT-KRWDZBQOSA-N 2 2 315.486 3.106 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000295266433 434284812 /nfs/dbraw/zinc/28/48/12/434284812.db2.gz VIMUVZJIAFKKHT-KRWDZBQOSA-N 2 2 315.486 3.106 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)ccc1Oc1cccnc1 ZINC000353677711 434333327 /nfs/dbraw/zinc/33/33/27/434333327.db2.gz ZFGVVJCLGJFVEB-MJGOQNOKSA-N 2 2 323.440 3.366 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)ccc1Oc1cccnc1 ZINC000353677711 434333339 /nfs/dbraw/zinc/33/33/39/434333339.db2.gz ZFGVVJCLGJFVEB-MJGOQNOKSA-N 2 2 323.440 3.366 20 0 DGADLP Cc1cc(C)cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423223826 434294651 /nfs/dbraw/zinc/29/46/51/434294651.db2.gz ATZGGFRYQIAPMI-INIZCTEOSA-N 2 2 310.445 3.281 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[NH+](C3CC3)C[C@@H]2C)c1 ZINC000358030550 434295098 /nfs/dbraw/zinc/29/50/98/434295098.db2.gz ATIFMYSJOKXHNB-OXJNMPFZSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[NH+](C3CC3)C[C@@H]2C)c1 ZINC000358030550 434295104 /nfs/dbraw/zinc/29/51/04/434295104.db2.gz ATIFMYSJOKXHNB-OXJNMPFZSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000358030550 434295112 /nfs/dbraw/zinc/29/51/12/434295112.db2.gz ATIFMYSJOKXHNB-OXJNMPFZSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000358030550 434295122 /nfs/dbraw/zinc/29/51/22/434295122.db2.gz ATIFMYSJOKXHNB-OXJNMPFZSA-N 3 2 315.505 3.099 20 0 DGADLP C[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423228037 434295471 /nfs/dbraw/zinc/29/54/71/434295471.db2.gz XZIAOXBGCAARSJ-ZDUSSCGKSA-N 2 2 305.422 3.136 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccnc2)c(F)c1 ZINC000423220602 434295859 /nfs/dbraw/zinc/29/58/59/434295859.db2.gz YJYJURRYYPXSBU-UGSOOPFHSA-N 2 2 317.383 3.038 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1F ZINC000423228663 434298946 /nfs/dbraw/zinc/29/89/46/434298946.db2.gz DOLYGFALNINUMV-QGZVFWFLSA-N 2 2 314.408 3.194 20 0 DGADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423233228 434299444 /nfs/dbraw/zinc/29/94/44/434299444.db2.gz JRLUWQJHRDNHEY-MSOLQXFVSA-N 2 2 315.848 3.360 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000423232006 434300101 /nfs/dbraw/zinc/30/01/01/434300101.db2.gz BRMWWXLWRRGETI-PWIZWCRZSA-N 2 2 310.441 3.444 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000385759944 434303345 /nfs/dbraw/zinc/30/33/45/434303345.db2.gz SFIOKGFXGGMXRL-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000385759944 434303351 /nfs/dbraw/zinc/30/33/51/434303351.db2.gz SFIOKGFXGGMXRL-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000353651605 434303395 /nfs/dbraw/zinc/30/33/95/434303395.db2.gz HADZJPCDWGSHCN-FQEVSTJZSA-N 2 2 316.489 3.039 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000353651605 434303407 /nfs/dbraw/zinc/30/34/07/434303407.db2.gz HADZJPCDWGSHCN-FQEVSTJZSA-N 2 2 316.489 3.039 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000423235579 434303785 /nfs/dbraw/zinc/30/37/85/434303785.db2.gz GOMGDAQAFIDVQC-GUYCJALGSA-N 2 2 300.402 3.054 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000423235980 434304048 /nfs/dbraw/zinc/30/40/48/434304048.db2.gz GYCQASOGKKQQJF-IAGOWNOFSA-N 2 2 300.377 3.329 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000423235979 434305627 /nfs/dbraw/zinc/30/56/27/434305627.db2.gz GYCQASOGKKQQJF-DLBZAZTESA-N 2 2 300.377 3.329 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000358051871 434306365 /nfs/dbraw/zinc/30/63/65/434306365.db2.gz RPVCFCWLVJQYHL-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000358051871 434306375 /nfs/dbraw/zinc/30/63/75/434306375.db2.gz RPVCFCWLVJQYHL-UHFFFAOYSA-N 2 2 324.852 3.043 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423245383 434310579 /nfs/dbraw/zinc/31/05/79/434310579.db2.gz OWGOKYMAUQMLKA-JXFKEZNVSA-N 2 2 320.440 3.282 20 0 DGADLP C[C@@H](CCCC[NH3+])[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386807310 434311406 /nfs/dbraw/zinc/31/14/06/434311406.db2.gz CWMBIPUCKWUMLK-KRWDZBQOSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@@H](CCCC[NH3+])[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386807310 434311417 /nfs/dbraw/zinc/31/14/17/434311417.db2.gz CWMBIPUCKWUMLK-KRWDZBQOSA-N 3 2 303.494 3.148 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccccc1 ZINC000423246063 434311332 /nfs/dbraw/zinc/31/13/32/434311332.db2.gz JUEWDECQFGFMKC-KGLIPLIRSA-N 2 2 306.331 3.381 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)[C@@H](C)O1 ZINC000386690600 434311486 /nfs/dbraw/zinc/31/14/86/434311486.db2.gz KIBMBPGLGYNIMJ-JFIYKMOQSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)[C@@H](C)O1 ZINC000386690600 434311494 /nfs/dbraw/zinc/31/14/94/434311494.db2.gz KIBMBPGLGYNIMJ-JFIYKMOQSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423276270 434334053 /nfs/dbraw/zinc/33/40/53/434334053.db2.gz OCHOHCUWBDLBGW-QWHCGFSZSA-N 2 2 315.230 3.148 20 0 DGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423253255 434314948 /nfs/dbraw/zinc/31/49/48/434314948.db2.gz YWAMPPAQFBXFLG-KXBFYZLASA-N 2 2 323.440 3.164 20 0 DGADLP C[C@H]1COCC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386924381 434318558 /nfs/dbraw/zinc/31/85/58/434318558.db2.gz RZEVRKIGZDNDMZ-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1COCC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386924381 434318567 /nfs/dbraw/zinc/31/85/67/434318567.db2.gz RZEVRKIGZDNDMZ-WMZOPIPTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1nc2ccccc2n1C ZINC000423257833 434320155 /nfs/dbraw/zinc/32/01/55/434320155.db2.gz AHOKCORCDTUKHU-CJNGLKHVSA-N 2 2 300.450 3.132 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@H]1[NH3+] ZINC000387546844 434321913 /nfs/dbraw/zinc/32/19/13/434321913.db2.gz XNYPOIZTGAVZKZ-MLGOLLRUSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@H]1[NH3+] ZINC000387546844 434321919 /nfs/dbraw/zinc/32/19/19/434321919.db2.gz XNYPOIZTGAVZKZ-MLGOLLRUSA-N 2 2 303.381 3.040 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cnn1-c1ccc(F)cc1 ZINC000423267500 434322618 /nfs/dbraw/zinc/32/26/18/434322618.db2.gz TUPMDMJIAOJBLA-XJKSGUPXSA-N 2 2 318.440 3.344 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423196983 434277269 /nfs/dbraw/zinc/27/72/69/434277269.db2.gz XDNNJDQHVNONQD-DGCLKSJQSA-N 2 2 300.418 3.446 20 0 DGADLP CCOC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002557 434277929 /nfs/dbraw/zinc/27/79/29/434277929.db2.gz GNTYRWJRBKPWMX-LPHOPBHVSA-N 2 2 304.478 3.084 20 0 DGADLP CCOC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002557 434277937 /nfs/dbraw/zinc/27/79/37/434277937.db2.gz GNTYRWJRBKPWMX-LPHOPBHVSA-N 2 2 304.478 3.084 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224321 434367657 /nfs/dbraw/zinc/36/76/57/434367657.db2.gz WUGOHSPOAMKRLN-WMZOPIPTSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000366224321 434367666 /nfs/dbraw/zinc/36/76/66/434367666.db2.gz WUGOHSPOAMKRLN-WMZOPIPTSA-N 2 2 310.445 3.039 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc3c(c1)OCO3)CCC2 ZINC000366229969 434368586 /nfs/dbraw/zinc/36/85/86/434368586.db2.gz KBNGSCGECNSYQK-UKRRQHHQSA-N 2 2 313.401 3.148 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccnn2C(C)C)[nH+]1 ZINC000366245579 434371185 /nfs/dbraw/zinc/37/11/85/434371185.db2.gz IAWQNUNWLIUMMI-INIZCTEOSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)[nH+]1 ZINC000366245579 434371189 /nfs/dbraw/zinc/37/11/89/434371189.db2.gz IAWQNUNWLIUMMI-INIZCTEOSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000287492815 434374428 /nfs/dbraw/zinc/37/44/28/434374428.db2.gz KYXFHTHAIIECKS-UHFFFAOYSA-N 2 2 316.449 3.181 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000287497027 434374621 /nfs/dbraw/zinc/37/46/21/434374621.db2.gz LEFQFQIAHULCAX-UHFFFAOYSA-N 2 2 318.465 3.475 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000287497027 434374632 /nfs/dbraw/zinc/37/46/32/434374632.db2.gz LEFQFQIAHULCAX-UHFFFAOYSA-N 2 2 318.465 3.475 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1 ZINC000353733579 434376700 /nfs/dbraw/zinc/37/67/00/434376700.db2.gz ADOHNIICGFPWFO-QWHCGFSZSA-N 2 2 317.458 3.021 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1 ZINC000353733579 434376710 /nfs/dbraw/zinc/37/67/10/434376710.db2.gz ADOHNIICGFPWFO-QWHCGFSZSA-N 2 2 317.458 3.021 20 0 DGADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000423354180 434378169 /nfs/dbraw/zinc/37/81/69/434378169.db2.gz FPICJNODMJVUSY-MRXNPFEDSA-N 3 2 309.542 3.397 20 0 DGADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000423357063 434378729 /nfs/dbraw/zinc/37/87/29/434378729.db2.gz LDZCIJGTLVSBTO-DYVFJYSZSA-N 2 2 311.385 3.201 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513831 434378978 /nfs/dbraw/zinc/37/89/78/434378978.db2.gz OGEINMCOALXCKY-IIDMSEBBSA-N 2 2 319.468 3.244 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000287513831 434378986 /nfs/dbraw/zinc/37/89/86/434378986.db2.gz OGEINMCOALXCKY-IIDMSEBBSA-N 2 2 319.468 3.244 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C ZINC000353746912 434387285 /nfs/dbraw/zinc/38/72/85/434387285.db2.gz LLIHLNMBMZIKBM-IJEWVQPXSA-N 2 2 323.506 3.299 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C ZINC000353746912 434387292 /nfs/dbraw/zinc/38/72/92/434387292.db2.gz LLIHLNMBMZIKBM-IJEWVQPXSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C ZINC000353746912 434387303 /nfs/dbraw/zinc/38/73/03/434387303.db2.gz LLIHLNMBMZIKBM-IJEWVQPXSA-N 2 2 323.506 3.299 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C ZINC000353746912 434387312 /nfs/dbraw/zinc/38/73/12/434387312.db2.gz LLIHLNMBMZIKBM-IJEWVQPXSA-N 2 2 323.506 3.299 20 0 DGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423372581 434389358 /nfs/dbraw/zinc/38/93/58/434389358.db2.gz RDJMVPUIDGIIIP-RVBZMBCESA-N 2 2 315.280 3.169 20 0 DGADLP c1c[nH+]c([C@@H](NCC[NH2+]C2CCCCCC2)c2ccccc2)[nH]1 ZINC000423276595 434335410 /nfs/dbraw/zinc/33/54/10/434335410.db2.gz NFRCLYUJBUWHEM-SFHVURJKSA-N 2 2 312.461 3.401 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423279913 434338199 /nfs/dbraw/zinc/33/81/99/434338199.db2.gz SBTNUJIMTNIBLO-KBXCAEBGSA-N 2 2 312.461 3.185 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358122514 434340771 /nfs/dbraw/zinc/34/07/71/434340771.db2.gz FURJSYCDNIDQSO-JEBQAFNWSA-N 2 2 300.446 3.145 20 0 DGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358122514 434340781 /nfs/dbraw/zinc/34/07/81/434340781.db2.gz FURJSYCDNIDQSO-JEBQAFNWSA-N 2 2 300.446 3.145 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423288663 434344184 /nfs/dbraw/zinc/34/41/84/434344184.db2.gz UEFRWKOAFYZEQI-WMZOPIPTSA-N 3 2 303.494 3.004 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423288663 434344188 /nfs/dbraw/zinc/34/41/88/434344188.db2.gz UEFRWKOAFYZEQI-WMZOPIPTSA-N 3 2 303.494 3.004 20 0 DGADLP Fc1cccc([C@@H]([NH2+]CC2C[NH2+]C2)c2cccc(Cl)c2)c1 ZINC000423301263 434349816 /nfs/dbraw/zinc/34/98/16/434349816.db2.gz GYJWBDTWLYUROM-KRWDZBQOSA-N 2 2 304.796 3.378 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000389853931 434350544 /nfs/dbraw/zinc/35/05/44/434350544.db2.gz YESBCJLDKIOCBY-BPQIPLTHSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000389853931 434350548 /nfs/dbraw/zinc/35/05/48/434350548.db2.gz YESBCJLDKIOCBY-BPQIPLTHSA-N 2 2 316.489 3.443 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000287411884 434352662 /nfs/dbraw/zinc/35/26/62/434352662.db2.gz FGURTKHEJSQHEZ-UHFFFAOYSA-N 2 2 316.449 3.181 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871550 434353330 /nfs/dbraw/zinc/35/33/30/434353330.db2.gz PXWDEKCEZCSORD-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871550 434353338 /nfs/dbraw/zinc/35/33/38/434353338.db2.gz PXWDEKCEZCSORD-PKOBYXMFSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000389853934 434354177 /nfs/dbraw/zinc/35/41/77/434354177.db2.gz YESBCJLDKIOCBY-NXHRZFHOSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000389853934 434354186 /nfs/dbraw/zinc/35/41/86/434354186.db2.gz YESBCJLDKIOCBY-NXHRZFHOSA-N 2 2 316.489 3.443 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000423321442 434357608 /nfs/dbraw/zinc/35/76/08/434357608.db2.gz HNIBMGDUZPCUAZ-WBMJQRKESA-N 2 2 319.246 3.475 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCN(c3ccccc3)CC1)CCC2 ZINC000366209935 434357888 /nfs/dbraw/zinc/35/78/88/434357888.db2.gz MDKZNORIYFGFAW-QGZVFWFLSA-N 2 2 324.472 3.328 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000390582534 434360303 /nfs/dbraw/zinc/36/03/03/434360303.db2.gz JMVHQXBXDAVJRS-RDJZCZTQSA-N 2 2 304.478 3.443 20 0 DGADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000390582534 434360310 /nfs/dbraw/zinc/36/03/10/434360310.db2.gz JMVHQXBXDAVJRS-RDJZCZTQSA-N 2 2 304.478 3.443 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCO[C@@H]2C)[NH+](C)C)cc1 ZINC000348683909 434444906 /nfs/dbraw/zinc/44/49/06/434444906.db2.gz AZMXAZNAEKQADP-MNEFBYGVSA-N 2 2 304.478 3.255 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749206 434394129 /nfs/dbraw/zinc/39/41/29/434394129.db2.gz UYYKIKUESKTTNO-DZGCQCFKSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749206 434394137 /nfs/dbraw/zinc/39/41/37/434394137.db2.gz UYYKIKUESKTTNO-DZGCQCFKSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749206 434394144 /nfs/dbraw/zinc/39/41/44/434394144.db2.gz UYYKIKUESKTTNO-DZGCQCFKSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(Cl)cn23)C[C@@H]1C ZINC000353749206 434394150 /nfs/dbraw/zinc/39/41/50/434394150.db2.gz UYYKIKUESKTTNO-DZGCQCFKSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423383497 434396049 /nfs/dbraw/zinc/39/60/49/434396049.db2.gz JLMBISQKYBETAC-MDNKFWRPSA-N 3 2 315.505 3.017 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423383497 434396058 /nfs/dbraw/zinc/39/60/58/434396058.db2.gz JLMBISQKYBETAC-MDNKFWRPSA-N 3 2 315.505 3.017 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H](C)C[NH3+])C(C)C)c(Br)c1 ZINC000423382616 434396355 /nfs/dbraw/zinc/39/63/55/434396355.db2.gz DMNIRZFSJGFTTJ-IINYFYTJSA-N 2 2 315.255 3.092 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353748664 434397136 /nfs/dbraw/zinc/39/71/36/434397136.db2.gz IMIGPOZOXGREAX-CABCVRRESA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353748664 434397143 /nfs/dbraw/zinc/39/71/43/434397143.db2.gz IMIGPOZOXGREAX-CABCVRRESA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000353748664 434397150 /nfs/dbraw/zinc/39/71/50/434397150.db2.gz IMIGPOZOXGREAX-CABCVRRESA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC000353748664 434397159 /nfs/dbraw/zinc/39/71/59/434397159.db2.gz IMIGPOZOXGREAX-CABCVRRESA-N 2 2 324.538 3.294 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751464 434401921 /nfs/dbraw/zinc/40/19/21/434401921.db2.gz PSEAAWJYWRBYPS-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751464 434401930 /nfs/dbraw/zinc/40/19/30/434401930.db2.gz PSEAAWJYWRBYPS-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751464 434401940 /nfs/dbraw/zinc/40/19/40/434401940.db2.gz PSEAAWJYWRBYPS-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC000353751464 434401948 /nfs/dbraw/zinc/40/19/48/434401948.db2.gz PSEAAWJYWRBYPS-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CCCOc1cccc2c(N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc[nH+]c12 ZINC000450777407 434402748 /nfs/dbraw/zinc/40/27/48/434402748.db2.gz JIBCFKKVJAKIFE-WMLDXEAASA-N 2 2 311.429 3.164 20 0 DGADLP CCCOc1cccc2c(N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc[nH+]c12 ZINC000450777407 434402761 /nfs/dbraw/zinc/40/27/61/434402761.db2.gz JIBCFKKVJAKIFE-WMLDXEAASA-N 2 2 311.429 3.164 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccnn1-c1ccccc1 ZINC000423393829 434403211 /nfs/dbraw/zinc/40/32/11/434403211.db2.gz RIPYOFMEDVRKGO-QAPCUYQASA-N 2 2 312.461 3.301 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340874045 434404624 /nfs/dbraw/zinc/40/46/24/434404624.db2.gz HCNRGXFARXINTH-FGTMMUONSA-N 2 2 319.493 3.270 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000340874045 434404636 /nfs/dbraw/zinc/40/46/36/434404636.db2.gz HCNRGXFARXINTH-FGTMMUONSA-N 2 2 319.493 3.270 20 0 DGADLP CCn1cc[nH+]c1[C@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423407620 434409168 /nfs/dbraw/zinc/40/91/68/434409168.db2.gz WDXBMDWDUBFTSN-KBXCAEBGSA-N 2 2 308.429 3.407 20 0 DGADLP CCn1cc[nH+]c1[C@@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423407625 434410691 /nfs/dbraw/zinc/41/06/91/434410691.db2.gz WDXBMDWDUBFTSN-KDOFPFPSSA-N 2 2 308.429 3.407 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423415645 434411615 /nfs/dbraw/zinc/41/16/15/434411615.db2.gz DZZIBKAEKDRMPO-UXHICEINSA-N 2 2 307.441 3.410 20 0 DGADLP CC1(C)CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000395202233 434412996 /nfs/dbraw/zinc/41/29/96/434412996.db2.gz GVPODRYKVAMRLZ-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000395202233 434413002 /nfs/dbraw/zinc/41/30/02/434413002.db2.gz GVPODRYKVAMRLZ-GOSISDBHSA-N 2 2 302.462 3.056 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CCC[NH2+]1 ZINC000423418973 434413755 /nfs/dbraw/zinc/41/37/55/434413755.db2.gz VKUAWRHGOPFBJZ-SJORKVTESA-N 2 2 312.404 3.020 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)COC2 ZINC000423429683 434419380 /nfs/dbraw/zinc/41/93/80/434419380.db2.gz PEQIAUWUBNGDPF-XOBRGWDASA-N 2 2 308.425 3.254 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H](C)[NH3+] ZINC000423432120 434420044 /nfs/dbraw/zinc/42/00/44/434420044.db2.gz QQRRCTJZTWRASI-SUMWQHHRSA-N 2 2 313.401 3.432 20 0 DGADLP COc1ccc2nc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)sc2c1 ZINC000353771224 434421248 /nfs/dbraw/zinc/42/12/48/434421248.db2.gz AWEAYBWFXJZNFF-QWHCGFSZSA-N 2 2 319.474 3.267 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423445780 434428600 /nfs/dbraw/zinc/42/86/00/434428600.db2.gz YQDGPIHNBKCOBB-JLTOFOAXSA-N 2 2 323.440 3.183 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2ccccc2c1OC(F)F ZINC000423445566 434429564 /nfs/dbraw/zinc/42/95/64/434429564.db2.gz YDATUCIACHLRFU-MZORAGNBSA-N 2 2 318.367 3.310 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480709 434430148 /nfs/dbraw/zinc/43/01/48/434430148.db2.gz JUVZZLXJNNOHIK-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480709 434430158 /nfs/dbraw/zinc/43/01/58/434430158.db2.gz JUVZZLXJNNOHIK-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480709 434430169 /nfs/dbraw/zinc/43/01/69/434430169.db2.gz JUVZZLXJNNOHIK-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)C1 ZINC000366480709 434430177 /nfs/dbraw/zinc/43/01/77/434430177.db2.gz JUVZZLXJNNOHIK-SFHVURJKSA-N 2 2 315.392 3.008 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423462133 434431902 /nfs/dbraw/zinc/43/19/02/434431902.db2.gz KJKXBURQYNWKLI-GOEBONIOSA-N 2 2 300.450 3.185 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]CC[C@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000438220585 434435745 /nfs/dbraw/zinc/43/57/45/434435745.db2.gz TWPPZCPKHOQVAW-PKOBYXMFSA-N 2 2 302.462 3.148 20 0 DGADLP Cc1ccc([C@H](C[NH2+]CC[C@@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000438220584 434435802 /nfs/dbraw/zinc/43/58/02/434435802.db2.gz TWPPZCPKHOQVAW-MJGOQNOKSA-N 2 2 302.462 3.148 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423497211 434461503 /nfs/dbraw/zinc/46/15/03/434461503.db2.gz GFTWSHPBRRINTH-MTFMMBMASA-N 2 2 316.489 3.434 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)cc1 ZINC000423518115 434469080 /nfs/dbraw/zinc/46/90/80/434469080.db2.gz IFTGJAXUMCYAIY-KXBFYZLASA-N 2 2 312.413 3.118 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(F)cn1 ZINC000287906235 434476315 /nfs/dbraw/zinc/47/63/15/434476315.db2.gz ZXDFSDHQDZAYOH-CYBMUJFWSA-N 2 2 318.396 3.167 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000423523241 434476939 /nfs/dbraw/zinc/47/69/39/434476939.db2.gz MZGATGQGBJKDSH-IUCAKERBSA-N 2 2 323.651 3.286 20 0 DGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1F ZINC000423527351 434476977 /nfs/dbraw/zinc/47/69/77/434476977.db2.gz MJOAWOOHBLKDGI-RPVQJOFSSA-N 2 2 314.404 3.241 20 0 DGADLP CC[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000423541755 434479087 /nfs/dbraw/zinc/47/90/87/434479087.db2.gz AUABYQFLRGDPLN-GOSISDBHSA-N 3 2 303.494 3.004 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccncc1F ZINC000423534041 434482587 /nfs/dbraw/zinc/48/25/87/434482587.db2.gz ZFOOVMZCTCMKBH-XZELYNGVSA-N 2 2 303.425 3.025 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCC[C@H]3CCOC3)C2)cc1 ZINC000400519127 434488067 /nfs/dbraw/zinc/48/80/67/434488067.db2.gz DDTNXWAEVVMKKD-RBUKOAKNSA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCC[C@H]3CCOC3)C2)cc1 ZINC000400519127 434488075 /nfs/dbraw/zinc/48/80/75/434488075.db2.gz DDTNXWAEVVMKKD-RBUKOAKNSA-N 2 2 302.462 3.057 20 0 DGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423567847 434488923 /nfs/dbraw/zinc/48/89/23/434488923.db2.gz VBPCVEPGDMRCJL-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Br)s1 ZINC000423559760 434489473 /nfs/dbraw/zinc/48/94/73/434489473.db2.gz OYYCFVXDJKCZEW-NXEZZACHSA-N 2 2 303.269 3.303 20 0 DGADLP Clc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CC2)cc1Cl ZINC000423560835 434489788 /nfs/dbraw/zinc/48/97/88/434489788.db2.gz JOZAOTAVNSJIJI-IUODEOHRSA-N 2 2 315.244 3.023 20 0 DGADLP CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc2ccccc2o1 ZINC000423578654 434493862 /nfs/dbraw/zinc/49/38/62/434493862.db2.gz USGNCPWCADXDCL-YOEHRIQHSA-N 2 2 302.418 3.098 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cc(O)cc(F)c1 ZINC000348812023 434503851 /nfs/dbraw/zinc/50/38/51/434503851.db2.gz UVHFOLACVJDTBR-UHFFFAOYSA-N 2 2 306.381 3.078 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cc(O)cc(F)c1 ZINC000348812023 434503862 /nfs/dbraw/zinc/50/38/62/434503862.db2.gz UVHFOLACVJDTBR-UHFFFAOYSA-N 2 2 306.381 3.078 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cc(O)cc(F)c1)Cc1ccco1 ZINC000348812023 434503869 /nfs/dbraw/zinc/50/38/69/434503869.db2.gz UVHFOLACVJDTBR-UHFFFAOYSA-N 2 2 306.381 3.078 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cc(O)cc(F)c1)Cc1ccco1 ZINC000348812023 434503880 /nfs/dbraw/zinc/50/38/80/434503880.db2.gz UVHFOLACVJDTBR-UHFFFAOYSA-N 2 2 306.381 3.078 20 0 DGADLP COc1ccc[nH+]c1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398008311 434450882 /nfs/dbraw/zinc/45/08/82/434450882.db2.gz AFTPYGKFMYJBOF-WBVHZDCISA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398008311 434450887 /nfs/dbraw/zinc/45/08/87/434450887.db2.gz AFTPYGKFMYJBOF-WBVHZDCISA-N 2 2 311.429 3.413 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423485553 434451134 /nfs/dbraw/zinc/45/11/34/434451134.db2.gz AWBLVONPBVTCMK-PWSUYJOCSA-N 2 2 303.233 3.023 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000398210181 434456319 /nfs/dbraw/zinc/45/63/19/434456319.db2.gz PHOOOAUQQQEQNU-ZWKOTPCHSA-N 2 2 306.519 3.486 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000398210181 434456329 /nfs/dbraw/zinc/45/63/29/434456329.db2.gz PHOOOAUQQQEQNU-ZWKOTPCHSA-N 2 2 306.519 3.486 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc2c(c1)CCO2 ZINC000348817422 434507600 /nfs/dbraw/zinc/50/76/00/434507600.db2.gz OLVYJTDOJINPCF-UHFFFAOYSA-N 2 2 314.429 3.168 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc2c(c1)CCO2 ZINC000348817422 434507610 /nfs/dbraw/zinc/50/76/10/434507610.db2.gz OLVYJTDOJINPCF-UHFFFAOYSA-N 2 2 314.429 3.168 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000348817422 434507622 /nfs/dbraw/zinc/50/76/22/434507622.db2.gz OLVYJTDOJINPCF-UHFFFAOYSA-N 2 2 314.429 3.168 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000348817422 434507633 /nfs/dbraw/zinc/50/76/33/434507633.db2.gz OLVYJTDOJINPCF-UHFFFAOYSA-N 2 2 314.429 3.168 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)[C@@H]1CC[NH3+] ZINC000404313293 434510856 /nfs/dbraw/zinc/51/08/56/434510856.db2.gz XYBIINMQVFPTNL-ZYHUDNBSSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)[C@@H]1CC[NH3+] ZINC000404313293 434510869 /nfs/dbraw/zinc/51/08/69/434510869.db2.gz XYBIINMQVFPTNL-ZYHUDNBSSA-N 2 2 317.296 3.460 20 0 DGADLP CC(C)n1ccc(C[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)n1 ZINC000348836582 434519957 /nfs/dbraw/zinc/51/99/57/434519957.db2.gz DKUUCSWFCSQXHE-OAHLLOKOSA-N 2 2 324.432 3.147 20 0 DGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000423775920 434528252 /nfs/dbraw/zinc/52/82/52/434528252.db2.gz PRDQNUXRDJROBW-OAHLLOKOSA-N 2 2 314.433 3.348 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(-n3cccn3)cc2)c[nH+]1 ZINC000353928851 434530851 /nfs/dbraw/zinc/53/08/51/434530851.db2.gz LYNHJMIFHINPKD-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000423817477 434546519 /nfs/dbraw/zinc/54/65/19/434546519.db2.gz XZTGAOLPNKLART-UHFFFAOYSA-N 2 2 314.433 3.154 20 0 DGADLP CCN(C)c1ccc(CNc2[nH+]ccn2-c2ccccc2)c[nH+]1 ZINC000438925768 434546786 /nfs/dbraw/zinc/54/67/86/434546786.db2.gz AWXWDWVWGFCJFA-UHFFFAOYSA-N 2 2 307.401 3.336 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272019 295008648 /nfs/dbraw/zinc/00/86/48/295008648.db2.gz NHSDODSJSXDZPO-AWEZNQCLSA-N 2 2 324.852 3.375 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272019 295008649 /nfs/dbraw/zinc/00/86/49/295008649.db2.gz NHSDODSJSXDZPO-AWEZNQCLSA-N 2 2 324.852 3.375 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272019 295008650 /nfs/dbraw/zinc/00/86/50/295008650.db2.gz NHSDODSJSXDZPO-AWEZNQCLSA-N 2 2 324.852 3.375 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000525272019 295008651 /nfs/dbraw/zinc/00/86/51/295008651.db2.gz NHSDODSJSXDZPO-AWEZNQCLSA-N 2 2 324.852 3.375 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)c2C1 ZINC000354004623 434567552 /nfs/dbraw/zinc/56/75/52/434567552.db2.gz ZKVLVMQNKHNLLL-QGZVFWFLSA-N 2 2 324.428 3.125 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)c2C1 ZINC000354004623 434567557 /nfs/dbraw/zinc/56/75/57/434567557.db2.gz ZKVLVMQNKHNLLL-QGZVFWFLSA-N 2 2 324.428 3.125 20 0 DGADLP C[C@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000527283913 295088974 /nfs/dbraw/zinc/08/89/74/295088974.db2.gz PMYDOSBSGOCLTB-STQMWFEESA-N 2 2 308.389 3.059 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000527638459 295108011 /nfs/dbraw/zinc/10/80/11/295108011.db2.gz WGCCUXONKOYLDX-JTQLQIEISA-N 2 2 300.780 3.192 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000527638459 295108013 /nfs/dbraw/zinc/10/80/13/295108013.db2.gz WGCCUXONKOYLDX-JTQLQIEISA-N 2 2 300.780 3.192 20 0 DGADLP FC(F)(F)c1sccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000527696150 295116935 /nfs/dbraw/zinc/11/69/35/295116935.db2.gz STNACZJHVWOXRQ-JTQLQIEISA-N 2 2 301.337 3.068 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000527798633 295132007 /nfs/dbraw/zinc/13/20/07/295132007.db2.gz GTSXMXRAUSQUTP-DOMZBBRYSA-N 2 2 315.436 3.373 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000527798633 295132008 /nfs/dbraw/zinc/13/20/08/295132008.db2.gz GTSXMXRAUSQUTP-DOMZBBRYSA-N 2 2 315.436 3.373 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CC12CC2 ZINC000527872272 295143527 /nfs/dbraw/zinc/14/35/27/295143527.db2.gz SMLKSGDYFMNTOY-DLBZAZTESA-N 2 2 306.494 3.047 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999209 295163180 /nfs/dbraw/zinc/16/31/80/295163180.db2.gz FRHCIRZCEICVIY-IUODEOHRSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000527999209 295163182 /nfs/dbraw/zinc/16/31/82/295163182.db2.gz FRHCIRZCEICVIY-IUODEOHRSA-N 2 2 315.417 3.201 20 0 DGADLP COc1ccc[nH+]c1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000528016529 295167135 /nfs/dbraw/zinc/16/71/35/295167135.db2.gz BHVDHMMGZPDQRE-HXUWFJFHSA-N 2 2 323.440 3.193 20 0 DGADLP COc1ccc[nH+]c1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000528016529 295167138 /nfs/dbraw/zinc/16/71/38/295167138.db2.gz BHVDHMMGZPDQRE-HXUWFJFHSA-N 2 2 323.440 3.193 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1Oc1cc[nH+]cc1 ZINC000423918244 434579124 /nfs/dbraw/zinc/57/91/24/434579124.db2.gz YOIDQWMTWDQOPJ-MRXNPFEDSA-N 2 2 311.385 3.263 20 0 DGADLP Cc1cc(NC(=O)C2CC[NH2+]CC2)ccc1Oc1cc[nH+]cc1 ZINC000423918728 434579172 /nfs/dbraw/zinc/57/91/72/434579172.db2.gz YXZFPJUZKOLALH-UHFFFAOYSA-N 2 2 311.385 3.120 20 0 DGADLP Clc1cccnc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424157 295211913 /nfs/dbraw/zinc/21/19/13/295211913.db2.gz KYCDAMASSBIMCJ-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528424157 295211916 /nfs/dbraw/zinc/21/19/16/295211916.db2.gz KYCDAMASSBIMCJ-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424157 295211919 /nfs/dbraw/zinc/21/19/19/295211919.db2.gz KYCDAMASSBIMCJ-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528424157 295211921 /nfs/dbraw/zinc/21/19/21/295211921.db2.gz KYCDAMASSBIMCJ-CXAGYDPISA-N 2 2 305.853 3.184 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286043847 295238830 /nfs/dbraw/zinc/23/88/30/295238830.db2.gz KRCKFYHJAVJWTQ-QEJZJMRPSA-N 2 2 318.461 3.288 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286043847 295238832 /nfs/dbraw/zinc/23/88/32/295238832.db2.gz KRCKFYHJAVJWTQ-QEJZJMRPSA-N 2 2 318.461 3.288 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459504992 434589050 /nfs/dbraw/zinc/58/90/50/434589050.db2.gz JLXHXEXNWSKPOI-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000459504992 434589051 /nfs/dbraw/zinc/58/90/51/434589051.db2.gz JLXHXEXNWSKPOI-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000471841808 295261554 /nfs/dbraw/zinc/26/15/54/295261554.db2.gz ZUYVBYHHKGDXOS-FUHWJXTLSA-N 2 2 315.486 3.315 20 0 DGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cscn1 ZINC000471841808 295261555 /nfs/dbraw/zinc/26/15/55/295261555.db2.gz ZUYVBYHHKGDXOS-FUHWJXTLSA-N 2 2 315.486 3.315 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000166247532 295276505 /nfs/dbraw/zinc/27/65/05/295276505.db2.gz IVLULAINQXZIGN-SUNYJGFJSA-N 2 2 316.445 3.124 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000166247532 295276506 /nfs/dbraw/zinc/27/65/06/295276506.db2.gz IVLULAINQXZIGN-SUNYJGFJSA-N 2 2 316.445 3.124 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(OC(F)F)c1)CC2 ZINC000360345481 434584215 /nfs/dbraw/zinc/58/42/15/434584215.db2.gz QJNKCKFRACPTET-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1cccc(OC(F)F)c1)CC2 ZINC000360345481 434584219 /nfs/dbraw/zinc/58/42/19/434584219.db2.gz QJNKCKFRACPTET-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354045439 434593706 /nfs/dbraw/zinc/59/37/06/434593706.db2.gz UFCSNFZDRNLVBS-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354045439 434593709 /nfs/dbraw/zinc/59/37/09/434593709.db2.gz UFCSNFZDRNLVBS-MRXNPFEDSA-N 2 2 318.804 3.397 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)C[C@H]2COc3ccccc3O2)c[nH+]1 ZINC000349062686 434593824 /nfs/dbraw/zinc/59/38/24/434593824.db2.gz NKHYZXZOYJPMHE-KRWDZBQOSA-N 2 2 312.413 3.094 20 0 DGADLP Cc1ccc(CCC[N@H+](C)C[C@H]2COc3ccccc3O2)c[nH+]1 ZINC000349062686 434593830 /nfs/dbraw/zinc/59/38/30/434593830.db2.gz NKHYZXZOYJPMHE-KRWDZBQOSA-N 2 2 312.413 3.094 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354109054 434624589 /nfs/dbraw/zinc/62/45/89/434624589.db2.gz IIXSXJQRJNEXBG-HOCLYGCPSA-N 2 2 323.506 3.158 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354109054 434624597 /nfs/dbraw/zinc/62/45/97/434624597.db2.gz IIXSXJQRJNEXBG-HOCLYGCPSA-N 2 2 323.506 3.158 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]c3c(C)cccn13)CC2 ZINC000439767975 434645568 /nfs/dbraw/zinc/64/55/68/434645568.db2.gz PZPFRBSHAKWVEG-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](Cc1c[nH+]c3c(C)cccn13)CC2 ZINC000439767975 434645574 /nfs/dbraw/zinc/64/55/74/434645574.db2.gz PZPFRBSHAKWVEG-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(F)cc(C)cc1F)CCC2 ZINC000424137652 434634561 /nfs/dbraw/zinc/63/45/61/434634561.db2.gz CGXGROWAXBQTNU-ZDUSSCGKSA-N 2 2 305.372 3.445 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2ccn(-c3ccccc3)n2)c[nH+]1 ZINC000354134479 434638144 /nfs/dbraw/zinc/63/81/44/434638144.db2.gz SPSYJRKIOGDMSA-UHFFFAOYSA-N 2 2 320.440 3.341 20 0 DGADLP OCC1([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)CCCC1 ZINC000459544964 434600391 /nfs/dbraw/zinc/60/03/91/434600391.db2.gz OKBHBIVODZBKFL-GOSISDBHSA-N 2 2 313.445 3.157 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000459558438 434607030 /nfs/dbraw/zinc/60/70/30/434607030.db2.gz NOGZYRGOYIUGNO-GOSISDBHSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000459558438 434607039 /nfs/dbraw/zinc/60/70/39/434607039.db2.gz NOGZYRGOYIUGNO-GOSISDBHSA-N 2 2 313.445 3.375 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000459672841 434656274 /nfs/dbraw/zinc/65/62/74/434656274.db2.gz GWIRDXPQEPSNBX-VHBXLISGSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CCC([NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459672841 434656277 /nfs/dbraw/zinc/65/62/77/434656277.db2.gz GWIRDXPQEPSNBX-VHBXLISGSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000354181383 434659726 /nfs/dbraw/zinc/65/97/26/434659726.db2.gz LYPLNNZLBWJOBT-JZXOWHBKSA-N 3 2 303.494 3.279 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000354181383 434659733 /nfs/dbraw/zinc/65/97/33/434659733.db2.gz LYPLNNZLBWJOBT-JZXOWHBKSA-N 3 2 303.494 3.279 20 0 DGADLP Cc1cc(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc(C)[nH+]1 ZINC000424207094 434659927 /nfs/dbraw/zinc/65/99/27/434659927.db2.gz WXHVWZHWFKVGIY-GOSISDBHSA-N 2 2 317.477 3.393 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000354188799 434663618 /nfs/dbraw/zinc/66/36/18/434663618.db2.gz KFPGSCXGPDMSCE-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP Cc1cccc(CN(CC[NH+](C)C)Cc2cccc3[nH+]ccn32)c1 ZINC000349315681 434670687 /nfs/dbraw/zinc/67/06/87/434670687.db2.gz MIMQYWSJNVDXNP-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000349319845 434670967 /nfs/dbraw/zinc/67/09/67/434670967.db2.gz GMQGTGFEIWSDRJ-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000349319845 434670976 /nfs/dbraw/zinc/67/09/76/434670976.db2.gz GMQGTGFEIWSDRJ-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP Cc1nc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000354384973 434745647 /nfs/dbraw/zinc/74/56/47/434745647.db2.gz HRUGUTPIGMEJSB-DCGLDWPTSA-N 2 2 302.466 3.243 20 0 DGADLP c1cn(CCCC2CC[NH+](CCOCC3CCC3)CC2)c[nH+]1 ZINC000419236964 434753863 /nfs/dbraw/zinc/75/38/63/434753863.db2.gz BMMUNXDHNIMBMU-UHFFFAOYSA-N 2 2 305.466 3.192 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354284488 434705130 /nfs/dbraw/zinc/70/51/30/434705130.db2.gz XEOQHRGXDUZVOD-SJLPKXTDSA-N 3 2 314.477 3.325 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccn(C)n1 ZINC000459767369 434707869 /nfs/dbraw/zinc/70/78/69/434707869.db2.gz WUAULCFCQTZFLR-RYRKJORJSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccn(C)n1 ZINC000459767369 434707873 /nfs/dbraw/zinc/70/78/73/434707873.db2.gz WUAULCFCQTZFLR-RYRKJORJSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccn(C)n1 ZINC000459767376 434708940 /nfs/dbraw/zinc/70/89/40/434708940.db2.gz WUAULCFCQTZFLR-XYJFISCASA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccn(C)n1 ZINC000459767376 434708946 /nfs/dbraw/zinc/70/89/46/434708946.db2.gz WUAULCFCQTZFLR-XYJFISCASA-N 2 2 312.461 3.124 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2cc(C)ccn12 ZINC000349414593 434709271 /nfs/dbraw/zinc/70/92/71/434709271.db2.gz HSTWDNNEMUUTCR-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2cc(C)ccn12 ZINC000349414593 434709280 /nfs/dbraw/zinc/70/92/80/434709280.db2.gz HSTWDNNEMUUTCR-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000424376152 434715263 /nfs/dbraw/zinc/71/52/63/434715263.db2.gz ORJYKMFMDAKPJH-INDMIFKZSA-N 2 2 300.446 3.267 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCCC1 ZINC000459777059 434716549 /nfs/dbraw/zinc/71/65/49/434716549.db2.gz ROKYEMJPUMNXJT-SFHVURJKSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000360883690 434719479 /nfs/dbraw/zinc/71/94/79/434719479.db2.gz KVSNXZLSACQVBY-OCCSQVGLSA-N 2 2 323.362 3.438 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332920 434763232 /nfs/dbraw/zinc/76/32/32/434763232.db2.gz OJRZSIIBUORTGM-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332920 434763234 /nfs/dbraw/zinc/76/32/34/434763234.db2.gz OJRZSIIBUORTGM-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332920 434763237 /nfs/dbraw/zinc/76/32/37/434763237.db2.gz OJRZSIIBUORTGM-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411332920 434763241 /nfs/dbraw/zinc/76/32/41/434763241.db2.gz OJRZSIIBUORTGM-CQSZACIVSA-N 2 2 317.408 3.254 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361028497 434772510 /nfs/dbraw/zinc/77/25/10/434772510.db2.gz CTFOHSDGRHYDDX-QKLQHJQFSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361028497 434772517 /nfs/dbraw/zinc/77/25/17/434772517.db2.gz CTFOHSDGRHYDDX-QKLQHJQFSA-N 2 2 309.457 3.123 20 0 DGADLP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1OCCc2ccccc21 ZINC000444595060 434787136 /nfs/dbraw/zinc/78/71/36/434787136.db2.gz VJPQZLGRSGRXDS-IBGZPJMESA-N 2 2 302.462 3.108 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1OCCc2ccccc21 ZINC000444595060 434787139 /nfs/dbraw/zinc/78/71/39/434787139.db2.gz VJPQZLGRSGRXDS-IBGZPJMESA-N 2 2 302.462 3.108 20 0 DGADLP CC(C)c1nnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000361075904 434787451 /nfs/dbraw/zinc/78/74/51/434787451.db2.gz UYGONYYYXBWLHE-UHFFFAOYSA-N 2 2 317.437 3.082 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccncn2)CC1 ZINC000453072513 434790885 /nfs/dbraw/zinc/79/08/85/434790885.db2.gz YPVUEMNKTPNSKU-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)Cc2cnccn2)[NH+]2CCCC2)cc1 ZINC000453086395 434796971 /nfs/dbraw/zinc/79/69/71/434796971.db2.gz KYTXNSBBYDOYIY-XLIONFOSSA-N 2 2 324.472 3.143 20 0 DGADLP Cn1nccc1C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411656645 434812578 /nfs/dbraw/zinc/81/25/78/434812578.db2.gz BZIHRSWEURADHS-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP Cn1nccc1C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411656645 434812583 /nfs/dbraw/zinc/81/25/83/434812583.db2.gz BZIHRSWEURADHS-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccncn2)c(C)c1 ZINC000453171553 434821818 /nfs/dbraw/zinc/82/18/18/434821818.db2.gz MGPPMFYXZYETFK-LPHOPBHVSA-N 2 2 321.428 3.382 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361188885 434824974 /nfs/dbraw/zinc/82/49/74/434824974.db2.gz UMYQBJXCEUHABT-YIKOMLBNSA-N 2 2 310.388 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361188885 434824978 /nfs/dbraw/zinc/82/49/78/434824978.db2.gz UMYQBJXCEUHABT-YIKOMLBNSA-N 2 2 310.388 3.107 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000453208997 434829850 /nfs/dbraw/zinc/82/98/50/434829850.db2.gz KWJPGBQTCINJRW-APWZRJJASA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000453208997 434829854 /nfs/dbraw/zinc/82/98/54/434829854.db2.gz KWJPGBQTCINJRW-APWZRJJASA-N 2 2 301.478 3.399 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268037 434844276 /nfs/dbraw/zinc/84/42/76/434844276.db2.gz PSVMZJFWFZGPDQ-MSOLQXFVSA-N 2 2 324.896 3.474 20 0 DGADLP CC(C)[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268037 434844278 /nfs/dbraw/zinc/84/42/78/434844278.db2.gz PSVMZJFWFZGPDQ-MSOLQXFVSA-N 2 2 324.896 3.474 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000453274538 434845875 /nfs/dbraw/zinc/84/58/75/434845875.db2.gz WKMDMPCUZAIQOL-AEFFLSMTSA-N 2 2 322.518 3.416 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000453274538 434845879 /nfs/dbraw/zinc/84/58/79/434845879.db2.gz WKMDMPCUZAIQOL-AEFFLSMTSA-N 2 2 322.518 3.416 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000553095027 434878033 /nfs/dbraw/zinc/87/80/33/434878033.db2.gz CBOUHXFZYVRPDG-SJLPKXTDSA-N 2 2 324.509 3.208 20 0 DGADLP CC(C)c1nc(N2CCC(CC[NH3+])CC2)cc(C(C)(C)C)[nH+]1 ZINC000573447946 434901527 /nfs/dbraw/zinc/90/15/27/434901527.db2.gz FBVSFDDURZEMDZ-UHFFFAOYSA-N 2 2 304.482 3.463 20 0 DGADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000554047230 434911175 /nfs/dbraw/zinc/91/11/75/434911175.db2.gz CFABRIMQPSXOGA-MSOLQXFVSA-N 2 2 306.494 3.047 20 0 DGADLP COCC(C)(C)CCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000554093229 434914180 /nfs/dbraw/zinc/91/41/80/434914180.db2.gz XZKCOMWKBAEGMJ-IBGZPJMESA-N 2 2 318.505 3.346 20 0 DGADLP COCC(C)(C)CCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000554093229 434914187 /nfs/dbraw/zinc/91/41/87/434914187.db2.gz XZKCOMWKBAEGMJ-IBGZPJMESA-N 2 2 318.505 3.346 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000573664324 434915554 /nfs/dbraw/zinc/91/55/54/434915554.db2.gz SIUBHPUGDRVBML-CABCVRRESA-N 2 2 305.466 3.291 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000573010691 434867887 /nfs/dbraw/zinc/86/78/87/434867887.db2.gz MGSDLGUQRLYIJA-AEFFLSMTSA-N 2 2 304.478 3.159 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000573010691 434867892 /nfs/dbraw/zinc/86/78/92/434867892.db2.gz MGSDLGUQRLYIJA-AEFFLSMTSA-N 2 2 304.478 3.159 20 0 DGADLP CCC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000492211650 434935516 /nfs/dbraw/zinc/93/55/16/434935516.db2.gz UMZGHQSRUBVBSL-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP CCC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000492211650 434935521 /nfs/dbraw/zinc/93/55/21/434935521.db2.gz UMZGHQSRUBVBSL-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CC2CCCCC2)CC1 ZINC000462906084 434936291 /nfs/dbraw/zinc/93/62/91/434936291.db2.gz KQPSGZXVDNUSLG-INIZCTEOSA-N 2 2 324.509 3.353 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000462964483 434938740 /nfs/dbraw/zinc/93/87/40/434938740.db2.gz JHMONAQMQAWTKE-TYNCELHUSA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000462964483 434938743 /nfs/dbraw/zinc/93/87/43/434938743.db2.gz JHMONAQMQAWTKE-TYNCELHUSA-N 2 2 308.372 3.005 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998364 434942799 /nfs/dbraw/zinc/94/27/99/434942799.db2.gz RKMAWRIVEMXVSG-HOCLYGCPSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998364 434942805 /nfs/dbraw/zinc/94/28/05/434942805.db2.gz RKMAWRIVEMXVSG-HOCLYGCPSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998364 434942807 /nfs/dbraw/zinc/94/28/07/434942807.db2.gz RKMAWRIVEMXVSG-HOCLYGCPSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998364 434942812 /nfs/dbraw/zinc/94/28/12/434942812.db2.gz RKMAWRIVEMXVSG-HOCLYGCPSA-N 2 2 304.434 3.128 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463235866 434949252 /nfs/dbraw/zinc/94/92/52/434949252.db2.gz FWKDJJSSOXXURR-IBGZPJMESA-N 2 2 315.505 3.365 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463235866 434949257 /nfs/dbraw/zinc/94/92/57/434949257.db2.gz FWKDJJSSOXXURR-IBGZPJMESA-N 2 2 315.505 3.365 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC000638148856 434964707 /nfs/dbraw/zinc/96/47/07/434964707.db2.gz AGRYTCTWNUHLFE-AWEZNQCLSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC000638148856 434964710 /nfs/dbraw/zinc/96/47/10/434964710.db2.gz AGRYTCTWNUHLFE-AWEZNQCLSA-N 2 2 312.442 3.466 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183077 434972602 /nfs/dbraw/zinc/97/26/02/434972602.db2.gz SRQQMCBMBDRQLL-WMLDXEAASA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183077 434972605 /nfs/dbraw/zinc/97/26/05/434972605.db2.gz SRQQMCBMBDRQLL-WMLDXEAASA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000638183077 434972609 /nfs/dbraw/zinc/97/26/09/434972609.db2.gz SRQQMCBMBDRQLL-WMLDXEAASA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000638183077 434972613 /nfs/dbraw/zinc/97/26/13/434972613.db2.gz SRQQMCBMBDRQLL-WMLDXEAASA-N 2 2 321.415 3.468 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638186492 434975118 /nfs/dbraw/zinc/97/51/18/434975118.db2.gz VFDUAYNECHBOOU-DZGCQCFKSA-N 2 2 309.404 3.202 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464059099 434975382 /nfs/dbraw/zinc/97/53/82/434975382.db2.gz MZLQTMADVQQEPN-QRQLOZEOSA-N 2 2 316.489 3.269 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976286 434921765 /nfs/dbraw/zinc/92/17/65/434921765.db2.gz BBLSIBPVMPMBFX-HZPDHXFCSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976286 434921769 /nfs/dbraw/zinc/92/17/69/434921769.db2.gz BBLSIBPVMPMBFX-HZPDHXFCSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000637976286 434921774 /nfs/dbraw/zinc/92/17/74/434921774.db2.gz BBLSIBPVMPMBFX-HZPDHXFCSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000637976286 434921778 /nfs/dbraw/zinc/92/17/78/434921778.db2.gz BBLSIBPVMPMBFX-HZPDHXFCSA-N 2 2 319.468 3.494 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000637978061 434922544 /nfs/dbraw/zinc/92/25/44/434922544.db2.gz MZTOKRRJAGTFNQ-MRXNPFEDSA-N 2 2 307.507 3.395 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)sn1 ZINC000637978061 434922547 /nfs/dbraw/zinc/92/25/47/434922547.db2.gz MZTOKRRJAGTFNQ-MRXNPFEDSA-N 2 2 307.507 3.395 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976284 434922884 /nfs/dbraw/zinc/92/28/84/434922884.db2.gz BBLSIBPVMPMBFX-HOTGVXAUSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2N)C1 ZINC000637976284 434922886 /nfs/dbraw/zinc/92/28/86/434922886.db2.gz BBLSIBPVMPMBFX-HOTGVXAUSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000637976284 434922894 /nfs/dbraw/zinc/92/28/94/434922894.db2.gz BBLSIBPVMPMBFX-HOTGVXAUSA-N 2 2 319.468 3.494 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000637976284 434922897 /nfs/dbraw/zinc/92/28/97/434922897.db2.gz BBLSIBPVMPMBFX-HOTGVXAUSA-N 2 2 319.468 3.494 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC([NH2+]C(C)C)CC1)CC2 ZINC000637998538 434925960 /nfs/dbraw/zinc/92/59/60/434925960.db2.gz JUBOSJQLCOZCCT-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462839908 434933230 /nfs/dbraw/zinc/93/32/30/434933230.db2.gz OZSMIVXXVTYVHV-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462839908 434933233 /nfs/dbraw/zinc/93/32/33/434933233.db2.gz OZSMIVXXVTYVHV-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCCC2 ZINC000556610072 435014400 /nfs/dbraw/zinc/01/44/00/435014400.db2.gz XTOPYDALVAOWOQ-IRXDYDNUSA-N 2 2 317.477 3.437 20 0 DGADLP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)cc1O ZINC000638384754 435019403 /nfs/dbraw/zinc/01/94/03/435019403.db2.gz YQMPIXIVINGXSR-UHFFFAOYSA-N 2 2 324.852 3.018 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000638426512 435028932 /nfs/dbraw/zinc/02/89/32/435028932.db2.gz RUBPILUERLDXCE-UHFFFAOYSA-N 2 2 310.445 3.045 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2nc3ccccc3nc2C)CC1 ZINC000638430053 435029498 /nfs/dbraw/zinc/02/94/98/435029498.db2.gz OMORMWDUUAVONP-UHFFFAOYSA-N 2 2 312.461 3.292 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598012 434980091 /nfs/dbraw/zinc/98/00/91/434980091.db2.gz MMNOOOZZQORIDN-UKRRQHHQSA-N 2 2 322.415 3.293 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598012 434980095 /nfs/dbraw/zinc/98/00/95/434980095.db2.gz MMNOOOZZQORIDN-UKRRQHHQSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598012 434980096 /nfs/dbraw/zinc/98/00/96/434980096.db2.gz MMNOOOZZQORIDN-UKRRQHHQSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598012 434980099 /nfs/dbraw/zinc/98/00/99/434980099.db2.gz MMNOOOZZQORIDN-UKRRQHHQSA-N 2 2 322.415 3.293 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)[NH+]2CCCC2)c1 ZINC000638317686 435002933 /nfs/dbraw/zinc/00/29/33/435002933.db2.gz QKNISSGYOUHGAU-XKQJLSEDSA-N 2 2 324.415 3.465 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000638348459 435010278 /nfs/dbraw/zinc/01/02/78/435010278.db2.gz LPCYFSNTXKCTAI-UHFFFAOYSA-N 2 2 312.461 3.148 20 0 DGADLP C[NH+](C)C1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000557633225 435060692 /nfs/dbraw/zinc/06/06/92/435060692.db2.gz JGCZPYOUHRUIAO-UHFFFAOYSA-N 2 2 309.417 3.396 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000638669781 435067689 /nfs/dbraw/zinc/06/76/89/435067689.db2.gz BOMVJEPGHMKAQP-SWLSCSKDSA-N 2 2 322.503 3.081 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000638669781 435067692 /nfs/dbraw/zinc/06/76/92/435067692.db2.gz BOMVJEPGHMKAQP-SWLSCSKDSA-N 2 2 322.503 3.081 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)[C@H]1c1cccs1 ZINC000638670823 435068296 /nfs/dbraw/zinc/06/82/96/435068296.db2.gz LJAIZBDVUZYGAR-WFASDCNBSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)[C@H]1c1cccs1 ZINC000638670823 435068299 /nfs/dbraw/zinc/06/82/99/435068299.db2.gz LJAIZBDVUZYGAR-WFASDCNBSA-N 2 2 307.488 3.377 20 0 DGADLP COCC1(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CCC1 ZINC000638701498 435074315 /nfs/dbraw/zinc/07/43/15/435074315.db2.gz VGDHKBNKTQRAAV-QGZVFWFLSA-N 2 2 313.445 3.110 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638711152 435075056 /nfs/dbraw/zinc/07/50/56/435075056.db2.gz XMWZKVWXMQHPCP-CABZTGNLSA-N 2 2 302.249 3.148 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638711152 435075059 /nfs/dbraw/zinc/07/50/59/435075059.db2.gz XMWZKVWXMQHPCP-CABZTGNLSA-N 2 2 302.249 3.148 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578314289 435075401 /nfs/dbraw/zinc/07/54/01/435075401.db2.gz HEROELJAYAJTTO-OWCLPIDISA-N 2 2 318.852 3.022 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000638733229 435079834 /nfs/dbraw/zinc/07/98/34/435079834.db2.gz GTUQNPMIQZQBFT-UHFFFAOYSA-N 2 2 324.472 3.435 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@@H+]1C1CC1 ZINC000638759964 435084087 /nfs/dbraw/zinc/08/40/87/435084087.db2.gz OLARZOKRAMKSCH-JOYOIKCWSA-N 2 2 314.260 3.290 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@H+]1C1CC1 ZINC000638759964 435084090 /nfs/dbraw/zinc/08/40/90/435084090.db2.gz OLARZOKRAMKSCH-JOYOIKCWSA-N 2 2 314.260 3.290 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2N)C[N@@H+]1Cc1ccccc1 ZINC000638760025 435085073 /nfs/dbraw/zinc/08/50/73/435085073.db2.gz OJTWQXBSLJDJPC-WMLDXEAASA-N 2 2 313.420 3.161 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2N)C[N@H+]1Cc1ccccc1 ZINC000638760025 435085076 /nfs/dbraw/zinc/08/50/76/435085076.db2.gz OJTWQXBSLJDJPC-WMLDXEAASA-N 2 2 313.420 3.161 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000578494423 435088146 /nfs/dbraw/zinc/08/81/46/435088146.db2.gz SCJJGSDXPQNZPB-HJZRJOMTSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000578494423 435088149 /nfs/dbraw/zinc/08/81/49/435088149.db2.gz SCJJGSDXPQNZPB-HJZRJOMTSA-N 2 2 302.462 3.195 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000578519046 435088900 /nfs/dbraw/zinc/08/89/00/435088900.db2.gz MUMRWHUVKQLXQH-JSGCOSHPSA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)cc1 ZINC000578519046 435088905 /nfs/dbraw/zinc/08/89/05/435088905.db2.gz MUMRWHUVKQLXQH-JSGCOSHPSA-N 2 2 317.458 3.130 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638456835 435035879 /nfs/dbraw/zinc/03/58/79/435035879.db2.gz GNQOOCGEGDBUMN-UYAOXDASSA-N 3 2 324.472 3.149 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638456835 435035885 /nfs/dbraw/zinc/03/58/85/435035885.db2.gz GNQOOCGEGDBUMN-UYAOXDASSA-N 3 2 324.472 3.149 20 0 DGADLP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)OC ZINC000638788208 435089920 /nfs/dbraw/zinc/08/99/20/435089920.db2.gz DROPTPZCXZWHJJ-TXPKVOOTSA-N 2 2 319.493 3.258 20 0 DGADLP CC1CC[NH+](Cc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)CC1 ZINC000492762544 435045032 /nfs/dbraw/zinc/04/50/32/435045032.db2.gz HQCDCSSXBDIBBE-SREVYHEPSA-N 2 2 324.428 3.294 20 0 DGADLP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638596683 435055914 /nfs/dbraw/zinc/05/59/14/435055914.db2.gz OFVWGOGQMHXLNS-GTPINHCMSA-N 2 2 304.482 3.077 20 0 DGADLP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638596683 435055919 /nfs/dbraw/zinc/05/59/19/435055919.db2.gz OFVWGOGQMHXLNS-GTPINHCMSA-N 2 2 304.482 3.077 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CC(n2cccn2)C1)c1ccccc1 ZINC000638601428 435057960 /nfs/dbraw/zinc/05/79/60/435057960.db2.gz NLWJHIGNKJDJRM-FAEJEUNOSA-N 2 2 312.461 3.306 20 0 DGADLP Cc1cc(NC(=O)/C=C/C[NH+](C)C)ccc1Oc1cc[nH+]cc1 ZINC000493020257 435093056 /nfs/dbraw/zinc/09/30/56/435093056.db2.gz RYFVHUAOKYHXEF-SNAWJCMRSA-N 2 2 311.385 3.239 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cccc(F)c1N)[NH+](C)C ZINC000639089349 435149492 /nfs/dbraw/zinc/14/94/92/435149492.db2.gz BPOGSUSHSZZTER-AUUYWEPGSA-N 2 2 315.436 3.497 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000638865976 435107269 /nfs/dbraw/zinc/10/72/69/435107269.db2.gz NGIMNRTYWPMVAA-LPHOPBHVSA-N 2 2 311.429 3.441 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000638865976 435107273 /nfs/dbraw/zinc/10/72/73/435107273.db2.gz NGIMNRTYWPMVAA-LPHOPBHVSA-N 2 2 311.429 3.441 20 0 DGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000531684087 435108879 /nfs/dbraw/zinc/10/88/79/435108879.db2.gz NXUMIRZOUZFTKZ-MRXNPFEDSA-N 2 2 315.417 3.175 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000578766008 435109517 /nfs/dbraw/zinc/10/95/17/435109517.db2.gz WGKWMYMAVVGDJD-QGZVFWFLSA-N 2 2 324.472 3.143 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]CCC1CCOCC1)[NH+](C)C ZINC000639089290 435149704 /nfs/dbraw/zinc/14/97/04/435149704.db2.gz AMCNOYOLDMMCCK-QFBILLFUSA-N 2 2 304.478 3.393 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917177 435115906 /nfs/dbraw/zinc/11/59/06/435115906.db2.gz AXGKBZPUMILNDS-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917177 435115911 /nfs/dbraw/zinc/11/59/11/435115911.db2.gz AXGKBZPUMILNDS-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917177 435115914 /nfs/dbraw/zinc/11/59/14/435115914.db2.gz AXGKBZPUMILNDS-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)[C@@H]2C1 ZINC000638917177 435115917 /nfs/dbraw/zinc/11/59/17/435115917.db2.gz AXGKBZPUMILNDS-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000559307128 435128079 /nfs/dbraw/zinc/12/80/79/435128079.db2.gz OOOAMVIBJPLMKQ-VHDGCEQUSA-N 2 2 300.368 3.262 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000559307128 435128082 /nfs/dbraw/zinc/12/80/82/435128082.db2.gz OOOAMVIBJPLMKQ-VHDGCEQUSA-N 2 2 300.368 3.262 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC[C@H]1CCO1 ZINC000639051914 435137699 /nfs/dbraw/zinc/13/76/99/435137699.db2.gz ARQSGKMNPYLTJA-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC[C@H]1CCO1 ZINC000639051914 435137702 /nfs/dbraw/zinc/13/77/02/435137702.db2.gz ARQSGKMNPYLTJA-OALUTQOASA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CC1 ZINC000639177941 435184778 /nfs/dbraw/zinc/18/47/78/435184778.db2.gz DGNDFMRVCPYKCT-GBESFXJTSA-N 2 2 311.429 3.126 20 0 DGADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494412831 435195240 /nfs/dbraw/zinc/19/52/40/435195240.db2.gz LTBAZVWDVQPWNL-WXRRBKDZSA-N 2 2 301.356 3.156 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000494479622 435195772 /nfs/dbraw/zinc/19/57/72/435195772.db2.gz WHFXDWYCBZKANW-SNRMKQJTSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000494479622 435195775 /nfs/dbraw/zinc/19/57/75/435195775.db2.gz WHFXDWYCBZKANW-SNRMKQJTSA-N 2 2 302.462 3.369 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000474705045 435157340 /nfs/dbraw/zinc/15/73/40/435157340.db2.gz BUEGUOSZCFMMPF-HFCFLWKCSA-N 2 2 324.509 3.353 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000474705045 435157343 /nfs/dbraw/zinc/15/73/43/435157343.db2.gz BUEGUOSZCFMMPF-HFCFLWKCSA-N 2 2 324.509 3.353 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000474705249 435157403 /nfs/dbraw/zinc/15/74/03/435157403.db2.gz DTGUDPDJUJIJJE-OAHLLOKOSA-N 2 2 320.477 3.295 20 0 DGADLP CC[C@](C)(C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)OC ZINC000639121034 435163382 /nfs/dbraw/zinc/16/33/82/435163382.db2.gz LYTSDADUUOBEBE-YMAMQOFZSA-N 2 2 322.415 3.196 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000474823974 435163996 /nfs/dbraw/zinc/16/39/96/435163996.db2.gz XLFPGQFORCKLME-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000474823974 435164002 /nfs/dbraw/zinc/16/40/02/435164002.db2.gz XLFPGQFORCKLME-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532441005 435166098 /nfs/dbraw/zinc/16/60/98/435166098.db2.gz OKIXHPUYPGVDGN-KBXCAEBGSA-N 2 2 322.880 3.274 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000474925858 435166422 /nfs/dbraw/zinc/16/64/22/435166422.db2.gz JKBWNJCYPSGHDJ-GTAWCEEGSA-N 2 2 316.489 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000474925858 435166426 /nfs/dbraw/zinc/16/64/26/435166426.db2.gz JKBWNJCYPSGHDJ-GTAWCEEGSA-N 2 2 316.489 3.302 20 0 DGADLP CCC[C@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000532474769 435170730 /nfs/dbraw/zinc/17/07/30/435170730.db2.gz ACBGAOGNSBRKRI-IBGZPJMESA-N 2 2 317.521 3.363 20 0 DGADLP CC(C)[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000532518864 435173947 /nfs/dbraw/zinc/17/39/47/435173947.db2.gz AAJHOKPKKMZHKX-SFHVURJKSA-N 2 2 308.510 3.293 20 0 DGADLP CC[C@@](C)(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157160 435176248 /nfs/dbraw/zinc/17/62/48/435176248.db2.gz SACUCGLALKCBBS-QAPCUYQASA-N 2 2 305.466 3.214 20 0 DGADLP CC[C@@](C)(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639157160 435176252 /nfs/dbraw/zinc/17/62/52/435176252.db2.gz SACUCGLALKCBBS-QAPCUYQASA-N 2 2 305.466 3.214 20 0 DGADLP Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587799 435178242 /nfs/dbraw/zinc/17/82/42/435178242.db2.gz ZEFDPYYCITUFEU-OALUTQOASA-N 2 2 316.489 3.327 20 0 DGADLP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000532587799 435178245 /nfs/dbraw/zinc/17/82/45/435178245.db2.gz ZEFDPYYCITUFEU-OALUTQOASA-N 2 2 316.489 3.327 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258328 435214223 /nfs/dbraw/zinc/21/42/23/435214223.db2.gz GJUQXOMQHKJKGC-KNBMTAEXSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccn(C)n1 ZINC000639258328 435214229 /nfs/dbraw/zinc/21/42/29/435214229.db2.gz GJUQXOMQHKJKGC-KNBMTAEXSA-N 2 2 324.472 3.439 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000157329844 524057260 /nfs/dbraw/zinc/05/72/60/524057260.db2.gz JGWCZUAFFZXTSJ-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)c1 ZINC000642341761 435223355 /nfs/dbraw/zinc/22/33/55/435223355.db2.gz VVSUQIGBIQYAFW-SJORKVTESA-N 2 2 317.477 3.176 20 0 DGADLP CO[C@@](C)(C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000639241086 435210257 /nfs/dbraw/zinc/21/02/57/435210257.db2.gz BIENKYXZAUGTLY-HNNXBMFYSA-N 2 2 322.415 3.150 20 0 DGADLP CO[C@@](C)(C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000639241086 435210262 /nfs/dbraw/zinc/21/02/62/435210262.db2.gz BIENKYXZAUGTLY-HNNXBMFYSA-N 2 2 322.415 3.150 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000639304157 435236543 /nfs/dbraw/zinc/23/65/43/435236543.db2.gz YQDSEYVYXLWPQV-RLLQIKCJSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000639304157 435236548 /nfs/dbraw/zinc/23/65/48/435236548.db2.gz YQDSEYVYXLWPQV-RLLQIKCJSA-N 2 2 313.489 3.119 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086553 435250867 /nfs/dbraw/zinc/25/08/67/435250867.db2.gz IMRUZLLLXDGMEM-KKOFPSKJSA-N 2 2 312.379 3.437 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000562086553 435250869 /nfs/dbraw/zinc/25/08/69/435250869.db2.gz IMRUZLLLXDGMEM-KKOFPSKJSA-N 2 2 312.379 3.437 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820819 435245669 /nfs/dbraw/zinc/24/56/69/435245669.db2.gz QKFRIONGVLCIJW-OALUTQOASA-N 2 2 316.489 3.306 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820819 435245676 /nfs/dbraw/zinc/24/56/76/435245676.db2.gz QKFRIONGVLCIJW-OALUTQOASA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820819 435245681 /nfs/dbraw/zinc/24/56/81/435245681.db2.gz QKFRIONGVLCIJW-OALUTQOASA-N 2 2 316.489 3.306 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000583820819 435245686 /nfs/dbraw/zinc/24/56/86/435245686.db2.gz QKFRIONGVLCIJW-OALUTQOASA-N 2 2 316.489 3.306 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000643078007 435265402 /nfs/dbraw/zinc/26/54/02/435265402.db2.gz IIZDMDLAJGLKMX-SFHVURJKSA-N 2 2 316.424 3.009 20 0 DGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1OC ZINC000639374151 435271749 /nfs/dbraw/zinc/27/17/49/435271749.db2.gz BUMZWCMFMWEKHU-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000534237282 435272610 /nfs/dbraw/zinc/27/26/10/435272610.db2.gz GHKBMQPKOPNLTI-KBXCAEBGSA-N 2 2 322.880 3.275 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000639378120 435274489 /nfs/dbraw/zinc/27/44/89/435274489.db2.gz BFFSVMYURIXCGV-UHFFFAOYSA-N 2 2 312.461 3.383 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(-c2cnn(C)c2)c1 ZINC000584160164 435279069 /nfs/dbraw/zinc/27/90/69/435279069.db2.gz HDPBJFJYFVOKKH-FQEVSTJZSA-N 2 2 320.440 3.185 20 0 DGADLP COc1ncc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315713 435279988 /nfs/dbraw/zinc/27/99/88/435279988.db2.gz FLBGFNQVQAOCNO-SWLSCSKDSA-N 2 2 320.824 3.023 20 0 DGADLP COc1ncc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315713 435279992 /nfs/dbraw/zinc/27/99/92/435279992.db2.gz FLBGFNQVQAOCNO-SWLSCSKDSA-N 2 2 320.824 3.023 20 0 DGADLP COc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315711 435280826 /nfs/dbraw/zinc/28/08/26/435280826.db2.gz FLBGFNQVQAOCNO-DOMZBBRYSA-N 2 2 320.824 3.023 20 0 DGADLP COc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000534315711 435280827 /nfs/dbraw/zinc/28/08/27/435280827.db2.gz FLBGFNQVQAOCNO-DOMZBBRYSA-N 2 2 320.824 3.023 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000124268749 298430826 /nfs/dbraw/zinc/43/08/26/298430826.db2.gz JCOHTHBIEHYPMJ-GFCCVEGCSA-N 2 2 317.260 3.194 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648410647 435291172 /nfs/dbraw/zinc/29/11/72/435291172.db2.gz WEUJYDDLSHISQH-OALUTQOASA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648410647 435291175 /nfs/dbraw/zinc/29/11/75/435291175.db2.gz WEUJYDDLSHISQH-OALUTQOASA-N 2 2 316.489 3.371 20 0 DGADLP C[NH2+][C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000567166547 435294729 /nfs/dbraw/zinc/29/47/29/435294729.db2.gz DBEFRVNYGLMAST-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP C[NH2+][C@@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000567166547 435294734 /nfs/dbraw/zinc/29/47/34/435294734.db2.gz DBEFRVNYGLMAST-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000648462540 435308098 /nfs/dbraw/zinc/30/80/98/435308098.db2.gz IWLIDDYCGSBTMO-KURKYZTESA-N 2 2 313.445 3.251 20 0 DGADLP COc1ccc2[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000643019174 435261061 /nfs/dbraw/zinc/26/10/61/435261061.db2.gz QMEKHCKDPRAARB-QGZVFWFLSA-N 2 2 311.429 3.212 20 0 DGADLP CCCOc1cccc2c(N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc[nH+]c12 ZINC000643031677 435262009 /nfs/dbraw/zinc/26/20/09/435262009.db2.gz VFXYAXXOIIRRRK-GOEBONIOSA-N 2 2 311.429 3.212 20 0 DGADLP COCC1(C[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCC1 ZINC000643375896 435319678 /nfs/dbraw/zinc/31/96/78/435319678.db2.gz XENYEHVQGRLWIJ-GOSISDBHSA-N 2 2 302.462 3.230 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506027 435324298 /nfs/dbraw/zinc/32/42/98/435324298.db2.gz BSTWWDWFTIAYNI-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506027 435324301 /nfs/dbraw/zinc/32/43/01/435324301.db2.gz BSTWWDWFTIAYNI-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506027 435324305 /nfs/dbraw/zinc/32/43/05/435324305.db2.gz BSTWWDWFTIAYNI-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)[C@@H]2C1 ZINC000648506027 435324308 /nfs/dbraw/zinc/32/43/08/435324308.db2.gz BSTWWDWFTIAYNI-IAQYHMDHSA-N 2 2 305.809 3.007 20 0 DGADLP COC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456295 435328540 /nfs/dbraw/zinc/32/85/40/435328540.db2.gz BGFGKRGMQRXUFC-KCPJHIHWSA-N 2 2 316.367 3.123 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457565 435329653 /nfs/dbraw/zinc/32/96/53/435329653.db2.gz MIRFCIURLKIXKB-ZCNNSNEGSA-N 3 2 315.505 3.019 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457565 435329657 /nfs/dbraw/zinc/32/96/57/435329657.db2.gz MIRFCIURLKIXKB-ZCNNSNEGSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643464310 435330212 /nfs/dbraw/zinc/33/02/12/435330212.db2.gz AVHMRMPCVDXMJU-QXAKKESOSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643464310 435330214 /nfs/dbraw/zinc/33/02/14/435330214.db2.gz AVHMRMPCVDXMJU-QXAKKESOSA-N 3 2 307.526 3.009 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c(C)[nH+]1 ZINC000639518640 435330448 /nfs/dbraw/zinc/33/04/48/435330448.db2.gz LPLIAFYXRNWTGQ-OAHLLOKOSA-N 2 2 316.367 3.142 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000643459722 435330464 /nfs/dbraw/zinc/33/04/64/435330464.db2.gz ALOOWQDKDRKYQU-MSOLQXFVSA-N 2 2 311.429 3.494 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000643478700 435334027 /nfs/dbraw/zinc/33/40/27/435334027.db2.gz XTSZPPBDPMWHFS-JKSUJKDBSA-N 2 2 308.381 3.139 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)c(Br)c1 ZINC000643500975 435337114 /nfs/dbraw/zinc/33/71/14/435337114.db2.gz LVUDXXGTRBNNAW-PWSUYJOCSA-N 2 2 315.230 3.381 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)CCC(C)(C)C ZINC000479533809 435337381 /nfs/dbraw/zinc/33/73/81/435337381.db2.gz UEFDHLSCNYXGJV-QRQLOZEOSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)CCC(C)(C)C ZINC000479533809 435337388 /nfs/dbraw/zinc/33/73/88/435337388.db2.gz UEFDHLSCNYXGJV-QRQLOZEOSA-N 2 2 318.505 3.284 20 0 DGADLP CC(=O)Nc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535576223 435337396 /nfs/dbraw/zinc/33/73/96/435337396.db2.gz WINZZUKFRQVONI-UHFFFAOYSA-N 2 2 324.428 3.117 20 0 DGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000643506132 435338625 /nfs/dbraw/zinc/33/86/25/435338625.db2.gz LLDQBGGNUIJTSS-LLVKDONJSA-N 2 2 302.340 3.030 20 0 DGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643502993 435340054 /nfs/dbraw/zinc/34/00/54/435340054.db2.gz XUCLDNNAJDCLCH-JLSDUUJJSA-N 2 2 306.425 3.025 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1Cl ZINC000643527966 435343945 /nfs/dbraw/zinc/34/39/45/435343945.db2.gz WJHSEBBUNUQBCO-QPUJVOFHSA-N 2 2 305.647 3.490 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000643529731 435345023 /nfs/dbraw/zinc/34/50/23/435345023.db2.gz QPIYEBSTIVKKDJ-WBMJQRKESA-N 2 2 319.246 3.475 20 0 DGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537961 435345748 /nfs/dbraw/zinc/34/57/48/435345748.db2.gz VLMTWXYIGGXWPE-ZQIUZPCESA-N 2 2 306.425 3.313 20 0 DGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)ccc2c1 ZINC000643535650 435346137 /nfs/dbraw/zinc/34/61/37/435346137.db2.gz HFMAHQWRTAZGKM-ZLIFDBKOSA-N 2 2 302.393 3.199 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc12 ZINC000643537470 435346265 /nfs/dbraw/zinc/34/62/65/435346265.db2.gz JCKPNOCEMBEPCU-IHRRRGAJSA-N 2 2 302.393 3.199 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000643537338 435347072 /nfs/dbraw/zinc/34/70/72/435347072.db2.gz FPIWMPGQUPFHSC-XYJFISCASA-N 2 2 318.436 3.069 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCO[C@H]1C ZINC000639569116 435349646 /nfs/dbraw/zinc/34/96/46/435349646.db2.gz ROEPRGIKHKFLAU-XIRDDKMYSA-N 2 2 313.445 3.234 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCO[C@H]1C ZINC000639569116 435349650 /nfs/dbraw/zinc/34/96/50/435349650.db2.gz ROEPRGIKHKFLAU-XIRDDKMYSA-N 2 2 313.445 3.234 20 0 DGADLP C[C@@H](CCO)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622969 435365748 /nfs/dbraw/zinc/36/57/48/435365748.db2.gz ZIJFZAIWJZOWKY-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CCO)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648622969 435365755 /nfs/dbraw/zinc/36/57/55/435365755.db2.gz ZIJFZAIWJZOWKY-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535035073 435312098 /nfs/dbraw/zinc/31/20/98/435312098.db2.gz XJWPUSLCKUGQMC-UHFFFAOYSA-N 2 2 305.466 3.253 20 0 DGADLP Cc1cccc(CCC[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000568176610 435400805 /nfs/dbraw/zinc/40/08/05/435400805.db2.gz AIGYUQFSDCRGIK-SFHVURJKSA-N 2 2 316.489 3.113 20 0 DGADLP Cc1cccc(CCC[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000568176610 435400809 /nfs/dbraw/zinc/40/08/09/435400809.db2.gz AIGYUQFSDCRGIK-SFHVURJKSA-N 2 2 316.489 3.113 20 0 DGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000648767558 435413287 /nfs/dbraw/zinc/41/32/87/435413287.db2.gz XMDGYNUQTOWJKZ-ZDUSSCGKSA-N 2 2 323.400 3.425 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)n1C ZINC000568269266 435415876 /nfs/dbraw/zinc/41/58/76/435415876.db2.gz FKZOQGXQBRVSTE-HNNXBMFYSA-N 2 2 305.809 3.385 20 0 DGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481310392 435418902 /nfs/dbraw/zinc/41/89/02/435418902.db2.gz JSFTYHWVNSTDRY-YRWFTTLQSA-N 2 2 316.489 3.433 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000536066329 435369022 /nfs/dbraw/zinc/36/90/22/435369022.db2.gz CQNRLYUBVQLBMO-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000536066329 435369027 /nfs/dbraw/zinc/36/90/27/435369027.db2.gz CQNRLYUBVQLBMO-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(C)[nH+]1 ZINC000639624836 435369529 /nfs/dbraw/zinc/36/95/29/435369529.db2.gz WUWOTPZWQQKUNH-TXPKVOOTSA-N 2 2 318.461 3.165 20 0 DGADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c(C)[nH+]1 ZINC000639624836 435369534 /nfs/dbraw/zinc/36/95/34/435369534.db2.gz WUWOTPZWQQKUNH-TXPKVOOTSA-N 2 2 318.461 3.165 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000480254227 435370762 /nfs/dbraw/zinc/37/07/62/435370762.db2.gz MWCJMBOWMZRRIN-ZNMIVQPWSA-N 2 2 310.869 3.490 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000480254227 435370766 /nfs/dbraw/zinc/37/07/66/435370766.db2.gz MWCJMBOWMZRRIN-ZNMIVQPWSA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000480254225 435371661 /nfs/dbraw/zinc/37/16/61/435371661.db2.gz MWCJMBOWMZRRIN-QLFBSQMISA-N 2 2 310.869 3.490 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000480254225 435371663 /nfs/dbraw/zinc/37/16/63/435371663.db2.gz MWCJMBOWMZRRIN-QLFBSQMISA-N 2 2 310.869 3.490 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)C3(C)CC3)CC2)c1 ZINC000480254727 435371878 /nfs/dbraw/zinc/37/18/78/435371878.db2.gz XXEMMHBIZHMIDP-GOSISDBHSA-N 2 2 315.505 3.285 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000513379055 435385845 /nfs/dbraw/zinc/38/58/45/435385845.db2.gz WJAVXLQKYBQXOY-PNHOKKKMSA-N 2 2 314.473 3.089 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000513379055 435385849 /nfs/dbraw/zinc/38/58/49/435385849.db2.gz WJAVXLQKYBQXOY-PNHOKKKMSA-N 2 2 314.473 3.089 20 0 DGADLP Cc1cc(C)c(C[N@@H+](Cc2cnn(C)c2)CC(C)C)c(C)[nH+]1 ZINC000639668027 435387458 /nfs/dbraw/zinc/38/74/58/435387458.db2.gz GXZZYVKYZXTJOM-UHFFFAOYSA-N 2 2 300.450 3.399 20 0 DGADLP Cc1cc(C)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c(C)[nH+]1 ZINC000639668027 435387463 /nfs/dbraw/zinc/38/74/63/435387463.db2.gz GXZZYVKYZXTJOM-UHFFFAOYSA-N 2 2 300.450 3.399 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000513678066 435396286 /nfs/dbraw/zinc/39/62/86/435396286.db2.gz HSNZDTWLTTWUCT-JCGVRSQUSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000513678066 435396291 /nfs/dbraw/zinc/39/62/91/435396291.db2.gz HSNZDTWLTTWUCT-JCGVRSQUSA-N 2 2 308.416 3.358 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[NH+]1CCCC1 ZINC000481911144 435447244 /nfs/dbraw/zinc/44/72/44/435447244.db2.gz DIEXSUMESOZYCJ-ZDUSSCGKSA-N 2 2 300.368 3.322 20 0 DGADLP Cc1noc(C2CCC([NH2+]CC[NH+]3[C@H](C)CCC[C@H]3C)CC2)n1 ZINC000644536954 435448599 /nfs/dbraw/zinc/44/85/99/435448599.db2.gz CKYHUZYPNIAVAB-QBBMROGASA-N 2 2 320.481 3.257 20 0 DGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000644529910 435449395 /nfs/dbraw/zinc/44/93/95/435449395.db2.gz JKKXTSNHPKVNSI-OXJNMPFZSA-N 2 2 321.424 3.127 20 0 DGADLP CCOCC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135629 435453348 /nfs/dbraw/zinc/45/33/48/435453348.db2.gz NZVHPRIWNFHDKW-GOSISDBHSA-N 2 2 304.478 3.086 20 0 DGADLP CCOCC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482135629 435453353 /nfs/dbraw/zinc/45/33/53/435453353.db2.gz NZVHPRIWNFHDKW-GOSISDBHSA-N 2 2 304.478 3.086 20 0 DGADLP CCn1cc[nH+]c1CN(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000515020644 435456791 /nfs/dbraw/zinc/45/67/91/435456791.db2.gz UEODXEFNPLVEQH-UHFFFAOYSA-N 2 2 320.868 3.120 20 0 DGADLP Cc1cc(Br)c2c(c1)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000639910822 435457477 /nfs/dbraw/zinc/45/74/77/435457477.db2.gz IRIIHIRCNWNQBM-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1cc(Br)c2c(c1)CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000639910822 435457481 /nfs/dbraw/zinc/45/74/81/435457481.db2.gz IRIIHIRCNWNQBM-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482236157 435458731 /nfs/dbraw/zinc/45/87/31/435458731.db2.gz SQROGDXGYRHSAI-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482262221 435460611 /nfs/dbraw/zinc/46/06/11/435460611.db2.gz YRUIFINDVLFJAR-MRXNPFEDSA-N 2 2 318.486 3.447 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000482262221 435460614 /nfs/dbraw/zinc/46/06/14/435460614.db2.gz YRUIFINDVLFJAR-MRXNPFEDSA-N 2 2 318.486 3.447 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000515061390 435460834 /nfs/dbraw/zinc/46/08/34/435460834.db2.gz UPQFEBHYRYKWKS-MRXNPFEDSA-N 2 2 301.434 3.049 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000515061390 435460838 /nfs/dbraw/zinc/46/08/38/435460838.db2.gz UPQFEBHYRYKWKS-MRXNPFEDSA-N 2 2 301.434 3.049 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)[NH+](C)C)cc1F ZINC000482521369 435469718 /nfs/dbraw/zinc/46/97/18/435469718.db2.gz XZTVQJKVFKTIEE-KMFMINBZSA-N 2 2 308.441 3.400 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000514725647 435431878 /nfs/dbraw/zinc/43/18/78/435431878.db2.gz BIDSJONPBBPOPT-QGZVFWFLSA-N 2 2 305.491 3.376 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000514725647 435431886 /nfs/dbraw/zinc/43/18/86/435431886.db2.gz BIDSJONPBBPOPT-QGZVFWFLSA-N 2 2 305.491 3.376 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)c2)c[nH+]1 ZINC000568392593 435432126 /nfs/dbraw/zinc/43/21/26/435432126.db2.gz MMCUPLJWRQRRRP-RHSMWYFYSA-N 2 2 317.458 3.325 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)c2)c[nH+]1 ZINC000568392593 435432131 /nfs/dbraw/zinc/43/21/31/435432131.db2.gz MMCUPLJWRQRRRP-RHSMWYFYSA-N 2 2 317.458 3.325 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000640128119 435521614 /nfs/dbraw/zinc/52/16/14/435521614.db2.gz JJUHKTKUMHHOKX-UHFFFAOYSA-N 2 2 318.465 3.428 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000640129432 435522897 /nfs/dbraw/zinc/52/28/97/435522897.db2.gz ZPKXUUIDQQHMDB-ZBFHGGJFSA-N 2 2 318.465 3.283 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644885244 435533944 /nfs/dbraw/zinc/53/39/44/435533944.db2.gz KXLLNIKBMFUYFW-TUOAVLBBSA-N 2 2 314.473 3.310 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644885244 435533948 /nfs/dbraw/zinc/53/39/48/435533948.db2.gz KXLLNIKBMFUYFW-TUOAVLBBSA-N 2 2 314.473 3.310 20 0 DGADLP CC1CCC(O)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000516533076 435535562 /nfs/dbraw/zinc/53/55/62/435535562.db2.gz FPNHYNGGPJMZAY-UHFFFAOYSA-N 2 2 317.408 3.042 20 0 DGADLP CC(C)C[C@@H](C[NH2+]CC1(O)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000644678100 435486123 /nfs/dbraw/zinc/48/61/23/435486123.db2.gz ZYVGKKJOTDHLHL-AEFFLSMTSA-N 2 2 304.478 3.257 20 0 DGADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000515667930 435499182 /nfs/dbraw/zinc/49/91/82/435499182.db2.gz YGRMTOOAVPBTBF-HNNXBMFYSA-N 2 2 318.852 3.137 20 0 DGADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000515667930 435499188 /nfs/dbraw/zinc/49/91/88/435499188.db2.gz YGRMTOOAVPBTBF-HNNXBMFYSA-N 2 2 318.852 3.137 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766593 435551134 /nfs/dbraw/zinc/55/11/34/435551134.db2.gz ZAWFEWHDSIFSLN-IEBWSBKVSA-N 2 2 311.429 3.263 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cc2)c[nH+]1 ZINC000516766593 435551136 /nfs/dbraw/zinc/55/11/36/435551136.db2.gz ZAWFEWHDSIFSLN-IEBWSBKVSA-N 2 2 311.429 3.263 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000569846228 435567722 /nfs/dbraw/zinc/56/77/22/435567722.db2.gz GALKEDPLCTZBMF-FUHWJXTLSA-N 2 2 304.478 3.474 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000569846228 435567726 /nfs/dbraw/zinc/56/77/26/435567726.db2.gz GALKEDPLCTZBMF-FUHWJXTLSA-N 2 2 304.478 3.474 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000485724657 435577507 /nfs/dbraw/zinc/57/75/07/435577507.db2.gz ADMUHFFETHDIPE-NWANDNLSSA-N 2 2 300.368 3.262 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000485724657 435577511 /nfs/dbraw/zinc/57/75/11/435577511.db2.gz ADMUHFFETHDIPE-NWANDNLSSA-N 2 2 300.368 3.262 20 0 DGADLP COc1cc(F)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC000517157927 435578477 /nfs/dbraw/zinc/57/84/77/435578477.db2.gz ZRWRBVBBKOICET-AWEZNQCLSA-N 2 2 324.440 3.197 20 0 DGADLP c1csc(-c2cnc(C[N@H+](C3CC3)C3CC[NH2+]CC3)o2)c1 ZINC000649408897 435580695 /nfs/dbraw/zinc/58/06/95/435580695.db2.gz DZBFLTPLUYWPNP-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2cnc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)o2)c1 ZINC000649408897 435580700 /nfs/dbraw/zinc/58/07/00/435580700.db2.gz DZBFLTPLUYWPNP-UHFFFAOYSA-N 2 2 303.431 3.120 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+](C3CC3)C3CC[NH2+]CC3)o2)cc1 ZINC000649408908 435580960 /nfs/dbraw/zinc/58/09/60/435580960.db2.gz GQOGAZIPRGFVBZ-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)o2)cc1 ZINC000649408908 435580964 /nfs/dbraw/zinc/58/09/64/435580964.db2.gz GQOGAZIPRGFVBZ-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000649417159 435583300 /nfs/dbraw/zinc/58/33/00/435583300.db2.gz ZGCXIKHNYQJFGP-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC[C@@H]1[NH3+] ZINC000649417159 435583304 /nfs/dbraw/zinc/58/33/04/435583304.db2.gz ZGCXIKHNYQJFGP-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414929 435583346 /nfs/dbraw/zinc/58/33/46/435583346.db2.gz AECOAFMRXACKRK-XJKSGUPXSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cs2)co1 ZINC000649414929 435583349 /nfs/dbraw/zinc/58/33/49/435583349.db2.gz AECOAFMRXACKRK-XJKSGUPXSA-N 2 2 317.458 3.367 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@H]1[NH3+] ZINC000649416846 435583631 /nfs/dbraw/zinc/58/36/31/435583631.db2.gz NPPIQMZMEYQEDD-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@H]1[NH3+] ZINC000649416846 435583636 /nfs/dbraw/zinc/58/36/36/435583636.db2.gz NPPIQMZMEYQEDD-SWLSCSKDSA-N 2 2 303.381 3.040 20 0 DGADLP C[N@H+](CCc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1)C1CC1 ZINC000539251514 435543879 /nfs/dbraw/zinc/54/38/79/435543879.db2.gz UINLLCSNRAVXIS-UHFFFAOYSA-N 2 2 307.401 3.338 20 0 DGADLP C[N@@H+](CCc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1)C1CC1 ZINC000539251514 435543888 /nfs/dbraw/zinc/54/38/88/435543888.db2.gz UINLLCSNRAVXIS-UHFFFAOYSA-N 2 2 307.401 3.338 20 0 DGADLP Cc1ccc(C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)cc1 ZINC000484479370 435545241 /nfs/dbraw/zinc/54/52/41/435545241.db2.gz WQFJHNNEZADJRS-OALUTQOASA-N 2 2 318.530 3.343 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516659671 435545248 /nfs/dbraw/zinc/54/52/48/435545248.db2.gz AGWRURQYWKSJEE-INIZCTEOSA-N 2 2 312.461 3.490 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561805 435625286 /nfs/dbraw/zinc/62/52/86/435625286.db2.gz JZZNNOXDXFPHNW-YJBOKZPZSA-N 2 2 305.466 3.031 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561805 435625289 /nfs/dbraw/zinc/62/52/89/435625289.db2.gz JZZNNOXDXFPHNW-YJBOKZPZSA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561805 435625293 /nfs/dbraw/zinc/62/52/93/435625293.db2.gz JZZNNOXDXFPHNW-YJBOKZPZSA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC(C)C)ccn2)[C@@H](C)C1 ZINC000649561805 435625297 /nfs/dbraw/zinc/62/52/97/435625297.db2.gz JZZNNOXDXFPHNW-YJBOKZPZSA-N 2 2 305.466 3.031 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C(C)(C)OC)c1cccc(OC)c1 ZINC000645383882 435632341 /nfs/dbraw/zinc/63/23/41/435632341.db2.gz IAUPPYWJOGNDCF-MAUKXSAKSA-N 2 2 322.493 3.481 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570162929 435593878 /nfs/dbraw/zinc/59/38/78/435593878.db2.gz VJVYIHNBWXWJIV-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570162929 435593883 /nfs/dbraw/zinc/59/38/83/435593883.db2.gz VJVYIHNBWXWJIV-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000570162993 435594514 /nfs/dbraw/zinc/59/45/14/435594514.db2.gz XUJVGEMJWMCGHJ-GOEBONIOSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000570162993 435594517 /nfs/dbraw/zinc/59/45/17/435594517.db2.gz XUJVGEMJWMCGHJ-GOEBONIOSA-N 2 2 305.491 3.375 20 0 DGADLP CC(C)CCc1noc(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640531250 435597416 /nfs/dbraw/zinc/59/74/16/435597416.db2.gz NNNSORNZOBRPRF-UHFFFAOYSA-N 2 2 322.497 3.356 20 0 DGADLP CC(C)CCc1noc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640531250 435597423 /nfs/dbraw/zinc/59/74/23/435597423.db2.gz NNNSORNZOBRPRF-UHFFFAOYSA-N 2 2 322.497 3.356 20 0 DGADLP C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530661 435598142 /nfs/dbraw/zinc/59/81/42/435598142.db2.gz GBBROMYTFLRZAC-CQSZACIVSA-N 2 2 306.454 3.206 20 0 DGADLP C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530661 435598147 /nfs/dbraw/zinc/59/81/47/435598147.db2.gz GBBROMYTFLRZAC-CQSZACIVSA-N 2 2 306.454 3.206 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189487 435599013 /nfs/dbraw/zinc/59/90/13/435599013.db2.gz SSLSQGTVBBJRIU-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189487 435599018 /nfs/dbraw/zinc/59/90/18/435599018.db2.gz SSLSQGTVBBJRIU-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000570189487 435599022 /nfs/dbraw/zinc/59/90/22/435599022.db2.gz SSLSQGTVBBJRIU-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000570189487 435599027 /nfs/dbraw/zinc/59/90/27/435599027.db2.gz SSLSQGTVBBJRIU-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189488 435599466 /nfs/dbraw/zinc/59/94/66/435599466.db2.gz SSLSQGTVBBJRIU-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000570189488 435599469 /nfs/dbraw/zinc/59/94/69/435599469.db2.gz SSLSQGTVBBJRIU-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000570189488 435599472 /nfs/dbraw/zinc/59/94/72/435599472.db2.gz SSLSQGTVBBJRIU-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000570189488 435599475 /nfs/dbraw/zinc/59/94/75/435599475.db2.gz SSLSQGTVBBJRIU-SXLOBPIMSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488725636 435643628 /nfs/dbraw/zinc/64/36/28/435643628.db2.gz UWKUNXKVZIGJJP-IOASZLSFSA-N 2 2 301.459 3.463 20 0 DGADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]c3ccsc32)C[C@@H](C)C1 ZINC000488725636 435643632 /nfs/dbraw/zinc/64/36/32/435643632.db2.gz UWKUNXKVZIGJJP-IOASZLSFSA-N 2 2 301.459 3.463 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000645434372 435645296 /nfs/dbraw/zinc/64/52/96/435645296.db2.gz UGZWYWVAXZZVMB-RDTXWAMCSA-N 2 2 301.434 3.146 20 0 DGADLP CC[N@H+](CC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1)C1CC1 ZINC000490191932 435653033 /nfs/dbraw/zinc/65/30/33/435653033.db2.gz YRGZBLSYZGUQHA-HNNXBMFYSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1)C1CC1 ZINC000490191932 435653035 /nfs/dbraw/zinc/65/30/35/435653035.db2.gz YRGZBLSYZGUQHA-HNNXBMFYSA-N 2 2 311.473 3.408 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC000649657749 435658376 /nfs/dbraw/zinc/65/83/76/435658376.db2.gz LJYBUBXKYIBLFD-IBGZPJMESA-N 2 2 314.473 3.296 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC34CCCC4)C2)cc1 ZINC000649657749 435658379 /nfs/dbraw/zinc/65/83/79/435658379.db2.gz LJYBUBXKYIBLFD-IBGZPJMESA-N 2 2 314.473 3.296 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC34CCCC4)C2)cc1 ZINC000649657749 435658384 /nfs/dbraw/zinc/65/83/84/435658384.db2.gz LJYBUBXKYIBLFD-IBGZPJMESA-N 2 2 314.473 3.296 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC34CCCC4)C2)cc1 ZINC000649657749 435658388 /nfs/dbraw/zinc/65/83/88/435658388.db2.gz LJYBUBXKYIBLFD-IBGZPJMESA-N 2 2 314.473 3.296 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000570985237 435667786 /nfs/dbraw/zinc/66/77/86/435667786.db2.gz GOMHKZWADKBQPL-DNVCBOLYSA-N 2 2 310.445 3.273 20 0 DGADLP FC1(F)C(F)(F)C12CC[NH+](Cc1c[nH+]c3ccccn13)CC2 ZINC000649709802 435677397 /nfs/dbraw/zinc/67/73/97/435677397.db2.gz AGDDLAYSQUPNKS-UHFFFAOYSA-N 2 2 313.298 3.201 20 0 DGADLP Cc1cccc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441927 435691966 /nfs/dbraw/zinc/69/19/66/435691966.db2.gz WXYPLHHOZVMMSK-AEFFLSMTSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cccc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441927 435691969 /nfs/dbraw/zinc/69/19/69/435691969.db2.gz WXYPLHHOZVMMSK-AEFFLSMTSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000491018966 435697899 /nfs/dbraw/zinc/69/78/99/435697899.db2.gz IZXIGMBBIHAEFF-LSDHHAIUSA-N 2 2 309.457 3.160 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000491018966 435697904 /nfs/dbraw/zinc/69/79/04/435697904.db2.gz IZXIGMBBIHAEFF-LSDHHAIUSA-N 2 2 309.457 3.160 20 0 DGADLP OCc1cc[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000641367796 435730701 /nfs/dbraw/zinc/73/07/01/435730701.db2.gz OHUSJDYHXICWIE-YQQQUEKLSA-N 2 2 323.440 3.181 20 0 DGADLP OCc1cc[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000641367796 435730708 /nfs/dbraw/zinc/73/07/08/435730708.db2.gz OHUSJDYHXICWIE-YQQQUEKLSA-N 2 2 323.440 3.181 20 0 DGADLP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655700866 435731670 /nfs/dbraw/zinc/73/16/70/435731670.db2.gz NGXABJIRFSUQFD-WMLDXEAASA-N 2 2 320.502 3.312 20 0 DGADLP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2F)[C@H]1c1cccs1 ZINC000641394635 435734651 /nfs/dbraw/zinc/73/46/51/435734651.db2.gz NBWDUAOHLPJNCI-LRDDRELGSA-N 2 2 305.422 3.199 20 0 DGADLP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2F)[C@H]1c1cccs1 ZINC000641394635 435734658 /nfs/dbraw/zinc/73/46/58/435734658.db2.gz NBWDUAOHLPJNCI-LRDDRELGSA-N 2 2 305.422 3.199 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649917489 435755346 /nfs/dbraw/zinc/75/53/46/435755346.db2.gz PTHMCAINKBOZQA-FHWLQOOXSA-N 2 2 311.429 3.268 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649917489 435755353 /nfs/dbraw/zinc/75/53/53/435755353.db2.gz PTHMCAINKBOZQA-FHWLQOOXSA-N 2 2 311.429 3.268 20 0 DGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938178 435759345 /nfs/dbraw/zinc/75/93/45/435759345.db2.gz BKELGDOBVSPOTI-VUQTYRPGSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938178 435759354 /nfs/dbraw/zinc/75/93/54/435759354.db2.gz BKELGDOBVSPOTI-VUQTYRPGSA-N 2 2 318.436 3.026 20 0 DGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000519772423 435708246 /nfs/dbraw/zinc/70/82/46/435708246.db2.gz UHRGIDXRASAOFB-DNVCBOLYSA-N 2 2 323.440 3.250 20 0 DGADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCC[C@@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897814 435713222 /nfs/dbraw/zinc/71/32/22/435713222.db2.gz VPKJUETXHACYID-IAGOWNOFSA-N 2 2 317.477 3.216 20 0 DGADLP c1[nH+]c([C@@H]2CCC[N@H+](CCC[C@@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897814 435713226 /nfs/dbraw/zinc/71/32/26/435713226.db2.gz VPKJUETXHACYID-IAGOWNOFSA-N 2 2 317.477 3.216 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000550143634 435793359 /nfs/dbraw/zinc/79/33/59/435793359.db2.gz ARDYDVKCIXVCMF-RCCFBDPRSA-N 2 2 324.509 3.353 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000550143634 435793365 /nfs/dbraw/zinc/79/33/65/435793365.db2.gz ARDYDVKCIXVCMF-RCCFBDPRSA-N 2 2 324.509 3.353 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1F ZINC000572248987 435801075 /nfs/dbraw/zinc/80/10/75/435801075.db2.gz ZZVJTCXFRREHQH-UHFFFAOYSA-N 2 2 324.440 3.151 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1F ZINC000572248987 435801083 /nfs/dbraw/zinc/80/10/83/435801083.db2.gz ZZVJTCXFRREHQH-UHFFFAOYSA-N 2 2 324.440 3.151 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000550631225 435806160 /nfs/dbraw/zinc/80/61/60/435806160.db2.gz LHGFBPLIFNXGRJ-JKSUJKDBSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000550631225 435806164 /nfs/dbraw/zinc/80/61/64/435806164.db2.gz LHGFBPLIFNXGRJ-JKSUJKDBSA-N 2 2 303.450 3.091 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550907440 435813073 /nfs/dbraw/zinc/81/30/73/435813073.db2.gz MCPQIZQLUYRVJL-DBVUQKKJSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550907440 435813079 /nfs/dbraw/zinc/81/30/79/435813079.db2.gz MCPQIZQLUYRVJL-DBVUQKKJSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473672 435764439 /nfs/dbraw/zinc/76/44/39/435764439.db2.gz SJQHVQCUDCXGAI-GOEBONIOSA-N 2 2 324.415 3.213 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655743458 435767016 /nfs/dbraw/zinc/76/70/16/435767016.db2.gz ITICJQWDDGKIQZ-CRAIPNDOSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655743458 435767020 /nfs/dbraw/zinc/76/70/20/435767020.db2.gz ITICJQWDDGKIQZ-CRAIPNDOSA-N 2 2 312.461 3.061 20 0 DGADLP Fc1ccc(C2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655742623 435767222 /nfs/dbraw/zinc/76/72/22/435767222.db2.gz AQXYTIXYRZVPPU-GOSISDBHSA-N 2 2 318.436 3.048 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000520812834 435771452 /nfs/dbraw/zinc/77/14/52/435771452.db2.gz GHVXRILFVGPVMQ-GOEBONIOSA-N 2 2 320.864 3.170 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000520812834 435771464 /nfs/dbraw/zinc/77/14/64/435771464.db2.gz GHVXRILFVGPVMQ-GOEBONIOSA-N 2 2 320.864 3.170 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCC2(C)C)C1 ZINC000549859985 435781830 /nfs/dbraw/zinc/78/18/30/435781830.db2.gz SEUUPQMXGBXYMS-KPFFTGBYSA-N 2 2 316.489 3.353 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCC2(C)C)C1 ZINC000549859985 435781837 /nfs/dbraw/zinc/78/18/37/435781837.db2.gz SEUUPQMXGBXYMS-KPFFTGBYSA-N 2 2 316.489 3.353 20 0 DGADLP COc1cc(OC)c(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1F ZINC000651669419 435782942 /nfs/dbraw/zinc/78/29/42/435782942.db2.gz UKFKMPUASSVLAG-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cs2)cc1 ZINC000641802471 435829320 /nfs/dbraw/zinc/82/93/20/435829320.db2.gz LKZXHGPDFPYYPW-LSDHHAIUSA-N 2 2 317.458 3.034 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)OCO2 ZINC000655848360 435839449 /nfs/dbraw/zinc/83/94/49/435839449.db2.gz ICBATVPXJICFFE-CWRNSKLLSA-N 2 2 302.418 3.083 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCO2 ZINC000655848360 435839458 /nfs/dbraw/zinc/83/94/58/435839458.db2.gz ICBATVPXJICFFE-CWRNSKLLSA-N 2 2 302.418 3.083 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848253 435839475 /nfs/dbraw/zinc/83/94/75/435839475.db2.gz CGFUJXLHUBCPTO-BBWFWOEESA-N 2 2 318.436 3.428 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848253 435839481 /nfs/dbraw/zinc/83/94/81/435839481.db2.gz CGFUJXLHUBCPTO-BBWFWOEESA-N 2 2 318.436 3.428 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848988 435840448 /nfs/dbraw/zinc/84/04/48/435840448.db2.gz NPDHNSJJKRVWOY-DJKXOVBDSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848988 435840451 /nfs/dbraw/zinc/84/04/51/435840451.db2.gz NPDHNSJJKRVWOY-DJKXOVBDSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC2)[nH+]c1 ZINC000655852781 435842772 /nfs/dbraw/zinc/84/27/72/435842772.db2.gz PUUGUMKJABBPGS-KRWDZBQOSA-N 2 2 315.461 3.132 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(Br)c1)C2 ZINC000660654434 435844930 /nfs/dbraw/zinc/84/49/30/435844930.db2.gz ZXUAANMHDTWZTK-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(Br)c1)C2 ZINC000660654434 435844934 /nfs/dbraw/zinc/84/49/34/435844934.db2.gz ZXUAANMHDTWZTK-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(Br)c1)C2 ZINC000660654434 435844938 /nfs/dbraw/zinc/84/49/38/435844938.db2.gz ZXUAANMHDTWZTK-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(Br)c1)C2 ZINC000660654434 435844941 /nfs/dbraw/zinc/84/49/41/435844941.db2.gz ZXUAANMHDTWZTK-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000655856728 435846660 /nfs/dbraw/zinc/84/66/60/435846660.db2.gz OXBMBQZKIIIOPV-MSOLQXFVSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000655856728 435846665 /nfs/dbraw/zinc/84/66/65/435846665.db2.gz OXBMBQZKIIIOPV-MSOLQXFVSA-N 2 2 316.493 3.033 20 0 DGADLP C[C@H]1CCCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703791 435848699 /nfs/dbraw/zinc/84/86/99/435848699.db2.gz IOTTVULTKBHZSG-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703791 435848705 /nfs/dbraw/zinc/84/87/05/435848705.db2.gz IOTTVULTKBHZSG-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703791 435848712 /nfs/dbraw/zinc/84/87/12/435848712.db2.gz IOTTVULTKBHZSG-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703791 435848716 /nfs/dbraw/zinc/84/87/16/435848716.db2.gz IOTTVULTKBHZSG-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP c1[nH]nc2cc(C[NH+]3CCC([NH2+]Cc4ccccc4)CC3)ccc12 ZINC000660680750 435856415 /nfs/dbraw/zinc/85/64/15/435856415.db2.gz WYRBPIQIIWAUKJ-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000572703569 435858386 /nfs/dbraw/zinc/85/83/86/435858386.db2.gz QVDQXLQTXUJLEJ-MRXNPFEDSA-N 2 2 308.510 3.388 20 0 DGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000572703569 435858394 /nfs/dbraw/zinc/85/83/94/435858394.db2.gz QVDQXLQTXUJLEJ-MRXNPFEDSA-N 2 2 308.510 3.388 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000651909103 435861324 /nfs/dbraw/zinc/86/13/24/435861324.db2.gz XCNNBUOWVGEZEI-AYBZRNKSSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@H](OCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000651909103 435861328 /nfs/dbraw/zinc/86/13/28/435861328.db2.gz XCNNBUOWVGEZEI-AYBZRNKSSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909726 435862999 /nfs/dbraw/zinc/86/29/99/435862999.db2.gz UZBMGPSSLUSMIE-HNAYVOBHSA-N 2 2 323.440 3.446 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909726 435863005 /nfs/dbraw/zinc/86/30/05/435863005.db2.gz UZBMGPSSLUSMIE-HNAYVOBHSA-N 2 2 323.440 3.446 20 0 DGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000656193886 435908864 /nfs/dbraw/zinc/90/88/64/435908864.db2.gz WZTPJWNYVKICER-UHFFFAOYSA-N 2 2 312.461 3.197 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000656193297 435910021 /nfs/dbraw/zinc/91/00/21/435910021.db2.gz FGKAZTADTGBIHO-BPNCWPANSA-N 2 2 320.824 3.311 20 0 DGADLP C[C@H]1CC[C@H](C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)O1 ZINC000660857855 435911106 /nfs/dbraw/zinc/91/11/06/435911106.db2.gz XDKWOKKKIBAENL-GOEBONIOSA-N 2 2 313.445 3.385 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000652133120 435912861 /nfs/dbraw/zinc/91/28/61/435912861.db2.gz HOQJLEJORZOQMB-LJQANCHMSA-N 2 2 322.412 3.056 20 0 DGADLP Cc1c[nH+]c(CCNc2cc[nH+]c(N3CCCCC3)n2)c(C)c1 ZINC000656210631 435914425 /nfs/dbraw/zinc/91/44/25/435914425.db2.gz BHVHGXHERNJBCJ-UHFFFAOYSA-N 2 2 311.433 3.133 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000652157815 435916395 /nfs/dbraw/zinc/91/63/95/435916395.db2.gz LUBYVVSNMIEECI-MRXNPFEDSA-N 2 2 303.450 3.226 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203090 435922264 /nfs/dbraw/zinc/92/22/64/435922264.db2.gz AFVVECVJJFEZDX-RTBURBONSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(F)cc1 ZINC000652203090 435922266 /nfs/dbraw/zinc/92/22/66/435922266.db2.gz AFVVECVJJFEZDX-RTBURBONSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(F)cc1 ZINC000652203632 435923225 /nfs/dbraw/zinc/92/32/25/435923225.db2.gz TYGMHWUNBSIIRY-RBUKOAKNSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(F)cc1 ZINC000652203632 435923230 /nfs/dbraw/zinc/92/32/30/435923230.db2.gz TYGMHWUNBSIIRY-RBUKOAKNSA-N 2 2 322.468 3.349 20 0 DGADLP c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]cc1C1CCC1 ZINC000656262330 435928387 /nfs/dbraw/zinc/92/83/87/435928387.db2.gz KRCGPGRWLBNFKT-QGZVFWFLSA-N 2 2 301.434 3.014 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(-c2ccccc2F)nc1C ZINC000656262580 435928917 /nfs/dbraw/zinc/92/89/17/435928917.db2.gz WIRIVDGXRWLGMB-UHFFFAOYSA-N 2 2 318.440 3.093 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(-c2ccccc2F)nc1C ZINC000656262580 435928922 /nfs/dbraw/zinc/92/89/22/435928922.db2.gz WIRIVDGXRWLGMB-UHFFFAOYSA-N 2 2 318.440 3.093 20 0 DGADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254378 435930813 /nfs/dbraw/zinc/93/08/13/435930813.db2.gz OXXLTTPKZRKFEX-MORSLUCNSA-N 2 2 302.393 3.085 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccoc1 ZINC000665253048 435931253 /nfs/dbraw/zinc/93/12/53/435931253.db2.gz DOYIQZVSFDXMAN-JDSLSITLSA-N 2 2 306.356 3.354 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275827 435935481 /nfs/dbraw/zinc/93/54/81/435935481.db2.gz SOLMPVVNLXWGPL-NSHDSACASA-N 2 2 323.362 3.430 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652356185 435958384 /nfs/dbraw/zinc/95/83/84/435958384.db2.gz VQFPQCJFSRZDTH-ZFWWWQNUSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652356185 435958390 /nfs/dbraw/zinc/95/83/90/435958390.db2.gz VQFPQCJFSRZDTH-ZFWWWQNUSA-N 2 2 318.440 3.145 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CO1 ZINC000647174221 435961340 /nfs/dbraw/zinc/96/13/40/435961340.db2.gz SYVYJTBXUFZHOP-BHIYHBOVSA-N 2 2 302.462 3.227 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000647227242 435980284 /nfs/dbraw/zinc/98/02/84/435980284.db2.gz PZNPRXSFTFZLPP-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000647227242 435980289 /nfs/dbraw/zinc/98/02/89/435980289.db2.gz PZNPRXSFTFZLPP-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000647227581 435981700 /nfs/dbraw/zinc/98/17/00/435981700.db2.gz DVULTXBRXYIEOQ-YCPHGPKFSA-N 2 2 318.486 3.145 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C[N@H+]1C1CC1 ZINC000647227581 435981705 /nfs/dbraw/zinc/98/17/05/435981705.db2.gz DVULTXBRXYIEOQ-YCPHGPKFSA-N 2 2 318.486 3.145 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229471 435982966 /nfs/dbraw/zinc/98/29/66/435982966.db2.gz OOZTZUGEQXBQHW-OXJNMPFZSA-N 2 2 310.441 3.104 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000647229471 435982969 /nfs/dbraw/zinc/98/29/69/435982969.db2.gz OOZTZUGEQXBQHW-OXJNMPFZSA-N 2 2 310.441 3.104 20 0 DGADLP CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000647243756 435988164 /nfs/dbraw/zinc/98/81/64/435988164.db2.gz OLRXYRSMRGHDQD-GDBMZVCRSA-N 2 2 301.434 3.067 20 0 DGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277473 435937159 /nfs/dbraw/zinc/93/71/59/435937159.db2.gz CBKYWZUXVKHSOI-KGYZHSKHSA-N 2 2 300.446 3.365 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000665281765 435937546 /nfs/dbraw/zinc/93/75/46/435937546.db2.gz KJQCFJGOFUSCSB-WBVHZDCISA-N 2 2 320.868 3.126 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280954 435937704 /nfs/dbraw/zinc/93/77/04/435937704.db2.gz GBUPWWYVDHXFMQ-QXAKKESOSA-N 2 2 306.494 3.166 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000656280954 435937708 /nfs/dbraw/zinc/93/77/08/435937708.db2.gz GBUPWWYVDHXFMQ-QXAKKESOSA-N 2 2 306.494 3.166 20 0 DGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC(F)(F)F)cc1 ZINC000665279806 435939054 /nfs/dbraw/zinc/93/90/54/435939054.db2.gz MTVXSBLZWUSMIE-WPBUFGDCSA-N 2 2 314.351 3.378 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000665298522 435943456 /nfs/dbraw/zinc/94/34/56/435943456.db2.gz XICKUAUNOHOJOV-QMTHXVAHSA-N 2 2 302.340 3.234 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)c2ccccc21 ZINC000665300122 435944105 /nfs/dbraw/zinc/94/41/05/435944105.db2.gz YRORCSUYPNDAJC-HUUCEWRRSA-N 2 2 307.319 3.335 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408267 435944307 /nfs/dbraw/zinc/94/43/07/435944307.db2.gz IZJRYKGVCLRJQW-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408267 435944313 /nfs/dbraw/zinc/94/43/13/435944313.db2.gz IZJRYKGVCLRJQW-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408267 435944317 /nfs/dbraw/zinc/94/43/17/435944317.db2.gz IZJRYKGVCLRJQW-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)no1 ZINC000656408267 435944321 /nfs/dbraw/zinc/94/43/21/435944321.db2.gz IZJRYKGVCLRJQW-NBYUQASBSA-N 2 2 323.440 3.017 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1c[nH+]ccc1N ZINC000665299341 435944460 /nfs/dbraw/zinc/94/44/60/435944460.db2.gz KXDAQLXYKAXYIT-CXAGYDPISA-N 2 2 319.412 3.018 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647168616 435956962 /nfs/dbraw/zinc/95/69/62/435956962.db2.gz DKWQNAVNZBGSMC-UHFFFAOYSA-N 2 2 312.461 3.145 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)[C@@H]1CC[NH3+] ZINC000652355254 435957186 /nfs/dbraw/zinc/95/71/86/435957186.db2.gz SNTFYTHSBSWIBK-TZMCWYRMSA-N 2 2 322.403 3.381 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)[C@@H]1CC[NH3+] ZINC000652355254 435957190 /nfs/dbraw/zinc/95/71/90/435957190.db2.gz SNTFYTHSBSWIBK-TZMCWYRMSA-N 2 2 322.403 3.381 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC000650709723 435998624 /nfs/dbraw/zinc/99/86/24/435998624.db2.gz NYAALRSXHXCFAA-GWCFXTLKSA-N 2 2 304.381 3.328 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC000650709723 435998629 /nfs/dbraw/zinc/99/86/29/435998629.db2.gz NYAALRSXHXCFAA-GWCFXTLKSA-N 2 2 304.381 3.328 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280786 435998795 /nfs/dbraw/zinc/99/87/95/435998795.db2.gz BCSVADXZCSZGGE-MOPGFXCFSA-N 2 2 319.493 3.115 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccncc1 ZINC000647280786 435998799 /nfs/dbraw/zinc/99/87/99/435998799.db2.gz BCSVADXZCSZGGE-MOPGFXCFSA-N 2 2 319.493 3.115 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000650719437 436004577 /nfs/dbraw/zinc/00/45/77/436004577.db2.gz QFHUGHUMFBVUNK-LAUBAEHRSA-N 3 2 323.484 3.331 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000650719437 436004585 /nfs/dbraw/zinc/00/45/85/436004585.db2.gz QFHUGHUMFBVUNK-LAUBAEHRSA-N 3 2 323.484 3.331 20 0 DGADLP FC(F)(F)CC1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000656688109 436010907 /nfs/dbraw/zinc/01/09/07/436010907.db2.gz HDFNDUUHVRBLLJ-UHFFFAOYSA-N 2 2 301.337 3.318 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691088 436011072 /nfs/dbraw/zinc/01/10/72/436011072.db2.gz CIMPMPPMVNDUKV-WFASDCNBSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000656691088 436011078 /nfs/dbraw/zinc/01/10/78/436011078.db2.gz CIMPMPPMVNDUKV-WFASDCNBSA-N 2 2 318.383 3.057 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000656703639 436015723 /nfs/dbraw/zinc/01/57/23/436015723.db2.gz ZEUNVKFJGJJPSV-OAHLLOKOSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000656703639 436015729 /nfs/dbraw/zinc/01/57/29/436015729.db2.gz ZEUNVKFJGJJPSV-OAHLLOKOSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](c3cncc(F)c3)C3CC3)cn21 ZINC000647364238 436031872 /nfs/dbraw/zinc/03/18/72/436031872.db2.gz WDTFYTKPEAQZRZ-LJQANCHMSA-N 2 2 324.403 3.460 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cs1 ZINC000647363908 436032888 /nfs/dbraw/zinc/03/28/88/436032888.db2.gz NGMIPQKNNMZOEU-GFCCVEGCSA-N 2 2 300.431 3.301 20 0 DGADLP Cn1cc([C@@H]2C[N@H+](Cc3cccc(C4CCCC4)c3)C[C@H]2[NH3+])cn1 ZINC000656786680 436045275 /nfs/dbraw/zinc/04/52/75/436045275.db2.gz OUOJKQDJPZCWGV-VQTJNVASSA-N 2 2 324.472 3.004 20 0 DGADLP Cn1cc([C@@H]2C[N@@H+](Cc3cccc(C4CCCC4)c3)C[C@H]2[NH3+])cn1 ZINC000656786680 436045276 /nfs/dbraw/zinc/04/52/76/436045276.db2.gz OUOJKQDJPZCWGV-VQTJNVASSA-N 2 2 324.472 3.004 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCCC1 ZINC000656788130 436047931 /nfs/dbraw/zinc/04/79/31/436047931.db2.gz CTLADWALLMVFFF-UHFFFAOYSA-N 2 2 311.429 3.022 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C2 ZINC000650709161 435997101 /nfs/dbraw/zinc/99/71/01/435997101.db2.gz HPYAPYKCKFLMMA-ZFWWWQNUSA-N 2 2 316.342 3.405 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C2 ZINC000650709161 435997103 /nfs/dbraw/zinc/99/71/03/435997103.db2.gz HPYAPYKCKFLMMA-ZFWWWQNUSA-N 2 2 316.342 3.405 20 0 DGADLP c1cn(CC[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)c[nH+]1 ZINC000661539727 436104278 /nfs/dbraw/zinc/10/42/78/436104278.db2.gz JNVSLKOXOFODRO-UHFFFAOYSA-N 2 2 310.426 3.065 20 0 DGADLP c1cn(CC[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c[nH+]1 ZINC000661539727 436104281 /nfs/dbraw/zinc/10/42/81/436104281.db2.gz JNVSLKOXOFODRO-UHFFFAOYSA-N 2 2 310.426 3.065 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480453 436059215 /nfs/dbraw/zinc/05/92/15/436059215.db2.gz OEOSXJMOHXEOIS-GOEBONIOSA-N 2 2 307.507 3.306 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480453 436059220 /nfs/dbraw/zinc/05/92/20/436059220.db2.gz OEOSXJMOHXEOIS-GOEBONIOSA-N 2 2 307.507 3.306 20 0 DGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480452 436061585 /nfs/dbraw/zinc/06/15/85/436061585.db2.gz OEOSXJMOHXEOIS-GDBMZVCRSA-N 2 2 307.507 3.306 20 0 DGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647480452 436061590 /nfs/dbraw/zinc/06/15/90/436061590.db2.gz OEOSXJMOHXEOIS-GDBMZVCRSA-N 2 2 307.507 3.306 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509917 436069241 /nfs/dbraw/zinc/06/92/41/436069241.db2.gz WFDIGYFAGOLZSY-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509917 436069256 /nfs/dbraw/zinc/06/92/56/436069256.db2.gz WFDIGYFAGOLZSY-NXEZZACHSA-N 2 2 304.768 3.111 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661441960 436072247 /nfs/dbraw/zinc/07/22/47/436072247.db2.gz IVZJQOSBMUSELZ-VQIMIIECSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661441960 436072250 /nfs/dbraw/zinc/07/22/50/436072250.db2.gz IVZJQOSBMUSELZ-VQIMIIECSA-N 2 2 313.445 3.164 20 0 DGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534393 436075300 /nfs/dbraw/zinc/07/53/00/436075300.db2.gz MMNGXWFQSGKHSH-XNRPHZJLSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000647534393 436075304 /nfs/dbraw/zinc/07/53/04/436075304.db2.gz MMNGXWFQSGKHSH-XNRPHZJLSA-N 2 2 312.379 3.493 20 0 DGADLP Fc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OC(F)F ZINC000647554312 436082460 /nfs/dbraw/zinc/08/24/60/436082460.db2.gz WPHMEBYIRYEGKA-AWEZNQCLSA-N 2 2 314.351 3.191 20 0 DGADLP COc1ccc2oc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000647553471 436082492 /nfs/dbraw/zinc/08/24/92/436082492.db2.gz AKBNLTZIFGCPQE-KRWDZBQOSA-N 2 2 300.402 3.206 20 0 DGADLP COc1ccc2oc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000647553472 436082643 /nfs/dbraw/zinc/08/26/43/436082643.db2.gz AKBNLTZIFGCPQE-QGZVFWFLSA-N 2 2 300.402 3.206 20 0 DGADLP Clc1cc2c(c(C[NH2+][C@H]3CC[NH2+]C34CCCC4)c1)OCC2 ZINC000647553519 436083156 /nfs/dbraw/zinc/08/31/56/436083156.db2.gz BVOLZQVKGKDKKE-HNNXBMFYSA-N 2 2 306.837 3.039 20 0 DGADLP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553904 436083292 /nfs/dbraw/zinc/08/32/92/436083292.db2.gz MRBNYAWSWPOQSY-SFHVURJKSA-N 2 2 300.446 3.240 20 0 DGADLP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000657317103 436131809 /nfs/dbraw/zinc/13/18/09/436131809.db2.gz QCZKCLUANSZRRC-UHFFFAOYSA-N 2 2 304.482 3.040 20 0 DGADLP Cc1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000657356168 436154387 /nfs/dbraw/zinc/15/43/87/436154387.db2.gz CEQHVHMTUVIOIZ-AYHJJNSGSA-N 2 2 310.445 3.003 20 0 DGADLP Cc1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000657356168 436154392 /nfs/dbraw/zinc/15/43/92/436154392.db2.gz CEQHVHMTUVIOIZ-AYHJJNSGSA-N 2 2 310.445 3.003 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881201 436141072 /nfs/dbraw/zinc/14/10/72/436141072.db2.gz RSYFYJACKAWBQX-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP Brc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881201 436141076 /nfs/dbraw/zinc/14/10/76/436141076.db2.gz RSYFYJACKAWBQX-WFASDCNBSA-N 2 2 309.251 3.196 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903498 436145833 /nfs/dbraw/zinc/14/58/33/436145833.db2.gz KLFGQPAGDMVYEH-DYVFJYSZSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903498 436145836 /nfs/dbraw/zinc/14/58/36/436145836.db2.gz KLFGQPAGDMVYEH-DYVFJYSZSA-N 2 2 308.853 3.313 20 0 DGADLP CC[C@H]1C[N@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647934694 436151906 /nfs/dbraw/zinc/15/19/06/436151906.db2.gz NALLCJRSAHYOQZ-UWVGGRQHSA-N 2 2 307.385 3.030 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2sc(C)nc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647934694 436151910 /nfs/dbraw/zinc/15/19/10/436151910.db2.gz NALLCJRSAHYOQZ-UWVGGRQHSA-N 2 2 307.385 3.030 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H](c1ccccc1)c1cccnc1)CCC2 ZINC000657354711 436153758 /nfs/dbraw/zinc/15/37/58/436153758.db2.gz WDHFZBQUCDYGKR-IBGZPJMESA-N 2 2 304.397 3.104 20 0 DGADLP Clc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)c(Cl)c1 ZINC000657284574 436115115 /nfs/dbraw/zinc/11/51/15/436115115.db2.gz QUMWRBGIKIIAQG-UHFFFAOYSA-N 2 2 310.228 3.468 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1OC(F)F ZINC000657297844 436122175 /nfs/dbraw/zinc/12/21/75/436122175.db2.gz GWDOSHFIBKWIPC-NSHDSACASA-N 2 2 307.344 3.282 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]CCOc1ccc3ccccc3c1)CCC2 ZINC000657300763 436124051 /nfs/dbraw/zinc/12/40/51/436124051.db2.gz NFAZCPAPFACDFR-UHFFFAOYSA-N 2 2 307.397 3.151 20 0 DGADLP CCc1cccc2c(CC[NH2+]Cc3c[nH+]c4n3CCC4)c[nH]c21 ZINC000657356635 436155813 /nfs/dbraw/zinc/15/58/13/436155813.db2.gz GXFYFJDNAVLFRG-UHFFFAOYSA-N 2 2 308.429 3.205 20 0 DGADLP CCCn1nccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657382202 436168421 /nfs/dbraw/zinc/16/84/21/436168421.db2.gz BQYHQIBLTYJKOV-UHFFFAOYSA-N 2 2 304.482 3.180 20 0 DGADLP Clc1cccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccn2)c1 ZINC000647991914 436171323 /nfs/dbraw/zinc/17/13/23/436171323.db2.gz FQLFKLKVTBVOAB-CXAGYDPISA-N 2 2 301.821 3.024 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000653499537 436185566 /nfs/dbraw/zinc/18/55/66/436185566.db2.gz RHGNENBTMMEOGH-KRWDZBQOSA-N 2 2 319.836 3.080 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000653499537 436185575 /nfs/dbraw/zinc/18/55/75/436185575.db2.gz RHGNENBTMMEOGH-KRWDZBQOSA-N 2 2 319.836 3.080 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000651397264 436186541 /nfs/dbraw/zinc/18/65/41/436186541.db2.gz CEZYBZAEVPGOSJ-SJORKVTESA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000651397264 436186546 /nfs/dbraw/zinc/18/65/46/436186546.db2.gz CEZYBZAEVPGOSJ-SJORKVTESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523125 436234633 /nfs/dbraw/zinc/23/46/33/436234633.db2.gz DNCFQHKQLCUZNG-QRQLOZEOSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523125 436234637 /nfs/dbraw/zinc/23/46/37/436234637.db2.gz DNCFQHKQLCUZNG-QRQLOZEOSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657523125 436234641 /nfs/dbraw/zinc/23/46/41/436234641.db2.gz DNCFQHKQLCUZNG-QRQLOZEOSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657523125 436234642 /nfs/dbraw/zinc/23/46/42/436234642.db2.gz DNCFQHKQLCUZNG-QRQLOZEOSA-N 2 2 315.505 3.284 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000657527405 436235706 /nfs/dbraw/zinc/23/57/06/436235706.db2.gz UVVCWOXLSXZXRH-MRXNPFEDSA-N 2 2 318.461 3.200 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000657527405 436235709 /nfs/dbraw/zinc/23/57/09/436235709.db2.gz UVVCWOXLSXZXRH-MRXNPFEDSA-N 2 2 318.461 3.200 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000657527972 436235876 /nfs/dbraw/zinc/23/58/76/436235876.db2.gz JTBUYEABEUPYAE-ZTRSQXPZSA-N 2 2 302.462 3.054 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000657527972 436235879 /nfs/dbraw/zinc/23/58/79/436235879.db2.gz JTBUYEABEUPYAE-ZTRSQXPZSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657417767 436189368 /nfs/dbraw/zinc/18/93/68/436189368.db2.gz WXUYOSOIFAGLBY-UHFFFAOYSA-N 2 2 310.319 3.463 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000657414714 436189601 /nfs/dbraw/zinc/18/96/01/436189601.db2.gz VWWVFKMXTSWULC-QGZVFWFLSA-N 2 2 309.417 3.063 20 0 DGADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657428517 436195395 /nfs/dbraw/zinc/19/53/95/436195395.db2.gz JXUXQCBADWOBRU-OAHLLOKOSA-N 2 2 317.820 3.486 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)n1C ZINC000657499667 436228843 /nfs/dbraw/zinc/22/88/43/436228843.db2.gz AXDPPVIKVRMMMT-HNNXBMFYSA-N 2 2 303.381 3.260 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2ncccc2C(F)(F)F)CCCCCC1 ZINC000666808185 436285382 /nfs/dbraw/zinc/28/53/82/436285382.db2.gz YYMJPECIUHHWTN-UHFFFAOYSA-N 2 2 301.356 3.242 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C[N@@H+]1C1CC1 ZINC000657709261 436286600 /nfs/dbraw/zinc/28/66/00/436286600.db2.gz OZBMJZKMJKAKKO-YQFWSFKMSA-N 2 2 306.494 3.328 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C[N@H+]1C1CC1 ZINC000657709261 436286605 /nfs/dbraw/zinc/28/66/05/436286605.db2.gz OZBMJZKMJKAKKO-YQFWSFKMSA-N 2 2 306.494 3.328 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159330 436288942 /nfs/dbraw/zinc/28/89/42/436288942.db2.gz YCOMBMJDSHIUKB-ZWKOTPCHSA-N 2 2 322.880 3.322 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159330 436288947 /nfs/dbraw/zinc/28/89/47/436288947.db2.gz YCOMBMJDSHIUKB-ZWKOTPCHSA-N 2 2 322.880 3.322 20 0 DGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCC1 ZINC000657559595 436244384 /nfs/dbraw/zinc/24/43/84/436244384.db2.gz OPEOKAUOHYVYFJ-SFHVURJKSA-N 2 2 322.880 3.055 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653742891 436256271 /nfs/dbraw/zinc/25/62/71/436256271.db2.gz JCGDTZYTNWMGOL-LRDDRELGSA-N 2 2 312.417 3.182 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657630962 436264597 /nfs/dbraw/zinc/26/45/97/436264597.db2.gz SLDCNNSPQKLJPD-KBAYOESNSA-N 2 2 300.446 3.123 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657630962 436264599 /nfs/dbraw/zinc/26/45/99/436264599.db2.gz SLDCNNSPQKLJPD-KBAYOESNSA-N 2 2 300.446 3.123 20 0 DGADLP CC(C)CC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000662066263 436264934 /nfs/dbraw/zinc/26/49/34/436264934.db2.gz HQXRFXMXLIBLEG-UHFFFAOYSA-N 2 2 302.462 3.187 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000666753673 436275751 /nfs/dbraw/zinc/27/57/51/436275751.db2.gz QKRVYCCRLMTKMF-UHFFFAOYSA-N 2 2 319.474 3.426 20 0 DGADLP Cn1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c(-c2cc3ccccc3o2)n1 ZINC000666768179 436277304 /nfs/dbraw/zinc/27/73/04/436277304.db2.gz AOTJFMWDVMPKQV-MRXNPFEDSA-N 2 2 324.428 3.065 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770253 436278669 /nfs/dbraw/zinc/27/86/69/436278669.db2.gz QJBWUHUBBUMEPV-CVEARBPZSA-N 2 2 317.477 3.259 20 0 DGADLP Clc1ccccc1CN1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000666769727 436279800 /nfs/dbraw/zinc/27/98/00/436279800.db2.gz DCTHAOBOUPXDPS-QGZVFWFLSA-N 2 2 321.896 3.036 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657931222 436342053 /nfs/dbraw/zinc/34/20/53/436342053.db2.gz KVHDDFFGIAFSKM-RDJZCZTQSA-N 2 2 319.518 3.482 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000666870287 436298001 /nfs/dbraw/zinc/29/80/01/436298001.db2.gz IVGGTKYSLAREDM-AWEZNQCLSA-N 2 2 304.463 3.006 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cs2)cc1 ZINC000666872504 436298120 /nfs/dbraw/zinc/29/81/20/436298120.db2.gz ABECXBUJRLHSSZ-TZMCWYRMSA-N 2 2 317.458 3.049 20 0 DGADLP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000657789494 436305962 /nfs/dbraw/zinc/30/59/62/436305962.db2.gz GGNSAGCDDPMVHP-SJORKVTESA-N 2 2 308.853 3.071 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662249693 436311644 /nfs/dbraw/zinc/31/16/44/436311644.db2.gz YDNGLKUWFUHSLQ-PXNSSMCTSA-N 2 2 310.441 3.238 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662249693 436311648 /nfs/dbraw/zinc/31/16/48/436311648.db2.gz YDNGLKUWFUHSLQ-PXNSSMCTSA-N 2 2 310.441 3.238 20 0 DGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)s2)cc1 ZINC000666945316 436313149 /nfs/dbraw/zinc/31/31/49/436313149.db2.gz JYLKNOCPVNYHRN-KBPBESRZSA-N 2 2 308.397 3.344 20 0 DGADLP C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662253356 436313313 /nfs/dbraw/zinc/31/33/13/436313313.db2.gz SYIWXZZVHYMPOL-DOTOQJQBSA-N 2 2 316.470 3.300 20 0 DGADLP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662253356 436313316 /nfs/dbraw/zinc/31/33/16/436313316.db2.gz SYIWXZZVHYMPOL-DOTOQJQBSA-N 2 2 316.470 3.300 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccccc2OCc2ccccc2)C1 ZINC000666943470 436313400 /nfs/dbraw/zinc/31/34/00/436313400.db2.gz KRUBXJRMVYRPFB-ROUUACIJSA-N 2 2 314.404 3.055 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1CCCn2nccc21)[N@@H+]1CCc2ccccc2C1 ZINC000657826438 436319646 /nfs/dbraw/zinc/31/96/46/436319646.db2.gz GOGKJBKEDUCXLE-RBUKOAKNSA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1CCCn2nccc21)[N@H+]1CCc2ccccc2C1 ZINC000657826438 436319648 /nfs/dbraw/zinc/31/96/48/436319648.db2.gz GOGKJBKEDUCXLE-RBUKOAKNSA-N 2 2 324.472 3.145 20 0 DGADLP FCC1(CF)CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000657831518 436319960 /nfs/dbraw/zinc/31/99/60/436319960.db2.gz ZWSHRFRLXOXZSX-UHFFFAOYSA-N 2 2 305.372 3.109 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657828334 436320540 /nfs/dbraw/zinc/32/05/40/436320540.db2.gz SCCXPTPFYTZAFQ-OALUTQOASA-N 2 2 314.473 3.125 20 0 DGADLP CC[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000657828334 436320543 /nfs/dbraw/zinc/32/05/43/436320543.db2.gz SCCXPTPFYTZAFQ-OALUTQOASA-N 2 2 314.473 3.125 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C(F)F ZINC000657839750 436322630 /nfs/dbraw/zinc/32/26/30/436322630.db2.gz FTHDRKNLJOSEOM-ZDUSSCGKSA-N 2 2 311.420 3.315 20 0 DGADLP CCOC1CCC([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000657841360 436322957 /nfs/dbraw/zinc/32/29/57/436322957.db2.gz DZJXFZQMZYAVIO-JLAWEPINSA-N 2 2 304.478 3.097 20 0 DGADLP C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC(C)(C)[NH3+] ZINC000662292444 436324267 /nfs/dbraw/zinc/32/42/67/436324267.db2.gz IAGRFXOIBXAODC-UHFFFAOYSA-N 2 2 308.429 3.170 20 0 DGADLP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC(C)(C)[NH3+] ZINC000662292444 436324270 /nfs/dbraw/zinc/32/42/70/436324270.db2.gz IAGRFXOIBXAODC-UHFFFAOYSA-N 2 2 308.429 3.170 20 0 DGADLP C([NH2+][C@@H]1COC2(CCC2)C1)C1([NH+]2CCSCC2)CCCCC1 ZINC000657877447 436332044 /nfs/dbraw/zinc/33/20/44/436332044.db2.gz JTEKOZPMHPVOJN-INIZCTEOSA-N 2 2 324.534 3.039 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2nccc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667053189 436332189 /nfs/dbraw/zinc/33/21/89/436332189.db2.gz ZMMXYIYWIFZPNS-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667053189 436332191 /nfs/dbraw/zinc/33/21/91/436332191.db2.gz ZMMXYIYWIFZPNS-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(CF)(CF)C1)c1ccccc1 ZINC000657895469 436334781 /nfs/dbraw/zinc/33/47/81/436334781.db2.gz JTHCGCVGLCTMOY-MRXNPFEDSA-N 2 2 319.399 3.381 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000658058659 436361583 /nfs/dbraw/zinc/36/15/83/436361583.db2.gz FVVQPPUFXPBTPS-YPMHNXCESA-N 2 2 311.857 3.267 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000658058659 436361587 /nfs/dbraw/zinc/36/15/87/436361587.db2.gz FVVQPPUFXPBTPS-YPMHNXCESA-N 2 2 311.857 3.267 20 0 DGADLP CCc1noc(C2CCC([NH2+]C[C@H]3CC[N@@H+]3C(C)(C)C)CC2)n1 ZINC000658059824 436362008 /nfs/dbraw/zinc/36/20/08/436362008.db2.gz XIBDGANZMDCTQN-YMAMQOFZSA-N 2 2 320.481 3.121 20 0 DGADLP CCc1noc(C2CCC([NH2+]C[C@H]3CC[N@H+]3C(C)(C)C)CC2)n1 ZINC000658059824 436362012 /nfs/dbraw/zinc/36/20/12/436362012.db2.gz XIBDGANZMDCTQN-YMAMQOFZSA-N 2 2 320.481 3.121 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658060264 436363654 /nfs/dbraw/zinc/36/36/54/436363654.db2.gz YOAFVFMPVASLEB-ZIAGYGMSSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658060264 436363657 /nfs/dbraw/zinc/36/36/57/436363657.db2.gz YOAFVFMPVASLEB-ZIAGYGMSSA-N 2 2 306.450 3.227 20 0 DGADLP C1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2(C1)CCCCC2 ZINC000658068962 436364893 /nfs/dbraw/zinc/36/48/93/436364893.db2.gz IHAVWDRLGQHLQB-MSOLQXFVSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093314 436374414 /nfs/dbraw/zinc/37/44/14/436374414.db2.gz UHLYWANXTUPPNM-CABCVRRESA-N 2 2 314.477 3.346 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093314 436374419 /nfs/dbraw/zinc/37/44/19/436374419.db2.gz UHLYWANXTUPPNM-CABCVRRESA-N 2 2 314.477 3.346 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658240128 436408802 /nfs/dbraw/zinc/40/88/02/436408802.db2.gz QGTVZDTYOZUYLB-HZPDHXFCSA-N 2 2 311.473 3.345 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2COC3(CCC3)C2)CCC1 ZINC000658026292 436356160 /nfs/dbraw/zinc/35/61/60/436356160.db2.gz CHXRSMLUCHDAGI-SFHVURJKSA-N 2 2 314.473 3.342 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2COC3(CCC3)C2)CCC1 ZINC000658026292 436356164 /nfs/dbraw/zinc/35/61/64/436356164.db2.gz CHXRSMLUCHDAGI-SFHVURJKSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1nccn1C ZINC000658335521 436432648 /nfs/dbraw/zinc/43/26/48/436432648.db2.gz ASZCNNSDNJTJOV-YQQAZPJKSA-N 2 2 304.482 3.114 20 0 DGADLP CCc1ccc([C@@H](CNc2cc(CO)cc(C)[nH+]2)[NH+](C)C)cc1 ZINC000663329006 436439037 /nfs/dbraw/zinc/43/90/37/436439037.db2.gz UOICROHMOSAWGP-GOSISDBHSA-N 2 2 313.445 3.160 20 0 DGADLP C([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1nc2c(s1)CCCC2 ZINC000663346935 436442883 /nfs/dbraw/zinc/44/28/83/436442883.db2.gz XZPOYTZPJYBJCI-OAHLLOKOSA-N 2 2 319.518 3.234 20 0 DGADLP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1nc2c(s1)CCCC2 ZINC000663346935 436442886 /nfs/dbraw/zinc/44/28/86/436442886.db2.gz XZPOYTZPJYBJCI-OAHLLOKOSA-N 2 2 319.518 3.234 20 0 DGADLP Fc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000663345393 436442980 /nfs/dbraw/zinc/44/29/80/436442980.db2.gz JUZDZXNEUOPPRY-ZDUSSCGKSA-N 2 2 312.379 3.316 20 0 DGADLP Fc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000663345393 436442983 /nfs/dbraw/zinc/44/29/83/436442983.db2.gz JUZDZXNEUOPPRY-ZDUSSCGKSA-N 2 2 312.379 3.316 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663349855 436444530 /nfs/dbraw/zinc/44/45/30/436444530.db2.gz SVQFFVKASAQQFT-GOSISDBHSA-N 2 2 324.472 3.190 20 0 DGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663349855 436444534 /nfs/dbraw/zinc/44/45/34/436444534.db2.gz SVQFFVKASAQQFT-GOSISDBHSA-N 2 2 324.472 3.190 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287409 436419853 /nfs/dbraw/zinc/41/98/53/436419853.db2.gz HWNRXUQXPGYOCT-RDJZCZTQSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)C1 ZINC000658287409 436419855 /nfs/dbraw/zinc/41/98/55/436419855.db2.gz HWNRXUQXPGYOCT-RDJZCZTQSA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000658286434 436419879 /nfs/dbraw/zinc/41/98/79/436419879.db2.gz SVMDWTXUXZYKBK-KSZLIROESA-N 2 2 301.478 3.490 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000658286434 436419884 /nfs/dbraw/zinc/41/98/84/436419884.db2.gz SVMDWTXUXZYKBK-KSZLIROESA-N 2 2 301.478 3.490 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000663510058 436473506 /nfs/dbraw/zinc/47/35/06/436473506.db2.gz OLFXEAXSKGDQRB-LBPRGKRZSA-N 2 2 306.356 3.455 20 0 DGADLP Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c(C)[nH+]1 ZINC000659252248 436483213 /nfs/dbraw/zinc/48/32/13/436483213.db2.gz WIBIYAAVQOZMAH-INIZCTEOSA-N 2 2 309.413 3.329 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)ccc2n1C ZINC000659251419 436483339 /nfs/dbraw/zinc/48/33/39/436483339.db2.gz FVSLPCNZCZXKMH-INIZCTEOSA-N 2 2 320.396 3.055 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000660010078 436579156 /nfs/dbraw/zinc/57/91/56/436579156.db2.gz FONMDLVXLLIUHM-UKRRQHHQSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000660010078 436579159 /nfs/dbraw/zinc/57/91/59/436579159.db2.gz FONMDLVXLLIUHM-UKRRQHHQSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1Cl ZINC000660010078 436579160 /nfs/dbraw/zinc/57/91/60/436579160.db2.gz FONMDLVXLLIUHM-UKRRQHHQSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010078 436579162 /nfs/dbraw/zinc/57/91/62/436579162.db2.gz FONMDLVXLLIUHM-UKRRQHHQSA-N 2 2 308.853 3.265 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CCSc2ccc(F)cc2F)CC1 ZINC000659983887 436571188 /nfs/dbraw/zinc/57/11/88/436571188.db2.gz XQWYSXVQJDPLQW-UHFFFAOYSA-N 2 2 314.445 3.473 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CCSc2ccc(F)cc2F)CC1 ZINC000659983887 436571192 /nfs/dbraw/zinc/57/11/92/436571192.db2.gz XQWYSXVQJDPLQW-UHFFFAOYSA-N 2 2 314.445 3.473 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000660064904 436583178 /nfs/dbraw/zinc/58/31/78/436583178.db2.gz XZQQILAQWLQANP-UHFFFAOYSA-N 2 2 303.475 3.301 20 0 DGADLP C[N@H+](CCO[C@@H]1CC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074687 436585819 /nfs/dbraw/zinc/58/58/19/436585819.db2.gz SMZAGFDXQGJHQG-QGZVFWFLSA-N 2 2 324.415 3.007 20 0 DGADLP C[N@@H+](CCO[C@@H]1CC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000660074687 436585822 /nfs/dbraw/zinc/58/58/22/436585822.db2.gz SMZAGFDXQGJHQG-QGZVFWFLSA-N 2 2 324.415 3.007 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116176 436589903 /nfs/dbraw/zinc/58/99/03/436589903.db2.gz ODKLECKQUZPKJE-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116176 436589906 /nfs/dbraw/zinc/58/99/06/436589906.db2.gz ODKLECKQUZPKJE-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116176 436589907 /nfs/dbraw/zinc/58/99/07/436589907.db2.gz ODKLECKQUZPKJE-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000660116176 436589909 /nfs/dbraw/zinc/58/99/09/436589909.db2.gz ODKLECKQUZPKJE-SFHVURJKSA-N 2 2 322.880 3.130 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194233 436602068 /nfs/dbraw/zinc/60/20/68/436602068.db2.gz GPLYQMFDCZMSHV-GOEBONIOSA-N 2 2 310.507 3.150 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194233 436602070 /nfs/dbraw/zinc/60/20/70/436602070.db2.gz GPLYQMFDCZMSHV-GOEBONIOSA-N 2 2 310.507 3.150 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194231 436602532 /nfs/dbraw/zinc/60/25/32/436602532.db2.gz GPLYQMFDCZMSHV-GDBMZVCRSA-N 2 2 310.507 3.150 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194231 436602534 /nfs/dbraw/zinc/60/25/34/436602534.db2.gz GPLYQMFDCZMSHV-GDBMZVCRSA-N 2 2 310.507 3.150 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000660205434 436605301 /nfs/dbraw/zinc/60/53/01/436605301.db2.gz WNUMAXFRPJELIO-LBPRGKRZSA-N 2 2 312.373 3.028 20 0 DGADLP Cc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)o1 ZINC000660245305 436612386 /nfs/dbraw/zinc/61/23/86/436612386.db2.gz QMHDFNVCACMWEO-UHFFFAOYSA-N 2 2 302.422 3.180 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660263712 436616261 /nfs/dbraw/zinc/61/62/61/436616261.db2.gz MAFLOVXRJKDWCB-LSDHHAIUSA-N 2 2 304.434 3.093 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660263712 436616263 /nfs/dbraw/zinc/61/62/63/436616263.db2.gz MAFLOVXRJKDWCB-LSDHHAIUSA-N 2 2 304.434 3.093 20 0 DGADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)co1 ZINC000660271113 436617009 /nfs/dbraw/zinc/61/70/09/436617009.db2.gz XIAQCHOHWKZNLP-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)co1 ZINC000660271113 436617011 /nfs/dbraw/zinc/61/70/11/436617011.db2.gz XIAQCHOHWKZNLP-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc[nH+]1 ZINC000664562013 436618314 /nfs/dbraw/zinc/61/83/14/436618314.db2.gz FKBHJQMQDCJZOU-SFHVURJKSA-N 2 2 322.456 3.499 20 0 DGADLP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nc[nH+]1 ZINC000664562013 436618316 /nfs/dbraw/zinc/61/83/16/436618316.db2.gz FKBHJQMQDCJZOU-SFHVURJKSA-N 2 2 322.456 3.499 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000660303327 436620487 /nfs/dbraw/zinc/62/04/87/436620487.db2.gz RZDYWOOHTUDYBK-GFCCVEGCSA-N 2 2 316.848 3.005 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000660303327 436620489 /nfs/dbraw/zinc/62/04/89/436620489.db2.gz RZDYWOOHTUDYBK-GFCCVEGCSA-N 2 2 316.848 3.005 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000174402510 312763080 /nfs/dbraw/zinc/76/30/80/312763080.db2.gz YPYGRWGKJIGUHU-HNNXBMFYSA-N 2 2 314.429 3.087 20 0 DGADLP Cc1cc(Cl)cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529664502 313249792 /nfs/dbraw/zinc/24/97/92/313249792.db2.gz PGKRKTKHXZYSAP-UHFFFAOYSA-N 2 2 322.880 3.335 20 0 DGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)c(Br)cc1F ZINC000530215765 313340602 /nfs/dbraw/zinc/34/06/02/313340602.db2.gz IUMZHQWFJKGPDE-QMMMGPOBSA-N 2 2 319.193 3.130 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cccnc1C(F)(F)F)C1CCCCC1 ZINC000530226535 313342992 /nfs/dbraw/zinc/34/29/92/313342992.db2.gz RRWQTIRBHAVCJA-CYBMUJFWSA-N 2 2 301.356 3.098 20 0 DGADLP Cc1cc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)no1 ZINC000530617081 313389181 /nfs/dbraw/zinc/38/91/81/313389181.db2.gz KQECOFIIYQUOHL-UHFFFAOYSA-N 2 2 301.434 3.231 20 0 DGADLP Cc1cc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)no1 ZINC000530617081 313389184 /nfs/dbraw/zinc/38/91/84/313389184.db2.gz KQECOFIIYQUOHL-UHFFFAOYSA-N 2 2 301.434 3.231 20 0 DGADLP Cc1nc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000542936519 314107170 /nfs/dbraw/zinc/10/71/70/314107170.db2.gz NHGBCYMRAKCFDH-LJQANCHMSA-N 2 2 322.456 3.157 20 0 DGADLP Cc1nc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000542936519 314107173 /nfs/dbraw/zinc/10/71/73/314107173.db2.gz NHGBCYMRAKCFDH-LJQANCHMSA-N 2 2 322.456 3.157 20 0 DGADLP CCc1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000543059728 314112198 /nfs/dbraw/zinc/11/21/98/314112198.db2.gz CUNKWQGDKOYPLO-UHFFFAOYSA-N 2 2 302.422 3.126 20 0 DGADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000545205749 314232821 /nfs/dbraw/zinc/23/28/21/314232821.db2.gz PRTQDBHOFFXNQL-WMZOPIPTSA-N 2 2 324.509 3.353 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(C(F)(F)F)cs1 ZINC000546645676 314318047 /nfs/dbraw/zinc/31/80/47/314318047.db2.gz AJQNJZREXDNNMH-SNVBAGLBSA-N 2 2 318.368 3.489 20 0 DGADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000548972846 314487757 /nfs/dbraw/zinc/48/77/57/314487757.db2.gz ASQIVIVHSWXVAB-RCCFBDPRSA-N 2 2 306.494 3.047 20 0 DGADLP C[C@@H](Nc1cc[nH+]c2c(Cl)cccc12)[C@H](C)[NH+]1CCOCC1 ZINC000553042765 314630659 /nfs/dbraw/zinc/63/06/59/314630659.db2.gz BWUDCBDABDHYHD-OLZOCXBDSA-N 2 2 319.836 3.409 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@@H](C3CCCCC3)[NH+](C)C)cn2c1 ZINC000556403730 314756757 /nfs/dbraw/zinc/75/67/57/314756757.db2.gz FNGFXGIIYLFQRM-SFHVURJKSA-N 2 2 314.477 3.243 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560268354 314909723 /nfs/dbraw/zinc/90/97/23/314909723.db2.gz VXIIOOIRZOXGBF-KRWDZBQOSA-N 2 2 311.429 3.395 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429386 315114556 /nfs/dbraw/zinc/11/45/56/315114556.db2.gz XTIQOWJXRZSGRQ-QGZVFWFLSA-N 2 2 324.415 3.311 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429386 315114558 /nfs/dbraw/zinc/11/45/58/315114558.db2.gz XTIQOWJXRZSGRQ-QGZVFWFLSA-N 2 2 324.415 3.311 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)C[C@@H]1c1ccccc1 ZINC000563948284 315149582 /nfs/dbraw/zinc/14/95/82/315149582.db2.gz MUWZODVZHAJXNM-PKOBYXMFSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)C[C@@H]1c1ccccc1 ZINC000563948284 315149584 /nfs/dbraw/zinc/14/95/84/315149584.db2.gz MUWZODVZHAJXNM-PKOBYXMFSA-N 2 2 324.472 3.145 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000564144900 315159369 /nfs/dbraw/zinc/15/93/69/315159369.db2.gz XFSZOCLYPBPIJT-OAHLLOKOSA-N 2 2 303.381 3.088 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000564149096 315159705 /nfs/dbraw/zinc/15/97/05/315159705.db2.gz RRKZVMVEDUEGQF-ZULIPRJHSA-N 2 2 318.505 3.426 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000564149096 315159707 /nfs/dbraw/zinc/15/97/07/315159707.db2.gz RRKZVMVEDUEGQF-ZULIPRJHSA-N 2 2 318.505 3.426 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000564149094 315159995 /nfs/dbraw/zinc/15/99/95/315159995.db2.gz RRKZVMVEDUEGQF-RAUXBKROSA-N 2 2 318.505 3.426 20 0 DGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000564149094 315159997 /nfs/dbraw/zinc/15/99/97/315159997.db2.gz RRKZVMVEDUEGQF-RAUXBKROSA-N 2 2 318.505 3.426 20 0 DGADLP COC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cccc(Cl)c1F ZINC000564823126 315202859 /nfs/dbraw/zinc/20/28/59/315202859.db2.gz SFJYAJXAOBLEIR-CQSZACIVSA-N 2 2 302.821 3.144 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)[C@@H]1CCC[NH2+]1 ZINC000564825521 315203469 /nfs/dbraw/zinc/20/34/69/315203469.db2.gz MSURSHPAMWALDI-KXBFYZLASA-N 2 2 314.429 3.227 20 0 DGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[N@@H+](C)CC ZINC000565160670 315236292 /nfs/dbraw/zinc/23/62/92/315236292.db2.gz DJMALPJMBLHMBH-CYBMUJFWSA-N 2 2 319.276 3.128 20 0 DGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[N@H+](C)CC ZINC000565160670 315236294 /nfs/dbraw/zinc/23/62/94/315236294.db2.gz DJMALPJMBLHMBH-CYBMUJFWSA-N 2 2 319.276 3.128 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000565160670 315236296 /nfs/dbraw/zinc/23/62/96/315236296.db2.gz DJMALPJMBLHMBH-CYBMUJFWSA-N 2 2 319.276 3.128 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000565160670 315236298 /nfs/dbraw/zinc/23/62/98/315236298.db2.gz DJMALPJMBLHMBH-CYBMUJFWSA-N 2 2 319.276 3.128 20 0 DGADLP c1cc2cc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccc2[nH]1 ZINC000565213611 315242483 /nfs/dbraw/zinc/24/24/83/315242483.db2.gz CZEHCDXIYPFUQL-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707597 315281687 /nfs/dbraw/zinc/28/16/87/315281687.db2.gz DWNKQEIHLOWJFQ-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707597 315281690 /nfs/dbraw/zinc/28/16/90/315281690.db2.gz DWNKQEIHLOWJFQ-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707597 315281692 /nfs/dbraw/zinc/28/16/92/315281692.db2.gz DWNKQEIHLOWJFQ-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2nc3ccc(F)cc3s2)C1 ZINC000565707597 315281694 /nfs/dbraw/zinc/28/16/94/315281694.db2.gz DWNKQEIHLOWJFQ-WFASDCNBSA-N 2 2 319.449 3.352 20 0 DGADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000565939079 315299339 /nfs/dbraw/zinc/29/93/39/315299339.db2.gz JKQKIYZKMQPCER-QAPCUYQASA-N 2 2 313.445 3.382 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cn1 ZINC000566661332 315366173 /nfs/dbraw/zinc/36/61/73/315366173.db2.gz WVMYYVFEKZBZOF-NDNKKMJESA-N 2 2 324.266 3.120 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cn1 ZINC000566661332 315366175 /nfs/dbraw/zinc/36/61/75/315366175.db2.gz WVMYYVFEKZBZOF-NDNKKMJESA-N 2 2 324.266 3.120 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Br)cc(F)c1F ZINC000568051040 315474378 /nfs/dbraw/zinc/47/43/78/315474378.db2.gz UEVLTICVGAEVMC-ZDUSSCGKSA-N 2 2 321.209 3.190 20 0 DGADLP CCOc1c(Cl)cc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1OC ZINC000568782827 315536660 /nfs/dbraw/zinc/53/66/60/315536660.db2.gz FVFZNLGQSRCSDQ-UHFFFAOYSA-N 2 2 323.824 3.079 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000572354996 315786615 /nfs/dbraw/zinc/78/66/15/315786615.db2.gz HKXVWKOTIKUWBU-MGPUTAFESA-N 2 2 323.440 3.099 20 0 DGADLP Cc1[nH]c(CNCC2([N@H+](C)Cc3ccccc3)CCC2)[nH+]c1C ZINC000574824076 316004271 /nfs/dbraw/zinc/00/42/71/316004271.db2.gz OTDHFTPHZWAHOD-UHFFFAOYSA-N 2 2 312.461 3.171 20 0 DGADLP Cc1[nH]c(CNCC2([N@@H+](C)Cc3ccccc3)CCC2)[nH+]c1C ZINC000574824076 316004276 /nfs/dbraw/zinc/00/42/76/316004276.db2.gz OTDHFTPHZWAHOD-UHFFFAOYSA-N 2 2 312.461 3.171 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccn1 ZINC000575072216 316030824 /nfs/dbraw/zinc/03/08/24/316030824.db2.gz VFBQZAIVZBVTGH-DOXZYTNZSA-N 2 2 311.429 3.039 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000575927563 316076700 /nfs/dbraw/zinc/07/67/00/316076700.db2.gz HFEHMTZUNABHHP-MSOLQXFVSA-N 2 2 322.880 3.116 20 0 DGADLP CCc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000575927781 316076929 /nfs/dbraw/zinc/07/69/29/316076929.db2.gz PWPQWWRPHLUUMY-UHFFFAOYSA-N 2 2 309.457 3.398 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000575988736 316083511 /nfs/dbraw/zinc/08/35/11/316083511.db2.gz XZWDNFRQTZHVOZ-MSOLQXFVSA-N 2 2 318.509 3.361 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000575988736 316083514 /nfs/dbraw/zinc/08/35/14/316083514.db2.gz XZWDNFRQTZHVOZ-MSOLQXFVSA-N 2 2 318.509 3.361 20 0 DGADLP Cc1ccccc1C[N@H+](CCn1cc[nH+]c1)Cc1ccccn1 ZINC000576164236 316101353 /nfs/dbraw/zinc/10/13/53/316101353.db2.gz PVGZGQOWLBUDCJ-UHFFFAOYSA-N 2 2 306.413 3.289 20 0 DGADLP Cc1ccccc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccccn1 ZINC000576164236 316101355 /nfs/dbraw/zinc/10/13/55/316101355.db2.gz PVGZGQOWLBUDCJ-UHFFFAOYSA-N 2 2 306.413 3.289 20 0 DGADLP Cn1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000576695609 316157715 /nfs/dbraw/zinc/15/77/15/316157715.db2.gz QYPFNYMPMNLKME-YQQAZPJKSA-N 2 2 318.852 3.022 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000576742503 316161746 /nfs/dbraw/zinc/16/17/46/316161746.db2.gz RFFRWIRBZFASAE-UHFFFAOYSA-N 2 2 312.461 3.233 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000576742503 316161751 /nfs/dbraw/zinc/16/17/51/316161751.db2.gz RFFRWIRBZFASAE-UHFFFAOYSA-N 2 2 312.461 3.233 20 0 DGADLP Cc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(C)c[nH+]1 ZINC000576833954 316173748 /nfs/dbraw/zinc/17/37/48/316173748.db2.gz GXARIUCNHXSEEA-MRXNPFEDSA-N 2 2 317.820 3.015 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3conc3Cc3ccccc3)CC2)[nH]1 ZINC000577397990 316232925 /nfs/dbraw/zinc/23/29/25/316232925.db2.gz YHEQUFXJNATUNQ-UHFFFAOYSA-N 2 2 322.412 3.368 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)n1C ZINC000577748047 316267389 /nfs/dbraw/zinc/26/73/89/316267389.db2.gz JBNAGJPDUTWFNA-IBGZPJMESA-N 2 2 313.445 3.302 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@H](C)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000577769458 316270415 /nfs/dbraw/zinc/27/04/15/316270415.db2.gz LXJKGAXVUANNPQ-ODIFPOPNSA-N 2 2 320.481 3.114 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCC2CC2)c(F)c1 ZINC000181574852 323259068 /nfs/dbraw/zinc/25/90/68/323259068.db2.gz DTQFKIPRZCVADW-CYBMUJFWSA-N 2 2 303.381 3.162 20 0 DGADLP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1[nH+]ccn1C ZINC000182803703 323312910 /nfs/dbraw/zinc/31/29/10/323312910.db2.gz IMCNCHCQYUXWRJ-CQSZACIVSA-N 2 2 316.474 3.142 20 0 DGADLP CC(C)C1CCC([NH+]2CCN(CCCn3cc[nH+]c3)CC2)CC1 ZINC000182839831 323313318 /nfs/dbraw/zinc/31/33/18/323313318.db2.gz PSLWYIDDEUWHJN-UHFFFAOYSA-N 2 2 318.509 3.106 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682209 323392916 /nfs/dbraw/zinc/39/29/16/323392916.db2.gz ZVOSHAOYHHCWRH-UKRRQHHQSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682209 323392914 /nfs/dbraw/zinc/39/29/14/323392914.db2.gz ZVOSHAOYHHCWRH-UKRRQHHQSA-N 2 2 307.869 3.478 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000578617344 323758541 /nfs/dbraw/zinc/75/85/41/323758541.db2.gz DUFMFTNSAGNLTF-CIMZGTONSA-N 2 2 318.461 3.034 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000580551318 324010471 /nfs/dbraw/zinc/01/04/71/324010471.db2.gz JGVBJCBDGSNPHG-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000580551318 324010476 /nfs/dbraw/zinc/01/04/76/324010476.db2.gz JGVBJCBDGSNPHG-IAGOWNOFSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000580552802 324011493 /nfs/dbraw/zinc/01/14/93/324011493.db2.gz ALKKNHFBWOEDCJ-AWEZNQCLSA-N 2 2 323.868 3.133 20 0 DGADLP c1cn(Cc2ccc(NC3CCC4(CCCO4)CC3)[nH+]c2)c[nH+]1 ZINC000580602389 324018028 /nfs/dbraw/zinc/01/80/28/324018028.db2.gz IIUZDAWNEPPMJC-UHFFFAOYSA-N 2 2 312.417 3.230 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000580771619 324037171 /nfs/dbraw/zinc/03/71/71/324037171.db2.gz QBQFMCKGCQAWII-QZTJIDSGSA-N 2 2 318.367 3.331 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)ccc2n1C ZINC000580889928 324050006 /nfs/dbraw/zinc/05/00/06/324050006.db2.gz BUIMHIHDURNTMC-SGTLLEGYSA-N 2 2 322.412 3.156 20 0 DGADLP CCOC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000581085901 324073549 /nfs/dbraw/zinc/07/35/49/324073549.db2.gz YDDLYSGVAHJEOS-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000581085901 324073552 /nfs/dbraw/zinc/07/35/52/324073552.db2.gz YDDLYSGVAHJEOS-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccn1 ZINC000581141986 324080000 /nfs/dbraw/zinc/08/00/00/324080000.db2.gz HVUJJFNYHBLNBE-OAHLLOKOSA-N 2 2 322.412 3.186 20 0 DGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581227739 324091222 /nfs/dbraw/zinc/09/12/22/324091222.db2.gz BKUVWBYMEYFCQM-GFCCVEGCSA-N 2 2 324.350 3.312 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070741 324185831 /nfs/dbraw/zinc/18/58/31/324185831.db2.gz WLQQWFJWLRLSNG-DOTOQJQBSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070741 324185836 /nfs/dbraw/zinc/18/58/36/324185836.db2.gz WLQQWFJWLRLSNG-DOTOQJQBSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000582368756 324221818 /nfs/dbraw/zinc/22/18/18/324221818.db2.gz QOSOQTOYNONJJT-GJZGRUSLSA-N 2 2 306.425 3.072 20 0 DGADLP CO[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091545 324312590 /nfs/dbraw/zinc/31/25/90/324312590.db2.gz RZVOLLVEVDRDBR-HOCLYGCPSA-N 2 2 319.836 3.251 20 0 DGADLP CO[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000583091545 324312594 /nfs/dbraw/zinc/31/25/94/324312594.db2.gz RZVOLLVEVDRDBR-HOCLYGCPSA-N 2 2 319.836 3.251 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000583545789 324367354 /nfs/dbraw/zinc/36/73/54/324367354.db2.gz GYDUWTUTSUZYHK-MNZLEMJZSA-N 2 2 316.489 3.369 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000583545789 324367359 /nfs/dbraw/zinc/36/73/59/324367359.db2.gz GYDUWTUTSUZYHK-MNZLEMJZSA-N 2 2 316.489 3.369 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000583545788 324367652 /nfs/dbraw/zinc/36/76/52/324367652.db2.gz GYDUWTUTSUZYHK-HGKCTWBKSA-N 2 2 316.489 3.369 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000583545788 324367655 /nfs/dbraw/zinc/36/76/55/324367655.db2.gz GYDUWTUTSUZYHK-HGKCTWBKSA-N 2 2 316.489 3.369 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)CC)o1 ZINC000584389075 337247806 /nfs/dbraw/zinc/24/78/06/337247806.db2.gz KQOJIEGSVNKGHW-RDJZCZTQSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)CC)o1 ZINC000584389075 337247807 /nfs/dbraw/zinc/24/78/07/337247807.db2.gz KQOJIEGSVNKGHW-RDJZCZTQSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)CC)o1 ZINC000584389075 337247808 /nfs/dbraw/zinc/24/78/08/337247808.db2.gz KQOJIEGSVNKGHW-RDJZCZTQSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)CC)o1 ZINC000584389075 337247809 /nfs/dbraw/zinc/24/78/09/337247809.db2.gz KQOJIEGSVNKGHW-RDJZCZTQSA-N 2 2 308.466 3.072 20 0 DGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641113228 500750956 /nfs/dbraw/zinc/75/09/56/500750956.db2.gz XWZROABRYDDHSI-QGZVFWFLSA-N 2 2 315.465 3.453 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423210949 533882684 /nfs/dbraw/zinc/88/26/84/533882684.db2.gz KHWPAUVHENFMCS-UONOGXRCSA-N 2 2 301.459 3.460 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCCC2 ZINC000427881570 533992559 /nfs/dbraw/zinc/99/25/59/533992559.db2.gz ZSNPDGRFYRVDTN-GXTWGEPZSA-N 2 2 301.459 3.489 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000415123879 534043174 /nfs/dbraw/zinc/04/31/74/534043174.db2.gz JVOAFGHOLWPLDW-OCCSQVGLSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000415123879 534043178 /nfs/dbraw/zinc/04/31/78/534043178.db2.gz JVOAFGHOLWPLDW-OCCSQVGLSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000420353007 534108367 /nfs/dbraw/zinc/10/83/67/534108367.db2.gz ACMFQJFJQGOEFG-LALPHHSUSA-N 2 2 316.367 3.104 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430599012 534133833 /nfs/dbraw/zinc/13/38/33/534133833.db2.gz PHVZUBZVGNQOEF-NSHDSACASA-N 2 2 322.840 3.368 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430599012 534133838 /nfs/dbraw/zinc/13/38/38/534133838.db2.gz PHVZUBZVGNQOEF-NSHDSACASA-N 2 2 322.840 3.368 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H]3CC[C@H](C)C3)c2cc1C ZINC000429573280 534139272 /nfs/dbraw/zinc/13/92/72/534139272.db2.gz YUESCCKEXGFSMC-IAOVAPTHSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H]3CC[C@H](C)C3)c2cc1C ZINC000429573280 534139283 /nfs/dbraw/zinc/13/92/83/534139283.db2.gz YUESCCKEXGFSMC-IAOVAPTHSA-N 2 2 315.461 3.134 20 0 DGADLP FC(F)(F)CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697203 534383885 /nfs/dbraw/zinc/38/38/85/534383885.db2.gz XIESQNUNVFMCEN-LLVKDONJSA-N 2 2 319.396 3.040 20 0 DGADLP FC(F)(F)CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697203 534383892 /nfs/dbraw/zinc/38/38/92/534383892.db2.gz XIESQNUNVFMCEN-LLVKDONJSA-N 2 2 319.396 3.040 20 0 DGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000428855033 534419013 /nfs/dbraw/zinc/41/90/13/534419013.db2.gz DHVLLFZRFNSSLF-SECBINFHSA-N 2 2 301.337 3.068 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000162912180 519978726 /nfs/dbraw/zinc/97/87/26/519978726.db2.gz KDAUQCIMATTWFG-HNNXBMFYSA-N 2 2 301.438 3.402 20 0 DGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823519 534462760 /nfs/dbraw/zinc/46/27/60/534462760.db2.gz DRVHDZNRBWAZMU-FUNVUKJBSA-N 2 2 302.315 3.217 20 0 DGADLP c1cc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)cs1 ZINC000437594372 534465753 /nfs/dbraw/zinc/46/57/53/534465753.db2.gz WGYRBADCPVAFJC-UHFFFAOYSA-N 2 2 316.474 3.198 20 0 DGADLP c1cc(-c2n[nH]cc2C[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC000436310299 534465877 /nfs/dbraw/zinc/46/58/77/534465877.db2.gz WSIXLWWQFNRCFS-UHFFFAOYSA-N 2 2 313.430 3.125 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1Cl ZINC000432243778 534470756 /nfs/dbraw/zinc/47/07/56/534470756.db2.gz ADDMUDOMGZTPBY-JTQLQIEISA-N 2 2 314.191 3.434 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427853018 534502484 /nfs/dbraw/zinc/50/24/84/534502484.db2.gz NJYCTMRTRMSQJZ-JSGCOSHPSA-N 2 2 303.406 3.164 20 0 DGADLP c1coc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415033701 534513717 /nfs/dbraw/zinc/51/37/17/534513717.db2.gz BWDKXMXFJBMGPM-UKRRQHHQSA-N 2 2 317.458 3.367 20 0 DGADLP c1coc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000415033701 534513724 /nfs/dbraw/zinc/51/37/24/534513724.db2.gz BWDKXMXFJBMGPM-UKRRQHHQSA-N 2 2 317.458 3.367 20 0 DGADLP Cc1ccc2[nH+]cc(CN3C[C@@H](C)[NH2+]Cc4ccccc43)n2c1 ZINC000415101172 534519596 /nfs/dbraw/zinc/51/95/96/534519596.db2.gz NHRDZCUQTBPHTQ-OAHLLOKOSA-N 2 2 306.413 3.141 20 0 DGADLP c1csc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435434028 534520258 /nfs/dbraw/zinc/52/02/58/534520258.db2.gz VVIKEIPDQZSHQM-CQSZACIVSA-N 2 2 319.499 3.349 20 0 DGADLP c1csc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435434028 534520267 /nfs/dbraw/zinc/52/02/67/534520267.db2.gz VVIKEIPDQZSHQM-CQSZACIVSA-N 2 2 319.499 3.349 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302114351 534621917 /nfs/dbraw/zinc/62/19/17/534621917.db2.gz VOBBQQMVCVPVIS-HNNXBMFYSA-N 2 2 302.466 3.054 20 0 DGADLP Cc1nc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC000302114351 534621923 /nfs/dbraw/zinc/62/19/23/534621923.db2.gz VOBBQQMVCVPVIS-HNNXBMFYSA-N 2 2 302.466 3.054 20 0 DGADLP Cc1cnc([C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000434735527 534643339 /nfs/dbraw/zinc/64/33/39/534643339.db2.gz IVKMVMNMZUWFME-XIRDDKMYSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1cnc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000434735527 534643347 /nfs/dbraw/zinc/64/33/47/534643347.db2.gz IVKMVMNMZUWFME-XIRDDKMYSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1cnc([C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000434735527 534643352 /nfs/dbraw/zinc/64/33/52/534643352.db2.gz IVKMVMNMZUWFME-XIRDDKMYSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1cnc([C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000434735527 534643360 /nfs/dbraw/zinc/64/33/60/534643360.db2.gz IVKMVMNMZUWFME-XIRDDKMYSA-N 2 2 314.433 3.064 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)n1-c1ccccc1 ZINC000323475315 534741219 /nfs/dbraw/zinc/74/12/19/534741219.db2.gz MWWSSPQZBZLJPO-IRXDYDNUSA-N 2 2 313.445 3.069 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000431078151 527258980 /nfs/dbraw/zinc/25/89/80/527258980.db2.gz RZSDIBODWNSTJJ-AWEZNQCLSA-N 2 2 318.396 3.130 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000431078151 527258987 /nfs/dbraw/zinc/25/89/87/527258987.db2.gz RZSDIBODWNSTJJ-AWEZNQCLSA-N 2 2 318.396 3.130 20 0 DGADLP CC(C)[C@H](O)C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787100 527742244 /nfs/dbraw/zinc/74/22/44/527742244.db2.gz RCTKANNYJJZJQN-RTBURBONSA-N 2 2 318.505 3.066 20 0 DGADLP CC(C)[C@H](O)C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787100 527742247 /nfs/dbraw/zinc/74/22/47/527742247.db2.gz RCTKANNYJJZJQN-RTBURBONSA-N 2 2 318.505 3.066 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)n2)cc1 ZINC000430969998 528054207 /nfs/dbraw/zinc/05/42/07/528054207.db2.gz FQMDQLPEBKPQOO-CJNGLKHVSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)n2)cc1 ZINC000430969998 528054211 /nfs/dbraw/zinc/05/42/11/528054211.db2.gz FQMDQLPEBKPQOO-CJNGLKHVSA-N 2 2 314.433 3.029 20 0 DGADLP CCC[N@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000157070383 528135604 /nfs/dbraw/zinc/13/56/04/528135604.db2.gz XZUVLRVETBLLET-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1ccc(C)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000157070383 528135609 /nfs/dbraw/zinc/13/56/09/528135609.db2.gz XZUVLRVETBLLET-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000432787927 528173121 /nfs/dbraw/zinc/17/31/21/528173121.db2.gz IUIKXPCFQJRBFE-LSDHHAIUSA-N 2 2 321.513 3.092 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430585662 528198517 /nfs/dbraw/zinc/19/85/17/528198517.db2.gz SYYCBUILANCYRS-CQSZACIVSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430585662 528198522 /nfs/dbraw/zinc/19/85/22/528198522.db2.gz SYYCBUILANCYRS-CQSZACIVSA-N 2 2 305.466 3.054 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428888518 528260988 /nfs/dbraw/zinc/26/09/88/528260988.db2.gz ODQPUHLAKIIMQX-GFCCVEGCSA-N 2 2 307.438 3.257 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428888518 528260997 /nfs/dbraw/zinc/26/09/97/528260997.db2.gz ODQPUHLAKIIMQX-GFCCVEGCSA-N 2 2 307.438 3.257 20 0 DGADLP CCOc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1O ZINC000297618070 528264066 /nfs/dbraw/zinc/26/40/66/528264066.db2.gz GYGGYEUGAJFYSD-UHFFFAOYSA-N 2 2 318.461 3.241 20 0 DGADLP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000305879041 528608562 /nfs/dbraw/zinc/60/85/62/528608562.db2.gz SWYMFIMDAYKMKG-CQSZACIVSA-N 2 2 324.431 3.036 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000322877013 528826952 /nfs/dbraw/zinc/82/69/52/528826952.db2.gz AIQCCVZEIABDDW-HZPDHXFCSA-N 2 2 312.461 3.163 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000322877013 528826959 /nfs/dbraw/zinc/82/69/59/528826959.db2.gz AIQCCVZEIABDDW-HZPDHXFCSA-N 2 2 312.461 3.163 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000430595267 529047099 /nfs/dbraw/zinc/04/70/99/529047099.db2.gz TVOBUUOETVMIRV-MRXNPFEDSA-N 2 2 319.493 3.228 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000430595267 529047105 /nfs/dbraw/zinc/04/71/05/529047105.db2.gz TVOBUUOETVMIRV-MRXNPFEDSA-N 2 2 319.493 3.228 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C2([NH3+])CCC2)c1 ZINC000449356551 535151661 /nfs/dbraw/zinc/15/16/61/535151661.db2.gz BTJJMTQLXXRJDK-UHFFFAOYSA-N 2 2 312.417 3.170 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486972210 535190903 /nfs/dbraw/zinc/19/09/03/535190903.db2.gz TWOMWHPSCLWTQV-QFBILLFUSA-N 2 2 318.530 3.412 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486972210 535190904 /nfs/dbraw/zinc/19/09/04/535190904.db2.gz TWOMWHPSCLWTQV-QFBILLFUSA-N 2 2 318.530 3.412 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459419842 535501514 /nfs/dbraw/zinc/50/15/14/535501514.db2.gz XLTRYJBOIPWXLF-BZZMCLGOSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H]1SC ZINC000459419842 535501517 /nfs/dbraw/zinc/50/15/17/535501517.db2.gz XLTRYJBOIPWXLF-BZZMCLGOSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459464880 535517011 /nfs/dbraw/zinc/51/70/11/535517011.db2.gz NAKMHVFPJSHPQA-SPUZQDLCSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459464880 535517014 /nfs/dbraw/zinc/51/70/14/535517014.db2.gz NAKMHVFPJSHPQA-SPUZQDLCSA-N 2 2 322.518 3.006 20 0 DGADLP COC[C@@H](C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469071716 536554827 /nfs/dbraw/zinc/55/48/27/536554827.db2.gz QIAKWDOLABNSMF-CRAIPNDOSA-N 2 2 304.478 3.084 20 0 DGADLP COC[C@@H](C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469071716 536554832 /nfs/dbraw/zinc/55/48/32/536554832.db2.gz QIAKWDOLABNSMF-CRAIPNDOSA-N 2 2 304.478 3.084 20 0 DGADLP COc1cccc2c1CC[N@H+](Cc1c(C)[nH+]c3ccccn31)CC2 ZINC000489480479 536941866 /nfs/dbraw/zinc/94/18/66/536941866.db2.gz YNLHMDUXLYJMRU-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1cccc2c1CC[N@@H+](Cc1c(C)[nH+]c3ccccn31)CC2 ZINC000489480479 536941872 /nfs/dbraw/zinc/94/18/72/536941872.db2.gz YNLHMDUXLYJMRU-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673081 545676838 /nfs/dbraw/zinc/67/68/38/545676838.db2.gz HJTXQHLSVIPXQO-JQWIXIFHSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673081 545676842 /nfs/dbraw/zinc/67/68/42/545676842.db2.gz HJTXQHLSVIPXQO-JQWIXIFHSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187061 545825505 /nfs/dbraw/zinc/82/55/05/545825505.db2.gz ZGSBDHOLUNJBNT-XYJFISCASA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187061 545825509 /nfs/dbraw/zinc/82/55/09/545825509.db2.gz ZGSBDHOLUNJBNT-XYJFISCASA-N 2 2 304.478 3.036 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000090847398 545830938 /nfs/dbraw/zinc/83/09/38/545830938.db2.gz KJTCXZQDHKYXBM-QKKBWIMNSA-N 2 2 302.443 3.021 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091868335 545841531 /nfs/dbraw/zinc/84/15/31/545841531.db2.gz QSFZAOPQXRXQCJ-UHFFFAOYSA-N 2 2 317.408 3.012 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000121049210 545892388 /nfs/dbraw/zinc/89/23/88/545892388.db2.gz DNMUEHCWXWRTAE-QGZVFWFLSA-N 2 2 317.383 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000120980653 545892684 /nfs/dbraw/zinc/89/26/84/545892684.db2.gz NRYQFJDJEJDGHG-FHSNZYRGSA-N 2 2 324.415 3.041 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)C[C@H](C)O1 ZINC000120980653 545892689 /nfs/dbraw/zinc/89/26/89/545892689.db2.gz NRYQFJDJEJDGHG-FHSNZYRGSA-N 2 2 324.415 3.041 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123417202 545906026 /nfs/dbraw/zinc/90/60/26/545906026.db2.gz MMXPKVNYTYGUFY-OALUTQOASA-N 2 2 316.489 3.269 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157653991 546042480 /nfs/dbraw/zinc/04/24/80/546042480.db2.gz XZPLYYQXAWSUDU-AEFFLSMTSA-N 2 2 300.446 3.283 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157653991 546042486 /nfs/dbraw/zinc/04/24/86/546042486.db2.gz XZPLYYQXAWSUDU-AEFFLSMTSA-N 2 2 300.446 3.283 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000161647929 546071322 /nfs/dbraw/zinc/07/13/22/546071322.db2.gz MZOUMGDCGAALJL-BFHYXJOUSA-N 2 2 322.424 3.120 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000161647929 546071327 /nfs/dbraw/zinc/07/13/27/546071327.db2.gz MZOUMGDCGAALJL-BFHYXJOUSA-N 2 2 322.424 3.120 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000163690552 546083163 /nfs/dbraw/zinc/08/31/63/546083163.db2.gz IRDMJOHDWRUHEF-IBGZPJMESA-N 2 2 322.468 3.093 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000163742337 546084194 /nfs/dbraw/zinc/08/41/94/546084194.db2.gz SNHYFZCGVHNSEE-KRWDZBQOSA-N 2 2 304.478 3.373 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000163711657 546085036 /nfs/dbraw/zinc/08/50/36/546085036.db2.gz KHTWACZKNGYPSS-DNVCBOLYSA-N 2 2 302.462 3.325 20 0 DGADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000166546417 546096870 /nfs/dbraw/zinc/09/68/70/546096870.db2.gz WIRGCIXGDLERSE-RLLQIKCJSA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000166546417 546096874 /nfs/dbraw/zinc/09/68/74/546096874.db2.gz WIRGCIXGDLERSE-RLLQIKCJSA-N 2 2 314.473 3.228 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccccc3nc2C)C1 ZINC000176273521 546115918 /nfs/dbraw/zinc/11/59/18/546115918.db2.gz CPKKUXJKBGTUEZ-INIZCTEOSA-N 2 2 312.461 3.102 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccccc3nc2C)C1 ZINC000176273521 546115923 /nfs/dbraw/zinc/11/59/23/546115923.db2.gz CPKKUXJKBGTUEZ-INIZCTEOSA-N 2 2 312.461 3.102 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000176273521 546115928 /nfs/dbraw/zinc/11/59/28/546115928.db2.gz CPKKUXJKBGTUEZ-INIZCTEOSA-N 2 2 312.461 3.102 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3ccccc3nc2C)C1 ZINC000176273521 546115934 /nfs/dbraw/zinc/11/59/34/546115934.db2.gz CPKKUXJKBGTUEZ-INIZCTEOSA-N 2 2 312.461 3.102 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000180540690 546145725 /nfs/dbraw/zinc/14/57/25/546145725.db2.gz GSARXNREBGLPJN-KBPBESRZSA-N 2 2 300.450 3.498 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)CC(C)(C)[NH3+])cc3)[nH+]c12 ZINC000237777592 546287865 /nfs/dbraw/zinc/28/78/65/546287865.db2.gz ODVUDEIBHOROIK-UHFFFAOYSA-N 2 2 322.412 3.376 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnn1-c1ccccc1 ZINC000281646790 546389188 /nfs/dbraw/zinc/38/91/88/546389188.db2.gz PKQHHDYFRZQLDC-INIZCTEOSA-N 2 2 321.428 3.420 20 0 DGADLP C[C@@H](C[NH2+]Cc1cscc1Br)C[NH+]1CCCC1 ZINC000302696780 546436388 /nfs/dbraw/zinc/43/63/88/546436388.db2.gz UXKUNWVSSOPBPB-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000285551552 546397484 /nfs/dbraw/zinc/39/74/84/546397484.db2.gz UQUBNLJYEQBDLL-UHFFFAOYSA-N 2 2 317.296 3.473 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000309949221 546451872 /nfs/dbraw/zinc/45/18/72/546451872.db2.gz MEJOUPFAEHAHCX-YJBOKZPZSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2CCSCC2)C[N@H+]1Cc1ccccc1 ZINC000309949221 546451875 /nfs/dbraw/zinc/45/18/75/546451875.db2.gz MEJOUPFAEHAHCX-YJBOKZPZSA-N 2 2 304.503 3.382 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC2(CO)CCCCC2)n1-c1ccccc1 ZINC000321687135 546471711 /nfs/dbraw/zinc/47/17/11/546471711.db2.gz SZIVQUYLYOZROA-UHFFFAOYSA-N 2 2 313.445 3.213 20 0 DGADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]C2CC(C)(C)C2)CCC[N@@H+]1C1CC1 ZINC000345003517 546573134 /nfs/dbraw/zinc/57/31/34/546573134.db2.gz WRJWRDICUMFWNJ-KDOFPFPSSA-N 2 2 316.493 3.114 20 0 DGADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]C2CC(C)(C)C2)CCC[N@H+]1C1CC1 ZINC000345003517 546573137 /nfs/dbraw/zinc/57/31/37/546573137.db2.gz WRJWRDICUMFWNJ-KDOFPFPSSA-N 2 2 316.493 3.114 20 0 DGADLP c1cc(O[C@@H]2CC[N@@H+](CCOC3CCCCCC3)C2)cc[nH+]1 ZINC000347122724 546583348 /nfs/dbraw/zinc/58/33/48/546583348.db2.gz HBSHYRZRKPUZOS-GOSISDBHSA-N 2 2 304.434 3.274 20 0 DGADLP c1cc(O[C@@H]2CC[N@H+](CCOC3CCCCCC3)C2)cc[nH+]1 ZINC000347122724 546583354 /nfs/dbraw/zinc/58/33/54/546583354.db2.gz HBSHYRZRKPUZOS-GOSISDBHSA-N 2 2 304.434 3.274 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255014 546584041 /nfs/dbraw/zinc/58/40/41/546584041.db2.gz UEPUUWPIEDKAJP-LPHOPBHVSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000347255014 546584045 /nfs/dbraw/zinc/58/40/45/546584045.db2.gz UEPUUWPIEDKAJP-LPHOPBHVSA-N 2 2 314.473 3.198 20 0 DGADLP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3[nH]cc[nH+]3)c2)CC1 ZINC000353665544 546664695 /nfs/dbraw/zinc/66/46/95/546664695.db2.gz LAWDDGKKBACHHA-OAHLLOKOSA-N 2 2 313.449 3.113 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000355228624 546678598 /nfs/dbraw/zinc/67/85/98/546678598.db2.gz VQLCXUBKLDTONW-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355228624 546678600 /nfs/dbraw/zinc/67/86/00/546678600.db2.gz VQLCXUBKLDTONW-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000355214199 546678735 /nfs/dbraw/zinc/67/87/35/546678735.db2.gz GVGRONSDSDIUGR-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000355214199 546678739 /nfs/dbraw/zinc/67/87/39/546678739.db2.gz GVGRONSDSDIUGR-LAUBAEHRSA-N 2 2 323.484 3.433 20 0 DGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390621289 546754056 /nfs/dbraw/zinc/75/40/56/546754056.db2.gz ZNYQYJXIXQQBDE-XLIONFOSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390621289 546754061 /nfs/dbraw/zinc/75/40/61/546754061.db2.gz ZNYQYJXIXQQBDE-XLIONFOSSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000390775709 546755134 /nfs/dbraw/zinc/75/51/34/546755134.db2.gz MXHFKBIXSNDGDT-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000390775709 546755139 /nfs/dbraw/zinc/75/51/39/546755139.db2.gz MXHFKBIXSNDGDT-LJQANCHMSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419684544 546804216 /nfs/dbraw/zinc/80/42/16/546804216.db2.gz MEHBYMGNMDKADV-KBXCAEBGSA-N 2 2 312.461 3.289 20 0 DGADLP Cc1cc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000436438734 546823479 /nfs/dbraw/zinc/82/34/79/546823479.db2.gz YKJJFYXLTJDSMT-JKSUJKDBSA-N 2 2 310.445 3.193 20 0 DGADLP c1nc(C2CC2)c(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000486957100 546915823 /nfs/dbraw/zinc/91/58/23/546915823.db2.gz OJMHVRPJRYSSLK-UHFFFAOYSA-N 2 2 302.447 3.397 20 0 DGADLP C[C@H]1CC[N@H+](Cc2scnc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000494925900 546936096 /nfs/dbraw/zinc/93/60/96/546936096.db2.gz VPJDQTWFIWBRGT-JSGCOSHPSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000494925900 546936099 /nfs/dbraw/zinc/93/60/99/546936099.db2.gz VPJDQTWFIWBRGT-JSGCOSHPSA-N 2 2 302.447 3.300 20 0 DGADLP Cc1cccc(OCC[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667490009 547199519 /nfs/dbraw/zinc/19/95/19/547199519.db2.gz NLOVURGWGWNPST-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1cccc(OCC[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667490009 547199524 /nfs/dbraw/zinc/19/95/24/547199524.db2.gz NLOVURGWGWNPST-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1C ZINC000667496008 547202402 /nfs/dbraw/zinc/20/24/02/547202402.db2.gz FEPGVRLDLIJOJJ-CQSZACIVSA-N 2 2 310.401 3.249 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1C ZINC000667496008 547202409 /nfs/dbraw/zinc/20/24/09/547202409.db2.gz FEPGVRLDLIJOJJ-CQSZACIVSA-N 2 2 310.401 3.249 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2F)CC1 ZINC000667534200 547214098 /nfs/dbraw/zinc/21/40/98/547214098.db2.gz QEEVZHNFHLTZCA-UHFFFAOYSA-N 2 2 300.368 3.410 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2F)CC1 ZINC000667534200 547214101 /nfs/dbraw/zinc/21/41/01/547214101.db2.gz QEEVZHNFHLTZCA-UHFFFAOYSA-N 2 2 300.368 3.410 20 0 DGADLP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667564285 547227876 /nfs/dbraw/zinc/22/78/76/547227876.db2.gz HXYZFAHBFWOWKP-INIZCTEOSA-N 2 2 311.429 3.045 20 0 DGADLP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667564285 547227877 /nfs/dbraw/zinc/22/78/77/547227877.db2.gz HXYZFAHBFWOWKP-INIZCTEOSA-N 2 2 311.429 3.045 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@@H+]1C ZINC000667667443 547267745 /nfs/dbraw/zinc/26/77/45/547267745.db2.gz NAUCSGGMMAADCZ-HIFRSBDPSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)CC[N@H+]1C ZINC000667667443 547267747 /nfs/dbraw/zinc/26/77/47/547267747.db2.gz NAUCSGGMMAADCZ-HIFRSBDPSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667443 547267751 /nfs/dbraw/zinc/26/77/51/547267751.db2.gz NAUCSGGMMAADCZ-HIFRSBDPSA-N 2 2 306.425 3.281 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)CC[NH+]1C ZINC000667667443 547267752 /nfs/dbraw/zinc/26/77/52/547267752.db2.gz NAUCSGGMMAADCZ-HIFRSBDPSA-N 2 2 306.425 3.281 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)n1C ZINC000667677479 547271738 /nfs/dbraw/zinc/27/17/38/547271738.db2.gz SUWXXBOQNGGPKE-HNNXBMFYSA-N 2 2 301.459 3.343 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)n1C ZINC000667677479 547271741 /nfs/dbraw/zinc/27/17/41/547271741.db2.gz SUWXXBOQNGGPKE-HNNXBMFYSA-N 2 2 301.459 3.343 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C ZINC000667688272 547274587 /nfs/dbraw/zinc/27/45/87/547274587.db2.gz LJCRCIWQCPDWSQ-MRXNPFEDSA-N 3 2 318.509 3.205 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C ZINC000667688272 547274594 /nfs/dbraw/zinc/27/45/94/547274594.db2.gz LJCRCIWQCPDWSQ-MRXNPFEDSA-N 3 2 318.509 3.205 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000667698453 547279081 /nfs/dbraw/zinc/27/90/81/547279081.db2.gz CVEVIWVYURUEQP-RISCZKNCSA-N 2 2 309.335 3.384 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000667698453 547279084 /nfs/dbraw/zinc/27/90/84/547279084.db2.gz CVEVIWVYURUEQP-RISCZKNCSA-N 2 2 309.335 3.384 20 0 DGADLP COCc1csc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000667698648 547279306 /nfs/dbraw/zinc/27/93/06/547279306.db2.gz IVYXVMMRIPJBJS-CJNGLKHVSA-N 2 2 305.447 3.174 20 0 DGADLP COCc1csc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000667698648 547279309 /nfs/dbraw/zinc/27/93/09/547279309.db2.gz IVYXVMMRIPJBJS-CJNGLKHVSA-N 2 2 305.447 3.174 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000667821520 547312109 /nfs/dbraw/zinc/31/21/09/547312109.db2.gz GNXYYAJIHSNNDE-HSALFYBXSA-N 2 2 314.473 3.289 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000668011396 547360321 /nfs/dbraw/zinc/36/03/21/547360321.db2.gz AATJSNUGTBJONN-HSALFYBXSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000668011396 547360325 /nfs/dbraw/zinc/36/03/25/547360325.db2.gz AATJSNUGTBJONN-HSALFYBXSA-N 2 2 314.473 3.198 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1)[NH+](C)C ZINC000668036055 547366581 /nfs/dbraw/zinc/36/65/81/547366581.db2.gz BXQXLCPUIQGMGB-CBVHJVASSA-N 2 2 302.462 3.143 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172243 547402931 /nfs/dbraw/zinc/40/29/31/547402931.db2.gz ILNJUSZGNZZFPV-CZUORRHYSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(OC2CC2)c1F ZINC000668172243 547402934 /nfs/dbraw/zinc/40/29/34/547402934.db2.gz ILNJUSZGNZZFPV-CZUORRHYSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172243 547402937 /nfs/dbraw/zinc/40/29/37/547402937.db2.gz ILNJUSZGNZZFPV-CZUORRHYSA-N 2 2 306.425 3.139 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC000668172243 547402940 /nfs/dbraw/zinc/40/29/40/547402940.db2.gz ILNJUSZGNZZFPV-CZUORRHYSA-N 2 2 306.425 3.139 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668200455 547413398 /nfs/dbraw/zinc/41/33/98/547413398.db2.gz YJLXTNCWKCVQBH-GUYCJALGSA-N 2 2 317.820 3.183 20 0 DGADLP CC(C)(C)CC(C)(C)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000668225869 547421484 /nfs/dbraw/zinc/42/14/84/547421484.db2.gz YITOTRFLQLSVSZ-UHFFFAOYSA-N 2 2 318.509 3.162 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1C ZINC000668239161 547425632 /nfs/dbraw/zinc/42/56/32/547425632.db2.gz IAJCJQNOMZJCEN-GOSISDBHSA-N 2 2 311.429 3.082 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1C ZINC000668239161 547425636 /nfs/dbraw/zinc/42/56/36/547425636.db2.gz IAJCJQNOMZJCEN-GOSISDBHSA-N 2 2 311.429 3.082 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+]1CC3(CCOCC3)[C@H]1c1ccccc1)CCC2 ZINC000668238844 547425976 /nfs/dbraw/zinc/42/59/76/547425976.db2.gz AKKHRNFRKFJEGF-LJQANCHMSA-N 2 2 323.440 3.183 20 0 DGADLP c1[nH+]c2n(c1C[N@H+]1CC3(CCOCC3)[C@H]1c1ccccc1)CCC2 ZINC000668238844 547425978 /nfs/dbraw/zinc/42/59/78/547425978.db2.gz AKKHRNFRKFJEGF-LJQANCHMSA-N 2 2 323.440 3.183 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1O ZINC000668432331 547455100 /nfs/dbraw/zinc/45/51/00/547455100.db2.gz PUHNDOKBVLWCFO-GOEBONIOSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1O ZINC000668432331 547455105 /nfs/dbraw/zinc/45/51/05/547455105.db2.gz PUHNDOKBVLWCFO-GOEBONIOSA-N 2 2 320.477 3.184 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+](C)CC3C[NH+](C)C3)s2)cc1 ZINC000668539970 547474934 /nfs/dbraw/zinc/47/49/34/547474934.db2.gz RZYNORSYGGGTFF-UHFFFAOYSA-N 2 2 301.459 3.112 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+](C)CC3C[NH+](C)C3)s2)cc1 ZINC000668539970 547474939 /nfs/dbraw/zinc/47/49/39/547474939.db2.gz RZYNORSYGGGTFF-UHFFFAOYSA-N 2 2 301.459 3.112 20 0 DGADLP CCCOc1ccc(C[N@H+](C)CC2C[NH+](C)C2)c(OCCC)c1 ZINC000668538034 547475296 /nfs/dbraw/zinc/47/52/96/547475296.db2.gz RZCBJUIQLKOWCL-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)c(OCCC)c1 ZINC000668538034 547475297 /nfs/dbraw/zinc/47/52/97/547475297.db2.gz RZCBJUIQLKOWCL-UHFFFAOYSA-N 2 2 320.477 3.258 20 0 DGADLP CCOc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1OCC(C)C ZINC000668537902 547475486 /nfs/dbraw/zinc/47/54/86/547475486.db2.gz PFHJWYSFWOLQJV-UHFFFAOYSA-N 2 2 320.477 3.114 20 0 DGADLP CCOc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1OCC(C)C ZINC000668537902 547475487 /nfs/dbraw/zinc/47/54/87/547475487.db2.gz PFHJWYSFWOLQJV-UHFFFAOYSA-N 2 2 320.477 3.114 20 0 DGADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c[nH+]c12 ZINC000668677244 547507313 /nfs/dbraw/zinc/50/73/13/547507313.db2.gz KDCGMKWEKXSXAM-VXGBXAGGSA-N 2 2 320.234 3.247 20 0 DGADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c[nH+]c12 ZINC000668677244 547507316 /nfs/dbraw/zinc/50/73/16/547507316.db2.gz KDCGMKWEKXSXAM-VXGBXAGGSA-N 2 2 320.234 3.247 20 0 DGADLP CCc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785765 547541174 /nfs/dbraw/zinc/54/11/74/547541174.db2.gz WYJPCCDMHVBDKV-INIZCTEOSA-N 2 2 324.896 3.445 20 0 DGADLP CCc1cccc(Cl)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785765 547541179 /nfs/dbraw/zinc/54/11/79/547541179.db2.gz WYJPCCDMHVBDKV-INIZCTEOSA-N 2 2 324.896 3.445 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000668794015 547543406 /nfs/dbraw/zinc/54/34/06/547543406.db2.gz XWLUXFIFSJOHNY-UHFFFAOYSA-N 2 2 322.412 3.002 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986277 547767967 /nfs/dbraw/zinc/76/79/67/547767967.db2.gz CGVPXPUPXVGVEQ-MOPGFXCFSA-N 2 2 320.452 3.464 20 0 DGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986277 547767970 /nfs/dbraw/zinc/76/79/70/547767970.db2.gz CGVPXPUPXVGVEQ-MOPGFXCFSA-N 2 2 320.452 3.464 20 0 DGADLP C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cn2ccccc2[nH+]1 ZINC000671119345 547770252 /nfs/dbraw/zinc/77/02/52/547770252.db2.gz QXBYFKJVHMZBCX-CYBMUJFWSA-N 2 2 304.357 3.088 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671240652 547779249 /nfs/dbraw/zinc/77/92/49/547779249.db2.gz HFLIHJDILIBOBQ-GDBMZVCRSA-N 2 2 323.400 3.331 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671240652 547779251 /nfs/dbraw/zinc/77/92/51/547779251.db2.gz HFLIHJDILIBOBQ-GDBMZVCRSA-N 2 2 323.400 3.331 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322508 548061651 /nfs/dbraw/zinc/06/16/51/548061651.db2.gz SKVWAFUMUWULRM-HNNXBMFYSA-N 2 2 305.809 3.382 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322508 548061655 /nfs/dbraw/zinc/06/16/55/548061655.db2.gz SKVWAFUMUWULRM-HNNXBMFYSA-N 2 2 305.809 3.382 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880405 548129252 /nfs/dbraw/zinc/12/92/52/548129252.db2.gz GYLPQEOFYUAKRJ-MJGOQNOKSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000674880405 548129256 /nfs/dbraw/zinc/12/92/56/548129256.db2.gz GYLPQEOFYUAKRJ-MJGOQNOKSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000674880474 548129545 /nfs/dbraw/zinc/12/95/45/548129545.db2.gz JXXDIJSWJIOKFC-UWVAXJGDSA-N 2 2 309.457 3.295 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000674880474 548129546 /nfs/dbraw/zinc/12/95/46/548129546.db2.gz JXXDIJSWJIOKFC-UWVAXJGDSA-N 2 2 309.457 3.295 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000675733808 548261455 /nfs/dbraw/zinc/26/14/55/548261455.db2.gz MYQZZLYEXCTNCA-ZDUSSCGKSA-N 2 2 324.440 3.368 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000675766140 548266574 /nfs/dbraw/zinc/26/65/74/548266574.db2.gz WBLFTQOHENDAGO-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000675766140 548266576 /nfs/dbraw/zinc/26/65/76/548266576.db2.gz WBLFTQOHENDAGO-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)(F)F ZINC000675768495 548266897 /nfs/dbraw/zinc/26/68/97/548266897.db2.gz YYNYKFCDYCQFEV-NEPJUHHUSA-N 2 2 302.340 3.330 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000675834566 548280121 /nfs/dbraw/zinc/28/01/21/548280121.db2.gz WXHVJIGGBQBJAZ-QFBILLFUSA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000675834566 548280126 /nfs/dbraw/zinc/28/01/26/548280126.db2.gz WXHVJIGGBQBJAZ-QFBILLFUSA-N 2 2 300.446 3.147 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882027 548285062 /nfs/dbraw/zinc/28/50/62/548285062.db2.gz POPLZOKPFIXLGF-WBVHZDCISA-N 2 2 318.486 3.066 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000675894348 548287447 /nfs/dbraw/zinc/28/74/47/548287447.db2.gz AIVCNIKWKIPEKZ-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000675894348 548287450 /nfs/dbraw/zinc/28/74/50/548287450.db2.gz AIVCNIKWKIPEKZ-LSTHTHJFSA-N 2 2 316.489 3.038 20 0 DGADLP Fc1ccc(SCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676477526 548366432 /nfs/dbraw/zinc/36/64/32/548366432.db2.gz LBYQUZONHINKFC-OAHLLOKOSA-N 2 2 305.422 3.451 20 0 DGADLP Fc1ccc(SCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676477526 548366438 /nfs/dbraw/zinc/36/64/38/548366438.db2.gz LBYQUZONHINKFC-OAHLLOKOSA-N 2 2 305.422 3.451 20 0 DGADLP CN(C)c1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000677737261 548548406 /nfs/dbraw/zinc/54/84/06/548548406.db2.gz RBLGZDRIRFBDTQ-UHFFFAOYSA-N 2 2 310.445 3.224 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806472 548559195 /nfs/dbraw/zinc/55/91/95/548559195.db2.gz DCTZNHOFOVCKFH-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806472 548559201 /nfs/dbraw/zinc/55/92/01/548559201.db2.gz DCTZNHOFOVCKFH-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccn1 ZINC000678029034 548595692 /nfs/dbraw/zinc/59/56/92/548595692.db2.gz DVDOVTCGAHZSKI-IEBWSBKVSA-N 2 2 317.477 3.156 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235280 548649363 /nfs/dbraw/zinc/64/93/63/548649363.db2.gz QDVUSLXTFOVRKQ-INIZCTEOSA-N 2 2 315.417 3.046 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235280 548649367 /nfs/dbraw/zinc/64/93/67/548649367.db2.gz QDVUSLXTFOVRKQ-INIZCTEOSA-N 2 2 315.417 3.046 20 0 DGADLP COc1ccc2[nH]cc(CC[NH2+]Cc3cccc4[nH+]ccn43)c2c1 ZINC000678303780 548675925 /nfs/dbraw/zinc/67/59/25/548675925.db2.gz XZQOAVGGKOKBPN-UHFFFAOYSA-N 2 2 320.396 3.157 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)n1 ZINC000678411036 548696599 /nfs/dbraw/zinc/69/65/99/548696599.db2.gz GASMMPUXIBEIKQ-MRXNPFEDSA-N 2 2 310.445 3.413 20 0 DGADLP CC[C@H](O)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592614 548735650 /nfs/dbraw/zinc/73/56/50/548735650.db2.gz UNDTWODCSWNQLV-MSOLQXFVSA-N 2 2 304.478 3.180 20 0 DGADLP CC[C@H](O)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678592614 548735651 /nfs/dbraw/zinc/73/56/51/548735651.db2.gz UNDTWODCSWNQLV-MSOLQXFVSA-N 2 2 304.478 3.180 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678768692 548759672 /nfs/dbraw/zinc/75/96/72/548759672.db2.gz QFUCDYLUIOZKCJ-SZVBFZGTSA-N 2 2 302.462 3.010 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678768692 548759676 /nfs/dbraw/zinc/75/96/76/548759676.db2.gz QFUCDYLUIOZKCJ-SZVBFZGTSA-N 2 2 302.462 3.010 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000678936570 548796743 /nfs/dbraw/zinc/79/67/43/548796743.db2.gz FGOFJDPXZBHEOX-TZMCWYRMSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000678936570 548796746 /nfs/dbraw/zinc/79/67/46/548796746.db2.gz FGOFJDPXZBHEOX-TZMCWYRMSA-N 2 2 323.278 3.472 20 0 DGADLP CCCC[C@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044595 548822741 /nfs/dbraw/zinc/82/27/41/548822741.db2.gz PIVXOQVYYAHAHG-PKOBYXMFSA-N 2 2 304.478 3.182 20 0 DGADLP CCCC[C@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044595 548822746 /nfs/dbraw/zinc/82/27/46/548822746.db2.gz PIVXOQVYYAHAHG-PKOBYXMFSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042734 548822915 /nfs/dbraw/zinc/82/29/15/548822915.db2.gz CVHBMJQJYZGGDB-MISYRCLQSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042734 548822920 /nfs/dbraw/zinc/82/29/20/548822920.db2.gz CVHBMJQJYZGGDB-MISYRCLQSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)CCCCO)[NH+]2CCCC2)cc1 ZINC000679338496 548881837 /nfs/dbraw/zinc/88/18/37/548881837.db2.gz OWDBXKLKRBEMBK-MJGOQNOKSA-N 2 2 304.478 3.273 20 0 DGADLP CC[C@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)c1ccc(F)cn1 ZINC000679345469 548882564 /nfs/dbraw/zinc/88/25/64/548882564.db2.gz SJRXTNXIJXRJOT-INIZCTEOSA-N 2 2 312.392 3.460 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3C[C@@H](OC(C)C)C3(C)C)[nH+]c12 ZINC000680938211 549131958 /nfs/dbraw/zinc/13/19/58/549131958.db2.gz FFORZTDNHPAQFS-IAGOWNOFSA-N 2 2 315.461 3.367 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)[nH+]c12 ZINC000680938212 549132119 /nfs/dbraw/zinc/13/21/19/549132119.db2.gz FFORZTDNHPAQFS-IRXDYDNUSA-N 2 2 315.461 3.367 20 0 DGADLP CCOC(C)(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681984695 549272456 /nfs/dbraw/zinc/27/24/56/549272456.db2.gz AIRZKFARZFEVLG-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP CCOC(C)(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681984695 549272458 /nfs/dbraw/zinc/27/24/58/549272458.db2.gz AIRZKFARZFEVLG-KRWDZBQOSA-N 2 2 304.478 3.444 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000682732781 549364493 /nfs/dbraw/zinc/36/44/93/549364493.db2.gz PXHCSAGDKCHJBF-HNAYVOBHSA-N 2 2 314.473 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000682732781 549364497 /nfs/dbraw/zinc/36/44/97/549364497.db2.gz PXHCSAGDKCHJBF-HNAYVOBHSA-N 2 2 314.473 3.492 20 0 DGADLP C[NH+](C)CC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000682783020 549372876 /nfs/dbraw/zinc/37/28/76/549372876.db2.gz ZRBISVHBAVKIJC-UHFFFAOYSA-N 2 2 318.411 3.270 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000682780908 549373050 /nfs/dbraw/zinc/37/30/50/549373050.db2.gz UCPSIFWUDYKYGH-QGZVFWFLSA-N 2 2 319.468 3.212 20 0 DGADLP C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000682780908 549373053 /nfs/dbraw/zinc/37/30/53/549373053.db2.gz UCPSIFWUDYKYGH-QGZVFWFLSA-N 2 2 319.468 3.212 20 0 DGADLP Cc1ccnc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000683015192 549415336 /nfs/dbraw/zinc/41/53/36/549415336.db2.gz BGHDXZQFMWBABZ-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccnc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000683015192 549415337 /nfs/dbraw/zinc/41/53/37/549415337.db2.gz BGHDXZQFMWBABZ-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cn1 ZINC000683018778 549416242 /nfs/dbraw/zinc/41/62/42/549416242.db2.gz VHRVNFSWEZFQMR-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cn1 ZINC000683018778 549416244 /nfs/dbraw/zinc/41/62/44/549416244.db2.gz VHRVNFSWEZFQMR-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP Cc1[nH+]ccc(NCc2ccc(N(C)C(C)C)[nH+]c2)c1Cl ZINC000683070568 549425798 /nfs/dbraw/zinc/42/57/98/549425798.db2.gz ICHWNJCFXDBAOT-UHFFFAOYSA-N 2 2 304.825 3.317 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000683161852 549442465 /nfs/dbraw/zinc/44/24/65/549442465.db2.gz GXUOTOBCXBPBGI-DZGCQCFKSA-N 2 2 304.463 3.375 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000683161852 549442469 /nfs/dbraw/zinc/44/24/69/549442469.db2.gz GXUOTOBCXBPBGI-DZGCQCFKSA-N 2 2 304.463 3.375 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345465 549471955 /nfs/dbraw/zinc/47/19/55/549471955.db2.gz COAGRKRZYXGTLO-KBAYOESNSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345465 549471956 /nfs/dbraw/zinc/47/19/56/549471956.db2.gz COAGRKRZYXGTLO-KBAYOESNSA-N 2 2 302.462 3.054 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2c1 ZINC000683352390 549472843 /nfs/dbraw/zinc/47/28/43/549472843.db2.gz APPIFERILQJUJX-CYBMUJFWSA-N 2 2 316.405 3.469 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2c1 ZINC000683352390 549472848 /nfs/dbraw/zinc/47/28/48/549472848.db2.gz APPIFERILQJUJX-CYBMUJFWSA-N 2 2 316.405 3.469 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)[NH+](C)C)cc1 ZINC000684368412 549620020 /nfs/dbraw/zinc/62/00/20/549620020.db2.gz HVGPTOPJMJBSDB-QYZOEREBSA-N 2 2 304.478 3.399 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000684367930 549620197 /nfs/dbraw/zinc/62/01/97/549620197.db2.gz ISCROAUSGWTMRM-RBUKOAKNSA-N 2 2 316.489 3.371 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000684367930 549620198 /nfs/dbraw/zinc/62/01/98/549620198.db2.gz ISCROAUSGWTMRM-RBUKOAKNSA-N 2 2 316.489 3.371 20 0 DGADLP Cc1ccc(CCC[NH2+]CCN2CCCc3ccccc32)c[nH+]1 ZINC000684373015 549621680 /nfs/dbraw/zinc/62/16/80/549621680.db2.gz WIDQDMNIKJMGEJ-UHFFFAOYSA-N 2 2 309.457 3.365 20 0 DGADLP C([NH2+]C1CC([NH+]2CCCCC2)C1)c1nc2c(s1)CCCC2 ZINC000684425151 549635600 /nfs/dbraw/zinc/63/56/00/549635600.db2.gz DRZJJIASDJEGPB-UHFFFAOYSA-N 2 2 305.491 3.128 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4cccnc43)CC2)nc1 ZINC000684953072 549724199 /nfs/dbraw/zinc/72/41/99/549724199.db2.gz GLAXGLLECCZJHV-IBGZPJMESA-N 2 2 322.456 3.108 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000685421686 549756794 /nfs/dbraw/zinc/75/67/94/549756794.db2.gz AEJNKBOQSQIVLU-JFIYKMOQSA-N 3 2 303.494 3.279 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ncccc1C(F)(F)F ZINC000685462567 549765384 /nfs/dbraw/zinc/76/53/84/549765384.db2.gz SSWZJLLIDDPFFK-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ncccc1C(F)(F)F ZINC000685462567 549765386 /nfs/dbraw/zinc/76/53/86/549765386.db2.gz SSWZJLLIDDPFFK-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470696 549767210 /nfs/dbraw/zinc/76/72/10/549767210.db2.gz JYEFSGKHDSLIPB-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470696 549767214 /nfs/dbraw/zinc/76/72/14/549767214.db2.gz JYEFSGKHDSLIPB-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470696 549767218 /nfs/dbraw/zinc/76/72/18/549767218.db2.gz JYEFSGKHDSLIPB-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470696 549767219 /nfs/dbraw/zinc/76/72/19/549767219.db2.gz JYEFSGKHDSLIPB-DOMZBBRYSA-N 2 2 313.367 3.017 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)Cn1cc[nH+]c1 ZINC000731678211 574556361 /nfs/dbraw/zinc/55/63/61/574556361.db2.gz IVEOVPHZLOTWQN-HNNXBMFYSA-N 2 2 313.445 3.413 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1occc1Br)C(C)(C)C ZINC000735320818 574697672 /nfs/dbraw/zinc/69/76/72/574697672.db2.gz AQPOIAYDFAMHTG-ZDUSSCGKSA-N 2 2 317.271 3.498 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000742374854 574993488 /nfs/dbraw/zinc/99/34/88/574993488.db2.gz IEEARJLDTNDRFR-OCCSQVGLSA-N 2 2 312.889 3.217 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1Cl ZINC000742374854 574993490 /nfs/dbraw/zinc/99/34/90/574993490.db2.gz IEEARJLDTNDRFR-OCCSQVGLSA-N 2 2 312.889 3.217 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000742423744 574999317 /nfs/dbraw/zinc/99/93/17/574999317.db2.gz ZJIIZXRZAORGHH-QGZVFWFLSA-N 2 2 310.445 3.311 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000742423744 574999318 /nfs/dbraw/zinc/99/93/18/574999318.db2.gz ZJIIZXRZAORGHH-QGZVFWFLSA-N 2 2 310.445 3.311 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)CCCC[NH+]3CCCC3)ccc2n1C ZINC000742944730 575025636 /nfs/dbraw/zinc/02/56/36/575025636.db2.gz BMZNOCYYHQQAAN-UHFFFAOYSA-N 2 2 314.433 3.086 20 0 DGADLP CCCCCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1OC ZINC000729682157 575260346 /nfs/dbraw/zinc/26/03/46/575260346.db2.gz NYRXQDIGXMPJIQ-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP CCCCCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1OC ZINC000729682157 575260349 /nfs/dbraw/zinc/26/03/49/575260349.db2.gz NYRXQDIGXMPJIQ-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP CCOc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1O ZINC000729685493 575260491 /nfs/dbraw/zinc/26/04/91/575260491.db2.gz DFJRZFFFCSYJBO-UHFFFAOYSA-N 2 2 323.396 3.266 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000729682443 575260573 /nfs/dbraw/zinc/26/05/73/575260573.db2.gz RKDGRJKXVYMLER-CYBMUJFWSA-N 2 2 313.228 3.063 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000729682443 575260574 /nfs/dbraw/zinc/26/05/74/575260574.db2.gz RKDGRJKXVYMLER-CYBMUJFWSA-N 2 2 313.228 3.063 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000750831137 575754698 /nfs/dbraw/zinc/75/46/98/575754698.db2.gz VOBHLYPEIYWMFW-GJZGRUSLSA-N 2 2 303.475 3.165 20 0 DGADLP Clc1cnn(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C1CC1 ZINC000853497461 620701714 /nfs/dbraw/zinc/70/17/14/620701714.db2.gz ZGELILFNLCQJOU-UHFFFAOYSA-N 2 2 322.884 3.179 20 0 DGADLP c1nn(C2CCC2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892086238 617959098 /nfs/dbraw/zinc/95/90/98/617959098.db2.gz ONPCJPHHCNSUBJ-KRWDZBQOSA-N 2 2 302.466 3.058 20 0 DGADLP c1nn(C2CCC2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892086238 617959100 /nfs/dbraw/zinc/95/91/00/617959100.db2.gz ONPCJPHHCNSUBJ-KRWDZBQOSA-N 2 2 302.466 3.058 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000892231192 617990785 /nfs/dbraw/zinc/99/07/85/617990785.db2.gz XXEKIIZWHCFRST-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000892231192 617990787 /nfs/dbraw/zinc/99/07/87/617990787.db2.gz XXEKIIZWHCFRST-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000892231192 617990788 /nfs/dbraw/zinc/99/07/88/617990788.db2.gz XXEKIIZWHCFRST-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000892231192 617990791 /nfs/dbraw/zinc/99/07/91/617990791.db2.gz XXEKIIZWHCFRST-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP C[C@H]1CN(c2ccc([NH2+]CC3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000892352208 618040090 /nfs/dbraw/zinc/04/00/90/618040090.db2.gz GMSZGEVPSQEMKL-HOTGVXAUSA-N 2 2 317.477 3.054 20 0 DGADLP CCCSC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000892614401 618119304 /nfs/dbraw/zinc/11/93/04/618119304.db2.gz IKAIKKCYDSFFCU-INIZCTEOSA-N 2 2 322.518 3.140 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000892650698 618126534 /nfs/dbraw/zinc/12/65/34/618126534.db2.gz PMOYZWIKPKSDOR-SGMGOOAPSA-N 2 2 314.271 3.061 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000920094576 620782466 /nfs/dbraw/zinc/78/24/66/620782466.db2.gz GHQLMPYOVJAXFD-DOTOQJQBSA-N 2 2 316.445 3.272 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000920094576 620782469 /nfs/dbraw/zinc/78/24/69/620782469.db2.gz GHQLMPYOVJAXFD-DOTOQJQBSA-N 2 2 316.445 3.272 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccn2c[nH+]cc12 ZINC000892820060 618318342 /nfs/dbraw/zinc/31/83/42/618318342.db2.gz PNOGPSIHRIEQKS-WBVHZDCISA-N 2 2 321.428 3.052 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccn2c[nH+]cc12 ZINC000892820060 618318346 /nfs/dbraw/zinc/31/83/46/618318346.db2.gz PNOGPSIHRIEQKS-WBVHZDCISA-N 2 2 321.428 3.052 20 0 DGADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cnc1F ZINC000894472603 618341775 /nfs/dbraw/zinc/34/17/75/618341775.db2.gz UGAVVJOFMNICMK-UHFFFAOYSA-N 2 2 316.424 3.418 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000894478880 618350968 /nfs/dbraw/zinc/35/09/68/618350968.db2.gz FLRSNVALVPHBOY-UHFFFAOYSA-N 2 2 305.397 3.202 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000894478880 618350974 /nfs/dbraw/zinc/35/09/74/618350974.db2.gz FLRSNVALVPHBOY-UHFFFAOYSA-N 2 2 305.397 3.202 20 0 DGADLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000893079231 618416651 /nfs/dbraw/zinc/41/66/51/618416651.db2.gz HSUUTBUHRZRROX-INIZCTEOSA-N 2 2 311.385 3.095 20 0 DGADLP C[N@H+](Cc1ccccc1OCC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748543 618443690 /nfs/dbraw/zinc/44/36/90/618443690.db2.gz OHZXZKHWIJYEFJ-XYPWUTKMSA-N 2 2 324.415 3.388 20 0 DGADLP C[N@@H+](Cc1ccccc1OCC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748543 618443691 /nfs/dbraw/zinc/44/36/91/618443691.db2.gz OHZXZKHWIJYEFJ-XYPWUTKMSA-N 2 2 324.415 3.388 20 0 DGADLP C[NH+](Cc1ccccc1OCC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894748543 618443693 /nfs/dbraw/zinc/44/36/93/618443693.db2.gz OHZXZKHWIJYEFJ-XYPWUTKMSA-N 2 2 324.415 3.388 20 0 DGADLP C[NH+](Cc1ccccc1OCC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748543 618443694 /nfs/dbraw/zinc/44/36/94/618443694.db2.gz OHZXZKHWIJYEFJ-XYPWUTKMSA-N 2 2 324.415 3.388 20 0 DGADLP Clc1nccc2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)sc21 ZINC000894793804 618462137 /nfs/dbraw/zinc/46/21/37/618462137.db2.gz JBFRQDYQRQOCTM-SNVBAGLBSA-N 2 2 318.833 3.320 20 0 DGADLP CC1(C)[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530164 618475167 /nfs/dbraw/zinc/47/51/67/618475167.db2.gz OLHHDUWOOZESLM-QYZOEREBSA-N 3 2 319.537 3.150 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925678110 618527444 /nfs/dbraw/zinc/52/74/44/618527444.db2.gz CCBOEVJLEZBQGK-LSDHHAIUSA-N 2 2 311.832 3.132 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCCSCC2)CC1 ZINC000895112574 618540981 /nfs/dbraw/zinc/54/09/81/618540981.db2.gz BRZQOIKRTJHPDT-BZUAXINKSA-N 2 2 305.491 3.444 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925723307 618556824 /nfs/dbraw/zinc/55/68/24/618556824.db2.gz URNQZRXKBITFIS-QFBILLFUSA-N 3 2 303.494 3.175 20 0 DGADLP CCc1c[nH]c2nc[nH+]c(N3CCC(c4[nH]c(C)c(C)[nH+]4)CC3)c12 ZINC000895228272 618577633 /nfs/dbraw/zinc/57/76/33/618577633.db2.gz XSLHTDKYVDAFGQ-UHFFFAOYSA-N 2 2 324.432 3.244 20 0 DGADLP C[C@@H](CC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)[NH+](C)C ZINC000895293791 618589971 /nfs/dbraw/zinc/58/99/71/618589971.db2.gz RAUXAHUSZYPZLM-JTQLQIEISA-N 2 2 315.248 3.071 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925776569 618616204 /nfs/dbraw/zinc/61/62/04/618616204.db2.gz MAVPBJUVMXHENA-IAQYHMDHSA-N 2 2 318.358 3.496 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c(C)s1 ZINC000925797720 618621753 /nfs/dbraw/zinc/62/17/53/618621753.db2.gz VEHAQEJWXBDYGN-ZFWWWQNUSA-N 2 2 308.491 3.174 20 0 DGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925797047 618621942 /nfs/dbraw/zinc/62/19/42/618621942.db2.gz TUEMVKAUBIFLSE-AEFFLSMTSA-N 2 2 302.462 3.113 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000893977274 618686608 /nfs/dbraw/zinc/68/66/08/618686608.db2.gz DBFHVDVFBLMCLB-IRXDYDNUSA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000893977274 618686610 /nfs/dbraw/zinc/68/66/10/618686610.db2.gz DBFHVDVFBLMCLB-IRXDYDNUSA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893977274 618686611 /nfs/dbraw/zinc/68/66/11/618686611.db2.gz DBFHVDVFBLMCLB-IRXDYDNUSA-N 2 2 316.493 3.059 20 0 DGADLP Cc1ccnc(N)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893977274 618686612 /nfs/dbraw/zinc/68/66/12/618686612.db2.gz DBFHVDVFBLMCLB-IRXDYDNUSA-N 2 2 316.493 3.059 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000894112318 618713321 /nfs/dbraw/zinc/71/33/21/618713321.db2.gz FEYCDZWVHOZEDY-LJQANCHMSA-N 2 2 311.429 3.328 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000894112318 618713322 /nfs/dbraw/zinc/71/33/22/618713322.db2.gz FEYCDZWVHOZEDY-LJQANCHMSA-N 2 2 311.429 3.328 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccns1 ZINC000924888557 618722968 /nfs/dbraw/zinc/72/29/68/618722968.db2.gz JUBNMYFRRUFXMU-NEPJUHHUSA-N 2 2 304.463 3.303 20 0 DGADLP C[C@H]1CC2(CC([NH2+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)CO1 ZINC000924890374 618723817 /nfs/dbraw/zinc/72/38/17/618723817.db2.gz SERSSVAJEVMPPK-ICBLQISZSA-N 2 2 317.477 3.043 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1csc2ccccc12 ZINC000924964185 618751746 /nfs/dbraw/zinc/75/17/46/618751746.db2.gz JMSKZBBEIICEEF-ZNMIVQPWSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1csc2ccccc12 ZINC000924964185 618751747 /nfs/dbraw/zinc/75/17/47/618751747.db2.gz JMSKZBBEIICEEF-ZNMIVQPWSA-N 2 2 316.470 3.415 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2COCC2(C)C)c(C)c1 ZINC000894356459 618771091 /nfs/dbraw/zinc/77/10/91/618771091.db2.gz KGNPQDWYGXUYSB-QZTJIDSGSA-N 2 2 313.445 3.256 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375740 618775948 /nfs/dbraw/zinc/77/59/48/618775948.db2.gz DHHNELSPIZGQGN-DOTOQJQBSA-N 2 2 306.498 3.190 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000895375740 618775949 /nfs/dbraw/zinc/77/59/49/618775949.db2.gz DHHNELSPIZGQGN-DOTOQJQBSA-N 2 2 306.498 3.190 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000895564158 618799434 /nfs/dbraw/zinc/79/94/34/618799434.db2.gz ITQNFMOVZOVULH-YUELXQCFSA-N 2 2 315.299 3.157 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000895564158 618799435 /nfs/dbraw/zinc/79/94/35/618799435.db2.gz ITQNFMOVZOVULH-YUELXQCFSA-N 2 2 315.299 3.157 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000895694607 618818030 /nfs/dbraw/zinc/81/80/30/618818030.db2.gz WNDLTDJNQBDWTQ-RDJZCZTQSA-N 2 2 314.429 3.146 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000895694607 618818032 /nfs/dbraw/zinc/81/80/32/618818032.db2.gz WNDLTDJNQBDWTQ-RDJZCZTQSA-N 2 2 314.429 3.146 20 0 DGADLP CCC1([NH+]2CCC2)CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000895828480 618835142 /nfs/dbraw/zinc/83/51/42/618835142.db2.gz VATWKIWBCWTWNN-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP OC1(C2(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCC2)CCC1 ZINC000895867298 618844395 /nfs/dbraw/zinc/84/43/95/618844395.db2.gz DDWWMXUQRMONMA-UHFFFAOYSA-N 2 2 317.458 3.109 20 0 DGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c2c(n1)CCCC2 ZINC000896025168 618862401 /nfs/dbraw/zinc/86/24/01/618862401.db2.gz GLIATZGEKCYBDA-UHFFFAOYSA-N 2 2 313.489 3.329 20 0 DGADLP COc1cccc(C)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896194774 618885479 /nfs/dbraw/zinc/88/54/79/618885479.db2.gz RPTPBFLWZDTRPF-UHFFFAOYSA-N 2 2 311.429 3.475 20 0 DGADLP c1cc2c(cc1C[NH+]1CCC([NH2+]C3CCC3)CC1)CCCO2 ZINC000897976887 619202058 /nfs/dbraw/zinc/20/20/58/619202058.db2.gz AMAPZQNUYXVVLD-UHFFFAOYSA-N 2 2 300.446 3.118 20 0 DGADLP c1c2ccncc2sc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981002 619203063 /nfs/dbraw/zinc/20/30/63/619203063.db2.gz HYJUSDKTTYNKGQ-UHFFFAOYSA-N 2 2 301.459 3.403 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)c1OC ZINC000897982519 619203161 /nfs/dbraw/zinc/20/31/61/619203161.db2.gz MOFOSGKBNGPGMM-UHFFFAOYSA-N 2 2 318.461 3.119 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccccc1C(F)(F)F)C[NH+](C)C ZINC000926961660 619252960 /nfs/dbraw/zinc/25/29/60/619252960.db2.gz KAJHVVFSVVAMKR-OLZOCXBDSA-N 2 2 318.383 3.323 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1sc(C(C)C)nc1C)C[NH+](C)C ZINC000926966184 619253604 /nfs/dbraw/zinc/25/36/04/619253604.db2.gz VXBMJJMTYJPHCE-JSGCOSHPSA-N 2 2 313.511 3.192 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000926965391 619254196 /nfs/dbraw/zinc/25/41/96/619254196.db2.gz QMOOMNCKGYXQKK-WFASDCNBSA-N 2 2 318.383 3.323 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCSC4(CCC4)C3)CC2)[nH+]c1 ZINC000927039681 619259870 /nfs/dbraw/zinc/25/98/70/619259870.db2.gz VPFQMOUXKJGSHC-INIZCTEOSA-N 2 2 317.502 3.458 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704320 619260714 /nfs/dbraw/zinc/26/07/14/619260714.db2.gz DISAXJMBQCPAKC-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924704320 619260715 /nfs/dbraw/zinc/26/07/15/619260715.db2.gz DISAXJMBQCPAKC-YLJYHZDGSA-N 2 2 309.457 3.411 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c(F)cccc2OC(F)F)C1 ZINC000902347152 619619966 /nfs/dbraw/zinc/61/99/66/619619966.db2.gz LNAWFUUBHLVNSB-NSHDSACASA-N 2 2 316.367 3.295 20 0 DGADLP CCn1ccnc1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902385745 619629671 /nfs/dbraw/zinc/62/96/71/619629671.db2.gz AJQKUNHFZFKSCP-MRXNPFEDSA-N 2 2 322.403 3.141 20 0 DGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(-n2cccn2)cc1 ZINC000902440813 619636637 /nfs/dbraw/zinc/63/66/37/619636637.db2.gz AKTJSBZELFYHPQ-VHKYSDTDSA-N 2 2 318.424 3.148 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000902415133 619638061 /nfs/dbraw/zinc/63/80/61/619638061.db2.gz BOBOEWZOOQXYHN-LLVKDONJSA-N 2 2 313.264 3.067 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H](C)c1nc2ccccc2s1 ZINC000902475327 619638442 /nfs/dbraw/zinc/63/84/42/619638442.db2.gz IJCANDOGRKUPEC-IHWVXMPCSA-N 2 2 301.459 3.271 20 0 DGADLP Brc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902479084 619638992 /nfs/dbraw/zinc/63/89/92/619638992.db2.gz ZZDPHHDSVKSEIZ-QKPAOTATSA-N 2 2 321.262 3.383 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902478492 619639106 /nfs/dbraw/zinc/63/91/06/619639106.db2.gz XNMAEJBOHHDBEA-RPBVYFRGSA-N 2 2 321.262 3.480 20 0 DGADLP Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000902724645 619666198 /nfs/dbraw/zinc/66/61/98/619666198.db2.gz FEBVJQCDYXRVLL-KRWDZBQOSA-N 2 2 323.444 3.427 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000902754924 619670843 /nfs/dbraw/zinc/67/08/43/619670843.db2.gz IZWBDLFGOOVBFD-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000902754926 619670894 /nfs/dbraw/zinc/67/08/94/619670894.db2.gz IZWBDLFGOOVBFD-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902828078 619680391 /nfs/dbraw/zinc/68/03/91/619680391.db2.gz VSADIOUQSKKXKI-BFYDXBDKSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902831556 619681946 /nfs/dbraw/zinc/68/19/46/619681946.db2.gz BAFAFUKXUONEFF-VQIMIIECSA-N 2 2 321.424 3.299 20 0 DGADLP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902944324 619693144 /nfs/dbraw/zinc/69/31/44/619693144.db2.gz FJTAAQSZYDAYHZ-INIZCTEOSA-N 3 2 312.461 3.255 20 0 DGADLP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000903082562 619712761 /nfs/dbraw/zinc/71/27/61/619712761.db2.gz UOJLINBUNFXEDE-UHBLESBASA-N 2 2 318.505 3.187 20 0 DGADLP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000903082562 619712764 /nfs/dbraw/zinc/71/27/64/619712764.db2.gz UOJLINBUNFXEDE-UHBLESBASA-N 2 2 318.505 3.187 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000903074259 619716030 /nfs/dbraw/zinc/71/60/30/619716030.db2.gz UPVUAQIAKGOJMF-AYOQOUSVSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000903074259 619716032 /nfs/dbraw/zinc/71/60/32/619716032.db2.gz UPVUAQIAKGOJMF-AYOQOUSVSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903074259 619716034 /nfs/dbraw/zinc/71/60/34/619716034.db2.gz UPVUAQIAKGOJMF-AYOQOUSVSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000903074259 619716037 /nfs/dbraw/zinc/71/60/37/619716037.db2.gz UPVUAQIAKGOJMF-AYOQOUSVSA-N 2 2 324.472 3.145 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1cccnc1 ZINC000903376591 619767872 /nfs/dbraw/zinc/76/78/72/619767872.db2.gz FWTKQOAHKGFLRA-GBESFXJTSA-N 2 2 317.477 3.012 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C12CCC2 ZINC000903380897 619768610 /nfs/dbraw/zinc/76/86/10/619768610.db2.gz POYGTBARSAYJHN-OKZBNKHCSA-N 2 2 317.477 3.012 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000903384689 619769659 /nfs/dbraw/zinc/76/96/59/619769659.db2.gz SQSAWLBSWBAYIU-HOTGVXAUSA-N 2 2 305.466 3.010 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000903527385 619783774 /nfs/dbraw/zinc/78/37/74/619783774.db2.gz XPCGSLPIULLKME-GBESFXJTSA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000903527385 619783775 /nfs/dbraw/zinc/78/37/75/619783775.db2.gz XPCGSLPIULLKME-GBESFXJTSA-N 2 2 302.462 3.371 20 0 DGADLP C[NH2+]CC[N@H+](CCC(=O)Nc1cccc2ccccc21)C(C)C ZINC000903570519 619784370 /nfs/dbraw/zinc/78/43/70/619784370.db2.gz NFSLYLVJLAPCBB-UHFFFAOYSA-N 2 2 313.445 3.098 20 0 DGADLP C[NH2+]CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)C(C)C ZINC000903570519 619784371 /nfs/dbraw/zinc/78/43/71/619784371.db2.gz NFSLYLVJLAPCBB-UHFFFAOYSA-N 2 2 313.445 3.098 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nc3c(o2)CCCC3)CCC1 ZINC000903810501 619817548 /nfs/dbraw/zinc/81/75/48/619817548.db2.gz CJTNKKPQWWQJOQ-MRXNPFEDSA-N 2 2 303.450 3.037 20 0 DGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nc3c(o2)CCCC3)CCC1 ZINC000903810501 619817551 /nfs/dbraw/zinc/81/75/51/619817551.db2.gz CJTNKKPQWWQJOQ-MRXNPFEDSA-N 2 2 303.450 3.037 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccco3)on2)CCC1 ZINC000903812940 619818323 /nfs/dbraw/zinc/81/83/23/619818323.db2.gz BNOOPCLTSNTFSZ-KRWDZBQOSA-N 2 2 315.417 3.418 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccco3)on2)CCC1 ZINC000903812940 619818325 /nfs/dbraw/zinc/81/83/25/619818325.db2.gz BNOOPCLTSNTFSZ-KRWDZBQOSA-N 2 2 315.417 3.418 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000903890272 619826171 /nfs/dbraw/zinc/82/61/71/619826171.db2.gz AWMZVUXMNHPSKZ-GJZGRUSLSA-N 2 2 300.368 3.205 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000903890272 619826173 /nfs/dbraw/zinc/82/61/73/619826173.db2.gz AWMZVUXMNHPSKZ-GJZGRUSLSA-N 2 2 300.368 3.205 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]([NH3+])CC(F)F ZINC000903883263 619827881 /nfs/dbraw/zinc/82/78/81/619827881.db2.gz GTSNOFYUNHCWPX-LBPRGKRZSA-N 2 2 321.209 3.254 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1)C[C@@H]([NH3+])CC(F)F ZINC000903883263 619827883 /nfs/dbraw/zinc/82/78/83/619827883.db2.gz GTSNOFYUNHCWPX-LBPRGKRZSA-N 2 2 321.209 3.254 20 0 DGADLP Cc1ccc(OCc2nc(C[NH2+]CCC(C)(C)[NH3+])cs2)cc1 ZINC000903938829 619837968 /nfs/dbraw/zinc/83/79/68/619837968.db2.gz MJNNIVRZYBIMCU-UHFFFAOYSA-N 2 2 319.474 3.248 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957368 619839035 /nfs/dbraw/zinc/83/90/35/619839035.db2.gz QBOGHICEMYKKNM-GFCCVEGCSA-N 2 2 302.796 3.237 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000903955217 619846558 /nfs/dbraw/zinc/84/65/58/619846558.db2.gz NBFHOOUNXAEEPG-SNVBAGLBSA-N 2 2 309.187 3.328 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000904450359 619923541 /nfs/dbraw/zinc/92/35/41/619923541.db2.gz PTNAVQMRXWLKGC-UHFFFAOYSA-N 2 2 323.156 3.049 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000905392293 619996950 /nfs/dbraw/zinc/99/69/50/619996950.db2.gz YDGPRIIVTVMKJO-OALUTQOASA-N 2 2 302.462 3.025 20 0 DGADLP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000905392293 619996951 /nfs/dbraw/zinc/99/69/51/619996951.db2.gz YDGPRIIVTVMKJO-OALUTQOASA-N 2 2 302.462 3.025 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000906502173 620103256 /nfs/dbraw/zinc/10/32/56/620103256.db2.gz HHPTVPSEEFAZKU-NSHDSACASA-N 2 2 312.339 3.325 20 0 DGADLP C[N@H+]1CCCC[C@H]1CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000906502173 620103258 /nfs/dbraw/zinc/10/32/58/620103258.db2.gz HHPTVPSEEFAZKU-NSHDSACASA-N 2 2 312.339 3.325 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000852566657 620630497 /nfs/dbraw/zinc/63/04/97/620630497.db2.gz NVWROTCKXWNYKU-AOIWGVFYSA-N 2 2 301.478 3.114 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000852566657 620630501 /nfs/dbraw/zinc/63/05/01/620630501.db2.gz NVWROTCKXWNYKU-AOIWGVFYSA-N 2 2 301.478 3.114 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cnn(C2CCC2)c1)Cc1ccccc1 ZINC000921509767 620878006 /nfs/dbraw/zinc/87/80/06/620878006.db2.gz SEQVYLNDXWHUDA-UHFFFAOYSA-N 2 2 312.461 3.220 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cnn(C2CCC2)c1)Cc1ccccc1 ZINC000921509767 620878012 /nfs/dbraw/zinc/87/80/12/620878012.db2.gz SEQVYLNDXWHUDA-UHFFFAOYSA-N 2 2 312.461 3.220 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cnn(CC4CCC4)c3)cc2)c[nH+]1 ZINC000921604291 620913158 /nfs/dbraw/zinc/91/31/58/620913158.db2.gz ROIDAXZAEVUZOF-UHFFFAOYSA-N 2 2 321.428 3.159 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1Br ZINC000922016586 620980944 /nfs/dbraw/zinc/98/09/44/620980944.db2.gz CRNIXSLUTDKZGK-ZDUSSCGKSA-N 2 2 320.234 3.059 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925491782 621089383 /nfs/dbraw/zinc/08/93/83/621089383.db2.gz KFHDPMOEYCIKSA-PBHICJAKSA-N 2 2 320.502 3.360 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCCC4(CCC4)O3)cc2)c[nH+]1 ZINC000922805814 621103295 /nfs/dbraw/zinc/10/32/95/621103295.db2.gz QJFQMRQFSGAJCN-GOSISDBHSA-N 2 2 311.429 3.454 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863864 621124915 /nfs/dbraw/zinc/12/49/15/621124915.db2.gz BUWJRTVUVPDVGS-YSVLISHTSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863864 621124918 /nfs/dbraw/zinc/12/49/18/621124918.db2.gz BUWJRTVUVPDVGS-YSVLISHTSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857863864 621124919 /nfs/dbraw/zinc/12/49/19/621124919.db2.gz BUWJRTVUVPDVGS-YSVLISHTSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857863864 621124923 /nfs/dbraw/zinc/12/49/23/621124923.db2.gz BUWJRTVUVPDVGS-YSVLISHTSA-N 2 2 302.466 3.030 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922955208 621137699 /nfs/dbraw/zinc/13/76/99/621137699.db2.gz YMBHELRPEZYSON-KDOFPFPSSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922955208 621137702 /nfs/dbraw/zinc/13/77/02/621137702.db2.gz YMBHELRPEZYSON-KDOFPFPSSA-N 2 2 322.880 3.114 20 0 DGADLP Oc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000922975970 621140939 /nfs/dbraw/zinc/14/09/39/621140939.db2.gz PMGFAOQLHLFXAU-SFHVURJKSA-N 2 2 323.440 3.074 20 0 DGADLP Oc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000922975970 621140941 /nfs/dbraw/zinc/14/09/41/621140941.db2.gz PMGFAOQLHLFXAU-SFHVURJKSA-N 2 2 323.440 3.074 20 0 DGADLP CCC[NH+](CCC)CCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996910 621141980 /nfs/dbraw/zinc/14/19/80/621141980.db2.gz FVUHCMJTGPSUQJ-UHFFFAOYSA-N 2 2 318.465 3.051 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923323416 621176335 /nfs/dbraw/zinc/17/63/35/621176335.db2.gz UGZHBJPPWQAEMG-HQSKLWIPSA-N 3 2 316.493 3.003 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923323416 621176337 /nfs/dbraw/zinc/17/63/37/621176337.db2.gz UGZHBJPPWQAEMG-HQSKLWIPSA-N 3 2 316.493 3.003 20 0 DGADLP CC[N@H+](Cc1cc(Cl)n(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997202 621353656 /nfs/dbraw/zinc/35/36/56/621353656.db2.gz KQJMYULPVMLRFX-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP CC[N@@H+](Cc1cc(Cl)n(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997202 621353657 /nfs/dbraw/zinc/35/36/57/621353657.db2.gz KQJMYULPVMLRFX-UHFFFAOYSA-N 2 2 320.868 3.157 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](CCSC(C)(C)C)CC1 ZINC000860029658 621357263 /nfs/dbraw/zinc/35/72/63/621357263.db2.gz PTQKUYHFJSKWKT-UHFFFAOYSA-N 2 2 314.539 3.095 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C2CC2)c1 ZINC000753861372 621469172 /nfs/dbraw/zinc/46/91/72/621469172.db2.gz ZYBZANJEQYANAO-OXJNMPFZSA-N 2 2 316.489 3.480 20 0 DGADLP COc1cccc(C[C@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C2CC2)c1 ZINC000753861371 621469267 /nfs/dbraw/zinc/46/92/67/621469267.db2.gz ZYBZANJEQYANAO-JXFKEZNVSA-N 2 2 316.489 3.480 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C2 ZINC000756029479 621610729 /nfs/dbraw/zinc/61/07/29/621610729.db2.gz DBGSUNTXASBZMS-RDJZCZTQSA-N 2 2 302.462 3.017 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000863569663 621684462 /nfs/dbraw/zinc/68/44/62/621684462.db2.gz XQOOBCIPQXDDHZ-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000863569663 621684464 /nfs/dbraw/zinc/68/44/64/621684464.db2.gz XQOOBCIPQXDDHZ-CQSZACIVSA-N 2 2 302.393 3.184 20 0 DGADLP O[C@@H](CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000839532854 621689065 /nfs/dbraw/zinc/68/90/65/621689065.db2.gz XHPQPGAIKHJRPO-SFHVURJKSA-N 2 2 311.429 3.082 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000758488993 621784647 /nfs/dbraw/zinc/78/46/47/621784647.db2.gz YXTXCKYNYPICKM-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C(C)(C)C ZINC000865412091 621913740 /nfs/dbraw/zinc/91/37/40/621913740.db2.gz JDPYXFDEZSILBC-CQSZACIVSA-N 2 2 301.434 3.368 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cnc12 ZINC000865620538 621963899 /nfs/dbraw/zinc/96/38/99/621963899.db2.gz YVWLORPAVMEVCA-ROUUACIJSA-N 2 2 313.420 3.480 20 0 DGADLP Fc1cccc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cnc12 ZINC000865620538 621963903 /nfs/dbraw/zinc/96/39/03/621963903.db2.gz YVWLORPAVMEVCA-ROUUACIJSA-N 2 2 313.420 3.480 20 0 DGADLP CCc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000760865052 621969422 /nfs/dbraw/zinc/96/94/22/621969422.db2.gz SWSKPTHBBGMAJQ-IBGZPJMESA-N 2 2 315.505 3.245 20 0 DGADLP CCc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000760865052 621969423 /nfs/dbraw/zinc/96/94/23/621969423.db2.gz SWSKPTHBBGMAJQ-IBGZPJMESA-N 2 2 315.505 3.245 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838274 622005119 /nfs/dbraw/zinc/00/51/19/622005119.db2.gz SNUDHQZMGFUTCV-AEFFLSMTSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838274 622005122 /nfs/dbraw/zinc/00/51/22/622005122.db2.gz SNUDHQZMGFUTCV-AEFFLSMTSA-N 2 2 324.472 3.268 20 0 DGADLP C[NH+](C)C1(C)CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000866148786 622055373 /nfs/dbraw/zinc/05/53/73/622055373.db2.gz TXUGIBMPQHPFJF-UHFFFAOYSA-N 2 2 317.481 3.142 20 0 DGADLP C[NH+](C)C1(C)CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000866148786 622055375 /nfs/dbraw/zinc/05/53/75/622055375.db2.gz TXUGIBMPQHPFJF-UHFFFAOYSA-N 2 2 317.481 3.142 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866206246 622066065 /nfs/dbraw/zinc/06/60/65/622066065.db2.gz CSZIOVZAVMVIBZ-GOEBONIOSA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866206246 622066069 /nfs/dbraw/zinc/06/60/69/622066069.db2.gz CSZIOVZAVMVIBZ-GOEBONIOSA-N 2 2 311.429 3.082 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000866240096 622074062 /nfs/dbraw/zinc/07/40/62/622074062.db2.gz XNMIJFSFKJUHDU-YWZLYKJASA-N 2 2 311.473 3.486 20 0 DGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000762433368 622075344 /nfs/dbraw/zinc/07/53/44/622075344.db2.gz YGEQPCREEQKGCR-CQSZACIVSA-N 2 2 323.868 3.133 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866483607 622125449 /nfs/dbraw/zinc/12/54/49/622125449.db2.gz KHHPZQRTTGKMBT-HOCLYGCPSA-N 2 2 318.461 3.214 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866483607 622125451 /nfs/dbraw/zinc/12/54/51/622125451.db2.gz KHHPZQRTTGKMBT-HOCLYGCPSA-N 2 2 318.461 3.214 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000866706842 622158440 /nfs/dbraw/zinc/15/84/40/622158440.db2.gz FIOQXVRDZOFMLJ-OAHLLOKOSA-N 2 2 315.383 3.297 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000866706842 622158441 /nfs/dbraw/zinc/15/84/41/622158441.db2.gz FIOQXVRDZOFMLJ-OAHLLOKOSA-N 2 2 315.383 3.297 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705239 622158685 /nfs/dbraw/zinc/15/86/85/622158685.db2.gz VZPQPJHTLCKTBH-GUYCJALGSA-N 2 2 308.470 3.170 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705239 622158689 /nfs/dbraw/zinc/15/86/89/622158689.db2.gz VZPQPJHTLCKTBH-GUYCJALGSA-N 2 2 308.470 3.170 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000765255174 622254384 /nfs/dbraw/zinc/25/43/84/622254384.db2.gz PTVUSUHZXDZMRL-GOEBONIOSA-N 2 2 303.454 3.426 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@H](C)C1 ZINC000765453041 622265846 /nfs/dbraw/zinc/26/58/46/622265846.db2.gz JJPAWMAIYACFNR-YLJYHZDGSA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@H](C)C1 ZINC000765453041 622265849 /nfs/dbraw/zinc/26/58/49/622265849.db2.gz JJPAWMAIYACFNR-YLJYHZDGSA-N 3 2 321.553 3.351 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCC1 ZINC000122330967 622297338 /nfs/dbraw/zinc/29/73/38/622297338.db2.gz XHBHVJDYZYCKNB-HNNXBMFYSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCC1 ZINC000122331166 622297387 /nfs/dbraw/zinc/29/73/87/622297387.db2.gz XHBHVJDYZYCKNB-OAHLLOKOSA-N 2 2 301.478 3.500 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]n1 ZINC000766001504 622299437 /nfs/dbraw/zinc/29/94/37/622299437.db2.gz IPFORRYPEOFHFQ-CRAIPNDOSA-N 2 2 312.461 3.115 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]n1 ZINC000766001504 622299438 /nfs/dbraw/zinc/29/94/38/622299438.db2.gz IPFORRYPEOFHFQ-CRAIPNDOSA-N 2 2 312.461 3.115 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122756 622307759 /nfs/dbraw/zinc/30/77/59/622307759.db2.gz ODCNZQKXOBUKMZ-CHWSQXEVSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122756 622307761 /nfs/dbraw/zinc/30/77/61/622307761.db2.gz ODCNZQKXOBUKMZ-CHWSQXEVSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122756 622307764 /nfs/dbraw/zinc/30/77/64/622307764.db2.gz ODCNZQKXOBUKMZ-CHWSQXEVSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@H]21 ZINC000766122756 622307766 /nfs/dbraw/zinc/30/77/66/622307766.db2.gz ODCNZQKXOBUKMZ-CHWSQXEVSA-N 2 2 314.260 3.305 20 0 DGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCO2 ZINC000766438613 622330034 /nfs/dbraw/zinc/33/00/34/622330034.db2.gz OJELWVMWZDXJQJ-WMZOPIPTSA-N 2 2 320.502 3.100 20 0 DGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102291 622438460 /nfs/dbraw/zinc/43/84/60/622438460.db2.gz MQOFDFXGYCAHCS-QAPCUYQASA-N 2 2 302.462 3.394 20 0 DGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000768102291 622438462 /nfs/dbraw/zinc/43/84/62/622438462.db2.gz MQOFDFXGYCAHCS-QAPCUYQASA-N 2 2 302.462 3.394 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874824 622571013 /nfs/dbraw/zinc/57/10/13/622571013.db2.gz MMXDIFIMADNSDI-BEFAXECRSA-N 2 2 314.473 3.463 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000769874824 622571016 /nfs/dbraw/zinc/57/10/16/622571016.db2.gz MMXDIFIMADNSDI-BEFAXECRSA-N 2 2 314.473 3.463 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086990 622797533 /nfs/dbraw/zinc/79/75/33/622797533.db2.gz DFUNSAJJSIYPAP-DZGCQCFKSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)ccc1F ZINC000872086990 622797536 /nfs/dbraw/zinc/79/75/36/622797536.db2.gz DFUNSAJJSIYPAP-DZGCQCFKSA-N 2 2 306.425 3.304 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@@H+]1C ZINC000872117633 622817570 /nfs/dbraw/zinc/81/75/70/622817570.db2.gz UQUADOZMVOGXGO-MWLCHTKSSA-N 2 2 321.774 3.326 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@H+]1C ZINC000872117633 622817575 /nfs/dbraw/zinc/81/75/75/622817575.db2.gz UQUADOZMVOGXGO-MWLCHTKSSA-N 2 2 321.774 3.326 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149250 622833002 /nfs/dbraw/zinc/83/30/02/622833002.db2.gz MYCQADSDIIDTKU-UONOGXRCSA-N 2 2 316.367 3.043 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149250 622833012 /nfs/dbraw/zinc/83/30/12/622833012.db2.gz MYCQADSDIIDTKU-UONOGXRCSA-N 2 2 316.367 3.043 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147853 622833339 /nfs/dbraw/zinc/83/33/39/622833339.db2.gz FPAPAEPPWAVLKE-GAJTVXKRSA-N 2 2 322.321 3.485 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147853 622833341 /nfs/dbraw/zinc/83/33/41/622833341.db2.gz FPAPAEPPWAVLKE-GAJTVXKRSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C(F)(F)F ZINC000873227083 623081255 /nfs/dbraw/zinc/08/12/55/623081255.db2.gz GOSAYHDIEOEGKY-GXFFZTMASA-N 2 2 316.298 3.141 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C(F)(F)F ZINC000873227083 623081260 /nfs/dbraw/zinc/08/12/60/623081260.db2.gz GOSAYHDIEOEGKY-GXFFZTMASA-N 2 2 316.298 3.141 20 0 DGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440277 623274942 /nfs/dbraw/zinc/27/49/42/623274942.db2.gz KUPUYZSQRFSXNL-FXAWDEMLSA-N 2 2 316.489 3.476 20 0 DGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440277 623274945 /nfs/dbraw/zinc/27/49/45/623274945.db2.gz KUPUYZSQRFSXNL-FXAWDEMLSA-N 2 2 316.489 3.476 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccccc1 ZINC000778172416 623619682 /nfs/dbraw/zinc/61/96/82/623619682.db2.gz JURBXYBIDPHDJY-MRXNPFEDSA-N 2 2 310.376 3.028 20 0 DGADLP Fc1cccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cnc12 ZINC000876651404 623670471 /nfs/dbraw/zinc/67/04/71/623670471.db2.gz VGXLGASJQDXXLU-UHFFFAOYSA-N 2 2 310.376 3.408 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@@H+]1C ZINC000876765537 623700989 /nfs/dbraw/zinc/70/09/89/623700989.db2.gz SSHJSAIFPARTFY-CZUORRHYSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@H+]1C ZINC000876765537 623700991 /nfs/dbraw/zinc/70/09/91/623700991.db2.gz SSHJSAIFPARTFY-CZUORRHYSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765537 623700995 /nfs/dbraw/zinc/70/09/95/623700995.db2.gz SSHJSAIFPARTFY-CZUORRHYSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765537 623700999 /nfs/dbraw/zinc/70/09/99/623700999.db2.gz SSHJSAIFPARTFY-CZUORRHYSA-N 2 2 301.409 3.288 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCO2 ZINC000779065258 623726815 /nfs/dbraw/zinc/72/68/15/623726815.db2.gz MCDXRRWGWVRTRQ-SJORKVTESA-N 2 2 311.429 3.264 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000876927344 623745788 /nfs/dbraw/zinc/74/57/88/623745788.db2.gz ZJMQCMPCFFXUTJ-SXGZJXTBSA-N 2 2 304.415 3.173 20 0 DGADLP Fc1cc(C[NH2+]C[C@H]2CC2(Cl)Cl)ccc1-n1cc[nH+]c1 ZINC000876970216 623757454 /nfs/dbraw/zinc/75/74/54/623757454.db2.gz LQFSVQCEJOYTFA-LLVKDONJSA-N 2 2 314.191 3.295 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000876988816 623760523 /nfs/dbraw/zinc/76/05/23/623760523.db2.gz MYNGMLBQXYNKFR-ZOCZFRKYSA-N 2 2 318.442 3.419 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000877024444 623768403 /nfs/dbraw/zinc/76/84/03/623768403.db2.gz DWUPTDZPVLRDID-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000877024444 623768406 /nfs/dbraw/zinc/76/84/06/623768406.db2.gz DWUPTDZPVLRDID-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)nn1)[N@H+](C)Cc1ccccc1 ZINC000877080270 623786656 /nfs/dbraw/zinc/78/66/56/623786656.db2.gz PFGFUCNFIKZUNV-AWEZNQCLSA-N 2 2 318.852 3.130 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)nn1)[N@@H+](C)Cc1ccccc1 ZINC000877080270 623786659 /nfs/dbraw/zinc/78/66/59/623786659.db2.gz PFGFUCNFIKZUNV-AWEZNQCLSA-N 2 2 318.852 3.130 20 0 DGADLP Cc1cc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)nc(N)[nH+]1 ZINC000779917921 623832777 /nfs/dbraw/zinc/83/27/77/623832777.db2.gz UBXKRBCBJRKZKG-ZDUSSCGKSA-N 2 2 312.421 3.193 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)cncc1Cl ZINC000877528426 623925771 /nfs/dbraw/zinc/92/57/71/623925771.db2.gz ZXZVNOCCTXWIQC-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Cl)cncc1Cl ZINC000877528426 623925775 /nfs/dbraw/zinc/92/57/75/623925775.db2.gz ZXZVNOCCTXWIQC-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530976 623927504 /nfs/dbraw/zinc/92/75/04/623927504.db2.gz HETGYNYEBFREMX-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530976 623927511 /nfs/dbraw/zinc/92/75/11/623927511.db2.gz HETGYNYEBFREMX-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530976 623927516 /nfs/dbraw/zinc/92/75/16/623927516.db2.gz HETGYNYEBFREMX-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc3c(F)cccc3c2)C1 ZINC000877530976 623927525 /nfs/dbraw/zinc/92/75/25/623927525.db2.gz HETGYNYEBFREMX-AEFFLSMTSA-N 2 2 313.420 3.290 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000877619410 623964654 /nfs/dbraw/zinc/96/46/54/623964654.db2.gz YIUKJHCHHXWSLJ-IWLLQYOYSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000877619410 623964662 /nfs/dbraw/zinc/96/46/62/623964662.db2.gz YIUKJHCHHXWSLJ-IWLLQYOYSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000877619497 623964733 /nfs/dbraw/zinc/96/47/33/623964733.db2.gz AWLCBFQFRIZTBA-YRVVQQKDSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000877619497 623964739 /nfs/dbraw/zinc/96/47/39/623964739.db2.gz AWLCBFQFRIZTBA-YRVVQQKDSA-N 2 2 304.415 3.172 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)[C@H]3CCCOC3)cc2)CC1 ZINC000780738682 623976380 /nfs/dbraw/zinc/97/63/80/623976380.db2.gz FUDRACBTVZOICU-SJORKVTESA-N 2 2 317.477 3.056 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741341 624014247 /nfs/dbraw/zinc/01/42/47/624014247.db2.gz APNQTVSARLIKLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741341 624014250 /nfs/dbraw/zinc/01/42/50/624014250.db2.gz APNQTVSARLIKLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741341 624014252 /nfs/dbraw/zinc/01/42/52/624014252.db2.gz APNQTVSARLIKLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CC[C@H]21 ZINC000877741341 624014254 /nfs/dbraw/zinc/01/42/54/624014254.db2.gz APNQTVSARLIKLF-RHSMWYFYSA-N 2 2 315.848 3.414 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000877743565 624016613 /nfs/dbraw/zinc/01/66/13/624016613.db2.gz LCYKRJVTXRQNPD-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OC ZINC000877743565 624016615 /nfs/dbraw/zinc/01/66/15/624016615.db2.gz LCYKRJVTXRQNPD-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1OC ZINC000877743565 624016616 /nfs/dbraw/zinc/01/66/16/624016616.db2.gz LCYKRJVTXRQNPD-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1OC ZINC000877743565 624016618 /nfs/dbraw/zinc/01/66/18/624016618.db2.gz LCYKRJVTXRQNPD-SJORKVTESA-N 2 2 318.461 3.010 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743549 624016637 /nfs/dbraw/zinc/01/66/37/624016637.db2.gz LAIXQOPUGHOKNL-WBVHZDCISA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743549 624016638 /nfs/dbraw/zinc/01/66/38/624016638.db2.gz LAIXQOPUGHOKNL-WBVHZDCISA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743549 624016640 /nfs/dbraw/zinc/01/66/40/624016640.db2.gz LAIXQOPUGHOKNL-WBVHZDCISA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000877743549 624016641 /nfs/dbraw/zinc/01/66/41/624016641.db2.gz LAIXQOPUGHOKNL-WBVHZDCISA-N 2 2 313.470 3.336 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743545 624017162 /nfs/dbraw/zinc/01/71/62/624017162.db2.gz LAIXQOPUGHOKNL-NVXWUHKLSA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743545 624017166 /nfs/dbraw/zinc/01/71/66/624017166.db2.gz LAIXQOPUGHOKNL-NVXWUHKLSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743545 624017168 /nfs/dbraw/zinc/01/71/68/624017168.db2.gz LAIXQOPUGHOKNL-NVXWUHKLSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CC[C@H]21 ZINC000877743545 624017173 /nfs/dbraw/zinc/01/71/73/624017173.db2.gz LAIXQOPUGHOKNL-NVXWUHKLSA-N 2 2 313.470 3.336 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794642 624036439 /nfs/dbraw/zinc/03/64/39/624036439.db2.gz NYXFCPQNPBVWDP-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP Cc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1C ZINC000781904186 624168125 /nfs/dbraw/zinc/16/81/25/624168125.db2.gz OVXINRMOGTXUJA-UHFFFAOYSA-N 2 2 315.505 3.301 20 0 DGADLP c1cn(C2CC[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC2)c[nH+]1 ZINC000878172888 624201982 /nfs/dbraw/zinc/20/19/82/624201982.db2.gz NUQGWKQOQMYCFD-RBUKOAKNSA-N 2 2 311.429 3.440 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878523073 624297792 /nfs/dbraw/zinc/29/77/92/624297792.db2.gz WNEYWWUZBINCCS-QGZVFWFLSA-N 2 2 316.445 3.335 20 0 DGADLP OC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000783032043 624302028 /nfs/dbraw/zinc/30/20/28/624302028.db2.gz YAUFUKAYRQCJNN-UHFFFAOYSA-N 2 2 305.466 3.071 20 0 DGADLP C[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000783241218 624329134 /nfs/dbraw/zinc/32/91/34/624329134.db2.gz RVDYYGKRRNLMOS-YJBOKZPZSA-N 2 2 321.896 3.240 20 0 DGADLP CCSCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783575404 624368525 /nfs/dbraw/zinc/36/85/25/624368525.db2.gz VQRKJVBASCCHFE-UHFFFAOYSA-N 2 2 321.534 3.454 20 0 DGADLP C[C@@H]1SCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783638271 624378227 /nfs/dbraw/zinc/37/82/27/624378227.db2.gz BCBZTARBMYOKRB-KBXCAEBGSA-N 2 2 319.518 3.205 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)on2)cc1 ZINC000879568843 624594818 /nfs/dbraw/zinc/59/48/18/624594818.db2.gz DHFAZBYAEIOZRR-VQIMIIECSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)on2)cc1 ZINC000879568843 624594820 /nfs/dbraw/zinc/59/48/20/624594820.db2.gz DHFAZBYAEIOZRR-VQIMIIECSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568843 624594825 /nfs/dbraw/zinc/59/48/25/624594825.db2.gz DHFAZBYAEIOZRR-VQIMIIECSA-N 2 2 311.429 3.176 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)on2)cc1 ZINC000879568843 624594829 /nfs/dbraw/zinc/59/48/29/624594829.db2.gz DHFAZBYAEIOZRR-VQIMIIECSA-N 2 2 311.429 3.176 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573815 624596495 /nfs/dbraw/zinc/59/64/95/624596495.db2.gz SBFGPYSWLDMITM-APWZRJJASA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573815 624596498 /nfs/dbraw/zinc/59/64/98/624596498.db2.gz SBFGPYSWLDMITM-APWZRJJASA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573815 624596501 /nfs/dbraw/zinc/59/65/01/624596501.db2.gz SBFGPYSWLDMITM-APWZRJJASA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CC[C@@H]21 ZINC000879573815 624596506 /nfs/dbraw/zinc/59/65/06/624596506.db2.gz SBFGPYSWLDMITM-APWZRJJASA-N 2 2 323.440 3.400 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3scnc3C3CC3)cc2)c[nH+]1 ZINC000785438137 624666204 /nfs/dbraw/zinc/66/62/04/624666204.db2.gz CYBKNUFURCDQBU-UHFFFAOYSA-N 2 2 310.426 3.496 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133758 624801272 /nfs/dbraw/zinc/80/12/72/624801272.db2.gz QAICLICCFWNEIM-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133758 624801276 /nfs/dbraw/zinc/80/12/76/624801276.db2.gz QAICLICCFWNEIM-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000880133758 624801281 /nfs/dbraw/zinc/80/12/81/624801281.db2.gz QAICLICCFWNEIM-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000880133758 624801287 /nfs/dbraw/zinc/80/12/87/624801287.db2.gz QAICLICCFWNEIM-IRXDYDNUSA-N 2 2 308.853 3.277 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2)n1 ZINC000880137276 624801934 /nfs/dbraw/zinc/80/19/34/624801934.db2.gz AXNRBVWIAYEXLG-UXHICEINSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2)n1 ZINC000880137276 624801937 /nfs/dbraw/zinc/80/19/37/624801937.db2.gz AXNRBVWIAYEXLG-UXHICEINSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H]3CCC[NH+]4C)cc2)n1 ZINC000880137276 624801944 /nfs/dbraw/zinc/80/19/44/624801944.db2.gz AXNRBVWIAYEXLG-UXHICEINSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H]3CCC[NH+]4C)cc2)n1 ZINC000880137276 624801950 /nfs/dbraw/zinc/80/19/50/624801950.db2.gz AXNRBVWIAYEXLG-UXHICEINSA-N 2 2 324.472 3.158 20 0 DGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142448 624806525 /nfs/dbraw/zinc/80/65/25/624806525.db2.gz OLIRHQKIWVGUDG-UFYCRDLUSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142448 624806526 /nfs/dbraw/zinc/80/65/26/624806526.db2.gz OLIRHQKIWVGUDG-UFYCRDLUSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142448 624806528 /nfs/dbraw/zinc/80/65/28/624806528.db2.gz OLIRHQKIWVGUDG-UFYCRDLUSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142448 624806530 /nfs/dbraw/zinc/80/65/30/624806530.db2.gz OLIRHQKIWVGUDG-UFYCRDLUSA-N 2 2 310.441 3.042 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208516 624842655 /nfs/dbraw/zinc/84/26/55/624842655.db2.gz IDWTZBPQVSKBBU-APWZRJJASA-N 2 2 302.462 3.023 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccccc1 ZINC000880208516 624842664 /nfs/dbraw/zinc/84/26/64/624842664.db2.gz IDWTZBPQVSKBBU-APWZRJJASA-N 2 2 302.462 3.023 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207017 624842751 /nfs/dbraw/zinc/84/27/51/624842751.db2.gz PJTITWBQJHXDGL-IHPCNDPISA-N 2 2 314.473 3.023 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880207017 624842757 /nfs/dbraw/zinc/84/27/57/624842757.db2.gz PJTITWBQJHXDGL-IHPCNDPISA-N 2 2 314.473 3.023 20 0 DGADLP CCC1([NH+]2CCCCC2)CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000880254536 624871624 /nfs/dbraw/zinc/87/16/24/624871624.db2.gz FZXBQPXQLLABMO-UHFFFAOYSA-N 2 2 304.482 3.257 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000880254729 624871712 /nfs/dbraw/zinc/87/17/12/624871712.db2.gz MDFPVBHXNYUABE-OAHLLOKOSA-N 2 2 316.436 3.141 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000880256654 624873359 /nfs/dbraw/zinc/87/33/59/624873359.db2.gz LTTMBLWTYQUNIB-UHFFFAOYSA-N 2 2 318.509 3.267 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568809 624979157 /nfs/dbraw/zinc/97/91/57/624979157.db2.gz DBSWFAXAHWUOBR-IBGZPJMESA-N 3 2 323.444 3.199 20 0 DGADLP c1cn(C[C@@H]([NH2+]C[C@H]2CC3(CCC3)CO2)c2ccccc2)c[nH+]1 ZINC000880569702 624979324 /nfs/dbraw/zinc/97/93/24/624979324.db2.gz IFOKHULDTHUIMG-QZTJIDSGSA-N 2 2 311.429 3.173 20 0 DGADLP CN(C)c1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572220 624980055 /nfs/dbraw/zinc/98/00/55/624980055.db2.gz YNKIRZAPRAEJGK-IBGZPJMESA-N 2 2 320.440 3.480 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CCCn2cc[nH+]c2)c1C ZINC000882878939 625842419 /nfs/dbraw/zinc/84/24/19/625842419.db2.gz ZKKYKSNAIJTCAH-UHFFFAOYSA-N 2 2 301.434 3.135 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194171 625965673 /nfs/dbraw/zinc/96/56/73/625965673.db2.gz PJABCDOXCJOCGQ-HNAYVOBHSA-N 2 2 320.452 3.225 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194171 625965678 /nfs/dbraw/zinc/96/56/78/625965678.db2.gz PJABCDOXCJOCGQ-HNAYVOBHSA-N 2 2 320.452 3.225 20 0 DGADLP O[C@@H](C[N@@H+](Cc1ccccc1Cl)CC1CC1)C[NH+]1CCCC1 ZINC000796262411 626033383 /nfs/dbraw/zinc/03/33/83/626033383.db2.gz XKOQZPUNSDOHGD-QGZVFWFLSA-N 2 2 322.880 3.009 20 0 DGADLP O[C@@H](C[N@H+](Cc1ccccc1Cl)CC1CC1)C[NH+]1CCCC1 ZINC000796262411 626033384 /nfs/dbraw/zinc/03/33/84/626033384.db2.gz XKOQZPUNSDOHGD-QGZVFWFLSA-N 2 2 322.880 3.009 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1SC(C)(C)C ZINC000798184202 626200549 /nfs/dbraw/zinc/20/05/49/626200549.db2.gz RQYJABDFATYZBZ-ZIAGYGMSSA-N 2 2 310.507 3.150 20 0 DGADLP Cc1[nH+]ccc(N2CCC([N@H+](C)CC(F)F)CC2)c1Cl ZINC000798393179 626214542 /nfs/dbraw/zinc/21/45/42/626214542.db2.gz LMHLPJRRRFMBTP-UHFFFAOYSA-N 2 2 303.784 3.209 20 0 DGADLP Cc1[nH+]ccc(N2CCC([N@@H+](C)CC(F)F)CC2)c1Cl ZINC000798393179 626214546 /nfs/dbraw/zinc/21/45/46/626214546.db2.gz LMHLPJRRRFMBTP-UHFFFAOYSA-N 2 2 303.784 3.209 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000799725851 626324838 /nfs/dbraw/zinc/32/48/38/626324838.db2.gz KEGFSLROVVEOQZ-MSOLQXFVSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883378685 626666927 /nfs/dbraw/zinc/66/69/27/626666927.db2.gz UYTQKAGSSBMWBW-OAHLLOKOSA-N 2 2 311.429 3.482 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387180 626668735 /nfs/dbraw/zinc/66/87/35/626668735.db2.gz SOOOELJFIBAQLZ-MSOLQXFVSA-N 2 2 301.434 3.275 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883387188 626668763 /nfs/dbraw/zinc/66/87/63/626668763.db2.gz SRKUJYWOIXLIKY-KXBFYZLASA-N 2 2 321.428 3.382 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@H]2CCCSCC2)c2ccccc2)c[nH+]1 ZINC000883388032 626669408 /nfs/dbraw/zinc/66/94/08/626669408.db2.gz KSJLKCTZSAVBGI-DLBZAZTESA-N 2 2 301.459 3.500 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387668 626669735 /nfs/dbraw/zinc/66/97/35/626669735.db2.gz BUKYUGQMOJWXIK-ROUUACIJSA-N 2 2 312.461 3.087 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1(C)C ZINC000883387668 626669737 /nfs/dbraw/zinc/66/97/37/626669737.db2.gz BUKYUGQMOJWXIK-ROUUACIJSA-N 2 2 312.461 3.087 20 0 DGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCOC1 ZINC000883389414 626670240 /nfs/dbraw/zinc/67/02/40/626670240.db2.gz PXWNVGZXSDJGKZ-QYZOEREBSA-N 2 2 313.445 3.419 20 0 DGADLP CCc1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883397514 626672465 /nfs/dbraw/zinc/67/24/65/626672465.db2.gz ONDJJNVXNDBXOL-INIZCTEOSA-N 2 2 312.442 3.433 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883397773 626672673 /nfs/dbraw/zinc/67/26/73/626672673.db2.gz VILABXNXNMAVGY-QXAKKESOSA-N 2 2 313.445 3.419 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000808442996 626824907 /nfs/dbraw/zinc/82/49/07/626824907.db2.gz QRIZTMRHGGWWNS-DNVCBOLYSA-N 2 2 307.397 3.084 20 0 DGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@H](O)c1ccccc1 ZINC000808446906 626825504 /nfs/dbraw/zinc/82/55/04/626825504.db2.gz XLBJEPJWHIIUTC-GUYCJALGSA-N 2 2 313.426 3.146 20 0 DGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](O)c1ccccc1 ZINC000808446908 626825589 /nfs/dbraw/zinc/82/55/89/626825589.db2.gz XLBJEPJWHIIUTC-SUMWQHHRSA-N 2 2 313.426 3.146 20 0 DGADLP O[C@@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000809748516 626945909 /nfs/dbraw/zinc/94/59/09/626945909.db2.gz UFRNCLZREBFYTF-KRWDZBQOSA-N 2 2 313.426 3.147 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1occc1Br ZINC000809753052 626946798 /nfs/dbraw/zinc/94/67/98/626946798.db2.gz MJSQONAITBRJMY-UHFFFAOYSA-N 2 2 312.211 3.069 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1occc1Br ZINC000809753052 626946799 /nfs/dbraw/zinc/94/67/99/626946799.db2.gz MJSQONAITBRJMY-UHFFFAOYSA-N 2 2 312.211 3.069 20 0 DGADLP CCCCn1nc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)c1Cl ZINC000809753461 626946874 /nfs/dbraw/zinc/94/68/74/626946874.db2.gz SNRGRRDNGPGBAB-UHFFFAOYSA-N 2 2 323.872 3.364 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1Cl ZINC000809753461 626946877 /nfs/dbraw/zinc/94/68/77/626946877.db2.gz SNRGRRDNGPGBAB-UHFFFAOYSA-N 2 2 323.872 3.364 20 0 DGADLP COc1cccc2cc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)oc21 ZINC000809756669 626947092 /nfs/dbraw/zinc/94/70/92/626947092.db2.gz ICJHSXWQIYHBSW-AWEZNQCLSA-N 2 2 311.385 3.164 20 0 DGADLP COc1cccc2cc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)oc21 ZINC000809756669 626947094 /nfs/dbraw/zinc/94/70/94/626947094.db2.gz ICJHSXWQIYHBSW-AWEZNQCLSA-N 2 2 311.385 3.164 20 0 DGADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810171345 626984335 /nfs/dbraw/zinc/98/43/35/626984335.db2.gz IJQBLEAIBQTIRJ-CYBMUJFWSA-N 2 2 320.234 3.128 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1O ZINC000810211483 626988440 /nfs/dbraw/zinc/98/84/40/626988440.db2.gz RXRBJKWEXPWUMG-SUMWQHHRSA-N 2 2 317.433 3.363 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885903022 627057803 /nfs/dbraw/zinc/05/78/03/627057803.db2.gz FWQNTWAVPBEJNS-UHFFFAOYSA-N 2 2 312.404 3.293 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)c1OC ZINC000885969332 627072990 /nfs/dbraw/zinc/07/29/90/627072990.db2.gz ORCYAEQBOWAIJV-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1OC ZINC000885969332 627072991 /nfs/dbraw/zinc/07/29/91/627072991.db2.gz ORCYAEQBOWAIJV-AWEZNQCLSA-N 2 2 324.440 3.053 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000885999881 627079950 /nfs/dbraw/zinc/07/99/50/627079950.db2.gz OZNBNIBGZPTVGC-RTBURBONSA-N 2 2 316.489 3.023 20 0 DGADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000886594270 627169488 /nfs/dbraw/zinc/16/94/88/627169488.db2.gz JAAHIBLNOYSKKT-SUMWQHHRSA-N 2 2 324.403 3.486 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cn4ccccc4n3)CC2)[nH+]c1C ZINC000886667828 627184687 /nfs/dbraw/zinc/18/46/87/627184687.db2.gz ITDVJOYIJRZSBJ-UHFFFAOYSA-N 2 2 309.417 3.054 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC000886707290 627195676 /nfs/dbraw/zinc/19/56/76/627195676.db2.gz DBXAXVCPGLNMLB-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC000813780871 627511209 /nfs/dbraw/zinc/51/12/09/627511209.db2.gz JPQOYTHUFWMMPH-UHFFFAOYSA-N 2 2 323.431 3.356 20 0 DGADLP Cn1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000813789303 627511679 /nfs/dbraw/zinc/51/16/79/627511679.db2.gz OTFPBHNAEKELSJ-IHWFROFDSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000813789303 627511680 /nfs/dbraw/zinc/51/16/80/627511680.db2.gz OTFPBHNAEKELSJ-IHWFROFDSA-N 2 2 324.472 3.095 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H]1C ZINC000813857607 627516150 /nfs/dbraw/zinc/51/61/50/627516150.db2.gz KEJHVWVHIBZHMD-SPYBWZPUSA-N 2 2 301.478 3.356 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000814294006 627557309 /nfs/dbraw/zinc/55/73/09/627557309.db2.gz HGDXLRASNITGBZ-VZVUQDNOSA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000814294006 627557312 /nfs/dbraw/zinc/55/73/12/627557312.db2.gz HGDXLRASNITGBZ-VZVUQDNOSA-N 2 2 302.462 3.310 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924576243 627651248 /nfs/dbraw/zinc/65/12/48/627651248.db2.gz AVVJGFAIIIVSMU-HNNXBMFYSA-N 2 2 304.482 3.208 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924588765 627653430 /nfs/dbraw/zinc/65/34/30/627653430.db2.gz HXEODDHLQUFCAA-WOJBJXKFSA-N 2 2 324.472 3.038 20 0 DGADLP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924588765 627653434 /nfs/dbraw/zinc/65/34/34/627653434.db2.gz HXEODDHLQUFCAA-WOJBJXKFSA-N 2 2 324.472 3.038 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924625025 627659517 /nfs/dbraw/zinc/65/95/17/627659517.db2.gz DVFXXTGWPFXHNB-PMACEKPBSA-N 2 2 324.472 3.021 20 0 DGADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924625025 627659519 /nfs/dbraw/zinc/65/95/19/627659519.db2.gz DVFXXTGWPFXHNB-PMACEKPBSA-N 2 2 324.472 3.021 20 0 DGADLP c1c(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)[nH+]c2n1CCCC2 ZINC000924646381 627661991 /nfs/dbraw/zinc/66/19/91/627661991.db2.gz TVQTTXBKYYQXJY-APWZRJJASA-N 2 2 324.472 3.158 20 0 DGADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774770 627678512 /nfs/dbraw/zinc/67/85/12/627678512.db2.gz DMEGVRCQBIBWBJ-MAUKXSAKSA-N 2 2 319.424 3.431 20 0 DGADLP Cc1nonc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000924829868 627684774 /nfs/dbraw/zinc/68/47/74/627684774.db2.gz TXNLZDYZMKNVJW-ZDUSSCGKSA-N 2 2 302.422 3.069 20 0 DGADLP Cc1nonc1[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000924829868 627684777 /nfs/dbraw/zinc/68/47/77/627684777.db2.gz TXNLZDYZMKNVJW-ZDUSSCGKSA-N 2 2 302.422 3.069 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000924907670 627692758 /nfs/dbraw/zinc/69/27/58/627692758.db2.gz OPRUJUAVFCYYMR-CVEARBPZSA-N 2 2 307.507 3.416 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cs1 ZINC000924907670 627692760 /nfs/dbraw/zinc/69/27/60/627692760.db2.gz OPRUJUAVFCYYMR-CVEARBPZSA-N 2 2 307.507 3.416 20 0 DGADLP OCCC[C@H]1CCCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000924926701 627694016 /nfs/dbraw/zinc/69/40/16/627694016.db2.gz MKEWRXHPVMUIAT-SJORKVTESA-N 2 2 305.466 3.195 20 0 DGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000925086691 627707284 /nfs/dbraw/zinc/70/72/84/627707284.db2.gz QBTVOZXTKWRJTG-HOCLYGCPSA-N 2 2 306.498 3.236 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccnnc1 ZINC000925136345 627712414 /nfs/dbraw/zinc/71/24/14/627712414.db2.gz OAYISTBVVIZIJL-LXZKKBNFSA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccnnc1 ZINC000925136345 627712416 /nfs/dbraw/zinc/71/24/16/627712416.db2.gz OAYISTBVVIZIJL-LXZKKBNFSA-N 2 2 316.474 3.272 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925158849 627714622 /nfs/dbraw/zinc/71/46/22/627714622.db2.gz BJCQPXOTVLYZNG-IXDOHACOSA-N 2 2 318.461 3.069 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925158849 627714625 /nfs/dbraw/zinc/71/46/25/627714625.db2.gz BJCQPXOTVLYZNG-IXDOHACOSA-N 2 2 318.461 3.069 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925177676 627716010 /nfs/dbraw/zinc/71/60/10/627716010.db2.gz DGXAWDYGQQSAHC-PBHICJAKSA-N 2 2 322.412 3.155 20 0 DGADLP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CCCNc2cccc[nH+]2)nc1 ZINC000925232262 627722083 /nfs/dbraw/zinc/72/20/83/627722083.db2.gz MAWOKEIOJOFGQQ-SJLPKXTDSA-N 2 2 310.445 3.280 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])Oc1ccccc1F ZINC000925521449 627746534 /nfs/dbraw/zinc/74/65/34/627746534.db2.gz CKDGSHQIEIJJRK-QWQRMKEZSA-N 2 2 302.393 3.271 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC(C)C ZINC000925537750 627750142 /nfs/dbraw/zinc/75/01/42/627750142.db2.gz MGFHEORVMWITGW-KSSFIOAISA-N 2 2 318.461 3.418 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1ccccc1 ZINC000925552043 627752701 /nfs/dbraw/zinc/75/27/01/627752701.db2.gz FZLOZOJENFDGAD-FIYPYCPBSA-N 2 2 312.457 3.219 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1C(F)(F)F ZINC000925571432 627756962 /nfs/dbraw/zinc/75/69/62/627756962.db2.gz HTMVLNFZWJNQSV-JYMBTIDVSA-N 2 2 310.363 3.352 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587921 627759496 /nfs/dbraw/zinc/75/94/96/627759496.db2.gz LIOOJSRNPGGGNK-IRXDYDNUSA-N 2 2 318.509 3.238 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)C1 ZINC000925587921 627759499 /nfs/dbraw/zinc/75/94/99/627759499.db2.gz LIOOJSRNPGGGNK-IRXDYDNUSA-N 2 2 318.509 3.238 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccnnc2)c(C)c1 ZINC000925591682 627759856 /nfs/dbraw/zinc/75/98/56/627759856.db2.gz COFGPINBOLXDJG-LPHOPBHVSA-N 2 2 321.428 3.382 20 0 DGADLP CSC1CC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000925589850 627759995 /nfs/dbraw/zinc/75/99/95/627759995.db2.gz BUNCFAVJVRFIPT-NVPAJSRCSA-N 2 2 305.491 3.091 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccccc1 ZINC000925598906 627760475 /nfs/dbraw/zinc/76/04/75/627760475.db2.gz NGORGZXUSFHUNH-SCLBCKFNSA-N 2 2 315.486 3.243 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c[nH+]1 ZINC000925608550 627762254 /nfs/dbraw/zinc/76/22/54/627762254.db2.gz ZYFHTPNJSKLRQP-RTBURBONSA-N 3 2 324.472 3.130 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c(C)c1 ZINC000925621578 627764236 /nfs/dbraw/zinc/76/42/36/627764236.db2.gz IQVRWSUZRYFYCZ-OTWHNJEPSA-N 3 2 324.472 3.101 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000925623263 627764432 /nfs/dbraw/zinc/76/44/32/627764432.db2.gz RZAPAPRGXOUODE-SNRMKQJTSA-N 2 2 310.441 3.178 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925638810 627767079 /nfs/dbraw/zinc/76/70/79/627767079.db2.gz HCGWHBLEEVZTCN-MOPGFXCFSA-N 2 2 310.441 3.117 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794662 627796846 /nfs/dbraw/zinc/79/68/46/627796846.db2.gz HSOLGZKIDXRGRK-QAPCUYQASA-N 2 2 314.473 3.157 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2ccccn2)c1 ZINC000925814279 627799029 /nfs/dbraw/zinc/79/90/29/627799029.db2.gz JWQMHRNBGKVVFM-PXNSSMCTSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ncc(-c2ccccc2)n1C ZINC000925838874 627803047 /nfs/dbraw/zinc/80/30/47/627803047.db2.gz DLMPRVYSVBAMLI-QKYXUNIQSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926228321 627866331 /nfs/dbraw/zinc/86/63/31/627866331.db2.gz GQGFLMBRTZPYJE-AZUAARDMSA-N 2 2 318.424 3.281 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926405851 627890667 /nfs/dbraw/zinc/89/06/67/627890667.db2.gz GHKPXPZPZMJSFF-WZGPROSRSA-N 2 2 302.462 3.023 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926405851 627890669 /nfs/dbraw/zinc/89/06/69/627890669.db2.gz GHKPXPZPZMJSFF-WZGPROSRSA-N 2 2 302.462 3.023 20 0 DGADLP COCc1nc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cs1 ZINC000926451193 627898376 /nfs/dbraw/zinc/89/83/76/627898376.db2.gz XGZRJZUOWXFIRB-ZDUSSCGKSA-N 2 2 319.474 3.202 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1OCCc2sccc21 ZINC000926475826 627901027 /nfs/dbraw/zinc/90/10/27/627901027.db2.gz GECDZSCALREILC-DNMXQMFDSA-N 2 2 320.502 3.357 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1OCCc2sccc21 ZINC000926475826 627901032 /nfs/dbraw/zinc/90/10/32/627901032.db2.gz GECDZSCALREILC-DNMXQMFDSA-N 2 2 320.502 3.357 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926753168 627946676 /nfs/dbraw/zinc/94/66/76/627946676.db2.gz FQFBZIIDHJIJIC-XJKSGUPXSA-N 2 2 308.853 3.233 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926753168 627946678 /nfs/dbraw/zinc/94/66/78/627946678.db2.gz FQFBZIIDHJIJIC-XJKSGUPXSA-N 2 2 308.853 3.233 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC(C)C ZINC000817899090 627956131 /nfs/dbraw/zinc/95/61/31/627956131.db2.gz CKZXEUAJXZBVFJ-HOCLYGCPSA-N 2 2 306.450 3.103 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817905569 627957805 /nfs/dbraw/zinc/95/78/05/627957805.db2.gz OWBNHHLLGXHKKA-QLFBSQMISA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817906043 627957834 /nfs/dbraw/zinc/95/78/34/627957834.db2.gz SHNFIQDFBHOMAY-LERXQTSPSA-N 2 2 317.260 3.147 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817905567 627958141 /nfs/dbraw/zinc/95/81/41/627958141.db2.gz OWBNHHLLGXHKKA-KKUMJFAQSA-N 2 2 317.260 3.147 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906392 627958939 /nfs/dbraw/zinc/95/89/39/627958939.db2.gz ZLDCGLVCKGXRKY-MELADBBJSA-N 2 2 317.260 3.147 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926811828 627959569 /nfs/dbraw/zinc/95/95/69/627959569.db2.gz IDHYTYIVGUSJJA-TUVASFSCSA-N 2 2 302.384 3.490 20 0 DGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926811828 627959574 /nfs/dbraw/zinc/95/95/74/627959574.db2.gz IDHYTYIVGUSJJA-TUVASFSCSA-N 2 2 302.384 3.490 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926724 627963826 /nfs/dbraw/zinc/96/38/26/627963826.db2.gz SUGDEKJEYOWHRJ-WOPDTQHZSA-N 2 2 301.217 3.286 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000817962562 627976921 /nfs/dbraw/zinc/97/69/21/627976921.db2.gz KHYCHUAJBZLZOC-ZBFHGGJFSA-N 2 2 300.450 3.349 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926942115 627986005 /nfs/dbraw/zinc/98/60/05/627986005.db2.gz MTRKMJLADCQBDJ-RMRDIRSESA-N 2 2 309.413 3.114 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1)C[NH+](C)C ZINC000926960705 627989600 /nfs/dbraw/zinc/98/96/00/627989600.db2.gz GUUMFPXJHYIFSD-DZGCQCFKSA-N 2 2 320.433 3.059 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138752 628024203 /nfs/dbraw/zinc/02/42/03/628024203.db2.gz GGOIXHHJLNLHNT-SLEUVZQESA-N 2 2 308.853 3.408 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138752 628024205 /nfs/dbraw/zinc/02/42/05/628024205.db2.gz GGOIXHHJLNLHNT-SLEUVZQESA-N 2 2 308.853 3.408 20 0 DGADLP CC(C)CC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000828462297 629056414 /nfs/dbraw/zinc/05/64/14/629056414.db2.gz OCOCWQLAUGGMPL-INIZCTEOSA-N 2 2 317.477 3.404 20 0 DGADLP CC(C)CC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000828462297 629056417 /nfs/dbraw/zinc/05/64/17/629056417.db2.gz OCOCWQLAUGGMPL-INIZCTEOSA-N 2 2 317.477 3.404 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028876 629218790 /nfs/dbraw/zinc/21/87/90/629218790.db2.gz UGJWCBVRXUNFME-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028876 629218793 /nfs/dbraw/zinc/21/87/93/629218793.db2.gz UGJWCBVRXUNFME-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028876 629218796 /nfs/dbraw/zinc/21/87/96/629218796.db2.gz UGJWCBVRXUNFME-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC(=O)c3ccccc3)C2)C1 ZINC000830028876 629218799 /nfs/dbraw/zinc/21/87/99/629218799.db2.gz UGJWCBVRXUNFME-IBGZPJMESA-N 2 2 300.446 3.067 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccncc1 ZINC000834523540 629720115 /nfs/dbraw/zinc/72/01/15/629720115.db2.gz XDTGVUQZALKCKP-KRWDZBQOSA-N 2 2 307.401 3.212 20 0 DGADLP CC[N@@H+](c1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1)C(C)C ZINC000840878302 630370675 /nfs/dbraw/zinc/37/06/75/630370675.db2.gz CVJCTMILBLAPGG-UHFFFAOYSA-N 2 2 315.465 3.333 20 0 DGADLP CC[N@H+](c1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1)C(C)C ZINC000840878302 630370679 /nfs/dbraw/zinc/37/06/79/630370679.db2.gz CVJCTMILBLAPGG-UHFFFAOYSA-N 2 2 315.465 3.333 20 0 DGADLP C[NH2+]CCC[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000841043494 630401058 /nfs/dbraw/zinc/40/10/58/630401058.db2.gz WIGCLPFSXSOJLJ-UHFFFAOYSA-N 2 2 320.868 3.348 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000841090064 630406989 /nfs/dbraw/zinc/40/69/89/630406989.db2.gz UZZWFEFROPDVHB-AWEZNQCLSA-N 2 2 324.900 3.409 20 0 DGADLP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000842471915 630538730 /nfs/dbraw/zinc/53/87/30/630538730.db2.gz GVMVDIKXTKJKFO-QGZVFWFLSA-N 2 2 312.404 3.247 20 0 DGADLP [NH3+]CCCCCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000842471915 630538732 /nfs/dbraw/zinc/53/87/32/630538732.db2.gz GVMVDIKXTKJKFO-QGZVFWFLSA-N 2 2 312.404 3.247 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000842681539 630562611 /nfs/dbraw/zinc/56/26/11/630562611.db2.gz ZEZKAXSYMFUDQC-GOSISDBHSA-N 2 2 324.472 3.259 20 0 DGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]n1 ZINC000842681539 630562614 /nfs/dbraw/zinc/56/26/14/630562614.db2.gz ZEZKAXSYMFUDQC-GOSISDBHSA-N 2 2 324.472 3.259 20 0 DGADLP Fc1ccccc1COc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000843046969 630608374 /nfs/dbraw/zinc/60/83/74/630608374.db2.gz AYHRSTUHDNVUGX-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP Fc1ccccc1COc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000843046969 630608378 /nfs/dbraw/zinc/60/83/78/630608378.db2.gz AYHRSTUHDNVUGX-UHFFFAOYSA-N 2 2 314.404 3.200 20 0 DGADLP CC(C)n1ncc2cc(C[N@H+](C)CC(C)(C)C[NH3+])c(Cl)nc21 ZINC000843056287 630609481 /nfs/dbraw/zinc/60/94/81/630609481.db2.gz HILASTBKIKBIAN-UHFFFAOYSA-N 2 2 323.872 3.082 20 0 DGADLP CC(C)n1ncc2cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(Cl)nc21 ZINC000843056287 630609484 /nfs/dbraw/zinc/60/94/84/630609484.db2.gz HILASTBKIKBIAN-UHFFFAOYSA-N 2 2 323.872 3.082 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843058113 630610155 /nfs/dbraw/zinc/61/01/55/630610155.db2.gz PQGJYZNDWKHELB-JSGCOSHPSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843058113 630610156 /nfs/dbraw/zinc/61/01/56/630610156.db2.gz PQGJYZNDWKHELB-JSGCOSHPSA-N 2 2 318.852 3.003 20 0 DGADLP Cn1c(Cl)nc(Cl)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000843123794 630615877 /nfs/dbraw/zinc/61/58/77/630615877.db2.gz POWGCTDHZRPOLX-UHFFFAOYSA-N 2 2 319.280 3.068 20 0 DGADLP Cn1c(Cl)nc(Cl)c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000843123794 630615880 /nfs/dbraw/zinc/61/58/80/630615880.db2.gz POWGCTDHZRPOLX-UHFFFAOYSA-N 2 2 319.280 3.068 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843359617 630649238 /nfs/dbraw/zinc/64/92/38/630649238.db2.gz OJAZOFAZDXAFMV-HUUCEWRRSA-N 2 2 324.900 3.247 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843359617 630649240 /nfs/dbraw/zinc/64/92/40/630649240.db2.gz OJAZOFAZDXAFMV-HUUCEWRRSA-N 2 2 324.900 3.247 20 0 DGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000843355259 630649575 /nfs/dbraw/zinc/64/95/75/630649575.db2.gz OIDULRPUABLKQQ-CQSZACIVSA-N 2 2 313.445 3.084 20 0 DGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843355259 630649577 /nfs/dbraw/zinc/64/95/77/630649577.db2.gz OIDULRPUABLKQQ-CQSZACIVSA-N 2 2 313.445 3.084 20 0 DGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000846217958 631215421 /nfs/dbraw/zinc/21/54/21/631215421.db2.gz KBDZSCPBJOFBFI-INIZCTEOSA-N 2 2 314.832 3.372 20 0 DGADLP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000846217958 631215423 /nfs/dbraw/zinc/21/54/23/631215423.db2.gz KBDZSCPBJOFBFI-INIZCTEOSA-N 2 2 314.832 3.372 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2ccccc2n1 ZINC000848521403 631675743 /nfs/dbraw/zinc/67/57/43/631675743.db2.gz NWKYGNLUDZGZGK-ZBFHGGJFSA-N 2 2 311.433 3.296 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCCn3ccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000848549777 631688168 /nfs/dbraw/zinc/68/81/68/631688168.db2.gz UEQSVXJNSHSDJB-AZUAARDMSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCCn3ccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000848549777 631688173 /nfs/dbraw/zinc/68/81/73/631688173.db2.gz UEQSVXJNSHSDJB-AZUAARDMSA-N 2 2 324.472 3.220 20 0 DGADLP C[N@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000849080387 631829658 /nfs/dbraw/zinc/82/96/58/631829658.db2.gz PPWJPGMPJXPZOW-UHFFFAOYSA-N 2 2 318.371 3.033 20 0 DGADLP C[N@@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000849080387 631829665 /nfs/dbraw/zinc/82/96/65/631829665.db2.gz PPWJPGMPJXPZOW-UHFFFAOYSA-N 2 2 318.371 3.033 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1C ZINC000850303340 632108856 /nfs/dbraw/zinc/10/88/56/632108856.db2.gz TWLRALFZLJFECZ-VQTJNVASSA-N 2 2 321.424 3.293 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@H](OC)C1 ZINC000851791863 632494922 /nfs/dbraw/zinc/49/49/22/632494922.db2.gz FNKRMNQJKIFDTD-MSOLQXFVSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@H](OC)C1 ZINC000851791863 632494924 /nfs/dbraw/zinc/49/49/24/632494924.db2.gz FNKRMNQJKIFDTD-MSOLQXFVSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H](OC)C1 ZINC000851791866 632495071 /nfs/dbraw/zinc/49/50/71/632495071.db2.gz FNKRMNQJKIFDTD-QZTJIDSGSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H](OC)C1 ZINC000851791866 632495073 /nfs/dbraw/zinc/49/50/73/632495073.db2.gz FNKRMNQJKIFDTD-QZTJIDSGSA-N 2 2 317.477 3.187 20 0 DGADLP CCC[NH+]1CCC([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000997688990 660338852 /nfs/dbraw/zinc/33/88/52/660338852.db2.gz MQIJSXZRQZXXEJ-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@@H](OC)C3)cc2)CC1 ZINC000792841804 660988231 /nfs/dbraw/zinc/98/82/31/660988231.db2.gz PCWOFXIGKOXVMH-PKOBYXMFSA-N 2 2 317.477 3.198 20 0 DGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccnc3F)CC2)C1 ZINC000793286671 661021141 /nfs/dbraw/zinc/02/11/41/661021141.db2.gz ZKSIKMSIYVLBMH-WMLDXEAASA-N 2 2 305.441 3.353 20 0 DGADLP C[N@H+](CC(F)F)C1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000795109584 661127471 /nfs/dbraw/zinc/12/74/71/661127471.db2.gz OONSACGAANQMDN-UHFFFAOYSA-N 2 2 321.371 3.106 20 0 DGADLP C[N@@H+](CC(F)F)C1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000795109584 661127472 /nfs/dbraw/zinc/12/74/72/661127472.db2.gz OONSACGAANQMDN-UHFFFAOYSA-N 2 2 321.371 3.106 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000052441105 655816724 /nfs/dbraw/zinc/81/67/24/655816724.db2.gz RNSYNZYVUZPHAM-INIZCTEOSA-N 2 2 321.896 3.114 20 0 DGADLP Fc1cc(Br)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000036668273 661196339 /nfs/dbraw/zinc/19/63/39/661196339.db2.gz GGXOVBIRRCIGDM-UHFFFAOYSA-N 2 2 315.230 3.164 20 0 DGADLP CCCC[N@H+](Cc1cn(CC)nn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034561 656161619 /nfs/dbraw/zinc/16/16/19/656161619.db2.gz TWICTHCSXGKWCC-UHFFFAOYSA-N 2 2 321.513 3.209 20 0 DGADLP CCCC[N@@H+](Cc1cn(CC)nn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034561 656161620 /nfs/dbraw/zinc/16/16/20/656161620.db2.gz TWICTHCSXGKWCC-UHFFFAOYSA-N 2 2 321.513 3.209 20 0 DGADLP CCC[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001026531350 656166374 /nfs/dbraw/zinc/16/63/74/656166374.db2.gz CSIXZXDMYZBGJJ-UHFFFAOYSA-N 2 2 303.450 3.047 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](CCSc3ccccc3F)C[C@]2(C)C1 ZINC000931310556 656202076 /nfs/dbraw/zinc/20/20/76/656202076.db2.gz ZVKIMWPLRBUTKC-IRXDYDNUSA-N 2 2 308.466 3.191 20 0 DGADLP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c(C)cc(C)[nH+]c1C ZINC001039287726 656477426 /nfs/dbraw/zinc/47/74/26/656477426.db2.gz MBTUZFQQJLUQIB-ALOPSCKCSA-N 2 2 315.461 3.142 20 0 DGADLP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001048611944 656523471 /nfs/dbraw/zinc/52/34/71/656523471.db2.gz CXTORICSFXHPGG-QAQDUYKDSA-N 2 2 317.477 3.153 20 0 DGADLP CCOc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1O ZINC000319726631 657163091 /nfs/dbraw/zinc/16/30/91/657163091.db2.gz BNZZQHPGZFOQMG-KRWDZBQOSA-N 2 2 317.433 3.192 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2=CC[N@H+](CC(C)C)CC2)c(C)[nH+]1 ZINC001000984619 657171198 /nfs/dbraw/zinc/17/11/98/657171198.db2.gz KLUSFFMDNKSKOT-UHFFFAOYSA-N 2 2 315.461 3.025 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2=CC[N@@H+](CC(C)C)CC2)c(C)[nH+]1 ZINC001000984619 657171199 /nfs/dbraw/zinc/17/11/99/657171199.db2.gz KLUSFFMDNKSKOT-UHFFFAOYSA-N 2 2 315.461 3.025 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253177178 657659100 /nfs/dbraw/zinc/65/91/00/657659100.db2.gz AUJZHAFBXCCIBY-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253177178 657659106 /nfs/dbraw/zinc/65/91/06/657659106.db2.gz AUJZHAFBXCCIBY-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420407031 658095586 /nfs/dbraw/zinc/09/55/86/658095586.db2.gz RRJBKVBIODQJJK-FQEVSTJZSA-N 2 2 310.441 3.437 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420407031 658095596 /nfs/dbraw/zinc/09/55/96/658095596.db2.gz RRJBKVBIODQJJK-FQEVSTJZSA-N 2 2 310.441 3.437 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171734311 659296270 /nfs/dbraw/zinc/29/62/70/659296270.db2.gz RZBPSNGZUPAOKQ-CQSZACIVSA-N 2 2 315.417 3.082 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1Cl ZINC000062254563 659312104 /nfs/dbraw/zinc/31/21/04/659312104.db2.gz OQCULQHFXOMZEB-ZDUSSCGKSA-N 2 2 323.872 3.267 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000069626825 660010414 /nfs/dbraw/zinc/01/04/14/660010414.db2.gz YGDNWGCTERLURN-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000069626825 660010416 /nfs/dbraw/zinc/01/04/16/660010416.db2.gz YGDNWGCTERLURN-UWVGGRQHSA-N 2 2 303.269 3.070 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](Cc2nc(C(C)C)ns2)CC1 ZINC000929277847 661293151 /nfs/dbraw/zinc/29/31/51/661293151.db2.gz WLZDTXMTEXYIMU-UHFFFAOYSA-N 2 2 310.511 3.215 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000929296700 661295145 /nfs/dbraw/zinc/29/51/45/661295145.db2.gz MIKXXVAYHZCNLS-UHFFFAOYSA-N 2 2 311.420 3.304 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000929296700 661295146 /nfs/dbraw/zinc/29/51/46/661295146.db2.gz MIKXXVAYHZCNLS-UHFFFAOYSA-N 2 2 311.420 3.304 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000929533701 661315929 /nfs/dbraw/zinc/31/59/29/661315929.db2.gz VVTOBWCVJCFWRD-INIZCTEOSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)o3)C2)c[nH+]1 ZINC000929533701 661315930 /nfs/dbraw/zinc/31/59/30/661315930.db2.gz VVTOBWCVJCFWRD-INIZCTEOSA-N 2 2 308.385 3.375 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929750514 661334572 /nfs/dbraw/zinc/33/45/72/661334572.db2.gz UYUYDARTUSGAMG-ZNMIVQPWSA-N 2 2 322.415 3.150 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929750514 661334574 /nfs/dbraw/zinc/33/45/74/661334574.db2.gz UYUYDARTUSGAMG-ZNMIVQPWSA-N 2 2 322.415 3.150 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929750507 661334738 /nfs/dbraw/zinc/33/47/38/661334738.db2.gz UYUYDARTUSGAMG-KKUMJFAQSA-N 2 2 322.415 3.150 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000929750507 661334741 /nfs/dbraw/zinc/33/47/41/661334741.db2.gz UYUYDARTUSGAMG-KKUMJFAQSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778333 661337631 /nfs/dbraw/zinc/33/76/31/661337631.db2.gz GZQFVBASNJZMCB-RRFJBIMHSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778333 661337632 /nfs/dbraw/zinc/33/76/32/661337632.db2.gz GZQFVBASNJZMCB-RRFJBIMHSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778333 661337636 /nfs/dbraw/zinc/33/76/36/661337636.db2.gz GZQFVBASNJZMCB-RRFJBIMHSA-N 2 2 322.415 3.150 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000929778333 661337637 /nfs/dbraw/zinc/33/76/37/661337637.db2.gz GZQFVBASNJZMCB-RRFJBIMHSA-N 2 2 322.415 3.150 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)C[C@@H]1C ZINC000929782514 661337689 /nfs/dbraw/zinc/33/76/89/661337689.db2.gz VVKXMVRINGDLCB-ZOBUZTSGSA-N 2 2 318.461 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)C(=O)c2ccc(O)cc2)C[C@@H]1C ZINC000929782514 661337692 /nfs/dbraw/zinc/33/76/92/661337692.db2.gz VVKXMVRINGDLCB-ZOBUZTSGSA-N 2 2 318.461 3.016 20 0 DGADLP C[NH+](CCC[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)Cc1ccco1 ZINC000930475794 661402143 /nfs/dbraw/zinc/40/21/43/661402143.db2.gz LCJZTXKEDOWGGO-RBVVOMGSSA-N 2 2 312.404 3.325 20 0 DGADLP C[NH+](CCC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)Cc1ccco1 ZINC000930475794 661402146 /nfs/dbraw/zinc/40/21/46/661402146.db2.gz LCJZTXKEDOWGGO-RBVVOMGSSA-N 2 2 312.404 3.325 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930475794 661402147 /nfs/dbraw/zinc/40/21/47/661402147.db2.gz LCJZTXKEDOWGGO-RBVVOMGSSA-N 2 2 312.404 3.325 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930475794 661402149 /nfs/dbraw/zinc/40/21/49/661402149.db2.gz LCJZTXKEDOWGGO-RBVVOMGSSA-N 2 2 312.404 3.325 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[NH2+]C(C)(C)C)c2)[nH+]c1C ZINC000930550178 661409524 /nfs/dbraw/zinc/40/95/24/661409524.db2.gz XVYQSJGDFGWRFH-UHFFFAOYSA-N 2 2 314.433 3.410 20 0 DGADLP CSc1ccc(OCC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC000931312860 661466189 /nfs/dbraw/zinc/46/61/89/661466189.db2.gz ZFEUSTALMQEIAR-QZTJIDSGSA-N 2 2 320.502 3.061 20 0 DGADLP C[C@@H](CC[N@@H+]1CCc2[nH+]ccc(N)c2C1)OCc1ccccc1 ZINC000931520356 661484560 /nfs/dbraw/zinc/48/45/60/661484560.db2.gz YVCMVVARXAZWML-HNNXBMFYSA-N 2 2 311.429 3.017 20 0 DGADLP C[C@@H](CC[N@H+]1CCc2[nH+]ccc(N)c2C1)OCc1ccccc1 ZINC000931520356 661484561 /nfs/dbraw/zinc/48/45/61/661484561.db2.gz YVCMVVARXAZWML-HNNXBMFYSA-N 2 2 311.429 3.017 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620536 661493563 /nfs/dbraw/zinc/49/35/63/661493563.db2.gz GTXDFCQNIKSDSV-OKZBNKHCSA-N 2 2 306.494 3.427 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620536 661493564 /nfs/dbraw/zinc/49/35/64/661493564.db2.gz GTXDFCQNIKSDSV-OKZBNKHCSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620536 661493565 /nfs/dbraw/zinc/49/35/65/661493565.db2.gz GTXDFCQNIKSDSV-OKZBNKHCSA-N 2 2 306.494 3.427 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC2(CCCCCC2)O1 ZINC000931620536 661493566 /nfs/dbraw/zinc/49/35/66/661493566.db2.gz GTXDFCQNIKSDSV-OKZBNKHCSA-N 2 2 306.494 3.427 20 0 DGADLP Cc1cccc([C@H](O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000931706234 661500324 /nfs/dbraw/zinc/50/03/24/661500324.db2.gz BBVQAUYQYCBPSR-VQTJNVASSA-N 2 2 321.424 3.256 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c[nH+]1 ZINC000932190410 661546707 /nfs/dbraw/zinc/54/67/07/661546707.db2.gz BUUQNEAQIDLDRR-CQSZACIVSA-N 2 2 316.474 3.098 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c[nH+]1 ZINC000932190410 661546709 /nfs/dbraw/zinc/54/67/09/661546709.db2.gz BUUQNEAQIDLDRR-CQSZACIVSA-N 2 2 316.474 3.098 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933733747 661654650 /nfs/dbraw/zinc/65/46/50/661654650.db2.gz ICAVGZXSQWJMMT-APWZRJJASA-N 2 2 311.429 3.034 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933733747 661654652 /nfs/dbraw/zinc/65/46/52/661654652.db2.gz ICAVGZXSQWJMMT-APWZRJJASA-N 2 2 311.429 3.034 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933733747 661654655 /nfs/dbraw/zinc/65/46/55/661654655.db2.gz ICAVGZXSQWJMMT-APWZRJJASA-N 2 2 311.429 3.034 20 0 DGADLP Cc1cc2ncn(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000246482362 662261387 /nfs/dbraw/zinc/26/13/87/662261387.db2.gz GRBHKFXOZVOUHR-KUHUBIRLSA-N 2 2 323.444 3.390 20 0 DGADLP Cc1cc2ncn(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000246482362 662261389 /nfs/dbraw/zinc/26/13/89/662261389.db2.gz GRBHKFXOZVOUHR-KUHUBIRLSA-N 2 2 323.444 3.390 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000091666553 662312422 /nfs/dbraw/zinc/31/24/22/662312422.db2.gz APDKTKBJBZOTRP-IKGGRYGDSA-N 2 2 308.853 3.244 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000091666553 662312426 /nfs/dbraw/zinc/31/24/26/662312426.db2.gz APDKTKBJBZOTRP-IKGGRYGDSA-N 2 2 308.853 3.244 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138680 685199757 /nfs/dbraw/zinc/19/97/57/685199757.db2.gz FWRAPNVZHPHUPK-BEVDRBHNSA-N 2 2 314.473 3.079 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000390138680 685199759 /nfs/dbraw/zinc/19/97/59/685199759.db2.gz FWRAPNVZHPHUPK-BEVDRBHNSA-N 2 2 314.473 3.079 20 0 DGADLP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001659767612 1196413250 /nfs/dbraw/zinc/41/32/50/1196413250.db2.gz YHWZYTQAXRKNGB-NEPJUHHUSA-N 2 2 317.260 3.445 20 0 DGADLP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001659767612 1196413251 /nfs/dbraw/zinc/41/32/51/1196413251.db2.gz YHWZYTQAXRKNGB-NEPJUHHUSA-N 2 2 317.260 3.445 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001576747735 1191867031 /nfs/dbraw/zinc/86/70/31/1191867031.db2.gz CZZYNZHRUDXJLR-FUHIMQAGSA-N 3 2 315.505 3.149 20 0 DGADLP CC[C@@H]1CCC[C@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001577246542 1191890137 /nfs/dbraw/zinc/89/01/37/1191890137.db2.gz GBZOBJBKUDURBR-CVEARBPZSA-N 2 2 302.466 3.120 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001578275189 1191936422 /nfs/dbraw/zinc/93/64/22/1191936422.db2.gz COWAPGBRIDNHDT-IFXJQAMLSA-N 2 2 310.441 3.362 20 0 DGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CCCC2 ZINC001579178750 1191968297 /nfs/dbraw/zinc/96/82/97/1191968297.db2.gz CIVKKGVZSPGVJC-JLJPHGGASA-N 2 2 318.461 3.201 20 0 DGADLP c1ccc(N2CC[NH+](CCC[NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC001620569758 1191992029 /nfs/dbraw/zinc/99/20/29/1191992029.db2.gz OSQFIFKVHCKNLE-UHFFFAOYSA-N 2 2 313.489 3.121 20 0 DGADLP Cc1cccnc1[C@H]([NH2+]C[C@@H]([NH3+])CC(F)(F)F)C(C)(C)C ZINC001579808141 1191994979 /nfs/dbraw/zinc/99/49/79/1191994979.db2.gz ZSRHKVVZGGSEAO-AAEUAGOBSA-N 2 2 303.372 3.347 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001660752460 1196518850 /nfs/dbraw/zinc/51/88/50/1196518850.db2.gz UPUHCIIAUKKUNP-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001660752460 1196518852 /nfs/dbraw/zinc/51/88/52/1196518852.db2.gz UPUHCIIAUKKUNP-OAHLLOKOSA-N 2 2 300.368 3.365 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC001579944853 1192000630 /nfs/dbraw/zinc/00/06/30/1192000630.db2.gz VWOKHGHOTSHDSM-IEBWSBKVSA-N 2 2 312.461 3.100 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC001579944853 1192000632 /nfs/dbraw/zinc/00/06/32/1192000632.db2.gz VWOKHGHOTSHDSM-IEBWSBKVSA-N 2 2 312.461 3.100 20 0 DGADLP Fc1cc(NCc2cccc3c2CC[NH2+]C3)ccc1-n1cc[nH+]c1 ZINC001580029264 1192003615 /nfs/dbraw/zinc/00/36/15/1192003615.db2.gz JVTDWJHRYWLPPE-UHFFFAOYSA-N 2 2 322.387 3.269 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C12CCC2 ZINC001580162690 1192010986 /nfs/dbraw/zinc/01/09/86/1192010986.db2.gz DCCCCBPETABUGH-CABCVRRESA-N 2 2 317.433 3.309 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)C1CCCCC1 ZINC001580228970 1192015279 /nfs/dbraw/zinc/01/52/79/1192015279.db2.gz IQVMLESVEBMXKG-MRXNPFEDSA-N 2 2 308.853 3.272 20 0 DGADLP [NH3+]C[C@@]12C[N@H+](Cc3cncc(C(F)(F)F)c3)C[C@@H]1CCCC2 ZINC001580254436 1192016149 /nfs/dbraw/zinc/01/61/49/1192016149.db2.gz CJCDLSYWVMSGDO-ZFWWWQNUSA-N 2 2 313.367 3.051 20 0 DGADLP [NH3+]C[C@@]12C[N@@H+](Cc3cncc(C(F)(F)F)c3)C[C@@H]1CCCC2 ZINC001580254436 1192016150 /nfs/dbraw/zinc/01/61/50/1192016150.db2.gz CJCDLSYWVMSGDO-ZFWWWQNUSA-N 2 2 313.367 3.051 20 0 DGADLP c1c2ccncc2sc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC001580889558 1192043883 /nfs/dbraw/zinc/04/38/83/1192043883.db2.gz CNRPWIJRRNHNNS-UHFFFAOYSA-N 2 2 301.459 3.260 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620678910 1192063611 /nfs/dbraw/zinc/06/36/11/1192063611.db2.gz MURZUBITQDABBT-UHFFFAOYSA-N 2 2 319.836 3.462 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CC3(CO2)CCCCC3)CC1 ZINC001620678614 1192063776 /nfs/dbraw/zinc/06/37/76/1192063776.db2.gz CTFYHMIAPKVCGU-QGZVFWFLSA-N 2 2 317.477 3.339 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC001620678830 1192064180 /nfs/dbraw/zinc/06/41/80/1192064180.db2.gz JXLLJMGOQYLLEX-UHFFFAOYSA-N 2 2 313.445 3.206 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCC2 ZINC001620803127 1192084011 /nfs/dbraw/zinc/08/40/11/1192084011.db2.gz JWZAILUPYNONAY-HZPDHXFCSA-N 2 2 317.458 3.371 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC001620826411 1192228411 /nfs/dbraw/zinc/22/84/11/1192228411.db2.gz HWMUAKXROKWJKD-UHFFFAOYSA-N 2 2 318.852 3.393 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC001620871450 1192502359 /nfs/dbraw/zinc/50/23/59/1192502359.db2.gz AREWOVKRZNCQBB-LMMKCTJWSA-N 2 2 313.445 3.398 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092371206 1176016602 /nfs/dbraw/zinc/01/66/02/1176016602.db2.gz ZYKWKICJMJUHFG-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092371206 1176016612 /nfs/dbraw/zinc/01/66/12/1176016612.db2.gz ZYKWKICJMJUHFG-AWEZNQCLSA-N 2 2 301.459 3.242 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)CC2 ZINC000378918397 1176753970 /nfs/dbraw/zinc/75/39/70/1176753970.db2.gz NOFBGTXPKICWMI-QAPCUYQASA-N 2 2 302.462 3.017 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]cn1C)C2 ZINC001276145060 1177943235 /nfs/dbraw/zinc/94/32/35/1177943235.db2.gz RQOOXVDVJFEYKD-KSZLIROESA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]cn1C)C2 ZINC001276145060 1177943245 /nfs/dbraw/zinc/94/32/45/1177943245.db2.gz RQOOXVDVJFEYKD-KSZLIROESA-N 2 2 318.509 3.143 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)cc2)[nH+]c1C ZINC001330983164 1178105354 /nfs/dbraw/zinc/10/53/54/1178105354.db2.gz NPYXBPHUFRSVKO-BZNIZROVSA-N 2 2 312.417 3.020 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2)[nH+]c1C ZINC001330983982 1178106409 /nfs/dbraw/zinc/10/64/09/1178106409.db2.gz UNTQGENWRXFFEV-HZPDHXFCSA-N 2 2 312.417 3.150 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1ccccc1F ZINC001331922379 1178309607 /nfs/dbraw/zinc/30/96/07/1178309607.db2.gz IXGDJBUDAJZCPM-VOTSOKGWSA-N 2 2 322.343 3.367 20 0 DGADLP CCC[C@H](C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC001333001473 1178537997 /nfs/dbraw/zinc/53/79/97/1178537997.db2.gz YAWCKKGNRQNSLV-IAGOWNOFSA-N 2 2 301.434 3.109 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)[nH+]c1C ZINC001333466563 1178609180 /nfs/dbraw/zinc/60/91/80/1178609180.db2.gz LKRCRHHXRJMPFI-UHFFFAOYSA-N 2 2 323.391 3.077 20 0 DGADLP Cc1nnsc1[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001334045325 1178711947 /nfs/dbraw/zinc/71/19/47/1178711947.db2.gz XQPLPHQGGGFWFJ-CQSZACIVSA-N 2 2 319.478 3.296 20 0 DGADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001334391656 1178758552 /nfs/dbraw/zinc/75/85/52/1178758552.db2.gz XALFYGBHLZBLCY-LPHOPBHVSA-N 2 2 319.493 3.180 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724709 1178786746 /nfs/dbraw/zinc/78/67/46/1178786746.db2.gz YGKCKDYGFOQKRI-PBHICJAKSA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001334724709 1178786750 /nfs/dbraw/zinc/78/67/50/1178786750.db2.gz YGKCKDYGFOQKRI-PBHICJAKSA-N 2 2 316.836 3.043 20 0 DGADLP COCCCC1(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC1 ZINC001335483864 1178918923 /nfs/dbraw/zinc/91/89/23/1178918923.db2.gz SEDNATWXQQEVRK-KRWDZBQOSA-N 2 2 319.493 3.272 20 0 DGADLP COCCCC1(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC1 ZINC001335483864 1178918926 /nfs/dbraw/zinc/91/89/26/1178918926.db2.gz SEDNATWXQQEVRK-KRWDZBQOSA-N 2 2 319.493 3.272 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001341456672 1179010555 /nfs/dbraw/zinc/01/05/55/1179010555.db2.gz STQXCRSYHZKIAA-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001341456672 1179010562 /nfs/dbraw/zinc/01/05/62/1179010562.db2.gz STQXCRSYHZKIAA-AWEZNQCLSA-N 2 2 302.447 3.231 20 0 DGADLP [NH3+][C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C1CCCCCC1 ZINC001341555333 1179027454 /nfs/dbraw/zinc/02/74/54/1179027454.db2.gz ZSEXBCCSCJAPND-KRWDZBQOSA-N 2 2 312.417 3.109 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CCCO2)CC1 ZINC001343470451 1179281455 /nfs/dbraw/zinc/28/14/55/1179281455.db2.gz JPGLSJKXJGNLSB-UPTPFMHGSA-N 2 2 305.466 3.379 20 0 DGADLP Cc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001346589064 1179722992 /nfs/dbraw/zinc/72/29/92/1179722992.db2.gz UHNUHMFZZQNAJW-UHFFFAOYSA-N 2 2 305.385 3.317 20 0 DGADLP CSc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001350338841 1180056259 /nfs/dbraw/zinc/05/62/59/1180056259.db2.gz YRBSRNOAUSOCFY-UHFFFAOYSA-N 2 2 320.502 3.142 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316064 1193002900 /nfs/dbraw/zinc/00/29/00/1193002900.db2.gz WZUHLEGBCZLUEG-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316064 1193002903 /nfs/dbraw/zinc/00/29/03/1193002903.db2.gz WZUHLEGBCZLUEG-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316064 1193002906 /nfs/dbraw/zinc/00/29/06/1193002906.db2.gz WZUHLEGBCZLUEG-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2c(n1)CCCC2 ZINC001621316064 1193002910 /nfs/dbraw/zinc/00/29/10/1193002910.db2.gz WZUHLEGBCZLUEG-JXFKEZNVSA-N 2 2 313.489 3.185 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC001351161244 1180180448 /nfs/dbraw/zinc/18/04/48/1180180448.db2.gz FYDYSEGJTLLLMD-HNNXBMFYSA-N 2 2 301.409 3.344 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC001351161244 1180180450 /nfs/dbraw/zinc/18/04/50/1180180450.db2.gz FYDYSEGJTLLLMD-HNNXBMFYSA-N 2 2 301.409 3.344 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001200113995 1180385083 /nfs/dbraw/zinc/38/50/83/1180385083.db2.gz DTMPWFZLVJYIGB-GFCCVEGCSA-N 2 2 316.430 3.334 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc2)[nH+]c1C ZINC001353146221 1180474122 /nfs/dbraw/zinc/47/41/22/1180474122.db2.gz LCOTWDFZDGWRTK-BZNIZROVSA-N 2 2 314.433 3.251 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001200411387 1180622761 /nfs/dbraw/zinc/62/27/61/1180622761.db2.gz GKASBCBYNRBCJD-YZGWKJHDSA-N 2 2 315.505 3.286 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001200411387 1180622764 /nfs/dbraw/zinc/62/27/64/1180622764.db2.gz GKASBCBYNRBCJD-YZGWKJHDSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001200411387 1180622768 /nfs/dbraw/zinc/62/27/68/1180622768.db2.gz GKASBCBYNRBCJD-YZGWKJHDSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001200411387 1180622769 /nfs/dbraw/zinc/62/27/69/1180622769.db2.gz GKASBCBYNRBCJD-YZGWKJHDSA-N 2 2 315.505 3.286 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001200411384 1180622879 /nfs/dbraw/zinc/62/28/79/1180622879.db2.gz GKASBCBYNRBCJD-YSIASYRMSA-N 2 2 315.505 3.286 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001200411384 1180622882 /nfs/dbraw/zinc/62/28/82/1180622882.db2.gz GKASBCBYNRBCJD-YSIASYRMSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001200411384 1180622884 /nfs/dbraw/zinc/62/28/84/1180622884.db2.gz GKASBCBYNRBCJD-YSIASYRMSA-N 2 2 315.505 3.286 20 0 DGADLP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001200411384 1180622892 /nfs/dbraw/zinc/62/28/92/1180622892.db2.gz GKASBCBYNRBCJD-YSIASYRMSA-N 2 2 315.505 3.286 20 0 DGADLP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001460090190 1182649826 /nfs/dbraw/zinc/64/98/26/1182649826.db2.gz QAGKZAAYYRIFEU-QZTJIDSGSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001460090190 1182649831 /nfs/dbraw/zinc/64/98/31/1182649831.db2.gz QAGKZAAYYRIFEU-QZTJIDSGSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001460090192 1182650248 /nfs/dbraw/zinc/65/02/48/1182650248.db2.gz QAGKZAAYYRIFEU-ZWKOTPCHSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001460090192 1182650253 /nfs/dbraw/zinc/65/02/53/1182650253.db2.gz QAGKZAAYYRIFEU-ZWKOTPCHSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[NH+](C)C ZINC001460998382 1182753542 /nfs/dbraw/zinc/75/35/42/1182753542.db2.gz DUEQCQUZWSLQRL-HNNXBMFYSA-N 2 2 309.473 3.349 20 0 DGADLP CCn1ccnc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001461005682 1182754751 /nfs/dbraw/zinc/75/47/51/1182754751.db2.gz BMCZXTYPUPCIRY-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC001461039728 1182759344 /nfs/dbraw/zinc/75/93/44/1182759344.db2.gz MIFXKVTYNLKUTI-LBPRGKRZSA-N 2 2 300.793 3.263 20 0 DGADLP C[C@@H](CCc1cccn1C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001461209825 1182781876 /nfs/dbraw/zinc/78/18/76/1182781876.db2.gz NXHCKVAAQVKFLB-AWEZNQCLSA-N 2 2 314.458 3.383 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC001461830953 1182864081 /nfs/dbraw/zinc/86/40/81/1182864081.db2.gz AIMDUXJHFUBOAC-UKRRQHHQSA-N 2 2 311.495 3.205 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH+]2CCCCC2)c2c1OC(F)(F)O2 ZINC001461943332 1182882844 /nfs/dbraw/zinc/88/28/44/1182882844.db2.gz SVXBTOOBENBOGE-UHFFFAOYSA-N 2 2 312.360 3.056 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001462430739 1182951265 /nfs/dbraw/zinc/95/12/65/1182951265.db2.gz RXOYBIUWYDTTJI-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001462430739 1182951270 /nfs/dbraw/zinc/95/12/70/1182951270.db2.gz RXOYBIUWYDTTJI-FUHWJXTLSA-N 2 2 304.478 3.444 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC001462430940 1182951751 /nfs/dbraw/zinc/95/17/51/1182951751.db2.gz VRQABSYTHIWEFR-FJIDUMEYSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001462592745 1182973940 /nfs/dbraw/zinc/97/39/40/1182973940.db2.gz FYXVIIVQASZFQP-AFIMGQEJSA-N 2 2 323.912 3.056 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001462592745 1182973945 /nfs/dbraw/zinc/97/39/45/1182973945.db2.gz FYXVIIVQASZFQP-AFIMGQEJSA-N 2 2 323.912 3.056 20 0 DGADLP C[C@H]1C[C@H](CC[NH+]2CCN(c3[nH+]ccn3C)CC2)C[C@@H](C)C1 ZINC001473299548 1183740873 /nfs/dbraw/zinc/74/08/73/1183740873.db2.gz NNRZYIXSCZNXJM-FVQHAEBGSA-N 2 2 304.482 3.005 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1(CO)CCCC1 ZINC001473531512 1183770908 /nfs/dbraw/zinc/77/09/08/1183770908.db2.gz ISCHEJFPPMHBBX-FGTMMUONSA-N 2 2 310.526 3.131 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(CO)CCCC1 ZINC001473531512 1183770910 /nfs/dbraw/zinc/77/09/10/1183770910.db2.gz ISCHEJFPPMHBBX-FGTMMUONSA-N 2 2 310.526 3.131 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001473965088 1183839716 /nfs/dbraw/zinc/83/97/16/1183839716.db2.gz USPIUCUIHCILCD-AWEZNQCLSA-N 2 2 309.885 3.228 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001473965088 1183839719 /nfs/dbraw/zinc/83/97/19/1183839719.db2.gz USPIUCUIHCILCD-AWEZNQCLSA-N 2 2 309.885 3.228 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642575 1183954795 /nfs/dbraw/zinc/95/47/95/1183954795.db2.gz PTSXTVDZLPVNFZ-HOTGVXAUSA-N 2 2 311.473 3.408 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)C1 ZINC001474642575 1183954798 /nfs/dbraw/zinc/95/47/98/1183954798.db2.gz PTSXTVDZLPVNFZ-HOTGVXAUSA-N 2 2 311.473 3.408 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480826483 1184622310 /nfs/dbraw/zinc/62/23/10/1184622310.db2.gz LOMLCYLUNCZXLF-KRWDZBQOSA-N 2 2 317.477 3.391 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480826483 1184622315 /nfs/dbraw/zinc/62/23/15/1184622315.db2.gz LOMLCYLUNCZXLF-KRWDZBQOSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001502732410 1186005282 /nfs/dbraw/zinc/00/52/82/1186005282.db2.gz ZTGDQQOFDMRLSR-PBHICJAKSA-N 2 2 317.477 3.103 20 0 DGADLP CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001505818004 1186143684 /nfs/dbraw/zinc/14/36/84/1186143684.db2.gz IGDUOAXRPBSKFD-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001508128930 1186483883 /nfs/dbraw/zinc/48/38/83/1186483883.db2.gz KBUMVAUWLSHQSS-AXOLYNHLSA-N 2 2 317.477 3.246 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC001549088300 1186688893 /nfs/dbraw/zinc/68/88/93/1186688893.db2.gz NYAALRSXHXCFAA-GXFFZTMASA-N 2 2 304.381 3.328 20 0 DGADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC001549088300 1186688895 /nfs/dbraw/zinc/68/88/95/1186688895.db2.gz NYAALRSXHXCFAA-GXFFZTMASA-N 2 2 304.381 3.328 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC001615670067 1193525941 /nfs/dbraw/zinc/52/59/41/1193525941.db2.gz ZOHOYUGLTJMFQX-SFHVURJKSA-N 2 2 312.461 3.295 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@H]32)n1C ZINC001549372050 1188515389 /nfs/dbraw/zinc/51/53/89/1188515389.db2.gz JZSRFEUGDIBICE-CEXWTWQISA-N 2 2 311.429 3.223 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3O[C@@H](c4ccccc4)C[C@H]32)n1C ZINC001549372050 1188515398 /nfs/dbraw/zinc/51/53/98/1188515398.db2.gz JZSRFEUGDIBICE-CEXWTWQISA-N 2 2 311.429 3.223 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587325 1188528871 /nfs/dbraw/zinc/52/88/71/1188528871.db2.gz VQVBUCXWCISTDJ-CRAIPNDOSA-N 2 2 317.408 3.126 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587325 1188528873 /nfs/dbraw/zinc/52/88/73/1188528873.db2.gz VQVBUCXWCISTDJ-CRAIPNDOSA-N 2 2 317.408 3.126 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587331 1188528943 /nfs/dbraw/zinc/52/89/43/1188528943.db2.gz VQVBUCXWCISTDJ-MAUKXSAKSA-N 2 2 317.408 3.126 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587331 1188528945 /nfs/dbraw/zinc/52/89/45/1188528945.db2.gz VQVBUCXWCISTDJ-MAUKXSAKSA-N 2 2 317.408 3.126 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001550058745 1188576598 /nfs/dbraw/zinc/57/65/98/1188576598.db2.gz OHTBJEFJSMBEON-CYBMUJFWSA-N 2 2 306.360 3.132 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001550058745 1188576600 /nfs/dbraw/zinc/57/66/00/1188576600.db2.gz OHTBJEFJSMBEON-CYBMUJFWSA-N 2 2 306.360 3.132 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149042 1188586546 /nfs/dbraw/zinc/58/65/46/1188586546.db2.gz OLIRHQKIWVGUDG-XUVXKRRUSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149042 1188586549 /nfs/dbraw/zinc/58/65/49/1188586549.db2.gz OLIRHQKIWVGUDG-XUVXKRRUSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149042 1188586552 /nfs/dbraw/zinc/58/65/52/1188586552.db2.gz OLIRHQKIWVGUDG-XUVXKRRUSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149042 1188586553 /nfs/dbraw/zinc/58/65/53/1188586553.db2.gz OLIRHQKIWVGUDG-XUVXKRRUSA-N 2 2 310.441 3.042 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc2)[nH+]c1C ZINC001550217557 1188594979 /nfs/dbraw/zinc/59/49/79/1188594979.db2.gz CRYKSSVOSARBRT-OAHLLOKOSA-N 2 2 300.406 3.005 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@]34CCC[C@@H]3[NH2+]CC4)cc2)[nH+]c1C ZINC001550217589 1188595154 /nfs/dbraw/zinc/59/51/54/1188595154.db2.gz DXXSDLZMBDTGNR-LPHOPBHVSA-N 2 2 324.428 3.164 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541022 1188621829 /nfs/dbraw/zinc/62/18/29/1188621829.db2.gz PGICLGQQLIWIQQ-TZMCWYRMSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541022 1188621831 /nfs/dbraw/zinc/62/18/31/1188621831.db2.gz PGICLGQQLIWIQQ-TZMCWYRMSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541022 1188621836 /nfs/dbraw/zinc/62/18/36/1188621836.db2.gz PGICLGQQLIWIQQ-TZMCWYRMSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541022 1188621839 /nfs/dbraw/zinc/62/18/39/1188621839.db2.gz PGICLGQQLIWIQQ-TZMCWYRMSA-N 2 2 319.499 3.255 20 0 DGADLP C[C@@H](c1cccc(OC(F)(F)F)c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001550700625 1188642428 /nfs/dbraw/zinc/64/24/28/1188642428.db2.gz CTEGPHZEAUBTNZ-IFQILLTASA-N 2 2 300.324 3.069 20 0 DGADLP C[C@@H](c1cccc(OC(F)(F)F)c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001550700625 1188642435 /nfs/dbraw/zinc/64/24/35/1188642435.db2.gz CTEGPHZEAUBTNZ-IFQILLTASA-N 2 2 300.324 3.069 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](C2CC2)CC1 ZINC001551025728 1188685451 /nfs/dbraw/zinc/68/54/51/1188685451.db2.gz IIPFYUFQXXJCRM-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](C2CC2)CC1 ZINC001551025728 1188685453 /nfs/dbraw/zinc/68/54/53/1188685453.db2.gz IIPFYUFQXXJCRM-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP C[NH+](C)Cc1nc(C[NH2+][C@H]2CCCc3ccccc3C2)cs1 ZINC001551229768 1188717133 /nfs/dbraw/zinc/71/71/33/1188717133.db2.gz VCRWUWFILIOCCK-INIZCTEOSA-N 2 2 315.486 3.242 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001553024351 1188890147 /nfs/dbraw/zinc/89/01/47/1188890147.db2.gz YLCAQYXAGDHLRY-MORSLUCNSA-N 2 2 314.429 3.308 20 0 DGADLP CCCN(CC[NH+]1CCCCCC1)Cc1cc(OC)cc(C)[nH+]1 ZINC001559878346 1189253067 /nfs/dbraw/zinc/25/30/67/1189253067.db2.gz ZEQKKYHJGCJIGG-UHFFFAOYSA-N 2 2 319.493 3.487 20 0 DGADLP c1nc2ccccc2n1-c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC001560250359 1189299562 /nfs/dbraw/zinc/29/95/62/1189299562.db2.gz ODUBDMURHKDGCC-UHFFFAOYSA-N 2 2 320.440 3.211 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC001560297744 1189307289 /nfs/dbraw/zinc/30/72/89/1189307289.db2.gz NWXAEOWSMANLAM-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2sccc2Br)C1 ZINC001560297744 1189307294 /nfs/dbraw/zinc/30/72/94/1189307294.db2.gz NWXAEOWSMANLAM-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C[C@H](CC[NH2+]Cc1cnc([C@H]2CCCO2)s1)[NH+]1CCCCC1 ZINC001560437012 1189328522 /nfs/dbraw/zinc/32/85/22/1189328522.db2.gz ZKQCWTDWRGKUQW-GDBMZVCRSA-N 2 2 323.506 3.349 20 0 DGADLP CN(C)c1cc[nH+]cc1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC001560621341 1189350585 /nfs/dbraw/zinc/35/05/85/1189350585.db2.gz IDNAUMPBWZXWOK-UHFFFAOYSA-N 2 2 315.808 3.300 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884234 1189399535 /nfs/dbraw/zinc/39/95/35/1189399535.db2.gz RCXUYAIERJTTRK-RHSMWYFYSA-N 2 2 317.452 3.322 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884234 1189399539 /nfs/dbraw/zinc/39/95/39/1189399539.db2.gz RCXUYAIERJTTRK-RHSMWYFYSA-N 2 2 317.452 3.322 20 0 DGADLP C[C@@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001561016275 1189421508 /nfs/dbraw/zinc/42/15/08/1189421508.db2.gz SHHHSSIZYZFRSY-MJGOQNOKSA-N 2 2 321.553 3.351 20 0 DGADLP C[C@@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001561016275 1189421509 /nfs/dbraw/zinc/42/15/09/1189421509.db2.gz SHHHSSIZYZFRSY-MJGOQNOKSA-N 2 2 321.553 3.351 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1C ZINC001657296019 1196128416 /nfs/dbraw/zinc/12/84/16/1196128416.db2.gz ZTPYZSODXVBKKB-CQSZACIVSA-N 2 2 304.478 3.190 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1C ZINC001657296019 1196128417 /nfs/dbraw/zinc/12/84/17/1196128417.db2.gz ZTPYZSODXVBKKB-CQSZACIVSA-N 2 2 304.478 3.190 20 0 DGADLP CCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001571629510 1191068632 /nfs/dbraw/zinc/06/86/32/1191068632.db2.gz MXPCOKZEJLUUDD-OAHLLOKOSA-N 2 2 305.466 3.151 20 0 DGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001575130248 1191468049 /nfs/dbraw/zinc/46/80/49/1191468049.db2.gz HRUUALFANLGBPB-OAHLLOKOSA-N 2 2 301.434 3.184 20 0 DGADLP CC1(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001620774852 1191502398 /nfs/dbraw/zinc/50/23/98/1191502398.db2.gz AANZFXOECCWYSU-UHFFFAOYSA-N 2 2 321.896 3.242 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1nc(C(F)(F)F)cs1 ZINC001576245768 1191546137 /nfs/dbraw/zinc/54/61/37/1191546137.db2.gz RSAVDHSGBWNYRH-VHSXEESVSA-N 2 2 307.385 3.202 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001620725900 1193795584 /nfs/dbraw/zinc/79/55/84/1193795584.db2.gz IYKMODYALHKSDM-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001620725900 1193795586 /nfs/dbraw/zinc/79/55/86/1193795586.db2.gz IYKMODYALHKSDM-HZPDHXFCSA-N 2 2 308.853 3.455 20 0 DGADLP COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1C ZINC001621457993 1193845815 /nfs/dbraw/zinc/84/58/15/1193845815.db2.gz TVGVANBIOVWLBF-QAPCUYQASA-N 2 2 319.493 3.259 20 0 DGADLP COc1c(C)cnc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1C ZINC001621457993 1193845820 /nfs/dbraw/zinc/84/58/20/1193845820.db2.gz TVGVANBIOVWLBF-QAPCUYQASA-N 2 2 319.493 3.259 20 0 DGADLP Brc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000031995417 1193893611 /nfs/dbraw/zinc/89/36/11/1193893611.db2.gz YYIDSDRLQNDOLW-MRXNPFEDSA-N 2 2 323.278 3.415 20 0 DGADLP Brc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000031995417 1193893615 /nfs/dbraw/zinc/89/36/15/1193893615.db2.gz YYIDSDRLQNDOLW-MRXNPFEDSA-N 2 2 323.278 3.415 20 0 DGADLP Cc1nc(NCC2(C[NH+](C)C)CCCC2)c2c([nH+]1)CCCC2 ZINC001639761508 1194780174 /nfs/dbraw/zinc/78/01/74/1194780174.db2.gz YXVMZKUILUSJEW-UHFFFAOYSA-N 2 2 302.466 3.198 20 0 DGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364783 1195017384 /nfs/dbraw/zinc/01/73/84/1195017384.db2.gz QBJGBUIMJCZBBW-IBGZPJMESA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364783 1195017388 /nfs/dbraw/zinc/01/73/88/1195017388.db2.gz QBJGBUIMJCZBBW-IBGZPJMESA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364783 1195017392 /nfs/dbraw/zinc/01/73/92/1195017392.db2.gz QBJGBUIMJCZBBW-IBGZPJMESA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364783 1195017396 /nfs/dbraw/zinc/01/73/96/1195017396.db2.gz QBJGBUIMJCZBBW-IBGZPJMESA-N 2 2 316.489 3.398 20 0 DGADLP Fc1cccc2c1CC[C@H]2[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001644489962 1195113042 /nfs/dbraw/zinc/11/30/42/1195113042.db2.gz YQOWEDJAJWJCBU-LJQANCHMSA-N 2 2 318.436 3.046 20 0 DGADLP CC(C)[C@@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843058 1195137827 /nfs/dbraw/zinc/13/78/27/1195137827.db2.gz WGBGFZPSZZJIGK-LPHOPBHVSA-N 2 2 313.445 3.133 20 0 DGADLP CC(C)[C@@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001644843058 1195137830 /nfs/dbraw/zinc/13/78/30/1195137830.db2.gz WGBGFZPSZZJIGK-LPHOPBHVSA-N 2 2 313.445 3.133 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)sc2C1 ZINC001647037604 1195242436 /nfs/dbraw/zinc/24/24/36/1195242436.db2.gz MOPZLFSPBRWPJL-MGPQQGTHSA-N 2 2 307.507 3.230 20 0 DGADLP C[C@H](CCc1ccccc1)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001648742407 1195327533 /nfs/dbraw/zinc/32/75/33/1195327533.db2.gz YBOUGHSCGMSNHB-QYZOEREBSA-N 2 2 318.505 3.344 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001648779996 1195331772 /nfs/dbraw/zinc/33/17/72/1195331772.db2.gz RLJSOEWCVSMEKY-AWEZNQCLSA-N 2 2 310.376 3.263 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2cnn3ccccc23)c2ccccc2)c[nH+]1 ZINC001651471425 1195467940 /nfs/dbraw/zinc/46/79/40/1195467940.db2.gz AJYIFBUGJWHRKS-GOSISDBHSA-N 2 2 317.396 3.062 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2cnn3ccccc23)c2ccccc2)c[nH+]1 ZINC001651471426 1195468239 /nfs/dbraw/zinc/46/82/39/1195468239.db2.gz AJYIFBUGJWHRKS-SFHVURJKSA-N 2 2 317.396 3.062 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001651646757 1195490642 /nfs/dbraw/zinc/49/06/42/1195490642.db2.gz PIOSCTYXQSVALM-BAILOTOSSA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001651646757 1195490645 /nfs/dbraw/zinc/49/06/45/1195490645.db2.gz PIOSCTYXQSVALM-BAILOTOSSA-N 2 2 302.462 3.310 20 0 DGADLP CCC[C@H](C)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001651980490 1195531122 /nfs/dbraw/zinc/53/11/22/1195531122.db2.gz XCCWBOFBKFYGMB-KRWDZBQOSA-N 2 2 320.477 3.018 20 0 DGADLP CCC[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001651980490 1195531126 /nfs/dbraw/zinc/53/11/26/1195531126.db2.gz XCCWBOFBKFYGMB-KRWDZBQOSA-N 2 2 320.477 3.018 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H](Nc3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001652090897 1195546325 /nfs/dbraw/zinc/54/63/25/1195546325.db2.gz OTLLNFWMBIBCBK-GOSISDBHSA-N 2 2 310.445 3.397 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H](Nc3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001652090897 1195546330 /nfs/dbraw/zinc/54/63/30/1195546330.db2.gz OTLLNFWMBIBCBK-GOSISDBHSA-N 2 2 310.445 3.397 20 0 DGADLP CCCn1c[nH+]cc1CN(CC[NH+](C)C)Cc1cccc(C)c1 ZINC001652387649 1195590192 /nfs/dbraw/zinc/59/01/92/1195590192.db2.gz FOLWQLAANOUJCQ-UHFFFAOYSA-N 2 2 314.477 3.165 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(OC)c1 ZINC000067250327 1195613458 /nfs/dbraw/zinc/61/34/58/1195613458.db2.gz XNMDGJPKJPJCEX-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP C([C@@H]1COC2(CCCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001653164120 1195695161 /nfs/dbraw/zinc/69/51/61/1195695161.db2.gz IORDXLIYYHBMIS-GOSISDBHSA-N 2 2 322.493 3.013 20 0 DGADLP CCn1cncc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001653263585 1195705146 /nfs/dbraw/zinc/70/51/46/1195705146.db2.gz VGKLOMKHDZETBG-OAHLLOKOSA-N 2 2 315.465 3.234 20 0 DGADLP CCn1cncc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001653263585 1195705149 /nfs/dbraw/zinc/70/51/49/1195705149.db2.gz VGKLOMKHDZETBG-OAHLLOKOSA-N 2 2 315.465 3.234 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001655130135 1195879825 /nfs/dbraw/zinc/87/98/25/1195879825.db2.gz AGHJWQZWURWRGN-HZPDHXFCSA-N 2 2 305.466 3.387 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001655130135 1195879824 /nfs/dbraw/zinc/87/98/24/1195879824.db2.gz AGHJWQZWURWRGN-HZPDHXFCSA-N 2 2 305.466 3.387 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@@H](C)C1 ZINC001655170992 1195885723 /nfs/dbraw/zinc/88/57/23/1195885723.db2.gz MSXZIJWMXFYSOP-BBRMVZONSA-N 2 2 302.466 3.219 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@@H](C)C1 ZINC001655170992 1195885726 /nfs/dbraw/zinc/88/57/26/1195885726.db2.gz MSXZIJWMXFYSOP-BBRMVZONSA-N 2 2 302.466 3.219 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC001655239952 1195895081 /nfs/dbraw/zinc/89/50/81/1195895081.db2.gz YTAZFQDXCDJVTI-ZWKOTPCHSA-N 2 2 308.510 3.390 20 0 DGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cnc1Cl ZINC001655384642 1195911229 /nfs/dbraw/zinc/91/12/29/1195911229.db2.gz PJBBPUSWFOHFCE-AWEZNQCLSA-N 2 2 306.841 3.444 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Cl ZINC001655468409 1195921392 /nfs/dbraw/zinc/92/13/92/1195921392.db2.gz OCUOTAVGWWYPCC-JTQLQIEISA-N 2 2 305.249 3.432 20 0 DGADLP CO[C@@H](C[NH+]1CCC(c2c[nH+]cn2C)CC1)C1CCCCC1 ZINC001655905602 1195975540 /nfs/dbraw/zinc/97/55/40/1195975540.db2.gz XRDDNUKSYYMZAY-SFHVURJKSA-N 2 2 305.466 3.195 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CCC(C)CC2)C1 ZINC001656046546 1195991488 /nfs/dbraw/zinc/99/14/88/1195991488.db2.gz BMIHSBHVNHUXNG-QUCCMNQESA-N 2 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CCC(C)CC2)C1 ZINC001656046546 1195991491 /nfs/dbraw/zinc/99/14/91/1195991491.db2.gz BMIHSBHVNHUXNG-QUCCMNQESA-N 2 2 315.505 3.143 20 0 DGADLP Cc1cccn2c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cnc12 ZINC001656205602 1196017120 /nfs/dbraw/zinc/01/71/20/1196017120.db2.gz XLPRTPMHYBOMFU-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Br)cc1 ZINC001656219752 1196019458 /nfs/dbraw/zinc/01/94/58/1196019458.db2.gz AIXFWVRQQLHVTM-UHFFFAOYSA-N 2 2 320.234 3.200 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001656645700 1196057519 /nfs/dbraw/zinc/05/75/19/1196057519.db2.gz YDMXYXNYMXCAIW-LSDHHAIUSA-N 2 2 300.450 3.190 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001656645700 1196057522 /nfs/dbraw/zinc/05/75/22/1196057522.db2.gz YDMXYXNYMXCAIW-LSDHHAIUSA-N 2 2 300.450 3.190 20 0 DGADLP CCOc1ccccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC001656702640 1196063555 /nfs/dbraw/zinc/06/35/55/1196063555.db2.gz WWJQXCIAGNLZTQ-UHFFFAOYSA-N 2 2 320.477 3.064 20 0 DGADLP CCCn1c[nH+]cc1CNc1ccc(OCCC[NH+](C)C)cc1 ZINC001656738503 1196067282 /nfs/dbraw/zinc/06/72/82/1196067282.db2.gz IWWVSHJASHNMFD-UHFFFAOYSA-N 2 2 316.449 3.236 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C2 ZINC001656908312 1196082364 /nfs/dbraw/zinc/08/23/64/1196082364.db2.gz FUUUHPYRASTVPS-WMZOPIPTSA-N 2 2 316.489 3.407 20 0 DGADLP Cc1nc2ccccn2c1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001657103414 1196106329 /nfs/dbraw/zinc/10/63/29/1196106329.db2.gz FUHPPZPNGDYVGS-UHFFFAOYSA-N 2 2 323.425 3.180 20 0 DGADLP CCO[C@H](C[NH2+]Cc1cccc(CC2CCC2)c1)C[NH+](C)C ZINC001657973886 1196197811 /nfs/dbraw/zinc/19/78/11/1196197811.db2.gz ZXBHRFHQJHBFEG-LJQANCHMSA-N 2 2 304.478 3.086 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[NH+](C)C ZINC001657973431 1196198049 /nfs/dbraw/zinc/19/80/49/1196198049.db2.gz MXRAAWUHVXMOTF-LBPRGKRZSA-N 2 2 305.249 3.050 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@@H]1C[C@H]1C ZINC001659143359 1196352064 /nfs/dbraw/zinc/35/20/64/1196352064.db2.gz FXFCTBMWBZOBBV-CABCVRRESA-N 2 2 300.450 3.446 20 0 DGADLP CCC[NH+](CCC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001659240941 1196362371 /nfs/dbraw/zinc/36/23/71/1196362371.db2.gz UBJQFAXMONVAQS-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP CNc1ccc(C)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001659415218 1196382096 /nfs/dbraw/zinc/38/20/96/1196382096.db2.gz UOSDXWFMNKAMLA-INIZCTEOSA-N 2 2 312.461 3.225 20 0 DGADLP CNc1ccc(C)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001659415218 1196382098 /nfs/dbraw/zinc/38/20/98/1196382098.db2.gz UOSDXWFMNKAMLA-INIZCTEOSA-N 2 2 312.461 3.225 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C12CCCC2 ZINC001660272969 1196464637 /nfs/dbraw/zinc/46/46/37/1196464637.db2.gz UFRIMJGBVIYJBE-RCCFBDPRSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)ncn1 ZINC001660677791 1196510912 /nfs/dbraw/zinc/51/09/12/1196510912.db2.gz QTXYQWXYLGSGJL-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)ncn1 ZINC001660677791 1196510915 /nfs/dbraw/zinc/51/09/15/1196510915.db2.gz QTXYQWXYLGSGJL-OAHLLOKOSA-N 2 2 313.449 3.116 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001660919019 1196542259 /nfs/dbraw/zinc/54/22/59/1196542259.db2.gz PDRMMOOPGPSLPS-UHFFFAOYSA-N 2 2 303.837 3.496 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001660924293 1196543576 /nfs/dbraw/zinc/54/35/76/1196543576.db2.gz FWRMYESGWQDPOV-UHFFFAOYSA-N 2 2 317.408 3.338 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001661411996 1196603321 /nfs/dbraw/zinc/60/33/21/1196603321.db2.gz VFXXZBQIPLSYLG-GBESFXJTSA-N 2 2 308.510 3.436 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001661411996 1196603322 /nfs/dbraw/zinc/60/33/22/1196603322.db2.gz VFXXZBQIPLSYLG-GBESFXJTSA-N 2 2 308.510 3.436 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]Cc1nc2c(s1)CCCC2)C(C)(C)C ZINC001661411683 1196603433 /nfs/dbraw/zinc/60/34/33/1196603433.db2.gz LJWLAFWUVQVYJD-HNNXBMFYSA-N 2 2 309.523 3.478 20 0 DGADLP Cc1ncc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001661986094 1196670577 /nfs/dbraw/zinc/67/05/77/1196670577.db2.gz QRNIMSBYCDZXFC-UHFFFAOYSA-N 2 2 304.444 3.031 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188678 1196692200 /nfs/dbraw/zinc/69/22/00/1196692200.db2.gz VOBGNLMLENBUJF-KBPBESRZSA-N 2 2 324.900 3.299 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188678 1196692203 /nfs/dbraw/zinc/69/22/03/1196692203.db2.gz VOBGNLMLENBUJF-KBPBESRZSA-N 2 2 324.900 3.299 20 0 DGADLP COc1ccc(C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000079000612 1196847455 /nfs/dbraw/zinc/84/74/55/1196847455.db2.gz NZSMAWIPWFYPOV-KRWDZBQOSA-N 2 2 301.434 3.405 20 0 DGADLP CC[N@@H+]1CCC[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001664450148 1197000354 /nfs/dbraw/zinc/00/03/54/1197000354.db2.gz AVJIKELYURJIGC-SFHVURJKSA-N 2 2 307.526 3.107 20 0 DGADLP CC[N@H+]1CCC[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001664450148 1197000359 /nfs/dbraw/zinc/00/03/59/1197000359.db2.gz AVJIKELYURJIGC-SFHVURJKSA-N 2 2 307.526 3.107 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479505 1197004224 /nfs/dbraw/zinc/00/42/24/1197004224.db2.gz KUAAJOSCKYFQCT-IAGOWNOFSA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C12CCCC2 ZINC001664479505 1197004226 /nfs/dbraw/zinc/00/42/26/1197004226.db2.gz KUAAJOSCKYFQCT-IAGOWNOFSA-N 2 2 308.510 3.436 20 0 DGADLP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102169 1197097677 /nfs/dbraw/zinc/09/76/77/1197097677.db2.gz NPNPUKHADNBLFG-ROUUACIJSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102169 1197097682 /nfs/dbraw/zinc/09/76/82/1197097682.db2.gz NPNPUKHADNBLFG-ROUUACIJSA-N 2 2 308.510 3.390 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001665189618 1197106964 /nfs/dbraw/zinc/10/69/64/1197106964.db2.gz JWNPTQATXLHDRA-WNHJNPCNSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001665189618 1197106966 /nfs/dbraw/zinc/10/69/66/1197106966.db2.gz JWNPTQATXLHDRA-WNHJNPCNSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001665189615 1197107100 /nfs/dbraw/zinc/10/71/00/1197107100.db2.gz JWNPTQATXLHDRA-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001665189615 1197107105 /nfs/dbraw/zinc/10/71/05/1197107105.db2.gz JWNPTQATXLHDRA-KANFNMMFSA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879912 1197210664 /nfs/dbraw/zinc/21/06/64/1197210664.db2.gz HMGJUHRMMBNKBH-DLBZAZTESA-N 2 2 308.510 3.436 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C12CCCCC2 ZINC001665879912 1197210665 /nfs/dbraw/zinc/21/06/65/1197210665.db2.gz HMGJUHRMMBNKBH-DLBZAZTESA-N 2 2 308.510 3.436 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+]C1CC(C(=O)OC)C1)c1ccccc1 ZINC001665915248 1197216488 /nfs/dbraw/zinc/21/64/88/1197216488.db2.gz DWBCYSHUKOWTQZ-ABHNRTSZSA-N 2 2 318.461 3.001 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+]C1CC(C(=O)OC)C1)c1ccccc1 ZINC001665915249 1197216791 /nfs/dbraw/zinc/21/67/91/1197216791.db2.gz DWBCYSHUKOWTQZ-DAWZGUTISA-N 2 2 318.461 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CCCCCF)c(C)[nH+]1 ZINC001676391630 1198308298 /nfs/dbraw/zinc/30/82/98/1198308298.db2.gz MSSIACRWWUISJU-HNNXBMFYSA-N 2 2 323.456 3.197 20 0 DGADLP COC[C@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301396762 1199436931 /nfs/dbraw/zinc/43/69/31/1199436931.db2.gz GKENPOUAEIRLBF-ZDUSSCGKSA-N 2 2 319.836 3.045 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000111925641 1199637890 /nfs/dbraw/zinc/63/78/90/1199637890.db2.gz MIRQZQCVAQRJLG-QGZVFWFLSA-N 2 2 310.441 3.307 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000111925641 1199637896 /nfs/dbraw/zinc/63/78/96/1199637896.db2.gz MIRQZQCVAQRJLG-QGZVFWFLSA-N 2 2 310.441 3.307 20 0 DGADLP C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305702652 1199685022 /nfs/dbraw/zinc/68/50/22/1199685022.db2.gz DITSVDXYHJWQEV-JXFKEZNVSA-N 2 2 321.424 3.474 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732136 1199708895 /nfs/dbraw/zinc/70/88/95/1199708895.db2.gz NWTBVGVEEXINAE-NHCUHLMSSA-N 2 2 323.484 3.153 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732136 1199708902 /nfs/dbraw/zinc/70/89/02/1199708902.db2.gz NWTBVGVEEXINAE-NHCUHLMSSA-N 2 2 323.484 3.153 20 0 DGADLP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754700990 1200453020 /nfs/dbraw/zinc/45/30/20/1200453020.db2.gz PJYQDSBGDWSIFI-LJQANCHMSA-N 2 2 317.477 3.249 20 0 DGADLP CCCC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754923463 1200537955 /nfs/dbraw/zinc/53/79/55/1200537955.db2.gz PMBNBETWLVGALM-QGZVFWFLSA-N 2 2 317.477 3.249 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755597305 1200977447 /nfs/dbraw/zinc/97/74/47/1200977447.db2.gz UWCHYVPLWDPECV-HNNXBMFYSA-N 2 2 303.450 3.023 20 0 DGADLP Brc1cccc(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000211496536 1201154821 /nfs/dbraw/zinc/15/48/21/1201154821.db2.gz OPFZUZRJNYTEEC-MRXNPFEDSA-N 2 2 323.278 3.381 20 0 DGADLP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699028821 1201695091 /nfs/dbraw/zinc/69/50/91/1201695091.db2.gz MTYBUJNMKQVKBT-SJORKVTESA-N 2 2 317.477 3.295 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)C)C2)c(C)[nH+]1 ZINC001752746380 1201905619 /nfs/dbraw/zinc/90/56/19/1201905619.db2.gz RQQGGTVKKZJELN-CALCHBBNSA-N 2 2 317.477 3.293 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1Br ZINC000217919441 1202534242 /nfs/dbraw/zinc/53/42/42/1202534242.db2.gz OGRQVBSUEZRXBV-GOOCMWNKSA-N 2 2 323.278 3.206 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1Br ZINC000217919441 1202534244 /nfs/dbraw/zinc/53/42/44/1202534244.db2.gz OGRQVBSUEZRXBV-GOOCMWNKSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)sc2C1 ZINC000152901721 1202595455 /nfs/dbraw/zinc/59/54/55/1202595455.db2.gz MOPZLFSPBRWPJL-MCIONIFRSA-N 2 2 307.507 3.230 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001713325363 1202639325 /nfs/dbraw/zinc/63/93/25/1202639325.db2.gz QAJDHEZGWALBJH-HNNXBMFYSA-N 2 2 317.477 3.295 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000237206572 1202657533 /nfs/dbraw/zinc/65/75/33/1202657533.db2.gz DDUCARRSGQEYRE-UHFFFAOYSA-N 2 2 302.418 3.023 20 0 DGADLP CCCC[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714071490 1202762548 /nfs/dbraw/zinc/76/25/48/1202762548.db2.gz GTOYPMOTXZZLSJ-QGZVFWFLSA-N 2 2 317.477 3.249 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714697152 1203103196 /nfs/dbraw/zinc/10/31/96/1203103196.db2.gz ACCSGAOISFYKOX-DOMZBBRYSA-N 2 2 305.466 3.103 20 0 DGADLP CC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001714839873 1203147635 /nfs/dbraw/zinc/14/76/35/1203147635.db2.gz SXCSAWIRBNABSO-QGZVFWFLSA-N 2 2 311.429 3.087 20 0 DGADLP CCC/C=C\CC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716400493 1203466758 /nfs/dbraw/zinc/46/67/58/1203466758.db2.gz CQRCFKGLJFWOCK-GEXIGZQTSA-N 2 2 314.433 3.017 20 0 DGADLP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716483522 1203486692 /nfs/dbraw/zinc/48/66/92/1203486692.db2.gz HYXZQNOKOVIZBO-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)CCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716483522 1203486693 /nfs/dbraw/zinc/48/66/93/1203486693.db2.gz HYXZQNOKOVIZBO-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(C)C1 ZINC001731807000 1204573451 /nfs/dbraw/zinc/57/34/51/1204573451.db2.gz TXNBFXZEZIENFJ-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(C)C1 ZINC001731807000 1204573453 /nfs/dbraw/zinc/57/34/53/1204573453.db2.gz TXNBFXZEZIENFJ-UHFFFAOYSA-N 2 2 317.477 3.105 20 0 DGADLP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047001 1204999192 /nfs/dbraw/zinc/99/91/92/1204999192.db2.gz ONXKDSCFTLZFET-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047001 1204999195 /nfs/dbraw/zinc/99/91/95/1204999195.db2.gz ONXKDSCFTLZFET-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP COc1ccc2[nH+]c(N(C)CC3CC[NH+](C)CC3)cc(C)c2c1 ZINC001165041202 721934052 /nfs/dbraw/zinc/93/40/52/721934052.db2.gz KEILIVLMZPMLJY-UHFFFAOYSA-N 2 2 313.445 3.330 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000052049560 1081574940 /nfs/dbraw/zinc/57/49/40/1081574940.db2.gz ZPUIFZYDNOJJRP-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP Cc1ccc2c(C)cc(N3CCc4[nH+]ccn4CC3)[nH+]c2c1C ZINC001167181295 1081790423 /nfs/dbraw/zinc/79/04/23/1081790423.db2.gz YDWQWHYOIVMRIH-UHFFFAOYSA-N 2 2 306.413 3.419 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(N[C@H]3CC[N@H+](C)C3)ccc21 ZINC001167284818 1081903763 /nfs/dbraw/zinc/90/37/63/1081903763.db2.gz SXEXLJIFVJZBBC-HNNXBMFYSA-N 2 2 322.412 3.150 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(N[C@H]3CC[N@@H+](C)C3)ccc21 ZINC001167284818 1081903767 /nfs/dbraw/zinc/90/37/67/1081903767.db2.gz SXEXLJIFVJZBBC-HNNXBMFYSA-N 2 2 322.412 3.150 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)cs1 ZINC001204031933 1081931639 /nfs/dbraw/zinc/93/16/39/1081931639.db2.gz SKOHDXZNUOXIGQ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)cs1 ZINC001204031933 1081931645 /nfs/dbraw/zinc/93/16/45/1081931645.db2.gz SKOHDXZNUOXIGQ-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3cccc(F)c3C)CC2)CC1 ZINC001204512364 1081983790 /nfs/dbraw/zinc/98/37/90/1081983790.db2.gz DTSGCUYFMKZXQY-UHFFFAOYSA-N 2 2 320.452 3.209 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C[NH2+]1 ZINC000399072737 1082263595 /nfs/dbraw/zinc/26/35/95/1082263595.db2.gz OJRMIOPAGLZBKO-VQIMIIECSA-N 2 2 310.441 3.496 20 0 DGADLP Cc1[nH+]c2c(n1[C@H](C)Cc1ccccc1Cl)CC[NH2+]CC2 ZINC001170277223 1082340037 /nfs/dbraw/zinc/34/00/37/1082340037.db2.gz RCZCOKOSZKUEGF-GFCCVEGCSA-N 2 2 303.837 3.337 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000092066968 1082434317 /nfs/dbraw/zinc/43/43/17/1082434317.db2.gz LESBRXODFAQLNC-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000092066968 1082434324 /nfs/dbraw/zinc/43/43/24/1082434324.db2.gz LESBRXODFAQLNC-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000092066968 1082434328 /nfs/dbraw/zinc/43/43/28/1082434328.db2.gz LESBRXODFAQLNC-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000092066968 1082434333 /nfs/dbraw/zinc/43/43/33/1082434333.db2.gz LESBRXODFAQLNC-QAPCUYQASA-N 2 2 318.436 3.283 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC001167508584 1082465578 /nfs/dbraw/zinc/46/55/78/1082465578.db2.gz HFDXKCBICIHOGB-NUJGCVRESA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)o1 ZINC001167508584 1082465584 /nfs/dbraw/zinc/46/55/84/1082465584.db2.gz HFDXKCBICIHOGB-NUJGCVRESA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC001167508584 1082465587 /nfs/dbraw/zinc/46/55/87/1082465587.db2.gz HFDXKCBICIHOGB-NUJGCVRESA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)o1 ZINC001167508584 1082465590 /nfs/dbraw/zinc/46/55/90/1082465590.db2.gz HFDXKCBICIHOGB-NUJGCVRESA-N 2 2 322.493 3.316 20 0 DGADLP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267136110 1082552806 /nfs/dbraw/zinc/55/28/06/1082552806.db2.gz RQYNAAQYQWVJJV-AWEZNQCLSA-N 2 2 303.450 3.071 20 0 DGADLP CCC1CCC([N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001167586197 1082564540 /nfs/dbraw/zinc/56/45/40/1082564540.db2.gz IVBFFEVNTKGNBU-LYBXBRPPSA-N 2 2 318.505 3.380 20 0 DGADLP CCC1CCC([N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001167586197 1082564545 /nfs/dbraw/zinc/56/45/45/1082564545.db2.gz IVBFFEVNTKGNBU-LYBXBRPPSA-N 2 2 318.505 3.380 20 0 DGADLP CCC1CCC([NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001167586197 1082564551 /nfs/dbraw/zinc/56/45/51/1082564551.db2.gz IVBFFEVNTKGNBU-LYBXBRPPSA-N 2 2 318.505 3.380 20 0 DGADLP CCC1CCC([NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001167586197 1082564554 /nfs/dbraw/zinc/56/45/54/1082564554.db2.gz IVBFFEVNTKGNBU-LYBXBRPPSA-N 2 2 318.505 3.380 20 0 DGADLP CSc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(C)[nH+]1 ZINC001158259721 1082649808 /nfs/dbraw/zinc/64/98/08/1082649808.db2.gz ROLIDWJSHZAVCL-WBMJQRKESA-N 2 2 308.495 3.463 20 0 DGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)C ZINC001480988896 1083063274 /nfs/dbraw/zinc/06/32/74/1083063274.db2.gz WXTZOAGDYYIFSJ-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC(C)C ZINC001480988896 1083063279 /nfs/dbraw/zinc/06/32/79/1083063279.db2.gz WXTZOAGDYYIFSJ-UHFFFAOYSA-N 2 2 305.466 3.105 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206075336 1083072268 /nfs/dbraw/zinc/07/22/68/1083072268.db2.gz GWYPJPKIZQDOGL-FZKQIMNGSA-N 2 2 314.404 3.280 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206075336 1083072273 /nfs/dbraw/zinc/07/22/73/1083072273.db2.gz GWYPJPKIZQDOGL-FZKQIMNGSA-N 2 2 314.404 3.280 20 0 DGADLP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227714 1083258245 /nfs/dbraw/zinc/25/82/45/1083258245.db2.gz JJZVELXDNGPGQS-GJZGRUSLSA-N 2 2 322.497 3.042 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000311052525 1083271804 /nfs/dbraw/zinc/27/18/04/1083271804.db2.gz QYHZKSWSQIZWSR-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000311052525 1083271809 /nfs/dbraw/zinc/27/18/09/1083271809.db2.gz QYHZKSWSQIZWSR-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP CCCC[NH+](CCCC)CCNc1cc[nH+]c(C(=O)OC)c1C ZINC001167735036 1083313658 /nfs/dbraw/zinc/31/36/58/1083313658.db2.gz UUFKMEWUZAXGBF-UHFFFAOYSA-N 2 2 321.465 3.491 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000689869284 1083319077 /nfs/dbraw/zinc/31/90/77/1083319077.db2.gz LRVXCTKCQKSAAG-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000689869284 1083319081 /nfs/dbraw/zinc/31/90/81/1083319081.db2.gz LRVXCTKCQKSAAG-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC001181817605 1083556082 /nfs/dbraw/zinc/55/60/82/1083556082.db2.gz AHQUYQCHLKTLAJ-SWLSCSKDSA-N 2 2 313.283 3.310 20 0 DGADLP Cc1nc(NCCC[N@H+]2CCCC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001167751834 1083626053 /nfs/dbraw/zinc/62/60/53/1083626053.db2.gz POHOAQBIQJJYTL-AWEZNQCLSA-N 2 2 302.466 3.340 20 0 DGADLP Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001167751834 1083626057 /nfs/dbraw/zinc/62/60/57/1083626057.db2.gz POHOAQBIQJJYTL-AWEZNQCLSA-N 2 2 302.466 3.340 20 0 DGADLP CCCCC[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267995090 1083709112 /nfs/dbraw/zinc/70/91/12/1083709112.db2.gz BUUMVNVUBJZKIJ-CYBMUJFWSA-N 2 2 305.466 3.153 20 0 DGADLP CCc1cccc(Nc2cccc(CC[NH+]3CCOCC3)c2)[nH+]1 ZINC001204342677 1083722130 /nfs/dbraw/zinc/72/21/30/1083722130.db2.gz GOZGXYKHQCHBQM-UHFFFAOYSA-N 2 2 311.429 3.262 20 0 DGADLP COCC1(CC[NH2+][C@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001182533403 1083748726 /nfs/dbraw/zinc/74/87/26/1083748726.db2.gz PJSDZPQBMOWOAJ-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001182533403 1083748738 /nfs/dbraw/zinc/74/87/38/1083748738.db2.gz PJSDZPQBMOWOAJ-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC001182545997 1083751461 /nfs/dbraw/zinc/75/14/61/1083751461.db2.gz YSLNSCOZBUYWCH-GJZGRUSLSA-N 2 2 306.475 3.004 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC001182545997 1083751468 /nfs/dbraw/zinc/75/14/68/1083751468.db2.gz YSLNSCOZBUYWCH-GJZGRUSLSA-N 2 2 306.475 3.004 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Br)s2)CC1 ZINC001205266444 1083932341 /nfs/dbraw/zinc/93/23/41/1083932341.db2.gz UUPIPQJBLBQYIB-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Br)s2)CC1 ZINC001205266444 1083932349 /nfs/dbraw/zinc/93/23/49/1083932349.db2.gz UUPIPQJBLBQYIB-LBPRGKRZSA-N 2 2 303.269 3.214 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001167835715 1084158359 /nfs/dbraw/zinc/15/83/59/1084158359.db2.gz UDANGJGKCZCLGS-ZWKOTPCHSA-N 3 2 319.493 3.354 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001167835715 1084158360 /nfs/dbraw/zinc/15/83/60/1084158360.db2.gz UDANGJGKCZCLGS-ZWKOTPCHSA-N 3 2 319.493 3.354 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204675785 1084320845 /nfs/dbraw/zinc/32/08/45/1084320845.db2.gz XBCQWWUWDIQUHH-UHFFFAOYSA-N 2 2 310.441 3.369 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC001204675785 1084320854 /nfs/dbraw/zinc/32/08/54/1084320854.db2.gz XBCQWWUWDIQUHH-UHFFFAOYSA-N 2 2 310.441 3.369 20 0 DGADLP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001186023069 1084571975 /nfs/dbraw/zinc/57/19/75/1084571975.db2.gz QEZVNWZSEJIADM-HNNXBMFYSA-N 2 2 307.319 3.121 20 0 DGADLP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001186023069 1084571986 /nfs/dbraw/zinc/57/19/86/1084571986.db2.gz QEZVNWZSEJIADM-HNNXBMFYSA-N 2 2 307.319 3.121 20 0 DGADLP CSc1ccc(NC(=[NH2+])SCC[NH3+])c(C(F)(F)F)c1 ZINC001167914841 1084644905 /nfs/dbraw/zinc/64/49/05/1084644905.db2.gz AHPBJMRBRPEUEX-UHFFFAOYSA-N 2 2 309.382 3.466 20 0 DGADLP CCN(CC[NH2+]CCCC(C)C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001268469822 1084673804 /nfs/dbraw/zinc/67/38/04/1084673804.db2.gz KQDDSJGLNYYOLC-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP F[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCC1(F)F ZINC001167982872 1085935855 /nfs/dbraw/zinc/93/58/55/1085935855.db2.gz CYTZVGOLAPMAAW-VFSICIBPSA-N 2 2 316.411 3.461 20 0 DGADLP F[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCC1(F)F ZINC001167982872 1085935867 /nfs/dbraw/zinc/93/58/67/1085935867.db2.gz CYTZVGOLAPMAAW-VFSICIBPSA-N 2 2 316.411 3.461 20 0 DGADLP F[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1(F)F ZINC001167982872 1085935874 /nfs/dbraw/zinc/93/58/74/1085935874.db2.gz CYTZVGOLAPMAAW-VFSICIBPSA-N 2 2 316.411 3.461 20 0 DGADLP F[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1(F)F ZINC001167982872 1085935885 /nfs/dbraw/zinc/93/58/85/1085935885.db2.gz CYTZVGOLAPMAAW-VFSICIBPSA-N 2 2 316.411 3.461 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168005686 1086149813 /nfs/dbraw/zinc/14/98/13/1086149813.db2.gz KCWQKUGDUAALKV-IZZQQSIFSA-N 2 2 324.472 3.316 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168005686 1086149818 /nfs/dbraw/zinc/14/98/18/1086149818.db2.gz KCWQKUGDUAALKV-IZZQQSIFSA-N 2 2 324.472 3.316 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012961 1086248308 /nfs/dbraw/zinc/24/83/08/1086248308.db2.gz GHADUZZNFHIWDL-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012961 1086248317 /nfs/dbraw/zinc/24/83/17/1086248317.db2.gz GHADUZZNFHIWDL-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP Cc1nccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168023042 1086409586 /nfs/dbraw/zinc/40/95/86/1086409586.db2.gz USITXIWGCNDMIP-HOTGVXAUSA-N 2 2 324.472 3.316 20 0 DGADLP CC(=O)[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056611 1086626521 /nfs/dbraw/zinc/62/65/21/1086626521.db2.gz GQVYCQSWIZJFIY-TXPKVOOTSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056611 1086626527 /nfs/dbraw/zinc/62/65/27/1086626527.db2.gz GQVYCQSWIZJFIY-TXPKVOOTSA-N 2 2 314.473 3.339 20 0 DGADLP CCN(C1C[NH+](C)C1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058230 1086632195 /nfs/dbraw/zinc/63/21/95/1086632195.db2.gz PIJAYQRPUDUWGL-IZZQQSIFSA-N 2 2 315.505 3.064 20 0 DGADLP CCN(C1C[NH+](C)C1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058230 1086632198 /nfs/dbraw/zinc/63/21/98/1086632198.db2.gz PIJAYQRPUDUWGL-IZZQQSIFSA-N 2 2 315.505 3.064 20 0 DGADLP CC[NH+](C1CN(C)C1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058230 1086632207 /nfs/dbraw/zinc/63/22/07/1086632207.db2.gz PIJAYQRPUDUWGL-IZZQQSIFSA-N 2 2 315.505 3.064 20 0 DGADLP CC[NH+](C1CN(C)C1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058230 1086632208 /nfs/dbraw/zinc/63/22/08/1086632208.db2.gz PIJAYQRPUDUWGL-IZZQQSIFSA-N 2 2 315.505 3.064 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001168071681 1086727370 /nfs/dbraw/zinc/72/73/70/1086727370.db2.gz LPHFRMDRZTUCEF-FXAWDEMLSA-N 2 2 316.489 3.098 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CC[C@@H](C)F)C(C)C)c(C)[nH+]1 ZINC001482544076 1086838984 /nfs/dbraw/zinc/83/89/84/1086838984.db2.gz XMZZUPSKPYDMCJ-CJNGLKHVSA-N 2 2 323.456 3.099 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140395 1086976816 /nfs/dbraw/zinc/97/68/16/1086976816.db2.gz FKHWDQYIXNRSFP-YJBOKZPZSA-N 2 2 320.452 3.289 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CCO1 ZINC001168140395 1086976818 /nfs/dbraw/zinc/97/68/18/1086976818.db2.gz FKHWDQYIXNRSFP-YJBOKZPZSA-N 2 2 320.452 3.289 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000093564135 1087139581 /nfs/dbraw/zinc/13/95/81/1087139581.db2.gz OWPSGJJVSDMZNN-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000093564135 1087139583 /nfs/dbraw/zinc/13/95/83/1087139583.db2.gz OWPSGJJVSDMZNN-MRXNPFEDSA-N 2 2 306.425 3.285 20 0 DGADLP Fc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168365773 1087388230 /nfs/dbraw/zinc/38/82/30/1087388230.db2.gz WOHSSZDKQWDEKT-SFHVURJKSA-N 2 2 303.425 3.136 20 0 DGADLP CCCCCC[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001483151344 1087405716 /nfs/dbraw/zinc/40/57/16/1087405716.db2.gz CNNOBFRIQVFPFH-OAHLLOKOSA-N 2 2 305.466 3.295 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168415326 1087590605 /nfs/dbraw/zinc/59/06/05/1087590605.db2.gz NSQUBVNCABCJLP-MSOLQXFVSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168415326 1087590608 /nfs/dbraw/zinc/59/06/08/1087590608.db2.gz NSQUBVNCABCJLP-MSOLQXFVSA-N 2 2 304.453 3.393 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168421799 1087609199 /nfs/dbraw/zinc/60/91/99/1087609199.db2.gz TWCOVFIVDFNQLE-PMACEKPBSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCc2cc(F)ccc2C1 ZINC001168421799 1087609201 /nfs/dbraw/zinc/60/92/01/1087609201.db2.gz TWCOVFIVDFNQLE-PMACEKPBSA-N 2 2 310.416 3.069 20 0 DGADLP Cc1[nH+]cn([C@@H](C)Cc2cccc(F)c2)c1CSCC[NH3+] ZINC001168460349 1087848682 /nfs/dbraw/zinc/84/86/82/1087848682.db2.gz SDVXBLWBAMPEDB-LBPRGKRZSA-N 2 2 307.438 3.326 20 0 DGADLP CCc1cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC001158523148 1087889490 /nfs/dbraw/zinc/88/94/90/1087889490.db2.gz GTFAMWBCZQEJCT-HZPDHXFCSA-N 2 2 324.472 3.447 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1Br ZINC001235032956 1088162008 /nfs/dbraw/zinc/16/20/08/1088162008.db2.gz MZIAFWSMSASRLE-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1Br ZINC001235032956 1088162015 /nfs/dbraw/zinc/16/20/15/1088162015.db2.gz MZIAFWSMSASRLE-MRXNPFEDSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c(C)c(C)[nH+]1 ZINC001159546023 1088388513 /nfs/dbraw/zinc/38/85/13/1088388513.db2.gz IBWBDCUNTSBXKF-UHFFFAOYSA-N 2 2 314.477 3.136 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159856105 1088520030 /nfs/dbraw/zinc/52/00/30/1088520030.db2.gz LOZYADSUFLLPKG-UHFFFAOYSA-N 2 2 308.429 3.421 20 0 DGADLP CCc1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc(C)[nH+]1 ZINC001159949559 1088568136 /nfs/dbraw/zinc/56/81/36/1088568136.db2.gz QVHNWRDOUIMGQA-CYBMUJFWSA-N 2 2 306.413 3.107 20 0 DGADLP Cc1ccc(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC001160116773 1088646350 /nfs/dbraw/zinc/64/63/50/1088646350.db2.gz NGMYEBZZIVCZRN-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP Cc1[nH+]cc(Nc2ccccc2OCC2CC[NH2+]CC2)cc1N ZINC001160188229 1088692142 /nfs/dbraw/zinc/69/21/42/1088692142.db2.gz QIZDAGHXCUXGNA-UHFFFAOYSA-N 2 2 312.417 3.094 20 0 DGADLP COc1cc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)cc(C)[nH+]1 ZINC001160220480 1088705120 /nfs/dbraw/zinc/70/51/20/1088705120.db2.gz TZEJLBJJEPFJKN-QGZVFWFLSA-N 2 2 313.401 3.273 20 0 DGADLP c1cn2ccc(Nc3cccc(O[C@@H]4CCC[NH2+]C4)c3)cc2[nH+]1 ZINC001160219231 1088705316 /nfs/dbraw/zinc/70/53/16/1088705316.db2.gz IGZWKZKEYRNCNL-QGZVFWFLSA-N 2 2 308.385 3.209 20 0 DGADLP c1cn2ccc(Nc3ccccc3O[C@@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001160234726 1088714275 /nfs/dbraw/zinc/71/42/75/1088714275.db2.gz YGZKTTHWDZOELW-OAHLLOKOSA-N 2 2 308.385 3.209 20 0 DGADLP C[N@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215821 1088714759 /nfs/dbraw/zinc/71/47/59/1088714759.db2.gz YFGDCIZBARVURW-ZIAGYGMSSA-N 2 2 315.230 3.290 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215821 1088714778 /nfs/dbraw/zinc/71/47/78/1088714778.db2.gz YFGDCIZBARVURW-ZIAGYGMSSA-N 2 2 315.230 3.290 20 0 DGADLP c1ccc(Nc2cccc3cc[nH+]cc32)c(CN2CC[NH2+]CC2)c1 ZINC001160296896 1088745797 /nfs/dbraw/zinc/74/57/97/1088745797.db2.gz LUVGLGDJZHULFE-UHFFFAOYSA-N 2 2 318.424 3.384 20 0 DGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC001155023879 1088899378 /nfs/dbraw/zinc/89/93/78/1088899378.db2.gz FYSFRCMFZRKSFJ-OLZOCXBDSA-N 2 2 309.417 3.159 20 0 DGADLP Cc1cc2ccccc2c(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)[nH+]1 ZINC001160723365 1088931874 /nfs/dbraw/zinc/93/18/74/1088931874.db2.gz FZDIIHJHNWCISS-ROUUACIJSA-N 2 2 311.429 3.208 20 0 DGADLP COC(=O)c1ccc2cc[nH+]c(NCc3ccccc3C[NH3+])c2c1 ZINC001160906418 1089010971 /nfs/dbraw/zinc/01/09/71/1089010971.db2.gz XLIPFFWJAKVYRC-UHFFFAOYSA-N 2 2 321.380 3.092 20 0 DGADLP COc1cc2[nH+]c(NCC[C@H]3CCC[N@@H+]3C)ccc2c(OC)c1 ZINC001160968512 1089051494 /nfs/dbraw/zinc/05/14/94/1089051494.db2.gz OLVDOAKFUNNGEZ-CYBMUJFWSA-N 2 2 315.417 3.148 20 0 DGADLP COc1cc2[nH+]c(NCC[C@H]3CCC[N@H+]3C)ccc2c(OC)c1 ZINC001160968512 1089051508 /nfs/dbraw/zinc/05/15/08/1089051508.db2.gz OLVDOAKFUNNGEZ-CYBMUJFWSA-N 2 2 315.417 3.148 20 0 DGADLP CCC(CC)[NH+]1CCC(Nc2cc(N(CC)CC)[nH+]cn2)CC1 ZINC001161097816 1089112025 /nfs/dbraw/zinc/11/20/25/1089112025.db2.gz DDFBWZAPFUEDQS-UHFFFAOYSA-N 2 2 319.497 3.388 20 0 DGADLP CCC(CC)[NH+]1CCC(Nc2cc(N(CC)CC)nc[nH+]2)CC1 ZINC001161097816 1089112032 /nfs/dbraw/zinc/11/20/32/1089112032.db2.gz DDFBWZAPFUEDQS-UHFFFAOYSA-N 2 2 319.497 3.388 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c(N)c1 ZINC001161182914 1089144308 /nfs/dbraw/zinc/14/43/08/1089144308.db2.gz ZMTQWBSEIKINQZ-HNNXBMFYSA-N 2 2 316.836 3.312 20 0 DGADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c(N)c1 ZINC001161182914 1089144312 /nfs/dbraw/zinc/14/43/12/1089144312.db2.gz ZMTQWBSEIKINQZ-HNNXBMFYSA-N 2 2 316.836 3.312 20 0 DGADLP Cc1cc(N[C@H]2C[NH2+]Cc3ccsc32)nc(C(C)(C)C)[nH+]1 ZINC001155565425 1089167537 /nfs/dbraw/zinc/16/75/37/1089167537.db2.gz OFKMBTJDYHUJEZ-LBPRGKRZSA-N 2 2 302.447 3.400 20 0 DGADLP Cc1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]c2ccccc12 ZINC001155599241 1089179635 /nfs/dbraw/zinc/17/96/35/1089179635.db2.gz SBGAXBFLFNMFLR-DNVCBOLYSA-N 2 2 311.429 3.114 20 0 DGADLP Clc1ccc2c(cc[nH+]c2N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001155618187 1089189027 /nfs/dbraw/zinc/18/90/27/1089189027.db2.gz LMCBMVYGQCHMJS-WMLDXEAASA-N 2 2 317.820 3.211 20 0 DGADLP Cc1cccc2c(C)cc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC001155622033 1089190504 /nfs/dbraw/zinc/19/05/04/1089190504.db2.gz XXOKQCWVTACJGP-BEFAXECRSA-N 2 2 311.429 3.175 20 0 DGADLP CC[NH+](CC)Cc1cc(OC)ccc1NCCCn1cc[nH+]c1 ZINC001161689281 1089350282 /nfs/dbraw/zinc/35/02/82/1089350282.db2.gz MRIPUDWRSVOABR-UHFFFAOYSA-N 2 2 316.449 3.236 20 0 DGADLP CCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001484644257 1089560366 /nfs/dbraw/zinc/56/03/66/1089560366.db2.gz YJPFLOIKCAALJL-UHFFFAOYSA-N 2 2 303.450 3.049 20 0 DGADLP FC(F)(F)c1c[nH+]ccc1NCCCCNc1cccc[nH+]1 ZINC001162361474 1089695964 /nfs/dbraw/zinc/69/59/64/1089695964.db2.gz QAENPZHICSPTQS-UHFFFAOYSA-N 2 2 310.323 3.222 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc(-c2ccccc2)[nH+]1 ZINC001162454206 1089737544 /nfs/dbraw/zinc/73/75/44/1089737544.db2.gz NOJPHHCSVYAGAX-YOEHRIQHSA-N 2 2 310.445 3.500 20 0 DGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001162461339 1089745584 /nfs/dbraw/zinc/74/55/84/1089745584.db2.gz OSJZCQLABZEWLW-NVXWUHKLSA-N 2 2 310.445 3.115 20 0 DGADLP C[C@@H]1C[C@@H](CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)C[NH2+]1 ZINC001162556884 1089788565 /nfs/dbraw/zinc/78/85/65/1089788565.db2.gz ZNHIJCNTEBRBJE-HUUCEWRRSA-N 2 2 306.413 3.435 20 0 DGADLP CCCc1cc(NC[C@]2(F)CCCC[NH2+]C2)nc(CCC)[nH+]1 ZINC001162579987 1089806616 /nfs/dbraw/zinc/80/66/16/1089806616.db2.gz LLMQKDKKJUZXHD-KRWDZBQOSA-N 2 2 308.445 3.275 20 0 DGADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1nc2ccccc2n2c[nH+]cc12 ZINC001162631326 1089844042 /nfs/dbraw/zinc/84/40/42/1089844042.db2.gz DODJZGSWBHEQOC-OAHLLOKOSA-N 2 2 323.444 3.193 20 0 DGADLP CN(CC[C@H]1CCCC[N@H+]1C)c1nc2ccccc2n2c[nH+]cc12 ZINC001162631326 1089844055 /nfs/dbraw/zinc/84/40/55/1089844055.db2.gz DODJZGSWBHEQOC-OAHLLOKOSA-N 2 2 323.444 3.193 20 0 DGADLP CCc1cc(-n2cc(CC[NH3+])c3c2cccc3Cl)nc(C)[nH+]1 ZINC001162658626 1089865119 /nfs/dbraw/zinc/86/51/19/1089865119.db2.gz FLEXKGHQHRCSDJ-UHFFFAOYSA-N 2 2 314.820 3.446 20 0 DGADLP CCc1cc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)nc(C)[nH+]1 ZINC001157436340 1089966107 /nfs/dbraw/zinc/96/61/07/1089966107.db2.gz WXFJZDOXMUASQH-GOSISDBHSA-N 2 2 310.445 3.106 20 0 DGADLP COc1cc(NCC[C@H]2CC[NH2+]CC2(F)F)[nH+]c2ccccc21 ZINC001162811765 1089969459 /nfs/dbraw/zinc/96/94/59/1089969459.db2.gz FDKJRXWEZDIKKO-GFCCVEGCSA-N 2 2 321.371 3.290 20 0 DGADLP COc1ccc2c[nH+]c(NCC[C@H]3CC[NH2+]CC3(F)F)cc2c1 ZINC001162813220 1089972276 /nfs/dbraw/zinc/97/22/76/1089972276.db2.gz SRVKVLIWQIJHBL-CQSZACIVSA-N 2 2 321.371 3.290 20 0 DGADLP CCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001485175421 1090013092 /nfs/dbraw/zinc/01/30/92/1090013092.db2.gz QRXZMHPMWIIWSG-GJZGRUSLSA-N 2 2 305.466 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCCC(C)C)c(C)[nH+]1 ZINC001162909599 1090019230 /nfs/dbraw/zinc/01/92/30/1090019230.db2.gz AXWKWQCPLUTTNP-UHFFFAOYSA-N 2 2 305.466 3.153 20 0 DGADLP Cc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ccc1[NH+](C)C ZINC001162967650 1090039495 /nfs/dbraw/zinc/03/94/95/1090039495.db2.gz SRUZPJICGZFCTL-QGZVFWFLSA-N 2 2 317.477 3.022 20 0 DGADLP Brc1ccc2[nH]c(N[C@@]34CCC[C@@H]3[NH2+]CC4)[nH+]c2c1 ZINC001162984681 1090045787 /nfs/dbraw/zinc/04/57/87/1090045787.db2.gz PNIOZHUWAUOLRY-GXTWGEPZSA-N 2 2 321.222 3.022 20 0 DGADLP Cc1nc(N2CCC(C)([NH+]3CCCC3)CC2)cc(C(C)C)[nH+]1 ZINC001157652497 1090057751 /nfs/dbraw/zinc/05/77/51/1090057751.db2.gz RDGTZMVZSMRBNL-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1[NH+](C)C ZINC001163063734 1090068114 /nfs/dbraw/zinc/06/81/14/1090068114.db2.gz KYAJRBNRURHTJD-INIZCTEOSA-N 2 2 312.461 3.084 20 0 DGADLP Nc1ccc(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)[nH+]c1 ZINC001158147023 1090191198 /nfs/dbraw/zinc/19/11/98/1090191198.db2.gz IYRIEQPCUHFNCU-KOMQPUFPSA-N 2 2 314.408 3.079 20 0 DGADLP CCN(c1cc(C2CCCCC2)[nH+]c(C)n1)[C@@H]1CCC[NH2+]C1 ZINC001158205935 1090202018 /nfs/dbraw/zinc/20/20/18/1090202018.db2.gz XWQDFBMTNCEDPV-MRXNPFEDSA-N 2 2 302.466 3.411 20 0 DGADLP Cc1cc(C)cc(CNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001163752973 1090249410 /nfs/dbraw/zinc/24/94/10/1090249410.db2.gz DLMZRPANJNYATA-LJQANCHMSA-N 2 2 309.457 3.449 20 0 DGADLP Cc1cc(C)cc(CNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001163752973 1090249416 /nfs/dbraw/zinc/24/94/16/1090249416.db2.gz DLMZRPANJNYATA-LJQANCHMSA-N 2 2 309.457 3.449 20 0 DGADLP COC(=[NH2+])c1cccc(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001163914945 1090285673 /nfs/dbraw/zinc/28/56/73/1090285673.db2.gz MGKSSNCDKNSKPW-UHFFFAOYSA-N 2 2 324.428 3.132 20 0 DGADLP Cc1nc(N2C[C@H](C)CC[C@H]2C[NH3+])cc(C2CCCCC2)[nH+]1 ZINC001164072718 1090333537 /nfs/dbraw/zinc/33/35/37/1090333537.db2.gz BTTUOJMQZODTBE-CJNGLKHVSA-N 2 2 302.466 3.396 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])N(c2[nH+]c(N3CCCC3)cc3ccccc32)C1 ZINC001164079592 1090335734 /nfs/dbraw/zinc/33/57/34/1090335734.db2.gz VLQATMZXDWWYND-DOTOQJQBSA-N 2 2 324.472 3.399 20 0 DGADLP Cc1ccc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH+]c1C ZINC001165088648 1090463006 /nfs/dbraw/zinc/46/30/06/1090463006.db2.gz RZPPGBRDVZEULN-RTBURBONSA-N 2 2 307.441 3.409 20 0 DGADLP Cc1ccc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[nH+]c1C ZINC001165088648 1090463008 /nfs/dbraw/zinc/46/30/08/1090463008.db2.gz RZPPGBRDVZEULN-RTBURBONSA-N 2 2 307.441 3.409 20 0 DGADLP CCc1cc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC001165201330 1090478626 /nfs/dbraw/zinc/47/86/26/1090478626.db2.gz GTFAMWBCZQEJCT-HOTGVXAUSA-N 2 2 324.472 3.447 20 0 DGADLP CCc1cc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC001165201330 1090478633 /nfs/dbraw/zinc/47/86/33/1090478633.db2.gz GTFAMWBCZQEJCT-HOTGVXAUSA-N 2 2 324.472 3.447 20 0 DGADLP Cc1cc(N2CCCCC23CC[NH2+]CC3)nc(C(C)(C)C)[nH+]1 ZINC001165340234 1090508381 /nfs/dbraw/zinc/50/83/81/1090508381.db2.gz OAENNKMRYFCSHR-UHFFFAOYSA-N 2 2 302.466 3.195 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168587006 1090588591 /nfs/dbraw/zinc/58/85/91/1090588591.db2.gz UTOIYNBFVITVRS-HKUYNNGSSA-N 2 2 320.477 3.237 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168587006 1090588596 /nfs/dbraw/zinc/58/85/96/1090588596.db2.gz UTOIYNBFVITVRS-HKUYNNGSSA-N 2 2 320.477 3.237 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3ccc(NC)[nH+]c3)cc2)CC1 ZINC001203454716 1090737768 /nfs/dbraw/zinc/73/77/68/1090737768.db2.gz KKMYXQWIGQAOSK-UHFFFAOYSA-N 2 2 311.433 3.009 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001203796669 1090807185 /nfs/dbraw/zinc/80/71/85/1090807185.db2.gz RFMGOJBJBZQXHI-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001203796669 1090807188 /nfs/dbraw/zinc/80/71/88/1090807188.db2.gz RFMGOJBJBZQXHI-OAHLLOKOSA-N 2 2 316.376 3.191 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C)c(C)[nH+]1 ZINC001486405678 1090828694 /nfs/dbraw/zinc/82/86/94/1090828694.db2.gz OOFDPICCAVXFBL-OAHLLOKOSA-N 2 2 323.456 3.101 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC001203910861 1090836280 /nfs/dbraw/zinc/83/62/80/1090836280.db2.gz AJMDXVOETQVDRY-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC001203910861 1090836286 /nfs/dbraw/zinc/83/62/86/1090836286.db2.gz AJMDXVOETQVDRY-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001203916712 1090838999 /nfs/dbraw/zinc/83/89/99/1090838999.db2.gz QODDCTHTSUGTBC-OALUTQOASA-N 2 2 310.416 3.390 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204176002 1090914008 /nfs/dbraw/zinc/91/40/08/1090914008.db2.gz KFVARGHVMXBFIU-NHCUHLMSSA-N 2 2 321.468 3.208 20 0 DGADLP CCOc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001204361770 1090957061 /nfs/dbraw/zinc/95/70/61/1090957061.db2.gz LOPIHMUOCAZKBX-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CCOc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1OC ZINC001204361770 1090957064 /nfs/dbraw/zinc/95/70/64/1090957064.db2.gz LOPIHMUOCAZKBX-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC001204393141 1090961101 /nfs/dbraw/zinc/96/11/01/1090961101.db2.gz PZTRNHIDQAPXQF-ROUUACIJSA-N 2 2 310.441 3.406 20 0 DGADLP CC[N@H+](Cc1cn(C(C)=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204409102 1090962966 /nfs/dbraw/zinc/96/29/66/1090962966.db2.gz RMUJKCGUSULVLN-UHFFFAOYSA-N 2 2 313.445 3.218 20 0 DGADLP CC[N@@H+](Cc1cn(C(C)=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204409102 1090962971 /nfs/dbraw/zinc/96/29/71/1090962971.db2.gz RMUJKCGUSULVLN-UHFFFAOYSA-N 2 2 313.445 3.218 20 0 DGADLP FC1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC001204492658 1090982749 /nfs/dbraw/zinc/98/27/49/1090982749.db2.gz RCZDSALWIJQNJY-UHFFFAOYSA-N 2 2 318.436 3.020 20 0 DGADLP Cc1[nH+]c[nH]c1CN1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001204594229 1091004929 /nfs/dbraw/zinc/00/49/29/1091004929.db2.gz IRXJSOKJNUAZHL-IBGZPJMESA-N 2 2 324.472 3.347 20 0 DGADLP Cc1[nH+]c[nH]c1CN1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001204594229 1091004936 /nfs/dbraw/zinc/00/49/36/1091004936.db2.gz IRXJSOKJNUAZHL-IBGZPJMESA-N 2 2 324.472 3.347 20 0 DGADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-c3ccccc3F)cc2)CC1 ZINC001168746319 1091043992 /nfs/dbraw/zinc/04/39/92/1091043992.db2.gz JPNVVBITAXVSPQ-UHFFFAOYSA-N 2 2 312.392 3.087 20 0 DGADLP Cc1ccccc1N1CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC001204863563 1091050574 /nfs/dbraw/zinc/05/05/74/1091050574.db2.gz KYUBXSXAQAOVLT-UHFFFAOYSA-N 2 2 315.505 3.429 20 0 DGADLP C[NH2+][C@H](c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C(C)(C)C ZINC001204887943 1091055070 /nfs/dbraw/zinc/05/50/70/1091055070.db2.gz DCTHJNRYQAVNOY-CQSZACIVSA-N 2 2 311.389 3.229 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204939750 1091067446 /nfs/dbraw/zinc/06/74/46/1091067446.db2.gz SVLQGLBHTOSANL-QGZVFWFLSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204939750 1091067452 /nfs/dbraw/zinc/06/74/52/1091067452.db2.gz SVLQGLBHTOSANL-QGZVFWFLSA-N 2 2 301.459 3.432 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001205017280 1091085576 /nfs/dbraw/zinc/08/55/76/1091085576.db2.gz MTEUFRJHEWTSNA-INIZCTEOSA-N 2 2 317.477 3.225 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001205017280 1091085583 /nfs/dbraw/zinc/08/55/83/1091085583.db2.gz MTEUFRJHEWTSNA-INIZCTEOSA-N 2 2 317.477 3.225 20 0 DGADLP FC1(F)CCCC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001205164693 1091116333 /nfs/dbraw/zinc/11/63/33/1091116333.db2.gz OBEPTWQAVTXTAJ-UHFFFAOYSA-N 2 2 319.399 3.366 20 0 DGADLP FC1(F)CCCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001205164693 1091116334 /nfs/dbraw/zinc/11/63/34/1091116334.db2.gz OBEPTWQAVTXTAJ-UHFFFAOYSA-N 2 2 319.399 3.366 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205189776 1091123646 /nfs/dbraw/zinc/12/36/46/1091123646.db2.gz GQUVMMOBWHQHBQ-OXQOHEQNSA-N 2 2 310.441 3.496 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205189776 1091123652 /nfs/dbraw/zinc/12/36/52/1091123652.db2.gz GQUVMMOBWHQHBQ-OXQOHEQNSA-N 2 2 310.441 3.496 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205296662 1091169566 /nfs/dbraw/zinc/16/95/66/1091169566.db2.gz SGTMTPVEOXGTFN-KRWDZBQOSA-N 2 2 312.404 3.455 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205296662 1091169570 /nfs/dbraw/zinc/16/95/70/1091169570.db2.gz SGTMTPVEOXGTFN-KRWDZBQOSA-N 2 2 312.404 3.455 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205297045 1091170843 /nfs/dbraw/zinc/17/08/43/1091170843.db2.gz XWBSJPRCQLXMQZ-QGZVFWFLSA-N 2 2 317.458 3.219 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001205297045 1091170845 /nfs/dbraw/zinc/17/08/45/1091170845.db2.gz XWBSJPRCQLXMQZ-QGZVFWFLSA-N 2 2 317.458 3.219 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303280 1091173081 /nfs/dbraw/zinc/17/30/81/1091173081.db2.gz BYBDWFWPUBOCID-AAEUAGOBSA-N 2 2 316.367 3.131 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(C(F)(F)F)c1 ZINC001205303280 1091173090 /nfs/dbraw/zinc/17/30/90/1091173090.db2.gz BYBDWFWPUBOCID-AAEUAGOBSA-N 2 2 316.367 3.131 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305486 1091176997 /nfs/dbraw/zinc/17/69/97/1091176997.db2.gz RRMDDIJZAYQMCV-GXSJLCMTSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305486 1091177003 /nfs/dbraw/zinc/17/70/03/1091177003.db2.gz RRMDDIJZAYQMCV-GXSJLCMTSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC001205317158 1091182424 /nfs/dbraw/zinc/18/24/24/1091182424.db2.gz MWLSWIFTVPIZMH-GXTWGEPZSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3cccc(F)c3)n2)C[C@H]1C[NH3+] ZINC001205317158 1091182427 /nfs/dbraw/zinc/18/24/27/1091182427.db2.gz MWLSWIFTVPIZMH-GXTWGEPZSA-N 2 2 319.449 3.366 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@@H]1C[NH3+] ZINC001205317320 1091182575 /nfs/dbraw/zinc/18/25/75/1091182575.db2.gz NROVZCWWDSLNCG-KSSFIOAISA-N 2 2 313.420 3.304 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)C[C@@H]1C[NH3+] ZINC001205317320 1091182578 /nfs/dbraw/zinc/18/25/78/1091182578.db2.gz NROVZCWWDSLNCG-KSSFIOAISA-N 2 2 313.420 3.304 20 0 DGADLP COc1ccc2[nH]cc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c2c1 ZINC001138513361 1091212888 /nfs/dbraw/zinc/21/28/88/1091212888.db2.gz YPOXKYJMDURWKZ-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP COc1ccc2[nH]cc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c2c1 ZINC001138513361 1091212895 /nfs/dbraw/zinc/21/28/95/1091212895.db2.gz YPOXKYJMDURWKZ-UHFFFAOYSA-N 2 2 315.461 3.481 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001138547413 1091224663 /nfs/dbraw/zinc/22/46/63/1091224663.db2.gz MUVWDHBNZWKOKD-UHFFFAOYSA-N 3 2 312.461 3.098 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC001138547413 1091224676 /nfs/dbraw/zinc/22/46/76/1091224676.db2.gz MUVWDHBNZWKOKD-UHFFFAOYSA-N 3 2 312.461 3.098 20 0 DGADLP CC[N@H+](C)C1CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001138616747 1091257392 /nfs/dbraw/zinc/25/73/92/1091257392.db2.gz ZUTFNRAMJNNTKG-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001138616747 1091257401 /nfs/dbraw/zinc/25/74/01/1091257401.db2.gz ZUTFNRAMJNNTKG-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690012 1091290242 /nfs/dbraw/zinc/29/02/42/1091290242.db2.gz ZACPMVBOXCSTBM-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690012 1091290249 /nfs/dbraw/zinc/29/02/49/1091290249.db2.gz ZACPMVBOXCSTBM-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690012 1091290254 /nfs/dbraw/zinc/29/02/54/1091290254.db2.gz ZACPMVBOXCSTBM-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(Cl)[nH]c4ccccc43)C2)C1 ZINC001138690012 1091290257 /nfs/dbraw/zinc/29/02/57/1091290257.db2.gz ZACPMVBOXCSTBM-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205780566 1091344946 /nfs/dbraw/zinc/34/49/46/1091344946.db2.gz QZRASJARARGVQS-CQSZACIVSA-N 2 2 312.404 3.280 20 0 DGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205780566 1091344958 /nfs/dbraw/zinc/34/49/58/1091344958.db2.gz QZRASJARARGVQS-CQSZACIVSA-N 2 2 312.404 3.280 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc4occc4c3)CC2)nc(C)[nH+]1 ZINC001138824380 1091345960 /nfs/dbraw/zinc/34/59/60/1091345960.db2.gz HWKQUFITQZCRQW-UHFFFAOYSA-N 2 2 322.412 3.162 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205788893 1091346530 /nfs/dbraw/zinc/34/65/30/1091346530.db2.gz STEIJZXYMWDWFV-OAHLLOKOSA-N 2 2 312.404 3.198 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205788893 1091346539 /nfs/dbraw/zinc/34/65/39/1091346539.db2.gz STEIJZXYMWDWFV-OAHLLOKOSA-N 2 2 312.404 3.198 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1OC(C)C ZINC001205788071 1091347275 /nfs/dbraw/zinc/34/72/75/1091347275.db2.gz LGCVGUVMMZGNPR-OAHLLOKOSA-N 2 2 312.404 3.198 20 0 DGADLP Cc1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1OC(C)C ZINC001205788071 1091347285 /nfs/dbraw/zinc/34/72/85/1091347285.db2.gz LGCVGUVMMZGNPR-OAHLLOKOSA-N 2 2 312.404 3.198 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827054 1091368283 /nfs/dbraw/zinc/36/82/83/1091368283.db2.gz FZHGVVPXSUBCKD-RHSMWYFYSA-N 2 2 318.461 3.201 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001205827054 1091368295 /nfs/dbraw/zinc/36/82/95/1091368295.db2.gz FZHGVVPXSUBCKD-RHSMWYFYSA-N 2 2 318.461 3.201 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901158 1091400477 /nfs/dbraw/zinc/40/04/77/1091400477.db2.gz BKGQOADRJLWGOO-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901158 1091400481 /nfs/dbraw/zinc/40/04/81/1091400481.db2.gz BKGQOADRJLWGOO-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP [NH3+]C1([C@H]2CN(c3cc(-c4ccccc4)cc[nH+]3)C[C@@H]2CF)CC1 ZINC001165429246 1091427974 /nfs/dbraw/zinc/42/79/74/1091427974.db2.gz IIZZBEIEKYPHFP-IRXDYDNUSA-N 2 2 311.404 3.262 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C[C@H]1[NH3+] ZINC001206075519 1091480227 /nfs/dbraw/zinc/48/02/27/1091480227.db2.gz QBHFGHQYUGXKAD-MLGOLLRUSA-N 2 2 301.821 3.181 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C[C@H]1[NH3+] ZINC001206075519 1091480231 /nfs/dbraw/zinc/48/02/31/1091480231.db2.gz QBHFGHQYUGXKAD-MLGOLLRUSA-N 2 2 301.821 3.181 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197204 1091530862 /nfs/dbraw/zinc/53/08/62/1091530862.db2.gz GTJWWMWAKOFMDS-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197204 1091530866 /nfs/dbraw/zinc/53/08/66/1091530866.db2.gz GTJWWMWAKOFMDS-KBPBESRZSA-N 2 2 315.230 3.019 20 0 DGADLP CC[N@H+](Cc1ccc(-c2cnccn2)cc1)C1CC[NH+](C)CC1 ZINC001139388946 1091541804 /nfs/dbraw/zinc/54/18/04/1091541804.db2.gz IAXCHEITILMWAA-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](Cc1ccc(-c2cnccn2)cc1)C1CC[NH+](C)CC1 ZINC001139388946 1091541809 /nfs/dbraw/zinc/54/18/09/1091541809.db2.gz IAXCHEITILMWAA-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001206263193 1091555308 /nfs/dbraw/zinc/55/53/08/1091555308.db2.gz QHUWEOVVNCWHAB-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001206263193 1091555320 /nfs/dbraw/zinc/55/53/20/1091555320.db2.gz QHUWEOVVNCWHAB-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344691 1091587902 /nfs/dbraw/zinc/58/79/02/1091587902.db2.gz WXAQCAOQGBIYNQ-GOSISDBHSA-N 2 2 316.424 3.038 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344691 1091587908 /nfs/dbraw/zinc/58/79/08/1091587908.db2.gz WXAQCAOQGBIYNQ-GOSISDBHSA-N 2 2 316.424 3.038 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206360736 1091597134 /nfs/dbraw/zinc/59/71/34/1091597134.db2.gz AEIQNVXRLWRXNP-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP Cc1ccc(OC(C)C)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206360736 1091597143 /nfs/dbraw/zinc/59/71/43/1091597143.db2.gz AEIQNVXRLWRXNP-SFHVURJKSA-N 2 2 308.441 3.435 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)c(Br)c1 ZINC001139731348 1091657872 /nfs/dbraw/zinc/65/78/72/1091657872.db2.gz LIJXJSHEWQRCEI-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)c(Br)c1 ZINC001139731348 1091657880 /nfs/dbraw/zinc/65/78/80/1091657880.db2.gz LIJXJSHEWQRCEI-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CCOC(=O)c1ccsc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599510 1091684646 /nfs/dbraw/zinc/68/46/46/1091684646.db2.gz SVLQRHRYOMECQG-AWEZNQCLSA-N 2 2 324.490 3.277 20 0 DGADLP CCOC(=O)c1ccsc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599510 1091684650 /nfs/dbraw/zinc/68/46/50/1091684650.db2.gz SVLQRHRYOMECQG-AWEZNQCLSA-N 2 2 324.490 3.277 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001206624496 1091693399 /nfs/dbraw/zinc/69/33/99/1091693399.db2.gz VQRCGLGYBXEUAE-SNVBAGLBSA-N 2 2 321.774 3.315 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001206624496 1091693402 /nfs/dbraw/zinc/69/34/02/1091693402.db2.gz VQRCGLGYBXEUAE-SNVBAGLBSA-N 2 2 321.774 3.315 20 0 DGADLP CCOC(=O)c1c(Cl)cccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640964 1091696718 /nfs/dbraw/zinc/69/67/18/1091696718.db2.gz QEGARPYMWQBDQG-CYBMUJFWSA-N 2 2 324.852 3.078 20 0 DGADLP CCOC(=O)c1c(Cl)cccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640964 1091696721 /nfs/dbraw/zinc/69/67/21/1091696721.db2.gz QEGARPYMWQBDQG-CYBMUJFWSA-N 2 2 324.852 3.078 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC12CN(Cc1cccc(N)[nH+]1)C2 ZINC001276491650 1091710692 /nfs/dbraw/zinc/71/06/92/1091710692.db2.gz HFQVUUSBFKCDRP-MRXNPFEDSA-N 2 2 316.493 3.140 20 0 DGADLP C[C@H]([NH3+])c1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206719304 1091711919 /nfs/dbraw/zinc/71/19/19/1091711919.db2.gz GCJOFTUGQJELAQ-AWEZNQCLSA-N 2 2 314.404 3.345 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001140022493 1091740853 /nfs/dbraw/zinc/74/08/53/1091740853.db2.gz HSXLDLLRICLZSR-DNVCBOLYSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001140022493 1091740858 /nfs/dbraw/zinc/74/08/58/1091740858.db2.gz HSXLDLLRICLZSR-DNVCBOLYSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001140022492 1091741484 /nfs/dbraw/zinc/74/14/84/1091741484.db2.gz HSXLDLLRICLZSR-BEFAXECRSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001140022492 1091741491 /nfs/dbraw/zinc/74/14/91/1091741491.db2.gz HSXLDLLRICLZSR-BEFAXECRSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc(C)ccn4)C[C@H]3C2)cc1 ZINC001206848578 1091767646 /nfs/dbraw/zinc/76/76/46/1091767646.db2.gz GSFDCESIPFREQH-WOJBJXKFSA-N 2 2 321.468 3.262 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207053833 1091830097 /nfs/dbraw/zinc/83/00/97/1091830097.db2.gz YWIGSFQDOWOYBI-QGZVFWFLSA-N 2 2 320.440 3.213 20 0 DGADLP c1csc(-c2cccc(C[NH+]3CCC([NH+]4CCC4)CC3)c2)n1 ZINC001140340251 1091833136 /nfs/dbraw/zinc/83/31/36/1091833136.db2.gz SUZMWSYDGKTHRE-UHFFFAOYSA-N 2 2 313.470 3.480 20 0 DGADLP C[N@H+](Cc1cccc(=O)[nH]1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207074279 1091837523 /nfs/dbraw/zinc/83/75/23/1091837523.db2.gz GBVKOWSDWZDDKJ-UHFFFAOYSA-N 2 2 303.450 3.016 20 0 DGADLP C[N@@H+](Cc1cccc(=O)[nH]1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207074279 1091837525 /nfs/dbraw/zinc/83/75/25/1091837525.db2.gz GBVKOWSDWZDDKJ-UHFFFAOYSA-N 2 2 303.450 3.016 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381597 1091843392 /nfs/dbraw/zinc/84/33/92/1091843392.db2.gz FRMOEWGUEJUXBP-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381597 1091843395 /nfs/dbraw/zinc/84/33/95/1091843395.db2.gz FRMOEWGUEJUXBP-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381597 1091843399 /nfs/dbraw/zinc/84/33/99/1091843399.db2.gz FRMOEWGUEJUXBP-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381597 1091843401 /nfs/dbraw/zinc/84/34/01/1091843401.db2.gz FRMOEWGUEJUXBP-ICSRJNTNSA-N 2 2 307.441 3.275 20 0 DGADLP c1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)nc1 ZINC001140382963 1091845852 /nfs/dbraw/zinc/84/58/52/1091845852.db2.gz WNMSRBFCWSXPIV-UHFFFAOYSA-N 2 2 307.441 3.419 20 0 DGADLP Cc1ncccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001207148387 1091862349 /nfs/dbraw/zinc/86/23/49/1091862349.db2.gz VNSKHGKDSVQOTI-IAGOWNOFSA-N 2 2 313.470 3.015 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001140482118 1091882390 /nfs/dbraw/zinc/88/23/90/1091882390.db2.gz QCUHZSQWGSBYDM-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001140482118 1091882395 /nfs/dbraw/zinc/88/23/95/1091882395.db2.gz QCUHZSQWGSBYDM-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](C[C@H](C)C(=O)OC)C2)C1 ZINC001276519412 1091908690 /nfs/dbraw/zinc/90/86/90/1091908690.db2.gz VRRMUEUMXHTZJC-IRXDYDNUSA-N 2 2 324.509 3.020 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](C[C@H](C)C(=O)OC)C2)C1 ZINC001276519412 1091908697 /nfs/dbraw/zinc/90/86/97/1091908697.db2.gz VRRMUEUMXHTZJC-IRXDYDNUSA-N 2 2 324.509 3.020 20 0 DGADLP CC/C=C\CC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522289 1091919566 /nfs/dbraw/zinc/91/95/66/1091919566.db2.gz JCSIKUSCBGLHKP-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276522289 1091919569 /nfs/dbraw/zinc/91/95/69/1091919569.db2.gz JCSIKUSCBGLHKP-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522289 1091919575 /nfs/dbraw/zinc/91/95/75/1091919575.db2.gz JCSIKUSCBGLHKP-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276522289 1091919579 /nfs/dbraw/zinc/91/95/79/1091919579.db2.gz JCSIKUSCBGLHKP-ZRHASKPBSA-N 2 2 316.493 3.444 20 0 DGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140708163 1091969195 /nfs/dbraw/zinc/96/91/95/1091969195.db2.gz RKDRDNCLYZRYQP-UHFFFAOYSA-N 2 2 301.409 3.250 20 0 DGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140708163 1091969203 /nfs/dbraw/zinc/96/92/03/1091969203.db2.gz RKDRDNCLYZRYQP-UHFFFAOYSA-N 2 2 301.409 3.250 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207509307 1091996975 /nfs/dbraw/zinc/99/69/75/1091996975.db2.gz CJFFMVGFJVUHJQ-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3cccc(Br)c3)C2)C1 ZINC001207509307 1091996983 /nfs/dbraw/zinc/99/69/83/1091996983.db2.gz CJFFMVGFJVUHJQ-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207509307 1091996987 /nfs/dbraw/zinc/99/69/87/1091996987.db2.gz CJFFMVGFJVUHJQ-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cccc(Br)c3)C2)C1 ZINC001207509307 1091996996 /nfs/dbraw/zinc/99/69/96/1091996996.db2.gz CJFFMVGFJVUHJQ-INIZCTEOSA-N 2 2 323.278 3.019 20 0 DGADLP C[C@@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001207621710 1092046654 /nfs/dbraw/zinc/04/66/54/1092046654.db2.gz IOHWIGKGJLJNMJ-CPFNUKBASA-N 2 2 309.542 3.063 20 0 DGADLP C[C@@H]([NH2+]CC1CCC(C(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001207621710 1092046662 /nfs/dbraw/zinc/04/66/62/1092046662.db2.gz IOHWIGKGJLJNMJ-CPFNUKBASA-N 2 2 309.542 3.063 20 0 DGADLP c1cn(C2CC[NH+](Cc3cccc(-c4ncccn4)c3)CC2)c[nH+]1 ZINC001140980778 1092093754 /nfs/dbraw/zinc/09/37/54/1092093754.db2.gz KPIWSAJWRORIBU-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP C[C@H](C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904407 1092134967 /nfs/dbraw/zinc/13/49/67/1092134967.db2.gz DIMLSJZCJOOVTE-RLLQIKCJSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904407 1092134972 /nfs/dbraw/zinc/13/49/72/1092134972.db2.gz DIMLSJZCJOOVTE-RLLQIKCJSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904407 1092134980 /nfs/dbraw/zinc/13/49/80/1092134980.db2.gz DIMLSJZCJOOVTE-RLLQIKCJSA-N 2 2 321.468 3.249 20 0 DGADLP C[C@H](C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1)c1ccccc1 ZINC001207904407 1092134984 /nfs/dbraw/zinc/13/49/84/1092134984.db2.gz DIMLSJZCJOOVTE-RLLQIKCJSA-N 2 2 321.468 3.249 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC001141270511 1092195705 /nfs/dbraw/zinc/19/57/05/1092195705.db2.gz ZUGHWTIZUKYAOB-GOSISDBHSA-N 2 2 311.429 3.109 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C1 ZINC001141270511 1092195711 /nfs/dbraw/zinc/19/57/11/1092195711.db2.gz ZUGHWTIZUKYAOB-GOSISDBHSA-N 2 2 311.429 3.109 20 0 DGADLP Cc1nc(C(F)(F)F)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001141432536 1092241989 /nfs/dbraw/zinc/24/19/89/1092241989.db2.gz APJZIJSSARYPOK-UHFFFAOYSA-N 2 2 324.350 3.442 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)nc1C)C1CC[NH+](C)CC1 ZINC001141430656 1092242578 /nfs/dbraw/zinc/24/25/78/1092242578.db2.gz IIFFYUPBQCBUTP-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)nc1C)C1CC[NH+](C)CC1 ZINC001141430656 1092242592 /nfs/dbraw/zinc/24/25/92/1092242592.db2.gz IIFFYUPBQCBUTP-UHFFFAOYSA-N 2 2 315.383 3.325 20 0 DGADLP CC1=C[C@H](C)[C@@H](C[NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001208182685 1092248854 /nfs/dbraw/zinc/24/88/54/1092248854.db2.gz VCXVSBDMBIZGSJ-RBUKOAKNSA-N 3 2 309.542 3.184 20 0 DGADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615134 1092427460 /nfs/dbraw/zinc/42/74/60/1092427460.db2.gz QACFAORVUMRMOF-KRWDZBQOSA-N 3 2 307.526 3.057 20 0 DGADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615134 1092427464 /nfs/dbraw/zinc/42/74/64/1092427464.db2.gz QACFAORVUMRMOF-KRWDZBQOSA-N 3 2 307.526 3.057 20 0 DGADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615134 1092427470 /nfs/dbraw/zinc/42/74/70/1092427470.db2.gz QACFAORVUMRMOF-KRWDZBQOSA-N 3 2 307.526 3.057 20 0 DGADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001208615134 1092427472 /nfs/dbraw/zinc/42/74/72/1092427472.db2.gz QACFAORVUMRMOF-KRWDZBQOSA-N 3 2 307.526 3.057 20 0 DGADLP CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CC[NH+](C)CC1 ZINC001142174610 1092427634 /nfs/dbraw/zinc/42/76/34/1092427634.db2.gz CAZATWFVAJMQNQ-UHFFFAOYSA-N 2 2 306.498 3.171 20 0 DGADLP CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CC[NH+](C)CC1 ZINC001142174610 1092427637 /nfs/dbraw/zinc/42/76/37/1092427637.db2.gz CAZATWFVAJMQNQ-UHFFFAOYSA-N 2 2 306.498 3.171 20 0 DGADLP COc1cccc([C@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208619934 1092430469 /nfs/dbraw/zinc/43/04/69/1092430469.db2.gz ZKPUNSMFWNDUEA-CRAIPNDOSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@H]2CSCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)c1 ZINC001208619934 1092430480 /nfs/dbraw/zinc/43/04/80/1092430480.db2.gz ZKPUNSMFWNDUEA-CRAIPNDOSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@H]2CSCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001208619934 1092430487 /nfs/dbraw/zinc/43/04/87/1092430487.db2.gz ZKPUNSMFWNDUEA-CRAIPNDOSA-N 2 2 320.502 3.127 20 0 DGADLP COc1cccc([C@H]2CSCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001208619934 1092430493 /nfs/dbraw/zinc/43/04/93/1092430493.db2.gz ZKPUNSMFWNDUEA-CRAIPNDOSA-N 2 2 320.502 3.127 20 0 DGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nccs1 ZINC001168996250 1092476487 /nfs/dbraw/zinc/47/64/87/1092476487.db2.gz QZZPPNXFORXIND-HUUCEWRRSA-N 2 2 315.486 3.389 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc3nc[nH]c32)CC1 ZINC001142696260 1092534689 /nfs/dbraw/zinc/53/46/89/1092534689.db2.gz JHSBQQPENXDPME-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc3nc[nH]c32)CC1 ZINC001142696260 1092534700 /nfs/dbraw/zinc/53/47/00/1092534700.db2.gz JHSBQQPENXDPME-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118537 1092543691 /nfs/dbraw/zinc/54/36/91/1092543691.db2.gz JVGDHQZEXNNHAM-JFILPPLUSA-N 2 2 308.372 3.003 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOc3c(F)cc(F)cc31)C2 ZINC001169118537 1092543695 /nfs/dbraw/zinc/54/36/95/1092543695.db2.gz JVGDHQZEXNNHAM-JFILPPLUSA-N 2 2 308.372 3.003 20 0 DGADLP CC1(C)C[C@@H](Nc2ccc3c([nH+]2)CCOC3)C[C@@](C)(C[NH3+])C1 ZINC001169139514 1092551695 /nfs/dbraw/zinc/55/16/95/1092551695.db2.gz BHYHDTPGMVTJSW-RDTXWAMCSA-N 2 2 303.450 3.110 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208883851 1092562047 /nfs/dbraw/zinc/56/20/47/1092562047.db2.gz ZETGHURVOWUGCR-SFHVURJKSA-N 2 2 318.436 3.415 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208883851 1092562056 /nfs/dbraw/zinc/56/20/56/1092562056.db2.gz ZETGHURVOWUGCR-SFHVURJKSA-N 2 2 318.436 3.415 20 0 DGADLP c1ccc(N2CCC(C[N@@H+]3CCC[NH+]4CCC[C@H]4C3)CC2)cc1 ZINC001208912346 1092582310 /nfs/dbraw/zinc/58/23/10/1092582310.db2.gz RMLYJYIBDRJIDM-FQEVSTJZSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CCC(C[N@H+]3CCC[NH+]4CCC[C@H]4C3)CC2)cc1 ZINC001208912346 1092582326 /nfs/dbraw/zinc/58/23/26/1092582326.db2.gz RMLYJYIBDRJIDM-FQEVSTJZSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CCC(C[NH+]3CCC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001208912346 1092582335 /nfs/dbraw/zinc/58/23/35/1092582335.db2.gz RMLYJYIBDRJIDM-FQEVSTJZSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CCC(C[NH+]3CCC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001208912346 1092582345 /nfs/dbraw/zinc/58/23/45/1092582345.db2.gz RMLYJYIBDRJIDM-FQEVSTJZSA-N 2 2 313.489 3.073 20 0 DGADLP C[C@]1(F)CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943271 1092603399 /nfs/dbraw/zinc/60/33/99/1092603399.db2.gz TYILOYBKSADEBP-SQNIBIBYSA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943271 1092603406 /nfs/dbraw/zinc/60/34/06/1092603406.db2.gz TYILOYBKSADEBP-SQNIBIBYSA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943271 1092603410 /nfs/dbraw/zinc/60/34/10/1092603410.db2.gz TYILOYBKSADEBP-SQNIBIBYSA-N 2 2 308.416 3.281 20 0 DGADLP C[C@]1(F)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1F ZINC001208943271 1092603416 /nfs/dbraw/zinc/60/34/16/1092603416.db2.gz TYILOYBKSADEBP-SQNIBIBYSA-N 2 2 308.416 3.281 20 0 DGADLP C[N@@H+](Cc1cncs1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941984 1092603965 /nfs/dbraw/zinc/60/39/65/1092603965.db2.gz FJDIGLFWLBTPSD-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP C[N@H+](Cc1cncs1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208941984 1092603972 /nfs/dbraw/zinc/60/39/72/1092603972.db2.gz FJDIGLFWLBTPSD-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP C[NH+](Cc1cncs1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208941984 1092603977 /nfs/dbraw/zinc/60/39/77/1092603977.db2.gz FJDIGLFWLBTPSD-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP C[NH+](Cc1cncs1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208941984 1092603984 /nfs/dbraw/zinc/60/39/84/1092603984.db2.gz FJDIGLFWLBTPSD-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](CC(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001169231334 1092604384 /nfs/dbraw/zinc/60/43/84/1092604384.db2.gz YSTCTKGLGUMNPH-INIZCTEOSA-N 2 2 324.852 3.018 20 0 DGADLP CC[NH+]1CCC([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001169264383 1092607060 /nfs/dbraw/zinc/60/70/60/1092607060.db2.gz MCRHTYWEMYWOMN-UHFFFAOYSA-N 2 2 312.457 3.091 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CCSC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001169258178 1092621316 /nfs/dbraw/zinc/62/13/16/1092621316.db2.gz FHXFKWQUZORKFV-GOSISDBHSA-N 2 2 320.502 3.269 20 0 DGADLP CC[NH+]1CCC([N@H+]2CCSC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001169258178 1092621318 /nfs/dbraw/zinc/62/13/18/1092621318.db2.gz FHXFKWQUZORKFV-GOSISDBHSA-N 2 2 320.502 3.269 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209096908 1092651941 /nfs/dbraw/zinc/65/19/41/1092651941.db2.gz OEIVBQQCMPGXJN-ZWKOTPCHSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209096908 1092651945 /nfs/dbraw/zinc/65/19/45/1092651945.db2.gz OEIVBQQCMPGXJN-ZWKOTPCHSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209096908 1092651948 /nfs/dbraw/zinc/65/19/48/1092651948.db2.gz OEIVBQQCMPGXJN-ZWKOTPCHSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209096908 1092651949 /nfs/dbraw/zinc/65/19/49/1092651949.db2.gz OEIVBQQCMPGXJN-ZWKOTPCHSA-N 2 2 324.509 3.306 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2cc(F)cc(F)c2)C1 ZINC001209131815 1092666189 /nfs/dbraw/zinc/66/61/89/1092666189.db2.gz CSCIZFXNWOGHTN-KRWDZBQOSA-N 2 2 318.367 3.364 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2cc(F)cc(F)c2)C1 ZINC001209131815 1092666190 /nfs/dbraw/zinc/66/61/90/1092666190.db2.gz CSCIZFXNWOGHTN-KRWDZBQOSA-N 2 2 318.367 3.364 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127501 1092666208 /nfs/dbraw/zinc/66/62/08/1092666208.db2.gz VVHBDGMBDJJYQH-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127501 1092666211 /nfs/dbraw/zinc/66/62/11/1092666211.db2.gz VVHBDGMBDJJYQH-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127501 1092666212 /nfs/dbraw/zinc/66/62/12/1092666212.db2.gz VVHBDGMBDJJYQH-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC001209127501 1092666213 /nfs/dbraw/zinc/66/62/13/1092666213.db2.gz VVHBDGMBDJJYQH-HOCLYGCPSA-N 2 2 312.379 3.274 20 0 DGADLP c1cc(OC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC001209142655 1092671213 /nfs/dbraw/zinc/67/12/13/1092671213.db2.gz FIPODBITRCGMCY-UHFFFAOYSA-N 2 2 324.424 3.102 20 0 DGADLP C[N@H+](CCCc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209189786 1092687797 /nfs/dbraw/zinc/68/77/97/1092687797.db2.gz UZFBIGPSINETHW-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP C[N@@H+](CCCc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209189786 1092687804 /nfs/dbraw/zinc/68/78/04/1092687804.db2.gz UZFBIGPSINETHW-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276637602 1092744163 /nfs/dbraw/zinc/74/41/63/1092744163.db2.gz GFPMPGYAXHIGKB-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(C)n1 ZINC001276637602 1092744170 /nfs/dbraw/zinc/74/41/70/1092744170.db2.gz GFPMPGYAXHIGKB-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(C)n1 ZINC001276637602 1092744175 /nfs/dbraw/zinc/74/41/75/1092744175.db2.gz GFPMPGYAXHIGKB-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(C)n1 ZINC001276637602 1092744179 /nfs/dbraw/zinc/74/41/79/1092744179.db2.gz GFPMPGYAXHIGKB-LJQANCHMSA-N 2 2 317.477 3.097 20 0 DGADLP C[C@H]1C[C@@H]1C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209420180 1092768472 /nfs/dbraw/zinc/76/84/72/1092768472.db2.gz CLVQQLPWRCCMOW-WDEREUQCSA-N 2 2 320.234 3.152 20 0 DGADLP c1cn(CCN2CC[C@H]3[C@@H]2CC[N@H+]3CCC2CCCCC2)c[nH+]1 ZINC001276646727 1092794030 /nfs/dbraw/zinc/79/40/30/1092794030.db2.gz IFIDYXQNAPHVCN-OALUTQOASA-N 2 2 316.493 3.002 20 0 DGADLP c1cn(CCN2CC[C@H]3[C@@H]2CC[N@@H+]3CCC2CCCCC2)c[nH+]1 ZINC001276646727 1092794050 /nfs/dbraw/zinc/79/40/50/1092794050.db2.gz IFIDYXQNAPHVCN-OALUTQOASA-N 2 2 316.493 3.002 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC3(C[NH+](CCC4CCCCC4)C3)C2)c1 ZINC001276646883 1092795935 /nfs/dbraw/zinc/79/59/35/1092795935.db2.gz OLFOIQKAVJRFKO-UHFFFAOYSA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC3(C[NH+](CCC4CCCCC4)C3)C2)c1 ZINC001276646883 1092795947 /nfs/dbraw/zinc/79/59/47/1092795947.db2.gz OLFOIQKAVJRFKO-UHFFFAOYSA-N 2 2 301.478 3.493 20 0 DGADLP COc1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC001209645108 1092861316 /nfs/dbraw/zinc/86/13/16/1092861316.db2.gz RMLMTTGDZUDJCI-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC001209645108 1092861324 /nfs/dbraw/zinc/86/13/24/1092861324.db2.gz RMLMTTGDZUDJCI-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COc1c(Cl)ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001209701801 1092887402 /nfs/dbraw/zinc/88/74/02/1092887402.db2.gz GVPTVQVLXJIQEN-UHFFFAOYSA-N 2 2 312.816 3.015 20 0 DGADLP Clc1ccc2[nH]c(C[N@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001209721052 1092891542 /nfs/dbraw/zinc/89/15/42/1092891542.db2.gz AZFLZUVCODPVTR-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1ccc2[nH]c(C[N@@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001209721052 1092891548 /nfs/dbraw/zinc/89/15/48/1092891548.db2.gz AZFLZUVCODPVTR-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209765412 1092910233 /nfs/dbraw/zinc/91/02/33/1092910233.db2.gz OKTINFMYOYWOSQ-UHFFFAOYSA-N 2 2 310.445 3.135 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209765412 1092910244 /nfs/dbraw/zinc/91/02/44/1092910244.db2.gz OKTINFMYOYWOSQ-UHFFFAOYSA-N 2 2 310.445 3.135 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC001209781057 1092919321 /nfs/dbraw/zinc/91/93/21/1092919321.db2.gz DDKSEUUHLQXSHG-KRWDZBQOSA-N 2 2 311.429 3.109 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC001209781057 1092919329 /nfs/dbraw/zinc/91/93/29/1092919329.db2.gz DDKSEUUHLQXSHG-KRWDZBQOSA-N 2 2 311.429 3.109 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209847958 1092946802 /nfs/dbraw/zinc/94/68/02/1092946802.db2.gz XYMMJCPSKXJCLD-UHFFFAOYSA-N 2 2 321.428 3.367 20 0 DGADLP C[NH2+]CC1C[NH+](Cc2ccc(N(C)c3ccc(C)cc3)cc2)C1 ZINC001210561281 1093210213 /nfs/dbraw/zinc/21/02/13/1093210213.db2.gz KIGLRMPACDAARP-UHFFFAOYSA-N 2 2 309.457 3.414 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406099 1093434516 /nfs/dbraw/zinc/43/45/16/1093434516.db2.gz SIBPDUAWIFEXHO-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406099 1093434523 /nfs/dbraw/zinc/43/45/23/1093434523.db2.gz SIBPDUAWIFEXHO-WDEREUQCSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1cc(C)c(Nc2ccc(OC3CC[NH+](C)CC3)cn2)c[nH+]1 ZINC001213513608 1093602335 /nfs/dbraw/zinc/60/23/35/1093602335.db2.gz YWTKOEHYOTXCSX-UHFFFAOYSA-N 2 2 312.417 3.310 20 0 DGADLP C[NH2+]Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1F ZINC001216223621 1094151015 /nfs/dbraw/zinc/15/10/15/1094151015.db2.gz WEXGAENZNFSHKZ-UHFFFAOYSA-N 2 2 300.381 3.284 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC001119954886 1094320220 /nfs/dbraw/zinc/32/02/20/1094320220.db2.gz SJUKEZWIYCQDQT-INIZCTEOSA-N 2 2 301.409 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001119954886 1094320228 /nfs/dbraw/zinc/32/02/28/1094320228.db2.gz SJUKEZWIYCQDQT-INIZCTEOSA-N 2 2 301.409 3.056 20 0 DGADLP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044255 1094372207 /nfs/dbraw/zinc/37/22/07/1094372207.db2.gz REJQNHQDXSSFPJ-ZBFHGGJFSA-N 2 2 317.477 3.460 20 0 DGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC001217699979 1094475398 /nfs/dbraw/zinc/47/53/98/1094475398.db2.gz URRFYXLBHAYALN-AWEZNQCLSA-N 2 2 314.776 3.016 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001120820303 1094533890 /nfs/dbraw/zinc/53/38/90/1094533890.db2.gz CWXNTOWSIQRGNQ-UHFFFAOYSA-N 2 2 308.385 3.351 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001336261734 1094607827 /nfs/dbraw/zinc/60/78/27/1094607827.db2.gz HAJFMNRZLSSDCI-RHSMWYFYSA-N 2 2 306.425 3.092 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2)[nH+]c1C ZINC001337068904 1094839119 /nfs/dbraw/zinc/83/91/19/1094839119.db2.gz KKCNFWXJTRULMO-HNNXBMFYSA-N 2 2 300.406 3.005 20 0 DGADLP CCCCNc1cc(C)[nH+]c(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC001337065743 1094840555 /nfs/dbraw/zinc/84/05/55/1094840555.db2.gz AWWZNASEDCFVNY-UHFFFAOYSA-N 2 2 314.437 3.104 20 0 DGADLP CCCCCCc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218837615 1094885907 /nfs/dbraw/zinc/88/59/07/1094885907.db2.gz FHCCLTQVSYJSDK-QGZVFWFLSA-N 2 2 314.433 3.041 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC001219009806 1094928014 /nfs/dbraw/zinc/92/80/14/1094928014.db2.gz ORXXOAGZXFGAGN-INIZCTEOSA-N 2 2 318.465 3.202 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171064613 1095241634 /nfs/dbraw/zinc/24/16/34/1095241634.db2.gz SDCXUWFJRAUMAL-GWCFXTLKSA-N 2 2 301.261 3.390 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OCC(F)F)cc1 ZINC001136941829 1095247132 /nfs/dbraw/zinc/24/71/32/1095247132.db2.gz IRZYBKUAWDVPMK-UHFFFAOYSA-N 2 2 309.360 3.049 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OCC(F)F)cc1 ZINC001136941829 1095247139 /nfs/dbraw/zinc/24/71/39/1095247139.db2.gz IRZYBKUAWDVPMK-UHFFFAOYSA-N 2 2 309.360 3.049 20 0 DGADLP Fc1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c21 ZINC001136976656 1095261903 /nfs/dbraw/zinc/26/19/03/1095261903.db2.gz JWFRNJMDIKBBBC-UHFFFAOYSA-N 2 2 301.409 3.367 20 0 DGADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073482 1095264936 /nfs/dbraw/zinc/26/49/36/1095264936.db2.gz FVLXHJOVKAEJPT-ZDUSSCGKSA-N 2 2 324.255 3.417 20 0 DGADLP CCOc1c(F)cc(C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC001143734650 1095356600 /nfs/dbraw/zinc/35/66/00/1095356600.db2.gz VVWHJUKXRKVPRG-UHFFFAOYSA-N 2 2 302.821 3.261 20 0 DGADLP CCOc1c(F)cc(C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC001143734650 1095356607 /nfs/dbraw/zinc/35/66/07/1095356607.db2.gz VVWHJUKXRKVPRG-UHFFFAOYSA-N 2 2 302.821 3.261 20 0 DGADLP CCCC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752606 1095368608 /nfs/dbraw/zinc/36/86/08/1095368608.db2.gz LHJHTZOHMIIQHK-INIZCTEOSA-N 2 2 320.481 3.043 20 0 DGADLP COc1c(F)cc(C[N@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC001143847542 1095402358 /nfs/dbraw/zinc/40/23/58/1095402358.db2.gz QLUQZPMQRAQKJY-UHFFFAOYSA-N 2 2 314.832 3.405 20 0 DGADLP COc1c(F)cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC001143847542 1095402364 /nfs/dbraw/zinc/40/23/64/1095402364.db2.gz QLUQZPMQRAQKJY-UHFFFAOYSA-N 2 2 314.832 3.405 20 0 DGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171122234 1095448569 /nfs/dbraw/zinc/44/85/69/1095448569.db2.gz NMUUXAJVILKATC-MRXNPFEDSA-N 2 2 301.821 3.218 20 0 DGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171122234 1095448573 /nfs/dbraw/zinc/44/85/73/1095448573.db2.gz NMUUXAJVILKATC-MRXNPFEDSA-N 2 2 301.821 3.218 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222141022 1095453801 /nfs/dbraw/zinc/45/38/01/1095453801.db2.gz CJHOCHOXKJKHFS-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222141022 1095453807 /nfs/dbraw/zinc/45/38/07/1095453807.db2.gz CJHOCHOXKJKHFS-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1Br ZINC001222147847 1095457510 /nfs/dbraw/zinc/45/75/10/1095457510.db2.gz BZELGYSFGAHDLZ-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1Br ZINC001222147847 1095457514 /nfs/dbraw/zinc/45/75/14/1095457514.db2.gz BZELGYSFGAHDLZ-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1[nH+]c2c(n1[C@H]1CCc3cc(Cl)ccc3C1)CC[NH2+]CC2 ZINC001171124013 1095462629 /nfs/dbraw/zinc/46/26/29/1095462629.db2.gz ZQYNKNLJWWMDEX-INIZCTEOSA-N 2 2 315.848 3.263 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001222155123 1095463374 /nfs/dbraw/zinc/46/33/74/1095463374.db2.gz WIBWASNLOWAEGL-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC001222155123 1095463377 /nfs/dbraw/zinc/46/33/77/1095463377.db2.gz WIBWASNLOWAEGL-GOSISDBHSA-N 2 2 306.425 3.188 20 0 DGADLP Clc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222161588 1095467514 /nfs/dbraw/zinc/46/75/14/1095467514.db2.gz PYJZGWMWXXMCAQ-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccn1 ZINC001222161588 1095467517 /nfs/dbraw/zinc/46/75/17/1095467517.db2.gz PYJZGWMWXXMCAQ-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136523 1095502868 /nfs/dbraw/zinc/50/28/68/1095502868.db2.gz UNAXJYOMMYOFKW-NJAFHUGGSA-N 2 2 304.865 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136523 1095502874 /nfs/dbraw/zinc/50/28/74/1095502874.db2.gz UNAXJYOMMYOFKW-NJAFHUGGSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136523 1095502880 /nfs/dbraw/zinc/50/28/80/1095502880.db2.gz UNAXJYOMMYOFKW-NJAFHUGGSA-N 2 2 304.865 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C[C@@H]21 ZINC001171136523 1095502890 /nfs/dbraw/zinc/50/28/90/1095502890.db2.gz UNAXJYOMMYOFKW-NJAFHUGGSA-N 2 2 304.865 3.223 20 0 DGADLP c1cc(N2CCCCC2)oc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264710 1095519799 /nfs/dbraw/zinc/51/97/99/1095519799.db2.gz GXKHSXQPPJDERJ-LJQANCHMSA-N 2 2 317.477 3.236 20 0 DGADLP c1cc(N2CCCCC2)oc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222264710 1095519814 /nfs/dbraw/zinc/51/98/14/1095519814.db2.gz GXKHSXQPPJDERJ-LJQANCHMSA-N 2 2 317.477 3.236 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)n1 ZINC001222264863 1095520330 /nfs/dbraw/zinc/52/03/30/1095520330.db2.gz JBOQVKLWHJQNSQ-IBGZPJMESA-N 2 2 317.477 3.225 20 0 DGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)n1 ZINC001222264863 1095520337 /nfs/dbraw/zinc/52/03/37/1095520337.db2.gz JBOQVKLWHJQNSQ-IBGZPJMESA-N 2 2 317.477 3.225 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1F ZINC001222314002 1095546749 /nfs/dbraw/zinc/54/67/49/1095546749.db2.gz ABWRMGJGMPXWAH-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c(F)c1F ZINC001222314002 1095546756 /nfs/dbraw/zinc/54/67/56/1095546756.db2.gz ABWRMGJGMPXWAH-GOSISDBHSA-N 2 2 324.415 3.472 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222344586 1095561592 /nfs/dbraw/zinc/56/15/92/1095561592.db2.gz AAXKJKOITRHWAI-IBGZPJMESA-N 2 2 302.462 3.338 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222344586 1095561606 /nfs/dbraw/zinc/56/16/06/1095561606.db2.gz AAXKJKOITRHWAI-IBGZPJMESA-N 2 2 302.462 3.338 20 0 DGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152096 1095568555 /nfs/dbraw/zinc/56/85/55/1095568555.db2.gz NDJAZZPJLINLQC-INIZCTEOSA-N 2 2 322.497 3.043 20 0 DGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152096 1095568566 /nfs/dbraw/zinc/56/85/66/1095568566.db2.gz NDJAZZPJLINLQC-INIZCTEOSA-N 2 2 322.497 3.043 20 0 DGADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171158343 1095598878 /nfs/dbraw/zinc/59/88/78/1095598878.db2.gz OPVBONVDMYKQJC-ZDUSSCGKSA-N 2 2 324.255 3.417 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222464690 1095626910 /nfs/dbraw/zinc/62/69/10/1095626910.db2.gz CAIVPKXNYXEUNA-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222464690 1095626918 /nfs/dbraw/zinc/62/69/18/1095626918.db2.gz CAIVPKXNYXEUNA-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP COc1cc(C)ccc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116686585 1095634717 /nfs/dbraw/zinc/63/47/17/1095634717.db2.gz MZTGONYDHKYASA-UHFFFAOYSA-N 2 2 322.368 3.145 20 0 DGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)cn1 ZINC001116878133 1095687551 /nfs/dbraw/zinc/68/75/51/1095687551.db2.gz UIWKCSMZLMWYCO-QGZVFWFLSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)cn1 ZINC001116878133 1095687558 /nfs/dbraw/zinc/68/75/58/1095687558.db2.gz UIWKCSMZLMWYCO-QGZVFWFLSA-N 2 2 321.428 3.190 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001222620065 1095695132 /nfs/dbraw/zinc/69/51/32/1095695132.db2.gz FHEMSOCGHCOMBZ-GOEBONIOSA-N 2 2 308.853 3.311 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001222620065 1095695139 /nfs/dbraw/zinc/69/51/39/1095695139.db2.gz FHEMSOCGHCOMBZ-GOEBONIOSA-N 2 2 308.853 3.311 20 0 DGADLP Clc1ccc2[nH]cc(C[N@H+]3CCc4[nH+]ccn4CC3)c2c1 ZINC001137713933 1095719845 /nfs/dbraw/zinc/71/98/45/1095719845.db2.gz DUSFKJRDXHDPDR-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1ccc2[nH]cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c2c1 ZINC001137713933 1095719850 /nfs/dbraw/zinc/71/98/50/1095719850.db2.gz DUSFKJRDXHDPDR-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001137849482 1095765783 /nfs/dbraw/zinc/76/57/83/1095765783.db2.gz RWZWLSGRUAGCBB-OALUTQOASA-N 2 2 321.468 3.262 20 0 DGADLP S=C1C=COC1C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276847584 1095783841 /nfs/dbraw/zinc/78/38/41/1095783841.db2.gz CXGRCXZQUMTLIT-UHFFFAOYSA-N 2 2 306.475 3.409 20 0 DGADLP S=C1C=COC1C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276847584 1095783853 /nfs/dbraw/zinc/78/38/53/1095783853.db2.gz CXGRCXZQUMTLIT-UHFFFAOYSA-N 2 2 306.475 3.409 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001118103324 1095936980 /nfs/dbraw/zinc/93/69/80/1095936980.db2.gz SDEVOGQVPBPLTE-QWHCGFSZSA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001118103324 1095936986 /nfs/dbraw/zinc/93/69/86/1095936986.db2.gz SDEVOGQVPBPLTE-QWHCGFSZSA-N 2 2 316.276 3.259 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccnc(F)c2)[nH+]1 ZINC001118815357 1096084657 /nfs/dbraw/zinc/08/46/57/1096084657.db2.gz HDLVSRDKKODLDC-HNNXBMFYSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccnc(F)c2)[nH+]1 ZINC001118815357 1096084670 /nfs/dbraw/zinc/08/46/70/1096084670.db2.gz HDLVSRDKKODLDC-HNNXBMFYSA-N 2 2 300.381 3.001 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC001119241859 1096142050 /nfs/dbraw/zinc/14/20/50/1096142050.db2.gz NPVGWIXMGDTNIK-INIZCTEOSA-N 2 2 322.456 3.367 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001119241859 1096142054 /nfs/dbraw/zinc/14/20/54/1096142054.db2.gz NPVGWIXMGDTNIK-INIZCTEOSA-N 2 2 322.456 3.367 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@@H+]1C ZINC001119507833 1096216415 /nfs/dbraw/zinc/21/64/15/1096216415.db2.gz RDNPGFJAZZGKPH-HIFRSBDPSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@H+]1C ZINC001119507833 1096216417 /nfs/dbraw/zinc/21/64/17/1096216417.db2.gz RDNPGFJAZZGKPH-HIFRSBDPSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507833 1096216424 /nfs/dbraw/zinc/21/64/24/1096216424.db2.gz RDNPGFJAZZGKPH-HIFRSBDPSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507833 1096216431 /nfs/dbraw/zinc/21/64/31/1096216431.db2.gz RDNPGFJAZZGKPH-HIFRSBDPSA-N 2 2 312.404 3.245 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541735 1096224470 /nfs/dbraw/zinc/22/44/70/1096224470.db2.gz RYNPXNNNAHRIBF-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541735 1096224479 /nfs/dbraw/zinc/22/44/79/1096224479.db2.gz RYNPXNNNAHRIBF-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001171355163 1096525088 /nfs/dbraw/zinc/52/50/88/1096525088.db2.gz PSECBNDWHVIAMV-SJORKVTESA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001171355163 1096525094 /nfs/dbraw/zinc/52/50/94/1096525094.db2.gz PSECBNDWHVIAMV-SJORKVTESA-N 2 2 320.427 3.286 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171388604 1096638286 /nfs/dbraw/zinc/63/82/86/1096638286.db2.gz PAKWISVJZCCNAA-SWLSCSKDSA-N 2 2 317.383 3.358 20 0 DGADLP CCC(CC)C[NH2+]CCN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273458611 1096650603 /nfs/dbraw/zinc/65/06/03/1096650603.db2.gz QJTDHJWBOFIYBN-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cn3ccccc3n2)CC1(C)C ZINC001171619042 1096935218 /nfs/dbraw/zinc/93/52/18/1096935218.db2.gz FOGSYXRFGRGPBH-UHFFFAOYSA-N 2 2 300.450 3.075 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)cc1 ZINC001171665038 1096942766 /nfs/dbraw/zinc/94/27/66/1096942766.db2.gz FGNMIDBUURJOEL-MJGOQNOKSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)cc1 ZINC001171665038 1096942770 /nfs/dbraw/zinc/94/27/70/1096942770.db2.gz FGNMIDBUURJOEL-MJGOQNOKSA-N 2 2 316.489 3.159 20 0 DGADLP COCC[N@H+]([C@H](C)CCc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001171675846 1096945061 /nfs/dbraw/zinc/94/50/61/1096945061.db2.gz UGFSYXXTFJOUEH-GOSISDBHSA-N 2 2 318.505 3.359 20 0 DGADLP COCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001171675846 1096945065 /nfs/dbraw/zinc/94/50/65/1096945065.db2.gz UGFSYXXTFJOUEH-GOSISDBHSA-N 2 2 318.505 3.359 20 0 DGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2Cc3cccc(F)c3C2)cc1 ZINC001171790410 1096978990 /nfs/dbraw/zinc/97/89/90/1096978990.db2.gz KLYKRBWULOZQKK-INIZCTEOSA-N 2 2 307.372 3.488 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCCC[NH2+]CCCF)c(C)[nH+]1 ZINC001171859387 1096992775 /nfs/dbraw/zinc/99/27/75/1096992775.db2.gz BYQWTIBRWXLKJV-AWEZNQCLSA-N 2 2 323.456 3.245 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001171917161 1097001025 /nfs/dbraw/zinc/00/10/25/1097001025.db2.gz NPXPCUQTAFLXJT-GPANFISMSA-N 2 2 322.493 3.103 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001171917161 1097001031 /nfs/dbraw/zinc/00/10/31/1097001031.db2.gz NPXPCUQTAFLXJT-GPANFISMSA-N 2 2 322.493 3.103 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171964098 1097006973 /nfs/dbraw/zinc/00/69/73/1097006973.db2.gz KNBVHXUOPQSUHZ-GOSISDBHSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171964098 1097006976 /nfs/dbraw/zinc/00/69/76/1097006976.db2.gz KNBVHXUOPQSUHZ-GOSISDBHSA-N 2 2 324.472 3.318 20 0 DGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975720 1097023408 /nfs/dbraw/zinc/02/34/08/1097023408.db2.gz DZWMNRVBEXICCD-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975720 1097023415 /nfs/dbraw/zinc/02/34/15/1097023415.db2.gz DZWMNRVBEXICCD-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975720 1097023420 /nfs/dbraw/zinc/02/34/20/1097023420.db2.gz DZWMNRVBEXICCD-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975720 1097023424 /nfs/dbraw/zinc/02/34/24/1097023424.db2.gz DZWMNRVBEXICCD-AEFFLSMTSA-N 2 2 302.462 3.150 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977547 1097024422 /nfs/dbraw/zinc/02/44/22/1097024422.db2.gz FXELENKHDOGWEA-SFHVURJKSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1nccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977547 1097024428 /nfs/dbraw/zinc/02/44/28/1097024428.db2.gz FXELENKHDOGWEA-SFHVURJKSA-N 2 2 324.472 3.318 20 0 DGADLP C[NH+](C)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064944 1097044309 /nfs/dbraw/zinc/04/43/09/1097044309.db2.gz JFTLRGSNWVNQCG-ACDBMABISA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064944 1097044315 /nfs/dbraw/zinc/04/43/15/1097044315.db2.gz JFTLRGSNWVNQCG-ACDBMABISA-N 3 2 315.505 3.113 20 0 DGADLP [NH3+]CCc1c[nH+]cn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069654 1097046969 /nfs/dbraw/zinc/04/69/69/1097046969.db2.gz WQIODCLQOJSPPB-RUYXUALKSA-N 3 2 324.472 3.143 20 0 DGADLP [NH3+]CCc1c[nH+]cn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069654 1097046975 /nfs/dbraw/zinc/04/69/75/1097046975.db2.gz WQIODCLQOJSPPB-RUYXUALKSA-N 3 2 324.472 3.143 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131118 1097049527 /nfs/dbraw/zinc/04/95/27/1097049527.db2.gz VGZKENFSFYHVGX-AKHDSKFASA-N 2 2 312.457 3.207 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131118 1097049530 /nfs/dbraw/zinc/04/95/30/1097049530.db2.gz VGZKENFSFYHVGX-AKHDSKFASA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131118 1097049532 /nfs/dbraw/zinc/04/95/32/1097049532.db2.gz VGZKENFSFYHVGX-AKHDSKFASA-N 2 2 312.457 3.207 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](C(=O)c3ccccc3)C1)C2 ZINC001172131118 1097049535 /nfs/dbraw/zinc/04/95/35/1097049535.db2.gz VGZKENFSFYHVGX-AKHDSKFASA-N 2 2 312.457 3.207 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172112775 1097055545 /nfs/dbraw/zinc/05/55/45/1097055545.db2.gz CKQSQRYCDKBPBJ-ACDBMABISA-N 3 2 319.537 3.246 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172112775 1097055551 /nfs/dbraw/zinc/05/55/51/1097055551.db2.gz CKQSQRYCDKBPBJ-ACDBMABISA-N 3 2 319.537 3.246 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)C2 ZINC001172116279 1097062330 /nfs/dbraw/zinc/06/23/30/1097062330.db2.gz GPNAAKNDFJZPBX-ACDBMABISA-N 2 2 324.472 3.036 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccn(Cc3ccccc3)n1)C2 ZINC001172116279 1097062337 /nfs/dbraw/zinc/06/23/37/1097062337.db2.gz GPNAAKNDFJZPBX-ACDBMABISA-N 2 2 324.472 3.036 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC001172280071 1097086717 /nfs/dbraw/zinc/08/67/17/1097086717.db2.gz SGIKNUBMFFYYRV-GOSISDBHSA-N 2 2 320.452 3.256 20 0 DGADLP COCCC[NH+]1CCC([NH2+]CC[PH+](C(C)C)C(C)C)CC1 ZINC001172249018 1097090760 /nfs/dbraw/zinc/09/07/60/1097090760.db2.gz GEIHQHDVVYLCEQ-UHFFFAOYSA-N 3 2 316.470 3.376 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H]1C ZINC001172377109 1097113016 /nfs/dbraw/zinc/11/30/16/1097113016.db2.gz XCJQLNVOJOBSPZ-SOLBZPMBSA-N 2 2 316.493 3.119 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H]1C ZINC001172377109 1097113018 /nfs/dbraw/zinc/11/30/18/1097113018.db2.gz XCJQLNVOJOBSPZ-SOLBZPMBSA-N 2 2 316.493 3.119 20 0 DGADLP CC[C@H](CC(C)C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001172404890 1097129991 /nfs/dbraw/zinc/12/99/91/1097129991.db2.gz NNLBDPFEMRDRHV-OAHLLOKOSA-N 2 2 305.466 3.473 20 0 DGADLP CCOCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001172412447 1097132495 /nfs/dbraw/zinc/13/24/95/1097132495.db2.gz XUTHSLWKWFPIAU-INIZCTEOSA-N 2 2 320.477 3.064 20 0 DGADLP CCOCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001172416473 1097133968 /nfs/dbraw/zinc/13/39/68/1097133968.db2.gz NPAMYNWTBILDLP-INIZCTEOSA-N 2 2 320.477 3.064 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)[C@H](C)C2)cc[nH+]1 ZINC001172385493 1097141961 /nfs/dbraw/zinc/14/19/61/1097141961.db2.gz YNAKGQUCIUGPMQ-ZMSDIMECSA-N 2 2 317.477 3.473 20 0 DGADLP CC(C)COCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172482140 1097151478 /nfs/dbraw/zinc/15/14/78/1097151478.db2.gz WYSUCJCKLLOALL-OAHLLOKOSA-N 2 2 323.456 3.230 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206166121 1097181753 /nfs/dbraw/zinc/18/17/53/1097181753.db2.gz QWFJSVCFRISRHN-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206166121 1097181756 /nfs/dbraw/zinc/18/17/56/1097181756.db2.gz QWFJSVCFRISRHN-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001172838337 1097256763 /nfs/dbraw/zinc/25/67/63/1097256763.db2.gz NZEOOSXLEYBSBK-NHCUHLMSSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1Cc3ccccc3C[C@@H]1C[NH3+])CC2 ZINC001172838337 1097256766 /nfs/dbraw/zinc/25/67/66/1097256766.db2.gz NZEOOSXLEYBSBK-NHCUHLMSSA-N 2 2 306.453 3.238 20 0 DGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001172875043 1097271952 /nfs/dbraw/zinc/27/19/52/1097271952.db2.gz HBKUDGWZWUUVBN-GFCCVEGCSA-N 2 2 309.866 3.386 20 0 DGADLP Cc1ccc2[nH+]c(N)n(-c3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC001212693201 1097281783 /nfs/dbraw/zinc/28/17/83/1097281783.db2.gz IHWBYSFWYSNPRZ-UHFFFAOYSA-N 2 2 303.369 3.161 20 0 DGADLP CCOc1cc(Nc2cnn(CC[NH+](CC)CC)c2)cc(C)[nH+]1 ZINC001203252897 1097305894 /nfs/dbraw/zinc/30/58/94/1097305894.db2.gz AVDCCJLQENWBHR-UHFFFAOYSA-N 2 2 317.437 3.071 20 0 DGADLP CCCOC1CCC(n2c[nH+]c(C)c2CSCC[NH3+])CC1 ZINC001173088634 1097317268 /nfs/dbraw/zinc/31/72/68/1097317268.db2.gz DSSLFOQRUYBGSB-UHFFFAOYSA-N 2 2 311.495 3.294 20 0 DGADLP CCCOC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001173089848 1097317725 /nfs/dbraw/zinc/31/77/25/1097317725.db2.gz AMCUKAGSNZIPPA-UHFFFAOYSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001173263218 1097389118 /nfs/dbraw/zinc/38/91/18/1097389118.db2.gz GYPNHMRSVCFOKJ-LPHOPBHVSA-N 2 2 302.462 3.187 20 0 DGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197371 1097409027 /nfs/dbraw/zinc/40/90/27/1097409027.db2.gz HYEGEQYPENIKEC-STQMWFEESA-N 2 2 302.846 3.323 20 0 DGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197371 1097409032 /nfs/dbraw/zinc/40/90/32/1097409032.db2.gz HYEGEQYPENIKEC-STQMWFEESA-N 2 2 302.846 3.323 20 0 DGADLP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277375 1097409629 /nfs/dbraw/zinc/40/96/29/1097409629.db2.gz KGCYWISBJJLEFW-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277375 1097409630 /nfs/dbraw/zinc/40/96/30/1097409630.db2.gz KGCYWISBJJLEFW-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277375 1097409632 /nfs/dbraw/zinc/40/96/32/1097409632.db2.gz KGCYWISBJJLEFW-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001173277375 1097409633 /nfs/dbraw/zinc/40/96/33/1097409633.db2.gz KGCYWISBJJLEFW-RSPOEFSDSA-N 2 2 313.489 3.414 20 0 DGADLP [NH3+][C@H]1CC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700595 1097497556 /nfs/dbraw/zinc/49/75/56/1097497556.db2.gz LBWZVMSIIFLZRU-PMACEKPBSA-N 2 2 322.452 3.156 20 0 DGADLP [NH3+][C@H]1CC[N@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700595 1097497558 /nfs/dbraw/zinc/49/75/58/1097497558.db2.gz LBWZVMSIIFLZRU-PMACEKPBSA-N 2 2 322.452 3.156 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700599 1097497628 /nfs/dbraw/zinc/49/76/28/1097497628.db2.gz LBWZVMSIIFLZRU-WOJBJXKFSA-N 2 2 322.452 3.156 20 0 DGADLP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700599 1097497629 /nfs/dbraw/zinc/49/76/29/1097497629.db2.gz LBWZVMSIIFLZRU-WOJBJXKFSA-N 2 2 322.452 3.156 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700597 1097497775 /nfs/dbraw/zinc/49/77/75/1097497775.db2.gz LBWZVMSIIFLZRU-UXHICEINSA-N 2 2 322.452 3.156 20 0 DGADLP [NH3+][C@@H]1CC[N@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173700597 1097497778 /nfs/dbraw/zinc/49/77/78/1097497778.db2.gz LBWZVMSIIFLZRU-UXHICEINSA-N 2 2 322.452 3.156 20 0 DGADLP CC(C)(C)OC(=O)CC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277553614 1097820623 /nfs/dbraw/zinc/82/06/23/1097820623.db2.gz JKEYRNUHDIELEY-UHFFFAOYSA-N 2 2 322.493 3.059 20 0 DGADLP CC(C)(C)OC(=O)CC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277553614 1097820629 /nfs/dbraw/zinc/82/06/29/1097820629.db2.gz JKEYRNUHDIELEY-UHFFFAOYSA-N 2 2 322.493 3.059 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cccc(OC)c23)CC1 ZINC001232035944 1097922338 /nfs/dbraw/zinc/92/23/38/1097922338.db2.gz TWJZCPJZEGQNJG-UHFFFAOYSA-N 2 2 315.461 3.483 20 0 DGADLP COc1cccc2[nH]cc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c21 ZINC001232038805 1097923452 /nfs/dbraw/zinc/92/34/52/1097923452.db2.gz PZYXNPWVFQBTLC-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP COc1cccc2[nH]cc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c21 ZINC001232038805 1097923455 /nfs/dbraw/zinc/92/34/55/1097923455.db2.gz PZYXNPWVFQBTLC-UHFFFAOYSA-N 2 2 313.445 3.235 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccns3)CC2)c2ccccc2[nH+]1 ZINC001232188567 1097960275 /nfs/dbraw/zinc/96/02/75/1097960275.db2.gz FFLOVXNINTUXKP-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP COCc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001232259117 1097985468 /nfs/dbraw/zinc/98/54/68/1097985468.db2.gz STKHYVJUXVOHSZ-UHFFFAOYSA-N 2 2 317.477 3.067 20 0 DGADLP COCc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001232259117 1097985473 /nfs/dbraw/zinc/98/54/73/1097985473.db2.gz STKHYVJUXVOHSZ-UHFFFAOYSA-N 2 2 317.477 3.067 20 0 DGADLP COCc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001232301608 1097996971 /nfs/dbraw/zinc/99/69/71/1097996971.db2.gz HOGKZVDSPZGYLF-UHFFFAOYSA-N 2 2 320.452 3.231 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001232354097 1098013050 /nfs/dbraw/zinc/01/30/50/1098013050.db2.gz DRAWTHQFVWRALE-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001232354097 1098013056 /nfs/dbraw/zinc/01/30/56/1098013056.db2.gz DRAWTHQFVWRALE-SFHVURJKSA-N 2 2 317.477 3.239 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351388 1098021396 /nfs/dbraw/zinc/02/13/96/1098021396.db2.gz LMCFINTUVSDSII-MSOLQXFVSA-N 2 2 316.493 3.432 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351388 1098021402 /nfs/dbraw/zinc/02/14/02/1098021402.db2.gz LMCFINTUVSDSII-MSOLQXFVSA-N 2 2 316.493 3.432 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351390 1098021613 /nfs/dbraw/zinc/02/16/13/1098021613.db2.gz LMCFINTUVSDSII-QZTJIDSGSA-N 2 2 316.493 3.432 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001175351390 1098021620 /nfs/dbraw/zinc/02/16/20/1098021620.db2.gz LMCFINTUVSDSII-QZTJIDSGSA-N 2 2 316.493 3.432 20 0 DGADLP Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1OC(C)C ZINC001232395393 1098026093 /nfs/dbraw/zinc/02/60/93/1098026093.db2.gz VKGXRWMKPGILJN-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1OC(C)C ZINC001232395393 1098026100 /nfs/dbraw/zinc/02/61/00/1098026100.db2.gz VKGXRWMKPGILJN-IEBWSBKVSA-N 2 2 302.462 3.166 20 0 DGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175504042 1098073953 /nfs/dbraw/zinc/07/39/53/1098073953.db2.gz XEDMBPUWLXGXSP-SJORKVTESA-N 2 2 320.481 3.065 20 0 DGADLP CCOc1ccnc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232584037 1098084256 /nfs/dbraw/zinc/08/42/56/1098084256.db2.gz URCYDETZFRMKPL-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP CCOc1ccnc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232584037 1098084258 /nfs/dbraw/zinc/08/42/58/1098084258.db2.gz URCYDETZFRMKPL-GOSISDBHSA-N 2 2 317.477 3.321 20 0 DGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(Cl)ccnc2F)CC1 ZINC001232617626 1098096079 /nfs/dbraw/zinc/09/60/79/1098096079.db2.gz SZAMZFIKJQQINV-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(Cl)ccnc2F)CC1 ZINC001232617626 1098096085 /nfs/dbraw/zinc/09/60/85/1098096085.db2.gz SZAMZFIKJQQINV-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4ncsc4c3)C[C@H]2C1 ZINC001232744112 1098126366 /nfs/dbraw/zinc/12/63/66/1098126366.db2.gz MJUKHKWJWXCVIL-HUUCEWRRSA-N 2 2 301.459 3.070 20 0 DGADLP Clc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC001175669715 1098131474 /nfs/dbraw/zinc/13/14/74/1098131474.db2.gz RMEOWAGDCVNOMK-MRXNPFEDSA-N 2 2 312.804 3.463 20 0 DGADLP Oc1cnc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233035531 1098207931 /nfs/dbraw/zinc/20/79/31/1098207931.db2.gz FJAFLMSLUMGXSW-OAHLLOKOSA-N 2 2 323.868 3.281 20 0 DGADLP Oc1cnc(Cl)cc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233035531 1098207934 /nfs/dbraw/zinc/20/79/34/1098207934.db2.gz FJAFLMSLUMGXSW-OAHLLOKOSA-N 2 2 323.868 3.281 20 0 DGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccsc1Cl)CC2 ZINC001233058315 1098217689 /nfs/dbraw/zinc/21/76/89/1098217689.db2.gz YBWWIMHLZMIIHY-UHFFFAOYSA-N 2 2 313.854 3.032 20 0 DGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cnc1C ZINC001233162059 1098240933 /nfs/dbraw/zinc/24/09/33/1098240933.db2.gz PXWPBMWSUUUODT-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnn3ccccc23)CC1 ZINC001233240253 1098261046 /nfs/dbraw/zinc/26/10/46/1098261046.db2.gz PCTREOLWVUMFLH-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnn3ccccc23)CC1 ZINC001233240253 1098261051 /nfs/dbraw/zinc/26/10/51/1098261051.db2.gz PCTREOLWVUMFLH-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP COc1c(O)cccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001233258301 1098265143 /nfs/dbraw/zinc/26/51/43/1098265143.db2.gz YMJWWOLAFITABA-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP COc1c(O)cccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001233258301 1098265148 /nfs/dbraw/zinc/26/51/48/1098265148.db2.gz YMJWWOLAFITABA-UHFFFAOYSA-N 2 2 318.461 3.240 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N)cc2Cl)C1 ZINC001233377652 1098309291 /nfs/dbraw/zinc/30/92/91/1098309291.db2.gz NRNOJFPSWYAXNL-OAHLLOKOSA-N 2 2 317.820 3.279 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N)cc2Cl)C1 ZINC001233377652 1098309295 /nfs/dbraw/zinc/30/92/95/1098309295.db2.gz NRNOJFPSWYAXNL-OAHLLOKOSA-N 2 2 317.820 3.279 20 0 DGADLP CCc1ccc[nH+]c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176379275 1098325400 /nfs/dbraw/zinc/32/54/00/1098325400.db2.gz TVVQLEVNSWPWCQ-UHFFFAOYSA-N 2 2 311.429 3.262 20 0 DGADLP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001204174350 1098386231 /nfs/dbraw/zinc/38/62/31/1098386231.db2.gz OQDUZSZEJBEUQB-UHFFFAOYSA-N 2 2 302.462 3.070 20 0 DGADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001204174350 1098386236 /nfs/dbraw/zinc/38/62/36/1098386236.db2.gz OQDUZSZEJBEUQB-UHFFFAOYSA-N 2 2 302.462 3.070 20 0 DGADLP Cc1cc[nH+]c(N2CCC(Oc3ccc4[nH+]ccn4c3)CC2)c1 ZINC001233754078 1098422375 /nfs/dbraw/zinc/42/23/75/1098422375.db2.gz FBWOLDKPKIJGDT-UHFFFAOYSA-N 2 2 308.385 3.086 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC001176992012 1098460743 /nfs/dbraw/zinc/46/07/43/1098460743.db2.gz WILNIPTYDRWTNH-INIZCTEOSA-N 2 2 315.465 3.104 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC001176992012 1098460747 /nfs/dbraw/zinc/46/07/47/1098460747.db2.gz WILNIPTYDRWTNH-INIZCTEOSA-N 2 2 315.465 3.104 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@](C)(CF)C2)ccc1-n1cc[nH+]c1 ZINC001234031910 1098481040 /nfs/dbraw/zinc/48/10/40/1098481040.db2.gz CYCMAFYGBUVJTB-QGZVFWFLSA-N 2 2 303.381 3.062 20 0 DGADLP COc1cc(C[N@H+]2CC[C@](C)(CF)C2)ccc1-n1cc[nH+]c1 ZINC001234031910 1098481045 /nfs/dbraw/zinc/48/10/45/1098481045.db2.gz CYCMAFYGBUVJTB-QGZVFWFLSA-N 2 2 303.381 3.062 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001177471277 1098535927 /nfs/dbraw/zinc/53/59/27/1098535927.db2.gz NIEWKUHETDCKQB-CRAIPNDOSA-N 2 2 317.408 3.305 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001177483432 1098539954 /nfs/dbraw/zinc/53/99/54/1098539954.db2.gz RNMZPFGMFAOQMY-AWEZNQCLSA-N 2 2 309.885 3.228 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)C1 ZINC001177483432 1098539961 /nfs/dbraw/zinc/53/99/61/1098539961.db2.gz RNMZPFGMFAOQMY-AWEZNQCLSA-N 2 2 309.885 3.228 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234993754 1098739564 /nfs/dbraw/zinc/73/95/64/1098739564.db2.gz RNZPKWAGGUERER-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234993754 1098739566 /nfs/dbraw/zinc/73/95/66/1098739566.db2.gz RNZPKWAGGUERER-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023384 1098755840 /nfs/dbraw/zinc/75/58/40/1098755840.db2.gz AFMWGKBEXSDZPN-UHFFFAOYSA-N 2 2 308.425 3.061 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023384 1098755856 /nfs/dbraw/zinc/75/58/56/1098755856.db2.gz AFMWGKBEXSDZPN-UHFFFAOYSA-N 2 2 308.425 3.061 20 0 DGADLP CCOc1nccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037034 1098765757 /nfs/dbraw/zinc/76/57/57/1098765757.db2.gz CXNVTILJFGYNAJ-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1nccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1Cl ZINC001235037034 1098765763 /nfs/dbraw/zinc/76/57/63/1098765763.db2.gz CXNVTILJFGYNAJ-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040484 1098765969 /nfs/dbraw/zinc/76/59/69/1098765969.db2.gz STAPIVVANROBEZ-IBGZPJMESA-N 2 2 318.461 3.202 20 0 DGADLP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235040484 1098765971 /nfs/dbraw/zinc/76/59/71/1098765971.db2.gz STAPIVVANROBEZ-IBGZPJMESA-N 2 2 318.461 3.202 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235043635 1098772077 /nfs/dbraw/zinc/77/20/77/1098772077.db2.gz GEAQYHRWHIWPBG-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235043635 1098772090 /nfs/dbraw/zinc/77/20/90/1098772090.db2.gz GEAQYHRWHIWPBG-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046499 1098775020 /nfs/dbraw/zinc/77/50/20/1098775020.db2.gz QSYMFKUJGSAZMA-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046499 1098775031 /nfs/dbraw/zinc/77/50/31/1098775031.db2.gz QSYMFKUJGSAZMA-QGZVFWFLSA-N 2 2 308.853 3.457 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c(Cl)c1 ZINC001235086194 1098791072 /nfs/dbraw/zinc/79/10/72/1098791072.db2.gz ALVRIOSLPXYYFJ-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c(Cl)c1 ZINC001235086194 1098791085 /nfs/dbraw/zinc/79/10/85/1098791085.db2.gz ALVRIOSLPXYYFJ-HNNXBMFYSA-N 2 2 314.807 3.469 20 0 DGADLP CC1(C)CCc2cc(C[NH+]3CCC4(CC[NH2+]4)CC3)ccc2O1 ZINC001235106843 1098808181 /nfs/dbraw/zinc/80/81/81/1098808181.db2.gz RSGVBHDKMWIHSB-UHFFFAOYSA-N 2 2 300.446 3.118 20 0 DGADLP Cc1c(C)c(C)c(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c(C)c1C ZINC001235115022 1098814672 /nfs/dbraw/zinc/81/46/72/1098814672.db2.gz DSHCRWZBEWZADK-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP Cc1c(C)c(C)c(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c(C)c1C ZINC001235115022 1098814688 /nfs/dbraw/zinc/81/46/88/1098814688.db2.gz DSHCRWZBEWZADK-FQEVSTJZSA-N 2 2 316.489 3.183 20 0 DGADLP c1cc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001235119233 1098820758 /nfs/dbraw/zinc/82/07/58/1098820758.db2.gz YQHHJAFHZLNVRK-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc(-c2ccncc2)c1 ZINC001235119233 1098820788 /nfs/dbraw/zinc/82/07/88/1098820788.db2.gz YQHHJAFHZLNVRK-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP C[C@@H](C[N@@H+]1CCOCC12CC[NH2+]CC2)c1cccc2ccccc21 ZINC001235128612 1098827112 /nfs/dbraw/zinc/82/71/12/1098827112.db2.gz IZDVEDKFIOCBMX-KRWDZBQOSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@@H](C[N@H+]1CCOCC12CC[NH2+]CC2)c1cccc2ccccc21 ZINC001235128612 1098827126 /nfs/dbraw/zinc/82/71/26/1098827126.db2.gz IZDVEDKFIOCBMX-KRWDZBQOSA-N 2 2 324.468 3.398 20 0 DGADLP Clc1ccc2c(c1)[nH]nc2C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235131836 1098828963 /nfs/dbraw/zinc/82/89/63/1098828963.db2.gz COCLNKSBJPTPJF-UHFFFAOYSA-N 2 2 318.852 3.182 20 0 DGADLP Fc1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(F)c(F)c1F ZINC001235133650 1098831592 /nfs/dbraw/zinc/83/15/92/1098831592.db2.gz QXSJFFGMOILISR-UHFFFAOYSA-N 2 2 316.342 3.209 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170291 1098853219 /nfs/dbraw/zinc/85/32/19/1098853219.db2.gz DOSPMNFNXXRAPK-SFHVURJKSA-N 2 2 324.415 3.439 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170291 1098853229 /nfs/dbraw/zinc/85/32/29/1098853229.db2.gz DOSPMNFNXXRAPK-SFHVURJKSA-N 2 2 324.415 3.439 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)cc2)cc1 ZINC001235173016 1098855309 /nfs/dbraw/zinc/85/53/09/1098855309.db2.gz OSLFITIWRVAALG-PZJWPPBQSA-N 2 2 321.468 3.343 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)cc2)cc1 ZINC001235173016 1098855318 /nfs/dbraw/zinc/85/53/18/1098855318.db2.gz OSLFITIWRVAALG-PZJWPPBQSA-N 2 2 321.468 3.343 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1C ZINC001235175496 1098856107 /nfs/dbraw/zinc/85/61/07/1098856107.db2.gz WQEDRIRXLGAFNM-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1C ZINC001235175496 1098856116 /nfs/dbraw/zinc/85/61/16/1098856116.db2.gz WQEDRIRXLGAFNM-LJQANCHMSA-N 2 2 302.462 3.420 20 0 DGADLP Oc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c2cccnc12 ZINC001235177451 1098859470 /nfs/dbraw/zinc/85/94/70/1098859470.db2.gz JGYITDIQOYNRAQ-IBGZPJMESA-N 2 2 311.429 3.049 20 0 DGADLP Oc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c2cccnc12 ZINC001235177451 1098859479 /nfs/dbraw/zinc/85/94/79/1098859479.db2.gz JGYITDIQOYNRAQ-IBGZPJMESA-N 2 2 311.429 3.049 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235183551 1098862713 /nfs/dbraw/zinc/86/27/13/1098862713.db2.gz BBDZXXZHBQPMKL-HIFRSBDPSA-N 2 2 323.278 3.053 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235183551 1098862720 /nfs/dbraw/zinc/86/27/20/1098862720.db2.gz BBDZXXZHBQPMKL-HIFRSBDPSA-N 2 2 323.278 3.053 20 0 DGADLP Fc1ccnc(Cl)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235235760 1098909456 /nfs/dbraw/zinc/90/94/56/1098909456.db2.gz ALSTZNRGAODAQC-OAHLLOKOSA-N 2 2 311.832 3.228 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235244757 1098918958 /nfs/dbraw/zinc/91/89/58/1098918958.db2.gz IYMLKEKXVWRBSM-UKRRQHHQSA-N 2 2 314.351 3.207 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235244757 1098918960 /nfs/dbraw/zinc/91/89/60/1098918960.db2.gz IYMLKEKXVWRBSM-UKRRQHHQSA-N 2 2 314.351 3.207 20 0 DGADLP COc1ccccc1C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249020 1098923029 /nfs/dbraw/zinc/92/30/29/1098923029.db2.gz HZHPYIOFZCAORB-TZIWHRDSSA-N 2 2 322.452 3.417 20 0 DGADLP COc1ccccc1C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249020 1098923037 /nfs/dbraw/zinc/92/30/37/1098923037.db2.gz HZHPYIOFZCAORB-TZIWHRDSSA-N 2 2 322.452 3.417 20 0 DGADLP CCc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001235267562 1098937952 /nfs/dbraw/zinc/93/79/52/1098937952.db2.gz UBMTVFVCNZQENS-UHFFFAOYSA-N 2 2 301.478 3.483 20 0 DGADLP CCc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001235267562 1098937961 /nfs/dbraw/zinc/93/79/61/1098937961.db2.gz UBMTVFVCNZQENS-UHFFFAOYSA-N 2 2 301.478 3.483 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235276512 1098941467 /nfs/dbraw/zinc/94/14/67/1098941467.db2.gz ZEEAOXOLNWPMIZ-JSGCOSHPSA-N 2 2 316.392 3.482 20 0 DGADLP FC(F)(F)Sc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235276512 1098941480 /nfs/dbraw/zinc/94/14/80/1098941480.db2.gz ZEEAOXOLNWPMIZ-JSGCOSHPSA-N 2 2 316.392 3.482 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409376 1099006486 /nfs/dbraw/zinc/00/64/86/1099006486.db2.gz WLZAHDQGXREGPK-DLBZAZTESA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409376 1099006496 /nfs/dbraw/zinc/00/64/96/1099006496.db2.gz WLZAHDQGXREGPK-DLBZAZTESA-N 2 2 321.827 3.345 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccncc1 ZINC001235624469 1099102000 /nfs/dbraw/zinc/10/20/00/1099102000.db2.gz XNXIESIBJYQBCN-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1-c1ccncc1 ZINC001235624469 1099102003 /nfs/dbraw/zinc/10/20/03/1099102003.db2.gz XNXIESIBJYQBCN-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CCc1sc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1Br ZINC001235673667 1099115798 /nfs/dbraw/zinc/11/57/98/1099115798.db2.gz CDZIJXRGGZXRAL-JTQLQIEISA-N 2 2 317.296 3.244 20 0 DGADLP CCc1sc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1Br ZINC001235673667 1099115802 /nfs/dbraw/zinc/11/58/02/1099115802.db2.gz CDZIJXRGGZXRAL-JTQLQIEISA-N 2 2 317.296 3.244 20 0 DGADLP Fc1ccc(-c2cccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)n2)cc1 ZINC001235712265 1099141284 /nfs/dbraw/zinc/14/12/84/1099141284.db2.gz ZVSZQSFGPLHEPL-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP Fc1ccc(-c2cccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)n2)cc1 ZINC001235712265 1099141290 /nfs/dbraw/zinc/14/12/90/1099141290.db2.gz ZVSZQSFGPLHEPL-UHFFFAOYSA-N 2 2 311.404 3.073 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC001235724718 1099147320 /nfs/dbraw/zinc/14/73/20/1099147320.db2.gz GUTHDDFVZQLUSZ-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC001235724718 1099147325 /nfs/dbraw/zinc/14/73/25/1099147325.db2.gz GUTHDDFVZQLUSZ-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001235725855 1099149504 /nfs/dbraw/zinc/14/95/04/1099149504.db2.gz PKAILQZBNMYUTP-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001235725855 1099149508 /nfs/dbraw/zinc/14/95/08/1099149508.db2.gz PKAILQZBNMYUTP-INIZCTEOSA-N 2 2 301.821 3.325 20 0 DGADLP CCCCc1[nH]c(CN2CC[NH2+]C[C@@H]2c2ccccc2F)c[nH+]1 ZINC001235736942 1099155514 /nfs/dbraw/zinc/15/55/14/1099155514.db2.gz QVTGJOWHCZARKZ-QGZVFWFLSA-N 2 2 316.424 3.038 20 0 DGADLP CCCCc1[nH]cc(CN2CC[NH2+]C[C@@H]2c2ccccc2F)[nH+]1 ZINC001235736942 1099155515 /nfs/dbraw/zinc/15/55/15/1099155515.db2.gz QVTGJOWHCZARKZ-QGZVFWFLSA-N 2 2 316.424 3.038 20 0 DGADLP CC(C)c1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC001235751449 1099165157 /nfs/dbraw/zinc/16/51/57/1099165157.db2.gz ZPZWWABBOIZTPT-LBPRGKRZSA-N 2 2 311.267 3.353 20 0 DGADLP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC001235751449 1099165160 /nfs/dbraw/zinc/16/51/60/1099165160.db2.gz ZPZWWABBOIZTPT-LBPRGKRZSA-N 2 2 311.267 3.353 20 0 DGADLP COCCC[N@H+](Cc1ccc(CC(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808290 1099188976 /nfs/dbraw/zinc/18/89/76/1099188976.db2.gz ZSZIRCGSRIOZRA-HXUWFJFHSA-N 2 2 318.505 3.476 20 0 DGADLP COCCC[N@@H+](Cc1ccc(CC(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808290 1099188978 /nfs/dbraw/zinc/18/89/78/1099188978.db2.gz ZSZIRCGSRIOZRA-HXUWFJFHSA-N 2 2 318.505 3.476 20 0 DGADLP CCCOc1ccc(C[N@H+](CCCOC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001235808594 1099189844 /nfs/dbraw/zinc/18/98/44/1099189844.db2.gz VWLZQGYTFXLQEN-GOSISDBHSA-N 2 2 320.477 3.066 20 0 DGADLP CCCOc1ccc(C[N@@H+](CCCOC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001235808594 1099189848 /nfs/dbraw/zinc/18/98/48/1099189848.db2.gz VWLZQGYTFXLQEN-GOSISDBHSA-N 2 2 320.477 3.066 20 0 DGADLP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1C(F)(F)F ZINC001235839766 1099202843 /nfs/dbraw/zinc/20/28/43/1099202843.db2.gz XQRJKRYZWSFOLD-ZDUSSCGKSA-N 2 2 316.367 3.252 20 0 DGADLP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1C(F)(F)F ZINC001235839766 1099202845 /nfs/dbraw/zinc/20/28/45/1099202845.db2.gz XQRJKRYZWSFOLD-ZDUSSCGKSA-N 2 2 316.367 3.252 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC001235925138 1099261583 /nfs/dbraw/zinc/26/15/83/1099261583.db2.gz CMBONQWGOKIGIM-LBPRGKRZSA-N 2 2 304.768 3.255 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC001235925138 1099261591 /nfs/dbraw/zinc/26/15/91/1099261591.db2.gz CMBONQWGOKIGIM-LBPRGKRZSA-N 2 2 304.768 3.255 20 0 DGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c(Br)c1 ZINC001235925875 1099263296 /nfs/dbraw/zinc/26/32/96/1099263296.db2.gz QJZFPTINUYWLFR-NSHDSACASA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(F)c(C[N@H+]2CCC[C@H]2CC[NH3+])c(Br)c1 ZINC001235925875 1099263301 /nfs/dbraw/zinc/26/33/01/1099263301.db2.gz QJZFPTINUYWLFR-NSHDSACASA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC001235941240 1099276650 /nfs/dbraw/zinc/27/66/50/1099276650.db2.gz VDVRPTMYSJHEKO-LSDHHAIUSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C)c1Br ZINC001235941240 1099276657 /nfs/dbraw/zinc/27/66/57/1099276657.db2.gz VDVRPTMYSJHEKO-LSDHHAIUSA-N 2 2 323.278 3.107 20 0 DGADLP CC(C)[N@H+](CC[NH3+])Cc1cc2cc(Br)ccc2[nH]1 ZINC001235947667 1099281305 /nfs/dbraw/zinc/28/13/05/1099281305.db2.gz MNAGZIGBLMFLPT-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CC(C)[N@@H+](CC[NH3+])Cc1cc2cc(Br)ccc2[nH]1 ZINC001235947667 1099281312 /nfs/dbraw/zinc/28/13/12/1099281312.db2.gz MNAGZIGBLMFLPT-UHFFFAOYSA-N 2 2 310.239 3.100 20 0 DGADLP CCOc1c(Cl)ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1F ZINC001235956306 1099287234 /nfs/dbraw/zinc/28/72/34/1099287234.db2.gz CEGLUZYMWDUNAN-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP CCOc1c(Cl)ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1F ZINC001235956306 1099287243 /nfs/dbraw/zinc/28/72/43/1099287243.db2.gz CEGLUZYMWDUNAN-LBPRGKRZSA-N 2 2 314.832 3.309 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1Cl ZINC001235959584 1099291194 /nfs/dbraw/zinc/29/11/94/1099291194.db2.gz KGPWQBIAEQHXTL-XOIINTDNSA-N 2 2 308.853 3.296 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1Cl ZINC001235959584 1099291200 /nfs/dbraw/zinc/29/12/00/1099291200.db2.gz KGPWQBIAEQHXTL-XOIINTDNSA-N 2 2 308.853 3.296 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979830 1099308374 /nfs/dbraw/zinc/30/83/74/1099308374.db2.gz LCICOJMFMZODFL-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979830 1099308386 /nfs/dbraw/zinc/30/83/86/1099308386.db2.gz LCICOJMFMZODFL-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979832 1099308913 /nfs/dbraw/zinc/30/89/13/1099308913.db2.gz LCICOJMFMZODFL-QUCCMNQESA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979832 1099308926 /nfs/dbraw/zinc/30/89/26/1099308926.db2.gz LCICOJMFMZODFL-QUCCMNQESA-N 2 2 308.425 3.189 20 0 DGADLP Fc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(F)c1Cl ZINC001236009081 1099331164 /nfs/dbraw/zinc/33/11/64/1099331164.db2.gz LCZCUDBCCYRJOI-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP Fc1cc(Cl)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1F ZINC001236010813 1099334050 /nfs/dbraw/zinc/33/40/50/1099334050.db2.gz YCTZILQSYLUSBJ-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP CC[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@H]1CCC[NH2+]C1 ZINC001236009555 1099334247 /nfs/dbraw/zinc/33/42/47/1099334247.db2.gz NJPOVAACYXUENW-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP CC[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@H]1CCC[NH2+]C1 ZINC001236009555 1099334261 /nfs/dbraw/zinc/33/42/61/1099334261.db2.gz NJPOVAACYXUENW-AWEZNQCLSA-N 2 2 303.837 3.462 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236068233 1099368130 /nfs/dbraw/zinc/36/81/30/1099368130.db2.gz WLOUNHYCFDXHHL-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)C1 ZINC001236068233 1099368145 /nfs/dbraw/zinc/36/81/45/1099368145.db2.gz WLOUNHYCFDXHHL-JTQLQIEISA-N 2 2 322.758 3.280 20 0 DGADLP COc1cccc(C[N@H+](C)CCC[NH2+]C2CCCCC2)c1OC ZINC001236072271 1099369749 /nfs/dbraw/zinc/36/97/49/1099369749.db2.gz QLSOHXHQIOZFCK-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP COc1cccc(C[N@@H+](C)CCC[NH2+]C2CCCCC2)c1OC ZINC001236072271 1099369761 /nfs/dbraw/zinc/36/97/61/1099369761.db2.gz QLSOHXHQIOZFCK-UHFFFAOYSA-N 2 2 320.477 3.448 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072769 1099370402 /nfs/dbraw/zinc/37/04/02/1099370402.db2.gz WWKJCMYYDDWGBR-QMTHXVAHSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001236072769 1099370418 /nfs/dbraw/zinc/37/04/18/1099370418.db2.gz WWKJCMYYDDWGBR-QMTHXVAHSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CCc2ccc(Cl)cc21 ZINC001236085669 1099376523 /nfs/dbraw/zinc/37/65/23/1099376523.db2.gz UYYLQQGUUJGWLC-WFASDCNBSA-N 2 2 308.853 3.026 20 0 DGADLP C[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CCc2ccc(Cl)cc21 ZINC001236085669 1099376537 /nfs/dbraw/zinc/37/65/37/1099376537.db2.gz UYYLQQGUUJGWLC-WFASDCNBSA-N 2 2 308.853 3.026 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C[C@@H]1[NH3+] ZINC001236093875 1099382357 /nfs/dbraw/zinc/38/23/57/1099382357.db2.gz MRNIYPUZMIIUAF-WBMJQRKESA-N 2 2 301.821 3.181 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C[C@@H]1[NH3+] ZINC001236093875 1099382365 /nfs/dbraw/zinc/38/23/65/1099382365.db2.gz MRNIYPUZMIIUAF-WBMJQRKESA-N 2 2 301.821 3.181 20 0 DGADLP CSc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236110115 1099399325 /nfs/dbraw/zinc/39/93/25/1099399325.db2.gz YTYGWMDTUQGJEW-DZGCQCFKSA-N 2 2 306.475 3.270 20 0 DGADLP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236110115 1099399339 /nfs/dbraw/zinc/39/93/39/1099399339.db2.gz YTYGWMDTUQGJEW-DZGCQCFKSA-N 2 2 306.475 3.270 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2OC)c1 ZINC001236144088 1099430134 /nfs/dbraw/zinc/43/01/34/1099430134.db2.gz PJWAOOMJOYHVJL-UHFFFAOYSA-N 2 2 302.393 3.282 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2OC)c1 ZINC001236144088 1099430138 /nfs/dbraw/zinc/43/01/38/1099430138.db2.gz PJWAOOMJOYHVJL-UHFFFAOYSA-N 2 2 302.393 3.282 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1F)C1(C)CC[NH2+]CC1 ZINC001236224179 1099481742 /nfs/dbraw/zinc/48/17/42/1099481742.db2.gz RUOXVPOHTKBZMW-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236205813 1099462294 /nfs/dbraw/zinc/46/22/94/1099462294.db2.gz HAKNKLGVWJWGEF-HNNXBMFYSA-N 2 2 316.367 3.468 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236205813 1099462296 /nfs/dbraw/zinc/46/22/96/1099462296.db2.gz HAKNKLGVWJWGEF-HNNXBMFYSA-N 2 2 316.367 3.468 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1F)C1(C)CC[NH2+]CC1 ZINC001236224179 1099481736 /nfs/dbraw/zinc/48/17/36/1099481736.db2.gz RUOXVPOHTKBZMW-UHFFFAOYSA-N 2 2 315.230 3.162 20 0 DGADLP COCC[N@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236327205 1099541133 /nfs/dbraw/zinc/54/11/33/1099541133.db2.gz FBRBLVKPABWRHV-MRXNPFEDSA-N 2 2 316.420 3.179 20 0 DGADLP COCC[N@@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001236327205 1099541145 /nfs/dbraw/zinc/54/11/45/1099541145.db2.gz FBRBLVKPABWRHV-MRXNPFEDSA-N 2 2 316.420 3.179 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001203663820 1099541927 /nfs/dbraw/zinc/54/19/27/1099541927.db2.gz SYGJXDGLGORIBS-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP Oc1cc(F)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236374180 1099560854 /nfs/dbraw/zinc/56/08/54/1099560854.db2.gz CBVDSSVDRCIMNA-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1cc(F)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236374180 1099560865 /nfs/dbraw/zinc/56/08/65/1099560865.db2.gz CBVDSSVDRCIMNA-CYBMUJFWSA-N 2 2 324.415 3.415 20 0 DGADLP Fc1ccc(C[N@H+](CCC2CCOCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389143 1099569802 /nfs/dbraw/zinc/56/98/02/1099569802.db2.gz STNSSJPFMKAUQC-IBGZPJMESA-N 2 2 320.452 3.196 20 0 DGADLP Fc1ccc(C[N@@H+](CCC2CCOCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389143 1099569818 /nfs/dbraw/zinc/56/98/18/1099569818.db2.gz STNSSJPFMKAUQC-IBGZPJMESA-N 2 2 320.452 3.196 20 0 DGADLP COC(C)(C)CC[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236396704 1099573030 /nfs/dbraw/zinc/57/30/30/1099573030.db2.gz ZUOIZNPICRICGD-QGZVFWFLSA-N 2 2 308.441 3.195 20 0 DGADLP COC(C)(C)CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236396704 1099573041 /nfs/dbraw/zinc/57/30/41/1099573041.db2.gz ZUOIZNPICRICGD-QGZVFWFLSA-N 2 2 308.441 3.195 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236407075 1099579585 /nfs/dbraw/zinc/57/95/85/1099579585.db2.gz BMKNMASMCLWQHQ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236407075 1099579591 /nfs/dbraw/zinc/57/95/91/1099579591.db2.gz BMKNMASMCLWQHQ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434934 1099610965 /nfs/dbraw/zinc/61/09/65/1099610965.db2.gz YFZLPKGOBYNLFQ-OCCSQVGLSA-N 2 2 302.340 3.459 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434934 1099610967 /nfs/dbraw/zinc/61/09/67/1099610967.db2.gz YFZLPKGOBYNLFQ-OCCSQVGLSA-N 2 2 302.340 3.459 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434935 1099611049 /nfs/dbraw/zinc/61/10/49/1099611049.db2.gz YFZLPKGOBYNLFQ-TZMCWYRMSA-N 2 2 302.340 3.459 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434935 1099611051 /nfs/dbraw/zinc/61/10/51/1099611051.db2.gz YFZLPKGOBYNLFQ-TZMCWYRMSA-N 2 2 302.340 3.459 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236521582 1099657080 /nfs/dbraw/zinc/65/70/80/1099657080.db2.gz FXMYHZWQEJGXPQ-QGZVFWFLSA-N 2 2 306.494 3.415 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236521582 1099657084 /nfs/dbraw/zinc/65/70/84/1099657084.db2.gz FXMYHZWQEJGXPQ-QGZVFWFLSA-N 2 2 306.494 3.415 20 0 DGADLP [NH3+]CC[N@H+](CCCCOCc1ccccc1)Cc1ccccc1 ZINC001236521783 1099657757 /nfs/dbraw/zinc/65/77/57/1099657757.db2.gz URXJKHQFBBMEBH-UHFFFAOYSA-N 2 2 312.457 3.444 20 0 DGADLP [NH3+]CC[N@@H+](CCCCOCc1ccccc1)Cc1ccccc1 ZINC001236521783 1099657762 /nfs/dbraw/zinc/65/77/62/1099657762.db2.gz URXJKHQFBBMEBH-UHFFFAOYSA-N 2 2 312.457 3.444 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236525713 1099660443 /nfs/dbraw/zinc/66/04/43/1099660443.db2.gz BMECISLYICTQRS-OAHLLOKOSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236525713 1099660447 /nfs/dbraw/zinc/66/04/47/1099660447.db2.gz BMECISLYICTQRS-OAHLLOKOSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1Br ZINC001236529936 1099664777 /nfs/dbraw/zinc/66/47/77/1099664777.db2.gz OAIBNXINKQAUTN-AWEZNQCLSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1Br ZINC001236529936 1099664780 /nfs/dbraw/zinc/66/47/80/1099664780.db2.gz OAIBNXINKQAUTN-AWEZNQCLSA-N 2 2 311.267 3.330 20 0 DGADLP COC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902487 1099866603 /nfs/dbraw/zinc/86/66/03/1099866603.db2.gz FPLORGXWSVNIPX-AWEZNQCLSA-N 2 2 305.809 3.137 20 0 DGADLP COC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902487 1099866612 /nfs/dbraw/zinc/86/66/12/1099866612.db2.gz FPLORGXWSVNIPX-AWEZNQCLSA-N 2 2 305.809 3.137 20 0 DGADLP COc1ccccc1N(C)c1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236903988 1099866729 /nfs/dbraw/zinc/86/67/29/1099866729.db2.gz IPDUWVVBYZNYJK-HNNXBMFYSA-N 2 2 313.445 3.242 20 0 DGADLP COc1ccccc1N(C)c1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236903988 1099866734 /nfs/dbraw/zinc/86/67/34/1099866734.db2.gz IPDUWVVBYZNYJK-HNNXBMFYSA-N 2 2 313.445 3.242 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@]23CCOC3)ccc1-n1cc[nH+]c1 ZINC001236907329 1099868632 /nfs/dbraw/zinc/86/86/32/1099868632.db2.gz BSVRZGDMYYQRKX-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@]23CCOC3)ccc1-n1cc[nH+]c1 ZINC001236907329 1099868641 /nfs/dbraw/zinc/86/86/41/1099868641.db2.gz BSVRZGDMYYQRKX-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP COC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236913259 1099872434 /nfs/dbraw/zinc/87/24/34/1099872434.db2.gz JSJYKQUFHZLYNG-OAHLLOKOSA-N 2 2 305.809 3.137 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001236913282 1099874648 /nfs/dbraw/zinc/87/46/48/1099874648.db2.gz KXKXIPGPOBTVCV-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP FC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C[C@H]12 ZINC001236918218 1099876904 /nfs/dbraw/zinc/87/69/04/1099876904.db2.gz YSWWDWFDESOLTA-QKDCVEJESA-N 2 2 305.784 3.173 20 0 DGADLP Cc1ccc(-c2cncc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c2)cc1 ZINC001237001441 1099920008 /nfs/dbraw/zinc/92/00/08/1099920008.db2.gz DMXJTYRIUDENGO-NHCUHLMSSA-N 2 2 321.468 3.441 20 0 DGADLP Cc1ccc(-c2cncc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c2)cc1 ZINC001237001441 1099920017 /nfs/dbraw/zinc/92/00/17/1099920017.db2.gz DMXJTYRIUDENGO-NHCUHLMSSA-N 2 2 321.468 3.441 20 0 DGADLP COc1ccc(CCC[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001237019598 1099930213 /nfs/dbraw/zinc/93/02/13/1099930213.db2.gz HUQIRGIVTWOXOM-IBGZPJMESA-N 2 2 310.441 3.013 20 0 DGADLP COc1ccc(CCC[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001237019598 1099930220 /nfs/dbraw/zinc/93/02/20/1099930220.db2.gz HUQIRGIVTWOXOM-IBGZPJMESA-N 2 2 310.441 3.013 20 0 DGADLP [NH3+]CCCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042563 1099940230 /nfs/dbraw/zinc/94/02/30/1099940230.db2.gz NXDLZBMWCAOMPA-HNNXBMFYSA-N 2 2 314.395 3.454 20 0 DGADLP [NH3+]CCCCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001237042563 1099940239 /nfs/dbraw/zinc/94/02/39/1099940239.db2.gz NXDLZBMWCAOMPA-HNNXBMFYSA-N 2 2 314.395 3.454 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001237056251 1099948663 /nfs/dbraw/zinc/94/86/63/1099948663.db2.gz HQDRZXQXZXCLJV-AWEZNQCLSA-N 2 2 304.331 3.405 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001237056251 1099948668 /nfs/dbraw/zinc/94/86/68/1099948668.db2.gz HQDRZXQXZXCLJV-AWEZNQCLSA-N 2 2 304.331 3.405 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CO1 ZINC001237058189 1099949292 /nfs/dbraw/zinc/94/92/92/1099949292.db2.gz WPBCYLZQAJDLBD-JKSUJKDBSA-N 2 2 310.388 3.216 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CO1 ZINC001237058189 1099949304 /nfs/dbraw/zinc/94/93/04/1099949304.db2.gz WPBCYLZQAJDLBD-JKSUJKDBSA-N 2 2 310.388 3.216 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141178 1099993426 /nfs/dbraw/zinc/99/34/26/1099993426.db2.gz FFQOGEBWKVJQSW-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141178 1099993429 /nfs/dbraw/zinc/99/34/29/1099993429.db2.gz FFQOGEBWKVJQSW-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP Clc1cc2c(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c[nH]c2cn1 ZINC001237156622 1100005366 /nfs/dbraw/zinc/00/53/66/1100005366.db2.gz PIDLGMIMMLPAGJ-AWEZNQCLSA-N 2 2 318.852 3.323 20 0 DGADLP Clc1cc2c(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c[nH]c2cn1 ZINC001237156622 1100005373 /nfs/dbraw/zinc/00/53/73/1100005373.db2.gz PIDLGMIMMLPAGJ-AWEZNQCLSA-N 2 2 318.852 3.323 20 0 DGADLP CN(C)c1ccccc1C[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237304184 1100070676 /nfs/dbraw/zinc/07/06/76/1100070676.db2.gz DYLOIMZLVICGLH-UHFFFAOYSA-N 2 2 321.468 3.347 20 0 DGADLP CN(C)c1ccccc1C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237304184 1100070684 /nfs/dbraw/zinc/07/06/84/1100070684.db2.gz DYLOIMZLVICGLH-UHFFFAOYSA-N 2 2 321.468 3.347 20 0 DGADLP c1ccc2c(c1)C[N@@H+](Cc1cccc3c1NCC3)C21CC[NH2+]CC1 ZINC001237312127 1100073506 /nfs/dbraw/zinc/07/35/06/1100073506.db2.gz ZUKNEZGBEWAPGS-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP c1ccc2c(c1)C[N@H+](Cc1cccc3c1NCC3)C21CC[NH2+]CC1 ZINC001237312127 1100073510 /nfs/dbraw/zinc/07/35/10/1100073510.db2.gz ZUKNEZGBEWAPGS-UHFFFAOYSA-N 2 2 319.452 3.249 20 0 DGADLP CCOC(=O)C[N@H+](CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001190549472 1100291746 /nfs/dbraw/zinc/29/17/46/1100291746.db2.gz AFWNGFAFFAKBQX-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP CCOC(=O)C[N@@H+](CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001190549472 1100291752 /nfs/dbraw/zinc/29/17/52/1100291752.db2.gz AFWNGFAFFAKBQX-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238000559 1100320432 /nfs/dbraw/zinc/32/04/32/1100320432.db2.gz KQNWWCURDQACCT-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238000559 1100320442 /nfs/dbraw/zinc/32/04/42/1100320442.db2.gz KQNWWCURDQACCT-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP Fc1ccc(O[C@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238114393 1100364156 /nfs/dbraw/zinc/36/41/56/1100364156.db2.gz UDTHSEAXUHTYOS-SFHVURJKSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1ccc(O[C@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)cc1 ZINC001238114393 1100364163 /nfs/dbraw/zinc/36/41/63/1100364163.db2.gz UDTHSEAXUHTYOS-SFHVURJKSA-N 2 2 311.360 3.127 20 0 DGADLP c1cc(-c2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2)n[nH]1 ZINC001238196513 1100388305 /nfs/dbraw/zinc/38/83/05/1100388305.db2.gz DQPQZMSKZFQDLL-UHFFFAOYSA-N 2 2 310.445 3.137 20 0 DGADLP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449966 1100460098 /nfs/dbraw/zinc/46/00/98/1100460098.db2.gz KSUNURCLAVULDJ-CXAGYDPISA-N 2 2 317.477 3.199 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449966 1100460101 /nfs/dbraw/zinc/46/01/01/1100460101.db2.gz KSUNURCLAVULDJ-CXAGYDPISA-N 2 2 317.477 3.199 20 0 DGADLP CC[NH+](CC)CCn1cc(-c2ccc(-c3c[nH+]cn3C)cc2)cn1 ZINC001239214811 1100601159 /nfs/dbraw/zinc/60/11/59/1100601159.db2.gz PMXZSSMCFASJRO-UHFFFAOYSA-N 2 2 323.444 3.292 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205601668 1100625097 /nfs/dbraw/zinc/62/50/97/1100625097.db2.gz FYWBIEXWOSKIBD-DTWKUNHWSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@@H]1C[NH3+] ZINC001205601668 1100625099 /nfs/dbraw/zinc/62/50/99/1100625099.db2.gz FYWBIEXWOSKIBD-DTWKUNHWSA-N 2 2 322.321 3.189 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3cnccc32)C1 ZINC001240009936 1100831504 /nfs/dbraw/zinc/83/15/04/1100831504.db2.gz BPYDZXKHMCSRPL-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3cnccc32)C1 ZINC001240009936 1100831509 /nfs/dbraw/zinc/83/15/09/1100831509.db2.gz BPYDZXKHMCSRPL-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(-n4cccn4)c3)cc2)C1 ZINC001240250774 1100910975 /nfs/dbraw/zinc/91/09/75/1100910975.db2.gz UCSZFKCQXWWVTL-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(-n4cccn4)c3)cc2)C1 ZINC001240250774 1100910980 /nfs/dbraw/zinc/91/09/80/1100910980.db2.gz UCSZFKCQXWWVTL-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(C(F)(F)F)nc2)C1 ZINC001240272406 1100918257 /nfs/dbraw/zinc/91/82/57/1100918257.db2.gz NXVOMWALTOAXCI-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C(F)(F)F)nc2)C1 ZINC001240272406 1100918267 /nfs/dbraw/zinc/91/82/67/1100918267.db2.gz NXVOMWALTOAXCI-AWEZNQCLSA-N 2 2 321.346 3.300 20 0 DGADLP CC(C)CCn1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001240420733 1100989773 /nfs/dbraw/zinc/98/97/73/1100989773.db2.gz CKIQMJUTFUFZIE-LJQANCHMSA-N 2 2 312.461 3.129 20 0 DGADLP CC(C)CCn1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001240420733 1100989776 /nfs/dbraw/zinc/98/97/76/1100989776.db2.gz CKIQMJUTFUFZIE-LJQANCHMSA-N 2 2 312.461 3.129 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(-c3cc[nH]n3)c2)C1 ZINC001240563728 1101051214 /nfs/dbraw/zinc/05/12/14/1101051214.db2.gz NRJGHNRHLSVRHO-GOSISDBHSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(-c3cc[nH]n3)c2)C1 ZINC001240563728 1101051221 /nfs/dbraw/zinc/05/12/21/1101051221.db2.gz NRJGHNRHLSVRHO-GOSISDBHSA-N 2 2 318.424 3.277 20 0 DGADLP Cn1ccc2ccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc21 ZINC001240575914 1101056685 /nfs/dbraw/zinc/05/66/85/1101056685.db2.gz JODKNTGXUFUXJP-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2ccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc21 ZINC001240575914 1101056692 /nfs/dbraw/zinc/05/66/92/1101056692.db2.gz JODKNTGXUFUXJP-IBGZPJMESA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CCC1(F)F ZINC001205763203 1101267076 /nfs/dbraw/zinc/26/70/76/1101267076.db2.gz OVIVKDNUKFHAIM-LLVKDONJSA-N 2 2 324.293 3.001 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCC1(F)F ZINC001205763203 1101267083 /nfs/dbraw/zinc/26/70/83/1101267083.db2.gz OVIVKDNUKFHAIM-LLVKDONJSA-N 2 2 324.293 3.001 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(-n3cccn3)cc2)C1 ZINC001241394409 1101430261 /nfs/dbraw/zinc/43/02/61/1101430261.db2.gz OXJLPFAOSMVACP-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(-n3cccn3)cc2)C1 ZINC001241394409 1101430267 /nfs/dbraw/zinc/43/02/67/1101430267.db2.gz OXJLPFAOSMVACP-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001197359463 1101540865 /nfs/dbraw/zinc/54/08/65/1101540865.db2.gz OLRHZWAWHFMYDZ-KRWDZBQOSA-N 2 2 323.525 3.009 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCOc1cccc(Cl)c1 ZINC001197701487 1101645421 /nfs/dbraw/zinc/64/54/21/1101645421.db2.gz KALRLEOTVUKNRV-JKSUJKDBSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCOc1cccc(Cl)c1 ZINC001197701487 1101645430 /nfs/dbraw/zinc/64/54/30/1101645430.db2.gz KALRLEOTVUKNRV-JKSUJKDBSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCOc1cccc(Cl)c1 ZINC001197701487 1101645439 /nfs/dbraw/zinc/64/54/39/1101645439.db2.gz KALRLEOTVUKNRV-JKSUJKDBSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCOc1cccc(Cl)c1 ZINC001197701487 1101645447 /nfs/dbraw/zinc/64/54/47/1101645447.db2.gz KALRLEOTVUKNRV-JKSUJKDBSA-N 2 2 308.853 3.277 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3c[nH+]c(N(C)C)cc3C)cc2)CC1 ZINC001241743653 1101674791 /nfs/dbraw/zinc/67/47/91/1101674791.db2.gz QNCUXWMKJCCBRZ-UHFFFAOYSA-N 2 2 324.472 3.265 20 0 DGADLP Cc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc(Cl)n1 ZINC001198768562 1101980973 /nfs/dbraw/zinc/98/09/73/1101980973.db2.gz IKEPTUZWQXLFHY-UHFFFAOYSA-N 2 2 304.825 3.157 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cnccc3C(F)(F)F)cc2)C1 ZINC001242279849 1102023623 /nfs/dbraw/zinc/02/36/23/1102023623.db2.gz QBAYSJVTYUUZSD-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cnccc3C(F)(F)F)cc2)C1 ZINC001242279849 1102023634 /nfs/dbraw/zinc/02/36/34/1102023634.db2.gz QBAYSJVTYUUZSD-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC001199178947 1102080354 /nfs/dbraw/zinc/08/03/54/1102080354.db2.gz OCIPASVPGXWEPP-YOEHRIQHSA-N 2 2 301.459 3.305 20 0 DGADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1N(C)C)C[NH+]1CCCC1 ZINC001199403229 1102133350 /nfs/dbraw/zinc/13/33/50/1102133350.db2.gz MTXQDZOMDZBTFG-CQSZACIVSA-N 2 2 309.885 3.228 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cnc4sccc4c3)cc2)C1 ZINC001242680803 1102283175 /nfs/dbraw/zinc/28/31/75/1102283175.db2.gz XEPOJWHPYIVLHO-KRWDZBQOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cnc4sccc4c3)cc2)C1 ZINC001242680803 1102283181 /nfs/dbraw/zinc/28/31/81/1102283181.db2.gz XEPOJWHPYIVLHO-KRWDZBQOSA-N 2 2 309.438 3.496 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242730142 1102313744 /nfs/dbraw/zinc/31/37/44/1102313744.db2.gz ZWRTUQGJXIQXKR-UHFFFAOYSA-N 2 2 321.428 3.217 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccccc3OC3CC3)ccn12 ZINC001242792808 1102346278 /nfs/dbraw/zinc/34/62/78/1102346278.db2.gz AUFIGLMBUGBCSN-UHFFFAOYSA-N 2 2 305.381 3.229 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(OC4CC4)c3)cc2)C1 ZINC001242806488 1102355672 /nfs/dbraw/zinc/35/56/72/1102355672.db2.gz DJBIWPTVNRZKIV-SFHVURJKSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(OC4CC4)c3)cc2)C1 ZINC001242806488 1102355682 /nfs/dbraw/zinc/35/56/82/1102355682.db2.gz DJBIWPTVNRZKIV-SFHVURJKSA-N 2 2 308.425 3.428 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cs1 ZINC001205904413 1102449729 /nfs/dbraw/zinc/44/97/29/1102449729.db2.gz UXXCAUZEIBNCPO-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cs1 ZINC001205904413 1102449733 /nfs/dbraw/zinc/44/97/33/1102449733.db2.gz UXXCAUZEIBNCPO-VHSXEESVSA-N 2 2 303.269 3.070 20 0 DGADLP CCCOc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243129340 1102541412 /nfs/dbraw/zinc/54/14/12/1102541412.db2.gz MJEUKSUVOIKEBI-UHFFFAOYSA-N 2 2 307.397 3.477 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201408870 1102577554 /nfs/dbraw/zinc/57/75/54/1102577554.db2.gz LGLBEEZOLYYASZ-MRXNPFEDSA-N 2 2 316.493 3.240 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201408870 1102577562 /nfs/dbraw/zinc/57/75/62/1102577562.db2.gz LGLBEEZOLYYASZ-MRXNPFEDSA-N 2 2 316.493 3.240 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C[C@H]1CC=CCC1)CC2 ZINC001201408869 1102577806 /nfs/dbraw/zinc/57/78/06/1102577806.db2.gz LGLBEEZOLYYASZ-INIZCTEOSA-N 2 2 316.493 3.240 20 0 DGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC001201408869 1102577813 /nfs/dbraw/zinc/57/78/13/1102577813.db2.gz LGLBEEZOLYYASZ-INIZCTEOSA-N 2 2 316.493 3.240 20 0 DGADLP CCC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543651 1102631611 /nfs/dbraw/zinc/63/16/11/1102631611.db2.gz JBKUCEPNWYRATP-JYJNAYRXSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201543651 1102631616 /nfs/dbraw/zinc/63/16/16/1102631616.db2.gz JBKUCEPNWYRATP-JYJNAYRXSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201543651 1102631619 /nfs/dbraw/zinc/63/16/19/1102631619.db2.gz JBKUCEPNWYRATP-JYJNAYRXSA-N 2 2 307.507 3.476 20 0 DGADLP CCC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201543651 1102631623 /nfs/dbraw/zinc/63/16/23/1102631623.db2.gz JBKUCEPNWYRATP-JYJNAYRXSA-N 2 2 307.507 3.476 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC001201929769 1102753393 /nfs/dbraw/zinc/75/33/93/1102753393.db2.gz RQIIXNCUCBITFU-NSHDSACASA-N 2 2 304.444 3.284 20 0 DGADLP CCOc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1OC ZINC001243540374 1102790725 /nfs/dbraw/zinc/79/07/25/1102790725.db2.gz XOBXBQKQEZZONK-UHFFFAOYSA-N 2 2 323.396 3.095 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931972 1102814715 /nfs/dbraw/zinc/81/47/15/1102814715.db2.gz MXDJEPVYSUGEQX-CYBMUJFWSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931972 1102814735 /nfs/dbraw/zinc/81/47/35/1102814735.db2.gz MXDJEPVYSUGEQX-CYBMUJFWSA-N 2 2 302.340 3.207 20 0 DGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077553 1102836790 /nfs/dbraw/zinc/83/67/90/1102836790.db2.gz IZPPLQVZVXHKDL-GJZGRUSLSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077553 1102836805 /nfs/dbraw/zinc/83/68/05/1102836805.db2.gz IZPPLQVZVXHKDL-GJZGRUSLSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202077553 1102836821 /nfs/dbraw/zinc/83/68/21/1102836821.db2.gz IZPPLQVZVXHKDL-GJZGRUSLSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202077553 1102836834 /nfs/dbraw/zinc/83/68/34/1102836834.db2.gz IZPPLQVZVXHKDL-GJZGRUSLSA-N 2 2 307.507 3.476 20 0 DGADLP C[NH+]1CCN(c2cccc(-c3ccc(-n4cc[nH+]c4)cc3)c2)CC1 ZINC001243669939 1102904065 /nfs/dbraw/zinc/90/40/65/1102904065.db2.gz XGAJXPKFDYFUST-UHFFFAOYSA-N 2 2 318.424 3.291 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(CO)c(Cl)c3)cc2)C1 ZINC001243821719 1102995475 /nfs/dbraw/zinc/99/54/75/1102995475.db2.gz JNPUMKCCTYOEOE-KRWDZBQOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(CO)c(Cl)c3)cc2)C1 ZINC001243821719 1102995481 /nfs/dbraw/zinc/99/54/81/1102995481.db2.gz JNPUMKCCTYOEOE-KRWDZBQOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccnc(OCC4CC4)c3)cc2)C1 ZINC001243924588 1103057258 /nfs/dbraw/zinc/05/72/58/1103057258.db2.gz SMMXULACVUZZRV-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccnc(OCC4CC4)c3)cc2)C1 ZINC001243924588 1103057275 /nfs/dbraw/zinc/05/72/75/1103057275.db2.gz SMMXULACVUZZRV-LJQANCHMSA-N 2 2 323.440 3.070 20 0 DGADLP Cc1nc2ccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc2o1 ZINC001243965330 1103091144 /nfs/dbraw/zinc/09/11/44/1103091144.db2.gz VLDZXJTVEYXUKH-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1nc2ccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc2o1 ZINC001243965330 1103091161 /nfs/dbraw/zinc/09/11/61/1103091161.db2.gz VLDZXJTVEYXUKH-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP CC(C)(C)c1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccn1 ZINC001244020024 1103141661 /nfs/dbraw/zinc/14/16/61/1103141661.db2.gz BVFHGRLVVXEEOQ-UHFFFAOYSA-N 2 2 306.413 3.381 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(O)cccc3Cl)cc2)C1 ZINC001244047951 1103166522 /nfs/dbraw/zinc/16/65/22/1103166522.db2.gz NDGKPUYPFVQHIB-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(O)cccc3Cl)cc2)C1 ZINC001244047951 1103166531 /nfs/dbraw/zinc/16/65/31/1103166531.db2.gz NDGKPUYPFVQHIB-CQSZACIVSA-N 2 2 302.805 3.246 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC001326035634 1103188255 /nfs/dbraw/zinc/18/82/55/1103188255.db2.gz LBPHRGDILCWNKK-VHSXEESVSA-N 2 2 303.219 3.237 20 0 DGADLP C[C@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)[NH+]1CCCCCC1 ZINC001326487074 1103335724 /nfs/dbraw/zinc/33/57/24/1103335724.db2.gz RSCAMGOQUZFHOI-HIFRSBDPSA-N 2 2 300.406 3.055 20 0 DGADLP C[C@H](c1nc([C@H]([NH3+])c2ccccc2)no1)[NH+]1CCCCCC1 ZINC001326487076 1103336322 /nfs/dbraw/zinc/33/63/22/1103336322.db2.gz RSCAMGOQUZFHOI-UKRRQHHQSA-N 2 2 300.406 3.055 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)cc3O)c2)C1 ZINC001244471265 1103463976 /nfs/dbraw/zinc/46/39/76/1103463976.db2.gz CGYRILCOZPRPQV-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)cc3O)c2)C1 ZINC001244471265 1103463977 /nfs/dbraw/zinc/46/39/77/1103463977.db2.gz CGYRILCOZPRPQV-HNNXBMFYSA-N 2 2 302.805 3.246 20 0 DGADLP Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc(Cl)c1O ZINC001244536885 1103506349 /nfs/dbraw/zinc/50/63/49/1103506349.db2.gz ASMMXWIAUMHZJP-UHFFFAOYSA-N 2 2 313.788 3.356 20 0 DGADLP CC/C=C\CC[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001490228441 1103513908 /nfs/dbraw/zinc/51/39/08/1103513908.db2.gz GMIWCBFAJLPGPN-FPLPWBNLSA-N 2 2 317.477 3.415 20 0 DGADLP CC/C=C\CC[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001490228441 1103513919 /nfs/dbraw/zinc/51/39/19/1103513919.db2.gz GMIWCBFAJLPGPN-FPLPWBNLSA-N 2 2 317.477 3.415 20 0 DGADLP CC(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001327225662 1103590778 /nfs/dbraw/zinc/59/07/78/1103590778.db2.gz QJKDKGLHRSZIIK-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP CC(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001327225662 1103590787 /nfs/dbraw/zinc/59/07/87/1103590787.db2.gz QJKDKGLHRSZIIK-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP C[NH2+]Cc1cccc(-c2ccccc2C[NH+]2CCOCC2)c1F ZINC001244862597 1103728761 /nfs/dbraw/zinc/72/87/61/1103728761.db2.gz RBPZUMFQPIOOIU-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997652 1103796801 /nfs/dbraw/zinc/79/68/01/1103796801.db2.gz BZYQKTCDPFAKIT-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997652 1103796815 /nfs/dbraw/zinc/79/68/15/1103796815.db2.gz BZYQKTCDPFAKIT-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997652 1103796827 /nfs/dbraw/zinc/79/68/27/1103796827.db2.gz BZYQKTCDPFAKIT-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001327997652 1103796845 /nfs/dbraw/zinc/79/68/45/1103796845.db2.gz BZYQKTCDPFAKIT-GOSISDBHSA-N 2 2 304.478 3.398 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001206564512 1103813952 /nfs/dbraw/zinc/81/39/52/1103813952.db2.gz PTCVIYTWCZQXDW-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC001206564512 1103813964 /nfs/dbraw/zinc/81/39/64/1103813964.db2.gz PTCVIYTWCZQXDW-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP CCn1c(C)cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1C ZINC001328355538 1103921293 /nfs/dbraw/zinc/92/12/93/1103921293.db2.gz HYRGBXFWUBDEGZ-UHFFFAOYSA-N 2 2 323.400 3.266 20 0 DGADLP CCCOc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001245232246 1103921958 /nfs/dbraw/zinc/92/19/58/1103921958.db2.gz ZZJHZUJUNNRGOF-GOSISDBHSA-N 2 2 311.429 3.070 20 0 DGADLP CCCOc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001245232246 1103921965 /nfs/dbraw/zinc/92/19/65/1103921965.db2.gz ZZJHZUJUNNRGOF-GOSISDBHSA-N 2 2 311.429 3.070 20 0 DGADLP CCn1ncc2cc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)ccc21 ZINC001245237511 1103927566 /nfs/dbraw/zinc/92/75/66/1103927566.db2.gz UIVXYQNFKYMMLN-IBGZPJMESA-N 2 2 320.440 3.256 20 0 DGADLP CCn1ncc2cc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)ccc21 ZINC001245237511 1103927569 /nfs/dbraw/zinc/92/75/69/1103927569.db2.gz UIVXYQNFKYMMLN-IBGZPJMESA-N 2 2 320.440 3.256 20 0 DGADLP Cc1noc2ccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001245280689 1103960365 /nfs/dbraw/zinc/96/03/65/1103960365.db2.gz CJQHTPPZLJCNPL-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1noc2ccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001245280689 1103960371 /nfs/dbraw/zinc/96/03/71/1103960371.db2.gz CJQHTPPZLJCNPL-KRWDZBQOSA-N 2 2 307.397 3.336 20 0 DGADLP CC(C)n1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001137081855 1103963155 /nfs/dbraw/zinc/96/31/55/1103963155.db2.gz TXDGQFONHQUYNN-UHFFFAOYSA-N 2 2 309.417 3.282 20 0 DGADLP CC(C)n1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001137081855 1103963165 /nfs/dbraw/zinc/96/31/65/1103963165.db2.gz TXDGQFONHQUYNN-UHFFFAOYSA-N 2 2 309.417 3.282 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCCCC[NH2+]3)c2)[nH+]c1C ZINC001328592954 1103993621 /nfs/dbraw/zinc/99/36/21/1103993621.db2.gz CEWCIFBZIKSBCJ-INIZCTEOSA-N 2 2 312.417 3.164 20 0 DGADLP Cc1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001137154550 1104019216 /nfs/dbraw/zinc/01/92/16/1104019216.db2.gz LBMIAGZLMYZNBJ-HOTGVXAUSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245776611 1104231905 /nfs/dbraw/zinc/23/19/05/1104231905.db2.gz DBRAYWFOSBIIJH-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245776611 1104231910 /nfs/dbraw/zinc/23/19/10/1104231910.db2.gz DBRAYWFOSBIIJH-OAHLLOKOSA-N 2 2 301.821 3.243 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000717547665 1104349954 /nfs/dbraw/zinc/34/99/54/1104349954.db2.gz BFYSYVRHEJAXIW-NRFANRHFSA-N 2 2 324.468 3.316 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000717547665 1104349965 /nfs/dbraw/zinc/34/99/65/1104349965.db2.gz BFYSYVRHEJAXIW-NRFANRHFSA-N 2 2 324.468 3.316 20 0 DGADLP C[C@](O)(C[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056512 1104360330 /nfs/dbraw/zinc/36/03/30/1104360330.db2.gz VWUXIEXMHHXRBV-SFTDATJTSA-N 2 2 324.468 3.148 20 0 DGADLP C[C@](O)(C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246056512 1104360341 /nfs/dbraw/zinc/36/03/41/1104360341.db2.gz VWUXIEXMHHXRBV-SFTDATJTSA-N 2 2 324.468 3.148 20 0 DGADLP CC(C)(C)[C@@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246068663 1104363897 /nfs/dbraw/zinc/36/38/97/1104363897.db2.gz ISHHYKJFDDCFNX-KRWDZBQOSA-N 2 2 324.896 3.301 20 0 DGADLP CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246068663 1104363910 /nfs/dbraw/zinc/36/39/10/1104363910.db2.gz ISHHYKJFDDCFNX-KRWDZBQOSA-N 2 2 324.896 3.301 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC001329723347 1104371687 /nfs/dbraw/zinc/37/16/87/1104371687.db2.gz MPGCRUNLWRCHQZ-UHFFFAOYSA-N 2 2 302.340 3.003 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246089803 1104378074 /nfs/dbraw/zinc/37/80/74/1104378074.db2.gz DWQDMXNQCSQUGE-KCPJHIHWSA-N 2 2 317.235 3.140 20 0 DGADLP CCC1CCC(C2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC001246089639 1104378486 /nfs/dbraw/zinc/37/84/86/1104378486.db2.gz RANCATADKDPEQE-VEGHNBABSA-N 2 2 308.510 3.340 20 0 DGADLP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]3C[NH2+]CC[C@H]3O)CC2)CC1 ZINC001246089096 1104378663 /nfs/dbraw/zinc/37/86/63/1104378663.db2.gz YQQIHWLESMGBGH-MHEUWTTISA-N 2 2 308.510 3.074 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088786 1104378739 /nfs/dbraw/zinc/37/87/39/1104378739.db2.gz XOXOKJPHFPRFEJ-VHDGCEQUSA-N 2 2 314.470 3.360 20 0 DGADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246095123 1104382056 /nfs/dbraw/zinc/38/20/56/1104382056.db2.gz YZNOQMWYVKXHLH-FXAWDEMLSA-N 2 2 324.468 3.175 20 0 DGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001246114493 1104391401 /nfs/dbraw/zinc/39/14/01/1104391401.db2.gz PEJNDSOZHOEYSZ-CZUORRHYSA-N 2 2 314.445 3.378 20 0 DGADLP C([NH2+][C@H]1CCCC2(CCCCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152801 1104408455 /nfs/dbraw/zinc/40/84/55/1104408455.db2.gz ZVWJJDLYHKFRCX-ZWKOTPCHSA-N 3 2 319.537 3.343 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2F)CC[NH2+]1 ZINC001246158547 1104410540 /nfs/dbraw/zinc/41/05/40/1104410540.db2.gz LVCAHIPGSZWDAK-OCCSQVGLSA-N 2 2 300.368 3.360 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246160777 1104411683 /nfs/dbraw/zinc/41/16/83/1104411683.db2.gz GSNUSCQUDQKKEH-LLVKDONJSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC[NH2+]1 ZINC001246174906 1104421080 /nfs/dbraw/zinc/42/10/80/1104421080.db2.gz KFQSRHWKFKLVRB-VKJFTORMSA-N 2 2 321.896 3.207 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246184884 1104427860 /nfs/dbraw/zinc/42/78/60/1104427860.db2.gz VVNQTFSFPJFFTL-XHDPSFHLSA-N 2 2 302.796 3.091 20 0 DGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2c(OC)cccc2OC)CC[NH2+]1 ZINC001246195784 1104434192 /nfs/dbraw/zinc/43/41/92/1104434192.db2.gz PPDXPTCWZHTZRT-LSDHHAIUSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cc(C(F)(F)F)ccc2F)C[C@H](C)[NH2+]1 ZINC001246195914 1104434534 /nfs/dbraw/zinc/43/45/34/1104434534.db2.gz LQYODONIECOBSA-UWVGGRQHSA-N 2 2 304.331 3.463 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246252741 1104461167 /nfs/dbraw/zinc/46/11/67/1104461167.db2.gz BVLMRYFSGGQSGL-QGZVFWFLSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3OC(F)(F)F)C[NH2+]1 ZINC001246260284 1104463741 /nfs/dbraw/zinc/46/37/41/1104463741.db2.gz QXOXWZGSOSITFY-UHIISALHSA-N 2 2 314.351 3.303 20 0 DGADLP FC(F)(F)Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246260816 1104464457 /nfs/dbraw/zinc/46/44/57/1104464457.db2.gz SZVYCHVPJWQOAS-FZMZJTMJSA-N 2 2 314.351 3.304 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001246280300 1104472247 /nfs/dbraw/zinc/47/22/47/1104472247.db2.gz SSCHVIXGKFTPPP-YJBOKZPZSA-N 2 2 302.368 3.112 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246280321 1104472762 /nfs/dbraw/zinc/47/27/62/1104472762.db2.gz SZBIZVUQSYHKGA-CRAIPNDOSA-N 2 2 302.368 3.112 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)C[NH2+]1 ZINC001246284971 1104473599 /nfs/dbraw/zinc/47/35/99/1104473599.db2.gz DBIXIUZUKGPJCI-JEBQAFNWSA-N 2 2 306.425 3.024 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC001246287890 1104475790 /nfs/dbraw/zinc/47/57/90/1104475790.db2.gz KKQVCQVPNCBZJH-CHWSQXEVSA-N 2 2 315.230 3.208 20 0 DGADLP C[C@@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)[C@H]1C[NH2+]CCO1 ZINC001246296922 1104476941 /nfs/dbraw/zinc/47/69/41/1104476941.db2.gz SSJVQKUBUBDWOG-WGDNJCCTSA-N 2 2 322.880 3.333 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)CC[NH2+]1 ZINC001246294332 1104477193 /nfs/dbraw/zinc/47/71/93/1104477193.db2.gz KSNNVIUPZWANKA-IMJJTQAJSA-N 2 2 301.459 3.157 20 0 DGADLP COc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1OC ZINC001246353153 1104504578 /nfs/dbraw/zinc/50/45/78/1104504578.db2.gz USXNDPYYNUYGFB-GVXVVHGQSA-N 2 2 312.841 3.148 20 0 DGADLP COc1ccccc1C1([NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246359962 1104507421 /nfs/dbraw/zinc/50/74/21/1104507421.db2.gz DFKIKMFDVSZNOQ-PBHICJAKSA-N 2 2 302.462 3.441 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246367761 1104511050 /nfs/dbraw/zinc/51/10/50/1104511050.db2.gz MVLDHZVFQLJXMR-YOEHRIQHSA-N 2 2 317.477 3.269 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCC3)n2)CC[NH2+]1 ZINC001246367756 1104511492 /nfs/dbraw/zinc/51/14/92/1104511492.db2.gz MVLDHZVFQLJXMR-PBHICJAKSA-N 2 2 317.477 3.269 20 0 DGADLP C[NH2+]CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC001246379529 1104516992 /nfs/dbraw/zinc/51/69/92/1104516992.db2.gz PSQMOEGOAVGISO-UWVGGRQHSA-N 2 2 303.219 3.237 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC001274858273 1104521914 /nfs/dbraw/zinc/52/19/14/1104521914.db2.gz LKTCFONKJVRFBH-XJKSGUPXSA-N 2 2 319.493 3.397 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC(C)C)c(C)[nH+]1 ZINC001274858272 1104522807 /nfs/dbraw/zinc/52/28/07/1104522807.db2.gz LKTCFONKJVRFBH-CZUORRHYSA-N 2 2 319.493 3.397 20 0 DGADLP CC[C@@H]1CC([NH2+][C@H](CO)c2ccccc2Cl)C[C@@H](CC)[NH2+]1 ZINC001246395464 1104523942 /nfs/dbraw/zinc/52/39/42/1104523942.db2.gz MUBDQYACBBYMGL-PBFPGSCMSA-N 2 2 310.869 3.272 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2Cl)CC[NH2+]1 ZINC001246396304 1104525412 /nfs/dbraw/zinc/52/54/12/1104525412.db2.gz OQNGPWWDFCMBCK-CKEIUWERSA-N 2 2 310.869 3.274 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C[NH2+]1 ZINC001246438919 1104539751 /nfs/dbraw/zinc/53/97/51/1104539751.db2.gz KWRJXXCAIGIFMZ-BBRMVZONSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCOCC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246454705 1104545741 /nfs/dbraw/zinc/54/57/41/1104545741.db2.gz FPZCOUSPAXRKCC-NIKGAXFTSA-N 2 2 320.452 3.414 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2CCc3ccc(C)cc3C2)c1 ZINC001246508851 1104570433 /nfs/dbraw/zinc/57/04/33/1104570433.db2.gz FIXSGKQPXBZJLY-UYAOXDASSA-N 2 2 310.441 3.151 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H](C)Cc2cccc(F)c2)c1 ZINC001246513917 1104572924 /nfs/dbraw/zinc/57/29/24/1104572924.db2.gz YHJTYZAEQYQIII-FZKQIMNGSA-N 2 2 302.393 3.055 20 0 DGADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246517756 1104574324 /nfs/dbraw/zinc/57/43/24/1104574324.db2.gz BIDNJRWNLAYIQH-RRQGHBQHSA-N 2 2 306.450 3.277 20 0 DGADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246517753 1104574341 /nfs/dbraw/zinc/57/43/41/1104574341.db2.gz BIDNJRWNLAYIQH-JQFCIGGWSA-N 2 2 306.450 3.277 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2COc3c2cccc3OC)C[C@H](CC)[NH2+]1 ZINC001246516222 1104574349 /nfs/dbraw/zinc/57/43/49/1104574349.db2.gz UVYPGIQJRVWRCM-ORIJERBGSA-N 2 2 304.434 3.028 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(C(C)C)CC2)cc1 ZINC001246525912 1104577550 /nfs/dbraw/zinc/57/75/50/1104577550.db2.gz OSVLPPJSKKOKID-IUPXNIOVSA-N 2 2 318.461 3.277 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554280 1104592506 /nfs/dbraw/zinc/59/25/06/1104592506.db2.gz DOBJYOKWULQUSX-PWSUYJOCSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554280 1104592515 /nfs/dbraw/zinc/59/25/15/1104592515.db2.gz DOBJYOKWULQUSX-PWSUYJOCSA-N 2 2 320.786 3.326 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572685 1104602140 /nfs/dbraw/zinc/60/21/40/1104602140.db2.gz ASVSPUCHZRNJQQ-WMLDXEAASA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572685 1104602145 /nfs/dbraw/zinc/60/21/45/1104602145.db2.gz ASVSPUCHZRNJQQ-WMLDXEAASA-N 2 2 310.844 3.350 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246572618 1104602176 /nfs/dbraw/zinc/60/21/76/1104602176.db2.gz OMEZPTRAOYUVMD-RYUDHWBXSA-N 2 2 316.823 3.481 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246572618 1104602181 /nfs/dbraw/zinc/60/21/81/1104602181.db2.gz OMEZPTRAOYUVMD-RYUDHWBXSA-N 2 2 316.823 3.481 20 0 DGADLP CC(C)[N@H+]([C@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589887 1104608649 /nfs/dbraw/zinc/60/86/49/1104608649.db2.gz GDVKZOLBTXMJQV-AABGKKOBSA-N 3 2 315.505 3.332 20 0 DGADLP CC(C)[N@@H+]([C@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589887 1104608655 /nfs/dbraw/zinc/60/86/55/1104608655.db2.gz GDVKZOLBTXMJQV-AABGKKOBSA-N 3 2 315.505 3.332 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246599563 1104616309 /nfs/dbraw/zinc/61/63/09/1104616309.db2.gz DJWLRXLMYLFEFA-CJNGLKHVSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246599563 1104616311 /nfs/dbraw/zinc/61/63/11/1104616311.db2.gz DJWLRXLMYLFEFA-CJNGLKHVSA-N 2 2 323.278 3.208 20 0 DGADLP COc1ccc2cc(CC[C@H](C)[NH+]3CC4(C[NH2+]C4)C3)ccc2c1 ZINC001246611856 1104626304 /nfs/dbraw/zinc/62/63/04/1104626304.db2.gz DFZMGSWDVYGCEM-HNNXBMFYSA-N 2 2 310.441 3.075 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612303 1104627630 /nfs/dbraw/zinc/62/76/30/1104627630.db2.gz IGWILOIBDACAHJ-VQIMIIECSA-N 2 2 302.462 3.234 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612303 1104627639 /nfs/dbraw/zinc/62/76/39/1104627639.db2.gz IGWILOIBDACAHJ-VQIMIIECSA-N 2 2 302.462 3.234 20 0 DGADLP c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613742 1104628593 /nfs/dbraw/zinc/62/85/93/1104628593.db2.gz MDCPWOKCGSAPPW-SJLPKXTDSA-N 2 2 302.487 3.312 20 0 DGADLP c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613742 1104628597 /nfs/dbraw/zinc/62/85/97/1104628597.db2.gz MDCPWOKCGSAPPW-SJLPKXTDSA-N 2 2 302.487 3.312 20 0 DGADLP Fc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246614216 1104628783 /nfs/dbraw/zinc/62/87/83/1104628783.db2.gz MZOYQBKXCPNHFE-VQIMIIECSA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246614216 1104628786 /nfs/dbraw/zinc/62/87/86/1104628786.db2.gz MZOYQBKXCPNHFE-VQIMIIECSA-N 2 2 302.437 3.291 20 0 DGADLP C1CCC2(CC1)CCC[C@@H]([N@@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)C2 ZINC001246645194 1104643508 /nfs/dbraw/zinc/64/35/08/1104643508.db2.gz CDQBOXOSBAQHHX-IEBWSBKVSA-N 2 2 306.494 3.334 20 0 DGADLP C1CCC2(CC1)CCC[C@@H]([N@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)C2 ZINC001246645194 1104643513 /nfs/dbraw/zinc/64/35/13/1104643513.db2.gz CDQBOXOSBAQHHX-IEBWSBKVSA-N 2 2 306.494 3.334 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246646865 1104644161 /nfs/dbraw/zinc/64/41/61/1104644161.db2.gz XSNSCXQRVATMDJ-UHOFOFEASA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246646865 1104644167 /nfs/dbraw/zinc/64/41/67/1104644167.db2.gz XSNSCXQRVATMDJ-UHOFOFEASA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246647577 1104645232 /nfs/dbraw/zinc/64/52/32/1104645232.db2.gz UBPALRLPHSGYPM-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246647577 1104645238 /nfs/dbraw/zinc/64/52/38/1104645238.db2.gz UBPALRLPHSGYPM-DETPVDSQSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246647585 1104645833 /nfs/dbraw/zinc/64/58/33/1104645833.db2.gz UBPALRLPHSGYPM-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001246647585 1104645835 /nfs/dbraw/zinc/64/58/35/1104645835.db2.gz UBPALRLPHSGYPM-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC001246649491 1104646112 /nfs/dbraw/zinc/64/61/12/1104646112.db2.gz BVKYSNHRLYDVCT-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC001246649491 1104646114 /nfs/dbraw/zinc/64/61/14/1104646114.db2.gz BVKYSNHRLYDVCT-NORZTCDRSA-N 2 2 311.256 3.144 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650462 1104648012 /nfs/dbraw/zinc/64/80/12/1104648012.db2.gz IJGKQKGSMXTGQT-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246650462 1104648016 /nfs/dbraw/zinc/64/80/16/1104648016.db2.gz IJGKQKGSMXTGQT-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001275153605 1104652023 /nfs/dbraw/zinc/65/20/23/1104652023.db2.gz OAJDTRYTZVQYIM-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@H+](CC3CCCC3)C2)C1 ZINC001275153605 1104652027 /nfs/dbraw/zinc/65/20/27/1104652027.db2.gz OAJDTRYTZVQYIM-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@H+]1CCC[C@@]2(CCC[NH+](CC3CCCC3)C2)C1 ZINC001275153605 1104652031 /nfs/dbraw/zinc/65/20/31/1104652031.db2.gz OAJDTRYTZVQYIM-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](CC3CCCC3)C2)C1 ZINC001275153605 1104652036 /nfs/dbraw/zinc/65/20/36/1104652036.db2.gz OAJDTRYTZVQYIM-LJQANCHMSA-N 2 2 316.493 3.278 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246660533 1104652740 /nfs/dbraw/zinc/65/27/40/1104652740.db2.gz CBLAJXZSRZRLKZ-HLAWJBBLSA-N 2 2 322.427 3.254 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246660533 1104652746 /nfs/dbraw/zinc/65/27/46/1104652746.db2.gz CBLAJXZSRZRLKZ-HLAWJBBLSA-N 2 2 322.427 3.254 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661453 1104652959 /nfs/dbraw/zinc/65/29/59/1104652959.db2.gz XLUNZVVQYLATMQ-XPKDYRNWSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246661453 1104652965 /nfs/dbraw/zinc/65/29/65/1104652965.db2.gz XLUNZVVQYLATMQ-XPKDYRNWSA-N 2 2 312.379 3.320 20 0 DGADLP Oc1cnccc1C[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275169257 1104664331 /nfs/dbraw/zinc/66/43/31/1104664331.db2.gz SWXWJVCKZXVUTF-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cnccc1C[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275169257 1104664336 /nfs/dbraw/zinc/66/43/36/1104664336.db2.gz SWXWJVCKZXVUTF-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cnccc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275169257 1104664341 /nfs/dbraw/zinc/66/43/41/1104664341.db2.gz SWXWJVCKZXVUTF-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cnccc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275169257 1104664344 /nfs/dbraw/zinc/66/43/44/1104664344.db2.gz SWXWJVCKZXVUTF-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717831 1104666182 /nfs/dbraw/zinc/66/61/82/1104666182.db2.gz WQCSIKQDIBEQMH-BTHPGYMESA-N 2 2 314.473 3.166 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)C[NH2+]1 ZINC001246717831 1104666186 /nfs/dbraw/zinc/66/61/86/1104666186.db2.gz WQCSIKQDIBEQMH-BTHPGYMESA-N 2 2 314.473 3.166 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001246765389 1104667820 /nfs/dbraw/zinc/66/78/20/1104667820.db2.gz JNAGLELXNMHBRP-TTYHFUOFSA-N 3 2 315.505 3.095 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001246765389 1104667822 /nfs/dbraw/zinc/66/78/22/1104667822.db2.gz JNAGLELXNMHBRP-TTYHFUOFSA-N 3 2 315.505 3.095 20 0 DGADLP C[NH2+]CC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001246765389 1104667824 /nfs/dbraw/zinc/66/78/24/1104667824.db2.gz JNAGLELXNMHBRP-TTYHFUOFSA-N 3 2 315.505 3.095 20 0 DGADLP C[NH2+]CC[C@@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001246765389 1104667826 /nfs/dbraw/zinc/66/78/26/1104667826.db2.gz JNAGLELXNMHBRP-TTYHFUOFSA-N 3 2 315.505 3.095 20 0 DGADLP Clc1ccccc1OC1CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC001246776740 1104669265 /nfs/dbraw/zinc/66/92/65/1104669265.db2.gz DUBBZBBZOHIKCY-AWEZNQCLSA-N 2 2 308.853 3.325 20 0 DGADLP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246782064 1104672165 /nfs/dbraw/zinc/67/21/65/1104672165.db2.gz WZOYMTCYOJXNND-QAPCUYQASA-N 2 2 319.468 3.114 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798744 1104680891 /nfs/dbraw/zinc/68/08/91/1104680891.db2.gz RGIRVAJVOPNWHP-MANSERQUSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCO[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798744 1104680893 /nfs/dbraw/zinc/68/08/93/1104680893.db2.gz RGIRVAJVOPNWHP-MANSERQUSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824946 1104693473 /nfs/dbraw/zinc/69/34/73/1104693473.db2.gz RFVVCWXJZQAUSU-IXDOHACOSA-N 2 2 308.466 3.446 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824946 1104693475 /nfs/dbraw/zinc/69/34/75/1104693475.db2.gz RFVVCWXJZQAUSU-IXDOHACOSA-N 2 2 308.466 3.446 20 0 DGADLP Cc1ccc([C@]2(C)C[N@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CCO2)cc1 ZINC001246837698 1104699589 /nfs/dbraw/zinc/69/95/89/1104699589.db2.gz FMBRPFGCYGICGR-ZCNNSNEGSA-N 2 2 316.489 3.319 20 0 DGADLP Cc1ccc([C@]2(C)C[N@@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CCO2)cc1 ZINC001246837698 1104699594 /nfs/dbraw/zinc/69/95/94/1104699594.db2.gz FMBRPFGCYGICGR-ZCNNSNEGSA-N 2 2 316.489 3.319 20 0 DGADLP FC(F)(F)c1cccc2c1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246869850 1104714885 /nfs/dbraw/zinc/71/48/85/1104714885.db2.gz IREZIPDHZZQFEF-PBWFPOADSA-N 2 2 310.363 3.347 20 0 DGADLP FC(F)(F)c1cccc2c1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246869850 1104714890 /nfs/dbraw/zinc/71/48/90/1104714890.db2.gz IREZIPDHZZQFEF-PBWFPOADSA-N 2 2 310.363 3.347 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)C[NH2+]1 ZINC001246916961 1104735927 /nfs/dbraw/zinc/73/59/27/1104735927.db2.gz NCCFFIITXPKBHQ-NRKLIOEPSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)C[NH2+]1 ZINC001246916961 1104735929 /nfs/dbraw/zinc/73/59/29/1104735929.db2.gz NCCFFIITXPKBHQ-NRKLIOEPSA-N 2 2 322.493 3.102 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246913338 1104735958 /nfs/dbraw/zinc/73/59/58/1104735958.db2.gz IIGNJOFIGVGCSM-IYWMVGAKSA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246913338 1104735962 /nfs/dbraw/zinc/73/59/62/1104735962.db2.gz IIGNJOFIGVGCSM-IYWMVGAKSA-N 2 2 316.489 3.239 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@H+](CCC[NH3+])CC(=O)OCC ZINC001246920148 1104738610 /nfs/dbraw/zinc/73/86/10/1104738610.db2.gz CXAYRVIJFWZDHL-SFHVURJKSA-N 2 2 320.477 3.002 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CC(=O)OCC ZINC001246920148 1104738617 /nfs/dbraw/zinc/73/86/17/1104738617.db2.gz CXAYRVIJFWZDHL-SFHVURJKSA-N 2 2 320.477 3.002 20 0 DGADLP CCOCC[C@H](C)[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246931641 1104741810 /nfs/dbraw/zinc/74/18/10/1104741810.db2.gz BHBXDDVWEAXXTM-MAUKXSAKSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@H](C)[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246931641 1104741813 /nfs/dbraw/zinc/74/18/13/1104741813.db2.gz BHBXDDVWEAXXTM-MAUKXSAKSA-N 2 2 308.441 3.195 20 0 DGADLP CC1(C)C[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246938731 1104744369 /nfs/dbraw/zinc/74/43/69/1104744369.db2.gz SUVKXXAUGOEJMO-ZWKOTPCHSA-N 2 2 320.452 3.337 20 0 DGADLP CC1(C)C[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246938731 1104744374 /nfs/dbraw/zinc/74/43/74/1104744374.db2.gz SUVKXXAUGOEJMO-ZWKOTPCHSA-N 2 2 320.452 3.337 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401278 1104747335 /nfs/dbraw/zinc/74/73/35/1104747335.db2.gz KOOGDEMXIGEBDB-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401278 1104747341 /nfs/dbraw/zinc/74/73/41/1104747341.db2.gz KOOGDEMXIGEBDB-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401278 1104747347 /nfs/dbraw/zinc/74/73/47/1104747347.db2.gz KOOGDEMXIGEBDB-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)nc1 ZINC001275401278 1104747353 /nfs/dbraw/zinc/74/73/53/1104747353.db2.gz KOOGDEMXIGEBDB-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948180 1104748661 /nfs/dbraw/zinc/74/86/61/1104748661.db2.gz IPMNRULFJCORBA-DOTOQJQBSA-N 2 2 310.482 3.105 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+](CC(=O)OCC)C2CCCC2)CC[NH2+]1 ZINC001246948180 1104748667 /nfs/dbraw/zinc/74/86/67/1104748667.db2.gz IPMNRULFJCORBA-DOTOQJQBSA-N 2 2 310.482 3.105 20 0 DGADLP CCCC[C@H]1C[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246949388 1104750205 /nfs/dbraw/zinc/75/02/05/1104750205.db2.gz OWOSZNQNQOGXKJ-PKOBYXMFSA-N 2 2 319.468 3.259 20 0 DGADLP CCOC(=O)C[N@H+](C1CCCC1)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246950523 1104750329 /nfs/dbraw/zinc/75/03/29/1104750329.db2.gz WDDCHYDAAFYSOM-QLPKVWCKSA-N 2 2 310.482 3.103 20 0 DGADLP CCOC(=O)C[N@@H+](C1CCCC1)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246950523 1104750334 /nfs/dbraw/zinc/75/03/34/1104750334.db2.gz WDDCHYDAAFYSOM-QLPKVWCKSA-N 2 2 310.482 3.103 20 0 DGADLP CC[C@H]1C[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246952148 1104751074 /nfs/dbraw/zinc/75/10/74/1104751074.db2.gz VDEHVEMRDUGSRL-QRVBRYPASA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246952148 1104751075 /nfs/dbraw/zinc/75/10/75/1104751075.db2.gz VDEHVEMRDUGSRL-QRVBRYPASA-N 2 2 320.452 3.337 20 0 DGADLP Cc1ccc(C[N@H+]([C@@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246959133 1104752595 /nfs/dbraw/zinc/75/25/95/1104752595.db2.gz UWFHGRBYWLGOTB-KRWDZBQOSA-N 2 2 320.452 3.256 20 0 DGADLP Cc1ccc(C[N@@H+]([C@@H]2COC(C)(C)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246959133 1104752598 /nfs/dbraw/zinc/75/25/98/1104752598.db2.gz UWFHGRBYWLGOTB-KRWDZBQOSA-N 2 2 320.452 3.256 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)CC2 ZINC001246962070 1104752807 /nfs/dbraw/zinc/75/28/07/1104752807.db2.gz JHFKAADZGRZUQV-LEWJYISDSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccncc1)[C@@H]1CC[NH2+]C1)CC2 ZINC001246962070 1104752813 /nfs/dbraw/zinc/75/28/13/1104752813.db2.gz JHFKAADZGRZUQV-LEWJYISDSA-N 2 2 321.468 3.111 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246975494 1104758491 /nfs/dbraw/zinc/75/84/91/1104758491.db2.gz UHTUAUZMERMLCO-NUJGCVRESA-N 3 2 317.477 3.152 20 0 DGADLP CC[C@@H]1CC([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C[C@@H](CC)[NH2+]1 ZINC001246975494 1104758495 /nfs/dbraw/zinc/75/84/95/1104758495.db2.gz UHTUAUZMERMLCO-NUJGCVRESA-N 3 2 317.477 3.152 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246994670 1104768106 /nfs/dbraw/zinc/76/81/06/1104768106.db2.gz QRIYUVKUKNJDTA-MRXNPFEDSA-N 2 2 316.445 3.302 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246994670 1104768112 /nfs/dbraw/zinc/76/81/12/1104768112.db2.gz QRIYUVKUKNJDTA-MRXNPFEDSA-N 2 2 316.445 3.302 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994007 1104768132 /nfs/dbraw/zinc/76/81/32/1104768132.db2.gz OEWMOQNQOYMFMX-HZPDHXFCSA-N 2 2 304.434 3.158 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994007 1104768137 /nfs/dbraw/zinc/76/81/37/1104768137.db2.gz OEWMOQNQOYMFMX-HZPDHXFCSA-N 2 2 304.434 3.158 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246995340 1104768630 /nfs/dbraw/zinc/76/86/30/1104768630.db2.gz UGNJDZYNSDXJFU-QZTJIDSGSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246995340 1104768636 /nfs/dbraw/zinc/76/86/36/1104768636.db2.gz UGNJDZYNSDXJFU-QZTJIDSGSA-N 2 2 324.424 3.340 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002260 1104773208 /nfs/dbraw/zinc/77/32/08/1104773208.db2.gz SRXYVVNRGOCPFA-HYVNUMGLSA-N 2 2 302.462 3.404 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(OC(C)(C)C)cc3)C2)C[NH2+]1 ZINC001247002260 1104773213 /nfs/dbraw/zinc/77/32/13/1104773213.db2.gz SRXYVVNRGOCPFA-HYVNUMGLSA-N 2 2 302.462 3.404 20 0 DGADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncc(Cl)cc1Cl)CC2 ZINC001275513272 1104786379 /nfs/dbraw/zinc/78/63/79/1104786379.db2.gz KJBSPYFMHVIBDB-UHFFFAOYSA-N 2 2 314.260 3.306 20 0 DGADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1ncc(Cl)cc1Cl)CC2 ZINC001275513272 1104786385 /nfs/dbraw/zinc/78/63/85/1104786385.db2.gz KJBSPYFMHVIBDB-UHFFFAOYSA-N 2 2 314.260 3.306 20 0 DGADLP COC(C)(C)CC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001276026624 1104991311 /nfs/dbraw/zinc/99/13/11/1104991311.db2.gz HHOBKFKQYBCFGI-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP COC(C)(C)CC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001276026624 1104991319 /nfs/dbraw/zinc/99/13/19/1104991319.db2.gz HHOBKFKQYBCFGI-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276050358 1105006024 /nfs/dbraw/zinc/00/60/24/1105006024.db2.gz VUSJOOKWLCAACH-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276050358 1105006032 /nfs/dbraw/zinc/00/60/32/1105006032.db2.gz VUSJOOKWLCAACH-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cn1 ZINC001276050358 1105006039 /nfs/dbraw/zinc/00/60/39/1105006039.db2.gz VUSJOOKWLCAACH-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276050358 1105006047 /nfs/dbraw/zinc/00/60/47/1105006047.db2.gz VUSJOOKWLCAACH-LJQANCHMSA-N 2 2 317.477 3.177 20 0 DGADLP Cc1c[nH]c(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1C ZINC001276140055 1105029446 /nfs/dbraw/zinc/02/94/46/1105029446.db2.gz OLSQLHTZOYSTBH-UHFFFAOYSA-N 2 2 301.478 3.472 20 0 DGADLP Cc1c[nH]c(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1C ZINC001276140055 1105029451 /nfs/dbraw/zinc/02/94/51/1105029451.db2.gz OLSQLHTZOYSTBH-UHFFFAOYSA-N 2 2 301.478 3.472 20 0 DGADLP Cc1[nH+]c[nH]c1CN1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001276206931 1105047650 /nfs/dbraw/zinc/04/76/50/1105047650.db2.gz PTOICTZTGDMRDJ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP Cc1[nH+]c[nH]c1CN1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001276206931 1105047656 /nfs/dbraw/zinc/04/76/56/1105047656.db2.gz PTOICTZTGDMRDJ-IBGZPJMESA-N 2 2 316.493 3.339 20 0 DGADLP Cc1ncoc1C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276215795 1105050467 /nfs/dbraw/zinc/05/04/67/1105050467.db2.gz IUEJHZHNJIDVMW-GOSISDBHSA-N 2 2 303.450 3.214 20 0 DGADLP Cc1ncoc1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001276215795 1105050474 /nfs/dbraw/zinc/05/04/74/1105050474.db2.gz IUEJHZHNJIDVMW-GOSISDBHSA-N 2 2 303.450 3.214 20 0 DGADLP Cc1ncoc1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276215795 1105050483 /nfs/dbraw/zinc/05/04/83/1105050483.db2.gz IUEJHZHNJIDVMW-GOSISDBHSA-N 2 2 303.450 3.214 20 0 DGADLP Cc1ncoc1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276215795 1105050490 /nfs/dbraw/zinc/05/04/90/1105050490.db2.gz IUEJHZHNJIDVMW-GOSISDBHSA-N 2 2 303.450 3.214 20 0 DGADLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001276222893 1105054071 /nfs/dbraw/zinc/05/40/71/1105054071.db2.gz AZCRMWFDULUQKY-IBGZPJMESA-N 2 2 316.493 3.041 20 0 DGADLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)cn1 ZINC001276222893 1105054079 /nfs/dbraw/zinc/05/40/79/1105054079.db2.gz AZCRMWFDULUQKY-IBGZPJMESA-N 2 2 316.493 3.041 20 0 DGADLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)cn1 ZINC001276222893 1105054084 /nfs/dbraw/zinc/05/40/84/1105054084.db2.gz AZCRMWFDULUQKY-IBGZPJMESA-N 2 2 316.493 3.041 20 0 DGADLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)cn1 ZINC001276222893 1105054094 /nfs/dbraw/zinc/05/40/94/1105054094.db2.gz AZCRMWFDULUQKY-IBGZPJMESA-N 2 2 316.493 3.041 20 0 DGADLP Cc1cccnc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276257777 1105065481 /nfs/dbraw/zinc/06/54/81/1105065481.db2.gz RYESDEWXOLSSAQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccnc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276257777 1105065489 /nfs/dbraw/zinc/06/54/89/1105065489.db2.gz RYESDEWXOLSSAQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276257777 1105065496 /nfs/dbraw/zinc/06/54/96/1105065496.db2.gz RYESDEWXOLSSAQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cccnc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276257777 1105065504 /nfs/dbraw/zinc/06/55/04/1105065504.db2.gz RYESDEWXOLSSAQ-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cs1 ZINC001248801980 1105165441 /nfs/dbraw/zinc/16/54/41/1105165441.db2.gz ORWDDWYUNXFGQN-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cs1 ZINC001248801980 1105165442 /nfs/dbraw/zinc/16/54/42/1105165442.db2.gz ORWDDWYUNXFGQN-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cs1 ZINC001248801980 1105165444 /nfs/dbraw/zinc/16/54/44/1105165444.db2.gz ORWDDWYUNXFGQN-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cs1 ZINC001248801980 1105165447 /nfs/dbraw/zinc/16/54/47/1105165447.db2.gz ORWDDWYUNXFGQN-SFHVURJKSA-N 2 2 322.518 3.379 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248882475 1105185550 /nfs/dbraw/zinc/18/55/50/1105185550.db2.gz QZAIJLNJHDFVJD-AWEZNQCLSA-N 2 2 311.389 3.011 20 0 DGADLP CC(C)C[C@@H](C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001249260913 1105259224 /nfs/dbraw/zinc/25/92/24/1105259224.db2.gz MDBNKVNJTBXXFU-ZDUSSCGKSA-N 2 2 311.389 3.011 20 0 DGADLP c1cc2cc[nH+]cc2c(NC2=CC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001249559017 1105314759 /nfs/dbraw/zinc/31/47/59/1105314759.db2.gz OMUJISPJAZIHLK-KRWDZBQOSA-N 2 2 309.413 3.415 20 0 DGADLP CC(C)Oc1cc(F)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC001250148786 1105455071 /nfs/dbraw/zinc/45/50/71/1105455071.db2.gz YHPIUYNRCMDRDI-UHFFFAOYSA-N 2 2 324.415 3.280 20 0 DGADLP CCCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001252098868 1105739535 /nfs/dbraw/zinc/73/95/35/1105739535.db2.gz WLMIZTDPXXWGFK-SFHVURJKSA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001252098868 1105739541 /nfs/dbraw/zinc/73/95/41/1105739541.db2.gz WLMIZTDPXXWGFK-SFHVURJKSA-N 2 2 322.468 3.273 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253392488 1105933375 /nfs/dbraw/zinc/93/33/75/1105933375.db2.gz JLHOXLCMJBVSHZ-CJNGLKHVSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253392488 1105933379 /nfs/dbraw/zinc/93/33/79/1105933379.db2.gz JLHOXLCMJBVSHZ-CJNGLKHVSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253390806 1105933968 /nfs/dbraw/zinc/93/39/68/1105933968.db2.gz BYBLIZAWEHIKDB-HZPDHXFCSA-N 2 2 310.869 3.226 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253390806 1105933972 /nfs/dbraw/zinc/93/39/72/1105933972.db2.gz BYBLIZAWEHIKDB-HZPDHXFCSA-N 2 2 310.869 3.226 20 0 DGADLP CCCCC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001253556198 1105957919 /nfs/dbraw/zinc/95/79/19/1105957919.db2.gz UPQVIQZIAUYWDF-VQTJNVASSA-N 2 2 318.505 3.224 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnn3ccccc23)[nH+]1 ZINC001254019109 1106010787 /nfs/dbraw/zinc/01/07/87/1106010787.db2.gz QTBVNHVGEWGOOQ-QGZVFWFLSA-N 2 2 321.428 3.114 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnn3ccccc23)[nH+]1 ZINC001254019109 1106010794 /nfs/dbraw/zinc/01/07/94/1106010794.db2.gz QTBVNHVGEWGOOQ-QGZVFWFLSA-N 2 2 321.428 3.114 20 0 DGADLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254389102 1106064392 /nfs/dbraw/zinc/06/43/92/1106064392.db2.gz NOYVJGJYDJVXDR-SFHVURJKSA-N 2 2 322.880 3.415 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254389102 1106064400 /nfs/dbraw/zinc/06/44/00/1106064400.db2.gz NOYVJGJYDJVXDR-SFHVURJKSA-N 2 2 322.880 3.415 20 0 DGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](C4CCC5(CC5)CC4)C[C@H]3C2)c1 ZINC001254442238 1106071011 /nfs/dbraw/zinc/07/10/11/1106071011.db2.gz DTZAXZCFAPENIY-QZTJIDSGSA-N 2 2 311.473 3.168 20 0 DGADLP C[N@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254533573 1106095810 /nfs/dbraw/zinc/09/58/10/1106095810.db2.gz MQQPXVDFWUZROC-QGZVFWFLSA-N 3 2 307.526 3.200 20 0 DGADLP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254533573 1106095815 /nfs/dbraw/zinc/09/58/15/1106095815.db2.gz MQQPXVDFWUZROC-QGZVFWFLSA-N 3 2 307.526 3.200 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254533573 1106095820 /nfs/dbraw/zinc/09/58/20/1106095820.db2.gz MQQPXVDFWUZROC-QGZVFWFLSA-N 3 2 307.526 3.200 20 0 DGADLP C[NH+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254533573 1106095823 /nfs/dbraw/zinc/09/58/23/1106095823.db2.gz MQQPXVDFWUZROC-QGZVFWFLSA-N 3 2 307.526 3.200 20 0 DGADLP COc1ccc(CC(C)(C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254845213 1106148102 /nfs/dbraw/zinc/14/81/02/1106148102.db2.gz NVQYFSRUQPWPSX-KRWDZBQOSA-N 2 2 302.462 3.090 20 0 DGADLP c1ccc(CC2CC[NH+](CC[NH2+]C3CCSCC3)CC2)cc1 ZINC001255076064 1106174409 /nfs/dbraw/zinc/17/44/09/1106174409.db2.gz BZKPPFRSGKKVGT-UHFFFAOYSA-N 2 2 318.530 3.426 20 0 DGADLP Cc1nccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001255128050 1106185413 /nfs/dbraw/zinc/18/54/13/1106185413.db2.gz JNULVSICDOKDNK-OWZKRDHZSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1nccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255128050 1106185415 /nfs/dbraw/zinc/18/54/15/1106185415.db2.gz JNULVSICDOKDNK-OWZKRDHZSA-N 2 2 322.456 3.070 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255291971 1106216800 /nfs/dbraw/zinc/21/68/00/1106216800.db2.gz BWGDZXJPFKBVNR-INIZCTEOSA-N 2 2 308.466 3.227 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255291971 1106216801 /nfs/dbraw/zinc/21/68/01/1106216801.db2.gz BWGDZXJPFKBVNR-INIZCTEOSA-N 2 2 308.466 3.227 20 0 DGADLP Cc1cc(N2CC[NH+](C3CCC(C)(C)CC3)CC2)nc(C)[nH+]1 ZINC001255306335 1106219223 /nfs/dbraw/zinc/21/92/23/1106219223.db2.gz HIPRZTJWSOQTHH-UHFFFAOYSA-N 2 2 302.466 3.184 20 0 DGADLP CC1(C)CCC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001255304401 1106219374 /nfs/dbraw/zinc/21/93/74/1106219374.db2.gz ITIQQCLTJDPQPN-QZTJIDSGSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255404492 1106244579 /nfs/dbraw/zinc/24/45/79/1106244579.db2.gz JPBIWIYKPCIHIH-SFHVURJKSA-N 2 2 314.473 3.342 20 0 DGADLP CC1(C)C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001255404492 1106244582 /nfs/dbraw/zinc/24/45/82/1106244582.db2.gz JPBIWIYKPCIHIH-SFHVURJKSA-N 2 2 314.473 3.342 20 0 DGADLP CC1(C)C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255404492 1106244587 /nfs/dbraw/zinc/24/45/87/1106244587.db2.gz JPBIWIYKPCIHIH-SFHVURJKSA-N 2 2 314.473 3.342 20 0 DGADLP CC1(C)C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1=O ZINC001255404492 1106244591 /nfs/dbraw/zinc/24/45/91/1106244591.db2.gz JPBIWIYKPCIHIH-SFHVURJKSA-N 2 2 314.473 3.342 20 0 DGADLP CN1CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409399 1106248208 /nfs/dbraw/zinc/24/82/08/1106248208.db2.gz XCZQUJSXEKXBGU-LJQANCHMSA-N 2 2 315.505 3.067 20 0 DGADLP CN1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409399 1106248211 /nfs/dbraw/zinc/24/82/11/1106248211.db2.gz XCZQUJSXEKXBGU-LJQANCHMSA-N 2 2 315.505 3.067 20 0 DGADLP CN1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409399 1106248213 /nfs/dbraw/zinc/24/82/13/1106248213.db2.gz XCZQUJSXEKXBGU-LJQANCHMSA-N 2 2 315.505 3.067 20 0 DGADLP CN1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1(C)C ZINC001255409399 1106248216 /nfs/dbraw/zinc/24/82/16/1106248216.db2.gz XCZQUJSXEKXBGU-LJQANCHMSA-N 2 2 315.505 3.067 20 0 DGADLP Cc1[nH+]cn([C@H](C)Cc2ccc(F)cc2)c1CSCC[NH3+] ZINC001255860374 1106330707 /nfs/dbraw/zinc/33/07/07/1106330707.db2.gz GKNYPEJFHWPMOT-GFCCVEGCSA-N 2 2 307.438 3.326 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001255878650 1106336711 /nfs/dbraw/zinc/33/67/11/1106336711.db2.gz PZJDKQJEQLWHFX-HNNXBMFYSA-N 2 2 313.420 3.410 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001255878651 1106336986 /nfs/dbraw/zinc/33/69/86/1106336986.db2.gz PZJDKQJEQLWHFX-OAHLLOKOSA-N 2 2 313.420 3.410 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001255954809 1106349150 /nfs/dbraw/zinc/34/91/50/1106349150.db2.gz ILCCJYAPLKSNFB-LBPRGKRZSA-N 2 2 303.372 3.310 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(OC2CCC2)n1 ZINC001255954073 1106349279 /nfs/dbraw/zinc/34/92/79/1106349279.db2.gz RRYXUHDRIAKGHT-OAHLLOKOSA-N 2 2 305.466 3.223 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC001255968025 1106352400 /nfs/dbraw/zinc/35/24/00/1106352400.db2.gz VHHAZEAWANKBIZ-OAHLLOKOSA-N 2 2 308.466 3.256 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1OC ZINC001255968025 1106352405 /nfs/dbraw/zinc/35/24/05/1106352405.db2.gz VHHAZEAWANKBIZ-OAHLLOKOSA-N 2 2 308.466 3.256 20 0 DGADLP c1ccc(C[N@H+](C2CCOCC2)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256079372 1106365992 /nfs/dbraw/zinc/36/59/92/1106365992.db2.gz ILYLJEKNKACAJB-UHFFFAOYSA-N 2 2 314.473 3.294 20 0 DGADLP c1ccc(C[N@@H+](C2CCOCC2)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256079372 1106365994 /nfs/dbraw/zinc/36/59/94/1106365994.db2.gz ILYLJEKNKACAJB-UHFFFAOYSA-N 2 2 314.473 3.294 20 0 DGADLP COc1cccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256080129 1106366070 /nfs/dbraw/zinc/36/60/70/1106366070.db2.gz RLQLVRXAHMPOQD-IBGZPJMESA-N 2 2 300.446 3.459 20 0 DGADLP COc1cccc([C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256080129 1106366073 /nfs/dbraw/zinc/36/60/73/1106366073.db2.gz RLQLVRXAHMPOQD-IBGZPJMESA-N 2 2 300.446 3.459 20 0 DGADLP c1ccc([C@@H]2CSCC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078716 1106366268 /nfs/dbraw/zinc/36/62/68/1106366268.db2.gz CZFXOBIUBIGVSE-SFHVURJKSA-N 2 2 302.487 3.403 20 0 DGADLP c1ccc([C@@H]2CSCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078716 1106366271 /nfs/dbraw/zinc/36/62/71/1106366271.db2.gz CZFXOBIUBIGVSE-SFHVURJKSA-N 2 2 302.487 3.403 20 0 DGADLP C[NH+]1CCC([NH+]2CCN(c3cccc4sccc43)CC2)CC1 ZINC001256209828 1106391180 /nfs/dbraw/zinc/39/11/80/1106391180.db2.gz AEXQVUBJCVMXDK-UHFFFAOYSA-N 2 2 315.486 3.118 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC3(C2)CCCOC3)CC[N@@H+]1Cc1ccccc1 ZINC001256536488 1106436334 /nfs/dbraw/zinc/43/63/34/1106436334.db2.gz DZRPWJJNBOFGPT-IEBWSBKVSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CC3(C2)CCCOC3)CC[N@H+]1Cc1ccccc1 ZINC001256536488 1106436335 /nfs/dbraw/zinc/43/63/35/1106436335.db2.gz DZRPWJJNBOFGPT-IEBWSBKVSA-N 2 2 314.473 3.152 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552258 1106440786 /nfs/dbraw/zinc/44/07/86/1106440786.db2.gz ATMKDIPJSZWKMP-ICSRJNTNSA-N 3 2 317.521 3.313 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552258 1106440790 /nfs/dbraw/zinc/44/07/90/1106440790.db2.gz ATMKDIPJSZWKMP-ICSRJNTNSA-N 3 2 317.521 3.313 20 0 DGADLP CC(C)[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556758 1106444103 /nfs/dbraw/zinc/44/41/03/1106444103.db2.gz GMVFJLXEFUZLHD-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556758 1106444104 /nfs/dbraw/zinc/44/41/04/1106444104.db2.gz GMVFJLXEFUZLHD-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556758 1106444105 /nfs/dbraw/zinc/44/41/05/1106444105.db2.gz GMVFJLXEFUZLHD-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC001256556758 1106444106 /nfs/dbraw/zinc/44/41/06/1106444106.db2.gz GMVFJLXEFUZLHD-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C2CC2)nc1 ZINC001256566561 1106446681 /nfs/dbraw/zinc/44/66/81/1106446681.db2.gz IYWWYKVALYBWMQ-GOSISDBHSA-N 2 2 317.477 3.394 20 0 DGADLP COc1ccc2c(c1)C[N@H+](C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256569030 1106447723 /nfs/dbraw/zinc/44/77/23/1106447723.db2.gz OJRQHKSUNSUNGE-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256569030 1106447726 /nfs/dbraw/zinc/44/77/26/1106447726.db2.gz OJRQHKSUNSUNGE-UHFFFAOYSA-N 2 2 302.462 3.316 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001256722094 1106472873 /nfs/dbraw/zinc/47/28/73/1106472873.db2.gz BACKYEWGYOBNOR-NQIIRXRSSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H](Cc1ccncc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256753570 1106479769 /nfs/dbraw/zinc/47/97/69/1106479769.db2.gz KRXPPTNSEHBSBC-MRXNPFEDSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@H](Cc1ccncc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001256753570 1106479771 /nfs/dbraw/zinc/47/97/71/1106479771.db2.gz KRXPPTNSEHBSBC-MRXNPFEDSA-N 2 2 301.478 3.351 20 0 DGADLP CCC1CCC([NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC001256872636 1106501248 /nfs/dbraw/zinc/50/12/48/1106501248.db2.gz DZHKATVSGADOAR-UHFFFAOYSA-N 2 2 302.466 3.184 20 0 DGADLP CCC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001256870978 1106501298 /nfs/dbraw/zinc/50/12/98/1106501298.db2.gz DMNVPBGXRWTATQ-JUNHRQJPSA-N 2 2 313.489 3.414 20 0 DGADLP CCC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001256870978 1106501301 /nfs/dbraw/zinc/50/13/01/1106501301.db2.gz DMNVPBGXRWTATQ-JUNHRQJPSA-N 2 2 313.489 3.414 20 0 DGADLP CCC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001256870978 1106501305 /nfs/dbraw/zinc/50/13/05/1106501305.db2.gz DMNVPBGXRWTATQ-JUNHRQJPSA-N 2 2 313.489 3.414 20 0 DGADLP CCC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001256870978 1106501306 /nfs/dbraw/zinc/50/13/06/1106501306.db2.gz DMNVPBGXRWTATQ-JUNHRQJPSA-N 2 2 313.489 3.414 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001256909996 1106509699 /nfs/dbraw/zinc/50/96/99/1106509699.db2.gz WGINUHQUNNTMKA-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001256909996 1106509703 /nfs/dbraw/zinc/50/97/03/1106509703.db2.gz WGINUHQUNNTMKA-KRWDZBQOSA-N 2 2 313.489 3.418 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC001257213301 1106552900 /nfs/dbraw/zinc/55/29/00/1106552900.db2.gz KOAFGBRBKSDQTQ-GOSISDBHSA-N 3 2 319.537 3.270 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001257224171 1106554450 /nfs/dbraw/zinc/55/44/50/1106554450.db2.gz QUUZVLJMVDDPLG-QGZVFWFLSA-N 2 2 300.446 3.064 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001257224171 1106554452 /nfs/dbraw/zinc/55/44/52/1106554452.db2.gz QUUZVLJMVDDPLG-QGZVFWFLSA-N 2 2 300.446 3.064 20 0 DGADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001257251760 1106555902 /nfs/dbraw/zinc/55/59/02/1106555902.db2.gz BCKVNLFPMOHWDP-IPMKNSEASA-N 2 2 304.478 3.444 20 0 DGADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001257251760 1106555905 /nfs/dbraw/zinc/55/59/05/1106555905.db2.gz BCKVNLFPMOHWDP-IPMKNSEASA-N 2 2 304.478 3.444 20 0 DGADLP CCCCCC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001257357139 1106573230 /nfs/dbraw/zinc/57/32/30/1106573230.db2.gz HVMWSEGEEDMLGX-WDSOQIARSA-N 2 2 303.494 3.147 20 0 DGADLP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001257391236 1106580472 /nfs/dbraw/zinc/58/04/72/1106580472.db2.gz KWJDOSQCEIBUPQ-QGZVFWFLSA-N 2 2 324.509 3.449 20 0 DGADLP CCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420210 1106585694 /nfs/dbraw/zinc/58/56/94/1106585694.db2.gz DZDHVYWYQKRZRP-GUDVDZBRSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420210 1106585698 /nfs/dbraw/zinc/58/56/98/1106585698.db2.gz DZDHVYWYQKRZRP-GUDVDZBRSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420210 1106585700 /nfs/dbraw/zinc/58/57/00/1106585700.db2.gz DZDHVYWYQKRZRP-GUDVDZBRSA-N 2 2 318.509 3.143 20 0 DGADLP CCCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001257420210 1106585703 /nfs/dbraw/zinc/58/57/03/1106585703.db2.gz DZDHVYWYQKRZRP-GUDVDZBRSA-N 2 2 318.509 3.143 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257487228 1106598120 /nfs/dbraw/zinc/59/81/20/1106598120.db2.gz DDSAVWBVCSEYJV-KLHKWILBSA-N 2 2 324.509 3.018 20 0 DGADLP CCCCC[C@@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257513592 1106601377 /nfs/dbraw/zinc/60/13/77/1106601377.db2.gz USYGQBYSYLJFRN-CQSZACIVSA-N 2 2 302.422 3.246 20 0 DGADLP CCCCC[C@@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001257513592 1106601380 /nfs/dbraw/zinc/60/13/80/1106601380.db2.gz USYGQBYSYLJFRN-CQSZACIVSA-N 2 2 302.422 3.246 20 0 DGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCSC1 ZINC001257670104 1106617756 /nfs/dbraw/zinc/61/77/56/1106617756.db2.gz COBWQYXYGMAVKM-GOSISDBHSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCSC1 ZINC001257670104 1106617759 /nfs/dbraw/zinc/61/77/59/1106617759.db2.gz COBWQYXYGMAVKM-GOSISDBHSA-N 2 2 304.503 3.478 20 0 DGADLP COc1cc(N(C2CC[NH2+]CC2)[C@H]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC001258168165 1106685207 /nfs/dbraw/zinc/68/52/07/1106685207.db2.gz CZSKVJPSPGMTLP-HWWDLCQESA-N 2 2 317.477 3.473 20 0 DGADLP Cc1cc(N2CC[NH+]([C@H]3C[C@H](C)C[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001258175663 1106687802 /nfs/dbraw/zinc/68/78/02/1106687802.db2.gz VWPUNASNOHMZJE-HALDLXJZSA-N 2 2 302.466 3.040 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284271 1106708736 /nfs/dbraw/zinc/70/87/36/1106708736.db2.gz BTRGASTXLIDRSL-FHWLQOOXSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258288620 1106710429 /nfs/dbraw/zinc/71/04/29/1106710429.db2.gz XYAJGFZMTCWBEU-LNLFQRSKSA-N 2 2 313.489 3.414 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc(C2CC2)c1 ZINC001320024529 1106791807 /nfs/dbraw/zinc/79/18/07/1106791807.db2.gz FTKIFVGHAYSYPI-UHFFFAOYSA-N 2 2 319.368 3.100 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258660891 1106887296 /nfs/dbraw/zinc/88/72/96/1106887296.db2.gz LQSIYFVUNDCBKN-PMACEKPBSA-N 2 2 316.489 3.194 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258660891 1106887307 /nfs/dbraw/zinc/88/73/07/1106887307.db2.gz LQSIYFVUNDCBKN-PMACEKPBSA-N 2 2 316.489 3.194 20 0 DGADLP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC001320237420 1106937085 /nfs/dbraw/zinc/93/70/85/1106937085.db2.gz OENNRASHEMRKEM-RTBURBONSA-N 2 2 319.468 3.035 20 0 DGADLP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CC1 ZINC001320237420 1106937099 /nfs/dbraw/zinc/93/70/99/1106937099.db2.gz OENNRASHEMRKEM-RTBURBONSA-N 2 2 319.468 3.035 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001258771566 1106968188 /nfs/dbraw/zinc/96/81/88/1106968188.db2.gz KCFCUMJPZHDBCF-UHFFFAOYSA-N 2 2 314.473 3.456 20 0 DGADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258783806 1106975175 /nfs/dbraw/zinc/97/51/75/1106975175.db2.gz JGSJPJKETOMRND-BVBHFADKSA-N 2 2 303.494 3.003 20 0 DGADLP Cc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)[nH+]c2ccccc12 ZINC001321367060 1107332119 /nfs/dbraw/zinc/33/21/19/1107332119.db2.gz QBMPTMKUHNTKNP-MRXNPFEDSA-N 2 2 313.445 3.312 20 0 DGADLP Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[nH+]c2ccccc12 ZINC001321367060 1107332132 /nfs/dbraw/zinc/33/21/32/1107332132.db2.gz QBMPTMKUHNTKNP-MRXNPFEDSA-N 2 2 313.445 3.312 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001322208036 1107569614 /nfs/dbraw/zinc/56/96/14/1107569614.db2.gz DTNFNHRFSYZTJP-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001322208036 1107569622 /nfs/dbraw/zinc/56/96/22/1107569622.db2.gz DTNFNHRFSYZTJP-HNNXBMFYSA-N 2 2 317.477 3.247 20 0 DGADLP CCO[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+](C)C ZINC001262207347 1107652055 /nfs/dbraw/zinc/65/20/55/1107652055.db2.gz ZBSYQWLXYDOHGU-KDOFPFPSSA-N 2 2 315.461 3.102 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cncc(F)c2)[nH+]1 ZINC001322620611 1107719330 /nfs/dbraw/zinc/71/93/30/1107719330.db2.gz BEHUQIVNCJBHMH-MRXNPFEDSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cncc(F)c2)[nH+]1 ZINC001322620611 1107719343 /nfs/dbraw/zinc/71/93/43/1107719343.db2.gz BEHUQIVNCJBHMH-MRXNPFEDSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C)c1C ZINC001322847306 1107766285 /nfs/dbraw/zinc/76/62/85/1107766285.db2.gz SXDRKXGHOZRNKY-UHFFFAOYSA-N 2 2 306.369 3.445 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2csc(Br)c2)C1 ZINC000380990117 1108082913 /nfs/dbraw/zinc/08/29/13/1108082913.db2.gz KVWVKJOESFCJHJ-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000380990117 1108082928 /nfs/dbraw/zinc/08/29/28/1108082928.db2.gz KVWVKJOESFCJHJ-JTQLQIEISA-N 2 2 303.269 3.071 20 0 DGADLP Cc1ccc([C@H](C)C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)o1 ZINC001318731933 1108172999 /nfs/dbraw/zinc/17/29/99/1108172999.db2.gz OBABYOIOPZXZDJ-LBPRGKRZSA-N 2 2 310.357 3.219 20 0 DGADLP COc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)c1 ZINC001318763480 1108188608 /nfs/dbraw/zinc/18/86/08/1108188608.db2.gz HRZQGWJPIOBOIX-UHFFFAOYSA-N 2 2 322.368 3.145 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC001324358334 1108264299 /nfs/dbraw/zinc/26/42/99/1108264299.db2.gz PLPNOVZRMRKXRC-AWEZNQCLSA-N 2 2 322.412 3.133 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001324424354 1108282436 /nfs/dbraw/zinc/28/24/36/1108282436.db2.gz JATXKQWKWLQJAT-JSGCOSHPSA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001324424354 1108282448 /nfs/dbraw/zinc/28/24/48/1108282448.db2.gz JATXKQWKWLQJAT-JSGCOSHPSA-N 2 2 316.276 3.259 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)c(C)[nH+]1 ZINC001265551338 1108906664 /nfs/dbraw/zinc/90/66/64/1108906664.db2.gz YAPSEESBLWPGDY-IYBDPMFKSA-N 2 2 317.477 3.293 20 0 DGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001282146049 1109457122 /nfs/dbraw/zinc/45/71/22/1109457122.db2.gz GWVCEIIGDLODAW-CHWSQXEVSA-N 2 2 316.449 3.096 20 0 DGADLP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001316617677 1109459021 /nfs/dbraw/zinc/45/90/21/1109459021.db2.gz GTKKRZQMQSWIFI-CALCHBBNSA-N 2 2 315.461 3.071 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463205 1111301971 /nfs/dbraw/zinc/30/19/71/1111301971.db2.gz KREWZBLUDFZLGY-KRWDZBQOSA-N 2 2 324.896 3.397 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463205 1111301976 /nfs/dbraw/zinc/30/19/76/1111301976.db2.gz KREWZBLUDFZLGY-KRWDZBQOSA-N 2 2 324.896 3.397 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463205 1111301979 /nfs/dbraw/zinc/30/19/79/1111301979.db2.gz KREWZBLUDFZLGY-KRWDZBQOSA-N 2 2 324.896 3.397 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC001307463205 1111301984 /nfs/dbraw/zinc/30/19/84/1111301984.db2.gz KREWZBLUDFZLGY-KRWDZBQOSA-N 2 2 324.896 3.397 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1F ZINC001308039484 1111369928 /nfs/dbraw/zinc/36/99/28/1111369928.db2.gz FHISQENYOGZURV-CQSZACIVSA-N 2 2 317.383 3.379 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1F ZINC001308039484 1111369931 /nfs/dbraw/zinc/36/99/31/1111369931.db2.gz FHISQENYOGZURV-CQSZACIVSA-N 2 2 317.383 3.379 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2nsnc21 ZINC001308218164 1111399750 /nfs/dbraw/zinc/39/97/50/1111399750.db2.gz VQSPIGKZOWBCBK-CQSZACIVSA-N 2 2 315.446 3.092 20 0 DGADLP COCc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC001308223816 1111400406 /nfs/dbraw/zinc/40/04/06/1111400406.db2.gz IYFMZTJVWLARHF-UHFFFAOYSA-N 2 2 307.397 3.309 20 0 DGADLP Fc1cccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001308266203 1111407665 /nfs/dbraw/zinc/40/76/65/1111407665.db2.gz OINLSEDXQLYNJT-UHFFFAOYSA-N 2 2 313.351 3.483 20 0 DGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308289951 1111411349 /nfs/dbraw/zinc/41/13/49/1111411349.db2.gz FOGXBDUMWDBNTD-WMLDXEAASA-N 2 2 319.474 3.475 20 0 DGADLP C[C@H](O)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001308477823 1111432630 /nfs/dbraw/zinc/43/26/30/1111432630.db2.gz NJDVNFMYHWCPSU-GUYCJALGSA-N 2 2 313.426 3.146 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc(F)c1N)c1ccccc1 ZINC001308475738 1111432770 /nfs/dbraw/zinc/43/27/70/1111432770.db2.gz SRQNKHZKWOEEOE-QGZVFWFLSA-N 2 2 324.403 3.215 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1C)C[NH+](C)C ZINC001308517391 1111436748 /nfs/dbraw/zinc/43/67/48/1111436748.db2.gz FAWVWLVIIIRLRU-HNNXBMFYSA-N 2 2 318.383 3.070 20 0 DGADLP CCC(CC)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)OC ZINC001308676607 1111459647 /nfs/dbraw/zinc/45/96/47/1111459647.db2.gz ODKFPHHZLRJKHT-UHFFFAOYSA-N 2 2 321.446 3.003 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC001308841273 1111483343 /nfs/dbraw/zinc/48/33/43/1111483343.db2.gz VTQXYPYHSOWPCE-KURKYZTESA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC001308841273 1111483346 /nfs/dbraw/zinc/48/33/46/1111483346.db2.gz VTQXYPYHSOWPCE-KURKYZTESA-N 2 2 304.865 3.414 20 0 DGADLP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1F ZINC001308883612 1111488314 /nfs/dbraw/zinc/48/83/14/1111488314.db2.gz YRYDLTUHWSGRNB-ZBFHGGJFSA-N 2 2 308.441 3.387 20 0 DGADLP COc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1F ZINC001308883612 1111488316 /nfs/dbraw/zinc/48/83/16/1111488316.db2.gz YRYDLTUHWSGRNB-ZBFHGGJFSA-N 2 2 308.441 3.387 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cn1 ZINC001308984403 1111505342 /nfs/dbraw/zinc/50/53/42/1111505342.db2.gz ZDVZXISJRFNAHW-UHFFFAOYSA-N 2 2 312.461 3.393 20 0 DGADLP CCO[C@@H](C)c1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000076729311 185035638 /nfs/dbraw/zinc/03/56/38/185035638.db2.gz JDKCGVPZABCLFP-ZDUSSCGKSA-N 2 2 320.462 3.274 20 0 DGADLP Cc1cccn2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)nc12 ZINC000076894952 185050565 /nfs/dbraw/zinc/05/05/65/185050565.db2.gz ADTIHWQMNKIDNU-UHFFFAOYSA-N 2 2 317.396 3.118 20 0 DGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]3C3CC3)CC2)ccn1 ZINC000414195674 230707988 /nfs/dbraw/zinc/70/79/88/230707988.db2.gz OFHSYNCCYQTWAQ-ICSRJNTNSA-N 2 2 313.489 3.462 20 0 DGADLP Cc1nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)oc1C ZINC000278507872 214199472 /nfs/dbraw/zinc/19/94/72/214199472.db2.gz BAPGTMXASIZCSE-UHFFFAOYSA-N 2 2 301.390 3.038 20 0 DGADLP OC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCCCC1 ZINC000305882578 231081300 /nfs/dbraw/zinc/08/13/00/231081300.db2.gz VZRPHQGXQWYGRD-UHFFFAOYSA-N 2 2 322.415 3.078 20 0 DGADLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761919 231105300 /nfs/dbraw/zinc/10/53/00/231105300.db2.gz YIWBLEJCWDJUTI-LPHOPBHVSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000309761919 231105303 /nfs/dbraw/zinc/10/53/03/231105303.db2.gz YIWBLEJCWDJUTI-LPHOPBHVSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@H](C[NH2+]Cc1csc(-c2cccs2)n1)Cn1cc[nH+]c1 ZINC000103170575 432005085 /nfs/dbraw/zinc/00/50/85/432005085.db2.gz GKKNPIPMBIRUGP-GFCCVEGCSA-N 2 2 318.471 3.494 20 0 DGADLP CCc1cc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc(C)[nH+]1 ZINC000302044376 529531851 /nfs/dbraw/zinc/53/18/51/529531851.db2.gz JTVJBVSAVDHELO-KRWDZBQOSA-N 2 2 316.493 3.296 20 0 DGADLP CCc1cc(NCc2ccc(C)[nH+]c2N2CCCC2)nc(C)[nH+]1 ZINC000302092179 529558744 /nfs/dbraw/zinc/55/87/44/529558744.db2.gz MOMQOESPLKRYRV-UHFFFAOYSA-N 2 2 311.433 3.263 20 0 DGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C(=O)OC)cc1 ZINC000294928681 529607692 /nfs/dbraw/zinc/60/76/92/529607692.db2.gz XINDJXLSYIEZCV-SFHVURJKSA-N 2 2 312.413 3.460 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(OC)c1OC ZINC000415062762 529612110 /nfs/dbraw/zinc/61/21/10/529612110.db2.gz GCRZKNCAPOHCNA-KRWDZBQOSA-N 2 2 314.429 3.056 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000090252119 185288113 /nfs/dbraw/zinc/28/81/13/185288113.db2.gz UVOYDGCIJITZLU-JTQLQIEISA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000090252119 185288114 /nfs/dbraw/zinc/28/81/14/185288114.db2.gz UVOYDGCIJITZLU-JTQLQIEISA-N 2 2 317.658 3.273 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648340 185331464 /nfs/dbraw/zinc/33/14/64/185331464.db2.gz YLBLNLWHADGLJI-UHFFFAOYSA-N 2 2 321.428 3.419 20 0 DGADLP Clc1cccc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c12 ZINC000286662403 219109786 /nfs/dbraw/zinc/10/97/86/219109786.db2.gz MEDIBNMCALPZAF-UHFFFAOYSA-N 2 2 305.809 3.022 20 0 DGADLP Clc1cccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c12 ZINC000286662403 219109788 /nfs/dbraw/zinc/10/97/88/219109788.db2.gz MEDIBNMCALPZAF-UHFFFAOYSA-N 2 2 305.809 3.022 20 0 DGADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162577 282336352 /nfs/dbraw/zinc/33/63/52/282336352.db2.gz ACSZYCIQTCXNDF-TZMCWYRMSA-N 2 2 317.462 3.045 20 0 DGADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000273162577 282336353 /nfs/dbraw/zinc/33/63/53/282336353.db2.gz ACSZYCIQTCXNDF-TZMCWYRMSA-N 2 2 317.462 3.045 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430622256 529988585 /nfs/dbraw/zinc/98/85/85/529988585.db2.gz FUOOEGJHLGAYPG-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430622256 529988586 /nfs/dbraw/zinc/98/85/86/529988586.db2.gz FUOOEGJHLGAYPG-ZDUSSCGKSA-N 2 2 319.836 3.426 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430645837 530001695 /nfs/dbraw/zinc/00/16/95/530001695.db2.gz OSAHCWROKWPRNI-GFCCVEGCSA-N 2 2 317.260 3.304 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430645837 530001696 /nfs/dbraw/zinc/00/16/96/530001696.db2.gz OSAHCWROKWPRNI-GFCCVEGCSA-N 2 2 317.260 3.304 20 0 DGADLP C[N@H+](Cc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435621730 530023199 /nfs/dbraw/zinc/02/31/99/530023199.db2.gz OILHTPHHJUQVQJ-GFCCVEGCSA-N 2 2 308.376 3.005 20 0 DGADLP C[N@@H+](Cc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435621730 530023201 /nfs/dbraw/zinc/02/32/01/530023201.db2.gz OILHTPHHJUQVQJ-GFCCVEGCSA-N 2 2 308.376 3.005 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079337 530065604 /nfs/dbraw/zinc/06/56/04/530065604.db2.gz WCKCIQCKONQPQH-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079337 530065605 /nfs/dbraw/zinc/06/56/05/530065605.db2.gz WCKCIQCKONQPQH-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079337 530065606 /nfs/dbraw/zinc/06/56/06/530065606.db2.gz WCKCIQCKONQPQH-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)C1 ZINC000293079337 530065607 /nfs/dbraw/zinc/06/56/07/530065607.db2.gz WCKCIQCKONQPQH-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000415029778 530036960 /nfs/dbraw/zinc/03/69/60/530036960.db2.gz BNDQSXBXVLZMNN-QGZVFWFLSA-N 2 2 310.445 3.080 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000292344632 530050595 /nfs/dbraw/zinc/05/05/95/530050595.db2.gz AFHWJXIQJVQEEQ-UHFFFAOYSA-N 2 2 303.431 3.010 20 0 DGADLP Clc1ccc(C[NH2+]CCCn2cc[nH+]c2)c2ncccc12 ZINC000130003648 432011983 /nfs/dbraw/zinc/01/19/83/432011983.db2.gz RWWQOVMLEQQYIV-UHFFFAOYSA-N 2 2 300.793 3.265 20 0 DGADLP C[N@H+](Cc1c(F)ccc(Br)c1F)CC(C)(C)C[NH3+] ZINC000230320072 201878714 /nfs/dbraw/zinc/87/87/14/201878714.db2.gz DMOYAOBUQAHQKC-UHFFFAOYSA-N 2 2 321.209 3.144 20 0 DGADLP C[N@@H+](Cc1c(F)ccc(Br)c1F)CC(C)(C)C[NH3+] ZINC000230320072 201878717 /nfs/dbraw/zinc/87/87/17/201878717.db2.gz DMOYAOBUQAHQKC-UHFFFAOYSA-N 2 2 321.209 3.144 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000279626085 215017254 /nfs/dbraw/zinc/01/72/54/215017254.db2.gz KKTMLMUNYBUFGS-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000272661844 210067207 /nfs/dbraw/zinc/06/72/07/210067207.db2.gz RNHNHFZEULHGSJ-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000272661844 210067211 /nfs/dbraw/zinc/06/72/11/210067211.db2.gz RNHNHFZEULHGSJ-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000272661844 210067215 /nfs/dbraw/zinc/06/72/15/210067215.db2.gz RNHNHFZEULHGSJ-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OC ZINC000272661844 210067222 /nfs/dbraw/zinc/06/72/22/210067222.db2.gz RNHNHFZEULHGSJ-IAGOWNOFSA-N 2 2 318.461 3.010 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272654301 210059873 /nfs/dbraw/zinc/05/98/73/210059873.db2.gz QJJZXMISQLFALD-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272654301 210059875 /nfs/dbraw/zinc/05/98/75/210059875.db2.gz QJJZXMISQLFALD-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272654301 210059877 /nfs/dbraw/zinc/05/98/77/210059877.db2.gz QJJZXMISQLFALD-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272654301 210059881 /nfs/dbraw/zinc/05/98/81/210059881.db2.gz QJJZXMISQLFALD-PXNSSMCTSA-N 2 2 324.472 3.015 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619187 210020763 /nfs/dbraw/zinc/02/07/63/210020763.db2.gz LRDKPVVKDZXOMV-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619187 210020764 /nfs/dbraw/zinc/02/07/64/210020764.db2.gz LRDKPVVKDZXOMV-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619187 210020766 /nfs/dbraw/zinc/02/07/66/210020766.db2.gz LRDKPVVKDZXOMV-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619187 210020767 /nfs/dbraw/zinc/02/07/67/210020767.db2.gz LRDKPVVKDZXOMV-FXAWDEMLSA-N 2 2 307.441 3.275 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000279921611 215240265 /nfs/dbraw/zinc/24/02/65/215240265.db2.gz FKBYDIYKKJRJDR-LJQANCHMSA-N 2 2 306.413 3.274 20 0 DGADLP Brc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869057 432022821 /nfs/dbraw/zinc/02/28/21/432022821.db2.gz ZJNRCWJDQISDEK-ZIAGYGMSSA-N 2 2 309.251 3.166 20 0 DGADLP Brc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869057 432022823 /nfs/dbraw/zinc/02/28/23/432022823.db2.gz ZJNRCWJDQISDEK-ZIAGYGMSSA-N 2 2 309.251 3.166 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279960324 215272503 /nfs/dbraw/zinc/27/25/03/215272503.db2.gz IPMOMZKXHQGQBT-CYBMUJFWSA-N 2 2 314.433 3.490 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000155861296 186118560 /nfs/dbraw/zinc/11/85/60/186118560.db2.gz LZEXKMMXIKQKBJ-ZDUSSCGKSA-N 2 2 323.444 3.492 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OCc2ccccn2)c1 ZINC000179687715 186205920 /nfs/dbraw/zinc/20/59/20/186205920.db2.gz NBVGYULNZWFEGN-MRXNPFEDSA-N 2 2 322.412 3.208 20 0 DGADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838274 186262035 /nfs/dbraw/zinc/26/20/35/186262035.db2.gz WOGDPYOWUNABNR-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838274 186262037 /nfs/dbraw/zinc/26/20/37/186262037.db2.gz WOGDPYOWUNABNR-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000268738353 186372653 /nfs/dbraw/zinc/37/26/53/186372653.db2.gz WTAAQMLGSKBREY-QGZVFWFLSA-N 2 2 309.457 3.439 20 0 DGADLP C[N@H+](CCc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172166524 198050938 /nfs/dbraw/zinc/05/09/38/198050938.db2.gz CDKIMRXGSYYAFT-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[N@@H+](CCc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172166524 198050939 /nfs/dbraw/zinc/05/09/39/198050939.db2.gz CDKIMRXGSYYAFT-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)c[nH+]1 ZINC000072718463 191222170 /nfs/dbraw/zinc/22/21/70/191222170.db2.gz UGTBCXGOJRCLAI-IBGZPJMESA-N 3 2 324.472 3.180 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)c[nH+]1 ZINC000072718463 191222173 /nfs/dbraw/zinc/22/21/73/191222173.db2.gz UGTBCXGOJRCLAI-IBGZPJMESA-N 3 2 324.472 3.180 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861115 191243671 /nfs/dbraw/zinc/24/36/71/191243671.db2.gz COWWMGDLWSSDMS-HNNXBMFYSA-N 2 2 308.491 3.191 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861115 191243673 /nfs/dbraw/zinc/24/36/73/191243673.db2.gz COWWMGDLWSSDMS-HNNXBMFYSA-N 2 2 308.491 3.191 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861115 191243676 /nfs/dbraw/zinc/24/36/76/191243676.db2.gz COWWMGDLWSSDMS-HNNXBMFYSA-N 2 2 308.491 3.191 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000072861115 191243679 /nfs/dbraw/zinc/24/36/79/191243679.db2.gz COWWMGDLWSSDMS-HNNXBMFYSA-N 2 2 308.491 3.191 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(Br)c1)Cn1cc[nH+]c1 ZINC000067500740 432031924 /nfs/dbraw/zinc/03/19/24/432031924.db2.gz IWPLIOGJGGHFLA-GFCCVEGCSA-N 2 2 308.223 3.072 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173880329 198263602 /nfs/dbraw/zinc/26/36/02/198263602.db2.gz QFWYDBWJXASJSC-KRWDZBQOSA-N 2 2 324.472 3.246 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173880329 198263604 /nfs/dbraw/zinc/26/36/04/198263604.db2.gz QFWYDBWJXASJSC-KRWDZBQOSA-N 2 2 324.472 3.246 20 0 DGADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OC(C)C ZINC000067500921 432032365 /nfs/dbraw/zinc/03/23/65/432032365.db2.gz VFTWILPOJPJRQX-OAHLLOKOSA-N 2 2 317.433 3.105 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CS1 ZINC000277116360 213304640 /nfs/dbraw/zinc/30/46/40/213304640.db2.gz IJUOFMKMBSFFPW-ZWKOTPCHSA-N 2 2 319.518 3.166 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCCO1 ZINC000174393923 198329415 /nfs/dbraw/zinc/32/94/15/198329415.db2.gz QYHXGJMAWNBDRB-GOSISDBHSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCCO1 ZINC000174393923 198329417 /nfs/dbraw/zinc/32/94/17/198329417.db2.gz QYHXGJMAWNBDRB-GOSISDBHSA-N 2 2 317.477 3.189 20 0 DGADLP Cc1ncsc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000174414020 198331603 /nfs/dbraw/zinc/33/16/03/198331603.db2.gz RKVSHZGMXYAJGV-UHFFFAOYSA-N 2 2 300.431 3.061 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182179945 199399753 /nfs/dbraw/zinc/39/97/53/199399753.db2.gz NZJHGFCFEVNLBY-SFHVURJKSA-N 2 2 312.461 3.125 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000163598482 432038719 /nfs/dbraw/zinc/03/87/19/432038719.db2.gz JPGQOLBCESLCJV-GOSISDBHSA-N 2 2 322.880 3.319 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(F)c1 ZINC000163790735 432043001 /nfs/dbraw/zinc/04/30/01/432043001.db2.gz FOYYKRNVMRBWEH-ZDUSSCGKSA-N 2 2 303.381 3.382 20 0 DGADLP Cc1csc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000080274052 192019027 /nfs/dbraw/zinc/01/90/27/192019027.db2.gz SNABXESFALZAPO-ZDUSSCGKSA-N 2 2 302.447 3.166 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000165635236 432056412 /nfs/dbraw/zinc/05/64/12/432056412.db2.gz DHQVTHNACQVNQQ-OAHLLOKOSA-N 3 2 309.417 3.118 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166304942 432060179 /nfs/dbraw/zinc/06/01/79/432060179.db2.gz NFMOFAPTOGRLAW-YDHLFZDLSA-N 2 2 305.441 3.168 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166304942 432060181 /nfs/dbraw/zinc/06/01/81/432060181.db2.gz NFMOFAPTOGRLAW-YDHLFZDLSA-N 2 2 305.441 3.168 20 0 DGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000236930293 202076939 /nfs/dbraw/zinc/07/69/39/202076939.db2.gz OUKJRSYHDPBVDH-NHYWBVRUSA-N 2 2 316.449 3.183 20 0 DGADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCCO1 ZINC000167043921 432063723 /nfs/dbraw/zinc/06/37/23/432063723.db2.gz LLTNSWHLTWSUEK-SFHVURJKSA-N 2 2 322.880 3.463 20 0 DGADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCO1 ZINC000167063327 432063933 /nfs/dbraw/zinc/06/39/33/432063933.db2.gz YDGDVJYWRCLAGP-SFHVURJKSA-N 2 2 322.880 3.463 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@H]2C[NH+]2CCCC2)n1-c1ccccc1 ZINC000179644879 432065784 /nfs/dbraw/zinc/06/57/84/432065784.db2.gz CWIKBRSLEDKAHA-IBGZPJMESA-N 2 2 324.472 3.241 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC000167859610 432066988 /nfs/dbraw/zinc/06/69/88/432066988.db2.gz MBAPEZKWIQSRFJ-LSDHHAIUSA-N 2 2 300.450 3.200 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000168542566 432068341 /nfs/dbraw/zinc/06/83/41/432068341.db2.gz OMUADUWNLRNUCP-ZOODHJKOSA-N 2 2 311.267 3.235 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)c[nH+]1 ZINC000168950996 432070859 /nfs/dbraw/zinc/07/08/59/432070859.db2.gz MWKLGIVLOFESKA-FHWLQOOXSA-N 2 2 323.440 3.310 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cc(C)ccc1OC ZINC000179408628 199030136 /nfs/dbraw/zinc/03/01/36/199030136.db2.gz CNTXCPBPXIYKPT-GOSISDBHSA-N 2 2 320.477 3.155 20 0 DGADLP C[C@H]([NH2+]C1(c2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422939525 299267424 /nfs/dbraw/zinc/26/74/24/299267424.db2.gz GANFJARJFIMYPQ-FZMZJTMJSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@@H+]1C ZINC000179552190 199053948 /nfs/dbraw/zinc/05/39/48/199053948.db2.gz ALNZXPODBGRDTB-LJHODMEESA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)CC[N@H+]1C ZINC000179552190 199053950 /nfs/dbraw/zinc/05/39/50/199053950.db2.gz ALNZXPODBGRDTB-LJHODMEESA-N 2 2 313.420 3.382 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000449105332 299271846 /nfs/dbraw/zinc/27/18/46/299271846.db2.gz CZZGQAJCSHANOT-UWVAXJGDSA-N 3 2 321.553 3.349 20 0 DGADLP CCCC(O)(CCC)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180166321 432080409 /nfs/dbraw/zinc/08/04/09/432080409.db2.gz VQHVOPICAGBXLL-UHFFFAOYSA-N 2 2 324.431 3.324 20 0 DGADLP CC[C@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC[NH2+]1 ZINC000134584678 432080934 /nfs/dbraw/zinc/08/09/34/432080934.db2.gz HKCSOHHPKJRFMU-GOSISDBHSA-N 2 2 311.385 3.345 20 0 DGADLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3)s2)CCC[NH2+]1 ZINC000414943535 236970075 /nfs/dbraw/zinc/97/00/75/236970075.db2.gz MGCISUFTRGDCSL-SFHVURJKSA-N 2 2 316.470 3.273 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)n2c1 ZINC000415061478 237045627 /nfs/dbraw/zinc/04/56/27/237045627.db2.gz YEWUJCGNWFAAFK-SFHVURJKSA-N 3 2 308.429 3.213 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)C1CCCC1 ZINC000415065336 237048562 /nfs/dbraw/zinc/04/85/62/237048562.db2.gz MPGKMUBYYOXBOU-AWEZNQCLSA-N 2 2 307.488 3.479 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)C1CCCC1 ZINC000415044840 237029195 /nfs/dbraw/zinc/02/91/95/237029195.db2.gz CAKMBSYJGLXOBS-ZDUSSCGKSA-N 2 2 307.488 3.479 20 0 DGADLP C[C@]1(C[NH2+]Cc2nc(-c3ccccc3F)cs2)CC[NH2+]C1 ZINC000415093656 237071987 /nfs/dbraw/zinc/07/19/87/237071987.db2.gz CNKPTYXZZXNFPL-INIZCTEOSA-N 2 2 305.422 3.038 20 0 DGADLP Cc1ccc([NH2+]C2CCC(C[NH3+])CC2)c(OC[C@H]2CCCO2)c1 ZINC000415117716 237090784 /nfs/dbraw/zinc/09/07/84/237090784.db2.gz IXVXAEORQIYSDM-OFLPRAFFSA-N 2 2 318.461 3.482 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000237511741 202266542 /nfs/dbraw/zinc/26/65/42/202266542.db2.gz KMVFMUGSNTUWDB-FUHWJXTLSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000237511741 202266546 /nfs/dbraw/zinc/26/65/46/202266546.db2.gz KMVFMUGSNTUWDB-FUHWJXTLSA-N 2 2 302.462 3.107 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333808876 296000285 /nfs/dbraw/zinc/00/02/85/296000285.db2.gz IWYZQUQDBMRWRU-PPHBOOHOSA-N 3 2 319.537 3.040 20 0 DGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000422706041 296001906 /nfs/dbraw/zinc/00/19/06/296001906.db2.gz SRYQDYKVKOTTGX-DLBZAZTESA-N 3 2 304.482 3.174 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422800368 237799486 /nfs/dbraw/zinc/79/94/86/237799486.db2.gz ZXLOVDQNDWAQBP-SMDDNHRTSA-N 2 2 302.340 3.205 20 0 DGADLP c1cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[nH+]cc1N1CCCCC1 ZINC000422919027 237810637 /nfs/dbraw/zinc/81/06/37/237810637.db2.gz IVNHRVMFQAQKFS-FGTMMUONSA-N 2 2 314.477 3.405 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134879688 432088492 /nfs/dbraw/zinc/08/84/92/432088492.db2.gz WQQUQHLASLAMHZ-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134879688 432088494 /nfs/dbraw/zinc/08/84/94/432088494.db2.gz WQQUQHLASLAMHZ-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134879688 432088496 /nfs/dbraw/zinc/08/84/96/432088496.db2.gz WQQUQHLASLAMHZ-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000134879688 432088498 /nfs/dbraw/zinc/08/84/98/432088498.db2.gz WQQUQHLASLAMHZ-RDTXWAMCSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711666 238058647 /nfs/dbraw/zinc/05/86/47/238058647.db2.gz QMLMNVZZRHASDN-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711666 238058648 /nfs/dbraw/zinc/05/86/48/238058648.db2.gz QMLMNVZZRHASDN-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711666 238058649 /nfs/dbraw/zinc/05/86/49/238058649.db2.gz QMLMNVZZRHASDN-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711666 238058650 /nfs/dbraw/zinc/05/86/50/238058650.db2.gz QMLMNVZZRHASDN-PKOBYXMFSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000430565789 238079723 /nfs/dbraw/zinc/07/97/23/238079723.db2.gz GJRPNBYGHQMASC-FQEVSTJZSA-N 2 2 323.440 3.009 20 0 DGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430587573 238080880 /nfs/dbraw/zinc/08/08/80/238080880.db2.gz WJRJGPKRAWRYJB-CQSZACIVSA-N 2 2 313.445 3.084 20 0 DGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430587573 238080881 /nfs/dbraw/zinc/08/08/81/238080881.db2.gz WJRJGPKRAWRYJB-CQSZACIVSA-N 2 2 313.445 3.084 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430615443 238081955 /nfs/dbraw/zinc/08/19/55/238081955.db2.gz CAIHLDKXNDDGOJ-IBGZPJMESA-N 2 2 323.440 3.252 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000430615443 238081956 /nfs/dbraw/zinc/08/19/56/238081956.db2.gz CAIHLDKXNDDGOJ-IBGZPJMESA-N 2 2 323.440 3.252 20 0 DGADLP Clc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134947121 432090786 /nfs/dbraw/zinc/09/07/86/432090786.db2.gz VXWYAGXRWJHHPA-CJNGLKHVSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134947121 432090792 /nfs/dbraw/zinc/09/07/92/432090792.db2.gz VXWYAGXRWJHHPA-CJNGLKHVSA-N 2 2 305.853 3.184 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000430883353 238088830 /nfs/dbraw/zinc/08/88/30/238088830.db2.gz CQUJUHLQAUSVAD-JKSUJKDBSA-N 2 2 312.417 3.313 20 0 DGADLP C[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000430933998 238090204 /nfs/dbraw/zinc/09/02/04/238090204.db2.gz KPRDSQSGKIFLTJ-GXFFZTMASA-N 2 2 303.233 3.041 20 0 DGADLP C[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000430933998 238090205 /nfs/dbraw/zinc/09/02/05/238090205.db2.gz KPRDSQSGKIFLTJ-GXFFZTMASA-N 2 2 303.233 3.041 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919532 238090273 /nfs/dbraw/zinc/09/02/73/238090273.db2.gz LLBVDHKWFZRHOO-GYSYKLTISA-N 2 2 320.824 3.120 20 0 DGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919532 238090274 /nfs/dbraw/zinc/09/02/74/238090274.db2.gz LLBVDHKWFZRHOO-GYSYKLTISA-N 2 2 320.824 3.120 20 0 DGADLP Clc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134947121 432090795 /nfs/dbraw/zinc/09/07/95/432090795.db2.gz VXWYAGXRWJHHPA-CJNGLKHVSA-N 2 2 305.853 3.184 20 0 DGADLP c1cn(CCCC2CC[NH+](CCC3CCOCC3)CC2)c[nH+]1 ZINC000432853083 238138541 /nfs/dbraw/zinc/13/85/41/238138541.db2.gz ODSVGXMXPVPIPP-UHFFFAOYSA-N 2 2 305.466 3.192 20 0 DGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000434766216 238243027 /nfs/dbraw/zinc/24/30/27/238243027.db2.gz NFAHLJNAUMMODQ-VQIMIIECSA-N 2 2 316.489 3.433 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000435369883 238297457 /nfs/dbraw/zinc/29/74/57/238297457.db2.gz GJZXSVVFEHHUGC-GOSISDBHSA-N 2 2 311.429 3.070 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000435369883 238297460 /nfs/dbraw/zinc/29/74/60/238297460.db2.gz GJZXSVVFEHHUGC-GOSISDBHSA-N 2 2 311.429 3.070 20 0 DGADLP O[C@@H](C[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271890943 209299832 /nfs/dbraw/zinc/29/98/32/209299832.db2.gz DSKDWNBGNGXPNI-SJORKVTESA-N 2 2 317.433 3.235 20 0 DGADLP O[C@@H](C[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1)c1ccco1 ZINC000271890943 209299835 /nfs/dbraw/zinc/29/98/35/209299835.db2.gz DSKDWNBGNGXPNI-SJORKVTESA-N 2 2 317.433 3.235 20 0 DGADLP c1c(CC[NH2+]CCCc2ccc3c(c2)CCO3)[nH+]c2ccccn12 ZINC000193308993 201026150 /nfs/dbraw/zinc/02/61/50/201026150.db2.gz QCPSROIPBQBLRH-UHFFFAOYSA-N 2 2 321.424 3.034 20 0 DGADLP C[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538861 201246299 /nfs/dbraw/zinc/24/62/99/201246299.db2.gz SUSPUSBLRBSKRR-AEGPPILISA-N 2 2 323.278 3.046 20 0 DGADLP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538861 201246303 /nfs/dbraw/zinc/24/63/03/201246303.db2.gz SUSPUSBLRBSKRR-AEGPPILISA-N 2 2 323.278 3.046 20 0 DGADLP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538861 201246306 /nfs/dbraw/zinc/24/63/06/201246306.db2.gz SUSPUSBLRBSKRR-AEGPPILISA-N 2 2 323.278 3.046 20 0 DGADLP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cccc(Br)c1 ZINC000194538861 201246309 /nfs/dbraw/zinc/24/63/09/201246309.db2.gz SUSPUSBLRBSKRR-AEGPPILISA-N 2 2 323.278 3.046 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000246128637 432098806 /nfs/dbraw/zinc/09/88/06/432098806.db2.gz OTZOCVYIUKVBSG-KBAYOESNSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000246128637 432098810 /nfs/dbraw/zinc/09/88/10/432098810.db2.gz OTZOCVYIUKVBSG-KBAYOESNSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766006 239119621 /nfs/dbraw/zinc/11/96/21/239119621.db2.gz VVSTUVPIVMOGBZ-NWDGAFQWSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766006 239119625 /nfs/dbraw/zinc/11/96/25/239119625.db2.gz VVSTUVPIVMOGBZ-NWDGAFQWSA-N 2 2 305.422 3.118 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442791457 239126111 /nfs/dbraw/zinc/12/61/11/239126111.db2.gz LKCIXUDTVCHGQV-UHFFFAOYSA-N 2 2 318.452 3.289 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(O)c1 ZINC000195025230 201328093 /nfs/dbraw/zinc/32/80/93/201328093.db2.gz PFPGKXGRKUZGBG-LBPRGKRZSA-N 2 2 316.367 3.460 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000281582223 216398464 /nfs/dbraw/zinc/39/84/64/216398464.db2.gz LCRIVQLHDCMMKZ-VXIBKDFQSA-N 2 2 313.489 3.489 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)CCn1cccn1)[NH+](C)C ZINC000443214445 239183051 /nfs/dbraw/zinc/18/30/51/239183051.db2.gz KWOXVNWLVNNVTO-SCTDSRPQSA-N 2 2 314.477 3.251 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000281582223 216398460 /nfs/dbraw/zinc/39/84/60/216398460.db2.gz LCRIVQLHDCMMKZ-VXIBKDFQSA-N 2 2 313.489 3.489 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443987798 239245783 /nfs/dbraw/zinc/24/57/83/239245783.db2.gz KKBGRNGZIWXONL-VHSXEESVSA-N 2 2 307.385 3.124 20 0 DGADLP C[C@H](CCO)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000271823037 209246009 /nfs/dbraw/zinc/24/60/09/209246009.db2.gz NGEGTBLADDKPSS-MRXNPFEDSA-N 2 2 313.445 3.151 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107528 240019833 /nfs/dbraw/zinc/01/98/33/240019833.db2.gz QEOJEBSYQUHWMI-RISCZKNCSA-N 2 2 312.379 3.413 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449107528 240019837 /nfs/dbraw/zinc/01/98/37/240019837.db2.gz QEOJEBSYQUHWMI-RISCZKNCSA-N 2 2 312.379 3.413 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000449207938 240067932 /nfs/dbraw/zinc/06/79/32/240067932.db2.gz OMIZPGOSORJOAO-BPQIPLTHSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000449207938 240067936 /nfs/dbraw/zinc/06/79/36/240067936.db2.gz OMIZPGOSORJOAO-BPQIPLTHSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCOC1 ZINC000449350924 240149325 /nfs/dbraw/zinc/14/93/25/240149325.db2.gz MBRVQCGULLWFIX-KGLIPLIRSA-N 2 2 319.836 3.430 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000449384318 240169352 /nfs/dbraw/zinc/16/93/52/240169352.db2.gz AWWKIBSVACXNEH-VJFUWPCTSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000449384318 240169356 /nfs/dbraw/zinc/16/93/56/240169356.db2.gz AWWKIBSVACXNEH-VJFUWPCTSA-N 2 2 322.880 3.022 20 0 DGADLP COCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000449328603 240133399 /nfs/dbraw/zinc/13/33/99/240133399.db2.gz JVZHFDASJLOPAI-WQUXRXDGSA-N 2 2 316.489 3.444 20 0 DGADLP COCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000449328603 240133407 /nfs/dbraw/zinc/13/34/07/240133407.db2.gz JVZHFDASJLOPAI-WQUXRXDGSA-N 2 2 316.489 3.444 20 0 DGADLP CCO[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1C ZINC000449496442 240245569 /nfs/dbraw/zinc/24/55/69/240245569.db2.gz JBZLTNZXUHGWTJ-XJKSGUPXSA-N 2 2 305.447 3.181 20 0 DGADLP CCO[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1C ZINC000449496442 240245574 /nfs/dbraw/zinc/24/55/74/240245574.db2.gz JBZLTNZXUHGWTJ-XJKSGUPXSA-N 2 2 305.447 3.181 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449469652 240226488 /nfs/dbraw/zinc/22/64/88/240226488.db2.gz UXSNGCFILUDSPY-DOTOQJQBSA-N 2 2 315.486 3.419 20 0 DGADLP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449469652 240226496 /nfs/dbraw/zinc/22/64/96/240226496.db2.gz UXSNGCFILUDSPY-DOTOQJQBSA-N 2 2 315.486 3.419 20 0 DGADLP Cc1csc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000449475946 240231196 /nfs/dbraw/zinc/23/11/96/240231196.db2.gz FZGVUTLVWXBBNS-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000449480675 240233953 /nfs/dbraw/zinc/23/39/53/240233953.db2.gz PBFKDHZDDBOTTA-XUWXXGDYSA-N 2 2 322.880 3.142 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000449480675 240233959 /nfs/dbraw/zinc/23/39/59/240233959.db2.gz PBFKDHZDDBOTTA-XUWXXGDYSA-N 2 2 322.880 3.142 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000449484167 240236134 /nfs/dbraw/zinc/23/61/34/240236134.db2.gz LJSZKNIFHFWLBI-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000449484167 240236138 /nfs/dbraw/zinc/23/61/38/240236138.db2.gz LJSZKNIFHFWLBI-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000449484076 240236761 /nfs/dbraw/zinc/23/67/61/240236761.db2.gz LJSZKNIFHFWLBI-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449484076 240236767 /nfs/dbraw/zinc/23/67/67/240236767.db2.gz LJSZKNIFHFWLBI-GHTZIAJQSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c[nH+]c12 ZINC000449510723 240258939 /nfs/dbraw/zinc/25/89/39/240258939.db2.gz LVYNUUUONHFCTH-SJORKVTESA-N 2 2 303.450 3.021 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000171131927 432106455 /nfs/dbraw/zinc/10/64/55/432106455.db2.gz KUSYCKFAXQZMRN-CYBMUJFWSA-N 2 2 303.406 3.448 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000091587612 193076405 /nfs/dbraw/zinc/07/64/05/193076405.db2.gz ZMQCBGKOJNUNBD-LSDHHAIUSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000091587612 193076407 /nfs/dbraw/zinc/07/64/07/193076407.db2.gz ZMQCBGKOJNUNBD-LSDHHAIUSA-N 2 2 322.449 3.099 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000091726960 193098126 /nfs/dbraw/zinc/09/81/26/193098126.db2.gz VJXFLVPZVHZJQJ-SJLPKXTDSA-N 2 2 320.477 3.013 20 0 DGADLP C[C@H]1Cc2[nH+]cn(Cc3ccc(-n4cc[nH+]c4)cc3)c2C[C@@H]1C ZINC000451347658 241090756 /nfs/dbraw/zinc/09/07/56/241090756.db2.gz WHHVFVKHTHXNEW-GJZGRUSLSA-N 2 2 306.413 3.488 20 0 DGADLP C[NH+](C)CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089693635 283958241 /nfs/dbraw/zinc/95/82/41/283958241.db2.gz KVKYCYBQKSZXNE-ZDUSSCGKSA-N 2 2 315.230 3.117 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000455488195 242215105 /nfs/dbraw/zinc/21/51/05/242215105.db2.gz UHKNDAQCKQVNMD-HUUCEWRRSA-N 2 2 318.465 3.391 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000455488195 242215110 /nfs/dbraw/zinc/21/51/10/242215110.db2.gz UHKNDAQCKQVNMD-HUUCEWRRSA-N 2 2 318.465 3.391 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564125 284013317 /nfs/dbraw/zinc/01/33/17/284013317.db2.gz PHUJYYNNRDGQSC-OAHLLOKOSA-N 2 2 305.491 3.471 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564125 284013319 /nfs/dbraw/zinc/01/33/19/284013319.db2.gz PHUJYYNNRDGQSC-OAHLLOKOSA-N 2 2 305.491 3.471 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468431760 244040852 /nfs/dbraw/zinc/04/08/52/244040852.db2.gz ZIBXEJVFNOQBRX-LCLWPZTBSA-N 2 2 318.505 3.284 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468431760 244040858 /nfs/dbraw/zinc/04/08/58/244040858.db2.gz ZIBXEJVFNOQBRX-LCLWPZTBSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@H](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000468510685 244048605 /nfs/dbraw/zinc/04/86/05/244048605.db2.gz HKBRYQGOGIAHSG-JYBIWHBTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000468510685 244048610 /nfs/dbraw/zinc/04/86/10/244048610.db2.gz HKBRYQGOGIAHSG-JYBIWHBTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874473 296135371 /nfs/dbraw/zinc/13/53/71/296135371.db2.gz DASOZPGIIAUGDR-HLIPFELVSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422874473 296135373 /nfs/dbraw/zinc/13/53/73/296135373.db2.gz DASOZPGIIAUGDR-HLIPFELVSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882940 296135712 /nfs/dbraw/zinc/13/57/12/296135712.db2.gz PPTOKNPDUBRFJK-QKLQHJQFSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882940 296135714 /nfs/dbraw/zinc/13/57/14/296135714.db2.gz PPTOKNPDUBRFJK-QKLQHJQFSA-N 3 2 315.505 3.149 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC000275106155 212123240 /nfs/dbraw/zinc/12/32/40/212123240.db2.gz FCDWMMHJYHVFSY-INIZCTEOSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC000275106155 212123242 /nfs/dbraw/zinc/12/32/42/212123242.db2.gz FCDWMMHJYHVFSY-INIZCTEOSA-N 2 2 305.441 3.165 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000470010164 244139737 /nfs/dbraw/zinc/13/97/37/244139737.db2.gz UXHKCJPMEYMBBR-AWEZNQCLSA-N 2 2 312.404 3.336 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000470010164 244139744 /nfs/dbraw/zinc/13/97/44/244139744.db2.gz UXHKCJPMEYMBBR-AWEZNQCLSA-N 2 2 312.404 3.336 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029910 212083334 /nfs/dbraw/zinc/08/33/34/212083334.db2.gz BUJPJVCERCFQLC-DNVCBOLYSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029910 212083337 /nfs/dbraw/zinc/08/33/37/212083337.db2.gz BUJPJVCERCFQLC-DNVCBOLYSA-N 2 2 313.420 3.221 20 0 DGADLP [NH3+]CC1(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCCCC1 ZINC000262624737 203355164 /nfs/dbraw/zinc/35/51/64/203355164.db2.gz DFJIKWNIPHVLCY-UHFFFAOYSA-N 2 2 312.417 3.315 20 0 DGADLP Cc1n[nH]cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318658 193232302 /nfs/dbraw/zinc/23/23/02/193232302.db2.gz LFZOMICZQTUDST-BEFAXECRSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1n[nH]cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318658 193232304 /nfs/dbraw/zinc/23/23/04/193232304.db2.gz LFZOMICZQTUDST-BEFAXECRSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1n[nH]cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318658 193232306 /nfs/dbraw/zinc/23/23/06/193232306.db2.gz LFZOMICZQTUDST-BEFAXECRSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1n[nH]cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318658 193232308 /nfs/dbraw/zinc/23/23/08/193232308.db2.gz LFZOMICZQTUDST-BEFAXECRSA-N 2 2 312.461 3.203 20 0 DGADLP c1nc(C2CCC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604532 193272417 /nfs/dbraw/zinc/27/24/17/193272417.db2.gz SKDPLLJTIGYZMB-AWEZNQCLSA-N 2 2 305.491 3.328 20 0 DGADLP c1nc(C2CCC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604532 193272418 /nfs/dbraw/zinc/27/24/18/193272418.db2.gz SKDPLLJTIGYZMB-AWEZNQCLSA-N 2 2 305.491 3.328 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)s1 ZINC000093692702 193290346 /nfs/dbraw/zinc/29/03/46/193290346.db2.gz SQFMKWBLMBJQFL-HNNXBMFYSA-N 2 2 324.538 3.153 20 0 DGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)s1 ZINC000093692702 193290349 /nfs/dbraw/zinc/29/03/49/193290349.db2.gz SQFMKWBLMBJQFL-HNNXBMFYSA-N 2 2 324.538 3.153 20 0 DGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000480222762 244701832 /nfs/dbraw/zinc/70/18/32/244701832.db2.gz BZLXRKHMGCNWKG-HXUWFJFHSA-N 2 2 315.505 3.285 20 0 DGADLP CCOc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000487270118 245043662 /nfs/dbraw/zinc/04/36/62/245043662.db2.gz FSFKUOXLOXVFCB-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000487337439 245051430 /nfs/dbraw/zinc/05/14/30/245051430.db2.gz UMSXEGUTXMRLIJ-IFKDRHBRSA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487337439 245051433 /nfs/dbraw/zinc/05/14/33/245051433.db2.gz UMSXEGUTXMRLIJ-IFKDRHBRSA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccsc1Br ZINC000282444757 217000263 /nfs/dbraw/zinc/00/02/63/217000263.db2.gz NJWWOYVRPXLCEX-SCVCMEIPSA-N 2 2 317.296 3.329 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccsc1Br ZINC000282444757 217000266 /nfs/dbraw/zinc/00/02/66/217000266.db2.gz NJWWOYVRPXLCEX-SCVCMEIPSA-N 2 2 317.296 3.329 20 0 DGADLP Clc1c[nH+]ccc1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000487787750 245106500 /nfs/dbraw/zinc/10/65/00/245106500.db2.gz QWTFYFFZHUJGRL-KRWDZBQOSA-N 2 2 301.821 3.406 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000488133280 245151643 /nfs/dbraw/zinc/15/16/43/245151643.db2.gz XCDIYNVQQLJPIQ-UHFFFAOYSA-N 2 2 310.445 3.010 20 0 DGADLP COc1ccc2oc(C[NH2+]CCc3cn4ccccc4[nH+]3)cc2c1 ZINC000123101710 284232087 /nfs/dbraw/zinc/23/20/87/284232087.db2.gz POKPVQHPOFEFGX-UHFFFAOYSA-N 2 2 321.380 3.421 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488345710 245178474 /nfs/dbraw/zinc/17/84/74/245178474.db2.gz JZQVGHFOQPEBNH-QGZVFWFLSA-N 2 2 312.392 3.477 20 0 DGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000488345710 245178478 /nfs/dbraw/zinc/17/84/78/245178478.db2.gz JZQVGHFOQPEBNH-QGZVFWFLSA-N 2 2 312.392 3.477 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246357487 432123255 /nfs/dbraw/zinc/12/32/55/432123255.db2.gz KNEQWARSTZZKLW-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246357487 432123259 /nfs/dbraw/zinc/12/32/59/432123259.db2.gz KNEQWARSTZZKLW-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246357487 432123262 /nfs/dbraw/zinc/12/32/62/432123262.db2.gz KNEQWARSTZZKLW-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246357487 432123264 /nfs/dbraw/zinc/12/32/64/432123264.db2.gz KNEQWARSTZZKLW-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc2c1OCC2 ZINC000264597662 204018663 /nfs/dbraw/zinc/01/86/63/204018663.db2.gz CHHIRWOIBHYRRO-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000125524314 284278053 /nfs/dbraw/zinc/27/80/53/284278053.db2.gz HHFWFDUKMVKTOD-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP C[NH+](C)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000125534993 284278258 /nfs/dbraw/zinc/27/82/58/284278258.db2.gz QJARBPCBRYFGDE-MOPGFXCFSA-N 2 2 320.440 3.392 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000282469919 217019294 /nfs/dbraw/zinc/01/92/94/217019294.db2.gz PGWJVRLMVLBOAG-ZYHUDNBSSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccsc2Br)[C@H](C)C1 ZINC000282469919 217019295 /nfs/dbraw/zinc/01/92/95/217019295.db2.gz PGWJVRLMVLBOAG-ZYHUDNBSSA-N 2 2 317.296 3.331 20 0 DGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1OCCc2ccccc21 ZINC000271701434 209138596 /nfs/dbraw/zinc/13/85/96/209138596.db2.gz CTZYRKJKJVVIPJ-SFHVURJKSA-N 2 2 307.397 3.080 20 0 DGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1OCCc2ccccc21 ZINC000271701434 209138597 /nfs/dbraw/zinc/13/85/97/209138597.db2.gz CTZYRKJKJVVIPJ-SFHVURJKSA-N 2 2 307.397 3.080 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282759558 217229173 /nfs/dbraw/zinc/22/91/73/217229173.db2.gz IBIRMICUPRJZOB-UHFFFAOYSA-N 2 2 318.490 3.111 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000266435823 205344772 /nfs/dbraw/zinc/34/47/72/205344772.db2.gz VFAXTQBKDLWUPP-CQSZACIVSA-N 2 2 302.447 3.171 20 0 DGADLP Cc1nc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000266435823 205344776 /nfs/dbraw/zinc/34/47/76/205344776.db2.gz VFAXTQBKDLWUPP-CQSZACIVSA-N 2 2 302.447 3.171 20 0 DGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000129265191 284403776 /nfs/dbraw/zinc/40/37/76/284403776.db2.gz QPTWZDLOLVOETQ-STQMWFEESA-N 2 2 315.383 3.473 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@H](C)C2 ZINC000493054938 245872067 /nfs/dbraw/zinc/87/20/67/245872067.db2.gz IQZOELPECFNJLI-ZTFGCOKTSA-N 2 2 304.503 3.255 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@H]3CCc4ccccc4OC3)c2)c[nH+]1 ZINC000493896253 246093264 /nfs/dbraw/zinc/09/32/64/246093264.db2.gz FBSUUXDPACBMPV-SFHVURJKSA-N 2 2 319.408 3.356 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2CCc3ccccc3OC2)[nH+]c1 ZINC000493944221 246098596 /nfs/dbraw/zinc/09/85/96/246098596.db2.gz HRTKKSTYCGTDRF-KRWDZBQOSA-N 2 2 311.429 3.257 20 0 DGADLP Fc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494422597 246146608 /nfs/dbraw/zinc/14/66/08/246146608.db2.gz CCOUIUXSDKAPCB-HNNXBMFYSA-N 2 2 311.360 3.387 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000494322614 246135020 /nfs/dbraw/zinc/13/50/20/246135020.db2.gz KLRZUIRWXOFECV-LJQANCHMSA-N 2 2 318.505 3.332 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000494322614 246135025 /nfs/dbraw/zinc/13/50/25/246135025.db2.gz KLRZUIRWXOFECV-LJQANCHMSA-N 2 2 318.505 3.332 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494390366 246142141 /nfs/dbraw/zinc/14/21/41/246142141.db2.gz GJIBGTWMQXZDDY-CQSZACIVSA-N 2 2 320.234 3.059 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000494977800 246218881 /nfs/dbraw/zinc/21/88/81/246218881.db2.gz SACCGPPEXCPTQF-DOTOQJQBSA-N 2 2 319.497 3.280 20 0 DGADLP CC[NH+]1CCC(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000495062796 246227337 /nfs/dbraw/zinc/22/73/37/246227337.db2.gz AYQAISFVOUYVAV-QGZVFWFLSA-N 2 2 319.497 3.138 20 0 DGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)ccc2c1 ZINC000495126497 246237914 /nfs/dbraw/zinc/23/79/14/246237914.db2.gz HWHKKYDTXWOUBQ-OXJNMPFZSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)ccc2c1 ZINC000495126497 246237917 /nfs/dbraw/zinc/23/79/17/246237917.db2.gz HWHKKYDTXWOUBQ-OXJNMPFZSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)ccc2c1 ZINC000495126497 246237920 /nfs/dbraw/zinc/23/79/20/246237920.db2.gz HWHKKYDTXWOUBQ-OXJNMPFZSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)ccc2c1 ZINC000495126497 246237925 /nfs/dbraw/zinc/23/79/25/246237925.db2.gz HWHKKYDTXWOUBQ-OXJNMPFZSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183358 246245105 /nfs/dbraw/zinc/24/51/05/246245105.db2.gz KIBJNYVEFLUKEF-HZPDHXFCSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183358 246245108 /nfs/dbraw/zinc/24/51/08/246245108.db2.gz KIBJNYVEFLUKEF-HZPDHXFCSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183358 246245111 /nfs/dbraw/zinc/24/51/11/246245111.db2.gz KIBJNYVEFLUKEF-HZPDHXFCSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc(C)c1OC(F)F ZINC000495183358 246245113 /nfs/dbraw/zinc/24/51/13/246245113.db2.gz KIBJNYVEFLUKEF-HZPDHXFCSA-N 2 2 324.415 3.431 20 0 DGADLP Cc1[nH+]cc(CNc2ccc(N(C)C)c[nH+]2)n1-c1ccccc1 ZINC000150895479 284540378 /nfs/dbraw/zinc/54/03/78/284540378.db2.gz UWDYXTNWSHVNBJ-UHFFFAOYSA-N 2 2 307.401 3.254 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268808813 432139340 /nfs/dbraw/zinc/13/93/40/432139340.db2.gz DIDPZKDEGLLHFQ-OAHLLOKOSA-N 2 2 316.445 3.239 20 0 DGADLP CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268911016 432146784 /nfs/dbraw/zinc/14/67/84/432146784.db2.gz MVOSOZFDJLBFAM-KDOFPFPSSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(Br)c1 ZINC000041119699 183166867 /nfs/dbraw/zinc/16/68/67/183166867.db2.gz HNDGDDSBUAJTKL-SNVBAGLBSA-N 2 2 312.186 3.136 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1F ZINC000042427242 183269134 /nfs/dbraw/zinc/26/91/34/183269134.db2.gz ACDKJJFUUYAYGY-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1F ZINC000042427242 183269136 /nfs/dbraw/zinc/26/91/36/183269136.db2.gz ACDKJJFUUYAYGY-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP CCC[N@H+](Cc1sccc1Br)C1CC[NH2+]CC1 ZINC000043676953 183379609 /nfs/dbraw/zinc/37/96/09/183379609.db2.gz NBHQCIDYWWGJJG-UHFFFAOYSA-N 2 2 317.296 3.475 20 0 DGADLP CCC[N@@H+](Cc1sccc1Br)C1CC[NH2+]CC1 ZINC000043676953 183379610 /nfs/dbraw/zinc/37/96/10/183379610.db2.gz NBHQCIDYWWGJJG-UHFFFAOYSA-N 2 2 317.296 3.475 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000274172104 211398997 /nfs/dbraw/zinc/39/89/97/211398997.db2.gz BUHBRHMQEBBWML-SFHVURJKSA-N 2 2 318.461 3.145 20 0 DGADLP CC(C)c1nc(NCc2cccc(Cn3cc[nH+]c3)c2)cc[nH+]1 ZINC000106464233 194219205 /nfs/dbraw/zinc/21/92/05/194219205.db2.gz FSTVCIBDERZCOU-UHFFFAOYSA-N 2 2 307.401 3.457 20 0 DGADLP COCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000449739876 284821119 /nfs/dbraw/zinc/82/11/19/284821119.db2.gz CSQJPPQXGAWGIT-UHFFFAOYSA-N 2 2 322.415 3.200 20 0 DGADLP CC(C)(C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268840618 207005400 /nfs/dbraw/zinc/00/54/00/207005400.db2.gz ADENTPGWCUCJAR-KRWDZBQOSA-N 2 2 324.896 3.301 20 0 DGADLP CCCCC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000268950730 207115001 /nfs/dbraw/zinc/11/50/01/207115001.db2.gz VCQDLSVOMQVBJF-OALUTQOASA-N 2 2 303.494 3.143 20 0 DGADLP CCCCC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccccc1 ZINC000268950730 207115007 /nfs/dbraw/zinc/11/50/07/207115007.db2.gz VCQDLSVOMQVBJF-OALUTQOASA-N 2 2 303.494 3.143 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984108 207142030 /nfs/dbraw/zinc/14/20/30/207142030.db2.gz DQQPGHMWTCXLKQ-DNVCBOLYSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984108 207142035 /nfs/dbraw/zinc/14/20/35/207142035.db2.gz DQQPGHMWTCXLKQ-DNVCBOLYSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H](C[NH2+]Cc1ccccc1Br)C[NH+]1CCCC1 ZINC000057994082 184065349 /nfs/dbraw/zinc/06/53/49/184065349.db2.gz SVQBEABVKRBNOJ-CYBMUJFWSA-N 2 2 311.267 3.271 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000268987583 207144812 /nfs/dbraw/zinc/14/48/12/207144812.db2.gz FMTDMCOZVXLAGS-JQFCIGGWSA-N 2 2 318.461 3.227 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000268987583 207144816 /nfs/dbraw/zinc/14/48/16/207144816.db2.gz FMTDMCOZVXLAGS-JQFCIGGWSA-N 2 2 318.461 3.227 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000268998248 207154541 /nfs/dbraw/zinc/15/45/41/207154541.db2.gz KYQNMLATVSVFGH-GHMZBOCLSA-N 2 2 304.356 3.418 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014063 207165753 /nfs/dbraw/zinc/16/57/53/207165753.db2.gz XYWAHGCSSWPADN-DOXZYTNZSA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014063 207165758 /nfs/dbraw/zinc/16/57/58/207165758.db2.gz XYWAHGCSSWPADN-DOXZYTNZSA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269049816 207198530 /nfs/dbraw/zinc/19/85/30/207198530.db2.gz ZHCXJHGHBSFRJF-WMQCIHAUSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269049816 207198533 /nfs/dbraw/zinc/19/85/33/207198533.db2.gz ZHCXJHGHBSFRJF-WMQCIHAUSA-N 2 2 324.468 3.363 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)CC(=O)NC)[NH2+][C@H](C)c1ccccc1 ZINC000269043260 207191004 /nfs/dbraw/zinc/19/10/04/207191004.db2.gz WBCJQBVCGKXNRU-HZPDHXFCSA-N 2 2 319.493 3.010 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061981483 184200101 /nfs/dbraw/zinc/20/01/01/184200101.db2.gz MTHLUBQVNHDFNM-DOMZBBRYSA-N 2 2 323.278 3.206 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061981483 184200102 /nfs/dbraw/zinc/20/01/02/184200102.db2.gz MTHLUBQVNHDFNM-DOMZBBRYSA-N 2 2 323.278 3.206 20 0 DGADLP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000269152188 207278110 /nfs/dbraw/zinc/27/81/10/207278110.db2.gz PKCYAIXYOXVSAZ-UHFFFAOYSA-N 2 2 312.417 3.148 20 0 DGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1 ZINC000269152188 207278113 /nfs/dbraw/zinc/27/81/13/207278113.db2.gz PKCYAIXYOXVSAZ-UHFFFAOYSA-N 2 2 312.417 3.148 20 0 DGADLP Cc1ccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c(C)[nH+]1 ZINC000269247756 207383238 /nfs/dbraw/zinc/38/32/38/207383238.db2.gz MVRODTCTHKGUAZ-UHFFFAOYSA-N 2 2 322.412 3.254 20 0 DGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430601532 532982711 /nfs/dbraw/zinc/98/27/11/532982711.db2.gz ZVUFWLDINVMGPN-BBRMVZONSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430601532 532982712 /nfs/dbraw/zinc/98/27/12/532982712.db2.gz ZVUFWLDINVMGPN-BBRMVZONSA-N 2 2 323.506 3.041 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119688056 195016720 /nfs/dbraw/zinc/01/67/20/195016720.db2.gz COBUUABFMBPYIT-HNNXBMFYSA-N 3 2 324.472 3.458 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C(C)C)C3CCC3)c2cc1C ZINC000119787973 195037101 /nfs/dbraw/zinc/03/71/01/195037101.db2.gz ZOLGHJUYVSVMFK-KRWDZBQOSA-N 2 2 315.461 3.277 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C(C)C)C3CCC3)c2cc1C ZINC000119787973 195037103 /nfs/dbraw/zinc/03/71/03/195037103.db2.gz ZOLGHJUYVSVMFK-KRWDZBQOSA-N 2 2 315.461 3.277 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695068 533004940 /nfs/dbraw/zinc/00/49/40/533004940.db2.gz DCDAYTBUISPAIM-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309695068 533004945 /nfs/dbraw/zinc/00/49/45/533004945.db2.gz DCDAYTBUISPAIM-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc[nH+]1 ZINC000119836475 195046671 /nfs/dbraw/zinc/04/66/71/195046671.db2.gz QVJCGDQSOQDAOP-UHFFFAOYSA-N 2 2 318.446 3.047 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249026331 285047390 /nfs/dbraw/zinc/04/73/90/285047390.db2.gz ALNFAFHMVUIRCB-JENIJYKNSA-N 2 2 306.494 3.164 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249026331 285047396 /nfs/dbraw/zinc/04/73/96/285047396.db2.gz ALNFAFHMVUIRCB-JENIJYKNSA-N 2 2 306.494 3.164 20 0 DGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427866480 291834783 /nfs/dbraw/zinc/83/47/83/291834783.db2.gz LCYGYNHWTXKJQZ-WBVHZDCISA-N 2 2 311.429 3.318 20 0 DGADLP CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286104663 218794398 /nfs/dbraw/zinc/79/43/98/218794398.db2.gz LEYCWERNSDFVJI-CABCVRRESA-N 2 2 302.447 3.031 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(c3ccccc3)CC2)n1C ZINC000336866102 253013556 /nfs/dbraw/zinc/01/35/56/253013556.db2.gz HKOSGWXUOATRQA-UHFFFAOYSA-N 2 2 312.461 3.302 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000336853831 253007570 /nfs/dbraw/zinc/00/75/70/253007570.db2.gz KKUHIKUCYKAIDD-CQSZACIVSA-N 2 2 322.840 3.195 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000336853831 253007572 /nfs/dbraw/zinc/00/75/72/253007572.db2.gz KKUHIKUCYKAIDD-CQSZACIVSA-N 2 2 322.840 3.195 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1 ZINC000336852308 253008035 /nfs/dbraw/zinc/00/80/35/253008035.db2.gz NUSGLILDTABMMQ-MRXNPFEDSA-N 2 2 304.413 3.112 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnn(C)c1C ZINC000270093828 208153674 /nfs/dbraw/zinc/15/36/74/208153674.db2.gz AWBZYZCYXNSLGY-QGZVFWFLSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnn(C)c1C ZINC000270093828 208153683 /nfs/dbraw/zinc/15/36/83/208153683.db2.gz AWBZYZCYXNSLGY-QGZVFWFLSA-N 2 2 323.444 3.051 20 0 DGADLP CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CCC1 ZINC000336871575 253015684 /nfs/dbraw/zinc/01/56/84/253015684.db2.gz GXJDHRKXFAOQCT-KRWDZBQOSA-N 2 2 315.461 3.136 20 0 DGADLP CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC1CCC1 ZINC000336871575 253015686 /nfs/dbraw/zinc/01/56/86/253015686.db2.gz GXJDHRKXFAOQCT-KRWDZBQOSA-N 2 2 315.461 3.136 20 0 DGADLP CCC1(CC)C[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336876955 253017841 /nfs/dbraw/zinc/01/78/41/253017841.db2.gz WNDNNESNPVTAOB-MRXNPFEDSA-N 2 2 315.461 3.136 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000249583467 285081787 /nfs/dbraw/zinc/08/17/87/285081787.db2.gz NVFPUFCJDJQKMW-HZPDHXFCSA-N 2 2 322.518 3.416 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000249583467 285081791 /nfs/dbraw/zinc/08/17/91/285081791.db2.gz NVFPUFCJDJQKMW-HZPDHXFCSA-N 2 2 322.518 3.416 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc2c1OCC2 ZINC000337221061 253064783 /nfs/dbraw/zinc/06/47/83/253064783.db2.gz DQKGISADCXSVHG-UHFFFAOYSA-N 2 2 308.853 3.193 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc2c1OCC2 ZINC000337221061 253064785 /nfs/dbraw/zinc/06/47/85/253064785.db2.gz DQKGISADCXSVHG-UHFFFAOYSA-N 2 2 308.853 3.193 20 0 DGADLP FC(F)O[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000337311891 253083805 /nfs/dbraw/zinc/08/38/05/253083805.db2.gz VLJHCTBJFJWILD-STQMWFEESA-N 2 2 313.373 3.184 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOCC(C)C ZINC000337318700 253085251 /nfs/dbraw/zinc/08/52/51/253085251.db2.gz MVWKRSNFRVOSNE-QGZVFWFLSA-N 2 2 315.461 3.482 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOCC(C)C ZINC000337318700 253085255 /nfs/dbraw/zinc/08/52/55/253085255.db2.gz MVWKRSNFRVOSNE-QGZVFWFLSA-N 2 2 315.461 3.482 20 0 DGADLP FC(F)O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337322785 253087112 /nfs/dbraw/zinc/08/71/12/253087112.db2.gz ZZNWRRGMKSSEST-HUUCEWRRSA-N 2 2 307.344 3.122 20 0 DGADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000337324191 253087350 /nfs/dbraw/zinc/08/73/50/253087350.db2.gz AYTNUAHBMRGCFG-KRWDZBQOSA-N 2 2 313.445 3.430 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1OC ZINC000337363284 253097699 /nfs/dbraw/zinc/09/76/99/253097699.db2.gz AFYOIRWVPDZQGS-ZMSDIMECSA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1OC ZINC000337363284 253097701 /nfs/dbraw/zinc/09/77/01/253097701.db2.gz AFYOIRWVPDZQGS-ZMSDIMECSA-N 2 2 320.477 3.016 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000337383638 253102387 /nfs/dbraw/zinc/10/23/87/253102387.db2.gz KCRZAHIRAKNGOF-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000337383638 253102389 /nfs/dbraw/zinc/10/23/89/253102389.db2.gz KCRZAHIRAKNGOF-PKOBYXMFSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCC1 ZINC000337383636 253102568 /nfs/dbraw/zinc/10/25/68/253102568.db2.gz KCRZAHIRAKNGOF-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP COCC1(C[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000337383636 253102571 /nfs/dbraw/zinc/10/25/71/253102571.db2.gz KCRZAHIRAKNGOF-IEBWSBKVSA-N 2 2 316.489 3.303 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1OC ZINC000337391923 253104842 /nfs/dbraw/zinc/10/48/42/253104842.db2.gz LJZGVJNJFLUZCZ-INIZCTEOSA-N 2 2 320.477 3.019 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn1C ZINC000337416913 253111743 /nfs/dbraw/zinc/11/17/43/253111743.db2.gz PQVRDIGJRFCFSQ-OAHLLOKOSA-N 2 2 304.482 3.176 20 0 DGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1OC ZINC000337455310 253119045 /nfs/dbraw/zinc/11/90/45/253119045.db2.gz JBDBPXZVSYHBCK-OAHLLOKOSA-N 2 2 320.477 3.017 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166744 195111286 /nfs/dbraw/zinc/11/12/86/195111286.db2.gz OQSPCCZQMSPKDF-CVEARBPZSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(OC)c(OC)c1 ZINC000120166744 195111291 /nfs/dbraw/zinc/11/12/91/195111291.db2.gz OQSPCCZQMSPKDF-CVEARBPZSA-N 2 2 306.450 3.229 20 0 DGADLP COCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000338030157 253213600 /nfs/dbraw/zinc/21/36/00/253213600.db2.gz RKNHIWNQJQTIAG-SFHVURJKSA-N 2 2 319.493 3.087 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000442870431 533057996 /nfs/dbraw/zinc/05/79/96/533057996.db2.gz CUGLUHPSTGQNDS-HUUCEWRRSA-N 2 2 308.491 3.170 20 0 DGADLP COc1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000338272451 253254722 /nfs/dbraw/zinc/25/47/22/253254722.db2.gz CFOZZCNMCASDKV-UHFFFAOYSA-N 2 2 307.825 3.376 20 0 DGADLP COc1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000338272451 253254723 /nfs/dbraw/zinc/25/47/23/253254723.db2.gz CFOZZCNMCASDKV-UHFFFAOYSA-N 2 2 307.825 3.376 20 0 DGADLP Cc1cccn2c(C[NH2+]CCC3C[C@H](C)O[C@@H](C)C3)c[nH+]c12 ZINC000338481019 253295015 /nfs/dbraw/zinc/29/50/15/253295015.db2.gz PITNUEZKMJSIBJ-GJZGRUSLSA-N 2 2 301.434 3.326 20 0 DGADLP CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCC[NH2+]CC1 ZINC000435393414 285128964 /nfs/dbraw/zinc/12/89/64/285128964.db2.gz ZMHZCDBGAJADHT-ZIAGYGMSSA-N 2 2 307.507 3.232 20 0 DGADLP CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCC[NH2+]CC1 ZINC000435393414 285128966 /nfs/dbraw/zinc/12/89/66/285128966.db2.gz ZMHZCDBGAJADHT-ZIAGYGMSSA-N 2 2 307.507 3.232 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000272907370 210295492 /nfs/dbraw/zinc/29/54/92/210295492.db2.gz KXZSKPHNSSIGCN-YOEHRIQHSA-N 2 2 308.491 3.092 20 0 DGADLP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000342546354 254005096 /nfs/dbraw/zinc/00/50/96/254005096.db2.gz NSWGTOBAZZAQBG-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000342546354 254005099 /nfs/dbraw/zinc/00/50/99/254005099.db2.gz NSWGTOBAZZAQBG-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP C[NH+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000342546354 254005101 /nfs/dbraw/zinc/00/51/01/254005101.db2.gz NSWGTOBAZZAQBG-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP C[NH+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000342546354 254005103 /nfs/dbraw/zinc/00/51/03/254005103.db2.gz NSWGTOBAZZAQBG-ZDUSSCGKSA-N 2 2 316.367 3.359 20 0 DGADLP COCC[N@H+](Cc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000342736502 254040162 /nfs/dbraw/zinc/04/01/62/254040162.db2.gz XKLQEMYDHGMEFL-UHFFFAOYSA-N 2 2 301.415 3.044 20 0 DGADLP COCC[N@@H+](Cc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000342736502 254040164 /nfs/dbraw/zinc/04/01/64/254040164.db2.gz XKLQEMYDHGMEFL-UHFFFAOYSA-N 2 2 301.415 3.044 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000342746738 254041853 /nfs/dbraw/zinc/04/18/53/254041853.db2.gz GXIXTTFRCNKRKZ-SWLSCSKDSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000342746738 254041855 /nfs/dbraw/zinc/04/18/55/254041855.db2.gz GXIXTTFRCNKRKZ-SWLSCSKDSA-N 2 2 302.447 3.300 20 0 DGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000342805254 254055343 /nfs/dbraw/zinc/05/53/43/254055343.db2.gz DUEGNSDSYXFKJK-KSSFIOAISA-N 2 2 322.518 3.419 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270619 254122565 /nfs/dbraw/zinc/12/25/65/254122565.db2.gz FJTJMDLVDQYASK-UAGQMJEPSA-N 2 2 309.523 3.061 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccsc1 ZINC000343270619 254122566 /nfs/dbraw/zinc/12/25/66/254122566.db2.gz FJTJMDLVDQYASK-UAGQMJEPSA-N 2 2 309.523 3.061 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1ccn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000343067743 254093677 /nfs/dbraw/zinc/09/36/77/254093677.db2.gz OEOAGZXSRPWQSB-HXUWFJFHSA-N 2 2 311.473 3.198 20 0 DGADLP CC(C)[C@@H](C[NH2+]Cc1ccn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000343067743 254093678 /nfs/dbraw/zinc/09/36/78/254093678.db2.gz OEOAGZXSRPWQSB-HXUWFJFHSA-N 2 2 311.473 3.198 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000343503746 254152768 /nfs/dbraw/zinc/15/27/68/254152768.db2.gz CKFJTOFMEKFHHA-UHFFFAOYSA-N 2 2 304.482 3.223 20 0 DGADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000343326356 254127686 /nfs/dbraw/zinc/12/76/86/254127686.db2.gz PZETZRVQVOEONU-SFHVURJKSA-N 2 2 310.376 3.187 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000343460234 254146979 /nfs/dbraw/zinc/14/69/79/254146979.db2.gz SPLUQIHXCUKVDJ-ZACQAIPSSA-N 2 2 310.445 3.217 20 0 DGADLP CN(CCC[N@H+](C)Cc1ccco1)c1[nH+]c2ccccc2n1C ZINC000343820251 254192633 /nfs/dbraw/zinc/19/26/33/254192633.db2.gz XTTABDLFVKZJKQ-UHFFFAOYSA-N 2 2 312.417 3.125 20 0 DGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1[nH+]c2ccccc2n1C ZINC000343820251 254192634 /nfs/dbraw/zinc/19/26/34/254192634.db2.gz XTTABDLFVKZJKQ-UHFFFAOYSA-N 2 2 312.417 3.125 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045661 254217927 /nfs/dbraw/zinc/21/79/27/254217927.db2.gz GAMQDKLCRXKPOW-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000344045661 254217929 /nfs/dbraw/zinc/21/79/29/254217929.db2.gz GAMQDKLCRXKPOW-MSOLQXFVSA-N 2 2 302.462 3.056 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)c2)c[nH+]1 ZINC000344090556 254223400 /nfs/dbraw/zinc/22/34/00/254223400.db2.gz CLKYXPUWUNNCFN-QRVBRYPASA-N 2 2 323.440 3.310 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)c[nH+]1 ZINC000344090551 254223608 /nfs/dbraw/zinc/22/36/08/254223608.db2.gz CLKYXPUWUNNCFN-GUDVDZBRSA-N 2 2 323.440 3.310 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@H]2CCCO[C@H]21 ZINC000344103967 254225688 /nfs/dbraw/zinc/22/56/88/254225688.db2.gz PCSJEIJPAMLLMX-KZNAEPCWSA-N 2 2 311.429 3.166 20 0 DGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344124973 254229270 /nfs/dbraw/zinc/22/92/70/254229270.db2.gz HSWHLAVSOHAJSG-IAGOWNOFSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000344635527 254291324 /nfs/dbraw/zinc/29/13/24/254291324.db2.gz UENHACDJHJQARL-DGCLKSJQSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000344635527 254291326 /nfs/dbraw/zinc/29/13/26/254291326.db2.gz UENHACDJHJQARL-DGCLKSJQSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000344664895 254294315 /nfs/dbraw/zinc/29/43/15/254294315.db2.gz IZHNEYSHMHERLQ-IEBWSBKVSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000344664895 254294316 /nfs/dbraw/zinc/29/43/16/254294316.db2.gz IZHNEYSHMHERLQ-IEBWSBKVSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000344664895 254294319 /nfs/dbraw/zinc/29/43/19/254294319.db2.gz IZHNEYSHMHERLQ-IEBWSBKVSA-N 3 2 317.521 3.217 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000427879479 533130987 /nfs/dbraw/zinc/13/09/87/533130987.db2.gz YAMYARDFERUEPL-GXTWGEPZSA-N 2 2 317.458 3.279 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)sc1Br ZINC000344690221 254295746 /nfs/dbraw/zinc/29/57/46/254295746.db2.gz WMGDYYLFPIPALC-QWRGUYRKSA-N 2 2 317.296 3.391 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Br ZINC000344690221 254295747 /nfs/dbraw/zinc/29/57/47/254295747.db2.gz WMGDYYLFPIPALC-QWRGUYRKSA-N 2 2 317.296 3.391 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000344769222 254303395 /nfs/dbraw/zinc/30/33/95/254303395.db2.gz JPUUKBJGQIDVFM-JKSUJKDBSA-N 2 2 322.449 3.056 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000255954468 285189311 /nfs/dbraw/zinc/18/93/11/285189311.db2.gz MMMJWLJSGUNUQO-HUUCEWRRSA-N 2 2 310.869 3.347 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000255954468 285189314 /nfs/dbraw/zinc/18/93/14/285189314.db2.gz MMMJWLJSGUNUQO-HUUCEWRRSA-N 2 2 310.869 3.347 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(Cl)o3)[nH+]c2)C1 ZINC000345025632 254323981 /nfs/dbraw/zinc/32/39/81/254323981.db2.gz WNOJLISAUUUUGY-ZDUSSCGKSA-N 2 2 320.824 3.080 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156553589 197122621 /nfs/dbraw/zinc/12/26/21/197122621.db2.gz QQGVXSBVHUNDRH-KBPBESRZSA-N 2 2 302.422 3.252 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156553589 197122622 /nfs/dbraw/zinc/12/26/22/197122622.db2.gz QQGVXSBVHUNDRH-KBPBESRZSA-N 2 2 302.422 3.252 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000156434472 197113751 /nfs/dbraw/zinc/11/37/51/197113751.db2.gz PQVRIDRQFDXOQS-SOUVJXGZSA-N 2 2 317.437 3.253 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000156434472 197113753 /nfs/dbraw/zinc/11/37/53/197113753.db2.gz PQVRIDRQFDXOQS-SOUVJXGZSA-N 2 2 317.437 3.253 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000156226734 197096835 /nfs/dbraw/zinc/09/68/35/197096835.db2.gz ZVAGEBLVPKGXEL-NSHDSACASA-N 2 2 315.314 3.467 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296433 197041151 /nfs/dbraw/zinc/04/11/51/197041151.db2.gz FWUYBBOSUYZKJX-DAYGRLMNSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296433 197041153 /nfs/dbraw/zinc/04/11/53/197041153.db2.gz FWUYBBOSUYZKJX-DAYGRLMNSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ncsc1CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000294690370 224170064 /nfs/dbraw/zinc/17/00/64/224170064.db2.gz AQLKHMBVGRSHSU-UHFFFAOYSA-N 2 2 312.442 3.278 20 0 DGADLP OCC1([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)CCCC1 ZINC000459544965 285249559 /nfs/dbraw/zinc/24/95/59/285249559.db2.gz OKBHBIVODZBKFL-SFHVURJKSA-N 2 2 313.445 3.157 20 0 DGADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[NH2+]C3)s2)cc1 ZINC000415103537 533192584 /nfs/dbraw/zinc/19/25/84/533192584.db2.gz KNSSDSAAOZSJNB-SMDDNHRTSA-N 2 2 317.458 3.140 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507041 285269176 /nfs/dbraw/zinc/26/91/76/285269176.db2.gz CHLRVKQGORVHOJ-FPAYPSAMSA-N 2 2 324.472 3.389 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000297507041 285269178 /nfs/dbraw/zinc/26/91/78/285269178.db2.gz CHLRVKQGORVHOJ-FPAYPSAMSA-N 2 2 324.472 3.389 20 0 DGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000120553999 195188858 /nfs/dbraw/zinc/18/88/58/195188858.db2.gz LMXQWEJYCLUKAQ-HNNXBMFYSA-N 2 2 318.465 3.412 20 0 DGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2C)C1 ZINC000120553999 195188859 /nfs/dbraw/zinc/18/88/59/195188859.db2.gz LMXQWEJYCLUKAQ-HNNXBMFYSA-N 2 2 318.465 3.412 20 0 DGADLP CCOc1cccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000120883652 195256770 /nfs/dbraw/zinc/25/67/70/195256770.db2.gz SLTUAXJRPPIKNX-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP C[NH+](C)CCN(Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000289500696 221021971 /nfs/dbraw/zinc/02/19/71/221021971.db2.gz SVQNIGSGYCMZOP-UHFFFAOYSA-N 2 2 324.428 3.029 20 0 DGADLP Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC000348337602 285340593 /nfs/dbraw/zinc/34/05/93/285340593.db2.gz GRPNCDOZWQOUAD-INIZCTEOSA-N 2 2 302.466 3.077 20 0 DGADLP Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC000348337602 285340599 /nfs/dbraw/zinc/34/05/99/285340599.db2.gz GRPNCDOZWQOUAD-INIZCTEOSA-N 2 2 302.466 3.077 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]C2CCC(O)CC2)c2cccs2)CC1 ZINC000353452189 285359293 /nfs/dbraw/zinc/35/92/93/285359293.db2.gz YNZUROBCZXVDNI-OFLPRAFFSA-N 2 2 322.518 3.414 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCC(O)CC2)c2cccs2)CC1 ZINC000353452188 285359615 /nfs/dbraw/zinc/35/96/15/285359615.db2.gz YNZUROBCZXVDNI-JCYILVPMSA-N 2 2 322.518 3.414 20 0 DGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc[nH+]cc1C)c1ccco1 ZINC000121038294 195284904 /nfs/dbraw/zinc/28/49/04/195284904.db2.gz QCYUJDRAIMQXOW-HNNXBMFYSA-N 2 2 316.405 3.188 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000121842136 195358604 /nfs/dbraw/zinc/35/86/04/195358604.db2.gz SXMUQCGMHVNSSP-UHFFFAOYSA-N 2 2 316.449 3.118 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839575 195359181 /nfs/dbraw/zinc/35/91/81/195359181.db2.gz XNQCPADTTGEUHU-LAUBAEHRSA-N 2 2 324.468 3.494 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(CO)c1 ZINC000121839575 195359183 /nfs/dbraw/zinc/35/91/83/195359183.db2.gz XNQCPADTTGEUHU-LAUBAEHRSA-N 2 2 324.468 3.494 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000356581202 285395644 /nfs/dbraw/zinc/39/56/44/285395644.db2.gz RTUIOCLZNYOFPX-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000356581202 285395646 /nfs/dbraw/zinc/39/56/46/285395646.db2.gz RTUIOCLZNYOFPX-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000356581202 285395648 /nfs/dbraw/zinc/39/56/48/285395648.db2.gz RTUIOCLZNYOFPX-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000356581202 285395650 /nfs/dbraw/zinc/39/56/50/285395650.db2.gz RTUIOCLZNYOFPX-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1OC(C)C ZINC000432793022 533479509 /nfs/dbraw/zinc/47/95/09/533479509.db2.gz NEBAYDGOIUTGNC-KRWDZBQOSA-N 2 2 320.477 3.399 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1OC(C)C ZINC000432793022 533479513 /nfs/dbraw/zinc/47/95/13/533479513.db2.gz NEBAYDGOIUTGNC-KRWDZBQOSA-N 2 2 320.477 3.399 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)sc1Br ZINC000415120920 533626389 /nfs/dbraw/zinc/62/63/89/533626389.db2.gz GPZNYVGYXWXRBL-ONGXEEELSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)sc1Br ZINC000415120920 533626400 /nfs/dbraw/zinc/62/64/00/533626400.db2.gz GPZNYVGYXWXRBL-ONGXEEELSA-N 2 2 317.296 3.236 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000163830077 132124932 /nfs/dbraw/zinc/12/49/32/132124932.db2.gz WEBFQXZOLWCQKN-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C[C@@H]1C[NH3+] ZINC000163830077 132124933 /nfs/dbraw/zinc/12/49/33/132124933.db2.gz WEBFQXZOLWCQKN-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cncs1 ZINC000164392570 132161745 /nfs/dbraw/zinc/16/17/45/132161745.db2.gz KTSQGRRWZLCVTN-HNNXBMFYSA-N 2 2 323.506 3.076 20 0 DGADLP CC(C)CSCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356870779 285531122 /nfs/dbraw/zinc/53/11/22/285531122.db2.gz OLBWPRCFKONYKD-UHFFFAOYSA-N 2 2 312.445 3.382 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056407 400092794 /nfs/dbraw/zinc/09/27/94/400092794.db2.gz HAOCIFWAHWXRCB-SJORKVTESA-N 2 2 318.461 3.387 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056407 400092797 /nfs/dbraw/zinc/09/27/97/400092797.db2.gz HAOCIFWAHWXRCB-SJORKVTESA-N 2 2 318.461 3.387 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540765 400094234 /nfs/dbraw/zinc/09/42/34/400094234.db2.gz GKNRXPFSCAFCQU-UKRRQHHQSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540765 400094240 /nfs/dbraw/zinc/09/42/40/400094240.db2.gz GKNRXPFSCAFCQU-UKRRQHHQSA-N 2 2 322.449 3.099 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000584782551 400102961 /nfs/dbraw/zinc/10/29/61/400102961.db2.gz QDTLNVDVDRDKSQ-DLBZAZTESA-N 2 2 324.415 3.437 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000584782551 400102965 /nfs/dbraw/zinc/10/29/65/400102965.db2.gz QDTLNVDVDRDKSQ-DLBZAZTESA-N 2 2 324.415 3.437 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000091265305 400109392 /nfs/dbraw/zinc/10/93/92/400109392.db2.gz VJFUBPJRMHTOLC-CQSZACIVSA-N 2 2 300.450 3.191 20 0 DGADLP CCc1nnc([C@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000600625286 400111935 /nfs/dbraw/zinc/11/19/35/400111935.db2.gz QKDWCYDGDSJRSS-HNNXBMFYSA-N 2 2 320.481 3.281 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090847263 400079959 /nfs/dbraw/zinc/07/99/59/400079959.db2.gz UCOYLJSARVMNGC-UHFFFAOYSA-N 3 2 301.478 3.319 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525354 400145716 /nfs/dbraw/zinc/14/57/16/400145716.db2.gz GFMIBGJROYBAFQ-GXTWGEPZSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000315525354 400145721 /nfs/dbraw/zinc/14/57/21/400145721.db2.gz GFMIBGJROYBAFQ-GXTWGEPZSA-N 2 2 303.381 3.040 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071879 400151969 /nfs/dbraw/zinc/15/19/69/400151969.db2.gz NRYZNFJDJLVPPD-CQSZACIVSA-N 2 2 321.371 3.433 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071879 400151973 /nfs/dbraw/zinc/15/19/73/400151973.db2.gz NRYZNFJDJLVPPD-CQSZACIVSA-N 2 2 321.371 3.433 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092071463 400152500 /nfs/dbraw/zinc/15/25/00/400152500.db2.gz WOQXYNLIUUACEP-HNNXBMFYSA-N 2 2 301.438 3.013 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092071463 400152502 /nfs/dbraw/zinc/15/25/02/400152502.db2.gz WOQXYNLIUUACEP-HNNXBMFYSA-N 2 2 301.438 3.013 20 0 DGADLP Clc1ccc(-c2cnc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000318831322 400158448 /nfs/dbraw/zinc/15/84/48/400158448.db2.gz BGSWVQGBNVNXBE-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP Clc1ccc(-c2cnc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000318831322 400158452 /nfs/dbraw/zinc/15/84/52/400158452.db2.gz BGSWVQGBNVNXBE-QGZVFWFLSA-N 2 2 317.820 3.180 20 0 DGADLP CCOc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321698336 400171482 /nfs/dbraw/zinc/17/14/82/400171482.db2.gz SVFUAESTACIXOI-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccccc1OCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321698336 400171483 /nfs/dbraw/zinc/17/14/83/400171483.db2.gz SVFUAESTACIXOI-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770345 400255374 /nfs/dbraw/zinc/25/53/74/400255374.db2.gz FNCBOAJPISWJDB-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770345 400255377 /nfs/dbraw/zinc/25/53/77/400255377.db2.gz FNCBOAJPISWJDB-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770345 400255380 /nfs/dbraw/zinc/25/53/80/400255380.db2.gz FNCBOAJPISWJDB-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC000093770345 400255383 /nfs/dbraw/zinc/25/53/83/400255383.db2.gz FNCBOAJPISWJDB-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770504 400255692 /nfs/dbraw/zinc/25/56/92/400255692.db2.gz VNQWEAZSJXJEIG-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770504 400255694 /nfs/dbraw/zinc/25/56/94/400255694.db2.gz VNQWEAZSJXJEIG-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770504 400255696 /nfs/dbraw/zinc/25/56/96/400255696.db2.gz VNQWEAZSJXJEIG-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000093770504 400255699 /nfs/dbraw/zinc/25/56/99/400255699.db2.gz VNQWEAZSJXJEIG-MRXNPFEDSA-N 2 2 320.477 3.256 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753080 400252811 /nfs/dbraw/zinc/25/28/11/400252811.db2.gz OICLGYUYTPFJIA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753080 400252815 /nfs/dbraw/zinc/25/28/15/400252815.db2.gz OICLGYUYTPFJIA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753080 400252817 /nfs/dbraw/zinc/25/28/17/400252817.db2.gz OICLGYUYTPFJIA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753080 400252821 /nfs/dbraw/zinc/25/28/21/400252821.db2.gz OICLGYUYTPFJIA-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753082 400254205 /nfs/dbraw/zinc/25/42/05/400254205.db2.gz OICLGYUYTPFJIA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753082 400254210 /nfs/dbraw/zinc/25/42/10/400254210.db2.gz OICLGYUYTPFJIA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753082 400254212 /nfs/dbraw/zinc/25/42/12/400254212.db2.gz OICLGYUYTPFJIA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000093753082 400254214 /nfs/dbraw/zinc/25/42/14/400254214.db2.gz OICLGYUYTPFJIA-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000390539625 400271470 /nfs/dbraw/zinc/27/14/70/400271470.db2.gz QKJDUOMVOQNMCL-VQTJNVASSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000390539625 400271479 /nfs/dbraw/zinc/27/14/79/400271479.db2.gz QKJDUOMVOQNMCL-VQTJNVASSA-N 2 2 322.452 3.244 20 0 DGADLP C[C@]1([NH2+]Cc2cnn3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000406018560 400300828 /nfs/dbraw/zinc/30/08/28/400300828.db2.gz ZYCMVZPVMVGKNL-FQEVSTJZSA-N 2 2 320.440 3.089 20 0 DGADLP C[C@]1([NH2+]Cc2cnn3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000406018560 400300833 /nfs/dbraw/zinc/30/08/33/400300833.db2.gz ZYCMVZPVMVGKNL-FQEVSTJZSA-N 2 2 320.440 3.089 20 0 DGADLP Cn1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000589645351 400317048 /nfs/dbraw/zinc/31/70/48/400317048.db2.gz JRLQJSFQGJIVNC-UHFFFAOYSA-N 2 2 317.396 3.049 20 0 DGADLP Cc1cc(N2CC[NH+](CCc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000070755820 400355912 /nfs/dbraw/zinc/35/59/12/400355912.db2.gz WUEXSRLSJGDSJJ-UHFFFAOYSA-N 2 2 324.472 3.273 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000040622120 400401583 /nfs/dbraw/zinc/40/15/83/400401583.db2.gz ZSEFUVWGFRFSEP-CYBMUJFWSA-N 2 2 311.267 3.269 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000040622120 400401588 /nfs/dbraw/zinc/40/15/88/400401588.db2.gz ZSEFUVWGFRFSEP-CYBMUJFWSA-N 2 2 311.267 3.269 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705647 296584673 /nfs/dbraw/zinc/58/46/73/296584673.db2.gz CNVDCUXGUWHCKA-YLJYHZDGSA-N 3 2 315.505 3.150 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000074428097 400511526 /nfs/dbraw/zinc/51/15/26/400511526.db2.gz NNXVYECCVJTMNN-OAHLLOKOSA-N 2 2 312.417 3.075 20 0 DGADLP Cc1cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc(C)[nH+]1 ZINC000043534058 400470294 /nfs/dbraw/zinc/47/02/94/400470294.db2.gz KDONFOHTARBVQR-UHFFFAOYSA-N 2 2 307.401 3.354 20 0 DGADLP Fc1ccc(OCCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081909 400483813 /nfs/dbraw/zinc/48/38/13/400483813.db2.gz BLNWHRJWMCEZJW-INIZCTEOSA-N 2 2 303.381 3.128 20 0 DGADLP Brc1cc(C[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000044353174 400490350 /nfs/dbraw/zinc/49/03/50/400490350.db2.gz HQEGRSSGPMJPFK-UHFFFAOYSA-N 2 2 314.252 3.277 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000597188046 400581268 /nfs/dbraw/zinc/58/12/68/400581268.db2.gz JWLVNEGFHAYJGV-HOTGVXAUSA-N 2 2 324.509 3.066 20 0 DGADLP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358078560 285965027 /nfs/dbraw/zinc/96/50/27/285965027.db2.gz DDTWBNHZWWHYCJ-HNNXBMFYSA-N 2 2 315.486 3.328 20 0 DGADLP C(=C\c1ccccc1)\C[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000051217981 400696882 /nfs/dbraw/zinc/69/68/82/400696882.db2.gz VAMPNSQOISIDPC-TWGQIWQCSA-N 2 2 318.424 3.398 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C)c2cc1C ZINC000051317811 400700622 /nfs/dbraw/zinc/70/06/22/400700622.db2.gz ZCQSMTITEMJGHD-HOTGVXAUSA-N 2 2 317.477 3.380 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C)c2cc1C ZINC000051317811 400700632 /nfs/dbraw/zinc/70/06/32/400700632.db2.gz ZCQSMTITEMJGHD-HOTGVXAUSA-N 2 2 317.477 3.380 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000605712115 400883147 /nfs/dbraw/zinc/88/31/47/400883147.db2.gz QSMZIHRPPZATNH-DZGCQCFKSA-N 2 2 320.462 3.274 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000605712115 400883150 /nfs/dbraw/zinc/88/31/50/400883150.db2.gz QSMZIHRPPZATNH-DZGCQCFKSA-N 2 2 320.462 3.274 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065862 400947081 /nfs/dbraw/zinc/94/70/81/400947081.db2.gz SEKOSOROPWMOGE-ZBFHGGJFSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599065862 400947085 /nfs/dbraw/zinc/94/70/85/400947085.db2.gz SEKOSOROPWMOGE-ZBFHGGJFSA-N 2 2 310.482 3.103 20 0 DGADLP CCC[C@H](C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)OCC ZINC000629514075 400952329 /nfs/dbraw/zinc/95/23/29/400952329.db2.gz IYEGCKIDLIBRGQ-GUDVDZBRSA-N 2 2 320.477 3.283 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629653705 401020488 /nfs/dbraw/zinc/02/04/88/401020488.db2.gz FPFHADYJYYPDLI-GXFFZTMASA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629653705 401020496 /nfs/dbraw/zinc/02/04/96/401020496.db2.gz FPFHADYJYYPDLI-GXFFZTMASA-N 2 2 324.749 3.438 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000629532340 400963194 /nfs/dbraw/zinc/96/31/94/400963194.db2.gz WFMBROUMJWXJDX-LTDCPUDJSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000629540310 400966822 /nfs/dbraw/zinc/96/68/22/400966822.db2.gz VVJGRIJEKLNRRT-SCVCMEIPSA-N 2 2 315.230 3.379 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)s1 ZINC000629540152 400966992 /nfs/dbraw/zinc/96/69/92/400966992.db2.gz UMWFWDUJYVBUHD-KXUCPTDWSA-N 2 2 303.269 3.302 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000629651563 401018266 /nfs/dbraw/zinc/01/82/66/401018266.db2.gz TUUOEJGBBMGZDS-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000629651563 401018274 /nfs/dbraw/zinc/01/82/74/401018274.db2.gz TUUOEJGBBMGZDS-UHFFFAOYSA-N 2 2 302.393 3.185 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566460 400979824 /nfs/dbraw/zinc/97/98/24/400979824.db2.gz ZJCLQLIUNRPOOP-ZYHUDNBSSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566460 400979827 /nfs/dbraw/zinc/97/98/27/400979827.db2.gz ZJCLQLIUNRPOOP-ZYHUDNBSSA-N 2 2 324.749 3.438 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000248852248 401078383 /nfs/dbraw/zinc/07/83/83/401078383.db2.gz ULUSVQKSXYBWOF-LNLFQRSKSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000248852248 401078393 /nfs/dbraw/zinc/07/83/93/401078393.db2.gz ULUSVQKSXYBWOF-LNLFQRSKSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F ZINC000629657434 401022381 /nfs/dbraw/zinc/02/23/81/401022381.db2.gz XTAYWOWZQMXNME-QWHCGFSZSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F ZINC000629657434 401022386 /nfs/dbraw/zinc/02/23/86/401022386.db2.gz XTAYWOWZQMXNME-QWHCGFSZSA-N 2 2 304.331 3.093 20 0 DGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCc1c(F)cccc1Cl)C2 ZINC000629668265 401030120 /nfs/dbraw/zinc/03/01/20/401030120.db2.gz SRAOURMRTXWVQE-CALCHBBNSA-N 2 2 310.844 3.343 20 0 DGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCc1c(F)cccc1Cl)C2 ZINC000629668265 401030125 /nfs/dbraw/zinc/03/01/25/401030125.db2.gz SRAOURMRTXWVQE-CALCHBBNSA-N 2 2 310.844 3.343 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000249627644 401087194 /nfs/dbraw/zinc/08/71/94/401087194.db2.gz UKGYBAZOHDUXTA-LBTNJELSSA-N 2 2 300.446 3.287 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000249627644 401087196 /nfs/dbraw/zinc/08/71/96/401087196.db2.gz UKGYBAZOHDUXTA-LBTNJELSSA-N 2 2 300.446 3.287 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239358 286008049 /nfs/dbraw/zinc/00/80/49/286008049.db2.gz ORIHMGBVOXEVFO-IJEWVQPXSA-N 2 2 305.466 3.077 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000358239358 286008050 /nfs/dbraw/zinc/00/80/50/286008050.db2.gz ORIHMGBVOXEVFO-IJEWVQPXSA-N 2 2 305.466 3.077 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625656077 401176913 /nfs/dbraw/zinc/17/69/13/401176913.db2.gz SGYCJTZCYWAEAI-AWEZNQCLSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625656077 401176920 /nfs/dbraw/zinc/17/69/20/401176920.db2.gz SGYCJTZCYWAEAI-AWEZNQCLSA-N 2 2 305.372 3.120 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000088693864 401204890 /nfs/dbraw/zinc/20/48/90/401204890.db2.gz UANQAKKRDCPRDQ-UZLBHIALSA-N 2 2 310.441 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000088693864 401204898 /nfs/dbraw/zinc/20/48/98/401204898.db2.gz UANQAKKRDCPRDQ-UZLBHIALSA-N 2 2 310.441 3.045 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[NH+](CC)CC)cc2[nH+]1 ZINC000063811999 401218883 /nfs/dbraw/zinc/21/88/83/401218883.db2.gz FNELWMTZARINOQ-UHFFFAOYSA-N 2 2 302.422 3.186 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC000090409242 401264774 /nfs/dbraw/zinc/26/47/74/401264774.db2.gz HXQXXOVFIMZYKS-AZUAARDMSA-N 2 2 315.505 3.023 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000090409242 401264775 /nfs/dbraw/zinc/26/47/75/401264775.db2.gz HXQXXOVFIMZYKS-AZUAARDMSA-N 2 2 315.505 3.023 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC000090409243 401264818 /nfs/dbraw/zinc/26/48/18/401264818.db2.gz HXQXXOVFIMZYKS-ICSRJNTNSA-N 2 2 315.505 3.023 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000090409243 401264819 /nfs/dbraw/zinc/26/48/19/401264819.db2.gz HXQXXOVFIMZYKS-ICSRJNTNSA-N 2 2 315.505 3.023 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716030 401282105 /nfs/dbraw/zinc/28/21/05/401282105.db2.gz OZSGKJLMHRPXBN-QFBILLFUSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716030 401282107 /nfs/dbraw/zinc/28/21/07/401282107.db2.gz OZSGKJLMHRPXBN-QFBILLFUSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716030 401282111 /nfs/dbraw/zinc/28/21/11/401282111.db2.gz OZSGKJLMHRPXBN-QFBILLFUSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1nccnc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000621716030 401282114 /nfs/dbraw/zinc/28/21/14/401282114.db2.gz OZSGKJLMHRPXBN-QFBILLFUSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nccnc1C ZINC000621719341 401283972 /nfs/dbraw/zinc/28/39/72/401283972.db2.gz JWTDHUAPXJVRPR-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nccnc1C ZINC000621719341 401283974 /nfs/dbraw/zinc/28/39/74/401283974.db2.gz JWTDHUAPXJVRPR-INIZCTEOSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1cc(C)cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000065932353 401285923 /nfs/dbraw/zinc/28/59/23/401285923.db2.gz DGFYVIRJWWIXHA-UHFFFAOYSA-N 2 2 309.457 3.453 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000090047548 401250711 /nfs/dbraw/zinc/25/07/11/401250711.db2.gz GAAGPIZIVWDRTJ-CHWSQXEVSA-N 2 2 314.832 3.241 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000634678536 401331434 /nfs/dbraw/zinc/33/14/34/401331434.db2.gz XLQQCEDOQZWDSE-MSOLQXFVSA-N 2 2 302.462 3.371 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004522 401334968 /nfs/dbraw/zinc/33/49/68/401334968.db2.gz PUZFQDCKYMJYDO-XLIONFOSSA-N 2 2 322.456 3.163 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622004522 401334971 /nfs/dbraw/zinc/33/49/71/401334971.db2.gz PUZFQDCKYMJYDO-XLIONFOSSA-N 2 2 322.456 3.163 20 0 DGADLP COc1c(C)c[nH+]c(CN2CC[C@H](C[NH3+])c3ccccc32)c1C ZINC000634690320 401335656 /nfs/dbraw/zinc/33/56/56/401335656.db2.gz IPOUBJZMTWXEIM-OAHLLOKOSA-N 2 2 311.429 3.160 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nnc(C)o1 ZINC000626062127 401291881 /nfs/dbraw/zinc/29/18/81/401291881.db2.gz IPLYVNGBDUMWHA-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1nnc(C)o1 ZINC000626062127 401291885 /nfs/dbraw/zinc/29/18/85/401291885.db2.gz IPLYVNGBDUMWHA-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1noc(C)n1 ZINC000626062929 401292185 /nfs/dbraw/zinc/29/21/85/401292185.db2.gz LTJPRDGNKSYDEI-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1noc(C)n1 ZINC000626062929 401292190 /nfs/dbraw/zinc/29/21/90/401292190.db2.gz LTJPRDGNKSYDEI-CYBMUJFWSA-N 2 2 302.422 3.023 20 0 DGADLP c1cncc(C[NH+]2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)c1 ZINC000358368206 286043305 /nfs/dbraw/zinc/04/33/05/286043305.db2.gz ODAGKQJIRWYQBA-HXUWFJFHSA-N 2 2 322.456 3.182 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102208 401300239 /nfs/dbraw/zinc/30/02/39/401300239.db2.gz YEQWYVDSYTWRCH-HUUCEWRRSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626102208 401300241 /nfs/dbraw/zinc/30/02/41/401300241.db2.gz YEQWYVDSYTWRCH-HUUCEWRRSA-N 2 2 317.260 3.101 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000631036303 401374580 /nfs/dbraw/zinc/37/45/80/401374580.db2.gz JJPQXIQDZHCDFV-UHFFFAOYSA-N 2 2 324.852 3.074 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc2nccnc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000634975845 401393738 /nfs/dbraw/zinc/39/37/38/401393738.db2.gz ITAXKKHFLRBCON-QRWLVFNGSA-N 2 2 320.440 3.411 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000635003060 401398708 /nfs/dbraw/zinc/39/87/08/401398708.db2.gz FNMHXLHUGKMGSM-NWLYGAKOSA-N 2 2 312.816 3.039 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccs1 ZINC000631195989 401423584 /nfs/dbraw/zinc/42/35/84/401423584.db2.gz MBBJOOMEFACHQY-ZBFHGGJFSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccs1 ZINC000631195989 401423585 /nfs/dbraw/zinc/42/35/85/401423585.db2.gz MBBJOOMEFACHQY-ZBFHGGJFSA-N 2 2 301.459 3.001 20 0 DGADLP CC(C)C[C@H](C(=O)NCCC[NH+](C(C)C)C(C)C)n1cc[nH+]c1 ZINC000635634537 401465460 /nfs/dbraw/zinc/46/54/60/401465460.db2.gz ATDFVYKYXWZXJC-QGZVFWFLSA-N 2 2 322.497 3.095 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000631444317 401471563 /nfs/dbraw/zinc/47/15/63/401471563.db2.gz IVAWTGFCDFWTRI-UHFFFAOYSA-N 2 2 316.424 3.167 20 0 DGADLP CN(C)c1c(C[NH2+]CCCNc2cccc[nH+]2)ccc(F)c1F ZINC000623441732 401518967 /nfs/dbraw/zinc/51/89/67/401518967.db2.gz GWAWYBKMOYENMZ-UHFFFAOYSA-N 2 2 320.387 3.018 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@@H+]1Cc1ccccc1 ZINC000623445822 401520751 /nfs/dbraw/zinc/52/07/51/401520751.db2.gz GPBIMOFFFZWXGQ-CRAIPNDOSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C[N@H+]1Cc1ccccc1 ZINC000623445822 401520753 /nfs/dbraw/zinc/52/07/53/401520753.db2.gz GPBIMOFFFZWXGQ-CRAIPNDOSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000631654739 401525669 /nfs/dbraw/zinc/52/56/69/401525669.db2.gz GRHYYTAICGSGIX-IBKQYLNMSA-N 2 2 322.399 3.010 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000631654739 401525674 /nfs/dbraw/zinc/52/56/74/401525674.db2.gz GRHYYTAICGSGIX-IBKQYLNMSA-N 2 2 322.399 3.010 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000631662285 401528336 /nfs/dbraw/zinc/52/83/36/401528336.db2.gz DOUQGBVPPJWLDH-HFTRVMKXSA-N 2 2 313.445 3.402 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000631662285 401528340 /nfs/dbraw/zinc/52/83/40/401528340.db2.gz DOUQGBVPPJWLDH-HFTRVMKXSA-N 2 2 313.445 3.402 20 0 DGADLP CN(C)c1c(F)c(F)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000628157731 401537650 /nfs/dbraw/zinc/53/76/50/401537650.db2.gz RXVZIFZLOYTGPV-UHFFFAOYSA-N 2 2 320.387 3.064 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)sc2c1 ZINC000623657286 401563286 /nfs/dbraw/zinc/56/32/86/401563286.db2.gz MSFPXLYPFLLYIC-CYBMUJFWSA-N 2 2 319.474 3.126 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)sc2c1 ZINC000623657286 401563288 /nfs/dbraw/zinc/56/32/88/401563288.db2.gz MSFPXLYPFLLYIC-CYBMUJFWSA-N 2 2 319.474 3.126 20 0 DGADLP Cc1[nH]c(CN(CC[NH+](C)C)Cc2cccc(Cl)c2)[nH+]c1C ZINC000628278527 401565578 /nfs/dbraw/zinc/56/55/78/401565578.db2.gz UIUVSLUTQCDBSI-UHFFFAOYSA-N 2 2 320.868 3.244 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628394536 401589176 /nfs/dbraw/zinc/58/91/76/401589176.db2.gz YZKQPARXJBMNQN-CQSZACIVSA-N 2 2 305.372 3.386 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628394536 401589177 /nfs/dbraw/zinc/58/91/77/401589177.db2.gz YZKQPARXJBMNQN-CQSZACIVSA-N 2 2 305.372 3.386 20 0 DGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)n1 ZINC000623879705 401593161 /nfs/dbraw/zinc/59/31/61/401593161.db2.gz MTGQQLFXZAJCLF-CQSZACIVSA-N 2 2 319.474 3.243 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892677 401594852 /nfs/dbraw/zinc/59/48/52/401594852.db2.gz WWGOSXUZQCOKNK-WBVHZDCISA-N 2 2 309.523 3.042 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892677 401594856 /nfs/dbraw/zinc/59/48/56/401594856.db2.gz WWGOSXUZQCOKNK-WBVHZDCISA-N 2 2 309.523 3.042 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892674 401595213 /nfs/dbraw/zinc/59/52/13/401595213.db2.gz WWGOSXUZQCOKNK-DOTOQJQBSA-N 2 2 309.523 3.042 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(C)sc1C ZINC000623892674 401595215 /nfs/dbraw/zinc/59/52/15/401595215.db2.gz WWGOSXUZQCOKNK-DOTOQJQBSA-N 2 2 309.523 3.042 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](c2cccc(C)c2)C(C)C)CC1 ZINC000623903312 401597101 /nfs/dbraw/zinc/59/71/01/401597101.db2.gz BVRGRIUETWDPSQ-IBGZPJMESA-N 2 2 304.478 3.393 20 0 DGADLP CCN(Cc1[nH]cc(C)[nH+]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628186979 401544672 /nfs/dbraw/zinc/54/46/72/401544672.db2.gz BPQVRGNBFOPRBU-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CCN(Cc1[nH]cc(C)[nH+]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628186979 401544676 /nfs/dbraw/zinc/54/46/76/401544676.db2.gz BPQVRGNBFOPRBU-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP FC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000631798647 401555886 /nfs/dbraw/zinc/55/58/86/401555886.db2.gz WXLRXLOELHWVBW-MSOLQXFVSA-N 2 2 324.415 3.069 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859348 401561352 /nfs/dbraw/zinc/56/13/52/401561352.db2.gz MVCIIPMHNRNEGQ-VQIMIIECSA-N 2 2 310.441 3.214 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000631859348 401561356 /nfs/dbraw/zinc/56/13/56/401561356.db2.gz MVCIIPMHNRNEGQ-VQIMIIECSA-N 2 2 310.441 3.214 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000624288305 401646548 /nfs/dbraw/zinc/64/65/48/401646548.db2.gz GURLDHDKHMQAFT-HNNXBMFYSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991459 401609795 /nfs/dbraw/zinc/60/97/95/401609795.db2.gz HTQDSNPCJLPDOK-MJGOQNOKSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cc(C)ccc1C ZINC000623991459 401609797 /nfs/dbraw/zinc/60/97/97/401609797.db2.gz HTQDSNPCJLPDOK-MJGOQNOKSA-N 2 2 304.478 3.191 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C(F)(F)F ZINC000629385960 401683191 /nfs/dbraw/zinc/68/31/91/401683191.db2.gz FWLLXMBLZNPDPM-ZDUSSCGKSA-N 2 2 302.315 3.219 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(Cl)c1 ZINC000629395423 401683949 /nfs/dbraw/zinc/68/39/49/401683949.db2.gz CUKRLNRDXZNKRN-IHRRRGAJSA-N 2 2 323.868 3.096 20 0 DGADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCOC1 ZINC000358708127 286129196 /nfs/dbraw/zinc/12/91/96/286129196.db2.gz APVRCGBFBUACJG-SFHVURJKSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000358722713 286133123 /nfs/dbraw/zinc/13/31/23/286133123.db2.gz ZEEDKPZXUPMGBV-GOSISDBHSA-N 2 2 322.880 3.055 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358828557 286163630 /nfs/dbraw/zinc/16/36/30/286163630.db2.gz OTZMPCATBZNNQH-UYAOXDASSA-N 2 2 315.505 3.115 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828557 286163633 /nfs/dbraw/zinc/16/36/33/286163633.db2.gz OTZMPCATBZNNQH-UYAOXDASSA-N 2 2 315.505 3.115 20 0 DGADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000358909451 286184248 /nfs/dbraw/zinc/18/42/48/286184248.db2.gz BELCLQNSBVJESE-OAHLLOKOSA-N 2 2 320.234 3.313 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000359015938 286215830 /nfs/dbraw/zinc/21/58/30/286215830.db2.gz PEEUQRQLCCVNKN-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325892 286284512 /nfs/dbraw/zinc/28/45/12/286284512.db2.gz UHDRIHOODYDABM-MBNYWOFBSA-N 2 2 320.868 3.360 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325892 286284514 /nfs/dbraw/zinc/28/45/14/286284514.db2.gz UHDRIHOODYDABM-MBNYWOFBSA-N 2 2 320.868 3.360 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475442 286305416 /nfs/dbraw/zinc/30/54/16/286305416.db2.gz BIMPMJFJTKLYGO-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475442 286305417 /nfs/dbraw/zinc/30/54/17/286305417.db2.gz BIMPMJFJTKLYGO-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475442 286305418 /nfs/dbraw/zinc/30/54/18/286305418.db2.gz BIMPMJFJTKLYGO-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475442 286305419 /nfs/dbraw/zinc/30/54/19/286305419.db2.gz BIMPMJFJTKLYGO-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP CCN(C)c1ccc(CNc2ccccc2CC[NH+](C)C)c[nH+]1 ZINC000359668661 286357581 /nfs/dbraw/zinc/35/75/81/286357581.db2.gz CDGQWWRCZDKWNS-UHFFFAOYSA-N 2 2 312.461 3.254 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000359666904 286357261 /nfs/dbraw/zinc/35/72/61/286357261.db2.gz YCBGYIVRMUTGNL-ZACQAIPSSA-N 2 2 316.489 3.325 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359738412 286371477 /nfs/dbraw/zinc/37/14/77/286371477.db2.gz XZDKUIMPVSDSGW-WBVHZDCISA-N 2 2 321.513 3.023 20 0 DGADLP c1cc(C2CCCC2)ccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000360973456 286566356 /nfs/dbraw/zinc/56/63/56/286566356.db2.gz CHCIHPXDEWGXGY-UHFFFAOYSA-N 2 2 302.462 3.156 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](OC(C)C)C3(C)C)n2c1 ZINC000361903851 286742590 /nfs/dbraw/zinc/74/25/90/286742590.db2.gz HKWKZAJMGUFKQJ-HOTGVXAUSA-N 2 2 301.434 3.324 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CCC2 ZINC000361972731 286753284 /nfs/dbraw/zinc/75/32/84/286753284.db2.gz TUMOSOAPWIXCRS-ZWKOTPCHSA-N 2 2 320.502 3.100 20 0 DGADLP c1coc([C@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCCCC2)c1 ZINC000362838566 286867938 /nfs/dbraw/zinc/86/79/38/286867938.db2.gz OLEFCBWOOPXBLU-SFHVURJKSA-N 2 2 322.412 3.284 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423063225 286916442 /nfs/dbraw/zinc/91/64/42/286916442.db2.gz WAMPUSSOAOIGFP-JEBQAFNWSA-N 2 2 314.404 3.197 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@]1(C)CCCO1 ZINC000428463979 287013838 /nfs/dbraw/zinc/01/38/38/287013838.db2.gz WPVOXZKQIZFAKV-MDZRGWNJSA-N 2 2 317.477 3.154 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000423496104 287064334 /nfs/dbraw/zinc/06/43/34/287064334.db2.gz DEKNEMKKBRSYTJ-IAQYHMDHSA-N 2 2 320.868 3.395 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(O)cc(F)c3)C2)CC1 ZINC000186198907 165032199 /nfs/dbraw/zinc/03/21/99/165032199.db2.gz GCQYSHCLEIOGCH-MRXNPFEDSA-N 2 2 320.452 3.475 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(O)cc(F)c3)C2)CC1 ZINC000186198907 165032200 /nfs/dbraw/zinc/03/22/00/165032200.db2.gz GCQYSHCLEIOGCH-MRXNPFEDSA-N 2 2 320.452 3.475 20 0 DGADLP O[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1Cl ZINC000187138351 165078677 /nfs/dbraw/zinc/07/86/77/165078677.db2.gz RKZLYIMLEYETAW-INIZCTEOSA-N 2 2 323.799 3.046 20 0 DGADLP C[C@H](CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000191068627 165228986 /nfs/dbraw/zinc/22/89/86/165228986.db2.gz XFXMHXNOKQBXFE-MSOLQXFVSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@H](CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000191068627 165228988 /nfs/dbraw/zinc/22/89/88/165228988.db2.gz XFXMHXNOKQBXFE-MSOLQXFVSA-N 2 2 316.489 3.365 20 0 DGADLP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Br ZINC000193338259 165324362 /nfs/dbraw/zinc/32/43/62/165324362.db2.gz JARNCZMBTKWFGY-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Br ZINC000193338259 165324364 /nfs/dbraw/zinc/32/43/64/165324364.db2.gz JARNCZMBTKWFGY-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000194234472 165341402 /nfs/dbraw/zinc/34/14/02/165341402.db2.gz XZDAZHDKJUMRDS-SFHVURJKSA-N 2 2 304.409 3.072 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000221144432 165379509 /nfs/dbraw/zinc/37/95/09/165379509.db2.gz FYWBKQIKFPTVDZ-GFCCVEGCSA-N 2 2 304.768 3.125 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000221144432 165379510 /nfs/dbraw/zinc/37/95/10/165379510.db2.gz FYWBKQIKFPTVDZ-GFCCVEGCSA-N 2 2 304.768 3.125 20 0 DGADLP CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000219884713 165380013 /nfs/dbraw/zinc/38/00/13/165380013.db2.gz HJSQJRWOBHGZDN-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000219884713 165380017 /nfs/dbraw/zinc/38/00/17/165380017.db2.gz HJSQJRWOBHGZDN-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(F)cc1Br ZINC000225252161 165381181 /nfs/dbraw/zinc/38/11/81/165381181.db2.gz YZVGHBJVRSJVKI-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(F)cc1Br ZINC000225252161 165381183 /nfs/dbraw/zinc/38/11/83/165381183.db2.gz YZVGHBJVRSJVKI-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000227974542 165388672 /nfs/dbraw/zinc/38/86/72/165388672.db2.gz ZOIZWVQKNKAGOR-GXTWGEPZSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000227974542 165388675 /nfs/dbraw/zinc/38/86/75/165388675.db2.gz ZOIZWVQKNKAGOR-GXTWGEPZSA-N 2 2 311.267 3.330 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000227911563 165389101 /nfs/dbraw/zinc/38/91/01/165389101.db2.gz HOWNEKSKRITBPA-UHFFFAOYSA-N 2 2 311.676 3.205 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000227911563 165389102 /nfs/dbraw/zinc/38/91/02/165389102.db2.gz HOWNEKSKRITBPA-UHFFFAOYSA-N 2 2 311.676 3.205 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CS1 ZINC000365384073 287126389 /nfs/dbraw/zinc/12/63/89/287126389.db2.gz JQFAPKYILWJKQB-CABCVRRESA-N 2 2 316.474 3.277 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000136312217 432151287 /nfs/dbraw/zinc/15/12/87/432151287.db2.gz AVTYKPAATHEBJN-UHFFFAOYSA-N 2 2 306.479 3.468 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246684616 432153429 /nfs/dbraw/zinc/15/34/29/432153429.db2.gz VUKWCDUZLIHWPK-CVEARBPZSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246684616 432153432 /nfs/dbraw/zinc/15/34/32/432153432.db2.gz VUKWCDUZLIHWPK-CVEARBPZSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672312 432153720 /nfs/dbraw/zinc/15/37/20/432153720.db2.gz UITCZAONLHORDD-QUCCMNQESA-N 2 2 316.489 3.052 20 0 DGADLP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246672312 432153722 /nfs/dbraw/zinc/15/37/22/432153722.db2.gz UITCZAONLHORDD-QUCCMNQESA-N 2 2 316.489 3.052 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246689360 432154901 /nfs/dbraw/zinc/15/49/01/432154901.db2.gz WMVLJZCIEIWTSH-HOTGVXAUSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246689360 432154902 /nfs/dbraw/zinc/15/49/02/432154902.db2.gz WMVLJZCIEIWTSH-HOTGVXAUSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129571712 196058871 /nfs/dbraw/zinc/05/88/71/196058871.db2.gz DEUBEXOTDPSIAF-DOMZBBRYSA-N 2 2 314.364 3.247 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129571712 196058872 /nfs/dbraw/zinc/05/88/72/196058872.db2.gz DEUBEXOTDPSIAF-DOMZBBRYSA-N 2 2 314.364 3.247 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000246825944 432168101 /nfs/dbraw/zinc/16/81/01/432168101.db2.gz AVLURJLXDOYNHV-GJYPPUQNSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000246825944 432168105 /nfs/dbraw/zinc/16/81/05/432168105.db2.gz AVLURJLXDOYNHV-GJYPPUQNSA-N 2 2 312.461 3.217 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2cn1 ZINC000269431495 432172515 /nfs/dbraw/zinc/17/25/15/432172515.db2.gz PREZZIUXYROGRN-KBXCAEBGSA-N 2 2 308.429 3.083 20 0 DGADLP c1cc2[nH+]ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2cn1 ZINC000269431495 432172517 /nfs/dbraw/zinc/17/25/17/432172517.db2.gz PREZZIUXYROGRN-KBXCAEBGSA-N 2 2 308.429 3.083 20 0 DGADLP CC(C)(C)n1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246839681 432172773 /nfs/dbraw/zinc/17/27/73/432172773.db2.gz RWEKJQYHVXGXDZ-WMZOPIPTSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246839681 432172776 /nfs/dbraw/zinc/17/27/76/432172776.db2.gz RWEKJQYHVXGXDZ-WMZOPIPTSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246839681 432172778 /nfs/dbraw/zinc/17/27/78/432172778.db2.gz RWEKJQYHVXGXDZ-WMZOPIPTSA-N 2 2 316.493 3.087 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246952172 432184353 /nfs/dbraw/zinc/18/43/53/432184353.db2.gz HLJYAVGRNYXAST-KVSKMBFKSA-N 3 2 312.461 3.396 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000247045101 432196699 /nfs/dbraw/zinc/19/66/99/432196699.db2.gz OMRTUSFPZTYXRM-NEWSRXKRSA-N 2 2 302.462 3.147 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715856 432200518 /nfs/dbraw/zinc/20/05/18/432200518.db2.gz VYPAQOPSVKLROQ-DYEKYZERSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715856 432200522 /nfs/dbraw/zinc/20/05/22/432200522.db2.gz VYPAQOPSVKLROQ-DYEKYZERSA-N 2 2 320.868 3.045 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3occc32)cn1 ZINC000190934099 432202675 /nfs/dbraw/zinc/20/26/75/432202675.db2.gz KIBNRWLLRFSCSX-INIZCTEOSA-N 2 2 308.385 3.336 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NC[C@H]3CC=CCC3)[nH+]c2)CC1 ZINC000269809829 432209041 /nfs/dbraw/zinc/20/90/41/432209041.db2.gz LWBUKORVURYCBC-INIZCTEOSA-N 2 2 314.477 3.380 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c(OC)c1 ZINC000182616518 432209873 /nfs/dbraw/zinc/20/98/73/432209873.db2.gz TVSXYXDPBUNQJG-KRWDZBQOSA-N 2 2 315.417 3.128 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c(OC)c1 ZINC000182616518 432209877 /nfs/dbraw/zinc/20/98/77/432209877.db2.gz TVSXYXDPBUNQJG-KRWDZBQOSA-N 2 2 315.417 3.128 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000247113284 432204106 /nfs/dbraw/zinc/20/41/06/432204106.db2.gz JBUNXLUNLXAFID-KGLIPLIRSA-N 2 2 317.437 3.350 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000247113284 432204108 /nfs/dbraw/zinc/20/41/08/432204108.db2.gz JBUNXLUNLXAFID-KGLIPLIRSA-N 2 2 317.437 3.350 20 0 DGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cnn1C(C)(C)C ZINC000191139164 432225282 /nfs/dbraw/zinc/22/52/82/432225282.db2.gz HXIGKVYIDHAXDO-ZDUSSCGKSA-N 2 2 304.482 3.224 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)c[nH+]1 ZINC000269980115 432225895 /nfs/dbraw/zinc/22/58/95/432225895.db2.gz MWKLGIVLOFESKA-IPMKNSEASA-N 2 2 323.440 3.310 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@@H+]1C1CC1 ZINC000151120086 432221355 /nfs/dbraw/zinc/22/13/55/432221355.db2.gz DKWNAAQZLSNMCC-CZUORRHYSA-N 2 2 300.446 3.115 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C[N@H+]1C1CC1 ZINC000151120086 432221358 /nfs/dbraw/zinc/22/13/58/432221358.db2.gz DKWNAAQZLSNMCC-CZUORRHYSA-N 2 2 300.446 3.115 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191126703 432224234 /nfs/dbraw/zinc/22/42/34/432224234.db2.gz MNMNSWVUPJJJCD-GXTWGEPZSA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2csc(Cl)c2)C1 ZINC000191126703 432224237 /nfs/dbraw/zinc/22/42/37/432224237.db2.gz MNMNSWVUPJJJCD-GXTWGEPZSA-N 2 2 316.898 3.409 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610193 196184832 /nfs/dbraw/zinc/18/48/32/196184832.db2.gz NRJXLKIBYKAGTB-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000131610193 196184834 /nfs/dbraw/zinc/18/48/34/196184834.db2.gz NRJXLKIBYKAGTB-VHSXEESVSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000132057603 196223349 /nfs/dbraw/zinc/22/33/49/196223349.db2.gz XUAWAUDQTVOVEP-FCEWJHQRSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000422775289 298883272 /nfs/dbraw/zinc/88/32/72/298883272.db2.gz AYQOQMJMQRPUPE-ATZDWAIDSA-N 2 2 302.462 3.275 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000134266592 196374773 /nfs/dbraw/zinc/37/47/73/196374773.db2.gz LSCUOOLIYSYDND-UHFFFAOYSA-N 2 2 302.462 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000295686293 225124350 /nfs/dbraw/zinc/12/43/50/225124350.db2.gz LGXKISODHQDCGI-AFYVEPGGSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000295686293 225124352 /nfs/dbraw/zinc/12/43/52/225124352.db2.gz LGXKISODHQDCGI-AFYVEPGGSA-N 2 2 316.489 3.038 20 0 DGADLP Fc1cncc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000297630549 227393732 /nfs/dbraw/zinc/39/37/32/227393732.db2.gz LZOVJBMFIMGSMN-UHFFFAOYSA-N 2 2 322.387 3.091 20 0 DGADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165449160 228265059 /nfs/dbraw/zinc/26/50/59/228265059.db2.gz QEULBFVCOBJDDW-SJORKVTESA-N 2 2 312.417 3.109 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178807596 228347007 /nfs/dbraw/zinc/34/70/07/228347007.db2.gz KVXPHBXROSEPMG-UHFFFAOYSA-N 2 2 317.396 3.430 20 0 DGADLP Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)nc(C(C)C)[nH+]1 ZINC000301214706 229566445 /nfs/dbraw/zinc/56/64/45/229566445.db2.gz XBWSMCQTSXKDGE-OAHLLOKOSA-N 2 2 311.433 3.242 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000194008629 263805708 /nfs/dbraw/zinc/80/57/08/263805708.db2.gz HFZQAILUGMBTEJ-AKHDSKFASA-N 2 2 314.473 3.145 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000346284925 264002631 /nfs/dbraw/zinc/00/26/31/264002631.db2.gz ZCLSPISHZFWKNE-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000346284925 264002635 /nfs/dbraw/zinc/00/26/35/264002635.db2.gz ZCLSPISHZFWKNE-UHFFFAOYSA-N 2 2 320.234 3.012 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@@H+]1C ZINC000346315732 264008374 /nfs/dbraw/zinc/00/83/74/264008374.db2.gz AAOGIZFXPFRIIW-CXAGYDPISA-N 2 2 323.431 3.006 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@H+]1C ZINC000346315732 264008376 /nfs/dbraw/zinc/00/83/76/264008376.db2.gz AAOGIZFXPFRIIW-CXAGYDPISA-N 2 2 323.431 3.006 20 0 DGADLP CS[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000346323452 264010825 /nfs/dbraw/zinc/01/08/25/264010825.db2.gz ISIHNEDXCGHTNR-QGZVFWFLSA-N 2 2 321.534 3.413 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000346326442 264011313 /nfs/dbraw/zinc/01/13/13/264011313.db2.gz HZSYDHNTYAVOCH-HNBVOPMISA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000346326442 264011315 /nfs/dbraw/zinc/01/13/15/264011315.db2.gz HZSYDHNTYAVOCH-HNBVOPMISA-N 2 2 315.505 3.112 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@@H+]1C ZINC000346344860 264014451 /nfs/dbraw/zinc/01/44/51/264014451.db2.gz WRTGVQCRQCPUDM-PHZSVIKTSA-N 2 2 302.462 3.491 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@H+]1C ZINC000346344860 264014454 /nfs/dbraw/zinc/01/44/54/264014454.db2.gz WRTGVQCRQCPUDM-PHZSVIKTSA-N 2 2 302.462 3.491 20 0 DGADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000346371873 264020365 /nfs/dbraw/zinc/02/03/65/264020365.db2.gz LVPKPVRZMNCFAB-GGPKGHCWSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000346371873 264020368 /nfs/dbraw/zinc/02/03/68/264020368.db2.gz LVPKPVRZMNCFAB-GGPKGHCWSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN(CCC[NH3+])c1cccc(F)c1 ZINC000346374110 264021254 /nfs/dbraw/zinc/02/12/54/264021254.db2.gz XDLSCALIVBJUJX-UHFFFAOYSA-N 2 2 312.392 3.137 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447091 264034050 /nfs/dbraw/zinc/03/40/50/264034050.db2.gz ANTNCOYBUFIEBJ-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000346447091 264034051 /nfs/dbraw/zinc/03/40/51/264034051.db2.gz ANTNCOYBUFIEBJ-BEFAXECRSA-N 2 2 313.420 3.242 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000346465834 264036938 /nfs/dbraw/zinc/03/69/38/264036938.db2.gz RQTBEGWXQWPBNI-VDGAXYAQSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000346465834 264036940 /nfs/dbraw/zinc/03/69/40/264036940.db2.gz RQTBEGWXQWPBNI-VDGAXYAQSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOCC(F)F ZINC000346479152 264039286 /nfs/dbraw/zinc/03/92/86/264039286.db2.gz GCBTUJWZRLSFDB-AWEZNQCLSA-N 2 2 323.387 3.091 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOCC(F)F ZINC000346479152 264039288 /nfs/dbraw/zinc/03/92/88/264039288.db2.gz GCBTUJWZRLSFDB-AWEZNQCLSA-N 2 2 323.387 3.091 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC[N@@H+]1C ZINC000346577771 264058036 /nfs/dbraw/zinc/05/80/36/264058036.db2.gz VRWRHXGKNOLKDC-LSBZLQRGSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC[N@H+]1C ZINC000346577771 264058038 /nfs/dbraw/zinc/05/80/38/264058038.db2.gz VRWRHXGKNOLKDC-LSBZLQRGSA-N 2 2 313.420 3.382 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346584385 264059504 /nfs/dbraw/zinc/05/95/04/264059504.db2.gz XHUAGHHXBKFEEO-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346584385 264059506 /nfs/dbraw/zinc/05/95/06/264059506.db2.gz XHUAGHHXBKFEEO-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@@H](CCC1CC1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000346596612 264061821 /nfs/dbraw/zinc/06/18/21/264061821.db2.gz OOFKKLHIKLBBNB-YOEHRIQHSA-N 2 2 302.466 3.213 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC([NH3+])CC1 ZINC000346634753 264069251 /nfs/dbraw/zinc/06/92/51/264069251.db2.gz GMGAAVYKYLKBPG-UHFFFAOYSA-N 2 2 307.457 3.375 20 0 DGADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346648320 264072901 /nfs/dbraw/zinc/07/29/01/264072901.db2.gz DJHYKUNFQDYMQJ-CABCVRRESA-N 2 2 321.428 3.057 20 0 DGADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000346648320 264072903 /nfs/dbraw/zinc/07/29/03/264072903.db2.gz DJHYKUNFQDYMQJ-CABCVRRESA-N 2 2 321.428 3.057 20 0 DGADLP COc1cc(Cl)c(C[N@H+](C)CC(C)(C)C[NH3+])cc1Cl ZINC000346695225 264081071 /nfs/dbraw/zinc/08/10/71/264081071.db2.gz ZBLCXRQXMZAFDM-UHFFFAOYSA-N 2 2 305.249 3.419 20 0 DGADLP COc1cc(Cl)c(C[N@@H+](C)CC(C)(C)C[NH3+])cc1Cl ZINC000346695225 264081073 /nfs/dbraw/zinc/08/10/73/264081073.db2.gz ZBLCXRQXMZAFDM-UHFFFAOYSA-N 2 2 305.249 3.419 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000346797563 264099061 /nfs/dbraw/zinc/09/90/61/264099061.db2.gz OETJNSUSRYSTHU-YZVOILCLSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000346797563 264099062 /nfs/dbraw/zinc/09/90/62/264099062.db2.gz OETJNSUSRYSTHU-YZVOILCLSA-N 3 2 312.461 3.314 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000346801785 264100662 /nfs/dbraw/zinc/10/06/62/264100662.db2.gz CKOHQQKFYBZVRW-NXHRZFHOSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000346801785 264100665 /nfs/dbraw/zinc/10/06/65/264100665.db2.gz CKOHQQKFYBZVRW-NXHRZFHOSA-N 2 2 319.518 3.167 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000346825941 264104789 /nfs/dbraw/zinc/10/47/89/264104789.db2.gz HCTIMCWQYJGKBT-CHIMOYNISA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000346825941 264104791 /nfs/dbraw/zinc/10/47/91/264104791.db2.gz HCTIMCWQYJGKBT-CHIMOYNISA-N 2 2 315.244 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346843579 264107662 /nfs/dbraw/zinc/10/76/62/264107662.db2.gz KHTYCCKTYULQLA-MRCXROJRSA-N 2 2 315.244 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346843579 264107664 /nfs/dbraw/zinc/10/76/64/264107664.db2.gz KHTYCCKTYULQLA-MRCXROJRSA-N 2 2 315.244 3.171 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000347009906 264139172 /nfs/dbraw/zinc/13/91/72/264139172.db2.gz SPYDHSRMTQFRCY-ZBFHGGJFSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000347009906 264139174 /nfs/dbraw/zinc/13/91/74/264139174.db2.gz SPYDHSRMTQFRCY-ZBFHGGJFSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1OCC ZINC000347032945 264143323 /nfs/dbraw/zinc/14/33/23/264143323.db2.gz AMCGEZCYNFZXCP-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1OCC ZINC000347032945 264143326 /nfs/dbraw/zinc/14/33/26/264143326.db2.gz AMCGEZCYNFZXCP-GDBMZVCRSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1C[NH3+] ZINC000347037024 264145213 /nfs/dbraw/zinc/14/52/13/264145213.db2.gz FPAGAXXWEGROQX-LIRRHRJNSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)[C@H]1C[NH3+] ZINC000347037024 264145215 /nfs/dbraw/zinc/14/52/15/264145215.db2.gz FPAGAXXWEGROQX-LIRRHRJNSA-N 2 2 313.420 3.447 20 0 DGADLP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347039741 264146360 /nfs/dbraw/zinc/14/63/60/264146360.db2.gz WRGGHWSGHGCETK-KRWDZBQOSA-N 2 2 317.477 3.015 20 0 DGADLP COc1nc(C)cc(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000347039741 264146361 /nfs/dbraw/zinc/14/63/61/264146361.db2.gz WRGGHWSGHGCETK-KRWDZBQOSA-N 2 2 317.477 3.015 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000347065471 264150944 /nfs/dbraw/zinc/15/09/44/264150944.db2.gz LMGYIOMCXZHHCP-DOMZBBRYSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000347065471 264150946 /nfs/dbraw/zinc/15/09/46/264150946.db2.gz LMGYIOMCXZHHCP-DOMZBBRYSA-N 2 2 316.367 3.187 20 0 DGADLP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347066948 264150975 /nfs/dbraw/zinc/15/09/75/264150975.db2.gz ATKWGHBTCFXLMN-GOSISDBHSA-N 2 2 312.413 3.231 20 0 DGADLP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347066948 264150977 /nfs/dbraw/zinc/15/09/77/264150977.db2.gz ATKWGHBTCFXLMN-GOSISDBHSA-N 2 2 312.413 3.231 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1OC(F)F ZINC000347100539 264156348 /nfs/dbraw/zinc/15/63/48/264156348.db2.gz LHUXSYZKYWPXAS-CABCVRRESA-N 2 2 310.388 3.231 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(C)c1OC(F)F ZINC000347100539 264156350 /nfs/dbraw/zinc/15/63/50/264156350.db2.gz LHUXSYZKYWPXAS-CABCVRRESA-N 2 2 310.388 3.231 20 0 DGADLP CCOc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1OC ZINC000347112642 264158752 /nfs/dbraw/zinc/15/87/52/264158752.db2.gz RDPSWSKTZNVAQB-UHFFFAOYSA-N 2 2 318.461 3.058 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ncccc12 ZINC000347122715 264160759 /nfs/dbraw/zinc/16/07/59/264160759.db2.gz HAWVKRDDKJHREE-MRXNPFEDSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ncccc12 ZINC000347122715 264160762 /nfs/dbraw/zinc/16/07/62/264160762.db2.gz HAWVKRDDKJHREE-MRXNPFEDSA-N 2 2 323.371 3.422 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347168258 264168463 /nfs/dbraw/zinc/16/84/63/264168463.db2.gz LWNYQSNFDIIZOR-HNNXBMFYSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347168258 264168465 /nfs/dbraw/zinc/16/84/65/264168465.db2.gz LWNYQSNFDIIZOR-HNNXBMFYSA-N 2 2 309.251 3.084 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187950 264171998 /nfs/dbraw/zinc/17/19/98/264171998.db2.gz CTNCRJNLDOOLEG-IEBWSBKVSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187950 264172001 /nfs/dbraw/zinc/17/20/01/264172001.db2.gz CTNCRJNLDOOLEG-IEBWSBKVSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347187950 264172003 /nfs/dbraw/zinc/17/20/03/264172003.db2.gz CTNCRJNLDOOLEG-IEBWSBKVSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187950 264172006 /nfs/dbraw/zinc/17/20/06/264172006.db2.gz CTNCRJNLDOOLEG-IEBWSBKVSA-N 3 2 317.521 3.204 20 0 DGADLP CCC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000347205557 264175686 /nfs/dbraw/zinc/17/56/86/264175686.db2.gz LTARGOFMBIRGLO-INIZCTEOSA-N 2 2 306.450 3.056 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000347205557 264175688 /nfs/dbraw/zinc/17/56/88/264175688.db2.gz LTARGOFMBIRGLO-INIZCTEOSA-N 2 2 306.450 3.056 20 0 DGADLP COCc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000347236044 264181094 /nfs/dbraw/zinc/18/10/94/264181094.db2.gz OFUOVVYHSVSVMZ-UHFFFAOYSA-N 2 2 306.450 3.170 20 0 DGADLP COC1CC([NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000347239586 264181672 /nfs/dbraw/zinc/18/16/72/264181672.db2.gz SIMBFCGYJZYBES-UYSNPLJNSA-N 2 2 308.491 3.288 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)Cc1c[nH+]c2ccccn12 ZINC000347308878 264194491 /nfs/dbraw/zinc/19/44/91/264194491.db2.gz KVWZAAIBSBZASG-UHFFFAOYSA-N 2 2 300.450 3.032 20 0 DGADLP CC[NH+](CC)CCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347348082 264202098 /nfs/dbraw/zinc/20/20/98/264202098.db2.gz TUWLICBTQNXLTA-IAGOWNOFSA-N 2 2 322.518 3.219 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347348082 264202101 /nfs/dbraw/zinc/20/21/01/264202101.db2.gz TUWLICBTQNXLTA-IAGOWNOFSA-N 2 2 322.518 3.219 20 0 DGADLP CC[NH+](CC)CCC[N@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347348086 264202537 /nfs/dbraw/zinc/20/25/37/264202537.db2.gz TUWLICBTQNXLTA-IRXDYDNUSA-N 2 2 322.518 3.219 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347348086 264202539 /nfs/dbraw/zinc/20/25/39/264202539.db2.gz TUWLICBTQNXLTA-IRXDYDNUSA-N 2 2 322.518 3.219 20 0 DGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(OC)cc1 ZINC000347660814 264262263 /nfs/dbraw/zinc/26/22/63/264262263.db2.gz YKPINHHKKKAHEM-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(OC)cc1 ZINC000347660814 264262266 /nfs/dbraw/zinc/26/22/66/264262266.db2.gz YKPINHHKKKAHEM-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347861912 264297730 /nfs/dbraw/zinc/29/77/30/264297730.db2.gz VQIHIWDPDRFGQG-INIZCTEOSA-N 2 2 318.490 3.270 20 0 DGADLP Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347861912 264297732 /nfs/dbraw/zinc/29/77/32/264297732.db2.gz VQIHIWDPDRFGQG-INIZCTEOSA-N 2 2 318.490 3.270 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OC)c1C ZINC000347913750 264304769 /nfs/dbraw/zinc/30/47/69/264304769.db2.gz GFCJPBDKAUOFPP-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OC)c1C ZINC000347913750 264304771 /nfs/dbraw/zinc/30/47/71/264304771.db2.gz GFCJPBDKAUOFPP-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(OC)c1C ZINC000347913750 264304773 /nfs/dbraw/zinc/30/47/73/264304773.db2.gz GFCJPBDKAUOFPP-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(OC)c1C ZINC000347913750 264304775 /nfs/dbraw/zinc/30/47/75/264304775.db2.gz GFCJPBDKAUOFPP-SJORKVTESA-N 2 2 318.461 3.071 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000347914480 264304985 /nfs/dbraw/zinc/30/49/85/264304985.db2.gz CFNNTGLQSOVJNK-UHFFFAOYSA-N 2 2 314.820 3.414 20 0 DGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000348185807 264359330 /nfs/dbraw/zinc/35/93/30/264359330.db2.gz KTADGSQWYVMRFT-WCQYABFASA-N 2 2 305.422 3.410 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000348184081 264359585 /nfs/dbraw/zinc/35/95/85/264359585.db2.gz FMCGYOSIBXYKAS-YOEHRIQHSA-N 3 2 321.428 3.043 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348241160 264372278 /nfs/dbraw/zinc/37/22/78/264372278.db2.gz QQCYMVZHJWRIDQ-KRWDZBQOSA-N 2 2 317.408 3.012 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348241160 264372280 /nfs/dbraw/zinc/37/22/80/264372280.db2.gz QQCYMVZHJWRIDQ-KRWDZBQOSA-N 2 2 317.408 3.012 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348260689 264377227 /nfs/dbraw/zinc/37/72/27/264377227.db2.gz DUIFNYQNIBOPGV-MJGOQNOKSA-N 2 2 316.489 3.269 20 0 DGADLP CC[C@H]1CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000348374999 264398859 /nfs/dbraw/zinc/39/88/59/264398859.db2.gz GWMMSUYODKMGJV-WMLDXEAASA-N 2 2 302.466 3.213 20 0 DGADLP Clc1cnc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000349614451 264534718 /nfs/dbraw/zinc/53/47/18/264534718.db2.gz UGTASSJFGSFOJR-UHFFFAOYSA-N 2 2 318.833 3.331 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1ccncc1 ZINC000351595668 264745364 /nfs/dbraw/zinc/74/53/64/264745364.db2.gz RRZCQONDVOWPQC-FQEVSTJZSA-N 2 2 311.473 3.370 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1ccncc1 ZINC000351595668 264745366 /nfs/dbraw/zinc/74/53/66/264745366.db2.gz RRZCQONDVOWPQC-FQEVSTJZSA-N 2 2 311.473 3.370 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352488246 265067353 /nfs/dbraw/zinc/06/73/53/265067353.db2.gz NVANRIZYNGFINW-SNVBAGLBSA-N 2 2 307.385 3.174 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352488246 265067356 /nfs/dbraw/zinc/06/73/56/265067356.db2.gz NVANRIZYNGFINW-SNVBAGLBSA-N 2 2 307.385 3.174 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000352525192 265078976 /nfs/dbraw/zinc/07/89/76/265078976.db2.gz FLXQDEWBFIDCQJ-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000352525192 265078979 /nfs/dbraw/zinc/07/89/79/265078979.db2.gz FLXQDEWBFIDCQJ-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352526063 265079310 /nfs/dbraw/zinc/07/93/10/265079310.db2.gz JVWWORNTHBHMEK-IBGZPJMESA-N 2 2 312.461 3.022 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352526063 265079314 /nfs/dbraw/zinc/07/93/14/265079314.db2.gz JVWWORNTHBHMEK-IBGZPJMESA-N 2 2 312.461 3.022 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000352526212 265079713 /nfs/dbraw/zinc/07/97/13/265079713.db2.gz LMVYBYUHVWAVGF-GOSISDBHSA-N 2 2 324.415 3.480 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(OC(F)F)cc1C ZINC000352526212 265079715 /nfs/dbraw/zinc/07/97/15/265079715.db2.gz LMVYBYUHVWAVGF-GOSISDBHSA-N 2 2 324.415 3.480 20 0 DGADLP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000352685796 265129161 /nfs/dbraw/zinc/12/91/61/265129161.db2.gz WJHACJSNDCIVNO-ZWKOTPCHSA-N 2 2 313.445 3.247 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1F ZINC000352722489 265141508 /nfs/dbraw/zinc/14/15/08/265141508.db2.gz DPLPFNRHFRJGMI-UHFFFAOYSA-N 2 2 324.346 3.161 20 0 DGADLP Cc1ccccc1O[C@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352778568 265162818 /nfs/dbraw/zinc/16/28/18/265162818.db2.gz VQLFKNLTFSLVAI-CQSZACIVSA-N 2 2 319.474 3.070 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc(F)cc3)CC2)s1 ZINC000352781960 265164808 /nfs/dbraw/zinc/16/48/08/265164808.db2.gz ZWQSVGVVBQOJMM-UHFFFAOYSA-N 2 2 305.422 3.123 20 0 DGADLP COc1cccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352816862 265179469 /nfs/dbraw/zinc/17/94/69/265179469.db2.gz MONDPWBLEYMRMO-LBPRGKRZSA-N 2 2 305.447 3.064 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000352857120 265200339 /nfs/dbraw/zinc/20/03/39/265200339.db2.gz IHPYXVDRWRNAER-FESITFKDSA-N 2 2 302.462 3.309 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000352857120 265200340 /nfs/dbraw/zinc/20/03/40/265200340.db2.gz IHPYXVDRWRNAER-FESITFKDSA-N 2 2 302.462 3.309 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930466 265234782 /nfs/dbraw/zinc/23/47/82/265234782.db2.gz KRLIATBIOZVDAP-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930466 265234788 /nfs/dbraw/zinc/23/47/88/265234788.db2.gz KRLIATBIOZVDAP-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930466 265234791 /nfs/dbraw/zinc/23/47/91/265234791.db2.gz KRLIATBIOZVDAP-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)[C@@H]2C1 ZINC000352930466 265234794 /nfs/dbraw/zinc/23/47/94/265234794.db2.gz KRLIATBIOZVDAP-DZGCQCFKSA-N 2 2 314.351 3.111 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001993 265260753 /nfs/dbraw/zinc/26/07/53/265260753.db2.gz RTILNTPWGMFQBM-AEFFLSMTSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001993 265260755 /nfs/dbraw/zinc/26/07/55/265260755.db2.gz RTILNTPWGMFQBM-AEFFLSMTSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001993 265260757 /nfs/dbraw/zinc/26/07/57/265260757.db2.gz RTILNTPWGMFQBM-AEFFLSMTSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)[C@H]2C1 ZINC000353001993 265260763 /nfs/dbraw/zinc/26/07/63/265260763.db2.gz RTILNTPWGMFQBM-AEFFLSMTSA-N 2 2 300.446 3.001 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1O ZINC000353265650 265368964 /nfs/dbraw/zinc/36/89/64/265368964.db2.gz ZFBOVDJVZVUFIY-HIFRSBDPSA-N 2 2 315.417 3.134 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000355219244 266004140 /nfs/dbraw/zinc/00/41/40/266004140.db2.gz LQKXQVVAKNNPIE-OAQYLSRUSA-N 3 2 323.484 3.434 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000355219244 266004146 /nfs/dbraw/zinc/00/41/46/266004146.db2.gz LQKXQVVAKNNPIE-OAQYLSRUSA-N 3 2 323.484 3.434 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000355517485 266100196 /nfs/dbraw/zinc/10/01/96/266100196.db2.gz RLXHBPHJCAQFGJ-INIZCTEOSA-N 2 2 313.445 3.408 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2nc3ccc(OC)cc3s2)CC1 ZINC000355610329 266131749 /nfs/dbraw/zinc/13/17/49/266131749.db2.gz UDFULQBGOHWKRR-UHFFFAOYSA-N 2 2 319.474 3.221 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2nc3ccc(OC)cc3s2)CC1 ZINC000355610329 266131752 /nfs/dbraw/zinc/13/17/52/266131752.db2.gz UDFULQBGOHWKRR-UHFFFAOYSA-N 2 2 319.474 3.221 20 0 DGADLP CCc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000603390242 425066201 /nfs/dbraw/zinc/06/62/01/425066201.db2.gz FQVRDFZRUWYWBY-KRWDZBQOSA-N 2 2 310.445 3.016 20 0 DGADLP CCc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000603390242 425066202 /nfs/dbraw/zinc/06/62/02/425066202.db2.gz FQVRDFZRUWYWBY-KRWDZBQOSA-N 2 2 310.445 3.016 20 0 DGADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000367609941 271050545 /nfs/dbraw/zinc/05/05/45/271050545.db2.gz YRGGJEQQGPDLOI-GBESFXJTSA-N 2 2 313.445 3.214 20 0 DGADLP c1c[nH]c([C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CCCCC2)n1 ZINC000367618929 271052354 /nfs/dbraw/zinc/05/23/54/271052354.db2.gz ULBYQVKBEXEXBY-QGZVFWFLSA-N 2 2 313.449 3.354 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000367701420 271067270 /nfs/dbraw/zinc/06/72/70/271067270.db2.gz KPTSTHCLYIMTGT-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000367701420 271067273 /nfs/dbraw/zinc/06/72/73/271067273.db2.gz KPTSTHCLYIMTGT-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000367813666 271080051 /nfs/dbraw/zinc/08/00/51/271080051.db2.gz HOCUVVRUEGCARX-HZPDHXFCSA-N 2 2 321.465 3.136 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000367813666 271080055 /nfs/dbraw/zinc/08/00/55/271080055.db2.gz HOCUVVRUEGCARX-HZPDHXFCSA-N 2 2 321.465 3.136 20 0 DGADLP Clc1nccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000367972578 271105273 /nfs/dbraw/zinc/10/52/73/271105273.db2.gz LDYKWNKUKMGBRH-VXGBXAGGSA-N 2 2 300.233 3.105 20 0 DGADLP Clc1nccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000367972578 271105279 /nfs/dbraw/zinc/10/52/79/271105279.db2.gz LDYKWNKUKMGBRH-VXGBXAGGSA-N 2 2 300.233 3.105 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000368029504 271119028 /nfs/dbraw/zinc/11/90/28/271119028.db2.gz JMRRYOQEYNQXHB-VQIMIIECSA-N 2 2 323.440 3.106 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC000368036655 271121448 /nfs/dbraw/zinc/12/14/48/271121448.db2.gz ASPHEJUAFOEHOE-UYSNPLJNSA-N 2 2 320.481 3.114 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC000368036655 271121451 /nfs/dbraw/zinc/12/14/51/271121451.db2.gz ASPHEJUAFOEHOE-UYSNPLJNSA-N 2 2 320.481 3.114 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000368652204 271187976 /nfs/dbraw/zinc/18/79/76/271187976.db2.gz YQVKYQMLTAOUBT-GFCCVEGCSA-N 2 2 305.447 3.183 20 0 DGADLP CC(C)c1nc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)no1 ZINC000368733127 271200639 /nfs/dbraw/zinc/20/06/39/271200639.db2.gz NSWACVGEIGSKAB-UHFFFAOYSA-N 2 2 320.481 3.248 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000369186686 271249578 /nfs/dbraw/zinc/24/95/78/271249578.db2.gz FATFQIMHEIOWGX-SFHVURJKSA-N 2 2 304.482 3.223 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000369186686 271249582 /nfs/dbraw/zinc/24/95/82/271249582.db2.gz FATFQIMHEIOWGX-SFHVURJKSA-N 2 2 304.482 3.223 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369511139 271286137 /nfs/dbraw/zinc/28/61/37/271286137.db2.gz LHIKUCCJNLPQFM-OAHLLOKOSA-N 2 2 300.406 3.071 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369511139 271286139 /nfs/dbraw/zinc/28/61/39/271286139.db2.gz LHIKUCCJNLPQFM-OAHLLOKOSA-N 2 2 300.406 3.071 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000247884255 432252342 /nfs/dbraw/zinc/25/23/42/432252342.db2.gz CKSJHARDLWROTA-MAUKXSAKSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000247884255 432252346 /nfs/dbraw/zinc/25/23/46/432252346.db2.gz CKSJHARDLWROTA-MAUKXSAKSA-N 2 2 315.486 3.186 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1c(F)cccc1Br ZINC000261553535 273550675 /nfs/dbraw/zinc/55/06/75/273550675.db2.gz NXXYTKZEEXUECM-CYBMUJFWSA-N 2 2 303.219 3.051 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000247976741 432257922 /nfs/dbraw/zinc/25/79/22/432257922.db2.gz LACWOOFIXPWBBF-BEFAXECRSA-N 3 2 312.461 3.316 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000247976741 432257926 /nfs/dbraw/zinc/25/79/26/432257926.db2.gz LACWOOFIXPWBBF-BEFAXECRSA-N 3 2 312.461 3.316 20 0 DGADLP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000247976741 432257930 /nfs/dbraw/zinc/25/79/30/432257930.db2.gz LACWOOFIXPWBBF-BEFAXECRSA-N 2 2 312.461 3.316 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475436 274109420 /nfs/dbraw/zinc/10/94/20/274109420.db2.gz BIMPMJFJTKLYGO-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475436 274109421 /nfs/dbraw/zinc/10/94/21/274109421.db2.gz BIMPMJFJTKLYGO-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475436 274109422 /nfs/dbraw/zinc/10/94/22/274109422.db2.gz BIMPMJFJTKLYGO-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000342475436 274109423 /nfs/dbraw/zinc/10/94/23/274109423.db2.gz BIMPMJFJTKLYGO-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)CC3 ZINC000427882679 274766769 /nfs/dbraw/zinc/76/67/69/274766769.db2.gz OPFNZUPEFFLOKQ-GJZGRUSLSA-N 2 2 320.440 3.135 20 0 DGADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245180 275370506 /nfs/dbraw/zinc/37/05/06/275370506.db2.gz YGXBDNAZZALZNO-ZFWWWQNUSA-N 2 2 309.251 3.168 20 0 DGADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423183254 275370708 /nfs/dbraw/zinc/37/07/08/275370708.db2.gz HMNZXZRNBDJJFA-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000414073606 275525618 /nfs/dbraw/zinc/52/56/18/275525618.db2.gz WBNSFQMUPBTCOA-HOTGVXAUSA-N 2 2 319.493 3.334 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422820645 275570779 /nfs/dbraw/zinc/57/07/79/275570779.db2.gz RPKIEPDRGKGEFD-PMACEKPBSA-N 3 2 315.505 3.190 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)c2ccccc21 ZINC000447543996 275687011 /nfs/dbraw/zinc/68/70/11/275687011.db2.gz SNOPNIWHSDPJPA-LSTHTHJFSA-N 2 2 316.489 3.429 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000261556760 275718052 /nfs/dbraw/zinc/71/80/52/275718052.db2.gz QZNHOZLCSLQAHE-ZDUSSCGKSA-N 2 2 303.219 3.051 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C12CCCC2 ZINC000344115372 276352176 /nfs/dbraw/zinc/35/21/76/276352176.db2.gz XDYCRVPEPGUCGY-YESZJQIVSA-N 2 2 317.477 3.396 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443923 277061925 /nfs/dbraw/zinc/06/19/25/277061925.db2.gz XNZJEYMWMOYHPV-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443923 277061926 /nfs/dbraw/zinc/06/19/26/277061926.db2.gz XNZJEYMWMOYHPV-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443923 277061927 /nfs/dbraw/zinc/06/19/27/277061927.db2.gz XNZJEYMWMOYHPV-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000247443923 277061928 /nfs/dbraw/zinc/06/19/28/277061928.db2.gz XNZJEYMWMOYHPV-UYAOXDASSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203287 277177757 /nfs/dbraw/zinc/17/77/57/277177757.db2.gz VUKFBOBPKJZDDX-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203287 277177759 /nfs/dbraw/zinc/17/77/59/277177759.db2.gz VUKFBOBPKJZDDX-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203287 277177761 /nfs/dbraw/zinc/17/77/61/277177761.db2.gz VUKFBOBPKJZDDX-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)[C@H]2C1 ZINC000495203287 277177763 /nfs/dbraw/zinc/17/77/63/277177763.db2.gz VUKFBOBPKJZDDX-WMZOPIPTSA-N 2 2 314.473 3.316 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000459669247 277193600 /nfs/dbraw/zinc/19/36/00/277193600.db2.gz CVYANSHBWQFYNT-BARLLCKDSA-N 2 2 302.462 3.369 20 0 DGADLP COC1CCC([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000459669247 277193602 /nfs/dbraw/zinc/19/36/02/277193602.db2.gz CVYANSHBWQFYNT-BARLLCKDSA-N 2 2 302.462 3.369 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415130973 277363871 /nfs/dbraw/zinc/36/38/71/277363871.db2.gz ROZARFBVPRCJCM-JQWIXIFHSA-N 2 2 317.260 3.419 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415130973 277363872 /nfs/dbraw/zinc/36/38/72/277363872.db2.gz ROZARFBVPRCJCM-JQWIXIFHSA-N 2 2 317.260 3.419 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CS1 ZINC000488451778 277821637 /nfs/dbraw/zinc/82/16/37/277821637.db2.gz UAEXUDDRGIEBIF-ROUUACIJSA-N 2 2 318.530 3.205 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CCO2 ZINC000320114461 277988224 /nfs/dbraw/zinc/98/82/24/277988224.db2.gz XBFQKPNHWOUHSB-QGZVFWFLSA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c2[nH+]ccn21 ZINC000296343335 278027553 /nfs/dbraw/zinc/02/75/53/278027553.db2.gz HCTDAVNPKRCENR-KCXAZCMYSA-N 2 2 318.852 3.435 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414942179 278051101 /nfs/dbraw/zinc/05/11/01/278051101.db2.gz BJQSDROAIBZNCF-KXBFYZLASA-N 2 2 310.441 3.103 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422842302 278274585 /nfs/dbraw/zinc/27/45/85/278274585.db2.gz XZEHTZMUQNIECC-XYJFISCASA-N 3 2 324.472 3.198 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422842302 278274586 /nfs/dbraw/zinc/27/45/86/278274586.db2.gz XZEHTZMUQNIECC-XYJFISCASA-N 3 2 324.472 3.198 20 0 DGADLP C[C@@H]([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000420298145 278308795 /nfs/dbraw/zinc/30/87/95/278308795.db2.gz GVISWPUYLKHBGU-SNVBAGLBSA-N 2 2 309.866 3.476 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000125580503 278332108 /nfs/dbraw/zinc/33/21/08/278332108.db2.gz JQMOMQMDRWVGIS-WMZOPIPTSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000125580503 278332110 /nfs/dbraw/zinc/33/21/10/278332110.db2.gz JQMOMQMDRWVGIS-WMZOPIPTSA-N 2 2 312.461 3.353 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1Br ZINC000427883929 278388331 /nfs/dbraw/zinc/38/83/31/278388331.db2.gz GOKNAQLUTIGCSM-NEPJUHHUSA-N 2 2 320.234 3.311 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000480277259 278673658 /nfs/dbraw/zinc/67/36/58/278673658.db2.gz KKSZHFMUAVUMEC-KURKYZTESA-N 2 2 304.478 3.453 20 0 DGADLP C[C@@H]1Cc2c([nH+]cn2Cc2[nH+]ccn2CC(F)(F)F)C[C@@H]1C ZINC000336863773 279010856 /nfs/dbraw/zinc/01/08/56/279010856.db2.gz CVKQSJPSRIWASW-WDEREUQCSA-N 2 2 312.339 3.061 20 0 DGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152837822 279013599 /nfs/dbraw/zinc/01/35/99/279013599.db2.gz NPOOGWZFLBFLTD-BFUOFWGJSA-N 2 2 313.420 3.424 20 0 DGADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000481244059 279033485 /nfs/dbraw/zinc/03/34/85/279033485.db2.gz ZKZQUWRDGURDIS-WBVHZDCISA-N 2 2 308.441 3.402 20 0 DGADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000481244059 279033489 /nfs/dbraw/zinc/03/34/89/279033489.db2.gz ZKZQUWRDGURDIS-WBVHZDCISA-N 2 2 308.441 3.402 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000344769219 279121182 /nfs/dbraw/zinc/12/11/82/279121182.db2.gz JPUUKBJGQIDVFM-HOTGVXAUSA-N 2 2 322.449 3.056 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C[NH+]1CCCC1 ZINC000449088442 279353870 /nfs/dbraw/zinc/35/38/70/279353870.db2.gz IKDQOMKIRXTRLO-RISCZKNCSA-N 2 2 312.379 3.413 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000422715666 279369348 /nfs/dbraw/zinc/36/93/48/279369348.db2.gz SNNVRSGHYXOSKR-VBSBHUPXSA-N 2 2 316.489 3.145 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858844 431227867 /nfs/dbraw/zinc/22/78/67/431227867.db2.gz UITCZAONLHORDD-AZUAARDMSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858844 431227871 /nfs/dbraw/zinc/22/78/71/431227871.db2.gz UITCZAONLHORDD-AZUAARDMSA-N 2 2 316.489 3.052 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857888 431229500 /nfs/dbraw/zinc/22/95/00/431229500.db2.gz BQCRDHKWZGWHJI-JKSUJKDBSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857888 431229503 /nfs/dbraw/zinc/22/95/03/431229503.db2.gz BQCRDHKWZGWHJI-JKSUJKDBSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268698033 279538215 /nfs/dbraw/zinc/53/82/15/279538215.db2.gz CXJYAKJCEXPBSL-KSSFIOAISA-N 2 2 321.428 3.334 20 0 DGADLP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269078069 279554800 /nfs/dbraw/zinc/55/48/00/279554800.db2.gz NXNFMOWRONQNLJ-GKCIPKSASA-N 2 2 319.408 3.181 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1ccncc1)[N@@H+]1CCc2ccccc2C1 ZINC000075675301 431492899 /nfs/dbraw/zinc/49/28/99/431492899.db2.gz FLEQRIMSSSKJKG-FQEVSTJZSA-N 2 2 309.457 3.254 20 0 DGADLP CC(C)[C@H](C[NH2+]Cc1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000075675301 431492907 /nfs/dbraw/zinc/49/29/07/431492907.db2.gz FLEQRIMSSSKJKG-FQEVSTJZSA-N 2 2 309.457 3.254 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192034742 280085681 /nfs/dbraw/zinc/08/56/81/280085681.db2.gz HEHIZTUFMYRBQY-HOTGVXAUSA-N 2 2 310.482 3.057 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192034742 280085683 /nfs/dbraw/zinc/08/56/83/280085683.db2.gz HEHIZTUFMYRBQY-HOTGVXAUSA-N 2 2 310.482 3.057 20 0 DGADLP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000117878474 431583180 /nfs/dbraw/zinc/58/31/80/431583180.db2.gz GBPMXCGZKLYPQK-QGZVFWFLSA-N 2 2 310.482 3.060 20 0 DGADLP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000117878474 431583183 /nfs/dbraw/zinc/58/31/83/431583183.db2.gz GBPMXCGZKLYPQK-QGZVFWFLSA-N 2 2 310.482 3.060 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000117970482 431586162 /nfs/dbraw/zinc/58/61/62/431586162.db2.gz NOVAZDYILNOWBX-KFWWJZLASA-N 2 2 312.417 3.072 20 0 DGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(Br)cs1 ZINC000119138340 431653938 /nfs/dbraw/zinc/65/39/38/431653938.db2.gz JEZGDJHESQCZNT-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(Br)cs1 ZINC000119138340 431653941 /nfs/dbraw/zinc/65/39/41/431653941.db2.gz JEZGDJHESQCZNT-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cc(Br)cs1 ZINC000119138340 431653947 /nfs/dbraw/zinc/65/39/47/431653947.db2.gz JEZGDJHESQCZNT-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cc(Br)cs1 ZINC000119138340 431653953 /nfs/dbraw/zinc/65/39/53/431653953.db2.gz JEZGDJHESQCZNT-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167743 431656575 /nfs/dbraw/zinc/65/65/75/431656575.db2.gz UBOYFSJFNIVZKE-YPMHNXCESA-N 2 2 302.340 3.015 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000119167743 431656581 /nfs/dbraw/zinc/65/65/81/431656581.db2.gz UBOYFSJFNIVZKE-YPMHNXCESA-N 2 2 302.340 3.015 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841606 431622268 /nfs/dbraw/zinc/62/22/68/431622268.db2.gz KYVPRTIYBFMQJR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841606 431622273 /nfs/dbraw/zinc/62/22/73/431622273.db2.gz KYVPRTIYBFMQJR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841606 431622279 /nfs/dbraw/zinc/62/22/79/431622279.db2.gz KYVPRTIYBFMQJR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841606 431622286 /nfs/dbraw/zinc/62/22/86/431622286.db2.gz KYVPRTIYBFMQJR-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000119351983 431681142 /nfs/dbraw/zinc/68/11/42/431681142.db2.gz RPCXYMMLEHWLAK-MRXNPFEDSA-N 2 2 324.428 3.128 20 0 DGADLP Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000119351983 431681147 /nfs/dbraw/zinc/68/11/47/431681147.db2.gz RPCXYMMLEHWLAK-MRXNPFEDSA-N 2 2 324.428 3.128 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121052409 431741854 /nfs/dbraw/zinc/74/18/54/431741854.db2.gz YBSREYRWIHZJIW-ICSRJNTNSA-N 2 2 324.472 3.224 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183200 431750150 /nfs/dbraw/zinc/75/01/50/431750150.db2.gz HYOXQDVLBRLHCR-GJZGRUSLSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183200 431750154 /nfs/dbraw/zinc/75/01/54/431750154.db2.gz HYOXQDVLBRLHCR-GJZGRUSLSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183200 431750158 /nfs/dbraw/zinc/75/01/58/431750158.db2.gz HYOXQDVLBRLHCR-GJZGRUSLSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000121183200 431750163 /nfs/dbraw/zinc/75/01/63/431750163.db2.gz HYOXQDVLBRLHCR-GJZGRUSLSA-N 2 2 322.449 3.099 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000085798258 431841372 /nfs/dbraw/zinc/84/13/72/431841372.db2.gz UTMQLIBLROOTEC-GOSISDBHSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000085798258 431841373 /nfs/dbraw/zinc/84/13/73/431841373.db2.gz UTMQLIBLROOTEC-GOSISDBHSA-N 2 2 317.477 3.034 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cncc(F)c1 ZINC000122799522 431844553 /nfs/dbraw/zinc/84/45/53/431844553.db2.gz LJEZBNNAUYQWKJ-OAHLLOKOSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cncc(F)c1 ZINC000122799522 431844555 /nfs/dbraw/zinc/84/45/55/431844555.db2.gz LJEZBNNAUYQWKJ-OAHLLOKOSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037157987 431845220 /nfs/dbraw/zinc/84/52/20/431845220.db2.gz BBHKRAPXQLMZBB-RYUDHWBXSA-N 2 2 308.223 3.385 20 0 DGADLP Brc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408239 431846598 /nfs/dbraw/zinc/84/65/98/431846598.db2.gz XIDNCOXFDXXNLQ-GFCCVEGCSA-N 2 2 309.251 3.023 20 0 DGADLP Brc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408239 431846599 /nfs/dbraw/zinc/84/65/99/431846599.db2.gz XIDNCOXFDXXNLQ-GFCCVEGCSA-N 2 2 309.251 3.023 20 0 DGADLP Cc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000037505247 431847423 /nfs/dbraw/zinc/84/74/23/431847423.db2.gz ZGEPOJFLCSLLLX-UHFFFAOYSA-N 2 2 301.459 3.206 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000037644971 431848485 /nfs/dbraw/zinc/84/84/85/431848485.db2.gz DWMWXTPKWJPITQ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000037644971 431848487 /nfs/dbraw/zinc/84/84/87/431848487.db2.gz DWMWXTPKWJPITQ-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000037988324 431852174 /nfs/dbraw/zinc/85/21/74/431852174.db2.gz GXAPKVCXCLWIIQ-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP COC(=O)c1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)s1 ZINC000089131291 431860447 /nfs/dbraw/zinc/86/04/47/431860447.db2.gz SBPUOSTXRRPEJL-OAHLLOKOSA-N 2 2 324.490 3.149 20 0 DGADLP COC(=O)c1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)s1 ZINC000089131291 431860448 /nfs/dbraw/zinc/86/04/48/431860448.db2.gz SBPUOSTXRRPEJL-OAHLLOKOSA-N 2 2 324.490 3.149 20 0 DGADLP COC(=O)c1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)s1 ZINC000089131291 431860451 /nfs/dbraw/zinc/86/04/51/431860451.db2.gz SBPUOSTXRRPEJL-OAHLLOKOSA-N 2 2 324.490 3.149 20 0 DGADLP COC(=O)c1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)s1 ZINC000089131291 431860452 /nfs/dbraw/zinc/86/04/52/431860452.db2.gz SBPUOSTXRRPEJL-OAHLLOKOSA-N 2 2 324.490 3.149 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089427875 431865329 /nfs/dbraw/zinc/86/53/29/431865329.db2.gz GLEUGTCZGRRNJM-NEPXVJNWSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089427875 431865332 /nfs/dbraw/zinc/86/53/32/431865332.db2.gz GLEUGTCZGRRNJM-NEPXVJNWSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000089427875 431865333 /nfs/dbraw/zinc/86/53/33/431865333.db2.gz GLEUGTCZGRRNJM-NEPXVJNWSA-N 2 2 302.462 3.321 20 0 DGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000089427875 431865336 /nfs/dbraw/zinc/86/53/36/431865336.db2.gz GLEUGTCZGRRNJM-NEPXVJNWSA-N 2 2 302.462 3.321 20 0 DGADLP Cc1cc(NC[C@H](c2ccccc2Cl)[NH+](C)C)nc(C)[nH+]1 ZINC000043532986 431869742 /nfs/dbraw/zinc/86/97/42/431869742.db2.gz XBHFXMCYJFOFAN-OAHLLOKOSA-N 2 2 304.825 3.462 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000123641006 431870913 /nfs/dbraw/zinc/87/09/13/431870913.db2.gz BLPYBNXHRMVOGE-AWEZNQCLSA-N 2 2 316.449 3.160 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000123641006 431870914 /nfs/dbraw/zinc/87/09/14/431870914.db2.gz BLPYBNXHRMVOGE-AWEZNQCLSA-N 2 2 316.449 3.160 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000122301436 431825496 /nfs/dbraw/zinc/82/54/96/431825496.db2.gz OHPFBOLOQLZJEV-AAEUAGOBSA-N 2 2 302.340 3.144 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)CC[C@@H]1[NH3+] ZINC000122301436 431825498 /nfs/dbraw/zinc/82/54/98/431825498.db2.gz OHPFBOLOQLZJEV-AAEUAGOBSA-N 2 2 302.340 3.144 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122325763 431828041 /nfs/dbraw/zinc/82/80/41/431828041.db2.gz LGMZBWRFINIRCU-HKUYNNGSSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000122325763 431828046 /nfs/dbraw/zinc/82/80/46/431828046.db2.gz LGMZBWRFINIRCU-HKUYNNGSSA-N 2 2 324.472 3.052 20 0 DGADLP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017708 431913002 /nfs/dbraw/zinc/91/30/02/431913002.db2.gz RIFDKUQHUKPSIV-BXWQOUMASA-N 2 2 314.473 3.134 20 0 DGADLP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017708 431913003 /nfs/dbraw/zinc/91/30/03/431913003.db2.gz RIFDKUQHUKPSIV-BXWQOUMASA-N 2 2 314.473 3.134 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000125196544 431917729 /nfs/dbraw/zinc/91/77/29/431917729.db2.gz PGQDGLHQFXABCG-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000125196544 431917732 /nfs/dbraw/zinc/91/77/32/431917732.db2.gz PGQDGLHQFXABCG-UHFFFAOYSA-N 2 2 312.461 3.301 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3cc(OC)ccc3o2)CC1 ZINC000125291688 431920220 /nfs/dbraw/zinc/92/02/20/431920220.db2.gz ALFDQFDQYJRQGQ-UHFFFAOYSA-N 2 2 302.418 3.358 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3cc(OC)ccc3o2)CC1 ZINC000125291688 431920221 /nfs/dbraw/zinc/92/02/21/431920221.db2.gz ALFDQFDQYJRQGQ-UHFFFAOYSA-N 2 2 302.418 3.358 20 0 DGADLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000048336673 431924050 /nfs/dbraw/zinc/92/40/50/431924050.db2.gz JDRFNFAEQKWSHQ-GFCCVEGCSA-N 2 2 305.809 3.021 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000044531193 431874761 /nfs/dbraw/zinc/87/47/61/431874761.db2.gz OPHSQGRFCHCLQH-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000044531193 431874763 /nfs/dbraw/zinc/87/47/63/431874763.db2.gz OPHSQGRFCHCLQH-LBPRGKRZSA-N 2 2 305.809 3.166 20 0 DGADLP c1ccc(N2CCC([NH2+]CCCOC3CCCCC3)CC2)[nH+]c1 ZINC000124128817 431883550 /nfs/dbraw/zinc/88/35/50/431883550.db2.gz UEQGWXJPBCUEIV-UHFFFAOYSA-N 2 2 317.477 3.379 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000090004213 431887925 /nfs/dbraw/zinc/88/79/25/431887925.db2.gz KBJKCBQQBPYXQF-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000090004213 431887930 /nfs/dbraw/zinc/88/79/30/431887930.db2.gz KBJKCBQQBPYXQF-ZDUSSCGKSA-N 2 2 305.372 3.153 20 0 DGADLP Cc1ccccc1[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000124453314 431894708 /nfs/dbraw/zinc/89/47/08/431894708.db2.gz LAAGJSSDVSVGKO-ZIFCJYIRSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000124453314 431894709 /nfs/dbraw/zinc/89/47/09/431894709.db2.gz LAAGJSSDVSVGKO-ZIFCJYIRSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](C)CO1 ZINC000124453314 431894711 /nfs/dbraw/zinc/89/47/11/431894711.db2.gz LAAGJSSDVSVGKO-ZIFCJYIRSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](C)CO1 ZINC000124453314 431894712 /nfs/dbraw/zinc/89/47/12/431894712.db2.gz LAAGJSSDVSVGKO-ZIFCJYIRSA-N 2 2 302.462 3.241 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000090720573 431895025 /nfs/dbraw/zinc/89/50/25/431895025.db2.gz HEIWRLNYWYDEFW-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000090720573 431895027 /nfs/dbraw/zinc/89/50/27/431895027.db2.gz HEIWRLNYWYDEFW-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000090721565 431895300 /nfs/dbraw/zinc/89/53/00/431895300.db2.gz HQMKUKKSVBPVCI-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CC[N@H+]1C ZINC000090721565 431895302 /nfs/dbraw/zinc/89/53/02/431895302.db2.gz HQMKUKKSVBPVCI-GXFFZTMASA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560610 431898292 /nfs/dbraw/zinc/89/82/92/431898292.db2.gz SFRBHWJGCRJWGQ-PWSUYJOCSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Cl ZINC000124560610 431898294 /nfs/dbraw/zinc/89/82/94/431898294.db2.gz SFRBHWJGCRJWGQ-PWSUYJOCSA-N 2 2 303.233 3.184 20 0 DGADLP COc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)c(OC)c1 ZINC000124682301 431900588 /nfs/dbraw/zinc/90/05/88/431900588.db2.gz BLLKBCCBFUAROF-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)c(OC)c1 ZINC000124682301 431900590 /nfs/dbraw/zinc/90/05/90/431900590.db2.gz BLLKBCCBFUAROF-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066795 431907416 /nfs/dbraw/zinc/90/74/16/431907416.db2.gz YRLZSHWAWOINMU-RHSMWYFYSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066795 431907417 /nfs/dbraw/zinc/90/74/17/431907417.db2.gz YRLZSHWAWOINMU-RHSMWYFYSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066795 431907419 /nfs/dbraw/zinc/90/74/19/431907419.db2.gz YRLZSHWAWOINMU-RHSMWYFYSA-N 2 2 316.493 3.156 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066795 431907421 /nfs/dbraw/zinc/90/74/21/431907421.db2.gz YRLZSHWAWOINMU-RHSMWYFYSA-N 2 2 316.493 3.156 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(OC(F)F)cc1C ZINC000125549505 431929132 /nfs/dbraw/zinc/92/91/32/431929132.db2.gz HBJHBKQUXAHBPR-CQSZACIVSA-N 2 2 312.404 3.288 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(OC(F)F)cc1C ZINC000125549505 431929134 /nfs/dbraw/zinc/92/91/34/431929134.db2.gz HBJHBKQUXAHBPR-CQSZACIVSA-N 2 2 312.404 3.288 20 0 DGADLP CCC(CC)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125791529 431936174 /nfs/dbraw/zinc/93/61/74/431936174.db2.gz DZMVOOMGBJFCLY-ROUUACIJSA-N 2 2 314.477 3.455 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000049553918 431941628 /nfs/dbraw/zinc/94/16/28/431941628.db2.gz ZVGRFGSEKFTZIY-LBPRGKRZSA-N 2 2 307.438 3.379 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000049696150 431942853 /nfs/dbraw/zinc/94/28/53/431942853.db2.gz CCRUFCPRSLIJBW-UHFFFAOYSA-N 2 2 322.412 3.045 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cn1 ZINC000126476245 431951172 /nfs/dbraw/zinc/95/11/72/431951172.db2.gz KOVVOPCZNAYVKC-CQSZACIVSA-N 2 2 324.432 3.204 20 0 DGADLP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336240 281005114 /nfs/dbraw/zinc/00/51/14/281005114.db2.gz LAEORSGALYMKTL-CZUORRHYSA-N 2 2 316.449 3.361 20 0 DGADLP Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000425336240 281005117 /nfs/dbraw/zinc/00/51/17/281005117.db2.gz LAEORSGALYMKTL-CZUORRHYSA-N 2 2 316.449 3.361 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000151808401 432278849 /nfs/dbraw/zinc/27/88/49/432278849.db2.gz YLNPSZPXTJMNFZ-UTKZUKDTSA-N 2 2 324.468 3.065 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000342732304 281416541 /nfs/dbraw/zinc/41/65/41/281416541.db2.gz HSEPUUPTCMKWQH-MSOLQXFVSA-N 2 2 301.478 3.492 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000248430119 432289856 /nfs/dbraw/zinc/28/98/56/432289856.db2.gz VIDHTTDNUBVXBK-DUXKGJEZSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000248430119 432289862 /nfs/dbraw/zinc/28/98/62/432289862.db2.gz VIDHTTDNUBVXBK-DUXKGJEZSA-N 2 2 324.468 3.015 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000152001158 432296762 /nfs/dbraw/zinc/29/67/62/432296762.db2.gz KNLNQGKFJZUITE-CJNGLKHVSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000152001158 432296766 /nfs/dbraw/zinc/29/67/66/432296766.db2.gz KNLNQGKFJZUITE-CJNGLKHVSA-N 2 2 303.381 3.114 20 0 DGADLP O[C@H](C[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881647 432298412 /nfs/dbraw/zinc/29/84/12/432298412.db2.gz NNVVPQKWQPCZAO-RBUKOAKNSA-N 2 2 313.445 3.251 20 0 DGADLP O[C@H](C[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881647 432298417 /nfs/dbraw/zinc/29/84/17/432298417.db2.gz NNVVPQKWQPCZAO-RBUKOAKNSA-N 2 2 313.445 3.251 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000248062641 432265640 /nfs/dbraw/zinc/26/56/40/432265640.db2.gz YVJJHAJNTVOAJB-UXLLHSPISA-N 2 2 320.502 3.312 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000248062641 432265644 /nfs/dbraw/zinc/26/56/44/432265644.db2.gz YVJJHAJNTVOAJB-UXLLHSPISA-N 2 2 320.502 3.312 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000183717862 432318326 /nfs/dbraw/zinc/31/83/26/432318326.db2.gz IZAJXTAOXNYQCG-CYBMUJFWSA-N 2 2 317.433 3.205 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000271033121 432318350 /nfs/dbraw/zinc/31/83/50/432318350.db2.gz QYMQYOAMAZGOOP-UHFFFAOYSA-N 2 2 314.433 3.038 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000271033121 432318356 /nfs/dbraw/zinc/31/83/56/432318356.db2.gz QYMQYOAMAZGOOP-UHFFFAOYSA-N 2 2 314.433 3.038 20 0 DGADLP Cc1c[nH+]ccc1NC[C@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000191976994 432320614 /nfs/dbraw/zinc/32/06/14/432320614.db2.gz UBWHLVVKWZVHTK-GOSISDBHSA-N 2 2 315.392 3.015 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248880847 432325224 /nfs/dbraw/zinc/32/52/24/432325224.db2.gz PGMQPDDVZBDXMI-USXIJHARSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248880847 432325226 /nfs/dbraw/zinc/32/52/26/432325226.db2.gz PGMQPDDVZBDXMI-USXIJHARSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248880847 432325230 /nfs/dbraw/zinc/32/52/30/432325230.db2.gz PGMQPDDVZBDXMI-USXIJHARSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248880847 432325234 /nfs/dbraw/zinc/32/52/34/432325234.db2.gz PGMQPDDVZBDXMI-USXIJHARSA-N 2 2 322.493 3.055 20 0 DGADLP C[N@@H+](Cc1cc(-c2cccs2)on1)C[C@H]1CCC[NH+](C)C1 ZINC000152377468 432328942 /nfs/dbraw/zinc/32/89/42/432328942.db2.gz WQNVSSHMUHTVEC-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[N@H+](Cc1cc(-c2cccs2)on1)C[C@H]1CCC[NH+](C)C1 ZINC000152377468 432328946 /nfs/dbraw/zinc/32/89/46/432328946.db2.gz WQNVSSHMUHTVEC-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cc(-c2cccs2)on1)C[C@H]1CCC[N@H+](C)C1 ZINC000152377468 432328951 /nfs/dbraw/zinc/32/89/51/432328951.db2.gz WQNVSSHMUHTVEC-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP C[NH+](Cc1cc(-c2cccs2)on1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152377468 432328957 /nfs/dbraw/zinc/32/89/57/432328957.db2.gz WQNVSSHMUHTVEC-ZDUSSCGKSA-N 2 2 305.447 3.177 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271134497 432333990 /nfs/dbraw/zinc/33/39/90/432333990.db2.gz BQMLGLUJKJWJRX-UHFFFAOYSA-N 2 2 321.428 3.488 20 0 DGADLP C[C@@H](CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000249107306 432339364 /nfs/dbraw/zinc/33/93/64/432339364.db2.gz XFXMHXNOKQBXFE-ROUUACIJSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@@H](CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000249107306 432339367 /nfs/dbraw/zinc/33/93/67/432339367.db2.gz XFXMHXNOKQBXFE-ROUUACIJSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccoc1 ZINC000191832720 432306167 /nfs/dbraw/zinc/30/61/67/432306167.db2.gz VIUGWOGMBFJGIX-LPHOPBHVSA-N 2 2 314.429 3.221 20 0 DGADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248624588 432308120 /nfs/dbraw/zinc/30/81/20/432308120.db2.gz ORDZCJIRBUEFEC-BRWVUGGUSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248624588 432308124 /nfs/dbraw/zinc/30/81/24/432308124.db2.gz ORDZCJIRBUEFEC-BRWVUGGUSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248624588 432308128 /nfs/dbraw/zinc/30/81/28/432308128.db2.gz ORDZCJIRBUEFEC-BRWVUGGUSA-N 2 2 302.466 3.124 20 0 DGADLP C[C@H](c1cnccn1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248624588 432308131 /nfs/dbraw/zinc/30/81/31/432308131.db2.gz ORDZCJIRBUEFEC-BRWVUGGUSA-N 2 2 302.466 3.124 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183650350 432312503 /nfs/dbraw/zinc/31/25/03/432312503.db2.gz WDIWHMUFUJEWTQ-CABCVRRESA-N 2 2 316.449 3.165 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183650350 432312507 /nfs/dbraw/zinc/31/25/07/432312507.db2.gz WDIWHMUFUJEWTQ-CABCVRRESA-N 2 2 316.449 3.165 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000271012695 432313792 /nfs/dbraw/zinc/31/37/92/432313792.db2.gz MEYVWHVQINWODZ-UHFFFAOYSA-N 2 2 301.438 3.025 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000271012695 432313795 /nfs/dbraw/zinc/31/37/95/432313795.db2.gz MEYVWHVQINWODZ-UHFFFAOYSA-N 2 2 301.438 3.025 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C2 ZINC000192438994 432374397 /nfs/dbraw/zinc/37/43/97/432374397.db2.gz CQGPUMFQLWCXHD-WBVHZDCISA-N 2 2 302.462 3.017 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cncc(C)c2)cn1 ZINC000184289522 432376386 /nfs/dbraw/zinc/37/63/86/432376386.db2.gz UXQCWCFWWHLFFK-AWEZNQCLSA-N 2 2 307.401 3.130 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346927 432379285 /nfs/dbraw/zinc/37/92/85/432379285.db2.gz XXFGHBXSFQZWCK-LSDHHAIUSA-N 2 2 306.475 3.270 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346927 432379289 /nfs/dbraw/zinc/37/92/89/432379289.db2.gz XXFGHBXSFQZWCK-LSDHHAIUSA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346927 432379293 /nfs/dbraw/zinc/37/92/93/432379293.db2.gz XXFGHBXSFQZWCK-LSDHHAIUSA-N 2 2 306.475 3.270 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000271346927 432379294 /nfs/dbraw/zinc/37/92/94/432379294.db2.gz XXFGHBXSFQZWCK-LSDHHAIUSA-N 2 2 306.475 3.270 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CCOC[C@@H]2C)c2ccccc2)CC1 ZINC000192495323 432379862 /nfs/dbraw/zinc/37/98/62/432379862.db2.gz COONDGKHDNGNBE-YSIASYRMSA-N 2 2 316.489 3.474 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000192519614 432383898 /nfs/dbraw/zinc/38/38/98/432383898.db2.gz NOEMHRCMXDVWOW-QXAKKESOSA-N 2 2 302.462 3.147 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)C[NH+]1CCOCC1 ZINC000153169461 432388468 /nfs/dbraw/zinc/38/84/68/432388468.db2.gz UDBJPKQIUGKQNN-CHWSQXEVSA-N 2 2 314.832 3.098 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000253193294 432389763 /nfs/dbraw/zinc/38/97/63/432389763.db2.gz OKJBCQBEOLRHCD-UKRRQHHQSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000253193294 432389767 /nfs/dbraw/zinc/38/97/67/432389767.db2.gz OKJBCQBEOLRHCD-UKRRQHHQSA-N 2 2 301.459 3.227 20 0 DGADLP Oc1cc(F)cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000184132816 432359533 /nfs/dbraw/zinc/35/95/33/432359533.db2.gz CQBPVSFYILYTLY-IBGZPJMESA-N 2 2 314.404 3.458 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000271296777 432370225 /nfs/dbraw/zinc/37/02/25/432370225.db2.gz NWADSGSOONZHTA-XYPHTWIQSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000271296777 432370228 /nfs/dbraw/zinc/37/02/28/432370228.db2.gz NWADSGSOONZHTA-XYPHTWIQSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2ccccc2n1C ZINC000192925084 432428743 /nfs/dbraw/zinc/42/87/43/432428743.db2.gz OCLWZUDHKUQKMG-HNNXBMFYSA-N 2 2 300.450 3.100 20 0 DGADLP CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271943290 432429365 /nfs/dbraw/zinc/42/93/65/432429365.db2.gz BCZMSDNBQQTDGX-QZTJIDSGSA-N 2 2 317.477 3.234 20 0 DGADLP CC(C)C[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271943288 432429513 /nfs/dbraw/zinc/42/95/13/432429513.db2.gz BCZMSDNBQQTDGX-MSOLQXFVSA-N 2 2 317.477 3.234 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261568530 432430836 /nfs/dbraw/zinc/43/08/36/432430836.db2.gz JHKLZXIOZRCHNL-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261568530 432430840 /nfs/dbraw/zinc/43/08/40/432430840.db2.gz JHKLZXIOZRCHNL-DOMZBBRYSA-N 2 2 309.251 3.196 20 0 DGADLP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271951728 432431251 /nfs/dbraw/zinc/43/12/51/432431251.db2.gz DJUPJBJTYKJRNY-SCLBCKFNSA-N 2 2 313.376 3.339 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1F ZINC000192955378 432434043 /nfs/dbraw/zinc/43/40/43/432434043.db2.gz SCMJHXKKFUYYPH-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1F ZINC000192955378 432434045 /nfs/dbraw/zinc/43/40/45/432434045.db2.gz SCMJHXKKFUYYPH-INIZCTEOSA-N 2 2 306.425 3.285 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000192964412 432434492 /nfs/dbraw/zinc/43/44/92/432434492.db2.gz GQUCFJYSBRNLKQ-VQIMIIECSA-N 2 2 320.477 3.093 20 0 DGADLP C[NH+](C)[C@@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc(Cl)c1 ZINC000261669037 432438360 /nfs/dbraw/zinc/43/83/60/432438360.db2.gz GAYMLNRKEXZHAF-CYBMUJFWSA-N 2 2 320.824 3.102 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261672069 432441416 /nfs/dbraw/zinc/44/14/16/432441416.db2.gz LLFRAFQYKHRPEO-ZWNOBZJWSA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261672069 432441420 /nfs/dbraw/zinc/44/14/20/432441420.db2.gz LLFRAFQYKHRPEO-ZWNOBZJWSA-N 2 2 316.779 3.125 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261695177 432442906 /nfs/dbraw/zinc/44/29/06/432442906.db2.gz BSLFNJJHZSRKGX-WBMJQRKESA-N 2 2 323.278 3.195 20 0 DGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261695177 432442908 /nfs/dbraw/zinc/44/29/08/432442908.db2.gz BSLFNJJHZSRKGX-WBMJQRKESA-N 2 2 323.278 3.195 20 0 DGADLP Fc1cccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000272129379 432449527 /nfs/dbraw/zinc/44/95/27/432449527.db2.gz LDDBZRIZJYQLDS-UHFFFAOYSA-N 2 2 311.404 3.468 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]12 ZINC000261778980 432450849 /nfs/dbraw/zinc/45/08/49/432450849.db2.gz WRTFMOUFTVVOEF-DDTOSNHZSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]12 ZINC000261778980 432450854 /nfs/dbraw/zinc/45/08/54/432450854.db2.gz WRTFMOUFTVVOEF-DDTOSNHZSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]12 ZINC000261778984 432451524 /nfs/dbraw/zinc/45/15/24/432451524.db2.gz WRTFMOUFTVVOEF-ZLKJLUDKSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]12 ZINC000261778984 432451527 /nfs/dbraw/zinc/45/15/27/432451527.db2.gz WRTFMOUFTVVOEF-ZLKJLUDKSA-N 2 2 302.315 3.014 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000153894677 432453472 /nfs/dbraw/zinc/45/34/72/432453472.db2.gz RHNOIAHDYQHXIS-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000153894677 432453478 /nfs/dbraw/zinc/45/34/78/432453478.db2.gz RHNOIAHDYQHXIS-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000271521780 432413560 /nfs/dbraw/zinc/41/35/60/432413560.db2.gz OMQJEBLHYYYOOF-IAGOWNOFSA-N 2 2 317.477 3.234 20 0 DGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1OCCc2ccccc21 ZINC000271701433 432421692 /nfs/dbraw/zinc/42/16/92/432421692.db2.gz CTZYRKJKJVVIPJ-GOSISDBHSA-N 2 2 307.397 3.080 20 0 DGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1OCCc2ccccc21 ZINC000271701433 432421696 /nfs/dbraw/zinc/42/16/96/432421696.db2.gz CTZYRKJKJVVIPJ-GOSISDBHSA-N 2 2 307.397 3.080 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000184734920 432427142 /nfs/dbraw/zinc/42/71/42/432427142.db2.gz KXCUQNVHNCDRHE-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000184734920 432427144 /nfs/dbraw/zinc/42/71/44/432427144.db2.gz KXCUQNVHNCDRHE-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000262084096 432474123 /nfs/dbraw/zinc/47/41/23/432474123.db2.gz UDHHJWSLTQEYEJ-OAHLLOKOSA-N 2 2 305.472 3.057 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000262084096 432474127 /nfs/dbraw/zinc/47/41/27/432474127.db2.gz UDHHJWSLTQEYEJ-OAHLLOKOSA-N 2 2 305.472 3.057 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCO[C@@H]3CC(C)C)n2c1 ZINC000185194973 432476400 /nfs/dbraw/zinc/47/64/00/432476400.db2.gz BKBGVVBKFXXTHA-IAGOWNOFSA-N 2 2 301.434 3.326 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000185198672 432476426 /nfs/dbraw/zinc/47/64/26/432476426.db2.gz LBRUHOILJZKKEP-IAGOWNOFSA-N 2 2 317.477 3.232 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000185194168 432476484 /nfs/dbraw/zinc/47/64/84/432476484.db2.gz GEXYCXLKLLVQJF-JKSUJKDBSA-N 2 2 301.434 3.059 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000262158089 432476666 /nfs/dbraw/zinc/47/66/66/432476666.db2.gz SDWWXIYUSQWSMZ-OAHLLOKOSA-N 2 2 319.449 3.202 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000262158089 432476670 /nfs/dbraw/zinc/47/66/70/432476670.db2.gz SDWWXIYUSQWSMZ-OAHLLOKOSA-N 2 2 319.449 3.202 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000185215312 432477991 /nfs/dbraw/zinc/47/79/91/432477991.db2.gz IDRXENPHJWLTSR-HZPDHXFCSA-N 2 2 305.466 3.455 20 0 DGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCC1 ZINC000272310397 432480259 /nfs/dbraw/zinc/48/02/59/432480259.db2.gz SYKIBEGCQAJPQM-AWEZNQCLSA-N 2 2 302.466 3.213 20 0 DGADLP CC[N@H+](CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CC1 ZINC000185283664 432485980 /nfs/dbraw/zinc/48/59/80/432485980.db2.gz VHHLGDWOPKWSCJ-AWEZNQCLSA-N 2 2 308.441 3.087 20 0 DGADLP CC[N@@H+](CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CC1 ZINC000185283664 432485985 /nfs/dbraw/zinc/48/59/85/432485985.db2.gz VHHLGDWOPKWSCJ-AWEZNQCLSA-N 2 2 308.441 3.087 20 0 DGADLP C[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000262469771 432487227 /nfs/dbraw/zinc/48/72/27/432487227.db2.gz JDJRBTIRMOVPFE-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@H]1C[NH3+] ZINC000262469771 432487232 /nfs/dbraw/zinc/48/72/32/432487232.db2.gz JDJRBTIRMOVPFE-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nc2ccccc12 ZINC000262471562 432487696 /nfs/dbraw/zinc/48/76/96/432487696.db2.gz JHHGWMXDFGPPEV-DZGCQCFKSA-N 2 2 315.848 3.380 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nc2ccccc12 ZINC000262471562 432487701 /nfs/dbraw/zinc/48/77/01/432487701.db2.gz JHHGWMXDFGPPEV-DZGCQCFKSA-N 2 2 315.848 3.380 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315471 432489466 /nfs/dbraw/zinc/48/94/66/432489466.db2.gz XLGXKHASMONYAY-TXPKVOOTSA-N 2 2 312.461 3.074 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000185315471 432489469 /nfs/dbraw/zinc/48/94/69/432489469.db2.gz XLGXKHASMONYAY-TXPKVOOTSA-N 2 2 312.461 3.074 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272387096 432492718 /nfs/dbraw/zinc/49/27/18/432492718.db2.gz GFZBFUDRNMXLLG-FRYIKTPZSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387096 432492723 /nfs/dbraw/zinc/49/27/23/432492723.db2.gz GFZBFUDRNMXLLG-FRYIKTPZSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(SC2CCCC2)cc1 ZINC000154386237 432494612 /nfs/dbraw/zinc/49/46/12/432494612.db2.gz TXGDUIDYVSHSGM-ZBFHGGJFSA-N 2 2 322.518 3.294 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272438287 432500965 /nfs/dbraw/zinc/50/09/65/432500965.db2.gz SHQIVZUUDHGRPA-LDLYASANSA-N 3 2 315.505 3.112 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272438287 432500971 /nfs/dbraw/zinc/50/09/71/432500971.db2.gz SHQIVZUUDHGRPA-LDLYASANSA-N 3 2 315.505 3.112 20 0 DGADLP Oc1cc(F)cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000185456990 432502982 /nfs/dbraw/zinc/50/29/82/432502982.db2.gz KJMZRAOWYBEKKA-UHFFFAOYSA-N 2 2 314.404 3.069 20 0 DGADLP Oc1cc(F)cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000185456990 432502985 /nfs/dbraw/zinc/50/29/85/432502985.db2.gz KJMZRAOWYBEKKA-UHFFFAOYSA-N 2 2 314.404 3.069 20 0 DGADLP COc1ccc(Oc2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC000261923325 432461564 /nfs/dbraw/zinc/46/15/64/432461564.db2.gz BWIYIBGFMOVGQH-KUHUBIRLSA-N 2 2 312.413 3.267 20 0 DGADLP COc1ccc(Oc2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC000261923325 432461566 /nfs/dbraw/zinc/46/15/66/432461566.db2.gz BWIYIBGFMOVGQH-KUHUBIRLSA-N 2 2 312.413 3.267 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011376 432464675 /nfs/dbraw/zinc/46/46/75/432464675.db2.gz MSWVHYRHKAVADM-DJIMGWMZSA-N 2 2 309.523 3.203 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011376 432464679 /nfs/dbraw/zinc/46/46/79/432464679.db2.gz MSWVHYRHKAVADM-DJIMGWMZSA-N 2 2 309.523 3.203 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226116 432464890 /nfs/dbraw/zinc/46/48/90/432464890.db2.gz GUSFQOYOZKQJKM-BFYDXBDKSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000272226116 432464897 /nfs/dbraw/zinc/46/48/97/432464897.db2.gz GUSFQOYOZKQJKM-BFYDXBDKSA-N 2 2 302.466 3.213 20 0 DGADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000261988029 432468196 /nfs/dbraw/zinc/46/81/96/432468196.db2.gz JXLGOVFJJOAMKY-KRWDZBQOSA-N 2 2 320.440 3.209 20 0 DGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000261988029 432468199 /nfs/dbraw/zinc/46/81/99/432468199.db2.gz JXLGOVFJJOAMKY-KRWDZBQOSA-N 2 2 320.440 3.209 20 0 DGADLP CN(C)[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000154059257 432468353 /nfs/dbraw/zinc/46/83/53/432468353.db2.gz ZNHGWEPHQMVEEU-GOSISDBHSA-N 2 2 319.493 3.269 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)sc1Br ZINC000262032276 432469741 /nfs/dbraw/zinc/46/97/41/432469741.db2.gz OECYUANGBSVLTO-ZDUSSCGKSA-N 2 2 315.280 3.004 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)sc1Br ZINC000262032276 432469746 /nfs/dbraw/zinc/46/97/46/432469746.db2.gz OECYUANGBSVLTO-ZDUSSCGKSA-N 2 2 315.280 3.004 20 0 DGADLP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)o1 ZINC000185675851 432521511 /nfs/dbraw/zinc/52/15/11/432521511.db2.gz XXOZJIKYAGLGNR-INIZCTEOSA-N 2 2 311.385 3.411 20 0 DGADLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)o1 ZINC000185675851 432521514 /nfs/dbraw/zinc/52/15/14/432521514.db2.gz XXOZJIKYAGLGNR-INIZCTEOSA-N 2 2 311.385 3.411 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194270109 432536202 /nfs/dbraw/zinc/53/62/02/432536202.db2.gz ZCZDLMJRJOMTEQ-UHFFFAOYSA-N 2 2 312.461 3.431 20 0 DGADLP Cc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)c(C)[nH+]1 ZINC000176707508 432545471 /nfs/dbraw/zinc/54/54/71/432545471.db2.gz NNFPGOZOLWGHCD-UHFFFAOYSA-N 2 2 304.438 3.132 20 0 DGADLP C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186540171 432605069 /nfs/dbraw/zinc/60/50/69/432605069.db2.gz ZMHIJSHANGCFHE-PBHICJAKSA-N 2 2 311.385 3.240 20 0 DGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000194896799 432585599 /nfs/dbraw/zinc/58/55/99/432585599.db2.gz QJKWXGAFSSQHOE-HUUCEWRRSA-N 2 2 308.491 3.027 20 0 DGADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc[nH+]c(C)n2)cc1 ZINC000273339297 432586715 /nfs/dbraw/zinc/58/67/15/432586715.db2.gz SNPVFDUZKQPOLA-QGZVFWFLSA-N 2 2 312.417 3.043 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccc2c(c1)CCO2 ZINC000186422065 432593977 /nfs/dbraw/zinc/59/39/77/432593977.db2.gz SFQPIKSLJRHGNT-MOPGFXCFSA-N 2 2 314.473 3.113 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccc2c(c1)CCO2 ZINC000186422065 432593981 /nfs/dbraw/zinc/59/39/81/432593981.db2.gz SFQPIKSLJRHGNT-MOPGFXCFSA-N 2 2 314.473 3.113 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc2c(c1)CCO2 ZINC000186422065 432593985 /nfs/dbraw/zinc/59/39/85/432593985.db2.gz SFQPIKSLJRHGNT-MOPGFXCFSA-N 2 2 314.473 3.113 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc2c(c1)CCO2 ZINC000186422065 432593988 /nfs/dbraw/zinc/59/39/88/432593988.db2.gz SFQPIKSLJRHGNT-MOPGFXCFSA-N 2 2 314.473 3.113 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000177244954 432602101 /nfs/dbraw/zinc/60/21/01/432602101.db2.gz DVBMKEGOGSTEJZ-IBGZPJMESA-N 2 2 318.424 3.474 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)cn2)c[nH+]1 ZINC000177244954 432602108 /nfs/dbraw/zinc/60/21/08/432602108.db2.gz DVBMKEGOGSTEJZ-IBGZPJMESA-N 2 2 318.424 3.474 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccn1 ZINC000158588048 432652031 /nfs/dbraw/zinc/65/20/31/432652031.db2.gz VZFXYBOAOZQXFM-INIZCTEOSA-N 2 2 306.413 3.220 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384609 432660047 /nfs/dbraw/zinc/66/00/47/432660047.db2.gz UCHKXEZYDOVOJR-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cncc(F)c2)C1 ZINC000274384609 432660051 /nfs/dbraw/zinc/66/00/51/432660051.db2.gz UCHKXEZYDOVOJR-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000274384609 432660052 /nfs/dbraw/zinc/66/00/52/432660052.db2.gz UCHKXEZYDOVOJR-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000274384609 432660056 /nfs/dbraw/zinc/66/00/56/432660056.db2.gz UCHKXEZYDOVOJR-HOTGVXAUSA-N 2 2 305.441 3.307 20 0 DGADLP CCn1nc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000274392521 432660847 /nfs/dbraw/zinc/66/08/47/432660847.db2.gz CQVMHRDVHGTJAU-GJZGRUSLSA-N 2 2 300.450 3.019 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1Cl ZINC000158975424 432664282 /nfs/dbraw/zinc/66/42/82/432664282.db2.gz GDYWHJSJMNXSSF-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1Cl ZINC000158975424 432664284 /nfs/dbraw/zinc/66/42/84/432664284.db2.gz GDYWHJSJMNXSSF-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274675079 432696586 /nfs/dbraw/zinc/69/65/86/432696586.db2.gz YSLSSVCNSBHYIW-QMMMGPOBSA-N 2 2 304.341 3.018 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537376 432707229 /nfs/dbraw/zinc/70/72/29/432707229.db2.gz KGZXSQPGJCNLHS-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)ccc2Cl)C1 ZINC000226537376 432707230 /nfs/dbraw/zinc/70/72/30/432707230.db2.gz KGZXSQPGJCNLHS-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000274852011 432716383 /nfs/dbraw/zinc/71/63/83/432716383.db2.gz YAPGRKGVKZKIQD-OAHLLOKOSA-N 2 2 322.412 3.132 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000228080304 432716847 /nfs/dbraw/zinc/71/68/47/432716847.db2.gz HMOVSAVVHFJLIB-KGLIPLIRSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000228080304 432716851 /nfs/dbraw/zinc/71/68/51/432716851.db2.gz HMOVSAVVHFJLIB-KGLIPLIRSA-N 2 2 301.459 3.288 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870419 432718490 /nfs/dbraw/zinc/71/84/90/432718490.db2.gz FMNFWVHENQPHCZ-ZYSHUDEJSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870419 432718494 /nfs/dbraw/zinc/71/84/94/432718494.db2.gz FMNFWVHENQPHCZ-ZYSHUDEJSA-N 2 2 324.472 3.287 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000178312205 432718760 /nfs/dbraw/zinc/71/87/60/432718760.db2.gz PLLYBNKEQSIKKZ-HNNXBMFYSA-N 2 2 314.351 3.258 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000178329165 432722290 /nfs/dbraw/zinc/72/22/90/432722290.db2.gz JUDORNDQTHXFHC-QWHCGFSZSA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000178329165 432722294 /nfs/dbraw/zinc/72/22/94/432722294.db2.gz JUDORNDQTHXFHC-QWHCGFSZSA-N 2 2 316.898 3.409 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000159289710 432678973 /nfs/dbraw/zinc/67/89/73/432678973.db2.gz LVGSMZVBNMBKLN-LSDHHAIUSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000159289710 432678978 /nfs/dbraw/zinc/67/89/78/432678978.db2.gz LVGSMZVBNMBKLN-LSDHHAIUSA-N 2 2 323.278 3.474 20 0 DGADLP CC(C)C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+](C)C ZINC000187745071 432681931 /nfs/dbraw/zinc/68/19/31/432681931.db2.gz NZQVCHZIFZOEMR-DLBZAZTESA-N 2 2 318.440 3.204 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000178064671 432690951 /nfs/dbraw/zinc/69/09/51/432690951.db2.gz NWYQKXFVKLEQQE-CZUORRHYSA-N 2 2 318.490 3.278 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)c2cn(C)nc2C)[NH+](C)C)cc1 ZINC000178060818 432691295 /nfs/dbraw/zinc/69/12/95/432691295.db2.gz JMHFXAQYURBBKO-KUHUBIRLSA-N 2 2 314.477 3.244 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000236586467 432749127 /nfs/dbraw/zinc/74/91/27/432749127.db2.gz GWDJFICIPWZVJP-HXUWFJFHSA-N 2 2 306.453 3.408 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000236586467 432749132 /nfs/dbraw/zinc/74/91/32/432749132.db2.gz GWDJFICIPWZVJP-HXUWFJFHSA-N 2 2 306.453 3.408 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000266156125 432752202 /nfs/dbraw/zinc/75/22/02/432752202.db2.gz LVYMWWGYLJAOBB-QAPCUYQASA-N 2 2 319.468 3.246 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@H](C)C1 ZINC000266156125 432752204 /nfs/dbraw/zinc/75/22/04/432752204.db2.gz LVYMWWGYLJAOBB-QAPCUYQASA-N 2 2 319.468 3.246 20 0 DGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000236746897 432762577 /nfs/dbraw/zinc/76/25/77/432762577.db2.gz GAOKHPAXRKJGIX-ZDUSSCGKSA-N 2 2 316.449 3.183 20 0 DGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000275706148 432743760 /nfs/dbraw/zinc/74/37/60/432743760.db2.gz LQQSPPAVLCQLSD-OAHLLOKOSA-N 2 2 317.477 3.040 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000235483160 432745191 /nfs/dbraw/zinc/74/51/91/432745191.db2.gz VDJRKENJOUIMNQ-GFCCVEGCSA-N 2 2 313.283 3.310 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000345146549 292674138 /nfs/dbraw/zinc/67/41/38/292674138.db2.gz BFWUFDZCUAGQCG-PKOBYXMFSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277283238 432834810 /nfs/dbraw/zinc/83/48/10/432834810.db2.gz SLNYHZKHHHQJGF-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277283238 432834814 /nfs/dbraw/zinc/83/48/14/432834814.db2.gz SLNYHZKHHHQJGF-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP COc1ccc(CC(C)(C)[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000189455679 432786621 /nfs/dbraw/zinc/78/66/21/432786621.db2.gz MYBSPVNFOYVWPR-UHFFFAOYSA-N 2 2 309.413 3.454 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(OC(C)C)C1 ZINC000189462935 432787875 /nfs/dbraw/zinc/78/78/75/432787875.db2.gz PRUMXEBOPTUMOD-UHFFFAOYSA-N 2 2 317.477 3.115 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000237537282 432791030 /nfs/dbraw/zinc/79/10/30/432791030.db2.gz VEQHLVYWSIZGLR-HZPDHXFCSA-N 2 2 318.461 3.200 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000237569238 432792380 /nfs/dbraw/zinc/79/23/80/432792380.db2.gz JGOGVMALYDFMRC-JSGCOSHPSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Br ZINC000237569238 432792384 /nfs/dbraw/zinc/79/23/84/432792384.db2.gz JGOGVMALYDFMRC-JSGCOSHPSA-N 2 2 323.278 3.472 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161872149 432801418 /nfs/dbraw/zinc/80/14/18/432801418.db2.gz CDWCYHBDXNNSRA-QRVBRYPASA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161872149 432801421 /nfs/dbraw/zinc/80/14/21/432801421.db2.gz CDWCYHBDXNNSRA-QRVBRYPASA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161872149 432801423 /nfs/dbraw/zinc/80/14/23/432801423.db2.gz CDWCYHBDXNNSRA-QRVBRYPASA-N 3 2 307.526 3.057 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161872149 432801425 /nfs/dbraw/zinc/80/14/25/432801425.db2.gz CDWCYHBDXNNSRA-QRVBRYPASA-N 3 2 307.526 3.057 20 0 DGADLP CC[NH+](CC)CCN(Cc1cccs1)c1cc[nH+]c(C)n1 ZINC000161851813 432801469 /nfs/dbraw/zinc/80/14/69/432801469.db2.gz CFZHDKQNBIIVBZ-UHFFFAOYSA-N 2 2 304.463 3.195 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000161901602 432803035 /nfs/dbraw/zinc/80/30/35/432803035.db2.gz NVNQQCYSODDZOU-LJQANCHMSA-N 3 2 318.509 3.026 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000161901602 432803040 /nfs/dbraw/zinc/80/30/40/432803040.db2.gz NVNQQCYSODDZOU-LJQANCHMSA-N 3 2 318.509 3.026 20 0 DGADLP C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267047627 432810514 /nfs/dbraw/zinc/81/05/14/432810514.db2.gz IUUUYEFWCYURKE-CYBMUJFWSA-N 2 2 310.426 3.448 20 0 DGADLP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267047627 432810517 /nfs/dbraw/zinc/81/05/17/432810517.db2.gz IUUUYEFWCYURKE-CYBMUJFWSA-N 2 2 310.426 3.448 20 0 DGADLP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000276474791 432811400 /nfs/dbraw/zinc/81/14/00/432811400.db2.gz QXMIDAJBIOBONL-LJQANCHMSA-N 2 2 314.477 3.019 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000276474791 432811403 /nfs/dbraw/zinc/81/14/03/432811403.db2.gz QXMIDAJBIOBONL-LJQANCHMSA-N 3 2 314.477 3.019 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000276474791 432811405 /nfs/dbraw/zinc/81/14/05/432811405.db2.gz QXMIDAJBIOBONL-LJQANCHMSA-N 3 2 314.477 3.019 20 0 DGADLP O=C(CC1CC[NH2+]CC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000238152245 432813979 /nfs/dbraw/zinc/81/39/79/432813979.db2.gz ZUWGBFQJRLATIH-UHFFFAOYSA-N 2 2 311.385 3.202 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2F)CCCO1 ZINC000277621308 432864993 /nfs/dbraw/zinc/86/49/93/432864993.db2.gz BOIIMCWGVVMMBG-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)cc2F)CCCO1 ZINC000277621308 432864995 /nfs/dbraw/zinc/86/49/95/432864995.db2.gz BOIIMCWGVVMMBG-ZDUSSCGKSA-N 2 2 314.832 3.070 20 0 DGADLP CC[N@@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@@H](C)C1 ZINC000245921715 432870638 /nfs/dbraw/zinc/87/06/38/432870638.db2.gz QZEDGFILOMVOFQ-DOTOQJQBSA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@H+]1CC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)[C@@H](C)C1 ZINC000245921715 432870641 /nfs/dbraw/zinc/87/06/41/432870641.db2.gz QZEDGFILOMVOFQ-DOTOQJQBSA-N 2 2 302.466 3.214 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1O ZINC000277361247 432842377 /nfs/dbraw/zinc/84/23/77/432842377.db2.gz ZVGQNWYKAXKWGM-CVEARBPZSA-N 2 2 320.477 3.186 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245553183 432842872 /nfs/dbraw/zinc/84/28/72/432842872.db2.gz FBPCJKVLCJLNJJ-SJLPKXTDSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245553183 432842875 /nfs/dbraw/zinc/84/28/75/432842875.db2.gz FBPCJKVLCJLNJJ-SJLPKXTDSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245553183 432842879 /nfs/dbraw/zinc/84/28/79/432842879.db2.gz FBPCJKVLCJLNJJ-SJLPKXTDSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245553183 432842881 /nfs/dbraw/zinc/84/28/81/432842881.db2.gz FBPCJKVLCJLNJJ-SJLPKXTDSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000163142631 432845073 /nfs/dbraw/zinc/84/50/73/432845073.db2.gz JNQOCYRYSQRBKC-LJQANCHMSA-N 2 2 313.445 3.354 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000163142631 432845077 /nfs/dbraw/zinc/84/50/77/432845077.db2.gz JNQOCYRYSQRBKC-LJQANCHMSA-N 2 2 313.445 3.354 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000245592868 432847413 /nfs/dbraw/zinc/84/74/13/432847413.db2.gz LAAGJSSDVSVGKO-SCTDSRPQSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000245592868 432847418 /nfs/dbraw/zinc/84/74/18/432847418.db2.gz LAAGJSSDVSVGKO-SCTDSRPQSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H](C)CO1 ZINC000245592868 432847419 /nfs/dbraw/zinc/84/74/19/432847419.db2.gz LAAGJSSDVSVGKO-SCTDSRPQSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H](C)CO1 ZINC000245592868 432847422 /nfs/dbraw/zinc/84/74/22/432847422.db2.gz LAAGJSSDVSVGKO-SCTDSRPQSA-N 2 2 302.462 3.241 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163245019 432847617 /nfs/dbraw/zinc/84/76/17/432847617.db2.gz XMHQIMLFQZTAFG-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163245019 432847621 /nfs/dbraw/zinc/84/76/21/432847621.db2.gz XMHQIMLFQZTAFG-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163244815 432848013 /nfs/dbraw/zinc/84/80/13/432848013.db2.gz XMHQIMLFQZTAFG-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000163244815 432848017 /nfs/dbraw/zinc/84/80/17/432848017.db2.gz XMHQIMLFQZTAFG-NXEZZACHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163420682 432852518 /nfs/dbraw/zinc/85/25/18/432852518.db2.gz QMZCEUNPTVRUNT-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000163420682 432852522 /nfs/dbraw/zinc/85/25/22/432852522.db2.gz QMZCEUNPTVRUNT-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP COc1cc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cc(OC)c1 ZINC000289113502 432923728 /nfs/dbraw/zinc/92/37/28/432923728.db2.gz NCUMXRSDLDTPEO-UHFFFAOYSA-N 2 2 314.429 3.472 20 0 DGADLP COc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)cc1F ZINC000289371093 432950658 /nfs/dbraw/zinc/95/06/58/432950658.db2.gz ZSIYDVOMOQNCHE-UHFFFAOYSA-N 2 2 302.393 3.303 20 0 DGADLP COc1ccc(OC)c(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289324324 432945304 /nfs/dbraw/zinc/94/53/04/432945304.db2.gz UCJBAAIHCSZKMC-UHFFFAOYSA-N 2 2 300.402 3.130 20 0 DGADLP CSC1(C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000289352933 432948641 /nfs/dbraw/zinc/94/86/41/432948641.db2.gz XRPBQTOGVJFYBH-UHFFFAOYSA-N 2 2 305.491 3.054 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288926351 432906198 /nfs/dbraw/zinc/90/61/98/432906198.db2.gz VIAZQKASNBOXEK-MAUKXSAKSA-N 2 2 324.428 3.175 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288926351 432906199 /nfs/dbraw/zinc/90/61/99/432906199.db2.gz VIAZQKASNBOXEK-MAUKXSAKSA-N 2 2 324.428 3.175 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000349496659 432967968 /nfs/dbraw/zinc/96/79/68/432967968.db2.gz LFWMTWBRTQMZKQ-KDOFPFPSSA-N 2 2 322.880 3.418 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[NH+]3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000341142431 432972805 /nfs/dbraw/zinc/97/28/05/432972805.db2.gz XLSZWUQZQSXPIZ-IRXDYDNUSA-N 2 2 314.477 3.100 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349633531 432984743 /nfs/dbraw/zinc/98/47/43/432984743.db2.gz SNWUDKSFOAFSLP-VXGBXAGGSA-N 2 2 301.887 3.254 20 0 DGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCn1cc[nH+]c1 ZINC000290079119 432989918 /nfs/dbraw/zinc/98/99/18/432989918.db2.gz YVFHNJSJSCULJV-JLHYYAGUSA-N 2 2 307.344 3.178 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349692742 432993490 /nfs/dbraw/zinc/99/34/90/432993490.db2.gz KVWMSAHVLVABCF-SKSLQVBQSA-N 2 2 318.436 3.118 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349692742 432993495 /nfs/dbraw/zinc/99/34/95/432993495.db2.gz KVWMSAHVLVABCF-SKSLQVBQSA-N 2 2 318.436 3.118 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349692743 432994266 /nfs/dbraw/zinc/99/42/66/432994266.db2.gz KVWMSAHVLVABCF-VLDUQVBPSA-N 2 2 318.436 3.118 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349692743 432994269 /nfs/dbraw/zinc/99/42/69/432994269.db2.gz KVWMSAHVLVABCF-VLDUQVBPSA-N 2 2 318.436 3.118 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nccn1-c1ccccc1 ZINC000297509986 432996751 /nfs/dbraw/zinc/99/67/51/432996751.db2.gz VTRTWTCHJWKOKB-OAHLLOKOSA-N 2 2 310.445 3.150 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc2c[nH]nc2c1 ZINC000289378284 432952234 /nfs/dbraw/zinc/95/22/34/432952234.db2.gz BNMJDNVIQLAGJV-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc2c[nH]nc2c1 ZINC000289378284 432952236 /nfs/dbraw/zinc/95/22/36/432952236.db2.gz BNMJDNVIQLAGJV-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccc2c[nH]nc2c1)Cc1ccco1 ZINC000289378284 432952238 /nfs/dbraw/zinc/95/22/38/432952238.db2.gz BNMJDNVIQLAGJV-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccc2c[nH]nc2c1)Cc1ccco1 ZINC000289378284 432952241 /nfs/dbraw/zinc/95/22/41/432952241.db2.gz BNMJDNVIQLAGJV-UHFFFAOYSA-N 2 2 312.417 3.110 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000289433270 432959422 /nfs/dbraw/zinc/95/94/22/432959422.db2.gz FBJGXDNDWUEQQI-UHFFFAOYSA-N 2 2 324.428 3.233 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000289433270 432959425 /nfs/dbraw/zinc/95/94/25/432959425.db2.gz FBJGXDNDWUEQQI-UHFFFAOYSA-N 2 2 324.428 3.233 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000289433270 432959428 /nfs/dbraw/zinc/95/94/28/432959428.db2.gz FBJGXDNDWUEQQI-UHFFFAOYSA-N 2 2 324.428 3.233 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000289433270 432959431 /nfs/dbraw/zinc/95/94/31/432959431.db2.gz FBJGXDNDWUEQQI-UHFFFAOYSA-N 2 2 324.428 3.233 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808597 432961677 /nfs/dbraw/zinc/96/16/77/432961677.db2.gz NCPCRYFOYMPJNG-CHWSQXEVSA-N 2 2 320.462 3.343 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808597 432961682 /nfs/dbraw/zinc/96/16/82/432961682.db2.gz NCPCRYFOYMPJNG-CHWSQXEVSA-N 2 2 320.462 3.343 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280397077 433045196 /nfs/dbraw/zinc/04/51/96/433045196.db2.gz XIQZATJEBMSPDL-FCEWJHQRSA-N 2 2 317.477 3.012 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280135044 433003315 /nfs/dbraw/zinc/00/33/15/433003315.db2.gz WVJPMZNIIRJHFA-MRXNPFEDSA-N 2 2 312.417 3.198 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280135044 433003320 /nfs/dbraw/zinc/00/33/20/433003320.db2.gz WVJPMZNIIRJHFA-MRXNPFEDSA-N 2 2 312.417 3.198 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2cccnc2)C2CCC2)C[C@H](C)O1 ZINC000280397077 433045198 /nfs/dbraw/zinc/04/51/98/433045198.db2.gz XIQZATJEBMSPDL-FCEWJHQRSA-N 2 2 317.477 3.012 20 0 DGADLP COc1ncccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290180270 433006653 /nfs/dbraw/zinc/00/66/53/433006653.db2.gz NLBUHRGHOGQVEU-OAHLLOKOSA-N 2 2 322.412 3.169 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258505 433007442 /nfs/dbraw/zinc/00/74/42/433007442.db2.gz LLWHKTZZYSUSID-CABCVRRESA-N 2 2 302.466 3.762 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258505 433007447 /nfs/dbraw/zinc/00/74/47/433007447.db2.gz LLWHKTZZYSUSID-CABCVRRESA-N 2 2 302.466 3.762 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC(C)(C)O)CC1 ZINC000280161640 433009142 /nfs/dbraw/zinc/00/91/42/433009142.db2.gz FCOXHPCSBIJKMI-UHFFFAOYSA-N 2 2 301.434 3.143 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000349798129 433011410 /nfs/dbraw/zinc/01/14/10/433011410.db2.gz DPUICXKWVUYDHJ-BEFAXECRSA-N 2 2 316.489 3.239 20 0 DGADLP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000280239295 433020809 /nfs/dbraw/zinc/02/08/09/433020809.db2.gz WNRRSDFUZFZNKD-LJQANCHMSA-N 2 2 306.413 3.356 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000290288876 433026518 /nfs/dbraw/zinc/02/65/18/433026518.db2.gz GVMPWZMYKNMCAJ-UHFFFAOYSA-N 3 2 324.472 3.224 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000290288778 433026994 /nfs/dbraw/zinc/02/69/94/433026994.db2.gz GUKCUYVUQDSIFZ-KBXCAEBGSA-N 2 2 302.393 3.173 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1C[C@H](C)n2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000297883321 433027198 /nfs/dbraw/zinc/02/71/98/433027198.db2.gz VCWQLPOCYMUSQR-SOLBZPMBSA-N 2 2 312.461 3.389 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1C[C@H](C)n2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000297883321 433027202 /nfs/dbraw/zinc/02/72/02/433027202.db2.gz VCWQLPOCYMUSQR-SOLBZPMBSA-N 2 2 312.461 3.389 20 0 DGADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCn4ccnc43)c2)CC1 ZINC000297909200 433030983 /nfs/dbraw/zinc/03/09/83/433030983.db2.gz WNZUXLHELQRVGL-IBGZPJMESA-N 2 2 324.472 3.350 20 0 DGADLP C[C@H](C[NH2+]Cc1ccnc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000290325877 433032492 /nfs/dbraw/zinc/03/24/92/433032492.db2.gz ALJAPACUARUFEO-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cncs2)Cc2ccccc2)CC1 ZINC000290338257 433033658 /nfs/dbraw/zinc/03/36/58/433033658.db2.gz FGAZBNUNKQMOFY-UHFFFAOYSA-N 2 2 301.459 3.240 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cncs2)Cc2ccccc2)CC1 ZINC000290338257 433033662 /nfs/dbraw/zinc/03/36/62/433033662.db2.gz FGAZBNUNKQMOFY-UHFFFAOYSA-N 2 2 301.459 3.240 20 0 DGADLP Cc1ccc2[nH+]c(CNc3ccccc3CC[NH+](C)C)cn2c1 ZINC000341358322 433036162 /nfs/dbraw/zinc/03/61/62/433036162.db2.gz XJBYHNLXNHQFQS-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000290365015 433037795 /nfs/dbraw/zinc/03/77/95/433037795.db2.gz QYNJRWWEJPTWHX-ULQDDVLXSA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000290365015 433037800 /nfs/dbraw/zinc/03/78/00/433037800.db2.gz QYNJRWWEJPTWHX-ULQDDVLXSA-N 2 2 308.853 3.244 20 0 DGADLP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(Cl)c1O ZINC000298024655 433042666 /nfs/dbraw/zinc/04/26/66/433042666.db2.gz FAHGWXWBFUCMMH-UHFFFAOYSA-N 2 2 323.824 3.163 20 0 DGADLP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(Cl)c1O ZINC000298024655 433042669 /nfs/dbraw/zinc/04/26/69/433042669.db2.gz FAHGWXWBFUCMMH-UHFFFAOYSA-N 2 2 323.824 3.163 20 0 DGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000349999482 433049972 /nfs/dbraw/zinc/04/99/72/433049972.db2.gz CMEYUFSDQAPKHC-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000349999482 433049975 /nfs/dbraw/zinc/04/99/75/433049975.db2.gz CMEYUFSDQAPKHC-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP Clc1nccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000290426462 433050421 /nfs/dbraw/zinc/05/04/21/433050421.db2.gz MSTLFXCLFSOBQJ-UHFFFAOYSA-N 2 2 311.216 3.491 20 0 DGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1Br ZINC000155760465 292715802 /nfs/dbraw/zinc/71/58/02/292715802.db2.gz SQAFGENAVBKJOK-AWEZNQCLSA-N 2 2 308.223 3.387 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000280481075 433055650 /nfs/dbraw/zinc/05/56/50/433055650.db2.gz DPUUBPIPDAOCCA-QGZVFWFLSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000280481075 433055655 /nfs/dbraw/zinc/05/56/55/433055655.db2.gz DPUUBPIPDAOCCA-QGZVFWFLSA-N 2 2 312.461 3.097 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000290467843 433060923 /nfs/dbraw/zinc/06/09/23/433060923.db2.gz WWKNHGDUYYRDIX-QGZVFWFLSA-N 2 2 310.869 3.492 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c[nH+]1 ZINC000354412714 433065977 /nfs/dbraw/zinc/06/59/77/433065977.db2.gz QKELIZLHVQEGAQ-GOSISDBHSA-N 2 2 300.446 3.214 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c[nH+]1 ZINC000354412714 433065982 /nfs/dbraw/zinc/06/59/82/433065982.db2.gz QKELIZLHVQEGAQ-GOSISDBHSA-N 2 2 300.446 3.214 20 0 DGADLP CC[C@H]1C[C@@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C)c1 ZINC000419733925 433069334 /nfs/dbraw/zinc/06/93/34/433069334.db2.gz UOGCJCLOVGZUAH-KXBFYZLASA-N 2 2 312.461 3.210 20 0 DGADLP COCc1cc(N2CCC[C@@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000290503947 433069558 /nfs/dbraw/zinc/06/95/58/433069558.db2.gz DQGZHKIEZGHXGC-OAHLLOKOSA-N 2 2 317.408 3.051 20 0 DGADLP Cc1ccc(CCC[NH2+]CCOc2ccc(Cl)cn2)c[nH+]1 ZINC000354423419 433071607 /nfs/dbraw/zinc/07/16/07/433071607.db2.gz SMNNCZPJXHKKLY-UHFFFAOYSA-N 2 2 305.809 3.040 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)CO1 ZINC000361268734 433074714 /nfs/dbraw/zinc/07/47/14/433074714.db2.gz WYTJKIBMQVWADI-PKOBYXMFSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)CO1 ZINC000361268734 433074722 /nfs/dbraw/zinc/07/47/22/433074722.db2.gz WYTJKIBMQVWADI-PKOBYXMFSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cccc3c2OCCCO3)c[nH+]1 ZINC000354429447 433075076 /nfs/dbraw/zinc/07/50/76/433075076.db2.gz XARBVNVGVWLTFJ-UHFFFAOYSA-N 2 2 312.413 3.274 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000290517092 433076619 /nfs/dbraw/zinc/07/66/19/433076619.db2.gz XJJWXRHBDGAXRI-UHFFFAOYSA-N 2 2 312.413 3.158 20 0 DGADLP COCc1cc(N[C@H](C)CC[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000290527886 433083134 /nfs/dbraw/zinc/08/31/34/433083134.db2.gz HCECOLJLMQYDTG-GFCCVEGCSA-N 2 2 305.397 3.272 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000280566357 433088116 /nfs/dbraw/zinc/08/81/16/433088116.db2.gz LJGVVTUMRZAWKU-WMZOPIPTSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000280566357 433088125 /nfs/dbraw/zinc/08/81/25/433088125.db2.gz LJGVVTUMRZAWKU-WMZOPIPTSA-N 2 2 313.489 3.118 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373108414 433091401 /nfs/dbraw/zinc/09/14/01/433091401.db2.gz BFSJXRJYBRDCGY-OAHLLOKOSA-N 2 2 321.428 3.051 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373108414 433091408 /nfs/dbraw/zinc/09/14/08/433091408.db2.gz BFSJXRJYBRDCGY-OAHLLOKOSA-N 2 2 321.428 3.051 20 0 DGADLP Fc1cc(F)cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000361345107 433122507 /nfs/dbraw/zinc/12/25/07/433122507.db2.gz XWQLSYAUQXTLTA-UHFFFAOYSA-N 2 2 322.321 3.471 20 0 DGADLP CC(C)c1nc(N2CCC([C@H](C)[NH3+])CC2)cc(C(C)(C)C)[nH+]1 ZINC000420222302 433124624 /nfs/dbraw/zinc/12/46/24/433124624.db2.gz RSGGPJAZUQBPSQ-ZDUSSCGKSA-N 2 2 304.482 3.461 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000361357195 433127890 /nfs/dbraw/zinc/12/78/90/433127890.db2.gz WFKDIEOEMBCEPB-BEFAXECRSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000361357195 433127894 /nfs/dbraw/zinc/12/78/94/433127894.db2.gz WFKDIEOEMBCEPB-BEFAXECRSA-N 2 2 315.461 3.218 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1OC ZINC000280668808 433130016 /nfs/dbraw/zinc/13/00/16/433130016.db2.gz UAWLRZOAJWEYAT-CABCVRRESA-N 2 2 320.477 3.270 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937038 433131541 /nfs/dbraw/zinc/13/15/41/433131541.db2.gz BGQYIVZBETUMDI-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937038 433131552 /nfs/dbraw/zinc/13/15/52/433131552.db2.gz BGQYIVZBETUMDI-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937035 433132653 /nfs/dbraw/zinc/13/26/53/433132653.db2.gz BGQYIVZBETUMDI-AHRSYUTCSA-N 2 2 316.489 3.444 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000446937035 433132658 /nfs/dbraw/zinc/13/26/58/433132658.db2.gz BGQYIVZBETUMDI-AHRSYUTCSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420253504 433137978 /nfs/dbraw/zinc/13/79/78/433137978.db2.gz BCFFHIHFSDGNIY-KGLIPLIRSA-N 2 2 316.493 3.260 20 0 DGADLP C[C@H]1CCC[C@@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354549434 433144124 /nfs/dbraw/zinc/14/41/24/433144124.db2.gz YEGJXFFKVCWVKO-LCLWPZTBSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]1CCC[C@@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354549434 433144130 /nfs/dbraw/zinc/14/41/30/433144130.db2.gz YEGJXFFKVCWVKO-LCLWPZTBSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280711946 433144485 /nfs/dbraw/zinc/14/44/85/433144485.db2.gz UDVHGYPDZCHKEH-INIZCTEOSA-N 2 2 321.428 3.224 20 0 DGADLP CC(C)c1nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420275341 433144460 /nfs/dbraw/zinc/14/44/60/433144460.db2.gz FSQUPNSRIYTHRV-FZKQIMNGSA-N 2 2 304.482 3.319 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822288 433110618 /nfs/dbraw/zinc/11/06/18/433110618.db2.gz VYPBXJLNJAFHPX-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000446822288 433110625 /nfs/dbraw/zinc/11/06/25/433110625.db2.gz VYPBXJLNJAFHPX-WOJBJXKFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000453349741 433111775 /nfs/dbraw/zinc/11/17/75/433111775.db2.gz LXZDFPMCOVINGM-OFLUOSHYSA-N 2 2 319.396 3.438 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(C(F)(F)F)cs1 ZINC000453349741 433111781 /nfs/dbraw/zinc/11/17/81/433111781.db2.gz LXZDFPMCOVINGM-OFLUOSHYSA-N 2 2 319.396 3.438 20 0 DGADLP COC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)cc1 ZINC000354486918 433112166 /nfs/dbraw/zinc/11/21/66/433112166.db2.gz YUADAMPVTBDYBL-SFHVURJKSA-N 2 2 302.393 3.439 20 0 DGADLP CCCn1c(C[N@H+](C)CCCn2cc[nH+]c2)nc2ccccc21 ZINC000290607362 433113923 /nfs/dbraw/zinc/11/39/23/433113923.db2.gz WHEXGPZYQDZLGE-UHFFFAOYSA-N 2 2 311.433 3.165 20 0 DGADLP CCCn1c(C[N@@H+](C)CCCn2cc[nH+]c2)nc2ccccc21 ZINC000290607362 433113933 /nfs/dbraw/zinc/11/39/33/433113933.db2.gz WHEXGPZYQDZLGE-UHFFFAOYSA-N 2 2 311.433 3.165 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)c[nH+]1 ZINC000354497476 433115869 /nfs/dbraw/zinc/11/58/69/433115869.db2.gz ILUWAMGUCJFELE-LPHOPBHVSA-N 2 2 323.440 3.106 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c[nH+]1 ZINC000354497478 433115898 /nfs/dbraw/zinc/11/58/98/433115898.db2.gz ILUWAMGUCJFELE-QFBILLFUSA-N 2 2 323.440 3.106 20 0 DGADLP Cc1ccc(NC(=O)C[NH2+]Cc2c[nH+]cn2C(C)C)c(Cl)c1 ZINC000425371480 433207227 /nfs/dbraw/zinc/20/72/27/433207227.db2.gz QFVNGMGVANKRPT-UHFFFAOYSA-N 2 2 320.824 3.154 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420302882 433156188 /nfs/dbraw/zinc/15/61/88/433156188.db2.gz JVJYSAKAMLIVJO-LJQANCHMSA-N 2 2 313.445 3.124 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCc4ccccc43)CC2)nc1 ZINC000341604091 433158416 /nfs/dbraw/zinc/15/84/16/433158416.db2.gz JVJJQMLPOVZWIO-SFHVURJKSA-N 2 2 321.468 3.366 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453401073 433159622 /nfs/dbraw/zinc/15/96/22/433159622.db2.gz DKQYMMYJRONIBZ-FUHWJXTLSA-N 2 2 319.493 3.087 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453401073 433159634 /nfs/dbraw/zinc/15/96/34/433159634.db2.gz DKQYMMYJRONIBZ-FUHWJXTLSA-N 2 2 319.493 3.087 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000420316888 433160304 /nfs/dbraw/zinc/16/03/04/433160304.db2.gz NZAGTMTYENKCMC-GJZGRUSLSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000420316888 433160314 /nfs/dbraw/zinc/16/03/14/433160314.db2.gz NZAGTMTYENKCMC-GJZGRUSLSA-N 2 2 308.853 3.169 20 0 DGADLP Cc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(C)n1 ZINC000420312102 433161361 /nfs/dbraw/zinc/16/13/61/433161361.db2.gz OHUROABZDQICOK-FQEVSTJZSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c(C)n1 ZINC000420312102 433161370 /nfs/dbraw/zinc/16/13/70/433161370.db2.gz OHUROABZDQICOK-FQEVSTJZSA-N 2 2 324.472 3.238 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000425321290 433162065 /nfs/dbraw/zinc/16/20/65/433162065.db2.gz FDFRKOKFQMRLME-UHFFFAOYSA-N 2 2 304.482 3.162 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@H]1C ZINC000447177296 433168575 /nfs/dbraw/zinc/16/85/75/433168575.db2.gz NCEXOHJCIIIENU-UKRRQHHQSA-N 2 2 304.438 3.035 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)[nH+]c2C)C[C@H]1C ZINC000447177296 433168580 /nfs/dbraw/zinc/16/85/80/433168580.db2.gz NCEXOHJCIIIENU-UKRRQHHQSA-N 2 2 304.438 3.035 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2)n1 ZINC000420338011 433172406 /nfs/dbraw/zinc/17/24/06/433172406.db2.gz NIHUHKZKFGHPIH-KUHUBIRLSA-N 2 2 312.461 3.048 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2)n1 ZINC000420338011 433172411 /nfs/dbraw/zinc/17/24/11/433172411.db2.gz NIHUHKZKFGHPIH-KUHUBIRLSA-N 2 2 312.461 3.048 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(OC2CCCC2)n1 ZINC000298557771 433175570 /nfs/dbraw/zinc/17/55/70/433175570.db2.gz VQNKTDHZXDAJCL-UHFFFAOYSA-N 2 2 315.461 3.119 20 0 DGADLP C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335614 433175690 /nfs/dbraw/zinc/17/56/90/433175690.db2.gz IYBLQNLYWJOKPZ-SUMWQHHRSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335614 433175697 /nfs/dbraw/zinc/17/56/97/433175697.db2.gz IYBLQNLYWJOKPZ-SUMWQHHRSA-N 2 2 316.424 3.208 20 0 DGADLP CC(C)c1cccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420357512 433177367 /nfs/dbraw/zinc/17/73/67/433177367.db2.gz HZYMKJBENOLSDO-GOSISDBHSA-N 2 2 317.477 3.246 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1nc2ccccc2n1C(F)F ZINC000420356593 433177805 /nfs/dbraw/zinc/17/78/05/433177805.db2.gz CTYQMRHCQTVNNF-OZTPJHRESA-N 2 2 322.403 3.469 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)C1CCCCC1 ZINC000420352426 433177925 /nfs/dbraw/zinc/17/79/25/433177925.db2.gz ANJPRUFXLKZBLZ-CQSZACIVSA-N 2 2 305.447 3.400 20 0 DGADLP CC[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(Cl)cc1 ZINC000420371134 433180779 /nfs/dbraw/zinc/18/07/79/433180779.db2.gz KHIRHKJDZSUQIF-LBPRGKRZSA-N 2 2 308.813 3.158 20 0 DGADLP Cc1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000420369595 433182884 /nfs/dbraw/zinc/18/28/84/433182884.db2.gz XUANXQYEKJMESU-MRXNPFEDSA-N 2 2 323.868 3.084 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336723878 433184583 /nfs/dbraw/zinc/18/45/83/433184583.db2.gz WSZJKEUPUTWFIQ-LIRRHRJNSA-N 2 2 314.404 3.284 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cc(O)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000336723878 433184586 /nfs/dbraw/zinc/18/45/86/433184586.db2.gz WSZJKEUPUTWFIQ-LIRRHRJNSA-N 2 2 314.404 3.284 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000336716921 433185084 /nfs/dbraw/zinc/18/50/84/433185084.db2.gz QJWOGFIHUFUTOY-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000336716921 433185098 /nfs/dbraw/zinc/18/50/98/433185098.db2.gz QJWOGFIHUFUTOY-WDSOQIARSA-N 2 2 304.478 3.300 20 0 DGADLP CCn1c2cccc(F)c2nc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420372690 433186654 /nfs/dbraw/zinc/18/66/54/433186654.db2.gz QKRDZCFHWBRSLG-HNNXBMFYSA-N 2 2 318.440 3.193 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000354630826 433187513 /nfs/dbraw/zinc/18/75/13/433187513.db2.gz KZVZKXNUAQTXND-DBVUQKKJSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000354630826 433187521 /nfs/dbraw/zinc/18/75/21/433187521.db2.gz KZVZKXNUAQTXND-DBVUQKKJSA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)n1nccc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000280823097 433188247 /nfs/dbraw/zinc/18/82/47/433188247.db2.gz IVEYJVGQRKWHJC-QGZVFWFLSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1nccc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000280823097 433188255 /nfs/dbraw/zinc/18/82/55/433188255.db2.gz IVEYJVGQRKWHJC-QGZVFWFLSA-N 2 2 314.477 3.464 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445341 433189565 /nfs/dbraw/zinc/18/95/65/433189565.db2.gz YKJLJRQKNRDNJM-RHSMWYFYSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445341 433189578 /nfs/dbraw/zinc/18/95/78/433189578.db2.gz YKJLJRQKNRDNJM-RHSMWYFYSA-N 2 2 323.431 3.317 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382755 433190119 /nfs/dbraw/zinc/19/01/19/433190119.db2.gz DDFWNKZNYAGDSO-SJORKVTESA-N 2 2 311.429 3.306 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382755 433190131 /nfs/dbraw/zinc/19/01/31/433190131.db2.gz DDFWNKZNYAGDSO-SJORKVTESA-N 2 2 311.429 3.306 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382751 433193501 /nfs/dbraw/zinc/19/35/01/433193501.db2.gz DDFWNKZNYAGDSO-IAGOWNOFSA-N 2 2 311.429 3.306 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)oc1-c1ccccc1 ZINC000420382751 433193508 /nfs/dbraw/zinc/19/35/08/433193508.db2.gz DDFWNKZNYAGDSO-IAGOWNOFSA-N 2 2 311.429 3.306 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000361481064 433197542 /nfs/dbraw/zinc/19/75/42/433197542.db2.gz JGZOFXITVHXLAT-OTWHNJEPSA-N 2 2 302.462 3.056 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000361481064 433197549 /nfs/dbraw/zinc/19/75/49/433197549.db2.gz JGZOFXITVHXLAT-OTWHNJEPSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420416276 433200375 /nfs/dbraw/zinc/20/03/75/433200375.db2.gz VRIRGRCMFNAOCH-SMDDNHRTSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420416276 433200383 /nfs/dbraw/zinc/20/03/83/433200383.db2.gz VRIRGRCMFNAOCH-SMDDNHRTSA-N 2 2 305.447 3.128 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)n1 ZINC000361494129 433204956 /nfs/dbraw/zinc/20/49/56/433204956.db2.gz XCWKLHNOLKJAAL-CYBMUJFWSA-N 2 2 307.401 3.130 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)n1C ZINC000425369162 433206715 /nfs/dbraw/zinc/20/67/15/433206715.db2.gz LKZONROKMZHDLV-KRWDZBQOSA-N 2 2 310.445 3.213 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)n1C ZINC000425369162 433206722 /nfs/dbraw/zinc/20/67/22/433206722.db2.gz LKZONROKMZHDLV-KRWDZBQOSA-N 2 2 310.445 3.213 20 0 DGADLP CC(C)n1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000425385221 433218818 /nfs/dbraw/zinc/21/88/18/433218818.db2.gz RFCVHZNJJQXTEH-UHFFFAOYSA-N 2 2 318.440 3.167 20 0 DGADLP CCC[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000337405453 433229355 /nfs/dbraw/zinc/22/93/55/433229355.db2.gz JFIMKLDXPPTHEO-XYJFISCASA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000337405453 433229361 /nfs/dbraw/zinc/22/93/61/433229361.db2.gz JFIMKLDXPPTHEO-XYJFISCASA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000337405453 433229371 /nfs/dbraw/zinc/22/93/71/433229371.db2.gz JFIMKLDXPPTHEO-XYJFISCASA-N 2 2 306.498 3.314 20 0 DGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000337405453 433229377 /nfs/dbraw/zinc/22/93/77/433229377.db2.gz JFIMKLDXPPTHEO-XYJFISCASA-N 2 2 306.498 3.314 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000447569803 433231212 /nfs/dbraw/zinc/23/12/12/433231212.db2.gz DLBXPJLNJNEGIW-JMSVASOKSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000447569803 433231220 /nfs/dbraw/zinc/23/12/20/433231220.db2.gz DLBXPJLNJNEGIW-JMSVASOKSA-N 2 2 311.267 3.440 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337583111 433244267 /nfs/dbraw/zinc/24/42/67/433244267.db2.gz JVNOBYGDYCGKAS-KGLIPLIRSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337583111 433244276 /nfs/dbraw/zinc/24/42/76/433244276.db2.gz JVNOBYGDYCGKAS-KGLIPLIRSA-N 2 2 314.351 3.302 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000420921908 433318847 /nfs/dbraw/zinc/31/88/47/433318847.db2.gz MVDVJSQBRJKVEQ-UKRRQHHQSA-N 2 2 312.889 3.064 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350748555 433274155 /nfs/dbraw/zinc/27/41/55/433274155.db2.gz QLNDMRIXANWXHR-HZPDHXFCSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350748555 433274160 /nfs/dbraw/zinc/27/41/60/433274160.db2.gz QLNDMRIXANWXHR-HZPDHXFCSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000350748555 433274183 /nfs/dbraw/zinc/27/41/83/433274183.db2.gz QLNDMRIXANWXHR-HZPDHXFCSA-N 2 2 305.466 3.323 20 0 DGADLP CCc1nocc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000350748555 433274189 /nfs/dbraw/zinc/27/41/89/433274189.db2.gz QLNDMRIXANWXHR-HZPDHXFCSA-N 2 2 305.466 3.323 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccccc3C)CC2)c1 ZINC000361620275 433294413 /nfs/dbraw/zinc/29/44/13/433294413.db2.gz PWOBWSBWGIQEFC-INIZCTEOSA-N 2 2 311.429 3.282 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[NH+](C)C ZINC000291650332 433300383 /nfs/dbraw/zinc/30/03/83/433300383.db2.gz CRFPIRZOSFFIQM-OAHLLOKOSA-N 3 2 323.912 3.092 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905440 433304623 /nfs/dbraw/zinc/30/46/23/433304623.db2.gz QVAIDGRJQDJFJS-IBGZPJMESA-N 2 2 302.462 3.283 20 0 DGADLP CC[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905440 433304631 /nfs/dbraw/zinc/30/46/31/433304631.db2.gz QVAIDGRJQDJFJS-IBGZPJMESA-N 2 2 302.462 3.283 20 0 DGADLP CC1(C)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420910147 433307163 /nfs/dbraw/zinc/30/71/63/433307163.db2.gz DZBCLAYZDOIUOJ-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CC1(C)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420910147 433307173 /nfs/dbraw/zinc/30/71/73/433307173.db2.gz DZBCLAYZDOIUOJ-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914607 433307335 /nfs/dbraw/zinc/30/73/35/433307335.db2.gz CKZUIIKZUUFAJA-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914607 433307343 /nfs/dbraw/zinc/30/73/43/433307343.db2.gz CKZUIIKZUUFAJA-QFBILLFUSA-N 2 2 302.462 3.139 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000281582227 433312674 /nfs/dbraw/zinc/31/26/74/433312674.db2.gz LCRIVQLHDCMMKZ-ZMMAXQRCSA-N 2 2 313.489 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000281582227 433312683 /nfs/dbraw/zinc/31/26/83/433312683.db2.gz LCRIVQLHDCMMKZ-ZMMAXQRCSA-N 2 2 313.489 3.489 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448032873 433355570 /nfs/dbraw/zinc/35/55/70/433355570.db2.gz XMDGWVXWWASNNX-LTIDMASMSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448032873 433355579 /nfs/dbraw/zinc/35/55/79/433355579.db2.gz XMDGWVXWWASNNX-LTIDMASMSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000341922386 433360311 /nfs/dbraw/zinc/36/03/11/433360311.db2.gz NORNARAEJHLAPA-UHFFFAOYSA-N 2 2 313.367 3.161 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000341922386 433360315 /nfs/dbraw/zinc/36/03/15/433360315.db2.gz NORNARAEJHLAPA-UHFFFAOYSA-N 2 2 313.367 3.161 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C2 ZINC000425913315 433375412 /nfs/dbraw/zinc/37/54/12/433375412.db2.gz GMOGOIFBWVZLKX-SJORKVTESA-N 2 2 304.478 3.118 20 0 DGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H]1CC=CCC1 ZINC000420930458 433326786 /nfs/dbraw/zinc/32/67/86/433326786.db2.gz FNKNKAYHCPRZBM-SFHVURJKSA-N 2 2 314.473 3.307 20 0 DGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H]1CC=CCC1 ZINC000420930458 433326796 /nfs/dbraw/zinc/32/67/96/433326796.db2.gz FNKNKAYHCPRZBM-SFHVURJKSA-N 2 2 314.473 3.307 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000341873885 433331823 /nfs/dbraw/zinc/33/18/23/433331823.db2.gz HSLNGNZFTUIFHQ-QFBILLFUSA-N 2 2 316.445 3.176 20 0 DGADLP CC[C@@H](C)C[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894095 433344591 /nfs/dbraw/zinc/34/45/91/433344591.db2.gz JJKFVJCOQXFTIW-IEBWSBKVSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341894095 433344596 /nfs/dbraw/zinc/34/45/96/433344596.db2.gz JJKFVJCOQXFTIW-IEBWSBKVSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H](C)C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341894095 433344604 /nfs/dbraw/zinc/34/46/04/433344604.db2.gz JJKFVJCOQXFTIW-IEBWSBKVSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H](C)C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341894095 433344609 /nfs/dbraw/zinc/34/46/09/433344609.db2.gz JJKFVJCOQXFTIW-IEBWSBKVSA-N 2 2 304.478 3.255 20 0 DGADLP Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425968240 433389488 /nfs/dbraw/zinc/38/94/88/433389488.db2.gz RYJGFYXQQBSRPT-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425968240 433389496 /nfs/dbraw/zinc/38/94/96/433389496.db2.gz RYJGFYXQQBSRPT-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425968240 433389500 /nfs/dbraw/zinc/38/95/00/433389500.db2.gz RYJGFYXQQBSRPT-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425968240 433389507 /nfs/dbraw/zinc/38/95/07/433389507.db2.gz RYJGFYXQQBSRPT-OAQYLSRUSA-N 2 2 324.468 3.064 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414097104 433393641 /nfs/dbraw/zinc/39/36/41/433393641.db2.gz IBFIYWMOIOGBAA-BQFCYCMXSA-N 2 2 318.509 3.381 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSCc1ccccc1 ZINC000361801217 433395652 /nfs/dbraw/zinc/39/56/52/433395652.db2.gz VVFXLWCYTBHYPI-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSCc1ccccc1 ZINC000361801217 433395659 /nfs/dbraw/zinc/39/56/59/433395659.db2.gz VVFXLWCYTBHYPI-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCSCc1ccccc1 ZINC000361801217 433395668 /nfs/dbraw/zinc/39/56/68/433395668.db2.gz VVFXLWCYTBHYPI-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCSCc1ccccc1 ZINC000361801217 433395677 /nfs/dbraw/zinc/39/56/77/433395677.db2.gz VVFXLWCYTBHYPI-MSOLQXFVSA-N 2 2 304.503 3.478 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361810747 433399481 /nfs/dbraw/zinc/39/94/81/433399481.db2.gz GEZWCHXKMTWNLV-HLLBOEOZSA-N 2 2 301.434 3.320 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000375281603 433407022 /nfs/dbraw/zinc/40/70/22/433407022.db2.gz NVRNTQDHILMLHO-QGZVFWFLSA-N 2 2 323.362 3.431 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000375281603 433407028 /nfs/dbraw/zinc/40/70/28/433407028.db2.gz NVRNTQDHILMLHO-QGZVFWFLSA-N 2 2 323.362 3.431 20 0 DGADLP COc1cccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)c1 ZINC000301082386 433407116 /nfs/dbraw/zinc/40/71/16/433407116.db2.gz OIWRTLHGTGTVSJ-QGZVFWFLSA-N 2 2 310.401 3.286 20 0 DGADLP C[C@@H](C[NH2+]Cc1conc1Cc1ccccc1)C[NH+]1CCCC1 ZINC000339183985 433424075 /nfs/dbraw/zinc/42/40/75/433424075.db2.gz GNJRHXBNSFNTDX-INIZCTEOSA-N 2 2 313.445 3.087 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000339242008 433462251 /nfs/dbraw/zinc/46/22/51/433462251.db2.gz YSZPUIFPWLRGRB-CYBMUJFWSA-N 2 2 313.536 3.216 20 0 DGADLP CSCc1cnc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000339242008 433462272 /nfs/dbraw/zinc/46/22/72/433462272.db2.gz YSZPUIFPWLRGRB-CYBMUJFWSA-N 2 2 313.536 3.216 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC000342083777 433459311 /nfs/dbraw/zinc/45/93/11/433459311.db2.gz KUTGPRJPESGPSF-FVQBIDKESA-N 2 2 305.491 3.360 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC000342083777 433459318 /nfs/dbraw/zinc/45/93/18/433459318.db2.gz KUTGPRJPESGPSF-FVQBIDKESA-N 2 2 305.491 3.360 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000361980154 433480657 /nfs/dbraw/zinc/48/06/57/433480657.db2.gz HRDRTLLOXFLPRV-JCGIZDLHSA-N 2 2 300.446 3.281 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000361980154 433480668 /nfs/dbraw/zinc/48/06/68/433480668.db2.gz HRDRTLLOXFLPRV-JCGIZDLHSA-N 2 2 300.446 3.281 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1N(C)C ZINC000361980240 433481316 /nfs/dbraw/zinc/48/13/16/433481316.db2.gz ISPSNBIPLWBQNV-IGCXYCKISA-N 2 2 305.441 3.025 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1N(C)C ZINC000361980240 433481324 /nfs/dbraw/zinc/48/13/24/433481324.db2.gz ISPSNBIPLWBQNV-IGCXYCKISA-N 2 2 305.441 3.025 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnn(C(C)C)c2)[nH+]1 ZINC000362087105 433517083 /nfs/dbraw/zinc/51/70/83/433517083.db2.gz OXABEHQNBBKDDZ-QGZVFWFLSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnn(C(C)C)c2)[nH+]1 ZINC000362087105 433517089 /nfs/dbraw/zinc/51/70/89/433517089.db2.gz OXABEHQNBBKDDZ-QGZVFWFLSA-N 2 2 313.449 3.244 20 0 DGADLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355203912 433530535 /nfs/dbraw/zinc/53/05/35/433530535.db2.gz FUNXPUCOAUWNKX-FUHWJXTLSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355203912 433530542 /nfs/dbraw/zinc/53/05/42/433530542.db2.gz FUNXPUCOAUWNKX-FUHWJXTLSA-N 2 2 324.472 3.091 20 0 DGADLP Cc1nc2ccccn2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355203912 433530561 /nfs/dbraw/zinc/53/05/61/433530561.db2.gz FUNXPUCOAUWNKX-FUHWJXTLSA-N 2 2 324.472 3.091 20 0 DGADLP CCc1[nH+]c2ccccc2n1Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339358992 433531268 /nfs/dbraw/zinc/53/12/68/433531268.db2.gz GHSABJWVLZIVBW-LBPRGKRZSA-N 2 2 313.405 3.076 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)sc2C1 ZINC000355209035 433537943 /nfs/dbraw/zinc/53/79/43/433537943.db2.gz QCLNSXJYHZWSGZ-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)sc2C1 ZINC000355209035 433537952 /nfs/dbraw/zinc/53/79/52/433537952.db2.gz QCLNSXJYHZWSGZ-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)sc2C1 ZINC000355209035 433537959 /nfs/dbraw/zinc/53/79/59/433537959.db2.gz QCLNSXJYHZWSGZ-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)sc2C1 ZINC000355209035 433537968 /nfs/dbraw/zinc/53/79/68/433537968.db2.gz QCLNSXJYHZWSGZ-IJEWVQPXSA-N 2 2 319.518 3.184 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(C)ccc2Br)CC1 ZINC000414262335 433495268 /nfs/dbraw/zinc/49/52/68/433495268.db2.gz OGZSOCFHDNEAPH-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP C[C@H]([C@H](C)Nc1cc[nH+]c2ccc(Cl)cc12)[NH+]1CCOCC1 ZINC000301292768 433495472 /nfs/dbraw/zinc/49/54/72/433495472.db2.gz QUOADCUNRPOAPZ-QWHCGFSZSA-N 2 2 319.836 3.409 20 0 DGADLP c1cn(Cc2ccc(NCc3cccc(C4CC4)c3)[nH+]c2)c[nH+]1 ZINC000421354779 433496654 /nfs/dbraw/zinc/49/66/54/433496654.db2.gz HRROCLNRGCMPFA-UHFFFAOYSA-N 2 2 304.397 3.238 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000414265915 433499429 /nfs/dbraw/zinc/49/94/29/433499429.db2.gz LYGYVPTUFWDYBI-UHFFFAOYSA-N 2 2 318.440 3.140 20 0 DGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000414265915 433499435 /nfs/dbraw/zinc/49/94/35/433499435.db2.gz LYGYVPTUFWDYBI-UHFFFAOYSA-N 2 2 318.440 3.140 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000414270869 433501428 /nfs/dbraw/zinc/50/14/28/433501428.db2.gz WQEKMHQTZABNSY-SWLSCSKDSA-N 2 2 311.267 3.187 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000414270869 433501435 /nfs/dbraw/zinc/50/14/35/433501435.db2.gz WQEKMHQTZABNSY-SWLSCSKDSA-N 2 2 311.267 3.187 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293791 433504203 /nfs/dbraw/zinc/50/42/03/433504203.db2.gz PPKCPFYUCBWOMH-QAPCUYQASA-N 2 2 313.445 3.380 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293791 433504212 /nfs/dbraw/zinc/50/42/12/433504212.db2.gz PPKCPFYUCBWOMH-QAPCUYQASA-N 2 2 313.445 3.380 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H]4CCC[C@H]43)C2)cc1 ZINC000342157232 433504688 /nfs/dbraw/zinc/50/46/88/433504688.db2.gz FTLAUTGIXRMZNA-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H]4CCC[C@H]43)C2)cc1 ZINC000342157232 433504696 /nfs/dbraw/zinc/50/46/96/433504696.db2.gz FTLAUTGIXRMZNA-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H]4CCC[C@H]43)C2)cc1 ZINC000342157232 433504705 /nfs/dbraw/zinc/50/47/05/433504705.db2.gz FTLAUTGIXRMZNA-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H]4CCC[C@H]43)C2)cc1 ZINC000342157232 433504711 /nfs/dbraw/zinc/50/47/11/433504711.db2.gz FTLAUTGIXRMZNA-HSALFYBXSA-N 2 2 314.473 3.152 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1C ZINC000414333182 433548718 /nfs/dbraw/zinc/54/87/18/433548718.db2.gz WDAVCIQAPNXFPF-KRWDZBQOSA-N 2 2 316.424 3.256 20 0 DGADLP Cc1ccc(CCCN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c[nH+]1 ZINC000339410895 433561581 /nfs/dbraw/zinc/56/15/81/433561581.db2.gz ZDFIFHNVYHGHDZ-LJQANCHMSA-N 2 2 313.420 3.108 20 0 DGADLP Clc1cccc2c(NC[C@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000342240096 433561507 /nfs/dbraw/zinc/56/15/07/433561507.db2.gz XJFKXWCDHGPHRC-ZDUSSCGKSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1cccc2c(NC[C@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000342240096 433561517 /nfs/dbraw/zinc/56/15/17/433561517.db2.gz XJFKXWCDHGPHRC-ZDUSSCGKSA-N 2 2 317.820 3.163 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000339408577 433562277 /nfs/dbraw/zinc/56/22/77/433562277.db2.gz TZDUAMLFHUWLFR-UHFFFAOYSA-N 2 2 300.450 3.123 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000339408577 433562283 /nfs/dbraw/zinc/56/22/83/433562283.db2.gz TZDUAMLFHUWLFR-UHFFFAOYSA-N 2 2 300.450 3.123 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427490 433573894 /nfs/dbraw/zinc/57/38/94/433573894.db2.gz VUKAJSZCACLWKH-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427490 433573899 /nfs/dbraw/zinc/57/38/99/433573899.db2.gz VUKAJSZCACLWKH-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427490 433573903 /nfs/dbraw/zinc/57/39/03/433573903.db2.gz VUKAJSZCACLWKH-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427490 433573909 /nfs/dbraw/zinc/57/39/09/433573909.db2.gz VUKAJSZCACLWKH-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339432159 433580627 /nfs/dbraw/zinc/58/06/27/433580627.db2.gz GIJWOFQJJXMRRE-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339432159 433580639 /nfs/dbraw/zinc/58/06/39/433580639.db2.gz GIJWOFQJJXMRRE-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339432159 433580648 /nfs/dbraw/zinc/58/06/48/433580648.db2.gz GIJWOFQJJXMRRE-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339432159 433580659 /nfs/dbraw/zinc/58/06/59/433580659.db2.gz GIJWOFQJJXMRRE-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339447680 433592110 /nfs/dbraw/zinc/59/21/10/433592110.db2.gz RSMLBZJMRHNSDH-AWEZNQCLSA-N 2 2 319.371 3.013 20 0 DGADLP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000414388964 433592820 /nfs/dbraw/zinc/59/28/20/433592820.db2.gz DQFIZGAMOCOHEE-LJQANCHMSA-N 2 2 320.452 3.246 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000376040930 433648854 /nfs/dbraw/zinc/64/88/54/433648854.db2.gz DDCLQNIXJISIDB-HNNXBMFYSA-N 2 2 308.466 3.133 20 0 DGADLP CC(C)Cc1ccc([C@@H](C[NH2+]CC2=CCCOC2)[NH+](C)C)cc1 ZINC000342298050 433598027 /nfs/dbraw/zinc/59/80/27/433598027.db2.gz LITHXICCTPWMKZ-HXUWFJFHSA-N 2 2 316.489 3.424 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356526132 433601126 /nfs/dbraw/zinc/60/11/26/433601126.db2.gz MJOHJNRNDNVBKB-MSOLQXFVSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356526132 433601133 /nfs/dbraw/zinc/60/11/33/433601133.db2.gz MJOHJNRNDNVBKB-MSOLQXFVSA-N 2 2 300.446 3.356 20 0 DGADLP Cc1nc(NC2CC[NH+](CC(C)C)CC2)c2c([nH+]1)CCCC2 ZINC000301542775 433602048 /nfs/dbraw/zinc/60/20/48/433602048.db2.gz CXZYSXVOPMZPPX-UHFFFAOYSA-N 2 2 302.466 3.196 20 0 DGADLP OCC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000342304692 433604135 /nfs/dbraw/zinc/60/41/35/433604135.db2.gz PKWXOINNZBEBGO-MRXNPFEDSA-N 2 2 315.804 3.201 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(OC)c1 ZINC000315089878 292891144 /nfs/dbraw/zinc/89/11/44/292891144.db2.gz HGAQFKHZWWYZJI-AWEZNQCLSA-N 2 2 303.406 3.031 20 0 DGADLP C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000282431205 433606684 /nfs/dbraw/zinc/60/66/84/433606684.db2.gz DFTKHIGZGMLGHX-AWEZNQCLSA-N 2 2 324.432 3.070 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000282439496 433610787 /nfs/dbraw/zinc/61/07/87/433610787.db2.gz ZJHBGPYRQUOUKW-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000282439496 433610794 /nfs/dbraw/zinc/61/07/94/433610794.db2.gz ZJHBGPYRQUOUKW-WDSOQIARSA-N 2 2 304.478 3.302 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000351608096 433611747 /nfs/dbraw/zinc/61/17/47/433611747.db2.gz YVYRCPARJKPTGK-AWEZNQCLSA-N 2 2 308.470 3.273 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000342317358 433612753 /nfs/dbraw/zinc/61/27/53/433612753.db2.gz XQSKURZTLRLQSC-KZJOSYIESA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000342317358 433612760 /nfs/dbraw/zinc/61/27/60/433612760.db2.gz XQSKURZTLRLQSC-KZJOSYIESA-N 2 2 307.441 3.347 20 0 DGADLP C[N@H+](Cc1cccc2c1OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000414437197 433615254 /nfs/dbraw/zinc/61/52/54/433615254.db2.gz HRQRYXROOPFFTK-PBWFPOADSA-N 2 2 324.371 3.065 20 0 DGADLP C[N@@H+](Cc1cccc2c1OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000414437197 433615263 /nfs/dbraw/zinc/61/52/63/433615263.db2.gz HRQRYXROOPFFTK-PBWFPOADSA-N 2 2 324.371 3.065 20 0 DGADLP C[NH+](Cc1cccc2c1OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000414437197 433615269 /nfs/dbraw/zinc/61/52/69/433615269.db2.gz HRQRYXROOPFFTK-PBWFPOADSA-N 2 2 324.371 3.065 20 0 DGADLP C[NH+](Cc1cccc2c1OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000414437197 433615275 /nfs/dbraw/zinc/61/52/75/433615275.db2.gz HRQRYXROOPFFTK-PBWFPOADSA-N 2 2 324.371 3.065 20 0 DGADLP CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376065567 433654921 /nfs/dbraw/zinc/65/49/21/433654921.db2.gz HLUQITPFLLMZTP-OOKSDGMUSA-N 2 2 323.525 3.019 20 0 DGADLP CCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376065567 433654927 /nfs/dbraw/zinc/65/49/27/433654927.db2.gz HLUQITPFLLMZTP-OOKSDGMUSA-N 2 2 323.525 3.019 20 0 DGADLP Clc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427118950 433655462 /nfs/dbraw/zinc/65/54/62/433655462.db2.gz CZTGQUKRNUJZQX-BBRMVZONSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427118950 433655472 /nfs/dbraw/zinc/65/54/72/433655472.db2.gz CZTGQUKRNUJZQX-BBRMVZONSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427120219 433655494 /nfs/dbraw/zinc/65/54/94/433655494.db2.gz AOQKPDHVOSAMIY-XJKSGUPXSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427120219 433655500 /nfs/dbraw/zinc/65/55/00/433655500.db2.gz AOQKPDHVOSAMIY-XJKSGUPXSA-N 2 2 301.821 3.072 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(OC(F)F)cc1C ZINC000427112266 433656036 /nfs/dbraw/zinc/65/60/36/433656036.db2.gz AXGWMQLKJSXQPW-UKRRQHHQSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(OC(F)F)cc1C ZINC000427112266 433656044 /nfs/dbraw/zinc/65/60/44/433656044.db2.gz AXGWMQLKJSXQPW-UKRRQHHQSA-N 2 2 310.388 3.089 20 0 DGADLP Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650565 433658371 /nfs/dbraw/zinc/65/83/71/433658371.db2.gz GHMVKSMEMJLZAA-FZKQIMNGSA-N 2 2 310.445 3.477 20 0 DGADLP Cc1nc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650565 433658376 /nfs/dbraw/zinc/65/83/76/433658376.db2.gz GHMVKSMEMJLZAA-FZKQIMNGSA-N 2 2 310.445 3.477 20 0 DGADLP COc1cc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000339573738 433660766 /nfs/dbraw/zinc/66/07/66/433660766.db2.gz ORHJFDADPKADEM-OCCSQVGLSA-N 2 2 308.853 3.106 20 0 DGADLP COc1cc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000339573738 433660774 /nfs/dbraw/zinc/66/07/74/433660774.db2.gz ORHJFDADPKADEM-OCCSQVGLSA-N 2 2 308.853 3.106 20 0 DGADLP COc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000339573739 433663586 /nfs/dbraw/zinc/66/35/86/433663586.db2.gz ORHJFDADPKADEM-TZMCWYRMSA-N 2 2 308.853 3.106 20 0 DGADLP COc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000339573739 433663592 /nfs/dbraw/zinc/66/35/92/433663592.db2.gz ORHJFDADPKADEM-TZMCWYRMSA-N 2 2 308.853 3.106 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2ccccc2s1 ZINC000376215165 433692791 /nfs/dbraw/zinc/69/27/91/433692791.db2.gz DUEWXSJHEUZPRL-IMJJTQAJSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2ccccc2s1 ZINC000376215165 433692797 /nfs/dbraw/zinc/69/27/97/433692797.db2.gz DUEWXSJHEUZPRL-IMJJTQAJSA-N 2 2 316.470 3.415 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025718 433678344 /nfs/dbraw/zinc/67/83/44/433678344.db2.gz CMAQWVGDSPMZNN-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025718 433678354 /nfs/dbraw/zinc/67/83/54/433678354.db2.gz CMAQWVGDSPMZNN-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025718 433678366 /nfs/dbraw/zinc/67/83/66/433678366.db2.gz CMAQWVGDSPMZNN-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025718 433678374 /nfs/dbraw/zinc/67/83/74/433678374.db2.gz CMAQWVGDSPMZNN-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP Oc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000351730716 433691652 /nfs/dbraw/zinc/69/16/52/433691652.db2.gz RBNMJCQKYRFTIL-AWEZNQCLSA-N 2 2 304.777 3.094 20 0 DGADLP Oc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000351730716 433691660 /nfs/dbraw/zinc/69/16/60/433691660.db2.gz RBNMJCQKYRFTIL-AWEZNQCLSA-N 2 2 304.777 3.094 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1OCC ZINC000427099479 433651501 /nfs/dbraw/zinc/65/15/01/433651501.db2.gz HVYKQTKRMFKXDB-NVXWUHKLSA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1OCC ZINC000427099479 433651511 /nfs/dbraw/zinc/65/15/11/433651511.db2.gz HVYKQTKRMFKXDB-NVXWUHKLSA-N 2 2 318.461 3.058 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367079344 293021945 /nfs/dbraw/zinc/02/19/45/293021945.db2.gz GAGVXKWEGIYHIR-ROUUACIJSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356525 293059503 /nfs/dbraw/zinc/05/95/03/293059503.db2.gz NSCKPTVSLARIJH-UHFFFAOYSA-N 3 2 301.478 3.130 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356525 293059505 /nfs/dbraw/zinc/05/95/05/293059505.db2.gz NSCKPTVSLARIJH-UHFFFAOYSA-N 3 2 301.478 3.130 20 0 DGADLP CC(C)n1c(C[NH2+]Cc2c[nH+]c3n2CCCC3)nc2ccccc21 ZINC000367415395 293069515 /nfs/dbraw/zinc/06/95/15/293069515.db2.gz MYYXBHXIXWGLDZ-UHFFFAOYSA-N 2 2 323.444 3.440 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367435971 293071881 /nfs/dbraw/zinc/07/18/81/293071881.db2.gz DGMNMGOTSSWBBF-CYBMUJFWSA-N 2 2 312.417 3.029 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccnn1-c1ccccc1 ZINC000367439557 293072750 /nfs/dbraw/zinc/07/27/50/293072750.db2.gz VMKUREICEFJPJZ-HNNXBMFYSA-N 2 2 321.428 3.256 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)c(F)c(F)c1 ZINC000367439939 293073462 /nfs/dbraw/zinc/07/34/62/293073462.db2.gz YJZAGXCXHZWISY-JTQLQIEISA-N 2 2 309.335 3.488 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]CCSCc1ccccc1)CCCC2 ZINC000368488739 293127079 /nfs/dbraw/zinc/12/70/79/293127079.db2.gz SPNOXXMDUYXPRP-UHFFFAOYSA-N 2 2 301.459 3.242 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000449045798 433702841 /nfs/dbraw/zinc/70/28/41/433702841.db2.gz JDQNNCUYNSQTMZ-QAPCUYQASA-N 2 2 313.449 3.278 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000449045798 433702849 /nfs/dbraw/zinc/70/28/49/433702849.db2.gz JDQNNCUYNSQTMZ-QAPCUYQASA-N 2 2 313.449 3.278 20 0 DGADLP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000183078122 293169117 /nfs/dbraw/zinc/16/91/17/293169117.db2.gz BRCYDJRQXQRUDD-ZQIUZPCESA-N 2 2 312.404 3.115 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449046741 433706490 /nfs/dbraw/zinc/70/64/90/433706490.db2.gz LZAQDLZPXAJGNU-CXAGYDPISA-N 2 2 303.381 3.114 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449046741 433706497 /nfs/dbraw/zinc/70/64/97/433706497.db2.gz LZAQDLZPXAJGNU-CXAGYDPISA-N 2 2 303.381 3.114 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000371278169 293208605 /nfs/dbraw/zinc/20/86/05/293208605.db2.gz WUUJTTAGYILYPQ-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000371278169 293208609 /nfs/dbraw/zinc/20/86/09/293208609.db2.gz WUUJTTAGYILYPQ-QZTJIDSGSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000449045799 433709106 /nfs/dbraw/zinc/70/91/06/433709106.db2.gz JDQNNCUYNSQTMZ-YJBOKZPZSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000449045799 433709116 /nfs/dbraw/zinc/70/91/16/433709116.db2.gz JDQNNCUYNSQTMZ-YJBOKZPZSA-N 2 2 313.449 3.278 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000372987929 293248314 /nfs/dbraw/zinc/24/83/14/293248314.db2.gz ALYTYEBTRVCNFJ-INIZCTEOSA-N 2 2 317.408 3.397 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000372987929 293248316 /nfs/dbraw/zinc/24/83/16/293248316.db2.gz ALYTYEBTRVCNFJ-INIZCTEOSA-N 2 2 317.408 3.397 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373562273 293290946 /nfs/dbraw/zinc/29/09/46/293290946.db2.gz TVSSVSIWJDCKJV-MJGOQNOKSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000373562273 293290948 /nfs/dbraw/zinc/29/09/48/293290948.db2.gz TVSSVSIWJDCKJV-MJGOQNOKSA-N 2 2 324.472 3.052 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000373807127 293318313 /nfs/dbraw/zinc/31/83/13/293318313.db2.gz RGXNBBROLMCWME-UHFFFAOYSA-N 2 2 308.491 3.375 20 0 DGADLP CC[N@@H+](Cc1cc(C)on1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362443199 433717684 /nfs/dbraw/zinc/71/76/84/433717684.db2.gz YPTOZQIFJNHKIP-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[N@H+](Cc1cc(C)on1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362443199 433717692 /nfs/dbraw/zinc/71/76/92/433717692.db2.gz YPTOZQIFJNHKIP-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1cc(C)on1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362443199 433717699 /nfs/dbraw/zinc/71/76/99/433717699.db2.gz YPTOZQIFJNHKIP-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1cc(C)on1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362443199 433717707 /nfs/dbraw/zinc/71/77/07/433717707.db2.gz YPTOZQIFJNHKIP-GOSISDBHSA-N 2 2 313.445 3.327 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356844255 433727341 /nfs/dbraw/zinc/72/73/41/433727341.db2.gz HPHYSWMNJFPYBD-QXAKKESOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356844255 433727346 /nfs/dbraw/zinc/72/73/46/433727346.db2.gz HPHYSWMNJFPYBD-QXAKKESOSA-N 2 2 302.462 3.056 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000427886749 433748580 /nfs/dbraw/zinc/74/85/80/433748580.db2.gz QLWMKQNIWASQLG-GDBMZVCRSA-N 2 2 309.413 3.234 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000356885343 433750104 /nfs/dbraw/zinc/75/01/04/433750104.db2.gz XHIDDOHQYPHKQQ-QXAKKESOSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853162 433753773 /nfs/dbraw/zinc/75/37/73/433753773.db2.gz NZIGJIWBVSWDAU-KBPBESRZSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853162 433753785 /nfs/dbraw/zinc/75/37/85/433753785.db2.gz NZIGJIWBVSWDAU-KBPBESRZSA-N 2 2 316.474 3.364 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862710 433756625 /nfs/dbraw/zinc/75/66/25/433756625.db2.gz PXLHNUSHPSFKJU-NEPJUHHUSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862710 433756635 /nfs/dbraw/zinc/75/66/35/433756635.db2.gz PXLHNUSHPSFKJU-NEPJUHHUSA-N 2 2 305.422 3.118 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@H]3CCc4cccnc4CC3)c2)c[nH+]1 ZINC000421835007 433759290 /nfs/dbraw/zinc/75/92/90/433759290.db2.gz PHFKTPOQUAVZEX-SFHVURJKSA-N 2 2 318.424 3.305 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449755635 433767380 /nfs/dbraw/zinc/76/73/80/433767380.db2.gz NRASPGIDPGRPDW-NXWXRZEISA-N 2 2 302.462 3.369 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449755635 433767389 /nfs/dbraw/zinc/76/73/89/433767389.db2.gz NRASPGIDPGRPDW-NXWXRZEISA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549191 433771242 /nfs/dbraw/zinc/77/12/42/433771242.db2.gz VGKZCBQQPKZIQV-SJLPKXTDSA-N 2 2 304.478 3.210 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000376549191 433771250 /nfs/dbraw/zinc/77/12/50/433771250.db2.gz VGKZCBQQPKZIQV-SJLPKXTDSA-N 2 2 304.478 3.210 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000449086161 433724242 /nfs/dbraw/zinc/72/42/42/433724242.db2.gz BATXVONZFFTWEO-OUCADQQQSA-N 2 2 310.363 3.308 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000449086161 433724247 /nfs/dbraw/zinc/72/42/47/433724247.db2.gz BATXVONZFFTWEO-OUCADQQQSA-N 2 2 310.363 3.308 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OC ZINC000414771865 433823030 /nfs/dbraw/zinc/82/30/30/433823030.db2.gz SCZQBMKWISEVKP-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OC ZINC000414771865 433823037 /nfs/dbraw/zinc/82/30/37/433823037.db2.gz SCZQBMKWISEVKP-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1OCC ZINC000414770563 433823887 /nfs/dbraw/zinc/82/38/87/433823887.db2.gz PALYWUWNCPXSHN-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1OCC ZINC000414770563 433823897 /nfs/dbraw/zinc/82/38/97/433823897.db2.gz PALYWUWNCPXSHN-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1OCC ZINC000414770561 433824406 /nfs/dbraw/zinc/82/44/06/433824406.db2.gz PALYWUWNCPXSHN-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1OCC ZINC000414770561 433824417 /nfs/dbraw/zinc/82/44/17/433824417.db2.gz PALYWUWNCPXSHN-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000449765015 433780153 /nfs/dbraw/zinc/78/01/53/433780153.db2.gz FTSIKWGYGNBMBO-ULQDDVLXSA-N 2 2 324.509 3.208 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301900231 433782109 /nfs/dbraw/zinc/78/21/09/433782109.db2.gz YWUVCTYVAPSTIV-AWEZNQCLSA-N 2 2 313.449 3.279 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301900231 433782122 /nfs/dbraw/zinc/78/21/22/433782122.db2.gz YWUVCTYVAPSTIV-AWEZNQCLSA-N 2 2 313.449 3.279 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](CC(F)F)CC1 ZINC000301911139 433793061 /nfs/dbraw/zinc/79/30/61/433793061.db2.gz GKRPGOFHHYNNEN-UHFFFAOYSA-N 2 2 309.335 3.151 20 0 DGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](CC(F)F)CC1 ZINC000301911139 433793066 /nfs/dbraw/zinc/79/30/66/433793066.db2.gz GKRPGOFHHYNNEN-UHFFFAOYSA-N 2 2 309.335 3.151 20 0 DGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000414693436 433794814 /nfs/dbraw/zinc/79/48/14/433794814.db2.gz RKMHQOXQRLRMMK-UHFFFAOYSA-N 2 2 304.478 3.098 20 0 DGADLP Cc1ccc2[nH+]c(CNc3ccc(CC[NH+](C)C)cc3)cn2c1 ZINC000283909405 433797996 /nfs/dbraw/zinc/79/79/96/433797996.db2.gz KLWYVZXCEAWPCF-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP CCC[N@H+](C)CC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000356985158 433803353 /nfs/dbraw/zinc/80/33/53/433803353.db2.gz PMRKDZQGSVVZDT-OAHLLOKOSA-N 2 2 318.465 3.049 20 0 DGADLP CCC[N@@H+](C)CC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000356985158 433803358 /nfs/dbraw/zinc/80/33/58/433803358.db2.gz PMRKDZQGSVVZDT-OAHLLOKOSA-N 2 2 318.465 3.049 20 0 DGADLP C[N@H+](Cc1cncc(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449789199 433804849 /nfs/dbraw/zinc/80/48/49/433804849.db2.gz ZEQGKKKEVPCVIH-UHFFFAOYSA-N 2 2 319.346 3.069 20 0 DGADLP C[N@@H+](Cc1cncc(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449789199 433804857 /nfs/dbraw/zinc/80/48/57/433804857.db2.gz ZEQGKKKEVPCVIH-UHFFFAOYSA-N 2 2 319.346 3.069 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000414766935 433818902 /nfs/dbraw/zinc/81/89/02/433818902.db2.gz IVGCHQYTTVFCNX-GOEBONIOSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000414766935 433818912 /nfs/dbraw/zinc/81/89/12/433818912.db2.gz IVGCHQYTTVFCNX-GOEBONIOSA-N 2 2 306.450 3.042 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000414764134 433819680 /nfs/dbraw/zinc/81/96/80/433819680.db2.gz OAHDZIBFYWGOKC-HNAYVOBHSA-N 2 2 310.441 3.450 20 0 DGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000414764134 433819692 /nfs/dbraw/zinc/81/96/92/433819692.db2.gz OAHDZIBFYWGOKC-HNAYVOBHSA-N 2 2 310.441 3.450 20 0 DGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000284021052 433820537 /nfs/dbraw/zinc/82/05/37/433820537.db2.gz OPXMOMYVHKNWRW-VOTSOKGWSA-N 2 2 324.428 3.423 20 0 DGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2C1 ZINC000284021052 433820546 /nfs/dbraw/zinc/82/05/46/433820546.db2.gz OPXMOMYVHKNWRW-VOTSOKGWSA-N 2 2 324.428 3.423 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000351964358 433822474 /nfs/dbraw/zinc/82/24/74/433822474.db2.gz LQYMENDFWWWVEL-OAHLLOKOSA-N 2 2 307.397 3.299 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000344621167 433874730 /nfs/dbraw/zinc/87/47/30/433874730.db2.gz YBUCVKBDFLVLMG-ISARSNTHSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000344621167 433874739 /nfs/dbraw/zinc/87/47/39/433874739.db2.gz YBUCVKBDFLVLMG-ISARSNTHSA-N 2 2 304.478 3.209 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000414841331 433876461 /nfs/dbraw/zinc/87/64/61/433876461.db2.gz HVJNYXJNVARBIG-SFHVURJKSA-N 2 2 302.393 3.444 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000414772953 433827044 /nfs/dbraw/zinc/82/70/44/433827044.db2.gz VYDWIQSTJFFOFA-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000414772953 433827050 /nfs/dbraw/zinc/82/70/50/433827050.db2.gz VYDWIQSTJFFOFA-GXTWGEPZSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827910 433833646 /nfs/dbraw/zinc/83/36/46/433833646.db2.gz FGHBSGWPSGTYNZ-LPEHRKFASA-N 2 2 307.385 3.295 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827910 433833658 /nfs/dbraw/zinc/83/36/58/433833658.db2.gz FGHBSGWPSGTYNZ-LPEHRKFASA-N 2 2 307.385 3.295 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cc2[nH+]1 ZINC000362736674 433839464 /nfs/dbraw/zinc/83/94/64/433839464.db2.gz NBUHGYCVGXDYJH-TZMCWYRMSA-N 2 2 314.433 3.042 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cc2[nH+]1 ZINC000362736674 433839474 /nfs/dbraw/zinc/83/94/74/433839474.db2.gz NBUHGYCVGXDYJH-TZMCWYRMSA-N 2 2 314.433 3.042 20 0 DGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797700 433842521 /nfs/dbraw/zinc/84/25/21/433842521.db2.gz BKLDBFJFPMKSDN-KRWDZBQOSA-N 2 2 323.525 3.070 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344035143 433843708 /nfs/dbraw/zinc/84/37/08/433843708.db2.gz QBUBUEFTCGSJHJ-KHYOSLBOSA-N 2 2 320.452 3.292 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)C[C@H](C)O1 ZINC000344035143 433843719 /nfs/dbraw/zinc/84/37/19/433843719.db2.gz QBUBUEFTCGSJHJ-KHYOSLBOSA-N 2 2 320.452 3.292 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163851 433849796 /nfs/dbraw/zinc/84/97/96/433849796.db2.gz QJACMFCNEZJHJL-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163851 433849802 /nfs/dbraw/zinc/84/98/02/433849802.db2.gz QJACMFCNEZJHJL-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163851 433849810 /nfs/dbraw/zinc/84/98/10/433849810.db2.gz QJACMFCNEZJHJL-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163851 433849816 /nfs/dbraw/zinc/84/98/16/433849816.db2.gz QJACMFCNEZJHJL-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163856 433851631 /nfs/dbraw/zinc/85/16/31/433851631.db2.gz QJACMFCNEZJHJL-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163856 433851636 /nfs/dbraw/zinc/85/16/36/433851636.db2.gz QJACMFCNEZJHJL-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163856 433851648 /nfs/dbraw/zinc/85/16/48/433851648.db2.gz QJACMFCNEZJHJL-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCCC4(CC4)C3)C2)cc1 ZINC000284163856 433851656 /nfs/dbraw/zinc/85/16/56/433851656.db2.gz QJACMFCNEZJHJL-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414809814 433852483 /nfs/dbraw/zinc/85/24/83/433852483.db2.gz HAPKVFCDZWKCHW-SFHVURJKSA-N 2 2 323.912 3.412 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414813493 433854927 /nfs/dbraw/zinc/85/49/27/433854927.db2.gz MNQMOKQHBIRQFL-QGZVFWFLSA-N 2 2 323.912 3.412 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000414818224 433860540 /nfs/dbraw/zinc/86/05/40/433860540.db2.gz VBQNCVJUCLTFSP-MRXNPFEDSA-N 2 2 320.868 3.441 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414818055 433860753 /nfs/dbraw/zinc/86/07/53/433860753.db2.gz UOAAQPLIAYZRSO-HNNXBMFYSA-N 2 2 306.841 3.133 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414820684 433860894 /nfs/dbraw/zinc/86/08/94/433860894.db2.gz COZCSTPNSUQRCS-UHFFFAOYSA-N 2 2 302.393 3.104 20 0 DGADLP Clc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414831180 433865848 /nfs/dbraw/zinc/86/58/48/433865848.db2.gz PPXLVHVRQRYNHS-SNVBAGLBSA-N 2 2 317.658 3.192 20 0 DGADLP C[NH2+]CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414829725 433866359 /nfs/dbraw/zinc/86/63/59/433866359.db2.gz NBKKWQOVPOGXJW-UHFFFAOYSA-N 2 2 300.246 3.033 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000414833189 433868365 /nfs/dbraw/zinc/86/83/65/433868365.db2.gz PJMHSVADBUEZGF-MRXNPFEDSA-N 2 2 324.346 3.417 20 0 DGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000414835843 433872769 /nfs/dbraw/zinc/87/27/69/433872769.db2.gz RXFMKIQAHGYVSW-INIZCTEOSA-N 2 2 306.356 3.120 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3c4ccc(F)cc4O[C@@H]3C)n2c1 ZINC000377394707 293654107 /nfs/dbraw/zinc/65/41/07/293654107.db2.gz ABFSNQIWNDFMRL-XIKOKIGWSA-N 2 2 311.360 3.394 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(F)c2)cc1 ZINC000414876382 433897317 /nfs/dbraw/zinc/89/73/17/433897317.db2.gz DHPGQDDEZODVMV-OALUTQOASA-N 2 2 314.404 3.070 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2C)cc1 ZINC000414883159 433898435 /nfs/dbraw/zinc/89/84/35/433898435.db2.gz MVZZNQILVPKNBW-UXHICEINSA-N 2 2 310.441 3.239 20 0 DGADLP COCC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414885752 433900261 /nfs/dbraw/zinc/90/02/61/433900261.db2.gz OZVOIALHKXJBDJ-UHFFFAOYSA-N 2 2 324.877 3.394 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000293862602 433903383 /nfs/dbraw/zinc/90/33/83/433903383.db2.gz DLGHOYQMMBYGSR-MAUKXSAKSA-N 2 2 310.445 3.143 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C/C=C\c2ccccc2)cc1 ZINC000414888364 433905018 /nfs/dbraw/zinc/90/50/18/433905018.db2.gz RHMAPOHVTOCQPI-IIALZSMBSA-N 2 2 322.452 3.444 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293896374 433912798 /nfs/dbraw/zinc/91/27/98/433912798.db2.gz ZJVRSVRDQXQLNU-CABCVRRESA-N 3 2 300.450 3.029 20 0 DGADLP Cc1ccc(-c2ncc(C[NH+]3CCC4(CC[NH2+]4)CC3)s2)o1 ZINC000422561319 433919977 /nfs/dbraw/zinc/91/99/77/433919977.db2.gz KPRGDCANGMAWSZ-UHFFFAOYSA-N 2 2 303.431 3.039 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000357229608 433920190 /nfs/dbraw/zinc/92/01/90/433920190.db2.gz IBXNGQQDQAKTAR-YTQUADARSA-N 2 2 309.457 3.478 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000357229608 433920196 /nfs/dbraw/zinc/92/01/96/433920196.db2.gz IBXNGQQDQAKTAR-YTQUADARSA-N 2 2 309.457 3.478 20 0 DGADLP Clc1ccc2cccnc2c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422563321 433924047 /nfs/dbraw/zinc/92/40/47/433924047.db2.gz SMXMJESVZVAKIB-UHFFFAOYSA-N 2 2 301.821 3.216 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414936145 433924667 /nfs/dbraw/zinc/92/46/67/433924667.db2.gz ZAEOKWBEIGAPOI-ZIAGYGMSSA-N 2 2 317.458 3.082 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000414937796 433926491 /nfs/dbraw/zinc/92/64/91/433926491.db2.gz CKICXFABPNZKQB-GFCCVEGCSA-N 2 2 320.868 3.230 20 0 DGADLP Cc1ccnc(C2CC[NH+](CCCc3c[nH+]ccc3C)CC2)n1 ZINC000377617497 433928669 /nfs/dbraw/zinc/92/86/69/433928669.db2.gz RWMVZQJVUZFMKN-UHFFFAOYSA-N 2 2 310.445 3.301 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000414950331 433929653 /nfs/dbraw/zinc/92/96/53/433929653.db2.gz OKXKQMRHNITMDM-BXKDBHETSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436293426 433929743 /nfs/dbraw/zinc/92/97/43/433929743.db2.gz MTPQLSBNSKBSRA-DOTOQJQBSA-N 2 2 324.509 3.493 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436293426 433929759 /nfs/dbraw/zinc/92/97/59/433929759.db2.gz MTPQLSBNSKBSRA-DOTOQJQBSA-N 2 2 324.509 3.493 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436292336 433930022 /nfs/dbraw/zinc/93/00/22/433930022.db2.gz MZDINTRGMKNPBE-BFUOFWGJSA-N 2 2 324.428 3.159 20 0 DGADLP C[N@H+](Cc1cnc(C(C)(C)C)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377625866 433931048 /nfs/dbraw/zinc/93/10/48/433931048.db2.gz JQEXBRLICUALNE-PBWFPOADSA-N 2 2 307.507 3.498 20 0 DGADLP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377625866 433931055 /nfs/dbraw/zinc/93/10/55/433931055.db2.gz JQEXBRLICUALNE-PBWFPOADSA-N 2 2 307.507 3.498 20 0 DGADLP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC(C)CC1)c1ccsc1 ZINC000303268263 433930975 /nfs/dbraw/zinc/93/09/75/433930975.db2.gz YQUDCMFTASXPKK-MRXNPFEDSA-N 2 2 322.522 3.387 20 0 DGADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377625866 433931066 /nfs/dbraw/zinc/93/10/66/433931066.db2.gz JQEXBRLICUALNE-PBWFPOADSA-N 2 2 307.507 3.498 20 0 DGADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377625866 433931074 /nfs/dbraw/zinc/93/10/74/433931074.db2.gz JQEXBRLICUALNE-PBWFPOADSA-N 2 2 307.507 3.498 20 0 DGADLP C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303363081 433933694 /nfs/dbraw/zinc/93/36/94/433933694.db2.gz DRHABAUKJKDMDW-DNVCBOLYSA-N 2 2 307.397 3.257 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955455 433933910 /nfs/dbraw/zinc/93/39/10/433933910.db2.gz UHTCHDHVTCNJCY-MAUKXSAKSA-N 2 2 320.358 3.339 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422696984 433934085 /nfs/dbraw/zinc/93/40/85/433934085.db2.gz SUCPHCCNEQDZMW-OAHLLOKOSA-N 3 2 312.461 3.187 20 0 DGADLP CSc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844357 433878833 /nfs/dbraw/zinc/87/88/33/433878833.db2.gz KSRVICCUEMQLSB-GFCCVEGCSA-N 2 2 315.280 3.013 20 0 DGADLP FC(F)Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414854295 433881556 /nfs/dbraw/zinc/88/15/56/433881556.db2.gz ZETDYDNJDYTHCJ-ZDUSSCGKSA-N 2 2 306.356 3.283 20 0 DGADLP Fc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414850020 433882790 /nfs/dbraw/zinc/88/27/90/433882790.db2.gz RWXYLEAPKKHCFW-KRWDZBQOSA-N 2 2 314.404 3.246 20 0 DGADLP Cc1c(Cl)cccc1N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000284358420 433891266 /nfs/dbraw/zinc/89/12/66/433891266.db2.gz DFHCANLZEZGIDB-UHFFFAOYSA-N 2 2 318.852 3.057 20 0 DGADLP Cc1c(Cl)cccc1N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000284358420 433891274 /nfs/dbraw/zinc/89/12/74/433891274.db2.gz DFHCANLZEZGIDB-UHFFFAOYSA-N 2 2 318.852 3.057 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293970602 433943584 /nfs/dbraw/zinc/94/35/84/433943584.db2.gz QOCJXLSNCOWQNK-UHFFFAOYSA-N 2 2 324.468 3.349 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422713473 433944413 /nfs/dbraw/zinc/94/44/13/433944413.db2.gz JTNQHXDNGQYWLA-DZKIICNBSA-N 2 2 308.491 3.216 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162135 433948189 /nfs/dbraw/zinc/94/81/89/433948189.db2.gz DULBOJIMXVPUKH-RBUKOAKNSA-N 3 2 303.494 3.143 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340162135 433948200 /nfs/dbraw/zinc/94/82/00/433948200.db2.gz DULBOJIMXVPUKH-RBUKOAKNSA-N 3 2 303.494 3.143 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1c[nH+]ccc1N ZINC000422726937 433950266 /nfs/dbraw/zinc/95/02/66/433950266.db2.gz AWVXVDXDGUHCMN-CJNGLKHVSA-N 2 2 316.474 3.043 20 0 DGADLP C[C@@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422726937 433950273 /nfs/dbraw/zinc/95/02/73/433950273.db2.gz AWVXVDXDGUHCMN-CJNGLKHVSA-N 2 2 316.474 3.043 20 0 DGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000352170250 433955097 /nfs/dbraw/zinc/95/50/97/433955097.db2.gz KVGGENDYHAULPC-MRXNPFEDSA-N 2 2 314.433 3.192 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414982649 433958261 /nfs/dbraw/zinc/95/82/61/433958261.db2.gz YQKRVOIHAOAZOI-CYBMUJFWSA-N 2 2 307.488 3.349 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000340173862 433958839 /nfs/dbraw/zinc/95/88/39/433958839.db2.gz PKUVVENHXAFSBC-QZTJIDSGSA-N 2 2 311.429 3.015 20 0 DGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccn1 ZINC000340173862 433958847 /nfs/dbraw/zinc/95/88/47/433958847.db2.gz PKUVVENHXAFSBC-QZTJIDSGSA-N 2 2 311.429 3.015 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340173352 433959063 /nfs/dbraw/zinc/95/90/63/433959063.db2.gz GISRZIBWINQSLY-OALUTQOASA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340173352 433959070 /nfs/dbraw/zinc/95/90/70/433959070.db2.gz GISRZIBWINQSLY-OALUTQOASA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340173352 433959076 /nfs/dbraw/zinc/95/90/76/433959076.db2.gz GISRZIBWINQSLY-OALUTQOASA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340173352 433959081 /nfs/dbraw/zinc/95/90/81/433959081.db2.gz GISRZIBWINQSLY-OALUTQOASA-N 3 2 303.494 3.142 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422739492 433959882 /nfs/dbraw/zinc/95/98/82/433959882.db2.gz LMDWTHZYMQZJNW-MISYRCLQSA-N 3 2 315.505 3.190 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422739492 433959890 /nfs/dbraw/zinc/95/98/90/433959890.db2.gz LMDWTHZYMQZJNW-MISYRCLQSA-N 3 2 315.505 3.190 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000294002707 433960713 /nfs/dbraw/zinc/96/07/13/433960713.db2.gz CSJLSMCWUWIXFE-MAUKXSAKSA-N 2 2 317.477 3.223 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000422744845 433965612 /nfs/dbraw/zinc/96/56/12/433965612.db2.gz KXZLZNOXBKYNMB-CKEIUWERSA-N 2 2 310.869 3.394 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340180927 433966522 /nfs/dbraw/zinc/96/65/22/433966522.db2.gz HTNZNZFXSZQYHB-QUCCMNQESA-N 3 2 313.489 3.038 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340180927 433966529 /nfs/dbraw/zinc/96/65/29/433966529.db2.gz HTNZNZFXSZQYHB-QUCCMNQESA-N 3 2 313.489 3.038 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422748419 433973528 /nfs/dbraw/zinc/97/35/28/433973528.db2.gz UKYVEKQSPRZNQR-HSALFYBXSA-N 3 2 324.472 3.273 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000436471025 433974113 /nfs/dbraw/zinc/97/41/13/433974113.db2.gz PEAMQKPGCUGSQP-BTRQGYIVSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000436471025 433974119 /nfs/dbraw/zinc/97/41/19/433974119.db2.gz PEAMQKPGCUGSQP-BTRQGYIVSA-N 2 2 316.489 3.036 20 0 DGADLP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415042485 433975242 /nfs/dbraw/zinc/97/52/42/433975242.db2.gz QXPZPOSPADXPLP-WMLDXEAASA-N 3 2 321.896 3.021 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OCC ZINC000422758191 433978113 /nfs/dbraw/zinc/97/81/13/433978113.db2.gz NQDABKHAYMPLBZ-OFQRWUPVSA-N 2 2 306.450 3.275 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422759671 433980347 /nfs/dbraw/zinc/98/03/47/433980347.db2.gz FYDYTDNBFBKMFA-MISYRCLQSA-N 3 2 315.505 3.334 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422759671 433980360 /nfs/dbraw/zinc/98/03/60/433980360.db2.gz FYDYTDNBFBKMFA-MISYRCLQSA-N 3 2 315.505 3.334 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCC1)c1ccccc1 ZINC000422772359 433986588 /nfs/dbraw/zinc/98/65/88/433986588.db2.gz XAZHNXIXTKJMIJ-YESZJQIVSA-N 3 2 303.494 3.365 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000422775291 433988458 /nfs/dbraw/zinc/98/84/58/433988458.db2.gz AYQOQMJMQRPUPE-LZQZEXGQSA-N 2 2 302.462 3.275 20 0 DGADLP Oc1ccc(F)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1F ZINC000352229013 433992207 /nfs/dbraw/zinc/99/22/07/433992207.db2.gz BZGIJEHMKVNHCD-UHFFFAOYSA-N 2 2 315.323 3.146 20 0 DGADLP Cc1nc(-c2ccc(CC[NH2+][C@H]3C[NH2+]CC[C@@H]3C)s2)cs1 ZINC000422794050 434003082 /nfs/dbraw/zinc/00/30/82/434003082.db2.gz GDTMIKDVCIHGFY-FZMZJTMJSA-N 2 2 321.515 3.310 20 0 DGADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422793928 434006214 /nfs/dbraw/zinc/00/62/14/434006214.db2.gz XSAZXBKBVHUHRH-ZIAGYGMSSA-N 3 2 309.885 3.020 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3ccccc3[nH]c1=O)CCC2 ZINC000377831047 434009105 /nfs/dbraw/zinc/00/91/05/434009105.db2.gz JGSHJUZNCARLEZ-OAHLLOKOSA-N 2 2 322.412 3.113 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc3occc3c2)C[C@H](C)O1 ZINC000352256584 434012203 /nfs/dbraw/zinc/01/22/03/434012203.db2.gz KCHSUENJZOWDCD-GJZGRUSLSA-N 2 2 302.418 3.022 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422803595 434015417 /nfs/dbraw/zinc/01/54/17/434015417.db2.gz JGXPAMQZJOUKHA-SWLSCSKDSA-N 2 2 316.367 3.248 20 0 DGADLP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])ccn2)c1C ZINC000422800708 434017348 /nfs/dbraw/zinc/01/73/48/434017348.db2.gz ADFHFARULRYJDY-DLBZAZTESA-N 2 2 311.429 3.460 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1c1ccccc1 ZINC000340253068 434017436 /nfs/dbraw/zinc/01/74/36/434017436.db2.gz MICLEAIXOWBLLR-GBESFXJTSA-N 3 2 324.472 3.186 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1c1ccccc1 ZINC000340253068 434017446 /nfs/dbraw/zinc/01/74/46/434017446.db2.gz MICLEAIXOWBLLR-GBESFXJTSA-N 3 2 324.472 3.186 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422800366 434017912 /nfs/dbraw/zinc/01/79/12/434017912.db2.gz ZXLOVDQNDWAQBP-FZMZJTMJSA-N 2 2 302.340 3.205 20 0 DGADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422809014 434018888 /nfs/dbraw/zinc/01/88/88/434018888.db2.gz RCNZXRPLUUOOFX-FXAWDEMLSA-N 3 2 315.505 3.006 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340272039 434027644 /nfs/dbraw/zinc/02/76/44/434027644.db2.gz HDSSTCYMKCEAHB-PMACEKPBSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340272039 434027651 /nfs/dbraw/zinc/02/76/51/434027651.db2.gz HDSSTCYMKCEAHB-PMACEKPBSA-N 3 2 315.505 3.284 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000377890692 434028747 /nfs/dbraw/zinc/02/87/47/434028747.db2.gz XUTUWJDUHWVSPI-AWEZNQCLSA-N 2 2 321.371 3.054 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000377890692 434028754 /nfs/dbraw/zinc/02/87/54/434028754.db2.gz XUTUWJDUHWVSPI-AWEZNQCLSA-N 2 2 321.371 3.054 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(OC2CCCC2)c1 ZINC000422825525 434031179 /nfs/dbraw/zinc/03/11/79/434031179.db2.gz PWVUUPTUNGHXRL-KSSFIOAISA-N 2 2 318.461 3.104 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422844748 434047017 /nfs/dbraw/zinc/04/70/17/434047017.db2.gz MXTXEBTUCJLEGT-IAGOWNOFSA-N 2 2 312.413 3.328 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000422836623 434041906 /nfs/dbraw/zinc/04/19/06/434041906.db2.gz KOFXDMZOWLYCDJ-LFGUQSLTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000422836623 434041915 /nfs/dbraw/zinc/04/19/15/434041915.db2.gz KOFXDMZOWLYCDJ-LFGUQSLTSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422843609 434044655 /nfs/dbraw/zinc/04/46/55/434044655.db2.gz IYIUADAHMCAEIM-CRAIPNDOSA-N 2 2 311.429 3.494 20 0 DGADLP C[N@@H+]1CC[C@@H](NCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340222435 433993505 /nfs/dbraw/zinc/99/35/05/433993505.db2.gz VWBPOMCALWFFSC-IEBWSBKVSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@@H](NCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340222435 433993517 /nfs/dbraw/zinc/99/35/17/433993517.db2.gz VWBPOMCALWFFSC-IEBWSBKVSA-N 2 2 324.472 3.145 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422781483 433994925 /nfs/dbraw/zinc/99/49/25/433994925.db2.gz KTEAAUIGYQPXJJ-UXHICEINSA-N 3 2 315.505 3.191 20 0 DGADLP C[N@@H+]1CC[C@@H](NCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340222436 433997250 /nfs/dbraw/zinc/99/72/50/433997250.db2.gz VWBPOMCALWFFSC-MJGOQNOKSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@@H](NCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340222436 433997261 /nfs/dbraw/zinc/99/72/61/433997261.db2.gz VWBPOMCALWFFSC-MJGOQNOKSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363217981 433998166 /nfs/dbraw/zinc/99/81/66/433998166.db2.gz DINYWKJKMRIKNF-HOTGVXAUSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363217981 433998175 /nfs/dbraw/zinc/99/81/75/433998175.db2.gz DINYWKJKMRIKNF-HOTGVXAUSA-N 2 2 321.896 3.113 20 0 DGADLP Cc1nc(-c2ccc(CC[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)s2)cs1 ZINC000422794054 434002714 /nfs/dbraw/zinc/00/27/14/434002714.db2.gz GDTMIKDVCIHGFY-SMDDNHRTSA-N 2 2 321.515 3.310 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000414790352 293890816 /nfs/dbraw/zinc/89/08/16/293890816.db2.gz ABELUCGBLKBOKS-CQSZACIVSA-N 2 2 313.426 3.383 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000414955039 293893174 /nfs/dbraw/zinc/89/31/74/293893174.db2.gz TXWYVYIZBBQMJZ-CABZTGNLSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414964171 293897024 /nfs/dbraw/zinc/89/70/24/293897024.db2.gz YHGXKOIBGOLULS-JOYOIKCWSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccc(F)cc1 ZINC000353125419 434065765 /nfs/dbraw/zinc/06/57/65/434065765.db2.gz LAQBLZBUNLSJDP-AWEZNQCLSA-N 2 2 310.376 3.681 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422867206 434066097 /nfs/dbraw/zinc/06/60/97/434066097.db2.gz RVIIIIWRRSWPPY-FUHIMQAGSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2)C1 ZINC000422867206 434066103 /nfs/dbraw/zinc/06/61/03/434066103.db2.gz RVIIIIWRRSWPPY-FUHIMQAGSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000422872418 434073982 /nfs/dbraw/zinc/07/39/82/434073982.db2.gz HBHIXALWVJJBPE-IDHHARJASA-N 2 2 320.452 3.414 20 0 DGADLP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422884621 434080223 /nfs/dbraw/zinc/08/02/23/434080223.db2.gz SGLQHYAOSRXNMN-RHSMWYFYSA-N 2 2 303.450 3.045 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000340366649 434087086 /nfs/dbraw/zinc/08/70/86/434087086.db2.gz QRUBQWZWNIISME-KANFNMMFSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000340366649 434087095 /nfs/dbraw/zinc/08/70/95/434087095.db2.gz QRUBQWZWNIISME-KANFNMMFSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000340366651 434088985 /nfs/dbraw/zinc/08/89/85/434088985.db2.gz QRUBQWZWNIISME-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000340366651 434088992 /nfs/dbraw/zinc/08/89/92/434088992.db2.gz QRUBQWZWNIISME-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CSCc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000294336277 434090841 /nfs/dbraw/zinc/09/08/41/434090841.db2.gz RWRCSJJYFNYSQB-OCCSQVGLSA-N 2 2 322.503 3.286 20 0 DGADLP CSCc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000294336277 434090848 /nfs/dbraw/zinc/09/08/48/434090848.db2.gz RWRCSJJYFNYSQB-OCCSQVGLSA-N 2 2 322.503 3.286 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000422900226 434095959 /nfs/dbraw/zinc/09/59/59/434095959.db2.gz JCBRZSCYUFPPKP-SUMWQHHRSA-N 2 2 315.392 3.243 20 0 DGADLP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305119144 434047697 /nfs/dbraw/zinc/04/76/97/434047697.db2.gz JBSKUJUIHMREPN-GOSISDBHSA-N 2 2 324.896 3.301 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422844747 434048402 /nfs/dbraw/zinc/04/84/02/434048402.db2.gz MXTXEBTUCJLEGT-DLBZAZTESA-N 2 2 312.413 3.328 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340310056 434051805 /nfs/dbraw/zinc/05/18/05/434051805.db2.gz JCICQIZVRGNICV-HKUYNNGSSA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340310056 434051806 /nfs/dbraw/zinc/05/18/06/434051806.db2.gz JCICQIZVRGNICV-HKUYNNGSSA-N 2 2 324.472 3.073 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCOc3ccccc32)s1 ZINC000352808545 434053174 /nfs/dbraw/zinc/05/31/74/434053174.db2.gz AEJOCMJLQLOLSY-OAHLLOKOSA-N 2 2 317.458 3.208 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352808428 434053482 /nfs/dbraw/zinc/05/34/82/434053482.db2.gz CLPUTTQLYAPGIR-UHMOLFJZSA-N 2 2 314.473 3.430 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352808428 434053487 /nfs/dbraw/zinc/05/34/87/434053487.db2.gz CLPUTTQLYAPGIR-UHMOLFJZSA-N 2 2 314.473 3.430 20 0 DGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422854912 434058127 /nfs/dbraw/zinc/05/81/27/434058127.db2.gz URUZOJWEGPIMJH-KBPBESRZSA-N 2 2 303.475 3.144 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000422862034 434060722 /nfs/dbraw/zinc/06/07/22/434060722.db2.gz NETSWBJDYPLUKP-CXAGYDPISA-N 2 2 315.392 3.243 20 0 DGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000378211165 434112230 /nfs/dbraw/zinc/11/22/30/434112230.db2.gz OOTOCFDKNOUUAT-BONVTDFDSA-N 2 2 300.406 3.005 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921262 434113892 /nfs/dbraw/zinc/11/38/92/434113892.db2.gz PKFRZPDORKOBCN-CHWSQXEVSA-N 2 2 302.340 3.177 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932359 434118016 /nfs/dbraw/zinc/11/80/16/434118016.db2.gz FNXYGSOLEDGWGV-VQIMIIECSA-N 2 2 310.441 3.320 20 0 DGADLP COC(=O)c1csc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000285966969 434120074 /nfs/dbraw/zinc/12/00/74/434120074.db2.gz GWPSWHGXWLZSGX-LBPRGKRZSA-N 2 2 322.474 3.202 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000422937954 434123085 /nfs/dbraw/zinc/12/30/85/434123085.db2.gz KEDBONMYLDTDIB-OXJNMPFZSA-N 2 2 310.441 3.496 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000422908081 434101598 /nfs/dbraw/zinc/10/15/98/434101598.db2.gz XZHXKQDPPGOJFH-IRXDYDNUSA-N 3 2 316.424 3.069 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000498368871 294058580 /nfs/dbraw/zinc/05/85/80/294058580.db2.gz FLPPIUCWGQCQMF-MLGOLLRUSA-N 2 2 310.844 3.441 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000498368871 294058583 /nfs/dbraw/zinc/05/85/83/294058583.db2.gz FLPPIUCWGQCQMF-MLGOLLRUSA-N 2 2 310.844 3.441 20 0 DGADLP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000414224682 294089082 /nfs/dbraw/zinc/08/90/82/294089082.db2.gz AVDCWDUSGUTYCE-DOMZBBRYSA-N 2 2 322.415 3.196 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)cc1F ZINC000500502733 294115531 /nfs/dbraw/zinc/11/55/31/294115531.db2.gz XYSQWDQVSRHFKP-TUUVXOQKSA-N 2 2 318.436 3.295 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)cc1F ZINC000500502733 294115534 /nfs/dbraw/zinc/11/55/34/294115534.db2.gz XYSQWDQVSRHFKP-TUUVXOQKSA-N 2 2 318.436 3.295 20 0 DGADLP CCn1c[nH+]cc1CNc1[nH+]ccn1Cc1ccccc1Cl ZINC000416428776 434126266 /nfs/dbraw/zinc/12/62/66/434126266.db2.gz SFBXEEJIGXLFDD-UHFFFAOYSA-N 2 2 315.808 3.413 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2conc2Cc2ccccc2)CC1 ZINC000507094123 294281494 /nfs/dbraw/zinc/28/14/94/294281494.db2.gz RAQUTCLUMFFKIF-UHFFFAOYSA-N 2 2 313.445 3.182 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2conc2Cc2ccccc2)CC1 ZINC000507094123 294281497 /nfs/dbraw/zinc/28/14/97/294281497.db2.gz RAQUTCLUMFFKIF-UHFFFAOYSA-N 2 2 313.445 3.182 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437263 434131519 /nfs/dbraw/zinc/13/15/19/434131519.db2.gz DSUCBAZARKPMHN-MOPGFXCFSA-N 2 2 304.478 3.393 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(C)c1 ZINC000353437263 434131525 /nfs/dbraw/zinc/13/15/25/434131525.db2.gz DSUCBAZARKPMHN-MOPGFXCFSA-N 2 2 304.478 3.393 20 0 DGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000357691187 434133444 /nfs/dbraw/zinc/13/34/44/434133444.db2.gz IPEJIAWPMZVSMD-HZPDHXFCSA-N 2 2 320.481 3.123 20 0 DGADLP COC(=O)CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422955404 434139768 /nfs/dbraw/zinc/13/97/68/434139768.db2.gz JENHJSYKOFNNHN-GBESFXJTSA-N 2 2 324.424 3.415 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000422968521 434142251 /nfs/dbraw/zinc/14/22/51/434142251.db2.gz RLSDTZXXCAELMO-SJLPKXTDSA-N 3 2 312.461 3.273 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000353453146 434142408 /nfs/dbraw/zinc/14/24/08/434142408.db2.gz DGKZAGDPCMQBAU-KRWDZBQOSA-N 2 2 304.482 3.495 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000422968522 434143963 /nfs/dbraw/zinc/14/39/63/434143963.db2.gz RLSDTZXXCAELMO-WMZOPIPTSA-N 3 2 312.461 3.273 20 0 DGADLP c1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)CC[NH2+]2)cc1 ZINC000422970034 434144660 /nfs/dbraw/zinc/14/46/60/434144660.db2.gz FATXSXSMXDCOEP-AZUAARDMSA-N 3 2 313.489 3.086 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422966421 434145657 /nfs/dbraw/zinc/14/56/57/434145657.db2.gz RKNGDVQBVWVRFG-SJORKVTESA-N 2 2 303.450 3.023 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422976021 434147910 /nfs/dbraw/zinc/14/79/10/434147910.db2.gz UHWMVWPVSWRTIC-YOEHRIQHSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342292 434148172 /nfs/dbraw/zinc/14/81/72/434148172.db2.gz NYOCJNCSCYNKSA-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000378342292 434148182 /nfs/dbraw/zinc/14/81/82/434148182.db2.gz NYOCJNCSCYNKSA-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccn1 ZINC000422973801 434150705 /nfs/dbraw/zinc/15/07/05/434150705.db2.gz CUMUNURAXAWVHS-YQQAZPJKSA-N 2 2 305.466 3.125 20 0 DGADLP C(=C/c1ccccc1)\CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450409908 434158109 /nfs/dbraw/zinc/15/81/09/434158109.db2.gz UZETVTNTPDYAEE-ZTJJKMQJSA-N 2 2 314.473 3.134 20 0 DGADLP C(=C/c1ccccc1)\CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000450409908 434158119 /nfs/dbraw/zinc/15/81/19/434158119.db2.gz UZETVTNTPDYAEE-ZTJJKMQJSA-N 2 2 314.473 3.134 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000423003109 434164240 /nfs/dbraw/zinc/16/42/40/434164240.db2.gz GZEUETMTUGSENN-FHWLQOOXSA-N 3 2 324.472 3.152 20 0 DGADLP Cc1nc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000346168048 434164457 /nfs/dbraw/zinc/16/44/57/434164457.db2.gz HTKZXGMKXQAALB-UHFFFAOYSA-N 2 2 304.444 3.331 20 0 DGADLP Cc1nc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000346168048 434164467 /nfs/dbraw/zinc/16/44/67/434164467.db2.gz HTKZXGMKXQAALB-UHFFFAOYSA-N 2 2 304.444 3.331 20 0 DGADLP Cc1cc[nH+]c(N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000346229254 434220243 /nfs/dbraw/zinc/22/02/43/434220243.db2.gz LTOCIMYHPJAEIG-APWZRJJASA-N 2 2 311.429 3.264 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000450427811 434171859 /nfs/dbraw/zinc/17/18/59/434171859.db2.gz GKTLNEDDYPNSOM-OAHLLOKOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000450427811 434171870 /nfs/dbraw/zinc/17/18/70/434171870.db2.gz GKTLNEDDYPNSOM-OAHLLOKOSA-N 2 2 308.853 3.266 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353495145 434173184 /nfs/dbraw/zinc/17/31/84/434173184.db2.gz MYNGQRLMESRCFI-YOEHRIQHSA-N 2 2 318.440 3.348 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000353495145 434173199 /nfs/dbraw/zinc/17/31/99/434173199.db2.gz MYNGQRLMESRCFI-YOEHRIQHSA-N 2 2 318.440 3.348 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000357780200 434176930 /nfs/dbraw/zinc/17/69/30/434176930.db2.gz UYPQDPDOBLDTKS-SFHVURJKSA-N 2 2 313.445 3.088 20 0 DGADLP Cc1nc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000357780200 434176940 /nfs/dbraw/zinc/17/69/40/434176940.db2.gz UYPQDPDOBLDTKS-SFHVURJKSA-N 2 2 313.445 3.088 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@H+](C)Cc1ccccc1 ZINC000340515227 434177046 /nfs/dbraw/zinc/17/70/46/434177046.db2.gz OERGMPSUGVPIPD-OWYHZJEWSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000340515227 434177059 /nfs/dbraw/zinc/17/70/59/434177059.db2.gz OERGMPSUGVPIPD-OWYHZJEWSA-N 2 2 314.473 3.054 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423030902 434179036 /nfs/dbraw/zinc/17/90/36/434179036.db2.gz KEZRMZBVGTXRHM-WOJBJXKFSA-N 2 2 318.424 3.415 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423037799 434181133 /nfs/dbraw/zinc/18/11/33/434181133.db2.gz BZCVFHVZCKTTPJ-MNEFBYGVSA-N 2 2 302.462 3.275 20 0 DGADLP CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)[C@H]1CCCC[NH2+]1 ZINC000423037725 434182970 /nfs/dbraw/zinc/18/29/70/434182970.db2.gz WYNRRSRYCHLORX-RTBURBONSA-N 2 2 312.461 3.191 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000295073199 434184311 /nfs/dbraw/zinc/18/43/11/434184311.db2.gz PLBOCDRUHJSARV-CQSZACIVSA-N 2 2 324.896 3.444 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[NH+](C)C ZINC000363941587 434191404 /nfs/dbraw/zinc/19/14/04/434191404.db2.gz XMJKDYNMXYYLJQ-BRWVUGGUSA-N 2 2 306.498 3.012 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccoc1 ZINC000353518641 434192676 /nfs/dbraw/zinc/19/26/76/434192676.db2.gz LHVMLXSIODZQQB-MOPGFXCFSA-N 2 2 322.493 3.439 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000423091135 434212785 /nfs/dbraw/zinc/21/27/85/434212785.db2.gz WSUBQJMOETYDIW-DMDPSCGWSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2nccn21 ZINC000295177075 434242720 /nfs/dbraw/zinc/24/27/20/434242720.db2.gz GYKYJYWZKXYZPM-LPHOPBHVSA-N 2 2 324.472 3.186 20 0 DGADLP CCCc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000353576812 434244256 /nfs/dbraw/zinc/24/42/56/434244256.db2.gz AHALKIAJFLLLFA-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)CCC2 ZINC000364154523 434249726 /nfs/dbraw/zinc/24/97/26/434249726.db2.gz FNZYQJQOWRXBMB-IAGOWNOFSA-N 2 2 321.428 3.171 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)CCC2 ZINC000364154522 434250961 /nfs/dbraw/zinc/25/09/61/434250961.db2.gz FNZYQJQOWRXBMB-DLBZAZTESA-N 2 2 321.428 3.171 20 0 DGADLP C[C@@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000423153766 434254113 /nfs/dbraw/zinc/25/41/13/434254113.db2.gz GXQDCKBGBTZKOY-QMTHXVAHSA-N 2 2 303.233 3.102 20 0 DGADLP CCn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654260 434256536 /nfs/dbraw/zinc/25/65/36/434256536.db2.gz HWFYMPAGMPMTJB-SJLPKXTDSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654260 434256541 /nfs/dbraw/zinc/25/65/41/434256541.db2.gz HWFYMPAGMPMTJB-SJLPKXTDSA-N 2 2 312.461 3.046 20 0 DGADLP CC[NH+](CC)Cc1ccc(CNc2cc[nH+]c(C(C)C)n2)cc1 ZINC000346617593 434256925 /nfs/dbraw/zinc/25/69/25/434256925.db2.gz HNCTVPKFCPFWFB-UHFFFAOYSA-N 2 2 312.461 4.054 20 0 DGADLP Cc1cc(NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc[nH+]1 ZINC000346740656 434259761 /nfs/dbraw/zinc/25/97/61/434259761.db2.gz GZZDCESNEAPBNO-IYBDPMFKSA-N 2 2 324.472 3.875 20 0 DGADLP Cc1cc(NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nc[nH+]1 ZINC000346740656 434259772 /nfs/dbraw/zinc/25/97/72/434259772.db2.gz GZZDCESNEAPBNO-IYBDPMFKSA-N 2 2 324.472 3.875 20 0 DGADLP COC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(Cl)c1F ZINC000423183924 434270519 /nfs/dbraw/zinc/27/05/19/434270519.db2.gz SLFCVQNDRZNUBO-CQSZACIVSA-N 2 2 314.832 3.418 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423186905 434272149 /nfs/dbraw/zinc/27/21/49/434272149.db2.gz KNEHINXJTHHMFG-SWLSCSKDSA-N 2 2 318.852 3.237 20 0 DGADLP CSCc1cnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000295243667 434273096 /nfs/dbraw/zinc/27/30/96/434273096.db2.gz FEBQFRFMYGSYCJ-UHFFFAOYSA-N 2 2 308.476 3.109 20 0 DGADLP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423196653 434274892 /nfs/dbraw/zinc/27/48/92/434274892.db2.gz VUTSVUKTPGZSDO-MSOLQXFVSA-N 2 2 315.848 3.360 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2cccc(Br)c21 ZINC000423193379 434275428 /nfs/dbraw/zinc/27/54/28/434275428.db2.gz QMIBVTSLZTWEDH-UHIISALHSA-N 2 2 309.251 3.339 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCOc1ccc(F)cc1)Cc1ccco1 ZINC000353552265 434222735 /nfs/dbraw/zinc/22/27/35/434222735.db2.gz WUZAWBRJTOSTTI-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@H+](C)CCOc1ccc(F)cc1)Cc1ccco1 ZINC000353552265 434222743 /nfs/dbraw/zinc/22/27/43/434222743.db2.gz WUZAWBRJTOSTTI-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCOc1ccc(F)cc1 ZINC000353552265 434222749 /nfs/dbraw/zinc/22/27/49/434222749.db2.gz WUZAWBRJTOSTTI-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCOc1ccc(F)cc1 ZINC000353552265 434222757 /nfs/dbraw/zinc/22/27/57/434222757.db2.gz WUZAWBRJTOSTTI-UHFFFAOYSA-N 2 2 320.408 3.251 20 0 DGADLP COC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000319915050 434227169 /nfs/dbraw/zinc/22/71/69/434227169.db2.gz UCZRDNPNNNUCPM-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000319915050 434227177 /nfs/dbraw/zinc/22/71/77/434227177.db2.gz UCZRDNPNNNUCPM-SJLPKXTDSA-N 2 2 302.462 3.056 20 0 DGADLP COC(=O)c1csc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000286316833 434228894 /nfs/dbraw/zinc/22/88/94/434228894.db2.gz XLSKMGQCZXUALF-LBPRGKRZSA-N 2 2 319.430 3.083 20 0 DGADLP COCC1CCC([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000295145932 434229473 /nfs/dbraw/zinc/22/94/73/434229473.db2.gz JBQSLVMZDVYNKY-KVZIAJEVSA-N 2 2 304.478 3.393 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CCO2 ZINC000320114458 434233971 /nfs/dbraw/zinc/23/39/71/434233971.db2.gz XBFQKPNHWOUHSB-KRWDZBQOSA-N 2 2 318.461 3.371 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000353621204 434279219 /nfs/dbraw/zinc/27/92/19/434279219.db2.gz GJIRTTFPFCKYAA-UHFFFAOYSA-N 2 2 318.461 3.376 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)[C@@H](C)C1 ZINC000357996732 434280222 /nfs/dbraw/zinc/28/02/22/434280222.db2.gz SPMKSYUVDRPRIN-IYOUNJFTSA-N 2 2 315.461 3.026 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)[C@@H](C)C1 ZINC000357996732 434280224 /nfs/dbraw/zinc/28/02/24/434280224.db2.gz SPMKSYUVDRPRIN-IYOUNJFTSA-N 2 2 315.461 3.026 20 0 DGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000423197340 434281440 /nfs/dbraw/zinc/28/14/40/434281440.db2.gz ZAIBIZANZBBPBH-KGLIPLIRSA-N 2 2 309.251 3.086 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)c1 ZINC000358009160 434281697 /nfs/dbraw/zinc/28/16/97/434281697.db2.gz CIISAIAJSHZDEC-HDMKZQKVSA-N 2 2 317.477 3.101 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)c1 ZINC000358009160 434281707 /nfs/dbraw/zinc/28/17/07/434281707.db2.gz CIISAIAJSHZDEC-HDMKZQKVSA-N 2 2 317.477 3.101 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000382831676 434284046 /nfs/dbraw/zinc/28/40/46/434284046.db2.gz IZOLEEPYMJALQI-ZWKOTPCHSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000382831676 434284057 /nfs/dbraw/zinc/28/40/57/434284057.db2.gz IZOLEEPYMJALQI-ZWKOTPCHSA-N 3 2 307.526 3.105 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)cc1OC ZINC000358005532 434284418 /nfs/dbraw/zinc/28/44/18/434284418.db2.gz NPWMUULFZYHGLQ-YCPHGPKFSA-N 2 2 306.450 3.085 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)cc1OC ZINC000358005532 434284428 /nfs/dbraw/zinc/28/44/28/434284428.db2.gz NPWMUULFZYHGLQ-YCPHGPKFSA-N 2 2 306.450 3.085 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000295266434 434285528 /nfs/dbraw/zinc/28/55/28/434285528.db2.gz VIMUVZJIAFKKHT-QGZVFWFLSA-N 2 2 315.486 3.106 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000295266434 434285541 /nfs/dbraw/zinc/28/55/41/434285541.db2.gz VIMUVZJIAFKKHT-QGZVFWFLSA-N 2 2 315.486 3.106 20 0 DGADLP CC[C@H](COC)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358009968 434288180 /nfs/dbraw/zinc/28/81/80/434288180.db2.gz WZURPASXRITXDA-MOPGFXCFSA-N 2 2 304.478 3.084 20 0 DGADLP CC[C@H](COC)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358009968 434288190 /nfs/dbraw/zinc/28/81/90/434288190.db2.gz WZURPASXRITXDA-MOPGFXCFSA-N 2 2 304.478 3.084 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000358022663 434289914 /nfs/dbraw/zinc/28/99/14/434289914.db2.gz XASRWYGAOUUYHM-LYRGGWFBSA-N 2 2 306.837 3.236 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000358022663 434289922 /nfs/dbraw/zinc/28/99/22/434289922.db2.gz XASRWYGAOUUYHM-LYRGGWFBSA-N 2 2 306.837 3.236 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000358022668 434292174 /nfs/dbraw/zinc/29/21/74/434292174.db2.gz XASRWYGAOUUYHM-RLCCDNCMSA-N 2 2 306.837 3.236 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000358022668 434292181 /nfs/dbraw/zinc/29/21/81/434292181.db2.gz XASRWYGAOUUYHM-RLCCDNCMSA-N 2 2 306.837 3.236 20 0 DGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccs1 ZINC000423223807 434295373 /nfs/dbraw/zinc/29/53/73/434295373.db2.gz ARTRPYSYFKQMDJ-CQSZACIVSA-N 2 2 302.447 3.116 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030547 434295708 /nfs/dbraw/zinc/29/57/08/434295708.db2.gz ASTQUVMFVIVACW-VNHYZAJKSA-N 2 2 316.474 3.338 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030547 434295718 /nfs/dbraw/zinc/29/57/18/434295718.db2.gz ASTQUVMFVIVACW-VNHYZAJKSA-N 2 2 316.474 3.338 20 0 DGADLP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423223392 434296792 /nfs/dbraw/zinc/29/67/92/434296792.db2.gz GISNEBDHMQIURS-XHDPSFHLSA-N 2 2 323.234 3.458 20 0 DGADLP FC(F)(F)Oc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231871 434297509 /nfs/dbraw/zinc/29/75/09/434297509.db2.gz HFYXXPIIJIPENV-ZFWWWQNUSA-N 2 2 314.351 3.378 20 0 DGADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000423233374 434299687 /nfs/dbraw/zinc/29/96/87/434299687.db2.gz JRLUWQJHRDNHEY-ZWKOTPCHSA-N 2 2 315.848 3.360 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423231733 434299878 /nfs/dbraw/zinc/29/98/78/434299878.db2.gz LMKCWDVDBBXGFD-QAPCUYQASA-N 2 2 322.456 3.460 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccccc1 ZINC000423237282 434306887 /nfs/dbraw/zinc/30/68/87/434306887.db2.gz IAXXJZTWRCIYGR-SJORKVTESA-N 2 2 300.377 3.329 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(OC)c1 ZINC000423248267 434308478 /nfs/dbraw/zinc/30/84/78/434308478.db2.gz RISWOYGRLPRDDZ-SUMWQHHRSA-N 2 2 300.402 3.054 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423245387 434309866 /nfs/dbraw/zinc/30/98/66/434309866.db2.gz OWGOKYMAUQMLKA-OXQOHEQNSA-N 2 2 320.440 3.282 20 0 DGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423254340 434316134 /nfs/dbraw/zinc/31/61/34/434316134.db2.gz ZYXYFEGMZNLNGE-YJBOKZPZSA-N 2 2 319.493 3.046 20 0 DGADLP CC[C@H]1C[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@H]1[NH3+] ZINC000387546840 434320251 /nfs/dbraw/zinc/32/02/51/434320251.db2.gz XNYPOIZTGAVZKZ-BLLLJJGKSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@H]1[NH3+] ZINC000387546840 434320258 /nfs/dbraw/zinc/32/02/58/434320258.db2.gz XNYPOIZTGAVZKZ-BLLLJJGKSA-N 2 2 303.381 3.040 20 0 DGADLP COc1ccc(F)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000366068334 434321716 /nfs/dbraw/zinc/32/17/16/434321716.db2.gz LMAPFVZVBPQCBI-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000295359262 434324836 /nfs/dbraw/zinc/32/48/36/434324836.db2.gz JAPOLFSOHIGYFK-RYQLBKOJSA-N 2 2 302.462 3.369 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000423268092 434325616 /nfs/dbraw/zinc/32/56/16/434325616.db2.gz FXZWXXXUADFMGD-QMTHXVAHSA-N 2 2 315.255 3.092 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346028 434330344 /nfs/dbraw/zinc/33/03/44/434330344.db2.gz MDRGRUZODVIXCQ-LNMJFAINSA-N 2 2 302.462 3.053 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388346028 434330353 /nfs/dbraw/zinc/33/03/53/434330353.db2.gz MDRGRUZODVIXCQ-LNMJFAINSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423277588 434332920 /nfs/dbraw/zinc/33/29/20/434332920.db2.gz QAGKBGKGEVONCF-QWFCFKBJSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@@H]1[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423277588 434332931 /nfs/dbraw/zinc/33/29/31/434332931.db2.gz QAGKBGKGEVONCF-QWFCFKBJSA-N 3 2 315.505 3.019 20 0 DGADLP CCOC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002555 434277337 /nfs/dbraw/zinc/27/73/37/434277337.db2.gz GNTYRWJRBKPWMX-APWZRJJASA-N 2 2 304.478 3.084 20 0 DGADLP CCOC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002555 434277340 /nfs/dbraw/zinc/27/73/40/434277340.db2.gz GNTYRWJRBKPWMX-APWZRJJASA-N 2 2 304.478 3.084 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H]2CCC[NH2+]2)cc1 ZINC000423196489 434277616 /nfs/dbraw/zinc/27/76/16/434277616.db2.gz ZVDFSQLPVACHDK-MTNOOBJLSA-N 2 2 312.413 3.227 20 0 DGADLP c1cncc(C[NH+]2CCC(Nc3cc(C4CC4)cc[nH+]3)CC2)c1 ZINC000353616494 434277713 /nfs/dbraw/zinc/27/77/13/434277713.db2.gz CKEVQEOVZYJOPZ-UHFFFAOYSA-N 2 2 308.429 3.431 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423195978 434278048 /nfs/dbraw/zinc/27/80/48/434278048.db2.gz YRAPFSGSLZZQQV-LLVKDONJSA-N 2 2 320.234 3.416 20 0 DGADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390584022 434363174 /nfs/dbraw/zinc/36/31/74/434363174.db2.gz QUQHVFBHZGEPLO-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390584022 434363180 /nfs/dbraw/zinc/36/31/80/434363180.db2.gz QUQHVFBHZGEPLO-RTBURBONSA-N 2 2 316.489 3.446 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2ccncc2OCCC(C)(C)C)CC1 ZINC000287451160 434364690 /nfs/dbraw/zinc/36/46/90/434364690.db2.gz VBWNPGBDBXRZJM-UHFFFAOYSA-N 2 2 319.493 3.471 20 0 DGADLP C[C@H]1[C@@H]([NH2+]CCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390757661 434365349 /nfs/dbraw/zinc/36/53/49/434365349.db2.gz XHIFIHMAZYOQTG-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1[C@@H]([NH2+]CCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390757661 434365358 /nfs/dbraw/zinc/36/53/58/434365358.db2.gz XHIFIHMAZYOQTG-LPHOPBHVSA-N 2 2 302.462 3.056 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000390672797 434366136 /nfs/dbraw/zinc/36/61/36/434366136.db2.gz SNHARZNEVMPFBK-QYZOEREBSA-N 3 2 315.505 3.147 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000390672797 434366146 /nfs/dbraw/zinc/36/61/46/434366146.db2.gz SNHARZNEVMPFBK-QYZOEREBSA-N 3 2 315.505 3.147 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423329293 434367295 /nfs/dbraw/zinc/36/72/95/434367295.db2.gz LDNPMJFSBKFKSA-OAHLLOKOSA-N 2 2 317.260 3.270 20 0 DGADLP c1cn(CCCC[NH2+][C@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000390861985 434369032 /nfs/dbraw/zinc/36/90/32/434369032.db2.gz LSQLRLNKYBBZCN-LJQANCHMSA-N 2 2 306.413 3.438 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423340674 434372025 /nfs/dbraw/zinc/37/20/25/434372025.db2.gz SXLUTKMCJYDAKZ-NVXWUHKLSA-N 2 2 310.869 3.192 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000366251067 434372272 /nfs/dbraw/zinc/37/22/72/434372272.db2.gz VBDRXGRUBCVXIP-YLJYHZDGSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000366251067 434372284 /nfs/dbraw/zinc/37/22/84/434372284.db2.gz VBDRXGRUBCVXIP-YLJYHZDGSA-N 2 2 309.457 3.358 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@@H+]1C ZINC000287513045 434379997 /nfs/dbraw/zinc/37/99/97/434379997.db2.gz ZEUAFVRQTQKUEL-NVXWUHKLSA-N 2 2 319.493 3.469 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC(C)(C)C)CC[N@H+]1C ZINC000287513045 434380007 /nfs/dbraw/zinc/38/00/07/434380007.db2.gz ZEUAFVRQTQKUEL-NVXWUHKLSA-N 2 2 319.493 3.469 20 0 DGADLP C[C@H](O)CCC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751326 434385615 /nfs/dbraw/zinc/38/56/15/434385615.db2.gz DAOVEFVJZYTHPC-QFBILLFUSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@H](O)CCC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000450751326 434385626 /nfs/dbraw/zinc/38/56/26/434385626.db2.gz DAOVEFVJZYTHPC-QFBILLFUSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000423373317 434389293 /nfs/dbraw/zinc/38/92/93/434389293.db2.gz RVYFTSOOVPANQO-ZBEGNZNMSA-N 2 2 312.417 3.157 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(SCCOC)cc2)[C@@H](C)C1 ZINC000358119925 434337163 /nfs/dbraw/zinc/33/71/63/434337163.db2.gz CLNGETPJOVLJOK-MPGHIAIKSA-N 2 2 322.518 3.416 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(SCCOC)cc2)[C@@H](C)C1 ZINC000358119925 434337174 /nfs/dbraw/zinc/33/71/74/434337174.db2.gz CLNGETPJOVLJOK-MPGHIAIKSA-N 2 2 322.518 3.416 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(SCCOC)cc2)[C@@H](C)C1 ZINC000358119914 434337552 /nfs/dbraw/zinc/33/75/52/434337552.db2.gz CLNGETPJOVLJOK-DAYGRLMNSA-N 2 2 322.518 3.416 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(SCCOC)cc2)[C@@H](C)C1 ZINC000358119914 434337559 /nfs/dbraw/zinc/33/75/59/434337559.db2.gz CLNGETPJOVLJOK-DAYGRLMNSA-N 2 2 322.518 3.416 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000423283193 434337794 /nfs/dbraw/zinc/33/77/94/434337794.db2.gz DWBJGCNMFDCNQP-KRWDZBQOSA-N 2 2 301.409 3.417 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423300588 434350021 /nfs/dbraw/zinc/35/00/21/434350021.db2.gz RYRQFPNCLLDDGM-XJKSGUPXSA-N 2 2 318.440 3.488 20 0 DGADLP CSC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423311954 434353020 /nfs/dbraw/zinc/35/30/20/434353020.db2.gz CGWGNSAWVMPUNO-UONOGXRCSA-N 2 2 318.408 3.436 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)ccc1OC(F)F ZINC000423323384 434359964 /nfs/dbraw/zinc/35/99/64/434359964.db2.gz JHIRPTXIUKZQCU-VIFPVBQESA-N 2 2 304.768 3.473 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000366529917 434442808 /nfs/dbraw/zinc/44/28/08/434442808.db2.gz QXAIQWASBNTLMA-HOBHPSKFSA-N 2 2 320.481 3.114 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000366529917 434442817 /nfs/dbraw/zinc/44/28/17/434442817.db2.gz QXAIQWASBNTLMA-HOBHPSKFSA-N 2 2 320.481 3.114 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423482044 434443992 /nfs/dbraw/zinc/44/39/92/434443992.db2.gz XNVQFOWIDGTXGV-VBSBHUPXSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423482044 434443999 /nfs/dbraw/zinc/44/39/99/434443999.db2.gz XNVQFOWIDGTXGV-VBSBHUPXSA-N 3 2 315.505 3.147 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423381424 434396828 /nfs/dbraw/zinc/39/68/28/434396828.db2.gz FORSERXXRPYMPW-SUMWQHHRSA-N 2 2 303.837 3.216 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OC ZINC000423384592 434396914 /nfs/dbraw/zinc/39/69/14/434396914.db2.gz KCMJWMXQYOJDMB-KBXCAEBGSA-N 2 2 320.477 3.441 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353748668 434397424 /nfs/dbraw/zinc/39/74/24/434397424.db2.gz IMIGPOZOXGREAX-HUUCEWRRSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353748668 434397431 /nfs/dbraw/zinc/39/74/31/434397431.db2.gz IMIGPOZOXGREAX-HUUCEWRRSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000353748668 434397440 /nfs/dbraw/zinc/39/74/40/434397440.db2.gz IMIGPOZOXGREAX-HUUCEWRRSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC000353748668 434397448 /nfs/dbraw/zinc/39/74/48/434397448.db2.gz IMIGPOZOXGREAX-HUUCEWRRSA-N 2 2 324.538 3.294 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423400785 434408078 /nfs/dbraw/zinc/40/80/78/434408078.db2.gz XDPNZUFURRRXHE-XYPHTWIQSA-N 2 2 310.869 3.018 20 0 DGADLP COC[C@]1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423415427 434410068 /nfs/dbraw/zinc/41/00/68/434410068.db2.gz OZGPHBMDNGNBQA-IAGOWNOFSA-N 2 2 308.853 3.076 20 0 DGADLP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000438117801 434413607 /nfs/dbraw/zinc/41/36/07/434413607.db2.gz MAKGCBCGGJTKNO-ICSRJNTNSA-N 2 2 324.472 3.038 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CCC[NH2+]1 ZINC000423418971 434414336 /nfs/dbraw/zinc/41/43/36/434414336.db2.gz VKUAWRHGOPFBJZ-IAGOWNOFSA-N 2 2 312.404 3.020 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121554 434419205 /nfs/dbraw/zinc/41/92/05/434419205.db2.gz YQPHEAXRKBYUHN-ACJLOTCBSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121554 434419215 /nfs/dbraw/zinc/41/92/15/434419215.db2.gz YQPHEAXRKBYUHN-ACJLOTCBSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121554 434419225 /nfs/dbraw/zinc/41/92/25/434419225.db2.gz YQPHEAXRKBYUHN-ACJLOTCBSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@@H]21 ZINC000438121554 434419232 /nfs/dbraw/zinc/41/92/32/434419232.db2.gz YQPHEAXRKBYUHN-ACJLOTCBSA-N 2 2 301.409 3.223 20 0 DGADLP COc1ccc2nc(C[NH2+]C3CC[NH+](C(C)C)CC3)sc2c1 ZINC000353771474 434420816 /nfs/dbraw/zinc/42/08/16/434420816.db2.gz AFBCBCVEKZTHCV-UHFFFAOYSA-N 2 2 319.474 3.267 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000423426125 434421090 /nfs/dbraw/zinc/42/10/90/434421090.db2.gz MTDHKZQUYABSNB-SUMWQHHRSA-N 2 2 311.385 3.201 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423438459 434423534 /nfs/dbraw/zinc/42/35/34/434423534.db2.gz UVZBKOYXLNXSAP-RTBURBONSA-N 2 2 308.425 3.159 20 0 DGADLP COc1ccc2nc(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)sc2c1 ZINC000353775393 434425071 /nfs/dbraw/zinc/42/50/71/434425071.db2.gz IXJSCXBRPSUTIC-CYBMUJFWSA-N 2 2 319.474 3.126 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423445789 434429256 /nfs/dbraw/zinc/42/92/56/434429256.db2.gz YQDGPIHNBKCOBB-XOBRGWDASA-N 2 2 323.440 3.183 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000423456820 434431964 /nfs/dbraw/zinc/43/19/64/434431964.db2.gz DUGNZSUOLHUTQD-PWSUYJOCSA-N 2 2 315.280 3.313 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000397102558 434432061 /nfs/dbraw/zinc/43/20/61/434432061.db2.gz PZRVWWNUHMZQDK-XLIONFOSSA-N 2 2 309.457 3.451 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000397102558 434432068 /nfs/dbraw/zinc/43/20/68/434432068.db2.gz PZRVWWNUHMZQDK-XLIONFOSSA-N 2 2 309.457 3.451 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000295701437 434432524 /nfs/dbraw/zinc/43/25/24/434432524.db2.gz FHNNWBUATHOTML-UHFFFAOYSA-N 2 2 318.852 3.057 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000295701437 434432533 /nfs/dbraw/zinc/43/25/33/434432533.db2.gz FHNNWBUATHOTML-UHFFFAOYSA-N 2 2 318.852 3.057 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329563637 434433793 /nfs/dbraw/zinc/43/37/93/434433793.db2.gz NOVAZDYILNOWBX-QLFBSQMISA-N 2 2 312.417 3.072 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000329563637 434433798 /nfs/dbraw/zinc/43/37/98/434433798.db2.gz NOVAZDYILNOWBX-QLFBSQMISA-N 2 2 312.417 3.072 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000397427369 434437335 /nfs/dbraw/zinc/43/73/35/434437335.db2.gz XGBKWVNCNFRAPV-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000397427369 434437345 /nfs/dbraw/zinc/43/73/45/434437345.db2.gz XGBKWVNCNFRAPV-UPJWGTAASA-N 2 2 305.447 3.208 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423498991 434462362 /nfs/dbraw/zinc/46/23/62/434462362.db2.gz IWVXNPVZLTVPDV-IFXJQAMLSA-N 3 2 312.461 3.349 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000423497984 434462403 /nfs/dbraw/zinc/46/24/03/434462403.db2.gz AUJRRZHQPMKSTL-UYHISHBKSA-N 2 2 302.368 3.371 20 0 DGADLP C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000359981752 434462791 /nfs/dbraw/zinc/46/27/91/434462791.db2.gz AOUBSJKJUHPBJD-INIZCTEOSA-N 2 2 305.809 3.164 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000359981752 434462800 /nfs/dbraw/zinc/46/28/00/434462800.db2.gz AOUBSJKJUHPBJD-INIZCTEOSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423506239 434468037 /nfs/dbraw/zinc/46/80/37/434468037.db2.gz OZCLFTKBJXGJMD-HNAYVOBHSA-N 2 2 312.461 3.100 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000353832389 434469171 /nfs/dbraw/zinc/46/91/71/434469171.db2.gz QIYLWFSCHZRJHA-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000353832389 434469178 /nfs/dbraw/zinc/46/91/78/434469178.db2.gz QIYLWFSCHZRJHA-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000353832389 434469184 /nfs/dbraw/zinc/46/91/84/434469184.db2.gz QIYLWFSCHZRJHA-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000353832389 434469195 /nfs/dbraw/zinc/46/91/95/434469195.db2.gz QIYLWFSCHZRJHA-PXNSSMCTSA-N 2 2 324.472 3.097 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423528666 434476590 /nfs/dbraw/zinc/47/65/90/434476590.db2.gz NPPRFRCTCHRARL-RYGJVYDSSA-N 2 2 310.441 3.492 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)C1 ZINC000348758223 434478888 /nfs/dbraw/zinc/47/88/88/434478888.db2.gz ZPTAYNPDFLJJFW-XSYGEPLQSA-N 2 2 316.489 3.210 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)C1 ZINC000348758223 434478897 /nfs/dbraw/zinc/47/88/97/434478897.db2.gz ZPTAYNPDFLJJFW-XSYGEPLQSA-N 2 2 316.489 3.210 20 0 DGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000329790648 434481343 /nfs/dbraw/zinc/48/13/43/434481343.db2.gz CYMFOHKHDOEDLK-NSHDSACASA-N 2 2 300.337 3.070 20 0 DGADLP Fc1ccc2oc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000329790648 434481353 /nfs/dbraw/zinc/48/13/53/434481353.db2.gz CYMFOHKHDOEDLK-NSHDSACASA-N 2 2 300.337 3.070 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400368905 434488185 /nfs/dbraw/zinc/48/81/85/434488185.db2.gz SWBXCQUCTSZCKZ-QXAKKESOSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000400368905 434488192 /nfs/dbraw/zinc/48/81/92/434488192.db2.gz SWBXCQUCTSZCKZ-QXAKKESOSA-N 3 2 315.505 3.017 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000401040956 434489918 /nfs/dbraw/zinc/48/99/18/434489918.db2.gz TZCUKZBBKMHKQF-VNTMZGSJSA-N 3 2 315.505 3.047 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000423575450 434491413 /nfs/dbraw/zinc/49/14/13/434491413.db2.gz QEJZORBCSIRDFA-INIZCTEOSA-N 3 2 303.494 3.004 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062004 434497993 /nfs/dbraw/zinc/49/79/93/434497993.db2.gz UOWWKZWICJKIQN-MJBXVCDLSA-N 2 2 305.491 3.299 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nc2c(s1)CCCC2 ZINC000360062004 434497998 /nfs/dbraw/zinc/49/79/98/434497998.db2.gz UOWWKZWICJKIQN-MJBXVCDLSA-N 2 2 305.491 3.299 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cn2c1 ZINC000341042358 434505849 /nfs/dbraw/zinc/50/58/49/434505849.db2.gz HOTSMVZELWWMEW-UHFFFAOYSA-N 2 2 302.466 3.241 20 0 DGADLP Cc1ccc2[nH+]c(CNCCC[NH+](C(C)C)C(C)C)cn2c1 ZINC000341042358 434505856 /nfs/dbraw/zinc/50/58/56/434505856.db2.gz HOTSMVZELWWMEW-UHFFFAOYSA-N 2 2 302.466 3.241 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@H]1CCSC1 ZINC000296089059 434504443 /nfs/dbraw/zinc/50/44/43/434504443.db2.gz RCJGMFAMFLBSEQ-GFCCVEGCSA-N 2 2 307.850 3.368 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398126700 434457430 /nfs/dbraw/zinc/45/74/30/434457430.db2.gz RQLZIFDMDSVBRB-FHWLQOOXSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398126700 434457439 /nfs/dbraw/zinc/45/74/39/434457439.db2.gz RQLZIFDMDSVBRB-FHWLQOOXSA-N 3 2 303.494 3.003 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000398210168 434457621 /nfs/dbraw/zinc/45/76/21/434457621.db2.gz PHOOOAUQQQEQNU-MSOLQXFVSA-N 2 2 306.519 3.486 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CCSC1 ZINC000398210168 434457630 /nfs/dbraw/zinc/45/76/30/434457630.db2.gz PHOOOAUQQQEQNU-MSOLQXFVSA-N 2 2 306.519 3.486 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404356813 434510838 /nfs/dbraw/zinc/51/08/38/434510838.db2.gz LWTPFZCAPSNNJD-XJKSGUPXSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404356813 434510842 /nfs/dbraw/zinc/51/08/42/434510842.db2.gz LWTPFZCAPSNNJD-XJKSGUPXSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404356805 434511623 /nfs/dbraw/zinc/51/16/23/434511623.db2.gz LWTPFZCAPSNNJD-BBRMVZONSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404356805 434511628 /nfs/dbraw/zinc/51/16/28/434511628.db2.gz LWTPFZCAPSNNJD-BBRMVZONSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404350288 434512236 /nfs/dbraw/zinc/51/22/36/434512236.db2.gz IWGRGCSTFXKZFG-MLGOLLRUSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404350288 434512247 /nfs/dbraw/zinc/51/22/47/434512247.db2.gz IWGRGCSTFXKZFG-MLGOLLRUSA-N 2 2 323.868 3.036 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)[C@@H]1CC[NH3+] ZINC000404339604 434512405 /nfs/dbraw/zinc/51/24/05/434512405.db2.gz CWENYIQDUAUFPS-TZMCWYRMSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)[C@@H]1CC[NH3+] ZINC000404339604 434512414 /nfs/dbraw/zinc/51/24/14/434512414.db2.gz CWENYIQDUAUFPS-TZMCWYRMSA-N 2 2 305.447 3.352 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)sn1 ZINC000404274646 434512561 /nfs/dbraw/zinc/51/25/61/434512561.db2.gz MQLFGJYTACCXKK-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP CC(C)[C@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CS1 ZINC000348838104 434520657 /nfs/dbraw/zinc/52/06/57/434520657.db2.gz MFPTVLVATBMRQP-LSDHHAIUSA-N 2 2 302.447 3.268 20 0 DGADLP CC(C)[NH+]1CCC(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000360117783 434525173 /nfs/dbraw/zinc/52/51/73/434525173.db2.gz FSQOVFHSKJYUMX-UHFFFAOYSA-N 2 2 312.417 3.136 20 0 DGADLP CCOC(=O)c1coc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000353926491 434528680 /nfs/dbraw/zinc/52/86/80/434528680.db2.gz GRIIWAWYTQQQJY-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP CCOC(=O)c1coc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000353926491 434528687 /nfs/dbraw/zinc/52/86/87/434528687.db2.gz GRIIWAWYTQQQJY-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000417852655 434533748 /nfs/dbraw/zinc/53/37/48/434533748.db2.gz ZXUHKFOPVJVEAA-KRWDZBQOSA-N 2 2 322.880 3.462 20 0 DGADLP Clc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCn3cc[nH+]c3)nc2c1 ZINC000451021657 434537219 /nfs/dbraw/zinc/53/72/19/434537219.db2.gz QNGVAGFJAXKGHH-HNNXBMFYSA-N 2 2 315.808 3.250 20 0 DGADLP Clc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCn3cc[nH+]c3)nc2c1 ZINC000451021657 434537231 /nfs/dbraw/zinc/53/72/31/434537231.db2.gz QNGVAGFJAXKGHH-HNNXBMFYSA-N 2 2 315.808 3.250 20 0 DGADLP Clc1ccc2nc([C@@H]3CCC[N@@H+]3CCn3cc[nH+]c3)[nH]c2c1 ZINC000451021657 434537239 /nfs/dbraw/zinc/53/72/39/434537239.db2.gz QNGVAGFJAXKGHH-HNNXBMFYSA-N 2 2 315.808 3.250 20 0 DGADLP Clc1ccc2nc([C@@H]3CCC[N@H+]3CCn3cc[nH+]c3)[nH]c2c1 ZINC000451021657 434537248 /nfs/dbraw/zinc/53/72/48/434537248.db2.gz QNGVAGFJAXKGHH-HNNXBMFYSA-N 2 2 315.808 3.250 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1COC(C)(C)C1)c1cccc(OC)c1 ZINC000417856813 434537904 /nfs/dbraw/zinc/53/79/04/434537904.db2.gz NGMNUXCPGXVVBS-WMZOPIPTSA-N 2 2 320.477 3.235 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2COC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000417885654 434542434 /nfs/dbraw/zinc/54/24/34/434542434.db2.gz HDVXSYYPSJRYII-MSOLQXFVSA-N 2 2 302.462 3.289 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@H](C)[NH3+] ZINC000423805275 434542676 /nfs/dbraw/zinc/54/26/76/434542676.db2.gz CTBTUALFNKCPIY-MEDUHNTESA-N 2 2 314.433 3.009 20 0 DGADLP Cc1cccn2c(CNc3[nH+]ccn3-c3ccccc3)c[nH+]c12 ZINC000438928300 434545623 /nfs/dbraw/zinc/54/56/23/434545623.db2.gz HRTFSAKSJRNBEB-UHFFFAOYSA-N 2 2 303.369 3.441 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)n(C)n1 ZINC000417907689 434546107 /nfs/dbraw/zinc/54/61/07/434546107.db2.gz ALWXKNITCBNVSW-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP CC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360237317 434556762 /nfs/dbraw/zinc/55/67/62/434556762.db2.gz GTMGLXQESHEBKE-SFHVURJKSA-N 2 2 318.505 3.487 20 0 DGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986043 434558461 /nfs/dbraw/zinc/55/84/61/434558461.db2.gz GGFSBRONJVYSRT-GDBMZVCRSA-N 2 2 319.424 3.063 20 0 DGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000353986043 434558466 /nfs/dbraw/zinc/55/84/66/434558466.db2.gz GGFSBRONJVYSRT-GDBMZVCRSA-N 2 2 319.424 3.063 20 0 DGADLP C[C@@H]1CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000527283910 295088938 /nfs/dbraw/zinc/08/89/38/295088938.db2.gz PMYDOSBSGOCLTB-CHWSQXEVSA-N 2 2 308.389 3.059 20 0 DGADLP COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000527629913 295106546 /nfs/dbraw/zinc/10/65/46/295106546.db2.gz RLQNPLKFSWEMRA-UHFFFAOYSA-N 2 2 313.323 3.090 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527654507 295110434 /nfs/dbraw/zinc/11/04/34/295110434.db2.gz QURDPBOQWBUNBX-ZDUSSCGKSA-N 2 2 314.351 3.040 20 0 DGADLP Cc1cc(NC(=O)[C@H](C[NH3+])C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000423904209 434574425 /nfs/dbraw/zinc/57/44/25/434574425.db2.gz MGPGPLYAXZHAPV-MRXNPFEDSA-N 2 2 313.401 3.352 20 0 DGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527753195 295126079 /nfs/dbraw/zinc/12/60/79/295126079.db2.gz QXIZLZJRDGHWQE-CFVMTHIKSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527753195 295126080 /nfs/dbraw/zinc/12/60/80/295126080.db2.gz QXIZLZJRDGHWQE-CFVMTHIKSA-N 2 2 320.399 3.093 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000527865427 295142784 /nfs/dbraw/zinc/14/27/84/295142784.db2.gz GWOPTMKGKLLUQR-INIZCTEOSA-N 2 2 303.450 3.039 20 0 DGADLP Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1Oc1cc[nH+]cc1 ZINC000423912883 434576374 /nfs/dbraw/zinc/57/63/74/434576374.db2.gz UBQQFVNCXUHXFG-CQSZACIVSA-N 2 2 311.385 3.263 20 0 DGADLP CCn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418061921 434576587 /nfs/dbraw/zinc/57/65/87/434576587.db2.gz YGEWMKSTMXHSQR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418061921 434576593 /nfs/dbraw/zinc/57/65/93/434576593.db2.gz YGEWMKSTMXHSQR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000418061921 434576597 /nfs/dbraw/zinc/57/65/97/434576597.db2.gz YGEWMKSTMXHSQR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000418061921 434576605 /nfs/dbraw/zinc/57/66/05/434576605.db2.gz YGEWMKSTMXHSQR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418061921 434576609 /nfs/dbraw/zinc/57/66/09/434576609.db2.gz YGEWMKSTMXHSQR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cncc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000418061921 434576614 /nfs/dbraw/zinc/57/66/14/434576614.db2.gz YGEWMKSTMXHSQR-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1Oc1cc[nH+]cc1 ZINC000423912882 434578019 /nfs/dbraw/zinc/57/80/19/434578019.db2.gz UBQQFVNCXUHXFG-AWEZNQCLSA-N 2 2 311.385 3.263 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393108 295206933 /nfs/dbraw/zinc/20/69/33/295206933.db2.gz DZLAKJQNAZMQBV-OCCSQVGLSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393108 295206935 /nfs/dbraw/zinc/20/69/35/295206935.db2.gz DZLAKJQNAZMQBV-OCCSQVGLSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393108 295206936 /nfs/dbraw/zinc/20/69/36/295206936.db2.gz DZLAKJQNAZMQBV-OCCSQVGLSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393108 295206939 /nfs/dbraw/zinc/20/69/39/295206939.db2.gz DZLAKJQNAZMQBV-OCCSQVGLSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393103 295207029 /nfs/dbraw/zinc/20/70/29/295207029.db2.gz DZLAKJQNAZMQBV-JSGCOSHPSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393103 295207030 /nfs/dbraw/zinc/20/70/30/295207030.db2.gz DZLAKJQNAZMQBV-JSGCOSHPSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393103 295207031 /nfs/dbraw/zinc/20/70/31/295207031.db2.gz DZLAKJQNAZMQBV-JSGCOSHPSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccnc2C(F)(F)F)C[C@@H]1C ZINC000528393103 295207032 /nfs/dbraw/zinc/20/70/32/295207032.db2.gz DZLAKJQNAZMQBV-JSGCOSHPSA-N 2 2 315.383 3.405 20 0 DGADLP Clc1cccnc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424165 295212150 /nfs/dbraw/zinc/21/21/50/295212150.db2.gz KYCDAMASSBIMCJ-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528424165 295212151 /nfs/dbraw/zinc/21/21/51/295212151.db2.gz KYCDAMASSBIMCJ-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528424165 295212153 /nfs/dbraw/zinc/21/21/53/295212153.db2.gz KYCDAMASSBIMCJ-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528424165 295212154 /nfs/dbraw/zinc/21/21/54/295212154.db2.gz KYCDAMASSBIMCJ-GUYCJALGSA-N 2 2 305.853 3.184 20 0 DGADLP C/C(Cl)=C/C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000528483940 295218419 /nfs/dbraw/zinc/21/84/19/295218419.db2.gz IPECCMVEFAZYCI-VQEQIULKSA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C/C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000528483940 295218420 /nfs/dbraw/zinc/21/84/20/295218420.db2.gz IPECCMVEFAZYCI-VQEQIULKSA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C/C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483940 295218421 /nfs/dbraw/zinc/21/84/21/295218421.db2.gz IPECCMVEFAZYCI-VQEQIULKSA-N 2 2 313.898 3.348 20 0 DGADLP C/C(Cl)=C/C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000528483940 295218422 /nfs/dbraw/zinc/21/84/22/295218422.db2.gz IPECCMVEFAZYCI-VQEQIULKSA-N 2 2 313.898 3.348 20 0 DGADLP C[N@H+](Cc1cccnc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528503616 295219911 /nfs/dbraw/zinc/21/99/11/295219911.db2.gz LHNQSRIGBRXADE-PBWFPOADSA-N 2 2 313.367 3.157 20 0 DGADLP C[N@@H+](Cc1cccnc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528503616 295219912 /nfs/dbraw/zinc/21/99/12/295219912.db2.gz LHNQSRIGBRXADE-PBWFPOADSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1cccnc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528503616 295219914 /nfs/dbraw/zinc/21/99/14/295219914.db2.gz LHNQSRIGBRXADE-PBWFPOADSA-N 2 2 313.367 3.157 20 0 DGADLP C[NH+](Cc1cccnc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528503616 295219916 /nfs/dbraw/zinc/21/99/16/295219916.db2.gz LHNQSRIGBRXADE-PBWFPOADSA-N 2 2 313.367 3.157 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422713402 295336782 /nfs/dbraw/zinc/33/67/82/295336782.db2.gz JQROOMVJGZCMHF-ROUUACIJSA-N 2 2 315.461 3.175 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)[C@H]1Sc1ccccc1 ZINC000418117882 434594528 /nfs/dbraw/zinc/59/45/28/434594528.db2.gz UPMGEHRACSXZIX-BRWVUGGUSA-N 2 2 320.502 3.009 20 0 DGADLP CCc1nnc([C@@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)o1 ZINC000439577021 434625726 /nfs/dbraw/zinc/62/57/26/434625726.db2.gz WJUMHRBPVUSAFG-CQSZACIVSA-N 2 2 316.449 3.325 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cncn1C(C)C ZINC000424125559 434630517 /nfs/dbraw/zinc/63/05/17/434630517.db2.gz AGGMJFLLTZEKSR-UHFFFAOYSA-N 2 2 311.433 3.302 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000371008607 434632124 /nfs/dbraw/zinc/63/21/24/434632124.db2.gz YQSIGAVUPXOCNS-MDZRGWNJSA-N 2 2 313.445 3.432 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000371008607 434632133 /nfs/dbraw/zinc/63/21/33/434632133.db2.gz YQSIGAVUPXOCNS-MDZRGWNJSA-N 2 2 313.445 3.432 20 0 DGADLP CC(C)n1cncc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000424159462 434638960 /nfs/dbraw/zinc/63/89/60/434638960.db2.gz SVYLQXPJXFVSIX-UHFFFAOYSA-N 2 2 313.380 3.079 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148309 434640507 /nfs/dbraw/zinc/64/05/07/434640507.db2.gz XLHCYJHBHYJTFT-HUUCEWRRSA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148309 434640512 /nfs/dbraw/zinc/64/05/12/434640512.db2.gz XLHCYJHBHYJTFT-HUUCEWRRSA-N 2 2 320.477 3.270 20 0 DGADLP C[NH+](C)CC(C)(C)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000459544044 434599137 /nfs/dbraw/zinc/59/91/37/434599137.db2.gz CQQPTMICHMDHSM-UHFFFAOYSA-N 2 2 304.356 3.058 20 0 DGADLP CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](C)C(C)C ZINC000409447858 434601475 /nfs/dbraw/zinc/60/14/75/434601475.db2.gz XDTBPVSMUATZFV-DLBZAZTESA-N 2 2 317.477 3.380 20 0 DGADLP CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](C)C(C)C ZINC000409447858 434601480 /nfs/dbraw/zinc/60/14/80/434601480.db2.gz XDTBPVSMUATZFV-DLBZAZTESA-N 2 2 317.477 3.380 20 0 DGADLP CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC(C)(C)C ZINC000409448022 434601683 /nfs/dbraw/zinc/60/16/83/434601683.db2.gz KUVBDIMUQCAZHG-MRXNPFEDSA-N 2 2 317.477 3.382 20 0 DGADLP CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)CC(C)(C)C ZINC000409448022 434601691 /nfs/dbraw/zinc/60/16/91/434601691.db2.gz KUVBDIMUQCAZHG-MRXNPFEDSA-N 2 2 317.477 3.382 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165798 434650087 /nfs/dbraw/zinc/65/00/87/434650087.db2.gz IANCJUHGYLCPAQ-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165798 434650093 /nfs/dbraw/zinc/65/00/93/434650093.db2.gz IANCJUHGYLCPAQ-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165798 434650101 /nfs/dbraw/zinc/65/01/01/434650101.db2.gz IANCJUHGYLCPAQ-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)C1 ZINC000354165798 434650109 /nfs/dbraw/zinc/65/01/09/434650109.db2.gz IANCJUHGYLCPAQ-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207297 434669764 /nfs/dbraw/zinc/66/97/64/434669764.db2.gz MBWUPVDDWWGSHA-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207297 434669770 /nfs/dbraw/zinc/66/97/70/434669770.db2.gz MBWUPVDDWWGSHA-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207297 434669777 /nfs/dbraw/zinc/66/97/77/434669777.db2.gz MBWUPVDDWWGSHA-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)ccc2C)C[C@@H]1C ZINC000354207297 434669781 /nfs/dbraw/zinc/66/97/81/434669781.db2.gz MBWUPVDDWWGSHA-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000349319846 434672185 /nfs/dbraw/zinc/67/21/85/434672185.db2.gz GMQGTGFEIWSDRJ-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C1 ZINC000349319846 434672191 /nfs/dbraw/zinc/67/21/91/434672191.db2.gz GMQGTGFEIWSDRJ-MJGOQNOKSA-N 2 2 316.489 3.303 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226476 434679349 /nfs/dbraw/zinc/67/93/49/434679349.db2.gz WIGWXWLYDYRADW-UKRRQHHQSA-N 2 2 303.406 3.239 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226476 434679359 /nfs/dbraw/zinc/67/93/59/434679359.db2.gz WIGWXWLYDYRADW-UKRRQHHQSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226476 434679364 /nfs/dbraw/zinc/67/93/64/434679364.db2.gz WIGWXWLYDYRADW-UKRRQHHQSA-N 2 2 303.406 3.239 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C[C@H]1C ZINC000354226476 434679373 /nfs/dbraw/zinc/67/93/73/434679373.db2.gz WIGWXWLYDYRADW-UKRRQHHQSA-N 2 2 303.406 3.239 20 0 DGADLP CC(C)n1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000349357358 434688720 /nfs/dbraw/zinc/68/87/20/434688720.db2.gz WTYRKEZANBHUAY-UHFFFAOYSA-N 2 2 315.465 3.353 20 0 DGADLP CC[C@@H](C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC000419216683 434751214 /nfs/dbraw/zinc/75/12/14/434751214.db2.gz OHZYMFZQCZGIIV-KRWDZBQOSA-N 2 2 305.466 3.045 20 0 DGADLP CC[C@@H](C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC000419216683 434751218 /nfs/dbraw/zinc/75/12/18/434751218.db2.gz OHZYMFZQCZGIIV-KRWDZBQOSA-N 2 2 305.466 3.045 20 0 DGADLP CCN(CCC[NH+](CC)CC)Cc1c[nH+]c2ccc(C)cn12 ZINC000349410487 434705316 /nfs/dbraw/zinc/70/53/16/434705316.db2.gz UYVSAOKWRLOBRM-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2ccc(C)cn12 ZINC000349410487 434705323 /nfs/dbraw/zinc/70/53/23/434705323.db2.gz UYVSAOKWRLOBRM-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2ccc(C)cn12 ZINC000349410487 434705329 /nfs/dbraw/zinc/70/53/29/434705329.db2.gz UYVSAOKWRLOBRM-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000360832740 434706154 /nfs/dbraw/zinc/70/61/54/434706154.db2.gz GMMMBJBYOHEUDK-GXTWGEPZSA-N 2 2 300.368 3.320 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000360832740 434706159 /nfs/dbraw/zinc/70/61/59/434706159.db2.gz GMMMBJBYOHEUDK-GXTWGEPZSA-N 2 2 300.368 3.320 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000354335266 434727527 /nfs/dbraw/zinc/72/75/27/434727527.db2.gz RCXYQRSPQYDEIC-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000354335266 434727535 /nfs/dbraw/zinc/72/75/35/434727535.db2.gz RCXYQRSPQYDEIC-YTQUADARSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1nc(NCc2cccc(C[NH+]3CCCCCC3)c2)cc[nH+]1 ZINC000360988142 434756996 /nfs/dbraw/zinc/75/69/96/434756996.db2.gz WUBUHWSJGCJGNV-UHFFFAOYSA-N 2 2 310.445 3.195 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411304380 434758538 /nfs/dbraw/zinc/75/85/38/434758538.db2.gz IGLKLBWJKFGJBC-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411304380 434758542 /nfs/dbraw/zinc/75/85/42/434758542.db2.gz IGLKLBWJKFGJBC-UHFFFAOYSA-N 2 2 317.408 3.397 20 0 DGADLP CO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000453060729 434789116 /nfs/dbraw/zinc/78/91/16/434789116.db2.gz ATQOKRCYYYXOQA-IRXDYDNUSA-N 2 2 315.392 3.059 20 0 DGADLP Cc1nc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000361063080 434782821 /nfs/dbraw/zinc/78/28/21/434782821.db2.gz YBOMMJUXTVSOPF-MAUKXSAKSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1nc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000361063080 434782825 /nfs/dbraw/zinc/78/28/25/434782825.db2.gz YBOMMJUXTVSOPF-MAUKXSAKSA-N 2 2 310.445 3.274 20 0 DGADLP Cc1nc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000361063081 434782976 /nfs/dbraw/zinc/78/29/76/434782976.db2.gz YBOMMJUXTVSOPF-QAPCUYQASA-N 2 2 310.445 3.274 20 0 DGADLP Cc1nc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000361063081 434782979 /nfs/dbraw/zinc/78/29/79/434782979.db2.gz YBOMMJUXTVSOPF-QAPCUYQASA-N 2 2 310.445 3.274 20 0 DGADLP CC(C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453102322 434800311 /nfs/dbraw/zinc/80/03/11/434800311.db2.gz YAYRUVUGOIWKFQ-MRXNPFEDSA-N 2 2 320.868 3.093 20 0 DGADLP CC(C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453102322 434800315 /nfs/dbraw/zinc/80/03/15/434800315.db2.gz YAYRUVUGOIWKFQ-MRXNPFEDSA-N 2 2 320.868 3.093 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422888212 297357964 /nfs/dbraw/zinc/35/79/64/297357964.db2.gz CDHLILIEZCSUGB-ACZWYYKOSA-N 3 2 315.505 3.134 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422888212 297357967 /nfs/dbraw/zinc/35/79/67/297357967.db2.gz CDHLILIEZCSUGB-ACZWYYKOSA-N 3 2 315.505 3.134 20 0 DGADLP CC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccncc1 ZINC000453067320 434791789 /nfs/dbraw/zinc/79/17/89/434791789.db2.gz AHDXFZZRGHYDNE-KRWDZBQOSA-N 2 2 319.518 3.484 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCCc1cccnc1)CCC2 ZINC000453127882 434809428 /nfs/dbraw/zinc/80/94/28/434809428.db2.gz WQAPKPFNVWFCOG-MAUKXSAKSA-N 2 2 312.461 3.465 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000453230400 434835548 /nfs/dbraw/zinc/83/55/48/434835548.db2.gz XGHBIXMKQBZVAD-KRWDZBQOSA-N 2 2 316.493 3.044 20 0 DGADLP CC(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000361230397 434835685 /nfs/dbraw/zinc/83/56/85/434835685.db2.gz DVBXBUGZURMJJF-DLBZAZTESA-N 2 2 312.885 3.329 20 0 DGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000453252064 434839716 /nfs/dbraw/zinc/83/97/16/434839716.db2.gz BONRJPHKRKKQJJ-OALUTQOASA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccccc1 ZINC000453252064 434839724 /nfs/dbraw/zinc/83/97/24/434839724.db2.gz BONRJPHKRKKQJJ-OALUTQOASA-N 2 2 304.478 3.210 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248832 434840878 /nfs/dbraw/zinc/84/08/78/434840878.db2.gz FWYZMURDVKORHT-JXFKEZNVSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc2ccccc2c1 ZINC000453248832 434840880 /nfs/dbraw/zinc/84/08/80/434840880.db2.gz FWYZMURDVKORHT-JXFKEZNVSA-N 2 2 312.457 3.337 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccs1 ZINC000453250411 434840931 /nfs/dbraw/zinc/84/09/31/434840931.db2.gz ADQFWNDKZPPRJY-CVEARBPZSA-N 2 2 310.507 3.272 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccs1 ZINC000453250411 434840933 /nfs/dbraw/zinc/84/09/33/434840933.db2.gz ADQFWNDKZPPRJY-CVEARBPZSA-N 2 2 310.507 3.272 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc2ccccc21 ZINC000453260214 434843888 /nfs/dbraw/zinc/84/38/88/434843888.db2.gz QWRIZZCPVZPEET-SJLPKXTDSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc2ccccc21 ZINC000453260214 434843891 /nfs/dbraw/zinc/84/38/91/434843891.db2.gz QWRIZZCPVZPEET-SJLPKXTDSA-N 2 2 312.457 3.337 20 0 DGADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453268635 434845029 /nfs/dbraw/zinc/84/50/29/434845029.db2.gz QLCFFQULBPSMAT-MOPGFXCFSA-N 2 2 304.478 3.354 20 0 DGADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453268635 434845032 /nfs/dbraw/zinc/84/50/32/434845032.db2.gz QLCFFQULBPSMAT-MOPGFXCFSA-N 2 2 304.478 3.354 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453263388 434845085 /nfs/dbraw/zinc/84/50/85/434845085.db2.gz TYVIENUBUAXLTI-MOPGFXCFSA-N 2 2 304.478 3.137 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453263388 434845089 /nfs/dbraw/zinc/84/50/89/434845089.db2.gz TYVIENUBUAXLTI-MOPGFXCFSA-N 2 2 304.478 3.137 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000453290972 434849032 /nfs/dbraw/zinc/84/90/32/434849032.db2.gz NGRJXGGJQRJHKA-WOJBJXKFSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000453290972 434849035 /nfs/dbraw/zinc/84/90/35/434849035.db2.gz NGRJXGGJQRJHKA-WOJBJXKFSA-N 2 2 316.489 3.354 20 0 DGADLP C[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000411980002 434851200 /nfs/dbraw/zinc/85/12/00/434851200.db2.gz FMFIKOFHBLENBR-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000411980002 434851202 /nfs/dbraw/zinc/85/12/02/434851202.db2.gz FMFIKOFHBLENBR-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000554047231 434910917 /nfs/dbraw/zinc/91/09/17/434910917.db2.gz CFABRIMQPSXOGA-QZTJIDSGSA-N 2 2 306.494 3.047 20 0 DGADLP CCOCC[NH+]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000460943146 434865632 /nfs/dbraw/zinc/86/56/32/434865632.db2.gz ITGDQSYJROMXEA-UHFFFAOYSA-N 2 2 313.445 3.010 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998362 434942706 /nfs/dbraw/zinc/94/27/06/434942706.db2.gz RKMAWRIVEMXVSG-GDBMZVCRSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998362 434942709 /nfs/dbraw/zinc/94/27/09/434942709.db2.gz RKMAWRIVEMXVSG-GDBMZVCRSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998362 434942712 /nfs/dbraw/zinc/94/27/12/434942712.db2.gz RKMAWRIVEMXVSG-GDBMZVCRSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000573998362 434942715 /nfs/dbraw/zinc/94/27/15/434942715.db2.gz RKMAWRIVEMXVSG-GDBMZVCRSA-N 2 2 304.434 3.128 20 0 DGADLP COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(F)c1 ZINC000574092900 434949535 /nfs/dbraw/zinc/94/95/35/434949535.db2.gz ZFXNPCVHAMGGNM-UHFFFAOYSA-N 2 2 320.383 3.325 20 0 DGADLP CCC(CC)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000492275705 434951230 /nfs/dbraw/zinc/95/12/30/434951230.db2.gz OUFYGFOSLZDCOD-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP CCC(CC)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000492275705 434951233 /nfs/dbraw/zinc/95/12/33/434951233.db2.gz OUFYGFOSLZDCOD-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP C[NH+](C)CCC[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000554877042 434951421 /nfs/dbraw/zinc/95/14/21/434951421.db2.gz DOVLDDCEHZJUJX-UHFFFAOYSA-N 3 2 305.510 3.028 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000554877042 434951426 /nfs/dbraw/zinc/95/14/26/434951426.db2.gz DOVLDDCEHZJUJX-UHFFFAOYSA-N 3 2 305.510 3.028 20 0 DGADLP C[NH+](C)CCC[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000554877042 434951427 /nfs/dbraw/zinc/95/14/27/434951427.db2.gz DOVLDDCEHZJUJX-UHFFFAOYSA-N 3 2 305.510 3.028 20 0 DGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CCC2 ZINC000574124804 434951428 /nfs/dbraw/zinc/95/14/28/434951428.db2.gz KGMVUWLPWCLJLT-OCCSQVGLSA-N 2 2 322.449 3.072 20 0 DGADLP C[NH+](C)CCC[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000554877042 434951429 /nfs/dbraw/zinc/95/14/29/434951429.db2.gz DOVLDDCEHZJUJX-UHFFFAOYSA-N 3 2 305.510 3.028 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@H]3CCC[C@@H]32)cc1 ZINC000574173407 434957094 /nfs/dbraw/zinc/95/70/94/434957094.db2.gz IYQYHRMNISGQQR-QYZOEREBSA-N 2 2 322.456 3.009 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ncccn3)[C@H]3CCC[C@@H]32)cc1 ZINC000574173407 434957097 /nfs/dbraw/zinc/95/70/97/434957097.db2.gz IYQYHRMNISGQQR-QYZOEREBSA-N 2 2 322.456 3.009 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000574245147 434961663 /nfs/dbraw/zinc/96/16/63/434961663.db2.gz NQSMSKCLZDOCPB-JFRXWTBNSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000574245147 434961669 /nfs/dbraw/zinc/96/16/69/434961669.db2.gz NQSMSKCLZDOCPB-JFRXWTBNSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000638169580 434971204 /nfs/dbraw/zinc/97/12/04/434971204.db2.gz BHEZNNNTJGEJMB-WSTZPKSXSA-N 2 2 324.472 3.293 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000638169580 434971206 /nfs/dbraw/zinc/97/12/06/434971206.db2.gz BHEZNNNTJGEJMB-WSTZPKSXSA-N 2 2 324.472 3.293 20 0 DGADLP c1cn(C2CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC2)c[nH+]1 ZINC000637982704 434922532 /nfs/dbraw/zinc/92/25/32/434922532.db2.gz IAPWVEJYKKCQEJ-KRWDZBQOSA-N 2 2 310.445 3.047 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000462832068 434933497 /nfs/dbraw/zinc/93/34/97/434933497.db2.gz GSJDTODVZQDTFV-LSTHTHJFSA-N 2 2 316.489 3.302 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000462832068 434933502 /nfs/dbraw/zinc/93/35/02/434933502.db2.gz GSJDTODVZQDTFV-LSTHTHJFSA-N 2 2 316.489 3.302 20 0 DGADLP Fc1cc(C[NH2+]Cc2cc(C3CC3)no2)ccc1-n1cc[nH+]c1 ZINC000638421666 435027803 /nfs/dbraw/zinc/02/78/03/435027803.db2.gz YBSHCUGEZLQLHK-UHFFFAOYSA-N 2 2 312.348 3.167 20 0 DGADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000638447059 435031753 /nfs/dbraw/zinc/03/17/53/435031753.db2.gz AUMAIIGWHNDLCK-AWEZNQCLSA-N 2 2 305.447 3.046 20 0 DGADLP CCc1ccc([C@H](C[NH2+]C2CC(n3cccn3)C2)[NH+](C)C)cc1 ZINC000638288442 434997311 /nfs/dbraw/zinc/99/73/11/434997311.db2.gz QLJTZIKJVUQTMX-ACBHZAAOSA-N 2 2 312.461 3.042 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000574707037 434998919 /nfs/dbraw/zinc/99/89/19/434998919.db2.gz IHWFQAJKFOHDGG-QGZVFWFLSA-N 2 2 313.445 3.085 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000574707037 434998922 /nfs/dbraw/zinc/99/89/22/434998922.db2.gz IHWFQAJKFOHDGG-QGZVFWFLSA-N 2 2 313.445 3.085 20 0 DGADLP CO[C@](C)(C[NH2+]CCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000638298442 435000120 /nfs/dbraw/zinc/00/01/20/435000120.db2.gz QRXAVQNAFQLWMP-GOSISDBHSA-N 2 2 301.434 3.140 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000464772012 435000590 /nfs/dbraw/zinc/00/05/90/435000590.db2.gz DZIQUBOBSQCSRS-OAHLLOKOSA-N 2 2 310.869 3.383 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000464772012 435000594 /nfs/dbraw/zinc/00/05/94/435000594.db2.gz DZIQUBOBSQCSRS-OAHLLOKOSA-N 2 2 310.869 3.383 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000464772011 435000635 /nfs/dbraw/zinc/00/06/35/435000635.db2.gz DZIQUBOBSQCSRS-HNNXBMFYSA-N 2 2 310.869 3.383 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000464772011 435000639 /nfs/dbraw/zinc/00/06/39/435000639.db2.gz DZIQUBOBSQCSRS-HNNXBMFYSA-N 2 2 310.869 3.383 20 0 DGADLP CC[C@H](C[NH2+]CCC1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000638334339 435007449 /nfs/dbraw/zinc/00/74/49/435007449.db2.gz BFBWKGDZWYKVNK-HXUWFJFHSA-N 2 2 316.489 3.230 20 0 DGADLP CC[C@H](C[NH2+]CCC1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000638334339 435007452 /nfs/dbraw/zinc/00/74/52/435007452.db2.gz BFBWKGDZWYKVNK-HXUWFJFHSA-N 2 2 316.489 3.230 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(F)c1N)[N@H+](C)Cc1ccccc1 ZINC000638619244 435060228 /nfs/dbraw/zinc/06/02/28/435060228.db2.gz QUAGMJWSBCVUGD-CQSZACIVSA-N 2 2 301.409 3.018 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(F)c1N)[N@@H+](C)Cc1ccccc1 ZINC000638619244 435060231 /nfs/dbraw/zinc/06/02/31/435060231.db2.gz QUAGMJWSBCVUGD-CQSZACIVSA-N 2 2 301.409 3.018 20 0 DGADLP CC[C@](C)(C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000638697470 435072994 /nfs/dbraw/zinc/07/29/94/435072994.db2.gz DFHVHWDWMBNSMD-FUHWJXTLSA-N 2 2 301.434 3.109 20 0 DGADLP COc1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000638720951 435075745 /nfs/dbraw/zinc/07/57/45/435075745.db2.gz LZTLEAMMHXQKQF-UHFFFAOYSA-N 2 2 309.479 3.038 20 0 DGADLP CC(C)O[C@@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000638723256 435078111 /nfs/dbraw/zinc/07/81/11/435078111.db2.gz ZEZZMVGVLNECBF-ROUUACIJSA-N 2 2 322.518 3.180 20 0 DGADLP CC(C)O[C@@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000638723258 435078753 /nfs/dbraw/zinc/07/87/53/435078753.db2.gz ZEZZMVGVLNECBF-ZWKOTPCHSA-N 2 2 322.518 3.180 20 0 DGADLP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)n1cc[nH+]c1 ZINC000578538197 435091083 /nfs/dbraw/zinc/09/10/83/435091083.db2.gz PQKOTISBPKANSZ-GFCCVEGCSA-N 2 2 320.824 3.188 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c[nH+]1 ZINC000558421814 435088753 /nfs/dbraw/zinc/08/87/53/435088753.db2.gz IDNGGAKRVRRIJW-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c[nH+]1 ZINC000558421814 435088757 /nfs/dbraw/zinc/08/87/57/435088757.db2.gz IDNGGAKRVRRIJW-UHFFFAOYSA-N 2 2 323.444 3.452 20 0 DGADLP CO[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)CC(C)C ZINC000638788393 435089592 /nfs/dbraw/zinc/08/95/92/435089592.db2.gz JDEPAQOOGPFIBL-VQIMIIECSA-N 2 2 319.493 3.258 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000638518408 435045584 /nfs/dbraw/zinc/04/55/84/435045584.db2.gz KJVMDQAOSUKVJK-SFHVURJKSA-N 2 2 324.472 3.390 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)OC ZINC000638788205 435090140 /nfs/dbraw/zinc/09/01/40/435090140.db2.gz DROPTPZCXZWHJJ-BXWFABGCSA-N 2 2 319.493 3.258 20 0 DGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cccc3c[nH]nc31)C2 ZINC000530736715 435048114 /nfs/dbraw/zinc/04/81/14/435048114.db2.gz TYMHSGHMTGOMPC-HNNXBMFYSA-N 2 2 323.444 3.162 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]C1CCC3(CCOCC3)CC1)CCCC2 ZINC000557367389 435051180 /nfs/dbraw/zinc/05/11/80/435051180.db2.gz PMVWRKOWEMYUSR-UHFFFAOYSA-N 2 2 303.450 3.048 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000532203562 435148445 /nfs/dbraw/zinc/14/84/45/435148445.db2.gz DKDCISKHZKZDLG-ZWKOTPCHSA-N 2 2 304.478 3.311 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000532203562 435148449 /nfs/dbraw/zinc/14/84/49/435148449.db2.gz DKDCISKHZKZDLG-ZWKOTPCHSA-N 2 2 304.478 3.311 20 0 DGADLP CC1CC[NH+](Cc2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)cc2)CC1 ZINC000493321723 435148671 /nfs/dbraw/zinc/14/86/71/435148671.db2.gz NTYREQFEGNOEMS-VOTSOKGWSA-N 2 2 324.428 3.294 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000578617346 435096038 /nfs/dbraw/zinc/09/60/38/435096038.db2.gz DUFMFTNSAGNLTF-NNYOOSKESA-N 2 2 318.461 3.034 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000578648679 435100621 /nfs/dbraw/zinc/10/06/21/435100621.db2.gz ATEUJIVEPVRWLY-CJNGLKHVSA-N 2 2 311.385 3.119 20 0 DGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531728256 435115177 /nfs/dbraw/zinc/11/51/77/435115177.db2.gz MQDCDSBQMJNDMQ-KDOFPFPSSA-N 2 2 302.462 3.449 20 0 DGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531728256 435115179 /nfs/dbraw/zinc/11/51/79/435115179.db2.gz MQDCDSBQMJNDMQ-KDOFPFPSSA-N 2 2 302.462 3.449 20 0 DGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000560098279 435149927 /nfs/dbraw/zinc/14/99/27/435149927.db2.gz YZVBOPCPUQFJLV-UHFFFAOYSA-N 2 2 305.809 3.171 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]CC[C@H]2CCOC2)c[nH+]1 ZINC000579041235 435126407 /nfs/dbraw/zinc/12/64/07/435126407.db2.gz IZPNJQCNLFCOHG-ZYSHUDEJSA-N 2 2 311.429 3.128 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]CCC[C@H]2CCO2)c[nH+]1 ZINC000639180535 435186302 /nfs/dbraw/zinc/18/63/02/435186302.db2.gz ZUYTUEOLVGWKEL-WDSOQIARSA-N 2 2 311.429 3.270 20 0 DGADLP CO[C@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)C1CCCC1 ZINC000639179088 435186407 /nfs/dbraw/zinc/18/64/07/435186407.db2.gz PRMHERMTLBQRCX-LJQANCHMSA-N 2 2 320.477 3.381 20 0 DGADLP CO[C@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)C1CCCC1 ZINC000639179088 435186409 /nfs/dbraw/zinc/18/64/09/435186409.db2.gz PRMHERMTLBQRCX-LJQANCHMSA-N 2 2 320.477 3.381 20 0 DGADLP CC[C@H](C)[C@@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180049 435188206 /nfs/dbraw/zinc/18/82/06/435188206.db2.gz XEXVCGUYASCOIS-MAUKXSAKSA-N 2 2 308.466 3.237 20 0 DGADLP CC[C@H](C)[C@@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)OC ZINC000639180049 435188211 /nfs/dbraw/zinc/18/82/11/435188211.db2.gz XEXVCGUYASCOIS-MAUKXSAKSA-N 2 2 308.466 3.237 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000493692295 435190034 /nfs/dbraw/zinc/19/00/34/435190034.db2.gz VBNRSVXRJFVOMJ-UXOAXIEHSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000493692295 435190037 /nfs/dbraw/zinc/19/00/37/435190037.db2.gz VBNRSVXRJFVOMJ-UXOAXIEHSA-N 2 2 304.400 3.427 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779161 435191017 /nfs/dbraw/zinc/19/10/17/435191017.db2.gz LOCYOWDNSYXVOS-JSGCOSHPSA-N 2 2 311.857 3.048 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779161 435191023 /nfs/dbraw/zinc/19/10/23/435191023.db2.gz LOCYOWDNSYXVOS-JSGCOSHPSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779161 435191026 /nfs/dbraw/zinc/19/10/26/435191026.db2.gz LOCYOWDNSYXVOS-JSGCOSHPSA-N 2 2 311.857 3.048 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(OC)c(Cl)c2)C[C@@H]1C ZINC000532779161 435191030 /nfs/dbraw/zinc/19/10/30/435191030.db2.gz LOCYOWDNSYXVOS-JSGCOSHPSA-N 2 2 311.857 3.048 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475337267 435192951 /nfs/dbraw/zinc/19/29/51/435192951.db2.gz PZTRNHIDQAPXQF-HDICACEKSA-N 2 2 310.441 3.406 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475337267 435192955 /nfs/dbraw/zinc/19/29/55/435192955.db2.gz PZTRNHIDQAPXQF-HDICACEKSA-N 2 2 310.441 3.406 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475337267 435192960 /nfs/dbraw/zinc/19/29/60/435192960.db2.gz PZTRNHIDQAPXQF-HDICACEKSA-N 2 2 310.441 3.406 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475337267 435192965 /nfs/dbraw/zinc/19/29/65/435192965.db2.gz PZTRNHIDQAPXQF-HDICACEKSA-N 2 2 310.441 3.406 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878767 435196609 /nfs/dbraw/zinc/19/66/09/435196609.db2.gz UIOBNBYLDSCXMW-HNAYVOBHSA-N 2 2 314.473 3.320 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000532878767 435196612 /nfs/dbraw/zinc/19/66/12/435196612.db2.gz UIOBNBYLDSCXMW-HNAYVOBHSA-N 2 2 314.473 3.320 20 0 DGADLP CCOC1CC(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000639215878 435201821 /nfs/dbraw/zinc/20/18/21/435201821.db2.gz KQIUGDGNUFSDDU-UHFFFAOYSA-N 2 2 319.836 3.430 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988285 435203220 /nfs/dbraw/zinc/20/32/20/435203220.db2.gz WGKCCEGZLNQVEG-QFBILLFUSA-N 2 2 324.472 3.448 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988285 435203223 /nfs/dbraw/zinc/20/32/23/435203223.db2.gz WGKCCEGZLNQVEG-QFBILLFUSA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988285 435203225 /nfs/dbraw/zinc/20/32/25/435203225.db2.gz WGKCCEGZLNQVEG-QFBILLFUSA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C ZINC000532988285 435203229 /nfs/dbraw/zinc/20/32/29/435203229.db2.gz WGKCCEGZLNQVEG-QFBILLFUSA-N 2 2 324.472 3.448 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000560244215 435156532 /nfs/dbraw/zinc/15/65/32/435156532.db2.gz AOAAYFAZKFYECZ-QRQLOZEOSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000560244215 435156533 /nfs/dbraw/zinc/15/65/33/435156533.db2.gz AOAAYFAZKFYECZ-QRQLOZEOSA-N 2 2 318.505 3.426 20 0 DGADLP Cn1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2ccccc21 ZINC000639114031 435159966 /nfs/dbraw/zinc/15/99/66/435159966.db2.gz CODICVZFPNQQBB-GOSISDBHSA-N 2 2 307.397 3.227 20 0 DGADLP Cn1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2ccccc21 ZINC000639114031 435159970 /nfs/dbraw/zinc/15/99/70/435159970.db2.gz CODICVZFPNQQBB-GOSISDBHSA-N 2 2 307.397 3.227 20 0 DGADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccns3)C2)CC1 ZINC000639119441 435162655 /nfs/dbraw/zinc/16/26/55/435162655.db2.gz BJODLPVBIISRRL-UHFFFAOYSA-N 2 2 319.396 3.038 20 0 DGADLP CCC[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)OC ZINC000639121461 435164036 /nfs/dbraw/zinc/16/40/36/435164036.db2.gz PMBGMONDFGVVBA-NRXISQOPSA-N 2 2 322.415 3.196 20 0 DGADLP CCC[C@@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000532474770 435170589 /nfs/dbraw/zinc/17/05/89/435170589.db2.gz ACBGAOGNSBRKRI-LJQANCHMSA-N 2 2 317.521 3.363 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n(C)n1 ZINC000639146209 435172378 /nfs/dbraw/zinc/17/23/78/435172378.db2.gz BCTLXPVAIWPUSJ-XLIONFOSSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n(C)n1 ZINC000639146209 435172382 /nfs/dbraw/zinc/17/23/82/435172382.db2.gz BCTLXPVAIWPUSJ-XLIONFOSSA-N 2 2 324.472 3.186 20 0 DGADLP CC(C)O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000639147998 435175174 /nfs/dbraw/zinc/17/51/74/435175174.db2.gz AIHUGMIHLKRZKW-GOSISDBHSA-N 2 2 313.445 3.475 20 0 DGADLP CCc1cnc(C[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000533065492 435208782 /nfs/dbraw/zinc/20/87/82/435208782.db2.gz PGLDSHAFKDXFKU-UHFFFAOYSA-N 2 2 310.401 3.493 20 0 DGADLP CC[C@@](C)(C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639243055 435210287 /nfs/dbraw/zinc/21/02/87/435210287.db2.gz TYYPGUBWXCQHFE-AWEZNQCLSA-N 2 2 310.404 3.150 20 0 DGADLP CC[C@@](C)(C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)OC ZINC000639243055 435210291 /nfs/dbraw/zinc/21/02/91/435210291.db2.gz TYYPGUBWXCQHFE-AWEZNQCLSA-N 2 2 310.404 3.150 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000642612043 435237985 /nfs/dbraw/zinc/23/79/85/435237985.db2.gz RRNQESVSWKPODM-UHFFFAOYSA-N 2 2 322.456 3.412 20 0 DGADLP c1cn(CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)c[nH+]1 ZINC000533581806 435248752 /nfs/dbraw/zinc/24/87/52/435248752.db2.gz UAEWVVFXPVZYMK-LJQANCHMSA-N 2 2 321.428 3.027 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)c3ncccc3C)n2c1 ZINC000562082046 435250840 /nfs/dbraw/zinc/25/08/40/435250840.db2.gz CKXKSXAXVOXMMZ-UHFFFAOYSA-N 2 2 308.429 3.414 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065559 435265103 /nfs/dbraw/zinc/26/51/03/435265103.db2.gz CQTPIKDFMAFQNX-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065559 435265107 /nfs/dbraw/zinc/26/51/07/435265107.db2.gz CQTPIKDFMAFQNX-HOCLYGCPSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065558 435265303 /nfs/dbraw/zinc/26/53/03/435265303.db2.gz CQTPIKDFMAFQNX-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065558 435265308 /nfs/dbraw/zinc/26/53/08/435265308.db2.gz CQTPIKDFMAFQNX-GOEBONIOSA-N 2 2 312.379 3.322 20 0 DGADLP CN(C)c1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127781 435268132 /nfs/dbraw/zinc/26/81/32/435268132.db2.gz DTCPJYVWRRPSDX-UHFFFAOYSA-N 2 2 310.445 3.224 20 0 DGADLP Cc1cccc2[nH+]cc(CN3CCC(C)([NH+]4CCCC4)CC3)n21 ZINC000639374750 435271946 /nfs/dbraw/zinc/27/19/46/435271946.db2.gz KROXPEXEDWGROM-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374866 435272639 /nfs/dbraw/zinc/27/26/39/435272639.db2.gz LQNFMERRPOPEND-UHFFFAOYSA-N 2 2 304.482 3.158 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2cnc(C)nc2C)CC1 ZINC000639376059 435273702 /nfs/dbraw/zinc/27/37/02/435273702.db2.gz RIKREPUPHWNBED-MRXNPFEDSA-N 2 2 316.493 3.495 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(OCCOC)c2)CC1 ZINC000639380285 435275547 /nfs/dbraw/zinc/27/55/47/435275547.db2.gz WNHMHGFRKCTUJQ-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@](C)(CO)Cc2ccccc2F)c[nH+]1 ZINC000639385594 435278477 /nfs/dbraw/zinc/27/84/77/435278477.db2.gz DWWMSYQYTNANEH-LJQANCHMSA-N 2 2 316.420 3.045 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648376999 435279713 /nfs/dbraw/zinc/27/97/13/435279713.db2.gz VPFYGGXXPUEUPN-BXUZGUMPSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648376999 435279719 /nfs/dbraw/zinc/27/97/19/435279719.db2.gz VPFYGGXXPUEUPN-BXUZGUMPSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648376999 435279724 /nfs/dbraw/zinc/27/97/24/435279724.db2.gz VPFYGGXXPUEUPN-BXUZGUMPSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648376999 435279730 /nfs/dbraw/zinc/27/97/30/435279730.db2.gz VPFYGGXXPUEUPN-BXUZGUMPSA-N 2 2 307.825 3.396 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991232 435280306 /nfs/dbraw/zinc/28/03/06/435280306.db2.gz RJYHAAADZCIWBA-HOCLYGCPSA-N 2 2 319.449 3.009 20 0 DGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496991232 435280313 /nfs/dbraw/zinc/28/03/13/435280313.db2.gz RJYHAAADZCIWBA-HOCLYGCPSA-N 2 2 319.449 3.009 20 0 DGADLP C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639392921 435284461 /nfs/dbraw/zinc/28/44/61/435284461.db2.gz OBTLKQBNBCSGBL-MRXNPFEDSA-N 2 2 317.383 3.039 20 0 DGADLP C[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639392921 435284464 /nfs/dbraw/zinc/28/44/64/435284464.db2.gz OBTLKQBNBCSGBL-MRXNPFEDSA-N 2 2 317.383 3.039 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1OC(C)C ZINC000639397730 435285598 /nfs/dbraw/zinc/28/55/98/435285598.db2.gz ONGWPHQGEQRBNB-QGZVFWFLSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)ccc1OC(C)C ZINC000639397730 435285602 /nfs/dbraw/zinc/28/56/02/435285602.db2.gz ONGWPHQGEQRBNB-QGZVFWFLSA-N 2 2 318.461 3.008 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000648400641 435287061 /nfs/dbraw/zinc/28/70/61/435287061.db2.gz AIITWXUJXRVSEW-GUDVDZBRSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCO[C@H](CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412733 435290633 /nfs/dbraw/zinc/29/06/33/435290633.db2.gz XAMNTKPRZKNGBM-XUVXKRRUSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCO[C@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412733 435290637 /nfs/dbraw/zinc/29/06/37/435290637.db2.gz XAMNTKPRZKNGBM-XUVXKRRUSA-N 2 2 316.489 3.371 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648408760 435291405 /nfs/dbraw/zinc/29/14/05/435291405.db2.gz GOCQZIBUFROEJB-UHFFFAOYSA-N 2 2 307.825 3.444 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCO1 ZINC000648429280 435296931 /nfs/dbraw/zinc/29/69/31/435296931.db2.gz KMMRZIWSZADENP-OALUTQOASA-N 2 2 320.452 3.337 20 0 DGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000648450109 435305083 /nfs/dbraw/zinc/30/50/83/435305083.db2.gz VFGYKWUWEQYVRU-TVRKMHQQSA-N 2 2 306.494 3.331 20 0 DGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000648450109 435305089 /nfs/dbraw/zinc/30/50/89/435305089.db2.gz VFGYKWUWEQYVRU-TVRKMHQQSA-N 2 2 306.494 3.331 20 0 DGADLP CC(C)c1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000643025407 435261236 /nfs/dbraw/zinc/26/12/36/435261236.db2.gz LFAAIECDHLMQGI-SOUVJXGZSA-N 2 2 302.466 3.287 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCO1 ZINC000648484887 435316910 /nfs/dbraw/zinc/31/69/10/435316910.db2.gz XKGDMXYMMRNFSR-AYOQOUSVSA-N 2 2 317.477 3.154 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)Cc1cn[nH]c1 ZINC000643374947 435320160 /nfs/dbraw/zinc/32/01/60/435320160.db2.gz GCMYWPWLDHWYQE-UHFFFAOYSA-N 2 2 311.433 3.370 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)Cc1cn[nH]c1 ZINC000643374947 435320165 /nfs/dbraw/zinc/32/01/65/435320165.db2.gz GCMYWPWLDHWYQE-UHFFFAOYSA-N 2 2 311.433 3.370 20 0 DGADLP CC[N@H+](C[C@H]1CCO[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504043 435325075 /nfs/dbraw/zinc/32/50/75/435325075.db2.gz PKMQUPRRZOFKDW-FUHWJXTLSA-N 2 2 317.477 3.045 20 0 DGADLP CC[N@@H+](C[C@H]1CCO[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000639504043 435325078 /nfs/dbraw/zinc/32/50/78/435325078.db2.gz PKMQUPRRZOFKDW-FUHWJXTLSA-N 2 2 317.477 3.045 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CCO2 ZINC000643481732 435334580 /nfs/dbraw/zinc/33/45/80/435334580.db2.gz QFYDTIOQTUGKTB-BZSNNMDCSA-N 2 2 310.397 3.253 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(OC(F)(F)F)c1 ZINC000643501016 435336718 /nfs/dbraw/zinc/33/67/18/435336718.db2.gz PFLOFMPRWMFBTB-YPMHNXCESA-N 2 2 302.340 3.378 20 0 DGADLP c1ccc([C@H](CC2CC2)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000567639090 435337804 /nfs/dbraw/zinc/33/78/04/435337804.db2.gz TXBDOUXCGKGAKD-IBGZPJMESA-N 2 2 322.456 3.445 20 0 DGADLP Brc1cccc2c1CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507629 435339041 /nfs/dbraw/zinc/33/90/41/435339041.db2.gz LAPIXXRUCLDGIU-OAHLLOKOSA-N 2 2 309.251 3.168 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)[C@@H]1CCCO1 ZINC000643502516 435339178 /nfs/dbraw/zinc/33/91/78/435339178.db2.gz IYPNARZLDMYBLE-NJAFHUGGSA-N 2 2 322.880 3.162 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588800 435340347 /nfs/dbraw/zinc/34/03/47/435340347.db2.gz HUAAVBPAUUYQDY-VNHYZAJKSA-N 2 2 300.368 3.295 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588800 435340354 /nfs/dbraw/zinc/34/03/54/435340354.db2.gz HUAAVBPAUUYQDY-VNHYZAJKSA-N 2 2 300.368 3.295 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000567681159 435341755 /nfs/dbraw/zinc/34/17/55/435341755.db2.gz LLYZJOPYZFOLRL-WFASDCNBSA-N 2 2 318.383 3.059 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600397 435342403 /nfs/dbraw/zinc/34/24/03/435342403.db2.gz LVAQPIPCXMSGPL-GZBFAFLISA-N 2 2 300.368 3.437 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600397 435342411 /nfs/dbraw/zinc/34/24/11/435342411.db2.gz LVAQPIPCXMSGPL-GZBFAFLISA-N 2 2 300.368 3.437 20 0 DGADLP C[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000643526529 435343539 /nfs/dbraw/zinc/34/35/39/435343539.db2.gz AQFGLPXRLIHGLR-BLLLJJGKSA-N 2 2 306.356 3.314 20 0 DGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643537741 435346834 /nfs/dbraw/zinc/34/68/34/435346834.db2.gz PJIKWEXVAGAXQF-RLFYNMQTSA-N 2 2 306.425 3.216 20 0 DGADLP CC(C)(C)OC(=O)C1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000535783539 435350620 /nfs/dbraw/zinc/35/06/20/435350620.db2.gz BBXGWLXRZYFBLS-UHFFFAOYSA-N 2 2 321.465 3.153 20 0 DGADLP Cc1cccn2c(C[NH2+]CCN3CCCc4ccccc43)c[nH+]c12 ZINC000608054585 435350637 /nfs/dbraw/zinc/35/06/37/435350637.db2.gz QDZDZLRCCCBJDF-UHFFFAOYSA-N 2 2 320.440 3.185 20 0 DGADLP [NH3+][C@@H](CCC(=O)Nc1ccc2[nH+]ccn2c1)CC1CCCCC1 ZINC000567794363 435356268 /nfs/dbraw/zinc/35/62/68/435356268.db2.gz VHILYHFAKMTVKX-HNNXBMFYSA-N 2 2 314.433 3.351 20 0 DGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000512576035 435363005 /nfs/dbraw/zinc/36/30/05/435363005.db2.gz AKRDLIGHHFTMCM-IAOVAPTHSA-N 2 2 310.869 3.490 20 0 DGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000512576035 435363008 /nfs/dbraw/zinc/36/30/08/435363008.db2.gz AKRDLIGHHFTMCM-IAOVAPTHSA-N 2 2 310.869 3.490 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000480030750 435363147 /nfs/dbraw/zinc/36/31/47/435363147.db2.gz RVSBDYFMJDTMLQ-QZTJIDSGSA-N 2 2 304.478 3.311 20 0 DGADLP CC(C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000536678871 435401277 /nfs/dbraw/zinc/40/12/77/435401277.db2.gz LMTDJSLFLSKUNW-PKOBYXMFSA-N 2 2 302.462 3.295 20 0 DGADLP CC(C)CCOc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000536678871 435401284 /nfs/dbraw/zinc/40/12/84/435401284.db2.gz LMTDJSLFLSKUNW-PKOBYXMFSA-N 2 2 302.462 3.295 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639614138 435367890 /nfs/dbraw/zinc/36/78/90/435367890.db2.gz XFKDGBTUMUSSRB-UHFFFAOYSA-N 2 2 317.437 3.008 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639614138 435367895 /nfs/dbraw/zinc/36/78/95/435367895.db2.gz XFKDGBTUMUSSRB-UHFFFAOYSA-N 2 2 317.437 3.008 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000536067750 435368712 /nfs/dbraw/zinc/36/87/12/435368712.db2.gz YJHCUSDUTMJJAV-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000536067750 435368718 /nfs/dbraw/zinc/36/87/18/435368718.db2.gz YJHCUSDUTMJJAV-LBPRGKRZSA-N 2 2 314.414 3.126 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000480224592 435371757 /nfs/dbraw/zinc/37/17/57/435371757.db2.gz JPKXCGKURCHFDI-KURKYZTESA-N 2 2 318.505 3.442 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000480222760 435371965 /nfs/dbraw/zinc/37/19/65/435371965.db2.gz BZLXRKHMGCNWKG-FQEVSTJZSA-N 2 2 315.505 3.285 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c(C)[nH+]1 ZINC000639642000 435376677 /nfs/dbraw/zinc/37/66/77/435376677.db2.gz XFVVHINABUWLLP-KBPBESRZSA-N 2 2 304.356 3.044 20 0 DGADLP C[C@@H](CCCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674333 435379892 /nfs/dbraw/zinc/37/98/92/435379892.db2.gz QOMNVBZMLTZBCO-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CCCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648674333 435379897 /nfs/dbraw/zinc/37/98/97/435379897.db2.gz QOMNVBZMLTZBCO-FUHWJXTLSA-N 2 2 304.478 3.038 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000643898396 435380711 /nfs/dbraw/zinc/38/07/11/435380711.db2.gz DYLZZRHQWYOSAT-IRXDYDNUSA-N 2 2 304.478 3.228 20 0 DGADLP C[C@@H]1OCC[C@H]1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000639675269 435389479 /nfs/dbraw/zinc/38/94/79/435389479.db2.gz DGJKKTPATAJLFP-HOCLYGCPSA-N 2 2 313.445 3.242 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)cc1OC ZINC000480743078 435393584 /nfs/dbraw/zinc/39/35/84/435393584.db2.gz YLPLWFHGTBXXKJ-ZOBUZTSGSA-N 2 2 320.477 3.475 20 0 DGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000480743078 435393587 /nfs/dbraw/zinc/39/35/87/435393587.db2.gz YLPLWFHGTBXXKJ-ZOBUZTSGSA-N 2 2 320.477 3.475 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169802 435398656 /nfs/dbraw/zinc/39/86/56/435398656.db2.gz UKOOWUBFPMIYCS-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169802 435398661 /nfs/dbraw/zinc/39/86/61/435398661.db2.gz UKOOWUBFPMIYCS-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169802 435398666 /nfs/dbraw/zinc/39/86/66/435398666.db2.gz UKOOWUBFPMIYCS-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568169802 435398670 /nfs/dbraw/zinc/39/86/70/435398670.db2.gz UKOOWUBFPMIYCS-SWLSCSKDSA-N 2 2 318.383 3.011 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000515094076 435463379 /nfs/dbraw/zinc/46/33/79/435463379.db2.gz ZTJSCABUPURQNT-LMSBXDPUSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000515094076 435463383 /nfs/dbraw/zinc/46/33/83/435463383.db2.gz ZTJSCABUPURQNT-LMSBXDPUSA-N 2 2 304.503 3.238 20 0 DGADLP COc1cc(F)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC000515305017 435475272 /nfs/dbraw/zinc/47/52/72/435475272.db2.gz HAHYZDGMVWZCFW-UHFFFAOYSA-N 2 2 324.440 3.195 20 0 DGADLP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639979935 435478402 /nfs/dbraw/zinc/47/84/02/435478402.db2.gz MKIFTSZTRUWFHX-UHFFFAOYSA-N 2 2 317.408 3.035 20 0 DGADLP COc1cccc(OCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639983107 435479887 /nfs/dbraw/zinc/47/98/87/435479887.db2.gz AYLJRGCTOJWCKE-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP c1cn(CCC[NH+]2CCC(OCC3CCCCC3)CC2)c[nH+]1 ZINC000537251677 435433647 /nfs/dbraw/zinc/43/36/47/435433647.db2.gz ZINCEQKGADPQIJ-UHFFFAOYSA-N 2 2 305.466 3.335 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639874134 435441994 /nfs/dbraw/zinc/44/19/94/435441994.db2.gz WIHMVBUEVBLZJY-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639874134 435441998 /nfs/dbraw/zinc/44/19/98/435441998.db2.gz WIHMVBUEVBLZJY-GOSISDBHSA-N 2 2 319.412 3.308 20 0 DGADLP Brc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000516063374 435511236 /nfs/dbraw/zinc/51/12/36/435511236.db2.gz PDSKMSMMBBVJEZ-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP Brc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000516063374 435511243 /nfs/dbraw/zinc/51/12/43/435511243.db2.gz PDSKMSMMBBVJEZ-ZDUSSCGKSA-N 2 2 315.280 3.086 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000569212081 435514197 /nfs/dbraw/zinc/51/41/97/435514197.db2.gz SQXOGUYCQVGJMZ-HXUWFJFHSA-N 2 2 320.440 3.224 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)n1C ZINC000569260991 435519246 /nfs/dbraw/zinc/51/92/46/435519246.db2.gz XTHUECOGIBJGAQ-NSHDSACASA-N 2 2 322.250 3.212 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000639987570 435481894 /nfs/dbraw/zinc/48/18/94/435481894.db2.gz DZZLPWNXHLAPJW-GOSISDBHSA-N 3 2 307.526 3.201 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(Cl)c1 ZINC000568890451 435481959 /nfs/dbraw/zinc/48/19/59/435481959.db2.gz VUYSGOASTWZMNB-OAHLLOKOSA-N 2 2 310.869 3.239 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000639987570 435481897 /nfs/dbraw/zinc/48/18/97/435481897.db2.gz DZZLPWNXHLAPJW-GOSISDBHSA-N 3 2 307.526 3.201 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(Cl)c1 ZINC000568890451 435481966 /nfs/dbraw/zinc/48/19/66/435481966.db2.gz VUYSGOASTWZMNB-OAHLLOKOSA-N 2 2 310.869 3.239 20 0 DGADLP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988759 435482597 /nfs/dbraw/zinc/48/25/97/435482597.db2.gz YWQPRMLXNSYEPU-IAGOWNOFSA-N 2 2 323.525 3.020 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]2C1 ZINC000482862593 435487057 /nfs/dbraw/zinc/48/70/57/435487057.db2.gz XUBBUNONYMMMON-IYBDPMFKSA-N 2 2 320.864 3.122 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]2C1 ZINC000482862593 435487063 /nfs/dbraw/zinc/48/70/63/435487063.db2.gz XUBBUNONYMMMON-IYBDPMFKSA-N 2 2 320.864 3.122 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]2C1 ZINC000482862593 435487067 /nfs/dbraw/zinc/48/70/67/435487067.db2.gz XUBBUNONYMMMON-IYBDPMFKSA-N 2 2 320.864 3.122 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C[C@@H]2C1 ZINC000482862593 435487070 /nfs/dbraw/zinc/48/70/70/435487070.db2.gz XUBBUNONYMMMON-IYBDPMFKSA-N 2 2 320.864 3.122 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c(C)cc(C)nc2OC)CC1 ZINC000640016100 435489762 /nfs/dbraw/zinc/48/97/62/435489762.db2.gz UENGXDFNBGWZFF-UHFFFAOYSA-N 2 2 305.466 3.013 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000539057624 435536215 /nfs/dbraw/zinc/53/62/15/435536215.db2.gz CVCALZSBXFIOHB-OLMNPRSZSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000539057624 435536219 /nfs/dbraw/zinc/53/62/19/435536219.db2.gz CVCALZSBXFIOHB-OLMNPRSZSA-N 2 2 316.493 3.420 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CCSC1 ZINC000484500766 435546760 /nfs/dbraw/zinc/54/67/60/435546760.db2.gz XYJZUTORKOKTMM-AEFFLSMTSA-N 2 2 304.503 3.436 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484565105 435548550 /nfs/dbraw/zinc/54/85/50/435548550.db2.gz BQCRDHKWZGWHJI-CVEARBPZSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484565105 435548555 /nfs/dbraw/zinc/54/85/55/435548555.db2.gz BQCRDHKWZGWHJI-CVEARBPZSA-N 2 2 322.880 3.445 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c2c1C ZINC000645202394 435591838 /nfs/dbraw/zinc/59/18/38/435591838.db2.gz SHHBPTHDUTZPND-RDJZCZTQSA-N 2 2 321.428 3.432 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)c2c1C ZINC000645202394 435591840 /nfs/dbraw/zinc/59/18/40/435591840.db2.gz SHHBPTHDUTZPND-RDJZCZTQSA-N 2 2 321.428 3.432 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000539450988 435553253 /nfs/dbraw/zinc/55/32/53/435553253.db2.gz FNNLDOYVSGCGPZ-GOSISDBHSA-N 2 2 323.444 3.387 20 0 DGADLP Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000539450988 435553256 /nfs/dbraw/zinc/55/32/56/435553256.db2.gz FNNLDOYVSGCGPZ-GOSISDBHSA-N 2 2 323.444 3.387 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649344015 435565949 /nfs/dbraw/zinc/56/59/49/435565949.db2.gz OOUBTJRMMQTTQK-VMGRFDJRSA-N 2 2 324.428 3.300 20 0 DGADLP CC[N@@H+]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H](C)C1 ZINC000539738500 435566432 /nfs/dbraw/zinc/56/64/32/435566432.db2.gz YCWBNDIHYARXII-WBVHZDCISA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@H+]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H](C)C1 ZINC000539738500 435566436 /nfs/dbraw/zinc/56/64/36/435566436.db2.gz YCWBNDIHYARXII-WBVHZDCISA-N 2 2 302.466 3.214 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000517145668 435577711 /nfs/dbraw/zinc/57/77/11/435577711.db2.gz PSJIADXHDHIIES-PWSUYJOCSA-N 2 2 315.244 3.043 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000517145668 435577716 /nfs/dbraw/zinc/57/77/16/435577716.db2.gz PSJIADXHDHIIES-PWSUYJOCSA-N 2 2 315.244 3.043 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000569970110 435577802 /nfs/dbraw/zinc/57/78/02/435577802.db2.gz RVSMZDJTYGVMDC-UHFFFAOYSA-N 2 2 322.412 3.141 20 0 DGADLP Cc1[nH]c2nc[nH+]c(N3CCCC[C@H]3c3c[nH+]cn3C)c2c1C ZINC000645148062 435578158 /nfs/dbraw/zinc/57/81/58/435578158.db2.gz RBFKPGUXKLFLBI-ZDUSSCGKSA-N 2 2 310.405 3.040 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539894815 435578593 /nfs/dbraw/zinc/57/85/93/435578593.db2.gz NXRVNAFTLCQJLY-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000539894815 435578597 /nfs/dbraw/zinc/57/85/97/435578597.db2.gz NXRVNAFTLCQJLY-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000539894815 435578599 /nfs/dbraw/zinc/57/85/99/435578599.db2.gz NXRVNAFTLCQJLY-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP c1nc(C2CC2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000539894815 435578604 /nfs/dbraw/zinc/57/86/04/435578604.db2.gz NXRVNAFTLCQJLY-YOEHRIQHSA-N 2 2 317.502 3.469 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414930 435582851 /nfs/dbraw/zinc/58/28/51/435582851.db2.gz AEFHKOUPFNXOFH-ILXRZTDVSA-N 2 2 305.466 3.497 20 0 DGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414930 435582856 /nfs/dbraw/zinc/58/28/56/435582856.db2.gz AEFHKOUPFNXOFH-ILXRZTDVSA-N 2 2 305.466 3.497 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540139878 435588795 /nfs/dbraw/zinc/58/87/95/435588795.db2.gz GSJOUNWKYYOYDF-AWEZNQCLSA-N 2 2 309.413 3.168 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000644902134 435537912 /nfs/dbraw/zinc/53/79/12/435537912.db2.gz ORZRDFFHWWIRQW-KRWDZBQOSA-N 2 2 303.381 3.256 20 0 DGADLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000644902134 435537917 /nfs/dbraw/zinc/53/79/17/435537917.db2.gz ORZRDFFHWWIRQW-KRWDZBQOSA-N 2 2 303.381 3.256 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000484152034 435539102 /nfs/dbraw/zinc/53/91/02/435539102.db2.gz NJFOPTLRZGVUAE-IAGOWNOFSA-N 2 2 304.478 3.429 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(Cl)cn1 ZINC000516670682 435544934 /nfs/dbraw/zinc/54/49/34/435544934.db2.gz JZAVNTUMRFAHGE-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccc(Cl)cn1)Cc1ccco1 ZINC000516670682 435544939 /nfs/dbraw/zinc/54/49/39/435544939.db2.gz JZAVNTUMRFAHGE-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccc(Cl)cn1)Cc1ccco1 ZINC000516670682 435544943 /nfs/dbraw/zinc/54/49/43/435544943.db2.gz JZAVNTUMRFAHGE-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000484513857 435546475 /nfs/dbraw/zinc/54/64/75/435546475.db2.gz VSMVYRNNETYRJJ-MKBNYLNASA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000484513857 435546478 /nfs/dbraw/zinc/54/64/78/435546478.db2.gz VSMVYRNNETYRJJ-MKBNYLNASA-N 2 2 308.853 3.482 20 0 DGADLP COc1cc2[nH+]ccc(NCCc3ccc(C)[nH+]c3)c2cc1OC ZINC000570378905 435614140 /nfs/dbraw/zinc/61/41/40/435614140.db2.gz QZUVYQHHWFVDTN-UHFFFAOYSA-N 2 2 323.396 3.032 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000649541726 435619133 /nfs/dbraw/zinc/61/91/33/435619133.db2.gz GUMXLKKXWZHCPK-KRWDZBQOSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000649541726 435619135 /nfs/dbraw/zinc/61/91/35/435619135.db2.gz GUMXLKKXWZHCPK-KRWDZBQOSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1ccnc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000649541726 435619140 /nfs/dbraw/zinc/61/91/40/435619140.db2.gz GUMXLKKXWZHCPK-KRWDZBQOSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1ccnc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000649541726 435619141 /nfs/dbraw/zinc/61/91/41/435619141.db2.gz GUMXLKKXWZHCPK-KRWDZBQOSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000649541726 435619145 /nfs/dbraw/zinc/61/91/45/435619145.db2.gz GUMXLKKXWZHCPK-KRWDZBQOSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000649541726 435619148 /nfs/dbraw/zinc/61/91/48/435619148.db2.gz GUMXLKKXWZHCPK-KRWDZBQOSA-N 2 2 305.466 3.175 20 0 DGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000645318378 435619398 /nfs/dbraw/zinc/61/93/98/435619398.db2.gz NLKMVYPFNQCVNR-CQSZACIVSA-N 2 2 314.433 3.075 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000649541010 435619874 /nfs/dbraw/zinc/61/98/74/435619874.db2.gz NUKJTJRYOMOOAQ-KRWDZBQOSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000649541010 435619878 /nfs/dbraw/zinc/61/98/78/435619878.db2.gz NUKJTJRYOMOOAQ-KRWDZBQOSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000649541010 435619883 /nfs/dbraw/zinc/61/98/83/435619883.db2.gz NUKJTJRYOMOOAQ-KRWDZBQOSA-N 2 2 317.477 3.177 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000649546580 435621851 /nfs/dbraw/zinc/62/18/51/435621851.db2.gz UIPHNLRNLRTROB-MSOLQXFVSA-N 2 2 317.477 3.316 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000649546580 435621853 /nfs/dbraw/zinc/62/18/53/435621853.db2.gz UIPHNLRNLRTROB-MSOLQXFVSA-N 2 2 317.477 3.316 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000423067209 298964125 /nfs/dbraw/zinc/96/41/25/298964125.db2.gz YWQUAKXCDWADJV-DOPJRALCSA-N 2 2 314.404 3.197 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(OCCC)c1 ZINC000518277665 435631656 /nfs/dbraw/zinc/63/16/56/435631656.db2.gz ZXBFEGMHRUDLIP-QGZVFWFLSA-N 2 2 320.477 3.448 20 0 DGADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000540989409 435633087 /nfs/dbraw/zinc/63/30/87/435633087.db2.gz ZDBHQWMSPGLRSM-MRXNPFEDSA-N 2 2 303.381 3.306 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000570162994 435595598 /nfs/dbraw/zinc/59/55/98/435595598.db2.gz XUJVGEMJWMCGHJ-HOCLYGCPSA-N 2 2 305.491 3.375 20 0 DGADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000570162994 435595603 /nfs/dbraw/zinc/59/56/03/435595603.db2.gz XUJVGEMJWMCGHJ-HOCLYGCPSA-N 2 2 305.491 3.375 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(C2CC2)s1 ZINC000640533362 435598007 /nfs/dbraw/zinc/59/80/07/435598007.db2.gz GHWZGWVECIPDRG-UHFFFAOYSA-N 2 2 308.495 3.113 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(C2CC2)s1 ZINC000640533362 435598010 /nfs/dbraw/zinc/59/80/10/435598010.db2.gz GHWZGWVECIPDRG-UHFFFAOYSA-N 2 2 308.495 3.113 20 0 DGADLP C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530660 435598746 /nfs/dbraw/zinc/59/87/46/435598746.db2.gz GBBROMYTFLRZAC-AWEZNQCLSA-N 2 2 306.454 3.206 20 0 DGADLP C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530660 435598748 /nfs/dbraw/zinc/59/87/48/435598748.db2.gz GBBROMYTFLRZAC-AWEZNQCLSA-N 2 2 306.454 3.206 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000570279638 435604986 /nfs/dbraw/zinc/60/49/86/435604986.db2.gz JSTSSJJCNPQOPF-WOJBJXKFSA-N 2 2 324.472 3.287 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000570279638 435604991 /nfs/dbraw/zinc/60/49/91/435604991.db2.gz JSTSSJJCNPQOPF-WOJBJXKFSA-N 2 2 324.472 3.287 20 0 DGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000570708630 435643843 /nfs/dbraw/zinc/64/38/43/435643843.db2.gz HYDZCBHWLBEFCC-KZNAEPCWSA-N 2 2 311.429 3.352 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000649647774 435655167 /nfs/dbraw/zinc/65/51/67/435655167.db2.gz ZPGNGANWUJHRDF-UHFFFAOYSA-N 2 2 309.457 3.234 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676600 435664521 /nfs/dbraw/zinc/66/45/21/435664521.db2.gz OABVUQAZGFBQIQ-UHFFFAOYSA-N 2 2 307.397 3.281 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676600 435664523 /nfs/dbraw/zinc/66/45/23/435664523.db2.gz OABVUQAZGFBQIQ-UHFFFAOYSA-N 2 2 307.397 3.281 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000519535271 435688259 /nfs/dbraw/zinc/68/82/59/435688259.db2.gz HEFBAGYKGRQWRL-OAQYLSRUSA-N 2 2 320.436 3.279 20 0 DGADLP c1ccc2c(c1)CC(C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000571338999 435699454 /nfs/dbraw/zinc/69/94/54/435699454.db2.gz KXNNPPFTAYNZNM-UHFFFAOYSA-N 2 2 321.468 3.051 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000655699650 435734044 /nfs/dbraw/zinc/73/40/44/435734044.db2.gz HFSIQDOSTJHLDK-OCCSQVGLSA-N 2 2 305.422 3.385 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655704170 435737251 /nfs/dbraw/zinc/73/72/51/435737251.db2.gz RPUMHERYQBZJNF-ZWKOTPCHSA-N 2 2 306.425 3.120 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000646009857 435741771 /nfs/dbraw/zinc/74/17/71/435741771.db2.gz AEICKESFSJZXLY-SFHVURJKSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000646009857 435741778 /nfs/dbraw/zinc/74/17/78/435741778.db2.gz AEICKESFSJZXLY-SFHVURJKSA-N 2 2 301.409 3.199 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655716169 435742971 /nfs/dbraw/zinc/74/29/71/435742971.db2.gz QUIOGTYVRKILFM-HOTGVXAUSA-N 2 2 319.518 3.443 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000655716052 435744594 /nfs/dbraw/zinc/74/45/94/435744594.db2.gz PPFNRVKNUVZBGO-WMZOPIPTSA-N 2 2 302.462 3.207 20 0 DGADLP CC(C)(C)c1cc[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000641448749 435744973 /nfs/dbraw/zinc/74/49/73/435744973.db2.gz FJVBZBUKJACBPI-MRXNPFEDSA-N 2 2 303.450 3.044 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCn2ccnc21)[N@H+](C)Cc1ccccc1 ZINC000655719044 435748948 /nfs/dbraw/zinc/74/89/48/435748948.db2.gz OJTIHPBMKKRAQH-AEFFLSMTSA-N 2 2 312.461 3.218 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CCCn2ccnc21)[N@@H+](C)Cc1ccccc1 ZINC000655719044 435748954 /nfs/dbraw/zinc/74/89/54/435748954.db2.gz OJTIHPBMKKRAQH-AEFFLSMTSA-N 2 2 312.461 3.218 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000571898540 435754165 /nfs/dbraw/zinc/75/41/65/435754165.db2.gz CKWNQMOJVMKMCJ-QGZVFWFLSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000571898540 435754171 /nfs/dbraw/zinc/75/41/71/435754171.db2.gz CKWNQMOJVMKMCJ-QGZVFWFLSA-N 2 2 310.869 3.095 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917257 435755034 /nfs/dbraw/zinc/75/50/34/435755034.db2.gz FJIITVUTFGMVFA-MUGJNUQGSA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917257 435755042 /nfs/dbraw/zinc/75/50/42/435755042.db2.gz FJIITVUTFGMVFA-MUGJNUQGSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917257 435755047 /nfs/dbraw/zinc/75/50/47/435755047.db2.gz FJIITVUTFGMVFA-MUGJNUQGSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917257 435755053 /nfs/dbraw/zinc/75/50/53/435755053.db2.gz FJIITVUTFGMVFA-MUGJNUQGSA-N 2 2 314.473 3.465 20 0 DGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735363 435756674 /nfs/dbraw/zinc/75/66/74/435756674.db2.gz HWMRLXRQIKVJFM-MJGOQNOKSA-N 2 2 318.436 3.046 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000655732160 435758343 /nfs/dbraw/zinc/75/83/43/435758343.db2.gz ZGGJRXJSUYLAGS-CZUORRHYSA-N 2 2 324.415 3.259 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938173 435761399 /nfs/dbraw/zinc/76/13/99/435761399.db2.gz BKELGDOBVSPOTI-PJXRAHGQSA-N 2 2 318.436 3.026 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000571938173 435761400 /nfs/dbraw/zinc/76/14/00/435761400.db2.gz BKELGDOBVSPOTI-PJXRAHGQSA-N 2 2 318.436 3.026 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000571404430 435705427 /nfs/dbraw/zinc/70/54/27/435705427.db2.gz ORFIFDBZWKSWKA-RYUDHWBXSA-N 2 2 303.631 3.072 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792518 435709545 /nfs/dbraw/zinc/70/95/45/435709545.db2.gz RWGQJXUJXWNDLX-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792518 435709549 /nfs/dbraw/zinc/70/95/49/435709549.db2.gz RWGQJXUJXWNDLX-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)s1 ZINC000519792518 435709552 /nfs/dbraw/zinc/70/95/52/435709552.db2.gz RWGQJXUJXWNDLX-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)s1 ZINC000519792518 435709556 /nfs/dbraw/zinc/70/95/56/435709556.db2.gz RWGQJXUJXWNDLX-CMPLNLGQSA-N 2 2 317.296 3.283 20 0 DGADLP Cc1cnccc1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000645897597 435713627 /nfs/dbraw/zinc/71/36/27/435713627.db2.gz BTNCMYJNZQQCLO-GOSISDBHSA-N 2 2 324.472 3.345 20 0 DGADLP Cc1cnccc1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000645897597 435713629 /nfs/dbraw/zinc/71/36/29/435713629.db2.gz BTNCMYJNZQQCLO-GOSISDBHSA-N 2 2 324.472 3.345 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000548792902 435719602 /nfs/dbraw/zinc/71/96/02/435719602.db2.gz JYZZRWWKDWCLPC-QRQLOZEOSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCOCC3)C[N@H+]1Cc1ccccc1 ZINC000548792902 435719605 /nfs/dbraw/zinc/71/96/05/435719605.db2.gz JYZZRWWKDWCLPC-QRQLOZEOSA-N 2 2 314.473 3.198 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000651681092 435790040 /nfs/dbraw/zinc/79/00/40/435790040.db2.gz CGPXCKNENVYKBL-GOSISDBHSA-N 2 2 319.493 3.087 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000651686531 435790945 /nfs/dbraw/zinc/79/09/45/435790945.db2.gz AOSXTMOPHKANQT-INIZCTEOSA-N 2 2 301.434 3.413 20 0 DGADLP CSc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000641707606 435792947 /nfs/dbraw/zinc/79/29/47/435792947.db2.gz MMUAWDGQWYQABH-UHFFFAOYSA-N 2 2 303.431 3.155 20 0 DGADLP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c(-c2ccccc2)n1 ZINC000641703437 435793139 /nfs/dbraw/zinc/79/31/39/435793139.db2.gz SIBBPYNVDMRUFB-SFHVURJKSA-N 2 2 312.461 3.144 20 0 DGADLP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c(-c2ccccc2)n1 ZINC000641703437 435793145 /nfs/dbraw/zinc/79/31/45/435793145.db2.gz SIBBPYNVDMRUFB-SFHVURJKSA-N 2 2 312.461 3.144 20 0 DGADLP C[C@H](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)n1cc[nH+]c1 ZINC000650074207 435808236 /nfs/dbraw/zinc/80/82/36/435808236.db2.gz KWKFSLWFJKBQCP-DYVFJYSZSA-N 2 2 312.417 3.022 20 0 DGADLP Clc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551044784 435819476 /nfs/dbraw/zinc/81/94/76/435819476.db2.gz YCCDAPHDKIEOMX-MRXNPFEDSA-N 2 2 308.853 3.027 20 0 DGADLP Clc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551044784 435819483 /nfs/dbraw/zinc/81/94/83/435819483.db2.gz YCCDAPHDKIEOMX-MRXNPFEDSA-N 2 2 308.853 3.027 20 0 DGADLP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660475400 435764537 /nfs/dbraw/zinc/76/45/37/435764537.db2.gz RLWJHUDPHDBLRM-FQEVSTJZSA-N 2 2 316.489 3.497 20 0 DGADLP CC(C)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660475400 435764542 /nfs/dbraw/zinc/76/45/42/435764542.db2.gz RLWJHUDPHDBLRM-FQEVSTJZSA-N 2 2 316.489 3.497 20 0 DGADLP Clc1ccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655743711 435766175 /nfs/dbraw/zinc/76/61/75/435766175.db2.gz KLADSJZVWXBNKY-KRWDZBQOSA-N 2 2 320.864 3.172 20 0 DGADLP Fc1c[nH+]ccc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000641591759 435769881 /nfs/dbraw/zinc/76/98/81/435769881.db2.gz HUWZUUXHLVGGIS-IBGZPJMESA-N 2 2 311.404 3.323 20 0 DGADLP Fc1c[nH+]ccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000641591759 435769888 /nfs/dbraw/zinc/76/98/88/435769888.db2.gz HUWZUUXHLVGGIS-IBGZPJMESA-N 2 2 311.404 3.323 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](CN[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756107 435775761 /nfs/dbraw/zinc/77/57/61/435775761.db2.gz NZJTYOCAYUHGOC-OALUTQOASA-N 2 2 324.472 3.218 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](CN[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000655756107 435775770 /nfs/dbraw/zinc/77/57/70/435775770.db2.gz NZJTYOCAYUHGOC-OALUTQOASA-N 2 2 324.472 3.218 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1Cl ZINC000572057865 435775876 /nfs/dbraw/zinc/77/58/76/435775876.db2.gz PNCBCXOGZRYGLV-UHFFFAOYSA-N 2 2 323.868 3.072 20 0 DGADLP C[NH+](C)Cc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)cc1Cl ZINC000572057865 435775886 /nfs/dbraw/zinc/77/58/86/435775886.db2.gz PNCBCXOGZRYGLV-UHFFFAOYSA-N 2 2 323.868 3.072 20 0 DGADLP C[C@H](C[NH2+]Cc1c(F)cccc1OC(F)(F)F)C[NH+](C)C ZINC000491588751 435777333 /nfs/dbraw/zinc/77/73/33/435777333.db2.gz LBZSSZXUOUKGLO-SNVBAGLBSA-N 2 2 308.319 3.012 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H](C)C[NH+](C)C)cs2)cc1 ZINC000491595051 435778129 /nfs/dbraw/zinc/77/81/29/435778129.db2.gz WIWCDGYUWSYVTO-CQSZACIVSA-N 2 2 303.475 3.406 20 0 DGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000520839589 435778683 /nfs/dbraw/zinc/77/86/83/435778683.db2.gz KTXTZVXERPTRAG-GOSISDBHSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cncs3)C2)s1 ZINC000660495847 435779201 /nfs/dbraw/zinc/77/92/01/435779201.db2.gz CZBSCNLHTXAQCQ-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cncs3)C2)s1 ZINC000660495847 435779204 /nfs/dbraw/zinc/77/92/04/435779204.db2.gz CZBSCNLHTXAQCQ-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cncs3)C2)s1 ZINC000660495847 435779209 /nfs/dbraw/zinc/77/92/09/435779209.db2.gz CZBSCNLHTXAQCQ-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cncs3)C2)s1 ZINC000660495847 435779216 /nfs/dbraw/zinc/77/92/16/435779216.db2.gz CZBSCNLHTXAQCQ-AWEZNQCLSA-N 2 2 321.515 3.467 20 0 DGADLP C[NH+](C)C[C@H](N[C@@H]1CCCn2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000655766606 435783335 /nfs/dbraw/zinc/78/33/35/435783335.db2.gz SJCSCTFCEPGBES-CVEARBPZSA-N 2 2 318.852 3.264 20 0 DGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655763551 435783356 /nfs/dbraw/zinc/78/33/56/435783356.db2.gz PUFQZRMODZEWKD-WDSOQIARSA-N 2 2 314.473 3.084 20 0 DGADLP C1CCC2(C1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655769856 435786760 /nfs/dbraw/zinc/78/67/60/435786760.db2.gz QQQZPCDBZWQVBP-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP c1c2cnccc2oc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000651671899 435786896 /nfs/dbraw/zinc/78/68/96/435786896.db2.gz HTLYDTMRIBGRPG-UHFFFAOYSA-N 2 2 321.424 3.366 20 0 DGADLP c1c2cnccc2oc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000651671899 435786903 /nfs/dbraw/zinc/78/69/03/435786903.db2.gz HTLYDTMRIBGRPG-UHFFFAOYSA-N 2 2 321.424 3.366 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000655833180 435827833 /nfs/dbraw/zinc/82/78/33/435827833.db2.gz MCLOBVNIPCRVPQ-AWEZNQCLSA-N 2 2 324.431 3.444 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1nc2ccccc2n1C(F)F ZINC000641801390 435827878 /nfs/dbraw/zinc/82/78/78/435827878.db2.gz BWGNBLLQHXVABD-XDTLVQLUSA-N 2 2 308.376 3.208 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000655838112 435829656 /nfs/dbraw/zinc/82/96/56/435829656.db2.gz IRUZWQFOULSBLI-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000655838112 435829662 /nfs/dbraw/zinc/82/96/62/435829662.db2.gz IRUZWQFOULSBLI-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cn2)[C@H]1C ZINC000641809261 435830927 /nfs/dbraw/zinc/83/09/27/435830927.db2.gz QFNGLARZGKCKQO-UHIISALHSA-N 2 2 301.356 3.048 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cn2)[C@H]1C ZINC000641809261 435830935 /nfs/dbraw/zinc/83/09/35/435830935.db2.gz QFNGLARZGKCKQO-UHIISALHSA-N 2 2 301.356 3.048 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000660642684 435837006 /nfs/dbraw/zinc/83/70/06/435837006.db2.gz UHFDZRBCRKGDSW-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000660642684 435837010 /nfs/dbraw/zinc/83/70/10/435837010.db2.gz UHFDZRBCRKGDSW-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1Cl ZINC000660642684 435837016 /nfs/dbraw/zinc/83/70/16/435837016.db2.gz UHFDZRBCRKGDSW-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000660642684 435837023 /nfs/dbraw/zinc/83/70/23/435837023.db2.gz UHFDZRBCRKGDSW-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP C1C[C@H]([C@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848085 435838165 /nfs/dbraw/zinc/83/81/65/435838165.db2.gz ASLZQLIPEYNUEY-LTFXXXRZSA-N 2 2 306.494 3.188 20 0 DGADLP C1C[C@H]([C@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848085 435838170 /nfs/dbraw/zinc/83/81/70/435838170.db2.gz ASLZQLIPEYNUEY-LTFXXXRZSA-N 2 2 306.494 3.188 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000655848470 435840010 /nfs/dbraw/zinc/84/00/10/435840010.db2.gz FPCJFFCGCNXION-RCBQFDQVSA-N 2 2 323.868 3.411 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000655848470 435840027 /nfs/dbraw/zinc/84/00/27/435840027.db2.gz FPCJFFCGCNXION-RCBQFDQVSA-N 2 2 323.868 3.411 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655848166 435840324 /nfs/dbraw/zinc/84/03/24/435840324.db2.gz GFSKQTWFYCNGAQ-WOJBJXKFSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000655848166 435840330 /nfs/dbraw/zinc/84/03/30/435840330.db2.gz GFSKQTWFYCNGAQ-WOJBJXKFSA-N 2 2 313.489 3.262 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000655848472 435840390 /nfs/dbraw/zinc/84/03/90/435840390.db2.gz FPCJFFCGCNXION-VBNZEHGJSA-N 2 2 323.868 3.411 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000655848472 435840395 /nfs/dbraw/zinc/84/03/95/435840395.db2.gz FPCJFFCGCNXION-VBNZEHGJSA-N 2 2 323.868 3.411 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1C(C)C ZINC000655848533 435841102 /nfs/dbraw/zinc/84/11/02/435841102.db2.gz HINXQAJQFMZOKO-QGTPRVQTSA-N 2 2 304.482 3.440 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1C(C)C ZINC000655848533 435841109 /nfs/dbraw/zinc/84/11/09/435841109.db2.gz HINXQAJQFMZOKO-QGTPRVQTSA-N 2 2 304.482 3.440 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850395 435843217 /nfs/dbraw/zinc/84/32/17/435843217.db2.gz IAFRUCJDFLQGKG-NZSAHSFTSA-N 2 2 301.478 3.399 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850395 435843223 /nfs/dbraw/zinc/84/32/23/435843223.db2.gz IAFRUCJDFLQGKG-NZSAHSFTSA-N 2 2 301.478 3.399 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656140 435843975 /nfs/dbraw/zinc/84/39/75/435843975.db2.gz QDJMGUWBPTVZII-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656140 435843982 /nfs/dbraw/zinc/84/39/82/435843982.db2.gz QDJMGUWBPTVZII-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656140 435843986 /nfs/dbraw/zinc/84/39/86/435843986.db2.gz QDJMGUWBPTVZII-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000660656140 435843991 /nfs/dbraw/zinc/84/39/91/435843991.db2.gz QDJMGUWBPTVZII-IBGZPJMESA-N 2 2 311.429 3.259 20 0 DGADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655854948 435845286 /nfs/dbraw/zinc/84/52/86/435845286.db2.gz BELPXQXVLIDGER-OKMWKSJFSA-N 2 2 300.446 3.315 20 0 DGADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655854948 435845291 /nfs/dbraw/zinc/84/52/91/435845291.db2.gz BELPXQXVLIDGER-OKMWKSJFSA-N 2 2 300.446 3.315 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000651866151 435850952 /nfs/dbraw/zinc/85/09/52/435850952.db2.gz WXIHKYPNOBUEHD-UHFFFAOYSA-N 2 2 300.450 3.144 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000651866151 435850957 /nfs/dbraw/zinc/85/09/57/435850957.db2.gz WXIHKYPNOBUEHD-UHFFFAOYSA-N 2 2 300.450 3.144 20 0 DGADLP C[C@H](O)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1F ZINC000651892333 435856805 /nfs/dbraw/zinc/85/68/05/435856805.db2.gz QFQMZHDHSBAXFH-GUYCJALGSA-N 2 2 308.441 3.100 20 0 DGADLP CC[N@H+](CCC[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000651910058 435862475 /nfs/dbraw/zinc/86/24/75/435862475.db2.gz FSGIJMQJZKGYQN-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP CC[N@@H+](CCC[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000651910058 435862485 /nfs/dbraw/zinc/86/24/85/435862485.db2.gz FSGIJMQJZKGYQN-UHFFFAOYSA-N 3 2 321.553 3.495 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3conc3Cc3ccccc3)C2)[nH]1 ZINC000551948176 435864520 /nfs/dbraw/zinc/86/45/20/435864520.db2.gz USTNTOLBTQSKBF-MRXNPFEDSA-N 2 2 322.412 3.368 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3conc3Cc3ccccc3)C2)[nH]1 ZINC000551948176 435864527 /nfs/dbraw/zinc/86/45/27/435864527.db2.gz USTNTOLBTQSKBF-MRXNPFEDSA-N 2 2 322.412 3.368 20 0 DGADLP C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCc1c[nH+]cn1C ZINC000660707107 435867239 /nfs/dbraw/zinc/86/72/39/435867239.db2.gz CBLXHCANBVFKGM-NSHDSACASA-N 2 2 317.824 3.185 20 0 DGADLP C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000660707107 435867244 /nfs/dbraw/zinc/86/72/44/435867244.db2.gz CBLXHCANBVFKGM-NSHDSACASA-N 2 2 317.824 3.185 20 0 DGADLP C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCc1c[nH+]cn1C ZINC000660707107 435867248 /nfs/dbraw/zinc/86/72/48/435867248.db2.gz CBLXHCANBVFKGM-NSHDSACASA-N 2 2 317.824 3.185 20 0 DGADLP C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000660707107 435867252 /nfs/dbraw/zinc/86/72/52/435867252.db2.gz CBLXHCANBVFKGM-NSHDSACASA-N 2 2 317.824 3.185 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000552009572 435871162 /nfs/dbraw/zinc/87/11/62/435871162.db2.gz OJRQWRVVYWPEBH-WISAJEAXSA-N 2 2 302.462 3.168 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000552009572 435871165 /nfs/dbraw/zinc/87/11/65/435871165.db2.gz OJRQWRVVYWPEBH-WISAJEAXSA-N 2 2 302.462 3.168 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000641804997 435826851 /nfs/dbraw/zinc/82/68/51/435826851.db2.gz LHMCMIYPQJLWGY-KGLIPLIRSA-N 2 2 305.809 3.210 20 0 DGADLP CCc1cc[nH+]cc1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000651979556 435884613 /nfs/dbraw/zinc/88/46/13/435884613.db2.gz YZGVEKLBOWSITH-UHFFFAOYSA-N 2 2 301.356 3.473 20 0 DGADLP CC[NH+](CC)Cc1ccccc1CNc1nc[nH+]c(C)c1OC ZINC000656106582 435889913 /nfs/dbraw/zinc/88/99/13/435889913.db2.gz ORTBXCDELLHPOY-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2cccc(Br)c21 ZINC000665276819 435936017 /nfs/dbraw/zinc/93/60/17/435936017.db2.gz NJIIRHZSQBPGND-SQKQQLTESA-N 2 2 321.262 3.339 20 0 DGADLP c1cc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000656279684 435936059 /nfs/dbraw/zinc/93/60/59/435936059.db2.gz YNSQWVRQFNKJOH-MOPGFXCFSA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000656279684 435936065 /nfs/dbraw/zinc/93/60/65/435936065.db2.gz YNSQWVRQFNKJOH-MOPGFXCFSA-N 2 2 314.473 3.161 20 0 DGADLP COCc1cc[nH+]c(NC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000652068451 435902065 /nfs/dbraw/zinc/90/20/65/435902065.db2.gz DXUKWWOQPOHLHM-UHFFFAOYSA-N 2 2 317.355 3.057 20 0 DGADLP C[C@H]([NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000656200983 435911508 /nfs/dbraw/zinc/91/15/08/435911508.db2.gz HEZJSRFELHUIGE-SMDDNHRTSA-N 2 2 314.351 3.304 20 0 DGADLP CCC(C)(C)[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000656215056 435915431 /nfs/dbraw/zinc/91/54/31/435915431.db2.gz SCCZIEPWZUZXAA-UHFFFAOYSA-N 2 2 312.255 3.155 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1c[nH+]ccc1N ZINC000665238401 435925364 /nfs/dbraw/zinc/92/53/64/435925364.db2.gz XTEOQPSASGDJIF-QMTHXVAHSA-N 2 2 317.355 3.035 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)[C@@H]1CCCC[NH2+]1 ZINC000665244556 435926997 /nfs/dbraw/zinc/92/69/97/435926997.db2.gz QLZFTOHYECPSTQ-HOTGVXAUSA-N 2 2 306.425 3.377 20 0 DGADLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCC1)c1ccc(Cl)cc1 ZINC000665246408 435928290 /nfs/dbraw/zinc/92/82/90/435928290.db2.gz FCGINZGHXMHWQX-OAHLLOKOSA-N 2 2 318.852 3.024 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000665247561 435929332 /nfs/dbraw/zinc/92/93/32/435929332.db2.gz FIWMMUUADDHIIA-NSHDSACASA-N 2 2 306.841 3.149 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254046 435930455 /nfs/dbraw/zinc/93/04/55/435930455.db2.gz GUBVDPXEBMRNMC-LSBZLQRGSA-N 2 2 313.420 3.325 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccco2)cc1 ZINC000665254288 435931438 /nfs/dbraw/zinc/93/14/38/435931438.db2.gz LYEWYPPZCPYBFQ-JLSDUUJJSA-N 2 2 314.429 3.475 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H](OC4CCC4)C3)c2)c[nH+]1 ZINC000656271710 435931786 /nfs/dbraw/zinc/93/17/86/435931786.db2.gz KIQRZMUIVPRWJH-INIZCTEOSA-N 2 2 317.458 3.467 20 0 DGADLP COc1ccc(-c2cc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])on2)cc1 ZINC000665261842 435932544 /nfs/dbraw/zinc/93/25/44/435932544.db2.gz MYYQWCYAIYIJLS-DLBZAZTESA-N 2 2 315.417 3.100 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H](CO)C1CCC1 ZINC000661153050 435980582 /nfs/dbraw/zinc/98/05/82/435980582.db2.gz HVOQUOUONBGIDL-SFHVURJKSA-N 2 2 315.461 3.266 20 0 DGADLP c1ccc(Nc2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nc[nH+]2)cc1 ZINC000656606160 435980805 /nfs/dbraw/zinc/98/08/05/435980805.db2.gz OZMJUMAOEYFDJM-KRWDZBQOSA-N 2 2 323.444 3.189 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000647227241 435981786 /nfs/dbraw/zinc/98/17/86/435981786.db2.gz PZNPRXSFTFZLPP-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000647227241 435981788 /nfs/dbraw/zinc/98/17/88/435981788.db2.gz PZNPRXSFTFZLPP-GOSISDBHSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3csc(C4CC4)n3)cn21 ZINC000647262843 435995059 /nfs/dbraw/zinc/99/50/59/435995059.db2.gz TVROOBNJXGLUJQ-UHFFFAOYSA-N 2 2 312.442 3.309 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cnc(C(C)(C)C)nc3)cn21 ZINC000647263061 435995172 /nfs/dbraw/zinc/99/51/72/435995172.db2.gz CZZZZIDOZNYCGQ-UHFFFAOYSA-N 2 2 323.444 3.063 20 0 DGADLP CCOc1cccc2cc([C@@H](C)[NH2+]CC34CC(C3)C[NH2+]4)oc21 ZINC000665278380 435938763 /nfs/dbraw/zinc/93/87/63/435938763.db2.gz CQNHLDLWPAPOHT-WHENESEISA-N 2 2 300.402 3.234 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283927 435940531 /nfs/dbraw/zinc/94/05/31/435940531.db2.gz XLPTVTCCWHXRFP-CHWSQXEVSA-N 2 2 302.340 3.177 20 0 DGADLP C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)c1c[nH+]ccc1N ZINC000665284075 435940790 /nfs/dbraw/zinc/94/07/90/435940790.db2.gz ZZAVPHYERVMBQX-VIFPVBQESA-N 2 2 311.307 3.085 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000665296185 435941924 /nfs/dbraw/zinc/94/19/24/435941924.db2.gz OFULBKCYWZDXEU-GARJFASQSA-N 2 2 305.249 3.347 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000665296320 435941954 /nfs/dbraw/zinc/94/19/54/435941954.db2.gz QSEFCKMLOLFEGG-ZJUUUORDSA-N 2 2 311.223 3.454 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cc(F)cc(Br)c1 ZINC000665296719 435942097 /nfs/dbraw/zinc/94/20/97/435942097.db2.gz XAYAOCOURYSVHF-NOZJJQNGSA-N 2 2 303.219 3.237 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000665296891 435942256 /nfs/dbraw/zinc/94/22/56/435942256.db2.gz ZHXOZNXZDIDYKU-DZKIICNBSA-N 2 2 324.440 3.032 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000665296317 435943420 /nfs/dbraw/zinc/94/34/20/435943420.db2.gz QSEFCKMLOLFEGG-NXEZZACHSA-N 2 2 311.223 3.454 20 0 DGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000652344876 435953215 /nfs/dbraw/zinc/95/32/15/435953215.db2.gz NBXUWEPIHGOZRT-QGZVFWFLSA-N 2 2 312.404 3.116 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000647168975 435956784 /nfs/dbraw/zinc/95/67/84/435956784.db2.gz UBVBYHMEUUVWPU-UHFFFAOYSA-N 2 2 314.477 3.151 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000647168975 435956787 /nfs/dbraw/zinc/95/67/87/435956787.db2.gz UBVBYHMEUUVWPU-UHFFFAOYSA-N 2 2 314.477 3.151 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)[C@H]1CC[NH3+] ZINC000652355252 435957458 /nfs/dbraw/zinc/95/74/58/435957458.db2.gz SNTFYTHSBSWIBK-JSGCOSHPSA-N 2 2 322.403 3.381 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)[C@H]1CC[NH3+] ZINC000652355252 435957460 /nfs/dbraw/zinc/95/74/60/435957460.db2.gz SNTFYTHSBSWIBK-JSGCOSHPSA-N 2 2 322.403 3.381 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647280945 435998389 /nfs/dbraw/zinc/99/83/89/435998389.db2.gz OIOANTAISQSXIM-HZPDHXFCSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647280945 435998392 /nfs/dbraw/zinc/99/83/92/435998392.db2.gz OIOANTAISQSXIM-HZPDHXFCSA-N 2 2 304.482 3.135 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000650719599 436002842 /nfs/dbraw/zinc/00/28/42/436002842.db2.gz VMOIGTRSEDBRRZ-UWJYYQICSA-N 3 2 323.484 3.016 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000650719599 436002847 /nfs/dbraw/zinc/00/28/47/436002847.db2.gz VMOIGTRSEDBRRZ-UWJYYQICSA-N 3 2 323.484 3.016 20 0 DGADLP [NH3+]Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(F)F)c(F)c1 ZINC000650753951 436018492 /nfs/dbraw/zinc/01/84/92/436018492.db2.gz YWUVRLBHIAXPIV-INIZCTEOSA-N 2 2 308.347 3.250 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCc4cccnc43)cn21 ZINC000647363500 436031230 /nfs/dbraw/zinc/03/12/30/436031230.db2.gz BVFLFKGFZKYOAJ-QGZVFWFLSA-N 2 2 306.413 3.247 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cc4n(n3)CCCC4)cn21 ZINC000647363963 436031622 /nfs/dbraw/zinc/03/16/22/436031622.db2.gz OZUHMWLPPIWCKI-HNNXBMFYSA-N 2 2 323.444 3.069 20 0 DGADLP COC1(C[C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)CCC1 ZINC000647364280 436032784 /nfs/dbraw/zinc/03/27/84/436032784.db2.gz WVEKQDFNKUFVGU-AWEZNQCLSA-N 2 2 301.434 3.123 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656785878 436046064 /nfs/dbraw/zinc/04/60/64/436046064.db2.gz SCMXWPUNLXSNIW-UHFFFAOYSA-N 2 2 320.868 3.312 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656785878 436046069 /nfs/dbraw/zinc/04/60/69/436046069.db2.gz SCMXWPUNLXSNIW-UHFFFAOYSA-N 2 2 320.868 3.312 20 0 DGADLP COc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000656790524 436047980 /nfs/dbraw/zinc/04/79/80/436047980.db2.gz XPZQDIGBEHZJBZ-HUUCEWRRSA-N 2 2 320.433 3.131 20 0 DGADLP CC(C)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C(C)C)c1 ZINC000653069434 436104803 /nfs/dbraw/zinc/10/48/03/436104803.db2.gz NKFZMABWCFWBCL-MRXNPFEDSA-N 2 2 305.466 3.151 20 0 DGADLP CC[C@@H](C)Sc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653081400 436106626 /nfs/dbraw/zinc/10/66/26/436106626.db2.gz NODLLOANXNYXLO-HIFRSBDPSA-N 2 2 323.506 3.103 20 0 DGADLP CCCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](CC)c1ccccc1 ZINC000653089426 436107786 /nfs/dbraw/zinc/10/77/86/436107786.db2.gz HHCBDKNEJPVINV-ZWKOTPCHSA-N 2 2 319.493 3.045 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479883 436059543 /nfs/dbraw/zinc/05/95/43/436059543.db2.gz XKVOGLOOZWNRFB-WBVHZDCISA-N 2 2 306.425 3.188 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479883 436059552 /nfs/dbraw/zinc/05/95/52/436059552.db2.gz XKVOGLOOZWNRFB-WBVHZDCISA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479338 436059739 /nfs/dbraw/zinc/05/97/39/436059739.db2.gz CPHICBDNWJDVCR-UONOGXRCSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479338 436059746 /nfs/dbraw/zinc/05/97/46/436059746.db2.gz CPHICBDNWJDVCR-UONOGXRCSA-N 2 2 307.507 3.405 20 0 DGADLP c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480446 436060979 /nfs/dbraw/zinc/06/09/79/436060979.db2.gz OAKZLUCFVGOJGD-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)[nH]nc1-c1ccccc1 ZINC000647480446 436060985 /nfs/dbraw/zinc/06/09/85/436060985.db2.gz OAKZLUCFVGOJGD-WMZOPIPTSA-N 2 2 310.445 3.041 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479373 436061517 /nfs/dbraw/zinc/06/15/17/436061517.db2.gz DPHDFXBTYDNADQ-HKUYNNGSSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479373 436061518 /nfs/dbraw/zinc/06/15/18/436061518.db2.gz DPHDFXBTYDNADQ-HKUYNNGSSA-N 2 2 324.472 3.145 20 0 DGADLP CCC[N@H+](Cc1ccc(OC)c(O[C@H](C)CC)c1)[C@H]1CC[NH2+]C1 ZINC000647492771 436062431 /nfs/dbraw/zinc/06/24/31/436062431.db2.gz XWORYSLJMJVSLA-WBVHZDCISA-N 2 2 320.477 3.446 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC)c(O[C@H](C)CC)c1)[C@H]1CC[NH2+]C1 ZINC000647492771 436062434 /nfs/dbraw/zinc/06/24/34/436062434.db2.gz XWORYSLJMJVSLA-WBVHZDCISA-N 2 2 320.477 3.446 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647482376 436063674 /nfs/dbraw/zinc/06/36/74/436063674.db2.gz WYLOYOQZPIPVMM-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000647482376 436063679 /nfs/dbraw/zinc/06/36/79/436063679.db2.gz WYLOYOQZPIPVMM-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP Cn1c[nH+]c(CC[NH2+]Cc2c(Cl)cccc2OC(F)F)c1 ZINC000656854871 436063927 /nfs/dbraw/zinc/06/39/27/436063927.db2.gz SHMUVSBGWWVLQL-UHFFFAOYSA-N 2 2 315.751 3.007 20 0 DGADLP c1cc(CCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488592 436064051 /nfs/dbraw/zinc/06/40/51/436064051.db2.gz FQSSZKOMTAEACP-MOPGFXCFSA-N 2 2 314.473 3.161 20 0 DGADLP c1cc(CCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000647488592 436064057 /nfs/dbraw/zinc/06/40/57/436064057.db2.gz FQSSZKOMTAEACP-MOPGFXCFSA-N 2 2 314.473 3.161 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647498537 436064900 /nfs/dbraw/zinc/06/49/00/436064900.db2.gz JUQJGTLAMHDOMZ-GJZGRUSLSA-N 2 2 300.450 3.006 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647498537 436064905 /nfs/dbraw/zinc/06/49/05/436064905.db2.gz JUQJGTLAMHDOMZ-GJZGRUSLSA-N 2 2 300.450 3.006 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000647508074 436068257 /nfs/dbraw/zinc/06/82/57/436068257.db2.gz GNZCYRGEXPHVDV-YOEHRIQHSA-N 2 2 316.470 3.272 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000647508074 436068260 /nfs/dbraw/zinc/06/82/60/436068260.db2.gz GNZCYRGEXPHVDV-YOEHRIQHSA-N 2 2 316.470 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509920 436068602 /nfs/dbraw/zinc/06/86/02/436068602.db2.gz WFDIGYFAGOLZSY-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000647509920 436068608 /nfs/dbraw/zinc/06/86/08/436068608.db2.gz WFDIGYFAGOLZSY-ZJUUUORDSA-N 2 2 304.768 3.111 20 0 DGADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508661 436068971 /nfs/dbraw/zinc/06/89/71/436068971.db2.gz XCOZNLSYMDDIDV-BLLLJJGKSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508661 436068978 /nfs/dbraw/zinc/06/89/78/436068978.db2.gz XCOZNLSYMDDIDV-BLLLJJGKSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508662 436069580 /nfs/dbraw/zinc/06/95/80/436069580.db2.gz XCOZNLSYMDDIDV-LRDDRELGSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)CCO1 ZINC000647508662 436069586 /nfs/dbraw/zinc/06/95/86/436069586.db2.gz XCOZNLSYMDDIDV-LRDDRELGSA-N 2 2 320.433 3.102 20 0 DGADLP CCCOc1c(C[NH+]2CCC(C)([NH3+])CC2)cccc1OCC ZINC000647531413 436073891 /nfs/dbraw/zinc/07/38/91/436073891.db2.gz UVDKVMJUZKFTSG-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)s2)c1 ZINC000647536966 436074896 /nfs/dbraw/zinc/07/48/96/436074896.db2.gz QFNGMISTIRSTOE-MRXNPFEDSA-N 2 2 319.499 3.447 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)s2)c1 ZINC000647536966 436074901 /nfs/dbraw/zinc/07/49/01/436074901.db2.gz QFNGMISTIRSTOE-MRXNPFEDSA-N 2 2 319.499 3.447 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543435 436078346 /nfs/dbraw/zinc/07/83/46/436078346.db2.gz NIBULINFVSVODJ-RBUKOAKNSA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543435 436078349 /nfs/dbraw/zinc/07/83/49/436078349.db2.gz NIBULINFVSVODJ-RBUKOAKNSA-N 3 2 301.478 3.034 20 0 DGADLP c1cnc(Oc2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)cn1 ZINC000647554255 436083807 /nfs/dbraw/zinc/08/38/07/436083807.db2.gz VIDCIXROJQUDEU-KRWDZBQOSA-N 2 2 324.428 3.033 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(OC(F)F)c1 ZINC000657310710 436128281 /nfs/dbraw/zinc/12/82/81/436128281.db2.gz RNLLOENJIAAKOU-NSHDSACASA-N 2 2 307.344 3.282 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2cccc(Br)c2)n1C ZINC000657329621 436140158 /nfs/dbraw/zinc/14/01/58/436140158.db2.gz AFHDMJGNALTLLH-NSHDSACASA-N 2 2 322.250 3.212 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)CCC2 ZINC000657330079 436140169 /nfs/dbraw/zinc/14/01/69/436140169.db2.gz ZICUHVCHQBXJRG-LPHOPBHVSA-N 2 2 311.429 3.087 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000657334414 436143574 /nfs/dbraw/zinc/14/35/74/436143574.db2.gz ZOKRRWZZSPPGBL-OAHLLOKOSA-N 2 2 301.434 3.406 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904107 436144666 /nfs/dbraw/zinc/14/46/66/436144666.db2.gz WUWYYEGTMCZLJG-CZUORRHYSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904107 436144668 /nfs/dbraw/zinc/14/46/68/436144668.db2.gz WUWYYEGTMCZLJG-CZUORRHYSA-N 2 2 308.853 3.313 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000657340208 436146930 /nfs/dbraw/zinc/14/69/30/436146930.db2.gz DKQYROPLBSCDMQ-CQSZACIVSA-N 2 2 315.465 3.063 20 0 DGADLP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C)([NH3+])CC3)n2)cc1F ZINC000647925491 436153107 /nfs/dbraw/zinc/15/31/07/436153107.db2.gz LIZMLOPMACGXCD-LBPRGKRZSA-N 2 2 318.396 3.058 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653115697 436113113 /nfs/dbraw/zinc/11/31/13/436113113.db2.gz XLHBEGRWCYFDPI-HOCLYGCPSA-N 2 2 324.428 3.300 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959935 436157361 /nfs/dbraw/zinc/15/73/61/436157361.db2.gz VOUQKZYNHHOYNG-OAHLLOKOSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959935 436157364 /nfs/dbraw/zinc/15/73/64/436157364.db2.gz VOUQKZYNHHOYNG-OAHLLOKOSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959935 436157367 /nfs/dbraw/zinc/15/73/67/436157367.db2.gz VOUQKZYNHHOYNG-OAHLLOKOSA-N 2 2 319.276 3.126 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000647959935 436157372 /nfs/dbraw/zinc/15/73/72/436157372.db2.gz VOUQKZYNHHOYNG-OAHLLOKOSA-N 2 2 319.276 3.126 20 0 DGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000651263089 436158184 /nfs/dbraw/zinc/15/81/84/436158184.db2.gz CAGUOQHSVFYLRI-JKSUJKDBSA-N 2 2 317.477 3.428 20 0 DGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000651263087 436158856 /nfs/dbraw/zinc/15/88/56/436158856.db2.gz CAGUOQHSVFYLRI-HOTGVXAUSA-N 2 2 317.477 3.428 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1csc2ccccc12 ZINC000647958301 436159033 /nfs/dbraw/zinc/15/90/33/436159033.db2.gz MYVYXSIOHPEJTD-OAHLLOKOSA-N 2 2 306.475 3.034 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1csc2ccccc12 ZINC000647958301 436159038 /nfs/dbraw/zinc/15/90/38/436159038.db2.gz MYVYXSIOHPEJTD-OAHLLOKOSA-N 2 2 306.475 3.034 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1csc2ccccc12 ZINC000647958301 436159043 /nfs/dbraw/zinc/15/90/43/436159043.db2.gz MYVYXSIOHPEJTD-OAHLLOKOSA-N 2 2 306.475 3.034 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000647958301 436159046 /nfs/dbraw/zinc/15/90/46/436159046.db2.gz MYVYXSIOHPEJTD-OAHLLOKOSA-N 2 2 306.475 3.034 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)co1 ZINC000651298232 436162894 /nfs/dbraw/zinc/16/28/94/436162894.db2.gz RZPRSROBUVQYHU-FHWLQOOXSA-N 2 2 311.429 3.207 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)co1 ZINC000651298232 436162897 /nfs/dbraw/zinc/16/28/97/436162897.db2.gz RZPRSROBUVQYHU-FHWLQOOXSA-N 2 2 311.429 3.207 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000657374850 436165622 /nfs/dbraw/zinc/16/56/22/436165622.db2.gz SDGWPOVIYKDOTR-UHFFFAOYSA-N 2 2 324.428 3.233 20 0 DGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000657374850 436165628 /nfs/dbraw/zinc/16/56/28/436165628.db2.gz SDGWPOVIYKDOTR-UHFFFAOYSA-N 2 2 324.428 3.233 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657379238 436168255 /nfs/dbraw/zinc/16/82/55/436168255.db2.gz ZGPJZBZPSYSBMH-CJNGLKHVSA-N 2 2 306.425 3.187 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657379238 436168258 /nfs/dbraw/zinc/16/82/58/436168258.db2.gz ZGPJZBZPSYSBMH-CJNGLKHVSA-N 2 2 306.425 3.187 20 0 DGADLP COCC[C@@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194283 436169453 /nfs/dbraw/zinc/16/94/53/436169453.db2.gz SKJWEASFZRRITH-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194283 436169457 /nfs/dbraw/zinc/16/94/57/436169457.db2.gz SKJWEASFZRRITH-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427866478 301212888 /nfs/dbraw/zinc/21/28/88/301212888.db2.gz LCYGYNHWTXKJQZ-NVXWUHKLSA-N 2 2 311.429 3.318 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)n1C ZINC000657522834 436235080 /nfs/dbraw/zinc/23/50/80/436235080.db2.gz FGAUWEGBEHKAGW-UHFFFAOYSA-N 2 2 313.232 3.083 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523124 436235153 /nfs/dbraw/zinc/23/51/53/436235153.db2.gz DNCFQHKQLCUZNG-NZSAHSFTSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523124 436235157 /nfs/dbraw/zinc/23/51/57/436235157.db2.gz DNCFQHKQLCUZNG-NZSAHSFTSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657523124 436235160 /nfs/dbraw/zinc/23/51/60/436235160.db2.gz DNCFQHKQLCUZNG-NZSAHSFTSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657523124 436235162 /nfs/dbraw/zinc/23/51/62/436235162.db2.gz DNCFQHKQLCUZNG-NZSAHSFTSA-N 2 2 315.505 3.284 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000657525520 436235169 /nfs/dbraw/zinc/23/51/69/436235169.db2.gz YDFRITHVCOWRIY-MRXNPFEDSA-N 2 2 316.424 3.178 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000657525520 436235174 /nfs/dbraw/zinc/23/51/74/436235174.db2.gz YDFRITHVCOWRIY-MRXNPFEDSA-N 2 2 316.424 3.178 20 0 DGADLP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657526441 436235494 /nfs/dbraw/zinc/23/54/94/436235494.db2.gz HIGOQTCQCPUETR-DOTOQJQBSA-N 2 2 320.477 3.063 20 0 DGADLP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657526441 436235499 /nfs/dbraw/zinc/23/54/99/436235499.db2.gz HIGOQTCQCPUETR-DOTOQJQBSA-N 2 2 320.477 3.063 20 0 DGADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653661996 436237251 /nfs/dbraw/zinc/23/72/51/436237251.db2.gz MUODAEDJKXWAOS-GOSISDBHSA-N 2 2 301.409 3.232 20 0 DGADLP Cc1ccccc1[C@@]1(F)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653661996 436237254 /nfs/dbraw/zinc/23/72/54/436237254.db2.gz MUODAEDJKXWAOS-GOSISDBHSA-N 2 2 301.409 3.232 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536767 436238834 /nfs/dbraw/zinc/23/88/34/436238834.db2.gz ZMHAHZNGPFEQDB-ZHALLVOQSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536767 436238837 /nfs/dbraw/zinc/23/88/37/436238837.db2.gz ZMHAHZNGPFEQDB-ZHALLVOQSA-N 2 2 309.457 3.438 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2cccc3[nH+]ccn32)CC2CC2)cn1 ZINC000648057574 436197962 /nfs/dbraw/zinc/19/79/62/436197962.db2.gz ANGFDKNCUZBHRF-UHFFFAOYSA-N 2 2 306.413 3.450 20 0 DGADLP Cc1ccc(C[N@H+](Cc2cccc3[nH+]ccn32)CC2CC2)cn1 ZINC000648057574 436197967 /nfs/dbraw/zinc/19/79/67/436197967.db2.gz ANGFDKNCUZBHRF-UHFFFAOYSA-N 2 2 306.413 3.450 20 0 DGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657439305 436201634 /nfs/dbraw/zinc/20/16/34/436201634.db2.gz ACZUPGPJTHCAGV-UHFFFAOYSA-N 2 2 319.497 3.137 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC2(CCCC2)O1 ZINC000648077461 436204066 /nfs/dbraw/zinc/20/40/66/436204066.db2.gz QZYFYPLJWXKUFU-CQSZACIVSA-N 2 2 317.458 3.467 20 0 DGADLP CC[C@H](OCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590022 436217583 /nfs/dbraw/zinc/21/75/83/436217583.db2.gz JNRAUSRCMPRLAN-MSOLQXFVSA-N 2 2 313.445 3.377 20 0 DGADLP CC[C@H](OCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000653590022 436217585 /nfs/dbraw/zinc/21/75/85/436217585.db2.gz JNRAUSRCMPRLAN-MSOLQXFVSA-N 2 2 313.445 3.377 20 0 DGADLP Fc1cc(F)c2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCC2 ZINC000657476197 436218250 /nfs/dbraw/zinc/21/82/50/436218250.db2.gz CIKAFYYSZFBSQY-INIZCTEOSA-N 2 2 303.356 3.275 20 0 DGADLP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657522152 436232158 /nfs/dbraw/zinc/23/21/58/436232158.db2.gz ADNRUFLHFPIQQU-LJQANCHMSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C ZINC000657750652 436296075 /nfs/dbraw/zinc/29/60/75/436296075.db2.gz KZHJMWYYDPGKLW-BVBHFADKSA-N 2 2 308.510 3.290 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653688916 436244443 /nfs/dbraw/zinc/24/44/43/436244443.db2.gz QYSIPPVCTAPJHZ-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653688916 436244446 /nfs/dbraw/zinc/24/44/46/436244446.db2.gz QYSIPPVCTAPJHZ-IAGOWNOFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccn2c(C[NH2+]CCc3cn(C)c4ccccc34)c[nH+]c12 ZINC000657661838 436270677 /nfs/dbraw/zinc/27/06/77/436270677.db2.gz WKAAUBUSJBJAAE-UHFFFAOYSA-N 2 2 318.424 3.467 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662837 436271313 /nfs/dbraw/zinc/27/13/13/436271313.db2.gz CVYJHSOVUYLXTF-PSBWJHGTSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662837 436271315 /nfs/dbraw/zinc/27/13/15/436271315.db2.gz CVYJHSOVUYLXTF-PSBWJHGTSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667439 436273473 /nfs/dbraw/zinc/27/34/73/436273473.db2.gz RCMSRISQCBUKJJ-PSBWJHGTSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657667439 436273479 /nfs/dbraw/zinc/27/34/79/436273479.db2.gz RCMSRISQCBUKJJ-PSBWJHGTSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@]1(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1(F)F ZINC000657671312 436274518 /nfs/dbraw/zinc/27/45/18/436274518.db2.gz SSVWESIMMUNLNF-INIZCTEOSA-N 2 2 309.404 3.071 20 0 DGADLP Brc1ccc([C@H]2CC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000662095626 436275140 /nfs/dbraw/zinc/27/51/40/436275140.db2.gz QUAMEDAQUQONFD-CQSZACIVSA-N 2 2 306.207 3.093 20 0 DGADLP Brc1ccc([C@H]2CC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000662095626 436275142 /nfs/dbraw/zinc/27/51/42/436275142.db2.gz QUAMEDAQUQONFD-CQSZACIVSA-N 2 2 306.207 3.093 20 0 DGADLP CCCCOc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC ZINC000666767116 436277228 /nfs/dbraw/zinc/27/72/28/436277228.db2.gz VMZODAACJNYOIS-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCCC[NH2+]3)s2)cc1 ZINC000666768223 436277443 /nfs/dbraw/zinc/27/74/43/436277443.db2.gz CXIQBFPYWFOTNK-OAHLLOKOSA-N 2 2 301.459 3.350 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000666769694 436279261 /nfs/dbraw/zinc/27/92/61/436279261.db2.gz CCPGAXCVOGKALT-UONOGXRCSA-N 2 2 323.868 3.097 20 0 DGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000662119243 436279454 /nfs/dbraw/zinc/27/94/54/436279454.db2.gz MMLGPAVCOZWDHN-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000662119243 436279458 /nfs/dbraw/zinc/27/94/58/436279458.db2.gz MMLGPAVCOZWDHN-UHFFFAOYSA-N 2 2 322.456 3.021 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCCSCC1 ZINC000657939563 436344635 /nfs/dbraw/zinc/34/46/35/436344635.db2.gz AYYIILWUCJXWLE-MRXNPFEDSA-N 2 2 319.518 3.444 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657977966 436349146 /nfs/dbraw/zinc/34/91/46/436349146.db2.gz IXAGTZWFAWQPHL-BPQIPLTHSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657977966 436349149 /nfs/dbraw/zinc/34/91/49/436349149.db2.gz IXAGTZWFAWQPHL-BPQIPLTHSA-N 2 2 304.503 3.382 20 0 DGADLP CCOC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657976337 436349180 /nfs/dbraw/zinc/34/91/80/436349180.db2.gz ATAHHZXKSQGPKG-SGZDXZSOSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000657976337 436349183 /nfs/dbraw/zinc/34/91/83/436349183.db2.gz ATAHHZXKSQGPKG-SGZDXZSOSA-N 2 2 316.489 3.444 20 0 DGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cs2)cc1 ZINC000666872502 436298637 /nfs/dbraw/zinc/29/86/37/436298637.db2.gz ABECXBUJRLHSSZ-JSGCOSHPSA-N 2 2 317.458 3.049 20 0 DGADLP CO[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000657769221 436300432 /nfs/dbraw/zinc/30/04/32/436300432.db2.gz WJGKEGNEUCRJAI-OAHLLOKOSA-N 2 2 322.415 3.198 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C1 ZINC000657786938 436304957 /nfs/dbraw/zinc/30/49/57/436304957.db2.gz YTHJQBNFGHMNDU-BPQIPLTHSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C1 ZINC000657786938 436304962 /nfs/dbraw/zinc/30/49/62/436304962.db2.gz YTHJQBNFGHMNDU-BPQIPLTHSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000662248144 436310952 /nfs/dbraw/zinc/31/09/52/436310952.db2.gz VCQRAMSKUXOUBH-CYBMUJFWSA-N 2 2 304.356 3.232 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000662248144 436310958 /nfs/dbraw/zinc/31/09/58/436310958.db2.gz VCQRAMSKUXOUBH-CYBMUJFWSA-N 2 2 304.356 3.232 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1C[NH2+]CCO1 ZINC000662251776 436313688 /nfs/dbraw/zinc/31/36/88/436313688.db2.gz FPTLIYDLWSNAPZ-ZDUSSCGKSA-N 2 2 317.260 3.192 20 0 DGADLP CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1C[NH2+]CCO1 ZINC000662251776 436313690 /nfs/dbraw/zinc/31/36/90/436313690.db2.gz FPTLIYDLWSNAPZ-ZDUSSCGKSA-N 2 2 317.260 3.192 20 0 DGADLP CCC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000662255411 436314372 /nfs/dbraw/zinc/31/43/72/436314372.db2.gz YIQLWFCAPDKITR-ZBFHGGJFSA-N 2 2 302.418 3.194 20 0 DGADLP CCC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000662255411 436314375 /nfs/dbraw/zinc/31/43/75/436314375.db2.gz YIQLWFCAPDKITR-ZBFHGGJFSA-N 2 2 302.418 3.194 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+](C)C)cc1 ZINC000657818860 436316717 /nfs/dbraw/zinc/31/67/17/436316717.db2.gz UZKMDOUSYXLXSU-ZWKOTPCHSA-N 2 2 302.462 3.153 20 0 DGADLP c1ccc2c(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)nsc2c1 ZINC000662275210 436321561 /nfs/dbraw/zinc/32/15/61/436321561.db2.gz VXKFQVXBHWDFDP-DLBZAZTESA-N 2 2 315.486 3.445 20 0 DGADLP c1ccc2c(CC[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)nsc2c1 ZINC000662275210 436321565 /nfs/dbraw/zinc/32/15/65/436321565.db2.gz VXKFQVXBHWDFDP-DLBZAZTESA-N 2 2 315.486 3.445 20 0 DGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657840906 436323003 /nfs/dbraw/zinc/32/30/03/436323003.db2.gz YGARUMPXCDLMLG-QYZOEREBSA-N 2 2 313.489 3.460 20 0 DGADLP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000662281515 436324582 /nfs/dbraw/zinc/32/45/82/436324582.db2.gz MUTQFAFLDWRFRK-OSAQELSMSA-N 2 2 300.368 3.234 20 0 DGADLP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000662281515 436324586 /nfs/dbraw/zinc/32/45/86/436324586.db2.gz MUTQFAFLDWRFRK-OSAQELSMSA-N 2 2 300.368 3.234 20 0 DGADLP CC(C)(C[NH2+][C@@H]1COC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000657849015 436325459 /nfs/dbraw/zinc/32/54/59/436325459.db2.gz AUCVARNRPHDLBO-SFHVURJKSA-N 2 2 314.473 3.125 20 0 DGADLP CC(C)(C[NH2+][C@@H]1COC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000657849015 436325461 /nfs/dbraw/zinc/32/54/61/436325461.db2.gz AUCVARNRPHDLBO-SFHVURJKSA-N 2 2 314.473 3.125 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCCn3nccc32)[NH+]2CCCC2)cc1 ZINC000657860479 436328718 /nfs/dbraw/zinc/32/87/18/436328718.db2.gz ICHNSALHSVQKHM-AZUAARDMSA-N 2 2 324.472 3.453 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319193 436330831 /nfs/dbraw/zinc/33/08/31/436330831.db2.gz KGSZHPOFPIFPAC-CABCVRRESA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319193 436330834 /nfs/dbraw/zinc/33/08/34/436330834.db2.gz KGSZHPOFPIFPAC-CABCVRRESA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059171 436360760 /nfs/dbraw/zinc/36/07/60/436360760.db2.gz VNPVHTWMJDFTAO-CJNGLKHVSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000658059171 436360765 /nfs/dbraw/zinc/36/07/65/436360765.db2.gz VNPVHTWMJDFTAO-CJNGLKHVSA-N 2 2 315.461 3.095 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000658058656 436361526 /nfs/dbraw/zinc/36/15/26/436361526.db2.gz FVVQPPUFXPBTPS-AAEUAGOBSA-N 2 2 311.857 3.267 20 0 DGADLP COc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000658058656 436361529 /nfs/dbraw/zinc/36/15/29/436361529.db2.gz FVVQPPUFXPBTPS-AAEUAGOBSA-N 2 2 311.857 3.267 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000658062711 436363075 /nfs/dbraw/zinc/36/30/75/436363075.db2.gz GUPPZQFWVDBQMB-MBOZVWFJSA-N 2 2 324.472 3.080 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000658062711 436363077 /nfs/dbraw/zinc/36/30/77/436363077.db2.gz GUPPZQFWVDBQMB-MBOZVWFJSA-N 2 2 324.472 3.080 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658060260 436363307 /nfs/dbraw/zinc/36/33/07/436363307.db2.gz YOAFVFMPVASLEB-KGLIPLIRSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658060260 436363310 /nfs/dbraw/zinc/36/33/10/436363310.db2.gz YOAFVFMPVASLEB-KGLIPLIRSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1OC ZINC000658090563 436372595 /nfs/dbraw/zinc/37/25/95/436372595.db2.gz HVIZGJPKDMDXEO-GDBMZVCRSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1OC ZINC000658090563 436372599 /nfs/dbraw/zinc/37/25/99/436372599.db2.gz HVIZGJPKDMDXEO-GDBMZVCRSA-N 2 2 320.477 3.097 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC000658096270 436373352 /nfs/dbraw/zinc/37/33/52/436373352.db2.gz PECGSJZNTYBQOC-CVEARBPZSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC000658096270 436373355 /nfs/dbraw/zinc/37/33/55/436373355.db2.gz PECGSJZNTYBQOC-CVEARBPZSA-N 2 2 302.462 3.015 20 0 DGADLP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000662698003 436378252 /nfs/dbraw/zinc/37/82/52/436378252.db2.gz GNJQTISVUBIMRO-INIZCTEOSA-N 2 2 311.385 3.201 20 0 DGADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC1CCCC1 ZINC000658121971 436381703 /nfs/dbraw/zinc/38/17/03/436381703.db2.gz CKPWDOHBXHEMRR-HNNXBMFYSA-N 2 2 320.399 3.093 20 0 DGADLP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)C1 ZINC000662750810 436384010 /nfs/dbraw/zinc/38/40/10/436384010.db2.gz YTRSSZNPXTVPQJ-JOCQHMNTSA-N 2 2 312.417 3.286 20 0 DGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000662901749 436399363 /nfs/dbraw/zinc/39/93/63/436399363.db2.gz IZNPJTOJWJSROG-GOEBONIOSA-N 2 2 320.481 3.158 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)CCC2)c1 ZINC000658323644 436430146 /nfs/dbraw/zinc/43/01/46/436430146.db2.gz OIXWGSVZBCNHOY-KDOFPFPSSA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)CCC2)c1 ZINC000658323644 436430147 /nfs/dbraw/zinc/43/01/47/436430147.db2.gz OIXWGSVZBCNHOY-KDOFPFPSSA-N 2 2 300.446 3.147 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000658360569 436438279 /nfs/dbraw/zinc/43/82/79/436438279.db2.gz KROWXOYHXMEVDO-SEONNTABSA-N 2 2 324.468 3.219 20 0 DGADLP C[C@H](O)[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000658360569 436438282 /nfs/dbraw/zinc/43/82/82/436438282.db2.gz KROWXOYHXMEVDO-SEONNTABSA-N 2 2 324.468 3.219 20 0 DGADLP C[NH+](C)[C@@H](CNc1[nH+]ccc2c(N)cccc21)Cc1ccccc1 ZINC000663328612 436438677 /nfs/dbraw/zinc/43/86/77/436438677.db2.gz SGVCXEFIHGSZIU-MRXNPFEDSA-N 2 2 320.440 3.402 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663473932 436467650 /nfs/dbraw/zinc/46/76/50/436467650.db2.gz ZWPICRHCMDEDGD-RYQLBKOJSA-N 2 2 324.472 3.180 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663473932 436467653 /nfs/dbraw/zinc/46/76/53/436467653.db2.gz ZWPICRHCMDEDGD-RYQLBKOJSA-N 2 2 324.472 3.180 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464960 436463215 /nfs/dbraw/zinc/46/32/15/436463215.db2.gz HORVSTRJDAJWFQ-RDJZCZTQSA-N 2 2 312.461 3.107 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464960 436463219 /nfs/dbraw/zinc/46/32/19/436463219.db2.gz HORVSTRJDAJWFQ-RDJZCZTQSA-N 2 2 312.461 3.107 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286156 436416840 /nfs/dbraw/zinc/41/68/40/436416840.db2.gz PMAHKSPATVNHEE-SJORKVTESA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccc(OC)c(OC)c2)C1 ZINC000658286156 436416842 /nfs/dbraw/zinc/41/68/42/436416842.db2.gz PMAHKSPATVNHEE-SJORKVTESA-N 2 2 320.477 3.099 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287270 436418688 /nfs/dbraw/zinc/41/86/88/436418688.db2.gz GKLWPEIMYMAPDY-DZGCQCFKSA-N 2 2 315.461 3.051 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000658287270 436418691 /nfs/dbraw/zinc/41/86/91/436418691.db2.gz GKLWPEIMYMAPDY-DZGCQCFKSA-N 2 2 315.461 3.051 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286899 436418847 /nfs/dbraw/zinc/41/88/47/436418847.db2.gz DAEAWSUTEXQFNW-SJORKVTESA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)C1 ZINC000658286899 436418852 /nfs/dbraw/zinc/41/88/52/436418852.db2.gz DAEAWSUTEXQFNW-SJORKVTESA-N 2 2 317.477 3.094 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000658286431 436419203 /nfs/dbraw/zinc/41/92/03/436419203.db2.gz SVMDWTXUXZYKBK-BZSNNMDCSA-N 2 2 301.478 3.490 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)C1 ZINC000658286431 436419208 /nfs/dbraw/zinc/41/92/08/436419208.db2.gz SVMDWTXUXZYKBK-BZSNNMDCSA-N 2 2 301.478 3.490 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1csc(Cl)c1 ZINC000658294111 436420142 /nfs/dbraw/zinc/42/01/42/436420142.db2.gz GFJYKORVHPHRTB-SMDDNHRTSA-N 2 2 314.882 3.305 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000663510068 436472805 /nfs/dbraw/zinc/47/28/05/436472805.db2.gz ORXNRXXMVNWXPL-OAHLLOKOSA-N 2 2 314.477 3.176 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000663720505 436496539 /nfs/dbraw/zinc/49/65/39/436496539.db2.gz JQXHEABGCPKNLH-OCCSQVGLSA-N 2 2 313.367 3.329 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000663720505 436496542 /nfs/dbraw/zinc/49/65/42/436496542.db2.gz JQXHEABGCPKNLH-OCCSQVGLSA-N 2 2 313.367 3.329 20 0 DGADLP CCN(Cc1cn(C)c[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000659868586 436549890 /nfs/dbraw/zinc/54/98/90/436549890.db2.gz PKCMUOGRQLNKJS-QFBILLFUSA-N 2 2 312.461 3.078 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447398 436550251 /nfs/dbraw/zinc/55/02/51/436550251.db2.gz QZJPPXVIZWWLFF-AUUYWEPGSA-N 2 2 324.428 3.159 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1COC(C)(C)C1 ZINC000659972917 436572894 /nfs/dbraw/zinc/57/28/94/436572894.db2.gz HREPGTCVVMPFGA-QGZVFWFLSA-N 2 2 317.477 3.187 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1COC(C)(C)C1 ZINC000659972917 436572898 /nfs/dbraw/zinc/57/28/98/436572898.db2.gz HREPGTCVVMPFGA-QGZVFWFLSA-N 2 2 317.477 3.187 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655684185 436574879 /nfs/dbraw/zinc/57/48/79/436574879.db2.gz ZKYHXWMHFPOOTC-MOPGFXCFSA-N 2 2 302.462 3.371 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000660307326 436621775 /nfs/dbraw/zinc/62/17/75/436621775.db2.gz WIIACWSIAKRLJP-BEFAXECRSA-N 2 2 313.445 3.237 20 0 DGADLP CCc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000660307326 436621777 /nfs/dbraw/zinc/62/17/77/436621777.db2.gz WIIACWSIAKRLJP-BEFAXECRSA-N 2 2 313.445 3.237 20 0 DGADLP C[N@H+](Cc1cncs1)[C@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000660126546 436593203 /nfs/dbraw/zinc/59/32/03/436593203.db2.gz XFLDGAZRCGGIIX-ZDUSSCGKSA-N 2 2 322.503 3.086 20 0 DGADLP C[N@@H+](Cc1cncs1)[C@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000660126546 436593207 /nfs/dbraw/zinc/59/32/07/436593207.db2.gz XFLDGAZRCGGIIX-ZDUSSCGKSA-N 2 2 322.503 3.086 20 0 DGADLP C[NH+](Cc1cncs1)[C@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000660126546 436593215 /nfs/dbraw/zinc/59/32/15/436593215.db2.gz XFLDGAZRCGGIIX-ZDUSSCGKSA-N 2 2 322.503 3.086 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1Cl ZINC000660195892 436602845 /nfs/dbraw/zinc/60/28/45/436602845.db2.gz CXURCXSPSQRWEZ-YOEHRIQHSA-N 2 2 312.885 3.328 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000660195892 436602847 /nfs/dbraw/zinc/60/28/47/436602847.db2.gz CXURCXSPSQRWEZ-YOEHRIQHSA-N 2 2 312.885 3.328 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1Cl ZINC000660195890 436602945 /nfs/dbraw/zinc/60/29/45/436602945.db2.gz CXURCXSPSQRWEZ-RHSMWYFYSA-N 2 2 312.885 3.328 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000660195890 436602947 /nfs/dbraw/zinc/60/29/47/436602947.db2.gz CXURCXSPSQRWEZ-RHSMWYFYSA-N 2 2 312.885 3.328 20 0 DGADLP Cc1ccsc1C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435422157 302302176 /nfs/dbraw/zinc/30/21/76/302302176.db2.gz NBTYGCRUSRRRGE-AWEZNQCLSA-N 2 2 321.515 3.433 20 0 DGADLP Cc1ccsc1C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435422157 302302178 /nfs/dbraw/zinc/30/21/78/302302178.db2.gz NBTYGCRUSRRRGE-AWEZNQCLSA-N 2 2 321.515 3.433 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000121448500 302387603 /nfs/dbraw/zinc/38/76/03/302387603.db2.gz SVMTZINRBFLCGG-ZDUSSCGKSA-N 2 2 304.438 3.022 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000121448500 302387604 /nfs/dbraw/zinc/38/76/04/302387604.db2.gz SVMTZINRBFLCGG-ZDUSSCGKSA-N 2 2 304.438 3.022 20 0 DGADLP COc1cccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528626736 313046268 /nfs/dbraw/zinc/04/62/68/313046268.db2.gz RDYWFYZJDPEFGY-GOSISDBHSA-N 2 2 313.445 3.407 20 0 DGADLP COc1cccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528626736 313046272 /nfs/dbraw/zinc/04/62/72/313046272.db2.gz RDYWFYZJDPEFGY-GOSISDBHSA-N 2 2 313.445 3.407 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(F)cn3)CC2)cc1 ZINC000529535673 313220549 /nfs/dbraw/zinc/22/05/49/313220549.db2.gz ZFTWYSJJCFTIOU-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529638908 313244752 /nfs/dbraw/zinc/24/47/52/313244752.db2.gz DTERFFPBSVOYGI-LJQANCHMSA-N 2 2 301.478 3.319 20 0 DGADLP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529638908 313244756 /nfs/dbraw/zinc/24/47/56/313244756.db2.gz DTERFFPBSVOYGI-LJQANCHMSA-N 2 2 301.478 3.319 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529638908 313244759 /nfs/dbraw/zinc/24/47/59/313244759.db2.gz DTERFFPBSVOYGI-LJQANCHMSA-N 3 2 301.478 3.319 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529638908 313244763 /nfs/dbraw/zinc/24/47/63/313244763.db2.gz DTERFFPBSVOYGI-LJQANCHMSA-N 3 2 301.478 3.319 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000530244657 313347252 /nfs/dbraw/zinc/34/72/52/313347252.db2.gz MGHPCTWOAKNUEH-GOSISDBHSA-N 2 2 322.456 3.224 20 0 DGADLP COc1ccccc1C[C@H]([NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000531941952 313503239 /nfs/dbraw/zinc/50/32/39/313503239.db2.gz ZBVLLKWCVPEIMJ-SFHVURJKSA-N 2 2 304.478 3.338 20 0 DGADLP c1cn(CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)c[nH+]1 ZINC000533581805 313630802 /nfs/dbraw/zinc/63/08/02/313630802.db2.gz UAEWVVFXPVZYMK-IBGZPJMESA-N 2 2 321.428 3.027 20 0 DGADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000534299902 313659514 /nfs/dbraw/zinc/65/95/14/313659514.db2.gz IVEDRGXOXNUIMA-GOSISDBHSA-N 2 2 311.429 3.142 20 0 DGADLP CS[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000541554381 314022418 /nfs/dbraw/zinc/02/24/18/314022418.db2.gz DDSJVMOSWVATSN-HNNXBMFYSA-N 2 2 307.507 3.418 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000541558675 314022728 /nfs/dbraw/zinc/02/27/28/314022728.db2.gz QYNDESQUDCAUQF-JRBPQWBISA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000541558675 314022733 /nfs/dbraw/zinc/02/27/33/314022733.db2.gz QYNDESQUDCAUQF-JRBPQWBISA-N 2 2 316.489 3.444 20 0 DGADLP CCc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000541889590 314046516 /nfs/dbraw/zinc/04/65/16/314046516.db2.gz SPNQEEPCLFNDTL-WBVHZDCISA-N 2 2 313.445 3.237 20 0 DGADLP CCc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000541889590 314046518 /nfs/dbraw/zinc/04/65/18/314046518.db2.gz SPNQEEPCLFNDTL-WBVHZDCISA-N 2 2 313.445 3.237 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000542163421 314058889 /nfs/dbraw/zinc/05/88/89/314058889.db2.gz MXJUQZNHPSUVBA-CQSZACIVSA-N 2 2 322.880 3.439 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000542163421 314058892 /nfs/dbraw/zinc/05/88/92/314058892.db2.gz MXJUQZNHPSUVBA-CQSZACIVSA-N 2 2 322.880 3.439 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476059 314078219 /nfs/dbraw/zinc/07/82/19/314078219.db2.gz UDVZOTPGLJICNZ-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000542476059 314078224 /nfs/dbraw/zinc/07/82/24/314078224.db2.gz UDVZOTPGLJICNZ-KXBFYZLASA-N 2 2 313.420 3.242 20 0 DGADLP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000543631748 314146368 /nfs/dbraw/zinc/14/63/68/314146368.db2.gz OHWNCCJFBOLWBW-MJGOQNOKSA-N 2 2 308.510 3.247 20 0 DGADLP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000543631748 314146372 /nfs/dbraw/zinc/14/63/72/314146372.db2.gz OHWNCCJFBOLWBW-MJGOQNOKSA-N 2 2 308.510 3.247 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000545276697 314240302 /nfs/dbraw/zinc/24/03/02/314240302.db2.gz YDIHJSDNMDCUMN-CGTJXYLNSA-N 2 2 301.478 3.348 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000545276697 314240306 /nfs/dbraw/zinc/24/03/06/314240306.db2.gz YDIHJSDNMDCUMN-CGTJXYLNSA-N 2 2 301.478 3.348 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000545310330 314243553 /nfs/dbraw/zinc/24/35/53/314243553.db2.gz KDTFLTZHMAIKLY-ZYSHUDEJSA-N 2 2 304.478 3.473 20 0 DGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868478 314271428 /nfs/dbraw/zinc/27/14/28/314271428.db2.gz NSLWTDJXUIWZIP-MJGOQNOKSA-N 2 2 316.445 3.176 20 0 DGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000545868478 314271431 /nfs/dbraw/zinc/27/14/31/314271431.db2.gz NSLWTDJXUIWZIP-MJGOQNOKSA-N 2 2 316.445 3.176 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000547013970 314340752 /nfs/dbraw/zinc/34/07/52/314340752.db2.gz MDFWSXSCOLHWPZ-HOTGVXAUSA-N 2 2 322.468 3.477 20 0 DGADLP Oc1ccc(C2CCC([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000547664739 314384965 /nfs/dbraw/zinc/38/49/65/314384965.db2.gz WBLZMTTZMFBYSK-BDVYOWHSSA-N 2 2 311.429 3.220 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000562515589 315025873 /nfs/dbraw/zinc/02/58/73/315025873.db2.gz BEEQOCIYRZAVKI-ISARSNTHSA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1cnccn1 ZINC000562681906 315043362 /nfs/dbraw/zinc/04/33/62/315043362.db2.gz BSICFVWRBOYMBY-IBGZPJMESA-N 2 2 324.472 3.039 20 0 DGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1cnccn1 ZINC000562681906 315043363 /nfs/dbraw/zinc/04/33/63/315043363.db2.gz BSICFVWRBOYMBY-IBGZPJMESA-N 2 2 324.472 3.039 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1OC ZINC000562854493 315057843 /nfs/dbraw/zinc/05/78/43/315057843.db2.gz XRFJLDBSPLVOSK-HNNXBMFYSA-N 2 2 317.433 3.340 20 0 DGADLP Cc1cc(NC(=O)CC[NH2+]C2CC2)ccc1Oc1cc[nH+]cc1 ZINC000563410932 315112084 /nfs/dbraw/zinc/11/20/84/315112084.db2.gz RQSMYXWLHDGSLJ-UHFFFAOYSA-N 2 2 311.385 3.263 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)C[C@H]1c1ccccc1 ZINC000563948282 315149449 /nfs/dbraw/zinc/14/94/49/315149449.db2.gz MUWZODVZHAJXNM-MJGOQNOKSA-N 2 2 324.472 3.145 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)C[C@H]1c1ccccc1 ZINC000563948282 315149452 /nfs/dbraw/zinc/14/94/52/315149452.db2.gz MUWZODVZHAJXNM-MJGOQNOKSA-N 2 2 324.472 3.145 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000564156151 315159943 /nfs/dbraw/zinc/15/99/43/315159943.db2.gz PCKUZPOLHJVOHD-AWEZNQCLSA-N 2 2 318.490 3.455 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000564156151 315159946 /nfs/dbraw/zinc/15/99/46/315159946.db2.gz PCKUZPOLHJVOHD-AWEZNQCLSA-N 2 2 318.490 3.455 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000564327372 315169795 /nfs/dbraw/zinc/16/97/95/315169795.db2.gz ZSAMHUGEGTWEJK-DYVFJYSZSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000564327372 315169796 /nfs/dbraw/zinc/16/97/96/315169796.db2.gz ZSAMHUGEGTWEJK-DYVFJYSZSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000564327372 315169798 /nfs/dbraw/zinc/16/97/98/315169798.db2.gz ZSAMHUGEGTWEJK-DYVFJYSZSA-N 2 2 306.498 3.027 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000564327372 315169799 /nfs/dbraw/zinc/16/97/99/315169799.db2.gz ZSAMHUGEGTWEJK-DYVFJYSZSA-N 2 2 306.498 3.027 20 0 DGADLP [NH3+]C1(c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)CCCC1 ZINC000564959743 315214408 /nfs/dbraw/zinc/21/44/08/315214408.db2.gz UMWYABNCAXKRFA-YVMONPNESA-N 2 2 321.384 3.154 20 0 DGADLP Clc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000565811222 315289039 /nfs/dbraw/zinc/28/90/39/315289039.db2.gz YDWMRAJCSBTZNV-UHFFFAOYSA-N 2 2 311.216 3.039 20 0 DGADLP CCCCOc1ccc(CC[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000566021061 315305771 /nfs/dbraw/zinc/30/57/71/315305771.db2.gz MBEHEWZODIEGRI-UHFFFAOYSA-N 2 2 301.434 3.240 20 0 DGADLP CS[C@@H]1CN(c2[nH+]ccc3ccc(C)cc32)C[C@H]1[NH+](C)C ZINC000566150042 315317023 /nfs/dbraw/zinc/31/70/23/315317023.db2.gz TZRRQGGCJLPOLO-HZPDHXFCSA-N 2 2 301.459 3.025 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230093 315324684 /nfs/dbraw/zinc/32/46/84/315324684.db2.gz GNEDOXGNGGOYOJ-OXQOHEQNSA-N 3 2 309.457 3.070 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000566230093 315324685 /nfs/dbraw/zinc/32/46/85/315324685.db2.gz GNEDOXGNGGOYOJ-OXQOHEQNSA-N 3 2 309.457 3.070 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418757 315343423 /nfs/dbraw/zinc/34/34/23/315343423.db2.gz LHJVRASUAUCJNP-WCQYABFASA-N 2 2 319.276 3.299 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418757 315343425 /nfs/dbraw/zinc/34/34/25/315343425.db2.gz LHJVRASUAUCJNP-WCQYABFASA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418757 315343427 /nfs/dbraw/zinc/34/34/27/315343427.db2.gz LHJVRASUAUCJNP-WCQYABFASA-N 2 2 319.276 3.299 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000566418757 315343428 /nfs/dbraw/zinc/34/34/28/315343428.db2.gz LHJVRASUAUCJNP-WCQYABFASA-N 2 2 319.276 3.299 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1C ZINC000566499391 315353263 /nfs/dbraw/zinc/35/32/63/315353263.db2.gz SBAOINTZPIWFSB-KDOFPFPSSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1[nH]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1C ZINC000566499391 315353265 /nfs/dbraw/zinc/35/32/65/315353265.db2.gz SBAOINTZPIWFSB-KDOFPFPSSA-N 2 2 312.461 3.169 20 0 DGADLP CCC[N@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000566970309 315387600 /nfs/dbraw/zinc/38/76/00/315387600.db2.gz LLYJAFALOCNCNU-KSZLIROESA-N 2 2 302.462 3.458 20 0 DGADLP CCC[N@@H+](CCc1cc[nH+]cc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000566970309 315387603 /nfs/dbraw/zinc/38/76/03/315387603.db2.gz LLYJAFALOCNCNU-KSZLIROESA-N 2 2 302.462 3.458 20 0 DGADLP CC[NH+](CC)[C@H](CNCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000573935706 315916246 /nfs/dbraw/zinc/91/62/46/315916246.db2.gz NMKFMPLBNBCNJT-QGZVFWFLSA-N 2 2 300.450 3.199 20 0 DGADLP Fc1cccc(-c2cnc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000574920003 316016332 /nfs/dbraw/zinc/01/63/32/316016332.db2.gz URTKKKUIHYRWEE-GOSISDBHSA-N 2 2 315.392 3.056 20 0 DGADLP Fc1cccc(-c2cnc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000574920003 316016334 /nfs/dbraw/zinc/01/63/34/316016334.db2.gz URTKKKUIHYRWEE-GOSISDBHSA-N 2 2 315.392 3.056 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)c1 ZINC000575134231 316037064 /nfs/dbraw/zinc/03/70/64/316037064.db2.gz QKGVIFHEYLAPBF-TZMCWYRMSA-N 2 2 317.458 3.130 20 0 DGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)c1 ZINC000575134231 316037068 /nfs/dbraw/zinc/03/70/68/316037068.db2.gz QKGVIFHEYLAPBF-TZMCWYRMSA-N 2 2 317.458 3.130 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165466 316101285 /nfs/dbraw/zinc/10/12/85/316101285.db2.gz GRAJGBUJWCVLHJ-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165466 316101288 /nfs/dbraw/zinc/10/12/88/316101288.db2.gz GRAJGBUJWCVLHJ-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165466 316101292 /nfs/dbraw/zinc/10/12/92/316101292.db2.gz GRAJGBUJWCVLHJ-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000576165466 316101295 /nfs/dbraw/zinc/10/12/95/316101295.db2.gz GRAJGBUJWCVLHJ-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594365 316146877 /nfs/dbraw/zinc/14/68/77/316146877.db2.gz UKENWAUIRJKZTJ-KOLCDFICSA-N 2 2 304.768 3.253 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000576594365 316146879 /nfs/dbraw/zinc/14/68/79/316146879.db2.gz UKENWAUIRJKZTJ-KOLCDFICSA-N 2 2 304.768 3.253 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000577729717 316264801 /nfs/dbraw/zinc/26/48/01/316264801.db2.gz YMLSKZZSHROQBV-DYVFJYSZSA-N 2 2 308.853 3.071 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000577729719 316265024 /nfs/dbraw/zinc/26/50/24/316265024.db2.gz YMLSKZZSHROQBV-SUMWQHHRSA-N 2 2 308.853 3.071 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3c2cccc3Br)n1C ZINC000577963975 316289856 /nfs/dbraw/zinc/28/98/56/316289856.db2.gz VAQLZEMUILNUIK-HNNXBMFYSA-N 2 2 320.234 3.268 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C12CCCC2 ZINC000181457062 323254592 /nfs/dbraw/zinc/25/45/92/323254592.db2.gz GCYHWWOJRNVPHQ-IRXDYDNUSA-N 2 2 313.445 3.204 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[NH+](C)C)cc1 ZINC000181623927 323261456 /nfs/dbraw/zinc/26/14/56/323261456.db2.gz OKJKYCQKQLAFFP-OKYOBFRVSA-N 2 2 316.489 3.391 20 0 DGADLP CC1CCC([N@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)CC1 ZINC000182799016 323313020 /nfs/dbraw/zinc/31/30/20/323313020.db2.gz WFMKNLWUHSMMLI-DAWZGUTISA-N 2 2 305.466 3.333 20 0 DGADLP CC1CCC([N@@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)CC1 ZINC000182799016 323313023 /nfs/dbraw/zinc/31/30/23/323313023.db2.gz WFMKNLWUHSMMLI-DAWZGUTISA-N 2 2 305.466 3.333 20 0 DGADLP [NH3+]CCCN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000183221108 323330304 /nfs/dbraw/zinc/33/03/04/323330304.db2.gz AKVAHJSTFVEGCF-UHFFFAOYSA-N 2 2 324.403 3.367 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@@H](c1[nH+]ccn1C)C1CC1)CC(C)C ZINC000183243269 323330519 /nfs/dbraw/zinc/33/05/19/323330519.db2.gz GGFGQVTVLXQINE-IAGOWNOFSA-N 2 2 306.498 3.217 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]CC[C@@H]2CCOC2)c[nH+]1 ZINC000579041232 323814746 /nfs/dbraw/zinc/81/47/46/323814746.db2.gz IZPNJQCNLFCOHG-AYOQOUSVSA-N 2 2 311.429 3.128 20 0 DGADLP CCOC(=O)CCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000579938297 323936405 /nfs/dbraw/zinc/93/64/05/323936405.db2.gz LDUBGOPNSJIMEI-UHFFFAOYSA-N 2 2 319.449 3.081 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000580614799 324018648 /nfs/dbraw/zinc/01/86/48/324018648.db2.gz DWMAUVVRGDHODV-VQIMIIECSA-N 2 2 302.462 3.323 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000580614799 324018651 /nfs/dbraw/zinc/01/86/51/324018651.db2.gz DWMAUVVRGDHODV-VQIMIIECSA-N 2 2 302.462 3.323 20 0 DGADLP C[C@@H](CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963435 324059090 /nfs/dbraw/zinc/05/90/90/324059090.db2.gz RIJUDFDELHUFPI-AZUAARDMSA-N 2 2 316.489 3.367 20 0 DGADLP C[C@@H](CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963435 324059093 /nfs/dbraw/zinc/05/90/93/324059093.db2.gz RIJUDFDELHUFPI-AZUAARDMSA-N 2 2 316.489 3.367 20 0 DGADLP c1cn(Cc2ccccc2)c(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)[nH+]1 ZINC000581072284 324070956 /nfs/dbraw/zinc/07/09/56/324070956.db2.gz WCWIWYYZGBIMQZ-RTBURBONSA-N 2 2 324.472 3.038 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000581243554 324094447 /nfs/dbraw/zinc/09/44/47/324094447.db2.gz MBVBIOLVLMRRJV-ROUUACIJSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000581243554 324094452 /nfs/dbraw/zinc/09/44/52/324094452.db2.gz MBVBIOLVLMRRJV-ROUUACIJSA-N 2 2 311.429 3.047 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000581409492 324114437 /nfs/dbraw/zinc/11/44/37/324114437.db2.gz UTQZOGPUFCVYFD-PKOBYXMFSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000581409492 324114440 /nfs/dbraw/zinc/11/44/40/324114440.db2.gz UTQZOGPUFCVYFD-PKOBYXMFSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)[nH]1 ZINC000581601929 324134935 /nfs/dbraw/zinc/13/49/35/324134935.db2.gz AKJMBGGOKJGTHJ-NUEKZKHPSA-N 2 2 313.449 3.072 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828880 324157988 /nfs/dbraw/zinc/15/79/88/324157988.db2.gz UVFZNEIZNSKSEB-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828880 324157990 /nfs/dbraw/zinc/15/79/90/324157990.db2.gz UVFZNEIZNSKSEB-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000581828880 324157993 /nfs/dbraw/zinc/15/79/93/324157993.db2.gz UVFZNEIZNSKSEB-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000581828880 324157994 /nfs/dbraw/zinc/15/79/94/324157994.db2.gz UVFZNEIZNSKSEB-KXBFYZLASA-N 2 2 318.436 3.283 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041641 324181495 /nfs/dbraw/zinc/18/14/95/324181495.db2.gz QXTUKURGNXNKEW-CRAIPNDOSA-N 2 2 308.441 3.225 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000582041641 324181498 /nfs/dbraw/zinc/18/14/98/324181498.db2.gz QXTUKURGNXNKEW-CRAIPNDOSA-N 2 2 308.441 3.225 20 0 DGADLP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000582453695 324231177 /nfs/dbraw/zinc/23/11/77/324231177.db2.gz WWGMBNUMWVICTI-MSOLQXFVSA-N 2 2 318.461 3.424 20 0 DGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)nc2c1 ZINC000582534013 324241789 /nfs/dbraw/zinc/24/17/89/324241789.db2.gz CZPMQSFINMOGPD-SJLPKXTDSA-N 2 2 320.440 3.454 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)[nH]c2c1 ZINC000582534013 324241791 /nfs/dbraw/zinc/24/17/91/324241791.db2.gz CZPMQSFINMOGPD-SJLPKXTDSA-N 2 2 320.440 3.454 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)c2C1 ZINC000582549564 324244921 /nfs/dbraw/zinc/24/49/21/324244921.db2.gz FZYLZBGXNDTYOX-CQSZACIVSA-N 2 2 312.417 3.199 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)c2C1 ZINC000582549564 324244924 /nfs/dbraw/zinc/24/49/24/324244924.db2.gz FZYLZBGXNDTYOX-CQSZACIVSA-N 2 2 312.417 3.199 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587906 324249514 /nfs/dbraw/zinc/24/95/14/324249514.db2.gz GPCJMDFMTNXWBL-SWLSCSKDSA-N 2 2 310.388 3.110 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587906 324249519 /nfs/dbraw/zinc/24/95/19/324249519.db2.gz GPCJMDFMTNXWBL-SWLSCSKDSA-N 2 2 310.388 3.110 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000583211912 324327305 /nfs/dbraw/zinc/32/73/05/324327305.db2.gz HEXRXWRCATVZEJ-WPRPVWTQSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000583211912 324327306 /nfs/dbraw/zinc/32/73/06/324327306.db2.gz HEXRXWRCATVZEJ-WPRPVWTQSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ccc1-c1ccccc1 ZINC000583377351 324345390 /nfs/dbraw/zinc/34/53/90/324345390.db2.gz RHZKMFBKLZOHNK-FQEVSTJZSA-N 2 2 324.468 3.207 20 0 DGADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ccc1-c1ccccc1 ZINC000583377351 324345395 /nfs/dbraw/zinc/34/53/95/324345395.db2.gz RHZKMFBKLZOHNK-FQEVSTJZSA-N 2 2 324.468 3.207 20 0 DGADLP c1cn(Cc2ccc(NCc3csc(C4CC4)n3)[nH+]c2)c[nH+]1 ZINC000583396701 324348965 /nfs/dbraw/zinc/34/89/65/324348965.db2.gz CVDHLQOZTOSHBM-UHFFFAOYSA-N 2 2 311.414 3.272 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000584588095 337369944 /nfs/dbraw/zinc/36/99/44/337369944.db2.gz PNHBTHVOZCIHEM-QGZVFWFLSA-N 2 2 304.821 3.299 20 0 DGADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1Br ZINC000423359051 533865506 /nfs/dbraw/zinc/86/55/06/533865506.db2.gz JYQFVKVHLUPLEO-CMPLNLGQSA-N 2 2 315.230 3.381 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)oc1C ZINC000432829029 533925120 /nfs/dbraw/zinc/92/51/20/533925120.db2.gz LSMFNAGYWPQBQB-HIFRSBDPSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)oc1C ZINC000432829029 533925127 /nfs/dbraw/zinc/92/51/27/533925127.db2.gz LSMFNAGYWPQBQB-HIFRSBDPSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)oc1C ZINC000432829029 533925132 /nfs/dbraw/zinc/92/51/32/533925132.db2.gz LSMFNAGYWPQBQB-HIFRSBDPSA-N 2 2 322.449 3.242 20 0 DGADLP COC(=O)c1cc([C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)oc1C ZINC000432829029 533925137 /nfs/dbraw/zinc/92/51/37/533925137.db2.gz LSMFNAGYWPQBQB-HIFRSBDPSA-N 2 2 322.449 3.242 20 0 DGADLP C[C@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000430954682 533960709 /nfs/dbraw/zinc/96/07/09/533960709.db2.gz KEFQHFJOSMKNFF-YOEHRIQHSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000430954682 533960718 /nfs/dbraw/zinc/96/07/18/533960718.db2.gz KEFQHFJOSMKNFF-YOEHRIQHSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758606 534081789 /nfs/dbraw/zinc/08/17/89/534081789.db2.gz PDYSKWKUDHSPOL-HOCLYGCPSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(CCc2ccccc2)n1 ZINC000442758606 534081797 /nfs/dbraw/zinc/08/17/97/534081797.db2.gz PDYSKWKUDHSPOL-HOCLYGCPSA-N 2 2 315.486 3.097 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430624299 534132468 /nfs/dbraw/zinc/13/24/68/534132468.db2.gz OWCFYQAZCAKWDV-RYUDHWBXSA-N 2 2 320.824 3.122 20 0 DGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430624299 534132482 /nfs/dbraw/zinc/13/24/82/534132482.db2.gz OWCFYQAZCAKWDV-RYUDHWBXSA-N 2 2 320.824 3.122 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)s2)cc1 ZINC000415051569 534218118 /nfs/dbraw/zinc/21/81/18/534218118.db2.gz ZXUBNJXLLNEMKY-OAHLLOKOSA-N 2 2 301.459 3.349 20 0 DGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1Cl ZINC000295885419 534263752 /nfs/dbraw/zinc/26/37/52/534263752.db2.gz DFSRXWDXBFSDPU-CQSZACIVSA-N 2 2 324.852 3.043 20 0 DGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1Cl ZINC000295885419 534263756 /nfs/dbraw/zinc/26/37/56/534263756.db2.gz DFSRXWDXBFSDPU-CQSZACIVSA-N 2 2 324.852 3.043 20 0 DGADLP Cc1ccn2c(CN3C[C@H](C)[NH2+]Cc4ccccc43)c[nH+]c2c1 ZINC000415110094 534345867 /nfs/dbraw/zinc/34/58/67/534345867.db2.gz YWYGUHUGSHLOOO-HNNXBMFYSA-N 2 2 306.413 3.141 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)s1 ZINC000443603964 534366926 /nfs/dbraw/zinc/36/69/26/534366926.db2.gz MYLIJODKIZAERP-OAHLLOKOSA-N 2 2 316.474 3.397 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)s1 ZINC000443603964 534366930 /nfs/dbraw/zinc/36/69/30/534366930.db2.gz MYLIJODKIZAERP-OAHLLOKOSA-N 2 2 316.474 3.397 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1Cl ZINC000415061198 534439871 /nfs/dbraw/zinc/43/98/71/534439871.db2.gz ZNDMKAXRKQEYQL-WMLDXEAASA-N 2 2 304.796 3.324 20 0 DGADLP c1ccc(COCc2ccccc2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415084093 534489191 /nfs/dbraw/zinc/48/91/91/534489191.db2.gz QYPNLQBYRAAREQ-FQEVSTJZSA-N 2 2 310.441 3.245 20 0 DGADLP c1ccc(COCc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000415089131 534490130 /nfs/dbraw/zinc/49/01/30/534490130.db2.gz MUQDPYLTXWIMIE-HXUWFJFHSA-N 2 2 310.441 3.245 20 0 DGADLP c1coc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cs2)c1 ZINC000415077532 534513025 /nfs/dbraw/zinc/51/30/25/534513025.db2.gz FJWDRHDUQDBRKV-RRFJBIMHSA-N 2 2 317.458 3.413 20 0 DGADLP c1coc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415033704 534514413 /nfs/dbraw/zinc/51/44/13/534514413.db2.gz BWDKXMXFJBMGPM-ZFWWWQNUSA-N 2 2 317.458 3.367 20 0 DGADLP c1coc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000415033704 534514417 /nfs/dbraw/zinc/51/44/17/534514417.db2.gz BWDKXMXFJBMGPM-ZFWWWQNUSA-N 2 2 317.458 3.367 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3ccc4[nH]ccc4c3)n2c1 ZINC000441220732 534518847 /nfs/dbraw/zinc/51/88/47/534518847.db2.gz UQLQCWCWYJTIJY-UHFFFAOYSA-N 2 2 304.397 3.456 20 0 DGADLP c1csc(C[N@H+](Cc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435433175 534519305 /nfs/dbraw/zinc/51/93/05/534519305.db2.gz QPTATWXVTYTRCK-MRXNPFEDSA-N 2 2 313.470 3.287 20 0 DGADLP c1csc(C[N@@H+](Cc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435433175 534519306 /nfs/dbraw/zinc/51/93/06/534519306.db2.gz QPTATWXVTYTRCK-MRXNPFEDSA-N 2 2 313.470 3.287 20 0 DGADLP c1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000309943290 534520809 /nfs/dbraw/zinc/52/08/09/534520809.db2.gz BYVCWTOUBQIUCC-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000309943290 534520819 /nfs/dbraw/zinc/52/08/19/534520819.db2.gz BYVCWTOUBQIUCC-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000309943290 534520826 /nfs/dbraw/zinc/52/08/26/534520826.db2.gz BYVCWTOUBQIUCC-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000309943290 534520833 /nfs/dbraw/zinc/52/08/33/534520833.db2.gz BYVCWTOUBQIUCC-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc4c(c3)CCC4)cs2)CC1 ZINC000434658685 534567055 /nfs/dbraw/zinc/56/70/55/534567055.db2.gz HJBADVUYZXFKBU-UHFFFAOYSA-N 2 2 313.470 3.222 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)on2)cc1 ZINC000428029421 534632493 /nfs/dbraw/zinc/63/24/93/534632493.db2.gz ANTLBFCBSDINLA-CJNGLKHVSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)on2)cc1 ZINC000428029421 534632496 /nfs/dbraw/zinc/63/24/96/534632496.db2.gz ANTLBFCBSDINLA-CJNGLKHVSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000294659188 534642060 /nfs/dbraw/zinc/64/20/60/534642060.db2.gz AHKUHBFJQGILMZ-ZDUSSCGKSA-N 2 2 303.793 3.308 20 0 DGADLP Cc1cccn2c(CN3CC[NH2+]Cc4c(C)cccc43)c[nH+]c12 ZINC000415110490 534841283 /nfs/dbraw/zinc/84/12/83/534841283.db2.gz ZIWJIBVUMWYINJ-UHFFFAOYSA-N 2 2 306.413 3.061 20 0 DGADLP Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156365960 526311927 /nfs/dbraw/zinc/31/19/27/526311927.db2.gz VOQRNQHEZLQYFE-GOSISDBHSA-N 2 2 323.371 3.422 20 0 DGADLP Fc1cc2cccnc2c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156365960 526311931 /nfs/dbraw/zinc/31/19/31/526311931.db2.gz VOQRNQHEZLQYFE-GOSISDBHSA-N 2 2 323.371 3.422 20 0 DGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000428283362 527420487 /nfs/dbraw/zinc/42/04/87/527420487.db2.gz AISXORJKSMGFMW-RBUKOAKNSA-N 2 2 308.510 3.413 20 0 DGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000428283362 527420493 /nfs/dbraw/zinc/42/04/93/527420493.db2.gz AISXORJKSMGFMW-RBUKOAKNSA-N 2 2 308.510 3.413 20 0 DGADLP CCC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000309784659 527752657 /nfs/dbraw/zinc/75/26/57/527752657.db2.gz MIJIOSNNYXGTLT-LJQANCHMSA-N 2 2 316.489 3.447 20 0 DGADLP CCC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000309784659 527752666 /nfs/dbraw/zinc/75/26/66/527752666.db2.gz MIJIOSNNYXGTLT-LJQANCHMSA-N 2 2 316.489 3.447 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159289863 527814030 /nfs/dbraw/zinc/81/40/30/527814030.db2.gz FSDDWZQAADHGBI-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2Br)C1 ZINC000159289863 527814032 /nfs/dbraw/zinc/81/40/32/527814032.db2.gz FSDDWZQAADHGBI-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)c2ccccc21 ZINC000447543998 527871462 /nfs/dbraw/zinc/87/14/62/527871462.db2.gz SNOPNIWHSDPJPA-NSISKUIASA-N 2 2 316.489 3.429 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1cc2ccccc2o1 ZINC000292890366 527899387 /nfs/dbraw/zinc/89/93/87/527899387.db2.gz VAPJAVHQLMWUMS-IXDOHACOSA-N 2 2 314.429 3.025 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1cc2ccccc2o1 ZINC000292890366 527899393 /nfs/dbraw/zinc/89/93/93/527899393.db2.gz VAPJAVHQLMWUMS-IXDOHACOSA-N 2 2 314.429 3.025 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cc2ccccc2o1 ZINC000292890366 527899400 /nfs/dbraw/zinc/89/94/00/527899400.db2.gz VAPJAVHQLMWUMS-IXDOHACOSA-N 2 2 314.429 3.025 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1cc2ccccc2o1 ZINC000292890366 527899407 /nfs/dbraw/zinc/89/94/07/527899407.db2.gz VAPJAVHQLMWUMS-IXDOHACOSA-N 2 2 314.429 3.025 20 0 DGADLP CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631065 527925729 /nfs/dbraw/zinc/92/57/29/527925729.db2.gz ZRPCPDFNQILSQN-GOSISDBHSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631065 527925735 /nfs/dbraw/zinc/92/57/35/527925735.db2.gz ZRPCPDFNQILSQN-GOSISDBHSA-N 2 2 317.477 3.213 20 0 DGADLP CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616934 527925869 /nfs/dbraw/zinc/92/58/69/527925869.db2.gz UUOVJZHIUYSXKC-CQSZACIVSA-N 2 2 323.868 3.051 20 0 DGADLP CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616934 527925874 /nfs/dbraw/zinc/92/58/74/527925874.db2.gz UUOVJZHIUYSXKC-CQSZACIVSA-N 2 2 323.868 3.051 20 0 DGADLP CCC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000430957504 528132030 /nfs/dbraw/zinc/13/20/30/528132030.db2.gz OVZWBBGFPTUCES-LJQANCHMSA-N 2 2 312.461 3.063 20 0 DGADLP CCC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000430957504 528132037 /nfs/dbraw/zinc/13/20/37/528132037.db2.gz OVZWBBGFPTUCES-LJQANCHMSA-N 2 2 312.461 3.063 20 0 DGADLP CCC[N@H+](Cc1nc2cc(F)ccc2n1CC)C1CC[NH2+]CC1 ZINC000431097212 528155577 /nfs/dbraw/zinc/15/55/77/528155577.db2.gz CWMNYOZGZSDJCW-UHFFFAOYSA-N 2 2 318.440 3.159 20 0 DGADLP CCC[N@@H+](Cc1nc2cc(F)ccc2n1CC)C1CC[NH2+]CC1 ZINC000431097212 528155585 /nfs/dbraw/zinc/15/55/85/528155585.db2.gz CWMNYOZGZSDJCW-UHFFFAOYSA-N 2 2 318.440 3.159 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430123862 528179134 /nfs/dbraw/zinc/17/91/34/528179134.db2.gz MRDBFFDHBIGEOK-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430123862 528179136 /nfs/dbraw/zinc/17/91/36/528179136.db2.gz MRDBFFDHBIGEOK-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430123862 528179141 /nfs/dbraw/zinc/17/91/41/528179141.db2.gz MRDBFFDHBIGEOK-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430123862 528179144 /nfs/dbraw/zinc/17/91/44/528179144.db2.gz MRDBFFDHBIGEOK-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000316595080 528193515 /nfs/dbraw/zinc/19/35/15/528193515.db2.gz GIHCFUACURLRCF-MRXNPFEDSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000316595080 528193522 /nfs/dbraw/zinc/19/35/22/528193522.db2.gz GIHCFUACURLRCF-MRXNPFEDSA-N 2 2 305.466 3.054 20 0 DGADLP CCC[N@@H+]1CC[C@@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000301976402 528254891 /nfs/dbraw/zinc/25/48/91/528254891.db2.gz WEOQECYTNNLJFN-AWEZNQCLSA-N 2 2 314.433 3.091 20 0 DGADLP CCC[N@H+]1CC[C@@H](CNc2nc(C)[nH+]c3ccc(OC)cc32)C1 ZINC000301976402 528254895 /nfs/dbraw/zinc/25/48/95/528254895.db2.gz WEOQECYTNNLJFN-AWEZNQCLSA-N 2 2 314.433 3.091 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079112 528265742 /nfs/dbraw/zinc/26/57/42/528265742.db2.gz AWWMQTHUHBVZRS-ZIAGYGMSSA-N 2 2 304.482 3.214 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000434079112 528265745 /nfs/dbraw/zinc/26/57/45/528265745.db2.gz AWWMQTHUHBVZRS-ZIAGYGMSSA-N 2 2 304.482 3.214 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078010 528266058 /nfs/dbraw/zinc/26/60/58/528266058.db2.gz AINZGAIHWWQDII-HUUCEWRRSA-N 2 2 316.493 3.358 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078010 528266063 /nfs/dbraw/zinc/26/60/63/528266063.db2.gz AINZGAIHWWQDII-HUUCEWRRSA-N 2 2 316.493 3.358 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000422741440 528280649 /nfs/dbraw/zinc/28/06/49/528280649.db2.gz DPKPGQTUQSFYAI-RVKKMQEKSA-N 2 2 323.912 3.311 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423370426 528423587 /nfs/dbraw/zinc/42/35/87/528423587.db2.gz DGDLLNPLCPDYNJ-VXGBXAGGSA-N 2 2 304.356 3.276 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415085002 528461774 /nfs/dbraw/zinc/46/17/74/528461774.db2.gz POSDKAPSHDTDIX-UXHICEINSA-N 3 2 315.505 3.334 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415085004 528463140 /nfs/dbraw/zinc/46/31/40/528463140.db2.gz POSDKAPSHDTDIX-WOJBJXKFSA-N 3 2 315.505 3.334 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000316906510 528508526 /nfs/dbraw/zinc/50/85/26/528508526.db2.gz AFCZTZBMPDBWAQ-INIZCTEOSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000316906510 528508532 /nfs/dbraw/zinc/50/85/32/528508532.db2.gz AFCZTZBMPDBWAQ-INIZCTEOSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000430576214 528509898 /nfs/dbraw/zinc/50/98/98/528509898.db2.gz RYNSDPYJJAYWFA-HNNXBMFYSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000430576214 528509902 /nfs/dbraw/zinc/50/99/02/528509902.db2.gz RYNSDPYJJAYWFA-HNNXBMFYSA-N 2 2 305.397 3.286 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000428247339 528720351 /nfs/dbraw/zinc/72/03/51/528720351.db2.gz NFDNDOLWHKTGTA-INIZCTEOSA-N 2 2 305.466 3.386 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000428247339 528720353 /nfs/dbraw/zinc/72/03/53/528720353.db2.gz NFDNDOLWHKTGTA-INIZCTEOSA-N 2 2 305.466 3.386 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000317140418 528826811 /nfs/dbraw/zinc/82/68/11/528826811.db2.gz FFWZNFIZZUGSRV-CABCVRRESA-N 2 2 300.450 3.019 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000317140418 528826813 /nfs/dbraw/zinc/82/68/13/528826813.db2.gz FFWZNFIZZUGSRV-CABCVRRESA-N 2 2 300.450 3.019 20 0 DGADLP CC[N@H+](Cc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435613128 528887452 /nfs/dbraw/zinc/88/74/52/528887452.db2.gz IZJILUVJCLADHC-CQSZACIVSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435613128 528887459 /nfs/dbraw/zinc/88/74/59/528887459.db2.gz IZJILUVJCLADHC-CQSZACIVSA-N 2 2 317.408 3.445 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442852211 528937993 /nfs/dbraw/zinc/93/79/93/528937993.db2.gz FXNAECFKVKFKTH-HNNXBMFYSA-N 2 2 311.473 3.347 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442852211 528937995 /nfs/dbraw/zinc/93/79/95/528937995.db2.gz FXNAECFKVKFKTH-HNNXBMFYSA-N 2 2 311.473 3.347 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432349880 529171798 /nfs/dbraw/zinc/17/17/98/529171798.db2.gz XNCFNSFXCCMUGN-OAHLLOKOSA-N 2 2 324.896 3.493 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432349880 529171800 /nfs/dbraw/zinc/17/18/00/529171800.db2.gz XNCFNSFXCCMUGN-OAHLLOKOSA-N 2 2 324.896 3.493 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000493763136 535152433 /nfs/dbraw/zinc/15/24/33/535152433.db2.gz DIBZTBYWYJKCCV-ZIAGYGMSSA-N 2 2 314.433 3.272 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486972212 535191834 /nfs/dbraw/zinc/19/18/34/535191834.db2.gz TWOMWHPSCLWTQV-VQIMIIECSA-N 2 2 318.530 3.412 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486972212 535191843 /nfs/dbraw/zinc/19/18/43/535191843.db2.gz TWOMWHPSCLWTQV-VQIMIIECSA-N 2 2 318.530 3.412 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000469321166 535769063 /nfs/dbraw/zinc/76/90/63/535769063.db2.gz XBOUTADHAPWNIO-TVFCKZIOSA-N 3 2 309.542 3.063 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000469321166 535769065 /nfs/dbraw/zinc/76/90/65/535769065.db2.gz XBOUTADHAPWNIO-TVFCKZIOSA-N 3 2 309.542 3.063 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000090188811 545824308 /nfs/dbraw/zinc/82/43/08/545824308.db2.gz JXSFFSMKQAHPSY-MJGOQNOKSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000090188811 545824314 /nfs/dbraw/zinc/82/43/14/545824314.db2.gz JXSFFSMKQAHPSY-MJGOQNOKSA-N 2 2 302.462 3.198 20 0 DGADLP COCCC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090191991 545825311 /nfs/dbraw/zinc/82/53/11/545825311.db2.gz FWQMYDKTKRTYNM-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP COCCC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090191991 545825316 /nfs/dbraw/zinc/82/53/16/545825316.db2.gz FWQMYDKTKRTYNM-SFHVURJKSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)OC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000090772036 545830768 /nfs/dbraw/zinc/83/07/68/545830768.db2.gz QCQGMZAICROWGT-UHFFFAOYSA-N 2 2 317.477 3.376 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000123796469 545907666 /nfs/dbraw/zinc/90/76/66/545907666.db2.gz LKOCWKXYZGPERM-HNNXBMFYSA-N 2 2 301.409 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000123796469 545907675 /nfs/dbraw/zinc/90/76/75/545907675.db2.gz LKOCWKXYZGPERM-HNNXBMFYSA-N 2 2 301.409 3.056 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000155524581 546029288 /nfs/dbraw/zinc/02/92/88/546029288.db2.gz IAFAHBSRNQCHLA-FUHWJXTLSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000155524581 546029292 /nfs/dbraw/zinc/02/92/92/546029292.db2.gz IAFAHBSRNQCHLA-FUHWJXTLSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157717824 546041944 /nfs/dbraw/zinc/04/19/44/546041944.db2.gz UCAINBPOGUAZQZ-BEFAXECRSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157717824 546041951 /nfs/dbraw/zinc/04/19/51/546041951.db2.gz UCAINBPOGUAZQZ-BEFAXECRSA-N 3 2 324.472 3.316 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000157717824 546041957 /nfs/dbraw/zinc/04/19/57/546041957.db2.gz UCAINBPOGUAZQZ-BEFAXECRSA-N 2 2 324.472 3.316 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157786544 546043684 /nfs/dbraw/zinc/04/36/84/546043684.db2.gz ALNLOPDUGWGNOJ-QFBILLFUSA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157786544 546043686 /nfs/dbraw/zinc/04/36/86/546043686.db2.gz ALNLOPDUGWGNOJ-QFBILLFUSA-N 2 2 300.446 3.147 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000163634634 546083652 /nfs/dbraw/zinc/08/36/52/546083652.db2.gz OXQYMFPBLICPPQ-LIRRHRJNSA-N 2 2 320.452 3.150 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 ZINC000163634380 546083774 /nfs/dbraw/zinc/08/37/74/546083774.db2.gz OXQYMFPBLICPPQ-IFXJQAMLSA-N 2 2 320.452 3.150 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179484498 546135575 /nfs/dbraw/zinc/13/55/75/546135575.db2.gz CALZWBORXCSQPJ-AUUYWEPGSA-N 2 2 321.428 3.218 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179484498 546135580 /nfs/dbraw/zinc/13/55/80/546135580.db2.gz CALZWBORXCSQPJ-AUUYWEPGSA-N 2 2 321.428 3.218 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cn[nH]c1C ZINC000180023763 546140917 /nfs/dbraw/zinc/14/09/17/546140917.db2.gz DMHYSERSYPMJFN-CQSZACIVSA-N 2 2 300.450 3.411 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1[NH3+] ZINC000251526230 546329406 /nfs/dbraw/zinc/32/94/06/546329406.db2.gz ADXNHTPVSVQWKU-BXUZGUMPSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1[NH3+] ZINC000251526230 546329416 /nfs/dbraw/zinc/32/94/16/546329416.db2.gz ADXNHTPVSVQWKU-BXUZGUMPSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@H+](Cc2csc(Br)c2)CC[C@H]1[NH3+] ZINC000251655910 546330019 /nfs/dbraw/zinc/33/00/19/546330019.db2.gz GSECWGZSZRGULQ-WDEREUQCSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2csc(Br)c2)CC[C@H]1[NH3+] ZINC000251655910 546330022 /nfs/dbraw/zinc/33/00/22/546330022.db2.gz GSECWGZSZRGULQ-WDEREUQCSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccnn1-c1ccccc1 ZINC000281342171 546386411 /nfs/dbraw/zinc/38/64/11/546386411.db2.gz UQPYBARJLIAZSW-OAHLLOKOSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ncc[nH]1 ZINC000286080351 546400881 /nfs/dbraw/zinc/40/08/81/546400881.db2.gz MIIXMCTZWKSKIA-MIGBEJBISA-N 2 2 310.445 3.256 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ncc[nH]1 ZINC000286080351 546400884 /nfs/dbraw/zinc/40/08/84/546400884.db2.gz MIIXMCTZWKSKIA-MIGBEJBISA-N 2 2 310.445 3.256 20 0 DGADLP CCc1cc(NCc2cc(C)[nH+]c(N3CCCC3)c2)nc(C)[nH+]1 ZINC000291094093 546417427 /nfs/dbraw/zinc/41/74/27/546417427.db2.gz JSMVKAJHMASVDF-UHFFFAOYSA-N 2 2 311.433 3.263 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309898491 546451677 /nfs/dbraw/zinc/45/16/77/546451677.db2.gz OFNNFDBAVLWAAJ-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309898491 546451681 /nfs/dbraw/zinc/45/16/81/546451681.db2.gz OFNNFDBAVLWAAJ-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000312592656 546453194 /nfs/dbraw/zinc/45/31/94/546453194.db2.gz RAFZXQOLTKSCGV-WCQYABFASA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000312592656 546453197 /nfs/dbraw/zinc/45/31/97/546453197.db2.gz RAFZXQOLTKSCGV-WCQYABFASA-N 2 2 319.276 3.345 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319672387 546465266 /nfs/dbraw/zinc/46/52/66/546465266.db2.gz HLTPDNDEVMXWPF-IVDHNXQLSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319672387 546465270 /nfs/dbraw/zinc/46/52/70/546465270.db2.gz HLTPDNDEVMXWPF-IVDHNXQLSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319672387 546465275 /nfs/dbraw/zinc/46/52/75/546465275.db2.gz HLTPDNDEVMXWPF-IVDHNXQLSA-N 2 2 322.537 3.370 20 0 DGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319672387 546465283 /nfs/dbraw/zinc/46/52/83/546465283.db2.gz HLTPDNDEVMXWPF-IVDHNXQLSA-N 2 2 322.537 3.370 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357239926 546698386 /nfs/dbraw/zinc/69/83/86/546698386.db2.gz UGRNTFBLUSBXSB-CMKODMSKSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357239926 546698390 /nfs/dbraw/zinc/69/83/90/546698390.db2.gz UGRNTFBLUSBXSB-CMKODMSKSA-N 3 2 317.521 3.217 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000391406466 546757971 /nfs/dbraw/zinc/75/79/71/546757971.db2.gz WPLRUIHNYYXZNG-HNNXBMFYSA-N 2 2 307.397 3.215 20 0 DGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)CC2 ZINC000419685708 546804762 /nfs/dbraw/zinc/80/47/62/546804762.db2.gz NIKVKPDQNDTQFP-GOSISDBHSA-N 2 2 312.461 3.387 20 0 DGADLP Fc1cccc2c1SCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856406 546811957 /nfs/dbraw/zinc/81/19/57/546811957.db2.gz WCZLCBNAQVMVOW-SMDDNHRTSA-N 2 2 303.406 3.164 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2scnc2C2CC2)c[nH+]1 ZINC000486936184 546914895 /nfs/dbraw/zinc/91/48/95/546914895.db2.gz MPUGONLUXULXLZ-UHFFFAOYSA-N 2 2 310.426 3.496 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288786 547079802 /nfs/dbraw/zinc/07/98/02/547079802.db2.gz ZOIOKKCWJJLEOK-YJBOKZPZSA-N 3 2 312.461 3.316 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288786 547079809 /nfs/dbraw/zinc/07/98/09/547079809.db2.gz ZOIOKKCWJJLEOK-YJBOKZPZSA-N 3 2 312.461 3.316 20 0 DGADLP CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000658288786 547079814 /nfs/dbraw/zinc/07/98/14/547079814.db2.gz ZOIOKKCWJJLEOK-YJBOKZPZSA-N 2 2 312.461 3.316 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000667560773 547226557 /nfs/dbraw/zinc/22/65/57/547226557.db2.gz BYMYUJQCPDKZHY-QZTJIDSGSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000667560773 547226559 /nfs/dbraw/zinc/22/65/59/547226559.db2.gz BYMYUJQCPDKZHY-QZTJIDSGSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000667560773 547226562 /nfs/dbraw/zinc/22/65/62/547226562.db2.gz BYMYUJQCPDKZHY-QZTJIDSGSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000667560773 547226565 /nfs/dbraw/zinc/22/65/65/547226565.db2.gz BYMYUJQCPDKZHY-QZTJIDSGSA-N 2 2 318.509 3.380 20 0 DGADLP Fc1ccccc1CC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667602242 547240460 /nfs/dbraw/zinc/24/04/60/547240460.db2.gz XFUUASARUPLWSO-UHFFFAOYSA-N 2 2 313.420 3.423 20 0 DGADLP COc1ccc(C[C@H]2CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000667620462 547246220 /nfs/dbraw/zinc/24/62/20/547246220.db2.gz DRXCKMOQGDLRMQ-QGZVFWFLSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C[C@H]2CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000667620462 547246224 /nfs/dbraw/zinc/24/62/24/547246224.db2.gz DRXCKMOQGDLRMQ-QGZVFWFLSA-N 2 2 313.445 3.192 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664242 547264282 /nfs/dbraw/zinc/26/42/82/547264282.db2.gz GOFKVKHHPYBWGA-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664242 547264288 /nfs/dbraw/zinc/26/42/88/547264288.db2.gz GOFKVKHHPYBWGA-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664242 547264294 /nfs/dbraw/zinc/26/42/94/547264294.db2.gz GOFKVKHHPYBWGA-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)C[C@H]1C ZINC000667664242 547264298 /nfs/dbraw/zinc/26/42/98/547264298.db2.gz GOFKVKHHPYBWGA-DGCLKSJQSA-N 2 2 300.368 3.409 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)n1C ZINC000667707777 547282574 /nfs/dbraw/zinc/28/25/74/547282574.db2.gz INYCEUGJSMRIIG-INIZCTEOSA-N 2 2 315.392 3.105 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)n1C ZINC000667707777 547282579 /nfs/dbraw/zinc/28/25/79/547282579.db2.gz INYCEUGJSMRIIG-INIZCTEOSA-N 2 2 315.392 3.105 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000667863699 547323909 /nfs/dbraw/zinc/32/39/09/547323909.db2.gz DKIDFGRMDJHVRX-BMGDILEWSA-N 2 2 302.462 3.273 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1C ZINC000667983866 547354550 /nfs/dbraw/zinc/35/45/50/547354550.db2.gz CJQOOCUXNUQJGB-WMZOPIPTSA-N 2 2 317.408 3.220 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1C ZINC000667983866 547354554 /nfs/dbraw/zinc/35/45/54/547354554.db2.gz CJQOOCUXNUQJGB-WMZOPIPTSA-N 2 2 317.408 3.220 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)n1C ZINC000668077829 547376644 /nfs/dbraw/zinc/37/66/44/547376644.db2.gz ZCBSHYHZPZZPKB-UHFFFAOYSA-N 2 2 301.356 3.473 20 0 DGADLP CC(C)n1cc[nH+]c1CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000668171652 547402565 /nfs/dbraw/zinc/40/25/65/547402565.db2.gz TXTMABZXIZUKEL-UHFFFAOYSA-N 2 2 316.449 3.153 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2O1 ZINC000668188817 547409650 /nfs/dbraw/zinc/40/96/50/547409650.db2.gz PRMURVZETGYJNA-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2O1 ZINC000668188817 547409652 /nfs/dbraw/zinc/40/96/52/547409652.db2.gz PRMURVZETGYJNA-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)n1C ZINC000668226355 547421449 /nfs/dbraw/zinc/42/14/49/547421449.db2.gz JYMPSOFTIORZFJ-UHFFFAOYSA-N 2 2 319.399 3.461 20 0 DGADLP c1cc(C[NH+]2CCC(Nc3c[nH+]cc4c3CCCC4)CC2)ccn1 ZINC000668440073 547456160 /nfs/dbraw/zinc/45/61/60/547456160.db2.gz HZOWWGFPXZFAOG-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP COCC1(C2CCC2)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000668513673 547471337 /nfs/dbraw/zinc/47/13/37/547471337.db2.gz VACWREIPBZZHHD-UHFFFAOYSA-N 2 2 311.429 3.121 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683172 547508051 /nfs/dbraw/zinc/50/80/51/547508051.db2.gz SWCROTQGNBRKQB-GDBMZVCRSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683172 547508054 /nfs/dbraw/zinc/50/80/54/547508054.db2.gz SWCROTQGNBRKQB-GDBMZVCRSA-N 2 2 308.441 3.087 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000671120655 547770965 /nfs/dbraw/zinc/77/09/65/547770965.db2.gz BPRJEMPVPUPABI-YJBOKZPZSA-N 2 2 304.478 3.300 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000671120655 547770969 /nfs/dbraw/zinc/77/09/69/547770969.db2.gz BPRJEMPVPUPABI-YJBOKZPZSA-N 2 2 304.478 3.300 20 0 DGADLP Cc1ccnc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000671723540 547816761 /nfs/dbraw/zinc/81/67/61/547816761.db2.gz BBRKRJVZORBDRJ-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccnc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000671723540 547816765 /nfs/dbraw/zinc/81/67/65/547816765.db2.gz BBRKRJVZORBDRJ-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000671723540 547816769 /nfs/dbraw/zinc/81/67/69/547816769.db2.gz BBRKRJVZORBDRJ-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000671723540 547816772 /nfs/dbraw/zinc/81/67/72/547816772.db2.gz BBRKRJVZORBDRJ-NRFANRHFSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccnc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000671723541 547816786 /nfs/dbraw/zinc/81/67/86/547816786.db2.gz BBRKRJVZORBDRJ-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccnc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000671723541 547816788 /nfs/dbraw/zinc/81/67/88/547816788.db2.gz BBRKRJVZORBDRJ-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000671723541 547816791 /nfs/dbraw/zinc/81/67/91/547816791.db2.gz BBRKRJVZORBDRJ-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000671723541 547816794 /nfs/dbraw/zinc/81/67/94/547816794.db2.gz BBRKRJVZORBDRJ-OAQYLSRUSA-N 2 2 321.468 3.488 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740478 547821936 /nfs/dbraw/zinc/82/19/36/547821936.db2.gz HJCYIXIEBJLKSR-GFCCVEGCSA-N 2 2 322.368 3.074 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[NH+](C)C2)CC1 ZINC000671742414 547822129 /nfs/dbraw/zinc/82/21/29/547822129.db2.gz IPGMUCITOMYNRT-IOJLRTSASA-N 3 2 315.505 3.113 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[NH+](C)C2)CC1 ZINC000671742414 547822133 /nfs/dbraw/zinc/82/21/33/547822133.db2.gz IPGMUCITOMYNRT-IOJLRTSASA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671742414 547822138 /nfs/dbraw/zinc/82/21/38/547822138.db2.gz IPGMUCITOMYNRT-IOJLRTSASA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671742414 547822141 /nfs/dbraw/zinc/82/21/41/547822141.db2.gz IPGMUCITOMYNRT-IOJLRTSASA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000671746871 547824801 /nfs/dbraw/zinc/82/48/01/547824801.db2.gz QWAHTYXXMZBVIZ-GUYCJALGSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671746871 547824803 /nfs/dbraw/zinc/82/48/03/547824803.db2.gz QWAHTYXXMZBVIZ-GUYCJALGSA-N 2 2 308.416 3.360 20 0 DGADLP Cn1nc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c2ccccc21 ZINC000674045195 548027240 /nfs/dbraw/zinc/02/72/40/548027240.db2.gz RGJSPCLCBJZBIU-UHFFFAOYSA-N 2 2 312.461 3.070 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322348 548061083 /nfs/dbraw/zinc/06/10/83/548061083.db2.gz PJTUTEXZYFGXCL-AWEZNQCLSA-N 2 2 305.809 3.252 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322348 548061089 /nfs/dbraw/zinc/06/10/89/548061089.db2.gz PJTUTEXZYFGXCL-AWEZNQCLSA-N 2 2 305.809 3.252 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c2ccccc2)cc1 ZINC000675730495 548260053 /nfs/dbraw/zinc/26/00/53/548260053.db2.gz VFVBHSBMESTRHG-CWFSZBLJSA-N 2 2 310.441 3.324 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc2)cc1 ZINC000675730495 548260056 /nfs/dbraw/zinc/26/00/56/548260056.db2.gz VFVBHSBMESTRHG-CWFSZBLJSA-N 2 2 310.441 3.324 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c2ccccc2)cc1 ZINC000675730494 548260100 /nfs/dbraw/zinc/26/01/00/548260100.db2.gz VFVBHSBMESTRHG-CDHQVMDDSA-N 2 2 310.441 3.324 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c2ccccc2)cc1 ZINC000675730494 548260104 /nfs/dbraw/zinc/26/01/04/548260104.db2.gz VFVBHSBMESTRHG-CDHQVMDDSA-N 2 2 310.441 3.324 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765569 548266730 /nfs/dbraw/zinc/26/67/30/548266730.db2.gz LLUDCCIFUPMBSC-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765569 548266733 /nfs/dbraw/zinc/26/67/33/548266733.db2.gz LLUDCCIFUPMBSC-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675899048 548288148 /nfs/dbraw/zinc/28/81/48/548288148.db2.gz BRGYDPRVSYNEFJ-LJQANCHMSA-N 2 2 312.461 3.088 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000675925100 548293287 /nfs/dbraw/zinc/29/32/87/548293287.db2.gz GFBSLVQNHLSBLZ-GOSISDBHSA-N 2 2 321.424 3.471 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000675929501 548295016 /nfs/dbraw/zinc/29/50/16/548295016.db2.gz JJYFZBJQNOWOFT-SFHVURJKSA-N 2 2 302.462 3.109 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077238 548318088 /nfs/dbraw/zinc/31/80/88/548318088.db2.gz MNMMJVWPOAVQIS-ZYHUDNBSSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077238 548318091 /nfs/dbraw/zinc/31/80/91/548318091.db2.gz MNMMJVWPOAVQIS-ZYHUDNBSSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000676119108 548322610 /nfs/dbraw/zinc/32/26/10/548322610.db2.gz LGUFRTNGLZXYLN-UYAOXDASSA-N 2 2 323.484 3.375 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000676119108 548322613 /nfs/dbraw/zinc/32/26/13/548322613.db2.gz LGUFRTNGLZXYLN-UYAOXDASSA-N 2 2 323.484 3.375 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235788 548335483 /nfs/dbraw/zinc/33/54/83/548335483.db2.gz OCAWGVJLZYRFDG-AEFFLSMTSA-N 2 2 300.446 3.073 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235788 548335489 /nfs/dbraw/zinc/33/54/89/548335489.db2.gz OCAWGVJLZYRFDG-AEFFLSMTSA-N 2 2 300.446 3.073 20 0 DGADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676883692 548427614 /nfs/dbraw/zinc/42/76/14/548427614.db2.gz OCGWAQFNDOLHQH-BNOWGMLFSA-N 2 2 317.820 3.207 20 0 DGADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676883692 548427616 /nfs/dbraw/zinc/42/76/16/548427616.db2.gz OCGWAQFNDOLHQH-BNOWGMLFSA-N 2 2 317.820 3.207 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(OC)c(Cl)c2)CC1 ZINC000676890568 548428705 /nfs/dbraw/zinc/42/87/05/548428705.db2.gz MRNVHXQUPCOHPZ-UHFFFAOYSA-N 2 2 311.857 3.050 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(OC)c(Cl)c2)CC1 ZINC000676890568 548428709 /nfs/dbraw/zinc/42/87/09/548428709.db2.gz MRNVHXQUPCOHPZ-UHFFFAOYSA-N 2 2 311.857 3.050 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000677749655 548550546 /nfs/dbraw/zinc/55/05/46/548550546.db2.gz MGUXTMWOMZBWRB-CEXWTWQISA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000677749655 548550549 /nfs/dbraw/zinc/55/05/49/548550549.db2.gz MGUXTMWOMZBWRB-CEXWTWQISA-N 2 2 316.489 3.180 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806471 548558879 /nfs/dbraw/zinc/55/88/79/548558879.db2.gz DCTZNHOFOVCKFH-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806471 548558882 /nfs/dbraw/zinc/55/88/82/548558882.db2.gz DCTZNHOFOVCKFH-NZSAHSFTSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678234683 548648683 /nfs/dbraw/zinc/64/86/83/548648683.db2.gz JJAWOCLPTXCBGL-SFHVURJKSA-N 2 2 321.428 3.419 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678234683 548648689 /nfs/dbraw/zinc/64/86/89/548648689.db2.gz JJAWOCLPTXCBGL-SFHVURJKSA-N 2 2 321.428 3.419 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235407 548648825 /nfs/dbraw/zinc/64/88/25/548648825.db2.gz SGZLPCLHSZMRLH-CQSZACIVSA-N 2 2 313.430 3.172 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235407 548648831 /nfs/dbraw/zinc/64/88/31/548648831.db2.gz SGZLPCLHSZMRLH-CQSZACIVSA-N 2 2 313.430 3.172 20 0 DGADLP FC(F)COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678234252 548649290 /nfs/dbraw/zinc/64/92/90/548649290.db2.gz BUCFOBCOQPHWPE-HNNXBMFYSA-N 2 2 321.371 3.364 20 0 DGADLP FC(F)COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678234252 548649291 /nfs/dbraw/zinc/64/92/91/548649291.db2.gz BUCFOBCOQPHWPE-HNNXBMFYSA-N 2 2 321.371 3.364 20 0 DGADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000678235640 548649708 /nfs/dbraw/zinc/64/97/08/548649708.db2.gz XLWACOZXWGWTHN-QGZVFWFLSA-N 2 2 311.429 3.434 20 0 DGADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000678235640 548649711 /nfs/dbraw/zinc/64/97/11/548649711.db2.gz XLWACOZXWGWTHN-QGZVFWFLSA-N 2 2 311.429 3.434 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cscc1Cl ZINC000678338455 548681242 /nfs/dbraw/zinc/68/12/42/548681242.db2.gz AHIZAABMBGDLPZ-SNPRPXQTSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cscc1Cl ZINC000678338455 548681245 /nfs/dbraw/zinc/68/12/45/548681245.db2.gz AHIZAABMBGDLPZ-SNPRPXQTSA-N 2 2 314.882 3.085 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1 ZINC000678428650 548702040 /nfs/dbraw/zinc/70/20/40/548702040.db2.gz RDXXIPOIWBHWAA-MAUKXSAKSA-N 2 2 306.413 3.450 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C(C)C)C3CC3)c2cc1C ZINC000678586915 548733385 /nfs/dbraw/zinc/73/33/85/548733385.db2.gz MDZOTIJDPYJMQF-LPHOPBHVSA-N 2 2 315.461 3.038 20 0 DGADLP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000678607853 548739624 /nfs/dbraw/zinc/73/96/24/548739624.db2.gz SYBCXVUIHKDCCK-QGZVFWFLSA-N 2 2 322.880 3.055 20 0 DGADLP OC[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000678607851 548739651 /nfs/dbraw/zinc/73/96/51/548739651.db2.gz SYBCXVUIHKDCCK-KRWDZBQOSA-N 2 2 322.880 3.055 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678991985 548807372 /nfs/dbraw/zinc/80/73/72/548807372.db2.gz JEOXGGAFAINRDL-HNNXBMFYSA-N 2 2 319.518 3.472 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678991985 548807376 /nfs/dbraw/zinc/80/73/76/548807376.db2.gz JEOXGGAFAINRDL-HNNXBMFYSA-N 2 2 319.518 3.472 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991872 548807897 /nfs/dbraw/zinc/80/78/97/548807897.db2.gz DGPMXEFEBLEQNL-KGLIPLIRSA-N 2 2 307.507 3.327 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991872 548807900 /nfs/dbraw/zinc/80/79/00/548807900.db2.gz DGPMXEFEBLEQNL-KGLIPLIRSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991872 548807908 /nfs/dbraw/zinc/80/79/08/548807908.db2.gz DGPMXEFEBLEQNL-KGLIPLIRSA-N 2 2 307.507 3.327 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)C[C@H]1C ZINC000678991872 548807913 /nfs/dbraw/zinc/80/79/13/548807913.db2.gz DGPMXEFEBLEQNL-KGLIPLIRSA-N 2 2 307.507 3.327 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999533 548810028 /nfs/dbraw/zinc/81/00/28/548810028.db2.gz RWDCEFJVBVDXIG-OKZBNKHCSA-N 2 2 302.462 3.054 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)C1 ZINC000678999533 548810032 /nfs/dbraw/zinc/81/00/32/548810032.db2.gz RWDCEFJVBVDXIG-OKZBNKHCSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679345745 548882612 /nfs/dbraw/zinc/88/26/12/548882612.db2.gz PCJVQFDBTRMISL-SUMWQHHRSA-N 2 2 309.417 3.086 20 0 DGADLP FC(F)O[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000679682120 548939074 /nfs/dbraw/zinc/93/90/74/548939074.db2.gz MKCGVILLCJRVJI-HNNXBMFYSA-N 2 2 307.344 3.076 20 0 DGADLP FC(F)O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000679682120 548939076 /nfs/dbraw/zinc/93/90/76/548939076.db2.gz MKCGVILLCJRVJI-HNNXBMFYSA-N 2 2 307.344 3.076 20 0 DGADLP Cc1[nH+]c2ccccc2c(NC2CC[NH+](CC(F)F)CC2)c1C ZINC000680052762 548988432 /nfs/dbraw/zinc/98/84/32/548988432.db2.gz MHAMXMOWGJNYNT-UHFFFAOYSA-N 2 2 319.399 3.415 20 0 DGADLP COc1ccc2c(c1)CC[C@H]([NH2+]Cc1c[nH+]c3ccc(C)cn13)C2 ZINC000680135807 549002377 /nfs/dbraw/zinc/00/23/77/549002377.db2.gz KDUTZXNFJBFENE-KRWDZBQOSA-N 2 2 321.424 3.298 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)c2)c[nH+]1 ZINC000680334616 549030797 /nfs/dbraw/zinc/03/07/97/549030797.db2.gz MBSOSBBJYCHWPY-MRXNPFEDSA-N 2 2 324.453 3.393 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)c2)c[nH+]1 ZINC000680334616 549030801 /nfs/dbraw/zinc/03/08/01/549030801.db2.gz MBSOSBBJYCHWPY-MRXNPFEDSA-N 2 2 324.453 3.393 20 0 DGADLP c1cc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)c[nH]1 ZINC000680961940 549136850 /nfs/dbraw/zinc/13/68/50/549136850.db2.gz QWPVWFBOJJUEBQ-UHFFFAOYSA-N 2 2 320.400 3.263 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000681743213 549248669 /nfs/dbraw/zinc/24/86/69/549248669.db2.gz FSPSVBVEEUKALT-MJGOQNOKSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000681743213 549248675 /nfs/dbraw/zinc/24/86/75/549248675.db2.gz FSPSVBVEEUKALT-MJGOQNOKSA-N 2 2 304.478 3.182 20 0 DGADLP CC[NH+](CC)CCC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000683140572 549437756 /nfs/dbraw/zinc/43/77/56/549437756.db2.gz ALDHWEAXMZYVAE-GHMZBOCLSA-N 2 2 320.321 3.391 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000683814214 549540435 /nfs/dbraw/zinc/54/04/35/549540435.db2.gz DSCORVMZGGQBAW-HUUCEWRRSA-N 2 2 323.278 3.429 20 0 DGADLP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CC2 ZINC000683814214 549540440 /nfs/dbraw/zinc/54/04/40/549540440.db2.gz DSCORVMZGGQBAW-HUUCEWRRSA-N 2 2 323.278 3.429 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000683898689 549552855 /nfs/dbraw/zinc/55/28/55/549552855.db2.gz SGRRKNURMJBUQP-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000683898689 549552860 /nfs/dbraw/zinc/55/28/60/549552860.db2.gz SGRRKNURMJBUQP-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000683898689 549552864 /nfs/dbraw/zinc/55/28/64/549552864.db2.gz SGRRKNURMJBUQP-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000683898689 549552868 /nfs/dbraw/zinc/55/28/68/549552868.db2.gz SGRRKNURMJBUQP-PBHICJAKSA-N 2 2 305.466 3.378 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000684368426 549620219 /nfs/dbraw/zinc/62/02/19/549620219.db2.gz IGDMWCAMNFGOQA-OTWHNJEPSA-N 2 2 302.462 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCC[C@@H](OC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684369059 549620255 /nfs/dbraw/zinc/62/02/55/549620255.db2.gz WYTXYMWJIQIBQH-XUVXKRRUSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@H](C[NH2+][C@H]1CCC[C@@H](OC)C1)[N@H+]1CCc2ccccc2C1 ZINC000684369059 549620259 /nfs/dbraw/zinc/62/02/59/549620259.db2.gz WYTXYMWJIQIBQH-XUVXKRRUSA-N 2 2 316.489 3.371 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000684367931 549620291 /nfs/dbraw/zinc/62/02/91/549620291.db2.gz ISCROAUSGWTMRM-RTBURBONSA-N 2 2 316.489 3.371 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000684367931 549620293 /nfs/dbraw/zinc/62/02/93/549620293.db2.gz ISCROAUSGWTMRM-RTBURBONSA-N 2 2 316.489 3.371 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](OC)C1)Cc1ccccc1 ZINC000684369266 549621018 /nfs/dbraw/zinc/62/10/18/549621018.db2.gz MISHJBPTEVLWMF-UFYCRDLUSA-N 2 2 318.505 3.487 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c[nH+]1 ZINC000684379729 549623349 /nfs/dbraw/zinc/62/33/49/549623349.db2.gz UARXQNYFGBVWCE-ZDUSSCGKSA-N 2 2 310.401 3.255 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c[nH+]1 ZINC000684379728 549623527 /nfs/dbraw/zinc/62/35/27/549623527.db2.gz UARXQNYFGBVWCE-CYBMUJFWSA-N 2 2 310.401 3.255 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)c[nH+]1 ZINC000684612719 549668409 /nfs/dbraw/zinc/66/84/09/549668409.db2.gz JCXWEYKKAHLDER-SFHVURJKSA-N 2 2 311.429 3.088 20 0 DGADLP c1cn([C@H]2CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)c[nH+]1 ZINC000684612719 549668411 /nfs/dbraw/zinc/66/84/11/549668411.db2.gz JCXWEYKKAHLDER-SFHVURJKSA-N 2 2 311.429 3.088 20 0 DGADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000685424022 549757819 /nfs/dbraw/zinc/75/78/19/549757819.db2.gz PYXJYBIGLOSYIF-GMXGEUMGSA-N 2 2 306.400 3.285 20 0 DGADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000685424022 549757821 /nfs/dbraw/zinc/75/78/21/549757821.db2.gz PYXJYBIGLOSYIF-GMXGEUMGSA-N 2 2 306.400 3.285 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000685462865 549765504 /nfs/dbraw/zinc/76/55/04/549765504.db2.gz WTEUWRCIJYNDQC-UHFFFAOYSA-N 2 2 318.490 3.303 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2c(s1)CCC2 ZINC000685462865 549765506 /nfs/dbraw/zinc/76/55/06/549765506.db2.gz WTEUWRCIJYNDQC-UHFFFAOYSA-N 2 2 318.490 3.303 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000685562260 549774222 /nfs/dbraw/zinc/77/42/22/549774222.db2.gz GNZGQOZHUUAWRA-KRWDZBQOSA-N 2 2 305.466 3.235 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000685562260 549774226 /nfs/dbraw/zinc/77/42/26/549774226.db2.gz GNZGQOZHUUAWRA-KRWDZBQOSA-N 2 2 305.466 3.235 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2occc2Br)C1 ZINC000735323128 574698169 /nfs/dbraw/zinc/69/81/69/574698169.db2.gz RMGFEUVLWGXQMV-GFCCVEGCSA-N 2 2 315.255 3.252 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2occc2Br)C1 ZINC000735323128 574698171 /nfs/dbraw/zinc/69/81/71/574698171.db2.gz RMGFEUVLWGXQMV-GFCCVEGCSA-N 2 2 315.255 3.252 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cn3ccc(-c4ccsc4)n3)C2)c[nH+]1 ZINC000738159250 574860010 /nfs/dbraw/zinc/86/00/10/574860010.db2.gz RHPIZOKYOMUHCJ-OAHLLOKOSA-N 2 2 313.430 3.103 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cn3ccc(-c4ccsc4)n3)C2)c[nH+]1 ZINC000738159250 574860012 /nfs/dbraw/zinc/86/00/12/574860012.db2.gz RHPIZOKYOMUHCJ-OAHLLOKOSA-N 2 2 313.430 3.103 20 0 DGADLP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000741777457 574970054 /nfs/dbraw/zinc/97/00/54/574970054.db2.gz YZEPTMHUAZHOTJ-KRWDZBQOSA-N 2 2 324.509 3.306 20 0 DGADLP Cc1ccc2c(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000729266467 575231552 /nfs/dbraw/zinc/23/15/52/575231552.db2.gz FPOUZMQMQVTZTG-INIZCTEOSA-N 2 2 323.396 3.135 20 0 DGADLP Cc1ccc2c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000729266467 575231553 /nfs/dbraw/zinc/23/15/53/575231553.db2.gz FPOUZMQMQVTZTG-INIZCTEOSA-N 2 2 323.396 3.135 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000729682444 575260543 /nfs/dbraw/zinc/26/05/43/575260543.db2.gz RKDGRJKXVYMLER-ZDUSSCGKSA-N 2 2 313.228 3.063 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000729682444 575260544 /nfs/dbraw/zinc/26/05/44/575260544.db2.gz RKDGRJKXVYMLER-ZDUSSCGKSA-N 2 2 313.228 3.063 20 0 DGADLP FC(F)C(F)(F)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752069127 575820635 /nfs/dbraw/zinc/82/06/35/575820635.db2.gz RVVQMDZJWHZMMV-UHFFFAOYSA-N 2 2 310.379 3.475 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000891822562 617906246 /nfs/dbraw/zinc/90/62/46/617906246.db2.gz CJQALJJRBIMBOJ-MRXNPFEDSA-N 2 2 306.450 3.232 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000891822562 617906249 /nfs/dbraw/zinc/90/62/49/617906249.db2.gz CJQALJJRBIMBOJ-MRXNPFEDSA-N 2 2 306.450 3.232 20 0 DGADLP c1nn(CC2CCC2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892085413 617958229 /nfs/dbraw/zinc/95/82/29/617958229.db2.gz DYFGXKRWRIEAMP-LJQANCHMSA-N 2 2 316.493 3.134 20 0 DGADLP c1nn(CC2CCC2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000892085413 617958231 /nfs/dbraw/zinc/95/82/31/617958231.db2.gz DYFGXKRWRIEAMP-LJQANCHMSA-N 2 2 316.493 3.134 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104953 617963601 /nfs/dbraw/zinc/96/36/01/617963601.db2.gz VTCKEDXTEXBSHE-DOTOQJQBSA-N 2 2 301.478 3.265 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104953 617963605 /nfs/dbraw/zinc/96/36/05/617963605.db2.gz VTCKEDXTEXBSHE-DOTOQJQBSA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104953 617963609 /nfs/dbraw/zinc/96/36/09/617963609.db2.gz VTCKEDXTEXBSHE-DOTOQJQBSA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc3c2CCCC3)C[C@@H]1C ZINC000892104953 617963611 /nfs/dbraw/zinc/96/36/11/617963611.db2.gz VTCKEDXTEXBSHE-DOTOQJQBSA-N 2 2 301.478 3.265 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104954 617963621 /nfs/dbraw/zinc/96/36/21/617963621.db2.gz VTCKEDXTEXBSHE-NVXWUHKLSA-N 2 2 301.478 3.265 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104954 617963623 /nfs/dbraw/zinc/96/36/23/617963623.db2.gz VTCKEDXTEXBSHE-NVXWUHKLSA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104954 617963625 /nfs/dbraw/zinc/96/36/25/617963625.db2.gz VTCKEDXTEXBSHE-NVXWUHKLSA-N 2 2 301.478 3.265 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nccc3c2CCCC3)C[C@H]1C ZINC000892104954 617963628 /nfs/dbraw/zinc/96/36/28/617963628.db2.gz VTCKEDXTEXBSHE-NVXWUHKLSA-N 2 2 301.478 3.265 20 0 DGADLP c1nn(C2CCC2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892234000 617991767 /nfs/dbraw/zinc/99/17/67/617991767.db2.gz AHEFIBYJVVHSDB-VQIMIIECSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892234000 617991771 /nfs/dbraw/zinc/99/17/71/617991771.db2.gz AHEFIBYJVVHSDB-VQIMIIECSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000892234000 617991775 /nfs/dbraw/zinc/99/17/75/617991775.db2.gz AHEFIBYJVVHSDB-VQIMIIECSA-N 2 2 314.477 3.057 20 0 DGADLP c1nn(C2CCC2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000892234000 617991781 /nfs/dbraw/zinc/99/17/81/617991781.db2.gz AHEFIBYJVVHSDB-VQIMIIECSA-N 2 2 314.477 3.057 20 0 DGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000926556574 618047827 /nfs/dbraw/zinc/04/78/27/618047827.db2.gz YGWWGRARZZDGBP-FUHWJXTLSA-N 2 2 301.478 3.257 20 0 DGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000926556574 618047832 /nfs/dbraw/zinc/04/78/32/618047832.db2.gz YGWWGRARZZDGBP-FUHWJXTLSA-N 2 2 301.478 3.257 20 0 DGADLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000892445873 618068079 /nfs/dbraw/zinc/06/80/79/618068079.db2.gz BSCNBDDCDLRRSC-UHFFFAOYSA-N 2 2 314.429 3.433 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892479602 618076722 /nfs/dbraw/zinc/07/67/22/618076722.db2.gz IKAFEHWTWOXYEW-UHFFFAOYSA-N 2 2 321.412 3.210 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)N2CCCC2)c1 ZINC000924543241 618081620 /nfs/dbraw/zinc/08/16/20/618081620.db2.gz PPIKLONUMVUAOS-KSZLIROESA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)N2CCCC2)c1 ZINC000924543241 618081621 /nfs/dbraw/zinc/08/16/21/618081621.db2.gz PPIKLONUMVUAOS-KSZLIROESA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)N2CCCC2)c1 ZINC000924543242 618082049 /nfs/dbraw/zinc/08/20/49/618082049.db2.gz PPIKLONUMVUAOS-KURKYZTESA-N 2 2 317.477 3.023 20 0 DGADLP c1coc([C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)N2CCCC2)c1 ZINC000924543242 618082052 /nfs/dbraw/zinc/08/20/52/618082052.db2.gz PPIKLONUMVUAOS-KURKYZTESA-N 2 2 317.477 3.023 20 0 DGADLP Cc1cc(C)cc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)c1 ZINC000924550395 618087313 /nfs/dbraw/zinc/08/73/13/618087313.db2.gz DBHISUBWLDLZTI-LJQANCHMSA-N 2 2 306.413 3.274 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000892524000 618099216 /nfs/dbraw/zinc/09/92/16/618099216.db2.gz GOBYCKFUEPDTQU-UHFFFAOYSA-N 2 2 314.429 3.085 20 0 DGADLP CCCSC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000892614402 618119256 /nfs/dbraw/zinc/11/92/56/618119256.db2.gz IKAIKKCYDSFFCU-MRXNPFEDSA-N 2 2 322.518 3.140 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924602920 618301621 /nfs/dbraw/zinc/30/16/21/618301621.db2.gz PDACAPMLTIJFCG-RTBURBONSA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924602920 618301628 /nfs/dbraw/zinc/30/16/28/618301628.db2.gz PDACAPMLTIJFCG-RTBURBONSA-N 2 2 302.462 3.330 20 0 DGADLP Cc1cc[nH+]c(N)c1CNc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000894412132 618316920 /nfs/dbraw/zinc/31/69/20/618316920.db2.gz DUDQIXYBKSHHAB-UHFFFAOYSA-N 2 2 307.401 3.348 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000894495895 618359079 /nfs/dbraw/zinc/35/90/79/618359079.db2.gz NCWSQVGDHMIHCN-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000894495895 618359085 /nfs/dbraw/zinc/35/90/85/618359085.db2.gz NCWSQVGDHMIHCN-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000894495895 618359090 /nfs/dbraw/zinc/35/90/90/618359090.db2.gz NCWSQVGDHMIHCN-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000894495895 618359095 /nfs/dbraw/zinc/35/90/95/618359095.db2.gz NCWSQVGDHMIHCN-MJGOQNOKSA-N 2 2 301.478 3.196 20 0 DGADLP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925514114 618450981 /nfs/dbraw/zinc/45/09/81/618450981.db2.gz NJMMMMXNEYNVIE-IBGZPJMESA-N 3 2 313.489 3.047 20 0 DGADLP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925517340 618454154 /nfs/dbraw/zinc/45/41/54/618454154.db2.gz GFUAJAJJRQVGTL-LJQANCHMSA-N 3 2 313.489 3.047 20 0 DGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)o1 ZINC000925676222 618526867 /nfs/dbraw/zinc/52/68/67/618526867.db2.gz YTDFHDAMAUVGLR-JKSUJKDBSA-N 2 2 305.466 3.193 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(Cl)nc2)c2cccc[nH+]2)CC1 ZINC000895110159 618539056 /nfs/dbraw/zinc/53/90/56/618539056.db2.gz BUVMMDDBUSSZTR-SHTZXODSSA-N 2 2 316.836 3.407 20 0 DGADLP C[C@@H]([C@@H]1CCCCO1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112485 618540631 /nfs/dbraw/zinc/54/06/31/618540631.db2.gz AEBUPEAHCYULDE-QAETUUGQSA-N 2 2 303.450 3.116 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(-c2ccncc2)cc1F)[NH+](C)C ZINC000895297439 618590645 /nfs/dbraw/zinc/59/06/45/618590645.db2.gz WCNXOCOJOBGBAA-AWEZNQCLSA-N 2 2 301.409 3.318 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925793310 618620783 /nfs/dbraw/zinc/62/07/83/618620783.db2.gz IDRFKMTVLLDOKC-AEFFLSMTSA-N 2 2 302.462 3.113 20 0 DGADLP Fc1ccc(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000893706347 618646469 /nfs/dbraw/zinc/64/64/69/618646469.db2.gz DAKHOYORJFVLDT-QRMWWUJWSA-N 2 2 303.356 3.012 20 0 DGADLP Fc1ccc(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000893706346 618646518 /nfs/dbraw/zinc/64/65/18/618646518.db2.gz DAKHOYORJFVLDT-HRDQMINSSA-N 2 2 303.356 3.012 20 0 DGADLP CC[N@@H+](Cc1ocnc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076486 618706608 /nfs/dbraw/zinc/70/66/08/618706608.db2.gz OGMGASLHCKANCG-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[N@H+](Cc1ocnc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000894076486 618706610 /nfs/dbraw/zinc/70/66/10/618706610.db2.gz OGMGASLHCKANCG-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ocnc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894076486 618706611 /nfs/dbraw/zinc/70/66/11/618706611.db2.gz OGMGASLHCKANCG-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP CC[NH+](Cc1ocnc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894076486 618706614 /nfs/dbraw/zinc/70/66/14/618706614.db2.gz OGMGASLHCKANCG-SFHVURJKSA-N 2 2 313.445 3.327 20 0 DGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccns1 ZINC000924888561 618722881 /nfs/dbraw/zinc/72/28/81/618722881.db2.gz JUBNMYFRRUFXMU-RYUDHWBXSA-N 2 2 304.463 3.303 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000894208597 618730362 /nfs/dbraw/zinc/73/03/62/618730362.db2.gz JVNUPGUKCWEART-CQSZACIVSA-N 2 2 305.447 3.046 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000894208597 618730363 /nfs/dbraw/zinc/73/03/63/618730363.db2.gz JVNUPGUKCWEART-CQSZACIVSA-N 2 2 305.447 3.046 20 0 DGADLP Cc1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(N(C)C)[nH+]1 ZINC000841155212 618730765 /nfs/dbraw/zinc/73/07/65/618730765.db2.gz UAIWJSSFPCOWEZ-LBPRGKRZSA-N 2 2 313.405 3.120 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2COCC2(C)C)c(C)c1 ZINC000894356458 618771085 /nfs/dbraw/zinc/77/10/85/618771085.db2.gz KGNPQDWYGXUYSB-MSOLQXFVSA-N 2 2 313.445 3.256 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381292 618776351 /nfs/dbraw/zinc/77/63/51/618776351.db2.gz SIGYVPRAYOFAMK-XJKSGUPXSA-N 2 2 317.433 3.086 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381292 618776353 /nfs/dbraw/zinc/77/63/53/618776353.db2.gz SIGYVPRAYOFAMK-XJKSGUPXSA-N 2 2 317.433 3.086 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000895752291 618827274 /nfs/dbraw/zinc/82/72/74/618827274.db2.gz AODQNGLFGJKDHV-UHFFFAOYSA-N 2 2 306.498 3.387 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000895822634 618836027 /nfs/dbraw/zinc/83/60/27/618836027.db2.gz PNCPWHFMFAZVDN-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846191 618841177 /nfs/dbraw/zinc/84/11/77/618841177.db2.gz ZJBBIQSFAXMHMJ-PKOBYXMFSA-N 2 2 323.440 3.400 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846191 618841181 /nfs/dbraw/zinc/84/11/81/618841181.db2.gz ZJBBIQSFAXMHMJ-PKOBYXMFSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846191 618841182 /nfs/dbraw/zinc/84/11/82/618841182.db2.gz ZJBBIQSFAXMHMJ-PKOBYXMFSA-N 2 2 323.440 3.400 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Oc4ccccn4)c3)CC[C@H]21 ZINC000895846191 618841183 /nfs/dbraw/zinc/84/11/83/618841183.db2.gz ZJBBIQSFAXMHMJ-PKOBYXMFSA-N 2 2 323.440 3.400 20 0 DGADLP C[C@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000897711649 619174812 /nfs/dbraw/zinc/17/48/12/619174812.db2.gz PVNZCPPJJWCICW-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000897711649 619174814 /nfs/dbraw/zinc/17/48/14/619174814.db2.gz PVNZCPPJJWCICW-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)O1 ZINC000926917765 619248717 /nfs/dbraw/zinc/24/87/17/619248717.db2.gz XKOYSXPBIBHLKP-KBXIAJHMSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)O1 ZINC000926917765 619248718 /nfs/dbraw/zinc/24/87/18/619248718.db2.gz XKOYSXPBIBHLKP-KBXIAJHMSA-N 2 2 320.399 3.093 20 0 DGADLP CCO[C@@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000926965670 619253529 /nfs/dbraw/zinc/25/35/29/619253529.db2.gz RXEJWNSPUQDMMY-OBJOEFQTSA-N 2 2 314.520 3.230 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706108 619261642 /nfs/dbraw/zinc/26/16/42/619261642.db2.gz OEFVZXYXTNPHGW-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924706108 619261644 /nfs/dbraw/zinc/26/16/44/619261644.db2.gz OEFVZXYXTNPHGW-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP CC1(C)C[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C(C)(C)O1 ZINC000927101795 619265832 /nfs/dbraw/zinc/26/58/32/619265832.db2.gz ODHZMWOEEYUAPY-OAHLLOKOSA-N 2 2 317.477 3.234 20 0 DGADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924767603 619381943 /nfs/dbraw/zinc/38/19/43/619381943.db2.gz BNCKJDSCZWSHAH-WMZOPIPTSA-N 2 2 301.434 3.292 20 0 DGADLP CNc1ccc(C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000902077570 619583607 /nfs/dbraw/zinc/58/36/07/619583607.db2.gz XDVCFYGFNNKVOI-UHFFFAOYSA-N 2 2 321.428 3.216 20 0 DGADLP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000902412522 619629028 /nfs/dbraw/zinc/62/90/28/619629028.db2.gz CILSPSHGCDSLEP-LLVKDONJSA-N 2 2 301.217 3.288 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000902384864 619629263 /nfs/dbraw/zinc/62/92/63/619629263.db2.gz WBMDNSREWYXTKX-VIFPVBQESA-N 2 2 304.331 3.111 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902433506 619635452 /nfs/dbraw/zinc/63/54/52/619635452.db2.gz LHPJRTUUSKVMNL-FRQCXROJSA-N 2 2 312.388 3.036 20 0 DGADLP COc1ccccc1[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902470859 619642275 /nfs/dbraw/zinc/64/22/75/619642275.db2.gz HUFDJCDZNWKWAN-WFEDQXDTSA-N 2 2 300.446 3.409 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c(C)c1 ZINC000902486250 619645945 /nfs/dbraw/zinc/64/59/45/619645945.db2.gz CKFCLXBZOPYASW-IAGOWNOFSA-N 2 2 317.477 3.142 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902724001 619666152 /nfs/dbraw/zinc/66/61/52/619666152.db2.gz VNIMJWTYEMFTGW-YJBOKZPZSA-N 2 2 324.428 3.419 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902726169 619666542 /nfs/dbraw/zinc/66/65/42/619666542.db2.gz LNHSRMFBWJTRBH-NSHDSACASA-N 2 2 301.356 3.235 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742342 619669130 /nfs/dbraw/zinc/66/91/30/619669130.db2.gz OEQXGUOICZMUCV-NEPJUHHUSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cn1 ZINC000902742342 619669131 /nfs/dbraw/zinc/66/91/31/619669131.db2.gz OEQXGUOICZMUCV-NEPJUHHUSA-N 2 2 313.367 3.235 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902747472 619669520 /nfs/dbraw/zinc/66/95/20/619669520.db2.gz VAXDQEGZFTYWQK-HNNXBMFYSA-N 2 2 321.428 3.184 20 0 DGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)c[nH+]1 ZINC000902758802 619671590 /nfs/dbraw/zinc/67/15/90/619671590.db2.gz INJCRVOXSNCJBY-QZTJIDSGSA-N 2 2 305.466 3.238 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)Cn1cc[nH+]c1 ZINC000902776302 619674165 /nfs/dbraw/zinc/67/41/65/619674165.db2.gz OVYKRGQYSJVYFF-NXHRZFHOSA-N 2 2 305.466 3.094 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000902877274 619687110 /nfs/dbraw/zinc/68/71/10/619687110.db2.gz MVAFFGFYOBUPNM-MRXNPFEDSA-N 2 2 321.428 3.338 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085718 619713317 /nfs/dbraw/zinc/71/33/17/619713317.db2.gz YWVDUJXFKNOYTM-DNVCBOLYSA-N 2 2 313.445 3.464 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000903074260 619715779 /nfs/dbraw/zinc/71/57/79/619715779.db2.gz UPVUAQIAKGOJMF-LZQZEXGQSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000903074260 619715780 /nfs/dbraw/zinc/71/57/80/619715780.db2.gz UPVUAQIAKGOJMF-LZQZEXGQSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903074260 619715782 /nfs/dbraw/zinc/71/57/82/619715782.db2.gz UPVUAQIAKGOJMF-LZQZEXGQSA-N 2 2 324.472 3.145 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000903074260 619715783 /nfs/dbraw/zinc/71/57/83/619715783.db2.gz UPVUAQIAKGOJMF-LZQZEXGQSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903168612 619732764 /nfs/dbraw/zinc/73/27/64/619732764.db2.gz YLMQEIZJXXZYEZ-SFESLNEESA-N 2 2 305.853 3.291 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903168612 619732765 /nfs/dbraw/zinc/73/27/65/619732765.db2.gz YLMQEIZJXXZYEZ-SFESLNEESA-N 2 2 305.853 3.291 20 0 DGADLP F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903192664 619733759 /nfs/dbraw/zinc/73/37/59/619733759.db2.gz QBNYNXNWTZKPEO-MSEHENTLSA-N 2 2 300.421 3.371 20 0 DGADLP F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903192664 619733760 /nfs/dbraw/zinc/73/37/60/619733760.db2.gz QBNYNXNWTZKPEO-MSEHENTLSA-N 2 2 300.421 3.371 20 0 DGADLP C[NH+](C)Cc1csc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1 ZINC000903227414 619744015 /nfs/dbraw/zinc/74/40/15/619744015.db2.gz UDKSVZIEJKAFFY-UHFFFAOYSA-N 2 2 305.491 3.119 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000903345464 619760978 /nfs/dbraw/zinc/76/09/78/619760978.db2.gz WPTDGNHZWAQTCU-UHFFFAOYSA-N 3 2 307.526 3.105 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000903345464 619760979 /nfs/dbraw/zinc/76/09/79/619760979.db2.gz WPTDGNHZWAQTCU-UHFFFAOYSA-N 3 2 307.526 3.105 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903376779 619767823 /nfs/dbraw/zinc/76/78/23/619767823.db2.gz GUYJXQFFRJMPSH-IAGOWNOFSA-N 2 2 307.482 3.115 20 0 DGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385409 619769376 /nfs/dbraw/zinc/76/93/76/619769376.db2.gz XHLTVDFRURQIAR-BEFAXECRSA-N 2 2 315.436 3.434 20 0 DGADLP Cc1ncccc1CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903417919 619773177 /nfs/dbraw/zinc/77/31/77/619773177.db2.gz HJYNEFLKPDOMCE-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903402883 619773874 /nfs/dbraw/zinc/77/38/74/619773874.db2.gz HOYVJAFIMNQDGI-MRXNPFEDSA-N 2 2 321.424 3.258 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910757 619833176 /nfs/dbraw/zinc/83/31/76/619833176.db2.gz PVQBNJUCRLDGRZ-DGCLKSJQSA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910757 619833178 /nfs/dbraw/zinc/83/31/78/619833178.db2.gz PVQBNJUCRLDGRZ-DGCLKSJQSA-N 2 2 322.321 3.477 20 0 DGADLP C[C@H](CC[N@@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903942937 619842548 /nfs/dbraw/zinc/84/25/48/619842548.db2.gz YJVSBOYNSHQWMZ-CYBMUJFWSA-N 2 2 301.459 3.154 20 0 DGADLP C[C@H](CC[N@H+]1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000903942937 619842550 /nfs/dbraw/zinc/84/25/50/619842550.db2.gz YJVSBOYNSHQWMZ-CYBMUJFWSA-N 2 2 301.459 3.154 20 0 DGADLP C[C@]1(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904341493 619914637 /nfs/dbraw/zinc/91/46/37/619914637.db2.gz SEYPTQHWYFBWQW-JTQLQIEISA-N 2 2 318.305 3.193 20 0 DGADLP C[C@]1(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904341493 619914639 /nfs/dbraw/zinc/91/46/39/619914639.db2.gz SEYPTQHWYFBWQW-JTQLQIEISA-N 2 2 318.305 3.193 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc2cccnc12 ZINC000904462294 619922532 /nfs/dbraw/zinc/92/25/32/619922532.db2.gz UEMLOMJNEDJDFU-RTBURBONSA-N 2 2 303.409 3.258 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCCC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000906642677 620111143 /nfs/dbraw/zinc/11/11/43/620111143.db2.gz QIMLEJJTMOFECX-UHFFFAOYSA-N 2 2 317.477 3.393 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCCC[NH+]2CCCC2)c(C)[nH+]1 ZINC000908426929 620205749 /nfs/dbraw/zinc/20/57/49/620205749.db2.gz KEJAQYUTZVGCBT-UHFFFAOYSA-N 2 2 303.450 3.003 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+]C2CCCCCC2)c(C)[nH+]1 ZINC000911841063 620347706 /nfs/dbraw/zinc/34/77/06/620347706.db2.gz PRGZVLSCUMRTKE-UHFFFAOYSA-N 2 2 303.450 3.049 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)cc2)c[nH+]1 ZINC000921603707 620913069 /nfs/dbraw/zinc/91/30/69/620913069.db2.gz KZKSKAWBBWHVMR-KZNAEPCWSA-N 2 2 311.429 3.167 20 0 DGADLP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000922284220 621017786 /nfs/dbraw/zinc/01/77/86/621017786.db2.gz AUZJVNPNFCSKNG-SFNKJDCFSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000922284220 621017791 /nfs/dbraw/zinc/01/77/91/621017791.db2.gz AUZJVNPNFCSKNG-SFNKJDCFSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000857864773 621124951 /nfs/dbraw/zinc/12/49/51/621124951.db2.gz HWMYXIFVJRCPBU-QUCCMNQESA-N 2 2 324.472 3.289 20 0 DGADLP C[C@@]1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000857864773 621124954 /nfs/dbraw/zinc/12/49/54/621124954.db2.gz HWMYXIFVJRCPBU-QUCCMNQESA-N 2 2 324.472 3.289 20 0 DGADLP O=C(c1cc(F)ccc1F)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923305733 621174082 /nfs/dbraw/zinc/17/40/82/621174082.db2.gz FBFSLWQDVARYCP-UHFFFAOYSA-N 2 2 322.399 3.002 20 0 DGADLP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)sc1C(C)(C)C ZINC000923387985 621180917 /nfs/dbraw/zinc/18/09/17/621180917.db2.gz PUBNFEBMWHMIMZ-GUYCJALGSA-N 2 2 307.507 3.310 20 0 DGADLP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)sc1C(C)(C)C ZINC000923387985 621180919 /nfs/dbraw/zinc/18/09/19/621180919.db2.gz PUBNFEBMWHMIMZ-GUYCJALGSA-N 2 2 307.507 3.310 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2noc3c2CCCC3)cc1 ZINC000859215199 621261385 /nfs/dbraw/zinc/26/13/85/621261385.db2.gz YDRGIPPCCLOZGI-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2noc3c2CCCC3)cc1 ZINC000859215199 621261389 /nfs/dbraw/zinc/26/13/89/621261389.db2.gz YDRGIPPCCLOZGI-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000756925665 621673264 /nfs/dbraw/zinc/67/32/64/621673264.db2.gz FTXUSEZJCCELFR-BHYGNILZSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000756925665 621673266 /nfs/dbraw/zinc/67/32/66/621673266.db2.gz FTXUSEZJCCELFR-BHYGNILZSA-N 2 2 320.502 3.312 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@@H+]1C ZINC000865474713 621929793 /nfs/dbraw/zinc/92/97/93/621929793.db2.gz BOJJZYXTMOLMTR-CMPLNLGQSA-N 2 2 320.330 3.297 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC[N@H+]1C ZINC000865474713 621929797 /nfs/dbraw/zinc/92/97/97/621929797.db2.gz BOJJZYXTMOLMTR-CMPLNLGQSA-N 2 2 320.330 3.297 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)s1 ZINC000865829648 622002899 /nfs/dbraw/zinc/00/28/99/622002899.db2.gz DKGPHBQDHLCWTC-VXGBXAGGSA-N 2 2 319.396 3.191 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C3([C@H]4CCCCO4)CCC3)cc2)c[nH+]1 ZINC000865856971 622009460 /nfs/dbraw/zinc/00/94/60/622009460.db2.gz MRJXEWCUMDKYOI-GOSISDBHSA-N 2 2 311.429 3.454 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000866125452 622049449 /nfs/dbraw/zinc/04/94/49/622049449.db2.gz MJSCXHHAJSIYPT-UHFFFAOYSA-N 2 2 317.820 3.071 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866230093 622071014 /nfs/dbraw/zinc/07/10/14/622071014.db2.gz XBEVVJMVDSZJDH-GHMZBOCLSA-N 2 2 304.781 3.417 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000866230315 622071089 /nfs/dbraw/zinc/07/10/89/622071089.db2.gz ZJAQKDKZGDBFHH-HZPDHXFCSA-N 2 2 308.429 3.431 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476634 622077811 /nfs/dbraw/zinc/07/78/11/622077811.db2.gz OPNLVSCZKTXRGK-APWZRJJASA-N 2 2 324.472 3.050 20 0 DGADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762476634 622077815 /nfs/dbraw/zinc/07/78/15/622077815.db2.gz OPNLVSCZKTXRGK-APWZRJJASA-N 2 2 324.472 3.050 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000866277179 622083505 /nfs/dbraw/zinc/08/35/05/622083505.db2.gz JYIMYHQWYAJHAH-IRXDYDNUSA-N 2 2 311.473 3.487 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000866277179 622083507 /nfs/dbraw/zinc/08/35/07/622083507.db2.gz JYIMYHQWYAJHAH-IRXDYDNUSA-N 2 2 311.473 3.487 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866342506 622098064 /nfs/dbraw/zinc/09/80/64/622098064.db2.gz HJNKENPQNUOTSQ-CRAIPNDOSA-N 2 2 320.440 3.357 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866343500 622098345 /nfs/dbraw/zinc/09/83/45/622098345.db2.gz MWQFBJPNKQUGMK-QWRGUYRKSA-N 2 2 316.792 3.343 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+]1C ZINC000765454012 622266281 /nfs/dbraw/zinc/26/62/81/622266281.db2.gz WKUNRIXDVOTISU-QFBILLFUSA-N 3 2 307.526 3.103 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000765454012 622266283 /nfs/dbraw/zinc/26/62/83/622266283.db2.gz WKUNRIXDVOTISU-QFBILLFUSA-N 3 2 307.526 3.103 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000765730550 622284574 /nfs/dbraw/zinc/28/45/74/622284574.db2.gz NRYMIGBGHZUYMY-KRWDZBQOSA-N 2 2 304.482 3.305 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000765817023 622289126 /nfs/dbraw/zinc/28/91/26/622289126.db2.gz ZXBQDYABUIUXQI-ARFHVFGLSA-N 2 2 307.482 3.480 20 0 DGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000765817024 622289445 /nfs/dbraw/zinc/28/94/45/622289445.db2.gz ZXBQDYABUIUXQI-BZUAXINKSA-N 2 2 307.482 3.480 20 0 DGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000765817025 622289542 /nfs/dbraw/zinc/28/95/42/622289542.db2.gz ZXBQDYABUIUXQI-HRCADAONSA-N 2 2 307.482 3.480 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000766437063 622329664 /nfs/dbraw/zinc/32/96/64/622329664.db2.gz CYSKAKRVOFFFGK-QAPCUYQASA-N 2 2 322.518 3.043 20 0 DGADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000806144645 622380126 /nfs/dbraw/zinc/38/01/26/622380126.db2.gz SNVMSQXZMWIWGL-ZDUSSCGKSA-N 2 2 302.809 3.209 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000122979857 622439096 /nfs/dbraw/zinc/43/90/96/622439096.db2.gz YHXCUCOMVZCCRD-HOTGVXAUSA-N 2 2 320.477 3.099 20 0 DGADLP C[N@H+](CC(F)F)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000771154351 622721733 /nfs/dbraw/zinc/72/17/33/622721733.db2.gz LEYYBGXOPVNJCS-UHFFFAOYSA-N 2 2 305.372 3.401 20 0 DGADLP C[N@@H+](CC(F)F)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000771154351 622721735 /nfs/dbraw/zinc/72/17/35/622721735.db2.gz LEYYBGXOPVNJCS-UHFFFAOYSA-N 2 2 305.372 3.401 20 0 DGADLP c1cc(CNc2ccc3c([nH+]2)CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000871865420 622722183 /nfs/dbraw/zinc/72/21/83/622722183.db2.gz YUUQRNYQPUNHGT-UHFFFAOYSA-N 2 2 305.385 3.153 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871877215 622726116 /nfs/dbraw/zinc/72/61/16/622726116.db2.gz BPQJFKMLQFVPDL-SFHVURJKSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)nc2C)cn1 ZINC000771384113 622750846 /nfs/dbraw/zinc/75/08/46/622750846.db2.gz NFMQVXBBWKEATO-AWEZNQCLSA-N 2 2 321.428 3.438 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)nc1 ZINC000771387461 622751862 /nfs/dbraw/zinc/75/18/62/622751862.db2.gz DVCNNBPBUWMDMN-CJNGLKHVSA-N 2 2 323.868 3.029 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)nc1 ZINC000771387465 622751987 /nfs/dbraw/zinc/75/19/87/622751987.db2.gz DVCNNBPBUWMDMN-CZUORRHYSA-N 2 2 323.868 3.029 20 0 DGADLP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000872022452 622757079 /nfs/dbraw/zinc/75/70/79/622757079.db2.gz XBSIIOJAQILIDT-CRAIPNDOSA-N 2 2 319.424 3.037 20 0 DGADLP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462068 622763142 /nfs/dbraw/zinc/76/31/42/622763142.db2.gz HRNBOQZKLVJOLY-PXNSSMCTSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462068 622763148 /nfs/dbraw/zinc/76/31/48/622763148.db2.gz HRNBOQZKLVJOLY-PXNSSMCTSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462068 622763153 /nfs/dbraw/zinc/76/31/53/622763153.db2.gz HRNBOQZKLVJOLY-PXNSSMCTSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462068 622763159 /nfs/dbraw/zinc/76/31/59/622763159.db2.gz HRNBOQZKLVJOLY-PXNSSMCTSA-N 2 2 324.468 3.099 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H]2CCOC3(CCCC3)C2)[nH+]c1 ZINC000872030668 622763278 /nfs/dbraw/zinc/76/32/78/622763278.db2.gz AKSPZISMOOTFIS-MRXNPFEDSA-N 2 2 303.450 3.355 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000872087531 622798494 /nfs/dbraw/zinc/79/84/94/622798494.db2.gz JFFWVWASTNJFFS-FUHWJXTLSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000872087531 622798498 /nfs/dbraw/zinc/79/84/98/622798498.db2.gz JFFWVWASTNJFFS-FUHWJXTLSA-N 2 2 306.494 3.475 20 0 DGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872155171 622835055 /nfs/dbraw/zinc/83/50/55/622835055.db2.gz FOMBXZNQXBXJIY-HNNXBMFYSA-N 2 2 312.841 3.005 20 0 DGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155171 622835060 /nfs/dbraw/zinc/83/50/60/622835060.db2.gz FOMBXZNQXBXJIY-HNNXBMFYSA-N 2 2 312.841 3.005 20 0 DGADLP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158644 622840747 /nfs/dbraw/zinc/84/07/47/622840747.db2.gz WKUPHJLLSYCTJB-XJKSGUPXSA-N 2 2 318.465 3.067 20 0 DGADLP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158644 622840753 /nfs/dbraw/zinc/84/07/53/622840753.db2.gz WKUPHJLLSYCTJB-XJKSGUPXSA-N 2 2 318.465 3.067 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000872669289 622949874 /nfs/dbraw/zinc/94/98/74/622949874.db2.gz FIWSRINFJSTCHB-UHFFFAOYSA-N 2 2 314.477 3.417 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000773067683 622976756 /nfs/dbraw/zinc/97/67/56/622976756.db2.gz YCGLUKPBIMPQBU-GOSISDBHSA-N 2 2 316.493 3.421 20 0 DGADLP c1[nH]nc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000773067683 622976764 /nfs/dbraw/zinc/97/67/64/622976764.db2.gz YCGLUKPBIMPQBU-GOSISDBHSA-N 2 2 316.493 3.421 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000873195134 623070165 /nfs/dbraw/zinc/07/01/65/623070165.db2.gz XZYSCXJUCFZIKC-VQTJNVASSA-N 2 2 321.424 3.474 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000873195132 623070369 /nfs/dbraw/zinc/07/03/69/623070369.db2.gz XZYSCXJUCFZIKC-UXHICEINSA-N 2 2 321.424 3.474 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000873223139 623080124 /nfs/dbraw/zinc/08/01/24/623080124.db2.gz IFSMTBFJCGMRAX-LJQANCHMSA-N 2 2 312.461 3.274 20 0 DGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000873223139 623080130 /nfs/dbraw/zinc/08/01/30/623080130.db2.gz IFSMTBFJCGMRAX-LJQANCHMSA-N 2 2 312.461 3.274 20 0 DGADLP c1cc(COc2ccc(C[NH2+][C@]34CCC[C@@H]3[NH2+]CC4)cc2)ccn1 ZINC000873229616 623082608 /nfs/dbraw/zinc/08/26/08/623082608.db2.gz CRDWGJKPNHFQTB-PMACEKPBSA-N 2 2 323.440 3.035 20 0 DGADLP FC(F)(F)COc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873229627 623083002 /nfs/dbraw/zinc/08/30/02/623083002.db2.gz CUDDRMNTFAUALM-LSDHHAIUSA-N 2 2 314.351 3.002 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000873236058 623087167 /nfs/dbraw/zinc/08/71/67/623087167.db2.gz WURHLUGYPAXRMB-XJKSGUPXSA-N 2 2 315.461 3.000 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)o1 ZINC000774184857 623117533 /nfs/dbraw/zinc/11/75/33/623117533.db2.gz DNLRTMNSFVDIAK-RHSMWYFYSA-N 2 2 306.450 3.190 20 0 DGADLP CC[NH+](CC)CC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876576636 623649428 /nfs/dbraw/zinc/64/94/28/623649428.db2.gz OOZWXHMBVQUFSW-UHFFFAOYSA-N 2 2 301.887 3.350 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620973 623662141 /nfs/dbraw/zinc/66/21/41/623662141.db2.gz UPYPTHAZOFRLFY-AWEZNQCLSA-N 2 2 303.381 3.327 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620973 623662146 /nfs/dbraw/zinc/66/21/46/623662146.db2.gz UPYPTHAZOFRLFY-AWEZNQCLSA-N 2 2 303.381 3.327 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)c2)[nH+]c1C ZINC000876736794 623692105 /nfs/dbraw/zinc/69/21/05/623692105.db2.gz NHRDMFSWNLZFDX-APWZRJJASA-N 2 2 324.428 3.164 20 0 DGADLP Clc1ccc2sc(C[NH2+]CCCn3cc[nH+]c3)cc2n1 ZINC000876885627 623736420 /nfs/dbraw/zinc/73/64/20/623736420.db2.gz NCCJUGSNECHXGF-UHFFFAOYSA-N 2 2 306.822 3.326 20 0 DGADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000876892161 623738123 /nfs/dbraw/zinc/73/81/23/623738123.db2.gz LMNYXNRGYDQGBC-UHFFFAOYSA-N 2 2 316.405 3.020 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000876931101 623746794 /nfs/dbraw/zinc/74/67/94/623746794.db2.gz IVBKBWNQFGWHSZ-AVYPCKFXSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000876931101 623746798 /nfs/dbraw/zinc/74/67/98/623746798.db2.gz IVBKBWNQFGWHSZ-AVYPCKFXSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000876931102 623747075 /nfs/dbraw/zinc/74/70/75/623747075.db2.gz IVBKBWNQFGWHSZ-MDOVXXIYSA-N 2 2 304.415 3.031 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000876931102 623747079 /nfs/dbraw/zinc/74/70/79/623747079.db2.gz IVBKBWNQFGWHSZ-MDOVXXIYSA-N 2 2 304.415 3.031 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000877075503 623785261 /nfs/dbraw/zinc/78/52/61/623785261.db2.gz DVSFGAXVZVMMJJ-FUHWJXTLSA-N 2 2 322.518 3.009 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc2c(F)cccc2c1 ZINC000877496230 623912213 /nfs/dbraw/zinc/91/22/13/623912213.db2.gz PCNWXYJYHWMXLM-UHFFFAOYSA-N 2 2 301.409 3.292 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2c(F)cccc2c1 ZINC000877496230 623912217 /nfs/dbraw/zinc/91/22/17/623912217.db2.gz PCNWXYJYHWMXLM-UHFFFAOYSA-N 2 2 301.409 3.292 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000877619409 623965148 /nfs/dbraw/zinc/96/51/48/623965148.db2.gz YIUKJHCHHXWSLJ-CMBDLQSPSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000877619409 623965150 /nfs/dbraw/zinc/96/51/50/623965150.db2.gz YIUKJHCHHXWSLJ-CMBDLQSPSA-N 2 2 316.426 3.316 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743188 624016753 /nfs/dbraw/zinc/01/67/53/624016753.db2.gz ITEKGOLESOFXJN-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC(C)C ZINC000877743188 624016756 /nfs/dbraw/zinc/01/67/56/624016756.db2.gz ITEKGOLESOFXJN-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC(C)C ZINC000877743188 624016759 /nfs/dbraw/zinc/01/67/59/624016759.db2.gz ITEKGOLESOFXJN-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1OC(C)C ZINC000877743188 624016762 /nfs/dbraw/zinc/01/67/62/624016762.db2.gz ITEKGOLESOFXJN-IAGOWNOFSA-N 2 2 318.461 3.008 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000877795696 624037390 /nfs/dbraw/zinc/03/73/90/624037390.db2.gz SRILJKVDBVXMSV-UHFFFAOYSA-N 2 2 312.461 3.403 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781417063 624067979 /nfs/dbraw/zinc/06/79/79/624067979.db2.gz RNPVREOOSQULRF-ZFWWWQNUSA-N 2 2 307.869 3.478 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781417063 624067981 /nfs/dbraw/zinc/06/79/81/624067981.db2.gz RNPVREOOSQULRF-ZFWWWQNUSA-N 2 2 307.869 3.478 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258850 624229015 /nfs/dbraw/zinc/22/90/15/624229015.db2.gz VWBLSUKRGQDFFW-SMDDNHRTSA-N 2 2 304.356 3.461 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258850 624229018 /nfs/dbraw/zinc/22/90/18/624229018.db2.gz VWBLSUKRGQDFFW-SMDDNHRTSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258850 624229019 /nfs/dbraw/zinc/22/90/19/624229019.db2.gz VWBLSUKRGQDFFW-SMDDNHRTSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)[C@@H](C)C1 ZINC000878258850 624229021 /nfs/dbraw/zinc/22/90/21/624229021.db2.gz VWBLSUKRGQDFFW-SMDDNHRTSA-N 2 2 304.356 3.461 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc3c(o2)CCCC3)cc1 ZINC000878314791 624244049 /nfs/dbraw/zinc/24/40/49/624244049.db2.gz VTVBTAWWICSXCF-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc3c(o2)CCCC3)cc1 ZINC000878314791 624244052 /nfs/dbraw/zinc/24/40/52/624244052.db2.gz VTVBTAWWICSXCF-UHFFFAOYSA-N 2 2 313.445 3.247 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)c[nH+]1 ZINC000878402501 624268809 /nfs/dbraw/zinc/26/88/09/624268809.db2.gz KRFFCRIFRCZBMC-QYZOEREBSA-N 2 2 317.477 3.333 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878513116 624295208 /nfs/dbraw/zinc/29/52/08/624295208.db2.gz VEWZPZSRZRAWHQ-ZWKOTPCHSA-N 2 2 317.477 3.128 20 0 DGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878513116 624295211 /nfs/dbraw/zinc/29/52/11/624295211.db2.gz VEWZPZSRZRAWHQ-ZWKOTPCHSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)nc1Cl ZINC000878518674 624297086 /nfs/dbraw/zinc/29/70/86/624297086.db2.gz OQHARQXXEVZDQV-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)nc1Cl ZINC000878518674 624297088 /nfs/dbraw/zinc/29/70/88/624297088.db2.gz OQHARQXXEVZDQV-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000783244790 624330094 /nfs/dbraw/zinc/33/00/94/624330094.db2.gz WCSZHADGLFNTEJ-MJGOQNOKSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000783244790 624330095 /nfs/dbraw/zinc/33/00/95/624330095.db2.gz WCSZHADGLFNTEJ-MJGOQNOKSA-N 2 2 304.478 3.302 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572537 624596265 /nfs/dbraw/zinc/59/62/65/624596265.db2.gz YPHZBVIDFBLILE-RDTXWAMCSA-N 2 2 315.392 3.007 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572537 624596271 /nfs/dbraw/zinc/59/62/71/624596271.db2.gz YPHZBVIDFBLILE-RDTXWAMCSA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572537 624596272 /nfs/dbraw/zinc/59/62/72/624596272.db2.gz YPHZBVIDFBLILE-RDTXWAMCSA-N 2 2 315.392 3.007 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC[C@H]21 ZINC000879572537 624596273 /nfs/dbraw/zinc/59/62/73/624596273.db2.gz YPHZBVIDFBLILE-RDTXWAMCSA-N 2 2 315.392 3.007 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2)n1 ZINC000880137277 624801325 /nfs/dbraw/zinc/80/13/25/624801325.db2.gz AXNRBVWIAYEXLG-VQTJNVASSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH+]3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2)n1 ZINC000880137277 624801327 /nfs/dbraw/zinc/80/13/27/624801327.db2.gz AXNRBVWIAYEXLG-VQTJNVASSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4[C@H]3CCC[NH+]4C)cc2)n1 ZINC000880137277 624801330 /nfs/dbraw/zinc/80/13/30/624801330.db2.gz AXNRBVWIAYEXLG-VQTJNVASSA-N 2 2 324.472 3.158 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4[C@H]3CCC[NH+]4C)cc2)n1 ZINC000880137277 624801333 /nfs/dbraw/zinc/80/13/33/624801333.db2.gz AXNRBVWIAYEXLG-VQTJNVASSA-N 2 2 324.472 3.158 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142447 624807008 /nfs/dbraw/zinc/80/70/08/624807008.db2.gz OLIRHQKIWVGUDG-AQNXPRMDSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142447 624807010 /nfs/dbraw/zinc/80/70/10/624807010.db2.gz OLIRHQKIWVGUDG-AQNXPRMDSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142447 624807013 /nfs/dbraw/zinc/80/70/13/624807013.db2.gz OLIRHQKIWVGUDG-AQNXPRMDSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)c1cccc2ccccc21 ZINC000880142447 624807015 /nfs/dbraw/zinc/80/70/15/624807015.db2.gz OLIRHQKIWVGUDG-AQNXPRMDSA-N 2 2 310.441 3.042 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000880255166 624871176 /nfs/dbraw/zinc/87/11/76/624871176.db2.gz CEGNCFGJUREWTG-CQSZACIVSA-N 2 2 322.415 3.030 20 0 DGADLP Cc1noc(C)c1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568813 624979419 /nfs/dbraw/zinc/97/94/19/624979419.db2.gz DBXSIHYWCBEMQY-SFHVURJKSA-N 2 2 310.401 3.062 20 0 DGADLP Cc1cccc(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000880570898 624980159 /nfs/dbraw/zinc/98/01/59/624980159.db2.gz ZPUGTGMHBVWSDZ-LJQANCHMSA-N 2 2 306.413 3.160 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000788483568 625193764 /nfs/dbraw/zinc/19/37/64/625193764.db2.gz SVDPHRKTNMWAOL-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000788483568 625193767 /nfs/dbraw/zinc/19/37/67/625193767.db2.gz SVDPHRKTNMWAOL-KRWDZBQOSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612743 625229681 /nfs/dbraw/zinc/22/96/81/625229681.db2.gz VGJFCJRYXHVXBA-QAPCUYQASA-N 2 2 311.429 3.102 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788612743 625229683 /nfs/dbraw/zinc/22/96/83/625229683.db2.gz VGJFCJRYXHVXBA-QAPCUYQASA-N 2 2 311.429 3.102 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000798491868 626220289 /nfs/dbraw/zinc/22/02/89/626220289.db2.gz NFUWWDPWKVLLFT-INIZCTEOSA-N 2 2 303.454 3.173 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000798928442 626260372 /nfs/dbraw/zinc/26/03/72/626260372.db2.gz AOQJFJOYDUDSMJ-KURKYZTESA-N 2 2 301.478 3.490 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000798928442 626260374 /nfs/dbraw/zinc/26/03/74/626260374.db2.gz AOQJFJOYDUDSMJ-KURKYZTESA-N 2 2 301.478 3.490 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](c4ccccn4)C3)cc2)c[nH+]1 ZINC000798963980 626263924 /nfs/dbraw/zinc/26/39/24/626263924.db2.gz HMTYKUDUAFYUAF-KRWDZBQOSA-N 2 2 304.397 3.257 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](c4ccccn4)C3)cc2)c[nH+]1 ZINC000798963980 626263926 /nfs/dbraw/zinc/26/39/26/626263926.db2.gz HMTYKUDUAFYUAF-KRWDZBQOSA-N 2 2 304.397 3.257 20 0 DGADLP COCCC[C@H](C)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883346687 626655599 /nfs/dbraw/zinc/65/55/99/626655599.db2.gz FETKACYLTLHDHU-QFBILLFUSA-N 2 2 317.477 3.198 20 0 DGADLP COCCC[C@H](C)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883346687 626655602 /nfs/dbraw/zinc/65/56/02/626655602.db2.gz FETKACYLTLHDHU-QFBILLFUSA-N 2 2 317.477 3.198 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386755 626668472 /nfs/dbraw/zinc/66/84/72/626668472.db2.gz MINCYXNLKIHMHL-MAUKXSAKSA-N 2 2 309.417 3.192 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386637 626668688 /nfs/dbraw/zinc/66/86/88/626668688.db2.gz KDSNYRBROUTFEX-ROUUACIJSA-N 2 2 321.428 3.025 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883387187 626668819 /nfs/dbraw/zinc/66/88/19/626668819.db2.gz SRKUJYWOIXLIKY-HNAYVOBHSA-N 2 2 321.428 3.382 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386638 626668836 /nfs/dbraw/zinc/66/88/36/626668836.db2.gz KDSNYRBROUTFEX-ZWKOTPCHSA-N 2 2 321.428 3.025 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387825 626669690 /nfs/dbraw/zinc/66/96/90/626669690.db2.gz FYYRNDSNNQDVJY-FHWLQOOXSA-N 2 2 313.445 3.419 20 0 DGADLP Cc1ccncc1CCC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000809608153 626925200 /nfs/dbraw/zinc/92/52/00/626925200.db2.gz IVJIIXHJZXJXQV-QGZVFWFLSA-N 2 2 300.450 3.224 20 0 DGADLP CCC1([NH+]2CCC2)CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000884716676 626934693 /nfs/dbraw/zinc/93/46/93/626934693.db2.gz FYFSASILUUXXOF-UHFFFAOYSA-N 2 2 310.445 3.272 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1O ZINC000810211482 626988368 /nfs/dbraw/zinc/98/83/68/626988368.db2.gz RXRBJKWEXPWUMG-GUYCJALGSA-N 2 2 317.433 3.363 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000885941418 627065148 /nfs/dbraw/zinc/06/51/48/627065148.db2.gz ALOGVEKUAYKEDT-JKSUJKDBSA-N 2 2 317.408 3.449 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000886122731 627108947 /nfs/dbraw/zinc/10/89/47/627108947.db2.gz IXMOHVWHCGTKPG-KYNGSXCRSA-N 2 2 311.429 3.481 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164397 627115867 /nfs/dbraw/zinc/11/58/67/627115867.db2.gz JVUBPFWDZBECFJ-RKOGWWSCSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000886164397 627115868 /nfs/dbraw/zinc/11/58/68/627115868.db2.gz JVUBPFWDZBECFJ-RKOGWWSCSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ncco1 ZINC000886275617 627129418 /nfs/dbraw/zinc/12/94/18/627129418.db2.gz HBGSJNFEKSPFHC-OAHLLOKOSA-N 2 2 315.417 3.000 20 0 DGADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000886526127 627157229 /nfs/dbraw/zinc/15/72/29/627157229.db2.gz FRZUSXVUVDSION-OIISXLGYSA-N 2 2 318.461 3.047 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886636029 627178088 /nfs/dbraw/zinc/17/80/88/627178088.db2.gz DXBQMWDQQUTPHJ-TVRKMHQQSA-N 3 2 307.526 3.246 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886636029 627178091 /nfs/dbraw/zinc/17/80/91/627178091.db2.gz DXBQMWDQQUTPHJ-TVRKMHQQSA-N 3 2 307.526 3.246 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641254 627178576 /nfs/dbraw/zinc/17/85/76/627178576.db2.gz DOFLLAMNICQQPK-ZWKOTPCHSA-N 2 2 304.482 3.114 20 0 DGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cnn(C)c1 ZINC000886641254 627178578 /nfs/dbraw/zinc/17/85/78/627178578.db2.gz DOFLLAMNICQQPK-ZWKOTPCHSA-N 2 2 304.482 3.114 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@H]2CCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000886652103 627181529 /nfs/dbraw/zinc/18/15/29/627181529.db2.gz ZWTZDBRSMCRSPQ-ZWKOTPCHSA-N 2 2 304.397 3.297 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)[nH+]c1C ZINC000886659787 627182290 /nfs/dbraw/zinc/18/22/90/627182290.db2.gz VJVKOUNCRHDZCC-UHFFFAOYSA-N 2 2 317.462 3.135 20 0 DGADLP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000886693452 627192483 /nfs/dbraw/zinc/19/24/83/627192483.db2.gz BCKOROQOFKUMFU-ZBSOERELSA-N 2 2 313.489 3.174 20 0 DGADLP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000886693452 627192485 /nfs/dbraw/zinc/19/24/85/627192485.db2.gz BCKOROQOFKUMFU-ZBSOERELSA-N 2 2 313.489 3.174 20 0 DGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134106 627227947 /nfs/dbraw/zinc/22/79/47/627227947.db2.gz CBKBJETWVVMJSP-LSDHHAIUSA-N 2 2 322.412 3.495 20 0 DGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134106 627227949 /nfs/dbraw/zinc/22/79/49/627227949.db2.gz CBKBJETWVVMJSP-LSDHHAIUSA-N 2 2 322.412 3.495 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3(C4CC4)CCC3)C2)cc1 ZINC000887148713 627229813 /nfs/dbraw/zinc/22/98/13/627229813.db2.gz QNJZNAYNVYXRJV-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3(C4CC4)CCC3)C2)cc1 ZINC000887148713 627229814 /nfs/dbraw/zinc/22/98/14/627229814.db2.gz QNJZNAYNVYXRJV-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP Cn1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000813789297 627511521 /nfs/dbraw/zinc/51/15/21/627511521.db2.gz OQMMFXZTHWAWAE-CTXDPNEZSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000813789297 627511524 /nfs/dbraw/zinc/51/15/24/627511524.db2.gz OQMMFXZTHWAWAE-CTXDPNEZSA-N 2 2 324.472 3.095 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000813784746 627511616 /nfs/dbraw/zinc/51/16/16/627511616.db2.gz QEKGFSDAYREKOJ-ZDUSSCGKSA-N 2 2 320.868 3.121 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C1 ZINC000815117869 627628983 /nfs/dbraw/zinc/62/89/83/627628983.db2.gz WECWEWQFVKMEHF-OKZBNKHCSA-N 2 2 324.509 3.353 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924574374 627650250 /nfs/dbraw/zinc/65/02/50/627650250.db2.gz CZZYBYNGHUYLKT-FUHWJXTLSA-N 2 2 312.461 3.033 20 0 DGADLP c1nc2ccccc2n1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924574374 627650253 /nfs/dbraw/zinc/65/02/53/627650253.db2.gz CZZYBYNGHUYLKT-FUHWJXTLSA-N 2 2 312.461 3.033 20 0 DGADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924626475 627659219 /nfs/dbraw/zinc/65/92/19/627659219.db2.gz WBTFPMYJZIGTHU-OALUTQOASA-N 2 2 315.461 3.351 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924675759 627665621 /nfs/dbraw/zinc/66/56/21/627665621.db2.gz UZJWLXVTNMKGTQ-AOIWGVFYSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924675759 627665622 /nfs/dbraw/zinc/66/56/22/627665622.db2.gz UZJWLXVTNMKGTQ-AOIWGVFYSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000924684344 627667401 /nfs/dbraw/zinc/66/74/01/627667401.db2.gz DZRMMGRLDHCXGV-GUDVDZBRSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000924684344 627667403 /nfs/dbraw/zinc/66/74/03/627667403.db2.gz DZRMMGRLDHCXGV-GUDVDZBRSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000924684344 627667406 /nfs/dbraw/zinc/66/74/06/627667406.db2.gz DZRMMGRLDHCXGV-GUDVDZBRSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000924684344 627667408 /nfs/dbraw/zinc/66/74/08/627667408.db2.gz DZRMMGRLDHCXGV-GUDVDZBRSA-N 3 2 307.526 3.105 20 0 DGADLP Clc1ccnc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924841347 627686320 /nfs/dbraw/zinc/68/63/20/627686320.db2.gz BRYICEADPQLBBA-MRXNPFEDSA-N 2 2 305.853 3.329 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924885035 627690149 /nfs/dbraw/zinc/69/01/49/627690149.db2.gz BLNCMSSHHFNTOI-GDBMZVCRSA-N 2 2 312.461 3.111 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925011450 627701095 /nfs/dbraw/zinc/70/10/95/627701095.db2.gz QGXGHWCLAYFQLA-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011450 627701100 /nfs/dbraw/zinc/70/11/00/627701100.db2.gz QGXGHWCLAYFQLA-PXNSSMCTSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925011446 627701203 /nfs/dbraw/zinc/70/12/03/627701203.db2.gz QGXGHWCLAYFQLA-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011446 627701207 /nfs/dbraw/zinc/70/12/07/627701207.db2.gz QGXGHWCLAYFQLA-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198013 627718154 /nfs/dbraw/zinc/71/81/54/627718154.db2.gz QMEBDSUFDYMJOK-RXVVDRJESA-N 2 2 323.484 3.167 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2)Cc2cccnc2)C1 ZINC000925198013 627718156 /nfs/dbraw/zinc/71/81/56/627718156.db2.gz QMEBDSUFDYMJOK-RXVVDRJESA-N 2 2 323.484 3.167 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925267796 627726188 /nfs/dbraw/zinc/72/61/88/627726188.db2.gz GDMDVWNLRYMRJP-OJAHFUOMSA-N 2 2 316.489 3.148 20 0 DGADLP C[C@H](O)C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000925267796 627726191 /nfs/dbraw/zinc/72/61/91/627726191.db2.gz GDMDVWNLRYMRJP-OJAHFUOMSA-N 2 2 316.489 3.148 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000925512880 627745036 /nfs/dbraw/zinc/74/50/36/627745036.db2.gz CSHVKPDNLFQEBX-XIRDDKMYSA-N 3 2 312.461 3.429 20 0 DGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000925515559 627745406 /nfs/dbraw/zinc/74/54/06/627745406.db2.gz UKIGCVKLBCCELU-VKJFTORMSA-N 2 2 304.478 3.293 20 0 DGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000925515559 627745410 /nfs/dbraw/zinc/74/54/10/627745410.db2.gz UKIGCVKLBCCELU-VKJFTORMSA-N 2 2 304.478 3.293 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(-c2ccncc2)cc1 ZINC000925526208 627747587 /nfs/dbraw/zinc/74/75/87/627747587.db2.gz HIKWEZHEQXYKGK-IZMLPPOZSA-N 2 2 319.452 3.396 20 0 DGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000925606360 627761501 /nfs/dbraw/zinc/76/15/01/627761501.db2.gz NKKUZSHURRWUMN-DNVCBOLYSA-N 2 2 314.429 3.227 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000925621573 627764501 /nfs/dbraw/zinc/76/45/01/627764501.db2.gz IQVRWSUZRYFYCZ-GBESFXJTSA-N 3 2 324.472 3.101 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000925638798 627767134 /nfs/dbraw/zinc/76/71/34/627767134.db2.gz GDGGFFOHLXONPP-ZEXAPNKDSA-N 2 2 324.468 3.495 20 0 DGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)OC(C)C ZINC000925640916 627767450 /nfs/dbraw/zinc/76/74/50/627767450.db2.gz KHDZHAVKVABFPC-ZWKOTPCHSA-N 2 2 318.461 3.036 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925640551 627767650 /nfs/dbraw/zinc/76/76/50/627767650.db2.gz SFEMJNRYZLWKFX-CWFSZBLJSA-N 2 2 310.441 3.117 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000925640553 627767772 /nfs/dbraw/zinc/76/77/72/627767772.db2.gz SFEMJNRYZLWKFX-YSSFQJQWSA-N 2 2 310.441 3.117 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000925647708 627769611 /nfs/dbraw/zinc/76/96/11/627769611.db2.gz FXDIWMQKCHYUBQ-WOJBJXKFSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000925647708 627769615 /nfs/dbraw/zinc/76/96/15/627769615.db2.gz FXDIWMQKCHYUBQ-WOJBJXKFSA-N 2 2 324.472 3.194 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925650788 627770269 /nfs/dbraw/zinc/77/02/69/627770269.db2.gz YLCAQYXAGDHLRY-BVGQSLNGSA-N 2 2 314.429 3.308 20 0 DGADLP C[C@@H](C1CCC(F)(F)CC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750797 627787160 /nfs/dbraw/zinc/78/71/60/627787160.db2.gz HPCGOZYOYLXNRC-JTQLQIEISA-N 2 2 315.433 3.174 20 0 DGADLP C[C@@H](C1CCC(F)(F)CC1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750797 627787163 /nfs/dbraw/zinc/78/71/63/627787163.db2.gz HPCGOZYOYLXNRC-JTQLQIEISA-N 2 2 315.433 3.174 20 0 DGADLP CC[C@@H](c1cccc(C)c1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925753033 627788530 /nfs/dbraw/zinc/78/85/30/627788530.db2.gz ZPJVQDCCLRXAHP-HNNXBMFYSA-N 2 2 301.459 3.420 20 0 DGADLP CC[C@@H](c1cccc(C)c1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925753033 627788531 /nfs/dbraw/zinc/78/85/31/627788531.db2.gz ZPJVQDCCLRXAHP-HNNXBMFYSA-N 2 2 301.459 3.420 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000925759784 627789741 /nfs/dbraw/zinc/78/97/41/627789741.db2.gz LRRFRARYZZAMNB-HKUYNNGSSA-N 3 2 315.505 3.100 20 0 DGADLP CCC1([NH3+])CC[NH+]([C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000925759784 627789744 /nfs/dbraw/zinc/78/97/44/627789744.db2.gz LRRFRARYZZAMNB-HKUYNNGSSA-N 3 2 315.505 3.100 20 0 DGADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000925773355 627793106 /nfs/dbraw/zinc/79/31/06/627793106.db2.gz XWIOBOTYNJUHGC-KZNAEPCWSA-N 3 2 312.461 3.120 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C)c1 ZINC000925792721 627796161 /nfs/dbraw/zinc/79/61/61/627796161.db2.gz PRCFLBHJJSXYHD-MSOLQXFVSA-N 2 2 302.462 3.194 20 0 DGADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793903 627796836 /nfs/dbraw/zinc/79/68/36/627796836.db2.gz JOQOHVHOQOTEJL-OALUTQOASA-N 2 2 316.489 3.448 20 0 DGADLP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801040 627796989 /nfs/dbraw/zinc/79/69/89/627796989.db2.gz YVPDKFMYHNWUAP-OALUTQOASA-N 2 2 314.473 3.276 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc2ncccc2c1)c1ccccc1 ZINC000925815521 627799798 /nfs/dbraw/zinc/79/97/98/627799798.db2.gz XSENJXCPODMNRS-QRWLVFNGSA-N 2 2 305.425 3.455 20 0 DGADLP c1ccc([C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccn2)cc1 ZINC000925846560 627806100 /nfs/dbraw/zinc/80/61/00/627806100.db2.gz QCNRUENCNQQWIR-HSALFYBXSA-N 2 2 307.441 3.293 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(-c2ccccc2)no1 ZINC000926223817 627865112 /nfs/dbraw/zinc/86/51/12/627865112.db2.gz FMEWMKJUGIFMBW-DZGCQCFKSA-N 2 2 308.385 3.204 20 0 DGADLP CC(C)(C[NH2+][C@H]1CCc2c1nccc2Cl)C[NH+]1CCCC1 ZINC000926276079 627872685 /nfs/dbraw/zinc/87/26/85/627872685.db2.gz SWDPHYBTTNPISF-HNNXBMFYSA-N 2 2 307.869 3.434 20 0 DGADLP COCCc1cc[nH+]c(NC2CC[NH+](CCC(C)C)CC2)c1 ZINC000926409233 627891472 /nfs/dbraw/zinc/89/14/72/627891472.db2.gz KQVKLROVRLMSOI-UHFFFAOYSA-N 2 2 305.466 3.193 20 0 DGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ncccc1Cl ZINC000926451366 627898250 /nfs/dbraw/zinc/89/82/50/627898250.db2.gz ZBQNAVSRJULVDL-FZMZJTMJSA-N 2 2 304.825 3.446 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cccnc2)cc1 ZINC000926451253 627898393 /nfs/dbraw/zinc/89/83/93/627898393.db2.gz YUIMMPCKVBTGCN-FXAWDEMLSA-N 2 2 318.424 3.350 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000926597871 627920319 /nfs/dbraw/zinc/92/03/19/627920319.db2.gz CQMJDISZNOEWBW-IBGZPJMESA-N 2 2 302.462 3.358 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000817576741 627923212 /nfs/dbraw/zinc/92/32/12/627923212.db2.gz VWUYRGHPSDESAY-WMZOPIPTSA-N 2 2 312.461 3.230 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1coc2ccccc12 ZINC000926718745 627939387 /nfs/dbraw/zinc/93/93/87/627939387.db2.gz MZXHGZKYXZCBES-GDBMZVCRSA-N 2 2 314.429 3.337 20 0 DGADLP C([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746744 627945860 /nfs/dbraw/zinc/94/58/60/627945860.db2.gz SZFLKEMJRUKSIQ-UHOSZYNNSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746744 627945863 /nfs/dbraw/zinc/94/58/63/627945863.db2.gz SZFLKEMJRUKSIQ-UHOSZYNNSA-N 2 2 306.494 3.188 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1OC(C)C ZINC000817901207 627957042 /nfs/dbraw/zinc/95/70/42/627957042.db2.gz UBQJULVXBJAYST-ZDUSSCGKSA-N 2 2 315.417 3.141 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817906039 627958066 /nfs/dbraw/zinc/95/80/66/627958066.db2.gz SHNFIQDFBHOMAY-GDLCADMTSA-N 2 2 317.260 3.147 20 0 DGADLP CC[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906391 627958694 /nfs/dbraw/zinc/95/86/94/627958694.db2.gz ZLDCGLVCKGXRKY-IHRRRGAJSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000817924808 627963099 /nfs/dbraw/zinc/96/30/99/627963099.db2.gz KAJKLDRQTQZXRX-CDHQVMDDSA-N 2 2 310.441 3.117 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817924814 627963263 /nfs/dbraw/zinc/96/32/63/627963263.db2.gz KAJKLDRQTQZXRX-YSSFQJQWSA-N 2 2 310.441 3.117 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817949683 627972098 /nfs/dbraw/zinc/97/20/98/627972098.db2.gz MIKGDCGRYJJTAT-KOLCDFICSA-N 2 2 302.249 3.368 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000817959461 627974706 /nfs/dbraw/zinc/97/47/06/627974706.db2.gz RNCHAOFBXNHKDL-HNAYVOBHSA-N 2 2 312.461 3.431 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000817960585 627975870 /nfs/dbraw/zinc/97/58/70/627975870.db2.gz ORABGEVMQKWXKN-SECBINFHSA-N 2 2 318.234 3.151 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1SC(C)(C)C ZINC000817984258 627983808 /nfs/dbraw/zinc/98/38/08/627983808.db2.gz WYMFVCAJYRWTAG-KGLIPLIRSA-N 2 2 308.491 3.216 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959245 627990015 /nfs/dbraw/zinc/99/00/15/627990015.db2.gz QVNCHALJELOYRR-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959245 627990021 /nfs/dbraw/zinc/99/00/21/627990021.db2.gz QVNCHALJELOYRR-MOPGFXCFSA-N 2 2 316.489 3.446 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000927111597 628017506 /nfs/dbraw/zinc/01/75/06/628017506.db2.gz HEOUAQADIKXWDD-XUVXKRRUSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000927111597 628017508 /nfs/dbraw/zinc/01/75/08/628017508.db2.gz HEOUAQADIKXWDD-XUVXKRRUSA-N 2 2 314.473 3.297 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)cc3c2OCC3)CC1 ZINC000927139265 628024676 /nfs/dbraw/zinc/02/46/76/628024676.db2.gz KEJQKSXKZWTBCG-LBPRGKRZSA-N 2 2 308.853 3.410 20 0 DGADLP Cc1ccccc1[C@H](O)C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000819339303 628136211 /nfs/dbraw/zinc/13/62/11/628136211.db2.gz JIGHKKLDKIHYCU-PKOBYXMFSA-N 2 2 304.478 3.129 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000827706858 628984258 /nfs/dbraw/zinc/98/42/58/628984258.db2.gz MPXKLZWKZSRNDT-NZSAHSFTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000827706858 628984259 /nfs/dbraw/zinc/98/42/59/628984259.db2.gz MPXKLZWKZSRNDT-NZSAHSFTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000827706855 628984263 /nfs/dbraw/zinc/98/42/63/628984263.db2.gz MPXKLZWKZSRNDT-BHIYHBOVSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000827706855 628984264 /nfs/dbraw/zinc/98/42/64/628984264.db2.gz MPXKLZWKZSRNDT-BHIYHBOVSA-N 2 2 316.489 3.302 20 0 DGADLP Fc1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccnc1Cl ZINC000827951314 629007222 /nfs/dbraw/zinc/00/72/22/629007222.db2.gz XHZZKPYWEWINBR-ZDUSSCGKSA-N 2 2 311.832 3.086 20 0 DGADLP Fc1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccnc1Cl ZINC000827951314 629007224 /nfs/dbraw/zinc/00/72/24/629007224.db2.gz XHZZKPYWEWINBR-ZDUSSCGKSA-N 2 2 311.832 3.086 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843058112 630610169 /nfs/dbraw/zinc/61/01/69/630610169.db2.gz PQGJYZNDWKHELB-GXTWGEPZSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843058112 630610170 /nfs/dbraw/zinc/61/01/70/630610170.db2.gz PQGJYZNDWKHELB-GXTWGEPZSA-N 2 2 318.852 3.003 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843353900 630648870 /nfs/dbraw/zinc/64/88/70/630648870.db2.gz QFMUBTHVWPCWID-ZMSDIMECSA-N 2 2 317.477 3.198 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843353900 630648872 /nfs/dbraw/zinc/64/88/72/630648872.db2.gz QFMUBTHVWPCWID-ZMSDIMECSA-N 2 2 317.477 3.198 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000843354614 630648895 /nfs/dbraw/zinc/64/88/95/630648895.db2.gz FEPQONQLOMDZCJ-AWEZNQCLSA-N 2 2 305.466 3.055 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000843354614 630648898 /nfs/dbraw/zinc/64/88/98/630648898.db2.gz FEPQONQLOMDZCJ-AWEZNQCLSA-N 2 2 305.466 3.055 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc2ccccc21 ZINC000843362055 630650063 /nfs/dbraw/zinc/65/00/63/630650063.db2.gz OGIUHGOLAOXPDV-ALOPSCKCSA-N 2 2 323.440 3.123 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc2ccccc21 ZINC000843362055 630650066 /nfs/dbraw/zinc/65/00/66/630650066.db2.gz OGIUHGOLAOXPDV-ALOPSCKCSA-N 2 2 323.440 3.123 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000845938593 631202779 /nfs/dbraw/zinc/20/27/79/631202779.db2.gz WJNPWYGDXOYFOV-KRWDZBQOSA-N 2 2 322.880 3.381 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCCCCO)C[N@@H+]1Cc1ccccc1 ZINC000845948290 631203243 /nfs/dbraw/zinc/20/32/43/631203243.db2.gz CBEVTMLKXAHTFH-SFHVURJKSA-N 2 2 304.478 3.182 20 0 DGADLP CC1(C)C[C@H]([NH2+]CCCCCCO)C[N@H+]1Cc1ccccc1 ZINC000845948290 631203244 /nfs/dbraw/zinc/20/32/44/631203244.db2.gz CBEVTMLKXAHTFH-SFHVURJKSA-N 2 2 304.478 3.182 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831245 631321605 /nfs/dbraw/zinc/32/16/05/631321605.db2.gz HZXXHUFMZMPFDZ-BBRMVZONSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000846831245 631321609 /nfs/dbraw/zinc/32/16/09/631321609.db2.gz HZXXHUFMZMPFDZ-BBRMVZONSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000846831245 631321612 /nfs/dbraw/zinc/32/16/12/631321612.db2.gz HZXXHUFMZMPFDZ-BBRMVZONSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000846831245 631321619 /nfs/dbraw/zinc/32/16/19/631321619.db2.gz HZXXHUFMZMPFDZ-BBRMVZONSA-N 2 2 323.843 3.323 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccn1 ZINC000848527502 631679467 /nfs/dbraw/zinc/67/94/67/631679467.db2.gz CAFVFMAUVRCSKE-PKOBYXMFSA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000848568732 631696431 /nfs/dbraw/zinc/69/64/31/631696431.db2.gz PIJBCSSXXQJVLG-WBAXXEDZSA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000848568732 631696436 /nfs/dbraw/zinc/69/64/36/631696436.db2.gz PIJBCSSXXQJVLG-WBAXXEDZSA-N 2 2 300.446 3.289 20 0 DGADLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCCCCC1)c1ccc(Cl)cc1 ZINC000849089629 631832386 /nfs/dbraw/zinc/83/23/86/631832386.db2.gz REXKJELWPYPTSR-MRXNPFEDSA-N 2 2 322.884 3.343 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000850173543 632072480 /nfs/dbraw/zinc/07/24/80/632072480.db2.gz LNZYPHOSGYNBKI-STQMWFEESA-N 2 2 316.367 3.390 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc3occc3c2)s1 ZINC000850355354 632123940 /nfs/dbraw/zinc/12/39/40/632123940.db2.gz GONNXDCLVNYNKO-UHFFFAOYSA-N 2 2 301.415 3.241 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852115006 632557224 /nfs/dbraw/zinc/55/72/24/632557224.db2.gz AFAZYJBCWWTYMA-UHFFFAOYSA-N 2 2 310.441 3.449 20 0 DGADLP C[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1cscn1)c1cscn1 ZINC000852416265 632600497 /nfs/dbraw/zinc/60/04/97/632600497.db2.gz HAHIUTVXGLDJOM-XVGAQQEPSA-N 2 2 308.476 3.157 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000052209212 660375068 /nfs/dbraw/zinc/37/50/68/660375068.db2.gz LRGSSKNQZDYVDT-UHFFFAOYSA-N 2 2 312.889 3.017 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000052209212 660375070 /nfs/dbraw/zinc/37/50/70/660375070.db2.gz LRGSSKNQZDYVDT-UHFFFAOYSA-N 2 2 312.889 3.017 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355440 660720497 /nfs/dbraw/zinc/72/04/97/660720497.db2.gz BPMIXRUXWURQNP-DOTOQJQBSA-N 2 2 322.880 3.027 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(Cl)CC1 ZINC000702355440 660720499 /nfs/dbraw/zinc/72/04/99/660720499.db2.gz BPMIXRUXWURQNP-DOTOQJQBSA-N 2 2 322.880 3.027 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2F)CC[N@@H+]1Cc1ccccc1 ZINC000793289233 661021609 /nfs/dbraw/zinc/02/16/09/661021609.db2.gz LJRANYNHTYKUKI-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2F)CC[N@H+]1Cc1ccccc1 ZINC000793289233 661021613 /nfs/dbraw/zinc/02/16/13/661021613.db2.gz LJRANYNHTYKUKI-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000793536343 661043109 /nfs/dbraw/zinc/04/31/09/661043109.db2.gz SSQBAAGZAJTIOL-SFHVURJKSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794834499 661108329 /nfs/dbraw/zinc/10/83/29/661108329.db2.gz JGCOFIOXVRAATF-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]([NH2+]Cc1cccnc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794834499 661108331 /nfs/dbraw/zinc/10/83/31/661108331.db2.gz JGCOFIOXVRAATF-YJBOKZPZSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000253196790 655549257 /nfs/dbraw/zinc/54/92/57/655549257.db2.gz TZGYUIVSLKXQDF-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000253196790 655549258 /nfs/dbraw/zinc/54/92/58/655549258.db2.gz TZGYUIVSLKXQDF-ZYHUDNBSSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+]1CCCCC1 ZINC000795899950 661177881 /nfs/dbraw/zinc/17/78/81/661177881.db2.gz BHKIVUSHJVOANP-INIZCTEOSA-N 2 2 302.462 3.018 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000178053531 655953713 /nfs/dbraw/zinc/95/37/13/655953713.db2.gz PRCVOKPHCSSEMP-HZPDHXFCSA-N 2 2 301.434 3.139 20 0 DGADLP C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000892750091 656035320 /nfs/dbraw/zinc/03/53/20/656035320.db2.gz SZGSJOJKYBZAPD-ZFWWWQNUSA-N 2 2 320.234 3.135 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(O)c1Cl ZINC000328210460 656056773 /nfs/dbraw/zinc/05/67/73/656056773.db2.gz IMLBLQIBKBQKBC-AWEZNQCLSA-N 2 2 307.825 3.447 20 0 DGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000328496974 656060743 /nfs/dbraw/zinc/06/07/43/656060743.db2.gz QWRJGZONOHBHSM-JAVISRFCSA-N 2 2 300.446 3.121 20 0 DGADLP CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981237329 656657469 /nfs/dbraw/zinc/65/74/69/656657469.db2.gz YOVBYFVVYOZFIR-HOTGVXAUSA-N 2 2 303.450 3.047 20 0 DGADLP CCCn1c(C[NH2+]CCC[NH+](CC)CC)nc2ccccc21 ZINC000236986340 657037935 /nfs/dbraw/zinc/03/79/35/657037935.db2.gz IUKAXNZEZAUSDL-UHFFFAOYSA-N 2 2 302.466 3.268 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000261841333 657130383 /nfs/dbraw/zinc/13/03/83/657130383.db2.gz ISGDIOLLYDKCAN-YXKWSERDSA-N 2 2 309.413 3.440 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4cccnc43)CC2)cc1 ZINC000303801272 657565482 /nfs/dbraw/zinc/56/54/82/657565482.db2.gz YPBONLXSCGIWQY-IBGZPJMESA-N 2 2 307.441 3.323 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253194690 657663789 /nfs/dbraw/zinc/66/37/89/657663789.db2.gz QMZCEUNPTVRUNT-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000253194690 657663793 /nfs/dbraw/zinc/66/37/93/657663793.db2.gz QMZCEUNPTVRUNT-CMPLNLGQSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC000253195796 657664066 /nfs/dbraw/zinc/66/40/66/657664066.db2.gz RZIHXZJOGQTAMN-WCQYABFASA-N 2 2 302.340 3.002 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC000253195796 657664072 /nfs/dbraw/zinc/66/40/72/657664072.db2.gz RZIHXZJOGQTAMN-WCQYABFASA-N 2 2 302.340 3.002 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000061630841 659281311 /nfs/dbraw/zinc/28/13/11/659281311.db2.gz YDIVRXRPHMUTIQ-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Br)cs1 ZINC000069720679 660017389 /nfs/dbraw/zinc/01/73/89/660017389.db2.gz UQSMJJMDTNPUGH-LLVKDONJSA-N 2 2 303.269 3.214 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000069720679 660017387 /nfs/dbraw/zinc/01/73/87/660017387.db2.gz UQSMJJMDTNPUGH-LLVKDONJSA-N 2 2 303.269 3.214 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174587 660040513 /nfs/dbraw/zinc/04/05/13/660040513.db2.gz CONXEYIJVPQLTC-YPMHNXCESA-N 2 2 305.447 3.271 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174587 660040515 /nfs/dbraw/zinc/04/05/15/660040515.db2.gz CONXEYIJVPQLTC-YPMHNXCESA-N 2 2 305.447 3.271 20 0 DGADLP Cc1[nH]c(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000929754906 661334766 /nfs/dbraw/zinc/33/47/66/661334766.db2.gz IHILJHXEQYDFHZ-HNNXBMFYSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000929754906 661334769 /nfs/dbraw/zinc/33/47/69/661334769.db2.gz IHILJHXEQYDFHZ-HNNXBMFYSA-N 2 2 312.461 3.123 20 0 DGADLP CCc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000929754426 661334848 /nfs/dbraw/zinc/33/48/48/661334848.db2.gz ODMLYJRLLHRGOW-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000929754426 661334849 /nfs/dbraw/zinc/33/48/49/661334849.db2.gz ODMLYJRLLHRGOW-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000929754426 661334851 /nfs/dbraw/zinc/33/48/51/661334851.db2.gz ODMLYJRLLHRGOW-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000929754426 661334852 /nfs/dbraw/zinc/33/48/52/661334852.db2.gz ODMLYJRLLHRGOW-QGZVFWFLSA-N 2 2 313.445 3.191 20 0 DGADLP c1cn(C2CC[NH+](Cc3cnc(-c4ccccc4)o3)CC2)c[nH+]1 ZINC000929803028 661340062 /nfs/dbraw/zinc/34/00/62/661340062.db2.gz AMVTTXPWWDXMQK-UHFFFAOYSA-N 2 2 308.385 3.375 20 0 DGADLP C[N@H+](CCc1ccns1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929980433 661354899 /nfs/dbraw/zinc/35/48/99/661354899.db2.gz FCCAOXAHKHJHKR-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP C[N@@H+](CCc1ccns1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929980433 661354901 /nfs/dbraw/zinc/35/49/01/661354901.db2.gz FCCAOXAHKHJHKR-UHFFFAOYSA-N 2 2 315.486 3.282 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991637 661356428 /nfs/dbraw/zinc/35/64/28/661356428.db2.gz INKGMBNLBRDTBF-UPJWGTAASA-N 2 2 317.355 3.089 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000929991637 661356430 /nfs/dbraw/zinc/35/64/30/661356430.db2.gz INKGMBNLBRDTBF-UPJWGTAASA-N 2 2 317.355 3.089 20 0 DGADLP CCSc1ccccc1C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000930612911 661415754 /nfs/dbraw/zinc/41/57/54/661415754.db2.gz BCICHXYGSXTKPP-UHFFFAOYSA-N 2 2 322.518 3.124 20 0 DGADLP CCCC[N@H+](Cc1cnns1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034825 661447435 /nfs/dbraw/zinc/44/74/35/661447435.db2.gz YRSPQKNEVSPLFX-UHFFFAOYSA-N 2 2 310.511 3.449 20 0 DGADLP CCCC[N@@H+](Cc1cnns1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034825 661447436 /nfs/dbraw/zinc/44/74/36/661447436.db2.gz YRSPQKNEVSPLFX-UHFFFAOYSA-N 2 2 310.511 3.449 20 0 DGADLP COc1cccc(SCC[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931353332 661469967 /nfs/dbraw/zinc/46/99/67/661469967.db2.gz ADZLKBYVBMPSDX-UHFFFAOYSA-N 2 2 308.491 3.203 20 0 DGADLP C[C@@H]1C[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)O1 ZINC000931707314 661500485 /nfs/dbraw/zinc/50/04/85/661500485.db2.gz PUWAOAAGCKFDPY-FAJBIJEISA-N 2 2 313.445 3.418 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934385671 661703740 /nfs/dbraw/zinc/70/37/40/661703740.db2.gz JJHGWHLUBFMUBG-SFHVURJKSA-N 2 2 311.429 3.372 20 0 DGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247970863 662331542 /nfs/dbraw/zinc/33/15/42/662331542.db2.gz HIDGDTXAVANERB-VHKYSDTDSA-N 2 2 319.408 3.181 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000262292092 685123367 /nfs/dbraw/zinc/12/33/67/685123367.db2.gz NKSXTUDWTVGIGM-FGTMMUONSA-N 3 2 307.526 3.151 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]C(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001075306504 687364871 /nfs/dbraw/zinc/36/48/71/687364871.db2.gz XJUAGTKRTKZXEO-YOEHRIQHSA-N 2 2 317.477 3.103 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608741 1191852708 /nfs/dbraw/zinc/85/27/08/1191852708.db2.gz WXICYXPJUAUXPG-BBRMVZONSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608741 1191852714 /nfs/dbraw/zinc/85/27/14/1191852714.db2.gz WXICYXPJUAUXPG-BBRMVZONSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOc2ccc(Cl)c(F)c2)[C@@H]1C ZINC001576652173 1191859545 /nfs/dbraw/zinc/85/95/45/1191859545.db2.gz TYSKRXQHJYARRD-JHJVBQTASA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOc2ccc(Cl)c(F)c2)[C@@H]1C ZINC001576652173 1191859547 /nfs/dbraw/zinc/85/95/47/1191859547.db2.gz TYSKRXQHJYARRD-JHJVBQTASA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccn3)c2)[C@@H]1C[NH3+] ZINC001576708255 1191865265 /nfs/dbraw/zinc/86/52/65/1191865265.db2.gz AMBATCANVAISPO-CRAIPNDOSA-N 2 2 311.429 3.433 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)[C@@H]1C[NH3+] ZINC001576708255 1191865268 /nfs/dbraw/zinc/86/52/68/1191865268.db2.gz AMBATCANVAISPO-CRAIPNDOSA-N 2 2 311.429 3.433 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC001620780901 1191867134 /nfs/dbraw/zinc/86/71/34/1191867134.db2.gz FZBAJWZBQFGFNI-AHJVTXKRSA-N 2 2 314.473 3.078 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC001620780901 1191867139 /nfs/dbraw/zinc/86/71/39/1191867139.db2.gz FZBAJWZBQFGFNI-AHJVTXKRSA-N 2 2 314.473 3.078 20 0 DGADLP CCC[N@H+](Cc1ccccc1Br)C[C@]12C[C@H]1C[NH2+]C2 ZINC001577527434 1191906431 /nfs/dbraw/zinc/90/64/31/1191906431.db2.gz YCEQYYXQSHRLFC-GOEBONIOSA-N 2 2 323.278 3.271 20 0 DGADLP CCC[N@@H+](Cc1ccccc1Br)C[C@]12C[C@H]1C[NH2+]C2 ZINC001577527434 1191906436 /nfs/dbraw/zinc/90/64/36/1191906436.db2.gz YCEQYYXQSHRLFC-GOEBONIOSA-N 2 2 323.278 3.271 20 0 DGADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C)c(Br)c1C ZINC001578241953 1191933466 /nfs/dbraw/zinc/93/34/66/1191933466.db2.gz UEXYDHFAKTXFMY-KGLIPLIRSA-N 2 2 311.267 3.296 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001578275190 1191936396 /nfs/dbraw/zinc/93/63/96/1191936396.db2.gz COWAPGBRIDNHDT-KUHUBIRLSA-N 2 2 310.441 3.362 20 0 DGADLP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001578901228 1191960905 /nfs/dbraw/zinc/96/09/05/1191960905.db2.gz PTLOWKRWHQSARJ-OKZBNKHCSA-N 2 2 308.441 3.003 20 0 DGADLP CO[C@@H](CC(C)C)C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001578901228 1191960908 /nfs/dbraw/zinc/96/09/08/1191960908.db2.gz PTLOWKRWHQSARJ-OKZBNKHCSA-N 2 2 308.441 3.003 20 0 DGADLP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H]([NH3+])CC(F)(F)F ZINC001579033197 1191964420 /nfs/dbraw/zinc/96/44/20/1191964420.db2.gz QWVQYZXSIJJOTB-HNNXBMFYSA-N 2 2 318.383 3.032 20 0 DGADLP COCC[N@H+](Cc1ccc(C)cc1C)C[C@@H]([NH3+])CC(F)(F)F ZINC001579033197 1191964426 /nfs/dbraw/zinc/96/44/26/1191964426.db2.gz QWVQYZXSIJJOTB-HNNXBMFYSA-N 2 2 318.383 3.032 20 0 DGADLP Cc1cc(C)c2cc(N[C@@H]3C[C@@H]([NH3+])C34CCOCC4)ccc2[nH+]1 ZINC001579576928 1191980503 /nfs/dbraw/zinc/98/05/03/1191980503.db2.gz SNBCQLHSBUYGBJ-QZTJIDSGSA-N 2 2 311.429 3.160 20 0 DGADLP CC(C)COCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001660677662 1196511164 /nfs/dbraw/zinc/51/11/64/1196511164.db2.gz PWOYXZKXWFUVDL-INIZCTEOSA-N 2 2 307.482 3.490 20 0 DGADLP Cc1cccc2c1C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CO2 ZINC001579775888 1191992296 /nfs/dbraw/zinc/99/22/96/1191992296.db2.gz HPHFSWNPTJIINN-NLWGTHIKSA-N 2 2 322.452 3.034 20 0 DGADLP Cc1cccnc1[C@@H]([NH2+]C[C@H]([NH3+])CC(F)(F)F)C(C)(C)C ZINC001579808145 1191994941 /nfs/dbraw/zinc/99/49/41/1191994941.db2.gz ZSRHKVVZGGSEAO-DGCLKSJQSA-N 2 2 303.372 3.347 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2F)C[C@H](C)O1 ZINC001620705830 1192070848 /nfs/dbraw/zinc/07/08/48/1192070848.db2.gz ZXCZIKDWHJINLP-JZIPVBLRSA-N 2 2 324.415 3.067 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2F)C[C@H](C)O1 ZINC001620705830 1192070850 /nfs/dbraw/zinc/07/08/50/1192070850.db2.gz ZXCZIKDWHJINLP-JZIPVBLRSA-N 2 2 324.415 3.067 20 0 DGADLP C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001620890408 1192558023 /nfs/dbraw/zinc/55/80/23/1192558023.db2.gz LXIQXMZGGOLCBW-HNNXBMFYSA-N 2 2 321.428 3.330 20 0 DGADLP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691155828 1176343206 /nfs/dbraw/zinc/34/32/06/1176343206.db2.gz AQDKEROQXWFYPM-QAQDUYKDSA-N 2 2 317.477 3.295 20 0 DGADLP OCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000129465517 1176432784 /nfs/dbraw/zinc/43/27/84/1176432784.db2.gz YNHBCDNCBFWITB-IBGZPJMESA-N 2 2 313.445 3.293 20 0 DGADLP Cc1sc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000227913219 1176577244 /nfs/dbraw/zinc/57/72/44/1176577244.db2.gz IYCGLALEZWITQC-KOLCDFICSA-N 2 2 317.296 3.236 20 0 DGADLP Cc1sc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC000227913219 1176577251 /nfs/dbraw/zinc/57/72/51/1176577251.db2.gz IYCGLALEZWITQC-KOLCDFICSA-N 2 2 317.296 3.236 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)CC2 ZINC000378918395 1176754027 /nfs/dbraw/zinc/75/40/27/1176754027.db2.gz NOFBGTXPKICWMI-CRAIPNDOSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@@H+](Cc1cc(Br)ccc1C)[C@H]1CCC[NH2+]C1 ZINC000313676960 1177426236 /nfs/dbraw/zinc/42/62/36/1177426236.db2.gz JGKTVGAHAMEVIM-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@H+](Cc1cc(Br)ccc1C)[C@H]1CCC[NH2+]C1 ZINC000313676960 1177426230 /nfs/dbraw/zinc/42/62/30/1177426230.db2.gz JGKTVGAHAMEVIM-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000086818832 1177545455 /nfs/dbraw/zinc/54/54/55/1177545455.db2.gz FZEYKAJLCOSWGC-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000086818832 1177545470 /nfs/dbraw/zinc/54/54/70/1177545470.db2.gz FZEYKAJLCOSWGC-CYBMUJFWSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@H+](Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000110938091 1177876122 /nfs/dbraw/zinc/87/61/22/1177876122.db2.gz BTPRNOQEWWRFDE-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP CCC[N@@H+](Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000110938091 1177876131 /nfs/dbraw/zinc/87/61/31/1177876131.db2.gz BTPRNOQEWWRFDE-HNNXBMFYSA-N 2 2 311.267 3.413 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)[nH+]c1C ZINC001330970918 1178102165 /nfs/dbraw/zinc/10/21/65/1178102165.db2.gz PAFMFBZYZZXLLV-UHFFFAOYSA-N 2 2 312.417 3.022 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)cc2)[nH+]c1C ZINC001330983166 1178105075 /nfs/dbraw/zinc/10/50/75/1178105075.db2.gz NPYXBPHUFRSVKO-MEDUHNTESA-N 2 2 312.417 3.020 20 0 DGADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001332077086 1178352102 /nfs/dbraw/zinc/35/21/02/1178352102.db2.gz LYHKRYCPPDHUSW-GWOVIKRFSA-N 2 2 324.428 3.044 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333645103 1178645347 /nfs/dbraw/zinc/64/53/47/1178645347.db2.gz CQETTZCMSLPELK-AWEZNQCLSA-N 2 2 301.390 3.068 20 0 DGADLP Cc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c(C)s1 ZINC001334033226 1178709742 /nfs/dbraw/zinc/70/97/42/1178709742.db2.gz NVHUHBHYFTTYHU-UHFFFAOYSA-N 2 2 304.463 3.479 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335766153 1178950823 /nfs/dbraw/zinc/95/08/23/1178950823.db2.gz UZNXUPNQJCFPHX-MBNYWOFBSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001335766153 1178950826 /nfs/dbraw/zinc/95/08/26/1178950826.db2.gz UZNXUPNQJCFPHX-MBNYWOFBSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1ccnc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC001621051091 1192964802 /nfs/dbraw/zinc/96/48/02/1192964802.db2.gz OCVKBZWPPJRLSL-UHFFFAOYSA-N 2 2 324.472 3.215 20 0 DGADLP [NH3+][C@H](c1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298286 1179889276 /nfs/dbraw/zinc/88/92/76/1179889276.db2.gz CUYUKVGXLOMOIB-CVEARBPZSA-N 2 2 312.417 3.197 20 0 DGADLP [NH3+][C@H](c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1)c1ccccc1 ZINC001349298286 1179889287 /nfs/dbraw/zinc/88/92/87/1179889287.db2.gz CUYUKVGXLOMOIB-CVEARBPZSA-N 2 2 312.417 3.197 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372018 1180062887 /nfs/dbraw/zinc/06/28/87/1180062887.db2.gz XEMDXTYUEQCOSK-WMZOPIPTSA-N 2 2 319.493 3.270 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CCCCC1 ZINC001350372018 1180062892 /nfs/dbraw/zinc/06/28/92/1180062892.db2.gz XEMDXTYUEQCOSK-WMZOPIPTSA-N 2 2 319.493 3.270 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3ccc4nccnc4c3)CC2)[nH+]c1 ZINC001352088013 1180293191 /nfs/dbraw/zinc/29/31/91/1180293191.db2.gz XJYCYICCSBGTME-UHFFFAOYSA-N 2 2 319.412 3.101 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300174045 1180444240 /nfs/dbraw/zinc/44/42/40/1180444240.db2.gz HFNJQTYQQARCSZ-GOSISDBHSA-N 2 2 324.428 3.058 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300174045 1180444245 /nfs/dbraw/zinc/44/42/45/1180444245.db2.gz HFNJQTYQQARCSZ-GOSISDBHSA-N 2 2 324.428 3.058 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cnn1C ZINC001353899925 1180678876 /nfs/dbraw/zinc/67/88/76/1180678876.db2.gz RUNLYWVRKJQHEG-KGLIPLIRSA-N 2 2 309.417 3.326 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000067222593 1195608656 /nfs/dbraw/zinc/60/86/56/1195608656.db2.gz DPWIMRRZBJWSTR-ZDUSSCGKSA-N 2 2 312.889 3.018 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000067222593 1195608662 /nfs/dbraw/zinc/60/86/62/1195608662.db2.gz DPWIMRRZBJWSTR-ZDUSSCGKSA-N 2 2 312.889 3.018 20 0 DGADLP Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(C2CCC2)[nH+]1 ZINC001458204811 1182505197 /nfs/dbraw/zinc/50/51/97/1182505197.db2.gz BLPQNSHEOAEVDB-INIZCTEOSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(C2CCC2)[nH+]1 ZINC001458204811 1182505201 /nfs/dbraw/zinc/50/52/01/1182505201.db2.gz BLPQNSHEOAEVDB-INIZCTEOSA-N 2 2 302.466 3.363 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC001458556306 1182540067 /nfs/dbraw/zinc/54/00/67/1182540067.db2.gz KAVODZVWPHMDIK-UHFFFAOYSA-N 2 2 324.472 3.286 20 0 DGADLP CC(C)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001459966695 1182635724 /nfs/dbraw/zinc/63/57/24/1182635724.db2.gz VTTHNCQSBDEQHK-FQEVSTJZSA-N 2 2 316.489 3.387 20 0 DGADLP CC(C)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001459966695 1182635726 /nfs/dbraw/zinc/63/57/26/1182635726.db2.gz VTTHNCQSBDEQHK-FQEVSTJZSA-N 2 2 316.489 3.387 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965295 1182635946 /nfs/dbraw/zinc/63/59/46/1182635946.db2.gz HWCPJAJCQBSEMW-HSALFYBXSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965295 1182635951 /nfs/dbraw/zinc/63/59/51/1182635951.db2.gz HWCPJAJCQBSEMW-HSALFYBXSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459965295 1182635955 /nfs/dbraw/zinc/63/59/55/1182635955.db2.gz HWCPJAJCQBSEMW-HSALFYBXSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459965295 1182635959 /nfs/dbraw/zinc/63/59/59/1182635959.db2.gz HWCPJAJCQBSEMW-HSALFYBXSA-N 2 2 318.505 3.380 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)CC1 ZINC001460624406 1182700189 /nfs/dbraw/zinc/70/01/89/1182700189.db2.gz BSWJUCTVEMZQDK-HXUWFJFHSA-N 3 2 321.553 3.449 20 0 DGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)CC1 ZINC001460624406 1182700194 /nfs/dbraw/zinc/70/01/94/1182700194.db2.gz BSWJUCTVEMZQDK-HXUWFJFHSA-N 3 2 321.553 3.449 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001460959437 1182746266 /nfs/dbraw/zinc/74/62/66/1182746266.db2.gz NOKGOCUNTMMWBM-IBGZPJMESA-N 2 2 311.429 3.326 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@]12CCOC2 ZINC001460959437 1182746271 /nfs/dbraw/zinc/74/62/71/1182746271.db2.gz NOKGOCUNTMMWBM-IBGZPJMESA-N 2 2 311.429 3.326 20 0 DGADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974834 1182748656 /nfs/dbraw/zinc/74/86/56/1182748656.db2.gz PFXCYWDKYQIYBG-OAGGEKHMSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)O1 ZINC001460974834 1182748663 /nfs/dbraw/zinc/74/86/63/1182748663.db2.gz PFXCYWDKYQIYBG-OAGGEKHMSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC001461037932 1182759298 /nfs/dbraw/zinc/75/92/98/1182759298.db2.gz CUWXZHPTHSLDDI-LLVKDONJSA-N 2 2 304.444 3.246 20 0 DGADLP C[C@H]1Cc2cc(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2O1 ZINC001461084525 1182764960 /nfs/dbraw/zinc/76/49/60/1182764960.db2.gz APGXLHAJHDOAQB-KSSFIOAISA-N 2 2 313.445 3.411 20 0 DGADLP Cc1ccccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001461356267 1182798934 /nfs/dbraw/zinc/79/89/34/1182798934.db2.gz OXXZXKVFDOGVIR-SFHVURJKSA-N 2 2 310.445 3.142 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001462056677 1182902298 /nfs/dbraw/zinc/90/22/98/1182902298.db2.gz VCTCSUXBEWAZPW-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001462056677 1182902301 /nfs/dbraw/zinc/90/23/01/1182902301.db2.gz VCTCSUXBEWAZPW-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C12CCCC2 ZINC001462488348 1182960807 /nfs/dbraw/zinc/96/08/07/1182960807.db2.gz QTRWCOWTYKSEDB-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C12CCCC2 ZINC001462488348 1182960813 /nfs/dbraw/zinc/96/08/13/1182960813.db2.gz QTRWCOWTYKSEDB-FGTMMUONSA-N 2 2 306.494 3.331 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1COc2ccccc2C1 ZINC001462489432 1182961355 /nfs/dbraw/zinc/96/13/55/1182961355.db2.gz ZMKXPVVDGQNGTK-VDZJLULYSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1COc2ccccc2C1 ZINC001462489432 1182961359 /nfs/dbraw/zinc/96/13/59/1182961359.db2.gz ZMKXPVVDGQNGTK-VDZJLULYSA-N 2 2 314.473 3.233 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716551 1183792997 /nfs/dbraw/zinc/79/29/97/1183792997.db2.gz HOSZVOSHROXUNU-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716551 1183793000 /nfs/dbraw/zinc/79/30/00/1183793000.db2.gz HOSZVOSHROXUNU-ROUUACIJSA-N 2 2 324.509 3.305 20 0 DGADLP COC/C(C)=C\C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898187 1183822697 /nfs/dbraw/zinc/82/26/97/1183822697.db2.gz UTKZRJCQIYHINK-MVMZHWFQSA-N 2 2 305.466 3.410 20 0 DGADLP COC/C(C)=C\C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898187 1183822699 /nfs/dbraw/zinc/82/26/99/1183822699.db2.gz UTKZRJCQIYHINK-MVMZHWFQSA-N 2 2 305.466 3.410 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nccn1C ZINC001473932227 1183831931 /nfs/dbraw/zinc/83/19/31/1183831931.db2.gz WPFFNUMPODVNMU-MRXNPFEDSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nccn1C ZINC001473932227 1183831934 /nfs/dbraw/zinc/83/19/34/1183831934.db2.gz WPFFNUMPODVNMU-MRXNPFEDSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001474099552 1183867510 /nfs/dbraw/zinc/86/75/10/1183867510.db2.gz FOFSRXUDIBNLHJ-GFCCVEGCSA-N 2 2 315.808 3.110 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2c(Cl)nc3ccccn32)CCCC1 ZINC001474106776 1183869097 /nfs/dbraw/zinc/86/90/97/1183869097.db2.gz OJNLQXRMZJCSOF-UHFFFAOYSA-N 2 2 320.868 3.199 20 0 DGADLP C[C@@H](O)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001474222638 1183885610 /nfs/dbraw/zinc/88/56/10/1183885610.db2.gz WAEYFHGXIFUOHM-BEFAXECRSA-N 2 2 307.397 3.084 20 0 DGADLP C[C@H](O)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001474222640 1183885670 /nfs/dbraw/zinc/88/56/70/1183885670.db2.gz WAEYFHGXIFUOHM-HNAYVOBHSA-N 2 2 307.397 3.084 20 0 DGADLP CCO[C@@H](C[NH2+]C/C=C/c1cc(C)c(C)cc1C)C[NH+](C)C ZINC001474263403 1183891741 /nfs/dbraw/zinc/89/17/41/1183891741.db2.gz WDCJIMGAWCYELR-SGQUHAKNSA-N 2 2 304.478 3.181 20 0 DGADLP CO[C@](C)(C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC001474464831 1183925290 /nfs/dbraw/zinc/92/52/90/1183925290.db2.gz GFCHOJZFAIQHHM-VQTJNVASSA-N 2 2 316.489 3.302 20 0 DGADLP CO[C@](C)(C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC001474464831 1183925295 /nfs/dbraw/zinc/92/52/95/1183925295.db2.gz GFCHOJZFAIQHHM-VQTJNVASSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465335 1183926699 /nfs/dbraw/zinc/92/66/99/1183926699.db2.gz NQLCCRWWFLBQOI-HNAYVOBHSA-N 2 2 313.445 3.106 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465335 1183926700 /nfs/dbraw/zinc/92/67/00/1183926700.db2.gz NQLCCRWWFLBQOI-HNAYVOBHSA-N 2 2 313.445 3.106 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001474465336 1183926802 /nfs/dbraw/zinc/92/68/02/1183926802.db2.gz NQLCCRWWFLBQOI-KXBFYZLASA-N 2 2 313.445 3.106 20 0 DGADLP C[C@@H](Cc1ccno1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001474465336 1183926803 /nfs/dbraw/zinc/92/68/03/1183926803.db2.gz NQLCCRWWFLBQOI-KXBFYZLASA-N 2 2 313.445 3.106 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474745284 1183971047 /nfs/dbraw/zinc/97/10/47/1183971047.db2.gz QEQCQIPXNPYSAD-QGZVFWFLSA-N 2 2 304.478 3.303 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474745284 1183971053 /nfs/dbraw/zinc/97/10/53/1183971053.db2.gz QEQCQIPXNPYSAD-QGZVFWFLSA-N 2 2 304.478 3.303 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474745283 1183971076 /nfs/dbraw/zinc/97/10/76/1183971076.db2.gz QEQCQIPXNPYSAD-KRWDZBQOSA-N 2 2 304.478 3.303 20 0 DGADLP C[C@@H](CCOCc1ccccc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474745283 1183971078 /nfs/dbraw/zinc/97/10/78/1183971078.db2.gz QEQCQIPXNPYSAD-KRWDZBQOSA-N 2 2 304.478 3.303 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001479786158 1184324070 /nfs/dbraw/zinc/32/40/70/1184324070.db2.gz XTRRRYLJVJKSTD-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CCC(C)(C)C)c(C)[nH+]1 ZINC001479786158 1184324076 /nfs/dbraw/zinc/32/40/76/1184324076.db2.gz XTRRRYLJVJKSTD-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCCC(C)C)C2)c(C)[nH+]1 ZINC001480113994 1184437710 /nfs/dbraw/zinc/43/77/10/1184437710.db2.gz AHMLAXIMYSDSPF-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001498342820 1185473186 /nfs/dbraw/zinc/47/31/86/1185473186.db2.gz JSZLWVCUOAZTRU-YAJUMTOWSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001498342820 1185473190 /nfs/dbraw/zinc/47/31/90/1185473190.db2.gz JSZLWVCUOAZTRU-YAJUMTOWSA-N 2 2 317.477 3.103 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001499912247 1185714539 /nfs/dbraw/zinc/71/45/39/1185714539.db2.gz DBIGWXBMGWCZSG-GUYCJALGSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCC3CC3)CCC2)c(C)[nH+]1 ZINC001501984433 1185943782 /nfs/dbraw/zinc/94/37/82/1185943782.db2.gz NZHGWLDDYPCAKP-UHFFFAOYSA-N 2 2 315.461 3.049 20 0 DGADLP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001507016863 1186341697 /nfs/dbraw/zinc/34/16/97/1186341697.db2.gz ACCZRPWQQVEHGW-KRWDZBQOSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1nc(NCCC[NH2+]C2CCCCC2)c2c([nH+]1)CCCC2 ZINC001611779635 1193441392 /nfs/dbraw/zinc/44/13/92/1193441392.db2.gz QPFZVWWBCDSZGM-UHFFFAOYSA-N 2 2 302.466 3.388 20 0 DGADLP CC[NH+](CC)[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)CC(C)C ZINC001542930689 1188308932 /nfs/dbraw/zinc/30/89/32/1188308932.db2.gz OOOCRMVAAUTYKZ-QGZVFWFLSA-N 2 2 319.493 3.493 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)cc1 ZINC001548960560 1188484711 /nfs/dbraw/zinc/48/47/11/1188484711.db2.gz PSGVKDROXBQFFT-KYNGSXCRSA-N 2 2 312.461 3.031 20 0 DGADLP CC(C)c1ccc([C@H](C)[N@H+]2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)cc1 ZINC001548960560 1188484715 /nfs/dbraw/zinc/48/47/15/1188484715.db2.gz PSGVKDROXBQFFT-KYNGSXCRSA-N 2 2 312.461 3.031 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC001549115885 1188495761 /nfs/dbraw/zinc/49/57/61/1188495761.db2.gz JUWFEZGAEPEIOQ-ACJLOTCBSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1ncc(-c3ccccc3F)o1)C2 ZINC001549115885 1188495763 /nfs/dbraw/zinc/49/57/63/1188495763.db2.gz JUWFEZGAEPEIOQ-ACJLOTCBSA-N 2 2 315.392 3.042 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)cs2)o1 ZINC001549118122 1188496506 /nfs/dbraw/zinc/49/65/06/1188496506.db2.gz VWWJJFGVJFFEFU-DYVFJYSZSA-N 2 2 317.458 3.272 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4CCC[C@]4(C[NH3+])C3)cs2)o1 ZINC001549118122 1188496508 /nfs/dbraw/zinc/49/65/08/1188496508.db2.gz VWWJJFGVJFFEFU-DYVFJYSZSA-N 2 2 317.458 3.272 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)cs2)o1 ZINC001549118121 1188496796 /nfs/dbraw/zinc/49/67/96/1188496796.db2.gz VWWJJFGVJFFEFU-CXAGYDPISA-N 2 2 317.458 3.272 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4CCC[C@@]4(C[NH3+])C3)cs2)o1 ZINC001549118121 1188496799 /nfs/dbraw/zinc/49/67/99/1188496799.db2.gz VWWJJFGVJFFEFU-CXAGYDPISA-N 2 2 317.458 3.272 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549115893 1188496976 /nfs/dbraw/zinc/49/69/76/1188496976.db2.gz JZBODSGZWSOULT-ZWNOBZJWSA-N 2 2 319.396 3.031 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549115893 1188496977 /nfs/dbraw/zinc/49/69/77/1188496977.db2.gz JZBODSGZWSOULT-ZWNOBZJWSA-N 2 2 319.396 3.031 20 0 DGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587336 1188528832 /nfs/dbraw/zinc/52/88/32/1188528832.db2.gz VQVBUCXWCISTDJ-QAPCUYQASA-N 2 2 317.408 3.126 20 0 DGADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001549587336 1188528834 /nfs/dbraw/zinc/52/88/34/1188528834.db2.gz VQVBUCXWCISTDJ-QAPCUYQASA-N 2 2 317.408 3.126 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001549709972 1188535089 /nfs/dbraw/zinc/53/50/89/1188535089.db2.gz GXKGQODGALHMFU-FZKQIMNGSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001549709972 1188535091 /nfs/dbraw/zinc/53/50/91/1188535091.db2.gz GXKGQODGALHMFU-FZKQIMNGSA-N 2 2 315.392 3.042 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC001550058283 1188576201 /nfs/dbraw/zinc/57/62/01/1188576201.db2.gz JYDRAEHNLOIYGN-QZTJIDSGSA-N 2 2 324.472 3.126 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC001550058283 1188576203 /nfs/dbraw/zinc/57/62/03/1188576203.db2.gz JYDRAEHNLOIYGN-QZTJIDSGSA-N 2 2 324.472 3.126 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001550058746 1188576759 /nfs/dbraw/zinc/57/67/59/1188576759.db2.gz OHTBJEFJSMBEON-ZDUSSCGKSA-N 2 2 306.360 3.132 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001550058746 1188576761 /nfs/dbraw/zinc/57/67/61/1188576761.db2.gz OHTBJEFJSMBEON-ZDUSSCGKSA-N 2 2 306.360 3.132 20 0 DGADLP C[NH+](C)Cc1nc(C[NH2+][C@H]2[C@@H](c3ccccc3)C2(C)C)cs1 ZINC001550128201 1188583641 /nfs/dbraw/zinc/58/36/41/1188583641.db2.gz IDQUZSXJHANULW-SJORKVTESA-N 2 2 315.486 3.487 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130519 1188584640 /nfs/dbraw/zinc/58/46/40/1188584640.db2.gz XZINDUHWVGMYPW-HUUCEWRRSA-N 2 2 305.466 3.193 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001550130519 1188584643 /nfs/dbraw/zinc/58/46/43/1188584643.db2.gz XZINDUHWVGMYPW-HUUCEWRRSA-N 2 2 305.466 3.193 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149039 1188586203 /nfs/dbraw/zinc/58/62/03/1188586203.db2.gz OLIRHQKIWVGUDG-VAMGGRTRSA-N 2 2 310.441 3.042 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149039 1188586206 /nfs/dbraw/zinc/58/62/06/1188586206.db2.gz OLIRHQKIWVGUDG-VAMGGRTRSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149039 1188586208 /nfs/dbraw/zinc/58/62/08/1188586208.db2.gz OLIRHQKIWVGUDG-VAMGGRTRSA-N 2 2 310.441 3.042 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)c1cccc2ccccc21 ZINC001550149039 1188586210 /nfs/dbraw/zinc/58/62/10/1188586210.db2.gz OLIRHQKIWVGUDG-VAMGGRTRSA-N 2 2 310.441 3.042 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001550174492 1188590260 /nfs/dbraw/zinc/59/02/60/1188590260.db2.gz BBPXRCFKEUDWPF-VNQPRFMTSA-N 2 2 312.379 3.378 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1c1ccc(F)cc1 ZINC001550174492 1188590264 /nfs/dbraw/zinc/59/02/64/1188590264.db2.gz BBPXRCFKEUDWPF-VNQPRFMTSA-N 2 2 312.379 3.378 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)[nH+]c1C ZINC001550219380 1188595190 /nfs/dbraw/zinc/59/51/90/1188595190.db2.gz UVPGJSWBERQJQO-LSDHHAIUSA-N 2 2 312.417 3.150 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1F ZINC001550531522 1188619987 /nfs/dbraw/zinc/61/99/87/1188619987.db2.gz VLXWRJKPWDIKGV-ZDUSSCGKSA-N 2 2 305.372 3.386 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1F ZINC001550531522 1188619989 /nfs/dbraw/zinc/61/99/89/1188619989.db2.gz VLXWRJKPWDIKGV-ZDUSSCGKSA-N 2 2 305.372 3.386 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC001550540130 1188622600 /nfs/dbraw/zinc/62/26/00/1188622600.db2.gz XRVCCYQXLKOHCY-STQMWFEESA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC001550540130 1188622602 /nfs/dbraw/zinc/62/26/02/1188622602.db2.gz XRVCCYQXLKOHCY-STQMWFEESA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC001550540130 1188622603 /nfs/dbraw/zinc/62/26/03/1188622603.db2.gz XRVCCYQXLKOHCY-STQMWFEESA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@@H]2C1 ZINC001550540130 1188622605 /nfs/dbraw/zinc/62/26/05/1188622605.db2.gz XRVCCYQXLKOHCY-STQMWFEESA-N 2 2 319.499 3.255 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CCC(C)([NH+]3CCC3)CC2)c(C)[nH+]1 ZINC001562901488 1188646947 /nfs/dbraw/zinc/64/69/47/1188646947.db2.gz QQKAOMBEVSUTDM-UHFFFAOYSA-N 2 2 316.449 3.099 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC001551379374 1188732667 /nfs/dbraw/zinc/73/26/67/1188732667.db2.gz XKKQDSRMBRWUEJ-PEFDPPPMSA-N 2 2 307.441 3.322 20 0 DGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551379636 1188733011 /nfs/dbraw/zinc/73/30/11/1188733011.db2.gz ZESNCYQMSYHYQJ-ZLTQAOJDSA-N 2 2 322.452 3.402 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC001551400541 1188737842 /nfs/dbraw/zinc/73/78/42/1188737842.db2.gz CCRBWHSPOWMSBG-FUHWJXTLSA-N 2 2 318.367 3.045 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCC[NH2+][C@H]21 ZINC001553023671 1188890052 /nfs/dbraw/zinc/89/00/52/1188890052.db2.gz OLHHDUWOOZESLM-IPMKNSEASA-N 3 2 319.537 3.150 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC001553023477 1188890781 /nfs/dbraw/zinc/89/07/81/1188890781.db2.gz ODOIQLLPQGQLJM-SDNTUTLCSA-N 2 2 304.409 3.016 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103533 1188898466 /nfs/dbraw/zinc/89/84/66/1188898466.db2.gz DENXWYLDLPAULH-BTHPGYMESA-N 2 2 314.473 3.323 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CCC[C@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103533 1188898471 /nfs/dbraw/zinc/89/84/71/1188898471.db2.gz DENXWYLDLPAULH-BTHPGYMESA-N 2 2 314.473 3.323 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103533 1188898475 /nfs/dbraw/zinc/89/84/75/1188898475.db2.gz DENXWYLDLPAULH-BTHPGYMESA-N 2 2 314.473 3.323 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)[C@H]2C1 ZINC001553103533 1188898479 /nfs/dbraw/zinc/89/84/79/1188898479.db2.gz DENXWYLDLPAULH-BTHPGYMESA-N 2 2 314.473 3.323 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC001553291645 1188914083 /nfs/dbraw/zinc/91/40/83/1188914083.db2.gz QOURMZZMLVJJNQ-KSZLIROESA-N 2 2 300.446 3.089 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC001553747425 1188949925 /nfs/dbraw/zinc/94/99/25/1188949925.db2.gz UBGDWHZOBXAVCM-ZDUSSCGKSA-N 2 2 312.442 3.409 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001553747425 1188949926 /nfs/dbraw/zinc/94/99/26/1188949926.db2.gz UBGDWHZOBXAVCM-ZDUSSCGKSA-N 2 2 312.442 3.409 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)C[C@]2(C)C1 ZINC001560187131 1189288597 /nfs/dbraw/zinc/28/85/97/1189288597.db2.gz ZKFQDOQTROHKNO-QAPCUYQASA-N 2 2 315.848 3.272 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc4cccnc43)C[C@]2(C)C1 ZINC001560187131 1189288598 /nfs/dbraw/zinc/28/85/98/1189288598.db2.gz ZKFQDOQTROHKNO-QAPCUYQASA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)C[C@]2(C)C1 ZINC001560187131 1189288602 /nfs/dbraw/zinc/28/86/02/1189288602.db2.gz ZKFQDOQTROHKNO-QAPCUYQASA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)C[C@]2(C)C1 ZINC001560187131 1189288605 /nfs/dbraw/zinc/28/86/05/1189288605.db2.gz ZKFQDOQTROHKNO-QAPCUYQASA-N 2 2 315.848 3.272 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234584 1189295877 /nfs/dbraw/zinc/29/58/77/1189295877.db2.gz JBNWDIPHBVFJMJ-LSDHHAIUSA-N 2 2 313.449 3.369 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234584 1189295878 /nfs/dbraw/zinc/29/58/78/1189295878.db2.gz JBNWDIPHBVFJMJ-LSDHHAIUSA-N 2 2 313.449 3.369 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001560245443 1189298034 /nfs/dbraw/zinc/29/80/34/1189298034.db2.gz AEQUSYCNCCIGCH-INIZCTEOSA-N 2 2 310.869 3.095 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001560245443 1189298038 /nfs/dbraw/zinc/29/80/38/1189298038.db2.gz AEQUSYCNCCIGCH-INIZCTEOSA-N 2 2 310.869 3.095 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC001560263001 1189302808 /nfs/dbraw/zinc/30/28/08/1189302808.db2.gz VYSWTLSDCLKUJW-INIZCTEOSA-N 2 2 322.412 3.035 20 0 DGADLP COc1cc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)ccn1 ZINC001560934537 1189407606 /nfs/dbraw/zinc/40/76/06/1189407606.db2.gz TWCQIDUAJAHGIF-MAUKXSAKSA-N 2 2 317.477 3.018 20 0 DGADLP COc1cc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)ccn1 ZINC001560934537 1189407609 /nfs/dbraw/zinc/40/76/09/1189407609.db2.gz TWCQIDUAJAHGIF-MAUKXSAKSA-N 2 2 317.477 3.018 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001561016310 1189421234 /nfs/dbraw/zinc/42/12/34/1189421234.db2.gz TWYWZCQTAXZPAF-OXJNMPFZSA-N 2 2 315.505 3.068 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C2CCCC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001561016310 1189421237 /nfs/dbraw/zinc/42/12/37/1189421237.db2.gz TWYWZCQTAXZPAF-OXJNMPFZSA-N 2 2 315.505 3.068 20 0 DGADLP CCC(CC)C[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001566475337 1189777795 /nfs/dbraw/zinc/77/77/95/1189777795.db2.gz LHAUEWQGBGGWMS-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP CCC(CC)C[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001566475337 1189777798 /nfs/dbraw/zinc/77/77/98/1189777798.db2.gz LHAUEWQGBGGWMS-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2nc3c(s2)CCCC3)CCCC1 ZINC001657755705 1196175279 /nfs/dbraw/zinc/17/52/79/1196175279.db2.gz ADIGYTIERGQPEM-UHFFFAOYSA-N 2 2 307.507 3.234 20 0 DGADLP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568491333 1190543657 /nfs/dbraw/zinc/54/36/57/1190543657.db2.gz OSAVPMLUSQWQEE-ZDUSSCGKSA-N 2 2 305.466 3.057 20 0 DGADLP CC[C@H](C)C[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568491333 1190543661 /nfs/dbraw/zinc/54/36/61/1190543661.db2.gz OSAVPMLUSQWQEE-ZDUSSCGKSA-N 2 2 305.466 3.057 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001570621515 1190903185 /nfs/dbraw/zinc/90/31/85/1190903185.db2.gz MIXDBEYAAPCXNR-LSDHHAIUSA-N 2 2 305.466 3.149 20 0 DGADLP CCCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001570622380 1190904234 /nfs/dbraw/zinc/90/42/34/1190904234.db2.gz WSTFAPDVZVVZLX-LSDHHAIUSA-N 2 2 316.449 3.011 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001571398436 1191014088 /nfs/dbraw/zinc/01/40/88/1191014088.db2.gz VYOTUBSWOZCXSJ-OAHLLOKOSA-N 2 2 317.477 3.247 20 0 DGADLP CC(C)=CC[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001571660105 1191077548 /nfs/dbraw/zinc/07/75/48/1191077548.db2.gz NVQUNUOUEMGZHQ-UHFFFAOYSA-N 2 2 315.461 3.166 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001575116073 1191467179 /nfs/dbraw/zinc/46/71/79/1191467179.db2.gz PHVCCIOYHJSFBH-INIZCTEOSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001575116073 1191467182 /nfs/dbraw/zinc/46/71/82/1191467182.db2.gz PHVCCIOYHJSFBH-INIZCTEOSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC001575141242 1191469172 /nfs/dbraw/zinc/46/91/72/1191469172.db2.gz MFDNVLXYUSUBDH-JKSUJKDBSA-N 2 2 308.466 3.336 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC001575141242 1191469174 /nfs/dbraw/zinc/46/91/74/1191469174.db2.gz MFDNVLXYUSUBDH-JKSUJKDBSA-N 2 2 308.466 3.336 20 0 DGADLP Cc1c(Cl)ccc2c1C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC001620523613 1193774877 /nfs/dbraw/zinc/77/48/77/1193774877.db2.gz SMEQTVVTGGYWJD-UHFFFAOYSA-N 2 2 303.837 3.373 20 0 DGADLP Cc1c(Cl)ccc2c1C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC001620523613 1193774879 /nfs/dbraw/zinc/77/48/79/1193774879.db2.gz SMEQTVVTGGYWJD-UHFFFAOYSA-N 2 2 303.837 3.373 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]3C)CC2)c1 ZINC001620705479 1193792935 /nfs/dbraw/zinc/79/29/35/1193792935.db2.gz JZVRYEBWXYTCKY-UYAOXDASSA-N 2 2 315.505 3.285 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H]3C)CC2)c1 ZINC001620705478 1193793028 /nfs/dbraw/zinc/79/30/28/1193793028.db2.gz JZVRYEBWXYTCKY-QUCCMNQESA-N 2 2 315.505 3.285 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)C[NH+](C)C ZINC001621064206 1193798689 /nfs/dbraw/zinc/79/86/89/1193798689.db2.gz SRMZODAXIYSKSF-QGZVFWFLSA-N 2 2 318.486 3.471 20 0 DGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001621552721 1193857927 /nfs/dbraw/zinc/85/79/27/1193857927.db2.gz SASJWFVEAPNNHW-NVXWUHKLSA-N 2 2 317.477 3.040 20 0 DGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001621552721 1193857930 /nfs/dbraw/zinc/85/79/30/1193857930.db2.gz SASJWFVEAPNNHW-NVXWUHKLSA-N 2 2 317.477 3.040 20 0 DGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000037536961 1193935429 /nfs/dbraw/zinc/93/54/29/1193935429.db2.gz BYZRFTAWVMYPAH-UHFFFAOYSA-N 2 2 302.340 3.159 20 0 DGADLP CCc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc(CC)[nH+]1 ZINC001640185698 1194800267 /nfs/dbraw/zinc/80/02/67/1194800267.db2.gz LOIBWDPKQLCDJD-KRWDZBQOSA-N 2 2 310.445 3.288 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001642811432 1194941466 /nfs/dbraw/zinc/94/14/66/1194941466.db2.gz CZOQCCBGBFEWEH-UWVAXJGDSA-N 2 2 316.489 3.433 20 0 DGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001644038452 1195075426 /nfs/dbraw/zinc/07/54/26/1195075426.db2.gz DQSREWSOAPOUEO-BSLXNSKLSA-N 2 2 314.351 3.138 20 0 DGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001644038452 1195075430 /nfs/dbraw/zinc/07/54/30/1195075430.db2.gz DQSREWSOAPOUEO-BSLXNSKLSA-N 2 2 314.351 3.138 20 0 DGADLP Cc1ncccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001648252810 1195287047 /nfs/dbraw/zinc/28/70/47/1195287047.db2.gz WDGAFUYWWYPEQI-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001648252810 1195287051 /nfs/dbraw/zinc/28/70/51/1195287051.db2.gz WDGAFUYWWYPEQI-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001648252810 1195287054 /nfs/dbraw/zinc/28/70/54/1195287054.db2.gz WDGAFUYWWYPEQI-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001648252810 1195287058 /nfs/dbraw/zinc/28/70/58/1195287058.db2.gz WDGAFUYWWYPEQI-RTWAWAEBSA-N 2 2 321.468 3.344 20 0 DGADLP CCC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001648531590 1195307668 /nfs/dbraw/zinc/30/76/68/1195307668.db2.gz YVIGMBKULOHGST-LJQANCHMSA-N 2 2 315.505 3.463 20 0 DGADLP CCC[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001648531590 1195307674 /nfs/dbraw/zinc/30/76/74/1195307674.db2.gz YVIGMBKULOHGST-LJQANCHMSA-N 2 2 315.505 3.463 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC001648646864 1195317531 /nfs/dbraw/zinc/31/75/31/1195317531.db2.gz FIANXXQNCGGPFS-ZDUSSCGKSA-N 2 2 315.408 3.099 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC001648646864 1195317536 /nfs/dbraw/zinc/31/75/36/1195317536.db2.gz FIANXXQNCGGPFS-ZDUSSCGKSA-N 2 2 315.408 3.099 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)c(C)c1 ZINC001650643157 1195368395 /nfs/dbraw/zinc/36/83/95/1195368395.db2.gz PLPKIHIXAHAYPC-GOSISDBHSA-N 2 2 322.518 3.311 20 0 DGADLP c1[nH+]cn2c1c(NCCC[NH+]1CCCCC1)nc1ccccc12 ZINC001651318898 1195443115 /nfs/dbraw/zinc/44/31/15/1195443115.db2.gz PRGPTCTWDCRALI-UHFFFAOYSA-N 2 2 309.417 3.170 20 0 DGADLP Cc1cc(NCC[NH+]2Cc3ccccc3C2)nc(C2CCC2)[nH+]1 ZINC001651454461 1195464028 /nfs/dbraw/zinc/46/40/28/1195464028.db2.gz UBYMVVFBZYGVJE-UHFFFAOYSA-N 2 2 308.429 3.480 20 0 DGADLP CCCCC[N@H+](CCN[C@H]1CCC[NH+](C)C1)Cc1ccccc1 ZINC001652779274 1195650715 /nfs/dbraw/zinc/65/07/15/1195650715.db2.gz MPNWQGDKIMMOPQ-FQEVSTJZSA-N 2 2 317.521 3.363 20 0 DGADLP CCCCC[N@@H+](CCN[C@H]1CCC[NH+](C)C1)Cc1ccccc1 ZINC001652779274 1195650720 /nfs/dbraw/zinc/65/07/20/1195650720.db2.gz MPNWQGDKIMMOPQ-FQEVSTJZSA-N 2 2 317.521 3.363 20 0 DGADLP CCCCC[NH+](CCN[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC001652779274 1195650722 /nfs/dbraw/zinc/65/07/22/1195650722.db2.gz MPNWQGDKIMMOPQ-FQEVSTJZSA-N 2 2 317.521 3.363 20 0 DGADLP CCCCC[NH+](CCN[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC001652779274 1195650728 /nfs/dbraw/zinc/65/07/28/1195650728.db2.gz MPNWQGDKIMMOPQ-FQEVSTJZSA-N 2 2 317.521 3.363 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)[nH+]c1 ZINC000067693202 1195658559 /nfs/dbraw/zinc/65/85/59/1195658559.db2.gz RKFNIYCDGGVKEN-UHFFFAOYSA-N 2 2 318.424 3.388 20 0 DGADLP Cn1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001653263285 1195704695 /nfs/dbraw/zinc/70/46/95/1195704695.db2.gz OZNCXLXDOLMDJF-INIZCTEOSA-N 2 2 300.450 3.356 20 0 DGADLP Cn1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001653263285 1195704698 /nfs/dbraw/zinc/70/46/98/1195704698.db2.gz OZNCXLXDOLMDJF-INIZCTEOSA-N 2 2 300.450 3.356 20 0 DGADLP CC[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC001654217959 1195785412 /nfs/dbraw/zinc/78/54/12/1195785412.db2.gz ICSDHRCLEZZIBA-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC001654217959 1195785415 /nfs/dbraw/zinc/78/54/15/1195785415.db2.gz ICSDHRCLEZZIBA-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccn3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001654521100 1195812382 /nfs/dbraw/zinc/81/23/82/1195812382.db2.gz QFMIREXHZDIOQM-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccn3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001654521100 1195812386 /nfs/dbraw/zinc/81/23/86/1195812386.db2.gz QFMIREXHZDIOQM-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](Cc1ccccn1)C2 ZINC001654521100 1195812391 /nfs/dbraw/zinc/81/23/91/1195812391.db2.gz QFMIREXHZDIOQM-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](Cc1ccccn1)C2 ZINC001654521100 1195812395 /nfs/dbraw/zinc/81/23/95/1195812395.db2.gz QFMIREXHZDIOQM-OYRHEFFESA-N 2 2 321.468 3.426 20 0 DGADLP Cc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000069747520 1195817527 /nfs/dbraw/zinc/81/75/27/1195817527.db2.gz PWXJNQWYCVLSFI-UHFFFAOYSA-N 2 2 310.441 3.117 20 0 DGADLP C[C@H]1C[N@H+](Cc2nsc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001654660671 1195828414 /nfs/dbraw/zinc/82/84/14/1195828414.db2.gz SDIXLSOXYQAYIP-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@H]1C[N@@H+](Cc2nsc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001654660671 1195828419 /nfs/dbraw/zinc/82/84/19/1195828419.db2.gz SDIXLSOXYQAYIP-AWEZNQCLSA-N 2 2 324.453 3.402 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)CCN1c1cc[nH+]cc1 ZINC001654660707 1195828665 /nfs/dbraw/zinc/82/86/65/1195828665.db2.gz UAKDRBFSTVNWAS-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CCN1c1cc[nH+]cc1 ZINC001654660707 1195828668 /nfs/dbraw/zinc/82/86/68/1195828668.db2.gz UAKDRBFSTVNWAS-CYBMUJFWSA-N 2 2 317.820 3.151 20 0 DGADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123961 1195879977 /nfs/dbraw/zinc/87/99/77/1195879977.db2.gz YUIREFLHPORCTL-YJBOKZPZSA-N 2 2 305.466 3.195 20 0 DGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@@H](C)C1 ZINC001655170995 1195885524 /nfs/dbraw/zinc/88/55/24/1195885524.db2.gz MSXZIJWMXFYSOP-XJKSGUPXSA-N 2 2 302.466 3.219 20 0 DGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)[C@@H](C)C1 ZINC001655170995 1195885527 /nfs/dbraw/zinc/88/55/27/1195885527.db2.gz MSXZIJWMXFYSOP-XJKSGUPXSA-N 2 2 302.466 3.219 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001655172779 1195885750 /nfs/dbraw/zinc/88/57/50/1195885750.db2.gz JUSYNFRCXIQJHN-IAGOWNOFSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001655172779 1195885752 /nfs/dbraw/zinc/88/57/52/1195885752.db2.gz JUSYNFRCXIQJHN-IAGOWNOFSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001655172780 1195885847 /nfs/dbraw/zinc/88/58/47/1195885847.db2.gz JUSYNFRCXIQJHN-IRXDYDNUSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001655172780 1195885850 /nfs/dbraw/zinc/88/58/50/1195885850.db2.gz JUSYNFRCXIQJHN-IRXDYDNUSA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001655172781 1195886528 /nfs/dbraw/zinc/88/65/28/1195886528.db2.gz JUSYNFRCXIQJHN-SJORKVTESA-N 2 2 302.462 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001655172781 1195886532 /nfs/dbraw/zinc/88/65/32/1195886532.db2.gz JUSYNFRCXIQJHN-SJORKVTESA-N 2 2 302.462 3.017 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001655261766 1195897002 /nfs/dbraw/zinc/89/70/02/1195897002.db2.gz UZXXMYCSWHJPCT-OAHLLOKOSA-N 2 2 312.461 3.191 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC001655261766 1195897007 /nfs/dbraw/zinc/89/70/07/1195897007.db2.gz UZXXMYCSWHJPCT-OAHLLOKOSA-N 2 2 312.461 3.191 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001655331199 1195904633 /nfs/dbraw/zinc/90/46/33/1195904633.db2.gz ZTNKXIALULMCOF-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001655331199 1195904635 /nfs/dbraw/zinc/90/46/35/1195904635.db2.gz ZTNKXIALULMCOF-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@]12C[NH+](CCOC3CC3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001655339008 1195905948 /nfs/dbraw/zinc/90/59/48/1195905948.db2.gz WOSHYGWIHWDKQR-PMACEKPBSA-N 2 2 314.473 3.009 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC001655396981 1195912265 /nfs/dbraw/zinc/91/22/65/1195912265.db2.gz ODLHGKHCITWJIG-IRXDYDNUSA-N 2 2 321.465 3.155 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC001655564428 1195932975 /nfs/dbraw/zinc/93/29/75/1195932975.db2.gz JDQRLBYZPNBKEM-INIZCTEOSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC001655564428 1195932980 /nfs/dbraw/zinc/93/29/80/1195932980.db2.gz JDQRLBYZPNBKEM-INIZCTEOSA-N 2 2 310.445 3.058 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C2 ZINC001655574306 1195933981 /nfs/dbraw/zinc/93/39/81/1195933981.db2.gz JXTRRWXJGHATBM-GDBMZVCRSA-N 2 2 302.462 3.015 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C2 ZINC001655574306 1195933984 /nfs/dbraw/zinc/93/39/84/1195933984.db2.gz JXTRRWXJGHATBM-GDBMZVCRSA-N 2 2 302.462 3.015 20 0 DGADLP CSCc1cc(F)ccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001655787458 1195962514 /nfs/dbraw/zinc/96/25/14/1195962514.db2.gz SFYAQIFKUQOWBK-UHFFFAOYSA-N 2 2 319.449 3.440 20 0 DGADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001656078553 1195995853 /nfs/dbraw/zinc/99/58/53/1195995853.db2.gz KPVKZGASVBVNAB-PXNSSMCTSA-N 2 2 316.489 3.435 20 0 DGADLP c1ccc(-c2ncc(C[NH2+]CCC[NH+]3CCCCC3)cn2)cc1 ZINC001656668988 1196059845 /nfs/dbraw/zinc/05/98/45/1196059845.db2.gz GUDAAZDUSYJCQQ-UHFFFAOYSA-N 2 2 310.445 3.109 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cccc3nsnc32)c[nH+]1 ZINC001656958514 1196086966 /nfs/dbraw/zinc/08/69/66/1196086966.db2.gz VCBOUJAQCPSCHA-UHFFFAOYSA-N 2 2 321.409 3.167 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001657155680 1196112538 /nfs/dbraw/zinc/11/25/38/1196112538.db2.gz NPTPOTXKLYYQOL-ZDUSSCGKSA-N 2 2 308.857 3.198 20 0 DGADLP Cc1nc(C)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001657310269 1196128806 /nfs/dbraw/zinc/12/88/06/1196128806.db2.gz SSQHECVSXBLBGQ-UHFFFAOYSA-N 2 2 304.444 3.297 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001658012133 1196201714 /nfs/dbraw/zinc/20/17/14/1196201714.db2.gz LHOWZKFADVVYQL-FQEVSTJZSA-N 2 2 316.489 3.281 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001658012133 1196201718 /nfs/dbraw/zinc/20/17/18/1196201718.db2.gz LHOWZKFADVVYQL-FQEVSTJZSA-N 2 2 316.489 3.281 20 0 DGADLP CC[NH+](CC)CC[C@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1 ZINC001658166258 1196220087 /nfs/dbraw/zinc/22/00/87/1196220087.db2.gz KPXKRGZTXPKOLK-SFHVURJKSA-N 2 2 313.445 3.350 20 0 DGADLP Cc1cc(F)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(F)c1 ZINC001658807149 1196303727 /nfs/dbraw/zinc/30/37/27/1196303727.db2.gz XMTHUWSUHJFBFI-AWEZNQCLSA-N 2 2 317.383 3.379 20 0 DGADLP Cc1cc(F)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(F)c1 ZINC001658807149 1196303732 /nfs/dbraw/zinc/30/37/32/1196303732.db2.gz XMTHUWSUHJFBFI-AWEZNQCLSA-N 2 2 317.383 3.379 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001658904241 1196317147 /nfs/dbraw/zinc/31/71/47/1196317147.db2.gz HXJKRXJPLFYDHV-YTQUADARSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001658904241 1196317151 /nfs/dbraw/zinc/31/71/51/1196317151.db2.gz HXJKRXJPLFYDHV-YTQUADARSA-N 2 2 302.462 3.056 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)c1 ZINC001658932002 1196321052 /nfs/dbraw/zinc/32/10/52/1196321052.db2.gz UUGJELUFCCWCHC-INIZCTEOSA-N 2 2 317.477 3.429 20 0 DGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC[C@@H]1C[C@@H]1C ZINC001659143363 1196352159 /nfs/dbraw/zinc/35/21/59/1196352159.db2.gz FXFCTBMWBZOBBV-GJZGRUSLSA-N 2 2 300.450 3.446 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001659652482 1196403009 /nfs/dbraw/zinc/40/30/09/1196403009.db2.gz GWKNZFBEPRRYOZ-KRWDZBQOSA-N 2 2 316.489 3.264 20 0 DGADLP CCCCCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001659846807 1196421012 /nfs/dbraw/zinc/42/10/12/1196421012.db2.gz IQMPIQABNSOAEL-YLJYHZDGSA-N 2 2 318.505 3.354 20 0 DGADLP CCCCCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001659846807 1196421015 /nfs/dbraw/zinc/42/10/15/1196421015.db2.gz IQMPIQABNSOAEL-YLJYHZDGSA-N 2 2 318.505 3.354 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000076396902 1196478038 /nfs/dbraw/zinc/47/80/38/1196478038.db2.gz RJWKKWMLXYDZOK-HUUCEWRRSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000076396902 1196478040 /nfs/dbraw/zinc/47/80/40/1196478040.db2.gz RJWKKWMLXYDZOK-HUUCEWRRSA-N 2 2 314.351 3.302 20 0 DGADLP CCOC(=O)C1(C)CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001660517193 1196493696 /nfs/dbraw/zinc/49/36/96/1196493696.db2.gz RZTNLXBRGGHWKR-URSIVYNOSA-N 2 2 322.493 3.105 20 0 DGADLP CCOC(=O)C1(C)CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001660517193 1196493698 /nfs/dbraw/zinc/49/36/98/1196493698.db2.gz RZTNLXBRGGHWKR-URSIVYNOSA-N 2 2 322.493 3.105 20 0 DGADLP COc1cc(C)[nH+]c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)c1 ZINC001660591912 1196501073 /nfs/dbraw/zinc/50/10/73/1196501073.db2.gz MIQHCQFQVBGFOP-MJGOQNOKSA-N 2 2 317.477 3.093 20 0 DGADLP CC(C)COCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001660677662 1196511163 /nfs/dbraw/zinc/51/11/63/1196511163.db2.gz PWOYXZKXWFUVDL-INIZCTEOSA-N 2 2 307.482 3.490 20 0 DGADLP CC(C)c1cccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001660828021 1196530945 /nfs/dbraw/zinc/53/09/45/1196530945.db2.gz JMYXKAFGHXSBMZ-IRXDYDNUSA-N 2 2 304.478 3.399 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001660879990 1196538418 /nfs/dbraw/zinc/53/84/18/1196538418.db2.gz NFUWOCAAKWSKDX-RBUKOAKNSA-N 2 2 313.445 3.369 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001660968835 1196547434 /nfs/dbraw/zinc/54/74/34/1196547434.db2.gz UPZUCPMRRPDQPL-HNNXBMFYSA-N 2 2 300.450 3.049 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3n2C(C)C)C1 ZINC001660968835 1196547435 /nfs/dbraw/zinc/54/74/35/1196547435.db2.gz UPZUCPMRRPDQPL-HNNXBMFYSA-N 2 2 300.450 3.049 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C)c2Br)C1 ZINC001660968866 1196547759 /nfs/dbraw/zinc/54/77/59/1196547759.db2.gz WAHYRSYNKFOHBA-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C)c2Br)C1 ZINC001660968866 1196547762 /nfs/dbraw/zinc/54/77/62/1196547762.db2.gz WAHYRSYNKFOHBA-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC001661634454 1196626072 /nfs/dbraw/zinc/62/60/72/1196626072.db2.gz NXGSOQKCCREESQ-AEFFLSMTSA-N 2 2 306.519 3.282 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001662511409 1196727117 /nfs/dbraw/zinc/72/71/17/1196727117.db2.gz BQXNJXKPBUCHAD-KZNAEPCWSA-N 2 2 310.526 3.418 20 0 DGADLP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001662511409 1196727118 /nfs/dbraw/zinc/72/71/18/1196727118.db2.gz BQXNJXKPBUCHAD-KZNAEPCWSA-N 2 2 310.526 3.418 20 0 DGADLP COc1ccccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000078908456 1196816261 /nfs/dbraw/zinc/81/62/61/1196816261.db2.gz MTJONBSAYYUHHD-UHFFFAOYSA-N 2 2 307.397 3.230 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@H]2C1 ZINC001663482850 1196883533 /nfs/dbraw/zinc/88/35/33/1196883533.db2.gz FPNRTWVTJVZVQV-CQDKDKBSSA-N 2 2 319.499 3.301 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)[C@H]2C1 ZINC001663482850 1196883540 /nfs/dbraw/zinc/88/35/40/1196883540.db2.gz FPNRTWVTJVZVQV-CQDKDKBSSA-N 2 2 319.499 3.301 20 0 DGADLP CCCn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC001663836502 1196949498 /nfs/dbraw/zinc/94/94/98/1196949498.db2.gz MBYPCHLBMRGENM-GOSISDBHSA-N 2 2 304.482 3.052 20 0 DGADLP CCCn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)n1 ZINC001663836502 1196949499 /nfs/dbraw/zinc/94/94/99/1196949499.db2.gz MBYPCHLBMRGENM-GOSISDBHSA-N 2 2 304.482 3.052 20 0 DGADLP CC[NH+](CC)CCN(Cc1c[nH+]c2ccc(C)cn12)CC(C)C ZINC001663870911 1196952904 /nfs/dbraw/zinc/95/29/04/1196952904.db2.gz RYRDWPQSXDKIPK-UHFFFAOYSA-N 2 2 316.493 3.443 20 0 DGADLP COc1cccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C(C)(C)C)C2)c1 ZINC001665217560 1197110426 /nfs/dbraw/zinc/11/04/26/1197110426.db2.gz HTYYTJNFKPGEQD-JCYILVPMSA-N 2 2 302.462 3.404 20 0 DGADLP COc1cccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C(C)(C)C)C2)c1 ZINC001665217560 1197110428 /nfs/dbraw/zinc/11/04/28/1197110428.db2.gz HTYYTJNFKPGEQD-JCYILVPMSA-N 2 2 302.462 3.404 20 0 DGADLP CC1(C)CC[N@H+](C[C@@H]2CCOc3ccccc32)CC(C)(C)[NH2+]1 ZINC001665931670 1197217982 /nfs/dbraw/zinc/21/79/82/1197217982.db2.gz QOQCRCITVSBRLS-HNNXBMFYSA-N 2 2 302.462 3.405 20 0 DGADLP CC1(C)CC[N@@H+](C[C@@H]2CCOc3ccccc32)CC(C)(C)[NH2+]1 ZINC001665931670 1197217986 /nfs/dbraw/zinc/21/79/86/1197217986.db2.gz QOQCRCITVSBRLS-HNNXBMFYSA-N 2 2 302.462 3.405 20 0 DGADLP COc1ccccc1C1CC[NH+](C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000205136342 1197653779 /nfs/dbraw/zinc/65/37/79/1197653779.db2.gz CGGCPBQTXBHMCQ-LJQANCHMSA-N 2 2 324.468 3.445 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000380996825 1197705348 /nfs/dbraw/zinc/70/53/48/1197705348.db2.gz MUNBRXCAFHRVHL-RDTXWAMCSA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000380996825 1197705349 /nfs/dbraw/zinc/70/53/49/1197705349.db2.gz MUNBRXCAFHRVHL-RDTXWAMCSA-N 2 2 310.445 3.422 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000390537936 1197712253 /nfs/dbraw/zinc/71/22/53/1197712253.db2.gz PSJLUQXJAPLBOY-UFYCRDLUSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000390537936 1197712258 /nfs/dbraw/zinc/71/22/58/1197712258.db2.gz PSJLUQXJAPLBOY-UFYCRDLUSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674947384 1197930937 /nfs/dbraw/zinc/93/09/37/1197930937.db2.gz AAIMFRJBKJKJSI-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674947384 1197930947 /nfs/dbraw/zinc/93/09/47/1197930947.db2.gz AAIMFRJBKJKJSI-CQSZACIVSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000105456999 1199542724 /nfs/dbraw/zinc/54/27/24/1199542724.db2.gz HYFQQPMJGPQOBD-AWEZNQCLSA-N 2 2 320.868 3.198 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000105456999 1199542728 /nfs/dbraw/zinc/54/27/28/1199542728.db2.gz HYFQQPMJGPQOBD-AWEZNQCLSA-N 2 2 320.868 3.198 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276340 1199591076 /nfs/dbraw/zinc/59/10/76/1199591076.db2.gz DXQSWYGCFPZVMZ-LPHOPBHVSA-N 2 2 310.441 3.435 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000303276340 1199591079 /nfs/dbraw/zinc/59/10/79/1199591079.db2.gz DXQSWYGCFPZVMZ-LPHOPBHVSA-N 2 2 310.441 3.435 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000108428125 1199604416 /nfs/dbraw/zinc/60/44/16/1199604416.db2.gz LBMQMQNCJDCZKK-CQSZACIVSA-N 2 2 312.889 3.076 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000108428125 1199604419 /nfs/dbraw/zinc/60/44/19/1199604419.db2.gz LBMQMQNCJDCZKK-CQSZACIVSA-N 2 2 312.889 3.076 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000108427900 1199604761 /nfs/dbraw/zinc/60/47/61/1199604761.db2.gz XHUNTFAVMCOLKL-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000108427900 1199604764 /nfs/dbraw/zinc/60/47/64/1199604764.db2.gz XHUNTFAVMCOLKL-LBPRGKRZSA-N 2 2 307.488 3.303 20 0 DGADLP C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305702654 1199684415 /nfs/dbraw/zinc/68/44/15/1199684415.db2.gz DITSVDXYHJWQEV-OXQOHEQNSA-N 2 2 321.424 3.474 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000305702655 1199685095 /nfs/dbraw/zinc/68/50/95/1199685095.db2.gz DITSVDXYHJWQEV-UZLBHIALSA-N 2 2 321.424 3.474 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000117385056 1199826372 /nfs/dbraw/zinc/82/63/72/1199826372.db2.gz SRIGZWGLTDIXLM-KRWDZBQOSA-N 2 2 315.486 3.106 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000117385056 1199826377 /nfs/dbraw/zinc/82/63/77/1199826377.db2.gz SRIGZWGLTDIXLM-KRWDZBQOSA-N 2 2 315.486 3.106 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000120065373 1200130891 /nfs/dbraw/zinc/13/08/91/1200130891.db2.gz CFRWXJNLOAGVFX-PXNSSMCTSA-N 2 2 315.505 3.112 20 0 DGADLP C[N@@H+]1Cc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2C1 ZINC000121319085 1200207379 /nfs/dbraw/zinc/20/73/79/1200207379.db2.gz FFCNXYQAXLPOLA-UHFFFAOYSA-N 2 2 304.397 3.430 20 0 DGADLP C[N@H+]1Cc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2C1 ZINC000121319085 1200207386 /nfs/dbraw/zinc/20/73/86/1200207386.db2.gz FFCNXYQAXLPOLA-UHFFFAOYSA-N 2 2 304.397 3.430 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000121728051 1200229290 /nfs/dbraw/zinc/22/92/90/1200229290.db2.gz LCZMZBNCUJCFBC-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP CCC(CC)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755239858 1200726515 /nfs/dbraw/zinc/72/65/15/1200726515.db2.gz HYPODWYYTIZFCW-QWHCGFSZSA-N 2 2 316.449 3.096 20 0 DGADLP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755596489 1200977613 /nfs/dbraw/zinc/97/76/13/1200977613.db2.gz JAXSVERRRFEQJQ-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1ncccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000130985425 1201090518 /nfs/dbraw/zinc/09/05/18/1201090518.db2.gz RIQZBCPIWMHZES-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP CCOC(=O)CC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000137921219 1202226354 /nfs/dbraw/zinc/22/63/54/1202226354.db2.gz MDHYZWKYCGNKQM-FUHWJXTLSA-N 2 2 318.461 3.145 20 0 DGADLP CC(C)=CC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700376601 1202254541 /nfs/dbraw/zinc/25/45/41/1202254541.db2.gz AQFUQWIQBXGNOA-UHFFFAOYSA-N 2 2 315.461 3.071 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000151160788 1202591684 /nfs/dbraw/zinc/59/16/84/1202591684.db2.gz ICWJUIRROVVAOU-ZDUSSCGKSA-N 2 2 322.250 3.257 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1Br ZINC000156860683 1202601524 /nfs/dbraw/zinc/60/15/24/1202601524.db2.gz UVWBQFUZBPKVEB-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1Br ZINC000156860683 1202601525 /nfs/dbraw/zinc/60/15/25/1202601525.db2.gz UVWBQFUZBPKVEB-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1Br ZINC000156860586 1202601595 /nfs/dbraw/zinc/60/15/95/1202601595.db2.gz UVWBQFUZBPKVEB-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1Br ZINC000156860586 1202601596 /nfs/dbraw/zinc/60/15/96/1202601596.db2.gz UVWBQFUZBPKVEB-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158643846 1202603871 /nfs/dbraw/zinc/60/38/71/1202603871.db2.gz VGWYEEUJDLZBPI-HDICACEKSA-N 3 2 309.542 3.064 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158643846 1202603872 /nfs/dbraw/zinc/60/38/72/1202603872.db2.gz VGWYEEUJDLZBPI-HDICACEKSA-N 3 2 309.542 3.064 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000236858168 1202629602 /nfs/dbraw/zinc/62/96/02/1202629602.db2.gz LFVFRGDMUKLHNN-UHFFFAOYSA-N 2 2 316.367 3.202 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000236921650 1202635591 /nfs/dbraw/zinc/63/55/91/1202635591.db2.gz DAQFWVQDZYMRLB-UHFFFAOYSA-N 2 2 318.852 3.100 20 0 DGADLP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713409887 1202646974 /nfs/dbraw/zinc/64/69/74/1202646974.db2.gz BWUSWXHIISBESE-WSNITJDQSA-N 2 2 314.433 3.017 20 0 DGADLP CC[N@H+](CCCC(C)C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713487616 1202658349 /nfs/dbraw/zinc/65/83/49/1202658349.db2.gz WBMQLPFFDLXVLX-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC[N@@H+](CCCC(C)C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713487616 1202658350 /nfs/dbraw/zinc/65/83/50/1202658350.db2.gz WBMQLPFFDLXVLX-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000237748471 1202694739 /nfs/dbraw/zinc/69/47/39/1202694739.db2.gz RJWKKWMLXYDZOK-CABCVRRESA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237748471 1202694740 /nfs/dbraw/zinc/69/47/40/1202694740.db2.gz RJWKKWMLXYDZOK-CABCVRRESA-N 2 2 314.351 3.302 20 0 DGADLP CCC(CC)C[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715522208 1203360260 /nfs/dbraw/zinc/36/02/60/1203360260.db2.gz JLXZILOZJBBIQM-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP CCC(CC)C[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715522208 1203360261 /nfs/dbraw/zinc/36/02/61/1203360261.db2.gz JLXZILOZJBBIQM-UHFFFAOYSA-N 2 2 316.449 3.003 20 0 DGADLP CCC(CC)C[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001715744731 1203386875 /nfs/dbraw/zinc/38/68/75/1203386875.db2.gz NOHZAVZCMQZGSD-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763741 1203590423 /nfs/dbraw/zinc/59/04/23/1203590423.db2.gz NKEMKWOMADNREW-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163763741 1203590424 /nfs/dbraw/zinc/59/04/24/1203590424.db2.gz NKEMKWOMADNREW-CMPLNLGQSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[nH+]c2ccccc12 ZINC000247849587 1203783600 /nfs/dbraw/zinc/78/36/00/1203783600.db2.gz ULVZKZJNXGTKDF-HOTGVXAUSA-N 2 2 313.445 3.454 20 0 DGADLP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000169279790 1203820430 /nfs/dbraw/zinc/82/04/30/1203820430.db2.gz BJNCZZAXGQTCKR-UHFFFAOYSA-N 2 2 323.444 3.020 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001723929016 1203999004 /nfs/dbraw/zinc/99/90/04/1203999004.db2.gz UXJCBDAMTCNLJC-KRWDZBQOSA-N 2 2 315.461 3.001 20 0 DGADLP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725179701 1204112657 /nfs/dbraw/zinc/11/26/57/1204112657.db2.gz USGOJTVPLPCUAK-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725179701 1204112659 /nfs/dbraw/zinc/11/26/59/1204112659.db2.gz USGOJTVPLPCUAK-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP CCC[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)(C)C ZINC001725748900 1204211225 /nfs/dbraw/zinc/21/12/25/1204211225.db2.gz YFKBMYCAKFYOEA-HOTGVXAUSA-N 2 2 322.497 3.001 20 0 DGADLP CCC/C=C/CC[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001731938241 1204632069 /nfs/dbraw/zinc/63/20/69/1204632069.db2.gz UKECVSIYOLRXLR-CMDGGOBGSA-N 2 2 317.477 3.415 20 0 DGADLP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001732524325 1204880700 /nfs/dbraw/zinc/88/07/00/1204880700.db2.gz MGFHZUVBGSTDGN-RDJZCZTQSA-N 2 2 317.477 3.247 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001733537826 1205157985 /nfs/dbraw/zinc/15/79/85/1205157985.db2.gz SILIVVSUDPUPRV-RDJZCZTQSA-N 2 2 317.477 3.103 20 0 DGADLP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001733539649 1205158398 /nfs/dbraw/zinc/15/83/98/1205158398.db2.gz YNWWFBVQNZPFNF-WBVHZDCISA-N 2 2 317.477 3.247 20 0 DGADLP COc1cc2cc[nH+]c(N3CCC(C[NH+](C)C)CC3)c2cc1F ZINC000360965478 721951042 /nfs/dbraw/zinc/95/10/42/721951042.db2.gz GIUGVTXHBWZUHR-UHFFFAOYSA-N 2 2 317.408 3.161 20 0 DGADLP Cc1c[nH]c2nc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c12 ZINC001165048821 721964643 /nfs/dbraw/zinc/96/46/43/721964643.db2.gz ZRDLOEOUCATLCB-HNNXBMFYSA-N 2 2 313.449 3.111 20 0 DGADLP COc1cc(C)c[nH+]c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049787 721973679 /nfs/dbraw/zinc/97/36/79/721973679.db2.gz RGPIEJNZJCCRLG-INIZCTEOSA-N 2 2 303.450 3.243 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760259 1081595534 /nfs/dbraw/zinc/59/55/34/1081595534.db2.gz BPQPFFQYAZGDDY-SEBOUTGESA-N 2 2 323.278 3.482 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C/C(Br)=C/c1ccccc1 ZINC001206760259 1081595541 /nfs/dbraw/zinc/59/55/41/1081595541.db2.gz BPQPFFQYAZGDDY-SEBOUTGESA-N 2 2 323.278 3.482 20 0 DGADLP C[C@H]1CC(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC001209378534 1081714430 /nfs/dbraw/zinc/71/44/30/1081714430.db2.gz BNAQTUAZKGVUKL-GJZGRUSLSA-N 2 2 304.434 3.128 20 0 DGADLP COc1ccc2c(cc[nH+]c2N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167124141 1081728057 /nfs/dbraw/zinc/72/80/57/1081728057.db2.gz WXNWNGUBBVFPRE-UHFFFAOYSA-N 2 2 308.385 3.281 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210495762 1081969448 /nfs/dbraw/zinc/96/94/48/1081969448.db2.gz BMHOBZMXVCTQTC-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210495762 1081969452 /nfs/dbraw/zinc/96/94/52/1081969452.db2.gz BMHOBZMXVCTQTC-ZDUSSCGKSA-N 2 2 301.459 3.302 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(N(C)C(C)(C)C[NH3+])ccc21 ZINC001170060939 1081973401 /nfs/dbraw/zinc/97/34/01/1081973401.db2.gz YCHCWBFOHXXWRG-UHFFFAOYSA-N 2 2 324.428 3.208 20 0 DGADLP Cc1cc(N2CC[NH+]([C@@H](C)CCCC(C)C)CC2)nc(C)[nH+]1 ZINC001170083612 1082024810 /nfs/dbraw/zinc/02/48/10/1082024810.db2.gz QUIPBPUGOCDQAI-INIZCTEOSA-N 2 2 304.482 3.430 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139729 1082183742 /nfs/dbraw/zinc/18/37/42/1082183742.db2.gz WMUMZYQZZNNIOY-LVQVYYBASA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001170139729 1082183744 /nfs/dbraw/zinc/18/37/44/1082183744.db2.gz WMUMZYQZZNNIOY-LVQVYYBASA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001170139729 1082183746 /nfs/dbraw/zinc/18/37/46/1082183746.db2.gz WMUMZYQZZNNIOY-LVQVYYBASA-N 2 2 305.491 3.228 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001170139729 1082183747 /nfs/dbraw/zinc/18/37/47/1082183747.db2.gz WMUMZYQZZNNIOY-LVQVYYBASA-N 2 2 305.491 3.228 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CCO1 ZINC001170176865 1082304353 /nfs/dbraw/zinc/30/43/53/1082304353.db2.gz BZGQDQFEKFNWOH-SLFFLAALSA-N 2 2 316.489 3.241 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC001167508582 1082465657 /nfs/dbraw/zinc/46/56/57/1082465657.db2.gz HFDXKCBICIHOGB-BQFCYCMXSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC001167508582 1082465659 /nfs/dbraw/zinc/46/56/59/1082465659.db2.gz HFDXKCBICIHOGB-BQFCYCMXSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC001167508582 1082465662 /nfs/dbraw/zinc/46/56/62/1082465662.db2.gz HFDXKCBICIHOGB-BQFCYCMXSA-N 2 2 322.493 3.316 20 0 DGADLP CCc1ccc([C@@H]2C[C@@H](C)CC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC001167508582 1082465667 /nfs/dbraw/zinc/46/56/67/1082465667.db2.gz HFDXKCBICIHOGB-BQFCYCMXSA-N 2 2 322.493 3.316 20 0 DGADLP COCCOc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc[nH+]1 ZINC001170454447 1082481014 /nfs/dbraw/zinc/48/10/14/1082481014.db2.gz RRDOCPPBFCZPKM-UHFFFAOYSA-N 2 2 321.465 3.170 20 0 DGADLP Nc1cc(CNc2ccc(SC3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001167618379 1082610979 /nfs/dbraw/zinc/61/09/79/1082610979.db2.gz ICDKLJZJQLRTGA-UHFFFAOYSA-N 2 2 314.458 3.120 20 0 DGADLP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC(C)(C)CC1 ZINC001167658051 1082668197 /nfs/dbraw/zinc/66/81/97/1082668197.db2.gz BLARRWWBYJXBQF-LJQANCHMSA-N 2 2 318.505 3.380 20 0 DGADLP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC(C)(C)CC1 ZINC001167658051 1082668198 /nfs/dbraw/zinc/66/81/98/1082668198.db2.gz BLARRWWBYJXBQF-LJQANCHMSA-N 2 2 318.505 3.380 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CCC(C)(C)CC1 ZINC001167658051 1082668202 /nfs/dbraw/zinc/66/82/02/1082668202.db2.gz BLARRWWBYJXBQF-LJQANCHMSA-N 2 2 318.505 3.380 20 0 DGADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC001167658051 1082668203 /nfs/dbraw/zinc/66/82/03/1082668203.db2.gz BLARRWWBYJXBQF-LJQANCHMSA-N 2 2 318.505 3.380 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001131562654 1082688075 /nfs/dbraw/zinc/68/80/75/1082688075.db2.gz DBUORYMGCIOLLN-OAHLLOKOSA-N 2 2 311.429 3.087 20 0 DGADLP CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133001666 1083027509 /nfs/dbraw/zinc/02/75/09/1083027509.db2.gz DTONZDLHAYIGLJ-SUMWQHHRSA-N 2 2 317.477 3.105 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000708837983 1083046384 /nfs/dbraw/zinc/04/63/84/1083046384.db2.gz SZUAIMDWPYRHID-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Br)C[C@H]1C[NH3+] ZINC000708837983 1083046385 /nfs/dbraw/zinc/04/63/85/1083046385.db2.gz SZUAIMDWPYRHID-GXSJLCMTSA-N 2 2 317.658 3.129 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001170683959 1083117864 /nfs/dbraw/zinc/11/78/64/1083117864.db2.gz ATRNTNHTSGGAJO-OAHLLOKOSA-N 2 2 313.351 3.260 20 0 DGADLP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739401 1083326311 /nfs/dbraw/zinc/32/63/11/1083326311.db2.gz DNDKGFLFHRRKGR-UONOGXRCSA-N 2 2 316.449 3.240 20 0 DGADLP Cc1ccc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)c(C)[nH+]1 ZINC001203374414 1083839475 /nfs/dbraw/zinc/83/94/75/1083839475.db2.gz ZCKNIHWFZUKNGH-UHFFFAOYSA-N 2 2 312.417 3.310 20 0 DGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918074 1083840809 /nfs/dbraw/zinc/84/08/09/1083840809.db2.gz JAUHKMRNTJBZTD-PMACEKPBSA-N 2 2 316.489 3.241 20 0 DGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918074 1083840826 /nfs/dbraw/zinc/84/08/26/1083840826.db2.gz JAUHKMRNTJBZTD-PMACEKPBSA-N 2 2 316.489 3.241 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001167835712 1084159023 /nfs/dbraw/zinc/15/90/23/1084159023.db2.gz UDANGJGKCZCLGS-MSOLQXFVSA-N 3 2 319.493 3.354 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001167835712 1084159031 /nfs/dbraw/zinc/15/90/31/1084159031.db2.gz UDANGJGKCZCLGS-MSOLQXFVSA-N 3 2 319.493 3.354 20 0 DGADLP COc1cc(F)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205296436 1084173247 /nfs/dbraw/zinc/17/32/47/1084173247.db2.gz PFPGOAJPCTZCOW-HNNXBMFYSA-N 2 2 300.805 3.191 20 0 DGADLP COc1cc(F)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205296436 1084173251 /nfs/dbraw/zinc/17/32/51/1084173251.db2.gz PFPGOAJPCTZCOW-HNNXBMFYSA-N 2 2 300.805 3.191 20 0 DGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001184453387 1084186421 /nfs/dbraw/zinc/18/64/21/1084186421.db2.gz JDMKMFSGYSKOCH-QGZVFWFLSA-N 2 2 317.477 3.391 20 0 DGADLP CCc1cc(NCC[N@@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001184775215 1084263328 /nfs/dbraw/zinc/26/33/28/1084263328.db2.gz ICWZRMCRMBEKHG-UHFFFAOYSA-N 2 2 310.445 3.072 20 0 DGADLP CCc1cc(NCC[N@H+]2CCc3ccccc3C2)nc(CC)[nH+]1 ZINC001184775215 1084263341 /nfs/dbraw/zinc/26/33/41/1084263341.db2.gz ICWZRMCRMBEKHG-UHFFFAOYSA-N 2 2 310.445 3.072 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc3sccc3nc2Cl)C[C@H]1C[NH3+] ZINC001205319082 1084308350 /nfs/dbraw/zinc/30/83/50/1084308350.db2.gz YKIYZUWYNDHNDG-ZYHUDNBSSA-N 2 2 309.866 3.366 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc3sccc3nc2Cl)C[C@H]1C[NH3+] ZINC001205319082 1084308359 /nfs/dbraw/zinc/30/83/59/1084308359.db2.gz YKIYZUWYNDHNDG-ZYHUDNBSSA-N 2 2 309.866 3.366 20 0 DGADLP CCc1cc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184998576 1084319374 /nfs/dbraw/zinc/31/93/74/1084319374.db2.gz FARXAABFUOJSPI-ZNMIVQPWSA-N 2 2 304.482 3.380 20 0 DGADLP CCc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(CC)[nH+]1 ZINC001184998576 1084319380 /nfs/dbraw/zinc/31/93/80/1084319380.db2.gz FARXAABFUOJSPI-ZNMIVQPWSA-N 2 2 304.482 3.380 20 0 DGADLP C[NH+](C)[C@@H]1CCCC[C@H]1Nc1nc2ccccc2n2c[nH+]cc12 ZINC001185254480 1084394429 /nfs/dbraw/zinc/39/44/29/1084394429.db2.gz VSZUHXKYJMQLQR-UKRRQHHQSA-N 2 2 309.417 3.167 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167914866 1084644805 /nfs/dbraw/zinc/64/48/05/1084644805.db2.gz XNTSCCGSSUCQNS-HGKCTWBKSA-N 2 2 302.437 3.487 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(C)[nH+]1 ZINC001186695660 1084688649 /nfs/dbraw/zinc/68/86/49/1084688649.db2.gz FWKDBPCYKXHFJA-OAHLLOKOSA-N 2 2 310.445 3.058 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C)[nH+]1 ZINC001186695660 1084688655 /nfs/dbraw/zinc/68/86/55/1084688655.db2.gz FWKDBPCYKXHFJA-OAHLLOKOSA-N 2 2 310.445 3.058 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001482125293 1084846368 /nfs/dbraw/zinc/84/63/68/1084846368.db2.gz WAMHDMMUOLQZEI-OLZOCXBDSA-N 2 2 305.466 3.008 20 0 DGADLP Clc1ccnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958702 1085623244 /nfs/dbraw/zinc/62/32/44/1085623244.db2.gz ISWPPGGGLBVELF-ZXFUBFMLSA-N 2 2 305.853 3.230 20 0 DGADLP Clc1ccnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958702 1085623248 /nfs/dbraw/zinc/62/32/48/1085623248.db2.gz ISWPPGGGLBVELF-ZXFUBFMLSA-N 2 2 305.853 3.230 20 0 DGADLP CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001270098458 1085690542 /nfs/dbraw/zinc/69/05/42/1085690542.db2.gz RJNXVWSYMQNGLN-INIZCTEOSA-N 2 2 303.450 3.001 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CCC(C)C)c(C)[nH+]1 ZINC001270461369 1085823255 /nfs/dbraw/zinc/82/32/55/1085823255.db2.gz YXKRVMQHCIWUHL-ZDUSSCGKSA-N 2 2 305.466 3.008 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CO2 ZINC001167969091 1085901001 /nfs/dbraw/zinc/90/10/01/1085901001.db2.gz ZZGIZUSJCLUXEM-MMNRESRNSA-N 2 2 316.420 3.254 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CO2 ZINC001167969091 1085901011 /nfs/dbraw/zinc/90/10/11/1085901011.db2.gz ZZGIZUSJCLUXEM-MMNRESRNSA-N 2 2 316.420 3.254 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC(C)([NH3+])CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025334 1086432928 /nfs/dbraw/zinc/43/29/28/1086432928.db2.gz JOZMCIXHEZYHDE-IZZQQSIFSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC(C)([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025334 1086432933 /nfs/dbraw/zinc/43/29/33/1086432933.db2.gz JOZMCIXHEZYHDE-IZZQQSIFSA-N 3 2 315.505 3.241 20 0 DGADLP CO[C@@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041067 1086503596 /nfs/dbraw/zinc/50/35/96/1086503596.db2.gz QLSRGDPXNUBOGO-STEAMIEHSA-N 2 2 320.452 3.097 20 0 DGADLP CO[C@@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001168041067 1086503603 /nfs/dbraw/zinc/50/36/03/1086503603.db2.gz QLSRGDPXNUBOGO-STEAMIEHSA-N 2 2 320.452 3.097 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041776 1086510559 /nfs/dbraw/zinc/51/05/59/1086510559.db2.gz VHZARFCUNCMFJC-LZKBNWESSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041776 1086510565 /nfs/dbraw/zinc/51/05/65/1086510565.db2.gz VHZARFCUNCMFJC-LZKBNWESSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041776 1086510572 /nfs/dbraw/zinc/51/05/72/1086510572.db2.gz VHZARFCUNCMFJC-LZKBNWESSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041776 1086510577 /nfs/dbraw/zinc/51/05/77/1086510577.db2.gz VHZARFCUNCMFJC-LZKBNWESSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCO[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042341 1086512033 /nfs/dbraw/zinc/51/20/33/1086512033.db2.gz ZAVVVXBXGNIORV-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042341 1086512038 /nfs/dbraw/zinc/51/20/38/1086512038.db2.gz ZAVVVXBXGNIORV-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCO[C@@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042341 1086512042 /nfs/dbraw/zinc/51/20/42/1086512042.db2.gz ZAVVVXBXGNIORV-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCO[C@@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042341 1086512048 /nfs/dbraw/zinc/51/20/48/1086512048.db2.gz ZAVVVXBXGNIORV-ZMMAXQRCSA-N 2 2 302.462 3.149 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2C)C1 ZINC001205009192 1086527140 /nfs/dbraw/zinc/52/71/40/1086527140.db2.gz IVPZWKDXAIYSGD-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2C)C1 ZINC001205009192 1086527147 /nfs/dbraw/zinc/52/71/47/1086527147.db2.gz IVPZWKDXAIYSGD-CYBMUJFWSA-N 2 2 300.368 3.445 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC3(CC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058658 1086632857 /nfs/dbraw/zinc/63/28/57/1086632857.db2.gz QPWAKBJFKPDFAY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC3(CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058658 1086632861 /nfs/dbraw/zinc/63/28/61/1086632861.db2.gz QPWAKBJFKPDFAY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOC3(CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058658 1086632867 /nfs/dbraw/zinc/63/28/67/1086632867.db2.gz QPWAKBJFKPDFAY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOC3(CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058658 1086632872 /nfs/dbraw/zinc/63/28/72/1086632872.db2.gz QPWAKBJFKPDFAY-IZZQQSIFSA-N 2 2 314.473 3.293 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168063695 1086648277 /nfs/dbraw/zinc/64/82/77/1086648277.db2.gz FDUWGNLQQVMWOE-QINHECLXSA-N 2 2 314.473 3.481 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168063695 1086648283 /nfs/dbraw/zinc/64/82/83/1086648283.db2.gz FDUWGNLQQVMWOE-QINHECLXSA-N 2 2 314.473 3.481 20 0 DGADLP C[NH+](C)C1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001168330512 1087296667 /nfs/dbraw/zinc/29/66/67/1087296667.db2.gz RIXSSAIQZRJHBN-UHFFFAOYSA-N 3 2 307.526 3.198 20 0 DGADLP C[NH+](C)C1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001168330512 1087296672 /nfs/dbraw/zinc/29/66/72/1087296672.db2.gz RIXSSAIQZRJHBN-UHFFFAOYSA-N 3 2 307.526 3.198 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)onc1-c1ccccc1 ZINC001168352763 1087305462 /nfs/dbraw/zinc/30/54/62/1087305462.db2.gz CYHCMXIJEMEQPN-UHFFFAOYSA-N 2 2 311.429 3.306 20 0 DGADLP Fc1ncccc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168369128 1087432908 /nfs/dbraw/zinc/43/29/08/1087432908.db2.gz XSJUBHLCVMXIPE-KRWDZBQOSA-N 2 2 303.425 3.136 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001168415007 1087589589 /nfs/dbraw/zinc/58/95/89/1087589589.db2.gz LJYXCSWQTRNVPB-QZTJIDSGSA-N 2 2 302.437 3.290 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001168415007 1087589591 /nfs/dbraw/zinc/58/95/91/1087589591.db2.gz LJYXCSWQTRNVPB-QZTJIDSGSA-N 2 2 302.437 3.290 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168421803 1087609214 /nfs/dbraw/zinc/60/92/14/1087609214.db2.gz TWCOVFIVDFNQLE-UXHICEINSA-N 2 2 310.416 3.069 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168421803 1087609216 /nfs/dbraw/zinc/60/92/16/1087609216.db2.gz TWCOVFIVDFNQLE-UXHICEINSA-N 2 2 310.416 3.069 20 0 DGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168447594 1087780842 /nfs/dbraw/zinc/78/08/42/1087780842.db2.gz FHIQMKQODDDEOL-LJQANCHMSA-N 2 2 304.453 3.488 20 0 DGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168447594 1087780859 /nfs/dbraw/zinc/78/08/59/1087780859.db2.gz FHIQMKQODDDEOL-LJQANCHMSA-N 2 2 304.453 3.488 20 0 DGADLP CCc1nc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC001158521871 1087890012 /nfs/dbraw/zinc/89/00/12/1087890012.db2.gz OYSQBAAWNQPIKJ-IAGOWNOFSA-N 2 2 324.472 3.447 20 0 DGADLP C[NH+](C)CCC(C)(C)Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001158760388 1088015229 /nfs/dbraw/zinc/01/52/29/1088015229.db2.gz TVQMUARIKXRRKV-UHFFFAOYSA-N 2 2 315.396 3.392 20 0 DGADLP CC(C)c1cccc(Nc2cccc(CN3CC[NH2+]CC3)c2)[nH+]1 ZINC001159201010 1088233617 /nfs/dbraw/zinc/23/36/17/1088233617.db2.gz YPOFRDPZABMIDJ-UHFFFAOYSA-N 2 2 310.445 3.354 20 0 DGADLP Cc1c(F)ccc(F)c1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159324248 1088293832 /nfs/dbraw/zinc/29/38/32/1088293832.db2.gz YMVKIZCUENGMOW-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP c1c[nH+]c(-c2ccc(Nc3ccc(N4CC[NH2+]CC4)cc3)cc2)[nH]1 ZINC001159456062 1088354975 /nfs/dbraw/zinc/35/49/75/1088354975.db2.gz MSGIHEVYCVLSMH-UHFFFAOYSA-N 2 2 319.412 3.230 20 0 DGADLP Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001159505084 1088369915 /nfs/dbraw/zinc/36/99/15/1088369915.db2.gz RPCPMZAPOWGCPG-UHFFFAOYSA-N 2 2 306.413 3.383 20 0 DGADLP CCc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc(C)[nH+]1 ZINC001159546208 1088388250 /nfs/dbraw/zinc/38/82/50/1088388250.db2.gz SPKDHMQTRSAEAH-UHFFFAOYSA-N 2 2 314.477 3.081 20 0 DGADLP Cc1cc[nH+]c(C(C)C)c1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001212993123 1088578109 /nfs/dbraw/zinc/57/81/09/1088578109.db2.gz VZRVUJXNTWHUAV-UHFFFAOYSA-N 2 2 312.417 3.489 20 0 DGADLP CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404189 1088597220 /nfs/dbraw/zinc/59/72/20/1088597220.db2.gz WIFCYUFNTXZMSK-UKRRQHHQSA-N 2 2 323.456 3.195 20 0 DGADLP CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404189 1088597235 /nfs/dbraw/zinc/59/72/35/1088597235.db2.gz WIFCYUFNTXZMSK-UKRRQHHQSA-N 2 2 323.456 3.195 20 0 DGADLP COc1cc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC001160141264 1088665215 /nfs/dbraw/zinc/66/52/15/1088665215.db2.gz FZALRVKRLCBCGS-CQSZACIVSA-N 2 2 317.364 3.022 20 0 DGADLP Cc1c[nH+]cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c1C ZINC001160164103 1088679842 /nfs/dbraw/zinc/67/98/42/1088679842.db2.gz QQZMQBCGQIPGHB-CQSZACIVSA-N 2 2 301.365 3.322 20 0 DGADLP c1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001160166757 1088681788 /nfs/dbraw/zinc/68/17/88/1088681788.db2.gz GOVHIRWEBRJGJF-MRXNPFEDSA-N 2 2 324.428 3.166 20 0 DGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC001155023883 1088900328 /nfs/dbraw/zinc/90/03/28/1088900328.db2.gz FYSFRCMFZRKSFJ-QWHCGFSZSA-N 2 2 309.417 3.159 20 0 DGADLP Cc1cccc2cc[nH+]c(N[C@@H]3CCC[C@@H]3[NH+]3CCOCC3)c12 ZINC001160730418 1088934347 /nfs/dbraw/zinc/93/43/47/1088934347.db2.gz DTMMAOVXIVLCLF-SJORKVTESA-N 2 2 311.429 3.208 20 0 DGADLP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160734917 1088937544 /nfs/dbraw/zinc/93/75/44/1088937544.db2.gz BRFGAOCRKBYLKT-OCCSQVGLSA-N 2 2 309.335 3.496 20 0 DGADLP C[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001160990089 1089059909 /nfs/dbraw/zinc/05/99/09/1089059909.db2.gz DDMDJVFZOTUAIV-CQSZACIVSA-N 2 2 322.412 3.034 20 0 DGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521114 1089144420 /nfs/dbraw/zinc/14/44/20/1089144420.db2.gz FKAUZFIENWQKSZ-UAEOLWBESA-N 2 2 320.481 3.017 20 0 DGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521114 1089144423 /nfs/dbraw/zinc/14/44/23/1089144423.db2.gz FKAUZFIENWQKSZ-UAEOLWBESA-N 2 2 320.481 3.017 20 0 DGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001155592152 1089178718 /nfs/dbraw/zinc/17/87/18/1089178718.db2.gz MLARBIMICWSPLJ-HNAYVOBHSA-N 2 2 311.429 3.114 20 0 DGADLP c1ccc(-c2cc[nH+]c(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001155620369 1089188387 /nfs/dbraw/zinc/18/83/87/1089188387.db2.gz VANMFUOYFARCQB-MJGOQNOKSA-N 2 2 309.413 3.072 20 0 DGADLP COc1cc[nH+]c(C(C)(C)CNc2[nH+]ccc3c2ccn3C)c1 ZINC001162128127 1089561754 /nfs/dbraw/zinc/56/17/54/1089561754.db2.gz HQERUARKOOJMCY-UHFFFAOYSA-N 2 2 310.401 3.367 20 0 DGADLP Cc1c[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)nc1NC(C)C ZINC001156773098 1089686894 /nfs/dbraw/zinc/68/68/94/1089686894.db2.gz WIOLAVFGFVCJMH-UHFFFAOYSA-N 2 2 305.470 3.090 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cccc2OCc2ccccc2F)C1 ZINC001162396444 1089713107 /nfs/dbraw/zinc/71/31/07/1089713107.db2.gz ZXXVHJWRMZHRPD-HUUCEWRRSA-N 2 2 315.392 3.482 20 0 DGADLP CC(=O)Nc1c(C)cc[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001156928917 1089750914 /nfs/dbraw/zinc/75/09/14/1089750914.db2.gz QXCHSTCCSVAOOJ-CQSZACIVSA-N 2 2 304.438 3.025 20 0 DGADLP CC(=O)Nc1c(C)cc[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156928917 1089750927 /nfs/dbraw/zinc/75/09/27/1089750927.db2.gz QXCHSTCCSVAOOJ-CQSZACIVSA-N 2 2 304.438 3.025 20 0 DGADLP F[C@@]1(CNc2cc(-c3ccncc3)cc[nH+]2)CCCC[NH2+]C1 ZINC001162580041 1089805477 /nfs/dbraw/zinc/80/54/77/1089805477.db2.gz QKSHEOGFHIARPE-KRWDZBQOSA-N 2 2 300.381 3.037 20 0 DGADLP FC1(F)C[NH2+]CC[C@H]1CCNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001162814502 1089970057 /nfs/dbraw/zinc/97/00/57/1089970057.db2.gz QMJCUTNLSKQDKB-NSHDSACASA-N 2 2 320.387 3.098 20 0 DGADLP CCc1cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)nc(CC)[nH+]1 ZINC001162867632 1089998665 /nfs/dbraw/zinc/99/86/65/1089998665.db2.gz LSRKUTJJHFVQNM-OAHLLOKOSA-N 2 2 304.482 3.381 20 0 DGADLP CCc1cc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)nc(CC)[nH+]1 ZINC001162867632 1089998675 /nfs/dbraw/zinc/99/86/75/1089998675.db2.gz LSRKUTJJHFVQNM-OAHLLOKOSA-N 2 2 304.482 3.381 20 0 DGADLP Cc1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)[nH+]c2ccccc12 ZINC001163131254 1090085348 /nfs/dbraw/zinc/08/53/48/1090085348.db2.gz QPJJRGLTMLRFEE-UHFFFAOYSA-N 2 2 320.440 3.089 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001163361065 1090162351 /nfs/dbraw/zinc/16/23/51/1090162351.db2.gz GPTVCSIVHAYLBF-ZFWWWQNUSA-N 2 2 319.449 3.016 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163361065 1090162356 /nfs/dbraw/zinc/16/23/56/1090162356.db2.gz GPTVCSIVHAYLBF-ZFWWWQNUSA-N 2 2 319.449 3.016 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CC[C@H](C)F)c(C)[nH+]1 ZINC001485731320 1090258833 /nfs/dbraw/zinc/25/88/33/1090258833.db2.gz TZANWAWPKHFQEZ-KBPBESRZSA-N 2 2 323.456 3.243 20 0 DGADLP C[NH+](C)Cc1cccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC001163993313 1090311134 /nfs/dbraw/zinc/31/11/34/1090311134.db2.gz JKCIICIITCVJIQ-UHFFFAOYSA-N 2 2 321.428 3.000 20 0 DGADLP CCc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)o1 ZINC001204390575 1090453061 /nfs/dbraw/zinc/45/30/61/1090453061.db2.gz HPFWHBMUMREJQT-LJQANCHMSA-N 2 2 320.477 3.165 20 0 DGADLP CCc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)o1 ZINC001204390575 1090453062 /nfs/dbraw/zinc/45/30/62/1090453062.db2.gz HPFWHBMUMREJQT-LJQANCHMSA-N 2 2 320.477 3.165 20 0 DGADLP CCc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)o1 ZINC001204390575 1090453066 /nfs/dbraw/zinc/45/30/66/1090453066.db2.gz HPFWHBMUMREJQT-LJQANCHMSA-N 2 2 320.477 3.165 20 0 DGADLP CCc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)o1 ZINC001204390575 1090453068 /nfs/dbraw/zinc/45/30/68/1090453068.db2.gz HPFWHBMUMREJQT-LJQANCHMSA-N 2 2 320.477 3.165 20 0 DGADLP Cc1nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001165184790 1090476353 /nfs/dbraw/zinc/47/63/53/1090476353.db2.gz LJZWWKKKYXJHLH-LPHOPBHVSA-N 2 2 314.477 3.221 20 0 DGADLP Clc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001165236538 1090485152 /nfs/dbraw/zinc/48/51/52/1090485152.db2.gz JXNNTGQZNMEQRE-KRWDZBQOSA-N 2 2 301.821 3.468 20 0 DGADLP Cc1nc(N2CCC(F)(C[NH3+])CC2)cc(C2CCCCC2)[nH+]1 ZINC001165263772 1090492682 /nfs/dbraw/zinc/49/26/82/1090492682.db2.gz VOIIIHVUOYDQEL-UHFFFAOYSA-N 2 2 306.429 3.100 20 0 DGADLP Cc1nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC001165319853 1090501858 /nfs/dbraw/zinc/50/18/58/1090501858.db2.gz MMOQVCAANXQWTM-QGZVFWFLSA-N 2 2 302.466 3.267 20 0 DGADLP CSCc1cc[nH+]c(N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001165322379 1090503098 /nfs/dbraw/zinc/50/30/98/1090503098.db2.gz HZXCNUCYOLILIX-INIZCTEOSA-N 2 2 305.491 3.303 20 0 DGADLP Cc1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc(C(C)(C)C)[nH+]1 ZINC001165323328 1090503745 /nfs/dbraw/zinc/50/37/45/1090503745.db2.gz OSYOIZFPTNEMHC-MRXNPFEDSA-N 2 2 316.493 3.441 20 0 DGADLP CCc1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001165398749 1090515600 /nfs/dbraw/zinc/51/56/00/1090515600.db2.gz QQQADKTUNYUHDZ-UHFFFAOYSA-N 2 2 311.429 3.088 20 0 DGADLP [NH3+]CC[C@@H]1CN(c2cc(OCC3CC3)cc[nH+]2)c2ccccc21 ZINC001168544764 1090526031 /nfs/dbraw/zinc/52/60/31/1090526031.db2.gz RTAYSNVQQWJZFS-OAHLLOKOSA-N 2 2 309.413 3.455 20 0 DGADLP Nc1cn2ccc(NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2[nH+]1 ZINC001166900248 1090673449 /nfs/dbraw/zinc/67/34/49/1090673449.db2.gz ITCAHSXPCGLAKA-QGZVFWFLSA-N 2 2 321.428 3.166 20 0 DGADLP Cc1nc(N2CC[C@@H]([NH3+])C(F)(F)C2)cc(C2CCCCC2)[nH+]1 ZINC001166959340 1090682997 /nfs/dbraw/zinc/68/29/97/1090682997.db2.gz WVBKZKWOYPZLHM-CQSZACIVSA-N 2 2 310.392 3.005 20 0 DGADLP Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c(C)[nH+]1 ZINC001203373688 1090727442 /nfs/dbraw/zinc/72/74/42/1090727442.db2.gz BGAJPAOZAFSXKF-UHFFFAOYSA-N 2 2 314.408 3.333 20 0 DGADLP Cc1ccc(C)c(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001203747495 1090795270 /nfs/dbraw/zinc/79/52/70/1090795270.db2.gz HABGONDKHJSXKV-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP Cc1ccc(C)c(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001203747495 1090795273 /nfs/dbraw/zinc/79/52/73/1090795273.db2.gz HABGONDKHJSXKV-UHFFFAOYSA-N 2 2 322.412 3.095 20 0 DGADLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001203916713 1090838767 /nfs/dbraw/zinc/83/87/67/1090838767.db2.gz QODDCTHTSUGTBC-RTBURBONSA-N 2 2 310.416 3.390 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c2ccccc12 ZINC001203996900 1090862742 /nfs/dbraw/zinc/86/27/42/1090862742.db2.gz JVMVLJINGFLJDQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c2ccccc12 ZINC001203996900 1090862755 /nfs/dbraw/zinc/86/27/55/1090862755.db2.gz JVMVLJINGFLJDQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c2ccccc12 ZINC001203996900 1090862762 /nfs/dbraw/zinc/86/27/62/1090862762.db2.gz JVMVLJINGFLJDQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c2ccccc12 ZINC001203996900 1090862772 /nfs/dbraw/zinc/86/27/72/1090862772.db2.gz JVMVLJINGFLJDQ-LPHOPBHVSA-N 2 2 310.441 3.374 20 0 DGADLP COCC[N@H+](Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC001204000612 1090864205 /nfs/dbraw/zinc/86/42/05/1090864205.db2.gz INHLMPFACUQFSB-UHFFFAOYSA-N 2 2 312.457 3.382 20 0 DGADLP COCC[N@@H+](Cc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC001204000612 1090864208 /nfs/dbraw/zinc/86/42/08/1090864208.db2.gz INHLMPFACUQFSB-UHFFFAOYSA-N 2 2 312.457 3.382 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3cc(Br)cs3)C2)CC1 ZINC001204026985 1090873150 /nfs/dbraw/zinc/87/31/50/1090873150.db2.gz CTXNIFGVOVGCMN-UHFFFAOYSA-N 2 2 315.280 3.038 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069706 1090889699 /nfs/dbraw/zinc/88/96/99/1090889699.db2.gz BKLLEFLLUODBCF-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069706 1090889706 /nfs/dbraw/zinc/88/97/06/1090889706.db2.gz BKLLEFLLUODBCF-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069706 1090889716 /nfs/dbraw/zinc/88/97/16/1090889716.db2.gz BKLLEFLLUODBCF-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001204069706 1090889721 /nfs/dbraw/zinc/88/97/21/1090889721.db2.gz BKLLEFLLUODBCF-PMACEKPBSA-N 2 2 321.468 3.344 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204171561 1090912346 /nfs/dbraw/zinc/91/23/46/1090912346.db2.gz KZTPJLMPKPKREJ-LJQANCHMSA-N 2 2 302.462 3.070 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204171561 1090912348 /nfs/dbraw/zinc/91/23/48/1090912348.db2.gz KZTPJLMPKPKREJ-LJQANCHMSA-N 2 2 302.462 3.070 20 0 DGADLP Cc1cc(C)[nH+]c(Nc2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001204336499 1090952239 /nfs/dbraw/zinc/95/22/39/1090952239.db2.gz LZTOJKPVFMYLNH-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(C)c(C)c3)CC2)nc(C)[nH+]1 ZINC001204355232 1090954652 /nfs/dbraw/zinc/95/46/52/1090954652.db2.gz ZULQOHPAMXWLFD-UHFFFAOYSA-N 2 2 310.445 3.032 20 0 DGADLP Clc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001168719379 1090988406 /nfs/dbraw/zinc/98/84/06/1090988406.db2.gz WWQOZMVDYMZPNP-MRXNPFEDSA-N 2 2 304.865 3.367 20 0 DGADLP CS[C@H](C)CC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001276470419 1090989173 /nfs/dbraw/zinc/98/91/73/1090989173.db2.gz LHRVPDRLUYQRBA-CYBMUJFWSA-N 2 2 324.456 3.478 20 0 DGADLP CS[C@H](C)CC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001276470419 1090989170 /nfs/dbraw/zinc/98/91/70/1090989170.db2.gz LHRVPDRLUYQRBA-CYBMUJFWSA-N 2 2 324.456 3.478 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001204940203 1091068102 /nfs/dbraw/zinc/06/81/02/1091068102.db2.gz WHDNSQJAZNYVMH-HXUWFJFHSA-N 2 2 320.440 3.339 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001204940203 1091068109 /nfs/dbraw/zinc/06/81/09/1091068109.db2.gz WHDNSQJAZNYVMH-HXUWFJFHSA-N 2 2 320.440 3.339 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001204940201 1091068248 /nfs/dbraw/zinc/06/82/48/1091068248.db2.gz WHDNSQJAZNYVMH-FQEVSTJZSA-N 2 2 320.440 3.339 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001204940201 1091068255 /nfs/dbraw/zinc/06/82/55/1091068255.db2.gz WHDNSQJAZNYVMH-FQEVSTJZSA-N 2 2 320.440 3.339 20 0 DGADLP C[NH+](C)[C@H]1CCOc2c(Nc3ccn4cc[nH+]c4c3)cccc21 ZINC001204997704 1091079172 /nfs/dbraw/zinc/07/91/72/1091079172.db2.gz PCDCHICKTFGJLD-INIZCTEOSA-N 2 2 308.385 3.463 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH3+] ZINC001205135931 1091109801 /nfs/dbraw/zinc/10/98/01/1091109801.db2.gz HXHADXXWXXMDAX-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C[NH3+] ZINC001205135931 1091109804 /nfs/dbraw/zinc/10/98/04/1091109804.db2.gz HXHADXXWXXMDAX-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP Fc1cc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)c1F ZINC001205173930 1091119843 /nfs/dbraw/zinc/11/98/43/1091119843.db2.gz NJEZWTBKEGQKLS-UHFFFAOYSA-N 2 2 321.277 3.245 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001205296418 1091169160 /nfs/dbraw/zinc/16/91/60/1091169160.db2.gz OXTPCQDRKOKZIT-KRWDZBQOSA-N 2 2 303.381 3.184 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001205296418 1091169167 /nfs/dbraw/zinc/16/91/67/1091169167.db2.gz OXTPCQDRKOKZIT-KRWDZBQOSA-N 2 2 303.381 3.184 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC001138431409 1091182668 /nfs/dbraw/zinc/18/26/68/1091182668.db2.gz ZVILCGYQXIBMPN-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP COc1cc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205339038 1091191626 /nfs/dbraw/zinc/19/16/26/1091191626.db2.gz DJTQMWSLRUPECN-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP COc1cc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc2c1NC(C)(C)C=C2 ZINC001205339038 1091191629 /nfs/dbraw/zinc/19/16/29/1091191629.db2.gz DJTQMWSLRUPECN-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP COc1ccc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC001138509361 1091209703 /nfs/dbraw/zinc/20/97/03/1091209703.db2.gz BPLWXAOHMPCBDH-UHFFFAOYSA-N 2 2 310.401 3.210 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001138544696 1091222661 /nfs/dbraw/zinc/22/26/61/1091222661.db2.gz MXXYRYHPQYKUKO-SJORKVTESA-N 2 2 305.372 3.453 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cc1 ZINC001138544696 1091222673 /nfs/dbraw/zinc/22/26/73/1091222673.db2.gz MXXYRYHPQYKUKO-SJORKVTESA-N 2 2 305.372 3.453 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)s1 ZINC001138570725 1091235928 /nfs/dbraw/zinc/23/59/28/1091235928.db2.gz IALOIUHJWARHRZ-UHFFFAOYSA-N 2 2 322.518 3.440 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)s1 ZINC001138570725 1091235938 /nfs/dbraw/zinc/23/59/38/1091235938.db2.gz IALOIUHJWARHRZ-UHFFFAOYSA-N 2 2 322.518 3.440 20 0 DGADLP Cc1c(-c2ccc(CC[NH+]3CCOCC3)cc2)ccc2[nH+]ccn21 ZINC001205679131 1091310646 /nfs/dbraw/zinc/31/06/46/1091310646.db2.gz FCKGRKSFLBDICA-UHFFFAOYSA-N 2 2 321.424 3.184 20 0 DGADLP c1cc(-c2ccc3c(C4C[NH+](Cc5cnoc5)C4)[nH+]cn3c2)co1 ZINC001205696794 1091316165 /nfs/dbraw/zinc/31/61/65/1091316165.db2.gz IAKBMZHWTSAURR-UHFFFAOYSA-N 2 2 320.352 3.182 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1N(C)C ZINC001205696702 1091317393 /nfs/dbraw/zinc/31/73/93/1091317393.db2.gz NJMIQQVTQCOHNP-UHFFFAOYSA-N 2 2 313.436 3.195 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1N(C)C ZINC001205696702 1091317410 /nfs/dbraw/zinc/31/74/10/1091317410.db2.gz NJMIQQVTQCOHNP-UHFFFAOYSA-N 2 2 313.436 3.195 20 0 DGADLP COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1C(C)C ZINC001205767827 1091339410 /nfs/dbraw/zinc/33/94/10/1091339410.db2.gz BBQLUFVXQQKOOI-AWEZNQCLSA-N 2 2 312.404 3.235 20 0 DGADLP COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1C(C)C ZINC001205767827 1091339419 /nfs/dbraw/zinc/33/94/19/1091339419.db2.gz BBQLUFVXQQKOOI-AWEZNQCLSA-N 2 2 312.404 3.235 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccn3)s2)CCC1(F)F ZINC001205779419 1091344606 /nfs/dbraw/zinc/34/46/06/1091344606.db2.gz KUIBOHFPEJYZCD-LBPRGKRZSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccn3)s2)CCC1(F)F ZINC001205779419 1091344615 /nfs/dbraw/zinc/34/46/15/1091344615.db2.gz KUIBOHFPEJYZCD-LBPRGKRZSA-N 2 2 323.412 3.226 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830023 1091370155 /nfs/dbraw/zinc/37/01/55/1091370155.db2.gz QSBIJCXGRDEXBH-KGLIPLIRSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001205830023 1091370169 /nfs/dbraw/zinc/37/01/69/1091370169.db2.gz QSBIJCXGRDEXBH-KGLIPLIRSA-N 2 2 301.459 3.369 20 0 DGADLP Cc1cnccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868104 1091386697 /nfs/dbraw/zinc/38/66/97/1091386697.db2.gz UXLJOBGQGHDWOB-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868104 1091386706 /nfs/dbraw/zinc/38/67/06/1091386706.db2.gz UXLJOBGQGHDWOB-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868104 1091386716 /nfs/dbraw/zinc/38/67/16/1091386716.db2.gz UXLJOBGQGHDWOB-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cnccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001205868104 1091386722 /nfs/dbraw/zinc/38/67/22/1091386722.db2.gz UXLJOBGQGHDWOB-SFTDATJTSA-N 2 2 321.468 3.344 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Br ZINC001205903519 1091402421 /nfs/dbraw/zinc/40/24/21/1091402421.db2.gz PVHHGXGGRDWHRX-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Br ZINC001205903519 1091402423 /nfs/dbraw/zinc/40/24/23/1091402423.db2.gz PVHHGXGGRDWHRX-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901160 1091400555 /nfs/dbraw/zinc/40/05/55/1091400555.db2.gz BKGQOADRJLWGOO-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001205901160 1091400559 /nfs/dbraw/zinc/40/05/59/1091400559.db2.gz BKGQOADRJLWGOO-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904667 1091401711 /nfs/dbraw/zinc/40/17/11/1091401711.db2.gz WGNFKHXJTXJSLK-RYUDHWBXSA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1OC(F)(F)F ZINC001205904667 1091401715 /nfs/dbraw/zinc/40/17/15/1091401715.db2.gz WGNFKHXJTXJSLK-RYUDHWBXSA-N 2 2 302.340 3.144 20 0 DGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)c(OCC)c1 ZINC001138978026 1091406070 /nfs/dbraw/zinc/40/60/70/1091406070.db2.gz LTUGZQDECBXHEA-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c(OCC)c1 ZINC001138978026 1091406076 /nfs/dbraw/zinc/40/60/76/1091406076.db2.gz LTUGZQDECBXHEA-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1C(F)(F)F ZINC001205913489 1091407765 /nfs/dbraw/zinc/40/77/65/1091407765.db2.gz IOLMYQDHYUFXOK-WCQYABFASA-N 2 2 316.367 3.273 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1C(F)(F)F ZINC001205913489 1091407773 /nfs/dbraw/zinc/40/77/73/1091407773.db2.gz IOLMYQDHYUFXOK-WCQYABFASA-N 2 2 316.367 3.273 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC001139013670 1091419690 /nfs/dbraw/zinc/41/96/90/1091419690.db2.gz KAZWVISRJRKOCL-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CC[NH+](C)CC1 ZINC001139013670 1091419695 /nfs/dbraw/zinc/41/96/95/1091419695.db2.gz KAZWVISRJRKOCL-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCCCC23CC3)c1 ZINC001139058923 1091432150 /nfs/dbraw/zinc/43/21/50/1091432150.db2.gz GEZBBGINRPXFIF-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCCCC23CC3)c1 ZINC001139058923 1091432155 /nfs/dbraw/zinc/43/21/55/1091432155.db2.gz GEZBBGINRPXFIF-UHFFFAOYSA-N 2 2 300.446 3.037 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CC3CCC(CC3)C2)c1 ZINC001139059862 1091432444 /nfs/dbraw/zinc/43/24/44/1091432444.db2.gz JWYJAMFCYZWSSJ-UHFFFAOYSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[N@@H+]2CCC23CCCCC3)cc(C[NH+]2CCOCC2)c1 ZINC001139056246 1091432481 /nfs/dbraw/zinc/43/24/81/1091432481.db2.gz ZNSZXKCNLJEVLW-UHFFFAOYSA-N 2 2 314.473 3.427 20 0 DGADLP c1cc(C[N@H+]2CCC23CCCCC3)cc(C[NH+]2CCOCC2)c1 ZINC001139056246 1091432488 /nfs/dbraw/zinc/43/24/88/1091432488.db2.gz ZNSZXKCNLJEVLW-UHFFFAOYSA-N 2 2 314.473 3.427 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1F ZINC001206167527 1091518636 /nfs/dbraw/zinc/51/86/36/1091518636.db2.gz ZSBSPYXHIIXTQR-KBPBESRZSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1F ZINC001206167527 1091518647 /nfs/dbraw/zinc/51/86/47/1091518647.db2.gz ZSBSPYXHIIXTQR-KBPBESRZSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@@H]1F ZINC001206172503 1091520287 /nfs/dbraw/zinc/52/02/87/1091520287.db2.gz ABUBEPHETZBGBD-DLBZAZTESA-N 2 2 315.392 3.135 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@@H]1F ZINC001206172503 1091520292 /nfs/dbraw/zinc/52/02/92/1091520292.db2.gz ABUBEPHETZBGBD-DLBZAZTESA-N 2 2 315.392 3.135 20 0 DGADLP O=C1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCCC[C@@H]12 ZINC001139358373 1091534934 /nfs/dbraw/zinc/53/49/34/1091534934.db2.gz QHYZJQWVXWYXNG-MSOLQXFVSA-N 2 2 309.413 3.206 20 0 DGADLP O=C1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]2CCCC[C@@H]12 ZINC001139358373 1091534942 /nfs/dbraw/zinc/53/49/42/1091534942.db2.gz QHYZJQWVXWYXNG-MSOLQXFVSA-N 2 2 309.413 3.206 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC001206215043 1091538576 /nfs/dbraw/zinc/53/85/76/1091538576.db2.gz JWNPTQATXLHDRA-YSHGAJCASA-N 2 2 302.462 3.054 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC001206215043 1091538581 /nfs/dbraw/zinc/53/85/81/1091538581.db2.gz JWNPTQATXLHDRA-YSHGAJCASA-N 2 2 302.462 3.054 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644608 1091632156 /nfs/dbraw/zinc/63/21/56/1091632156.db2.gz LHBSMFDQYQFMPG-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644608 1091632161 /nfs/dbraw/zinc/63/21/61/1091632161.db2.gz LHBSMFDQYQFMPG-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644608 1091632165 /nfs/dbraw/zinc/63/21/65/1091632165.db2.gz LHBSMFDQYQFMPG-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4cccnc4)cc3)C[C@H]21 ZINC001139644608 1091632171 /nfs/dbraw/zinc/63/21/71/1091632171.db2.gz LHBSMFDQYQFMPG-WOJBJXKFSA-N 2 2 307.441 3.275 20 0 DGADLP CCCC[N@H+](CC)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759904 1091666120 /nfs/dbraw/zinc/66/61/20/1091666120.db2.gz HHXQOOXKGGONJY-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP CCCC[N@@H+](CC)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759904 1091666121 /nfs/dbraw/zinc/66/61/21/1091666121.db2.gz HHXQOOXKGGONJY-UHFFFAOYSA-N 2 2 320.477 3.020 20 0 DGADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206573494 1091673400 /nfs/dbraw/zinc/67/34/00/1091673400.db2.gz LWXWRJHQOGTMNF-KRWDZBQOSA-N 2 2 324.852 3.078 20 0 DGADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206573494 1091673405 /nfs/dbraw/zinc/67/34/05/1091673405.db2.gz LWXWRJHQOGTMNF-KRWDZBQOSA-N 2 2 324.852 3.078 20 0 DGADLP COc1ccc(F)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1F ZINC001206590460 1091680758 /nfs/dbraw/zinc/68/07/58/1091680758.db2.gz MKXWAKAVOBENAU-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP COc1ccc(F)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1F ZINC001206590460 1091680764 /nfs/dbraw/zinc/68/07/64/1091680764.db2.gz MKXWAKAVOBENAU-CYBMUJFWSA-N 2 2 312.404 3.326 20 0 DGADLP COc1ccc(F)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1F ZINC001206590461 1091681845 /nfs/dbraw/zinc/68/18/45/1091681845.db2.gz MKXWAKAVOBENAU-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP COc1ccc(F)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1F ZINC001206590461 1091681846 /nfs/dbraw/zinc/68/18/46/1091681846.db2.gz MKXWAKAVOBENAU-ZDUSSCGKSA-N 2 2 312.404 3.326 20 0 DGADLP COCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001139829459 1091683378 /nfs/dbraw/zinc/68/33/78/1091683378.db2.gz MXTKKTCDGMQSCH-CQSZACIVSA-N 2 2 318.442 3.251 20 0 DGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2csc(Cl)n2)CC1 ZINC001139977305 1091729138 /nfs/dbraw/zinc/72/91/38/1091729138.db2.gz VUMVCQIPZBXAGY-UHFFFAOYSA-N 2 2 301.887 3.349 20 0 DGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2csc(Cl)n2)CC1 ZINC001139977305 1091729141 /nfs/dbraw/zinc/72/91/41/1091729141.db2.gz VUMVCQIPZBXAGY-UHFFFAOYSA-N 2 2 301.887 3.349 20 0 DGADLP c1ccc2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ncc2c1 ZINC001140001729 1091736262 /nfs/dbraw/zinc/73/62/62/1091736262.db2.gz YTRUMISLXBPQJK-IBGZPJMESA-N 2 2 305.381 3.283 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2cnccc2C1 ZINC001140023037 1091741462 /nfs/dbraw/zinc/74/14/62/1091741462.db2.gz IPRIYUYYZATWCY-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2cnccc2C1 ZINC001140023037 1091741467 /nfs/dbraw/zinc/74/14/67/1091741467.db2.gz IPRIYUYYZATWCY-UHFFFAOYSA-N 2 2 304.397 3.134 20 0 DGADLP CSc1nccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001140037367 1091745665 /nfs/dbraw/zinc/74/56/65/1091745665.db2.gz SUYMJFXODCFDAY-JKSUJKDBSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1nccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001140037367 1091745678 /nfs/dbraw/zinc/74/56/78/1091745678.db2.gz SUYMJFXODCFDAY-JKSUJKDBSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1nccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001140037367 1091745687 /nfs/dbraw/zinc/74/56/87/1091745687.db2.gz SUYMJFXODCFDAY-JKSUJKDBSA-N 2 2 320.506 3.037 20 0 DGADLP CSc1nccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001140037367 1091745692 /nfs/dbraw/zinc/74/56/92/1091745692.db2.gz SUYMJFXODCFDAY-JKSUJKDBSA-N 2 2 320.506 3.037 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(O)ccc1F ZINC001140051475 1091749463 /nfs/dbraw/zinc/74/94/63/1091749463.db2.gz JTKOWYYCTHDEKO-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(O)ccc1F ZINC001140051475 1091749469 /nfs/dbraw/zinc/74/94/69/1091749469.db2.gz JTKOWYYCTHDEKO-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1F ZINC001140051475 1091749476 /nfs/dbraw/zinc/74/94/76/1091749476.db2.gz JTKOWYYCTHDEKO-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1F ZINC001140051475 1091749481 /nfs/dbraw/zinc/74/94/81/1091749481.db2.gz JTKOWYYCTHDEKO-JKSUJKDBSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(O)ccc1F ZINC001140051474 1091749948 /nfs/dbraw/zinc/74/99/48/1091749948.db2.gz JTKOWYYCTHDEKO-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(O)ccc1F ZINC001140051474 1091749952 /nfs/dbraw/zinc/74/99/52/1091749952.db2.gz JTKOWYYCTHDEKO-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1F ZINC001140051474 1091749960 /nfs/dbraw/zinc/74/99/60/1091749960.db2.gz JTKOWYYCTHDEKO-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1F ZINC001140051474 1091749968 /nfs/dbraw/zinc/74/99/68/1091749968.db2.gz JTKOWYYCTHDEKO-HOTGVXAUSA-N 2 2 306.425 3.370 20 0 DGADLP Cc1ccnc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854418 1091771052 /nfs/dbraw/zinc/77/10/52/1091771052.db2.gz YZVVTXIRLAEJAA-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854418 1091771057 /nfs/dbraw/zinc/77/10/57/1091771057.db2.gz YZVVTXIRLAEJAA-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854418 1091771064 /nfs/dbraw/zinc/77/10/64/1091771064.db2.gz YZVVTXIRLAEJAA-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001206854418 1091771072 /nfs/dbraw/zinc/77/10/72/1091771072.db2.gz YZVVTXIRLAEJAA-UXHICEINSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)cc1O ZINC001140204363 1091800933 /nfs/dbraw/zinc/80/09/33/1091800933.db2.gz RLLXBJDWBQPJBM-QGZVFWFLSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)cc1O ZINC001140204363 1091800941 /nfs/dbraw/zinc/80/09/41/1091800941.db2.gz RLLXBJDWBQPJBM-QGZVFWFLSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1ncccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207153452 1091865262 /nfs/dbraw/zinc/86/52/62/1091865262.db2.gz AZLROAKHTKPLKQ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207153452 1091865268 /nfs/dbraw/zinc/86/52/68/1091865268.db2.gz AZLROAKHTKPLKQ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207153452 1091865272 /nfs/dbraw/zinc/86/52/72/1091865272.db2.gz AZLROAKHTKPLKQ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207153452 1091865277 /nfs/dbraw/zinc/86/52/77/1091865277.db2.gz AZLROAKHTKPLKQ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@@H+](CCC4CC4)C3)C2)c1 ZINC001276513069 1091873483 /nfs/dbraw/zinc/87/34/83/1091873483.db2.gz GVCRIGVONATKQR-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@H+](CCC4CC4)C3)C2)c1 ZINC001276513069 1091873491 /nfs/dbraw/zinc/87/34/91/1091873491.db2.gz GVCRIGVONATKQR-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@H+]2CCC[C@@]3(CCC[NH+](CCC4CC4)C3)C2)c1 ZINC001276513069 1091873499 /nfs/dbraw/zinc/87/34/99/1091873499.db2.gz GVCRIGVONATKQR-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC[NH+](CCC4CC4)C3)C2)c1 ZINC001276513069 1091873504 /nfs/dbraw/zinc/87/35/04/1091873504.db2.gz GVCRIGVONATKQR-LJQANCHMSA-N 2 2 301.478 3.493 20 0 DGADLP c1ccc(COCC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001207228041 1091892297 /nfs/dbraw/zinc/89/22/97/1091892297.db2.gz IXPXYGWAFQIGLM-UHFFFAOYSA-N 2 2 312.413 3.142 20 0 DGADLP COCC[N@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140538714 1091900687 /nfs/dbraw/zinc/90/06/87/1091900687.db2.gz UJVMVIOWINXSNR-UHFFFAOYSA-N 2 2 314.832 3.022 20 0 DGADLP COCC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140538714 1091900691 /nfs/dbraw/zinc/90/06/91/1091900691.db2.gz UJVMVIOWINXSNR-UHFFFAOYSA-N 2 2 314.832 3.022 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001140680856 1091956042 /nfs/dbraw/zinc/95/60/42/1091956042.db2.gz ZNWDOZDMFYUQCL-SFHVURJKSA-N 2 2 312.413 3.360 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001140680856 1091956051 /nfs/dbraw/zinc/95/60/51/1091956051.db2.gz ZNWDOZDMFYUQCL-SFHVURJKSA-N 2 2 312.413 3.360 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140720678 1091973424 /nfs/dbraw/zinc/97/34/24/1091973424.db2.gz XMKPNCQDTTUQDI-HNNXBMFYSA-N 2 2 317.820 3.279 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140720678 1091973433 /nfs/dbraw/zinc/97/34/33/1091973433.db2.gz XMKPNCQDTTUQDI-HNNXBMFYSA-N 2 2 317.820 3.279 20 0 DGADLP Cn1cnc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc21 ZINC001140734610 1091979624 /nfs/dbraw/zinc/97/96/24/1091979624.db2.gz LFJZSBCIQVBHKB-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP C[NH+]1CCC(CC[N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207487618 1091984200 /nfs/dbraw/zinc/98/42/00/1091984200.db2.gz ODDVUXLISQCICO-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(CC[N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207487618 1091984206 /nfs/dbraw/zinc/98/42/06/1091984206.db2.gz ODDVUXLISQCICO-GOSISDBHSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1)c1ccccc1 ZINC001207904221 1092134918 /nfs/dbraw/zinc/13/49/18/1092134918.db2.gz WCSBKFVZXWHRMQ-QMMLZNLJSA-N 2 2 321.468 3.249 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141188608 1092166815 /nfs/dbraw/zinc/16/68/15/1092166815.db2.gz KOVJCENDOLDCNA-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141188608 1092166820 /nfs/dbraw/zinc/16/68/20/1092166820.db2.gz KOVJCENDOLDCNA-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CCc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001141226985 1092185023 /nfs/dbraw/zinc/18/50/23/1092185023.db2.gz LHDOZTAHINMDOU-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001141226985 1092185027 /nfs/dbraw/zinc/18/50/27/1092185027.db2.gz LHDOZTAHINMDOU-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001141226985 1092185033 /nfs/dbraw/zinc/18/50/33/1092185033.db2.gz LHDOZTAHINMDOU-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001141226985 1092185039 /nfs/dbraw/zinc/18/50/39/1092185039.db2.gz LHDOZTAHINMDOU-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP c1cn(-c2cccc(CN3CC[NH+](C4CCCCC4)CC3)c2)c[nH+]1 ZINC001141238714 1092189844 /nfs/dbraw/zinc/18/98/44/1092189844.db2.gz RIGLPBOJGXBBSB-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP COc1ccsc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001141332331 1092209895 /nfs/dbraw/zinc/20/98/95/1092209895.db2.gz TVMSARWQEWDXGC-ZDUSSCGKSA-N 2 2 304.415 3.113 20 0 DGADLP COc1ccsc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001141332331 1092209911 /nfs/dbraw/zinc/20/99/11/1092209911.db2.gz TVMSARWQEWDXGC-ZDUSSCGKSA-N 2 2 304.415 3.113 20 0 DGADLP COc1ccsc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001141332330 1092209987 /nfs/dbraw/zinc/20/99/87/1092209987.db2.gz TVMSARWQEWDXGC-CYBMUJFWSA-N 2 2 304.415 3.113 20 0 DGADLP COc1ccsc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001141332330 1092210000 /nfs/dbraw/zinc/21/00/00/1092210000.db2.gz TVMSARWQEWDXGC-CYBMUJFWSA-N 2 2 304.415 3.113 20 0 DGADLP CC1=C[C@@H](C)[C@H](C[NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001208182683 1092247190 /nfs/dbraw/zinc/24/71/90/1092247190.db2.gz VCXVSBDMBIZGSJ-MOPGFXCFSA-N 3 2 309.542 3.184 20 0 DGADLP C[NH+](C)CC1(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CCCC1 ZINC001208189612 1092251959 /nfs/dbraw/zinc/25/19/59/1092251959.db2.gz WBAHRWRKSGBOLV-UHFFFAOYSA-N 3 2 321.553 3.447 20 0 DGADLP C[NH+](C)CC1(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CCCC1 ZINC001208189612 1092251968 /nfs/dbraw/zinc/25/19/68/1092251968.db2.gz WBAHRWRKSGBOLV-UHFFFAOYSA-N 3 2 321.553 3.447 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2C1 ZINC001141652333 1092310720 /nfs/dbraw/zinc/31/07/20/1092310720.db2.gz JWLMLOVDZCRVAK-IYBDPMFKSA-N 2 2 313.420 3.148 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2C1 ZINC001141652333 1092310732 /nfs/dbraw/zinc/31/07/32/1092310732.db2.gz JWLMLOVDZCRVAK-IYBDPMFKSA-N 2 2 313.420 3.148 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2C1 ZINC001141652333 1092310745 /nfs/dbraw/zinc/31/07/45/1092310745.db2.gz JWLMLOVDZCRVAK-IYBDPMFKSA-N 2 2 313.420 3.148 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2C1 ZINC001141652333 1092310759 /nfs/dbraw/zinc/31/07/59/1092310759.db2.gz JWLMLOVDZCRVAK-IYBDPMFKSA-N 2 2 313.420 3.148 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613168 1092428164 /nfs/dbraw/zinc/42/81/64/1092428164.db2.gz QRBFWNFMEXQZGJ-PBHICJAKSA-N 2 2 308.466 3.257 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613168 1092428179 /nfs/dbraw/zinc/42/81/79/1092428179.db2.gz QRBFWNFMEXQZGJ-PBHICJAKSA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613168 1092428184 /nfs/dbraw/zinc/42/81/84/1092428184.db2.gz QRBFWNFMEXQZGJ-PBHICJAKSA-N 2 2 308.466 3.257 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)C1 ZINC001208613168 1092428193 /nfs/dbraw/zinc/42/81/93/1092428193.db2.gz QRBFWNFMEXQZGJ-PBHICJAKSA-N 2 2 308.466 3.257 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208643722 1092440432 /nfs/dbraw/zinc/44/04/32/1092440432.db2.gz KXLIYZGTZAWGOC-KRWDZBQOSA-N 2 2 322.493 3.013 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4CCCC4)C[C@@H]3C2)ccn1 ZINC001208692868 1092460615 /nfs/dbraw/zinc/46/06/15/1092460615.db2.gz DRGVQAFLCOSVTN-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](CCC4CCCC4)C[C@@H]3C2)ccn1 ZINC001208692868 1092460616 /nfs/dbraw/zinc/46/06/16/1092460616.db2.gz DRGVQAFLCOSVTN-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CCCC4)C[C@@H]3C2)ccn1 ZINC001208692868 1092460618 /nfs/dbraw/zinc/46/06/18/1092460618.db2.gz DRGVQAFLCOSVTN-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CCCC4)C[C@@H]3C2)ccn1 ZINC001208692868 1092460619 /nfs/dbraw/zinc/46/06/19/1092460619.db2.gz DRGVQAFLCOSVTN-UXHICEINSA-N 2 2 313.489 3.416 20 0 DGADLP CC/C=C\CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727832 1092475818 /nfs/dbraw/zinc/47/58/18/1092475818.db2.gz JCDXZXWUIQBUQP-JNXQLMTMSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208727832 1092475825 /nfs/dbraw/zinc/47/58/25/1092475825.db2.gz JCDXZXWUIQBUQP-JNXQLMTMSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208727832 1092475834 /nfs/dbraw/zinc/47/58/34/1092475834.db2.gz JCDXZXWUIQBUQP-JNXQLMTMSA-N 2 2 305.491 3.396 20 0 DGADLP CC/C=C\CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208727832 1092475838 /nfs/dbraw/zinc/47/58/38/1092475838.db2.gz JCDXZXWUIQBUQP-JNXQLMTMSA-N 2 2 305.491 3.396 20 0 DGADLP CC(C)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736413 1092484011 /nfs/dbraw/zinc/48/40/11/1092484011.db2.gz ZHHIMYBYWVMNOA-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208736413 1092484017 /nfs/dbraw/zinc/48/40/17/1092484017.db2.gz ZHHIMYBYWVMNOA-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208736413 1092484027 /nfs/dbraw/zinc/48/40/27/1092484027.db2.gz ZHHIMYBYWVMNOA-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208736413 1092484031 /nfs/dbraw/zinc/48/40/31/1092484031.db2.gz ZHHIMYBYWVMNOA-CVEARBPZSA-N 2 2 307.507 3.476 20 0 DGADLP CC[C@@H](CCC(=O)OC)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208787229 1092507416 /nfs/dbraw/zinc/50/74/16/1092507416.db2.gz BCQJGUOLWZEVJM-INIZCTEOSA-N 2 2 324.509 3.305 20 0 DGADLP CC[C@@H](CCC(=O)OC)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208787229 1092507431 /nfs/dbraw/zinc/50/74/31/1092507431.db2.gz BCQJGUOLWZEVJM-INIZCTEOSA-N 2 2 324.509 3.305 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)C2 ZINC001169094954 1092523572 /nfs/dbraw/zinc/52/35/72/1092523572.db2.gz NZHJCNIEOOONFY-IYWMVGAKSA-N 2 2 307.441 3.386 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)C2 ZINC001169094954 1092523578 /nfs/dbraw/zinc/52/35/78/1092523578.db2.gz NZHJCNIEOOONFY-IYWMVGAKSA-N 2 2 307.441 3.386 20 0 DGADLP CC1(C)C[C@H](Nc2ccc3c([nH+]2)CCOC3)C[C@](C)(C[NH3+])C1 ZINC001169139512 1092551437 /nfs/dbraw/zinc/55/14/37/1092551437.db2.gz BHYHDTPGMVTJSW-KSSFIOAISA-N 2 2 303.450 3.110 20 0 DGADLP CC1(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CCCCC1 ZINC001208900944 1092576552 /nfs/dbraw/zinc/57/65/52/1092576552.db2.gz WILSANOSETVADU-HDICACEKSA-N 2 2 313.489 3.416 20 0 DGADLP CC1(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CCCCC1 ZINC001208900944 1092576562 /nfs/dbraw/zinc/57/65/62/1092576562.db2.gz WILSANOSETVADU-HDICACEKSA-N 2 2 313.489 3.416 20 0 DGADLP CC1(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)CCCCC1 ZINC001208900944 1092576569 /nfs/dbraw/zinc/57/65/69/1092576569.db2.gz WILSANOSETVADU-HDICACEKSA-N 2 2 313.489 3.416 20 0 DGADLP CC1(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)CCCCC1 ZINC001208900944 1092576581 /nfs/dbraw/zinc/57/65/81/1092576581.db2.gz WILSANOSETVADU-HDICACEKSA-N 2 2 313.489 3.416 20 0 DGADLP CC1(C)C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208934273 1092596180 /nfs/dbraw/zinc/59/61/80/1092596180.db2.gz YARIGZKQMDASRL-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208934273 1092596186 /nfs/dbraw/zinc/59/61/86/1092596186.db2.gz YARIGZKQMDASRL-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001208934273 1092596195 /nfs/dbraw/zinc/59/61/95/1092596195.db2.gz YARIGZKQMDASRL-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC1(C)C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001208934273 1092596203 /nfs/dbraw/zinc/59/62/03/1092596203.db2.gz YARIGZKQMDASRL-GOSISDBHSA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001169231179 1092603610 /nfs/dbraw/zinc/60/36/10/1092603610.db2.gz UWYFLTNCSWKTRR-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP CC(C)[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946293 1092605700 /nfs/dbraw/zinc/60/57/00/1092605700.db2.gz UMOIBRNEXGNMRP-PMACEKPBSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC001208946293 1092605704 /nfs/dbraw/zinc/60/57/04/1092605704.db2.gz UMOIBRNEXGNMRP-PMACEKPBSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC001208946293 1092605708 /nfs/dbraw/zinc/60/57/08/1092605708.db2.gz UMOIBRNEXGNMRP-PMACEKPBSA-N 2 2 316.489 3.255 20 0 DGADLP CC(C)[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001208946293 1092605712 /nfs/dbraw/zinc/60/57/12/1092605712.db2.gz UMOIBRNEXGNMRP-PMACEKPBSA-N 2 2 316.489 3.255 20 0 DGADLP CCCCCC[NH+]1CCN(Cc2ccc3[nH+]ccn3c2)CC1 ZINC001143029326 1092607176 /nfs/dbraw/zinc/60/71/76/1092607176.db2.gz VCTBHDSLBVPKFK-UHFFFAOYSA-N 2 2 300.450 3.032 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608591 1092626150 /nfs/dbraw/zinc/62/61/50/1092626150.db2.gz QSALXKYGSXCCDM-OAQYLSRUSA-N 2 2 323.484 3.454 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608591 1092626155 /nfs/dbraw/zinc/62/61/55/1092626155.db2.gz QSALXKYGSXCCDM-OAQYLSRUSA-N 2 2 323.484 3.454 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608591 1092626160 /nfs/dbraw/zinc/62/61/60/1092626160.db2.gz QSALXKYGSXCCDM-OAQYLSRUSA-N 2 2 323.484 3.454 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001276608591 1092626167 /nfs/dbraw/zinc/62/61/67/1092626167.db2.gz QSALXKYGSXCCDM-OAQYLSRUSA-N 2 2 323.484 3.454 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624407 1092697229 /nfs/dbraw/zinc/69/72/29/1092697229.db2.gz WZSYFMBPGMOTRH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624407 1092697230 /nfs/dbraw/zinc/69/72/30/1092697230.db2.gz WZSYFMBPGMOTRH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624407 1092697233 /nfs/dbraw/zinc/69/72/33/1092697233.db2.gz WZSYFMBPGMOTRH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cncc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)c1 ZINC001276624407 1092697235 /nfs/dbraw/zinc/69/72/35/1092697235.db2.gz WZSYFMBPGMOTRH-FQEVSTJZSA-N 2 2 324.472 3.206 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](CCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001209281131 1092723799 /nfs/dbraw/zinc/72/37/99/1092723799.db2.gz ACDYREUABGNNJC-GASCZTMLSA-N 2 2 312.379 3.131 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](CCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001209281131 1092723803 /nfs/dbraw/zinc/72/38/03/1092723803.db2.gz ACDYREUABGNNJC-GASCZTMLSA-N 2 2 312.379 3.131 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](CCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001209281131 1092723811 /nfs/dbraw/zinc/72/38/11/1092723811.db2.gz ACDYREUABGNNJC-GASCZTMLSA-N 2 2 312.379 3.131 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](CCc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001209281131 1092723816 /nfs/dbraw/zinc/72/38/16/1092723816.db2.gz ACDYREUABGNNJC-GASCZTMLSA-N 2 2 312.379 3.131 20 0 DGADLP Nc1cc[nH+]cc1C[NH+]1CCN(c2cccc3sccc32)CC1 ZINC001209733538 1092894923 /nfs/dbraw/zinc/89/49/23/1092894923.db2.gz ZNAYPALLMVXPTN-UHFFFAOYSA-N 2 2 324.453 3.031 20 0 DGADLP c1cn(-c2cccc(CN3CC[NH2+]C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC001210215375 1093081249 /nfs/dbraw/zinc/08/12/49/1093081249.db2.gz HGLFMHBNQDFPBK-FQEVSTJZSA-N 2 2 318.424 3.019 20 0 DGADLP COc1ccc2[nH+]ccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)c2n1 ZINC001210705134 1093253040 /nfs/dbraw/zinc/25/30/40/1093253040.db2.gz AVKMOSXDZJNOCS-HNNXBMFYSA-N 2 2 324.428 3.004 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000303394496 1093809243 /nfs/dbraw/zinc/80/92/43/1093809243.db2.gz UHZHYASFHYFHOY-ICSRJNTNSA-N 2 2 315.505 3.115 20 0 DGADLP C[NH+](C)C[C@@H]([NH2+][C@@H]1CCCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC001170800441 1094433618 /nfs/dbraw/zinc/43/36/18/1094433618.db2.gz BFFIDBCZDVCDCP-MJMGGKPFSA-N 2 2 320.521 3.292 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770341 1094605000 /nfs/dbraw/zinc/60/50/00/1094605000.db2.gz KIFUCDVZFGQRNB-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770341 1094605008 /nfs/dbraw/zinc/60/50/08/1094605008.db2.gz KIFUCDVZFGQRNB-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770341 1094605017 /nfs/dbraw/zinc/60/50/17/1094605017.db2.gz KIFUCDVZFGQRNB-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(N4CCCC4)o3)C2)C1 ZINC001276770341 1094605020 /nfs/dbraw/zinc/60/50/20/1094605020.db2.gz KIFUCDVZFGQRNB-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc3ccccc3s2)cc1 ZINC001218581921 1094835366 /nfs/dbraw/zinc/83/53/66/1094835366.db2.gz QHIIMPJINXGHOM-CQSZACIVSA-N 2 2 311.410 3.112 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001170947462 1094993682 /nfs/dbraw/zinc/99/36/82/1094993682.db2.gz XAQQPTCSVOMANC-INIZCTEOSA-N 2 2 304.865 3.367 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001170971116 1095054036 /nfs/dbraw/zinc/05/40/36/1095054036.db2.gz NZQMMTYSGKQCHO-JKSUJKDBSA-N 2 2 302.437 3.290 20 0 DGADLP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001170971116 1095054051 /nfs/dbraw/zinc/05/40/51/1095054051.db2.gz NZQMMTYSGKQCHO-JKSUJKDBSA-N 2 2 302.437 3.290 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000315069790 1095085588 /nfs/dbraw/zinc/08/55/88/1095085588.db2.gz RLVDIQRAWCRZEJ-IBGZPJMESA-N 3 2 303.494 3.001 20 0 DGADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001171030906 1095160151 /nfs/dbraw/zinc/16/01/51/1095160151.db2.gz QOVIYKKNZJLILI-CVEARBPZSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001171030906 1095160153 /nfs/dbraw/zinc/16/01/53/1095160153.db2.gz QOVIYKKNZJLILI-CVEARBPZSA-N 2 2 304.865 3.271 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000316838764 1095195016 /nfs/dbraw/zinc/19/50/16/1095195016.db2.gz QXBSWLULSCYQDE-IPELMVKDSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000316838764 1095195021 /nfs/dbraw/zinc/19/50/21/1095195021.db2.gz QXBSWLULSCYQDE-IPELMVKDSA-N 2 2 302.462 3.324 20 0 DGADLP COc1ncc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001137007569 1095281965 /nfs/dbraw/zinc/28/19/65/1095281965.db2.gz FIWUSNFWJNRXNH-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP COc1ncc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001137007569 1095281978 /nfs/dbraw/zinc/28/19/78/1095281978.db2.gz FIWUSNFWJNRXNH-UHFFFAOYSA-N 2 2 322.412 3.216 20 0 DGADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001143627228 1095319329 /nfs/dbraw/zinc/31/93/29/1095319329.db2.gz FRUZQJLDOAEACQ-UHFFFAOYSA-N 2 2 300.780 3.146 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OCC)c1 ZINC001222148374 1095457870 /nfs/dbraw/zinc/45/78/70/1095457870.db2.gz NBPZBRREVZMOTD-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OCC)c1 ZINC001222148374 1095457876 /nfs/dbraw/zinc/45/78/76/1095457876.db2.gz NBPZBRREVZMOTD-LJQANCHMSA-N 2 2 318.461 3.060 20 0 DGADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222155200 1095463225 /nfs/dbraw/zinc/46/32/25/1095463225.db2.gz XPNGLBIQEZOMAF-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP CC(C)Oc1cc(F)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222155200 1095463230 /nfs/dbraw/zinc/46/32/30/1095463230.db2.gz XPNGLBIQEZOMAF-SFHVURJKSA-N 2 2 306.425 3.188 20 0 DGADLP Clc1ccnc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160724 1095467096 /nfs/dbraw/zinc/46/70/96/1095467096.db2.gz IEWBAKBXVFUYDO-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccnc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222160724 1095467104 /nfs/dbraw/zinc/46/71/04/1095467104.db2.gz IEWBAKBXVFUYDO-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222161432 1095467780 /nfs/dbraw/zinc/46/77/80/1095467780.db2.gz OGHNTXGLQDPCKX-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)nc1 ZINC001222161432 1095467787 /nfs/dbraw/zinc/46/77/87/1095467787.db2.gz OGHNTXGLQDPCKX-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP c1ccc2[nH]c(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222162012 1095469860 /nfs/dbraw/zinc/46/98/60/1095469860.db2.gz WCAKNPGKBQHHDC-IBGZPJMESA-N 2 2 312.461 3.309 20 0 DGADLP c1ccc2[nH]c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)nc2c1 ZINC001222162012 1095469862 /nfs/dbraw/zinc/46/98/62/1095469862.db2.gz WCAKNPGKBQHHDC-IBGZPJMESA-N 2 2 312.461 3.309 20 0 DGADLP Clc1cncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161960 1095469884 /nfs/dbraw/zinc/46/98/84/1095469884.db2.gz UHPFPETUGNYFKJ-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161960 1095469887 /nfs/dbraw/zinc/46/98/87/1095469887.db2.gz UHPFPETUGNYFKJ-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222191825 1095483991 /nfs/dbraw/zinc/48/39/91/1095483991.db2.gz PMYLMXUEJQGFME-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222191825 1095483998 /nfs/dbraw/zinc/48/39/98/1095483998.db2.gz PMYLMXUEJQGFME-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171133577 1095493493 /nfs/dbraw/zinc/49/34/93/1095493493.db2.gz NLKYXOZTMBZFLB-KRWDZBQOSA-N 2 2 303.837 3.416 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171133577 1095493496 /nfs/dbraw/zinc/49/34/96/1095493496.db2.gz NLKYXOZTMBZFLB-KRWDZBQOSA-N 2 2 303.837 3.416 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222277201 1095524949 /nfs/dbraw/zinc/52/49/49/1095524949.db2.gz LLGOVVKZUCHSSU-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222277201 1095524956 /nfs/dbraw/zinc/52/49/56/1095524956.db2.gz LLGOVVKZUCHSSU-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1F ZINC001222278231 1095526190 /nfs/dbraw/zinc/52/61/90/1095526190.db2.gz YMPJRSHINBSENK-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1F ZINC001222278231 1095526200 /nfs/dbraw/zinc/52/62/00/1095526200.db2.gz YMPJRSHINBSENK-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1cc(F)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222315207 1095546122 /nfs/dbraw/zinc/54/61/22/1095546122.db2.gz KWAKVBVJOIAFCE-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1cc(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c(F)c1 ZINC001222315207 1095546135 /nfs/dbraw/zinc/54/61/35/1095546135.db2.gz KWAKVBVJOIAFCE-SFHVURJKSA-N 2 2 324.415 3.472 20 0 DGADLP CCOc1ncc(Cl)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321490 1095551058 /nfs/dbraw/zinc/55/10/58/1095551058.db2.gz XMKMCGHRKFWXHR-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1ncc(Cl)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321490 1095551073 /nfs/dbraw/zinc/55/10/73/1095551073.db2.gz XMKMCGHRKFWXHR-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001144212875 1095557731 /nfs/dbraw/zinc/55/77/31/1095557731.db2.gz ONLQCIPDUJTMPB-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP Cc1cc(Br)cc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001144212875 1095557740 /nfs/dbraw/zinc/55/77/40/1095557740.db2.gz ONLQCIPDUJTMPB-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152910 1095574322 /nfs/dbraw/zinc/57/43/22/1095574322.db2.gz USHWVYXYYPJSKX-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152910 1095574327 /nfs/dbraw/zinc/57/43/27/1095574327.db2.gz USHWVYXYYPJSKX-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)sc1C ZINC001144378085 1095625021 /nfs/dbraw/zinc/62/50/21/1095625021.db2.gz SPIHEOFTTZVQCG-AWEZNQCLSA-N 2 2 303.431 3.117 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)sc1C ZINC001144378085 1095625030 /nfs/dbraw/zinc/62/50/30/1095625030.db2.gz SPIHEOFTTZVQCG-AWEZNQCLSA-N 2 2 303.431 3.117 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144416976 1095649171 /nfs/dbraw/zinc/64/91/71/1095649171.db2.gz ZPZOUOGTUNPIAG-UHFFFAOYSA-N 2 2 318.852 3.275 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144416976 1095649182 /nfs/dbraw/zinc/64/91/82/1095649182.db2.gz ZPZOUOGTUNPIAG-UHFFFAOYSA-N 2 2 318.852 3.275 20 0 DGADLP CCc1cccc(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001341002994 1096092807 /nfs/dbraw/zinc/09/28/07/1096092807.db2.gz BIKGZTKTFSDJPR-UHFFFAOYSA-N 2 2 320.396 3.319 20 0 DGADLP c1cn(CC[NH2+][C@@]23CC[C@@](Nc4ccsc4)(C2)CCC3)c[nH+]1 ZINC001276966699 1096195201 /nfs/dbraw/zinc/19/52/01/1096195201.db2.gz AKMMQCZDZHQAMI-DLBZAZTESA-N 2 2 316.474 3.492 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@@H+]1C ZINC001119507836 1096216538 /nfs/dbraw/zinc/21/65/38/1096216538.db2.gz RDNPGFJAZZGKPH-ZFWWWQNUSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(F)F)CC[N@H+]1C ZINC001119507836 1096216547 /nfs/dbraw/zinc/21/65/47/1096216547.db2.gz RDNPGFJAZZGKPH-ZFWWWQNUSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507836 1096216557 /nfs/dbraw/zinc/21/65/57/1096216557.db2.gz RDNPGFJAZZGKPH-ZFWWWQNUSA-N 2 2 312.404 3.245 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCC(F)F)CC[NH+]1C ZINC001119507836 1096216563 /nfs/dbraw/zinc/21/65/63/1096216563.db2.gz RDNPGFJAZZGKPH-ZFWWWQNUSA-N 2 2 312.404 3.245 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171355916 1096524984 /nfs/dbraw/zinc/52/49/84/1096524984.db2.gz VVHKTTOLBQZMED-CVEARBPZSA-N 2 2 308.416 3.142 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171355916 1096524990 /nfs/dbraw/zinc/52/49/90/1096524990.db2.gz VVHKTTOLBQZMED-CVEARBPZSA-N 2 2 308.416 3.142 20 0 DGADLP CN(C)c1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001277097379 1096604938 /nfs/dbraw/zinc/60/49/38/1096604938.db2.gz QVTCEAHGWYNSCH-IBGZPJMESA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001277097379 1096604940 /nfs/dbraw/zinc/60/49/40/1096604940.db2.gz QVTCEAHGWYNSCH-IBGZPJMESA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001277097379 1096604944 /nfs/dbraw/zinc/60/49/44/1096604944.db2.gz QVTCEAHGWYNSCH-IBGZPJMESA-N 2 2 319.468 3.200 20 0 DGADLP CN(C)c1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001277097379 1096604948 /nfs/dbraw/zinc/60/49/48/1096604948.db2.gz QVTCEAHGWYNSCH-IBGZPJMESA-N 2 2 319.468 3.200 20 0 DGADLP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277129100 1096693151 /nfs/dbraw/zinc/69/31/51/1096693151.db2.gz SYKSLTOOINBSTJ-IBGZPJMESA-N 2 2 320.452 3.451 20 0 DGADLP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277129100 1096693153 /nfs/dbraw/zinc/69/31/53/1096693153.db2.gz SYKSLTOOINBSTJ-IBGZPJMESA-N 2 2 320.452 3.451 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001277129100 1096693156 /nfs/dbraw/zinc/69/31/56/1096693156.db2.gz SYKSLTOOINBSTJ-IBGZPJMESA-N 2 2 320.452 3.451 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277129100 1096693160 /nfs/dbraw/zinc/69/31/60/1096693160.db2.gz SYKSLTOOINBSTJ-IBGZPJMESA-N 2 2 320.452 3.451 20 0 DGADLP Fc1cc2c(cc1F)C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171494167 1096899322 /nfs/dbraw/zinc/89/93/22/1096899322.db2.gz QKNKSRARMYDQPY-DZGCQCFKSA-N 2 2 317.383 3.358 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1(C)C ZINC001171628631 1096929720 /nfs/dbraw/zinc/92/97/20/1096929720.db2.gz DOLZZPPJQITSEK-HOTGVXAUSA-N 2 2 306.494 3.471 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1(C)C ZINC001171628631 1096929724 /nfs/dbraw/zinc/92/97/24/1096929724.db2.gz DOLZZPPJQITSEK-HOTGVXAUSA-N 2 2 306.494 3.471 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1(C)C ZINC001171628630 1096929922 /nfs/dbraw/zinc/92/99/22/1096929922.db2.gz DOLZZPPJQITSEK-CVEARBPZSA-N 2 2 306.494 3.471 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1(C)C ZINC001171628630 1096929926 /nfs/dbraw/zinc/92/99/26/1096929926.db2.gz DOLZZPPJQITSEK-CVEARBPZSA-N 2 2 306.494 3.471 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001171727711 1096955418 /nfs/dbraw/zinc/95/54/18/1096955418.db2.gz GBWLGMJNUZLBJT-RNQOJCNYSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H](NCc2[nH+]cn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001171739976 1096973357 /nfs/dbraw/zinc/97/33/57/1096973357.db2.gz RFSLWODBHSSCTR-SJLPKXTDSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1C[C@@H](NCc2[nH+]cn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC001171739976 1096973363 /nfs/dbraw/zinc/97/33/63/1096973363.db2.gz RFSLWODBHSSCTR-SJLPKXTDSA-N 2 2 320.440 3.087 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964197 1097006811 /nfs/dbraw/zinc/00/68/11/1097006811.db2.gz KVQUMNDXQCZAKK-QGZVFWFLSA-N 2 2 302.462 3.387 20 0 DGADLP CC(=O)C(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171964197 1097006813 /nfs/dbraw/zinc/00/68/13/1097006813.db2.gz KVQUMNDXQCZAKK-QGZVFWFLSA-N 2 2 302.462 3.387 20 0 DGADLP C[C@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975724 1097022550 /nfs/dbraw/zinc/02/25/50/1097022550.db2.gz DZWMNRVBEXICCD-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975724 1097022555 /nfs/dbraw/zinc/02/25/55/1097022555.db2.gz DZWMNRVBEXICCD-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975724 1097022562 /nfs/dbraw/zinc/02/25/62/1097022562.db2.gz DZWMNRVBEXICCD-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171975724 1097022567 /nfs/dbraw/zinc/02/25/67/1097022567.db2.gz DZWMNRVBEXICCD-FUHWJXTLSA-N 2 2 302.462 3.150 20 0 DGADLP C[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064945 1097043853 /nfs/dbraw/zinc/04/38/53/1097043853.db2.gz JFTLRGSNWVNQCG-OWZKRDHZSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064945 1097043859 /nfs/dbraw/zinc/04/38/59/1097043859.db2.gz JFTLRGSNWVNQCG-OWZKRDHZSA-N 3 2 315.505 3.113 20 0 DGADLP c1cn(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001172069540 1097046053 /nfs/dbraw/zinc/04/60/53/1097046053.db2.gz UYIZMQGZLNEAOG-ACDBMABISA-N 3 2 324.472 3.058 20 0 DGADLP c1cn(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001172069540 1097046058 /nfs/dbraw/zinc/04/60/58/1097046058.db2.gz UYIZMQGZLNEAOG-ACDBMABISA-N 3 2 324.472 3.058 20 0 DGADLP COCCC[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC001172243553 1097089180 /nfs/dbraw/zinc/08/91/80/1097089180.db2.gz OACWHNWCBXRQOS-UHFFFAOYSA-N 2 2 322.880 3.420 20 0 DGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001172256436 1097093344 /nfs/dbraw/zinc/09/33/44/1097093344.db2.gz WHCFHJPEHBUHDW-LJQANCHMSA-N 2 2 320.452 3.464 20 0 DGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001172256436 1097093348 /nfs/dbraw/zinc/09/33/48/1097093348.db2.gz WHCFHJPEHBUHDW-LJQANCHMSA-N 2 2 320.452 3.464 20 0 DGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@H]1C ZINC001172371368 1097128877 /nfs/dbraw/zinc/12/88/77/1097128877.db2.gz FDDRSWJRIMDSFF-RBSFLKMASA-N 2 2 314.433 3.102 20 0 DGADLP C[C@@H]1CC[C@@H]([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)C[C@H]1C ZINC001172371368 1097128878 /nfs/dbraw/zinc/12/88/78/1097128878.db2.gz FDDRSWJRIMDSFF-RBSFLKMASA-N 2 2 314.433 3.102 20 0 DGADLP CC[C@H](CC(C)C)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001172401115 1097145851 /nfs/dbraw/zinc/14/58/51/1097145851.db2.gz YQKAXUKMLDCTLS-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@H](CC(C)C)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001172401115 1097145854 /nfs/dbraw/zinc/14/58/54/1097145854.db2.gz YQKAXUKMLDCTLS-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001172401115 1097145858 /nfs/dbraw/zinc/14/58/58/1097145858.db2.gz YQKAXUKMLDCTLS-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001172401115 1097145859 /nfs/dbraw/zinc/14/58/59/1097145859.db2.gz YQKAXUKMLDCTLS-MRXNPFEDSA-N 2 2 321.513 3.149 20 0 DGADLP CC[C@H](CC(C)C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172402128 1097146080 /nfs/dbraw/zinc/14/60/80/1097146080.db2.gz MYQXPMBGFJSEEY-CQSZACIVSA-N 2 2 302.422 3.102 20 0 DGADLP CC[C@H](CC(C)C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001172402128 1097146083 /nfs/dbraw/zinc/14/60/83/1097146083.db2.gz MYQXPMBGFJSEEY-CQSZACIVSA-N 2 2 302.422 3.102 20 0 DGADLP CC(C)COCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172473379 1097147995 /nfs/dbraw/zinc/14/79/95/1097147995.db2.gz LWVSBLREUDMBEH-INIZCTEOSA-N 2 2 306.450 3.376 20 0 DGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC001172555134 1097179099 /nfs/dbraw/zinc/17/90/99/1097179099.db2.gz GQXOHZSQMKIANH-QYZOEREBSA-N 2 2 314.473 3.166 20 0 DGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC001172555134 1097179104 /nfs/dbraw/zinc/17/91/04/1097179104.db2.gz GQXOHZSQMKIANH-QYZOEREBSA-N 2 2 314.473 3.166 20 0 DGADLP CC1(C)CC([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC(C)(C)O1 ZINC001172661911 1097205889 /nfs/dbraw/zinc/20/58/89/1097205889.db2.gz RBEWJYANANTQBH-HOTGVXAUSA-N 2 2 312.473 3.231 20 0 DGADLP CC1(C)CC([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC(C)(C)O1 ZINC001172661911 1097205890 /nfs/dbraw/zinc/20/58/90/1097205890.db2.gz RBEWJYANANTQBH-HOTGVXAUSA-N 2 2 312.473 3.231 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173550 1097213547 /nfs/dbraw/zinc/21/35/47/1097213547.db2.gz IEHNYGSFZIJLNN-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173550 1097213554 /nfs/dbraw/zinc/21/35/54/1097213554.db2.gz IEHNYGSFZIJLNN-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001172714727 1097229650 /nfs/dbraw/zinc/22/96/50/1097229650.db2.gz COZTXSYNQNYAGQ-SJORKVTESA-N 2 2 304.865 3.414 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001172714727 1097229654 /nfs/dbraw/zinc/22/96/54/1097229654.db2.gz COZTXSYNQNYAGQ-SJORKVTESA-N 2 2 304.865 3.414 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001172838343 1097256418 /nfs/dbraw/zinc/25/64/18/1097256418.db2.gz NZEOOSXLEYBSBK-SFTDATJTSA-N 2 2 306.453 3.238 20 0 DGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1Cc3ccccc3C[C@H]1C[NH3+])CC2 ZINC001172838343 1097256421 /nfs/dbraw/zinc/25/64/21/1097256421.db2.gz NZEOOSXLEYBSBK-SFTDATJTSA-N 2 2 306.453 3.238 20 0 DGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C)C[NH+](C)C ZINC001173081411 1097326032 /nfs/dbraw/zinc/32/60/32/1097326032.db2.gz DVQPYWWJZIUYJY-VXGBXAGGSA-N 2 2 304.356 3.056 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)n1cc[nH+]c1CC[NH3+] ZINC001173082278 1097326568 /nfs/dbraw/zinc/32/65/68/1097326568.db2.gz KPJMZCJDQKJYRG-NSHDSACASA-N 2 2 313.323 3.087 20 0 DGADLP CC[NH+](CC)C1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001173113687 1097332904 /nfs/dbraw/zinc/33/29/04/1097332904.db2.gz BRAIXXQPNYNNJF-KLAILNCOSA-N 3 2 304.482 3.176 20 0 DGADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001206192116 1097357089 /nfs/dbraw/zinc/35/70/89/1097357089.db2.gz HQKCMDUKSNCLPG-CQSZACIVSA-N 2 2 303.431 3.117 20 0 DGADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001206192116 1097357094 /nfs/dbraw/zinc/35/70/94/1097357094.db2.gz HQKCMDUKSNCLPG-CQSZACIVSA-N 2 2 303.431 3.117 20 0 DGADLP CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001173263222 1097389349 /nfs/dbraw/zinc/38/93/49/1097389349.db2.gz GYPNHMRSVCFOKJ-VQIMIIECSA-N 2 2 302.462 3.187 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2OC)C1 ZINC001173277586 1097410187 /nfs/dbraw/zinc/41/01/87/1097410187.db2.gz UYFSRLFXMUMPCS-BTHPGYMESA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2OC)C1 ZINC001173277586 1097410191 /nfs/dbraw/zinc/41/01/91/1097410191.db2.gz UYFSRLFXMUMPCS-BTHPGYMESA-N 2 2 316.489 3.444 20 0 DGADLP Cc1cccc2[nH+]cc(Nc3ccc(C[NH+]4CCOCC4)cc3)n21 ZINC001174445423 1097717699 /nfs/dbraw/zinc/71/76/99/1097717699.db2.gz HVCPLNBNEWWHGT-UHFFFAOYSA-N 2 2 322.412 3.219 20 0 DGADLP Cc1c[nH+]ccc1Nc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001174536307 1097747930 /nfs/dbraw/zinc/74/79/30/1097747930.db2.gz TZQAAOYNVOINRG-UHFFFAOYSA-N 2 2 300.362 3.298 20 0 DGADLP CCOc1ncccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001231766759 1097837424 /nfs/dbraw/zinc/83/74/24/1097837424.db2.gz IUZGYTJXZSMXCG-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ncccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001231766759 1097837432 /nfs/dbraw/zinc/83/74/32/1097837432.db2.gz IUZGYTJXZSMXCG-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1cc(F)ncc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231985041 1097909484 /nfs/dbraw/zinc/90/94/84/1097909484.db2.gz SBMCQGAGJRJKQN-KRWDZBQOSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1cc(F)ncc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001231985041 1097909489 /nfs/dbraw/zinc/90/94/89/1097909489.db2.gz SBMCQGAGJRJKQN-KRWDZBQOSA-N 2 2 305.441 3.370 20 0 DGADLP Fc1ccccc1N1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014701 1097918190 /nfs/dbraw/zinc/91/81/90/1097918190.db2.gz MRPAZGBCJBZRMN-UHFFFAOYSA-N 2 2 310.376 3.024 20 0 DGADLP FC(F)(F)c1n[nH]c2c1CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232017820 1097919940 /nfs/dbraw/zinc/91/99/40/1097919940.db2.gz YYOBUKKQFQICRS-CQSZACIVSA-N 2 2 321.306 3.419 20 0 DGADLP CC(C)[N@H+](Cc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC001232075717 1097932272 /nfs/dbraw/zinc/93/22/72/1097932272.db2.gz SUIJHKIHFAEGCR-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC001232075717 1097932274 /nfs/dbraw/zinc/93/22/74/1097932274.db2.gz SUIJHKIHFAEGCR-UHFFFAOYSA-N 2 2 315.383 3.405 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cc3ccncc3[nH]2)C2CCCC2)CC1 ZINC001232096239 1097938441 /nfs/dbraw/zinc/93/84/41/1097938441.db2.gz DKXRDCFPZZUXNO-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cc3ccncc3[nH]2)C2CCCC2)CC1 ZINC001232096239 1097938445 /nfs/dbraw/zinc/93/84/45/1097938445.db2.gz DKXRDCFPZZUXNO-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC001232282929 1097992901 /nfs/dbraw/zinc/99/29/01/1097992901.db2.gz FSEOFNHXAKIXGW-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP CN(C)c1ccc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c[nH+]1 ZINC001175346268 1098002917 /nfs/dbraw/zinc/00/29/17/1098002917.db2.gz PSWIULDGSSEDMK-INIZCTEOSA-N 2 2 312.417 3.276 20 0 DGADLP COc1cc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001232356042 1098013896 /nfs/dbraw/zinc/01/38/96/1098013896.db2.gz SYPIMCQVBPJAJB-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP COc1cc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001232356042 1098013902 /nfs/dbraw/zinc/01/39/02/1098013902.db2.gz SYPIMCQVBPJAJB-UHFFFAOYSA-N 2 2 317.477 3.237 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(F)ccc1N ZINC001232510628 1098062902 /nfs/dbraw/zinc/06/29/02/1098062902.db2.gz DEUDGBKNYKEXNW-UHFFFAOYSA-N 2 2 310.376 3.226 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(F)ccc1N ZINC001232510628 1098062906 /nfs/dbraw/zinc/06/29/06/1098062906.db2.gz DEUDGBKNYKEXNW-UHFFFAOYSA-N 2 2 310.376 3.226 20 0 DGADLP CN(C)c1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC001175504669 1098073498 /nfs/dbraw/zinc/07/34/98/1098073498.db2.gz AUNQAIYIZLZUJE-UHFFFAOYSA-N 2 2 308.429 3.349 20 0 DGADLP c1nc2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2s1 ZINC001232730912 1098121160 /nfs/dbraw/zinc/12/11/60/1098121160.db2.gz ABPVZUQYUVZRGP-UHFFFAOYSA-N 2 2 301.459 3.357 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2C)C1 ZINC001232753642 1098128418 /nfs/dbraw/zinc/12/84/18/1098128418.db2.gz BHFDBTJTIXBEKN-OAHLLOKOSA-N 2 2 317.820 3.400 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2C)C1 ZINC001232753642 1098128420 /nfs/dbraw/zinc/12/84/20/1098128420.db2.gz BHFDBTJTIXBEKN-OAHLLOKOSA-N 2 2 317.820 3.400 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(C)c(F)cc2F)CC1 ZINC001232785050 1098134982 /nfs/dbraw/zinc/13/49/82/1098134982.db2.gz TWDOVFASEQDRIO-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP CC[NH+]1CCN(c2ccc(Nc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001175782925 1098170294 /nfs/dbraw/zinc/17/02/94/1098170294.db2.gz YJUFJRLIUOABCW-UHFFFAOYSA-N 2 2 321.428 3.220 20 0 DGADLP c1cc2c(c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c1)CCO2 ZINC001233273644 1098271931 /nfs/dbraw/zinc/27/19/31/1098271931.db2.gz LOPLUZAIXQGIJU-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP CCCCCC[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC001233363013 1098301295 /nfs/dbraw/zinc/30/12/95/1098301295.db2.gz AFPOZLSAYBFFSK-UHFFFAOYSA-N 2 2 300.450 3.032 20 0 DGADLP Cc1c[nH+]c(Nc2ccc(OCCC[NH+](C)C)nc2)c(C)c1 ZINC001176354854 1098330002 /nfs/dbraw/zinc/33/00/02/1098330002.db2.gz SWNJUPUETVKWHU-UHFFFAOYSA-N 2 2 300.406 3.168 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233433590 1098331800 /nfs/dbraw/zinc/33/18/00/1098331800.db2.gz ITPPVOQDICGTDX-UHFFFAOYSA-N 2 2 309.454 3.045 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233433590 1098331806 /nfs/dbraw/zinc/33/18/06/1098331806.db2.gz ITPPVOQDICGTDX-UHFFFAOYSA-N 2 2 309.454 3.045 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206277291 1098382906 /nfs/dbraw/zinc/38/29/06/1098382906.db2.gz QTUCIUQUIBPADU-CYBMUJFWSA-N 2 2 301.459 3.160 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206277291 1098382911 /nfs/dbraw/zinc/38/29/11/1098382911.db2.gz QTUCIUQUIBPADU-CYBMUJFWSA-N 2 2 301.459 3.160 20 0 DGADLP O=c1[nH]cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2ccccc21 ZINC001233965589 1098467997 /nfs/dbraw/zinc/46/79/97/1098467997.db2.gz YSNRBMFDRLHCHM-UHFFFAOYSA-N 2 2 311.429 3.001 20 0 DGADLP CNc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001177471808 1098536083 /nfs/dbraw/zinc/53/60/83/1098536083.db2.gz YVSUQWXEDFRDGN-UHFFFAOYSA-N 2 2 310.376 3.343 20 0 DGADLP COc1cccc(O[C@H]2CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)c1 ZINC001234627573 1098623915 /nfs/dbraw/zinc/62/39/15/1098623915.db2.gz PVIJPYZRXLPUPU-KRWDZBQOSA-N 2 2 315.417 3.079 20 0 DGADLP COc1cccc(O[C@H]2CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)c1 ZINC001234627573 1098623919 /nfs/dbraw/zinc/62/39/19/1098623919.db2.gz PVIJPYZRXLPUPU-KRWDZBQOSA-N 2 2 315.417 3.079 20 0 DGADLP Cc1[nH]c(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)C2)c(C)[nH+]1 ZINC001234654201 1098633192 /nfs/dbraw/zinc/63/31/92/1098633192.db2.gz FDDLCECNPYAKIN-FQEVSTJZSA-N 2 2 324.472 3.267 20 0 DGADLP Cc1[nH]c(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)c(C)[nH+]1 ZINC001234654201 1098633195 /nfs/dbraw/zinc/63/31/95/1098633195.db2.gz FDDLCECNPYAKIN-FQEVSTJZSA-N 2 2 324.472 3.267 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC001177932010 1098659113 /nfs/dbraw/zinc/65/91/13/1098659113.db2.gz GIUOKYHVXVQVKT-UHFFFAOYSA-N 2 2 307.401 3.064 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3CC4CC3(C[NH3+])C4)c2)cc1 ZINC001235007762 1098749039 /nfs/dbraw/zinc/74/90/39/1098749039.db2.gz MQGCKEXZEIYFTH-UHFFFAOYSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3CC4CC3(C[NH3+])C4)c2)cc1 ZINC001235007762 1098749046 /nfs/dbraw/zinc/74/90/46/1098749046.db2.gz MQGCKEXZEIYFTH-UHFFFAOYSA-N 2 2 308.425 3.285 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916614 1098752584 /nfs/dbraw/zinc/75/25/84/1098752584.db2.gz LTISTRRAMACUQN-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916614 1098752595 /nfs/dbraw/zinc/75/25/95/1098752595.db2.gz LTISTRRAMACUQN-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916614 1098752605 /nfs/dbraw/zinc/75/26/05/1098752605.db2.gz LTISTRRAMACUQN-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCC(=O)c3ccccc3)C2)C1 ZINC001277916614 1098752611 /nfs/dbraw/zinc/75/26/11/1098752611.db2.gz LTISTRRAMACUQN-LJQANCHMSA-N 2 2 300.446 3.067 20 0 DGADLP CC(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235020096 1098755642 /nfs/dbraw/zinc/75/56/42/1098755642.db2.gz OVFZJCDTOJSADP-UHFFFAOYSA-N 2 2 308.223 3.475 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235020096 1098755648 /nfs/dbraw/zinc/75/56/48/1098755648.db2.gz OVFZJCDTOJSADP-UHFFFAOYSA-N 2 2 308.223 3.475 20 0 DGADLP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235025915 1098757916 /nfs/dbraw/zinc/75/79/16/1098757916.db2.gz GLEFYRCIFQOJCA-AZUAARDMSA-N 2 2 308.425 3.059 20 0 DGADLP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235025915 1098757926 /nfs/dbraw/zinc/75/79/26/1098757926.db2.gz GLEFYRCIFQOJCA-AZUAARDMSA-N 2 2 308.425 3.059 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)cn1 ZINC001235039635 1098765544 /nfs/dbraw/zinc/76/55/44/1098765544.db2.gz WVBHFXYAZZGJMM-SFHVURJKSA-N 2 2 321.440 3.116 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)cn1 ZINC001235039635 1098765556 /nfs/dbraw/zinc/76/55/56/1098765556.db2.gz WVBHFXYAZZGJMM-SFHVURJKSA-N 2 2 321.440 3.116 20 0 DGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccn1 ZINC001235041027 1098770348 /nfs/dbraw/zinc/77/03/48/1098770348.db2.gz WONJHIBRBVFLOB-IBGZPJMESA-N 2 2 301.478 3.487 20 0 DGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccn1 ZINC001235041027 1098770354 /nfs/dbraw/zinc/77/03/54/1098770354.db2.gz WONJHIBRBVFLOB-IBGZPJMESA-N 2 2 301.478 3.487 20 0 DGADLP CCCCCCc1csc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235062970 1098779307 /nfs/dbraw/zinc/77/93/07/1098779307.db2.gz NHKJSADVFNXHCN-GOSISDBHSA-N 2 2 321.534 3.008 20 0 DGADLP CCCCCCc1csc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235062970 1098779317 /nfs/dbraw/zinc/77/93/17/1098779317.db2.gz NHKJSADVFNXHCN-GOSISDBHSA-N 2 2 321.534 3.008 20 0 DGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345791 1098787501 /nfs/dbraw/zinc/78/75/01/1098787501.db2.gz LTWFKOJGZKOUHP-UHFFFAOYSA-N 2 2 322.497 3.045 20 0 DGADLP CCCCCC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178350516 1098789300 /nfs/dbraw/zinc/78/93/00/1098789300.db2.gz VXWJZFSKFXZIAU-UHFFFAOYSA-N 2 2 322.497 3.189 20 0 DGADLP Cc1ncsc1C[N@@H+]1CCC[C@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277922866 1098799745 /nfs/dbraw/zinc/79/97/45/1098799745.db2.gz OFGAKYINGFJKSQ-KRWDZBQOSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1ncsc1C[N@H+]1CCC[C@]2(CCC[NH+](C3CC3)C2)C1 ZINC001277922866 1098799753 /nfs/dbraw/zinc/79/97/53/1098799753.db2.gz OFGAKYINGFJKSQ-KRWDZBQOSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1ncsc1C[NH+]1CCC[C@]2(CCC[N@@H+](C3CC3)C2)C1 ZINC001277922866 1098799762 /nfs/dbraw/zinc/79/97/62/1098799762.db2.gz OFGAKYINGFJKSQ-KRWDZBQOSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1ncsc1C[NH+]1CCC[C@]2(CCC[N@H+](C3CC3)C2)C1 ZINC001277922866 1098799768 /nfs/dbraw/zinc/79/97/68/1098799768.db2.gz OFGAKYINGFJKSQ-KRWDZBQOSA-N 2 2 305.491 3.292 20 0 DGADLP c1ccc(-c2ccccc2C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235117291 1098817772 /nfs/dbraw/zinc/81/77/72/1098817772.db2.gz KYZUWJMCMLWHMI-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2ccccc2C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235117291 1098817784 /nfs/dbraw/zinc/81/77/84/1098817784.db2.gz KYZUWJMCMLWHMI-NRFANRHFSA-N 2 2 322.452 3.308 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235176396 1098856557 /nfs/dbraw/zinc/85/65/57/1098856557.db2.gz WHGOFFVXPQZEEQ-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235176396 1098856573 /nfs/dbraw/zinc/85/65/73/1098856573.db2.gz WHGOFFVXPQZEEQ-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP Fc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001235177956 1098859216 /nfs/dbraw/zinc/85/92/16/1098859216.db2.gz SVIOQJDQCHUATM-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001235177956 1098859221 /nfs/dbraw/zinc/85/92/21/1098859221.db2.gz SVIOQJDQCHUATM-SFHVURJKSA-N 2 2 301.409 3.415 20 0 DGADLP Brc1ccc(CCC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209875 1098881901 /nfs/dbraw/zinc/88/19/01/1098881901.db2.gz SLFQPCRFGYYVBY-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccc(CCC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209875 1098881910 /nfs/dbraw/zinc/88/19/10/1098881910.db2.gz SLFQPCRFGYYVBY-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP c1ccc(OCC[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249073 1098922686 /nfs/dbraw/zinc/92/26/86/1098922686.db2.gz KILLJLKBRBJZSF-NHCUHLMSSA-N 2 2 322.452 3.287 20 0 DGADLP c1ccc(OCC[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249073 1098922690 /nfs/dbraw/zinc/92/26/90/1098922690.db2.gz KILLJLKBRBJZSF-NHCUHLMSSA-N 2 2 322.452 3.287 20 0 DGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC(F)(F)F)cc1Cl ZINC001235256146 1098927083 /nfs/dbraw/zinc/92/70/83/1098927083.db2.gz QJSRWAVJZDKHGX-KWBADKCTSA-N 2 2 320.742 3.160 20 0 DGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC(F)(F)F)cc1Cl ZINC001235256146 1098927102 /nfs/dbraw/zinc/92/71/02/1098927102.db2.gz QJSRWAVJZDKHGX-KWBADKCTSA-N 2 2 320.742 3.160 20 0 DGADLP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)c(F)c1 ZINC001235260096 1098930679 /nfs/dbraw/zinc/93/06/79/1098930679.db2.gz NCPXGZOHSWYRJR-DNVCBOLYSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)c(F)c1 ZINC001235260096 1098930692 /nfs/dbraw/zinc/93/06/92/1098930692.db2.gz NCPXGZOHSWYRJR-DNVCBOLYSA-N 2 2 314.379 3.426 20 0 DGADLP CC(C)COc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206352355 1098966511 /nfs/dbraw/zinc/96/65/11/1098966511.db2.gz UZZJIHIXPAXAMV-SFHVURJKSA-N 2 2 308.441 3.374 20 0 DGADLP CC(C)COc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206352355 1098966519 /nfs/dbraw/zinc/96/65/19/1098966519.db2.gz UZZJIHIXPAXAMV-SFHVURJKSA-N 2 2 308.441 3.374 20 0 DGADLP C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235342071 1098966947 /nfs/dbraw/zinc/96/69/47/1098966947.db2.gz HZIZOBJHWSJDOI-GOSISDBHSA-N 2 2 320.440 3.209 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235342071 1098966954 /nfs/dbraw/zinc/96/69/54/1098966954.db2.gz HZIZOBJHWSJDOI-GOSISDBHSA-N 2 2 320.440 3.209 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCCCC[NH2+]C(C)C)c(C)[nH+]1 ZINC001179084666 1099012581 /nfs/dbraw/zinc/01/25/81/1099012581.db2.gz HGHDWWAGCIOPMT-UHFFFAOYSA-N 2 2 305.466 3.295 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(OC(C)C)cc2C)CC1 ZINC001235429299 1099021776 /nfs/dbraw/zinc/02/17/76/1099021776.db2.gz RAFHSYLHYCJUBM-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(OC(C)C)cc2C)CC1 ZINC001235429299 1099021789 /nfs/dbraw/zinc/02/17/89/1099021789.db2.gz RAFHSYLHYCJUBM-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP COc1ccccc1CC1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC001235443360 1099036425 /nfs/dbraw/zinc/03/64/25/1099036425.db2.gz NVVJNKLBDNUICP-GOSISDBHSA-N 2 2 302.462 3.092 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(F)c(OC)c1 ZINC001235440562 1099036623 /nfs/dbraw/zinc/03/66/23/1099036623.db2.gz NLWXSVVRBBACKG-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(F)c(OC)c1 ZINC001235440562 1099036634 /nfs/dbraw/zinc/03/66/34/1099036634.db2.gz NLWXSVVRBBACKG-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP CCC[C@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358923 1099067752 /nfs/dbraw/zinc/06/77/52/1099067752.db2.gz LUTJUINPNCOCDT-MSOLQXFVSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179358923 1099067765 /nfs/dbraw/zinc/06/77/65/1099067765.db2.gz LUTJUINPNCOCDT-MSOLQXFVSA-N 2 2 304.478 3.180 20 0 DGADLP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@@H](C)[NH3+])CC3)C2)cc1 ZINC001235598209 1099097248 /nfs/dbraw/zinc/09/72/48/1099097248.db2.gz VHXKERMHMMJPQY-GOSISDBHSA-N 3 2 315.505 3.020 20 0 DGADLP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C[C@@H](C)[NH3+])CC3)C2)cc1 ZINC001235598209 1099097261 /nfs/dbraw/zinc/09/72/61/1099097261.db2.gz VHXKERMHMMJPQY-GOSISDBHSA-N 3 2 315.505 3.020 20 0 DGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2C)CC1 ZINC001235727563 1099150627 /nfs/dbraw/zinc/15/06/27/1099150627.db2.gz YYTJLDJVWBMOIK-UHFFFAOYSA-N 2 2 316.367 3.468 20 0 DGADLP CCCOc1ccc(C[N@H+](CCCOC)[C@H]2CCC[NH2+]C2)cc1 ZINC001235808597 1099189107 /nfs/dbraw/zinc/18/91/07/1099189107.db2.gz VWLZQGYTFXLQEN-SFHVURJKSA-N 2 2 320.477 3.066 20 0 DGADLP CCCOc1ccc(C[N@@H+](CCCOC)[C@H]2CCC[NH2+]C2)cc1 ZINC001235808597 1099189112 /nfs/dbraw/zinc/18/91/12/1099189112.db2.gz VWLZQGYTFXLQEN-SFHVURJKSA-N 2 2 320.477 3.066 20 0 DGADLP COCCC[N@H+](Cc1c[nH]c2cccc(C)c12)[C@@H]1CCC[NH2+]C1 ZINC001235808531 1099189920 /nfs/dbraw/zinc/18/99/20/1099189920.db2.gz USFQUACBRIVFGY-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP COCCC[N@@H+](Cc1c[nH]c2cccc(C)c12)[C@@H]1CCC[NH2+]C1 ZINC001235808531 1099189925 /nfs/dbraw/zinc/18/99/25/1099189925.db2.gz USFQUACBRIVFGY-QGZVFWFLSA-N 2 2 315.461 3.067 20 0 DGADLP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235814863 1099192546 /nfs/dbraw/zinc/19/25/46/1099192546.db2.gz JESZYUSDURAQIV-QGZVFWFLSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1nc(F)ccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235814863 1099192548 /nfs/dbraw/zinc/19/25/48/1099192548.db2.gz JESZYUSDURAQIV-QGZVFWFLSA-N 2 2 305.441 3.370 20 0 DGADLP C[N@H+](CCc1ccccc1Cl)C[C@H]([NH3+])Cc1ccccc1 ZINC001235838712 1099202095 /nfs/dbraw/zinc/20/20/95/1099202095.db2.gz BFMCFASIBMQJDD-QGZVFWFLSA-N 2 2 302.849 3.384 20 0 DGADLP C[N@@H+](CCc1ccccc1Cl)C[C@H]([NH3+])Cc1ccccc1 ZINC001235838712 1099202100 /nfs/dbraw/zinc/20/21/00/1099202100.db2.gz BFMCFASIBMQJDD-QGZVFWFLSA-N 2 2 302.849 3.384 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235841720 1099204090 /nfs/dbraw/zinc/20/40/90/1099204090.db2.gz IBUDHJBASCZNGC-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001235841720 1099204098 /nfs/dbraw/zinc/20/40/98/1099204098.db2.gz IBUDHJBASCZNGC-SNVBAGLBSA-N 2 2 322.758 3.280 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235840759 1099205362 /nfs/dbraw/zinc/20/53/62/1099205362.db2.gz AAIRWDHQBZPHDH-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235840759 1099205369 /nfs/dbraw/zinc/20/53/69/1099205369.db2.gz AAIRWDHQBZPHDH-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2sc(C)nc2c1 ZINC001235856917 1099219213 /nfs/dbraw/zinc/21/92/13/1099219213.db2.gz GBMVFQOVKMZQPD-UHFFFAOYSA-N 2 2 300.431 3.323 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2sc(C)nc2c1 ZINC001235856917 1099219216 /nfs/dbraw/zinc/21/92/16/1099219216.db2.gz GBMVFQOVKMZQPD-UHFFFAOYSA-N 2 2 300.431 3.323 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Br ZINC001235925585 1099260933 /nfs/dbraw/zinc/26/09/33/1099260933.db2.gz WHVKPOSAZWZWEC-NSHDSACASA-N 2 2 317.658 3.416 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Br ZINC001235925585 1099260942 /nfs/dbraw/zinc/26/09/42/1099260942.db2.gz WHVKPOSAZWZWEC-NSHDSACASA-N 2 2 317.658 3.416 20 0 DGADLP Cc1c(F)cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925516 1099261182 /nfs/dbraw/zinc/26/11/82/1099261182.db2.gz RMLIJFWPLMCNBH-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1c(F)cc(C[N@H+]2CCC[C@H]2CC[NH3+])cc1Br ZINC001235925516 1099261188 /nfs/dbraw/zinc/26/11/88/1099261188.db2.gz RMLIJFWPLMCNBH-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC001235950480 1099282649 /nfs/dbraw/zinc/28/26/49/1099282649.db2.gz HWVLUQRKIXSKSO-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC001235950480 1099282655 /nfs/dbraw/zinc/28/26/55/1099282655.db2.gz HWVLUQRKIXSKSO-NSHDSACASA-N 2 2 304.331 3.276 20 0 DGADLP CC(C)Oc1c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)ccc(F)c1F ZINC001235958696 1099292343 /nfs/dbraw/zinc/29/23/43/1099292343.db2.gz IVZYKRIUSDRMSU-ZDUSSCGKSA-N 2 2 312.404 3.183 20 0 DGADLP CC(C)Oc1c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc(F)c1F ZINC001235958696 1099292351 /nfs/dbraw/zinc/29/23/51/1099292351.db2.gz IVZYKRIUSDRMSU-ZDUSSCGKSA-N 2 2 312.404 3.183 20 0 DGADLP C[C@@H]1c2cccn2CC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235963155 1099293385 /nfs/dbraw/zinc/29/33/85/1099293385.db2.gz VBIHCTMXGKCRQD-OAHLLOKOSA-N 2 2 320.440 3.123 20 0 DGADLP C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235963155 1099293394 /nfs/dbraw/zinc/29/33/94/1099293394.db2.gz VBIHCTMXGKCRQD-OAHLLOKOSA-N 2 2 320.440 3.123 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990341 1099314559 /nfs/dbraw/zinc/31/45/59/1099314559.db2.gz GIGUWSZRLCZGEC-YJBOKZPZSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990341 1099314570 /nfs/dbraw/zinc/31/45/70/1099314570.db2.gz GIGUWSZRLCZGEC-YJBOKZPZSA-N 2 2 313.832 3.325 20 0 DGADLP CCN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236007734 1099329456 /nfs/dbraw/zinc/32/94/56/1099329456.db2.gz AZCJWJCRZOLNIH-MRXNPFEDSA-N 2 2 318.852 3.100 20 0 DGADLP Fc1c(C[NH+]2CC3(C2)CCC[NH2+]CC3)cccc1C(F)(F)F ZINC001236009529 1099332189 /nfs/dbraw/zinc/33/21/89/1099332189.db2.gz UWBSDLUKGYUICO-UHFFFAOYSA-N 2 2 316.342 3.420 20 0 DGADLP Clc1ccsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012855 1099334509 /nfs/dbraw/zinc/33/45/09/1099334509.db2.gz SKICFPYQLDEPLI-PBHICJAKSA-N 2 2 318.873 3.375 20 0 DGADLP Clc1ccsc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012855 1099334523 /nfs/dbraw/zinc/33/45/23/1099334523.db2.gz SKICFPYQLDEPLI-PBHICJAKSA-N 2 2 318.873 3.375 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045255 1099347563 /nfs/dbraw/zinc/34/75/63/1099347563.db2.gz BLSUHJBCZABYHN-RDJZCZTQSA-N 2 2 320.440 3.195 20 0 DGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC001236045255 1099347574 /nfs/dbraw/zinc/34/75/74/1099347574.db2.gz BLSUHJBCZABYHN-RDJZCZTQSA-N 2 2 320.440 3.195 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236046560 1099348576 /nfs/dbraw/zinc/34/85/76/1099348576.db2.gz HHVDFAQPMNRITQ-SWLSCSKDSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236046560 1099348586 /nfs/dbraw/zinc/34/85/86/1099348586.db2.gz HHVDFAQPMNRITQ-SWLSCSKDSA-N 2 2 301.459 3.288 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)ccc2c1 ZINC001236060171 1099358946 /nfs/dbraw/zinc/35/89/46/1099358946.db2.gz BBWWGGSSYRBKTE-LPHOPBHVSA-N 2 2 309.457 3.090 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)ccc2c1 ZINC001236060171 1099358959 /nfs/dbraw/zinc/35/89/59/1099358959.db2.gz BBWWGGSSYRBKTE-LPHOPBHVSA-N 2 2 309.457 3.090 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236065522 1099364341 /nfs/dbraw/zinc/36/43/41/1099364341.db2.gz AUEABPZKSCFMAH-NSHDSACASA-N 2 2 322.758 3.280 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001236065522 1099364353 /nfs/dbraw/zinc/36/43/53/1099364353.db2.gz AUEABPZKSCFMAH-NSHDSACASA-N 2 2 322.758 3.280 20 0 DGADLP OCCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001236093691 1099382834 /nfs/dbraw/zinc/38/28/34/1099382834.db2.gz XKIQIANXRPVKEL-MTQWCTHYSA-N 2 2 318.505 3.044 20 0 DGADLP OCCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001236093691 1099382846 /nfs/dbraw/zinc/38/28/46/1099382846.db2.gz XKIQIANXRPVKEL-MTQWCTHYSA-N 2 2 318.505 3.044 20 0 DGADLP OCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001236093691 1099382859 /nfs/dbraw/zinc/38/28/59/1099382859.db2.gz XKIQIANXRPVKEL-MTQWCTHYSA-N 2 2 318.505 3.044 20 0 DGADLP OCCCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001236093691 1099382871 /nfs/dbraw/zinc/38/28/71/1099382871.db2.gz XKIQIANXRPVKEL-MTQWCTHYSA-N 2 2 318.505 3.044 20 0 DGADLP c1csc([C@H]2C[NH2+]CCN2Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001236116676 1099404798 /nfs/dbraw/zinc/40/47/98/1099404798.db2.gz MSHAJLLUAGORPL-QGZVFWFLSA-N 2 2 324.453 3.080 20 0 DGADLP Clc1cnc2c(c1)C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001236158511 1099437623 /nfs/dbraw/zinc/43/76/23/1099437623.db2.gz QDIPEEHPVITTHM-UHFFFAOYSA-N 2 2 307.869 3.406 20 0 DGADLP Clc1cnc2c(c1)C[N@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001236158511 1099437629 /nfs/dbraw/zinc/43/76/29/1099437629.db2.gz QDIPEEHPVITTHM-UHFFFAOYSA-N 2 2 307.869 3.406 20 0 DGADLP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217961 1099473486 /nfs/dbraw/zinc/47/34/86/1099473486.db2.gz QXLXDGNYKUKDAV-UONOGXRCSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217961 1099473489 /nfs/dbraw/zinc/47/34/89/1099473489.db2.gz QXLXDGNYKUKDAV-UONOGXRCSA-N 2 2 320.330 3.426 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216732 1099473566 /nfs/dbraw/zinc/47/35/66/1099473566.db2.gz MCHFKMFHUVSWJG-DLBZAZTESA-N 2 2 318.852 3.227 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218306 1099475544 /nfs/dbraw/zinc/47/55/44/1099475544.db2.gz RXBICRHJOIAJPL-RTBURBONSA-N 3 2 313.489 3.390 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc21 ZINC001236218306 1099475549 /nfs/dbraw/zinc/47/55/49/1099475549.db2.gz RXBICRHJOIAJPL-RTBURBONSA-N 3 2 313.489 3.390 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC001236219658 1099477316 /nfs/dbraw/zinc/47/73/16/1099477316.db2.gz XGCPZFFZXKLSTC-KGLIPLIRSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1C(F)(F)F ZINC001236219658 1099477321 /nfs/dbraw/zinc/47/73/21/1099477321.db2.gz XGCPZFFZXKLSTC-KGLIPLIRSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001236239385 1099493246 /nfs/dbraw/zinc/49/32/46/1099493246.db2.gz KKYPHZFWWSCCCO-KRWDZBQOSA-N 2 2 302.462 3.337 20 0 DGADLP COc1cc(C)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001236239385 1099493250 /nfs/dbraw/zinc/49/32/50/1099493250.db2.gz KKYPHZFWWSCCCO-KRWDZBQOSA-N 2 2 302.462 3.337 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236239946 1099493718 /nfs/dbraw/zinc/49/37/18/1099493718.db2.gz JOJQGHFSVPQQRU-LJQANCHMSA-N 2 2 307.441 3.465 20 0 DGADLP c1ccc(-c2ccncc2)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236239946 1099493722 /nfs/dbraw/zinc/49/37/22/1099493722.db2.gz JOJQGHFSVPQQRU-LJQANCHMSA-N 2 2 307.441 3.465 20 0 DGADLP COc1ccccc1CC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270433 1099511441 /nfs/dbraw/zinc/51/14/41/1099511441.db2.gz RYYBNWZHBCYCTD-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP COc1ccccc1CC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270433 1099511454 /nfs/dbraw/zinc/51/14/54/1099511454.db2.gz RYYBNWZHBCYCTD-FQEVSTJZSA-N 2 2 324.468 3.492 20 0 DGADLP c1cn2cccc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)c2[nH+]1 ZINC001236272059 1099513761 /nfs/dbraw/zinc/51/37/61/1099513761.db2.gz WRSRGIDIJGTCEZ-LJQANCHMSA-N 2 2 320.440 3.089 20 0 DGADLP CCC[N@H+](Cc1cc(C)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC001236323317 1099538087 /nfs/dbraw/zinc/53/80/87/1099538087.db2.gz DLNUOFNPBHMECU-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1cc(C)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC001236323317 1099538096 /nfs/dbraw/zinc/53/80/96/1099538096.db2.gz DLNUOFNPBHMECU-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP COCC[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236330764 1099542473 /nfs/dbraw/zinc/54/24/73/1099542473.db2.gz UTZWJWDZIAFGBU-CGTJXYLNSA-N 2 2 322.880 3.144 20 0 DGADLP COCC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236330764 1099542484 /nfs/dbraw/zinc/54/24/84/1099542484.db2.gz UTZWJWDZIAFGBU-CGTJXYLNSA-N 2 2 322.880 3.144 20 0 DGADLP COC(C)(C)CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387432 1099567622 /nfs/dbraw/zinc/56/76/22/1099567622.db2.gz CFYAMIHYMIZHLU-QGZVFWFLSA-N 2 2 308.441 3.195 20 0 DGADLP COC(C)(C)CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387432 1099567635 /nfs/dbraw/zinc/56/76/35/1099567635.db2.gz CFYAMIHYMIZHLU-QGZVFWFLSA-N 2 2 308.441 3.195 20 0 DGADLP CC[N@@H+](Cc1c(F)cccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236407455 1099580785 /nfs/dbraw/zinc/58/07/85/1099580785.db2.gz FUHBKWASKQYOAE-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP CC[N@H+](Cc1c(F)cccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236407455 1099580797 /nfs/dbraw/zinc/58/07/97/1099580797.db2.gz FUHBKWASKQYOAE-LLVKDONJSA-N 2 2 304.331 3.276 20 0 DGADLP C[N@H+](Cc1cccc(-c2ccc(Cl)cc2)n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411453 1099586450 /nfs/dbraw/zinc/58/64/50/1099586450.db2.gz MJRKINHMPKJSRM-VQFNDLOPSA-N 2 2 313.832 3.052 20 0 DGADLP C[N@@H+](Cc1cccc(-c2ccc(Cl)cc2)n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411453 1099586458 /nfs/dbraw/zinc/58/64/58/1099586458.db2.gz MJRKINHMPKJSRM-VQFNDLOPSA-N 2 2 313.832 3.052 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001236421662 1099597471 /nfs/dbraw/zinc/59/74/71/1099597471.db2.gz RSCYMOWDCRSXPF-CZUORRHYSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001236421662 1099597476 /nfs/dbraw/zinc/59/74/76/1099597476.db2.gz RSCYMOWDCRSXPF-CZUORRHYSA-N 2 2 314.429 3.169 20 0 DGADLP CCc1cc(NC2CCC(C)([NH+]3CCC3)CC2)nc(CC)[nH+]1 ZINC001187799192 1099605599 /nfs/dbraw/zinc/60/55/99/1099605599.db2.gz OLGRCMGOOIYQNG-UHFFFAOYSA-N 2 2 302.466 3.420 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236436499 1099612416 /nfs/dbraw/zinc/61/24/16/1099612416.db2.gz YBFARASSQWIKMU-LJQANCHMSA-N 2 2 314.404 3.138 20 0 DGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236436499 1099612420 /nfs/dbraw/zinc/61/24/20/1099612420.db2.gz YBFARASSQWIKMU-LJQANCHMSA-N 2 2 314.404 3.138 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468656 1099628553 /nfs/dbraw/zinc/62/85/53/1099628553.db2.gz KTNNBPAQUYZKCI-GOSISDBHSA-N 2 2 312.461 3.348 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468656 1099628554 /nfs/dbraw/zinc/62/85/54/1099628554.db2.gz KTNNBPAQUYZKCI-GOSISDBHSA-N 2 2 312.461 3.348 20 0 DGADLP Cc1cccc2c(C[N@@H+](CC(C)C)[C@@H]3CCC[NH2+]C3)[nH]nc21 ZINC001236472736 1099631788 /nfs/dbraw/zinc/63/17/88/1099631788.db2.gz BSDQTFOCVBHILL-OAHLLOKOSA-N 2 2 300.450 3.081 20 0 DGADLP Cc1cccc2c(C[N@H+](CC(C)C)[C@@H]3CCC[NH2+]C3)[nH]nc21 ZINC001236472736 1099631791 /nfs/dbraw/zinc/63/17/91/1099631791.db2.gz BSDQTFOCVBHILL-OAHLLOKOSA-N 2 2 300.450 3.081 20 0 DGADLP CC(C)[N@H+](Cc1ccc(-c2ccn(C)n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236471083 1099631872 /nfs/dbraw/zinc/63/18/72/1099631872.db2.gz PRJWWEUTPJMNMK-GOSISDBHSA-N 2 2 312.461 3.050 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(-c2ccn(C)n2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236471083 1099631876 /nfs/dbraw/zinc/63/18/76/1099631876.db2.gz PRJWWEUTPJMNMK-GOSISDBHSA-N 2 2 312.461 3.050 20 0 DGADLP CC(C)N(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@H]1CC[NH2+]C1 ZINC001236527165 1099661919 /nfs/dbraw/zinc/66/19/19/1099661919.db2.gz HZNMGZFNLZVGKN-INIZCTEOSA-N 2 2 318.852 3.098 20 0 DGADLP CC(C)Oc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccn1 ZINC001236559958 1099679286 /nfs/dbraw/zinc/67/92/86/1099679286.db2.gz BQAGXTGGCXZBRF-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccn1 ZINC001236559958 1099679293 /nfs/dbraw/zinc/67/92/93/1099679293.db2.gz BQAGXTGGCXZBRF-KRWDZBQOSA-N 2 2 311.429 3.069 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236614794 1099704272 /nfs/dbraw/zinc/70/42/72/1099704272.db2.gz BPHVNTYRVUJBAW-HNNXBMFYSA-N 2 2 311.267 3.182 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236614794 1099704280 /nfs/dbraw/zinc/70/42/80/1099704280.db2.gz BPHVNTYRVUJBAW-HNNXBMFYSA-N 2 2 311.267 3.182 20 0 DGADLP Oc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc1F ZINC001236704572 1099750131 /nfs/dbraw/zinc/75/01/31/1099750131.db2.gz CNTAJHQZWXQEMU-INIZCTEOSA-N 2 2 306.425 3.372 20 0 DGADLP Oc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc1F ZINC001236704572 1099750140 /nfs/dbraw/zinc/75/01/40/1099750140.db2.gz CNTAJHQZWXQEMU-INIZCTEOSA-N 2 2 306.425 3.372 20 0 DGADLP CCC[N@@H+](Cc1ccc(Cl)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236845151 1099831153 /nfs/dbraw/zinc/83/11/53/1099831153.db2.gz ZFMGSVFITUGLEW-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1ccc(Cl)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236845151 1099831169 /nfs/dbraw/zinc/83/11/69/1099831169.db2.gz ZFMGSVFITUGLEW-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)CCC[NH2+]C2CCCCC2)CC1 ZINC001236848629 1099832933 /nfs/dbraw/zinc/83/29/33/1099832933.db2.gz QWDSAGROPMYEKD-UHFFFAOYSA-N 3 2 309.542 3.495 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)CCC[NH2+]C2CCCCC2)CC1 ZINC001236848629 1099832944 /nfs/dbraw/zinc/83/29/44/1099832944.db2.gz QWDSAGROPMYEKD-UHFFFAOYSA-N 3 2 309.542 3.495 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236909772 1099869702 /nfs/dbraw/zinc/86/97/02/1099869702.db2.gz XTAZNOFXLFFBGC-UONOGXRCSA-N 2 2 318.852 3.050 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236909772 1099869712 /nfs/dbraw/zinc/86/97/12/1099869712.db2.gz XTAZNOFXLFFBGC-UONOGXRCSA-N 2 2 318.852 3.050 20 0 DGADLP C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914101 1099873724 /nfs/dbraw/zinc/87/37/24/1099873724.db2.gz QEIODGRLJLNEAA-KGLIPLIRSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001236918107 1099876063 /nfs/dbraw/zinc/87/60/63/1099876063.db2.gz XJZKJPFABUAOAK-YOEHRIQHSA-N 2 2 317.820 3.137 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001237045208 1099941305 /nfs/dbraw/zinc/94/13/05/1099941305.db2.gz ZASUCPUFZFQOIT-MOPGFXCFSA-N 2 2 324.424 3.310 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001237045208 1099941319 /nfs/dbraw/zinc/94/13/19/1099941319.db2.gz ZASUCPUFZFQOIT-MOPGFXCFSA-N 2 2 324.424 3.310 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001237058569 1099951443 /nfs/dbraw/zinc/95/14/43/1099951443.db2.gz QJQGCCCBHRPZEQ-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001237058569 1099951449 /nfs/dbraw/zinc/95/14/49/1099951449.db2.gz QJQGCCCBHRPZEQ-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP Cc1c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cccc1-c1ccccc1 ZINC001237143145 1099991694 /nfs/dbraw/zinc/99/16/94/1099991694.db2.gz PPDJMSBEESNEOP-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP Cc1c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cccc1-c1ccccc1 ZINC001237143145 1099991705 /nfs/dbraw/zinc/99/17/05/1099991705.db2.gz PPDJMSBEESNEOP-NRFANRHFSA-N 2 2 322.452 3.226 20 0 DGADLP COc1cc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237144718 1099995341 /nfs/dbraw/zinc/99/53/41/1099995341.db2.gz LEJCHMBTCZAWMD-GOSISDBHSA-N 2 2 302.462 3.419 20 0 DGADLP COc1cc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237144718 1099995353 /nfs/dbraw/zinc/99/53/53/1099995353.db2.gz LEJCHMBTCZAWMD-GOSISDBHSA-N 2 2 302.462 3.419 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237153687 1100002121 /nfs/dbraw/zinc/00/21/21/1100002121.db2.gz GTHHWGPGVWPWRB-HNNXBMFYSA-N 2 2 316.474 3.245 20 0 DGADLP c1csc(-c2n[nH]cc2C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237153687 1100002132 /nfs/dbraw/zinc/00/21/32/1100002132.db2.gz GTHHWGPGVWPWRB-HNNXBMFYSA-N 2 2 316.474 3.245 20 0 DGADLP COc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001237155581 1100004857 /nfs/dbraw/zinc/00/48/57/1100004857.db2.gz SLJNJBMTZQOOGD-OAHLLOKOSA-N 2 2 308.853 3.455 20 0 DGADLP COc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001237155581 1100004866 /nfs/dbraw/zinc/00/48/66/1100004866.db2.gz SLJNJBMTZQOOGD-OAHLLOKOSA-N 2 2 308.853 3.455 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](CC2OC=CC2=S)CC1 ZINC001237179703 1100018805 /nfs/dbraw/zinc/01/88/05/1100018805.db2.gz HLKMXBNAVQNGJM-UHFFFAOYSA-N 2 2 303.431 3.011 20 0 DGADLP Cc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1O ZINC001237289563 1100062841 /nfs/dbraw/zinc/06/28/41/1100062841.db2.gz PZTGLIYBCJSBKD-UHFFFAOYSA-N 2 2 322.452 3.338 20 0 DGADLP CNc1ccc(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237310311 1100073521 /nfs/dbraw/zinc/07/35/21/1100073521.db2.gz HHXAZVNAOGLACE-UHFFFAOYSA-N 2 2 307.441 3.323 20 0 DGADLP CNc1ccc(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237310311 1100073525 /nfs/dbraw/zinc/07/35/25/1100073525.db2.gz HHXAZVNAOGLACE-UHFFFAOYSA-N 2 2 307.441 3.323 20 0 DGADLP COc1ccc(CC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237360138 1100094948 /nfs/dbraw/zinc/09/49/48/1100094948.db2.gz UAMRZNPVELYPPJ-UHFFFAOYSA-N 2 2 322.452 3.332 20 0 DGADLP Brc1ccccc1CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379929 1100098677 /nfs/dbraw/zinc/09/86/77/1100098677.db2.gz DVQVACMTGRAMMP-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccccc1CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379929 1100098686 /nfs/dbraw/zinc/09/86/86/1100098686.db2.gz DVQVACMTGRAMMP-ZBFHGGJFSA-N 2 2 323.278 3.066 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237394427 1100109090 /nfs/dbraw/zinc/10/90/90/1100109090.db2.gz VKLKGEPKAJQNGS-SJORKVTESA-N 2 2 318.461 3.056 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1OC(C)C ZINC001237394427 1100109095 /nfs/dbraw/zinc/10/90/95/1100109095.db2.gz VKLKGEPKAJQNGS-SJORKVTESA-N 2 2 318.461 3.056 20 0 DGADLP Clc1nccc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237418541 1100121851 /nfs/dbraw/zinc/12/18/51/1100121851.db2.gz XNIAQWFUDNOVIP-NVXWUHKLSA-N 2 2 315.848 3.462 20 0 DGADLP Clc1nccc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237418541 1100121853 /nfs/dbraw/zinc/12/18/53/1100121853.db2.gz XNIAQWFUDNOVIP-NVXWUHKLSA-N 2 2 315.848 3.462 20 0 DGADLP CC[N@H+](Cc1ccc(F)c2cccnc12)C1CC[NH+](C)CC1 ZINC001237432309 1100124310 /nfs/dbraw/zinc/12/43/10/1100124310.db2.gz PXSDXUIGWHRLQK-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c2cccnc12)C1CC[NH+](C)CC1 ZINC001237432309 1100124316 /nfs/dbraw/zinc/12/43/16/1100124316.db2.gz PXSDXUIGWHRLQK-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP Cc1ncc(C[N@@H+](C)Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)cn1 ZINC001237888317 1100284773 /nfs/dbraw/zinc/28/47/73/1100284773.db2.gz CCJZTSPDUYLNCZ-UHFFFAOYSA-N 2 2 322.456 3.418 20 0 DGADLP Cc1ncc(C[N@H+](C)Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)cn1 ZINC001237888317 1100284779 /nfs/dbraw/zinc/28/47/79/1100284779.db2.gz CCJZTSPDUYLNCZ-UHFFFAOYSA-N 2 2 322.456 3.418 20 0 DGADLP CC[N@H+](Cc1ccccc1C1CCOCC1)C1CC[NH+](C)CC1 ZINC001237902125 1100287248 /nfs/dbraw/zinc/28/72/48/1100287248.db2.gz IZYUOKXZBWKCMW-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP CC[N@@H+](Cc1ccccc1C1CCOCC1)C1CC[NH+](C)CC1 ZINC001237902125 1100287253 /nfs/dbraw/zinc/28/72/53/1100287253.db2.gz IZYUOKXZBWKCMW-UHFFFAOYSA-N 2 2 316.489 3.497 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2cncc(Cl)c2Cl)CC1 ZINC001238008657 1100324786 /nfs/dbraw/zinc/32/47/86/1100324786.db2.gz KXZYDLRFQLTSRU-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP Cc1cccnc1OC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238115942 1100366563 /nfs/dbraw/zinc/36/65/63/1100366563.db2.gz NYBWPFBUZVTHBQ-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1ccnc(OC2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c1 ZINC001238116275 1100366710 /nfs/dbraw/zinc/36/67/10/1100366710.db2.gz QTTRHTCUWONTTL-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117361 1100367138 /nfs/dbraw/zinc/36/71/38/1100367138.db2.gz YBZHNIXLYSRRHO-GOSISDBHSA-N 2 2 322.412 3.081 20 0 DGADLP Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238117361 1100367148 /nfs/dbraw/zinc/36/71/48/1100367148.db2.gz YBZHNIXLYSRRHO-GOSISDBHSA-N 2 2 322.412 3.081 20 0 DGADLP FCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205417 1100400356 /nfs/dbraw/zinc/40/03/56/1100400356.db2.gz LHVWUUYPVHOLQJ-GOSISDBHSA-N 2 2 307.457 3.442 20 0 DGADLP FCCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001278205417 1100400363 /nfs/dbraw/zinc/40/03/63/1100400363.db2.gz LHVWUUYPVHOLQJ-GOSISDBHSA-N 2 2 307.457 3.442 20 0 DGADLP FCCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205417 1100400366 /nfs/dbraw/zinc/40/03/66/1100400366.db2.gz LHVWUUYPVHOLQJ-GOSISDBHSA-N 2 2 307.457 3.442 20 0 DGADLP FCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001278205417 1100400368 /nfs/dbraw/zinc/40/03/68/1100400368.db2.gz LHVWUUYPVHOLQJ-GOSISDBHSA-N 2 2 307.457 3.442 20 0 DGADLP CC[N@H+](Cc1cnc(OC(C)C)c(C)c1)C1CC[NH+](C)CC1 ZINC001238388903 1100431611 /nfs/dbraw/zinc/43/16/11/1100431611.db2.gz DHCJCOOTYHRKJK-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CC[N@@H+](Cc1cnc(OC(C)C)c(C)c1)C1CC[NH+](C)CC1 ZINC001238388903 1100431613 /nfs/dbraw/zinc/43/16/13/1100431613.db2.gz DHCJCOOTYHRKJK-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP CCCCOc1ncc(C[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC001238496588 1100458813 /nfs/dbraw/zinc/45/88/13/1100458813.db2.gz LFEANJXJKKFSNI-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP CCCCOc1ncc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC001238496588 1100458816 /nfs/dbraw/zinc/45/88/16/1100458816.db2.gz LFEANJXJKKFSNI-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001191449439 1100460113 /nfs/dbraw/zinc/46/01/13/1100460113.db2.gz GWGKTPUDYBAKQN-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001191449439 1100460115 /nfs/dbraw/zinc/46/01/15/1100460115.db2.gz GWGKTPUDYBAKQN-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001191449434 1100460264 /nfs/dbraw/zinc/46/02/64/1100460264.db2.gz GWGKTPUDYBAKQN-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([N@H+](C)CCC(C)C)C2)c(C)[nH+]1 ZINC001191449434 1100460267 /nfs/dbraw/zinc/46/02/67/1100460267.db2.gz GWGKTPUDYBAKQN-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001238532272 1100466738 /nfs/dbraw/zinc/46/67/38/1100466738.db2.gz WBJYGUBNKKQCDM-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1c(F)ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001238532272 1100466742 /nfs/dbraw/zinc/46/67/42/1100466742.db2.gz WBJYGUBNKKQCDM-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1c(F)ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1F ZINC001238532272 1100466744 /nfs/dbraw/zinc/46/67/44/1100466744.db2.gz WBJYGUBNKKQCDM-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1c(F)ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1F ZINC001238532272 1100466746 /nfs/dbraw/zinc/46/67/46/1100466746.db2.gz WBJYGUBNKKQCDM-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP Cc1[nH]c(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)[nH+]c1C ZINC001191437372 1100467199 /nfs/dbraw/zinc/46/71/99/1100467199.db2.gz SDVRNKAITPJZTM-UHFFFAOYSA-N 2 2 318.509 3.359 20 0 DGADLP CC(C)Oc1c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc(F)c1F ZINC001238739166 1100517363 /nfs/dbraw/zinc/51/73/63/1100517363.db2.gz IFKRXXOVWCOTDZ-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc(F)c1F ZINC001238739166 1100517368 /nfs/dbraw/zinc/51/73/68/1100517368.db2.gz IFKRXXOVWCOTDZ-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc(F)c1F ZINC001238739166 1100517374 /nfs/dbraw/zinc/51/73/74/1100517374.db2.gz IFKRXXOVWCOTDZ-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc(F)c1F ZINC001238739166 1100517380 /nfs/dbraw/zinc/51/73/80/1100517380.db2.gz IFKRXXOVWCOTDZ-HIFRSBDPSA-N 2 2 324.415 3.136 20 0 DGADLP Cc1[nH+]cn(-c2ccc(-c3ccccc3C[NH+](C)C)nn2)c1C ZINC001239681526 1100724292 /nfs/dbraw/zinc/72/42/92/1100724292.db2.gz KSJRPDYMZRQXDJ-UHFFFAOYSA-N 2 2 307.401 3.008 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccnc4ccccc43)cc2)C1 ZINC001239853234 1100776037 /nfs/dbraw/zinc/77/60/37/1100776037.db2.gz PGWCMILVLPAXGE-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccnc4ccccc43)cc2)C1 ZINC001239853234 1100776040 /nfs/dbraw/zinc/77/60/40/1100776040.db2.gz PGWCMILVLPAXGE-QGZVFWFLSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc3[nH+]ccn3c2)CC1 ZINC001240218830 1100899491 /nfs/dbraw/zinc/89/94/91/1100899491.db2.gz LAKYSBGJCDJXRN-UHFFFAOYSA-N 3 2 320.440 3.172 20 0 DGADLP c1nc2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2s1 ZINC001240344104 1100949756 /nfs/dbraw/zinc/94/97/56/1100949756.db2.gz AHARVALLJSGUIV-UHFFFAOYSA-N 2 2 306.394 3.298 20 0 DGADLP c1cn2cc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)ccc2[nH+]1 ZINC001240859194 1101161593 /nfs/dbraw/zinc/16/15/93/1101161593.db2.gz NQEBAKCMELLIIR-UHFFFAOYSA-N 2 2 319.408 3.323 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3ncccc32)C1 ZINC001240939328 1101188352 /nfs/dbraw/zinc/18/83/52/1101188352.db2.gz SLFWRWAKGCIUPM-INIZCTEOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ncccc32)C1 ZINC001240939328 1101188353 /nfs/dbraw/zinc/18/83/53/1101188353.db2.gz SLFWRWAKGCIUPM-INIZCTEOSA-N 2 2 303.409 3.435 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1F ZINC001241044512 1101233872 /nfs/dbraw/zinc/23/38/72/1101233872.db2.gz AIUVVRWTHUAHFX-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1F ZINC001241044512 1101233880 /nfs/dbraw/zinc/23/38/80/1101233880.db2.gz AIUVVRWTHUAHFX-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP Fc1cc(F)c(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241095230 1101252404 /nfs/dbraw/zinc/25/24/04/1101252404.db2.gz RHSPHQISGIICSW-UHFFFAOYSA-N 2 2 303.287 3.105 20 0 DGADLP CCOc1ccc(F)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241103622 1101255828 /nfs/dbraw/zinc/25/58/28/1101255828.db2.gz UQYPZXDDEORQSJ-UHFFFAOYSA-N 2 2 311.360 3.226 20 0 DGADLP COc1cc(C)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1C ZINC001241135639 1101269227 /nfs/dbraw/zinc/26/92/27/1101269227.db2.gz YFAAPISRAIJPEU-UHFFFAOYSA-N 2 2 307.397 3.314 20 0 DGADLP CC(=O)c1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1F ZINC001241258605 1101326091 /nfs/dbraw/zinc/32/60/91/1101326091.db2.gz GUDIKJXDLMBPGF-UHFFFAOYSA-N 2 2 309.344 3.030 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001241276815 1101341293 /nfs/dbraw/zinc/34/12/93/1101341293.db2.gz SCQGADNNYSQXLO-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001241276815 1101341308 /nfs/dbraw/zinc/34/13/08/1101341308.db2.gz SCQGADNNYSQXLO-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP Cc1[nH]c(CN2CCC[C@H]2CC[NH+]2CCC(C)CC2)[nH+]c1C ZINC001196936117 1101437256 /nfs/dbraw/zinc/43/72/56/1101437256.db2.gz PYRFSHNEGDBCAN-KRWDZBQOSA-N 2 2 304.482 3.113 20 0 DGADLP Nc1cn2ccc(C3=CC[N@H+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC001241504167 1101520399 /nfs/dbraw/zinc/52/03/99/1101520399.db2.gz PSAUKHQBPYXCCE-UHFFFAOYSA-N 2 2 304.397 3.206 20 0 DGADLP Nc1cn2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC001241504167 1101520403 /nfs/dbraw/zinc/52/04/03/1101520403.db2.gz PSAUKHQBPYXCCE-UHFFFAOYSA-N 2 2 304.397 3.206 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3nc4[nH]c(C)cc4c[nH+]3)cc2)CC1 ZINC001241738484 1101671768 /nfs/dbraw/zinc/67/17/68/1101671768.db2.gz QMCXVWSPWVYTBR-UHFFFAOYSA-N 2 2 321.428 3.027 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc4c(c3)CCCN4)ccn12 ZINC001241834669 1101737162 /nfs/dbraw/zinc/73/71/62/1101737162.db2.gz GUMMCURNPLNOSX-UHFFFAOYSA-N 2 2 304.397 3.046 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)F)cc2)C1 ZINC001241952828 1101800922 /nfs/dbraw/zinc/80/09/22/1101800922.db2.gz NTFJCQSRUGIMOR-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)F)cc2)C1 ZINC001241952828 1101800939 /nfs/dbraw/zinc/80/09/39/1101800939.db2.gz NTFJCQSRUGIMOR-OAHLLOKOSA-N 2 2 318.367 3.488 20 0 DGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)cc1F ZINC001242049402 1101881973 /nfs/dbraw/zinc/88/19/73/1101881973.db2.gz QWPSTXHBKYVPKJ-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)cc1F ZINC001242049402 1101881993 /nfs/dbraw/zinc/88/19/93/1101881993.db2.gz QWPSTXHBKYVPKJ-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP Fc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203914388 1101951957 /nfs/dbraw/zinc/95/19/57/1101951957.db2.gz UJCPHVNBRILMOX-IYBDPMFKSA-N 2 2 316.445 3.451 20 0 DGADLP Fc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203914388 1101951960 /nfs/dbraw/zinc/95/19/60/1101951960.db2.gz UJCPHVNBRILMOX-IYBDPMFKSA-N 2 2 316.445 3.451 20 0 DGADLP Fc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203914388 1101951964 /nfs/dbraw/zinc/95/19/64/1101951964.db2.gz UJCPHVNBRILMOX-IYBDPMFKSA-N 2 2 316.445 3.451 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC001198769876 1101980840 /nfs/dbraw/zinc/98/08/40/1101980840.db2.gz OSSKPDQCSLYKHF-UHFFFAOYSA-N 2 2 321.371 3.401 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4cnccc4c3)cc2)C1 ZINC001242246620 1102006191 /nfs/dbraw/zinc/00/61/91/1102006191.db2.gz GSPAFJDXJJEMBL-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4cnccc4c3)cc2)C1 ZINC001242246620 1102006210 /nfs/dbraw/zinc/00/62/10/1102006210.db2.gz GSPAFJDXJJEMBL-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4cccnc4c3)c2)C1 ZINC001242253480 1102009217 /nfs/dbraw/zinc/00/92/17/1102009217.db2.gz SVXXIQFNLZJQGL-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4cccnc4c3)c2)C1 ZINC001242253480 1102009232 /nfs/dbraw/zinc/00/92/32/1102009232.db2.gz SVXXIQFNLZJQGL-IBGZPJMESA-N 2 2 303.409 3.435 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242284330 1102027413 /nfs/dbraw/zinc/02/74/13/1102027413.db2.gz ADHIYVAJFBMSTG-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2n[nH]cc2cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242284330 1102027428 /nfs/dbraw/zinc/02/74/28/1102027428.db2.gz ADHIYVAJFBMSTG-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242307633 1102043310 /nfs/dbraw/zinc/04/33/10/1102043310.db2.gz ZYGCQJGIZCWRSP-CQSZACIVSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242307633 1102043326 /nfs/dbraw/zinc/04/33/26/1102043326.db2.gz ZYGCQJGIZCWRSP-CQSZACIVSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1cc(Cl)ccc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001199085180 1102061558 /nfs/dbraw/zinc/06/15/58/1102061558.db2.gz JHOQYCLITPPOHR-GJZGRUSLSA-N 2 2 310.869 3.237 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3O)cc2)C1 ZINC001242365587 1102079130 /nfs/dbraw/zinc/07/91/30/1102079130.db2.gz FZGDJSFYCPHUBR-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3O)cc2)C1 ZINC001242365587 1102079144 /nfs/dbraw/zinc/07/91/44/1102079144.db2.gz FZGDJSFYCPHUBR-AWEZNQCLSA-N 2 2 302.805 3.246 20 0 DGADLP c1cn(Cc2ccc(C3=CC[C@H]([NH+]4CCCC4)CC3)nc2)c[nH+]1 ZINC001242688982 1102286295 /nfs/dbraw/zinc/28/62/95/1102286295.db2.gz HCPVMHBWIBUSLL-SFHVURJKSA-N 2 2 308.429 3.358 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(OC3CC3)c2)C1 ZINC001242806825 1102356632 /nfs/dbraw/zinc/35/66/32/1102356632.db2.gz UURAXMJGMAMUBQ-QGZVFWFLSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(OC3CC3)c2)C1 ZINC001242806825 1102356636 /nfs/dbraw/zinc/35/66/36/1102356636.db2.gz UURAXMJGMAMUBQ-QGZVFWFLSA-N 2 2 308.425 3.428 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Br ZINC001205902266 1102436622 /nfs/dbraw/zinc/43/66/22/1102436622.db2.gz JJWBCZFBKUWZPL-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Br ZINC001205902266 1102436626 /nfs/dbraw/zinc/43/66/26/1102436626.db2.gz JJWBCZFBKUWZPL-MNOVXSKESA-N 2 2 315.230 3.147 20 0 DGADLP Cn1c2ccccc2nc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001200922021 1102436868 /nfs/dbraw/zinc/43/68/68/1102436868.db2.gz KQIQOCSSBOPRNV-UHFFFAOYSA-N 2 2 312.461 3.070 20 0 DGADLP CSc1ncc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC001243158436 1102562530 /nfs/dbraw/zinc/56/25/30/1102562530.db2.gz OJRSUDHAOCUMES-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC001243158436 1102562539 /nfs/dbraw/zinc/56/25/39/1102562539.db2.gz OJRSUDHAOCUMES-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417792 1102584191 /nfs/dbraw/zinc/58/41/91/1102584191.db2.gz WWFRSWWVUFPGPX-BBWFWOEESA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417792 1102584201 /nfs/dbraw/zinc/58/42/01/1102584201.db2.gz WWFRSWWVUFPGPX-BBWFWOEESA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417792 1102584210 /nfs/dbraw/zinc/58/42/10/1102584210.db2.gz WWFRSWWVUFPGPX-BBWFWOEESA-N 2 2 317.502 3.396 20 0 DGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CC=CCC4)CC[C@@H]32)n1 ZINC001201417792 1102584212 /nfs/dbraw/zinc/58/42/12/1102584212.db2.gz WWFRSWWVUFPGPX-BBWFWOEESA-N 2 2 317.502 3.396 20 0 DGADLP COc1c(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001243225838 1102602434 /nfs/dbraw/zinc/60/24/34/1102602434.db2.gz RSRLXAWZMVMQTR-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001243225838 1102602441 /nfs/dbraw/zinc/60/24/41/1102602441.db2.gz RSRLXAWZMVMQTR-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP Cn1c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc2ccccc21 ZINC001243355037 1102679047 /nfs/dbraw/zinc/67/90/47/1102679047.db2.gz YUFPIHRQAGGOME-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc2ccccc21 ZINC001243355037 1102679051 /nfs/dbraw/zinc/67/90/51/1102679051.db2.gz YUFPIHRQAGGOME-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP c1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001201654704 1102687432 /nfs/dbraw/zinc/68/74/32/1102687432.db2.gz IOXSCWAGPZDSHX-SFTDATJTSA-N 2 2 321.468 3.078 20 0 DGADLP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1Cl ZINC001243374802 1102692222 /nfs/dbraw/zinc/69/22/22/1102692222.db2.gz LJORTUDUNPWPNT-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1Cl ZINC001243374802 1102692225 /nfs/dbraw/zinc/69/22/25/1102692225.db2.gz LJORTUDUNPWPNT-OAHLLOKOSA-N 2 2 301.821 3.122 20 0 DGADLP CCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201750450 1102715688 /nfs/dbraw/zinc/71/56/88/1102715688.db2.gz LLLJBTLPCJSHEO-RTBURBONSA-N 2 2 301.478 3.416 20 0 DGADLP CCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201750450 1102715697 /nfs/dbraw/zinc/71/56/97/1102715697.db2.gz LLLJBTLPCJSHEO-RTBURBONSA-N 2 2 301.478 3.416 20 0 DGADLP CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201750450 1102715708 /nfs/dbraw/zinc/71/57/08/1102715708.db2.gz LLLJBTLPCJSHEO-RTBURBONSA-N 2 2 301.478 3.416 20 0 DGADLP CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201750450 1102715718 /nfs/dbraw/zinc/71/57/18/1102715718.db2.gz LLLJBTLPCJSHEO-RTBURBONSA-N 2 2 301.478 3.416 20 0 DGADLP CCOc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243535875 1102787638 /nfs/dbraw/zinc/78/76/38/1102787638.db2.gz ICPALMGTBOLODR-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001243535875 1102787647 /nfs/dbraw/zinc/78/76/47/1102787647.db2.gz ICPALMGTBOLODR-MRXNPFEDSA-N 2 2 314.404 3.424 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccnc(OCC3CC3)c2)C1 ZINC001243924964 1103057052 /nfs/dbraw/zinc/05/70/52/1103057052.db2.gz WEIBXOZMXXQIFM-GOSISDBHSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnc(OCC3CC3)c2)C1 ZINC001243924964 1103057067 /nfs/dbraw/zinc/05/70/67/1103057067.db2.gz WEIBXOZMXXQIFM-GOSISDBHSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCCC4=O)cc2)C1 ZINC001243992839 1103113368 /nfs/dbraw/zinc/11/33/68/1103113368.db2.gz SSVANWMCHHQLNH-IBGZPJMESA-N 2 2 320.436 3.406 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCCC4=O)cc2)C1 ZINC001243992839 1103113372 /nfs/dbraw/zinc/11/33/72/1103113372.db2.gz SSVANWMCHHQLNH-IBGZPJMESA-N 2 2 320.436 3.406 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001325876545 1103144700 /nfs/dbraw/zinc/14/47/00/1103144700.db2.gz BFCOUOPKIRSWNA-OLZOCXBDSA-N 2 2 302.353 3.043 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001326075427 1103202080 /nfs/dbraw/zinc/20/20/80/1103202080.db2.gz NYZPLUGZJRUJPZ-CYBMUJFWSA-N 2 2 307.869 3.170 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244145507 1103234089 /nfs/dbraw/zinc/23/40/89/1103234089.db2.gz WKCDPXFEKRDRIQ-LJQANCHMSA-N 2 2 307.441 3.467 20 0 DGADLP Cc1ncc(C2CC2)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244145507 1103234101 /nfs/dbraw/zinc/23/41/01/1103234101.db2.gz WKCDPXFEKRDRIQ-LJQANCHMSA-N 2 2 307.441 3.467 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001326343720 1103282574 /nfs/dbraw/zinc/28/25/74/1103282574.db2.gz OPGQLHUKOHVCIV-GOSISDBHSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001326343720 1103282586 /nfs/dbraw/zinc/28/25/86/1103282586.db2.gz OPGQLHUKOHVCIV-GOSISDBHSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001326343720 1103282595 /nfs/dbraw/zinc/28/25/95/1103282595.db2.gz OPGQLHUKOHVCIV-GOSISDBHSA-N 2 2 321.896 3.324 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001326343720 1103282602 /nfs/dbraw/zinc/28/26/02/1103282602.db2.gz OPGQLHUKOHVCIV-GOSISDBHSA-N 2 2 321.896 3.324 20 0 DGADLP Cc1nn(C)c2cc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)ccc12 ZINC001244232201 1103296797 /nfs/dbraw/zinc/29/67/97/1103296797.db2.gz FRHZBUHJIMBCLN-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2cc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)ccc12 ZINC001244232201 1103296807 /nfs/dbraw/zinc/29/68/07/1103296807.db2.gz FRHZBUHJIMBCLN-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4cc[nH]c(=O)c4c3)c2)C1 ZINC001244312246 1103350436 /nfs/dbraw/zinc/35/04/36/1103350436.db2.gz KALYUMRWEYIHQJ-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4cc[nH]c(=O)c4c3)c2)C1 ZINC001244312246 1103350449 /nfs/dbraw/zinc/35/04/49/1103350449.db2.gz KALYUMRWEYIHQJ-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(-c4ccccc4)on3)(C1)CCC2 ZINC001276317383 1103486484 /nfs/dbraw/zinc/48/64/84/1103486484.db2.gz YDIHPXCWITYABU-RBUKOAKNSA-N 2 2 311.429 3.496 20 0 DGADLP COc1c(C)ccc(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244528132 1103499573 /nfs/dbraw/zinc/49/95/73/1103499573.db2.gz UPSJCJOHPPHKCC-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1c(C)ccc(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244528132 1103499578 /nfs/dbraw/zinc/49/95/78/1103499578.db2.gz UPSJCJOHPPHKCC-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1ccc(C)c(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244569291 1103529682 /nfs/dbraw/zinc/52/96/82/1103529682.db2.gz SUEGGHPURYFEFN-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP COc1ccc(C)c(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244569291 1103529692 /nfs/dbraw/zinc/52/96/92/1103529692.db2.gz SUEGGHPURYFEFN-INIZCTEOSA-N 2 2 314.404 3.343 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3[nH]cnc3c2)CC1 ZINC001137050263 1103764697 /nfs/dbraw/zinc/76/46/97/1103764697.db2.gz XUAZOAZWZLXDSJ-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3[nH]cnc3c2)CC1 ZINC001137050263 1103764708 /nfs/dbraw/zinc/76/47/08/1103764708.db2.gz XUAZOAZWZLXDSJ-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc3nc[nH]c3c2)CC1 ZINC001137050263 1103764716 /nfs/dbraw/zinc/76/47/16/1103764716.db2.gz XUAZOAZWZLXDSJ-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc3nc[nH]c3c2)CC1 ZINC001137050263 1103764730 /nfs/dbraw/zinc/76/47/30/1103764730.db2.gz XUAZOAZWZLXDSJ-UHFFFAOYSA-N 2 2 300.450 3.259 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001206564456 1103811097 /nfs/dbraw/zinc/81/10/97/1103811097.db2.gz OBEUAZRAZYJVRH-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001206564456 1103811120 /nfs/dbraw/zinc/81/11/20/1103811120.db2.gz OBEUAZRAZYJVRH-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP Nc1[nH+]ccn1-c1cccc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001245201001 1103906866 /nfs/dbraw/zinc/90/68/66/1103906866.db2.gz MXMUJVUYRPIMMW-UHFFFAOYSA-N 2 2 315.380 3.366 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001328400150 1103931973 /nfs/dbraw/zinc/93/19/73/1103931973.db2.gz CNQLRIAXQLTHFF-PBWFPOADSA-N 2 2 307.869 3.121 20 0 DGADLP CN(C)c1cccc(Cl)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001328400150 1103931983 /nfs/dbraw/zinc/93/19/83/1103931983.db2.gz CNQLRIAXQLTHFF-PBWFPOADSA-N 2 2 307.869 3.121 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354480 1104002481 /nfs/dbraw/zinc/00/24/81/1104002481.db2.gz HLTJLQZVZPBWJK-NHCUHLMSSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)c2)C1 ZINC001245354480 1104002490 /nfs/dbraw/zinc/00/24/90/1104002490.db2.gz HLTJLQZVZPBWJK-NHCUHLMSSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358640 1104004366 /nfs/dbraw/zinc/00/43/66/1104004366.db2.gz XOJLAUYEZZOJMW-LEWJYISDSA-N 3 2 321.468 3.311 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2)C1 ZINC001245358640 1104004374 /nfs/dbraw/zinc/00/43/74/1104004374.db2.gz XOJLAUYEZZOJMW-LEWJYISDSA-N 3 2 321.468 3.311 20 0 DGADLP C[C@H]1CCc2nc(C[NH2+]Cc3ccc(C[NH3+])cc3F)sc2C1 ZINC001328642615 1104008325 /nfs/dbraw/zinc/00/83/25/1104008325.db2.gz IVLCSGLAPMLZTG-NSHDSACASA-N 2 2 319.449 3.156 20 0 DGADLP c1cn(-c2ccc(C3=CC[C@H]([NH+]4CCOCC4)CC3)cc2)c[nH+]1 ZINC001245422531 1104043576 /nfs/dbraw/zinc/04/35/76/1104043576.db2.gz DDOSQFGREDVIAO-SFHVURJKSA-N 2 2 309.413 3.140 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(C2=CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001245424488 1104044910 /nfs/dbraw/zinc/04/49/10/1104044910.db2.gz DVHXDIBSCGYJHG-IBGZPJMESA-N 2 2 323.440 3.355 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)cn1 ZINC001329113076 1104158970 /nfs/dbraw/zinc/15/89/70/1104158970.db2.gz ITVOQAITLIVFMV-PMACEKPBSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)cn1 ZINC001329113076 1104158972 /nfs/dbraw/zinc/15/89/72/1104158972.db2.gz ITVOQAITLIVFMV-PMACEKPBSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)cn1 ZINC001329113078 1104159431 /nfs/dbraw/zinc/15/94/31/1104159431.db2.gz ITVOQAITLIVFMV-VQTJNVASSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cn1 ZINC001329113078 1104159434 /nfs/dbraw/zinc/15/94/34/1104159434.db2.gz ITVOQAITLIVFMV-VQTJNVASSA-N 2 2 324.472 3.194 20 0 DGADLP CCc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1OC ZINC001245791799 1104239128 /nfs/dbraw/zinc/23/91/28/1104239128.db2.gz OPWJFZKEYLIKMP-UHFFFAOYSA-N 2 2 307.397 3.259 20 0 DGADLP CCc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1OC ZINC001245793665 1104240740 /nfs/dbraw/zinc/24/07/40/1104240740.db2.gz WXNZUEHROCCLQY-IBGZPJMESA-N 2 2 310.441 3.458 20 0 DGADLP CCc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1OC ZINC001245793665 1104240751 /nfs/dbraw/zinc/24/07/51/1104240751.db2.gz WXNZUEHROCCLQY-IBGZPJMESA-N 2 2 310.441 3.458 20 0 DGADLP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504258 1104290337 /nfs/dbraw/zinc/29/03/37/1104290337.db2.gz ZKIXPMRYXFVRJN-SWLSCSKDSA-N 2 2 305.466 3.103 20 0 DGADLP CC[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001329504258 1104290343 /nfs/dbraw/zinc/29/03/43/1104290343.db2.gz ZKIXPMRYXFVRJN-SWLSCSKDSA-N 2 2 305.466 3.103 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001245909054 1104301962 /nfs/dbraw/zinc/30/19/62/1104301962.db2.gz GANVWDCPNXDIDS-IBGZPJMESA-N 3 2 309.457 3.080 20 0 DGADLP CC(C)([NH3+])c1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001245909054 1104301972 /nfs/dbraw/zinc/30/19/72/1104301972.db2.gz GANVWDCPNXDIDS-IBGZPJMESA-N 3 2 309.457 3.080 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CC[NH2+]1 ZINC001246074044 1104366312 /nfs/dbraw/zinc/36/63/12/1104366312.db2.gz ALUBKTFHJVVDJX-CHWSQXEVSA-N 2 2 315.230 3.208 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2OC)CC[NH2+]1 ZINC001246074982 1104370751 /nfs/dbraw/zinc/37/07/51/1104370751.db2.gz HRROATWDFJTZPC-GJZGRUSLSA-N 2 2 312.404 3.374 20 0 DGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246114492 1104391292 /nfs/dbraw/zinc/39/12/92/1104391292.db2.gz PEJNDSOZHOEYSZ-CJNGLKHVSA-N 2 2 314.445 3.378 20 0 DGADLP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001246144872 1104404718 /nfs/dbraw/zinc/40/47/18/1104404718.db2.gz VWZTWIREFBOWBL-YSGRDPCXSA-N 2 2 310.441 3.319 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246161914 1104412222 /nfs/dbraw/zinc/41/22/22/1104412222.db2.gz MCMGTYVMQHRTEY-NEPJUHHUSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)C[C@H](C)[NH2+]1 ZINC001246291259 1104475991 /nfs/dbraw/zinc/47/59/91/1104475991.db2.gz STSGDUHKOLOXJW-DDFAGTSDSA-N 2 2 315.230 3.207 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229269 1104448009 /nfs/dbraw/zinc/44/80/09/1104448009.db2.gz KRSBSQLXKXLATQ-WDEREUQCSA-N 2 2 304.331 3.465 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246234810 1104450918 /nfs/dbraw/zinc/45/09/18/1104450918.db2.gz MZXUFQONTFKWDE-ABAIWWIYSA-N 2 2 302.796 3.484 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(O)(c1ccccc1)c1ccccc1 ZINC001246253535 1104461063 /nfs/dbraw/zinc/46/10/63/1104461063.db2.gz ZFFFCYBUJIYJOO-HLIPFELVSA-N 2 2 324.468 3.041 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3OC(F)(F)F)C[NH2+]1 ZINC001246260282 1104463976 /nfs/dbraw/zinc/46/39/76/1104463976.db2.gz QXOXWZGSOSITFY-JTNHKYCSSA-N 2 2 314.351 3.303 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C[NH2+]1 ZINC001246264359 1104466177 /nfs/dbraw/zinc/46/61/77/1104466177.db2.gz KKOGOZPFVJWMLE-WDBKCZKBSA-N 2 2 309.251 3.167 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246278179 1104470963 /nfs/dbraw/zinc/47/09/63/1104470963.db2.gz FATDJCJTTDVXSO-MSOLQXFVSA-N 2 2 300.833 3.487 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC001246282128 1104472804 /nfs/dbraw/zinc/47/28/04/1104472804.db2.gz AQLBULNPMQTURJ-GFCCVEGCSA-N 2 2 315.230 3.208 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C[NH2+]1 ZINC001246285221 1104474170 /nfs/dbraw/zinc/47/41/70/1104474170.db2.gz GTJIFDKZKUPTSV-ZWNOBZJWSA-N 2 2 312.339 3.098 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2ccc(F)cc2Br)C[C@@H](C)[NH2+]1 ZINC001246291260 1104475972 /nfs/dbraw/zinc/47/59/72/1104475972.db2.gz STSGDUHKOLOXJW-NXEZZACHSA-N 2 2 315.230 3.207 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2Cl)CC[NH2+]1 ZINC001246323237 1104489747 /nfs/dbraw/zinc/48/97/47/1104489747.db2.gz DHJKAFMGMYCKGN-GXSJLCMTSA-N 2 2 317.658 3.333 20 0 DGADLP COc1ccccc1C1([NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC001246359971 1104507313 /nfs/dbraw/zinc/50/73/13/1104507313.db2.gz DFKIKMFDVSZNOQ-YOEHRIQHSA-N 2 2 302.462 3.441 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2Cl)CC[NH2+]1 ZINC001246396308 1104525685 /nfs/dbraw/zinc/52/56/85/1104525685.db2.gz OQNGPWWDFCMBCK-GRDNDAEWSA-N 2 2 310.869 3.274 20 0 DGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2Cc3cccc(Cl)c3C2)c1 ZINC001246513056 1104572352 /nfs/dbraw/zinc/57/23/52/1104572352.db2.gz UWBVLVUYWDEWFO-RDTXWAMCSA-N 2 2 316.832 3.105 20 0 DGADLP CCCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522407 1104576036 /nfs/dbraw/zinc/57/60/36/1104576036.db2.gz CNBGHQNYLLRWMQ-WMLDXEAASA-N 2 2 306.450 3.422 20 0 DGADLP CCCCC[C@H](CC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522466 1104576097 /nfs/dbraw/zinc/57/60/97/1104576097.db2.gz CTOYIIHEHHQWSP-DLBZAZTESA-N 2 2 306.450 3.422 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246527997 1104579694 /nfs/dbraw/zinc/57/96/94/1104579694.db2.gz NFOUYYJTGFGOJF-GGPKGHCWSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246527997 1104579701 /nfs/dbraw/zinc/57/97/01/1104579701.db2.gz NFOUYYJTGFGOJF-GGPKGHCWSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]([NH3+])CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246546653 1104587402 /nfs/dbraw/zinc/58/74/02/1104587402.db2.gz NCKWPCRCMPECAL-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246546653 1104587412 /nfs/dbraw/zinc/58/74/12/1104587412.db2.gz NCKWPCRCMPECAL-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246546653 1104587421 /nfs/dbraw/zinc/58/74/21/1104587421.db2.gz NCKWPCRCMPECAL-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246546653 1104587428 /nfs/dbraw/zinc/58/74/28/1104587428.db2.gz NCKWPCRCMPECAL-HNJRGHQBSA-N 3 2 315.505 3.241 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)n(C)n1 ZINC001275050346 1104594669 /nfs/dbraw/zinc/59/46/69/1104594669.db2.gz CUCZBCAUCNAVAW-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)n(C)n1 ZINC001275050346 1104594680 /nfs/dbraw/zinc/59/46/80/1104594680.db2.gz CUCZBCAUCNAVAW-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)n(C)n1 ZINC001275050346 1104594687 /nfs/dbraw/zinc/59/46/87/1104594687.db2.gz CUCZBCAUCNAVAW-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)n(C)n1 ZINC001275050346 1104594700 /nfs/dbraw/zinc/59/47/00/1104594700.db2.gz CUCZBCAUCNAVAW-IBGZPJMESA-N 2 2 318.509 3.063 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572689 1104601591 /nfs/dbraw/zinc/60/15/91/1104601591.db2.gz ASVSPUCHZRNJQQ-YOEHRIQHSA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246572689 1104601595 /nfs/dbraw/zinc/60/15/95/1104601595.db2.gz ASVSPUCHZRNJQQ-YOEHRIQHSA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001246575614 1104601751 /nfs/dbraw/zinc/60/17/51/1104601751.db2.gz INHLRMMATQHIIM-FGTMMUONSA-N 2 2 306.425 3.060 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001246575614 1104601756 /nfs/dbraw/zinc/60/17/56/1104601756.db2.gz INHLRMMATQHIIM-FGTMMUONSA-N 2 2 306.425 3.060 20 0 DGADLP CC(C)[N@H+]([C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589888 1104608454 /nfs/dbraw/zinc/60/84/54/1104608454.db2.gz GDVKZOLBTXMJQV-AQNXPRMDSA-N 3 2 315.505 3.332 20 0 DGADLP CC(C)[N@@H+]([C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246589888 1104608459 /nfs/dbraw/zinc/60/84/59/1104608459.db2.gz GDVKZOLBTXMJQV-AQNXPRMDSA-N 3 2 315.505 3.332 20 0 DGADLP CCC(CC)C[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275073970 1104608673 /nfs/dbraw/zinc/60/86/73/1104608673.db2.gz ZVBRDQJBRIYRFS-MOPGFXCFSA-N 3 2 318.509 3.344 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246599566 1104615875 /nfs/dbraw/zinc/61/58/75/1104615875.db2.gz DJWLRXLMYLFEFA-XJKSGUPXSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246599566 1104615880 /nfs/dbraw/zinc/61/58/80/1104615880.db2.gz DJWLRXLMYLFEFA-XJKSGUPXSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CNc4ccc(Cl)cc43)CC2)C[NH2+]1 ZINC001246608991 1104624765 /nfs/dbraw/zinc/62/47/65/1104624765.db2.gz YZWUAYIPLINKAO-HIFRSBDPSA-N 2 2 319.880 3.240 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246612812 1104627957 /nfs/dbraw/zinc/62/79/57/1104627957.db2.gz XEZFOZPLWZBEDP-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246612812 1104627964 /nfs/dbraw/zinc/62/79/64/1104627964.db2.gz XEZFOZPLWZBEDP-YJBOKZPZSA-N 2 2 306.400 3.040 20 0 DGADLP CCCCCC[NH+]1CCC2(C[NH+](Cc3nccn3CC)C2)CC1 ZINC001275126154 1104638048 /nfs/dbraw/zinc/63/80/48/1104638048.db2.gz GGQJTUBGHNRPKW-UHFFFAOYSA-N 2 2 318.509 3.381 20 0 DGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647048 1104645639 /nfs/dbraw/zinc/64/56/39/1104645639.db2.gz GNBNOTXYPPPEHS-WOJBJXKFSA-N 2 2 316.489 3.242 20 0 DGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647048 1104645645 /nfs/dbraw/zinc/64/56/45/1104645645.db2.gz GNBNOTXYPPPEHS-WOJBJXKFSA-N 2 2 316.489 3.242 20 0 DGADLP C[NH2+]CC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001246765387 1104667479 /nfs/dbraw/zinc/66/74/79/1104667479.db2.gz JNAGLELXNMHBRP-KNTRFNDTSA-N 3 2 315.505 3.095 20 0 DGADLP C[NH2+]CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001246765387 1104667484 /nfs/dbraw/zinc/66/74/84/1104667484.db2.gz JNAGLELXNMHBRP-KNTRFNDTSA-N 3 2 315.505 3.095 20 0 DGADLP C[NH2+]CC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001246765387 1104667488 /nfs/dbraw/zinc/66/74/88/1104667488.db2.gz JNAGLELXNMHBRP-KNTRFNDTSA-N 3 2 315.505 3.095 20 0 DGADLP C[NH2+]CC[C@H](C)[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001246765387 1104667492 /nfs/dbraw/zinc/66/74/92/1104667492.db2.gz JNAGLELXNMHBRP-KNTRFNDTSA-N 3 2 315.505 3.095 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798748 1104680467 /nfs/dbraw/zinc/68/04/67/1104680467.db2.gz RGIRVAJVOPNWHP-YDZRNGNQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798748 1104680474 /nfs/dbraw/zinc/68/04/74/1104680474.db2.gz RGIRVAJVOPNWHP-YDZRNGNQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1CC([N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246798346 1104680837 /nfs/dbraw/zinc/68/08/37/1104680837.db2.gz SFLRDUZSKBWGBL-INMHGKMJSA-N 2 2 324.509 3.492 20 0 DGADLP CC[C@@H]1CC([N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246798346 1104680839 /nfs/dbraw/zinc/68/08/39/1104680839.db2.gz SFLRDUZSKBWGBL-INMHGKMJSA-N 2 2 324.509 3.492 20 0 DGADLP Fc1ccc([C@H]2CSCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246821201 1104691901 /nfs/dbraw/zinc/69/19/01/1104691901.db2.gz IBTVCIKHPVOLHM-FCLJQHQZSA-N 2 2 306.450 3.199 20 0 DGADLP Fc1ccc([C@H]2CSCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246821201 1104691904 /nfs/dbraw/zinc/69/19/04/1104691904.db2.gz IBTVCIKHPVOLHM-FCLJQHQZSA-N 2 2 306.450 3.199 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)CCO2)cc1 ZINC001246839777 1104702208 /nfs/dbraw/zinc/70/22/08/1104702208.db2.gz LYYSESUEJHMSHR-GPMSIDNRSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+](C3C[C@@H](C)[NH2+][C@H](C)C3)CCO2)cc1 ZINC001246839777 1104702214 /nfs/dbraw/zinc/70/22/14/1104702214.db2.gz LYYSESUEJHMSHR-GPMSIDNRSA-N 2 2 302.462 3.071 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH+]2CC3(C2)CC(F)(F)CS3)CC[NH2+]1 ZINC001246857474 1104710246 /nfs/dbraw/zinc/71/02/46/1104710246.db2.gz ZSGUNUPMXCSTRC-OLZOCXBDSA-N 2 2 304.450 3.124 20 0 DGADLP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001246853776 1104708631 /nfs/dbraw/zinc/70/86/31/1104708631.db2.gz SVNCLWNRAAXPLC-LBPRGKRZSA-N 2 2 316.276 3.113 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911492 1104734569 /nfs/dbraw/zinc/73/45/69/1104734569.db2.gz BYWFKJQIVYAEBO-IPMKNSEASA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911492 1104734571 /nfs/dbraw/zinc/73/45/71/1104734571.db2.gz BYWFKJQIVYAEBO-IPMKNSEASA-N 2 2 316.489 3.097 20 0 DGADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246915391 1104735549 /nfs/dbraw/zinc/73/55/49/1104735549.db2.gz NGCKGCIWNUCOCN-BHIYHBOVSA-N 2 2 320.452 3.284 20 0 DGADLP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CCOC[C@@H]2C(C)C)CC[NH2+]1 ZINC001246915391 1104735555 /nfs/dbraw/zinc/73/55/55/1104735555.db2.gz NGCKGCIWNUCOCN-BHIYHBOVSA-N 2 2 320.452 3.284 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913824 1104735781 /nfs/dbraw/zinc/73/57/81/1104735781.db2.gz HCDXPXCAGPZNEM-QZTJIDSGSA-N 2 2 316.445 3.100 20 0 DGADLP CCCC[C@@H]1C[C@H]([N@H+]2Cc3ccc(C(=O)OC)cc3C2)CC[NH2+]1 ZINC001246913824 1104735784 /nfs/dbraw/zinc/73/57/84/1104735784.db2.gz HCDXPXCAGPZNEM-QZTJIDSGSA-N 2 2 316.445 3.100 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917041 1104736106 /nfs/dbraw/zinc/73/61/06/1104736106.db2.gz VGTGNOHRPZRKDQ-XUVXKRRUSA-N 2 2 316.489 3.241 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246917041 1104736110 /nfs/dbraw/zinc/73/61/10/1104736110.db2.gz VGTGNOHRPZRKDQ-XUVXKRRUSA-N 2 2 316.489 3.241 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939402 1104744242 /nfs/dbraw/zinc/74/42/42/1104744242.db2.gz VDEHVEMRDUGSRL-CEXWTWQISA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246939402 1104744248 /nfs/dbraw/zinc/74/42/48/1104744248.db2.gz VDEHVEMRDUGSRL-CEXWTWQISA-N 2 2 320.452 3.337 20 0 DGADLP CCOCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246937038 1104744808 /nfs/dbraw/zinc/74/48/08/1104744808.db2.gz OTTQUEDYAMMDFN-CRAIPNDOSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246937038 1104744812 /nfs/dbraw/zinc/74/48/12/1104744812.db2.gz OTTQUEDYAMMDFN-CRAIPNDOSA-N 2 2 308.441 3.195 20 0 DGADLP CCOc1ccc(NC2CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC001246948781 1104748766 /nfs/dbraw/zinc/74/87/66/1104748766.db2.gz LUMGBOTXDOYZJQ-MAUKXSAKSA-N 2 2 317.477 3.102 20 0 DGADLP CO[C@H]1CCC[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246951789 1104750039 /nfs/dbraw/zinc/75/00/39/1104750039.db2.gz FZXKNDOTNIGXGS-QRVBRYPASA-N 2 2 320.452 3.337 20 0 DGADLP CO[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246951789 1104750043 /nfs/dbraw/zinc/75/00/43/1104750043.db2.gz FZXKNDOTNIGXGS-QRVBRYPASA-N 2 2 320.452 3.337 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974977 1104757542 /nfs/dbraw/zinc/75/75/42/1104757542.db2.gz LMEWEFDGNGALRP-UXHICEINSA-N 3 2 313.489 3.086 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@@H+](C3CCC3)C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC001246974977 1104757548 /nfs/dbraw/zinc/75/75/48/1104757548.db2.gz LMEWEFDGNGALRP-UXHICEINSA-N 3 2 313.489 3.086 20 0 DGADLP COC(=O)CCCC[C@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975219 1104758123 /nfs/dbraw/zinc/75/81/23/1104758123.db2.gz BKBLUSKHJBDCCL-DOTOQJQBSA-N 2 2 310.482 3.105 20 0 DGADLP COC(=O)CCCC[C@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246975219 1104758132 /nfs/dbraw/zinc/75/81/32/1104758132.db2.gz BKBLUSKHJBDCCL-DOTOQJQBSA-N 2 2 310.482 3.105 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246993621 1104767996 /nfs/dbraw/zinc/76/79/96/1104767996.db2.gz OPDQNWAUFDJSGJ-QZTJIDSGSA-N 3 2 309.542 3.349 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246993621 1104768003 /nfs/dbraw/zinc/76/80/03/1104768003.db2.gz OPDQNWAUFDJSGJ-QZTJIDSGSA-N 3 2 309.542 3.349 20 0 DGADLP C[C@@H]1Cc2cc(Br)ccc2C[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246996387 1104768959 /nfs/dbraw/zinc/76/89/59/1104768959.db2.gz NXUQGYIPQFPPIJ-MLGOLLRUSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@@H]1Cc2cc(Br)ccc2C[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246996387 1104768965 /nfs/dbraw/zinc/76/89/65/1104768965.db2.gz NXUQGYIPQFPPIJ-MLGOLLRUSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001247004122 1104773077 /nfs/dbraw/zinc/77/30/77/1104773077.db2.gz PFKRNRYKCAEAFX-BLLLJJGKSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001247004122 1104773082 /nfs/dbraw/zinc/77/30/82/1104773082.db2.gz PFKRNRYKCAEAFX-BLLLJJGKSA-N 2 2 323.278 3.338 20 0 DGADLP c1ccc2ncc(CC3CC[NH+]([C@H]4CCC[NH2+]C4)CC3)cc2c1 ZINC001247008746 1104775662 /nfs/dbraw/zinc/77/56/62/1104775662.db2.gz YZYRETSPJHNUON-IBGZPJMESA-N 2 2 309.457 3.241 20 0 DGADLP c1cc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cc2c1C[NH2+]C2 ZINC001247015947 1104779827 /nfs/dbraw/zinc/77/98/27/1104779827.db2.gz WOCQPMBWQDGHRG-UHFFFAOYSA-N 2 2 304.397 3.433 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746127 1104891165 /nfs/dbraw/zinc/89/11/65/1104891165.db2.gz WGRNAGASAQJHHH-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746127 1104891171 /nfs/dbraw/zinc/89/11/71/1104891171.db2.gz WGRNAGASAQJHHH-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746127 1104891177 /nfs/dbraw/zinc/89/11/77/1104891177.db2.gz WGRNAGASAQJHHH-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001275746127 1104891185 /nfs/dbraw/zinc/89/11/85/1104891185.db2.gz WGRNAGASAQJHHH-SFHVURJKSA-N 2 2 304.482 3.015 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275792584 1104910094 /nfs/dbraw/zinc/91/00/94/1104910094.db2.gz RMPFPODDJIKALH-HXUWFJFHSA-N 2 2 324.472 3.005 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275792584 1104910098 /nfs/dbraw/zinc/91/00/98/1104910098.db2.gz RMPFPODDJIKALH-HXUWFJFHSA-N 2 2 324.472 3.005 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275792584 1104910101 /nfs/dbraw/zinc/91/01/01/1104910101.db2.gz RMPFPODDJIKALH-HXUWFJFHSA-N 2 2 324.472 3.005 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001275792584 1104910103 /nfs/dbraw/zinc/91/01/03/1104910103.db2.gz RMPFPODDJIKALH-HXUWFJFHSA-N 2 2 324.472 3.005 20 0 DGADLP CCCCCC[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275858942 1104935633 /nfs/dbraw/zinc/93/56/33/1104935633.db2.gz SLACCWLVDUTGPW-CQSZACIVSA-N 2 2 316.449 3.193 20 0 DGADLP CCCCCC[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275858942 1104935637 /nfs/dbraw/zinc/93/56/37/1104935637.db2.gz SLACCWLVDUTGPW-CQSZACIVSA-N 2 2 316.449 3.193 20 0 DGADLP CCCC[C@H]([NH2+]C)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247628344 1104942490 /nfs/dbraw/zinc/94/24/90/1104942490.db2.gz LOWLOEHPFXYZPX-AWEZNQCLSA-N 2 2 311.389 3.373 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2-n2cc[nH+]c2)no1)C1CC[NH2+]CC1 ZINC001247793625 1104984994 /nfs/dbraw/zinc/98/49/94/1104984994.db2.gz QTBONWAHAIRAEQ-CYBMUJFWSA-N 2 2 323.400 3.025 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276206529 1105047059 /nfs/dbraw/zinc/04/70/59/1105047059.db2.gz KYMHLCOVFPYZPE-QGZVFWFLSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276206529 1105047064 /nfs/dbraw/zinc/04/70/64/1105047064.db2.gz KYMHLCOVFPYZPE-QGZVFWFLSA-N 2 2 318.509 3.442 20 0 DGADLP C[C@H](c1nc(-c2ccccc2-n2cc[nH+]c2)no1)[NH+]1CCCC1 ZINC001248122005 1105049363 /nfs/dbraw/zinc/04/93/63/1105049363.db2.gz HWMOOJMJEBWCQE-CYBMUJFWSA-N 2 2 309.373 3.079 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235895 1105056986 /nfs/dbraw/zinc/05/69/86/1105056986.db2.gz QWXKNYPXYXCSES-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235895 1105056992 /nfs/dbraw/zinc/05/69/92/1105056992.db2.gz QWXKNYPXYXCSES-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235895 1105056998 /nfs/dbraw/zinc/05/69/98/1105056998.db2.gz QWXKNYPXYXCSES-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC001276235895 1105057003 /nfs/dbraw/zinc/05/70/03/1105057003.db2.gz QWXKNYPXYXCSES-OAHLLOKOSA-N 2 2 313.367 3.018 20 0 DGADLP Cc1cnccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276255626 1105064328 /nfs/dbraw/zinc/06/43/28/1105064328.db2.gz BHHSBRIKCJPVKL-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cnccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001276255626 1105064334 /nfs/dbraw/zinc/06/43/34/1105064334.db2.gz BHHSBRIKCJPVKL-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cnccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276255626 1105064341 /nfs/dbraw/zinc/06/43/41/1105064341.db2.gz BHHSBRIKCJPVKL-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1cnccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276255626 1105064349 /nfs/dbraw/zinc/06/43/49/1105064349.db2.gz BHHSBRIKCJPVKL-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248272254 1105083999 /nfs/dbraw/zinc/08/39/99/1105083999.db2.gz FLYDQURSMNVLMA-CQSZACIVSA-N 2 2 323.400 3.122 20 0 DGADLP CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001248272254 1105084006 /nfs/dbraw/zinc/08/40/06/1105084006.db2.gz FLYDQURSMNVLMA-CQSZACIVSA-N 2 2 323.400 3.122 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(SC)c(OC)c3)C[C@H]2C1 ZINC001249378596 1105277197 /nfs/dbraw/zinc/27/71/97/1105277197.db2.gz OJGQOSQETJDCEQ-HZPDHXFCSA-N 2 2 320.502 3.191 20 0 DGADLP CC(C)[N@H+](Cc1cc(F)cc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC001249959832 1105415499 /nfs/dbraw/zinc/41/54/99/1105415499.db2.gz PUWKSQOUFOLMIC-UHFFFAOYSA-N 2 2 307.457 3.196 20 0 DGADLP CC(C)[N@@H+](Cc1cc(F)cc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC001249959832 1105415502 /nfs/dbraw/zinc/41/55/02/1105415502.db2.gz PUWKSQOUFOLMIC-UHFFFAOYSA-N 2 2 307.457 3.196 20 0 DGADLP CCOc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)ccn1 ZINC001250019280 1105428385 /nfs/dbraw/zinc/42/83/85/1105428385.db2.gz OEKKTCYRERNUIY-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)ccn1 ZINC001250019280 1105428388 /nfs/dbraw/zinc/42/83/88/1105428388.db2.gz OEKKTCYRERNUIY-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1cc(F)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)c1 ZINC001250144181 1105453481 /nfs/dbraw/zinc/45/34/81/1105453481.db2.gz WUEDREFOWCMJDW-KGLIPLIRSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1cc(F)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)c1 ZINC001250144181 1105453485 /nfs/dbraw/zinc/45/34/85/1105453485.db2.gz WUEDREFOWCMJDW-KGLIPLIRSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1cc(F)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(F)c1 ZINC001250144181 1105453486 /nfs/dbraw/zinc/45/34/86/1105453486.db2.gz WUEDREFOWCMJDW-KGLIPLIRSA-N 2 2 324.415 3.136 20 0 DGADLP CC(C)Oc1cc(F)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(F)c1 ZINC001250144181 1105453490 /nfs/dbraw/zinc/45/34/90/1105453490.db2.gz WUEDREFOWCMJDW-KGLIPLIRSA-N 2 2 324.415 3.136 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3OCC)C[C@@H]2C1 ZINC001250186307 1105464006 /nfs/dbraw/zinc/46/40/06/1105464006.db2.gz GVXHOYGTFVWTHF-ROUUACIJSA-N 2 2 302.462 3.167 20 0 DGADLP COCC[N@H+](Cc1ccc(C)c(Cl)c1C)C1CC[NH+](C)CC1 ZINC001250196417 1105466960 /nfs/dbraw/zinc/46/69/60/1105466960.db2.gz IIFLURLKBXCGNR-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP COCC[N@@H+](Cc1ccc(C)c(Cl)c1C)C1CC[NH+](C)CC1 ZINC001250196417 1105466964 /nfs/dbraw/zinc/46/69/64/1105466964.db2.gz IIFLURLKBXCGNR-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccn1 ZINC001137410101 1105517049 /nfs/dbraw/zinc/51/70/49/1105517049.db2.gz UNSJJVDOLIOXPX-IRXDYDNUSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418196 1105519010 /nfs/dbraw/zinc/51/90/10/1105519010.db2.gz PLSINOVDJIDVLZ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418196 1105519017 /nfs/dbraw/zinc/51/90/17/1105519017.db2.gz PLSINOVDJIDVLZ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418196 1105519022 /nfs/dbraw/zinc/51/90/22/1105519022.db2.gz PLSINOVDJIDVLZ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418196 1105519027 /nfs/dbraw/zinc/51/90/27/1105519027.db2.gz PLSINOVDJIDVLZ-NHCUHLMSSA-N 2 2 321.468 3.344 20 0 DGADLP CCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001252119045 1105743222 /nfs/dbraw/zinc/74/32/22/1105743222.db2.gz REZDMXXWVSYERX-GOSISDBHSA-N 2 2 322.468 3.239 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001253206573 1105903880 /nfs/dbraw/zinc/90/38/80/1105903880.db2.gz QIIQFFPKRHOAQP-SWLSCSKDSA-N 2 2 318.383 3.059 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(c2ccccc2Cl)CC1 ZINC001253394423 1105933313 /nfs/dbraw/zinc/93/33/13/1105933313.db2.gz LCWSLVAZSQNIFR-OAHLLOKOSA-N 2 2 324.896 3.268 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447418 1106072195 /nfs/dbraw/zinc/07/21/95/1106072195.db2.gz GWGNIOAYQCGGMF-AEFFLSMTSA-N 2 2 314.408 3.344 20 0 DGADLP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)nc(C)[nH+]1 ZINC001254447418 1106072198 /nfs/dbraw/zinc/07/21/98/1106072198.db2.gz GWGNIOAYQCGGMF-AEFFLSMTSA-N 2 2 314.408 3.344 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001254511976 1106087635 /nfs/dbraw/zinc/08/76/35/1106087635.db2.gz HZEPDLSRATUDQI-OAHLLOKOSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001254511976 1106087643 /nfs/dbraw/zinc/08/76/43/1106087643.db2.gz HZEPDLSRATUDQI-OAHLLOKOSA-N 2 2 303.381 3.055 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@H]3CCC[N@@H+](C)CC3)CCO2)cc1 ZINC001254526153 1106092217 /nfs/dbraw/zinc/09/22/17/1106092217.db2.gz OSAGSZAVCOSWIP-RBUKOAKNSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@H]3CCC[N@H+](C)CC3)CCO2)cc1 ZINC001254526153 1106092223 /nfs/dbraw/zinc/09/22/23/1106092223.db2.gz OSAGSZAVCOSWIP-RBUKOAKNSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+]([C@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526153 1106092229 /nfs/dbraw/zinc/09/22/29/1106092229.db2.gz OSAGSZAVCOSWIP-RBUKOAKNSA-N 2 2 302.462 3.027 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+]([C@H]3CCC[NH+](C)CC3)CCO2)cc1 ZINC001254526153 1106092236 /nfs/dbraw/zinc/09/22/36/1106092236.db2.gz OSAGSZAVCOSWIP-RBUKOAKNSA-N 2 2 302.462 3.027 20 0 DGADLP C([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254841122 1106146632 /nfs/dbraw/zinc/14/66/32/1106146632.db2.gz STYFUNNZJLWDIJ-IBGZPJMESA-N 3 2 319.537 3.105 20 0 DGADLP CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254845635 1106148098 /nfs/dbraw/zinc/14/80/98/1106148098.db2.gz QJCIADSOIHHXOJ-OAQYLSRUSA-N 2 2 312.501 3.353 20 0 DGADLP COc1ccccc1CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254845971 1106148105 /nfs/dbraw/zinc/14/81/05/1106148105.db2.gz SSLXXSPDBWYLLB-SFHVURJKSA-N 2 2 314.473 3.234 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC001255080372 1106174416 /nfs/dbraw/zinc/17/44/16/1106174416.db2.gz JKAKTZKFVCKYOC-UHFFFAOYSA-N 2 2 320.502 3.145 20 0 DGADLP CCn1cnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255133027 1106186696 /nfs/dbraw/zinc/18/66/96/1106186696.db2.gz OLUZEJKATOLMLL-FNLKRUPLSA-N 2 2 324.472 3.188 20 0 DGADLP CCn1cnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255133027 1106186699 /nfs/dbraw/zinc/18/66/99/1106186699.db2.gz OLUZEJKATOLMLL-FNLKRUPLSA-N 2 2 324.472 3.188 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001255321051 1106221608 /nfs/dbraw/zinc/22/16/08/1106221608.db2.gz XCSQCTRWPJXOOM-UHOSZYNNSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001255321051 1106221610 /nfs/dbraw/zinc/22/16/10/1106221610.db2.gz XCSQCTRWPJXOOM-UHOSZYNNSA-N 2 2 304.478 3.444 20 0 DGADLP COC[C@H](C)[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001255558604 1106270273 /nfs/dbraw/zinc/27/02/73/1106270273.db2.gz PCXYAAHYMVQFTQ-KRWDZBQOSA-N 2 2 324.468 3.332 20 0 DGADLP C[N@H+](CCC(=O)c1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681068 1106294017 /nfs/dbraw/zinc/29/40/17/1106294017.db2.gz KXBMTJYEJFIMQR-JWTNVVGKSA-N 2 2 300.446 3.207 20 0 DGADLP C[N@@H+](CCC(=O)c1ccccc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681068 1106294023 /nfs/dbraw/zinc/29/40/23/1106294023.db2.gz KXBMTJYEJFIMQR-JWTNVVGKSA-N 2 2 300.446 3.207 20 0 DGADLP C[NH+](CCC(=O)c1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681068 1106294028 /nfs/dbraw/zinc/29/40/28/1106294028.db2.gz KXBMTJYEJFIMQR-JWTNVVGKSA-N 2 2 300.446 3.207 20 0 DGADLP C[NH+](CCC(=O)c1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681068 1106294033 /nfs/dbraw/zinc/29/40/33/1106294033.db2.gz KXBMTJYEJFIMQR-JWTNVVGKSA-N 2 2 300.446 3.207 20 0 DGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001255740705 1106306295 /nfs/dbraw/zinc/30/62/95/1106306295.db2.gz PKKQNWQQMQVHBD-ZDUSSCGKSA-N 2 2 306.406 3.370 20 0 DGADLP Cc1[nH+]cn([C@@H](C)Cc2ccccc2F)c1CSCC[NH3+] ZINC001255836123 1106323674 /nfs/dbraw/zinc/32/36/74/1106323674.db2.gz KZENSHWUIAUFAB-LBPRGKRZSA-N 2 2 307.438 3.326 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001255955574 1106349800 /nfs/dbraw/zinc/34/98/00/1106349800.db2.gz CEAFJSSKRHANKJ-GOSISDBHSA-N 2 2 303.494 3.237 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC001255955957 1106349905 /nfs/dbraw/zinc/34/99/05/1106349905.db2.gz XXFZIBDOAHRBSD-SFHVURJKSA-N 2 2 303.494 3.237 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001255960010 1106350313 /nfs/dbraw/zinc/35/03/13/1106350313.db2.gz CJACYLKZPWKQFH-RBUKOAKNSA-N 3 2 309.542 3.447 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001255960010 1106350317 /nfs/dbraw/zinc/35/03/17/1106350317.db2.gz CJACYLKZPWKQFH-RBUKOAKNSA-N 3 2 309.542 3.447 20 0 DGADLP COc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1OC ZINC001256198792 1106390134 /nfs/dbraw/zinc/39/01/34/1106390134.db2.gz VGWNMBGWNZUFMA-NSHDSACASA-N 2 2 312.841 3.102 20 0 DGADLP C[NH+]1CCC([N@H+](CCCCCCO)Cc2ccccc2)CC1 ZINC001256210046 1106391149 /nfs/dbraw/zinc/39/11/49/1106391149.db2.gz ZCZUXXSFYZGGCI-UHFFFAOYSA-N 2 2 304.478 3.136 20 0 DGADLP C[NH+]1CCC([N@@H+](CCCCCCO)Cc2ccccc2)CC1 ZINC001256210046 1106391153 /nfs/dbraw/zinc/39/11/53/1106391153.db2.gz ZCZUXXSFYZGGCI-UHFFFAOYSA-N 2 2 304.478 3.136 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001256213203 1106391770 /nfs/dbraw/zinc/39/17/70/1106391770.db2.gz QGXTWDNCNHKKTR-OLZOCXBDSA-N 2 2 313.283 3.310 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001256403239 1106416020 /nfs/dbraw/zinc/41/60/20/1106416020.db2.gz UMZYXXKYGSPIST-NQIIRXRSSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H](Cc1ccccn1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256404737 1106416089 /nfs/dbraw/zinc/41/60/89/1106416089.db2.gz HCVDLYKSVWHANC-JFIYKMOQSA-N 2 2 310.445 3.184 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256522166 1106433447 /nfs/dbraw/zinc/43/34/47/1106433447.db2.gz IBNMHRONHSRIND-WBVHZDCISA-N 2 2 302.462 3.244 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256522166 1106433450 /nfs/dbraw/zinc/43/34/50/1106433450.db2.gz IBNMHRONHSRIND-WBVHZDCISA-N 2 2 302.462 3.244 20 0 DGADLP CC(C)[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556760 1106444026 /nfs/dbraw/zinc/44/40/26/1106444026.db2.gz GMVFJLXEFUZLHD-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556760 1106444028 /nfs/dbraw/zinc/44/40/28/1106444028.db2.gz GMVFJLXEFUZLHD-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556760 1106444030 /nfs/dbraw/zinc/44/40/30/1106444030.db2.gz GMVFJLXEFUZLHD-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC001256556760 1106444031 /nfs/dbraw/zinc/44/40/31/1106444031.db2.gz GMVFJLXEFUZLHD-IHPCNDPISA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)Oc1ccnc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256566559 1106446555 /nfs/dbraw/zinc/44/65/55/1106446555.db2.gz VWRGVIMGFIGJST-UHFFFAOYSA-N 2 2 305.466 3.221 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(OC3CCC3)n2)CC1 ZINC001256566540 1106446978 /nfs/dbraw/zinc/44/69/78/1106446978.db2.gz VEMQALSTKCJHPA-UHFFFAOYSA-N 2 2 317.477 3.365 20 0 DGADLP FC1(F)CC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256603901 1106452991 /nfs/dbraw/zinc/45/29/91/1106452991.db2.gz KIFBLEKXZJPMLJ-UHFFFAOYSA-N 2 2 306.400 3.382 20 0 DGADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001256721864 1106473089 /nfs/dbraw/zinc/47/30/89/1106473089.db2.gz XOVJTYLYQCRPNM-FXAWDEMLSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H](Cc1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256748431 1106480045 /nfs/dbraw/zinc/48/00/45/1106480045.db2.gz MRNVFFXAFYYWTR-MRXNPFEDSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@H](Cc1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001256748431 1106480048 /nfs/dbraw/zinc/48/00/48/1106480048.db2.gz MRNVFFXAFYYWTR-MRXNPFEDSA-N 2 2 306.413 3.330 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001257212124 1106552739 /nfs/dbraw/zinc/55/27/39/1106552739.db2.gz UZNVEWLTVLJKPJ-UHFFFAOYSA-N 3 2 321.553 3.494 20 0 DGADLP CCCC[C@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257420044 1106585357 /nfs/dbraw/zinc/58/53/57/1106585357.db2.gz DETUUTLWRSFSRL-SCTDSRPQSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257420044 1106585360 /nfs/dbraw/zinc/58/53/60/1106585360.db2.gz DETUUTLWRSFSRL-SCTDSRPQSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257420044 1106585362 /nfs/dbraw/zinc/58/53/62/1106585362.db2.gz DETUUTLWRSFSRL-SCTDSRPQSA-N 2 2 301.478 3.414 20 0 DGADLP CCCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257420044 1106585365 /nfs/dbraw/zinc/58/53/65/1106585365.db2.gz DETUUTLWRSFSRL-SCTDSRPQSA-N 2 2 301.478 3.414 20 0 DGADLP CC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001257444495 1106591287 /nfs/dbraw/zinc/59/12/87/1106591287.db2.gz JXJRMSYTUAUBQQ-HNNXBMFYSA-N 2 2 313.445 3.463 20 0 DGADLP CC[C@H](C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001257444495 1106591289 /nfs/dbraw/zinc/59/12/89/1106591289.db2.gz JXJRMSYTUAUBQQ-HNNXBMFYSA-N 2 2 313.445 3.463 20 0 DGADLP CC[C@H](C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001257444495 1106591292 /nfs/dbraw/zinc/59/12/92/1106591292.db2.gz JXJRMSYTUAUBQQ-HNNXBMFYSA-N 2 2 313.445 3.463 20 0 DGADLP CC[C@H](C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001257444495 1106591297 /nfs/dbraw/zinc/59/12/97/1106591297.db2.gz JXJRMSYTUAUBQQ-HNNXBMFYSA-N 2 2 313.445 3.463 20 0 DGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458237 1106593913 /nfs/dbraw/zinc/59/39/13/1106593913.db2.gz YAPXPFFKKGLSCF-GOEBONIOSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458237 1106593915 /nfs/dbraw/zinc/59/39/15/1106593915.db2.gz YAPXPFFKKGLSCF-GOEBONIOSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458237 1106593917 /nfs/dbraw/zinc/59/39/17/1106593917.db2.gz YAPXPFFKKGLSCF-GOEBONIOSA-N 2 2 305.491 3.372 20 0 DGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C4CCCCC4)CC[C@H]32)n1 ZINC001257458237 1106593920 /nfs/dbraw/zinc/59/39/20/1106593920.db2.gz YAPXPFFKKGLSCF-GOEBONIOSA-N 2 2 305.491 3.372 20 0 DGADLP CCC[C@@H](C)CC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001257470900 1106594656 /nfs/dbraw/zinc/59/46/56/1106594656.db2.gz LUBNDMGZLVFYHF-UMGGQSCQSA-N 2 2 317.521 3.393 20 0 DGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCCSC2)cc1 ZINC001257661487 1106616257 /nfs/dbraw/zinc/61/62/57/1106616257.db2.gz JXYSFLOMZMGUGT-ROUUACIJSA-N 2 2 304.503 3.179 20 0 DGADLP CC[NH+]1CCC([N@H+](C)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257964005 1106651989 /nfs/dbraw/zinc/65/19/89/1106651989.db2.gz OCVUUIWIBHNJIK-MRXNPFEDSA-N 2 2 308.853 3.060 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257964005 1106651992 /nfs/dbraw/zinc/65/19/92/1106651992.db2.gz OCVUUIWIBHNJIK-MRXNPFEDSA-N 2 2 308.853 3.060 20 0 DGADLP Clc1ccc2c(c1)C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CO2 ZINC001257968448 1106652741 /nfs/dbraw/zinc/65/27/41/1106652741.db2.gz MADCGALLBGNHSQ-SWLSCSKDSA-N 2 2 317.820 3.180 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cccnc2C(F)(F)F)CC1 ZINC001258006412 1106656819 /nfs/dbraw/zinc/65/68/19/1106656819.db2.gz FXJFGZZXQHILRQ-UHFFFAOYSA-N 2 2 315.383 3.310 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(OC(C)C)ccn2)CC1 ZINC001258007989 1106657480 /nfs/dbraw/zinc/65/74/80/1106657480.db2.gz AJGKGMBFRMWZSN-UHFFFAOYSA-N 2 2 305.466 3.079 20 0 DGADLP Fc1cccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001258415993 1106736489 /nfs/dbraw/zinc/73/64/89/1106736489.db2.gz FZNJSLVGUCAZDU-KRWDZBQOSA-N 2 2 317.452 3.011 20 0 DGADLP Fc1cccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC2)c1 ZINC001258415993 1106736495 /nfs/dbraw/zinc/73/64/95/1106736495.db2.gz FZNJSLVGUCAZDU-KRWDZBQOSA-N 2 2 317.452 3.011 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CC2)cc1 ZINC001258506576 1106786173 /nfs/dbraw/zinc/78/61/73/1106786173.db2.gz AANQQUKQHJTTBM-IBGZPJMESA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CC2)cc1 ZINC001258506576 1106786184 /nfs/dbraw/zinc/78/61/84/1106786184.db2.gz AANQQUKQHJTTBM-IBGZPJMESA-N 2 2 313.489 3.119 20 0 DGADLP C[C@@H](Cc1cccnc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258619450 1106855429 /nfs/dbraw/zinc/85/54/29/1106855429.db2.gz PYZHOYZGHCSBDW-SZMVWBNQSA-N 2 2 310.445 3.184 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cc(F)cc32)CC1 ZINC001258770067 1106964781 /nfs/dbraw/zinc/96/47/81/1106964781.db2.gz CEEYDJICJYAXHB-MRXNPFEDSA-N 2 2 310.388 3.252 20 0 DGADLP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+][C@@H]3C[C@@H]4COC[C@H]34)C2)cc1 ZINC001474662959 1107255073 /nfs/dbraw/zinc/25/50/73/1107255073.db2.gz CQWIIZZIWHVNQX-YSTOQKLRSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+][C@@H]3C[C@@H]4COC[C@H]34)C2)cc1 ZINC001474662959 1107255077 /nfs/dbraw/zinc/25/50/77/1107255077.db2.gz CQWIIZZIWHVNQX-YSTOQKLRSA-N 2 2 314.473 3.056 20 0 DGADLP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317364910 1107269699 /nfs/dbraw/zinc/26/96/99/1107269699.db2.gz NDIBMKOMBYBCEE-IRXDYDNUSA-N 2 2 317.477 3.438 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(F)cc(F)c1 ZINC001321818547 1107440016 /nfs/dbraw/zinc/44/00/16/1107440016.db2.gz KDPJIXZNUWTYHD-UHFFFAOYSA-N 2 2 314.295 3.106 20 0 DGADLP FC1(F)[C@@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC001261603689 1107486085 /nfs/dbraw/zinc/48/60/85/1107486085.db2.gz VEWAVOXSLNXWIF-ZNMIVQPWSA-N 2 2 307.388 3.074 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC001262563116 1107724885 /nfs/dbraw/zinc/72/48/85/1107724885.db2.gz VQVBVRUKQJAEPR-HZPDHXFCSA-N 2 2 321.852 3.274 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC001323446382 1107978876 /nfs/dbraw/zinc/97/88/76/1107978876.db2.gz SZUFCMFTZNIHOF-LJQANCHMSA-N 2 2 323.440 3.114 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC001323446382 1107978881 /nfs/dbraw/zinc/97/88/81/1107978881.db2.gz SZUFCMFTZNIHOF-LJQANCHMSA-N 2 2 323.440 3.114 20 0 DGADLP Cc1cnc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001324823111 1108476692 /nfs/dbraw/zinc/47/66/92/1108476692.db2.gz QLQWQFRWYWLWJV-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1cnc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001324823111 1108476699 /nfs/dbraw/zinc/47/66/99/1108476699.db2.gz QLQWQFRWYWLWJV-CQSZACIVSA-N 2 2 302.447 3.231 20 0 DGADLP Cc1ccccc1OCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001325181012 1108589368 /nfs/dbraw/zinc/58/93/68/1108589368.db2.gz IXAJJWNKKPZJMQ-KRWDZBQOSA-N 2 2 313.445 3.062 20 0 DGADLP Cc1ccccc1OCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001325181012 1108589373 /nfs/dbraw/zinc/58/93/73/1108589373.db2.gz IXAJJWNKKPZJMQ-KRWDZBQOSA-N 2 2 313.445 3.062 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001319832923 1108656368 /nfs/dbraw/zinc/65/63/68/1108656368.db2.gz FNIPXUJZENNZBP-GTAWCEEGSA-N 2 2 315.505 3.284 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000389857710 1108662575 /nfs/dbraw/zinc/66/25/75/1108662575.db2.gz DPZTZXIXOOLUAD-KRWDZBQOSA-N 2 2 310.388 3.254 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000389857710 1108662580 /nfs/dbraw/zinc/66/25/80/1108662580.db2.gz DPZTZXIXOOLUAD-KRWDZBQOSA-N 2 2 310.388 3.254 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001319876714 1108675646 /nfs/dbraw/zinc/67/56/46/1108675646.db2.gz GKOYGCIWJCOQCF-KRWDZBQOSA-N 2 2 301.409 3.344 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001319876714 1108675650 /nfs/dbraw/zinc/67/56/50/1108675650.db2.gz GKOYGCIWJCOQCF-KRWDZBQOSA-N 2 2 301.409 3.344 20 0 DGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001282146052 1109457359 /nfs/dbraw/zinc/45/73/59/1109457359.db2.gz GWVCEIIGDLODAW-STQMWFEESA-N 2 2 316.449 3.096 20 0 DGADLP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCCC(C)(C)C ZINC001283676450 1109671740 /nfs/dbraw/zinc/67/17/40/1109671740.db2.gz AFQZWFVZVFGQHD-HOTGVXAUSA-N 2 2 322.497 3.097 20 0 DGADLP C[NH+](C)C1(C)CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC001308004099 1111365085 /nfs/dbraw/zinc/36/50/85/1111365085.db2.gz AVUKZBZCRNIWQM-UHFFFAOYSA-N 2 2 314.832 3.274 20 0 DGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001308163629 1111388426 /nfs/dbraw/zinc/38/84/26/1111388426.db2.gz LMDBIZSNEZOITJ-CQSZACIVSA-N 2 2 318.490 3.377 20 0 DGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001308163629 1111388429 /nfs/dbraw/zinc/38/84/29/1111388429.db2.gz LMDBIZSNEZOITJ-CQSZACIVSA-N 2 2 318.490 3.377 20 0 DGADLP C[C@H](C[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)C[NH+]1CCCCC1 ZINC001308216153 1111398938 /nfs/dbraw/zinc/39/89/38/1111398938.db2.gz MMOYGIAICOLQHB-LSDHHAIUSA-N 2 2 321.534 3.480 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C2 ZINC001308292778 1111412045 /nfs/dbraw/zinc/41/20/45/1111412045.db2.gz DYXWAUZUDARUOQ-RDJZCZTQSA-N 2 2 302.462 3.017 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C2 ZINC001308292778 1111412048 /nfs/dbraw/zinc/41/20/48/1111412048.db2.gz DYXWAUZUDARUOQ-RDJZCZTQSA-N 2 2 302.462 3.017 20 0 DGADLP C[C@H](O)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001308477824 1111432973 /nfs/dbraw/zinc/43/29/73/1111432973.db2.gz NJDVNFMYHWCPSU-SUMWQHHRSA-N 2 2 313.426 3.146 20 0 DGADLP Cc1cc(F)ncc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308502274 1111435646 /nfs/dbraw/zinc/43/56/46/1111435646.db2.gz YNKOEATUTHAPFU-QGZVFWFLSA-N 2 2 310.376 3.257 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1 ZINC001308552248 1111441988 /nfs/dbraw/zinc/44/19/88/1111441988.db2.gz IWENITFKZRUCRE-GOSISDBHSA-N 2 2 313.445 3.350 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000278264283 214054409 /nfs/dbraw/zinc/05/44/09/214054409.db2.gz ODHSEAXDFPDIRM-LLVKDONJSA-N 2 2 308.422 3.026 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000278312352 214083263 /nfs/dbraw/zinc/08/32/63/214083263.db2.gz XCFQJHYBJAZWDE-QGZVFWFLSA-N 2 2 321.428 3.306 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000278312352 214083267 /nfs/dbraw/zinc/08/32/67/214083267.db2.gz XCFQJHYBJAZWDE-QGZVFWFLSA-N 2 2 321.428 3.306 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000278312349 214083344 /nfs/dbraw/zinc/08/33/44/214083344.db2.gz XCFQJHYBJAZWDE-KRWDZBQOSA-N 2 2 321.428 3.306 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000278312349 214083345 /nfs/dbraw/zinc/08/33/45/214083345.db2.gz XCFQJHYBJAZWDE-KRWDZBQOSA-N 2 2 321.428 3.306 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000278514396 214205288 /nfs/dbraw/zinc/20/52/88/214205288.db2.gz MJJUNWOKPYBDHN-HKUYNNGSSA-N 2 2 319.493 3.259 20 0 DGADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccn1 ZINC000278514396 214205289 /nfs/dbraw/zinc/20/52/89/214205289.db2.gz MJJUNWOKPYBDHN-HKUYNNGSSA-N 2 2 319.493 3.259 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C[C@H]3CCCSC3)C2)cc1 ZINC000310004857 231111702 /nfs/dbraw/zinc/11/17/02/231111702.db2.gz UDWAKCKYVTUJFL-QZTJIDSGSA-N 2 2 304.503 3.384 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@H]3CCCSC3)C2)cc1 ZINC000310004857 231111705 /nfs/dbraw/zinc/11/17/05/231111705.db2.gz UDWAKCKYVTUJFL-QZTJIDSGSA-N 2 2 304.503 3.384 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423497245 529498678 /nfs/dbraw/zinc/49/86/78/529498678.db2.gz YNGOZGROSMBFNB-HUUCEWRRSA-N 2 2 316.445 3.333 20 0 DGADLP CCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(C)[nH+]1 ZINC000302044080 529534260 /nfs/dbraw/zinc/53/42/60/529534260.db2.gz JLMSLHDZKGUICE-JXMROGBWSA-N 2 2 322.456 3.183 20 0 DGADLP CCCC[C@H](COC)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667560 185308898 /nfs/dbraw/zinc/30/88/98/185308898.db2.gz UQZDRODXQZPXKQ-VQIMIIECSA-N 2 2 319.493 3.402 20 0 DGADLP c1cn(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c[nH+]1 ZINC000092648510 185331217 /nfs/dbraw/zinc/33/12/17/185331217.db2.gz VSGHJYIIPICNCW-UHFFFAOYSA-N 2 2 307.401 3.110 20 0 DGADLP CCc1ccc([C@H](C[NH2+]CC2(C)COC2)[NH+](CC)CC)cc1 ZINC000292531084 529723585 /nfs/dbraw/zinc/72/35/85/529723585.db2.gz FMZBKPBRGVPRIH-SFHVURJKSA-N 2 2 304.478 3.258 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCCO)CC1 ZINC000305757507 529748809 /nfs/dbraw/zinc/74/88/09/529748809.db2.gz FHYAFRMCCLGHEV-UHFFFAOYSA-N 2 2 301.434 3.008 20 0 DGADLP COCCC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000181591314 199324040 /nfs/dbraw/zinc/32/40/40/199324040.db2.gz FSSNNPCPEHVVOD-HZPDHXFCSA-N 2 2 305.466 3.012 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)n1C ZINC000315809084 529810431 /nfs/dbraw/zinc/81/04/31/529810431.db2.gz QXMANJTXVJQHFC-INIZCTEOSA-N 2 2 300.450 3.363 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199103 282298991 /nfs/dbraw/zinc/29/89/91/282298991.db2.gz KSBXMWIDOPKJCE-UONOGXRCSA-N 2 2 309.417 3.326 20 0 DGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1[nH+]c2cccc(F)c2n1C ZINC000443521223 529930434 /nfs/dbraw/zinc/93/04/34/529930434.db2.gz UVQHYGARJIROSV-ZDUSSCGKSA-N 2 2 304.413 3.023 20 0 DGADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1[nH+]c2cccc(F)c2n1C ZINC000443521223 529930435 /nfs/dbraw/zinc/93/04/35/529930435.db2.gz UVQHYGARJIROSV-ZDUSSCGKSA-N 2 2 304.413 3.023 20 0 DGADLP COc1nc(C)cc(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000286710501 219123312 /nfs/dbraw/zinc/12/33/12/219123312.db2.gz CTESGBBYDPSCAL-UHFFFAOYSA-N 2 2 305.466 3.012 20 0 DGADLP COc1nc(C)cc(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000286710501 219123316 /nfs/dbraw/zinc/12/33/16/219123316.db2.gz CTESGBBYDPSCAL-UHFFFAOYSA-N 2 2 305.466 3.012 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000415134645 529964595 /nfs/dbraw/zinc/96/45/95/529964595.db2.gz OZYOSFARPWGQII-UHFFFAOYSA-N 2 2 320.868 3.184 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000415134645 529964596 /nfs/dbraw/zinc/96/45/96/529964596.db2.gz OZYOSFARPWGQII-UHFFFAOYSA-N 2 2 320.868 3.184 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607915 529988622 /nfs/dbraw/zinc/98/86/22/529988622.db2.gz ZTHDBCAQDGBMPJ-CVEARBPZSA-N 2 2 317.477 3.068 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607915 529988623 /nfs/dbraw/zinc/98/86/23/529988623.db2.gz ZTHDBCAQDGBMPJ-CVEARBPZSA-N 2 2 317.477 3.068 20 0 DGADLP C[N@H+](Cc1csc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435447660 530018994 /nfs/dbraw/zinc/01/89/94/530018994.db2.gz QLJLLWNYCCPMBR-ZDUSSCGKSA-N 2 2 307.488 3.446 20 0 DGADLP C[N@@H+](Cc1csc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435447660 530018996 /nfs/dbraw/zinc/01/89/96/530018996.db2.gz QLJLLWNYCCPMBR-ZDUSSCGKSA-N 2 2 307.488 3.446 20 0 DGADLP C[N@H+](Cc1csc(Cc2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435615455 530019361 /nfs/dbraw/zinc/01/93/61/530019361.db2.gz HWYOWSHUMMQRCE-KRWDZBQOSA-N 2 2 315.486 3.308 20 0 DGADLP C[N@@H+](Cc1csc(Cc2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435615455 530019363 /nfs/dbraw/zinc/01/93/63/530019363.db2.gz HWYOWSHUMMQRCE-KRWDZBQOSA-N 2 2 315.486 3.308 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724357 530064747 /nfs/dbraw/zinc/06/47/47/530064747.db2.gz YNVORBVOQIUNAR-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724357 530064748 /nfs/dbraw/zinc/06/47/48/530064748.db2.gz YNVORBVOQIUNAR-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724357 530064749 /nfs/dbraw/zinc/06/47/49/530064749.db2.gz YNVORBVOQIUNAR-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000432724357 530064750 /nfs/dbraw/zinc/06/47/50/530064750.db2.gz YNVORBVOQIUNAR-SWLSCSKDSA-N 2 2 319.449 3.352 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800876 190783519 /nfs/dbraw/zinc/78/35/19/190783519.db2.gz DOIKXRKUXBJIOS-IAGOWNOFSA-N 2 2 309.885 3.017 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000068800876 190783521 /nfs/dbraw/zinc/78/35/21/190783521.db2.gz DOIKXRKUXBJIOS-IAGOWNOFSA-N 2 2 309.885 3.017 20 0 DGADLP COCC(C)(C)CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000286854903 219195411 /nfs/dbraw/zinc/19/54/11/219195411.db2.gz ARXDKXVZVFBLDS-UHFFFAOYSA-N 2 2 305.466 3.093 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccnc1 ZINC000272643108 210048024 /nfs/dbraw/zinc/04/80/24/210048024.db2.gz COVRSFTXYHNGLY-LBPRGKRZSA-N 2 2 301.356 3.149 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1nccn1-c1ccccc1 ZINC000287000866 219263706 /nfs/dbraw/zinc/26/37/06/219263706.db2.gz KCTPOFAQEAACNA-XLMAVXFVSA-N 2 2 312.461 3.252 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1nccn1-c1ccccc1 ZINC000287000866 219263708 /nfs/dbraw/zinc/26/37/08/219263708.db2.gz KCTPOFAQEAACNA-XLMAVXFVSA-N 2 2 312.461 3.252 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000279872069 215197464 /nfs/dbraw/zinc/19/74/64/215197464.db2.gz CEIDLXUUROFYBO-GFCCVEGCSA-N 2 2 301.261 3.419 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000279872069 215197465 /nfs/dbraw/zinc/19/74/65/215197465.db2.gz CEIDLXUUROFYBO-GFCCVEGCSA-N 2 2 301.261 3.419 20 0 DGADLP Cn1c[nH+]cc1CSCCCCSCc1c[nH+]cn1C ZINC000280020425 215317208 /nfs/dbraw/zinc/31/72/08/215317208.db2.gz UVZPIROYOCLWLA-UHFFFAOYSA-N 2 2 310.492 3.100 20 0 DGADLP CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152495215 186078987 /nfs/dbraw/zinc/07/89/87/186078987.db2.gz KFULICPYKMLZOE-CVEARBPZSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836609 186261300 /nfs/dbraw/zinc/26/13/00/186261300.db2.gz LFHRBJYNJYLGLJ-FUHWJXTLSA-N 2 2 314.429 3.221 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000191836609 186261302 /nfs/dbraw/zinc/26/13/02/186261302.db2.gz LFHRBJYNJYLGLJ-FUHWJXTLSA-N 2 2 314.429 3.221 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000268743240 186375085 /nfs/dbraw/zinc/37/50/85/186375085.db2.gz GTGLQBXILRKZHR-UPRAQXHNSA-N 2 2 300.446 3.219 20 0 DGADLP COc1ccc([C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000268743240 186375087 /nfs/dbraw/zinc/37/50/87/186375087.db2.gz GTGLQBXILRKZHR-UPRAQXHNSA-N 2 2 300.446 3.219 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268744352 186375289 /nfs/dbraw/zinc/37/52/89/186375289.db2.gz REFTYZCQLIMVBX-UYAOXDASSA-N 3 2 315.505 3.115 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744352 186375290 /nfs/dbraw/zinc/37/52/90/186375290.db2.gz REFTYZCQLIMVBX-UYAOXDASSA-N 3 2 315.505 3.115 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000172196883 198056499 /nfs/dbraw/zinc/05/64/99/198056499.db2.gz GDZBEGOEPNUNSI-ZDUSSCGKSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000172196883 198056500 /nfs/dbraw/zinc/05/65/00/198056500.db2.gz GDZBEGOEPNUNSI-ZDUSSCGKSA-N 2 2 303.837 3.272 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)c[nH+]1 ZINC000072718459 191220364 /nfs/dbraw/zinc/22/03/64/191220364.db2.gz UGTBCXGOJRCLAI-LJQANCHMSA-N 3 2 324.472 3.180 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)c[nH+]1 ZINC000072718459 191220368 /nfs/dbraw/zinc/22/03/68/191220368.db2.gz UGTBCXGOJRCLAI-LJQANCHMSA-N 3 2 324.472 3.180 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725170 191223356 /nfs/dbraw/zinc/22/33/56/191223356.db2.gz FCQBDDYHCCNDDI-SFHVURJKSA-N 3 2 312.461 3.179 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725170 191223359 /nfs/dbraw/zinc/22/33/59/191223359.db2.gz FCQBDDYHCCNDDI-SFHVURJKSA-N 3 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725170 191223360 /nfs/dbraw/zinc/22/33/60/191223360.db2.gz FCQBDDYHCCNDDI-SFHVURJKSA-N 3 2 312.461 3.179 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072725170 191223363 /nfs/dbraw/zinc/22/33/63/191223363.db2.gz FCQBDDYHCCNDDI-SFHVURJKSA-N 3 2 312.461 3.179 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965960 191258831 /nfs/dbraw/zinc/25/88/31/191258831.db2.gz KNEQWARSTZZKLW-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965960 191258833 /nfs/dbraw/zinc/25/88/33/191258833.db2.gz KNEQWARSTZZKLW-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965960 191258836 /nfs/dbraw/zinc/25/88/36/191258836.db2.gz KNEQWARSTZZKLW-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965960 191258840 /nfs/dbraw/zinc/25/88/40/191258840.db2.gz KNEQWARSTZZKLW-YOEHRIQHSA-N 2 2 305.466 3.378 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000173614203 198232392 /nfs/dbraw/zinc/23/23/92/198232392.db2.gz QQWDLMYBYNVMGD-ZDUSSCGKSA-N 2 2 323.868 3.129 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911457 198267767 /nfs/dbraw/zinc/26/77/67/198267767.db2.gz BWLYGWXNIDERGV-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911457 198267768 /nfs/dbraw/zinc/26/77/68/198267768.db2.gz BWLYGWXNIDERGV-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911457 198267770 /nfs/dbraw/zinc/26/77/70/198267770.db2.gz BWLYGWXNIDERGV-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000173911457 198267772 /nfs/dbraw/zinc/26/77/72/198267772.db2.gz BWLYGWXNIDERGV-AWEZNQCLSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173959884 198273514 /nfs/dbraw/zinc/27/35/14/198273514.db2.gz HNYLSQLDAMDDAW-MRXNPFEDSA-N 2 2 312.461 3.244 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173959884 198273516 /nfs/dbraw/zinc/27/35/16/198273516.db2.gz HNYLSQLDAMDDAW-MRXNPFEDSA-N 2 2 312.461 3.244 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173959884 198273517 /nfs/dbraw/zinc/27/35/17/198273517.db2.gz HNYLSQLDAMDDAW-MRXNPFEDSA-N 2 2 312.461 3.244 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173959884 198273519 /nfs/dbraw/zinc/27/35/19/198273519.db2.gz HNYLSQLDAMDDAW-MRXNPFEDSA-N 2 2 312.461 3.244 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCCO1 ZINC000174393904 198329498 /nfs/dbraw/zinc/32/94/98/198329498.db2.gz QYHXGJMAWNBDRB-SFHVURJKSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCCO1 ZINC000174393904 198329500 /nfs/dbraw/zinc/32/95/00/198329500.db2.gz QYHXGJMAWNBDRB-SFHVURJKSA-N 2 2 317.477 3.189 20 0 DGADLP COCc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000174413824 198331844 /nfs/dbraw/zinc/33/18/44/198331844.db2.gz LUGJCUOVOVQMRQ-UHFFFAOYSA-N 2 2 323.440 3.442 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000179075794 432039516 /nfs/dbraw/zinc/03/95/16/432039516.db2.gz QUIXQNAEKQEQNN-LLVKDONJSA-N 2 2 315.314 3.467 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131866544 432041002 /nfs/dbraw/zinc/04/10/02/432041002.db2.gz DLEAWZKVJAIMJQ-HNNXBMFYSA-N 2 2 318.804 3.267 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131866544 432041007 /nfs/dbraw/zinc/04/10/07/432041007.db2.gz DLEAWZKVJAIMJQ-HNNXBMFYSA-N 2 2 318.804 3.267 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000163760539 432041270 /nfs/dbraw/zinc/04/12/70/432041270.db2.gz IIPLJPQQUPMQCH-GFCCVEGCSA-N 2 2 304.331 3.418 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000163760539 432041275 /nfs/dbraw/zinc/04/12/75/432041275.db2.gz IIPLJPQQUPMQCH-GFCCVEGCSA-N 2 2 304.331 3.418 20 0 DGADLP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C2CC2)c1 ZINC000281825781 283039110 /nfs/dbraw/zinc/03/91/10/283039110.db2.gz ZXQHCHNGDWWMQI-ROUUACIJSA-N 2 2 303.425 3.278 20 0 DGADLP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C2CC2)c1 ZINC000281825781 283039111 /nfs/dbraw/zinc/03/91/11/283039111.db2.gz ZXQHCHNGDWWMQI-ROUUACIJSA-N 2 2 303.425 3.278 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)o2)cs1 ZINC000164421375 432048027 /nfs/dbraw/zinc/04/80/27/432048027.db2.gz ZTMUZTMHVFBSCH-SMDDNHRTSA-N 2 2 305.447 3.141 20 0 DGADLP Cc1nc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)o2)cs1 ZINC000164421375 432048029 /nfs/dbraw/zinc/04/80/29/432048029.db2.gz ZTMUZTMHVFBSCH-SMDDNHRTSA-N 2 2 305.447 3.141 20 0 DGADLP Cc1nc(C(C)(C)[NH2+]Cc2cccc3[nH+]ccn32)sc1C ZINC000179427366 432058011 /nfs/dbraw/zinc/05/80/11/432058011.db2.gz GBKABADGHXZIIV-UHFFFAOYSA-N 2 2 300.431 3.433 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000166371792 432059600 /nfs/dbraw/zinc/05/96/00/432059600.db2.gz LQFXQAKFGBGNHE-VKJFTORMSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000166371792 432059602 /nfs/dbraw/zinc/05/96/02/432059602.db2.gz LQFXQAKFGBGNHE-VKJFTORMSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166258178 432060124 /nfs/dbraw/zinc/06/01/24/432060124.db2.gz IAYFBTLYWLOJFL-MPGHIAIKSA-N 2 2 300.446 3.424 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166258178 432060126 /nfs/dbraw/zinc/06/01/26/432060126.db2.gz IAYFBTLYWLOJFL-MPGHIAIKSA-N 2 2 300.446 3.424 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CCC[NH3+])c1 ZINC000236948244 202088792 /nfs/dbraw/zinc/08/87/92/202088792.db2.gz KHRYCKWMEDLGIZ-UHFFFAOYSA-N 2 2 300.406 3.028 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c2ccncc21 ZINC000276942192 213190378 /nfs/dbraw/zinc/19/03/78/213190378.db2.gz AUMYTPOPMVYBSL-UHFFFAOYSA-N 2 2 309.417 3.305 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000133365381 432061812 /nfs/dbraw/zinc/06/18/12/432061812.db2.gz WSUBQJMOETYDIW-MDZLAQPJSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632509 432070238 /nfs/dbraw/zinc/07/02/38/432070238.db2.gz KZBOYYWGMYBXGQ-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000168632509 432070240 /nfs/dbraw/zinc/07/02/40/432070240.db2.gz KZBOYYWGMYBXGQ-DGCLKSJQSA-N 2 2 305.809 3.164 20 0 DGADLP c1coc([C@H](C[NH2+]Cc2cccc3[nH+]ccn32)N2CCCCC2)c1 ZINC000179414871 199031643 /nfs/dbraw/zinc/03/16/43/199031643.db2.gz WNLWQYHHAPITLO-KRWDZBQOSA-N 2 2 324.428 3.244 20 0 DGADLP c1coc([C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)N2CCCCC2)c1 ZINC000179414879 199032335 /nfs/dbraw/zinc/03/23/35/199032335.db2.gz WNLWQYHHAPITLO-QGZVFWFLSA-N 2 2 324.428 3.244 20 0 DGADLP CN(c1ccccc1)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179895929 199092280 /nfs/dbraw/zinc/09/22/80/199092280.db2.gz OEKLAFSYVRFCDT-UHFFFAOYSA-N 2 2 320.440 3.435 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC(C)C ZINC000237417691 202259631 /nfs/dbraw/zinc/25/96/31/202259631.db2.gz BVRUDERVMBBXHP-IRXDYDNUSA-N 2 2 318.461 3.199 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC(C)C ZINC000237417691 202259637 /nfs/dbraw/zinc/25/96/37/202259637.db2.gz BVRUDERVMBBXHP-IRXDYDNUSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)sc2C1 ZINC000415054359 237039223 /nfs/dbraw/zinc/03/92/23/237039223.db2.gz PTEZGFGIAROURO-IJEWVQPXSA-N 2 2 319.518 3.232 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)sc2C1 ZINC000415054359 237039234 /nfs/dbraw/zinc/03/92/34/237039234.db2.gz PTEZGFGIAROURO-IJEWVQPXSA-N 2 2 319.518 3.232 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415028321 237020700 /nfs/dbraw/zinc/02/07/00/237020700.db2.gz YOZIPNBOXVKXEY-AWEZNQCLSA-N 3 2 309.885 3.021 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415036682 237021468 /nfs/dbraw/zinc/02/14/68/237021468.db2.gz FZXIDELYLYAZEW-WFASDCNBSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415036682 237021474 /nfs/dbraw/zinc/02/14/74/237021474.db2.gz FZXIDELYLYAZEW-WFASDCNBSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415036681 237022293 /nfs/dbraw/zinc/02/22/93/237022293.db2.gz FZXIDELYLYAZEW-SWLSCSKDSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415036681 237022301 /nfs/dbraw/zinc/02/23/01/237022301.db2.gz FZXIDELYLYAZEW-SWLSCSKDSA-N 2 2 313.367 3.064 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415042959 237031277 /nfs/dbraw/zinc/03/12/77/237031277.db2.gz QZDWWDNEXJHWPV-INIZCTEOSA-N 2 2 318.852 3.064 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cc(F)ccc1Br)C1CCCC1 ZINC000415069999 237052730 /nfs/dbraw/zinc/05/27/30/237052730.db2.gz UBYSZULDOKJLSS-AWEZNQCLSA-N 2 2 315.230 3.195 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000415130649 237100062 /nfs/dbraw/zinc/10/00/62/237100062.db2.gz RDVUANYQGIISCQ-NEPJUHHUSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000415130649 237100072 /nfs/dbraw/zinc/10/00/72/237100072.db2.gz RDVUANYQGIISCQ-NEPJUHHUSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C[NH3+] ZINC000415123251 237093800 /nfs/dbraw/zinc/09/38/00/237093800.db2.gz JHMKUWWGKMUQKI-UKRRQHHQSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1C[NH3+] ZINC000415123251 237093804 /nfs/dbraw/zinc/09/38/04/237093804.db2.gz JHMKUWWGKMUQKI-UKRRQHHQSA-N 2 2 301.459 3.227 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423202766 293915260 /nfs/dbraw/zinc/91/52/60/293915260.db2.gz LFIYWAZPKOEXFW-CMPLNLGQSA-N 2 2 304.381 3.354 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1nccnc1C ZINC000187694867 200146096 /nfs/dbraw/zinc/14/60/96/200146096.db2.gz NXFWLRSVAMRAPE-CYBMUJFWSA-N 2 2 309.417 3.184 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000188101114 200194024 /nfs/dbraw/zinc/19/40/24/200194024.db2.gz PGNPZXBVYNTWLT-CVEARBPZSA-N 2 2 312.461 3.346 20 0 DGADLP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188101114 200194027 /nfs/dbraw/zinc/19/40/27/200194027.db2.gz PGNPZXBVYNTWLT-CVEARBPZSA-N 2 2 312.461 3.346 20 0 DGADLP C[C@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)C1CC[NH2+]CC1 ZINC000237585386 202293123 /nfs/dbraw/zinc/29/31/23/202293123.db2.gz ZWZDRHSHSJBIFR-CYBMUJFWSA-N 2 2 312.417 3.041 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCc4cccnc4CC3)c2)c[nH+]1 ZINC000421835006 237766869 /nfs/dbraw/zinc/76/68/69/237766869.db2.gz PHFKTPOQUAVZEX-GOSISDBHSA-N 2 2 318.424 3.305 20 0 DGADLP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422851042 237804007 /nfs/dbraw/zinc/80/40/07/237804007.db2.gz DWQOBVSZVVDXKL-WMZOPIPTSA-N 2 2 320.477 3.031 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000427879480 238004608 /nfs/dbraw/zinc/00/46/08/238004608.db2.gz YAMYARDFERUEPL-JSGCOSHPSA-N 2 2 317.458 3.279 20 0 DGADLP COCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000430216501 238071402 /nfs/dbraw/zinc/07/14/02/238071402.db2.gz IRGHSIVMXAUMOY-SJLPKXTDSA-N 2 2 304.478 3.159 20 0 DGADLP COCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000430216501 238071403 /nfs/dbraw/zinc/07/14/03/238071403.db2.gz IRGHSIVMXAUMOY-SJLPKXTDSA-N 2 2 304.478 3.159 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720098 238058716 /nfs/dbraw/zinc/05/87/16/238058716.db2.gz DOKTZIPYHDZMJH-HKUYNNGSSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720098 238058718 /nfs/dbraw/zinc/05/87/18/238058718.db2.gz DOKTZIPYHDZMJH-HKUYNNGSSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429720098 238058719 /nfs/dbraw/zinc/05/87/19/238058719.db2.gz DOKTZIPYHDZMJH-HKUYNNGSSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429720098 238058720 /nfs/dbraw/zinc/05/87/20/238058720.db2.gz DOKTZIPYHDZMJH-HKUYNNGSSA-N 2 2 302.462 3.152 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430549271 238079218 /nfs/dbraw/zinc/07/92/18/238079218.db2.gz NGHOVUKRAAGHBI-IHRRRGAJSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430549271 238079219 /nfs/dbraw/zinc/07/92/19/238079219.db2.gz NGHOVUKRAAGHBI-IHRRRGAJSA-N 2 2 323.868 3.035 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430577201 238080318 /nfs/dbraw/zinc/08/03/18/238080318.db2.gz YSQASNWTOXZTAF-CQSZACIVSA-N 2 2 306.429 3.001 20 0 DGADLP CCn1c2ccc(F)cc2nc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430577201 238080321 /nfs/dbraw/zinc/08/03/21/238080321.db2.gz YSQASNWTOXZTAF-CQSZACIVSA-N 2 2 306.429 3.001 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650343 238082348 /nfs/dbraw/zinc/08/23/48/238082348.db2.gz UTOLARVJVPPFRJ-LPHOPBHVSA-N 2 2 323.440 3.037 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430650343 238082349 /nfs/dbraw/zinc/08/23/49/238082349.db2.gz UTOLARVJVPPFRJ-LPHOPBHVSA-N 2 2 323.440 3.037 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430742727 238085418 /nfs/dbraw/zinc/08/54/18/238085418.db2.gz MXXAIJPMIIMCGV-HLLBOEOZSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430742727 238085419 /nfs/dbraw/zinc/08/54/19/238085419.db2.gz MXXAIJPMIIMCGV-HLLBOEOZSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430936304 238090597 /nfs/dbraw/zinc/09/05/97/238090597.db2.gz UABXZFMONIFZNR-ATZDWAIDSA-N 2 2 323.440 3.036 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430936304 238090598 /nfs/dbraw/zinc/09/05/98/238090598.db2.gz UABXZFMONIFZNR-ATZDWAIDSA-N 2 2 323.440 3.036 20 0 DGADLP C[C@H]1CCC[N@H+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434088785 238181129 /nfs/dbraw/zinc/18/11/29/238181129.db2.gz HXDKTGIRLVGWMB-INIZCTEOSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@H]1CCC[N@@H+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434088785 238181132 /nfs/dbraw/zinc/18/11/32/238181132.db2.gz HXDKTGIRLVGWMB-INIZCTEOSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@H]1CCC[N@H+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434088785 238181135 /nfs/dbraw/zinc/18/11/35/238181135.db2.gz HXDKTGIRLVGWMB-INIZCTEOSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@H]1CCC[N@@H+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434088785 238181137 /nfs/dbraw/zinc/18/11/37/238181137.db2.gz HXDKTGIRLVGWMB-INIZCTEOSA-N 2 2 317.481 3.001 20 0 DGADLP Fc1cncc([C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)c1 ZINC000281335658 216230224 /nfs/dbraw/zinc/23/02/24/216230224.db2.gz UGVUUGUTKCSPDC-GOSISDBHSA-N 2 2 310.376 3.152 20 0 DGADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccc(F)cc1F ZINC000434658329 238224688 /nfs/dbraw/zinc/22/46/88/238224688.db2.gz CLVOXWLCRZSIKV-UHFFFAOYSA-N 2 2 323.412 3.320 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191690689 200745274 /nfs/dbraw/zinc/74/52/74/200745274.db2.gz JJJWYXFSRDZCLZ-UHFFFAOYSA-N 2 2 311.676 3.205 20 0 DGADLP Fc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435395308 238300533 /nfs/dbraw/zinc/30/05/33/238300533.db2.gz SCDFUCIOKFVPHG-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435395308 238300536 /nfs/dbraw/zinc/30/05/36/238300536.db2.gz SCDFUCIOKFVPHG-IBGZPJMESA-N 2 2 313.420 3.365 20 0 DGADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC000192100746 200818475 /nfs/dbraw/zinc/81/84/75/200818475.db2.gz YRMDTCBUOIXEOE-CVEARBPZSA-N 2 2 323.799 3.186 20 0 DGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000435985317 238380295 /nfs/dbraw/zinc/38/02/95/238380295.db2.gz SESBGFIUUGPYRA-LSDHHAIUSA-N 2 2 320.481 3.123 20 0 DGADLP O[C@H](C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889772 209298987 /nfs/dbraw/zinc/29/89/87/209298987.db2.gz DOJUHHHDYBFILB-ZWKOTPCHSA-N 2 2 317.408 3.000 20 0 DGADLP O[C@H](C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271889772 209298991 /nfs/dbraw/zinc/29/89/91/209298991.db2.gz DOJUHHHDYBFILB-ZWKOTPCHSA-N 2 2 317.408 3.000 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000271877984 209288946 /nfs/dbraw/zinc/28/89/46/209288946.db2.gz OPVNJZUTXKTTCY-WFASDCNBSA-N 2 2 322.836 3.194 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000180698479 432096567 /nfs/dbraw/zinc/09/65/67/432096567.db2.gz RWLLCGMTNLWUCU-BMFAXAFESA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000180698479 432096568 /nfs/dbraw/zinc/09/65/68/432096568.db2.gz RWLLCGMTNLWUCU-BMFAXAFESA-N 2 2 301.478 3.460 20 0 DGADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000194540040 201245849 /nfs/dbraw/zinc/24/58/49/201245849.db2.gz FBHCJLTWJWHAKJ-IBGZPJMESA-N 2 2 315.461 3.322 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246134607 432098491 /nfs/dbraw/zinc/09/84/91/432098491.db2.gz JOTKAXPVZKQMPU-STQMWFEESA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246134607 432098493 /nfs/dbraw/zinc/09/84/93/432098493.db2.gz JOTKAXPVZKQMPU-STQMWFEESA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246134607 432098496 /nfs/dbraw/zinc/09/84/96/432098496.db2.gz JOTKAXPVZKQMPU-STQMWFEESA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246134607 432098501 /nfs/dbraw/zinc/09/85/01/432098501.db2.gz JOTKAXPVZKQMPU-STQMWFEESA-N 2 2 320.462 3.133 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442755030 239118087 /nfs/dbraw/zinc/11/80/87/239118087.db2.gz JGGVHQPJRPAGGA-ZIAGYGMSSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442755030 239118093 /nfs/dbraw/zinc/11/80/93/239118093.db2.gz JGGVHQPJRPAGGA-ZIAGYGMSSA-N 2 2 316.474 3.364 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766005 239119853 /nfs/dbraw/zinc/11/98/53/239119853.db2.gz VVSTUVPIVMOGBZ-NEPJUHHUSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766005 239119862 /nfs/dbraw/zinc/11/98/62/239119862.db2.gz VVSTUVPIVMOGBZ-NEPJUHHUSA-N 2 2 305.422 3.118 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275476458 212356913 /nfs/dbraw/zinc/35/69/13/212356913.db2.gz DIEBMSUVNSVDCE-SUMWQHHRSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275476458 212356916 /nfs/dbraw/zinc/35/69/16/212356916.db2.gz DIEBMSUVNSVDCE-SUMWQHHRSA-N 2 2 319.836 3.307 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)[NH+]2CCCC2)cc1 ZINC000449106419 240019532 /nfs/dbraw/zinc/01/95/32/240019532.db2.gz LYFSCCXQAOTMGO-DKKFBQAASA-N 2 2 302.462 3.287 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000449109492 240021280 /nfs/dbraw/zinc/02/12/80/240021280.db2.gz YTZXWOXQRZTIDX-AWEZNQCLSA-N 2 2 319.449 3.284 20 0 DGADLP Fc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000449109492 240021286 /nfs/dbraw/zinc/02/12/86/240021286.db2.gz YTZXWOXQRZTIDX-AWEZNQCLSA-N 2 2 319.449 3.284 20 0 DGADLP C[C@@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000449109910 240021897 /nfs/dbraw/zinc/02/18/97/240021897.db2.gz ZMFRASLMNCJLIP-KRWDZBQOSA-N 3 2 318.509 3.008 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000449138826 240034275 /nfs/dbraw/zinc/03/42/75/240034275.db2.gz JAWNJAYYETWSAG-LSDHHAIUSA-N 2 2 314.564 3.079 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000449078228 240006693 /nfs/dbraw/zinc/00/66/93/240006693.db2.gz XKMXGJHTCWKKOM-GOSISDBHSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1F ZINC000449168733 240048357 /nfs/dbraw/zinc/04/83/57/240048357.db2.gz DYTMOGDTIFNQPO-HNAYVOBHSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1F ZINC000449168733 240048362 /nfs/dbraw/zinc/04/83/62/240048362.db2.gz DYTMOGDTIFNQPO-HNAYVOBHSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189438 240057819 /nfs/dbraw/zinc/05/78/19/240057819.db2.gz HETYHDNLDHYYBE-RMZQHLLMSA-N 2 2 306.494 3.329 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449189438 240057829 /nfs/dbraw/zinc/05/78/29/240057829.db2.gz HETYHDNLDHYYBE-RMZQHLLMSA-N 2 2 306.494 3.329 20 0 DGADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccon2)CC1 ZINC000449234262 240082258 /nfs/dbraw/zinc/08/22/58/240082258.db2.gz BAAROKUKFFPREI-CVEARBPZSA-N 2 2 313.445 3.421 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000449247443 240090444 /nfs/dbraw/zinc/09/04/44/240090444.db2.gz GGEDRICQKDIUCV-CMTQZCSUSA-N 2 2 316.489 3.302 20 0 DGADLP COCC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000449247443 240090450 /nfs/dbraw/zinc/09/04/50/240090450.db2.gz GGEDRICQKDIUCV-CMTQZCSUSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000449256614 240095209 /nfs/dbraw/zinc/09/52/09/240095209.db2.gz JOXXFXPMTNNEOY-JLSDUUJJSA-N 2 2 304.503 3.238 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000449256614 240095215 /nfs/dbraw/zinc/09/52/15/240095215.db2.gz JOXXFXPMTNNEOY-JLSDUUJJSA-N 2 2 304.503 3.238 20 0 DGADLP COCC(C)(C)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352485 240152044 /nfs/dbraw/zinc/15/20/44/240152044.db2.gz WCYQESAKZWFGIA-UHFFFAOYSA-N 2 2 307.825 3.288 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000449400991 240175915 /nfs/dbraw/zinc/17/59/15/240175915.db2.gz KTOLZXIFPLWCOX-NEPJUHHUSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000449400991 240175921 /nfs/dbraw/zinc/17/59/21/240175921.db2.gz KTOLZXIFPLWCOX-NEPJUHHUSA-N 2 2 312.816 3.073 20 0 DGADLP CC(C)COc1ccccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000449325655 240132559 /nfs/dbraw/zinc/13/25/59/240132559.db2.gz OMOASTRBLLPJPX-QGZVFWFLSA-N 2 2 313.445 3.444 20 0 DGADLP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449500566 240248717 /nfs/dbraw/zinc/24/87/17/240248717.db2.gz VDECPGCTJIPOQQ-AWEZNQCLSA-N 2 2 309.404 3.071 20 0 DGADLP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449433952 240201772 /nfs/dbraw/zinc/20/17/72/240201772.db2.gz OMOQAOPNYOLDKX-SJORKVTESA-N 2 2 301.478 3.462 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@@H+]1C1CC1 ZINC000449485045 240235252 /nfs/dbraw/zinc/23/52/52/240235252.db2.gz KMMHPYNFVYMRNG-NEPJUHHUSA-N 2 2 312.816 3.073 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[N@H+]1C1CC1 ZINC000449485045 240235255 /nfs/dbraw/zinc/23/52/55/240235255.db2.gz KMMHPYNFVYMRNG-NEPJUHHUSA-N 2 2 312.816 3.073 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)C(C)C ZINC000449509427 240255508 /nfs/dbraw/zinc/25/55/08/240255508.db2.gz OOWQGMIPDMXMLJ-RBUKOAKNSA-N 2 2 315.461 3.251 20 0 DGADLP CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629490 240331747 /nfs/dbraw/zinc/33/17/47/240331747.db2.gz FWVKRFIODAKYII-QZTJIDSGSA-N 2 2 311.429 3.262 20 0 DGADLP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629490 240331751 /nfs/dbraw/zinc/33/17/51/240331751.db2.gz FWVKRFIODAKYII-QZTJIDSGSA-N 2 2 311.429 3.262 20 0 DGADLP Cc1c[nH+]c(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1C ZINC000449687448 240372338 /nfs/dbraw/zinc/37/23/38/240372338.db2.gz POEZFHVLSOGFHV-UHFFFAOYSA-N 2 2 306.498 3.061 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nc2ccc(Cl)cc2n1C ZINC000091261522 193027864 /nfs/dbraw/zinc/02/78/64/193027864.db2.gz WSCIKJGLGXNJHY-GFCCVEGCSA-N 2 2 322.884 3.465 20 0 DGADLP C[C@H](c1csnn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450611609 240787567 /nfs/dbraw/zinc/78/75/67/240787567.db2.gz PRRLMSSJCAKOFR-CQSZACIVSA-N 2 2 308.495 3.187 20 0 DGADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000092066996 193152494 /nfs/dbraw/zinc/15/24/94/193152494.db2.gz RWEKJQYHVXGXDZ-AEFFLSMTSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000092066996 193152496 /nfs/dbraw/zinc/15/24/96/193152496.db2.gz RWEKJQYHVXGXDZ-AEFFLSMTSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000092066996 193152498 /nfs/dbraw/zinc/15/24/98/193152498.db2.gz RWEKJQYHVXGXDZ-AEFFLSMTSA-N 2 2 316.493 3.087 20 0 DGADLP CC(C)(C)n1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000092066996 193152501 /nfs/dbraw/zinc/15/25/01/193152501.db2.gz RWEKJQYHVXGXDZ-AEFFLSMTSA-N 2 2 316.493 3.087 20 0 DGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451924309 241277776 /nfs/dbraw/zinc/27/77/76/241277776.db2.gz NXVXAMGLVUWVMB-UHFFFAOYSA-N 2 2 319.399 3.424 20 0 DGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3coc4ccccc34)CC2)CCO1 ZINC000092079075 193154508 /nfs/dbraw/zinc/15/45/08/193154508.db2.gz IVWYMQKCYJZOPP-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3coc4ccccc34)CC2)CCO1 ZINC000092079075 193154509 /nfs/dbraw/zinc/15/45/09/193154509.db2.gz IVWYMQKCYJZOPP-HNNXBMFYSA-N 2 2 314.429 3.118 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487076 242215021 /nfs/dbraw/zinc/21/50/21/242215021.db2.gz SHQGQXFKYRGAPB-DOMZBBRYSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000455487076 242215025 /nfs/dbraw/zinc/21/50/25/242215025.db2.gz SHQGQXFKYRGAPB-DOMZBBRYSA-N 2 2 318.465 3.249 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423367679 299374640 /nfs/dbraw/zinc/37/46/40/299374640.db2.gz DOBVCHVCOWGDLO-MISXGVKJSA-N 2 2 302.340 3.376 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000423367677 299374779 /nfs/dbraw/zinc/37/47/79/299374779.db2.gz DOBVCHVCOWGDLO-COPLHBTASA-N 2 2 302.340 3.376 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(C2CC2)nc1)[N@H+](C)Cc1ccccc1 ZINC000459426622 243365165 /nfs/dbraw/zinc/36/51/65/243365165.db2.gz NFSCMMQHOTWYLQ-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(C2CC2)nc1)[N@@H+](C)Cc1ccccc1 ZINC000459426622 243365169 /nfs/dbraw/zinc/36/51/69/243365169.db2.gz NFSCMMQHOTWYLQ-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181207437 432118791 /nfs/dbraw/zinc/11/87/91/432118791.db2.gz GVWOZYDQZUHTST-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181207437 432118794 /nfs/dbraw/zinc/11/87/94/432118794.db2.gz GVWOZYDQZUHTST-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000261732105 203104471 /nfs/dbraw/zinc/10/44/71/203104471.db2.gz FXFRTLFZVVCAMA-LBPRGKRZSA-N 2 2 312.417 3.159 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000469080588 244082435 /nfs/dbraw/zinc/08/24/35/244082435.db2.gz PZATWEPYTBJLMQ-GBESFXJTSA-N 3 2 309.542 3.207 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000469080588 244082440 /nfs/dbraw/zinc/08/24/40/244082440.db2.gz PZATWEPYTBJLMQ-GBESFXJTSA-N 3 2 309.542 3.207 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874478 296135504 /nfs/dbraw/zinc/13/55/04/296135504.db2.gz DASOZPGIIAUGDR-SQGPQFPESA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422874478 296135507 /nfs/dbraw/zinc/13/55/07/296135507.db2.gz DASOZPGIIAUGDR-SQGPQFPESA-N 3 2 315.505 3.291 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000470009577 244140821 /nfs/dbraw/zinc/14/08/21/244140821.db2.gz QAGXNACRJPCQPF-GFCCVEGCSA-N 2 2 318.795 3.373 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000470009577 244140825 /nfs/dbraw/zinc/14/08/25/244140825.db2.gz QAGXNACRJPCQPF-GFCCVEGCSA-N 2 2 318.795 3.373 20 0 DGADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000119037937 284132675 /nfs/dbraw/zinc/13/26/75/284132675.db2.gz MNUHNRVIACLYKX-GOSISDBHSA-N 2 2 315.505 3.365 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000475091628 244445533 /nfs/dbraw/zinc/44/55/33/244445533.db2.gz JYRWOCJNLQABJE-NVXWUHKLSA-N 2 2 320.477 3.165 20 0 DGADLP Cc1n[nH]cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318657 193232488 /nfs/dbraw/zinc/23/24/88/193232488.db2.gz LFZOMICZQTUDST-DNVCBOLYSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1n[nH]cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318657 193232490 /nfs/dbraw/zinc/23/24/90/193232490.db2.gz LFZOMICZQTUDST-DNVCBOLYSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318657 193232492 /nfs/dbraw/zinc/23/24/92/193232492.db2.gz LFZOMICZQTUDST-DNVCBOLYSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1n[nH]cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318657 193232493 /nfs/dbraw/zinc/23/24/93/193232493.db2.gz LFZOMICZQTUDST-DNVCBOLYSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336997 193233071 /nfs/dbraw/zinc/23/30/71/193233071.db2.gz SAQYHDLRAVFQRJ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336997 193233073 /nfs/dbraw/zinc/23/30/73/193233073.db2.gz SAQYHDLRAVFQRJ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336997 193233075 /nfs/dbraw/zinc/23/30/75/193233075.db2.gz SAQYHDLRAVFQRJ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336997 193233077 /nfs/dbraw/zinc/23/30/77/193233077.db2.gz SAQYHDLRAVFQRJ-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397056 193243069 /nfs/dbraw/zinc/24/30/69/193243069.db2.gz COSYDOVTXKAOFP-QWHCGFSZSA-N 2 2 305.491 3.157 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nc2c(s1)CCCC2 ZINC000093397056 193243071 /nfs/dbraw/zinc/24/30/71/193243071.db2.gz COSYDOVTXKAOFP-QWHCGFSZSA-N 2 2 305.491 3.157 20 0 DGADLP Cc1ccn2c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000093563831 193267825 /nfs/dbraw/zinc/26/78/25/193267825.db2.gz URWRBAXJJWDDDW-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccn2c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc2c1 ZINC000093563831 193267827 /nfs/dbraw/zinc/26/78/27/193267827.db2.gz URWRBAXJJWDDDW-KRWDZBQOSA-N 2 2 312.461 3.093 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770713 193303737 /nfs/dbraw/zinc/30/37/37/193303737.db2.gz AWOCZFZILXHOLD-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770713 193303739 /nfs/dbraw/zinc/30/37/39/193303739.db2.gz AWOCZFZILXHOLD-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770713 193303741 /nfs/dbraw/zinc/30/37/41/193303741.db2.gz AWOCZFZILXHOLD-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000093770713 193303742 /nfs/dbraw/zinc/30/37/42/193303742.db2.gz AWOCZFZILXHOLD-INIZCTEOSA-N 2 2 319.468 3.200 20 0 DGADLP CCC[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000093996584 193336942 /nfs/dbraw/zinc/33/69/42/193336942.db2.gz IWDZLHNXMMVSDF-CQSZACIVSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000093996584 193336944 /nfs/dbraw/zinc/33/69/44/193336944.db2.gz IWDZLHNXMMVSDF-CQSZACIVSA-N 2 2 315.230 3.162 20 0 DGADLP C[C@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000094341999 193362704 /nfs/dbraw/zinc/36/27/04/193362704.db2.gz YXXXKXZHOXFODU-FZMZJTMJSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000094341999 193362705 /nfs/dbraw/zinc/36/27/05/193362705.db2.gz YXXXKXZHOXFODU-FZMZJTMJSA-N 2 2 305.809 3.164 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486961038 245005803 /nfs/dbraw/zinc/00/58/03/245005803.db2.gz BFXJJDACCIGHSA-BFSLETRISA-N 2 2 307.441 3.349 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486961038 245005807 /nfs/dbraw/zinc/00/58/07/245005807.db2.gz BFXJJDACCIGHSA-BFSLETRISA-N 2 2 307.441 3.349 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000122331333 284217568 /nfs/dbraw/zinc/21/75/68/284217568.db2.gz MHXZRMMLDCLNMG-FZMZJTMJSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000122331333 284217569 /nfs/dbraw/zinc/21/75/69/284217569.db2.gz MHXZRMMLDCLNMG-FZMZJTMJSA-N 2 2 309.251 3.164 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000487337441 245052434 /nfs/dbraw/zinc/05/24/34/245052434.db2.gz UMSXEGUTXMRLIJ-KZJOSYIESA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000487337441 245052442 /nfs/dbraw/zinc/05/24/42/245052442.db2.gz UMSXEGUTXMRLIJ-KZJOSYIESA-N 2 2 307.441 3.347 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246365894 432122855 /nfs/dbraw/zinc/12/28/55/432122855.db2.gz IVURHDQTDYNWAM-KKUMJFAQSA-N 2 2 300.450 3.190 20 0 DGADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246365894 432122858 /nfs/dbraw/zinc/12/28/58/432122858.db2.gz IVURHDQTDYNWAM-KKUMJFAQSA-N 2 2 300.450 3.190 20 0 DGADLP Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000264675934 204071931 /nfs/dbraw/zinc/07/19/31/204071931.db2.gz VNEXEMWPCVAAEO-ZDUSSCGKSA-N 2 2 302.447 3.439 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125586238 284278819 /nfs/dbraw/zinc/27/88/19/284278819.db2.gz GYAWEDJDLRXJBR-IBGZPJMESA-N 2 2 320.440 3.351 20 0 DGADLP COc1ccccc1[C@H](CNc1cc[nH+]c(C)n1)[NH+]1CCCC1 ZINC000266156577 205144911 /nfs/dbraw/zinc/14/49/11/205144911.db2.gz VICHSQHOKFMWLA-INIZCTEOSA-N 2 2 312.417 3.043 20 0 DGADLP C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000266248153 205215799 /nfs/dbraw/zinc/21/57/99/205215799.db2.gz ZHGPJTWMTWGNMA-OAHLLOKOSA-N 2 2 321.428 3.059 20 0 DGADLP C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000266248153 205215803 /nfs/dbraw/zinc/21/58/03/205215803.db2.gz ZHGPJTWMTWGNMA-OAHLLOKOSA-N 2 2 321.428 3.059 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]C2Cc3ccccc3C2)c[nH+]1 ZINC000268776411 432130671 /nfs/dbraw/zinc/13/06/71/432130671.db2.gz RRYFQDQAHRYKDH-UHFFFAOYSA-N 2 2 303.409 3.188 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767695 246062353 /nfs/dbraw/zinc/06/23/53/246062353.db2.gz NLRJPZQRFOYSPH-BRSBDYLESA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493767695 246062354 /nfs/dbraw/zinc/06/23/54/246062354.db2.gz NLRJPZQRFOYSPH-BRSBDYLESA-N 2 2 306.494 3.188 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000021787795 182289032 /nfs/dbraw/zinc/28/90/32/182289032.db2.gz BWYUNZBTLHEOJT-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000021787795 182289034 /nfs/dbraw/zinc/28/90/34/182289034.db2.gz BWYUNZBTLHEOJT-ZDUSSCGKSA-N 2 2 302.340 3.159 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(OC(F)F)cc1C ZINC000494404255 246143010 /nfs/dbraw/zinc/14/30/10/246143010.db2.gz JVCQDIKXPMKYHG-CQSZACIVSA-N 2 2 321.371 3.206 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494572971 246164649 /nfs/dbraw/zinc/16/46/49/246164649.db2.gz CNFWJLJAEYPHDR-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1F ZINC000494996653 246221195 /nfs/dbraw/zinc/22/11/95/246221195.db2.gz MGBBNDWTKVCSSG-MRXNPFEDSA-N 2 2 308.441 3.388 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1F ZINC000494996653 246221197 /nfs/dbraw/zinc/22/11/97/246221197.db2.gz MGBBNDWTKVCSSG-MRXNPFEDSA-N 2 2 308.441 3.388 20 0 DGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)ccc2c1 ZINC000495126495 246237648 /nfs/dbraw/zinc/23/76/48/246237648.db2.gz HWHKKYDTXWOUBQ-JXFKEZNVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)ccc2c1 ZINC000495126495 246237651 /nfs/dbraw/zinc/23/76/51/246237651.db2.gz HWHKKYDTXWOUBQ-JXFKEZNVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)ccc2c1 ZINC000495126495 246237654 /nfs/dbraw/zinc/23/76/54/246237654.db2.gz HWHKKYDTXWOUBQ-JXFKEZNVSA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)ccc2c1 ZINC000495126495 246237656 /nfs/dbraw/zinc/23/76/56/246237656.db2.gz HWHKKYDTXWOUBQ-JXFKEZNVSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1cc(NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)nc[nH+]1 ZINC000495318526 246257673 /nfs/dbraw/zinc/25/76/73/246257673.db2.gz BBVTZMBWCZSSRL-FUHWJXTLSA-N 2 2 312.461 3.384 20 0 DGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000268796724 432137066 /nfs/dbraw/zinc/13/70/66/432137066.db2.gz GGPQXVNURNNAPL-DZGCQCFKSA-N 2 2 303.406 3.030 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H](C)Cn2cccn2)[NH+]2CCCC2)cc1 ZINC000138265390 284523838 /nfs/dbraw/zinc/52/38/38/284523838.db2.gz NMJQCJXQLNQKRS-MJGOQNOKSA-N 2 2 312.461 3.007 20 0 DGADLP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268810075 432138681 /nfs/dbraw/zinc/13/86/81/432138681.db2.gz DQQOZOFILFOAHW-GOSISDBHSA-N 2 2 324.896 3.301 20 0 DGADLP C[N@H+](Cc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746485 183128920 /nfs/dbraw/zinc/12/89/20/183128920.db2.gz YVUJVBCFCWHXSR-PBWFPOADSA-N 2 2 309.251 3.164 20 0 DGADLP C[N@@H+](Cc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746485 183128923 /nfs/dbraw/zinc/12/89/23/183128923.db2.gz YVUJVBCFCWHXSR-PBWFPOADSA-N 2 2 309.251 3.164 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccs1 ZINC000153259273 284664189 /nfs/dbraw/zinc/66/41/89/284664189.db2.gz DJAOJVUUSJZBOV-JKSUJKDBSA-N 2 2 310.507 3.393 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc(C)c1F ZINC000153352388 284667461 /nfs/dbraw/zinc/66/74/61/284667461.db2.gz DBDTZGLUGWFYLR-CZUORRHYSA-N 2 2 308.441 3.061 20 0 DGADLP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)noc1-c1ccccc1 ZINC000284827721 218195210 /nfs/dbraw/zinc/19/52/10/218195210.db2.gz AZNHZCAKAIHLOI-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)noc1-c1ccccc1 ZINC000284827721 218195212 /nfs/dbraw/zinc/19/52/12/218195212.db2.gz AZNHZCAKAIHLOI-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP COCC(C)(C)C[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000494321882 284792587 /nfs/dbraw/zinc/79/25/87/284792587.db2.gz CGKHIEXCRCUVTN-GOSISDBHSA-N 2 2 304.478 3.394 20 0 DGADLP COc1ccccc1[C@@H](CNc1cc[nH+]c(C2CC2)n1)[NH+](C)C ZINC000110113880 194311568 /nfs/dbraw/zinc/31/15/68/194311568.db2.gz XUQJGKXHZWWHQQ-OAHLLOKOSA-N 2 2 312.417 3.077 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000268864206 207033747 /nfs/dbraw/zinc/03/37/47/207033747.db2.gz STKPFKPKSVVVSS-VXGBXAGGSA-N 2 2 317.260 3.101 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000268880094 207052288 /nfs/dbraw/zinc/05/22/88/207052288.db2.gz AVGVVCMBSRNYTH-YOEHRIQHSA-N 2 2 308.491 3.173 20 0 DGADLP CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268911015 207078808 /nfs/dbraw/zinc/07/88/08/207078808.db2.gz MVOSOZFDJLBFAM-KBXCAEBGSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)(CCO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268929217 207095074 /nfs/dbraw/zinc/09/50/74/207095074.db2.gz LRFKCZLISYHLTN-UHFFFAOYSA-N 2 2 324.896 3.303 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000057831444 184056225 /nfs/dbraw/zinc/05/62/25/184056225.db2.gz KZTUWGGRMLVPIH-UHFFFAOYSA-N 2 2 322.412 3.428 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014069 207165346 /nfs/dbraw/zinc/16/53/46/207165346.db2.gz XYWAHGCSSWPADN-ZRGWGRIASA-N 2 2 310.445 3.006 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000269014069 207165350 /nfs/dbraw/zinc/16/53/50/207165350.db2.gz XYWAHGCSSWPADN-ZRGWGRIASA-N 2 2 310.445 3.006 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000269040434 207189274 /nfs/dbraw/zinc/18/92/74/207189274.db2.gz GKPMFJQSTACVQH-AUSJPIAWSA-N 3 2 324.472 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000269040434 207189276 /nfs/dbraw/zinc/18/92/76/207189276.db2.gz GKPMFJQSTACVQH-AUSJPIAWSA-N 3 2 324.472 3.314 20 0 DGADLP CC[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269049797 207198322 /nfs/dbraw/zinc/19/83/22/207198322.db2.gz ZEFWASXTAURFHT-INIZCTEOSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@@H](CCCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269042821 207191955 /nfs/dbraw/zinc/19/19/55/207191955.db2.gz XRFSXZPRXQODFR-AWEZNQCLSA-N 2 2 310.869 3.055 20 0 DGADLP COCC[N@H+](C)CC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000061376796 184169627 /nfs/dbraw/zinc/16/96/27/184169627.db2.gz AUQOVOHYPBUOPC-UHFFFAOYSA-N 2 2 304.459 3.083 20 0 DGADLP COCC[N@@H+](C)CC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000061376796 184169628 /nfs/dbraw/zinc/16/96/28/184169628.db2.gz AUQOVOHYPBUOPC-UHFFFAOYSA-N 2 2 304.459 3.083 20 0 DGADLP C[C@@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000269128536 207261892 /nfs/dbraw/zinc/26/18/92/207261892.db2.gz HMJZGCFOBXQARJ-HUUCEWRRSA-N 2 2 302.466 3.213 20 0 DGADLP Cc1ccoc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269143923 207273014 /nfs/dbraw/zinc/27/30/14/207273014.db2.gz NJOZICVPEQIFQX-UHFFFAOYSA-N 2 2 314.433 3.126 20 0 DGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000248738815 285021523 /nfs/dbraw/zinc/02/15/23/285021523.db2.gz PLQBHCKNNXKYBH-MDMSPXHWSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000248738815 285021526 /nfs/dbraw/zinc/02/15/26/285021526.db2.gz PLQBHCKNNXKYBH-MDMSPXHWSA-N 2 2 306.494 3.044 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119616374 195002477 /nfs/dbraw/zinc/00/24/77/195002477.db2.gz CEMYHXZYICWPDI-AWEZNQCLSA-N 2 2 314.364 3.136 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2o1 ZINC000119616374 195002478 /nfs/dbraw/zinc/00/24/78/195002478.db2.gz CEMYHXZYICWPDI-AWEZNQCLSA-N 2 2 314.364 3.136 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000248855491 285032686 /nfs/dbraw/zinc/03/26/86/285032686.db2.gz CYZHNOWFOWILAF-BPQIPLTHSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000248855491 285032690 /nfs/dbraw/zinc/03/26/90/285032690.db2.gz CYZHNOWFOWILAF-BPQIPLTHSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CCO)c3ccco3)CC2)C1 ZINC000249022829 285046858 /nfs/dbraw/zinc/04/68/58/285046858.db2.gz QZBJZELAMTWWRN-BPQIPLTHSA-N 2 2 320.477 3.336 20 0 DGADLP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000119930976 195064778 /nfs/dbraw/zinc/06/47/78/195064778.db2.gz VUCSDPNKVJDNBT-SUMWQHHRSA-N 2 2 308.853 3.071 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000249273375 285065730 /nfs/dbraw/zinc/06/57/30/285065730.db2.gz LFKSSFMTTBLCCA-LXTVHRRPSA-N 2 2 322.415 3.196 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000249273375 285065736 /nfs/dbraw/zinc/06/57/36/285065736.db2.gz LFKSSFMTTBLCCA-LXTVHRRPSA-N 2 2 322.415 3.196 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCOC1 ZINC000336708190 252997777 /nfs/dbraw/zinc/99/77/77/252997777.db2.gz JPJFZDKAFIMEDW-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCOC1 ZINC000336708190 252997779 /nfs/dbraw/zinc/99/77/79/252997779.db2.gz JPJFZDKAFIMEDW-OQIJWPOYSA-N 2 2 302.462 3.054 20 0 DGADLP CCn1c[nH+]cc1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000336853379 253007789 /nfs/dbraw/zinc/00/77/89/253007789.db2.gz GNHBMTBKNKWEDW-UHFFFAOYSA-N 2 2 304.482 3.181 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336871419 253015624 /nfs/dbraw/zinc/01/56/24/253015624.db2.gz GCZYZLYOQLHOAH-HNNXBMFYSA-N 2 2 307.397 3.215 20 0 DGADLP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2ccsc2)CC1 ZINC000337144568 253053352 /nfs/dbraw/zinc/05/33/52/253053352.db2.gz WRJJAVDCIAFDHN-INIZCTEOSA-N 2 2 324.490 3.016 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337048680 253040446 /nfs/dbraw/zinc/04/04/46/253040446.db2.gz HWHMJFRDTHJOIE-NHCUHLMSSA-N 2 2 324.468 3.063 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000337048680 253040448 /nfs/dbraw/zinc/04/04/48/253040448.db2.gz HWHMJFRDTHJOIE-NHCUHLMSSA-N 2 2 324.468 3.063 20 0 DGADLP CC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000249715642 285085363 /nfs/dbraw/zinc/08/53/63/285085363.db2.gz IICNKQAJPCNZME-IAGOWNOFSA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000249715642 285085364 /nfs/dbraw/zinc/08/53/64/285085364.db2.gz IICNKQAJPCNZME-IAGOWNOFSA-N 2 2 315.461 3.136 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337245823 253068732 /nfs/dbraw/zinc/06/87/32/253068732.db2.gz JGTHKMYTNGDODJ-MRXNPFEDSA-N 2 2 323.868 3.215 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337245823 253068734 /nfs/dbraw/zinc/06/87/34/253068734.db2.gz JGTHKMYTNGDODJ-MRXNPFEDSA-N 2 2 323.868 3.215 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391571 253104697 /nfs/dbraw/zinc/10/46/97/253104697.db2.gz HHCIIWLHBUAFDF-DJJJIMSYSA-N 2 2 315.436 3.312 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000337391571 253104700 /nfs/dbraw/zinc/10/47/00/253104700.db2.gz HHCIIWLHBUAFDF-DJJJIMSYSA-N 2 2 315.436 3.312 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414750 253111215 /nfs/dbraw/zinc/11/12/15/253111215.db2.gz YTGZZUTUSSIONN-DOTOQJQBSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000337414750 253111217 /nfs/dbraw/zinc/11/12/17/253111217.db2.gz YTGZZUTUSSIONN-DOTOQJQBSA-N 2 2 320.477 3.017 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1C ZINC000337417756 253111880 /nfs/dbraw/zinc/11/18/80/253111880.db2.gz DQLRMJGVGRNISM-JYJNAYRXSA-N 2 2 304.482 3.032 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1C ZINC000337417756 253111882 /nfs/dbraw/zinc/11/18/82/253111882.db2.gz DQLRMJGVGRNISM-JYJNAYRXSA-N 2 2 304.482 3.032 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCc4ccccc4OC3)cc2)c[nH+]1 ZINC000337863493 253186198 /nfs/dbraw/zinc/18/61/98/253186198.db2.gz NFYLCKQPLJAXHB-GOSISDBHSA-N 2 2 319.408 3.356 20 0 DGADLP COCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000338025837 253212496 /nfs/dbraw/zinc/21/24/96/253212496.db2.gz JDEVHIUFDRAOFF-SFHVURJKSA-N 2 2 319.493 3.087 20 0 DGADLP CC[N@H+](Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1)C1CC1 ZINC000338037810 253214252 /nfs/dbraw/zinc/21/42/52/253214252.db2.gz CJGWEPYOZAQMTJ-UHFFFAOYSA-N 2 2 309.413 3.049 20 0 DGADLP CC[N@@H+](Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1)C1CC1 ZINC000338037810 253214254 /nfs/dbraw/zinc/21/42/54/253214254.db2.gz CJGWEPYOZAQMTJ-UHFFFAOYSA-N 2 2 309.413 3.049 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338313981 253263615 /nfs/dbraw/zinc/26/36/15/253263615.db2.gz IGBSYTSGZXXRGP-WMZOPIPTSA-N 2 2 321.465 3.016 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338313981 253263617 /nfs/dbraw/zinc/26/36/17/253263617.db2.gz IGBSYTSGZXXRGP-WMZOPIPTSA-N 2 2 321.465 3.016 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338313976 253263821 /nfs/dbraw/zinc/26/38/21/253263821.db2.gz IGBSYTSGZXXRGP-AEFFLSMTSA-N 2 2 321.465 3.016 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338313976 253263823 /nfs/dbraw/zinc/26/38/23/253263823.db2.gz IGBSYTSGZXXRGP-AEFFLSMTSA-N 2 2 321.465 3.016 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+]C[C@H]3CCCOC3)ccc2n1C1CC1 ZINC000338459820 253291285 /nfs/dbraw/zinc/29/12/85/253291285.db2.gz RRALOUNCJCKWRV-OAHLLOKOSA-N 2 2 313.445 3.450 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563343 253310933 /nfs/dbraw/zinc/31/09/33/253310933.db2.gz KQZYRUDGDOQNHC-YZGWKJHDSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563343 253310935 /nfs/dbraw/zinc/31/09/35/253310935.db2.gz KQZYRUDGDOQNHC-YZGWKJHDSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000338563343 253310937 /nfs/dbraw/zinc/31/09/37/253310937.db2.gz KQZYRUDGDOQNHC-YZGWKJHDSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000338563343 253310938 /nfs/dbraw/zinc/31/09/38/253310938.db2.gz KQZYRUDGDOQNHC-YZGWKJHDSA-N 2 2 314.473 3.323 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000338563662 253312004 /nfs/dbraw/zinc/31/20/04/253312004.db2.gz NSLLAKANTFUUHQ-KRWDZBQOSA-N 2 2 318.461 3.002 20 0 DGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000339797872 253522554 /nfs/dbraw/zinc/52/25/54/253522554.db2.gz ZNPNEFUQURKSJJ-HNNXBMFYSA-N 2 2 310.869 3.157 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000158550106 197282749 /nfs/dbraw/zinc/28/27/49/197282749.db2.gz DWPJWCGFBWUBBT-UZLBHIALSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000158550106 197282750 /nfs/dbraw/zinc/28/27/50/197282750.db2.gz DWPJWCGFBWUBBT-UZLBHIALSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000158550106 197282752 /nfs/dbraw/zinc/28/27/52/197282752.db2.gz DWPJWCGFBWUBBT-UZLBHIALSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000158550106 197282754 /nfs/dbraw/zinc/28/27/54/197282754.db2.gz DWPJWCGFBWUBBT-UZLBHIALSA-N 2 2 309.457 3.459 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1Oc1ccccc1 ZINC000342571028 254010625 /nfs/dbraw/zinc/01/06/25/254010625.db2.gz BPZQLTLPIYLWBY-OIISXLGYSA-N 2 2 311.429 3.034 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)cc2[nH+]1 ZINC000342717542 254037083 /nfs/dbraw/zinc/03/70/83/254037083.db2.gz VSGBEZQKHZNTIS-OCCSQVGLSA-N 2 2 314.433 3.232 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)[nH+]1 ZINC000342704945 254035306 /nfs/dbraw/zinc/03/53/06/254035306.db2.gz OIECCJPQTXSEIN-GOSISDBHSA-N 2 2 307.397 3.378 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)[nH+]1 ZINC000342704945 254035310 /nfs/dbraw/zinc/03/53/10/254035310.db2.gz OIECCJPQTXSEIN-GOSISDBHSA-N 2 2 307.397 3.378 20 0 DGADLP CS[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@@H]1[NH+](C)C ZINC000342705965 254035713 /nfs/dbraw/zinc/03/57/13/254035713.db2.gz WJAVOKRIVPACSM-LSDHHAIUSA-N 2 2 321.877 3.370 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000427879482 533120959 /nfs/dbraw/zinc/12/09/59/533120959.db2.gz YAMYARDFERUEPL-TZMCWYRMSA-N 2 2 317.458 3.279 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000343111332 254100847 /nfs/dbraw/zinc/10/08/47/254100847.db2.gz VQCMFPRPMFGFRI-HBUWYVDXSA-N 2 2 322.880 3.416 20 0 DGADLP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271339443 208826831 /nfs/dbraw/zinc/82/68/31/208826831.db2.gz GJZFUIASGWZMCE-ACJLOTCBSA-N 2 2 313.376 3.339 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000343462009 254147078 /nfs/dbraw/zinc/14/70/78/254147078.db2.gz JYPAGFSJGSMKPO-IUODEOHRSA-N 2 2 315.442 3.033 20 0 DGADLP c1sc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1C1CC1 ZINC000343532254 254156869 /nfs/dbraw/zinc/15/68/69/254156869.db2.gz PKPGKUFXAUSLGQ-CYBMUJFWSA-N 2 2 314.458 3.350 20 0 DGADLP c1sc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1C1CC1 ZINC000343532254 254156870 /nfs/dbraw/zinc/15/68/70/254156870.db2.gz PKPGKUFXAUSLGQ-CYBMUJFWSA-N 2 2 314.458 3.350 20 0 DGADLP COc1cccc2c(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)cc[nH+]c12 ZINC000343625759 254169834 /nfs/dbraw/zinc/16/98/34/254169834.db2.gz LFESNPHEIUEMGY-GJZGRUSLSA-N 2 2 311.429 3.306 20 0 DGADLP CCOc1ccccc1OCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343749406 254184701 /nfs/dbraw/zinc/18/47/01/254184701.db2.gz MQPSMXHDCFWXID-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP CCOc1ccccc1OCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343749406 254184703 /nfs/dbraw/zinc/18/47/03/254184703.db2.gz MQPSMXHDCFWXID-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826614 254193042 /nfs/dbraw/zinc/19/30/42/254193042.db2.gz DSNATJHMVLLCPS-DCAQKATOSA-N 2 2 319.396 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826614 254193043 /nfs/dbraw/zinc/19/30/43/254193043.db2.gz DSNATJHMVLLCPS-DCAQKATOSA-N 2 2 319.396 3.439 20 0 DGADLP C[C@@H](CCNc1cc(N2CCCCC2)[nH+]cn1)[NH+]1CCCCC1 ZINC000343890052 254200390 /nfs/dbraw/zinc/20/03/90/254200390.db2.gz RRUBIQRSMFXPSB-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP C[C@@H](CCNc1cc(N2CCCCC2)nc[nH+]1)[NH+]1CCCCC1 ZINC000343890052 254200392 /nfs/dbraw/zinc/20/03/92/254200392.db2.gz RRUBIQRSMFXPSB-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157119332 197163747 /nfs/dbraw/zinc/16/37/47/197163747.db2.gz FXHMPGUGUSAYKS-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157119332 197163749 /nfs/dbraw/zinc/16/37/49/197163749.db2.gz FXHMPGUGUSAYKS-KRWDZBQOSA-N 2 2 318.461 3.154 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000344769217 254303949 /nfs/dbraw/zinc/30/39/49/254303949.db2.gz JPUUKBJGQIDVFM-CVEARBPZSA-N 2 2 322.449 3.056 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000344780618 254304594 /nfs/dbraw/zinc/30/45/94/254304594.db2.gz ZJWKHNVPDFWRPU-OAHLLOKOSA-N 2 2 322.468 3.236 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000309776979 533142461 /nfs/dbraw/zinc/14/24/61/533142461.db2.gz JLEGRVILPGZOJJ-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP COCC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000309776979 533142463 /nfs/dbraw/zinc/14/24/63/533142463.db2.gz JLEGRVILPGZOJJ-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000120444990 195167668 /nfs/dbraw/zinc/16/76/68/195167668.db2.gz XQJXOHNNIZXHNI-MJGOQNOKSA-N 2 2 324.472 3.055 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000120444990 195167670 /nfs/dbraw/zinc/16/76/70/195167670.db2.gz XQJXOHNNIZXHNI-MJGOQNOKSA-N 2 2 324.472 3.055 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@@H+]1Cc1ccccc1 ZINC000271566009 209017990 /nfs/dbraw/zinc/01/79/90/209017990.db2.gz SVEHAAJLWZOGLF-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)C[N@H+]1Cc1ccccc1 ZINC000271566009 209017992 /nfs/dbraw/zinc/01/79/92/209017992.db2.gz SVEHAAJLWZOGLF-AEFFLSMTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305101672 285290269 /nfs/dbraw/zinc/29/02/69/285290269.db2.gz BLGXGTMWHCHGEW-HNNXBMFYSA-N 2 2 307.397 3.215 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000289482999 221008412 /nfs/dbraw/zinc/00/84/12/221008412.db2.gz AZDKOTBLRDMTLY-QGZVFWFLSA-N 2 2 322.811 3.438 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478063 221003266 /nfs/dbraw/zinc/00/32/66/221003266.db2.gz HYMFLZUCAIJXRN-DOMZBBRYSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cc2ccccc2s1 ZINC000289478063 221003268 /nfs/dbraw/zinc/00/32/68/221003268.db2.gz HYMFLZUCAIJXRN-DOMZBBRYSA-N 2 2 304.459 3.007 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cscc2Br)CC1 ZINC000289754325 221202177 /nfs/dbraw/zinc/20/21/77/221202177.db2.gz QBXMGVBAEXBJDM-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cscc2Br)CC1 ZINC000289754325 221202179 /nfs/dbraw/zinc/20/21/79/221202179.db2.gz QBXMGVBAEXBJDM-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000289791557 221227993 /nfs/dbraw/zinc/22/79/93/221227993.db2.gz LXYPETQFPKOZRS-XJKSGUPXSA-N 2 2 318.852 3.046 20 0 DGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000289989084 221362946 /nfs/dbraw/zinc/36/29/46/221362946.db2.gz YIASLRUESREGCN-ROUUACIJSA-N 2 2 311.429 3.262 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000289989084 221362948 /nfs/dbraw/zinc/36/29/48/221362948.db2.gz YIASLRUESREGCN-ROUUACIJSA-N 2 2 311.429 3.262 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C(=O)OC)sc2C)CC1 ZINC000151333092 196666129 /nfs/dbraw/zinc/66/61/29/196666129.db2.gz AJWKFNKPYUSCDC-UHFFFAOYSA-N 2 2 324.490 3.149 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C(=O)OC)sc2C)CC1 ZINC000151333092 196666131 /nfs/dbraw/zinc/66/61/31/196666131.db2.gz AJWKFNKPYUSCDC-UHFFFAOYSA-N 2 2 324.490 3.149 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000352535047 285353289 /nfs/dbraw/zinc/35/32/89/285353289.db2.gz LUFSYZAMFIWWLV-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000352535047 285353293 /nfs/dbraw/zinc/35/32/93/285353293.db2.gz LUFSYZAMFIWWLV-INIZCTEOSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)o1 ZINC000352535298 285353965 /nfs/dbraw/zinc/35/39/65/285353965.db2.gz OUZFFPAIXFXPHN-QGZVFWFLSA-N 2 2 317.458 3.287 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)o1 ZINC000352535298 285353968 /nfs/dbraw/zinc/35/39/68/285353968.db2.gz OUZFFPAIXFXPHN-QGZVFWFLSA-N 2 2 317.458 3.287 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000340506232 285389341 /nfs/dbraw/zinc/38/93/41/285389341.db2.gz DNDCJLFRNRNQIE-QFBILLFUSA-N 2 2 300.446 3.376 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000340506232 285389342 /nfs/dbraw/zinc/38/93/42/285389342.db2.gz DNDCJLFRNRNQIE-QFBILLFUSA-N 2 2 300.446 3.376 20 0 DGADLP COc1cccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)c1 ZINC000430578146 533374002 /nfs/dbraw/zinc/37/40/02/533374002.db2.gz DNEUNLGRPQQWDM-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)c1 ZINC000430578146 533374007 /nfs/dbraw/zinc/37/40/07/533374007.db2.gz DNEUNLGRPQQWDM-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1F ZINC000432409521 533380291 /nfs/dbraw/zinc/38/02/91/533380291.db2.gz ZRLYTNFPOFYKQN-ZIAGYGMSSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)ccc1F ZINC000432409521 533380294 /nfs/dbraw/zinc/38/02/94/533380294.db2.gz ZRLYTNFPOFYKQN-ZIAGYGMSSA-N 2 2 312.404 3.116 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCCOC1 ZINC000442870188 533394173 /nfs/dbraw/zinc/39/41/73/533394173.db2.gz FVJTXCXAGQPFGZ-MSOLQXFVSA-N 2 2 308.510 3.437 20 0 DGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000428214077 533407685 /nfs/dbraw/zinc/40/76/85/533407685.db2.gz BEMMDZJORBVLJU-VQIMIIECSA-N 2 2 313.445 3.021 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415044726 533423170 /nfs/dbraw/zinc/42/31/70/533423170.db2.gz BAIJQQINYYCEOJ-GFCCVEGCSA-N 2 2 305.249 3.465 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1OC(C)C ZINC000432793023 533476175 /nfs/dbraw/zinc/47/61/75/533476175.db2.gz NEBAYDGOIUTGNC-QGZVFWFLSA-N 2 2 320.477 3.399 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1OC(C)C ZINC000432793023 533476178 /nfs/dbraw/zinc/47/61/78/533476178.db2.gz NEBAYDGOIUTGNC-QGZVFWFLSA-N 2 2 320.477 3.399 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@H+](Cc2ccccc2)C1 ZINC000344684453 533642089 /nfs/dbraw/zinc/64/20/89/533642089.db2.gz YBVJFDNGFSLEGS-IEBWSBKVSA-N 2 2 318.505 3.285 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@@H+](Cc2ccccc2)C1 ZINC000344684453 533642096 /nfs/dbraw/zinc/64/20/96/533642096.db2.gz YBVJFDNGFSLEGS-IEBWSBKVSA-N 2 2 318.505 3.285 20 0 DGADLP FC(F)(F)COc1cc(NCc2cccc3[nH+]ccn32)cc[nH+]1 ZINC000357704075 285834639 /nfs/dbraw/zinc/83/46/39/285834639.db2.gz TUHMUGNFBBVRCQ-UHFFFAOYSA-N 2 2 322.290 3.283 20 0 DGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCCCn1cc[nH+]c1 ZINC000091424882 400117693 /nfs/dbraw/zinc/11/76/93/400117693.db2.gz PHZKACUOLJEVJS-UHFFFAOYSA-N 2 2 324.384 3.110 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056405 400092486 /nfs/dbraw/zinc/09/24/86/400092486.db2.gz HAOCIFWAHWXRCB-IAGOWNOFSA-N 2 2 318.461 3.387 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C(=O)OC)cc1 ZINC000595056405 400092491 /nfs/dbraw/zinc/09/24/91/400092491.db2.gz HAOCIFWAHWXRCB-IAGOWNOFSA-N 2 2 318.461 3.387 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540763 400093982 /nfs/dbraw/zinc/09/39/82/400093982.db2.gz GKNRXPFSCAFCQU-DZGCQCFKSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540763 400093985 /nfs/dbraw/zinc/09/39/85/400093985.db2.gz GKNRXPFSCAFCQU-DZGCQCFKSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540764 400094059 /nfs/dbraw/zinc/09/40/59/400094059.db2.gz GKNRXPFSCAFCQU-HIFRSBDPSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cc(C(=O)OC)c(C)o2)C1 ZINC000292540764 400094063 /nfs/dbraw/zinc/09/40/63/400094063.db2.gz GKNRXPFSCAFCQU-HIFRSBDPSA-N 2 2 322.449 3.099 20 0 DGADLP c1c[nH+]c([C@H](Nc2cc3c(c[nH+]2)CCCC3)c2cccnc2)[nH]1 ZINC000584872968 400118294 /nfs/dbraw/zinc/11/82/94/400118294.db2.gz NOKMKEWKWALGLZ-QGZVFWFLSA-N 2 2 305.385 3.280 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091312409 400112408 /nfs/dbraw/zinc/11/24/08/400112408.db2.gz WMUBVXKSKFNOHN-NEPJUHHUSA-N 2 2 308.857 3.218 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090847111 400079148 /nfs/dbraw/zinc/07/91/48/400079148.db2.gz RRIVZEPCHUKHIR-INIZCTEOSA-N 2 2 323.440 3.410 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(OC)c1 ZINC000090846833 400079154 /nfs/dbraw/zinc/07/91/54/400079154.db2.gz YFYXWEPAFFZJAL-CQSZACIVSA-N 2 2 300.402 3.301 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090846756 400079253 /nfs/dbraw/zinc/07/92/53/400079253.db2.gz OFSLHWUTUFMLTO-INIZCTEOSA-N 2 2 323.440 3.410 20 0 DGADLP Fc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000091684969 400130822 /nfs/dbraw/zinc/13/08/22/400130822.db2.gz YDQJLAPKAUIKSY-LBPRGKRZSA-N 2 2 323.799 3.461 20 0 DGADLP Fc1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000091684969 400130827 /nfs/dbraw/zinc/13/08/27/400130827.db2.gz YDQJLAPKAUIKSY-LBPRGKRZSA-N 2 2 323.799 3.461 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)sc2C1 ZINC000092043368 400149393 /nfs/dbraw/zinc/14/93/93/400149393.db2.gz QCLNSXJYHZWSGZ-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)sc2C1 ZINC000092043368 400149396 /nfs/dbraw/zinc/14/93/96/400149396.db2.gz QCLNSXJYHZWSGZ-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)sc2C1 ZINC000092043368 400149403 /nfs/dbraw/zinc/14/94/03/400149403.db2.gz QCLNSXJYHZWSGZ-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)sc2C1 ZINC000092043368 400149407 /nfs/dbraw/zinc/14/94/07/400149407.db2.gz QCLNSXJYHZWSGZ-IIAWOOMASA-N 2 2 319.518 3.184 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043249 400149524 /nfs/dbraw/zinc/14/95/24/400149524.db2.gz CALOSNKPQOIRDM-HIFRSBDPSA-N 2 2 316.474 3.054 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043249 400149529 /nfs/dbraw/zinc/14/95/29/400149529.db2.gz CALOSNKPQOIRDM-HIFRSBDPSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043249 400149535 /nfs/dbraw/zinc/14/95/35/400149535.db2.gz CALOSNKPQOIRDM-HIFRSBDPSA-N 2 2 316.474 3.054 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CC[C@@H]21 ZINC000092043249 400149542 /nfs/dbraw/zinc/14/95/42/400149542.db2.gz CALOSNKPQOIRDM-HIFRSBDPSA-N 2 2 316.474 3.054 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316374019 400149988 /nfs/dbraw/zinc/14/99/88/400149988.db2.gz IEKFTGCDWUMIFD-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316374019 400149994 /nfs/dbraw/zinc/14/99/94/400149994.db2.gz IEKFTGCDWUMIFD-CVEARBPZSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071555 400151297 /nfs/dbraw/zinc/15/12/97/400151297.db2.gz PBKNNIOIVMQWMM-NSHDSACASA-N 2 2 310.323 3.203 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071555 400151300 /nfs/dbraw/zinc/15/13/00/400151300.db2.gz PBKNNIOIVMQWMM-NSHDSACASA-N 2 2 310.323 3.203 20 0 DGADLP Clc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071573 400151872 /nfs/dbraw/zinc/15/18/72/400151872.db2.gz WDGBVUPWZBPCMU-LBPRGKRZSA-N 2 2 315.808 3.090 20 0 DGADLP Clc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071573 400151876 /nfs/dbraw/zinc/15/18/76/400151876.db2.gz WDGBVUPWZBPCMU-LBPRGKRZSA-N 2 2 315.808 3.090 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000317822629 400156418 /nfs/dbraw/zinc/15/64/18/400156418.db2.gz VEAHAGOFBSBYRB-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@@H]1C[NH3+] ZINC000317822629 400156422 /nfs/dbraw/zinc/15/64/22/400156422.db2.gz VEAHAGOFBSBYRB-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H](c1cccs1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690207 400223603 /nfs/dbraw/zinc/22/36/03/400223603.db2.gz BTVLRWWQLDKLNN-WBVHZDCISA-N 2 2 318.486 3.234 20 0 DGADLP C[C@H](c1cccs1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690207 400223608 /nfs/dbraw/zinc/22/36/08/400223608.db2.gz BTVLRWWQLDKLNN-WBVHZDCISA-N 2 2 318.486 3.234 20 0 DGADLP C[C@H](c1cccs1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690207 400223613 /nfs/dbraw/zinc/22/36/13/400223613.db2.gz BTVLRWWQLDKLNN-WBVHZDCISA-N 2 2 318.486 3.234 20 0 DGADLP C[C@H](c1cccs1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690207 400223619 /nfs/dbraw/zinc/22/36/19/400223619.db2.gz BTVLRWWQLDKLNN-WBVHZDCISA-N 2 2 318.486 3.234 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cn1 ZINC000092740894 400200198 /nfs/dbraw/zinc/20/01/98/400200198.db2.gz OMXUBMLZWRCJRG-LBPRGKRZSA-N 2 2 314.339 3.396 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589637882 400313712 /nfs/dbraw/zinc/31/37/12/400313712.db2.gz IGXVMHLKLBYHBR-UHFFFAOYSA-N 2 2 305.385 3.011 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093866326 400258421 /nfs/dbraw/zinc/25/84/21/400258421.db2.gz KALDBBSPJMKTDX-KRWDZBQOSA-N 2 2 324.380 3.490 20 0 DGADLP COc1ccc2oc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093866326 400258424 /nfs/dbraw/zinc/25/84/24/400258424.db2.gz KALDBBSPJMKTDX-KRWDZBQOSA-N 2 2 324.380 3.490 20 0 DGADLP Clc1ccc(Cl)c(SCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573295 400335861 /nfs/dbraw/zinc/33/58/61/400335861.db2.gz APJDOLDJNIJPPZ-QWRGUYRKSA-N 2 2 317.285 3.237 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000040622123 400402050 /nfs/dbraw/zinc/40/20/50/400402050.db2.gz ZSEFUVWGFRFSEP-ZDUSSCGKSA-N 2 2 311.267 3.269 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000040622123 400402053 /nfs/dbraw/zinc/40/20/53/400402053.db2.gz ZSEFUVWGFRFSEP-ZDUSSCGKSA-N 2 2 311.267 3.269 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000072974718 400420021 /nfs/dbraw/zinc/42/00/21/400420021.db2.gz MYQHKTLDRIIARM-LSDHHAIUSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000072974718 400420027 /nfs/dbraw/zinc/42/00/27/400420027.db2.gz MYQHKTLDRIIARM-LSDHHAIUSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000072974718 400420030 /nfs/dbraw/zinc/42/00/30/400420030.db2.gz MYQHKTLDRIIARM-LSDHHAIUSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000072974718 400420038 /nfs/dbraw/zinc/42/00/38/400420038.db2.gz MYQHKTLDRIIARM-LSDHHAIUSA-N 2 2 322.415 3.152 20 0 DGADLP CSC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000591577280 400541630 /nfs/dbraw/zinc/54/16/30/400541630.db2.gz LSNIBXVJASNSHO-CQSZACIVSA-N 2 2 318.408 3.451 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000591868764 400568254 /nfs/dbraw/zinc/56/82/54/400568254.db2.gz DOJUIKOUOLAVAR-AWEZNQCLSA-N 2 2 304.463 3.474 20 0 DGADLP C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358104775 285972096 /nfs/dbraw/zinc/97/20/96/285972096.db2.gz YTNBLWKVFVJKHL-ZDUSSCGKSA-N 2 2 323.425 3.432 20 0 DGADLP O=C(C[NH2+]C1CC1)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000154673170 400697077 /nfs/dbraw/zinc/69/70/77/400697077.db2.gz WARIBSNQJGYHGR-UHFFFAOYSA-N 2 2 312.417 3.301 20 0 DGADLP COc1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052004102 400713853 /nfs/dbraw/zinc/71/38/53/400713853.db2.gz PQAMCRIUZALNAU-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP COc1ccc(C)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052004236 400714108 /nfs/dbraw/zinc/71/41/08/400714108.db2.gz QOYIMKBOYXCFDP-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000605712122 400882978 /nfs/dbraw/zinc/88/29/78/400882978.db2.gz QSMZIHRPPZATNH-ZFWWWQNUSA-N 2 2 320.462 3.274 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000605712122 400882984 /nfs/dbraw/zinc/88/29/84/400882984.db2.gz QSMZIHRPPZATNH-ZFWWWQNUSA-N 2 2 320.462 3.274 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c[nH+]1 ZINC000619427818 400845941 /nfs/dbraw/zinc/84/59/41/400845941.db2.gz WUSXUGSELBTHFI-INIZCTEOSA-N 2 2 306.450 3.279 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598954464 400911661 /nfs/dbraw/zinc/91/16/61/400911661.db2.gz UKGOLPMQJMEJCC-LBPRGKRZSA-N 2 2 321.446 3.078 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835223 400913795 /nfs/dbraw/zinc/91/37/95/400913795.db2.gz WVGVGYFKTSVFMU-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000191835223 400913798 /nfs/dbraw/zinc/91/37/98/400913798.db2.gz WVGVGYFKTSVFMU-WMZOPIPTSA-N 2 2 304.478 3.302 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)[nH]1 ZINC000080958909 401007139 /nfs/dbraw/zinc/00/71/39/401007139.db2.gz NNXXOEUZBNMABS-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)[nH]1 ZINC000080958909 401007143 /nfs/dbraw/zinc/00/71/43/401007143.db2.gz NNXXOEUZBNMABS-HNNXBMFYSA-N 2 2 308.385 3.444 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000629649815 401016580 /nfs/dbraw/zinc/01/65/80/401016580.db2.gz HOTFGPDBJYDURG-WOJBJXKFSA-N 2 2 320.436 3.198 20 0 DGADLP Fc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1F ZINC000594051861 400965069 /nfs/dbraw/zinc/96/50/69/400965069.db2.gz WDQMUIJVEVANMM-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C(F)(F)F ZINC000629561588 400977083 /nfs/dbraw/zinc/97/70/83/400977083.db2.gz IPSNORDCWKWCDC-CABCVRRESA-N 2 2 323.362 3.194 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C(F)(F)F ZINC000629561588 400977087 /nfs/dbraw/zinc/97/70/87/400977087.db2.gz IPSNORDCWKWCDC-CABCVRRESA-N 2 2 323.362 3.194 20 0 DGADLP CCCCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC ZINC000236659737 400980315 /nfs/dbraw/zinc/98/03/15/400980315.db2.gz WNHVGCIALRBXHX-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCCOc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC ZINC000236659737 400980325 /nfs/dbraw/zinc/98/03/25/400980325.db2.gz WNHVGCIALRBXHX-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CC[C@H](CO)Nc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)c[nH+]1 ZINC000629709105 401052521 /nfs/dbraw/zinc/05/25/21/401052521.db2.gz OQIHTAOLGDNBEE-MRXNPFEDSA-N 2 2 317.408 3.132 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516323 401073809 /nfs/dbraw/zinc/07/38/09/401073809.db2.gz CUPRRUJHTKKMMZ-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516323 401073812 /nfs/dbraw/zinc/07/38/12/401073812.db2.gz CUPRRUJHTKKMMZ-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516323 401073814 /nfs/dbraw/zinc/07/38/14/401073814.db2.gz CUPRRUJHTKKMMZ-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000081516323 401073818 /nfs/dbraw/zinc/07/38/18/401073818.db2.gz CUPRRUJHTKKMMZ-PBHICJAKSA-N 2 2 310.869 3.037 20 0 DGADLP Oc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268438 401078747 /nfs/dbraw/zinc/07/87/47/401078747.db2.gz YLQGJBXQTMNEBY-FZKQIMNGSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000625268438 401078758 /nfs/dbraw/zinc/07/87/58/401078758.db2.gz YLQGJBXQTMNEBY-FZKQIMNGSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000625268438 401078765 /nfs/dbraw/zinc/07/87/65/401078765.db2.gz YLQGJBXQTMNEBY-FZKQIMNGSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000625268438 401078771 /nfs/dbraw/zinc/07/87/71/401078771.db2.gz YLQGJBXQTMNEBY-FZKQIMNGSA-N 2 2 320.864 3.494 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317625 401021475 /nfs/dbraw/zinc/02/14/75/401021475.db2.gz TWKWFRSQMZOBPQ-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317625 401021480 /nfs/dbraw/zinc/02/14/80/401021480.db2.gz TWKWFRSQMZOBPQ-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317625 401021485 /nfs/dbraw/zinc/02/14/85/401021485.db2.gz TWKWFRSQMZOBPQ-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC000599317625 401021492 /nfs/dbraw/zinc/02/14/92/401021492.db2.gz TWKWFRSQMZOBPQ-CVEARBPZSA-N 2 2 312.498 3.016 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F ZINC000629657435 401022047 /nfs/dbraw/zinc/02/20/47/401022047.db2.gz XTAYWOWZQMXNME-STQMWFEESA-N 2 2 304.331 3.093 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F ZINC000629657435 401022050 /nfs/dbraw/zinc/02/20/50/401022050.db2.gz XTAYWOWZQMXNME-STQMWFEESA-N 2 2 304.331 3.093 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000599340159 401025863 /nfs/dbraw/zinc/02/58/63/401025863.db2.gz BVBLYYUBWTWLJK-INIZCTEOSA-N 2 2 321.465 3.346 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000599340159 401025873 /nfs/dbraw/zinc/02/58/73/401025873.db2.gz BVBLYYUBWTWLJK-INIZCTEOSA-N 2 2 321.465 3.346 20 0 DGADLP Clc1ccc(/C=C/C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625545410 401153568 /nfs/dbraw/zinc/15/35/68/401153568.db2.gz AWISLOGIZXCEEL-OWOJBTEDSA-N 2 2 320.864 3.150 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@H](C)C1 ZINC000358267022 286016088 /nfs/dbraw/zinc/01/60/88/286016088.db2.gz OGMZKIOHTOUKMR-ZBFHGGJFSA-N 2 2 305.466 3.079 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC(C)(C)C)n2)[C@H](C)C1 ZINC000358267022 286016089 /nfs/dbraw/zinc/01/60/89/286016089.db2.gz OGMZKIOHTOUKMR-ZBFHGGJFSA-N 2 2 305.466 3.079 20 0 DGADLP Cc1ccc(C)c(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)c1 ZINC000630051298 401169960 /nfs/dbraw/zinc/16/99/60/401169960.db2.gz LDZNPLMTSZKEKF-UHFFFAOYSA-N 2 2 306.413 3.486 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257704 286013130 /nfs/dbraw/zinc/01/31/30/286013130.db2.gz SHXVYAZVSHFJBQ-KUHUBIRLSA-N 2 2 316.445 3.021 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257704 286013132 /nfs/dbraw/zinc/01/31/32/286013132.db2.gz SHXVYAZVSHFJBQ-KUHUBIRLSA-N 2 2 316.445 3.021 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000358257577 286013141 /nfs/dbraw/zinc/01/31/41/286013141.db2.gz USUOKCYXURVLEZ-ZDUSSCGKSA-N 2 2 318.392 3.440 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000358319152 286030636 /nfs/dbraw/zinc/03/06/36/286030636.db2.gz NPUAXBLRLHULGM-VBNZEHGJSA-N 2 2 306.425 3.358 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000358319152 286030638 /nfs/dbraw/zinc/03/06/38/286030638.db2.gz NPUAXBLRLHULGM-VBNZEHGJSA-N 2 2 306.425 3.358 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000088693861 401205835 /nfs/dbraw/zinc/20/58/35/401205835.db2.gz LDXRKXWBFFYSQV-APWZRJJASA-N 2 2 310.441 3.360 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000088693861 401205837 /nfs/dbraw/zinc/20/58/37/401205837.db2.gz LDXRKXWBFFYSQV-APWZRJJASA-N 2 2 310.441 3.360 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCc2ccccc21 ZINC000090046610 401249136 /nfs/dbraw/zinc/24/91/36/401249136.db2.gz XTIFEFYGDPUOQI-LPHOPBHVSA-N 2 2 302.462 3.155 20 0 DGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678352 401331123 /nfs/dbraw/zinc/33/11/23/401331123.db2.gz QDOAQQFPSBMCRF-QZTJIDSGSA-N 2 2 304.478 3.399 20 0 DGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634682446 401333388 /nfs/dbraw/zinc/33/33/88/401333388.db2.gz RLGXZSIJAKZVPM-INIZCTEOSA-N 2 2 317.477 3.116 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683314 401333879 /nfs/dbraw/zinc/33/38/79/401333879.db2.gz ONEMQRJHUYBNCC-RBUKOAKNSA-N 2 2 316.489 3.444 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683314 401333881 /nfs/dbraw/zinc/33/38/81/401333881.db2.gz ONEMQRJHUYBNCC-RBUKOAKNSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686548 401335389 /nfs/dbraw/zinc/33/53/89/401335389.db2.gz MSJHPTYWCNMOKS-QZTJIDSGSA-N 2 2 302.462 3.117 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCOC(C)(C)C3)C2)cc1 ZINC000634686548 401335391 /nfs/dbraw/zinc/33/53/91/401335391.db2.gz MSJHPTYWCNMOKS-QZTJIDSGSA-N 2 2 302.462 3.117 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004180 401335436 /nfs/dbraw/zinc/33/54/36/401335436.db2.gz LPNDIPYFRAIXGG-UYAOXDASSA-N 2 2 323.440 3.070 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004180 401335437 /nfs/dbraw/zinc/33/54/37/401335437.db2.gz LPNDIPYFRAIXGG-UYAOXDASSA-N 2 2 323.440 3.070 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000626087722 401297057 /nfs/dbraw/zinc/29/70/57/401297057.db2.gz YWDDMKWMYJIVFX-UHFFFAOYSA-N 2 2 302.462 3.072 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780108 401298990 /nfs/dbraw/zinc/29/89/90/401298990.db2.gz NNMKEVKWBBWLOK-DYVFJYSZSA-N 2 2 317.820 3.308 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000621780108 401298993 /nfs/dbraw/zinc/29/89/93/401298993.db2.gz NNMKEVKWBBWLOK-DYVFJYSZSA-N 2 2 317.820 3.308 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781826 401299511 /nfs/dbraw/zinc/29/95/11/401299511.db2.gz IYPIITGVNUHDEH-QFBILLFUSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781826 401299513 /nfs/dbraw/zinc/29/95/13/401299513.db2.gz IYPIITGVNUHDEH-QFBILLFUSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781941 401299805 /nfs/dbraw/zinc/29/98/05/401299805.db2.gz KHISMXNMKHFIHS-SUMWQHHRSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1c(Cl)ccc3cccnc31)C2 ZINC000621781941 401299808 /nfs/dbraw/zinc/29/98/08/401299808.db2.gz KHISMXNMKHFIHS-SUMWQHHRSA-N 2 2 301.821 3.201 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2nccnc2c1 ZINC000634974811 401392871 /nfs/dbraw/zinc/39/28/71/401392871.db2.gz LBBMKKCIKMLMOT-MRXNPFEDSA-N 2 2 320.440 3.240 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2nccnc2c1 ZINC000634974811 401392876 /nfs/dbraw/zinc/39/28/76/401392876.db2.gz LBBMKKCIKMLMOT-MRXNPFEDSA-N 2 2 320.440 3.240 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631195246 401422585 /nfs/dbraw/zinc/42/25/85/401422585.db2.gz UYKSCQSAXXFWOK-YOEHRIQHSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631195246 401422589 /nfs/dbraw/zinc/42/25/89/401422589.db2.gz UYKSCQSAXXFWOK-YOEHRIQHSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259036 401439548 /nfs/dbraw/zinc/43/95/48/401439548.db2.gz HXMUIAZODDVMQR-RBUKOAKNSA-N 2 2 314.473 3.261 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000631259036 401439552 /nfs/dbraw/zinc/43/95/52/401439552.db2.gz HXMUIAZODDVMQR-RBUKOAKNSA-N 2 2 314.473 3.261 20 0 DGADLP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623089649 401463559 /nfs/dbraw/zinc/46/35/59/401463559.db2.gz QTPDHSSFXLHQKK-OWOJBTEDSA-N 2 2 312.379 3.406 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000623089484 401463740 /nfs/dbraw/zinc/46/37/40/401463740.db2.gz JSVMJNQIHQAVIT-UHFFFAOYSA-N 2 2 307.388 3.235 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCc4ncccc43)cn21 ZINC000631643383 401521913 /nfs/dbraw/zinc/52/19/13/401521913.db2.gz VOBKWLOTRQWKCT-GOSISDBHSA-N 2 2 306.413 3.247 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](CC3CCCCC3)CC2)[nH+]c1C ZINC000628149721 401535195 /nfs/dbraw/zinc/53/51/95/401535195.db2.gz KRWPFVMFWYUNPV-UHFFFAOYSA-N 2 2 304.482 3.115 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](CC3CCCCC3)CC2)[nH+]c1C ZINC000628149721 401535197 /nfs/dbraw/zinc/53/51/97/401535197.db2.gz KRWPFVMFWYUNPV-UHFFFAOYSA-N 2 2 304.482 3.115 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000623657206 401563353 /nfs/dbraw/zinc/56/33/53/401563353.db2.gz LFSRARXGYYHAIJ-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000623657206 401563354 /nfs/dbraw/zinc/56/33/54/401563354.db2.gz LFSRARXGYYHAIJ-LLVKDONJSA-N 2 2 302.796 3.440 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2ccccc2n1 ZINC000628279381 401566500 /nfs/dbraw/zinc/56/65/00/401566500.db2.gz HWLMWAHLRIXXGQ-UHFFFAOYSA-N 2 2 300.450 3.184 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2ccccc2n1 ZINC000628279381 401566502 /nfs/dbraw/zinc/56/65/02/401566502.db2.gz HWLMWAHLRIXXGQ-UHFFFAOYSA-N 2 2 300.450 3.184 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623717465 401571597 /nfs/dbraw/zinc/57/15/97/401571597.db2.gz BYYJBKXLOKRQTC-UHFFFAOYSA-N 2 2 312.392 3.090 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000628181530 401542962 /nfs/dbraw/zinc/54/29/62/401542962.db2.gz GRHHJBQUQMSCQX-LSDHHAIUSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000628181530 401542967 /nfs/dbraw/zinc/54/29/67/401542967.db2.gz GRHHJBQUQMSCQX-LSDHHAIUSA-N 2 2 312.461 3.121 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000628182784 401544107 /nfs/dbraw/zinc/54/41/07/401544107.db2.gz IFCBAMVOFMOIQG-HNNXBMFYSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000628182784 401544111 /nfs/dbraw/zinc/54/41/11/401544111.db2.gz IFCBAMVOFMOIQG-HNNXBMFYSA-N 2 2 312.461 3.123 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000628237059 401557015 /nfs/dbraw/zinc/55/70/15/401557015.db2.gz ZRYCBOYEUKHLFG-HIFRSBDPSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000628237059 401557019 /nfs/dbraw/zinc/55/70/19/401557019.db2.gz ZRYCBOYEUKHLFG-HIFRSBDPSA-N 2 2 303.450 3.295 20 0 DGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628239017 401558174 /nfs/dbraw/zinc/55/81/74/401558174.db2.gz ZIWHPRQCOHODMN-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628239017 401558177 /nfs/dbraw/zinc/55/81/77/401558177.db2.gz ZIWHPRQCOHODMN-GOSISDBHSA-N 2 2 312.461 3.123 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239491 401558275 /nfs/dbraw/zinc/55/82/75/401558275.db2.gz TUFBYJBLHXNMFO-QRWLVFNGSA-N 2 2 320.440 3.173 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2n[nH]cc21 ZINC000628239491 401558276 /nfs/dbraw/zinc/55/82/76/401558276.db2.gz TUFBYJBLHXNMFO-QRWLVFNGSA-N 2 2 320.440 3.173 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000631822173 401558999 /nfs/dbraw/zinc/55/89/99/401558999.db2.gz VEJXDUZRRMTMMA-UHFFFAOYSA-N 2 2 313.323 3.141 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000631822173 401559001 /nfs/dbraw/zinc/55/90/01/401559001.db2.gz VEJXDUZRRMTMMA-UHFFFAOYSA-N 2 2 313.323 3.141 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839807 401560636 /nfs/dbraw/zinc/56/06/36/401560636.db2.gz LEHAAENEOLIKCZ-GRYCIOLGSA-N 2 2 308.376 3.019 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839807 401560637 /nfs/dbraw/zinc/56/06/37/401560637.db2.gz LEHAAENEOLIKCZ-GRYCIOLGSA-N 2 2 308.376 3.019 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122938 401628902 /nfs/dbraw/zinc/62/89/02/401628902.db2.gz BHMJPBZZJIIURY-SMDDNHRTSA-N 2 2 312.379 3.413 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122938 401628903 /nfs/dbraw/zinc/62/89/03/401628903.db2.gz BHMJPBZZJIIURY-SMDDNHRTSA-N 2 2 312.379 3.413 20 0 DGADLP C[C@H](Nc1[nH+]cnc2[nH]c3ccccc3c21)C1CC[NH+](C)CC1 ZINC000623969876 401607291 /nfs/dbraw/zinc/60/72/91/401607291.db2.gz XKMFJTALAJUGGR-LBPRGKRZSA-N 2 2 309.417 3.253 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cc(C)ccc1C ZINC000623991397 401609980 /nfs/dbraw/zinc/60/99/80/401609980.db2.gz GTECFNNJFNPEON-HKUYNNGSSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cc(C)ccc1C ZINC000623991397 401609981 /nfs/dbraw/zinc/60/99/81/401609981.db2.gz GTECFNNJFNPEON-HKUYNNGSSA-N 2 2 304.478 3.191 20 0 DGADLP CC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624014972 401613274 /nfs/dbraw/zinc/61/32/74/401613274.db2.gz LJIRHYYAUJEHLZ-QUCCMNQESA-N 2 2 316.489 3.241 20 0 DGADLP CCC1(C[NH2+]CCCc2[nH+]c3ccccc3n2C)CCOCC1 ZINC000358484324 286074467 /nfs/dbraw/zinc/07/44/67/286074467.db2.gz NEPBLRDRNYUQGG-UHFFFAOYSA-N 2 2 315.461 3.302 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[NH2+]1 ZINC000629396056 401683796 /nfs/dbraw/zinc/68/37/96/401683796.db2.gz IGEHAAPXCUSYFC-PBHICJAKSA-N 2 2 321.896 3.035 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000358660477 286118227 /nfs/dbraw/zinc/11/82/27/286118227.db2.gz GLGGFZPCRCTWPB-JFRXWTBNSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000358660477 286118229 /nfs/dbraw/zinc/11/82/29/286118229.db2.gz GLGGFZPCRCTWPB-JFRXWTBNSA-N 3 2 307.526 3.102 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H](C)C(F)(F)F)sc2C1 ZINC000359111454 286239759 /nfs/dbraw/zinc/23/97/59/286239759.db2.gz BMHUOBLYXJSMGL-JTQLQIEISA-N 2 2 321.412 3.198 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H](C)C(F)(F)F)sc2C1 ZINC000359111454 286239761 /nfs/dbraw/zinc/23/97/61/286239761.db2.gz BMHUOBLYXJSMGL-JTQLQIEISA-N 2 2 321.412 3.198 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C12CCCC2 ZINC000447592511 286283594 /nfs/dbraw/zinc/28/35/94/286283594.db2.gz LZCAOSWAMYKTCD-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C12CCCC2 ZINC000447592511 286283595 /nfs/dbraw/zinc/28/35/95/286283595.db2.gz LZCAOSWAMYKTCD-RCCFBDPRSA-N 2 2 306.494 3.331 20 0 DGADLP COC1(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCCC1 ZINC000359664171 286356746 /nfs/dbraw/zinc/35/67/46/286356746.db2.gz PIZDBYNEJXLHAV-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP COC1(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000359664171 286356749 /nfs/dbraw/zinc/35/67/49/286356749.db2.gz PIZDBYNEJXLHAV-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc[nH+]c(C)n2)cc1 ZINC000273339292 286372771 /nfs/dbraw/zinc/37/27/71/286372771.db2.gz SNPVFDUZKQPOLA-KRWDZBQOSA-N 2 2 312.417 3.043 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[NH+]3CC[C@H]3CCC[N@H+]3C)nc2c1 ZINC000295996503 292297955 /nfs/dbraw/zinc/29/79/55/292297955.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[NH+]3CC[C@H]3CCC[N@@H+]3C)nc2c1 ZINC000295996503 292297957 /nfs/dbraw/zinc/29/79/57/292297957.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CC[C@H]3CCC[NH+]3C)nc2c1 ZINC000295996503 292297959 /nfs/dbraw/zinc/29/79/59/292297959.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC[C@H]3CCC[NH+]3C)nc2c1 ZINC000295996503 292297962 /nfs/dbraw/zinc/29/79/62/292297962.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[NH+]3CC[C@H]3CCC[N@H+]3C)[nH]c2c1 ZINC000295996503 292297965 /nfs/dbraw/zinc/29/79/65/292297965.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[NH+]3CC[C@H]3CCC[N@@H+]3C)[nH]c2c1 ZINC000295996503 292297967 /nfs/dbraw/zinc/29/79/67/292297967.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@H+]3CC[C@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996503 292297969 /nfs/dbraw/zinc/29/79/69/292297969.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1ccc2nc([C@H]3CCC[N@@H+]3CC[C@H]3CCC[NH+]3C)[nH]c2c1 ZINC000295996503 292297972 /nfs/dbraw/zinc/29/79/72/292297972.db2.gz PLYLTPRZQPGLOG-CRAIPNDOSA-N 2 2 312.461 3.493 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3c(O)cccc31)CCC2 ZINC000360984844 286569477 /nfs/dbraw/zinc/56/94/77/286569477.db2.gz FPSYZPKDLSMHOQ-RHSMWYFYSA-N 2 2 311.429 3.442 20 0 DGADLP Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000361159447 286613034 /nfs/dbraw/zinc/61/30/34/286613034.db2.gz LWBZDLNTQPKWGB-HNNXBMFYSA-N 2 2 316.474 3.154 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000361190641 286620465 /nfs/dbraw/zinc/62/04/65/286620465.db2.gz ZJGKAZINIJXBRW-OAHLLOKOSA-N 2 2 310.388 3.251 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCc4sccc43)cn2)c[nH+]1 ZINC000361274175 286640866 /nfs/dbraw/zinc/64/08/66/286640866.db2.gz YWEBVCCAMKEKDI-OAHLLOKOSA-N 2 2 310.426 3.496 20 0 DGADLP Cc1ccc(C(=O)CC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000364360147 287018065 /nfs/dbraw/zinc/01/80/65/287018065.db2.gz IOKGHICVOZRJQK-UHFFFAOYSA-N 2 2 300.446 3.128 20 0 DGADLP Cc1ccc(C(=O)CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000364360147 287018067 /nfs/dbraw/zinc/01/80/67/287018067.db2.gz IOKGHICVOZRJQK-UHFFFAOYSA-N 2 2 300.446 3.128 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000153244657 287035445 /nfs/dbraw/zinc/03/54/45/287035445.db2.gz GTNYNKIRHWMNSL-QWHCGFSZSA-N 2 2 314.832 3.098 20 0 DGADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cnn1C(C)C ZINC000364913152 287074955 /nfs/dbraw/zinc/07/49/55/287074955.db2.gz DZCPUYFBPKUROV-CQSZACIVSA-N 2 2 324.432 3.204 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCSCC1 ZINC000187020947 165073281 /nfs/dbraw/zinc/07/32/81/165073281.db2.gz ZCHMHHKJGUUGPQ-HNNXBMFYSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCSCC1 ZINC000187055178 165075714 /nfs/dbraw/zinc/07/57/14/165075714.db2.gz AIUWSBRGLZYGRC-AWEZNQCLSA-N 2 2 301.459 3.494 20 0 DGADLP COC(=O)c1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000187661837 165099125 /nfs/dbraw/zinc/09/91/25/165099125.db2.gz WNHKZMOEOFGDDL-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000188994026 165144387 /nfs/dbraw/zinc/14/43/87/165144387.db2.gz QUTQOMPYOUHXRT-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP COc1ccc(F)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000189205625 165154031 /nfs/dbraw/zinc/15/40/31/165154031.db2.gz QFRVOKRDWULLEB-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000190697616 165213201 /nfs/dbraw/zinc/21/32/01/165213201.db2.gz LVMCEZRDYYLBTN-KRWDZBQOSA-N 2 2 312.461 3.226 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000190697616 165213203 /nfs/dbraw/zinc/21/32/03/165213203.db2.gz LVMCEZRDYYLBTN-KRWDZBQOSA-N 2 2 312.461 3.226 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000191476316 165252763 /nfs/dbraw/zinc/25/27/63/165252763.db2.gz WMXSEAXDOMTZEA-QGZVFWFLSA-N 2 2 318.461 3.327 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000191476316 165252767 /nfs/dbraw/zinc/25/27/67/165252767.db2.gz WMXSEAXDOMTZEA-QGZVFWFLSA-N 2 2 318.461 3.327 20 0 DGADLP COc1cccc(Cl)c1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000191633260 165262779 /nfs/dbraw/zinc/26/27/79/165262779.db2.gz YNEPKGHSOAWYMM-UHFFFAOYSA-N 2 2 301.777 3.286 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC000193305785 165322486 /nfs/dbraw/zinc/32/24/86/165322486.db2.gz AJDJKJCGEXZPSA-MUSFGAPCSA-N 2 2 316.445 3.124 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC000193305785 165322492 /nfs/dbraw/zinc/32/24/92/165322492.db2.gz AJDJKJCGEXZPSA-MUSFGAPCSA-N 2 2 316.445 3.124 20 0 DGADLP COc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000193323062 165322522 /nfs/dbraw/zinc/32/25/22/165322522.db2.gz YITZNPDPJUJZIZ-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000193323062 165322524 /nfs/dbraw/zinc/32/25/24/165322524.db2.gz YITZNPDPJUJZIZ-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000193873895 165335076 /nfs/dbraw/zinc/33/50/76/165335076.db2.gz HMNYDHBRSUGTLR-KRWDZBQOSA-N 2 2 324.428 3.034 20 0 DGADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000193873895 165335078 /nfs/dbraw/zinc/33/50/78/165335078.db2.gz HMNYDHBRSUGTLR-KRWDZBQOSA-N 2 2 324.428 3.034 20 0 DGADLP C=Cn1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000194317357 165342661 /nfs/dbraw/zinc/34/26/61/165342661.db2.gz FBLSMNDQXANWGH-MRXNPFEDSA-N 2 2 310.445 3.299 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cn1 ZINC000194859114 165356375 /nfs/dbraw/zinc/35/63/75/165356375.db2.gz ROHVPHMLEUJQDH-CYBMUJFWSA-N 2 2 308.385 3.132 20 0 DGADLP CCn1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000194978293 165358327 /nfs/dbraw/zinc/35/83/27/165358327.db2.gz GBPCPHOLBQPJOF-INIZCTEOSA-N 2 2 312.461 3.218 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246295009 165513274 /nfs/dbraw/zinc/51/32/74/165513274.db2.gz CQPMAVQOZNQUEO-KGLIPLIRSA-N 2 2 307.507 3.404 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246295009 165513277 /nfs/dbraw/zinc/51/32/77/165513277.db2.gz CQPMAVQOZNQUEO-KGLIPLIRSA-N 2 2 307.507 3.404 20 0 DGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CS1 ZINC000365384076 287126415 /nfs/dbraw/zinc/12/64/15/287126415.db2.gz JQFAPKYILWJKQB-LSDHHAIUSA-N 2 2 316.474 3.277 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365400748 287127903 /nfs/dbraw/zinc/12/79/03/287127903.db2.gz AQSAZQBHWQUNRI-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365400748 287127905 /nfs/dbraw/zinc/12/79/05/287127905.db2.gz AQSAZQBHWQUNRI-FUHWJXTLSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(C)c1OCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262271722 165795287 /nfs/dbraw/zinc/79/52/87/165795287.db2.gz YMTKNSASNBLUFF-UHFFFAOYSA-N 2 2 302.462 3.146 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1sccc1Cl ZINC000365520351 287141393 /nfs/dbraw/zinc/14/13/93/287141393.db2.gz YPFFCVLIGVNCQD-KWCYVHTRSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1sccc1Cl ZINC000365520351 287141397 /nfs/dbraw/zinc/14/13/97/287141397.db2.gz YPFFCVLIGVNCQD-KWCYVHTRSA-N 2 2 314.882 3.085 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358172195 165922229 /nfs/dbraw/zinc/92/22/29/165922229.db2.gz SNXIWAPURCWKEY-VQIMIIECSA-N 2 2 304.478 3.401 20 0 DGADLP FC(F)(F)c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000365798932 287173370 /nfs/dbraw/zinc/17/33/70/287173370.db2.gz VSMSOWIONOMKPT-UHFFFAOYSA-N 2 2 316.352 3.196 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000365870091 287182641 /nfs/dbraw/zinc/18/26/41/287182641.db2.gz GGNUSWOETVPNJD-NXHRZFHOSA-N 2 2 313.445 3.435 20 0 DGADLP COCc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000129041589 196013927 /nfs/dbraw/zinc/01/39/27/196013927.db2.gz LSMUZABIZQLOBN-MRXNPFEDSA-N 2 2 316.445 3.426 20 0 DGADLP COCc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000129041589 196013929 /nfs/dbraw/zinc/01/39/29/196013929.db2.gz LSMUZABIZQLOBN-MRXNPFEDSA-N 2 2 316.445 3.426 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161632 196024501 /nfs/dbraw/zinc/02/45/01/196024501.db2.gz HQOYXRGCXXMPSQ-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161632 196024504 /nfs/dbraw/zinc/02/45/04/196024504.db2.gz HQOYXRGCXXMPSQ-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161632 196024505 /nfs/dbraw/zinc/02/45/05/196024505.db2.gz HQOYXRGCXXMPSQ-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3Br)CC[C@@H]21 ZINC000129161632 196024507 /nfs/dbraw/zinc/02/45/07/196024507.db2.gz HQOYXRGCXXMPSQ-HOCLYGCPSA-N 2 2 323.278 3.365 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190490812 432162907 /nfs/dbraw/zinc/16/29/07/432162907.db2.gz HJBGFQFTMHEMFY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190490812 432162913 /nfs/dbraw/zinc/16/29/13/432162913.db2.gz HJBGFQFTMHEMFY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190490812 432162916 /nfs/dbraw/zinc/16/29/16/432162916.db2.gz HJBGFQFTMHEMFY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190490812 432162922 /nfs/dbraw/zinc/16/29/22/432162922.db2.gz HJBGFQFTMHEMFY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890742 432177583 /nfs/dbraw/zinc/17/75/83/432177583.db2.gz BLRJOIAENLWSJL-FUHWJXTLSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890742 432177586 /nfs/dbraw/zinc/17/75/86/432177586.db2.gz BLRJOIAENLWSJL-FUHWJXTLSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890742 432177588 /nfs/dbraw/zinc/17/75/88/432177588.db2.gz BLRJOIAENLWSJL-FUHWJXTLSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000246890742 432177592 /nfs/dbraw/zinc/17/75/92/432177592.db2.gz BLRJOIAENLWSJL-FUHWJXTLSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000269514052 432181350 /nfs/dbraw/zinc/18/13/50/432181350.db2.gz JLMVKPJANYTBRY-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000269514052 432181351 /nfs/dbraw/zinc/18/13/51/432181351.db2.gz JLMVKPJANYTBRY-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000269514052 432181355 /nfs/dbraw/zinc/18/13/55/432181355.db2.gz JLMVKPJANYTBRY-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000269514052 432181357 /nfs/dbraw/zinc/18/13/57/432181357.db2.gz JLMVKPJANYTBRY-QZTJIDSGSA-N 2 2 301.478 3.476 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137208881 432174180 /nfs/dbraw/zinc/17/41/80/432174180.db2.gz IZQJSDZCVJTNAQ-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137208881 432174184 /nfs/dbraw/zinc/17/41/84/432174184.db2.gz IZQJSDZCVJTNAQ-MWLCHTKSSA-N 2 2 317.658 3.272 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1F ZINC000130585932 196093138 /nfs/dbraw/zinc/09/31/38/196093138.db2.gz YEPXHKQZLFJACW-ZDUSSCGKSA-N 2 2 313.376 3.375 20 0 DGADLP Cc1cccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000130787565 196110436 /nfs/dbraw/zinc/11/04/36/196110436.db2.gz HJPIBWFVYNASIG-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000182579666 432207123 /nfs/dbraw/zinc/20/71/23/432207123.db2.gz NXUZCFOBHWLWFQ-AWEZNQCLSA-N 2 2 315.417 3.082 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000182649194 432213835 /nfs/dbraw/zinc/21/38/35/432213835.db2.gz ZZOPDWBZEMUTGW-WMZOPIPTSA-N 2 2 313.445 3.407 20 0 DGADLP COc1ccccc1CCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000182649194 432213838 /nfs/dbraw/zinc/21/38/38/432213838.db2.gz ZZOPDWBZEMUTGW-WMZOPIPTSA-N 2 2 313.445 3.407 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1OC(F)F ZINC000151154622 432225004 /nfs/dbraw/zinc/22/50/04/432225004.db2.gz JJYIDAKTTIVZAZ-NSHDSACASA-N 2 2 313.323 3.365 20 0 DGADLP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCCn1cc[nH+]c1 ZINC000182744918 432224273 /nfs/dbraw/zinc/22/42/73/432224273.db2.gz WGJHUJXZUSJCGR-UHFFFAOYSA-N 2 2 324.428 3.493 20 0 DGADLP C[N@H+](CCCc1cc(-c2ccccc2)no1)CCCn1cc[nH+]c1 ZINC000182744918 432224277 /nfs/dbraw/zinc/22/42/77/432224277.db2.gz WGJHUJXZUSJCGR-UHFFFAOYSA-N 2 2 324.428 3.493 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)oc2c1 ZINC000131917934 196210150 /nfs/dbraw/zinc/21/01/50/196210150.db2.gz ZNIIYHILORQKLY-CQSZACIVSA-N 2 2 313.332 3.015 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)oc2c1 ZINC000131917934 196210152 /nfs/dbraw/zinc/21/01/52/196210152.db2.gz ZNIIYHILORQKLY-CQSZACIVSA-N 2 2 313.332 3.015 20 0 DGADLP CCn1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000132126758 196228925 /nfs/dbraw/zinc/22/89/25/196228925.db2.gz IJSWGWTWTXTRAU-INIZCTEOSA-N 2 2 323.444 3.041 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cncc(F)c1 ZINC000132259387 196240154 /nfs/dbraw/zinc/24/01/54/196240154.db2.gz PCLZXKMAFVWCPS-HNNXBMFYSA-N 2 2 324.403 3.359 20 0 DGADLP COCCC[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297390115 227102919 /nfs/dbraw/zinc/10/29/19/227102919.db2.gz RRUXGOILMXLVPU-CYBMUJFWSA-N 2 2 307.825 3.430 20 0 DGADLP Fc1ccccc1N1CC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000291100447 222136802 /nfs/dbraw/zinc/13/68/02/222136802.db2.gz ZVIWPIWHFUVVKR-OAHLLOKOSA-N 2 2 324.403 3.090 20 0 DGADLP COc1ccc([C@H](Nc2cc[nH+]c(C)c2)c2[nH+]ccn2C)cc1 ZINC000302332770 230220156 /nfs/dbraw/zinc/22/01/56/230220156.db2.gz UQRAUTIXOLKWGG-KRWDZBQOSA-N 2 2 308.385 3.334 20 0 DGADLP CCOc1ccccc1C1=CC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000346275307 264000753 /nfs/dbraw/zinc/00/07/53/264000753.db2.gz JOMRHYBGJYDYAA-UHFFFAOYSA-N 2 2 311.429 3.380 20 0 DGADLP CCOc1ccccc1C1=CC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000346275307 264000751 /nfs/dbraw/zinc/00/07/51/264000751.db2.gz JOMRHYBGJYDYAA-UHFFFAOYSA-N 2 2 311.429 3.380 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCN1C ZINC000346326451 264011907 /nfs/dbraw/zinc/01/19/07/264011907.db2.gz HZSYDHNTYAVOCH-ONCXSQPRSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCCN1C ZINC000346326451 264011909 /nfs/dbraw/zinc/01/19/09/264011909.db2.gz HZSYDHNTYAVOCH-ONCXSQPRSA-N 2 2 315.505 3.112 20 0 DGADLP CS[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)(C)C ZINC000346334785 264013032 /nfs/dbraw/zinc/01/30/32/264013032.db2.gz OEAUBLWDLZKEEW-KRWDZBQOSA-N 2 2 321.534 3.413 20 0 DGADLP Cc1cc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)ccc1F ZINC000346449030 264034058 /nfs/dbraw/zinc/03/40/58/264034058.db2.gz CVPKNBUOPGELGP-GOSISDBHSA-N 2 2 310.376 3.105 20 0 DGADLP Cc1cc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)ccc1F ZINC000346460895 264035876 /nfs/dbraw/zinc/03/58/76/264035876.db2.gz NCYXQGCUGCBZGV-LJQANCHMSA-N 2 2 324.403 3.495 20 0 DGADLP Cc1cc([C@H]([NH2+]CCC[NH+](C)C)c2cccnc2)ccc1F ZINC000346471888 264037642 /nfs/dbraw/zinc/03/76/42/264037642.db2.gz DIYTVAGREAYRMJ-SFHVURJKSA-N 2 2 301.409 3.160 20 0 DGADLP c1ccc2sc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000346483259 264039798 /nfs/dbraw/zinc/03/97/98/264039798.db2.gz HSEBVHGFKMTCRV-AWEZNQCLSA-N 2 2 311.410 3.345 20 0 DGADLP c1ccc2sc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)nc2c1 ZINC000346483259 264039800 /nfs/dbraw/zinc/03/98/00/264039800.db2.gz HSEBVHGFKMTCRV-AWEZNQCLSA-N 2 2 311.410 3.345 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346494148 264041149 /nfs/dbraw/zinc/04/11/49/264041149.db2.gz REGGVAMRVGFSFD-KBAYOESNSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346494148 264041151 /nfs/dbraw/zinc/04/11/51/264041151.db2.gz REGGVAMRVGFSFD-KBAYOESNSA-N 2 2 304.434 3.130 20 0 DGADLP Clc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346495011 264042240 /nfs/dbraw/zinc/04/22/40/264042240.db2.gz JDVUKUAWJMBVQO-QGZVFWFLSA-N 2 2 318.804 3.267 20 0 DGADLP Clc1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346495011 264042242 /nfs/dbraw/zinc/04/22/42/264042242.db2.gz JDVUKUAWJMBVQO-QGZVFWFLSA-N 2 2 318.804 3.267 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346498823 264042791 /nfs/dbraw/zinc/04/27/91/264042791.db2.gz SVADKDLYLTUSJM-SFHVURJKSA-N 2 2 315.436 3.488 20 0 DGADLP Cc1cc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000346503816 264043757 /nfs/dbraw/zinc/04/37/57/264043757.db2.gz WLDDIOQZOOOPMJ-LJQANCHMSA-N 2 2 313.420 3.302 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346584384 264059457 /nfs/dbraw/zinc/05/94/57/264059457.db2.gz XHUAGHHXBKFEEO-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346584384 264059458 /nfs/dbraw/zinc/05/94/58/264059458.db2.gz XHUAGHHXBKFEEO-NEWSRXKRSA-N 2 2 304.478 3.300 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000346673029 264077941 /nfs/dbraw/zinc/07/79/41/264077941.db2.gz RLAREIQWWNEPOE-HIFRSBDPSA-N 2 2 314.424 3.268 20 0 DGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000346789966 264097849 /nfs/dbraw/zinc/09/78/49/264097849.db2.gz FYIBMOIMYPGFGB-HZPDHXFCSA-N 2 2 301.478 3.460 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)cs2)[C@@H](C[NH3+])C1 ZINC000346826693 264104771 /nfs/dbraw/zinc/10/47/71/264104771.db2.gz MBKHIHWFHINVCQ-IAGOWNOFSA-N 2 2 316.470 3.353 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)cs2)[C@@H](C[NH3+])C1 ZINC000346826693 264104772 /nfs/dbraw/zinc/10/47/72/264104772.db2.gz MBKHIHWFHINVCQ-IAGOWNOFSA-N 2 2 316.470 3.353 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346843574 264107444 /nfs/dbraw/zinc/10/74/44/264107444.db2.gz KHTYCCKTYULQLA-BHYNMZESSA-N 2 2 315.244 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346843574 264107445 /nfs/dbraw/zinc/10/74/45/264107445.db2.gz KHTYCCKTYULQLA-BHYNMZESSA-N 2 2 315.244 3.171 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]12 ZINC000346852197 264108860 /nfs/dbraw/zinc/10/88/60/264108860.db2.gz KDKLWOSXZQGJOC-DUFXMDAXSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]12 ZINC000346852197 264108861 /nfs/dbraw/zinc/10/88/61/264108861.db2.gz KDKLWOSXZQGJOC-DUFXMDAXSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]21 ZINC000346849962 264108898 /nfs/dbraw/zinc/10/88/98/264108898.db2.gz GWDOKYDQZVMLAD-RIEGTJTDSA-N 2 2 316.342 3.404 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@@H]21 ZINC000346849962 264108899 /nfs/dbraw/zinc/10/88/99/264108899.db2.gz GWDOKYDQZVMLAD-RIEGTJTDSA-N 2 2 316.342 3.404 20 0 DGADLP Clc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346962953 264128319 /nfs/dbraw/zinc/12/83/19/264128319.db2.gz AFSMBHMTDNEOQE-CJNGLKHVSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346962953 264128320 /nfs/dbraw/zinc/12/83/20/264128320.db2.gz AFSMBHMTDNEOQE-CJNGLKHVSA-N 2 2 310.894 3.430 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@@H]1C[NH3+] ZINC000347005076 264137924 /nfs/dbraw/zinc/13/79/24/264137924.db2.gz AXPMINRXVXZECH-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@@H]1C[NH3+] ZINC000347005076 264137926 /nfs/dbraw/zinc/13/79/26/264137926.db2.gz AXPMINRXVXZECH-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041372 264145754 /nfs/dbraw/zinc/14/57/54/264145754.db2.gz KSXRSPYDUGOFGA-IUODEOHRSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041372 264145758 /nfs/dbraw/zinc/14/57/58/264145758.db2.gz KSXRSPYDUGOFGA-IUODEOHRSA-N 2 2 316.367 3.329 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)Cc2cccs2)nc(C2CC2)[nH+]1 ZINC000347049223 264146753 /nfs/dbraw/zinc/14/67/53/264146753.db2.gz FJBGSUZXWBHOAF-UHFFFAOYSA-N 2 2 316.474 3.292 20 0 DGADLP CCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000347050697 264147630 /nfs/dbraw/zinc/14/76/30/264147630.db2.gz RCJRLRKIVJNTQK-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000347050697 264147632 /nfs/dbraw/zinc/14/76/32/264147632.db2.gz RCJRLRKIVJNTQK-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(SC)cc1OC ZINC000347093263 264155629 /nfs/dbraw/zinc/15/56/29/264155629.db2.gz GTPGIKLYHSWHOP-OCCSQVGLSA-N 2 2 324.490 3.127 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(SC)cc1OC ZINC000347093263 264155632 /nfs/dbraw/zinc/15/56/32/264155632.db2.gz GTPGIKLYHSWHOP-OCCSQVGLSA-N 2 2 324.490 3.127 20 0 DGADLP c1csc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000347101653 264156406 /nfs/dbraw/zinc/15/64/06/264156406.db2.gz LCSJRDJWXBZFBF-UHFFFAOYSA-N 2 2 316.474 3.102 20 0 DGADLP CSc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347122285 264160943 /nfs/dbraw/zinc/16/09/43/264160943.db2.gz MIHUZFKJVNJJQC-MRXNPFEDSA-N 2 2 300.427 3.457 20 0 DGADLP CSc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347122285 264160946 /nfs/dbraw/zinc/16/09/46/264160946.db2.gz MIHUZFKJVNJJQC-MRXNPFEDSA-N 2 2 300.427 3.457 20 0 DGADLP [NH3+]C[C@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347182073 264171512 /nfs/dbraw/zinc/17/15/12/264171512.db2.gz VXEQKNFZOSNANY-LLVKDONJSA-N 2 2 307.850 3.244 20 0 DGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347182073 264171514 /nfs/dbraw/zinc/17/15/14/264171514.db2.gz VXEQKNFZOSNANY-LLVKDONJSA-N 2 2 307.850 3.244 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347211461 264176668 /nfs/dbraw/zinc/17/66/68/264176668.db2.gz OSYOKAXCTWMASL-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347211461 264176669 /nfs/dbraw/zinc/17/66/69/264176669.db2.gz OSYOKAXCTWMASL-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000347362223 264206285 /nfs/dbraw/zinc/20/62/85/264206285.db2.gz OLIFSIVJOYOYSL-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000347362223 264206289 /nfs/dbraw/zinc/20/62/89/264206289.db2.gz OLIFSIVJOYOYSL-SFHVURJKSA-N 2 2 301.478 3.478 20 0 DGADLP c1ccc(COCCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347412344 264217092 /nfs/dbraw/zinc/21/70/92/264217092.db2.gz ABKROSVVNCCPLI-LJQANCHMSA-N 2 2 312.413 3.142 20 0 DGADLP c1ccc(COCCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347412344 264217094 /nfs/dbraw/zinc/21/70/94/264217094.db2.gz ABKROSVVNCCPLI-LJQANCHMSA-N 2 2 312.413 3.142 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347481249 264227652 /nfs/dbraw/zinc/22/76/52/264227652.db2.gz UMMNLJXRVODHAF-MSOLQXFVSA-N 2 2 313.445 3.451 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347481249 264227653 /nfs/dbraw/zinc/22/76/53/264227653.db2.gz UMMNLJXRVODHAF-MSOLQXFVSA-N 2 2 313.445 3.451 20 0 DGADLP C[N@H+](CCC(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000347546131 264238663 /nfs/dbraw/zinc/23/86/63/264238663.db2.gz UYTQTQZKECUUFL-UHFFFAOYSA-N 2 2 306.294 3.287 20 0 DGADLP C[N@@H+](CCC(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000347546131 264238665 /nfs/dbraw/zinc/23/86/65/264238665.db2.gz UYTQTQZKECUUFL-UHFFFAOYSA-N 2 2 306.294 3.287 20 0 DGADLP CCC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nnc2ccccn21 ZINC000347654347 264261086 /nfs/dbraw/zinc/26/10/86/264261086.db2.gz SABRIEWWWVGSCN-HOTGVXAUSA-N 2 2 315.465 3.035 20 0 DGADLP CCC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654347 264261087 /nfs/dbraw/zinc/26/10/87/264261087.db2.gz SABRIEWWWVGSCN-HOTGVXAUSA-N 2 2 315.465 3.035 20 0 DGADLP COC1CC[NH+](C2(CNc3cc(C)cc[nH+]3)CCCC2)CC1 ZINC000347715524 264272499 /nfs/dbraw/zinc/27/24/99/264272499.db2.gz FSPCFYHUCVKDGF-UHFFFAOYSA-N 2 2 303.450 3.226 20 0 DGADLP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc(C)cc[nH+]2)cc1 ZINC000347759405 264279240 /nfs/dbraw/zinc/27/92/40/264279240.db2.gz YIHYPLGRIBXWHX-SFHVURJKSA-N 2 2 311.429 3.184 20 0 DGADLP C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347766081 264280339 /nfs/dbraw/zinc/28/03/39/264280339.db2.gz DOYXXOYSHAMYDD-GFCCVEGCSA-N 2 2 305.447 3.103 20 0 DGADLP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347766081 264280340 /nfs/dbraw/zinc/28/03/40/264280340.db2.gz DOYXXOYSHAMYDD-GFCCVEGCSA-N 2 2 305.447 3.103 20 0 DGADLP Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347861915 264298166 /nfs/dbraw/zinc/29/81/66/264298166.db2.gz VQIHIWDPDRFGQG-MRXNPFEDSA-N 2 2 318.490 3.270 20 0 DGADLP Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347861915 264298168 /nfs/dbraw/zinc/29/81/68/264298168.db2.gz VQIHIWDPDRFGQG-MRXNPFEDSA-N 2 2 318.490 3.270 20 0 DGADLP CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910596 264303910 /nfs/dbraw/zinc/30/39/10/264303910.db2.gz AUQGSNOPSAVCQY-OLZOCXBDSA-N 2 2 313.536 3.311 20 0 DGADLP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347910596 264303912 /nfs/dbraw/zinc/30/39/12/264303912.db2.gz AUQGSNOPSAVCQY-OLZOCXBDSA-N 2 2 313.536 3.311 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncccc2O)cc1 ZINC000348094831 264339522 /nfs/dbraw/zinc/33/95/22/264339522.db2.gz ZRENDBWBELGCQK-ZDUSSCGKSA-N 2 2 308.385 3.132 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(F)cn1 ZINC000348106995 264342325 /nfs/dbraw/zinc/34/23/25/264342325.db2.gz QBUBSJBSXBDTLO-KBPBESRZSA-N 2 2 309.429 3.002 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(F)cn1 ZINC000348121962 264346435 /nfs/dbraw/zinc/34/64/35/264346435.db2.gz KDEAWGXUHYPAAU-IUODEOHRSA-N 2 2 311.445 3.246 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000348129398 264347133 /nfs/dbraw/zinc/34/71/33/264347133.db2.gz FNPLLRISIRHEQR-GCJKJVERSA-N 2 2 316.470 3.032 20 0 DGADLP CCc1ccc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cn1 ZINC000348185823 264359669 /nfs/dbraw/zinc/35/96/69/264359669.db2.gz KZIIJMNPYKPQCZ-SFHVURJKSA-N 2 2 324.472 3.475 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348227694 264369014 /nfs/dbraw/zinc/36/90/14/264369014.db2.gz FAVZTJQQTDZRPF-KXBFYZLASA-N 2 2 311.429 3.180 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348227694 264369017 /nfs/dbraw/zinc/36/90/17/264369017.db2.gz FAVZTJQQTDZRPF-KXBFYZLASA-N 2 2 311.429 3.180 20 0 DGADLP COCC[C@@H](Cc1ccco1)[NH2+]CCCc1c[nH+]ccc1C ZINC000348259234 264376854 /nfs/dbraw/zinc/37/68/54/264376854.db2.gz DRWVCFCQZCPBPX-KRWDZBQOSA-N 2 2 302.418 3.153 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(CC(F)(F)F)CC2)s1 ZINC000348285354 264382887 /nfs/dbraw/zinc/38/28/87/264382887.db2.gz OISDOWPDNXDKOV-UHFFFAOYSA-N 2 2 321.412 3.369 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348360628 264397162 /nfs/dbraw/zinc/39/71/62/264397162.db2.gz QKUIRBACAAGIPE-IBGZPJMESA-N 2 2 318.461 3.234 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348360628 264397163 /nfs/dbraw/zinc/39/71/63/264397163.db2.gz QKUIRBACAAGIPE-IBGZPJMESA-N 2 2 318.461 3.234 20 0 DGADLP Cc1cnc([C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000352348613 265010788 /nfs/dbraw/zinc/01/07/88/265010788.db2.gz BRPNYUHENPNKIY-CQSZACIVSA-N 2 2 301.390 3.291 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000352358800 265014246 /nfs/dbraw/zinc/01/42/46/265014246.db2.gz YDUZJAVGGIAGSC-UHFFFAOYSA-N 2 2 317.820 3.482 20 0 DGADLP CC1(C)Cc2cccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c2O1 ZINC000352365358 265018590 /nfs/dbraw/zinc/01/85/90/265018590.db2.gz QPCUCZQKZDWZSB-SFHVURJKSA-N 2 2 324.424 3.448 20 0 DGADLP CC1(C)Cc2cccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c2O1 ZINC000352365358 265018593 /nfs/dbraw/zinc/01/85/93/265018593.db2.gz QPCUCZQKZDWZSB-SFHVURJKSA-N 2 2 324.424 3.448 20 0 DGADLP CC[C@]1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452358 265055308 /nfs/dbraw/zinc/05/53/08/265055308.db2.gz FERQLIOGCCPKTG-WRWLIDTKSA-N 2 2 314.473 3.079 20 0 DGADLP CC[C@]1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)OCCc2ccccc21 ZINC000352452358 265055310 /nfs/dbraw/zinc/05/53/10/265055310.db2.gz FERQLIOGCCPKTG-WRWLIDTKSA-N 2 2 314.473 3.079 20 0 DGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352517688 265077591 /nfs/dbraw/zinc/07/75/91/265077591.db2.gz FOAROBSTPFKKFT-HNNXBMFYSA-N 2 2 317.477 3.126 20 0 DGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352517688 265077595 /nfs/dbraw/zinc/07/75/95/265077595.db2.gz FOAROBSTPFKKFT-HNNXBMFYSA-N 2 2 317.477 3.126 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)sc2c1 ZINC000352526785 265079754 /nfs/dbraw/zinc/07/97/54/265079754.db2.gz RRTOTUURGUIZOB-MRXNPFEDSA-N 2 2 305.422 3.011 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)sc2c1 ZINC000352526785 265079758 /nfs/dbraw/zinc/07/97/58/265079758.db2.gz RRTOTUURGUIZOB-MRXNPFEDSA-N 2 2 305.422 3.011 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000352544431 265084423 /nfs/dbraw/zinc/08/44/23/265084423.db2.gz AMBFZIVAANVZJQ-MRXNPFEDSA-N 2 2 319.499 3.447 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000352544431 265084426 /nfs/dbraw/zinc/08/44/26/265084426.db2.gz AMBFZIVAANVZJQ-MRXNPFEDSA-N 2 2 319.499 3.447 20 0 DGADLP CC(C)(C)OC1CC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000352558311 265089462 /nfs/dbraw/zinc/08/94/62/265089462.db2.gz WGMJSTBLGFKKIP-UHFFFAOYSA-N 2 2 313.445 3.367 20 0 DGADLP CCO[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352697654 265132681 /nfs/dbraw/zinc/13/26/81/265132681.db2.gz FEDNTWHHWVGKKF-INIZCTEOSA-N 2 2 319.474 3.072 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720653 265140395 /nfs/dbraw/zinc/14/03/95/265140395.db2.gz MJGAIVNWSTZQPZ-MAUKXSAKSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720653 265140397 /nfs/dbraw/zinc/14/03/97/265140397.db2.gz MJGAIVNWSTZQPZ-MAUKXSAKSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1nc(C)cs1 ZINC000352752992 265152330 /nfs/dbraw/zinc/15/23/30/265152330.db2.gz BPHZDXMXHNWNOD-GFCCVEGCSA-N 2 2 310.492 3.211 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2cccc(F)c2)s1 ZINC000352754777 265152970 /nfs/dbraw/zinc/15/29/70/265152970.db2.gz JUTNHAYPDZYLPL-UHFFFAOYSA-N 2 2 307.438 3.369 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]CCOC2CCCCCC2)s1 ZINC000352757084 265154101 /nfs/dbraw/zinc/15/41/01/265154101.db2.gz DJMIESFFCBFRSU-UHFFFAOYSA-N 2 2 311.495 3.034 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000352777784 265162656 /nfs/dbraw/zinc/16/26/56/265162656.db2.gz URQNTTJEHHHZRF-JXFKEZNVSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000352777784 265162659 /nfs/dbraw/zinc/16/26/59/265162659.db2.gz URQNTTJEHHHZRF-JXFKEZNVSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000352779771 265163060 /nfs/dbraw/zinc/16/30/60/265163060.db2.gz MDNUTXBIGOQQAZ-UHFFFAOYSA-N 2 2 306.413 3.179 20 0 DGADLP CCOCc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352780834 265164272 /nfs/dbraw/zinc/16/42/72/265164272.db2.gz QXODZOWHSRUVKP-UHFFFAOYSA-N 2 2 319.474 3.031 20 0 DGADLP CCC[N@H+](C)[C@@H](C[NH2+]CC1(C)COC1)c1ccc(Cl)cc1 ZINC000352923594 265232065 /nfs/dbraw/zinc/23/20/65/265232065.db2.gz IBHQLXMKEUTPFX-INIZCTEOSA-N 2 2 310.869 3.349 20 0 DGADLP CCC[N@@H+](C)[C@@H](C[NH2+]CC1(C)COC1)c1ccc(Cl)cc1 ZINC000352923594 265232068 /nfs/dbraw/zinc/23/20/68/265232068.db2.gz IBHQLXMKEUTPFX-INIZCTEOSA-N 2 2 310.869 3.349 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931198 265235906 /nfs/dbraw/zinc/23/59/06/265235906.db2.gz NCGIPODRFCYKEA-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931198 265235908 /nfs/dbraw/zinc/23/59/08/265235908.db2.gz NCGIPODRFCYKEA-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931198 265235909 /nfs/dbraw/zinc/23/59/09/265235909.db2.gz NCGIPODRFCYKEA-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)[C@@H]2C1 ZINC000352931198 265235912 /nfs/dbraw/zinc/23/59/12/265235912.db2.gz NCGIPODRFCYKEA-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042286 265278564 /nfs/dbraw/zinc/27/85/64/265278564.db2.gz ZUOYCAYIMIOZGE-RWQQGDIJSA-N 2 2 302.462 3.084 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)C1 ZINC000353042286 265278566 /nfs/dbraw/zinc/27/85/66/265278566.db2.gz ZUOYCAYIMIOZGE-RWQQGDIJSA-N 2 2 302.462 3.084 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000353128172 265308123 /nfs/dbraw/zinc/30/81/23/265308123.db2.gz QVDHDCDLYFUSJH-UHFFFAOYSA-N 2 2 306.498 3.217 20 0 DGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC1CCCC1 ZINC000422710954 533686577 /nfs/dbraw/zinc/68/65/77/533686577.db2.gz LZOPPXMDZAFFJU-WMLDXEAASA-N 2 2 318.461 3.247 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000355219243 266004123 /nfs/dbraw/zinc/00/41/23/266004123.db2.gz LQKXQVVAKNNPIE-NRFANRHFSA-N 3 2 323.484 3.434 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000355219243 266004125 /nfs/dbraw/zinc/00/41/25/266004125.db2.gz LQKXQVVAKNNPIE-NRFANRHFSA-N 3 2 323.484 3.434 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000355249678 266016091 /nfs/dbraw/zinc/01/60/91/266016091.db2.gz CXDYMNAVXZXDFI-SWLSCSKDSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000355249678 266016094 /nfs/dbraw/zinc/01/60/94/266016094.db2.gz CXDYMNAVXZXDFI-SWLSCSKDSA-N 2 2 324.350 3.380 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747023 266171523 /nfs/dbraw/zinc/17/15/23/266171523.db2.gz HAOFYEKNUWJGFU-GDBMZVCRSA-N 2 2 308.441 3.087 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000355747023 266171526 /nfs/dbraw/zinc/17/15/26/266171526.db2.gz HAOFYEKNUWJGFU-GDBMZVCRSA-N 2 2 308.441 3.087 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000355755978 266174475 /nfs/dbraw/zinc/17/44/75/266174475.db2.gz RFZNODIRIHHDHK-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000355755978 266174477 /nfs/dbraw/zinc/17/44/77/266174477.db2.gz RFZNODIRIHHDHK-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1cc(-c2ccc(F)cc2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000355755978 266174478 /nfs/dbraw/zinc/17/44/78/266174478.db2.gz RFZNODIRIHHDHK-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[NH+](Cc1cc(-c2ccc(F)cc2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355755978 266174482 /nfs/dbraw/zinc/17/44/82/266174482.db2.gz RFZNODIRIHHDHK-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000356274927 266340131 /nfs/dbraw/zinc/34/01/31/266340131.db2.gz SBLJVKPYNDECMC-YOEHRIQHSA-N 2 2 302.437 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000356274927 266340135 /nfs/dbraw/zinc/34/01/35/266340135.db2.gz SBLJVKPYNDECMC-YOEHRIQHSA-N 2 2 302.437 3.363 20 0 DGADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423211105 274880302 /nfs/dbraw/zinc/88/03/02/274880302.db2.gz XYNJWYSDRQUOOI-TVQRCGJNSA-N 2 2 315.642 3.041 20 0 DGADLP c1cn(-c2ccccc2)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n1 ZINC000191285734 432245760 /nfs/dbraw/zinc/24/57/60/432245760.db2.gz PRJWULDSWHBONJ-UHFFFAOYSA-N 2 2 324.472 3.369 20 0 DGADLP O=C(C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1cccs1 ZINC000182944926 432245419 /nfs/dbraw/zinc/24/54/19/432245419.db2.gz HFFCITGTXIGGOZ-CQSZACIVSA-N 2 2 303.431 3.072 20 0 DGADLP O=C(C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1cccs1 ZINC000182944926 432245423 /nfs/dbraw/zinc/24/54/23/432245423.db2.gz HFFCITGTXIGGOZ-CQSZACIVSA-N 2 2 303.431 3.072 20 0 DGADLP c1c[nH]c([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614099 271049971 /nfs/dbraw/zinc/04/99/71/271049971.db2.gz GZPQXYRSPNFKIF-WMLDXEAASA-N 2 2 302.466 3.105 20 0 DGADLP c1c[nH]c([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614099 271049974 /nfs/dbraw/zinc/04/99/74/271049974.db2.gz GZPQXYRSPNFKIF-WMLDXEAASA-N 2 2 302.466 3.105 20 0 DGADLP c1ccc([C@H]([NH2+]CC[NH+]2CCCCC2)C2CCOCC2)cc1 ZINC000367730095 271071950 /nfs/dbraw/zinc/07/19/50/271071950.db2.gz WKZRKHMOFWUDMT-IBGZPJMESA-N 2 2 302.462 3.230 20 0 DGADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367996559 271108864 /nfs/dbraw/zinc/10/88/64/271108864.db2.gz HWCJSMZQDAQRHD-IAGOWNOFSA-N 3 2 309.542 3.349 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC000368648237 271186148 /nfs/dbraw/zinc/18/61/48/271186148.db2.gz SBLAFIDVDXCFLJ-GPANFISMSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC000368648237 271186152 /nfs/dbraw/zinc/18/61/52/271186152.db2.gz SBLAFIDVDXCFLJ-GPANFISMSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC000368648238 271186525 /nfs/dbraw/zinc/18/65/25/271186525.db2.gz SBLAFIDVDXCFLJ-UYSNPLJNSA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC000368648238 271186529 /nfs/dbraw/zinc/18/65/29/271186529.db2.gz SBLAFIDVDXCFLJ-UYSNPLJNSA-N 2 2 318.465 3.011 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369349538 271267370 /nfs/dbraw/zinc/26/73/70/271267370.db2.gz ZLCGYVXEQXRDPO-CRAIPNDOSA-N 2 2 321.896 3.113 20 0 DGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369349538 271267373 /nfs/dbraw/zinc/26/73/73/271267373.db2.gz ZLCGYVXEQXRDPO-CRAIPNDOSA-N 2 2 321.896 3.113 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000370634996 271376108 /nfs/dbraw/zinc/37/61/08/271376108.db2.gz NKCLMAGAUMTLDH-XHSDSOJGSA-N 2 2 308.491 3.288 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000370634996 271376111 /nfs/dbraw/zinc/37/61/11/271376111.db2.gz NKCLMAGAUMTLDH-XHSDSOJGSA-N 2 2 308.491 3.288 20 0 DGADLP CC(=O)Nc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000247941953 432253580 /nfs/dbraw/zinc/25/35/80/432253580.db2.gz NORCGMQWNQPSRI-UHFFFAOYSA-N 2 2 315.461 3.095 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000247969247 432256540 /nfs/dbraw/zinc/25/65/40/432256540.db2.gz ITAZADDDOGNGJX-FUHIMQAGSA-N 2 2 316.489 3.097 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](Cc2ccccc2)C2CC2)C[C@H](C)O1 ZINC000247969247 432256544 /nfs/dbraw/zinc/25/65/44/432256544.db2.gz ITAZADDDOGNGJX-FUHIMQAGSA-N 2 2 316.489 3.097 20 0 DGADLP COCCCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280238637 274018927 /nfs/dbraw/zinc/01/89/27/274018927.db2.gz NBMULXOWWSBTEX-UHFFFAOYSA-N 2 2 301.434 3.408 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338213231 274019966 /nfs/dbraw/zinc/01/99/66/274019966.db2.gz ZEBWNJJOYAWDPN-KRWDZBQOSA-N 2 2 324.415 3.043 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000316686891 274139101 /nfs/dbraw/zinc/13/91/01/274139101.db2.gz NQLJUEHUZURHBA-CEXWTWQISA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000316686891 274139102 /nfs/dbraw/zinc/13/91/02/274139102.db2.gz NQLJUEHUZURHBA-CEXWTWQISA-N 2 2 300.446 3.289 20 0 DGADLP CS[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@H]1[NH+](C)C ZINC000342705963 274183026 /nfs/dbraw/zinc/18/30/26/274183026.db2.gz WJAVOKRIVPACSM-HUUCEWRRSA-N 2 2 321.877 3.370 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1c[nH+]ccc1N ZINC000422801131 274252731 /nfs/dbraw/zinc/25/27/31/274252731.db2.gz DRDHCEGWFSTGCY-CYBMUJFWSA-N 2 2 324.428 3.084 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)[C@H]1C[NH3+] ZINC000252690330 274291351 /nfs/dbraw/zinc/29/13/51/274291351.db2.gz UQUZNZKPHGLJFY-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)[C@H]1C[NH3+] ZINC000252690330 274291352 /nfs/dbraw/zinc/29/13/52/274291352.db2.gz UQUZNZKPHGLJFY-WBMJQRKESA-N 2 2 303.837 3.447 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000305741760 274301977 /nfs/dbraw/zinc/30/19/77/274301977.db2.gz SCUMXDPDPSRAIX-XYPHTWIQSA-N 2 2 319.836 3.153 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000305741760 274301978 /nfs/dbraw/zinc/30/19/78/274301978.db2.gz SCUMXDPDPSRAIX-XYPHTWIQSA-N 2 2 319.836 3.153 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000130654005 274849211 /nfs/dbraw/zinc/84/92/11/274849211.db2.gz HKEUPRVKYQLHNX-CQSZACIVSA-N 2 2 312.442 3.309 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CSc4ccccc43)CC2)[nH+]c1 ZINC000317313748 275067637 /nfs/dbraw/zinc/06/76/37/275067637.db2.gz VGTZETVCHXHHCG-INIZCTEOSA-N 2 2 311.454 3.487 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000450252051 275071366 /nfs/dbraw/zinc/07/13/66/275071366.db2.gz FXTUURLSKNXQLB-STQMWFEESA-N 2 2 307.401 3.150 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000450252051 275071367 /nfs/dbraw/zinc/07/13/67/275071367.db2.gz FXTUURLSKNXQLB-STQMWFEESA-N 2 2 307.401 3.150 20 0 DGADLP Brc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423231329 275373721 /nfs/dbraw/zinc/37/37/21/275373721.db2.gz GITGQMONLKLJRB-ABAIWWIYSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)([NH3+])C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414806698 275552039 /nfs/dbraw/zinc/55/20/39/275552039.db2.gz QCENHRGPYILEDX-UHFFFAOYSA-N 2 2 312.461 3.052 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000248014637 432260704 /nfs/dbraw/zinc/26/07/04/432260704.db2.gz LQFXQAKFGBGNHE-RLFYNMQTSA-N 3 2 312.461 3.314 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248014637 432260708 /nfs/dbraw/zinc/26/07/08/432260708.db2.gz LQFXQAKFGBGNHE-RLFYNMQTSA-N 3 2 312.461 3.314 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000414851024 275749802 /nfs/dbraw/zinc/74/98/02/275749802.db2.gz STOFUGXNZHVTOK-MANSERQUSA-N 2 2 314.473 3.357 20 0 DGADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000453058118 275941484 /nfs/dbraw/zinc/94/14/84/275941484.db2.gz JXEMCHCFOGUIMO-IBGZPJMESA-N 2 2 324.472 3.350 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423374062 276270868 /nfs/dbraw/zinc/27/08/68/276270868.db2.gz CGPFYCZQLNVELJ-PSASIEDQSA-N 2 2 303.269 3.086 20 0 DGADLP CCOc1ccccc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119960818 276500014 /nfs/dbraw/zinc/50/00/14/276500014.db2.gz JZMYJEATOUANOO-ZACQAIPSSA-N 2 2 320.477 3.235 20 0 DGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000290075353 276880325 /nfs/dbraw/zinc/88/03/25/276880325.db2.gz YODUFGVZYHDVGS-UHFFFAOYSA-N 2 2 316.276 3.243 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449583715 276892689 /nfs/dbraw/zinc/89/26/89/276892689.db2.gz ILPZXMPCVFGIHP-ZDUSSCGKSA-N 2 2 321.346 3.342 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124876241 277079175 /nfs/dbraw/zinc/07/91/75/277079175.db2.gz XNZJEYMWMOYHPV-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124876241 277079178 /nfs/dbraw/zinc/07/91/78/277079178.db2.gz XNZJEYMWMOYHPV-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124876241 277079179 /nfs/dbraw/zinc/07/91/79/277079179.db2.gz XNZJEYMWMOYHPV-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000124876241 277079181 /nfs/dbraw/zinc/07/91/81/277079181.db2.gz XNZJEYMWMOYHPV-ICSRJNTNSA-N 2 2 309.457 3.377 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000423326160 278184369 /nfs/dbraw/zinc/18/43/69/278184369.db2.gz MFQPMYDXHYLXQM-VQIMIIECSA-N 3 2 321.484 3.316 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422911096 278295103 /nfs/dbraw/zinc/29/51/03/278295103.db2.gz SEESQNFMZPWRIG-YOEHRIQHSA-N 2 2 322.880 3.118 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000420324025 278308970 /nfs/dbraw/zinc/30/89/70/278308970.db2.gz UXNAUDWGRKNAOY-MRXNPFEDSA-N 2 2 320.440 3.318 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000420324025 278308971 /nfs/dbraw/zinc/30/89/71/278308971.db2.gz UXNAUDWGRKNAOY-MRXNPFEDSA-N 2 2 320.440 3.318 20 0 DGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000134126991 278495898 /nfs/dbraw/zinc/49/58/98/278495898.db2.gz QLCZKCCYZQJKTK-YLJYHZDGSA-N 3 2 319.537 3.127 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccs1 ZINC000453250415 279001946 /nfs/dbraw/zinc/00/19/46/279001946.db2.gz ADQFWNDKZPPRJY-JKSUJKDBSA-N 2 2 310.507 3.272 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccs1 ZINC000453250415 279001948 /nfs/dbraw/zinc/00/19/48/279001948.db2.gz ADQFWNDKZPPRJY-JKSUJKDBSA-N 2 2 310.507 3.272 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccs1 ZINC000453250412 279192975 /nfs/dbraw/zinc/19/29/75/279192975.db2.gz ADQFWNDKZPPRJY-HOTGVXAUSA-N 2 2 310.507 3.272 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccs1 ZINC000453250412 279192977 /nfs/dbraw/zinc/19/29/77/279192977.db2.gz ADQFWNDKZPPRJY-HOTGVXAUSA-N 2 2 310.507 3.272 20 0 DGADLP CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCC[NH2+]CC1 ZINC000435393413 279243294 /nfs/dbraw/zinc/24/32/94/279243294.db2.gz ZMHZCDBGAJADHT-UONOGXRCSA-N 2 2 307.507 3.232 20 0 DGADLP CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCC[NH2+]CC1 ZINC000435393413 279243296 /nfs/dbraw/zinc/24/32/96/279243296.db2.gz ZMHZCDBGAJADHT-UONOGXRCSA-N 2 2 307.507 3.232 20 0 DGADLP C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122985239 279303429 /nfs/dbraw/zinc/30/34/29/279303429.db2.gz GCTCZWLZJHCLDK-SJORKVTESA-N 2 2 312.461 3.397 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000111241292 431199264 /nfs/dbraw/zinc/19/92/64/431199264.db2.gz SRPBIEZYOMZNOX-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000111241292 431199271 /nfs/dbraw/zinc/19/92/71/431199271.db2.gz SRPBIEZYOMZNOX-UHFFFAOYSA-N 2 2 317.477 3.048 20 0 DGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423065434 279482447 /nfs/dbraw/zinc/48/24/47/279482447.db2.gz UKUSFMKALVXFOD-CFVMTHIKSA-N 2 2 300.368 3.453 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000069710837 431214993 /nfs/dbraw/zinc/21/49/93/431214993.db2.gz RFYIXLUZLTVFTP-UHFFFAOYSA-N 2 2 317.383 3.114 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074513 431238877 /nfs/dbraw/zinc/23/88/77/431238877.db2.gz LGURBJQEYXJBSG-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074513 431238884 /nfs/dbraw/zinc/23/88/84/431238884.db2.gz LGURBJQEYXJBSG-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174324 431243186 /nfs/dbraw/zinc/24/31/86/431243186.db2.gz CANNMWKNLKFDDW-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000070174324 431243194 /nfs/dbraw/zinc/24/31/94/431243194.db2.gz CANNMWKNLKFDDW-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1Br ZINC000073852564 431385315 /nfs/dbraw/zinc/38/53/15/431385315.db2.gz BGUSDBIZLCHQJN-LBPRGKRZSA-N 2 2 308.223 3.132 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478264 431391924 /nfs/dbraw/zinc/39/19/24/431391924.db2.gz UBQKCNROBVYWHK-CHWSQXEVSA-N 2 2 311.267 3.394 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478264 431391930 /nfs/dbraw/zinc/39/19/30/431391930.db2.gz UBQKCNROBVYWHK-CHWSQXEVSA-N 2 2 311.267 3.394 20 0 DGADLP Clc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000075809205 431499517 /nfs/dbraw/zinc/49/95/17/431499517.db2.gz GVHZBVQZUOASSU-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420365112 280128454 /nfs/dbraw/zinc/12/84/54/280128454.db2.gz PVVGYULQRLSWBE-CZUORRHYSA-N 2 2 305.466 3.102 20 0 DGADLP Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)c1 ZINC000119158153 431654109 /nfs/dbraw/zinc/65/41/09/431654109.db2.gz DZVKLBWNNSAGQR-UHFFFAOYSA-N 2 2 324.428 3.048 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842969 431619385 /nfs/dbraw/zinc/61/93/85/431619385.db2.gz GSZBLWFMDCNDLC-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842969 431619388 /nfs/dbraw/zinc/61/93/88/431619388.db2.gz GSZBLWFMDCNDLC-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842969 431619392 /nfs/dbraw/zinc/61/93/92/431619392.db2.gz GSZBLWFMDCNDLC-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842969 431619398 /nfs/dbraw/zinc/61/93/98/431619398.db2.gz GSZBLWFMDCNDLC-CHWSQXEVSA-N 2 2 320.462 3.133 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000119119252 431650037 /nfs/dbraw/zinc/65/00/37/431650037.db2.gz JVIXJIPGFRCCQD-VQIMIIECSA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000119119252 431650045 /nfs/dbraw/zinc/65/00/45/431650045.db2.gz JVIXJIPGFRCCQD-VQIMIIECSA-N 2 2 312.461 3.218 20 0 DGADLP CCCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1OCC ZINC000032068445 431770570 /nfs/dbraw/zinc/77/05/70/431770570.db2.gz UWQNUGWLGQVVEW-UHFFFAOYSA-N 2 2 306.450 3.187 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000037786347 431849569 /nfs/dbraw/zinc/84/95/69/431849569.db2.gz GQOKSZIHZGHEOC-UHFFFAOYSA-N 2 2 315.255 3.395 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428517 431865763 /nfs/dbraw/zinc/86/57/63/431865763.db2.gz ILFNEEYOFYBLLC-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428517 431865765 /nfs/dbraw/zinc/86/57/65/431865765.db2.gz ILFNEEYOFYBLLC-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428517 431865768 /nfs/dbraw/zinc/86/57/68/431865768.db2.gz ILFNEEYOFYBLLC-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000089428517 431865769 /nfs/dbraw/zinc/86/57/69/431865769.db2.gz ILFNEEYOFYBLLC-WMZOPIPTSA-N 2 2 318.436 3.205 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1csc(Br)c1 ZINC000035251018 431827365 /nfs/dbraw/zinc/82/73/65/431827365.db2.gz NDXGDONHWXWVSJ-UHFFFAOYSA-N 2 2 305.285 3.332 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)C1CC[NH2+]CC1 ZINC000036301128 431836851 /nfs/dbraw/zinc/83/68/51/431836851.db2.gz UCPDLBHBWIYJQR-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)C1CC[NH2+]CC1 ZINC000036301128 431836852 /nfs/dbraw/zinc/83/68/52/431836852.db2.gz UCPDLBHBWIYJQR-UHFFFAOYSA-N 2 2 305.809 3.179 20 0 DGADLP Cc1c(Cl)c(C[N@@H+](C)C2CC[NH2+]CC2)nc2ccccc12 ZINC000036301193 431837061 /nfs/dbraw/zinc/83/70/61/431837061.db2.gz WDZLHDIAZVFDMS-UHFFFAOYSA-N 2 2 303.837 3.380 20 0 DGADLP Cc1c(Cl)c(C[N@H+](C)C2CC[NH2+]CC2)nc2ccccc12 ZINC000036301193 431837064 /nfs/dbraw/zinc/83/70/64/431837064.db2.gz WDZLHDIAZVFDMS-UHFFFAOYSA-N 2 2 303.837 3.380 20 0 DGADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000036300349 431837314 /nfs/dbraw/zinc/83/73/14/431837314.db2.gz AFFOSRAPWLASCM-UHFFFAOYSA-N 2 2 304.768 3.125 20 0 DGADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000036300349 431837319 /nfs/dbraw/zinc/83/73/19/431837319.db2.gz AFFOSRAPWLASCM-UHFFFAOYSA-N 2 2 304.768 3.125 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H](c2ccccc2)O1 ZINC000125013179 431910859 /nfs/dbraw/zinc/91/08/59/431910859.db2.gz MPMPURGHZGWXDH-PKOBYXMFSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H](c2ccccc2)O1 ZINC000125013179 431910861 /nfs/dbraw/zinc/91/08/61/431910861.db2.gz MPMPURGHZGWXDH-PKOBYXMFSA-N 2 2 302.462 3.324 20 0 DGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1csc(Br)c1 ZINC000125003588 431911235 /nfs/dbraw/zinc/91/12/35/431911235.db2.gz DZQJWUQNTYUUJH-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1csc(Br)c1 ZINC000125003588 431911237 /nfs/dbraw/zinc/91/12/37/431911237.db2.gz DZQJWUQNTYUUJH-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1csc(Br)c1 ZINC000125003588 431911240 /nfs/dbraw/zinc/91/12/40/431911240.db2.gz DZQJWUQNTYUUJH-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1csc(Br)c1 ZINC000125003588 431911242 /nfs/dbraw/zinc/91/12/42/431911242.db2.gz DZQJWUQNTYUUJH-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065856 431912679 /nfs/dbraw/zinc/91/26/79/431912679.db2.gz COXKSEXTCLDUEA-FUHWJXTLSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065856 431912681 /nfs/dbraw/zinc/91/26/81/431912681.db2.gz COXKSEXTCLDUEA-FUHWJXTLSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065856 431912683 /nfs/dbraw/zinc/91/26/83/431912683.db2.gz COXKSEXTCLDUEA-FUHWJXTLSA-N 2 2 317.477 3.210 20 0 DGADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000125065856 431912686 /nfs/dbraw/zinc/91/26/86/431912686.db2.gz COXKSEXTCLDUEA-FUHWJXTLSA-N 2 2 317.477 3.210 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000125208202 431917705 /nfs/dbraw/zinc/91/77/05/431917705.db2.gz PBXKRAZLIRDTOB-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000125208202 431917707 /nfs/dbraw/zinc/91/77/07/431917707.db2.gz PBXKRAZLIRDTOB-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CSc1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124238724 431886818 /nfs/dbraw/zinc/88/68/18/431886818.db2.gz XWZKJOKSWMKDTO-UHFFFAOYSA-N 2 2 305.447 3.006 20 0 DGADLP CSc1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124238724 431886822 /nfs/dbraw/zinc/88/68/22/431886822.db2.gz XWZKJOKSWMKDTO-UHFFFAOYSA-N 2 2 305.447 3.006 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000090004226 431888482 /nfs/dbraw/zinc/88/84/82/431888482.db2.gz JLMHEZXHENTTBO-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000090004226 431888484 /nfs/dbraw/zinc/88/84/84/431888484.db2.gz JLMHEZXHENTTBO-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1C ZINC000090721478 431894932 /nfs/dbraw/zinc/89/49/32/431894932.db2.gz UUPUBSVNZXDXGA-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[N@H+]1C ZINC000090721478 431894933 /nfs/dbraw/zinc/89/49/33/431894933.db2.gz UUPUBSVNZXDXGA-DZGCQCFKSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1nc2ccccc2n1C ZINC000091282970 431903860 /nfs/dbraw/zinc/90/38/60/431903860.db2.gz DTVPDZMDULVUGO-AWEZNQCLSA-N 2 2 319.412 3.114 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1Br ZINC000054764819 431973560 /nfs/dbraw/zinc/97/35/60/431973560.db2.gz PFINYKGQGUILDY-SECBINFHSA-N 2 2 310.195 3.032 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127691408 431978182 /nfs/dbraw/zinc/97/81/82/431978182.db2.gz AMPKAVRKIVTFCZ-UHFFFAOYSA-N 2 2 324.472 3.445 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000125521973 431928364 /nfs/dbraw/zinc/92/83/64/431928364.db2.gz FCVKTRKBPVMCAV-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000125521973 431928367 /nfs/dbraw/zinc/92/83/67/431928367.db2.gz FCVKTRKBPVMCAV-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)C[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000125521973 431928368 /nfs/dbraw/zinc/92/83/68/431928368.db2.gz FCVKTRKBPVMCAV-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)C[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000125521973 431928371 /nfs/dbraw/zinc/92/83/71/431928371.db2.gz FCVKTRKBPVMCAV-LJQANCHMSA-N 3 2 317.521 3.028 20 0 DGADLP CC(C)C[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125780340 431934946 /nfs/dbraw/zinc/93/49/46/431934946.db2.gz ZAIOHYFFPQLBFF-IRXDYDNUSA-N 2 2 300.450 3.065 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC1CCOCC1 ZINC000126325625 431947066 /nfs/dbraw/zinc/94/70/66/431947066.db2.gz GYXPSLJYJJSZFD-DLBZAZTESA-N 2 2 304.478 3.302 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC1CCOCC1 ZINC000126325625 431947069 /nfs/dbraw/zinc/94/70/69/431947069.db2.gz GYXPSLJYJJSZFD-DLBZAZTESA-N 2 2 304.478 3.302 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cn1 ZINC000126301468 431947394 /nfs/dbraw/zinc/94/73/94/431947394.db2.gz TXZLBRDUJNJCFX-SFHVURJKSA-N 2 2 322.387 3.492 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420354317 281199548 /nfs/dbraw/zinc/19/95/48/281199548.db2.gz CQOZTIBBQDJSGC-OAHLLOKOSA-N 2 2 305.466 3.020 20 0 DGADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338481 281397188 /nfs/dbraw/zinc/39/71/88/281397188.db2.gz PUJRWOBZDUECTF-CVEARBPZSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338481 281397190 /nfs/dbraw/zinc/39/71/90/281397190.db2.gz PUJRWOBZDUECTF-CVEARBPZSA-N 2 2 312.461 3.173 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191487761 432269171 /nfs/dbraw/zinc/26/91/71/432269171.db2.gz VALFWQHUMXGGDB-XJKSGUPXSA-N 2 2 306.475 3.306 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191487761 432269174 /nfs/dbraw/zinc/26/91/74/432269174.db2.gz VALFWQHUMXGGDB-XJKSGUPXSA-N 2 2 306.475 3.306 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CCOCC1)Cc1ccccc1 ZINC000151732627 432271824 /nfs/dbraw/zinc/27/18/24/432271824.db2.gz HIVVCOQFCPGONU-PXNSSMCTSA-N 2 2 318.505 3.344 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](CC)CC)[C@H]1CCOC1 ZINC000151729349 432272203 /nfs/dbraw/zinc/27/22/03/432272203.db2.gz KYVKXDUXAMLZFU-ZCNNSNEGSA-N 2 2 318.505 3.344 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248147802 432272398 /nfs/dbraw/zinc/27/23/98/432272398.db2.gz QKDYRTIACQYBLI-YTQUADARSA-N 2 2 304.478 3.038 20 0 DGADLP CCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248147802 432272401 /nfs/dbraw/zinc/27/24/01/432272401.db2.gz QKDYRTIACQYBLI-YTQUADARSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1Br ZINC000151922317 432289330 /nfs/dbraw/zinc/28/93/30/432289330.db2.gz ISVRYMBOBQUSMT-SNVBAGLBSA-N 2 2 303.219 3.191 20 0 DGADLP Cc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1C ZINC000173617910 432290194 /nfs/dbraw/zinc/29/01/94/432290194.db2.gz CAWVPIGVWSPKMN-MRXNPFEDSA-N 2 2 317.477 3.093 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000248430121 432290411 /nfs/dbraw/zinc/29/04/11/432290411.db2.gz VIDHTTDNUBVXBK-IOMROCGXSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000248430121 432290414 /nfs/dbraw/zinc/29/04/14/432290414.db2.gz VIDHTTDNUBVXBK-IOMROCGXSA-N 2 2 324.468 3.015 20 0 DGADLP C[C@H](O)[C@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)Cc1ccccc1 ZINC000191712322 432292997 /nfs/dbraw/zinc/29/29/97/432292997.db2.gz GOGJCEZRISZMDH-JXFKEZNVSA-N 2 2 323.440 3.054 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248058744 432266104 /nfs/dbraw/zinc/26/61/04/432266104.db2.gz XUFJZKYMKLMMRN-RVKKMQEKSA-N 3 2 314.477 3.053 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248058744 432266107 /nfs/dbraw/zinc/26/61/07/432266107.db2.gz XUFJZKYMKLMMRN-RVKKMQEKSA-N 3 2 314.477 3.053 20 0 DGADLP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183180490 432267749 /nfs/dbraw/zinc/26/77/49/432267749.db2.gz NLXASXZCWPYDIR-MRXNPFEDSA-N 2 2 315.392 3.007 20 0 DGADLP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183180490 432267753 /nfs/dbraw/zinc/26/77/53/432267753.db2.gz NLXASXZCWPYDIR-MRXNPFEDSA-N 2 2 315.392 3.007 20 0 DGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000152241593 432316718 /nfs/dbraw/zinc/31/67/18/432316718.db2.gz FBVPJXTZGSKQGU-SFHVURJKSA-N 2 2 311.429 3.306 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000152258300 432318019 /nfs/dbraw/zinc/31/80/19/432318019.db2.gz FDZCVZGTGHBZSG-WMQCIHAUSA-N 2 2 324.468 3.220 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000152258300 432318024 /nfs/dbraw/zinc/31/80/24/432318024.db2.gz FDZCVZGTGHBZSG-WMQCIHAUSA-N 2 2 324.468 3.220 20 0 DGADLP Cc1nc(N2CC[NH+](Cc3cc4ccccc4s3)CC2)cc[nH+]1 ZINC000183800044 432326824 /nfs/dbraw/zinc/32/68/24/432326824.db2.gz LUVUZIQMYBURCH-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000192043855 432327454 /nfs/dbraw/zinc/32/74/54/432327454.db2.gz CWCLVWGKQSPZPP-IRXDYDNUSA-N 2 2 308.853 3.246 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)on1 ZINC000249034722 432334646 /nfs/dbraw/zinc/33/46/46/432334646.db2.gz SBCBDSPPYXKUHY-NNZMDNLPSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)on1 ZINC000249034722 432334651 /nfs/dbraw/zinc/33/46/51/432334651.db2.gz SBCBDSPPYXKUHY-NNZMDNLPSA-N 2 2 311.429 3.268 20 0 DGADLP COCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000152720248 432350398 /nfs/dbraw/zinc/35/03/98/432350398.db2.gz OEFKOWVTEQEXPO-CQSZACIVSA-N 2 2 310.869 3.319 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271206675 432352745 /nfs/dbraw/zinc/35/27/45/432352745.db2.gz GKKPMAFSVVXXBC-CJNGLKHVSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271206675 432352748 /nfs/dbraw/zinc/35/27/48/432352748.db2.gz GKKPMAFSVVXXBC-CJNGLKHVSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000152742657 432353182 /nfs/dbraw/zinc/35/31/82/432353182.db2.gz HHWHJPYHLINCGK-CYBMUJFWSA-N 2 2 317.408 3.260 20 0 DGADLP CCCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834792 432306465 /nfs/dbraw/zinc/30/64/65/432306465.db2.gz WUYAVQLLXNZXCW-IEBWSBKVSA-N 2 2 304.478 3.446 20 0 DGADLP CCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834792 432306467 /nfs/dbraw/zinc/30/64/67/432306467.db2.gz WUYAVQLLXNZXCW-IEBWSBKVSA-N 2 2 304.478 3.446 20 0 DGADLP Cn1c2ccccc2[nH+]c1N1CCC(CCC[NH+](C)C)CC1 ZINC000270951010 432306899 /nfs/dbraw/zinc/30/68/99/432306899.db2.gz LZSJPJWIHMODSC-UHFFFAOYSA-N 2 2 300.450 3.132 20 0 DGADLP CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191838106 432307629 /nfs/dbraw/zinc/30/76/29/432307629.db2.gz OQLMBHYGOMAENF-RBUKOAKNSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191838106 432307633 /nfs/dbraw/zinc/30/76/33/432307633.db2.gz OQLMBHYGOMAENF-RBUKOAKNSA-N 2 2 304.478 3.446 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000251933280 432373887 /nfs/dbraw/zinc/37/38/87/432373887.db2.gz YXXXKXZHOXFODU-BXUZGUMPSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000251933280 432373890 /nfs/dbraw/zinc/37/38/90/432373890.db2.gz YXXXKXZHOXFODU-BXUZGUMPSA-N 2 2 305.809 3.164 20 0 DGADLP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000184284333 432374356 /nfs/dbraw/zinc/37/43/56/432374356.db2.gz JBQXEMKFFAXOJD-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000153156765 432387142 /nfs/dbraw/zinc/38/71/42/432387142.db2.gz XGRNCFSLQCBPFB-RYUDHWBXSA-N 2 2 302.871 3.020 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000252889217 432387594 /nfs/dbraw/zinc/38/75/94/432387594.db2.gz CQLWVVZCYOJQKG-QMTHXVAHSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000252889217 432387599 /nfs/dbraw/zinc/38/75/99/432387599.db2.gz CQLWVVZCYOJQKG-QMTHXVAHSA-N 2 2 315.230 3.018 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1)[NH+](C)C ZINC000192587195 432390865 /nfs/dbraw/zinc/39/08/65/432390865.db2.gz OLNILNJJWOTLEE-INIZCTEOSA-N 2 2 313.401 3.461 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000271457838 432399403 /nfs/dbraw/zinc/39/94/03/432399403.db2.gz GZWLPECJJVKWIY-WMLDXEAASA-N 2 2 322.880 3.462 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271460803 432400067 /nfs/dbraw/zinc/40/00/67/432400067.db2.gz GABNKRVUMATDOR-IBGZPJMESA-N 2 2 324.472 3.084 20 0 DGADLP c1[nH]nc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271460803 432400071 /nfs/dbraw/zinc/40/00/71/432400071.db2.gz GABNKRVUMATDOR-IBGZPJMESA-N 2 2 324.472 3.084 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000153337587 432400394 /nfs/dbraw/zinc/40/03/94/432400394.db2.gz AMTPLIVJBZBXNM-CABCVRRESA-N 2 2 302.418 3.052 20 0 DGADLP c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355250 432362998 /nfs/dbraw/zinc/36/29/98/432362998.db2.gz UWEDQANWFLEWJL-FQEVSTJZSA-N 2 2 310.441 3.067 20 0 DGADLP c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355250 432363003 /nfs/dbraw/zinc/36/30/03/432363003.db2.gz UWEDQANWFLEWJL-FQEVSTJZSA-N 2 2 310.441 3.067 20 0 DGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[nH+]1 ZINC000192377560 432366704 /nfs/dbraw/zinc/36/67/04/432366704.db2.gz JRAWWLNHGNWETR-LPHOPBHVSA-N 2 2 307.397 3.202 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)o1 ZINC000184752974 432429152 /nfs/dbraw/zinc/42/91/52/432429152.db2.gz CBROETYYTCJBKR-HUUCEWRRSA-N 2 2 313.445 3.229 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1c(F)cccc1Br ZINC000261553536 432431461 /nfs/dbraw/zinc/43/14/61/432431461.db2.gz NXXYTKZEEXUECM-ZDUSSCGKSA-N 2 2 303.219 3.051 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]12 ZINC000261601800 432432340 /nfs/dbraw/zinc/43/23/40/432432340.db2.gz BTXZTKUVWQTRIB-MISXGVKJSA-N 2 2 302.315 3.014 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]12 ZINC000261601800 432432343 /nfs/dbraw/zinc/43/23/43/432432343.db2.gz BTXZTKUVWQTRIB-MISXGVKJSA-N 2 2 302.315 3.014 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261579300 432433149 /nfs/dbraw/zinc/43/31/49/432433149.db2.gz PKWBQBPGHMDLQG-AGIUHOORSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261579300 432433152 /nfs/dbraw/zinc/43/31/52/432433152.db2.gz PKWBQBPGHMDLQG-AGIUHOORSA-N 2 2 309.251 3.051 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272054386 432437105 /nfs/dbraw/zinc/43/71/05/432437105.db2.gz SFXUFMFTOXSKTN-JLZZUVOBSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272054386 432437110 /nfs/dbraw/zinc/43/71/10/432437110.db2.gz SFXUFMFTOXSKTN-JLZZUVOBSA-N 2 2 304.409 3.112 20 0 DGADLP CC[NH+](CC)[C@@H](c1nc(C2([NH3+])CCCC2)no1)c1ccccc1 ZINC000261673008 432441145 /nfs/dbraw/zinc/44/11/45/432441145.db2.gz GJHGUQICIXPMHA-OAHLLOKOSA-N 2 2 314.433 3.229 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261672067 432441194 /nfs/dbraw/zinc/44/11/94/432441194.db2.gz LLFRAFQYKHRPEO-GXFFZTMASA-N 2 2 316.779 3.125 20 0 DGADLP FC(F)Oc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261672067 432441196 /nfs/dbraw/zinc/44/11/96/432441196.db2.gz LLFRAFQYKHRPEO-GXFFZTMASA-N 2 2 316.779 3.125 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000153841862 432448369 /nfs/dbraw/zinc/44/83/69/432448369.db2.gz OFBLQDOUJKSZSX-LJQANCHMSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000153841862 432448372 /nfs/dbraw/zinc/44/83/72/432448372.db2.gz OFBLQDOUJKSZSX-LJQANCHMSA-N 2 2 301.478 3.478 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000261797043 432451650 /nfs/dbraw/zinc/45/16/50/432451650.db2.gz QOZACSULHAYDEK-RBUKOAKNSA-N 2 2 319.408 3.268 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000261797043 432451655 /nfs/dbraw/zinc/45/16/55/432451655.db2.gz QOZACSULHAYDEK-RBUKOAKNSA-N 2 2 319.408 3.268 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000261814063 432452061 /nfs/dbraw/zinc/45/20/61/432452061.db2.gz SSJOPIHNACQTGM-AWEZNQCLSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000261814063 432452065 /nfs/dbraw/zinc/45/20/65/432452065.db2.gz SSJOPIHNACQTGM-AWEZNQCLSA-N 2 2 304.768 3.112 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000261831626 432453861 /nfs/dbraw/zinc/45/38/61/432453861.db2.gz JDGFDPDOTGWBDL-LRDDRELGSA-N 2 2 308.853 3.298 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000261831626 432453867 /nfs/dbraw/zinc/45/38/67/432453867.db2.gz JDGFDPDOTGWBDL-LRDDRELGSA-N 2 2 308.853 3.298 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NC(C3CC3)C3CC3)[nH+]c2)CC1 ZINC000272161004 432455725 /nfs/dbraw/zinc/45/57/25/432455725.db2.gz BTTLXWJQZAGXOF-UHFFFAOYSA-N 2 2 314.477 3.213 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@@H]1[NH3+] ZINC000262068650 432471746 /nfs/dbraw/zinc/47/17/46/432471746.db2.gz RUTHWZCBYBKECB-ABAIWWIYSA-N 2 2 306.356 3.220 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@@H]1[NH3+] ZINC000262068650 432471748 /nfs/dbraw/zinc/47/17/48/432471748.db2.gz RUTHWZCBYBKECB-ABAIWWIYSA-N 2 2 306.356 3.220 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000262095816 432473473 /nfs/dbraw/zinc/47/34/73/432473473.db2.gz IJGPVWWFWCJACF-HJZRJOMTSA-N 2 2 302.462 3.069 20 0 DGADLP CCCOc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000262115813 432475981 /nfs/dbraw/zinc/47/59/81/432475981.db2.gz KDNPOICZAXOTFB-UHFFFAOYSA-N 2 2 302.462 3.439 20 0 DGADLP CC(C)O[C@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000185194188 432476512 /nfs/dbraw/zinc/47/65/12/432476512.db2.gz GEXYCXLKLLVQJF-HOTGVXAUSA-N 2 2 301.434 3.059 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000262469774 432487685 /nfs/dbraw/zinc/48/76/85/432487685.db2.gz JDJRBTIRMOVPFE-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1C[NH3+] ZINC000262469774 432487688 /nfs/dbraw/zinc/48/76/88/432487688.db2.gz JDJRBTIRMOVPFE-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262556150 432491346 /nfs/dbraw/zinc/49/13/46/432491346.db2.gz UGMFJCMEIOYABA-GOSISDBHSA-N 2 2 313.470 3.304 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262556150 432491348 /nfs/dbraw/zinc/49/13/48/432491348.db2.gz UGMFJCMEIOYABA-GOSISDBHSA-N 2 2 313.470 3.304 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272387100 432492164 /nfs/dbraw/zinc/49/21/64/432492164.db2.gz GFZBFUDRNMXLLG-RSPOEFSDSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272387100 432492167 /nfs/dbraw/zinc/49/21/67/432492167.db2.gz GFZBFUDRNMXLLG-RSPOEFSDSA-N 3 2 315.505 3.112 20 0 DGADLP COCC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccc(C)o1 ZINC000272388652 432493175 /nfs/dbraw/zinc/49/31/75/432493175.db2.gz ZCNZXPWNTRIHQJ-INIZCTEOSA-N 2 2 313.401 3.412 20 0 DGADLP CC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000154512586 432503283 /nfs/dbraw/zinc/50/32/83/432503283.db2.gz UDEUDXMQCXDIMJ-KRWDZBQOSA-N 2 2 310.869 3.055 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@H]12 ZINC000261949735 432462936 /nfs/dbraw/zinc/46/29/36/432462936.db2.gz NTHISFWLPUBUFY-UBHAPETDSA-N 2 2 303.208 3.302 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3Cl)C[C@H]12 ZINC000261949735 432462940 /nfs/dbraw/zinc/46/29/40/432462940.db2.gz NTHISFWLPUBUFY-UBHAPETDSA-N 2 2 303.208 3.302 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011280 432464748 /nfs/dbraw/zinc/46/47/48/432464748.db2.gz MSWVHYRHKAVADM-OIISXLGYSA-N 2 2 309.523 3.203 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000154011280 432464750 /nfs/dbraw/zinc/46/47/50/432464750.db2.gz MSWVHYRHKAVADM-OIISXLGYSA-N 2 2 309.523 3.203 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000263661208 432562305 /nfs/dbraw/zinc/56/23/05/432562305.db2.gz DOSXWBBCFAAPKL-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000263661208 432562311 /nfs/dbraw/zinc/56/23/11/432562311.db2.gz DOSXWBBCFAAPKL-UHFFFAOYSA-N 2 2 312.461 3.177 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(F)cc2cccnc21 ZINC000177318169 432610350 /nfs/dbraw/zinc/61/03/50/432610350.db2.gz QHGKBVOEGWRJEF-MSOLQXFVSA-N 2 2 313.420 3.433 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(F)cc2cccnc21 ZINC000177318169 432610353 /nfs/dbraw/zinc/61/03/53/432610353.db2.gz QHGKBVOEGWRJEF-MSOLQXFVSA-N 2 2 313.420 3.433 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000177318169 432610356 /nfs/dbraw/zinc/61/03/56/432610356.db2.gz QHGKBVOEGWRJEF-MSOLQXFVSA-N 2 2 313.420 3.433 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000177318169 432610357 /nfs/dbraw/zinc/61/03/57/432610357.db2.gz QHGKBVOEGWRJEF-MSOLQXFVSA-N 2 2 313.420 3.433 20 0 DGADLP Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177363725 432616535 /nfs/dbraw/zinc/61/65/35/432616535.db2.gz UVOWNQCJMHAQSF-SFHVURJKSA-N 2 2 321.428 3.333 20 0 DGADLP Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177363725 432616539 /nfs/dbraw/zinc/61/65/39/432616539.db2.gz UVOWNQCJMHAQSF-SFHVURJKSA-N 2 2 321.428 3.333 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000194835883 432579688 /nfs/dbraw/zinc/57/96/88/432579688.db2.gz NVFPUFCJDJQKMW-JKSUJKDBSA-N 2 2 322.518 3.416 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000194835883 432579693 /nfs/dbraw/zinc/57/96/93/432579693.db2.gz NVFPUFCJDJQKMW-JKSUJKDBSA-N 2 2 322.518 3.416 20 0 DGADLP c1cc2c(nc[nH+]c2N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)[nH]1 ZINC000263809396 432579971 /nfs/dbraw/zinc/57/99/71/432579971.db2.gz SYPHAUUYVONLGK-UHFFFAOYSA-N 2 2 318.384 3.218 20 0 DGADLP CC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)[C@H]1CCOC1 ZINC000155896200 432580501 /nfs/dbraw/zinc/58/05/01/432580501.db2.gz ZOPQDUXAKQGLEK-HOTGVXAUSA-N 2 2 301.434 3.140 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C3CC3)[nH+]c12 ZINC000273413906 432594577 /nfs/dbraw/zinc/59/45/77/432594577.db2.gz IHRCDEUNXXXSGH-LLVKDONJSA-N 2 2 322.250 3.336 20 0 DGADLP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000186502502 432603161 /nfs/dbraw/zinc/60/31/61/432603161.db2.gz RNTROMMIYOKANK-ZMUQKWFASA-N 2 2 322.880 3.221 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000156686504 432603805 /nfs/dbraw/zinc/60/38/05/432603805.db2.gz BNINJAFPIVTWCY-ROUUACIJSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686504 432603811 /nfs/dbraw/zinc/60/38/11/432603811.db2.gz BNINJAFPIVTWCY-ROUUACIJSA-N 3 2 307.526 3.248 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000158516129 432647228 /nfs/dbraw/zinc/64/72/28/432647228.db2.gz SKYOJOPSCINFHH-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000158516129 432647232 /nfs/dbraw/zinc/64/72/32/432647232.db2.gz SKYOJOPSCINFHH-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000158516129 432647237 /nfs/dbraw/zinc/64/72/37/432647237.db2.gz SKYOJOPSCINFHH-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)CC[C@@H]21 ZINC000158516129 432647238 /nfs/dbraw/zinc/64/72/38/432647238.db2.gz SKYOJOPSCINFHH-HIFRSBDPSA-N 2 2 307.507 3.357 20 0 DGADLP Cc1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000302050063 282009877 /nfs/dbraw/zinc/00/98/77/282009877.db2.gz NIWKEPIHADMFGD-MRXNPFEDSA-N 2 2 314.477 3.119 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000152802633 282034048 /nfs/dbraw/zinc/03/40/48/282034048.db2.gz YBTZQBQMTOPZDA-AWEZNQCLSA-N 2 2 316.474 3.194 20 0 DGADLP Cc1nc2ccccc2n1C1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414758891 282077852 /nfs/dbraw/zinc/07/78/52/282077852.db2.gz VOBQLYUXXOTLBH-UHFFFAOYSA-N 2 2 314.477 3.370 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000226392546 432706615 /nfs/dbraw/zinc/70/66/15/432706615.db2.gz MXNHLLXDUNFRDB-UWVGGRQHSA-N 2 2 314.252 3.446 20 0 DGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCC(F)(F)F)cc1 ZINC000178220916 432708181 /nfs/dbraw/zinc/70/81/81/432708181.db2.gz MNGMKJLIMVVCAQ-GFCCVEGCSA-N 2 2 313.323 3.175 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)s1 ZINC000227213338 432710124 /nfs/dbraw/zinc/71/01/24/432710124.db2.gz WYBKMWPSKVYDNR-UHFFFAOYSA-N 2 2 305.285 3.284 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)s1 ZINC000227213338 432710129 /nfs/dbraw/zinc/71/01/29/432710129.db2.gz WYBKMWPSKVYDNR-UHFFFAOYSA-N 2 2 305.285 3.284 20 0 DGADLP CC(C)C[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000187743806 432681239 /nfs/dbraw/zinc/68/12/39/432681239.db2.gz ORBILSALNLJYMA-SFHVURJKSA-N 2 2 312.461 3.209 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000224472089 432682570 /nfs/dbraw/zinc/68/25/70/432682570.db2.gz NYBODIXASROHMM-LJQANCHMSA-N 2 2 310.441 3.216 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000224472089 432682575 /nfs/dbraw/zinc/68/25/75/432682575.db2.gz NYBODIXASROHMM-LJQANCHMSA-N 2 2 310.441 3.216 20 0 DGADLP CC[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187754816 432684022 /nfs/dbraw/zinc/68/40/22/432684022.db2.gz LTZFEMFEGLDKKR-DLBZAZTESA-N 2 2 316.424 3.102 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3cccc4cccnc43)CC2)[nH+]c1 ZINC000236747777 432762917 /nfs/dbraw/zinc/76/29/17/432762917.db2.gz GYMRWKVSQROPNP-UHFFFAOYSA-N 2 2 318.424 3.388 20 0 DGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178658607 432763091 /nfs/dbraw/zinc/76/30/91/432763091.db2.gz TYIZNRGFZBPUBF-SJKOYZFVSA-N 2 2 314.433 3.075 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000189362681 432780398 /nfs/dbraw/zinc/78/03/98/432780398.db2.gz OSQXXPISLDFAOB-UHOSZYNNSA-N 2 2 304.478 3.473 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000189362681 432780404 /nfs/dbraw/zinc/78/04/04/432780404.db2.gz OSQXXPISLDFAOB-UHOSZYNNSA-N 2 2 304.478 3.473 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000423496878 288596047 /nfs/dbraw/zinc/59/60/47/288596047.db2.gz FRZCSFXHXQIJGQ-RHSMWYFYSA-N 2 2 322.456 3.486 20 0 DGADLP COC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000178468742 432741056 /nfs/dbraw/zinc/74/10/56/432741056.db2.gz OEZSSEPXWZMQRA-UHFFFAOYSA-N 2 2 310.869 3.319 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235487322 432743920 /nfs/dbraw/zinc/74/39/20/432743920.db2.gz SUDGKNBFPHYHJU-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235487322 432743924 /nfs/dbraw/zinc/74/39/24/432743924.db2.gz SUDGKNBFPHYHJU-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[C@@H](SCc1c[nH+]cn1C)[C@H](C)SCc1c[nH+]cn1C ZINC000276604217 432822297 /nfs/dbraw/zinc/82/22/97/432822297.db2.gz QIUQXRARCVDAMZ-TXEJJXNPSA-N 2 2 310.492 3.097 20 0 DGADLP CC(C)n1ncc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cnc21 ZINC000266736758 432784123 /nfs/dbraw/zinc/78/41/23/432784123.db2.gz KYRNVQWRFIWEQF-UHFFFAOYSA-N 2 2 324.432 3.115 20 0 DGADLP CC(C)OC1CC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000189551875 432798980 /nfs/dbraw/zinc/79/89/80/432798980.db2.gz NNCSWHNZIBXPOL-MNNVXMFVSA-N 2 2 317.477 3.153 20 0 DGADLP Cc1cccc(OCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237768630 432800233 /nfs/dbraw/zinc/80/02/33/432800233.db2.gz KQTBTOGGHUKYSB-UHFFFAOYSA-N 2 2 311.429 3.027 20 0 DGADLP c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000245744351 432860485 /nfs/dbraw/zinc/86/04/85/432860485.db2.gz SFIGOZOAHCLSIL-VBUUOAMHSA-N 2 2 313.470 3.428 20 0 DGADLP c1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000245744351 432860487 /nfs/dbraw/zinc/86/04/87/432860487.db2.gz SFIGOZOAHCLSIL-VBUUOAMHSA-N 2 2 313.470 3.428 20 0 DGADLP Cc1nc(C[NH+]2CCC(CNc3cc(C)cc[nH+]3)CC2)oc1C ZINC000268362555 432866254 /nfs/dbraw/zinc/86/62/54/432866254.db2.gz XBHYWGIPGDGCDJ-UHFFFAOYSA-N 2 2 314.433 3.319 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711350 432871802 /nfs/dbraw/zinc/87/18/02/432871802.db2.gz MTDSCDFITCFIAV-OAHLLOKOSA-N 2 2 315.383 3.407 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711350 432871805 /nfs/dbraw/zinc/87/18/05/432871805.db2.gz MTDSCDFITCFIAV-OAHLLOKOSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711350 432871807 /nfs/dbraw/zinc/87/18/07/432871807.db2.gz MTDSCDFITCFIAV-OAHLLOKOSA-N 2 2 315.383 3.407 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(F)(F)F)cn1 ZINC000277711350 432871809 /nfs/dbraw/zinc/87/18/09/432871809.db2.gz MTDSCDFITCFIAV-OAHLLOKOSA-N 2 2 315.383 3.407 20 0 DGADLP Nc1[nH+]cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1Cl ZINC000278332870 432892009 /nfs/dbraw/zinc/89/20/09/432892009.db2.gz JJQWOVFLOWNRQU-JTQLQIEISA-N 2 2 323.853 3.023 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000245550873 432842722 /nfs/dbraw/zinc/84/27/22/432842722.db2.gz IHHQLAZKWAEBQG-QRVBRYPASA-N 2 2 314.473 3.056 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000245550873 432842726 /nfs/dbraw/zinc/84/27/26/432842726.db2.gz IHHQLAZKWAEBQG-QRVBRYPASA-N 2 2 314.473 3.056 20 0 DGADLP CCc1noc(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289327420 432944314 /nfs/dbraw/zinc/94/43/14/432944314.db2.gz DCULPUVNGYBJET-UHFFFAOYSA-N 2 2 315.417 3.292 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccnn1C ZINC000297159333 432966695 /nfs/dbraw/zinc/96/66/95/432966695.db2.gz CSSKSPDESPMHBE-GFCCVEGCSA-N 2 2 315.808 3.110 20 0 DGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1F ZINC000349597845 432980408 /nfs/dbraw/zinc/98/04/08/432980408.db2.gz KQOLYRQFAMKVOF-UHFFFAOYSA-N 2 2 313.829 3.287 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686627 432991909 /nfs/dbraw/zinc/99/19/09/432991909.db2.gz WPJDRDZMEPXZMC-UXLLHSPISA-N 2 2 304.482 3.114 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccn(C)n1 ZINC000349686627 432991912 /nfs/dbraw/zinc/99/19/12/432991912.db2.gz WPJDRDZMEPXZMC-UXLLHSPISA-N 2 2 304.482 3.114 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000289398420 432954508 /nfs/dbraw/zinc/95/45/08/432954508.db2.gz NOWYGUMFEXZKGR-UHFFFAOYSA-N 2 2 314.433 3.211 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)C1 ZINC000349972901 433045173 /nfs/dbraw/zinc/04/51/73/433045173.db2.gz UNPDZIIFMTYSHC-JTDSTZFVSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000290157277 433004108 /nfs/dbraw/zinc/00/41/08/433004108.db2.gz LPIIXDZMEUHCKR-AUUYWEPGSA-N 2 2 309.413 3.162 20 0 DGADLP Cc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccn2)cc1 ZINC000297659220 433004451 /nfs/dbraw/zinc/00/44/51/433004451.db2.gz NUWDRVHIVNAUAN-IBGZPJMESA-N 2 2 306.413 3.045 20 0 DGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000297681416 433006410 /nfs/dbraw/zinc/00/64/10/433006410.db2.gz PGNPPGKXUNMFAY-YJBOKZPZSA-N 2 2 313.445 3.444 20 0 DGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000297681416 433006414 /nfs/dbraw/zinc/00/64/14/433006414.db2.gz PGNPPGKXUNMFAY-YJBOKZPZSA-N 2 2 313.445 3.444 20 0 DGADLP Cc1cccn2c(CN3CCC([NH+]4CCCCC4)CC3)c[nH+]c12 ZINC000349789744 433009966 /nfs/dbraw/zinc/00/99/66/433009966.db2.gz FOPYVQGCBHJPLJ-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000341269967 433010875 /nfs/dbraw/zinc/01/08/75/433010875.db2.gz USMBERTZSHGREI-OQIJWPOYSA-N 2 2 302.462 3.227 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000341269967 433010879 /nfs/dbraw/zinc/01/08/79/433010879.db2.gz USMBERTZSHGREI-OQIJWPOYSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000341292413 433019272 /nfs/dbraw/zinc/01/92/72/433019272.db2.gz GNQYOGGPVVGFDO-UONOGXRCSA-N 2 2 310.869 3.053 20 0 DGADLP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000341304407 433021388 /nfs/dbraw/zinc/02/13/88/433021388.db2.gz PNIAOAQEGPBTCN-KGLIPLIRSA-N 2 2 310.869 3.053 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H](c2cccnc2)C2CCC2)C[C@@H](C)O1 ZINC000280397080 433045706 /nfs/dbraw/zinc/04/57/06/433045706.db2.gz XIQZATJEBMSPDL-GPMSIDNRSA-N 2 2 317.477 3.012 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000290288631 433027105 /nfs/dbraw/zinc/02/71/05/433027105.db2.gz MPVFEUMXMPQLIA-QRQLOZEOSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000290288631 433027108 /nfs/dbraw/zinc/02/71/08/433027108.db2.gz MPVFEUMXMPQLIA-QRQLOZEOSA-N 2 2 304.478 3.302 20 0 DGADLP c1cn([C@@H]2CCc3ccccc3[C@@H]2[NH2+]Cc2ccncc2)c[nH+]1 ZINC000290304262 433029474 /nfs/dbraw/zinc/02/94/74/433029474.db2.gz BODGMCUKBDOAQV-MOPGFXCFSA-N 2 2 304.397 3.297 20 0 DGADLP C[C@@H](CC1CCCCC1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000349959783 433040414 /nfs/dbraw/zinc/04/04/14/433040414.db2.gz DSNBCCKGRIJIAW-INIZCTEOSA-N 2 2 304.482 3.134 20 0 DGADLP C[C@@H]1C[C@]1([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1 ZINC000419723280 433067270 /nfs/dbraw/zinc/06/72/70/433067270.db2.gz FQMMAIFUJSGGKE-SJKOYZFVSA-N 2 2 318.852 3.164 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)CCC2 ZINC000372944711 433065720 /nfs/dbraw/zinc/06/57/20/433065720.db2.gz FQSUWLVPSQFASE-LBPRGKRZSA-N 2 2 309.335 3.276 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000453300413 433075292 /nfs/dbraw/zinc/07/52/92/433075292.db2.gz MLJXRWPIASBTEB-KRWDZBQOSA-N 2 2 324.472 3.052 20 0 DGADLP C[C@@H](Cc1cnccn1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000453300413 433075300 /nfs/dbraw/zinc/07/53/00/433075300.db2.gz MLJXRWPIASBTEB-KRWDZBQOSA-N 2 2 324.472 3.052 20 0 DGADLP COC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CCCC1 ZINC000446742636 433100120 /nfs/dbraw/zinc/10/01/20/433100120.db2.gz GZEVWORIIMXVFF-QGZVFWFLSA-N 2 2 301.434 3.140 20 0 DGADLP CO[C@@H](C)c1nc(C[NH2+]CCCc2c[nH+]ccc2C)cs1 ZINC000290530376 433083666 /nfs/dbraw/zinc/08/36/66/433083666.db2.gz YCIDVINJEYZZHQ-ZDUSSCGKSA-N 2 2 305.447 3.276 20 0 DGADLP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC000341489858 433091029 /nfs/dbraw/zinc/09/10/29/433091029.db2.gz BWBQUWADNJPKRU-GOSISDBHSA-N 2 2 322.456 3.911 20 0 DGADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341504056 433097541 /nfs/dbraw/zinc/09/75/41/433097541.db2.gz QKJUQIHVEMLLGQ-IAGOWNOFSA-N 2 2 301.478 3.462 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000373109435 433098175 /nfs/dbraw/zinc/09/81/75/433098175.db2.gz GNGDSTJDXCATRS-ZDUSSCGKSA-N 2 2 304.463 3.209 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000373109435 433098184 /nfs/dbraw/zinc/09/81/84/433098184.db2.gz GNGDSTJDXCATRS-ZDUSSCGKSA-N 2 2 304.463 3.209 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290565292 433098513 /nfs/dbraw/zinc/09/85/13/433098513.db2.gz SPQCDIMGFOILOP-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290565292 433098523 /nfs/dbraw/zinc/09/85/23/433098523.db2.gz SPQCDIMGFOILOP-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000361357198 433125417 /nfs/dbraw/zinc/12/54/17/433125417.db2.gz WFKDIEOEMBCEPB-KXBFYZLASA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000361357198 433125428 /nfs/dbraw/zinc/12/54/28/433125428.db2.gz WFKDIEOEMBCEPB-KXBFYZLASA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000361357197 433126627 /nfs/dbraw/zinc/12/66/27/433126627.db2.gz WFKDIEOEMBCEPB-HNAYVOBHSA-N 2 2 315.461 3.218 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000361357197 433126643 /nfs/dbraw/zinc/12/66/43/433126643.db2.gz WFKDIEOEMBCEPB-HNAYVOBHSA-N 2 2 315.461 3.218 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000425236781 433127921 /nfs/dbraw/zinc/12/79/21/433127921.db2.gz KHZJJEXOXZDYKB-AWEZNQCLSA-N 2 2 321.428 3.017 20 0 DGADLP [NH3+]CCCCNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000420228751 433130074 /nfs/dbraw/zinc/13/00/74/433130074.db2.gz FNRFMOWXUWQZAZ-UHFFFAOYSA-N 2 2 312.186 3.287 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]CCc2cc[nH+]cc2C)CC1 ZINC000354537458 433134295 /nfs/dbraw/zinc/13/42/95/433134295.db2.gz DURJYCDDZUPXGS-UHFFFAOYSA-N 2 2 304.434 3.034 20 0 DGADLP C[C@H]1CCC[C@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354549438 433143285 /nfs/dbraw/zinc/14/32/85/433143285.db2.gz YEGJXFFKVCWVKO-UMGGQSCQSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]1CCC[C@]1(O)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354549438 433143295 /nfs/dbraw/zinc/14/32/95/433143295.db2.gz YEGJXFFKVCWVKO-UMGGQSCQSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000361400750 433151366 /nfs/dbraw/zinc/15/13/66/433151366.db2.gz RKVAAAKOFBPCSK-CRAIPNDOSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCSCC1 ZINC000361400750 433151372 /nfs/dbraw/zinc/15/13/72/433151372.db2.gz RKVAAAKOFBPCSK-CRAIPNDOSA-N 2 2 319.518 3.025 20 0 DGADLP C[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420301761 433152807 /nfs/dbraw/zinc/15/28/07/433152807.db2.gz AWQGNWZWAWRVFW-MRXNPFEDSA-N 2 2 318.852 3.100 20 0 DGADLP C[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420301761 433152815 /nfs/dbraw/zinc/15/28/15/433152815.db2.gz AWQGNWZWAWRVFW-MRXNPFEDSA-N 2 2 318.852 3.100 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000447076662 433153146 /nfs/dbraw/zinc/15/31/46/433153146.db2.gz IJVRVHHFUGLANN-UHFFFAOYSA-N 2 2 322.359 3.025 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453342650 433105455 /nfs/dbraw/zinc/10/54/55/433105455.db2.gz IRIFLOLBOBPAQF-PBWTXFEYSA-N 2 2 301.478 3.174 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453342650 433105463 /nfs/dbraw/zinc/10/54/63/433105463.db2.gz IRIFLOLBOBPAQF-PBWTXFEYSA-N 2 2 301.478 3.174 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333808834 433109134 /nfs/dbraw/zinc/10/91/34/433109134.db2.gz IWYZQUQDBMRWRU-NJKWNDLUSA-N 3 2 319.537 3.040 20 0 DGADLP Cc1cc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341525552 433113004 /nfs/dbraw/zinc/11/30/04/433113004.db2.gz YROINZKKKUCKBM-FZKQIMNGSA-N 2 2 302.466 3.585 20 0 DGADLP CN(c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)C1CC[NH2+]CC1 ZINC000420141902 433116696 /nfs/dbraw/zinc/11/66/96/433116696.db2.gz SYNRTCXAMVOZRY-UHFFFAOYSA-N 2 2 304.482 3.260 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420302881 433155872 /nfs/dbraw/zinc/15/58/72/433155872.db2.gz JVJYSAKAMLIVJO-IBGZPJMESA-N 2 2 313.445 3.124 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000420319279 433159754 /nfs/dbraw/zinc/15/97/54/433159754.db2.gz RNZJIVXSCIMFGX-GDBMZVCRSA-N 2 2 308.853 3.311 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000420319279 433159764 /nfs/dbraw/zinc/15/97/64/433159764.db2.gz RNZJIVXSCIMFGX-GDBMZVCRSA-N 2 2 308.853 3.311 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCc4ccccc43)CC2)nc1 ZINC000341604090 433160924 /nfs/dbraw/zinc/16/09/24/433160924.db2.gz JVJJQMLPOVZWIO-GOSISDBHSA-N 2 2 321.468 3.366 20 0 DGADLP Cc1cccc(C[NH+]2CCN(Cc3c[nH+]cn3C(C)C)CC2)c1 ZINC000425323211 433161107 /nfs/dbraw/zinc/16/11/07/433161107.db2.gz KTUNFKRAIAEVBT-UHFFFAOYSA-N 2 2 312.461 3.090 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000425323237 433164301 /nfs/dbraw/zinc/16/43/01/433164301.db2.gz KWBUAIKPWVJOAS-TWGQIWQCSA-N 2 2 324.472 3.295 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000354582562 433164792 /nfs/dbraw/zinc/16/47/92/433164792.db2.gz HPAFULXFTWHQFM-LSDHHAIUSA-N 2 2 308.466 3.127 20 0 DGADLP CSC1(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCC1 ZINC000290787174 433165392 /nfs/dbraw/zinc/16/53/92/433165392.db2.gz CSPFXTADBBVUIN-OAHLLOKOSA-N 2 2 319.518 3.482 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H](c2ccco2)C1 ZINC000425330138 433165961 /nfs/dbraw/zinc/16/59/61/433165961.db2.gz AUNDNCFNBPMNKD-UKRRQHHQSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H](c2ccco2)C1 ZINC000425330138 433165969 /nfs/dbraw/zinc/16/59/69/433165969.db2.gz AUNDNCFNBPMNKD-UKRRQHHQSA-N 2 2 302.422 3.052 20 0 DGADLP CCc1ccc(-c2nc(C[N@H+](C)C3CC([NH3+])C3)cs2)cc1 ZINC000420337600 433170185 /nfs/dbraw/zinc/17/01/85/433170185.db2.gz REIDCCUFGKTKBY-UHFFFAOYSA-N 2 2 301.459 3.294 20 0 DGADLP CCc1ccc(-c2nc(C[N@@H+](C)C3CC([NH3+])C3)cs2)cc1 ZINC000420337600 433170189 /nfs/dbraw/zinc/17/01/89/433170189.db2.gz REIDCCUFGKTKBY-UHFFFAOYSA-N 2 2 301.459 3.294 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)C1CCCCC1 ZINC000420352423 433175090 /nfs/dbraw/zinc/17/50/90/433175090.db2.gz ANJPRUFXLKZBLZ-AWEZNQCLSA-N 2 2 305.447 3.400 20 0 DGADLP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420360954 433175229 /nfs/dbraw/zinc/17/52/29/433175229.db2.gz MRNWORRBFQHSGO-INIZCTEOSA-N 2 2 323.868 3.084 20 0 DGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338856 433178005 /nfs/dbraw/zinc/17/80/05/433178005.db2.gz QHBNGMGFXFIYCR-UKRRQHHQSA-N 2 2 316.424 3.003 20 0 DGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338856 433178013 /nfs/dbraw/zinc/17/80/13/433178013.db2.gz QHBNGMGFXFIYCR-UKRRQHHQSA-N 2 2 316.424 3.003 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000420365765 433181589 /nfs/dbraw/zinc/18/15/89/433181589.db2.gz LNEQZZLKWQQFAK-JMSVASOKSA-N 2 2 316.367 3.104 20 0 DGADLP Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420369500 433183385 /nfs/dbraw/zinc/18/33/85/433183385.db2.gz XPYOXLUVSVZJHL-MRXNPFEDSA-N 2 2 323.868 3.084 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713300 433183713 /nfs/dbraw/zinc/18/37/13/433183713.db2.gz MREZZPQXPKMWIN-AYOQOUSVSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000336713300 433183721 /nfs/dbraw/zinc/18/37/21/433183721.db2.gz MREZZPQXPKMWIN-AYOQOUSVSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000425345178 433185557 /nfs/dbraw/zinc/18/55/57/433185557.db2.gz VDKLNQWWWKCEKT-UHFFFAOYSA-N 2 2 314.433 3.211 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000420374575 433187921 /nfs/dbraw/zinc/18/79/21/433187921.db2.gz ODJCACODDLFKJH-JTQLQIEISA-N 2 2 303.269 3.257 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000420374575 433187928 /nfs/dbraw/zinc/18/79/28/433187928.db2.gz ODJCACODDLFKJH-JTQLQIEISA-N 2 2 303.269 3.257 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376033 433188446 /nfs/dbraw/zinc/18/84/46/433188446.db2.gz AERHPJPRENRKHJ-AEFFLSMTSA-N 2 2 311.429 3.306 20 0 DGADLP c1c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)noc1-c1ccccc1 ZINC000420376033 433188454 /nfs/dbraw/zinc/18/84/54/433188454.db2.gz AERHPJPRENRKHJ-AEFFLSMTSA-N 2 2 311.429 3.306 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336718241 433188528 /nfs/dbraw/zinc/18/85/28/433188528.db2.gz RIWREASRXMXFEC-OXJNMPFZSA-N 2 2 310.441 3.448 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000336718241 433188536 /nfs/dbraw/zinc/18/85/36/433188536.db2.gz RIWREASRXMXFEC-OXJNMPFZSA-N 2 2 310.441 3.448 20 0 DGADLP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420372462 433188724 /nfs/dbraw/zinc/18/87/24/433188724.db2.gz MJBLTIDTNVLUQC-GOSISDBHSA-N 2 2 315.392 3.056 20 0 DGADLP Fc1cccc(-c2cnc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000420372462 433188733 /nfs/dbraw/zinc/18/87/33/433188733.db2.gz MJBLTIDTNVLUQC-GOSISDBHSA-N 2 2 315.392 3.056 20 0 DGADLP c1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)co1 ZINC000420387684 433190735 /nfs/dbraw/zinc/19/07/35/433190735.db2.gz GLNXWIICQQEWIV-CZUORRHYSA-N 2 2 317.458 3.367 20 0 DGADLP c1cc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)co1 ZINC000420387684 433190742 /nfs/dbraw/zinc/19/07/42/433190742.db2.gz GLNXWIICQQEWIV-CZUORRHYSA-N 2 2 317.458 3.367 20 0 DGADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000453451711 433195333 /nfs/dbraw/zinc/19/53/33/433195333.db2.gz RRRMVNCCPNOVCP-MOPGFXCFSA-N 2 2 301.478 3.460 20 0 DGADLP CCC[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(F)cc1F ZINC000420413924 433202535 /nfs/dbraw/zinc/20/25/35/433202535.db2.gz UCNIITLQFBULMJ-CYBMUJFWSA-N 2 2 324.375 3.173 20 0 DGADLP COCC1(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000337270832 433218569 /nfs/dbraw/zinc/21/85/69/433218569.db2.gz ZZYBRSRASYIXNF-WMZOPIPTSA-N 2 2 302.462 3.228 20 0 DGADLP COCC1(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000337270832 433218580 /nfs/dbraw/zinc/21/85/80/433218580.db2.gz ZZYBRSRASYIXNF-WMZOPIPTSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1cc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)nc(C)[nH+]1 ZINC000298725017 433228134 /nfs/dbraw/zinc/22/81/34/433228134.db2.gz QGIQDZUOUNIPQX-UHFFFAOYSA-N 2 2 311.433 3.337 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000447569805 433231675 /nfs/dbraw/zinc/23/16/75/433231675.db2.gz DLBXPJLNJNEGIW-YWPYICTPSA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000447569805 433231679 /nfs/dbraw/zinc/23/16/79/433231679.db2.gz DLBXPJLNJNEGIW-YWPYICTPSA-N 2 2 311.267 3.440 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)nc1 ZINC000453609027 433232787 /nfs/dbraw/zinc/23/27/87/433232787.db2.gz ZJYCVGLSOBCKFD-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)nc1 ZINC000453609027 433232796 /nfs/dbraw/zinc/23/27/96/433232796.db2.gz ZJYCVGLSOBCKFD-RXVVDRJESA-N 2 2 323.484 3.433 20 0 DGADLP CCc1nc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc(C)[nH+]1 ZINC000341736615 433243402 /nfs/dbraw/zinc/24/34/02/433243402.db2.gz XEGUVDTUVIQPSB-JYJNAYRXSA-N 2 2 302.466 3.189 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)C[C@@H](C)O1 ZINC000341759924 433255330 /nfs/dbraw/zinc/25/53/30/433255330.db2.gz WINGTNNLFYESRO-SPYBWZPUSA-N 2 2 320.452 3.292 20 0 DGADLP C[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000414985035 289690390 /nfs/dbraw/zinc/69/03/90/289690390.db2.gz FEYRUQGHSIRGPL-SKDRFNHKSA-N 2 2 310.310 3.381 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1 ZINC000420917922 433315101 /nfs/dbraw/zinc/31/51/01/433315101.db2.gz UQMRXTMULJCQJA-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1 ZINC000420917922 433315108 /nfs/dbraw/zinc/31/51/08/433315108.db2.gz UQMRXTMULJCQJA-INIZCTEOSA-N 2 2 302.462 3.139 20 0 DGADLP CSCC[C@@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420929890 433324058 /nfs/dbraw/zinc/32/40/58/433324058.db2.gz DKJPSIABDDFHKC-MRXNPFEDSA-N 2 2 322.518 3.092 20 0 DGADLP CSCC[C@@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420929890 433324070 /nfs/dbraw/zinc/32/40/70/433324070.db2.gz DKJPSIABDDFHKC-MRXNPFEDSA-N 2 2 322.518 3.092 20 0 DGADLP COc1cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)ccc1C ZINC000447738654 433272025 /nfs/dbraw/zinc/27/20/25/433272025.db2.gz FSIUQIWGWYQKGA-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000341784470 433274956 /nfs/dbraw/zinc/27/49/56/433274956.db2.gz XSEUVIGCNCDKQJ-CYBMUJFWSA-N 2 2 322.836 3.287 20 0 DGADLP CC(C)[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCCO1 ZINC000354794651 433279811 /nfs/dbraw/zinc/27/98/11/433279811.db2.gz UJTPIGRADJFTLR-MRXNPFEDSA-N 2 2 305.447 3.181 20 0 DGADLP CC(C)[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCCO1 ZINC000354794651 433279822 /nfs/dbraw/zinc/27/98/22/433279822.db2.gz UJTPIGRADJFTLR-MRXNPFEDSA-N 2 2 305.447 3.181 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000422837048 289732385 /nfs/dbraw/zinc/73/23/85/289732385.db2.gz LCVHPNYBDNWABO-KBRIMQKVSA-N 2 2 308.441 3.270 20 0 DGADLP CSCC[C@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420929889 433325713 /nfs/dbraw/zinc/32/57/13/433325713.db2.gz DKJPSIABDDFHKC-INIZCTEOSA-N 2 2 322.518 3.092 20 0 DGADLP CSCC[C@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420929889 433325723 /nfs/dbraw/zinc/32/57/23/433325723.db2.gz DKJPSIABDDFHKC-INIZCTEOSA-N 2 2 322.518 3.092 20 0 DGADLP Cc1occc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420906985 433301159 /nfs/dbraw/zinc/30/11/59/433301159.db2.gz UMINGIQRMIZBAJ-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP Cc1occc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420906985 433301170 /nfs/dbraw/zinc/30/11/70/433301170.db2.gz UMINGIQRMIZBAJ-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931750 433326511 /nfs/dbraw/zinc/32/65/11/433326511.db2.gz GYCDUEYAQZZKJK-LPHOPBHVSA-N 2 2 302.462 3.282 20 0 DGADLP CC(C)[C@@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835184 433307464 /nfs/dbraw/zinc/30/74/64/433307464.db2.gz MWIOFUNLBFKXSV-MJGOQNOKSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835184 433307472 /nfs/dbraw/zinc/30/74/72/433307472.db2.gz MWIOFUNLBFKXSV-MJGOQNOKSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835184 433307481 /nfs/dbraw/zinc/30/74/81/433307481.db2.gz MWIOFUNLBFKXSV-MJGOQNOKSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835184 433307489 /nfs/dbraw/zinc/30/74/89/433307489.db2.gz MWIOFUNLBFKXSV-MJGOQNOKSA-N 2 2 304.478 3.254 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000448020657 433347622 /nfs/dbraw/zinc/34/76/22/433347622.db2.gz DCBSDXXTZIXPDJ-BQFCYCMXSA-N 2 2 318.509 3.156 20 0 DGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000448020657 433347628 /nfs/dbraw/zinc/34/76/28/433347628.db2.gz DCBSDXXTZIXPDJ-BQFCYCMXSA-N 2 2 318.509 3.156 20 0 DGADLP Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420963732 433358105 /nfs/dbraw/zinc/35/81/05/433358105.db2.gz MIKASAILHONACJ-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP Cc1ccc2c(c1)C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420963732 433358115 /nfs/dbraw/zinc/35/81/15/433358115.db2.gz MIKASAILHONACJ-UHFFFAOYSA-N 2 2 322.452 3.343 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420973407 433360328 /nfs/dbraw/zinc/36/03/28/433360328.db2.gz NDRVVTLIDSGWHP-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420973407 433360333 /nfs/dbraw/zinc/36/03/33/433360333.db2.gz NDRVVTLIDSGWHP-MRXNPFEDSA-N 2 2 302.462 3.139 20 0 DGADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO[C@@H]1C1CC1 ZINC000375119726 433366085 /nfs/dbraw/zinc/36/60/85/433366085.db2.gz FNPBSNISFCGMRH-RTBURBONSA-N 2 2 311.429 3.167 20 0 DGADLP CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931750 433326519 /nfs/dbraw/zinc/32/65/19/433326519.db2.gz GYCDUEYAQZZKJK-LPHOPBHVSA-N 2 2 302.462 3.282 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885717 433334123 /nfs/dbraw/zinc/33/41/23/433334123.db2.gz FZCACZPFVUTRPU-DOMZBBRYSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885717 433334136 /nfs/dbraw/zinc/33/41/36/433334136.db2.gz FZCACZPFVUTRPU-DOMZBBRYSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885717 433334146 /nfs/dbraw/zinc/33/41/46/433334146.db2.gz FZCACZPFVUTRPU-DOMZBBRYSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)C[C@H]1C ZINC000341885717 433334156 /nfs/dbraw/zinc/33/41/56/433334156.db2.gz FZCACZPFVUTRPU-DOMZBBRYSA-N 2 2 315.383 3.405 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890654 433342570 /nfs/dbraw/zinc/34/25/70/433342570.db2.gz MRNNJMWXDHHFTQ-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890654 433342581 /nfs/dbraw/zinc/34/25/81/433342581.db2.gz MRNNJMWXDHHFTQ-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890654 433342594 /nfs/dbraw/zinc/34/25/94/433342594.db2.gz MRNNJMWXDHHFTQ-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC000341890654 433342601 /nfs/dbraw/zinc/34/26/01/433342601.db2.gz MRNNJMWXDHHFTQ-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@H+](C/C=C/c1ccncc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000426152173 433426588 /nfs/dbraw/zinc/42/65/88/433426588.db2.gz ZHVVBPLKJASGSY-UVEXCMSLSA-N 2 2 322.456 3.115 20 0 DGADLP C[N@@H+](C/C=C/c1ccncc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000426152173 433426596 /nfs/dbraw/zinc/42/65/96/433426596.db2.gz ZHVVBPLKJASGSY-UVEXCMSLSA-N 2 2 322.456 3.115 20 0 DGADLP C[NH+](C/C=C/c1ccncc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000426152173 433426604 /nfs/dbraw/zinc/42/66/04/433426604.db2.gz ZHVVBPLKJASGSY-UVEXCMSLSA-N 2 2 322.456 3.115 20 0 DGADLP C[NH+](C/C=C/c1ccncc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000426152173 433426611 /nfs/dbraw/zinc/42/66/11/433426611.db2.gz ZHVVBPLKJASGSY-UVEXCMSLSA-N 2 2 322.456 3.115 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000351227595 433427291 /nfs/dbraw/zinc/42/72/91/433427291.db2.gz GGAWLBBHQASKGT-BZPMIXESSA-N 2 2 300.406 3.298 20 0 DGADLP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1)C[NH+](C)C ZINC000425935192 433378889 /nfs/dbraw/zinc/37/88/89/433378889.db2.gz HERMVMLQQFCUKU-KDOFPFPSSA-N 2 2 301.409 3.097 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC1(C)C ZINC000414076903 433381235 /nfs/dbraw/zinc/38/12/35/433381235.db2.gz QRMUDZFTJFRPTC-QZTJIDSGSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448355972 433390257 /nfs/dbraw/zinc/39/02/57/433390257.db2.gz QNWVDMJAEDGLMY-MAUKXSAKSA-N 2 2 304.478 3.423 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448355972 433390265 /nfs/dbraw/zinc/39/02/65/433390265.db2.gz QNWVDMJAEDGLMY-MAUKXSAKSA-N 2 2 304.478 3.423 20 0 DGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@H]1C[C@@H]1C ZINC000414095110 433393627 /nfs/dbraw/zinc/39/36/27/433393627.db2.gz JKUHHVWXVAGEFU-HJWJTTGWSA-N 2 2 302.466 3.068 20 0 DGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000281820758 433393629 /nfs/dbraw/zinc/39/36/29/433393629.db2.gz ZPIAGAXVVKPBJU-DLBZAZTESA-N 2 2 301.478 3.490 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000414205646 433462047 /nfs/dbraw/zinc/46/20/47/433462047.db2.gz HNEZJWYGGOVGQN-ACDBMABISA-N 2 2 324.472 3.188 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000414205646 433462053 /nfs/dbraw/zinc/46/20/53/433462053.db2.gz HNEZJWYGGOVGQN-ACDBMABISA-N 2 2 324.472 3.188 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201288 290030369 /nfs/dbraw/zinc/03/03/69/290030369.db2.gz WUINQMQUYBEKRE-JYYAWHABSA-N 2 2 302.466 3.132 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201288 290030372 /nfs/dbraw/zinc/03/03/72/290030372.db2.gz WUINQMQUYBEKRE-JYYAWHABSA-N 2 2 302.466 3.132 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCCc3ccccc32)CCSC1 ZINC000361969335 433475015 /nfs/dbraw/zinc/47/50/15/433475015.db2.gz BAUAGQASUXPMIA-MSOLQXFVSA-N 2 2 304.503 3.481 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351342926 433478941 /nfs/dbraw/zinc/47/89/41/433478941.db2.gz SNTNWLSISLKDFR-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351342926 433478947 /nfs/dbraw/zinc/47/89/47/433478947.db2.gz SNTNWLSISLKDFR-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351342926 433478958 /nfs/dbraw/zinc/47/89/58/433478958.db2.gz SNTNWLSISLKDFR-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](Cc1cccc(Cl)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351342926 433478965 /nfs/dbraw/zinc/47/89/65/433478965.db2.gz SNTNWLSISLKDFR-QGZVFWFLSA-N 2 2 310.869 3.006 20 0 DGADLP CCc1nocc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351347372 433482117 /nfs/dbraw/zinc/48/21/17/433482117.db2.gz ABUVYLUDCHDIGE-INIZCTEOSA-N 2 2 305.466 3.325 20 0 DGADLP CCc1nocc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351347372 433482128 /nfs/dbraw/zinc/48/21/28/433482128.db2.gz ABUVYLUDCHDIGE-INIZCTEOSA-N 2 2 305.466 3.325 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000414279732 433510507 /nfs/dbraw/zinc/51/05/07/433510507.db2.gz JSKAAFHCOYMXOL-WCWVYFQPSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000414279732 433510512 /nfs/dbraw/zinc/51/05/12/433510512.db2.gz JSKAAFHCOYMXOL-WCWVYFQPSA-N 2 2 302.462 3.225 20 0 DGADLP c1ccc(NCCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[nH+]c1 ZINC000282150412 433511544 /nfs/dbraw/zinc/51/15/44/433511544.db2.gz COVVOLMYIQGQBI-AWEZNQCLSA-N 2 2 306.413 3.122 20 0 DGADLP CCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000301363144 433521986 /nfs/dbraw/zinc/52/19/86/433521986.db2.gz MWPGPBCBDBAATE-UHFFFAOYSA-N 2 2 316.474 3.040 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488794 433525799 /nfs/dbraw/zinc/52/57/99/433525799.db2.gz GOCKVKKKMSOKTI-XJKSGUPXSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488794 433525806 /nfs/dbraw/zinc/52/58/06/433525806.db2.gz GOCKVKKKMSOKTI-XJKSGUPXSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccccc1Cl)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351488794 433525817 /nfs/dbraw/zinc/52/58/17/433525817.db2.gz GOCKVKKKMSOKTI-XJKSGUPXSA-N 2 2 322.880 3.321 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000414303718 433528618 /nfs/dbraw/zinc/52/86/18/433528618.db2.gz LXPRSBAESPSYDD-BQFCYCMXSA-N 2 2 302.462 3.197 20 0 DGADLP COC1([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000414303718 433528622 /nfs/dbraw/zinc/52/86/22/433528622.db2.gz LXPRSBAESPSYDD-BQFCYCMXSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292268841 433531342 /nfs/dbraw/zinc/53/13/42/433531342.db2.gz ZJSLBIQMHZMGFG-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292268841 433531350 /nfs/dbraw/zinc/53/13/50/433531350.db2.gz ZJSLBIQMHZMGFG-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292268841 433531357 /nfs/dbraw/zinc/53/13/57/433531357.db2.gz ZJSLBIQMHZMGFG-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292268841 433531364 /nfs/dbraw/zinc/53/13/64/433531364.db2.gz ZJSLBIQMHZMGFG-KRWDZBQOSA-N 2 2 317.458 3.239 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c[nH+]1 ZINC000351492574 433531709 /nfs/dbraw/zinc/53/17/09/433531709.db2.gz MCFBSIWYYNHDNO-INIZCTEOSA-N 2 2 313.449 3.162 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)C[NH+]1CCOCC1 ZINC000339274496 433488803 /nfs/dbraw/zinc/48/88/03/433488803.db2.gz NUWYOEXNCKILOM-INIZCTEOSA-N 2 2 302.462 3.012 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000414258846 433492715 /nfs/dbraw/zinc/49/27/15/433492715.db2.gz MFJIFQRIFVZYDV-JSGCOSHPSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000414258846 433492724 /nfs/dbraw/zinc/49/27/24/433492724.db2.gz MFJIFQRIFVZYDV-JSGCOSHPSA-N 2 2 311.267 3.330 20 0 DGADLP C[C@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@H](C)[NH+]1CCOCC1 ZINC000301292769 433493972 /nfs/dbraw/zinc/49/39/72/433493972.db2.gz QUOADCUNRPOAPZ-STQMWFEESA-N 2 2 319.836 3.409 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4CCC[C@H]43)C2)cc1 ZINC000342157241 433505752 /nfs/dbraw/zinc/50/57/52/433505752.db2.gz FTLAUTGIXRMZNA-SLFFLAALSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4CCC[C@H]43)C2)cc1 ZINC000342157241 433505760 /nfs/dbraw/zinc/50/57/60/433505760.db2.gz FTLAUTGIXRMZNA-SLFFLAALSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H]4CCC[C@H]43)C2)cc1 ZINC000342157241 433505776 /nfs/dbraw/zinc/50/57/76/433505776.db2.gz FTLAUTGIXRMZNA-SLFFLAALSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H]4CCC[C@H]43)C2)cc1 ZINC000342157241 433505783 /nfs/dbraw/zinc/50/57/83/433505783.db2.gz FTLAUTGIXRMZNA-SLFFLAALSA-N 2 2 314.473 3.152 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000339292868 433507663 /nfs/dbraw/zinc/50/76/63/433507663.db2.gz BGVMFCSELCSTTD-LUKYLMHMSA-N 2 2 322.493 3.103 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000339292868 433507673 /nfs/dbraw/zinc/50/76/73/433507673.db2.gz BGVMFCSELCSTTD-LUKYLMHMSA-N 2 2 322.493 3.103 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)n1C ZINC000414338068 433550477 /nfs/dbraw/zinc/55/04/77/433550477.db2.gz YFKDDDOZWKFJRV-KRWDZBQOSA-N 2 2 312.461 3.388 20 0 DGADLP C[C@@H](C1CC1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742140 433552217 /nfs/dbraw/zinc/55/22/17/433552217.db2.gz HPZUVKKDSNZUQK-QFBILLFUSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375742140 433552230 /nfs/dbraw/zinc/55/22/30/433552230.db2.gz HPZUVKKDSNZUQK-QFBILLFUSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](C1CC1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375742140 433552240 /nfs/dbraw/zinc/55/22/40/433552240.db2.gz HPZUVKKDSNZUQK-QFBILLFUSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H](C1CC1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375742140 433552251 /nfs/dbraw/zinc/55/22/51/433552251.db2.gz HPZUVKKDSNZUQK-QFBILLFUSA-N 2 2 302.462 3.008 20 0 DGADLP Cc1nc(NC2CC[NH+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301432386 433553151 /nfs/dbraw/zinc/55/31/51/433553151.db2.gz KLJICEMNEHWYGK-UHFFFAOYSA-N 2 2 310.445 3.478 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccnc1 ZINC000414343130 433555901 /nfs/dbraw/zinc/55/59/01/433555901.db2.gz XYAQLUDMCFSOLK-UHFFFAOYSA-N 2 2 324.472 3.008 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000414342272 433556262 /nfs/dbraw/zinc/55/62/62/433556262.db2.gz MHJMIONHDLOMHK-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000414342272 433556270 /nfs/dbraw/zinc/55/62/70/433556270.db2.gz MHJMIONHDLOMHK-IUODEOHRSA-N 2 2 300.368 3.320 20 0 DGADLP Cc1nc([C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000351541744 433561235 /nfs/dbraw/zinc/56/12/35/433561235.db2.gz XZJJJJKHTKFTIP-HUUCEWRRSA-N 2 2 320.481 3.416 20 0 DGADLP Cc1nc([C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000351541744 433561245 /nfs/dbraw/zinc/56/12/45/433561245.db2.gz XZJJJJKHTKFTIP-HUUCEWRRSA-N 2 2 320.481 3.416 20 0 DGADLP CCCc1csc(C[N@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000339406992 433564004 /nfs/dbraw/zinc/56/40/04/433564004.db2.gz IWHOZBAYJWCUNR-UHFFFAOYSA-N 2 2 303.475 3.447 20 0 DGADLP CCCc1csc(C[N@@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000339406992 433564014 /nfs/dbraw/zinc/56/40/14/433564014.db2.gz IWHOZBAYJWCUNR-UHFFFAOYSA-N 2 2 303.475 3.447 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1F ZINC000414356040 433565434 /nfs/dbraw/zinc/56/54/34/433565434.db2.gz DCVUZICNAQUWFM-OAHLLOKOSA-N 2 2 308.376 3.005 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000414360259 433566519 /nfs/dbraw/zinc/56/65/19/433566519.db2.gz QMCWZMHXUKWMEX-PBHICJAKSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1 ZINC000414360259 433566529 /nfs/dbraw/zinc/56/65/29/433566529.db2.gz QMCWZMHXUKWMEX-PBHICJAKSA-N 2 2 316.474 3.019 20 0 DGADLP c1cc2c(cccc2CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)[nH]1 ZINC000351550689 433567320 /nfs/dbraw/zinc/56/73/20/433567320.db2.gz OCHOFUSLKQYDQN-UHFFFAOYSA-N 2 2 303.369 3.420 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3Br)C2)C1 ZINC000339430786 433578402 /nfs/dbraw/zinc/57/84/02/433578402.db2.gz NIBWLLPBXTYZLP-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3Br)C2)C1 ZINC000339430786 433578414 /nfs/dbraw/zinc/57/84/14/433578414.db2.gz NIBWLLPBXTYZLP-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3Br)C2)C1 ZINC000339430786 433578429 /nfs/dbraw/zinc/57/84/29/433578429.db2.gz NIBWLLPBXTYZLP-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3Br)C2)C1 ZINC000339430786 433578439 /nfs/dbraw/zinc/57/84/39/433578439.db2.gz NIBWLLPBXTYZLP-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280356 433584055 /nfs/dbraw/zinc/58/40/55/433584055.db2.gz HKGABYIOPXAOPO-DYVFJYSZSA-N 2 2 311.385 3.010 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000342280356 433584064 /nfs/dbraw/zinc/58/40/64/433584064.db2.gz HKGABYIOPXAOPO-DYVFJYSZSA-N 2 2 311.385 3.010 20 0 DGADLP CCc1noc(C)c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000339437944 433584448 /nfs/dbraw/zinc/58/44/48/433584448.db2.gz RFNKRVDCZFVBLT-UHFFFAOYSA-N 2 2 319.371 3.052 20 0 DGADLP FC1(F)Oc2cccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2O1 ZINC000414386896 433587206 /nfs/dbraw/zinc/58/72/06/433587206.db2.gz YELWMGACFAKUAG-UHFFFAOYSA-N 2 2 321.327 3.042 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Cl)c1 ZINC000339440979 433587317 /nfs/dbraw/zinc/58/73/17/433587317.db2.gz LQXAWMWDNIQTNJ-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Cl)c1 ZINC000339440979 433587325 /nfs/dbraw/zinc/58/73/25/433587325.db2.gz LQXAWMWDNIQTNJ-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(Cl)c1 ZINC000339440979 433587336 /nfs/dbraw/zinc/58/73/36/433587336.db2.gz LQXAWMWDNIQTNJ-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Cl)c1 ZINC000339440979 433587345 /nfs/dbraw/zinc/58/73/45/433587345.db2.gz LQXAWMWDNIQTNJ-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+]1C1CCCCC1 ZINC000376002843 433638331 /nfs/dbraw/zinc/63/83/31/433638331.db2.gz GBMAWTRUMGFLQT-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+]1C1CCCCC1 ZINC000376002843 433638340 /nfs/dbraw/zinc/63/83/40/433638340.db2.gz GBMAWTRUMGFLQT-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000376002843 433638349 /nfs/dbraw/zinc/63/83/49/433638349.db2.gz GBMAWTRUMGFLQT-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000376002843 433638357 /nfs/dbraw/zinc/63/83/57/433638357.db2.gz GBMAWTRUMGFLQT-RWQQGDIJSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584765 433597105 /nfs/dbraw/zinc/59/71/05/433597105.db2.gz WRYHWJOKFHUOKT-ZWNOBZJWSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584765 433597119 /nfs/dbraw/zinc/59/71/19/433597119.db2.gz WRYHWJOKFHUOKT-ZWNOBZJWSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584762 433599101 /nfs/dbraw/zinc/59/91/01/433599101.db2.gz WRYHWJOKFHUOKT-GWCFXTLKSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000351584762 433599111 /nfs/dbraw/zinc/59/91/11/433599111.db2.gz WRYHWJOKFHUOKT-GWCFXTLKSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@H+](C)Cc1ccccc1 ZINC000282401125 433599526 /nfs/dbraw/zinc/59/95/26/433599526.db2.gz XWGTXDVZSSTCTB-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000282401125 433599538 /nfs/dbraw/zinc/59/95/38/433599538.db2.gz XWGTXDVZSSTCTB-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1OC(F)F)CC2 ZINC000375908366 433609528 /nfs/dbraw/zinc/60/95/28/433609528.db2.gz WJLGWOQRUQXFOC-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccccc1OC(F)F)CC2 ZINC000375908366 433609539 /nfs/dbraw/zinc/60/95/39/433609539.db2.gz WJLGWOQRUQXFOC-UHFFFAOYSA-N 2 2 310.388 3.348 20 0 DGADLP c1nc([C@@H]2CCCO2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000339491617 433617553 /nfs/dbraw/zinc/61/75/53/433617553.db2.gz IWGKNUGTOZWBSU-INIZCTEOSA-N 2 2 321.490 3.101 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000414455196 433627170 /nfs/dbraw/zinc/62/71/70/433627170.db2.gz SGSITVULYVXJFI-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000414455196 433627180 /nfs/dbraw/zinc/62/71/80/433627180.db2.gz SGSITVULYVXJFI-IBGZPJMESA-N 2 2 324.472 3.175 20 0 DGADLP c1ccc(COc2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427122558 433657002 /nfs/dbraw/zinc/65/70/02/433657002.db2.gz CMXFQQRFQKVXOT-AZUAARDMSA-N 2 2 322.452 3.449 20 0 DGADLP c1ccc(COc2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427122558 433657010 /nfs/dbraw/zinc/65/70/10/433657010.db2.gz CMXFQQRFQKVXOT-AZUAARDMSA-N 2 2 322.452 3.449 20 0 DGADLP Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650568 433659513 /nfs/dbraw/zinc/65/95/13/433659513.db2.gz GHMVKSMEMJLZAA-SCLBCKFNSA-N 2 2 310.445 3.477 20 0 DGADLP Cc1nc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301650568 433659523 /nfs/dbraw/zinc/65/95/23/433659523.db2.gz GHMVKSMEMJLZAA-SCLBCKFNSA-N 2 2 310.445 3.477 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427138216 433660166 /nfs/dbraw/zinc/66/01/66/433660166.db2.gz VWNADXSMYSYEKB-WBVHZDCISA-N 2 2 313.470 3.302 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)cc1 ZINC000427138216 433660175 /nfs/dbraw/zinc/66/01/75/433660175.db2.gz VWNADXSMYSYEKB-WBVHZDCISA-N 2 2 313.470 3.302 20 0 DGADLP Cc1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301665805 433666370 /nfs/dbraw/zinc/66/63/70/433666370.db2.gz BZZFZDTVKXOTEX-IBGZPJMESA-N 2 2 324.472 3.360 20 0 DGADLP Cc1nc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301665805 433666381 /nfs/dbraw/zinc/66/63/81/433666381.db2.gz BZZFZDTVKXOTEX-IBGZPJMESA-N 2 2 324.472 3.360 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000351688051 433668117 /nfs/dbraw/zinc/66/81/17/433668117.db2.gz PSJNWILBCMAPOI-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000351688051 433668129 /nfs/dbraw/zinc/66/81/29/433668129.db2.gz PSJNWILBCMAPOI-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000351688051 433668136 /nfs/dbraw/zinc/66/81/36/433668136.db2.gz PSJNWILBCMAPOI-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000351688051 433668148 /nfs/dbraw/zinc/66/81/48/433668148.db2.gz PSJNWILBCMAPOI-QGZVFWFLSA-N 2 2 313.445 3.039 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025717 433679768 /nfs/dbraw/zinc/67/97/68/433679768.db2.gz CMAQWVGDSPMZNN-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025717 433679775 /nfs/dbraw/zinc/67/97/75/433679775.db2.gz CMAQWVGDSPMZNN-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025717 433679782 /nfs/dbraw/zinc/67/97/82/433679782.db2.gz CMAQWVGDSPMZNN-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2C2CCCC2)[C@@H](C)C1 ZINC000449025717 433679790 /nfs/dbraw/zinc/67/97/90/433679790.db2.gz CMAQWVGDSPMZNN-MAUKXSAKSA-N 2 2 304.482 3.160 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000356773468 433690346 /nfs/dbraw/zinc/69/03/46/433690346.db2.gz CPUCFQMAMZLRPT-RNIPGJKVSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCOC1 ZINC000356773468 433690356 /nfs/dbraw/zinc/69/03/56/433690356.db2.gz CPUCFQMAMZLRPT-RNIPGJKVSA-N 2 2 302.462 3.227 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000301717537 433692370 /nfs/dbraw/zinc/69/23/70/433692370.db2.gz OBSRWKJGQKAJAD-CYBMUJFWSA-N 2 2 312.442 3.489 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1OCC ZINC000427099481 433650905 /nfs/dbraw/zinc/65/09/05/433650905.db2.gz HVYKQTKRMFKXDB-WBVHZDCISA-N 2 2 318.461 3.058 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1OCC ZINC000427099481 433650914 /nfs/dbraw/zinc/65/09/14/433650914.db2.gz HVYKQTKRMFKXDB-WBVHZDCISA-N 2 2 318.461 3.058 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000366943563 293007101 /nfs/dbraw/zinc/00/71/01/293007101.db2.gz LNPHVLOISLZGHF-RBUKOAKNSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000366943563 293007104 /nfs/dbraw/zinc/00/71/04/293007104.db2.gz LNPHVLOISLZGHF-RBUKOAKNSA-N 2 2 311.429 3.324 20 0 DGADLP F[C@]1(c2cccc(Cl)c2)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000366983766 293010553 /nfs/dbraw/zinc/01/05/53/293010553.db2.gz SNWMOSSPINNLJY-MRXNPFEDSA-N 2 2 307.800 3.497 20 0 DGADLP F[C@]1(c2cccc(Cl)c2)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000366983766 293010557 /nfs/dbraw/zinc/01/05/57/293010557.db2.gz SNWMOSSPINNLJY-MRXNPFEDSA-N 2 2 307.800 3.497 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2)[nH+]c1C ZINC000367060754 293018268 /nfs/dbraw/zinc/01/82/68/293018268.db2.gz RJWYPXZJZBZFIN-MRXNPFEDSA-N 2 2 324.428 3.022 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000368192614 293102019 /nfs/dbraw/zinc/10/20/19/293102019.db2.gz HDMPHFZYEZAWTJ-LLVKDONJSA-N 2 2 311.216 3.111 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000368192614 293102023 /nfs/dbraw/zinc/10/20/23/293102023.db2.gz HDMPHFZYEZAWTJ-LLVKDONJSA-N 2 2 311.216 3.111 20 0 DGADLP c1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n(C2CCCC2)n1 ZINC000449044223 433700955 /nfs/dbraw/zinc/70/09/55/433700955.db2.gz CHVVYDCRUXYOMQ-SFHVURJKSA-N 2 2 312.417 3.047 20 0 DGADLP c1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n(C2CCCC2)n1 ZINC000449044223 433700970 /nfs/dbraw/zinc/70/09/70/433700970.db2.gz CHVVYDCRUXYOMQ-SFHVURJKSA-N 2 2 312.417 3.047 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368424434 293122698 /nfs/dbraw/zinc/12/26/98/293122698.db2.gz KBVMGDNEXQXXOP-QGZVFWFLSA-N 2 2 302.466 3.174 20 0 DGADLP c1[nH]nc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000368424434 293122701 /nfs/dbraw/zinc/12/27/01/293122701.db2.gz KBVMGDNEXQXXOP-QGZVFWFLSA-N 2 2 302.466 3.174 20 0 DGADLP FC(F)COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000368496701 293127457 /nfs/dbraw/zinc/12/74/57/293127457.db2.gz REPHIOCAJPERJZ-UHFFFAOYSA-N 2 2 321.371 3.153 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC000424380328 293159172 /nfs/dbraw/zinc/15/91/72/293159172.db2.gz WUGMPAPKCXDJNG-KFWWJZLASA-N 2 2 316.367 3.252 20 0 DGADLP CC(C)c1cccc(NC(=[NH2+])NCc2c[nH+]c3n2CCCC3)c1 ZINC000370268265 293167265 /nfs/dbraw/zinc/16/72/65/293167265.db2.gz WWKONNGUQYLEMY-UHFFFAOYSA-N 2 2 311.433 3.479 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnc(C)nc1 ZINC000339660594 433707597 /nfs/dbraw/zinc/70/75/97/433707597.db2.gz ICTVBVOSJPOZIG-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnc(C)nc1 ZINC000339660594 433707606 /nfs/dbraw/zinc/70/76/06/433707606.db2.gz ICTVBVOSJPOZIG-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449050266 433709420 /nfs/dbraw/zinc/70/94/20/433709420.db2.gz UCAZJLPQEWGDHA-VQIMIIECSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449050266 433709428 /nfs/dbraw/zinc/70/94/28/433709428.db2.gz UCAZJLPQEWGDHA-VQIMIIECSA-N 2 2 314.473 3.452 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449050266 433709436 /nfs/dbraw/zinc/70/94/36/433709436.db2.gz UCAZJLPQEWGDHA-VQIMIIECSA-N 2 2 314.473 3.452 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502514 293283575 /nfs/dbraw/zinc/28/35/75/293283575.db2.gz YSROKDIKVHPXIV-DNVCBOLYSA-N 2 2 323.444 3.336 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502514 293283578 /nfs/dbraw/zinc/28/35/78/293283578.db2.gz YSROKDIKVHPXIV-DNVCBOLYSA-N 2 2 323.444 3.336 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000373562275 293290957 /nfs/dbraw/zinc/29/09/57/293290957.db2.gz TVSSVSIWJDCKJV-PKOBYXMFSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000373562275 293290959 /nfs/dbraw/zinc/29/09/59/293290959.db2.gz TVSSVSIWJDCKJV-PKOBYXMFSA-N 2 2 324.472 3.052 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000342475440 433718209 /nfs/dbraw/zinc/71/82/09/433718209.db2.gz BIMPMJFJTKLYGO-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000342475440 433718216 /nfs/dbraw/zinc/71/82/16/433718216.db2.gz BIMPMJFJTKLYGO-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000342475440 433718224 /nfs/dbraw/zinc/71/82/24/433718224.db2.gz BIMPMJFJTKLYGO-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000342475440 433718233 /nfs/dbraw/zinc/71/82/33/433718233.db2.gz BIMPMJFJTKLYGO-IAGOWNOFSA-N 2 2 317.477 3.177 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000449388225 433739688 /nfs/dbraw/zinc/73/96/88/433739688.db2.gz OQTILPHKEKXCBD-AABGKKOBSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000449388225 433739697 /nfs/dbraw/zinc/73/96/97/433739697.db2.gz OQTILPHKEKXCBD-AABGKKOBSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000449388226 433740597 /nfs/dbraw/zinc/74/05/97/433740597.db2.gz OQTILPHKEKXCBD-AQNXPRMDSA-N 2 2 316.489 3.149 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000449388226 433740603 /nfs/dbraw/zinc/74/06/03/433740603.db2.gz OQTILPHKEKXCBD-AQNXPRMDSA-N 2 2 316.489 3.149 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423532407 293440107 /nfs/dbraw/zinc/44/01/07/293440107.db2.gz RBQGUIBDSYOMCM-USXIJHARSA-N 2 2 313.470 3.174 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccncc1Cl ZINC000421821740 433742829 /nfs/dbraw/zinc/74/28/29/433742829.db2.gz TVJZFNZSNNXQFK-GFCCVEGCSA-N 2 2 300.793 3.276 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853163 433755312 /nfs/dbraw/zinc/75/53/12/433755312.db2.gz NZIGJIWBVSWDAU-KGLIPLIRSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853163 433755325 /nfs/dbraw/zinc/75/53/25/433755325.db2.gz NZIGJIWBVSWDAU-KGLIPLIRSA-N 2 2 316.474 3.364 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421828875 433755271 /nfs/dbraw/zinc/75/52/71/433755271.db2.gz FTNDIPBJBHFGLN-MSOLQXFVSA-N 2 2 301.478 3.183 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421828875 433755283 /nfs/dbraw/zinc/75/52/83/433755283.db2.gz FTNDIPBJBHFGLN-MSOLQXFVSA-N 2 2 301.478 3.183 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000351857412 433758884 /nfs/dbraw/zinc/75/88/84/433758884.db2.gz XRHBGWMVZVGVLN-SRVKXCTJSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000351857412 433758894 /nfs/dbraw/zinc/75/88/94/433758894.db2.gz XRHBGWMVZVGVLN-SRVKXCTJSA-N 2 2 308.376 3.162 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)c(F)c1 ZINC000421842668 433764884 /nfs/dbraw/zinc/76/48/84/433764884.db2.gz OJLYELJPGFJFPT-UGSOOPFHSA-N 2 2 317.408 3.333 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)c(F)c1 ZINC000421842665 433767258 /nfs/dbraw/zinc/76/72/58/433767258.db2.gz OJLYELJPGFJFPT-ACJLOTCBSA-N 2 2 317.408 3.333 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293524507 433768250 /nfs/dbraw/zinc/76/82/50/433768250.db2.gz BHTMTDDEUGSEGL-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293524507 433768254 /nfs/dbraw/zinc/76/82/54/433768254.db2.gz BHTMTDDEUGSEGL-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293524507 433768262 /nfs/dbraw/zinc/76/82/62/433768262.db2.gz BHTMTDDEUGSEGL-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293524507 433768270 /nfs/dbraw/zinc/76/82/70/433768270.db2.gz BHTMTDDEUGSEGL-FQEVSTJZSA-N 2 2 324.472 3.098 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000414771426 433823159 /nfs/dbraw/zinc/82/31/59/433823159.db2.gz QWIMYFLUHHYXRR-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000414771426 433823167 /nfs/dbraw/zinc/82/31/67/433823167.db2.gz QWIMYFLUHHYXRR-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@@H](C)C[NH3+])cc1OCC ZINC000414660964 433772798 /nfs/dbraw/zinc/77/27/98/433772798.db2.gz PFPHXJLMRDJRQB-LBPRGKRZSA-N 2 2 314.857 3.307 20 0 DGADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OCC ZINC000414660964 433772813 /nfs/dbraw/zinc/77/28/13/433772813.db2.gz PFPHXJLMRDJRQB-LBPRGKRZSA-N 2 2 314.857 3.307 20 0 DGADLP CCC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000414679733 433786357 /nfs/dbraw/zinc/78/63/57/433786357.db2.gz XCZQAWWFDWVSAP-ZBFHGGJFSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000414679733 433786362 /nfs/dbraw/zinc/78/63/62/433786362.db2.gz XCZQAWWFDWVSAP-ZBFHGGJFSA-N 2 2 308.441 3.087 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414688295 433792289 /nfs/dbraw/zinc/79/22/89/433792289.db2.gz CXYVHKZRRQGAAF-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414688295 433792299 /nfs/dbraw/zinc/79/22/99/433792299.db2.gz CXYVHKZRRQGAAF-UHFFFAOYSA-N 3 2 317.521 3.219 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430590130 433793256 /nfs/dbraw/zinc/79/32/56/433793256.db2.gz GZAHQTZALKQXNA-DOTOQJQBSA-N 2 2 319.493 3.442 20 0 DGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430590130 433793266 /nfs/dbraw/zinc/79/32/66/433793266.db2.gz GZAHQTZALKQXNA-DOTOQJQBSA-N 2 2 319.493 3.442 20 0 DGADLP Cc1cc(NC(=O)C[N@@H+](C)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000356981574 433795396 /nfs/dbraw/zinc/79/53/96/433795396.db2.gz UITBEDPCCSNTGD-OAHLLOKOSA-N 2 2 318.465 3.048 20 0 DGADLP Cc1cc(NC(=O)C[N@H+](C)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000356981574 433795403 /nfs/dbraw/zinc/79/54/03/433795403.db2.gz UITBEDPCCSNTGD-OAHLLOKOSA-N 2 2 318.465 3.048 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721951 433807303 /nfs/dbraw/zinc/80/73/03/433807303.db2.gz JXHORCLEKSIJDW-IAGOWNOFSA-N 3 2 321.534 3.066 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721951 433807313 /nfs/dbraw/zinc/80/73/13/433807313.db2.gz JXHORCLEKSIJDW-IAGOWNOFSA-N 3 2 321.534 3.066 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000343482179 433809824 /nfs/dbraw/zinc/80/98/24/433809824.db2.gz VGFKMBPVDTUXQM-WFXMFSGNSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000414756935 433814747 /nfs/dbraw/zinc/81/47/47/433814747.db2.gz RTXRSZWZIQEQGP-SFHVURJKSA-N 2 2 304.478 3.098 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000414756935 433814753 /nfs/dbraw/zinc/81/47/53/433814753.db2.gz RTXRSZWZIQEQGP-SFHVURJKSA-N 2 2 304.478 3.098 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@H](C[NH3+])C1 ZINC000414765846 433818873 /nfs/dbraw/zinc/81/88/73/433818873.db2.gz GMLXJDVZOZEJGX-AAEUAGOBSA-N 2 2 307.488 3.431 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@H](C[NH3+])C1 ZINC000414765846 433818884 /nfs/dbraw/zinc/81/88/84/433818884.db2.gz GMLXJDVZOZEJGX-AAEUAGOBSA-N 2 2 307.488 3.431 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000414763522 433820094 /nfs/dbraw/zinc/82/00/94/433820094.db2.gz CRKCMLGINHFBDX-CMPLNLGQSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000414763522 433820101 /nfs/dbraw/zinc/82/01/01/433820101.db2.gz CRKCMLGINHFBDX-CMPLNLGQSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000414762489 433820766 /nfs/dbraw/zinc/82/07/66/433820766.db2.gz LFUQFOINYYFUHV-CYBMUJFWSA-N 2 2 315.280 3.004 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000414762489 433820776 /nfs/dbraw/zinc/82/07/76/433820776.db2.gz LFUQFOINYYFUHV-CYBMUJFWSA-N 2 2 315.280 3.004 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000414765892 433821437 /nfs/dbraw/zinc/82/14/37/433821437.db2.gz GVDPHSDXTWISTH-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000414765892 433821447 /nfs/dbraw/zinc/82/14/47/433821447.db2.gz GVDPHSDXTWISTH-JSGCOSHPSA-N 2 2 316.367 3.187 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)C1CCCCC1 ZINC000414834698 433873400 /nfs/dbraw/zinc/87/34/00/433873400.db2.gz GYEZQLBGVFBXAK-CQSZACIVSA-N 2 2 305.447 3.400 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1Br ZINC000414839709 433874366 /nfs/dbraw/zinc/87/43/66/433874366.db2.gz MKQBZLGJZAHZJH-SECBINFHSA-N 2 2 305.647 3.048 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414836633 433874467 /nfs/dbraw/zinc/87/44/67/433874467.db2.gz IQQPKRNVACRANN-LLVKDONJSA-N 2 2 303.219 3.051 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000293804431 433875374 /nfs/dbraw/zinc/87/53/74/433875374.db2.gz DMMRWQZNMQQXBL-UHFFFAOYSA-N 2 2 323.387 3.342 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000293804431 433875381 /nfs/dbraw/zinc/87/53/81/433875381.db2.gz DMMRWQZNMQQXBL-UHFFFAOYSA-N 2 2 323.387 3.342 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826611 433834907 /nfs/dbraw/zinc/83/49/07/433834907.db2.gz DSNATJHMVLLCPS-AXFHLTTASA-N 2 2 319.396 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826611 433834914 /nfs/dbraw/zinc/83/49/14/433834914.db2.gz DSNATJHMVLLCPS-AXFHLTTASA-N 2 2 319.396 3.439 20 0 DGADLP CC[N@H+](C[C@@H](O)C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000284107325 433836647 /nfs/dbraw/zinc/83/66/47/433836647.db2.gz SUNHMNFENPEMPZ-QGZVFWFLSA-N 2 2 319.493 3.027 20 0 DGADLP CC[N@@H+](C[C@@H](O)C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000284107325 433836656 /nfs/dbraw/zinc/83/66/56/433836656.db2.gz SUNHMNFENPEMPZ-QGZVFWFLSA-N 2 2 319.493 3.027 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000362754585 433848195 /nfs/dbraw/zinc/84/81/95/433848195.db2.gz YBWAKGGZVKWFHM-HKUYNNGSSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000362754585 433848206 /nfs/dbraw/zinc/84/82/06/433848206.db2.gz YBWAKGGZVKWFHM-HKUYNNGSSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754585 433848214 /nfs/dbraw/zinc/84/82/14/433848214.db2.gz YBWAKGGZVKWFHM-HKUYNNGSSA-N 3 2 318.509 3.168 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362754585 433848223 /nfs/dbraw/zinc/84/82/23/433848223.db2.gz YBWAKGGZVKWFHM-HKUYNNGSSA-N 3 2 318.509 3.168 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C12CCCC2 ZINC000344115370 433849533 /nfs/dbraw/zinc/84/95/33/433849533.db2.gz XDYCRVPEPGUCGY-IXDOHACOSA-N 2 2 317.477 3.396 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)on2)cc1 ZINC000357087329 433856102 /nfs/dbraw/zinc/85/61/02/433856102.db2.gz MWSNFYUWHOFNJT-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)on2)cc1 ZINC000357087329 433856107 /nfs/dbraw/zinc/85/61/07/433856107.db2.gz MWSNFYUWHOFNJT-ZIAGYGMSSA-N 2 2 317.820 3.036 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000414831518 433867709 /nfs/dbraw/zinc/86/77/09/433867709.db2.gz CIKPGTPZNBGZEO-NSISKUIASA-N 2 2 315.505 3.319 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000414831516 433869206 /nfs/dbraw/zinc/86/92/06/433869206.db2.gz CIKPGTPZNBGZEO-AHRSYUTCSA-N 2 2 315.505 3.319 20 0 DGADLP CCCCCOc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1OC ZINC000414875219 433895276 /nfs/dbraw/zinc/89/52/76/433895276.db2.gz ZWNDXIDWCDKMON-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000414887282 433901446 /nfs/dbraw/zinc/90/14/46/433901446.db2.gz DGDDCTQNTDBVAB-HZPDHXFCSA-N 2 2 319.449 3.080 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000414893421 433904121 /nfs/dbraw/zinc/90/41/21/433904121.db2.gz KHCFSPWYBCPKOY-YJBOKZPZSA-N 2 2 320.358 3.339 20 0 DGADLP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000345232031 433905745 /nfs/dbraw/zinc/90/57/45/433905745.db2.gz DVEJGAPNNDVYOJ-LJQANCHMSA-N 2 2 324.472 3.979 20 0 DGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414922365 433918100 /nfs/dbraw/zinc/91/81/00/433918100.db2.gz FZGDXBNHZNQWSD-ZANVPECISA-N 2 2 306.759 3.446 20 0 DGADLP Cc1[nH+]cc(CNC[C@H]2[NH2+]CCCC2(C)C)n1-c1ccccc1 ZINC000414933113 433920396 /nfs/dbraw/zinc/92/03/96/433920396.db2.gz TZCWFDDWOVFOTB-GOSISDBHSA-N 2 2 312.461 3.049 20 0 DGADLP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414926644 433920661 /nfs/dbraw/zinc/92/06/61/433920661.db2.gz LBJKMCGHQKLHEC-LJQANCHMSA-N 2 2 322.456 3.300 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)cs2)cc1 ZINC000414928400 433920735 /nfs/dbraw/zinc/92/07/35/433920735.db2.gz BBFMNUUFLMSTIZ-HIFRSBDPSA-N 2 2 301.459 3.349 20 0 DGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000352113450 433922330 /nfs/dbraw/zinc/92/23/30/433922330.db2.gz IZDOLWANKMXURF-INIZCTEOSA-N 2 2 321.424 3.358 20 0 DGADLP CC1([NH2+]Cc2ccc(Cl)cc2Br)CC[NH2+]CC1 ZINC000414938341 433925615 /nfs/dbraw/zinc/92/56/15/433925615.db2.gz ILGUMQUTYGAORY-UHFFFAOYSA-N 2 2 317.658 3.334 20 0 DGADLP CC(C)n1cncc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303211391 433926255 /nfs/dbraw/zinc/92/62/55/433926255.db2.gz AYZZERBISKVLLX-UHFFFAOYSA-N 2 2 312.461 3.218 20 0 DGADLP CCCC[N@H+](C)CCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357261004 433929888 /nfs/dbraw/zinc/92/98/88/433929888.db2.gz IWIRVTJVCHLGMZ-UHFFFAOYSA-N 2 2 319.424 3.086 20 0 DGADLP CCCC[N@@H+](C)CCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357261004 433929896 /nfs/dbraw/zinc/92/98/96/433929896.db2.gz IWIRVTJVCHLGMZ-UHFFFAOYSA-N 2 2 319.424 3.086 20 0 DGADLP CCc1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000339975595 433879443 /nfs/dbraw/zinc/87/94/43/433879443.db2.gz NMTYKWUFJGFETR-HNNXBMFYSA-N 2 2 314.433 3.580 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC000344676251 433879230 /nfs/dbraw/zinc/87/92/30/433879230.db2.gz KQMURSHPNOZGOF-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC000344676251 433879238 /nfs/dbraw/zinc/87/92/38/433879238.db2.gz KQMURSHPNOZGOF-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1[nH]nc2ncc(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)cc12 ZINC000414854208 433880944 /nfs/dbraw/zinc/88/09/44/433880944.db2.gz YTSSNCNRUGGGRQ-SFHVURJKSA-N 2 2 323.444 3.179 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414851350 433883671 /nfs/dbraw/zinc/88/36/71/433883671.db2.gz JBCYIUNSVNOIHK-NWDGAFQWSA-N 2 2 307.488 3.349 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414854177 433884141 /nfs/dbraw/zinc/88/41/41/433884141.db2.gz UONKWNKDVWKQFV-INIZCTEOSA-N 2 2 320.868 3.297 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)c2ccccc21 ZINC000422705117 433942108 /nfs/dbraw/zinc/94/21/08/433942108.db2.gz QXBJAFWCGFLTRM-QAPCUYQASA-N 3 2 306.413 3.230 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000414964950 433944690 /nfs/dbraw/zinc/94/46/90/433944690.db2.gz VCGWUKKHRPFEJF-SECBINFHSA-N 2 2 305.647 3.190 20 0 DGADLP CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422713946 433945019 /nfs/dbraw/zinc/94/50/19/433945019.db2.gz QFYAKDBAJZDJET-ZYHUDNBSSA-N 2 2 304.463 3.279 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000422720057 433949794 /nfs/dbraw/zinc/94/97/94/433949794.db2.gz RYZVFQYTOPPMNZ-NUJGCVRESA-N 2 2 304.478 3.099 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422725610 433950759 /nfs/dbraw/zinc/95/07/59/433950759.db2.gz BZJSTZYONBBPBZ-SZMVWBNQSA-N 3 2 303.494 3.223 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3Cc4ccccc4N(C)C3)n2c1 ZINC000436376989 433951099 /nfs/dbraw/zinc/95/10/99/433951099.db2.gz DZDCVESMZVZSKR-INIZCTEOSA-N 2 2 320.440 3.041 20 0 DGADLP CCN(CC)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422728383 433955285 /nfs/dbraw/zinc/95/52/85/433955285.db2.gz GBTGNTGDRATZDO-BEFAXECRSA-N 2 2 312.461 3.228 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422731168 433955375 /nfs/dbraw/zinc/95/53/75/433955375.db2.gz GLUKBQTXVPDMCN-PKOBYXMFSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1cccc(Br)c1 ZINC000414988511 433957104 /nfs/dbraw/zinc/95/71/04/433957104.db2.gz KYMFDDJSUSLGOL-BXKDBHETSA-N 2 2 321.209 3.125 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cnn1C ZINC000340176399 433957266 /nfs/dbraw/zinc/95/72/66/433957266.db2.gz XYPIAMZYWHRBSC-FNHZYXHNSA-N 2 2 312.461 3.215 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cnn1C ZINC000340176399 433957273 /nfs/dbraw/zinc/95/72/73/433957273.db2.gz XYPIAMZYWHRBSC-FNHZYXHNSA-N 2 2 312.461 3.215 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414984584 433957987 /nfs/dbraw/zinc/95/79/87/433957987.db2.gz VCHIPYMJGDURPF-OAHLLOKOSA-N 2 2 320.868 3.029 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340182085 433963420 /nfs/dbraw/zinc/96/34/20/433963420.db2.gz PLLNMLSKTDCOFH-WOJBJXKFSA-N 3 2 315.505 3.288 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340182085 433963428 /nfs/dbraw/zinc/96/34/28/433963428.db2.gz PLLNMLSKTDCOFH-WOJBJXKFSA-N 3 2 315.505 3.288 20 0 DGADLP Cc1cccn2c(C[NH2+]C[C@H]3Cc4ccccc4N(C)C3)c[nH+]c12 ZINC000436417672 433965711 /nfs/dbraw/zinc/96/57/11/433965711.db2.gz VLAACUKNSRERDU-MRXNPFEDSA-N 2 2 320.440 3.041 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340182082 433966582 /nfs/dbraw/zinc/96/65/82/433966582.db2.gz PLLNMLSKTDCOFH-PMACEKPBSA-N 3 2 315.505 3.288 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340182082 433966589 /nfs/dbraw/zinc/96/65/89/433966589.db2.gz PLLNMLSKTDCOFH-PMACEKPBSA-N 3 2 315.505 3.288 20 0 DGADLP COc1cccc2c(NCCNc3cccc(C)[nH+]3)cc[nH+]c12 ZINC000436441401 433970115 /nfs/dbraw/zinc/97/01/15/433970115.db2.gz YEXXQEFNMAALHI-UHFFFAOYSA-N 2 2 308.385 3.471 20 0 DGADLP COc1cccc2c(NC[C@]3([NH+](C)C)CCSC3)cc[nH+]c12 ZINC000436448946 433971473 /nfs/dbraw/zinc/97/14/73/433971473.db2.gz DSXPFHRBBCGGQM-QGZVFWFLSA-N 2 2 317.458 3.093 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000422747528 433971550 /nfs/dbraw/zinc/97/15/50/433971550.db2.gz QHMYIPMZELSFNZ-SJLPKXTDSA-N 3 2 312.461 3.273 20 0 DGADLP Cc1cn[nH]c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000377717429 433972220 /nfs/dbraw/zinc/97/22/20/433972220.db2.gz CAMOIBZSFZZBFY-GOSISDBHSA-N 2 2 312.461 3.108 20 0 DGADLP Cc1cn[nH]c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000377717429 433972226 /nfs/dbraw/zinc/97/22/26/433972226.db2.gz CAMOIBZSFZZBFY-GOSISDBHSA-N 2 2 312.461 3.108 20 0 DGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422748420 433972955 /nfs/dbraw/zinc/97/29/55/433972955.db2.gz UKYVEKQSPRZNQR-SLFFLAALSA-N 3 2 324.472 3.273 20 0 DGADLP c1cn(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422752193 433973876 /nfs/dbraw/zinc/97/38/76/433973876.db2.gz ASOGCNYXUVUQNO-VAMGGRTRSA-N 2 2 324.472 3.273 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C[C@@H]1c1ccccc1 ZINC000340193271 433974001 /nfs/dbraw/zinc/97/40/01/433974001.db2.gz XIBNSBSDUCGPGZ-ZWKOTPCHSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C[C@@H]1c1ccccc1 ZINC000340193271 433974007 /nfs/dbraw/zinc/97/40/07/433974007.db2.gz XIBNSBSDUCGPGZ-ZWKOTPCHSA-N 2 2 324.424 3.340 20 0 DGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415076361 433974256 /nfs/dbraw/zinc/97/42/56/433974256.db2.gz AWKKLDSDBDTAPH-OXQOHEQNSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1cccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)[nH+]1 ZINC000422755350 433979266 /nfs/dbraw/zinc/97/92/66/433979266.db2.gz GTGGOVPGSHFISV-OALUTQOASA-N 3 2 322.456 3.093 20 0 DGADLP COCc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1F ZINC000422758875 433979677 /nfs/dbraw/zinc/97/96/77/433979677.db2.gz JIHHVFWFDBHYTA-MSOLQXFVSA-N 2 2 300.377 3.207 20 0 DGADLP COc1ccc(Cl)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422764916 433982298 /nfs/dbraw/zinc/98/22/98/433982298.db2.gz OVAIBUAAYQRWKI-CXAGYDPISA-N 2 2 318.848 3.397 20 0 DGADLP CCC(CC)[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)[NH+](C)C ZINC000436495341 433983095 /nfs/dbraw/zinc/98/30/95/433983095.db2.gz OUTVSFYDVZIUSH-MRXNPFEDSA-N 2 2 320.481 3.495 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@]1(C)CCCO1 ZINC000340210561 433985665 /nfs/dbraw/zinc/98/56/65/433985665.db2.gz WLWIFGLSLPTIEQ-DYVFJYSZSA-N 2 2 303.381 3.059 20 0 DGADLP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccsc2)cc1F ZINC000414951992 433936613 /nfs/dbraw/zinc/93/66/13/433936613.db2.gz QHUQQEPZRNWQAY-CJNGLKHVSA-N 2 2 308.397 3.262 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000303392643 433939954 /nfs/dbraw/zinc/93/99/54/433939954.db2.gz DVRKYVDQRYMXIB-VQIMIIECSA-N 2 2 310.441 3.187 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000303392643 433939960 /nfs/dbraw/zinc/93/99/60/433939960.db2.gz DVRKYVDQRYMXIB-VQIMIIECSA-N 2 2 310.441 3.187 20 0 DGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)cc1 ZINC000422706841 433941130 /nfs/dbraw/zinc/94/11/30/433941130.db2.gz GDTPJKANSUOCGX-RTBURBONSA-N 2 2 323.440 3.217 20 0 DGADLP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422793927 434006446 /nfs/dbraw/zinc/00/64/46/434006446.db2.gz XSAZXBKBVHUHRH-UONOGXRCSA-N 3 2 309.885 3.020 20 0 DGADLP Cc1cccc(Oc2cc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])ccn2)c1C ZINC000422800717 434015061 /nfs/dbraw/zinc/01/50/61/434015061.db2.gz ADFHFARULRYJDY-IRXDYDNUSA-N 2 2 311.429 3.460 20 0 DGADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422809017 434022054 /nfs/dbraw/zinc/02/20/54/434022054.db2.gz RCNZXRPLUUOOFX-XLIONFOSSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000422814666 434023258 /nfs/dbraw/zinc/02/32/58/434023258.db2.gz VVTVGHVGIBKNKQ-CABZTGNLSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422816798 434024552 /nfs/dbraw/zinc/02/45/52/434024552.db2.gz BLVFKAGAVIFQQJ-BHIYHBOVSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422816798 434024563 /nfs/dbraw/zinc/02/45/63/434024563.db2.gz BLVFKAGAVIFQQJ-BHIYHBOVSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000422814668 434025918 /nfs/dbraw/zinc/02/59/18/434025918.db2.gz VVTVGHVGIBKNKQ-SKDRFNHKSA-N 2 2 304.768 3.172 20 0 DGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422819496 434025980 /nfs/dbraw/zinc/02/59/80/434025980.db2.gz IMYIHOMZHMWTDI-RYRKJORJSA-N 2 2 320.477 3.139 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000397302636 293845633 /nfs/dbraw/zinc/84/56/33/293845633.db2.gz LBFXHTSVIBMYBL-MWLCHTKSSA-N 2 2 303.269 3.131 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422814534 434026832 /nfs/dbraw/zinc/02/68/32/434026832.db2.gz VIGJUIKYAFPGPB-KSZLIROESA-N 2 2 320.477 3.139 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000377890437 434028035 /nfs/dbraw/zinc/02/80/35/434028035.db2.gz VGQMJNTYGUZDQC-KRWDZBQOSA-N 2 2 311.429 3.198 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000377890437 434028042 /nfs/dbraw/zinc/02/80/42/434028042.db2.gz VGQMJNTYGUZDQC-KRWDZBQOSA-N 2 2 311.429 3.198 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281299 434034039 /nfs/dbraw/zinc/03/40/39/434034039.db2.gz OIPJOCKGMGVAMD-HZPDHXFCSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cscn2)C1 ZINC000340281299 434034050 /nfs/dbraw/zinc/03/40/50/434034050.db2.gz OIPJOCKGMGVAMD-HZPDHXFCSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000340281299 434034059 /nfs/dbraw/zinc/03/40/59/434034059.db2.gz OIPJOCKGMGVAMD-HZPDHXFCSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cscn2)C1 ZINC000340281299 434034068 /nfs/dbraw/zinc/03/40/68/434034068.db2.gz OIPJOCKGMGVAMD-HZPDHXFCSA-N 2 2 307.507 3.272 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422829196 434034823 /nfs/dbraw/zinc/03/48/23/434034823.db2.gz PMUMIKGKVVTSEY-FXAWDEMLSA-N 3 2 315.505 3.293 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422829197 434037527 /nfs/dbraw/zinc/03/75/27/434037527.db2.gz PMUMIKGKVVTSEY-PXNSSMCTSA-N 3 2 315.505 3.293 20 0 DGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000285703132 434044030 /nfs/dbraw/zinc/04/40/30/434044030.db2.gz PDRJCCSCZYYZDH-QGZVFWFLSA-N 2 2 309.457 3.489 20 0 DGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000285703132 434044037 /nfs/dbraw/zinc/04/40/37/434044037.db2.gz PDRJCCSCZYYZDH-QGZVFWFLSA-N 2 2 309.457 3.489 20 0 DGADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000363190570 433994738 /nfs/dbraw/zinc/99/47/38/433994738.db2.gz JPJDPJUXIUWZJG-QGZVFWFLSA-N 2 2 305.466 3.235 20 0 DGADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000363190570 433994747 /nfs/dbraw/zinc/99/47/47/433994747.db2.gz JPJDPJUXIUWZJG-QGZVFWFLSA-N 2 2 305.466 3.235 20 0 DGADLP CCc1ccc([C@@H](O)C[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000285568048 434000412 /nfs/dbraw/zinc/00/04/12/434000412.db2.gz SEOCIHLWKQNMMF-SFHVURJKSA-N 2 2 309.413 3.028 20 0 DGADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422793926 434002337 /nfs/dbraw/zinc/00/23/37/434002337.db2.gz XSAZXBKBVHUHRH-KGLIPLIRSA-N 3 2 309.885 3.020 20 0 DGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccsc2)cc1F ZINC000414951994 293892649 /nfs/dbraw/zinc/89/26/49/293892649.db2.gz QHUQQEPZRNWQAY-XJKSGUPXSA-N 2 2 308.397 3.262 20 0 DGADLP Fc1ccc(/C=C\CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000353124611 434066752 /nfs/dbraw/zinc/06/67/52/434066752.db2.gz ZBMFTZRPRQLEQG-UPHRSURJSA-N 2 2 308.360 3.591 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422869194 434067479 /nfs/dbraw/zinc/06/74/79/434067479.db2.gz WWSLIRPTVOPJPT-ZBFHGGJFSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422867337 434068492 /nfs/dbraw/zinc/06/84/92/434068492.db2.gz RXZDDMNMQXCLMA-FVVUREQNSA-N 3 2 307.526 3.150 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422867337 434068496 /nfs/dbraw/zinc/06/84/96/434068496.db2.gz RXZDDMNMQXCLMA-FVVUREQNSA-N 3 2 307.526 3.150 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000422872637 434070352 /nfs/dbraw/zinc/07/03/52/434070352.db2.gz HYXSHYXEKGVKNU-YOEHRIQHSA-N 2 2 324.896 3.265 20 0 DGADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OCCC(C)C ZINC000422880332 434076501 /nfs/dbraw/zinc/07/65/01/434076501.db2.gz LSVLJWJSDXHFGF-DOTOQJQBSA-N 2 2 320.477 3.350 20 0 DGADLP Cc1ccc(-c2nc(CC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)co2)cc1 ZINC000422879244 434078145 /nfs/dbraw/zinc/07/81/45/434078145.db2.gz LYFMYPWGQSOTIQ-QAPCUYQASA-N 2 2 313.445 3.313 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)CCO1 ZINC000450283569 434080954 /nfs/dbraw/zinc/08/09/54/434080954.db2.gz JCKULBBFWXETQY-JIGZGPPQSA-N 2 2 314.473 3.275 20 0 DGADLP C[C@@H]1C[N@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)CCO1 ZINC000450283569 434080964 /nfs/dbraw/zinc/08/09/64/434080964.db2.gz JCKULBBFWXETQY-JIGZGPPQSA-N 2 2 314.473 3.275 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882936 434081746 /nfs/dbraw/zinc/08/17/46/434081746.db2.gz PPTOKNPDUBRFJK-ABSDTBQOSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422882936 434081757 /nfs/dbraw/zinc/08/17/57/434081757.db2.gz PPTOKNPDUBRFJK-ABSDTBQOSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000422891334 434085575 /nfs/dbraw/zinc/08/55/75/434085575.db2.gz VERHMPAMPKTZEA-OQUMVOOASA-N 2 2 316.489 3.317 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)on1 ZINC000340389012 434100812 /nfs/dbraw/zinc/10/08/12/434100812.db2.gz BJHADNRWNZBGDF-QFBILLFUSA-N 2 2 313.445 3.168 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc(Cl)n1 ZINC000285860762 434088602 /nfs/dbraw/zinc/08/86/02/434088602.db2.gz YJYXOAADPOXVER-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc(Cl)n1 ZINC000285860762 434088612 /nfs/dbraw/zinc/08/86/12/434088612.db2.gz YJYXOAADPOXVER-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cccc(Cl)n1)Cc1ccco1 ZINC000285860762 434088623 /nfs/dbraw/zinc/08/86/23/434088623.db2.gz YJYXOAADPOXVER-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cccc(Cl)n1)Cc1ccco1 ZINC000285860762 434088631 /nfs/dbraw/zinc/08/86/31/434088631.db2.gz YJYXOAADPOXVER-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP CCC(C)(C)OCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000308548249 434092784 /nfs/dbraw/zinc/09/27/84/434092784.db2.gz RGUJRDQXPGWMNO-UHFFFAOYSA-N 2 2 301.434 3.476 20 0 DGADLP Cc1cc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)on1 ZINC000340389012 434100826 /nfs/dbraw/zinc/10/08/26/434100826.db2.gz BJHADNRWNZBGDF-QFBILLFUSA-N 2 2 313.445 3.168 20 0 DGADLP CC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305174054 434057874 /nfs/dbraw/zinc/05/78/74/434057874.db2.gz UXRQGIIBLHUZEE-INIZCTEOSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353396496 434109579 /nfs/dbraw/zinc/10/95/79/434109579.db2.gz UAHYMKHWDAWADK-VHBXLISGSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000353396496 434109586 /nfs/dbraw/zinc/10/95/86/434109586.db2.gz UAHYMKHWDAWADK-VHBXLISGSA-N 3 2 315.505 3.112 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000340401538 434110584 /nfs/dbraw/zinc/11/05/84/434110584.db2.gz ULYYGABPPDBECJ-YJBOKZPZSA-N 2 2 317.477 3.223 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C(c1cccs1)c1cccs1 ZINC000422922376 434112658 /nfs/dbraw/zinc/11/26/58/434112658.db2.gz QDTQVCYFEHFISE-CHWSQXEVSA-N 2 2 322.499 3.256 20 0 DGADLP C[NH+](C)[C@H](CNc1[nH]c2ccccc2[nH+]1)c1ccccc1Cl ZINC000497953134 294045870 /nfs/dbraw/zinc/04/58/70/294045870.db2.gz QPLVIQHPTJGTQN-MRXNPFEDSA-N 2 2 314.820 3.353 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)on1 ZINC000340389007 434101992 /nfs/dbraw/zinc/10/19/92/434101992.db2.gz BJHADNRWNZBGDF-LPHOPBHVSA-N 2 2 313.445 3.168 20 0 DGADLP Cc1cc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)on1 ZINC000340389007 434102000 /nfs/dbraw/zinc/10/20/00/434102000.db2.gz BJHADNRWNZBGDF-LPHOPBHVSA-N 2 2 313.445 3.168 20 0 DGADLP COc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000422942176 434124778 /nfs/dbraw/zinc/12/47/78/434124778.db2.gz IXLZCUKQPKRMDH-IBGZPJMESA-N 2 2 314.404 3.265 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701263 294091728 /nfs/dbraw/zinc/09/17/28/294091728.db2.gz YDFKZPWOSDMAJK-AHRSYUTCSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701263 294091729 /nfs/dbraw/zinc/09/17/29/294091729.db2.gz YDFKZPWOSDMAJK-AHRSYUTCSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000504576241 294219056 /nfs/dbraw/zinc/21/90/56/294219056.db2.gz XUGUOFCTHWDDLI-IBGZPJMESA-N 2 2 316.489 3.156 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000504576241 294219057 /nfs/dbraw/zinc/21/90/57/294219057.db2.gz XUGUOFCTHWDDLI-IBGZPJMESA-N 2 2 316.489 3.156 20 0 DGADLP CC[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CCO1 ZINC000506340973 294269631 /nfs/dbraw/zinc/26/96/31/294269631.db2.gz OTJJWZWEVFZWFP-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CCO1 ZINC000506340973 294269634 /nfs/dbraw/zinc/26/96/34/294269634.db2.gz OTJJWZWEVFZWFP-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000506340973 294269637 /nfs/dbraw/zinc/26/96/37/294269637.db2.gz OTJJWZWEVFZWFP-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000506340973 294269640 /nfs/dbraw/zinc/26/96/40/294269640.db2.gz OTJJWZWEVFZWFP-GOSISDBHSA-N 2 2 304.478 3.255 20 0 DGADLP CC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509671716 294360955 /nfs/dbraw/zinc/36/09/55/294360955.db2.gz GNJSQJGDKUHAGX-GOSISDBHSA-N 2 2 301.478 3.073 20 0 DGADLP CC[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509671716 294360956 /nfs/dbraw/zinc/36/09/56/294360956.db2.gz GNJSQJGDKUHAGX-GOSISDBHSA-N 2 2 301.478 3.073 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000340447718 434134785 /nfs/dbraw/zinc/13/47/85/434134785.db2.gz FBMHBTAVPSHGDX-HDMKZQKVSA-N 2 2 311.429 3.273 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000340447718 434134793 /nfs/dbraw/zinc/13/47/93/434134793.db2.gz FBMHBTAVPSHGDX-HDMKZQKVSA-N 2 2 311.429 3.273 20 0 DGADLP COc1ccc(C(=O)CC[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000286016989 434137554 /nfs/dbraw/zinc/13/75/54/434137554.db2.gz OYKVTFWRSRBDAA-UHFFFAOYSA-N 2 2 318.461 3.073 20 0 DGADLP COc1ccc(C(=O)CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000286016989 434137565 /nfs/dbraw/zinc/13/75/65/434137565.db2.gz OYKVTFWRSRBDAA-UHFFFAOYSA-N 2 2 318.461 3.073 20 0 DGADLP C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340448554 434138859 /nfs/dbraw/zinc/13/88/59/434138859.db2.gz IKIHLMBMPQABDJ-KBPBESRZSA-N 2 2 308.385 3.385 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000422969998 434141694 /nfs/dbraw/zinc/14/16/94/434141694.db2.gz VOXPKHDYKSUBRF-FXAWDEMLSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422971411 434141728 /nfs/dbraw/zinc/14/17/28/434141728.db2.gz IQFXSJOHWDCOOZ-RHSMWYFYSA-N 2 2 303.450 3.023 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340474420 434153269 /nfs/dbraw/zinc/15/32/69/434153269.db2.gz ISKHRPWJEWTGBB-UHOSZYNNSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000340474420 434153277 /nfs/dbraw/zinc/15/32/77/434153277.db2.gz ISKHRPWJEWTGBB-UHOSZYNNSA-N 2 2 302.462 3.198 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCCO3)c2ccccc21 ZINC000422993900 434157350 /nfs/dbraw/zinc/15/73/50/434157350.db2.gz UGDCVDMONPKPAZ-IAGOWNOFSA-N 2 2 310.397 3.082 20 0 DGADLP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000357776275 434173674 /nfs/dbraw/zinc/17/36/74/434173674.db2.gz BHZZBEGWGJRCAQ-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP CC(C)(CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000340517702 434174731 /nfs/dbraw/zinc/17/47/31/434174731.db2.gz MMVKOIYZSUXBPF-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340521955 434178132 /nfs/dbraw/zinc/17/81/32/434178132.db2.gz YOBYVMDPPQYFOY-KCITZHQASA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@]1(C)CCCO1 ZINC000340521955 434178143 /nfs/dbraw/zinc/17/81/43/434178143.db2.gz YOBYVMDPPQYFOY-KCITZHQASA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000340518961 434178408 /nfs/dbraw/zinc/17/84/08/434178408.db2.gz KHYOWFSHDLZYLB-HNAYVOBHSA-N 2 2 312.461 3.143 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1)[N@H+]1CCc2ccccc2C1 ZINC000340518961 434178421 /nfs/dbraw/zinc/17/84/21/434178421.db2.gz KHYOWFSHDLZYLB-HNAYVOBHSA-N 2 2 312.461 3.143 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000346186394 434185547 /nfs/dbraw/zinc/18/55/47/434185547.db2.gz YRQUOWLKSXBPOT-UHFFFAOYSA-N 2 2 322.387 3.273 20 0 DGADLP C[C@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)[C@@H]1CCC[NH2+]1 ZINC000423048361 434186352 /nfs/dbraw/zinc/18/63/52/434186352.db2.gz IQAZKCAVNKOWKG-HZMBPMFUSA-N 2 2 322.250 3.161 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)CC2 ZINC000423058778 434195534 /nfs/dbraw/zinc/19/55/34/434195534.db2.gz DBSXHNJIDQBLRM-LJHODMEESA-N 2 2 302.462 3.154 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cn[nH]c2)c(C)c1 ZINC000340541177 434197480 /nfs/dbraw/zinc/19/74/80/434197480.db2.gz JHAYCQRQZGMDAM-MAUKXSAKSA-N 2 2 309.417 3.315 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000295102605 434198547 /nfs/dbraw/zinc/19/85/47/434198547.db2.gz SZGJGLAYADVIEP-AOIWGVFYSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H](CCCCO)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000295102605 434198557 /nfs/dbraw/zinc/19/85/57/434198557.db2.gz SZGJGLAYADVIEP-AOIWGVFYSA-N 2 2 304.478 3.038 20 0 DGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)[nH]1 ZINC000423079076 434207217 /nfs/dbraw/zinc/20/72/17/434207217.db2.gz PYCSUQUCGKKLNW-ZQDZILKHSA-N 2 2 307.486 3.280 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100347 434216984 /nfs/dbraw/zinc/21/69/84/434216984.db2.gz GTCHVLWJBVUSND-UONOGXRCSA-N 2 2 307.850 3.433 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100345 434218144 /nfs/dbraw/zinc/21/81/44/434218144.db2.gz GTCHVLWJBVUSND-KBPBESRZSA-N 2 2 307.850 3.433 20 0 DGADLP Cc1cnc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577949 434244387 /nfs/dbraw/zinc/24/43/87/434244387.db2.gz UFBJOUAKBBPFSS-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577949 434244408 /nfs/dbraw/zinc/24/44/08/434244408.db2.gz UFBJOUAKBBPFSS-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577949 434244413 /nfs/dbraw/zinc/24/44/13/434244413.db2.gz UFBJOUAKBBPFSS-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP Cc1cnc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000353577949 434244418 /nfs/dbraw/zinc/24/44/18/434244418.db2.gz UFBJOUAKBBPFSS-XLIONFOSSA-N 2 2 324.472 3.270 20 0 DGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000320941390 434246918 /nfs/dbraw/zinc/24/69/18/434246918.db2.gz ZDCKHACEFXYNAI-VQTJNVASSA-N 2 2 315.505 3.143 20 0 DGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000320941390 434246924 /nfs/dbraw/zinc/24/69/24/434246924.db2.gz ZDCKHACEFXYNAI-VQTJNVASSA-N 2 2 315.505 3.143 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000423156774 434252933 /nfs/dbraw/zinc/25/29/33/434252933.db2.gz LMINEJGUOYWPBF-FKZRYSJHSA-N 2 2 309.251 3.050 20 0 DGADLP CC(C)CCn1nc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c2ccccc21 ZINC000423151942 434253686 /nfs/dbraw/zinc/25/36/86/434253686.db2.gz KWSSXGKUILZZQE-JKSUJKDBSA-N 2 2 300.450 3.052 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181893 434254485 /nfs/dbraw/zinc/25/44/85/434254485.db2.gz SDIWWWXZGGCTKY-NZSAHSFTSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181893 434254496 /nfs/dbraw/zinc/25/44/96/434254496.db2.gz SDIWWWXZGGCTKY-NZSAHSFTSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181894 434255074 /nfs/dbraw/zinc/25/50/74/434255074.db2.gz SDIWWWXZGGCTKY-QRQLOZEOSA-N 2 2 324.472 3.391 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2nccn21 ZINC000379181894 434255079 /nfs/dbraw/zinc/25/50/79/434255079.db2.gz SDIWWWXZGGCTKY-QRQLOZEOSA-N 2 2 324.472 3.391 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423169493 434260958 /nfs/dbraw/zinc/26/09/58/434260958.db2.gz WBBVDCZBDHHNDI-QXCFHYIPSA-N 2 2 318.461 3.034 20 0 DGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)[nH+]1 ZINC000364233510 434263657 /nfs/dbraw/zinc/26/36/57/434263657.db2.gz HLVLUKDMGZZEAP-INIZCTEOSA-N 2 2 303.450 3.471 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000423167467 434263701 /nfs/dbraw/zinc/26/37/01/434263701.db2.gz WSEISJJSWUJENA-VBSBHUPXSA-N 2 2 316.489 3.317 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c2nccn21 ZINC000295221790 434263733 /nfs/dbraw/zinc/26/37/33/434263733.db2.gz MWRTUIVPWAUONN-WFASDCNBSA-N 2 2 311.364 3.004 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000423177593 434268640 /nfs/dbraw/zinc/26/86/40/434268640.db2.gz AXVLGWSLXKDVOA-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP FC(F)(F)Oc1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423187610 434272438 /nfs/dbraw/zinc/27/24/38/434272438.db2.gz KXNOWNUOGXGDOC-ZFWWWQNUSA-N 2 2 314.351 3.378 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423188385 434272840 /nfs/dbraw/zinc/27/28/40/434272840.db2.gz YWEVHMUSIRFFIT-PKOBYXMFSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423188385 434272847 /nfs/dbraw/zinc/27/28/47/434272847.db2.gz YWEVHMUSIRFFIT-PKOBYXMFSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187892 434273111 /nfs/dbraw/zinc/27/31/11/434273111.db2.gz YKWQTAVDNJATFR-HKUYNNGSSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423187892 434273116 /nfs/dbraw/zinc/27/31/16/434273116.db2.gz YKWQTAVDNJATFR-HKUYNNGSSA-N 3 2 315.505 3.148 20 0 DGADLP CN(CC[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353552671 434222547 /nfs/dbraw/zinc/22/25/47/434222547.db2.gz ZQQQEQWGXJBFCM-UHFFFAOYSA-N 2 2 315.461 3.170 20 0 DGADLP CN(CC[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353552671 434222554 /nfs/dbraw/zinc/22/25/54/434222554.db2.gz ZQQQEQWGXJBFCM-UHFFFAOYSA-N 2 2 315.461 3.170 20 0 DGADLP CN(CC[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000353552671 434222563 /nfs/dbraw/zinc/22/25/63/434222563.db2.gz ZQQQEQWGXJBFCM-UHFFFAOYSA-N 2 2 315.461 3.170 20 0 DGADLP CN(CC[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000353552671 434222571 /nfs/dbraw/zinc/22/25/71/434222571.db2.gz ZQQQEQWGXJBFCM-UHFFFAOYSA-N 2 2 315.461 3.170 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000353554894 434223272 /nfs/dbraw/zinc/22/32/72/434223272.db2.gz MNHUHLNICJARIY-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000353554894 434223286 /nfs/dbraw/zinc/22/32/86/434223286.db2.gz MNHUHLNICJARIY-CQSZACIVSA-N 2 2 301.459 3.194 20 0 DGADLP CCSCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423115568 434227629 /nfs/dbraw/zinc/22/76/29/434227629.db2.gz NNYWPBCFLIBGDD-IRXDYDNUSA-N 2 2 308.491 3.221 20 0 DGADLP COC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000319915048 434227979 /nfs/dbraw/zinc/22/79/79/434227979.db2.gz UCZRDNPNNNUCPM-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000319915048 434227988 /nfs/dbraw/zinc/22/79/88/434227988.db2.gz UCZRDNPNNNUCPM-FUHWJXTLSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000423123347 434231729 /nfs/dbraw/zinc/23/17/29/434231729.db2.gz LGIBHCINHPHJQY-KFWWJZLASA-N 2 2 316.420 3.397 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499629 434232198 /nfs/dbraw/zinc/23/21/98/434232198.db2.gz JHQFXRPWUKQNHE-GOEBONIOSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Cl ZINC000450499629 434232206 /nfs/dbraw/zinc/23/22/06/434232206.db2.gz JHQFXRPWUKQNHE-GOEBONIOSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000450499629 434232214 /nfs/dbraw/zinc/23/22/14/434232214.db2.gz JHQFXRPWUKQNHE-GOEBONIOSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000450499629 434232219 /nfs/dbraw/zinc/23/22/19/434232219.db2.gz JHQFXRPWUKQNHE-GOEBONIOSA-N 2 2 308.853 3.265 20 0 DGADLP c1cc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)nc2[nH]1 ZINC000423128366 434237933 /nfs/dbraw/zinc/23/79/33/434237933.db2.gz VTXRXJUDIJJIND-WMZOPIPTSA-N 2 2 306.413 3.146 20 0 DGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1COc2ccccc2C1 ZINC000328120677 434281093 /nfs/dbraw/zinc/28/10/93/434281093.db2.gz LCUYIMNNBLKYEF-APWZRJJASA-N 2 2 310.441 3.100 20 0 DGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1COc2ccccc2C1 ZINC000328120677 434281100 /nfs/dbraw/zinc/28/11/00/434281100.db2.gz LCUYIMNNBLKYEF-APWZRJJASA-N 2 2 310.441 3.100 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423197363 434282920 /nfs/dbraw/zinc/28/29/20/434282920.db2.gz ZCLDVJSNCSPSQX-TZMCWYRMSA-N 2 2 302.340 3.378 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)c1 ZINC000358009162 434284004 /nfs/dbraw/zinc/28/40/04/434284004.db2.gz CIISAIAJSHZDEC-RLFYNMQTSA-N 2 2 317.477 3.101 20 0 DGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)c1 ZINC000358009162 434284012 /nfs/dbraw/zinc/28/40/12/434284012.db2.gz CIISAIAJSHZDEC-RLFYNMQTSA-N 2 2 317.477 3.101 20 0 DGADLP CC[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)[C@@H](CC)CN1C(C)=O ZINC000353630085 434291213 /nfs/dbraw/zinc/29/12/13/434291213.db2.gz XMUZUQYGIDVDKJ-RBUKOAKNSA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)[C@@H](CC)CN1C(C)=O ZINC000353630085 434291223 /nfs/dbraw/zinc/29/12/23/434291223.db2.gz XMUZUQYGIDVDKJ-RBUKOAKNSA-N 2 2 317.477 3.044 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030546 434295846 /nfs/dbraw/zinc/29/58/46/434295846.db2.gz ASTQUVMFVIVACW-KCQAQPDRSA-N 2 2 316.474 3.338 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030546 434295856 /nfs/dbraw/zinc/29/58/56/434295856.db2.gz ASTQUVMFVIVACW-KCQAQPDRSA-N 2 2 316.474 3.338 20 0 DGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423223158 434296829 /nfs/dbraw/zinc/29/68/29/434296829.db2.gz FBHUZZJXFIOGMU-AWEZNQCLSA-N 2 2 302.393 3.275 20 0 DGADLP Cc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)[C@H](C)C2 ZINC000423228666 434297973 /nfs/dbraw/zinc/29/79/73/434297973.db2.gz DOOCTOUQHWCXRE-FOIQADDNSA-N 2 2 322.456 3.145 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423233325 434298285 /nfs/dbraw/zinc/29/82/85/434298285.db2.gz DPDXTFIYDOZFOC-ACJLOTCBSA-N 2 2 300.450 3.203 20 0 DGADLP Cc1cccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1C ZINC000423229225 434298478 /nfs/dbraw/zinc/29/84/78/434298478.db2.gz GXMKPGSXPAAUHG-MRXNPFEDSA-N 2 2 310.445 3.281 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1csc(Cl)c1 ZINC000423230567 434298591 /nfs/dbraw/zinc/29/85/91/434298591.db2.gz JMGYOEOZPKNJGG-LLVKDONJSA-N 2 2 322.865 3.379 20 0 DGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1Cl ZINC000423232104 434298813 /nfs/dbraw/zinc/29/88/13/434298813.db2.gz MJHYPUNFKYSJHS-CYBMUJFWSA-N 2 2 316.836 3.318 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](C)c3ccc(F)cc3)CC2)c1 ZINC000437595149 434300856 /nfs/dbraw/zinc/30/08/56/434300856.db2.gz YBSHFCAYCPSRFP-INIZCTEOSA-N 2 2 313.420 3.455 20 0 DGADLP C[C@H](CCCC(F)(F)F)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423236160 434302555 /nfs/dbraw/zinc/30/25/55/434302555.db2.gz RPKJXLVVHAYMHK-GFCCVEGCSA-N 2 2 316.371 3.024 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423240621 434303128 /nfs/dbraw/zinc/30/31/28/434303128.db2.gz CMEMUEHLNMBEJW-CVEARBPZSA-N 2 2 300.377 3.111 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423240119 434303828 /nfs/dbraw/zinc/30/38/28/434303828.db2.gz KMFZWSMRYMTRPX-IAGOWNOFSA-N 2 2 304.821 3.317 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000423235981 434303997 /nfs/dbraw/zinc/30/39/97/434303997.db2.gz GYCQASOGKKQQJF-IRXDYDNUSA-N 2 2 300.377 3.329 20 0 DGADLP Cc1cnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000340692726 434304242 /nfs/dbraw/zinc/30/42/42/434304242.db2.gz OEPXRMMUCPIUDQ-QGZVFWFLSA-N 2 2 316.493 3.262 20 0 DGADLP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000340692726 434304253 /nfs/dbraw/zinc/30/42/53/434304253.db2.gz OEPXRMMUCPIUDQ-QGZVFWFLSA-N 2 2 316.493 3.262 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)n1C ZINC000516980925 294646827 /nfs/dbraw/zinc/64/68/27/294646827.db2.gz DZLVQXPKKINBRD-HKUYNNGSSA-N 2 2 313.445 3.294 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423247002 434309895 /nfs/dbraw/zinc/30/98/95/434309895.db2.gz OLODQSLBLDJZPS-OAHLLOKOSA-N 2 2 300.450 3.058 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245843 434311125 /nfs/dbraw/zinc/31/11/25/434311125.db2.gz YUCDCPHOWJYFSD-CZUORRHYSA-N 2 2 315.486 3.445 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C2CC2)c1 ZINC000423252295 434313290 /nfs/dbraw/zinc/31/32/90/434313290.db2.gz XJUDRWRKQBGFTR-WOJBJXKFSA-N 2 2 310.441 3.306 20 0 DGADLP Cc1ccc(CCC[N@H+](CCO)[C@H]2CCc3ccccc32)c[nH+]1 ZINC000353662154 434313667 /nfs/dbraw/zinc/31/36/67/434313667.db2.gz RDRMSYRCMRQOTQ-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1ccc(CCC[N@@H+](CCO)[C@H]2CCc3ccccc32)c[nH+]1 ZINC000353662154 434313679 /nfs/dbraw/zinc/31/36/79/434313679.db2.gz RDRMSYRCMRQOTQ-FQEVSTJZSA-N 2 2 310.441 3.304 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386605655 434314174 /nfs/dbraw/zinc/31/41/74/434314174.db2.gz VRHIHIZXSDXSGF-QFBILLFUSA-N 3 2 303.494 3.149 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000423258651 434318862 /nfs/dbraw/zinc/31/88/62/434318862.db2.gz CFXCZCDBOOBIBQ-GUYCJALGSA-N 2 2 306.450 3.262 20 0 DGADLP CCc1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000353662665 434319529 /nfs/dbraw/zinc/31/95/29/434319529.db2.gz ZMFLMQSETIGQGM-INIZCTEOSA-N 2 2 300.377 3.436 20 0 DGADLP CCc1cccc(F)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000353662665 434319539 /nfs/dbraw/zinc/31/95/39/434319539.db2.gz ZMFLMQSETIGQGM-INIZCTEOSA-N 2 2 300.377 3.436 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423255503 434320856 /nfs/dbraw/zinc/32/08/56/434320856.db2.gz AGLZIEKPTCMDBN-ZANVPECISA-N 2 2 315.230 3.021 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000423268093 434322334 /nfs/dbraw/zinc/32/23/34/434322334.db2.gz FXZWXXXUADFMGD-YGRLFVJLSA-N 2 2 315.255 3.092 20 0 DGADLP COC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000423265713 434322413 /nfs/dbraw/zinc/32/24/13/434322413.db2.gz RGBPYNUTBNAHEF-GJZGRUSLSA-N 2 2 318.383 3.356 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cnn1-c1ccc(F)cc1 ZINC000423267498 434323290 /nfs/dbraw/zinc/32/32/90/434323290.db2.gz TUPMDMJIAOJBLA-CJNGLKHVSA-N 2 2 318.440 3.344 20 0 DGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000353676311 434325536 /nfs/dbraw/zinc/32/55/36/434325536.db2.gz XCXPBHBQDYGLCD-WFASDCNBSA-N 2 2 305.372 3.087 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287310449 434331643 /nfs/dbraw/zinc/33/16/43/434331643.db2.gz LEMOSOPYZNPDPS-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287310449 434331653 /nfs/dbraw/zinc/33/16/53/434331653.db2.gz LEMOSOPYZNPDPS-MDNKFWRPSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323780 434331859 /nfs/dbraw/zinc/33/18/59/434331859.db2.gz YPPWGLQIHWAGNA-IPELMVKDSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000388323780 434331865 /nfs/dbraw/zinc/33/18/65/434331865.db2.gz YPPWGLQIHWAGNA-IPELMVKDSA-N 2 2 302.462 3.054 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295248021 434277437 /nfs/dbraw/zinc/27/74/37/434277437.db2.gz PZRAEPWWEKZMGJ-MRXNPFEDSA-N 2 2 312.461 3.218 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)c1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000358001139 434278043 /nfs/dbraw/zinc/27/80/43/434278043.db2.gz DIRLUBCWICZRFN-UZLBHIALSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)c1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000358001139 434278049 /nfs/dbraw/zinc/27/80/49/434278049.db2.gz DIRLUBCWICZRFN-UZLBHIALSA-N 2 2 324.472 3.210 20 0 DGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000417352068 434363539 /nfs/dbraw/zinc/36/35/39/434363539.db2.gz FFLPODLPSWWQID-LBPRGKRZSA-N 2 2 316.367 3.373 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358171562 434364530 /nfs/dbraw/zinc/36/45/30/434364530.db2.gz RRKOREAHLRQQGJ-IAGOWNOFSA-N 2 2 320.477 3.237 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423329358 434365510 /nfs/dbraw/zinc/36/55/10/434365510.db2.gz LJONUSQGXXIXTH-CYBMUJFWSA-N 2 2 319.474 3.005 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366235267 434365511 /nfs/dbraw/zinc/36/55/11/434365511.db2.gz JOSNBVPGTMLPFS-XHSDSOJGSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366235267 434365520 /nfs/dbraw/zinc/36/55/20/434365520.db2.gz JOSNBVPGTMLPFS-XHSDSOJGSA-N 2 2 320.502 3.312 20 0 DGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358171661 434365686 /nfs/dbraw/zinc/36/56/86/434365686.db2.gz SNXIWAPURCWKEY-QFBILLFUSA-N 2 2 304.478 3.401 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000417354131 434365827 /nfs/dbraw/zinc/36/58/27/434365827.db2.gz LAPPVFJZRUAQEU-QGZVFWFLSA-N 2 2 300.446 3.073 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366235240 434367932 /nfs/dbraw/zinc/36/79/32/434367932.db2.gz JOSNBVPGTMLPFS-ARFHVFGLSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366235240 434367937 /nfs/dbraw/zinc/36/79/37/434367937.db2.gz JOSNBVPGTMLPFS-ARFHVFGLSA-N 2 2 320.502 3.312 20 0 DGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1Br ZINC000423336554 434370938 /nfs/dbraw/zinc/37/09/38/434370938.db2.gz URMXOVWHWKOCRJ-SECBINFHSA-N 2 2 301.203 3.120 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000287482361 434371278 /nfs/dbraw/zinc/37/12/78/434371278.db2.gz KGHDNOOKBHBNGE-HNNXBMFYSA-N 2 2 304.438 3.037 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000287482361 434371284 /nfs/dbraw/zinc/37/12/84/434371284.db2.gz KGHDNOOKBHBNGE-HNNXBMFYSA-N 2 2 304.438 3.037 20 0 DGADLP C[C@@]1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CCC[NH2+]C1 ZINC000423343105 434373951 /nfs/dbraw/zinc/37/39/51/434373951.db2.gz NNQQQBNQNXLOLP-RBUKOAKNSA-N 2 2 313.420 3.289 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358185934 434374903 /nfs/dbraw/zinc/37/49/03/434374903.db2.gz HPIGKXFKOGNAOH-NEPJUHHUSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358185934 434374912 /nfs/dbraw/zinc/37/49/12/434374912.db2.gz HPIGKXFKOGNAOH-NEPJUHHUSA-N 2 2 314.351 3.144 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000423343920 434376423 /nfs/dbraw/zinc/37/64/23/434376423.db2.gz WNIQLDVXUIBMQT-RYGJVYDSSA-N 2 2 310.441 3.492 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@H]1c1ccccc1 ZINC000391979449 434386069 /nfs/dbraw/zinc/38/60/69/434386069.db2.gz ODLZLFIFUIJDND-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1c1ccccc1 ZINC000391979449 434386077 /nfs/dbraw/zinc/38/60/77/434386077.db2.gz ODLZLFIFUIJDND-RBUKOAKNSA-N 2 2 303.409 3.162 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376939 434389925 /nfs/dbraw/zinc/38/99/25/434389925.db2.gz JLHWLEZKWKJYHU-IIBYNOLFSA-N 3 2 321.468 3.215 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC000423376939 434389940 /nfs/dbraw/zinc/38/99/40/434389940.db2.gz JLHWLEZKWKJYHU-IIBYNOLFSA-N 3 2 321.468 3.215 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276478 434335891 /nfs/dbraw/zinc/33/58/91/434335891.db2.gz MXLURRZESHOLEP-MLGOLLRUSA-N 2 2 315.486 3.430 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC(C)(C)[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423282953 434338173 /nfs/dbraw/zinc/33/81/73/434338173.db2.gz DNJXWWVDBLKOSK-NSHDSACASA-N 2 2 306.841 3.222 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423294685 434345410 /nfs/dbraw/zinc/34/54/10/434345410.db2.gz CROULWAQHJINFE-WMLDXEAASA-N 3 2 300.450 3.349 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000423288503 434345755 /nfs/dbraw/zinc/34/57/55/434345755.db2.gz SMGXIUVVGKTFQY-ZDUSSCGKSA-N 2 2 315.230 3.366 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000423288626 434346254 /nfs/dbraw/zinc/34/62/54/434346254.db2.gz TZUBUSDUOBHBTK-KRWDZBQOSA-N 2 2 301.409 3.417 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000389208463 434346361 /nfs/dbraw/zinc/34/63/61/434346361.db2.gz BJRWXAHLTJGENE-IAQYHMDHSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000389208463 434346370 /nfs/dbraw/zinc/34/63/70/434346370.db2.gz BJRWXAHLTJGENE-IAQYHMDHSA-N 2 2 309.251 3.120 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423293775 434346504 /nfs/dbraw/zinc/34/65/04/434346504.db2.gz ASCVCLWBOKHNHM-YTQUADARSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423293775 434346512 /nfs/dbraw/zinc/34/65/12/434346512.db2.gz ASCVCLWBOKHNHM-YTQUADARSA-N 3 2 303.494 3.004 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871549 434350943 /nfs/dbraw/zinc/35/09/43/434350943.db2.gz PXWDEKCEZCSORD-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000389871549 434350949 /nfs/dbraw/zinc/35/09/49/434350949.db2.gz PXWDEKCEZCSORD-MJGOQNOKSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000389852244 434352384 /nfs/dbraw/zinc/35/23/84/434352384.db2.gz WSGOJPOKKNYMBO-UIAACRFSSA-N 2 2 322.452 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000389852244 434352397 /nfs/dbraw/zinc/35/23/97/434352397.db2.gz WSGOJPOKKNYMBO-UIAACRFSSA-N 2 2 322.452 3.490 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423307989 434354697 /nfs/dbraw/zinc/35/46/97/434354697.db2.gz ILRMIHGJZPQHBZ-CYBMUJFWSA-N 2 2 320.868 3.484 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(C)n1 ZINC000287415055 434356282 /nfs/dbraw/zinc/35/62/82/434356282.db2.gz RSWNWJMSVVQYJN-FTRWYGJKSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(C)n1 ZINC000287415055 434356292 /nfs/dbraw/zinc/35/62/92/434356292.db2.gz RSWNWJMSVVQYJN-FTRWYGJKSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cnn1-c1cc(C)ccc1C ZINC000423322115 434356984 /nfs/dbraw/zinc/35/69/84/434356984.db2.gz NOTJFEILIMUVJI-KSSFIOAISA-N 2 2 312.461 3.185 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1sc(C)nc1C)CCC2 ZINC000366208476 434357218 /nfs/dbraw/zinc/35/72/18/434357218.db2.gz IARZGHCFZHJGSN-FZMZJTMJSA-N 2 2 304.463 3.493 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000423323451 434358247 /nfs/dbraw/zinc/35/82/47/434358247.db2.gz HLDJCWAIZUSHLD-FHLIZLRMSA-N 2 2 314.429 3.393 20 0 DGADLP CSc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358169547 434360984 /nfs/dbraw/zinc/36/09/84/434360984.db2.gz PNHBGUNCVIIBPY-GJZGRUSLSA-N 2 2 308.491 3.170 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]1 ZINC000423385918 434394277 /nfs/dbraw/zinc/39/42/77/434394277.db2.gz RKOVRJYCRSUKNQ-HNJNHCNJSA-N 2 2 317.383 3.179 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Cc1ccccc1 ZINC000450763445 434394320 /nfs/dbraw/zinc/39/43/20/434394320.db2.gz PDMSBPGDPKBZIV-OALUTQOASA-N 2 2 312.461 3.088 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Cc1ccccc1 ZINC000450763445 434394333 /nfs/dbraw/zinc/39/43/33/434394333.db2.gz PDMSBPGDPKBZIV-OALUTQOASA-N 2 2 312.461 3.088 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]CC[C@H]2CCOC2)c2ccccc2)CC1 ZINC000438082551 434398132 /nfs/dbraw/zinc/39/81/32/434398132.db2.gz UBIDINBZVKJEHZ-AZUAARDMSA-N 2 2 316.489 3.476 20 0 DGADLP Cc1cc([C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)c2cccnc2)ccc1F ZINC000423394066 434399951 /nfs/dbraw/zinc/39/99/51/434399951.db2.gz ZKNKZOUXCRKBPW-FNHZYXHNSA-N 2 2 313.420 3.349 20 0 DGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)cn1 ZINC000287592312 434403560 /nfs/dbraw/zinc/40/35/60/434403560.db2.gz ICPBBFLBCPOSNO-ZDUSSCGKSA-N 2 2 309.429 3.000 20 0 DGADLP Cc1cc([C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c2cccnc2)ccc1F ZINC000423394068 434403836 /nfs/dbraw/zinc/40/38/36/434403836.db2.gz ZKNKZOUXCRKBPW-YJLNNSPDSA-N 2 2 313.420 3.349 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752281 434405053 /nfs/dbraw/zinc/40/50/53/434405053.db2.gz RWDKNXGFSDZOJE-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752281 434405065 /nfs/dbraw/zinc/40/50/65/434405065.db2.gz RWDKNXGFSDZOJE-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752281 434405074 /nfs/dbraw/zinc/40/50/74/434405074.db2.gz RWDKNXGFSDZOJE-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C[C@@H]1C ZINC000353752281 434405085 /nfs/dbraw/zinc/40/50/85/434405085.db2.gz RWDKNXGFSDZOJE-AAEUAGOBSA-N 2 2 300.368 3.409 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cnn(C2CCCC2)c1 ZINC000423402037 434405156 /nfs/dbraw/zinc/40/51/56/434405156.db2.gz YBVVYIXMLPBMTN-RHSMWYFYSA-N 2 2 304.482 3.427 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752685 434406257 /nfs/dbraw/zinc/40/62/57/434406257.db2.gz TWMYLIWKGSGZRP-OLZOCXBDSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752685 434406262 /nfs/dbraw/zinc/40/62/62/434406262.db2.gz TWMYLIWKGSGZRP-OLZOCXBDSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752685 434406271 /nfs/dbraw/zinc/40/62/71/434406271.db2.gz TWMYLIWKGSGZRP-OLZOCXBDSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752685 434406279 /nfs/dbraw/zinc/40/62/79/434406279.db2.gz TWMYLIWKGSGZRP-OLZOCXBDSA-N 2 2 315.383 3.405 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000394737125 434407316 /nfs/dbraw/zinc/40/73/16/434407316.db2.gz WTGBCQJEVKPRRN-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000394737125 434407326 /nfs/dbraw/zinc/40/73/26/434407326.db2.gz WTGBCQJEVKPRRN-MRXNPFEDSA-N 2 2 301.459 3.063 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107106 434407345 /nfs/dbraw/zinc/40/73/45/434407345.db2.gz HOTUZVAPQBKFAL-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107106 434407356 /nfs/dbraw/zinc/40/73/56/434407356.db2.gz HOTUZVAPQBKFAL-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107106 434407365 /nfs/dbraw/zinc/40/73/65/434407365.db2.gz HOTUZVAPQBKFAL-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107106 434407374 /nfs/dbraw/zinc/40/73/74/434407374.db2.gz HOTUZVAPQBKFAL-AWEZNQCLSA-N 2 2 303.425 3.471 20 0 DGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423413036 434409738 /nfs/dbraw/zinc/40/97/38/434409738.db2.gz JHXZMINTSQYUOD-GDBMZVCRSA-N 2 2 314.832 3.288 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@H]1CCCC[NH2+]1 ZINC000395126895 434410542 /nfs/dbraw/zinc/41/05/42/434410542.db2.gz OJPKRFVLJYQHFS-BXKDBHETSA-N 2 2 303.269 3.131 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)CCC[NH2+]1 ZINC000423408707 434412193 /nfs/dbraw/zinc/41/21/93/434412193.db2.gz AWGZSOPWFVYFLH-SFTDATJTSA-N 2 2 324.468 3.443 20 0 DGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000423419767 434414044 /nfs/dbraw/zinc/41/40/44/434414044.db2.gz JDBTZUDNLIRDPH-WFASDCNBSA-N 2 2 316.367 3.125 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395887133 434420924 /nfs/dbraw/zinc/42/09/24/434420924.db2.gz JONVUHUHUNHDMR-BQFCYCMXSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395887133 434420932 /nfs/dbraw/zinc/42/09/32/434420932.db2.gz JONVUHUHUNHDMR-BQFCYCMXSA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000348640783 434427186 /nfs/dbraw/zinc/42/71/86/434427186.db2.gz JSSBHIXSLUEMCI-SOLBZPMBSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000348640783 434427196 /nfs/dbraw/zinc/42/71/96/434427196.db2.gz JSSBHIXSLUEMCI-SOLBZPMBSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423455503 434433645 /nfs/dbraw/zinc/43/36/45/434433645.db2.gz COOJRZKQRKQBCS-STQMWFEESA-N 2 2 306.397 3.436 20 0 DGADLP C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C[C@H]1CCC[NH+](C)C1 ZINC000340917153 434434081 /nfs/dbraw/zinc/43/40/81/434434081.db2.gz NLZTVQGDVPOXFR-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP C[N@H+](Cc1cc(Cl)cc2c1OCC2)C[C@H]1CCC[NH+](C)C1 ZINC000340917153 434434089 /nfs/dbraw/zinc/43/40/89/434434089.db2.gz NLZTVQGDVPOXFR-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP C[NH+](Cc1cc(Cl)cc2c1OCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000340917153 434434099 /nfs/dbraw/zinc/43/40/99/434434099.db2.gz NLZTVQGDVPOXFR-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP C[NH+](Cc1cc(Cl)cc2c1OCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000340917153 434434107 /nfs/dbraw/zinc/43/41/07/434434107.db2.gz NLZTVQGDVPOXFR-ZDUSSCGKSA-N 2 2 308.853 3.049 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000397344989 434438728 /nfs/dbraw/zinc/43/87/28/434438728.db2.gz GCFIIKQHOURVSL-RDBSUJKOSA-N 2 2 316.474 3.010 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000397344989 434438732 /nfs/dbraw/zinc/43/87/32/434438732.db2.gz GCFIIKQHOURVSL-RDBSUJKOSA-N 2 2 316.474 3.010 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423485551 434448852 /nfs/dbraw/zinc/44/88/52/434448852.db2.gz AWBLVONPBVTCMK-CMPLNLGQSA-N 2 2 303.233 3.023 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423475745 434441266 /nfs/dbraw/zinc/44/12/66/434441266.db2.gz RYXUXLGZZLECKX-IUODEOHRSA-N 2 2 303.475 3.430 20 0 DGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502316 434461887 /nfs/dbraw/zinc/46/18/87/434461887.db2.gz FCBSEMNQUHGMNX-XWPNQZOQSA-N 2 2 310.441 3.108 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423517437 434470856 /nfs/dbraw/zinc/47/08/56/434470856.db2.gz YTKCCNBSQJEVLR-NHYWBVRUSA-N 2 2 310.413 3.011 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000423515141 434472242 /nfs/dbraw/zinc/47/22/42/434472242.db2.gz FLYLVERVOOWVAS-WFASDCNBSA-N 2 2 317.260 3.413 20 0 DGADLP COc1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)sn1 ZINC000399200722 434474782 /nfs/dbraw/zinc/47/47/82/434474782.db2.gz LGYLOQSGAQNUNC-CQSZACIVSA-N 2 2 319.474 3.152 20 0 DGADLP COc1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)sn1 ZINC000399200722 434474795 /nfs/dbraw/zinc/47/47/95/434474795.db2.gz LGYLOQSGAQNUNC-CQSZACIVSA-N 2 2 319.474 3.152 20 0 DGADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1Br ZINC000423523335 434476608 /nfs/dbraw/zinc/47/66/08/434476608.db2.gz IGFSIUPODCUDPM-JTQLQIEISA-N 2 2 315.230 3.381 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399762756 434480828 /nfs/dbraw/zinc/48/08/28/434480828.db2.gz TZXGDBMXUDFFQH-FXAWDEMLSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399762756 434480836 /nfs/dbraw/zinc/48/08/36/434480836.db2.gz TZXGDBMXUDFFQH-FXAWDEMLSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c2cccc(F)c2[nH+]1 ZINC000366739792 434498869 /nfs/dbraw/zinc/49/88/69/434498869.db2.gz QISMYTUGCCDLHP-ZDUSSCGKSA-N 2 2 310.376 3.410 20 0 DGADLP CC(C)Cc1ccc([C@H](C[NH2+]C2CCC(O)CC2)[NH+](C)C)cc1 ZINC000348702285 434449903 /nfs/dbraw/zinc/44/99/03/434449903.db2.gz QMGGIKAVXCKBOR-MHJFOBGBSA-N 2 2 318.505 3.381 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000398026194 434452586 /nfs/dbraw/zinc/45/25/86/434452586.db2.gz LZLYYIIFKBIYTD-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000398026194 434452596 /nfs/dbraw/zinc/45/25/96/434452596.db2.gz LZLYYIIFKBIYTD-NXWXRZEISA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)c1 ZINC000423492196 434453103 /nfs/dbraw/zinc/45/31/03/434453103.db2.gz MAYLBPJBOIRUDP-TZIWHRDSSA-N 2 2 324.468 3.361 20 0 DGADLP COC1(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)CCCC1 ZINC000359978048 434455288 /nfs/dbraw/zinc/45/52/88/434455288.db2.gz VLUHUGFCEAVNLD-UHFFFAOYSA-N 2 2 301.434 3.284 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(Br)c2)[C@@H]1CC[NH3+] ZINC000404281271 434511046 /nfs/dbraw/zinc/51/10/46/434511046.db2.gz FFACZFDWQOMOHG-ZYHUDNBSSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)[C@@H]1CC[NH3+] ZINC000404281271 434511053 /nfs/dbraw/zinc/51/10/53/434511053.db2.gz FFACZFDWQOMOHG-ZYHUDNBSSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)[C@H]1CC[NH3+] ZINC000404347745 434512383 /nfs/dbraw/zinc/51/23/83/434512383.db2.gz HTUKDKNSVUMRCI-CJNGLKHVSA-N 2 2 316.474 3.154 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)[C@H]1CC[NH3+] ZINC000404347745 434512388 /nfs/dbraw/zinc/51/23/88/434512388.db2.gz HTUKDKNSVUMRCI-CJNGLKHVSA-N 2 2 316.474 3.154 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348835772 434515464 /nfs/dbraw/zinc/51/54/64/434515464.db2.gz UPCWTHRTFNYPCF-HNNXBMFYSA-N 2 2 322.412 3.465 20 0 DGADLP Cc1ccc2[nH+]c(CN[C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000341061761 434519221 /nfs/dbraw/zinc/51/92/21/434519221.db2.gz XWZKKYYKKPSVKA-BRWVUGGUSA-N 2 2 314.477 3.099 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@H]2CCCC[C@H]2[NH3+])[nH+]1 ZINC000423771875 434529567 /nfs/dbraw/zinc/52/95/67/434529567.db2.gz KCDGJUZTTIGIFL-UKRRQHHQSA-N 2 2 312.417 3.231 20 0 DGADLP C[N@H+](Cc1cnc([C@@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348879890 434540741 /nfs/dbraw/zinc/54/07/41/434540741.db2.gz UDNBSRBKUSPOCR-DXBFTMOHSA-N 2 2 321.490 3.052 20 0 DGADLP C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348879890 434540746 /nfs/dbraw/zinc/54/07/46/434540746.db2.gz UDNBSRBKUSPOCR-DXBFTMOHSA-N 2 2 321.490 3.052 20 0 DGADLP C[NH+](Cc1cnc([C@@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348879890 434540752 /nfs/dbraw/zinc/54/07/52/434540752.db2.gz UDNBSRBKUSPOCR-DXBFTMOHSA-N 2 2 321.490 3.052 20 0 DGADLP C[NH+](Cc1cnc([C@@H]2CCCO2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348879890 434540759 /nfs/dbraw/zinc/54/07/59/434540759.db2.gz UDNBSRBKUSPOCR-DXBFTMOHSA-N 2 2 321.490 3.052 20 0 DGADLP CCn1c[nH+]cc1CNCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000417928602 434550829 /nfs/dbraw/zinc/55/08/29/434550829.db2.gz HTPMHTHALRWWKO-HNNXBMFYSA-N 2 2 300.450 3.122 20 0 DGADLP Cc1ccc(C[NH+](CCC[NH+](C)C)CCC[NH+](C)C)cc1C ZINC000348905158 434552270 /nfs/dbraw/zinc/55/22/70/434552270.db2.gz QBFGAXUDRSQOHO-UHFFFAOYSA-N 3 2 305.510 3.009 20 0 DGADLP CCn1c[nH+]cc1CNCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000417928604 434552326 /nfs/dbraw/zinc/55/23/26/434552326.db2.gz HTPMHTHALRWWKO-OAHLLOKOSA-N 2 2 300.450 3.122 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)CC2 ZINC000360241171 434557713 /nfs/dbraw/zinc/55/77/13/434557713.db2.gz IHNWRBPVANLUOE-HXUWFJFHSA-N 2 2 310.441 3.404 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)CC2 ZINC000360241171 434557721 /nfs/dbraw/zinc/55/77/21/434557721.db2.gz IHNWRBPVANLUOE-HXUWFJFHSA-N 2 2 310.441 3.404 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000360238949 434558268 /nfs/dbraw/zinc/55/82/68/434558268.db2.gz PPJYWZKBNYZUAO-GOSISDBHSA-N 2 2 316.489 3.023 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108226 295057696 /nfs/dbraw/zinc/05/76/96/295057696.db2.gz LJPMDLDCXARFSH-MAUKXSAKSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000526108226 295057700 /nfs/dbraw/zinc/05/77/00/295057700.db2.gz LJPMDLDCXARFSH-MAUKXSAKSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672270 295113406 /nfs/dbraw/zinc/11/34/06/295113406.db2.gz GMSHLZOFWQMAAX-JOYOIKCWSA-N 2 2 304.381 3.339 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672270 295113405 /nfs/dbraw/zinc/11/34/05/295113405.db2.gz GMSHLZOFWQMAAX-JOYOIKCWSA-N 2 2 304.381 3.339 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011961 434573590 /nfs/dbraw/zinc/57/35/90/434573590.db2.gz YHWQQEDEHJIGQV-GDBMZVCRSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011961 434573600 /nfs/dbraw/zinc/57/36/00/434573600.db2.gz YHWQQEDEHJIGQV-GDBMZVCRSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011961 434573609 /nfs/dbraw/zinc/57/36/09/434573609.db2.gz YHWQQEDEHJIGQV-GDBMZVCRSA-N 2 2 323.506 3.158 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354011961 434573614 /nfs/dbraw/zinc/57/36/14/434573614.db2.gz YHWQQEDEHJIGQV-GDBMZVCRSA-N 2 2 323.506 3.158 20 0 DGADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000527866776 295142883 /nfs/dbraw/zinc/14/28/83/295142883.db2.gz WKWATWCQWGUVGM-FCEWJHQRSA-N 2 2 303.494 3.097 20 0 DGADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527866776 295142886 /nfs/dbraw/zinc/14/28/86/295142886.db2.gz WKWATWCQWGUVGM-FCEWJHQRSA-N 2 2 303.494 3.097 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000527893705 295146367 /nfs/dbraw/zinc/14/63/67/295146367.db2.gz FIAPOUCITUOIER-CVEARBPZSA-N 2 2 303.450 3.181 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000527893705 295146369 /nfs/dbraw/zinc/14/63/69/295146369.db2.gz FIAPOUCITUOIER-CVEARBPZSA-N 2 2 303.450 3.181 20 0 DGADLP COc1ccc[nH+]c1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000527939522 295154073 /nfs/dbraw/zinc/15/40/73/295154073.db2.gz QFTUYVJMQAGMCE-UHFFFAOYSA-N 2 2 303.450 3.183 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000527998304 295162657 /nfs/dbraw/zinc/16/26/57/295162657.db2.gz YDYBDVKPEJESPO-BUXKBTBVSA-N 2 2 315.436 3.230 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000527998304 295162658 /nfs/dbraw/zinc/16/26/58/295162658.db2.gz YDYBDVKPEJESPO-BUXKBTBVSA-N 2 2 315.436 3.230 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000527998305 295162731 /nfs/dbraw/zinc/16/27/31/295162731.db2.gz YDYBDVKPEJESPO-CWTRNNRKSA-N 2 2 315.436 3.230 20 0 DGADLP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000527998305 295162732 /nfs/dbraw/zinc/16/27/32/295162732.db2.gz YDYBDVKPEJESPO-CWTRNNRKSA-N 2 2 315.436 3.230 20 0 DGADLP Cc1ccc2sc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)nc2c1 ZINC000528426497 295212847 /nfs/dbraw/zinc/21/28/47/295212847.db2.gz LCADSYNBXOREHH-ZDUSSCGKSA-N 2 2 312.442 3.328 20 0 DGADLP Cc1ccc2sc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)nc2c1 ZINC000528426497 295212849 /nfs/dbraw/zinc/21/28/49/295212849.db2.gz LCADSYNBXOREHH-ZDUSSCGKSA-N 2 2 312.442 3.328 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccco2)cc1 ZINC000423326706 295225569 /nfs/dbraw/zinc/22/55/69/295225569.db2.gz JQHIQGSGIISROU-XOKHGSTOSA-N 2 2 300.402 3.085 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528600989 295230133 /nfs/dbraw/zinc/23/01/33/295230133.db2.gz XQKLYWJWMOZGQG-UHFFFAOYSA-N 2 2 310.445 3.078 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528600989 295230135 /nfs/dbraw/zinc/23/01/35/295230135.db2.gz XQKLYWJWMOZGQG-UHFFFAOYSA-N 2 2 310.445 3.078 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422699838 295297083 /nfs/dbraw/zinc/29/70/83/295297083.db2.gz BHOAHEOUQKLVDF-RTBURBONSA-N 2 2 319.468 3.040 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1([NH+](C)C)CC1 ZINC000418117362 434592173 /nfs/dbraw/zinc/59/21/73/434592173.db2.gz SRFWUXJXTLJTEY-RAXLEYEMSA-N 2 2 310.388 3.375 20 0 DGADLP C[C@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000418116634 434593244 /nfs/dbraw/zinc/59/32/44/434593244.db2.gz RGHARYPCCLOYST-GFCCVEGCSA-N 2 2 300.368 3.493 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000493736394 295366104 /nfs/dbraw/zinc/36/61/04/295366104.db2.gz OBCLZNRXDQXDCC-AYOQOUSVSA-N 2 2 316.489 3.335 20 0 DGADLP COc1ccccc1C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000493736394 295366108 /nfs/dbraw/zinc/36/61/08/295366108.db2.gz OBCLZNRXDQXDCC-AYOQOUSVSA-N 2 2 316.489 3.335 20 0 DGADLP OC[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000418130556 434595684 /nfs/dbraw/zinc/59/56/84/434595684.db2.gz UWNMQTCZDJWPPE-GOSISDBHSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459570996 434614081 /nfs/dbraw/zinc/61/40/81/434614081.db2.gz QGRSSPOKVNLDQE-HNAYVOBHSA-N 2 2 322.456 3.107 20 0 DGADLP C[C@H]1[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459570996 434614089 /nfs/dbraw/zinc/61/40/89/434614089.db2.gz QGRSSPOKVNLDQE-HNAYVOBHSA-N 2 2 322.456 3.107 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105863 434620937 /nfs/dbraw/zinc/62/09/37/434620937.db2.gz FNCBOAJPISWJDB-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105863 434620943 /nfs/dbraw/zinc/62/09/43/434620943.db2.gz FNCBOAJPISWJDB-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105863 434620950 /nfs/dbraw/zinc/62/09/50/434620950.db2.gz FNCBOAJPISWJDB-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354105863 434620955 /nfs/dbraw/zinc/62/09/55/434620955.db2.gz FNCBOAJPISWJDB-KBPBESRZSA-N 2 2 307.507 3.042 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000349147676 434622548 /nfs/dbraw/zinc/62/25/48/434622548.db2.gz INRPHSNRSMWGNH-ZDUSSCGKSA-N 2 2 302.447 3.134 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000349147676 434622553 /nfs/dbraw/zinc/62/25/53/434622553.db2.gz INRPHSNRSMWGNH-ZDUSSCGKSA-N 2 2 302.447 3.134 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000349181807 434627491 /nfs/dbraw/zinc/62/74/91/434627491.db2.gz FIBBWRUPNBYXIM-GOSISDBHSA-N 2 2 318.424 3.472 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000349181807 434627499 /nfs/dbraw/zinc/62/74/99/434627499.db2.gz FIBBWRUPNBYXIM-GOSISDBHSA-N 2 2 318.424 3.472 20 0 DGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000424157024 434638728 /nfs/dbraw/zinc/63/87/28/434638728.db2.gz OXEJRVAZBZWURF-HOTGVXAUSA-N 2 2 306.498 3.310 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000459632578 434639930 /nfs/dbraw/zinc/63/99/30/434639930.db2.gz LPYQTLRNOFAPOR-HDICACEKSA-N 2 2 322.880 3.462 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148305 434640522 /nfs/dbraw/zinc/64/05/22/434640522.db2.gz XLHCYJHBHYJTFT-CABCVRRESA-N 2 2 320.477 3.270 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000354148305 434640524 /nfs/dbraw/zinc/64/05/24/434640524.db2.gz XLHCYJHBHYJTFT-CABCVRRESA-N 2 2 320.477 3.270 20 0 DGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354159726 434644953 /nfs/dbraw/zinc/64/49/53/434644953.db2.gz VSOTWBBFHMQEBH-RDJZCZTQSA-N 2 2 317.408 3.306 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459569374 434612377 /nfs/dbraw/zinc/61/23/77/434612377.db2.gz NAKMHVFPJSHPQA-DDBAPUKQSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459569374 434612386 /nfs/dbraw/zinc/61/23/86/434612386.db2.gz NAKMHVFPJSHPQA-DDBAPUKQSA-N 2 2 322.518 3.006 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n1-c1ccccc1 ZINC000459745911 434696008 /nfs/dbraw/zinc/69/60/08/434696008.db2.gz YUZOCSBZZZMTDR-QGZVFWFLSA-N 3 2 312.461 3.002 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1-c1ccccc1 ZINC000459745911 434696013 /nfs/dbraw/zinc/69/60/13/434696013.db2.gz YUZOCSBZZZMTDR-QGZVFWFLSA-N 3 2 312.461 3.002 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1nccn1C ZINC000360791892 434696560 /nfs/dbraw/zinc/69/65/60/434696560.db2.gz IOKHSLHRBVIUOW-HNNXBMFYSA-N 2 2 304.482 3.115 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc2c1OCCCO2 ZINC000349374671 434696940 /nfs/dbraw/zinc/69/69/40/434696940.db2.gz ZAADBSRMAXIJAS-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2c1OCCCO2 ZINC000349374671 434696945 /nfs/dbraw/zinc/69/69/45/434696945.db2.gz ZAADBSRMAXIJAS-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)o1 ZINC000349379598 434698295 /nfs/dbraw/zinc/69/82/95/434698295.db2.gz CCOORYKXIHDQDE-UHFFFAOYSA-N 2 2 315.255 3.350 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)o1 ZINC000349379598 434698301 /nfs/dbraw/zinc/69/83/01/434698301.db2.gz CCOORYKXIHDQDE-UHFFFAOYSA-N 2 2 315.255 3.350 20 0 DGADLP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)nc1 ZINC000349243493 434646860 /nfs/dbraw/zinc/64/68/60/434646860.db2.gz MVJSECFBNJSJIK-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP Cc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)nc1 ZINC000349243493 434646867 /nfs/dbraw/zinc/64/68/67/434646867.db2.gz MVJSECFBNJSJIK-UHFFFAOYSA-N 2 2 309.457 3.486 20 0 DGADLP CC(C)n1c[nH+]cc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000424191498 434652754 /nfs/dbraw/zinc/65/27/54/434652754.db2.gz NQWOUAGKYMFJCR-KRWDZBQOSA-N 2 2 304.482 3.351 20 0 DGADLP CC(C)n1c[nH+]cc1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000424191498 434652763 /nfs/dbraw/zinc/65/27/63/434652763.db2.gz NQWOUAGKYMFJCR-KRWDZBQOSA-N 2 2 304.482 3.351 20 0 DGADLP C[NH+]1CCC([N@H+](C/C=C\c2ccncc2)Cc2ccco2)CC1 ZINC000349252900 434652815 /nfs/dbraw/zinc/65/28/15/434652815.db2.gz VMCRYNWQOBPDOF-RQOWECAXSA-N 2 2 311.429 3.284 20 0 DGADLP C[NH+]1CCC([N@@H+](C/C=C\c2ccncc2)Cc2ccco2)CC1 ZINC000349252900 434652819 /nfs/dbraw/zinc/65/28/19/434652819.db2.gz VMCRYNWQOBPDOF-RQOWECAXSA-N 2 2 311.429 3.284 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000459672838 434656373 /nfs/dbraw/zinc/65/63/73/434656373.db2.gz GWIRDXPQEPSNBX-IHJVYAAUSA-N 2 2 316.489 3.444 20 0 DGADLP COC1CCC([NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459672838 434656380 /nfs/dbraw/zinc/65/63/80/434656380.db2.gz GWIRDXPQEPSNBX-IHJVYAAUSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000354192235 434663541 /nfs/dbraw/zinc/66/35/41/434663541.db2.gz RUVLMXQZMRKPRP-LSDHHAIUSA-N 2 2 301.434 3.290 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000440060884 434675099 /nfs/dbraw/zinc/67/50/99/434675099.db2.gz HYJOWUMYZFHPJG-FRPQEJHRSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000440060884 434675103 /nfs/dbraw/zinc/67/51/03/434675103.db2.gz HYJOWUMYZFHPJG-FRPQEJHRSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060884 434675110 /nfs/dbraw/zinc/67/51/10/434675110.db2.gz HYJOWUMYZFHPJG-FRPQEJHRSA-N 2 2 308.510 3.265 20 0 DGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000440060884 434675116 /nfs/dbraw/zinc/67/51/16/434675116.db2.gz HYJOWUMYZFHPJG-FRPQEJHRSA-N 2 2 308.510 3.265 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223934 434676343 /nfs/dbraw/zinc/67/63/43/434676343.db2.gz MAUWRAICXQVXMB-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223934 434676352 /nfs/dbraw/zinc/67/63/52/434676352.db2.gz MAUWRAICXQVXMB-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223934 434676359 /nfs/dbraw/zinc/67/63/59/434676359.db2.gz MAUWRAICXQVXMB-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223934 434676366 /nfs/dbraw/zinc/67/63/66/434676366.db2.gz MAUWRAICXQVXMB-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000360967274 434746564 /nfs/dbraw/zinc/74/65/64/434746564.db2.gz WYKUTPGJDLCINH-OAHLLOKOSA-N 2 2 310.445 3.193 20 0 DGADLP Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000360967274 434746567 /nfs/dbraw/zinc/74/65/67/434746567.db2.gz WYKUTPGJDLCINH-OAHLLOKOSA-N 2 2 310.445 3.193 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000424338205 434702254 /nfs/dbraw/zinc/70/22/54/434702254.db2.gz UDIGAQDCGTWKFP-HUUCEWRRSA-N 2 2 305.422 3.309 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349412307 434708377 /nfs/dbraw/zinc/70/83/77/434708377.db2.gz BNBXHIZDCSFYKW-UHFFFAOYSA-N 3 2 300.450 3.036 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349412307 434708383 /nfs/dbraw/zinc/70/83/83/434708383.db2.gz BNBXHIZDCSFYKW-UHFFFAOYSA-N 3 2 300.450 3.036 20 0 DGADLP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000360863271 434713612 /nfs/dbraw/zinc/71/36/12/434713612.db2.gz AHGIBONGQZCDDH-RDTXWAMCSA-N 2 2 322.456 3.017 20 0 DGADLP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000360863271 434713618 /nfs/dbraw/zinc/71/36/18/434713618.db2.gz AHGIBONGQZCDDH-RDTXWAMCSA-N 2 2 322.456 3.017 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459778986 434716329 /nfs/dbraw/zinc/71/63/29/434716329.db2.gz UJRKQPJDILRIJU-OAHLLOKOSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459778986 434716336 /nfs/dbraw/zinc/71/63/36/434716336.db2.gz UJRKQPJDILRIJU-OAHLLOKOSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1ccc(CCC[NH2+]CCc2nc3c(s2)CCCC3)c[nH+]1 ZINC000354325416 434722531 /nfs/dbraw/zinc/72/25/31/434722531.db2.gz AJZFBSXBSPGFQA-UHFFFAOYSA-N 2 2 315.486 3.490 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@H]2C)CC1 ZINC000360953522 434742482 /nfs/dbraw/zinc/74/24/82/434742482.db2.gz GWYDFHQOUFJUKT-SJORKVTESA-N 2 2 324.509 3.210 20 0 DGADLP CC[C@H](C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)OC ZINC000419299783 434768598 /nfs/dbraw/zinc/76/85/98/434768598.db2.gz ZMBYMVZNZWOZLO-MRXNPFEDSA-N 2 2 301.434 3.407 20 0 DGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424709633 434784313 /nfs/dbraw/zinc/78/43/13/434784313.db2.gz ABHKKBLHPNOYHL-UHFFFAOYSA-N 2 2 301.369 3.007 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1=O ZINC000411564898 434801975 /nfs/dbraw/zinc/80/19/75/434801975.db2.gz WOLKUGDOHYFRJV-INIZCTEOSA-N 2 2 300.446 3.083 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1=O ZINC000411564898 434801977 /nfs/dbraw/zinc/80/19/77/434801977.db2.gz WOLKUGDOHYFRJV-INIZCTEOSA-N 2 2 300.446 3.083 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000453134398 434811181 /nfs/dbraw/zinc/81/11/81/434811181.db2.gz RVNKYAXBSJQTAD-QAETUUGQSA-N 2 2 304.482 3.379 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201256 434827883 /nfs/dbraw/zinc/82/78/83/434827883.db2.gz WOTVZZFNQMEOOH-OWCLPIDISA-N 2 2 304.482 3.207 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201256 434827888 /nfs/dbraw/zinc/82/78/88/434827888.db2.gz WOTVZZFNQMEOOH-OWCLPIDISA-N 2 2 304.482 3.207 20 0 DGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCO1 ZINC000453243055 434837997 /nfs/dbraw/zinc/83/79/97/434837997.db2.gz YFRUOBHJLMOOEB-BLLLJJGKSA-N 2 2 305.809 3.183 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000453263668 434845444 /nfs/dbraw/zinc/84/54/44/434845444.db2.gz LVAOTLLXFHDZHH-VQTJNVASSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC000453263668 434845446 /nfs/dbraw/zinc/84/54/46/434845446.db2.gz LVAOTLLXFHDZHH-VQTJNVASSA-N 2 2 316.489 3.354 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453272821 434845989 /nfs/dbraw/zinc/84/59/89/434845989.db2.gz VIPKMKTZRJTFSV-WBVHZDCISA-N 2 2 322.518 3.296 20 0 DGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453272821 434845992 /nfs/dbraw/zinc/84/59/92/434845992.db2.gz VIPKMKTZRJTFSV-WBVHZDCISA-N 2 2 322.518 3.296 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1csnn1 ZINC000412031867 434858219 /nfs/dbraw/zinc/85/82/19/434858219.db2.gz CUJPGSPCJQKAKD-CQSZACIVSA-N 2 2 316.474 3.375 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)n1C ZINC000521273269 434878405 /nfs/dbraw/zinc/87/84/05/434878405.db2.gz NCBQXDCDBNNXHK-QGZVFWFLSA-N 2 2 319.424 3.451 20 0 DGADLP COc1cccc2c(NC[C@H]3CC[N@@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000573266435 434886096 /nfs/dbraw/zinc/88/60/96/434886096.db2.gz XDXIVTGYKLEKGM-CQSZACIVSA-N 2 2 311.429 3.448 20 0 DGADLP COc1cccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000573266435 434886100 /nfs/dbraw/zinc/88/61/00/434886100.db2.gz XDXIVTGYKLEKGM-CQSZACIVSA-N 2 2 311.429 3.448 20 0 DGADLP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c2c(Br)cccc12 ZINC000553706058 434899147 /nfs/dbraw/zinc/89/91/47/434899147.db2.gz HAYMILPOWNJEFE-JTQLQIEISA-N 2 2 308.223 3.359 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950402 434914189 /nfs/dbraw/zinc/91/41/89/434914189.db2.gz DKNUTQCDZPMWII-IAGOWNOFSA-N 2 2 310.445 3.116 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950402 434914192 /nfs/dbraw/zinc/91/41/92/434914192.db2.gz DKNUTQCDZPMWII-IAGOWNOFSA-N 2 2 310.445 3.116 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950405 434914421 /nfs/dbraw/zinc/91/44/21/434914421.db2.gz DKNUTQCDZPMWII-SJORKVTESA-N 2 2 310.445 3.116 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950405 434914423 /nfs/dbraw/zinc/91/44/23/434914423.db2.gz DKNUTQCDZPMWII-SJORKVTESA-N 2 2 310.445 3.116 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101979 434874794 /nfs/dbraw/zinc/87/47/94/434874794.db2.gz QKPMCWFERJKEON-CMPLNLGQSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cc(Cl)ccc1Cl ZINC000573101979 434874799 /nfs/dbraw/zinc/87/47/99/434874799.db2.gz QKPMCWFERJKEON-CMPLNLGQSA-N 2 2 303.233 3.184 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000554557455 434936622 /nfs/dbraw/zinc/93/66/22/434936622.db2.gz OIBNAUVMZCFHIB-QRQLOZEOSA-N 2 2 314.473 3.056 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000554557455 434936627 /nfs/dbraw/zinc/93/66/27/434936627.db2.gz OIBNAUVMZCFHIB-QRQLOZEOSA-N 2 2 314.473 3.056 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)CC2CCCCC2)CC1 ZINC000462911249 434937766 /nfs/dbraw/zinc/93/77/66/434937766.db2.gz KQPSGZXVDNUSLG-MRXNPFEDSA-N 2 2 324.509 3.353 20 0 DGADLP Cc1cc(C[NH3+])oc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000638093442 434951060 /nfs/dbraw/zinc/95/10/60/434951060.db2.gz UKNRNKPOQACLEM-UHFFFAOYSA-N 2 2 324.384 3.443 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(CC)OC ZINC000638105500 434953484 /nfs/dbraw/zinc/95/34/84/434953484.db2.gz SPPFTCODWRQFID-LJQANCHMSA-N 2 2 319.493 3.435 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(CC)OC ZINC000638105500 434953487 /nfs/dbraw/zinc/95/34/87/434953487.db2.gz SPPFTCODWRQFID-LJQANCHMSA-N 2 2 319.493 3.435 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638115783 434956072 /nfs/dbraw/zinc/95/60/72/434956072.db2.gz GLIOORMUHJGSSX-ZWNOBZJWSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638115783 434956076 /nfs/dbraw/zinc/95/60/76/434956076.db2.gz GLIOORMUHJGSSX-ZWNOBZJWSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115783 434956079 /nfs/dbraw/zinc/95/60/79/434956079.db2.gz GLIOORMUHJGSSX-ZWNOBZJWSA-N 2 2 316.276 3.490 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115783 434956081 /nfs/dbraw/zinc/95/60/81/434956081.db2.gz GLIOORMUHJGSSX-ZWNOBZJWSA-N 2 2 316.276 3.490 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183075 434973648 /nfs/dbraw/zinc/97/36/48/434973648.db2.gz SRQQMCBMBDRQLL-PBHICJAKSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183075 434973649 /nfs/dbraw/zinc/97/36/49/434973649.db2.gz SRQQMCBMBDRQLL-PBHICJAKSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000638183075 434973653 /nfs/dbraw/zinc/97/36/53/434973653.db2.gz SRQQMCBMBDRQLL-PBHICJAKSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000638183075 434973656 /nfs/dbraw/zinc/97/36/56/434973656.db2.gz SRQQMCBMBDRQLL-PBHICJAKSA-N 2 2 321.415 3.468 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(F)c3N)C2)CC1 ZINC000637976980 434921731 /nfs/dbraw/zinc/92/17/31/434921731.db2.gz FZAYDHBJLNGTNP-MRXNPFEDSA-N 2 2 319.468 3.352 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(F)c3N)C2)CC1 ZINC000637976980 434921733 /nfs/dbraw/zinc/92/17/33/434921733.db2.gz FZAYDHBJLNGTNP-MRXNPFEDSA-N 2 2 319.468 3.352 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H](C)C3)CC2)c1 ZINC000462673111 434924190 /nfs/dbraw/zinc/92/41/90/434924190.db2.gz HMDCWFGRZSYWOX-RTBURBONSA-N 2 2 315.505 3.285 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000554402871 434926804 /nfs/dbraw/zinc/92/68/04/434926804.db2.gz CURVJETWHQMAPS-GDAAHCPNSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000554402871 434926807 /nfs/dbraw/zinc/92/68/07/434926807.db2.gz CURVJETWHQMAPS-GDAAHCPNSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464059097 434975709 /nfs/dbraw/zinc/97/57/09/434975709.db2.gz MZLQTMADVQQEPN-NEWSRXKRSA-N 2 2 316.489 3.269 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882356 434933539 /nfs/dbraw/zinc/93/35/39/434933539.db2.gz GKLXVXPXSBGWKG-FOPWJLFCSA-N 2 2 306.400 3.283 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882356 434933543 /nfs/dbraw/zinc/93/35/43/434933543.db2.gz GKLXVXPXSBGWKG-FOPWJLFCSA-N 2 2 306.400 3.283 20 0 DGADLP CCc1ccc(/C=C/C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)o1 ZINC000492565737 435013119 /nfs/dbraw/zinc/01/31/19/435013119.db2.gz MRVSSDHVTQRCCV-AATRIKPKSA-N 2 2 308.341 3.075 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000556606043 435015338 /nfs/dbraw/zinc/01/53/38/435015338.db2.gz QIXYSVRUQRPWQM-GOSISDBHSA-N 2 2 311.429 3.395 20 0 DGADLP c1cnn(C2CC([NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)C2)c1 ZINC000638286537 434996261 /nfs/dbraw/zinc/99/62/61/434996261.db2.gz PGTMWRIXXSXZIC-ACBHZAAOSA-N 2 2 310.445 3.013 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000556200111 434999207 /nfs/dbraw/zinc/99/92/07/434999207.db2.gz ZFMJLECOPUYMLQ-GFCCVEGCSA-N 2 2 307.401 3.007 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)c21 ZINC000556200111 434999211 /nfs/dbraw/zinc/99/92/11/434999211.db2.gz ZFMJLECOPUYMLQ-GFCCVEGCSA-N 2 2 307.401 3.007 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000556200112 435000736 /nfs/dbraw/zinc/00/07/36/435000736.db2.gz ZFMJLECOPUYMLQ-LBPRGKRZSA-N 2 2 307.401 3.007 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)c21 ZINC000556200112 435000740 /nfs/dbraw/zinc/00/07/40/435000740.db2.gz ZFMJLECOPUYMLQ-LBPRGKRZSA-N 2 2 307.401 3.007 20 0 DGADLP CC[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000638335726 435007257 /nfs/dbraw/zinc/00/72/57/435007257.db2.gz MKFDDEVZKALUCC-GPJFCIFZSA-N 2 2 324.472 3.013 20 0 DGADLP CC[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCc2ccccc2C1 ZINC000638335726 435007260 /nfs/dbraw/zinc/00/72/60/435007260.db2.gz MKFDDEVZKALUCC-GPJFCIFZSA-N 2 2 324.472 3.013 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)[C@@H]1c1cccs1 ZINC000638670822 435068283 /nfs/dbraw/zinc/06/82/83/435068283.db2.gz LJAIZBDVUZYGAR-SWLSCSKDSA-N 2 2 307.488 3.377 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)[C@@H]1c1cccs1 ZINC000638670822 435068286 /nfs/dbraw/zinc/06/82/86/435068286.db2.gz LJAIZBDVUZYGAR-SWLSCSKDSA-N 2 2 307.488 3.377 20 0 DGADLP c1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)onc1C1CC1 ZINC000638720158 435076793 /nfs/dbraw/zinc/07/67/93/435076793.db2.gz HXCRZEKAKHCWRY-UHFFFAOYSA-N 2 2 303.450 3.439 20 0 DGADLP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638448480 435034240 /nfs/dbraw/zinc/03/42/40/435034240.db2.gz CZZLCGXNHPKJTN-RBUKOAKNSA-N 2 2 302.462 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638448480 435034245 /nfs/dbraw/zinc/03/42/45/435034245.db2.gz CZZLCGXNHPKJTN-RBUKOAKNSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564046 435053138 /nfs/dbraw/zinc/05/31/38/435053138.db2.gz GJZFVZHSIYOVKH-RHSMWYFYSA-N 2 2 313.420 3.333 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564046 435053140 /nfs/dbraw/zinc/05/31/40/435053140.db2.gz GJZFVZHSIYOVKH-RHSMWYFYSA-N 2 2 313.420 3.333 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638788817 435090348 /nfs/dbraw/zinc/09/03/48/435090348.db2.gz XYIDJHLWDWBRET-MRXNPFEDSA-N 2 2 317.477 3.013 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000638581940 435054392 /nfs/dbraw/zinc/05/43/92/435054392.db2.gz HVSFBGYONNHNLR-RTBURBONSA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000638581940 435054395 /nfs/dbraw/zinc/05/43/95/435054395.db2.gz HVSFBGYONNHNLR-RTBURBONSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)CC34CCCCC4)cn2c1 ZINC000531403631 435092292 /nfs/dbraw/zinc/09/22/92/435092292.db2.gz XZRMNPUSULWRAS-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)CC34CCCCC4)cn2c1 ZINC000531403631 435092296 /nfs/dbraw/zinc/09/22/96/435092296.db2.gz XZRMNPUSULWRAS-UHFFFAOYSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1c(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cnn1C ZINC000638824003 435096586 /nfs/dbraw/zinc/09/65/86/435096586.db2.gz BZVMDJCTBINSHH-UYAOXDASSA-N 2 2 324.472 3.186 20 0 DGADLP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cnn1C ZINC000638824003 435096590 /nfs/dbraw/zinc/09/65/90/435096590.db2.gz BZVMDJCTBINSHH-UYAOXDASSA-N 2 2 324.472 3.186 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493077106 435103920 /nfs/dbraw/zinc/10/39/20/435103920.db2.gz AIXBIRLEWDYSIL-KVPUOBJLSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493077106 435103924 /nfs/dbraw/zinc/10/39/24/435103924.db2.gz AIXBIRLEWDYSIL-KVPUOBJLSA-N 2 2 324.428 3.436 20 0 DGADLP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969757 435123687 /nfs/dbraw/zinc/12/36/87/435123687.db2.gz ICOXGVNBVSJCFN-ZVZYQTTQSA-N 2 2 316.493 3.114 20 0 DGADLP C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969757 435123689 /nfs/dbraw/zinc/12/36/89/435123689.db2.gz ICOXGVNBVSJCFN-ZVZYQTTQSA-N 2 2 316.493 3.114 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000469293674 435130239 /nfs/dbraw/zinc/13/02/39/435130239.db2.gz IKTSVCKUCMPZFI-RBUKOAKNSA-N 3 2 321.553 3.495 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000469293674 435130242 /nfs/dbraw/zinc/13/02/42/435130242.db2.gz IKTSVCKUCMPZFI-RBUKOAKNSA-N 3 2 321.553 3.495 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000579194546 435136315 /nfs/dbraw/zinc/13/63/15/435136315.db2.gz UWGULVXVVNBDMA-FXUDXRNXSA-N 2 2 308.491 3.431 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000559736345 435136712 /nfs/dbraw/zinc/13/67/12/435136712.db2.gz LNVJIXLRCGPJFP-SQNIBIBYSA-N 2 2 324.509 3.353 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000474036673 435144998 /nfs/dbraw/zinc/14/49/98/435144998.db2.gz UHWZSDUNPVTXSJ-GOSISDBHSA-N 2 2 302.462 3.493 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000493765876 435190831 /nfs/dbraw/zinc/19/08/31/435190831.db2.gz NLJVQZMGNHRHOB-OSFYFWSMSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000493765876 435190834 /nfs/dbraw/zinc/19/08/34/435190834.db2.gz NLJVQZMGNHRHOB-OSFYFWSMSA-N 2 2 304.400 3.427 20 0 DGADLP c1cc2cccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c2o1 ZINC000579979026 435197017 /nfs/dbraw/zinc/19/70/17/435197017.db2.gz NNVDHIRHZTWJHI-GOSISDBHSA-N 2 2 314.429 3.120 20 0 DGADLP c1cc2cccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c2o1 ZINC000579979026 435197021 /nfs/dbraw/zinc/19/70/21/435197021.db2.gz NNVDHIRHZTWJHI-GOSISDBHSA-N 2 2 314.429 3.120 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000494877733 435198685 /nfs/dbraw/zinc/19/86/85/435198685.db2.gz IUKFXMFLHWZQIT-QGZVFWFLSA-N 2 2 319.497 3.138 20 0 DGADLP CC[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159217 435152068 /nfs/dbraw/zinc/15/20/68/435152068.db2.gz KSAATLRCEPGJNM-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000560159217 435152073 /nfs/dbraw/zinc/15/20/73/435152073.db2.gz KSAATLRCEPGJNM-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159217 435152077 /nfs/dbraw/zinc/15/20/77/435152077.db2.gz KSAATLRCEPGJNM-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000560159217 435152081 /nfs/dbraw/zinc/15/20/81/435152081.db2.gz KSAATLRCEPGJNM-ICSRJNTNSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)sn1 ZINC000639110114 435158548 /nfs/dbraw/zinc/15/85/48/435158548.db2.gz LVBUQVLLFALXEC-UHFFFAOYSA-N 2 2 303.431 3.198 20 0 DGADLP c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)cc1 ZINC000639114764 435160637 /nfs/dbraw/zinc/16/06/37/435160637.db2.gz OFFRQLCZCRQALJ-FXAWDEMLSA-N 2 2 323.440 3.061 20 0 DGADLP c1ccc(N2CC[C@@H](C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)cc1 ZINC000639114764 435160640 /nfs/dbraw/zinc/16/06/40/435160640.db2.gz OFFRQLCZCRQALJ-FXAWDEMLSA-N 2 2 323.440 3.061 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000474883493 435164836 /nfs/dbraw/zinc/16/48/36/435164836.db2.gz PFQHRZVOYDQCJX-IEBWSBKVSA-N 2 2 304.478 3.127 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532441007 435165164 /nfs/dbraw/zinc/16/51/64/435165164.db2.gz OKIXHPUYPGVDGN-KSSFIOAISA-N 2 2 322.880 3.274 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532441008 435165941 /nfs/dbraw/zinc/16/59/41/435165941.db2.gz OKIXHPUYPGVDGN-RDTXWAMCSA-N 2 2 322.880 3.274 20 0 DGADLP CC(C)[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000532518862 435174135 /nfs/dbraw/zinc/17/41/35/435174135.db2.gz AAJHOKPKKMZHKX-GOSISDBHSA-N 2 2 308.510 3.293 20 0 DGADLP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)cc1O ZINC000639161578 435180022 /nfs/dbraw/zinc/18/00/22/435180022.db2.gz DTFWFZSXDGGZIP-PBWFPOADSA-N 2 2 324.852 3.111 20 0 DGADLP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)cc1O ZINC000639161578 435180025 /nfs/dbraw/zinc/18/00/25/435180025.db2.gz DTFWFZSXDGGZIP-PBWFPOADSA-N 2 2 324.852 3.111 20 0 DGADLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)cc1O ZINC000639161578 435180027 /nfs/dbraw/zinc/18/00/27/435180027.db2.gz DTFWFZSXDGGZIP-PBWFPOADSA-N 2 2 324.852 3.111 20 0 DGADLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1O ZINC000639161578 435180029 /nfs/dbraw/zinc/18/00/29/435180029.db2.gz DTFWFZSXDGGZIP-PBWFPOADSA-N 2 2 324.852 3.111 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc2nccnc2c1 ZINC000639166767 435180574 /nfs/dbraw/zinc/18/05/74/435180574.db2.gz SJTUKSLHNKJSTH-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc2nccnc2c1 ZINC000639166767 435180577 /nfs/dbraw/zinc/18/05/77/435180577.db2.gz SJTUKSLHNKJSTH-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccc2nccnc2c1)Cc1ccco1 ZINC000639166767 435180582 /nfs/dbraw/zinc/18/05/82/435180582.db2.gz SJTUKSLHNKJSTH-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccc2nccnc2c1)Cc1ccco1 ZINC000639166767 435180587 /nfs/dbraw/zinc/18/05/87/435180587.db2.gz SJTUKSLHNKJSTH-UHFFFAOYSA-N 2 2 324.428 3.177 20 0 DGADLP Cn1cc[nH+]c1[C@@H](Nc1ccc(C[NH+](C)C)cc1F)C1CC1 ZINC000639262702 435219150 /nfs/dbraw/zinc/21/91/50/435219150.db2.gz KREQIWMVYWPWNG-INIZCTEOSA-N 2 2 302.397 3.184 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000580295249 435220193 /nfs/dbraw/zinc/22/01/93/435220193.db2.gz KFILWCUSFWNDFI-UHFFFAOYSA-N 2 2 322.346 3.402 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000580302236 435220381 /nfs/dbraw/zinc/22/03/81/435220381.db2.gz CDUWDCURUKNQEZ-BEFAXECRSA-N 2 2 323.440 3.027 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000639288166 435229268 /nfs/dbraw/zinc/22/92/68/435229268.db2.gz DNUVWSFTKPOUFO-UHFFFAOYSA-N 2 2 300.450 3.006 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000639288166 435229272 /nfs/dbraw/zinc/22/92/72/435229272.db2.gz DNUVWSFTKPOUFO-UHFFFAOYSA-N 2 2 300.450 3.006 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295828 435233048 /nfs/dbraw/zinc/23/30/48/435233048.db2.gz NUHXDNKISWMZAL-OXJNMPFZSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000639295828 435233051 /nfs/dbraw/zinc/23/30/51/435233051.db2.gz NUHXDNKISWMZAL-OXJNMPFZSA-N 2 2 324.472 3.409 20 0 DGADLP C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000533433161 435235401 /nfs/dbraw/zinc/23/54/01/435235401.db2.gz LNAHNCREMVVDRE-QGZVFWFLSA-N 2 2 321.424 3.255 20 0 DGADLP C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000533433161 435235405 /nfs/dbraw/zinc/23/54/05/435235405.db2.gz LNAHNCREMVVDRE-QGZVFWFLSA-N 2 2 321.424 3.255 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000561976104 435242999 /nfs/dbraw/zinc/24/29/99/435242999.db2.gz MDCWSJYCTIRKSN-CYBMUJFWSA-N 2 2 321.371 3.319 20 0 DGADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000561976104 435243006 /nfs/dbraw/zinc/24/30/06/435243006.db2.gz MDCWSJYCTIRKSN-CYBMUJFWSA-N 2 2 321.371 3.319 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256757 /nfs/dbraw/zinc/25/67/57/435256757.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256763 /nfs/dbraw/zinc/25/67/63/435256763.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256770 /nfs/dbraw/zinc/25/67/70/435256770.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922196 435256773 /nfs/dbraw/zinc/25/67/73/435256773.db2.gz BLWIAMNROZCQOB-HOJAQTOUSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257514 /nfs/dbraw/zinc/25/75/14/435257514.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257517 /nfs/dbraw/zinc/25/75/17/435257517.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257520 /nfs/dbraw/zinc/25/75/20/435257520.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000583922199 435257524 /nfs/dbraw/zinc/25/75/24/435257524.db2.gz BLWIAMNROZCQOB-YZGWKJHDSA-N 3 2 315.505 3.143 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067245 435265383 /nfs/dbraw/zinc/26/53/83/435265383.db2.gz YLASZWRELOFWNM-MJGOQNOKSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067245 435265390 /nfs/dbraw/zinc/26/53/90/435265390.db2.gz YLASZWRELOFWNM-MJGOQNOKSA-N 2 2 310.441 3.293 20 0 DGADLP Cc1nc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)s1 ZINC000534127300 435269311 /nfs/dbraw/zinc/26/93/11/435269311.db2.gz AOAZVODHFUWCNG-UHFFFAOYSA-N 2 2 302.447 3.231 20 0 DGADLP c1csc(CC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000639375699 435271495 /nfs/dbraw/zinc/27/14/95/435271495.db2.gz AAJHSNQIHDJOKV-UHFFFAOYSA-N 2 2 312.442 3.246 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000639375198 435271937 /nfs/dbraw/zinc/27/19/37/435271937.db2.gz RUISWPLXHDCCOC-UHFFFAOYSA-N 2 2 324.472 3.323 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000639375732 435272768 /nfs/dbraw/zinc/27/27/68/435272768.db2.gz BOHMWFUNBBEQCA-UHFFFAOYSA-N 2 2 305.441 3.248 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000639379589 435273563 /nfs/dbraw/zinc/27/35/63/435273563.db2.gz RDSWCHMRPWCNJC-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CC[NH+](CC)[C@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000534299904 435278827 /nfs/dbraw/zinc/27/88/27/435278827.db2.gz IVEDRGXOXNUIMA-SFHVURJKSA-N 2 2 311.429 3.142 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000648404884 435288968 /nfs/dbraw/zinc/28/89/68/435288968.db2.gz YKHRFFYQYVLJDU-CVEARBPZSA-N 2 2 301.434 3.282 20 0 DGADLP CC[C@@H](C[NH2+]Cc1ccncc1C)[N@@H+]1CCc2ccccc2C1 ZINC000648412691 435291301 /nfs/dbraw/zinc/29/13/01/435291301.db2.gz OHLAREPXAKEISU-FQEVSTJZSA-N 2 2 309.457 3.317 20 0 DGADLP CC[C@@H](C[NH2+]Cc1ccncc1C)[N@H+]1CCc2ccccc2C1 ZINC000648412691 435291308 /nfs/dbraw/zinc/29/13/08/435291308.db2.gz OHLAREPXAKEISU-FQEVSTJZSA-N 2 2 309.457 3.317 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648441985 435300996 /nfs/dbraw/zinc/30/09/96/435300996.db2.gz ZWBRQOMRGSHEGB-LSDHHAIUSA-N 2 2 301.434 3.146 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000639454740 435302087 /nfs/dbraw/zinc/30/20/87/435302087.db2.gz GYXRNOJRDLCMFS-UHFFFAOYSA-N 2 2 320.452 3.452 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000639454740 435302092 /nfs/dbraw/zinc/30/20/92/435302092.db2.gz GYXRNOJRDLCMFS-UHFFFAOYSA-N 2 2 320.452 3.452 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCCN(c3nccs3)CC2)c(C)[nH+]1 ZINC000639460187 435304205 /nfs/dbraw/zinc/30/42/05/435304205.db2.gz GKDMVPLNDRNULA-UHFFFAOYSA-N 2 2 316.474 3.176 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCCN(c3nccs3)CC2)c(C)[nH+]1 ZINC000639460187 435304212 /nfs/dbraw/zinc/30/42/12/435304212.db2.gz GKDMVPLNDRNULA-UHFFFAOYSA-N 2 2 316.474 3.176 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)[nH]n1 ZINC000648458170 435305857 /nfs/dbraw/zinc/30/58/57/435305857.db2.gz DZWQRRYXOAMOHV-UHFFFAOYSA-N 2 2 306.498 3.487 20 0 DGADLP CCCOc1cccc2c(N3CC[C@H]4CC[NH2+][C@@H]4C3)cc[nH+]c12 ZINC000643031676 435262482 /nfs/dbraw/zinc/26/24/82/435262482.db2.gz VFXYAXXOIIRRRK-GDBMZVCRSA-N 2 2 311.429 3.212 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000639359308 435262720 /nfs/dbraw/zinc/26/27/20/435262720.db2.gz KTMMEMGCXYPACC-KSSFIOAISA-N 2 2 313.445 3.149 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000639359308 435262726 /nfs/dbraw/zinc/26/27/26/435262726.db2.gz KTMMEMGCXYPACC-KSSFIOAISA-N 2 2 313.445 3.149 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065370 435263935 /nfs/dbraw/zinc/26/39/35/435263935.db2.gz AOJJOXCHHBETCS-UXIGCNINSA-N 2 2 314.351 3.330 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065370 435263942 /nfs/dbraw/zinc/26/39/42/435263942.db2.gz AOJJOXCHHBETCS-UXIGCNINSA-N 2 2 314.351 3.330 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccnc4ccccc34)CC2)c1 ZINC000535081358 435317628 /nfs/dbraw/zinc/31/76/28/435317628.db2.gz TUZFDDGGYSANFO-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP COC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643456291 435327515 /nfs/dbraw/zinc/32/75/15/435327515.db2.gz BGFGKRGMQRXUFC-BYCMXARLSA-N 2 2 316.367 3.123 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457527 435329840 /nfs/dbraw/zinc/32/98/40/435329840.db2.gz IOWQDXREONGORS-ZCNNSNEGSA-N 3 2 315.505 3.148 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457527 435329847 /nfs/dbraw/zinc/32/98/47/435329847.db2.gz IOWQDXREONGORS-ZCNNSNEGSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457590 435330546 /nfs/dbraw/zinc/33/05/46/435330546.db2.gz PANDZEBCMBRJMO-WMZOPIPTSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000643457590 435330549 /nfs/dbraw/zinc/33/05/49/435330549.db2.gz PANDZEBCMBRJMO-WMZOPIPTSA-N 3 2 324.472 3.057 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643464312 435330822 /nfs/dbraw/zinc/33/08/22/435330822.db2.gz AVHMRMPCVDXMJU-WDSOQIARSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643464312 435330825 /nfs/dbraw/zinc/33/08/25/435330825.db2.gz AVHMRMPCVDXMJU-WDSOQIARSA-N 3 2 307.526 3.009 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CCO2 ZINC000643482519 435334205 /nfs/dbraw/zinc/33/42/05/435334205.db2.gz VVTASEXZSBFPFJ-XYPHTWIQSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000643501082 435335887 /nfs/dbraw/zinc/33/58/87/435335887.db2.gz SOZQDBZNGUYOLU-AAEUAGOBSA-N 2 2 302.340 3.378 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)CCC(C)(C)C ZINC000479533806 435337807 /nfs/dbraw/zinc/33/78/07/435337807.db2.gz UEFDHLSCNYXGJV-BHIYHBOVSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)CCC(C)(C)C ZINC000479533806 435337811 /nfs/dbraw/zinc/33/78/11/435337811.db2.gz UEFDHLSCNYXGJV-BHIYHBOVSA-N 2 2 318.505 3.284 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000643501602 435338984 /nfs/dbraw/zinc/33/89/84/435338984.db2.gz LUURRZJNGHAQPO-CJNGLKHVSA-N 2 2 316.424 3.113 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCS2 ZINC000643502409 435339154 /nfs/dbraw/zinc/33/91/54/435339154.db2.gz FPVLGYSZJOVMFU-BBRMVZONSA-N 2 2 306.475 3.354 20 0 DGADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507490 435340120 /nfs/dbraw/zinc/34/01/20/435340120.db2.gz GEKGAYZQZZZTLG-HNNXBMFYSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1OC(F)F ZINC000643537883 435347777 /nfs/dbraw/zinc/34/77/77/435347777.db2.gz TVLLFLKMGCUVAQ-MIMYLULJSA-N 2 2 322.758 3.292 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000643543299 435350328 /nfs/dbraw/zinc/35/03/28/435350328.db2.gz QYVBBLFDQOPXCZ-AYOQOUSVSA-N 2 2 310.441 3.410 20 0 DGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1Cl ZINC000643538770 435350415 /nfs/dbraw/zinc/35/04/15/435350415.db2.gz UUDDLBGIYNCCDW-XBFCOCLRSA-N 2 2 314.832 3.478 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC000512576345 435363563 /nfs/dbraw/zinc/36/35/63/435363563.db2.gz BRGUYNIDYUWNEU-MLGOLLRUSA-N 2 2 312.404 3.052 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C1 ZINC000512576345 435363569 /nfs/dbraw/zinc/36/35/69/435363569.db2.gz BRGUYNIDYUWNEU-MLGOLLRUSA-N 2 2 312.404 3.052 20 0 DGADLP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCc2ccc[nH+]c2CC1 ZINC000643348484 435314291 /nfs/dbraw/zinc/31/42/91/435314291.db2.gz VMRNMNROKGWCOH-OAHLLOKOSA-N 2 2 305.385 3.022 20 0 DGADLP Cc1[nH]c(CNC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC000568269350 435416848 /nfs/dbraw/zinc/41/68/48/435416848.db2.gz IPKITIWEHUOIHG-SFHVURJKSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1[nH]c(CNC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC000568269350 435416851 /nfs/dbraw/zinc/41/68/51/435416851.db2.gz IPKITIWEHUOIHG-SFHVURJKSA-N 2 2 312.461 3.027 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000568275484 435417872 /nfs/dbraw/zinc/41/78/72/435417872.db2.gz YAWDOUHQJHWJPO-GFCCVEGCSA-N 2 2 305.422 3.120 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000568275484 435417877 /nfs/dbraw/zinc/41/78/77/435417877.db2.gz YAWDOUHQJHWJPO-GFCCVEGCSA-N 2 2 305.422 3.120 20 0 DGADLP CC(C)n1cncc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000643766489 435368359 /nfs/dbraw/zinc/36/83/59/435368359.db2.gz GIEVLOFELHQAIO-GOSISDBHSA-N 2 2 323.444 3.271 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(C)[nH+]1 ZINC000639624023 435370324 /nfs/dbraw/zinc/37/03/24/435370324.db2.gz CGCWGBLEHYXALN-HXUWFJFHSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C)[nH+]1 ZINC000639650236 435379090 /nfs/dbraw/zinc/37/90/90/435379090.db2.gz TXBGITXOEIINNH-HNNXBMFYSA-N 2 2 304.825 3.304 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(C)[nH+]1 ZINC000639650236 435379092 /nfs/dbraw/zinc/37/90/92/435379092.db2.gz TXBGITXOEIINNH-HNNXBMFYSA-N 2 2 304.825 3.304 20 0 DGADLP CCOC1CC(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000643889367 435379259 /nfs/dbraw/zinc/37/92/59/435379259.db2.gz YKOWGQLDCQXPMJ-LYGPFTKASA-N 2 2 317.477 3.012 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513205143 435381422 /nfs/dbraw/zinc/38/14/22/435381422.db2.gz ZHCXJHGHBSFRJF-IOMROCGXSA-N 2 2 324.468 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513205143 435381426 /nfs/dbraw/zinc/38/14/26/435381426.db2.gz ZHCXJHGHBSFRJF-IOMROCGXSA-N 2 2 324.468 3.363 20 0 DGADLP CCCn1c2ccccc2[nH+]c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000568101280 435393485 /nfs/dbraw/zinc/39/34/85/435393485.db2.gz NCOGLNIXIKJBAD-UHFFFAOYSA-N 2 2 319.412 3.436 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639909679 435455150 /nfs/dbraw/zinc/45/51/50/435455150.db2.gz LDRAYBHRMARDLH-UHFFFAOYSA-N 2 2 309.335 3.040 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639909679 435455153 /nfs/dbraw/zinc/45/51/53/435455153.db2.gz LDRAYBHRMARDLH-UHFFFAOYSA-N 2 2 309.335 3.040 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1coc2ccccc12 ZINC000644566663 435460075 /nfs/dbraw/zinc/46/00/75/435460075.db2.gz HEWNQXNFKILMDV-GOSISDBHSA-N 2 2 324.424 3.015 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1coc2ccccc12 ZINC000644566663 435460078 /nfs/dbraw/zinc/46/00/78/435460078.db2.gz HEWNQXNFKILMDV-GOSISDBHSA-N 2 2 324.424 3.015 20 0 DGADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)[NH+](C)C)cc1F ZINC000482521371 435470681 /nfs/dbraw/zinc/47/06/81/435470681.db2.gz XZTVQJKVFKTIEE-UKPHBRMFSA-N 2 2 308.441 3.400 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000568861929 435477685 /nfs/dbraw/zinc/47/76/85/435477685.db2.gz AVNLJIFVYIJFNW-OAHLLOKOSA-N 2 2 322.412 3.110 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ncccc1O ZINC000568861929 435477687 /nfs/dbraw/zinc/47/76/87/435477687.db2.gz AVNLJIFVYIJFNW-OAHLLOKOSA-N 2 2 322.412 3.110 20 0 DGADLP COCC(C)(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644430935 435441806 /nfs/dbraw/zinc/44/18/06/435441806.db2.gz STPLEQQTEUWOCW-KRWDZBQOSA-N 2 2 304.478 3.302 20 0 DGADLP COCC(C)(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644430935 435441812 /nfs/dbraw/zinc/44/18/12/435441812.db2.gz STPLEQQTEUWOCW-KRWDZBQOSA-N 2 2 304.478 3.302 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)sc2c1 ZINC000569243799 435515057 /nfs/dbraw/zinc/51/50/57/435515057.db2.gz NPYHSKFHKBDQRO-MRXNPFEDSA-N 2 2 305.422 3.011 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)sc2c1 ZINC000569243799 435515062 /nfs/dbraw/zinc/51/50/62/435515062.db2.gz NPYHSKFHKBDQRO-MRXNPFEDSA-N 2 2 305.422 3.011 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1)[NH+](C)C ZINC000644842541 435526705 /nfs/dbraw/zinc/52/67/05/435526705.db2.gz IWNPSNRPELVPHC-ZDUSSCGKSA-N 2 2 322.412 3.042 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000539057626 435534972 /nfs/dbraw/zinc/53/49/72/435534972.db2.gz CVCALZSBXFIOHB-ZTFGCOKTSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000539057626 435534977 /nfs/dbraw/zinc/53/49/77/435534977.db2.gz CVCALZSBXFIOHB-ZTFGCOKTSA-N 2 2 316.493 3.420 20 0 DGADLP FCCC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000639990733 435484914 /nfs/dbraw/zinc/48/49/14/435484914.db2.gz UGZPGEZUSISEPV-UHFFFAOYSA-N 2 2 320.452 3.090 20 0 DGADLP CC(C)C[C@H](C[NH2+]CC1(O)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000644678101 435487056 /nfs/dbraw/zinc/48/70/56/435487056.db2.gz ZYVGKKJOTDHLHL-FUHWJXTLSA-N 2 2 304.478 3.257 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C2CCCC2)o1 ZINC000539393944 435551003 /nfs/dbraw/zinc/55/10/03/435551003.db2.gz KEGOYAOUCBRFEE-KXBFYZLASA-N 2 2 320.477 3.377 20 0 DGADLP CC[N@@H+]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C1 ZINC000539738499 435566676 /nfs/dbraw/zinc/56/66/76/435566676.db2.gz YCWBNDIHYARXII-RDJZCZTQSA-N 2 2 302.466 3.214 20 0 DGADLP CC[N@H+]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C1 ZINC000539738499 435566679 /nfs/dbraw/zinc/56/66/79/435566679.db2.gz YCWBNDIHYARXII-RDJZCZTQSA-N 2 2 302.466 3.214 20 0 DGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000539850699 435577092 /nfs/dbraw/zinc/57/70/92/435577092.db2.gz NFFVDSHPVCIOJW-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000539850699 435577096 /nfs/dbraw/zinc/57/70/96/435577096.db2.gz NFFVDSHPVCIOJW-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000539850699 435577098 /nfs/dbraw/zinc/57/70/98/435577098.db2.gz NFFVDSHPVCIOJW-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000539850699 435577102 /nfs/dbraw/zinc/57/71/02/435577102.db2.gz NFFVDSHPVCIOJW-CQSZACIVSA-N 2 2 305.491 3.184 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000517145666 435577457 /nfs/dbraw/zinc/57/74/57/435577457.db2.gz PSJIADXHDHIIES-CMPLNLGQSA-N 2 2 315.244 3.043 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000517145666 435577461 /nfs/dbraw/zinc/57/74/61/435577461.db2.gz PSJIADXHDHIIES-CMPLNLGQSA-N 2 2 315.244 3.043 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@@H]1[NH3+] ZINC000649416844 435582052 /nfs/dbraw/zinc/58/20/52/435582052.db2.gz NPPIQMZMEYQEDD-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@@H]1[NH3+] ZINC000649416844 435582058 /nfs/dbraw/zinc/58/20/58/435582058.db2.gz NPPIQMZMEYQEDD-DOMZBBRYSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@H]1[NH3+] ZINC000649416527 435583891 /nfs/dbraw/zinc/58/38/91/435583891.db2.gz CVVXRQGMDLOUAN-GXTWGEPZSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccsc3)oc2C)CC[C@H]1[NH3+] ZINC000649416527 435583895 /nfs/dbraw/zinc/58/38/95/435583895.db2.gz CVVXRQGMDLOUAN-GXTWGEPZSA-N 2 2 305.447 3.271 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241222 435584103 /nfs/dbraw/zinc/58/41/03/435584103.db2.gz QYLGDIGSIXJJKB-SUMWQHHRSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241222 435584108 /nfs/dbraw/zinc/58/41/08/435584108.db2.gz QYLGDIGSIXJJKB-SUMWQHHRSA-N 2 2 303.381 3.114 20 0 DGADLP CC(C)n1c[nH+]cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000644901886 435537481 /nfs/dbraw/zinc/53/74/81/435537481.db2.gz CWNCXFOTTWIHBI-UHFFFAOYSA-N 2 2 311.429 3.486 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000569544932 435541590 /nfs/dbraw/zinc/54/15/90/435541590.db2.gz CYLHWBXIGAZOCF-JCAIJIATSA-N 2 2 320.481 3.257 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000569544932 435541596 /nfs/dbraw/zinc/54/15/96/435541596.db2.gz CYLHWBXIGAZOCF-JCAIJIATSA-N 2 2 320.481 3.257 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000486812102 435615393 /nfs/dbraw/zinc/61/53/93/435615393.db2.gz OEQHUAOJGRACKG-DOTOQJQBSA-N 2 2 302.462 3.287 20 0 DGADLP Cc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000486812102 435615396 /nfs/dbraw/zinc/61/53/96/435615396.db2.gz OEQHUAOJGRACKG-DOTOQJQBSA-N 2 2 302.462 3.287 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000570410435 435618706 /nfs/dbraw/zinc/61/87/06/435618706.db2.gz ODXCSDUITSPGER-GOSISDBHSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000570410435 435618711 /nfs/dbraw/zinc/61/87/11/435618711.db2.gz ODXCSDUITSPGER-GOSISDBHSA-N 2 2 322.880 3.335 20 0 DGADLP C(=C/c1ccncc1)\C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000486933350 435622718 /nfs/dbraw/zinc/62/27/18/435622718.db2.gz IOPGEAXPACFEEI-ONEGZZNKSA-N 2 2 317.502 3.046 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000649565622 435627985 /nfs/dbraw/zinc/62/79/85/435627985.db2.gz NYOZFPKRCFOQHC-QAPCUYQASA-N 2 2 314.433 3.148 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000649565622 435627989 /nfs/dbraw/zinc/62/79/89/435627989.db2.gz NYOZFPKRCFOQHC-QAPCUYQASA-N 2 2 314.433 3.148 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000570832068 435653654 /nfs/dbraw/zinc/65/36/54/435653654.db2.gz OUSWMAFQINJCRC-ZWKOTPCHSA-N 2 2 323.440 3.312 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000570965631 435666853 /nfs/dbraw/zinc/66/68/53/435666853.db2.gz LADZHGPRRKHMPD-ZWKOTPCHSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000570965631 435666857 /nfs/dbraw/zinc/66/68/57/435666857.db2.gz LADZHGPRRKHMPD-ZWKOTPCHSA-N 2 2 316.493 3.033 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000645408830 435639142 /nfs/dbraw/zinc/63/91/42/435639142.db2.gz HIGXLWLNYTVHRU-OAHLLOKOSA-N 2 2 314.539 3.141 20 0 DGADLP O=C(Nc1ccccc1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000519138216 435671925 /nfs/dbraw/zinc/67/19/25/435671925.db2.gz FGVZQCQNEYXZLP-OALUTQOASA-N 2 2 323.440 3.098 20 0 DGADLP Cc1c[nH+]ccc1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000645782529 435687473 /nfs/dbraw/zinc/68/74/73/435687473.db2.gz XDSXDTWETWXKDT-UHFFFAOYSA-N 2 2 301.478 3.130 20 0 DGADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649746481 435688781 /nfs/dbraw/zinc/68/87/81/435688781.db2.gz AKPLOQQAXLIJPY-CYBMUJFWSA-N 2 2 303.837 3.278 20 0 DGADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649746481 435688786 /nfs/dbraw/zinc/68/87/86/435688786.db2.gz AKPLOQQAXLIJPY-CYBMUJFWSA-N 2 2 303.837 3.278 20 0 DGADLP C[C@H](c1cccc2ccccc21)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000571313324 435697353 /nfs/dbraw/zinc/69/73/53/435697353.db2.gz ODPCHLOLMVMBSQ-VOBQZIQPSA-N 2 2 320.440 3.061 20 0 DGADLP C[C@H](c1cccc2ccccc21)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000571313324 435697356 /nfs/dbraw/zinc/69/73/56/435697356.db2.gz ODPCHLOLMVMBSQ-VOBQZIQPSA-N 2 2 320.440 3.061 20 0 DGADLP COc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(F)c1 ZINC000519610014 435693936 /nfs/dbraw/zinc/69/39/36/435693936.db2.gz RKGBABGYBMGMQC-UHFFFAOYSA-N 2 2 313.376 3.433 20 0 DGADLP Fc1cccc(F)c1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000645842380 435701825 /nfs/dbraw/zinc/70/18/25/435701825.db2.gz LMCPTQSYFBQVSO-UHFFFAOYSA-N 2 2 317.383 3.479 20 0 DGADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655711344 435743866 /nfs/dbraw/zinc/74/38/66/435743866.db2.gz ICZGPFQKSHYEFI-SLFFLAALSA-N 2 2 314.473 3.166 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)CN[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655716069 435744086 /nfs/dbraw/zinc/74/40/86/435744086.db2.gz PQQVAGYZYJNXEL-WBVHZDCISA-N 2 2 312.461 3.437 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000655719859 435745746 /nfs/dbraw/zinc/74/57/46/435745746.db2.gz YYAAYSLHCNOEDZ-QAPCUYQASA-N 2 2 321.428 3.153 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424761 435750503 /nfs/dbraw/zinc/75/05/03/435750503.db2.gz WRFFYWKGFVJNQF-HOTGVXAUSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491424761 435750511 /nfs/dbraw/zinc/75/05/11/435750511.db2.gz WRFFYWKGFVJNQF-HOTGVXAUSA-N 2 2 311.473 3.408 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000655727477 435754295 /nfs/dbraw/zinc/75/42/95/435754295.db2.gz OAKLNXAIQHKSTD-OGWOLHLISA-N 2 2 300.446 3.078 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1F ZINC000655729483 435755651 /nfs/dbraw/zinc/75/56/51/435755651.db2.gz AYAYDGYZCXLODA-PBHICJAKSA-N 2 2 306.425 3.038 20 0 DGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655734444 435759001 /nfs/dbraw/zinc/75/90/01/435759001.db2.gz IMIBIRUNIQLICX-LPHOPBHVSA-N 2 2 314.473 3.252 20 0 DGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCC[NH+](C)C ZINC000519729672 435704233 /nfs/dbraw/zinc/70/42/33/435704233.db2.gz ZWGMJKKJKAEJOM-UHFFFAOYSA-N 2 2 318.440 3.012 20 0 DGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CCC[NH+](C)C ZINC000519729672 435704237 /nfs/dbraw/zinc/70/42/37/435704237.db2.gz ZWGMJKKJKAEJOM-UHFFFAOYSA-N 2 2 318.440 3.012 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649798858 435708136 /nfs/dbraw/zinc/70/81/36/435708136.db2.gz JMKVSDZUDINYLA-INIZCTEOSA-N 2 2 313.445 3.021 20 0 DGADLP c1nc2cc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)ccc2[nH]1 ZINC000548673934 435708235 /nfs/dbraw/zinc/70/82/35/435708235.db2.gz OCPWMRDUIDGJSM-OAHLLOKOSA-N 2 2 321.428 3.085 20 0 DGADLP c1nc2cc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)ccc2[nH]1 ZINC000548673934 435708242 /nfs/dbraw/zinc/70/82/42/435708242.db2.gz OCPWMRDUIDGJSM-OAHLLOKOSA-N 2 2 321.428 3.085 20 0 DGADLP c1nc2ccc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)cc2[nH]1 ZINC000548673934 435708247 /nfs/dbraw/zinc/70/82/47/435708247.db2.gz OCPWMRDUIDGJSM-OAHLLOKOSA-N 2 2 321.428 3.085 20 0 DGADLP c1nc2ccc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)cc2[nH]1 ZINC000548673934 435708253 /nfs/dbraw/zinc/70/82/53/435708253.db2.gz OCPWMRDUIDGJSM-OAHLLOKOSA-N 2 2 321.428 3.085 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000645897313 435713577 /nfs/dbraw/zinc/71/35/77/435713577.db2.gz DLINXRJYMANDPU-UHFFFAOYSA-N 2 2 317.383 3.033 20 0 DGADLP c1ccc(N2CCC([NH2+]Cc3cccc4c3CCC4)CC2)[nH+]c1 ZINC000651677513 435788136 /nfs/dbraw/zinc/78/81/36/435788136.db2.gz KQKNFTCCDHZZKD-UHFFFAOYSA-N 2 2 307.441 3.329 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000651685483 435790212 /nfs/dbraw/zinc/79/02/12/435790212.db2.gz VDASUZJCJBVLHE-UHFFFAOYSA-N 2 2 323.444 3.256 20 0 DGADLP c1ncc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)s1 ZINC000660531371 435791156 /nfs/dbraw/zinc/79/11/56/435791156.db2.gz RPQFCVQOFDCATC-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000550161288 435794365 /nfs/dbraw/zinc/79/43/65/435794365.db2.gz IBZQGCCWHXZIBH-HNNXBMFYSA-N 2 2 312.417 3.075 20 0 DGADLP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000550161288 435794370 /nfs/dbraw/zinc/79/43/70/435794370.db2.gz IBZQGCCWHXZIBH-HNNXBMFYSA-N 2 2 312.417 3.075 20 0 DGADLP Cn1cc(C[NH2+]C2CC([NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000655792414 435800694 /nfs/dbraw/zinc/80/06/94/435800694.db2.gz RMEVUFPHBFUJSB-UHFFFAOYSA-N 2 2 324.428 3.016 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000550887391 435813976 /nfs/dbraw/zinc/81/39/76/435813976.db2.gz PTCWMNBDHDWUFH-SNRMKQJTSA-N 2 2 304.478 3.399 20 0 DGADLP COc1cc(OC)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1F ZINC000651762157 435821848 /nfs/dbraw/zinc/82/18/48/435821848.db2.gz BFGYMUBLGGWZAW-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000572354995 435814608 /nfs/dbraw/zinc/81/46/08/435814608.db2.gz HKXVWKOTIKUWBU-FOIQADDNSA-N 2 2 323.440 3.099 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCCO3)cc2)c[nH+]1 ZINC000655811601 435817882 /nfs/dbraw/zinc/81/78/82/435817882.db2.gz VGWAYZAJEUKKNF-RTBURBONSA-N 2 2 311.429 3.310 20 0 DGADLP Cn1c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc2ccccc21 ZINC000641776456 435818711 /nfs/dbraw/zinc/81/87/11/435818711.db2.gz ZRFSIHDJAMHXTP-UHFFFAOYSA-N 2 2 321.415 3.245 20 0 DGADLP C[C@]1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655744420 435764865 /nfs/dbraw/zinc/76/48/65/435764865.db2.gz ZANANVWVIQYUCN-QUCCMNQESA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660475401 435767058 /nfs/dbraw/zinc/76/70/58/435767058.db2.gz RLWJHUDPHDBLRM-HXUWFJFHSA-N 2 2 316.489 3.497 20 0 DGADLP CC(C)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660475401 435767069 /nfs/dbraw/zinc/76/70/69/435767069.db2.gz RLWJHUDPHDBLRM-HXUWFJFHSA-N 2 2 316.489 3.497 20 0 DGADLP CSc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660480575 435769158 /nfs/dbraw/zinc/76/91/58/435769158.db2.gz VBGVEUADHYOKDA-QGZVFWFLSA-N 2 2 320.502 3.095 20 0 DGADLP CSc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660480575 435769168 /nfs/dbraw/zinc/76/91/68/435769168.db2.gz VBGVEUADHYOKDA-QGZVFWFLSA-N 2 2 320.502 3.095 20 0 DGADLP FC(F)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660479844 435771260 /nfs/dbraw/zinc/77/12/60/435771260.db2.gz QFNSCDUMCPNMDF-KRWDZBQOSA-N 2 2 324.415 3.311 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060468 435776306 /nfs/dbraw/zinc/77/63/06/435776306.db2.gz WZPAQWHTENGMIJ-APWZRJJASA-N 2 2 320.452 3.116 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000572060468 435776313 /nfs/dbraw/zinc/77/63/13/435776313.db2.gz WZPAQWHTENGMIJ-APWZRJJASA-N 2 2 320.452 3.116 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655763572 435784091 /nfs/dbraw/zinc/78/40/91/435784091.db2.gz QMQSAHOUKZSXHD-GOEBONIOSA-N 2 2 320.502 3.312 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cnc(-c3ccccc3)nc2)[C@H]1C ZINC000641807643 435828679 /nfs/dbraw/zinc/82/86/79/435828679.db2.gz LQQNVJLMVNGQCI-RVKKMQEKSA-N 2 2 310.445 3.091 20 0 DGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cnc(-c3ccccc3)nc2)[C@H]1C ZINC000641807643 435828684 /nfs/dbraw/zinc/82/86/84/435828684.db2.gz LQQNVJLMVNGQCI-RVKKMQEKSA-N 2 2 310.445 3.091 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1nc2ccccc2n1C(F)F ZINC000641801387 435829606 /nfs/dbraw/zinc/82/96/06/435829606.db2.gz BWGNBLLQHXVABD-TVYUQYBPSA-N 2 2 308.376 3.208 20 0 DGADLP Cn1cc([C@@H]([NH2+]CC2([NH3+])CCCCCC2)c2ccccc2)cn1 ZINC000572510446 435832811 /nfs/dbraw/zinc/83/28/11/435832811.db2.gz JQPWUNDQEOLRCI-SFHVURJKSA-N 2 2 312.461 3.151 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385969 435833868 /nfs/dbraw/zinc/83/38/68/435833868.db2.gz VFPPLXPJFJJSFH-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385969 435833873 /nfs/dbraw/zinc/83/38/73/435833873.db2.gz VFPPLXPJFJJSFH-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385969 435833878 /nfs/dbraw/zinc/83/38/78/435833878.db2.gz VFPPLXPJFJJSFH-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385969 435833883 /nfs/dbraw/zinc/83/38/83/435833883.db2.gz VFPPLXPJFJJSFH-HKUYNNGSSA-N 2 2 316.489 3.398 20 0 DGADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000651814580 435835025 /nfs/dbraw/zinc/83/50/25/435835025.db2.gz ZSOWBNXKYAKQJQ-ZWNOBZJWSA-N 2 2 305.784 3.337 20 0 DGADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000651814580 435835029 /nfs/dbraw/zinc/83/50/29/435835029.db2.gz ZSOWBNXKYAKQJQ-ZWNOBZJWSA-N 2 2 305.784 3.337 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848989 435839069 /nfs/dbraw/zinc/83/90/69/435839069.db2.gz NPDHNSJJKRVWOY-HEFCMCLBSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848989 435839075 /nfs/dbraw/zinc/83/90/75/435839075.db2.gz NPDHNSJJKRVWOY-HEFCMCLBSA-N 2 2 309.457 3.242 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1Br)C2 ZINC000660654025 435842161 /nfs/dbraw/zinc/84/21/61/435842161.db2.gz FHNBZBVFQWHVCX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1Br)C2 ZINC000660654025 435842166 /nfs/dbraw/zinc/84/21/66/435842166.db2.gz FHNBZBVFQWHVCX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1Br)C2 ZINC000660654025 435842171 /nfs/dbraw/zinc/84/21/71/435842171.db2.gz FHNBZBVFQWHVCX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1Br)C2 ZINC000660654025 435842179 /nfs/dbraw/zinc/84/21/79/435842179.db2.gz FHNBZBVFQWHVCX-MRXNPFEDSA-N 2 2 323.278 3.367 20 0 DGADLP COc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655855365 435845665 /nfs/dbraw/zinc/84/56/65/435845665.db2.gz FXOZNJTVUCXMKF-IRXDYDNUSA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655855365 435845670 /nfs/dbraw/zinc/84/56/70/435845670.db2.gz FXOZNJTVUCXMKF-IRXDYDNUSA-N 2 2 318.461 3.119 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660660509 435847922 /nfs/dbraw/zinc/84/79/22/435847922.db2.gz YCEPLFYUNOYUEB-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660660509 435847927 /nfs/dbraw/zinc/84/79/27/435847927.db2.gz YCEPLFYUNOYUEB-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000660660509 435847933 /nfs/dbraw/zinc/84/79/33/435847933.db2.gz YCEPLFYUNOYUEB-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000660660509 435847938 /nfs/dbraw/zinc/84/79/38/435847938.db2.gz YCEPLFYUNOYUEB-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP c1c[nH+]c(CNc2ccc(SCC[NH+]3CCCC3)cc2)[nH]1 ZINC000651960356 435878289 /nfs/dbraw/zinc/87/82/89/435878289.db2.gz BUGRWWWSPDPGNO-UHFFFAOYSA-N 2 2 302.447 3.210 20 0 DGADLP C[C@H]1CCCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703790 435849802 /nfs/dbraw/zinc/84/98/02/435849802.db2.gz IOTTVULTKBHZSG-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551703790 435849803 /nfs/dbraw/zinc/84/98/03/435849803.db2.gz IOTTVULTKBHZSG-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703790 435849809 /nfs/dbraw/zinc/84/98/09/435849809.db2.gz IOTTVULTKBHZSG-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@H]1CCCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551703790 435849815 /nfs/dbraw/zinc/84/98/15/435849815.db2.gz IOTTVULTKBHZSG-AZUAARDMSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1cnc([C@H](C)[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cn1 ZINC000660675023 435854913 /nfs/dbraw/zinc/85/49/13/435854913.db2.gz FIEJUIWEFIGFNG-INIZCTEOSA-N 2 2 310.445 3.100 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cccc(C(C)C)c2)CC1 ZINC000660677528 435857167 /nfs/dbraw/zinc/85/71/67/435857167.db2.gz SVIBRGKFVAFLKC-UHFFFAOYSA-N 2 2 304.478 3.135 20 0 DGADLP CC[N@H+](CCC[NH2+][C@H]1CC[NH+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910052 435860289 /nfs/dbraw/zinc/86/02/89/435860289.db2.gz FQVRGIWAVGOKOG-HKUYNNGSSA-N 3 2 309.542 3.351 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@H]1CC[NH+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910052 435860296 /nfs/dbraw/zinc/86/02/96/435860296.db2.gz FQVRGIWAVGOKOG-HKUYNNGSSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910052 435860303 /nfs/dbraw/zinc/86/03/03/435860303.db2.gz FQVRGIWAVGOKOG-HKUYNNGSSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910052 435860310 /nfs/dbraw/zinc/86/03/10/435860310.db2.gz FQVRGIWAVGOKOG-HKUYNNGSSA-N 3 2 309.542 3.351 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H]1CC[NH+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910055 435861125 /nfs/dbraw/zinc/86/11/25/435861125.db2.gz FQVRGIWAVGOKOG-PKOBYXMFSA-N 3 2 309.542 3.351 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910055 435861129 /nfs/dbraw/zinc/86/11/29/435861129.db2.gz FQVRGIWAVGOKOG-PKOBYXMFSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910055 435861133 /nfs/dbraw/zinc/86/11/33/435861133.db2.gz FQVRGIWAVGOKOG-PKOBYXMFSA-N 3 2 309.542 3.351 20 0 DGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)C1CCCCC1 ZINC000651910055 435861139 /nfs/dbraw/zinc/86/11/39/435861139.db2.gz FQVRGIWAVGOKOG-PKOBYXMFSA-N 3 2 309.542 3.351 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660694383 435862182 /nfs/dbraw/zinc/86/21/82/435862182.db2.gz BZEIFPJGDRQMPP-GOSISDBHSA-N 2 2 322.468 3.349 20 0 DGADLP CCc1ncc(C[NH2+]CCC[N@@H+](CC)C2CCCCC2)cn1 ZINC000651910357 435862505 /nfs/dbraw/zinc/86/25/05/435862505.db2.gz QLXVFAOIZDGQLE-UHFFFAOYSA-N 2 2 304.482 3.173 20 0 DGADLP CCc1ncc(C[NH2+]CCC[N@H+](CC)C2CCCCC2)cn1 ZINC000651910357 435862512 /nfs/dbraw/zinc/86/25/12/435862512.db2.gz QLXVFAOIZDGQLE-UHFFFAOYSA-N 2 2 304.482 3.173 20 0 DGADLP C[N@@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642179634 435868129 /nfs/dbraw/zinc/86/81/29/435868129.db2.gz UZESXKWJJWEGIA-LLVKDONJSA-N 2 2 313.380 3.004 20 0 DGADLP C[N@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642179634 435868135 /nfs/dbraw/zinc/86/81/35/435868135.db2.gz UZESXKWJJWEGIA-LLVKDONJSA-N 2 2 313.380 3.004 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000651982990 435884222 /nfs/dbraw/zinc/88/42/22/435884222.db2.gz MUEXITGQMQPSFE-MDZRGWNJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000651982990 435884230 /nfs/dbraw/zinc/88/42/30/435884230.db2.gz MUEXITGQMQPSFE-MDZRGWNJSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc2oc([C@H](C)[NH2+]CC34CC(C3)C[NH2+]4)c(C)c2c1 ZINC000665277670 435935999 /nfs/dbraw/zinc/93/59/99/435935999.db2.gz HTTRFEPBHBGWFJ-ZVLZOBCMSA-N 2 2 300.402 3.152 20 0 DGADLP COCC[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856106 435908840 /nfs/dbraw/zinc/90/88/40/435908840.db2.gz YCALYDFXZBKUEQ-CQSZACIVSA-N 2 2 301.434 3.242 20 0 DGADLP CCOCCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660854895 435909823 /nfs/dbraw/zinc/90/98/23/435909823.db2.gz GMSHNUSSFNDHHO-UHFFFAOYSA-N 2 2 301.434 3.244 20 0 DGADLP CC(C)(C)[C@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857024 435910216 /nfs/dbraw/zinc/91/02/16/435910216.db2.gz DFWTYTAHRKBMNL-QGZVFWFLSA-N 2 2 315.461 3.224 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+]CC23CC(C2)C[NH2+]3)cc1OCC ZINC000665277396 435936345 /nfs/dbraw/zinc/93/63/45/435936345.db2.gz AKPOHUXDOCNRJQ-RCDNUKIMSA-N 2 2 318.461 3.277 20 0 DGADLP Cc1c2cccc(C)c2oc1C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660921869 435922574 /nfs/dbraw/zinc/92/25/74/435922574.db2.gz YZJQSIBEVKPEGU-MRXNPFEDSA-N 2 2 318.461 3.183 20 0 DGADLP Cc1c2cccc(C)c2oc1C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660921869 435922576 /nfs/dbraw/zinc/92/25/76/435922576.db2.gz YZJQSIBEVKPEGU-MRXNPFEDSA-N 2 2 318.461 3.183 20 0 DGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660921869 435922580 /nfs/dbraw/zinc/92/25/80/435922580.db2.gz YZJQSIBEVKPEGU-MRXNPFEDSA-N 2 2 318.461 3.183 20 0 DGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660921869 435922582 /nfs/dbraw/zinc/92/25/82/435922582.db2.gz YZJQSIBEVKPEGU-MRXNPFEDSA-N 2 2 318.461 3.183 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(F)cc1 ZINC000652203630 435923557 /nfs/dbraw/zinc/92/35/57/435923557.db2.gz TYGMHWUNBSIIRY-MOPGFXCFSA-N 2 2 322.468 3.349 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(F)cc1 ZINC000652203630 435923561 /nfs/dbraw/zinc/92/35/61/435923561.db2.gz TYGMHWUNBSIIRY-MOPGFXCFSA-N 2 2 322.468 3.349 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665274807 435936754 /nfs/dbraw/zinc/93/67/54/435936754.db2.gz YUHNEOLRSKHABR-PMPSAXMXSA-N 2 2 324.415 3.369 20 0 DGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665249968 435928440 /nfs/dbraw/zinc/92/84/40/435928440.db2.gz CVDRSKIYZNTQIQ-KFKAGJAMSA-N 2 2 310.441 3.492 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656276406 435934763 /nfs/dbraw/zinc/93/47/63/435934763.db2.gz FVCBCESLQXNLOY-NJAFHUGGSA-N 2 2 300.446 3.159 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656276406 435934767 /nfs/dbraw/zinc/93/47/67/435934767.db2.gz FVCBCESLQXNLOY-NJAFHUGGSA-N 2 2 300.446 3.159 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196820 435969744 /nfs/dbraw/zinc/96/97/44/435969744.db2.gz NPYKVALJYCQTLV-MAUKXSAKSA-N 2 2 310.445 3.258 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cn[nH]c1 ZINC000647196820 435969747 /nfs/dbraw/zinc/96/97/47/435969747.db2.gz NPYKVALJYCQTLV-MAUKXSAKSA-N 2 2 310.445 3.258 20 0 DGADLP CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000647243758 435987525 /nfs/dbraw/zinc/98/75/25/435987525.db2.gz OLRXYRSMRGHDQD-HOCLYGCPSA-N 2 2 301.434 3.067 20 0 DGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000647247974 435989681 /nfs/dbraw/zinc/98/96/81/435989681.db2.gz QRIOIJRYDNVOCX-XBXGTLAGSA-N 2 2 305.447 3.370 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000665282347 435937584 /nfs/dbraw/zinc/93/75/84/435937584.db2.gz WEYJSKFQSSDHCX-MSOLQXFVSA-N 2 2 319.399 3.412 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)c2ccccc21 ZINC000665283400 435939862 /nfs/dbraw/zinc/93/98/62/435939862.db2.gz NCPATXGIWWMZRP-UONOGXRCSA-N 2 2 318.323 3.243 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCc2ccco2)[C@H]2CCC[NH2+]2)cc1 ZINC000665283387 435940832 /nfs/dbraw/zinc/94/08/32/435940832.db2.gz MXHDBWMDZUISCE-RTBURBONSA-N 2 2 314.429 3.304 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000665295544 435942172 /nfs/dbraw/zinc/94/21/72/435942172.db2.gz FTPZMUNQJUMNBX-JOYOIKCWSA-N 2 2 315.280 3.184 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000665297697 435942728 /nfs/dbraw/zinc/94/27/28/435942728.db2.gz JZGANZCGDAOMKJ-OTYXRUKQSA-N 2 2 315.230 3.237 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000665296484 435943173 /nfs/dbraw/zinc/94/31/73/435943173.db2.gz TVSSCMYSPSHBRO-OLZOCXBDSA-N 2 2 303.475 3.301 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000665295543 435943286 /nfs/dbraw/zinc/94/32/86/435943286.db2.gz FTPZMUNQJUMNBX-CABZTGNLSA-N 2 2 315.280 3.184 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299174 435943889 /nfs/dbraw/zinc/94/38/89/435943889.db2.gz HYCAUBNILWGHMY-MLGOLLRUSA-N 2 2 323.362 3.149 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000665300518 435944547 /nfs/dbraw/zinc/94/45/47/435944547.db2.gz DGSDSJZPARVOAN-QAPCUYQASA-N 2 2 322.468 3.240 20 0 DGADLP Cc1[nH]c2ccc(-n3cc(C[N@@H+](C)C4CCCCC4)nn3)cc2[nH+]1 ZINC000656438991 435945935 /nfs/dbraw/zinc/94/59/35/435945935.db2.gz HTTOLTHKTUWOIE-UHFFFAOYSA-N 2 2 324.432 3.217 20 0 DGADLP Cc1[nH]c2ccc(-n3cc(C[N@H+](C)C4CCCCC4)nn3)cc2[nH+]1 ZINC000656438991 435945938 /nfs/dbraw/zinc/94/59/38/435945938.db2.gz HTTOLTHKTUWOIE-UHFFFAOYSA-N 2 2 324.432 3.217 20 0 DGADLP Cc1[nH]c2cc(-n3cc(C[N@@H+](C)C4CCCCC4)nn3)ccc2[nH+]1 ZINC000656438991 435945942 /nfs/dbraw/zinc/94/59/42/435945942.db2.gz HTTOLTHKTUWOIE-UHFFFAOYSA-N 2 2 324.432 3.217 20 0 DGADLP Cc1[nH]c2cc(-n3cc(C[N@H+](C)C4CCCCC4)nn3)ccc2[nH+]1 ZINC000656438991 435945947 /nfs/dbraw/zinc/94/59/47/435945947.db2.gz HTTOLTHKTUWOIE-UHFFFAOYSA-N 2 2 324.432 3.217 20 0 DGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)c1C ZINC000652354552 435957015 /nfs/dbraw/zinc/95/70/15/435957015.db2.gz BTIQCRWYMKHMAX-IAQYHMDHSA-N 2 2 323.506 3.061 20 0 DGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)c1C ZINC000652354552 435957019 /nfs/dbraw/zinc/95/70/19/435957019.db2.gz BTIQCRWYMKHMAX-IAQYHMDHSA-N 2 2 323.506 3.061 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352413 435957030 /nfs/dbraw/zinc/95/70/30/435957030.db2.gz UBZLWZQAQOPSOV-YOEHRIQHSA-N 2 2 307.507 3.293 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352413 435957033 /nfs/dbraw/zinc/95/70/33/435957033.db2.gz UBZLWZQAQOPSOV-YOEHRIQHSA-N 2 2 307.507 3.293 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000656702670 436011983 /nfs/dbraw/zinc/01/19/83/436011983.db2.gz RBBUXVMXZLSJIM-HNNXBMFYSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000656702670 436011987 /nfs/dbraw/zinc/01/19/87/436011987.db2.gz RBBUXVMXZLSJIM-HNNXBMFYSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc4c(c3)OCO4)cn21 ZINC000647364791 436032454 /nfs/dbraw/zinc/03/24/54/436032454.db2.gz MQKDVWZSRCXZNU-CQSZACIVSA-N 2 2 323.396 3.265 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647364470 436032503 /nfs/dbraw/zinc/03/25/03/436032503.db2.gz ARZYCSUCWNTULM-HNNXBMFYSA-N 2 2 323.440 3.415 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC4(CCCO4)CC3)cn21 ZINC000647363825 436032771 /nfs/dbraw/zinc/03/27/71/436032771.db2.gz KWPYSCPXMVAKIQ-UHFFFAOYSA-N 2 2 313.445 3.267 20 0 DGADLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1OCCC(C)C ZINC000656783675 436042398 /nfs/dbraw/zinc/04/23/98/436042398.db2.gz TUOHKEKUGKEPAH-UHFFFAOYSA-N 2 2 308.466 3.289 20 0 DGADLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OCCC(C)C ZINC000656783675 436042404 /nfs/dbraw/zinc/04/24/04/436042404.db2.gz TUOHKEKUGKEPAH-UHFFFAOYSA-N 2 2 308.466 3.289 20 0 DGADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000656790397 436046652 /nfs/dbraw/zinc/04/66/52/436046652.db2.gz PWGUKNISFHXOED-PMACEKPBSA-N 2 2 310.441 3.321 20 0 DGADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000656790280 436047915 /nfs/dbraw/zinc/04/79/15/436047915.db2.gz NMRBEEIVHWASAW-HZPDHXFCSA-N 2 2 304.434 3.431 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540659 436104152 /nfs/dbraw/zinc/10/41/52/436104152.db2.gz NPKAZZIZKNHQPO-UHFFFAOYSA-N 2 2 324.453 3.144 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661540659 436104154 /nfs/dbraw/zinc/10/41/54/436104154.db2.gz NPKAZZIZKNHQPO-UHFFFAOYSA-N 2 2 324.453 3.144 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480656 436058884 /nfs/dbraw/zinc/05/88/84/436058884.db2.gz WXRKXIHBMJACGY-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480656 436058890 /nfs/dbraw/zinc/05/88/90/436058890.db2.gz WXRKXIHBMJACGY-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480656 436058898 /nfs/dbraw/zinc/05/88/98/436058898.db2.gz WXRKXIHBMJACGY-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480656 436058905 /nfs/dbraw/zinc/05/89/05/436058905.db2.gz WXRKXIHBMJACGY-SJLPKXTDSA-N 2 2 310.445 3.041 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480286 436060253 /nfs/dbraw/zinc/06/02/53/436060253.db2.gz IOFMIAZZDGRTNS-YOEHRIQHSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000647480286 436060260 /nfs/dbraw/zinc/06/02/60/436060260.db2.gz IOFMIAZZDGRTNS-YOEHRIQHSA-N 2 2 308.853 3.313 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1[NH3+] ZINC000647498185 436065151 /nfs/dbraw/zinc/06/51/51/436065151.db2.gz CEMDRJDXHBRTOM-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)cs2)CC[C@H]1[NH3+] ZINC000647498185 436065157 /nfs/dbraw/zinc/06/51/57/436065157.db2.gz CEMDRJDXHBRTOM-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH3+] ZINC000647498588 436065226 /nfs/dbraw/zinc/06/52/26/436065226.db2.gz KURPLKCRYWUSJM-HZMBPMFUSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH3+] ZINC000647498588 436065227 /nfs/dbraw/zinc/06/52/27/436065227.db2.gz KURPLKCRYWUSJM-HZMBPMFUSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508297 436068213 /nfs/dbraw/zinc/06/82/13/436068213.db2.gz JZEMLTVNPQLSPK-LRDDRELGSA-N 2 2 320.433 3.102 20 0 DGADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000647508297 436068217 /nfs/dbraw/zinc/06/82/17/436068217.db2.gz JZEMLTVNPQLSPK-LRDDRELGSA-N 2 2 320.433 3.102 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000647508618 436068441 /nfs/dbraw/zinc/06/84/41/436068441.db2.gz VAFXFVSJXDJIOE-JXFKEZNVSA-N 2 2 310.441 3.210 20 0 DGADLP Cc1ccccc1-c1cccc(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000647508618 436068443 /nfs/dbraw/zinc/06/84/43/436068443.db2.gz VAFXFVSJXDJIOE-JXFKEZNVSA-N 2 2 310.441 3.210 20 0 DGADLP CCOc1c(Cl)cc(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647531462 436072688 /nfs/dbraw/zinc/07/26/88/436072688.db2.gz YGTHQIBMGCZAHF-UHFFFAOYSA-N 2 2 312.841 3.061 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C[C@@H]1[NH3+] ZINC000647539215 436075571 /nfs/dbraw/zinc/07/55/71/436075571.db2.gz GXNRMRUQAMPJHP-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C[C@@H]1[NH3+] ZINC000647539215 436075576 /nfs/dbraw/zinc/07/55/76/436075576.db2.gz GXNRMRUQAMPJHP-KUHUBIRLSA-N 2 2 314.404 3.184 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543436 436077754 /nfs/dbraw/zinc/07/77/54/436077754.db2.gz NIBULINFVSVODJ-RTBURBONSA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c[nH+]1 ZINC000647543436 436077757 /nfs/dbraw/zinc/07/77/57/436077757.db2.gz NIBULINFVSVODJ-RTBURBONSA-N 3 2 301.478 3.034 20 0 DGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)c1OC1CCCC1 ZINC000647548649 436080175 /nfs/dbraw/zinc/08/01/75/436080175.db2.gz MSOMJXLPATVISW-HOCLYGCPSA-N 2 2 318.461 3.104 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548616 436081626 /nfs/dbraw/zinc/08/16/26/436081626.db2.gz KWEWOTBFULZZDE-SQGPQFPESA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548616 436081631 /nfs/dbraw/zinc/08/16/31/436081631.db2.gz KWEWOTBFULZZDE-SQGPQFPESA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C1 ZINC000647549843 436082523 /nfs/dbraw/zinc/08/25/23/436082523.db2.gz TVMPBMYTENVLEQ-WMZOPIPTSA-N 2 2 310.441 3.320 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)cn21 ZINC000647553908 436082598 /nfs/dbraw/zinc/08/25/98/436082598.db2.gz MUSPTUQCSPXCHG-NVXWUHKLSA-N 3 2 314.477 3.086 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661489849 436084489 /nfs/dbraw/zinc/08/44/89/436084489.db2.gz CGIZRUQJOFESMZ-DNVCBOLYSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661489849 436084493 /nfs/dbraw/zinc/08/44/93/436084493.db2.gz CGIZRUQJOFESMZ-DNVCBOLYSA-N 2 2 313.445 3.164 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000657314608 436132147 /nfs/dbraw/zinc/13/21/47/436132147.db2.gz XPQMBLZFDPQOJA-STQMWFEESA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000657314608 436132153 /nfs/dbraw/zinc/13/21/53/436132153.db2.gz XPQMBLZFDPQOJA-STQMWFEESA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000657314606 436132205 /nfs/dbraw/zinc/13/22/05/436132205.db2.gz XPQMBLZFDPQOJA-OLZOCXBDSA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000657314606 436132212 /nfs/dbraw/zinc/13/22/12/436132212.db2.gz XPQMBLZFDPQOJA-OLZOCXBDSA-N 2 2 314.351 3.144 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2cccc(Br)c2)n1C ZINC000657329619 436139605 /nfs/dbraw/zinc/13/96/05/436139605.db2.gz AFHDMJGNALTLLH-LLVKDONJSA-N 2 2 322.250 3.212 20 0 DGADLP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647883397 436140174 /nfs/dbraw/zinc/14/01/74/436140174.db2.gz OHDXLODIKPQJAL-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647883397 436140179 /nfs/dbraw/zinc/14/01/79/436140179.db2.gz OHDXLODIKPQJAL-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904106 436145116 /nfs/dbraw/zinc/14/51/16/436145116.db2.gz WUWYYEGTMCZLJG-CJNGLKHVSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904106 436145123 /nfs/dbraw/zinc/14/51/23/436145123.db2.gz WUWYYEGTMCZLJG-CJNGLKHVSA-N 2 2 308.853 3.313 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CO1 ZINC000657338702 436145639 /nfs/dbraw/zinc/14/56/39/436145639.db2.gz SIYFPTJPDJZBAJ-GUDVDZBRSA-N 2 2 302.462 3.289 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000647903467 436145649 /nfs/dbraw/zinc/14/56/49/436145649.db2.gz JQKXJALWMAFJEV-IUODEOHRSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000647903467 436145654 /nfs/dbraw/zinc/14/56/54/436145654.db2.gz JQKXJALWMAFJEV-IUODEOHRSA-N 2 2 313.367 3.064 20 0 DGADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000657337628 436146609 /nfs/dbraw/zinc/14/66/09/436146609.db2.gz BZXOVMUWCCFOJZ-MSOLQXFVSA-N 3 2 321.553 3.494 20 0 DGADLP Cc1[nH]c(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)[nH+]c1C ZINC000657344606 436149489 /nfs/dbraw/zinc/14/94/89/436149489.db2.gz DHVDZFOYRTYTBE-SFHVURJKSA-N 2 2 312.461 3.343 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000666138796 436151655 /nfs/dbraw/zinc/15/16/55/436151655.db2.gz DSKYHAZVWGNVOF-STQMWFEESA-N 2 2 301.821 3.068 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000666138796 436151659 /nfs/dbraw/zinc/15/16/59/436151659.db2.gz DSKYHAZVWGNVOF-STQMWFEESA-N 2 2 301.821 3.068 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@H]1[NH3+] ZINC000647937772 436152354 /nfs/dbraw/zinc/15/23/54/436152354.db2.gz AXWNUTXOVADHJC-UMVBOHGHSA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC[C@H]1[NH3+] ZINC000647937772 436152359 /nfs/dbraw/zinc/15/23/59/436152359.db2.gz AXWNUTXOVADHJC-UMVBOHGHSA-N 2 2 323.868 3.035 20 0 DGADLP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C)([NH3+])CC3)n2)cc1F ZINC000647925490 436152540 /nfs/dbraw/zinc/15/25/40/436152540.db2.gz LIZMLOPMACGXCD-GFCCVEGCSA-N 2 2 318.396 3.058 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653120685 436113533 /nfs/dbraw/zinc/11/35/33/436113533.db2.gz XARJTNVCBWEDPQ-QZTJIDSGSA-N 2 2 323.396 3.343 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120687 436113890 /nfs/dbraw/zinc/11/38/90/436113890.db2.gz XARJTNVCBWEDPQ-ZWKOTPCHSA-N 2 2 323.396 3.343 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657294128 436120032 /nfs/dbraw/zinc/12/00/32/436120032.db2.gz FTGFJQCYGSKNPA-UHFFFAOYSA-N 2 2 306.425 3.329 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@H]1[NH3+] ZINC000647938787 436153936 /nfs/dbraw/zinc/15/39/36/436153936.db2.gz VBPJTMYQIQKNMB-BFYDXBDKSA-N 2 2 317.477 3.196 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC[C@H]1[NH3+] ZINC000647938787 436153942 /nfs/dbraw/zinc/15/39/42/436153942.db2.gz VBPJTMYQIQKNMB-BFYDXBDKSA-N 2 2 317.477 3.196 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657365400 436161161 /nfs/dbraw/zinc/16/11/61/436161161.db2.gz GITYCRGPEZWHCC-MRXNPFEDSA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@H]1[NH3+] ZINC000647938935 436155249 /nfs/dbraw/zinc/15/52/49/436155249.db2.gz XFRXHHZFOHNKFE-GZBFAFLISA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@H]1[NH3+] ZINC000647938935 436155255 /nfs/dbraw/zinc/15/52/55/436155255.db2.gz XFRXHHZFOHNKFE-GZBFAFLISA-N 2 2 323.868 3.035 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661734925 436171173 /nfs/dbraw/zinc/17/11/73/436171173.db2.gz AAFACCCTKXGURD-QGZVFWFLSA-N 2 2 317.408 3.183 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661734925 436171180 /nfs/dbraw/zinc/17/11/80/436171180.db2.gz AAFACCCTKXGURD-QGZVFWFLSA-N 2 2 317.408 3.183 20 0 DGADLP CC[C@H](CSc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657414583 436187614 /nfs/dbraw/zinc/18/76/14/436187614.db2.gz BXGMLMSARGVSPD-CQSZACIVSA-N 2 2 301.459 3.490 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657523038 436234656 /nfs/dbraw/zinc/23/46/56/436234656.db2.gz CSUZMGDZBDEGAB-KRWDZBQOSA-N 2 2 312.461 3.348 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657523038 436234657 /nfs/dbraw/zinc/23/46/57/436234657.db2.gz CSUZMGDZBDEGAB-KRWDZBQOSA-N 2 2 312.461 3.348 20 0 DGADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1SC ZINC000657524334 436235326 /nfs/dbraw/zinc/23/53/26/436235326.db2.gz KJNRPZYJLGVZHU-CQSZACIVSA-N 2 2 308.491 3.380 20 0 DGADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1SC ZINC000657524334 436235332 /nfs/dbraw/zinc/23/53/32/436235332.db2.gz KJNRPZYJLGVZHU-CQSZACIVSA-N 2 2 308.491 3.380 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000657528178 436236326 /nfs/dbraw/zinc/23/63/26/436236326.db2.gz RDUXQKAWJDFMEH-MEWCUZTCSA-N 2 2 302.462 3.227 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000657528178 436236332 /nfs/dbraw/zinc/23/63/32/436236332.db2.gz RDUXQKAWJDFMEH-MEWCUZTCSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536766 436238681 /nfs/dbraw/zinc/23/86/81/436238681.db2.gz ZMHAHZNGPFEQDB-LMMKCTJWSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000657536766 436238683 /nfs/dbraw/zinc/23/86/83/436238683.db2.gz ZMHAHZNGPFEQDB-LMMKCTJWSA-N 2 2 309.457 3.438 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C[N@@H+]1Cc1ccccc1 ZINC000666264745 436189698 /nfs/dbraw/zinc/18/96/98/436189698.db2.gz MZCGZZSGUIRPCI-OTWHNJEPSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C[N@H+]1Cc1ccccc1 ZINC000666264745 436189701 /nfs/dbraw/zinc/18/97/01/436189701.db2.gz MZCGZZSGUIRPCI-OTWHNJEPSA-N 2 2 316.489 3.180 20 0 DGADLP CC(C)n1cc[nH+]c1CN[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000657439059 436201745 /nfs/dbraw/zinc/20/17/45/436201745.db2.gz SKICJRVIROEPQC-QAPCUYQASA-N 2 2 300.450 3.245 20 0 DGADLP C[C@@H]1CC[N@H+](CCc2noc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000653586566 436216980 /nfs/dbraw/zinc/21/69/80/436216980.db2.gz UYYBCKIGSPYXFQ-RHSMWYFYSA-N 2 2 310.401 3.150 20 0 DGADLP C[C@@H]1CC[N@@H+](CCc2noc3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000653586566 436216983 /nfs/dbraw/zinc/21/69/83/436216983.db2.gz UYYBCKIGSPYXFQ-RHSMWYFYSA-N 2 2 310.401 3.150 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666855315 436294581 /nfs/dbraw/zinc/29/45/81/436294581.db2.gz LPNAKYOPDHNTGJ-OAHLLOKOSA-N 2 2 301.459 3.350 20 0 DGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657753518 436294939 /nfs/dbraw/zinc/29/49/39/436294939.db2.gz XEQWTQMCAZEXJV-QRQLOZEOSA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752199 436295933 /nfs/dbraw/zinc/29/59/33/436295933.db2.gz NHJRHQCKTYIFLA-KSSFIOAISA-N 2 2 322.880 3.114 20 0 DGADLP CC[C@H](COCC1CC1)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000657559998 436245548 /nfs/dbraw/zinc/24/55/48/436245548.db2.gz CIWJADXJWTXPCO-QGZVFWFLSA-N 2 2 313.445 3.476 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657588382 436255735 /nfs/dbraw/zinc/25/57/35/436255735.db2.gz PMHAUEPANJPXDK-XLIONFOSSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657588382 436255739 /nfs/dbraw/zinc/25/57/39/436255739.db2.gz PMHAUEPANJPXDK-XLIONFOSSA-N 2 2 309.457 3.358 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653742892 436255890 /nfs/dbraw/zinc/25/58/90/436255890.db2.gz JCGDTZYTNWMGOL-MLGOLLRUSA-N 2 2 312.417 3.182 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000657637971 436266809 /nfs/dbraw/zinc/26/68/09/436266809.db2.gz NZARQJZIXVNWRU-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000657637971 436266814 /nfs/dbraw/zinc/26/68/14/436266814.db2.gz NZARQJZIXVNWRU-AEFFLSMTSA-N 2 2 304.478 3.302 20 0 DGADLP COCc1csc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000657659612 436271428 /nfs/dbraw/zinc/27/14/28/436271428.db2.gz OQZWEXWROZCYFJ-UHFFFAOYSA-N 2 2 301.415 3.140 20 0 DGADLP C[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1(F)F ZINC000657665501 436272981 /nfs/dbraw/zinc/27/29/81/436272981.db2.gz MXZUHXZKPXAJTF-NSHDSACASA-N 2 2 300.315 3.038 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(-c2cc3ccccc3o2)n1 ZINC000666768178 436277620 /nfs/dbraw/zinc/27/76/20/436277620.db2.gz AOTJFMWDVMPKQV-INIZCTEOSA-N 2 2 324.428 3.065 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653910160 436297429 /nfs/dbraw/zinc/29/74/29/436297429.db2.gz UTADVCUBYAYCFV-QZTJIDSGSA-N 2 2 313.445 3.422 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653910160 436297432 /nfs/dbraw/zinc/29/74/32/436297432.db2.gz UTADVCUBYAYCFV-QZTJIDSGSA-N 2 2 313.445 3.422 20 0 DGADLP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666769904 436279352 /nfs/dbraw/zinc/27/93/52/436279352.db2.gz GVKCVGXJXZSHOW-QAPCUYQASA-N 2 2 317.477 3.259 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000657694381 436281067 /nfs/dbraw/zinc/28/10/67/436281067.db2.gz LFNMRUJBQCQYKA-WJFTUGDTSA-N 2 2 308.510 3.292 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657977978 436349393 /nfs/dbraw/zinc/34/93/93/436349393.db2.gz IXAGTZWFAWQPHL-NXHRZFHOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657977978 436349395 /nfs/dbraw/zinc/34/93/95/436349395.db2.gz IXAGTZWFAWQPHL-NXHRZFHOSA-N 2 2 304.503 3.382 20 0 DGADLP COc1ccc(-c2nc(C[NH2+]C3(C)CC[NH2+]CC3)cs2)cc1 ZINC000666881158 436299231 /nfs/dbraw/zinc/29/92/31/436299231.db2.gz YJQJYUAWOVQSEI-UHFFFAOYSA-N 2 2 317.458 3.050 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662232580 436305464 /nfs/dbraw/zinc/30/54/64/436305464.db2.gz BDJINSUFTRBQNF-GXTWGEPZSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662232580 436305469 /nfs/dbraw/zinc/30/54/69/436305469.db2.gz BDJINSUFTRBQNF-GXTWGEPZSA-N 2 2 319.371 3.013 20 0 DGADLP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000657814702 436314803 /nfs/dbraw/zinc/31/48/03/436314803.db2.gz BTGDOONTHWAXOB-PKOBYXMFSA-N 2 2 310.445 3.145 20 0 DGADLP c1ccc([C@H](C[NH2+][C@@H]2COC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000657815185 436316048 /nfs/dbraw/zinc/31/60/48/436316048.db2.gz FMBMNDKYSKAQCB-ROUUACIJSA-N 2 2 300.446 3.125 20 0 DGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000666965388 436317428 /nfs/dbraw/zinc/31/74/28/436317428.db2.gz DVNMNRZAEWTAEK-CXAGYDPISA-N 2 2 306.450 3.103 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968881 436317894 /nfs/dbraw/zinc/31/78/94/436317894.db2.gz YKEKAMCYWULROJ-RDJZCZTQSA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968881 436317899 /nfs/dbraw/zinc/31/78/99/436317899.db2.gz YKEKAMCYWULROJ-RDJZCZTQSA-N 2 2 312.461 3.020 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000662273910 436321766 /nfs/dbraw/zinc/32/17/66/436321766.db2.gz BGMKEJWMKXHPNO-QZTJIDSGSA-N 2 2 320.502 3.394 20 0 DGADLP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000662273910 436321769 /nfs/dbraw/zinc/32/17/69/436321769.db2.gz BGMKEJWMKXHPNO-QZTJIDSGSA-N 2 2 320.502 3.394 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000657840905 436323872 /nfs/dbraw/zinc/32/38/72/436323872.db2.gz YGARUMPXCDLMLG-CEXWTWQISA-N 2 2 313.489 3.460 20 0 DGADLP [NH3+]CC12CC(C1)C[N@@H+]2CCOC(c1ccccc1)c1ccccc1 ZINC000662306471 436327599 /nfs/dbraw/zinc/32/75/99/436327599.db2.gz CDPICUYYYXIMNE-UHFFFAOYSA-N 2 2 322.452 3.216 20 0 DGADLP [NH3+]CC12CC(C1)C[N@H+]2CCOC(c1ccccc1)c1ccccc1 ZINC000662306471 436327607 /nfs/dbraw/zinc/32/76/07/436327607.db2.gz CDPICUYYYXIMNE-UHFFFAOYSA-N 2 2 322.452 3.216 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000657870974 436329734 /nfs/dbraw/zinc/32/97/34/436329734.db2.gz HLHBHGRWVZCIAY-NJAFHUGGSA-N 2 2 310.445 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872100 436330047 /nfs/dbraw/zinc/33/00/47/436330047.db2.gz NBDIKSYYRFJQME-GDBMZVCRSA-N 2 2 308.416 3.499 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000657872100 436330050 /nfs/dbraw/zinc/33/00/50/436330050.db2.gz NBDIKSYYRFJQME-GDBMZVCRSA-N 2 2 308.416 3.499 20 0 DGADLP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324079 436330798 /nfs/dbraw/zinc/33/07/98/436330798.db2.gz UKVZZZOAAKRRQB-GOSISDBHSA-N 2 2 320.477 3.016 20 0 DGADLP CC(C)Oc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324079 436330802 /nfs/dbraw/zinc/33/08/02/436330802.db2.gz UKVZZZOAAKRRQB-GOSISDBHSA-N 2 2 320.477 3.016 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CCO1 ZINC000662321340 436331008 /nfs/dbraw/zinc/33/10/08/436331008.db2.gz BSFNZVALNHDHLO-AWEZNQCLSA-N 2 2 314.832 3.022 20 0 DGADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CCO1 ZINC000662321340 436331013 /nfs/dbraw/zinc/33/10/13/436331013.db2.gz BSFNZVALNHDHLO-AWEZNQCLSA-N 2 2 314.832 3.022 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667061144 436333254 /nfs/dbraw/zinc/33/32/54/436333254.db2.gz IKGMBQWXGJNSEB-KRWDZBQOSA-N 2 2 324.428 3.094 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667061144 436333258 /nfs/dbraw/zinc/33/32/58/436333258.db2.gz IKGMBQWXGJNSEB-KRWDZBQOSA-N 2 2 324.428 3.094 20 0 DGADLP C[C@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C(C)(C)C(F)F ZINC000657891532 436334740 /nfs/dbraw/zinc/33/47/40/436334740.db2.gz UNBAVLPUHDSHRU-ZDUSSCGKSA-N 2 2 310.432 3.355 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057176 436362032 /nfs/dbraw/zinc/36/20/32/436362032.db2.gz NTGCZOLCADUPJL-HZPDHXFCSA-N 2 2 317.477 3.175 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057176 436362034 /nfs/dbraw/zinc/36/20/34/436362034.db2.gz NTGCZOLCADUPJL-HZPDHXFCSA-N 2 2 317.477 3.175 20 0 DGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658064302 436363358 /nfs/dbraw/zinc/36/33/58/436363358.db2.gz ZFUUBODYBRYBLJ-CZUORRHYSA-N 2 2 306.425 3.284 20 0 DGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658064302 436363362 /nfs/dbraw/zinc/36/33/62/436363362.db2.gz ZFUUBODYBRYBLJ-CZUORRHYSA-N 2 2 306.425 3.284 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062547 436363688 /nfs/dbraw/zinc/36/36/88/436363688.db2.gz SKVYOLVUKQNZFM-SWLSCSKDSA-N 2 2 306.425 3.284 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062547 436363690 /nfs/dbraw/zinc/36/36/90/436363690.db2.gz SKVYOLVUKQNZFM-SWLSCSKDSA-N 2 2 306.425 3.284 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091005 436371325 /nfs/dbraw/zinc/37/13/25/436371325.db2.gz KBEYHYLKFISBCR-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091005 436371328 /nfs/dbraw/zinc/37/13/28/436371328.db2.gz KBEYHYLKFISBCR-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094385 436373529 /nfs/dbraw/zinc/37/35/29/436373529.db2.gz YQVOYZFMJUWPNA-ZWKOTPCHSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094385 436373532 /nfs/dbraw/zinc/37/35/32/436373532.db2.gz YQVOYZFMJUWPNA-ZWKOTPCHSA-N 2 2 322.468 3.236 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095765 436373671 /nfs/dbraw/zinc/37/36/71/436373671.db2.gz LOXAJAROZDOFON-CVEARBPZSA-N 2 2 316.424 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H](N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095765 436373673 /nfs/dbraw/zinc/37/36/73/436373673.db2.gz LOXAJAROZDOFON-CVEARBPZSA-N 2 2 316.424 3.101 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662698484 436380317 /nfs/dbraw/zinc/38/03/17/436380317.db2.gz NRQDPFIPBQKMBJ-UHFFFAOYSA-N 2 2 323.396 3.487 20 0 DGADLP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000662732141 436381457 /nfs/dbraw/zinc/38/14/57/436381457.db2.gz KRRUWNQRIOHQGP-INIZCTEOSA-N 2 2 311.385 3.201 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(OC)c1 ZINC000658163987 436393484 /nfs/dbraw/zinc/39/34/84/436393484.db2.gz MGGWYRWSCXESBW-GOSISDBHSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c2nccn21 ZINC000658195499 436398673 /nfs/dbraw/zinc/39/86/73/436398673.db2.gz VFLKFFXIRGJUSP-PVAVHDDUSA-N 2 2 321.428 3.196 20 0 DGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000658022697 436356135 /nfs/dbraw/zinc/35/61/35/436356135.db2.gz CUWPXLBLHIOKNW-CYBMUJFWSA-N 2 2 317.820 3.327 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055390 436359909 /nfs/dbraw/zinc/35/99/09/436359909.db2.gz IFINOQFFGQTLOA-HIFRSBDPSA-N 2 2 307.457 3.415 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nccn1C ZINC000658336058 436435025 /nfs/dbraw/zinc/43/50/25/436435025.db2.gz MKTVNDXJBHDGTH-VYDXJSESSA-N 2 2 304.482 3.114 20 0 DGADLP Nc1cccc2c1cc[nH+]c2NC1CCN(c2cccc[nH+]2)CC1 ZINC000663390829 436451118 /nfs/dbraw/zinc/45/11/18/436451118.db2.gz ZDMULLAESYZJAJ-UHFFFAOYSA-N 2 2 319.412 3.293 20 0 DGADLP Cc1cc(C(F)(F)F)cc(NCc2ccc[nH+]c2N(C)C)[nH+]1 ZINC000663389853 436451415 /nfs/dbraw/zinc/45/14/15/436451415.db2.gz UCMCUVDGDOCEJC-UHFFFAOYSA-N 2 2 310.323 3.482 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286792 436419791 /nfs/dbraw/zinc/41/97/91/436419791.db2.gz VEYFOXVXAJKHCC-APWZRJJASA-N 2 2 324.472 3.324 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000658286792 436419793 /nfs/dbraw/zinc/41/97/93/436419793.db2.gz VEYFOXVXAJKHCC-APWZRJJASA-N 2 2 324.472 3.324 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000658295683 436420202 /nfs/dbraw/zinc/42/02/02/436420202.db2.gz UXYVGEKKOBWDRM-MSOLQXFVSA-N 2 2 306.425 3.120 20 0 DGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658294977 436420734 /nfs/dbraw/zinc/42/07/34/436420734.db2.gz QIIFJXHXVIYSCF-WMZOPIPTSA-N 2 2 320.864 3.170 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663473933 436466895 /nfs/dbraw/zinc/46/68/95/436466895.db2.gz ZWPICRHCMDEDGD-SZMVWBNQSA-N 2 2 324.472 3.180 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)[C@@H](C)C1 ZINC000663473933 436466897 /nfs/dbraw/zinc/46/68/97/436466897.db2.gz ZWPICRHCMDEDGD-SZMVWBNQSA-N 2 2 324.472 3.180 20 0 DGADLP Cc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1Oc1cccnc1 ZINC000663501595 436470541 /nfs/dbraw/zinc/47/05/41/436470541.db2.gz KDJNFRSSVSJGTJ-UHFFFAOYSA-N 2 2 309.413 3.024 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000663508705 436471626 /nfs/dbraw/zinc/47/16/26/436471626.db2.gz SPXUCZWMLVNBCE-AWEZNQCLSA-N 2 2 302.393 3.102 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000663508759 436471732 /nfs/dbraw/zinc/47/17/32/436471732.db2.gz DAWVBPVFJBZODU-AWEZNQCLSA-N 2 2 324.428 3.138 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000663508462 436471737 /nfs/dbraw/zinc/47/17/37/436471737.db2.gz AIUXKVMKDAHHIS-ZDUSSCGKSA-N 2 2 320.458 3.033 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000663508706 436471795 /nfs/dbraw/zinc/47/17/95/436471795.db2.gz SPXUCZWMLVNBCE-CQSZACIVSA-N 2 2 302.393 3.102 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000663510095 436473270 /nfs/dbraw/zinc/47/32/70/436473270.db2.gz PDFGGQDTOXBFSZ-AWEZNQCLSA-N 2 2 314.429 3.068 20 0 DGADLP C[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)C[C@@H]1n1cc[nH+]c1 ZINC000663714762 436495770 /nfs/dbraw/zinc/49/57/70/436495770.db2.gz ZSRRKWMRRVPNKD-DYVFJYSZSA-N 2 2 307.401 3.101 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814309 436533888 /nfs/dbraw/zinc/53/38/88/436533888.db2.gz MLHBAUQXUVMYDP-QGPMSJSTSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814309 436533891 /nfs/dbraw/zinc/53/38/91/436533891.db2.gz MLHBAUQXUVMYDP-QGPMSJSTSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814309 436533892 /nfs/dbraw/zinc/53/38/92/436533892.db2.gz MLHBAUQXUVMYDP-QGPMSJSTSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814309 436533894 /nfs/dbraw/zinc/53/38/94/436533894.db2.gz MLHBAUQXUVMYDP-QGPMSJSTSA-N 2 2 320.477 3.069 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655446301 436550233 /nfs/dbraw/zinc/55/02/33/436550233.db2.gz MKTYAIIMLVQZIQ-MJGOQNOKSA-N 2 2 323.396 3.202 20 0 DGADLP C[C@H](CCNc1[nH+]cnc2[nH]c3cc(F)ccc3c21)[NH+](C)C ZINC000664245939 436579605 /nfs/dbraw/zinc/57/96/05/436579605.db2.gz QHHILZWLEHKGPF-SNVBAGLBSA-N 2 2 301.369 3.002 20 0 DGADLP c1ccc2c(NCc3ccc[nH+]c3N3CCCC3)cc[nH+]c2c1 ZINC000664191458 436572436 /nfs/dbraw/zinc/57/24/36/436572436.db2.gz IHHUUXDXJMJENC-UHFFFAOYSA-N 2 2 304.397 3.264 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655680536 436572521 /nfs/dbraw/zinc/57/25/21/436572521.db2.gz OSSSDXXLIYFTCZ-QZTJIDSGSA-N 2 2 312.461 3.391 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655680537 436572853 /nfs/dbraw/zinc/57/28/53/436572853.db2.gz OSSSDXXLIYFTCZ-ROUUACIJSA-N 2 2 312.461 3.391 20 0 DGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)s1 ZINC000655692044 436575820 /nfs/dbraw/zinc/57/58/20/436575820.db2.gz COQQQDJAUKXPOY-XJKSGUPXSA-N 2 2 308.491 3.269 20 0 DGADLP COc1cccc(SCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000659999097 436577220 /nfs/dbraw/zinc/57/72/20/436577220.db2.gz NAJRGMUSULQXNC-UHFFFAOYSA-N 2 2 317.458 3.390 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1Cl ZINC000660128916 436593621 /nfs/dbraw/zinc/59/36/21/436593621.db2.gz OFBYBAYZPKMTLT-CYBMUJFWSA-N 2 2 305.809 3.072 20 0 DGADLP COc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)sn1 ZINC000660245264 436612417 /nfs/dbraw/zinc/61/24/17/436612417.db2.gz QBHLQPBTPLEULC-UHFFFAOYSA-N 2 2 320.462 3.041 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CCC(C[NH3+])CC1)[NH+](C)C ZINC000423059273 302208639 /nfs/dbraw/zinc/20/86/39/302208639.db2.gz LLAAOAMLSZRMRV-LOTPSLMQSA-N 3 2 303.494 3.093 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072907 302887614 /nfs/dbraw/zinc/88/76/14/302887614.db2.gz XHRCFJPNRLRNEG-UHFFFAOYSA-N 2 2 307.869 3.172 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](CC)[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000133878918 312678519 /nfs/dbraw/zinc/67/85/19/312678519.db2.gz QCSQXYBEYMYOKU-QYZOEREBSA-N 2 2 304.478 3.256 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000133899363 312678609 /nfs/dbraw/zinc/67/86/09/312678609.db2.gz ABCMNBLVIKBWEB-KXBFYZLASA-N 2 2 304.478 3.256 20 0 DGADLP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000344452844 312844719 /nfs/dbraw/zinc/84/47/19/312844719.db2.gz XJBXDCGMMRFDPO-CWIOURORSA-N 2 2 313.445 3.449 20 0 DGADLP FC(F)Oc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376716792 312978678 /nfs/dbraw/zinc/97/86/78/312978678.db2.gz OOQNDTAOQVYFAD-UHFFFAOYSA-N 2 2 307.344 3.111 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)c[nH+]1 ZINC000376739323 312980826 /nfs/dbraw/zinc/98/08/26/312980826.db2.gz YBQMROUVPCWJIY-SFHVURJKSA-N 2 2 311.429 3.311 20 0 DGADLP Cc1cccc([C@@H](C)[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528730241 313067916 /nfs/dbraw/zinc/06/79/16/313067916.db2.gz XSYGDGLKACZXRK-QGZVFWFLSA-N 2 2 302.462 3.243 20 0 DGADLP Fc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nc1 ZINC000529566685 313229112 /nfs/dbraw/zinc/22/91/12/313229112.db2.gz LQNHPCCBUCYAKA-OALUTQOASA-N 2 2 322.387 3.436 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000529664085 313249266 /nfs/dbraw/zinc/24/92/66/313249266.db2.gz JADBJKUYHANIHP-UHFFFAOYSA-N 2 2 314.429 3.120 20 0 DGADLP c1csc(-c2ncc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)s2)c1 ZINC000530179315 313334539 /nfs/dbraw/zinc/33/45/39/313334539.db2.gz STVWHDFZXCAMGT-CYBMUJFWSA-N 2 2 305.472 3.246 20 0 DGADLP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410677 313367098 /nfs/dbraw/zinc/36/70/98/313367098.db2.gz LGDIXDHQGAUDTB-DLBZAZTESA-N 2 2 315.461 3.307 20 0 DGADLP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH+]c1 ZINC000530410677 313367101 /nfs/dbraw/zinc/36/71/01/313367101.db2.gz LGDIXDHQGAUDTB-DLBZAZTESA-N 2 2 315.461 3.307 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CCOCC1 ZINC000531962590 313506010 /nfs/dbraw/zinc/50/60/10/313506010.db2.gz SBZHYGYOTOCNOU-OALUTQOASA-N 2 2 304.478 3.393 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000532197198 313526549 /nfs/dbraw/zinc/52/65/49/313526549.db2.gz AIJPZYYGWZXFJH-RBSFLKMASA-N 2 2 310.869 3.490 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000542163420 314059003 /nfs/dbraw/zinc/05/90/03/314059003.db2.gz MXJUQZNHPSUVBA-AWEZNQCLSA-N 2 2 322.880 3.439 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000542163420 314059008 /nfs/dbraw/zinc/05/90/08/314059008.db2.gz MXJUQZNHPSUVBA-AWEZNQCLSA-N 2 2 322.880 3.439 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000543140989 314116081 /nfs/dbraw/zinc/11/60/81/314116081.db2.gz ACLNDLHQFMNPAD-MRXNPFEDSA-N 2 2 312.461 3.427 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC)c1ccn(C)n1 ZINC000544567850 314199591 /nfs/dbraw/zinc/19/95/91/314199591.db2.gz IZTRHDJIOSIKAK-IXDOHACOSA-N 2 2 306.498 3.361 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000556155954 314746081 /nfs/dbraw/zinc/74/60/81/314746081.db2.gz UTPHOQOFKKZLMK-PIKOESSRSA-N 2 2 318.505 3.485 20 0 DGADLP CCc1ccc([C@H](C[NH2+]C2CCOCC2)[NH+](CC)CC)cc1 ZINC000559871325 314893751 /nfs/dbraw/zinc/89/37/51/314893751.db2.gz LSSGSEDJKLRSPD-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP Cn1c2ccc(NC(=O)CCCC[NH+](C)C)cc2[nH+]c1C1CC1 ZINC000560021179 314898819 /nfs/dbraw/zinc/89/88/19/314898819.db2.gz YNQFRHNTAOEJOW-UHFFFAOYSA-N 2 2 314.433 3.121 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H](C)O1 ZINC000562515751 315026301 /nfs/dbraw/zinc/02/63/01/315026301.db2.gz YWNNWEWMYUPGHM-ISARSNTHSA-N 2 2 302.462 3.369 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000563339449 315103533 /nfs/dbraw/zinc/10/35/33/315103533.db2.gz UTQPVMZAVUPZQM-FOIQADDNSA-N 2 2 309.457 3.009 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349416 315104602 /nfs/dbraw/zinc/10/46/02/315104602.db2.gz IPQGPSVTDCKLOM-BXUZGUMPSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000563349416 315104605 /nfs/dbraw/zinc/10/46/05/315104605.db2.gz IPQGPSVTDCKLOM-BXUZGUMPSA-N 2 2 305.422 3.261 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)n1C ZINC000563438020 315115805 /nfs/dbraw/zinc/11/58/05/315115805.db2.gz CNSGYYUVGYTDGI-UHFFFAOYSA-N 2 2 314.433 3.125 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)n1C ZINC000563441747 315116442 /nfs/dbraw/zinc/11/64/42/315116442.db2.gz ZKTQRELELVBGAD-UHFFFAOYSA-N 2 2 314.433 3.003 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000563444773 315116609 /nfs/dbraw/zinc/11/66/09/315116609.db2.gz QFZCZMHPLIAOKX-BZSNNMDCSA-N 2 2 318.509 3.156 20 0 DGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000564074309 315155575 /nfs/dbraw/zinc/15/55/75/315155575.db2.gz ULLDDPYUFKRGBT-CEXWTWQISA-N 2 2 318.424 3.244 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096412 315157103 /nfs/dbraw/zinc/15/71/03/315157103.db2.gz KOVXBTPRGQDGGX-NHCUHLMSSA-N 2 2 324.468 3.099 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096412 315157104 /nfs/dbraw/zinc/15/71/04/315157104.db2.gz KOVXBTPRGQDGGX-NHCUHLMSSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096412 315157107 /nfs/dbraw/zinc/15/71/07/315157107.db2.gz KOVXBTPRGQDGGX-NHCUHLMSSA-N 2 2 324.468 3.099 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000564096412 315157110 /nfs/dbraw/zinc/15/71/10/315157110.db2.gz KOVXBTPRGQDGGX-NHCUHLMSSA-N 2 2 324.468 3.099 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000564129797 315158979 /nfs/dbraw/zinc/15/89/79/315158979.db2.gz SYTLCBIQYZIRIM-LJQANCHMSA-N 3 2 303.494 3.423 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324729 315169265 /nfs/dbraw/zinc/16/92/65/315169265.db2.gz HDULSEUMHLNKQV-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324729 315169266 /nfs/dbraw/zinc/16/92/66/315169266.db2.gz HDULSEUMHLNKQV-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324729 315169267 /nfs/dbraw/zinc/16/92/67/315169267.db2.gz HDULSEUMHLNKQV-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000564324729 315169268 /nfs/dbraw/zinc/16/92/68/315169268.db2.gz HDULSEUMHLNKQV-PBHICJAKSA-N 2 2 320.864 3.191 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000565607775 315274430 /nfs/dbraw/zinc/27/44/30/315274430.db2.gz XSCQZPGWXPLUSD-SFHVURJKSA-N 2 2 321.424 3.442 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000565607775 315274432 /nfs/dbraw/zinc/27/44/32/315274432.db2.gz XSCQZPGWXPLUSD-SFHVURJKSA-N 2 2 321.424 3.442 20 0 DGADLP Cc1[nH]c(CNCc2ccccc2C[N@@H+](C)C(C)C)[nH+]c1C ZINC000566020892 315304929 /nfs/dbraw/zinc/30/49/29/315304929.db2.gz HRJBUGZCYJPOSS-UHFFFAOYSA-N 2 2 300.450 3.157 20 0 DGADLP Cc1[nH]c(CNCc2ccccc2C[N@H+](C)C(C)C)[nH+]c1C ZINC000566020892 315304932 /nfs/dbraw/zinc/30/49/32/315304932.db2.gz HRJBUGZCYJPOSS-UHFFFAOYSA-N 2 2 300.450 3.157 20 0 DGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000566111446 315313179 /nfs/dbraw/zinc/31/31/79/315313179.db2.gz GHUKHNIGUWRVHZ-UZLBHIALSA-N 2 2 321.424 3.127 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000566414671 315342996 /nfs/dbraw/zinc/34/29/96/315342996.db2.gz SIYIXUWIPZUZGL-GFCCVEGCSA-N 2 2 323.799 3.081 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000566414671 315342999 /nfs/dbraw/zinc/34/29/99/315342999.db2.gz SIYIXUWIPZUZGL-GFCCVEGCSA-N 2 2 323.799 3.081 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000566500785 315354178 /nfs/dbraw/zinc/35/41/78/315354178.db2.gz MAYAFUPIWWWGEI-KRWDZBQOSA-N 2 2 308.510 3.436 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NCC3CC[NH+](C4CC4)CC3)c21 ZINC000567323028 315413015 /nfs/dbraw/zinc/41/30/15/315413015.db2.gz GQAAWNCSMAEUHH-UHFFFAOYSA-N 2 2 321.428 3.397 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c[nH+]1 ZINC000569276285 315569844 /nfs/dbraw/zinc/56/98/44/315569844.db2.gz ODYYNFLGDKYMID-IBGZPJMESA-N 2 2 315.436 3.354 20 0 DGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000570667637 315665721 /nfs/dbraw/zinc/66/57/21/315665721.db2.gz INFLOMFDMGCAAR-ZDUSSCGKSA-N 2 2 321.346 3.414 20 0 DGADLP CCc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000574457109 315968310 /nfs/dbraw/zinc/96/83/10/315968310.db2.gz QLPONDWGKFFYKY-UHFFFAOYSA-N 2 2 324.468 3.371 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000574836210 316005420 /nfs/dbraw/zinc/00/54/20/316005420.db2.gz ZQMMOSLALDBSQK-MJGOQNOKSA-N 2 2 314.473 3.159 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000574836210 316005422 /nfs/dbraw/zinc/00/54/22/316005422.db2.gz ZQMMOSLALDBSQK-MJGOQNOKSA-N 2 2 314.473 3.159 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)n1-c1ccccc1 ZINC000575181890 316040336 /nfs/dbraw/zinc/04/03/36/316040336.db2.gz JLNDWJBBVBIXJM-HNNXBMFYSA-N 2 2 311.429 3.324 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)n1-c1ccccc1 ZINC000575181890 316040338 /nfs/dbraw/zinc/04/03/38/316040338.db2.gz JLNDWJBBVBIXJM-HNNXBMFYSA-N 2 2 311.429 3.324 20 0 DGADLP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000575183880 316041511 /nfs/dbraw/zinc/04/15/11/316041511.db2.gz GVWGEIQQGDXMLW-UHFFFAOYSA-N 2 2 320.396 3.391 20 0 DGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000575927565 316076777 /nfs/dbraw/zinc/07/67/77/316076777.db2.gz HFEHMTZUNABHHP-ROUUACIJSA-N 2 2 322.880 3.116 20 0 DGADLP COC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1 ZINC000576077629 316091445 /nfs/dbraw/zinc/09/14/45/316091445.db2.gz XOQLMVUKTZJZFP-MRXNPFEDSA-N 2 2 319.836 3.350 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)n1C ZINC000576362121 316122962 /nfs/dbraw/zinc/12/29/62/316122962.db2.gz UQIPYZGYZOXRAS-MSOLQXFVSA-N 2 2 313.445 3.202 20 0 DGADLP Cn1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)n1 ZINC000576695607 316157753 /nfs/dbraw/zinc/15/77/53/316157753.db2.gz QYPFNYMPMNLKME-BFYDXBDKSA-N 2 2 318.852 3.022 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000577395477 316232003 /nfs/dbraw/zinc/23/20/03/316232003.db2.gz LIGWCERFBHJZAD-LBPRGKRZSA-N 2 2 301.261 3.467 20 0 DGADLP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000577395477 316232006 /nfs/dbraw/zinc/23/20/06/316232006.db2.gz LIGWCERFBHJZAD-LBPRGKRZSA-N 2 2 301.261 3.467 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000577480184 316239697 /nfs/dbraw/zinc/23/96/97/316239697.db2.gz YNNXWDKQLJXQNE-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000577480184 316239700 /nfs/dbraw/zinc/23/97/00/316239700.db2.gz YNNXWDKQLJXQNE-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000577480184 316239704 /nfs/dbraw/zinc/23/97/04/316239704.db2.gz YNNXWDKQLJXQNE-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000577480184 316239708 /nfs/dbraw/zinc/23/97/08/316239708.db2.gz YNNXWDKQLJXQNE-UHFFFAOYSA-N 2 2 311.433 3.234 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CO1 ZINC000577729718 316264870 /nfs/dbraw/zinc/26/48/70/316264870.db2.gz YMLSKZZSHROQBV-GUYCJALGSA-N 2 2 308.853 3.071 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000578009808 316294200 /nfs/dbraw/zinc/29/42/00/316294200.db2.gz GFIHYAWUIUFJAS-RTBURBONSA-N 3 2 303.494 3.423 20 0 DGADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000179965321 323218673 /nfs/dbraw/zinc/21/86/73/323218673.db2.gz WLSGYLSEGZKCOG-UHFFFAOYSA-N 2 2 312.461 3.050 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C12CCCC2 ZINC000181457079 323254579 /nfs/dbraw/zinc/25/45/79/323254579.db2.gz GCYHWWOJRNVPHQ-IAGOWNOFSA-N 2 2 313.445 3.204 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C[C@@H]1OC ZINC000181457209 323254700 /nfs/dbraw/zinc/25/47/00/323254700.db2.gz UPYKAYMUCZVQOH-CVEARBPZSA-N 2 2 301.434 3.060 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)CCCOC)c(C)c2)CC1 ZINC000182566492 323305304 /nfs/dbraw/zinc/30/53/04/323305304.db2.gz DMKKLJTWFZJMSE-KRWDZBQOSA-N 2 2 319.493 3.364 20 0 DGADLP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1[nH+]ccn1C ZINC000182803686 323313083 /nfs/dbraw/zinc/31/30/83/323313083.db2.gz IMCNCHCQYUXWRJ-AWEZNQCLSA-N 2 2 316.474 3.142 20 0 DGADLP CCO[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181421 323328638 /nfs/dbraw/zinc/32/86/38/323328638.db2.gz VLNWYUZJBCTTGR-IAGOWNOFSA-N 2 2 305.466 3.333 20 0 DGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C12CCCCC2 ZINC000183181421 323328640 /nfs/dbraw/zinc/32/86/40/323328640.db2.gz VLNWYUZJBCTTGR-IAGOWNOFSA-N 2 2 305.466 3.333 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695979 323393069 /nfs/dbraw/zinc/39/30/69/323393069.db2.gz VBIZJWADLGQJFS-HZPDHXFCSA-N 2 2 304.482 3.207 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695979 323393074 /nfs/dbraw/zinc/39/30/74/323393074.db2.gz VBIZJWADLGQJFS-HZPDHXFCSA-N 2 2 304.482 3.207 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695959 323393382 /nfs/dbraw/zinc/39/33/82/323393382.db2.gz VBIZJWADLGQJFS-JKSUJKDBSA-N 2 2 304.482 3.207 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695959 323393384 /nfs/dbraw/zinc/39/33/84/323393384.db2.gz VBIZJWADLGQJFS-JKSUJKDBSA-N 2 2 304.482 3.207 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCC[C@@H]3C)c2cc1C ZINC000193511927 323466382 /nfs/dbraw/zinc/46/63/82/323466382.db2.gz RDDPZRVXJLDPRR-XKQJLSEDSA-N 2 2 315.461 3.182 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(Br)ccc1Cl)C[NH+](C)C ZINC000379850624 323610886 /nfs/dbraw/zinc/61/08/86/323610886.db2.gz DSBMQQSQWPNUNV-JTQLQIEISA-N 2 2 319.674 3.390 20 0 DGADLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578314286 323716227 /nfs/dbraw/zinc/71/62/27/323716227.db2.gz HEROELJAYAJTTO-ARFHVFGLSA-N 2 2 318.852 3.022 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000580531696 324008960 /nfs/dbraw/zinc/00/89/60/324008960.db2.gz NWHOAAFGUXRZQP-UHFFFAOYSA-N 2 2 324.428 3.101 20 0 DGADLP C[C@@H](CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963436 324058846 /nfs/dbraw/zinc/05/88/46/324058846.db2.gz RIJUDFDELHUFPI-ICSRJNTNSA-N 2 2 316.489 3.367 20 0 DGADLP C[C@@H](CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000580963436 324058847 /nfs/dbraw/zinc/05/88/47/324058847.db2.gz RIJUDFDELHUFPI-ICSRJNTNSA-N 2 2 316.489 3.367 20 0 DGADLP Cc1noc(C[C@@H]([NH2+]CCc2cc[nH+]cc2C)c2ccccc2)n1 ZINC000581187593 324084874 /nfs/dbraw/zinc/08/48/74/324084874.db2.gz DFEBSDAKQBBPBR-GOSISDBHSA-N 2 2 322.412 3.198 20 0 DGADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](CC2CC2)CC1 ZINC000581858237 324160425 /nfs/dbraw/zinc/16/04/25/324160425.db2.gz IOZANDVGKKJOEP-UHFFFAOYSA-N 2 2 317.477 3.337 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070743 324186433 /nfs/dbraw/zinc/18/64/33/324186433.db2.gz WLQQWFJWLRLSNG-RDJZCZTQSA-N 2 2 323.440 3.104 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000582070743 324186435 /nfs/dbraw/zinc/18/64/35/324186435.db2.gz WLQQWFJWLRLSNG-RDJZCZTQSA-N 2 2 323.440 3.104 20 0 DGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000582112546 324190542 /nfs/dbraw/zinc/19/05/42/324190542.db2.gz FEVHZJNSZJTFBI-GOSISDBHSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000582112546 324190547 /nfs/dbraw/zinc/19/05/47/324190547.db2.gz FEVHZJNSZJTFBI-GOSISDBHSA-N 2 2 308.510 3.390 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000582132504 324194547 /nfs/dbraw/zinc/19/45/47/324194547.db2.gz OSIBOOWBNLEPMW-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582586588 324248566 /nfs/dbraw/zinc/24/85/66/324248566.db2.gz SMKCDXYCVCAKPN-MIFYACCESA-N 2 2 301.434 3.280 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000582616741 324254358 /nfs/dbraw/zinc/25/43/58/324254358.db2.gz QBZAVRONIZKJGW-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000582616741 324254361 /nfs/dbraw/zinc/25/43/61/324254361.db2.gz QBZAVRONIZKJGW-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000584301745 332231105 /nfs/dbraw/zinc/23/11/05/332231105.db2.gz COHDPSXWYIPQSW-HXUWFJFHSA-N 2 2 316.489 3.497 20 0 DGADLP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000584301745 332231106 /nfs/dbraw/zinc/23/11/06/332231106.db2.gz COHDPSXWYIPQSW-HXUWFJFHSA-N 2 2 316.489 3.497 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1Oc1cccnc1 ZINC000415030061 533720794 /nfs/dbraw/zinc/72/07/94/533720794.db2.gz BRNYFDDKBMGKIM-GOSISDBHSA-N 2 2 311.429 3.412 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000302685175 533909553 /nfs/dbraw/zinc/90/95/53/533909553.db2.gz YBYHXISIZQVNFP-OAHLLOKOSA-N 2 2 313.445 3.330 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000302685175 533909560 /nfs/dbraw/zinc/90/95/60/533909560.db2.gz YBYHXISIZQVNFP-OAHLLOKOSA-N 2 2 313.445 3.330 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000415137645 533932018 /nfs/dbraw/zinc/93/20/18/533932018.db2.gz YDCLUZGSPRHXSE-ZYHUDNBSSA-N 2 2 317.260 3.419 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000415137645 533932019 /nfs/dbraw/zinc/93/20/19/533932019.db2.gz YDCLUZGSPRHXSE-ZYHUDNBSSA-N 2 2 317.260 3.419 20 0 DGADLP COc1cc(Cn2c[nH+]c(C)c2C)cc(Cn2c[nH+]c(C)c2C)c1 ZINC000292792350 533963478 /nfs/dbraw/zinc/96/34/78/533963478.db2.gz ZXRBRCQOYWVUGC-UHFFFAOYSA-N 2 2 324.428 3.418 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000179816174 533976370 /nfs/dbraw/zinc/97/63/70/533976370.db2.gz DOQGXWKPPWFJNI-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP Cc1cc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000179816174 533976378 /nfs/dbraw/zinc/97/63/78/533976378.db2.gz DOQGXWKPPWFJNI-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578244 534045647 /nfs/dbraw/zinc/04/56/47/534045647.db2.gz WFRVXXAQFYUGMH-NSHDSACASA-N 2 2 314.389 3.203 20 0 DGADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578244 534045651 /nfs/dbraw/zinc/04/56/51/534045651.db2.gz WFRVXXAQFYUGMH-NSHDSACASA-N 2 2 314.389 3.203 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCC(C)CC1 ZINC000442789531 534082675 /nfs/dbraw/zinc/08/26/75/534082675.db2.gz DZVUFPOFEJXRBI-HOTGVXAUSA-N 2 2 311.473 3.345 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026695 534109897 /nfs/dbraw/zinc/10/98/97/534109897.db2.gz UQJWKQIGJQNQSJ-JPLJXNOCSA-N 3 2 315.505 3.177 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026695 534109903 /nfs/dbraw/zinc/10/99/03/534109903.db2.gz UQJWKQIGJQNQSJ-JPLJXNOCSA-N 3 2 315.505 3.177 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026697 534133299 /nfs/dbraw/zinc/13/32/99/534133299.db2.gz UQJWKQIGJQNQSJ-SOAMZJECSA-N 3 2 315.505 3.177 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000415026697 534133305 /nfs/dbraw/zinc/13/33/05/534133305.db2.gz UQJWKQIGJQNQSJ-SOAMZJECSA-N 3 2 315.505 3.177 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o2)cc1 ZINC000430587483 534194414 /nfs/dbraw/zinc/19/44/14/534194414.db2.gz ZQDLBCZOCYDPEZ-MRXNPFEDSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o2)cc1 ZINC000430587483 534194420 /nfs/dbraw/zinc/19/44/20/534194420.db2.gz ZQDLBCZOCYDPEZ-MRXNPFEDSA-N 2 2 301.434 3.455 20 0 DGADLP Brc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000157355275 518219759 /nfs/dbraw/zinc/21/97/59/518219759.db2.gz SQUDVECWBVTHSD-OAHLLOKOSA-N 2 2 323.278 3.367 20 0 DGADLP Brc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000157355275 518219763 /nfs/dbraw/zinc/21/97/63/518219763.db2.gz SQUDVECWBVTHSD-OAHLLOKOSA-N 2 2 323.278 3.367 20 0 DGADLP Brc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157579402 518228341 /nfs/dbraw/zinc/22/83/41/518228341.db2.gz BCLPKZKYASXVOQ-WDEREUQCSA-N 2 2 315.280 3.227 20 0 DGADLP Brc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157579402 518228349 /nfs/dbraw/zinc/22/83/49/518228349.db2.gz BCLPKZKYASXVOQ-WDEREUQCSA-N 2 2 315.280 3.227 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925526 534367357 /nfs/dbraw/zinc/36/73/57/534367357.db2.gz DCEQQJJQOPYWLG-NHYWBVRUSA-N 2 2 319.836 3.473 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000430925526 534367361 /nfs/dbraw/zinc/36/73/61/534367361.db2.gz DCEQQJJQOPYWLG-NHYWBVRUSA-N 2 2 319.836 3.473 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCCCCC1 ZINC000157560690 519795014 /nfs/dbraw/zinc/79/50/14/519795014.db2.gz BOORXVFUFAYKSN-QZTJIDSGSA-N 2 2 306.498 3.152 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000156500980 519909231 /nfs/dbraw/zinc/90/92/31/519909231.db2.gz FWWRXNIPTLIKCQ-RDBSUJKOSA-N 2 2 303.410 3.034 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000156500980 519909234 /nfs/dbraw/zinc/90/92/34/519909234.db2.gz FWWRXNIPTLIKCQ-RDBSUJKOSA-N 2 2 303.410 3.034 20 0 DGADLP Cc1cnc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)s1 ZINC000294929025 534555200 /nfs/dbraw/zinc/55/52/00/534555200.db2.gz BYUNALLVIGAICU-UHFFFAOYSA-N 2 2 300.431 3.061 20 0 DGADLP [NH3+]CC1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCCC1 ZINC000430898846 534586339 /nfs/dbraw/zinc/58/63/39/534586339.db2.gz FKJUDMZRHWHJEY-UHFFFAOYSA-N 2 2 312.417 3.288 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430574144 534639367 /nfs/dbraw/zinc/63/93/67/534639367.db2.gz RUUGAANNHSIYIM-CVEARBPZSA-N 2 2 317.477 3.116 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430574144 534639372 /nfs/dbraw/zinc/63/93/72/534639372.db2.gz RUUGAANNHSIYIM-CVEARBPZSA-N 2 2 317.477 3.116 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)CCn2cccn2)[NH+](C)C)cc1 ZINC000157461389 524048853 /nfs/dbraw/zinc/04/88/53/524048853.db2.gz HVPTZDVEQXBTEC-APWZRJJASA-N 2 2 314.477 3.117 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423233328 534849914 /nfs/dbraw/zinc/84/99/14/534849914.db2.gz DPDXTFIYDOZFOC-UGSOOPFHSA-N 2 2 300.450 3.203 20 0 DGADLP C[C@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@H]1C[N@H+](C)CCO1 ZINC000154823129 525674003 /nfs/dbraw/zinc/67/40/03/525674003.db2.gz KGRVHRUVWROWCY-MEDUHNTESA-N 2 2 305.809 3.019 20 0 DGADLP C[C@H](Nc1cc[nH+]c2ccc(Cl)cc12)[C@H]1C[N@@H+](C)CCO1 ZINC000154823129 525674013 /nfs/dbraw/zinc/67/40/13/525674013.db2.gz KGRVHRUVWROWCY-MEDUHNTESA-N 2 2 305.809 3.019 20 0 DGADLP Brc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000415082079 526643801 /nfs/dbraw/zinc/64/38/01/526643801.db2.gz LRAIIEFTYQHYKF-HUUCEWRRSA-N 2 2 309.251 3.242 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1C ZINC000430571954 527170048 /nfs/dbraw/zinc/17/00/48/527170048.db2.gz DWWYBAJREBZHJH-KZULUSFZSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1C ZINC000430571954 527170054 /nfs/dbraw/zinc/17/00/54/527170054.db2.gz DWWYBAJREBZHJH-KZULUSFZSA-N 2 2 302.462 3.374 20 0 DGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1cccc[nH+]1 ZINC000413542700 527768113 /nfs/dbraw/zinc/76/81/13/527768113.db2.gz YDZSRVHRRAWNIY-QZTJIDSGSA-N 2 2 311.429 3.031 20 0 DGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1cccc[nH+]1 ZINC000413542700 527768118 /nfs/dbraw/zinc/76/81/18/527768118.db2.gz YDZSRVHRRAWNIY-QZTJIDSGSA-N 2 2 311.429 3.031 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000430551024 527942308 /nfs/dbraw/zinc/94/23/08/527942308.db2.gz HKXMRYAFAANLPC-INIZCTEOSA-N 2 2 307.438 3.412 20 0 DGADLP CC(C)C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420905734 527944681 /nfs/dbraw/zinc/94/46/81/527944681.db2.gz RJTMVVRYLZQDEZ-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP CC(C)C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420905734 527944687 /nfs/dbraw/zinc/94/46/87/527944687.db2.gz RJTMVVRYLZQDEZ-UHFFFAOYSA-N 2 2 302.462 3.139 20 0 DGADLP CCC[N@H+](CC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429718138 528023429 /nfs/dbraw/zinc/02/34/29/528023429.db2.gz MZDDCOABGRCYMT-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[N@@H+](CC1CC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429718138 528023433 /nfs/dbraw/zinc/02/34/33/528023433.db2.gz MZDDCOABGRCYMT-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[NH+](CC1CC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429718138 528023435 /nfs/dbraw/zinc/02/34/35/528023435.db2.gz MZDDCOABGRCYMT-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[NH+](CC1CC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429718138 528023439 /nfs/dbraw/zinc/02/34/39/528023439.db2.gz MZDDCOABGRCYMT-FQEVSTJZSA-N 2 2 316.489 3.400 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C[NH3+])C3)n2)cc1 ZINC000430602034 528053113 /nfs/dbraw/zinc/05/31/13/528053113.db2.gz GDFKLNZXPNJPHK-CQSZACIVSA-N 2 2 314.433 3.031 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H](C[NH3+])C3)n2)cc1 ZINC000430602034 528053118 /nfs/dbraw/zinc/05/31/18/528053118.db2.gz GDFKLNZXPNJPHK-CQSZACIVSA-N 2 2 314.433 3.031 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n2)cc1 ZINC000442758985 528053749 /nfs/dbraw/zinc/05/37/49/528053749.db2.gz CIZVKMNJPSOIQS-UONOGXRCSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n2)cc1 ZINC000442758985 528053755 /nfs/dbraw/zinc/05/37/55/528053755.db2.gz CIZVKMNJPSOIQS-UONOGXRCSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)n2)cc1 ZINC000442758986 528054141 /nfs/dbraw/zinc/05/41/41/528054141.db2.gz CIZVKMNJPSOIQS-ZIAGYGMSSA-N 2 2 314.433 3.029 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)n2)cc1 ZINC000442758986 528054146 /nfs/dbraw/zinc/05/41/46/528054146.db2.gz CIZVKMNJPSOIQS-ZIAGYGMSSA-N 2 2 314.433 3.029 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428871937 528204204 /nfs/dbraw/zinc/20/42/04/528204204.db2.gz MKQMUMUIYYVYHG-UHFFFAOYSA-N 2 2 307.438 3.399 20 0 DGADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000432411555 528219544 /nfs/dbraw/zinc/21/95/44/528219544.db2.gz ZDDDDQAHJBFNKU-SJORKVTESA-N 2 2 305.466 3.013 20 0 DGADLP CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccn1 ZINC000432411555 528219549 /nfs/dbraw/zinc/21/95/49/528219549.db2.gz ZDDDDQAHJBFNKU-SJORKVTESA-N 2 2 305.466 3.013 20 0 DGADLP CC(C)[C@@H](O)C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787098 528634872 /nfs/dbraw/zinc/63/48/72/528634872.db2.gz RCTKANNYJJZJQN-RBUKOAKNSA-N 2 2 318.505 3.066 20 0 DGADLP CC(C)[C@@H](O)C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787098 528634878 /nfs/dbraw/zinc/63/48/78/528634878.db2.gz RCTKANNYJJZJQN-RBUKOAKNSA-N 2 2 318.505 3.066 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000317140422 528827265 /nfs/dbraw/zinc/82/72/65/528827265.db2.gz FFWZNFIZZUGSRV-GJZGRUSLSA-N 2 2 300.450 3.019 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000317140422 528827267 /nfs/dbraw/zinc/82/72/67/528827267.db2.gz FFWZNFIZZUGSRV-GJZGRUSLSA-N 2 2 300.450 3.019 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000430584754 528860069 /nfs/dbraw/zinc/86/00/69/528860069.db2.gz ZOTNYYSMYCKLLV-MRXNPFEDSA-N 2 2 307.825 3.458 20 0 DGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C(=O)OC)cc1 ZINC000294928674 529169633 /nfs/dbraw/zinc/16/96/33/529169633.db2.gz XINDJXLSYIEZCV-GOSISDBHSA-N 2 2 312.413 3.460 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486972207 535017638 /nfs/dbraw/zinc/01/76/38/535017638.db2.gz TWOMWHPSCLWTQV-APWZRJJASA-N 2 2 318.530 3.412 20 0 DGADLP CC(C)[C@H](C[NH2+]C[C@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486972207 535017642 /nfs/dbraw/zinc/01/76/42/535017642.db2.gz TWOMWHPSCLWTQV-APWZRJJASA-N 2 2 318.530 3.412 20 0 DGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000449340859 536353804 /nfs/dbraw/zinc/35/38/04/536353804.db2.gz QONJHJPMLWUJBT-AWEZNQCLSA-N 2 2 300.406 3.039 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000472772472 536357106 /nfs/dbraw/zinc/35/71/06/536357106.db2.gz OPTNZQIUDJQTNR-KRWDZBQOSA-N 2 2 321.896 3.336 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000472772472 536357109 /nfs/dbraw/zinc/35/71/09/536357109.db2.gz OPTNZQIUDJQTNR-KRWDZBQOSA-N 2 2 321.896 3.336 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000449480674 536854825 /nfs/dbraw/zinc/85/48/25/536854825.db2.gz PBFKDHZDDBOTTA-QIIPPGSGSA-N 2 2 322.880 3.142 20 0 DGADLP COC[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000449480674 536854832 /nfs/dbraw/zinc/85/48/32/536854832.db2.gz PBFKDHZDDBOTTA-QIIPPGSGSA-N 2 2 322.880 3.142 20 0 DGADLP COc1cccc2c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cccc12 ZINC000449193311 536933339 /nfs/dbraw/zinc/93/33/39/536933339.db2.gz MZTZFPHFRIKAKZ-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cccc2c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)cccc12 ZINC000449193311 536933342 /nfs/dbraw/zinc/93/33/42/536933342.db2.gz MZTZFPHFRIKAKZ-AUUYWEPGSA-N 2 2 310.441 3.421 20 0 DGADLP COc1cccc2c(N[C@@H]3CCn4cc[nH+]c4C3)cc(C)[nH+]c12 ZINC000489942061 536934055 /nfs/dbraw/zinc/93/40/55/536934055.db2.gz YRGPFPDXSLOSBT-CYBMUJFWSA-N 2 2 308.385 3.175 20 0 DGADLP CC(C)(CCO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188092 545824448 /nfs/dbraw/zinc/82/44/48/545824448.db2.gz YFZFCIBLDOFYLN-KRWDZBQOSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(CCO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188092 545824452 /nfs/dbraw/zinc/82/44/52/545824452.db2.gz YFZFCIBLDOFYLN-KRWDZBQOSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187402 545824692 /nfs/dbraw/zinc/82/46/92/545824692.db2.gz WKLXQGCXKMVRLO-FUHWJXTLSA-N 2 2 318.505 3.426 20 0 DGADLP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187402 545824697 /nfs/dbraw/zinc/82/46/97/545824697.db2.gz WKLXQGCXKMVRLO-FUHWJXTLSA-N 2 2 318.505 3.426 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335462 545834318 /nfs/dbraw/zinc/83/43/18/545834318.db2.gz JJMNIDOUORQVGZ-PKOBYXMFSA-N 2 2 302.462 3.466 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C(C)C)cc1 ZINC000091335462 545834322 /nfs/dbraw/zinc/83/43/22/545834322.db2.gz JJMNIDOUORQVGZ-PKOBYXMFSA-N 2 2 302.462 3.466 20 0 DGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151189346 545992144 /nfs/dbraw/zinc/99/21/44/545992144.db2.gz XDKJHGXIRICERE-ZDUSSCGKSA-N 2 2 303.356 3.243 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159325081 546052317 /nfs/dbraw/zinc/05/23/17/546052317.db2.gz DMSJNWVLTXPVCH-FZMZJTMJSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159325081 546052319 /nfs/dbraw/zinc/05/23/19/546052319.db2.gz DMSJNWVLTXPVCH-FZMZJTMJSA-N 2 2 304.331 3.404 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000163633778 546083392 /nfs/dbraw/zinc/08/33/92/546083392.db2.gz JGEDQWBZUDSPRZ-INIZCTEOSA-N 2 2 304.478 3.053 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000163754807 546084362 /nfs/dbraw/zinc/08/43/62/546084362.db2.gz OZHNHDNCLJOJCP-FQEVSTJZSA-N 2 2 316.489 3.017 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](CCc2ccccc2)C(C)C)CC1 ZINC000163722176 546085052 /nfs/dbraw/zinc/08/50/52/546085052.db2.gz HLJKPJIBUOBJBS-HXUWFJFHSA-N 2 2 318.505 3.344 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000167882836 546097781 /nfs/dbraw/zinc/09/77/81/546097781.db2.gz QKXZJRHESULOFC-IAGOWNOFSA-N 3 2 317.521 3.436 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000180166052 546142864 /nfs/dbraw/zinc/14/28/64/546142864.db2.gz GUUNGZKADBGZOK-CYBMUJFWSA-N 2 2 316.424 3.172 20 0 DGADLP [NH3+]C1(CC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCC1 ZINC000237911136 546288583 /nfs/dbraw/zinc/28/85/83/546288583.db2.gz YBDYRFDRQXUHDF-UHFFFAOYSA-N 2 2 324.428 3.096 20 0 DGADLP CC[C@H]1C[N@H+](Cc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000251885304 546330976 /nfs/dbraw/zinc/33/09/76/546330976.db2.gz VNSXSLJBXDTTAG-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@H]1[NH3+] ZINC000251885304 546330981 /nfs/dbraw/zinc/33/09/81/546330981.db2.gz VNSXSLJBXDTTAG-IINYFYTJSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)[C@H]1C[NH3+] ZINC000252690329 546332062 /nfs/dbraw/zinc/33/20/62/546332062.db2.gz UQUZNZKPHGLJFY-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)[C@H]1C[NH3+] ZINC000252690329 546332068 /nfs/dbraw/zinc/33/20/68/546332068.db2.gz UQUZNZKPHGLJFY-LRDDRELGSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H](C[NH2+]Cc1cscc1Br)Cn1cc[nH+]c1 ZINC000285419029 546396959 /nfs/dbraw/zinc/39/69/59/546396959.db2.gz JODPNSUJLAWHGO-SNVBAGLBSA-N 2 2 314.252 3.133 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2CCSCC2)C[N@@H+]1Cc1ccccc1 ZINC000309949219 546451968 /nfs/dbraw/zinc/45/19/68/546451968.db2.gz MEJOUPFAEHAHCX-MAUKXSAKSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC2CCSCC2)C[N@H+]1Cc1ccccc1 ZINC000309949219 546451970 /nfs/dbraw/zinc/45/19/70/546451970.db2.gz MEJOUPFAEHAHCX-MAUKXSAKSA-N 2 2 304.503 3.382 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000312592654 546453362 /nfs/dbraw/zinc/45/33/62/546453362.db2.gz RAFZXQOLTKSCGV-DGCLKSJQSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000312592654 546453365 /nfs/dbraw/zinc/45/33/65/546453365.db2.gz RAFZXQOLTKSCGV-DGCLKSJQSA-N 2 2 319.276 3.345 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000324235111 546478622 /nfs/dbraw/zinc/47/86/22/546478622.db2.gz HUCDHGVZCYZTTF-IBGZPJMESA-N 2 2 312.457 3.067 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000324235111 546478628 /nfs/dbraw/zinc/47/86/28/546478628.db2.gz HUCDHGVZCYZTTF-IBGZPJMESA-N 2 2 312.457 3.067 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000347210658 546583270 /nfs/dbraw/zinc/58/32/70/546583270.db2.gz XSCUNEBQJRSXLD-WMZOPIPTSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000347210658 546583275 /nfs/dbraw/zinc/58/32/75/546583275.db2.gz XSCUNEBQJRSXLD-WMZOPIPTSA-N 2 2 314.473 3.341 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[C@@H]3C3CC3)[nH+]c2)CC1 ZINC000348383099 546588672 /nfs/dbraw/zinc/58/86/72/546588672.db2.gz IPDLAQRBYUDLEM-QZTJIDSGSA-N 2 2 314.477 3.213 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@](C)(CO)Cc2ccccc2)c[nH+]1 ZINC000355136061 546677695 /nfs/dbraw/zinc/67/76/95/546677695.db2.gz PMRIQZKWXRJANS-HXUWFJFHSA-N 2 2 312.457 3.154 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232426 546751853 /nfs/dbraw/zinc/75/18/53/546751853.db2.gz IUZCKGKMQLYFQQ-HOTGVXAUSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232426 546751858 /nfs/dbraw/zinc/75/18/58/546751858.db2.gz IUZCKGKMQLYFQQ-HOTGVXAUSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232428 546752028 /nfs/dbraw/zinc/75/20/28/546752028.db2.gz IUZCKGKMQLYFQQ-JKSUJKDBSA-N 2 2 306.450 3.229 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)C1 ZINC000389232428 546752030 /nfs/dbraw/zinc/75/20/30/546752030.db2.gz IUZCKGKMQLYFQQ-JKSUJKDBSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401063328 546764940 /nfs/dbraw/zinc/76/49/40/546764940.db2.gz VTFUNRONPSICDK-FQEVSTJZSA-N 2 2 323.484 3.495 20 0 DGADLP Cc1cnc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000401063328 546764947 /nfs/dbraw/zinc/76/49/47/546764947.db2.gz VTFUNRONPSICDK-FQEVSTJZSA-N 2 2 323.484 3.495 20 0 DGADLP Cc1cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000436438726 546823576 /nfs/dbraw/zinc/82/35/76/546823576.db2.gz YKJJFYXLTJDSMT-CVEARBPZSA-N 2 2 310.445 3.193 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000667119196 547096494 /nfs/dbraw/zinc/09/64/94/547096494.db2.gz LNYBPNRJFQCNHS-HNNXBMFYSA-N 2 2 318.465 3.249 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000667119196 547096497 /nfs/dbraw/zinc/09/64/97/547096497.db2.gz LNYBPNRJFQCNHS-HNNXBMFYSA-N 2 2 318.465 3.249 20 0 DGADLP C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667535150 547214725 /nfs/dbraw/zinc/21/47/25/547214725.db2.gz ZRLBIGYYUAQUCU-OAHLLOKOSA-N 2 2 320.396 3.223 20 0 DGADLP C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667535150 547214730 /nfs/dbraw/zinc/21/47/30/547214730.db2.gz ZRLBIGYYUAQUCU-OAHLLOKOSA-N 2 2 320.396 3.223 20 0 DGADLP CCCn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000667560775 547226443 /nfs/dbraw/zinc/22/64/43/547226443.db2.gz BYMYUJQCPDKZHY-ROUUACIJSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000667560775 547226447 /nfs/dbraw/zinc/22/64/47/547226447.db2.gz BYMYUJQCPDKZHY-ROUUACIJSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000667560775 547226450 /nfs/dbraw/zinc/22/64/50/547226450.db2.gz BYMYUJQCPDKZHY-ROUUACIJSA-N 2 2 318.509 3.380 20 0 DGADLP CCCn1nccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000667560775 547226453 /nfs/dbraw/zinc/22/64/53/547226453.db2.gz BYMYUJQCPDKZHY-ROUUACIJSA-N 2 2 318.509 3.380 20 0 DGADLP COc1cc(C[N@H+](C)Cc2c[nH+]c3n2CCC3)ccc1SC ZINC000667565221 547228791 /nfs/dbraw/zinc/22/87/91/547228791.db2.gz NKDLMIMGBTXVQC-UHFFFAOYSA-N 2 2 317.458 3.192 20 0 DGADLP COc1cc(C[N@@H+](C)Cc2c[nH+]c3n2CCC3)ccc1SC ZINC000667565221 547228796 /nfs/dbraw/zinc/22/87/96/547228796.db2.gz NKDLMIMGBTXVQC-UHFFFAOYSA-N 2 2 317.458 3.192 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000667567008 547229109 /nfs/dbraw/zinc/22/91/09/547229109.db2.gz NLUWXBICIULWFS-MJGOQNOKSA-N 2 2 313.445 3.328 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000667567008 547229113 /nfs/dbraw/zinc/22/91/13/547229113.db2.gz NLUWXBICIULWFS-MJGOQNOKSA-N 2 2 313.445 3.328 20 0 DGADLP Fc1ccc(CC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667573216 547231970 /nfs/dbraw/zinc/23/19/70/547231970.db2.gz XLULFNWVOUBPLO-UHFFFAOYSA-N 2 2 313.420 3.423 20 0 DGADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667630016 547250591 /nfs/dbraw/zinc/25/05/91/547250591.db2.gz UVXPOXNLJOTMGX-CQSZACIVSA-N 2 2 302.447 3.104 20 0 DGADLP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c[nH+]c3n1CCC3)CCC2 ZINC000667630016 547250595 /nfs/dbraw/zinc/25/05/95/547250595.db2.gz UVXPOXNLJOTMGX-CQSZACIVSA-N 2 2 302.447 3.104 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)n1C ZINC000667657243 547261341 /nfs/dbraw/zinc/26/13/41/547261341.db2.gz DPJFDKQODBWSQF-GUYCJALGSA-N 2 2 301.459 3.407 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)n1C ZINC000667657243 547261344 /nfs/dbraw/zinc/26/13/44/547261344.db2.gz DPJFDKQODBWSQF-GUYCJALGSA-N 2 2 301.459 3.407 20 0 DGADLP O=C(C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000667670536 547268942 /nfs/dbraw/zinc/26/89/42/547268942.db2.gz RVUZIVZVGGKBBP-INIZCTEOSA-N 2 2 309.413 3.067 20 0 DGADLP O=C(C[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000667670536 547268945 /nfs/dbraw/zinc/26/89/45/547268945.db2.gz RVUZIVZVGGKBBP-INIZCTEOSA-N 2 2 309.413 3.067 20 0 DGADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667687709 547274410 /nfs/dbraw/zinc/27/44/10/547274410.db2.gz VFPYGCMOKIBMOB-INIZCTEOSA-N 2 2 323.444 3.051 20 0 DGADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667687709 547274411 /nfs/dbraw/zinc/27/44/11/547274411.db2.gz VFPYGCMOKIBMOB-INIZCTEOSA-N 2 2 323.444 3.051 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705580 547281367 /nfs/dbraw/zinc/28/13/67/547281367.db2.gz GXZFBFLIOQSVQI-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705580 547281373 /nfs/dbraw/zinc/28/13/73/547281373.db2.gz GXZFBFLIOQSVQI-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705580 547281379 /nfs/dbraw/zinc/28/13/79/547281379.db2.gz GXZFBFLIOQSVQI-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OC4CC4)c3F)CC[C@H]21 ZINC000667705580 547281383 /nfs/dbraw/zinc/28/13/83/547281383.db2.gz GXZFBFLIOQSVQI-WMLDXEAASA-N 2 2 318.436 3.283 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1C ZINC000667983864 547354476 /nfs/dbraw/zinc/35/44/76/547354476.db2.gz CJQOOCUXNUQJGB-FUHWJXTLSA-N 2 2 317.408 3.220 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1C ZINC000667983864 547354479 /nfs/dbraw/zinc/35/44/79/547354479.db2.gz CJQOOCUXNUQJGB-FUHWJXTLSA-N 2 2 317.408 3.220 20 0 DGADLP CC1(C)C[N@H+](Cc2c[nH+]c3n2CCC3)CC[C@H]1C(F)(F)F ZINC000668053306 547370540 /nfs/dbraw/zinc/37/05/40/547370540.db2.gz QKFNEVSZSLLEGS-GFCCVEGCSA-N 2 2 301.356 3.240 20 0 DGADLP CC1(C)C[N@@H+](Cc2c[nH+]c3n2CCC3)CC[C@H]1C(F)(F)F ZINC000668053306 547370544 /nfs/dbraw/zinc/37/05/44/547370544.db2.gz QKFNEVSZSLLEGS-GFCCVEGCSA-N 2 2 301.356 3.240 20 0 DGADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccnc1 ZINC000668184433 547407533 /nfs/dbraw/zinc/40/75/33/547407533.db2.gz FPLSAIKRUYDLJV-GOSISDBHSA-N 2 2 319.412 3.245 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccnc1 ZINC000668184433 547407538 /nfs/dbraw/zinc/40/75/38/547407538.db2.gz FPLSAIKRUYDLJV-GOSISDBHSA-N 2 2 319.412 3.245 20 0 DGADLP Cc1ncsc1-c1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668539498 547475239 /nfs/dbraw/zinc/47/52/39/547475239.db2.gz YBDHCNWBUKPGGO-UHFFFAOYSA-N 2 2 301.459 3.112 20 0 DGADLP Cc1ncsc1-c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668539498 547475242 /nfs/dbraw/zinc/47/52/42/547475242.db2.gz YBDHCNWBUKPGGO-UHFFFAOYSA-N 2 2 301.459 3.112 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000668793459 547543567 /nfs/dbraw/zinc/54/35/67/547543567.db2.gz BZBQZLHZNWXNEI-UHFFFAOYSA-N 2 2 318.490 3.101 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000669418423 547635935 /nfs/dbraw/zinc/63/59/35/547635935.db2.gz WRKFPNHQAIYDJT-OALUTQOASA-N 3 2 321.553 3.349 20 0 DGADLP COCCC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614730 547661458 /nfs/dbraw/zinc/66/14/58/547661458.db2.gz LTBUUPIPJMZCFX-RBUKOAKNSA-N 2 2 320.452 3.367 20 0 DGADLP COCCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000669614730 547661460 /nfs/dbraw/zinc/66/14/60/547661460.db2.gz LTBUUPIPJMZCFX-RBUKOAKNSA-N 2 2 320.452 3.367 20 0 DGADLP COc1cccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1F ZINC000669679797 547670469 /nfs/dbraw/zinc/67/04/69/547670469.db2.gz VURHHNSTFYTONH-GJZGRUSLSA-N 2 2 308.441 3.292 20 0 DGADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986371 547767581 /nfs/dbraw/zinc/76/75/81/547767581.db2.gz CXQAJOHWHVOJCJ-HOTGVXAUSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986371 547767584 /nfs/dbraw/zinc/76/75/84/547767584.db2.gz CXQAJOHWHVOJCJ-HOTGVXAUSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cn2ccccc2[nH+]1 ZINC000671119346 547770433 /nfs/dbraw/zinc/77/04/33/547770433.db2.gz QXBYFKJVHMZBCX-ZDUSSCGKSA-N 2 2 304.357 3.088 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000672620857 547896717 /nfs/dbraw/zinc/89/67/17/547896717.db2.gz QJCFEZABOHBTQZ-BBRMVZONSA-N 2 2 312.404 3.465 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673436059 547960601 /nfs/dbraw/zinc/96/06/01/547960601.db2.gz OALYELAEHFQZRQ-UHFFFAOYSA-N 2 2 320.396 3.182 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C(F)F)CCCC1 ZINC000674135364 548041711 /nfs/dbraw/zinc/04/17/11/548041711.db2.gz LMHNBFWJLDCPIW-UHFFFAOYSA-N 2 2 306.360 3.243 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765570 548266147 /nfs/dbraw/zinc/26/61/47/548266147.db2.gz LLUDCCIFUPMBSC-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000675765570 548266152 /nfs/dbraw/zinc/26/61/52/548266152.db2.gz LLUDCCIFUPMBSC-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000675833558 548280189 /nfs/dbraw/zinc/28/01/89/548280189.db2.gz LYVPOHOYYYXIKL-RKVPGOIHSA-N 2 2 302.462 3.261 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000675833558 548280193 /nfs/dbraw/zinc/28/01/93/548280193.db2.gz LYVPOHOYYYXIKL-RKVPGOIHSA-N 2 2 302.462 3.261 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)cs1 ZINC000676488498 548368242 /nfs/dbraw/zinc/36/82/42/548368242.db2.gz BWLBKXJTSWRIOD-GFCCVEGCSA-N 2 2 300.431 3.301 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000676496078 548369968 /nfs/dbraw/zinc/36/99/68/548369968.db2.gz FDJDVCBSEAQEPE-MRXNPFEDSA-N 2 2 314.477 3.031 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000676496078 548369974 /nfs/dbraw/zinc/36/99/74/548369974.db2.gz FDJDVCBSEAQEPE-MRXNPFEDSA-N 2 2 314.477 3.031 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000676572238 548383142 /nfs/dbraw/zinc/38/31/42/548383142.db2.gz RPOCWEGZSWFTTA-LSDHHAIUSA-N 2 2 303.381 3.059 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000677153287 548460815 /nfs/dbraw/zinc/46/08/15/548460815.db2.gz OMLQFMGGADQBTG-CQSZACIVSA-N 2 2 303.381 3.059 20 0 DGADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000677242029 548475115 /nfs/dbraw/zinc/47/51/15/548475115.db2.gz WIRGCIXGDLERSE-IHPCNDPISA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000677242029 548475121 /nfs/dbraw/zinc/47/51/21/548475121.db2.gz WIRGCIXGDLERSE-IHPCNDPISA-N 2 2 314.473 3.228 20 0 DGADLP CCC(O)(CC)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749553 548549383 /nfs/dbraw/zinc/54/93/83/548549383.db2.gz NEEBWDXJDTWJAY-KRWDZBQOSA-N 2 2 304.478 3.180 20 0 DGADLP CCC(O)(CC)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749553 548549386 /nfs/dbraw/zinc/54/93/86/548549386.db2.gz NEEBWDXJDTWJAY-KRWDZBQOSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccn1 ZINC000678029036 548595759 /nfs/dbraw/zinc/59/57/59/548595759.db2.gz DVDOVTCGAHZSKI-PKOBYXMFSA-N 2 2 317.477 3.156 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)c1 ZINC000678185224 548634812 /nfs/dbraw/zinc/63/48/12/548634812.db2.gz XIYALUTYYDOZNU-QGZVFWFLSA-N 2 2 323.440 3.078 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000678235169 548648498 /nfs/dbraw/zinc/64/84/98/548648498.db2.gz DNDYNCYKTPYYFI-HNNXBMFYSA-N 2 2 311.385 3.475 20 0 DGADLP COc1ccc2oc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000678235169 548648502 /nfs/dbraw/zinc/64/85/02/548648502.db2.gz DNDYNCYKTPYYFI-HNNXBMFYSA-N 2 2 311.385 3.475 20 0 DGADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2O1 ZINC000678235667 548648573 /nfs/dbraw/zinc/64/85/73/548648573.db2.gz XRHARVAVDPOTOD-QGZVFWFLSA-N 2 2 311.429 3.434 20 0 DGADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2O1 ZINC000678235667 548648577 /nfs/dbraw/zinc/64/85/77/548648577.db2.gz XRHARVAVDPOTOD-QGZVFWFLSA-N 2 2 311.429 3.434 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000678235170 548649448 /nfs/dbraw/zinc/64/94/48/548649448.db2.gz DNDYNCYKTPYYFI-OAHLLOKOSA-N 2 2 311.385 3.475 20 0 DGADLP COc1ccc2oc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000678235170 548649451 /nfs/dbraw/zinc/64/94/51/548649451.db2.gz DNDYNCYKTPYYFI-OAHLLOKOSA-N 2 2 311.385 3.475 20 0 DGADLP Fc1ccc2cc[nH+]c(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000678313201 548678292 /nfs/dbraw/zinc/67/82/92/548678292.db2.gz RHIKLAKVSRQYER-MRXNPFEDSA-N 2 2 315.392 3.039 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCOc2ccccc21 ZINC000678334434 548681581 /nfs/dbraw/zinc/68/15/81/548681581.db2.gz MOOQMZHYQYKPPR-BBWFWOEESA-N 2 2 300.446 3.111 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCOc2ccccc21 ZINC000678334434 548681582 /nfs/dbraw/zinc/68/15/82/548681582.db2.gz MOOQMZHYQYKPPR-BBWFWOEESA-N 2 2 300.446 3.111 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCOc2ccccc21 ZINC000678334434 548681585 /nfs/dbraw/zinc/68/15/85/548681585.db2.gz MOOQMZHYQYKPPR-BBWFWOEESA-N 2 2 300.446 3.111 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCOc2ccccc21 ZINC000678334434 548681587 /nfs/dbraw/zinc/68/15/87/548681587.db2.gz MOOQMZHYQYKPPR-BBWFWOEESA-N 2 2 300.446 3.111 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361901 548688495 /nfs/dbraw/zinc/68/84/95/548688495.db2.gz NXIMXKCKLPRJSG-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC000678361901 548688499 /nfs/dbraw/zinc/68/84/99/548688499.db2.gz NXIMXKCKLPRJSG-NEWSRXKRSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)n1 ZINC000678413077 548696399 /nfs/dbraw/zinc/69/63/99/548696399.db2.gz DXFFCPUKWCKQRS-QGZVFWFLSA-N 2 2 324.472 3.409 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2nnc(-c3ccccc3)s2)CC1 ZINC000678773124 548761393 /nfs/dbraw/zinc/76/13/93/548761393.db2.gz UCOHPWCVEGOYPW-UHFFFAOYSA-N 2 2 316.474 3.169 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000678774752 548762458 /nfs/dbraw/zinc/76/24/58/548762458.db2.gz PLMBRXLXDKFFRV-QGZVFWFLSA-N 2 2 312.404 3.116 20 0 DGADLP Fc1c[nH+]ccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000678789285 548763954 /nfs/dbraw/zinc/76/39/54/548763954.db2.gz WUNZUVVUSIPVIR-UHFFFAOYSA-N 2 2 319.811 3.373 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)C12CCC2 ZINC000678926835 548794042 /nfs/dbraw/zinc/79/40/42/548794042.db2.gz MIZCVBFMEXRWPV-IRXDYDNUSA-N 2 2 313.445 3.123 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000678929806 548795437 /nfs/dbraw/zinc/79/54/37/548795437.db2.gz NZVBICQEKKVKAR-RLLQIKCJSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000678929806 548795442 /nfs/dbraw/zinc/79/54/42/548795442.db2.gz NZVBICQEKKVKAR-RLLQIKCJSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)CC([NH2+]Cc2nc3c(s2)CCCC3)CC(C)(C)[NH2+]1 ZINC000678946649 548799244 /nfs/dbraw/zinc/79/92/44/548799244.db2.gz QHUSAGFAPRPGLG-UHFFFAOYSA-N 2 2 307.507 3.421 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994021 548809149 /nfs/dbraw/zinc/80/91/49/548809149.db2.gz ZTLPGFYAIJOTLU-UKRRQHHQSA-N 2 2 307.507 3.184 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994021 548809154 /nfs/dbraw/zinc/80/91/54/548809154.db2.gz ZTLPGFYAIJOTLU-UKRRQHHQSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994021 548809158 /nfs/dbraw/zinc/80/91/58/548809158.db2.gz ZTLPGFYAIJOTLU-UKRRQHHQSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000678994021 548809164 /nfs/dbraw/zinc/80/91/64/548809164.db2.gz ZTLPGFYAIJOTLU-UKRRQHHQSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)(C)O ZINC000679014848 548812689 /nfs/dbraw/zinc/81/26/89/548812689.db2.gz BIZGOSUVTOUYCH-CYBMUJFWSA-N 2 2 310.869 3.053 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000679718303 548943899 /nfs/dbraw/zinc/94/38/99/548943899.db2.gz AORVBDDLYNSQTQ-GXTWGEPZSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000679718303 548943903 /nfs/dbraw/zinc/94/39/03/548943903.db2.gz AORVBDDLYNSQTQ-GXTWGEPZSA-N 2 2 303.837 3.461 20 0 DGADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000679723483 548944682 /nfs/dbraw/zinc/94/46/82/548944682.db2.gz LQQKMYWSXLUMGK-WDSOQIARSA-N 2 2 311.429 3.065 20 0 DGADLP c1nc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)co1 ZINC000679723483 548944685 /nfs/dbraw/zinc/94/46/85/548944685.db2.gz LQQKMYWSXLUMGK-WDSOQIARSA-N 2 2 311.429 3.065 20 0 DGADLP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679721738 548944794 /nfs/dbraw/zinc/94/47/94/548944794.db2.gz QPMBUSXNGJWVHK-UHOSZYNNSA-N 2 2 311.429 3.065 20 0 DGADLP c1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679721738 548944797 /nfs/dbraw/zinc/94/47/97/548944797.db2.gz QPMBUSXNGJWVHK-UHOSZYNNSA-N 2 2 311.429 3.065 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679721737 548945032 /nfs/dbraw/zinc/94/50/32/548945032.db2.gz QPMBUSXNGJWVHK-QXAKKESOSA-N 2 2 311.429 3.065 20 0 DGADLP c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000679721737 548945034 /nfs/dbraw/zinc/94/50/34/548945034.db2.gz QPMBUSXNGJWVHK-QXAKKESOSA-N 2 2 311.429 3.065 20 0 DGADLP Cc1nc(NCC[NH+]2Cc3ccccc3C2)c2c([nH+]1)CCCC2 ZINC000679836529 548954996 /nfs/dbraw/zinc/95/49/96/548954996.db2.gz LSKBJTOVRJXVTJ-UHFFFAOYSA-N 2 2 308.429 3.092 20 0 DGADLP CCc1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)nc(C)[nH+]1 ZINC000679838866 548955945 /nfs/dbraw/zinc/95/59/45/548955945.db2.gz VZFISHMRIPHXRF-KRWDZBQOSA-N 2 2 321.428 3.477 20 0 DGADLP Clc1cc2c(c(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c1)OCC2 ZINC000679986222 548974316 /nfs/dbraw/zinc/97/43/16/548974316.db2.gz YPYWHXGGTSULLE-INIZCTEOSA-N 2 2 317.820 3.309 20 0 DGADLP Clc1cc2c(c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c1)OCC2 ZINC000679986222 548974320 /nfs/dbraw/zinc/97/43/20/548974320.db2.gz YPYWHXGGTSULLE-INIZCTEOSA-N 2 2 317.820 3.309 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000680067062 548991635 /nfs/dbraw/zinc/99/16/35/548991635.db2.gz AXMYPIVAGDXYOM-IPMKNSEASA-N 2 2 322.456 3.498 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000680067062 548991638 /nfs/dbraw/zinc/99/16/38/548991638.db2.gz AXMYPIVAGDXYOM-IPMKNSEASA-N 2 2 322.456 3.498 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000680067056 548992090 /nfs/dbraw/zinc/99/20/90/548992090.db2.gz AXMYPIVAGDXYOM-CEXWTWQISA-N 2 2 322.456 3.498 20 0 DGADLP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000680067056 548992096 /nfs/dbraw/zinc/99/20/96/548992096.db2.gz AXMYPIVAGDXYOM-CEXWTWQISA-N 2 2 322.456 3.498 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)c2)c[nH+]1 ZINC000680334613 549030773 /nfs/dbraw/zinc/03/07/73/549030773.db2.gz MBSOSBBJYCHWPY-INIZCTEOSA-N 2 2 324.453 3.393 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)c2)c[nH+]1 ZINC000680334613 549030778 /nfs/dbraw/zinc/03/07/78/549030778.db2.gz MBSOSBBJYCHWPY-INIZCTEOSA-N 2 2 324.453 3.393 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885759 549121374 /nfs/dbraw/zinc/12/13/74/549121374.db2.gz JXUJNZGKPRTOKW-MGPUTAFESA-N 2 2 320.440 3.173 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000680885759 549121378 /nfs/dbraw/zinc/12/13/78/549121378.db2.gz JXUJNZGKPRTOKW-MGPUTAFESA-N 2 2 320.440 3.173 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1nc(C(F)(F)F)cs1 ZINC000681054172 549153461 /nfs/dbraw/zinc/15/34/61/549153461.db2.gz MDHSAQJNOAEZJP-BDAKNGLRSA-N 2 2 316.352 3.024 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000681109066 549162146 /nfs/dbraw/zinc/16/21/46/549162146.db2.gz SHEJOHOSFMEQPE-XLIONFOSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H](CCC1CC1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000681109066 549162147 /nfs/dbraw/zinc/16/21/47/549162147.db2.gz SHEJOHOSFMEQPE-XLIONFOSSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1ncc([C@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)n1 ZINC000681657106 549236650 /nfs/dbraw/zinc/23/66/50/549236650.db2.gz VFZAIFNSULMVTA-HNNXBMFYSA-N 2 2 302.466 3.105 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000681976450 549270944 /nfs/dbraw/zinc/27/09/44/549270944.db2.gz GZBPHJLGJGXSIV-QZTJIDSGSA-N 2 2 302.462 3.023 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000681976850 549271124 /nfs/dbraw/zinc/27/11/24/549271124.db2.gz NBEYRERHFINXAQ-MOPGFXCFSA-N 2 2 316.489 3.098 20 0 DGADLP CC(C)(C[NH2+]Cc1ncccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000682953555 549403478 /nfs/dbraw/zinc/40/34/78/549403478.db2.gz LBOOEUKHWGENIS-UHFFFAOYSA-N 2 2 315.383 3.312 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000683009739 549414071 /nfs/dbraw/zinc/41/40/71/549414071.db2.gz RKHCNDRXWQVCDX-HXUWFJFHSA-N 2 2 321.424 3.178 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000683161855 549441965 /nfs/dbraw/zinc/44/19/65/549441965.db2.gz GXUOTOBCXBPBGI-ZFWWWQNUSA-N 2 2 304.463 3.375 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000683161855 549441968 /nfs/dbraw/zinc/44/19/68/549441968.db2.gz GXUOTOBCXBPBGI-ZFWWWQNUSA-N 2 2 304.463 3.375 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345466 549471774 /nfs/dbraw/zinc/47/17/74/549471774.db2.gz COAGRKRZYXGTLO-NJAFHUGGSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000683345466 549471778 /nfs/dbraw/zinc/47/17/78/549471778.db2.gz COAGRKRZYXGTLO-NJAFHUGGSA-N 2 2 302.462 3.054 20 0 DGADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000683705329 549522798 /nfs/dbraw/zinc/52/27/98/549522798.db2.gz RHHIOAQCYQSVJG-CQSZACIVSA-N 2 2 310.844 3.486 20 0 DGADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000683705329 549522800 /nfs/dbraw/zinc/52/28/00/549522800.db2.gz RHHIOAQCYQSVJG-CQSZACIVSA-N 2 2 310.844 3.486 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684358964 549616774 /nfs/dbraw/zinc/61/67/74/549616774.db2.gz XHNZXDGNHTWUMJ-QGZVFWFLSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684358964 549616777 /nfs/dbraw/zinc/61/67/77/549616777.db2.gz XHNZXDGNHTWUMJ-QGZVFWFLSA-N 2 2 321.428 3.214 20 0 DGADLP COC1CC[NH+](CC[NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000684390206 549626452 /nfs/dbraw/zinc/62/64/52/549626452.db2.gz AFPGWKJHQWDKFI-IBGZPJMESA-N 2 2 304.478 3.127 20 0 DGADLP Cc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(N2CCCC2)n1 ZINC000684392914 549627446 /nfs/dbraw/zinc/62/74/46/549627446.db2.gz AHDNBYHAEYGAPV-UHFFFAOYSA-N 2 2 324.472 3.416 20 0 DGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCc3cccnc31)C2 ZINC000684954510 549724842 /nfs/dbraw/zinc/72/48/42/549724842.db2.gz VNQNWIBVMKKAMY-HXUWFJFHSA-N 2 2 321.468 3.497 20 0 DGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCc3cccnc31)C2 ZINC000684954510 549724845 /nfs/dbraw/zinc/72/48/45/549724845.db2.gz VNQNWIBVMKKAMY-HXUWFJFHSA-N 2 2 321.468 3.497 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421711 549756637 /nfs/dbraw/zinc/75/66/37/549756637.db2.gz PGCFWRJXINADNT-IUODEOHRSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000685421711 549756638 /nfs/dbraw/zinc/75/66/38/549756638.db2.gz PGCFWRJXINADNT-IUODEOHRSA-N 2 2 300.368 3.493 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c[nH+]1 ZINC000685464837 549766618 /nfs/dbraw/zinc/76/66/18/549766618.db2.gz PPQUJXWONZVACG-RTBURBONSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c[nH+]1 ZINC000685464837 549766621 /nfs/dbraw/zinc/76/66/21/549766621.db2.gz PPQUJXWONZVACG-RTBURBONSA-N 2 2 302.462 3.461 20 0 DGADLP COC1CC[NH+](CC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000685842843 549797808 /nfs/dbraw/zinc/79/78/08/549797808.db2.gz UDJYXKVHKPVOPM-UHFFFAOYSA-N 2 2 318.505 3.227 20 0 DGADLP Cc1cc2[nH+]cn(CN3CC[C@@H]([NH+]4CCCCC4)C3)c2cc1C ZINC000730807154 574536617 /nfs/dbraw/zinc/53/66/17/574536617.db2.gz NZSSDXXPQKWHSD-QGZVFWFLSA-N 2 2 312.461 3.171 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCCC[N@H+]3C)c2)[nH+]c1C ZINC000732275418 574569872 /nfs/dbraw/zinc/56/98/72/574569872.db2.gz CMSCBWGSUBXJKM-INIZCTEOSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3C)c2)[nH+]c1C ZINC000732275418 574569873 /nfs/dbraw/zinc/56/98/73/574569873.db2.gz CMSCBWGSUBXJKM-INIZCTEOSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000733798610 574639947 /nfs/dbraw/zinc/63/99/47/574639947.db2.gz WJOPHQBJIXVGBV-LLVKDONJSA-N 2 2 314.364 3.467 20 0 DGADLP Cc1ccoc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742378250 574994091 /nfs/dbraw/zinc/99/40/91/574994091.db2.gz NFSCONWPCDHPLQ-UHFFFAOYSA-N 2 2 313.445 3.413 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000750839547 575754572 /nfs/dbraw/zinc/75/45/72/575754572.db2.gz MSFRGDFTLNTGIT-XJKSGUPXSA-N 2 2 321.465 3.386 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398136405 575960731 /nfs/dbraw/zinc/96/07/31/575960731.db2.gz LDTSEFGNYDSJFJ-XLIONFOSSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398136405 575960735 /nfs/dbraw/zinc/96/07/35/575960735.db2.gz LDTSEFGNYDSJFJ-XLIONFOSSA-N 2 2 309.457 3.390 20 0 DGADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H](O)c1ccc(Cl)cc1 ZINC000852728402 620642946 /nfs/dbraw/zinc/64/29/46/620642946.db2.gz BKMFUKMAVXEYFH-DLBZAZTESA-N 2 2 321.852 3.274 20 0 DGADLP c1nn(CC2CCC2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892085412 617958187 /nfs/dbraw/zinc/95/81/87/617958187.db2.gz DYFGXKRWRIEAMP-IBGZPJMESA-N 2 2 316.493 3.134 20 0 DGADLP c1nn(CC2CCC2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000892085412 617958190 /nfs/dbraw/zinc/95/81/90/617958190.db2.gz DYFGXKRWRIEAMP-IBGZPJMESA-N 2 2 316.493 3.134 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000892114161 617965265 /nfs/dbraw/zinc/96/52/65/617965265.db2.gz MDYYBCMVDWXTSP-KRWDZBQOSA-N 2 2 306.498 3.387 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000892114161 617965267 /nfs/dbraw/zinc/96/52/67/617965267.db2.gz MDYYBCMVDWXTSP-KRWDZBQOSA-N 2 2 306.498 3.387 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000892114161 617965269 /nfs/dbraw/zinc/96/52/69/617965269.db2.gz MDYYBCMVDWXTSP-KRWDZBQOSA-N 2 2 306.498 3.387 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000892114161 617965273 /nfs/dbraw/zinc/96/52/73/617965273.db2.gz MDYYBCMVDWXTSP-KRWDZBQOSA-N 2 2 306.498 3.387 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234817 617991418 /nfs/dbraw/zinc/99/14/18/617991418.db2.gz IJWDVHMXGOWJNV-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234817 617991422 /nfs/dbraw/zinc/99/14/22/617991422.db2.gz IJWDVHMXGOWJNV-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000892234817 617991426 /nfs/dbraw/zinc/99/14/26/617991426.db2.gz IJWDVHMXGOWJNV-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000892234817 617991430 /nfs/dbraw/zinc/99/14/30/617991430.db2.gz IJWDVHMXGOWJNV-PBHICJAKSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234820 617991852 /nfs/dbraw/zinc/99/18/52/617991852.db2.gz IJWDVHMXGOWJNV-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234820 617991855 /nfs/dbraw/zinc/99/18/55/617991855.db2.gz IJWDVHMXGOWJNV-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000892234820 617991857 /nfs/dbraw/zinc/99/18/57/617991857.db2.gz IJWDVHMXGOWJNV-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000892234820 617991860 /nfs/dbraw/zinc/99/18/60/617991860.db2.gz IJWDVHMXGOWJNV-YOEHRIQHSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234818 617991926 /nfs/dbraw/zinc/99/19/26/617991926.db2.gz IJWDVHMXGOWJNV-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000892234818 617991927 /nfs/dbraw/zinc/99/19/27/617991927.db2.gz IJWDVHMXGOWJNV-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000892234818 617991931 /nfs/dbraw/zinc/99/19/31/617991931.db2.gz IJWDVHMXGOWJNV-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cnc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000892234818 617991934 /nfs/dbraw/zinc/99/19/34/617991934.db2.gz IJWDVHMXGOWJNV-RHSMWYFYSA-N 2 2 319.880 3.492 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469869 618028528 /nfs/dbraw/zinc/02/85/28/618028528.db2.gz HGHAFXGHDLJHGN-YVWKXTFCSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469869 618028532 /nfs/dbraw/zinc/02/85/32/618028532.db2.gz HGHAFXGHDLJHGN-YVWKXTFCSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@@H]1OC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H]1C ZINC000926497195 618032948 /nfs/dbraw/zinc/03/29/48/618032948.db2.gz SMWIKXHJPSYKFJ-XUJVJEKNSA-N 2 2 305.809 3.039 20 0 DGADLP Cn1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC000892446501 618068058 /nfs/dbraw/zinc/06/80/58/618068058.db2.gz JIBWGRAISNUZBZ-UHFFFAOYSA-N 2 2 324.472 3.052 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000924580512 618122355 /nfs/dbraw/zinc/12/23/55/618122355.db2.gz VBJBZEMAOSGFLG-AWEZNQCLSA-N 2 2 301.434 3.464 20 0 DGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000924580512 618122356 /nfs/dbraw/zinc/12/23/56/618122356.db2.gz VBJBZEMAOSGFLG-AWEZNQCLSA-N 2 2 301.434 3.464 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1C[C@]1(C)Br ZINC000892650694 618126457 /nfs/dbraw/zinc/12/64/57/618126457.db2.gz PMOYZWIKPKSDOR-DYEKYZERSA-N 2 2 314.271 3.061 20 0 DGADLP CNc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892669263 618131651 /nfs/dbraw/zinc/13/16/51/618131651.db2.gz QNZWBNVKOMPYKK-WBMJQRKESA-N 2 2 317.462 3.075 20 0 DGADLP CNc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892669263 618131653 /nfs/dbraw/zinc/13/16/53/618131653.db2.gz QNZWBNVKOMPYKK-WBMJQRKESA-N 2 2 317.462 3.075 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000925069964 618309673 /nfs/dbraw/zinc/30/96/73/618309673.db2.gz IJENDELGRLXNPY-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000925069964 618309681 /nfs/dbraw/zinc/30/96/81/618309681.db2.gz IJENDELGRLXNPY-XLIONFOSSA-N 2 2 309.457 3.267 20 0 DGADLP C[C@H]1CC2(CC([NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000925074401 618355182 /nfs/dbraw/zinc/35/51/82/618355182.db2.gz WKDDSTXOVMLPEZ-OXHPOLQJSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000925074401 618355190 /nfs/dbraw/zinc/35/51/90/618355190.db2.gz WKDDSTXOVMLPEZ-OXHPOLQJSA-N 2 2 314.473 3.198 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000894495893 618359044 /nfs/dbraw/zinc/35/90/44/618359044.db2.gz NCWSQVGDHMIHCN-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cn1 ZINC000894495893 618359051 /nfs/dbraw/zinc/35/90/51/618359051.db2.gz NCWSQVGDHMIHCN-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000894495893 618359056 /nfs/dbraw/zinc/35/90/56/618359056.db2.gz NCWSQVGDHMIHCN-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000894495893 618359061 /nfs/dbraw/zinc/35/90/61/618359061.db2.gz NCWSQVGDHMIHCN-HKUYNNGSSA-N 2 2 301.478 3.196 20 0 DGADLP Cc1cc(F)ncc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893081345 618416881 /nfs/dbraw/zinc/41/68/81/618416881.db2.gz WYCANJYKUKUAOY-KRWDZBQOSA-N 2 2 324.403 3.336 20 0 DGADLP Cc1ncoc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747135 618443634 /nfs/dbraw/zinc/44/36/34/618443634.db2.gz CGBPXSYVWLULLX-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncoc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000894747135 618443636 /nfs/dbraw/zinc/44/36/36/618443636.db2.gz CGBPXSYVWLULLX-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncoc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894747135 618443639 /nfs/dbraw/zinc/44/36/39/618443639.db2.gz CGBPXSYVWLULLX-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncoc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894747135 618443644 /nfs/dbraw/zinc/44/36/44/618443644.db2.gz CGBPXSYVWLULLX-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925517301 618454250 /nfs/dbraw/zinc/45/42/50/618454250.db2.gz GFUAJAJJRQVGTL-IBGZPJMESA-N 3 2 313.489 3.047 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1 ZINC000925528797 618471953 /nfs/dbraw/zinc/47/19/53/618471953.db2.gz AYTCNXVPEIZUSL-PXAZEXFGSA-N 2 2 306.356 3.022 20 0 DGADLP C[C@H](c1ccsc1)[NH+]1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000893200188 618472610 /nfs/dbraw/zinc/47/26/10/618472610.db2.gz QWXDVBRPNXYLDZ-LLVKDONJSA-N 2 2 322.865 3.262 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848561 618475268 /nfs/dbraw/zinc/47/52/68/618475268.db2.gz IHTZNFTZGBWAPE-MRXNPFEDSA-N 2 2 321.877 3.477 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848561 618475269 /nfs/dbraw/zinc/47/52/69/618475269.db2.gz IHTZNFTZGBWAPE-MRXNPFEDSA-N 2 2 321.877 3.477 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848561 618475271 /nfs/dbraw/zinc/47/52/71/618475271.db2.gz IHTZNFTZGBWAPE-MRXNPFEDSA-N 2 2 321.877 3.477 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4ccnc(Cl)c4s3)C2)C1 ZINC000894848561 618475275 /nfs/dbraw/zinc/47/52/75/618475275.db2.gz IHTZNFTZGBWAPE-MRXNPFEDSA-N 2 2 321.877 3.477 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2nc3ccccc3o2)c2cccc[nH+]2)CC1 ZINC000895111779 618540366 /nfs/dbraw/zinc/54/03/66/618540366.db2.gz JKZFMLVXHMAJME-SHTZXODSSA-N 2 2 322.412 3.499 20 0 DGADLP C[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC000895112238 618540405 /nfs/dbraw/zinc/54/04/05/618540405.db2.gz PGADICVAYCXQLD-IZZHAREASA-N 2 2 303.450 3.114 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2cc(C3CC3)no2)c2cccc[nH+]2)CC1 ZINC000895115966 618540891 /nfs/dbraw/zinc/54/08/91/618540891.db2.gz QDAQWYQJOFSBHI-SHTZXODSSA-N 2 2 312.417 3.224 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCc3cccnc32)CC1 ZINC000895117175 618541594 /nfs/dbraw/zinc/54/15/94/618541594.db2.gz YXYRBGYQDFQVJN-BRWVUGGUSA-N 2 2 308.429 3.240 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cccc(F)c1OCC(F)(F)F)[NH+](C)C ZINC000895290589 618588948 /nfs/dbraw/zinc/58/89/48/618588948.db2.gz NDPVDXVFRSIPSO-NSHDSACASA-N 2 2 322.346 3.197 20 0 DGADLP Oc1cccc2c(N3CCC(Nc4cccc[nH+]4)CC3)cc[nH+]c12 ZINC000895354931 618601666 /nfs/dbraw/zinc/60/16/66/618601666.db2.gz SOFDJYWDBMGKIK-UHFFFAOYSA-N 2 2 320.396 3.416 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1csc(-c2ccccc2F)n1 ZINC000925787652 618620006 /nfs/dbraw/zinc/62/00/06/618620006.db2.gz ZAMQAKRBSLQSMO-UPJWGTAASA-N 2 2 319.449 3.455 20 0 DGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925793245 618620991 /nfs/dbraw/zinc/62/09/91/618620991.db2.gz HYDOTJDDDMOBAY-IAGOWNOFSA-N 2 2 302.462 3.113 20 0 DGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793357 618621127 /nfs/dbraw/zinc/62/11/27/618621127.db2.gz IIGPQDSLEGSISO-YJBOKZPZSA-N 2 2 302.462 3.058 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049633 618699604 /nfs/dbraw/zinc/69/96/04/618699604.db2.gz IFVLPXLGNPCNDI-HIFRSBDPSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049633 618699605 /nfs/dbraw/zinc/69/96/05/618699605.db2.gz IFVLPXLGNPCNDI-HIFRSBDPSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049633 618699607 /nfs/dbraw/zinc/69/96/07/618699607.db2.gz IFVLPXLGNPCNDI-HIFRSBDPSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2F)[C@H](C)C1 ZINC000894049633 618699608 /nfs/dbraw/zinc/69/96/08/618699608.db2.gz IFVLPXLGNPCNDI-HIFRSBDPSA-N 2 2 324.440 3.005 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC000894081141 618707080 /nfs/dbraw/zinc/70/70/80/618707080.db2.gz SKTIRQRMWLMUPI-UHFFFAOYSA-N 2 2 316.376 3.278 20 0 DGADLP CSc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094269 618708380 /nfs/dbraw/zinc/70/83/80/618708380.db2.gz KROHWKGUBHXTKD-BBRMVZONSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000894094269 618708381 /nfs/dbraw/zinc/70/83/81/618708381.db2.gz KROHWKGUBHXTKD-BBRMVZONSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000894094269 618708383 /nfs/dbraw/zinc/70/83/83/618708383.db2.gz KROHWKGUBHXTKD-BBRMVZONSA-N 2 2 306.475 3.450 20 0 DGADLP CSc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000894094269 618708384 /nfs/dbraw/zinc/70/83/84/618708384.db2.gz KROHWKGUBHXTKD-BBRMVZONSA-N 2 2 306.475 3.450 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccns1 ZINC000924888565 618722841 /nfs/dbraw/zinc/72/28/41/618722841.db2.gz JUBNMYFRRUFXMU-VXGBXAGGSA-N 2 2 304.463 3.303 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924889677 618723476 /nfs/dbraw/zinc/72/34/76/618723476.db2.gz PKGRFOVWLPBPOZ-BXUZGUMPSA-N 2 2 316.449 3.451 20 0 DGADLP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c2c(n1)CCCC2 ZINC000894170917 618723873 /nfs/dbraw/zinc/72/38/73/618723873.db2.gz AJEDJLJNWRWADL-UHFFFAOYSA-N 2 2 313.489 3.375 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000924966252 618752550 /nfs/dbraw/zinc/75/25/50/618752550.db2.gz QQSIABBVVIBTBO-IMJJTQAJSA-N 2 2 314.429 3.255 20 0 DGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000924966252 618752551 /nfs/dbraw/zinc/75/25/51/618752551.db2.gz QQSIABBVVIBTBO-IMJJTQAJSA-N 2 2 314.429 3.255 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000895381548 618776413 /nfs/dbraw/zinc/77/64/13/618776413.db2.gz UPZKUZROKDVOOE-HOCLYGCPSA-N 2 2 301.434 3.380 20 0 DGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000895381548 618776415 /nfs/dbraw/zinc/77/64/15/618776415.db2.gz UPZKUZROKDVOOE-HOCLYGCPSA-N 2 2 301.434 3.380 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672086 618816272 /nfs/dbraw/zinc/81/62/72/618816272.db2.gz OQJASCQGOSZPSO-DFQSSKMNSA-N 2 2 313.489 3.038 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672086 618816275 /nfs/dbraw/zinc/81/62/75/618816275.db2.gz OQJASCQGOSZPSO-DFQSSKMNSA-N 2 2 313.489 3.038 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895671490 618816332 /nfs/dbraw/zinc/81/63/32/618816332.db2.gz PQCMTWQJDLDMGJ-UHFFFAOYSA-N 2 2 324.472 3.445 20 0 DGADLP Cc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)nc(C2CC2)[nH+]1 ZINC000895890873 618846388 /nfs/dbraw/zinc/84/63/88/618846388.db2.gz CUSNDJSAZWUDPD-MRXNPFEDSA-N 2 2 311.433 3.162 20 0 DGADLP C[C@@H]1Cc2cc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)ccc2O1 ZINC000896025627 618862169 /nfs/dbraw/zinc/86/21/69/618862169.db2.gz NVCYTBAJAHWIJN-OAHLLOKOSA-N 2 2 300.446 3.070 20 0 DGADLP COC1CCC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000896035577 618864317 /nfs/dbraw/zinc/86/43/17/618864317.db2.gz VIUKCIZGLAKFNM-NKELODKYSA-N 2 2 313.445 3.419 20 0 DGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000896125101 618876030 /nfs/dbraw/zinc/87/60/30/618876030.db2.gz DDDDQKKGYJWLDE-QGZVFWFLSA-N 2 2 315.461 3.224 20 0 DGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+]3C(C)(C)C)c2C1 ZINC000896125101 618876031 /nfs/dbraw/zinc/87/60/31/618876031.db2.gz DDDDQKKGYJWLDE-QGZVFWFLSA-N 2 2 315.461 3.224 20 0 DGADLP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)c2C1 ZINC000896125101 618876033 /nfs/dbraw/zinc/87/60/33/618876033.db2.gz DDDDQKKGYJWLDE-QGZVFWFLSA-N 2 2 315.461 3.224 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000896192144 618883890 /nfs/dbraw/zinc/88/38/90/618883890.db2.gz IILPXORWSIWYOB-UHFFFAOYSA-N 2 2 301.390 3.150 20 0 DGADLP c1ccc(NC2CC[NH+](CC3Cc4ccccc4C3)CC2)[nH+]c1 ZINC000896195748 618884300 /nfs/dbraw/zinc/88/43/00/618884300.db2.gz PUOOZDUXGSKXTN-UHFFFAOYSA-N 2 2 307.441 3.373 20 0 DGADLP CC[C@H]1C[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCO1 ZINC000896194567 618885222 /nfs/dbraw/zinc/88/52/22/618885222.db2.gz DDTDLVZMWXXIRR-RDJZCZTQSA-N 2 2 303.450 3.163 20 0 DGADLP c1c2cccnc2oc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195211 618885267 /nfs/dbraw/zinc/88/52/67/618885267.db2.gz XJIQUITUVUEYJS-UHFFFAOYSA-N 2 2 308.385 3.299 20 0 DGADLP Clc1ccnc2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000925230724 619087036 /nfs/dbraw/zinc/08/70/36/619087036.db2.gz CXBNMXGAPJROFQ-CQSZACIVSA-N 2 2 302.809 3.209 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925292760 619144836 /nfs/dbraw/zinc/14/48/36/619144836.db2.gz NQILRFUXDLVTRL-OWYHZJEWSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925292760 619144837 /nfs/dbraw/zinc/14/48/37/619144837.db2.gz NQILRFUXDLVTRL-OWYHZJEWSA-N 2 2 302.462 3.105 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c2ncccc12 ZINC000897980886 619202575 /nfs/dbraw/zinc/20/25/75/619202575.db2.gz FNVIOYNRXVZOAJ-UHFFFAOYSA-N 2 2 313.420 3.480 20 0 DGADLP Cc1cc(CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(C)[nH+]1 ZINC000897992378 619203726 /nfs/dbraw/zinc/20/37/26/619203726.db2.gz XOCWHHLTJCXUDG-OALUTQOASA-N 2 2 323.440 3.008 20 0 DGADLP Cc1cc(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(C)[nH+]1 ZINC000897992378 619203729 /nfs/dbraw/zinc/20/37/29/619203729.db2.gz XOCWHHLTJCXUDG-OALUTQOASA-N 2 2 323.440 3.008 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCS1 ZINC000927029779 619258146 /nfs/dbraw/zinc/25/81/46/619258146.db2.gz FWADJYUWXDRVEX-BVIKNXMNSA-N 2 2 319.518 3.166 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCS1 ZINC000927029779 619258148 /nfs/dbraw/zinc/25/81/48/619258148.db2.gz FWADJYUWXDRVEX-BVIKNXMNSA-N 2 2 319.518 3.166 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000924729650 619268773 /nfs/dbraw/zinc/26/87/73/619268773.db2.gz NBOZRDNJBKVWGG-SFHVURJKSA-N 3 2 320.525 3.398 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000924730812 619269084 /nfs/dbraw/zinc/26/90/84/619269084.db2.gz RBIATRAHLOUEOY-GDBMZVCRSA-N 2 2 315.465 3.181 20 0 DGADLP CCc1nc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)co1 ZINC000902389356 619630019 /nfs/dbraw/zinc/63/00/19/619630019.db2.gz WHFFRZHVOYOFRW-INIZCTEOSA-N 2 2 323.387 3.475 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1F ZINC000902438913 619636156 /nfs/dbraw/zinc/63/61/56/619636156.db2.gz OGHQUSLAKFQKIJ-XNAIMREJSA-N 2 2 300.377 3.110 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000902439623 619636709 /nfs/dbraw/zinc/63/67/09/619636709.db2.gz SGUGCLJBGKWLTJ-CGRMTHRGSA-N 2 2 322.452 3.369 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475326 619638385 /nfs/dbraw/zinc/63/83/85/619638385.db2.gz IJCANDOGRKUPEC-GEJOOGBSSA-N 2 2 301.459 3.271 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902475304 619638464 /nfs/dbraw/zinc/63/84/64/619638464.db2.gz HUFDJCDZNWKWAN-NOCIGQNYSA-N 2 2 300.446 3.409 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000902450151 619639859 /nfs/dbraw/zinc/63/98/59/619639859.db2.gz RIQRNJXTIOOHEH-SLEUVZQESA-N 2 2 303.475 3.376 20 0 DGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483058 619645604 /nfs/dbraw/zinc/64/56/04/619645604.db2.gz OZABAGFCOACORK-WBVHZDCISA-N 2 2 317.477 3.088 20 0 DGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c(C)c1 ZINC000902486248 619645962 /nfs/dbraw/zinc/64/59/62/619645962.db2.gz CKFCLXBZOPYASW-DLBZAZTESA-N 2 2 317.477 3.142 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902735574 619667775 /nfs/dbraw/zinc/66/77/75/619667775.db2.gz GFAHKBHKJWVZNV-LBPRGKRZSA-N 2 2 303.372 3.481 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902735574 619667776 /nfs/dbraw/zinc/66/77/76/619667776.db2.gz GFAHKBHKJWVZNV-LBPRGKRZSA-N 2 2 303.372 3.481 20 0 DGADLP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000902765657 619672778 /nfs/dbraw/zinc/67/27/78/619672778.db2.gz RXDZEQHEFWZYCT-HZPDHXFCSA-N 2 2 317.408 3.449 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817809 619678971 /nfs/dbraw/zinc/67/89/71/619678971.db2.gz DECJAKMWHRKQBW-MDZLAQPJSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902817809 619678972 /nfs/dbraw/zinc/67/89/72/619678972.db2.gz DECJAKMWHRKQBW-MDZLAQPJSA-N 2 2 301.356 3.234 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902826779 619679977 /nfs/dbraw/zinc/67/99/77/619679977.db2.gz WKAHTPAGOGODJI-JKSUJKDBSA-N 2 2 301.434 3.322 20 0 DGADLP c1ccc(NCCC[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)[nH+]c1 ZINC000902835296 619682346 /nfs/dbraw/zinc/68/23/46/619682346.db2.gz DDZNZUOLCXGIMM-MSOLQXFVSA-N 2 2 317.477 3.459 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016767 619701772 /nfs/dbraw/zinc/70/17/72/619701772.db2.gz HKOWRAPVIOFOEB-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016767 619701776 /nfs/dbraw/zinc/70/17/76/619701776.db2.gz HKOWRAPVIOFOEB-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1COc2ccccc2C1 ZINC000903046779 619710448 /nfs/dbraw/zinc/71/04/48/619710448.db2.gz AQPZCQRLMOIMFL-UAGQMJEPSA-N 2 2 302.462 3.089 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1COc2ccccc2C1 ZINC000903046779 619710449 /nfs/dbraw/zinc/71/04/49/619710449.db2.gz AQPZCQRLMOIMFL-UAGQMJEPSA-N 2 2 302.462 3.089 20 0 DGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cnn(CC2CCC2)c1 ZINC000903072942 619715362 /nfs/dbraw/zinc/71/53/62/619715362.db2.gz GDNZGMGGFVCCRM-HNNXBMFYSA-N 2 2 301.438 3.011 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(CC2CCC2)c1 ZINC000903197010 619734455 /nfs/dbraw/zinc/73/44/55/619734455.db2.gz UTLXACRIVYFJQD-IPELMVKDSA-N 2 2 316.493 3.351 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(CC2CCC2)c1 ZINC000903197010 619734457 /nfs/dbraw/zinc/73/44/57/619734457.db2.gz UTLXACRIVYFJQD-IPELMVKDSA-N 2 2 316.493 3.351 20 0 DGADLP CO[C@]1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCSC1 ZINC000903316419 619758735 /nfs/dbraw/zinc/75/87/35/619758735.db2.gz OTMFWGAHDNUMGR-PBHICJAKSA-N 2 2 317.458 3.045 20 0 DGADLP CCO[C@@H]1CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376966 619767858 /nfs/dbraw/zinc/76/78/58/619767858.db2.gz HYRBORXQIHEQBQ-KZNAEPCWSA-N 2 2 305.466 3.012 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccnc1 ZINC000903377932 619768446 /nfs/dbraw/zinc/76/84/46/619768446.db2.gz ODXYHFRMNVTEQR-MSOLQXFVSA-N 2 2 317.477 3.156 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C[C@H]1OC ZINC000903381267 619768889 /nfs/dbraw/zinc/76/88/89/619768889.db2.gz UMIRAKHFTZVGAJ-KZNAEPCWSA-N 2 2 319.493 3.258 20 0 DGADLP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3C[C@H]3CCCC[NH2+]C3)O2)cc1 ZINC000903767581 619810206 /nfs/dbraw/zinc/81/02/06/619810206.db2.gz IGGTZHUVQJPKIX-LEAZDLGRSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3C[C@H]3CCCC[NH2+]C3)O2)cc1 ZINC000903767581 619810208 /nfs/dbraw/zinc/81/02/08/619810208.db2.gz IGGTZHUVQJPKIX-LEAZDLGRSA-N 2 2 314.473 3.371 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000903899393 619830337 /nfs/dbraw/zinc/83/03/37/619830337.db2.gz UEXBQPSKQATOBB-QWHCGFSZSA-N 2 2 300.418 3.083 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000903899393 619830340 /nfs/dbraw/zinc/83/03/40/619830340.db2.gz UEXBQPSKQATOBB-QWHCGFSZSA-N 2 2 300.418 3.083 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910756 619833091 /nfs/dbraw/zinc/83/30/91/619833091.db2.gz PVQBNJUCRLDGRZ-AAEUAGOBSA-N 2 2 322.321 3.477 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000903910756 619833095 /nfs/dbraw/zinc/83/30/95/619833095.db2.gz PVQBNJUCRLDGRZ-AAEUAGOBSA-N 2 2 322.321 3.477 20 0 DGADLP c1ccc2cc(C[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)ccc2c1 ZINC000903974584 619847598 /nfs/dbraw/zinc/84/75/98/619847598.db2.gz RBLIMALOOBDCOH-LJQANCHMSA-N 2 2 310.441 3.088 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cs2)cc1 ZINC000903964540 619849566 /nfs/dbraw/zinc/84/95/66/619849566.db2.gz KUFFNMOBWAASRK-HIFRSBDPSA-N 2 2 301.459 3.064 20 0 DGADLP CC(C)c1ccc(C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000908497908 620207612 /nfs/dbraw/zinc/20/76/12/620207612.db2.gz YUHFCCGNBXJJGU-FQEVSTJZSA-N 2 2 316.489 3.231 20 0 DGADLP CC(C)c1ccc(C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C2CC2)cc1 ZINC000908497908 620207615 /nfs/dbraw/zinc/20/76/15/620207615.db2.gz YUHFCCGNBXJJGU-FQEVSTJZSA-N 2 2 316.489 3.231 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(C2CCC2)c1 ZINC000924844466 620373256 /nfs/dbraw/zinc/37/32/56/620373256.db2.gz UMRTYRIBBFKBOO-AWEZNQCLSA-N 2 2 302.466 3.276 20 0 DGADLP CSCC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000151101907 620423399 /nfs/dbraw/zinc/42/33/99/620423399.db2.gz QRDQJJAOTZWSID-HNNXBMFYSA-N 2 2 321.534 3.453 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000921915317 620968274 /nfs/dbraw/zinc/96/82/74/620968274.db2.gz RVNNZJIWIGJJJZ-CYBMUJFWSA-N 2 2 312.889 3.083 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000921915317 620968275 /nfs/dbraw/zinc/96/82/75/620968275.db2.gz RVNNZJIWIGJJJZ-CYBMUJFWSA-N 2 2 312.889 3.083 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(Oc3ccccn3)c1)CC2 ZINC000922016542 620980794 /nfs/dbraw/zinc/98/07/94/620980794.db2.gz BJYNOPITGZVALI-INIZCTEOSA-N 2 2 320.396 3.175 20 0 DGADLP CC(C)(C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)C[NH+]1CCCC1 ZINC000922051137 620984251 /nfs/dbraw/zinc/98/42/51/620984251.db2.gz FKSRRXRGIKOLKY-UHFFFAOYSA-N 2 2 310.873 3.152 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H]3CCCc4cccnc43)c2)c[nH+]1 ZINC000922882124 621112864 /nfs/dbraw/zinc/11/28/64/621112864.db2.gz PWWSSBLSGXTXGF-INIZCTEOSA-N 2 2 310.426 3.496 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000858148606 621158979 /nfs/dbraw/zinc/15/89/79/621158979.db2.gz DNHZTZVEQNYACJ-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000858148606 621158980 /nfs/dbraw/zinc/15/89/80/621158980.db2.gz DNHZTZVEQNYACJ-YJBOKZPZSA-N 2 2 313.420 3.363 20 0 DGADLP Clc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)co2)c1 ZINC000923517566 621190923 /nfs/dbraw/zinc/19/09/23/621190923.db2.gz FEXFGHXYAISGQI-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)co2)c1 ZINC000923517566 621190925 /nfs/dbraw/zinc/19/09/25/621190925.db2.gz FEXFGHXYAISGQI-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Cc1cc(Nc2cc[nH+]c(CO)c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000858475883 621195981 /nfs/dbraw/zinc/19/59/81/621195981.db2.gz LQHQTKNEQIHNDC-AWEZNQCLSA-N 2 2 312.417 3.400 20 0 DGADLP CC(C)n1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000859215247 621261944 /nfs/dbraw/zinc/26/19/44/621261944.db2.gz ZVLQGXJCVNAWHK-UHFFFAOYSA-N 2 2 300.450 3.158 20 0 DGADLP CC(C)n1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000859215247 621261947 /nfs/dbraw/zinc/26/19/47/621261947.db2.gz ZVLQGXJCVNAWHK-UHFFFAOYSA-N 2 2 300.450 3.158 20 0 DGADLP Cc1cc(NCc2cccc3[nH+]ccn32)ccc1OCC[NH+](C)C ZINC000839184384 621344440 /nfs/dbraw/zinc/34/44/40/621344440.db2.gz JPWSUXOTQKCKKB-UHFFFAOYSA-N 2 2 324.428 3.195 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753653548 621457869 /nfs/dbraw/zinc/45/78/69/621457869.db2.gz JCOQPSRJFYCAED-DLBZAZTESA-N 2 2 320.477 3.073 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753653548 621457871 /nfs/dbraw/zinc/45/78/71/621457871.db2.gz JCOQPSRJFYCAED-DLBZAZTESA-N 2 2 320.477 3.073 20 0 DGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753653556 621458125 /nfs/dbraw/zinc/45/81/25/621458125.db2.gz JCOQPSRJFYCAED-SJORKVTESA-N 2 2 320.477 3.073 20 0 DGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753653556 621458126 /nfs/dbraw/zinc/45/81/26/621458126.db2.gz JCOQPSRJFYCAED-SJORKVTESA-N 2 2 320.477 3.073 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000754670843 621523440 /nfs/dbraw/zinc/52/34/40/621523440.db2.gz OVTMSLIOUZGXFK-WBVHZDCISA-N 2 2 318.486 3.200 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000754670843 621523442 /nfs/dbraw/zinc/52/34/42/621523442.db2.gz OVTMSLIOUZGXFK-WBVHZDCISA-N 2 2 318.486 3.200 20 0 DGADLP COc1cc(C[N@H+](C)C[C@@H](C)[NH3+])c(-c2ccccc2)cc1OC ZINC000863651054 621693812 /nfs/dbraw/zinc/69/38/12/621693812.db2.gz ACXOOOJGJNGEIU-CQSZACIVSA-N 2 2 314.429 3.150 20 0 DGADLP COc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])c(-c2ccccc2)cc1OC ZINC000863651054 621693815 /nfs/dbraw/zinc/69/38/15/621693815.db2.gz ACXOOOJGJNGEIU-CQSZACIVSA-N 2 2 314.429 3.150 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865416953 621915827 /nfs/dbraw/zinc/91/58/27/621915827.db2.gz RSTHUKHRSLFPOA-STQMWFEESA-N 2 2 314.351 3.144 20 0 DGADLP Fc1cc(OC(F)F)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865416953 621915830 /nfs/dbraw/zinc/91/58/30/621915830.db2.gz RSTHUKHRSLFPOA-STQMWFEESA-N 2 2 314.351 3.144 20 0 DGADLP C[C@]1(C[NH2+]Cc2cn(C3CC3)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000865554618 621950760 /nfs/dbraw/zinc/95/07/60/621950760.db2.gz OOEBUKRCBMFHJR-HXUWFJFHSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@]1(C[NH2+]Cc2cn(C3CC3)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000865554618 621950764 /nfs/dbraw/zinc/95/07/64/621950764.db2.gz OOEBUKRCBMFHJR-HXUWFJFHSA-N 2 2 324.472 3.220 20 0 DGADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCCO1 ZINC000865746809 621987508 /nfs/dbraw/zinc/98/75/08/621987508.db2.gz PQTPWVNOOKQHBV-HNNXBMFYSA-N 2 2 305.447 3.371 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838277 622005308 /nfs/dbraw/zinc/00/53/08/622005308.db2.gz SNUDHQZMGFUTCV-FUHWJXTLSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccnn1C ZINC000865838277 622005311 /nfs/dbraw/zinc/00/53/11/622005311.db2.gz SNUDHQZMGFUTCV-FUHWJXTLSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CCCn1cc[nH+]c1 ZINC000866213276 622067207 /nfs/dbraw/zinc/06/72/07/622067207.db2.gz SFIXSMZTLMHGHZ-INIZCTEOSA-N 2 2 308.429 3.432 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866222595 622069384 /nfs/dbraw/zinc/06/93/84/622069384.db2.gz MEGWOEPTDBRYLA-IEBWSBKVSA-N 2 2 314.404 3.310 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000866243961 622074828 /nfs/dbraw/zinc/07/48/28/622074828.db2.gz JYHRWKJNWVEVEP-MOPGFXCFSA-N 2 2 311.429 3.310 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866343501 622098421 /nfs/dbraw/zinc/09/84/21/622098421.db2.gz MWQFBJPNKQUGMK-WDEREUQCSA-N 2 2 316.792 3.343 20 0 DGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361290 622102991 /nfs/dbraw/zinc/10/29/91/622102991.db2.gz MHPFVOBHZYRERH-WMLDXEAASA-N 2 2 320.440 3.426 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C3([NH+](C)C)CCC3)c2)[nH+]c1C ZINC000763031475 622117940 /nfs/dbraw/zinc/11/79/40/622117940.db2.gz UTUBDUVXPBLVAC-UHFFFAOYSA-N 2 2 312.417 3.116 20 0 DGADLP CCCCc1noc([C@H](C)[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705240 622158896 /nfs/dbraw/zinc/15/88/96/622158896.db2.gz VZPQPJHTLCKTBH-SUMWQHHRSA-N 2 2 308.470 3.170 20 0 DGADLP CCCCc1noc([C@H](C)[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705240 622158897 /nfs/dbraw/zinc/15/88/97/622158897.db2.gz VZPQPJHTLCKTBH-SUMWQHHRSA-N 2 2 308.470 3.170 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000764948219 622235178 /nfs/dbraw/zinc/23/51/78/622235178.db2.gz GXUIVVSMBJSDML-SJORKVTESA-N 2 2 304.478 3.480 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000764948219 622235181 /nfs/dbraw/zinc/23/51/81/622235181.db2.gz GXUIVVSMBJSDML-SJORKVTESA-N 2 2 304.478 3.480 20 0 DGADLP CC(C)n1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000765255173 622254579 /nfs/dbraw/zinc/25/45/79/622254579.db2.gz PTVUSUHZXDZMRL-GDBMZVCRSA-N 2 2 303.454 3.426 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccccc1 ZINC000765525102 622270828 /nfs/dbraw/zinc/27/08/28/622270828.db2.gz IUHQKNCCPDFZAJ-HLLBOEOZSA-N 2 2 312.461 3.314 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccccc1 ZINC000765525102 622270831 /nfs/dbraw/zinc/27/08/31/622270831.db2.gz IUHQKNCCPDFZAJ-HLLBOEOZSA-N 2 2 312.461 3.314 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC000765859444 622291627 /nfs/dbraw/zinc/29/16/27/622291627.db2.gz KRRKXNZDYVDWDQ-OAHLLOKOSA-N 2 2 322.468 3.236 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccnc(Cl)c1 ZINC000765974966 622297821 /nfs/dbraw/zinc/29/78/21/622297821.db2.gz JMCVWIXPRZLNGA-BBRMVZONSA-N 2 2 323.868 3.029 20 0 DGADLP CCc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000765994857 622298953 /nfs/dbraw/zinc/29/89/53/622298953.db2.gz SDINHSIGNHTZFO-ZDUSSCGKSA-N 2 2 309.417 3.317 20 0 DGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275682 622316671 /nfs/dbraw/zinc/31/66/71/622316671.db2.gz YLMBKKXRLQRFKI-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000766275682 622316674 /nfs/dbraw/zinc/31/66/74/622316674.db2.gz YLMBKKXRLQRFKI-ZBFHGGJFSA-N 2 2 306.450 3.229 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204419 625559111 /nfs/dbraw/zinc/55/91/11/625559111.db2.gz FKKVITCKVVNNQT-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204419 625559119 /nfs/dbraw/zinc/55/91/19/625559119.db2.gz FKKVITCKVVNNQT-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204419 625559129 /nfs/dbraw/zinc/55/91/29/625559129.db2.gz FKKVITCKVVNNQT-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000129204419 625559136 /nfs/dbraw/zinc/55/91/36/625559136.db2.gz FKKVITCKVVNNQT-KGLIPLIRSA-N 2 2 317.458 3.337 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000768707531 622472298 /nfs/dbraw/zinc/47/22/98/622472298.db2.gz SHOFVBPCYLRRLH-XEBKBJJBSA-N 2 2 309.404 3.240 20 0 DGADLP COc1cccc2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)oc21 ZINC000769314236 622516675 /nfs/dbraw/zinc/51/66/75/622516675.db2.gz WQODXDKZIFGATO-OAHLLOKOSA-N 2 2 311.385 3.475 20 0 DGADLP COc1cccc2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)oc21 ZINC000769314236 622516677 /nfs/dbraw/zinc/51/66/77/622516677.db2.gz WQODXDKZIFGATO-OAHLLOKOSA-N 2 2 311.385 3.475 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)c2)[nH+]c1C ZINC000870871955 622520543 /nfs/dbraw/zinc/52/05/43/622520543.db2.gz FENWJACWLDSGLE-CTYIDZIISA-N 2 2 312.417 3.150 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000769968085 622583746 /nfs/dbraw/zinc/58/37/46/622583746.db2.gz LYKJACXHHXEMRK-DZGCQCFKSA-N 2 2 324.490 3.051 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129741 622823955 /nfs/dbraw/zinc/82/39/55/622823955.db2.gz BFWPTEIAJZNFJG-NTZNESFSSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129741 622823960 /nfs/dbraw/zinc/82/39/60/622823960.db2.gz BFWPTEIAJZNFJG-NTZNESFSSA-N 2 2 301.356 3.234 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872145523 622833166 /nfs/dbraw/zinc/83/31/66/622833166.db2.gz SPIZQBBFMPBBGV-AWEZNQCLSA-N 2 2 304.356 3.495 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872145523 622833171 /nfs/dbraw/zinc/83/31/71/622833171.db2.gz SPIZQBBFMPBBGV-AWEZNQCLSA-N 2 2 304.356 3.495 20 0 DGADLP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158641 622840984 /nfs/dbraw/zinc/84/09/84/622840984.db2.gz WKUPHJLLSYCTJB-BBRMVZONSA-N 2 2 318.465 3.067 20 0 DGADLP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158641 622840988 /nfs/dbraw/zinc/84/09/88/622840988.db2.gz WKUPHJLLSYCTJB-BBRMVZONSA-N 2 2 318.465 3.067 20 0 DGADLP Cn1c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc2cc(F)ccc21 ZINC000772997610 622963416 /nfs/dbraw/zinc/96/34/16/622963416.db2.gz DGNQIOKYLMQMKN-UHFFFAOYSA-N 2 2 318.440 3.065 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000873223529 623080340 /nfs/dbraw/zinc/08/03/40/623080340.db2.gz PRIJUHREPORNES-QLFBSQMISA-N 2 2 323.278 3.065 20 0 DGADLP COCCC1([NH2+]Cc2csc(Cl)c2Cl)CC[NH2+]CC1 ZINC000873224892 623081842 /nfs/dbraw/zinc/08/18/42/623081842.db2.gz JQAUNOWCJGVPSX-UHFFFAOYSA-N 2 2 323.289 3.303 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC000873238410 623086805 /nfs/dbraw/zinc/08/68/05/623086805.db2.gz ZNUISSPOEJDLEY-GUYCJALGSA-N 2 2 303.450 3.074 20 0 DGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236212 623086845 /nfs/dbraw/zinc/08/68/45/623086845.db2.gz YTADRQIZDTVWSW-HOTGVXAUSA-N 2 2 317.477 3.080 20 0 DGADLP Cc1cc(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000775012366 623216143 /nfs/dbraw/zinc/21/61/43/623216143.db2.gz HKPNGIADWILRMV-AWEZNQCLSA-N 2 2 320.234 3.059 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775379688 623261805 /nfs/dbraw/zinc/26/18/05/623261805.db2.gz TVHZHUZGTYNGAQ-LEOABGAYSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775379688 623261810 /nfs/dbraw/zinc/26/18/10/623261810.db2.gz TVHZHUZGTYNGAQ-LEOABGAYSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775379689 623262015 /nfs/dbraw/zinc/26/20/15/623262015.db2.gz TVHZHUZGTYNGAQ-YIDVYQOGSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775379689 623262016 /nfs/dbraw/zinc/26/20/16/623262016.db2.gz TVHZHUZGTYNGAQ-YIDVYQOGSA-N 2 2 314.564 3.076 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cnn1-c1ccccc1 ZINC000779067398 623726685 /nfs/dbraw/zinc/72/66/85/623726685.db2.gz WUTTZQBVOYNQBI-GDBMZVCRSA-N 2 2 321.428 3.043 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CC3 ZINC000779070620 623727753 /nfs/dbraw/zinc/72/77/53/623727753.db2.gz BVFJOBVQQUDMRB-JKSUJKDBSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CC3 ZINC000779070620 623727755 /nfs/dbraw/zinc/72/77/55/623727755.db2.gz BVFJOBVQQUDMRB-JKSUJKDBSA-N 2 2 311.473 3.408 20 0 DGADLP COc1c(C)cnc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000779197769 623740804 /nfs/dbraw/zinc/74/08/04/623740804.db2.gz IMPQAZDZCITGRV-INIZCTEOSA-N 2 2 307.482 3.163 20 0 DGADLP Cc1nc2ccccc2nc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000876956107 623754159 /nfs/dbraw/zinc/75/41/59/623754159.db2.gz GYNUOBOJMYPANX-GOSISDBHSA-N 2 2 323.444 3.339 20 0 DGADLP Clc1nccc2oc(C[NH2+]CCCCn3cc[nH+]c3)cc21 ZINC000876959236 623754846 /nfs/dbraw/zinc/75/48/46/623754846.db2.gz QNFKWLXOGOFKTR-UHFFFAOYSA-N 2 2 304.781 3.248 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000877486458 623906618 /nfs/dbraw/zinc/90/66/18/623906618.db2.gz NMVMAWKRFJRSEU-PZPWOCDFSA-N 2 2 318.442 3.419 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000877486458 623906621 /nfs/dbraw/zinc/90/66/21/623906621.db2.gz NMVMAWKRFJRSEU-PZPWOCDFSA-N 2 2 318.442 3.419 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000877611673 623962248 /nfs/dbraw/zinc/96/22/48/623962248.db2.gz XRVDPXXJZVHUKM-UHFFFAOYSA-N 2 2 310.873 3.264 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000877611673 623962250 /nfs/dbraw/zinc/96/22/50/623962250.db2.gz XRVDPXXJZVHUKM-UHFFFAOYSA-N 2 2 310.873 3.264 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877741934 624015084 /nfs/dbraw/zinc/01/50/84/624015084.db2.gz BSQBTHXFJVMEGP-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877741934 624015087 /nfs/dbraw/zinc/01/50/87/624015087.db2.gz BSQBTHXFJVMEGP-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877741934 624015088 /nfs/dbraw/zinc/01/50/88/624015088.db2.gz BSQBTHXFJVMEGP-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC ZINC000877741934 624015092 /nfs/dbraw/zinc/01/50/92/624015092.db2.gz BSQBTHXFJVMEGP-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744896 624016941 /nfs/dbraw/zinc/01/69/41/624016941.db2.gz YTNITSZGQHOJHB-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744896 624016946 /nfs/dbraw/zinc/01/69/46/624016946.db2.gz YTNITSZGQHOJHB-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744896 624016950 /nfs/dbraw/zinc/01/69/50/624016950.db2.gz YTNITSZGQHOJHB-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CC[C@@H]21 ZINC000877744896 624016956 /nfs/dbraw/zinc/01/69/56/624016956.db2.gz YTNITSZGQHOJHB-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000126846360 624137811 /nfs/dbraw/zinc/13/78/11/624137811.db2.gz MZYRCIZVIBHYEP-HNNXBMFYSA-N 2 2 309.417 3.008 20 0 DGADLP CCc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000781900024 624166925 /nfs/dbraw/zinc/16/69/25/624166925.db2.gz UHOWFPGZBSBNCY-UHFFFAOYSA-N 2 2 315.505 3.247 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878287749 624236774 /nfs/dbraw/zinc/23/67/74/624236774.db2.gz ILKNEAIWQQCYIV-UHFFFAOYSA-N 2 2 316.449 3.217 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878287749 624236777 /nfs/dbraw/zinc/23/67/77/624236777.db2.gz ILKNEAIWQQCYIV-UHFFFAOYSA-N 2 2 316.449 3.217 20 0 DGADLP CC1(C)CC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)OC1 ZINC000878320848 624244589 /nfs/dbraw/zinc/24/45/89/624244589.db2.gz KHVBVNTZWZRLDS-MRXNPFEDSA-N 2 2 303.450 3.163 20 0 DGADLP CN(c1ccc([NH2+]CC[C@@H]2CCOC2)cc1)C1CC[NH+](C)CC1 ZINC000783580868 624369517 /nfs/dbraw/zinc/36/95/17/624369517.db2.gz IHUDSBOYBKPCAO-MRXNPFEDSA-N 2 2 317.477 3.056 20 0 DGADLP C[C@@H]1SCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783638277 624378379 /nfs/dbraw/zinc/37/83/79/624378379.db2.gz BCBZTARBMYOKRB-KSSFIOAISA-N 2 2 319.518 3.205 20 0 DGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478150 624562951 /nfs/dbraw/zinc/56/29/51/624562951.db2.gz NVNHCKSEEKMQGP-SFHVURJKSA-N 2 2 301.409 3.314 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478150 624562957 /nfs/dbraw/zinc/56/29/57/624562957.db2.gz NVNHCKSEEKMQGP-SFHVURJKSA-N 2 2 301.409 3.314 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578595 624597466 /nfs/dbraw/zinc/59/74/66/624597466.db2.gz FPMIZAWBNYVQBF-KBXCAEBGSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578595 624597468 /nfs/dbraw/zinc/59/74/68/624597468.db2.gz FPMIZAWBNYVQBF-KBXCAEBGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578595 624597472 /nfs/dbraw/zinc/59/74/72/624597472.db2.gz FPMIZAWBNYVQBF-KBXCAEBGSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)CC[C@H]21 ZINC000879578595 624597476 /nfs/dbraw/zinc/59/74/76/624597476.db2.gz FPMIZAWBNYVQBF-KBXCAEBGSA-N 2 2 315.848 3.414 20 0 DGADLP Cc1nc(F)ccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000785484399 624676095 /nfs/dbraw/zinc/67/60/95/624676095.db2.gz YAVCCNLXQYFYKM-KRWDZBQOSA-N 2 2 324.403 3.336 20 0 DGADLP Cc1cccc(CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)n1 ZINC000879952157 624730852 /nfs/dbraw/zinc/73/08/52/624730852.db2.gz TZVFCUJHTDWDEM-UHFFFAOYSA-N 2 2 301.478 3.273 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132067 624800059 /nfs/dbraw/zinc/80/00/59/624800059.db2.gz NDHRSWNKQIZTKA-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1ccc(Cl)cc1 ZINC000880132067 624800060 /nfs/dbraw/zinc/80/00/60/624800060.db2.gz NDHRSWNKQIZTKA-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132067 624800062 /nfs/dbraw/zinc/80/00/62/624800062.db2.gz NDHRSWNKQIZTKA-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000880132067 624800064 /nfs/dbraw/zinc/80/00/64/624800064.db2.gz NDHRSWNKQIZTKA-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C(=C\c1ccccc1)\CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206189 624840701 /nfs/dbraw/zinc/84/07/01/624840701.db2.gz CTLHQUIVCDMFJL-BUSNORKWSA-N 2 2 314.473 3.323 20 0 DGADLP C(=C\c1ccccc1)\CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206189 624840703 /nfs/dbraw/zinc/84/07/03/624840703.db2.gz CTLHQUIVCDMFJL-BUSNORKWSA-N 2 2 314.473 3.323 20 0 DGADLP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1Cl ZINC000880257891 624874763 /nfs/dbraw/zinc/87/47/63/624874763.db2.gz AJVKDZFXBHBUOV-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1Cl ZINC000880257891 624874765 /nfs/dbraw/zinc/87/47/65/624874765.db2.gz AJVKDZFXBHBUOV-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP CC1(C)CC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)OC1 ZINC000880569340 624979405 /nfs/dbraw/zinc/97/94/05/624979405.db2.gz CJDACVMCIPXHAX-ROUUACIJSA-N 2 2 313.445 3.419 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c2ccccc2)c[nH+]1 ZINC000880569478 624979447 /nfs/dbraw/zinc/97/94/47/624979447.db2.gz FBBYEYBVTIYCRT-XWSJACJDSA-N 2 2 311.429 3.172 20 0 DGADLP CC1(C)CC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)OC1 ZINC000880569339 624979491 /nfs/dbraw/zinc/97/94/91/624979491.db2.gz CJDACVMCIPXHAX-QZTJIDSGSA-N 2 2 313.445 3.419 20 0 DGADLP c1cn(C[C@@H]([NH2+]CCOCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000880569064 624979520 /nfs/dbraw/zinc/97/95/20/624979520.db2.gz HIIPBVJHZYIUPK-HXUWFJFHSA-N 2 2 321.424 3.431 20 0 DGADLP O[C@@H](CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880570703 624980058 /nfs/dbraw/zinc/98/00/58/624980058.db2.gz ZMPJFOXBSYWDMZ-UXHICEINSA-N 2 2 321.424 3.338 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000791137655 625755248 /nfs/dbraw/zinc/75/52/48/625755248.db2.gz SMROXZSOHQQFMU-SZMVWBNQSA-N 3 2 312.461 3.396 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194172 625965644 /nfs/dbraw/zinc/96/56/44/625965644.db2.gz PJABCDOXCJOCGQ-KXBFYZLASA-N 2 2 320.452 3.225 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883194172 625965648 /nfs/dbraw/zinc/96/56/48/625965648.db2.gz PJABCDOXCJOCGQ-KXBFYZLASA-N 2 2 320.452 3.225 20 0 DGADLP Cc1[nH+]c2cc(NCc3ncc(C[NH+](C)C)s3)ccc2n1C ZINC000796335395 626039615 /nfs/dbraw/zinc/03/96/15/626039615.db2.gz SKKNQWFGOQTPLX-UHFFFAOYSA-N 2 2 315.446 3.012 20 0 DGADLP Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000796486030 626055819 /nfs/dbraw/zinc/05/58/19/626055819.db2.gz PHTWYVQQLWJZJD-JXFKEZNVSA-N 2 2 321.424 3.392 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1SC(C)(C)C ZINC000798184200 626200577 /nfs/dbraw/zinc/20/05/77/626200577.db2.gz RQYJABDFATYZBZ-UONOGXRCSA-N 2 2 310.507 3.150 20 0 DGADLP CC1(C)CC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)OC1 ZINC000883243176 626621526 /nfs/dbraw/zinc/62/15/26/626621526.db2.gz CYJDQYWAYIEJCN-AWEZNQCLSA-N 2 2 305.447 3.229 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC4(CCC4)O3)c2)c[nH+]1 ZINC000883364064 626662089 /nfs/dbraw/zinc/66/20/89/626662089.db2.gz WNZFNLBNLAQGBR-AWEZNQCLSA-N 2 2 303.431 3.125 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386993 626668844 /nfs/dbraw/zinc/66/88/44/626668844.db2.gz PWLXBWWASALLFG-RDTXWAMCSA-N 2 2 309.417 3.017 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n(C)n1 ZINC000883388001 626669274 /nfs/dbraw/zinc/66/92/74/626669274.db2.gz KDAIQZPEERKGHC-WBVHZDCISA-N 2 2 309.417 3.017 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387919 626669490 /nfs/dbraw/zinc/66/94/90/626669490.db2.gz IGDHPOTWZFBZRQ-YJBOKZPZSA-N 2 2 307.401 3.074 20 0 DGADLP C[C@H](CSCCF)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387884 626669500 /nfs/dbraw/zinc/66/95/00/626669500.db2.gz HGRRIBWWDVXPDM-ZBFHGGJFSA-N 2 2 307.438 3.305 20 0 DGADLP CCCn1nccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397669 626672469 /nfs/dbraw/zinc/67/24/69/626672469.db2.gz SAJWFNBGKBUHNL-GOSISDBHSA-N 2 2 309.417 3.021 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2ccc3c(n2)CCC3)c2ccccc2)c[nH+]1 ZINC000883397721 626672578 /nfs/dbraw/zinc/67/25/78/626672578.db2.gz TWJHRBGQIFFBQS-HXUWFJFHSA-N 2 2 318.424 3.298 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883397774 626672702 /nfs/dbraw/zinc/67/27/02/626672702.db2.gz VILABXNXNMAVGY-UHOSZYNNSA-N 2 2 313.445 3.419 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[NH2+]CCC34CCC4)on2)cc1 ZINC000883458638 626685700 /nfs/dbraw/zinc/68/57/00/626685700.db2.gz RHFJBHOTRDOHJA-UHFFFAOYSA-N 2 2 311.429 3.368 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+]3CC[NH2+]CCC34CCC4)on2)cc1 ZINC000883458638 626685703 /nfs/dbraw/zinc/68/57/03/626685703.db2.gz RHFJBHOTRDOHJA-UHFFFAOYSA-N 2 2 311.429 3.368 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)cn1 ZINC000808378603 626818759 /nfs/dbraw/zinc/81/87/59/626818759.db2.gz UHBQKKRPUBGABK-INIZCTEOSA-N 2 2 312.461 3.084 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C)cn1 ZINC000808378603 626818762 /nfs/dbraw/zinc/81/87/62/626818762.db2.gz UHBQKKRPUBGABK-INIZCTEOSA-N 2 2 312.461 3.084 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCO2 ZINC000810255257 626994089 /nfs/dbraw/zinc/99/40/89/626994089.db2.gz YLEPAJMRLXOYME-HZPDHXFCSA-N 2 2 311.429 3.333 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000885919034 627060124 /nfs/dbraw/zinc/06/01/24/627060124.db2.gz HZXBBNPPZSVSLR-MOPGFXCFSA-N 2 2 313.445 3.369 20 0 DGADLP Cc1n[nH]c(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000885923758 627060803 /nfs/dbraw/zinc/06/08/03/627060803.db2.gz CQIHRYPCOZUMBR-UHFFFAOYSA-N 2 2 312.461 3.089 20 0 DGADLP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000885941416 627065237 /nfs/dbraw/zinc/06/52/37/627065237.db2.gz ALOGVEKUAYKEDT-HOTGVXAUSA-N 2 2 317.408 3.449 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000886011394 627083195 /nfs/dbraw/zinc/08/31/95/627083195.db2.gz ZZDFNGXUFFHHLX-KSSFIOAISA-N 2 2 312.461 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000886011394 627083198 /nfs/dbraw/zinc/08/31/98/627083198.db2.gz ZZDFNGXUFFHHLX-KSSFIOAISA-N 2 2 312.461 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000886012191 627083237 /nfs/dbraw/zinc/08/32/37/627083237.db2.gz BLWMLYLKWXXBEY-KDOFPFPSSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000886012191 627083238 /nfs/dbraw/zinc/08/32/38/627083238.db2.gz BLWMLYLKWXXBEY-KDOFPFPSSA-N 2 2 312.461 3.169 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000886035462 627089813 /nfs/dbraw/zinc/08/98/13/627089813.db2.gz MYEOYGCRZMVUSB-KRWDZBQOSA-N 2 2 313.445 3.373 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000886155743 627114125 /nfs/dbraw/zinc/11/41/25/627114125.db2.gz NLXNVXAPYPYOBV-FGTMMUONSA-N 2 2 306.494 3.475 20 0 DGADLP C1CCC2(CC1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CCO2 ZINC000886155743 627114127 /nfs/dbraw/zinc/11/41/27/627114127.db2.gz NLXNVXAPYPYOBV-FGTMMUONSA-N 2 2 306.494 3.475 20 0 DGADLP CC1(C)CO[C@H](CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000886307443 627134063 /nfs/dbraw/zinc/13/40/63/627134063.db2.gz SLBHRCQQNMJMPK-CQSZACIVSA-N 2 2 305.447 3.229 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000886315556 627135603 /nfs/dbraw/zinc/13/56/03/627135603.db2.gz RXPXDQSKKCKLLR-QXAKKESOSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000886315556 627135605 /nfs/dbraw/zinc/13/56/05/627135605.db2.gz RXPXDQSKKCKLLR-QXAKKESOSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000886315556 627135606 /nfs/dbraw/zinc/13/56/06/627135606.db2.gz RXPXDQSKKCKLLR-QXAKKESOSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000886315556 627135608 /nfs/dbraw/zinc/13/56/08/627135608.db2.gz RXPXDQSKKCKLLR-QXAKKESOSA-N 2 2 302.462 3.008 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnn(C)c1 ZINC000886511444 627155203 /nfs/dbraw/zinc/15/52/03/627155203.db2.gz UCYLOPFVKVWSGT-GOSISDBHSA-N 2 2 309.417 3.093 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)[nH+]c1C ZINC000886659745 627182597 /nfs/dbraw/zinc/18/25/97/627182597.db2.gz UMJUQYLXIFHHOW-UHFFFAOYSA-N 2 2 315.465 3.358 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)[nH+]c1C ZINC000886659026 627182698 /nfs/dbraw/zinc/18/26/98/627182698.db2.gz ARQRMWUVWVPPHN-UHFFFAOYSA-N 2 2 309.417 3.282 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cccnc3Cl)CC2)[nH+]c1C ZINC000886661563 627182998 /nfs/dbraw/zinc/18/29/98/627182998.db2.gz XJUWLSWOEBYRHD-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP c1nc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000886872145 627211870 /nfs/dbraw/zinc/21/18/70/627211870.db2.gz KJWYXLALZTUOIP-LJQANCHMSA-N 2 2 311.429 3.307 20 0 DGADLP c1nc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)oc1-c1ccccc1 ZINC000886872145 627211873 /nfs/dbraw/zinc/21/18/73/627211873.db2.gz KJWYXLALZTUOIP-LJQANCHMSA-N 2 2 311.429 3.307 20 0 DGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000813861848 627516872 /nfs/dbraw/zinc/51/68/72/627516872.db2.gz BKOSRSXTAXTGHF-RVKKMQEKSA-N 2 2 317.477 3.294 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924675761 627665440 /nfs/dbraw/zinc/66/54/40/627665440.db2.gz UZJWLXVTNMKGTQ-LMMKCTJWSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924675761 627665442 /nfs/dbraw/zinc/66/54/42/627665442.db2.gz UZJWLXVTNMKGTQ-LMMKCTJWSA-N 2 2 301.478 3.257 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924696868 627669163 /nfs/dbraw/zinc/66/91/63/627669163.db2.gz QOBRYDKWVPODRH-XEZPLFJOSA-N 2 2 305.853 3.329 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924696868 627669167 /nfs/dbraw/zinc/66/91/67/627669167.db2.gz QOBRYDKWVPODRH-XEZPLFJOSA-N 2 2 305.853 3.329 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(OC)n1 ZINC000924713053 627671211 /nfs/dbraw/zinc/67/12/11/627671211.db2.gz LQXUDNAMDWROHH-MRXNPFEDSA-N 2 2 303.450 3.005 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000924751554 627676427 /nfs/dbraw/zinc/67/64/27/627676427.db2.gz KTHOWTHVAFKMSJ-CJNGLKHVSA-N 2 2 308.853 3.233 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000924751554 627676430 /nfs/dbraw/zinc/67/64/30/627676430.db2.gz KTHOWTHVAFKMSJ-CJNGLKHVSA-N 2 2 308.853 3.233 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c[nH+]1 ZINC000924768566 627677735 /nfs/dbraw/zinc/67/77/35/627677735.db2.gz HBHHFWJRQIAZDS-PKOBYXMFSA-N 2 2 311.429 3.167 20 0 DGADLP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774509 627678604 /nfs/dbraw/zinc/67/86/04/627678604.db2.gz BNZDVWACELCELN-NVXWUHKLSA-N 2 2 317.408 3.162 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000924843868 627686245 /nfs/dbraw/zinc/68/62/45/627686245.db2.gz NBMRAIYJTDWJLY-UHFFFAOYSA-N 3 2 307.526 3.103 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccc(C)c1)c1ccccn1 ZINC000924874988 627689892 /nfs/dbraw/zinc/68/98/92/627689892.db2.gz XUPABOICZJDBGM-IBGZPJMESA-N 2 2 306.413 3.274 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924885038 627690426 /nfs/dbraw/zinc/69/04/26/627690426.db2.gz BLNCMSSHHFNTOI-GOEBONIOSA-N 2 2 312.461 3.111 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)[nH+]c1 ZINC000924927281 627693992 /nfs/dbraw/zinc/69/39/92/627693992.db2.gz OROSGSIGOHEJDY-WMZOPIPTSA-N 2 2 303.450 3.069 20 0 DGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000924926695 627694155 /nfs/dbraw/zinc/69/41/55/627694155.db2.gz MKEWRXHPVMUIAT-DLBZAZTESA-N 2 2 305.466 3.195 20 0 DGADLP c1ccc(NCCCC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)[nH+]c1 ZINC000924928516 627694624 /nfs/dbraw/zinc/69/46/24/627694624.db2.gz XKXYPQMQHRONJQ-AEFFLSMTSA-N 2 2 303.450 3.069 20 0 DGADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000924928461 627694850 /nfs/dbraw/zinc/69/48/50/627694850.db2.gz WORKTLBJGIGOLN-AWEZNQCLSA-N 2 2 300.406 3.237 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925011453 627701277 /nfs/dbraw/zinc/70/12/77/627701277.db2.gz QGXGHWCLAYFQLA-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925011453 627701279 /nfs/dbraw/zinc/70/12/79/627701279.db2.gz QGXGHWCLAYFQLA-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000925235342 627721977 /nfs/dbraw/zinc/72/19/77/627721977.db2.gz SSKAUBAYBMCWFP-FHWLQOOXSA-N 2 2 301.478 3.428 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000925235342 627721979 /nfs/dbraw/zinc/72/19/79/627721979.db2.gz SSKAUBAYBMCWFP-FHWLQOOXSA-N 2 2 301.478 3.428 20 0 DGADLP C[C@@H]([NH3+])[C@H](NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000925531840 627748852 /nfs/dbraw/zinc/74/88/52/627748852.db2.gz BBXJVCWMILCIKU-UZLBHIALSA-N 2 2 320.440 3.110 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925547448 627751998 /nfs/dbraw/zinc/75/19/98/627751998.db2.gz VMMMKZVVBNYANP-LJQANCHMSA-N 3 2 315.505 3.291 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925547448 627752000 /nfs/dbraw/zinc/75/20/00/627752000.db2.gz VMMMKZVVBNYANP-LJQANCHMSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553008 627752676 /nfs/dbraw/zinc/75/26/76/627752676.db2.gz MISIXDGOSZCKLV-AOIWGVFYSA-N 3 2 303.494 3.319 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925553008 627752677 /nfs/dbraw/zinc/75/26/77/627752677.db2.gz MISIXDGOSZCKLV-AOIWGVFYSA-N 3 2 303.494 3.319 20 0 DGADLP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccc2ccccc2c1 ZINC000925569200 627756301 /nfs/dbraw/zinc/75/63/01/627756301.db2.gz ZLSVQYMLOVKZRU-RBUKOAKNSA-N 2 2 310.441 3.138 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925572758 627756842 /nfs/dbraw/zinc/75/68/42/627756842.db2.gz JTVNXFPQKXXTMJ-SPLQCWDRSA-N 2 2 316.420 3.316 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925571175 627756919 /nfs/dbraw/zinc/75/69/19/627756919.db2.gz ZTRHZPHJQNKXRW-LJQANCHMSA-N 3 2 315.505 3.291 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925571175 627756921 /nfs/dbraw/zinc/75/69/21/627756921.db2.gz ZTRHZPHJQNKXRW-LJQANCHMSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925579211 627757905 /nfs/dbraw/zinc/75/79/05/627757905.db2.gz DCHIYYCRDCWTHO-JQWIXIFHSA-N 2 2 309.866 3.222 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c[nH+]1 ZINC000925608549 627761855 /nfs/dbraw/zinc/76/18/55/627761855.db2.gz ZYFHTPNJSKLRQP-RBUKOAKNSA-N 3 2 324.472 3.130 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c[nH+]1 ZINC000925608548 627762003 /nfs/dbraw/zinc/76/20/03/627762003.db2.gz ZYFHTPNJSKLRQP-OALUTQOASA-N 3 2 324.472 3.130 20 0 DGADLP c1cn(C2CCCC2)nc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925616541 627763512 /nfs/dbraw/zinc/76/35/12/627763512.db2.gz MTZWTCMEJOQMKP-MOPGFXCFSA-N 2 2 316.493 3.256 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000925632113 627765772 /nfs/dbraw/zinc/76/57/72/627765772.db2.gz ZZOFOBHIVGOAQC-JECHBYEQSA-N 2 2 322.811 3.191 20 0 DGADLP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccccc2)cc1 ZINC000925638745 627767156 /nfs/dbraw/zinc/76/71/56/627767156.db2.gz GQEUYBXROKIHNE-PMACEKPBSA-N 2 2 322.452 3.261 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccccc1 ZINC000925639703 627767595 /nfs/dbraw/zinc/76/75/95/627767595.db2.gz MRVAIJLBHXVSAW-VHSSKADRSA-N 2 2 318.848 3.226 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c2ccccn2)cc1 ZINC000925662946 627772680 /nfs/dbraw/zinc/77/26/80/627772680.db2.gz MOCNGYURDZRODA-FHWLQOOXSA-N 2 2 307.441 3.339 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925676162 627775234 /nfs/dbraw/zinc/77/52/34/627775234.db2.gz YISCALBFMROPIH-GMBSWORKSA-N 2 2 313.420 3.083 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([N@@H+]1CCc3sc(C[NH3+])nc3C1)[C@@H](C)C2 ZINC000925746478 627786088 /nfs/dbraw/zinc/78/60/88/627786088.db2.gz BYYJJECXDRBTKM-SGTLLEGYSA-N 2 2 313.470 3.202 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([N@H+]1CCc3sc(C[NH3+])nc3C1)[C@@H](C)C2 ZINC000925746478 627786091 /nfs/dbraw/zinc/78/60/91/627786091.db2.gz BYYJJECXDRBTKM-SGTLLEGYSA-N 2 2 313.470 3.202 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([N@@H+]1CCc3sc(C[NH3+])nc3C1)CCC2 ZINC000925748345 627786479 /nfs/dbraw/zinc/78/64/79/627786479.db2.gz OYMYTQOEYDDLQP-INIZCTEOSA-N 2 2 313.470 3.346 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([N@H+]1CCc3sc(C[NH3+])nc3C1)CCC2 ZINC000925748345 627786480 /nfs/dbraw/zinc/78/64/80/627786480.db2.gz OYMYTQOEYDDLQP-INIZCTEOSA-N 2 2 313.470 3.346 20 0 DGADLP CC[C@H](c1ccc(C)cc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752356 627787388 /nfs/dbraw/zinc/78/73/88/627787388.db2.gz UAPUFRXAUJTBJF-OAHLLOKOSA-N 2 2 301.459 3.420 20 0 DGADLP CC[C@H](c1ccc(C)cc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752356 627787393 /nfs/dbraw/zinc/78/73/93/627787393.db2.gz UAPUFRXAUJTBJF-OAHLLOKOSA-N 2 2 301.459 3.420 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc21 ZINC000925794513 627796692 /nfs/dbraw/zinc/79/66/92/627796692.db2.gz LSONXVSIRHKURR-GPMSIDNRSA-N 2 2 314.473 3.373 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925794727 627796766 /nfs/dbraw/zinc/79/67/66/627796766.db2.gz IOVJRHATDKNFJV-ZWKOTPCHSA-N 2 2 318.436 3.025 20 0 DGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925801041 627797043 /nfs/dbraw/zinc/79/70/43/627797043.db2.gz YVPDKFMYHNWUAP-RBUKOAKNSA-N 2 2 314.473 3.276 20 0 DGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000925813135 627798963 /nfs/dbraw/zinc/79/89/63/627798963.db2.gz QSDOTZVKWLPADY-RYUDHWBXSA-N 2 2 303.631 3.072 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000925813134 627799039 /nfs/dbraw/zinc/79/90/39/627799039.db2.gz QSDOTZVKWLPADY-NWDGAFQWSA-N 2 2 303.631 3.072 20 0 DGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925815503 627799615 /nfs/dbraw/zinc/79/96/15/627799615.db2.gz XNXLHRPYJJAKJB-AZUAARDMSA-N 2 2 318.424 3.281 20 0 DGADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925826436 627800830 /nfs/dbraw/zinc/80/08/30/627800830.db2.gz MRZVTXDOVZDABK-GNKFGYDMSA-N 2 2 310.441 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1nc2c(s1)CCCC2 ZINC000925839888 627804493 /nfs/dbraw/zinc/80/44/93/627804493.db2.gz FRELEBHNADHMKM-XGWLTEMNSA-N 2 2 305.491 3.205 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000926119658 627846878 /nfs/dbraw/zinc/84/68/78/627846878.db2.gz OLLYXTGIUXVVTC-PMPSAXMXSA-N 2 2 319.497 3.163 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119658 627846883 /nfs/dbraw/zinc/84/68/83/627846883.db2.gz OLLYXTGIUXVVTC-PMPSAXMXSA-N 2 2 319.497 3.163 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)cc1 ZINC000926228322 627866561 /nfs/dbraw/zinc/86/65/61/627866561.db2.gz GQGFLMBRTZPYJE-ICSRJNTNSA-N 2 2 318.424 3.281 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288175 627874654 /nfs/dbraw/zinc/87/46/54/627874654.db2.gz RDADSXOEXFLGAM-VQIMIIECSA-N 2 2 317.477 3.013 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccn2)C2CCC2)CCCO1 ZINC000926288175 627874657 /nfs/dbraw/zinc/87/46/57/627874657.db2.gz RDADSXOEXFLGAM-VQIMIIECSA-N 2 2 317.477 3.013 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](c2ccccc2F)[C@H](C)O)CC1 ZINC000926644208 627926569 /nfs/dbraw/zinc/92/65/69/627926569.db2.gz KGKGKDQJCXLXOF-KXBFYZLASA-N 2 2 322.468 3.348 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000926762039 627948861 /nfs/dbraw/zinc/94/88/61/627948861.db2.gz KUJQSUDQLRFCQM-DBVUQKKJSA-N 2 2 313.489 3.399 20 0 DGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)nc1 ZINC000926762039 627948864 /nfs/dbraw/zinc/94/88/64/627948864.db2.gz KUJQSUDQLRFCQM-DBVUQKKJSA-N 2 2 313.489 3.399 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000817892991 627953834 /nfs/dbraw/zinc/95/38/34/627953834.db2.gz XGFVGSNHTZPOLE-ZIAGYGMSSA-N 2 2 315.230 3.338 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1csc2ccccc12 ZINC000817899832 627955882 /nfs/dbraw/zinc/95/58/82/627955882.db2.gz QIWXRSQEVJNSSQ-RDBSUJKOSA-N 2 2 304.459 3.319 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817905781 627958275 /nfs/dbraw/zinc/95/82/75/627958275.db2.gz SXLDOHLLLAHFSH-ONERCXAPSA-N 2 2 317.260 3.147 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906393 627958774 /nfs/dbraw/zinc/95/87/74/627958774.db2.gz ZLDCGLVCKGXRKY-RDBSUJKOSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000817919763 627961406 /nfs/dbraw/zinc/96/14/06/627961406.db2.gz VUUYWPAZHXTLJQ-YJKIEOBBSA-N 2 2 317.260 3.145 20 0 DGADLP C[C@@H]1CC2(CC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)C2)CO1 ZINC000926863339 627966036 /nfs/dbraw/zinc/96/60/36/627966036.db2.gz KNEIWPVCCYIHKU-ZTRSQXPZSA-N 2 2 311.429 3.172 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000817962560 627976815 /nfs/dbraw/zinc/97/68/15/627976815.db2.gz KHYCHUAJBZLZOC-GOEBONIOSA-N 2 2 300.450 3.349 20 0 DGADLP Fc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489612 628568090 /nfs/dbraw/zinc/56/80/90/628568090.db2.gz JMUSJLDQJKZLGQ-SWLSCSKDSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccnc1Cl ZINC000823489612 628568091 /nfs/dbraw/zinc/56/80/91/628568091.db2.gz JMUSJLDQJKZLGQ-SWLSCSKDSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccnc1Cl ZINC000823489612 628568094 /nfs/dbraw/zinc/56/80/94/628568094.db2.gz JMUSJLDQJKZLGQ-SWLSCSKDSA-N 2 2 323.843 3.323 20 0 DGADLP Fc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccnc1Cl ZINC000823489612 628568095 /nfs/dbraw/zinc/56/80/95/628568095.db2.gz JMUSJLDQJKZLGQ-SWLSCSKDSA-N 2 2 323.843 3.323 20 0 DGADLP Cn1nc(C2CC2)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000823596248 628578405 /nfs/dbraw/zinc/57/84/05/628578405.db2.gz JGPBSEDYTCMUQA-UHFFFAOYSA-N 2 2 324.472 3.052 20 0 DGADLP COc1cc(C)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000823677165 628586323 /nfs/dbraw/zinc/58/63/23/628586323.db2.gz RAWDVYIYPAXEFB-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000823943897 628612410 /nfs/dbraw/zinc/61/24/10/628612410.db2.gz QGBQMWLFBVFBQO-KBMXLJTQSA-N 2 2 301.459 3.045 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2sccc21 ZINC000834571948 629730830 /nfs/dbraw/zinc/73/08/30/629730830.db2.gz YBOHJCCYWLSTKC-KQTLUZQSSA-N 2 2 306.475 3.139 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2sccc21 ZINC000834571948 629730837 /nfs/dbraw/zinc/73/08/37/629730837.db2.gz YBOHJCCYWLSTKC-KQTLUZQSSA-N 2 2 306.475 3.139 20 0 DGADLP Cc1cc([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC1CCOCC1 ZINC000841092795 630406611 /nfs/dbraw/zinc/40/66/11/630406611.db2.gz GUXYYHAEPHYNQU-HZPDHXFCSA-N 2 2 318.461 3.353 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000841093087 630406874 /nfs/dbraw/zinc/40/68/74/630406874.db2.gz QPCLJXRXMRJQTB-UHFFFAOYSA-N 2 2 318.852 3.066 20 0 DGADLP CC(C)C[C@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000843177783 630626977 /nfs/dbraw/zinc/62/69/77/630626977.db2.gz GKZLHNLIDZPTSL-HNNXBMFYSA-N 2 2 311.389 3.027 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000846945448 631361846 /nfs/dbraw/zinc/36/18/46/631361846.db2.gz NOINEDCEHDEDQT-UHFFFAOYSA-N 2 2 318.505 3.210 20 0 DGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848527003 631677603 /nfs/dbraw/zinc/67/76/03/631677603.db2.gz OROYMISCUAHVOB-WMLDXEAASA-N 2 2 322.880 3.114 20 0 DGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccn1 ZINC000848527500 631678961 /nfs/dbraw/zinc/67/89/61/631678961.db2.gz CAFVFMAUVRCSKE-MJGOQNOKSA-N 2 2 317.477 3.012 20 0 DGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599967 631704907 /nfs/dbraw/zinc/70/49/07/631704907.db2.gz VKNNAJMWOSQBPK-JTQLQIEISA-N 2 2 310.228 3.322 20 0 DGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599967 631704910 /nfs/dbraw/zinc/70/49/10/631704910.db2.gz VKNNAJMWOSQBPK-JTQLQIEISA-N 2 2 310.228 3.322 20 0 DGADLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849013787 631807139 /nfs/dbraw/zinc/80/71/39/631807139.db2.gz HNEWHDSFUCJXKR-BBRMVZONSA-N 2 2 322.884 3.389 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000850174781 632072226 /nfs/dbraw/zinc/07/22/26/632072226.db2.gz UQUAZIITHOUQSW-KBPBESRZSA-N 2 2 316.367 3.390 20 0 DGADLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000850426592 632149290 /nfs/dbraw/zinc/14/92/90/632149290.db2.gz WSFJNYVCFUIJOP-CABCVRRESA-N 2 2 323.481 3.255 20 0 DGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC000851947249 632528101 /nfs/dbraw/zinc/52/81/01/632528101.db2.gz PKNSTVGJIMXCAQ-CHWSQXEVSA-N 2 2 309.281 3.032 20 0 DGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC000851947249 632528106 /nfs/dbraw/zinc/52/81/06/632528106.db2.gz PKNSTVGJIMXCAQ-CHWSQXEVSA-N 2 2 309.281 3.032 20 0 DGADLP COCC[N@H+](CCF)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000852480497 632609375 /nfs/dbraw/zinc/60/93/75/632609375.db2.gz YBJDYXYGNCJHQJ-UHFFFAOYSA-N 2 2 308.441 3.090 20 0 DGADLP COCC[N@@H+](CCF)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000852480497 632609376 /nfs/dbraw/zinc/60/93/76/632609376.db2.gz YBJDYXYGNCJHQJ-UHFFFAOYSA-N 2 2 308.441 3.090 20 0 DGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1O ZINC000184837574 660189618 /nfs/dbraw/zinc/18/96/18/660189618.db2.gz AFEIUAMNPBRJPF-NSHDSACASA-N 2 2 324.222 3.092 20 0 DGADLP CCC[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001034695723 660783772 /nfs/dbraw/zinc/78/37/72/660783772.db2.gz CSIXZXDMYZBGJJ-WKILWMFISA-N 2 2 303.450 3.047 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001036429363 660904743 /nfs/dbraw/zinc/90/47/43/660904743.db2.gz ZRUNFIVCFCKVMS-WBVHZDCISA-N 2 2 317.477 3.246 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000708522370 660924206 /nfs/dbraw/zinc/92/42/06/660924206.db2.gz VXZFJFFTVXXDLM-RHSMWYFYSA-N 2 2 315.486 3.309 20 0 DGADLP Cc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000708522370 660924209 /nfs/dbraw/zinc/92/42/09/660924209.db2.gz VXZFJFFTVXXDLM-RHSMWYFYSA-N 2 2 315.486 3.309 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccnc1F ZINC000793285339 661021172 /nfs/dbraw/zinc/02/11/72/661021172.db2.gz UIKYQYYUFSTXBG-UHFFFAOYSA-N 2 2 315.436 3.469 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccnc1F ZINC000793285339 661021173 /nfs/dbraw/zinc/02/11/73/661021173.db2.gz UIKYQYYUFSTXBG-UHFFFAOYSA-N 2 2 315.436 3.469 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2F)CC[N@@H+]1Cc1ccccc1 ZINC000793289225 661021555 /nfs/dbraw/zinc/02/15/55/661021555.db2.gz LJRANYNHTYKUKI-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2F)CC[N@H+]1Cc1ccccc1 ZINC000793289225 661021557 /nfs/dbraw/zinc/02/15/57/661021557.db2.gz LJRANYNHTYKUKI-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000261924935 655699089 /nfs/dbraw/zinc/69/90/89/655699089.db2.gz ILAYCWZLPBKBCD-CQSZACIVSA-N 2 2 320.824 3.093 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000261924935 655699090 /nfs/dbraw/zinc/69/90/90/655699090.db2.gz ILAYCWZLPBKBCD-CQSZACIVSA-N 2 2 320.824 3.093 20 0 DGADLP CCC[N@H+](Cc1cn[nH]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188664 655754486 /nfs/dbraw/zinc/75/44/86/655754486.db2.gz NFDISSLKSZNLFY-UHFFFAOYSA-N 2 2 312.461 3.286 20 0 DGADLP CCC[N@@H+](Cc1cn[nH]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188664 655754487 /nfs/dbraw/zinc/75/44/87/655754487.db2.gz NFDISSLKSZNLFY-UHFFFAOYSA-N 2 2 312.461 3.286 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000044533181 655772963 /nfs/dbraw/zinc/77/29/63/655772963.db2.gz ICVNHUKISBNZNS-NSHDSACASA-N 2 2 304.406 3.167 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000044533181 655772965 /nfs/dbraw/zinc/77/29/65/655772965.db2.gz ICVNHUKISBNZNS-NSHDSACASA-N 2 2 304.406 3.167 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262312615 655813565 /nfs/dbraw/zinc/81/35/65/655813565.db2.gz PYSBJGMCBQIDDI-JMSVASOKSA-N 2 2 316.367 3.123 20 0 DGADLP CCc1onc(C)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000892749885 656035348 /nfs/dbraw/zinc/03/53/48/656035348.db2.gz GMJCOFYZMQWQAC-UHFFFAOYSA-N 2 2 305.466 3.290 20 0 DGADLP Cc1cc(NC2CC([NH+]3CCCCC3)C2)nc(C2CCC2)[nH+]1 ZINC000893624906 656595807 /nfs/dbraw/zinc/59/58/07/656595807.db2.gz OJSMVISPRKBQIS-UHFFFAOYSA-N 2 2 300.450 3.481 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC000981235303 656655686 /nfs/dbraw/zinc/65/56/86/656655686.db2.gz OLTPPGGOEWGXBZ-DLBZAZTESA-N 2 2 315.461 3.047 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC([C@@H](C)[NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC001029122658 657313389 /nfs/dbraw/zinc/31/33/89/657313389.db2.gz IIQHVFFVLDQRMH-OAHLLOKOSA-N 2 2 317.477 3.246 20 0 DGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cccnc43)CC2)cc1 ZINC000303801274 657565782 /nfs/dbraw/zinc/56/57/82/657565782.db2.gz YPBONLXSCGIWQY-LJQANCHMSA-N 2 2 307.441 3.323 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000320766688 657839955 /nfs/dbraw/zinc/83/99/55/657839955.db2.gz KJBLHVXTCJMNBQ-VDGAXYAQSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000320766688 657839964 /nfs/dbraw/zinc/83/99/64/657839964.db2.gz KJBLHVXTCJMNBQ-VDGAXYAQSA-N 2 2 316.489 3.399 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@@H+](C)C(C)C)C2)c(C)[nH+]1 ZINC001017168728 658401613 /nfs/dbraw/zinc/40/16/13/658401613.db2.gz RRSNUROBGPBIDQ-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@H+](C)C(C)C)C2)c(C)[nH+]1 ZINC001017168728 658401616 /nfs/dbraw/zinc/40/16/16/658401616.db2.gz RRSNUROBGPBIDQ-QGZVFWFLSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@@H+](C)C(C)C)C2)c(C)[nH+]1 ZINC001017168727 658401736 /nfs/dbraw/zinc/40/17/36/658401736.db2.gz RRSNUROBGPBIDQ-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@H+](C)C(C)C)C2)c(C)[nH+]1 ZINC001017168727 658401740 /nfs/dbraw/zinc/40/17/40/658401740.db2.gz RRSNUROBGPBIDQ-KRWDZBQOSA-N 2 2 317.477 3.199 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171734305 659296738 /nfs/dbraw/zinc/29/67/38/659296738.db2.gz RZBPSNGZUPAOKQ-AWEZNQCLSA-N 2 2 315.417 3.082 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccsc2S1 ZINC000250902370 660002217 /nfs/dbraw/zinc/00/22/17/660002217.db2.gz OHGHWVIBSJVNOR-XPCVCDNBSA-N 2 2 324.515 3.126 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccsc2S1 ZINC000250902370 660002220 /nfs/dbraw/zinc/00/22/20/660002220.db2.gz OHGHWVIBSJVNOR-XPCVCDNBSA-N 2 2 324.515 3.126 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)CC2 ZINC000931516065 661484648 /nfs/dbraw/zinc/48/46/48/661484648.db2.gz GYHSMFVZXWTQOX-RHSMWYFYSA-N 2 2 315.367 3.071 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719763 661502155 /nfs/dbraw/zinc/50/21/55/661502155.db2.gz NLBRDQVFNKVWLX-ZGXWSNOMSA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719763 661502156 /nfs/dbraw/zinc/50/21/56/661502156.db2.gz NLBRDQVFNKVWLX-ZGXWSNOMSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719763 661502157 /nfs/dbraw/zinc/50/21/57/661502157.db2.gz NLBRDQVFNKVWLX-ZGXWSNOMSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719763 661502158 /nfs/dbraw/zinc/50/21/58/661502158.db2.gz NLBRDQVFNKVWLX-ZGXWSNOMSA-N 2 2 314.473 3.465 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)c[nH+]1 ZINC000933654961 661648577 /nfs/dbraw/zinc/64/85/77/661648577.db2.gz BDLSAGABIDHPGO-LJQANCHMSA-N 2 2 309.413 3.214 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)c[nH+]1 ZINC000933654961 661648578 /nfs/dbraw/zinc/64/85/78/661648578.db2.gz BDLSAGABIDHPGO-LJQANCHMSA-N 2 2 309.413 3.214 20 0 DGADLP CCC[N@H+](CC1(C)COC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185605 661685360 /nfs/dbraw/zinc/68/53/60/661685360.db2.gz NANRLBGGCAXBEJ-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP CCC[N@@H+](CC1(C)COC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185605 661685362 /nfs/dbraw/zinc/68/53/62/661685362.db2.gz NANRLBGGCAXBEJ-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)Cc1cccnc1 ZINC000934231491 661690241 /nfs/dbraw/zinc/69/02/41/661690241.db2.gz UGKFJGMCBSHZBA-INIZCTEOSA-N 2 2 306.413 3.297 20 0 DGADLP c1csc(C[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000934335107 661698902 /nfs/dbraw/zinc/69/89/02/661698902.db2.gz HAMATCKOSSFCGX-INIZCTEOSA-N 2 2 324.453 3.393 20 0 DGADLP c1csc(C[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000934335107 661698903 /nfs/dbraw/zinc/69/89/03/661698903.db2.gz HAMATCKOSSFCGX-INIZCTEOSA-N 2 2 324.453 3.393 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000076398186 661980768 /nfs/dbraw/zinc/98/07/68/661980768.db2.gz DXBZKIPLPCALAC-GFCCVEGCSA-N 2 2 313.323 3.208 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192929584 662116330 /nfs/dbraw/zinc/11/63/30/662116330.db2.gz ITASWQSTGAGYAK-BEFAXECRSA-N 2 2 307.397 3.257 20 0 DGADLP C1=CO[C@@H](C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000194435809 662165707 /nfs/dbraw/zinc/16/57/07/662165707.db2.gz GCGGFKFLPRQPFY-MRXNPFEDSA-N 2 2 310.507 3.020 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000247253619 662304922 /nfs/dbraw/zinc/30/49/22/662304922.db2.gz ZVSCAYJIOHFFPH-ICSRJNTNSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000247253619 662304923 /nfs/dbraw/zinc/30/49/23/662304923.db2.gz ZVSCAYJIOHFFPH-ICSRJNTNSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2)cc1 ZINC000247253619 662304925 /nfs/dbraw/zinc/30/49/25/662304925.db2.gz ZVSCAYJIOHFFPH-ICSRJNTNSA-N 2 2 324.472 3.232 20 0 DGADLP Cc1ccc(-c2cnn(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2)cc1 ZINC000247253619 662304927 /nfs/dbraw/zinc/30/49/27/662304927.db2.gz ZVSCAYJIOHFFPH-ICSRJNTNSA-N 2 2 324.472 3.232 20 0 DGADLP COc1cccc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)oc21 ZINC000093865847 662360751 /nfs/dbraw/zinc/36/07/51/662360751.db2.gz MLURBDBKLIQIBZ-MRXNPFEDSA-N 2 2 324.380 3.490 20 0 DGADLP COc1cc(F)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000093970527 662361826 /nfs/dbraw/zinc/36/18/26/662361826.db2.gz OCPJTCASHDTXGV-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000387847890 685186255 /nfs/dbraw/zinc/18/62/55/685186255.db2.gz BBUSJZRXRNZWGB-IXDOHACOSA-N 3 2 306.498 3.198 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576502381 1191831141 /nfs/dbraw/zinc/83/11/41/1191831141.db2.gz BQECUKMLRWXJEQ-QFBILLFUSA-N 3 2 318.509 3.207 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001576502381 1191831149 /nfs/dbraw/zinc/83/11/49/1191831149.db2.gz BQECUKMLRWXJEQ-QFBILLFUSA-N 3 2 318.509 3.207 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C[NH3+] ZINC001576709841 1191865094 /nfs/dbraw/zinc/86/50/94/1191865094.db2.gz WGAKCBXIGYOOIH-YLJYHZDGSA-N 3 2 315.505 3.232 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1C[NH3+] ZINC001576709841 1191865097 /nfs/dbraw/zinc/86/50/97/1191865097.db2.gz WGAKCBXIGYOOIH-YLJYHZDGSA-N 3 2 315.505 3.232 20 0 DGADLP CC[C@H]([NH3+])C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC001577124747 1191885198 /nfs/dbraw/zinc/88/51/98/1191885198.db2.gz OKQCAQPLHXMEHQ-LBPRGKRZSA-N 2 2 301.217 3.096 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC001578275339 1191936699 /nfs/dbraw/zinc/93/66/99/1191936699.db2.gz JBDFPQSGEATOEQ-SQNIBIBYSA-N 2 2 304.478 3.432 20 0 DGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001578589795 1191948935 /nfs/dbraw/zinc/94/89/35/1191948935.db2.gz JARRMQXPGNSPPR-HNNXBMFYSA-N 2 2 314.433 3.143 20 0 DGADLP CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001578901227 1191961002 /nfs/dbraw/zinc/96/10/02/1191961002.db2.gz PTLOWKRWHQSARJ-FGTMMUONSA-N 2 2 308.441 3.003 20 0 DGADLP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001578901227 1191961003 /nfs/dbraw/zinc/96/10/03/1191961003.db2.gz PTLOWKRWHQSARJ-FGTMMUONSA-N 2 2 308.441 3.003 20 0 DGADLP Cc1c2cccc(Cl)c2sc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC001579531832 1191978313 /nfs/dbraw/zinc/97/83/13/1191978313.db2.gz CBFFZUXAWPCKBP-LBPRGKRZSA-N 2 2 324.877 3.413 20 0 DGADLP Cc1c2cccc(Cl)c2sc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC001579531832 1191978315 /nfs/dbraw/zinc/97/83/15/1191978315.db2.gz CBFFZUXAWPCKBP-LBPRGKRZSA-N 2 2 324.877 3.413 20 0 DGADLP CC(C)COCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001660677664 1196511654 /nfs/dbraw/zinc/51/16/54/1196511654.db2.gz PWOYXZKXWFUVDL-MRXNPFEDSA-N 2 2 307.482 3.490 20 0 DGADLP CC(C)COCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001660677664 1196511657 /nfs/dbraw/zinc/51/16/57/1196511657.db2.gz PWOYXZKXWFUVDL-MRXNPFEDSA-N 2 2 307.482 3.490 20 0 DGADLP Cc1[nH+]cc(CNc2ccc(OCC[NH3+])cc2)n1-c1ccccc1 ZINC001579878377 1191997772 /nfs/dbraw/zinc/99/77/72/1191997772.db2.gz ORHKNMVPIRWLLU-UHFFFAOYSA-N 2 2 322.412 3.130 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157698 1192011019 /nfs/dbraw/zinc/01/10/19/1192011019.db2.gz KIBGBOASTKLHCM-QFBILLFUSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(Oc3ccccn3)c1)C2 ZINC001580157698 1192011021 /nfs/dbraw/zinc/01/10/21/1192011021.db2.gz KIBGBOASTKLHCM-QFBILLFUSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+]C[C@@]12C[N@H+](Cc3cncc(C(F)(F)F)c3)C[C@H]1CCCC2 ZINC001580254268 1192015948 /nfs/dbraw/zinc/01/59/48/1192015948.db2.gz CJCDLSYWVMSGDO-HIFRSBDPSA-N 2 2 313.367 3.051 20 0 DGADLP [NH3+]C[C@@]12C[N@@H+](Cc3cncc(C(F)(F)F)c3)C[C@H]1CCCC2 ZINC001580254268 1192015951 /nfs/dbraw/zinc/01/59/51/1192015951.db2.gz CJCDLSYWVMSGDO-HIFRSBDPSA-N 2 2 313.367 3.051 20 0 DGADLP C[C@@H](CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1)[NH+]1CCCCC1 ZINC001620897936 1192562293 /nfs/dbraw/zinc/56/22/93/1192562293.db2.gz CEBWAEHYDQYNOS-INIZCTEOSA-N 2 2 312.461 3.431 20 0 DGADLP Fc1cc(Cl)ccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001620908412 1192577950 /nfs/dbraw/zinc/57/79/50/1192577950.db2.gz BXJRZJOJHCSPAX-UHFFFAOYSA-N 2 2 316.767 3.350 20 0 DGADLP COCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000378879975 1176748176 /nfs/dbraw/zinc/74/81/76/1176748176.db2.gz FPRITOFMSPRFRV-KRWDZBQOSA-N 2 2 301.434 3.234 20 0 DGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)o1 ZINC000378958476 1176759163 /nfs/dbraw/zinc/75/91/63/1176759163.db2.gz WHPHOOKZQJAMIU-VXGBXAGGSA-N 2 2 315.255 3.443 20 0 DGADLP CCc1cc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000671 1177014732 /nfs/dbraw/zinc/01/47/32/1177014732.db2.gz VVBICLCLMIVKMK-RDTXWAMCSA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000398000671 1177014742 /nfs/dbraw/zinc/01/47/42/1177014742.db2.gz VVBICLCLMIVKMK-RDTXWAMCSA-N 2 2 310.445 3.422 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)[nH+]c1C ZINC001332078049 1178354825 /nfs/dbraw/zinc/35/48/25/1178354825.db2.gz UVPGJSWBERQJQO-HUUCEWRRSA-N 2 2 312.417 3.150 20 0 DGADLP CCC[C@@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC001333001474 1178537713 /nfs/dbraw/zinc/53/77/13/1178537713.db2.gz YAWCKKGNRQNSLV-IRXDYDNUSA-N 2 2 301.434 3.109 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001333840483 1178682977 /nfs/dbraw/zinc/68/29/77/1178682977.db2.gz FXKYMTIQAILYFA-NLWGTHIKSA-N 3 2 324.472 3.034 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001333840483 1178682981 /nfs/dbraw/zinc/68/29/81/1178682981.db2.gz FXKYMTIQAILYFA-NLWGTHIKSA-N 3 2 324.472 3.034 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001333840484 1178683130 /nfs/dbraw/zinc/68/31/30/1178683130.db2.gz FXKYMTIQAILYFA-QWFCFKBJSA-N 3 2 324.472 3.034 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC001333840484 1178683133 /nfs/dbraw/zinc/68/31/33/1178683133.db2.gz FXKYMTIQAILYFA-QWFCFKBJSA-N 3 2 324.472 3.034 20 0 DGADLP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)c(F)c1 ZINC001334173535 1178730792 /nfs/dbraw/zinc/73/07/92/1178730792.db2.gz RXAUVYLYCURMSU-OGVSOVDVSA-N 2 2 306.400 3.285 20 0 DGADLP Fc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)c(F)c1 ZINC001334173535 1178730794 /nfs/dbraw/zinc/73/07/94/1178730794.db2.gz RXAUVYLYCURMSU-OGVSOVDVSA-N 2 2 306.400 3.285 20 0 DGADLP COc1ccccc1C[C@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)C(C)C ZINC001334772808 1178795175 /nfs/dbraw/zinc/79/51/75/1178795175.db2.gz SAXHFDHFSOFFDK-INIZCTEOSA-N 2 2 301.434 3.392 20 0 DGADLP Cc1c[nH+]c2ccccc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001335587559 1178933723 /nfs/dbraw/zinc/93/37/23/1178933723.db2.gz CWTZOSYRVINBSW-HNNXBMFYSA-N 2 2 304.397 3.051 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001335766154 1178950841 /nfs/dbraw/zinc/95/08/41/1178950841.db2.gz UZNXUPNQJCFPHX-OBJOEFQTSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnsc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001335766154 1178950845 /nfs/dbraw/zinc/95/08/45/1178950845.db2.gz UZNXUPNQJCFPHX-OBJOEFQTSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ncccc2C)cc1F ZINC001342118190 1179106097 /nfs/dbraw/zinc/10/60/97/1179106097.db2.gz IGCPURXGPSPJMR-UHFFFAOYSA-N 2 2 310.376 3.313 20 0 DGADLP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001342323966 1179130042 /nfs/dbraw/zinc/13/00/42/1179130042.db2.gz DWDAJPXZSMDMKV-SLFFLAALSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH2+][C@H](C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001349886557 1179972962 /nfs/dbraw/zinc/97/29/62/1179972962.db2.gz UMZSBTLURKTHHS-CYBMUJFWSA-N 2 2 300.406 3.020 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001350720968 1180110955 /nfs/dbraw/zinc/11/09/55/1180110955.db2.gz OIYUKZPBHYZHEH-AWEZNQCLSA-N 2 2 310.401 3.485 20 0 DGADLP COc1ccc2[nH+]ccc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC001351976469 1180271968 /nfs/dbraw/zinc/27/19/68/1180271968.db2.gz VTZUMWCKLWOGRC-CQSZACIVSA-N 2 2 308.385 3.281 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001365323943 1181683471 /nfs/dbraw/zinc/68/34/71/1181683471.db2.gz LMKCFGKTCYTTDI-UHFFFAOYSA-N 2 2 311.429 3.001 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1Nc1cc[nH+]cc1)n1cc[nH+]c1 ZINC001448781281 1182214602 /nfs/dbraw/zinc/21/46/02/1182214602.db2.gz PIXGTHZOVQOTOF-CQSZACIVSA-N 2 2 321.384 3.033 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459939700 1182631399 /nfs/dbraw/zinc/63/13/99/1182631399.db2.gz UYEMHSXPJQYFOM-GXTWGEPZSA-N 2 2 324.900 3.125 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459939700 1182631403 /nfs/dbraw/zinc/63/14/03/1182631403.db2.gz UYEMHSXPJQYFOM-GXTWGEPZSA-N 2 2 324.900 3.125 20 0 DGADLP C[NH+]1C[C@@]2(C)C[NH+](Cc3cccc(OC(F)F)c3)C[C@]2(C)C1 ZINC001460559486 1182696180 /nfs/dbraw/zinc/69/61/80/1182696180.db2.gz HXUKNIJNNHZTAS-IRXDYDNUSA-N 2 2 310.388 3.062 20 0 DGADLP C[C@]12C[NH+](Cc3ccccn3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001460744807 1182715064 /nfs/dbraw/zinc/71/50/64/1182715064.db2.gz BXFHPBFNIJIGFE-QUCCMNQESA-N 2 2 307.441 3.036 20 0 DGADLP C[C@]12C[NH+](Cc3ccccn3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001460744807 1182715067 /nfs/dbraw/zinc/71/50/67/1182715067.db2.gz BXFHPBFNIJIGFE-QUCCMNQESA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC001460744807 1182715070 /nfs/dbraw/zinc/71/50/70/1182715070.db2.gz BXFHPBFNIJIGFE-QUCCMNQESA-N 2 2 307.441 3.036 20 0 DGADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC001460744807 1182715074 /nfs/dbraw/zinc/71/50/74/1182715074.db2.gz BXFHPBFNIJIGFE-QUCCMNQESA-N 2 2 307.441 3.036 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC001460822452 1182727241 /nfs/dbraw/zinc/72/72/41/1182727241.db2.gz UBSSKJCZDSURNJ-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC001460822452 1182727249 /nfs/dbraw/zinc/72/72/49/1182727249.db2.gz UBSSKJCZDSURNJ-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC001460999561 1182753107 /nfs/dbraw/zinc/75/31/07/1182753107.db2.gz HAFSBQXDJPYRCI-UHFFFAOYSA-N 2 2 312.404 3.479 20 0 DGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001461014012 1182756226 /nfs/dbraw/zinc/75/62/26/1182756226.db2.gz QDCNLENLYPCESH-HUUCEWRRSA-N 2 2 322.493 3.474 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001461047364 1182760918 /nfs/dbraw/zinc/76/09/18/1182760918.db2.gz VKSSUIMSWIFAFV-BETUJISGSA-N 2 2 324.900 3.398 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001461047364 1182760924 /nfs/dbraw/zinc/76/09/24/1182760924.db2.gz VKSSUIMSWIFAFV-BETUJISGSA-N 2 2 324.900 3.398 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2O1 ZINC001461084523 1182765385 /nfs/dbraw/zinc/76/53/85/1182765385.db2.gz APGXLHAJHDOAQB-KDOFPFPSSA-N 2 2 313.445 3.411 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(C2CCCC2)c1 ZINC001461177911 1182777469 /nfs/dbraw/zinc/77/74/69/1182777469.db2.gz KSXQYTVBWQWIQM-WOJBJXKFSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(C2CCCC2)c1 ZINC001461177911 1182777479 /nfs/dbraw/zinc/77/74/79/1182777479.db2.gz KSXQYTVBWQWIQM-WOJBJXKFSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@@H]1CC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H](C)C1 ZINC001461235360 1182783486 /nfs/dbraw/zinc/78/34/86/1182783486.db2.gz XWAOWVMEXIPPHK-HOTGVXAUSA-N 2 2 300.490 3.500 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1C ZINC001461234999 1182783999 /nfs/dbraw/zinc/78/39/99/1182783999.db2.gz UZXYULQZCUVXDF-JTDSTZFVSA-N 2 2 300.490 3.500 20 0 DGADLP CC[C@@H]1C[C@@H](C[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC001461299230 1182793920 /nfs/dbraw/zinc/79/39/20/1182793920.db2.gz NZVOFNPIAOAEBE-QFBILLFUSA-N 2 2 317.477 3.056 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001461637872 1182836135 /nfs/dbraw/zinc/83/61/35/1182836135.db2.gz MJOHQAWHHOUUHD-MRXNPFEDSA-N 2 2 319.449 3.217 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001461637872 1182836149 /nfs/dbraw/zinc/83/61/49/1182836149.db2.gz MJOHQAWHHOUUHD-MRXNPFEDSA-N 2 2 319.449 3.217 20 0 DGADLP Cc1cnc([C@@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC001462063822 1182903573 /nfs/dbraw/zinc/90/35/73/1182903573.db2.gz IULSVVHGGXKVEP-ZDUSSCGKSA-N 2 2 316.474 3.209 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)CO)C[N@@H+]1Cc1ccccc1 ZINC001462275136 1182932442 /nfs/dbraw/zinc/93/24/42/1182932442.db2.gz PSGZYKVPBXKHIG-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)CO)C[N@H+]1Cc1ccccc1 ZINC001462275136 1182932448 /nfs/dbraw/zinc/93/24/48/1182932448.db2.gz PSGZYKVPBXKHIG-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP Fc1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC001462588225 1182972574 /nfs/dbraw/zinc/97/25/74/1182972574.db2.gz SYQFYZDHPJLPQU-UHFFFAOYSA-N 2 2 317.383 3.479 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001462592758 1182974170 /nfs/dbraw/zinc/97/41/70/1182974170.db2.gz FYXVIIVQASZFQP-FSZRXZPDSA-N 2 2 323.912 3.056 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001462592758 1182974173 /nfs/dbraw/zinc/97/41/73/1182974173.db2.gz FYXVIIVQASZFQP-FSZRXZPDSA-N 2 2 323.912 3.056 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CSC3)CC2)cc1 ZINC001462665310 1182983119 /nfs/dbraw/zinc/98/31/19/1182983119.db2.gz HYESKIPSJCOMCT-UHFFFAOYSA-N 2 2 319.518 3.064 20 0 DGADLP CC(C)[C@@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1(CO)CCCC1 ZINC001473531515 1183770891 /nfs/dbraw/zinc/77/08/91/1183770891.db2.gz ISCHEJFPPMHBBX-KZNAEPCWSA-N 2 2 310.526 3.131 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc(F)ccc2F)CCN1c1cc[nH+]cc1 ZINC001473760084 1183800146 /nfs/dbraw/zinc/80/01/46/1183800146.db2.gz WBJCKJSIOKTSST-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CCN1c1cc[nH+]cc1 ZINC001473760084 1183800147 /nfs/dbraw/zinc/80/01/47/1183800147.db2.gz WBJCKJSIOKTSST-ZDUSSCGKSA-N 2 2 303.356 3.071 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001473908874 1183826126 /nfs/dbraw/zinc/82/61/26/1183826126.db2.gz DAYLVUHJWWEHRB-LJQANCHMSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001473908874 1183826135 /nfs/dbraw/zinc/82/61/35/1183826135.db2.gz DAYLVUHJWWEHRB-LJQANCHMSA-N 2 2 302.462 3.010 20 0 DGADLP Nc1c(Cl)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001473968118 1183840532 /nfs/dbraw/zinc/84/05/32/1183840532.db2.gz KJGCBEBTWDJCKN-UHFFFAOYSA-N 2 2 312.804 3.398 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]Cc2cccc3ccccc32)CCSC1 ZINC001474033993 1183855462 /nfs/dbraw/zinc/85/54/62/1183855462.db2.gz HIXUKISNIJIUQA-SFHVURJKSA-N 2 2 300.471 3.367 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001474108108 1183869215 /nfs/dbraw/zinc/86/92/15/1183869215.db2.gz GDLXWTUQKVMYEV-KGLIPLIRSA-N 2 2 319.518 3.374 20 0 DGADLP C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001474108108 1183869216 /nfs/dbraw/zinc/86/92/16/1183869216.db2.gz GDLXWTUQKVMYEV-KGLIPLIRSA-N 2 2 319.518 3.374 20 0 DGADLP CCO[C@@H](C[NH2+]C/C=C\c1cc(C)c(C)cc1C)C[NH+](C)C ZINC001474263402 1183891634 /nfs/dbraw/zinc/89/16/34/1183891634.db2.gz WDCJIMGAWCYELR-QWUACUGRSA-N 2 2 304.478 3.181 20 0 DGADLP Cc1cc(F)c(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(F)c1 ZINC001474278877 1183894226 /nfs/dbraw/zinc/89/42/26/1183894226.db2.gz ZNZJRRPAYRETOG-UHFFFAOYSA-N 2 2 314.339 3.144 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001474505512 1183932797 /nfs/dbraw/zinc/93/27/97/1183932797.db2.gz VNXXHKQFNBALHC-RBUKOAKNSA-N 3 2 309.542 3.184 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1OCC(F)F ZINC001474742085 1183971245 /nfs/dbraw/zinc/97/12/45/1183971245.db2.gz YPWVXRHSRRZPAE-UHFFFAOYSA-N 2 2 314.420 3.350 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1OCC(F)F ZINC001474742085 1183971247 /nfs/dbraw/zinc/97/12/47/1183971247.db2.gz YPWVXRHSRRZPAE-UHFFFAOYSA-N 2 2 314.420 3.350 20 0 DGADLP CCC(CC)C[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001480773140 1184604009 /nfs/dbraw/zinc/60/40/09/1184604009.db2.gz VDNLWQCPQZUMEA-CYBMUJFWSA-N 2 2 316.449 3.097 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CCCC3)CC2)c(C)[nH+]1 ZINC001499295827 1185635517 /nfs/dbraw/zinc/63/55/17/1185635517.db2.gz OGEATINTZWKFNA-UHFFFAOYSA-N 2 2 315.461 3.049 20 0 DGADLP CCc1cc(N(C)CCCC[NH+]2CCCCC2)nc(CC)[nH+]1 ZINC001612810028 1193461706 /nfs/dbraw/zinc/46/17/06/1193461706.db2.gz GLZYCQCICVUKFG-UHFFFAOYSA-N 2 2 304.482 3.304 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001548337691 1188456007 /nfs/dbraw/zinc/45/60/07/1188456007.db2.gz LZAALUOPWKBGHL-HZPDHXFCSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC001548337691 1188456010 /nfs/dbraw/zinc/45/60/10/1188456010.db2.gz LZAALUOPWKBGHL-HZPDHXFCSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001549006610 1188486443 /nfs/dbraw/zinc/48/64/43/1188486443.db2.gz GARYMGHGMOIGQL-VXGBXAGGSA-N 2 2 302.249 3.183 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001549006610 1188486446 /nfs/dbraw/zinc/48/64/46/1188486446.db2.gz GARYMGHGMOIGQL-VXGBXAGGSA-N 2 2 302.249 3.183 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1csc(C3CCCC3)n1)C2 ZINC001549114960 1188496160 /nfs/dbraw/zinc/49/61/60/1188496160.db2.gz DEGGHLBPXZJSOJ-RHSMWYFYSA-N 2 2 305.491 3.362 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1csc(C3CCCC3)n1)C2 ZINC001549114960 1188496161 /nfs/dbraw/zinc/49/61/61/1188496161.db2.gz DEGGHLBPXZJSOJ-RHSMWYFYSA-N 2 2 305.491 3.362 20 0 DGADLP COC1C[C@@H]2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550751 1188526468 /nfs/dbraw/zinc/52/64/68/1188526468.db2.gz BDQZQMMUWBGHMB-QVFIDTHSSA-N 2 2 306.494 3.187 20 0 DGADLP COC1C[C@@H]2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C[C@H]2C1 ZINC001549550751 1188526470 /nfs/dbraw/zinc/52/64/70/1188526470.db2.gz BDQZQMMUWBGHMB-QVFIDTHSSA-N 2 2 306.494 3.187 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001550058284 1188576300 /nfs/dbraw/zinc/57/63/00/1188576300.db2.gz JYDRAEHNLOIYGN-ROUUACIJSA-N 2 2 324.472 3.126 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001550058284 1188576306 /nfs/dbraw/zinc/57/63/06/1188576306.db2.gz JYDRAEHNLOIYGN-ROUUACIJSA-N 2 2 324.472 3.126 20 0 DGADLP CCOc1cccc(F)c1C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001550059520 1188576468 /nfs/dbraw/zinc/57/64/68/1188576468.db2.gz UDXNWJSOAGWWBF-AWEZNQCLSA-N 2 2 317.408 3.338 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)[nH+]c1C ZINC001550217973 1188594774 /nfs/dbraw/zinc/59/47/74/1188594774.db2.gz HUIRHUMVLTZISR-DNVCBOLYSA-N 2 2 324.428 3.022 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)cc2)[nH+]c1C ZINC001550218061 1188595011 /nfs/dbraw/zinc/59/50/11/1188595011.db2.gz JUBPUBBOQOIQFT-CJNGLKHVSA-N 2 2 312.417 3.020 20 0 DGADLP C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515883 1193572168 /nfs/dbraw/zinc/57/21/68/1193572168.db2.gz NKXXIQCGOPYJBU-PXNSSMCTSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001617515883 1193572170 /nfs/dbraw/zinc/57/21/70/1193572170.db2.gz NKXXIQCGOPYJBU-PXNSSMCTSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001617515883 1193572172 /nfs/dbraw/zinc/57/21/72/1193572172.db2.gz NKXXIQCGOPYJBU-PXNSSMCTSA-N 2 2 318.505 3.380 20 0 DGADLP C[C@@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001617515883 1193572175 /nfs/dbraw/zinc/57/21/75/1193572175.db2.gz NKXXIQCGOPYJBU-PXNSSMCTSA-N 2 2 318.505 3.380 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)c1C ZINC001550540107 1188622165 /nfs/dbraw/zinc/62/21/65/1188622165.db2.gz XCKWDKSBVXACKD-ROUUACIJSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@H]3C2)c1C ZINC001550540107 1188622169 /nfs/dbraw/zinc/62/21/69/1188622169.db2.gz XCKWDKSBVXACKD-ROUUACIJSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001550540107 1188622174 /nfs/dbraw/zinc/62/21/74/1188622174.db2.gz XCKWDKSBVXACKD-ROUUACIJSA-N 2 2 314.473 3.198 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)c1C ZINC001550540107 1188622178 /nfs/dbraw/zinc/62/21/78/1188622178.db2.gz XCKWDKSBVXACKD-ROUUACIJSA-N 2 2 314.473 3.198 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@H+](C)CC[C@@H]4C3)cs2)o1 ZINC001550541192 1188623037 /nfs/dbraw/zinc/62/30/37/1188623037.db2.gz RYKVBYFPWAYMLI-ZIAGYGMSSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[NH+]3C[C@H]4C[N@@H+](C)CC[C@@H]4C3)cs2)o1 ZINC001550541192 1188623038 /nfs/dbraw/zinc/62/30/38/1188623038.db2.gz RYKVBYFPWAYMLI-ZIAGYGMSSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)cs2)o1 ZINC001550541192 1188623039 /nfs/dbraw/zinc/62/30/39/1188623039.db2.gz RYKVBYFPWAYMLI-ZIAGYGMSSA-N 2 2 317.458 3.095 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH+](C)CC[C@@H]4C3)cs2)o1 ZINC001550541192 1188623040 /nfs/dbraw/zinc/62/30/40/1188623040.db2.gz RYKVBYFPWAYMLI-ZIAGYGMSSA-N 2 2 317.458 3.095 20 0 DGADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@@H]1[NH3+])CCC2 ZINC001551379208 1188732082 /nfs/dbraw/zinc/73/20/82/1188732082.db2.gz VYYFDAIWDWGVNO-KMFMINBZSA-N 2 2 313.470 3.297 20 0 DGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC001551378975 1188732142 /nfs/dbraw/zinc/73/21/42/1188732142.db2.gz VOBZXZCGRFLFTN-ABSDTBQOSA-N 2 2 324.424 3.123 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001552312848 1188835692 /nfs/dbraw/zinc/83/56/92/1188835692.db2.gz KSBMCJDQYKRMML-ZRNYENFQSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001552312848 1188835696 /nfs/dbraw/zinc/83/56/96/1188835696.db2.gz KSBMCJDQYKRMML-ZRNYENFQSA-N 2 2 314.473 3.371 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCCC[NH2+]C3)c2)[nH+]c1C ZINC001552418912 1188846108 /nfs/dbraw/zinc/84/61/08/1188846108.db2.gz DAFTUJBYTDLYOB-HNNXBMFYSA-N 2 2 312.417 3.022 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@H]2CCC[NH2+][C@H]21 ZINC001553023476 1188890238 /nfs/dbraw/zinc/89/02/38/1188890238.db2.gz ODOIQLLPQGQLJM-LBRJOISOSA-N 2 2 304.409 3.016 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC001553864480 1188952443 /nfs/dbraw/zinc/95/24/43/1188952443.db2.gz FFBMAVXTWMRREC-INIZCTEOSA-N 2 2 308.429 3.291 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3n2C)C1 ZINC001553864480 1188952446 /nfs/dbraw/zinc/95/24/46/1188952446.db2.gz FFBMAVXTWMRREC-INIZCTEOSA-N 2 2 308.429 3.291 20 0 DGADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC001553894253 1188955765 /nfs/dbraw/zinc/95/57/65/1188955765.db2.gz HXYHIFXQIDPZNZ-CQSZACIVSA-N 2 2 321.428 3.013 20 0 DGADLP CN(C)c1ncc(C[N@H+]2CC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC001553894253 1188955766 /nfs/dbraw/zinc/95/57/66/1188955766.db2.gz HXYHIFXQIDPZNZ-CQSZACIVSA-N 2 2 321.428 3.013 20 0 DGADLP CC(C)c1cc(NC[C@H]2C[NH+]3CCC2CC3)nc(C(C)C)[nH+]1 ZINC001559300966 1189194668 /nfs/dbraw/zinc/19/46/68/1189194668.db2.gz JEKAPIVPSBGEQX-HNNXBMFYSA-N 2 2 302.466 3.477 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CCCSC(C)(C)C)CC2)c1 ZINC001559528652 1189214386 /nfs/dbraw/zinc/21/43/86/1189214386.db2.gz MSIXVKBZOUSSCW-UHFFFAOYSA-N 2 2 323.506 3.134 20 0 DGADLP CCCC[N@@H+](Cc1c(C)oc(C)c1C)C[C@H](O)C[NH+](C)C1CC1 ZINC001560163778 1189285711 /nfs/dbraw/zinc/28/57/11/1189285711.db2.gz AOPYNUCQOBQEKV-GOSISDBHSA-N 2 2 322.493 3.262 20 0 DGADLP CCCC[N@H+](Cc1c(C)oc(C)c1C)C[C@H](O)C[NH+](C)C1CC1 ZINC001560163778 1189285715 /nfs/dbraw/zinc/28/57/15/1189285715.db2.gz AOPYNUCQOBQEKV-GOSISDBHSA-N 2 2 322.493 3.262 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@H](O)C[N@H+](C)C1CC1 ZINC001560163778 1189285721 /nfs/dbraw/zinc/28/57/21/1189285721.db2.gz AOPYNUCQOBQEKV-GOSISDBHSA-N 2 2 322.493 3.262 20 0 DGADLP CCCC[NH+](Cc1c(C)oc(C)c1C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC001560163778 1189285726 /nfs/dbraw/zinc/28/57/26/1189285726.db2.gz AOPYNUCQOBQEKV-GOSISDBHSA-N 2 2 322.493 3.262 20 0 DGADLP CCC[N@H+](C[C@H](C)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560218933 1189292735 /nfs/dbraw/zinc/29/27/35/1189292735.db2.gz CODJSBIROXMLTC-KRWDZBQOSA-N 2 2 304.478 3.398 20 0 DGADLP CCC[N@@H+](C[C@H](C)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001560218933 1189292739 /nfs/dbraw/zinc/29/27/39/1189292739.db2.gz CODJSBIROXMLTC-KRWDZBQOSA-N 2 2 304.478 3.398 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC001560233938 1189295444 /nfs/dbraw/zinc/29/54/44/1189295444.db2.gz PTDAIHRMUHTHSP-MRXNPFEDSA-N 2 2 303.450 3.091 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001560245916 1189298182 /nfs/dbraw/zinc/29/81/82/1189298182.db2.gz XBTUYLYMAMAPOS-SFHVURJKSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001560245916 1189298185 /nfs/dbraw/zinc/29/81/85/1189298185.db2.gz XBTUYLYMAMAPOS-SFHVURJKSA-N 2 2 302.462 3.010 20 0 DGADLP CCCn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC001560283589 1189305060 /nfs/dbraw/zinc/30/50/60/1189305060.db2.gz BPPCXGWKGXIIKI-INIZCTEOSA-N 2 2 303.454 3.003 20 0 DGADLP Nc1c(Cl)cccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001560291815 1189306338 /nfs/dbraw/zinc/30/63/38/1189306338.db2.gz IVTFTKMRTDBBFN-UHFFFAOYSA-N 2 2 312.804 3.398 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC001560298920 1189308719 /nfs/dbraw/zinc/30/87/19/1189308719.db2.gz YLYQUSOWJNQFTF-IAGOWNOFSA-N 2 2 302.462 3.263 20 0 DGADLP C[C@H](C[NH2+]CC(C)(C)c1ccc(Br)cc1)[NH+](C)C ZINC001560320165 1189311293 /nfs/dbraw/zinc/31/12/93/1189311293.db2.gz PIEMGYUAVBSVAA-GFCCVEGCSA-N 2 2 313.283 3.266 20 0 DGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC001560365109 1189319609 /nfs/dbraw/zinc/31/96/09/1189319609.db2.gz LFLBBYZPAADDPE-UHFFFAOYSA-N 2 2 321.856 3.184 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccc12 ZINC001560388717 1189322319 /nfs/dbraw/zinc/32/23/19/1189322319.db2.gz MQAMVIRFUKJPOL-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccc12 ZINC001560388717 1189322322 /nfs/dbraw/zinc/32/23/22/1189322322.db2.gz MQAMVIRFUKJPOL-KUHUBIRLSA-N 2 2 310.441 3.421 20 0 DGADLP c1cn(-c2csc(C[NH2+]CCC[C@H]3CCCCO3)c2)c[nH+]1 ZINC001560433373 1189328376 /nfs/dbraw/zinc/32/83/76/1189328376.db2.gz ILIWZKHBGWLKCY-OAHLLOKOSA-N 2 2 305.447 3.373 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C2 ZINC001560530306 1189336536 /nfs/dbraw/zinc/33/65/36/1189336536.db2.gz HNDWEPVKQJJKEL-DLBZAZTESA-N 2 2 316.489 3.405 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C2 ZINC001560530306 1189336541 /nfs/dbraw/zinc/33/65/41/1189336541.db2.gz HNDWEPVKQJJKEL-DLBZAZTESA-N 2 2 316.489 3.405 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC001560538361 1189338717 /nfs/dbraw/zinc/33/87/17/1189338717.db2.gz LGRMRPALGNGPCD-QGZVFWFLSA-N 2 2 311.410 3.417 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050686 1189426332 /nfs/dbraw/zinc/42/63/32/1189426332.db2.gz DJXDGVGSOYLQLK-NVXWUHKLSA-N 2 2 305.466 3.243 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001561050686 1189426337 /nfs/dbraw/zinc/42/63/37/1189426337.db2.gz DJXDGVGSOYLQLK-NVXWUHKLSA-N 2 2 305.466 3.243 20 0 DGADLP C/C(=C/c1ccncc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001565777984 1189669938 /nfs/dbraw/zinc/66/99/38/1189669938.db2.gz GKOAMYRTSTZWIM-QBFSEMIESA-N 2 2 319.368 3.013 20 0 DGADLP Brc1ccccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001657355471 1196133971 /nfs/dbraw/zinc/13/39/71/1196133971.db2.gz SUJRXASOPWDLBE-UHFFFAOYSA-N 2 2 320.234 3.436 20 0 DGADLP CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568658512 1190574967 /nfs/dbraw/zinc/57/49/67/1190574967.db2.gz IVQHBCBCJICCLO-LZNQSLFOSA-N 2 2 317.477 3.461 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001570620684 1190903507 /nfs/dbraw/zinc/90/35/07/1190903507.db2.gz GHHMAHAIWWIDSK-AISUJJHZSA-N 2 2 317.477 3.460 20 0 DGADLP CCCC[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001571612898 1191058683 /nfs/dbraw/zinc/05/86/83/1191058683.db2.gz CJLKTEDHAXKBIX-UHFFFAOYSA-N 2 2 316.449 3.145 20 0 DGADLP CCCC[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001571612898 1191058686 /nfs/dbraw/zinc/05/86/86/1191058686.db2.gz CJLKTEDHAXKBIX-UHFFFAOYSA-N 2 2 316.449 3.145 20 0 DGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001576150269 1191533073 /nfs/dbraw/zinc/53/30/73/1191533073.db2.gz WUFLEHYFVQVUHT-CYBMUJFWSA-N 2 2 320.383 3.323 20 0 DGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001576150269 1191533074 /nfs/dbraw/zinc/53/30/74/1191533074.db2.gz WUFLEHYFVQVUHT-CYBMUJFWSA-N 2 2 320.383 3.323 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C2CCCCC2)cc1)[C@H]1C[NH2+]CCO1 ZINC001576253443 1191549645 /nfs/dbraw/zinc/54/96/45/1191549645.db2.gz WJPTUSBVCTUOQN-HNAYVOBHSA-N 2 2 302.462 3.201 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2ccnc(Cl)c2Cl)[C@@H]2CCC[NH2+][C@H]21 ZINC001576391547 1191580313 /nfs/dbraw/zinc/58/03/13/1191580313.db2.gz SZLCXOUWKGKZAX-RAIGVLPGSA-N 2 2 314.260 3.255 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001618931633 1193754880 /nfs/dbraw/zinc/75/48/80/1193754880.db2.gz LVUMBCVMHYUBEM-SJORKVTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001618931633 1193754882 /nfs/dbraw/zinc/75/48/82/1193754882.db2.gz LVUMBCVMHYUBEM-SJORKVTESA-N 2 2 310.869 3.180 20 0 DGADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001620502975 1193772757 /nfs/dbraw/zinc/77/27/57/1193772757.db2.gz VQJDMXXAPOBTME-UHFFFAOYSA-N 2 2 304.554 3.148 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001621243682 1193821912 /nfs/dbraw/zinc/82/19/12/1193821912.db2.gz QFZABWAPGVHIQZ-ZDUSSCGKSA-N 2 2 308.376 3.071 20 0 DGADLP CCCn1c[nH+]cc1CN1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC001621434429 1193842273 /nfs/dbraw/zinc/84/22/73/1193842273.db2.gz VONPUHMZOQRWTG-QGZVFWFLSA-N 2 2 312.461 3.176 20 0 DGADLP CCn1cnc(Cl)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001621496906 1193850204 /nfs/dbraw/zinc/85/02/04/1193850204.db2.gz SKWHPLUTUPCQHB-UHFFFAOYSA-N 2 2 312.889 3.254 20 0 DGADLP CCn1cnc(Cl)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001621496906 1193850205 /nfs/dbraw/zinc/85/02/05/1193850205.db2.gz SKWHPLUTUPCQHB-UHFFFAOYSA-N 2 2 312.889 3.254 20 0 DGADLP CCn1nc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC001621569617 1193860383 /nfs/dbraw/zinc/86/03/83/1193860383.db2.gz AOLBBXDRMKUAHI-UHFFFAOYSA-N 2 2 314.477 3.409 20 0 DGADLP CCn1nc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC001621569617 1193860386 /nfs/dbraw/zinc/86/03/86/1193860386.db2.gz AOLBBXDRMKUAHI-UHFFFAOYSA-N 2 2 314.477 3.409 20 0 DGADLP O=c1[nH]cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc12 ZINC001641946719 1194880733 /nfs/dbraw/zinc/88/07/33/1194880733.db2.gz LQCFNQOBKZORQJ-UHFFFAOYSA-N 2 2 308.385 3.043 20 0 DGADLP CCCN(CCC[NH+](C)C)c1nc2ccccc2n2c[nH+]cc12 ZINC001642589126 1194920853 /nfs/dbraw/zinc/92/08/53/1194920853.db2.gz ZOQXTZCNDOLZAH-UHFFFAOYSA-N 2 2 311.433 3.051 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001643063230 1194964608 /nfs/dbraw/zinc/96/46/08/1194964608.db2.gz DKDHLOAILGZBKJ-HXUWFJFHSA-N 2 2 316.489 3.326 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001643063230 1194964614 /nfs/dbraw/zinc/96/46/14/1194964614.db2.gz DKDHLOAILGZBKJ-HXUWFJFHSA-N 2 2 316.489 3.326 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001643063229 1194964655 /nfs/dbraw/zinc/96/46/55/1194964655.db2.gz DKDHLOAILGZBKJ-FQEVSTJZSA-N 2 2 316.489 3.326 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001643063229 1194964657 /nfs/dbraw/zinc/96/46/57/1194964657.db2.gz DKDHLOAILGZBKJ-FQEVSTJZSA-N 2 2 316.489 3.326 20 0 DGADLP C[C@@H]1c2ccccc2C[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001643948085 1195065791 /nfs/dbraw/zinc/06/57/91/1195065791.db2.gz FWQMELJJYNQSAG-UTKZUKDTSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@@H]1c2ccccc2C[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001643948085 1195065797 /nfs/dbraw/zinc/06/57/97/1195065797.db2.gz FWQMELJJYNQSAG-UTKZUKDTSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@@H]1c2ccccc2C[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001643948085 1195065800 /nfs/dbraw/zinc/06/58/00/1195065800.db2.gz FWQMELJJYNQSAG-UTKZUKDTSA-N 2 2 322.452 3.200 20 0 DGADLP C[C@@H]1c2ccccc2C[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001643948085 1195065804 /nfs/dbraw/zinc/06/58/04/1195065804.db2.gz FWQMELJJYNQSAG-UTKZUKDTSA-N 2 2 322.452 3.200 20 0 DGADLP COc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1OC(C)C ZINC000060816817 1195157508 /nfs/dbraw/zinc/15/75/08/1195157508.db2.gz JDFVSBMRQFUROU-UHFFFAOYSA-N 2 2 308.466 3.160 20 0 DGADLP CC(C)(CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCC1 ZINC001651027627 1195405390 /nfs/dbraw/zinc/40/53/90/1195405390.db2.gz YGUQZTVLGOPIQP-UHFFFAOYSA-N 2 2 323.444 3.416 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001651646755 1195490836 /nfs/dbraw/zinc/49/08/36/1195490836.db2.gz PIOSCTYXQSVALM-APEZIOSESA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001651646755 1195490846 /nfs/dbraw/zinc/49/08/46/1195490846.db2.gz PIOSCTYXQSVALM-APEZIOSESA-N 2 2 302.462 3.310 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC001651706299 1195499903 /nfs/dbraw/zinc/49/99/03/1195499903.db2.gz OQPNVUPJJDWQDB-GJZGRUSLSA-N 2 2 320.477 3.229 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001652177377 1195558179 /nfs/dbraw/zinc/55/81/79/1195558179.db2.gz YKGRVQTWEUEYQM-GXTWGEPZSA-N 2 2 324.415 3.413 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001652177377 1195558180 /nfs/dbraw/zinc/55/81/80/1195558180.db2.gz YKGRVQTWEUEYQM-GXTWGEPZSA-N 2 2 324.415 3.413 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000066876395 1195572553 /nfs/dbraw/zinc/57/25/53/1195572553.db2.gz ILVWKLRDXTWJCD-UHFFFAOYSA-N 2 2 309.417 3.183 20 0 DGADLP COc1ccc(C)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000067250236 1195613194 /nfs/dbraw/zinc/61/31/94/1195613194.db2.gz GTYNWKQSARQHFA-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP CC[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218646 1195785215 /nfs/dbraw/zinc/78/52/15/1195785215.db2.gz ODRKFLLIVMMGLE-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218646 1195785218 /nfs/dbraw/zinc/78/52/18/1195785218.db2.gz ODRKFLLIVMMGLE-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218646 1195785224 /nfs/dbraw/zinc/78/52/24/1195785224.db2.gz ODRKFLLIVMMGLE-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218646 1195785228 /nfs/dbraw/zinc/78/52/28/1195785228.db2.gz ODRKFLLIVMMGLE-RLLQIKCJSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)cc4ccccc43)C[C@H]21 ZINC001654415096 1195801963 /nfs/dbraw/zinc/80/19/63/1195801963.db2.gz NTZHLRMIYIQNLK-PIIMJCKOSA-N 2 2 300.833 3.485 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3cc(Cl)cc4ccccc43)C[C@H]21 ZINC001654415096 1195801969 /nfs/dbraw/zinc/80/19/69/1195801969.db2.gz NTZHLRMIYIQNLK-PIIMJCKOSA-N 2 2 300.833 3.485 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000069669187 1195810284 /nfs/dbraw/zinc/81/02/84/1195810284.db2.gz QHAOPLFCEDRRKL-UHFFFAOYSA-N 2 2 310.445 3.108 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000069676924 1195811324 /nfs/dbraw/zinc/81/13/24/1195811324.db2.gz WMTFABWJXOOLJT-UHFFFAOYSA-N 2 2 324.472 3.354 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)nc(C)n1 ZINC001654515816 1195812318 /nfs/dbraw/zinc/81/23/18/1195812318.db2.gz WYBPVZBNECRYIS-IBGZPJMESA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)nc(C)n1 ZINC001654515816 1195812322 /nfs/dbraw/zinc/81/23/22/1195812322.db2.gz WYBPVZBNECRYIS-IBGZPJMESA-N 2 2 316.493 3.180 20 0 DGADLP CCc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001654867212 1195848859 /nfs/dbraw/zinc/84/88/59/1195848859.db2.gz QODQWRFHNJVLFZ-KRWDZBQOSA-N 2 2 312.461 3.186 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001655188106 1195887759 /nfs/dbraw/zinc/88/77/59/1195887759.db2.gz BBXNCWMUPAAUEV-GOSISDBHSA-N 2 2 310.445 3.367 20 0 DGADLP CCc1cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001655202925 1195890743 /nfs/dbraw/zinc/89/07/43/1195890743.db2.gz QPOOCGRZHGZUQV-GOSISDBHSA-N 2 2 324.472 3.312 20 0 DGADLP CCc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001655202925 1195890747 /nfs/dbraw/zinc/89/07/47/1195890747.db2.gz QPOOCGRZHGZUQV-GOSISDBHSA-N 2 2 324.472 3.312 20 0 DGADLP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC001655410801 1195913827 /nfs/dbraw/zinc/91/38/27/1195913827.db2.gz XPXDVNVJOOWSQZ-HZPDHXFCSA-N 2 2 317.408 3.306 20 0 DGADLP COC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC001655937422 1195980272 /nfs/dbraw/zinc/98/02/72/1195980272.db2.gz MJHVSDJBNSVGQF-QGZVFWFLSA-N 2 2 313.426 3.411 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC001656045030 1195991712 /nfs/dbraw/zinc/99/17/12/1195991712.db2.gz WMWGSQUHEKNMMQ-SJLPKXTDSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C2 ZINC001656045030 1195991716 /nfs/dbraw/zinc/99/17/16/1195991716.db2.gz WMWGSQUHEKNMMQ-SJLPKXTDSA-N 2 2 316.489 3.264 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC001656506477 1196045363 /nfs/dbraw/zinc/04/53/63/1196045363.db2.gz PFDKOPJQGGILHM-MOPGFXCFSA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC001656506477 1196045365 /nfs/dbraw/zinc/04/53/65/1196045365.db2.gz PFDKOPJQGGILHM-MOPGFXCFSA-N 2 2 311.429 3.406 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC001656549672 1196049443 /nfs/dbraw/zinc/04/94/43/1196049443.db2.gz RXOWYZJPEXVOGA-UHFFFAOYSA-N 2 2 321.371 3.401 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC001656672071 1196059999 /nfs/dbraw/zinc/05/99/99/1196059999.db2.gz MZSOVHFUHMMAEF-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP CCn1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)n1 ZINC001656666306 1196060311 /nfs/dbraw/zinc/06/03/11/1196060311.db2.gz NNHSRQZLLUFFCI-UHFFFAOYSA-N 2 2 312.461 3.179 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001656747016 1196068198 /nfs/dbraw/zinc/06/81/98/1196068198.db2.gz YMSMFMUKKYIMQV-UHFFFAOYSA-N 2 2 304.356 3.247 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001656747016 1196068199 /nfs/dbraw/zinc/06/81/99/1196068199.db2.gz YMSMFMUKKYIMQV-UHFFFAOYSA-N 2 2 304.356 3.247 20 0 DGADLP COc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1OC(C)C ZINC001656746271 1196068221 /nfs/dbraw/zinc/06/82/21/1196068221.db2.gz FRYQSFHDUUWZDT-UHFFFAOYSA-N 2 2 308.466 3.302 20 0 DGADLP COc1cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1OC(C)C ZINC001656746271 1196068223 /nfs/dbraw/zinc/06/82/23/1196068223.db2.gz FRYQSFHDUUWZDT-UHFFFAOYSA-N 2 2 308.466 3.302 20 0 DGADLP Fc1cc(C[NH2+]Cc2cccc3n[nH]cc32)ccc1-n1cc[nH+]c1 ZINC001656943194 1196085427 /nfs/dbraw/zinc/08/54/27/1196085427.db2.gz RGXQZVGZKKFJPF-UHFFFAOYSA-N 2 2 321.359 3.178 20 0 DGADLP C[C@H](CC[NH2+]Cc1c(Cl)nc2ccccn21)[NH+]1CCCCC1 ZINC001657153128 1196112098 /nfs/dbraw/zinc/11/20/98/1196112098.db2.gz SFKURZVTRIHBJK-CQSZACIVSA-N 2 2 320.868 3.342 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001657155679 1196112254 /nfs/dbraw/zinc/11/22/54/1196112254.db2.gz NPTPOTXKLYYQOL-CYBMUJFWSA-N 2 2 308.857 3.198 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)CC2 ZINC001657910338 1196192841 /nfs/dbraw/zinc/19/28/41/1196192841.db2.gz MOFUORTZECBJJA-PKOBYXMFSA-N 2 2 316.489 3.263 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001657910338 1196192844 /nfs/dbraw/zinc/19/28/44/1196192844.db2.gz MOFUORTZECBJJA-PKOBYXMFSA-N 2 2 316.489 3.263 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001658132937 1196215112 /nfs/dbraw/zinc/21/51/12/1196215112.db2.gz UOEONLSHEJYENR-SOLBZPMBSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001658132937 1196215116 /nfs/dbraw/zinc/21/51/16/1196215116.db2.gz UOEONLSHEJYENR-SOLBZPMBSA-N 2 2 304.478 3.179 20 0 DGADLP c1cc2nsnc2c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001658297357 1196237697 /nfs/dbraw/zinc/23/76/97/1196237697.db2.gz FMASVTZOEBLJPR-OAHLLOKOSA-N 2 2 316.474 3.188 20 0 DGADLP c1cc2nsnc2c(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001658297357 1196237698 /nfs/dbraw/zinc/23/76/98/1196237698.db2.gz FMASVTZOEBLJPR-OAHLLOKOSA-N 2 2 316.474 3.188 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC001658714407 1196292292 /nfs/dbraw/zinc/29/22/92/1196292292.db2.gz PZEQIRSCIJNAPG-UHFFFAOYSA-N 2 2 308.385 3.092 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC001658786708 1196300673 /nfs/dbraw/zinc/30/06/73/1196300673.db2.gz YFDBAGCPEUIGRU-GJZGRUSLSA-N 2 2 320.477 3.229 20 0 DGADLP COCCCC1(C[NH+]2CCC(c3c[nH+]cn3C)CC2)CCC1 ZINC001659114845 1196346679 /nfs/dbraw/zinc/34/66/79/1196346679.db2.gz OLQDOOICAIIEFS-UHFFFAOYSA-N 2 2 305.466 3.196 20 0 DGADLP COc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001659733774 1196410087 /nfs/dbraw/zinc/41/00/87/1196410087.db2.gz JFSPCTMZTBIJCR-PBHICJAKSA-N 2 2 308.441 3.387 20 0 DGADLP COc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001659733774 1196410091 /nfs/dbraw/zinc/41/00/91/1196410091.db2.gz JFSPCTMZTBIJCR-PBHICJAKSA-N 2 2 308.441 3.387 20 0 DGADLP COc1cc(C)[nH+]c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c1 ZINC001660591911 1196500885 /nfs/dbraw/zinc/50/08/85/1196500885.db2.gz MIQHCQFQVBGFOP-IEBWSBKVSA-N 2 2 317.477 3.093 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001660752459 1196519280 /nfs/dbraw/zinc/51/92/80/1196519280.db2.gz UPUHCIIAUKKUNP-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001660752459 1196519283 /nfs/dbraw/zinc/51/92/83/1196519283.db2.gz UPUHCIIAUKKUNP-HNNXBMFYSA-N 2 2 300.368 3.365 20 0 DGADLP CCOc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(Cl)c1OC ZINC001660889047 1196539004 /nfs/dbraw/zinc/53/90/04/1196539004.db2.gz SQRACXFSPCTOTI-LBPRGKRZSA-N 2 2 323.824 3.122 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)[NH+]1CCCCC1 ZINC001661070649 1196562025 /nfs/dbraw/zinc/56/20/25/1196562025.db2.gz OSXHKQIROCWLAC-BHIYHBOVSA-N 2 2 308.510 3.436 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4c3OCC4)cc2)c[nH+]1 ZINC001661209366 1196581921 /nfs/dbraw/zinc/58/19/21/1196581921.db2.gz XMQSMRMVNHHATN-UHFFFAOYSA-N 2 2 305.381 3.097 20 0 DGADLP CCCn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC001661209424 1196582362 /nfs/dbraw/zinc/58/23/62/1196582362.db2.gz ZRSYDMPWGOVASS-UHFFFAOYSA-N 2 2 309.417 3.077 20 0 DGADLP Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccccc2)n1 ZINC001661642542 1196627258 /nfs/dbraw/zinc/62/72/58/1196627258.db2.gz BOHOVEWKRNLOLK-UHFFFAOYSA-N 2 2 321.428 3.074 20 0 DGADLP c1ccc(-c2ncc(C[NH2+]CCCNc3cccc[nH+]3)cn2)cc1 ZINC001661643283 1196627474 /nfs/dbraw/zinc/62/74/74/1196627474.db2.gz ZLJSRCJEPFRVTA-UHFFFAOYSA-N 2 2 319.412 3.130 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC001662079908 1196679094 /nfs/dbraw/zinc/67/90/94/1196679094.db2.gz ZFVLRJREUNEZMC-UHFFFAOYSA-N 2 2 324.472 3.428 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001665259314 1197116213 /nfs/dbraw/zinc/11/62/13/1197116213.db2.gz KZQBSDWQEAXVGF-DQPZFDDXSA-N 2 2 322.493 3.103 20 0 DGADLP CC(C)(C)OC(=O)C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001665259314 1197116217 /nfs/dbraw/zinc/11/62/17/1197116217.db2.gz KZQBSDWQEAXVGF-DQPZFDDXSA-N 2 2 322.493 3.103 20 0 DGADLP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001665265212 1197117154 /nfs/dbraw/zinc/11/71/54/1197117154.db2.gz YHWZYTQAXRKNGB-NWDGAFQWSA-N 2 2 317.260 3.445 20 0 DGADLP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001665265212 1197117156 /nfs/dbraw/zinc/11/71/56/1197117156.db2.gz YHWZYTQAXRKNGB-NWDGAFQWSA-N 2 2 317.260 3.445 20 0 DGADLP CC[N@H+](Cc1ccc(C)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000097899212 1199163657 /nfs/dbraw/zinc/16/36/57/1199163657.db2.gz UKSKARHIGQUJSI-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1ccc(C)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000097899212 1199163662 /nfs/dbraw/zinc/16/36/62/1199163662.db2.gz UKSKARHIGQUJSI-AWEZNQCLSA-N 2 2 311.267 3.331 20 0 DGADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000113355613 1199666853 /nfs/dbraw/zinc/66/68/53/1199666853.db2.gz NLOVEYDZZDKWSD-IBGZPJMESA-N 2 2 307.397 3.350 20 0 DGADLP CCn1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000116367607 1199797469 /nfs/dbraw/zinc/79/74/69/1199797469.db2.gz CAKNOOMWHXMHCO-INIZCTEOSA-N 2 2 312.461 3.218 20 0 DGADLP CC(C)CCC[NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754379195 1200247119 /nfs/dbraw/zinc/24/71/19/1200247119.db2.gz MIPWSHMBUBKWPK-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CCOC(=O)CCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000122331730 1200266985 /nfs/dbraw/zinc/26/69/85/1200266985.db2.gz IAXFGWGXROEAAS-HNNXBMFYSA-N 2 2 315.417 3.084 20 0 DGADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000123612911 1200281042 /nfs/dbraw/zinc/28/10/42/1200281042.db2.gz XUMMNMBUWBPZLS-SFHVURJKSA-N 2 2 305.381 3.404 20 0 DGADLP CCCCC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001690161199 1200427188 /nfs/dbraw/zinc/42/71/88/1200427188.db2.gz XICJUCNMKAPLJU-QGZVFWFLSA-N 2 2 317.477 3.295 20 0 DGADLP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755596490 1200977531 /nfs/dbraw/zinc/97/75/31/1200977531.db2.gz JAXSVERRRFEQJQ-OAHLLOKOSA-N 2 2 319.493 3.493 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000131027852 1201095088 /nfs/dbraw/zinc/09/50/88/1201095088.db2.gz YOVOEKXALIWTFM-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC(C)C)CC(C)C)c(C)[nH+]1 ZINC001698874041 1201536047 /nfs/dbraw/zinc/53/60/47/1201536047.db2.gz BDBYCOFPDXMXJV-QGZVFWFLSA-N 2 2 319.493 3.397 20 0 DGADLP CC(C)=CC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001752473804 1201850059 /nfs/dbraw/zinc/85/00/59/1201850059.db2.gz NDMQOMQFRULNAJ-KRWDZBQOSA-N 2 2 315.461 3.071 20 0 DGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC001752883879 1201992764 /nfs/dbraw/zinc/99/27/64/1201992764.db2.gz MOOABIZUEQOFSS-KBPBESRZSA-N 2 2 322.412 3.032 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001700409355 1202265001 /nfs/dbraw/zinc/26/50/01/1202265001.db2.gz OOFTXNLKXMHFOK-LSDHHAIUSA-N 2 2 317.477 3.293 20 0 DGADLP CC(C)[NH2+][C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001700501546 1202297416 /nfs/dbraw/zinc/29/74/16/1202297416.db2.gz FDLOFUFVSLMDCA-HNNXBMFYSA-N 2 2 316.449 3.048 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001700904241 1202368193 /nfs/dbraw/zinc/36/81/93/1202368193.db2.gz YQAJSFYPRNUBIU-SJORKVTESA-N 2 2 317.477 3.151 20 0 DGADLP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccccc34)cn2)CC1 ZINC000219350412 1202565042 /nfs/dbraw/zinc/56/50/42/1202565042.db2.gz KKPKOFKYPCRHDP-UHFFFAOYSA-N 2 2 319.412 3.125 20 0 DGADLP CC(C)[NH2+]CCCCCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001707182389 1202575307 /nfs/dbraw/zinc/57/53/07/1202575307.db2.gz AFEDSIFJTLQVFK-UHFFFAOYSA-N 2 2 316.449 3.193 20 0 DGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4ccc(C)cn34)ccc2n1C ZINC000157965676 1202603226 /nfs/dbraw/zinc/60/32/26/1202603226.db2.gz HMNFFMQOIGZART-UHFFFAOYSA-N 2 2 305.385 3.450 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000236797092 1202625419 /nfs/dbraw/zinc/62/54/19/1202625419.db2.gz HWNIWWCIJFRFLD-FQEVSTJZSA-N 2 2 312.457 3.286 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000236797092 1202625420 /nfs/dbraw/zinc/62/54/20/1202625420.db2.gz HWNIWWCIJFRFLD-FQEVSTJZSA-N 2 2 312.457 3.286 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000237418078 1202673584 /nfs/dbraw/zinc/67/35/84/1202673584.db2.gz LHBMYVJGMNXDNP-GJZGRUSLSA-N 2 2 306.475 3.134 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000237418078 1202673585 /nfs/dbraw/zinc/67/35/85/1202673585.db2.gz LHBMYVJGMNXDNP-GJZGRUSLSA-N 2 2 306.475 3.134 20 0 DGADLP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715341869 1203319603 /nfs/dbraw/zinc/31/96/03/1203319603.db2.gz PCUZVVHIRRQQKM-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001715348643 1203321488 /nfs/dbraw/zinc/32/14/88/1203321488.db2.gz MENJOULDBMEJQI-HNNXBMFYSA-N 2 2 319.493 3.493 20 0 DGADLP CCC[NH+]1CCC(C)(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001716886889 1203561624 /nfs/dbraw/zinc/56/16/24/1203561624.db2.gz SHGQKWGCTBHVRC-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]C(C)C)C(C)(C)C)c(C)[nH+]1 ZINC001717963323 1203736721 /nfs/dbraw/zinc/73/67/21/1203736721.db2.gz IIMLTCMRTPIRNS-HNNXBMFYSA-N 2 2 305.466 3.149 20 0 DGADLP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725179696 1204112592 /nfs/dbraw/zinc/11/25/92/1204112592.db2.gz USGOJTVPLPCUAK-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725179696 1204112593 /nfs/dbraw/zinc/11/25/93/1204112593.db2.gz USGOJTVPLPCUAK-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734239262 1205348518 /nfs/dbraw/zinc/34/85/18/1205348518.db2.gz DPFQBSZHNMUEBC-CQSZACIVSA-N 2 2 314.433 3.017 20 0 DGADLP COc1ccc2[nH+]c(N3CCC(C[NH+](C)C)CC3)cc(C)c2c1 ZINC001165042483 721945405 /nfs/dbraw/zinc/94/54/05/721945405.db2.gz SXEYTCUOLRPAGW-UHFFFAOYSA-N 2 2 313.445 3.330 20 0 DGADLP [NH3+]Cc1ccc2c(n1)N(c1cc[nH+]cc1C(F)(F)F)CCC2 ZINC001169592182 1081600136 /nfs/dbraw/zinc/60/01/36/1081600136.db2.gz INWIISWYIHSJSL-UHFFFAOYSA-N 2 2 308.307 3.038 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c([nH+]1)NCCO2 ZINC001169689662 1081629950 /nfs/dbraw/zinc/62/99/50/1081629950.db2.gz HOGPTADDULAPKD-CQSZACIVSA-N 2 2 310.401 3.126 20 0 DGADLP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001266540824 1081973806 /nfs/dbraw/zinc/97/38/06/1081973806.db2.gz LGBXPSORPXMWPD-TUYSUELWSA-N 2 2 315.461 3.167 20 0 DGADLP C[N@H+](Cc1ccc(F)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207045419 1082002473 /nfs/dbraw/zinc/00/24/73/1082002473.db2.gz VOCQMSDFNDHYNA-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP C[N@@H+](Cc1ccc(F)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207045419 1082002477 /nfs/dbraw/zinc/00/24/77/1082002477.db2.gz VOCQMSDFNDHYNA-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP Cc1cc(N2CC[NH+]([C@H](C)CCCC(C)C)CC2)nc(C)[nH+]1 ZINC001170083619 1082025407 /nfs/dbraw/zinc/02/54/07/1082025407.db2.gz QUIPBPUGOCDQAI-MRXNPFEDSA-N 2 2 304.482 3.430 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136335 1082176503 /nfs/dbraw/zinc/17/65/03/1082176503.db2.gz JUGJUJBEKTUAHS-PMPSAXMXSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136335 1082176509 /nfs/dbraw/zinc/17/65/09/1082176509.db2.gz JUGJUJBEKTUAHS-PMPSAXMXSA-N 2 2 304.482 3.289 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1CC[C@@H](C)C1)[C@H]2C ZINC001170136335 1082176514 /nfs/dbraw/zinc/17/65/14/1082176514.db2.gz JUGJUJBEKTUAHS-PMPSAXMXSA-N 2 2 304.482 3.289 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001207276092 1082486093 /nfs/dbraw/zinc/48/60/93/1082486093.db2.gz UEMCFZMWKBQPMP-UHFFFAOYSA-N 2 2 309.885 3.050 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167617122 1082609855 /nfs/dbraw/zinc/60/98/55/1082609855.db2.gz KPAILJNIWKJLDV-CQSZACIVSA-N 2 2 311.433 3.045 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167617122 1082609857 /nfs/dbraw/zinc/60/98/57/1082609857.db2.gz KPAILJNIWKJLDV-CQSZACIVSA-N 2 2 311.433 3.045 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCCC(C)(C)C)c(C)[nH+]1 ZINC001267207201 1082638526 /nfs/dbraw/zinc/63/85/26/1082638526.db2.gz BUESVFBESHVVLB-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCCC(C)(C)C)c(C)[nH+]1 ZINC001267207201 1082638528 /nfs/dbraw/zinc/63/85/28/1082638528.db2.gz BUESVFBESHVVLB-UHFFFAOYSA-N 2 2 319.493 3.495 20 0 DGADLP Cc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]c2c1cccc2C(C)C ZINC001170567667 1082685834 /nfs/dbraw/zinc/68/58/34/1082685834.db2.gz FDQZLUILVXEEJS-PBHICJAKSA-N 2 2 313.445 3.455 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207399809 1082925473 /nfs/dbraw/zinc/92/54/73/1082925473.db2.gz UKZKLQXMVQDFLF-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207399809 1082925478 /nfs/dbraw/zinc/92/54/78/1082925478.db2.gz UKZKLQXMVQDFLF-QGZVFWFLSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181912912 1083581968 /nfs/dbraw/zinc/58/19/68/1083581968.db2.gz JEPGQEWOLKKRGR-MRXNPFEDSA-N 2 2 313.445 3.250 20 0 DGADLP C[C@H](Cc1ccno1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181912912 1083581977 /nfs/dbraw/zinc/58/19/77/1083581977.db2.gz JEPGQEWOLKKRGR-MRXNPFEDSA-N 2 2 313.445 3.250 20 0 DGADLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143512337 1083741626 /nfs/dbraw/zinc/74/16/26/1083741626.db2.gz YUISOZXXIJXWFS-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143512337 1083741636 /nfs/dbraw/zinc/74/16/36/1083741636.db2.gz YUISOZXXIJXWFS-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918077 1083841123 /nfs/dbraw/zinc/84/11/23/1083841123.db2.gz JAUHKMRNTJBZTD-WOJBJXKFSA-N 2 2 316.489 3.241 20 0 DGADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)Cc1ccccc1 ZINC001182918077 1083841128 /nfs/dbraw/zinc/84/11/28/1083841128.db2.gz JAUHKMRNTJBZTD-WOJBJXKFSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccsc2Br)CC1 ZINC001205289134 1084094844 /nfs/dbraw/zinc/09/48/44/1084094844.db2.gz SYSRTDPQAOPMOW-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccsc2Br)CC1 ZINC001205289134 1084094856 /nfs/dbraw/zinc/09/48/56/1084094856.db2.gz SYSRTDPQAOPMOW-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[NH+]1CCC(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001184374764 1084167086 /nfs/dbraw/zinc/16/70/86/1084167086.db2.gz QHJDXWSIDAGEQS-KRWDZBQOSA-N 3 2 318.509 3.159 20 0 DGADLP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)CC1 ZINC001184374764 1084167089 /nfs/dbraw/zinc/16/70/89/1084167089.db2.gz QHJDXWSIDAGEQS-KRWDZBQOSA-N 3 2 318.509 3.159 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)Cc2cccs2)nc(CC)[nH+]1 ZINC001185692239 1084502636 /nfs/dbraw/zinc/50/26/36/1084502636.db2.gz FHVOHGVTSPKURC-UHFFFAOYSA-N 2 2 318.490 3.231 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167914868 1084645354 /nfs/dbraw/zinc/64/53/54/1084645354.db2.gz XNTSCCGSSUCQNS-MNZLEMJZSA-N 2 2 302.437 3.487 20 0 DGADLP Cc1cc[nH+]c2cc(Nc3cnn(CCC[NH+](C)C)c3)ccc12 ZINC001187162660 1084760875 /nfs/dbraw/zinc/76/08/75/1084760875.db2.gz AHNFMLJWMSAZNC-UHFFFAOYSA-N 2 2 309.417 3.435 20 0 DGADLP Clc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)s1 ZINC001167958458 1085614297 /nfs/dbraw/zinc/61/42/97/1085614297.db2.gz FFYJZOOGDGXLIH-YHWZYXNKSA-N 2 2 311.882 3.292 20 0 DGADLP Clc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167958458 1085614304 /nfs/dbraw/zinc/61/43/04/1085614304.db2.gz FFYJZOOGDGXLIH-YHWZYXNKSA-N 2 2 311.882 3.292 20 0 DGADLP Cn1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc21 ZINC001167971557 1085905603 /nfs/dbraw/zinc/90/56/03/1085905603.db2.gz YKJZILRREQJKOL-ALOPSCKCSA-N 2 2 324.472 3.068 20 0 DGADLP Cn1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc21 ZINC001167971557 1085905610 /nfs/dbraw/zinc/90/56/10/1085905610.db2.gz YKJZILRREQJKOL-ALOPSCKCSA-N 2 2 324.472 3.068 20 0 DGADLP CCN1CC[C@@H]([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168033426 1086472782 /nfs/dbraw/zinc/47/27/82/1086472782.db2.gz LMBMFXASXARFNB-ZHALLVOQSA-N 2 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039169 1086497037 /nfs/dbraw/zinc/49/70/37/1086497037.db2.gz BQFNHSGWEMKZFF-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039169 1086497043 /nfs/dbraw/zinc/49/70/43/1086497043.db2.gz BQFNHSGWEMKZFF-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039169 1086497048 /nfs/dbraw/zinc/49/70/48/1086497048.db2.gz BQFNHSGWEMKZFF-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039169 1086497052 /nfs/dbraw/zinc/49/70/52/1086497052.db2.gz BQFNHSGWEMKZFF-SFNKJDCFSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041777 1086511006 /nfs/dbraw/zinc/51/10/06/1086511006.db2.gz VHZARFCUNCMFJC-SMOSDQRPSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041777 1086511010 /nfs/dbraw/zinc/51/10/10/1086511010.db2.gz VHZARFCUNCMFJC-SMOSDQRPSA-N 2 2 314.473 3.291 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CC(C)C)C(C)C)c(C)[nH+]1 ZINC001271868923 1086799442 /nfs/dbraw/zinc/79/94/42/1086799442.db2.gz JHWXDNJINCDPIH-INIZCTEOSA-N 2 2 305.466 3.007 20 0 DGADLP CCC[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001088350807 1086847076 /nfs/dbraw/zinc/84/70/76/1086847076.db2.gz IWFWDQLYWOQZFH-KRWDZBQOSA-N 2 2 317.477 3.391 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168095037 1086858589 /nfs/dbraw/zinc/85/85/89/1086858589.db2.gz YWKDKXDYLXYZIY-BEFAXECRSA-N 2 2 320.452 3.256 20 0 DGADLP COCC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168178193 1087023102 /nfs/dbraw/zinc/02/31/02/1087023102.db2.gz ALQPWODDARKEOU-HNNXBMFYSA-N 2 2 324.896 3.314 20 0 DGADLP COCC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001168178193 1087023106 /nfs/dbraw/zinc/02/31/06/1087023106.db2.gz ALQPWODDARKEOU-HNNXBMFYSA-N 2 2 324.896 3.314 20 0 DGADLP COc1ccc2c(c1)C[C@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)C2 ZINC001168258673 1087076077 /nfs/dbraw/zinc/07/60/77/1087076077.db2.gz CPIAWHBCHLEWKL-GOSISDBHSA-N 2 2 319.408 3.357 20 0 DGADLP C[NH+](C)C1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001168329598 1087296434 /nfs/dbraw/zinc/29/64/34/1087296434.db2.gz YLSALOICRQEARA-UHFFFAOYSA-N 3 2 312.461 3.177 20 0 DGADLP C[NH+](C)C1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001168329598 1087296440 /nfs/dbraw/zinc/29/64/40/1087296440.db2.gz YLSALOICRQEARA-UHFFFAOYSA-N 3 2 312.461 3.177 20 0 DGADLP FC(F)(F)c1cccnc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168351561 1087304308 /nfs/dbraw/zinc/30/43/08/1087304308.db2.gz UZMSZSFMPJDLEU-UHFFFAOYSA-N 2 2 313.367 3.064 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cc(C)c(F)c(F)c3)CC2)cc[nH+]1 ZINC001143611290 1087395483 /nfs/dbraw/zinc/39/54/83/1087395483.db2.gz XOZWAOHJZCBWIP-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP C[C@@H]1C(=O)CC[N@H+](C2CC[NH+](CC3CC3)CC2)C12CCCC2 ZINC001168395388 1087552215 /nfs/dbraw/zinc/55/22/15/1087552215.db2.gz YIRGCXJNZIRVAT-OAHLLOKOSA-N 2 2 304.478 3.085 20 0 DGADLP C[C@@H]1C(=O)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C12CCCC2 ZINC001168395388 1087552217 /nfs/dbraw/zinc/55/22/17/1087552217.db2.gz YIRGCXJNZIRVAT-OAHLLOKOSA-N 2 2 304.478 3.085 20 0 DGADLP Clc1cc(-c2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c2)ccn1 ZINC001158628364 1087952399 /nfs/dbraw/zinc/95/23/99/1087952399.db2.gz GNQRZRVFFWVZCZ-CQSZACIVSA-N 2 2 302.809 3.351 20 0 DGADLP CCCc1cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc(C)[nH+]1 ZINC001159032243 1088150048 /nfs/dbraw/zinc/15/00/48/1088150048.db2.gz VOIOVBPIGIHTOB-UHFFFAOYSA-N 2 2 322.456 3.336 20 0 DGADLP Brc1cc(NC=CC2CC[NH2+]CC2)cn2cc[nH+]c12 ZINC001159269235 1088264794 /nfs/dbraw/zinc/26/47/94/1088264794.db2.gz ZOXQSMUPZLJXNT-ZZXKWVIFSA-N 2 2 321.222 3.022 20 0 DGADLP c1c[nH+]c(Nc2ccc3c(c2)CC[NH2+]C3)c(N2CCCCC2)c1 ZINC001159364592 1088320799 /nfs/dbraw/zinc/32/07/99/1088320799.db2.gz UCIFGZQOLSMUQX-UHFFFAOYSA-N 2 2 308.429 3.461 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]C1 ZINC001236010415 1088524116 /nfs/dbraw/zinc/52/41/16/1088524116.db2.gz RHZOMWCLEWZYHK-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]C1 ZINC001236010415 1088524127 /nfs/dbraw/zinc/52/41/27/1088524127.db2.gz RHZOMWCLEWZYHK-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001236067122 1088578835 /nfs/dbraw/zinc/57/88/35/1088578835.db2.gz MHIVXTYLWHJOES-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2Cl)C1 ZINC001236067122 1088578848 /nfs/dbraw/zinc/57/88/48/1088578848.db2.gz MHIVXTYLWHJOES-SNVBAGLBSA-N 2 2 306.759 3.400 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1cccc2[nH+]ccn21 ZINC001154526096 1088642988 /nfs/dbraw/zinc/64/29/88/1088642988.db2.gz JBIMRGCRUNSAFM-OAHLLOKOSA-N 2 2 320.396 3.083 20 0 DGADLP Cc1c[nH+]cc(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)c1C ZINC001160116033 1088646390 /nfs/dbraw/zinc/64/63/90/1088646390.db2.gz AWSPAIMVQCGQOQ-CYBMUJFWSA-N 2 2 300.381 3.119 20 0 DGADLP COc1cc[nH+]cc1Nc1cc(F)ccc1OC1CC[NH2+]CC1 ZINC001160134322 1088660071 /nfs/dbraw/zinc/66/00/71/1088660071.db2.gz KBPQFZZMEJWORP-UHFFFAOYSA-N 2 2 317.364 3.104 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236203143 1088697478 /nfs/dbraw/zinc/69/74/78/1088697478.db2.gz WBHNQHINYVPMFZ-AWEZNQCLSA-N 2 2 302.340 3.159 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236203143 1088697485 /nfs/dbraw/zinc/69/74/85/1088697485.db2.gz WBHNQHINYVPMFZ-AWEZNQCLSA-N 2 2 302.340 3.159 20 0 DGADLP c1cn2ccc(Nc3ccccc3O[C@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC001160234725 1088714220 /nfs/dbraw/zinc/71/42/20/1088714220.db2.gz YGZKTTHWDZOELW-HNNXBMFYSA-N 2 2 308.385 3.209 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cncn3C)C[C@@H]21 ZINC001204383790 1088845989 /nfs/dbraw/zinc/84/59/89/1088845989.db2.gz LEENTNQQGGKOEI-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cncn3C)C[C@@H]21 ZINC001204383790 1088846012 /nfs/dbraw/zinc/84/60/12/1088846012.db2.gz LEENTNQQGGKOEI-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cncn3C)C[C@@H]21 ZINC001204383790 1088846033 /nfs/dbraw/zinc/84/60/33/1088846033.db2.gz LEENTNQQGGKOEI-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cncn3C)C[C@@H]21 ZINC001204383790 1088846055 /nfs/dbraw/zinc/84/60/55/1088846055.db2.gz LEENTNQQGGKOEI-UFYCRDLUSA-N 2 2 324.472 3.031 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](Nc2cc(-c3ccnc(Cl)c3)cc[nH+]2)C1 ZINC001154975067 1088862780 /nfs/dbraw/zinc/86/27/80/1088862780.db2.gz GTYCKYJVLNQJAE-UONOGXRCSA-N 2 2 302.809 3.479 20 0 DGADLP CC[C@@H](C)c1nc2[nH]ccc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155063184 1088923200 /nfs/dbraw/zinc/92/32/00/1088923200.db2.gz NMNWNOLQHQADBO-GFCCVEGCSA-N 2 2 324.432 3.124 20 0 DGADLP CSc1cc(Cl)ncc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057332 1088925365 /nfs/dbraw/zinc/92/53/65/1088925365.db2.gz DJOMDRVOWHWBQH-UHFFFAOYSA-N 2 2 308.838 3.110 20 0 DGADLP Cc1c(F)cc[nH+]c1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001161103830 1089117379 /nfs/dbraw/zinc/11/73/79/1089117379.db2.gz JDNUAYOITSCZSX-UHFFFAOYSA-N 2 2 300.381 3.001 20 0 DGADLP Nc1[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)ccc1Cl ZINC001161234957 1089164338 /nfs/dbraw/zinc/16/43/38/1089164338.db2.gz ZDLXMQIJIIKIFA-UHFFFAOYSA-N 2 2 308.857 3.241 20 0 DGADLP Clc1ccc2c(cc[nH+]c2N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001155618185 1089189054 /nfs/dbraw/zinc/18/90/54/1089189054.db2.gz LMCBMVYGQCHMJS-RHSMWYFYSA-N 2 2 317.820 3.211 20 0 DGADLP CCSc1cc[nH+]c(N2CCC([NH3+])(c3cccnc3)CC2)c1 ZINC001161587892 1089299549 /nfs/dbraw/zinc/29/95/49/1089299549.db2.gz QOUSGDCYUSPNHD-UHFFFAOYSA-N 2 2 314.458 3.043 20 0 DGADLP Cc1c(F)cc[nH+]c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001156000417 1089339509 /nfs/dbraw/zinc/33/95/09/1089339509.db2.gz VQGDEXCDYRDMCX-UHFFFAOYSA-N 2 2 300.381 3.003 20 0 DGADLP Cc1nc(N2CC[NH2+]C[C@@H]2c2cccs2)cc(C(C)C)[nH+]1 ZINC001156089653 1089381202 /nfs/dbraw/zinc/38/12/02/1089381202.db2.gz QULGUHDCVLSZAY-CQSZACIVSA-N 2 2 302.447 3.121 20 0 DGADLP Cc1cc(N2CC[NH2+]C[C@@H]2c2cccs2)nc(C(C)(C)C)[nH+]1 ZINC001156109258 1089389161 /nfs/dbraw/zinc/38/91/61/1089389161.db2.gz AFKSYBJIGRGCKB-CYBMUJFWSA-N 2 2 316.474 3.295 20 0 DGADLP COC(=O)c1c(C)cc(C)[nH+]c1NCC1CC[NH+](C(C)C)CC1 ZINC001156495537 1089548812 /nfs/dbraw/zinc/54/88/12/1089548812.db2.gz GAOFJMJAAANMKX-UHFFFAOYSA-N 2 2 319.449 3.017 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](Nc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001162397448 1089713706 /nfs/dbraw/zinc/71/37/06/1089713706.db2.gz UTJUWTFTUXFOGG-VHSXEESVSA-N 2 2 309.211 3.007 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](Nc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001162397448 1089713721 /nfs/dbraw/zinc/71/37/21/1089713721.db2.gz UTJUWTFTUXFOGG-VHSXEESVSA-N 2 2 309.211 3.007 20 0 DGADLP Cc1cc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]cc1C(F)(F)F ZINC001162579166 1089803303 /nfs/dbraw/zinc/80/33/03/1089803303.db2.gz GZLGNAUCXPKWFU-CYBMUJFWSA-N 2 2 305.319 3.303 20 0 DGADLP COc1ccc2cc(NC[C@@]3(F)CCCC[NH2+]C3)[nH+]cc2c1 ZINC001162579676 1089806197 /nfs/dbraw/zinc/80/61/97/1089806197.db2.gz NHTHREHRUCTFNJ-QGZVFWFLSA-N 2 2 303.381 3.137 20 0 DGADLP FC1(F)C[NH2+]CC[C@@H]1CCNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001162814501 1089970775 /nfs/dbraw/zinc/97/07/75/1089970775.db2.gz QMJCUTNLSKQDKB-LLVKDONJSA-N 2 2 320.387 3.098 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)nc(C)[nH+]1 ZINC001163019017 1090055848 /nfs/dbraw/zinc/05/58/48/1090055848.db2.gz HPROIZQRXJIUOL-LJQANCHMSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)nc(C)[nH+]1 ZINC001163019017 1090055861 /nfs/dbraw/zinc/05/58/61/1090055861.db2.gz HPROIZQRXJIUOL-LJQANCHMSA-N 2 2 324.472 3.448 20 0 DGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(CC)[nH+]c(CC)n1 ZINC001163041506 1090060433 /nfs/dbraw/zinc/06/04/33/1090060433.db2.gz FASJFAZQSHFJHZ-UHFFFAOYSA-N 2 2 315.465 3.277 20 0 DGADLP CCC[NH+]1C[C@@H]2CN(c3[nH+]ccc4ccc(OC)cc43)C[C@H]2C1 ZINC001157689562 1090073833 /nfs/dbraw/zinc/07/38/33/1090073833.db2.gz AOCQCOQQVLCXMX-HZPDHXFCSA-N 2 2 311.429 3.021 20 0 DGADLP Cc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc(OC(F)F)[nH+]1 ZINC001163228856 1090126966 /nfs/dbraw/zinc/12/69/66/1090126966.db2.gz DNNPETPMFXKHON-LLVKDONJSA-N 2 2 311.357 3.309 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163310725 1090147836 /nfs/dbraw/zinc/14/78/36/1090147836.db2.gz OIJRTBYYNWFQFN-AZUAARDMSA-N 2 2 323.440 3.380 20 0 DGADLP Cc1c(F)cc[nH+]c1N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158166114 1090194819 /nfs/dbraw/zinc/19/48/19/1090194819.db2.gz FBGQYJXFCNPFRG-WKILWMFISA-N 2 2 314.408 3.201 20 0 DGADLP CC(C)N(CCC[NH3+])c1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001164126625 1090349781 /nfs/dbraw/zinc/34/97/81/1090349781.db2.gz BBMYNNLBWCYUFG-UHFFFAOYSA-N 2 2 300.328 3.145 20 0 DGADLP C[NH+](C)C1(CNc2ccc(-c3ccccc3)cn2)CC[NH+](C)CC1 ZINC001164206826 1090372049 /nfs/dbraw/zinc/37/20/49/1090372049.db2.gz GGUUWUOJJJZZTP-UHFFFAOYSA-N 2 2 324.472 3.187 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC001164493535 1090432332 /nfs/dbraw/zinc/43/23/32/1090432332.db2.gz UDXSBOIBOVPWMR-YTQUADARSA-N 2 2 322.456 3.446 20 0 DGADLP CNc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC001164493535 1090432333 /nfs/dbraw/zinc/43/23/33/1090432333.db2.gz UDXSBOIBOVPWMR-YTQUADARSA-N 2 2 322.456 3.446 20 0 DGADLP COc1cc[nH+]c(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001165200523 1090478884 /nfs/dbraw/zinc/47/88/84/1090478884.db2.gz FAZQOSHHRXZINZ-HOTGVXAUSA-N 2 2 311.429 3.189 20 0 DGADLP COc1cc[nH+]c(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001165200523 1090478887 /nfs/dbraw/zinc/47/88/87/1090478887.db2.gz FAZQOSHHRXZINZ-HOTGVXAUSA-N 2 2 311.429 3.189 20 0 DGADLP CCc1nc(N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001165202795 1090480183 /nfs/dbraw/zinc/48/01/83/1090480183.db2.gz OYSQBAAWNQPIKJ-IRXDYDNUSA-N 2 2 324.472 3.447 20 0 DGADLP CCc1nc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC001165202795 1090480187 /nfs/dbraw/zinc/48/01/87/1090480187.db2.gz OYSQBAAWNQPIKJ-IRXDYDNUSA-N 2 2 324.472 3.447 20 0 DGADLP COc1ccc2[nH+]c(N3CC[C@@]4(C3)CCC[NH2+]C4)cc(C)c2c1 ZINC001165238494 1090486420 /nfs/dbraw/zinc/48/64/20/1090486420.db2.gz CISWBNSXWJJYCV-IBGZPJMESA-N 2 2 311.429 3.132 20 0 DGADLP Cc1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC001165323384 1090504132 /nfs/dbraw/zinc/50/41/32/1090504132.db2.gz PRCVKPNNUQXGPD-INIZCTEOSA-N 2 2 300.450 3.021 20 0 DGADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc3sccc31)CC[NH2+]CC2 ZINC001165353978 1090510193 /nfs/dbraw/zinc/51/01/93/1090510193.db2.gz WRPAKKOEDHOWKI-UHFFFAOYSA-N 2 2 318.833 3.132 20 0 DGADLP CCn1nc(C)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1C ZINC001649038725 1090529937 /nfs/dbraw/zinc/52/99/37/1090529937.db2.gz SGMFDUCIKKMFPR-UHFFFAOYSA-N 2 2 315.446 3.057 20 0 DGADLP CC1(C[NH3+])C[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001206718658 1090660475 /nfs/dbraw/zinc/66/04/75/1090660475.db2.gz YAQXYBKUQBLNIP-UHFFFAOYSA-N 2 2 314.404 3.185 20 0 DGADLP Cc1ccc2c(C)cc(N3CC[C@H]([NH3+])C(F)(F)C3)[nH+]c2c1C ZINC001166961210 1090682934 /nfs/dbraw/zinc/68/29/34/1090682934.db2.gz MRJBLDYEFAFSHS-AWEZNQCLSA-N 2 2 305.372 3.333 20 0 DGADLP CC[NH+](CC)CCn1cc(Nc2ccccc2-n2cc[nH+]c2)cn1 ZINC001203259606 1090708583 /nfs/dbraw/zinc/70/85/83/1090708583.db2.gz HJPMOAKYRLODQL-UHFFFAOYSA-N 2 2 324.432 3.154 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001203796667 1090807618 /nfs/dbraw/zinc/80/76/18/1090807618.db2.gz RFMGOJBJBZQXHI-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1F ZINC001203796667 1090807622 /nfs/dbraw/zinc/80/76/22/1090807622.db2.gz RFMGOJBJBZQXHI-HNNXBMFYSA-N 2 2 316.376 3.191 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001203991925 1090860875 /nfs/dbraw/zinc/86/08/75/1090860875.db2.gz UXFXZPRCXJELHT-UHFFFAOYSA-N 2 2 307.397 3.103 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001203991925 1090860884 /nfs/dbraw/zinc/86/08/84/1090860884.db2.gz UXFXZPRCXJELHT-UHFFFAOYSA-N 2 2 307.397 3.103 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001204036082 1090878853 /nfs/dbraw/zinc/87/88/53/1090878853.db2.gz MNNDMQYTWXYRII-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC001204036082 1090878858 /nfs/dbraw/zinc/87/88/58/1090878858.db2.gz MNNDMQYTWXYRII-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC001204036082 1090878864 /nfs/dbraw/zinc/87/88/64/1090878864.db2.gz MNNDMQYTWXYRII-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC001204036082 1090878871 /nfs/dbraw/zinc/87/88/71/1090878871.db2.gz MNNDMQYTWXYRII-QGZVFWFLSA-N 2 2 308.491 3.071 20 0 DGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@H]2C1 ZINC001204089088 1090899155 /nfs/dbraw/zinc/89/91/55/1090899155.db2.gz KJDDFYRFKTXBLQ-LSJOCFKGSA-N 2 2 305.274 3.485 20 0 DGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)sc3Cl)[C@H]2C1 ZINC001204089088 1090899163 /nfs/dbraw/zinc/89/91/63/1090899163.db2.gz KJDDFYRFKTXBLQ-LSJOCFKGSA-N 2 2 305.274 3.485 20 0 DGADLP CCc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1 ZINC001204178827 1090915616 /nfs/dbraw/zinc/91/56/16/1090915616.db2.gz FZNMKKAKFJJVLT-UHFFFAOYSA-N 2 2 316.489 3.324 20 0 DGADLP COCC[N@H+](Cc1c(C)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001204289592 1090941660 /nfs/dbraw/zinc/94/16/60/1090941660.db2.gz ROTJSRBDSGQENL-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COCC[N@@H+](Cc1c(C)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001204289592 1090941663 /nfs/dbraw/zinc/94/16/63/1090941663.db2.gz ROTJSRBDSGQENL-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3C(C)=CCC[C@H]3C)CC2)c1 ZINC001204440948 1090969482 /nfs/dbraw/zinc/96/94/82/1090969482.db2.gz AWFAIGIHWRSVTL-SJLPKXTDSA-N 2 2 315.461 3.205 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204800777 1091038835 /nfs/dbraw/zinc/03/88/35/1091038835.db2.gz GMSSLVOZYYNWIW-HXUWFJFHSA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204800777 1091038841 /nfs/dbraw/zinc/03/88/41/1091038841.db2.gz GMSSLVOZYYNWIW-HXUWFJFHSA-N 2 2 324.424 3.063 20 0 DGADLP Cc1ccc(-c2ccccc2)cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168746300 1091043732 /nfs/dbraw/zinc/04/37/32/1091043732.db2.gz IUFFLBQLQQCMJA-UHFFFAOYSA-N 2 2 308.429 3.256 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204912360 1091061753 /nfs/dbraw/zinc/06/17/53/1091061753.db2.gz UOTUTNWWKGRKFV-HXUWFJFHSA-N 2 2 321.468 3.343 20 0 DGADLP CN(C)c1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204912360 1091061759 /nfs/dbraw/zinc/06/17/59/1091061759.db2.gz UOTUTNWWKGRKFV-HXUWFJFHSA-N 2 2 321.468 3.343 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)c2c1 ZINC001204945897 1091069705 /nfs/dbraw/zinc/06/97/05/1091069705.db2.gz KCNLGAQUEQCGFP-IBGZPJMESA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@](C)([NH3+])C3)c2c1 ZINC001204945897 1091069710 /nfs/dbraw/zinc/06/97/10/1091069710.db2.gz KCNLGAQUEQCGFP-IBGZPJMESA-N 2 2 314.429 3.170 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001205002066 1091080194 /nfs/dbraw/zinc/08/01/94/1091080194.db2.gz YOXJXNKSCVUBSB-LBPRGKRZSA-N 2 2 301.261 3.467 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001205002066 1091080200 /nfs/dbraw/zinc/08/02/00/1091080200.db2.gz YOXJXNKSCVUBSB-LBPRGKRZSA-N 2 2 301.261 3.467 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001205088241 1091099361 /nfs/dbraw/zinc/09/93/61/1091099361.db2.gz LXXWMKYOBGYPSH-HOCLYGCPSA-N 2 2 312.413 3.496 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001205088241 1091099366 /nfs/dbraw/zinc/09/93/66/1091099366.db2.gz LXXWMKYOBGYPSH-HOCLYGCPSA-N 2 2 312.413 3.496 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([NH3+])CC3)cs2)cc1 ZINC001205124684 1091108067 /nfs/dbraw/zinc/10/80/67/1091108067.db2.gz XYQBUZVAAFRHEZ-HNNXBMFYSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([NH3+])CC3)cs2)cc1 ZINC001205124684 1091108069 /nfs/dbraw/zinc/10/80/69/1091108069.db2.gz XYQBUZVAAFRHEZ-HNNXBMFYSA-N 2 2 301.459 3.432 20 0 DGADLP COc1cc(Cl)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001205129648 1091109180 /nfs/dbraw/zinc/10/91/80/1091109180.db2.gz QITRDNSJWFEDTP-UHFFFAOYSA-N 2 2 313.788 3.350 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205146513 1091112748 /nfs/dbraw/zinc/11/27/48/1091112748.db2.gz YEZHGAGDQBCJIC-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205146513 1091112749 /nfs/dbraw/zinc/11/27/49/1091112749.db2.gz YEZHGAGDQBCJIC-GXSJLCMTSA-N 2 2 306.759 3.385 20 0 DGADLP C[NH+]1CCC2(CC[N@H+](Cc3c(F)c(F)cc(F)c3F)C2)CC1 ZINC001138236840 1091122686 /nfs/dbraw/zinc/12/26/86/1091122686.db2.gz RLCLDDCMCKQSKH-UHFFFAOYSA-N 2 2 316.342 3.161 20 0 DGADLP C[NH+]1CCC2(CC[N@@H+](Cc3c(F)c(F)cc(F)c3F)C2)CC1 ZINC001138236840 1091122689 /nfs/dbraw/zinc/12/26/89/1091122689.db2.gz RLCLDDCMCKQSKH-UHFFFAOYSA-N 2 2 316.342 3.161 20 0 DGADLP COCC[N@H+](Cc1[nH]c2ccccc2c1C)C1CC[NH+](C)CC1 ZINC001138402007 1091170008 /nfs/dbraw/zinc/17/00/08/1091170008.db2.gz GUONICFXPXFHCU-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COCC[N@@H+](Cc1[nH]c2ccccc2c1C)C1CC[NH+](C)CC1 ZINC001138402007 1091170014 /nfs/dbraw/zinc/17/00/14/1091170014.db2.gz GUONICFXPXFHCU-UHFFFAOYSA-N 2 2 315.461 3.019 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304344 1091175211 /nfs/dbraw/zinc/17/52/11/1091175211.db2.gz OABAEXBEHYYCSC-AAEUAGOBSA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304344 1091175213 /nfs/dbraw/zinc/17/52/13/1091175213.db2.gz OABAEXBEHYYCSC-AAEUAGOBSA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304347 1091175625 /nfs/dbraw/zinc/17/56/25/1091175625.db2.gz OABAEXBEHYYCSC-YPMHNXCESA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304347 1091175631 /nfs/dbraw/zinc/17/56/31/1091175631.db2.gz OABAEXBEHYYCSC-YPMHNXCESA-N 2 2 316.367 3.131 20 0 DGADLP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431821 1091219623 /nfs/dbraw/zinc/21/96/23/1091219623.db2.gz UDRMNLHPWJNWFQ-AOIWGVFYSA-N 2 2 303.494 3.060 20 0 DGADLP CC[N@H+]1CCC[C@H](N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431821 1091219635 /nfs/dbraw/zinc/21/96/35/1091219635.db2.gz UDRMNLHPWJNWFQ-AOIWGVFYSA-N 2 2 303.494 3.060 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC001138552011 1091225934 /nfs/dbraw/zinc/22/59/34/1091225934.db2.gz UDROSJWXUJVKRJ-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC001138552011 1091225939 /nfs/dbraw/zinc/22/59/39/1091225939.db2.gz UDROSJWXUJVKRJ-SFHVURJKSA-N 2 2 319.412 3.308 20 0 DGADLP CCCCOc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205770819 1091338948 /nfs/dbraw/zinc/33/89/48/1091338948.db2.gz PHXYUFZYRNRFLS-HNNXBMFYSA-N 2 2 312.404 3.281 20 0 DGADLP CCCCOc1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205770819 1091338958 /nfs/dbraw/zinc/33/89/58/1091338958.db2.gz PHXYUFZYRNRFLS-HNNXBMFYSA-N 2 2 312.404 3.281 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205770169 1091340379 /nfs/dbraw/zinc/34/03/79/1091340379.db2.gz LCHXADDHAOWOLC-NSHDSACASA-N 2 2 311.351 3.031 20 0 DGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205770169 1091340391 /nfs/dbraw/zinc/34/03/91/1091340391.db2.gz LCHXADDHAOWOLC-NSHDSACASA-N 2 2 311.351 3.031 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4Cl)C[C@@H]2C1 ZINC001138837029 1091350443 /nfs/dbraw/zinc/35/04/43/1091350443.db2.gz IUFNINBQIKNYHE-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4Cl)C[C@@H]2C1 ZINC001138837029 1091350451 /nfs/dbraw/zinc/35/04/51/1091350451.db2.gz IUFNINBQIKNYHE-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4Cl)C[C@@H]2C1 ZINC001138837029 1091350460 /nfs/dbraw/zinc/35/04/60/1091350460.db2.gz IUFNINBQIKNYHE-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4Cl)C[C@@H]2C1 ZINC001138837029 1091350471 /nfs/dbraw/zinc/35/04/71/1091350471.db2.gz IUFNINBQIKNYHE-OKILXGFUSA-N 2 2 303.837 3.205 20 0 DGADLP COc1ccc2sc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205842922 1091375345 /nfs/dbraw/zinc/37/53/45/1091375345.db2.gz PWQXTHPIYPXVEK-GXTWGEPZSA-N 2 2 304.459 3.469 20 0 DGADLP COc1ccc2sc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205842922 1091375357 /nfs/dbraw/zinc/37/53/57/1091375357.db2.gz PWQXTHPIYPXVEK-GXTWGEPZSA-N 2 2 304.459 3.469 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001205844595 1091377328 /nfs/dbraw/zinc/37/73/28/1091377328.db2.gz XOBLTDWNOTVZSM-ZFWWWQNUSA-N 2 2 318.852 3.085 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205855669 1091379906 /nfs/dbraw/zinc/37/99/06/1091379906.db2.gz PAMNVZYXSWIBEH-CRAIPNDOSA-N 3 2 313.489 3.247 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205855669 1091379914 /nfs/dbraw/zinc/37/99/14/1091379914.db2.gz PAMNVZYXSWIBEH-CRAIPNDOSA-N 3 2 313.489 3.247 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1[NH3+] ZINC001205868910 1091386445 /nfs/dbraw/zinc/38/64/45/1091386445.db2.gz VVTUJJPPSLNNCA-QAPCUYQASA-N 2 2 320.440 3.195 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C[C@@H]1[NH3+] ZINC001205868910 1091386453 /nfs/dbraw/zinc/38/64/53/1091386453.db2.gz VVTUJJPPSLNNCA-QAPCUYQASA-N 2 2 320.440 3.195 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905263 1091403933 /nfs/dbraw/zinc/40/39/33/1091403933.db2.gz ZUDHLDZUEPDIMX-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905263 1091403935 /nfs/dbraw/zinc/40/39/35/1091403935.db2.gz ZUDHLDZUEPDIMX-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001139055295 1091432604 /nfs/dbraw/zinc/43/26/04/1091432604.db2.gz MTCIGGSWUXYKIK-WOJBJXKFSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001139055295 1091432612 /nfs/dbraw/zinc/43/26/12/1091432612.db2.gz MTCIGGSWUXYKIK-WOJBJXKFSA-N 2 2 314.473 3.141 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@H]1[NH3+] ZINC001206043471 1091467319 /nfs/dbraw/zinc/46/73/19/1091467319.db2.gz GJQIKBWWNYZZAR-QMTHXVAHSA-N 2 2 322.250 3.100 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C[C@H]1[NH3+] ZINC001206043471 1091467321 /nfs/dbraw/zinc/46/73/21/1091467321.db2.gz GJQIKBWWNYZZAR-QMTHXVAHSA-N 2 2 322.250 3.100 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H](C)[C@H]([NH3+])C3)c2c1 ZINC001206049846 1091468907 /nfs/dbraw/zinc/46/89/07/1091468907.db2.gz SUOHJUDSJIXAJG-FZKQIMNGSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H](C)[C@H]([NH3+])C3)c2c1 ZINC001206049846 1091468909 /nfs/dbraw/zinc/46/89/09/1091468909.db2.gz SUOHJUDSJIXAJG-FZKQIMNGSA-N 2 2 314.429 3.026 20 0 DGADLP CCc1ccc([C@H](C[NH2+]C2CC(OC)C2)[NH+](CC)CC)cc1 ZINC001206048259 1091469691 /nfs/dbraw/zinc/46/96/91/1091469691.db2.gz PPIROPSLAWPGRD-ACBHZAAOSA-N 2 2 304.478 3.399 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C[C@H]1[NH3+] ZINC001206075869 1091481862 /nfs/dbraw/zinc/48/18/62/1091481862.db2.gz ZOCXCEYZCNNKAW-KZULUSFZSA-N 2 2 302.368 3.411 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C[C@H]1[NH3+] ZINC001206075869 1091481867 /nfs/dbraw/zinc/48/18/67/1091481867.db2.gz ZOCXCEYZCNNKAW-KZULUSFZSA-N 2 2 302.368 3.411 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@H]1F ZINC001206172506 1091520436 /nfs/dbraw/zinc/52/04/36/1091520436.db2.gz ABUBEPHETZBGBD-SJORKVTESA-N 2 2 315.392 3.135 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nc2)CC[C@H]1F ZINC001206172506 1091520444 /nfs/dbraw/zinc/52/04/44/1091520444.db2.gz ABUBEPHETZBGBD-SJORKVTESA-N 2 2 315.392 3.135 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206175216 1091522524 /nfs/dbraw/zinc/52/25/24/1091522524.db2.gz SLLKRQOGAVBNSC-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206175216 1091522514 /nfs/dbraw/zinc/52/25/14/1091522514.db2.gz SLLKRQOGAVBNSC-UONOGXRCSA-N 2 2 315.230 3.019 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2nc3ccccc3cc2Cl)CC[C@H]1F ZINC001206201312 1091533572 /nfs/dbraw/zinc/53/35/72/1091533572.db2.gz WURPWJLSFMISJN-KGLIPLIRSA-N 2 2 307.800 3.149 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2nc3ccccc3cc2Cl)CC[C@H]1F ZINC001206201312 1091533576 /nfs/dbraw/zinc/53/35/76/1091533576.db2.gz WURPWJLSFMISJN-KGLIPLIRSA-N 2 2 307.800 3.149 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3Cc3ccccn3)cc2)c[nH+]1 ZINC001139360431 1091533687 /nfs/dbraw/zinc/53/36/87/1091533687.db2.gz VGBGSGFRDUNVHH-HXUWFJFHSA-N 2 2 318.424 3.474 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3Cc3ccccn3)cc2)c[nH+]1 ZINC001139360431 1091533695 /nfs/dbraw/zinc/53/36/95/1091533695.db2.gz VGBGSGFRDUNVHH-HXUWFJFHSA-N 2 2 318.424 3.474 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1OCO2 ZINC001139364513 1091535672 /nfs/dbraw/zinc/53/56/72/1091535672.db2.gz UPCAHOJSUQHKCY-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1OCO2 ZINC001139364513 1091535675 /nfs/dbraw/zinc/53/56/75/1091535675.db2.gz UPCAHOJSUQHKCY-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001206276241 1091559411 /nfs/dbraw/zinc/55/94/11/1091559411.db2.gz CTSLPPBLVIQOCM-AWEZNQCLSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)nc2)C1 ZINC001206276241 1091559416 /nfs/dbraw/zinc/55/94/16/1091559416.db2.gz CTSLPPBLVIQOCM-AWEZNQCLSA-N 2 2 315.848 3.443 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001206276572 1091560391 /nfs/dbraw/zinc/56/03/91/1091560391.db2.gz GRKCHRRRSSJVPB-ZDUSSCGKSA-N 2 2 317.383 3.068 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001206276572 1091560402 /nfs/dbraw/zinc/56/04/02/1091560402.db2.gz GRKCHRRRSSJVPB-ZDUSSCGKSA-N 2 2 317.383 3.068 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001206344273 1091586511 /nfs/dbraw/zinc/58/65/11/1091586511.db2.gz PZIRTZLCBXWGBJ-AWEZNQCLSA-N 2 2 304.331 3.358 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001206344273 1091586518 /nfs/dbraw/zinc/58/65/18/1091586518.db2.gz PZIRTZLCBXWGBJ-AWEZNQCLSA-N 2 2 304.331 3.358 20 0 DGADLP CCc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc(CC)c1O ZINC001206361496 1091598712 /nfs/dbraw/zinc/59/87/12/1091598712.db2.gz IHFIRHDMRZKJSR-GOSISDBHSA-N 2 2 308.441 3.170 20 0 DGADLP CCc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc(CC)c1O ZINC001206361496 1091598723 /nfs/dbraw/zinc/59/87/23/1091598723.db2.gz IHFIRHDMRZKJSR-GOSISDBHSA-N 2 2 308.441 3.170 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001206363619 1091599936 /nfs/dbraw/zinc/59/99/36/1091599936.db2.gz YTMRGKPZBVWKJQ-IBGZPJMESA-N 2 2 313.420 3.402 20 0 DGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001206363619 1091599940 /nfs/dbraw/zinc/59/99/40/1091599940.db2.gz YTMRGKPZBVWKJQ-IBGZPJMESA-N 2 2 313.420 3.402 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1C(C)C ZINC001139618545 1091622717 /nfs/dbraw/zinc/62/27/17/1091622717.db2.gz BBVRYVHRJHCZMS-UHFFFAOYSA-N 2 2 302.462 3.489 20 0 DGADLP CCOc1ccncc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001139631900 1091628637 /nfs/dbraw/zinc/62/86/37/1091628637.db2.gz IKVSPPFUTGPEGT-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccncc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001139631900 1091628641 /nfs/dbraw/zinc/62/86/41/1091628641.db2.gz IKVSPPFUTGPEGT-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206550234 1091665543 /nfs/dbraw/zinc/66/55/43/1091665543.db2.gz XXHQSQIGSDMJKY-LJQANCHMSA-N 3 2 312.461 3.132 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206550234 1091665546 /nfs/dbraw/zinc/66/55/46/1091665546.db2.gz XXHQSQIGSDMJKY-LJQANCHMSA-N 3 2 312.461 3.132 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001206563713 1091671770 /nfs/dbraw/zinc/67/17/70/1091671770.db2.gz HUAABRJHVGBQIW-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001206563713 1091671774 /nfs/dbraw/zinc/67/17/74/1091671774.db2.gz HUAABRJHVGBQIW-CQSZACIVSA-N 2 2 301.356 3.051 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206583827 1091677539 /nfs/dbraw/zinc/67/75/39/1091677539.db2.gz XAZFKVCLACUOME-OAHLLOKOSA-N 2 2 315.383 3.360 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206583827 1091677546 /nfs/dbraw/zinc/67/75/46/1091677546.db2.gz XAZFKVCLACUOME-OAHLLOKOSA-N 2 2 315.383 3.360 20 0 DGADLP CC(C)Oc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)cn1 ZINC001206606393 1091686875 /nfs/dbraw/zinc/68/68/75/1091686875.db2.gz MOLLGSLYEKXNLV-MRXNPFEDSA-N 2 2 323.456 3.360 20 0 DGADLP CC(C)Oc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(F)cn1 ZINC001206606393 1091686880 /nfs/dbraw/zinc/68/68/80/1091686880.db2.gz MOLLGSLYEKXNLV-MRXNPFEDSA-N 2 2 323.456 3.360 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001206624235 1091693644 /nfs/dbraw/zinc/69/36/44/1091693644.db2.gz RJQMOCVNKNWRCD-JTQLQIEISA-N 2 2 303.233 3.260 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001206624235 1091693647 /nfs/dbraw/zinc/69/36/47/1091693647.db2.gz RJQMOCVNKNWRCD-JTQLQIEISA-N 2 2 303.233 3.260 20 0 DGADLP C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206739655 1091718184 /nfs/dbraw/zinc/71/81/84/1091718184.db2.gz DLVSUFBFPJYOJY-UHFFFAOYSA-N 2 2 314.404 3.044 20 0 DGADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(C(F)(F)F)c1 ZINC001206769253 1091731296 /nfs/dbraw/zinc/73/12/96/1091731296.db2.gz NRUCYSMCGLBZLU-RYUDHWBXSA-N 2 2 316.367 3.273 20 0 DGADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(C(F)(F)F)c1 ZINC001206769253 1091731301 /nfs/dbraw/zinc/73/13/01/1091731301.db2.gz NRUCYSMCGLBZLU-RYUDHWBXSA-N 2 2 316.367 3.273 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001140022494 1091741700 /nfs/dbraw/zinc/74/17/00/1091741700.db2.gz HSXLDLLRICLZSR-HNAYVOBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001140022494 1091741705 /nfs/dbraw/zinc/74/17/05/1091741705.db2.gz HSXLDLLRICLZSR-HNAYVOBHSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(O)cc3Cl)CC2)cc[nH+]1 ZINC001140087431 1091762878 /nfs/dbraw/zinc/76/28/78/1091762878.db2.gz OBBZNWMUHURKIG-UHFFFAOYSA-N 2 2 317.820 3.071 20 0 DGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(O)cc2Cl)CC1 ZINC001140087607 1091764954 /nfs/dbraw/zinc/76/49/54/1091764954.db2.gz RONWLXZIBMTZRC-UHFFFAOYSA-N 2 2 317.820 3.071 20 0 DGADLP Cc1ccnc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001206846492 1091766425 /nfs/dbraw/zinc/76/64/25/1091766425.db2.gz MWYBQJGJFCVSIL-HOTGVXAUSA-N 2 2 313.470 3.015 20 0 DGADLP CCOC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC000716229218 1091767249 /nfs/dbraw/zinc/76/72/49/1091767249.db2.gz MRZXEGNGAXTMQZ-UHFFFAOYSA-N 2 2 302.462 3.056 20 0 DGADLP Oc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001140126610 1091774899 /nfs/dbraw/zinc/77/48/99/1091774899.db2.gz DOKQMDUHKJIMSY-INIZCTEOSA-N 2 2 306.425 3.372 20 0 DGADLP Oc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001140126610 1091774907 /nfs/dbraw/zinc/77/49/07/1091774907.db2.gz DOKQMDUHKJIMSY-INIZCTEOSA-N 2 2 306.425 3.372 20 0 DGADLP Oc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001140126613 1091774982 /nfs/dbraw/zinc/77/49/82/1091774982.db2.gz DOKQMDUHKJIMSY-MRXNPFEDSA-N 2 2 306.425 3.372 20 0 DGADLP Oc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001140126613 1091774992 /nfs/dbraw/zinc/77/49/92/1091774992.db2.gz DOKQMDUHKJIMSY-MRXNPFEDSA-N 2 2 306.425 3.372 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc(O)cc2F)C2CCCC2)CC1 ZINC001140130086 1091776891 /nfs/dbraw/zinc/77/68/91/1091776891.db2.gz HTKXGRIFABSEIS-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc(O)cc2F)C2CCCC2)CC1 ZINC001140130086 1091776897 /nfs/dbraw/zinc/77/68/97/1091776897.db2.gz HTKXGRIFABSEIS-UHFFFAOYSA-N 2 2 306.425 3.370 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381598 1091844438 /nfs/dbraw/zinc/84/44/38/1091844438.db2.gz FRMOEWGUEJUXBP-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381598 1091844443 /nfs/dbraw/zinc/84/44/43/1091844443.db2.gz FRMOEWGUEJUXBP-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381598 1091844449 /nfs/dbraw/zinc/84/44/49/1091844449.db2.gz FRMOEWGUEJUXBP-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)C[C@@H]21 ZINC001140381598 1091844453 /nfs/dbraw/zinc/84/44/53/1091844453.db2.gz FRMOEWGUEJUXBP-QUCCMNQESA-N 2 2 307.441 3.275 20 0 DGADLP Clc1cccc2[nH]cc(C[N@H+]3CCc4[nH+]ccn4CC3)c21 ZINC001140446719 1091868079 /nfs/dbraw/zinc/86/80/79/1091868079.db2.gz NHLYYOYKNJSXCD-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1cccc2[nH]cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c21 ZINC001140446719 1091868083 /nfs/dbraw/zinc/86/80/83/1091868083.db2.gz NHLYYOYKNJSXCD-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Cc1ccc(Cl)nc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001140447982 1091868711 /nfs/dbraw/zinc/86/87/11/1091868711.db2.gz CNBRFPBWNHKUJP-CQSZACIVSA-N 2 2 317.820 3.400 20 0 DGADLP Cc1ccc(Cl)nc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001140447982 1091868717 /nfs/dbraw/zinc/86/87/17/1091868717.db2.gz CNBRFPBWNHKUJP-CQSZACIVSA-N 2 2 317.820 3.400 20 0 DGADLP CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207173863 1091875040 /nfs/dbraw/zinc/87/50/40/1091875040.db2.gz LCWATHYIWLNLSY-KRWDZBQOSA-N 2 2 304.482 3.304 20 0 DGADLP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207173863 1091875047 /nfs/dbraw/zinc/87/50/47/1091875047.db2.gz LCWATHYIWLNLSY-KRWDZBQOSA-N 2 2 304.482 3.304 20 0 DGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)c1 ZINC001207255932 1091899743 /nfs/dbraw/zinc/89/97/43/1091899743.db2.gz CAJHLHTUBHXAOS-PMACEKPBSA-N 2 2 313.489 3.416 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001207372644 1091942521 /nfs/dbraw/zinc/94/25/21/1091942521.db2.gz URDUXCPVLUVKBV-CVEARBPZSA-N 2 2 304.434 3.048 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001207372644 1091942523 /nfs/dbraw/zinc/94/25/23/1091942523.db2.gz URDUXCPVLUVKBV-CVEARBPZSA-N 2 2 304.434 3.048 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1C ZINC001140656936 1091945976 /nfs/dbraw/zinc/94/59/76/1091945976.db2.gz UXGQRWKIRHIIIL-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1C ZINC001140656936 1091945983 /nfs/dbraw/zinc/94/59/83/1091945983.db2.gz UXGQRWKIRHIIIL-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805007 1092010347 /nfs/dbraw/zinc/01/03/47/1092010347.db2.gz OEFFFXDLMBTNJT-DLBZAZTESA-N 3 2 312.461 3.402 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805007 1092010352 /nfs/dbraw/zinc/01/03/52/1092010352.db2.gz OEFFFXDLMBTNJT-DLBZAZTESA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805007 1092010359 /nfs/dbraw/zinc/01/03/59/1092010359.db2.gz OEFFFXDLMBTNJT-DLBZAZTESA-N 3 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805007 1092010367 /nfs/dbraw/zinc/01/03/67/1092010367.db2.gz OEFFFXDLMBTNJT-DLBZAZTESA-N 3 2 312.461 3.402 20 0 DGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnco3)C[C@@H]21 ZINC001140929656 1092066361 /nfs/dbraw/zinc/06/63/61/1092066361.db2.gz AQLQZZJVRMUHFB-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnco3)C[C@@H]21 ZINC001140929656 1092066367 /nfs/dbraw/zinc/06/63/67/1092066367.db2.gz AQLQZZJVRMUHFB-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cnco3)C[C@@H]21 ZINC001140929656 1092066372 /nfs/dbraw/zinc/06/63/72/1092066372.db2.gz AQLQZZJVRMUHFB-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cnco3)C[C@@H]21 ZINC001140929656 1092066379 /nfs/dbraw/zinc/06/63/79/1092066379.db2.gz AQLQZZJVRMUHFB-FHWLQOOXSA-N 2 2 311.429 3.285 20 0 DGADLP CC[NH+]1CCC(CC2CC[NH+](Cc3cc(C)[nH]n3)CC2)CC1 ZINC001203080907 1092071693 /nfs/dbraw/zinc/07/16/93/1092071693.db2.gz HAKAKILTUMVJOU-UHFFFAOYSA-N 2 2 304.482 3.052 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCSCC1 ZINC001207755286 1092092170 /nfs/dbraw/zinc/09/21/70/1092092170.db2.gz FYTWOGPJTPQVFQ-UHFFFAOYSA-N 2 2 301.459 3.447 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCSCC1 ZINC001207755286 1092092180 /nfs/dbraw/zinc/09/21/80/1092092180.db2.gz FYTWOGPJTPQVFQ-UHFFFAOYSA-N 2 2 301.459 3.447 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545561 1092106691 /nfs/dbraw/zinc/10/66/91/1092106691.db2.gz WWKOINSYLRBHKV-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545561 1092106694 /nfs/dbraw/zinc/10/66/94/1092106694.db2.gz WWKOINSYLRBHKV-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545561 1092106698 /nfs/dbraw/zinc/10/66/98/1092106698.db2.gz WWKOINSYLRBHKV-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545561 1092106700 /nfs/dbraw/zinc/10/67/00/1092106700.db2.gz WWKOINSYLRBHKV-LJQANCHMSA-N 2 2 317.477 3.188 20 0 DGADLP CC1(C)CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC001207836487 1092113943 /nfs/dbraw/zinc/11/39/43/1092113943.db2.gz IITSOVSERLAFKI-QGZVFWFLSA-N 2 2 315.505 3.365 20 0 DGADLP CC1(C)CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC001207836487 1092113953 /nfs/dbraw/zinc/11/39/53/1092113953.db2.gz IITSOVSERLAFKI-QGZVFWFLSA-N 2 2 315.505 3.365 20 0 DGADLP COc1ccc2nccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC001141151368 1092152078 /nfs/dbraw/zinc/15/20/78/1092152078.db2.gz JLWQXVJKIGVGPM-UHFFFAOYSA-N 2 2 322.412 3.277 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001207950203 1092154791 /nfs/dbraw/zinc/15/47/91/1092154791.db2.gz PLRJUIATFBHPSF-KRWDZBQOSA-N 2 2 300.402 3.377 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001207950203 1092154794 /nfs/dbraw/zinc/15/47/94/1092154794.db2.gz PLRJUIATFBHPSF-KRWDZBQOSA-N 2 2 300.402 3.377 20 0 DGADLP C[NH+]1CCC2(C[NH+](Cc3csc(-c4ccccc4)n3)C2)CC1 ZINC001141213183 1092181277 /nfs/dbraw/zinc/18/12/77/1092181277.db2.gz SQWRPQFKMBSYAL-UHFFFAOYSA-N 2 2 313.470 3.338 20 0 DGADLP CCCCC[NH+]1CCN(Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001141242512 1092190789 /nfs/dbraw/zinc/19/07/89/1092190789.db2.gz YJBWEWCIXAFXIM-UHFFFAOYSA-N 2 2 312.461 3.180 20 0 DGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1cccc2c1OCO2 ZINC001141246285 1092191711 /nfs/dbraw/zinc/19/17/11/1092191711.db2.gz ZPNYNEPAFLHNOJ-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1cccc2c1OCO2 ZINC001141246285 1092191719 /nfs/dbraw/zinc/19/17/19/1092191719.db2.gz ZPNYNEPAFLHNOJ-UHFFFAOYSA-N 2 2 321.380 3.233 20 0 DGADLP c1c(CCNc2ccc([C@H]3CCC[NH2+]3)cc2)[nH+]c2ccccn12 ZINC001169005123 1092482457 /nfs/dbraw/zinc/48/24/57/1092482457.db2.gz XNNUDRVMAUDXEX-GOSISDBHSA-N 2 2 306.413 3.413 20 0 DGADLP Brc1cccc(CCC[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC001208825421 1092527402 /nfs/dbraw/zinc/52/74/02/1092527402.db2.gz GBJRIAHAGPEJPL-UHFFFAOYSA-N 2 2 323.278 3.162 20 0 DGADLP Brc1cccc(CCC[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC001208825421 1092527411 /nfs/dbraw/zinc/52/74/11/1092527411.db2.gz GBJRIAHAGPEJPL-UHFFFAOYSA-N 2 2 323.278 3.162 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001169123050 1092545737 /nfs/dbraw/zinc/54/57/37/1092545737.db2.gz IGZHBKMCHQWGBL-FRYIKTPZSA-N 3 2 317.521 3.022 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001169123050 1092545745 /nfs/dbraw/zinc/54/57/45/1092545745.db2.gz IGZHBKMCHQWGBL-FRYIKTPZSA-N 3 2 317.521 3.022 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123131 1092546079 /nfs/dbraw/zinc/54/60/79/1092546079.db2.gz JEYOZYOIWHJSML-FQLMCAECSA-N 2 2 306.837 3.378 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123131 1092546086 /nfs/dbraw/zinc/54/60/86/1092546086.db2.gz JEYOZYOIWHJSML-FQLMCAECSA-N 2 2 306.837 3.378 20 0 DGADLP C[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933866 1092595208 /nfs/dbraw/zinc/59/52/08/1092595208.db2.gz WPJDRZAOYHGLBA-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933866 1092595218 /nfs/dbraw/zinc/59/52/18/1092595218.db2.gz WPJDRZAOYHGLBA-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1ccccn1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933866 1092595226 /nfs/dbraw/zinc/59/52/26/1092595226.db2.gz WPJDRZAOYHGLBA-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+](Cc1ccccn1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933866 1092595234 /nfs/dbraw/zinc/59/52/34/1092595234.db2.gz WPJDRZAOYHGLBA-IBGZPJMESA-N 2 2 309.457 3.426 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC34COC4)C2)cc1 ZINC001208935500 1092597213 /nfs/dbraw/zinc/59/72/13/1092597213.db2.gz KOEDPZMIUVXAON-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC34COC4)C2)cc1 ZINC001208935500 1092597219 /nfs/dbraw/zinc/59/72/19/1092597219.db2.gz KOEDPZMIUVXAON-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCCC34COC4)C2)cc1 ZINC001208935500 1092597224 /nfs/dbraw/zinc/59/72/24/1092597224.db2.gz KOEDPZMIUVXAON-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCCC34COC4)C2)cc1 ZINC001208935500 1092597231 /nfs/dbraw/zinc/59/72/31/1092597231.db2.gz KOEDPZMIUVXAON-LJQANCHMSA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCc4cccnc4C3)C2)cc1 ZINC001208939941 1092600683 /nfs/dbraw/zinc/60/06/83/1092600683.db2.gz MBEOPDISCYOOJW-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCc4cccnc4C3)C2)cc1 ZINC001208939941 1092600690 /nfs/dbraw/zinc/60/06/90/1092600690.db2.gz MBEOPDISCYOOJW-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCc4cccnc4C3)C2)cc1 ZINC001208939941 1092600695 /nfs/dbraw/zinc/60/06/95/1092600695.db2.gz MBEOPDISCYOOJW-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCc4cccnc4C3)C2)cc1 ZINC001208939941 1092600702 /nfs/dbraw/zinc/60/07/02/1092600702.db2.gz MBEOPDISCYOOJW-LJQANCHMSA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCc4cccnc4C3)C2)cc1 ZINC001208939940 1092601147 /nfs/dbraw/zinc/60/11/47/1092601147.db2.gz MBEOPDISCYOOJW-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCc4cccnc4C3)C2)cc1 ZINC001208939940 1092601150 /nfs/dbraw/zinc/60/11/50/1092601150.db2.gz MBEOPDISCYOOJW-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCc4cccnc4C3)C2)cc1 ZINC001208939940 1092601154 /nfs/dbraw/zinc/60/11/54/1092601154.db2.gz MBEOPDISCYOOJW-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCc4cccnc4C3)C2)cc1 ZINC001208939940 1092601158 /nfs/dbraw/zinc/60/11/58/1092601158.db2.gz MBEOPDISCYOOJW-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP CC(=O)C1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938358 1092601251 /nfs/dbraw/zinc/60/12/51/1092601251.db2.gz BBIFKIFYJYDMDB-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)C1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938358 1092601253 /nfs/dbraw/zinc/60/12/53/1092601253.db2.gz BBIFKIFYJYDMDB-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941364 1092603889 /nfs/dbraw/zinc/60/38/89/1092603889.db2.gz YKJBIKCGOCWGQF-PMACEKPBSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208941364 1092603893 /nfs/dbraw/zinc/60/38/93/1092603893.db2.gz YKJBIKCGOCWGQF-PMACEKPBSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941364 1092603898 /nfs/dbraw/zinc/60/38/98/1092603898.db2.gz YKJBIKCGOCWGQF-PMACEKPBSA-N 2 2 314.473 3.200 20 0 DGADLP CC(=O)[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941364 1092603903 /nfs/dbraw/zinc/60/39/03/1092603903.db2.gz YKJBIKCGOCWGQF-PMACEKPBSA-N 2 2 314.473 3.200 20 0 DGADLP CC[NH+]1CCC([N@H+]2CC=C(c3ccc(OC)cc3)CC2)CC1 ZINC001169265578 1092609371 /nfs/dbraw/zinc/60/93/71/1092609371.db2.gz YFGVEWUKHIXNNZ-UHFFFAOYSA-N 2 2 300.446 3.269 20 0 DGADLP CC[NH+]1CCC([N@@H+]2CC=C(c3ccc(OC)cc3)CC2)CC1 ZINC001169265578 1092609374 /nfs/dbraw/zinc/60/93/74/1092609374.db2.gz YFGVEWUKHIXNNZ-UHFFFAOYSA-N 2 2 300.446 3.269 20 0 DGADLP C[NH+]1CCC([N@H+](CCCc2ccncc2)C2CCCC2)CC1 ZINC001209191108 1092687858 /nfs/dbraw/zinc/68/78/58/1092687858.db2.gz GPVFVXCBRIQXAP-UHFFFAOYSA-N 2 2 301.478 3.353 20 0 DGADLP C[NH+]1CCC([N@@H+](CCCc2ccncc2)C2CCCC2)CC1 ZINC001209191108 1092687865 /nfs/dbraw/zinc/68/78/65/1092687865.db2.gz GPVFVXCBRIQXAP-UHFFFAOYSA-N 2 2 301.478 3.353 20 0 DGADLP COCCCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209219411 1092697941 /nfs/dbraw/zinc/69/79/41/1092697941.db2.gz ISISHJOWOLKFDA-UHFFFAOYSA-N 2 2 308.441 3.149 20 0 DGADLP COCCCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209219411 1092697945 /nfs/dbraw/zinc/69/79/45/1092697945.db2.gz ISISHJOWOLKFDA-UHFFFAOYSA-N 2 2 308.441 3.149 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC[NH+]1CCCCC1 ZINC001209450041 1092778789 /nfs/dbraw/zinc/77/87/89/1092778789.db2.gz FJSCJZLNDBZPJJ-OALUTQOASA-N 3 2 307.526 3.201 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CCC[NH+]1CCCCC1 ZINC001209450041 1092778799 /nfs/dbraw/zinc/77/87/99/1092778799.db2.gz FJSCJZLNDBZPJJ-OALUTQOASA-N 3 2 307.526 3.201 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209450041 1092778807 /nfs/dbraw/zinc/77/88/07/1092778807.db2.gz FJSCJZLNDBZPJJ-OALUTQOASA-N 3 2 307.526 3.201 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209450041 1092778818 /nfs/dbraw/zinc/77/88/18/1092778818.db2.gz FJSCJZLNDBZPJJ-OALUTQOASA-N 3 2 307.526 3.201 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725607 1092893566 /nfs/dbraw/zinc/89/35/66/1092893566.db2.gz PUZNZVQJQVGGNB-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725607 1092893577 /nfs/dbraw/zinc/89/35/77/1092893577.db2.gz PUZNZVQJQVGGNB-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725607 1092893582 /nfs/dbraw/zinc/89/35/82/1092893582.db2.gz PUZNZVQJQVGGNB-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4cc(Cl)ccc4[nH]3)C2)C1 ZINC001209725607 1092893591 /nfs/dbraw/zinc/89/35/91/1092893591.db2.gz PUZNZVQJQVGGNB-QGZVFWFLSA-N 2 2 303.837 3.349 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1)Cc1c[nH+]ccc1N ZINC001209737389 1092898167 /nfs/dbraw/zinc/89/81/67/1092898167.db2.gz MCMPRMZKHGDTEG-UHFFFAOYSA-N 2 2 320.234 3.279 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209762793 1092907391 /nfs/dbraw/zinc/90/73/91/1092907391.db2.gz ZIPAVFJNRIYAAX-UHFFFAOYSA-N 2 2 308.857 3.380 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209762793 1092907399 /nfs/dbraw/zinc/90/73/99/1092907399.db2.gz ZIPAVFJNRIYAAX-UHFFFAOYSA-N 2 2 308.857 3.380 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682651 1093132683 /nfs/dbraw/zinc/13/26/83/1093132683.db2.gz UURHQMGOWGBVRH-LMMKCTJWSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]c(C)[nH]1)C2 ZINC001276682651 1093132687 /nfs/dbraw/zinc/13/26/87/1093132687.db2.gz UURHQMGOWGBVRH-LMMKCTJWSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682651 1093132690 /nfs/dbraw/zinc/13/26/90/1093132690.db2.gz UURHQMGOWGBVRH-LMMKCTJWSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1c[nH]c(C)[nH+]1)C2 ZINC001276682651 1093132692 /nfs/dbraw/zinc/13/26/92/1093132692.db2.gz UURHQMGOWGBVRH-LMMKCTJWSA-N 2 2 318.509 3.441 20 0 DGADLP COc1cc(OC)c(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c2ccccc12 ZINC001210520350 1093195960 /nfs/dbraw/zinc/19/59/60/1093195960.db2.gz YKCVPXYYFGOKMP-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP COc1cc(OC)c(C[N@H+]2CC[NH2+][C@@H](C)CC2)c2ccccc12 ZINC001210520350 1093195964 /nfs/dbraw/zinc/19/59/64/1093195964.db2.gz YKCVPXYYFGOKMP-AWEZNQCLSA-N 2 2 314.429 3.041 20 0 DGADLP CC(C)(C)c1cc(C[NH+]2CC(C[NH3+])C2)cc(C(C)(C)C)c1O ZINC001210542768 1093201639 /nfs/dbraw/zinc/20/16/39/1093201639.db2.gz AAVXJEXNULGHML-UHFFFAOYSA-N 2 2 304.478 3.378 20 0 DGADLP CCCC[C@@H](CC)CN1CCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001276695844 1093408291 /nfs/dbraw/zinc/40/82/91/1093408291.db2.gz GVLISZIRQGYENV-GOSISDBHSA-N 2 2 321.553 3.305 20 0 DGADLP C[N@@H+]1CCc2ncc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2C1 ZINC001213086178 1093513128 /nfs/dbraw/zinc/51/31/28/1093513128.db2.gz ISVJCWYDYVUZGX-UHFFFAOYSA-N 2 2 305.385 3.203 20 0 DGADLP C[N@H+]1CCc2ncc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2C1 ZINC001213086178 1093513134 /nfs/dbraw/zinc/51/31/34/1093513134.db2.gz ISVJCWYDYVUZGX-UHFFFAOYSA-N 2 2 305.385 3.203 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001213494686 1093597250 /nfs/dbraw/zinc/59/72/50/1093597250.db2.gz GCHVVCOUOUYPBG-UHFFFAOYSA-N 2 2 310.401 3.243 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000303394492 1093808594 /nfs/dbraw/zinc/80/85/94/1093808594.db2.gz UHZHYASFHYFHOY-AZUAARDMSA-N 2 2 315.505 3.115 20 0 DGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc[nH+]c(NC)c1 ZINC001216333501 1094176588 /nfs/dbraw/zinc/17/65/88/1094176588.db2.gz BMOMRQOYRYHTAI-UHFFFAOYSA-N 2 2 324.388 3.019 20 0 DGADLP Cc1nnsc1[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001119856209 1094300108 /nfs/dbraw/zinc/30/01/08/1094300108.db2.gz XBQFRQQBDSEFTP-CYBMUJFWSA-N 2 2 318.446 3.154 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001135042429 1094373503 /nfs/dbraw/zinc/37/35/03/1094373503.db2.gz BJTIONVAJULMHQ-HIFRSBDPSA-N 2 2 317.477 3.293 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\Cl)c(C)[nH+]1 ZINC001135044768 1094380354 /nfs/dbraw/zinc/38/03/54/1094380354.db2.gz ZYRLSJQTQLDVQS-PFBXESSKSA-N 2 2 323.868 3.246 20 0 DGADLP CC(C)c1ccc(-c2nnc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)o2)cc1 ZINC001217698466 1094475733 /nfs/dbraw/zinc/47/57/33/1094475733.db2.gz DHZBPVKMLPPBES-QGZVFWFLSA-N 2 2 322.412 3.486 20 0 DGADLP Cn1c[nH+]cc1-c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC001218488978 1094817116 /nfs/dbraw/zinc/81/71/16/1094817116.db2.gz MRRMZUONAHCALO-LJQANCHMSA-N 2 2 305.381 3.310 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]([NH3+])CCC(C)C)cc2)[nH+]c1C ZINC001337069391 1094838848 /nfs/dbraw/zinc/83/88/48/1094838848.db2.gz USHACDMJKDBOLK-MRXNPFEDSA-N 2 2 314.433 3.396 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218788789 1094868105 /nfs/dbraw/zinc/86/81/05/1094868105.db2.gz YROMQUHVWGMJJQ-NVXWUHKLSA-N 2 2 320.396 3.014 20 0 DGADLP Cc1[nH+]c2c(n1[C@@H]1CCc3cccc(Cl)c3C1)CC[NH2+]CC2 ZINC001170915443 1094918913 /nfs/dbraw/zinc/91/89/13/1094918913.db2.gz ACROSYYMIJEPDH-CQSZACIVSA-N 2 2 315.848 3.263 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000310828997 1094942251 /nfs/dbraw/zinc/94/22/51/1094942251.db2.gz FRPZYJAGYCYZIS-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000310828997 1094942266 /nfs/dbraw/zinc/94/22/66/1094942266.db2.gz FRPZYJAGYCYZIS-NSHDSACASA-N 2 2 315.230 3.149 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1Br ZINC001276804874 1094976584 /nfs/dbraw/zinc/97/65/84/1094976584.db2.gz MKRHGXFCMABPCN-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccc1Br ZINC001276804874 1094976589 /nfs/dbraw/zinc/97/65/89/1094976589.db2.gz MKRHGXFCMABPCN-GOOCMWNKSA-N 2 2 323.278 3.472 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccsc2Br)CC[NH2+]1 ZINC001246250094 1095139700 /nfs/dbraw/zinc/13/97/00/1095139700.db2.gz OSFQLWKHCUJAJO-NWDGAFQWSA-N 2 2 317.296 3.377 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn2ccccc2n1 ZINC001136881944 1095215151 /nfs/dbraw/zinc/21/51/51/1095215151.db2.gz QOUNXHNDTUHVJN-ZWKOTPCHSA-N 2 2 312.461 3.173 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn2ccccc2n1 ZINC001136881944 1095215161 /nfs/dbraw/zinc/21/51/61/1095215161.db2.gz QOUNXHNDTUHVJN-ZWKOTPCHSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2n1 ZINC001136881944 1095215171 /nfs/dbraw/zinc/21/51/71/1095215171.db2.gz QOUNXHNDTUHVJN-ZWKOTPCHSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cn2ccccc2n1 ZINC001136881944 1095215186 /nfs/dbraw/zinc/21/51/86/1095215186.db2.gz QOUNXHNDTUHVJN-ZWKOTPCHSA-N 2 2 312.461 3.173 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171056889 1095219284 /nfs/dbraw/zinc/21/92/84/1095219284.db2.gz ORHGPYWOHLUPAE-OAHLLOKOSA-N 2 2 303.837 3.416 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171056889 1095219294 /nfs/dbraw/zinc/21/92/94/1095219294.db2.gz ORHGPYWOHLUPAE-OAHLLOKOSA-N 2 2 303.837 3.416 20 0 DGADLP Clc1cc2ccccc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154113 1095461579 /nfs/dbraw/zinc/46/15/79/1095461579.db2.gz FQXHCCHOFWSIOQ-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cc2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154113 1095461580 /nfs/dbraw/zinc/46/15/80/1095461580.db2.gz FQXHCCHOFWSIOQ-SFHVURJKSA-N 2 2 315.848 3.464 20 0 DGADLP Clc1cccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222160318 1095467807 /nfs/dbraw/zinc/46/78/07/1095467807.db2.gz FLMKGDGFXICEFC-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222160318 1095467813 /nfs/dbraw/zinc/46/78/13/1095467813.db2.gz FLMKGDGFXICEFC-KRWDZBQOSA-N 2 2 307.869 3.481 20 0 DGADLP c1c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nn2ccccc12 ZINC001222171372 1095476281 /nfs/dbraw/zinc/47/62/81/1095476281.db2.gz AOGZSSCQIRXPQH-LJQANCHMSA-N 2 2 312.461 3.080 20 0 DGADLP c1c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)nn2ccccc12 ZINC001222171372 1095476290 /nfs/dbraw/zinc/47/62/90/1095476290.db2.gz AOGZSSCQIRXPQH-LJQANCHMSA-N 2 2 312.461 3.080 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2c1 ZINC001222237828 1095505141 /nfs/dbraw/zinc/50/51/41/1095505141.db2.gz UQVUQGUWTPZGGX-GOSISDBHSA-N 2 2 300.402 3.159 20 0 DGADLP COc1ccc2oc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2c1 ZINC001222237828 1095505146 /nfs/dbraw/zinc/50/51/46/1095505146.db2.gz UQVUQGUWTPZGGX-GOSISDBHSA-N 2 2 300.402 3.159 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138229 1095507078 /nfs/dbraw/zinc/50/70/78/1095507078.db2.gz BPZFRFYJXROZLU-GWCFXTLKSA-N 2 2 301.261 3.390 20 0 DGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138233 1095507675 /nfs/dbraw/zinc/50/76/75/1095507675.db2.gz BPZFRFYJXROZLU-GXFFZTMASA-N 2 2 301.261 3.390 20 0 DGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171138236 1095508139 /nfs/dbraw/zinc/50/81/39/1095508139.db2.gz BPZFRFYJXROZLU-MFKMUULPSA-N 2 2 301.261 3.390 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222243589 1095508078 /nfs/dbraw/zinc/50/80/78/1095508078.db2.gz MQESBIZESZZMGM-IBGZPJMESA-N 2 2 310.445 3.103 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222243589 1095508095 /nfs/dbraw/zinc/50/80/95/1095508095.db2.gz MQESBIZESZZMGM-IBGZPJMESA-N 2 2 310.445 3.103 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272064 1095523991 /nfs/dbraw/zinc/52/39/91/1095523991.db2.gz MPBKPORPSZSIAD-HXUWFJFHSA-N 2 2 324.472 3.053 20 0 DGADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272064 1095524001 /nfs/dbraw/zinc/52/40/01/1095524001.db2.gz MPBKPORPSZSIAD-HXUWFJFHSA-N 2 2 324.472 3.053 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222282797 1095527858 /nfs/dbraw/zinc/52/78/58/1095527858.db2.gz NXGGIWSIZCOTOX-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222282797 1095527868 /nfs/dbraw/zinc/52/78/68/1095527868.db2.gz NXGGIWSIZCOTOX-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP Clc1ccc2c(c1)[nH]nc2C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222461242 1095625704 /nfs/dbraw/zinc/62/57/04/1095625704.db2.gz PKNRBBGARWWHRT-UHFFFAOYSA-N 2 2 318.852 3.182 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465492 1095626758 /nfs/dbraw/zinc/62/67/58/1095626758.db2.gz SIALKGLQHBVELJ-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465492 1095626764 /nfs/dbraw/zinc/62/67/64/1095626764.db2.gz SIALKGLQHBVELJ-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP [NH3+]CC1(F)CC[NH+](Cc2c(Cl)cc(F)cc2Cl)CC1 ZINC001222552288 1095663388 /nfs/dbraw/zinc/66/33/88/1095663388.db2.gz ATMFWYRLPIUSRA-UHFFFAOYSA-N 2 2 309.187 3.395 20 0 DGADLP Cn1cc(-c2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2)cn1 ZINC001339600989 1095670271 /nfs/dbraw/zinc/67/02/71/1095670271.db2.gz YIPOKYOMNGOHDC-UHFFFAOYSA-N 2 2 321.428 3.190 20 0 DGADLP Cn1cc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)cn1 ZINC001116877707 1095686859 /nfs/dbraw/zinc/68/68/59/1095686859.db2.gz PSGUNDDDBZKFLD-UHFFFAOYSA-N 2 2 321.428 3.121 20 0 DGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222623838 1095697873 /nfs/dbraw/zinc/69/78/73/1095697873.db2.gz NZSPVUUDRBTZDR-XJKSGUPXSA-N 2 2 323.278 3.195 20 0 DGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222623838 1095697876 /nfs/dbraw/zinc/69/78/76/1095697876.db2.gz NZSPVUUDRBTZDR-XJKSGUPXSA-N 2 2 323.278 3.195 20 0 DGADLP COCC[N@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001137653459 1095702358 /nfs/dbraw/zinc/70/23/58/1095702358.db2.gz QYUDHBWUWUUXKA-UHFFFAOYSA-N 2 2 314.832 3.022 20 0 DGADLP COCC[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001137653459 1095702371 /nfs/dbraw/zinc/70/23/71/1095702371.db2.gz QYUDHBWUWUUXKA-UHFFFAOYSA-N 2 2 314.832 3.022 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001137750115 1095729942 /nfs/dbraw/zinc/72/99/42/1095729942.db2.gz FTTPBURQYMUULU-LSDHHAIUSA-N 2 2 324.900 3.221 20 0 DGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001137750115 1095729954 /nfs/dbraw/zinc/72/99/54/1095729954.db2.gz FTTPBURQYMUULU-LSDHHAIUSA-N 2 2 324.900 3.221 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001137750115 1095729966 /nfs/dbraw/zinc/72/99/66/1095729966.db2.gz FTTPBURQYMUULU-LSDHHAIUSA-N 2 2 324.900 3.221 20 0 DGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001137750115 1095729977 /nfs/dbraw/zinc/72/99/77/1095729977.db2.gz FTTPBURQYMUULU-LSDHHAIUSA-N 2 2 324.900 3.221 20 0 DGADLP CC[N@H+](Cc1cccc(-c2cncnc2)c1)C1CC[NH+](C)CC1 ZINC001137768952 1095737538 /nfs/dbraw/zinc/73/75/38/1095737538.db2.gz IMJDWLLATSIAIU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP CC[N@@H+](Cc1cccc(-c2cncnc2)c1)C1CC[NH+](C)CC1 ZINC001137768952 1095737547 /nfs/dbraw/zinc/73/75/47/1095737547.db2.gz IMJDWLLATSIAIU-UHFFFAOYSA-N 2 2 310.445 3.060 20 0 DGADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001137848103 1095762970 /nfs/dbraw/zinc/76/29/70/1095762970.db2.gz STSDJMNQGMRDRD-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865116 1095875391 /nfs/dbraw/zinc/87/53/91/1095875391.db2.gz RDMHRURGVDQYHN-SFHVURJKSA-N 2 2 316.424 3.010 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865116 1095875412 /nfs/dbraw/zinc/87/54/12/1095875412.db2.gz RDMHRURGVDQYHN-SFHVURJKSA-N 2 2 316.424 3.010 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865116 1095875434 /nfs/dbraw/zinc/87/54/34/1095875434.db2.gz RDMHRURGVDQYHN-SFHVURJKSA-N 2 2 316.424 3.010 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3[nH]nc4cc(F)ccc43)C2)C1 ZINC001276865116 1095875457 /nfs/dbraw/zinc/87/54/57/1095875457.db2.gz RDMHRURGVDQYHN-SFHVURJKSA-N 2 2 316.424 3.010 20 0 DGADLP CC[C@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]1 ZINC001118057698 1095927843 /nfs/dbraw/zinc/92/78/43/1095927843.db2.gz GHNNBRBMYCCVIH-HOTGVXAUSA-N 2 2 301.459 3.430 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118575526 1096040414 /nfs/dbraw/zinc/04/04/14/1096040414.db2.gz FIAPHBAXXRAIHA-GFCCVEGCSA-N 2 2 323.362 3.292 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118575526 1096040426 /nfs/dbraw/zinc/04/04/26/1096040426.db2.gz FIAPHBAXXRAIHA-GFCCVEGCSA-N 2 2 323.362 3.292 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccnc(F)c2)[nH+]1 ZINC001118815358 1096084499 /nfs/dbraw/zinc/08/44/99/1096084499.db2.gz HDLVSRDKKODLDC-OAHLLOKOSA-N 2 2 300.381 3.001 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccnc(F)c2)[nH+]1 ZINC001118815358 1096084507 /nfs/dbraw/zinc/08/45/07/1096084507.db2.gz HDLVSRDKKODLDC-OAHLLOKOSA-N 2 2 300.381 3.001 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541732 1096223956 /nfs/dbraw/zinc/22/39/56/1096223956.db2.gz RYNPXNNNAHRIBF-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541732 1096223963 /nfs/dbraw/zinc/22/39/63/1096223963.db2.gz RYNPXNNNAHRIBF-DLBZAZTESA-N 3 2 312.461 3.255 20 0 DGADLP [NH3+]CCc1cc2ccccc2n1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001171304860 1096224262 /nfs/dbraw/zinc/22/42/62/1096224262.db2.gz OXESQASFSIYUIG-UHFFFAOYSA-N 2 2 316.408 3.377 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+]CC(=O)Nc2ccc(F)cc2)CC1(C)C ZINC001171626872 1096938863 /nfs/dbraw/zinc/93/88/63/1096938863.db2.gz FFATUSZBMCJMSU-UHFFFAOYSA-N 2 2 321.440 3.005 20 0 DGADLP C[NH+]1C(C)(C)CC([NH+]2CCN(Cc3ccco3)CC2)CC1(C)C ZINC001171636931 1096947711 /nfs/dbraw/zinc/94/77/11/1096947711.db2.gz KORIKBHUEVQXER-UHFFFAOYSA-N 2 2 319.493 3.049 20 0 DGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]2c2ncccn2)CC1(C)C ZINC001171644579 1096950089 /nfs/dbraw/zinc/95/00/89/1096950089.db2.gz FVCAVAJFLKCELC-OAHLLOKOSA-N 2 2 302.466 3.265 20 0 DGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]2c2ncccn2)CC1(C)C ZINC001171644579 1096950092 /nfs/dbraw/zinc/95/00/92/1096950092.db2.gz FVCAVAJFLKCELC-OAHLLOKOSA-N 2 2 302.466 3.265 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966131 1097007730 /nfs/dbraw/zinc/00/77/30/1097007730.db2.gz SMGFYQBFEYXJAO-LJQANCHMSA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966131 1097007736 /nfs/dbraw/zinc/00/77/36/1097007736.db2.gz SMGFYQBFEYXJAO-LJQANCHMSA-N 3 2 315.505 3.113 20 0 DGADLP C[N@H+](Cc1cncnc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991546 1097016846 /nfs/dbraw/zinc/01/68/46/1097016846.db2.gz ZWFOHVKJTLMVHH-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP C[N@@H+](Cc1cncnc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171991546 1097016851 /nfs/dbraw/zinc/01/68/51/1097016851.db2.gz ZWFOHVKJTLMVHH-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1cncnc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991546 1097016856 /nfs/dbraw/zinc/01/68/56/1097016856.db2.gz ZWFOHVKJTLMVHH-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP C[NH+](Cc1cncnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171991546 1097016859 /nfs/dbraw/zinc/01/68/59/1097016859.db2.gz ZWFOHVKJTLMVHH-IBGZPJMESA-N 2 2 324.472 3.352 20 0 DGADLP CO[C@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978567 1097024538 /nfs/dbraw/zinc/02/45/38/1097024538.db2.gz ZQCPOKMFRAJCDE-BZSNNMDCSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978567 1097024544 /nfs/dbraw/zinc/02/45/44/1097024544.db2.gz ZQCPOKMFRAJCDE-BZSNNMDCSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978567 1097024549 /nfs/dbraw/zinc/02/45/49/1097024549.db2.gz ZQCPOKMFRAJCDE-BZSNNMDCSA-N 2 2 320.452 3.098 20 0 DGADLP CO[C@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1F ZINC001171978567 1097024554 /nfs/dbraw/zinc/02/45/54/1097024554.db2.gz ZQCPOKMFRAJCDE-BZSNNMDCSA-N 2 2 320.452 3.098 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCCC23COC3)CC[N@@H+]1Cc1ccccc1 ZINC001171985711 1097030320 /nfs/dbraw/zinc/03/03/20/1097030320.db2.gz ZEDILYXIDMGAOM-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCCC23COC3)CC[N@H+]1Cc1ccccc1 ZINC001171985711 1097030326 /nfs/dbraw/zinc/03/03/26/1097030326.db2.gz ZEDILYXIDMGAOM-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001171985711 1097030333 /nfs/dbraw/zinc/03/03/33/1097030333.db2.gz ZEDILYXIDMGAOM-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCCC23COC3)CC[NH+]1Cc1ccccc1 ZINC001171985711 1097030338 /nfs/dbraw/zinc/03/03/38/1097030338.db2.gz ZEDILYXIDMGAOM-GOSISDBHSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069505 1097046296 /nfs/dbraw/zinc/04/62/96/1097046296.db2.gz QNYQCUIMOOWLNR-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172069505 1097046303 /nfs/dbraw/zinc/04/63/03/1097046303.db2.gz QNYQCUIMOOWLNR-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069505 1097046309 /nfs/dbraw/zinc/04/63/09/1097046309.db2.gz QNYQCUIMOOWLNR-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069505 1097046317 /nfs/dbraw/zinc/04/63/17/1097046317.db2.gz QNYQCUIMOOWLNR-RSPOEFSDSA-N 2 2 314.473 3.293 20 0 DGADLP C[C@@H]1C(=O)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129885 1097049585 /nfs/dbraw/zinc/04/95/85/1097049585.db2.gz DTCOBVGBWDXXNM-NCOADZHNSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001172129885 1097049590 /nfs/dbraw/zinc/04/95/90/1097049590.db2.gz DTCOBVGBWDXXNM-NCOADZHNSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC001172129885 1097049594 /nfs/dbraw/zinc/04/95/94/1097049594.db2.gz DTCOBVGBWDXXNM-NCOADZHNSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@@H]1C(=O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C12CCCC2 ZINC001172129885 1097049599 /nfs/dbraw/zinc/04/95/99/1097049599.db2.gz DTCOBVGBWDXXNM-NCOADZHNSA-N 2 2 304.478 3.225 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172129547 1097049690 /nfs/dbraw/zinc/04/96/90/1097049690.db2.gz CJPUKWSOLNLURI-BWTSREIZSA-N 3 2 307.526 3.198 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172129547 1097049696 /nfs/dbraw/zinc/04/96/96/1097049696.db2.gz CJPUKWSOLNLURI-BWTSREIZSA-N 3 2 307.526 3.198 20 0 DGADLP CCCC[NH+]1CCC([NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172129547 1097049703 /nfs/dbraw/zinc/04/97/03/1097049703.db2.gz CJPUKWSOLNLURI-BWTSREIZSA-N 3 2 307.526 3.198 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133371 1097050807 /nfs/dbraw/zinc/05/08/07/1097050807.db2.gz SFYNPYYIYYEBRJ-MUJYYYPQSA-N 2 2 306.400 3.338 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133371 1097050814 /nfs/dbraw/zinc/05/08/14/1097050814.db2.gz SFYNPYYIYYEBRJ-MUJYYYPQSA-N 2 2 306.400 3.338 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133371 1097050820 /nfs/dbraw/zinc/05/08/20/1097050820.db2.gz SFYNPYYIYYEBRJ-MUJYYYPQSA-N 2 2 306.400 3.338 20 0 DGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cc(F)c(F)cc3C1)C2 ZINC001172133371 1097050827 /nfs/dbraw/zinc/05/08/27/1097050827.db2.gz SFYNPYYIYYEBRJ-MUJYYYPQSA-N 2 2 306.400 3.338 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC001172104580 1097052766 /nfs/dbraw/zinc/05/27/66/1097052766.db2.gz DBVZLKHLRZFMMI-VBUUOAMHSA-N 2 2 311.429 3.447 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC001172104580 1097052770 /nfs/dbraw/zinc/05/27/70/1097052770.db2.gz DBVZLKHLRZFMMI-VBUUOAMHSA-N 2 2 311.429 3.447 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123493 1097066200 /nfs/dbraw/zinc/06/62/00/1097066200.db2.gz DKUDRTDYHPQTKY-OMZCGLGVSA-N 3 2 319.537 3.341 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123493 1097066204 /nfs/dbraw/zinc/06/62/04/1097066204.db2.gz DKUDRTDYHPQTKY-OMZCGLGVSA-N 3 2 319.537 3.341 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123493 1097066210 /nfs/dbraw/zinc/06/62/10/1097066210.db2.gz DKUDRTDYHPQTKY-OMZCGLGVSA-N 3 2 319.537 3.341 20 0 DGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC001172279407 1097091222 /nfs/dbraw/zinc/09/12/22/1097091222.db2.gz MSTMADJWWQWUIS-GOSISDBHSA-N 2 2 320.452 3.256 20 0 DGADLP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2F)CC1 ZINC001172250037 1097092733 /nfs/dbraw/zinc/09/27/33/1097092733.db2.gz MNKILMWOJWMXKD-UHFFFAOYSA-N 2 2 308.441 3.151 20 0 DGADLP COCCC[NH+]1CCC([N@H+](C)Cc2ccccc2Cl)CC1 ZINC001172255284 1097093055 /nfs/dbraw/zinc/09/30/55/1097093055.db2.gz MFRUAMRTZGDWFS-UHFFFAOYSA-N 2 2 310.869 3.273 20 0 DGADLP COCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2Cl)CC1 ZINC001172255284 1097093059 /nfs/dbraw/zinc/09/30/59/1097093059.db2.gz MFRUAMRTZGDWFS-UHFFFAOYSA-N 2 2 310.869 3.273 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H]1C ZINC001172377108 1097112919 /nfs/dbraw/zinc/11/29/19/1097112919.db2.gz XCJQLNVOJOBSPZ-RYRKJORJSA-N 2 2 316.493 3.119 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@@H]1C ZINC001172377108 1097112922 /nfs/dbraw/zinc/11/29/22/1097112922.db2.gz XCJQLNVOJOBSPZ-RYRKJORJSA-N 2 2 316.493 3.119 20 0 DGADLP CC[C@H](C)OCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172346461 1097120209 /nfs/dbraw/zinc/12/02/09/1097120209.db2.gz ABGYTYBUTKYUEP-GJZGRUSLSA-N 2 2 323.456 3.373 20 0 DGADLP CCOCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172419934 1097135296 /nfs/dbraw/zinc/13/52/96/1097135296.db2.gz NXBIAODWXLXPCI-MJGOQNOKSA-N 2 2 304.478 3.098 20 0 DGADLP CC(C)COCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172457597 1097161043 /nfs/dbraw/zinc/16/10/43/1097161043.db2.gz BOLMVADPMLSAEU-INIZCTEOSA-N 2 2 305.466 3.091 20 0 DGADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC1C[NH+](C)C1 ZINC001172575814 1097184970 /nfs/dbraw/zinc/18/49/70/1097184970.db2.gz JDOOWPLTXSPWRT-JTQLQIEISA-N 2 2 302.796 3.091 20 0 DGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCOc1cc[nH+]cc1 ZINC001172864727 1097255603 /nfs/dbraw/zinc/25/56/03/1097255603.db2.gz HEXHGXRJAZGTTK-LBPRGKRZSA-N 2 2 308.784 3.474 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173082302 1097326414 /nfs/dbraw/zinc/32/64/14/1097326414.db2.gz LKARCBMVXHTDMY-JSGCOSHPSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173082302 1097326418 /nfs/dbraw/zinc/32/64/18/1097326418.db2.gz LKARCBMVXHTDMY-JSGCOSHPSA-N 2 2 316.367 3.200 20 0 DGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173081410 1097326688 /nfs/dbraw/zinc/32/66/88/1097326688.db2.gz DVQPYWWJZIUYJY-RYUDHWBXSA-N 2 2 304.356 3.056 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001173170697 1097366070 /nfs/dbraw/zinc/36/60/70/1097366070.db2.gz HYHJQTQYWRMLOM-BQFHRHCDSA-N 2 2 320.521 3.290 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206638 1097379550 /nfs/dbraw/zinc/37/95/50/1097379550.db2.gz UCJDJVDLUBKONQ-CLPROHDKSA-N 2 2 314.473 3.403 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206638 1097379555 /nfs/dbraw/zinc/37/95/55/1097379555.db2.gz UCJDJVDLUBKONQ-CLPROHDKSA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206638 1097379560 /nfs/dbraw/zinc/37/95/60/1097379560.db2.gz UCJDJVDLUBKONQ-CLPROHDKSA-N 2 2 314.473 3.403 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(Oc4ccccc4)CC3)C[C@H]21 ZINC001173206638 1097379563 /nfs/dbraw/zinc/37/95/63/1097379563.db2.gz UCJDJVDLUBKONQ-CLPROHDKSA-N 2 2 314.473 3.403 20 0 DGADLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001173292830 1097398862 /nfs/dbraw/zinc/39/88/62/1097398862.db2.gz RNUWCEFSBGWZCS-HNNXBMFYSA-N 2 2 322.518 3.391 20 0 DGADLP COC(=O)CCCC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001173447094 1097441717 /nfs/dbraw/zinc/44/17/17/1097441717.db2.gz BRBBJCXXFSCZSY-CQSZACIVSA-N 2 2 315.417 3.303 20 0 DGADLP Fc1cc2c(cc1F)CC([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001173475951 1097444986 /nfs/dbraw/zinc/44/49/86/1097444986.db2.gz MPMIKKPEFYAVBQ-CQSZACIVSA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc2c(cc1F)CC([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001173475951 1097444990 /nfs/dbraw/zinc/44/49/90/1097444990.db2.gz MPMIKKPEFYAVBQ-CQSZACIVSA-N 2 2 306.400 3.039 20 0 DGADLP COC(=O)CCCC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001173449438 1097450294 /nfs/dbraw/zinc/45/02/94/1097450294.db2.gz UIFBQZNAEDJRFR-CQSZACIVSA-N 2 2 315.417 3.303 20 0 DGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC1C[NH+](C)C1 ZINC001173551173 1097462072 /nfs/dbraw/zinc/46/20/72/1097462072.db2.gz ODFSUWNFHJSBBQ-LLVKDONJSA-N 2 2 301.261 3.466 20 0 DGADLP C[NH+]1C(C)(C)CC(Oc2cc3c(cc2O)C=[NH+]CC3)CC1(C)C ZINC001230918945 1097622736 /nfs/dbraw/zinc/62/27/36/1097622736.db2.gz BMGXWVBJWBDVIP-UHFFFAOYSA-N 2 2 316.445 3.397 20 0 DGADLP CC(C)(C)[NH+]1CCC(Oc2cc3c(cc2O)C=[NH+]CC3)CC1 ZINC001230921142 1097623608 /nfs/dbraw/zinc/62/36/08/1097623608.db2.gz FBEDDUVSHNERCE-UHFFFAOYSA-N 2 2 302.418 3.009 20 0 DGADLP CCOc1ncccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001231767836 1097836801 /nfs/dbraw/zinc/83/68/01/1097836801.db2.gz GADMVGYTQJBWGY-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ncccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001231767836 1097836812 /nfs/dbraw/zinc/83/68/12/1097836812.db2.gz GADMVGYTQJBWGY-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ncccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001231767836 1097836820 /nfs/dbraw/zinc/83/68/20/1097836820.db2.gz GADMVGYTQJBWGY-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ncccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001231767836 1097836828 /nfs/dbraw/zinc/83/68/28/1097836828.db2.gz GADMVGYTQJBWGY-ZWKOTPCHSA-N 2 2 317.477 3.319 20 0 DGADLP C[N@H+](Cc1ccc(OC2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC001231871611 1097872378 /nfs/dbraw/zinc/87/23/78/1097872378.db2.gz OFHWAHDOILVZLV-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP C[N@@H+](Cc1ccc(OC2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC001231871611 1097872382 /nfs/dbraw/zinc/87/23/82/1097872382.db2.gz OFHWAHDOILVZLV-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP Cc1cc(F)ncc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231985042 1097909096 /nfs/dbraw/zinc/90/90/96/1097909096.db2.gz SBMCQGAGJRJKQN-QGZVFWFLSA-N 2 2 305.441 3.370 20 0 DGADLP Cc1cc(F)ncc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001231985042 1097909100 /nfs/dbraw/zinc/90/91/00/1097909100.db2.gz SBMCQGAGJRJKQN-QGZVFWFLSA-N 2 2 305.441 3.370 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232072253 1097931175 /nfs/dbraw/zinc/93/11/75/1097931175.db2.gz JGFHBHGHUSWCGK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232072253 1097931180 /nfs/dbraw/zinc/93/11/80/1097931180.db2.gz JGFHBHGHUSWCGK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001232143673 1097949395 /nfs/dbraw/zinc/94/93/95/1097949395.db2.gz BOSAYDJJBCVTQC-HNNXBMFYSA-N 2 2 318.358 3.457 20 0 DGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001232143673 1097949401 /nfs/dbraw/zinc/94/94/01/1097949401.db2.gz BOSAYDJJBCVTQC-HNNXBMFYSA-N 2 2 318.358 3.457 20 0 DGADLP CC(C)[N@H+](Cc1ccc(O)c2ncccc12)C1CC[NH+](C)CC1 ZINC001232282344 1097991767 /nfs/dbraw/zinc/99/17/67/1097991767.db2.gz RMIJIRALRKYPHG-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP CC(C)[N@@H+](Cc1ccc(O)c2ncccc12)C1CC[NH+](C)CC1 ZINC001232282344 1097991770 /nfs/dbraw/zinc/99/17/70/1097991770.db2.gz RMIJIRALRKYPHG-UHFFFAOYSA-N 2 2 313.445 3.245 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2OC(C)C)CC1 ZINC001232392313 1098023992 /nfs/dbraw/zinc/02/39/92/1098023992.db2.gz KJUNOWANEZYMPB-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2OC(C)C)CC1 ZINC001232392313 1098023998 /nfs/dbraw/zinc/02/39/98/1098023998.db2.gz KJUNOWANEZYMPB-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC001233315587 1098283718 /nfs/dbraw/zinc/28/37/18/1098283718.db2.gz QFQMOVBKSFNUIO-UHFFFAOYSA-N 2 2 305.809 3.375 20 0 DGADLP COc1cc(Nc2ccc(OCC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC001176223941 1098288170 /nfs/dbraw/zinc/28/81/70/1098288170.db2.gz LKRWDQUTLBREIT-UHFFFAOYSA-N 2 2 301.390 3.083 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)c(F)cc1N ZINC001233381549 1098308671 /nfs/dbraw/zinc/30/86/71/1098308671.db2.gz JDJONOCUWVDPMC-GJZGRUSLSA-N 2 2 323.431 3.386 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)c(F)cc1N ZINC001233381549 1098308676 /nfs/dbraw/zinc/30/86/76/1098308676.db2.gz JDJONOCUWVDPMC-GJZGRUSLSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1N ZINC001233381549 1098308681 /nfs/dbraw/zinc/30/86/81/1098308681.db2.gz JDJONOCUWVDPMC-GJZGRUSLSA-N 2 2 323.431 3.386 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1N ZINC001233381549 1098308687 /nfs/dbraw/zinc/30/86/87/1098308687.db2.gz JDJONOCUWVDPMC-GJZGRUSLSA-N 2 2 323.431 3.386 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N)cc2Cl)C1 ZINC001233377651 1098309182 /nfs/dbraw/zinc/30/91/82/1098309182.db2.gz NRNOJFPSWYAXNL-HNNXBMFYSA-N 2 2 317.820 3.279 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N)cc2Cl)C1 ZINC001233377651 1098309190 /nfs/dbraw/zinc/30/91/90/1098309190.db2.gz NRNOJFPSWYAXNL-HNNXBMFYSA-N 2 2 317.820 3.279 20 0 DGADLP CC[N@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001233431839 1098330219 /nfs/dbraw/zinc/33/02/19/1098330219.db2.gz NGNNVYKMKOMCBZ-UHFFFAOYSA-N 2 2 321.465 3.187 20 0 DGADLP CC[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001233431839 1098330226 /nfs/dbraw/zinc/33/02/26/1098330226.db2.gz NGNNVYKMKOMCBZ-UHFFFAOYSA-N 2 2 321.465 3.187 20 0 DGADLP Cc1cc(C)c(Nc2ccc(CC[NH+]3CCOCC3)cc2)c[nH+]1 ZINC001176379110 1098336996 /nfs/dbraw/zinc/33/69/96/1098336996.db2.gz NZMBNTDVTYETBB-UHFFFAOYSA-N 2 2 311.429 3.317 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)OC)CC2 ZINC001277815876 1098449932 /nfs/dbraw/zinc/44/99/32/1098449932.db2.gz IKJGJTCJMOMHTI-QGZVFWFLSA-N 2 2 324.509 3.164 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C1)CC[NH+](CC(=O)OC)CC2 ZINC001277815876 1098449937 /nfs/dbraw/zinc/44/99/37/1098449937.db2.gz IKJGJTCJMOMHTI-QGZVFWFLSA-N 2 2 324.509 3.164 20 0 DGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032953 1098481260 /nfs/dbraw/zinc/48/12/60/1098481260.db2.gz ODYGYBMHESLVBV-ZDUSSCGKSA-N 2 2 321.371 3.358 20 0 DGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032953 1098481262 /nfs/dbraw/zinc/48/12/62/1098481262.db2.gz ODYGYBMHESLVBV-ZDUSSCGKSA-N 2 2 321.371 3.358 20 0 DGADLP CC(C)c1ccccc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001177161631 1098486368 /nfs/dbraw/zinc/48/63/68/1098486368.db2.gz CVGLFOVMECQNFN-IRXDYDNUSA-N 2 2 304.478 3.399 20 0 DGADLP Fc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203353851 1098507104 /nfs/dbraw/zinc/50/71/04/1098507104.db2.gz OORVTXWXYCMVMR-RTBURBONSA-N 2 2 310.416 3.390 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC001177548640 1098554631 /nfs/dbraw/zinc/55/46/31/1098554631.db2.gz MTRLYTBQSHWKGC-UHFFFAOYSA-N 2 2 309.335 3.456 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2[nH]c(C)[nH+]c2C)cc1 ZINC001234662418 1098637227 /nfs/dbraw/zinc/63/72/27/1098637227.db2.gz KQYMIXBEZMZKOQ-KRWDZBQOSA-N 2 2 313.401 3.150 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2[nH]c(C)[nH+]c2C)cc1 ZINC001234662418 1098637233 /nfs/dbraw/zinc/63/72/33/1098637233.db2.gz KQYMIXBEZMZKOQ-KRWDZBQOSA-N 2 2 313.401 3.150 20 0 DGADLP OCCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC001177932585 1098659740 /nfs/dbraw/zinc/65/97/40/1098659740.db2.gz JZDDJLKVNSUBQH-UHFFFAOYSA-N 2 2 319.474 3.356 20 0 DGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC001177972642 1098680020 /nfs/dbraw/zinc/68/00/20/1098680020.db2.gz SCCSBOQQMCCUKW-UHFFFAOYSA-N 2 2 310.869 3.319 20 0 DGADLP CCCCCCc1csc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001234973412 1098730274 /nfs/dbraw/zinc/73/02/74/1098730274.db2.gz HEQGCARCVYLNDR-SJLPKXTDSA-N 2 2 322.518 3.291 20 0 DGADLP CCCCCCc1csc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001234973412 1098730282 /nfs/dbraw/zinc/73/02/82/1098730282.db2.gz HEQGCARCVYLNDR-SJLPKXTDSA-N 2 2 322.518 3.291 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(OCC)c1 ZINC001234992480 1098737367 /nfs/dbraw/zinc/73/73/67/1098737367.db2.gz JPJDSXWKSMLOTP-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(OCC)c1 ZINC001234992480 1098737379 /nfs/dbraw/zinc/73/73/79/1098737379.db2.gz JPJDSXWKSMLOTP-IBGZPJMESA-N 2 2 318.461 3.060 20 0 DGADLP COc1ccccc1Oc1cccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235025492 1098756520 /nfs/dbraw/zinc/75/65/20/1098756520.db2.gz CJTMCHOPFJIADX-UHFFFAOYSA-N 2 2 324.424 3.283 20 0 DGADLP COc1ccccc1Oc1cccc(C[N@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235025492 1098756529 /nfs/dbraw/zinc/75/65/29/1098756529.db2.gz CJTMCHOPFJIADX-UHFFFAOYSA-N 2 2 324.424 3.283 20 0 DGADLP Cc1ccc(C)c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001178232469 1098765358 /nfs/dbraw/zinc/76/53/58/1098765358.db2.gz PZIRGXFXSNRUFK-IBGZPJMESA-N 2 2 324.472 3.451 20 0 DGADLP CCOc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)cn1 ZINC001235039611 1098765689 /nfs/dbraw/zinc/76/56/89/1098765689.db2.gz WEPCRFPYIBAJOI-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP CCOc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)cn1 ZINC001235039611 1098765700 /nfs/dbraw/zinc/76/57/00/1098765700.db2.gz WEPCRFPYIBAJOI-QGZVFWFLSA-N 2 2 323.868 3.242 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c(-c3ccccc3F)c1)C2 ZINC001235047790 1098773316 /nfs/dbraw/zinc/77/33/16/1098773316.db2.gz OEDPIKHPJPEZEQ-DNVCBOLYSA-N 2 2 313.420 3.204 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c(-c3ccccc3F)c1)C2 ZINC001235047790 1098773327 /nfs/dbraw/zinc/77/33/27/1098773327.db2.gz OEDPIKHPJPEZEQ-DNVCBOLYSA-N 2 2 313.420 3.204 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235112877 1098812264 /nfs/dbraw/zinc/81/22/64/1098812264.db2.gz SXCWJBVHZMQDQU-UHFFFAOYSA-N 2 2 311.429 3.400 20 0 DGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113617 1098813781 /nfs/dbraw/zinc/81/37/81/1098813781.db2.gz FHIMFNCBNMPMTR-ZWQJFZRQSA-N 2 2 318.505 3.047 20 0 DGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113617 1098813788 /nfs/dbraw/zinc/81/37/88/1098813788.db2.gz FHIMFNCBNMPMTR-ZWQJFZRQSA-N 2 2 318.505 3.047 20 0 DGADLP CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001178404890 1098822251 /nfs/dbraw/zinc/82/22/51/1098822251.db2.gz YKCQAQUKOQNLGI-HNNXBMFYSA-N 2 2 307.463 3.067 20 0 DGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235155219 1098842633 /nfs/dbraw/zinc/84/26/33/1098842633.db2.gz AONGSOPQQROCSI-FXAWDEMLSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235155219 1098842643 /nfs/dbraw/zinc/84/26/43/1098842643.db2.gz AONGSOPQQROCSI-FXAWDEMLSA-N 2 2 308.425 3.285 20 0 DGADLP CCC(=O)Oc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235167667 1098850483 /nfs/dbraw/zinc/85/04/83/1098850483.db2.gz MOVRLEKUPLCYIZ-IBGZPJMESA-N 2 2 316.445 3.110 20 0 DGADLP CCC(=O)Oc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235167667 1098850497 /nfs/dbraw/zinc/85/04/97/1098850497.db2.gz MOVRLEKUPLCYIZ-IBGZPJMESA-N 2 2 316.445 3.110 20 0 DGADLP CC(C)Oc1ncccc1CC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170747 1098852759 /nfs/dbraw/zinc/85/27/59/1098852759.db2.gz GQYYJGYZAVKBEC-IBGZPJMESA-N 2 2 317.477 3.019 20 0 DGADLP CC(C)Oc1ncccc1CC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170747 1098852767 /nfs/dbraw/zinc/85/27/67/1098852767.db2.gz GQYYJGYZAVKBEC-IBGZPJMESA-N 2 2 317.477 3.019 20 0 DGADLP CC(C)Oc1ncccc1CC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170751 1098853529 /nfs/dbraw/zinc/85/35/29/1098853529.db2.gz GQYYJGYZAVKBEC-LJQANCHMSA-N 2 2 317.477 3.019 20 0 DGADLP CC(C)Oc1ncccc1CC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170751 1098853533 /nfs/dbraw/zinc/85/35/33/1098853533.db2.gz GQYYJGYZAVKBEC-LJQANCHMSA-N 2 2 317.477 3.019 20 0 DGADLP Fc1cc(F)c(CC[N@@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235191429 1098867042 /nfs/dbraw/zinc/86/70/42/1098867042.db2.gz UKVHEHCBBWFWFT-UHFFFAOYSA-N 2 2 312.379 3.255 20 0 DGADLP Fc1cc(F)c(CC[N@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235191429 1098867048 /nfs/dbraw/zinc/86/70/48/1098867048.db2.gz UKVHEHCBBWFWFT-UHFFFAOYSA-N 2 2 312.379 3.255 20 0 DGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)c1C ZINC001235198271 1098872877 /nfs/dbraw/zinc/87/28/77/1098872877.db2.gz PIIRRXMHAVAXIC-RTBURBONSA-N 2 2 321.468 3.407 20 0 DGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)c1C ZINC001235198271 1098872882 /nfs/dbraw/zinc/87/28/82/1098872882.db2.gz PIIRRXMHAVAXIC-RTBURBONSA-N 2 2 321.468 3.407 20 0 DGADLP Fc1ccc2[nH]nc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235237831 1098912151 /nfs/dbraw/zinc/91/21/51/1098912151.db2.gz DEBKJFIJDIKDFF-INIZCTEOSA-N 2 2 316.424 3.056 20 0 DGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)n2)cc1 ZINC001235246193 1098917640 /nfs/dbraw/zinc/91/76/40/1098917640.db2.gz VJBBWYOTLWXBCC-OXQOHEQNSA-N 2 2 323.440 3.070 20 0 DGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)n2)cc1 ZINC001235246193 1098917649 /nfs/dbraw/zinc/91/76/49/1098917649.db2.gz VJBBWYOTLWXBCC-OXQOHEQNSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cncc(-c3ccc(F)cc3)c1)C2 ZINC001235247933 1098920831 /nfs/dbraw/zinc/92/08/31/1098920831.db2.gz IMQZSBVUQNNTCH-IEBWSBKVSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cncc(-c3ccc(F)cc3)c1)C2 ZINC001235247933 1098920837 /nfs/dbraw/zinc/92/08/37/1098920837.db2.gz IMQZSBVUQNNTCH-IEBWSBKVSA-N 2 2 311.404 3.201 20 0 DGADLP Clc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)nc1 ZINC001235255463 1098927851 /nfs/dbraw/zinc/92/78/51/1098927851.db2.gz IVBYKTOCSGWTOM-CRAIPNDOSA-N 2 2 313.832 3.196 20 0 DGADLP Clc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)nc1 ZINC001235255463 1098927856 /nfs/dbraw/zinc/92/78/56/1098927856.db2.gz IVBYKTOCSGWTOM-CRAIPNDOSA-N 2 2 313.832 3.196 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235260130 1098931240 /nfs/dbraw/zinc/93/12/40/1098931240.db2.gz NMKDPIUXRJIXFI-FPOVZHCZSA-N 2 2 322.452 3.368 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235260130 1098931247 /nfs/dbraw/zinc/93/12/47/1098931247.db2.gz NMKDPIUXRJIXFI-FPOVZHCZSA-N 2 2 322.452 3.368 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235260973 1098933739 /nfs/dbraw/zinc/93/37/39/1098933739.db2.gz OMKOGDPBDZHIFV-XLIONFOSSA-N 2 2 308.425 3.156 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235260973 1098933748 /nfs/dbraw/zinc/93/37/48/1098933748.db2.gz OMKOGDPBDZHIFV-XLIONFOSSA-N 2 2 308.425 3.156 20 0 DGADLP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3sc4ccccc4c3Br)C[C@@H]12 ZINC001235283884 1098942849 /nfs/dbraw/zinc/94/28/49/1098942849.db2.gz IDNPHTOYEDSQCL-WDAIWFPHSA-N 2 2 323.259 3.053 20 0 DGADLP [NH3+][C@H]1[C@H]2C[N@H+](Cc3sc4ccccc4c3Br)C[C@@H]12 ZINC001235283884 1098942854 /nfs/dbraw/zinc/94/28/54/1098942854.db2.gz IDNPHTOYEDSQCL-WDAIWFPHSA-N 2 2 323.259 3.053 20 0 DGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403249 1098998825 /nfs/dbraw/zinc/99/88/25/1098998825.db2.gz ZXDBRNPXNHIEPD-IAGOWNOFSA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403249 1098998834 /nfs/dbraw/zinc/99/88/34/1098998834.db2.gz ZXDBRNPXNHIEPD-IAGOWNOFSA-N 2 2 306.356 3.095 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409378 1099007314 /nfs/dbraw/zinc/00/73/14/1099007314.db2.gz WLZAHDQGXREGPK-IAGOWNOFSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001235409378 1099007326 /nfs/dbraw/zinc/00/73/26/1099007326.db2.gz WLZAHDQGXREGPK-IAGOWNOFSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409813 1099007394 /nfs/dbraw/zinc/00/73/94/1099007394.db2.gz WXGXLWCFWCVYOZ-RDJZCZTQSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001235409813 1099007405 /nfs/dbraw/zinc/00/74/05/1099007405.db2.gz WXGXLWCFWCVYOZ-RDJZCZTQSA-N 2 2 321.827 3.345 20 0 DGADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001179067235 1099010222 /nfs/dbraw/zinc/01/02/22/1099010222.db2.gz OHGJIZKZEHOEQE-OAHLLOKOSA-N 2 2 319.276 3.176 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCCCC[NH2+]CC2CC2)c(C)[nH+]1 ZINC001179084636 1099013179 /nfs/dbraw/zinc/01/31/79/1099013179.db2.gz FYPMJOHOOIGSFS-UHFFFAOYSA-N 2 2 317.477 3.297 20 0 DGADLP [NH3+][C@H](C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1)c1ccccc1 ZINC001235593162 1099096391 /nfs/dbraw/zinc/09/63/91/1099096391.db2.gz KSQYIRNZMSBRHI-WCIQWLHISA-N 2 2 314.473 3.214 20 0 DGADLP [NH3+][C@H](C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1)c1ccccc1 ZINC001235593162 1099096403 /nfs/dbraw/zinc/09/64/03/1099096403.db2.gz KSQYIRNZMSBRHI-WCIQWLHISA-N 2 2 314.473 3.214 20 0 DGADLP CC[C@@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001235639464 1099107329 /nfs/dbraw/zinc/10/73/29/1099107329.db2.gz TWMBUFJEFJMLIG-AYBZRNKSSA-N 2 2 301.478 3.058 20 0 DGADLP CC[C@@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001235639464 1099107333 /nfs/dbraw/zinc/10/73/33/1099107333.db2.gz TWMBUFJEFJMLIG-AYBZRNKSSA-N 2 2 301.478 3.058 20 0 DGADLP Cc1ccccc1O[C@H]1CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235675055 1099117889 /nfs/dbraw/zinc/11/78/89/1099117889.db2.gz NQJYMUBRAXDPLW-MOPGFXCFSA-N 2 2 310.441 3.018 20 0 DGADLP Cc1ccccc1O[C@H]1CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235675055 1099117894 /nfs/dbraw/zinc/11/78/94/1099117894.db2.gz NQJYMUBRAXDPLW-MOPGFXCFSA-N 2 2 310.441 3.018 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686771 1099128507 /nfs/dbraw/zinc/12/85/07/1099128507.db2.gz BWBMJLJHIPWJKW-ZFWWWQNUSA-N 2 2 316.367 3.286 20 0 DGADLP CC[C@H]([NH3+])C[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 ZINC001235686771 1099128512 /nfs/dbraw/zinc/12/85/12/1099128512.db2.gz BWBMJLJHIPWJKW-ZFWWWQNUSA-N 2 2 316.367 3.286 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235689875 1099131033 /nfs/dbraw/zinc/13/10/33/1099131033.db2.gz DIKUQTXBRLBSTM-WOJBJXKFSA-N 2 2 324.468 3.408 20 0 DGADLP Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235689875 1099131038 /nfs/dbraw/zinc/13/10/38/1099131038.db2.gz DIKUQTXBRLBSTM-WOJBJXKFSA-N 2 2 324.468 3.408 20 0 DGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001235714138 1099141825 /nfs/dbraw/zinc/14/18/25/1099141825.db2.gz HLSQNNUCQXVFRD-LJQANCHMSA-N 2 2 322.452 3.078 20 0 DGADLP COCCC[N@H+](Cc1cccc2occc21)[C@H]1CCC[NH2+]C1 ZINC001235812404 1099191376 /nfs/dbraw/zinc/19/13/76/1099191376.db2.gz ZXQFLBBFEMGWLE-INIZCTEOSA-N 2 2 302.418 3.023 20 0 DGADLP COCCC[N@@H+](Cc1cccc2occc21)[C@H]1CCC[NH2+]C1 ZINC001235812404 1099191380 /nfs/dbraw/zinc/19/13/80/1099191380.db2.gz ZXQFLBBFEMGWLE-INIZCTEOSA-N 2 2 302.418 3.023 20 0 DGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235840758 1099204824 /nfs/dbraw/zinc/20/48/24/1099204824.db2.gz AAIRWDHQBZPHDH-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235840758 1099204832 /nfs/dbraw/zinc/20/48/32/1099204832.db2.gz AAIRWDHQBZPHDH-JTQLQIEISA-N 2 2 306.759 3.400 20 0 DGADLP Brc1ccc([C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881425 1099232138 /nfs/dbraw/zinc/23/21/38/1099232138.db2.gz FQACOAXDNHMCHC-GOEBONIOSA-N 2 2 323.278 3.381 20 0 DGADLP Brc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235881425 1099232143 /nfs/dbraw/zinc/23/21/43/1099232143.db2.gz FQACOAXDNHMCHC-GOEBONIOSA-N 2 2 323.278 3.381 20 0 DGADLP Nc1[nH]c(C[NH+]2CCC(Cc3c(F)cccc3Cl)CC2)c[nH+]1 ZINC001235896887 1099239409 /nfs/dbraw/zinc/23/94/09/1099239409.db2.gz HKCJNXMHPSCFCM-UHFFFAOYSA-N 2 2 322.815 3.239 20 0 DGADLP Fc1cccc(Cl)c1CC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC001235897263 1099240766 /nfs/dbraw/zinc/24/07/66/1099240766.db2.gz YNZQUUTXJMTJNX-CQSZACIVSA-N 2 2 310.844 3.486 20 0 DGADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)cc1Br ZINC001235958610 1099291347 /nfs/dbraw/zinc/29/13/47/1099291347.db2.gz MVNQZWFQGJYRNG-YWVIFJGQSA-N 2 2 323.278 3.235 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)cc1Br ZINC001235958610 1099291351 /nfs/dbraw/zinc/29/13/51/1099291351.db2.gz MVNQZWFQGJYRNG-YWVIFJGQSA-N 2 2 323.278 3.235 20 0 DGADLP Cc1cccc(Br)c1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235960494 1099291467 /nfs/dbraw/zinc/29/14/67/1099291467.db2.gz XRYOXZWDDRRMCB-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235960494 1099291473 /nfs/dbraw/zinc/29/14/73/1099291473.db2.gz XRYOXZWDDRRMCB-CYBMUJFWSA-N 2 2 311.267 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979206 1099306135 /nfs/dbraw/zinc/30/61/35/1099306135.db2.gz KRJOJLGLUDRARQ-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001235979206 1099306146 /nfs/dbraw/zinc/30/61/46/1099306146.db2.gz KRJOJLGLUDRARQ-AZUAARDMSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990339 1099315881 /nfs/dbraw/zinc/31/58/81/1099315881.db2.gz GIGUWSZRLCZGEC-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccc(Cl)cn3)c1)C2 ZINC001235990339 1099315890 /nfs/dbraw/zinc/31/58/90/1099315890.db2.gz GIGUWSZRLCZGEC-MAUKXSAKSA-N 2 2 313.832 3.325 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)s2)cc1 ZINC001235997837 1099320494 /nfs/dbraw/zinc/32/04/94/1099320494.db2.gz WZQHKHUDTIANPD-KSSFIOAISA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)s2)cc1 ZINC001235997837 1099320507 /nfs/dbraw/zinc/32/05/07/1099320507.db2.gz WZQHKHUDTIANPD-KSSFIOAISA-N 2 2 314.454 3.347 20 0 DGADLP CC[N@H+](Cc1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236011275 1099334559 /nfs/dbraw/zinc/33/45/59/1099334559.db2.gz WKLFLCVWBVRBEP-QGZVFWFLSA-N 2 2 311.429 3.448 20 0 DGADLP CC[N@@H+](Cc1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236011275 1099334570 /nfs/dbraw/zinc/33/45/70/1099334570.db2.gz WKLFLCVWBVRBEP-QGZVFWFLSA-N 2 2 311.429 3.448 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc3cc(Br)ccc3c1)C2 ZINC001236021947 1099339472 /nfs/dbraw/zinc/33/94/72/1099339472.db2.gz BQJFHGDBFVJSBA-GDBMZVCRSA-N 2 2 317.230 3.135 20 0 DGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc3cc(Br)ccc3c1)C2 ZINC001236021947 1099339484 /nfs/dbraw/zinc/33/94/84/1099339484.db2.gz BQJFHGDBFVJSBA-GDBMZVCRSA-N 2 2 317.230 3.135 20 0 DGADLP c1ccc(COCCCCC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059530 1099359502 /nfs/dbraw/zinc/35/95/02/1099359502.db2.gz JHSDYRKTVZFEEV-OALUTQOASA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(COCCCCC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059530 1099359510 /nfs/dbraw/zinc/35/95/10/1099359510.db2.gz JHSDYRKTVZFEEV-OALUTQOASA-N 2 2 302.462 3.057 20 0 DGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236068935 1099368173 /nfs/dbraw/zinc/36/81/73/1099368173.db2.gz ZBKSDHQPMHSWGL-LLVKDONJSA-N 2 2 322.758 3.280 20 0 DGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001236068935 1099368186 /nfs/dbraw/zinc/36/81/86/1099368186.db2.gz ZBKSDHQPMHSWGL-LLVKDONJSA-N 2 2 322.758 3.280 20 0 DGADLP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc(F)cc1F ZINC001236071308 1099370751 /nfs/dbraw/zinc/37/07/51/1099370751.db2.gz ITHPQLOHXIQOOQ-UHFFFAOYSA-N 2 2 308.397 3.304 20 0 DGADLP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc(F)cc1F ZINC001236071308 1099370763 /nfs/dbraw/zinc/37/07/63/1099370763.db2.gz ITHPQLOHXIQOOQ-UHFFFAOYSA-N 2 2 308.397 3.304 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccn2-c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001236095769 1099386440 /nfs/dbraw/zinc/38/64/40/1099386440.db2.gz YOTONXXBTOKIRM-AWEZNQCLSA-N 2 2 303.837 3.315 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001236095769 1099386450 /nfs/dbraw/zinc/38/64/50/1099386450.db2.gz YOTONXXBTOKIRM-AWEZNQCLSA-N 2 2 303.837 3.315 20 0 DGADLP COc1cc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc2c1NC(C)(C)C=C2 ZINC001236100375 1099387732 /nfs/dbraw/zinc/38/77/32/1099387732.db2.gz GMRMCFKLTWZMHC-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP COc1cc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc2c1NC(C)(C)C=C2 ZINC001236100375 1099387745 /nfs/dbraw/zinc/38/77/45/1099387745.db2.gz GMRMCFKLTWZMHC-AWEZNQCLSA-N 2 2 315.461 3.096 20 0 DGADLP Cc1c(Br)ccc(C[NH+]2CCC[NH2+]CCC2)c1C ZINC001236239150 1099492772 /nfs/dbraw/zinc/49/27/72/1099492772.db2.gz DXTXGYSNYHHPLV-UHFFFAOYSA-N 2 2 311.267 3.251 20 0 DGADLP COc1ccc2sc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)cc2c1 ZINC001236204532 1099459812 /nfs/dbraw/zinc/45/98/12/1099459812.db2.gz BATANULRAYCNNU-QGZVFWFLSA-N 2 2 304.459 3.484 20 0 DGADLP COc1ccc2sc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)cc2c1 ZINC001236204532 1099459816 /nfs/dbraw/zinc/45/98/16/1099459816.db2.gz BATANULRAYCNNU-QGZVFWFLSA-N 2 2 304.459 3.484 20 0 DGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1Cl)[C@@]1(C)CCC[NH2+]C1 ZINC001236206680 1099462590 /nfs/dbraw/zinc/46/25/90/1099462590.db2.gz KVPHGLZIIPTVNX-KRWDZBQOSA-N 2 2 318.852 3.100 20 0 DGADLP Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC001236209347 1099466281 /nfs/dbraw/zinc/46/62/81/1099466281.db2.gz WLSFFQGZMWMUJO-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC001236209347 1099466288 /nfs/dbraw/zinc/46/62/88/1099466288.db2.gz WLSFFQGZMWMUJO-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216112 1099472551 /nfs/dbraw/zinc/47/25/51/1099472551.db2.gz ZPYNKNRSYRQDMR-KBPBESRZSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216112 1099472557 /nfs/dbraw/zinc/47/25/57/1099472557.db2.gz ZPYNKNRSYRQDMR-KBPBESRZSA-N 2 2 302.340 3.287 20 0 DGADLP C[N@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217957 1099473848 /nfs/dbraw/zinc/47/38/48/1099473848.db2.gz QXLXDGNYKUKDAV-KBPBESRZSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1cc(F)cc(OC(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217957 1099473853 /nfs/dbraw/zinc/47/38/53/1099473853.db2.gz QXLXDGNYKUKDAV-KBPBESRZSA-N 2 2 320.330 3.426 20 0 DGADLP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1OCC ZINC001236219830 1099477358 /nfs/dbraw/zinc/47/73/58/1099477358.db2.gz XXIUMLMDCPGRKZ-HOTGVXAUSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1OCC ZINC001236219830 1099477362 /nfs/dbraw/zinc/47/73/62/1099477362.db2.gz XXIUMLMDCPGRKZ-HOTGVXAUSA-N 2 2 306.450 3.186 20 0 DGADLP Cc1cccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1Br ZINC001236225740 1099483526 /nfs/dbraw/zinc/48/35/26/1099483526.db2.gz DYGZRYYKKSIOHI-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1Br ZINC001236225740 1099483532 /nfs/dbraw/zinc/48/35/32/1099483532.db2.gz DYGZRYYKKSIOHI-UHFFFAOYSA-N 2 2 311.267 3.331 20 0 DGADLP COc1cccc2c1CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001236238466 1099492002 /nfs/dbraw/zinc/49/20/02/1099492002.db2.gz APRYXVUCPAOHGF-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP COc1cccc2c1CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001236238466 1099492005 /nfs/dbraw/zinc/49/20/05/1099492005.db2.gz APRYXVUCPAOHGF-UHFFFAOYSA-N 2 2 302.462 3.366 20 0 DGADLP Nc1nccc(Cl)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373900 1099560948 /nfs/dbraw/zinc/56/09/48/1099560948.db2.gz NEAWUAYNICSTEP-ZDUSSCGKSA-N 2 2 322.884 3.061 20 0 DGADLP Nc1nccc(Cl)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373900 1099560957 /nfs/dbraw/zinc/56/09/57/1099560957.db2.gz NEAWUAYNICSTEP-ZDUSSCGKSA-N 2 2 322.884 3.061 20 0 DGADLP Nc1ccccc1C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236407558 1099581047 /nfs/dbraw/zinc/58/10/47/1099581047.db2.gz GZYYZMCWURIYLN-UHFFFAOYSA-N 2 2 313.420 3.162 20 0 DGADLP Nc1ccccc1C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236407558 1099581050 /nfs/dbraw/zinc/58/10/50/1099581050.db2.gz GZYYZMCWURIYLN-UHFFFAOYSA-N 2 2 313.420 3.162 20 0 DGADLP C[N@H+](Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417328 1099591695 /nfs/dbraw/zinc/59/16/95/1099591695.db2.gz XGMZRRDZJRFKGH-MNZLEMJZSA-N 2 2 312.388 3.268 20 0 DGADLP C[N@@H+](Cc1ccc(F)c(Oc2ccccc2)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417328 1099591706 /nfs/dbraw/zinc/59/17/06/1099591706.db2.gz XGMZRRDZJRFKGH-MNZLEMJZSA-N 2 2 312.388 3.268 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001236421661 1099597306 /nfs/dbraw/zinc/59/73/06/1099597306.db2.gz RSCYMOWDCRSXPF-CJNGLKHVSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)c2c(OC)cccc12 ZINC001236421661 1099597314 /nfs/dbraw/zinc/59/73/14/1099597314.db2.gz RSCYMOWDCRSXPF-CJNGLKHVSA-N 2 2 314.429 3.169 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001236432573 1099607553 /nfs/dbraw/zinc/60/75/53/1099607553.db2.gz AQCZJQDISGBUFM-UKRRQHHQSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001236432573 1099607555 /nfs/dbraw/zinc/60/75/55/1099607555.db2.gz AQCZJQDISGBUFM-UKRRQHHQSA-N 2 2 314.351 3.474 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236436493 1099612036 /nfs/dbraw/zinc/61/20/36/1099612036.db2.gz YBFARASSQWIKMU-IBGZPJMESA-N 2 2 314.404 3.138 20 0 DGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001236436493 1099612043 /nfs/dbraw/zinc/61/20/43/1099612043.db2.gz YBFARASSQWIKMU-IBGZPJMESA-N 2 2 314.404 3.138 20 0 DGADLP COc1ccc(C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000075675358 1099616466 /nfs/dbraw/zinc/61/64/66/1099616466.db2.gz WUDNXORDWMBQAD-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236528974 1099663104 /nfs/dbraw/zinc/66/31/04/1099663104.db2.gz LTFOIYSIJIMVCM-GOSISDBHSA-N 2 2 320.477 3.331 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236528974 1099663111 /nfs/dbraw/zinc/66/31/11/1099663111.db2.gz LTFOIYSIJIMVCM-GOSISDBHSA-N 2 2 320.477 3.331 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1C ZINC001236607545 1099701721 /nfs/dbraw/zinc/70/17/21/1099701721.db2.gz IUEIYHNJNGBMRM-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1C ZINC001236607545 1099701729 /nfs/dbraw/zinc/70/17/29/1099701729.db2.gz IUEIYHNJNGBMRM-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[N@H+](Cc1cc(F)cc2c1OCCC2)C1CC[NH+](C)CC1 ZINC001236621594 1099710011 /nfs/dbraw/zinc/71/00/11/1099710011.db2.gz FXYZHZOBSSRXMO-UHFFFAOYSA-N 2 2 306.425 3.067 20 0 DGADLP CC[N@@H+](Cc1cc(F)cc2c1OCCC2)C1CC[NH+](C)CC1 ZINC001236621594 1099710017 /nfs/dbraw/zinc/71/00/17/1099710017.db2.gz FXYZHZOBSSRXMO-UHFFFAOYSA-N 2 2 306.425 3.067 20 0 DGADLP COc1ccc(Cl)c(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634492 1099715471 /nfs/dbraw/zinc/71/54/71/1099715471.db2.gz UMTSURIKRVWCBD-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236634492 1099715473 /nfs/dbraw/zinc/71/54/73/1099715473.db2.gz UMTSURIKRVWCBD-UHFFFAOYSA-N 2 2 308.853 3.455 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1C[NH2+]CCO1 ZINC001236661755 1099730883 /nfs/dbraw/zinc/73/08/83/1099730883.db2.gz GEBRQCJIPQXHCE-RBUKOAKNSA-N 2 2 304.478 3.098 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1C[NH2+]CCO1 ZINC001236661755 1099730890 /nfs/dbraw/zinc/73/08/90/1099730890.db2.gz GEBRQCJIPQXHCE-RBUKOAKNSA-N 2 2 304.478 3.098 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236832597 1099817666 /nfs/dbraw/zinc/81/76/66/1099817666.db2.gz VVNREOPKUVYWGJ-ZSGNIPIJSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236832597 1099817673 /nfs/dbraw/zinc/81/76/73/1099817673.db2.gz VVNREOPKUVYWGJ-ZSGNIPIJSA-N 2 2 315.244 3.171 20 0 DGADLP C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902886 1099866037 /nfs/dbraw/zinc/86/60/37/1099866037.db2.gz JPSSRXXTZLBQJG-ZFWWWQNUSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902886 1099866042 /nfs/dbraw/zinc/86/60/42/1099866042.db2.gz JPSSRXXTZLBQJG-ZFWWWQNUSA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236909908 1099871663 /nfs/dbraw/zinc/87/16/63/1099871663.db2.gz ZEFPELXVBUTBRF-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@@]3(CCCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236909908 1099871670 /nfs/dbraw/zinc/87/16/70/1099871670.db2.gz ZEFPELXVBUTBRF-KRWDZBQOSA-N 2 2 317.820 3.281 20 0 DGADLP CC(C)[N@H+](CCCO)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913938 1099872739 /nfs/dbraw/zinc/87/27/39/1099872739.db2.gz IWENSEJOECZDJA-UHFFFAOYSA-N 2 2 307.825 3.119 20 0 DGADLP CC(C)[N@@H+](CCCO)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236913938 1099872748 /nfs/dbraw/zinc/87/27/48/1099872748.db2.gz IWENSEJOECZDJA-UHFFFAOYSA-N 2 2 307.825 3.119 20 0 DGADLP CCC1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236913403 1099873129 /nfs/dbraw/zinc/87/31/29/1099873129.db2.gz DVRSUFYPAVAOQJ-UHFFFAOYSA-N 2 2 319.836 3.263 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001236913266 1099873331 /nfs/dbraw/zinc/87/33/31/1099873331.db2.gz JTYUNYSVHNEXMP-KRWDZBQOSA-N 2 2 317.820 3.138 20 0 DGADLP C[C@@]1(O)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913248 1099874793 /nfs/dbraw/zinc/87/47/93/1099874793.db2.gz JODXQQNFAVCSKT-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913248 1099874804 /nfs/dbraw/zinc/87/48/04/1099874804.db2.gz JODXQQNFAVCSKT-QGZVFWFLSA-N 2 2 319.836 3.263 20 0 DGADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C[C@H](C)[N@@H+]1C ZINC001236914541 1099875020 /nfs/dbraw/zinc/87/50/20/1099875020.db2.gz QXYLWVFBOXFWJV-OKILXGFUSA-N 2 2 318.852 3.050 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916650 1099875910 /nfs/dbraw/zinc/87/59/10/1099875910.db2.gz LWWXXJYZWNNYLL-UONOGXRCSA-N 2 2 318.852 3.050 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236916650 1099875916 /nfs/dbraw/zinc/87/59/16/1099875916.db2.gz LWWXXJYZWNNYLL-UONOGXRCSA-N 2 2 318.852 3.050 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC(C)(C)C)C[C@@H]2C1 ZINC001237027302 1099932623 /nfs/dbraw/zinc/93/26/23/1099932623.db2.gz HMORHSADBGLDQS-CALCHBBNSA-N 2 2 302.462 3.247 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC(C)(C)C)C[C@@H]2C1 ZINC001237027302 1099932635 /nfs/dbraw/zinc/93/26/35/1099932635.db2.gz HMORHSADBGLDQS-CALCHBBNSA-N 2 2 302.462 3.247 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3OC(C)(C)C)C[C@@H]2C1 ZINC001237027302 1099932645 /nfs/dbraw/zinc/93/26/45/1099932645.db2.gz HMORHSADBGLDQS-CALCHBBNSA-N 2 2 302.462 3.247 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3OC(C)(C)C)C[C@@H]2C1 ZINC001237027302 1099932657 /nfs/dbraw/zinc/93/26/57/1099932657.db2.gz HMORHSADBGLDQS-CALCHBBNSA-N 2 2 302.462 3.247 20 0 DGADLP COc1cc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237144720 1099995307 /nfs/dbraw/zinc/99/53/07/1099995307.db2.gz LEJCHMBTCZAWMD-SFHVURJKSA-N 2 2 302.462 3.419 20 0 DGADLP COc1cc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237144720 1099995320 /nfs/dbraw/zinc/99/53/20/1099995320.db2.gz LEJCHMBTCZAWMD-SFHVURJKSA-N 2 2 302.462 3.419 20 0 DGADLP Fc1cccc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001237155908 1100005426 /nfs/dbraw/zinc/00/54/26/1100005426.db2.gz UULDAIWBJQJTOQ-OAHLLOKOSA-N 2 2 301.409 3.414 20 0 DGADLP Fc1cccc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001237155908 1100005432 /nfs/dbraw/zinc/00/54/32/1100005432.db2.gz UULDAIWBJQJTOQ-OAHLLOKOSA-N 2 2 301.409 3.414 20 0 DGADLP Oc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001237276450 1100056518 /nfs/dbraw/zinc/05/65/18/1100056518.db2.gz CZDXKOQUMIOLSD-QGZVFWFLSA-N 2 2 306.425 3.372 20 0 DGADLP Oc1cc(F)cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001237276450 1100056529 /nfs/dbraw/zinc/05/65/29/1100056529.db2.gz CZDXKOQUMIOLSD-QGZVFWFLSA-N 2 2 306.425 3.372 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382700 1100100911 /nfs/dbraw/zinc/10/09/11/1100100911.db2.gz MSSPAHMBTIFSOB-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP FC(F)(F)c1ccccc1CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382700 1100100913 /nfs/dbraw/zinc/10/09/13/1100100913.db2.gz MSSPAHMBTIFSOB-ZBFHGGJFSA-N 2 2 312.379 3.322 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237389920 1100104623 /nfs/dbraw/zinc/10/46/23/1100104623.db2.gz HMFLOZACUVCNAA-RDJZCZTQSA-N 2 2 313.470 3.384 20 0 DGADLP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237389920 1100104627 /nfs/dbraw/zinc/10/46/27/1100104627.db2.gz HMFLOZACUVCNAA-RDJZCZTQSA-N 2 2 313.470 3.384 20 0 DGADLP Clc1ccc2c(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237404208 1100112655 /nfs/dbraw/zinc/11/26/55/1100112655.db2.gz NJBJVSMBDIQJSU-MLGOLLRUSA-N 2 2 303.837 3.395 20 0 DGADLP Clc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237404208 1100112657 /nfs/dbraw/zinc/11/26/57/1100112657.db2.gz NJBJVSMBDIQJSU-MLGOLLRUSA-N 2 2 303.837 3.395 20 0 DGADLP CC(C)Oc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1F ZINC001237418298 1100121716 /nfs/dbraw/zinc/12/17/16/1100121716.db2.gz XTPGOSXZJJWHGS-RDJZCZTQSA-N 2 2 306.425 3.187 20 0 DGADLP CC(C)Oc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1F ZINC001237418298 1100121720 /nfs/dbraw/zinc/12/17/20/1100121720.db2.gz XTPGOSXZJJWHGS-RDJZCZTQSA-N 2 2 306.425 3.187 20 0 DGADLP COc1c(C)cccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001237505488 1100151085 /nfs/dbraw/zinc/15/10/85/1100151085.db2.gz GHXYGWPVDOLSAS-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1c(C)cccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001237505488 1100151090 /nfs/dbraw/zinc/15/10/90/1100151090.db2.gz GHXYGWPVDOLSAS-QGZVFWFLSA-N 2 2 312.413 3.360 20 0 DGADLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)c1C ZINC001203723005 1100278682 /nfs/dbraw/zinc/27/86/82/1100278682.db2.gz AGEDDVUEQWXSDO-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)c1C ZINC001203723005 1100278693 /nfs/dbraw/zinc/27/86/93/1100278693.db2.gz AGEDDVUEQWXSDO-UHFFFAOYSA-N 2 2 302.462 3.371 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCOCC34CCC4)cc21 ZINC001237885099 1100283172 /nfs/dbraw/zinc/28/31/72/1100283172.db2.gz FRPCEESVWGRLLW-UHFFFAOYSA-N 2 2 312.457 3.443 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOCC34CCC4)cc21 ZINC001237885099 1100283177 /nfs/dbraw/zinc/28/31/77/1100283177.db2.gz FRPCEESVWGRLLW-UHFFFAOYSA-N 2 2 312.457 3.443 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H](C)OC[C@H]3C)cc21 ZINC001237888908 1100284634 /nfs/dbraw/zinc/28/46/34/1100284634.db2.gz HDFNDXZHYKVBBY-HUUCEWRRSA-N 2 2 300.446 3.297 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H](C)OC[C@H]3C)cc21 ZINC001237888908 1100284640 /nfs/dbraw/zinc/28/46/40/1100284640.db2.gz HDFNDXZHYKVBBY-HUUCEWRRSA-N 2 2 300.446 3.297 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001238049675 1100342650 /nfs/dbraw/zinc/34/26/50/1100342650.db2.gz AQDKICRASNVCKA-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001238049675 1100342659 /nfs/dbraw/zinc/34/26/59/1100342659.db2.gz AQDKICRASNVCKA-UHFFFAOYSA-N 2 2 316.367 3.240 20 0 DGADLP C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc2c[nH+]cn21 ZINC001238105100 1100362317 /nfs/dbraw/zinc/36/23/17/1100362317.db2.gz CMEDKGMLGFJILT-UHFFFAOYSA-N 2 2 317.396 3.152 20 0 DGADLP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc2c[nH+]cn21 ZINC001238105100 1100362324 /nfs/dbraw/zinc/36/23/24/1100362324.db2.gz CMEDKGMLGFJILT-UHFFFAOYSA-N 2 2 317.396 3.152 20 0 DGADLP Cc1cccc(OC2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)n1 ZINC001238112111 1100365764 /nfs/dbraw/zinc/36/57/64/1100365764.db2.gz BGNVZBPYETZFOW-UHFFFAOYSA-N 2 2 322.412 3.081 20 0 DGADLP Fc1cccc(O[C@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238115136 1100366827 /nfs/dbraw/zinc/36/68/27/1100366827.db2.gz FIDYBTJFVLZAPR-SFHVURJKSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1cccc(O[C@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238115136 1100366838 /nfs/dbraw/zinc/36/68/38/1100366838.db2.gz FIDYBTJFVLZAPR-SFHVURJKSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1cccc(O[C@@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238115134 1100367778 /nfs/dbraw/zinc/36/77/78/1100367778.db2.gz FIDYBTJFVLZAPR-GOSISDBHSA-N 2 2 311.360 3.127 20 0 DGADLP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)c1 ZINC001238115134 1100367785 /nfs/dbraw/zinc/36/77/85/1100367785.db2.gz FIDYBTJFVLZAPR-GOSISDBHSA-N 2 2 311.360 3.127 20 0 DGADLP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449123 1100460125 /nfs/dbraw/zinc/46/01/25/1100460125.db2.gz FKOFDHAPJNYBMK-KRWDZBQOSA-N 2 2 317.477 3.343 20 0 DGADLP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191449123 1100460129 /nfs/dbraw/zinc/46/01/29/1100460129.db2.gz FKOFDHAPJNYBMK-KRWDZBQOSA-N 2 2 317.477 3.343 20 0 DGADLP COCC[N@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238500606 1100461180 /nfs/dbraw/zinc/46/11/80/1100461180.db2.gz GQXKWSVDCRGOFM-UHFFFAOYSA-N 2 2 320.452 3.246 20 0 DGADLP COCC[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238500606 1100461183 /nfs/dbraw/zinc/46/11/83/1100461183.db2.gz GQXKWSVDCRGOFM-UHFFFAOYSA-N 2 2 320.452 3.246 20 0 DGADLP Cc1ccc(Cl)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001238555909 1100470013 /nfs/dbraw/zinc/47/00/13/1100470013.db2.gz DDKFXKBFXMJBTG-UHFFFAOYSA-N 2 2 321.852 3.278 20 0 DGADLP CSc1ncc(C)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001238719213 1100511172 /nfs/dbraw/zinc/51/11/72/1100511172.db2.gz WOEJBBLUDZXHKO-UHFFFAOYSA-N 2 2 302.447 3.146 20 0 DGADLP c1cn2cc(-c3ccc([C@]45CC[NH2+][C@@H]4COCC5)cc3)ccc2[nH+]1 ZINC001240217646 1100898459 /nfs/dbraw/zinc/89/84/59/1100898459.db2.gz KYBSDQVAVCBRMF-UYAOXDASSA-N 2 2 319.408 3.021 20 0 DGADLP CC(C)CCn1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001240421111 1100989795 /nfs/dbraw/zinc/98/97/95/1100989795.db2.gz SMSVIKGXXNAEJB-GOSISDBHSA-N 2 2 312.461 3.129 20 0 DGADLP CC(C)CCn1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001240421111 1100989805 /nfs/dbraw/zinc/98/98/05/1100989805.db2.gz SMSVIKGXXNAEJB-GOSISDBHSA-N 2 2 312.461 3.129 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(N4CCCC4)c3)cc2)C1 ZINC001240536548 1101039033 /nfs/dbraw/zinc/03/90/33/1101039033.db2.gz FCAWPFWTKUNCFY-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(N4CCCC4)c3)cc2)C1 ZINC001240536548 1101039045 /nfs/dbraw/zinc/03/90/45/1101039045.db2.gz FCAWPFWTKUNCFY-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP COC(=[NH2+])c1cccc(-c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001240854005 1101158434 /nfs/dbraw/zinc/15/84/34/1101158434.db2.gz DBZHTQJRGRKGOM-UHFFFAOYSA-N 2 2 309.413 3.077 20 0 DGADLP C[N@@H+]1CCc2oc(-c3ccc(C=C4CC[NH2+]CC4)cc3)nc2C1 ZINC001240879679 1101167985 /nfs/dbraw/zinc/16/79/85/1101167985.db2.gz WXLUHUHPSKMQPU-UHFFFAOYSA-N 2 2 309.413 3.096 20 0 DGADLP C[N@H+]1CCc2oc(-c3ccc(C=C4CC[NH2+]CC4)cc3)nc2C1 ZINC001240879679 1101167990 /nfs/dbraw/zinc/16/79/90/1101167990.db2.gz WXLUHUHPSKMQPU-UHFFFAOYSA-N 2 2 309.413 3.096 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4ncccc43)c2)C1 ZINC001240939538 1101187980 /nfs/dbraw/zinc/18/79/80/1101187980.db2.gz YGIUWNUKSGIRBG-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4ncccc43)c2)C1 ZINC001240939538 1101187982 /nfs/dbraw/zinc/18/79/82/1101187982.db2.gz YGIUWNUKSGIRBG-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP CCOc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241027811 1101226361 /nfs/dbraw/zinc/22/63/61/1101226361.db2.gz KCAILPMSXUPOBZ-SFHVURJKSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241027811 1101226364 /nfs/dbraw/zinc/22/63/64/1101226364.db2.gz KCAILPMSXUPOBZ-SFHVURJKSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241030721 1101228379 /nfs/dbraw/zinc/22/83/79/1101228379.db2.gz ZNIQBKNSEJTSKD-KRWDZBQOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241030721 1101228382 /nfs/dbraw/zinc/22/83/82/1101228382.db2.gz ZNIQBKNSEJTSKD-KRWDZBQOSA-N 2 2 300.377 3.034 20 0 DGADLP CCOc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001241070018 1101241721 /nfs/dbraw/zinc/24/17/21/1101241721.db2.gz OSYLRJKJVIEQFN-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001241070018 1101241724 /nfs/dbraw/zinc/24/17/24/1101241724.db2.gz OSYLRJKJVIEQFN-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241320842 1101375278 /nfs/dbraw/zinc/37/52/78/1101375278.db2.gz MVNOFIYOETXWFR-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241320842 1101375293 /nfs/dbraw/zinc/37/52/93/1101375293.db2.gz MVNOFIYOETXWFR-KRWDZBQOSA-N 2 2 314.404 3.424 20 0 DGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001241419485 1101446435 /nfs/dbraw/zinc/44/64/35/1101446435.db2.gz GEXFQLDGPWVYAB-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001241419485 1101446439 /nfs/dbraw/zinc/44/64/39/1101446439.db2.gz GEXFQLDGPWVYAB-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](CCCSCc1ccccc1)CC2 ZINC001197105228 1101479858 /nfs/dbraw/zinc/47/98/58/1101479858.db2.gz QSVBWALCLVJQNK-UHFFFAOYSA-N 2 2 313.470 3.345 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](CCCSCc1ccccc1)CC2 ZINC001197105228 1101479862 /nfs/dbraw/zinc/47/98/62/1101479862.db2.gz QSVBWALCLVJQNK-UHFFFAOYSA-N 2 2 313.470 3.345 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001197359464 1101541348 /nfs/dbraw/zinc/54/13/48/1101541348.db2.gz OLRHZWAWHFMYDZ-QGZVFWFLSA-N 2 2 323.525 3.009 20 0 DGADLP Cc1n[nH]c2cc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)ccc12 ZINC001241641701 1101602568 /nfs/dbraw/zinc/60/25/68/1101602568.db2.gz ZKNKNRGTDUUJPI-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2cc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)ccc12 ZINC001241641701 1101602574 /nfs/dbraw/zinc/60/25/74/1101602574.db2.gz ZKNKNRGTDUUJPI-QGZVFWFLSA-N 2 2 306.413 3.071 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3cc(C)cn4cc[nH+]c34)cc2)CC1 ZINC001241743296 1101673670 /nfs/dbraw/zinc/67/36/70/1101673670.db2.gz NZOQDUNFFZTEFS-UHFFFAOYSA-N 2 2 320.440 3.452 20 0 DGADLP Cc1cc(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC001241782758 1101702481 /nfs/dbraw/zinc/70/24/81/1101702481.db2.gz SESWNRPEKGOPKU-UHFFFAOYSA-N 2 2 311.429 3.047 20 0 DGADLP Cn1ccc2c1cccc2-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241823876 1101729775 /nfs/dbraw/zinc/72/97/75/1101729775.db2.gz FJYZCUHIDXNRIN-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2c1cccc2-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241823876 1101729788 /nfs/dbraw/zinc/72/97/88/1101729788.db2.gz FJYZCUHIDXNRIN-QGZVFWFLSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4scnc4c3)cc2)C1 ZINC001241869849 1101757037 /nfs/dbraw/zinc/75/70/37/1101757037.db2.gz ULZVBNKNUCJWIC-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4scnc4c3)cc2)C1 ZINC001241869849 1101757053 /nfs/dbraw/zinc/75/70/53/1101757053.db2.gz ULZVBNKNUCJWIC-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP Cc1cc(-c2ccc([C@@]34CC[NH2+][C@H]3COCC4)cc2)cc(C)[nH+]1 ZINC001241992235 1101842275 /nfs/dbraw/zinc/84/22/75/1101842275.db2.gz JPYFARCDKWLUPO-PMACEKPBSA-N 2 2 308.425 3.385 20 0 DGADLP Cc1cc(-c2ccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)cc2)cc(C)[nH+]1 ZINC001241995287 1101844534 /nfs/dbraw/zinc/84/45/34/1101844534.db2.gz PQSINSVATJIDLJ-WGSAOQKQSA-N 2 2 323.440 3.365 20 0 DGADLP CCOC(C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OCC ZINC001198790656 1101976628 /nfs/dbraw/zinc/97/66/28/1101976628.db2.gz KWSHQZVCJUQPOS-HNNXBMFYSA-N 2 2 323.481 3.217 20 0 DGADLP CCOC(C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OCC ZINC001198790656 1101976635 /nfs/dbraw/zinc/97/66/35/1101976635.db2.gz KWSHQZVCJUQPOS-HNNXBMFYSA-N 2 2 323.481 3.217 20 0 DGADLP Cc1c(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001242288292 1102031891 /nfs/dbraw/zinc/03/18/91/1102031891.db2.gz FUWGCWVJDYTUSM-MRXNPFEDSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001242288292 1102031903 /nfs/dbraw/zinc/03/19/03/1102031903.db2.gz FUWGCWVJDYTUSM-MRXNPFEDSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242307311 1102042071 /nfs/dbraw/zinc/04/20/71/1102042071.db2.gz JURXGPYWOBFNDI-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)c(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242307311 1102042081 /nfs/dbraw/zinc/04/20/81/1102042081.db2.gz JURXGPYWOBFNDI-OAHLLOKOSA-N 2 2 302.368 3.473 20 0 DGADLP COc1cc(F)cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC001199751156 1102205937 /nfs/dbraw/zinc/20/59/37/1102205937.db2.gz LQCQBXBLNVQHSQ-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3-n3cccn3)c2)C1 ZINC001242713094 1102302087 /nfs/dbraw/zinc/30/20/87/1102302087.db2.gz PFVYWJWFKRYHOT-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3-n3cccn3)c2)C1 ZINC001242713094 1102302100 /nfs/dbraw/zinc/30/21/00/1102302100.db2.gz PFVYWJWFKRYHOT-GOSISDBHSA-N 2 2 318.424 3.072 20 0 DGADLP CCOc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242938284 1102430111 /nfs/dbraw/zinc/43/01/11/1102430111.db2.gz GRXQALSBXZLGHZ-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242938284 1102430115 /nfs/dbraw/zinc/43/01/15/1102430115.db2.gz GRXQALSBXZLGHZ-INIZCTEOSA-N 2 2 314.404 3.424 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)s1 ZINC001205903893 1102457335 /nfs/dbraw/zinc/45/73/35/1102457335.db2.gz RWBBOFISHPZBBK-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)s1 ZINC001205903893 1102457338 /nfs/dbraw/zinc/45/73/38/1102457338.db2.gz RWBBOFISHPZBBK-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP CSc1ncc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1C ZINC001243158876 1102561935 /nfs/dbraw/zinc/56/19/35/1102561935.db2.gz SPYTXXHWCUOAGD-KRWDZBQOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1C ZINC001243158876 1102561945 /nfs/dbraw/zinc/56/19/45/1102561945.db2.gz SPYTXXHWCUOAGD-KRWDZBQOSA-N 2 2 313.470 3.312 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC001201618814 1102673393 /nfs/dbraw/zinc/67/33/93/1102673393.db2.gz WWESRHKLJDXIGX-ZDUSSCGKSA-N 2 2 302.447 3.080 20 0 DGADLP FC(F)Oc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001243356737 1102679981 /nfs/dbraw/zinc/67/99/81/1102679981.db2.gz BDSGWEAOVWBNRJ-UHFFFAOYSA-N 2 2 315.323 3.290 20 0 DGADLP C[NH+]1CCN(c2cc(Nc3ccc4c[nH+]ccc4c3)cc[nH+]2)CC1 ZINC001201659048 1102690357 /nfs/dbraw/zinc/69/03/57/1102690357.db2.gz PGWBARHJTPGSAU-UHFFFAOYSA-N 3 2 319.412 3.125 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931977 1102815858 /nfs/dbraw/zinc/81/58/58/1102815858.db2.gz MXDJEPVYSUGEQX-ZDUSSCGKSA-N 2 2 302.340 3.207 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931977 1102815875 /nfs/dbraw/zinc/81/58/75/1102815875.db2.gz MXDJEPVYSUGEQX-ZDUSSCGKSA-N 2 2 302.340 3.207 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cn3)cc2)c[nH+]1 ZINC001243656822 1102887453 /nfs/dbraw/zinc/88/74/53/1102887453.db2.gz ODMPRAKZHVGFCX-SFHVURJKSA-N 2 2 304.397 3.418 20 0 DGADLP Cc1nc(OC(C)C)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243661876 1102894018 /nfs/dbraw/zinc/89/40/18/1102894018.db2.gz NNYOZTVNWOJFNK-UHFFFAOYSA-N 2 2 322.412 3.179 20 0 DGADLP Nc1[nH+]ccn1-c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001243662989 1102896208 /nfs/dbraw/zinc/89/62/08/1102896208.db2.gz SAJNPDZZKAETGK-UHFFFAOYSA-N 2 2 315.380 3.366 20 0 DGADLP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)sc2C1 ZINC001325624840 1103085259 /nfs/dbraw/zinc/08/52/59/1103085259.db2.gz GIZXPAQJMUPVDK-CHWSQXEVSA-N 2 2 305.491 3.032 20 0 DGADLP c1c[nH+]c(-c2ccc(-c3ccc(O[C@H]4CC[NH2+]C4)cc3)cc2)[nH]1 ZINC001243978088 1103102479 /nfs/dbraw/zinc/10/24/79/1103102479.db2.gz HNHWKYCOAFLHLC-SFHVURJKSA-N 2 2 305.381 3.484 20 0 DGADLP Nc1cc(Cl)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244203011 1103278241 /nfs/dbraw/zinc/27/82/41/1103278241.db2.gz ZLXOWAXZJSNYKM-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1cc(Cl)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244203011 1103278252 /nfs/dbraw/zinc/27/82/52/1103278252.db2.gz ZLXOWAXZJSNYKM-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Cc1nn(C)c2cc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)ccc12 ZINC001244232166 1103296930 /nfs/dbraw/zinc/29/69/30/1103296930.db2.gz DCNJFIBWRCLWHJ-KRWDZBQOSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2cc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)ccc12 ZINC001244232166 1103296940 /nfs/dbraw/zinc/29/69/40/1103296940.db2.gz DCNJFIBWRCLWHJ-KRWDZBQOSA-N 2 2 320.440 3.082 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4[nH]c(=O)ccc4c3)c2)C1 ZINC001244235589 1103300408 /nfs/dbraw/zinc/30/04/08/1103300408.db2.gz CXXAZLCWZAZKIR-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4[nH]c(=O)ccc4c3)c2)C1 ZINC001244235589 1103300415 /nfs/dbraw/zinc/30/04/15/1103300415.db2.gz CXXAZLCWZAZKIR-GOSISDBHSA-N 2 2 319.408 3.140 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3cnccc3o2)C1 ZINC001326514649 1103349246 /nfs/dbraw/zinc/34/92/46/1103349246.db2.gz KOMFFTITPWWFQK-AWEZNQCLSA-N 2 2 310.401 3.016 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC001326514649 1103349260 /nfs/dbraw/zinc/34/92/60/1103349260.db2.gz KOMFFTITPWWFQK-AWEZNQCLSA-N 2 2 310.401 3.016 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@H+](C)CC2CCC2)c(C)[nH+]1 ZINC001327239419 1103594743 /nfs/dbraw/zinc/59/47/43/1103594743.db2.gz PEYJCWCYWKINGF-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CCC[N@@H+](C)CC2CCC2)c(C)[nH+]1 ZINC001327239419 1103594755 /nfs/dbraw/zinc/59/47/55/1103594755.db2.gz PEYJCWCYWKINGF-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001206617008 1103595057 /nfs/dbraw/zinc/59/50/57/1103595057.db2.gz XNWHKOZKFPNNCL-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C1 ZINC001206617008 1103595067 /nfs/dbraw/zinc/59/50/67/1103595067.db2.gz XNWHKOZKFPNNCL-NSHDSACASA-N 2 2 304.331 3.405 20 0 DGADLP CSc1ncc(C)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244884954 1103741967 /nfs/dbraw/zinc/74/19/67/1103741967.db2.gz MAHPAJPETQIRAJ-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(C)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244884954 1103741979 /nfs/dbraw/zinc/74/19/79/1103741979.db2.gz MAHPAJPETQIRAJ-MRXNPFEDSA-N 2 2 313.470 3.312 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cncc(OCC3CC3)c2)C1 ZINC001245247156 1103935103 /nfs/dbraw/zinc/93/51/03/1103935103.db2.gz OUNMOBDDIJFQEO-SFHVURJKSA-N 2 2 323.440 3.070 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cncc(OCC3CC3)c2)C1 ZINC001245247156 1103935110 /nfs/dbraw/zinc/93/51/10/1103935110.db2.gz OUNMOBDDIJFQEO-SFHVURJKSA-N 2 2 323.440 3.070 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3OC(C)C)C[C@@H]2C1 ZINC001137140721 1104007780 /nfs/dbraw/zinc/00/77/80/1104007780.db2.gz NJMMAOAILNDFEF-ROUUACIJSA-N 2 2 302.462 3.247 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)cs2)CC1 ZINC001137158133 1104023482 /nfs/dbraw/zinc/02/34/82/1104023482.db2.gz FJDBFFLTSQYGRG-INIZCTEOSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)cs2)CC1 ZINC001137158133 1104023492 /nfs/dbraw/zinc/02/34/92/1104023492.db2.gz FJDBFFLTSQYGRG-INIZCTEOSA-N 2 2 308.491 3.132 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001245425427 1104045099 /nfs/dbraw/zinc/04/50/99/1104045099.db2.gz GFORWQMOQJHLLT-LJQANCHMSA-N 2 2 323.440 3.355 20 0 DGADLP Nc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001245509834 1104093934 /nfs/dbraw/zinc/09/39/34/1104093934.db2.gz NPEGVBKXUZLLAY-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP Nc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001245509834 1104093942 /nfs/dbraw/zinc/09/39/42/1104093942.db2.gz NPEGVBKXUZLLAY-HNNXBMFYSA-N 2 2 301.821 3.122 20 0 DGADLP C[C@@H]1C[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205981785 1104166605 /nfs/dbraw/zinc/16/66/05/1104166605.db2.gz HDLUYPCLYPOULM-RKDXNWHRSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001205981785 1104166609 /nfs/dbraw/zinc/16/66/09/1104166609.db2.gz HDLUYPCLYPOULM-RKDXNWHRSA-N 2 2 322.321 3.189 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245776609 1104231880 /nfs/dbraw/zinc/23/18/80/1104231880.db2.gz DBRAYWFOSBIIJH-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1nc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245776609 1104231884 /nfs/dbraw/zinc/23/18/84/1104231884.db2.gz DBRAYWFOSBIIJH-HNNXBMFYSA-N 2 2 301.821 3.243 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001329666114 1104362762 /nfs/dbraw/zinc/36/27/62/1104362762.db2.gz NEGCPUMVLOQQJD-ZFWWWQNUSA-N 2 2 322.522 3.014 20 0 DGADLP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001329666114 1104362772 /nfs/dbraw/zinc/36/27/72/1104362772.db2.gz NEGCPUMVLOQQJD-ZFWWWQNUSA-N 2 2 322.522 3.014 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2OC)C[C@H](CC)[NH2+]1 ZINC001246078178 1104372198 /nfs/dbraw/zinc/37/21/98/1104372198.db2.gz VVWODVQUOCQSDH-FICVDOATSA-N 2 2 312.404 3.372 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1ccccc1 ZINC001246079401 1104375094 /nfs/dbraw/zinc/37/50/94/1104375094.db2.gz YUMUPOIBLBQIPC-CRAIPNDOSA-N 2 2 300.833 3.487 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246092085 1104379883 /nfs/dbraw/zinc/37/98/83/1104379883.db2.gz HXZVCZLRDSUCSD-DFBGVHRSSA-N 2 2 317.235 3.140 20 0 DGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246106155 1104388455 /nfs/dbraw/zinc/38/84/55/1104388455.db2.gz DWQDMXNQCSQUGE-CQDKDKBSSA-N 2 2 317.235 3.140 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115443 1104391849 /nfs/dbraw/zinc/39/18/49/1104391849.db2.gz YUIKCTBYNPUWLC-MCIONIFRSA-N 2 2 314.470 3.360 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001246113984 1104392387 /nfs/dbraw/zinc/39/23/87/1104392387.db2.gz OSDMQIQZNDHQOL-WBMJQRKESA-N 2 2 316.823 3.482 20 0 DGADLP Clc1ccc(C2CCC([NH2+][C@H]3C[NH2+][C@@H]4CCO[C@@H]43)CC2)cc1 ZINC001246152982 1104408837 /nfs/dbraw/zinc/40/88/37/1104408837.db2.gz PHHWRUPRQVORLV-HELJDXQESA-N 2 2 320.864 3.085 20 0 DGADLP COC(=O)c1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246171943 1104418975 /nfs/dbraw/zinc/41/89/75/1104418975.db2.gz UOFOZQDASQBICT-MRXNPFEDSA-N 2 2 316.445 3.018 20 0 DGADLP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246178127 1104424054 /nfs/dbraw/zinc/42/40/54/1104424054.db2.gz NMNQOHJZBAFNTE-VQTJNVASSA-N 3 2 315.505 3.463 20 0 DGADLP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246178127 1104424058 /nfs/dbraw/zinc/42/40/58/1104424058.db2.gz NMNQOHJZBAFNTE-VQTJNVASSA-N 3 2 315.505 3.463 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246187871 1104427429 /nfs/dbraw/zinc/42/74/29/1104427429.db2.gz PHJLKOOIYUKFBI-YJBOKZPZSA-N 2 2 314.404 3.417 20 0 DGADLP COc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246186569 1104427841 /nfs/dbraw/zinc/42/78/41/1104427841.db2.gz IYFNLWVQRFQUDT-AWEZNQCLSA-N 2 2 306.425 3.379 20 0 DGADLP Brc1ccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246200686 1104435699 /nfs/dbraw/zinc/43/56/99/1104435699.db2.gz CDMWSWXIXNGRQI-AWEZNQCLSA-N 2 2 309.251 3.170 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Br)CC[NH2+]1 ZINC001246213699 1104438631 /nfs/dbraw/zinc/43/86/31/1104438631.db2.gz ZHHOJDHDNXQDTE-STQMWFEESA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246277681 1104470841 /nfs/dbraw/zinc/47/08/41/1104470841.db2.gz AJQHZJJSPAJDQP-CRAIPNDOSA-N 2 2 302.368 3.112 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246286453 1104473776 /nfs/dbraw/zinc/47/37/76/1104473776.db2.gz YFHVJLDPKLBOGJ-IBGZPJMESA-N 3 2 305.510 3.048 20 0 DGADLP CCC[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246286453 1104473782 /nfs/dbraw/zinc/47/37/82/1104473782.db2.gz YFHVJLDPKLBOGJ-IBGZPJMESA-N 3 2 305.510 3.048 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001274858707 1104522793 /nfs/dbraw/zinc/52/27/93/1104522793.db2.gz WRCCDCYRYGRYBP-CQSZACIVSA-N 2 2 305.466 3.151 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2Cl)C[C@H](CC)[NH2+]1 ZINC001246395467 1104524362 /nfs/dbraw/zinc/52/43/62/1104524362.db2.gz MUBDQYACBBYMGL-UMPJEAMMSA-N 2 2 310.869 3.272 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246402136 1104527323 /nfs/dbraw/zinc/52/73/23/1104527323.db2.gz JLDUUHGVJMNRFH-BZSNNMDCSA-N 3 2 319.468 3.040 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246402136 1104527329 /nfs/dbraw/zinc/52/73/29/1104527329.db2.gz JLDUUHGVJMNRFH-BZSNNMDCSA-N 3 2 319.468 3.040 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC001246442407 1104541418 /nfs/dbraw/zinc/54/14/18/1104541418.db2.gz RPSZQCHQTFJRBM-CYBMUJFWSA-N 2 2 316.367 3.336 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@H](CC2CCOCC2)c2ccccc2)C[NH2+]1 ZINC001246453223 1104544187 /nfs/dbraw/zinc/54/41/87/1104544187.db2.gz AWUHPHQHTRPVRU-AYOQOUSVSA-N 2 2 302.462 3.275 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CCOCC2)c2ccccc2)C[NH2+]1 ZINC001246453224 1104544313 /nfs/dbraw/zinc/54/43/13/1104544313.db2.gz AWUHPHQHTRPVRU-LZQZEXGQSA-N 2 2 302.462 3.275 20 0 DGADLP CCCC[C@@H]1C[C@H]([NH2+][C@H]2COc3c2cccc3OC)CC[NH2+]1 ZINC001246517086 1104573824 /nfs/dbraw/zinc/57/38/24/1104573824.db2.gz ZOUWQHVPBWUBDF-FMKPAKJESA-N 2 2 304.434 3.029 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246541060 1104586440 /nfs/dbraw/zinc/58/64/40/1104586440.db2.gz LMEKPVSWBGGTNB-MOPGFXCFSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541060 1104586450 /nfs/dbraw/zinc/58/64/50/1104586450.db2.gz LMEKPVSWBGGTNB-MOPGFXCFSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541060 1104586459 /nfs/dbraw/zinc/58/64/59/1104586459.db2.gz LMEKPVSWBGGTNB-MOPGFXCFSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541060 1104586467 /nfs/dbraw/zinc/58/64/67/1104586467.db2.gz LMEKPVSWBGGTNB-MOPGFXCFSA-N 3 2 315.505 3.243 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001275038589 1104588827 /nfs/dbraw/zinc/58/88/27/1104588827.db2.gz DRJQFYIOWCJREK-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001275038589 1104588832 /nfs/dbraw/zinc/58/88/32/1104588832.db2.gz DRJQFYIOWCJREK-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC001275038589 1104588839 /nfs/dbraw/zinc/58/88/39/1104588839.db2.gz DRJQFYIOWCJREK-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC001275038589 1104588845 /nfs/dbraw/zinc/58/88/45/1104588845.db2.gz DRJQFYIOWCJREK-IBGZPJMESA-N 2 2 316.493 3.278 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557680 1104595020 /nfs/dbraw/zinc/59/50/20/1104595020.db2.gz NEOCZLBEHAOOSM-WDEREUQCSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557680 1104595027 /nfs/dbraw/zinc/59/50/27/1104595027.db2.gz NEOCZLBEHAOOSM-WDEREUQCSA-N 2 2 320.786 3.326 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575309 1104601805 /nfs/dbraw/zinc/60/18/05/1104601805.db2.gz WOQPPAZOFCOJTR-FZMZJTMJSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246575309 1104601808 /nfs/dbraw/zinc/60/18/08/1104601808.db2.gz WOQPPAZOFCOJTR-FZMZJTMJSA-N 2 2 313.272 3.392 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246612101 1104626185 /nfs/dbraw/zinc/62/61/85/1104626185.db2.gz HHZUIXKDZPTYLU-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246612101 1104626188 /nfs/dbraw/zinc/62/61/88/1104626188.db2.gz HHZUIXKDZPTYLU-QFBILLFUSA-N 2 2 320.427 3.430 20 0 DGADLP CCCC[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001275118336 1104633617 /nfs/dbraw/zinc/63/36/17/1104633617.db2.gz XCXFHHDAKFHLFK-UHFFFAOYSA-N 2 2 312.461 3.261 20 0 DGADLP CCCCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275120101 1104635077 /nfs/dbraw/zinc/63/50/77/1104635077.db2.gz DVQVDGUVSGHGKZ-ZWKOTPCHSA-N 3 2 304.482 3.098 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630953 1104636698 /nfs/dbraw/zinc/63/66/98/1104636698.db2.gz MGMMLUYQGUFRRA-XJKSGUPXSA-N 2 2 323.278 3.066 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246630953 1104636703 /nfs/dbraw/zinc/63/67/03/1104636703.db2.gz MGMMLUYQGUFRRA-XJKSGUPXSA-N 2 2 323.278 3.066 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636998 1104639981 /nfs/dbraw/zinc/63/99/81/1104639981.db2.gz IHXUUAPGEOGBEA-APHBMKBZSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)C2 ZINC001246636998 1104639984 /nfs/dbraw/zinc/63/99/84/1104639984.db2.gz IHXUUAPGEOGBEA-APHBMKBZSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637475 1104640387 /nfs/dbraw/zinc/64/03/87/1104640387.db2.gz ZAHWKZVJVVPXEN-WMZOPIPTSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CO2 ZINC001246637475 1104640390 /nfs/dbraw/zinc/64/03/90/1104640390.db2.gz ZAHWKZVJVVPXEN-WMZOPIPTSA-N 2 2 320.864 3.252 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641464 1104641491 /nfs/dbraw/zinc/64/14/91/1104641491.db2.gz IHXUUAPGEOGBEA-UHOFOFEASA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)C2 ZINC001246641464 1104641497 /nfs/dbraw/zinc/64/14/97/1104641497.db2.gz IHXUUAPGEOGBEA-UHOFOFEASA-N 2 2 311.256 3.287 20 0 DGADLP CCC(C)(C)C1CCC([N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651792 1104647549 /nfs/dbraw/zinc/64/75/49/1104647549.db2.gz ZWVJLFCFCDGESG-FAFZWHIHSA-N 2 2 308.510 3.436 20 0 DGADLP CCC(C)(C)C1CCC([N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651792 1104647554 /nfs/dbraw/zinc/64/75/54/1104647554.db2.gz ZWVJLFCFCDGESG-FAFZWHIHSA-N 2 2 308.510 3.436 20 0 DGADLP CC(C)(C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275151560 1104653505 /nfs/dbraw/zinc/65/35/05/1104653505.db2.gz JLCNCFUKLWCPEK-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275151560 1104653508 /nfs/dbraw/zinc/65/35/08/1104653508.db2.gz JLCNCFUKLWCPEK-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275151560 1104653512 /nfs/dbraw/zinc/65/35/12/1104653512.db2.gz JLCNCFUKLWCPEK-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275151560 1104653515 /nfs/dbraw/zinc/65/35/15/1104653515.db2.gz JLCNCFUKLWCPEK-GOSISDBHSA-N 2 2 304.482 3.134 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774415 1104669303 /nfs/dbraw/zinc/66/93/03/1104669303.db2.gz FARGNRQHPIZNRZ-IYWMVGAKSA-N 2 2 315.505 3.284 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246774415 1104669306 /nfs/dbraw/zinc/66/93/06/1104669306.db2.gz FARGNRQHPIZNRZ-IYWMVGAKSA-N 2 2 315.505 3.284 20 0 DGADLP Clc1ccccc1N1CC[NH+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246810468 1104685417 /nfs/dbraw/zinc/68/54/17/1104685417.db2.gz NIZSEPOHGRFJLM-OAHLLOKOSA-N 2 2 319.880 3.137 20 0 DGADLP c1n[nH]cc1C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001275240607 1104687015 /nfs/dbraw/zinc/68/70/15/1104687015.db2.gz ZPFOHBGJFFCWEW-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP c1n[nH]cc1C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC001275240607 1104687021 /nfs/dbraw/zinc/68/70/21/1104687021.db2.gz ZPFOHBGJFFCWEW-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001275240607 1104687027 /nfs/dbraw/zinc/68/70/27/1104687027.db2.gz ZPFOHBGJFFCWEW-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP c1n[nH]cc1C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001275240607 1104687033 /nfs/dbraw/zinc/68/70/33/1104687033.db2.gz ZPFOHBGJFFCWEW-HXUWFJFHSA-N 2 2 324.472 3.288 20 0 DGADLP CC(C)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001246881223 1104719259 /nfs/dbraw/zinc/71/92/59/1104719259.db2.gz YYVGCBSLSZEHNY-VQTJNVASSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001246881223 1104719266 /nfs/dbraw/zinc/71/92/66/1104719266.db2.gz YYVGCBSLSZEHNY-VQTJNVASSA-N 2 2 312.457 3.336 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)ccc1C ZINC001275319654 1104720067 /nfs/dbraw/zinc/72/00/67/1104720067.db2.gz XAJUEUDEUIHHNH-MQVJKMGUSA-N 2 2 323.278 3.472 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1C ZINC001275319654 1104720072 /nfs/dbraw/zinc/72/00/72/1104720072.db2.gz XAJUEUDEUIHHNH-MQVJKMGUSA-N 2 2 323.278 3.472 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911494 1104733864 /nfs/dbraw/zinc/73/38/64/1104733864.db2.gz BYWFKJQIVYAEBO-OTWHNJEPSA-N 2 2 316.489 3.097 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC001246911494 1104733872 /nfs/dbraw/zinc/73/38/72/1104733872.db2.gz BYWFKJQIVYAEBO-OTWHNJEPSA-N 2 2 316.489 3.097 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246916958 1104735587 /nfs/dbraw/zinc/73/55/87/1104735587.db2.gz NCCFFIITXPKBHQ-HMDCTGQHSA-N 2 2 322.493 3.102 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246916958 1104735592 /nfs/dbraw/zinc/73/55/92/1104735592.db2.gz NCCFFIITXPKBHQ-HMDCTGQHSA-N 2 2 322.493 3.102 20 0 DGADLP CCC[C@H](CCc1ccccc1)[N@H+](CCC[NH3+])CC(=O)OCC ZINC001246919459 1104737171 /nfs/dbraw/zinc/73/71/71/1104737171.db2.gz AXGNFJJMXXKSQT-GOSISDBHSA-N 2 2 320.477 3.002 20 0 DGADLP CCC[C@H](CCc1ccccc1)[N@@H+](CCC[NH3+])CC(=O)OCC ZINC001246919459 1104737177 /nfs/dbraw/zinc/73/71/77/1104737177.db2.gz AXGNFJJMXXKSQT-GOSISDBHSA-N 2 2 320.477 3.002 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246943531 1104746557 /nfs/dbraw/zinc/74/65/57/1104746557.db2.gz UQHZECJACOLOJC-MOPGFXCFSA-N 3 2 303.494 3.143 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246943531 1104746562 /nfs/dbraw/zinc/74/65/62/1104746562.db2.gz UQHZECJACOLOJC-MOPGFXCFSA-N 3 2 303.494 3.143 20 0 DGADLP C[C@@H](Cc1ccco1)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246999923 1104770403 /nfs/dbraw/zinc/77/04/03/1104770403.db2.gz CRGNYCIFXLMERJ-INIZCTEOSA-N 2 2 310.441 3.348 20 0 DGADLP CC/C=C/CC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606849 1104830632 /nfs/dbraw/zinc/83/06/32/1104830632.db2.gz HXBSUWNWGIPNEB-ROJDOSBLSA-N 2 2 317.477 3.413 20 0 DGADLP CC/C=C/CC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275606849 1104830642 /nfs/dbraw/zinc/83/06/42/1104830642.db2.gz HXBSUWNWGIPNEB-ROJDOSBLSA-N 2 2 317.477 3.413 20 0 DGADLP c1ccc(OCC[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001275995253 1104982082 /nfs/dbraw/zinc/98/20/82/1104982082.db2.gz QMOVGUYXOGRZCU-UHFFFAOYSA-N 2 2 314.473 3.406 20 0 DGADLP c1ccc(OCC[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)cc1 ZINC001275995253 1104982085 /nfs/dbraw/zinc/98/20/85/1104982085.db2.gz QMOVGUYXOGRZCU-UHFFFAOYSA-N 2 2 314.473 3.406 20 0 DGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(F)c3OC)(C1)CCC2 ZINC001275999947 1104984040 /nfs/dbraw/zinc/98/40/40/1104984040.db2.gz OOODWPIYHYONCU-DLBZAZTESA-N 2 2 310.388 3.128 20 0 DGADLP c1[nH]c2cnccc2c1C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276049384 1105005432 /nfs/dbraw/zinc/00/54/32/1105005432.db2.gz VQKVICSHERPAJA-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1[nH]c2cnccc2c1C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276049384 1105005440 /nfs/dbraw/zinc/00/54/40/1105005440.db2.gz VQKVICSHERPAJA-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP C[C@@H](c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)[NH+]1CCCC1 ZINC001248123186 1105049130 /nfs/dbraw/zinc/04/91/30/1105049130.db2.gz SUMQFVPBVZWQTQ-ZDUSSCGKSA-N 2 2 309.373 3.079 20 0 DGADLP CCCCc1[nH]c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c[nH+]1 ZINC001276217878 1105052940 /nfs/dbraw/zinc/05/29/40/1105052940.db2.gz VOFXEEPDKBSKSW-MAUKXSAKSA-N 2 2 316.493 3.201 20 0 DGADLP CCCCc1[nH]c(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c[nH+]1 ZINC001276217878 1105052948 /nfs/dbraw/zinc/05/29/48/1105052948.db2.gz VOFXEEPDKBSKSW-MAUKXSAKSA-N 2 2 316.493 3.201 20 0 DGADLP CCCCc1[nH]cc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)[nH+]1 ZINC001276217878 1105052956 /nfs/dbraw/zinc/05/29/56/1105052956.db2.gz VOFXEEPDKBSKSW-MAUKXSAKSA-N 2 2 316.493 3.201 20 0 DGADLP CCCCc1[nH]cc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)[nH+]1 ZINC001276217878 1105052962 /nfs/dbraw/zinc/05/29/62/1105052962.db2.gz VOFXEEPDKBSKSW-MAUKXSAKSA-N 2 2 316.493 3.201 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236534 1105057852 /nfs/dbraw/zinc/05/78/52/1105057852.db2.gz LRELUFSYATUWLS-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236534 1105057857 /nfs/dbraw/zinc/05/78/57/1105057857.db2.gz LRELUFSYATUWLS-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236534 1105057865 /nfs/dbraw/zinc/05/78/65/1105057865.db2.gz LRELUFSYATUWLS-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH]c3cnc(Cl)cc13)C2 ZINC001276236534 1105057872 /nfs/dbraw/zinc/05/78/72/1105057872.db2.gz LRELUFSYATUWLS-KRWDZBQOSA-N 2 2 318.852 3.134 20 0 DGADLP C[NH2+][C@H](CC(C)C)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248205707 1105068143 /nfs/dbraw/zinc/06/81/43/1105068143.db2.gz MEQIBGVOQCMERJ-OAHLLOKOSA-N 2 2 311.389 3.229 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001250058637 1105434095 /nfs/dbraw/zinc/43/40/95/1105434095.db2.gz AHIDRHGMBKSCLZ-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001250058637 1105434098 /nfs/dbraw/zinc/43/40/98/1105434098.db2.gz AHIDRHGMBKSCLZ-UHFFFAOYSA-N 2 2 306.450 3.012 20 0 DGADLP Cc1c(CN(CC[NH+](C)C)Cc2ccccc2)[nH+]c2ccccn21 ZINC001137267243 1105467715 /nfs/dbraw/zinc/46/77/15/1105467715.db2.gz SICCVNPSBPGDFJ-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Cc1cccc(-c2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)c1 ZINC001250464945 1105518145 /nfs/dbraw/zinc/51/81/45/1105518145.db2.gz PIGZRXZVZYMCFI-UHFFFAOYSA-N 2 2 306.413 3.290 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418195 1105519190 /nfs/dbraw/zinc/51/91/90/1105519190.db2.gz PLSINOVDJIDVLZ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418195 1105519195 /nfs/dbraw/zinc/51/91/95/1105519195.db2.gz PLSINOVDJIDVLZ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418195 1105519200 /nfs/dbraw/zinc/51/92/00/1105519200.db2.gz PLSINOVDJIDVLZ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001137418195 1105519204 /nfs/dbraw/zinc/51/92/04/1105519204.db2.gz PLSINOVDJIDVLZ-LEWJYISDSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1cccc(Cc2[nH]c3c(cccc3N3CC[NH+](C)CC3)[nH+]2)c1 ZINC001250554355 1105536599 /nfs/dbraw/zinc/53/65/99/1105536599.db2.gz PVHJQRIXTHSFOJ-UHFFFAOYSA-N 2 2 320.440 3.214 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000347031215 1105599069 /nfs/dbraw/zinc/59/90/69/1105599069.db2.gz YLUGSAVBONBEJF-GOSISDBHSA-N 2 2 320.440 3.339 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000347031215 1105599072 /nfs/dbraw/zinc/59/90/72/1105599072.db2.gz YLUGSAVBONBEJF-GOSISDBHSA-N 2 2 320.440 3.339 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253189864 1105900634 /nfs/dbraw/zinc/90/06/34/1105900634.db2.gz MCQCTYMEUJZKCN-DLBZAZTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253189864 1105900640 /nfs/dbraw/zinc/90/06/40/1105900640.db2.gz MCQCTYMEUJZKCN-DLBZAZTESA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001253202772 1105902554 /nfs/dbraw/zinc/90/25/54/1105902554.db2.gz NIXHDRUGZGVIET-DGCLKSJQSA-N 2 2 319.276 3.347 20 0 DGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001253206574 1105903821 /nfs/dbraw/zinc/90/38/21/1105903821.db2.gz QIIQFFPKRHOAQP-WFASDCNBSA-N 2 2 318.383 3.059 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](c1ccccc1F)C1CCC1 ZINC001253407832 1105936397 /nfs/dbraw/zinc/93/63/97/1105936397.db2.gz QJBXHHPBMWGPDL-YOEHRIQHSA-N 2 2 308.441 3.006 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1F ZINC001253410962 1105937401 /nfs/dbraw/zinc/93/74/01/1105937401.db2.gz YQKVWUVMPSVNEO-MAUKXSAKSA-N 2 2 322.468 3.396 20 0 DGADLP CCCCC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001253556197 1105957929 /nfs/dbraw/zinc/95/79/29/1105957929.db2.gz UPQVIQZIAUYWDF-PMACEKPBSA-N 2 2 318.505 3.224 20 0 DGADLP Cc1cc(F)cc(C[NH+]2CCC([NH2+]C[C@@H](O)C(C)(C)C)CC2)c1 ZINC001253746712 1105979086 /nfs/dbraw/zinc/97/90/86/1105979086.db2.gz AOMGGINBMQHICS-GOSISDBHSA-N 2 2 322.468 3.095 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254514027 1106088013 /nfs/dbraw/zinc/08/80/13/1106088013.db2.gz IEWYTOONGGILFQ-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254514027 1106088018 /nfs/dbraw/zinc/08/80/18/1106088018.db2.gz IEWYTOONGGILFQ-IBGZPJMESA-N 3 2 315.505 3.115 20 0 DGADLP CC1CC[NH+](CC[NH2+]C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254610787 1106113331 /nfs/dbraw/zinc/11/33/31/1106113331.db2.gz PSHCDUGTNIVLPI-UHFFFAOYSA-N 2 2 319.468 3.116 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c2ccccc12 ZINC001254842175 1106146729 /nfs/dbraw/zinc/14/67/29/1106146729.db2.gz DDGUDTNWUHEJEM-QGZVFWFLSA-N 2 2 310.441 3.422 20 0 DGADLP COc1ccccc1CC(C)(C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254848398 1106147769 /nfs/dbraw/zinc/14/77/69/1106147769.db2.gz OQQJDNOQUCDZAH-KRWDZBQOSA-N 2 2 302.462 3.090 20 0 DGADLP FC(F)(F)C(CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1)C(F)(F)F ZINC001254853494 1106149943 /nfs/dbraw/zinc/14/99/43/1106149943.db2.gz WPLVMKHFADQSBU-SNVBAGLBSA-N 2 2 318.305 3.191 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123522 1106183793 /nfs/dbraw/zinc/18/37/93/1106183793.db2.gz CHPSIURQJGVPDB-BCDXTJNWSA-N 2 2 314.473 3.387 20 0 DGADLP CC(C)(C)C(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123522 1106183796 /nfs/dbraw/zinc/18/37/96/1106183796.db2.gz CHPSIURQJGVPDB-BCDXTJNWSA-N 2 2 314.473 3.387 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255143098 1106189524 /nfs/dbraw/zinc/18/95/24/1106189524.db2.gz VSTYKVYQXDJBKP-RZIOSVHNSA-N 2 2 324.468 3.378 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255143098 1106189525 /nfs/dbraw/zinc/18/95/25/1106189525.db2.gz VSTYKVYQXDJBKP-RZIOSVHNSA-N 2 2 324.468 3.378 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255143098 1106189528 /nfs/dbraw/zinc/18/95/28/1106189528.db2.gz VSTYKVYQXDJBKP-RZIOSVHNSA-N 2 2 324.468 3.378 20 0 DGADLP O=C1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255143098 1106189529 /nfs/dbraw/zinc/18/95/29/1106189529.db2.gz VSTYKVYQXDJBKP-RZIOSVHNSA-N 2 2 324.468 3.378 20 0 DGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255291972 1106216422 /nfs/dbraw/zinc/21/64/22/1106216422.db2.gz BWGDZXJPFKBVNR-MRXNPFEDSA-N 2 2 308.466 3.227 20 0 DGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255291972 1106216425 /nfs/dbraw/zinc/21/64/25/1106216425.db2.gz BWGDZXJPFKBVNR-MRXNPFEDSA-N 2 2 308.466 3.227 20 0 DGADLP CCCC[C@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001255327169 1106223201 /nfs/dbraw/zinc/22/32/01/1106223201.db2.gz WHRDUAJYZCXPTG-IRXDYDNUSA-N 2 2 317.477 3.378 20 0 DGADLP C[C@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399272 1106242561 /nfs/dbraw/zinc/24/25/61/1106242561.db2.gz QAYWOLZXRAEFME-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399272 1106242564 /nfs/dbraw/zinc/24/25/64/1106242564.db2.gz QAYWOLZXRAEFME-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399272 1106242566 /nfs/dbraw/zinc/24/25/66/1106242566.db2.gz QAYWOLZXRAEFME-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1=O ZINC001255399272 1106242568 /nfs/dbraw/zinc/24/25/68/1106242568.db2.gz QAYWOLZXRAEFME-PKOBYXMFSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405042 1106245403 /nfs/dbraw/zinc/24/54/03/1106245403.db2.gz MLCLKKNXOSEQHM-HXUWFJFHSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405042 1106245406 /nfs/dbraw/zinc/24/54/06/1106245406.db2.gz MLCLKKNXOSEQHM-HXUWFJFHSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405042 1106245412 /nfs/dbraw/zinc/24/54/12/1106245412.db2.gz MLCLKKNXOSEQHM-HXUWFJFHSA-N 2 2 307.441 3.452 20 0 DGADLP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3Cc4ccncc4C3)CC2)cc1 ZINC001255405042 1106245417 /nfs/dbraw/zinc/24/54/17/1106245417.db2.gz MLCLKKNXOSEQHM-HXUWFJFHSA-N 2 2 307.441 3.452 20 0 DGADLP C[N@H+](CCC(=O)c1cccs1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255682667 1106293524 /nfs/dbraw/zinc/29/35/24/1106293524.db2.gz JVPWHGUYFMUUAE-YIONKMFJSA-N 2 2 306.475 3.268 20 0 DGADLP C[N@@H+](CCC(=O)c1cccs1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255682667 1106293525 /nfs/dbraw/zinc/29/35/25/1106293525.db2.gz JVPWHGUYFMUUAE-YIONKMFJSA-N 2 2 306.475 3.268 20 0 DGADLP C[NH+](CCC(=O)c1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255682667 1106293529 /nfs/dbraw/zinc/29/35/29/1106293529.db2.gz JVPWHGUYFMUUAE-YIONKMFJSA-N 2 2 306.475 3.268 20 0 DGADLP C[NH+](CCC(=O)c1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255682667 1106293532 /nfs/dbraw/zinc/29/35/32/1106293532.db2.gz JVPWHGUYFMUUAE-YIONKMFJSA-N 2 2 306.475 3.268 20 0 DGADLP Cc1ccn2cc(C[N@@H+](C)C3C[C@H]4CCC[C@@H](C3)[NH+]4C)nc2c1 ZINC001255685079 1106294855 /nfs/dbraw/zinc/29/48/55/1106294855.db2.gz JLRZEXGCGZGUEM-JWTNVVGKSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[N@H+](C)C3C[C@H]4CCC[C@@H](C3)[NH+]4C)nc2c1 ZINC001255685079 1106294858 /nfs/dbraw/zinc/29/48/58/1106294858.db2.gz JLRZEXGCGZGUEM-JWTNVVGKSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[NH+](C)C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)nc2c1 ZINC001255685079 1106294861 /nfs/dbraw/zinc/29/48/61/1106294861.db2.gz JLRZEXGCGZGUEM-JWTNVVGKSA-N 2 2 312.461 3.090 20 0 DGADLP Cc1ccn2cc(C[NH+](C)C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nc2c1 ZINC001255685079 1106294864 /nfs/dbraw/zinc/29/48/64/1106294864.db2.gz JLRZEXGCGZGUEM-JWTNVVGKSA-N 2 2 312.461 3.090 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)c(OC)c1F ZINC001255947003 1106345985 /nfs/dbraw/zinc/34/59/85/1106345985.db2.gz MNIXEOHEEFGNPH-LBPRGKRZSA-N 2 2 300.393 3.183 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001255960008 1106350301 /nfs/dbraw/zinc/35/03/01/1106350301.db2.gz CJACYLKZPWKQFH-MOPGFXCFSA-N 3 2 309.542 3.447 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001255960008 1106350305 /nfs/dbraw/zinc/35/03/05/1106350305.db2.gz CJACYLKZPWKQFH-MOPGFXCFSA-N 3 2 309.542 3.447 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C)CC1 ZINC001255964691 1106351262 /nfs/dbraw/zinc/35/12/62/1106351262.db2.gz ATABQZQAOZKCAI-QGZVFWFLSA-N 2 2 321.484 3.377 20 0 DGADLP Cc1cccc(OC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC001256081165 1106366282 /nfs/dbraw/zinc/36/62/82/1106366282.db2.gz QRYBXPWTTGYHKI-UHFFFAOYSA-N 2 2 314.473 3.465 20 0 DGADLP COc1ccc2c(c1)C[N@H+](C1CC[NH+](C3CC3)CC1)CCC2 ZINC001256081826 1106367429 /nfs/dbraw/zinc/36/74/29/1106367429.db2.gz NGCMQTMRTAAANB-UHFFFAOYSA-N 2 2 300.446 3.070 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](C3CC3)CC1)CCC2 ZINC001256081826 1106367432 /nfs/dbraw/zinc/36/74/32/1106367432.db2.gz NGCMQTMRTAAANB-UHFFFAOYSA-N 2 2 300.446 3.070 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(F)nc2C)[nH+]1 ZINC001256115032 1106370888 /nfs/dbraw/zinc/37/08/88/1106370888.db2.gz AORUWVAWUCFIHR-INIZCTEOSA-N 2 2 314.408 3.309 20 0 DGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(F)nc2C)[nH+]1 ZINC001256115032 1106370894 /nfs/dbraw/zinc/37/08/94/1106370894.db2.gz AORUWVAWUCFIHR-INIZCTEOSA-N 2 2 314.408 3.309 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(F)nc2C)[nH+]1 ZINC001256115058 1106370972 /nfs/dbraw/zinc/37/09/72/1106370972.db2.gz AORUWVAWUCFIHR-MRXNPFEDSA-N 2 2 314.408 3.309 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(F)nc2C)[nH+]1 ZINC001256115058 1106370980 /nfs/dbraw/zinc/37/09/80/1106370980.db2.gz AORUWVAWUCFIHR-MRXNPFEDSA-N 2 2 314.408 3.309 20 0 DGADLP Cc1ccccc1C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256201730 1106389873 /nfs/dbraw/zinc/38/98/73/1106389873.db2.gz QACIXGONLREDQA-WGSAOQKQSA-N 3 2 315.505 3.161 20 0 DGADLP Cc1ccccc1C[N@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256201730 1106389880 /nfs/dbraw/zinc/38/98/80/1106389880.db2.gz QACIXGONLREDQA-WGSAOQKQSA-N 3 2 315.505 3.161 20 0 DGADLP C[NH+]1CCC([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)CC1 ZINC001256204339 1106390345 /nfs/dbraw/zinc/39/03/45/1106390345.db2.gz GUBYGADWIIYOHI-GOSISDBHSA-N 2 2 314.473 3.119 20 0 DGADLP CCOC1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001256439876 1106423822 /nfs/dbraw/zinc/42/38/22/1106423822.db2.gz UUCUVFDRUZRDSN-UHFFFAOYSA-N 2 2 304.434 3.273 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC001256528614 1106433830 /nfs/dbraw/zinc/43/38/30/1106433830.db2.gz IPHFFXPAFSGDLA-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001256528614 1106433834 /nfs/dbraw/zinc/43/38/34/1106433834.db2.gz IPHFFXPAFSGDLA-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cncnc1 ZINC001256527291 1106433871 /nfs/dbraw/zinc/43/38/71/1106433871.db2.gz RGAYQGIEGHZXCI-JTDSTZFVSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cncnc1 ZINC001256527291 1106433875 /nfs/dbraw/zinc/43/38/75/1106433875.db2.gz RGAYQGIEGHZXCI-JTDSTZFVSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529655 1106433923 /nfs/dbraw/zinc/43/39/23/1106433923.db2.gz DVWLBPYSZAKDEB-KBAYOESNSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256529655 1106433926 /nfs/dbraw/zinc/43/39/26/1106433926.db2.gz DVWLBPYSZAKDEB-KBAYOESNSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC001256529974 1106435300 /nfs/dbraw/zinc/43/53/00/1106435300.db2.gz ZKEHBQPPDOQPKQ-YSIASYRMSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC001256529974 1106435304 /nfs/dbraw/zinc/43/53/04/1106435304.db2.gz ZKEHBQPPDOQPKQ-YSIASYRMSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529974 1106435305 /nfs/dbraw/zinc/43/53/05/1106435305.db2.gz ZKEHBQPPDOQPKQ-YSIASYRMSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC001256529974 1106435310 /nfs/dbraw/zinc/43/53/10/1106435310.db2.gz ZKEHBQPPDOQPKQ-YSIASYRMSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552283 1106441069 /nfs/dbraw/zinc/44/10/69/1106441069.db2.gz BDKPCHZNFAAGAU-FRYIKTPZSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256552283 1106441070 /nfs/dbraw/zinc/44/10/70/1106441070.db2.gz BDKPCHZNFAAGAU-FRYIKTPZSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552283 1106441074 /nfs/dbraw/zinc/44/10/74/1106441074.db2.gz BDKPCHZNFAAGAU-FRYIKTPZSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552283 1106441077 /nfs/dbraw/zinc/44/10/77/1106441077.db2.gz BDKPCHZNFAAGAU-FRYIKTPZSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552289 1106441182 /nfs/dbraw/zinc/44/11/82/1106441182.db2.gz BDKPCHZNFAAGAU-LEAZDLGRSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256552289 1106441185 /nfs/dbraw/zinc/44/11/85/1106441185.db2.gz BDKPCHZNFAAGAU-LEAZDLGRSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552289 1106441188 /nfs/dbraw/zinc/44/11/88/1106441188.db2.gz BDKPCHZNFAAGAU-LEAZDLGRSA-N 2 2 314.473 3.008 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256552289 1106441192 /nfs/dbraw/zinc/44/11/92/1106441192.db2.gz BDKPCHZNFAAGAU-LEAZDLGRSA-N 2 2 314.473 3.008 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001256576624 1106449223 /nfs/dbraw/zinc/44/92/23/1106449223.db2.gz OBTBNCJAVADWKX-QGZVFWFLSA-N 2 2 314.473 3.454 20 0 DGADLP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001256576624 1106449225 /nfs/dbraw/zinc/44/92/25/1106449225.db2.gz OBTBNCJAVADWKX-QGZVFWFLSA-N 2 2 314.473 3.454 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001256721867 1106473001 /nfs/dbraw/zinc/47/30/01/1106473001.db2.gz XOVJTYLYQCRPNM-YLJYHZDGSA-N 2 2 309.457 3.439 20 0 DGADLP c1ccc([C@@H]2C[C@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001256787578 1106483019 /nfs/dbraw/zinc/48/30/19/1106483019.db2.gz SBRSZSSNDTWOLB-MOPGFXCFSA-N 2 2 302.462 3.372 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256818659 1106490328 /nfs/dbraw/zinc/49/03/28/1106490328.db2.gz XTDOKDHBYCZDDO-MOPGFXCFSA-N 2 2 302.462 3.323 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256818659 1106490332 /nfs/dbraw/zinc/49/03/32/1106490332.db2.gz XTDOKDHBYCZDDO-MOPGFXCFSA-N 2 2 302.462 3.323 20 0 DGADLP CCC1CCC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001256871506 1106501809 /nfs/dbraw/zinc/50/18/09/1106501809.db2.gz QRVBWKNLZVUGHH-UHFFFAOYSA-N 2 2 316.493 3.263 20 0 DGADLP CCC1CCC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001256871506 1106501812 /nfs/dbraw/zinc/50/18/12/1106501812.db2.gz QRVBWKNLZVUGHH-UHFFFAOYSA-N 2 2 316.493 3.263 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001256909997 1106509554 /nfs/dbraw/zinc/50/95/54/1106509554.db2.gz WGINUHQUNNTMKA-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP Cc1cccc(C2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001256909997 1106509559 /nfs/dbraw/zinc/50/95/59/1106509559.db2.gz WGINUHQUNNTMKA-QGZVFWFLSA-N 2 2 313.489 3.418 20 0 DGADLP COc1cccnc1[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001257213108 1106552444 /nfs/dbraw/zinc/55/24/44/1106552444.db2.gz GSOZQZTYERLGFL-QGZVFWFLSA-N 2 2 303.450 3.004 20 0 DGADLP Cc1cccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c1C ZINC001257218857 1106553647 /nfs/dbraw/zinc/55/36/47/1106553647.db2.gz ZIIDKRDQDXYSQH-UHFFFAOYSA-N 2 2 315.505 3.298 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001257222194 1106554100 /nfs/dbraw/zinc/55/41/00/1106554100.db2.gz WKTDPPIMNSBEQM-RBUKOAKNSA-N 3 2 307.526 3.198 20 0 DGADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001257222194 1106554103 /nfs/dbraw/zinc/55/41/03/1106554103.db2.gz WKTDPPIMNSBEQM-RBUKOAKNSA-N 3 2 307.526 3.198 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001257222194 1106554107 /nfs/dbraw/zinc/55/41/07/1106554107.db2.gz WKTDPPIMNSBEQM-RBUKOAKNSA-N 3 2 307.526 3.198 20 0 DGADLP CC(C)[NH+]1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)CC1 ZINC001257222194 1106554109 /nfs/dbraw/zinc/55/41/09/1106554109.db2.gz WKTDPPIMNSBEQM-RBUKOAKNSA-N 3 2 307.526 3.198 20 0 DGADLP Cc1cc(F)ccc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257224252 1106554536 /nfs/dbraw/zinc/55/45/36/1106554536.db2.gz VHBFDEPKQNQONO-UHFFFAOYSA-N 2 2 319.468 3.129 20 0 DGADLP CCC[C@@H](CC)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257260618 1106558211 /nfs/dbraw/zinc/55/82/11/1106558211.db2.gz QVEYRYXZWGYPIS-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CCC[C@@H](CC)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257260618 1106558215 /nfs/dbraw/zinc/55/82/15/1106558215.db2.gz QVEYRYXZWGYPIS-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CCC[C@@H](CC)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257260618 1106558217 /nfs/dbraw/zinc/55/82/17/1106558217.db2.gz QVEYRYXZWGYPIS-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CCC[C@@H](CC)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257260618 1106558220 /nfs/dbraw/zinc/55/82/20/1106558220.db2.gz QVEYRYXZWGYPIS-CEXWTWQISA-N 2 2 301.478 3.414 20 0 DGADLP CCC(CC)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001257291481 1106562123 /nfs/dbraw/zinc/56/21/23/1106562123.db2.gz DSOXLJQKCKLIES-UHFFFAOYSA-N 2 2 318.461 3.216 20 0 DGADLP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001257470768 1106594867 /nfs/dbraw/zinc/59/48/67/1106594867.db2.gz LUBNDMGZLVFYHF-JYBIWHBTSA-N 2 2 317.521 3.393 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC001258002964 1106656155 /nfs/dbraw/zinc/65/61/55/1106656155.db2.gz QJSKWQQCMMYNRS-KRWDZBQOSA-N 2 2 306.425 3.359 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258008206 1106657408 /nfs/dbraw/zinc/65/74/08/1106657408.db2.gz KODKZULAHPKEIX-UHFFFAOYSA-N 3 2 309.542 3.349 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(OC3CCC3)ccn2)CC1 ZINC001258008322 1106657465 /nfs/dbraw/zinc/65/74/65/1106657465.db2.gz NCACRNKIVFYJJI-UHFFFAOYSA-N 2 2 317.477 3.223 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](C1CCCCCCC1)C2 ZINC001258239793 1106704162 /nfs/dbraw/zinc/70/41/62/1106704162.db2.gz KWHHDEMVBMSZSY-UHFFFAOYSA-N 2 2 316.493 3.407 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](C1CCCCCCC1)C2 ZINC001258239793 1106704168 /nfs/dbraw/zinc/70/41/68/1106704168.db2.gz KWHHDEMVBMSZSY-UHFFFAOYSA-N 2 2 316.493 3.407 20 0 DGADLP CC1(C)CCC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284272 1106708240 /nfs/dbraw/zinc/70/82/40/1106708240.db2.gz BTRGASTXLIDRSL-OTWHNJEPSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284272 1106708245 /nfs/dbraw/zinc/70/82/45/1106708245.db2.gz BTRGASTXLIDRSL-OTWHNJEPSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284272 1106708249 /nfs/dbraw/zinc/70/82/49/1106708249.db2.gz BTRGASTXLIDRSL-OTWHNJEPSA-N 2 2 313.489 3.414 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258284272 1106708255 /nfs/dbraw/zinc/70/82/55/1106708255.db2.gz BTRGASTXLIDRSL-OTWHNJEPSA-N 2 2 313.489 3.414 20 0 DGADLP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316898622 1106743443 /nfs/dbraw/zinc/74/34/43/1106743443.db2.gz UTEMOCHDQHRNLH-CQSZACIVSA-N 2 2 319.493 3.495 20 0 DGADLP CC[C@@H](C)C[N@@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316898622 1106743456 /nfs/dbraw/zinc/74/34/56/1106743456.db2.gz UTEMOCHDQHRNLH-CQSZACIVSA-N 2 2 319.493 3.495 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258526212 1106796482 /nfs/dbraw/zinc/79/64/82/1106796482.db2.gz ZBQOHMPWNFCANQ-UHFFFAOYSA-N 2 2 324.509 3.114 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258526212 1106796493 /nfs/dbraw/zinc/79/64/93/1106796493.db2.gz ZBQOHMPWNFCANQ-UHFFFAOYSA-N 2 2 324.509 3.114 20 0 DGADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258535911 1106806502 /nfs/dbraw/zinc/80/65/02/1106806502.db2.gz RBICMXDYXDDSCR-INIZCTEOSA-N 2 2 321.896 3.381 20 0 DGADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258535911 1106806514 /nfs/dbraw/zinc/80/65/14/1106806514.db2.gz RBICMXDYXDDSCR-INIZCTEOSA-N 2 2 321.896 3.381 20 0 DGADLP C[C@@H](Cc1cccnc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258632980 1106870286 /nfs/dbraw/zinc/87/02/86/1106870286.db2.gz DVXFKAQNZLDQQH-INIZCTEOSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@@H](Cc1cccnc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258632980 1106870300 /nfs/dbraw/zinc/87/03/00/1106870300.db2.gz DVXFKAQNZLDQQH-INIZCTEOSA-N 2 2 306.413 3.330 20 0 DGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258741615 1106944512 /nfs/dbraw/zinc/94/45/12/1106944512.db2.gz NADPOPYSVVPXHU-YOEHRIQHSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258741615 1106944524 /nfs/dbraw/zinc/94/45/24/1106944524.db2.gz NADPOPYSVVPXHU-YOEHRIQHSA-N 2 2 322.880 3.114 20 0 DGADLP CCCC[C@H](CCC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258756442 1106956360 /nfs/dbraw/zinc/95/63/60/1106956360.db2.gz POZVDSOGKQYIIX-FHWLQOOXSA-N 2 2 303.494 3.147 20 0 DGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC001258771767 1106968156 /nfs/dbraw/zinc/96/81/56/1106968156.db2.gz TZRSLUAHMQJXQW-SFHVURJKSA-N 3 2 319.537 3.271 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)c(C)[nH+]1 ZINC001317083547 1106977606 /nfs/dbraw/zinc/97/76/06/1106977606.db2.gz YAPSEESBLWPGDY-WKILWMFISA-N 2 2 317.477 3.293 20 0 DGADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824162 1107008638 /nfs/dbraw/zinc/00/86/38/1107008638.db2.gz PRTBKHWFYGORKQ-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824162 1107008651 /nfs/dbraw/zinc/00/86/51/1107008651.db2.gz PRTBKHWFYGORKQ-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824162 1107008662 /nfs/dbraw/zinc/00/86/62/1107008662.db2.gz PRTBKHWFYGORKQ-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001258824162 1107008676 /nfs/dbraw/zinc/00/86/76/1107008676.db2.gz PRTBKHWFYGORKQ-LMCOJAPRSA-N 2 2 313.489 3.414 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001258880218 1107033747 /nfs/dbraw/zinc/03/37/47/1107033747.db2.gz AJYONERUFFYBRW-IAGOWNOFSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258895388 1107044332 /nfs/dbraw/zinc/04/43/32/1107044332.db2.gz AWOQKPBQEWHMSM-MRXNPFEDSA-N 2 2 304.478 3.431 20 0 DGADLP COc1ccccc1C[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258895388 1107044344 /nfs/dbraw/zinc/04/43/44/1107044344.db2.gz AWOQKPBQEWHMSM-MRXNPFEDSA-N 2 2 304.478 3.431 20 0 DGADLP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(Cl)cc1Br ZINC001261370202 1107420380 /nfs/dbraw/zinc/42/03/80/1107420380.db2.gz BUKQITBQCCSNEA-SECBINFHSA-N 2 2 305.647 3.190 20 0 DGADLP C(c1noc(C2CCCCC2)n1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492470 1107446972 /nfs/dbraw/zinc/44/69/72/1107446972.db2.gz GJCRDZCJXSYSOQ-UHFFFAOYSA-N 2 2 318.465 3.083 20 0 DGADLP C(c1noc(C2CCCCC2)n1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492470 1107446979 /nfs/dbraw/zinc/44/69/79/1107446979.db2.gz GJCRDZCJXSYSOQ-UHFFFAOYSA-N 2 2 318.465 3.083 20 0 DGADLP CC1(C)C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919898 1107462883 /nfs/dbraw/zinc/46/28/83/1107462883.db2.gz CGXNPKAPBNNUIA-GOSISDBHSA-N 2 2 316.489 3.398 20 0 DGADLP CC1(C)C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919898 1107462890 /nfs/dbraw/zinc/46/28/90/1107462890.db2.gz CGXNPKAPBNNUIA-GOSISDBHSA-N 2 2 316.489 3.398 20 0 DGADLP CC1(C)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919898 1107462902 /nfs/dbraw/zinc/46/29/02/1107462902.db2.gz CGXNPKAPBNNUIA-GOSISDBHSA-N 2 2 316.489 3.398 20 0 DGADLP CC1(C)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC001321919898 1107462906 /nfs/dbraw/zinc/46/29/06/1107462906.db2.gz CGXNPKAPBNNUIA-GOSISDBHSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(C)[nH+]1 ZINC001262222692 1107653881 /nfs/dbraw/zinc/65/38/81/1107653881.db2.gz ZJTALPRWKULLFV-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c(C)[nH+]1 ZINC001262222692 1107653890 /nfs/dbraw/zinc/65/38/90/1107653890.db2.gz ZJTALPRWKULLFV-UHFFFAOYSA-N 2 2 312.461 3.043 20 0 DGADLP CCOc1ncccc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001262353657 1107684998 /nfs/dbraw/zinc/68/49/98/1107684998.db2.gz HFRXOYKUPPQXPI-UHFFFAOYSA-N 2 2 305.466 3.080 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)CCCCC3CC[NH2+]CC3)cc2[nH+]1 ZINC001263070480 1107929981 /nfs/dbraw/zinc/92/99/81/1107929981.db2.gz XNQQKZLLCISVSA-UHFFFAOYSA-N 2 2 314.433 3.370 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379631503 1108034493 /nfs/dbraw/zinc/03/44/93/1108034493.db2.gz RMARULNIZYMVAK-YZGWKJHDSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379631503 1108034507 /nfs/dbraw/zinc/03/45/07/1108034507.db2.gz RMARULNIZYMVAK-YZGWKJHDSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631503 1108034523 /nfs/dbraw/zinc/03/45/23/1108034523.db2.gz RMARULNIZYMVAK-YZGWKJHDSA-N 3 2 315.505 3.113 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000379631503 1108034538 /nfs/dbraw/zinc/03/45/38/1108034538.db2.gz RMARULNIZYMVAK-YZGWKJHDSA-N 3 2 315.505 3.113 20 0 DGADLP CCCCS[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318500429 1108061816 /nfs/dbraw/zinc/06/18/16/1108061816.db2.gz DVPHIMYWJZFPGW-LBPRGKRZSA-N 2 2 318.446 3.436 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)c1cccc(F)c1 ZINC001318764206 1108189165 /nfs/dbraw/zinc/18/91/65/1108189165.db2.gz TVONTDAINXJYHE-GFCCVEGCSA-N 2 2 324.359 3.457 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(C)c(C)c1 ZINC001318833209 1108211284 /nfs/dbraw/zinc/21/12/84/1108211284.db2.gz OPDZIOSLMDPVSI-UHFFFAOYSA-N 2 2 320.396 3.374 20 0 DGADLP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001319539662 1108514448 /nfs/dbraw/zinc/51/44/48/1108514448.db2.gz HFBDHZWTLQSSAP-HZPDHXFCSA-N 2 2 322.497 3.097 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000390475137 1108673719 /nfs/dbraw/zinc/67/37/19/1108673719.db2.gz ISYSPWRFMWFRRQ-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001319832926 1108656679 /nfs/dbraw/zinc/65/66/79/1108656679.db2.gz FNIPXUJZENNZBP-MDNKFWRPSA-N 2 2 315.505 3.284 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000390475137 1108673714 /nfs/dbraw/zinc/67/37/14/1108673714.db2.gz ISYSPWRFMWFRRQ-SNVBAGLBSA-N 2 2 303.269 3.071 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001307678088 1111326194 /nfs/dbraw/zinc/32/61/94/1111326194.db2.gz FFSWDFVOPSLIMD-IBGZPJMESA-N 2 2 307.397 3.004 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCCC[C@H]1C ZINC001307687203 1111327470 /nfs/dbraw/zinc/32/74/70/1111327470.db2.gz YJZLHNBBHNALFD-MISYRCLQSA-N 2 2 318.505 3.380 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H]1CCCC[C@H]1C ZINC001307687203 1111327472 /nfs/dbraw/zinc/32/74/72/1111327472.db2.gz YJZLHNBBHNALFD-MISYRCLQSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCCC[C@H]1C ZINC001307687203 1111327475 /nfs/dbraw/zinc/32/74/75/1111327475.db2.gz YJZLHNBBHNALFD-MISYRCLQSA-N 2 2 318.505 3.380 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[C@H]1C ZINC001307687203 1111327477 /nfs/dbraw/zinc/32/74/77/1111327477.db2.gz YJZLHNBBHNALFD-MISYRCLQSA-N 2 2 318.505 3.380 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822141 1111343617 /nfs/dbraw/zinc/34/36/17/1111343617.db2.gz BCLWNIVCGWPBKI-ROUUACIJSA-N 2 2 310.526 3.416 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1(CO)CCCC1 ZINC001307822141 1111343618 /nfs/dbraw/zinc/34/36/18/1111343618.db2.gz BCLWNIVCGWPBKI-ROUUACIJSA-N 2 2 310.526 3.416 20 0 DGADLP Cc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1Oc1cccnc1 ZINC001308183046 1111392204 /nfs/dbraw/zinc/39/22/04/1111392204.db2.gz BNOPQJROCMBPNZ-UHFFFAOYSA-N 2 2 311.429 3.368 20 0 DGADLP CC[C@@H](C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001308189121 1111392959 /nfs/dbraw/zinc/39/29/59/1111392959.db2.gz SFMUOYZRDCGFIY-KSZLIROESA-N 2 2 304.478 3.269 20 0 DGADLP CC[C@@H](C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001308189121 1111392965 /nfs/dbraw/zinc/39/29/65/1111392965.db2.gz SFMUOYZRDCGFIY-KSZLIROESA-N 2 2 304.478 3.269 20 0 DGADLP CCCc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC001308189507 1111393540 /nfs/dbraw/zinc/39/35/40/1111393540.db2.gz ZCIJKEFOPLWIGG-HUUCEWRRSA-N 2 2 310.507 3.290 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2C2CC2)C[C@H](C)O1 ZINC001308189436 1111393964 /nfs/dbraw/zinc/39/39/64/1111393964.db2.gz WGABYUFWWIBLHN-IYBDPMFKSA-N 2 2 302.462 3.153 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2C2CC2)C[C@H](C)O1 ZINC001308189436 1111393967 /nfs/dbraw/zinc/39/39/67/1111393967.db2.gz WGABYUFWWIBLHN-IYBDPMFKSA-N 2 2 302.462 3.153 20 0 DGADLP Cc1ccc(OC(F)F)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC001308219938 1111399976 /nfs/dbraw/zinc/39/99/76/1111399976.db2.gz XTLGTUHUHLHUIH-UHFFFAOYSA-N 2 2 309.360 3.363 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C2 ZINC001308292777 1111412100 /nfs/dbraw/zinc/41/21/00/1111412100.db2.gz DYXWAUZUDARUOQ-NVXWUHKLSA-N 2 2 302.462 3.017 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C2 ZINC001308292777 1111412102 /nfs/dbraw/zinc/41/21/02/1111412102.db2.gz DYXWAUZUDARUOQ-NVXWUHKLSA-N 2 2 302.462 3.017 20 0 DGADLP CCCn1cncc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308360706 1111421622 /nfs/dbraw/zinc/42/16/22/1111421622.db2.gz SJLILAICGCVNLH-OAHLLOKOSA-N 2 2 309.417 3.330 20 0 DGADLP C[NH+](C)CCCC1CC[NH+](Cc2c(Cl)ccnc2F)CC1 ZINC001308592777 1111448390 /nfs/dbraw/zinc/44/83/90/1111448390.db2.gz BNUYFDGXKOGEBA-UHFFFAOYSA-N 2 2 313.848 3.428 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1COc2ccccc2C1 ZINC001308741121 1111468452 /nfs/dbraw/zinc/46/84/52/1111468452.db2.gz GLKBAMPHBHFHFL-WDYCEAGBSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1COc2ccccc2C1 ZINC001308741121 1111468454 /nfs/dbraw/zinc/46/84/54/1111468454.db2.gz GLKBAMPHBHFHFL-WDYCEAGBSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1COc2ccccc2C1 ZINC001308741116 1111468508 /nfs/dbraw/zinc/46/85/08/1111468508.db2.gz GLKBAMPHBHFHFL-IEZWGBDMSA-N 2 2 314.473 3.233 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1COc2ccccc2C1 ZINC001308741116 1111468511 /nfs/dbraw/zinc/46/85/11/1111468511.db2.gz GLKBAMPHBHFHFL-IEZWGBDMSA-N 2 2 314.473 3.233 20 0 DGADLP CC(C)Cn1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001308883320 1111488470 /nfs/dbraw/zinc/48/84/70/1111488470.db2.gz VXHZSPJDEACWSK-FUHWJXTLSA-N 2 2 306.498 3.091 20 0 DGADLP CC(C)Cn1nccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001308883320 1111488473 /nfs/dbraw/zinc/48/84/73/1111488473.db2.gz VXHZSPJDEACWSK-FUHWJXTLSA-N 2 2 306.498 3.091 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)c(C)[nH+]1 ZINC001310835575 1111572962 /nfs/dbraw/zinc/57/29/62/1111572962.db2.gz WGNYLGGKIDIQSY-CQSZACIVSA-N 2 2 304.438 3.003 20 0 DGADLP C[C@@H](C[NH2+]Cc1cscc1Br)Cn1cc[nH+]c1 ZINC000285419024 546397264 /nfs/dbraw/zinc/39/72/64/546397264.db2.gz JODPNSUJLAWHGO-JTQLQIEISA-N 2 2 314.252 3.133 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456324 214165167 /nfs/dbraw/zinc/16/51/67/214165167.db2.gz ITNDMUFCZAYYOH-CXAGYDPISA-N 2 2 324.415 3.043 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCCO1 ZINC000278456324 214165169 /nfs/dbraw/zinc/16/51/69/214165169.db2.gz ITNDMUFCZAYYOH-CXAGYDPISA-N 2 2 324.415 3.043 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc2c(c1)CCCC2 ZINC000320924665 231197925 /nfs/dbraw/zinc/19/79/25/231197925.db2.gz XLPBRPMWRACIJQ-AWEZNQCLSA-N 2 2 312.461 3.216 20 0 DGADLP CCc1ccccc1CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000444663798 529577258 /nfs/dbraw/zinc/57/72/58/529577258.db2.gz PHNWXLVJMLGDOC-QGZVFWFLSA-N 2 2 311.473 3.480 20 0 DGADLP CCc1ccccc1CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000444663798 529577261 /nfs/dbraw/zinc/57/72/61/529577261.db2.gz PHNWXLVJMLGDOC-QGZVFWFLSA-N 2 2 311.473 3.480 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000415065235 529611606 /nfs/dbraw/zinc/61/16/06/529611606.db2.gz MLSATSURURBUSW-SFHVURJKSA-N 2 2 322.456 3.408 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000415071530 529617066 /nfs/dbraw/zinc/61/70/66/529617066.db2.gz WLJBFQCKMLZNID-MRXNPFEDSA-N 2 2 308.347 3.456 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000090522962 185300195 /nfs/dbraw/zinc/30/01/95/185300195.db2.gz BESDKKJLSKQPSG-OIISXLGYSA-N 2 2 306.450 3.007 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000092645194 185331048 /nfs/dbraw/zinc/33/10/48/185331048.db2.gz KCLVYVAKVVUUOO-UHFFFAOYSA-N 2 2 313.445 3.122 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000092645194 185331049 /nfs/dbraw/zinc/33/10/49/185331049.db2.gz KCLVYVAKVVUUOO-UHFFFAOYSA-N 2 2 313.445 3.122 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282187801 282249575 /nfs/dbraw/zinc/24/95/75/282249575.db2.gz NFFRUVMWKMEVSC-MSOLQXFVSA-N 2 2 302.462 3.228 20 0 DGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1[nH+]c2ccc(F)cc2n1C ZINC000431418487 529930574 /nfs/dbraw/zinc/93/05/74/529930574.db2.gz ZBCRPHKEUSQUCW-AWEZNQCLSA-N 2 2 304.413 3.023 20 0 DGADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1[nH+]c2ccc(F)cc2n1C ZINC000431418487 529930576 /nfs/dbraw/zinc/93/05/76/529930576.db2.gz ZBCRPHKEUSQUCW-AWEZNQCLSA-N 2 2 304.413 3.023 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930843 529931489 /nfs/dbraw/zinc/93/14/89/529931489.db2.gz YYBNLKQVWQVPLW-IAGOWNOFSA-N 2 2 316.445 3.272 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930843 529931491 /nfs/dbraw/zinc/93/14/91/529931491.db2.gz YYBNLKQVWQVPLW-IAGOWNOFSA-N 2 2 316.445 3.272 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930843 529931492 /nfs/dbraw/zinc/93/14/92/529931492.db2.gz YYBNLKQVWQVPLW-IAGOWNOFSA-N 2 2 316.445 3.272 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292930843 529931494 /nfs/dbraw/zinc/93/14/94/529931494.db2.gz YYBNLKQVWQVPLW-IAGOWNOFSA-N 2 2 316.445 3.272 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000430929004 529956103 /nfs/dbraw/zinc/95/61/03/529956103.db2.gz MODNIQNVKLKSPJ-UHFFFAOYSA-N 2 2 320.440 3.185 20 0 DGADLP C[NH2+]CCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423197666 529971486 /nfs/dbraw/zinc/97/14/86/529971486.db2.gz ALHSOFUIASUPGC-OAHLLOKOSA-N 2 2 323.234 3.331 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430645838 529988353 /nfs/dbraw/zinc/98/83/53/529988353.db2.gz OSAHCWROKWPRNI-LBPRGKRZSA-N 2 2 317.260 3.304 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000430645838 529988354 /nfs/dbraw/zinc/98/83/54/529988354.db2.gz OSAHCWROKWPRNI-LBPRGKRZSA-N 2 2 317.260 3.304 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000415029777 530036907 /nfs/dbraw/zinc/03/69/07/530036907.db2.gz BNDQSXBXVLZMNN-KRWDZBQOSA-N 2 2 310.445 3.080 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272687102 210092932 /nfs/dbraw/zinc/09/29/32/210092932.db2.gz PKYRZLAJLYPMRM-UHFFFAOYSA-N 2 2 316.367 3.202 20 0 DGADLP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130263022 432019173 /nfs/dbraw/zinc/01/91/73/432019173.db2.gz RTZXFGOYGNXTMA-APWZRJJASA-N 2 2 321.424 3.127 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1OC ZINC000279793926 215152033 /nfs/dbraw/zinc/15/20/33/215152033.db2.gz DAPLQSLJFQXJCB-ZIAGYGMSSA-N 2 2 308.466 3.126 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130380498 432022814 /nfs/dbraw/zinc/02/28/14/432022814.db2.gz GPTWOBASWJRKFC-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000130380498 432022817 /nfs/dbraw/zinc/02/28/17/432022817.db2.gz GPTWOBASWJRKFC-UHFFFAOYSA-N 2 2 301.434 3.291 20 0 DGADLP CC(C)n1nccc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000279947263 215262204 /nfs/dbraw/zinc/26/22/04/215262204.db2.gz OHKINXPUAKDDCU-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP CC(C)n1nccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000279947263 215262207 /nfs/dbraw/zinc/26/22/07/215262207.db2.gz OHKINXPUAKDDCU-UHFFFAOYSA-N 2 2 300.450 3.076 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130393711 432023049 /nfs/dbraw/zinc/02/30/49/432023049.db2.gz AWATXLZVMSFOJF-CQSZACIVSA-N 2 2 311.389 3.016 20 0 DGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130393711 432023052 /nfs/dbraw/zinc/02/30/52/432023052.db2.gz AWATXLZVMSFOJF-CQSZACIVSA-N 2 2 311.389 3.016 20 0 DGADLP COc1cc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(F)cn1 ZINC000287085857 219303059 /nfs/dbraw/zinc/30/30/59/219303059.db2.gz VSGLZLOAMGLUCV-NSHDSACASA-N 2 2 309.429 3.189 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000130408213 432024041 /nfs/dbraw/zinc/02/40/41/432024041.db2.gz VVRCCJHGRMRXSI-PQUAAJSLSA-N 2 2 305.466 3.024 20 0 DGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000130408213 432024044 /nfs/dbraw/zinc/02/40/44/432024044.db2.gz VVRCCJHGRMRXSI-PQUAAJSLSA-N 2 2 305.466 3.024 20 0 DGADLP CCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000138251736 186015602 /nfs/dbraw/zinc/01/56/02/186015602.db2.gz KOJVWHLAALOCKA-ZDUSSCGKSA-N 2 2 304.331 3.418 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000138251736 186015603 /nfs/dbraw/zinc/01/56/03/186015603.db2.gz KOJVWHLAALOCKA-ZDUSSCGKSA-N 2 2 304.331 3.418 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000155757955 186109976 /nfs/dbraw/zinc/10/99/76/186109976.db2.gz FVUDWNRHZQTFRE-AWEZNQCLSA-N 2 2 311.307 3.059 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1 ZINC000155856791 186118120 /nfs/dbraw/zinc/11/81/20/186118120.db2.gz VXBQQJVQRCPGCM-WBVHZDCISA-N 3 2 314.477 3.055 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1 ZINC000155856791 186118122 /nfs/dbraw/zinc/11/81/22/186118122.db2.gz VXBQQJVQRCPGCM-WBVHZDCISA-N 3 2 314.477 3.055 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000268743235 186374891 /nfs/dbraw/zinc/37/48/91/186374891.db2.gz GTGLQBXILRKZHR-FASAQXTFSA-N 2 2 300.446 3.219 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000268743235 186374892 /nfs/dbraw/zinc/37/48/92/186374892.db2.gz GTGLQBXILRKZHR-FASAQXTFSA-N 2 2 300.446 3.219 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268744349 186375687 /nfs/dbraw/zinc/37/56/87/186375687.db2.gz REFTYZCQLIMVBX-AZUAARDMSA-N 3 2 315.505 3.115 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268744349 186375689 /nfs/dbraw/zinc/37/56/89/186375689.db2.gz REFTYZCQLIMVBX-AZUAARDMSA-N 3 2 315.505 3.115 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750681 186378511 /nfs/dbraw/zinc/37/85/11/186378511.db2.gz JKVPDYZIYPTDGT-WQGACYEGSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000268750681 186378512 /nfs/dbraw/zinc/37/85/12/186378512.db2.gz JKVPDYZIYPTDGT-WQGACYEGSA-N 2 2 310.388 3.421 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Br)cs2)CC1 ZINC000277254693 213397344 /nfs/dbraw/zinc/39/73/44/213397344.db2.gz QLKDVAZXKUAKJD-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC000277254693 213397346 /nfs/dbraw/zinc/39/73/46/213397346.db2.gz QLKDVAZXKUAKJD-LBPRGKRZSA-N 2 2 317.296 3.427 20 0 DGADLP FC(F)Oc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000171941988 198011236 /nfs/dbraw/zinc/01/12/36/198011236.db2.gz FWJIIJRSBGGXEK-UHFFFAOYSA-N 2 2 307.344 3.322 20 0 DGADLP c1c(CC[NH2+][C@H]2CSCCc3ccccc32)[nH+]c2ccccn12 ZINC000130661995 432028729 /nfs/dbraw/zinc/02/87/29/432028729.db2.gz OTKUMDPHQQAHBF-SFHVURJKSA-N 2 2 323.465 3.497 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859031 191243481 /nfs/dbraw/zinc/24/34/81/191243481.db2.gz FGLNSYUMJLHIHT-CQSZACIVSA-N 2 2 300.368 3.479 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859031 191243485 /nfs/dbraw/zinc/24/34/85/191243485.db2.gz FGLNSYUMJLHIHT-CQSZACIVSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859031 191243487 /nfs/dbraw/zinc/24/34/87/191243487.db2.gz FGLNSYUMJLHIHT-CQSZACIVSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000072859031 191243490 /nfs/dbraw/zinc/24/34/90/191243490.db2.gz FGLNSYUMJLHIHT-CQSZACIVSA-N 2 2 300.368 3.479 20 0 DGADLP CCc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173619991 198233527 /nfs/dbraw/zinc/23/35/27/198233527.db2.gz IYENVRODRIUBKA-HNNXBMFYSA-N 2 2 317.477 3.038 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000173875535 198262601 /nfs/dbraw/zinc/26/26/01/198262601.db2.gz HJEGLAKRMJQOFP-INIZCTEOSA-N 2 2 306.425 3.142 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000173875535 198262603 /nfs/dbraw/zinc/26/26/03/198262603.db2.gz HJEGLAKRMJQOFP-INIZCTEOSA-N 2 2 306.425 3.142 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173959868 198272778 /nfs/dbraw/zinc/27/27/78/198272778.db2.gz HNYLSQLDAMDDAW-INIZCTEOSA-N 2 2 312.461 3.244 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173959868 198272780 /nfs/dbraw/zinc/27/27/80/198272780.db2.gz HNYLSQLDAMDDAW-INIZCTEOSA-N 2 2 312.461 3.244 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173959868 198272782 /nfs/dbraw/zinc/27/27/82/198272782.db2.gz HNYLSQLDAMDDAW-INIZCTEOSA-N 2 2 312.461 3.244 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173959868 198272783 /nfs/dbraw/zinc/27/27/83/198272783.db2.gz HNYLSQLDAMDDAW-INIZCTEOSA-N 2 2 312.461 3.244 20 0 DGADLP CC[N@H+](CCc1ccncc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394109 198330256 /nfs/dbraw/zinc/33/02/56/198330256.db2.gz NGCIDSRVUWFLCA-UHFFFAOYSA-N 2 2 324.472 3.258 20 0 DGADLP CC[N@@H+](CCc1ccncc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394109 198330259 /nfs/dbraw/zinc/33/02/59/198330259.db2.gz NGCIDSRVUWFLCA-UHFFFAOYSA-N 2 2 324.472 3.258 20 0 DGADLP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163586098 432035297 /nfs/dbraw/zinc/03/52/97/432035297.db2.gz HXJFXNHGVOVPPT-CQSZACIVSA-N 2 2 315.417 3.255 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(OC)c1 ZINC000163847528 432043362 /nfs/dbraw/zinc/04/33/62/432043362.db2.gz PINIHNWTNXHYOI-CQSZACIVSA-N 2 2 315.417 3.252 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637297 283094576 /nfs/dbraw/zinc/09/45/76/283094576.db2.gz SUWNABPKBFQDRA-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637297 283094578 /nfs/dbraw/zinc/09/45/78/283094578.db2.gz SUWNABPKBFQDRA-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637297 283094580 /nfs/dbraw/zinc/09/45/80/283094580.db2.gz SUWNABPKBFQDRA-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccnc(Cl)c2Cl)C1 ZINC000291637297 283094582 /nfs/dbraw/zinc/09/45/82/283094582.db2.gz SUWNABPKBFQDRA-WCQYABFASA-N 2 2 314.260 3.305 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000179177757 432048108 /nfs/dbraw/zinc/04/81/08/432048108.db2.gz LRBIUUWXGDUGQD-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000179177757 432048111 /nfs/dbraw/zinc/04/81/11/432048111.db2.gz LRBIUUWXGDUGQD-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000179177757 432048113 /nfs/dbraw/zinc/04/81/13/432048113.db2.gz LRBIUUWXGDUGQD-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000179177757 432048116 /nfs/dbraw/zinc/04/81/16/432048116.db2.gz LRBIUUWXGDUGQD-ZBFHGGJFSA-N 2 2 305.853 3.184 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCC[N@@H+]1CCc2sccc2C1 ZINC000179285061 432052329 /nfs/dbraw/zinc/05/23/29/432052329.db2.gz VUQVYLCUSABJSO-UHFFFAOYSA-N 2 2 312.442 3.105 20 0 DGADLP Cn1c2ccccc2[nH+]c1NCC[N@H+]1CCc2sccc2C1 ZINC000179285061 432052331 /nfs/dbraw/zinc/05/23/31/432052331.db2.gz VUQVYLCUSABJSO-UHFFFAOYSA-N 2 2 312.442 3.105 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000177351840 198709048 /nfs/dbraw/zinc/70/90/48/198709048.db2.gz CEULWYPFDXWOKZ-CABCVRRESA-N 2 2 322.880 3.492 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000165635116 432056106 /nfs/dbraw/zinc/05/61/06/432056106.db2.gz DHQVTHNACQVNQQ-HNNXBMFYSA-N 3 2 309.417 3.118 20 0 DGADLP CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179428597 432058199 /nfs/dbraw/zinc/05/81/99/432058199.db2.gz ZNXUYTMGGOUCKR-UHFFFAOYSA-N 2 2 317.433 3.326 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000237019798 202124581 /nfs/dbraw/zinc/12/45/81/202124581.db2.gz OBTADVCKKZJWJN-UHFFFAOYSA-N 2 2 314.477 3.409 20 0 DGADLP Clc1ccccc1OC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000133368726 432061832 /nfs/dbraw/zinc/06/18/32/432061832.db2.gz WOMNDOVZVZWVPJ-OAHLLOKOSA-N 2 2 319.836 3.328 20 0 DGADLP Clc1ccccc1OC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000133368726 432061836 /nfs/dbraw/zinc/06/18/36/432061836.db2.gz WOMNDOVZVZWVPJ-OAHLLOKOSA-N 2 2 319.836 3.328 20 0 DGADLP CC[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000166775788 432062909 /nfs/dbraw/zinc/06/29/09/432062909.db2.gz JRZAKNBCHBQDKO-HNNXBMFYSA-N 2 2 324.896 3.303 20 0 DGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000166900605 432063019 /nfs/dbraw/zinc/06/30/19/432063019.db2.gz LHDFXOGVQDSQOK-MEBBXXQBSA-N 2 2 300.406 3.142 20 0 DGADLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000237233943 202198355 /nfs/dbraw/zinc/19/83/55/202198355.db2.gz NJZVASQCMSJIAA-UHFFFAOYSA-N 2 2 306.450 3.056 20 0 DGADLP Cc1[nH+]cc(CN2CCC[C@@H]2C[NH+]2CCCC2)n1-c1ccccc1 ZINC000179644863 432065879 /nfs/dbraw/zinc/06/58/79/432065879.db2.gz CWIKBRSLEDKAHA-LJQANCHMSA-N 2 2 324.472 3.241 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000167855057 432066466 /nfs/dbraw/zinc/06/64/66/432066466.db2.gz FXMXCFZGKUQRPR-AOIWGVFYSA-N 3 2 317.521 3.436 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000167855057 432066467 /nfs/dbraw/zinc/06/64/67/432066467.db2.gz FXMXCFZGKUQRPR-AOIWGVFYSA-N 3 2 317.521 3.436 20 0 DGADLP C[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CCC[NH+](C)C1 ZINC000179733742 432068891 /nfs/dbraw/zinc/06/88/91/432068891.db2.gz MFMKATCLROPOJC-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CCC[NH+](C)C1 ZINC000179733742 432068894 /nfs/dbraw/zinc/06/88/94/432068894.db2.gz MFMKATCLROPOJC-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CCC[N@H+](C)C1 ZINC000179733742 432068895 /nfs/dbraw/zinc/06/88/95/432068895.db2.gz MFMKATCLROPOJC-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C[C@H]1CCC[N@@H+](C)C1 ZINC000179733742 432068898 /nfs/dbraw/zinc/06/88/98/432068898.db2.gz MFMKATCLROPOJC-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179195513 198997266 /nfs/dbraw/zinc/99/72/66/198997266.db2.gz BOZOAHVNCMVNPN-SNVBAGLBSA-N 2 2 318.284 3.042 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000134067790 432073275 /nfs/dbraw/zinc/07/32/75/432073275.db2.gz BGDSMRZGTREMAN-RBUKOAKNSA-N 2 2 312.461 3.298 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000179632325 199067255 /nfs/dbraw/zinc/06/72/55/199067255.db2.gz IWNLEDHLLPUYOU-CQSZACIVSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000179632325 199067256 /nfs/dbraw/zinc/06/72/56/199067256.db2.gz IWNLEDHLLPUYOU-CQSZACIVSA-N 2 2 311.267 3.141 20 0 DGADLP COCC[C@H](C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000179992345 199103528 /nfs/dbraw/zinc/10/35/28/199103528.db2.gz PFIQQPLYNXAFJL-HNNXBMFYSA-N 2 2 305.466 3.054 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180230348 199133161 /nfs/dbraw/zinc/13/31/61/199133161.db2.gz OURYSXDPERKOFS-OAHLLOKOSA-N 2 2 321.896 3.324 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180230348 199133162 /nfs/dbraw/zinc/13/31/62/199133162.db2.gz OURYSXDPERKOFS-OAHLLOKOSA-N 2 2 321.896 3.324 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180433853 199158061 /nfs/dbraw/zinc/15/80/61/199158061.db2.gz ZYZSXAKAGOFAMC-OAHLLOKOSA-N 2 2 300.402 3.455 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180433853 199158063 /nfs/dbraw/zinc/15/80/63/199158063.db2.gz ZYZSXAKAGOFAMC-OAHLLOKOSA-N 2 2 300.402 3.455 20 0 DGADLP COc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000170643659 432075257 /nfs/dbraw/zinc/07/52/57/432075257.db2.gz NTYUSACBHDJDLH-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP COc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000170643659 432075259 /nfs/dbraw/zinc/07/52/59/432075259.db2.gz NTYUSACBHDJDLH-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](COCc3ccccc3)C2)[nH+]1 ZINC000180471861 199162756 /nfs/dbraw/zinc/16/27/56/199162756.db2.gz OFHNHCNBPYWZOA-GOSISDBHSA-N 2 2 321.424 3.373 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)[nH+]1 ZINC000180471861 199162758 /nfs/dbraw/zinc/16/27/58/199162758.db2.gz OFHNHCNBPYWZOA-GOSISDBHSA-N 2 2 321.424 3.373 20 0 DGADLP CC(C)c1nc(NCC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000180043507 432077352 /nfs/dbraw/zinc/07/73/52/432077352.db2.gz CTSDXWPBDRWGHU-UHFFFAOYSA-N 2 2 311.433 3.324 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2csnn2)CC1 ZINC000180182777 432079926 /nfs/dbraw/zinc/07/99/26/432079926.db2.gz XPBNHOMRFFRINH-CQSZACIVSA-N 2 2 308.495 3.015 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2csnn2)CC1 ZINC000180182777 432079928 /nfs/dbraw/zinc/07/99/28/432079928.db2.gz XPBNHOMRFFRINH-CQSZACIVSA-N 2 2 308.495 3.015 20 0 DGADLP CC[C@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000134604371 432080652 /nfs/dbraw/zinc/08/06/52/432080652.db2.gz JPLIWGOOZSDZOY-GOSISDBHSA-N 2 2 311.385 3.345 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186320704 199942852 /nfs/dbraw/zinc/94/28/52/199942852.db2.gz UCOJQVAXXFJKNY-YJLNNSPDSA-N 2 2 312.461 3.079 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]CCC[NH2+]C3CC3)cs2)cc1 ZINC000415069207 237052262 /nfs/dbraw/zinc/05/22/62/237052262.db2.gz OIOPZGAAGMUDOL-UHFFFAOYSA-N 2 2 301.459 3.350 20 0 DGADLP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000415027083 237016810 /nfs/dbraw/zinc/01/68/10/237016810.db2.gz VYEZEZCUPRCJKH-AWEZNQCLSA-N 3 2 309.885 3.021 20 0 DGADLP Clc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)s1 ZINC000415096145 237075892 /nfs/dbraw/zinc/07/58/92/237075892.db2.gz OZJLHZXVSQJUJG-LBPRGKRZSA-N 2 2 322.861 3.147 20 0 DGADLP FC(F)(F)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000415080710 237061805 /nfs/dbraw/zinc/06/18/05/237061805.db2.gz JWDJQIHPBVZPLG-HBNTYKKESA-N 2 2 319.396 3.172 20 0 DGADLP FC(F)(F)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000415080709 237063335 /nfs/dbraw/zinc/06/33/35/237063335.db2.gz JWDJQIHPBVZPLG-GMTAPVOTSA-N 2 2 319.396 3.172 20 0 DGADLP Cc1ccc([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000415122226 237094602 /nfs/dbraw/zinc/09/46/02/237094602.db2.gz NXXSWFHPKFULPK-ZACQAIPSSA-N 2 2 318.461 3.353 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCS2 ZINC000187676990 200143383 /nfs/dbraw/zinc/14/33/83/200143383.db2.gz UUVJOODDYFGESH-MRXNPFEDSA-N 2 2 317.458 3.499 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167220 296002243 /nfs/dbraw/zinc/00/22/43/296002243.db2.gz DVEQMZIDCZMJKM-YOEHRIQHSA-N 2 2 322.880 3.019 20 0 DGADLP Cc1cccc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000134889549 432087699 /nfs/dbraw/zinc/08/76/99/432087699.db2.gz CCZYNPKOLQIYFM-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000134889549 432087700 /nfs/dbraw/zinc/08/77/00/432087700.db2.gz CCZYNPKOLQIYFM-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn21 ZINC000134889549 432087701 /nfs/dbraw/zinc/08/77/01/432087701.db2.gz CCZYNPKOLQIYFM-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn21 ZINC000134889549 432087702 /nfs/dbraw/zinc/08/77/02/432087702.db2.gz CCZYNPKOLQIYFM-APWZRJJASA-N 2 2 324.472 3.091 20 0 DGADLP Cc1cc([C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)c2cccnc2)ccc1F ZINC000423394067 237846097 /nfs/dbraw/zinc/84/60/97/237846097.db2.gz ZKNKZOUXCRKBPW-LJHODMEESA-N 2 2 313.420 3.349 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423181078 237829714 /nfs/dbraw/zinc/82/97/14/237829714.db2.gz FICJPBZSQGPUAR-CZUORRHYSA-N 2 2 315.486 3.445 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccn(C)n1 ZINC000414080244 299307198 /nfs/dbraw/zinc/30/71/98/299307198.db2.gz DAUJQTKFYOWIJH-ZQIUZPCESA-N 2 2 318.490 3.215 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccn(C)n1 ZINC000414080244 299307202 /nfs/dbraw/zinc/30/72/02/299307202.db2.gz DAUJQTKFYOWIJH-ZQIUZPCESA-N 2 2 318.490 3.215 20 0 DGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427888748 238004905 /nfs/dbraw/zinc/00/49/05/238004905.db2.gz DTTABYZHOVXQGB-QWHCGFSZSA-N 2 2 321.371 3.459 20 0 DGADLP c1ccc2oc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134900395 432089795 /nfs/dbraw/zinc/08/97/95/432089795.db2.gz IREDHNUPHRVICC-PBHICJAKSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000134900395 432089797 /nfs/dbraw/zinc/08/97/97/432089797.db2.gz IREDHNUPHRVICC-PBHICJAKSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000134900395 432089799 /nfs/dbraw/zinc/08/97/99/432089799.db2.gz IREDHNUPHRVICC-PBHICJAKSA-N 2 2 311.429 3.277 20 0 DGADLP c1ccc2oc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000134900395 432089800 /nfs/dbraw/zinc/08/98/00/432089800.db2.gz IREDHNUPHRVICC-PBHICJAKSA-N 2 2 311.429 3.277 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427698861 238001439 /nfs/dbraw/zinc/00/14/39/238001439.db2.gz UXOWTYXLRPORAH-IBGZPJMESA-N 2 2 304.478 3.394 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427698861 238001440 /nfs/dbraw/zinc/00/14/40/238001440.db2.gz UXOWTYXLRPORAH-IBGZPJMESA-N 2 2 304.478 3.394 20 0 DGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)F)c1 ZINC000427843037 238003654 /nfs/dbraw/zinc/00/36/54/238003654.db2.gz LQJVYMGCNQWBGF-AAEUAGOBSA-N 2 2 307.344 3.150 20 0 DGADLP Cc1cccc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000428667740 238028401 /nfs/dbraw/zinc/02/84/01/238028401.db2.gz OMSGWTLFCQHPAV-QGZVFWFLSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1cccc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000428667740 238028402 /nfs/dbraw/zinc/02/84/02/238028402.db2.gz OMSGWTLFCQHPAV-QGZVFWFLSA-N 2 2 313.470 3.420 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000428252361 238013393 /nfs/dbraw/zinc/01/33/93/238013393.db2.gz HHEFWAREWMPPCE-MRXNPFEDSA-N 2 2 305.466 3.414 20 0 DGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000428252361 238013394 /nfs/dbraw/zinc/01/33/94/238013394.db2.gz HHEFWAREWMPPCE-MRXNPFEDSA-N 2 2 305.466 3.414 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000429261206 238045305 /nfs/dbraw/zinc/04/53/05/238045305.db2.gz ZQTGUFWKHOAAHN-KRWDZBQOSA-N 2 2 319.468 3.212 20 0 DGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000429261206 238045306 /nfs/dbraw/zinc/04/53/06/238045306.db2.gz ZQTGUFWKHOAAHN-KRWDZBQOSA-N 2 2 319.468 3.212 20 0 DGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720101 238058815 /nfs/dbraw/zinc/05/88/15/238058815.db2.gz DOKTZIPYHDZMJH-PKOBYXMFSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429720101 238058816 /nfs/dbraw/zinc/05/88/16/238058816.db2.gz DOKTZIPYHDZMJH-PKOBYXMFSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429720101 238058817 /nfs/dbraw/zinc/05/88/17/238058817.db2.gz DOKTZIPYHDZMJH-PKOBYXMFSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429720101 238058819 /nfs/dbraw/zinc/05/88/19/238058819.db2.gz DOKTZIPYHDZMJH-PKOBYXMFSA-N 2 2 302.462 3.152 20 0 DGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430576460 238080518 /nfs/dbraw/zinc/08/05/18/238080518.db2.gz XIWVNIDVDYHHQO-ZIAGYGMSSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430576460 238080520 /nfs/dbraw/zinc/08/05/20/238080520.db2.gz XIWVNIDVDYHHQO-ZIAGYGMSSA-N 2 2 323.506 3.041 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000430598799 238081142 /nfs/dbraw/zinc/08/11/42/238081142.db2.gz UBKSHDVCYKRRQT-MRXNPFEDSA-N 2 2 305.809 3.212 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432787490 238136433 /nfs/dbraw/zinc/13/64/33/238136433.db2.gz GTETZFCNOJXXTL-CYBMUJFWSA-N 2 2 307.438 3.352 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000432787490 238136434 /nfs/dbraw/zinc/13/64/34/238136434.db2.gz GTETZFCNOJXXTL-CYBMUJFWSA-N 2 2 307.438 3.352 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000281281291 216208105 /nfs/dbraw/zinc/20/81/05/216208105.db2.gz PWNHAAUJCNMTQM-ZACQAIPSSA-N 2 2 301.478 3.489 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000281281291 216208108 /nfs/dbraw/zinc/20/81/08/216208108.db2.gz PWNHAAUJCNMTQM-ZACQAIPSSA-N 2 2 301.478 3.489 20 0 DGADLP Oc1cc(F)cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000433750008 238165832 /nfs/dbraw/zinc/16/58/32/238165832.db2.gz RLKHCYNZWQMOGR-HNNXBMFYSA-N 2 2 315.392 3.054 20 0 DGADLP C[C@H]1O[C@@H](C)C[C@H]1C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000414517253 291241327 /nfs/dbraw/zinc/24/13/27/291241327.db2.gz QJNSZFGDKNGFJS-YSDSKTICSA-N 2 2 316.489 3.300 20 0 DGADLP C[C@H]1O[C@@H](C)C[C@H]1C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000414517253 291241329 /nfs/dbraw/zinc/24/13/29/291241329.db2.gz QJNSZFGDKNGFJS-YSDSKTICSA-N 2 2 316.489 3.300 20 0 DGADLP C[NH+]1CCC(Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000271935665 209336431 /nfs/dbraw/zinc/33/64/31/209336431.db2.gz AEZVUVQTLSIWME-UHFFFAOYSA-N 2 2 308.429 3.108 20 0 DGADLP COCCCCc1ccc[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000292464476 223099241 /nfs/dbraw/zinc/09/92/41/223099241.db2.gz GZLNWZDEIMRZGN-UHFFFAOYSA-N 2 2 310.401 3.311 20 0 DGADLP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000189827327 432093698 /nfs/dbraw/zinc/09/36/98/432093698.db2.gz UTWNBMQLSWZIAY-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000189827327 432093701 /nfs/dbraw/zinc/09/37/01/432093701.db2.gz UTWNBMQLSWZIAY-SFHVURJKSA-N 2 2 301.478 3.334 20 0 DGADLP Cc1ncsc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435444035 238307310 /nfs/dbraw/zinc/30/73/10/238307310.db2.gz UQMDEMRWKRTLRJ-OAHLLOKOSA-N 2 2 319.449 3.202 20 0 DGADLP Cc1ncsc1C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435444035 238307313 /nfs/dbraw/zinc/30/73/13/238307313.db2.gz UQMDEMRWKRTLRJ-OAHLLOKOSA-N 2 2 319.449 3.202 20 0 DGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000435985316 238380795 /nfs/dbraw/zinc/38/07/95/238380795.db2.gz SESBGFIUUGPYRA-HUUCEWRRSA-N 2 2 320.481 3.123 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000192456369 200881160 /nfs/dbraw/zinc/88/11/60/200881160.db2.gz YVAUHRHXKZOYRY-ZYSHUDEJSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@](O)(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000189839662 432095669 /nfs/dbraw/zinc/09/56/69/432095669.db2.gz KCJIFMDSBHRXIO-HXUWFJFHSA-N 2 2 321.424 3.260 20 0 DGADLP C=Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000193870447 201135570 /nfs/dbraw/zinc/13/55/70/201135570.db2.gz ARIHOLZGCIPCOJ-QGZVFWFLSA-N 2 2 302.466 3.072 20 0 DGADLP C=Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000193870447 201135574 /nfs/dbraw/zinc/13/55/74/201135574.db2.gz ARIHOLZGCIPCOJ-QGZVFWFLSA-N 2 2 302.466 3.072 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000281493948 216339626 /nfs/dbraw/zinc/33/96/26/216339626.db2.gz WGAYRQAFDYTRJO-LJQANCHMSA-N 2 2 314.477 3.473 20 0 DGADLP Cc1cccn2c(C[NH2+]CCc3ccc4[nH]ccc4c3)c[nH+]c12 ZINC000441193748 239018155 /nfs/dbraw/zinc/01/81/55/239018155.db2.gz DAXNADLGGQAKDC-UHFFFAOYSA-N 2 2 304.397 3.456 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000135122174 432099515 /nfs/dbraw/zinc/09/95/15/432099515.db2.gz QEFWABOUUFYGNC-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP FC(F)(F)c1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000443976534 239243688 /nfs/dbraw/zinc/24/36/88/239243688.db2.gz AXACSXILINLXED-UHFFFAOYSA-N 2 2 307.385 3.128 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC(C)C)cc2)CC1 ZINC000135122174 432099520 /nfs/dbraw/zinc/09/95/20/432099520.db2.gz QEFWABOUUFYGNC-UHFFFAOYSA-N 2 2 318.461 3.168 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCCSCC(C)C)CC2)c1 ZINC000443614977 239218367 /nfs/dbraw/zinc/21/83/67/239218367.db2.gz MXGDADBFTWEIMV-UHFFFAOYSA-N 2 2 307.507 3.291 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2CNc2cc[nH+]c3ccncc23)cc1 ZINC000444092254 239256076 /nfs/dbraw/zinc/25/60/76/239256076.db2.gz SNCWMOVFWRFIEI-KRWDZBQOSA-N 2 2 318.424 3.128 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2CNc2cc[nH+]c3ccncc23)cc1 ZINC000444092254 239256079 /nfs/dbraw/zinc/25/60/79/239256079.db2.gz SNCWMOVFWRFIEI-KRWDZBQOSA-N 2 2 318.424 3.128 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CSC[C@@H]1C)c1cccc(OC)c1 ZINC000449069449 240002792 /nfs/dbraw/zinc/00/27/92/240002792.db2.gz XCKANCKILQHGBK-JCGIZDLHSA-N 2 2 322.518 3.419 20 0 DGADLP C[C@H]1CSC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000449138824 240033987 /nfs/dbraw/zinc/03/39/87/240033987.db2.gz JAWNJAYYETWSAG-GJZGRUSLSA-N 2 2 314.564 3.079 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000449138823 240034998 /nfs/dbraw/zinc/03/49/98/240034998.db2.gz JAWNJAYYETWSAG-CABCVRRESA-N 2 2 314.564 3.079 20 0 DGADLP COCC1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449178107 240053112 /nfs/dbraw/zinc/05/31/12/240053112.db2.gz UCGDHXHVLKNPFF-MHJFOBGBSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449178107 240053114 /nfs/dbraw/zinc/05/31/14/240053114.db2.gz UCGDHXHVLKNPFF-MHJFOBGBSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000449207940 240067843 /nfs/dbraw/zinc/06/78/43/240067843.db2.gz OMIZPGOSORJOAO-NJAFHUGGSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000449207940 240067845 /nfs/dbraw/zinc/06/78/45/240067845.db2.gz OMIZPGOSORJOAO-NJAFHUGGSA-N 2 2 304.478 3.036 20 0 DGADLP COc1cc(F)cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000449317858 240127701 /nfs/dbraw/zinc/12/77/01/240127701.db2.gz DXXGZCWQNDKOFE-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1cc(F)cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000449317858 240127706 /nfs/dbraw/zinc/12/77/06/240127706.db2.gz DXXGZCWQNDKOFE-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP COc1cc(F)cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000449317858 240127713 /nfs/dbraw/zinc/12/77/13/240127713.db2.gz DXXGZCWQNDKOFE-UHFFFAOYSA-N 2 2 320.408 3.381 20 0 DGADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)CCC1 ZINC000449356921 240155171 /nfs/dbraw/zinc/15/51/71/240155171.db2.gz CSVZJKWOQAGUKX-UHFFFAOYSA-N 2 2 312.417 3.431 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449451525 240211955 /nfs/dbraw/zinc/21/19/55/240211955.db2.gz RIFQTTCZLYMJDE-JFIYKMOQSA-N 2 2 304.478 3.036 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449451525 240211966 /nfs/dbraw/zinc/21/19/66/240211966.db2.gz RIFQTTCZLYMJDE-JFIYKMOQSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449452853 240214240 /nfs/dbraw/zinc/21/42/40/240214240.db2.gz LYTKBBMCAIOYBO-IPMKNSEASA-N 2 2 302.462 3.338 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449452853 240214244 /nfs/dbraw/zinc/21/42/44/240214244.db2.gz LYTKBBMCAIOYBO-IPMKNSEASA-N 2 2 302.462 3.338 20 0 DGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCOC1 ZINC000449471417 240229098 /nfs/dbraw/zinc/22/90/98/240229098.db2.gz CQYPTCIUOWLBNT-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCCOC1 ZINC000449471417 240229100 /nfs/dbraw/zinc/22/91/00/240229100.db2.gz CQYPTCIUOWLBNT-PKOBYXMFSA-N 2 2 316.489 3.446 20 0 DGADLP OCC1(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000449579457 240300944 /nfs/dbraw/zinc/30/09/44/240300944.db2.gz GJNXQANTMQUNJZ-UHFFFAOYSA-N 2 2 322.880 3.057 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)CC(C)(C)C ZINC000449582628 240304926 /nfs/dbraw/zinc/30/49/26/240304926.db2.gz GPUZCVUAMWAXPW-QGZVFWFLSA-N 2 2 301.434 3.101 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CO)CC(C)(C)C ZINC000449582628 240304931 /nfs/dbraw/zinc/30/49/31/240304931.db2.gz GPUZCVUAMWAXPW-QGZVFWFLSA-N 2 2 301.434 3.101 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561655 240290498 /nfs/dbraw/zinc/29/04/98/240290498.db2.gz WRCKQAUMIMXGPY-GOOCMWNKSA-N 2 2 308.853 3.454 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561655 240290504 /nfs/dbraw/zinc/29/05/04/240290504.db2.gz WRCKQAUMIMXGPY-GOOCMWNKSA-N 2 2 308.853 3.454 20 0 DGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000449560840 240290628 /nfs/dbraw/zinc/29/06/28/240290628.db2.gz QBKGJNACRDNEIG-QFMLELGNSA-N 3 2 319.537 3.244 20 0 DGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000449560840 240290633 /nfs/dbraw/zinc/29/06/33/240290633.db2.gz QBKGJNACRDNEIG-QFMLELGNSA-N 3 2 319.537 3.244 20 0 DGADLP Brc1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)c1 ZINC000171134787 432105915 /nfs/dbraw/zinc/10/59/15/432105915.db2.gz GQQIODYVTWPYPG-UHFFFAOYSA-N 2 2 306.207 3.341 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246198493 432106126 /nfs/dbraw/zinc/10/61/26/432106126.db2.gz LRAMPBUSPXCRDW-HKUYNNGSSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246198493 432106128 /nfs/dbraw/zinc/10/61/28/432106128.db2.gz LRAMPBUSPXCRDW-HKUYNNGSSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246198493 432106131 /nfs/dbraw/zinc/10/61/31/432106131.db2.gz LRAMPBUSPXCRDW-HKUYNNGSSA-N 2 2 303.494 3.450 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246198493 432106123 /nfs/dbraw/zinc/10/61/23/432106123.db2.gz LRAMPBUSPXCRDW-HKUYNNGSSA-N 2 2 303.494 3.450 20 0 DGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc2ccc(Cl)cc2n1C ZINC000091261945 193028259 /nfs/dbraw/zinc/02/82/59/193028259.db2.gz RZFZPMRUEGQQBZ-GFCCVEGCSA-N 2 2 317.824 3.164 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000091587611 193076816 /nfs/dbraw/zinc/07/68/16/193076816.db2.gz ZMQCBGKOJNUNBD-GJZGRUSLSA-N 2 2 322.449 3.099 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000091587611 193076817 /nfs/dbraw/zinc/07/68/17/193076817.db2.gz ZMQCBGKOJNUNBD-GJZGRUSLSA-N 2 2 322.449 3.099 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000091671554 193089792 /nfs/dbraw/zinc/08/97/92/193089792.db2.gz OBFITHISFDJPRN-UHFFFAOYSA-N 2 2 302.340 3.111 20 0 DGADLP CCCN(CC[NH+]1CCCC1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455467434 242208176 /nfs/dbraw/zinc/20/81/76/242208176.db2.gz BDHKATBFDHOVRN-UHFFFAOYSA-N 2 2 318.465 3.347 20 0 DGADLP Cc1cc(C)c(NC(=O)NC(C)(C)CCC[NH+](C)C)c(C)[nH+]1 ZINC000455515342 242223351 /nfs/dbraw/zinc/22/33/51/242223351.db2.gz KHSRTLAOKPNDRC-UHFFFAOYSA-N 2 2 306.454 3.249 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091344347 284000462 /nfs/dbraw/zinc/00/04/62/284000462.db2.gz LDNTUQDYLXPKGD-VQIMIIECSA-N 2 2 302.462 3.004 20 0 DGADLP c1nc(C2CC2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683830 284013670 /nfs/dbraw/zinc/01/36/70/284013670.db2.gz OPSRGWSTHVZZKX-CQSZACIVSA-N 2 2 305.491 3.328 20 0 DGADLP c1nc(C2CC2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683830 284013673 /nfs/dbraw/zinc/01/36/73/284013673.db2.gz OPSRGWSTHVZZKX-CQSZACIVSA-N 2 2 305.491 3.328 20 0 DGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000459334801 243340573 /nfs/dbraw/zinc/34/05/73/243340573.db2.gz FBIWRKBAGXAAPS-ROUUACIJSA-N 2 2 319.493 3.412 20 0 DGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000459334801 243340575 /nfs/dbraw/zinc/34/05/75/243340575.db2.gz FBIWRKBAGXAAPS-ROUUACIJSA-N 2 2 319.493 3.412 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cnc(C2CC2)nc1)C1CCCCC1 ZINC000459376632 243352569 /nfs/dbraw/zinc/35/25/69/243352569.db2.gz KZVOSACFTPJUKS-UHFFFAOYSA-N 2 2 302.466 3.098 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cnc(C2CC2)nc1)C1CCCCC1 ZINC000459376632 243352571 /nfs/dbraw/zinc/35/25/71/243352571.db2.gz KZVOSACFTPJUKS-UHFFFAOYSA-N 2 2 302.466 3.098 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000261735178 203105625 /nfs/dbraw/zinc/10/56/25/203105625.db2.gz LGOASQDFQPSWIJ-SUMWQHHRSA-N 2 2 311.385 3.330 20 0 DGADLP COCC[C@H](C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797413 244065724 /nfs/dbraw/zinc/06/57/24/244065724.db2.gz CEFORCCHFPWHSJ-LPHOPBHVSA-N 2 2 318.505 3.474 20 0 DGADLP COCC[C@H](C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468797413 244065726 /nfs/dbraw/zinc/06/57/26/244065726.db2.gz CEFORCCHFPWHSJ-LPHOPBHVSA-N 2 2 318.505 3.474 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2[nH+]1 ZINC000261856863 203135570 /nfs/dbraw/zinc/13/55/70/203135570.db2.gz PJRGDZGZGCHZRX-ZDUSSCGKSA-N 2 2 314.433 3.234 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000469866023 244128809 /nfs/dbraw/zinc/12/88/09/244128809.db2.gz LOULBSGFZVXLDD-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000469866023 244128815 /nfs/dbraw/zinc/12/88/15/244128815.db2.gz LOULBSGFZVXLDD-UWVGGRQHSA-N 2 2 303.233 3.171 20 0 DGADLP C[NH2+]C1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000469996836 244138874 /nfs/dbraw/zinc/13/88/74/244138874.db2.gz RZOVDOWFFNVXPA-GFCCVEGCSA-N 2 2 311.267 3.236 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000471582726 244219314 /nfs/dbraw/zinc/21/93/14/244219314.db2.gz QNJDWJZWCJQDBL-YSHGAJCASA-N 2 2 304.478 3.471 20 0 DGADLP CC(C)[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259445 244383872 /nfs/dbraw/zinc/38/38/72/244383872.db2.gz PKZUFLRIKQSQLO-UYAOXDASSA-N 2 2 316.489 3.080 20 0 DGADLP CC(C)[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259445 244383883 /nfs/dbraw/zinc/38/38/83/244383883.db2.gz PKZUFLRIKQSQLO-UYAOXDASSA-N 2 2 316.489 3.080 20 0 DGADLP CC(C)CC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000119796087 284152366 /nfs/dbraw/zinc/15/23/66/284152366.db2.gz PTWSFQISAWFKLR-UHFFFAOYSA-N 2 2 322.416 3.449 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093692775 193290824 /nfs/dbraw/zinc/29/08/24/193290824.db2.gz XWZDAYNUQAESLF-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000093692775 193290826 /nfs/dbraw/zinc/29/08/26/193290826.db2.gz XWZDAYNUQAESLF-MRXNPFEDSA-N 2 2 318.461 3.012 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1OC ZINC000093770486 193303285 /nfs/dbraw/zinc/30/32/85/193303285.db2.gz IVZXFQJBOCQCTM-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1OC ZINC000093770486 193303287 /nfs/dbraw/zinc/30/32/87/193303287.db2.gz IVZXFQJBOCQCTM-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1OC ZINC000093770486 193303289 /nfs/dbraw/zinc/30/32/89/193303289.db2.gz IVZXFQJBOCQCTM-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1OC ZINC000093770486 193303290 /nfs/dbraw/zinc/30/32/90/193303290.db2.gz IVZXFQJBOCQCTM-KRWDZBQOSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770511 193303367 /nfs/dbraw/zinc/30/33/67/193303367.db2.gz PBOHIQSYXNFOPJ-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC ZINC000093770511 193303369 /nfs/dbraw/zinc/30/33/69/193303369.db2.gz PBOHIQSYXNFOPJ-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)ccc1OC ZINC000093770511 193303371 /nfs/dbraw/zinc/30/33/71/193303371.db2.gz PBOHIQSYXNFOPJ-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)ccc1OC ZINC000093770511 193303373 /nfs/dbraw/zinc/30/33/73/193303373.db2.gz PBOHIQSYXNFOPJ-QGZVFWFLSA-N 2 2 320.477 3.258 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683715 193288178 /nfs/dbraw/zinc/28/81/78/193288178.db2.gz HEHSKVFKPZNNHH-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683715 193288180 /nfs/dbraw/zinc/28/81/80/193288180.db2.gz HEHSKVFKPZNNHH-KRWDZBQOSA-N 2 2 318.461 3.012 20 0 DGADLP C[N@H+](Cc1ncc(-c2cccc(Cl)c2)o1)CC(C)(C)C[NH3+] ZINC000093874375 193322628 /nfs/dbraw/zinc/32/26/28/193322628.db2.gz WIODOECMVTUYCD-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP C[N@@H+](Cc1ncc(-c2cccc(Cl)c2)o1)CC(C)(C)C[NH3+] ZINC000093874375 193322630 /nfs/dbraw/zinc/32/26/30/193322630.db2.gz WIODOECMVTUYCD-UHFFFAOYSA-N 2 2 307.825 3.412 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CCSC1)Cc1ccccc1 ZINC000486990406 245011065 /nfs/dbraw/zinc/01/10/65/245011065.db2.gz PMJHCILWVUGDIG-MSOLQXFVSA-N 2 2 306.519 3.282 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487574036 245077940 /nfs/dbraw/zinc/07/79/40/245077940.db2.gz ODYCOSHMVOWZBB-RCAFFNEUSA-N 2 2 322.456 3.305 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000487816573 245107697 /nfs/dbraw/zinc/10/76/97/245107697.db2.gz FZZRIGXWNZTINA-UHFFFAOYSA-N 2 2 304.356 3.437 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000487816573 245107702 /nfs/dbraw/zinc/10/77/02/245107702.db2.gz FZZRIGXWNZTINA-UHFFFAOYSA-N 2 2 304.356 3.437 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123339956 284236598 /nfs/dbraw/zinc/23/65/98/284236598.db2.gz WLQKRTGWDRIDFH-ZWKOTPCHSA-N 2 2 304.478 3.127 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123339956 284236600 /nfs/dbraw/zinc/23/66/00/284236600.db2.gz WLQKRTGWDRIDFH-ZWKOTPCHSA-N 2 2 304.478 3.127 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@H](C)C1 ZINC000488179131 245158491 /nfs/dbraw/zinc/15/84/91/245158491.db2.gz PZEUFQFEYACZOH-CQSZACIVSA-N 2 2 301.459 3.366 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000488179131 245158493 /nfs/dbraw/zinc/15/84/93/245158493.db2.gz PZEUFQFEYACZOH-CQSZACIVSA-N 2 2 301.459 3.366 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC4(CC4)CC3)[nH+]c2)C1 ZINC000488457759 245197023 /nfs/dbraw/zinc/19/70/23/245197023.db2.gz HSTVAXTVQZHADW-KRWDZBQOSA-N 2 2 314.477 3.357 20 0 DGADLP C[NH+](C)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC000125534747 284278226 /nfs/dbraw/zinc/27/82/26/284278226.db2.gz QJARBPCBRYFGDE-OALUTQOASA-N 2 2 320.440 3.392 20 0 DGADLP C[NH+]1CCN(c2ccc(NC3CCC(C(F)F)CC3)[nH+]c2)CC1 ZINC000282500537 217042879 /nfs/dbraw/zinc/04/28/79/217042879.db2.gz YCODHCURKMZPMA-UHFFFAOYSA-N 2 2 324.419 3.069 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126652066 284312417 /nfs/dbraw/zinc/31/24/17/284312417.db2.gz JVNOBYGDYCGKAS-ZIAGYGMSSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126652066 284312419 /nfs/dbraw/zinc/31/24/19/284312419.db2.gz JVNOBYGDYCGKAS-ZIAGYGMSSA-N 2 2 314.351 3.302 20 0 DGADLP COCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000266165229 205151705 /nfs/dbraw/zinc/15/17/05/205151705.db2.gz ALZVYTOWJOGCOJ-UHFFFAOYSA-N 2 2 321.424 3.368 20 0 DGADLP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000282903508 217313859 /nfs/dbraw/zinc/31/38/59/217313859.db2.gz FSHIXDAMBKVQCH-GOSISDBHSA-N 2 2 309.413 3.083 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC)c(OC)c1 ZINC000268769593 432131689 /nfs/dbraw/zinc/13/16/89/432131689.db2.gz LCUQHXPJMCRXRM-BBWFWOEESA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC)c(OC)c1 ZINC000268769593 432131694 /nfs/dbraw/zinc/13/16/94/432131694.db2.gz LCUQHXPJMCRXRM-BBWFWOEESA-N 2 2 318.461 3.371 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)COC2 ZINC000268771360 432131711 /nfs/dbraw/zinc/13/17/11/432131711.db2.gz PYUUZIMVWNAGPR-CQSZACIVSA-N 2 2 307.397 3.258 20 0 DGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000493632609 246027385 /nfs/dbraw/zinc/02/73/85/246027385.db2.gz PNDXDGRYNRZNTE-IBSYWUHOSA-N 2 2 324.428 3.104 20 0 DGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493749452 246058593 /nfs/dbraw/zinc/05/85/93/246058593.db2.gz SIAGFYULRHDSPL-HJWRWDBZSA-N 2 2 324.428 3.090 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1CCc2ccccc2OC1)Cc1ccccc1 ZINC000493906982 246094690 /nfs/dbraw/zinc/09/46/90/246094690.db2.gz MVIDAQXNOVHQCG-IBGZPJMESA-N 2 2 310.441 3.102 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1CCc2ccccc2OC1)Cc1ccccc1 ZINC000493906982 246094691 /nfs/dbraw/zinc/09/46/91/246094691.db2.gz MVIDAQXNOVHQCG-IBGZPJMESA-N 2 2 310.441 3.102 20 0 DGADLP CC[C@@H](C[NH2+]CC(C)(C)COC)[N@@H+]1CCc2ccccc2C1 ZINC000494357743 246139137 /nfs/dbraw/zinc/13/91/37/246139137.db2.gz QXWNELQPDUXLHP-SFHVURJKSA-N 2 2 304.478 3.086 20 0 DGADLP CC[C@@H](C[NH2+]CC(C)(C)COC)[N@H+]1CCc2ccccc2C1 ZINC000494357743 246139141 /nfs/dbraw/zinc/13/91/41/246139141.db2.gz QXWNELQPDUXLHP-SFHVURJKSA-N 2 2 304.478 3.086 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1csc(-c3ccsc3)n1)CC2 ZINC000494462395 246150682 /nfs/dbraw/zinc/15/06/82/246150682.db2.gz AWKSYBRCZPQEBV-GFCCVEGCSA-N 2 2 316.455 3.173 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000494410066 246144362 /nfs/dbraw/zinc/14/43/62/246144362.db2.gz DGTFTJYCMBQZAQ-CYBMUJFWSA-N 2 2 320.234 3.059 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268808812 432138650 /nfs/dbraw/zinc/13/86/50/432138650.db2.gz DIDPZKDEGLLHFQ-HNNXBMFYSA-N 2 2 316.445 3.239 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268818544 432140250 /nfs/dbraw/zinc/14/02/50/432140250.db2.gz GYEFQASKNGYLHW-AUUYWEPGSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268818544 432140254 /nfs/dbraw/zinc/14/02/54/432140254.db2.gz GYEFQASKNGYLHW-AUUYWEPGSA-N 2 2 313.445 3.292 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000268815470 432140867 /nfs/dbraw/zinc/14/08/67/432140867.db2.gz MCFFJJQRXJYRCI-GHMZBOCLSA-N 2 2 313.323 3.363 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000151729223 284578289 /nfs/dbraw/zinc/57/82/89/284578289.db2.gz KYVKXDUXAMLZFU-AQNXPRMDSA-N 2 2 318.505 3.344 20 0 DGADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000268837253 432144700 /nfs/dbraw/zinc/14/47/00/432144700.db2.gz NRKCBSGEZHZMOQ-RBUKOAKNSA-N 2 2 322.456 3.276 20 0 DGADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000268837253 432144703 /nfs/dbraw/zinc/14/47/03/432144703.db2.gz NRKCBSGEZHZMOQ-RBUKOAKNSA-N 2 2 322.456 3.276 20 0 DGADLP CC(C)COC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000152572665 284628969 /nfs/dbraw/zinc/62/89/69/284628969.db2.gz VKVICMTVIFTNLA-GOSISDBHSA-N 2 2 320.477 3.457 20 0 DGADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000040226720 183047966 /nfs/dbraw/zinc/04/79/66/183047966.db2.gz ZKLLMGXTRIHNEC-HNNXBMFYSA-N 2 2 320.234 3.313 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000040600197 183107904 /nfs/dbraw/zinc/10/79/04/183107904.db2.gz HMRCMIHYECZELW-CYBMUJFWSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC000040600197 183107906 /nfs/dbraw/zinc/10/79/06/183107906.db2.gz HMRCMIHYECZELW-CYBMUJFWSA-N 2 2 305.447 3.143 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000040599165 183108318 /nfs/dbraw/zinc/10/83/18/183108318.db2.gz DHLBDOLDNWUUBV-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000040599165 183108320 /nfs/dbraw/zinc/10/83/20/183108320.db2.gz DHLBDOLDNWUUBV-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP COc1cccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000040861223 183143682 /nfs/dbraw/zinc/14/36/82/183143682.db2.gz QKZVONCDFPKLFN-UHFFFAOYSA-N 2 2 318.461 3.024 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1occc1C(=O)OC ZINC000450769356 284684735 /nfs/dbraw/zinc/68/47/35/284684735.db2.gz XYOCXLYSKHNDEV-HOCLYGCPSA-N 2 2 322.449 3.056 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C(C)(C)O1 ZINC000153674892 284684989 /nfs/dbraw/zinc/68/49/89/284684989.db2.gz XYFKJJXSQXKSOG-MRXNPFEDSA-N 2 2 317.408 3.447 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000274172101 211398147 /nfs/dbraw/zinc/39/81/47/211398147.db2.gz BUHBRHMQEBBWML-GOSISDBHSA-N 2 2 318.461 3.145 20 0 DGADLP C[C@@]12CC[N@H+](Cc3cccc4[nH+]ccn43)C[C@@H]1C2(Cl)Cl ZINC000284519096 218061397 /nfs/dbraw/zinc/06/13/97/218061397.db2.gz YZMDWLDPJPZDQV-GXTWGEPZSA-N 2 2 310.228 3.350 20 0 DGADLP C[C@@]12CC[N@@H+](Cc3cccc4[nH+]ccn43)C[C@@H]1C2(Cl)Cl ZINC000284519096 218061398 /nfs/dbraw/zinc/06/13/98/218061398.db2.gz YZMDWLDPJPZDQV-GXTWGEPZSA-N 2 2 310.228 3.350 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284521294 218062817 /nfs/dbraw/zinc/06/28/17/218062817.db2.gz ZFCJIMGBVJJBRX-UHFFFAOYSA-N 2 2 323.444 3.222 20 0 DGADLP c1cn(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)c[nH+]1 ZINC000285033087 218264918 /nfs/dbraw/zinc/26/49/18/218264918.db2.gz NECTWFMHPNVCAK-UHFFFAOYSA-N 2 2 308.385 3.375 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1OC ZINC000106366953 194202342 /nfs/dbraw/zinc/20/23/42/194202342.db2.gz CBMUBSKIHPDAOR-UHFFFAOYSA-N 2 2 324.852 3.074 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccccn1 ZINC000159331130 197346178 /nfs/dbraw/zinc/34/61/78/197346178.db2.gz UANKVBRFHCETDF-KRWDZBQOSA-N 2 2 317.477 3.015 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c(C(C)C)n2)cn1 ZINC000110253034 194318046 /nfs/dbraw/zinc/31/80/46/194318046.db2.gz YERVIGVSDDJWOM-UHFFFAOYSA-N 2 2 308.389 3.101 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000249419096 296313794 /nfs/dbraw/zinc/31/37/94/296313794.db2.gz HELOVJHAEVVQEH-UXHICEINSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000249419096 296313795 /nfs/dbraw/zinc/31/37/95/296313795.db2.gz HELOVJHAEVVQEH-UXHICEINSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000249419096 296313797 /nfs/dbraw/zinc/31/37/97/296313797.db2.gz HELOVJHAEVVQEH-UXHICEINSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000249419096 296313798 /nfs/dbraw/zinc/31/37/98/296313798.db2.gz HELOVJHAEVVQEH-UXHICEINSA-N 3 2 321.553 3.449 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422880787 296314296 /nfs/dbraw/zinc/31/42/96/296314296.db2.gz MURKIPRRVAWYRN-ATZDWAIDSA-N 3 2 301.478 3.030 20 0 DGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422880787 296314298 /nfs/dbraw/zinc/31/42/98/296314298.db2.gz MURKIPRRVAWYRN-ATZDWAIDSA-N 3 2 301.478 3.030 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984114 207143606 /nfs/dbraw/zinc/14/36/06/207143606.db2.gz DQQPGHMWTCXLKQ-KXBFYZLASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000268984114 207143610 /nfs/dbraw/zinc/14/36/10/207143610.db2.gz DQQPGHMWTCXLKQ-KXBFYZLASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H](C[NH2+]Cc1sccc1Br)C[NH+]1CCCC1 ZINC000062071093 184204363 /nfs/dbraw/zinc/20/43/63/184204363.db2.gz BXHLKGBCOONCEO-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NC3CCCCC3)[nH+]c2)CC1 ZINC000269147599 207275103 /nfs/dbraw/zinc/27/51/03/207275103.db2.gz OKKMNCWYMCHOIZ-UHFFFAOYSA-N 2 2 302.466 3.357 20 0 DGADLP C[C@@H]([NH3+])CC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430804455 532951964 /nfs/dbraw/zinc/95/19/64/532951964.db2.gz YRMGJFBQSHDZKX-LLVKDONJSA-N 2 2 300.406 3.286 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248736855 285020908 /nfs/dbraw/zinc/02/09/08/285020908.db2.gz QBQLSLVTAHFFGG-BPQIPLTHSA-N 2 2 322.493 3.057 20 0 DGADLP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248736855 285020910 /nfs/dbraw/zinc/02/09/10/285020910.db2.gz QBQLSLVTAHFFGG-BPQIPLTHSA-N 2 2 322.493 3.057 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248700292 285018423 /nfs/dbraw/zinc/01/84/23/285018423.db2.gz MNMNSWVUPJJJCD-TZMCWYRMSA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2csc(Cl)c2)C1 ZINC000248700292 285018424 /nfs/dbraw/zinc/01/84/24/285018424.db2.gz MNMNSWVUPJJJCD-TZMCWYRMSA-N 2 2 316.898 3.409 20 0 DGADLP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415076364 532980671 /nfs/dbraw/zinc/98/06/71/532980671.db2.gz AWKKLDSDBDTAPH-UZLBHIALSA-N 2 2 310.441 3.374 20 0 DGADLP Cc1cc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000119660037 195012445 /nfs/dbraw/zinc/01/24/45/195012445.db2.gz STPRTMCNHMUVKR-UHFFFAOYSA-N 2 2 304.438 3.024 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000249110828 285056733 /nfs/dbraw/zinc/05/67/33/285056733.db2.gz MZUDAHVFEITMJE-RTBURBONSA-N 2 2 302.462 3.084 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000249110828 285056736 /nfs/dbraw/zinc/05/67/36/285056736.db2.gz MZUDAHVFEITMJE-RTBURBONSA-N 2 2 302.462 3.084 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC000336834011 253003838 /nfs/dbraw/zinc/00/38/38/253003838.db2.gz FAZSKXQEIQBOLW-CQSZACIVSA-N 2 2 304.463 3.356 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC000336834011 253003839 /nfs/dbraw/zinc/00/38/39/253003839.db2.gz FAZSKXQEIQBOLW-CQSZACIVSA-N 2 2 304.463 3.356 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000270093912 208152405 /nfs/dbraw/zinc/15/24/05/208152405.db2.gz AXLKDLVVQKEJJD-KRWDZBQOSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC1CCOCC1 ZINC000270093912 208152411 /nfs/dbraw/zinc/15/24/11/208152411.db2.gz AXLKDLVVQKEJJD-KRWDZBQOSA-N 2 2 313.445 3.236 20 0 DGADLP CC[C@]1(C)CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871715 253015899 /nfs/dbraw/zinc/01/58/99/253015899.db2.gz NDKHZJWQPOPJKN-QFBILLFUSA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@]1(C)CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336871715 253015900 /nfs/dbraw/zinc/01/59/00/253015900.db2.gz NDKHZJWQPOPJKN-QFBILLFUSA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337273480 253075686 /nfs/dbraw/zinc/07/56/86/253075686.db2.gz PCGQHKWIWBBJKN-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337273480 253075687 /nfs/dbraw/zinc/07/56/87/253075687.db2.gz PCGQHKWIWBBJKN-QGZVFWFLSA-N 2 2 317.477 3.048 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCCC[C@@H]3OC(F)F)c[nH+]c12 ZINC000337286409 253078236 /nfs/dbraw/zinc/07/82/36/253078236.db2.gz MDWPCAIWJXRLFF-KBPBESRZSA-N 2 2 309.360 3.283 20 0 DGADLP CC[C@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000249715641 285085342 /nfs/dbraw/zinc/08/53/42/285085342.db2.gz IICNKQAJPCNZME-DLBZAZTESA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000249715641 285085343 /nfs/dbraw/zinc/08/53/43/285085343.db2.gz IICNKQAJPCNZME-DLBZAZTESA-N 2 2 315.461 3.136 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249720083 285085372 /nfs/dbraw/zinc/08/53/72/285085372.db2.gz LQZIXHVUZJMTJK-IAGOWNOFSA-N 2 2 315.461 3.279 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249720083 285085374 /nfs/dbraw/zinc/08/53/74/285085374.db2.gz LQZIXHVUZJMTJK-IAGOWNOFSA-N 2 2 315.461 3.279 20 0 DGADLP C[NH2+][C@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430604516 533038571 /nfs/dbraw/zinc/03/85/71/533038571.db2.gz QLZRQFIRHNCHMV-ZDUSSCGKSA-N 2 2 316.367 3.158 20 0 DGADLP C[NH2+][C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000430604516 533038574 /nfs/dbraw/zinc/03/85/74/533038574.db2.gz QLZRQFIRHNCHMV-ZDUSSCGKSA-N 2 2 316.367 3.158 20 0 DGADLP Brc1sccc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000337867288 253186669 /nfs/dbraw/zinc/18/66/69/253186669.db2.gz OSZMTMMLRVFJDW-UHFFFAOYSA-N 2 2 322.231 3.448 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000270314452 208388124 /nfs/dbraw/zinc/38/81/24/208388124.db2.gz JIQJNNLGSLTKEL-QGZVFWFLSA-N 2 2 306.413 3.404 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000270314452 208388126 /nfs/dbraw/zinc/38/81/26/208388126.db2.gz JIQJNNLGSLTKEL-QGZVFWFLSA-N 2 2 306.413 3.404 20 0 DGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000338011851 253210258 /nfs/dbraw/zinc/21/02/58/253210258.db2.gz JDVCYXZNMIEORJ-STQMWFEESA-N 2 2 305.372 3.087 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccncc1F ZINC000337940074 253197035 /nfs/dbraw/zinc/19/70/35/253197035.db2.gz BQBUERZTYLKDMK-LLVKDONJSA-N 2 2 302.378 3.319 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337984662 253204641 /nfs/dbraw/zinc/20/46/41/253204641.db2.gz BUZPGVLYTBTUIE-NVXWUHKLSA-N 2 2 314.489 3.384 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC[C@@H]3C3CCC3)[nH+]c2)C1 ZINC000337999258 253207283 /nfs/dbraw/zinc/20/72/83/253207283.db2.gz OPBGUBCKCDYKBE-KZNAEPCWSA-N 2 2 314.477 3.213 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000338291230 253258493 /nfs/dbraw/zinc/25/84/93/253258493.db2.gz LHFZRRPIERBUIT-OBJOEFQTSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000338291230 253258495 /nfs/dbraw/zinc/25/84/95/253258495.db2.gz LHFZRRPIERBUIT-OBJOEFQTSA-N 2 2 308.495 3.150 20 0 DGADLP Cc1cccn2c(C[NH2+]CC[C@@H]3C[C@@H](C)O[C@@H](C)C3)c[nH+]c12 ZINC000338481021 253294894 /nfs/dbraw/zinc/29/48/94/253294894.db2.gz PITNUEZKMJSIBJ-MUJYYYPQSA-N 2 2 301.434 3.326 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cc1O ZINC000288608510 220284359 /nfs/dbraw/zinc/28/43/59/220284359.db2.gz QLHLKDRSQJHQEK-OAHLLOKOSA-N 2 2 314.429 3.011 20 0 DGADLP COc1ccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cc1O ZINC000288608510 220284363 /nfs/dbraw/zinc/28/43/63/220284363.db2.gz QLHLKDRSQJHQEK-OAHLLOKOSA-N 2 2 314.429 3.011 20 0 DGADLP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563340 253310605 /nfs/dbraw/zinc/31/06/05/253310605.db2.gz KQZYRUDGDOQNHC-MISYRCLQSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000338563340 253310608 /nfs/dbraw/zinc/31/06/08/253310608.db2.gz KQZYRUDGDOQNHC-MISYRCLQSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000338563340 253310609 /nfs/dbraw/zinc/31/06/09/253310609.db2.gz KQZYRUDGDOQNHC-MISYRCLQSA-N 2 2 314.473 3.323 20 0 DGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000338563340 253310612 /nfs/dbraw/zinc/31/06/12/253310612.db2.gz KQZYRUDGDOQNHC-MISYRCLQSA-N 2 2 314.473 3.323 20 0 DGADLP Cc1[nH+]ccn1CCCNc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000338716704 253340612 /nfs/dbraw/zinc/34/06/12/253340612.db2.gz PXAPQGFRCIMHIV-UHFFFAOYSA-N 2 2 322.416 3.252 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](COC)C3CC3)ccc2n1C1CC1 ZINC000338796209 253353526 /nfs/dbraw/zinc/35/35/26/253353526.db2.gz UVIXJLATDKURDB-QGZVFWFLSA-N 2 2 313.445 3.448 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794409 197302160 /nfs/dbraw/zinc/30/21/60/197302160.db2.gz KSQJSNLMGYPPRG-ZFWWWQNUSA-N 2 2 310.388 3.204 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794409 197302162 /nfs/dbraw/zinc/30/21/62/197302162.db2.gz KSQJSNLMGYPPRG-ZFWWWQNUSA-N 2 2 310.388 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794409 197302164 /nfs/dbraw/zinc/30/21/64/197302164.db2.gz KSQJSNLMGYPPRG-ZFWWWQNUSA-N 2 2 310.388 3.204 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3OC(F)F)CC[C@@H]21 ZINC000158794409 197302165 /nfs/dbraw/zinc/30/21/65/197302165.db2.gz KSQJSNLMGYPPRG-ZFWWWQNUSA-N 2 2 310.388 3.204 20 0 DGADLP COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422719128 285127340 /nfs/dbraw/zinc/12/73/40/285127340.db2.gz QTGGHALQNFYFIG-KEYYUXOJSA-N 2 2 308.491 3.216 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585431 197285836 /nfs/dbraw/zinc/28/58/36/197285836.db2.gz NOWJWKWYVBBIST-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585431 197285838 /nfs/dbraw/zinc/28/58/38/197285838.db2.gz NOWJWKWYVBBIST-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585431 197285840 /nfs/dbraw/zinc/28/58/40/197285840.db2.gz NOWJWKWYVBBIST-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)CC[C@@H]21 ZINC000158585431 197285841 /nfs/dbraw/zinc/28/58/41/197285841.db2.gz NOWJWKWYVBBIST-ZFWWWQNUSA-N 2 2 317.458 3.319 20 0 DGADLP COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435055329 533097024 /nfs/dbraw/zinc/09/70/24/533097024.db2.gz IGMDUBLMSLBVJW-HNAYVOBHSA-N 2 2 312.413 3.347 20 0 DGADLP COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435055329 533097031 /nfs/dbraw/zinc/09/70/31/533097031.db2.gz IGMDUBLMSLBVJW-HNAYVOBHSA-N 2 2 312.413 3.347 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000342548211 254005520 /nfs/dbraw/zinc/00/55/20/254005520.db2.gz SINYAVIQALDLMQ-GOSISDBHSA-N 2 2 308.466 3.377 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000342548211 254005521 /nfs/dbraw/zinc/00/55/21/254005521.db2.gz SINYAVIQALDLMQ-GOSISDBHSA-N 2 2 308.466 3.377 20 0 DGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000342672879 254029570 /nfs/dbraw/zinc/02/95/70/254029570.db2.gz FMECNAKQHBFMBO-NUJGCVRESA-N 2 2 312.461 3.172 20 0 DGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000342732305 254039357 /nfs/dbraw/zinc/03/93/57/254039357.db2.gz HSEPUUPTCMKWQH-QZTJIDSGSA-N 2 2 301.478 3.492 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(CC(C)C)CCC2)CC1 ZINC000342772644 254046846 /nfs/dbraw/zinc/04/68/46/254046846.db2.gz APVIJZCWSVPSEN-UHFFFAOYSA-N 2 2 324.509 3.210 20 0 DGADLP Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000342788999 254050089 /nfs/dbraw/zinc/05/00/89/254050089.db2.gz ONENCQGZRHTBJS-VXGBXAGGSA-N 2 2 312.255 3.437 20 0 DGADLP Clc1cccc2c(NCC3([NH+]4CCOCC4)CC3)cc[nH+]c12 ZINC000343224374 254117328 /nfs/dbraw/zinc/11/73/28/254117328.db2.gz HQJZLRKCNXQWHX-UHFFFAOYSA-N 2 2 317.820 3.165 20 0 DGADLP CC[C@@H]1C[N@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000343112040 254102049 /nfs/dbraw/zinc/10/20/49/254102049.db2.gz WBDAKLAGSVJQFR-CYBMUJFWSA-N 2 2 319.836 3.411 20 0 DGADLP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000343112040 254102050 /nfs/dbraw/zinc/10/20/50/254102050.db2.gz WBDAKLAGSVJQFR-CYBMUJFWSA-N 2 2 319.836 3.411 20 0 DGADLP CN(Cc1cn2c([nH+]1)CCCC2)c1cc[nH+]cc1Br ZINC000343213162 254115664 /nfs/dbraw/zinc/11/56/64/254115664.db2.gz DMAYDGSMSYZEJV-UHFFFAOYSA-N 2 2 321.222 3.013 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000343549028 254159309 /nfs/dbraw/zinc/15/93/09/254159309.db2.gz KZFNTWLDBQAFDO-MTNOOBJLSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000343549028 254159310 /nfs/dbraw/zinc/15/93/10/254159310.db2.gz KZFNTWLDBQAFDO-MTNOOBJLSA-N 2 2 301.478 3.318 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000343582408 254163766 /nfs/dbraw/zinc/16/37/66/254163766.db2.gz PCQOGWLLVZCSMO-HNNXBMFYSA-N 2 2 317.433 3.420 20 0 DGADLP CC[N@H+](CCC1CC[NH+](CCCn2cc[nH+]c2)CC1)CC1CC1 ZINC000343590086 254165123 /nfs/dbraw/zinc/16/51/23/254165123.db2.gz XKLDPXSVZUSTGE-UHFFFAOYSA-N 3 2 318.509 3.107 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](CCCn2cc[nH+]c2)CC1)CC1CC1 ZINC000343590086 254165124 /nfs/dbraw/zinc/16/51/24/254165124.db2.gz XKLDPXSVZUSTGE-UHFFFAOYSA-N 3 2 318.509 3.107 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)s2)o1 ZINC000343789032 254189091 /nfs/dbraw/zinc/18/90/91/254189091.db2.gz JZWRYXKTVSWXKD-GFCCVEGCSA-N 2 2 316.430 3.334 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826618 254193170 /nfs/dbraw/zinc/19/31/70/254193170.db2.gz DSNATJHMVLLCPS-HBNTYKKESA-N 2 2 319.396 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826618 254193171 /nfs/dbraw/zinc/19/31/71/254193171.db2.gz DSNATJHMVLLCPS-HBNTYKKESA-N 2 2 319.396 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827911 254193266 /nfs/dbraw/zinc/19/32/66/254193266.db2.gz FGHBSGWPSGTYNZ-UTLUCORTSA-N 2 2 307.385 3.295 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827911 254193268 /nfs/dbraw/zinc/19/32/68/254193268.db2.gz FGHBSGWPSGTYNZ-UTLUCORTSA-N 2 2 307.385 3.295 20 0 DGADLP COc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000343873575 254198487 /nfs/dbraw/zinc/19/84/87/254198487.db2.gz QDSLIAUJPQUNLR-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000343873575 254198489 /nfs/dbraw/zinc/19/84/89/254198489.db2.gz QDSLIAUJPQUNLR-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000343873575 254198491 /nfs/dbraw/zinc/19/84/91/254198491.db2.gz QDSLIAUJPQUNLR-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP COc1cncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000343873575 254198493 /nfs/dbraw/zinc/19/84/93/254198493.db2.gz QDSLIAUJPQUNLR-IRXDYDNUSA-N 2 2 317.477 3.177 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Oc2cccnc2)cc1 ZINC000343952342 254205923 /nfs/dbraw/zinc/20/59/23/254205923.db2.gz FZOJMMUHSNVRNM-HNNXBMFYSA-N 2 2 308.385 3.421 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000344035142 254216114 /nfs/dbraw/zinc/21/61/14/254216114.db2.gz QBUBUEFTCGSJHJ-CLCXKQKWSA-N 2 2 320.452 3.292 20 0 DGADLP C[N@H+](CCc1ccccc1O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344163828 254233866 /nfs/dbraw/zinc/23/38/66/254233866.db2.gz JNABCELGAUOSKR-UHFFFAOYSA-N 2 2 307.397 3.252 20 0 DGADLP C[N@@H+](CCc1ccccc1O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344163828 254233867 /nfs/dbraw/zinc/23/38/67/254233867.db2.gz JNABCELGAUOSKR-UHFFFAOYSA-N 2 2 307.397 3.252 20 0 DGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000415078290 533129804 /nfs/dbraw/zinc/12/98/04/533129804.db2.gz GKKTWFVOGNTXOV-PKOBYXMFSA-N 2 2 314.404 3.070 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CCCCNc2cccc[nH+]2)C[C@H]1OC ZINC000344169668 254235214 /nfs/dbraw/zinc/23/52/14/254235214.db2.gz MCPXCNUNSKAENO-HZPDHXFCSA-N 2 2 305.466 3.457 20 0 DGADLP C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344223415 254241739 /nfs/dbraw/zinc/24/17/39/254241739.db2.gz PZWUPVAVMIQDDM-OAHLLOKOSA-N 2 2 307.397 3.299 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@@H+]1C ZINC000344634214 254291239 /nfs/dbraw/zinc/29/12/39/254291239.db2.gz RRBPIYRHRUITGB-NWDGAFQWSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[N@H+]1C ZINC000344634214 254291241 /nfs/dbraw/zinc/29/12/41/254291241.db2.gz RRBPIYRHRUITGB-NWDGAFQWSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000344686404 254296018 /nfs/dbraw/zinc/29/60/18/254296018.db2.gz RDBCERGDKBMPPZ-NEPJUHHUSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000344686404 254296020 /nfs/dbraw/zinc/29/60/20/254296020.db2.gz RDBCERGDKBMPPZ-NEPJUHHUSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344671562 254294892 /nfs/dbraw/zinc/29/48/92/254294892.db2.gz AAQGRHJMCOTPHJ-TTYHFUOFSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344671562 254294894 /nfs/dbraw/zinc/29/48/94/254294894.db2.gz AAQGRHJMCOTPHJ-TTYHFUOFSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355612 254261546 /nfs/dbraw/zinc/26/15/46/254261546.db2.gz SZWZPOSMCAMSJJ-LPHOPBHVSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000344355612 254261547 /nfs/dbraw/zinc/26/15/47/254261547.db2.gz SZWZPOSMCAMSJJ-LPHOPBHVSA-N 2 2 302.462 3.228 20 0 DGADLP COC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000345150639 254334377 /nfs/dbraw/zinc/33/43/77/254334377.db2.gz CRNPHXDFQBMXKO-IUODEOHRSA-N 2 2 318.383 3.323 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(CO)c1 ZINC000345192066 254339374 /nfs/dbraw/zinc/33/93/74/254339374.db2.gz XVIGZUZTKZAWGO-HNNXBMFYSA-N 2 2 307.397 3.215 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(C)C ZINC000344737245 254300764 /nfs/dbraw/zinc/30/07/64/254300764.db2.gz BHRRBYGLVPOEBJ-BHIYHBOVSA-N 2 2 304.478 3.158 20 0 DGADLP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000344737245 254300766 /nfs/dbraw/zinc/30/07/66/254300766.db2.gz BHRRBYGLVPOEBJ-BHIYHBOVSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000255954467 285189196 /nfs/dbraw/zinc/18/91/96/285189196.db2.gz MMMJWLJSGUNUQO-CABCVRRESA-N 2 2 310.869 3.347 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000255954467 285189198 /nfs/dbraw/zinc/18/91/98/285189198.db2.gz MMMJWLJSGUNUQO-CABCVRRESA-N 2 2 310.869 3.347 20 0 DGADLP COC[C@H](Cc1ccccc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156184419 197092548 /nfs/dbraw/zinc/09/25/48/197092548.db2.gz ZHTRZIIWQIGYFN-KRWDZBQOSA-N 2 2 323.440 3.343 20 0 DGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[NH+]1CCCCCC1 ZINC000155495632 197059861 /nfs/dbraw/zinc/05/98/61/197059861.db2.gz LCBCRJWGVNZEDJ-AWEZNQCLSA-N 2 2 312.417 3.280 20 0 DGADLP COc1ccc(-c2cnc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o2)cc1 ZINC000430582723 533184015 /nfs/dbraw/zinc/18/40/15/533184015.db2.gz XCKGAJMMXIKTIC-MRXNPFEDSA-N 2 2 317.433 3.155 20 0 DGADLP COc1ccc(-c2cnc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o2)cc1 ZINC000430582723 533184025 /nfs/dbraw/zinc/18/40/25/533184025.db2.gz XCKGAJMMXIKTIC-MRXNPFEDSA-N 2 2 317.433 3.155 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415049467 533184724 /nfs/dbraw/zinc/18/47/24/533184724.db2.gz AQJDQSWHVKFUQI-GOSISDBHSA-N 2 2 313.445 3.220 20 0 DGADLP COCC1CCC([NH2+]CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000294811933 224237819 /nfs/dbraw/zinc/23/78/19/224237819.db2.gz QNAJMKRNTHBYIH-UHFFFAOYSA-N 2 2 301.434 3.140 20 0 DGADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CC[NH2+]C3)s2)cc1 ZINC000415103534 533191209 /nfs/dbraw/zinc/19/12/09/533191209.db2.gz KNSSDSAAOZSJNB-RISCZKNCSA-N 2 2 317.458 3.140 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400705 285268866 /nfs/dbraw/zinc/26/88/66/285268866.db2.gz QWSKFDGCEHKSRZ-RDJZCZTQSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337400705 285268867 /nfs/dbraw/zinc/26/88/67/285268867.db2.gz QWSKFDGCEHKSRZ-RDJZCZTQSA-N 2 2 320.477 3.017 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1nc2ccccc2n1C ZINC000120573142 195193056 /nfs/dbraw/zinc/19/30/56/195193056.db2.gz YQAIERQXYGYYDW-INIZCTEOSA-N 2 2 314.477 3.346 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000120636348 195206195 /nfs/dbraw/zinc/20/61/95/195206195.db2.gz INEWIHYFWHKACO-WMLDXEAASA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000120636348 195206197 /nfs/dbraw/zinc/20/61/97/195206197.db2.gz INEWIHYFWHKACO-WMLDXEAASA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120636348 195206198 /nfs/dbraw/zinc/20/61/98/195206198.db2.gz INEWIHYFWHKACO-WMLDXEAASA-N 2 2 304.482 3.113 20 0 DGADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000120636348 195206200 /nfs/dbraw/zinc/20/62/00/195206200.db2.gz INEWIHYFWHKACO-WMLDXEAASA-N 2 2 304.482 3.113 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(F)c1 ZINC000120657073 195210175 /nfs/dbraw/zinc/21/01/75/195210175.db2.gz NQSJSZVSROVZEN-DOXZYTNZSA-N 2 2 313.420 3.392 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC000120740074 195227461 /nfs/dbraw/zinc/22/74/61/195227461.db2.gz CDYAODQGDTZBKK-RDJZCZTQSA-N 2 2 322.493 3.201 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3coc4ccccc34)CC2)c1 ZINC000120892962 195259302 /nfs/dbraw/zinc/25/93/02/195259302.db2.gz UDDNYJDXGAMSRJ-UHFFFAOYSA-N 2 2 307.397 3.458 20 0 DGADLP CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]1 ZINC000271563388 209016218 /nfs/dbraw/zinc/01/62/18/209016218.db2.gz UQSBFHMASXBLIU-CHWSQXEVSA-N 2 2 324.432 3.273 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560029 209014684 /nfs/dbraw/zinc/01/46/84/209014684.db2.gz WNNUBYGKEPJUPS-OALUTQOASA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000271560029 209014685 /nfs/dbraw/zinc/01/46/85/209014685.db2.gz WNNUBYGKEPJUPS-OALUTQOASA-N 2 2 314.473 3.342 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1 ZINC000120923650 195265192 /nfs/dbraw/zinc/26/51/92/195265192.db2.gz NTZNPUDSGPGHOO-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000289977904 221357012 /nfs/dbraw/zinc/35/70/12/221357012.db2.gz RMCKYVUSPAGABM-UHFFFAOYSA-N 2 2 316.367 3.373 20 0 DGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289989087 221362762 /nfs/dbraw/zinc/36/27/62/221362762.db2.gz YIASLRUESREGCN-ZWKOTPCHSA-N 2 2 311.429 3.262 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289989087 221362764 /nfs/dbraw/zinc/36/27/64/221362764.db2.gz YIASLRUESREGCN-ZWKOTPCHSA-N 2 2 311.429 3.262 20 0 DGADLP c1cn(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c[nH+]1 ZINC000121758399 195342035 /nfs/dbraw/zinc/34/20/35/195342035.db2.gz NZMQIAXBSUQEBY-GOSISDBHSA-N 2 2 311.429 3.265 20 0 DGADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000121788283 195346961 /nfs/dbraw/zinc/34/69/61/195346961.db2.gz YRXUKVZEOZOFPB-UHFFFAOYSA-N 2 2 318.465 3.366 20 0 DGADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000121788283 195346963 /nfs/dbraw/zinc/34/69/63/195346963.db2.gz YRXUKVZEOZOFPB-UHFFFAOYSA-N 2 2 318.465 3.366 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)c1 ZINC000430573993 533375113 /nfs/dbraw/zinc/37/51/13/533375113.db2.gz RRZSMIKUCXIXJG-KRWDZBQOSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)F)c1 ZINC000427843038 533528313 /nfs/dbraw/zinc/52/83/13/533528313.db2.gz LQJVYMGCNQWBGF-DGCLKSJQSA-N 2 2 307.344 3.150 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357208 533541751 /nfs/dbraw/zinc/54/17/51/533541751.db2.gz PNFCBJLLYGDPMO-UZLBHIALSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc2ccccc2c1 ZINC000297357208 533541756 /nfs/dbraw/zinc/54/17/56/533541756.db2.gz PNFCBJLLYGDPMO-UZLBHIALSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636473 533541903 /nfs/dbraw/zinc/54/19/03/533541903.db2.gz BTNUFORLZKCFSZ-AEFFLSMTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cccc2ccccc21 ZINC000296636473 533541904 /nfs/dbraw/zinc/54/19/04/533541904.db2.gz BTNUFORLZKCFSZ-AEFFLSMTSA-N 2 2 312.457 3.337 20 0 DGADLP C[C@@H](CCC[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415191412 533552870 /nfs/dbraw/zinc/55/28/70/533552870.db2.gz VHNZUPALUGNPAF-ZDUSSCGKSA-N 2 2 314.389 3.123 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000357780099 285865494 /nfs/dbraw/zinc/86/54/94/285865494.db2.gz UAFZNRUBEZFJMH-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C(C)C)cc1 ZINC000091375348 400115358 /nfs/dbraw/zinc/11/53/58/400115358.db2.gz XHBFVACLGIVEDW-VQIMIIECSA-N 2 2 320.477 3.093 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000090846774 400079278 /nfs/dbraw/zinc/07/92/78/400079278.db2.gz PTNLNIZPHNFGNN-OAHLLOKOSA-N 2 2 312.413 3.445 20 0 DGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000304290246 400121427 /nfs/dbraw/zinc/12/14/27/400121427.db2.gz MGJUUWQPWAQNHS-LJQANCHMSA-N 2 2 321.424 3.043 20 0 DGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc[nH+]c1-c1ccccc1 ZINC000304290246 400121430 /nfs/dbraw/zinc/12/14/30/400121430.db2.gz MGJUUWQPWAQNHS-LJQANCHMSA-N 2 2 321.424 3.043 20 0 DGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000310128018 400132968 /nfs/dbraw/zinc/13/29/68/400132968.db2.gz XQIBFSISTNOTML-NSHDSACASA-N 2 2 317.296 3.331 20 0 DGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000310128018 400132970 /nfs/dbraw/zinc/13/29/70/400132970.db2.gz XQIBFSISTNOTML-NSHDSACASA-N 2 2 317.296 3.331 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000316644706 400150899 /nfs/dbraw/zinc/15/08/99/400150899.db2.gz PIOOCRCFLHBGMD-OAHLLOKOSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000316644706 400150903 /nfs/dbraw/zinc/15/09/03/400150903.db2.gz PIOOCRCFLHBGMD-OAHLLOKOSA-N 2 2 305.397 3.286 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072500 400154420 /nfs/dbraw/zinc/15/44/20/400154420.db2.gz ISIWYBSJEFGZMI-MRXNPFEDSA-N 2 2 321.428 3.488 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072500 400154428 /nfs/dbraw/zinc/15/44/28/400154428.db2.gz ISIWYBSJEFGZMI-MRXNPFEDSA-N 2 2 321.428 3.488 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000389849786 400269878 /nfs/dbraw/zinc/26/98/78/400269878.db2.gz UJSGNVXQRUHYDR-IMFGXOCKSA-N 2 2 322.452 3.273 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000389849786 400269881 /nfs/dbraw/zinc/26/98/81/400269881.db2.gz UJSGNVXQRUHYDR-IMFGXOCKSA-N 2 2 322.452 3.273 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000390539620 400272102 /nfs/dbraw/zinc/27/21/02/400272102.db2.gz QKJDUOMVOQNMCL-PMACEKPBSA-N 2 2 322.452 3.244 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000390539620 400272108 /nfs/dbraw/zinc/27/21/08/400272108.db2.gz QKJDUOMVOQNMCL-PMACEKPBSA-N 2 2 322.452 3.244 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404454915 400295010 /nfs/dbraw/zinc/29/50/10/400295010.db2.gz IUNPVLGKOFJNGB-YOEHRIQHSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404454915 400295014 /nfs/dbraw/zinc/29/50/14/400295014.db2.gz IUNPVLGKOFJNGB-YOEHRIQHSA-N 2 2 301.459 3.143 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000385816875 400262220 /nfs/dbraw/zinc/26/22/20/400262220.db2.gz TUIRWRAXFWLFPR-CQSZACIVSA-N 2 2 316.474 3.025 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000385816875 400262222 /nfs/dbraw/zinc/26/22/22/400262222.db2.gz TUIRWRAXFWLFPR-CQSZACIVSA-N 2 2 316.474 3.025 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000072974717 400420578 /nfs/dbraw/zinc/42/05/78/400420578.db2.gz MYQHKTLDRIIARM-HUUCEWRRSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000072974717 400420579 /nfs/dbraw/zinc/42/05/79/400420579.db2.gz MYQHKTLDRIIARM-HUUCEWRRSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000072974717 400420580 /nfs/dbraw/zinc/42/05/80/400420580.db2.gz MYQHKTLDRIIARM-HUUCEWRRSA-N 2 2 322.415 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000072974717 400420581 /nfs/dbraw/zinc/42/05/81/400420581.db2.gz MYQHKTLDRIIARM-HUUCEWRRSA-N 2 2 322.415 3.152 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)n1C ZINC000597150379 400570406 /nfs/dbraw/zinc/57/04/06/400570406.db2.gz QTWQUBZLWNTWOX-OAHLLOKOSA-N 2 2 321.465 3.062 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)n1C ZINC000597150379 400570410 /nfs/dbraw/zinc/57/04/10/400570410.db2.gz QTWQUBZLWNTWOX-OAHLLOKOSA-N 2 2 321.465 3.062 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000597072306 400551601 /nfs/dbraw/zinc/55/16/01/400551601.db2.gz RACSHGYTOAWKBG-ZDUSSCGKSA-N 2 2 314.414 3.437 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)c1 ZINC000597072306 400551604 /nfs/dbraw/zinc/55/16/04/400551604.db2.gz RACSHGYTOAWKBG-ZDUSSCGKSA-N 2 2 314.414 3.437 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000075766416 400611265 /nfs/dbraw/zinc/61/12/65/400611265.db2.gz VNEQLVFXQCUMDY-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000075766416 400611269 /nfs/dbraw/zinc/61/12/69/400611269.db2.gz VNEQLVFXQCUMDY-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000075766416 400611275 /nfs/dbraw/zinc/61/12/75/400611275.db2.gz VNEQLVFXQCUMDY-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000075766416 400611278 /nfs/dbraw/zinc/61/12/78/400611278.db2.gz VNEQLVFXQCUMDY-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Clc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150840918 400667373 /nfs/dbraw/zinc/66/73/73/400667373.db2.gz HSGLLKYURBQRLD-HNNXBMFYSA-N 2 2 308.853 3.137 20 0 DGADLP Clc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150840918 400667378 /nfs/dbraw/zinc/66/73/78/400667378.db2.gz HSGLLKYURBQRLD-HNNXBMFYSA-N 2 2 308.853 3.137 20 0 DGADLP c1ccc(NCCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH+]c1 ZINC000163784958 400748855 /nfs/dbraw/zinc/74/88/55/400748855.db2.gz ADDWWLSURRGDMG-UHFFFAOYSA-N 3 2 316.493 3.270 20 0 DGADLP Clc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517362 400696661 /nfs/dbraw/zinc/69/66/61/400696661.db2.gz RYSIBUXWNLCVEX-INIZCTEOSA-N 2 2 308.853 3.073 20 0 DGADLP COc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000078887957 400831839 /nfs/dbraw/zinc/83/18/39/400831839.db2.gz ZPFNUIQHFQJLJF-UHFFFAOYSA-N 2 2 307.397 3.230 20 0 DGADLP COc1ccccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000174242761 400854708 /nfs/dbraw/zinc/85/47/08/400854708.db2.gz LHBPSVZGXKYAFX-UHFFFAOYSA-N 2 2 307.397 3.349 20 0 DGADLP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000599065102 400946030 /nfs/dbraw/zinc/94/60/30/400946030.db2.gz NWDIUCWEBKDZGG-HTWSVDAQSA-N 2 2 322.493 3.105 20 0 DGADLP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000599065102 400946035 /nfs/dbraw/zinc/94/60/35/400946035.db2.gz NWDIUCWEBKDZGG-HTWSVDAQSA-N 2 2 322.493 3.105 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598954463 400911435 /nfs/dbraw/zinc/91/14/35/400911435.db2.gz UKGOLPMQJMEJCC-GFCCVEGCSA-N 2 2 321.446 3.078 20 0 DGADLP C[C@@H]([C@@H]1CCCC[NH2+]1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514765 400952984 /nfs/dbraw/zinc/95/29/84/400952984.db2.gz OLPPZDABMCXXCI-XKQJLSEDSA-N 2 2 308.853 3.324 20 0 DGADLP C[C@@H]([C@@H]1CCCC[NH2+]1)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514765 400952987 /nfs/dbraw/zinc/95/29/87/400952987.db2.gz OLPPZDABMCXXCI-XKQJLSEDSA-N 2 2 308.853 3.324 20 0 DGADLP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000080141729 400926087 /nfs/dbraw/zinc/92/60/87/400926087.db2.gz OJWVVQNFXFCPCB-FQEVSTJZSA-N 2 2 310.441 3.197 20 0 DGADLP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000080141729 400926089 /nfs/dbraw/zinc/92/60/89/400926089.db2.gz OJWVVQNFXFCPCB-FQEVSTJZSA-N 2 2 310.441 3.197 20 0 DGADLP CC[N@H+](CC[NH3+])Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000629651581 401017436 /nfs/dbraw/zinc/01/74/36/401017436.db2.gz TYGHVNDSVGFFJM-UHFFFAOYSA-N 2 2 313.445 3.058 20 0 DGADLP CC[N@@H+](CC[NH3+])Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000629651581 401017447 /nfs/dbraw/zinc/01/74/47/401017447.db2.gz TYGHVNDSVGFFJM-UHFFFAOYSA-N 2 2 313.445 3.058 20 0 DGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)CCC2 ZINC000629556559 400972563 /nfs/dbraw/zinc/97/25/63/400972563.db2.gz SHBUBFDQCIFDHW-KZNAEPCWSA-N 2 2 320.864 3.074 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562095 400977097 /nfs/dbraw/zinc/97/70/97/400977097.db2.gz MPHSORPBPTZOEX-NRUUGDAUSA-N 2 2 322.321 3.485 20 0 DGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562095 400977099 /nfs/dbraw/zinc/97/70/99/400977099.db2.gz MPHSORPBPTZOEX-NRUUGDAUSA-N 2 2 322.321 3.485 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563194 400977444 /nfs/dbraw/zinc/97/74/44/400977444.db2.gz FXYACVZLBVCEON-VXGBXAGGSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563194 400977447 /nfs/dbraw/zinc/97/74/47/400977447.db2.gz FXYACVZLBVCEON-VXGBXAGGSA-N 2 2 306.759 3.299 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2sccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566576 400979257 /nfs/dbraw/zinc/97/92/57/400979257.db2.gz ZRPWCSKZJANKDJ-IUCAKERBSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2sccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566576 400979262 /nfs/dbraw/zinc/97/92/62/400979262.db2.gz ZRPWCSKZJANKDJ-IUCAKERBSA-N 2 2 312.788 3.361 20 0 DGADLP CCOCCCNc1ccc(-c2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000629705973 401050661 /nfs/dbraw/zinc/05/06/61/401050661.db2.gz CCYCGWCKBPDAKJ-UHFFFAOYSA-N 2 2 313.445 3.071 20 0 DGADLP CC[C@H](CO)Nc1ccc(-c2ccc(CC[NH+](C)C)cc2)c[nH+]1 ZINC000629733022 401064465 /nfs/dbraw/zinc/06/44/65/401064465.db2.gz YCINBWNCQLLYCQ-GOSISDBHSA-N 2 2 313.445 3.036 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000599385805 401039709 /nfs/dbraw/zinc/03/97/09/401039709.db2.gz NQPLXMLLJYQPNY-HOTGVXAUSA-N 2 2 312.498 3.159 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000599385805 401039714 /nfs/dbraw/zinc/03/97/14/401039714.db2.gz NQPLXMLLJYQPNY-HOTGVXAUSA-N 2 2 312.498 3.159 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599432075 401047609 /nfs/dbraw/zinc/04/76/09/401047609.db2.gz HAKLETJJRZKCLJ-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599432075 401047612 /nfs/dbraw/zinc/04/76/12/401047612.db2.gz HAKLETJJRZKCLJ-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000599432075 401047617 /nfs/dbraw/zinc/04/76/17/401047617.db2.gz HAKLETJJRZKCLJ-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000599432075 401047622 /nfs/dbraw/zinc/04/76/22/401047622.db2.gz HAKLETJJRZKCLJ-LPHOPBHVSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)(C)C1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000607751619 401117699 /nfs/dbraw/zinc/11/76/99/401117699.db2.gz GCNKQVZKJISAJY-JLAWEPINSA-N 2 2 322.537 3.493 20 0 DGADLP CC(C)(C)C1CCC(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000607751619 401117705 /nfs/dbraw/zinc/11/77/05/401117705.db2.gz GCNKQVZKJISAJY-JLAWEPINSA-N 2 2 322.537 3.493 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000358224834 286003137 /nfs/dbraw/zinc/00/31/37/286003137.db2.gz LCEFWSHFFGNSKY-HXUWFJFHSA-N 2 2 318.424 3.296 20 0 DGADLP Clc1ccc(/C=C\C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625545411 401153414 /nfs/dbraw/zinc/15/34/14/401153414.db2.gz AWISLOGIZXCEEL-UPHRSURJSA-N 2 2 320.864 3.150 20 0 DGADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccn2cc(C)[nH+]c2c1)c1ccccc1 ZINC000620649834 401165481 /nfs/dbraw/zinc/16/54/81/401165481.db2.gz FMOHUSLMEXRDIX-GOSISDBHSA-N 2 2 322.412 3.274 20 0 DGADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccn2cc(C)[nH+]c2c1)c1ccccc1 ZINC000620649834 401165483 /nfs/dbraw/zinc/16/54/83/401165483.db2.gz FMOHUSLMEXRDIX-GOSISDBHSA-N 2 2 322.412 3.274 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000594748794 401168749 /nfs/dbraw/zinc/16/87/49/401168749.db2.gz MVAJBWGVRHLCOO-AWEZNQCLSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000594748794 401168754 /nfs/dbraw/zinc/16/87/54/401168754.db2.gz MVAJBWGVRHLCOO-AWEZNQCLSA-N 2 2 323.868 3.131 20 0 DGADLP Cc1ccccc1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358286108 286020889 /nfs/dbraw/zinc/02/08/89/286020889.db2.gz KXWRTROKCYRFKP-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000630060564 401173551 /nfs/dbraw/zinc/17/35/51/401173551.db2.gz MIDPNYUEVAIQMX-UYAOXDASSA-N 3 2 313.489 3.038 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000630060564 401173559 /nfs/dbraw/zinc/17/35/59/401173559.db2.gz MIDPNYUEVAIQMX-UYAOXDASSA-N 3 2 313.489 3.038 20 0 DGADLP Oc1ccc2c(c1)C[NH+](CCCC[N@H+]1Cc3ccc(O)cc3C1)C2 ZINC000625727806 401195197 /nfs/dbraw/zinc/19/51/97/401195197.db2.gz MKZSLDDDVMSFRE-UHFFFAOYSA-N 2 2 324.424 3.209 20 0 DGADLP Oc1ccc2c(c1)C[NH+](CCCC[N@@H+]1Cc3ccc(O)cc3C1)C2 ZINC000625727806 401195201 /nfs/dbraw/zinc/19/52/01/401195201.db2.gz MKZSLDDDVMSFRE-UHFFFAOYSA-N 2 2 324.424 3.209 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000594955600 401205018 /nfs/dbraw/zinc/20/50/18/401205018.db2.gz CRGOXRYOAZUUKJ-BBWFWOEESA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000594955600 401205027 /nfs/dbraw/zinc/20/50/27/401205027.db2.gz CRGOXRYOAZUUKJ-BBWFWOEESA-N 2 2 324.509 3.351 20 0 DGADLP CSCC1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000594964067 401211787 /nfs/dbraw/zinc/21/17/87/401211787.db2.gz UYWHPMVBBLQUJK-UHFFFAOYSA-N 2 2 301.459 3.495 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)CC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000621659150 401271701 /nfs/dbraw/zinc/27/17/01/401271701.db2.gz ARYKGXJPTOUUSQ-AWEZNQCLSA-N 2 2 312.417 3.103 20 0 DGADLP c1ccc([C@H]2C[C@H]2C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000089587505 401226717 /nfs/dbraw/zinc/22/67/17/401226717.db2.gz VFLCWGNRFTUOFC-PZJWPPBQSA-N 2 2 321.468 3.439 20 0 DGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000089587497 401226733 /nfs/dbraw/zinc/22/67/33/401226733.db2.gz VFLCWGNRFTUOFC-CTNGQTDRSA-N 2 2 321.468 3.439 20 0 DGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047049 401249254 /nfs/dbraw/zinc/24/92/54/401249254.db2.gz NHLAYWUNVZDENJ-IRXDYDNUSA-N 2 2 320.477 3.235 20 0 DGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047051 401249505 /nfs/dbraw/zinc/24/95/05/401249505.db2.gz NHLAYWUNVZDENJ-SJORKVTESA-N 2 2 320.477 3.235 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cc(C)ccc1OC ZINC000090047227 401249564 /nfs/dbraw/zinc/24/95/64/401249564.db2.gz GIOMLJROLDRSSY-SJLPKXTDSA-N 2 2 320.477 3.155 20 0 DGADLP C[C@@H](CC1CCOCC1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050341 401251237 /nfs/dbraw/zinc/25/12/37/401251237.db2.gz CJUVGWYIWXAAGN-HNNXBMFYSA-N 2 2 315.461 3.301 20 0 DGADLP CC(C)c1cc(NCC2([NH+](C)C)CCOCC2)nc(C(C)C)[nH+]1 ZINC000090092932 401256217 /nfs/dbraw/zinc/25/62/17/401256217.db2.gz ULELEXSYNKAUSB-UHFFFAOYSA-N 2 2 320.481 3.246 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003531 401334909 /nfs/dbraw/zinc/33/49/09/401334909.db2.gz AZBPPBLXAQWLOP-FXAWDEMLSA-N 2 2 323.440 3.496 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1Oc1cccnc1 ZINC000622003531 401334911 /nfs/dbraw/zinc/33/49/11/401334911.db2.gz AZBPPBLXAQWLOP-FXAWDEMLSA-N 2 2 323.440 3.496 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004908 401334921 /nfs/dbraw/zinc/33/49/21/401334921.db2.gz WGZITHCWBRZXDG-PBHICJAKSA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004908 401334925 /nfs/dbraw/zinc/33/49/25/401334925.db2.gz WGZITHCWBRZXDG-PBHICJAKSA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004945 401334952 /nfs/dbraw/zinc/33/49/52/401334952.db2.gz WNGVREKPOHLOTN-PKOBYXMFSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004945 401334955 /nfs/dbraw/zinc/33/49/55/401334955.db2.gz WNGVREKPOHLOTN-PKOBYXMFSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004910 401335281 /nfs/dbraw/zinc/33/52/81/401335281.db2.gz WGZITHCWBRZXDG-WMLDXEAASA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000622004910 401335285 /nfs/dbraw/zinc/33/52/85/401335285.db2.gz WGZITHCWBRZXDG-WMLDXEAASA-N 2 2 316.836 3.043 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004942 401335394 /nfs/dbraw/zinc/33/53/94/401335394.db2.gz WNGVREKPOHLOTN-HKUYNNGSSA-N 2 2 311.404 3.201 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3ccncc3)cc1F)C2 ZINC000622004942 401335396 /nfs/dbraw/zinc/33/53/96/401335396.db2.gz WNGVREKPOHLOTN-HKUYNNGSSA-N 2 2 311.404 3.201 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000634732965 401341139 /nfs/dbraw/zinc/34/11/39/401341139.db2.gz SMSATUCQIHCSJB-ZDUSSCGKSA-N 2 2 316.474 3.073 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cscn1 ZINC000631197442 401424492 /nfs/dbraw/zinc/42/44/92/401424492.db2.gz ZHFIOEOQZIEODH-GDBMZVCRSA-N 2 2 301.459 3.001 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cscn1 ZINC000631197442 401424494 /nfs/dbraw/zinc/42/44/94/401424494.db2.gz ZHFIOEOQZIEODH-GDBMZVCRSA-N 2 2 301.459 3.001 20 0 DGADLP C[NH+](C)CC1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000635458550 401444807 /nfs/dbraw/zinc/44/48/07/401444807.db2.gz WLBNUSSMCDJXTO-UHFFFAOYSA-N 2 2 311.385 3.154 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635458858 401444834 /nfs/dbraw/zinc/44/48/34/401444834.db2.gz JCHRRVHQTKAVRI-MRXNPFEDSA-N 2 2 310.401 3.032 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635458858 401444836 /nfs/dbraw/zinc/44/48/36/401444836.db2.gz JCHRRVHQTKAVRI-MRXNPFEDSA-N 2 2 310.401 3.032 20 0 DGADLP COc1ccc(C)cc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088884 401462681 /nfs/dbraw/zinc/46/26/81/401462681.db2.gz JIWZIZITQVHBPS-UHFFFAOYSA-N 2 2 312.404 3.070 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCc4ncccc43)[nH+]c12 ZINC000631585049 401506248 /nfs/dbraw/zinc/50/62/48/401506248.db2.gz MKGFHQILQHFASI-GOSISDBHSA-N 2 2 306.413 3.247 20 0 DGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000631586376 401506471 /nfs/dbraw/zinc/50/64/71/401506471.db2.gz ZJGSACRZGOJJGO-IBGZPJMESA-N 2 2 321.424 3.471 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588139 401507405 /nfs/dbraw/zinc/50/74/05/401507405.db2.gz ZKWBIEDOBHBATL-KEYYUXOJSA-N 2 2 318.461 3.370 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1OC ZINC000631588139 401507406 /nfs/dbraw/zinc/50/74/06/401507406.db2.gz ZKWBIEDOBHBATL-KEYYUXOJSA-N 2 2 318.461 3.370 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000631654126 401525728 /nfs/dbraw/zinc/52/57/28/401525728.db2.gz DXMRCLWKQMAGBF-QVDUIBETSA-N 2 2 320.864 3.385 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000631654126 401525730 /nfs/dbraw/zinc/52/57/30/401525730.db2.gz DXMRCLWKQMAGBF-QVDUIBETSA-N 2 2 320.864 3.385 20 0 DGADLP Brc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884537 401563514 /nfs/dbraw/zinc/56/35/14/401563514.db2.gz KRTHBZCDNYVSPK-HIFRSBDPSA-N 2 2 309.251 3.023 20 0 DGADLP Brc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631884537 401563519 /nfs/dbraw/zinc/56/35/19/401563519.db2.gz KRTHBZCDNYVSPK-HIFRSBDPSA-N 2 2 309.251 3.023 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000623656302 401563754 /nfs/dbraw/zinc/56/37/54/401563754.db2.gz RSGFICLMWAWZAE-CQSZACIVSA-N 2 2 316.474 3.027 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000623656302 401563756 /nfs/dbraw/zinc/56/37/56/401563756.db2.gz RSGFICLMWAWZAE-CQSZACIVSA-N 2 2 316.474 3.027 20 0 DGADLP COc1cccc([C@@H](C[NH2+]CCCc2ccc(C)[nH+]c2)OC)c1 ZINC000628377175 401586160 /nfs/dbraw/zinc/58/61/60/401586160.db2.gz INFCIYNSOWKFRG-LJQANCHMSA-N 2 2 314.429 3.309 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000631748652 401549072 /nfs/dbraw/zinc/54/90/72/401549072.db2.gz IJGKKEZPJMAVLL-XLIONFOSSA-N 2 2 316.489 3.364 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)CC3CCOCC3)C2)cc1 ZINC000631748652 401549076 /nfs/dbraw/zinc/54/90/76/401549076.db2.gz IJGKKEZPJMAVLL-XLIONFOSSA-N 2 2 316.489 3.364 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC(CF)(CF)C3)C2)cc1 ZINC000631748447 401549401 /nfs/dbraw/zinc/54/94/01/401549401.db2.gz GCDUCDKWNLXRRW-INIZCTEOSA-N 2 2 308.416 3.247 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC(CF)(CF)C3)C2)cc1 ZINC000631748447 401549403 /nfs/dbraw/zinc/54/94/03/401549403.db2.gz GCDUCDKWNLXRRW-INIZCTEOSA-N 2 2 308.416 3.247 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000623635030 401559725 /nfs/dbraw/zinc/55/97/25/401559725.db2.gz OYMIBBKRZBYXON-MRXNPFEDSA-N 2 2 315.392 3.197 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000623635030 401559728 /nfs/dbraw/zinc/55/97/28/401559728.db2.gz OYMIBBKRZBYXON-MRXNPFEDSA-N 2 2 315.392 3.197 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122937 401628933 /nfs/dbraw/zinc/62/89/33/401628933.db2.gz BHMJPBZZJIIURY-RISCZKNCSA-N 2 2 312.379 3.413 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000624122937 401628934 /nfs/dbraw/zinc/62/89/34/401628934.db2.gz BHMJPBZZJIIURY-RISCZKNCSA-N 2 2 312.379 3.413 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000624121813 401629142 /nfs/dbraw/zinc/62/91/42/401629142.db2.gz DJKLJAXDNVZHBS-PXNSSMCTSA-N 2 2 309.457 3.493 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000624121813 401629144 /nfs/dbraw/zinc/62/91/44/401629144.db2.gz DJKLJAXDNVZHBS-PXNSSMCTSA-N 2 2 309.457 3.493 20 0 DGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230941 401641968 /nfs/dbraw/zinc/64/19/68/401641968.db2.gz LHWMNKUTUGXFQI-RYQLBKOJSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624230941 401641970 /nfs/dbraw/zinc/64/19/70/401641970.db2.gz LHWMNKUTUGXFQI-RYQLBKOJSA-N 2 2 322.880 3.022 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000624256441 401644193 /nfs/dbraw/zinc/64/41/93/401644193.db2.gz SKTULECONJWOGQ-INIZCTEOSA-N 2 2 320.452 3.464 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267433 401645579 /nfs/dbraw/zinc/64/55/79/401645579.db2.gz MYOTZVYWNSGCRM-FOIQADDNSA-N 2 2 307.441 3.321 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267433 401645581 /nfs/dbraw/zinc/64/55/81/401645581.db2.gz MYOTZVYWNSGCRM-FOIQADDNSA-N 2 2 307.441 3.321 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000358660471 286118201 /nfs/dbraw/zinc/11/82/01/286118201.db2.gz GLGGFZPCRCTWPB-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000358660471 286118202 /nfs/dbraw/zinc/11/82/02/286118202.db2.gz GLGGFZPCRCTWPB-FPAYPSAMSA-N 3 2 307.526 3.102 20 0 DGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431090258 292211102 /nfs/dbraw/zinc/21/11/02/292211102.db2.gz XXWIAJASIISEIF-HNNXBMFYSA-N 2 2 314.433 3.299 20 0 DGADLP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431090258 292211104 /nfs/dbraw/zinc/21/11/04/292211104.db2.gz XXWIAJASIISEIF-HNNXBMFYSA-N 2 2 314.433 3.299 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000358836880 286165234 /nfs/dbraw/zinc/16/52/34/286165234.db2.gz WKIRMQYPCJMJJF-RDTXWAMCSA-N 2 2 305.441 3.353 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000358925494 286189037 /nfs/dbraw/zinc/18/90/37/286189037.db2.gz FDBTZOCGXSTPOR-QUCCMNQESA-N 2 2 324.472 3.224 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000359004459 286212344 /nfs/dbraw/zinc/21/23/44/286212344.db2.gz PQKUZSRJSVKKMF-POZUXBRTSA-N 2 2 312.461 3.079 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC(C)C ZINC000272661879 286220008 /nfs/dbraw/zinc/22/00/08/286220008.db2.gz RNYDFJJJINZRNM-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC(C)C ZINC000272661879 286220009 /nfs/dbraw/zinc/22/00/09/286220009.db2.gz RNYDFJJJINZRNM-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OC(C)C ZINC000272661879 286220010 /nfs/dbraw/zinc/22/00/10/286220010.db2.gz RNYDFJJJINZRNM-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC(C)C ZINC000272661879 286220012 /nfs/dbraw/zinc/22/00/12/286220012.db2.gz RNYDFJJJINZRNM-DLBZAZTESA-N 2 2 318.461 3.008 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000414766938 286220035 /nfs/dbraw/zinc/22/00/35/286220035.db2.gz IVGCHQYTTVFCNX-HOCLYGCPSA-N 2 2 306.450 3.042 20 0 DGADLP COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000414766938 286220037 /nfs/dbraw/zinc/22/00/37/286220037.db2.gz IVGCHQYTTVFCNX-HOCLYGCPSA-N 2 2 306.450 3.042 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000359102348 286237349 /nfs/dbraw/zinc/23/73/49/286237349.db2.gz FUQSDJMOWSTAFR-UYAOXDASSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000359102348 286237350 /nfs/dbraw/zinc/23/73/50/286237350.db2.gz FUQSDJMOWSTAFR-UYAOXDASSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102348 286237351 /nfs/dbraw/zinc/23/73/51/286237351.db2.gz FUQSDJMOWSTAFR-UYAOXDASSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359102348 286237352 /nfs/dbraw/zinc/23/73/52/286237352.db2.gz FUQSDJMOWSTAFR-UYAOXDASSA-N 3 2 317.521 3.359 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1OC ZINC000359639288 286351949 /nfs/dbraw/zinc/35/19/49/286351949.db2.gz KKYGRESSGKUFKF-ZDUSSCGKSA-N 2 2 312.429 3.224 20 0 DGADLP COc1cc(F)c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1OC ZINC000359639288 286351951 /nfs/dbraw/zinc/35/19/51/286351951.db2.gz KKYGRESSGKUFKF-ZDUSSCGKSA-N 2 2 312.429 3.224 20 0 DGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000359680960 286359955 /nfs/dbraw/zinc/35/99/55/286359955.db2.gz RRCGNTLHEDWEQW-MPGHIAIKSA-N 2 2 308.441 3.366 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713815 286366485 /nfs/dbraw/zinc/36/64/85/286366485.db2.gz BYOSKNUPFOCJRN-AUUYWEPGSA-N 2 2 300.446 3.048 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713815 286366486 /nfs/dbraw/zinc/36/64/86/286366486.db2.gz BYOSKNUPFOCJRN-AUUYWEPGSA-N 2 2 300.446 3.048 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713817 286366506 /nfs/dbraw/zinc/36/65/06/286366506.db2.gz BYOSKNUPFOCJRN-KUHUBIRLSA-N 2 2 300.446 3.048 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359713817 286366508 /nfs/dbraw/zinc/36/65/08/286366508.db2.gz BYOSKNUPFOCJRN-KUHUBIRLSA-N 2 2 300.446 3.048 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000361213783 286625217 /nfs/dbraw/zinc/62/52/17/286625217.db2.gz BAXCTDUFUBSPQP-UHFFFAOYSA-N 2 2 320.521 3.290 20 0 DGADLP CC[C@H](O)CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361364953 286661833 /nfs/dbraw/zinc/66/18/33/286661833.db2.gz HBUUFBQPMCYNDQ-KRWDZBQOSA-N 2 2 324.896 3.445 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CCC2 ZINC000361972728 286753394 /nfs/dbraw/zinc/75/33/94/286753394.db2.gz TUMOSOAPWIXCRS-MSOLQXFVSA-N 2 2 320.502 3.100 20 0 DGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCO2 ZINC000363836249 286963908 /nfs/dbraw/zinc/96/39/08/286963908.db2.gz VFNQGGARRZKNSR-AWEZNQCLSA-N 2 2 311.429 3.048 20 0 DGADLP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000187090303 165075636 /nfs/dbraw/zinc/07/56/36/165075636.db2.gz APGVEFNZOXADAH-UHFFFAOYSA-N 2 2 322.412 3.134 20 0 DGADLP COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000187994349 165108707 /nfs/dbraw/zinc/10/87/07/165108707.db2.gz AQDSMFHOHGJRNN-GOSISDBHSA-N 2 2 309.413 3.024 20 0 DGADLP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000187994349 165108710 /nfs/dbraw/zinc/10/87/10/165108710.db2.gz AQDSMFHOHGJRNN-GOSISDBHSA-N 2 2 309.413 3.024 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000189252727 165156661 /nfs/dbraw/zinc/15/66/61/165156661.db2.gz HQHLDXVAGQPNGH-IOJLRTSASA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000189252727 165156663 /nfs/dbraw/zinc/15/66/63/165156663.db2.gz HQHLDXVAGQPNGH-IOJLRTSASA-N 2 2 316.489 3.446 20 0 DGADLP c1cn(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)c[nH+]1 ZINC000190980752 165224083 /nfs/dbraw/zinc/22/40/83/165224083.db2.gz POBHEIYPCHVOMA-KRWDZBQOSA-N 2 2 303.450 3.402 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H]3CCOc4c(F)cccc43)c[nH+]c12 ZINC000191128254 165230334 /nfs/dbraw/zinc/23/03/34/165230334.db2.gz AZVUTNNGRSGHMF-INIZCTEOSA-N 2 2 311.360 3.395 20 0 DGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1nccn1-c1ccccc1)C(C)(C)C ZINC000191095399 165230580 /nfs/dbraw/zinc/23/05/80/165230580.db2.gz UMJIDLCQEGCXSF-QGZVFWFLSA-N 2 2 314.477 3.328 20 0 DGADLP C[C@@H](CC[NH2+]Cc1ccc(Br)o1)[NH+]1CCCCC1 ZINC000191589857 165259041 /nfs/dbraw/zinc/25/90/41/165259041.db2.gz GYGNINIEKKHQFA-LBPRGKRZSA-N 2 2 315.255 3.396 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(Br)o2)CCCC1 ZINC000191597110 165260610 /nfs/dbraw/zinc/26/06/10/165260610.db2.gz PLQBIGNQPZAZIW-UHFFFAOYSA-N 2 2 315.255 3.254 20 0 DGADLP C[NH+]1CCN(c2ccc(NCc3sccc3Cl)[nH+]c2)CC1 ZINC000192750203 165304509 /nfs/dbraw/zinc/30/45/09/165304509.db2.gz TZYLZNFZRMEKBG-UHFFFAOYSA-N 2 2 322.865 3.160 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403245 287128262 /nfs/dbraw/zinc/12/82/62/287128262.db2.gz MJHPTEBWRLSLFM-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000365403245 287128263 /nfs/dbraw/zinc/12/82/63/287128263.db2.gz MJHPTEBWRLSLFM-IAGOWNOFSA-N 2 2 317.477 3.047 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000365505228 287139311 /nfs/dbraw/zinc/13/93/11/287139311.db2.gz OPQQMVUPTAOVBP-KZNAEPCWSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000365505228 287139316 /nfs/dbraw/zinc/13/93/16/287139316.db2.gz OPQQMVUPTAOVBP-KZNAEPCWSA-N 2 2 313.489 3.118 20 0 DGADLP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000495935229 287144341 /nfs/dbraw/zinc/14/43/41/287144341.db2.gz NJJQWIDRZYDLMM-AWEZNQCLSA-N 2 2 319.449 3.024 20 0 DGADLP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000495935229 287144345 /nfs/dbraw/zinc/14/43/45/287144345.db2.gz NJJQWIDRZYDLMM-AWEZNQCLSA-N 2 2 319.449 3.024 20 0 DGADLP COc1cccc(CCC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365618346 287154232 /nfs/dbraw/zinc/15/42/32/287154232.db2.gz AJZMHENPMHXCKX-KRWDZBQOSA-N 2 2 313.445 3.241 20 0 DGADLP COc1cccc(CCC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365618346 287154235 /nfs/dbraw/zinc/15/42/35/287154235.db2.gz AJZMHENPMHXCKX-KRWDZBQOSA-N 2 2 313.445 3.241 20 0 DGADLP CCn1nc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c2ccccc21 ZINC000365827388 287176628 /nfs/dbraw/zinc/17/66/28/287176628.db2.gz BRODWKZUDSCXFY-HNNXBMFYSA-N 2 2 323.444 3.169 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)sc3C)CC2)c1 ZINC000171613204 432152436 /nfs/dbraw/zinc/15/24/36/432152436.db2.gz KURXWHSDDKRVSK-UHFFFAOYSA-N 2 2 317.458 3.091 20 0 DGADLP Fc1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000269323392 432162245 /nfs/dbraw/zinc/16/22/45/432162245.db2.gz FWFZEIVGMCLSOV-UHFFFAOYSA-N 2 2 315.392 3.176 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000182090473 432157959 /nfs/dbraw/zinc/15/79/59/432157959.db2.gz PPPIACIOGPDPBQ-MRXNPFEDSA-N 2 2 323.440 3.151 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000182090473 432157963 /nfs/dbraw/zinc/15/79/63/432157963.db2.gz PPPIACIOGPDPBQ-MRXNPFEDSA-N 2 2 323.440 3.151 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000246825967 432168189 /nfs/dbraw/zinc/16/81/89/432168189.db2.gz AVLURJLXDOYNHV-JTDSTZFVSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000246825967 432168190 /nfs/dbraw/zinc/16/81/90/432168190.db2.gz AVLURJLXDOYNHV-JTDSTZFVSA-N 2 2 312.461 3.217 20 0 DGADLP C[C@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129587166 196059394 /nfs/dbraw/zinc/05/93/94/196059394.db2.gz YMORQCCCHAPRDK-HOCLYGCPSA-N 2 2 323.400 3.016 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129587166 196059396 /nfs/dbraw/zinc/05/93/96/196059396.db2.gz YMORQCCCHAPRDK-HOCLYGCPSA-N 2 2 323.400 3.016 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000171859821 432179529 /nfs/dbraw/zinc/17/95/29/432179529.db2.gz POOSVCDKIYSQQY-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000171859821 432179533 /nfs/dbraw/zinc/17/95/33/432179533.db2.gz POOSVCDKIYSQQY-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000269514054 432181630 /nfs/dbraw/zinc/18/16/30/432181630.db2.gz JLMVKPJANYTBRY-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000269514054 432181633 /nfs/dbraw/zinc/18/16/33/432181633.db2.gz JLMVKPJANYTBRY-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000269514054 432181635 /nfs/dbraw/zinc/18/16/35/432181635.db2.gz JLMVKPJANYTBRY-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000269514054 432181636 /nfs/dbraw/zinc/18/16/36/432181636.db2.gz JLMVKPJANYTBRY-ZWKOTPCHSA-N 2 2 301.478 3.476 20 0 DGADLP C[C@H]1SCC[N@H+](CCC[NH+]2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246879915 432176145 /nfs/dbraw/zinc/17/61/45/432176145.db2.gz FUGZOFBMJSXJPL-NMWPEEMBSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[N@@H+](CCC[NH+]2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246879915 432176149 /nfs/dbraw/zinc/17/61/49/432176149.db2.gz FUGZOFBMJSXJPL-NMWPEEMBSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@@H+]2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246879915 432176152 /nfs/dbraw/zinc/17/61/52/432176152.db2.gz FUGZOFBMJSXJPL-NMWPEEMBSA-N 2 2 302.553 3.028 20 0 DGADLP C[C@H]1SCC[NH+](CCC[N@H+]2CCS[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246879915 432176153 /nfs/dbraw/zinc/17/61/53/432176153.db2.gz FUGZOFBMJSXJPL-NMWPEEMBSA-N 2 2 302.553 3.028 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777297 432192368 /nfs/dbraw/zinc/19/23/68/432192368.db2.gz VOGLWVDVMVMKFC-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777297 432192370 /nfs/dbraw/zinc/19/23/70/432192370.db2.gz VOGLWVDVMVMKFC-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CCC(=O)c2ccc(F)cc2)CC1 ZINC000182395609 432187657 /nfs/dbraw/zinc/18/76/57/432187657.db2.gz YVRJLWDXPCJASO-UHFFFAOYSA-N 2 2 306.425 3.205 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CCC(=O)c2ccc(F)cc2)CC1 ZINC000182395609 432187660 /nfs/dbraw/zinc/18/76/60/432187660.db2.gz YVRJLWDXPCJASO-UHFFFAOYSA-N 2 2 306.425 3.205 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190799410 432190914 /nfs/dbraw/zinc/19/09/14/432190914.db2.gz BVEPQFQBIFDWRD-UHFFFAOYSA-N 2 2 312.461 3.225 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000182522679 432199036 /nfs/dbraw/zinc/19/90/36/432199036.db2.gz CPHHOMWGYJHFNY-ZDUSSCGKSA-N 2 2 317.433 3.055 20 0 DGADLP COc1cccc([C@H](CNc2[nH+]c3ccccc3n2C)[NH+](C)C)c1 ZINC000172156352 432199635 /nfs/dbraw/zinc/19/96/35/432199635.db2.gz JVOCCRFMGNNDJV-SFHVURJKSA-N 2 2 324.428 3.297 20 0 DGADLP c1nc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)oc1-c1ccccc1 ZINC000150826630 432195066 /nfs/dbraw/zinc/19/50/66/432195066.db2.gz IVBKFURHYWXNNL-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP c1nc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)oc1-c1ccccc1 ZINC000150826630 432195071 /nfs/dbraw/zinc/19/50/71/432195071.db2.gz IVBKFURHYWXNNL-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2nccn2C)CC1 ZINC000182485682 432195908 /nfs/dbraw/zinc/19/59/08/432195908.db2.gz GLNYTXVTHAIOHC-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000150891564 432200700 /nfs/dbraw/zinc/20/07/00/432200700.db2.gz SRARGIGDBQZPDG-MRXNPFEDSA-N 2 2 300.450 3.117 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccccc1OC ZINC000182543525 432203135 /nfs/dbraw/zinc/20/31/35/432203135.db2.gz BMGCKSDAEZKSCL-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccccc1OC ZINC000182543525 432203138 /nfs/dbraw/zinc/20/31/38/432203138.db2.gz BMGCKSDAEZKSCL-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1OC ZINC000182543525 432203140 /nfs/dbraw/zinc/20/31/40/432203140.db2.gz BMGCKSDAEZKSCL-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1OC ZINC000182543525 432203145 /nfs/dbraw/zinc/20/31/45/432203145.db2.gz BMGCKSDAEZKSCL-MSOLQXFVSA-N 2 2 302.462 3.186 20 0 DGADLP Cc1ccc[nH+]c1NCc1c[nH+]c2ccc(Br)cn12 ZINC000130958245 196126825 /nfs/dbraw/zinc/12/68/25/196126825.db2.gz GRFVEBQTHUWASD-UHFFFAOYSA-N 2 2 317.190 3.412 20 0 DGADLP CN(c1ccccc1CNc1cccc[nH+]1)C1CC[NH+](C)CC1 ZINC000131160140 196145604 /nfs/dbraw/zinc/14/56/04/196145604.db2.gz ZUBDABHSLGWAIV-UHFFFAOYSA-N 2 2 310.445 3.224 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000247224532 432212291 /nfs/dbraw/zinc/21/22/91/432212291.db2.gz XWEWNSPZZRZPSM-NEWSRXKRSA-N 3 2 309.542 3.207 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000247224532 432212293 /nfs/dbraw/zinc/21/22/93/432212293.db2.gz XWEWNSPZZRZPSM-NEWSRXKRSA-N 3 2 309.542 3.207 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000191055158 432215657 /nfs/dbraw/zinc/21/56/57/432215657.db2.gz ALNFAFHMVUIRCB-SCTDSRPQSA-N 2 2 306.494 3.164 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191055158 432215662 /nfs/dbraw/zinc/21/56/62/432215662.db2.gz ALNFAFHMVUIRCB-SCTDSRPQSA-N 2 2 306.494 3.164 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471728 196171637 /nfs/dbraw/zinc/17/16/37/196171637.db2.gz IKUBPFKMNSJEHE-RYUDHWBXSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471728 196171639 /nfs/dbraw/zinc/17/16/39/196171639.db2.gz IKUBPFKMNSJEHE-RYUDHWBXSA-N 2 2 305.809 3.164 20 0 DGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000269881579 432217612 /nfs/dbraw/zinc/21/76/12/432217612.db2.gz SFZBYBREVDIIRC-QGZVFWFLSA-N 2 2 306.400 3.416 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575205 432221484 /nfs/dbraw/zinc/22/14/84/432221484.db2.gz BLRJOIAENLWSJL-SJLPKXTDSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575205 432221488 /nfs/dbraw/zinc/22/14/88/432221488.db2.gz BLRJOIAENLWSJL-SJLPKXTDSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575205 432221492 /nfs/dbraw/zinc/22/14/92/432221492.db2.gz BLRJOIAENLWSJL-SJLPKXTDSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000172575205 432221497 /nfs/dbraw/zinc/22/14/97/432221497.db2.gz BLRJOIAENLWSJL-SJLPKXTDSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccc2[nH+]c(CN3CCC[C@@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000151149374 432223191 /nfs/dbraw/zinc/22/31/91/432223191.db2.gz KEMQEXUBQXHBFC-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000151149374 432223193 /nfs/dbraw/zinc/22/31/93/432223193.db2.gz KEMQEXUBQXHBFC-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000151149374 432223196 /nfs/dbraw/zinc/22/31/96/432223196.db2.gz KEMQEXUBQXHBFC-GOSISDBHSA-N 2 2 312.461 3.093 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614239 196184439 /nfs/dbraw/zinc/18/44/39/196184439.db2.gz ZKFGATZQFQHDSG-GJZGRUSLSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614239 196184441 /nfs/dbraw/zinc/18/44/41/196184441.db2.gz ZKFGATZQFQHDSG-GJZGRUSLSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614239 196184442 /nfs/dbraw/zinc/18/44/42/196184442.db2.gz ZKFGATZQFQHDSG-GJZGRUSLSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000131614239 196184444 /nfs/dbraw/zinc/18/44/44/196184444.db2.gz ZKFGATZQFQHDSG-GJZGRUSLSA-N 2 2 308.853 3.277 20 0 DGADLP Clc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccn2)c1 ZINC000132083644 196224598 /nfs/dbraw/zinc/22/45/98/196224598.db2.gz KXYFIQMNQOAQKK-KRWDZBQOSA-N 2 2 312.804 3.311 20 0 DGADLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1F ZINC000296580110 226014789 /nfs/dbraw/zinc/01/47/89/226014789.db2.gz WTNWMBGGXYJBMY-UHFFFAOYSA-N 2 2 313.420 3.283 20 0 DGADLP Cc1cc[nH+]c(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000290473555 221680780 /nfs/dbraw/zinc/68/07/80/221680780.db2.gz APVDAWHHODNIJU-INIZCTEOSA-N 2 2 311.429 3.223 20 0 DGADLP Cc1cc[nH+]c(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000290473555 221680785 /nfs/dbraw/zinc/68/07/85/221680785.db2.gz APVDAWHHODNIJU-INIZCTEOSA-N 2 2 311.429 3.223 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC[C@@H](c1cccs1)[NH+](C)C ZINC000178799518 228346822 /nfs/dbraw/zinc/34/68/22/228346822.db2.gz YNKOTYVORLFUDP-AWEZNQCLSA-N 2 2 300.431 3.350 20 0 DGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000346313430 264007875 /nfs/dbraw/zinc/00/78/75/264007875.db2.gz QLBLNAHFBPFPOA-IRXDYDNUSA-N 2 2 305.466 3.333 20 0 DGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000346313430 264007878 /nfs/dbraw/zinc/00/78/78/264007878.db2.gz QLBLNAHFBPFPOA-IRXDYDNUSA-N 2 2 305.466 3.333 20 0 DGADLP CS[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000346329412 264011450 /nfs/dbraw/zinc/01/14/50/264011450.db2.gz MPNVZJPNAPOIPV-KRWDZBQOSA-N 2 2 321.534 3.413 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462165 264036451 /nfs/dbraw/zinc/03/64/51/264036451.db2.gz OBDPAQYVKWCIHC-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000346462165 264036452 /nfs/dbraw/zinc/03/64/52/264036452.db2.gz OBDPAQYVKWCIHC-HNAYVOBHSA-N 2 2 313.420 3.242 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000346547924 264051016 /nfs/dbraw/zinc/05/10/16/264051016.db2.gz CBSDHQYXNPCUSK-YTQUADARSA-N 2 2 302.462 3.289 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC[N@@H+]1C ZINC000346558795 264053832 /nfs/dbraw/zinc/05/38/32/264053832.db2.gz FZOSCIJRVRZUJM-DKSSEZFCSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC[N@H+]1C ZINC000346558795 264053835 /nfs/dbraw/zinc/05/38/35/264053835.db2.gz FZOSCIJRVRZUJM-DKSSEZFCSA-N 2 2 313.420 3.382 20 0 DGADLP C[C@H](CCC1CC1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000346596608 264061730 /nfs/dbraw/zinc/06/17/30/264061730.db2.gz OOFKKLHIKLBBNB-RHSMWYFYSA-N 2 2 302.466 3.213 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000346774645 264094548 /nfs/dbraw/zinc/09/45/48/264094548.db2.gz FUTLQBASISUIJO-ZOBUZTSGSA-N 2 2 320.477 3.473 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000346774645 264094550 /nfs/dbraw/zinc/09/45/50/264094550.db2.gz FUTLQBASISUIJO-ZOBUZTSGSA-N 2 2 320.477 3.473 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)[C@H](C[NH3+])C1 ZINC000346843608 264107127 /nfs/dbraw/zinc/10/71/27/264107127.db2.gz IRQXHHVAMYNNFX-KBPBESRZSA-N 2 2 318.392 3.024 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)[C@H](C[NH3+])C1 ZINC000346843608 264107129 /nfs/dbraw/zinc/10/71/29/264107129.db2.gz IRQXHHVAMYNNFX-KBPBESRZSA-N 2 2 318.392 3.024 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]21 ZINC000346849961 264109035 /nfs/dbraw/zinc/10/90/35/264109035.db2.gz GWDOKYDQZVMLAD-PSOPSSQASA-N 2 2 316.342 3.404 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3F)C[C@H]21 ZINC000346849961 264109036 /nfs/dbraw/zinc/10/90/36/264109036.db2.gz GWDOKYDQZVMLAD-PSOPSSQASA-N 2 2 316.342 3.404 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003412 264137649 /nfs/dbraw/zinc/13/76/49/264137649.db2.gz LFIPASVVHJSIKD-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000347003412 264137651 /nfs/dbraw/zinc/13/76/51/264137651.db2.gz LFIPASVVHJSIKD-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000347009903 264139157 /nfs/dbraw/zinc/13/91/57/264139157.db2.gz SPYDHSRMTQFRCY-GDBMZVCRSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000347009903 264139158 /nfs/dbraw/zinc/13/91/58/264139158.db2.gz SPYDHSRMTQFRCY-GDBMZVCRSA-N 2 2 306.450 3.186 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000347011193 264140377 /nfs/dbraw/zinc/14/03/77/264140377.db2.gz UEYGGRAMGAVLQK-BBRMVZONSA-N 2 2 307.869 3.109 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000347011193 264140379 /nfs/dbraw/zinc/14/03/79/264140379.db2.gz UEYGGRAMGAVLQK-BBRMVZONSA-N 2 2 307.869 3.109 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3C[NH3+])s2)cc1 ZINC000347040336 264146268 /nfs/dbraw/zinc/14/62/68/264146268.db2.gz HWQZZFCLCPFVDO-HNNXBMFYSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3C[NH3+])s2)cc1 ZINC000347040336 264146270 /nfs/dbraw/zinc/14/62/70/264146270.db2.gz HWQZZFCLCPFVDO-HNNXBMFYSA-N 2 2 301.459 3.432 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1OCC ZINC000347054453 264148354 /nfs/dbraw/zinc/14/83/54/264148354.db2.gz SVDXPIJRRPCFNV-GOEBONIOSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1OCC ZINC000347054453 264148355 /nfs/dbraw/zinc/14/83/55/264148355.db2.gz SVDXPIJRRPCFNV-GOEBONIOSA-N 2 2 306.450 3.186 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347085036 264154130 /nfs/dbraw/zinc/15/41/30/264154130.db2.gz WCCAVKPHDKLCNE-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000347085036 264154133 /nfs/dbraw/zinc/15/41/33/264154133.db2.gz WCCAVKPHDKLCNE-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000347085036 264154134 /nfs/dbraw/zinc/15/41/34/264154134.db2.gz WCCAVKPHDKLCNE-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000347085036 264154137 /nfs/dbraw/zinc/15/41/37/264154137.db2.gz WCCAVKPHDKLCNE-SJORKVTESA-N 2 2 317.477 3.177 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088530 264154706 /nfs/dbraw/zinc/15/47/06/264154706.db2.gz FGRIUIXUPBMTSC-OCCSQVGLSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088530 264154707 /nfs/dbraw/zinc/15/47/07/264154707.db2.gz FGRIUIXUPBMTSC-OCCSQVGLSA-N 2 2 316.367 3.329 20 0 DGADLP c1cnc2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000347095567 264155971 /nfs/dbraw/zinc/15/59/71/264155971.db2.gz RSYXEYNXRVSKKX-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP c1cnc2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000347095567 264155974 /nfs/dbraw/zinc/15/59/74/264155974.db2.gz RSYXEYNXRVSKKX-GOSISDBHSA-N 2 2 305.381 3.283 20 0 DGADLP CCCOc1c(C[NH+]2CCC([NH2+]C)CC2)cccc1OCC ZINC000347100045 264156344 /nfs/dbraw/zinc/15/63/44/264156344.db2.gz KHIOJWRQDNBHEX-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105261 264157233 /nfs/dbraw/zinc/15/72/33/264157233.db2.gz MWHDTHQVCAYUHB-DOMZBBRYSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000347105261 264157235 /nfs/dbraw/zinc/15/72/35/264157235.db2.gz MWHDTHQVCAYUHB-DOMZBBRYSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195959 264173979 /nfs/dbraw/zinc/17/39/79/264173979.db2.gz HOBSBYJKSUPJEO-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195959 264173981 /nfs/dbraw/zinc/17/39/81/264173981.db2.gz HOBSBYJKSUPJEO-GHMZBOCLSA-N 2 2 304.331 3.404 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347200613 264174505 /nfs/dbraw/zinc/17/45/05/264174505.db2.gz JVWXOIPEGXONJM-HNNXBMFYSA-N 2 2 321.896 3.372 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000347200613 264174509 /nfs/dbraw/zinc/17/45/09/264174509.db2.gz JVWXOIPEGXONJM-HNNXBMFYSA-N 2 2 321.896 3.372 20 0 DGADLP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000347362222 264206264 /nfs/dbraw/zinc/20/62/64/264206264.db2.gz OLIFSIVJOYOYSL-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000347362222 264206266 /nfs/dbraw/zinc/20/62/66/264206266.db2.gz OLIFSIVJOYOYSL-GOSISDBHSA-N 2 2 301.478 3.478 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347481251 264227678 /nfs/dbraw/zinc/22/76/78/264227678.db2.gz UMMNLJXRVODHAF-ROUUACIJSA-N 2 2 313.445 3.451 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347481251 264227679 /nfs/dbraw/zinc/22/76/79/264227679.db2.gz UMMNLJXRVODHAF-ROUUACIJSA-N 2 2 313.445 3.451 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCc3ccccc3C2)s1 ZINC000347770883 264281172 /nfs/dbraw/zinc/28/11/72/264281172.db2.gz BGCGKUDRWZIYGO-UHFFFAOYSA-N 2 2 301.459 3.153 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCc3ccccc3C2)s1 ZINC000347770883 264281174 /nfs/dbraw/zinc/28/11/74/264281174.db2.gz BGCGKUDRWZIYGO-UHFFFAOYSA-N 2 2 301.459 3.153 20 0 DGADLP CS[C@@H]1CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@@H]1[NH+](C)C ZINC000347784868 264284706 /nfs/dbraw/zinc/28/47/06/264284706.db2.gz MJDFRRHSLPKHNG-LSDHHAIUSA-N 2 2 322.522 3.205 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)s1 ZINC000347877066 264299722 /nfs/dbraw/zinc/29/97/22/264299722.db2.gz YQOKEYKFQMJDHT-GOSISDBHSA-N 2 2 315.486 3.368 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)s1 ZINC000347877066 264299725 /nfs/dbraw/zinc/29/97/25/264299725.db2.gz YQOKEYKFQMJDHT-GOSISDBHSA-N 2 2 315.486 3.368 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000347924768 264306257 /nfs/dbraw/zinc/30/62/57/264306257.db2.gz RHMZERHRSLPSQH-UHFFFAOYSA-N 3 2 303.494 3.424 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960073 264314654 /nfs/dbraw/zinc/31/46/54/264314654.db2.gz OZEXVYUTVLXIHE-ZFWWWQNUSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960073 264314655 /nfs/dbraw/zinc/31/46/55/264314655.db2.gz OZEXVYUTVLXIHE-ZFWWWQNUSA-N 2 2 303.450 3.295 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000347998380 264321209 /nfs/dbraw/zinc/32/12/09/264321209.db2.gz IOCXVOKPXPSAFU-AEFFLSMTSA-N 2 2 304.503 3.481 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000347998380 264321210 /nfs/dbraw/zinc/32/12/10/264321210.db2.gz IOCXVOKPXPSAFU-AEFFLSMTSA-N 2 2 304.503 3.481 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000348008493 264322225 /nfs/dbraw/zinc/32/22/25/264322225.db2.gz IHEPISRWOOOHQO-LSDHHAIUSA-N 3 2 300.450 3.172 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047551 264328415 /nfs/dbraw/zinc/32/84/15/264328415.db2.gz SWBSRQBFYUWVAZ-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000348047551 264328416 /nfs/dbraw/zinc/32/84/16/264328416.db2.gz SWBSRQBFYUWVAZ-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000348047551 264328418 /nfs/dbraw/zinc/32/84/18/264328418.db2.gz SWBSRQBFYUWVAZ-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP CC[NH+](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000348047551 264328420 /nfs/dbraw/zinc/32/84/20/264328420.db2.gz SWBSRQBFYUWVAZ-ICSRJNTNSA-N 3 2 317.521 3.217 20 0 DGADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000348087889 264337389 /nfs/dbraw/zinc/33/73/89/264337389.db2.gz WSQAUPAQAOKCNG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1OC ZINC000348087889 264337391 /nfs/dbraw/zinc/33/73/91/264337391.db2.gz WSQAUPAQAOKCNG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1OC ZINC000348087889 264337393 /nfs/dbraw/zinc/33/73/93/264337393.db2.gz WSQAUPAQAOKCNG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1OC ZINC000348087889 264337395 /nfs/dbraw/zinc/33/73/95/264337395.db2.gz WSQAUPAQAOKCNG-MRXNPFEDSA-N 2 2 306.450 3.010 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000348185808 264360014 /nfs/dbraw/zinc/36/00/14/264360014.db2.gz KTADGSQWYVMRFT-YPMHNXCESA-N 2 2 305.422 3.410 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC000348302055 264384848 /nfs/dbraw/zinc/38/48/48/264384848.db2.gz LILWQLGNNJLKNP-HZPDHXFCSA-N 2 2 321.513 3.023 20 0 DGADLP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000348355084 264395386 /nfs/dbraw/zinc/39/53/86/264395386.db2.gz JXKQIXRURMXXHB-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000348355084 264395387 /nfs/dbraw/zinc/39/53/87/264395387.db2.gz JXKQIXRURMXXHB-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000348355084 264395388 /nfs/dbraw/zinc/39/53/88/264395388.db2.gz JXKQIXRURMXXHB-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000348355084 264395389 /nfs/dbraw/zinc/39/53/89/264395389.db2.gz JXKQIXRURMXXHB-BGYRXZFFSA-N 2 2 321.468 3.208 20 0 DGADLP Cc1[nH]nc2ncc(C[NH2+][C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc12 ZINC000349630547 264535609 /nfs/dbraw/zinc/53/56/09/264535609.db2.gz MNQOUTJOZXBPBK-KSSFIOAISA-N 2 2 323.444 3.047 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351853536 264835438 /nfs/dbraw/zinc/83/54/38/264835438.db2.gz ORLAKGFBYOQQRK-GMXVVIOVSA-N 2 2 320.824 3.120 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351853536 264835443 /nfs/dbraw/zinc/83/54/43/264835443.db2.gz ORLAKGFBYOQQRK-GMXVVIOVSA-N 2 2 320.824 3.120 20 0 DGADLP CCn1nccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000352341901 265006414 /nfs/dbraw/zinc/00/64/14/265006414.db2.gz LMTYUZRKAQZXCW-UHFFFAOYSA-N 2 2 309.417 3.029 20 0 DGADLP CCn1nccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000352341901 265006417 /nfs/dbraw/zinc/00/64/17/265006417.db2.gz LMTYUZRKAQZXCW-UHFFFAOYSA-N 2 2 309.417 3.029 20 0 DGADLP CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352450591 265053887 /nfs/dbraw/zinc/05/38/87/265053887.db2.gz RWXBCTWXNFRTOP-UHFFFAOYSA-N 2 2 312.211 3.151 20 0 DGADLP CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352450591 265053888 /nfs/dbraw/zinc/05/38/88/265053888.db2.gz RWXBCTWXNFRTOP-UHFFFAOYSA-N 2 2 312.211 3.151 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000352517379 265075980 /nfs/dbraw/zinc/07/59/80/265075980.db2.gz CRHVMQYSRZONKX-CQSZACIVSA-N 2 2 321.371 3.323 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000352517379 265075983 /nfs/dbraw/zinc/07/59/83/265075983.db2.gz CRHVMQYSRZONKX-CQSZACIVSA-N 2 2 321.371 3.323 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352526064 265078668 /nfs/dbraw/zinc/07/86/68/265078668.db2.gz JVWWORNTHBHMEK-LJQANCHMSA-N 2 2 312.461 3.022 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352526064 265078673 /nfs/dbraw/zinc/07/86/73/265078673.db2.gz JVWWORNTHBHMEK-LJQANCHMSA-N 2 2 312.461 3.022 20 0 DGADLP c1nc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000352534343 265082022 /nfs/dbraw/zinc/08/20/22/265082022.db2.gz FPHGVFJYLAEIHM-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP c1nc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000352534343 265082025 /nfs/dbraw/zinc/08/20/25/265082025.db2.gz FPHGVFJYLAEIHM-SFHVURJKSA-N 2 2 313.470 3.386 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000352732997 265145230 /nfs/dbraw/zinc/14/52/30/265145230.db2.gz BAWLRLYZIOJKMV-OXJNMPFZSA-N 2 2 309.457 3.254 20 0 DGADLP CCc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000352732997 265145233 /nfs/dbraw/zinc/14/52/33/265145233.db2.gz BAWLRLYZIOJKMV-OXJNMPFZSA-N 2 2 309.457 3.254 20 0 DGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749668 265150587 /nfs/dbraw/zinc/15/05/87/265150587.db2.gz NQXWNEJSMVWFHP-PXAZEXFGSA-N 2 2 301.459 3.228 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CSc3ccccc32)s1 ZINC000352757684 265154653 /nfs/dbraw/zinc/15/46/53/265154653.db2.gz VKPVFQOOBBHDCW-CYBMUJFWSA-N 2 2 305.472 3.141 20 0 DGADLP COc1ccccc1C(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352811458 265177650 /nfs/dbraw/zinc/17/76/50/265177650.db2.gz DJFFVCORCCAPTJ-UHFFFAOYSA-N 2 2 319.474 3.238 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000352822234 265184329 /nfs/dbraw/zinc/18/43/29/265184329.db2.gz DZIQMAAVNCZVPO-ZDUSSCGKSA-N 2 2 319.836 3.234 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000352822234 265184332 /nfs/dbraw/zinc/18/43/32/265184332.db2.gz DZIQMAAVNCZVPO-ZDUSSCGKSA-N 2 2 319.836 3.234 20 0 DGADLP C[C@H](C[NH2+]Cc1cscc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000352836886 265189730 /nfs/dbraw/zinc/18/97/30/265189730.db2.gz XSCIYHAJWUUUMC-SNVBAGLBSA-N 2 2 303.353 3.389 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCn1cc[nH+]c1 ZINC000352843328 265194693 /nfs/dbraw/zinc/19/46/93/265194693.db2.gz YVFHNJSJSCULJV-RAXLEYEMSA-N 2 2 307.344 3.178 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851543 265198381 /nfs/dbraw/zinc/19/83/81/265198381.db2.gz ZNQWWPXAZQNICP-NOZJJQNGSA-N 2 2 304.381 3.339 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000352851543 265198383 /nfs/dbraw/zinc/19/83/83/265198383.db2.gz ZNQWWPXAZQNICP-NOZJJQNGSA-N 2 2 304.381 3.339 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000352927179 265233134 /nfs/dbraw/zinc/23/31/34/265233134.db2.gz ZVEHHPMSRMRWHJ-WBVHZDCISA-N 2 2 318.461 3.001 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000352927179 265233137 /nfs/dbraw/zinc/23/31/37/265233137.db2.gz ZVEHHPMSRMRWHJ-WBVHZDCISA-N 2 2 318.461 3.001 20 0 DGADLP CC(=O)N1CC[C@@H]([NH2+]CCc2cc[nH+]cc2C)c2ccccc2C1 ZINC000352989537 265256500 /nfs/dbraw/zinc/25/65/00/265256500.db2.gz MAOWAAQLVJUIPD-HXUWFJFHSA-N 2 2 323.440 3.016 20 0 DGADLP COCC1(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)CCCCC1 ZINC000353113372 265301723 /nfs/dbraw/zinc/30/17/23/265301723.db2.gz KONMCUZINMCJLB-UHFFFAOYSA-N 2 2 301.434 3.329 20 0 DGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCC34CCCC4)[nH+]c2)C1 ZINC000353290239 265376203 /nfs/dbraw/zinc/37/62/03/265376203.db2.gz KZMUUFXMDBWGEV-IAGOWNOFSA-N 2 2 314.477 3.357 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2OC)[C@@H](C)C1 ZINC000353319974 265386798 /nfs/dbraw/zinc/38/67/98/265386798.db2.gz HIYAYPLCFOXJEZ-DZGCQCFKSA-N 2 2 302.418 3.261 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2oc3ccccc3c2OC)[C@@H](C)C1 ZINC000353319974 265386803 /nfs/dbraw/zinc/38/68/03/265386803.db2.gz HIYAYPLCFOXJEZ-DZGCQCFKSA-N 2 2 302.418 3.261 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)cc(C)c3)CC2)c1 ZINC000353330729 265391440 /nfs/dbraw/zinc/39/14/40/265391440.db2.gz OTJFEDDUGZVMQI-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000356087776 266280046 /nfs/dbraw/zinc/28/00/46/266280046.db2.gz BMMBJNOZCAIMKD-LBPRGKRZSA-N 2 2 316.367 3.185 20 0 DGADLP C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000356087776 266280047 /nfs/dbraw/zinc/28/00/47/266280047.db2.gz BMMBJNOZCAIMKD-LBPRGKRZSA-N 2 2 316.367 3.185 20 0 DGADLP C[NH+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000356087776 266280048 /nfs/dbraw/zinc/28/00/48/266280048.db2.gz BMMBJNOZCAIMKD-LBPRGKRZSA-N 2 2 316.367 3.185 20 0 DGADLP C[NH+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000356087776 266280049 /nfs/dbraw/zinc/28/00/49/266280049.db2.gz BMMBJNOZCAIMKD-LBPRGKRZSA-N 2 2 316.367 3.185 20 0 DGADLP CCc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000603390243 425066493 /nfs/dbraw/zinc/06/64/93/425066493.db2.gz FQVRDFZRUWYWBY-QGZVFWFLSA-N 2 2 310.445 3.016 20 0 DGADLP CCc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc[nH+]1 ZINC000603390243 425066495 /nfs/dbraw/zinc/06/64/95/425066495.db2.gz FQVRDFZRUWYWBY-QGZVFWFLSA-N 2 2 310.445 3.016 20 0 DGADLP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000359871961 271005725 /nfs/dbraw/zinc/00/57/25/271005725.db2.gz KKAZSLJUUKJSRF-SFHVURJKSA-N 2 2 322.468 3.177 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC000359903408 271015037 /nfs/dbraw/zinc/01/50/37/271015037.db2.gz QTRDWBFYFOCKFO-HDICACEKSA-N 2 2 322.456 3.168 20 0 DGADLP CC(C)c1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC000359903408 271015040 /nfs/dbraw/zinc/01/50/40/271015040.db2.gz QTRDWBFYFOCKFO-HDICACEKSA-N 2 2 322.456 3.168 20 0 DGADLP Cc1ccc2cc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)ccc2n1 ZINC000367698840 271065673 /nfs/dbraw/zinc/06/56/73/271065673.db2.gz GEIYJSLUVCPAPT-KRWDZBQOSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)ccc2n1 ZINC000367698840 271065677 /nfs/dbraw/zinc/06/56/77/271065677.db2.gz GEIYJSLUVCPAPT-KRWDZBQOSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000367697892 271066237 /nfs/dbraw/zinc/06/62/37/271066237.db2.gz DJTSXLRTWVBDLM-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000367697892 271066241 /nfs/dbraw/zinc/06/62/41/271066241.db2.gz DJTSXLRTWVBDLM-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000367697892 271066245 /nfs/dbraw/zinc/06/62/45/271066245.db2.gz DJTSXLRTWVBDLM-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000367697892 271066250 /nfs/dbraw/zinc/06/62/50/271066250.db2.gz DJTSXLRTWVBDLM-AEFFLSMTSA-N 2 2 318.509 3.171 20 0 DGADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367697236 271066641 /nfs/dbraw/zinc/06/66/41/271066641.db2.gz CBKWEFAGWRWVFY-GOEBONIOSA-N 2 2 301.409 3.370 20 0 DGADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367697236 271066643 /nfs/dbraw/zinc/06/66/43/271066643.db2.gz CBKWEFAGWRWVFY-GOEBONIOSA-N 2 2 301.409 3.370 20 0 DGADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368142176 271142575 /nfs/dbraw/zinc/14/25/75/271142575.db2.gz IXSRRIKTGSSANE-MGPUTAFESA-N 2 2 323.440 3.158 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000369682236 271310572 /nfs/dbraw/zinc/31/05/72/271310572.db2.gz CKZBNKOZFNPGSB-GFCCVEGCSA-N 2 2 309.335 3.217 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000369682236 271310575 /nfs/dbraw/zinc/31/05/75/271310575.db2.gz CKZBNKOZFNPGSB-GFCCVEGCSA-N 2 2 309.335 3.217 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000370388282 271356211 /nfs/dbraw/zinc/35/62/11/271356211.db2.gz SOLZREMYRZLFCI-APWZRJJASA-N 2 2 320.440 3.087 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000370388282 271356215 /nfs/dbraw/zinc/35/62/15/271356215.db2.gz SOLZREMYRZLFCI-APWZRJJASA-N 2 2 320.440 3.087 20 0 DGADLP COc1cccc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000371983062 271494320 /nfs/dbraw/zinc/49/43/20/271494320.db2.gz DNSBAYLTOGDZOP-QGZVFWFLSA-N 2 2 311.429 3.048 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247958355 432256232 /nfs/dbraw/zinc/25/62/32/432256232.db2.gz FXMXCFZGKUQRPR-LMMKCTJWSA-N 3 2 317.521 3.436 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000247958355 432256236 /nfs/dbraw/zinc/25/62/36/432256236.db2.gz FXMXCFZGKUQRPR-LMMKCTJWSA-N 3 2 317.521 3.436 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423060164 274230003 /nfs/dbraw/zinc/23/00/03/274230003.db2.gz HJHALEALYRLAFJ-GVXVVHGQSA-N 2 2 317.260 3.411 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)[C@@H]1CCC[NH2+]1 ZINC000422960372 274262861 /nfs/dbraw/zinc/26/28/61/274262861.db2.gz WBUJHYIGCGZWIO-ONERCXAPSA-N 2 2 309.251 3.167 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1Cl ZINC000271530712 274510351 /nfs/dbraw/zinc/51/03/51/274510351.db2.gz RAHKEXKJJDSYIL-DOPJRALCSA-N 2 2 322.880 3.368 20 0 DGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnns2)CC1 ZINC000296107564 274850792 /nfs/dbraw/zinc/85/07/92/274850792.db2.gz VAMILTQIJRZPRF-UHFFFAOYSA-N 2 2 313.430 3.033 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO2)cc1 ZINC000298444780 275068623 /nfs/dbraw/zinc/06/86/23/275068623.db2.gz NSLPOQBZQMZPHR-MOPGFXCFSA-N 2 2 300.446 3.123 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCCC2 ZINC000423209525 275372404 /nfs/dbraw/zinc/37/24/04/275372404.db2.gz GICUIFWBEYPACE-DZGCQCFKSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000247995100 432260614 /nfs/dbraw/zinc/26/06/14/432260614.db2.gz JVMHJVIWKJJNQP-MBOZVWFJSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000247995100 432260620 /nfs/dbraw/zinc/26/06/20/432260620.db2.gz JVMHJVIWKJJNQP-MBOZVWFJSA-N 3 2 315.505 3.284 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422985080 275512890 /nfs/dbraw/zinc/51/28/90/275512890.db2.gz BZKOUQSIHSICNT-RTBURBONSA-N 3 2 315.505 3.332 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000414851025 275749843 /nfs/dbraw/zinc/74/98/43/275749843.db2.gz STOFUGXNZHVTOK-MKXGPGLRSA-N 2 2 314.473 3.357 20 0 DGADLP CC(C)[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259443 276016540 /nfs/dbraw/zinc/01/65/40/276016540.db2.gz PKZUFLRIKQSQLO-QUCCMNQESA-N 2 2 316.489 3.080 20 0 DGADLP CC(C)[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474259443 276016541 /nfs/dbraw/zinc/01/65/41/276016541.db2.gz PKZUFLRIKQSQLO-QUCCMNQESA-N 2 2 316.489 3.080 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076992 276243449 /nfs/dbraw/zinc/24/34/49/276243449.db2.gz YOBBQAIQJZUKGK-YLJYHZDGSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000343076992 276243450 /nfs/dbraw/zinc/24/34/50/276243450.db2.gz YOBBQAIQJZUKGK-YLJYHZDGSA-N 3 2 315.505 3.102 20 0 DGADLP CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435389701 276355417 /nfs/dbraw/zinc/35/54/17/276355417.db2.gz LZSVHKAWVJWUMP-AWEZNQCLSA-N 2 2 320.868 3.191 20 0 DGADLP CC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435389701 276355420 /nfs/dbraw/zinc/35/54/20/276355420.db2.gz LZSVHKAWVJWUMP-AWEZNQCLSA-N 2 2 320.868 3.191 20 0 DGADLP COCCCNc1ccc(-c2cc(C[NH+](C)C)ccc2F)c[nH+]1 ZINC000629736424 429961915 /nfs/dbraw/zinc/96/19/15/429961915.db2.gz GEKQQJBXMWKFBS-UHFFFAOYSA-N 2 2 317.408 3.398 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)c1ccccc1 ZINC000421801149 276827485 /nfs/dbraw/zinc/82/74/85/276827485.db2.gz KAQGCLPQJDQVPK-ICSRJNTNSA-N 2 2 309.457 3.222 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000040592029 277275609 /nfs/dbraw/zinc/27/56/09/277275609.db2.gz VGIPIGCDMFVNAE-LBPRGKRZSA-N 2 2 302.340 3.017 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000040592029 277275610 /nfs/dbraw/zinc/27/56/10/277275610.db2.gz VGIPIGCDMFVNAE-LBPRGKRZSA-N 2 2 302.340 3.017 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422718059 277624213 /nfs/dbraw/zinc/62/42/13/277624213.db2.gz WTKJLWKHNVJXCK-XLIONFOSSA-N 3 2 315.505 3.293 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@@H+]1CCCC[C@H]1C ZINC000421820984 278285610 /nfs/dbraw/zinc/28/56/10/278285610.db2.gz OSHAMZKSUCIGHB-SOLBZPMBSA-N 2 2 301.478 3.182 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[N@H+]1CCCC[C@H]1C ZINC000421820984 278285612 /nfs/dbraw/zinc/28/56/12/278285612.db2.gz OSHAMZKSUCIGHB-SOLBZPMBSA-N 2 2 301.478 3.182 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033084 278317806 /nfs/dbraw/zinc/31/78/06/278317806.db2.gz ZAFSSKSSCYUESV-OCCSQVGLSA-N 2 2 324.852 3.061 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033084 278317807 /nfs/dbraw/zinc/31/78/07/278317807.db2.gz ZAFSSKSSCYUESV-OCCSQVGLSA-N 2 2 324.852 3.061 20 0 DGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000134121818 278353743 /nfs/dbraw/zinc/35/37/43/278353743.db2.gz YPWADZTZVIKSCK-VQIMIIECSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)[nH+]1 ZINC000183881893 278830613 /nfs/dbraw/zinc/83/06/13/278830613.db2.gz UMTNCGRDTRHXMX-AWEZNQCLSA-N 2 2 304.438 3.084 20 0 DGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422740795 279061972 /nfs/dbraw/zinc/06/19/72/279061972.db2.gz NFJYGZOZLALGAI-IINYFYTJSA-N 2 2 305.422 3.270 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040227402 279388482 /nfs/dbraw/zinc/38/84/82/279388482.db2.gz JFBSVELMQMWDKE-IAQYHMDHSA-N 2 2 320.234 3.311 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000069228814 431170798 /nfs/dbraw/zinc/17/07/98/431170798.db2.gz LDHPMBZYIYXDNE-UHFFFAOYSA-N 2 2 316.836 3.069 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802456 431223379 /nfs/dbraw/zinc/22/33/79/431223379.db2.gz VUKWCDUZLIHWPK-HZPDHXFCSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802456 431223386 /nfs/dbraw/zinc/22/33/86/431223386.db2.gz VUKWCDUZLIHWPK-HZPDHXFCSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857332 431228902 /nfs/dbraw/zinc/22/89/02/431228902.db2.gz WMVLJZCIEIWTSH-JKSUJKDBSA-N 2 2 322.880 3.445 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857332 431228908 /nfs/dbraw/zinc/22/89/08/431228908.db2.gz WMVLJZCIEIWTSH-JKSUJKDBSA-N 2 2 322.880 3.445 20 0 DGADLP Fc1ccc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000071837993 431298051 /nfs/dbraw/zinc/29/80/51/431298051.db2.gz PFMYHDVECSOOHQ-UHFFFAOYSA-N 2 2 324.403 3.414 20 0 DGADLP Fc1ccc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000071837993 431298060 /nfs/dbraw/zinc/29/80/60/431298060.db2.gz PFMYHDVECSOOHQ-UHFFFAOYSA-N 2 2 324.403 3.414 20 0 DGADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071142049 431273377 /nfs/dbraw/zinc/27/33/77/431273377.db2.gz VMSFYGIDMLHUOZ-DOMZBBRYSA-N 2 2 311.267 3.442 20 0 DGADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071142049 431273385 /nfs/dbraw/zinc/27/33/85/431273385.db2.gz VMSFYGIDMLHUOZ-DOMZBBRYSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000113515184 431352473 /nfs/dbraw/zinc/35/24/73/431352473.db2.gz UUYDFONACMRZDS-GFCCVEGCSA-N 2 2 321.371 3.003 20 0 DGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000113515184 431352477 /nfs/dbraw/zinc/35/24/77/431352477.db2.gz UUYDFONACMRZDS-GFCCVEGCSA-N 2 2 321.371 3.003 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000113514365 431352804 /nfs/dbraw/zinc/35/28/04/431352804.db2.gz IQFHKIVVLRFLIJ-ZDUSSCGKSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000113514365 431352810 /nfs/dbraw/zinc/35/28/10/431352810.db2.gz IQFHKIVVLRFLIJ-ZDUSSCGKSA-N 2 2 319.449 3.333 20 0 DGADLP CCc1noc([C@H](C)[NH2+]Cc2cccc(C[NH+](CC)CC)c2)n1 ZINC000114748630 431411588 /nfs/dbraw/zinc/41/15/88/431411588.db2.gz CKYNLMJFRWVBFM-AWEZNQCLSA-N 2 2 316.449 3.325 20 0 DGADLP CCSCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108637 431526618 /nfs/dbraw/zinc/52/66/18/431526618.db2.gz GUJDNFWAVGPDML-UHFFFAOYSA-N 2 2 307.507 3.373 20 0 DGADLP CCSCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108637 431526621 /nfs/dbraw/zinc/52/66/21/431526621.db2.gz GUJDNFWAVGPDML-UHFFFAOYSA-N 2 2 307.507 3.373 20 0 DGADLP Cc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076110096 431527651 /nfs/dbraw/zinc/52/76/51/431527651.db2.gz IYFTWRYOPQREQG-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076110096 431527657 /nfs/dbraw/zinc/52/76/57/431527657.db2.gz IYFTWRYOPQREQG-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000076110096 431527662 /nfs/dbraw/zinc/52/76/62/431527662.db2.gz IYFTWRYOPQREQG-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000076110096 431527669 /nfs/dbraw/zinc/52/76/69/431527669.db2.gz IYFTWRYOPQREQG-KRWDZBQOSA-N 2 2 315.486 3.405 20 0 DGADLP CC[N@H+](CCCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108611 431528857 /nfs/dbraw/zinc/52/88/57/431528857.db2.gz QQPFOHUSJQDOQY-UHFFFAOYSA-N 2 2 305.466 3.047 20 0 DGADLP CC[N@@H+](CCCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108611 431528861 /nfs/dbraw/zinc/52/88/61/431528861.db2.gz QQPFOHUSJQDOQY-UHFFFAOYSA-N 2 2 305.466 3.047 20 0 DGADLP CC[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187754772 280146265 /nfs/dbraw/zinc/14/62/65/280146265.db2.gz LTZFEMFEGLDKKR-IRXDYDNUSA-N 2 2 316.424 3.102 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000423455500 280166176 /nfs/dbraw/zinc/16/61/76/280166176.db2.gz COOJRZKQRKQBCS-OLZOCXBDSA-N 2 2 306.397 3.436 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000134067592 280189091 /nfs/dbraw/zinc/18/90/91/280189091.db2.gz BGDSMRZGTREMAN-MOPGFXCFSA-N 2 2 312.461 3.298 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)[nH+]1 ZINC000455493894 280392731 /nfs/dbraw/zinc/39/27/31/280392731.db2.gz DFRITYSWWYVOLJ-HOTGVXAUSA-N 2 2 316.449 3.097 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119133979 431650437 /nfs/dbraw/zinc/65/04/37/431650437.db2.gz HOXBPIYIWNLRFO-IEBWSBKVSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119133979 431650442 /nfs/dbraw/zinc/65/04/42/431650442.db2.gz HOXBPIYIWNLRFO-IEBWSBKVSA-N 2 2 324.472 3.052 20 0 DGADLP Cc1ccc(-c2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)on2)cc1 ZINC000118843427 431620345 /nfs/dbraw/zinc/62/03/45/431620345.db2.gz QCSGUNVJZBMVML-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)on2)cc1 ZINC000118843427 431620352 /nfs/dbraw/zinc/62/03/52/431620352.db2.gz QCSGUNVJZBMVML-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)on2)cc1 ZINC000118843427 431620357 /nfs/dbraw/zinc/62/03/57/431620357.db2.gz QCSGUNVJZBMVML-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1ccc(-c2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)on2)cc1 ZINC000118843427 431620364 /nfs/dbraw/zinc/62/03/64/431620364.db2.gz QCSGUNVJZBMVML-INIZCTEOSA-N 2 2 313.445 3.424 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841612 431620849 /nfs/dbraw/zinc/62/08/49/431620849.db2.gz HUBFMWAVXHYYNN-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841612 431620853 /nfs/dbraw/zinc/62/08/53/431620853.db2.gz HUBFMWAVXHYYNN-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841612 431620856 /nfs/dbraw/zinc/62/08/56/431620856.db2.gz HUBFMWAVXHYYNN-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841612 431620860 /nfs/dbraw/zinc/62/08/60/431620860.db2.gz HUBFMWAVXHYYNN-CQSZACIVSA-N 2 2 319.474 3.485 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843421 431622489 /nfs/dbraw/zinc/62/24/89/431622489.db2.gz JOTKAXPVZKQMPU-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843421 431622495 /nfs/dbraw/zinc/62/24/95/431622495.db2.gz JOTKAXPVZKQMPU-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843421 431622499 /nfs/dbraw/zinc/62/24/99/431622499.db2.gz JOTKAXPVZKQMPU-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843421 431622505 /nfs/dbraw/zinc/62/25/05/431622505.db2.gz JOTKAXPVZKQMPU-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP Cc1cc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000119282071 431671773 /nfs/dbraw/zinc/67/17/73/431671773.db2.gz JNKFSOMBPJMPPA-HUUCEWRRSA-N 2 2 318.465 3.270 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000120887780 431736793 /nfs/dbraw/zinc/73/67/93/431736793.db2.gz PKUWJKCJIXPPNO-QFBILLFUSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121453775 431789836 /nfs/dbraw/zinc/78/98/36/431789836.db2.gz HKIDCMGLRKUTTK-AWEZNQCLSA-N 2 2 309.417 3.187 20 0 DGADLP CCN(CC)[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000122175898 431818662 /nfs/dbraw/zinc/81/86/62/431818662.db2.gz FLABPKNPYLMFTL-SFHVURJKSA-N 2 2 323.912 3.407 20 0 DGADLP CC[NH+](CC)[C@@H](CNC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000122175898 431818664 /nfs/dbraw/zinc/81/86/64/431818664.db2.gz FLABPKNPYLMFTL-SFHVURJKSA-N 2 2 323.912 3.407 20 0 DGADLP C[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000038087766 431854892 /nfs/dbraw/zinc/85/48/92/431854892.db2.gz NUKBSVQYIIXPNQ-NUYPLMSZSA-N 2 2 311.267 3.235 20 0 DGADLP c1ccc(Oc2ccc(OCC[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000041563942 431860170 /nfs/dbraw/zinc/86/01/70/431860170.db2.gz PLECGBUMNXDJKF-UHFFFAOYSA-N 2 2 312.413 3.153 20 0 DGADLP c1ccc(Oc2ccc(OCC[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000041563942 431860172 /nfs/dbraw/zinc/86/01/72/431860172.db2.gz PLECGBUMNXDJKF-UHFFFAOYSA-N 2 2 312.413 3.153 20 0 DGADLP COC(=O)c1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)s1 ZINC000089131290 431860761 /nfs/dbraw/zinc/86/07/61/431860761.db2.gz SBPUOSTXRRPEJL-HNNXBMFYSA-N 2 2 324.490 3.149 20 0 DGADLP COC(=O)c1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)s1 ZINC000089131290 431860763 /nfs/dbraw/zinc/86/07/63/431860763.db2.gz SBPUOSTXRRPEJL-HNNXBMFYSA-N 2 2 324.490 3.149 20 0 DGADLP COC(=O)c1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)s1 ZINC000089131290 431860765 /nfs/dbraw/zinc/86/07/65/431860765.db2.gz SBPUOSTXRRPEJL-HNNXBMFYSA-N 2 2 324.490 3.149 20 0 DGADLP COC(=O)c1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)s1 ZINC000089131290 431860767 /nfs/dbraw/zinc/86/07/67/431860767.db2.gz SBPUOSTXRRPEJL-HNNXBMFYSA-N 2 2 324.490 3.149 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427388 431865616 /nfs/dbraw/zinc/86/56/16/431865616.db2.gz DBUSQURYZYVVJU-MOPGFXCFSA-N 3 2 307.526 3.059 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427388 431865617 /nfs/dbraw/zinc/86/56/17/431865617.db2.gz DBUSQURYZYVVJU-MOPGFXCFSA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427388 431865620 /nfs/dbraw/zinc/86/56/20/431865620.db2.gz DBUSQURYZYVVJU-MOPGFXCFSA-N 3 2 307.526 3.059 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089427388 431865622 /nfs/dbraw/zinc/86/56/22/431865622.db2.gz DBUSQURYZYVVJU-MOPGFXCFSA-N 3 2 307.526 3.059 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000123640722 431870554 /nfs/dbraw/zinc/87/05/54/431870554.db2.gz BLPYBNXHRMVOGE-CQSZACIVSA-N 2 2 316.449 3.160 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000123640722 431870555 /nfs/dbraw/zinc/87/05/55/431870555.db2.gz BLPYBNXHRMVOGE-CQSZACIVSA-N 2 2 316.449 3.160 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000125145186 431915674 /nfs/dbraw/zinc/91/56/74/431915674.db2.gz JHQARGHMGIHVCL-UHFFFAOYSA-N 3 2 312.461 3.226 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000125226439 431918652 /nfs/dbraw/zinc/91/86/52/431918652.db2.gz JUSQVENPUHBXLX-UHFFFAOYSA-N 2 2 314.477 3.362 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000125226439 431918655 /nfs/dbraw/zinc/91/86/55/431918655.db2.gz JUSQVENPUHBXLX-UHFFFAOYSA-N 2 2 314.477 3.362 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Br ZINC000124227265 431886986 /nfs/dbraw/zinc/88/69/86/431886986.db2.gz FZHNXPDSJPVLFT-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Br ZINC000124227265 431886987 /nfs/dbraw/zinc/88/69/87/431886987.db2.gz FZHNXPDSJPVLFT-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP CCCC[C@@H](COC)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667557 431894184 /nfs/dbraw/zinc/89/41/84/431894184.db2.gz UQZDRODXQZPXKQ-LPHOPBHVSA-N 2 2 319.493 3.402 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000090720691 431894746 /nfs/dbraw/zinc/89/47/46/431894746.db2.gz XJKQGRLXTFULSF-ZJUUUORDSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)CC[N@H+]1C ZINC000090720691 431894747 /nfs/dbraw/zinc/89/47/47/431894747.db2.gz XJKQGRLXTFULSF-ZJUUUORDSA-N 2 2 303.269 3.083 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914260 431897131 /nfs/dbraw/zinc/89/71/31/431897131.db2.gz FQZZMCGHPOUMQU-RLLQIKCJSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914260 431897133 /nfs/dbraw/zinc/89/71/33/431897133.db2.gz FQZZMCGHPOUMQU-RLLQIKCJSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000090914200 431897623 /nfs/dbraw/zinc/89/76/23/431897623.db2.gz UBQUPZIFNBUGIH-UIFIKXQLSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000090914200 431897624 /nfs/dbraw/zinc/89/76/24/431897624.db2.gz UBQUPZIFNBUGIH-UIFIKXQLSA-N 2 2 324.468 3.281 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000125541240 431928913 /nfs/dbraw/zinc/92/89/13/431928913.db2.gz CDAQIPNAMKEQTB-NSHDSACASA-N 2 2 304.406 3.119 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000125541240 431928915 /nfs/dbraw/zinc/92/89/15/431928915.db2.gz CDAQIPNAMKEQTB-NSHDSACASA-N 2 2 304.406 3.119 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@H](C)C1 ZINC000125930442 431939098 /nfs/dbraw/zinc/93/90/98/431939098.db2.gz YSDRKPSQIXSKNN-MLGOLLRUSA-N 2 2 308.853 3.095 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)[C@H](C)C1 ZINC000125930442 431939100 /nfs/dbraw/zinc/93/91/00/431939100.db2.gz YSDRKPSQIXSKNN-MLGOLLRUSA-N 2 2 308.853 3.095 20 0 DGADLP COc1ccc2oc(C[NH2+]CCCNc3cccc[nH+]3)cc2c1 ZINC000126426091 431949458 /nfs/dbraw/zinc/94/94/58/431949458.db2.gz QENHBIIRAHTKAZ-UHFFFAOYSA-N 2 2 311.385 3.428 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]CC2=CCCOC2)c2ccccc2)CC1 ZINC000126718226 431956312 /nfs/dbraw/zinc/95/63/12/431956312.db2.gz OSUZGNGEXKGPOX-HXUWFJFHSA-N 2 2 314.473 3.396 20 0 DGADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)[C@H](C)C2 ZINC000423228668 281098373 /nfs/dbraw/zinc/09/83/73/281098373.db2.gz DOOCTOUQHWCXRE-QRWLVFNGSA-N 2 2 322.456 3.145 20 0 DGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3nccs3)CC2)cc1 ZINC000128165065 431988928 /nfs/dbraw/zinc/98/89/28/431988928.db2.gz VFXDWCQVAVDPPC-UHFFFAOYSA-N 2 2 319.449 3.079 20 0 DGADLP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338483 281399141 /nfs/dbraw/zinc/39/91/41/281399141.db2.gz PUJRWOBZDUECTF-HOTGVXAUSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338483 281399142 /nfs/dbraw/zinc/39/91/42/281399142.db2.gz PUJRWOBZDUECTF-HOTGVXAUSA-N 2 2 312.461 3.173 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183253902 432274758 /nfs/dbraw/zinc/27/47/58/432274758.db2.gz OHAFASYHZPLHOZ-CYBMUJFWSA-N 2 2 312.404 3.116 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000191538589 432276166 /nfs/dbraw/zinc/27/61/66/432276166.db2.gz SKKYSWYNDAQGNU-OCCSQVGLSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000191538589 432276169 /nfs/dbraw/zinc/27/61/69/432276169.db2.gz SKKYSWYNDAQGNU-OCCSQVGLSA-N 2 2 311.267 3.330 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248490086 432296162 /nfs/dbraw/zinc/29/61/62/432296162.db2.gz NHPXSXYYBPJCGJ-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000248490086 432296166 /nfs/dbraw/zinc/29/61/66/432296166.db2.gz NHPXSXYYBPJCGJ-DNVCBOLYSA-N 2 2 313.420 3.242 20 0 DGADLP O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881646 432299095 /nfs/dbraw/zinc/29/90/95/432299095.db2.gz NNVVPQKWQPCZAO-OALUTQOASA-N 2 2 313.445 3.251 20 0 DGADLP O[C@@H](C[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)c1ccccc1 ZINC000270881646 432299098 /nfs/dbraw/zinc/29/90/98/432299098.db2.gz NNVVPQKWQPCZAO-OALUTQOASA-N 2 2 313.445 3.251 20 0 DGADLP Cc1ccc([C@@H]2CSCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179526 432267151 /nfs/dbraw/zinc/26/71/51/432267151.db2.gz GWRLFUYJYXRPRV-KRWDZBQOSA-N 2 2 301.459 3.372 20 0 DGADLP Cc1ccc([C@@H]2CSCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179526 432267156 /nfs/dbraw/zinc/26/71/56/432267156.db2.gz GWRLFUYJYXRPRV-KRWDZBQOSA-N 2 2 301.459 3.372 20 0 DGADLP C[C@H]1SCC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000183179945 432267852 /nfs/dbraw/zinc/26/78/52/432267852.db2.gz NWURCLGBYLRESZ-WBVHZDCISA-N 2 2 301.459 3.452 20 0 DGADLP C[C@H]1SCC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000183179945 432267854 /nfs/dbraw/zinc/26/78/54/432267854.db2.gz NWURCLGBYLRESZ-WBVHZDCISA-N 2 2 301.459 3.452 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000191484843 432268163 /nfs/dbraw/zinc/26/81/63/432268163.db2.gz HGZIKBWQFKVXKF-OAHLLOKOSA-N 2 2 303.431 3.109 20 0 DGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000192036408 432327143 /nfs/dbraw/zinc/32/71/43/432327143.db2.gz ZJLWSTKNQPFNAZ-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000192036408 432327149 /nfs/dbraw/zinc/32/71/49/432327149.db2.gz ZJLWSTKNQPFNAZ-CQSZACIVSA-N 2 2 308.853 3.266 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)c1cccc(OC)c1 ZINC000249160904 432341844 /nfs/dbraw/zinc/34/18/44/432341844.db2.gz YVAUHRHXKZOYRY-AYOQOUSVSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271358837 432381129 /nfs/dbraw/zinc/38/11/29/432381129.db2.gz FEHSAKXTKVPBAD-HNNXBMFYSA-N 2 2 301.434 3.322 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000253192933 432389711 /nfs/dbraw/zinc/38/97/11/432389711.db2.gz NXLLATUUPYUCPI-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000253192933 432389714 /nfs/dbraw/zinc/38/97/14/432389714.db2.gz NXLLATUUPYUCPI-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000271430640 432394428 /nfs/dbraw/zinc/39/44/28/432394428.db2.gz BWMWFCWBTWIMSB-OAHLLOKOSA-N 2 2 310.894 3.400 20 0 DGADLP C[NH+](CCCCC[N@@H+](C)Cc1nccs1)Cc1nccs1 ZINC000175092331 432398036 /nfs/dbraw/zinc/39/80/36/432398036.db2.gz CYOYFUMREDHEFD-UHFFFAOYSA-N 2 2 324.519 3.334 20 0 DGADLP C[NH+](CCCCC[N@H+](C)Cc1nccs1)Cc1nccs1 ZINC000175092331 432398043 /nfs/dbraw/zinc/39/80/43/432398043.db2.gz CYOYFUMREDHEFD-UHFFFAOYSA-N 2 2 324.519 3.334 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000192354565 432362875 /nfs/dbraw/zinc/36/28/75/432362875.db2.gz CFVMWKQMFWLRRG-LJQANCHMSA-N 2 2 302.462 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3CCCCC3)C2)cc1 ZINC000192354565 432362881 /nfs/dbraw/zinc/36/28/81/432362881.db2.gz CFVMWKQMFWLRRG-LJQANCHMSA-N 2 2 302.462 3.200 20 0 DGADLP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000192354914 432363577 /nfs/dbraw/zinc/36/35/77/432363577.db2.gz JXAYOHXSOGPCCK-SFHVURJKSA-N 2 2 316.470 3.129 20 0 DGADLP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000192354914 432363582 /nfs/dbraw/zinc/36/35/82/432363582.db2.gz JXAYOHXSOGPCCK-SFHVURJKSA-N 2 2 316.470 3.129 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCO1 ZINC000152893879 432365122 /nfs/dbraw/zinc/36/51/22/432365122.db2.gz JHVKNSOHGKIHIN-RDTXWAMCSA-N 2 2 322.880 3.462 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000271301888 432371148 /nfs/dbraw/zinc/37/11/48/432371148.db2.gz OXECZCSZEKRPQO-YJBOKZPZSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000271301888 432371153 /nfs/dbraw/zinc/37/11/53/432371153.db2.gz OXECZCSZEKRPQO-YJBOKZPZSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192925354 432428265 /nfs/dbraw/zinc/42/82/65/432428265.db2.gz BTBNNTMIDWKWEA-QGZVFWFLSA-N 3 2 312.461 3.399 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000261549542 432429828 /nfs/dbraw/zinc/42/98/28/432429828.db2.gz KOOXKGSFJRCQPM-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2Br)C1 ZINC000261549542 432429831 /nfs/dbraw/zinc/42/98/31/432429831.db2.gz KOOXKGSFJRCQPM-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000261553901 432430993 /nfs/dbraw/zinc/43/09/93/432430993.db2.gz OLUYSARBWBPPSX-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000261553901 432430998 /nfs/dbraw/zinc/43/09/98/432430998.db2.gz OLUYSARBWBPPSX-CYBMUJFWSA-N 2 2 317.658 3.273 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261579304 432432983 /nfs/dbraw/zinc/43/29/83/432432983.db2.gz PKWBQBPGHMDLQG-JHJVBQTASA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261579304 432432987 /nfs/dbraw/zinc/43/29/87/432432987.db2.gz PKWBQBPGHMDLQG-JHJVBQTASA-N 2 2 309.251 3.051 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261590728 432433305 /nfs/dbraw/zinc/43/33/05/432433305.db2.gz XEUHGZMDHVEFFZ-JMSVASOKSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261590728 432433307 /nfs/dbraw/zinc/43/33/07/432433307.db2.gz XEUHGZMDHVEFFZ-JMSVASOKSA-N 2 2 309.251 3.194 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000192964581 432434155 /nfs/dbraw/zinc/43/41/55/432434155.db2.gz MZUDAHVFEITMJE-MOPGFXCFSA-N 2 2 302.462 3.084 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261711167 432444781 /nfs/dbraw/zinc/44/47/81/432444781.db2.gz PEPITMQZPSKQIB-KRWDZBQOSA-N 2 2 301.459 3.289 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261711167 432444787 /nfs/dbraw/zinc/44/47/87/432444787.db2.gz PEPITMQZPSKQIB-KRWDZBQOSA-N 2 2 301.459 3.289 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799228 432444882 /nfs/dbraw/zinc/44/48/82/432444882.db2.gz NNKPBQRJVZAYMD-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799228 432444884 /nfs/dbraw/zinc/44/48/84/432444884.db2.gz NNKPBQRJVZAYMD-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799228 432444889 /nfs/dbraw/zinc/44/48/89/432444889.db2.gz NNKPBQRJVZAYMD-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000153799228 432444892 /nfs/dbraw/zinc/44/48/92/432444892.db2.gz NNKPBQRJVZAYMD-HKUYNNGSSA-N 2 2 301.478 3.476 20 0 DGADLP CCC[N@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC[NH2+]CC1 ZINC000261759661 432448281 /nfs/dbraw/zinc/44/82/81/432448281.db2.gz PSJAMTFFJCQEBW-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP CCC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC[NH2+]CC1 ZINC000261759661 432448285 /nfs/dbraw/zinc/44/82/85/432448285.db2.gz PSJAMTFFJCQEBW-UHFFFAOYSA-N 2 2 317.408 3.445 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272149314 432452380 /nfs/dbraw/zinc/45/23/80/432452380.db2.gz LTCSVUFGGQOJJJ-AWEZNQCLSA-N 2 2 315.417 3.017 20 0 DGADLP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000261806237 432453220 /nfs/dbraw/zinc/45/32/20/432453220.db2.gz FZYBDRBVMFQHOZ-QGZVFWFLSA-N 2 2 312.417 3.109 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193148204 432453336 /nfs/dbraw/zinc/45/33/36/432453336.db2.gz SAALDTNDIAXTDU-HNNXBMFYSA-N 2 2 322.880 3.108 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193148204 432453338 /nfs/dbraw/zinc/45/33/38/432453338.db2.gz SAALDTNDIAXTDU-HNNXBMFYSA-N 2 2 322.880 3.108 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnn1C ZINC000192851911 432422486 /nfs/dbraw/zinc/42/24/86/432422486.db2.gz MNQPTKHDNRKFKD-ZIAGYGMSSA-N 2 2 309.417 3.326 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175321787 432423257 /nfs/dbraw/zinc/42/32/57/432423257.db2.gz GAVYYUAJXHVAOD-ZNMIVQPWSA-N 2 2 312.417 3.072 20 0 DGADLP C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175321787 432423260 /nfs/dbraw/zinc/42/32/60/432423260.db2.gz GAVYYUAJXHVAOD-ZNMIVQPWSA-N 2 2 312.417 3.072 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000262062424 432472218 /nfs/dbraw/zinc/47/22/18/432472218.db2.gz FCYOQZIXURYSDE-LALPHHSUSA-N 2 2 316.367 3.123 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000185198689 432476027 /nfs/dbraw/zinc/47/60/27/432476027.db2.gz LBRUHOILJZKKEP-SJORKVTESA-N 2 2 317.477 3.232 20 0 DGADLP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000154245593 432484843 /nfs/dbraw/zinc/48/48/43/432484843.db2.gz AXAVDCXGFVOMGX-WFASDCNBSA-N 2 2 319.276 3.347 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000154245892 432484858 /nfs/dbraw/zinc/48/48/58/432484858.db2.gz AXAVDCXGFVOMGX-IUODEOHRSA-N 2 2 319.276 3.347 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000262456603 432486702 /nfs/dbraw/zinc/48/67/02/432486702.db2.gz IEEIBFDHBZHSSP-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1C[NH3+] ZINC000262456603 432486706 /nfs/dbraw/zinc/48/67/06/432486706.db2.gz IEEIBFDHBZHSSP-OCCSQVGLSA-N 2 2 319.836 3.412 20 0 DGADLP C[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000262524070 432490270 /nfs/dbraw/zinc/49/02/70/432490270.db2.gz OQEQVRQBKKQINF-MRXNPFEDSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000262524070 432490273 /nfs/dbraw/zinc/49/02/73/432490273.db2.gz OQEQVRQBKKQINF-MRXNPFEDSA-N 2 2 303.381 3.055 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272438290 432501051 /nfs/dbraw/zinc/50/10/51/432501051.db2.gz SHQIVZUUDHGRPA-REPLKXPHSA-N 3 2 315.505 3.112 20 0 DGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272438290 432501056 /nfs/dbraw/zinc/50/10/56/432501056.db2.gz SHQIVZUUDHGRPA-REPLKXPHSA-N 3 2 315.505 3.112 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000176282784 432507005 /nfs/dbraw/zinc/50/70/05/432507005.db2.gz IQQFGOMPTCLQPI-AWEZNQCLSA-N 2 2 320.868 3.151 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000176282784 432507007 /nfs/dbraw/zinc/50/70/07/432507007.db2.gz IQQFGOMPTCLQPI-AWEZNQCLSA-N 2 2 320.868 3.151 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154591306 432508327 /nfs/dbraw/zinc/50/83/27/432508327.db2.gz IAGHBKOKLPXAHZ-IUODEOHRSA-N 2 2 316.474 3.258 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154591306 432508329 /nfs/dbraw/zinc/50/83/29/432508329.db2.gz IAGHBKOKLPXAHZ-IUODEOHRSA-N 2 2 316.474 3.258 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000272489651 432510755 /nfs/dbraw/zinc/51/07/55/432510755.db2.gz BYKGUCXKECHZKL-UHFFFAOYSA-N 2 2 321.774 3.241 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000154642849 432511083 /nfs/dbraw/zinc/51/10/83/432511083.db2.gz FZLRCQBRGHKIFG-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCC ZINC000154642849 432511087 /nfs/dbraw/zinc/51/10/87/432511087.db2.gz FZLRCQBRGHKIFG-GOEBONIOSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000154623199 432511331 /nfs/dbraw/zinc/51/13/31/432511331.db2.gz NFKQUBXTHCAXRC-PKOBYXMFSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000154623199 432511333 /nfs/dbraw/zinc/51/13/33/432511333.db2.gz NFKQUBXTHCAXRC-PKOBYXMFSA-N 2 2 309.457 3.390 20 0 DGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000261968969 432466054 /nfs/dbraw/zinc/46/60/54/432466054.db2.gz YRWZSFZQXTZINH-VQTJNVASSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000261968969 432466058 /nfs/dbraw/zinc/46/60/58/432466058.db2.gz YRWZSFZQXTZINH-VQTJNVASSA-N 2 2 310.441 3.292 20 0 DGADLP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC(C)(C)[NH3+])cc1OC ZINC000261989762 432467618 /nfs/dbraw/zinc/46/76/18/432467618.db2.gz SEBQPGPELKJHGG-INIZCTEOSA-N 2 2 320.477 3.228 20 0 DGADLP COc1ccc(CC[C@@H]2CCCC[N@H+]2CC(C)(C)[NH3+])cc1OC ZINC000261989762 432467620 /nfs/dbraw/zinc/46/76/20/432467620.db2.gz SEBQPGPELKJHGG-INIZCTEOSA-N 2 2 320.477 3.228 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033076 432469525 /nfs/dbraw/zinc/46/95/25/432469525.db2.gz ZAFSSKSSCYUESV-JSGCOSHPSA-N 2 2 324.852 3.061 20 0 DGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033076 432469528 /nfs/dbraw/zinc/46/95/28/432469528.db2.gz ZAFSSKSSCYUESV-JSGCOSHPSA-N 2 2 324.852 3.061 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033069 432469662 /nfs/dbraw/zinc/46/96/62/432469662.db2.gz ZAFSSKSSCYUESV-GXTWGEPZSA-N 2 2 324.852 3.061 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000262033069 432469665 /nfs/dbraw/zinc/46/96/65/432469665.db2.gz ZAFSSKSSCYUESV-GXTWGEPZSA-N 2 2 324.852 3.061 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccncc1 ZINC000176815083 432555721 /nfs/dbraw/zinc/55/57/21/432555721.db2.gz OIAHBALMAPFOKR-KRWDZBQOSA-N 2 2 317.477 3.015 20 0 DGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+]1CCC(C)CC1 ZINC000194008739 432517591 /nfs/dbraw/zinc/51/75/91/432517591.db2.gz HSWZMNRWPCTEJS-XWTMOSNGSA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@@H+]1C1CC1 ZINC000185748289 432529934 /nfs/dbraw/zinc/52/99/34/432529934.db2.gz OHKRMQCFBKJXJF-BBRMVZONSA-N 2 2 315.436 3.075 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)C[N@H+]1C1CC1 ZINC000185748289 432529939 /nfs/dbraw/zinc/52/99/39/432529939.db2.gz OHKRMQCFBKJXJF-BBRMVZONSA-N 2 2 315.436 3.075 20 0 DGADLP C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000273030190 432540393 /nfs/dbraw/zinc/54/03/93/432540393.db2.gz UINACDYTZZQSMK-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000273030190 432540396 /nfs/dbraw/zinc/54/03/96/432540396.db2.gz UINACDYTZZQSMK-OAHLLOKOSA-N 2 2 320.396 3.050 20 0 DGADLP Fc1ccc(SCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000176913027 432564957 /nfs/dbraw/zinc/56/49/57/432564957.db2.gz VCAHUCDDNHXHFA-UHFFFAOYSA-N 2 2 305.422 3.451 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CCO)c3ccco3)CC2)C1 ZINC000186545477 432605165 /nfs/dbraw/zinc/60/51/65/432605165.db2.gz QZBJZELAMTWWRN-NJAFHUGGSA-N 2 2 320.477 3.336 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(SC)c(OC)c1 ZINC000177301026 432608497 /nfs/dbraw/zinc/60/84/97/432608497.db2.gz QEIXAVJHDYAPOA-CVEARBPZSA-N 2 2 320.502 3.476 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(SC)c(OC)c1 ZINC000177301026 432608501 /nfs/dbraw/zinc/60/85/01/432608501.db2.gz QEIXAVJHDYAPOA-CVEARBPZSA-N 2 2 320.502 3.476 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(SC)c(OC)c1 ZINC000177301026 432608505 /nfs/dbraw/zinc/60/85/05/432608505.db2.gz QEIXAVJHDYAPOA-CVEARBPZSA-N 2 2 320.502 3.476 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(SC)c(OC)c1 ZINC000177301026 432608510 /nfs/dbraw/zinc/60/85/10/432608510.db2.gz QEIXAVJHDYAPOA-CVEARBPZSA-N 2 2 320.502 3.476 20 0 DGADLP CCSCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177360109 432615813 /nfs/dbraw/zinc/61/58/13/432615813.db2.gz DEQAWNPPHGXSQX-AWEZNQCLSA-N 2 2 304.463 3.231 20 0 DGADLP CCSCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177360109 432615816 /nfs/dbraw/zinc/61/58/16/432615816.db2.gz DEQAWNPPHGXSQX-AWEZNQCLSA-N 2 2 304.463 3.231 20 0 DGADLP CC(C)[N@H+](C)CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000195307163 432617311 /nfs/dbraw/zinc/61/73/11/432617311.db2.gz DUBLJTDQADWATM-UHFFFAOYSA-N 2 2 314.433 3.041 20 0 DGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000195307163 432617316 /nfs/dbraw/zinc/61/73/16/432617316.db2.gz DUBLJTDQADWATM-UHFFFAOYSA-N 2 2 314.433 3.041 20 0 DGADLP COc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000177233141 432601180 /nfs/dbraw/zinc/60/11/80/432601180.db2.gz UPOPHVHRXBVLMO-CQSZACIVSA-N 2 2 322.412 3.435 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC000156686370 432604817 /nfs/dbraw/zinc/60/48/17/432604817.db2.gz BNINJAFPIVTWCY-MSOLQXFVSA-N 3 2 307.526 3.248 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000156686370 432604820 /nfs/dbraw/zinc/60/48/20/432604820.db2.gz BNINJAFPIVTWCY-MSOLQXFVSA-N 3 2 307.526 3.248 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000157432424 432621219 /nfs/dbraw/zinc/62/12/19/432621219.db2.gz UNUJLRKXNRZWFO-UHFFFAOYSA-N 2 2 324.852 3.027 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000157432424 432621222 /nfs/dbraw/zinc/62/12/22/432621222.db2.gz UNUJLRKXNRZWFO-UHFFFAOYSA-N 2 2 324.852 3.027 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000187144076 432648486 /nfs/dbraw/zinc/64/84/86/432648486.db2.gz LEVVWEAFJUQGRP-MRXNPFEDSA-N 2 2 308.491 3.008 20 0 DGADLP Clc1cccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000195632225 432631502 /nfs/dbraw/zinc/63/15/02/432631502.db2.gz ZTHJHMVEPNYKCX-UHFFFAOYSA-N 2 2 321.896 3.338 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000187144076 432648491 /nfs/dbraw/zinc/64/84/91/432648491.db2.gz LEVVWEAFJUQGRP-MRXNPFEDSA-N 2 2 308.491 3.008 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000158515989 432647107 /nfs/dbraw/zinc/64/71/07/432647107.db2.gz SKYOJOPSCINFHH-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000158515989 432647111 /nfs/dbraw/zinc/64/71/11/432647111.db2.gz SKYOJOPSCINFHH-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000158515989 432647113 /nfs/dbraw/zinc/64/71/13/432647113.db2.gz SKYOJOPSCINFHH-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000158515989 432647118 /nfs/dbraw/zinc/64/71/18/432647118.db2.gz SKYOJOPSCINFHH-UKRRQHHQSA-N 2 2 307.507 3.357 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2nn(CC)c3ccccc23)CC1 ZINC000274442081 432668895 /nfs/dbraw/zinc/66/88/95/432668895.db2.gz OZPMRPYPEQZHQY-UHFFFAOYSA-N 2 2 314.477 3.410 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000274337345 432653743 /nfs/dbraw/zinc/65/37/43/432653743.db2.gz ABCFXJVSNZLDSP-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)CCO2 ZINC000177828919 432665921 /nfs/dbraw/zinc/66/59/21/432665921.db2.gz IYQZAGPSDDBEKV-CQSZACIVSA-N 2 2 307.397 3.163 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274430113 432667053 /nfs/dbraw/zinc/66/70/53/432667053.db2.gz GOOVHGQRGKNFLT-QGZVFWFLSA-N 2 2 319.836 3.309 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274430113 432667058 /nfs/dbraw/zinc/66/70/58/432667058.db2.gz GOOVHGQRGKNFLT-QGZVFWFLSA-N 2 2 319.836 3.309 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)CCO2 ZINC000177828910 432667270 /nfs/dbraw/zinc/66/72/70/432667270.db2.gz IYQZAGPSDDBEKV-AWEZNQCLSA-N 2 2 307.397 3.163 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000274847419 432716528 /nfs/dbraw/zinc/71/65/28/432716528.db2.gz FHMVUUNQHAQXGK-MRXNPFEDSA-N 2 2 323.799 3.058 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000274847419 432716532 /nfs/dbraw/zinc/71/65/32/432716532.db2.gz FHMVUUNQHAQXGK-MRXNPFEDSA-N 2 2 323.799 3.058 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274870407 432719521 /nfs/dbraw/zinc/71/95/21/432719521.db2.gz FMNFWVHENQPHCZ-IPELMVKDSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274870407 432719526 /nfs/dbraw/zinc/71/95/26/432719526.db2.gz FMNFWVHENQPHCZ-IPELMVKDSA-N 2 2 324.472 3.287 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Br ZINC000223030269 432675016 /nfs/dbraw/zinc/67/50/16/432675016.db2.gz PYDMCLHYAIQXQE-NHYWBVRUSA-N 2 2 320.234 3.311 20 0 DGADLP CCn1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000274558669 432682967 /nfs/dbraw/zinc/68/29/67/432682967.db2.gz JWMSWESPIJAGGD-AWEZNQCLSA-N 2 2 309.417 3.159 20 0 DGADLP CCn1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000274558669 432682970 /nfs/dbraw/zinc/68/29/70/432682970.db2.gz JWMSWESPIJAGGD-AWEZNQCLSA-N 2 2 309.417 3.159 20 0 DGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000178064646 432691243 /nfs/dbraw/zinc/69/12/43/432691243.db2.gz NWYQKXFVKLEQQE-CJNGLKHVSA-N 2 2 318.490 3.278 20 0 DGADLP CC(C)COCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236615613 432751384 /nfs/dbraw/zinc/75/13/84/432751384.db2.gz ZHFCXOBRQAWWDJ-IBGZPJMESA-N 2 2 304.478 3.303 20 0 DGADLP CC(C)COCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236615613 432751385 /nfs/dbraw/zinc/75/13/85/432751385.db2.gz ZHFCXOBRQAWWDJ-IBGZPJMESA-N 2 2 304.478 3.303 20 0 DGADLP COc1cccc2c(N(C)CCCn3cc[nH+]c3C)cc[nH+]c12 ZINC000275825585 432751957 /nfs/dbraw/zinc/75/19/57/432751957.db2.gz NOBGDJZPYMCFIC-UHFFFAOYSA-N 2 2 310.401 3.275 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650763 432775637 /nfs/dbraw/zinc/77/56/37/432775637.db2.gz YGWLHTHGAUDZLQ-CYBMUJFWSA-N 2 2 300.368 3.479 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650763 432775643 /nfs/dbraw/zinc/77/56/43/432775643.db2.gz YGWLHTHGAUDZLQ-CYBMUJFWSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650763 432775645 /nfs/dbraw/zinc/77/56/45/432775645.db2.gz YGWLHTHGAUDZLQ-CYBMUJFWSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650763 432775649 /nfs/dbraw/zinc/77/56/49/432775649.db2.gz YGWLHTHGAUDZLQ-CYBMUJFWSA-N 2 2 300.368 3.479 20 0 DGADLP CCC(O)(CC)CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000276184472 432781504 /nfs/dbraw/zinc/78/15/04/432781504.db2.gz FYVYOHNNDZMMBB-UHFFFAOYSA-N 2 2 301.434 3.212 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1sccc1Br ZINC000231341361 432730786 /nfs/dbraw/zinc/73/07/86/432730786.db2.gz ZYCONIRCOIYGSH-UHFFFAOYSA-N 2 2 305.285 3.331 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1sccc1Br ZINC000231341361 432730790 /nfs/dbraw/zinc/73/07/90/432730790.db2.gz ZYCONIRCOIYGSH-UHFFFAOYSA-N 2 2 305.285 3.331 20 0 DGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000232636768 432735386 /nfs/dbraw/zinc/73/53/86/432735386.db2.gz FPPXRXNGIFUIDC-ZDUSSCGKSA-N 2 2 313.283 3.310 20 0 DGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000232636768 432735391 /nfs/dbraw/zinc/73/53/91/432735391.db2.gz FPPXRXNGIFUIDC-ZDUSSCGKSA-N 2 2 313.283 3.310 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)s1 ZINC000178436552 432736945 /nfs/dbraw/zinc/73/69/45/432736945.db2.gz IVKZKNDYEWECPB-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)s1 ZINC000178436552 432736946 /nfs/dbraw/zinc/73/69/46/432736946.db2.gz IVKZKNDYEWECPB-UHFFFAOYSA-N 2 2 314.252 3.229 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000235488413 432744588 /nfs/dbraw/zinc/74/45/88/432744588.db2.gz PIBYWHFIUIHRPG-OLZOCXBDSA-N 2 2 322.250 3.255 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)CC1 ZINC000277075734 432829337 /nfs/dbraw/zinc/82/93/37/432829337.db2.gz DZPZRKXZXINANO-OAHLLOKOSA-N 2 2 311.267 3.365 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)CC1 ZINC000277075734 432829340 /nfs/dbraw/zinc/82/93/40/432829340.db2.gz DZPZRKXZXINANO-OAHLLOKOSA-N 2 2 311.267 3.365 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)CC1 ZINC000277254692 432831193 /nfs/dbraw/zinc/83/11/93/432831193.db2.gz QLKDVAZXKUAKJD-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)CC1 ZINC000277254692 432831195 /nfs/dbraw/zinc/83/11/95/432831195.db2.gz QLKDVAZXKUAKJD-GFCCVEGCSA-N 2 2 317.296 3.427 20 0 DGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000267343673 432833564 /nfs/dbraw/zinc/83/35/64/432833564.db2.gz FCCXIGHCOWLSGK-GFCCVEGCSA-N 2 2 301.356 3.269 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000267343673 432833567 /nfs/dbraw/zinc/83/35/67/432833567.db2.gz FCCXIGHCOWLSGK-GFCCVEGCSA-N 2 2 301.356 3.269 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000245453934 432833560 /nfs/dbraw/zinc/83/35/60/432833560.db2.gz GJWRPWJSOLQKJK-WBVHZDCISA-N 2 2 322.518 3.416 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000245453934 432833565 /nfs/dbraw/zinc/83/35/65/432833565.db2.gz GJWRPWJSOLQKJK-WBVHZDCISA-N 2 2 322.518 3.416 20 0 DGADLP COCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000237269174 432784097 /nfs/dbraw/zinc/78/40/97/432784097.db2.gz LQJKUYBRKNKMDO-UHFFFAOYSA-N 2 2 307.397 3.309 20 0 DGADLP C[C@@]1(c2ccccc2)C[N@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000161555024 432786077 /nfs/dbraw/zinc/78/60/77/432786077.db2.gz IVEXXLRWBBKYFS-IBGZPJMESA-N 2 2 302.462 3.110 20 0 DGADLP C[C@@]1(c2ccccc2)C[N@@H+](CCC[NH+]2CCCCC2)CCO1 ZINC000161555024 432786081 /nfs/dbraw/zinc/78/60/81/432786081.db2.gz IVEXXLRWBBKYFS-IBGZPJMESA-N 2 2 302.462 3.110 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000276253290 432787855 /nfs/dbraw/zinc/78/78/55/432787855.db2.gz QBSXZTCZWYHODH-DLBZAZTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000276253290 432787860 /nfs/dbraw/zinc/78/78/60/432787860.db2.gz QBSXZTCZWYHODH-DLBZAZTESA-N 2 2 313.445 3.378 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276268472 432790048 /nfs/dbraw/zinc/79/00/48/432790048.db2.gz CHTRJXQYKLQCMR-LJQANCHMSA-N 2 2 311.429 3.244 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276268472 432790050 /nfs/dbraw/zinc/79/00/50/432790050.db2.gz CHTRJXQYKLQCMR-LJQANCHMSA-N 2 2 311.429 3.244 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000237538624 432791209 /nfs/dbraw/zinc/79/12/09/432791209.db2.gz JGOGVMALYDFMRC-GXTWGEPZSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Br ZINC000237538624 432791214 /nfs/dbraw/zinc/79/12/14/432791214.db2.gz JGOGVMALYDFMRC-GXTWGEPZSA-N 2 2 323.278 3.472 20 0 DGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]C3CCCC3)CC2)c1 ZINC000237863132 432803098 /nfs/dbraw/zinc/80/30/98/432803098.db2.gz PCDPGQKFMVKFJW-UHFFFAOYSA-N 2 2 321.896 3.384 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000161901465 432803615 /nfs/dbraw/zinc/80/36/15/432803615.db2.gz NVNQQCYSODDZOU-IBGZPJMESA-N 3 2 318.509 3.026 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000161901465 432803619 /nfs/dbraw/zinc/80/36/19/432803619.db2.gz NVNQQCYSODDZOU-IBGZPJMESA-N 3 2 318.509 3.026 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000276461379 432810263 /nfs/dbraw/zinc/81/02/63/432810263.db2.gz WPGOKHWTCYYXPB-XIRDDKMYSA-N 2 2 313.445 3.377 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000276461379 432810265 /nfs/dbraw/zinc/81/02/65/432810265.db2.gz WPGOKHWTCYYXPB-XIRDDKMYSA-N 2 2 313.445 3.377 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4c(n3)CCCC4)cc2)c[nH+]1 ZINC000277654804 432867787 /nfs/dbraw/zinc/86/77/87/432867787.db2.gz FYCDODVVTPIEIR-UHFFFAOYSA-N 2 2 318.424 3.436 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1n1cc[nH+]c1 ZINC000268422476 432870723 /nfs/dbraw/zinc/87/07/23/432870723.db2.gz QQGVXSBVHUNDRH-ZIAGYGMSSA-N 2 2 302.422 3.252 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1n1cc[nH+]c1 ZINC000268422476 432870725 /nfs/dbraw/zinc/87/07/25/432870725.db2.gz QQGVXSBVHUNDRH-ZIAGYGMSSA-N 2 2 302.422 3.252 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245983051 432873847 /nfs/dbraw/zinc/87/38/47/432873847.db2.gz PQPSQWSJFJZXSV-BRWVUGGUSA-N 2 2 306.498 3.008 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000268036022 432839829 /nfs/dbraw/zinc/83/98/29/432839829.db2.gz QJPJBKGVIJWYDJ-OAHLLOKOSA-N 2 2 318.465 3.475 20 0 DGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000268036022 432839831 /nfs/dbraw/zinc/83/98/31/432839831.db2.gz QJPJBKGVIJWYDJ-OAHLLOKOSA-N 2 2 318.465 3.475 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277363141 432842690 /nfs/dbraw/zinc/84/26/90/432842690.db2.gz XFAIVIAODSOIMI-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277363141 432842693 /nfs/dbraw/zinc/84/26/93/432842693.db2.gz XFAIVIAODSOIMI-SJLPKXTDSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245577571 432846178 /nfs/dbraw/zinc/84/61/78/432846178.db2.gz FQZZMCGHPOUMQU-DFQSSKMNSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245577571 432846179 /nfs/dbraw/zinc/84/61/79/432846179.db2.gz FQZZMCGHPOUMQU-DFQSSKMNSA-N 2 2 324.468 3.281 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000163402272 432850371 /nfs/dbraw/zinc/85/03/71/432850371.db2.gz KFOUHOBCPIZFTD-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C[C@@H]1C[NH3+] ZINC000163402272 432850375 /nfs/dbraw/zinc/85/03/75/432850375.db2.gz KFOUHOBCPIZFTD-JQWIXIFHSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000163442576 432852059 /nfs/dbraw/zinc/85/20/59/432852059.db2.gz NXLLATUUPYUCPI-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000163442576 432852061 /nfs/dbraw/zinc/85/20/61/432852061.db2.gz NXLLATUUPYUCPI-PWSUYJOCSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1cc[nH+]cc1CCCNc1ccc(OCC[NH+](C)C)cc1 ZINC000289243646 432936470 /nfs/dbraw/zinc/93/64/70/432936470.db2.gz LHTLMZGLDNEPHM-UHFFFAOYSA-N 2 2 313.445 3.375 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1-n1cccn1 ZINC000289351874 432948995 /nfs/dbraw/zinc/94/89/95/432948995.db2.gz XNZLJMUMIUJUSG-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP Cc1ccc([C@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278566182 432896463 /nfs/dbraw/zinc/89/64/63/432896463.db2.gz WWJDZTSACHZNMQ-AEFFLSMTSA-N 2 2 304.503 3.475 20 0 DGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000296460734 432911321 /nfs/dbraw/zinc/91/13/21/432911321.db2.gz OSUHONYFZSAFEQ-JTDSTZFVSA-N 2 2 301.478 3.460 20 0 DGADLP Clc1nccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000278909527 432915211 /nfs/dbraw/zinc/91/52/11/432915211.db2.gz JKSBHVZTIRHCNX-LLVKDONJSA-N 2 2 311.216 3.491 20 0 DGADLP Clc1nccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000278909527 432915213 /nfs/dbraw/zinc/91/52/13/432915213.db2.gz JKSBHVZTIRHCNX-LLVKDONJSA-N 2 2 311.216 3.491 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000297265947 432984573 /nfs/dbraw/zinc/98/45/73/432984573.db2.gz KKGJAWGJJRBEMU-GPMSIDNRSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000297265947 432984578 /nfs/dbraw/zinc/98/45/78/432984578.db2.gz KKGJAWGJJRBEMU-GPMSIDNRSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349692741 432994420 /nfs/dbraw/zinc/99/44/20/432994420.db2.gz KVWMSAHVLVABCF-OLQIXAPSSA-N 2 2 318.436 3.118 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349692741 432994424 /nfs/dbraw/zinc/99/44/24/432994424.db2.gz KVWMSAHVLVABCF-OLQIXAPSSA-N 2 2 318.436 3.118 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000290130629 432997989 /nfs/dbraw/zinc/99/79/89/432997989.db2.gz UZZLLTILRPOOSD-HNNXBMFYSA-N 2 2 312.442 3.409 20 0 DGADLP c1cc(N2CCC([NH2+]c3ccc4c(c3)CCCO4)CC2)cc[nH+]1 ZINC000297613876 432998872 /nfs/dbraw/zinc/99/88/72/432998872.db2.gz KUHFDDMJFCRVSN-UHFFFAOYSA-N 2 2 309.413 3.488 20 0 DGADLP OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc(-n4cc[nH+]c4)cc1)(C3)C2 ZINC000290148997 433001094 /nfs/dbraw/zinc/00/10/94/433001094.db2.gz KYVRAQRGEYMTIP-FWYSVENZSA-N 2 2 323.440 3.046 20 0 DGADLP Cc1nc2sccn2c1C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289394221 432953667 /nfs/dbraw/zinc/95/36/67/432953667.db2.gz RIIKPWITIIEGTG-UHFFFAOYSA-N 2 2 314.458 3.472 20 0 DGADLP Cc1nc2sccn2c1C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289394221 432953671 /nfs/dbraw/zinc/95/36/71/432953671.db2.gz RIIKPWITIIEGTG-UHFFFAOYSA-N 2 2 314.458 3.472 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc2c(c1)CCC(=O)N2 ZINC000289413322 432957033 /nfs/dbraw/zinc/95/70/33/432957033.db2.gz IDWQTTQZTJXNHG-CYBMUJFWSA-N 2 2 320.396 3.070 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2cccc(C)n12 ZINC000349419263 432958923 /nfs/dbraw/zinc/95/89/23/432958923.db2.gz OQCJINVEEFIHNE-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2cccc(C)n12 ZINC000349419263 432958927 /nfs/dbraw/zinc/95/89/27/432958927.db2.gz OQCJINVEEFIHNE-UHFFFAOYSA-N 2 2 302.466 3.197 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C2CCC2)o1 ZINC000349447163 432962644 /nfs/dbraw/zinc/96/26/44/432962644.db2.gz CBVCIHZWPOLADF-HKUYNNGSSA-N 2 2 320.477 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393929 433044546 /nfs/dbraw/zinc/04/45/46/433044546.db2.gz IYZQEYRTBUMQKU-BXUZGUMPSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393929 433044551 /nfs/dbraw/zinc/04/45/51/433044551.db2.gz IYZQEYRTBUMQKU-BXUZGUMPSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393929 433044557 /nfs/dbraw/zinc/04/45/57/433044557.db2.gz IYZQEYRTBUMQKU-BXUZGUMPSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000290393929 433044562 /nfs/dbraw/zinc/04/45/62/433044562.db2.gz IYZQEYRTBUMQKU-BXUZGUMPSA-N 2 2 316.367 3.199 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258513 433006589 /nfs/dbraw/zinc/00/65/89/433006589.db2.gz LLWHKTZZYSUSID-HUUCEWRRSA-N 2 2 302.466 3.762 20 0 DGADLP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258513 433006593 /nfs/dbraw/zinc/00/65/93/433006593.db2.gz LLWHKTZZYSUSID-HUUCEWRRSA-N 2 2 302.466 3.762 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718647 433009638 /nfs/dbraw/zinc/00/96/38/433009638.db2.gz RQYWHRNDACDCSA-YPMHNXCESA-N 2 2 324.852 3.159 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718647 433009639 /nfs/dbraw/zinc/00/96/39/433009639.db2.gz RQYWHRNDACDCSA-YPMHNXCESA-N 2 2 324.852 3.159 20 0 DGADLP CN(C)c1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349802934 433012770 /nfs/dbraw/zinc/01/27/70/433012770.db2.gz LZZYDWRXJOTKMX-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CC(C)OCCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000341286060 433017242 /nfs/dbraw/zinc/01/72/42/433017242.db2.gz BPFNPFXGEXNAOH-UHFFFAOYSA-N 2 2 310.404 3.198 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000290240738 433017917 /nfs/dbraw/zinc/01/79/17/433017917.db2.gz GTLVNCSDVNHCSL-AWEZNQCLSA-N 2 2 312.417 3.164 20 0 DGADLP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000341292416 433018056 /nfs/dbraw/zinc/01/80/56/433018056.db2.gz GNQYOGGPVVGFDO-ZIAGYGMSSA-N 2 2 310.869 3.053 20 0 DGADLP CC(C)c1cc(N2CC[NH+](C3CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000341290662 433018388 /nfs/dbraw/zinc/01/83/88/433018388.db2.gz BIGVFOPYTQBZTM-UHFFFAOYSA-N 2 2 302.466 3.398 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000333046563 433030287 /nfs/dbraw/zinc/03/02/87/433030287.db2.gz ADHNKZLPIIVCHY-SFHVURJKSA-N 2 2 324.428 3.218 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000333046563 433030290 /nfs/dbraw/zinc/03/02/90/433030290.db2.gz ADHNKZLPIIVCHY-SFHVURJKSA-N 2 2 324.428 3.218 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000290424988 433050094 /nfs/dbraw/zinc/05/00/94/433050094.db2.gz KXQABWWWWPGBSO-GVDBMIGSSA-N 2 2 324.390 3.331 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000350014561 433052114 /nfs/dbraw/zinc/05/21/14/433052114.db2.gz WFDIGCAVPYZTMN-UHFFFAOYSA-N 2 2 320.868 3.143 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000350014561 433052117 /nfs/dbraw/zinc/05/21/17/433052117.db2.gz WFDIGCAVPYZTMN-UHFFFAOYSA-N 2 2 320.868 3.143 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000419714889 433066851 /nfs/dbraw/zinc/06/68/51/433066851.db2.gz UUWRYTAQOVTSNS-SJLPKXTDSA-N 2 2 312.461 3.160 20 0 DGADLP Cc1c[nH+]c(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)n1C ZINC000419739078 433067118 /nfs/dbraw/zinc/06/71/18/433067118.db2.gz JGTRASBMXVUJOQ-UHFFFAOYSA-N 2 2 309.417 3.417 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)n1C ZINC000419708082 433067855 /nfs/dbraw/zinc/06/78/55/433067855.db2.gz GOKLRRFHMBLFDM-UHFFFAOYSA-N 2 2 318.852 3.004 20 0 DGADLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)CO1 ZINC000361268729 433071046 /nfs/dbraw/zinc/07/10/46/433071046.db2.gz WYTJKIBMQVWADI-HKUYNNGSSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)CO1 ZINC000361268729 433071059 /nfs/dbraw/zinc/07/10/59/433071059.db2.gz WYTJKIBMQVWADI-HKUYNNGSSA-N 2 2 302.462 3.324 20 0 DGADLP Cc1ccc(CCC[NH2+]CCOc2ncccc2Cl)c[nH+]1 ZINC000354421407 433071094 /nfs/dbraw/zinc/07/10/94/433071094.db2.gz OMJLXSGXHBTXJS-UHFFFAOYSA-N 2 2 305.809 3.040 20 0 DGADLP Cc1cc(N2CC[NH+](C3CCC(C)CC3)CC2)nc(C2CC2)[nH+]1 ZINC000341501710 433099679 /nfs/dbraw/zinc/09/96/79/433099679.db2.gz PBIJANOGWIAOOZ-UHFFFAOYSA-N 2 2 314.477 3.363 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)c2ccccc21 ZINC000453298631 433074999 /nfs/dbraw/zinc/07/49/99/433074999.db2.gz WKAPCBKCMGEXTF-FFZOFVMBSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)c2ccccc21 ZINC000453298631 433075009 /nfs/dbraw/zinc/07/50/09/433075009.db2.gz WKAPCBKCMGEXTF-FFZOFVMBSA-N 2 2 316.489 3.307 20 0 DGADLP Cc1cccc(C[NH+]2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC000341478933 433082178 /nfs/dbraw/zinc/08/21/78/433082178.db2.gz HKRICGDBYVJALW-UHFFFAOYSA-N 2 2 322.456 3.293 20 0 DGADLP COCc1cc(N[C@@H](C)CC[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000290527890 433083394 /nfs/dbraw/zinc/08/33/94/433083394.db2.gz HCECOLJLMQYDTG-LBPRGKRZSA-N 2 2 305.397 3.272 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290544975 433087321 /nfs/dbraw/zinc/08/73/21/433087321.db2.gz RMWKQVDVPYJQNL-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290544975 433087331 /nfs/dbraw/zinc/08/73/31/433087331.db2.gz RMWKQVDVPYJQNL-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP C[N@H+](CCCCCOc1ccccc1)CCCn1cc[nH+]c1 ZINC000290553543 433092707 /nfs/dbraw/zinc/09/27/07/433092707.db2.gz RXDPUIKJMYQILH-UHFFFAOYSA-N 2 2 301.434 3.454 20 0 DGADLP C[N@@H+](CCCCCOc1ccccc1)CCCn1cc[nH+]c1 ZINC000290553543 433092712 /nfs/dbraw/zinc/09/27/12/433092712.db2.gz RXDPUIKJMYQILH-UHFFFAOYSA-N 2 2 301.434 3.454 20 0 DGADLP CC(C)c1cc(N2CCC3(C2)CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000420227208 433130059 /nfs/dbraw/zinc/13/00/59/433130059.db2.gz NHPJVUXSRPNQAM-UHFFFAOYSA-N 2 2 302.466 3.303 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000453384072 433140773 /nfs/dbraw/zinc/14/07/73/433140773.db2.gz ZIEHMPSSUGRLLY-JXFKEZNVSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000453384072 433140782 /nfs/dbraw/zinc/14/07/82/433140782.db2.gz ZIEHMPSSUGRLLY-JXFKEZNVSA-N 2 2 324.472 3.094 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388651 433142656 /nfs/dbraw/zinc/14/26/56/433142656.db2.gz BVKPZIMKIRJJPP-MJGOQNOKSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388651 433142668 /nfs/dbraw/zinc/14/26/68/433142668.db2.gz BVKPZIMKIRJJPP-MJGOQNOKSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453388651 433142675 /nfs/dbraw/zinc/14/26/75/433142675.db2.gz BVKPZIMKIRJJPP-MJGOQNOKSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388651 433142682 /nfs/dbraw/zinc/14/26/82/433142682.db2.gz BVKPZIMKIRJJPP-MJGOQNOKSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280711951 433144067 /nfs/dbraw/zinc/14/40/67/433144067.db2.gz UDVHGYPDZCHKEH-MRXNPFEDSA-N 2 2 321.428 3.224 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000124219002 289484609 /nfs/dbraw/zinc/48/46/09/289484609.db2.gz DPDSVJRTHWJLPZ-GFCCVEGCSA-N 2 2 317.260 3.194 20 0 DGADLP Cc1cc(N2CCC(C[NH+]3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000341511494 433102147 /nfs/dbraw/zinc/10/21/47/433102147.db2.gz RAFOIXFVGHITAU-UHFFFAOYSA-N 2 2 314.477 3.365 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000350178679 433103025 /nfs/dbraw/zinc/10/30/25/433103025.db2.gz ZZOCCMMICVRUFR-UHFFFAOYSA-N 2 2 314.424 3.222 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000350178679 433103033 /nfs/dbraw/zinc/10/30/33/433103033.db2.gz ZZOCCMMICVRUFR-UHFFFAOYSA-N 2 2 314.424 3.222 20 0 DGADLP Cc1nc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000354476284 433103384 /nfs/dbraw/zinc/10/33/84/433103384.db2.gz ZCJSWMPNPGJNFZ-YFHOEESVSA-N 2 2 322.456 3.237 20 0 DGADLP [NH3+]CCC[N@H+](Cc1nc2cccnc2s1)Cc1ccccc1 ZINC000420308105 433153664 /nfs/dbraw/zinc/15/36/64/433153664.db2.gz JVSMTERAJVXAJI-UHFFFAOYSA-N 2 2 312.442 3.042 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1nc2cccnc2s1)Cc1ccccc1 ZINC000420308105 433153674 /nfs/dbraw/zinc/15/36/74/433153674.db2.gz JVSMTERAJVXAJI-UHFFFAOYSA-N 2 2 312.442 3.042 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583795 433106828 /nfs/dbraw/zinc/10/68/28/433106828.db2.gz UTFUIUANGDFGBW-LRDDRELGSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583795 433106834 /nfs/dbraw/zinc/10/68/34/433106834.db2.gz UTFUIUANGDFGBW-LRDDRELGSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583795 433106841 /nfs/dbraw/zinc/10/68/41/433106841.db2.gz UTFUIUANGDFGBW-LRDDRELGSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000290583795 433106843 /nfs/dbraw/zinc/10/68/43/433106843.db2.gz UTFUIUANGDFGBW-LRDDRELGSA-N 2 2 308.853 3.047 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361495395 433208442 /nfs/dbraw/zinc/20/84/42/433208442.db2.gz DPBGMISOYXFPGZ-FUHIMQAGSA-N 3 2 315.505 3.142 20 0 DGADLP Cc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000453403340 433158539 /nfs/dbraw/zinc/15/85/39/433158539.db2.gz AXQIEJONKXUXGQ-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)n1C ZINC000425323233 433160577 /nfs/dbraw/zinc/16/05/77/433160577.db2.gz IQYVWHUQPKSNSP-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)n1C ZINC000425323233 433160586 /nfs/dbraw/zinc/16/05/86/433160586.db2.gz IQYVWHUQPKSNSP-MRXNPFEDSA-N 2 2 318.852 3.477 20 0 DGADLP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)O1 ZINC000453408898 433162160 /nfs/dbraw/zinc/16/21/60/433162160.db2.gz NYBCBEQGDYJHET-WMLDXEAASA-N 2 2 322.880 3.462 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000425323666 433163149 /nfs/dbraw/zinc/16/31/49/433163149.db2.gz JJRDQRJDRSGCQO-QGZVFWFLSA-N 2 2 312.461 3.083 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000425323666 433163158 /nfs/dbraw/zinc/16/31/58/433163158.db2.gz JJRDQRJDRSGCQO-QGZVFWFLSA-N 2 2 312.461 3.083 20 0 DGADLP Cc1ccc(CCC[NH2+]CC(=O)Nc2c(C)cccc2C)c[nH+]1 ZINC000354579092 433164295 /nfs/dbraw/zinc/16/42/95/433164295.db2.gz UCPQUUGCGSIDNW-UHFFFAOYSA-N 2 2 311.429 3.168 20 0 DGADLP CC[N@H+](Cc1ncc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000420321313 433166233 /nfs/dbraw/zinc/16/62/33/433166233.db2.gz ZWVKCIUHYGTZPU-LBPRGKRZSA-N 2 2 302.249 3.352 20 0 DGADLP CC[N@@H+](Cc1ncc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000420321313 433166240 /nfs/dbraw/zinc/16/62/40/433166240.db2.gz ZWVKCIUHYGTZPU-LBPRGKRZSA-N 2 2 302.249 3.352 20 0 DGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335233 433174149 /nfs/dbraw/zinc/17/41/49/433174149.db2.gz IEBPPVPASSSDIF-SUMWQHHRSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425335233 433174162 /nfs/dbraw/zinc/17/41/62/433174162.db2.gz IEBPPVPASSSDIF-SUMWQHHRSA-N 2 2 316.424 3.208 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H](C[NH3+])C1 ZINC000420347662 433175292 /nfs/dbraw/zinc/17/52/92/433175292.db2.gz ZAHGNJMUMXSHHR-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H](C[NH3+])C1 ZINC000420347662 433175298 /nfs/dbraw/zinc/17/52/98/433175298.db2.gz ZAHGNJMUMXSHHR-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000420354689 433176050 /nfs/dbraw/zinc/17/60/50/433176050.db2.gz BHSOUWQUROCCHK-GOSISDBHSA-N 2 2 317.408 3.478 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)n1C ZINC000425341303 433177577 /nfs/dbraw/zinc/17/75/77/433177577.db2.gz WYSJWUDBSUBFBJ-OAHLLOKOSA-N 2 2 302.422 3.196 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)n1C ZINC000425341303 433177583 /nfs/dbraw/zinc/17/75/83/433177583.db2.gz WYSJWUDBSUBFBJ-OAHLLOKOSA-N 2 2 302.422 3.196 20 0 DGADLP Cc1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000420356698 433179036 /nfs/dbraw/zinc/17/90/36/433179036.db2.gz GTAVFAGIMIVGJR-INIZCTEOSA-N 2 2 323.868 3.084 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340583 433179251 /nfs/dbraw/zinc/17/92/51/433179251.db2.gz BCAKHMVNDHLLPP-RVKKMQEKSA-N 2 2 312.461 3.253 20 0 DGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425340583 433179258 /nfs/dbraw/zinc/17/92/58/433179258.db2.gz BCAKHMVNDHLLPP-RVKKMQEKSA-N 2 2 312.461 3.253 20 0 DGADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1c1ccccc1 ZINC000425340320 433179488 /nfs/dbraw/zinc/17/94/88/433179488.db2.gz VKVPTBNNSLAKIH-YJBOKZPZSA-N 2 2 312.461 3.112 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1c1ccccc1 ZINC000425340320 433179495 /nfs/dbraw/zinc/17/94/95/433179495.db2.gz VKVPTBNNSLAKIH-YJBOKZPZSA-N 2 2 312.461 3.112 20 0 DGADLP C[NH2+]CCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000420369262 433182574 /nfs/dbraw/zinc/18/25/74/433182574.db2.gz IPYUEPRCWCBWBS-UHFFFAOYSA-N 2 2 311.267 3.238 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000420361825 433182750 /nfs/dbraw/zinc/18/27/50/433182750.db2.gz MUCNOWHDJDPKIT-OAHLLOKOSA-N 2 2 319.836 3.473 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336718243 433188126 /nfs/dbraw/zinc/18/81/26/433188126.db2.gz RIWREASRXMXFEC-UZLBHIALSA-N 2 2 310.441 3.448 20 0 DGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000336718243 433188138 /nfs/dbraw/zinc/18/81/38/433188138.db2.gz RIWREASRXMXFEC-UZLBHIALSA-N 2 2 310.441 3.448 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445333 433190258 /nfs/dbraw/zinc/19/02/58/433190258.db2.gz YKJLJRQKNRDNJM-PBHICJAKSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445333 433190269 /nfs/dbraw/zinc/19/02/69/433190269.db2.gz YKJLJRQKNRDNJM-PBHICJAKSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420413153 433201445 /nfs/dbraw/zinc/20/14/45/433201445.db2.gz SRFQVRHLORKYFH-GOEBONIOSA-N 2 2 315.486 3.151 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420413153 433201453 /nfs/dbraw/zinc/20/14/53/433201453.db2.gz SRFQVRHLORKYFH-GOEBONIOSA-N 2 2 315.486 3.151 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420413154 433202396 /nfs/dbraw/zinc/20/23/96/433202396.db2.gz SRFQVRHLORKYFH-HOCLYGCPSA-N 2 2 315.486 3.151 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420413154 433202406 /nfs/dbraw/zinc/20/24/06/433202406.db2.gz SRFQVRHLORKYFH-HOCLYGCPSA-N 2 2 315.486 3.151 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1C ZINC000425388110 433218171 /nfs/dbraw/zinc/21/81/71/433218171.db2.gz VXRCYUIIXIMVGA-IPMKNSEASA-N 2 2 324.472 3.254 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1C ZINC000425388110 433218177 /nfs/dbraw/zinc/21/81/77/433218177.db2.gz VXRCYUIIXIMVGA-IPMKNSEASA-N 2 2 324.472 3.254 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000447568943 433232064 /nfs/dbraw/zinc/23/20/64/433232064.db2.gz AEPCFZTYOAWVAH-ZACQAIPSSA-N 2 2 306.494 3.046 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000447568943 433232075 /nfs/dbraw/zinc/23/20/75/433232075.db2.gz AEPCFZTYOAWVAH-ZACQAIPSSA-N 2 2 306.494 3.046 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C(C)C)C3(CO)CCCC3)n2c1 ZINC000453611473 433236286 /nfs/dbraw/zinc/23/62/86/433236286.db2.gz IPLIHYGTVRCYJI-SFHVURJKSA-N 2 2 315.461 3.310 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1)C1CC1 ZINC000281198490 433269181 /nfs/dbraw/zinc/26/91/81/433269181.db2.gz JZRYYOYKMSXMRX-DLBZAZTESA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1)C1CC1 ZINC000281198490 433269192 /nfs/dbraw/zinc/26/91/92/433269192.db2.gz JZRYYOYKMSXMRX-DLBZAZTESA-N 2 2 301.478 3.490 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341759925 433255065 /nfs/dbraw/zinc/25/50/65/433255065.db2.gz WINGTNNLFYESRO-ZRGWGRIASA-N 2 2 320.452 3.292 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)C[C@H](C)O1 ZINC000341759925 433255072 /nfs/dbraw/zinc/25/50/72/433255072.db2.gz WINGTNNLFYESRO-ZRGWGRIASA-N 2 2 320.452 3.292 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000447902229 433319213 /nfs/dbraw/zinc/31/92/13/433319213.db2.gz JGJVUDRXTZOIGL-DOTOQJQBSA-N 2 2 317.477 3.114 20 0 DGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447902229 433319222 /nfs/dbraw/zinc/31/92/22/433319222.db2.gz JGJVUDRXTZOIGL-DOTOQJQBSA-N 2 2 317.477 3.114 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1)C1CC1 ZINC000281198494 433270749 /nfs/dbraw/zinc/27/07/49/433270749.db2.gz JZRYYOYKMSXMRX-IAGOWNOFSA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1)C1CC1 ZINC000281198494 433270758 /nfs/dbraw/zinc/27/07/58/433270758.db2.gz JZRYYOYKMSXMRX-IAGOWNOFSA-N 2 2 301.478 3.490 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374813564 433282598 /nfs/dbraw/zinc/28/25/98/433282598.db2.gz FUYJRRNFNVEDMA-QGZVFWFLSA-N 2 2 305.372 3.291 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374813564 433282615 /nfs/dbraw/zinc/28/26/15/433282615.db2.gz FUYJRRNFNVEDMA-QGZVFWFLSA-N 2 2 305.372 3.291 20 0 DGADLP C[C@@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)C[NH+](C)C ZINC000291626644 433288913 /nfs/dbraw/zinc/28/89/13/433288913.db2.gz ADDUHARUIAPWTD-ZDUSSCGKSA-N 2 2 320.868 3.028 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc(-c3ccccc3)c[nH]1)CCC2 ZINC000447851391 433304989 /nfs/dbraw/zinc/30/49/89/433304989.db2.gz ZUYRPHBQOBIXRT-INIZCTEOSA-N 2 2 321.428 3.249 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448024285 433349663 /nfs/dbraw/zinc/34/96/63/433349663.db2.gz XMDGWVXWWASNNX-YYIAUSFCSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000448024285 433349673 /nfs/dbraw/zinc/34/96/73/433349673.db2.gz XMDGWVXWWASNNX-YYIAUSFCSA-N 2 2 306.494 3.044 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000420962606 433355344 /nfs/dbraw/zinc/35/53/44/433355344.db2.gz KQYPBADIOSCFKY-FQEVSTJZSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000420962606 433355357 /nfs/dbraw/zinc/35/53/57/433355357.db2.gz KQYPBADIOSCFKY-FQEVSTJZSA-N 2 2 314.473 3.141 20 0 DGADLP Cc1ccoc1C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420970853 433362725 /nfs/dbraw/zinc/36/27/25/433362725.db2.gz JJCCCRAVCJKVFQ-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP Cc1ccoc1C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420970853 433362735 /nfs/dbraw/zinc/36/27/35/433362735.db2.gz JJCCCRAVCJKVFQ-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc3c(c1)COC3)CCC2 ZINC000361664333 433330057 /nfs/dbraw/zinc/33/00/57/433330057.db2.gz KYXAIZRDPJVKSS-GOEBONIOSA-N 2 2 311.429 3.450 20 0 DGADLP CC1(C)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341891531 433338613 /nfs/dbraw/zinc/33/86/13/433338613.db2.gz OALAXSSBHIJGMW-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341891531 433338623 /nfs/dbraw/zinc/33/86/23/433338623.db2.gz OALAXSSBHIJGMW-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341891531 433338633 /nfs/dbraw/zinc/33/86/33/433338633.db2.gz OALAXSSBHIJGMW-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP CC1(C)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341891531 433338644 /nfs/dbraw/zinc/33/86/44/433338644.db2.gz OALAXSSBHIJGMW-LJQANCHMSA-N 2 2 316.489 3.400 20 0 DGADLP CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888325 433342352 /nfs/dbraw/zinc/34/23/52/433342352.db2.gz IXJNAGYLPJHUMZ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888325 433342362 /nfs/dbraw/zinc/34/23/62/433342362.db2.gz IXJNAGYLPJHUMZ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888325 433342370 /nfs/dbraw/zinc/34/23/70/433342370.db2.gz IXJNAGYLPJHUMZ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341888325 433342377 /nfs/dbraw/zinc/34/23/77/433342377.db2.gz IXJNAGYLPJHUMZ-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339074483 433343311 /nfs/dbraw/zinc/34/33/11/433343311.db2.gz LXZYUWMREJJQLP-GJJHYRHESA-N 2 2 314.473 3.227 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339074483 433343323 /nfs/dbraw/zinc/34/33/23/433343323.db2.gz LXZYUWMREJJQLP-GJJHYRHESA-N 2 2 314.473 3.227 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000351224219 433425820 /nfs/dbraw/zinc/42/58/20/433425820.db2.gz CODLHZLYOUZDOG-MRXNPFEDSA-N 2 2 312.417 3.443 20 0 DGADLP Cc1[nH+]cccc1Cc1noc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000351224219 433425830 /nfs/dbraw/zinc/42/58/30/433425830.db2.gz CODLHZLYOUZDOG-MRXNPFEDSA-N 2 2 312.417 3.443 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361810748 433398476 /nfs/dbraw/zinc/39/84/76/433398476.db2.gz GEZWCHXKMTWNLV-YQQAZPJKSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)CO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(C)C ZINC000375266411 433404285 /nfs/dbraw/zinc/40/42/85/433404285.db2.gz FSMSPDZEPZUSFQ-CVEARBPZSA-N 2 2 305.466 3.149 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3cccs3)CC2)nc(C(C)C)[nH+]1 ZINC000301074796 433405094 /nfs/dbraw/zinc/40/50/94/433405094.db2.gz YDDZBDSXJACAOB-UHFFFAOYSA-N 2 2 316.474 3.292 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCCC2 ZINC000375271134 433407316 /nfs/dbraw/zinc/40/73/16/433407316.db2.gz YHLORXNHDIJUJT-HZPDHXFCSA-N 2 2 303.450 3.047 20 0 DGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)c1ccn(C)n1 ZINC000414143552 433422203 /nfs/dbraw/zinc/42/22/03/433422203.db2.gz NQWKXNNBQFGJNX-GFCCVEGCSA-N 2 2 315.808 3.110 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C3CC(C)(C)C3)c2cc1C ZINC000448557431 433423858 /nfs/dbraw/zinc/42/38/58/433423858.db2.gz UKPLPSPXRXNRNU-MRXNPFEDSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C3CC(C)(C)C3)c2cc1C ZINC000448557431 433423865 /nfs/dbraw/zinc/42/38/65/433423865.db2.gz UKPLPSPXRXNRNU-MRXNPFEDSA-N 2 2 315.461 3.134 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)C[NH+]1CCOCC1 ZINC000361882015 433434477 /nfs/dbraw/zinc/43/44/77/433434477.db2.gz YFOVIYSFKBNNOK-VQIMIIECSA-N 2 2 302.462 3.012 20 0 DGADLP COCCC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000281951547 433442665 /nfs/dbraw/zinc/44/26/65/433442665.db2.gz MBHMGCDFTGARKI-GOSISDBHSA-N 2 2 308.441 3.369 20 0 DGADLP COCCC[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000281951550 433443043 /nfs/dbraw/zinc/44/30/43/433443043.db2.gz MBHMGCDFTGARKI-SFHVURJKSA-N 2 2 308.441 3.369 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000414181458 433446058 /nfs/dbraw/zinc/44/60/58/433446058.db2.gz MHUIKWPRLWBTEK-PSBWJHGTSA-N 2 2 301.478 3.316 20 0 DGADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000414181458 433446062 /nfs/dbraw/zinc/44/60/62/433446062.db2.gz MHUIKWPRLWBTEK-PSBWJHGTSA-N 2 2 301.478 3.316 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCC1 ZINC000355069450 433447271 /nfs/dbraw/zinc/44/72/71/433447271.db2.gz ZJUCCTLYCGKKBM-YJBOKZPZSA-N 2 2 314.473 3.189 20 0 DGADLP COc1ccccc1C1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CCC1 ZINC000355069450 433447277 /nfs/dbraw/zinc/44/72/77/433447277.db2.gz ZJUCCTLYCGKKBM-YJBOKZPZSA-N 2 2 314.473 3.189 20 0 DGADLP CCn1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000414208723 433462215 /nfs/dbraw/zinc/46/22/15/433462215.db2.gz MGEXRIBYJHEFGQ-CRAIPNDOSA-N 2 2 304.482 3.036 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000351273707 433450883 /nfs/dbraw/zinc/45/08/83/433450883.db2.gz XCKNPVNUNQKPBQ-QGZVFWFLSA-N 2 2 320.452 3.452 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000351273707 433450894 /nfs/dbraw/zinc/45/08/94/433450894.db2.gz XCKNPVNUNQKPBQ-QGZVFWFLSA-N 2 2 320.452 3.452 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000351273706 433451791 /nfs/dbraw/zinc/45/17/91/433451791.db2.gz XCKNPVNUNQKPBQ-KRWDZBQOSA-N 2 2 320.452 3.452 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000351273706 433451800 /nfs/dbraw/zinc/45/18/00/433451800.db2.gz XCKNPVNUNQKPBQ-KRWDZBQOSA-N 2 2 320.452 3.452 20 0 DGADLP Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc(C(C)C)[nH+]1 ZINC000301214705 433455357 /nfs/dbraw/zinc/45/53/57/433455357.db2.gz XBWSMCQTSXKDGE-HNNXBMFYSA-N 2 2 311.433 3.242 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000282004118 433459992 /nfs/dbraw/zinc/45/99/92/433459992.db2.gz IZFFEIFZCDTUMX-SFHVURJKSA-N 2 2 313.445 3.284 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423042209 290030197 /nfs/dbraw/zinc/03/01/97/290030197.db2.gz KNRCSRXHSVMAHQ-KQEPKPNTSA-N 3 2 313.489 3.374 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423042209 290030200 /nfs/dbraw/zinc/03/02/00/290030200.db2.gz KNRCSRXHSVMAHQ-KQEPKPNTSA-N 3 2 313.489 3.374 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000342094570 433464782 /nfs/dbraw/zinc/46/47/82/433464782.db2.gz XIGHRUIFJGBMNT-IMJJTQAJSA-N 2 2 307.507 3.291 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000342094570 433464791 /nfs/dbraw/zinc/46/47/91/433464791.db2.gz XIGHRUIFJGBMNT-IMJJTQAJSA-N 2 2 307.507 3.291 20 0 DGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261590730 290262359 /nfs/dbraw/zinc/26/23/59/290262359.db2.gz XEUHGZMDHVEFFZ-TYNCELHUSA-N 2 2 309.251 3.194 20 0 DGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261590730 290262361 /nfs/dbraw/zinc/26/23/61/290262361.db2.gz XEUHGZMDHVEFFZ-TYNCELHUSA-N 2 2 309.251 3.194 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237980 433476564 /nfs/dbraw/zinc/47/65/64/433476564.db2.gz LWUNVMYVPHMONX-GJJHYRHESA-N 2 2 316.489 3.443 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000414237980 433476574 /nfs/dbraw/zinc/47/65/74/433476574.db2.gz LWUNVMYVPHMONX-GJJHYRHESA-N 2 2 316.489 3.443 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1N(C)C ZINC000361980241 433480135 /nfs/dbraw/zinc/48/01/35/433480135.db2.gz ISPSNBIPLWBQNV-IIYDPXPESA-N 2 2 305.441 3.025 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1N(C)C ZINC000361980241 433480143 /nfs/dbraw/zinc/48/01/43/433480143.db2.gz ISPSNBIPLWBQNV-IIYDPXPESA-N 2 2 305.441 3.025 20 0 DGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(C3CC3)c2)C[C@H](C)O1 ZINC000421335095 433484779 /nfs/dbraw/zinc/48/47/79/433484779.db2.gz RTIHDXMDVRNDCO-HOTGVXAUSA-N 2 2 302.462 3.153 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@H]12 ZINC000351480146 433521747 /nfs/dbraw/zinc/52/17/47/433521747.db2.gz TYTHRFLRMXOZFO-WCFLWFBJSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@H]12 ZINC000351480146 433521767 /nfs/dbraw/zinc/52/17/67/433521767.db2.gz TYTHRFLRMXOZFO-WCFLWFBJSA-N 2 2 305.472 3.041 20 0 DGADLP CCc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355206740 433537422 /nfs/dbraw/zinc/53/74/22/433537422.db2.gz MHTBYJYIXVPNLH-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355206740 433537431 /nfs/dbraw/zinc/53/74/31/433537431.db2.gz MHTBYJYIXVPNLH-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000355206740 433537435 /nfs/dbraw/zinc/53/74/35/433537435.db2.gz MHTBYJYIXVPNLH-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000355206740 433537443 /nfs/dbraw/zinc/53/74/43/433537443.db2.gz MHTBYJYIXVPNLH-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426403394 433485673 /nfs/dbraw/zinc/48/56/73/433485673.db2.gz WHKBLBZHNBUKLS-HZPDHXFCSA-N 2 2 320.477 3.043 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426403394 433485682 /nfs/dbraw/zinc/48/56/82/433485682.db2.gz WHKBLBZHNBUKLS-HZPDHXFCSA-N 2 2 320.477 3.043 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1O ZINC000426401382 433486951 /nfs/dbraw/zinc/48/69/51/433486951.db2.gz OYEUNMQMPKZJIP-MRXNPFEDSA-N 2 2 320.477 3.043 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H]4CCC[C@@H]43)C2)cc1 ZINC000342157224 433505459 /nfs/dbraw/zinc/50/54/59/433505459.db2.gz FTLAUTGIXRMZNA-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H]4CCC[C@@H]43)C2)cc1 ZINC000342157224 433505466 /nfs/dbraw/zinc/50/54/66/433505466.db2.gz FTLAUTGIXRMZNA-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H]4CCC[C@@H]43)C2)cc1 ZINC000342157224 433505472 /nfs/dbraw/zinc/50/54/72/433505472.db2.gz FTLAUTGIXRMZNA-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H]4CCC[C@@H]43)C2)cc1 ZINC000342157224 433505481 /nfs/dbraw/zinc/50/54/81/433505481.db2.gz FTLAUTGIXRMZNA-AABGKKOBSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344088 433553622 /nfs/dbraw/zinc/55/36/22/433553622.db2.gz YWYJWRKWXLPSBD-YLJYHZDGSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344088 433553633 /nfs/dbraw/zinc/55/36/33/433553633.db2.gz YWYJWRKWXLPSBD-YLJYHZDGSA-N 2 2 323.484 3.469 20 0 DGADLP Cc1oncc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375766120 433555659 /nfs/dbraw/zinc/55/56/59/433555659.db2.gz ZOVOAWSVXDKEAP-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1oncc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375766120 433555666 /nfs/dbraw/zinc/55/56/66/433555666.db2.gz ZOVOAWSVXDKEAP-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1oncc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375766120 433555675 /nfs/dbraw/zinc/55/56/75/433555675.db2.gz ZOVOAWSVXDKEAP-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1oncc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375766120 433555683 /nfs/dbraw/zinc/55/56/83/433555683.db2.gz ZOVOAWSVXDKEAP-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Fc1cc(F)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1F ZINC000351542470 433562404 /nfs/dbraw/zinc/56/24/04/433562404.db2.gz DCHIGTUJPRYVBA-UHFFFAOYSA-N 2 2 318.302 3.356 20 0 DGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414360073 433566436 /nfs/dbraw/zinc/56/64/36/433566436.db2.gz FXRVUJHWGZCGKZ-PXAZEXFGSA-N 2 2 316.424 3.038 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000414360262 433567907 /nfs/dbraw/zinc/56/79/07/433567907.db2.gz QMCWZMHXUKWMEX-YOEHRIQHSA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1 ZINC000414360262 433567920 /nfs/dbraw/zinc/56/79/20/433567920.db2.gz QMCWZMHXUKWMEX-YOEHRIQHSA-N 2 2 316.474 3.019 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565340 433577502 /nfs/dbraw/zinc/57/75/02/433577502.db2.gz WJSZZRZSYJIYSS-HKUYNNGSSA-N 2 2 302.462 3.107 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565340 433577508 /nfs/dbraw/zinc/57/75/08/433577508.db2.gz WJSZZRZSYJIYSS-HKUYNNGSSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565340 433577513 /nfs/dbraw/zinc/57/75/13/433577513.db2.gz WJSZZRZSYJIYSS-HKUYNNGSSA-N 2 2 302.462 3.107 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1OCCc2ccccc21 ZINC000351565340 433577518 /nfs/dbraw/zinc/57/75/18/433577518.db2.gz WJSZZRZSYJIYSS-HKUYNNGSSA-N 2 2 302.462 3.107 20 0 DGADLP COCC[C@H]1CCC[C@@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000282376231 433585606 /nfs/dbraw/zinc/58/56/06/433585606.db2.gz WVVKFQHTZROKKV-CVEARBPZSA-N 2 2 301.434 3.140 20 0 DGADLP CCc1ncc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000414390950 433592594 /nfs/dbraw/zinc/59/25/94/433592594.db2.gz KFFHIMWGUXFBSL-INIZCTEOSA-N 2 2 324.472 3.354 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000339448397 433593286 /nfs/dbraw/zinc/59/32/86/433593286.db2.gz PRXIYKALDLMLIV-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000339448397 433593293 /nfs/dbraw/zinc/59/32/93/433593293.db2.gz PRXIYKALDLMLIV-MJGOQNOKSA-N 2 2 316.489 3.446 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342355997 433634891 /nfs/dbraw/zinc/63/48/91/433634891.db2.gz KAZFYMVZODCFSS-SWLSCSKDSA-N 2 2 305.397 3.129 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342355997 433634902 /nfs/dbraw/zinc/63/49/02/433634902.db2.gz KAZFYMVZODCFSS-SWLSCSKDSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342355997 433634910 /nfs/dbraw/zinc/63/49/10/433634910.db2.gz KAZFYMVZODCFSS-SWLSCSKDSA-N 2 2 305.397 3.129 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000342355997 433634921 /nfs/dbraw/zinc/63/49/21/433634921.db2.gz KAZFYMVZODCFSS-SWLSCSKDSA-N 2 2 305.397 3.129 20 0 DGADLP CC[N@H+](C)[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421574810 433635051 /nfs/dbraw/zinc/63/50/51/433635051.db2.gz HQECREFZLWRVNZ-SFHVURJKSA-N 2 2 311.429 3.008 20 0 DGADLP CC[N@@H+](C)[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421574810 433635059 /nfs/dbraw/zinc/63/50/59/433635059.db2.gz HQECREFZLWRVNZ-SFHVURJKSA-N 2 2 311.429 3.008 20 0 DGADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000293152940 433635309 /nfs/dbraw/zinc/63/53/09/433635309.db2.gz VBURROJKOOIUCS-GOSISDBHSA-N 2 2 322.880 3.319 20 0 DGADLP C[NH+](C)CCCC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000351662960 433644944 /nfs/dbraw/zinc/64/49/44/433644944.db2.gz ABSXWWOAXPEDOP-UHFFFAOYSA-N 2 2 312.404 3.224 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000342317356 433612334 /nfs/dbraw/zinc/61/23/34/433612334.db2.gz XQSKURZTLRLQSC-IFKDRHBRSA-N 2 2 307.441 3.347 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000342317356 433612338 /nfs/dbraw/zinc/61/23/38/433612338.db2.gz XQSKURZTLRLQSC-IFKDRHBRSA-N 2 2 307.441 3.347 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000414452215 433625319 /nfs/dbraw/zinc/62/53/19/433625319.db2.gz KLZWRUJHIMFYHO-IBGZPJMESA-N 2 2 324.472 3.177 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000414452215 433625328 /nfs/dbraw/zinc/62/53/28/433625328.db2.gz KLZWRUJHIMFYHO-IBGZPJMESA-N 2 2 324.472 3.177 20 0 DGADLP CC[NH+]1CCN(Cc2ccccc2CNc2cc(C)cc[nH+]2)CC1 ZINC000301635776 433648602 /nfs/dbraw/zinc/64/86/02/433648602.db2.gz LJCXTXVGTJLSSP-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP CCN1CC[NH+](Cc2ccccc2CNc2cc(C)cc[nH+]2)CC1 ZINC000301635776 433648622 /nfs/dbraw/zinc/64/86/22/433648622.db2.gz LJCXTXVGTJLSSP-UHFFFAOYSA-N 2 2 324.472 3.140 20 0 DGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cs1 ZINC000427118117 433654223 /nfs/dbraw/zinc/65/42/23/433654223.db2.gz SWWUHBXGEXIFSN-BXUZGUMPSA-N 2 2 305.472 3.055 20 0 DGADLP c1cc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)s2)cs1 ZINC000427118117 433654237 /nfs/dbraw/zinc/65/42/37/433654237.db2.gz SWWUHBXGEXIFSN-BXUZGUMPSA-N 2 2 305.472 3.055 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)Cc2cccc(Cl)c2)nc[nH+]1 ZINC000301654748 433658294 /nfs/dbraw/zinc/65/82/94/433658294.db2.gz RKKKUWTWSSUFAR-UHFFFAOYSA-N 2 2 304.825 3.007 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccncc3F)C2)CC1 ZINC000449018053 433664483 /nfs/dbraw/zinc/66/44/83/433664483.db2.gz IYQPXJUKKPKSHA-INIZCTEOSA-N 2 2 305.441 3.165 20 0 DGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccncc3F)C2)CC1 ZINC000449018053 433664487 /nfs/dbraw/zinc/66/44/87/433664487.db2.gz IYQPXJUKKPKSHA-INIZCTEOSA-N 2 2 305.441 3.165 20 0 DGADLP CCN(C)c1ccc(CNc2ccc(C[NH+](C)C)cc2F)c[nH+]1 ZINC000414501571 433668807 /nfs/dbraw/zinc/66/88/07/433668807.db2.gz SJTMJJXWRDQPNA-UHFFFAOYSA-N 2 2 316.424 3.351 20 0 DGADLP Cc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000301691471 433677368 /nfs/dbraw/zinc/67/73/68/433677368.db2.gz KNFNUEGXUUCFHK-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP Cc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301713776 433691064 /nfs/dbraw/zinc/69/10/64/433691064.db2.gz ZCJSWMPNPGJNFZ-JXMROGBWSA-N 2 2 322.456 3.237 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366962337 293008545 /nfs/dbraw/zinc/00/85/45/293008545.db2.gz ZEHBTTXRSKLZJS-QGZVFWFLSA-N 2 2 304.482 3.080 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366962337 293008547 /nfs/dbraw/zinc/00/85/47/293008547.db2.gz ZEHBTTXRSKLZJS-QGZVFWFLSA-N 2 2 304.482 3.080 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000293318955 433696453 /nfs/dbraw/zinc/69/64/53/433696453.db2.gz WAADRGZRYUPSDX-BHIYHBOVSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1ccccc1 ZINC000293318955 433696464 /nfs/dbraw/zinc/69/64/64/433696464.db2.gz WAADRGZRYUPSDX-BHIYHBOVSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000293318955 433696474 /nfs/dbraw/zinc/69/64/74/433696474.db2.gz WAADRGZRYUPSDX-BHIYHBOVSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000293318955 433696481 /nfs/dbraw/zinc/69/64/81/433696481.db2.gz WAADRGZRYUPSDX-BHIYHBOVSA-N 2 2 302.462 3.179 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000356788954 433697857 /nfs/dbraw/zinc/69/78/57/433697857.db2.gz WOJUQGFAZWJSPG-WDSOQIARSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000356788954 433697862 /nfs/dbraw/zinc/69/78/62/433697862.db2.gz WOJUQGFAZWJSPG-WDSOQIARSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cnn(C)c1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000367360233 293061335 /nfs/dbraw/zinc/06/13/35/293061335.db2.gz GDAKJARGQNOWBL-UHFFFAOYSA-N 2 2 323.444 3.224 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463886 293076824 /nfs/dbraw/zinc/07/68/24/293076824.db2.gz OUVKMFZSDKIDIG-ZCNNSNEGSA-N 2 2 312.457 3.070 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463886 293076825 /nfs/dbraw/zinc/07/68/25/293076825.db2.gz OUVKMFZSDKIDIG-ZCNNSNEGSA-N 2 2 312.457 3.070 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463886 293076826 /nfs/dbraw/zinc/07/68/26/293076826.db2.gz OUVKMFZSDKIDIG-ZCNNSNEGSA-N 2 2 312.457 3.070 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3[C@H]4C=CC[C@@H]3CC4)C2)cc1 ZINC000367463886 293076827 /nfs/dbraw/zinc/07/68/27/293076827.db2.gz OUVKMFZSDKIDIG-ZCNNSNEGSA-N 2 2 312.457 3.070 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC000368365097 293119650 /nfs/dbraw/zinc/11/96/50/293119650.db2.gz YXWMCICBCIQZKF-OOHWJJMZSA-N 2 2 320.481 3.114 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000293318981 433699042 /nfs/dbraw/zinc/69/90/42/433699042.db2.gz WAADRGZRYUPSDX-YTQUADARSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1ccccc1 ZINC000293318981 433699046 /nfs/dbraw/zinc/69/90/46/433699046.db2.gz WAADRGZRYUPSDX-YTQUADARSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000293318981 433699048 /nfs/dbraw/zinc/69/90/48/433699048.db2.gz WAADRGZRYUPSDX-YTQUADARSA-N 2 2 302.462 3.179 20 0 DGADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000293318981 433699053 /nfs/dbraw/zinc/69/90/53/433699053.db2.gz WAADRGZRYUPSDX-YTQUADARSA-N 2 2 302.462 3.179 20 0 DGADLP COc1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449046826 433705246 /nfs/dbraw/zinc/70/52/46/433705246.db2.gz LZAQDLZPXAJGNU-SUMWQHHRSA-N 2 2 303.381 3.114 20 0 DGADLP COc1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449046826 433705259 /nfs/dbraw/zinc/70/52/59/433705259.db2.gz LZAQDLZPXAJGNU-SUMWQHHRSA-N 2 2 303.381 3.114 20 0 DGADLP CC1(C)C(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000373487488 293281407 /nfs/dbraw/zinc/28/14/07/293281407.db2.gz VZXUAUFRSTUSEA-UHFFFAOYSA-N 2 2 301.478 3.318 20 0 DGADLP CCn1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502516 293283490 /nfs/dbraw/zinc/28/34/90/293283490.db2.gz YSROKDIKVHPXIV-HNAYVOBHSA-N 2 2 323.444 3.336 20 0 DGADLP CCn1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000373502516 293283493 /nfs/dbraw/zinc/28/34/93/293283493.db2.gz YSROKDIKVHPXIV-HNAYVOBHSA-N 2 2 323.444 3.336 20 0 DGADLP Cc1sccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000293363680 433712416 /nfs/dbraw/zinc/71/24/16/433712416.db2.gz UTWGTUCAAALBEA-INIZCTEOSA-N 2 2 316.474 3.204 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCC13CCOCC3)CCC2 ZINC000374388040 293393338 /nfs/dbraw/zinc/39/33/38/293393338.db2.gz KGMODDSRWOQBFY-CVEARBPZSA-N 2 2 303.450 3.008 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000339661547 433714313 /nfs/dbraw/zinc/71/43/13/433714313.db2.gz OQMKODFCZZEQDD-DLBZAZTESA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC000339661547 433714322 /nfs/dbraw/zinc/71/43/22/433714322.db2.gz OQMKODFCZZEQDD-DLBZAZTESA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000339661549 433714601 /nfs/dbraw/zinc/71/46/01/433714601.db2.gz OQMKODFCZZEQDD-IRXDYDNUSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC000339661549 433714607 /nfs/dbraw/zinc/71/46/07/433714607.db2.gz OQMKODFCZZEQDD-IRXDYDNUSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC000339661548 433715019 /nfs/dbraw/zinc/71/50/19/433715019.db2.gz OQMKODFCZZEQDD-IAGOWNOFSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC000339661548 433715025 /nfs/dbraw/zinc/71/50/25/433715025.db2.gz OQMKODFCZZEQDD-IAGOWNOFSA-N 2 2 313.445 3.236 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801676 433737851 /nfs/dbraw/zinc/73/78/51/433737851.db2.gz LKUOTHPZRQETPN-UXHICEINSA-N 2 2 321.468 3.193 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCc4cccnc4CC3)C2)cc1 ZINC000421801676 433737860 /nfs/dbraw/zinc/73/78/60/433737860.db2.gz LKUOTHPZRQETPN-UXHICEINSA-N 2 2 321.468 3.193 20 0 DGADLP CCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCOCC1 ZINC000356875495 433745376 /nfs/dbraw/zinc/74/53/76/433745376.db2.gz QTWFESWCGACAOB-UHFFFAOYSA-N 2 2 322.415 3.200 20 0 DGADLP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427885296 433746149 /nfs/dbraw/zinc/74/61/49/433746149.db2.gz IUABRUWBDLMPOU-HIFRSBDPSA-N 2 2 301.459 3.141 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282863 433756941 /nfs/dbraw/zinc/75/69/41/433756941.db2.gz RHSNXESDYVBSCC-QXAKKESOSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000428282863 433756944 /nfs/dbraw/zinc/75/69/44/433756944.db2.gz RHSNXESDYVBSCC-QXAKKESOSA-N 2 2 306.494 3.023 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351863926 433758296 /nfs/dbraw/zinc/75/82/96/433758296.db2.gz VSKONQKIKQSUJR-OWCLPIDISA-N 2 2 317.477 3.115 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351863926 433758304 /nfs/dbraw/zinc/75/83/04/433758304.db2.gz VSKONQKIKQSUJR-OWCLPIDISA-N 2 2 317.477 3.115 20 0 DGADLP CC(C)[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000351864480 433759907 /nfs/dbraw/zinc/75/99/07/433759907.db2.gz YBIABLMABUBPTK-UHFFFAOYSA-N 2 2 301.478 3.072 20 0 DGADLP CC(C)[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000351864480 433759914 /nfs/dbraw/zinc/75/99/14/433759914.db2.gz YBIABLMABUBPTK-UHFFFAOYSA-N 2 2 301.478 3.072 20 0 DGADLP CC(C)c1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301857276 433762333 /nfs/dbraw/zinc/76/23/33/433762333.db2.gz IZXBLQCGYSXRFO-GDBMZVCRSA-N 2 2 304.482 3.500 20 0 DGADLP CC(C)c1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301857276 433762346 /nfs/dbraw/zinc/76/23/46/433762346.db2.gz IZXBLQCGYSXRFO-GDBMZVCRSA-N 2 2 304.482 3.500 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000421843003 433765544 /nfs/dbraw/zinc/76/55/44/433765544.db2.gz PJQKTHDMISMGCV-AAEUAGOBSA-N 2 2 305.809 3.211 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449757038 433765985 /nfs/dbraw/zinc/76/59/85/433765985.db2.gz QWUKLSCQEUNAIQ-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449757038 433765994 /nfs/dbraw/zinc/76/59/94/433765994.db2.gz QWUKLSCQEUNAIQ-JCHJZTRSSA-N 2 2 302.462 3.197 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000421847909 433770316 /nfs/dbraw/zinc/77/03/16/433770316.db2.gz ZDCRWMPOKZSXPU-WQGACYEGSA-N 2 2 308.853 3.482 20 0 DGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000421847909 433770324 /nfs/dbraw/zinc/77/03/24/433770324.db2.gz ZDCRWMPOKZSXPU-WQGACYEGSA-N 2 2 308.853 3.482 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421854533 433773784 /nfs/dbraw/zinc/77/37/84/433773784.db2.gz LQNZYTDZSDONPX-AEFFLSMTSA-N 2 2 301.478 3.039 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421854533 433773790 /nfs/dbraw/zinc/77/37/90/433773790.db2.gz LQNZYTDZSDONPX-AEFFLSMTSA-N 2 2 301.478 3.039 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)[C@H](C)C[NH3+])o1 ZINC000414660419 433775058 /nfs/dbraw/zinc/77/50/58/433775058.db2.gz OCAMJEKKDVLKIL-CQSZACIVSA-N 2 2 324.428 3.220 20 0 DGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@H](C)C[NH3+])o1 ZINC000414660419 433775067 /nfs/dbraw/zinc/77/50/67/433775067.db2.gz OCAMJEKKDVLKIL-CQSZACIVSA-N 2 2 324.428 3.220 20 0 DGADLP CC[C@H](C)[NH2+][C@H](CNc1cc[nH+]c(C(C)C)n1)c1ccco1 ZINC000343264487 433790782 /nfs/dbraw/zinc/79/07/82/433790782.db2.gz LDIIREWTYGKRME-UONOGXRCSA-N 2 2 302.422 3.734 20 0 DGADLP CC[C@H](C)[NH2+][C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1ccco1 ZINC000343257801 433791123 /nfs/dbraw/zinc/79/11/23/433791123.db2.gz ZCIWCAXSNNAEBO-WFASDCNBSA-N 2 2 314.433 3.797 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000414686896 433791462 /nfs/dbraw/zinc/79/14/62/433791462.db2.gz BSMDRZRAUILMIU-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000414686896 433791467 /nfs/dbraw/zinc/79/14/67/433791467.db2.gz BSMDRZRAUILMIU-UHFFFAOYSA-N 2 2 304.478 3.303 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000430581922 433791969 /nfs/dbraw/zinc/79/19/69/433791969.db2.gz VHFIWDYHOMLUFM-HXUWFJFHSA-N 2 2 324.468 3.476 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000430581922 433791982 /nfs/dbraw/zinc/79/19/82/433791982.db2.gz VHFIWDYHOMLUFM-HXUWFJFHSA-N 2 2 324.468 3.476 20 0 DGADLP CC[C@@H](C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1)[NH+](C)C ZINC000356974699 433793455 /nfs/dbraw/zinc/79/34/55/433793455.db2.gz NEVIMRCKEOMNAF-HOCLYGCPSA-N 2 2 318.465 3.048 20 0 DGADLP COc1cc(F)cc(C[C@H](C)[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000449783221 433794047 /nfs/dbraw/zinc/79/40/47/433794047.db2.gz NKSCFQWVKHQNCL-ZDUSSCGKSA-N 2 2 313.376 3.203 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000351930070 433797179 /nfs/dbraw/zinc/79/71/79/433797179.db2.gz CWRDPIWPMQIJLB-INIZCTEOSA-N 2 2 318.465 3.330 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000351930070 433797187 /nfs/dbraw/zinc/79/71/87/433797187.db2.gz CWRDPIWPMQIJLB-INIZCTEOSA-N 2 2 318.465 3.330 20 0 DGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)nc1 ZINC000449785743 433799165 /nfs/dbraw/zinc/79/91/65/433799165.db2.gz ISZWWMLGSOJSFV-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)nc1 ZINC000449785743 433799177 /nfs/dbraw/zinc/79/91/77/433799177.db2.gz ISZWWMLGSOJSFV-UHFFFAOYSA-N 2 2 315.383 3.239 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376730381 433804976 /nfs/dbraw/zinc/80/49/76/433804976.db2.gz XSAGTWGVZNUAEQ-UHFFFAOYSA-N 2 2 321.428 3.208 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000431809049 433815912 /nfs/dbraw/zinc/81/59/12/433815912.db2.gz DMOUWUSKLJWGKD-AEFFLSMTSA-N 2 2 324.472 3.487 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000431809049 433815924 /nfs/dbraw/zinc/81/59/24/433815924.db2.gz DMOUWUSKLJWGKD-AEFFLSMTSA-N 2 2 324.472 3.487 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000414763526 433818972 /nfs/dbraw/zinc/81/89/72/433818972.db2.gz CRKCMLGINHFBDX-PWSUYJOCSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000414763526 433818980 /nfs/dbraw/zinc/81/89/80/433818980.db2.gz CRKCMLGINHFBDX-PWSUYJOCSA-N 2 2 315.280 3.003 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414762731 433821534 /nfs/dbraw/zinc/82/15/34/433821534.db2.gz AYPOWRFTTPGRJZ-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)[C@@H](C[NH3+])C1 ZINC000414762731 433821545 /nfs/dbraw/zinc/82/15/45/433821545.db2.gz AYPOWRFTTPGRJZ-BLLLJJGKSA-N 2 2 303.837 3.447 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc(Cl)c1OC ZINC000414836583 433874217 /nfs/dbraw/zinc/87/42/17/433874217.db2.gz SYOFYERFUDNEOV-OAHLLOKOSA-N 2 2 320.820 3.147 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000414839337 433874235 /nfs/dbraw/zinc/87/42/35/433874235.db2.gz WALOELVAZWJEIS-OAHLLOKOSA-N 2 2 310.319 3.375 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000414845824 433876003 /nfs/dbraw/zinc/87/60/03/433876003.db2.gz SYZZAMXRGVAXHF-VIFPVBQESA-N 2 2 305.647 3.048 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000343785825 433828660 /nfs/dbraw/zinc/82/86/60/433828660.db2.gz DXHARUJVICEVGE-SUMWQHHRSA-N 2 2 306.413 3.346 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000284087753 433833500 /nfs/dbraw/zinc/83/35/00/433833500.db2.gz BIHFKXFHCCPWMH-LLVKDONJSA-N 2 2 309.841 3.021 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1Cl ZINC000414788618 433835054 /nfs/dbraw/zinc/83/50/54/433835054.db2.gz DQNOXYZSCFNPHX-GFCCVEGCSA-N 2 2 305.647 3.175 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414785528 433836457 /nfs/dbraw/zinc/83/64/57/433836457.db2.gz JIXKTWDEOHPUDU-APWZRJJASA-N 2 2 310.441 3.421 20 0 DGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414785528 433836467 /nfs/dbraw/zinc/83/64/67/433836467.db2.gz JIXKTWDEOHPUDU-APWZRJJASA-N 2 2 310.441 3.421 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2[nH+]1 ZINC000362736671 433839608 /nfs/dbraw/zinc/83/96/08/433839608.db2.gz NBUHGYCVGXDYJH-GXTWGEPZSA-N 2 2 314.433 3.042 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2[nH+]1 ZINC000362736671 433839615 /nfs/dbraw/zinc/83/96/15/433839615.db2.gz NBUHGYCVGXDYJH-GXTWGEPZSA-N 2 2 314.433 3.042 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000414792260 433840584 /nfs/dbraw/zinc/84/05/84/433840584.db2.gz RPPCTOWDKLSYEJ-UHFFFAOYSA-N 2 2 318.852 3.147 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000414792260 433840594 /nfs/dbraw/zinc/84/05/94/433840594.db2.gz RPPCTOWDKLSYEJ-UHFFFAOYSA-N 2 2 318.852 3.147 20 0 DGADLP c1cc(N2CCCC2)ncc1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797114 433844411 /nfs/dbraw/zinc/84/44/11/433844411.db2.gz AXFHJFBVCNWPNI-UHFFFAOYSA-N 2 2 316.493 3.084 20 0 DGADLP CCn1nc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c2ccccc21 ZINC000351997582 433844730 /nfs/dbraw/zinc/84/47/30/433844730.db2.gz VBRRTPSWKDSFLU-MRXNPFEDSA-N 2 2 314.477 3.362 20 0 DGADLP CCn1nc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c2ccccc21 ZINC000351997582 433844735 /nfs/dbraw/zinc/84/47/35/433844735.db2.gz VBRRTPSWKDSFLU-MRXNPFEDSA-N 2 2 314.477 3.362 20 0 DGADLP CCn1nc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c2ccccc21 ZINC000351997582 433844742 /nfs/dbraw/zinc/84/47/42/433844742.db2.gz VBRRTPSWKDSFLU-MRXNPFEDSA-N 2 2 314.477 3.362 20 0 DGADLP CCn1nc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c2ccccc21 ZINC000351997582 433844748 /nfs/dbraw/zinc/84/47/48/433844748.db2.gz VBRRTPSWKDSFLU-MRXNPFEDSA-N 2 2 314.477 3.362 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000414806271 433847339 /nfs/dbraw/zinc/84/73/39/433847339.db2.gz HOBMYEJWTSQECA-UHFFFAOYSA-N 2 2 313.445 3.268 20 0 DGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1sc(C)cc1Br ZINC000414807807 433848800 /nfs/dbraw/zinc/84/88/00/433848800.db2.gz DFGRNFCWIALVLG-JTQLQIEISA-N 2 2 305.285 3.426 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000339905550 433849343 /nfs/dbraw/zinc/84/93/43/433849343.db2.gz NJAGSFPBTMBDSL-ZDUSSCGKSA-N 2 2 309.335 3.428 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000339905550 433849354 /nfs/dbraw/zinc/84/93/54/433849354.db2.gz NJAGSFPBTMBDSL-ZDUSSCGKSA-N 2 2 309.335 3.428 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414808151 433849628 /nfs/dbraw/zinc/84/96/28/433849628.db2.gz KJQJAOOSKNODKM-SJLPKXTDSA-N 3 2 303.494 3.147 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414808151 433849635 /nfs/dbraw/zinc/84/96/35/433849635.db2.gz KJQJAOOSKNODKM-SJLPKXTDSA-N 3 2 303.494 3.147 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414809810 433851599 /nfs/dbraw/zinc/85/15/99/433851599.db2.gz HAPKVFCDZWKCHW-GOSISDBHSA-N 2 2 323.912 3.412 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000414811971 433853547 /nfs/dbraw/zinc/85/35/47/433853547.db2.gz QLKKPLJXVZCSCM-UHFFFAOYSA-N 2 2 321.209 3.334 20 0 DGADLP COc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1OC ZINC000414811889 433855444 /nfs/dbraw/zinc/85/54/44/433855444.db2.gz OSZPOJPDXVORDY-UHFFFAOYSA-N 2 2 306.450 3.106 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC000414820385 433860194 /nfs/dbraw/zinc/86/01/94/433860194.db2.gz AQRVSHYKJTYGEU-MRXNPFEDSA-N 2 2 318.490 3.122 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414818057 433860582 /nfs/dbraw/zinc/86/05/82/433860582.db2.gz UOAAQPLIAYZRSO-OAHLLOKOSA-N 2 2 306.841 3.133 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832273 433866014 /nfs/dbraw/zinc/86/60/14/433866014.db2.gz OHPRLTVWQYPQEZ-RBUKOAKNSA-N 2 2 316.420 3.063 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)C1CCCCC1 ZINC000414839530 433871170 /nfs/dbraw/zinc/87/11/70/433871170.db2.gz LKYUWSYNDXTZEZ-NSHDSACASA-N 2 2 307.385 3.159 20 0 DGADLP CSc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871319 433895190 /nfs/dbraw/zinc/89/51/90/433895190.db2.gz ULEPFZVURVYQDM-GFCCVEGCSA-N 2 2 315.280 3.013 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(F)c2)cc1 ZINC000414876389 433895764 /nfs/dbraw/zinc/89/57/64/433895764.db2.gz DHPGQDDEZODVMV-RTBURBONSA-N 2 2 314.404 3.070 20 0 DGADLP Clc1ccccc1COc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414886096 433899164 /nfs/dbraw/zinc/89/91/64/433899164.db2.gz PVYDLDRKKFFSOO-INIZCTEOSA-N 2 2 316.832 3.371 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414911582 433912891 /nfs/dbraw/zinc/91/28/91/433912891.db2.gz WQOWNFFEPCFBJD-OAHLLOKOSA-N 2 2 301.459 3.350 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccc(F)cc2Br)CCC[NH2+]C1 ZINC000414913831 433913034 /nfs/dbraw/zinc/91/30/34/433913034.db2.gz WZYYXJJMTWIHNP-CQSZACIVSA-N 2 2 315.230 3.068 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293896379 433914076 /nfs/dbraw/zinc/91/40/76/433914076.db2.gz ZJVRSVRDQXQLNU-HUUCEWRRSA-N 3 2 300.450 3.029 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414952097 433935582 /nfs/dbraw/zinc/93/55/82/433935582.db2.gz QMFSMSGSUJBWER-KBXCAEBGSA-N 3 2 321.896 3.035 20 0 DGADLP C[C@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414926514 433919407 /nfs/dbraw/zinc/91/94/07/433919407.db2.gz JOLAMZLRTBDHOS-MRXNPFEDSA-N 2 2 320.440 3.035 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000414923623 433919859 /nfs/dbraw/zinc/91/98/59/433919859.db2.gz ITFYPRZXEFPHIQ-AEFFLSMTSA-N 3 2 321.896 3.164 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cs2)cc1 ZINC000414928399 433921708 /nfs/dbraw/zinc/92/17/08/433921708.db2.gz BBFMNUUFLMSTIZ-DZGCQCFKSA-N 2 2 301.459 3.349 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414933026 433922684 /nfs/dbraw/zinc/92/26/84/433922684.db2.gz TWIDNEHOUAJFIL-SFHVURJKSA-N 2 2 312.461 3.049 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414936614 433927116 /nfs/dbraw/zinc/92/71/16/433927116.db2.gz GWUFULPNJXUEDG-OALUTQOASA-N 2 2 300.446 3.490 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422639636 433936040 /nfs/dbraw/zinc/93/60/40/433936040.db2.gz TZNWFDCWLQHTDI-RDBSUJKOSA-N 2 2 318.440 3.001 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422639636 433936050 /nfs/dbraw/zinc/93/60/50/433936050.db2.gz TZNWFDCWLQHTDI-RDBSUJKOSA-N 2 2 318.440 3.001 20 0 DGADLP c1ccc(N2CCC([NH2+]C[C@@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414950505 433930800 /nfs/dbraw/zinc/93/08/00/433930800.db2.gz FGGWMYSPBGXEGX-NRFANRHFSA-N 2 2 321.468 3.132 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414942169 433932531 /nfs/dbraw/zinc/93/25/31/433932531.db2.gz BJQSDROAIBZNCF-BEFAXECRSA-N 2 2 310.441 3.103 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000414950333 433932622 /nfs/dbraw/zinc/93/26/22/433932622.db2.gz OKXKQMRHNITMDM-JOYOIKCWSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)CC[NH2+]1 ZINC000414950332 433932659 /nfs/dbraw/zinc/93/26/59/433932659.db2.gz OKXKQMRHNITMDM-CABZTGNLSA-N 2 2 317.658 3.333 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[NH2+]1 ZINC000414951003 433936104 /nfs/dbraw/zinc/93/61/04/433936104.db2.gz PKFHLESWKFIENN-CABZTGNLSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414951518 433934645 /nfs/dbraw/zinc/93/46/45/433934645.db2.gz JDPVYKOZQWRDBV-CABZTGNLSA-N 2 2 304.768 3.172 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414851352 433882300 /nfs/dbraw/zinc/88/23/00/433882300.db2.gz JBCYIUNSVNOIHK-RYUDHWBXSA-N 2 2 307.488 3.349 20 0 DGADLP COc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1OC(F)F ZINC000414850409 433882544 /nfs/dbraw/zinc/88/25/44/433882544.db2.gz YXZFGUXYQDSYEY-UHFFFAOYSA-N 2 2 314.376 3.048 20 0 DGADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]C1 ZINC000414849664 433882976 /nfs/dbraw/zinc/88/29/76/433882976.db2.gz HNBKGLUHFHYWGB-HIFRSBDPSA-N 2 2 301.459 3.288 20 0 DGADLP CC[C@H](C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC)[NH+](CC)CC ZINC000435998426 433883218 /nfs/dbraw/zinc/88/32/18/433883218.db2.gz VWROQZYXQRLSPW-HZPDHXFCSA-N 2 2 320.481 3.077 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000436308449 433934811 /nfs/dbraw/zinc/93/48/11/433934811.db2.gz MQGOOTUYQANQBR-NXWXRZEISA-N 2 2 308.510 3.433 20 0 DGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000436308449 433934820 /nfs/dbraw/zinc/93/48/20/433934820.db2.gz MQGOOTUYQANQBR-NXWXRZEISA-N 2 2 308.510 3.433 20 0 DGADLP CCOc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc(Cl)c1OC ZINC000414855598 433886219 /nfs/dbraw/zinc/88/62/19/433886219.db2.gz XFKINEVWALKMPP-CYBMUJFWSA-N 2 2 314.857 3.210 20 0 DGADLP Fc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414950955 433934812 /nfs/dbraw/zinc/93/48/12/433934812.db2.gz PGHKBXFVDJDDAO-YJBOKZPZSA-N 2 2 320.358 3.339 20 0 DGADLP FC(F)(F)c1cc(C[NH2+][C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000414865502 433892199 /nfs/dbraw/zinc/89/21/99/433892199.db2.gz CXCCMQCCKOBOQD-NSHDSACASA-N 2 2 312.257 3.176 20 0 DGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377649640 433942839 /nfs/dbraw/zinc/94/28/39/433942839.db2.gz IDRWIHNJQFULBH-QUCCMNQESA-N 2 2 321.553 3.305 20 0 DGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377649640 433942846 /nfs/dbraw/zinc/94/28/46/433942846.db2.gz IDRWIHNJQFULBH-QUCCMNQESA-N 2 2 321.553 3.305 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422730638 433956089 /nfs/dbraw/zinc/95/60/89/433956089.db2.gz MKJWUCGJHKLRRM-XYJFISCASA-N 3 2 303.494 3.094 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340181581 433963086 /nfs/dbraw/zinc/96/30/86/433963086.db2.gz QLDCASLRHHENDH-RDTXWAMCSA-N 2 2 301.434 3.282 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422739491 433963467 /nfs/dbraw/zinc/96/34/67/433963467.db2.gz LMDWTHZYMQZJNW-HOJAQTOUSA-N 3 2 315.505 3.190 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422739491 433963475 /nfs/dbraw/zinc/96/34/75/433963475.db2.gz LMDWTHZYMQZJNW-HOJAQTOUSA-N 3 2 315.505 3.190 20 0 DGADLP CSCc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000285484308 433964995 /nfs/dbraw/zinc/96/49/95/433964995.db2.gz LVBVGQNNSNUKAH-UHFFFAOYSA-N 2 2 301.459 3.300 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC1(C)C)c1cccc(OC)c1 ZINC000340180081 433966793 /nfs/dbraw/zinc/96/67/93/433966793.db2.gz BEJBAGSNEWWAJH-QZTJIDSGSA-N 2 2 320.477 3.235 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340186930 433968380 /nfs/dbraw/zinc/96/83/80/433968380.db2.gz YQBNEDGNTWLQPT-VQTJNVASSA-N 3 2 315.505 3.286 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340186930 433968385 /nfs/dbraw/zinc/96/83/85/433968385.db2.gz YQBNEDGNTWLQPT-VQTJNVASSA-N 3 2 315.505 3.286 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000436471028 433974053 /nfs/dbraw/zinc/97/40/53/433974053.db2.gz PEAMQKPGCUGSQP-WZOJCFFYSA-N 2 2 316.489 3.036 20 0 DGADLP CC(C)(C)C1CC([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000436471028 433974059 /nfs/dbraw/zinc/97/40/59/433974059.db2.gz PEAMQKPGCUGSQP-WZOJCFFYSA-N 2 2 316.489 3.036 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000340193270 433974454 /nfs/dbraw/zinc/97/44/54/433974454.db2.gz XIBNSBSDUCGPGZ-ROUUACIJSA-N 2 2 324.424 3.340 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000340193270 433974457 /nfs/dbraw/zinc/97/44/57/433974457.db2.gz XIBNSBSDUCGPGZ-ROUUACIJSA-N 2 2 324.424 3.340 20 0 DGADLP Cc1cccc2c1C[NH2+]CCN2Cc1ccc(N2CCCC2)[nH+]c1 ZINC000415103412 433975821 /nfs/dbraw/zinc/97/58/21/433975821.db2.gz PVWIKWITOBKKBL-UHFFFAOYSA-N 2 2 322.456 3.100 20 0 DGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422758194 433977526 /nfs/dbraw/zinc/97/75/26/433977526.db2.gz NQDABKHAYMPLBZ-YCPHGPKFSA-N 2 2 306.450 3.275 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422763373 433982403 /nfs/dbraw/zinc/98/24/03/433982403.db2.gz OXQMNMPHGDYVDB-CJNGLKHVSA-N 2 2 301.459 3.288 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422763372 433982451 /nfs/dbraw/zinc/98/24/51/433982451.db2.gz OXQMNMPHGDYVDB-BBRMVZONSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCc2cn3ccccc3[nH+]2)c(C)[nH+]1 ZINC000436493448 433984696 /nfs/dbraw/zinc/98/46/96/433984696.db2.gz LOKHQXDBPQHXKY-UHFFFAOYSA-N 2 2 323.400 3.019 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756458 433985486 /nfs/dbraw/zinc/98/54/86/433985486.db2.gz AWAWHUXQLPPEIL-GBESFXJTSA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000377756458 433985492 /nfs/dbraw/zinc/98/54/92/433985492.db2.gz AWAWHUXQLPPEIL-GBESFXJTSA-N 2 2 324.472 3.108 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772920 433986699 /nfs/dbraw/zinc/98/66/99/433986699.db2.gz ZHRBOYPDIZSOKC-BRSBDYLESA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422772920 433986706 /nfs/dbraw/zinc/98/67/06/433986706.db2.gz ZHRBOYPDIZSOKC-BRSBDYLESA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772922 433987211 /nfs/dbraw/zinc/98/72/11/433987211.db2.gz ZHRBOYPDIZSOKC-VSZNYVQBSA-N 3 2 307.526 3.007 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422772922 433987221 /nfs/dbraw/zinc/98/72/21/433987221.db2.gz ZHRBOYPDIZSOKC-VSZNYVQBSA-N 3 2 307.526 3.007 20 0 DGADLP C[N@H+](Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285412678 433937826 /nfs/dbraw/zinc/93/78/26/433937826.db2.gz FYVYXMHWYYTITA-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP C[N@@H+](Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285412678 433937833 /nfs/dbraw/zinc/93/78/33/433937833.db2.gz FYVYXMHWYYTITA-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285412678 433937840 /nfs/dbraw/zinc/93/78/40/433937840.db2.gz FYVYXMHWYYTITA-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP C[NH+](Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285412678 433937848 /nfs/dbraw/zinc/93/78/48/433937848.db2.gz FYVYXMHWYYTITA-YIONKMFJSA-N 2 2 317.458 3.460 20 0 DGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000414958643 433939771 /nfs/dbraw/zinc/93/97/71/433939771.db2.gz RISFMVHFDVTJRV-PXNSSMCTSA-N 2 2 322.452 3.029 20 0 DGADLP CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422701974 433940369 /nfs/dbraw/zinc/94/03/69/433940369.db2.gz JRZBRVUOEMIFTH-RBUKOAKNSA-N 2 2 315.505 3.073 20 0 DGADLP CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422701974 433940379 /nfs/dbraw/zinc/94/03/79/433940379.db2.gz JRZBRVUOEMIFTH-RBUKOAKNSA-N 2 2 315.505 3.073 20 0 DGADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OC)cc1 ZINC000352250823 434004884 /nfs/dbraw/zinc/00/48/84/434004884.db2.gz LJCKTANHZYIYRE-INIZCTEOSA-N 2 2 319.474 3.454 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3ccccc32)s1 ZINC000352250618 434005479 /nfs/dbraw/zinc/00/54/79/434005479.db2.gz JSWJAEOJTBBXDH-INIZCTEOSA-N 2 2 301.459 3.372 20 0 DGADLP Cc1cccc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000285603443 434008344 /nfs/dbraw/zinc/00/83/44/434008344.db2.gz PRGRDYLCZCSVCN-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000422800124 434008327 /nfs/dbraw/zinc/00/83/27/434008327.db2.gz AVJFGBCYESFKSE-PVAVHDDUSA-N 2 2 309.523 3.251 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000352260922 434009791 /nfs/dbraw/zinc/00/97/91/434009791.db2.gz GMUWPUMFHBWRLG-BRVCPTFNSA-N 2 2 313.445 3.359 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000422803033 434014783 /nfs/dbraw/zinc/01/47/83/434014783.db2.gz CHSFJUZUMXFMMB-KBPBESRZSA-N 2 2 315.230 3.338 20 0 DGADLP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422803864 434016843 /nfs/dbraw/zinc/01/68/43/434016843.db2.gz JUAVYWJLPVAKPQ-WNRNVDISSA-N 2 2 321.534 3.251 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340253363 434017262 /nfs/dbraw/zinc/01/72/62/434017262.db2.gz BKVAPYGSQDTHRY-HAGHYFMRSA-N 3 2 315.505 3.284 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340253363 434017269 /nfs/dbraw/zinc/01/72/69/434017269.db2.gz BKVAPYGSQDTHRY-HAGHYFMRSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422801039 434017805 /nfs/dbraw/zinc/01/78/05/434017805.db2.gz DLHAKDFWUYRBGU-KBXCAEBGSA-N 2 2 315.461 3.045 20 0 DGADLP c1ccc(C2CCC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422813401 434024086 /nfs/dbraw/zinc/02/40/86/434024086.db2.gz YCNXDOSHERBKND-DXBWTPJFSA-N 2 2 314.473 3.069 20 0 DGADLP c1ccc(C2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422813403 434025839 /nfs/dbraw/zinc/02/58/39/434025839.db2.gz YCNXDOSHERBKND-PEVDHWGLSA-N 2 2 314.473 3.069 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC000422825406 434029053 /nfs/dbraw/zinc/02/90/53/434029053.db2.gz AEOYGAXMZXUIMY-UXHICEINSA-N 3 2 318.424 3.166 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422822871 434030903 /nfs/dbraw/zinc/03/09/03/434030903.db2.gz BRKSVKUOLQJGRQ-HOTGVXAUSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422825574 434031008 /nfs/dbraw/zinc/03/10/08/434031008.db2.gz JSRMUPIRLASRIW-HFBAOOFYSA-N 2 2 310.388 3.396 20 0 DGADLP Fc1cccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2cccc(F)c2)c1 ZINC000422827216 434031394 /nfs/dbraw/zinc/03/13/94/434031394.db2.gz MTPONNIAUIFMRB-QZTJIDSGSA-N 2 2 302.368 3.200 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1F ZINC000340280503 434034438 /nfs/dbraw/zinc/03/44/38/434034438.db2.gz TUBZXBAKGIHGIN-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000285675281 434035720 /nfs/dbraw/zinc/03/57/20/434035720.db2.gz UMEMMIOYMOZKBG-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000285675281 434035727 /nfs/dbraw/zinc/03/57/27/434035727.db2.gz UMEMMIOYMOZKBG-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)cc1 ZINC000285675281 434035734 /nfs/dbraw/zinc/03/57/34/434035734.db2.gz UMEMMIOYMOZKBG-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)cc1 ZINC000285675281 434035746 /nfs/dbraw/zinc/03/57/46/434035746.db2.gz UMEMMIOYMOZKBG-FQEVSTJZSA-N 2 2 307.441 3.180 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000422827477 434037712 /nfs/dbraw/zinc/03/77/12/434037712.db2.gz NAAYVHHVYQJLLK-VQTJNVASSA-N 3 2 318.424 3.166 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1c[nH+]ccc1N ZINC000422842300 434045635 /nfs/dbraw/zinc/04/56/35/434045635.db2.gz XZEHTZMUQNIECC-RYRKJORJSA-N 3 2 324.472 3.198 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c[nH+]ccc1N ZINC000422842300 434045647 /nfs/dbraw/zinc/04/56/47/434045647.db2.gz XZEHTZMUQNIECC-RYRKJORJSA-N 3 2 324.472 3.198 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422776601 433995423 /nfs/dbraw/zinc/99/54/23/433995423.db2.gz DCYBKFLHEXLKOW-XLIONFOSSA-N 3 2 315.505 3.293 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]CCSc2ccccc2)s1 ZINC000352240175 433997889 /nfs/dbraw/zinc/99/78/89/433997889.db2.gz DWANSDHPHUTDJO-UHFFFAOYSA-N 2 2 307.488 3.087 20 0 DGADLP CC[C@H](C)C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000357413151 434001851 /nfs/dbraw/zinc/00/18/51/434001851.db2.gz NMTOMFBDNKWNCL-IBGZPJMESA-N 2 2 317.521 3.220 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340232038 434002156 /nfs/dbraw/zinc/00/21/56/434002156.db2.gz NQRBSCIFJRUOAH-HZPDHXFCSA-N 2 2 301.459 3.377 20 0 DGADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340232038 434002166 /nfs/dbraw/zinc/00/21/66/434002166.db2.gz NQRBSCIFJRUOAH-HZPDHXFCSA-N 2 2 301.459 3.377 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861185 434061410 /nfs/dbraw/zinc/06/14/10/434061410.db2.gz MMZLVKXYWYMKLZ-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861185 434061414 /nfs/dbraw/zinc/06/14/14/434061414.db2.gz MMZLVKXYWYMKLZ-HLIPFELVSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414951566 293892607 /nfs/dbraw/zinc/89/26/07/293892607.db2.gz JKCUUTMVLTTZQV-XVKPBYJWSA-N 2 2 323.687 3.394 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861189 434062774 /nfs/dbraw/zinc/06/27/74/434062774.db2.gz MMZLVKXYWYMKLZ-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422861189 434062785 /nfs/dbraw/zinc/06/27/85/434062785.db2.gz MMZLVKXYWYMKLZ-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCC[NH2+][C@H]3C)s2)cc1 ZINC000414959745 293894755 /nfs/dbraw/zinc/89/47/55/293894755.db2.gz UDJLRMRSXPPWOB-BBRMVZONSA-N 2 2 301.459 3.349 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)cc2)C1 ZINC000422867207 434066865 /nfs/dbraw/zinc/06/68/65/434066865.db2.gz RVIIIIWRRSWPPY-HLIPFELVSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)cc2)C1 ZINC000422867207 434066875 /nfs/dbraw/zinc/06/68/75/434066875.db2.gz RVIIIIWRRSWPPY-HLIPFELVSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]([NH2+]Cc1csc(Br)c1)c1c[nH+]ccc1N ZINC000422866751 434067100 /nfs/dbraw/zinc/06/71/00/434067100.db2.gz QXLHKUHRAQMGDB-MRVPVSSYSA-N 2 2 312.236 3.169 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000422872635 434069747 /nfs/dbraw/zinc/06/97/47/434069747.db2.gz HYXSHYXEKGVKNU-RHSMWYFYSA-N 2 2 324.896 3.265 20 0 DGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000357543869 434071727 /nfs/dbraw/zinc/07/17/27/434071727.db2.gz WEWXRVHIMKISBY-OAHLLOKOSA-N 2 2 314.433 3.490 20 0 DGADLP CCC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000422877870 434072350 /nfs/dbraw/zinc/07/23/50/434072350.db2.gz SDJHMEVCRFKBHZ-IFIJOSMWSA-N 2 2 312.404 3.163 20 0 DGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000357543868 434073494 /nfs/dbraw/zinc/07/34/94/434073494.db2.gz WEWXRVHIMKISBY-HNNXBMFYSA-N 2 2 314.433 3.490 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552307 434075478 /nfs/dbraw/zinc/07/54/78/434075478.db2.gz LSPZJXZSVQXFJL-GVDBMIGSSA-N 2 2 315.461 3.277 20 0 DGADLP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000357552307 434075487 /nfs/dbraw/zinc/07/54/87/434075487.db2.gz LSPZJXZSVQXFJL-GVDBMIGSSA-N 2 2 315.461 3.277 20 0 DGADLP Cn1c2ccccc2nc1[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422881326 434076441 /nfs/dbraw/zinc/07/64/41/434076441.db2.gz QCGRTVJTIABHPA-IBGZPJMESA-N 2 2 320.440 3.004 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422878590 434078729 /nfs/dbraw/zinc/07/87/29/434078729.db2.gz TXZJONOSIJSKLH-AHIWAGSCSA-N 2 2 306.425 3.406 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000422884076 434083720 /nfs/dbraw/zinc/08/37/20/434083720.db2.gz RPNPOZYTEXHEFS-IUODEOHRSA-N 2 2 316.367 3.248 20 0 DGADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000340357470 434085216 /nfs/dbraw/zinc/08/52/16/434085216.db2.gz XXBGDNPXXSIFTM-RDJZCZTQSA-N 2 2 315.848 3.462 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422888215 434086372 /nfs/dbraw/zinc/08/63/72/434086372.db2.gz CDHLILIEZCSUGB-WOUAJJJCSA-N 3 2 315.505 3.134 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422888215 434086378 /nfs/dbraw/zinc/08/63/78/434086378.db2.gz CDHLILIEZCSUGB-WOUAJJJCSA-N 3 2 315.505 3.134 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)CC(=O)Nc2cccc(F)c2)c[nH+]1 ZINC000353380089 434089114 /nfs/dbraw/zinc/08/91/14/434089114.db2.gz JONJWINQGDAHGY-UHFFFAOYSA-N 2 2 315.392 3.032 20 0 DGADLP Cc1ccc(CCC[N@H+](C)CC(=O)Nc2cccc(F)c2)c[nH+]1 ZINC000353380089 434089126 /nfs/dbraw/zinc/08/91/26/434089126.db2.gz JONJWINQGDAHGY-UHFFFAOYSA-N 2 2 315.392 3.032 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000340362350 434089510 /nfs/dbraw/zinc/08/95/10/434089510.db2.gz WBEJIFOHSHSBNQ-OKZBNKHCSA-N 2 2 316.470 3.207 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000340362350 434089515 /nfs/dbraw/zinc/08/95/15/434089515.db2.gz WBEJIFOHSHSBNQ-OKZBNKHCSA-N 2 2 316.470 3.207 20 0 DGADLP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422893233 434090031 /nfs/dbraw/zinc/09/00/31/434090031.db2.gz PNLLYMUIQZYPDD-RBUKOAKNSA-N 2 2 323.440 3.061 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@H]2CCC[NH2+]2)cc1 ZINC000422904980 434094865 /nfs/dbraw/zinc/09/48/65/434094865.db2.gz REOLKJYBSPEHHY-FDPIWHGQSA-N 2 2 318.461 3.036 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Br)cs1)c1c[nH+]ccc1N ZINC000422903188 434095510 /nfs/dbraw/zinc/09/55/10/434095510.db2.gz VSHPXXBPAZUVDK-MRVPVSSYSA-N 2 2 312.236 3.169 20 0 DGADLP COc1ccc(OCC[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353383579 434096257 /nfs/dbraw/zinc/09/62/57/434096257.db2.gz QWNKWDHGKRFBIE-UHFFFAOYSA-N 2 2 314.429 3.342 20 0 DGADLP COc1ccc(OCC[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353383579 434096268 /nfs/dbraw/zinc/09/62/68/434096268.db2.gz QWNKWDHGKRFBIE-UHFFFAOYSA-N 2 2 314.429 3.342 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746544 434097374 /nfs/dbraw/zinc/09/73/74/434097374.db2.gz UNNMZMZIAPFTDB-HOCLYGCPSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746544 434097388 /nfs/dbraw/zinc/09/73/88/434097388.db2.gz UNNMZMZIAPFTDB-HOCLYGCPSA-N 2 2 301.459 3.316 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340384390 434097511 /nfs/dbraw/zinc/09/75/11/434097511.db2.gz OCANURPUTSQPJA-XKGZKEIXSA-N 2 2 324.472 3.223 20 0 DGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340384390 434097517 /nfs/dbraw/zinc/09/75/17/434097517.db2.gz OCANURPUTSQPJA-XKGZKEIXSA-N 2 2 324.472 3.223 20 0 DGADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422849715 434051060 /nfs/dbraw/zinc/05/10/60/434051060.db2.gz CJCIMYAFMCGDID-JSGCOSHPSA-N 2 2 316.367 3.166 20 0 DGADLP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422851041 434052291 /nfs/dbraw/zinc/05/22/91/434052291.db2.gz DWQOBVSZVVDXKL-SJLPKXTDSA-N 2 2 320.477 3.031 20 0 DGADLP CC(C)[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305158214 434054505 /nfs/dbraw/zinc/05/45/05/434054505.db2.gz QPEIOUUHILNEHL-SFHVURJKSA-N 2 2 324.896 3.301 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000363448830 434054463 /nfs/dbraw/zinc/05/44/63/434054463.db2.gz HRQPPOQXWSYRMH-ZDUSSCGKSA-N 2 2 307.344 3.011 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000363448830 434054474 /nfs/dbraw/zinc/05/44/74/434054474.db2.gz HRQPPOQXWSYRMH-ZDUSSCGKSA-N 2 2 307.344 3.011 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422853710 434056888 /nfs/dbraw/zinc/05/68/88/434056888.db2.gz CDCGQWRPMPXLDM-YGRLFVJLSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1c(F)cncc1F ZINC000285751437 434059658 /nfs/dbraw/zinc/05/96/58/434059658.db2.gz RZVDEDDKXLAHPU-GFCCVEGCSA-N 2 2 318.371 3.074 20 0 DGADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000422910597 434103331 /nfs/dbraw/zinc/10/33/31/434103331.db2.gz IRILWHLLLUVTMH-JQWIXIFHSA-N 2 2 305.422 3.270 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309811161 434103390 /nfs/dbraw/zinc/10/33/90/434103390.db2.gz MVTMOMVHMHADDK-INIZCTEOSA-N 2 2 306.413 3.497 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309811161 434103396 /nfs/dbraw/zinc/10/33/96/434103396.db2.gz MVTMOMVHMHADDK-INIZCTEOSA-N 2 2 306.413 3.497 20 0 DGADLP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422911783 434103600 /nfs/dbraw/zinc/10/36/00/434103600.db2.gz LMJMGKOJPICBMH-STQMWFEESA-N 2 2 322.403 3.094 20 0 DGADLP c1cc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[nH+]cc1N1CCCCC1 ZINC000422919030 434108229 /nfs/dbraw/zinc/10/82/29/434108229.db2.gz IVNHRVMFQAQKFS-RCCFBDPRSA-N 2 2 314.477 3.405 20 0 DGADLP COc1ccncc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340409302 434109239 /nfs/dbraw/zinc/10/92/39/434109239.db2.gz UFYPHOIXKJDKOX-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)CCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422926240 434112193 /nfs/dbraw/zinc/11/21/93/434112193.db2.gz CIPZBVWUJPDBHZ-YLJYHZDGSA-N 3 2 317.521 3.176 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@H](C)CCCC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422926240 434112200 /nfs/dbraw/zinc/11/22/00/434112200.db2.gz CIPZBVWUJPDBHZ-YLJYHZDGSA-N 3 2 317.521 3.176 20 0 DGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422930032 434118550 /nfs/dbraw/zinc/11/85/50/434118550.db2.gz AUBKFTRVJOSSMJ-IIDMSEBBSA-N 2 2 317.477 3.291 20 0 DGADLP COc1cccc2c1cc[nH+]c2NCCCCn1cc[nH+]c1C ZINC000450347101 434120108 /nfs/dbraw/zinc/12/01/08/434120108.db2.gz GWFVVGBZZOEEMV-UHFFFAOYSA-N 2 2 310.401 3.063 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000422941965 434121695 /nfs/dbraw/zinc/12/16/95/434121695.db2.gz PBCHZBUDSFKNBN-DOMZBBRYSA-N 2 2 301.459 3.069 20 0 DGADLP Cc1ccc(CCC[N@@H+](C)CCOc2ccccc2F)c[nH+]1 ZINC000353386943 434101258 /nfs/dbraw/zinc/10/12/58/434101258.db2.gz WXSZLTTVQBCZOV-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP Cc1ccc(CCC[N@H+](C)CCOc2ccccc2F)c[nH+]1 ZINC000353386943 434101272 /nfs/dbraw/zinc/10/12/72/434101272.db2.gz WXSZLTTVQBCZOV-UHFFFAOYSA-N 2 2 302.393 3.473 20 0 DGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1OC1CCCC1 ZINC000422935315 434124913 /nfs/dbraw/zinc/12/49/13/434124913.db2.gz HEFIBYRMOARWEZ-RHSMWYFYSA-N 2 2 318.461 3.104 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701273 294091779 /nfs/dbraw/zinc/09/17/79/294091779.db2.gz YDFKZPWOSDMAJK-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000499701273 294091782 /nfs/dbraw/zinc/09/17/82/294091782.db2.gz YDFKZPWOSDMAJK-VDGAXYAQSA-N 2 2 316.489 3.444 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)cc1F ZINC000500502732 294115566 /nfs/dbraw/zinc/11/55/66/294115566.db2.gz XYSQWDQVSRHFKP-QCEMKRCNSA-N 2 2 318.436 3.295 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)cc1F ZINC000500502732 294115568 /nfs/dbraw/zinc/11/55/68/294115568.db2.gz XYSQWDQVSRHFKP-QCEMKRCNSA-N 2 2 318.436 3.295 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)C1 ZINC000500567551 294117621 /nfs/dbraw/zinc/11/76/21/294117621.db2.gz DYBKOGRQOYRVDU-NZUILWFCSA-N 2 2 306.425 3.010 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)C1 ZINC000500567551 294117623 /nfs/dbraw/zinc/11/76/23/294117623.db2.gz DYBKOGRQOYRVDU-NZUILWFCSA-N 2 2 306.425 3.010 20 0 DGADLP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346118953 434127616 /nfs/dbraw/zinc/12/76/16/434127616.db2.gz ZHQQIDFTTLAGJD-AEFFLSMTSA-N 2 2 319.518 3.310 20 0 DGADLP Cn1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C(C)(C)C)n1 ZINC000342695566 294234297 /nfs/dbraw/zinc/23/42/97/294234297.db2.gz XMFINMKZHZSJLQ-UHFFFAOYSA-N 2 2 318.509 3.168 20 0 DGADLP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000378275868 434129244 /nfs/dbraw/zinc/12/92/44/434129244.db2.gz XOMKPFIDHAAKTB-KRWDZBQOSA-N 2 2 323.444 3.066 20 0 DGADLP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000378275868 434129251 /nfs/dbraw/zinc/12/92/51/434129251.db2.gz XOMKPFIDHAAKTB-KRWDZBQOSA-N 2 2 323.444 3.066 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000506370017 294270198 /nfs/dbraw/zinc/27/01/98/294270198.db2.gz OKSCRJRMDIDGSN-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CC1(C)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509006773 294338265 /nfs/dbraw/zinc/33/82/65/294338265.db2.gz BWZJKVVLQJQMMP-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000422951418 434131131 /nfs/dbraw/zinc/13/11/31/434131131.db2.gz YLSUYRIASZIXMV-ZIAGYGMSSA-N 2 2 315.230 3.338 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422956379 434136491 /nfs/dbraw/zinc/13/64/91/434136491.db2.gz KZCUVCWVGOKMBP-KGLIPLIRSA-N 2 2 315.230 3.208 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422956378 434137050 /nfs/dbraw/zinc/13/70/50/434137050.db2.gz KZCUVCWVGOKMBP-KBPBESRZSA-N 2 2 315.230 3.208 20 0 DGADLP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)c(F)c1 ZINC000423016164 434165581 /nfs/dbraw/zinc/16/55/81/434165581.db2.gz MBTWDVQOSPAKQK-BZSNNMDCSA-N 2 2 318.367 3.387 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC000340454958 434139680 /nfs/dbraw/zinc/13/96/80/434139680.db2.gz MQRVNWJTDGGLCU-GRDNDAEWSA-N 2 2 316.424 3.002 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)C1 ZINC000340454958 434139689 /nfs/dbraw/zinc/13/96/89/434139689.db2.gz MQRVNWJTDGGLCU-GRDNDAEWSA-N 2 2 316.424 3.002 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422983875 434154249 /nfs/dbraw/zinc/15/42/49/434154249.db2.gz VNDVWXDGUBDELJ-CRAIPNDOSA-N 2 2 310.445 3.052 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423013314 434168630 /nfs/dbraw/zinc/16/86/30/434168630.db2.gz FNMHXLHUGKMGSM-UGGSBELWSA-N 2 2 312.816 3.039 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCSC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423101458 434220252 /nfs/dbraw/zinc/22/02/52/434220252.db2.gz CYDAGPLFGQBHRI-IAGOWNOFSA-N 2 2 308.491 3.220 20 0 DGADLP Clc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000423018949 434173086 /nfs/dbraw/zinc/17/30/86/434173086.db2.gz SNRPKDOBEVIZNM-WBVHZDCISA-N 2 2 301.821 3.318 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000340523496 434178544 /nfs/dbraw/zinc/17/85/44/434178544.db2.gz DYPHHGXAJSAACI-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP CC[N@H+](CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C)C1CC1 ZINC000353497923 434179420 /nfs/dbraw/zinc/17/94/20/434179420.db2.gz QCEWAAKEOXRUNR-CQSZACIVSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C)C1CC1 ZINC000353497923 434179429 /nfs/dbraw/zinc/17/94/29/434179429.db2.gz QCEWAAKEOXRUNR-CQSZACIVSA-N 2 2 320.477 3.017 20 0 DGADLP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450435038 434179933 /nfs/dbraw/zinc/17/99/33/434179933.db2.gz NXHQNMFMIRXXLS-NSHDSACASA-N 2 2 307.800 3.415 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)C1CC1 ZINC000353497922 434180831 /nfs/dbraw/zinc/18/08/31/434180831.db2.gz QCEWAAKEOXRUNR-AWEZNQCLSA-N 2 2 320.477 3.017 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)C1CC1 ZINC000353497922 434180837 /nfs/dbraw/zinc/18/08/37/434180837.db2.gz QCEWAAKEOXRUNR-AWEZNQCLSA-N 2 2 320.477 3.017 20 0 DGADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000363922907 434184012 /nfs/dbraw/zinc/18/40/12/434184012.db2.gz PGPUSKOZWCTGMU-LJQANCHMSA-N 2 2 321.428 3.251 20 0 DGADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000363922907 434184025 /nfs/dbraw/zinc/18/40/25/434184025.db2.gz PGPUSKOZWCTGMU-LJQANCHMSA-N 2 2 321.428 3.251 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000450449025 434189815 /nfs/dbraw/zinc/18/98/15/434189815.db2.gz BFBARNQXKXROJR-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000450449025 434189823 /nfs/dbraw/zinc/18/98/23/434189823.db2.gz BFBARNQXKXROJR-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000450449025 434189832 /nfs/dbraw/zinc/18/98/32/434189832.db2.gz BFBARNQXKXROJR-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000450449025 434189840 /nfs/dbraw/zinc/18/98/40/434189840.db2.gz BFBARNQXKXROJR-SFHVURJKSA-N 2 2 300.446 3.053 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423064828 434198760 /nfs/dbraw/zinc/19/87/60/434198760.db2.gz SDKVWCMGYOWJKD-ILXRZTDVSA-N 2 2 300.368 3.453 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061402 434199628 /nfs/dbraw/zinc/19/96/28/434199628.db2.gz KQMKDWSXXFXOSA-VAMGGRTRSA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000423061402 434199636 /nfs/dbraw/zinc/19/96/36/434199636.db2.gz KQMKDWSXXFXOSA-VAMGGRTRSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000450470228 434207050 /nfs/dbraw/zinc/20/70/50/434207050.db2.gz TZBRYANUVNOOLB-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)CC[N@H+]1C ZINC000450470228 434207064 /nfs/dbraw/zinc/20/70/64/434207064.db2.gz TZBRYANUVNOOLB-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470228 434207075 /nfs/dbraw/zinc/20/70/75/434207075.db2.gz TZBRYANUVNOOLB-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC[NH+]1C ZINC000450470228 434207087 /nfs/dbraw/zinc/20/70/87/434207087.db2.gz TZBRYANUVNOOLB-YOEHRIQHSA-N 2 2 306.425 3.203 20 0 DGADLP c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000423077368 434210352 /nfs/dbraw/zinc/21/03/52/434210352.db2.gz LVTZIRDULVESJC-WCIQWLHISA-N 2 2 314.473 3.069 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000437090566 434213938 /nfs/dbraw/zinc/21/39/38/434213938.db2.gz IXMQJVURYGSLPD-RDJZCZTQSA-N 2 2 301.478 3.246 20 0 DGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000437090566 434213942 /nfs/dbraw/zinc/21/39/42/434213942.db2.gz IXMQJVURYGSLPD-RDJZCZTQSA-N 2 2 301.478 3.246 20 0 DGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000423089520 434214285 /nfs/dbraw/zinc/21/42/85/434214285.db2.gz SLCMSVGLFKNAPY-XJKSGUPXSA-N 2 2 315.392 3.101 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437098591 434216642 /nfs/dbraw/zinc/21/66/42/434216642.db2.gz QCIOEBZVVIWVJI-GOSISDBHSA-N 2 2 304.478 3.302 20 0 DGADLP CC[NH+]1CCC([NH2+]C[C@@H](c2ccc(SC)cc2)N(C)C)CC1 ZINC000295125772 434219160 /nfs/dbraw/zinc/21/91/60/434219160.db2.gz ZEXKXRBTLLODFY-SFHVURJKSA-N 2 2 321.534 3.085 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2nccn21 ZINC000295177073 434243031 /nfs/dbraw/zinc/24/30/31/434243031.db2.gz GYKYJYWZKXYZPM-APWZRJJASA-N 2 2 324.472 3.186 20 0 DGADLP CN(CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000353615563 434276032 /nfs/dbraw/zinc/27/60/32/434276032.db2.gz WPVBUJYMKBUULJ-UHFFFAOYSA-N 2 2 320.440 3.441 20 0 DGADLP CN(CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000353615563 434276041 /nfs/dbraw/zinc/27/60/41/434276041.db2.gz WPVBUJYMKBUULJ-UHFFFAOYSA-N 2 2 320.440 3.441 20 0 DGADLP CC[C@H](COCC(F)(F)F)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000295179845 434247665 /nfs/dbraw/zinc/24/76/65/434247665.db2.gz VOTASUQTCUOZBJ-GFCCVEGCSA-N 2 2 315.339 3.090 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000378888258 434252724 /nfs/dbraw/zinc/25/27/24/434252724.db2.gz NQSMSKCLZDOCPB-UKBAYJJMSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000378888258 434252733 /nfs/dbraw/zinc/25/27/33/434252733.db2.gz NQSMSKCLZDOCPB-UKBAYJJMSA-N 2 2 302.462 3.197 20 0 DGADLP CC(C)c1nc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000346743130 434257960 /nfs/dbraw/zinc/25/79/60/434257960.db2.gz NHOGMONZQRERHC-HZPDHXFCSA-N 2 2 304.482 3.770 20 0 DGADLP CCn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654258 434258823 /nfs/dbraw/zinc/25/88/23/434258823.db2.gz HWFYMPAGMPMTJB-FUHWJXTLSA-N 2 2 312.461 3.046 20 0 DGADLP CCn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654258 434258831 /nfs/dbraw/zinc/25/88/31/434258831.db2.gz HWFYMPAGMPMTJB-FUHWJXTLSA-N 2 2 312.461 3.046 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379626617 434259515 /nfs/dbraw/zinc/25/95/15/434259515.db2.gz MGALFJDFOOUFED-BEFAXECRSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000379626617 434259524 /nfs/dbraw/zinc/25/95/24/434259524.db2.gz MGALFJDFOOUFED-BEFAXECRSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379636739 434261146 /nfs/dbraw/zinc/26/11/46/434261146.db2.gz XUQHBMATIUYVFQ-MDNKFWRPSA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379636739 434261150 /nfs/dbraw/zinc/26/11/50/434261150.db2.gz XUQHBMATIUYVFQ-MDNKFWRPSA-N 3 2 315.505 3.147 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1Cl ZINC000423167182 434263020 /nfs/dbraw/zinc/26/30/20/434263020.db2.gz DRUPVWQIDIRGJT-MNOVXSKESA-N 2 2 303.631 3.072 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423181079 434265247 /nfs/dbraw/zinc/26/52/47/434265247.db2.gz FICJPBZSQGPUAR-XJKSGUPXSA-N 2 2 315.486 3.445 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)CCC(=O)c2ccc(OC)cc2)CC1 ZINC000286433721 434265996 /nfs/dbraw/zinc/26/59/96/434265996.db2.gz NCWNDPYUVXHWAL-UHFFFAOYSA-N 2 2 318.461 3.074 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)CCC(=O)c2ccc(OC)cc2)CC1 ZINC000286433721 434266004 /nfs/dbraw/zinc/26/60/04/434266004.db2.gz NCWNDPYUVXHWAL-UHFFFAOYSA-N 2 2 318.461 3.074 20 0 DGADLP Brc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)s1 ZINC000423177097 434267556 /nfs/dbraw/zinc/26/75/56/434267556.db2.gz AFFYHFQGVRZTMF-MFKMUULPSA-N 2 2 315.280 3.303 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cnn1-c1cc(C)ccc1C ZINC000423191243 434275446 /nfs/dbraw/zinc/27/54/46/434275446.db2.gz OUBNTBFKWBZHKX-NVXWUHKLSA-N 2 2 312.461 3.200 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]C2CCC(O)CC2)c2ccccc2)CC1 ZINC000286286196 434221507 /nfs/dbraw/zinc/22/15/07/434221507.db2.gz VZFPEIFPVLRICZ-SOAGJPPSSA-N 2 2 316.489 3.353 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000353551860 434221691 /nfs/dbraw/zinc/22/16/91/434221691.db2.gz LPGIRYAFZHVRTP-SJORKVTESA-N 2 2 318.461 3.001 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000295142565 434222535 /nfs/dbraw/zinc/22/25/35/434222535.db2.gz IXPJPMWXAIPESG-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000295142565 434222540 /nfs/dbraw/zinc/22/25/40/434222540.db2.gz IXPJPMWXAIPESG-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP CCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Cl ZINC000423108980 434223744 /nfs/dbraw/zinc/22/37/44/434223744.db2.gz SABMHEQFRKYJDF-LLVKDONJSA-N 2 2 305.809 3.397 20 0 DGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110779 434224333 /nfs/dbraw/zinc/22/43/33/434224333.db2.gz VDKHWBWOWKCLQO-YOEHRIQHSA-N 3 2 311.901 3.440 20 0 DGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423110779 434224340 /nfs/dbraw/zinc/22/43/40/434224340.db2.gz VDKHWBWOWKCLQO-YOEHRIQHSA-N 3 2 311.901 3.440 20 0 DGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423114036 434228628 /nfs/dbraw/zinc/22/86/28/434228628.db2.gz ZUBARICSIZLEAY-DLBZAZTESA-N 2 2 305.441 3.176 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423125266 434233094 /nfs/dbraw/zinc/23/30/94/434233094.db2.gz QBUHEIJLBYQIBQ-YUELXQCFSA-N 2 2 300.368 3.138 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000357996733 434279185 /nfs/dbraw/zinc/27/91/85/434279185.db2.gz SPMKSYUVDRPRIN-PMUMKWKESA-N 2 2 315.461 3.026 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000357996733 434279195 /nfs/dbraw/zinc/27/91/95/434279195.db2.gz SPMKSYUVDRPRIN-PMUMKWKESA-N 2 2 315.461 3.026 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000423217979 434289207 /nfs/dbraw/zinc/28/92/07/434289207.db2.gz TVLJECBJZUDAMV-SMDDNHRTSA-N 2 2 309.251 3.123 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423219421 434291464 /nfs/dbraw/zinc/29/14/64/434291464.db2.gz WPNMLTAOZOAGHJ-KGLIPLIRSA-N 2 2 301.459 3.460 20 0 DGADLP C[C@@H](c1csnn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450611600 434292328 /nfs/dbraw/zinc/29/23/28/434292328.db2.gz PRRLMSSJCAKOFR-AWEZNQCLSA-N 2 2 308.495 3.187 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](Cn2cccn2)C(C)C)cc1 ZINC000423233001 434301525 /nfs/dbraw/zinc/30/15/25/434301525.db2.gz DBLSHUQZOWUOFI-MOPGFXCFSA-N 2 2 314.477 3.321 20 0 DGADLP CC(C)[C@H](NC(=O)CC[C@H]([NH3+])CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000516925911 294640408 /nfs/dbraw/zinc/64/04/08/294640408.db2.gz MWTFIBICFZEUJS-RDJZCZTQSA-N 2 2 320.481 3.301 20 0 DGADLP COC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423240120 434303215 /nfs/dbraw/zinc/30/32/15/434303215.db2.gz KMFZWSMRYMTRPX-IRXDYDNUSA-N 2 2 304.821 3.317 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048370 434308427 /nfs/dbraw/zinc/30/84/27/434308427.db2.gz PREUJDQLIBJICC-YDHLFZDLSA-N 2 2 316.474 3.196 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000358048370 434308442 /nfs/dbraw/zinc/30/84/42/434308442.db2.gz PREUJDQLIBJICC-YDHLFZDLSA-N 2 2 316.474 3.196 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(OC)c1 ZINC000423248265 434308855 /nfs/dbraw/zinc/30/88/55/434308855.db2.gz RISWOYGRLPRDDZ-GUYCJALGSA-N 2 2 300.402 3.054 20 0 DGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245845 434310858 /nfs/dbraw/zinc/31/08/58/434310858.db2.gz YUCDCPHOWJYFSD-XJKSGUPXSA-N 2 2 315.486 3.445 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000386835050 434310869 /nfs/dbraw/zinc/31/08/69/434310869.db2.gz ILZPPBLOIWDIGO-MRXNPFEDSA-N 2 2 300.421 3.478 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000386835050 434310884 /nfs/dbraw/zinc/31/08/84/434310884.db2.gz ILZPPBLOIWDIGO-MRXNPFEDSA-N 2 2 300.421 3.478 20 0 DGADLP CC[C@@H](NC[C@H]([NH3+])c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000423252610 434312910 /nfs/dbraw/zinc/31/29/10/434312910.db2.gz XUYUDMSWIAVFQC-DLBZAZTESA-N 2 2 300.450 3.284 20 0 DGADLP C[C@H](CCCC[NH3+])[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386807312 434313982 /nfs/dbraw/zinc/31/39/82/434313982.db2.gz CWMBIPUCKWUMLK-QGZVFWFLSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@H](CCCC[NH3+])[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386807312 434313992 /nfs/dbraw/zinc/31/39/92/434313992.db2.gz CWMBIPUCKWUMLK-QGZVFWFLSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Br)ccc1F ZINC000386439930 434314766 /nfs/dbraw/zinc/31/47/66/434314766.db2.gz CGKFWUUXHMODRG-WDEREUQCSA-N 2 2 317.246 3.437 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058837 434316133 /nfs/dbraw/zinc/31/61/33/434316133.db2.gz RGJFYCDKOGRTTG-YPMHNXCESA-N 2 2 314.351 3.473 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000387058837 434316142 /nfs/dbraw/zinc/31/61/42/434316142.db2.gz RGJFYCDKOGRTTG-YPMHNXCESA-N 2 2 314.351 3.473 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955321 434316633 /nfs/dbraw/zinc/31/66/33/434316633.db2.gz YEZSCMKCIONCHZ-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000386955321 434316642 /nfs/dbraw/zinc/31/66/42/434316642.db2.gz YEZSCMKCIONCHZ-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703868 434320071 /nfs/dbraw/zinc/32/00/71/434320071.db2.gz XGRRBLRQPYNRRF-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703868 434320075 /nfs/dbraw/zinc/32/00/75/434320075.db2.gz XGRRBLRQPYNRRF-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703868 434320083 /nfs/dbraw/zinc/32/00/83/434320083.db2.gz XGRRBLRQPYNRRF-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000437703868 434320090 /nfs/dbraw/zinc/32/00/90/434320090.db2.gz XGRRBLRQPYNRRF-FUHWJXTLSA-N 2 2 317.477 3.177 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@@H]1[NH3+] ZINC000387546846 434323051 /nfs/dbraw/zinc/32/30/51/434323051.db2.gz XNYPOIZTGAVZKZ-WBMJQRKESA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@@H]1[NH3+] ZINC000387546846 434323056 /nfs/dbraw/zinc/32/30/56/434323056.db2.gz XNYPOIZTGAVZKZ-WBMJQRKESA-N 2 2 303.381 3.040 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1Cl ZINC000423270395 434326991 /nfs/dbraw/zinc/32/69/91/434326991.db2.gz WNHZSBAZFGAPBO-RYUDHWBXSA-N 2 2 314.857 3.381 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437768426 434329702 /nfs/dbraw/zinc/32/97/02/434329702.db2.gz BDCJTDFTWHQWTR-YZGWKJHDSA-N 2 2 316.489 3.197 20 0 DGADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000423196418 434277708 /nfs/dbraw/zinc/27/77/08/434277708.db2.gz VGVZEVUKBKKMTH-ZWKOTPCHSA-N 2 2 315.848 3.360 20 0 DGADLP Brc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423195990 434278404 /nfs/dbraw/zinc/27/84/04/434278404.db2.gz UEYBZQICWPEDFT-IAQYHMDHSA-N 2 2 309.251 3.168 20 0 DGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC(F)F ZINC000423317340 434361608 /nfs/dbraw/zinc/36/16/08/434361608.db2.gz KLSSHCOUOINLFI-QPUJVOFHSA-N 2 2 304.768 3.329 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]CCC2CCOCC2)cc1 ZINC000390653352 434368375 /nfs/dbraw/zinc/36/83/75/434368375.db2.gz ZPKZWQNZGPZBAD-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]CCC2CCOCC2)cc1 ZINC000390653352 434368383 /nfs/dbraw/zinc/36/83/83/434368383.db2.gz ZPKZWQNZGPZBAD-IBGZPJMESA-N 2 2 302.462 3.057 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287473606 434370890 /nfs/dbraw/zinc/37/08/90/434370890.db2.gz WMYOWEJJOIPENK-GWFLUQINSA-N 2 2 302.462 3.197 20 0 DGADLP COC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287473606 434370894 /nfs/dbraw/zinc/37/08/94/434370894.db2.gz WMYOWEJJOIPENK-GWFLUQINSA-N 2 2 302.462 3.197 20 0 DGADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000353727564 434371842 /nfs/dbraw/zinc/37/18/42/434371842.db2.gz IVIKMUYBUQZKSM-CYBMUJFWSA-N 2 2 316.449 3.327 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000423343927 434376138 /nfs/dbraw/zinc/37/61/38/434376138.db2.gz WNIQLDVXUIBMQT-YSSFQJQWSA-N 2 2 310.441 3.492 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2nc3ccc(OC)cc3s2)CC1 ZINC000353735833 434377235 /nfs/dbraw/zinc/37/72/35/434377235.db2.gz IDPZXSRRKBIYTK-UHFFFAOYSA-N 2 2 319.474 3.269 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CC1(C)C ZINC000417391146 434378349 /nfs/dbraw/zinc/37/83/49/434378349.db2.gz ADPTZRLQVHYBCZ-MSOLQXFVSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000392245865 434383373 /nfs/dbraw/zinc/38/33/73/434383373.db2.gz QBAZIBVHVYPTQJ-CQSZACIVSA-N 2 2 323.278 3.232 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000392245865 434383382 /nfs/dbraw/zinc/38/33/82/434383382.db2.gz QBAZIBVHVYPTQJ-CQSZACIVSA-N 2 2 323.278 3.232 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000423362979 434385243 /nfs/dbraw/zinc/38/52/43/434385243.db2.gz UJFQSGHVTVXGEJ-CXAGYDPISA-N 2 2 311.385 3.201 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)s1 ZINC000450751820 434386544 /nfs/dbraw/zinc/38/65/44/434386544.db2.gz FFRYVQAZXQDBPI-LSDHHAIUSA-N 2 2 322.522 3.406 20 0 DGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000348543853 434389884 /nfs/dbraw/zinc/38/98/84/434389884.db2.gz HNYXUJHMGXTCTD-LBPRGKRZSA-N 2 2 305.426 3.003 20 0 DGADLP CSC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423281729 434337732 /nfs/dbraw/zinc/33/77/32/434337732.db2.gz UPPYPFHQINKJRG-KGLIPLIRSA-N 2 2 318.408 3.436 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@@H]2CCC[C@H]21 ZINC000353692647 434343265 /nfs/dbraw/zinc/34/32/65/434343265.db2.gz WDXYZRUCSHOVMY-GBESFXJTSA-N 2 2 322.456 3.106 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@@H]2CCC[C@H]21 ZINC000353692647 434343273 /nfs/dbraw/zinc/34/32/73/434343273.db2.gz WDXYZRUCSHOVMY-GBESFXJTSA-N 2 2 322.456 3.106 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@H]2CCC[C@H]21 ZINC000353692639 434345780 /nfs/dbraw/zinc/34/57/80/434345780.db2.gz WDXYZRUCSHOVMY-CEXWTWQISA-N 2 2 322.456 3.106 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)[C@H]2CCC[C@H]21 ZINC000353692639 434345785 /nfs/dbraw/zinc/34/57/85/434345785.db2.gz WDXYZRUCSHOVMY-CEXWTWQISA-N 2 2 322.456 3.106 20 0 DGADLP CCC([NH3+])(CC)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000423290214 434346200 /nfs/dbraw/zinc/34/62/00/434346200.db2.gz ZPFWKEUPPULVRF-QGZVFWFLSA-N 2 2 301.409 3.417 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000389237741 434347138 /nfs/dbraw/zinc/34/71/38/434347138.db2.gz KBVAVWKOGHDPJT-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000389237741 434347145 /nfs/dbraw/zinc/34/71/45/434347145.db2.gz KBVAVWKOGHDPJT-UKRRQHHQSA-N 2 2 309.251 3.120 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321292 434354448 /nfs/dbraw/zinc/35/44/48/434354448.db2.gz LHPGTLJAFXSGCN-VVLHAWIVSA-N 2 2 322.518 3.187 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000417321292 434354457 /nfs/dbraw/zinc/35/44/57/434354457.db2.gz LHPGTLJAFXSGCN-VVLHAWIVSA-N 2 2 322.518 3.187 20 0 DGADLP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000423312783 434354570 /nfs/dbraw/zinc/35/45/70/434354570.db2.gz VSOGYNDMORSUOZ-IAQYHMDHSA-N 2 2 323.234 3.316 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cnn1-c1cccc(Cl)c1 ZINC000423314425 434354903 /nfs/dbraw/zinc/35/49/03/434354903.db2.gz HCTRHGFQHHYGNH-GTNSWQLSSA-N 2 2 318.852 3.222 20 0 DGADLP CCOc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1O ZINC000353711165 434356406 /nfs/dbraw/zinc/35/64/06/434356406.db2.gz MTWFSICLRMOLJG-UHFFFAOYSA-N 2 2 323.396 3.266 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000287423280 434356777 /nfs/dbraw/zinc/35/67/77/434356777.db2.gz SLGHQJUQYRUWDL-FCEWJHQRSA-N 2 2 312.461 3.217 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000287423280 434356787 /nfs/dbraw/zinc/35/67/87/434356787.db2.gz SLGHQJUQYRUWDL-FCEWJHQRSA-N 2 2 312.461 3.217 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423318504 434356948 /nfs/dbraw/zinc/35/69/48/434356948.db2.gz BUTMDQWEULWDDS-WBVHZDCISA-N 2 2 310.869 3.192 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCC2)cnn1-c1cc(C)ccc1C ZINC000423319413 434358733 /nfs/dbraw/zinc/35/87/33/434358733.db2.gz FFEQGYHQBVMKBV-OAHLLOKOSA-N 2 2 312.461 3.330 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423481574 434446235 /nfs/dbraw/zinc/44/62/35/434446235.db2.gz WXFVQYWNCBXRAX-SJLPKXTDSA-N 2 2 302.393 3.251 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2O)C1 ZINC000348691691 434447398 /nfs/dbraw/zinc/44/73/98/434447398.db2.gz CURVJETWHQMAPS-XGXHKWSGSA-N 2 2 302.462 3.105 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2O)C1 ZINC000348691691 434447407 /nfs/dbraw/zinc/44/74/07/434447407.db2.gz CURVJETWHQMAPS-XGXHKWSGSA-N 2 2 302.462 3.105 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423385936 434394439 /nfs/dbraw/zinc/39/44/39/434394439.db2.gz RMLVYAYVPNANQS-OLZOCXBDSA-N 2 2 320.868 3.483 20 0 DGADLP Cc1ccc2[nH+]c(CN(CC[NH+](C)C)Cc3ccccc3)cn2c1 ZINC000340859689 434395401 /nfs/dbraw/zinc/39/54/01/434395401.db2.gz IBWLOEPLTNUXCS-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC[NH2+]1 ZINC000423385915 434395337 /nfs/dbraw/zinc/39/53/37/434395337.db2.gz RKOVRJYCRSUKNQ-CDHAZOANSA-N 2 2 317.383 3.179 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423394293 434403858 /nfs/dbraw/zinc/40/38/58/434403858.db2.gz RYMANCHVYKOFAI-YJBOKZPZSA-N 3 2 312.461 3.301 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752304 434404228 /nfs/dbraw/zinc/40/42/28/434404228.db2.gz RZROOEOSIRHDQC-WBVHZDCISA-N 2 2 318.461 3.153 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752304 434404233 /nfs/dbraw/zinc/40/42/33/434404233.db2.gz RZROOEOSIRHDQC-WBVHZDCISA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752304 434404240 /nfs/dbraw/zinc/40/42/40/434404240.db2.gz RZROOEOSIRHDQC-WBVHZDCISA-N 2 2 318.461 3.153 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2OCCCO3)C[C@H]1C ZINC000353752304 434404244 /nfs/dbraw/zinc/40/42/44/434404244.db2.gz RZROOEOSIRHDQC-WBVHZDCISA-N 2 2 318.461 3.153 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753664 434404783 /nfs/dbraw/zinc/40/47/83/434404783.db2.gz XJTNCZGURFKWRF-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753664 434404793 /nfs/dbraw/zinc/40/47/93/434404793.db2.gz XJTNCZGURFKWRF-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753664 434404801 /nfs/dbraw/zinc/40/48/01/434404801.db2.gz XJTNCZGURFKWRF-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000353753664 434404809 /nfs/dbraw/zinc/40/48/09/434404809.db2.gz XJTNCZGURFKWRF-GOEBONIOSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752684 434405480 /nfs/dbraw/zinc/40/54/80/434405480.db2.gz TWMYLIWKGSGZRP-CHWSQXEVSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752684 434405487 /nfs/dbraw/zinc/40/54/87/434405487.db2.gz TWMYLIWKGSGZRP-CHWSQXEVSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752684 434405495 /nfs/dbraw/zinc/40/54/95/434405495.db2.gz TWMYLIWKGSGZRP-CHWSQXEVSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ncccc2C(F)(F)F)C[C@H]1C ZINC000353752684 434405504 /nfs/dbraw/zinc/40/55/04/434405504.db2.gz TWMYLIWKGSGZRP-CHWSQXEVSA-N 2 2 315.383 3.405 20 0 DGADLP C[NH2+][C@@H](C)C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423402814 434407778 /nfs/dbraw/zinc/40/77/78/434407778.db2.gz XDZBRCNOVMJLDN-SUMWQHHRSA-N 2 2 303.837 3.216 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423412855 434409654 /nfs/dbraw/zinc/40/96/54/434409654.db2.gz IWVVVKZVIHKQNF-WMLDXEAASA-N 2 2 308.491 3.218 20 0 DGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423415947 434410775 /nfs/dbraw/zinc/41/07/75/434410775.db2.gz FJRMLCHZZIAGDR-JRBPQWBISA-N 2 2 314.473 3.058 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107109 434410734 /nfs/dbraw/zinc/41/07/34/434410734.db2.gz HOTUZVAPQBKFAL-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107109 434410742 /nfs/dbraw/zinc/41/07/42/434410742.db2.gz HOTUZVAPQBKFAL-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107109 434410751 /nfs/dbraw/zinc/41/07/51/434410751.db2.gz HOTUZVAPQBKFAL-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107109 434410760 /nfs/dbraw/zinc/41/07/60/434410760.db2.gz HOTUZVAPQBKFAL-CQSZACIVSA-N 2 2 303.425 3.471 20 0 DGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423413038 434412872 /nfs/dbraw/zinc/41/28/72/434412872.db2.gz JHXZMINTSQYUOD-HOCLYGCPSA-N 2 2 314.832 3.288 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CCC[NH2+]1 ZINC000423417717 434415384 /nfs/dbraw/zinc/41/53/84/434415384.db2.gz SSRLTXDOWONAAG-QZTJIDSGSA-N 2 2 306.450 3.178 20 0 DGADLP Fc1cccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(Cl)c2)c1 ZINC000423424138 434417573 /nfs/dbraw/zinc/41/75/73/434417573.db2.gz FIEKCBWKLRHGDM-XWTMOSNGSA-N 2 2 316.807 3.376 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(F)cn1 ZINC000287684127 434427493 /nfs/dbraw/zinc/42/74/93/434427493.db2.gz MUQMGJOXAYKSEZ-ZIAGYGMSSA-N 2 2 309.429 3.144 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000348640781 434429111 /nfs/dbraw/zinc/42/91/11/434429111.db2.gz JSSBHIXSLUEMCI-NUJGCVRESA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000348640781 434429116 /nfs/dbraw/zinc/42/91/16/434429116.db2.gz JSSBHIXSLUEMCI-NUJGCVRESA-N 2 2 302.462 3.197 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494508 434432687 /nfs/dbraw/zinc/43/26/87/434432687.db2.gz CXWZJNXVBFHYSF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494508 434432700 /nfs/dbraw/zinc/43/27/00/434432700.db2.gz CXWZJNXVBFHYSF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494508 434432710 /nfs/dbraw/zinc/43/27/10/434432710.db2.gz CXWZJNXVBFHYSF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)C1 ZINC000366494508 434432723 /nfs/dbraw/zinc/43/27/23/434432723.db2.gz CXWZJNXVBFHYSF-SFHVURJKSA-N 2 2 315.848 3.416 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423455857 434433734 /nfs/dbraw/zinc/43/37/34/434433734.db2.gz DBUSVCNQGBWATC-BDAKNGLRSA-N 2 2 324.318 3.277 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000397325174 434436438 /nfs/dbraw/zinc/43/64/38/434436438.db2.gz UVVXBOYZBYGMRF-GMTAPVOTSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000397325174 434436444 /nfs/dbraw/zinc/43/64/44/434436444.db2.gz UVVXBOYZBYGMRF-GMTAPVOTSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423463510 434438057 /nfs/dbraw/zinc/43/80/57/434438057.db2.gz LGKSTQKMEBTINM-PRHYDEJPSA-N 3 2 315.505 3.003 20 0 DGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423463510 434438065 /nfs/dbraw/zinc/43/80/65/434438065.db2.gz LGKSTQKMEBTINM-PRHYDEJPSA-N 3 2 315.505 3.003 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000423485552 434448830 /nfs/dbraw/zinc/44/88/30/434448830.db2.gz AWBLVONPBVTCMK-JQWIXIFHSA-N 2 2 303.233 3.023 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423497849 434459225 /nfs/dbraw/zinc/45/92/25/434459225.db2.gz HMOLXIQODCAYOY-MSOLQXFVSA-N 2 2 302.462 3.188 20 0 DGADLP Cc1[nH+]cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1-c1ccccc1 ZINC000295975856 434461965 /nfs/dbraw/zinc/46/19/65/434461965.db2.gz JAJGDOOZYNPRFR-INIZCTEOSA-N 2 2 324.472 3.097 20 0 DGADLP Cc1[nH+]cc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)n1-c1ccccc1 ZINC000295975856 434461972 /nfs/dbraw/zinc/46/19/72/434461972.db2.gz JAJGDOOZYNPRFR-INIZCTEOSA-N 2 2 324.472 3.097 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000423509619 434467003 /nfs/dbraw/zinc/46/70/03/434467003.db2.gz RRTNPRLUDRRJFL-RTBURBONSA-N 2 2 320.440 3.351 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@H](C)C1 ZINC000359996218 434469007 /nfs/dbraw/zinc/46/90/07/434469007.db2.gz VUIZYUVBNMIWQI-TZMCWYRMSA-N 2 2 320.868 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cccc(Cl)c3n2C)[C@H](C)C1 ZINC000359996218 434469013 /nfs/dbraw/zinc/46/90/13/434469013.db2.gz VUIZYUVBNMIWQI-TZMCWYRMSA-N 2 2 320.868 3.047 20 0 DGADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353839192 434471382 /nfs/dbraw/zinc/47/13/82/434471382.db2.gz FMUVKTABUASETR-SFHVURJKSA-N 2 2 323.456 3.008 20 0 DGADLP COc1cc(F)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423517436 434471420 /nfs/dbraw/zinc/47/14/20/434471420.db2.gz YTKCCNBSQJEVLR-IAQYHMDHSA-N 2 2 310.413 3.011 20 0 DGADLP Cc1cccn2c(CNc3ccccc3CC[NH+](C)C)c[nH+]c12 ZINC000438373979 434471639 /nfs/dbraw/zinc/47/16/39/434471639.db2.gz KLKZROMHIIJKHK-UHFFFAOYSA-N 2 2 308.429 3.359 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000399804154 434483250 /nfs/dbraw/zinc/48/32/50/434483250.db2.gz DDQPTDREVNRXNZ-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399804154 434483262 /nfs/dbraw/zinc/48/32/62/434483262.db2.gz DDQPTDREVNRXNZ-FQEVSTJZSA-N 2 2 309.457 3.187 20 0 DGADLP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423552424 434486824 /nfs/dbraw/zinc/48/68/24/434486824.db2.gz GIDNWMKVIWFJPT-WFASDCNBSA-N 2 2 317.260 3.413 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCC[C@H]3CCOC3)C2)cc1 ZINC000400519126 434488367 /nfs/dbraw/zinc/48/83/67/434488367.db2.gz DDTNXWAEVVMKKD-OALUTQOASA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCC[C@H]3CCOC3)C2)cc1 ZINC000400519126 434488376 /nfs/dbraw/zinc/48/83/76/434488376.db2.gz DDTNXWAEVVMKKD-OALUTQOASA-N 2 2 302.462 3.057 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736806 434490235 /nfs/dbraw/zinc/49/02/35/434490235.db2.gz RWIFHQJSPSCLRX-SXLOBPIMSA-N 3 2 315.505 3.019 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736806 434490246 /nfs/dbraw/zinc/49/02/46/434490246.db2.gz RWIFHQJSPSCLRX-SXLOBPIMSA-N 3 2 315.505 3.019 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C(C)C ZINC000360045975 434491980 /nfs/dbraw/zinc/49/19/80/434491980.db2.gz NUVFYTOTHJWGDG-MOPGFXCFSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360045975 434491983 /nfs/dbraw/zinc/49/19/83/434491983.db2.gz NUVFYTOTHJWGDG-MOPGFXCFSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)Cc1ccc([C@@H](C[NH2+]C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000348692127 434449083 /nfs/dbraw/zinc/44/90/83/434449083.db2.gz DJBFZIRBCDYACM-HXUWFJFHSA-N 2 2 317.521 3.172 20 0 DGADLP COc1ccc[nH+]c1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008306 434452311 /nfs/dbraw/zinc/45/23/11/434452311.db2.gz AFTPYGKFMYJBOF-RDJZCZTQSA-N 2 2 311.429 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398008306 434452317 /nfs/dbraw/zinc/45/23/17/434452317.db2.gz AFTPYGKFMYJBOF-RDJZCZTQSA-N 2 2 311.429 3.413 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ccc(Br)s2)[C@@H]1CC[NH3+] ZINC000404313290 434510174 /nfs/dbraw/zinc/51/01/74/434510174.db2.gz XYBIINMQVFPTNL-CMPLNLGQSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)[C@@H]1CC[NH3+] ZINC000404313290 434510182 /nfs/dbraw/zinc/51/01/82/434510182.db2.gz XYBIINMQVFPTNL-CMPLNLGQSA-N 2 2 317.296 3.460 20 0 DGADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCSCC1 ZINC000348836600 434521104 /nfs/dbraw/zinc/52/11/04/434521104.db2.gz DQRWDPRYAOORTO-CYBMUJFWSA-N 2 2 302.447 3.270 20 0 DGADLP Cc1c[nH+]c(CNCC2([NH+]3CCCCC3)CCCCC2)n1C ZINC000341072943 434531780 /nfs/dbraw/zinc/53/17/80/434531780.db2.gz AMAOTHDLQJAJDR-UHFFFAOYSA-N 2 2 304.482 3.007 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)sc2C1 ZINC000348867751 434534226 /nfs/dbraw/zinc/53/42/26/434534226.db2.gz IRFFBMVXENQJJY-RDGKXADDSA-N 2 2 319.518 3.325 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)sc2C1 ZINC000348867751 434534233 /nfs/dbraw/zinc/53/42/33/434534233.db2.gz IRFFBMVXENQJJY-RDGKXADDSA-N 2 2 319.518 3.325 20 0 DGADLP C[C@H]1CCc2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)sc2C1 ZINC000348867751 434534238 /nfs/dbraw/zinc/53/42/38/434534238.db2.gz IRFFBMVXENQJJY-RDGKXADDSA-N 2 2 319.518 3.325 20 0 DGADLP C[C@H]1CCc2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2C1 ZINC000348867751 434534243 /nfs/dbraw/zinc/53/42/43/434534243.db2.gz IRFFBMVXENQJJY-RDGKXADDSA-N 2 2 319.518 3.325 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000353942496 434539340 /nfs/dbraw/zinc/53/93/40/434539340.db2.gz GCVJNIRDDNGAJA-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c[nH+]1 ZINC000353942496 434539346 /nfs/dbraw/zinc/53/93/46/434539346.db2.gz GCVJNIRDDNGAJA-UHFFFAOYSA-N 3 2 320.440 3.357 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(Br)ccc2C)C1 ZINC000438905620 434541005 /nfs/dbraw/zinc/54/10/05/434541005.db2.gz RCLFMGPVEPFZJS-SWLSCSKDSA-N 2 2 311.267 3.187 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(Br)ccc2C)C1 ZINC000438905620 434541013 /nfs/dbraw/zinc/54/10/13/434541013.db2.gz RCLFMGPVEPFZJS-SWLSCSKDSA-N 2 2 311.267 3.187 20 0 DGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000423270396 295008139 /nfs/dbraw/zinc/00/81/39/295008139.db2.gz WNHZSBAZFGAPBO-VXGBXAGGSA-N 2 2 314.857 3.381 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)c3ccc(C[NH+](C)C)cc3)ccc2n1C ZINC000525775101 295032217 /nfs/dbraw/zinc/03/22/17/295032217.db2.gz RMYNCWXTLHIVSZ-UHFFFAOYSA-N 2 2 322.412 3.196 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c[nH+]1 ZINC000527218925 295084368 /nfs/dbraw/zinc/08/43/68/295084368.db2.gz VHFNYPYLQOXJHD-UHFFFAOYSA-N 3 2 303.494 3.375 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c[nH+]1 ZINC000527218925 295084373 /nfs/dbraw/zinc/08/43/73/295084373.db2.gz VHFNYPYLQOXJHD-UHFFFAOYSA-N 3 2 303.494 3.375 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c[nH+]1 ZINC000527219287 295084696 /nfs/dbraw/zinc/08/46/96/295084696.db2.gz BTAQBLICCRBHMA-OAHLLOKOSA-N 2 2 316.367 3.366 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c[nH+]1 ZINC000527219287 295084697 /nfs/dbraw/zinc/08/46/97/295084697.db2.gz BTAQBLICCRBHMA-OAHLLOKOSA-N 2 2 316.367 3.366 20 0 DGADLP CCC(=O)Nc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000527223302 295084940 /nfs/dbraw/zinc/08/49/40/295084940.db2.gz IUOCKVGQYTUTSM-UHFFFAOYSA-N 2 2 311.429 3.461 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000459374089 434573781 /nfs/dbraw/zinc/57/37/81/434573781.db2.gz SWEVPFJBAHJOKQ-UHFFFAOYSA-N 2 2 314.820 3.156 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000459374089 434573785 /nfs/dbraw/zinc/57/37/85/434573785.db2.gz SWEVPFJBAHJOKQ-UHFFFAOYSA-N 2 2 314.820 3.156 20 0 DGADLP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000527860301 295141762 /nfs/dbraw/zinc/14/17/62/295141762.db2.gz JOBULXCHKQIPDC-PMACEKPBSA-N 2 2 317.521 3.172 20 0 DGADLP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527860301 295141763 /nfs/dbraw/zinc/14/17/63/295141763.db2.gz JOBULXCHKQIPDC-PMACEKPBSA-N 2 2 317.521 3.172 20 0 DGADLP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000527860305 295141776 /nfs/dbraw/zinc/14/17/76/295141776.db2.gz JOBULXCHKQIPDC-WOJBJXKFSA-N 2 2 317.521 3.172 20 0 DGADLP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000527860305 295141777 /nfs/dbraw/zinc/14/17/77/295141777.db2.gz JOBULXCHKQIPDC-WOJBJXKFSA-N 2 2 317.521 3.172 20 0 DGADLP COc1ccc[nH+]c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000527863256 295142139 /nfs/dbraw/zinc/14/21/39/295142139.db2.gz HVKJBWBKXIPBSF-AWEZNQCLSA-N 2 2 317.458 3.476 20 0 DGADLP COc1ccc[nH+]c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000527863256 295142141 /nfs/dbraw/zinc/14/21/41/295142141.db2.gz HVKJBWBKXIPBSF-AWEZNQCLSA-N 2 2 317.458 3.476 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C(C)C)c1 ZINC000527905809 295148405 /nfs/dbraw/zinc/14/84/05/295148405.db2.gz VWMRCQUFGNKACY-MOPGFXCFSA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C(C)C)c1 ZINC000527905809 295148407 /nfs/dbraw/zinc/14/84/07/295148407.db2.gz VWMRCQUFGNKACY-MOPGFXCFSA-N 2 2 304.478 3.129 20 0 DGADLP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)OCC ZINC000527928755 295152106 /nfs/dbraw/zinc/15/21/06/295152106.db2.gz GQBAKARKRUNCGU-QRQLOZEOSA-N 2 2 319.493 3.087 20 0 DGADLP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)OCC ZINC000527928755 295152108 /nfs/dbraw/zinc/15/21/08/295152108.db2.gz GQBAKARKRUNCGU-QRQLOZEOSA-N 2 2 319.493 3.087 20 0 DGADLP Cc1cc(NC(=O)C[C@H]2CC[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000423913912 434575895 /nfs/dbraw/zinc/57/58/95/434575895.db2.gz VIFZADRGSUFIJK-CQSZACIVSA-N 2 2 311.385 3.120 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000528008403 295165972 /nfs/dbraw/zinc/16/59/72/295165972.db2.gz DKKNRALHBCGCBG-HUUCEWRRSA-N 2 2 305.491 3.435 20 0 DGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000528008403 295165974 /nfs/dbraw/zinc/16/59/74/295165974.db2.gz DKKNRALHBCGCBG-HUUCEWRRSA-N 2 2 305.491 3.435 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393123 295207366 /nfs/dbraw/zinc/20/73/66/295207366.db2.gz DZLAKJQNAZMQBV-TZMCWYRMSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393123 295207367 /nfs/dbraw/zinc/20/73/67/295207367.db2.gz DZLAKJQNAZMQBV-TZMCWYRMSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393123 295207369 /nfs/dbraw/zinc/20/73/69/295207369.db2.gz DZLAKJQNAZMQBV-TZMCWYRMSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccnc2C(F)(F)F)C[C@H]1C ZINC000528393123 295207372 /nfs/dbraw/zinc/20/73/72/295207372.db2.gz DZLAKJQNAZMQBV-TZMCWYRMSA-N 2 2 315.383 3.405 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccnc1C(F)(F)F)CC2 ZINC000528428973 295213218 /nfs/dbraw/zinc/21/32/18/295213218.db2.gz DMJLXFTVZFNCMW-UHFFFAOYSA-N 2 2 313.367 3.161 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1cccnc1C(F)(F)F)CC2 ZINC000528428973 295213221 /nfs/dbraw/zinc/21/32/21/295213221.db2.gz DMJLXFTVZFNCMW-UHFFFAOYSA-N 2 2 313.367 3.161 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccnc1C(F)(F)F ZINC000528499206 295219426 /nfs/dbraw/zinc/21/94/26/295219426.db2.gz ZGHBTSLEWPHOED-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccnc1C(F)(F)F ZINC000528499206 295219427 /nfs/dbraw/zinc/21/94/27/295219427.db2.gz ZGHBTSLEWPHOED-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000423322277 295225159 /nfs/dbraw/zinc/22/51/59/295225159.db2.gz GKCQPHYBCKVBKN-BZSNNMDCSA-N 2 2 300.446 3.063 20 0 DGADLP FC(F)Oc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025695 434584509 /nfs/dbraw/zinc/58/45/09/434584509.db2.gz IBEOJGCOGIONMQ-INIZCTEOSA-N 2 2 320.339 3.336 20 0 DGADLP FC(F)Oc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025695 434584514 /nfs/dbraw/zinc/58/45/14/434584514.db2.gz IBEOJGCOGIONMQ-INIZCTEOSA-N 2 2 320.339 3.336 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354109408 434624232 /nfs/dbraw/zinc/62/42/32/434624232.db2.gz KNMUJVCHSIZWFJ-GJZGRUSLSA-N 2 2 321.534 3.432 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000354109408 434624238 /nfs/dbraw/zinc/62/42/38/434624238.db2.gz KNMUJVCHSIZWFJ-GJZGRUSLSA-N 2 2 321.534 3.432 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000354126301 434631825 /nfs/dbraw/zinc/63/18/25/434631825.db2.gz JDMJUBMYHPMBGO-CYBMUJFWSA-N 2 2 319.449 3.333 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000354126301 434631832 /nfs/dbraw/zinc/63/18/32/434631832.db2.gz JDMJUBMYHPMBGO-CYBMUJFWSA-N 2 2 319.449 3.333 20 0 DGADLP CCN(CC)C(=O)C1([NH2+]Cc2c[nH+]cn2C(C)C)CCCCC1 ZINC000424157016 434639593 /nfs/dbraw/zinc/63/95/93/434639593.db2.gz OWHAFIMGHMNADY-UHFFFAOYSA-N 2 2 320.481 3.125 20 0 DGADLP CC(C)n1c[nH+]cc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000424162411 434642059 /nfs/dbraw/zinc/64/20/59/434642059.db2.gz ZOMIRHPDJYCTML-UHFFFAOYSA-N 2 2 320.481 3.029 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(F)cc2s1 ZINC000349368253 434694252 /nfs/dbraw/zinc/69/42/52/434694252.db2.gz NTRUVULBGNGGCV-UHFFFAOYSA-N 2 2 304.394 3.154 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(F)cc2s1 ZINC000349368253 434694258 /nfs/dbraw/zinc/69/42/58/434694258.db2.gz NTRUVULBGNGGCV-UHFFFAOYSA-N 2 2 304.394 3.154 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168566 434652481 /nfs/dbraw/zinc/65/24/81/434652481.db2.gz YWLOMDSFWGGCIE-KRWDZBQOSA-N 2 2 319.449 3.353 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168566 434652488 /nfs/dbraw/zinc/65/24/88/434652488.db2.gz YWLOMDSFWGGCIE-KRWDZBQOSA-N 2 2 319.449 3.353 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168566 434652492 /nfs/dbraw/zinc/65/24/92/434652492.db2.gz YWLOMDSFWGGCIE-KRWDZBQOSA-N 2 2 319.449 3.353 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nc4ccc(F)cc4s3)C2)C1 ZINC000354168566 434652500 /nfs/dbraw/zinc/65/25/00/434652500.db2.gz YWLOMDSFWGGCIE-KRWDZBQOSA-N 2 2 319.449 3.353 20 0 DGADLP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1cccnc1 ZINC000349287283 434659343 /nfs/dbraw/zinc/65/93/43/434659343.db2.gz UWGPUMYZRAVPPM-UHFFFAOYSA-N 2 2 304.463 3.010 20 0 DGADLP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1cccnc1 ZINC000349287283 434659353 /nfs/dbraw/zinc/65/93/53/434659353.db2.gz UWGPUMYZRAVPPM-UHFFFAOYSA-N 2 2 304.463 3.010 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2ccn(-c3ccccc3)n2)c[nH+]1 ZINC000354193589 434662345 /nfs/dbraw/zinc/66/23/45/434662345.db2.gz VPCLJRHWBREVHM-UHFFFAOYSA-N 2 2 306.413 3.298 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000424275830 434672024 /nfs/dbraw/zinc/67/20/24/434672024.db2.gz COJYSMDITPHFNF-RYUDHWBXSA-N 2 2 305.809 3.211 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371340355 434672187 /nfs/dbraw/zinc/67/21/87/434672187.db2.gz DKGQRQDTKXEUES-WCIQWLHISA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000371340355 434672193 /nfs/dbraw/zinc/67/21/93/434672193.db2.gz DKGQRQDTKXEUES-WCIQWLHISA-N 2 2 321.553 3.161 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223932 434677349 /nfs/dbraw/zinc/67/73/49/434677349.db2.gz MAUWRAICXQVXMB-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223932 434677360 /nfs/dbraw/zinc/67/73/60/434677360.db2.gz MAUWRAICXQVXMB-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223932 434677365 /nfs/dbraw/zinc/67/73/65/434677365.db2.gz MAUWRAICXQVXMB-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(C)c2)C[C@H]1C ZINC000354223932 434677376 /nfs/dbraw/zinc/67/73/76/434677376.db2.gz MAUWRAICXQVXMB-AEFFLSMTSA-N 2 2 317.477 3.047 20 0 DGADLP COC(=O)CC1CC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000424310062 434687537 /nfs/dbraw/zinc/68/75/37/434687537.db2.gz JDWUJTLYSMAPTO-HPUBIQBYSA-N 2 2 318.461 3.047 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C1CCCCC1 ZINC000440810286 434746859 /nfs/dbraw/zinc/74/68/59/434746859.db2.gz VKDCYAWAXGFXKU-UHFFFAOYSA-N 2 2 318.387 3.173 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C1CCCCC1 ZINC000440810286 434746864 /nfs/dbraw/zinc/74/68/64/434746864.db2.gz VKDCYAWAXGFXKU-UHFFFAOYSA-N 2 2 318.387 3.173 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2ccc(Cl)cn12 ZINC000349387095 434701821 /nfs/dbraw/zinc/70/18/21/434701821.db2.gz USYWTRHHTPQCEZ-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2ccc(Cl)cn12 ZINC000349387095 434701827 /nfs/dbraw/zinc/70/18/27/434701827.db2.gz USYWTRHHTPQCEZ-UHFFFAOYSA-N 2 2 308.857 3.151 20 0 DGADLP Fc1cccc(C[NH+]2CCC([NH2+]C3CCSCC3)CC2)c1 ZINC000371442895 434704049 /nfs/dbraw/zinc/70/40/49/434704049.db2.gz MCBBJRCTVRJNCQ-UHFFFAOYSA-N 2 2 308.466 3.275 20 0 DGADLP Fc1ccc2c(CC[NH2+]Cc3cccc4[nH+]ccn43)c[nH]c2c1 ZINC000354287982 434708371 /nfs/dbraw/zinc/70/83/71/434708371.db2.gz ARXZWJCNRKEBDR-UHFFFAOYSA-N 2 2 308.360 3.287 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccccc1 ZINC000349414589 434708813 /nfs/dbraw/zinc/70/88/13/434708813.db2.gz HSAHEXMUILZPHA-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccccc1 ZINC000349414589 434708817 /nfs/dbraw/zinc/70/88/17/434708817.db2.gz HSAHEXMUILZPHA-UHFFFAOYSA-N 2 2 300.450 3.036 20 0 DGADLP CC[N@H+](C)[C@H](c1nc(C2([NH3+])CCCCC2)no1)c1ccccc1 ZINC000424351178 434708957 /nfs/dbraw/zinc/70/89/57/434708957.db2.gz YHPHWOMBOPXBAI-HNNXBMFYSA-N 2 2 314.433 3.229 20 0 DGADLP CC[N@@H+](C)[C@H](c1nc(C2([NH3+])CCCCC2)no1)c1ccccc1 ZINC000424351178 434708959 /nfs/dbraw/zinc/70/89/59/434708959.db2.gz YHPHWOMBOPXBAI-HNNXBMFYSA-N 2 2 314.433 3.229 20 0 DGADLP Cc1nc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000360954378 434742119 /nfs/dbraw/zinc/74/21/19/434742119.db2.gz MKUWAQPSEMHHPW-HZPDHXFCSA-N 2 2 324.472 3.297 20 0 DGADLP Cc1nc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000354384979 434744623 /nfs/dbraw/zinc/74/46/23/434744623.db2.gz HRUGUTPIGMEJSB-IIYDPXPESA-N 2 2 302.466 3.243 20 0 DGADLP Cc1nc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC000354384979 434744628 /nfs/dbraw/zinc/74/46/28/434744628.db2.gz HRUGUTPIGMEJSB-IIYDPXPESA-N 2 2 302.466 3.243 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000443414941 434777771 /nfs/dbraw/zinc/77/77/71/434777771.db2.gz GXHIJSHXTHDZQT-FHWLQOOXSA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000443414941 434777776 /nfs/dbraw/zinc/77/77/76/434777776.db2.gz GXHIJSHXTHDZQT-FHWLQOOXSA-N 2 2 306.494 3.023 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)Cc1cnccn1)c1ccccc1 ZINC000453058169 434786171 /nfs/dbraw/zinc/78/61/71/434786171.db2.gz NXPRLPBIOAYRRH-VQIMIIECSA-N 2 2 312.461 3.080 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000453058147 434786992 /nfs/dbraw/zinc/78/69/92/434786992.db2.gz KBEQKKOPJOIMEY-QGZVFWFLSA-N 2 2 324.472 3.446 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000453060728 434788371 /nfs/dbraw/zinc/78/83/71/434788371.db2.gz ATQOKRCYYYXOQA-IAGOWNOFSA-N 2 2 315.392 3.059 20 0 DGADLP C[N@H+](CC[NH2+][C@H]1CCCc2c(O)cccc21)Cc1ccccc1 ZINC000361105475 434797452 /nfs/dbraw/zinc/79/74/52/434797452.db2.gz GQXHJFVUFICNJA-IBGZPJMESA-N 2 2 310.441 3.491 20 0 DGADLP C[N@@H+](CC[NH2+][C@H]1CCCc2c(O)cccc21)Cc1ccccc1 ZINC000361105475 434797458 /nfs/dbraw/zinc/79/74/58/434797458.db2.gz GQXHJFVUFICNJA-IBGZPJMESA-N 2 2 310.441 3.491 20 0 DGADLP CS[C@H]1CN(c2cc[nH+]c3ccsc32)C[C@H]1[NH+]1CCCC1 ZINC000445606507 434814598 /nfs/dbraw/zinc/81/45/98/434814598.db2.gz CACAIKMLPZDNME-CABCVRRESA-N 2 2 319.499 3.312 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000453143034 434815152 /nfs/dbraw/zinc/81/51/52/434815152.db2.gz UTZGMFSUVQRJTL-IAGOWNOFSA-N 2 2 314.477 3.464 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453143034 434815155 /nfs/dbraw/zinc/81/51/55/434815155.db2.gz UTZGMFSUVQRJTL-IAGOWNOFSA-N 2 2 314.477 3.464 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000361190796 434826868 /nfs/dbraw/zinc/82/68/68/434826868.db2.gz QBKYXPIFAKCPEH-UGFHNGPFSA-N 2 2 310.388 3.108 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)ccc(F)c32)[C@H](C)C1 ZINC000361190796 434826870 /nfs/dbraw/zinc/82/68/70/434826870.db2.gz QBKYXPIFAKCPEH-UGFHNGPFSA-N 2 2 310.388 3.108 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000361190793 434827580 /nfs/dbraw/zinc/82/75/80/434827580.db2.gz QBKYXPIFAKCPEH-TUKIKUTGSA-N 2 2 310.388 3.108 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)[C@@H](C)C1 ZINC000361190793 434827583 /nfs/dbraw/zinc/82/75/83/434827583.db2.gz QBKYXPIFAKCPEH-TUKIKUTGSA-N 2 2 310.388 3.108 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201258 434828234 /nfs/dbraw/zinc/82/82/34/434828234.db2.gz WOTVZZFNQMEOOH-PMPSAXMXSA-N 2 2 304.482 3.207 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201258 434828237 /nfs/dbraw/zinc/82/82/37/434828237.db2.gz WOTVZZFNQMEOOH-PMPSAXMXSA-N 2 2 304.482 3.207 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453224120 434832570 /nfs/dbraw/zinc/83/25/70/434832570.db2.gz RTCGMGQOEMHJNQ-AEFFLSMTSA-N 2 2 312.461 3.076 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453224120 434832574 /nfs/dbraw/zinc/83/25/74/434832574.db2.gz RTCGMGQOEMHJNQ-AEFFLSMTSA-N 2 2 312.461 3.076 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000361221590 434833564 /nfs/dbraw/zinc/83/35/64/434833564.db2.gz UPIBLHJDCJJUJI-IBGZPJMESA-N 2 2 316.489 3.461 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(F)F ZINC000453251394 434839877 /nfs/dbraw/zinc/83/98/77/434839877.db2.gz TVEFUFCGTSAACH-IUODEOHRSA-N 2 2 300.393 3.321 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000453265787 434844591 /nfs/dbraw/zinc/84/45/91/434844591.db2.gz NXQDQBDGGUIXOS-LSTHTHJFSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000453265787 434844593 /nfs/dbraw/zinc/84/45/93/434844593.db2.gz NXQDQBDGGUIXOS-LSTHTHJFSA-N 2 2 316.489 3.307 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000453265326 434844783 /nfs/dbraw/zinc/84/47/83/434844783.db2.gz NLUJKAVCQVBQJG-RTBURBONSA-N 2 2 304.478 3.210 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000453265326 434844784 /nfs/dbraw/zinc/84/47/84/434844784.db2.gz NLUJKAVCQVBQJG-RTBURBONSA-N 2 2 304.478 3.210 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000453263666 434844844 /nfs/dbraw/zinc/84/48/44/434844844.db2.gz LVAOTLLXFHDZHH-PMACEKPBSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000453263666 434844848 /nfs/dbraw/zinc/84/48/48/434844848.db2.gz LVAOTLLXFHDZHH-PMACEKPBSA-N 2 2 316.489 3.354 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453264141 434845060 /nfs/dbraw/zinc/84/50/60/434845060.db2.gz UXAYLOCYFLCJIA-QFBILLFUSA-N 2 2 304.478 3.137 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453264141 434845062 /nfs/dbraw/zinc/84/50/62/434845062.db2.gz UXAYLOCYFLCJIA-QFBILLFUSA-N 2 2 304.478 3.137 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266867 434845552 /nfs/dbraw/zinc/84/55/52/434845552.db2.gz OQGUTEANUWQLPD-GOEBONIOSA-N 2 2 318.486 3.399 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cc2ccccc2s1 ZINC000453266867 434845554 /nfs/dbraw/zinc/84/55/54/434845554.db2.gz OQGUTEANUWQLPD-GOEBONIOSA-N 2 2 318.486 3.399 20 0 DGADLP O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944456 434846350 /nfs/dbraw/zinc/84/63/50/434846350.db2.gz NLZAGDDYQHENHV-UXHICEINSA-N 2 2 319.408 3.180 20 0 DGADLP O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000411944456 434846353 /nfs/dbraw/zinc/84/63/53/434846353.db2.gz NLZAGDDYQHENHV-UXHICEINSA-N 2 2 319.408 3.180 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278625 434847335 /nfs/dbraw/zinc/84/73/35/434847335.db2.gz YZTNYPGIZXNFLY-BEFAXECRSA-N 2 2 302.462 3.061 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(C2CC2)c1 ZINC000453278625 434847338 /nfs/dbraw/zinc/84/73/38/434847338.db2.gz YZTNYPGIZXNFLY-BEFAXECRSA-N 2 2 302.462 3.061 20 0 DGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000372811734 434856244 /nfs/dbraw/zinc/85/62/44/434856244.db2.gz JMNNUVJIOPRVJE-MRXNPFEDSA-N 2 2 313.449 3.029 20 0 DGADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000372811734 434856247 /nfs/dbraw/zinc/85/62/47/434856247.db2.gz JMNNUVJIOPRVJE-MRXNPFEDSA-N 2 2 313.449 3.029 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1csnn1 ZINC000412034078 434858225 /nfs/dbraw/zinc/85/82/25/434858225.db2.gz FOWMESWDNYVBIH-CQSZACIVSA-N 2 2 316.474 3.375 20 0 DGADLP c1cnc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc2n1 ZINC000637890577 434902141 /nfs/dbraw/zinc/90/21/41/434902141.db2.gz UXJCJPDPRNNLAG-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000522011562 434906469 /nfs/dbraw/zinc/90/64/69/434906469.db2.gz PFEZZZYTUHLKKU-UHFFFAOYSA-N 2 2 312.457 3.165 20 0 DGADLP Nc1c(F)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638024637 434936059 /nfs/dbraw/zinc/93/60/59/434936059.db2.gz VECQNJPORGRJEZ-MRXNPFEDSA-N 2 2 319.468 3.496 20 0 DGADLP Nc1c(F)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638024637 434936063 /nfs/dbraw/zinc/93/60/63/434936063.db2.gz VECQNJPORGRJEZ-MRXNPFEDSA-N 2 2 319.468 3.496 20 0 DGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000573931043 434936971 /nfs/dbraw/zinc/93/69/71/434936971.db2.gz JEYAZFOJDAELPF-LBPRGKRZSA-N 2 2 305.372 3.250 20 0 DGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000573931043 434936976 /nfs/dbraw/zinc/93/69/76/434936976.db2.gz JEYAZFOJDAELPF-LBPRGKRZSA-N 2 2 305.372 3.250 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462948810 434939462 /nfs/dbraw/zinc/93/94/62/434939462.db2.gz UMYQBJXCEUHABT-BVIHXZOGSA-N 2 2 310.388 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462948810 434939467 /nfs/dbraw/zinc/93/94/67/434939467.db2.gz UMYQBJXCEUHABT-BVIHXZOGSA-N 2 2 310.388 3.107 20 0 DGADLP C[N@@H+](Cc1ccns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638068299 434945304 /nfs/dbraw/zinc/94/53/04/434945304.db2.gz WNVREVANVUCLKI-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP C[N@H+](Cc1ccns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638068299 434945307 /nfs/dbraw/zinc/94/53/07/434945307.db2.gz WNVREVANVUCLKI-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1ccns1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638068299 434945311 /nfs/dbraw/zinc/94/53/11/434945311.db2.gz WNVREVANVUCLKI-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP C[NH+](Cc1ccns1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638068299 434945314 /nfs/dbraw/zinc/94/53/14/434945314.db2.gz WNVREVANVUCLKI-MRXNPFEDSA-N 2 2 301.459 3.097 20 0 DGADLP [NH3+]C[C@@H](C[N@@H+]1CCc2ccc(F)c(F)c2C1)c1ccc(F)cc1 ZINC000574047033 434945939 /nfs/dbraw/zinc/94/59/39/434945939.db2.gz TYUOBWCRSAYJJS-AWEZNQCLSA-N 2 2 320.358 3.205 20 0 DGADLP [NH3+]C[C@@H](C[N@H+]1CCc2ccc(F)c(F)c2C1)c1ccc(F)cc1 ZINC000574047033 434945943 /nfs/dbraw/zinc/94/59/43/434945943.db2.gz TYUOBWCRSAYJJS-AWEZNQCLSA-N 2 2 320.358 3.205 20 0 DGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000555523919 434976133 /nfs/dbraw/zinc/97/61/33/434976133.db2.gz KCMKYGOFBJHUHB-MSOLQXFVSA-N 2 2 324.509 3.210 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081114 434949600 /nfs/dbraw/zinc/94/96/00/434949600.db2.gz HLHVHXLQVWEABH-BXUZGUMPSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081114 434949603 /nfs/dbraw/zinc/94/96/03/434949603.db2.gz HLHVHXLQVWEABH-BXUZGUMPSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081114 434949606 /nfs/dbraw/zinc/94/96/06/434949606.db2.gz HLHVHXLQVWEABH-BXUZGUMPSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081114 434949609 /nfs/dbraw/zinc/94/96/09/434949609.db2.gz HLHVHXLQVWEABH-BXUZGUMPSA-N 2 2 307.438 3.207 20 0 DGADLP Cc1cccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000554862844 434951395 /nfs/dbraw/zinc/95/13/95/434951395.db2.gz LLKPNKSGKWTMBT-GOSISDBHSA-N 2 2 323.440 3.112 20 0 DGADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000574120183 434951504 /nfs/dbraw/zinc/95/15/04/434951504.db2.gz KGHKGXKGKOGXCS-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000574120183 434951506 /nfs/dbraw/zinc/95/15/06/434951506.db2.gz KGHKGXKGKOGXCS-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)on1 ZINC000574120183 434951509 /nfs/dbraw/zinc/95/15/09/434951509.db2.gz KGHKGXKGKOGXCS-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)on1 ZINC000574120183 434951511 /nfs/dbraw/zinc/95/15/11/434951511.db2.gz KGHKGXKGKOGXCS-HNNXBMFYSA-N 2 2 319.474 3.307 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCN(c2ccccc2)C1 ZINC000638166853 434969238 /nfs/dbraw/zinc/96/92/38/434969238.db2.gz IEYKGNXBJGBTPB-SXLOBPIMSA-N 2 2 313.489 3.072 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCN(c2ccccc2)C1 ZINC000638166853 434969243 /nfs/dbraw/zinc/96/92/43/434969243.db2.gz IEYKGNXBJGBTPB-SXLOBPIMSA-N 2 2 313.489 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCN(c2ccccc2)C1 ZINC000638166853 434969246 /nfs/dbraw/zinc/96/92/46/434969246.db2.gz IEYKGNXBJGBTPB-SXLOBPIMSA-N 2 2 313.489 3.072 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCN(c2ccccc2)C1 ZINC000638166853 434969251 /nfs/dbraw/zinc/96/92/51/434969251.db2.gz IEYKGNXBJGBTPB-SXLOBPIMSA-N 2 2 313.489 3.072 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nccn1-c1ccccc1 ZINC000554374374 434925718 /nfs/dbraw/zinc/92/57/18/434925718.db2.gz RIDDXCRIVCFIKM-INIZCTEOSA-N 2 2 324.472 3.397 20 0 DGADLP COCC1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000638386968 435019242 /nfs/dbraw/zinc/01/92/42/435019242.db2.gz WBJNIBAUKATOKF-UHFFFAOYSA-N 2 2 320.452 3.196 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC1(F)F ZINC000638384253 435019858 /nfs/dbraw/zinc/01/98/58/435019858.db2.gz BWEOKIZIJVDOJU-LRDDRELGSA-N 2 2 312.379 3.423 20 0 DGADLP CC[C@](C)(C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)OC ZINC000638387293 435020681 /nfs/dbraw/zinc/02/06/81/435020681.db2.gz ZBTFRYXLUUNMOQ-GOSISDBHSA-N 2 2 308.441 3.195 20 0 DGADLP c1nnc([C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C2CCCCC2)[nH]1 ZINC000638426469 435028604 /nfs/dbraw/zinc/02/86/04/435028604.db2.gz RIODSDQPPOJFAB-QGZVFWFLSA-N 2 2 317.481 3.033 20 0 DGADLP COc1cc(C[C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccn1 ZINC000638442032 435031283 /nfs/dbraw/zinc/03/12/83/435031283.db2.gz NDWMJRWVGROWQH-CQSZACIVSA-N 2 2 324.428 3.120 20 0 DGADLP Cc1ccc([C@H](C[NH2+]Cc2cccc(F)c2N)[NH+](C)C)cc1 ZINC000638447046 435031869 /nfs/dbraw/zinc/03/18/69/435031869.db2.gz ASIRRBYBSUDBDN-KRWDZBQOSA-N 2 2 301.409 3.109 20 0 DGADLP c1cn(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000638284639 434995935 /nfs/dbraw/zinc/99/59/35/434995935.db2.gz BTWCIFUGMVZVKT-UYAOXDASSA-N 3 2 324.472 3.231 20 0 DGADLP c1cn(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000638284639 434995940 /nfs/dbraw/zinc/99/59/40/434995940.db2.gz BTWCIFUGMVZVKT-UYAOXDASSA-N 3 2 324.472 3.231 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]C2CC(n3cccn3)C2)[NH+](C)C)cc1 ZINC000638288443 434997686 /nfs/dbraw/zinc/99/76/86/434997686.db2.gz QLJTZIKJVUQTMX-CTWPCTMYSA-N 2 2 312.461 3.042 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)[NH+]2CCCC2)c1 ZINC000638317688 435003285 /nfs/dbraw/zinc/00/32/85/435003285.db2.gz QKNISSGYOUHGAU-XYPHTWIQSA-N 2 2 324.415 3.465 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000638333052 435006450 /nfs/dbraw/zinc/00/64/50/435006450.db2.gz NNQMXXAGQIVDHM-KBRIMQKVSA-N 2 2 308.416 3.457 20 0 DGADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000638333052 435006454 /nfs/dbraw/zinc/00/64/54/435006454.db2.gz NNQMXXAGQIVDHM-KBRIMQKVSA-N 2 2 308.416 3.457 20 0 DGADLP c1ccc(NC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)[nH+]c1 ZINC000556382214 435007575 /nfs/dbraw/zinc/00/75/75/435007575.db2.gz XTPQCVDSMPTQPB-UHFFFAOYSA-N 2 2 323.440 3.136 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccns2)CC1 ZINC000638612274 435058403 /nfs/dbraw/zinc/05/84/03/435058403.db2.gz OEZNTSHEUHDWAU-CQSZACIVSA-N 2 2 301.459 3.458 20 0 DGADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cc(C3CC3)no2)ccc1F ZINC000638635358 435061918 /nfs/dbraw/zinc/06/19/18/435061918.db2.gz UMNQEVFMVKCRMR-UHFFFAOYSA-N 2 2 303.381 3.043 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638636556 435063249 /nfs/dbraw/zinc/06/32/49/435063249.db2.gz CZGLTFLBCNKRCR-XBMUEBEBSA-N 2 2 302.462 3.056 20 0 DGADLP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000638636556 435063252 /nfs/dbraw/zinc/06/32/52/435063252.db2.gz CZGLTFLBCNKRCR-XBMUEBEBSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1cccc2c(NCc3c[nH+]c4n3CCCC4)c(C)c[nH+]c12 ZINC000557685979 435063397 /nfs/dbraw/zinc/06/33/97/435063397.db2.gz AHJCSJJHUYSDQU-UHFFFAOYSA-N 2 2 306.413 3.418 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000638669779 435066879 /nfs/dbraw/zinc/06/68/79/435066879.db2.gz BOMVJEPGHMKAQP-DOMZBBRYSA-N 2 2 322.503 3.081 20 0 DGADLP Cc1nnsc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000638669779 435066883 /nfs/dbraw/zinc/06/68/83/435066883.db2.gz BOMVJEPGHMKAQP-DOMZBBRYSA-N 2 2 322.503 3.081 20 0 DGADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)sn1 ZINC000638697800 435072024 /nfs/dbraw/zinc/07/20/24/435072024.db2.gz GIHMOPLMXXSYOJ-INIZCTEOSA-N 2 2 312.442 3.259 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000578334440 435077435 /nfs/dbraw/zinc/07/74/35/435077435.db2.gz OGIJFVOVSPYMJE-QAPCUYQASA-N 2 2 318.461 3.341 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1oc2ccccc2c1C)C(C)C ZINC000578334440 435077437 /nfs/dbraw/zinc/07/74/37/435077437.db2.gz OGIJFVOVSPYMJE-QAPCUYQASA-N 2 2 318.461 3.341 20 0 DGADLP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)OC ZINC000638788206 435089356 /nfs/dbraw/zinc/08/93/56/435089356.db2.gz DROPTPZCXZWHJJ-FCEWJHQRSA-N 2 2 319.493 3.258 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCCCCC1 ZINC000530813861 435052495 /nfs/dbraw/zinc/05/24/95/435052495.db2.gz VNBSWAKYOGXAIO-CQSZACIVSA-N 2 2 312.417 3.280 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811454 435093310 /nfs/dbraw/zinc/09/33/10/435093310.db2.gz AKATZBOVVMHRPM-YLJYHZDGSA-N 2 2 322.456 3.243 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000638811454 435093313 /nfs/dbraw/zinc/09/33/13/435093313.db2.gz AKATZBOVVMHRPM-YLJYHZDGSA-N 2 2 322.456 3.243 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000558471941 435093270 /nfs/dbraw/zinc/09/32/70/435093270.db2.gz AMTYLDADLQQTHP-LSTHTHJFSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CCOCC1 ZINC000558471941 435093273 /nfs/dbraw/zinc/09/32/73/435093273.db2.gz AMTYLDADLQQTHP-LSTHTHJFSA-N 2 2 316.489 3.444 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[C@H]4C[C@H]43)[nH+]c2)CC1 ZINC000558699653 435106052 /nfs/dbraw/zinc/10/60/52/435106052.db2.gz BCXHOJWMSBWENM-QGTPRVQTSA-N 2 2 314.477 3.213 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000638865978 435107925 /nfs/dbraw/zinc/10/79/25/435107925.db2.gz NGIMNRTYWPMVAA-VQIMIIECSA-N 2 2 311.429 3.441 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000638865978 435107929 /nfs/dbraw/zinc/10/79/29/435107929.db2.gz NGIMNRTYWPMVAA-VQIMIIECSA-N 2 2 311.429 3.441 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000531676707 435109049 /nfs/dbraw/zinc/10/90/49/435109049.db2.gz QECWCDYHUIBFRR-SJORKVTESA-N 2 2 320.477 3.011 20 0 DGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531676707 435109051 /nfs/dbraw/zinc/10/90/51/435109051.db2.gz QECWCDYHUIBFRR-SJORKVTESA-N 2 2 320.477 3.011 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683408 435109228 /nfs/dbraw/zinc/10/92/28/435109228.db2.gz KLXLZMQDUHHBPZ-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683408 435109234 /nfs/dbraw/zinc/10/92/34/435109234.db2.gz KLXLZMQDUHHBPZ-PMACEKPBSA-N 2 2 316.489 3.446 20 0 DGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCCO2 ZINC000531728255 435115690 /nfs/dbraw/zinc/11/56/90/435115690.db2.gz MQDCDSBQMJNDMQ-KBXCAEBGSA-N 2 2 302.462 3.449 20 0 DGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCCO2 ZINC000531728255 435115696 /nfs/dbraw/zinc/11/56/96/435115696.db2.gz MQDCDSBQMJNDMQ-KBXCAEBGSA-N 2 2 302.462 3.449 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917140 435117230 /nfs/dbraw/zinc/11/72/30/435117230.db2.gz AOYSYLWAOQPPDC-CZUORRHYSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917140 435117235 /nfs/dbraw/zinc/11/72/35/435117235.db2.gz AOYSYLWAOQPPDC-CZUORRHYSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917140 435117238 /nfs/dbraw/zinc/11/72/38/435117238.db2.gz AOYSYLWAOQPPDC-CZUORRHYSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)[C@@H]2C1 ZINC000638917140 435117243 /nfs/dbraw/zinc/11/72/43/435117243.db2.gz AOYSYLWAOQPPDC-CZUORRHYSA-N 2 2 312.379 3.317 20 0 DGADLP Cn1c[nH+]cc1CCC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000579022193 435127811 /nfs/dbraw/zinc/12/78/11/435127811.db2.gz QBYJCQGSJMWDOR-UHFFFAOYSA-N 2 2 317.383 3.420 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CCOCC1 ZINC000531962592 435130874 /nfs/dbraw/zinc/13/08/74/435130874.db2.gz SBZHYGYOTOCNOU-RTBURBONSA-N 2 2 304.478 3.393 20 0 DGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983749 435131861 /nfs/dbraw/zinc/13/18/61/435131861.db2.gz JYMIOZGCXDBXOP-HOCLYGCPSA-N 2 2 306.450 3.086 20 0 DGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000531983749 435131865 /nfs/dbraw/zinc/13/18/65/435131865.db2.gz JYMIOZGCXDBXOP-HOCLYGCPSA-N 2 2 306.450 3.086 20 0 DGADLP C[C@@H](C[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000470364958 435134359 /nfs/dbraw/zinc/13/43/59/435134359.db2.gz XGOMPCKHJBCWIH-BBRMVZONSA-N 2 2 312.910 3.470 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000559986216 435144389 /nfs/dbraw/zinc/14/43/89/435144389.db2.gz AGERBKRKELLAEE-UHFFFAOYSA-N 2 2 323.375 3.764 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179053 435187159 /nfs/dbraw/zinc/18/71/59/435187159.db2.gz RFHYZFKKNPRNLW-MLGOLLRUSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179053 435187163 /nfs/dbraw/zinc/18/71/63/435187163.db2.gz RFHYZFKKNPRNLW-MLGOLLRUSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179053 435187165 /nfs/dbraw/zinc/18/71/65/435187165.db2.gz RFHYZFKKNPRNLW-MLGOLLRUSA-N 2 2 319.399 3.285 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639179053 435187170 /nfs/dbraw/zinc/18/71/70/435187170.db2.gz RFHYZFKKNPRNLW-MLGOLLRUSA-N 2 2 319.399 3.285 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]CCC[C@@H]2CCO2)c[nH+]1 ZINC000639180530 435187206 /nfs/dbraw/zinc/18/72/06/435187206.db2.gz ZUYTUEOLVGWKEL-NEWSRXKRSA-N 2 2 311.429 3.270 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790632 435191118 /nfs/dbraw/zinc/19/11/18/435191118.db2.gz YTSCDVZRCLPWDW-KDOFPFPSSA-N 2 2 302.437 3.221 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000560790632 435191121 /nfs/dbraw/zinc/19/11/21/435191121.db2.gz YTSCDVZRCLPWDW-KDOFPFPSSA-N 2 2 302.437 3.221 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000532987261 435202446 /nfs/dbraw/zinc/20/24/46/435202446.db2.gz IMCSYVROTDSEGJ-KRWDZBQOSA-N 2 2 324.472 3.307 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000532987261 435202449 /nfs/dbraw/zinc/20/24/49/435202449.db2.gz IMCSYVROTDSEGJ-KRWDZBQOSA-N 2 2 324.472 3.307 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161769 435151334 /nfs/dbraw/zinc/15/13/34/435151334.db2.gz BOLONKSQUWPEPL-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560161769 435151336 /nfs/dbraw/zinc/15/13/36/435151336.db2.gz BOLONKSQUWPEPL-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560161769 435151342 /nfs/dbraw/zinc/15/13/42/435151342.db2.gz BOLONKSQUWPEPL-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560161769 435151346 /nfs/dbraw/zinc/15/13/46/435151346.db2.gz BOLONKSQUWPEPL-YZGWKJHDSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532240216 435151512 /nfs/dbraw/zinc/15/15/12/435151512.db2.gz HVPZXMYZCWLBHH-HOTGVXAUSA-N 2 2 312.461 3.173 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000639119608 435162868 /nfs/dbraw/zinc/16/28/68/435162868.db2.gz XVHBNTKXFFIVCA-QGZVFWFLSA-N 2 2 321.424 3.440 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000639119608 435162872 /nfs/dbraw/zinc/16/28/72/435162872.db2.gz XVHBNTKXFFIVCA-QGZVFWFLSA-N 2 2 321.424 3.440 20 0 DGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1OC ZINC000474866692 435164325 /nfs/dbraw/zinc/16/43/25/435164325.db2.gz DUJDRJOJSVIOMA-HOTGVXAUSA-N 2 2 320.477 3.271 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000532447921 435165052 /nfs/dbraw/zinc/16/50/52/435165052.db2.gz COLJZIQOSOZDTH-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000532447921 435165055 /nfs/dbraw/zinc/16/50/55/435165055.db2.gz COLJZIQOSOZDTH-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP c1cnn(C2CC([NH2+]CC[NH+]3CCC4(CCCCC4)CC3)C2)c1 ZINC000639137431 435169623 /nfs/dbraw/zinc/16/96/23/435169623.db2.gz ZFLRDRDNWCMGFE-UHFFFAOYSA-N 2 2 316.493 3.223 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000475091627 435176494 /nfs/dbraw/zinc/17/64/94/435176494.db2.gz JYRWOCJNLQABJE-DOTOQJQBSA-N 2 2 320.477 3.165 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532588251 435178044 /nfs/dbraw/zinc/17/80/44/435178044.db2.gz NBYUXSZTWQXXRJ-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000532588251 435178049 /nfs/dbraw/zinc/17/80/49/435178049.db2.gz NBYUXSZTWQXXRJ-UHFFFAOYSA-N 2 2 324.472 3.450 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000579791334 435182731 /nfs/dbraw/zinc/18/27/31/435182731.db2.gz HQGGWLMPSJYWBY-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000579791334 435182733 /nfs/dbraw/zinc/18/27/33/435182733.db2.gz HQGGWLMPSJYWBY-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000579791334 435182735 /nfs/dbraw/zinc/18/27/35/435182735.db2.gz HQGGWLMPSJYWBY-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000579791334 435182737 /nfs/dbraw/zinc/18/27/37/435182737.db2.gz HQGGWLMPSJYWBY-ZWKOTPCHSA-N 2 2 302.462 3.241 20 0 DGADLP CO[C@H](CC(C)C)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639177982 435183439 /nfs/dbraw/zinc/18/34/39/435183439.db2.gz DWKUCKKENGAEIT-GOSISDBHSA-N 2 2 308.466 3.237 20 0 DGADLP CO[C@H](CC(C)C)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639177982 435183441 /nfs/dbraw/zinc/18/34/41/435183441.db2.gz DWKUCKKENGAEIT-GOSISDBHSA-N 2 2 308.466 3.237 20 0 DGADLP COC(=O)Nc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000496485283 435214661 /nfs/dbraw/zinc/21/46/61/435214661.db2.gz DVFRNWGANPYOFQ-UHFFFAOYSA-N 2 2 313.401 3.291 20 0 DGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000562057952 435250162 /nfs/dbraw/zinc/25/01/62/435250162.db2.gz KWCCMYLBQZOMCF-GJZGRUSLSA-N 2 2 300.368 3.493 20 0 DGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000562057955 435250190 /nfs/dbraw/zinc/25/01/90/435250190.db2.gz KWCCMYLBQZOMCF-LSDHHAIUSA-N 2 2 300.368 3.493 20 0 DGADLP C1CC(=C2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)C1 ZINC000639328366 435246555 /nfs/dbraw/zinc/24/65/55/435246555.db2.gz PYZROHKYGPVFHI-IBGZPJMESA-N 2 2 304.478 3.252 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1nccn1C ZINC000639327436 435247068 /nfs/dbraw/zinc/24/70/68/435247068.db2.gz OZRSYPWYTBIMBA-WDYCEAGBSA-N 2 2 324.472 3.439 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1nccn1C ZINC000639327436 435247073 /nfs/dbraw/zinc/24/70/73/435247073.db2.gz OZRSYPWYTBIMBA-WDYCEAGBSA-N 2 2 324.472 3.439 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000639351872 435257534 /nfs/dbraw/zinc/25/75/34/435257534.db2.gz LBNCEEWIYGOSCL-XLIONFOSSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC000639351872 435257538 /nfs/dbraw/zinc/25/75/38/435257538.db2.gz LBNCEEWIYGOSCL-XLIONFOSSA-N 2 2 313.489 3.119 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000583945291 435258582 /nfs/dbraw/zinc/25/85/82/435258582.db2.gz PQBUBKOXWKPCTO-LNLFQRSKSA-N 3 2 312.461 3.101 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643061704 435264358 /nfs/dbraw/zinc/26/43/58/435264358.db2.gz JZPCFINCOUBKAV-MSOLQXFVSA-N 2 2 320.502 3.394 20 0 DGADLP CSc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643061704 435264362 /nfs/dbraw/zinc/26/43/62/435264362.db2.gz JZPCFINCOUBKAV-MSOLQXFVSA-N 2 2 320.502 3.394 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000639378130 435274632 /nfs/dbraw/zinc/27/46/32/435274632.db2.gz BMPXLIJIHJRTPM-UHFFFAOYSA-N 2 2 318.490 3.444 20 0 DGADLP CCn1nc(C[NH+]2CCC(CC)([NH+](C)C)CC2)c2ccccc21 ZINC000639380012 435276281 /nfs/dbraw/zinc/27/62/81/435276281.db2.gz VERNCQNXQQYXLT-UHFFFAOYSA-N 2 2 314.477 3.362 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000534275676 435276358 /nfs/dbraw/zinc/27/63/58/435276358.db2.gz PEKTVOSGHBFPFA-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000534275676 435276368 /nfs/dbraw/zinc/27/63/68/435276368.db2.gz PEKTVOSGHBFPFA-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP CC[N@H+](Cc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1)C1CC1 ZINC000534299744 435277977 /nfs/dbraw/zinc/27/79/77/435277977.db2.gz BMXRWFUVQPAETK-UHFFFAOYSA-N 2 2 323.440 3.357 20 0 DGADLP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1)C1CC1 ZINC000534299744 435277982 /nfs/dbraw/zinc/27/79/82/435277982.db2.gz BMXRWFUVQPAETK-UHFFFAOYSA-N 2 2 323.440 3.357 20 0 DGADLP Cc1nc2ccc(C[N@@H+](C)[C@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000639396929 435283871 /nfs/dbraw/zinc/28/38/71/435283871.db2.gz MDFQZVVKVFAUAH-INIZCTEOSA-N 2 2 301.459 3.131 20 0 DGADLP Cc1nc2ccc(C[N@H+](C)[C@H]3C[NH+]4CCC3CC4)cc2s1 ZINC000639396929 435283876 /nfs/dbraw/zinc/28/38/76/435283876.db2.gz MDFQZVVKVFAUAH-INIZCTEOSA-N 2 2 301.459 3.131 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000643252675 435285320 /nfs/dbraw/zinc/28/53/20/435285320.db2.gz HCVWUPPPDGEJMS-UHFFFAOYSA-N 2 2 314.473 3.285 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000648435718 435298943 /nfs/dbraw/zinc/29/89/43/435298943.db2.gz QNBYGAVQTWZUKY-GJZGRUSLSA-N 2 2 303.381 3.059 20 0 DGADLP Cc1noc(C2CC[NH+](Cc3c(C)cc(C)[nH+]c3C)CC2)n1 ZINC000639459909 435304497 /nfs/dbraw/zinc/30/44/97/435304497.db2.gz QCUVXECQACHFIZ-UHFFFAOYSA-N 2 2 300.406 3.078 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000648462541 435307501 /nfs/dbraw/zinc/30/75/01/435307501.db2.gz IWLIDDYCGSBTMO-KZNAEPCWSA-N 2 2 313.445 3.251 20 0 DGADLP CCn1nc(C)c(C[N@H+](C)CCCc2ccc(C)[nH+]c2)c1C ZINC000639360162 435262152 /nfs/dbraw/zinc/26/21/52/435262152.db2.gz HUKSWJKJGYPMCE-UHFFFAOYSA-N 2 2 300.450 3.288 20 0 DGADLP CCn1nc(C)c(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)c1C ZINC000639360162 435262158 /nfs/dbraw/zinc/26/21/58/435262158.db2.gz HUKSWJKJGYPMCE-UHFFFAOYSA-N 2 2 300.450 3.288 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000648500362 435320987 /nfs/dbraw/zinc/32/09/87/435320987.db2.gz ZYLWDSFQUWLALA-OAHLLOKOSA-N 2 2 316.445 3.064 20 0 DGADLP CC(C)c1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)nc(C(C)C)[nH+]1 ZINC000511369914 435321417 /nfs/dbraw/zinc/32/14/17/435321417.db2.gz QECKTUQRCDNSJI-AWEZNQCLSA-N 2 2 302.466 3.208 20 0 DGADLP CC(C)c1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc(C(C)C)[nH+]1 ZINC000511369914 435321422 /nfs/dbraw/zinc/32/14/22/435321422.db2.gz QECKTUQRCDNSJI-AWEZNQCLSA-N 2 2 302.466 3.208 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240766 435326226 /nfs/dbraw/zinc/32/62/26/435326226.db2.gz GMVXUADWZNDPRA-SJLPKXTDSA-N 2 2 322.880 3.274 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479240766 435326232 /nfs/dbraw/zinc/32/62/32/435326232.db2.gz GMVXUADWZNDPRA-SJLPKXTDSA-N 2 2 322.880 3.274 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000535315193 435327778 /nfs/dbraw/zinc/32/77/78/435327778.db2.gz XNJGRKQLBMYTNJ-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000535315193 435327783 /nfs/dbraw/zinc/32/77/83/435327783.db2.gz XNJGRKQLBMYTNJ-GFCCVEGCSA-N 2 2 314.414 3.126 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(C)[nH+]1 ZINC000639518639 435328963 /nfs/dbraw/zinc/32/89/63/435328963.db2.gz LPLIAFYXRNWTGQ-HNNXBMFYSA-N 2 2 316.367 3.142 20 0 DGADLP COc1ncc(C[NH+]2CCC([NH2+]C(C)C)CC2)c2ccccc21 ZINC000639526437 435332262 /nfs/dbraw/zinc/33/22/62/435332262.db2.gz CRPSHFCOWOLTJD-UHFFFAOYSA-N 2 2 313.445 3.206 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CCO2 ZINC000643482466 435333869 /nfs/dbraw/zinc/33/38/69/435333869.db2.gz PIZHANQSEAEOHG-GVDBMIGSSA-N 2 2 304.434 3.159 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CCO2 ZINC000643481735 435334067 /nfs/dbraw/zinc/33/40/67/435334067.db2.gz QFYDTIOQTUGKTB-SQNIBIBYSA-N 2 2 310.397 3.253 20 0 DGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CCO2 ZINC000643482518 435334728 /nfs/dbraw/zinc/33/47/28/435334728.db2.gz VVTASEXZSBFPFJ-XOKHGSTOSA-N 2 2 304.434 3.029 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CCO2 ZINC000643482514 435334909 /nfs/dbraw/zinc/33/49/09/435334909.db2.gz VVTASEXZSBFPFJ-JQFCIGGWSA-N 2 2 304.434 3.029 20 0 DGADLP Cc1c([C@H](C)[NH2+]CC[NH2+]C2CC2)cnn1-c1cc(C)ccc1C ZINC000643507026 435338819 /nfs/dbraw/zinc/33/88/19/435338819.db2.gz QDUHPZHUCGYUOM-HNNXBMFYSA-N 2 2 312.461 3.200 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643501512 435339015 /nfs/dbraw/zinc/33/90/15/435339015.db2.gz JHXHITCFCWSXGY-WFASDCNBSA-N 2 2 314.351 3.304 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643508886 435339239 /nfs/dbraw/zinc/33/92/39/435339239.db2.gz QRLHQXPUYSGAPU-KXBFYZLASA-N 3 2 303.494 3.130 20 0 DGADLP C[N@H+](Cc1ccns1)[C@@H]1CCC[NH+](Cc2ccns2)CC1 ZINC000639546971 435339389 /nfs/dbraw/zinc/33/93/89/435339389.db2.gz NXXUZZZETROEAP-CYBMUJFWSA-N 2 2 322.503 3.086 20 0 DGADLP C[N@@H+](Cc1ccns1)[C@@H]1CCC[NH+](Cc2ccns2)CC1 ZINC000639546971 435339393 /nfs/dbraw/zinc/33/93/93/435339393.db2.gz NXXUZZZETROEAP-CYBMUJFWSA-N 2 2 322.503 3.086 20 0 DGADLP C[NH+](Cc1ccns1)[C@@H]1CCC[N@@H+](Cc2ccns2)CC1 ZINC000639546971 435339398 /nfs/dbraw/zinc/33/93/98/435339398.db2.gz NXXUZZZETROEAP-CYBMUJFWSA-N 2 2 322.503 3.086 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2cccc(Br)c21 ZINC000643505878 435340132 /nfs/dbraw/zinc/34/01/32/435340132.db2.gz CFOXIJJCIPGIDW-IINYFYTJSA-N 2 2 309.251 3.339 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588797 435340539 /nfs/dbraw/zinc/34/05/39/435340539.db2.gz HUAAVBPAUUYQDY-NFAWXSAZSA-N 2 2 300.368 3.295 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000479588797 435340543 /nfs/dbraw/zinc/34/05/43/435340543.db2.gz HUAAVBPAUUYQDY-NFAWXSAZSA-N 2 2 300.368 3.295 20 0 DGADLP C[NH+](C)CCCC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000639555568 435341230 /nfs/dbraw/zinc/34/12/30/435341230.db2.gz RMTLCSRTWUOIEV-UHFFFAOYSA-N 2 2 306.425 3.062 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@@H](C)[NH3+])C(C)C)c(Br)c1 ZINC000643527438 435343456 /nfs/dbraw/zinc/34/34/56/435343456.db2.gz MXPJWJCERKYLNJ-YGRLFVJLSA-N 2 2 315.255 3.092 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1sccc1Br ZINC000643525814 435344663 /nfs/dbraw/zinc/34/46/63/435344663.db2.gz QJFGDNWKNRDQTG-UTLUCORTSA-N 2 2 303.269 3.302 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@H](C)c1nc2ccccc2s1 ZINC000643537692 435346803 /nfs/dbraw/zinc/34/68/03/435346803.db2.gz OIVCKARISRLMFH-RNJOBUHISA-N 2 2 307.438 3.078 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000639566833 435348527 /nfs/dbraw/zinc/34/85/27/435348527.db2.gz LMXWCPJMKYIEAN-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCO[C@H]1C ZINC000639569115 435348843 /nfs/dbraw/zinc/34/88/43/435348843.db2.gz ROEPRGIKHKFLAU-UAGQMJEPSA-N 2 2 313.445 3.234 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000639569115 435348848 /nfs/dbraw/zinc/34/88/48/435348848.db2.gz ROEPRGIKHKFLAU-UAGQMJEPSA-N 2 2 313.445 3.234 20 0 DGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cscn1 ZINC000535777530 435350917 /nfs/dbraw/zinc/35/09/17/435350917.db2.gz GGEUEXKEGADIAX-AWEZNQCLSA-N 2 2 312.442 3.281 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593288 435357236 /nfs/dbraw/zinc/35/72/36/435357236.db2.gz UCJOZTVUEQXBDK-INIZCTEOSA-N 2 2 305.809 3.009 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593288 435357239 /nfs/dbraw/zinc/35/72/39/435357239.db2.gz UCJOZTVUEQXBDK-INIZCTEOSA-N 2 2 305.809 3.009 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593288 435357247 /nfs/dbraw/zinc/35/72/47/435357247.db2.gz UCJOZTVUEQXBDK-INIZCTEOSA-N 2 2 305.809 3.009 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)C1 ZINC000648593288 435357250 /nfs/dbraw/zinc/35/72/50/435357250.db2.gz UCJOZTVUEQXBDK-INIZCTEOSA-N 2 2 305.809 3.009 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639590817 435358252 /nfs/dbraw/zinc/35/82/52/435358252.db2.gz KMNBWNXUYJSFQP-GOSISDBHSA-N 2 2 313.445 3.033 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639590817 435358256 /nfs/dbraw/zinc/35/82/56/435358256.db2.gz KMNBWNXUYJSFQP-GOSISDBHSA-N 2 2 313.445 3.033 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@@H](C(C)(C)C)C3)c[nH+]c12 ZINC000480002231 435361107 /nfs/dbraw/zinc/36/11/07/435361107.db2.gz PQACBDZZTMGPRY-GDBMZVCRSA-N 2 2 301.434 3.326 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000480050953 435362886 /nfs/dbraw/zinc/36/28/86/435362886.db2.gz YPBNRDPYCPQWPJ-ROUUACIJSA-N 2 2 304.478 3.311 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000480023889 435363411 /nfs/dbraw/zinc/36/34/11/435363411.db2.gz YKPWSWOIAULYKL-PKOBYXMFSA-N 2 2 304.478 3.311 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756227 435408615 /nfs/dbraw/zinc/40/86/15/435408615.db2.gz RVMNDAZGIYSEKM-UHFFFAOYSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756227 435408620 /nfs/dbraw/zinc/40/86/20/435408620.db2.gz RVMNDAZGIYSEKM-UHFFFAOYSA-N 3 2 324.472 3.098 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779041 435411376 /nfs/dbraw/zinc/41/13/76/435411376.db2.gz WWBKMYTZJMMNMH-GOSISDBHSA-N 2 2 307.401 3.241 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015636 435421231 /nfs/dbraw/zinc/42/12/31/435421231.db2.gz GZSYLOVZUSTEMC-GUYCJALGSA-N 2 2 317.433 3.162 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015636 435421238 /nfs/dbraw/zinc/42/12/38/435421238.db2.gz GZSYLOVZUSTEMC-GUYCJALGSA-N 2 2 317.433 3.162 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(C)[nH+]1 ZINC000639624835 435371117 /nfs/dbraw/zinc/37/11/17/435371117.db2.gz WUWOTPZWQQKUNH-JTDSTZFVSA-N 2 2 318.461 3.165 20 0 DGADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(C)[nH+]1 ZINC000639624835 435371120 /nfs/dbraw/zinc/37/11/20/435371120.db2.gz WUWOTPZWQQKUNH-JTDSTZFVSA-N 2 2 318.461 3.165 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000480269062 435372990 /nfs/dbraw/zinc/37/29/90/435372990.db2.gz ULQDPAJVZMINIY-BZSNNMDCSA-N 2 2 304.478 3.453 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000480271453 435373106 /nfs/dbraw/zinc/37/31/06/435373106.db2.gz ZMXMFDFQEDXLNP-FCEWJHQRSA-N 2 2 316.489 3.498 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC(C)(C)c3ccccc32)C[C@H](C)O1 ZINC000480271453 435373110 /nfs/dbraw/zinc/37/31/10/435373110.db2.gz ZMXMFDFQEDXLNP-FCEWJHQRSA-N 2 2 316.489 3.498 20 0 DGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)OC ZINC000648658479 435374231 /nfs/dbraw/zinc/37/42/31/435374231.db2.gz JCUNZAYUAADLEZ-CXAGYDPISA-N 2 2 305.397 3.162 20 0 DGADLP c1ccc(C[N@H+]2C[C@H]3CN(c4[nH]c5ccccc5[nH+]4)C[C@H]3C2)cc1 ZINC000480591417 435386766 /nfs/dbraw/zinc/38/67/66/435386766.db2.gz SVYFZMGKCHEDNK-CALCHBBNSA-N 2 2 318.424 3.131 20 0 DGADLP c1ccc(C[N@@H+]2C[C@H]3CN(c4[nH]c5ccccc5[nH+]4)C[C@H]3C2)cc1 ZINC000480591417 435386770 /nfs/dbraw/zinc/38/67/70/435386770.db2.gz SVYFZMGKCHEDNK-CALCHBBNSA-N 2 2 318.424 3.131 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C2CC2)c1 ZINC000513527404 435391717 /nfs/dbraw/zinc/39/17/17/435391717.db2.gz SKUZWNJSUCEKMR-OXJNMPFZSA-N 2 2 316.489 3.338 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C2CC2)c1 ZINC000513527404 435391724 /nfs/dbraw/zinc/39/17/24/435391724.db2.gz SKUZWNJSUCEKMR-OXJNMPFZSA-N 2 2 316.489 3.338 20 0 DGADLP CCCC[C@@H](COC)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480775910 435395649 /nfs/dbraw/zinc/39/56/49/435395649.db2.gz DGTNOQYQJNDTRY-INIZCTEOSA-N 2 2 314.539 3.143 20 0 DGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000644529909 435447550 /nfs/dbraw/zinc/44/75/50/435447550.db2.gz JKKXTSNHPKVNSI-JXFKEZNVSA-N 2 2 321.424 3.127 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000644528669 435447659 /nfs/dbraw/zinc/44/76/59/435447659.db2.gz LLYZJOPYZFOLRL-DOMZBBRYSA-N 2 2 318.383 3.059 20 0 DGADLP OC[C@@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000639903546 435453050 /nfs/dbraw/zinc/45/30/50/435453050.db2.gz PNMNYUGFQQJQHY-FQEVSTJZSA-N 2 2 321.424 3.119 20 0 DGADLP OC[C@@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000639903546 435453055 /nfs/dbraw/zinc/45/30/55/435453055.db2.gz PNMNYUGFQQJQHY-FQEVSTJZSA-N 2 2 321.424 3.119 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000482352549 435463573 /nfs/dbraw/zinc/46/35/73/435463573.db2.gz PKBCRCOORJJFKT-QRQLOZEOSA-N 2 2 304.478 3.473 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000482352549 435463578 /nfs/dbraw/zinc/46/35/78/435463578.db2.gz PKBCRCOORJJFKT-QRQLOZEOSA-N 2 2 304.478 3.473 20 0 DGADLP COc1ccc(-c2nc(C[NH2+]C[C@H](C)C[NH+](C)C)cs2)cc1 ZINC000644414897 435439503 /nfs/dbraw/zinc/43/95/03/435439503.db2.gz NNHBDSIDDINTHR-ZDUSSCGKSA-N 2 2 319.474 3.106 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000569098522 435503074 /nfs/dbraw/zinc/50/30/74/435503074.db2.gz ICQIQRKMKSHYPM-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000569098522 435503079 /nfs/dbraw/zinc/50/30/79/435503079.db2.gz ICQIQRKMKSHYPM-HXUWFJFHSA-N 2 2 310.441 3.304 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000640129429 435522038 /nfs/dbraw/zinc/52/20/38/435522038.db2.gz ZPKXUUIDQQHMDB-GDBMZVCRSA-N 2 2 318.465 3.283 20 0 DGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000516283694 435524559 /nfs/dbraw/zinc/52/45/59/435524559.db2.gz BYSLTFHMBPMNNC-HXUWFJFHSA-N 2 2 310.441 3.206 20 0 DGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000516283694 435524563 /nfs/dbraw/zinc/52/45/63/435524563.db2.gz BYSLTFHMBPMNNC-HXUWFJFHSA-N 2 2 310.441 3.206 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 ZINC000483686658 435528412 /nfs/dbraw/zinc/52/84/12/435528412.db2.gz AYBFTZJWVCTZME-JCHJZTRSSA-N 2 2 302.462 3.145 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 ZINC000483686658 435528414 /nfs/dbraw/zinc/52/84/14/435528414.db2.gz AYBFTZJWVCTZME-JCHJZTRSSA-N 2 2 302.462 3.145 20 0 DGADLP CC(C)CC[C@@H](O)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000482823624 435482865 /nfs/dbraw/zinc/48/28/65/435482865.db2.gz SUUNWIRQJYRFTN-GOSISDBHSA-N 2 2 306.494 3.284 20 0 DGADLP CC(C)CC[C@@H](O)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000482823624 435482869 /nfs/dbraw/zinc/48/28/69/435482869.db2.gz SUUNWIRQJYRFTN-GOSISDBHSA-N 2 2 306.494 3.284 20 0 DGADLP CC(C)CC[C@H](O)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000482823625 435484256 /nfs/dbraw/zinc/48/42/56/435484256.db2.gz SUUNWIRQJYRFTN-SFHVURJKSA-N 2 2 306.494 3.284 20 0 DGADLP CC(C)CC[C@H](O)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000482823625 435484263 /nfs/dbraw/zinc/48/42/63/435484263.db2.gz SUUNWIRQJYRFTN-SFHVURJKSA-N 2 2 306.494 3.284 20 0 DGADLP CC[NH+](CC)[C@H](CNCc1[nH]c(C)c(C)[nH+]1)c1ccsc1 ZINC000515673116 435498522 /nfs/dbraw/zinc/49/85/22/435498522.db2.gz PNDPWSNCWXSJAY-OAHLLOKOSA-N 2 2 306.479 3.261 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000649287324 435557444 /nfs/dbraw/zinc/55/74/44/435557444.db2.gz PGYSINHIQZRAIO-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000649287324 435557446 /nfs/dbraw/zinc/55/74/46/435557446.db2.gz PGYSINHIQZRAIO-AWEZNQCLSA-N 2 2 305.809 3.382 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000486201620 435592111 /nfs/dbraw/zinc/59/21/11/435592111.db2.gz VXXNVJFRRDBZPR-NHCUHLMSSA-N 2 2 324.468 3.131 20 0 DGADLP C[C@H](CCSc1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570145639 435592311 /nfs/dbraw/zinc/59/23/11/435592311.db2.gz AGPKZZLVEZMJQD-OAHLLOKOSA-N 2 2 316.474 3.103 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485727523 435578420 /nfs/dbraw/zinc/57/84/20/435578420.db2.gz WHAXBHRXCCOHRI-UHOFOFEASA-N 2 2 312.379 3.405 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485727523 435578425 /nfs/dbraw/zinc/57/84/25/435578425.db2.gz WHAXBHRXCCOHRI-UHOFOFEASA-N 2 2 312.379 3.405 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241221 435584338 /nfs/dbraw/zinc/58/43/38/435584338.db2.gz QYLGDIGSIXJJKB-GUYCJALGSA-N 2 2 303.381 3.114 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000517241221 435584340 /nfs/dbraw/zinc/58/43/40/435584340.db2.gz QYLGDIGSIXJJKB-GUYCJALGSA-N 2 2 303.381 3.114 20 0 DGADLP CSc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000517246928 435587007 /nfs/dbraw/zinc/58/70/07/435587007.db2.gz CZOHKEDXJSPXTC-QGZVFWFLSA-N 2 2 320.502 3.095 20 0 DGADLP CSc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000517246928 435587009 /nfs/dbraw/zinc/58/70/09/435587009.db2.gz CZOHKEDXJSPXTC-QGZVFWFLSA-N 2 2 320.502 3.095 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000644901940 435537500 /nfs/dbraw/zinc/53/75/00/435537500.db2.gz MUOZPHHOLFJLNJ-GOSISDBHSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000644901940 435537504 /nfs/dbraw/zinc/53/75/04/435537504.db2.gz MUOZPHHOLFJLNJ-GOSISDBHSA-N 2 2 312.461 3.170 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000484179572 435540907 /nfs/dbraw/zinc/54/09/07/435540907.db2.gz ZSGMEVKUVXDDBG-IRXDYDNUSA-N 2 2 304.478 3.258 20 0 DGADLP CN1Cc2ccccc2[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000540155810 435591515 /nfs/dbraw/zinc/59/15/15/435591515.db2.gz LJSTULKSMGEVQY-HXUWFJFHSA-N 2 2 313.489 3.170 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592179 435608608 /nfs/dbraw/zinc/60/86/08/435608608.db2.gz UJEFHMHXPOUDDT-CGTJXYLNSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C12CCCC2 ZINC000540592179 435608611 /nfs/dbraw/zinc/60/86/11/435608611.db2.gz UJEFHMHXPOUDDT-CGTJXYLNSA-N 2 2 306.494 3.331 20 0 DGADLP C[C@@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000540618655 435610425 /nfs/dbraw/zinc/61/04/25/435610425.db2.gz SBYXJLZYADETAQ-CHWSQXEVSA-N 2 2 308.389 3.059 20 0 DGADLP CCCn1c2ccccc2[nH+]c1NCc1c[nH+]c2ccc(C)cn12 ZINC000540807142 435617920 /nfs/dbraw/zinc/61/79/20/435617920.db2.gz WHGXHEXRUJYCKO-UHFFFAOYSA-N 2 2 319.412 3.436 20 0 DGADLP CC[C@H](C[NH2+]C[C@@H]1CCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000486942525 435621397 /nfs/dbraw/zinc/62/13/97/435621397.db2.gz VHYZSYZXNXVEBH-MAUKXSAKSA-N 2 2 304.503 3.166 20 0 DGADLP CC[C@H](C[NH2+]C[C@@H]1CCSC1)[N@H+]1CCc2ccccc2C1 ZINC000486942525 435621401 /nfs/dbraw/zinc/62/14/01/435621401.db2.gz VHYZSYZXNXVEBH-MAUKXSAKSA-N 2 2 304.503 3.166 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570162928 435594378 /nfs/dbraw/zinc/59/43/78/435594378.db2.gz VJVYIHNBWXWJIV-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP c1sc(-c2ccccc2)nc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570162928 435594382 /nfs/dbraw/zinc/59/43/82/435594382.db2.gz VJVYIHNBWXWJIV-GOSISDBHSA-N 2 2 313.470 3.386 20 0 DGADLP CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CCCn1cc[nH+]c1 ZINC000540588963 435607198 /nfs/dbraw/zinc/60/71/98/435607198.db2.gz KCJUJXKEMHFMRV-QGZVFWFLSA-N 2 2 319.424 3.496 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000649616266 435644064 /nfs/dbraw/zinc/64/40/64/435644064.db2.gz HLRXGFBGSXOUBD-INIZCTEOSA-N 2 2 317.477 3.175 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000649616266 435644066 /nfs/dbraw/zinc/64/40/66/435644066.db2.gz HLRXGFBGSXOUBD-INIZCTEOSA-N 2 2 317.477 3.175 20 0 DGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649625371 435646532 /nfs/dbraw/zinc/64/65/32/435646532.db2.gz YDNUVJAWXBDFHK-AWEZNQCLSA-N 2 2 322.880 3.228 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000571006653 435670801 /nfs/dbraw/zinc/67/08/01/435670801.db2.gz YEISLABVRHYHPZ-UHFFFAOYSA-N 2 2 320.868 3.218 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)CCC[NH+](C)C ZINC000571006653 435670805 /nfs/dbraw/zinc/67/08/05/435670805.db2.gz YEISLABVRHYHPZ-UHFFFAOYSA-N 2 2 320.868 3.218 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000519063284 435667378 /nfs/dbraw/zinc/66/73/78/435667378.db2.gz VHFVVZMRUBTWEM-KRWDZBQOSA-N 2 2 313.445 3.160 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000519063284 435667380 /nfs/dbraw/zinc/66/73/80/435667380.db2.gz VHFVVZMRUBTWEM-KRWDZBQOSA-N 2 2 313.445 3.160 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000519230920 435676660 /nfs/dbraw/zinc/67/66/60/435676660.db2.gz VYDWOAHOPPBZTI-UHFFFAOYSA-N 2 2 306.413 3.364 20 0 DGADLP C[C@H]1C[N@H+](Cc2cc[nH+]c(N)c2)CCc2ccc(Cl)cc21 ZINC000649746547 435690507 /nfs/dbraw/zinc/69/05/07/435690507.db2.gz BXOFSZBCXZWMJD-LBPRGKRZSA-N 2 2 301.821 3.309 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cc[nH+]c(N)c2)CCc2ccc(Cl)cc21 ZINC000649746547 435690510 /nfs/dbraw/zinc/69/05/10/435690510.db2.gz BXOFSZBCXZWMJD-LBPRGKRZSA-N 2 2 301.821 3.309 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641111773 435692935 /nfs/dbraw/zinc/69/29/35/435692935.db2.gz GLYDGSZHRUXYSX-UHFFFAOYSA-N 2 2 313.449 3.185 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000519610976 435694039 /nfs/dbraw/zinc/69/40/39/435694039.db2.gz OUEZJXKUFSGZQY-GFCCVEGCSA-N 2 2 319.276 3.131 20 0 DGADLP CC[NH+]1CCN(C[C@@H](C)CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641302288 435727841 /nfs/dbraw/zinc/72/78/41/435727841.db2.gz NLMIYKVYQHYGOX-INIZCTEOSA-N 2 2 318.509 3.065 20 0 DGADLP CCN1CC[NH+](C[C@@H](C)CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641302288 435727846 /nfs/dbraw/zinc/72/78/46/435727846.db2.gz NLMIYKVYQHYGOX-INIZCTEOSA-N 2 2 318.509 3.065 20 0 DGADLP C[N@@H+]1CCC[C@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1cccs1 ZINC000641394282 435734748 /nfs/dbraw/zinc/73/47/48/435734748.db2.gz LNLVETUQGNAGCV-PBHICJAKSA-N 2 2 317.458 3.130 20 0 DGADLP C[N@H+]1CCC[C@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1cccs1 ZINC000641394282 435734753 /nfs/dbraw/zinc/73/47/53/435734753.db2.gz LNLVETUQGNAGCV-PBHICJAKSA-N 2 2 317.458 3.130 20 0 DGADLP Cc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)o1 ZINC000660434631 435742691 /nfs/dbraw/zinc/74/26/91/435742691.db2.gz HGAFRMOJLAJIAZ-UHFFFAOYSA-N 2 2 314.433 3.204 20 0 DGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716729 435745423 /nfs/dbraw/zinc/74/54/23/435745423.db2.gz YITWQHSKWYKHGC-QXCFHYIPSA-N 2 2 308.510 3.290 20 0 DGADLP CC1CC[NH+](C2CCC(Nc3cc(CO)cc[nH+]3)CC2)CC1 ZINC000641459336 435749864 /nfs/dbraw/zinc/74/98/64/435749864.db2.gz XPGWIPLCNLHWHZ-UHFFFAOYSA-N 2 2 303.450 3.029 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3ccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000655722107 435750191 /nfs/dbraw/zinc/75/01/91/435750191.db2.gz XHZLZJLOWWBUJE-NZSAHSFTSA-N 2 2 324.472 3.361 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3ccnc32)CC[N@H+]1Cc1ccccc1 ZINC000655722107 435750193 /nfs/dbraw/zinc/75/01/93/435750193.db2.gz XHZLZJLOWWBUJE-NZSAHSFTSA-N 2 2 324.472 3.361 20 0 DGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655720508 435750758 /nfs/dbraw/zinc/75/07/58/435750758.db2.gz YGSQRHDBLSCFTB-UYAOXDASSA-N 2 2 316.489 3.159 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655724015 435752129 /nfs/dbraw/zinc/75/21/29/435752129.db2.gz QPWFJORRXWKDEZ-HKUYNNGSSA-N 2 2 318.436 3.046 20 0 DGADLP CC(C)(C)c1nc(NCC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000664647637 435752839 /nfs/dbraw/zinc/75/28/39/435752839.db2.gz SSMIFGAQMUVVFP-UHFFFAOYSA-N 2 2 302.466 3.308 20 0 DGADLP Cc1cc(C)cc(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655729348 435753905 /nfs/dbraw/zinc/75/39/05/435753905.db2.gz KDXMKBAOZCYCHW-PXNSSMCTSA-N 2 2 316.489 3.077 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655734178 435758096 /nfs/dbraw/zinc/75/80/96/435758096.db2.gz BIRGXUDSXVJXGL-RVKKMQEKSA-N 2 2 319.518 3.481 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21 ZINC000655736259 435758199 /nfs/dbraw/zinc/75/81/99/435758199.db2.gz CPJNQDBMXNKKQU-OXFYSEKESA-N 2 2 314.473 3.468 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000571483783 435710913 /nfs/dbraw/zinc/71/09/13/435710913.db2.gz OVSCTOCKBXNXDT-UHFFFAOYSA-N 2 2 313.445 3.044 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000571483783 435710920 /nfs/dbraw/zinc/71/09/20/435710920.db2.gz OVSCTOCKBXNXDT-UHFFFAOYSA-N 2 2 313.445 3.044 20 0 DGADLP Fc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771196 435788078 /nfs/dbraw/zinc/78/80/78/435788078.db2.gz CMHWJPUVRYWTTL-DNVCBOLYSA-N 2 2 318.436 3.046 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000651725383 435804410 /nfs/dbraw/zinc/80/44/10/435804410.db2.gz BNXGHSUKTQMEPW-CRAIPNDOSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000651725383 435804418 /nfs/dbraw/zinc/80/44/18/435804418.db2.gz BNXGHSUKTQMEPW-CRAIPNDOSA-N 2 2 312.461 3.061 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550678821 435805855 /nfs/dbraw/zinc/80/58/55/435805855.db2.gz UZJMOSJOCVTXPC-HLAWJBBLSA-N 2 2 324.468 3.454 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550678821 435805861 /nfs/dbraw/zinc/80/58/61/435805861.db2.gz UZJMOSJOCVTXPC-HLAWJBBLSA-N 2 2 324.468 3.454 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000651736194 435812261 /nfs/dbraw/zinc/81/22/61/435812261.db2.gz PUZKYPZAJATHIK-YWZLYKJASA-N 2 2 324.472 3.061 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000651736194 435812265 /nfs/dbraw/zinc/81/22/65/435812265.db2.gz PUZKYPZAJATHIK-YWZLYKJASA-N 2 2 324.472 3.061 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCCO3)cc2)c[nH+]1 ZINC000655811598 435816245 /nfs/dbraw/zinc/81/62/45/435816245.db2.gz VGWAYZAJEUKKNF-RBUKOAKNSA-N 2 2 311.429 3.310 20 0 DGADLP Cn1nccc1-c1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000646071503 435764820 /nfs/dbraw/zinc/76/48/20/435764820.db2.gz AGKAVGOYHBNWHB-KRWDZBQOSA-N 2 2 321.428 3.121 20 0 DGADLP Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000646071503 435764827 /nfs/dbraw/zinc/76/48/27/435764827.db2.gz AGKAVGOYHBNWHB-KRWDZBQOSA-N 2 2 321.428 3.121 20 0 DGADLP c1ccc([C@H](CC2CC2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655742488 435764944 /nfs/dbraw/zinc/76/49/44/435764944.db2.gz KBUNDSTZHQKPOB-PMACEKPBSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCn2ccnc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655752065 435773461 /nfs/dbraw/zinc/77/34/61/435773461.db2.gz HVAIAUHOKDFTNC-YTQUADARSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCn2ccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655752065 435773468 /nfs/dbraw/zinc/77/34/68/435773468.db2.gz HVAIAUHOKDFTNC-YTQUADARSA-N 2 2 324.472 3.218 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644224 435777100 /nfs/dbraw/zinc/77/71/00/435777100.db2.gz JDQBSBDSRGPCTA-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644224 435777106 /nfs/dbraw/zinc/77/71/06/435777106.db2.gz JDQBSBDSRGPCTA-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644224 435777113 /nfs/dbraw/zinc/77/71/13/435777113.db2.gz JDQBSBDSRGPCTA-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000651644224 435777120 /nfs/dbraw/zinc/77/71/20/435777120.db2.gz JDQBSBDSRGPCTA-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cncs3)C2)s1 ZINC000660495856 435777531 /nfs/dbraw/zinc/77/75/31/435777531.db2.gz CZBSCNLHTXAQCQ-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cncs3)C2)s1 ZINC000660495856 435777537 /nfs/dbraw/zinc/77/75/37/435777537.db2.gz CZBSCNLHTXAQCQ-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cncs3)C2)s1 ZINC000660495856 435777544 /nfs/dbraw/zinc/77/75/44/435777544.db2.gz CZBSCNLHTXAQCQ-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cncs3)C2)s1 ZINC000660495856 435777550 /nfs/dbraw/zinc/77/75/50/435777550.db2.gz CZBSCNLHTXAQCQ-CQSZACIVSA-N 2 2 321.515 3.467 20 0 DGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655756425 435778363 /nfs/dbraw/zinc/77/83/63/435778363.db2.gz FMKRSUBABKFHBW-AOIWGVFYSA-N 2 2 308.510 3.434 20 0 DGADLP Fc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771176 435785624 /nfs/dbraw/zinc/78/56/24/435785624.db2.gz BZPALQFHSIEYGU-GOSISDBHSA-N 2 2 318.436 3.046 20 0 DGADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676965 435786824 /nfs/dbraw/zinc/78/68/24/435786824.db2.gz STWGPFFYQQVYTK-CQSZACIVSA-N 2 2 314.832 3.024 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676965 435786826 /nfs/dbraw/zinc/78/68/26/435786826.db2.gz STWGPFFYQQVYTK-CQSZACIVSA-N 2 2 314.832 3.024 20 0 DGADLP Cn1c2ccc(NC(=O)CC3([NH3+])CCC3)cc2[nH+]c1C(C)(C)C ZINC000646274704 435829426 /nfs/dbraw/zinc/82/94/26/435829426.db2.gz IYESAEYHPBCXQN-UHFFFAOYSA-N 2 2 314.433 3.081 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000655836230 435829767 /nfs/dbraw/zinc/82/97/67/435829767.db2.gz GDMAQONUXLWUAF-MBOZVWFJSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000655836230 435829770 /nfs/dbraw/zinc/82/97/70/435829770.db2.gz GDMAQONUXLWUAF-MBOZVWFJSA-N 2 2 309.457 3.123 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000655836148 435831505 /nfs/dbraw/zinc/83/15/05/435831505.db2.gz DDXFVKQBXYYDCP-FUHIMQAGSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000655836148 435831511 /nfs/dbraw/zinc/83/15/11/435831511.db2.gz DDXFVKQBXYYDCP-FUHIMQAGSA-N 2 2 309.457 3.265 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651809162 435834794 /nfs/dbraw/zinc/83/47/94/435834794.db2.gz OREDBOXCHSUMAO-UHFFFAOYSA-N 2 2 314.477 3.263 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651809162 435834796 /nfs/dbraw/zinc/83/47/96/435834796.db2.gz OREDBOXCHSUMAO-UHFFFAOYSA-N 2 2 314.477 3.263 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849855 435838436 /nfs/dbraw/zinc/83/84/36/435838436.db2.gz ZNSRXLADQNNFKK-JGGQBBKZSA-N 2 2 315.417 3.201 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)oc2c1 ZINC000655849855 435838440 /nfs/dbraw/zinc/83/84/40/435838440.db2.gz ZNSRXLADQNNFKK-JGGQBBKZSA-N 2 2 315.417 3.201 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848605 435839777 /nfs/dbraw/zinc/83/97/77/435839777.db2.gz IQOJRYABRASGEW-BACDZXNISA-N 2 2 318.465 3.011 20 0 DGADLP Cc1noc(C2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848605 435839783 /nfs/dbraw/zinc/83/97/83/435839783.db2.gz IQOJRYABRASGEW-BACDZXNISA-N 2 2 318.465 3.011 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000572579962 435841666 /nfs/dbraw/zinc/84/16/66/435841666.db2.gz OCBHXRMHTSQSLL-AZRLCKCBSA-N 2 2 318.505 3.188 20 0 DGADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000572579962 435841669 /nfs/dbraw/zinc/84/16/69/435841669.db2.gz OCBHXRMHTSQSLL-AZRLCKCBSA-N 2 2 318.505 3.188 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC000660661680 435845800 /nfs/dbraw/zinc/84/58/00/435845800.db2.gz FFPKPFLGTSRONN-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC000660661680 435845805 /nfs/dbraw/zinc/84/58/05/435845805.db2.gz FFPKPFLGTSRONN-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1Cl ZINC000660661680 435845808 /nfs/dbraw/zinc/84/58/08/435845808.db2.gz FFPKPFLGTSRONN-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000660661680 435845814 /nfs/dbraw/zinc/84/58/14/435845814.db2.gz FFPKPFLGTSRONN-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000655856731 435846131 /nfs/dbraw/zinc/84/61/31/435846131.db2.gz OXBMBQZKIIIOPV-ZWKOTPCHSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000655856731 435846141 /nfs/dbraw/zinc/84/61/41/435846141.db2.gz OXBMBQZKIIIOPV-ZWKOTPCHSA-N 2 2 316.493 3.033 20 0 DGADLP CC[C@]1(C)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551700003 435849067 /nfs/dbraw/zinc/84/90/67/435849067.db2.gz RGSYXJQIZJTKKT-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@]1(C)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551700003 435849076 /nfs/dbraw/zinc/84/90/76/435849076.db2.gz RGSYXJQIZJTKKT-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@]1(C)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551700003 435849077 /nfs/dbraw/zinc/84/90/77/435849077.db2.gz RGSYXJQIZJTKKT-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP CC[C@]1(C)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551700003 435849085 /nfs/dbraw/zinc/84/90/85/435849085.db2.gz RGSYXJQIZJTKKT-VQTJNVASSA-N 2 2 316.489 3.400 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)[C@@H]1C[NH3+] ZINC000430592864 533694746 /nfs/dbraw/zinc/69/47/46/533694746.db2.gz IINKZFPGYFSEAW-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000651866356 435851201 /nfs/dbraw/zinc/85/12/01/435851201.db2.gz AVHCUJANCRMJMU-UHFFFAOYSA-N 2 2 312.461 3.211 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000651866356 435851205 /nfs/dbraw/zinc/85/12/05/435851205.db2.gz AVHCUJANCRMJMU-UHFFFAOYSA-N 2 2 312.461 3.211 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1nsc3ccccc31)C2 ZINC000660665711 435851944 /nfs/dbraw/zinc/85/19/44/435851944.db2.gz XIXBOKYXBBNULN-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1nsc3ccccc31)C2 ZINC000660665711 435851950 /nfs/dbraw/zinc/85/19/50/435851950.db2.gz XIXBOKYXBBNULN-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1nsc3ccccc31)C2 ZINC000660665711 435851958 /nfs/dbraw/zinc/85/19/58/435851958.db2.gz XIXBOKYXBBNULN-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1nsc3ccccc31)C2 ZINC000660665711 435851967 /nfs/dbraw/zinc/85/19/67/435851967.db2.gz XIXBOKYXBBNULN-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000651865704 435852075 /nfs/dbraw/zinc/85/20/75/435852075.db2.gz FKCIRCJFKBRTOY-UHFFFAOYSA-N 2 2 308.857 3.055 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000651865704 435852080 /nfs/dbraw/zinc/85/20/80/435852080.db2.gz FKCIRCJFKBRTOY-UHFFFAOYSA-N 2 2 308.857 3.055 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000551872270 435855085 /nfs/dbraw/zinc/85/50/85/435855085.db2.gz XPUFKNMIVZYMMI-AWEZNQCLSA-N 2 2 314.477 3.011 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909724 435860905 /nfs/dbraw/zinc/86/09/05/435860905.db2.gz UZBMGPSSLUSMIE-BEFAXECRSA-N 2 2 323.440 3.446 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000651909724 435860912 /nfs/dbraw/zinc/86/09/12/435860912.db2.gz UZBMGPSSLUSMIE-BEFAXECRSA-N 2 2 323.440 3.446 20 0 DGADLP CCCc1ccc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cc1 ZINC000660696534 435863764 /nfs/dbraw/zinc/86/37/64/435863764.db2.gz MBPBZGDFAOHSIG-UHFFFAOYSA-N 2 2 318.505 3.212 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3conc3Cc3ccccc3)C2)[nH]1 ZINC000551948175 435864016 /nfs/dbraw/zinc/86/40/16/435864016.db2.gz USTNTOLBTQSKBF-INIZCTEOSA-N 2 2 322.412 3.368 20 0 DGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3conc3Cc3ccccc3)C2)[nH]1 ZINC000551948175 435864019 /nfs/dbraw/zinc/86/40/19/435864019.db2.gz USTNTOLBTQSKBF-INIZCTEOSA-N 2 2 322.412 3.368 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)[C@@H]1C[NH3+] ZINC000430592864 533694726 /nfs/dbraw/zinc/69/47/26/533694726.db2.gz IINKZFPGYFSEAW-TZMCWYRMSA-N 2 2 316.367 3.187 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551269211 435826563 /nfs/dbraw/zinc/82/65/63/435826563.db2.gz YQLLNWQBXLPEBX-UHFFFAOYSA-N 2 2 322.412 3.066 20 0 DGADLP COc1cccc(SCC[NH2+]C(C)(C)C[NH+]2CCCC2)c1 ZINC000660762325 435885949 /nfs/dbraw/zinc/88/59/49/435885949.db2.gz KZTAGIBCMXPQTG-UHFFFAOYSA-N 2 2 308.491 3.251 20 0 DGADLP Cc1cc(NC(=O)CC2([NH3+])CCC2)ccc1Oc1cc[nH+]cc1 ZINC000646534545 435894501 /nfs/dbraw/zinc/89/45/01/435894501.db2.gz WXGYOZPHAOLTTO-UHFFFAOYSA-N 2 2 311.385 3.392 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000656126146 435896683 /nfs/dbraw/zinc/89/66/83/435896683.db2.gz JYKJZXUHSDYXRN-RDJZCZTQSA-N 2 2 302.466 3.184 20 0 DGADLP Cc1c[nH+]c(C)nc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000656126146 435896685 /nfs/dbraw/zinc/89/66/85/435896685.db2.gz JYKJZXUHSDYXRN-RDJZCZTQSA-N 2 2 302.466 3.184 20 0 DGADLP CCc1csc(CC2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000656193833 435909298 /nfs/dbraw/zinc/90/92/98/435909298.db2.gz VKNQPCSZBMRUOK-OAHLLOKOSA-N 2 2 309.523 3.333 20 0 DGADLP CCc1csc(CC2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000656193832 435909568 /nfs/dbraw/zinc/90/95/68/435909568.db2.gz VKNQPCSZBMRUOK-HNNXBMFYSA-N 2 2 309.523 3.333 20 0 DGADLP COC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccc(F)c(F)c1 ZINC000652222718 435926651 /nfs/dbraw/zinc/92/66/51/435926651.db2.gz WATAVSHQTPFJSM-KRWDZBQOSA-N 2 2 314.420 3.220 20 0 DGADLP COC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccc(F)c(F)c1 ZINC000652222718 435926655 /nfs/dbraw/zinc/92/66/55/435926655.db2.gz WATAVSHQTPFJSM-KRWDZBQOSA-N 2 2 314.420 3.220 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000665250280 435927627 /nfs/dbraw/zinc/92/76/27/435927627.db2.gz MXNDJMIHAVBZNL-ZTFGCOKTSA-N 2 2 324.424 3.212 20 0 DGADLP COC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Cl)c1F ZINC000665247164 435928322 /nfs/dbraw/zinc/92/83/22/435928322.db2.gz XBKDELFAXYCALI-ZDUSSCGKSA-N 2 2 300.805 3.028 20 0 DGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278034 435936849 /nfs/dbraw/zinc/93/68/49/435936849.db2.gz SWJKOJYRJDIKKO-YAJUMTOWSA-N 2 2 306.837 3.204 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000665257378 435932521 /nfs/dbraw/zinc/93/25/21/435932521.db2.gz HQDKHGZKWSLGFH-NIKGAXFTSA-N 2 2 313.420 3.325 20 0 DGADLP CC[C@@H](C)[N@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109244 435968831 /nfs/dbraw/zinc/96/88/31/435968831.db2.gz QHWRCUGINIWUOV-CVEARBPZSA-N 2 2 303.450 3.134 20 0 DGADLP CC[C@@H](C)[N@@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109244 435968836 /nfs/dbraw/zinc/96/88/36/435968836.db2.gz QHWRCUGINIWUOV-CVEARBPZSA-N 2 2 303.450 3.134 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C[N@@H+]1C1CC1 ZINC000647227578 435981072 /nfs/dbraw/zinc/98/10/72/435981072.db2.gz DVULTXBRXYIEOQ-FMKPAKJESA-N 2 2 318.486 3.145 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C[N@H+]1C1CC1 ZINC000647227578 435981076 /nfs/dbraw/zinc/98/10/76/435981076.db2.gz DVULTXBRXYIEOQ-FMKPAKJESA-N 2 2 318.486 3.145 20 0 DGADLP Brc1cccc2c1CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278705 435937524 /nfs/dbraw/zinc/93/75/24/435937524.db2.gz MTEOXRRYIHWUSJ-YWCUFVOSSA-N 2 2 321.262 3.168 20 0 DGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC(F)(F)F)cc1 ZINC000665279807 435939069 /nfs/dbraw/zinc/93/90/69/435939069.db2.gz MTVXSBLZWUSMIE-XGTXGMFGSA-N 2 2 314.351 3.378 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000665296510 435942211 /nfs/dbraw/zinc/94/22/11/435942211.db2.gz UAGXRAFBIKNWNV-RYUDHWBXSA-N 2 2 306.841 3.093 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000665297162 435942473 /nfs/dbraw/zinc/94/24/73/435942473.db2.gz AFNHRGIYERUEIH-XHDPSFHLSA-N 2 2 311.267 3.414 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000665295545 435942906 /nfs/dbraw/zinc/94/29/06/435942906.db2.gz FTPZMUNQJUMNBX-SKDRFNHKSA-N 2 2 315.280 3.184 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000656426948 435943667 /nfs/dbraw/zinc/94/36/67/435943667.db2.gz RZIJFUQQDUEOIP-MJGOQNOKSA-N 2 2 313.445 3.062 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000656426948 435943669 /nfs/dbraw/zinc/94/36/69/435943669.db2.gz RZIJFUQQDUEOIP-MJGOQNOKSA-N 2 2 313.445 3.062 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000656426947 435943715 /nfs/dbraw/zinc/94/37/15/435943715.db2.gz RZIJFUQQDUEOIP-IEBWSBKVSA-N 2 2 313.445 3.062 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000656426947 435943719 /nfs/dbraw/zinc/94/37/19/435943719.db2.gz RZIJFUQQDUEOIP-IEBWSBKVSA-N 2 2 313.445 3.062 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)c2ccccc21 ZINC000665300121 435945160 /nfs/dbraw/zinc/94/51/60/435945160.db2.gz YRORCSUYPNDAJC-GJZGRUSLSA-N 2 2 307.319 3.335 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)c2ccccc21 ZINC000665300123 435945213 /nfs/dbraw/zinc/94/52/13/435945213.db2.gz YRORCSUYPNDAJC-LSDHHAIUSA-N 2 2 307.319 3.335 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000652341187 435953875 /nfs/dbraw/zinc/95/38/75/435953875.db2.gz OGZIMOPAAIZOFN-SUNKGSAMSA-N 2 2 302.340 3.061 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000652341188 435954352 /nfs/dbraw/zinc/95/43/52/435954352.db2.gz OGZIMOPAAIZOFN-UHIISALHSA-N 2 2 302.340 3.061 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)[C@@H]1CC[NH3+] ZINC000652355722 435956436 /nfs/dbraw/zinc/95/64/36/435956436.db2.gz FHFKFHHGWXSBSO-IUODEOHRSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)[C@@H]1CC[NH3+] ZINC000652355722 435956441 /nfs/dbraw/zinc/95/64/41/435956441.db2.gz FHFKFHHGWXSBSO-IUODEOHRSA-N 2 2 305.447 3.352 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CCC[C@@H]4C[C@@H]43)c12 ZINC000656472995 435956642 /nfs/dbraw/zinc/95/66/42/435956642.db2.gz FWGNMQVZPSFILV-IPYPFGDCSA-N 2 2 320.400 3.059 20 0 DGADLP CC(C)Cn1nccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000647169887 435956934 /nfs/dbraw/zinc/95/69/34/435956934.db2.gz FKPTVPZKAZSQEL-UHFFFAOYSA-N 2 2 323.444 3.074 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000652352357 435957045 /nfs/dbraw/zinc/95/70/45/435957045.db2.gz JZBODSGZWSOULT-GWCFXTLKSA-N 2 2 319.396 3.031 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000652352357 435957051 /nfs/dbraw/zinc/95/70/51/435957051.db2.gz JZBODSGZWSOULT-GWCFXTLKSA-N 2 2 319.396 3.031 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647280943 435998031 /nfs/dbraw/zinc/99/80/31/435998031.db2.gz OIOANTAISQSXIM-CVEARBPZSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647280943 435998037 /nfs/dbraw/zinc/99/80/37/435998037.db2.gz OIOANTAISQSXIM-CVEARBPZSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650716160 436003306 /nfs/dbraw/zinc/00/33/06/436003306.db2.gz TZOXUFCGNMSTSE-PBEJRMEISA-N 2 2 321.468 3.133 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650716160 436003310 /nfs/dbraw/zinc/00/33/10/436003310.db2.gz TZOXUFCGNMSTSE-PBEJRMEISA-N 2 2 321.468 3.133 20 0 DGADLP CC(C)(C)c1nc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cs1 ZINC000650718759 436004494 /nfs/dbraw/zinc/00/44/94/436004494.db2.gz WMJAEYCWYLEUSC-UHFFFAOYSA-N 2 2 307.438 3.328 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC(F)(F)CC3)[nH+]c2)C1 ZINC000647297507 436005927 /nfs/dbraw/zinc/00/59/27/436005927.db2.gz HTOPKDBGLQQGMX-HNNXBMFYSA-N 2 2 324.419 3.212 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000650720202 436006601 /nfs/dbraw/zinc/00/66/01/436006601.db2.gz HZQKQSYQVGLAKD-UHFFFAOYSA-N 2 2 315.364 3.171 20 0 DGADLP COc1ccc([C@H](CC(C)C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000647306928 436009796 /nfs/dbraw/zinc/00/97/96/436009796.db2.gz MQYKSPJINOAZJK-SFHVURJKSA-N 2 2 301.434 3.348 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000656702672 436012104 /nfs/dbraw/zinc/01/21/04/436012104.db2.gz RBBUXVMXZLSJIM-OAHLLOKOSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000656702672 436012108 /nfs/dbraw/zinc/01/21/08/436012108.db2.gz RBBUXVMXZLSJIM-OAHLLOKOSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(F)F ZINC000647318697 436012958 /nfs/dbraw/zinc/01/29/58/436012958.db2.gz XQIVXVBZIZYUGN-OFQRWUPVSA-N 2 2 311.420 3.173 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(F)F ZINC000647318697 436012961 /nfs/dbraw/zinc/01/29/61/436012961.db2.gz XQIVXVBZIZYUGN-OFQRWUPVSA-N 2 2 311.420 3.173 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700637 436014387 /nfs/dbraw/zinc/01/43/87/436014387.db2.gz QUEBPWSBDUALDS-MOPGFXCFSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700637 436014390 /nfs/dbraw/zinc/01/43/90/436014390.db2.gz QUEBPWSBDUALDS-MOPGFXCFSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700637 436014395 /nfs/dbraw/zinc/01/43/95/436014395.db2.gz QUEBPWSBDUALDS-MOPGFXCFSA-N 2 2 314.473 3.081 20 0 DGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000656700637 436014398 /nfs/dbraw/zinc/01/43/98/436014398.db2.gz QUEBPWSBDUALDS-MOPGFXCFSA-N 2 2 314.473 3.081 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000650757825 436021871 /nfs/dbraw/zinc/02/18/71/436021871.db2.gz BPFBPVVOGFLBIB-INIZCTEOSA-N 3 2 320.440 3.443 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000650757826 436022061 /nfs/dbraw/zinc/02/20/61/436022061.db2.gz BPFBPVVOGFLBIB-MRXNPFEDSA-N 3 2 320.440 3.443 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365020 436032610 /nfs/dbraw/zinc/03/26/10/436032610.db2.gz WVZCEFHFKRSLOF-HNNXBMFYSA-N 2 2 323.440 3.415 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c[nH+]1 ZINC000656782728 436041838 /nfs/dbraw/zinc/04/18/38/436041838.db2.gz IZZVNHUYEBAIRC-LJQANCHMSA-N 3 2 301.478 3.034 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c[nH+]1 ZINC000656782728 436041845 /nfs/dbraw/zinc/04/18/45/436041845.db2.gz IZZVNHUYEBAIRC-LJQANCHMSA-N 3 2 301.478 3.034 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CC2([NH3+])CCCC2)s1 ZINC000656789795 436047853 /nfs/dbraw/zinc/04/78/53/436047853.db2.gz YVKFFJMNMSYLEC-UHFFFAOYSA-N 2 2 303.269 3.180 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCCC1 ZINC000656789758 436048010 /nfs/dbraw/zinc/04/80/10/436048010.db2.gz XJNLBBBIANCNBA-UHFFFAOYSA-N 2 2 307.869 3.301 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@@H]3CCOc4ccccc43)cn21 ZINC000647262509 435995767 /nfs/dbraw/zinc/99/57/67/435995767.db2.gz BEHLZUBGGYCRAU-INIZCTEOSA-N 2 2 321.424 3.341 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479375 436060725 /nfs/dbraw/zinc/06/07/25/436060725.db2.gz DPHDFXBTYDNADQ-MJGOQNOKSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479375 436060729 /nfs/dbraw/zinc/06/07/29/436060729.db2.gz DPHDFXBTYDNADQ-MJGOQNOKSA-N 2 2 324.472 3.145 20 0 DGADLP FC(F)(F)c1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479599 436061372 /nfs/dbraw/zinc/06/13/72/436061372.db2.gz MNNPACDBHVJSKR-GXTWGEPZSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479599 436061379 /nfs/dbraw/zinc/06/13/79/436061379.db2.gz MNNPACDBHVJSKR-GXTWGEPZSA-N 2 2 313.367 3.064 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647501240 436067903 /nfs/dbraw/zinc/06/79/03/436067903.db2.gz JKYOWLXKPYVWGP-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647501240 436067906 /nfs/dbraw/zinc/06/79/06/436067906.db2.gz JKYOWLXKPYVWGP-GOSISDBHSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647501241 436069177 /nfs/dbraw/zinc/06/91/77/436069177.db2.gz JKYOWLXKPYVWGP-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000647501241 436069183 /nfs/dbraw/zinc/06/91/83/436069183.db2.gz JKYOWLXKPYVWGP-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]CCC[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccccc1 ZINC000647535301 436075159 /nfs/dbraw/zinc/07/51/59/436075159.db2.gz JENFTTUIHMRTSL-UHFFFAOYSA-N 2 2 315.486 3.373 20 0 DGADLP [NH3+]CCC[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccccc1 ZINC000647535301 436075163 /nfs/dbraw/zinc/07/51/63/436075163.db2.gz JENFTTUIHMRTSL-UHFFFAOYSA-N 2 2 315.486 3.373 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647548541 436080307 /nfs/dbraw/zinc/08/03/07/436080307.db2.gz HBIKDSLKOSZXGQ-NVXWUHKLSA-N 2 2 312.461 3.083 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1OC ZINC000647545205 436081216 /nfs/dbraw/zinc/08/12/16/436081216.db2.gz FZVYZFCMQYYEHU-CQSZACIVSA-N 2 2 306.450 3.186 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1OC ZINC000647545205 436081220 /nfs/dbraw/zinc/08/12/20/436081220.db2.gz FZVYZFCMQYYEHU-CQSZACIVSA-N 2 2 306.450 3.186 20 0 DGADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000647548814 436081293 /nfs/dbraw/zinc/08/12/93/436081293.db2.gz VMRZSWSSJHEOFJ-YLJYHZDGSA-N 3 2 315.505 3.150 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000647551122 436083544 /nfs/dbraw/zinc/08/35/44/436083544.db2.gz YQNGHKGULRYPIW-BBRMVZONSA-N 2 2 315.392 3.101 20 0 DGADLP Brc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554368 436085796 /nfs/dbraw/zinc/08/57/96/436085796.db2.gz XVMDWEIDNJDZMM-CQSZACIVSA-N 2 2 309.251 3.213 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC[C@@H]1[NH3+] ZINC000647938406 436154100 /nfs/dbraw/zinc/15/41/00/436154100.db2.gz MHDIUZZHXHDPLF-LZWOXQAQSA-N 2 2 314.433 3.165 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC[C@@H]1[NH3+] ZINC000647938406 436154104 /nfs/dbraw/zinc/15/41/04/436154104.db2.gz MHDIUZZHXHDPLF-LZWOXQAQSA-N 2 2 314.433 3.165 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647815251 436128302 /nfs/dbraw/zinc/12/83/02/436128302.db2.gz VZEJWOSLZCBCEX-UHFFFAOYSA-N 2 2 319.396 3.187 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647815251 436128304 /nfs/dbraw/zinc/12/83/04/436128304.db2.gz VZEJWOSLZCBCEX-UHFFFAOYSA-N 2 2 319.396 3.187 20 0 DGADLP Fc1ccc(-c2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)on2)cc1 ZINC000647815037 436128351 /nfs/dbraw/zinc/12/83/51/436128351.db2.gz MKUJNMUOICDKHL-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Fc1ccc(-c2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)on2)cc1 ZINC000647815037 436128354 /nfs/dbraw/zinc/12/83/54/436128354.db2.gz MKUJNMUOICDKHL-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Fc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1OC1CC1 ZINC000657314390 436131528 /nfs/dbraw/zinc/13/15/28/436131528.db2.gz UHYBODYTPFKLIR-GJZGRUSLSA-N 2 2 304.409 3.083 20 0 DGADLP Fc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1OC1CC1 ZINC000657314390 436131532 /nfs/dbraw/zinc/13/15/32/436131532.db2.gz UHYBODYTPFKLIR-GJZGRUSLSA-N 2 2 304.409 3.083 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1F ZINC000661658180 436138342 /nfs/dbraw/zinc/13/83/42/436138342.db2.gz AVKYFELBEOCHBQ-INIZCTEOSA-N 2 2 303.381 3.176 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1F ZINC000661658180 436138347 /nfs/dbraw/zinc/13/83/47/436138347.db2.gz AVKYFELBEOCHBQ-INIZCTEOSA-N 2 2 303.381 3.176 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1F ZINC000661658962 436140208 /nfs/dbraw/zinc/14/02/08/436140208.db2.gz NIMMIGBJRHHCJU-MRXNPFEDSA-N 2 2 303.381 3.258 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1F ZINC000661658962 436140215 /nfs/dbraw/zinc/14/02/15/436140215.db2.gz NIMMIGBJRHHCJU-MRXNPFEDSA-N 2 2 303.381 3.258 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000647911696 436146566 /nfs/dbraw/zinc/14/65/66/436146566.db2.gz HBMXWDPSRUBXRY-YJBOKZPZSA-N 2 2 319.518 3.482 20 0 DGADLP CCn1ccnc1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000651238832 436146944 /nfs/dbraw/zinc/14/69/44/436146944.db2.gz HOKMPXMQMBAVKA-NVXWUHKLSA-N 2 2 323.444 3.271 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911001 436148137 /nfs/dbraw/zinc/14/81/37/436148137.db2.gz NOJBKGVRKXRHIL-ZDUSSCGKSA-N 2 2 319.399 3.287 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911001 436148143 /nfs/dbraw/zinc/14/81/43/436148143.db2.gz NOJBKGVRKXRHIL-ZDUSSCGKSA-N 2 2 319.399 3.287 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911001 436148150 /nfs/dbraw/zinc/14/81/50/436148150.db2.gz NOJBKGVRKXRHIL-ZDUSSCGKSA-N 2 2 319.399 3.287 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647911001 436148154 /nfs/dbraw/zinc/14/81/54/436148154.db2.gz NOJBKGVRKXRHIL-ZDUSSCGKSA-N 2 2 319.399 3.287 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000647926804 436152807 /nfs/dbraw/zinc/15/28/07/436152807.db2.gz NCAWQGORMCWXIB-UHFFFAOYSA-N 2 2 305.809 3.308 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653115698 436114034 /nfs/dbraw/zinc/11/40/34/436114034.db2.gz XLHBEGRWCYFDPI-ZBFHGGJFSA-N 2 2 324.428 3.300 20 0 DGADLP Fc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1OC(F)F ZINC000657295381 436119035 /nfs/dbraw/zinc/11/90/35/436119035.db2.gz ORNKYKCEFWZEOL-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657294958 436119279 /nfs/dbraw/zinc/11/92/79/436119279.db2.gz YEICYGGQFWZEEH-UHFFFAOYSA-N 2 2 306.425 3.331 20 0 DGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCS2 ZINC000657296624 436121248 /nfs/dbraw/zinc/12/12/48/436121248.db2.gz IXOBNDYOKOVJQX-AWEZNQCLSA-N 2 2 303.406 3.295 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657365197 436160031 /nfs/dbraw/zinc/16/00/31/436160031.db2.gz GITYCRGPEZWHCC-INIZCTEOSA-N 2 2 324.472 3.145 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000647938936 436154871 /nfs/dbraw/zinc/15/48/71/436154871.db2.gz XFRXHHZFOHNKFE-NFAWXSAZSA-N 2 2 323.868 3.035 20 0 DGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC[C@@H]1[NH3+] ZINC000647938936 436154873 /nfs/dbraw/zinc/15/48/73/436154873.db2.gz XFRXHHZFOHNKFE-NFAWXSAZSA-N 2 2 323.868 3.035 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968003 436165958 /nfs/dbraw/zinc/16/59/58/436165958.db2.gz INAVYZDMIVWCHX-QFBILLFUSA-N 2 2 315.461 3.008 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968003 436165961 /nfs/dbraw/zinc/16/59/61/436165961.db2.gz INAVYZDMIVWCHX-QFBILLFUSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968003 436165966 /nfs/dbraw/zinc/16/59/66/436165966.db2.gz INAVYZDMIVWCHX-QFBILLFUSA-N 2 2 315.461 3.008 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968003 436165972 /nfs/dbraw/zinc/16/59/72/436165972.db2.gz INAVYZDMIVWCHX-QFBILLFUSA-N 2 2 315.461 3.008 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)co1 ZINC000651298231 436162447 /nfs/dbraw/zinc/16/24/47/436162447.db2.gz RZPRSROBUVQYHU-CEXWTWQISA-N 2 2 311.429 3.207 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)co1 ZINC000651298231 436162451 /nfs/dbraw/zinc/16/24/51/436162451.db2.gz RZPRSROBUVQYHU-CEXWTWQISA-N 2 2 311.429 3.207 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968594 436163635 /nfs/dbraw/zinc/16/36/35/436163635.db2.gz MFPJWTSLXDXPDW-HNNXBMFYSA-N 2 2 310.441 3.001 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1c2ccccc2-c2ccccc21 ZINC000647968594 436163638 /nfs/dbraw/zinc/16/36/38/436163638.db2.gz MFPJWTSLXDXPDW-HNNXBMFYSA-N 2 2 310.441 3.001 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968594 436163645 /nfs/dbraw/zinc/16/36/45/436163645.db2.gz MFPJWTSLXDXPDW-HNNXBMFYSA-N 2 2 310.441 3.001 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000647968594 436163647 /nfs/dbraw/zinc/16/36/47/436163647.db2.gz MFPJWTSLXDXPDW-HNNXBMFYSA-N 2 2 310.441 3.001 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000455488193 301187600 /nfs/dbraw/zinc/18/76/00/301187600.db2.gz UHKNDAQCKQVNMD-CABCVRRESA-N 2 2 318.465 3.391 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000455488193 301187603 /nfs/dbraw/zinc/18/76/03/301187603.db2.gz UHKNDAQCKQVNMD-CABCVRRESA-N 2 2 318.465 3.391 20 0 DGADLP COCC[C@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194282 436169544 /nfs/dbraw/zinc/16/95/44/436169544.db2.gz SKJWEASFZRRITH-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000666194282 436169550 /nfs/dbraw/zinc/16/95/50/436169550.db2.gz SKJWEASFZRRITH-FUHWJXTLSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301082277 301338280 /nfs/dbraw/zinc/33/82/80/301338280.db2.gz ODTMLEMLRPCVAY-QGZVFWFLSA-N 2 2 310.445 3.402 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301082277 301338286 /nfs/dbraw/zinc/33/82/86/301338286.db2.gz ODTMLEMLRPCVAY-QGZVFWFLSA-N 2 2 310.445 3.402 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OCC ZINC000657525651 436233729 /nfs/dbraw/zinc/23/37/29/436233729.db2.gz UUOMECZOWBONTM-INIZCTEOSA-N 2 2 320.477 3.446 20 0 DGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OCC ZINC000657525651 436233732 /nfs/dbraw/zinc/23/37/32/436233732.db2.gz UUOMECZOWBONTM-INIZCTEOSA-N 2 2 320.477 3.446 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000657526597 436234558 /nfs/dbraw/zinc/23/45/58/436234558.db2.gz JMGFHNOEFRDNCD-AWEZNQCLSA-N 2 2 304.463 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000657526597 436234560 /nfs/dbraw/zinc/23/45/60/436234560.db2.gz JMGFHNOEFRDNCD-AWEZNQCLSA-N 2 2 304.463 3.101 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523123 436235683 /nfs/dbraw/zinc/23/56/83/436235683.db2.gz DNCFQHKQLCUZNG-NEWSRXKRSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000657523123 436235686 /nfs/dbraw/zinc/23/56/86/436235686.db2.gz DNCFQHKQLCUZNG-NEWSRXKRSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657523123 436235689 /nfs/dbraw/zinc/23/56/89/436235689.db2.gz DNCFQHKQLCUZNG-NEWSRXKRSA-N 2 2 315.505 3.284 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657523123 436235693 /nfs/dbraw/zinc/23/56/93/436235693.db2.gz DNCFQHKQLCUZNG-NEWSRXKRSA-N 2 2 315.505 3.284 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C2CCCCC2)n1 ZINC000657524361 436235921 /nfs/dbraw/zinc/23/59/21/436235921.db2.gz KOVVOPWBIYYIQT-KRWDZBQOSA-N 2 2 318.509 3.430 20 0 DGADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C2CCCCC2)n1 ZINC000657524361 436235923 /nfs/dbraw/zinc/23/59/23/436235923.db2.gz KOVVOPWBIYYIQT-KRWDZBQOSA-N 2 2 318.509 3.430 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)CC3 ZINC000657428890 436196074 /nfs/dbraw/zinc/19/60/74/436196074.db2.gz CQPIODDQVUGOQH-CQSZACIVSA-N 2 2 320.440 3.266 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000657469054 436214118 /nfs/dbraw/zinc/21/41/18/436214118.db2.gz DTTITYKFFJVUCU-SFHVURJKSA-N 2 2 312.461 3.110 20 0 DGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000657469054 436214121 /nfs/dbraw/zinc/21/41/21/436214121.db2.gz DTTITYKFFJVUCU-SFHVURJKSA-N 2 2 312.461 3.110 20 0 DGADLP Fc1cccc(F)c1C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657492893 436226963 /nfs/dbraw/zinc/22/69/63/436226963.db2.gz OZEUOVRKPSMHSG-UHFFFAOYSA-N 2 2 317.383 3.319 20 0 DGADLP Clc1ccc(-c2nc(C[NH2+]C[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000666845001 436292565 /nfs/dbraw/zinc/29/25/65/436292565.db2.gz VFEULKMBXGGAIZ-LLVKDONJSA-N 2 2 307.850 3.163 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](c3ccccc3)[C@@H](O)C(C)C)n2c1 ZINC000657744471 436293589 /nfs/dbraw/zinc/29/35/89/436293589.db2.gz FQHIEAXWMNBBBO-PMACEKPBSA-N 2 2 323.440 3.491 20 0 DGADLP CC[C@@H](COCC1CC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657561521 436244837 /nfs/dbraw/zinc/24/48/37/436244837.db2.gz IVJFGELPKKIQAE-AWEZNQCLSA-N 2 2 305.447 3.229 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657588383 436254664 /nfs/dbraw/zinc/25/46/64/436254664.db2.gz PMHAUEPANJPXDK-YLJYHZDGSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657588383 436254668 /nfs/dbraw/zinc/25/46/68/436254668.db2.gz PMHAUEPANJPXDK-YLJYHZDGSA-N 2 2 309.457 3.358 20 0 DGADLP c1cn(CCC[NH+]2CCC3(CCc4ccccc4O3)CC2)c[nH+]1 ZINC000662050060 436259572 /nfs/dbraw/zinc/25/95/72/436259572.db2.gz OFBGSDVYKYEWJN-UHFFFAOYSA-N 2 2 311.429 3.133 20 0 DGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000666702018 436268876 /nfs/dbraw/zinc/26/88/76/436268876.db2.gz YPGZTKKKGONMKK-MRXNPFEDSA-N 2 2 308.441 3.180 20 0 DGADLP c1ccc(N2CC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678677 436277532 /nfs/dbraw/zinc/27/75/32/436277532.db2.gz UBXOLBWAWNDRGB-MSOLQXFVSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CC[C@@H]([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678677 436277535 /nfs/dbraw/zinc/27/75/35/436277535.db2.gz UBXOLBWAWNDRGB-MSOLQXFVSA-N 2 2 313.489 3.262 20 0 DGADLP CCCOc1c(C[NH2+]C[C@@H]2CCCC[NH2+]2)cccc1OCC ZINC000666766904 436277486 /nfs/dbraw/zinc/27/74/86/436277486.db2.gz IQOCNRPNWLJYFQ-INIZCTEOSA-N 2 2 306.450 3.106 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000657693872 436279981 /nfs/dbraw/zinc/27/99/81/436279981.db2.gz ULLOBMHFPUJDKT-IRXDYDNUSA-N 2 2 302.462 3.263 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H](CO)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000657699123 436282177 /nfs/dbraw/zinc/28/21/77/436282177.db2.gz AEANUPZPPHOWMN-RTBURBONSA-N 2 2 316.489 3.038 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@H](CO)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000657699123 436282179 /nfs/dbraw/zinc/28/21/79/436282179.db2.gz AEANUPZPPHOWMN-RTBURBONSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666879678 436299122 /nfs/dbraw/zinc/29/91/22/436299122.db2.gz XCUIZRBTSCLEOM-SKDRFNHKSA-N 2 2 304.768 3.029 20 0 DGADLP c1nc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)co1 ZINC000657773579 436300975 /nfs/dbraw/zinc/30/09/75/436300975.db2.gz SJQCSQJFZQHXEN-QGZVFWFLSA-N 2 2 311.429 3.067 20 0 DGADLP c1nc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)co1 ZINC000657773579 436300980 /nfs/dbraw/zinc/30/09/80/436300980.db2.gz SJQCSQJFZQHXEN-QGZVFWFLSA-N 2 2 311.429 3.067 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000657784466 436303349 /nfs/dbraw/zinc/30/33/49/436303349.db2.gz BZYUGRRSKJDHAH-NJAFHUGGSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000657784466 436303352 /nfs/dbraw/zinc/30/33/52/436303352.db2.gz BZYUGRRSKJDHAH-NJAFHUGGSA-N 2 2 302.462 3.054 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662232581 436306856 /nfs/dbraw/zinc/30/68/56/436306856.db2.gz BDJINSUFTRBQNF-JSGCOSHPSA-N 2 2 319.371 3.013 20 0 DGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662232581 436306859 /nfs/dbraw/zinc/30/68/59/436306859.db2.gz BDJINSUFTRBQNF-JSGCOSHPSA-N 2 2 319.371 3.013 20 0 DGADLP CCC[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000662255406 436312650 /nfs/dbraw/zinc/31/26/50/436312650.db2.gz YIQLWFCAPDKITR-GOEBONIOSA-N 2 2 302.418 3.194 20 0 DGADLP CCC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H](C)c1cc2ccccc2o1 ZINC000662255406 436312654 /nfs/dbraw/zinc/31/26/54/436312654.db2.gz YIQLWFCAPDKITR-GOEBONIOSA-N 2 2 302.418 3.194 20 0 DGADLP COC1([C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000657817457 436315646 /nfs/dbraw/zinc/31/56/46/436315646.db2.gz OIPJGELLNVJKES-FUHWJXTLSA-N 2 2 302.462 3.371 20 0 DGADLP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265049 436316028 /nfs/dbraw/zinc/31/60/28/436316028.db2.gz MSHFCTDANMQNJV-UKRRQHHQSA-N 2 2 308.853 3.313 20 0 DGADLP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000662265049 436316031 /nfs/dbraw/zinc/31/60/31/436316031.db2.gz MSHFCTDANMQNJV-UKRRQHHQSA-N 2 2 308.853 3.313 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000666965390 436317614 /nfs/dbraw/zinc/31/76/14/436317614.db2.gz DVNMNRZAEWTAEK-GUYCJALGSA-N 2 2 306.450 3.103 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)c[nH+]1 ZINC000657830842 436319750 /nfs/dbraw/zinc/31/97/50/436319750.db2.gz PLTQXZKHQPNMOG-QGZVFWFLSA-N 2 2 301.459 3.307 20 0 DGADLP c1cc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657832829 436321429 /nfs/dbraw/zinc/32/14/29/436321429.db2.gz GPWANCBWWQLHDK-LJQANCHMSA-N 2 2 324.472 3.015 20 0 DGADLP Brc1ccsc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996720 436321938 /nfs/dbraw/zinc/32/19/38/436321938.db2.gz BFGZXHYMJWESMZ-SNVBAGLBSA-N 2 2 315.280 3.275 20 0 DGADLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000657842395 436323084 /nfs/dbraw/zinc/32/30/84/436323084.db2.gz BIOQUYQGZGQHMI-OAHLLOKOSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000662280908 436323403 /nfs/dbraw/zinc/32/34/03/436323403.db2.gz HFPUQEHFGKGDBN-BYCMXARLSA-N 2 2 300.368 3.234 20 0 DGADLP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000662280908 436323405 /nfs/dbraw/zinc/32/34/05/436323405.db2.gz HFPUQEHFGKGDBN-BYCMXARLSA-N 2 2 300.368 3.234 20 0 DGADLP [NH3+][C@H]1CCc2ccccc2N(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000662302498 436325576 /nfs/dbraw/zinc/32/55/76/436325576.db2.gz OAHQCODAMJCMIR-SFHVURJKSA-N 2 2 318.424 3.152 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2CCCSCC2)ccc1-n1cc[nH+]c1 ZINC000657851101 436326298 /nfs/dbraw/zinc/32/62/98/436326298.db2.gz LVXLYOJJPNTTMD-CQSZACIVSA-N 2 2 305.422 3.387 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320486 436330746 /nfs/dbraw/zinc/33/07/46/436330746.db2.gz BTDXHQIPWLPQIF-YOEHRIQHSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320486 436330750 /nfs/dbraw/zinc/33/07/50/436330750.db2.gz BTDXHQIPWLPQIF-YOEHRIQHSA-N 2 2 310.869 3.444 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323905 436332053 /nfs/dbraw/zinc/33/20/53/436332053.db2.gz UFMNCIJKLLXYNZ-HIFRSBDPSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323905 436332057 /nfs/dbraw/zinc/33/20/57/436332057.db2.gz UFMNCIJKLLXYNZ-HIFRSBDPSA-N 2 2 312.404 3.068 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657894729 436334795 /nfs/dbraw/zinc/33/47/95/436334795.db2.gz BCTBXLHGLPPYLR-IAGOWNOFSA-N 2 2 311.429 3.005 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897558 436335699 /nfs/dbraw/zinc/33/56/99/436335699.db2.gz VBZRYBDJISBPFJ-WMLDXEAASA-N 2 2 307.401 3.255 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658058345 436361090 /nfs/dbraw/zinc/36/10/90/436361090.db2.gz RWPRKRRWMDBBHX-SUMWQHHRSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658058345 436361092 /nfs/dbraw/zinc/36/10/92/436361092.db2.gz RWPRKRRWMDBBHX-SUMWQHHRSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658058339 436361099 /nfs/dbraw/zinc/36/10/99/436361099.db2.gz RWPRKRRWMDBBHX-CXAGYDPISA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658058339 436361101 /nfs/dbraw/zinc/36/11/01/436361101.db2.gz RWPRKRRWMDBBHX-CXAGYDPISA-N 2 2 303.450 3.168 20 0 DGADLP c1ccc(N2CCC([NH2+]CCc3noc4ccccc34)CC2)[nH+]c1 ZINC000658066454 436363008 /nfs/dbraw/zinc/36/30/08/436363008.db2.gz LRCKCHLPPSTASJ-UHFFFAOYSA-N 2 2 322.412 3.024 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658060152 436363826 /nfs/dbraw/zinc/36/38/26/436363826.db2.gz JVQLBITVAIZMES-HOCLYGCPSA-N 2 2 318.461 3.154 20 0 DGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658060152 436363829 /nfs/dbraw/zinc/36/38/29/436363829.db2.gz JVQLBITVAIZMES-HOCLYGCPSA-N 2 2 318.461 3.154 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060833 436363890 /nfs/dbraw/zinc/36/38/90/436363890.db2.gz NCLZOJZBNIGKOZ-YPMHNXCESA-N 2 2 303.406 3.057 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000658060833 436363892 /nfs/dbraw/zinc/36/38/92/436363892.db2.gz NCLZOJZBNIGKOZ-YPMHNXCESA-N 2 2 303.406 3.057 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090207 436372403 /nfs/dbraw/zinc/37/24/03/436372403.db2.gz FMANPDWYNCIKCM-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090207 436372405 /nfs/dbraw/zinc/37/24/05/436372405.db2.gz FMANPDWYNCIKCM-BBRMVZONSA-N 2 2 321.440 3.005 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094380 436374250 /nfs/dbraw/zinc/37/42/50/436374250.db2.gz YQVOYZFMJUWPNA-ROUUACIJSA-N 2 2 322.468 3.236 20 0 DGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094380 436374255 /nfs/dbraw/zinc/37/42/55/436374255.db2.gz YQVOYZFMJUWPNA-ROUUACIJSA-N 2 2 322.468 3.236 20 0 DGADLP CO[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000658330871 436432303 /nfs/dbraw/zinc/43/23/03/436432303.db2.gz VNBZQDFIVDIULI-GOSISDBHSA-N 2 2 317.477 3.235 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1F ZINC000663344906 436443052 /nfs/dbraw/zinc/44/30/52/436443052.db2.gz YSYTUCQAWHEZOG-ZDUSSCGKSA-N 2 2 312.379 3.316 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1F ZINC000663344906 436443054 /nfs/dbraw/zinc/44/30/54/436443054.db2.gz YSYTUCQAWHEZOG-ZDUSSCGKSA-N 2 2 312.379 3.316 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCc1ccccc1-2 ZINC000663352616 436444214 /nfs/dbraw/zinc/44/42/14/436444214.db2.gz VGFDKRGJWQKQSL-KURKYZTESA-N 2 2 322.456 3.076 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCc1ccccc1-2 ZINC000663352616 436444217 /nfs/dbraw/zinc/44/42/17/436444217.db2.gz VGFDKRGJWQKQSL-KURKYZTESA-N 2 2 322.456 3.076 20 0 DGADLP CCn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000663467886 436465832 /nfs/dbraw/zinc/46/58/32/436465832.db2.gz PHZBRBQAESFSRK-YJBOKZPZSA-N 2 2 304.482 3.036 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286275 436419627 /nfs/dbraw/zinc/41/96/27/436419627.db2.gz QVHMMSPBDXRSKV-WMLDXEAASA-N 2 2 317.433 3.304 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000658286275 436419630 /nfs/dbraw/zinc/41/96/30/436419630.db2.gz QVHMMSPBDXRSKV-WMLDXEAASA-N 2 2 317.433 3.304 20 0 DGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)o1 ZINC000658294866 436420342 /nfs/dbraw/zinc/42/03/42/436420342.db2.gz PRKSSYXDFBCVAR-PKOBYXMFSA-N 2 2 318.461 3.272 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000658292221 436420356 /nfs/dbraw/zinc/42/03/56/436420356.db2.gz RSTIMWCYVTWHCT-DZGCQCFKSA-N 2 2 308.491 3.214 20 0 DGADLP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658293336 436420716 /nfs/dbraw/zinc/42/07/16/436420716.db2.gz FSEXIDGNYHUSJI-NVXWUHKLSA-N 2 2 318.461 3.136 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292705 436420847 /nfs/dbraw/zinc/42/08/47/436420847.db2.gz AAKIFAFMNFRPGJ-SUMDDJOVSA-N 2 2 314.473 3.386 20 0 DGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292706 436420963 /nfs/dbraw/zinc/42/09/63/436420963.db2.gz AAKIFAFMNFRPGJ-SZVBFZGTSA-N 2 2 314.473 3.386 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C)c1 ZINC000658295385 436421205 /nfs/dbraw/zinc/42/12/05/436421205.db2.gz MJFYMLRHQCCDFR-MOPGFXCFSA-N 2 2 302.462 3.289 20 0 DGADLP CCCOc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)c(OCCC)c1 ZINC000663501975 436471141 /nfs/dbraw/zinc/47/11/41/436471141.db2.gz MFAALFFZOUOQCI-UHFFFAOYSA-N 2 2 318.461 3.106 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000663508659 436472037 /nfs/dbraw/zinc/47/20/37/436472037.db2.gz RHHJWQRNGMRQJH-CQSZACIVSA-N 2 2 302.393 3.102 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000663510057 436473015 /nfs/dbraw/zinc/47/30/15/436473015.db2.gz OLFXEAXSKGDQRB-GFCCVEGCSA-N 2 2 306.356 3.455 20 0 DGADLP Cc1ccc([C@H](CNc2cc(CO)cc(C)[nH+]2)[NH+]2CCCC2)o1 ZINC000663522700 436474648 /nfs/dbraw/zinc/47/46/48/436474648.db2.gz CENCHMIOHYLORU-INIZCTEOSA-N 2 2 315.417 3.033 20 0 DGADLP Cc1cc(CO)cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[nH+]1 ZINC000663910320 436526420 /nfs/dbraw/zinc/52/64/20/436526420.db2.gz UCXLPBFXKPHOHI-DNVCBOLYSA-N 2 2 313.445 3.294 20 0 DGADLP Cc1cc(CO)cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[nH+]1 ZINC000663910319 436526605 /nfs/dbraw/zinc/52/66/05/436526605.db2.gz UCXLPBFXKPHOHI-BEFAXECRSA-N 2 2 313.445 3.294 20 0 DGADLP C[NH+](C)C1CCC2(CC1)CCN(c1cc[nH+]c(C3CC3)n1)CC2 ZINC000663945017 436530963 /nfs/dbraw/zinc/53/09/63/436530963.db2.gz HRDYSMSEHMZKBU-UHFFFAOYSA-N 2 2 314.477 3.445 20 0 DGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655448762 436549872 /nfs/dbraw/zinc/54/98/72/436549872.db2.gz VNQLYUZWVVVWFF-HKUYNNGSSA-N 2 2 323.396 3.202 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](CCc3nsc4ccccc43)C2)c[nH+]1 ZINC000659883401 436554443 /nfs/dbraw/zinc/55/44/43/436554443.db2.gz SLYGHNUIGVPBGI-CQSZACIVSA-N 2 2 312.442 3.372 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](CCc3nsc4ccccc43)C2)c[nH+]1 ZINC000659883401 436554446 /nfs/dbraw/zinc/55/44/46/436554446.db2.gz SLYGHNUIGVPBGI-CQSZACIVSA-N 2 2 312.442 3.372 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1 ZINC000659896307 436556187 /nfs/dbraw/zinc/55/61/87/436556187.db2.gz LSXYDRCVYLQSHF-MRXNPFEDSA-N 2 2 304.478 3.087 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)c1 ZINC000659896307 436556188 /nfs/dbraw/zinc/55/61/88/436556188.db2.gz LSXYDRCVYLQSHF-MRXNPFEDSA-N 2 2 304.478 3.087 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000655689080 436575767 /nfs/dbraw/zinc/57/57/67/436575767.db2.gz WQXSFGQLOOQAMM-CABCVRRESA-N 2 2 314.564 3.222 20 0 DGADLP COc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1Cl ZINC000660095285 436587968 /nfs/dbraw/zinc/58/79/68/436587968.db2.gz NOVZCDDDJQKFKM-UHFFFAOYSA-N 2 2 305.809 3.451 20 0 DGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000660107987 436588941 /nfs/dbraw/zinc/58/89/41/436588941.db2.gz MZOGEQSMNYZVFV-LJQANCHMSA-N 2 2 320.452 3.006 20 0 DGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000660107987 436588945 /nfs/dbraw/zinc/58/89/45/436588945.db2.gz MZOGEQSMNYZVFV-LJQANCHMSA-N 2 2 320.452 3.006 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179817326 302387621 /nfs/dbraw/zinc/38/76/21/302387621.db2.gz MVIMZQWFZQSBOL-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179817326 302387622 /nfs/dbraw/zinc/38/76/22/302387622.db2.gz MVIMZQWFZQSBOL-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP CC1([NH+]2CCOCC2)CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000528730893 313068233 /nfs/dbraw/zinc/06/82/33/313068233.db2.gz VKZFSFBJIPGROG-WEVVVXLNSA-N 2 2 314.473 3.277 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000529642176 313245494 /nfs/dbraw/zinc/24/54/94/313245494.db2.gz MXRMLIGNYNRIOR-UHFFFAOYSA-N 2 2 324.472 3.468 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000529642176 313245497 /nfs/dbraw/zinc/24/54/97/313245497.db2.gz MXRMLIGNYNRIOR-UHFFFAOYSA-N 2 2 324.472 3.468 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cccnc1C(F)(F)F)C1CCCCC1 ZINC000530226536 313342902 /nfs/dbraw/zinc/34/29/02/313342902.db2.gz RRWQTIRBHAVCJA-ZDUSSCGKSA-N 2 2 301.356 3.098 20 0 DGADLP CC[C@@H]1CCC[C@@H]1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558015 313868137 /nfs/dbraw/zinc/86/81/37/313868137.db2.gz OPZZHWOKEVWMDK-OIISXLGYSA-N 2 2 302.466 3.213 20 0 DGADLP CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539691103 313924366 /nfs/dbraw/zinc/92/43/66/313924366.db2.gz GLQLFTBUANIPFP-HUUCEWRRSA-N 2 2 304.482 3.459 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000541737103 314035368 /nfs/dbraw/zinc/03/53/68/314035368.db2.gz QVWDBAKAQGDAJL-KDOFPFPSSA-N 2 2 322.880 3.275 20 0 DGADLP COCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C)o1 ZINC000541846626 314041269 /nfs/dbraw/zinc/04/12/69/314041269.db2.gz UXEWTNVHBPMWQS-KRWDZBQOSA-N 2 2 306.450 3.130 20 0 DGADLP CC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592380 314143237 /nfs/dbraw/zinc/14/32/37/314143237.db2.gz STBJQXDYWBEVPE-AEFFLSMTSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592380 314143239 /nfs/dbraw/zinc/14/32/39/314143239.db2.gz STBJQXDYWBEVPE-AEFFLSMTSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000545310327 314243805 /nfs/dbraw/zinc/24/38/05/314243805.db2.gz KDTFLTZHMAIKLY-AYOQOUSVSA-N 2 2 304.478 3.473 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[NH+]2CCCCC2)cc1F ZINC000547013972 314340884 /nfs/dbraw/zinc/34/08/84/314340884.db2.gz MDFWSXSCOLHWPZ-JKSUJKDBSA-N 2 2 322.468 3.477 20 0 DGADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)oc21 ZINC000547654635 314384123 /nfs/dbraw/zinc/38/41/23/314384123.db2.gz OHHHVNNYGLLEPD-JSGCOSHPSA-N 2 2 311.385 3.304 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@@H](c3cccnc3)C1)CCCC2 ZINC000551569323 314566976 /nfs/dbraw/zinc/56/69/76/314566976.db2.gz OUZBTBIRTCZFRY-NVXWUHKLSA-N 2 2 310.445 3.430 20 0 DGADLP CC1=CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000556816638 314778243 /nfs/dbraw/zinc/77/82/43/314778243.db2.gz GBCKOZIIBMAQHB-IBGZPJMESA-N 2 2 313.489 3.287 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000563153340 315083732 /nfs/dbraw/zinc/08/37/32/315083732.db2.gz SXGHCZNENFADMP-NSHDSACASA-N 2 2 323.412 3.259 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000563153340 315083734 /nfs/dbraw/zinc/08/37/34/315083734.db2.gz SXGHCZNENFADMP-NSHDSACASA-N 2 2 323.412 3.259 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1F ZINC000563256965 315095736 /nfs/dbraw/zinc/09/57/36/315095736.db2.gz WDQSPXUWWDUSGB-UHFFFAOYSA-N 2 2 312.429 3.007 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1F ZINC000563256965 315095740 /nfs/dbraw/zinc/09/57/40/315095740.db2.gz WDQSPXUWWDUSGB-UHFFFAOYSA-N 2 2 312.429 3.007 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1nc(C(F)(F)F)cs1 ZINC000563442210 315116647 /nfs/dbraw/zinc/11/66/47/315116647.db2.gz YOWHHNOFYXAJOU-JTQLQIEISA-N 2 2 318.368 3.445 20 0 DGADLP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000563447649 315117102 /nfs/dbraw/zinc/11/71/02/315117102.db2.gz WSPLCRODLVSKLW-MRXNPFEDSA-N 2 2 324.453 3.115 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc2ccccc2c1 ZINC000563700812 315132515 /nfs/dbraw/zinc/13/25/15/315132515.db2.gz KDMTUJBMFULMBY-MOPGFXCFSA-N 2 2 310.441 3.388 20 0 DGADLP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000563830838 315141254 /nfs/dbraw/zinc/14/12/54/315141254.db2.gz SBZSGTVUQKCEPF-MRXNPFEDSA-N 2 2 324.896 3.159 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000564565807 315183067 /nfs/dbraw/zinc/18/30/67/315183067.db2.gz OSAUPCJIRZTOGV-LJQANCHMSA-N 2 2 310.441 3.426 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230945 315245160 /nfs/dbraw/zinc/24/51/60/315245160.db2.gz XTBAZNINIFXFJR-JFIYKMOQSA-N 2 2 318.461 3.090 20 0 DGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)o1 ZINC000565230945 315245162 /nfs/dbraw/zinc/24/51/62/315245162.db2.gz XTBAZNINIFXFJR-JFIYKMOQSA-N 2 2 318.461 3.090 20 0 DGADLP CCC(O)(CC)C(C)(C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000565241561 315246470 /nfs/dbraw/zinc/24/64/70/315246470.db2.gz GYIODEHIHHAWFH-UHFFFAOYSA-N 2 2 303.450 3.310 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566091035 315311402 /nfs/dbraw/zinc/31/14/02/315311402.db2.gz WAGBWUIHENXYAW-IRXDYDNUSA-N 2 2 303.450 3.153 20 0 DGADLP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(F)c1 ZINC000566336031 315335431 /nfs/dbraw/zinc/33/54/31/315335431.db2.gz OIYRESFJUQAHLJ-UHFFFAOYSA-N 2 2 303.381 3.211 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566473514 315350441 /nfs/dbraw/zinc/35/04/41/315350441.db2.gz CDVUHHLDVXZHPP-IEZWGBDMSA-N 2 2 324.472 3.489 20 0 DGADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566473514 315350444 /nfs/dbraw/zinc/35/04/44/315350444.db2.gz CDVUHHLDVXZHPP-IEZWGBDMSA-N 2 2 324.472 3.489 20 0 DGADLP Clc1csc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000566487155 315352389 /nfs/dbraw/zinc/35/23/89/315352389.db2.gz OVQVUKIQKGEAFX-AWEZNQCLSA-N 2 2 314.882 3.088 20 0 DGADLP Clc1csc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000566487155 315352392 /nfs/dbraw/zinc/35/23/92/315352392.db2.gz OVQVUKIQKGEAFX-AWEZNQCLSA-N 2 2 314.882 3.088 20 0 DGADLP Cc1[nH+]cc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1C ZINC000566498688 315353557 /nfs/dbraw/zinc/35/35/57/315353557.db2.gz GIVHMEHZADDIBP-OAHLLOKOSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1c[nH]c(-c2ccccc2NC(=O)CCCC[NH+](C)C)[nH+]1 ZINC000566655246 315365075 /nfs/dbraw/zinc/36/50/75/315365075.db2.gz NQMJPQRSNORVTJ-UHFFFAOYSA-N 2 2 300.406 3.056 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566941257 315384976 /nfs/dbraw/zinc/38/49/76/315384976.db2.gz OXALBCAXYHMIFL-ZDUSSCGKSA-N 2 2 305.809 3.072 20 0 DGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567114150 315397648 /nfs/dbraw/zinc/39/76/48/315397648.db2.gz DFDZWMXRLSJSER-CQSZACIVSA-N 2 2 322.880 3.228 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000567245942 315407878 /nfs/dbraw/zinc/40/78/78/315407878.db2.gz AZRLVBCQIXBOGN-QGZVFWFLSA-N 2 2 308.441 3.102 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](CO)c2ccccc2Cl)c[nH+]1 ZINC000567651414 315438341 /nfs/dbraw/zinc/43/83/41/315438341.db2.gz VGPRNEFZHGGFEQ-INIZCTEOSA-N 2 2 318.848 3.342 20 0 DGADLP C[C@H]([NH2+]CCOc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]1 ZINC000571669364 315736975 /nfs/dbraw/zinc/73/69/75/315736975.db2.gz JIIZAQKTSLNWLQ-CMPLNLGQSA-N 2 2 303.233 3.102 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(C)c1 ZINC000574868308 316009136 /nfs/dbraw/zinc/00/91/36/316009136.db2.gz XVWFBBUGSUGKOA-SFHVURJKSA-N 2 2 316.489 3.297 20 0 DGADLP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c(C)c1 ZINC000574868308 316009138 /nfs/dbraw/zinc/00/91/38/316009138.db2.gz XVWFBBUGSUGKOA-SFHVURJKSA-N 2 2 316.489 3.297 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000575115304 316034493 /nfs/dbraw/zinc/03/44/93/316034493.db2.gz URQVOMCPRMYGRA-GBESFXJTSA-N 2 2 321.424 3.219 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCC(C)(C)C3)c2cc1C ZINC000575836063 316066922 /nfs/dbraw/zinc/06/69/22/316066922.db2.gz YOEUBKVUCNNXEX-HOTGVXAUSA-N 2 2 315.461 3.182 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)s1 ZINC000576016153 316086216 /nfs/dbraw/zinc/08/62/16/316086216.db2.gz JMMYOIWVLJDGRL-QGZVFWFLSA-N 2 2 308.491 3.052 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)s1 ZINC000576016153 316086219 /nfs/dbraw/zinc/08/62/19/316086219.db2.gz JMMYOIWVLJDGRL-QGZVFWFLSA-N 2 2 308.491 3.052 20 0 DGADLP COCCCC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000576122888 316097750 /nfs/dbraw/zinc/09/77/50/316097750.db2.gz SKXCICHRXWABFU-SFHVURJKSA-N 2 2 301.434 3.376 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)n1C ZINC000576362123 316122850 /nfs/dbraw/zinc/12/28/50/316122850.db2.gz UQIPYZGYZOXRAS-ROUUACIJSA-N 2 2 313.445 3.202 20 0 DGADLP C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000576362243 316123007 /nfs/dbraw/zinc/12/30/07/316123007.db2.gz XWAQMQIDPYDWIX-QGZVFWFLSA-N 2 2 312.461 3.082 20 0 DGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000576368579 316123780 /nfs/dbraw/zinc/12/37/80/316123780.db2.gz BXCPKMJNSIDZGR-LJQANCHMSA-N 2 2 318.424 3.053 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]CC3(C)CC3)[nH+]c12 ZINC000576409682 316127294 /nfs/dbraw/zinc/12/72/94/316127294.db2.gz KOIIOIDDJRCTCB-UHFFFAOYSA-N 2 2 322.250 3.337 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)CCO1 ZINC000576430719 316129299 /nfs/dbraw/zinc/12/92/99/316129299.db2.gz MMEWXBXYGZJJHH-RDJZCZTQSA-N 2 2 311.385 3.176 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c2ccccc2n1 ZINC000577026652 316194137 /nfs/dbraw/zinc/19/41/37/316194137.db2.gz VWEGSKPKLLHDGV-OAHLLOKOSA-N 2 2 306.413 3.266 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c2ccccc2n1 ZINC000577026652 316194140 /nfs/dbraw/zinc/19/41/40/316194140.db2.gz VWEGSKPKLLHDGV-OAHLLOKOSA-N 2 2 306.413 3.266 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000577741982 316266282 /nfs/dbraw/zinc/26/62/82/316266282.db2.gz PJDWDGKAMZVMLT-AAEUAGOBSA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000577741982 316266283 /nfs/dbraw/zinc/26/62/83/316266283.db2.gz PJDWDGKAMZVMLT-AAEUAGOBSA-N 2 2 312.841 3.059 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000578013002 316294391 /nfs/dbraw/zinc/29/43/91/316294391.db2.gz VUQIODGUIBKCKA-DNVCBOLYSA-N 2 2 320.452 3.462 20 0 DGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000578013002 316294396 /nfs/dbraw/zinc/29/43/96/316294396.db2.gz VUQIODGUIBKCKA-DNVCBOLYSA-N 2 2 320.452 3.462 20 0 DGADLP C[C@@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C[C@@H]1C ZINC000182182977 323286391 /nfs/dbraw/zinc/28/63/91/323286391.db2.gz UUGHYXOTWXMZNF-HZSPNIEDSA-N 2 2 322.416 3.447 20 0 DGADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1[nH+]ccn1C)Cc1ccccc1 ZINC000182358996 323295002 /nfs/dbraw/zinc/29/50/02/323295002.db2.gz OEWNFNQFNLGREH-SJLPKXTDSA-N 2 2 314.477 3.024 20 0 DGADLP Cc1cccn2c(CN(CCC[NH3+])c3cccc(F)c3)c[nH+]c12 ZINC000183219632 323330097 /nfs/dbraw/zinc/33/00/97/323330097.db2.gz LUMYZXQZZWRENR-UHFFFAOYSA-N 2 2 312.392 3.137 20 0 DGADLP CC(C)(C[NH2+]Cc1nc(-c2ccccc2)c[nH]1)C[NH+]1CCCC1 ZINC000580520123 324006508 /nfs/dbraw/zinc/00/65/08/324006508.db2.gz VVHVSYFGHUWICS-UHFFFAOYSA-N 2 2 312.461 3.288 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000580552803 324011298 /nfs/dbraw/zinc/01/12/98/324011298.db2.gz ALKKNHFBWOEDCJ-CQSZACIVSA-N 2 2 323.868 3.133 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722281 324031453 /nfs/dbraw/zinc/03/14/53/324031453.db2.gz HQAFXRJTDDLLSP-RYUDHWBXSA-N 2 2 305.422 3.261 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000580722281 324031454 /nfs/dbraw/zinc/03/14/54/324031454.db2.gz HQAFXRJTDDLLSP-RYUDHWBXSA-N 2 2 305.422 3.261 20 0 DGADLP CC(C)[NH2+]C1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000581052736 324068249 /nfs/dbraw/zinc/06/82/49/324068249.db2.gz DHGKHWCKQAIJDQ-UHFFFAOYSA-N 2 2 309.417 3.078 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000581110166 324074858 /nfs/dbraw/zinc/07/48/58/324074858.db2.gz WHLBWNFXIYWDKA-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000581110166 324074863 /nfs/dbraw/zinc/07/48/63/324074863.db2.gz WHLBWNFXIYWDKA-IRXDYDNUSA-N 2 2 302.462 3.241 20 0 DGADLP C[C@@H](CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496493 324123547 /nfs/dbraw/zinc/12/35/47/324123547.db2.gz KCJFCJFRQWPTQW-FUHWJXTLSA-N 2 2 313.445 3.205 20 0 DGADLP C[C@@H](CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OCc1ccccc1 ZINC000581496493 324123552 /nfs/dbraw/zinc/12/35/52/324123552.db2.gz KCJFCJFRQWPTQW-FUHWJXTLSA-N 2 2 313.445 3.205 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041642 324181696 /nfs/dbraw/zinc/18/16/96/324181696.db2.gz QXTUKURGNXNKEW-MAUKXSAKSA-N 2 2 308.441 3.225 20 0 DGADLP COCCC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000582041642 324181701 /nfs/dbraw/zinc/18/17/01/324181701.db2.gz QXTUKURGNXNKEW-MAUKXSAKSA-N 2 2 308.441 3.225 20 0 DGADLP COC(=O)C1([N@H+](C)CCCc2c[nH+]ccc2C)CCCCC1 ZINC000582452755 324230659 /nfs/dbraw/zinc/23/06/59/324230659.db2.gz CNEWABYFZJWBNA-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP COC(=O)C1([N@@H+](C)CCCc2c[nH+]ccc2C)CCCCC1 ZINC000582452755 324230661 /nfs/dbraw/zinc/23/06/61/324230661.db2.gz CNEWABYFZJWBNA-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554530 324245341 /nfs/dbraw/zinc/24/53/41/324245341.db2.gz OWIUTIUJYKNQNO-GHMZBOCLSA-N 2 2 323.412 3.400 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000582554530 324245347 /nfs/dbraw/zinc/24/53/47/324245347.db2.gz OWIUTIUJYKNQNO-GHMZBOCLSA-N 2 2 323.412 3.400 20 0 DGADLP C[NH+](C)CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000582804159 324278192 /nfs/dbraw/zinc/27/81/92/324278192.db2.gz IDTGVFKTCNDMPG-HIFRSBDPSA-N 2 2 300.368 3.493 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004969 324300656 /nfs/dbraw/zinc/30/06/56/324300656.db2.gz ODHXTVXLBPLZGW-NZKYLMMGSA-N 2 2 302.462 3.368 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583004969 324300659 /nfs/dbraw/zinc/30/06/59/324300659.db2.gz ODHXTVXLBPLZGW-NZKYLMMGSA-N 2 2 302.462 3.368 20 0 DGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000583018680 324302432 /nfs/dbraw/zinc/30/24/32/324302432.db2.gz BOJLMYLRLYITDV-CRAIPNDOSA-N 2 2 311.429 3.002 20 0 DGADLP Cn1cc[nH+]c1CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000583024716 324303486 /nfs/dbraw/zinc/30/34/86/324303486.db2.gz HEQDFZYMFZUHGE-INIZCTEOSA-N 2 2 301.459 3.318 20 0 DGADLP Cn1cc[nH+]c1CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000583024716 324303487 /nfs/dbraw/zinc/30/34/87/324303487.db2.gz HEQDFZYMFZUHGE-INIZCTEOSA-N 2 2 301.459 3.318 20 0 DGADLP CC1(C)CCC[NH2+][C@@H]1CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000583019031 324303494 /nfs/dbraw/zinc/30/34/94/324303494.db2.gz YMWRNXBVXLUYKC-HZPDHXFCSA-N 2 2 304.482 3.399 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675597 324382992 /nfs/dbraw/zinc/38/29/92/324382992.db2.gz DCFZKLMDMRZCIS-AEFFLSMTSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000583675597 324382994 /nfs/dbraw/zinc/38/29/94/324382994.db2.gz DCFZKLMDMRZCIS-AEFFLSMTSA-N 2 2 322.880 3.154 20 0 DGADLP CCC[NH+]1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000584510345 337351899 /nfs/dbraw/zinc/35/18/99/337351899.db2.gz IDIWRTNYQKMLMV-UHFFFAOYSA-N 2 2 309.417 3.397 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Br)o1 ZINC000378958473 1176759308 /nfs/dbraw/zinc/75/93/08/1176759308.db2.gz WHPHOOKZQJAMIU-NEPJUHHUSA-N 2 2 315.255 3.443 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000086818831 1177546093 /nfs/dbraw/zinc/54/60/93/1177546093.db2.gz FZEYKAJLCOSWGC-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP CCC[N@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938089 1177876623 /nfs/dbraw/zinc/87/66/23/1177876623.db2.gz BTPRNOQEWWRFDE-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP CCC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938089 1177876629 /nfs/dbraw/zinc/87/66/29/1177876629.db2.gz BTPRNOQEWWRFDE-OAHLLOKOSA-N 2 2 311.267 3.413 20 0 DGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000641804771 500641930 /nfs/dbraw/zinc/64/19/30/500641930.db2.gz LMYVXVLRTZRKEJ-KBPBESRZSA-N 2 2 305.809 3.210 20 0 DGADLP CCC(C)(C)[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000568840872 500647824 /nfs/dbraw/zinc/64/78/24/500647824.db2.gz GORDTICTLRLPLL-KRWDZBQOSA-N 3 2 318.509 3.008 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc2cccnc12 ZINC000415059120 533726600 /nfs/dbraw/zinc/72/66/00/533726600.db2.gz WRAOOFNKVPAWIE-VQTJNVASSA-N 2 2 317.436 3.388 20 0 DGADLP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636903 533734186 /nfs/dbraw/zinc/73/41/86/533734186.db2.gz QSMSUCWVTVAATC-APWZRJJASA-N 2 2 313.445 3.388 20 0 DGADLP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323636903 533734192 /nfs/dbraw/zinc/73/41/92/533734192.db2.gz QSMSUCWVTVAATC-APWZRJJASA-N 2 2 313.445 3.388 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N(C)CCCn1cc[nH+]c1 ZINC000302600567 533909494 /nfs/dbraw/zinc/90/94/94/533909494.db2.gz CBFOMCINEKQHKJ-UHFFFAOYSA-N 2 2 310.401 3.275 20 0 DGADLP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181546843 533925694 /nfs/dbraw/zinc/92/56/94/533925694.db2.gz AGMLDSYNYZFIEV-AWEZNQCLSA-N 2 2 321.380 3.452 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000415067829 533963765 /nfs/dbraw/zinc/96/37/65/533963765.db2.gz PYHLANZSZOCYKZ-NSISKUIASA-N 3 2 315.505 3.147 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000415067829 533963772 /nfs/dbraw/zinc/96/37/72/533963772.db2.gz PYHLANZSZOCYKZ-NSISKUIASA-N 3 2 315.505 3.147 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)o1 ZINC000430555115 534212850 /nfs/dbraw/zinc/21/28/50/534212850.db2.gz RONOQEUQQDXZQP-QWHCGFSZSA-N 2 2 305.447 3.271 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)o1 ZINC000430555115 534212852 /nfs/dbraw/zinc/21/28/52/534212852.db2.gz RONOQEUQQDXZQP-QWHCGFSZSA-N 2 2 305.447 3.271 20 0 DGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1Cl ZINC000295885415 534263209 /nfs/dbraw/zinc/26/32/09/534263209.db2.gz DFSRXWDXBFSDPU-AWEZNQCLSA-N 2 2 324.852 3.043 20 0 DGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1Cl ZINC000295885415 534263211 /nfs/dbraw/zinc/26/32/11/534263211.db2.gz DFSRXWDXBFSDPU-AWEZNQCLSA-N 2 2 324.852 3.043 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430947642 534364223 /nfs/dbraw/zinc/36/42/23/534364223.db2.gz BRBUAENOGIOKLY-LBPRGKRZSA-N 2 2 305.809 3.084 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000430947642 534364232 /nfs/dbraw/zinc/36/42/32/534364232.db2.gz BRBUAENOGIOKLY-LBPRGKRZSA-N 2 2 305.809 3.084 20 0 DGADLP CC[N@H+](C)[C@@H](c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396281 520271994 /nfs/dbraw/zinc/27/19/94/520271994.db2.gz NFAXAAUECCKUGM-LSDHHAIUSA-N 2 2 302.422 3.157 20 0 DGADLP CC[N@@H+](C)[C@@H](c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396281 520272004 /nfs/dbraw/zinc/27/20/04/520272004.db2.gz NFAXAAUECCKUGM-LSDHHAIUSA-N 2 2 302.422 3.157 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(F)cc1Cl ZINC000181065210 522804896 /nfs/dbraw/zinc/80/48/96/522804896.db2.gz LRXCZDABPAIVIM-UHFFFAOYSA-N 2 2 311.788 3.077 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(F)cc1Cl ZINC000181065210 522804908 /nfs/dbraw/zinc/80/49/08/522804908.db2.gz LRXCZDABPAIVIM-UHFFFAOYSA-N 2 2 311.788 3.077 20 0 DGADLP CC(C)(C)[NH2+]CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415082921 526331688 /nfs/dbraw/zinc/33/16/88/526331688.db2.gz MJYUUYUMRXZLOV-UHFFFAOYSA-N 2 2 304.356 3.105 20 0 DGADLP Brc1cccc2c(NCCn3cc[nH+]c3)cc[nH+]c12 ZINC000302154695 526647079 /nfs/dbraw/zinc/64/70/79/526647079.db2.gz VNABWFYJITUFJD-UHFFFAOYSA-N 2 2 317.190 3.306 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)n1 ZINC000431070816 527260521 /nfs/dbraw/zinc/26/05/21/527260521.db2.gz RPFVFEBYYMZYPK-HNNXBMFYSA-N 2 2 314.433 3.381 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCCC[C@H]2c2ccccc2)n1 ZINC000431070816 527260527 /nfs/dbraw/zinc/26/05/27/527260527.db2.gz RPFVFEBYYMZYPK-HNNXBMFYSA-N 2 2 314.433 3.381 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000294869497 527354537 /nfs/dbraw/zinc/35/45/37/527354537.db2.gz DPMIFSHMEJAEPK-LJQANCHMSA-N 2 2 300.446 3.340 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000294869497 527354544 /nfs/dbraw/zinc/35/45/44/527354544.db2.gz DPMIFSHMEJAEPK-LJQANCHMSA-N 2 2 300.446 3.340 20 0 DGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000294924091 527357228 /nfs/dbraw/zinc/35/72/28/527357228.db2.gz IPZBAYCVARVBCJ-GOSISDBHSA-N 2 2 300.446 3.197 20 0 DGADLP CC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000294924091 527357232 /nfs/dbraw/zinc/35/72/32/527357232.db2.gz IPZBAYCVARVBCJ-GOSISDBHSA-N 2 2 300.446 3.197 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(Cl)cc1 ZINC000434983833 527898325 /nfs/dbraw/zinc/89/83/25/527898325.db2.gz UKDSYPSTEBZKCS-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(Cl)cc1 ZINC000434983833 527898332 /nfs/dbraw/zinc/89/83/32/527898332.db2.gz UKDSYPSTEBZKCS-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(Cl)cc1 ZINC000434983833 527898336 /nfs/dbraw/zinc/89/83/36/527898336.db2.gz UKDSYPSTEBZKCS-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(Cl)cc1 ZINC000434983833 527898343 /nfs/dbraw/zinc/89/83/43/527898343.db2.gz UKDSYPSTEBZKCS-CVEARBPZSA-N 2 2 308.853 3.277 20 0 DGADLP CC1=C[C@@H](C)C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000430879324 528132035 /nfs/dbraw/zinc/13/20/35/528132035.db2.gz SBFFFRPIQMHWJZ-CYBMUJFWSA-N 2 2 305.491 3.308 20 0 DGADLP CC1=C[C@@H](C)C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000430879324 528132043 /nfs/dbraw/zinc/13/20/43/528132043.db2.gz SBFFFRPIQMHWJZ-CYBMUJFWSA-N 2 2 305.491 3.308 20 0 DGADLP CC1=C[C@@H](C)C[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430879324 528132049 /nfs/dbraw/zinc/13/20/49/528132049.db2.gz SBFFFRPIQMHWJZ-CYBMUJFWSA-N 2 2 305.491 3.308 20 0 DGADLP CC1=C[C@@H](C)C[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430879324 528132052 /nfs/dbraw/zinc/13/20/52/528132052.db2.gz SBFFFRPIQMHWJZ-CYBMUJFWSA-N 2 2 305.491 3.308 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000316443346 528176613 /nfs/dbraw/zinc/17/66/13/528176613.db2.gz AABMQYWWNYSGKP-KRWDZBQOSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)c1cccc(NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000316443346 528176617 /nfs/dbraw/zinc/17/66/17/528176617.db2.gz AABMQYWWNYSGKP-KRWDZBQOSA-N 2 2 305.466 3.054 20 0 DGADLP CC(C)c1ncc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000331811109 528351769 /nfs/dbraw/zinc/35/17/69/528351769.db2.gz ZDMSZIHHEQYPBF-IUODEOHRSA-N 2 2 320.462 3.010 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415085003 528462146 /nfs/dbraw/zinc/46/21/46/528462146.db2.gz POSDKAPSHDTDIX-VQTJNVASSA-N 3 2 315.505 3.334 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433316058 528462555 /nfs/dbraw/zinc/46/25/55/528462555.db2.gz GSEIGRXREYXATG-UHFFFAOYSA-N 2 2 302.422 3.024 20 0 DGADLP CC(C)C[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415132379 528473781 /nfs/dbraw/zinc/47/37/81/528473781.db2.gz LBQUZZRXHFRHRM-KRWDZBQOSA-N 3 2 303.494 3.004 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000430597429 528509704 /nfs/dbraw/zinc/50/97/04/528509704.db2.gz LWVVPOOVPLCUQE-LBPRGKRZSA-N 2 2 310.392 3.237 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000430597429 528509709 /nfs/dbraw/zinc/50/97/09/528509709.db2.gz LWVVPOOVPLCUQE-LBPRGKRZSA-N 2 2 310.392 3.237 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000428372564 528723207 /nfs/dbraw/zinc/72/32/07/528723207.db2.gz JHWPTDSYJVSDPL-DZGCQCFKSA-N 2 2 302.422 3.215 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000428372564 528723214 /nfs/dbraw/zinc/72/32/14/528723214.db2.gz JHWPTDSYJVSDPL-DZGCQCFKSA-N 2 2 302.422 3.215 20 0 DGADLP CCCC[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415135759 528762441 /nfs/dbraw/zinc/76/24/41/528762441.db2.gz QMXSZAUGYQGYNZ-QGZVFWFLSA-N 3 2 303.494 3.148 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000309905245 528787609 /nfs/dbraw/zinc/78/76/09/528787609.db2.gz QEFISNYHAPZJES-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000309905245 528787613 /nfs/dbraw/zinc/78/76/13/528787613.db2.gz QEFISNYHAPZJES-QRQLOZEOSA-N 2 2 304.478 3.300 20 0 DGADLP CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435630113 528880298 /nfs/dbraw/zinc/88/02/98/528880298.db2.gz ZPZRUOOGTCWUFA-KRWDZBQOSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435630113 528880301 /nfs/dbraw/zinc/88/03/01/528880301.db2.gz ZPZRUOOGTCWUFA-KRWDZBQOSA-N 2 2 317.408 3.445 20 0 DGADLP CC[N@H+](Cc1csc(-c2ccco2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435381427 528880545 /nfs/dbraw/zinc/88/05/45/528880545.db2.gz TWAZNRQRSKHJGU-CQSZACIVSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1csc(-c2ccco2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435381427 528880548 /nfs/dbraw/zinc/88/05/48/528880548.db2.gz TWAZNRQRSKHJGU-CQSZACIVSA-N 2 2 305.447 3.367 20 0 DGADLP CC(C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1cccc(Cl)c1 ZINC000430558497 528965814 /nfs/dbraw/zinc/96/58/14/528965814.db2.gz YQEKFEQEUGUCTD-UHFFFAOYSA-N 2 2 322.840 3.327 20 0 DGADLP CC(C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1cccc(Cl)c1 ZINC000430558497 528965818 /nfs/dbraw/zinc/96/58/18/528965818.db2.gz YQEKFEQEUGUCTD-UHFFFAOYSA-N 2 2 322.840 3.327 20 0 DGADLP CC(C)[NH+]1CCC(N(C)c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000443431573 528991072 /nfs/dbraw/zinc/99/10/72/528991072.db2.gz BNNSYTONDAHRKI-UHFFFAOYSA-N 2 2 304.413 3.021 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000430570526 529046565 /nfs/dbraw/zinc/04/65/65/529046565.db2.gz YTMRLKABCDAAKU-QGZVFWFLSA-N 2 2 313.445 3.084 20 0 DGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000430570526 529046577 /nfs/dbraw/zinc/04/65/77/529046577.db2.gz YTMRLKABCDAAKU-QGZVFWFLSA-N 2 2 313.445 3.084 20 0 DGADLP CCc1cccc(CC)c1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430562200 529164482 /nfs/dbraw/zinc/16/44/82/529164482.db2.gz PYLBGNNNHITNFZ-KRWDZBQOSA-N 2 2 319.493 3.055 20 0 DGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430562200 529164485 /nfs/dbraw/zinc/16/44/85/529164485.db2.gz PYLBGNNNHITNFZ-KRWDZBQOSA-N 2 2 319.493 3.055 20 0 DGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430555920 529167282 /nfs/dbraw/zinc/16/72/82/529167282.db2.gz JQBXVBUSWMNAKW-CQSZACIVSA-N 2 2 319.493 3.055 20 0 DGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430555920 529167285 /nfs/dbraw/zinc/16/72/85/529167285.db2.gz JQBXVBUSWMNAKW-CQSZACIVSA-N 2 2 319.493 3.055 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(O)CCCC1 ZINC000449734447 535146174 /nfs/dbraw/zinc/14/61/74/535146174.db2.gz BUUXJKJMTLJLCW-UHFFFAOYSA-N 2 2 313.445 3.293 20 0 DGADLP CCOc1ccccc1C1=CC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000459329875 535495809 /nfs/dbraw/zinc/49/58/09/535495809.db2.gz RAOZZTLDXUQOIF-UHFFFAOYSA-N 2 2 311.429 3.151 20 0 DGADLP CCOc1ccccc1C1=CC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000459329875 535495813 /nfs/dbraw/zinc/49/58/13/535495813.db2.gz RAOZZTLDXUQOIF-UHFFFAOYSA-N 2 2 311.429 3.151 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)[C@H]1Sc1ccccc1 ZINC000459462868 535498465 /nfs/dbraw/zinc/49/84/65/535498465.db2.gz LUIGSBNNOHGTNC-RCCFBDPRSA-N 2 2 320.502 3.010 20 0 DGADLP CC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449521407 535523908 /nfs/dbraw/zinc/52/39/08/535523908.db2.gz GSPJDYTYVAFNFP-OAHLLOKOSA-N 2 2 317.477 3.245 20 0 DGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000449339617 536354009 /nfs/dbraw/zinc/35/40/09/536354009.db2.gz KZIUNBGQLDTYRY-AWEZNQCLSA-N 2 2 300.406 3.039 20 0 DGADLP COc1ccc2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000494410476 537035316 /nfs/dbraw/zinc/03/53/16/537035316.db2.gz KEEODFVRKPBGKH-QGZVFWFLSA-N 2 2 307.397 3.150 20 0 DGADLP COc1cccnc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449750521 537112861 /nfs/dbraw/zinc/11/28/61/537112861.db2.gz VCFDWGGYPAKNEV-MAUKXSAKSA-N 2 2 317.477 3.223 20 0 DGADLP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185670 545822388 /nfs/dbraw/zinc/82/23/88/545822388.db2.gz UVKUDJVCORRMOZ-MJGOQNOKSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185670 545822394 /nfs/dbraw/zinc/82/23/94/545822394.db2.gz UVKUDJVCORRMOZ-MJGOQNOKSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)(CO)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187302 545824286 /nfs/dbraw/zinc/82/42/86/545824286.db2.gz FMGLODIZIQABDO-SFHVURJKSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(CO)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187302 545824296 /nfs/dbraw/zinc/82/42/96/545824296.db2.gz FMGLODIZIQABDO-SFHVURJKSA-N 2 2 318.505 3.428 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320482 545824343 /nfs/dbraw/zinc/82/43/43/545824343.db2.gz DDCGOYYKYXBJIA-UMVBOHGHSA-N 2 2 309.251 3.051 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188028 545824663 /nfs/dbraw/zinc/82/46/63/545824663.db2.gz DVMIDBLCGNRBRY-IEBWSBKVSA-N 2 2 318.505 3.428 20 0 DGADLP CCC[C@H](CCO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090188028 545824666 /nfs/dbraw/zinc/82/46/66/545824666.db2.gz DVMIDBLCGNRBRY-IEBWSBKVSA-N 2 2 318.505 3.428 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000091368257 545836947 /nfs/dbraw/zinc/83/69/47/545836947.db2.gz RQUOYSRHVWFVIE-LJQANCHMSA-N 2 2 302.462 3.147 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000123417632 545906070 /nfs/dbraw/zinc/90/60/70/545906070.db2.gz MMXPKVNYTYGUFY-RBUKOAKNSA-N 2 2 316.489 3.269 20 0 DGADLP FC(F)(F)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000156455659 546034358 /nfs/dbraw/zinc/03/43/58/546034358.db2.gz SZMKFWXZIBAKFJ-UHFFFAOYSA-N 2 2 321.346 3.423 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690975 546042091 /nfs/dbraw/zinc/04/20/91/546042091.db2.gz MYMAJLJJRNDHEH-DLBZAZTESA-N 2 2 318.461 3.229 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)c(OC)c1 ZINC000157690975 546042094 /nfs/dbraw/zinc/04/20/94/546042094.db2.gz MYMAJLJJRNDHEH-DLBZAZTESA-N 2 2 318.461 3.229 20 0 DGADLP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000161601961 546071376 /nfs/dbraw/zinc/07/13/76/546071376.db2.gz CCAGVRSWPQUMFK-PXNSSMCTSA-N 2 2 315.505 3.113 20 0 DGADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000166546176 546096937 /nfs/dbraw/zinc/09/69/37/546096937.db2.gz WIRGCIXGDLERSE-SXLOBPIMSA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000166546176 546096940 /nfs/dbraw/zinc/09/69/40/546096940.db2.gz WIRGCIXGDLERSE-SXLOBPIMSA-N 2 2 314.473 3.228 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3ccccc3nc2C)C1 ZINC000176273539 546116036 /nfs/dbraw/zinc/11/60/36/546116036.db2.gz CPKKUXJKBGTUEZ-MRXNPFEDSA-N 2 2 312.461 3.102 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3ccccc3nc2C)C1 ZINC000176273539 546116039 /nfs/dbraw/zinc/11/60/39/546116039.db2.gz CPKKUXJKBGTUEZ-MRXNPFEDSA-N 2 2 312.461 3.102 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000176273539 546116042 /nfs/dbraw/zinc/11/60/42/546116042.db2.gz CPKKUXJKBGTUEZ-MRXNPFEDSA-N 2 2 312.461 3.102 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3ccccc3nc2C)C1 ZINC000176273539 546116046 /nfs/dbraw/zinc/11/60/46/546116046.db2.gz CPKKUXJKBGTUEZ-MRXNPFEDSA-N 2 2 312.461 3.102 20 0 DGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000178311882 546128425 /nfs/dbraw/zinc/12/84/25/546128425.db2.gz WOUQSFNFBJVGGW-LBPRGKRZSA-N 2 2 302.340 3.332 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000180193003 546142736 /nfs/dbraw/zinc/14/27/36/546142736.db2.gz KDEMYDDHFJUKMT-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC000180193003 546142740 /nfs/dbraw/zinc/14/27/40/546142740.db2.gz KDEMYDDHFJUKMT-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000180246733 546143510 /nfs/dbraw/zinc/14/35/10/546143510.db2.gz YNZZNDFHADTMKA-AWEZNQCLSA-N 2 2 312.461 3.206 20 0 DGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000180246733 546143516 /nfs/dbraw/zinc/14/35/16/546143516.db2.gz YNZZNDFHADTMKA-AWEZNQCLSA-N 2 2 312.461 3.206 20 0 DGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251043265 546329465 /nfs/dbraw/zinc/32/94/65/546329465.db2.gz DDCGOYYKYXBJIA-KCQAQPDRSA-N 2 2 309.251 3.051 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2sccc2Br)CC[C@H]1[NH3+] ZINC000251568044 546330272 /nfs/dbraw/zinc/33/02/72/546330272.db2.gz BTTODYAERTXVPN-MWLCHTKSSA-N 2 2 303.269 3.070 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2sccc2Br)CC[C@H]1[NH3+] ZINC000251568044 546330274 /nfs/dbraw/zinc/33/02/74/546330274.db2.gz BTTODYAERTXVPN-MWLCHTKSSA-N 2 2 303.269 3.070 20 0 DGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000261558294 546337792 /nfs/dbraw/zinc/33/77/92/546337792.db2.gz YBJWRRFMXLIWIR-UHFFFAOYSA-N 2 2 306.356 3.249 20 0 DGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000261558294 546337793 /nfs/dbraw/zinc/33/77/93/546337793.db2.gz YBJWRRFMXLIWIR-UHFFFAOYSA-N 2 2 306.356 3.249 20 0 DGADLP COCC[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280330549 546381631 /nfs/dbraw/zinc/38/16/31/546381631.db2.gz ZMLBUEJYWXOOGD-AWEZNQCLSA-N 2 2 301.434 3.407 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cscc1Br ZINC000304628017 546440941 /nfs/dbraw/zinc/44/09/41/546440941.db2.gz VAHSWNQVOBIAHJ-UHFFFAOYSA-N 2 2 305.285 3.332 20 0 DGADLP C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305799004 546447505 /nfs/dbraw/zinc/44/75/05/546447505.db2.gz WOKOGZMNHMYHLQ-INIZCTEOSA-N 2 2 321.424 3.258 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000347210652 546582996 /nfs/dbraw/zinc/58/29/96/546582996.db2.gz XSCUNEBQJRSXLD-AEFFLSMTSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000347210652 546583002 /nfs/dbraw/zinc/58/30/02/546583002.db2.gz XSCUNEBQJRSXLD-AEFFLSMTSA-N 2 2 314.473 3.341 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348281109 546587516 /nfs/dbraw/zinc/58/75/16/546587516.db2.gz RSVNNWBOVZOYDM-HSALFYBXSA-N 2 2 314.473 3.056 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348281109 546587524 /nfs/dbraw/zinc/58/75/24/546587524.db2.gz RSVNNWBOVZOYDM-HSALFYBXSA-N 2 2 314.473 3.056 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000348309374 546588179 /nfs/dbraw/zinc/58/81/79/546588179.db2.gz RVKMRNWOOUJDFA-WXSAJPJJSA-N 2 2 316.493 3.114 20 0 DGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000348309374 546588183 /nfs/dbraw/zinc/58/81/83/546588183.db2.gz RVKMRNWOOUJDFA-WXSAJPJJSA-N 2 2 316.493 3.114 20 0 DGADLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000352452124 546651648 /nfs/dbraw/zinc/65/16/48/546651648.db2.gz BJRAGCPHWVJYCK-UHFFFAOYSA-N 2 2 303.312 3.248 20 0 DGADLP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3[nH]cc[nH+]3)c2)CC1 ZINC000353665543 546664801 /nfs/dbraw/zinc/66/48/01/546664801.db2.gz LAWDDGKKBACHHA-HNNXBMFYSA-N 2 2 313.449 3.113 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354421760 546674238 /nfs/dbraw/zinc/67/42/38/546674238.db2.gz SDMUARTWTXELSR-NFOMZHRRSA-N 2 2 324.431 3.302 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354421760 546674241 /nfs/dbraw/zinc/67/42/41/546674241.db2.gz SDMUARTWTXELSR-NFOMZHRRSA-N 2 2 324.431 3.302 20 0 DGADLP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419684547 546804026 /nfs/dbraw/zinc/80/40/26/546804026.db2.gz MEHBYMGNMDKADV-RDTXWAMCSA-N 2 2 312.461 3.289 20 0 DGADLP c1nc(C2CC2)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000435043349 546821444 /nfs/dbraw/zinc/82/14/44/546821444.db2.gz BBPIHGWKXNTVLL-CQSZACIVSA-N 2 2 301.415 3.069 20 0 DGADLP c1nc(C2CC2)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000435043349 546821446 /nfs/dbraw/zinc/82/14/46/546821446.db2.gz BBPIHGWKXNTVLL-CQSZACIVSA-N 2 2 301.415 3.069 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000486815315 546915903 /nfs/dbraw/zinc/91/59/03/546915903.db2.gz NMPLBNRGNPEHKU-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000486815315 546915907 /nfs/dbraw/zinc/91/59/07/546915907.db2.gz NMPLBNRGNPEHKU-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@H]1CC[N@H+](Cc2scnc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000494925899 546936632 /nfs/dbraw/zinc/93/66/32/546936632.db2.gz VPJDQTWFIWBRGT-GXTWGEPZSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000494925899 546936638 /nfs/dbraw/zinc/93/66/38/546936638.db2.gz VPJDQTWFIWBRGT-GXTWGEPZSA-N 2 2 302.447 3.300 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(Br)c2)n1C ZINC000667498283 547203306 /nfs/dbraw/zinc/20/33/06/547203306.db2.gz BSLBVWARWMGUNW-UHFFFAOYSA-N 2 2 308.223 3.123 20 0 DGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000667497118 547203215 /nfs/dbraw/zinc/20/32/15/547203215.db2.gz SPRCNNPXXNFQPO-CQSZACIVSA-N 2 2 301.434 3.190 20 0 DGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000667497118 547203217 /nfs/dbraw/zinc/20/32/17/547203217.db2.gz SPRCNNPXXNFQPO-CQSZACIVSA-N 2 2 301.434 3.190 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(Br)c2)n1C ZINC000667498283 547203308 /nfs/dbraw/zinc/20/33/08/547203308.db2.gz BSLBVWARWMGUNW-UHFFFAOYSA-N 2 2 308.223 3.123 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)n1C ZINC000667598620 547239206 /nfs/dbraw/zinc/23/92/06/547239206.db2.gz XXHCELUPVOHZOQ-QGZVFWFLSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)n1C ZINC000667598620 547239210 /nfs/dbraw/zinc/23/92/10/547239210.db2.gz XXHCELUPVOHZOQ-QGZVFWFLSA-N 2 2 301.409 3.465 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)n1C ZINC000667617414 547243672 /nfs/dbraw/zinc/24/36/72/547243672.db2.gz QOJMWMQBJOZAOO-UHFFFAOYSA-N 2 2 305.466 3.288 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)n1C ZINC000667644318 547255989 /nfs/dbraw/zinc/25/59/89/547255989.db2.gz DUJFORKEONCUHS-QGZVFWFLSA-N 2 2 301.459 3.327 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)n1C ZINC000667644318 547255992 /nfs/dbraw/zinc/25/59/92/547255992.db2.gz DUJFORKEONCUHS-QGZVFWFLSA-N 2 2 301.459 3.327 20 0 DGADLP c1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673163 547270008 /nfs/dbraw/zinc/27/00/08/547270008.db2.gz TVQMOJICIYEDAP-IRXDYDNUSA-N 2 2 314.458 3.127 20 0 DGADLP c1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667673163 547270012 /nfs/dbraw/zinc/27/00/12/547270012.db2.gz TVQMOJICIYEDAP-IRXDYDNUSA-N 2 2 314.458 3.127 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1C ZINC000667677480 547271083 /nfs/dbraw/zinc/27/10/83/547271083.db2.gz SUWXXBOQNGGPKE-OAHLLOKOSA-N 2 2 301.459 3.343 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1C ZINC000667677480 547271087 /nfs/dbraw/zinc/27/10/87/547271087.db2.gz SUWXXBOQNGGPKE-OAHLLOKOSA-N 2 2 301.459 3.343 20 0 DGADLP FC(F)(F)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000667696074 547277914 /nfs/dbraw/zinc/27/79/14/547277914.db2.gz KECGEIKBJAMULK-UHFFFAOYSA-N 2 2 324.350 3.432 20 0 DGADLP FC(F)(F)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000667696074 547277918 /nfs/dbraw/zinc/27/79/18/547277918.db2.gz KECGEIKBJAMULK-UHFFFAOYSA-N 2 2 324.350 3.432 20 0 DGADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667697318 547279334 /nfs/dbraw/zinc/27/93/34/547279334.db2.gz XROXVLTVAMXMPT-INIZCTEOSA-N 2 2 310.445 3.060 20 0 DGADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667697318 547279337 /nfs/dbraw/zinc/27/93/37/547279337.db2.gz XROXVLTVAMXMPT-INIZCTEOSA-N 2 2 310.445 3.060 20 0 DGADLP CCC(CC)(CC)C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667822497 547313348 /nfs/dbraw/zinc/31/33/48/547313348.db2.gz KADWJRFXDFDMGJ-UHFFFAOYSA-N 3 2 309.542 3.351 20 0 DGADLP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000667943994 547341454 /nfs/dbraw/zinc/34/14/54/547341454.db2.gz CRVMJVMYXHJAAR-SJKOYZFVSA-N 2 2 319.836 3.349 20 0 DGADLP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667969543 547350957 /nfs/dbraw/zinc/35/09/57/547350957.db2.gz MYLOSXOZGDIYJD-KBXCAEBGSA-N 2 2 311.429 3.421 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)n1C ZINC000667998388 547357662 /nfs/dbraw/zinc/35/76/62/547357662.db2.gz ZFSXIMJAUURNLI-UHFFFAOYSA-N 2 2 305.372 3.386 20 0 DGADLP F[C@@]1(c2ccccc2)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668109918 547387240 /nfs/dbraw/zinc/38/72/40/547387240.db2.gz QUQOICIEVHWAKM-IBGZPJMESA-N 2 2 322.387 3.338 20 0 DGADLP F[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668109918 547387244 /nfs/dbraw/zinc/38/72/44/547387244.db2.gz QUQOICIEVHWAKM-IBGZPJMESA-N 2 2 322.387 3.338 20 0 DGADLP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668170347 547400818 /nfs/dbraw/zinc/40/08/18/547400818.db2.gz LOTQWPZFYKMNTP-INIZCTEOSA-N 2 2 313.449 3.287 20 0 DGADLP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668170347 547400824 /nfs/dbraw/zinc/40/08/24/547400824.db2.gz LOTQWPZFYKMNTP-INIZCTEOSA-N 2 2 313.449 3.287 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2O1 ZINC000668188816 547410137 /nfs/dbraw/zinc/41/01/37/547410137.db2.gz PRMURVZETGYJNA-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2O1 ZINC000668188816 547410139 /nfs/dbraw/zinc/41/01/39/547410139.db2.gz PRMURVZETGYJNA-HNNXBMFYSA-N 2 2 320.396 3.050 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)n1C ZINC000668229667 547423787 /nfs/dbraw/zinc/42/37/87/547423787.db2.gz PQUGUCPTBQANHG-GOSISDBHSA-N 2 2 313.445 3.112 20 0 DGADLP c1[nH+]cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2c1CCCC2 ZINC000668440337 547456076 /nfs/dbraw/zinc/45/60/76/547456076.db2.gz LSUTVNYXKUAOEE-KRWDZBQOSA-N 2 2 315.461 3.016 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1O ZINC000668459324 547459817 /nfs/dbraw/zinc/45/98/17/547459817.db2.gz RTIOGROSJUJMQW-HOCLYGCPSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1O ZINC000668459324 547459819 /nfs/dbraw/zinc/45/98/19/547459819.db2.gz RTIOGROSJUJMQW-HOCLYGCPSA-N 2 2 320.477 3.184 20 0 DGADLP C[C@H](C[N@H+](C)CC1C[NH+](C)C1)c1cccc(Br)c1 ZINC000668540055 547475152 /nfs/dbraw/zinc/47/51/52/547475152.db2.gz VJOVQJUTIKJTGE-GFCCVEGCSA-N 2 2 311.267 3.046 20 0 DGADLP C[C@H](C[N@@H+](C)CC1C[NH+](C)C1)c1cccc(Br)c1 ZINC000668540055 547475155 /nfs/dbraw/zinc/47/51/55/547475155.db2.gz VJOVQJUTIKJTGE-GFCCVEGCSA-N 2 2 311.267 3.046 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539766 547475371 /nfs/dbraw/zinc/47/53/71/547475371.db2.gz LDISGYFLVXXSTP-UHFFFAOYSA-N 2 2 321.484 3.446 20 0 DGADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539766 547475375 /nfs/dbraw/zinc/47/53/75/547475375.db2.gz LDISGYFLVXXSTP-UHFFFAOYSA-N 2 2 321.484 3.446 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c[nH+]1 ZINC000668610400 547494495 /nfs/dbraw/zinc/49/44/95/547494495.db2.gz UXYVEZPTEODVDV-OALUTQOASA-N 2 2 312.461 3.057 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668682701 547508640 /nfs/dbraw/zinc/50/86/40/547508640.db2.gz MPLPBXKCXSAXTI-VMWRSERWSA-N 2 2 302.462 3.492 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668682701 547508645 /nfs/dbraw/zinc/50/86/45/547508645.db2.gz MPLPBXKCXSAXTI-VMWRSERWSA-N 2 2 302.462 3.492 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683174 547508781 /nfs/dbraw/zinc/50/87/81/547508781.db2.gz SWCROTQGNBRKQB-HOCLYGCPSA-N 2 2 308.441 3.087 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000668683174 547508783 /nfs/dbraw/zinc/50/87/83/547508783.db2.gz SWCROTQGNBRKQB-HOCLYGCPSA-N 2 2 308.441 3.087 20 0 DGADLP CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000668690035 547509594 /nfs/dbraw/zinc/50/95/94/547509594.db2.gz JMAZIKOVCTYNEK-QGZVFWFLSA-N 2 2 306.413 3.045 20 0 DGADLP Cc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1Cl ZINC000668785453 547541201 /nfs/dbraw/zinc/54/12/01/547541201.db2.gz QMCUJVQTCQKJKO-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1Cl ZINC000668785453 547541206 /nfs/dbraw/zinc/54/12/06/547541206.db2.gz QMCUJVQTCQKJKO-MRXNPFEDSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668785862 547541276 /nfs/dbraw/zinc/54/12/76/547541276.db2.gz ZKHHSICUUCWHRG-QGZVFWFLSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668785862 547541280 /nfs/dbraw/zinc/54/12/80/547541280.db2.gz ZKHHSICUUCWHRG-QGZVFWFLSA-N 2 2 310.869 3.191 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000669615662 547662156 /nfs/dbraw/zinc/66/21/56/547662156.db2.gz AGUPJUJYCAJYIX-KKXDTOCCSA-N 2 2 300.446 3.145 20 0 DGADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000669615662 547662159 /nfs/dbraw/zinc/66/21/59/547662159.db2.gz AGUPJUJYCAJYIX-KKXDTOCCSA-N 2 2 300.446 3.145 20 0 DGADLP COc1cccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1F ZINC000669679798 547670528 /nfs/dbraw/zinc/67/05/28/547670528.db2.gz VURHHNSTFYTONH-HUUCEWRRSA-N 2 2 308.441 3.292 20 0 DGADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986372 547767463 /nfs/dbraw/zinc/76/74/63/547767463.db2.gz CXQAJOHWHVOJCJ-HZPDHXFCSA-N 2 2 306.425 3.073 20 0 DGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986372 547767466 /nfs/dbraw/zinc/76/74/66/547767466.db2.gz CXQAJOHWHVOJCJ-HZPDHXFCSA-N 2 2 306.425 3.073 20 0 DGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671148133 547772351 /nfs/dbraw/zinc/77/23/51/547772351.db2.gz AUEVBBHYUZLJDO-MRXNPFEDSA-N 2 2 303.356 3.275 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)cc(C)[nH+]1 ZINC000672229520 547866645 /nfs/dbraw/zinc/86/66/45/547866645.db2.gz IIBNRRPLMBCNRR-KRWDZBQOSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)cc(C)[nH+]1 ZINC000672229520 547866648 /nfs/dbraw/zinc/86/66/48/547866648.db2.gz IIBNRRPLMBCNRR-KRWDZBQOSA-N 2 2 324.472 3.448 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cnc3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000673701381 547984166 /nfs/dbraw/zinc/98/41/66/547984166.db2.gz DXKCUUQNQXDLFH-LPHOPBHVSA-N 2 2 320.440 3.087 20 0 DGADLP C[C@H]1[C@@H]([NH2+]Cc2cnc3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000673701381 547984169 /nfs/dbraw/zinc/98/41/69/547984169.db2.gz DXKCUUQNQXDLFH-LPHOPBHVSA-N 2 2 320.440 3.087 20 0 DGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000674838727 548121668 /nfs/dbraw/zinc/12/16/68/548121668.db2.gz VMYLWFFUFNSLMY-UHFFFAOYSA-N 2 2 301.390 3.386 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000675102330 548151940 /nfs/dbraw/zinc/15/19/40/548151940.db2.gz WHVDNQLDPPGKQH-RDJZCZTQSA-N 2 2 320.440 3.316 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2[nH]nc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000675102330 548151944 /nfs/dbraw/zinc/15/19/44/548151944.db2.gz WHVDNQLDPPGKQH-RDJZCZTQSA-N 2 2 320.440 3.316 20 0 DGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766116 548266464 /nfs/dbraw/zinc/26/64/64/548266464.db2.gz UOMKDJPMKJLKBC-DOMZBBRYSA-N 2 2 314.351 3.256 20 0 DGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000675766116 548266469 /nfs/dbraw/zinc/26/64/69/548266469.db2.gz UOMKDJPMKJLKBC-DOMZBBRYSA-N 2 2 314.351 3.256 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000675834563 548280350 /nfs/dbraw/zinc/28/03/50/548280350.db2.gz WXHVJIGGBQBJAZ-APWZRJJASA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000675834563 548280355 /nfs/dbraw/zinc/28/03/55/548280355.db2.gz WXHVJIGGBQBJAZ-APWZRJJASA-N 2 2 300.446 3.147 20 0 DGADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1CCOC1 ZINC000675917523 548291527 /nfs/dbraw/zinc/29/15/27/548291527.db2.gz CMVVDOOGMMYQQP-FGTMMUONSA-N 2 2 313.445 3.109 20 0 DGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675919921 548291958 /nfs/dbraw/zinc/29/19/58/548291958.db2.gz PRBTWYVYHGLEGS-MAUKXSAKSA-N 2 2 313.445 3.109 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000675921799 548292345 /nfs/dbraw/zinc/29/23/45/548292345.db2.gz NAZQEUWJSDDPTI-MRXNPFEDSA-N 2 2 301.459 3.189 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000675921796 548292752 /nfs/dbraw/zinc/29/27/52/548292752.db2.gz NAZQEUWJSDDPTI-INIZCTEOSA-N 2 2 301.459 3.189 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929025 548294711 /nfs/dbraw/zinc/29/47/11/548294711.db2.gz XCIOTMQXGXSCIJ-MBOZVWFJSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000675929025 548294716 /nfs/dbraw/zinc/29/47/16/548294716.db2.gz XCIOTMQXGXSCIJ-MBOZVWFJSA-N 2 2 309.457 3.438 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000675929561 548294886 /nfs/dbraw/zinc/29/48/86/548294886.db2.gz PKARPIYQUXEXNX-MRXNPFEDSA-N 2 2 320.477 3.237 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077235 548317832 /nfs/dbraw/zinc/31/78/32/548317832.db2.gz MNMMJVWPOAVQIS-JQWIXIFHSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Br)c(F)c1 ZINC000676077235 548317836 /nfs/dbraw/zinc/31/78/36/548317836.db2.gz MNMMJVWPOAVQIS-JQWIXIFHSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCOC1 ZINC000677806791 548558793 /nfs/dbraw/zinc/55/87/93/548558793.db2.gz ODNKXGRHIMHITP-JQHSSLGASA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCOC1 ZINC000677806791 548558798 /nfs/dbraw/zinc/55/87/98/548558798.db2.gz ODNKXGRHIMHITP-JQHSSLGASA-N 2 2 302.462 3.054 20 0 DGADLP COC[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806569 548559421 /nfs/dbraw/zinc/55/94/21/548559421.db2.gz FMBCOGVSTQISFK-QZTJIDSGSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806569 548559425 /nfs/dbraw/zinc/55/94/25/548559425.db2.gz FMBCOGVSTQISFK-QZTJIDSGSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806570 548559450 /nfs/dbraw/zinc/55/94/50/548559450.db2.gz FMBCOGVSTQISFK-ROUUACIJSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000677806570 548559453 /nfs/dbraw/zinc/55/94/53/548559453.db2.gz FMBCOGVSTQISFK-ROUUACIJSA-N 2 2 304.478 3.300 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccn1 ZINC000678029849 548596798 /nfs/dbraw/zinc/59/67/98/548596798.db2.gz DCCRMIGDNCAEDB-YJBOKZPZSA-N 2 2 306.413 3.450 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000678336712 548681161 /nfs/dbraw/zinc/68/11/61/548681161.db2.gz JBYIWKDPQQKDTD-NUJGCVRESA-N 2 2 311.429 3.332 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000678336712 548681166 /nfs/dbraw/zinc/68/11/66/548681166.db2.gz JBYIWKDPQQKDTD-NUJGCVRESA-N 2 2 311.429 3.332 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C(C)C)C3CC3)c2cc1C ZINC000678586916 548733263 /nfs/dbraw/zinc/73/32/63/548733263.db2.gz MDZOTIJDPYJMQF-QFBILLFUSA-N 2 2 315.461 3.038 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000678689720 548751456 /nfs/dbraw/zinc/75/14/56/548751456.db2.gz JESAXMBGXJFRKI-GOSISDBHSA-N 2 2 322.880 3.492 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734051 548754620 /nfs/dbraw/zinc/75/46/20/548754620.db2.gz WITLHIMHQRGUHG-GBESFXJTSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734051 548754622 /nfs/dbraw/zinc/75/46/22/548754622.db2.gz WITLHIMHQRGUHG-GBESFXJTSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734050 548755064 /nfs/dbraw/zinc/75/50/64/548755064.db2.gz WITLHIMHQRGUHG-CEXWTWQISA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678734050 548755068 /nfs/dbraw/zinc/75/50/68/548755068.db2.gz WITLHIMHQRGUHG-CEXWTWQISA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000678929805 548795018 /nfs/dbraw/zinc/79/50/18/548795018.db2.gz NZVBICQEKKVKAR-MISYRCLQSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000678929805 548795022 /nfs/dbraw/zinc/79/50/22/548795022.db2.gz NZVBICQEKKVKAR-MISYRCLQSA-N 2 2 316.489 3.182 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994016 548808615 /nfs/dbraw/zinc/80/86/15/548808615.db2.gz ZTLPGFYAIJOTLU-DZGCQCFKSA-N 2 2 307.507 3.184 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994016 548808619 /nfs/dbraw/zinc/80/86/19/548808619.db2.gz ZTLPGFYAIJOTLU-DZGCQCFKSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994016 548808624 /nfs/dbraw/zinc/80/86/24/548808624.db2.gz ZTLPGFYAIJOTLU-DZGCQCFKSA-N 2 2 307.507 3.184 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000678994016 548808630 /nfs/dbraw/zinc/80/86/30/548808630.db2.gz ZTLPGFYAIJOTLU-DZGCQCFKSA-N 2 2 307.507 3.184 20 0 DGADLP Clc1cnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000679129628 548835262 /nfs/dbraw/zinc/83/52/62/548835262.db2.gz XRPBDVSPVKLRTK-GFCCVEGCSA-N 2 2 311.216 3.422 20 0 DGADLP Clc1cnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000679129628 548835265 /nfs/dbraw/zinc/83/52/65/548835265.db2.gz XRPBDVSPVKLRTK-GFCCVEGCSA-N 2 2 311.216 3.422 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000679336284 548880387 /nfs/dbraw/zinc/88/03/87/548880387.db2.gz KWIGPRCFGWCEQN-MJGOQNOKSA-N 2 2 304.478 3.182 20 0 DGADLP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000679336284 548880391 /nfs/dbraw/zinc/88/03/91/548880391.db2.gz KWIGPRCFGWCEQN-MJGOQNOKSA-N 2 2 304.478 3.182 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)CCCCO)[NH+]2CCCC2)cc1 ZINC000679338495 548881696 /nfs/dbraw/zinc/88/16/96/548881696.db2.gz OWDBXKLKRBEMBK-IEBWSBKVSA-N 2 2 304.478 3.273 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CCCCO)c(C)c1 ZINC000679356799 548884761 /nfs/dbraw/zinc/88/47/61/548884761.db2.gz KEGYYRIODJRGMG-IEBWSBKVSA-N 2 2 315.461 3.382 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000679937974 548966141 /nfs/dbraw/zinc/96/61/41/548966141.db2.gz LMDSYLLHJDBPGB-IBGZPJMESA-N 2 2 312.461 3.008 20 0 DGADLP Cc1[nH+]ccn1CCN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679937974 548966144 /nfs/dbraw/zinc/96/61/44/548966144.db2.gz LMDSYLLHJDBPGB-IBGZPJMESA-N 2 2 312.461 3.008 20 0 DGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000679998009 548977385 /nfs/dbraw/zinc/97/73/85/548977385.db2.gz PRBBPWWGKUJSPU-CVEARBPZSA-N 2 2 301.459 3.189 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000680464106 549054513 /nfs/dbraw/zinc/05/45/13/549054513.db2.gz DPDFQPNNBULWHD-SFHVURJKSA-N 2 2 322.880 3.418 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081743 549157023 /nfs/dbraw/zinc/15/70/23/549157023.db2.gz FNCGUIAVFPZSSO-FXAWDEMLSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000681081743 549157029 /nfs/dbraw/zinc/15/70/29/549157029.db2.gz FNCGUIAVFPZSSO-FXAWDEMLSA-N 2 2 309.457 3.439 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2(CO)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000681135492 549166522 /nfs/dbraw/zinc/16/65/22/549166522.db2.gz RQDFFJDUPGFFPX-GOSISDBHSA-N 2 2 316.489 3.182 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CC2(CO)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000681135492 549166526 /nfs/dbraw/zinc/16/65/26/549166526.db2.gz RQDFFJDUPGFFPX-GOSISDBHSA-N 2 2 316.489 3.182 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCc3c(C)ccc(C)c32)CC1 ZINC000681136993 549167009 /nfs/dbraw/zinc/16/70/09/549167009.db2.gz FPQFCEWEXWYNMN-IBGZPJMESA-N 2 2 316.489 3.381 20 0 DGADLP CCn1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000681164913 549170403 /nfs/dbraw/zinc/17/04/03/549170403.db2.gz UHHOJFPBPOCHJP-HNNXBMFYSA-N 2 2 309.417 3.090 20 0 DGADLP CCn1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000681164913 549170409 /nfs/dbraw/zinc/17/04/09/549170409.db2.gz UHHOJFPBPOCHJP-HNNXBMFYSA-N 2 2 309.417 3.090 20 0 DGADLP CCc1cc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000681397904 549203175 /nfs/dbraw/zinc/20/31/75/549203175.db2.gz SOJRWAPQBABYNZ-GOSISDBHSA-N 2 2 310.445 3.362 20 0 DGADLP CCc1cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000681397904 549203180 /nfs/dbraw/zinc/20/31/80/549203180.db2.gz SOJRWAPQBABYNZ-GOSISDBHSA-N 2 2 310.445 3.362 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCOCC4(CCCC4)C3)cc2)c[nH+]1 ZINC000681475334 549209889 /nfs/dbraw/zinc/20/98/89/549209889.db2.gz IRXURSINAGUGMX-UHFFFAOYSA-N 2 2 311.429 3.265 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCOCC4(CCCC4)C3)cc2)c[nH+]1 ZINC000681475334 549209893 /nfs/dbraw/zinc/20/98/93/549209893.db2.gz IRXURSINAGUGMX-UHFFFAOYSA-N 2 2 311.429 3.265 20 0 DGADLP c1cn(-c2csc(C[N@@H+]3CCOCC4(CCCC4)C3)c2)c[nH+]1 ZINC000681498401 549214323 /nfs/dbraw/zinc/21/43/23/549214323.db2.gz ZYTZRDPOFAAGHH-UHFFFAOYSA-N 2 2 317.458 3.326 20 0 DGADLP c1cn(-c2csc(C[N@H+]3CCOCC4(CCCC4)C3)c2)c[nH+]1 ZINC000681498401 549214330 /nfs/dbraw/zinc/21/43/30/549214330.db2.gz ZYTZRDPOFAAGHH-UHFFFAOYSA-N 2 2 317.458 3.326 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682072038 549283497 /nfs/dbraw/zinc/28/34/97/549283497.db2.gz QVFMKOUCNWEAIA-GOEBONIOSA-N 2 2 313.449 3.250 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682072038 549283499 /nfs/dbraw/zinc/28/34/99/549283499.db2.gz QVFMKOUCNWEAIA-GOEBONIOSA-N 2 2 313.449 3.250 20 0 DGADLP c1cn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)c[nH+]1 ZINC000682154009 549297441 /nfs/dbraw/zinc/29/74/41/549297441.db2.gz JVUUTIOTNREJHZ-HNNXBMFYSA-N 2 2 313.430 3.172 20 0 DGADLP c1cn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)c[nH+]1 ZINC000682154009 549297444 /nfs/dbraw/zinc/29/74/44/549297444.db2.gz JVUUTIOTNREJHZ-HNNXBMFYSA-N 2 2 313.430 3.172 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682732779 549364226 /nfs/dbraw/zinc/36/42/26/549364226.db2.gz PXHCSAGDKCHJBF-DNVCBOLYSA-N 2 2 314.473 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000682732779 549364228 /nfs/dbraw/zinc/36/42/28/549364228.db2.gz PXHCSAGDKCHJBF-DNVCBOLYSA-N 2 2 314.473 3.492 20 0 DGADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000683025976 549416930 /nfs/dbraw/zinc/41/69/30/549416930.db2.gz YGFPUDAVNXZGQS-FXAWDEMLSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000683025976 549416934 /nfs/dbraw/zinc/41/69/34/549416934.db2.gz YGFPUDAVNXZGQS-FXAWDEMLSA-N 2 2 309.457 3.390 20 0 DGADLP CC[N@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)CCC(F)(F)F ZINC000683140873 549438119 /nfs/dbraw/zinc/43/81/19/549438119.db2.gz GTNVLOPHNUSRSI-UHFFFAOYSA-N 2 2 318.387 3.460 20 0 DGADLP CC[N@@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)CCC(F)(F)F ZINC000683140873 549438121 /nfs/dbraw/zinc/43/81/21/549438121.db2.gz GTNVLOPHNUSRSI-UHFFFAOYSA-N 2 2 318.387 3.460 20 0 DGADLP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000683771729 549534044 /nfs/dbraw/zinc/53/40/44/549534044.db2.gz HZTWKALMZCLSHC-QRFRQXIXSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000683771729 549534047 /nfs/dbraw/zinc/53/40/47/549534047.db2.gz HZTWKALMZCLSHC-QRFRQXIXSA-N 2 2 316.489 3.038 20 0 DGADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccn1 ZINC000683890111 549551238 /nfs/dbraw/zinc/55/12/38/549551238.db2.gz JIPXHWCTIDNGFB-CQSZACIVSA-N 2 2 308.385 3.127 20 0 DGADLP Cc1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000683898315 549552890 /nfs/dbraw/zinc/55/28/90/549552890.db2.gz MJTAAFSLUJIJHK-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000683898315 549552895 /nfs/dbraw/zinc/55/28/95/549552895.db2.gz MJTAAFSLUJIJHK-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000683898315 549552900 /nfs/dbraw/zinc/55/29/00/549552900.db2.gz MJTAAFSLUJIJHK-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000683898315 549552905 /nfs/dbraw/zinc/55/29/05/549552905.db2.gz MJTAAFSLUJIJHK-SFHVURJKSA-N 2 2 313.445 3.245 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000684371985 549621735 /nfs/dbraw/zinc/62/17/35/549621735.db2.gz UDBPCQLMQOOHED-RTBURBONSA-N 2 2 320.452 3.337 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](c2ccnn2C)C(C)C)c[nH+]1 ZINC000684406607 549631312 /nfs/dbraw/zinc/63/13/12/549631312.db2.gz GUJTXYJAGFARPM-KRWDZBQOSA-N 2 2 300.450 3.086 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421688 549756745 /nfs/dbraw/zinc/75/67/45/549756745.db2.gz AEJNKBOQSQIVLU-SOLBZPMBSA-N 3 2 303.494 3.279 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421688 549756747 /nfs/dbraw/zinc/75/67/47/549756747.db2.gz AEJNKBOQSQIVLU-SOLBZPMBSA-N 3 2 303.494 3.279 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421687 549756928 /nfs/dbraw/zinc/75/69/28/549756928.db2.gz AEJNKBOQSQIVLU-JZXOWHBKSA-N 3 2 303.494 3.279 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000685421687 549756932 /nfs/dbraw/zinc/75/69/32/549756932.db2.gz AEJNKBOQSQIVLU-JZXOWHBKSA-N 3 2 303.494 3.279 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC000685464834 549766314 /nfs/dbraw/zinc/76/63/14/549766314.db2.gz PPQUJXWONZVACG-MOPGFXCFSA-N 2 2 302.462 3.461 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC000685464834 549766316 /nfs/dbraw/zinc/76/63/16/549766316.db2.gz PPQUJXWONZVACG-MOPGFXCFSA-N 2 2 302.462 3.461 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000685582724 549777521 /nfs/dbraw/zinc/77/75/21/549777521.db2.gz GTJXNYVOUKOSMQ-VQTJNVASSA-N 2 2 309.457 3.288 20 0 DGADLP CN(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000685582724 549777523 /nfs/dbraw/zinc/77/75/23/549777523.db2.gz GTJXNYVOUKOSMQ-VQTJNVASSA-N 2 2 309.457 3.288 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882066 574944771 /nfs/dbraw/zinc/94/47/71/574944771.db2.gz FWRMROHAFIYRFD-AEFFLSMTSA-N 2 2 323.525 3.020 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882066 574944773 /nfs/dbraw/zinc/94/47/73/574944773.db2.gz FWRMROHAFIYRFD-AEFFLSMTSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882066 574944774 /nfs/dbraw/zinc/94/47/74/574944774.db2.gz FWRMROHAFIYRFD-AEFFLSMTSA-N 2 2 323.525 3.020 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCCCCCC2)C[C@H]1C ZINC000740882066 574944776 /nfs/dbraw/zinc/94/47/76/574944776.db2.gz FWRMROHAFIYRFD-AEFFLSMTSA-N 2 2 323.525 3.020 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@@H](C)[NH+]2CCCCCC2)c1C ZINC000741031486 574949217 /nfs/dbraw/zinc/94/92/17/574949217.db2.gz RMSIKNYOZRCJKC-OAHLLOKOSA-N 2 2 320.433 3.015 20 0 DGADLP CC(C)c1nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000742423743 574999160 /nfs/dbraw/zinc/99/91/60/574999160.db2.gz ZJIIZXRZAORGHH-KRWDZBQOSA-N 2 2 310.445 3.311 20 0 DGADLP CC(C)c1nc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000742423743 574999164 /nfs/dbraw/zinc/99/91/64/574999164.db2.gz ZJIIZXRZAORGHH-KRWDZBQOSA-N 2 2 310.445 3.311 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCN3CCc4ccccc43)cc2)c[nH+]1 ZINC000742717996 575014541 /nfs/dbraw/zinc/01/45/41/575014541.db2.gz IXYNFCAJQHXQGL-UHFFFAOYSA-N 2 2 318.424 3.025 20 0 DGADLP O=C(CCCC[NH+]1CCCC1)Nc1ccccc1-n1cc[nH+]c1 ZINC000729313205 575233726 /nfs/dbraw/zinc/23/37/26/575233726.db2.gz GNAHCLXFAWXCSQ-UHFFFAOYSA-N 2 2 312.417 3.077 20 0 DGADLP C[NH+]1CCC(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)CC1 ZINC000746107580 575432835 /nfs/dbraw/zinc/43/28/35/575432835.db2.gz WSNVHCAJAQNECC-UHFFFAOYSA-N 2 2 314.433 3.141 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670237 575468611 /nfs/dbraw/zinc/46/86/11/575468611.db2.gz YCMOTQUUOFQCGQ-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670237 575468613 /nfs/dbraw/zinc/46/86/13/575468613.db2.gz YCMOTQUUOFQCGQ-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670237 575468615 /nfs/dbraw/zinc/46/86/15/575468615.db2.gz YCMOTQUUOFQCGQ-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000746670237 575468617 /nfs/dbraw/zinc/46/86/17/575468617.db2.gz YCMOTQUUOFQCGQ-YJBOKZPZSA-N 2 2 322.880 3.037 20 0 DGADLP COC1CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000749922706 575688364 /nfs/dbraw/zinc/68/83/64/575688364.db2.gz LUVDSXRIVHYLDB-UHFFFAOYSA-N 2 2 317.408 3.306 20 0 DGADLP Fc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000750045356 575700093 /nfs/dbraw/zinc/70/00/93/575700093.db2.gz QQIHUIUQXPIPKD-UHFFFAOYSA-N 2 2 308.360 3.185 20 0 DGADLP C[C@H]1C[NH+]=C(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)S1 ZINC000750829210 575754731 /nfs/dbraw/zinc/75/47/31/575754731.db2.gz GDEKKPIWCNAGHL-YOEHRIQHSA-N 2 2 315.486 3.173 20 0 DGADLP CC[N@H+](CCc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000725797550 575915433 /nfs/dbraw/zinc/91/54/33/575915433.db2.gz ZZTPQUWZWJGVIE-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP CC[N@@H+](CCc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000725797550 575915434 /nfs/dbraw/zinc/91/54/34/575915434.db2.gz ZZTPQUWZWJGVIE-UHFFFAOYSA-N 2 2 306.413 3.332 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000891822561 617905969 /nfs/dbraw/zinc/90/59/69/617905969.db2.gz CJQALJJRBIMBOJ-INIZCTEOSA-N 2 2 306.450 3.232 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000891822561 617905971 /nfs/dbraw/zinc/90/59/71/617905971.db2.gz CJQALJJRBIMBOJ-INIZCTEOSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000891872891 617916777 /nfs/dbraw/zinc/91/67/77/617916777.db2.gz ZYJHRHNPYCWMSK-UHFFFAOYSA-N 2 2 314.477 3.365 20 0 DGADLP CCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)n1 ZINC000891920981 617926906 /nfs/dbraw/zinc/92/69/06/617926906.db2.gz MOZLEOIUHJGTML-SFHVURJKSA-N 2 2 318.509 3.299 20 0 DGADLP CCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C)n1 ZINC000891920981 617926908 /nfs/dbraw/zinc/92/69/08/617926908.db2.gz MOZLEOIUHJGTML-SFHVURJKSA-N 2 2 318.509 3.299 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106463 617964084 /nfs/dbraw/zinc/96/40/84/617964084.db2.gz WNDZBKYUADEYIN-DOTOQJQBSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106463 617964087 /nfs/dbraw/zinc/96/40/87/617964087.db2.gz WNDZBKYUADEYIN-DOTOQJQBSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106463 617964092 /nfs/dbraw/zinc/96/40/92/617964092.db2.gz WNDZBKYUADEYIN-DOTOQJQBSA-N 2 2 301.478 3.183 20 0 DGADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2c(n1)CCCC2 ZINC000892106463 617964094 /nfs/dbraw/zinc/96/40/94/617964094.db2.gz WNDZBKYUADEYIN-DOTOQJQBSA-N 2 2 301.478 3.183 20 0 DGADLP c1cc2c(c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234838 617991519 /nfs/dbraw/zinc/99/15/19/617991519.db2.gz IZBGKRWIHWNWTI-LPHOPBHVSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234838 617991523 /nfs/dbraw/zinc/99/15/23/617991523.db2.gz IZBGKRWIHWNWTI-LPHOPBHVSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000892234838 617991527 /nfs/dbraw/zinc/99/15/27/617991527.db2.gz IZBGKRWIHWNWTI-LPHOPBHVSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000892234838 617991530 /nfs/dbraw/zinc/99/15/30/617991530.db2.gz IZBGKRWIHWNWTI-LPHOPBHVSA-N 2 2 312.457 3.070 20 0 DGADLP OCC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926427397 618014678 /nfs/dbraw/zinc/01/46/78/618014678.db2.gz ZHPLRLDFVZEKCO-OKZBNKHCSA-N 2 2 322.880 3.370 20 0 DGADLP OCC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000926427397 618014681 /nfs/dbraw/zinc/01/46/81/618014681.db2.gz ZHPLRLDFVZEKCO-OKZBNKHCSA-N 2 2 322.880 3.370 20 0 DGADLP C[C@H]1COC[C@H](C)C1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000926496887 618033126 /nfs/dbraw/zinc/03/31/26/618033126.db2.gz PEIAFQJEOUGSEG-STQMWFEESA-N 2 2 319.836 3.286 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000892430022 618064651 /nfs/dbraw/zinc/06/46/51/618064651.db2.gz YDBZUSLQJIUZOZ-UHFFFAOYSA-N 2 2 313.467 3.136 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892649380 618125903 /nfs/dbraw/zinc/12/59/03/618125903.db2.gz LGGVYUWRDSUZMY-HNNXBMFYSA-N 2 2 307.825 3.447 20 0 DGADLP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C2CCCC2)n1 ZINC000894416291 618319200 /nfs/dbraw/zinc/31/92/00/618319200.db2.gz ANNLOGRKDIAPLN-JWTNVVGKSA-N 2 2 316.493 3.135 20 0 DGADLP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C2CCCC2)n1 ZINC000894416291 618319206 /nfs/dbraw/zinc/31/92/06/618319206.db2.gz ANNLOGRKDIAPLN-JWTNVVGKSA-N 2 2 316.493 3.135 20 0 DGADLP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C2CCCC2)n1 ZINC000894416291 618319212 /nfs/dbraw/zinc/31/92/12/618319212.db2.gz ANNLOGRKDIAPLN-JWTNVVGKSA-N 2 2 316.493 3.135 20 0 DGADLP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C2CCCC2)n1 ZINC000894416291 618319218 /nfs/dbraw/zinc/31/92/18/618319218.db2.gz ANNLOGRKDIAPLN-JWTNVVGKSA-N 2 2 316.493 3.135 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc2[nH]c(=O)oc21 ZINC000894472170 618342123 /nfs/dbraw/zinc/34/21/23/618342123.db2.gz QSJZAPKFECAOAC-UHFFFAOYSA-N 2 2 305.422 3.087 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc2[nH]c(=O)oc21 ZINC000894472170 618342127 /nfs/dbraw/zinc/34/21/27/618342127.db2.gz QSJZAPKFECAOAC-UHFFFAOYSA-N 2 2 305.422 3.087 20 0 DGADLP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)C2)CO1 ZINC000925074397 618355284 /nfs/dbraw/zinc/35/52/84/618355284.db2.gz WKDDSTXOVMLPEZ-IHJVYAAUSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)C2)CO1 ZINC000925074397 618355292 /nfs/dbraw/zinc/35/52/92/618355292.db2.gz WKDDSTXOVMLPEZ-IHJVYAAUSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOC2(CCC2)C1 ZINC000926875170 618364077 /nfs/dbraw/zinc/36/40/77/618364077.db2.gz ARWZQDCUOMXAEY-BZSNNMDCSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@]1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCOC2(CCC2)C1 ZINC000926875170 618364083 /nfs/dbraw/zinc/36/40/83/618364083.db2.gz ARWZQDCUOMXAEY-BZSNNMDCSA-N 2 2 306.494 3.332 20 0 DGADLP CCn1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000894775725 618451485 /nfs/dbraw/zinc/45/14/85/618451485.db2.gz BADCOYRSKNBLJE-UHFFFAOYSA-N 2 2 323.444 3.289 20 0 DGADLP CCn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000894775725 618451489 /nfs/dbraw/zinc/45/14/89/618451489.db2.gz BADCOYRSKNBLJE-UHFFFAOYSA-N 2 2 323.444 3.289 20 0 DGADLP Cc1cc(N2CCC3(CC2)CC[NH+](C)CC3)nc(C2CCC2)[nH+]1 ZINC000894926995 618501020 /nfs/dbraw/zinc/50/10/20/618501020.db2.gz WOZMDYOKJZUPNM-UHFFFAOYSA-N 2 2 314.477 3.365 20 0 DGADLP CC(C)c1nnc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000893332312 618518963 /nfs/dbraw/zinc/51/89/63/618518963.db2.gz QQYFFTZOPJBPHY-UHFFFAOYSA-N 2 2 304.463 3.013 20 0 DGADLP Fc1cnc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925678109 618527489 /nfs/dbraw/zinc/52/74/89/618527489.db2.gz CCBOEVJLEZBQGK-HUUCEWRRSA-N 2 2 311.832 3.132 20 0 DGADLP CC[C@@H]1C[C@@H](CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000895110406 618539544 /nfs/dbraw/zinc/53/95/44/618539544.db2.gz KXXVTOXNNLSDLY-XLAORIBOSA-N 2 2 317.477 3.363 20 0 DGADLP CC[C@@H](C)[C@H](CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)OC ZINC000895111836 618540510 /nfs/dbraw/zinc/54/05/10/618540510.db2.gz LRFDCTQWYTYOJM-VQHPVUNQSA-N 2 2 305.466 3.219 20 0 DGADLP C[C@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895114312 618541227 /nfs/dbraw/zinc/54/12/27/618541227.db2.gz LPAKZJZLNOJFAA-YHUYYLMFSA-N 2 2 305.491 3.442 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)c2ccccc2N=C3C)n1C ZINC000895129171 618545610 /nfs/dbraw/zinc/54/56/10/618545610.db2.gz NTZROQULTIIPDZ-UHFFFAOYSA-N 2 2 308.429 3.368 20 0 DGADLP C[C@@H]1CC2(CC(N(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)C2)CO1 ZINC000895131468 618546812 /nfs/dbraw/zinc/54/68/12/618546812.db2.gz IMVYGOVBAXGKMV-QWDABPKGSA-N 2 2 315.461 3.116 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000895291058 618588648 /nfs/dbraw/zinc/58/86/48/618588648.db2.gz ZDVINJPWVFQAFC-YVWKXTFCSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000895291058 618588652 /nfs/dbraw/zinc/58/86/52/618588652.db2.gz ZDVINJPWVFQAFC-YVWKXTFCSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000895291055 618588743 /nfs/dbraw/zinc/58/87/43/618588743.db2.gz ZDVINJPWVFQAFC-IMFGXOCKSA-N 3 2 315.505 3.284 20 0 DGADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000895291055 618588744 /nfs/dbraw/zinc/58/87/44/618588744.db2.gz ZDVINJPWVFQAFC-IMFGXOCKSA-N 3 2 315.505 3.284 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1F ZINC000925777241 618616458 /nfs/dbraw/zinc/61/64/58/618616458.db2.gz CRRMDXNQIMJOIM-QMTHXVAHSA-N 2 2 304.331 3.250 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000925784073 618619363 /nfs/dbraw/zinc/61/93/63/618619363.db2.gz PIQLSATVNSXLIF-JTNHKYCSSA-N 2 2 300.418 3.302 20 0 DGADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccsc1 ZINC000925790496 618620496 /nfs/dbraw/zinc/62/04/96/618620496.db2.gz HDFWCWDWCJVQQW-HOTGVXAUSA-N 2 2 308.491 3.338 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c(C)c1 ZINC000925793530 618620887 /nfs/dbraw/zinc/62/08/87/618620887.db2.gz IUTKGRFVFUHBHM-DLBZAZTESA-N 2 2 302.462 3.113 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925793249 618620969 /nfs/dbraw/zinc/62/09/69/618620969.db2.gz HYDOTJDDDMOBAY-IRXDYDNUSA-N 2 2 302.462 3.113 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c(C)s1 ZINC000925797719 618621891 /nfs/dbraw/zinc/62/18/91/618621891.db2.gz VEHAQEJWXBDYGN-UKRRQHHQSA-N 2 2 308.491 3.174 20 0 DGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c(C)s1 ZINC000925797718 618621937 /nfs/dbraw/zinc/62/19/37/618621937.db2.gz VEHAQEJWXBDYGN-HIFRSBDPSA-N 2 2 308.491 3.174 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(C)cc1 ZINC000925798342 618622341 /nfs/dbraw/zinc/62/23/41/618622341.db2.gz WCYIUJPAVWGAJC-ZWKOTPCHSA-N 2 2 302.462 3.194 20 0 DGADLP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C2CCC2)[nH+]1 ZINC000893833979 618664269 /nfs/dbraw/zinc/66/42/69/618664269.db2.gz SQLODLRUINTXRZ-XYPWUTKMSA-N 2 2 300.450 3.114 20 0 DGADLP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C2CCC2)[nH+]1 ZINC000893833979 618664271 /nfs/dbraw/zinc/66/42/71/618664271.db2.gz SQLODLRUINTXRZ-XYPWUTKMSA-N 2 2 300.450 3.114 20 0 DGADLP COc1cc(C)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1OC ZINC000893981612 618687029 /nfs/dbraw/zinc/68/70/29/618687029.db2.gz VLCSHVKRSZGIIY-UHFFFAOYSA-N 2 2 315.417 3.115 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044866 618698753 /nfs/dbraw/zinc/69/87/53/618698753.db2.gz LVIRMHCQOLLNAX-DOTOQJQBSA-N 2 2 320.477 3.317 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044866 618698756 /nfs/dbraw/zinc/69/87/56/618698756.db2.gz LVIRMHCQOLLNAX-DOTOQJQBSA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044866 618698757 /nfs/dbraw/zinc/69/87/57/618698757.db2.gz LVIRMHCQOLLNAX-DOTOQJQBSA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@@H]1C ZINC000894044866 618698759 /nfs/dbraw/zinc/69/87/59/618698759.db2.gz LVIRMHCQOLLNAX-DOTOQJQBSA-N 2 2 320.477 3.317 20 0 DGADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000894080650 618706924 /nfs/dbraw/zinc/70/69/24/618706924.db2.gz MMEWFNDVWQESOB-UHFFFAOYSA-N 2 2 302.374 3.035 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894173031 618724254 /nfs/dbraw/zinc/72/42/54/618724254.db2.gz DXALPUWWLGFIJF-SNVBAGLBSA-N 2 2 306.822 3.325 20 0 DGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(OC)n1 ZINC000924925038 618739722 /nfs/dbraw/zinc/73/97/22/618739722.db2.gz FIJXERMMMNGGKJ-HNNXBMFYSA-N 2 2 314.433 3.418 20 0 DGADLP Cc1ncoc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000894328387 618765337 /nfs/dbraw/zinc/76/53/37/618765337.db2.gz YLUFHUIBVWBNAW-HUUCEWRRSA-N 2 2 313.445 3.229 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381291 618776402 /nfs/dbraw/zinc/77/64/02/618776402.db2.gz SIGYVPRAYOFAMK-CZUORRHYSA-N 2 2 317.433 3.086 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381291 618776403 /nfs/dbraw/zinc/77/64/03/618776403.db2.gz SIGYVPRAYOFAMK-CZUORRHYSA-N 2 2 317.433 3.086 20 0 DGADLP Cc1noc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)cc12 ZINC000895381805 618776559 /nfs/dbraw/zinc/77/65/59/618776559.db2.gz WQCOZFYUYPXIDT-SUMWQHHRSA-N 2 2 316.449 3.083 20 0 DGADLP Cc1noc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)cc12 ZINC000895381805 618776562 /nfs/dbraw/zinc/77/65/62/618776562.db2.gz WQCOZFYUYPXIDT-SUMWQHHRSA-N 2 2 316.449 3.083 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672088 618816432 /nfs/dbraw/zinc/81/64/32/618816432.db2.gz OQJASCQGOSZPSO-RLLQIKCJSA-N 2 2 313.489 3.038 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000895672088 618816435 /nfs/dbraw/zinc/81/64/35/618816435.db2.gz OQJASCQGOSZPSO-RLLQIKCJSA-N 2 2 313.489 3.038 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000895822521 618836076 /nfs/dbraw/zinc/83/60/76/618836076.db2.gz NWFJJZSQZUJRFW-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccnn1CC1CCC1 ZINC000925167287 619063622 /nfs/dbraw/zinc/06/36/22/619063622.db2.gz BSKBNHJUQIORRZ-GDBMZVCRSA-N 2 2 313.449 3.108 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000925178176 619067052 /nfs/dbraw/zinc/06/70/52/619067052.db2.gz HWPNYQUOQHHVHI-APWZRJJASA-N 2 2 320.440 3.320 20 0 DGADLP Clc1ccnc2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000925230722 619087016 /nfs/dbraw/zinc/08/70/16/619087016.db2.gz CXBNMXGAPJROFQ-AWEZNQCLSA-N 2 2 302.809 3.209 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000897793537 619183133 /nfs/dbraw/zinc/18/31/33/619183133.db2.gz AJAYZZOQYQOEFP-HNNXBMFYSA-N 2 2 305.491 3.314 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924623846 619246937 /nfs/dbraw/zinc/24/69/37/619246937.db2.gz SJMDIGFFHBRSTI-RTBURBONSA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924623846 619246939 /nfs/dbraw/zinc/24/69/39/619246939.db2.gz SJMDIGFFHBRSTI-RTBURBONSA-N 2 2 309.457 3.384 20 0 DGADLP COc1ccnc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000924624012 619247057 /nfs/dbraw/zinc/24/70/57/619247057.db2.gz KITZVHYVUVAOLP-HNNXBMFYSA-N 2 2 322.412 3.186 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccccc1C(F)(F)F)C[NH+](C)C ZINC000926961668 619252912 /nfs/dbraw/zinc/25/29/12/619252912.db2.gz KAJHVVFSVVAMKR-STQMWFEESA-N 2 2 318.383 3.323 20 0 DGADLP CCO[C@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[NH+](C)C ZINC000926963484 619253240 /nfs/dbraw/zinc/25/32/40/619253240.db2.gz UNXLCRJRSZJHPU-MOPGFXCFSA-N 2 2 319.493 3.259 20 0 DGADLP CCO[C@@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)C[NH+](C)C ZINC000926965673 619253543 /nfs/dbraw/zinc/25/35/43/619253543.db2.gz RXEJWNSPUQDMMY-SGMGOOAPSA-N 2 2 314.520 3.230 20 0 DGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000926965676 619253819 /nfs/dbraw/zinc/25/38/19/619253819.db2.gz RXTNSQJXHMPPQI-WCQYABFASA-N 2 2 302.821 3.096 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706592 619261608 /nfs/dbraw/zinc/26/16/08/619261608.db2.gz QEKBOHRTLBXVKA-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924706592 619261611 /nfs/dbraw/zinc/26/16/11/619261611.db2.gz QEKBOHRTLBXVKA-FXAWDEMLSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)[NH+]1CCCCC1 ZINC000924727338 619268216 /nfs/dbraw/zinc/26/82/16/619268216.db2.gz UMBKOWWWFQBDIG-LMMKCTJWSA-N 2 2 301.478 3.257 20 0 DGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(O)cc(F)c1 ZINC000924730143 619268824 /nfs/dbraw/zinc/26/88/24/619268824.db2.gz OZRWJURSYIKYTG-MLGOLLRUSA-N 2 2 305.397 3.493 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138753 619288238 /nfs/dbraw/zinc/28/82/38/619288238.db2.gz GGOIXHHJLNLHNT-TYNCELHUSA-N 2 2 308.853 3.408 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Cl)cc2c1OCC2 ZINC000927138753 619288241 /nfs/dbraw/zinc/28/82/41/619288241.db2.gz GGOIXHHJLNLHNT-TYNCELHUSA-N 2 2 308.853 3.408 20 0 DGADLP Cn1c[nH+]cc1CNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874698 619379822 /nfs/dbraw/zinc/37/98/22/619379822.db2.gz IYWNTEUJVVZOAV-UHFFFAOYSA-N 2 2 322.290 3.479 20 0 DGADLP CCn1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000902267371 619613038 /nfs/dbraw/zinc/61/30/38/619613038.db2.gz VQHMQSGRVVNNMR-PBHICJAKSA-N 2 2 318.490 3.137 20 0 DGADLP CCn1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000902267371 619613040 /nfs/dbraw/zinc/61/30/40/619613040.db2.gz VQHMQSGRVVNNMR-PBHICJAKSA-N 2 2 318.490 3.137 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902437032 619635689 /nfs/dbraw/zinc/63/56/89/619635689.db2.gz GQPWDPDDZYGZEL-TUGJPZLJSA-N 2 2 310.441 3.402 20 0 DGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440244 619636552 /nfs/dbraw/zinc/63/65/52/619636552.db2.gz XTBJSNWQQIVJCM-CJMONDIMSA-N 2 2 320.440 3.098 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902441138 619636688 /nfs/dbraw/zinc/63/66/88/619636688.db2.gz CIEJFGIRERLLCR-JSNMRZPZSA-N 2 2 310.441 3.231 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(Br)c1 ZINC000902472701 619637988 /nfs/dbraw/zinc/63/79/88/619637988.db2.gz FSOYKPJZMXCPCH-CBBWQLFWSA-N 2 2 309.251 3.383 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902450152 619639854 /nfs/dbraw/zinc/63/98/54/619639854.db2.gz RIQRNJXTIOOHEH-TYNCELHUSA-N 2 2 303.475 3.376 20 0 DGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902468919 619642288 /nfs/dbraw/zinc/64/22/88/619642288.db2.gz YFZHAHDQTPGJKO-GFOJFJKKSA-N 2 2 322.452 3.462 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000902491196 619642553 /nfs/dbraw/zinc/64/25/53/619642553.db2.gz PXCIZJKYTUYMTI-NSHDSACASA-N 2 2 313.430 3.070 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cnn(CC2CCC2)c1 ZINC000902506631 619644492 /nfs/dbraw/zinc/64/44/92/619644492.db2.gz YZPYYDXGRPXCPI-FASAQXTFSA-N 2 2 310.445 3.479 20 0 DGADLP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)ccc1OC ZINC000902483600 619645742 /nfs/dbraw/zinc/64/57/42/619645742.db2.gz SBXBNWLYIPUZEB-PBHICJAKSA-N 2 2 306.450 3.024 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753484 619670195 /nfs/dbraw/zinc/67/01/95/619670195.db2.gz QENCXEUHRDDGLY-FPMFFAJLSA-N 2 2 313.367 3.378 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cn1 ZINC000902753484 619670198 /nfs/dbraw/zinc/67/01/98/619670198.db2.gz QENCXEUHRDDGLY-FPMFFAJLSA-N 2 2 313.367 3.378 20 0 DGADLP CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902800127 619678608 /nfs/dbraw/zinc/67/86/08/619678608.db2.gz JTJNSRNXYGDRAU-RDTXWAMCSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902810505 619680674 /nfs/dbraw/zinc/68/06/74/619680674.db2.gz VRSXUPLNNZTQCY-JLCFBVMHSA-N 2 2 319.474 3.070 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902850163 619683964 /nfs/dbraw/zinc/68/39/64/619683964.db2.gz JXKRSIGVXAHVKO-OAHLLOKOSA-N 2 2 301.434 3.322 20 0 DGADLP Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000902881364 619687667 /nfs/dbraw/zinc/68/76/67/619687667.db2.gz OZECTOLDZNJYTA-ZFWWWQNUSA-N 2 2 309.417 3.186 20 0 DGADLP CCC(CC)(CO)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902886641 619688425 /nfs/dbraw/zinc/68/84/25/619688425.db2.gz QRCQBCKANYOYOW-OAHLLOKOSA-N 2 2 301.434 3.322 20 0 DGADLP Cc1cccnc1CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903008524 619704126 /nfs/dbraw/zinc/70/41/26/619704126.db2.gz QAIFVHWOAMLYKE-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085721 619713501 /nfs/dbraw/zinc/71/35/01/619713501.db2.gz YWVDUJXFKNOYTM-HNAYVOBHSA-N 2 2 313.445 3.464 20 0 DGADLP c1cc2c(nc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CCCC2 ZINC000903159280 619727297 /nfs/dbraw/zinc/72/72/97/619727297.db2.gz FGNWAVDHYIGCDM-JLYLLQBASA-N 2 2 311.473 3.208 20 0 DGADLP c1cc2c(nc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CCCC2 ZINC000903159280 619727299 /nfs/dbraw/zinc/72/72/99/619727299.db2.gz FGNWAVDHYIGCDM-JLYLLQBASA-N 2 2 311.473 3.208 20 0 DGADLP COCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccco1 ZINC000903148137 619728733 /nfs/dbraw/zinc/72/87/33/619728733.db2.gz XLGBEORIVIFXEV-CVGRLMLNSA-N 2 2 304.434 3.105 20 0 DGADLP COCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903148137 619728735 /nfs/dbraw/zinc/72/87/35/619728735.db2.gz XLGBEORIVIFXEV-CVGRLMLNSA-N 2 2 304.434 3.105 20 0 DGADLP CO[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000903177522 619730659 /nfs/dbraw/zinc/73/06/59/619730659.db2.gz ONTCKQDCCMDMIH-HOCLYGCPSA-N 2 2 305.809 3.183 20 0 DGADLP CO[C@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCSC1 ZINC000903309228 619757130 /nfs/dbraw/zinc/75/71/30/619757130.db2.gz DSGAOWDTPGQURI-YOEHRIQHSA-N 2 2 317.458 3.045 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1cccnc1 ZINC000903376590 619767747 /nfs/dbraw/zinc/76/77/47/619767747.db2.gz FWTKQOAHKGFLRA-FHWLQOOXSA-N 2 2 317.477 3.012 20 0 DGADLP COC1([C@H](C)[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCCC1 ZINC000903376144 619767947 /nfs/dbraw/zinc/76/79/47/619767947.db2.gz ADAKKXFBHZVCNM-RDJZCZTQSA-N 2 2 305.466 3.012 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000903458841 619776792 /nfs/dbraw/zinc/77/67/92/619776792.db2.gz LOFCFAHEZDSNHC-XUWXXGDYSA-N 2 2 315.848 3.270 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)n1 ZINC000903483190 619781109 /nfs/dbraw/zinc/78/11/09/619781109.db2.gz FVQFGOUPKIZZOL-IBGZPJMESA-N 2 2 324.472 3.253 20 0 DGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)n1 ZINC000903483191 619781249 /nfs/dbraw/zinc/78/12/49/619781249.db2.gz FVQFGOUPKIZZOL-LJQANCHMSA-N 2 2 324.472 3.253 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2noc3c2CCCC3)CCC1 ZINC000903813081 619818490 /nfs/dbraw/zinc/81/84/90/619818490.db2.gz CQXVFZPZLYWOJQ-KRWDZBQOSA-N 2 2 303.450 3.037 20 0 DGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2noc3c2CCCC3)CCC1 ZINC000903813081 619818492 /nfs/dbraw/zinc/81/84/92/619818492.db2.gz CQXVFZPZLYWOJQ-KRWDZBQOSA-N 2 2 303.450 3.037 20 0 DGADLP O=C(c1ccccc1Cl)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000903831131 619821077 /nfs/dbraw/zinc/82/10/77/619821077.db2.gz FAOFYKRNLKOSDH-UHFFFAOYSA-N 2 2 320.864 3.377 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000903915112 619831424 /nfs/dbraw/zinc/83/14/24/619831424.db2.gz NBABPSHEAMDWNU-DOMZBBRYSA-N 2 2 300.368 3.378 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000903915112 619831427 /nfs/dbraw/zinc/83/14/27/619831427.db2.gz NBABPSHEAMDWNU-DOMZBBRYSA-N 2 2 300.368 3.378 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904026 619832067 /nfs/dbraw/zinc/83/20/67/619832067.db2.gz ZIMODWKKUBSDSF-YQQQUEKLSA-N 3 2 315.505 3.017 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904026 619832070 /nfs/dbraw/zinc/83/20/70/619832070.db2.gz ZIMODWKKUBSDSF-YQQQUEKLSA-N 3 2 315.505 3.017 20 0 DGADLP [NH3+][C@H](C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1)CC(F)F ZINC000903932175 619836624 /nfs/dbraw/zinc/83/66/24/619836624.db2.gz NPAHBAAWJKQCCL-NSHDSACASA-N 2 2 308.294 3.267 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000903945753 619843082 /nfs/dbraw/zinc/84/30/82/619843082.db2.gz YCDQQMINBXZTMP-ZJUUUORDSA-N 2 2 319.396 3.081 20 0 DGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000903945753 619843085 /nfs/dbraw/zinc/84/30/85/619843085.db2.gz YCDQQMINBXZTMP-ZJUUUORDSA-N 2 2 319.396 3.081 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000903954544 619846467 /nfs/dbraw/zinc/84/64/67/619846467.db2.gz DWDPKYJTGHIULZ-SNVBAGLBSA-N 2 2 314.763 3.421 20 0 DGADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000903955557 619846475 /nfs/dbraw/zinc/84/64/75/619846475.db2.gz VKZGYKKERXPMKH-OAHLLOKOSA-N 2 2 324.415 3.342 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C1CCCCC1 ZINC000842476772 620457284 /nfs/dbraw/zinc/45/72/84/620457284.db2.gz VHIJLGCPCMYFFH-GFCCVEGCSA-N 2 2 302.249 3.386 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921513863 620894675 /nfs/dbraw/zinc/89/46/75/620894675.db2.gz LYSKRUQESWJKJE-UHFFFAOYSA-N 2 2 301.434 3.324 20 0 DGADLP Cc1cnc(Cl)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000921579624 620910399 /nfs/dbraw/zinc/91/03/99/620910399.db2.gz RSPZYQRDTYMPCL-CQSZACIVSA-N 2 2 306.841 3.444 20 0 DGADLP CC(C)(C)c1coc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000921579671 620910502 /nfs/dbraw/zinc/91/05/02/620910502.db2.gz SIUVUDSOCJRPIV-CYBMUJFWSA-N 2 2 304.438 3.373 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cnn(CC3CCC3)c2)c[nH+]1 ZINC000921591550 620911209 /nfs/dbraw/zinc/91/12/09/620911209.db2.gz WIRIFEYLHHYUFC-UHFFFAOYSA-N 2 2 321.428 3.159 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2)[nH+]c1C ZINC000921664860 620929365 /nfs/dbraw/zinc/92/93/65/620929365.db2.gz SKGDFPXQMFDTEP-MRXNPFEDSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2)[nH+]c1C ZINC000921664860 620929368 /nfs/dbraw/zinc/92/93/68/620929368.db2.gz SKGDFPXQMFDTEP-MRXNPFEDSA-N 2 2 312.417 3.116 20 0 DGADLP CSCc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000921793570 620950913 /nfs/dbraw/zinc/95/09/13/620950913.db2.gz CFLUFBKUOIZKNT-INIZCTEOSA-N 2 2 301.459 3.413 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n(C2CCC2)n1 ZINC000921814691 620953960 /nfs/dbraw/zinc/95/39/60/620953960.db2.gz BLNWIOQRHYRQSD-UHFFFAOYSA-N 2 2 302.466 3.105 20 0 DGADLP c1cn(C[C@@H]([NH2+]Cc2cccc3c2OCC3)c2ccccc2)c[nH+]1 ZINC000922336169 621026494 /nfs/dbraw/zinc/02/64/94/621026494.db2.gz ROIRZSPNCHDPBW-LJQANCHMSA-N 2 2 319.408 3.349 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCCc4cccnc43)c2)c[nH+]1 ZINC000922877694 621111750 /nfs/dbraw/zinc/11/17/50/621111750.db2.gz PWWSSBLSGXTXGF-MRXNPFEDSA-N 2 2 310.426 3.496 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CC[C@@H]3CCC4(CCC4)O3)cc2)c[nH+]1 ZINC000922969952 621141271 /nfs/dbraw/zinc/14/12/71/621141271.db2.gz XQYNYYROBCVALG-SFHVURJKSA-N 2 2 311.429 3.454 20 0 DGADLP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922988472 621144329 /nfs/dbraw/zinc/14/43/29/621144329.db2.gz RIESYXVEQSGMBV-UXHICEINSA-N 2 2 319.408 3.010 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000858361980 621181317 /nfs/dbraw/zinc/18/13/17/621181317.db2.gz JRELVWVOQXOEKC-KFKAGJAMSA-N 2 2 302.462 3.324 20 0 DGADLP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000858361980 621181318 /nfs/dbraw/zinc/18/13/18/621181318.db2.gz JRELVWVOQXOEKC-KFKAGJAMSA-N 2 2 302.462 3.324 20 0 DGADLP Clc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923507605 621190334 /nfs/dbraw/zinc/19/03/34/621190334.db2.gz QNQKVSWVEPYFEL-LBPRGKRZSA-N 2 2 313.898 3.398 20 0 DGADLP C[N@H+](Cc1ccnc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000859191642 621258863 /nfs/dbraw/zinc/25/88/63/621258863.db2.gz AVZJCGLQDWMGPI-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP C[N@@H+](Cc1ccnc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000859191642 621258867 /nfs/dbraw/zinc/25/88/67/621258867.db2.gz AVZJCGLQDWMGPI-UHFFFAOYSA-N 2 2 313.420 3.317 20 0 DGADLP Fc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccn1 ZINC000859246479 621264681 /nfs/dbraw/zinc/26/46/81/621264681.db2.gz KHNUFFMXJKQBNP-UHFFFAOYSA-N 2 2 302.397 3.110 20 0 DGADLP COCC(C)(C)C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000755192354 621557782 /nfs/dbraw/zinc/55/77/82/621557782.db2.gz APCWIMRTNIKIRB-UHFFFAOYSA-N 2 2 319.493 3.302 20 0 DGADLP CC[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000806141064 621616324 /nfs/dbraw/zinc/61/63/24/621616324.db2.gz FNWZFHSSVNIOSJ-KXBFYZLASA-N 2 2 301.478 3.500 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000756925668 621673295 /nfs/dbraw/zinc/67/32/95/621673295.db2.gz FTXUSEZJCCELFR-XIRDDKMYSA-N 2 2 320.502 3.312 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000756925668 621673296 /nfs/dbraw/zinc/67/32/96/621673296.db2.gz FTXUSEZJCCELFR-XIRDDKMYSA-N 2 2 320.502 3.312 20 0 DGADLP COC1(C[C@H](C)[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000760014150 621910430 /nfs/dbraw/zinc/91/04/30/621910430.db2.gz HBFPDYPRUZVEGX-INIZCTEOSA-N 2 2 317.477 3.198 20 0 DGADLP c1nc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cn1C1CC1 ZINC000865404999 621911901 /nfs/dbraw/zinc/91/19/01/621911901.db2.gz PYXQBHAQMBKTQV-UHFFFAOYSA-N 2 2 324.472 3.494 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865417362 621915727 /nfs/dbraw/zinc/91/57/27/621915727.db2.gz IHHQDLISBPFREL-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865417362 621915731 /nfs/dbraw/zinc/91/57/31/621915731.db2.gz IHHQDLISBPFREL-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865446567 621923162 /nfs/dbraw/zinc/92/31/62/621923162.db2.gz VOUXINAZIOXASL-UHFFFAOYSA-N 2 2 305.422 3.135 20 0 DGADLP Fc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cnc1Cl ZINC000865446675 621923242 /nfs/dbraw/zinc/92/32/42/621923242.db2.gz YMDWFCFLHOHART-UHFFFAOYSA-N 2 2 308.788 3.251 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)cc2)c[nH+]1 ZINC000865761991 621990529 /nfs/dbraw/zinc/99/05/29/621990529.db2.gz UJCSWBRFIVSWNX-PKOBYXMFSA-N 2 2 311.429 3.167 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(ccnc2Cl)o1 ZINC000866343499 622098411 /nfs/dbraw/zinc/09/84/11/622098411.db2.gz MWQFBJPNKQUGMK-MNOVXSKESA-N 2 2 316.792 3.343 20 0 DGADLP C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866635723 622151469 /nfs/dbraw/zinc/15/14/69/622151469.db2.gz CXYRFIKGCZKWGY-HNAYVOBHSA-N 2 2 313.445 3.464 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC000764464871 622195604 /nfs/dbraw/zinc/19/56/04/622195604.db2.gz RDWSWKKPRILQDH-JENIJYKNSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCCn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000764475085 622196473 /nfs/dbraw/zinc/19/64/73/622196473.db2.gz BTJDNBINWRHOBL-HNNXBMFYSA-N 2 2 309.417 3.118 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000766223472 622313521 /nfs/dbraw/zinc/31/35/21/622313521.db2.gz OCWLHPOAUWITSE-CWLKWCNXSA-N 2 2 319.518 3.166 20 0 DGADLP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000766223472 622313523 /nfs/dbraw/zinc/31/35/23/622313523.db2.gz OCWLHPOAUWITSE-CWLKWCNXSA-N 2 2 319.518 3.166 20 0 DGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCO2 ZINC000766438609 622329728 /nfs/dbraw/zinc/32/97/28/622329728.db2.gz OJELWVMWZDXJQJ-SJLPKXTDSA-N 2 2 320.502 3.100 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000767414911 622397055 /nfs/dbraw/zinc/39/70/55/622397055.db2.gz LHDDPGPDMHSIQP-VQIMIIECSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000767414911 622397060 /nfs/dbraw/zinc/39/70/60/622397060.db2.gz LHDDPGPDMHSIQP-VQIMIIECSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414911 622397063 /nfs/dbraw/zinc/39/70/63/622397063.db2.gz LHDDPGPDMHSIQP-VQIMIIECSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000767414911 622397068 /nfs/dbraw/zinc/39/70/68/622397068.db2.gz LHDDPGPDMHSIQP-VQIMIIECSA-N 2 2 314.473 3.341 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000122799145 622407128 /nfs/dbraw/zinc/40/71/28/622407128.db2.gz CXJZTEOCBFVYJJ-DOMZBBRYSA-N 2 2 303.837 3.447 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000122799145 622407130 /nfs/dbraw/zinc/40/71/30/622407130.db2.gz CXJZTEOCBFVYJJ-DOMZBBRYSA-N 2 2 303.837 3.447 20 0 DGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000122980006 622439156 /nfs/dbraw/zinc/43/91/56/622439156.db2.gz YHXCUCOMVZCCRD-CVEARBPZSA-N 2 2 320.477 3.099 20 0 DGADLP CC1(C)OCc2cc(C[NH2+]CCCCn3cc[nH+]c3)ccc2O1 ZINC000769492979 622534089 /nfs/dbraw/zinc/53/40/89/622534089.db2.gz WEXKZDOTHPVQLN-UHFFFAOYSA-N 2 2 315.417 3.098 20 0 DGADLP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462063 622762569 /nfs/dbraw/zinc/76/25/69/622762569.db2.gz HRNBOQZKLVJOLY-FXAWDEMLSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462063 622762573 /nfs/dbraw/zinc/76/25/73/622762573.db2.gz HRNBOQZKLVJOLY-FXAWDEMLSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462063 622762578 /nfs/dbraw/zinc/76/25/78/622762578.db2.gz HRNBOQZKLVJOLY-FXAWDEMLSA-N 2 2 324.468 3.099 20 0 DGADLP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000771462063 622762581 /nfs/dbraw/zinc/76/25/81/622762581.db2.gz HRNBOQZKLVJOLY-FXAWDEMLSA-N 2 2 324.468 3.099 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000872087530 622797874 /nfs/dbraw/zinc/79/78/74/622797874.db2.gz JFFWVWASTNJFFS-AEFFLSMTSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000872087530 622797877 /nfs/dbraw/zinc/79/78/77/622797877.db2.gz JFFWVWASTNJFFS-AEFFLSMTSA-N 2 2 306.494 3.475 20 0 DGADLP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2C1 ZINC000872143335 622832090 /nfs/dbraw/zinc/83/20/90/622832090.db2.gz OUMMYEIQOGWUSC-WMLDXEAASA-N 2 2 317.477 3.154 20 0 DGADLP CC1(C)CCc2onc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2C1 ZINC000872143335 622832095 /nfs/dbraw/zinc/83/20/95/622832095.db2.gz OUMMYEIQOGWUSC-WMLDXEAASA-N 2 2 317.477 3.154 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000773093662 622982800 /nfs/dbraw/zinc/98/28/00/622982800.db2.gz FOAXILXZAMQHNM-NVXWUHKLSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000773093662 622982806 /nfs/dbraw/zinc/98/28/06/622982806.db2.gz FOAXILXZAMQHNM-NVXWUHKLSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(F)n3)CC2)C1 ZINC000773096963 622982955 /nfs/dbraw/zinc/98/29/55/622982955.db2.gz RKJBUVFLSJXPCK-PBHICJAKSA-N 2 2 305.441 3.353 20 0 DGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(F)n3)CC2)C1 ZINC000773097308 622984197 /nfs/dbraw/zinc/98/41/97/622984197.db2.gz RKJBUVFLSJXPCK-YOEHRIQHSA-N 2 2 305.441 3.353 20 0 DGADLP c1cc([C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cs1 ZINC000873208307 623076427 /nfs/dbraw/zinc/07/64/27/623076427.db2.gz SXQUHHBCJRDWAQ-OAHLLOKOSA-N 2 2 320.483 3.029 20 0 DGADLP c1cc([C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cs1 ZINC000873208307 623076432 /nfs/dbraw/zinc/07/64/32/623076432.db2.gz SXQUHHBCJRDWAQ-OAHLLOKOSA-N 2 2 320.483 3.029 20 0 DGADLP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)s2)cc1 ZINC000873228190 623082529 /nfs/dbraw/zinc/08/25/29/623082529.db2.gz QCWRZWAEKRIAMR-MAUKXSAKSA-N 2 2 313.470 3.160 20 0 DGADLP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)s2)cc1 ZINC000873228190 623082531 /nfs/dbraw/zinc/08/25/31/623082531.db2.gz QCWRZWAEKRIAMR-MAUKXSAKSA-N 2 2 313.470 3.160 20 0 DGADLP FC(F)(F)COc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873229626 623082803 /nfs/dbraw/zinc/08/28/03/623082803.db2.gz CUDDRMNTFAUALM-HUUCEWRRSA-N 2 2 314.351 3.002 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000873273809 623101029 /nfs/dbraw/zinc/10/10/29/623101029.db2.gz MVVUZVMKCNRIPG-DXEWXGHRSA-N 2 2 308.853 3.290 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000873273811 623101033 /nfs/dbraw/zinc/10/10/33/623101033.db2.gz MVVUZVMKCNRIPG-YYQUZTFQSA-N 2 2 308.853 3.290 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000774351028 623135482 /nfs/dbraw/zinc/13/54/82/623135482.db2.gz TWGDOQVPKDBISH-HMQMGEFJSA-N 2 2 302.466 3.056 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000774351028 623135488 /nfs/dbraw/zinc/13/54/88/623135488.db2.gz TWGDOQVPKDBISH-HMQMGEFJSA-N 2 2 302.466 3.056 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000774351030 623135755 /nfs/dbraw/zinc/13/57/55/623135755.db2.gz TWGDOQVPKDBISH-NPYXIHBLSA-N 2 2 302.466 3.056 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000774351030 623135756 /nfs/dbraw/zinc/13/57/56/623135756.db2.gz TWGDOQVPKDBISH-NPYXIHBLSA-N 2 2 302.466 3.056 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440284 623275028 /nfs/dbraw/zinc/27/50/28/623275028.db2.gz KUPUYZSQRFSXNL-XLIONFOSSA-N 2 2 316.489 3.476 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775440284 623275032 /nfs/dbraw/zinc/27/50/32/623275032.db2.gz KUPUYZSQRFSXNL-XLIONFOSSA-N 2 2 316.489 3.476 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1N1CCCCC1 ZINC000775930055 623352090 /nfs/dbraw/zinc/35/20/90/623352090.db2.gz OSANVSGHPRHFCY-UHFFFAOYSA-N 2 2 312.461 3.396 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1N1CCCCC1 ZINC000775930055 623352092 /nfs/dbraw/zinc/35/20/92/623352092.db2.gz OSANVSGHPRHFCY-UHFFFAOYSA-N 2 2 312.461 3.396 20 0 DGADLP Clc1ccc(OC[C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000775930934 623352972 /nfs/dbraw/zinc/35/29/72/623352972.db2.gz KSEMVWSJBSQSME-INIZCTEOSA-N 2 2 319.836 3.470 20 0 DGADLP Clc1ccc(OC[C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000775930934 623352978 /nfs/dbraw/zinc/35/29/78/623352978.db2.gz KSEMVWSJBSQSME-INIZCTEOSA-N 2 2 319.836 3.470 20 0 DGADLP CCC1(CC)[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C[C@@H]1OC ZINC000776156945 623384763 /nfs/dbraw/zinc/38/47/63/623384763.db2.gz OMLWXYHNNJJVSN-OAGGEKHMSA-N 2 2 307.482 3.481 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000777242743 623508227 /nfs/dbraw/zinc/50/82/27/623508227.db2.gz PHNMIPMHOAFJAE-OAHLLOKOSA-N 2 2 323.431 3.499 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2ccc([NH+](C)C)cc2)[C@H](C)C1 ZINC000777602585 623547432 /nfs/dbraw/zinc/54/74/32/623547432.db2.gz SJSSHFMVURMAMK-APWZRJJASA-N 2 2 319.493 3.302 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2ccc([NH+](C)C)cc2)[C@H](C)C1 ZINC000777602585 623547434 /nfs/dbraw/zinc/54/74/34/623547434.db2.gz SJSSHFMVURMAMK-APWZRJJASA-N 2 2 319.493 3.302 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3ccc4c(c3)COC4)CC2)[nH+]c1 ZINC000778222929 623627678 /nfs/dbraw/zinc/62/76/78/623627678.db2.gz DRXPIJDAFNBTQM-UHFFFAOYSA-N 2 2 309.413 3.188 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)cn2c1 ZINC000790530134 625665431 /nfs/dbraw/zinc/66/54/31/625665431.db2.gz IATFBEVYPVSWRO-INIZCTEOSA-N 2 2 311.433 3.044 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)c2)[nH+]c1C ZINC000876735612 623692114 /nfs/dbraw/zinc/69/21/14/623692114.db2.gz GSSBRNISDDMTDU-LSDHHAIUSA-N 2 2 312.417 3.005 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)/C=C/[C@@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737498 623692171 /nfs/dbraw/zinc/69/21/71/623692171.db2.gz RRXBEKFGDXVDFK-HVHJFMEUSA-N 2 2 324.428 3.188 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)C=C[C@@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000876737498 623692174 /nfs/dbraw/zinc/69/21/74/623692174.db2.gz RRXBEKFGDXVDFK-HVHJFMEUSA-N 2 2 324.428 3.188 20 0 DGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCO2 ZINC000779065252 623726737 /nfs/dbraw/zinc/72/67/37/623726737.db2.gz MCDXRRWGWVRTRQ-IAGOWNOFSA-N 2 2 311.429 3.264 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cnn1-c1ccccc1 ZINC000779067401 623726745 /nfs/dbraw/zinc/72/67/45/623726745.db2.gz WUTTZQBVOYNQBI-HOCLYGCPSA-N 2 2 321.428 3.043 20 0 DGADLP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000779508816 623775731 /nfs/dbraw/zinc/77/57/31/623775731.db2.gz BOGVLCHJYQJHBV-FAEJEUNOSA-N 3 2 312.461 3.396 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000877081197 623786512 /nfs/dbraw/zinc/78/65/12/623786512.db2.gz WZTVERQIUFCSQF-UHFFFAOYSA-N 2 2 308.857 3.017 20 0 DGADLP COc1c(C)cnc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000877315258 623849979 /nfs/dbraw/zinc/84/99/79/623849979.db2.gz LZXMFPOVVLXZCA-OAHLLOKOSA-N 2 2 305.466 3.061 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)cc1F ZINC000877528039 623926278 /nfs/dbraw/zinc/92/62/78/623926278.db2.gz RUUQXOWPOPQCSL-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)cc1F ZINC000877528039 623926284 /nfs/dbraw/zinc/92/62/84/623926284.db2.gz RUUQXOWPOPQCSL-UHFFFAOYSA-N 2 2 313.323 3.146 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)[C@@H]3CCCOC3)cc2)CC1 ZINC000780738676 623976010 /nfs/dbraw/zinc/97/60/10/623976010.db2.gz FUDRACBTVZOICU-DLBZAZTESA-N 2 2 317.477 3.056 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738393 624011061 /nfs/dbraw/zinc/01/10/61/624011061.db2.gz BNAPMZCLJZAQAP-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738393 624011064 /nfs/dbraw/zinc/01/10/64/624011064.db2.gz BNAPMZCLJZAQAP-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738393 624011065 /nfs/dbraw/zinc/01/10/65/624011065.db2.gz BNAPMZCLJZAQAP-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3c(F)cccc3Cl)CC[C@H]21 ZINC000877738393 624011069 /nfs/dbraw/zinc/01/10/69/624011069.db2.gz BNAPMZCLJZAQAP-CXAGYDPISA-N 2 2 310.844 3.438 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000877743563 624017464 /nfs/dbraw/zinc/01/74/64/624017464.db2.gz LCYKRJVTXRQNPD-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OC ZINC000877743563 624017469 /nfs/dbraw/zinc/01/74/69/624017469.db2.gz LCYKRJVTXRQNPD-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1OC ZINC000877743563 624017471 /nfs/dbraw/zinc/01/74/71/624017471.db2.gz LCYKRJVTXRQNPD-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1OC ZINC000877743563 624017474 /nfs/dbraw/zinc/01/74/74/624017474.db2.gz LCYKRJVTXRQNPD-IRXDYDNUSA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OCC ZINC000877744511 624017544 /nfs/dbraw/zinc/01/75/44/624017544.db2.gz VAAAAWKJSJNDSE-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OCC ZINC000877744511 624017545 /nfs/dbraw/zinc/01/75/45/624017545.db2.gz VAAAAWKJSJNDSE-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1OCC ZINC000877744511 624017547 /nfs/dbraw/zinc/01/75/47/624017547.db2.gz VAAAAWKJSJNDSE-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1OCC ZINC000877744511 624017549 /nfs/dbraw/zinc/01/75/49/624017549.db2.gz VAAAAWKJSJNDSE-DLBZAZTESA-N 2 2 318.461 3.010 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761154 624280827 /nfs/dbraw/zinc/28/08/27/624280827.db2.gz OYFAISLXUXRWLW-PMACEKPBSA-N 2 2 314.473 3.228 20 0 DGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CCOCC2)cc1 ZINC000782761154 624280831 /nfs/dbraw/zinc/28/08/31/624280831.db2.gz OYFAISLXUXRWLW-PMACEKPBSA-N 2 2 314.473 3.228 20 0 DGADLP CCOCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000783452208 624353783 /nfs/dbraw/zinc/35/37/83/624353783.db2.gz ZYVOKYRNHIDJOS-UHFFFAOYSA-N 2 2 306.450 3.022 20 0 DGADLP C[C@H]1SCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783638279 624378107 /nfs/dbraw/zinc/37/81/07/624378107.db2.gz BCBZTARBMYOKRB-RDTXWAMCSA-N 2 2 319.518 3.205 20 0 DGADLP CC(=O)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000879202881 624450155 /nfs/dbraw/zinc/45/01/55/624450155.db2.gz RLWXOGCBYKVQTF-UHFFFAOYSA-N 2 2 316.445 3.062 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1C ZINC000879569018 624594533 /nfs/dbraw/zinc/59/45/33/624594533.db2.gz HNBNBHIXICPGLH-PKOBYXMFSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000879569018 624594538 /nfs/dbraw/zinc/59/45/38/624594538.db2.gz HNBNBHIXICPGLH-PKOBYXMFSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1C ZINC000879569018 624594542 /nfs/dbraw/zinc/59/45/42/624594542.db2.gz HNBNBHIXICPGLH-PKOBYXMFSA-N 2 2 314.473 3.340 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1C ZINC000879569018 624594548 /nfs/dbraw/zinc/59/45/48/624594548.db2.gz HNBNBHIXICPGLH-PKOBYXMFSA-N 2 2 314.473 3.340 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580331 624597980 /nfs/dbraw/zinc/59/79/80/624597980.db2.gz SOMFVJDJBJBUPS-DOTOQJQBSA-N 2 2 317.864 3.321 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580331 624597993 /nfs/dbraw/zinc/59/79/93/624597993.db2.gz SOMFVJDJBJBUPS-DOTOQJQBSA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580331 624597995 /nfs/dbraw/zinc/59/79/95/624597995.db2.gz SOMFVJDJBJBUPS-DOTOQJQBSA-N 2 2 317.864 3.321 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)CC[C@H]21 ZINC000879580331 624597998 /nfs/dbraw/zinc/59/79/98/624597998.db2.gz SOMFVJDJBJBUPS-DOTOQJQBSA-N 2 2 317.864 3.321 20 0 DGADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000785610371 624699698 /nfs/dbraw/zinc/69/96/98/624699698.db2.gz FREDGHXDBILXKQ-UHFFFAOYSA-N 2 2 305.447 3.229 20 0 DGADLP Cc1noc(C)c1CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950378 624728413 /nfs/dbraw/zinc/72/84/13/624728413.db2.gz ONDFCTFLUHKCDX-UHFFFAOYSA-N 2 2 305.466 3.174 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000880089347 624781787 /nfs/dbraw/zinc/78/17/87/624781787.db2.gz AVBVPDRUPGPDIF-ZBFHGGJFSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000880089347 624781790 /nfs/dbraw/zinc/78/17/90/624781790.db2.gz AVBVPDRUPGPDIF-ZBFHGGJFSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000880089347 624781792 /nfs/dbraw/zinc/78/17/92/624781792.db2.gz AVBVPDRUPGPDIF-ZBFHGGJFSA-N 2 2 318.461 3.107 20 0 DGADLP COc1cc2c(cc1OC)[C@@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000880089347 624781795 /nfs/dbraw/zinc/78/17/95/624781795.db2.gz AVBVPDRUPGPDIF-ZBFHGGJFSA-N 2 2 318.461 3.107 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133754 624802617 /nfs/dbraw/zinc/80/26/17/624802617.db2.gz QAICLICCFWNEIM-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133754 624802620 /nfs/dbraw/zinc/80/26/20/624802620.db2.gz QAICLICCFWNEIM-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000880133754 624802624 /nfs/dbraw/zinc/80/26/24/624802624.db2.gz QAICLICCFWNEIM-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000880133754 624802628 /nfs/dbraw/zinc/80/26/28/624802628.db2.gz QAICLICCFWNEIM-DLBZAZTESA-N 2 2 308.853 3.277 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139923 624803571 /nfs/dbraw/zinc/80/35/71/624803571.db2.gz AXQWIJQXKPFGAG-OKYOBFRVSA-N 2 2 300.446 3.075 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139923 624803581 /nfs/dbraw/zinc/80/35/81/624803581.db2.gz AXQWIJQXKPFGAG-OKYOBFRVSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139923 624803592 /nfs/dbraw/zinc/80/35/92/624803592.db2.gz AXQWIJQXKPFGAG-OKYOBFRVSA-N 2 2 300.446 3.075 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000880139923 624803598 /nfs/dbraw/zinc/80/35/98/624803598.db2.gz AXQWIJQXKPFGAG-OKYOBFRVSA-N 2 2 300.446 3.075 20 0 DGADLP Cc1cccc(CCC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880204091 624838122 /nfs/dbraw/zinc/83/81/22/624838122.db2.gz RRSOIAAFXISKKX-FQEVSTJZSA-N 2 2 316.489 3.161 20 0 DGADLP Cc1cccc(CCC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000880204091 624838126 /nfs/dbraw/zinc/83/81/26/624838126.db2.gz RRSOIAAFXISKKX-FQEVSTJZSA-N 2 2 316.489 3.161 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209668 624844188 /nfs/dbraw/zinc/84/41/88/624844188.db2.gz XDHCOIRXDNWAAC-AZUAARDMSA-N 2 2 314.473 3.297 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209668 624844193 /nfs/dbraw/zinc/84/41/93/624844193.db2.gz XDHCOIRXDNWAAC-AZUAARDMSA-N 2 2 314.473 3.297 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209367 624844578 /nfs/dbraw/zinc/84/45/78/624844578.db2.gz SWDPFGRRWXXQBX-FXAWDEMLSA-N 2 2 316.489 3.241 20 0 DGADLP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209367 624844586 /nfs/dbraw/zinc/84/45/86/624844586.db2.gz SWDPFGRRWXXQBX-FXAWDEMLSA-N 2 2 316.489 3.241 20 0 DGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1scnc1Cl ZINC000880517149 624971379 /nfs/dbraw/zinc/97/13/79/624971379.db2.gz JOWMAZVVSZEGQC-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1scnc1Cl ZINC000880517149 624971381 /nfs/dbraw/zinc/97/13/81/624971381.db2.gz JOWMAZVVSZEGQC-UHFFFAOYSA-N 2 2 301.887 3.494 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(SC(F)(F)F)cc3)C[C@@H]2C1 ZINC000787304911 624999447 /nfs/dbraw/zinc/99/94/47/624999447.db2.gz MGHIRJAOUYNTQC-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(SC(F)(F)F)cc3)C[C@@H]2C1 ZINC000787304911 624999448 /nfs/dbraw/zinc/99/94/48/624999448.db2.gz MGHIRJAOUYNTQC-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(SC(F)(F)F)cc3)C[C@@H]2C1 ZINC000787304911 624999449 /nfs/dbraw/zinc/99/94/49/624999449.db2.gz MGHIRJAOUYNTQC-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(SC(F)(F)F)cc3)C[C@@H]2C1 ZINC000787304911 624999451 /nfs/dbraw/zinc/99/94/51/624999451.db2.gz MGHIRJAOUYNTQC-BETUJISGSA-N 2 2 316.392 3.292 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000883107217 625929211 /nfs/dbraw/zinc/92/92/11/625929211.db2.gz RKLPMKNFRABONN-KRWDZBQOSA-N 2 2 312.461 3.145 20 0 DGADLP CC(C)c1c[nH]c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000883107217 625929216 /nfs/dbraw/zinc/92/92/16/625929216.db2.gz RKLPMKNFRABONN-KRWDZBQOSA-N 2 2 312.461 3.145 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193796 625965146 /nfs/dbraw/zinc/96/51/46/625965146.db2.gz GHQCLHGJGBSOGH-DNVCBOLYSA-N 2 2 320.452 3.367 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883193796 625965151 /nfs/dbraw/zinc/96/51/51/625965151.db2.gz GHQCLHGJGBSOGH-DNVCBOLYSA-N 2 2 320.452 3.367 20 0 DGADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000796287383 626035594 /nfs/dbraw/zinc/03/55/94/626035594.db2.gz JUVASIYLUFBWRI-MRXNPFEDSA-N 2 2 301.459 3.290 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592722 626156881 /nfs/dbraw/zinc/15/68/81/626156881.db2.gz AJQZLVUIYBRXGL-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592722 626156884 /nfs/dbraw/zinc/15/68/84/626156884.db2.gz AJQZLVUIYBRXGL-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592722 626156887 /nfs/dbraw/zinc/15/68/87/626156887.db2.gz AJQZLVUIYBRXGL-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592722 626156890 /nfs/dbraw/zinc/15/68/90/626156890.db2.gz AJQZLVUIYBRXGL-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000800242772 626344560 /nfs/dbraw/zinc/34/45/60/626344560.db2.gz JGUVHXKBUJZCPP-MRXNPFEDSA-N 2 2 319.493 3.125 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800487537 626364053 /nfs/dbraw/zinc/36/40/53/626364053.db2.gz GZMZBZPNLQDDOG-QFBILLFUSA-N 2 2 317.477 3.056 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc(CO)c1 ZINC000883386222 626668876 /nfs/dbraw/zinc/66/88/76/626668876.db2.gz BUHGECNWJPYIMJ-UZLBHIALSA-N 2 2 321.424 3.468 20 0 DGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCCSCC2)c2ccccc2)c[nH+]1 ZINC000883388033 626669568 /nfs/dbraw/zinc/66/95/68/626669568.db2.gz KSJLKCTZSAVBGI-IAGOWNOFSA-N 2 2 301.459 3.500 20 0 DGADLP CC(C)Cn1nccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397181 626672474 /nfs/dbraw/zinc/67/24/74/626672474.db2.gz GTOZYMHGGHVHPV-LJQANCHMSA-N 2 2 323.444 3.267 20 0 DGADLP CCOc1cncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883397190 626672696 /nfs/dbraw/zinc/67/26/96/626672696.db2.gz GWRXQICTBNYPFY-LJQANCHMSA-N 2 2 322.412 3.208 20 0 DGADLP CSCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000132526434 626724358 /nfs/dbraw/zinc/72/43/58/626724358.db2.gz WYHUQHBBOYBDQT-UHFFFAOYSA-N 2 2 307.507 3.064 20 0 DGADLP Cc1cc(Br)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000809752947 626946310 /nfs/dbraw/zinc/94/63/10/626946310.db2.gz KRVUZJXYCIZQHK-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000809752947 626946313 /nfs/dbraw/zinc/94/63/13/626946313.db2.gz KRVUZJXYCIZQHK-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cnn1-c1ccccc1 ZINC000810253198 626993255 /nfs/dbraw/zinc/99/32/55/626993255.db2.gz NZNBSIJNJYFTCF-HIFRSBDPSA-N 2 2 321.428 3.112 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000885999898 627079665 /nfs/dbraw/zinc/07/96/65/627079665.db2.gz PHEPQLMJWAWHHF-YOEHRIQHSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1n[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C ZINC000885999898 627079668 /nfs/dbraw/zinc/07/96/68/627079668.db2.gz PHEPQLMJWAWHHF-YOEHRIQHSA-N 2 2 318.490 3.261 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000886011395 627082785 /nfs/dbraw/zinc/08/27/85/627082785.db2.gz ZZDFNGXUFFHHLX-RDTXWAMCSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000886011395 627082788 /nfs/dbraw/zinc/08/27/88/627082788.db2.gz ZZDFNGXUFFHHLX-RDTXWAMCSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000886012193 627083285 /nfs/dbraw/zinc/08/32/85/627083285.db2.gz BLWMLYLKWXXBEY-RDTXWAMCSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000886012193 627083287 /nfs/dbraw/zinc/08/32/87/627083287.db2.gz BLWMLYLKWXXBEY-RDTXWAMCSA-N 2 2 312.461 3.169 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000886011389 627083310 /nfs/dbraw/zinc/08/33/10/627083310.db2.gz ZZDFNGXUFFHHLX-KBXCAEBGSA-N 2 2 312.461 3.027 20 0 DGADLP Cc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000886011389 627083312 /nfs/dbraw/zinc/08/33/12/627083312.db2.gz ZZDFNGXUFFHHLX-KBXCAEBGSA-N 2 2 312.461 3.027 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000886171206 627117304 /nfs/dbraw/zinc/11/73/04/627117304.db2.gz AHLLWYGILSHCKA-AEFFLSMTSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000886171206 627117306 /nfs/dbraw/zinc/11/73/06/627117306.db2.gz AHLLWYGILSHCKA-AEFFLSMTSA-N 2 2 306.494 3.475 20 0 DGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC4(CCC4)CO3)c2)c[nH+]1 ZINC000886318115 627136271 /nfs/dbraw/zinc/13/62/71/627136271.db2.gz JXFUJOQIJGHQBB-HNNXBMFYSA-N 2 2 317.458 3.373 20 0 DGADLP c1cn(C[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c2ccccc2)c[nH+]1 ZINC000886319662 627136950 /nfs/dbraw/zinc/13/69/50/627136950.db2.gz LFRYOUVGSFAUOB-FHWLQOOXSA-N 2 2 311.429 3.172 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCc3cccnc32)c[nH+]1 ZINC000886498635 627153214 /nfs/dbraw/zinc/15/32/14/627153214.db2.gz JMXYUNLOSGVGJK-SFHVURJKSA-N 2 2 304.397 3.104 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnn(C)c1 ZINC000886511445 627155276 /nfs/dbraw/zinc/15/52/76/627155276.db2.gz UCYLOPFVKVWSGT-SFHVURJKSA-N 2 2 309.417 3.093 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886553419 627161905 /nfs/dbraw/zinc/16/19/05/627161905.db2.gz MTUSVJSHCIBMSZ-KXBFYZLASA-N 2 2 322.456 3.279 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886553417 627162051 /nfs/dbraw/zinc/16/20/51/627162051.db2.gz MTUSVJSHCIBMSZ-DNVCBOLYSA-N 2 2 322.456 3.279 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625661 627176285 /nfs/dbraw/zinc/17/62/85/627176285.db2.gz WVOIJPZFWZSBCL-BVBHFADKSA-N 2 2 324.472 3.124 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccn(C)n1 ZINC000886625661 627176288 /nfs/dbraw/zinc/17/62/88/627176288.db2.gz WVOIJPZFWZSBCL-BVBHFADKSA-N 2 2 324.472 3.124 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3cncc(Cl)c3)CC2)[nH+]c1C ZINC000886659919 627182608 /nfs/dbraw/zinc/18/26/08/627182608.db2.gz YQKYRKIRCNZVQG-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)[nH+]c1C ZINC000886668366 627184782 /nfs/dbraw/zinc/18/47/82/627184782.db2.gz RJKVQQNYQHTHMM-LBPRGKRZSA-N 2 2 315.421 3.228 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4ncccn4)C3)cc2)c[nH+]1 ZINC000886683127 627189384 /nfs/dbraw/zinc/18/93/84/627189384.db2.gz XRXWSWPGYCGSLX-KRWDZBQOSA-N 2 2 319.412 3.042 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4ncccn4)C3)cc2)c[nH+]1 ZINC000886683127 627189387 /nfs/dbraw/zinc/18/93/87/627189387.db2.gz XRXWSWPGYCGSLX-KRWDZBQOSA-N 2 2 319.412 3.042 20 0 DGADLP c1ccc2c(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000886876077 627212019 /nfs/dbraw/zinc/21/20/19/627212019.db2.gz DIEXCWMUJMGSPH-QGZVFWFLSA-N 2 2 301.459 3.262 20 0 DGADLP c1ccc2c(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000886876077 627212023 /nfs/dbraw/zinc/21/20/23/627212023.db2.gz DIEXCWMUJMGSPH-QGZVFWFLSA-N 2 2 301.459 3.262 20 0 DGADLP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc(Cl)n1 ZINC000887135145 627228473 /nfs/dbraw/zinc/22/84/73/627228473.db2.gz WVWSQSZCWLBNML-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc(Cl)n1 ZINC000887135145 627228475 /nfs/dbraw/zinc/22/84/75/627228475.db2.gz WVWSQSZCWLBNML-CQSZACIVSA-N 2 2 316.836 3.149 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3(C4CC4)CCC3)C2)cc1 ZINC000887148712 627229808 /nfs/dbraw/zinc/22/98/08/627229808.db2.gz QNJZNAYNVYXRJV-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3(C4CC4)CCC3)C2)cc1 ZINC000887148712 627229809 /nfs/dbraw/zinc/22/98/09/627229809.db2.gz QNJZNAYNVYXRJV-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000814294005 627557189 /nfs/dbraw/zinc/55/71/89/627557189.db2.gz HGDXLRASNITGBZ-NOCRFKNCSA-N 2 2 302.462 3.310 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000814294005 627557192 /nfs/dbraw/zinc/55/71/92/627557192.db2.gz HGDXLRASNITGBZ-NOCRFKNCSA-N 2 2 302.462 3.310 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000924531382 627645018 /nfs/dbraw/zinc/64/50/18/627645018.db2.gz GBWNTPHZXQISAO-XLIONFOSSA-N 2 2 309.457 3.439 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559090 627649317 /nfs/dbraw/zinc/64/93/17/627649317.db2.gz HXHKGIQXWOEBPP-LEWJYISDSA-N 2 2 323.484 3.309 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924559090 627649319 /nfs/dbraw/zinc/64/93/19/627649319.db2.gz HXHKGIQXWOEBPP-LEWJYISDSA-N 2 2 323.484 3.309 20 0 DGADLP Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728779 627674112 /nfs/dbraw/zinc/67/41/12/627674112.db2.gz HTWUEPDSCIJSFK-UKRRQHHQSA-N 2 2 302.422 3.261 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000924729228 627674286 /nfs/dbraw/zinc/67/42/86/627674286.db2.gz KEHKZVPEDUWUFS-TWMKSMIVSA-N 2 2 305.466 3.093 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924885041 627690225 /nfs/dbraw/zinc/69/02/25/627690225.db2.gz BLNCMSSHHFNTOI-ZBFHGGJFSA-N 2 2 312.461 3.111 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000924907676 627692505 /nfs/dbraw/zinc/69/25/05/627692505.db2.gz OPRUJUAVFCYYMR-HZPDHXFCSA-N 2 2 307.507 3.416 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000924907676 627692509 /nfs/dbraw/zinc/69/25/09/627692509.db2.gz OPRUJUAVFCYYMR-HZPDHXFCSA-N 2 2 307.507 3.416 20 0 DGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000924926699 627694137 /nfs/dbraw/zinc/69/41/37/627694137.db2.gz MKEWRXHPVMUIAT-IRXDYDNUSA-N 2 2 305.466 3.195 20 0 DGADLP CC1(C)CC2(CC([NH2+]CCCCNc3cccc[nH+]3)C2)CO1 ZINC000924928566 627695082 /nfs/dbraw/zinc/69/50/82/627695082.db2.gz YDWRLLVPIIHWBF-UHFFFAOYSA-N 2 2 303.450 3.211 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000925012013 627700994 /nfs/dbraw/zinc/70/09/94/627700994.db2.gz UMWAITZAAHJCBR-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000925012013 627700996 /nfs/dbraw/zinc/70/09/96/627700996.db2.gz UMWAITZAAHJCBR-XLIONFOSSA-N 2 2 309.457 3.411 20 0 DGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177090 627715863 /nfs/dbraw/zinc/71/58/63/627715863.db2.gz NKUDDOCRBPIQGY-NQIIRXRSSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000925177090 627715867 /nfs/dbraw/zinc/71/58/67/627715867.db2.gz NKUDDOCRBPIQGY-NQIIRXRSSA-N 2 2 323.484 3.309 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000925177682 627715923 /nfs/dbraw/zinc/71/59/23/627715923.db2.gz DGXAWDYGQQSAHC-YOEHRIQHSA-N 2 2 322.412 3.155 20 0 DGADLP Cc1nc2ccccc2n1CCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925509083 627744237 /nfs/dbraw/zinc/74/42/37/627744237.db2.gz LDHUOKHDSZHQEL-MGPUTAFESA-N 2 2 322.456 3.413 20 0 DGADLP c1sc(-c2ccccc2)nc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925517870 627746394 /nfs/dbraw/zinc/74/63/94/627746394.db2.gz HISMRWLKEDNRPR-INIZCTEOSA-N 2 2 313.470 3.227 20 0 DGADLP COc1ccc(O[C@H](C)C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000925524756 627746943 /nfs/dbraw/zinc/74/69/43/627746943.db2.gz ZCMJLIHHQTZEKH-VCBZYWHSSA-N 2 2 314.429 3.141 20 0 DGADLP COc1ccccc1O[C@H](C)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925524790 627747193 /nfs/dbraw/zinc/74/71/93/627747193.db2.gz ZLNUBEBNNZYNFD-VCBZYWHSSA-N 2 2 314.429 3.141 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541029 627750658 /nfs/dbraw/zinc/75/06/58/627750658.db2.gz GZYDRBXHYTXCQL-WQUXRXDGSA-N 3 2 315.505 3.462 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553010 627753377 /nfs/dbraw/zinc/75/33/77/627753377.db2.gz MISIXDGOSZCKLV-LNLFQRSKSA-N 3 2 303.494 3.319 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925553010 627753382 /nfs/dbraw/zinc/75/33/82/627753382.db2.gz MISIXDGOSZCKLV-LNLFQRSKSA-N 3 2 303.494 3.319 20 0 DGADLP c1sc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1C1CC1 ZINC000925582458 627758637 /nfs/dbraw/zinc/75/86/37/627758637.db2.gz FJGZEIMPMDBXHB-LSDHHAIUSA-N 2 2 305.491 3.278 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c[nH+]1 ZINC000925608547 627762313 /nfs/dbraw/zinc/76/23/13/627762313.db2.gz ZYFHTPNJSKLRQP-MOPGFXCFSA-N 3 2 324.472 3.130 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925611925 627762798 /nfs/dbraw/zinc/76/27/98/627762798.db2.gz OBVJGEHWEGFLRK-GUDVDZBRSA-N 2 2 314.473 3.107 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925611925 627762800 /nfs/dbraw/zinc/76/28/00/627762800.db2.gz OBVJGEHWEGFLRK-GUDVDZBRSA-N 2 2 314.473 3.107 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925611924 627762961 /nfs/dbraw/zinc/76/29/61/627762961.db2.gz OBVJGEHWEGFLRK-GBESFXJTSA-N 2 2 314.473 3.107 20 0 DGADLP O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925611924 627762964 /nfs/dbraw/zinc/76/29/64/627762964.db2.gz OBVJGEHWEGFLRK-GBESFXJTSA-N 2 2 314.473 3.107 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925639936 627767588 /nfs/dbraw/zinc/76/75/88/627767588.db2.gz NJKSDIPEIYGRHR-FZCLSBEQSA-N 2 2 316.493 3.208 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000925647705 627769983 /nfs/dbraw/zinc/76/99/83/627769983.db2.gz FXDIWMQKCHYUBQ-PMACEKPBSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000925647705 627769985 /nfs/dbraw/zinc/76/99/85/627769985.db2.gz FXDIWMQKCHYUBQ-PMACEKPBSA-N 2 2 324.472 3.194 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)ccc2n1C1CC1 ZINC000925666196 627773120 /nfs/dbraw/zinc/77/31/20/627773120.db2.gz OTKBJTGPAIRYKB-QGZVFWFLSA-N 2 2 312.461 3.164 20 0 DGADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC000925724862 627782473 /nfs/dbraw/zinc/78/24/73/627782473.db2.gz NNSSCSZCAIKECZ-OAGGEKHMSA-N 2 2 324.827 3.183 20 0 DGADLP Fc1ccc2c(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)noc2c1 ZINC000925729384 627783334 /nfs/dbraw/zinc/78/33/34/627783334.db2.gz PLODFZHZLUEZOQ-HZPDHXFCSA-N 2 2 317.408 3.225 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccccc1 ZINC000925730109 627783743 /nfs/dbraw/zinc/78/37/43/627783743.db2.gz NEGJARIMBAGCML-XCRHUMRWSA-N 2 2 318.848 3.094 20 0 DGADLP Cc1c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])nnn1-c1cccc(Cl)c1 ZINC000925739863 627784864 /nfs/dbraw/zinc/78/48/64/627784864.db2.gz ANGYPHRSSLCVOW-LLVKDONJSA-N 2 2 321.856 3.007 20 0 DGADLP Cc1c([C@H](C)[NH2+]CCC(C)(C)[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000925740230 627785369 /nfs/dbraw/zinc/78/53/69/627785369.db2.gz GFOMJQWAHIHHDB-NSHDSACASA-N 2 2 321.856 3.007 20 0 DGADLP Cc1cccc([C@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1C ZINC000925752807 627787579 /nfs/dbraw/zinc/78/75/79/627787579.db2.gz YQZFOGHHIOCBBM-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP Cc1cccc([C@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)c1C ZINC000925752807 627787582 /nfs/dbraw/zinc/78/75/82/627787582.db2.gz YQZFOGHHIOCBBM-ZDUSSCGKSA-N 2 2 301.459 3.338 20 0 DGADLP CC[C@@H](c1ccc(C)cc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752354 627787725 /nfs/dbraw/zinc/78/77/25/627787725.db2.gz UAPUFRXAUJTBJF-HNNXBMFYSA-N 2 2 301.459 3.420 20 0 DGADLP CC[C@@H](c1ccc(C)cc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752354 627787726 /nfs/dbraw/zinc/78/77/26/627787726.db2.gz UAPUFRXAUJTBJF-HNNXBMFYSA-N 2 2 301.459 3.420 20 0 DGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925791809 627796114 /nfs/dbraw/zinc/79/61/14/627796114.db2.gz CHEILBXZUYNDNA-CXAGYDPISA-N 2 2 320.864 3.076 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(C)c1 ZINC000925792726 627796806 /nfs/dbraw/zinc/79/68/06/627796806.db2.gz PRCFLBHJJSXYHD-ROUUACIJSA-N 2 2 302.462 3.194 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccnn1-c1ccccc1)c1ccccc1 ZINC000925805067 627797724 /nfs/dbraw/zinc/79/77/24/627797724.db2.gz QATMLPUHINOJAS-UZLBHIALSA-N 2 2 320.440 3.093 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1 ZINC000925835338 627802624 /nfs/dbraw/zinc/80/26/24/627802624.db2.gz RYZKEYICOCXAKE-MHEUCROKSA-N 2 2 316.367 3.165 20 0 DGADLP Cn1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2ccccc2)n1 ZINC000926130370 627848398 /nfs/dbraw/zinc/84/83/98/627848398.db2.gz OPTUKKYOSLONBH-MOPGFXCFSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(-c2ccccc2)n1 ZINC000926130370 627848402 /nfs/dbraw/zinc/84/84/02/627848402.db2.gz OPTUKKYOSLONBH-MOPGFXCFSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-c2ccccc2)n1 ZINC000926130371 627848789 /nfs/dbraw/zinc/84/87/89/627848789.db2.gz OPTUKKYOSLONBH-OALUTQOASA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(-c2ccccc2)n1 ZINC000926130371 627848793 /nfs/dbraw/zinc/84/87/93/627848793.db2.gz OPTUKKYOSLONBH-OALUTQOASA-N 2 2 324.472 3.194 20 0 DGADLP OC[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926428084 627894243 /nfs/dbraw/zinc/89/42/43/627894243.db2.gz GMFUJFWORPWSQD-JQHSSLGASA-N 2 2 322.880 3.022 20 0 DGADLP OC[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000926428084 627894247 /nfs/dbraw/zinc/89/42/47/627894247.db2.gz GMFUJFWORPWSQD-JQHSSLGASA-N 2 2 322.880 3.022 20 0 DGADLP Cc1cccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccn2)c1 ZINC000926448584 627897515 /nfs/dbraw/zinc/89/75/15/627897515.db2.gz AAVKEJOILMHRFT-OXJNMPFZSA-N 2 2 318.424 3.350 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(C2CCC2)c1 ZINC000926676660 627930925 /nfs/dbraw/zinc/93/09/25/627930925.db2.gz VHUYHSJWMOREAV-QGTPRVQTSA-N 2 2 302.466 3.276 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C2CCC2)c1 ZINC000926676660 627930928 /nfs/dbraw/zinc/93/09/28/627930928.db2.gz VHUYHSJWMOREAV-QGTPRVQTSA-N 2 2 302.466 3.276 20 0 DGADLP C([NH2+][C@@H](C1CC1)C1CCOCC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926744324 627944995 /nfs/dbraw/zinc/94/49/95/627944995.db2.gz ILXUSTXKAQNJBL-MOPGFXCFSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H](C1CC1)C1CCOCC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926744324 627944997 /nfs/dbraw/zinc/94/49/97/627944997.db2.gz ILXUSTXKAQNJBL-MOPGFXCFSA-N 2 2 306.494 3.188 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000817893276 627954370 /nfs/dbraw/zinc/95/43/70/627954370.db2.gz FUDBSBWLYNDKKK-ONERCXAPSA-N 2 2 317.260 3.147 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1csc2ccccc12 ZINC000817899820 627956169 /nfs/dbraw/zinc/95/61/69/627956169.db2.gz QIWXRSQEVJNSSQ-HZSPNIEDSA-N 2 2 304.459 3.319 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000817898872 627956466 /nfs/dbraw/zinc/95/64/66/627956466.db2.gz BVZZHRXJPZXYEG-CVEARBPZSA-N 2 2 306.450 3.103 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817919759 627961697 /nfs/dbraw/zinc/96/16/97/627961697.db2.gz VUUYWPAZHXTLJQ-MHOHDPQLSA-N 2 2 317.260 3.145 20 0 DGADLP c1cc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n(-c2ccccc2)n1 ZINC000926881354 627969222 /nfs/dbraw/zinc/96/92/22/627969222.db2.gz YOTDTIGQGSSXBB-VQTJNVASSA-N 2 2 324.472 3.021 20 0 DGADLP c1cc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n(-c2ccccc2)n1 ZINC000926881354 627969225 /nfs/dbraw/zinc/96/92/25/627969225.db2.gz YOTDTIGQGSSXBB-VQTJNVASSA-N 2 2 324.472 3.021 20 0 DGADLP CCC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957180 627990292 /nfs/dbraw/zinc/99/02/92/627990292.db2.gz GYJJFUMHYXTZPK-QGZVFWFLSA-N 2 2 304.478 3.446 20 0 DGADLP CCC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926957180 627990295 /nfs/dbraw/zinc/99/02/95/627990295.db2.gz GYJJFUMHYXTZPK-QGZVFWFLSA-N 2 2 304.478 3.446 20 0 DGADLP Cc1ccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927104733 628015316 /nfs/dbraw/zinc/01/53/16/628015316.db2.gz FNWOEWUCLQDHMM-AFMYVXGZSA-N 2 2 314.473 3.084 20 0 DGADLP Cc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927104733 628015318 /nfs/dbraw/zinc/01/53/18/628015318.db2.gz FNWOEWUCLQDHMM-AFMYVXGZSA-N 2 2 314.473 3.084 20 0 DGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000927108358 628016378 /nfs/dbraw/zinc/01/63/78/628016378.db2.gz IRLBARCYLARLER-FXAWDEMLSA-N 2 2 316.489 3.159 20 0 DGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000927108358 628016383 /nfs/dbraw/zinc/01/63/83/628016383.db2.gz IRLBARCYLARLER-FXAWDEMLSA-N 2 2 316.489 3.159 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807830 628298988 /nfs/dbraw/zinc/29/89/88/628298988.db2.gz RWLQLIAJCDQDSF-KFKAGJAMSA-N 3 2 301.478 3.026 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000820807830 628298989 /nfs/dbraw/zinc/29/89/89/628298989.db2.gz RWLQLIAJCDQDSF-KFKAGJAMSA-N 3 2 301.478 3.026 20 0 DGADLP CCc1noc(CC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820812560 628299724 /nfs/dbraw/zinc/29/97/24/628299724.db2.gz NLUKVWKSYQJEFA-LQDVMPOASA-N 2 2 303.450 3.047 20 0 DGADLP CCc1noc(CC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820812560 628299725 /nfs/dbraw/zinc/29/97/25/628299725.db2.gz NLUKVWKSYQJEFA-LQDVMPOASA-N 2 2 303.450 3.047 20 0 DGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(F)F ZINC000824509421 628665938 /nfs/dbraw/zinc/66/59/38/628665938.db2.gz MSFNGURXQGJMKV-INIZCTEOSA-N 2 2 311.420 3.355 20 0 DGADLP CC(C)CC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000828450203 629055143 /nfs/dbraw/zinc/05/51/43/629055143.db2.gz GYXBVUUXWUXKMR-KDURUIRLSA-N 2 2 314.473 3.056 20 0 DGADLP CC(C)CC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000828450203 629055145 /nfs/dbraw/zinc/05/51/45/629055145.db2.gz GYXBVUUXWUXKMR-KDURUIRLSA-N 2 2 314.473 3.056 20 0 DGADLP CC(C)CC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000828450203 629055148 /nfs/dbraw/zinc/05/51/48/629055148.db2.gz GYXBVUUXWUXKMR-KDURUIRLSA-N 2 2 314.473 3.056 20 0 DGADLP CC(C)CC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000828450203 629055151 /nfs/dbraw/zinc/05/51/51/629055151.db2.gz GYXBVUUXWUXKMR-KDURUIRLSA-N 2 2 314.473 3.056 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccncc1 ZINC000834523545 629720546 /nfs/dbraw/zinc/72/05/46/629720546.db2.gz XDTGVUQZALKCKP-QGZVFWFLSA-N 2 2 307.401 3.212 20 0 DGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CC1(F)F ZINC000840878322 630370803 /nfs/dbraw/zinc/37/08/03/630370803.db2.gz DAHRUOPCJZXRSO-CXAGYDPISA-N 2 2 323.431 3.355 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841009329 630394694 /nfs/dbraw/zinc/39/46/94/630394694.db2.gz MPQLYUTVDSFWIK-DLBZAZTESA-N 2 2 308.441 3.102 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841009329 630394696 /nfs/dbraw/zinc/39/46/96/630394696.db2.gz MPQLYUTVDSFWIK-DLBZAZTESA-N 2 2 308.441 3.102 20 0 DGADLP CCn1c[nH+]cc1CNc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000841851801 630471392 /nfs/dbraw/zinc/47/13/92/630471392.db2.gz XUTMBTAVTMLVCP-UHFFFAOYSA-N 2 2 322.840 3.109 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000842478343 630540470 /nfs/dbraw/zinc/54/04/70/630540470.db2.gz QUGHYGXVBLOOND-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000842478343 630540472 /nfs/dbraw/zinc/54/04/72/630540472.db2.gz QUGHYGXVBLOOND-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000842829695 630580877 /nfs/dbraw/zinc/58/08/77/630580877.db2.gz LHAUFTKUJKOYTP-PBHICJAKSA-N 2 2 315.465 3.181 20 0 DGADLP C[N@H+](Cc1cc(Cl)nc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843363329 630649905 /nfs/dbraw/zinc/64/99/05/630649905.db2.gz XMZBRMDEGMCJAM-FOSCPWQOSA-N 2 2 300.233 3.103 20 0 DGADLP C[N@@H+](Cc1cc(Cl)nc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843363329 630649907 /nfs/dbraw/zinc/64/99/07/630649907.db2.gz XMZBRMDEGMCJAM-FOSCPWQOSA-N 2 2 300.233 3.103 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000105447979 630712343 /nfs/dbraw/zinc/71/23/43/630712343.db2.gz WZIURGMAYKLTQX-OAHLLOKOSA-N 2 2 307.397 3.299 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000848575440 631701599 /nfs/dbraw/zinc/70/15/99/631701599.db2.gz QQLGXSCJTMJIBO-IAGOWNOFSA-N 2 2 318.461 3.119 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000848575440 631701602 /nfs/dbraw/zinc/70/16/02/631701602.db2.gz QQLGXSCJTMJIBO-IAGOWNOFSA-N 2 2 318.461 3.119 20 0 DGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CCCCCC1 ZINC000848998453 631802600 /nfs/dbraw/zinc/80/26/00/631802600.db2.gz KAZKXROIHCBISO-UHFFFAOYSA-N 2 2 311.433 3.209 20 0 DGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])NC1CCCCC1)c1ccco1 ZINC000849026977 631811704 /nfs/dbraw/zinc/81/17/04/631811704.db2.gz PQERTAZWKDBTHJ-UKRRQHHQSA-N 2 2 306.454 3.155 20 0 DGADLP CCCCNC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054930 631821513 /nfs/dbraw/zinc/82/15/13/631821513.db2.gz YUQGTJBUJGNKJS-INIZCTEOSA-N 2 2 322.884 3.391 20 0 DGADLP CC[C@H](C)c1ccc(NC(=[NH2+])NCC[NH+]2CCSCC2)cc1 ZINC000849100019 631834573 /nfs/dbraw/zinc/83/45/73/631834573.db2.gz PNRSJIINRDLTEK-AWEZNQCLSA-N 2 2 320.506 3.185 20 0 DGADLP FC(F)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812649 632501568 /nfs/dbraw/zinc/50/15/68/632501568.db2.gz IRYVEKILNIZYDL-SJORKVTESA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000851812649 632501571 /nfs/dbraw/zinc/50/15/71/632501571.db2.gz IRYVEKILNIZYDL-SJORKVTESA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000851812649 632501573 /nfs/dbraw/zinc/50/15/73/632501573.db2.gz IRYVEKILNIZYDL-SJORKVTESA-N 2 2 324.415 3.212 20 0 DGADLP FC(F)OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000851812649 632501576 /nfs/dbraw/zinc/50/15/76/632501576.db2.gz IRYVEKILNIZYDL-SJORKVTESA-N 2 2 324.415 3.212 20 0 DGADLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000185239413 660211417 /nfs/dbraw/zinc/21/14/17/660211417.db2.gz SMYBPYTZSWJZTO-ZDUSSCGKSA-N 2 2 311.813 3.022 20 0 DGADLP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000185239413 660211418 /nfs/dbraw/zinc/21/14/18/660211418.db2.gz SMYBPYTZSWJZTO-ZDUSSCGKSA-N 2 2 311.813 3.022 20 0 DGADLP C[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000185239413 660211419 /nfs/dbraw/zinc/21/14/19/660211419.db2.gz SMYBPYTZSWJZTO-ZDUSSCGKSA-N 2 2 311.813 3.022 20 0 DGADLP C[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000185239413 660211420 /nfs/dbraw/zinc/21/14/20/660211420.db2.gz SMYBPYTZSWJZTO-ZDUSSCGKSA-N 2 2 311.813 3.022 20 0 DGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000700817156 660637526 /nfs/dbraw/zinc/63/75/26/660637526.db2.gz QWQJEILGAZDVJO-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cscc2Br)C1 ZINC000700817156 660637528 /nfs/dbraw/zinc/63/75/28/660637528.db2.gz QWQJEILGAZDVJO-NSHDSACASA-N 2 2 317.296 3.332 20 0 DGADLP Cc1ccncc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000792996321 660999309 /nfs/dbraw/zinc/99/93/09/660999309.db2.gz RPARWSJYTCTMDF-UHFFFAOYSA-N 2 2 324.472 3.215 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001020414095 655532366 /nfs/dbraw/zinc/53/23/66/655532366.db2.gz UIEFSCMFUDGEMW-QAQDUYKDSA-N 2 2 315.461 3.047 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000261858636 655678517 /nfs/dbraw/zinc/67/85/17/655678517.db2.gz SAENVUCNDNONRZ-KRWDZBQOSA-N 2 2 319.836 3.474 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000261858636 655678519 /nfs/dbraw/zinc/67/85/19/655678519.db2.gz SAENVUCNDNONRZ-KRWDZBQOSA-N 2 2 319.836 3.474 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000246976077 655761167 /nfs/dbraw/zinc/76/11/67/655761167.db2.gz IRJJBJHQSDLXNG-BPLDGKMQSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC[N@H+]1C ZINC000246976077 655761170 /nfs/dbraw/zinc/76/11/70/655761170.db2.gz IRJJBJHQSDLXNG-BPLDGKMQSA-N 2 2 304.459 3.007 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000178053514 655953735 /nfs/dbraw/zinc/95/37/35/655953735.db2.gz PRCVOKPHCSSEMP-CVEARBPZSA-N 2 2 301.434 3.139 20 0 DGADLP C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000892750087 656035200 /nfs/dbraw/zinc/03/52/00/656035200.db2.gz SZGSJOJKYBZAPD-HIFRSBDPSA-N 2 2 320.234 3.135 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c2ccccc2oc1=S ZINC000162816909 656361954 /nfs/dbraw/zinc/36/19/54/656361954.db2.gz XHOJZIJSMPKVSN-UHFFFAOYSA-N 2 2 316.430 3.448 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c2ccccc2oc1=S ZINC000162816909 656361958 /nfs/dbraw/zinc/36/19/58/656361958.db2.gz XHOJZIJSMPKVSN-UHFFFAOYSA-N 2 2 316.430 3.448 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC000981234045 656655261 /nfs/dbraw/zinc/65/52/61/656655261.db2.gz BISHEDGHMSXHEZ-DLBZAZTESA-N 2 2 317.477 3.293 20 0 DGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000261544961 656906624 /nfs/dbraw/zinc/90/66/24/656906624.db2.gz FKDUWHLWRWOBMJ-ZDUSSCGKSA-N 2 2 303.219 3.051 20 0 DGADLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000187823802 656938416 /nfs/dbraw/zinc/93/84/16/656938416.db2.gz UALJQYNRYSZOGL-UHFFFAOYSA-N 2 2 323.824 3.378 20 0 DGADLP CN(C)c1[nH+]cc(CNc2ccc([NH+]3CCCCC3)cc2)n1C ZINC000320888174 657668498 /nfs/dbraw/zinc/66/84/98/657668498.db2.gz UIIAWSNENSCKHX-UHFFFAOYSA-N 2 2 313.449 3.089 20 0 DGADLP CCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037893554 658502646 /nfs/dbraw/zinc/50/26/46/658502646.db2.gz QRJMHJYEHKPVFC-SJORKVTESA-N 2 2 317.477 3.247 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000157552145 659070946 /nfs/dbraw/zinc/07/09/46/659070946.db2.gz KDTAEFPJXSDRBO-UHFFFAOYSA-N 2 2 313.489 3.500 20 0 DGADLP CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000062254435 659312345 /nfs/dbraw/zinc/31/23/45/659312345.db2.gz LSIOSCBPRZKNQW-HNNXBMFYSA-N 2 2 317.433 3.106 20 0 DGADLP CCCC[N@H+](Cc1cn(C)cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034627 661446973 /nfs/dbraw/zinc/44/69/73/661446973.db2.gz VPKFNUQOINHIRR-UHFFFAOYSA-N 2 2 306.498 3.331 20 0 DGADLP CCCC[N@@H+](Cc1cn(C)cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034627 661446975 /nfs/dbraw/zinc/44/69/75/661446975.db2.gz VPKFNUQOINHIRR-UHFFFAOYSA-N 2 2 306.498 3.331 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCC[C@H](c3ccccc3)O1)CC2 ZINC000931516107 661484759 /nfs/dbraw/zinc/48/47/59/661484759.db2.gz HNZOYCRWMMPGOS-OXQOHEQNSA-N 2 2 323.440 3.332 20 0 DGADLP CC(C)O[C@H](C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)c1ccccc1 ZINC000931719660 661502413 /nfs/dbraw/zinc/50/24/13/661502413.db2.gz YCGVMXLGGVNDCE-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)c1ccccc1 ZINC000931719660 661502415 /nfs/dbraw/zinc/50/24/15/661502415.db2.gz YCGVMXLGGVNDCE-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)c1ccccc1 ZINC000931719660 661502417 /nfs/dbraw/zinc/50/24/17/661502417.db2.gz YCGVMXLGGVNDCE-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP CC(C)O[C@H](C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)c1ccccc1 ZINC000931719660 661502419 /nfs/dbraw/zinc/50/24/19/661502419.db2.gz YCGVMXLGGVNDCE-CEXWTWQISA-N 2 2 302.462 3.321 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932397075 661566051 /nfs/dbraw/zinc/56/60/51/661566051.db2.gz MDKVPFXTJPEMKM-UHFFFAOYSA-N 2 2 312.442 3.237 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932397075 661566053 /nfs/dbraw/zinc/56/60/53/661566053.db2.gz MDKVPFXTJPEMKM-UHFFFAOYSA-N 2 2 312.442 3.237 20 0 DGADLP CCOCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933546452 661639980 /nfs/dbraw/zinc/63/99/80/661639980.db2.gz DNIQXKIFWVKJGW-UHFFFAOYSA-N 2 2 302.462 3.110 20 0 DGADLP CCC(=O)CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547736 661640081 /nfs/dbraw/zinc/64/00/81/661640081.db2.gz NDRAPKLLAABQOF-UHFFFAOYSA-N 2 2 314.473 3.443 20 0 DGADLP CCC[N@H+](CC[C@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186203 661685319 /nfs/dbraw/zinc/68/53/19/661685319.db2.gz RAXALHXSKHHLAX-KRWDZBQOSA-N 2 2 304.478 3.134 20 0 DGADLP CCC[N@@H+](CC[C@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186203 661685321 /nfs/dbraw/zinc/68/53/21/661685321.db2.gz RAXALHXSKHHLAX-KRWDZBQOSA-N 2 2 304.478 3.134 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000191286975 662058501 /nfs/dbraw/zinc/05/85/01/662058501.db2.gz SYVZTFFRFZCQLO-WDEREUQCSA-N 2 2 300.805 3.147 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233081 662251561 /nfs/dbraw/zinc/25/15/61/662251561.db2.gz FKKVITCKVVNNQT-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233081 662251562 /nfs/dbraw/zinc/25/15/62/662251562.db2.gz FKKVITCKVVNNQT-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233081 662251564 /nfs/dbraw/zinc/25/15/64/662251564.db2.gz FKKVITCKVVNNQT-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2c3ccccc3oc2=S)C1 ZINC000246233081 662251566 /nfs/dbraw/zinc/25/15/66/662251566.db2.gz FKKVITCKVVNNQT-KBPBESRZSA-N 2 2 317.458 3.337 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000090169111 662254591 /nfs/dbraw/zinc/25/45/91/662254591.db2.gz ZSAFLNROVLBJKF-LJQANCHMSA-N 2 2 309.457 3.267 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000090169111 662254592 /nfs/dbraw/zinc/25/45/92/662254592.db2.gz ZSAFLNROVLBJKF-LJQANCHMSA-N 2 2 309.457 3.267 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912297 662361358 /nfs/dbraw/zinc/36/13/58/662361358.db2.gz IWYVBQHUQGTFJX-UKRRQHHQSA-N 2 2 318.852 3.063 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912297 662361359 /nfs/dbraw/zinc/36/13/59/662361359.db2.gz IWYVBQHUQGTFJX-UKRRQHHQSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912297 662361363 /nfs/dbraw/zinc/36/13/63/662361363.db2.gz IWYVBQHUQGTFJX-UKRRQHHQSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2nc(Cl)c3ccccc32)C1 ZINC000093912297 662361364 /nfs/dbraw/zinc/36/13/64/662361364.db2.gz IWYVBQHUQGTFJX-UKRRQHHQSA-N 2 2 318.852 3.063 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000262292096 685123372 /nfs/dbraw/zinc/12/33/72/685123372.db2.gz NKSXTUDWTVGIGM-OKZBNKHCSA-N 3 2 307.526 3.151 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000378960662 685147264 /nfs/dbraw/zinc/14/72/64/685147264.db2.gz QDLRSYTVNRYCBE-INIZCTEOSA-N 2 2 301.434 3.283 20 0 DGADLP C[C@@H]1CCC[C@@H]([N@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001576678305 1191862188 /nfs/dbraw/zinc/86/21/88/1191862188.db2.gz MUULJMYHHULFEO-IIAWOOMASA-N 2 2 304.434 3.001 20 0 DGADLP C[C@@H]1CCC[C@@H]([N@@H+](CC[NH3+])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001576678305 1191862190 /nfs/dbraw/zinc/86/21/90/1191862190.db2.gz MUULJMYHHULFEO-IIAWOOMASA-N 2 2 304.434 3.001 20 0 DGADLP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC1([NH3+])CCC1 ZINC001576983679 1191878660 /nfs/dbraw/zinc/87/86/60/1191878660.db2.gz DIFOXCASCFYMOV-AWEZNQCLSA-N 2 2 307.457 3.279 20 0 DGADLP CCn1cc(C[NH2+]C[C@@H]2CCCCC[NH2+]2)c(-c2ccccc2)n1 ZINC001578347670 1191938670 /nfs/dbraw/zinc/93/86/70/1191938670.db2.gz BAKUMNYLAOYCJH-SFHVURJKSA-N 2 2 312.461 3.192 20 0 DGADLP Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001620786854 1191962748 /nfs/dbraw/zinc/96/27/48/1191962748.db2.gz XXCZXPRAKBPGGE-KRWDZBQOSA-N 2 2 313.426 3.065 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001579547836 1191979740 /nfs/dbraw/zinc/97/97/40/1191979740.db2.gz MIJWAZIKBSAHKK-UHFFFAOYSA-N 3 2 324.472 3.146 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c2c(n1)CCCC2 ZINC001579598279 1191981717 /nfs/dbraw/zinc/98/17/17/1191981717.db2.gz MWULXXNTPAUTJV-VQTJNVASSA-N 2 2 321.468 3.196 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c2c(n1)CCCC2 ZINC001579598279 1191981719 /nfs/dbraw/zinc/98/17/19/1191981719.db2.gz MWULXXNTPAUTJV-VQTJNVASSA-N 2 2 321.468 3.196 20 0 DGADLP Cc1sc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Br ZINC001579934015 1191999250 /nfs/dbraw/zinc/99/92/50/1191999250.db2.gz HNWCANFOANZZPU-LBPRGKRZSA-N 2 2 315.280 3.193 20 0 DGADLP Clc1cccc(OCCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001579938448 1192000210 /nfs/dbraw/zinc/00/02/10/1192000210.db2.gz GJMFHMMGNOQYGX-KRWDZBQOSA-N 2 2 308.853 3.327 20 0 DGADLP Clc1cccc(OCCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001579938448 1192000213 /nfs/dbraw/zinc/00/02/13/1192000213.db2.gz GJMFHMMGNOQYGX-KRWDZBQOSA-N 2 2 308.853 3.327 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC001580122628 1192007942 /nfs/dbraw/zinc/00/79/42/1192007942.db2.gz YJZJVRSSBZOUCX-QGZVFWFLSA-N 2 2 319.399 3.109 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC001580122628 1192007944 /nfs/dbraw/zinc/00/79/44/1192007944.db2.gz YJZJVRSSBZOUCX-QGZVFWFLSA-N 2 2 319.399 3.109 20 0 DGADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253531 1192016110 /nfs/dbraw/zinc/01/61/10/1192016110.db2.gz OIBQMIIFXSQUDW-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1cccc(Oc2ccccn2)c1 ZINC001580253531 1192016112 /nfs/dbraw/zinc/01/61/12/1192016112.db2.gz OIBQMIIFXSQUDW-VQIMIIECSA-N 2 2 309.413 3.187 20 0 DGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)CCCO2 ZINC001580890124 1192044208 /nfs/dbraw/zinc/04/42/08/1192044208.db2.gz IEHZDNMTIZENNS-QZTJIDSGSA-N 2 2 300.446 3.118 20 0 DGADLP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)CCCO2 ZINC001580890124 1192044210 /nfs/dbraw/zinc/04/42/10/1192044210.db2.gz IEHZDNMTIZENNS-QZTJIDSGSA-N 2 2 300.446 3.118 20 0 DGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC/C=C\c3ccccc3)[nH+]c2)C1 ZINC001620867079 1192487061 /nfs/dbraw/zinc/48/70/61/1192487061.db2.gz SWPZBHOMPKIQPF-QBUQCISBSA-N 2 2 322.456 3.347 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000086818831 1177546085 /nfs/dbraw/zinc/54/60/85/1177546085.db2.gz FZEYKAJLCOSWGC-ZDUSSCGKSA-N 2 2 315.230 3.162 20 0 DGADLP c1cn2cc(C[NH+]3CCC4(C[NH+](C5CCCC5)C4)CC3)ccc2[nH+]1 ZINC001275797298 1177938825 /nfs/dbraw/zinc/93/88/25/1177938825.db2.gz JZEVNAXGVCFMTQ-UHFFFAOYSA-N 3 2 324.472 3.175 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](CC(C)C)C(C)C)c(C)[nH+]1 ZINC001691742453 1177986642 /nfs/dbraw/zinc/98/66/42/1177986642.db2.gz XVYYIUQBAZWTDC-UHFFFAOYSA-N 2 2 319.493 3.493 20 0 DGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](CC(C)C)C(C)C)c(C)[nH+]1 ZINC001691742453 1177986654 /nfs/dbraw/zinc/98/66/54/1177986654.db2.gz XVYYIUQBAZWTDC-UHFFFAOYSA-N 2 2 319.493 3.493 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC001331250980 1178164846 /nfs/dbraw/zinc/16/48/46/1178164846.db2.gz AFJYPBJWRJCBKO-DLBZAZTESA-N 2 2 317.477 3.024 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC001331250980 1178164839 /nfs/dbraw/zinc/16/48/39/1178164839.db2.gz AFJYPBJWRJCBKO-DLBZAZTESA-N 2 2 317.477 3.024 20 0 DGADLP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331490657 1178225888 /nfs/dbraw/zinc/22/58/88/1178225888.db2.gz QMKQMQNQDSNKNH-AWEZNQCLSA-N 2 2 316.449 3.049 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001333021086 1178541255 /nfs/dbraw/zinc/54/12/55/1178541255.db2.gz BORAPXXRSWMQSH-HZPDHXFCSA-N 2 2 305.466 3.022 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC001333021086 1178541260 /nfs/dbraw/zinc/54/12/60/1178541260.db2.gz BORAPXXRSWMQSH-HZPDHXFCSA-N 2 2 305.466 3.022 20 0 DGADLP CC1CC[NH+](C2CCC(Nc3nccn4c[nH+]cc34)CC2)CC1 ZINC001333724451 1178661167 /nfs/dbraw/zinc/66/11/67/1178661167.db2.gz MFIWRYCOZCTCIG-UHFFFAOYSA-N 2 2 313.449 3.184 20 0 DGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001335403404 1178905102 /nfs/dbraw/zinc/90/51/02/1178905102.db2.gz BPQDEOXIJUXNQS-OAHLLOKOSA-N 2 2 302.462 3.316 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)cc2)[nH+]c1C ZINC001342455005 1179142161 /nfs/dbraw/zinc/14/21/61/1179142161.db2.gz RWXYYPMJAPGUID-IAQYHMDHSA-N 2 2 312.417 3.020 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC001351161245 1180180721 /nfs/dbraw/zinc/18/07/21/1180180721.db2.gz FYDYSEGJTLLLMD-OAHLLOKOSA-N 2 2 301.409 3.344 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC001351161245 1180180726 /nfs/dbraw/zinc/18/07/26/1180180726.db2.gz FYDYSEGJTLLLMD-OAHLLOKOSA-N 2 2 301.409 3.344 20 0 DGADLP COc1ccc2[nH+]ccc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC001351976467 1180272360 /nfs/dbraw/zinc/27/23/60/1180272360.db2.gz VTZUMWCKLWOGRC-AWEZNQCLSA-N 2 2 308.385 3.281 20 0 DGADLP [NH3+][C@@H](c1noc([C@@H]([NH3+])C2CCCCCC2)n1)c1ccccc1 ZINC001352141074 1180301529 /nfs/dbraw/zinc/30/15/29/1180301529.db2.gz GVFJDTGLLBDCQY-CABCVRRESA-N 2 2 300.406 3.088 20 0 DGADLP Cc1ccc2sc(NCC[N@@H+](C)CCC[NH+](C)C)nc2c1C ZINC001472829254 1180896874 /nfs/dbraw/zinc/89/68/74/1180896874.db2.gz ZSAPEJVYGQTVGN-UHFFFAOYSA-N 2 2 320.506 3.209 20 0 DGADLP Cc1ccc2sc(NCC[N@H+](C)CCC[NH+](C)C)nc2c1C ZINC001472829254 1180896889 /nfs/dbraw/zinc/89/68/89/1180896889.db2.gz ZSAPEJVYGQTVGN-UHFFFAOYSA-N 2 2 320.506 3.209 20 0 DGADLP CC(C)C[C@@H](C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)n1cc[nH+]c1 ZINC001355600404 1181074776 /nfs/dbraw/zinc/07/47/76/1181074776.db2.gz OYUAOTUDYNBYFC-INIZCTEOSA-N 2 2 314.433 3.303 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cn1 ZINC001459904872 1182628233 /nfs/dbraw/zinc/62/82/33/1182628233.db2.gz XDRQAZMNGDUEMK-HZPDHXFCSA-N 2 2 324.472 3.031 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965299 1182635218 /nfs/dbraw/zinc/63/52/18/1182635218.db2.gz HWCPJAJCQBSEMW-VAMGGRTRSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001459965299 1182635221 /nfs/dbraw/zinc/63/52/21/1182635221.db2.gz HWCPJAJCQBSEMW-VAMGGRTRSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001459965299 1182635223 /nfs/dbraw/zinc/63/52/23/1182635223.db2.gz HWCPJAJCQBSEMW-VAMGGRTRSA-N 2 2 318.505 3.380 20 0 DGADLP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001459965299 1182635227 /nfs/dbraw/zinc/63/52/27/1182635227.db2.gz HWCPJAJCQBSEMW-VAMGGRTRSA-N 2 2 318.505 3.380 20 0 DGADLP C[N@H+](CCC(C)(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001460295612 1182674614 /nfs/dbraw/zinc/67/46/14/1182674614.db2.gz ATHYNXUVMHRZRO-UHFFFAOYSA-N 2 2 304.478 3.387 20 0 DGADLP C[N@@H+](CCC(C)(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001460295612 1182674615 /nfs/dbraw/zinc/67/46/15/1182674615.db2.gz ATHYNXUVMHRZRO-UHFFFAOYSA-N 2 2 304.478 3.387 20 0 DGADLP Cc1ccc2ncc(C[NH+]3C[C@]4(C)C[NH+](C)C[C@@]4(C)C3)cc2c1 ZINC001460557401 1182696710 /nfs/dbraw/zinc/69/67/10/1182696710.db2.gz CTWHKHFVPLWZRU-PMACEKPBSA-N 2 2 309.457 3.317 20 0 DGADLP C=C/C=C/CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001460831365 1182728794 /nfs/dbraw/zinc/72/87/94/1182728794.db2.gz ACCBLFGLVLZKAX-ONEGZZNKSA-N 2 2 314.473 3.343 20 0 DGADLP C=C/C=C/CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001460831365 1182728800 /nfs/dbraw/zinc/72/88/00/1182728800.db2.gz ACCBLFGLVLZKAX-ONEGZZNKSA-N 2 2 314.473 3.343 20 0 DGADLP C=C/C=C/CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001460831365 1182728806 /nfs/dbraw/zinc/72/88/06/1182728806.db2.gz ACCBLFGLVLZKAX-ONEGZZNKSA-N 2 2 314.473 3.343 20 0 DGADLP C=C/C=C/CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001460831365 1182728814 /nfs/dbraw/zinc/72/88/14/1182728814.db2.gz ACCBLFGLVLZKAX-ONEGZZNKSA-N 2 2 314.473 3.343 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC001461039725 1182759461 /nfs/dbraw/zinc/75/94/61/1182759461.db2.gz MIFXKVTYNLKUTI-GFCCVEGCSA-N 2 2 300.793 3.263 20 0 DGADLP CC(C)COc1ccccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001461092038 1182766720 /nfs/dbraw/zinc/76/67/20/1182766720.db2.gz AOJMHNBFUWVHOI-UHFFFAOYSA-N 2 2 313.445 3.472 20 0 DGADLP Fc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1OC(F)F ZINC001461090845 1182766921 /nfs/dbraw/zinc/76/69/21/1182766921.db2.gz FDVZERIMXANXMA-UHFFFAOYSA-N 2 2 313.323 3.194 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(C2CCCC2)c1 ZINC001461177910 1182777964 /nfs/dbraw/zinc/77/79/64/1182777964.db2.gz KSXQYTVBWQWIQM-VQTJNVASSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(C2CCCC2)c1 ZINC001461177910 1182777969 /nfs/dbraw/zinc/77/79/69/1182777969.db2.gz KSXQYTVBWQWIQM-VQTJNVASSA-N 2 2 314.473 3.297 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c(C)c1 ZINC001461520687 1182822168 /nfs/dbraw/zinc/82/21/68/1182822168.db2.gz KZFNCZRFQVBUBA-LKJUBWIJSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c(C)c1 ZINC001461520687 1182822179 /nfs/dbraw/zinc/82/21/79/1182822179.db2.gz KZFNCZRFQVBUBA-LKJUBWIJSA-N 2 2 316.489 3.061 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H]3COCc4ccccc43)c2)c[nH+]1 ZINC001461590480 1182832994 /nfs/dbraw/zinc/83/29/94/1182832994.db2.gz XXFBAHKDBRIISF-KRWDZBQOSA-N 2 2 311.410 3.295 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC001461919320 1182876300 /nfs/dbraw/zinc/87/63/00/1182876300.db2.gz NIDCORNKTAQRQS-INIZCTEOSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC001461919320 1182876309 /nfs/dbraw/zinc/87/63/09/1182876309.db2.gz NIDCORNKTAQRQS-INIZCTEOSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC001461919320 1182876314 /nfs/dbraw/zinc/87/63/14/1182876314.db2.gz NIDCORNKTAQRQS-INIZCTEOSA-N 2 2 320.452 3.388 20 0 DGADLP CCOc1cc(F)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001461919320 1182876322 /nfs/dbraw/zinc/87/63/22/1182876322.db2.gz NIDCORNKTAQRQS-INIZCTEOSA-N 2 2 320.452 3.388 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C12CCCC2 ZINC001462488350 1182961410 /nfs/dbraw/zinc/96/14/10/1182961410.db2.gz QTRWCOWTYKSEDB-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C12CCCC2 ZINC001462488350 1182961412 /nfs/dbraw/zinc/96/14/12/1182961412.db2.gz QTRWCOWTYKSEDB-OKZBNKHCSA-N 2 2 306.494 3.331 20 0 DGADLP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001464576890 1183101416 /nfs/dbraw/zinc/10/14/16/1183101416.db2.gz XWBVJJLXKDCCDE-LBPRGKRZSA-N 2 2 320.824 3.052 20 0 DGADLP Cc1cc(C)c(NC(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC001466756702 1183222989 /nfs/dbraw/zinc/22/29/89/1183222989.db2.gz VCNODNMIGGIBDC-UHFFFAOYSA-N 2 2 318.465 3.343 20 0 DGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@@H]1C ZINC001472705241 1183669864 /nfs/dbraw/zinc/66/98/64/1183669864.db2.gz UJNXGBZTHCJOMK-HOCLYGCPSA-N 2 2 302.466 3.362 20 0 DGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C3CCC3)n2)C[C@@H]1C ZINC001472705241 1183669867 /nfs/dbraw/zinc/66/98/67/1183669867.db2.gz UJNXGBZTHCJOMK-HOCLYGCPSA-N 2 2 302.466 3.362 20 0 DGADLP CCO[C@H](CNc1cc(C(C)C)[nH+]c(C(C)C)n1)C[NH+](C)C ZINC001472872548 1183693105 /nfs/dbraw/zinc/69/31/05/1183693105.db2.gz QSLPBDPBRKDFJD-CQSZACIVSA-N 2 2 308.470 3.102 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1(CO)CCCC1 ZINC001473531513 1183770623 /nfs/dbraw/zinc/77/06/23/1183770623.db2.gz ISCHEJFPPMHBBX-KSZLIROESA-N 2 2 310.526 3.131 20 0 DGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1(CO)CCCC1 ZINC001473531513 1183770626 /nfs/dbraw/zinc/77/06/26/1183770626.db2.gz ISCHEJFPPMHBBX-KSZLIROESA-N 2 2 310.526 3.131 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716552 1183792677 /nfs/dbraw/zinc/79/26/77/1183792677.db2.gz HOSZVOSHROXUNU-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716552 1183792678 /nfs/dbraw/zinc/79/26/78/1183792678.db2.gz HOSZVOSHROXUNU-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCSCc1ccccc1 ZINC001473789007 1183802608 /nfs/dbraw/zinc/80/26/08/1183802608.db2.gz YIPORWJWKBVQTF-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCSCc1ccccc1 ZINC001473789007 1183802612 /nfs/dbraw/zinc/80/26/12/1183802612.db2.gz YIPORWJWKBVQTF-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCSCc1ccccc1 ZINC001473789007 1183802614 /nfs/dbraw/zinc/80/26/14/1183802614.db2.gz YIPORWJWKBVQTF-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCSCc1ccccc1 ZINC001473789007 1183802617 /nfs/dbraw/zinc/80/26/17/1183802617.db2.gz YIPORWJWKBVQTF-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001473789115 1183802967 /nfs/dbraw/zinc/80/29/67/1183802967.db2.gz YUGHGGZMISFJSB-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001473789115 1183802968 /nfs/dbraw/zinc/80/29/68/1183802968.db2.gz YUGHGGZMISFJSB-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001473789115 1183802969 /nfs/dbraw/zinc/80/29/69/1183802969.db2.gz YUGHGGZMISFJSB-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](COCc1ccccc1)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001473789115 1183802970 /nfs/dbraw/zinc/80/29/70/1183802970.db2.gz YUGHGGZMISFJSB-YTQUADARSA-N 2 2 302.462 3.008 20 0 DGADLP CCCCC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001473871362 1183815641 /nfs/dbraw/zinc/81/56/41/1183815641.db2.gz SBLOTNWFTPOAAT-UHFFFAOYSA-N 2 2 302.462 3.331 20 0 DGADLP COCc1ccccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001473922365 1183828979 /nfs/dbraw/zinc/82/89/79/1183828979.db2.gz OKCKLUOJPKIRAV-UHFFFAOYSA-N 2 2 313.426 3.370 20 0 DGADLP c1ccc(NCCC[NH2+]Cc2ccccc2OCC2CC2)[nH+]c1 ZINC001474034770 1183855172 /nfs/dbraw/zinc/85/51/72/1183855172.db2.gz HIXUFMGEUXCYTF-UHFFFAOYSA-N 2 2 311.429 3.462 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCO2 ZINC001474112669 1183869801 /nfs/dbraw/zinc/86/98/01/1183869801.db2.gz APADXOTVIXLQJS-QGZVFWFLSA-N 2 2 324.359 3.020 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC001474200131 1183882042 /nfs/dbraw/zinc/88/20/42/1183882042.db2.gz RDXNBMOHBYTCON-UHFFFAOYSA-N 2 2 318.383 3.479 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC001474200131 1183882044 /nfs/dbraw/zinc/88/20/44/1183882044.db2.gz RDXNBMOHBYTCON-UHFFFAOYSA-N 2 2 318.383 3.479 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC001474386477 1183913605 /nfs/dbraw/zinc/91/36/05/1183913605.db2.gz PHZXTMFFCIOCNQ-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccnc2N)CC[N@H+]1Cc1ccccc1 ZINC001474386477 1183913606 /nfs/dbraw/zinc/91/36/06/1183913606.db2.gz PHZXTMFFCIOCNQ-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386477 1183913607 /nfs/dbraw/zinc/91/36/07/1183913607.db2.gz PHZXTMFFCIOCNQ-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccnc2N)CC[NH+]1Cc1ccccc1 ZINC001474386477 1183913608 /nfs/dbraw/zinc/91/36/08/1183913608.db2.gz PHZXTMFFCIOCNQ-VQIMIIECSA-N 2 2 324.472 3.149 20 0 DGADLP CC[C@](C)(C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001474547505 1183938012 /nfs/dbraw/zinc/93/80/12/1183938012.db2.gz YWAQUBVYRLOKAK-MRXNPFEDSA-N 2 2 307.825 3.430 20 0 DGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC(C)(C)C ZINC001480485928 1184536452 /nfs/dbraw/zinc/53/64/52/1184536452.db2.gz GPJNBSSELIMRDJ-CYBMUJFWSA-N 2 2 316.449 3.097 20 0 DGADLP CCC[NH2+][C@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001506388771 1186220110 /nfs/dbraw/zinc/22/01/10/1186220110.db2.gz YIVWVDMOCRBJNP-QGZVFWFLSA-N 2 2 319.493 3.493 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC001549088302 1186689654 /nfs/dbraw/zinc/68/96/54/1186689654.db2.gz NYAALRSXHXCFAA-ZWNOBZJWSA-N 2 2 304.381 3.328 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC001549088302 1186689660 /nfs/dbraw/zinc/68/96/60/1186689660.db2.gz NYAALRSXHXCFAA-ZWNOBZJWSA-N 2 2 304.381 3.328 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)o1 ZINC001549118166 1188497085 /nfs/dbraw/zinc/49/70/85/1188497085.db2.gz WZXGDJUCEUDDML-DNVCBOLYSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)o1 ZINC001549118166 1188497087 /nfs/dbraw/zinc/49/70/87/1188497087.db2.gz WZXGDJUCEUDDML-DNVCBOLYSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(Cl)n1 ZINC001549224498 1188507848 /nfs/dbraw/zinc/50/78/48/1188507848.db2.gz ZBJUDDCLZACBNL-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(Cl)n1 ZINC001549224498 1188507852 /nfs/dbraw/zinc/50/78/52/1188507852.db2.gz ZBJUDDCLZACBNL-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(C)n1 ZINC001549337792 1188513516 /nfs/dbraw/zinc/51/35/16/1188513516.db2.gz SXQIOCKPQMCXHA-DBVUQKKJSA-N 2 2 309.457 3.495 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001549709971 1188535246 /nfs/dbraw/zinc/53/52/46/1188535246.db2.gz GXKGQODGALHMFU-ACJLOTCBSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1coc(-c3ccccc3F)n1)C2 ZINC001549709971 1188535250 /nfs/dbraw/zinc/53/52/50/1188535250.db2.gz GXKGQODGALHMFU-ACJLOTCBSA-N 2 2 315.392 3.042 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001550057667 1188576042 /nfs/dbraw/zinc/57/60/42/1188576042.db2.gz BAEISCBIAKNQLY-HNNXBMFYSA-N 2 2 317.408 3.338 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001550057667 1188576046 /nfs/dbraw/zinc/57/60/46/1188576046.db2.gz BAEISCBIAKNQLY-HNNXBMFYSA-N 2 2 317.408 3.338 20 0 DGADLP C[NH+](C)Cc1nc(C[NH2+][C@@H]2[C@H](c3ccccc3)C2(C)C)cs1 ZINC001550128198 1188583826 /nfs/dbraw/zinc/58/38/26/1188583826.db2.gz IDQUZSXJHANULW-DLBZAZTESA-N 2 2 315.486 3.487 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]3CCC[C@@H]3[NH3+])cc2)[nH+]c1C ZINC001550219003 1188595206 /nfs/dbraw/zinc/59/52/06/1188595206.db2.gz RIMXTAVFOVEYJC-HOCLYGCPSA-N 2 2 312.417 3.150 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001550520205 1188618764 /nfs/dbraw/zinc/61/87/64/1188618764.db2.gz KHOHPHFAMUDKCA-RYRKJORJSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001550520205 1188618766 /nfs/dbraw/zinc/61/87/66/1188618766.db2.gz KHOHPHFAMUDKCA-RYRKJORJSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001550531111 1188619794 /nfs/dbraw/zinc/61/97/94/1188619794.db2.gz HNVXNIKXZHWNIV-HZPDHXFCSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001550531111 1188619795 /nfs/dbraw/zinc/61/97/95/1188619795.db2.gz HNVXNIKXZHWNIV-HZPDHXFCSA-N 2 2 303.450 3.091 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)cs1 ZINC001550540625 1188622419 /nfs/dbraw/zinc/62/24/19/1188622419.db2.gz HYMNEXPUNFSTKI-HUUCEWRRSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)cs1 ZINC001550540625 1188622421 /nfs/dbraw/zinc/62/24/21/1188622421.db2.gz HYMNEXPUNFSTKI-HUUCEWRRSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@H]3C[N@@H+](C)CC[C@@H]3C2)cs1 ZINC001550540625 1188622425 /nfs/dbraw/zinc/62/24/25/1188622425.db2.gz HYMNEXPUNFSTKI-HUUCEWRRSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@H]3C[N@H+](C)CC[C@@H]3C2)cs1 ZINC001550540625 1188622428 /nfs/dbraw/zinc/62/24/28/1188622428.db2.gz HYMNEXPUNFSTKI-HUUCEWRRSA-N 2 2 307.507 3.115 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541020 1188622800 /nfs/dbraw/zinc/62/28/00/1188622800.db2.gz PGICLGQQLIWIQQ-GXTWGEPZSA-N 2 2 319.499 3.255 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541020 1188622802 /nfs/dbraw/zinc/62/28/02/1188622802.db2.gz PGICLGQQLIWIQQ-GXTWGEPZSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541020 1188622814 /nfs/dbraw/zinc/62/28/14/1188622814.db2.gz PGICLGQQLIWIQQ-GXTWGEPZSA-N 2 2 319.499 3.255 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@H]2C1 ZINC001550541020 1188622816 /nfs/dbraw/zinc/62/28/16/1188622816.db2.gz PGICLGQQLIWIQQ-GXTWGEPZSA-N 2 2 319.499 3.255 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)cn1 ZINC001550621384 1188632520 /nfs/dbraw/zinc/63/25/20/1188632520.db2.gz UWCUDEOLIWZJAT-QGZVFWFLSA-N 2 2 312.461 3.393 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)cn1 ZINC001550621384 1188632526 /nfs/dbraw/zinc/63/25/26/1188632526.db2.gz UWCUDEOLIWZJAT-QGZVFWFLSA-N 2 2 312.461 3.393 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC001550623797 1188632930 /nfs/dbraw/zinc/63/29/30/1188632930.db2.gz RWIORZFXPJTHSI-INIZCTEOSA-N 2 2 310.445 3.074 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC001550623797 1188632936 /nfs/dbraw/zinc/63/29/36/1188632936.db2.gz RWIORZFXPJTHSI-INIZCTEOSA-N 2 2 310.445 3.074 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001553023672 1188890222 /nfs/dbraw/zinc/89/02/22/1188890222.db2.gz OLHHDUWOOZESLM-OTWHNJEPSA-N 3 2 319.537 3.150 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@H]3C1(C)C)CCC2 ZINC001553024257 1188890416 /nfs/dbraw/zinc/89/04/16/1188890416.db2.gz NJKSDIPEIYGRHR-JOCBIADPSA-N 2 2 316.493 3.208 20 0 DGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC001553291643 1188914266 /nfs/dbraw/zinc/91/42/66/1188914266.db2.gz QOURMZZMLVJJNQ-BZSNNMDCSA-N 2 2 300.446 3.089 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001553898898 1188955570 /nfs/dbraw/zinc/95/55/70/1188955570.db2.gz YKFWQAOCSBPTEM-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001553898898 1188955571 /nfs/dbraw/zinc/95/55/71/1188955571.db2.gz YKFWQAOCSBPTEM-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP CC(C)C[N@H+](C)CCCNc1nc2ccccc2n2c[nH+]cc12 ZINC001559229091 1189183728 /nfs/dbraw/zinc/18/37/28/1189183728.db2.gz ZJWKKSKFVMNIDJ-UHFFFAOYSA-N 2 2 311.433 3.272 20 0 DGADLP CC(C)C[N@@H+](C)CCCNc1nc2ccccc2n2c[nH+]cc12 ZINC001559229091 1189183733 /nfs/dbraw/zinc/18/37/33/1189183733.db2.gz ZJWKKSKFVMNIDJ-UHFFFAOYSA-N 2 2 311.433 3.272 20 0 DGADLP CCCC[C@H](CC)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001559528455 1189214031 /nfs/dbraw/zinc/21/40/31/1189214031.db2.gz FSDKKHXNGPRONL-INIZCTEOSA-N 2 2 305.466 3.429 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929800 1189257459 /nfs/dbraw/zinc/25/74/59/1189257459.db2.gz SXRLYYPYBKLWIM-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929800 1189257461 /nfs/dbraw/zinc/25/74/61/1189257461.db2.gz SXRLYYPYBKLWIM-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929800 1189257463 /nfs/dbraw/zinc/25/74/63/1189257463.db2.gz SXRLYYPYBKLWIM-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001559929800 1189257465 /nfs/dbraw/zinc/25/74/65/1189257465.db2.gz SXRLYYPYBKLWIM-QWFCFKBJSA-N 2 2 316.489 3.398 20 0 DGADLP c1cn(C[C@@H]([NH2+]CCSc2ccncc2)c2ccccc2)c[nH+]1 ZINC001560098760 1189278123 /nfs/dbraw/zinc/27/81/23/1189278123.db2.gz QYKBUXNBGQHIOO-GOSISDBHSA-N 2 2 324.453 3.401 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC001560207552 1189290829 /nfs/dbraw/zinc/29/08/29/1189290829.db2.gz OEQUHDRCDAWXHP-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC001560207552 1189290832 /nfs/dbraw/zinc/29/08/32/1189290832.db2.gz OEQUHDRCDAWXHP-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001560245915 1189298429 /nfs/dbraw/zinc/29/84/29/1189298429.db2.gz XBTUYLYMAMAPOS-GOSISDBHSA-N 2 2 302.462 3.010 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001560245915 1189298435 /nfs/dbraw/zinc/29/84/35/1189298435.db2.gz XBTUYLYMAMAPOS-GOSISDBHSA-N 2 2 302.462 3.010 20 0 DGADLP Fc1cccc(F)c1-c1ncc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC001560247654 1189298980 /nfs/dbraw/zinc/29/89/80/1189298980.db2.gz QIMHPOAGOQYKON-UHFFFAOYSA-N 2 2 320.368 3.075 20 0 DGADLP Cn1cc(C[NH2+]CCCCn2cc[nH+]c2)c(C2CCCCC2)n1 ZINC001560286171 1189304879 /nfs/dbraw/zinc/30/48/79/1189304879.db2.gz YIJJRRQZRCIFQC-UHFFFAOYSA-N 2 2 315.465 3.234 20 0 DGADLP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC001560298922 1189307873 /nfs/dbraw/zinc/30/78/73/1189307873.db2.gz YLYQUSOWJNQFTF-SJORKVTESA-N 2 2 302.462 3.263 20 0 DGADLP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC001560298919 1189308150 /nfs/dbraw/zinc/30/81/50/1189308150.db2.gz YLYQUSOWJNQFTF-DLBZAZTESA-N 2 2 302.462 3.263 20 0 DGADLP C[C@@H](C[NH2+]CC(C)(C)c1ccc(Br)cc1)[NH+](C)C ZINC001560320166 1189311081 /nfs/dbraw/zinc/31/10/81/1189311081.db2.gz PIEMGYUAVBSVAA-LBPRGKRZSA-N 2 2 313.283 3.266 20 0 DGADLP CC(C)C[C@H](CCO)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560351236 1189315612 /nfs/dbraw/zinc/31/56/12/1189315612.db2.gz ULGJSQDLHGYQGV-AWEZNQCLSA-N 2 2 307.463 3.068 20 0 DGADLP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001560358601 1189316814 /nfs/dbraw/zinc/31/68/14/1189316814.db2.gz QGAKXRYVIUHNOU-IEBWSBKVSA-N 2 2 313.445 3.413 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001560523959 1189336449 /nfs/dbraw/zinc/33/64/49/1189336449.db2.gz UQMWVTCRCBAQME-UHFFFAOYSA-N 2 2 315.461 3.311 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001560523959 1189336454 /nfs/dbraw/zinc/33/64/54/1189336454.db2.gz UQMWVTCRCBAQME-UHFFFAOYSA-N 2 2 315.461 3.311 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001560624124 1189351223 /nfs/dbraw/zinc/35/12/23/1189351223.db2.gz CCCRJCSXMGDXQK-LBPRGKRZSA-N 2 2 314.376 3.218 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001560704743 1189363557 /nfs/dbraw/zinc/36/35/57/1189363557.db2.gz RGPANUGMTWXDAG-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001560704743 1189363565 /nfs/dbraw/zinc/36/35/65/1189363565.db2.gz RGPANUGMTWXDAG-RLLQIKCJSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001561016274 1189421322 /nfs/dbraw/zinc/42/13/22/1189421322.db2.gz SHHHSSIZYZFRSY-IEBWSBKVSA-N 2 2 321.553 3.351 20 0 DGADLP C[C@@H]([NH2+]CC1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001561016274 1189421325 /nfs/dbraw/zinc/42/13/25/1189421325.db2.gz SHHHSSIZYZFRSY-IEBWSBKVSA-N 2 2 321.553 3.351 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CCC2CC2)C(C)C)c(C)[nH+]1 ZINC001568457937 1190527666 /nfs/dbraw/zinc/52/76/66/1190527666.db2.gz UILICQWZFXWZMI-KRWDZBQOSA-N 2 2 317.477 3.151 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)c4ccccc34)C[C@H]21 ZINC001620470921 1193771163 /nfs/dbraw/zinc/77/11/63/1193771163.db2.gz YOKIWQUARWBYEO-VQFNDLOPSA-N 2 2 300.833 3.485 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)c4ccccc34)C[C@H]21 ZINC001620470921 1193771166 /nfs/dbraw/zinc/77/11/66/1193771166.db2.gz YOKIWQUARWBYEO-VQFNDLOPSA-N 2 2 300.833 3.485 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001620693741 1193792038 /nfs/dbraw/zinc/79/20/38/1193792038.db2.gz VTUUHCUTEDEBBT-QGZVFWFLSA-N 2 2 311.429 3.448 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001620693741 1193792044 /nfs/dbraw/zinc/79/20/44/1193792044.db2.gz VTUUHCUTEDEBBT-QGZVFWFLSA-N 2 2 311.429 3.448 20 0 DGADLP CCCn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125859 1193806090 /nfs/dbraw/zinc/80/60/90/1193806090.db2.gz GOPOMUNEUMCCTA-LPHOPBHVSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC001621125859 1193806092 /nfs/dbraw/zinc/80/60/92/1193806092.db2.gz GOPOMUNEUMCCTA-LPHOPBHVSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC001621125859 1193806097 /nfs/dbraw/zinc/80/60/97/1193806097.db2.gz GOPOMUNEUMCCTA-LPHOPBHVSA-N 2 2 316.493 3.050 20 0 DGADLP CCCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC001621125859 1193806098 /nfs/dbraw/zinc/80/60/98/1193806098.db2.gz GOPOMUNEUMCCTA-LPHOPBHVSA-N 2 2 316.493 3.050 20 0 DGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(F)ccc1N(C)C ZINC001621312688 1193829231 /nfs/dbraw/zinc/82/92/31/1193829231.db2.gz ZQPKONILKOLEOK-UHFFFAOYSA-N 2 2 309.473 3.446 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(F)ccc1N(C)C ZINC001621312688 1193829235 /nfs/dbraw/zinc/82/92/35/1193829235.db2.gz ZQPKONILKOLEOK-UHFFFAOYSA-N 2 2 309.473 3.446 20 0 DGADLP Cc1cc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c2ccccc2n1 ZINC001644041927 1195075842 /nfs/dbraw/zinc/07/58/42/1195075842.db2.gz JZVBAYQINLMIHR-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1cc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c2ccccc2n1 ZINC001644041927 1195075844 /nfs/dbraw/zinc/07/58/44/1195075844.db2.gz JZVBAYQINLMIHR-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c2ccccc2n1 ZINC001644041927 1195075848 /nfs/dbraw/zinc/07/58/48/1195075848.db2.gz JZVBAYQINLMIHR-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c2ccccc2n1 ZINC001644041927 1195075852 /nfs/dbraw/zinc/07/58/52/1195075852.db2.gz JZVBAYQINLMIHR-BGYRXZFFSA-N 2 2 309.457 3.317 20 0 DGADLP CC(C)Oc1cccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001644042546 1195076662 /nfs/dbraw/zinc/07/66/62/1195076662.db2.gz OQFHMMAHEAIRJC-RTBURBONSA-N 2 2 302.462 3.247 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@@H+]2CCC[C@H]2C)c1C ZINC001647032498 1195241827 /nfs/dbraw/zinc/24/18/27/1195241827.db2.gz BGNIBPAKVSCIIN-MRXNPFEDSA-N 2 2 304.478 3.332 20 0 DGADLP COCc1c(C)cc(C)c(C[NH2+]CC[N@H+]2CCC[C@H]2C)c1C ZINC001647032498 1195241830 /nfs/dbraw/zinc/24/18/30/1195241830.db2.gz BGNIBPAKVSCIIN-MRXNPFEDSA-N 2 2 304.478 3.332 20 0 DGADLP Cc1cccc(C2=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1C ZINC001648576705 1195310174 /nfs/dbraw/zinc/31/01/74/1195310174.db2.gz AWEDQXVFFJBSDY-LJQANCHMSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cccc(C2=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1C ZINC001648576705 1195310177 /nfs/dbraw/zinc/31/01/77/1195310177.db2.gz AWEDQXVFFJBSDY-LJQANCHMSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cccc(C2=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)c1C ZINC001648576705 1195310182 /nfs/dbraw/zinc/31/01/82/1195310182.db2.gz AWEDQXVFFJBSDY-LJQANCHMSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1cccc(C2=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)c1C ZINC001648576705 1195310187 /nfs/dbraw/zinc/31/01/87/1195310187.db2.gz AWEDQXVFFJBSDY-LJQANCHMSA-N 2 2 316.489 3.094 20 0 DGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001648647761 1195317507 /nfs/dbraw/zinc/31/75/07/1195317507.db2.gz RIDXASCSSGAVHE-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1ncc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)o1 ZINC001648647761 1195317511 /nfs/dbraw/zinc/31/75/11/1195317511.db2.gz RIDXASCSSGAVHE-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP C[C@H](CCc1ccccc1)C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001648742405 1195326945 /nfs/dbraw/zinc/32/69/45/1195326945.db2.gz YBOUGHSCGMSNHB-GUDVDZBRSA-N 2 2 318.505 3.344 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC001648779570 1195331495 /nfs/dbraw/zinc/33/14/95/1195331495.db2.gz GPPUMGWPUSUUBA-LLVKDONJSA-N 2 2 304.444 3.246 20 0 DGADLP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001651116528 1195416222 /nfs/dbraw/zinc/41/62/22/1195416222.db2.gz KCLPKGMFAAEQFS-ABHNRTSZSA-N 2 2 310.526 3.275 20 0 DGADLP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001651116528 1195416225 /nfs/dbraw/zinc/41/62/25/1195416225.db2.gz KCLPKGMFAAEQFS-ABHNRTSZSA-N 2 2 310.526 3.275 20 0 DGADLP Clc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)nc1 ZINC001651170827 1195422746 /nfs/dbraw/zinc/42/27/46/1195422746.db2.gz DSMKVJDXVQRPOS-UHFFFAOYSA-N 2 2 312.804 3.270 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC001651705982 1195500893 /nfs/dbraw/zinc/50/08/93/1195500893.db2.gz FXVFCLOMWXEMIF-NSHDSACASA-N 2 2 323.428 3.458 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC001652459892 1195599058 /nfs/dbraw/zinc/59/90/58/1195599058.db2.gz MTIJHFOIEYNFII-HZPDHXFCSA-N 2 2 303.450 3.039 20 0 DGADLP c1cc(-c2nc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cs2)cs1 ZINC000067187632 1195604190 /nfs/dbraw/zinc/60/41/90/1195604190.db2.gz YUYLOXYWVJLQNO-GFCCVEGCSA-N 2 2 319.499 3.446 20 0 DGADLP c1cc(-c2nc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cs2)cs1 ZINC000067187632 1195604191 /nfs/dbraw/zinc/60/41/91/1195604191.db2.gz YUYLOXYWVJLQNO-GFCCVEGCSA-N 2 2 319.499 3.446 20 0 DGADLP CC1(C)CC[N@H+](Cc2cnn(CC3CCC3)c2)CC(C)(C)[NH2+]1 ZINC001653266297 1195705192 /nfs/dbraw/zinc/70/51/92/1195705192.db2.gz OISNZZJURVNXAF-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP CC1(C)CC[N@@H+](Cc2cnn(CC3CCC3)c2)CC(C)(C)[NH2+]1 ZINC001653266297 1195705196 /nfs/dbraw/zinc/70/51/96/1195705196.db2.gz OISNZZJURVNXAF-UHFFFAOYSA-N 2 2 304.482 3.036 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585005 1195736422 /nfs/dbraw/zinc/73/64/22/1195736422.db2.gz PZDHNMHZXGDYLY-IEBWSBKVSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585005 1195736425 /nfs/dbraw/zinc/73/64/25/1195736425.db2.gz PZDHNMHZXGDYLY-IEBWSBKVSA-N 2 2 308.510 3.390 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC001655239949 1195894091 /nfs/dbraw/zinc/89/40/91/1195894091.db2.gz YTAZFQDXCDJVTI-MSOLQXFVSA-N 2 2 308.510 3.390 20 0 DGADLP CC(C)COc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC001655397189 1195911915 /nfs/dbraw/zinc/91/19/15/1195911915.db2.gz YNWAMNUBOMGVJG-UHFFFAOYSA-N 2 2 301.434 3.488 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C2 ZINC001656045028 1195991219 /nfs/dbraw/zinc/99/12/19/1195991219.db2.gz WMWGSQUHEKNMMQ-FUHWJXTLSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C2 ZINC001656045028 1195991224 /nfs/dbraw/zinc/99/12/24/1195991224.db2.gz WMWGSQUHEKNMMQ-FUHWJXTLSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC001656045027 1195991408 /nfs/dbraw/zinc/99/14/08/1195991408.db2.gz WMWGSQUHEKNMMQ-AEFFLSMTSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C2 ZINC001656045027 1195991411 /nfs/dbraw/zinc/99/14/11/1195991411.db2.gz WMWGSQUHEKNMMQ-AEFFLSMTSA-N 2 2 316.489 3.264 20 0 DGADLP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001656769436 1196070178 /nfs/dbraw/zinc/07/01/78/1196070178.db2.gz BGTOIYVOKYHTJF-HIFRSBDPSA-N 2 2 319.836 3.361 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001657000392 1196091673 /nfs/dbraw/zinc/09/16/73/1196091673.db2.gz QUGIEZBCNAYRMA-UONOGXRCSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001657000392 1196091676 /nfs/dbraw/zinc/09/16/76/1196091676.db2.gz QUGIEZBCNAYRMA-UONOGXRCSA-N 2 2 307.507 3.089 20 0 DGADLP COc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(F)c1 ZINC001657548830 1196153816 /nfs/dbraw/zinc/15/38/16/1196153816.db2.gz WPTBDSVNQNRGAQ-UHFFFAOYSA-N 2 2 317.389 3.371 20 0 DGADLP CCO[C@@H](C[NH2+]C/C(C)=C/c1ccc(Cl)cc1)C[NH+](C)C ZINC001657973356 1196198163 /nfs/dbraw/zinc/19/81/63/1196198163.db2.gz JHHBKZAQNIOBMZ-SHRNQRGKSA-N 2 2 310.869 3.300 20 0 DGADLP c1cn(-c2csc(C[NH2+]Cc3cccc4c3OCC4)c2)c[nH+]1 ZINC001658661877 1196285099 /nfs/dbraw/zinc/28/50/99/1196285099.db2.gz HQDHUARUUNFULE-UHFFFAOYSA-N 2 2 311.410 3.159 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001658904239 1196316913 /nfs/dbraw/zinc/31/69/13/1196316913.db2.gz HXJKRXJPLFYDHV-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001658904239 1196316916 /nfs/dbraw/zinc/31/69/16/1196316916.db2.gz HXJKRXJPLFYDHV-NZSAHSFTSA-N 2 2 302.462 3.056 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001659414875 1196381970 /nfs/dbraw/zinc/38/19/70/1196381970.db2.gz QCLBEUQSKSPKOL-OAHLLOKOSA-N 2 2 311.267 3.066 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001659414875 1196381971 /nfs/dbraw/zinc/38/19/71/1196381971.db2.gz QCLBEUQSKSPKOL-OAHLLOKOSA-N 2 2 311.267 3.066 20 0 DGADLP COc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000075733764 1196414915 /nfs/dbraw/zinc/41/49/15/1196414915.db2.gz JDFKEOKXZSKSGW-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000075810026 1196424202 /nfs/dbraw/zinc/42/42/02/1196424202.db2.gz KHPACZDDNIQHRN-QFBILLFUSA-N 2 2 302.462 3.187 20 0 DGADLP Cc1c(F)nccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001659901914 1196426832 /nfs/dbraw/zinc/42/68/32/1196426832.db2.gz HHFHWTKRDFZEAW-QGZVFWFLSA-N 2 2 310.376 3.257 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC001660007733 1196437013 /nfs/dbraw/zinc/43/70/13/1196437013.db2.gz UYGZVTPCGAATBV-BHIYHBOVSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC001660007733 1196437015 /nfs/dbraw/zinc/43/70/15/1196437015.db2.gz UYGZVTPCGAATBV-BHIYHBOVSA-N 2 2 302.462 3.198 20 0 DGADLP CCOc1cncc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660371068 1196475939 /nfs/dbraw/zinc/47/59/39/1196475939.db2.gz YSTWXPWJBKGJCH-CRAIPNDOSA-N 2 2 305.466 3.033 20 0 DGADLP CCOc1cncc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001660371068 1196475942 /nfs/dbraw/zinc/47/59/42/1196475942.db2.gz YSTWXPWJBKGJCH-CRAIPNDOSA-N 2 2 305.466 3.033 20 0 DGADLP COc1cc(C)[nH+]c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)c1 ZINC001660591910 1196501164 /nfs/dbraw/zinc/50/11/64/1196501164.db2.gz MIQHCQFQVBGFOP-HKUYNNGSSA-N 2 2 317.477 3.093 20 0 DGADLP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678386 1196510808 /nfs/dbraw/zinc/51/08/08/1196510808.db2.gz WXOKQRLDNYHLNS-ARFHVFGLSA-N 2 2 305.466 3.385 20 0 DGADLP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001660678386 1196510815 /nfs/dbraw/zinc/51/08/15/1196510815.db2.gz WXOKQRLDNYHLNS-ARFHVFGLSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001660748522 1196519316 /nfs/dbraw/zinc/51/93/16/1196519316.db2.gz JCQRDVHLLDHQAH-AEFFLSMTSA-N 2 2 307.526 3.103 20 0 DGADLP C[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001660748522 1196519319 /nfs/dbraw/zinc/51/93/19/1196519319.db2.gz JCQRDVHLLDHQAH-AEFFLSMTSA-N 2 2 307.526 3.103 20 0 DGADLP COc1ccsc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001661111118 1196569365 /nfs/dbraw/zinc/56/93/65/1196569365.db2.gz KIHZBGSRXIMPDO-UHFFFAOYSA-N 2 2 317.389 3.371 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000077374676 1196592041 /nfs/dbraw/zinc/59/20/41/1196592041.db2.gz BTRNCDAFJVBVFQ-UHFFFAOYSA-N 2 2 320.502 3.145 20 0 DGADLP Cc1cccn2c(CNc3cccc(OCC[NH+](C)C)c3)c[nH+]c12 ZINC001661774915 1196643531 /nfs/dbraw/zinc/64/35/31/1196643531.db2.gz FQJLWGQQESDDHX-UHFFFAOYSA-N 2 2 324.428 3.195 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188680 1196691979 /nfs/dbraw/zinc/69/19/79/1196691979.db2.gz VOBGNLMLENBUJF-KGLIPLIRSA-N 2 2 324.900 3.299 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188680 1196691981 /nfs/dbraw/zinc/69/19/81/1196691981.db2.gz VOBGNLMLENBUJF-KGLIPLIRSA-N 2 2 324.900 3.299 20 0 DGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3COc4ccccc4C3)cc2)c[nH+]1 ZINC000078482759 1196732818 /nfs/dbraw/zinc/73/28/18/1196732818.db2.gz OPOWXTVOXXYRAN-QGZVFWFLSA-N 2 2 319.408 3.213 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000087575047 1196914981 /nfs/dbraw/zinc/91/49/81/1196914981.db2.gz FBUZXOIGQVHOFB-UHFFFAOYSA-N 2 2 303.269 3.085 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1OCC(F)F ZINC001664471202 1197003973 /nfs/dbraw/zinc/00/39/73/1197003973.db2.gz WVSFSNAOHACAPE-UHFFFAOYSA-N 2 2 312.404 3.248 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1OCC(F)F ZINC001664471202 1197003976 /nfs/dbraw/zinc/00/39/76/1197003976.db2.gz WVSFSNAOHACAPE-UHFFFAOYSA-N 2 2 312.404 3.248 20 0 DGADLP CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102167 1197097586 /nfs/dbraw/zinc/09/75/86/1197097586.db2.gz NPNPUKHADNBLFG-MSOLQXFVSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001665102167 1197097592 /nfs/dbraw/zinc/09/75/92/1197097592.db2.gz NPNPUKHADNBLFG-MSOLQXFVSA-N 2 2 308.510 3.390 20 0 DGADLP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810488 1197200462 /nfs/dbraw/zinc/20/04/62/1197200462.db2.gz WYPPXYKOIRSXJF-LLYBFZRZSA-N 2 2 314.433 3.017 20 0 DGADLP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001665837242 1197204782 /nfs/dbraw/zinc/20/47/82/1197204782.db2.gz KQIQVRJUPQHLPR-FQEVSTJZSA-N 2 2 309.457 3.439 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2ccccc2nc1OC ZINC001665947408 1197219642 /nfs/dbraw/zinc/21/96/42/1197219642.db2.gz ODRCTVYGEUDJMR-OAHLLOKOSA-N 2 2 315.461 3.453 20 0 DGADLP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001669888660 1197499201 /nfs/dbraw/zinc/49/92/01/1197499201.db2.gz SZBFZFXUQARWRU-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001669888660 1197499208 /nfs/dbraw/zinc/49/92/08/1197499208.db2.gz SZBFZFXUQARWRU-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948429 1197692155 /nfs/dbraw/zinc/69/21/55/1197692155.db2.gz CDFMFUQRNYVPBU-KDOFPFPSSA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000323948429 1197692156 /nfs/dbraw/zinc/69/21/56/1197692156.db2.gz CDFMFUQRNYVPBU-KDOFPFPSSA-N 2 2 315.392 3.042 20 0 DGADLP COCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000378879976 1197699582 /nfs/dbraw/zinc/69/95/82/1197699582.db2.gz FPRITOFMSPRFRV-QGZVFWFLSA-N 2 2 301.434 3.234 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378926285 1197702626 /nfs/dbraw/zinc/70/26/26/1197702626.db2.gz TXGOBFAPGISDTB-WDYCEAGBSA-N 3 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000378926285 1197702628 /nfs/dbraw/zinc/70/26/28/1197702628.db2.gz TXGOBFAPGISDTB-WDYCEAGBSA-N 3 2 310.445 3.150 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000380996822 1197705125 /nfs/dbraw/zinc/70/51/25/1197705125.db2.gz MUNBRXCAFHRVHL-KDOFPFPSSA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000380996822 1197705127 /nfs/dbraw/zinc/70/51/27/1197705127.db2.gz MUNBRXCAFHRVHL-KDOFPFPSSA-N 2 2 310.445 3.422 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386802370 1197707410 /nfs/dbraw/zinc/70/74/10/1197707410.db2.gz BXSLSOMRBYPXFU-DOTOQJQBSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@H]1CSC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386802370 1197707414 /nfs/dbraw/zinc/70/74/14/1197707414.db2.gz BXSLSOMRBYPXFU-DOTOQJQBSA-N 2 2 304.503 3.382 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674686646 1197833405 /nfs/dbraw/zinc/83/34/05/1197833405.db2.gz HCJIAKFCOCMEAE-QJTIAFMVSA-N 2 2 314.433 3.016 20 0 DGADLP CC[N@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000091472105 1198420473 /nfs/dbraw/zinc/42/04/73/1198420473.db2.gz IQBDLDOAANZQNR-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000091472105 1198420480 /nfs/dbraw/zinc/42/04/80/1198420480.db2.gz IQBDLDOAANZQNR-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3nc4c(s3)CCC4)c2)c[nH+]1 ZINC000093055994 1198645677 /nfs/dbraw/zinc/64/56/77/1198645677.db2.gz ZXIDZROOVYYQDE-UHFFFAOYSA-N 2 2 324.453 3.166 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428590 1199604665 /nfs/dbraw/zinc/60/46/65/1199604665.db2.gz RWXYGYHIMCRBSB-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108428590 1199604667 /nfs/dbraw/zinc/60/46/67/1199604667.db2.gz RWXYGYHIMCRBSB-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000108428123 1199604838 /nfs/dbraw/zinc/60/48/38/1199604838.db2.gz LBMQMQNCJDCZKK-AWEZNQCLSA-N 2 2 312.889 3.076 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000108428123 1199604840 /nfs/dbraw/zinc/60/48/40/1199604840.db2.gz LBMQMQNCJDCZKK-AWEZNQCLSA-N 2 2 312.889 3.076 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000120753146 1200169082 /nfs/dbraw/zinc/16/90/82/1200169082.db2.gz CUIJUKBRLMOBOP-MRXNPFEDSA-N 2 2 314.477 3.031 20 0 DGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000120753146 1200169086 /nfs/dbraw/zinc/16/90/86/1200169086.db2.gz CUIJUKBRLMOBOP-MRXNPFEDSA-N 2 2 314.477 3.031 20 0 DGADLP CCC[C@H](CC)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000125297161 1200379614 /nfs/dbraw/zinc/37/96/14/1200379614.db2.gz FSYUAWBDAZUKRH-SFHVURJKSA-N 2 2 320.477 3.066 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001752883881 1201993753 /nfs/dbraw/zinc/99/37/53/1201993753.db2.gz MOOABIZUEQOFSS-UONOGXRCSA-N 2 2 322.412 3.032 20 0 DGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CCC(C)C ZINC001753483668 1202271439 /nfs/dbraw/zinc/27/14/39/1202271439.db2.gz QRSVIEDUWPSZOU-MRXNPFEDSA-N 2 2 305.466 3.151 20 0 DGADLP CC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704172 1202317397 /nfs/dbraw/zinc/31/73/97/1202317397.db2.gz WLNIAAONLVYVFA-ROJDOSBLSA-N 2 2 317.477 3.413 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152541198 1202594711 /nfs/dbraw/zinc/59/47/11/1202594711.db2.gz GKNJSCJVQHWKGJ-CYBMUJFWSA-N 2 2 315.383 3.310 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000152541198 1202594712 /nfs/dbraw/zinc/59/47/12/1202594712.db2.gz GKNJSCJVQHWKGJ-CYBMUJFWSA-N 2 2 315.383 3.310 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000152541542 1202594751 /nfs/dbraw/zinc/59/47/51/1202594751.db2.gz NFPXZSJERGSKLE-GJZGRUSLSA-N 2 2 321.534 3.478 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000152541542 1202594752 /nfs/dbraw/zinc/59/47/52/1202594752.db2.gz NFPXZSJERGSKLE-GJZGRUSLSA-N 2 2 321.534 3.478 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320665 1202604697 /nfs/dbraw/zinc/60/46/97/1202604697.db2.gz QERHJFLCNFGBKX-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320665 1202604698 /nfs/dbraw/zinc/60/46/98/1202604698.db2.gz QERHJFLCNFGBKX-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000236919205 1202635116 /nfs/dbraw/zinc/63/51/16/1202635116.db2.gz STOAPTHWBRQQSH-UHFFFAOYSA-N 2 2 312.461 3.063 20 0 DGADLP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713392316 1202644545 /nfs/dbraw/zinc/64/45/45/1202644545.db2.gz BIAHHAKLYQZHAW-QGZVFWFLSA-N 2 2 317.477 3.343 20 0 DGADLP CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001713392316 1202644546 /nfs/dbraw/zinc/64/45/46/1202644546.db2.gz BIAHHAKLYQZHAW-QGZVFWFLSA-N 2 2 317.477 3.343 20 0 DGADLP CC[C@H](C)C[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001713413034 1202647092 /nfs/dbraw/zinc/64/70/92/1202647092.db2.gz IIRYZYYQPKJBBK-GXTWGEPZSA-N 2 2 305.466 3.151 20 0 DGADLP COc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1OC(C)C ZINC000237187565 1202655109 /nfs/dbraw/zinc/65/51/09/1202655109.db2.gz CMQQSLSDMJPYBO-UHFFFAOYSA-N 2 2 320.477 3.445 20 0 DGADLP CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714071489 1202762603 /nfs/dbraw/zinc/76/26/03/1202762603.db2.gz GTOYPMOTXZZLSJ-KRWDZBQOSA-N 2 2 317.477 3.249 20 0 DGADLP CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522127 1202977101 /nfs/dbraw/zinc/97/71/01/1202977101.db2.gz LKMCWVBHIPOHLT-MRXNPFEDSA-N 2 2 303.450 3.001 20 0 DGADLP CC[N@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522127 1202977103 /nfs/dbraw/zinc/97/71/03/1202977103.db2.gz LKMCWVBHIPOHLT-MRXNPFEDSA-N 2 2 303.450 3.001 20 0 DGADLP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001715668094 1203379067 /nfs/dbraw/zinc/37/90/67/1203379067.db2.gz WKGJVCXZOXUPMA-CQSZACIVSA-N 2 2 303.450 3.071 20 0 DGADLP CCC/C=C/CC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716400494 1203466791 /nfs/dbraw/zinc/46/67/91/1203466791.db2.gz CQRCFKGLJFWOCK-VBROQKIQSA-N 2 2 314.433 3.017 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2(C)CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC001724292825 1204018369 /nfs/dbraw/zinc/01/83/69/1204018369.db2.gz VTJPAYRPIFCSFG-UHFFFAOYSA-N 2 2 317.477 3.247 20 0 DGADLP CC[NH2+][C@@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001725210047 1204119646 /nfs/dbraw/zinc/11/96/46/1204119646.db2.gz CYPHOEWDZNERLU-INIZCTEOSA-N 2 2 305.466 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001733537831 1205158060 /nfs/dbraw/zinc/15/80/60/1205158060.db2.gz SILIVVSUDPUPRV-WBVHZDCISA-N 2 2 317.477 3.103 20 0 DGADLP Brc1ccc2c(C3C[NH+](CCC4CC4)C3)[nH+]cn2c1 ZINC001208688593 1081642012 /nfs/dbraw/zinc/64/20/12/1081642012.db2.gz OXAQSUWWNQMOSF-UHFFFAOYSA-N 2 2 320.234 3.296 20 0 DGADLP Cc1[nH+]c(C(C)(C)C)nc(NCC23CC[NH+](CC2)CC3)c1C ZINC001169795620 1081656265 /nfs/dbraw/zinc/65/62/65/1081656265.db2.gz QJEGJYVSSJRCCE-UHFFFAOYSA-N 2 2 302.466 3.289 20 0 DGADLP C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042400256 1081683507 /nfs/dbraw/zinc/68/35/07/1081683507.db2.gz RZJNBNVDWADQRK-NWDGAFQWSA-N 2 2 303.269 3.212 20 0 DGADLP C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042400256 1081683508 /nfs/dbraw/zinc/68/35/08/1081683508.db2.gz RZJNBNVDWADQRK-NWDGAFQWSA-N 2 2 303.269 3.212 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](CCc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001209115222 1081689679 /nfs/dbraw/zinc/68/96/79/1081689679.db2.gz LZJMCYOCAUIXII-GJZGRUSLSA-N 2 2 310.844 3.295 20 0 DGADLP C[C@@H]1CC(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC001209378537 1081714767 /nfs/dbraw/zinc/71/47/67/1081714767.db2.gz BNAQTUAZKGVUKL-HUUCEWRRSA-N 2 2 304.434 3.128 20 0 DGADLP CC(C)CCC[C@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170078025 1082004608 /nfs/dbraw/zinc/00/46/08/1082004608.db2.gz OGUWANFUYGVOTP-HNNXBMFYSA-N 2 2 316.449 3.492 20 0 DGADLP CC(C)CCC[C@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001170078025 1082004615 /nfs/dbraw/zinc/00/46/15/1082004615.db2.gz OGUWANFUYGVOTP-HNNXBMFYSA-N 2 2 316.449 3.492 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)oc1C ZINC001204532759 1082044739 /nfs/dbraw/zinc/04/47/39/1082044739.db2.gz DKJRWQDEUDYFJT-IBGZPJMESA-N 2 2 320.477 3.219 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)oc1C ZINC001204532759 1082044743 /nfs/dbraw/zinc/04/47/43/1082044743.db2.gz DKJRWQDEUDYFJT-IBGZPJMESA-N 2 2 320.477 3.219 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)oc1C ZINC001204532759 1082044747 /nfs/dbraw/zinc/04/47/47/1082044747.db2.gz DKJRWQDEUDYFJT-IBGZPJMESA-N 2 2 320.477 3.219 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)oc1C ZINC001204532759 1082044752 /nfs/dbraw/zinc/04/47/52/1082044752.db2.gz DKJRWQDEUDYFJT-IBGZPJMESA-N 2 2 320.477 3.219 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170098430 1082088752 /nfs/dbraw/zinc/08/87/52/1082088752.db2.gz RRJJRMXRQSQPIR-QAPCUYQASA-N 2 2 302.462 3.438 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000075640799 1082097883 /nfs/dbraw/zinc/09/78/83/1082097883.db2.gz YOLIECHNHUMGCM-LJQANCHMSA-N 2 2 304.478 3.143 20 0 DGADLP C[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000398231224 1082114286 /nfs/dbraw/zinc/11/42/86/1082114286.db2.gz WUUXUMBADGEMLV-VQIMIIECSA-N 3 2 324.472 3.186 20 0 DGADLP C[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398231224 1082114290 /nfs/dbraw/zinc/11/42/90/1082114290.db2.gz WUUXUMBADGEMLV-VQIMIIECSA-N 3 2 324.472 3.186 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(NCC3C[NH+](C)C3)ccc21 ZINC001170258452 1082329511 /nfs/dbraw/zinc/32/95/11/1082329511.db2.gz KWPSCVSDKJZSLS-UHFFFAOYSA-N 2 2 322.412 3.008 20 0 DGADLP CCCCCC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266955019 1082371886 /nfs/dbraw/zinc/37/18/86/1082371886.db2.gz DIKMABCQKUNFQB-OAHLLOKOSA-N 2 2 305.466 3.295 20 0 DGADLP CCN(C)c1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]cc1C ZINC001170447323 1082469263 /nfs/dbraw/zinc/46/92/63/1082469263.db2.gz CLHMMTHQJKWGEL-UHFFFAOYSA-N 2 2 319.497 3.304 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170654669 1083049101 /nfs/dbraw/zinc/04/91/01/1083049101.db2.gz IGSDJVNOMZPEQP-INIZCTEOSA-N 2 2 308.416 3.144 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001170676399 1083083251 /nfs/dbraw/zinc/08/32/51/1083083251.db2.gz BBAMPGBRTLXEEG-HZPDHXFCSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001170676399 1083083255 /nfs/dbraw/zinc/08/32/55/1083083255.db2.gz BBAMPGBRTLXEEG-HZPDHXFCSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001170676400 1083083274 /nfs/dbraw/zinc/08/32/74/1083083274.db2.gz BBAMPGBRTLXEEG-JKSUJKDBSA-N 2 2 320.427 3.429 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001170676400 1083083279 /nfs/dbraw/zinc/08/32/79/1083083279.db2.gz BBAMPGBRTLXEEG-JKSUJKDBSA-N 2 2 320.427 3.429 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092391292 1083118752 /nfs/dbraw/zinc/11/87/52/1083118752.db2.gz TZUUKBUKOSLWKP-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000092391292 1083118758 /nfs/dbraw/zinc/11/87/58/1083118758.db2.gz TZUUKBUKOSLWKP-CQSZACIVSA-N 2 2 301.459 3.242 20 0 DGADLP Cc1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC001170749384 1083281670 /nfs/dbraw/zinc/28/16/70/1083281670.db2.gz ZSDFYVNFZKDJHO-SFHVURJKSA-N 2 2 310.445 3.212 20 0 DGADLP CCCC[NH+](CCCC)CCNc1ccn2cc(N)[nH+]c2c1 ZINC001167733476 1083311025 /nfs/dbraw/zinc/31/10/25/1083311025.db2.gz WXEHNEMZNXRHPL-UHFFFAOYSA-N 2 2 303.454 3.231 20 0 DGADLP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739402 1083326195 /nfs/dbraw/zinc/32/61/95/1083326195.db2.gz DNDKGFLFHRRKGR-ZIAGYGMSSA-N 2 2 316.449 3.240 20 0 DGADLP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739399 1083326224 /nfs/dbraw/zinc/32/62/24/1083326224.db2.gz DNDKGFLFHRRKGR-KBPBESRZSA-N 2 2 316.449 3.240 20 0 DGADLP COC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001183065809 1083871129 /nfs/dbraw/zinc/87/11/29/1083871129.db2.gz PULMYWWDOBIGEL-XJKSGUPXSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1csc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001183065809 1083871136 /nfs/dbraw/zinc/87/11/36/1083871136.db2.gz PULMYWWDOBIGEL-XJKSGUPXSA-N 2 2 324.490 3.087 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167914429 1084141500 /nfs/dbraw/zinc/14/15/00/1084141500.db2.gz VHJGFYDRMRFSCP-QWHZDKJVSA-N 2 2 302.437 3.487 20 0 DGADLP CC(C)C[NH+]1CCC(Nc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001184719668 1084248636 /nfs/dbraw/zinc/24/86/36/1084248636.db2.gz FIJFWDKWZPWHDW-UHFFFAOYSA-N 2 2 323.444 3.415 20 0 DGADLP CCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184851791 1084268681 /nfs/dbraw/zinc/26/86/81/1084268681.db2.gz QCRVBUPKLSZTOL-RHSMWYFYSA-N 2 2 317.477 3.105 20 0 DGADLP C[NH+](C)[C@@H]1C[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1(C)C ZINC001186790303 1084702773 /nfs/dbraw/zinc/70/27/73/1084702773.db2.gz HSDBSDRCNGAUCQ-JKSUJKDBSA-N 2 2 309.417 3.023 20 0 DGADLP CCC[NH2+]CCC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001482001541 1084760285 /nfs/dbraw/zinc/76/02/85/1084760285.db2.gz QQTFLCVIHAAWTR-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(N(C(N)=[NH2+])c2ccc(F)cc2)c1 ZINC001167994567 1086061613 /nfs/dbraw/zinc/06/16/13/1086061613.db2.gz MCTKQMCQFZTUHU-UHFFFAOYSA-N 2 2 309.348 3.258 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](F)C(C)(C)O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032922 1086467484 /nfs/dbraw/zinc/46/74/84/1086467484.db2.gz JHNBEXBBSDMGLO-CYGHRXIMSA-N 2 2 322.468 3.127 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](F)C(C)(C)O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032922 1086467489 /nfs/dbraw/zinc/46/74/89/1086467489.db2.gz JHNBEXBBSDMGLO-CYGHRXIMSA-N 2 2 322.468 3.127 20 0 DGADLP C[C@H]1CC([NH2+]C[C@@H](F)C(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032924 1086467695 /nfs/dbraw/zinc/46/76/95/1086467695.db2.gz JHNBEXBBSDMGLO-RLFYNMQTSA-N 2 2 322.468 3.127 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2C)C1 ZINC001205009196 1086527551 /nfs/dbraw/zinc/52/75/51/1086527551.db2.gz IVPZWKDXAIYSGD-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2C)C1 ZINC001205009196 1086527555 /nfs/dbraw/zinc/52/75/55/1086527555.db2.gz IVPZWKDXAIYSGD-ZDUSSCGKSA-N 2 2 300.368 3.445 20 0 DGADLP CC[N@H+](C1CN(C)C1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058227 1086632016 /nfs/dbraw/zinc/63/20/16/1086632016.db2.gz PIJAYQRPUDUWGL-IRXDYDNUSA-N 2 2 315.505 3.064 20 0 DGADLP CC[N@@H+](C1CN(C)C1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168058227 1086632026 /nfs/dbraw/zinc/63/20/26/1086632026.db2.gz PIJAYQRPUDUWGL-IRXDYDNUSA-N 2 2 315.505 3.064 20 0 DGADLP C[C@@H]1C[C@@H](N2CCn3c[nH+]cc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064737 1086655772 /nfs/dbraw/zinc/65/57/72/1086655772.db2.gz RQRZEWUDDWCBFA-IZZQQSIFSA-N 2 2 324.472 3.140 20 0 DGADLP C[C@@H]1C[C@@H](N2CCn3c[nH+]cc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064737 1086655777 /nfs/dbraw/zinc/65/57/77/1086655777.db2.gz RQRZEWUDDWCBFA-IZZQQSIFSA-N 2 2 324.472 3.140 20 0 DGADLP C[C@H]1CC(N2CCn3c[nH+]cc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064735 1086655883 /nfs/dbraw/zinc/65/58/83/1086655883.db2.gz RQRZEWUDDWCBFA-IRXDYDNUSA-N 2 2 324.472 3.140 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CC[C@@H](C)F)C(C)C)c(C)[nH+]1 ZINC001482544077 1086838562 /nfs/dbraw/zinc/83/85/62/1086838562.db2.gz XMZZUPSKPYDMCJ-CZUORRHYSA-N 2 2 323.456 3.099 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001168168384 1087011242 /nfs/dbraw/zinc/01/12/42/1087011242.db2.gz RRWWJZXPMJORHG-YOEHRIQHSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001168168384 1087011248 /nfs/dbraw/zinc/01/12/48/1087011248.db2.gz RRWWJZXPMJORHG-YOEHRIQHSA-N 2 2 322.880 3.114 20 0 DGADLP Clc1ccc2c(c1)OC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365734 1087387393 /nfs/dbraw/zinc/38/73/93/1087387393.db2.gz VNMNUJQSBNTXHT-INIZCTEOSA-N 2 2 306.837 3.238 20 0 DGADLP CC(C)CC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001307422078 1087445273 /nfs/dbraw/zinc/44/52/73/1087445273.db2.gz GKJKBROTBMVBSI-UHFFFAOYSA-N 2 2 303.494 3.177 20 0 DGADLP CC(C)CC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001307422078 1087445276 /nfs/dbraw/zinc/44/52/76/1087445276.db2.gz GKJKBROTBMVBSI-UHFFFAOYSA-N 2 2 303.494 3.177 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168408768 1087570463 /nfs/dbraw/zinc/57/04/63/1087570463.db2.gz XEDKDSXIVCDYKB-KXBFYZLASA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168415327 1087590642 /nfs/dbraw/zinc/59/06/42/1087590642.db2.gz NSQUBVNCABCJLP-ROUUACIJSA-N 2 2 304.453 3.393 20 0 DGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168415327 1087590646 /nfs/dbraw/zinc/59/06/46/1087590646.db2.gz NSQUBVNCABCJLP-ROUUACIJSA-N 2 2 304.453 3.393 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001168415896 1087592094 /nfs/dbraw/zinc/59/20/94/1087592094.db2.gz SDJGTTDXDXQGQP-MOPGFXCFSA-N 2 2 302.437 3.147 20 0 DGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001168415896 1087592099 /nfs/dbraw/zinc/59/20/99/1087592099.db2.gz SDJGTTDXDXQGQP-MOPGFXCFSA-N 2 2 302.437 3.147 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205110740 1087941574 /nfs/dbraw/zinc/94/15/74/1087941574.db2.gz ZIBFFXXENVERKK-CYBMUJFWSA-N 2 2 302.340 3.027 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205110740 1087941586 /nfs/dbraw/zinc/94/15/86/1087941586.db2.gz ZIBFFXXENVERKK-CYBMUJFWSA-N 2 2 302.340 3.027 20 0 DGADLP Cc1cc2[nH]ccc2c(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)[nH+]1 ZINC001158623101 1087945027 /nfs/dbraw/zinc/94/50/27/1087945027.db2.gz PECHMOXGXPLLGP-HNNXBMFYSA-N 2 2 320.387 3.181 20 0 DGADLP [NH3+]CCOc1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001159153576 1088209177 /nfs/dbraw/zinc/20/91/77/1088209177.db2.gz CWIQZBKSNFGYFR-UHFFFAOYSA-N 2 2 313.788 3.391 20 0 DGADLP Brc1cc(NC=CC2CC[NH2+]CC2)c2[nH+]ccn2c1 ZINC001159170557 1088218467 /nfs/dbraw/zinc/21/84/67/1088218467.db2.gz MGENBKZIYZANHH-ZZXKWVIFSA-N 2 2 321.222 3.022 20 0 DGADLP Brc1ccc2[nH+]ccc(NC3=CCC[NH2+]CC3)c2c1 ZINC001159215613 1088237833 /nfs/dbraw/zinc/23/78/33/1088237833.db2.gz NMQPSPNKTRHUOT-UHFFFAOYSA-N 2 2 318.218 3.098 20 0 DGADLP CC(C)Oc1cc(F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1 ZINC001206647815 1088279098 /nfs/dbraw/zinc/27/90/98/1088279098.db2.gz JOWCIULUAIUHPO-ZDUSSCGKSA-N 2 2 312.404 3.313 20 0 DGADLP CC(C)Oc1cc(F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1 ZINC001206647815 1088279112 /nfs/dbraw/zinc/27/91/12/1088279112.db2.gz JOWCIULUAIUHPO-ZDUSSCGKSA-N 2 2 312.404 3.313 20 0 DGADLP Cc1ccc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)c(C)c1 ZINC001159329461 1088296838 /nfs/dbraw/zinc/29/68/38/1088296838.db2.gz APFVCIOLRAOALL-UHFFFAOYSA-N 2 2 310.445 3.418 20 0 DGADLP C[C@@H](Cc1cccc(F)c1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001168500627 1088378493 /nfs/dbraw/zinc/37/84/93/1088378493.db2.gz KTHJJIHOUGXHPT-HNNXBMFYSA-N 2 2 313.420 3.410 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159572026 1088401236 /nfs/dbraw/zinc/40/12/36/1088401236.db2.gz XKRPVBMDNHYVHD-UHFFFAOYSA-N 2 2 322.456 3.416 20 0 DGADLP CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930535 1088409292 /nfs/dbraw/zinc/40/92/92/1088409292.db2.gz ORXCSAHDFRBWAL-IAGOWNOFSA-N 2 2 322.497 3.097 20 0 DGADLP CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930535 1088409309 /nfs/dbraw/zinc/40/93/09/1088409309.db2.gz ORXCSAHDFRBWAL-IAGOWNOFSA-N 2 2 322.497 3.097 20 0 DGADLP C1=C(Nc2cccc3c2[C@H]2Cc4ccccc4C[N@@H+]2CC3)C[NH2+]C1 ZINC001159656208 1088434856 /nfs/dbraw/zinc/43/48/56/1088434856.db2.gz CBZWOFIMAISYLL-HXUWFJFHSA-N 2 2 317.436 3.241 20 0 DGADLP C1=C(Nc2cccc3c2[C@H]2Cc4ccccc4C[N@H+]2CC3)C[NH2+]C1 ZINC001159656208 1088434867 /nfs/dbraw/zinc/43/48/67/1088434867.db2.gz CBZWOFIMAISYLL-HXUWFJFHSA-N 2 2 317.436 3.241 20 0 DGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1N1CC[NH2+]CC1 ZINC001159814001 1088503681 /nfs/dbraw/zinc/50/36/81/1088503681.db2.gz HQTIREOKOBFCQR-UHFFFAOYSA-N 2 2 308.429 3.421 20 0 DGADLP c1cc(O[C@H]2CC[NH2+]C2)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001159920164 1088550566 /nfs/dbraw/zinc/55/05/66/1088550566.db2.gz WSZJHOXRKXLHJO-SFHVURJKSA-N 2 2 324.428 3.166 20 0 DGADLP CNc1ccc(Nc2ccccc2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001160187194 1088690094 /nfs/dbraw/zinc/69/00/94/1088690094.db2.gz ASXRWGRQSKKHHM-UHFFFAOYSA-N 2 2 312.417 3.245 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236203166 1088696693 /nfs/dbraw/zinc/69/66/93/1088696693.db2.gz WBHNQHINYVPMFZ-CQSZACIVSA-N 2 2 302.340 3.159 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236203166 1088696700 /nfs/dbraw/zinc/69/67/00/1088696700.db2.gz WBHNQHINYVPMFZ-CQSZACIVSA-N 2 2 302.340 3.159 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001160371356 1088766200 /nfs/dbraw/zinc/76/62/00/1088766200.db2.gz CMRTYEQBMCPDSU-UHFFFAOYSA-N 2 2 324.472 3.292 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001160371356 1088766221 /nfs/dbraw/zinc/76/62/21/1088766221.db2.gz CMRTYEQBMCPDSU-UHFFFAOYSA-N 2 2 324.472 3.292 20 0 DGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001160475810 1088826892 /nfs/dbraw/zinc/82/68/92/1088826892.db2.gz JMSYSOSXFVIUJL-ZSOGYDGISA-N 2 2 310.445 3.479 20 0 DGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001160475810 1088826913 /nfs/dbraw/zinc/82/69/13/1088826913.db2.gz JMSYSOSXFVIUJL-ZSOGYDGISA-N 2 2 310.445 3.479 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]cccc2OCc2ccc(F)cc2)C1 ZINC001154990938 1088880043 /nfs/dbraw/zinc/88/00/43/1088880043.db2.gz ZEQYKVXMMKDCTL-HZPDHXFCSA-N 2 2 315.392 3.482 20 0 DGADLP Cc1cc(Cl)c(C)c(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]1 ZINC001160741847 1088939968 /nfs/dbraw/zinc/93/99/68/1088939968.db2.gz SURWDZXEYYJRHJ-GXSJLCMTSA-N 2 2 307.747 3.304 20 0 DGADLP C[C@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c(N3CCCCC3)n2)c1 ZINC001155347596 1089078730 /nfs/dbraw/zinc/07/87/30/1089078730.db2.gz GKSDNZOEQWFAGO-AWEZNQCLSA-N 2 2 321.428 3.431 20 0 DGADLP CSc1c[nH+]c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c(C)c1 ZINC001155459212 1089120573 /nfs/dbraw/zinc/12/05/73/1089120573.db2.gz QHOHWWWNXBJDTG-AWEZNQCLSA-N 2 2 316.474 3.135 20 0 DGADLP Cc1cccc2c(C)cc(NCC[C@H]3CCOC34C[NH2+]C4)[nH+]c12 ZINC001155472232 1089126638 /nfs/dbraw/zinc/12/66/38/1089126638.db2.gz ZVAHBZKVLYHKRS-HNNXBMFYSA-N 2 2 311.429 3.032 20 0 DGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521113 1089143874 /nfs/dbraw/zinc/14/38/74/1089143874.db2.gz FKAUZFIENWQKSZ-PRJTXATQSA-N 2 2 320.481 3.017 20 0 DGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521113 1089143883 /nfs/dbraw/zinc/14/38/83/1089143883.db2.gz FKAUZFIENWQKSZ-PRJTXATQSA-N 2 2 320.481 3.017 20 0 DGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522561 1089145363 /nfs/dbraw/zinc/14/53/63/1089145363.db2.gz XVJWXYGGEXFXDO-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522561 1089145374 /nfs/dbraw/zinc/14/53/74/1089145374.db2.gz XVJWXYGGEXFXDO-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP Cc1cccc2c1cc[nH+]c2N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161277276 1089176875 /nfs/dbraw/zinc/17/68/75/1089176875.db2.gz UFQOFGNAKKHVRA-SHTZXODSSA-N 2 2 311.429 3.018 20 0 DGADLP CSc1nc(NCc2cccc(C[NH+](C)C)c2)cc(C)[nH+]1 ZINC001156043769 1089362949 /nfs/dbraw/zinc/36/29/49/1089362949.db2.gz CUFBBCSWMSKZCA-UHFFFAOYSA-N 2 2 302.447 3.181 20 0 DGADLP Cc1nc(NC[C@H](Cc2ccccc2)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC001161924485 1089474075 /nfs/dbraw/zinc/47/40/75/1089474075.db2.gz VDCJYMIIUHUEJB-KRWDZBQOSA-N 2 2 324.472 3.249 20 0 DGADLP [NH3+]CCCC[NH2+]CCCNc1[nH+]ccc2cccc(Cl)c21 ZINC001162291308 1089660978 /nfs/dbraw/zinc/66/09/78/1089660978.db2.gz CBLFREIYCNYWDA-UHFFFAOYSA-N 3 2 306.841 3.019 20 0 DGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]cc1C(F)(F)F ZINC001162454453 1089739763 /nfs/dbraw/zinc/73/97/63/1089739763.db2.gz OKEWLHWQPRDISZ-NWDGAFQWSA-N 2 2 301.356 3.456 20 0 DGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1C ZINC001162461755 1089745507 /nfs/dbraw/zinc/74/55/07/1089745507.db2.gz QYOPVVVBJVBUBL-DOMZBBRYSA-N 2 2 304.482 3.439 20 0 DGADLP C[C@H]1CCCC[C@H]1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529839 1089775928 /nfs/dbraw/zinc/77/59/28/1089775928.db2.gz DXQVXDOCSZSKAW-RYQLBKOJSA-N 2 2 301.478 3.458 20 0 DGADLP C[C@H]1CCCC[C@H]1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162529839 1089775934 /nfs/dbraw/zinc/77/59/34/1089775934.db2.gz DXQVXDOCSZSKAW-RYQLBKOJSA-N 2 2 301.478 3.458 20 0 DGADLP F[C@]1(CNc2cc3c4c(c2)CCC[NH+]4CCC3)CCCC[NH2+]C1 ZINC001162582454 1089807957 /nfs/dbraw/zinc/80/79/57/1089807957.db2.gz CFUWHRZGHYTMGK-LJQANCHMSA-N 2 2 317.452 3.279 20 0 DGADLP CCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001485175426 1090013436 /nfs/dbraw/zinc/01/34/36/1090013436.db2.gz QRXZMHPMWIIWSG-LSDHHAIUSA-N 2 2 305.466 3.293 20 0 DGADLP COc1cc(Nc2ccc([C@H](C[NH3+])CO)cc2)[nH+]c2ccccc21 ZINC001163052088 1090063413 /nfs/dbraw/zinc/06/34/13/1090063413.db2.gz FRSWFQDKRXGUHJ-CQSZACIVSA-N 2 2 323.396 3.022 20 0 DGADLP Cc1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]c2c1cccc2C(C)C ZINC001163193173 1090108517 /nfs/dbraw/zinc/10/85/17/1090108517.db2.gz MWODJDKCSURJFA-AUUYWEPGSA-N 2 2 311.429 3.209 20 0 DGADLP COc1ccccc1-n1c[nH+]c2cc(N[C@H](C)C[NH+](C)C)ccc21 ZINC001163786131 1090258442 /nfs/dbraw/zinc/25/84/42/1090258442.db2.gz KNVTWRFJNSLVRJ-CQSZACIVSA-N 2 2 324.428 3.396 20 0 DGADLP COc1c[nH+]c(NCc2cccc(C[NH+](C)C)c2)c2[nH]ccc21 ZINC001163992204 1090310269 /nfs/dbraw/zinc/31/02/69/1090310269.db2.gz ACYOVCLOUIULPK-UHFFFAOYSA-N 2 2 310.401 3.245 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164491444 1090432269 /nfs/dbraw/zinc/43/22/69/1090432269.db2.gz DMZBMZUYYVLSKZ-KZNAEPCWSA-N 2 2 323.440 3.413 20 0 DGADLP COc1cc[nH+]cc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001164491444 1090432272 /nfs/dbraw/zinc/43/22/72/1090432272.db2.gz DMZBMZUYYVLSKZ-KZNAEPCWSA-N 2 2 323.440 3.413 20 0 DGADLP Cc1ccc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)[nH+]c1C ZINC001165088640 1090463277 /nfs/dbraw/zinc/46/32/77/1090463277.db2.gz RZPPGBRDVZEULN-OALUTQOASA-N 2 2 307.441 3.409 20 0 DGADLP Cc1ccc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)[nH+]c1C ZINC001165088640 1090463284 /nfs/dbraw/zinc/46/32/84/1090463284.db2.gz RZPPGBRDVZEULN-OALUTQOASA-N 2 2 307.441 3.409 20 0 DGADLP CSCc1cc[nH+]c(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001165322380 1090503273 /nfs/dbraw/zinc/50/32/73/1090503273.db2.gz HZXCNUCYOLILIX-MRXNPFEDSA-N 2 2 305.491 3.303 20 0 DGADLP Cc1nc(N2CCC(C3C[NH2+]C3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001165410303 1090517155 /nfs/dbraw/zinc/51/71/55/1090517155.db2.gz YXVYXIRECTZFST-UHFFFAOYSA-N 2 2 314.477 3.269 20 0 DGADLP CC[C@H](C)C[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272919879 1090684570 /nfs/dbraw/zinc/68/45/70/1090684570.db2.gz DKDPSFLYVDLXSV-JSGCOSHPSA-N 2 2 305.466 3.151 20 0 DGADLP CC[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272919878 1090684867 /nfs/dbraw/zinc/68/48/67/1090684867.db2.gz DKDPSFLYVDLXSV-GXTWGEPZSA-N 2 2 305.466 3.151 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc3ccccn23)CC1 ZINC001203158503 1090703465 /nfs/dbraw/zinc/70/34/65/1090703465.db2.gz DBDCKPHQHYUKFP-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc3ccccn23)CC1 ZINC001203158503 1090703471 /nfs/dbraw/zinc/70/34/71/1090703471.db2.gz DBDCKPHQHYUKFP-UHFFFAOYSA-N 2 2 300.450 3.031 20 0 DGADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001203308174 1090717620 /nfs/dbraw/zinc/71/76/20/1090717620.db2.gz AXTGYINKOXKXTO-UHFFFAOYSA-N 2 2 324.472 3.051 20 0 DGADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001203308174 1090717622 /nfs/dbraw/zinc/71/76/22/1090717622.db2.gz AXTGYINKOXKXTO-UHFFFAOYSA-N 2 2 324.472 3.051 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC001203483986 1090740822 /nfs/dbraw/zinc/74/08/22/1090740822.db2.gz BQFGYTNGSLBZDD-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC001203483986 1090740828 /nfs/dbraw/zinc/74/08/28/1090740828.db2.gz BQFGYTNGSLBZDD-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203895598 1090831938 /nfs/dbraw/zinc/83/19/38/1090831938.db2.gz ZKLAPNKWGWHEMF-IBGZPJMESA-N 2 2 302.462 3.070 20 0 DGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203895598 1090831944 /nfs/dbraw/zinc/83/19/44/1090831944.db2.gz ZKLAPNKWGWHEMF-IBGZPJMESA-N 2 2 302.462 3.070 20 0 DGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1C ZINC001203899523 1090832158 /nfs/dbraw/zinc/83/21/58/1090832158.db2.gz YTUOLACXAFCYOY-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203895601 1090832364 /nfs/dbraw/zinc/83/23/64/1090832364.db2.gz ZKLAPNKWGWHEMF-LJQANCHMSA-N 2 2 302.462 3.070 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203895601 1090832370 /nfs/dbraw/zinc/83/23/70/1090832370.db2.gz ZKLAPNKWGWHEMF-LJQANCHMSA-N 2 2 302.462 3.070 20 0 DGADLP Cc1ccsc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204018464 1090870628 /nfs/dbraw/zinc/87/06/28/1090870628.db2.gz ZBJGUMKVXYUVAR-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccsc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204018464 1090870634 /nfs/dbraw/zinc/87/06/34/1090870634.db2.gz ZBJGUMKVXYUVAR-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001204018464 1090870642 /nfs/dbraw/zinc/87/06/42/1090870642.db2.gz ZBJGUMKVXYUVAR-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001204018464 1090870651 /nfs/dbraw/zinc/87/06/51/1090870651.db2.gz ZBJGUMKVXYUVAR-CALCHBBNSA-N 2 2 313.470 3.015 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC001204033066 1090876599 /nfs/dbraw/zinc/87/65/99/1090876599.db2.gz FLFAKIWTPLMVCL-MRXNPFEDSA-N 2 2 308.491 3.132 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC001204033066 1090876606 /nfs/dbraw/zinc/87/66/06/1090876606.db2.gz FLFAKIWTPLMVCL-MRXNPFEDSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(C)n4)C[C@@H]3C2)cc1 ZINC001204066874 1090890607 /nfs/dbraw/zinc/89/06/07/1090890607.db2.gz UKTDZHMLANXAGR-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(C)n4)C[C@@H]3C2)cc1 ZINC001204066874 1090890611 /nfs/dbraw/zinc/89/06/11/1090890611.db2.gz UKTDZHMLANXAGR-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(C)n4)C[C@@H]3C2)cc1 ZINC001204066874 1090890616 /nfs/dbraw/zinc/89/06/16/1090890616.db2.gz UKTDZHMLANXAGR-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(C)n4)C[C@@H]3C2)cc1 ZINC001204066874 1090890621 /nfs/dbraw/zinc/89/06/21/1090890621.db2.gz UKTDZHMLANXAGR-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204093280 1090900009 /nfs/dbraw/zinc/90/00/09/1090900009.db2.gz AQIPVVIPJSJZAH-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204093280 1090900014 /nfs/dbraw/zinc/90/00/14/1090900014.db2.gz AQIPVVIPJSJZAH-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP CCOc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC ZINC001204192964 1090918402 /nfs/dbraw/zinc/91/84/02/1090918402.db2.gz HGZFGDINCWBZIL-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP CCOc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC ZINC001204192964 1090918406 /nfs/dbraw/zinc/91/84/06/1090918406.db2.gz HGZFGDINCWBZIL-UHFFFAOYSA-N 2 2 320.477 3.399 20 0 DGADLP c1cn(CCN2CC[C@H]3[C@@H]2CC[N@H+]3CCCC2CCCC2)c[nH+]1 ZINC001276451988 1090941467 /nfs/dbraw/zinc/94/14/67/1090941467.db2.gz ONTRIXDVVSVGDP-OALUTQOASA-N 2 2 316.493 3.002 20 0 DGADLP c1cn(CCN2CC[C@H]3[C@@H]2CC[N@@H+]3CCCC2CCCC2)c[nH+]1 ZINC001276451988 1090941470 /nfs/dbraw/zinc/94/14/70/1090941470.db2.gz ONTRIXDVVSVGDP-OALUTQOASA-N 2 2 316.493 3.002 20 0 DGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](CCc3c(F)cccc3F)C2)C1 ZINC001276456401 1090951771 /nfs/dbraw/zinc/95/17/71/1090951771.db2.gz ZHFGAFDBXCUOGN-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP C[N@H+]1CCC[C@]2(CCC[NH+](CCc3c(F)cccc3F)C2)C1 ZINC001276456401 1090951776 /nfs/dbraw/zinc/95/17/76/1090951776.db2.gz ZHFGAFDBXCUOGN-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@H+](CCc3c(F)cccc3F)C2)C1 ZINC001276456401 1090951781 /nfs/dbraw/zinc/95/17/81/1090951781.db2.gz ZHFGAFDBXCUOGN-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](CCc3c(F)cccc3F)C2)C1 ZINC001276456401 1090951783 /nfs/dbraw/zinc/95/17/83/1090951783.db2.gz ZHFGAFDBXCUOGN-SFHVURJKSA-N 2 2 308.416 3.315 20 0 DGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001204354911 1090954842 /nfs/dbraw/zinc/95/48/42/1090954842.db2.gz SAKFRYOXJFQZTA-HXUWFJFHSA-N 2 2 316.489 3.379 20 0 DGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001204354911 1090954845 /nfs/dbraw/zinc/95/48/45/1090954845.db2.gz SAKFRYOXJFQZTA-HXUWFJFHSA-N 2 2 316.489 3.379 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001168707339 1090965054 /nfs/dbraw/zinc/96/50/54/1090965054.db2.gz LJXFALSKVNTHCF-JKSUJKDBSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001168707339 1090965057 /nfs/dbraw/zinc/96/50/57/1090965057.db2.gz LJXFALSKVNTHCF-JKSUJKDBSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001168709650 1090968726 /nfs/dbraw/zinc/96/87/26/1090968726.db2.gz UUAPRUBIIYXFJW-CABCVRRESA-N 2 2 304.865 3.414 20 0 DGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001168709650 1090968731 /nfs/dbraw/zinc/96/87/31/1090968731.db2.gz UUAPRUBIIYXFJW-CABCVRRESA-N 2 2 304.865 3.414 20 0 DGADLP CC/C=C\CCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276465911 1090973282 /nfs/dbraw/zinc/97/32/82/1090973282.db2.gz UFQRVULWYIVGLQ-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276465911 1090973284 /nfs/dbraw/zinc/97/32/84/1090973284.db2.gz UFQRVULWYIVGLQ-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276465911 1090973287 /nfs/dbraw/zinc/97/32/87/1090973287.db2.gz UFQRVULWYIVGLQ-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP CC/C=C\CCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276465911 1090973288 /nfs/dbraw/zinc/97/32/88/1090973288.db2.gz UFQRVULWYIVGLQ-LLHWWHOWSA-N 2 2 316.493 3.444 20 0 DGADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204519617 1090989382 /nfs/dbraw/zinc/98/93/82/1090989382.db2.gz ISFVRGAHIIGDMM-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204519617 1090989384 /nfs/dbraw/zinc/98/93/84/1090989384.db2.gz ISFVRGAHIIGDMM-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204519617 1090989388 /nfs/dbraw/zinc/98/93/88/1090989388.db2.gz ISFVRGAHIIGDMM-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001204519617 1090989390 /nfs/dbraw/zinc/98/93/90/1090989390.db2.gz ISFVRGAHIIGDMM-OYRHEFFESA-N 2 2 321.468 3.262 20 0 DGADLP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C(c1ccccc1)c1ccccc1 ZINC001204646635 1091011546 /nfs/dbraw/zinc/01/15/46/1091011546.db2.gz YKQCATGSSDRAKW-SFHVURJKSA-N 2 2 310.441 3.432 20 0 DGADLP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C(c1ccccc1)c1ccccc1 ZINC001204646635 1091011551 /nfs/dbraw/zinc/01/15/51/1091011551.db2.gz YKQCATGSSDRAKW-SFHVURJKSA-N 2 2 310.441 3.432 20 0 DGADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-c3cccs3)cc2)CC1 ZINC001168736671 1091024797 /nfs/dbraw/zinc/02/47/97/1091024797.db2.gz JYTJMGMLQHYSOK-UHFFFAOYSA-N 2 2 300.431 3.009 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168737645 1091026805 /nfs/dbraw/zinc/02/68/05/1091026805.db2.gz BNQVSQLEGHKYDY-INIZCTEOSA-N 2 2 304.865 3.366 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168737645 1091026811 /nfs/dbraw/zinc/02/68/11/1091026811.db2.gz BNQVSQLEGHKYDY-INIZCTEOSA-N 2 2 304.865 3.366 20 0 DGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001204791668 1091037755 /nfs/dbraw/zinc/03/77/55/1091037755.db2.gz RFAQYCKXKBQCSN-QGZVFWFLSA-N 2 2 319.811 3.464 20 0 DGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)C1 ZINC001204791668 1091037760 /nfs/dbraw/zinc/03/77/60/1091037760.db2.gz RFAQYCKXKBQCSN-QGZVFWFLSA-N 2 2 319.811 3.464 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204801143 1091039086 /nfs/dbraw/zinc/03/90/86/1091039086.db2.gz KDVNVAVSURXUQW-HXUWFJFHSA-N 2 2 324.424 3.063 20 0 DGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204801143 1091039093 /nfs/dbraw/zinc/03/90/93/1091039093.db2.gz KDVNVAVSURXUQW-HXUWFJFHSA-N 2 2 324.424 3.063 20 0 DGADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001204809886 1091039867 /nfs/dbraw/zinc/03/98/67/1091039867.db2.gz LZTFZXOXSYGWBX-KRWDZBQOSA-N 2 2 301.821 3.325 20 0 DGADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001204809886 1091039871 /nfs/dbraw/zinc/03/98/71/1091039871.db2.gz LZTFZXOXSYGWBX-KRWDZBQOSA-N 2 2 301.821 3.325 20 0 DGADLP Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1C ZINC001205067311 1091093142 /nfs/dbraw/zinc/09/31/42/1091093142.db2.gz PXJVGTMIRBAJSO-SFTDATJTSA-N 2 2 321.468 3.262 20 0 DGADLP COc1ccc2cc(C[N@@H+]3CCC[C@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001205103096 1091102644 /nfs/dbraw/zinc/10/26/44/1091102644.db2.gz YUWOHTAMENYVJE-AWEZNQCLSA-N 2 2 319.836 3.210 20 0 DGADLP COc1ccc2cc(C[N@H+]3CCC[C@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001205103096 1091102646 /nfs/dbraw/zinc/10/26/46/1091102646.db2.gz YUWOHTAMENYVJE-AWEZNQCLSA-N 2 2 319.836 3.210 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC001205198458 1091128176 /nfs/dbraw/zinc/12/81/76/1091128176.db2.gz LXPOQIQVBQUGKG-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC001205198458 1091128182 /nfs/dbraw/zinc/12/81/82/1091128182.db2.gz LXPOQIQVBQUGKG-MRXNPFEDSA-N 2 2 300.377 3.491 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205304313 1091175523 /nfs/dbraw/zinc/17/55/23/1091175523.db2.gz NSHGDXFVWPJDMH-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205304313 1091175530 /nfs/dbraw/zinc/17/55/30/1091175530.db2.gz NSHGDXFVWPJDMH-JQWIXIFHSA-N 2 2 304.331 3.261 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305487 1091176889 /nfs/dbraw/zinc/17/68/89/1091176889.db2.gz RRMDDIJZAYQMCV-KOLCDFICSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC001205305487 1091176894 /nfs/dbraw/zinc/17/68/94/1091176894.db2.gz RRMDDIJZAYQMCV-KOLCDFICSA-N 2 2 322.321 3.400 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)c(F)c1 ZINC001138426606 1091180774 /nfs/dbraw/zinc/18/07/74/1091180774.db2.gz FCYNXSGZMCPKCN-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)c(F)c1 ZINC001138426606 1091180785 /nfs/dbraw/zinc/18/07/85/1091180785.db2.gz FCYNXSGZMCPKCN-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c(Cl)[nH]c4ccccc43)C[C@@H]2C1 ZINC001138689257 1091290140 /nfs/dbraw/zinc/29/01/40/1091290140.db2.gz POJQDKGRHSEHJL-STQMWFEESA-N 2 2 303.837 3.205 20 0 DGADLP CCN(CC)c1ncc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001138803495 1091337153 /nfs/dbraw/zinc/33/71/53/1091337153.db2.gz QDCXCFIWDMBCMJ-UHFFFAOYSA-N 2 2 324.538 3.294 20 0 DGADLP CCN(CC)c1ncc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001138803495 1091337165 /nfs/dbraw/zinc/33/71/65/1091337165.db2.gz QDCXCFIWDMBCMJ-UHFFFAOYSA-N 2 2 324.538 3.294 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](CCc2ccccc2C(F)(F)F)CCC1(F)F ZINC001205762781 1091337536 /nfs/dbraw/zinc/33/75/36/1091337536.db2.gz NLQDAZPIZWKRKL-GFCCVEGCSA-N 2 2 322.321 3.164 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](CCc2ccccc2C(F)(F)F)CCC1(F)F ZINC001205762781 1091337548 /nfs/dbraw/zinc/33/75/48/1091337548.db2.gz NLQDAZPIZWKRKL-GFCCVEGCSA-N 2 2 322.321 3.164 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccn3)s2)CCC1(F)F ZINC001205779418 1091343283 /nfs/dbraw/zinc/34/32/83/1091343283.db2.gz KUIBOHFPEJYZCD-GFCCVEGCSA-N 2 2 323.412 3.226 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccn3)s2)CCC1(F)F ZINC001205779418 1091343294 /nfs/dbraw/zinc/34/32/94/1091343294.db2.gz KUIBOHFPEJYZCD-GFCCVEGCSA-N 2 2 323.412 3.226 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836127 1091351545 /nfs/dbraw/zinc/35/15/45/1091351545.db2.gz DKOKLCLVSYNLMN-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836127 1091351559 /nfs/dbraw/zinc/35/15/59/1091351559.db2.gz DKOKLCLVSYNLMN-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836127 1091351566 /nfs/dbraw/zinc/35/15/66/1091351566.db2.gz DKOKLCLVSYNLMN-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4c3cccc4Cl)C2)C1 ZINC001138836127 1091351578 /nfs/dbraw/zinc/35/15/78/1091351578.db2.gz DKOKLCLVSYNLMN-KRWDZBQOSA-N 2 2 303.837 3.349 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806577 1091358565 /nfs/dbraw/zinc/35/85/65/1091358565.db2.gz ULEPRMGVJKHIBV-YPMHNXCESA-N 2 2 302.340 3.144 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001205806577 1091358575 /nfs/dbraw/zinc/35/85/75/1091358575.db2.gz ULEPRMGVJKHIBV-YPMHNXCESA-N 2 2 302.340 3.144 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819035 1091364945 /nfs/dbraw/zinc/36/49/45/1091364945.db2.gz WJIVYTXLYKZPJG-FUHWJXTLSA-N 2 2 301.478 3.236 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001205819035 1091364957 /nfs/dbraw/zinc/36/49/57/1091364957.db2.gz WJIVYTXLYKZPJG-FUHWJXTLSA-N 2 2 301.478 3.236 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829912 1091369268 /nfs/dbraw/zinc/36/92/68/1091369268.db2.gz QCCRRZGGAFSLML-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001205829912 1091369279 /nfs/dbraw/zinc/36/92/79/1091369279.db2.gz QCCRRZGGAFSLML-XJKSGUPXSA-N 2 2 301.459 3.369 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842739 1091375671 /nfs/dbraw/zinc/37/56/71/1091375671.db2.gz OSJPRIJCRYVNCD-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001205842739 1091375681 /nfs/dbraw/zinc/37/56/81/1091375681.db2.gz OSJPRIJCRYVNCD-KDOFPFPSSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845333 1091377481 /nfs/dbraw/zinc/37/74/81/1091377481.db2.gz ZPZYIRDKZCYOQB-DZGCQCFKSA-N 2 2 301.409 3.380 20 0 DGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205845333 1091377492 /nfs/dbraw/zinc/37/74/92/1091377492.db2.gz ZPZYIRDKZCYOQB-DZGCQCFKSA-N 2 2 301.409 3.380 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855115 1091380345 /nfs/dbraw/zinc/38/03/45/1091380345.db2.gz LUSYGKJPDRCGJU-PBHICJAKSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001205855115 1091380358 /nfs/dbraw/zinc/38/03/58/1091380358.db2.gz LUSYGKJPDRCGJU-PBHICJAKSA-N 2 2 313.420 3.447 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905262 1091404083 /nfs/dbraw/zinc/40/40/83/1091404083.db2.gz ZUDHLDZUEPDIMX-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001205905262 1091404087 /nfs/dbraw/zinc/40/40/87/1091404087.db2.gz ZUDHLDZUEPDIMX-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001139051230 1091430581 /nfs/dbraw/zinc/43/05/81/1091430581.db2.gz FZRHICRTLMBZGD-UHFFFAOYSA-N 2 2 302.796 3.392 20 0 DGADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139061349 1091431781 /nfs/dbraw/zinc/43/17/81/1091431781.db2.gz BHRSNMNMGNDUIP-DLBZAZTESA-N 2 2 302.462 3.139 20 0 DGADLP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139061349 1091431784 /nfs/dbraw/zinc/43/17/84/1091431784.db2.gz BHRSNMNMGNDUIP-DLBZAZTESA-N 2 2 302.462 3.139 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCCCCCC2)c1 ZINC001139061513 1091432133 /nfs/dbraw/zinc/43/21/33/1091432133.db2.gz FQZQETPIKVCQMD-UHFFFAOYSA-N 2 2 302.462 3.285 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001205981784 1091435530 /nfs/dbraw/zinc/43/55/30/1091435530.db2.gz HDLUYPCLYPOULM-IUCAKERBSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001205981784 1091435537 /nfs/dbraw/zinc/43/55/37/1091435537.db2.gz HDLUYPCLYPOULM-IUCAKERBSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C[C@H]1[NH3+] ZINC001206075428 1091479432 /nfs/dbraw/zinc/47/94/32/1091479432.db2.gz LVWSQISFTBLUTN-KZULUSFZSA-N 2 2 302.368 3.411 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C[C@H]1[NH3+] ZINC001206075428 1091479438 /nfs/dbraw/zinc/47/94/38/1091479438.db2.gz LVWSQISFTBLUTN-KZULUSFZSA-N 2 2 302.368 3.411 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Br ZINC001206175509 1091521708 /nfs/dbraw/zinc/52/17/08/1091521708.db2.gz VUIFFQWWYLMPNN-CHWSQXEVSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Br ZINC001206175509 1091521718 /nfs/dbraw/zinc/52/17/18/1091521718.db2.gz VUIFFQWWYLMPNN-CHWSQXEVSA-N 2 2 315.230 3.019 20 0 DGADLP CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139359879 1091533974 /nfs/dbraw/zinc/53/39/74/1091533974.db2.gz LZJNGKMTUCMINH-NEWSRXKRSA-N 2 2 311.429 3.119 20 0 DGADLP CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001139359879 1091533982 /nfs/dbraw/zinc/53/39/82/1091533982.db2.gz LZJNGKMTUCMINH-NEWSRXKRSA-N 2 2 311.429 3.119 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206278114 1091560749 /nfs/dbraw/zinc/56/07/49/1091560749.db2.gz YSIJKCXGUKBNGG-MRXNPFEDSA-N 2 2 310.441 3.404 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206278114 1091560758 /nfs/dbraw/zinc/56/07/58/1091560758.db2.gz YSIJKCXGUKBNGG-MRXNPFEDSA-N 2 2 310.441 3.404 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001206296743 1091564953 /nfs/dbraw/zinc/56/49/53/1091564953.db2.gz UKWJJZATYZPSJJ-HNNXBMFYSA-N 2 2 322.321 3.333 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001206296743 1091564960 /nfs/dbraw/zinc/56/49/60/1091564960.db2.gz UKWJJZATYZPSJJ-HNNXBMFYSA-N 2 2 322.321 3.333 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001206296744 1091565951 /nfs/dbraw/zinc/56/59/51/1091565951.db2.gz UKWJJZATYZPSJJ-OAHLLOKOSA-N 2 2 322.321 3.333 20 0 DGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001206296744 1091565961 /nfs/dbraw/zinc/56/59/61/1091565961.db2.gz UKWJJZATYZPSJJ-OAHLLOKOSA-N 2 2 322.321 3.333 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206310755 1091573385 /nfs/dbraw/zinc/57/33/85/1091573385.db2.gz BQDQBVNEWBKYMQ-LJQANCHMSA-N 3 2 312.461 3.132 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206310755 1091573391 /nfs/dbraw/zinc/57/33/91/1091573391.db2.gz BQDQBVNEWBKYMQ-LJQANCHMSA-N 3 2 312.461 3.132 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001206344274 1091588069 /nfs/dbraw/zinc/58/80/69/1091588069.db2.gz PZIRTZLCBXWGBJ-CQSZACIVSA-N 2 2 304.331 3.358 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001206344274 1091588076 /nfs/dbraw/zinc/58/80/76/1091588076.db2.gz PZIRTZLCBXWGBJ-CQSZACIVSA-N 2 2 304.331 3.358 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1CC ZINC001206352113 1091590754 /nfs/dbraw/zinc/59/07/54/1091590754.db2.gz OJDPJTWOMMKOAS-SFHVURJKSA-N 2 2 308.441 3.301 20 0 DGADLP CCOc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1CC ZINC001206352113 1091590759 /nfs/dbraw/zinc/59/07/59/1091590759.db2.gz OJDPJTWOMMKOAS-SFHVURJKSA-N 2 2 308.441 3.301 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001206363463 1091600786 /nfs/dbraw/zinc/60/07/86/1091600786.db2.gz XKCVKKNKDPRBOH-QGZVFWFLSA-N 2 2 305.372 3.027 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001206363463 1091600790 /nfs/dbraw/zinc/60/07/90/1091600790.db2.gz XKCVKKNKDPRBOH-QGZVFWFLSA-N 2 2 305.372 3.027 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1CC ZINC001139626211 1091627440 /nfs/dbraw/zinc/62/74/40/1091627440.db2.gz OYQSCYSABPUMQX-UHFFFAOYSA-N 2 2 302.462 3.318 20 0 DGADLP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1O ZINC001206563695 1091670030 /nfs/dbraw/zinc/67/00/30/1091670030.db2.gz HJACTOHHXVYOKV-MRXNPFEDSA-N 2 2 312.841 3.005 20 0 DGADLP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1O ZINC001206563695 1091670036 /nfs/dbraw/zinc/67/00/36/1091670036.db2.gz HJACTOHHXVYOKV-MRXNPFEDSA-N 2 2 312.841 3.005 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cn4)C[C@@H]3C2)cc1 ZINC001139837071 1091685808 /nfs/dbraw/zinc/68/58/08/1091685808.db2.gz IZYMPUFQEBDCAW-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001139839427 1091687009 /nfs/dbraw/zinc/68/70/09/1091687009.db2.gz DWIIQNIDQTWWRY-HOTGVXAUSA-N 2 2 313.470 3.015 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490997 1091690671 /nfs/dbraw/zinc/69/06/71/1091690671.db2.gz ALJLSFFAGOXRDX-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490997 1091690691 /nfs/dbraw/zinc/69/06/91/1091690691.db2.gz ALJLSFFAGOXRDX-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490997 1091690694 /nfs/dbraw/zinc/69/06/94/1091690694.db2.gz ALJLSFFAGOXRDX-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(N)cc3Cl)C2)C1 ZINC001276490997 1091690703 /nfs/dbraw/zinc/69/07/03/1091690703.db2.gz ALJLSFFAGOXRDX-QGZVFWFLSA-N 2 2 307.869 3.230 20 0 DGADLP Cn1ncc2ccc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)cc21 ZINC001139911421 1091710286 /nfs/dbraw/zinc/71/02/86/1091710286.db2.gz QCEVACIILWJVPC-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP COc1c(C)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001202985649 1091719986 /nfs/dbraw/zinc/71/99/86/1091719986.db2.gz JSANAQDEVLRDGR-UHFFFAOYSA-N 2 2 307.397 3.479 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206767746 1091729842 /nfs/dbraw/zinc/72/98/42/1091729842.db2.gz DYGDCRJCIHVOCX-NWDGAFQWSA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206767746 1091729847 /nfs/dbraw/zinc/72/98/47/1091729847.db2.gz DYGDCRJCIHVOCX-NWDGAFQWSA-N 2 2 314.832 3.437 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140023557 1091742720 /nfs/dbraw/zinc/74/27/20/1091742720.db2.gz QMBDNKBQRBTAFX-IEBWSBKVSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140023557 1091742727 /nfs/dbraw/zinc/74/27/27/1091742727.db2.gz QMBDNKBQRBTAFX-IEBWSBKVSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2-n2cc[nH+]c2C)n1 ZINC001140026267 1091744479 /nfs/dbraw/zinc/74/44/79/1091744479.db2.gz JLOKVHRGEPRZLL-KRWDZBQOSA-N 2 2 323.400 3.209 20 0 DGADLP Cc1noc([C@@H]2CCC[N@H+]2Cc2ccccc2-n2cc[nH+]c2C)n1 ZINC001140026267 1091744480 /nfs/dbraw/zinc/74/44/80/1091744480.db2.gz JLOKVHRGEPRZLL-KRWDZBQOSA-N 2 2 323.400 3.209 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC001206800166 1091745728 /nfs/dbraw/zinc/74/57/28/1091745728.db2.gz IOTPOWCOOOIEHE-APWZRJJASA-N 2 2 318.509 3.235 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC001206800166 1091745733 /nfs/dbraw/zinc/74/57/33/1091745733.db2.gz IOTPOWCOOOIEHE-APWZRJJASA-N 2 2 318.509 3.235 20 0 DGADLP Cc1ccnc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854422 1091771960 /nfs/dbraw/zinc/77/19/60/1091771960.db2.gz YZVVTXIRLAEJAA-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854422 1091771966 /nfs/dbraw/zinc/77/19/66/1091771966.db2.gz YZVVTXIRLAEJAA-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854422 1091771969 /nfs/dbraw/zinc/77/19/69/1091771969.db2.gz YZVVTXIRLAEJAA-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccnc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001206854422 1091771974 /nfs/dbraw/zinc/77/19/74/1091771974.db2.gz YZVVTXIRLAEJAA-WOJBJXKFSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ncsc1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001206862443 1091773485 /nfs/dbraw/zinc/77/34/85/1091773485.db2.gz NNKUYFJLLFKDCX-UHFFFAOYSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1ncsc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001206862443 1091773493 /nfs/dbraw/zinc/77/34/93/1091773493.db2.gz NNKUYFJLLFKDCX-UHFFFAOYSA-N 2 2 305.491 3.292 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)cc1O ZINC001140204359 1091801209 /nfs/dbraw/zinc/80/12/09/1091801209.db2.gz RLLXBJDWBQPJBM-KRWDZBQOSA-N 2 2 312.413 3.366 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)cc1O ZINC001140204359 1091801216 /nfs/dbraw/zinc/80/12/16/1091801216.db2.gz RLLXBJDWBQPJBM-KRWDZBQOSA-N 2 2 312.413 3.366 20 0 DGADLP C[NH+](C)C1CC[NH+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001140335625 1091831394 /nfs/dbraw/zinc/83/13/94/1091831394.db2.gz IDFGDRSFXARPCR-UHFFFAOYSA-N 2 2 301.459 3.336 20 0 DGADLP C[N@@H+]1CCC2(C[NH+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001276513577 1091877747 /nfs/dbraw/zinc/87/77/47/1091877747.db2.gz NSNSDUDSXXHZTK-UHFFFAOYSA-N 2 2 312.379 3.276 20 0 DGADLP C[N@H+]1CCC2(C[NH+](CCCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001276513577 1091877751 /nfs/dbraw/zinc/87/77/51/1091877751.db2.gz NSNSDUDSXXHZTK-UHFFFAOYSA-N 2 2 312.379 3.276 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207281987 1091910951 /nfs/dbraw/zinc/91/09/51/1091910951.db2.gz BDWGHNZOFJAARP-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207281987 1091910960 /nfs/dbraw/zinc/91/09/60/1091910960.db2.gz BDWGHNZOFJAARP-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207281987 1091910968 /nfs/dbraw/zinc/91/09/68/1091910968.db2.gz BDWGHNZOFJAARP-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207281987 1091910984 /nfs/dbraw/zinc/91/09/84/1091910984.db2.gz BDWGHNZOFJAARP-IBGZPJMESA-N 3 2 317.521 3.028 20 0 DGADLP CC1(C)C[C@H](C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CCO1 ZINC001207352159 1091933660 /nfs/dbraw/zinc/93/36/60/1091933660.db2.gz DVXNTICPTCEGLB-OAHLLOKOSA-N 2 2 304.434 3.130 20 0 DGADLP COc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001207425722 1091964733 /nfs/dbraw/zinc/96/47/33/1091964733.db2.gz QBLPWYNLYSRJQO-UHFFFAOYSA-N 2 2 302.462 3.188 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140707879 1091969236 /nfs/dbraw/zinc/96/92/36/1091969236.db2.gz GSLDZRCWHFHECT-UHFFFAOYSA-N 2 2 301.409 3.250 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140707879 1091969242 /nfs/dbraw/zinc/96/92/42/1091969242.db2.gz GSLDZRCWHFHECT-UHFFFAOYSA-N 2 2 301.409 3.250 20 0 DGADLP C[NH+]1CCC(CC[N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207487619 1091984244 /nfs/dbraw/zinc/98/42/44/1091984244.db2.gz ODDVUXLISQCICO-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(CC[N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207487619 1091984250 /nfs/dbraw/zinc/98/42/50/1091984250.db2.gz ODDVUXLISQCICO-SFHVURJKSA-N 2 2 322.880 3.445 20 0 DGADLP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000716319198 1092036813 /nfs/dbraw/zinc/03/68/13/1092036813.db2.gz OBOGCYCXTOVSRS-KBXCAEBGSA-N 2 2 310.445 3.416 20 0 DGADLP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)nc(C)[nH+]1 ZINC000716319198 1092036820 /nfs/dbraw/zinc/03/68/20/1092036820.db2.gz OBOGCYCXTOVSRS-KBXCAEBGSA-N 2 2 310.445 3.416 20 0 DGADLP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207679240 1092067158 /nfs/dbraw/zinc/06/71/58/1092067158.db2.gz XAQVGWYTNXGAHI-MRXNPFEDSA-N 2 2 307.482 3.487 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545559 1092106046 /nfs/dbraw/zinc/10/60/46/1092106046.db2.gz WWKOINSYLRBHKV-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545559 1092106061 /nfs/dbraw/zinc/10/60/61/1092106061.db2.gz WWKOINSYLRBHKV-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545559 1092106067 /nfs/dbraw/zinc/10/60/67/1092106067.db2.gz WWKOINSYLRBHKV-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(N3CCCCC3)o1)C2 ZINC001276545559 1092106071 /nfs/dbraw/zinc/10/60/71/1092106071.db2.gz WWKOINSYLRBHKV-IBGZPJMESA-N 2 2 317.477 3.188 20 0 DGADLP Cc1ccncc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048414 1092119790 /nfs/dbraw/zinc/11/97/90/1092119790.db2.gz NNAQBWOAEXXBLP-FPOVZHCZSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048414 1092119798 /nfs/dbraw/zinc/11/97/98/1092119798.db2.gz NNAQBWOAEXXBLP-FPOVZHCZSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048414 1092119804 /nfs/dbraw/zinc/11/98/04/1092119804.db2.gz NNAQBWOAEXXBLP-FPOVZHCZSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001141048414 1092119811 /nfs/dbraw/zinc/11/98/11/1092119811.db2.gz NNAQBWOAEXXBLP-FPOVZHCZSA-N 2 2 321.468 3.344 20 0 DGADLP CCCCc1[nH]cc(CN2CC[NH+](C3CCC(C)CC3)CC2)[nH+]1 ZINC001141070003 1092126000 /nfs/dbraw/zinc/12/60/00/1092126000.db2.gz LBGUOWNMWDKVIO-UHFFFAOYSA-N 2 2 318.509 3.449 20 0 DGADLP CCCCc1[nH]c(CN2CC[NH+](C3CCC(C)CC3)CC2)c[nH+]1 ZINC001141070003 1092126003 /nfs/dbraw/zinc/12/60/03/1092126003.db2.gz LBGUOWNMWDKVIO-UHFFFAOYSA-N 2 2 318.509 3.449 20 0 DGADLP Cc1ccc(CCC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)o1 ZINC001207943503 1092151175 /nfs/dbraw/zinc/15/11/75/1092151175.db2.gz IKQVFAJYVJGYAU-UHFFFAOYSA-N 2 2 300.402 3.459 20 0 DGADLP CCc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001141224691 1092183954 /nfs/dbraw/zinc/18/39/54/1092183954.db2.gz IPODOHLPLUMCIP-NHCUHLMSSA-N 2 2 321.468 3.208 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001208111720 1092200139 /nfs/dbraw/zinc/20/01/39/1092200139.db2.gz MZVKHHLTADHCFF-QGZVFWFLSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001208111720 1092200145 /nfs/dbraw/zinc/20/01/45/1092200145.db2.gz MZVKHHLTADHCFF-QGZVFWFLSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001208111979 1092200950 /nfs/dbraw/zinc/20/09/50/1092200950.db2.gz PXTHEUWAAAQJFD-KRWDZBQOSA-N 2 2 322.880 3.445 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001208111979 1092200962 /nfs/dbraw/zinc/20/09/62/1092200962.db2.gz PXTHEUWAAAQJFD-KRWDZBQOSA-N 2 2 322.880 3.445 20 0 DGADLP CC1=C[C@@H](C)[C@@H](C[NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001208182686 1092248416 /nfs/dbraw/zinc/24/84/16/1092248416.db2.gz VCXVSBDMBIZGSJ-RTBURBONSA-N 3 2 309.542 3.184 20 0 DGADLP C[C@H]1C(=O)CC[N@H+](CC2(C[NH+](C)C)CCCC2)C12CCCC2 ZINC001208188655 1092251390 /nfs/dbraw/zinc/25/13/90/1092251390.db2.gz MJSNRZDUYOEBLU-INIZCTEOSA-N 2 2 306.494 3.332 20 0 DGADLP C[C@H]1C(=O)CC[N@@H+](CC2(C[NH+](C)C)CCCC2)C12CCCC2 ZINC001208188655 1092251401 /nfs/dbraw/zinc/25/14/01/1092251401.db2.gz MJSNRZDUYOEBLU-INIZCTEOSA-N 2 2 306.494 3.332 20 0 DGADLP CC[N@H+](Cc1cc2cccnc2cc1F)C1CC[NH+](C)CC1 ZINC001141629393 1092299759 /nfs/dbraw/zinc/29/97/59/1092299759.db2.gz ZQINUPDKAXVZDN-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[N@@H+](Cc1cc2cccnc2cc1F)C1CC[NH+](C)CC1 ZINC001141629393 1092299771 /nfs/dbraw/zinc/29/97/71/1092299771.db2.gz ZQINUPDKAXVZDN-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@@H]2C1 ZINC001142185329 1092430101 /nfs/dbraw/zinc/43/01/01/1092430101.db2.gz VMULFLSCUKXTKP-CALCHBBNSA-N 2 2 318.509 3.029 20 0 DGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@@H]2C1 ZINC001142185329 1092430106 /nfs/dbraw/zinc/43/01/06/1092430106.db2.gz VMULFLSCUKXTKP-CALCHBBNSA-N 2 2 318.509 3.029 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@@H]2C1 ZINC001142185329 1092430114 /nfs/dbraw/zinc/43/01/14/1092430114.db2.gz VMULFLSCUKXTKP-CALCHBBNSA-N 2 2 318.509 3.029 20 0 DGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)nn(C(C)(C)C)c3C)C[C@@H]2C1 ZINC001142185329 1092430122 /nfs/dbraw/zinc/43/01/22/1092430122.db2.gz VMULFLSCUKXTKP-CALCHBBNSA-N 2 2 318.509 3.029 20 0 DGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001169061146 1092516327 /nfs/dbraw/zinc/51/63/27/1092516327.db2.gz JAIJGQCFXXSNSZ-FQEVSTJZSA-N 3 2 319.537 3.246 20 0 DGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001169061146 1092516340 /nfs/dbraw/zinc/51/63/40/1092516340.db2.gz JAIJGQCFXXSNSZ-FQEVSTJZSA-N 3 2 319.537 3.246 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)C2 ZINC001169094953 1092523764 /nfs/dbraw/zinc/52/37/64/1092523764.db2.gz NZHJCNIEOOONFY-HAGHYFMRSA-N 2 2 307.441 3.386 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)C2 ZINC001169094953 1092523777 /nfs/dbraw/zinc/52/37/77/1092523777.db2.gz NZHJCNIEOOONFY-HAGHYFMRSA-N 2 2 307.441 3.386 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1F)C2 ZINC001169098628 1092530158 /nfs/dbraw/zinc/53/01/58/1092530158.db2.gz KCURMMSGBOFSLU-ZSBIGDGJSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1F)C2 ZINC001169098628 1092530169 /nfs/dbraw/zinc/53/01/69/1092530169.db2.gz KCURMMSGBOFSLU-ZSBIGDGJSA-N 2 2 300.780 3.333 20 0 DGADLP Oc1cccnc1C[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276594095 1092544378 /nfs/dbraw/zinc/54/43/78/1092544378.db2.gz QCBSCZOJXOCFBH-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP Oc1cccnc1C[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276594095 1092544385 /nfs/dbraw/zinc/54/43/85/1092544385.db2.gz QCBSCZOJXOCFBH-IBGZPJMESA-N 2 2 315.461 3.018 20 0 DGADLP CC1(C)C[C@H]([NH2+]c2ccc3c(c2)NCCO3)C[C@@](C)(C[NH3+])C1 ZINC001169143522 1092558961 /nfs/dbraw/zinc/55/89/61/1092558961.db2.gz KILUMDBZQIZRAY-KBXCAEBGSA-N 2 2 303.450 3.447 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208883389 1092563331 /nfs/dbraw/zinc/56/33/31/1092563331.db2.gz VZBQAUFJGSEIEO-IBGZPJMESA-N 2 2 318.436 3.415 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208883389 1092563341 /nfs/dbraw/zinc/56/33/41/1092563341.db2.gz VZBQAUFJGSEIEO-IBGZPJMESA-N 2 2 318.436 3.415 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCO2)cc1 ZINC001169148432 1092563273 /nfs/dbraw/zinc/56/32/73/1092563273.db2.gz YWWGFXNDTOCQBS-IYWMVGAKSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCO2)cc1 ZINC001169148432 1092563284 /nfs/dbraw/zinc/56/32/84/1092563284.db2.gz YWWGFXNDTOCQBS-IYWMVGAKSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148432 1092563294 /nfs/dbraw/zinc/56/32/94/1092563294.db2.gz YWWGFXNDTOCQBS-IYWMVGAKSA-N 2 2 314.473 3.168 20 0 DGADLP Cc1ccc([C@@]2(C)C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CCO2)cc1 ZINC001169148432 1092563306 /nfs/dbraw/zinc/56/33/06/1092563306.db2.gz YWWGFXNDTOCQBS-IYWMVGAKSA-N 2 2 314.473 3.168 20 0 DGADLP CC1(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CCCCC1 ZINC001208897438 1092573717 /nfs/dbraw/zinc/57/37/17/1092573717.db2.gz XOUMJIBCRLIYLN-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP CC1(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CCCCC1 ZINC001208897438 1092573729 /nfs/dbraw/zinc/57/37/29/1092573729.db2.gz XOUMJIBCRLIYLN-UHFFFAOYSA-N 2 2 314.433 3.248 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccnc3[nH]ccc32)C2CCCC2)CC1 ZINC001142887998 1092579724 /nfs/dbraw/zinc/57/97/24/1092579724.db2.gz TXPWAUDZZBSZLF-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccnc3[nH]ccc32)C2CCCC2)CC1 ZINC001142887998 1092579733 /nfs/dbraw/zinc/57/97/33/1092579733.db2.gz TXPWAUDZZBSZLF-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP CC[N@H+](CC1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001208915103 1092583601 /nfs/dbraw/zinc/58/36/01/1092583601.db2.gz XUKRFJNYKZVWJD-UHFFFAOYSA-N 2 2 315.505 3.319 20 0 DGADLP CC[N@@H+](CC1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001208915103 1092583614 /nfs/dbraw/zinc/58/36/14/1092583614.db2.gz XUKRFJNYKZVWJD-UHFFFAOYSA-N 2 2 315.505 3.319 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccn3ccnc23)C2CCCC2)CC1 ZINC001142963957 1092597689 /nfs/dbraw/zinc/59/76/89/1092597689.db2.gz XBQORTGZRMLXCL-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccn3ccnc23)C2CCCC2)CC1 ZINC001142963957 1092597699 /nfs/dbraw/zinc/59/76/99/1092597699.db2.gz XBQORTGZRMLXCL-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208939860 1092600193 /nfs/dbraw/zinc/60/01/93/1092600193.db2.gz KIIZZGPNGAZVRM-IBGZPJMESA-N 2 2 321.468 3.393 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC(c4cccnc4)C3)C2)cc1 ZINC001208939860 1092600197 /nfs/dbraw/zinc/60/01/97/1092600197.db2.gz KIIZZGPNGAZVRM-IBGZPJMESA-N 2 2 321.468 3.393 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001169231171 1092603959 /nfs/dbraw/zinc/60/39/59/1092603959.db2.gz TZIUKHYLBDXHEC-UHFFFAOYSA-N 2 2 304.331 3.418 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143028485 1092607100 /nfs/dbraw/zinc/60/71/00/1092607100.db2.gz CCOSKBUGHPRXNO-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143028485 1092607103 /nfs/dbraw/zinc/60/71/03/1092607103.db2.gz CCOSKBUGHPRXNO-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP F[C@@H]1CSC2(C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953006 1092607862 /nfs/dbraw/zinc/60/78/62/1092607862.db2.gz NXVLPJMWCVHPIL-SJORKVTESA-N 2 2 320.477 3.038 20 0 DGADLP F[C@@H]1CSC2(C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953006 1092607866 /nfs/dbraw/zinc/60/78/66/1092607866.db2.gz NXVLPJMWCVHPIL-SJORKVTESA-N 2 2 320.477 3.038 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950849 1092608389 /nfs/dbraw/zinc/60/83/89/1092608389.db2.gz WVAQOIMIBBMZTF-AZUAARDMSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950849 1092608392 /nfs/dbraw/zinc/60/83/92/1092608392.db2.gz WVAQOIMIBBMZTF-AZUAARDMSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950849 1092608396 /nfs/dbraw/zinc/60/83/96/1092608396.db2.gz WVAQOIMIBBMZTF-AZUAARDMSA-N 2 2 322.456 3.136 20 0 DGADLP c1ccc(C[NH+]2CC[C@H](C[N@H+]3CCC[C@@H]3c3cnccn3)C2)cc1 ZINC001208950849 1092608397 /nfs/dbraw/zinc/60/83/97/1092608397.db2.gz WVAQOIMIBBMZTF-AZUAARDMSA-N 2 2 322.456 3.136 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccc3nccn3c2)C2CCCC2)CC1 ZINC001143035267 1092609639 /nfs/dbraw/zinc/60/96/39/1092609639.db2.gz IUQQJAGVMFBLRF-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccc3nccn3c2)C2CCCC2)CC1 ZINC001143035267 1092609641 /nfs/dbraw/zinc/60/96/41/1092609641.db2.gz IUQQJAGVMFBLRF-UHFFFAOYSA-N 2 2 312.461 3.173 20 0 DGADLP c1[nH]nc2cccc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c12 ZINC001143089505 1092612502 /nfs/dbraw/zinc/61/25/02/1092612502.db2.gz UYQXOTKAEKJVLV-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP CC[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001169268308 1092632454 /nfs/dbraw/zinc/63/24/54/1092632454.db2.gz LWHRDELCNKPXAI-HOTGVXAUSA-N 2 2 319.880 3.087 20 0 DGADLP CC[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001169268308 1092632460 /nfs/dbraw/zinc/63/24/60/1092632460.db2.gz LWHRDELCNKPXAI-HOTGVXAUSA-N 2 2 319.880 3.087 20 0 DGADLP CC[N@@H+](CCCCCCCCCC(=O)OC)CCn1cc[nH+]c1 ZINC001209096367 1092650015 /nfs/dbraw/zinc/65/00/15/1092650015.db2.gz HFGGDSQIGQZSIP-UHFFFAOYSA-N 2 2 323.481 3.499 20 0 DGADLP CC[N@H+](CCCCCCCCCC(=O)OC)CCn1cc[nH+]c1 ZINC001209096367 1092650012 /nfs/dbraw/zinc/65/00/12/1092650012.db2.gz HFGGDSQIGQZSIP-UHFFFAOYSA-N 2 2 323.481 3.499 20 0 DGADLP COC(=O)CCCCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209096907 1092651667 /nfs/dbraw/zinc/65/16/67/1092651667.db2.gz OEIVBQQCMPGXJN-ROUUACIJSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209096907 1092651669 /nfs/dbraw/zinc/65/16/69/1092651669.db2.gz OEIVBQQCMPGXJN-ROUUACIJSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209096907 1092651672 /nfs/dbraw/zinc/65/16/72/1092651672.db2.gz OEIVBQQCMPGXJN-ROUUACIJSA-N 2 2 324.509 3.306 20 0 DGADLP COC(=O)CCCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209096907 1092651674 /nfs/dbraw/zinc/65/16/74/1092651674.db2.gz OEIVBQQCMPGXJN-ROUUACIJSA-N 2 2 324.509 3.306 20 0 DGADLP COC1CCC(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001209397473 1092754841 /nfs/dbraw/zinc/75/48/41/1092754841.db2.gz VQEIZQTUDMKCRF-UHFFFAOYSA-N 2 2 304.434 3.130 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209448523 1092779049 /nfs/dbraw/zinc/77/90/49/1092779049.db2.gz AAZONMGLWFHPSP-LJQANCHMSA-N 3 2 307.526 3.203 20 0 DGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209448523 1092779057 /nfs/dbraw/zinc/77/90/57/1092779057.db2.gz AAZONMGLWFHPSP-LJQANCHMSA-N 3 2 307.526 3.203 20 0 DGADLP CSc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276653333 1092816877 /nfs/dbraw/zinc/81/68/77/1092816877.db2.gz VDRVZTMAZZRXBV-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cn1 ZINC001276653333 1092816886 /nfs/dbraw/zinc/81/68/86/1092816886.db2.gz VDRVZTMAZZRXBV-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cn1 ZINC001276653333 1092816891 /nfs/dbraw/zinc/81/68/91/1092816891.db2.gz VDRVZTMAZZRXBV-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP CSc1cc(C)c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cn1 ZINC001276653333 1092816901 /nfs/dbraw/zinc/81/69/01/1092816901.db2.gz VDRVZTMAZZRXBV-SFHVURJKSA-N 2 2 319.518 3.420 20 0 DGADLP Cc1[nH]c2ncccc2c1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209585070 1092837379 /nfs/dbraw/zinc/83/73/79/1092837379.db2.gz JONFVPFEUUERNR-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP CC[N@H+](Cc1cc2cc(OC)ccc2o1)C1CC[NH+](C)CC1 ZINC001209771037 1092912700 /nfs/dbraw/zinc/91/27/00/1092912700.db2.gz GEZVUCNUJVVRTP-UHFFFAOYSA-N 2 2 302.418 3.358 20 0 DGADLP CC[N@@H+](Cc1cc2cc(OC)ccc2o1)C1CC[NH+](C)CC1 ZINC001209771037 1092912711 /nfs/dbraw/zinc/91/27/11/1092912711.db2.gz GEZVUCNUJVVRTP-UHFFFAOYSA-N 2 2 302.418 3.358 20 0 DGADLP Cc1[nH+]cc(Nc2ccc(OCC[NH+]3CCCC3)cc2)cc1N ZINC001210288270 1093110682 /nfs/dbraw/zinc/11/06/82/1093110682.db2.gz ORCQAJRZIMDOMA-UHFFFAOYSA-N 2 2 312.417 3.190 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[NH2+]1 ZINC001210499729 1093189260 /nfs/dbraw/zinc/18/92/60/1093189260.db2.gz WJZVGLVLMKJPQG-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC[NH2+]1 ZINC001210499729 1093189266 /nfs/dbraw/zinc/18/92/66/1093189266.db2.gz WJZVGLVLMKJPQG-ZDUSSCGKSA-N 2 2 317.383 3.211 20 0 DGADLP COc1cc(Nc2ccc(F)cc2OCC[NH+](C)C)cc(C)[nH+]1 ZINC001210784182 1093282199 /nfs/dbraw/zinc/28/21/99/1093282199.db2.gz NOTFGKBBCIMHDF-UHFFFAOYSA-N 2 2 319.380 3.222 20 0 DGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3cc[nH+]c(NC)c3)c2c1 ZINC001216333796 1094176570 /nfs/dbraw/zinc/17/65/70/1094176570.db2.gz GEPFQTPEXXQAGZ-UHFFFAOYSA-N 2 2 322.368 3.014 20 0 DGADLP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043619 1094373538 /nfs/dbraw/zinc/37/35/38/1094373538.db2.gz KLUGUPWFUDCIEP-ZFWWWQNUSA-N 2 2 305.466 3.293 20 0 DGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC001170797736 1094421037 /nfs/dbraw/zinc/42/10/37/1094421037.db2.gz YNPJGKYPBTTYGF-SFHVURJKSA-N 2 2 320.452 3.257 20 0 DGADLP CC(C)(C)c1cccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001218900276 1094900102 /nfs/dbraw/zinc/90/01/02/1094900102.db2.gz HGJAIYRARHPLKZ-KRWDZBQOSA-N 2 2 311.429 3.195 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000313749594 1095018583 /nfs/dbraw/zinc/01/85/83/1095018583.db2.gz ICINGNOWEDPDLO-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000313749594 1095018595 /nfs/dbraw/zinc/01/85/95/1095018595.db2.gz ICINGNOWEDPDLO-UHFFFAOYSA-N 2 2 311.267 3.284 20 0 DGADLP C[C@H](CC[NH2+]Cc1cccc(Br)c1F)[NH+](C)C ZINC000697827106 1095051930 /nfs/dbraw/zinc/05/19/30/1095051930.db2.gz TUEREAZDYRSKPG-SNVBAGLBSA-N 2 2 303.219 3.018 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]C(C)(C)c2ccc(Br)cc2)C[NH2+]1 ZINC001246176433 1095079146 /nfs/dbraw/zinc/07/91/46/1095079146.db2.gz QFEKAEPLQCAPSF-SMDDNHRTSA-N 2 2 311.267 3.414 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCC2 ZINC000315864265 1095140157 /nfs/dbraw/zinc/14/01/57/1095140157.db2.gz JMFMGVDZNSSYME-BZUAXINKSA-N 2 2 305.466 3.235 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Br)CC[NH2+]1 ZINC001246287895 1095164718 /nfs/dbraw/zinc/16/47/18/1095164718.db2.gz KKQVCQVPNCBZJH-STQMWFEESA-N 2 2 315.230 3.208 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000316685948 1095185663 /nfs/dbraw/zinc/18/56/63/1095185663.db2.gz GNTHVFZGRKYWCT-BZSNNMDCSA-N 2 2 302.462 3.126 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000316685948 1095185674 /nfs/dbraw/zinc/18/56/74/1095185674.db2.gz GNTHVFZGRKYWCT-BZSNNMDCSA-N 2 2 302.462 3.126 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000316685952 1095185933 /nfs/dbraw/zinc/18/59/33/1095185933.db2.gz GNTHVFZGRKYWCT-OKZBNKHCSA-N 2 2 302.462 3.126 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000316685952 1095185941 /nfs/dbraw/zinc/18/59/41/1095185941.db2.gz GNTHVFZGRKYWCT-OKZBNKHCSA-N 2 2 302.462 3.126 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316844981 1095195489 /nfs/dbraw/zinc/19/54/89/1095195489.db2.gz IIIRNALTUZBSHO-SNRMKQJTSA-N 2 2 302.462 3.153 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316844981 1095195495 /nfs/dbraw/zinc/19/54/95/1095195495.db2.gz IIIRNALTUZBSHO-SNRMKQJTSA-N 2 2 302.462 3.153 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(OC)c(C)c2)CC1 ZINC001137009536 1095285567 /nfs/dbraw/zinc/28/55/67/1095285567.db2.gz GYVMFWIVGDHLAL-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(OC)c(C)c2)CC1 ZINC001137009536 1095285572 /nfs/dbraw/zinc/28/55/72/1095285572.db2.gz GYVMFWIVGDHLAL-UHFFFAOYSA-N 2 2 305.466 3.095 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222147981 1095457527 /nfs/dbraw/zinc/45/75/27/1095457527.db2.gz GYHRACXAYSLFHE-IBGZPJMESA-N 2 2 313.420 3.192 20 0 DGADLP Fc1ccccc1-n1cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222147981 1095457534 /nfs/dbraw/zinc/45/75/34/1095457534.db2.gz GYHRACXAYSLFHE-IBGZPJMESA-N 2 2 313.420 3.192 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222153970 1095460303 /nfs/dbraw/zinc/46/03/03/1095460303.db2.gz DRKQUDADRPUHBA-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001222153970 1095460314 /nfs/dbraw/zinc/46/03/14/1095460314.db2.gz DRKQUDADRPUHBA-QGZVFWFLSA-N 2 2 308.853 3.314 20 0 DGADLP Clc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222159945 1095466274 /nfs/dbraw/zinc/46/62/74/1095466274.db2.gz AIUMGDGGURDCMQ-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Clc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cn1 ZINC001222159945 1095466279 /nfs/dbraw/zinc/46/62/79/1095466279.db2.gz AIUMGDGGURDCMQ-QGZVFWFLSA-N 2 2 307.869 3.481 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222190976 1095484314 /nfs/dbraw/zinc/48/43/14/1095484314.db2.gz HAILYEYJQNQXQL-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CCC[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222190976 1095484319 /nfs/dbraw/zinc/48/43/19/1095484319.db2.gz HAILYEYJQNQXQL-INIZCTEOSA-N 2 2 323.278 3.210 20 0 DGADLP FC(F)(F)Oc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222238118 1095504894 /nfs/dbraw/zinc/50/48/94/1095504894.db2.gz ZYYFDEKOHISYIZ-HNNXBMFYSA-N 2 2 314.351 3.303 20 0 DGADLP FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222238118 1095504902 /nfs/dbraw/zinc/50/49/02/1095504902.db2.gz ZYYFDEKOHISYIZ-HNNXBMFYSA-N 2 2 314.351 3.303 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cn2)cc1 ZINC001222242540 1095507093 /nfs/dbraw/zinc/50/70/93/1095507093.db2.gz DWTSUYDDQYFDBW-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cn2)cc1 ZINC001222242540 1095507104 /nfs/dbraw/zinc/50/71/04/1095507104.db2.gz DWTSUYDDQYFDBW-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP Fc1ccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)cc1 ZINC000320138068 1095510045 /nfs/dbraw/zinc/51/00/45/1095510045.db2.gz LJRVATZJDMPTDV-UHFFFAOYSA-N 2 2 319.468 3.260 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222277791 1095525944 /nfs/dbraw/zinc/52/59/44/1095525944.db2.gz RMAKVELVRAYNOF-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222277791 1095525953 /nfs/dbraw/zinc/52/59/53/1095525953.db2.gz RMAKVELVRAYNOF-SFHVURJKSA-N 2 2 306.425 3.190 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1SC ZINC001222278260 1095526575 /nfs/dbraw/zinc/52/65/75/1095526575.db2.gz ZGONFXBJEKVHOD-GOSISDBHSA-N 2 2 320.502 3.383 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1SC ZINC001222278260 1095526585 /nfs/dbraw/zinc/52/65/85/1095526585.db2.gz ZGONFXBJEKVHOD-GOSISDBHSA-N 2 2 320.502 3.383 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282811 1095527775 /nfs/dbraw/zinc/52/77/75/1095527775.db2.gz OGUHMTDWUXGGKI-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282811 1095527781 /nfs/dbraw/zinc/52/77/81/1095527781.db2.gz OGUHMTDWUXGGKI-MRXNPFEDSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222345024 1095564972 /nfs/dbraw/zinc/56/49/72/1095564972.db2.gz GVMJNRAXROTAPZ-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222345024 1095564986 /nfs/dbraw/zinc/56/49/86/1095564986.db2.gz GVMJNRAXROTAPZ-INIZCTEOSA-N 2 2 312.379 3.466 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(Br)c1 ZINC001144222372 1095565581 /nfs/dbraw/zinc/56/55/81/1095565581.db2.gz SZHAJYXLMFYOIS-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(Br)c1 ZINC001144222372 1095565588 /nfs/dbraw/zinc/56/55/88/1095565588.db2.gz SZHAJYXLMFYOIS-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP CCc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001144321593 1095603470 /nfs/dbraw/zinc/60/34/70/1095603470.db2.gz RQCXLPVTRKGKOT-PMACEKPBSA-N 2 2 321.468 3.208 20 0 DGADLP c1cncc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222426469 1095607360 /nfs/dbraw/zinc/60/73/60/1095607360.db2.gz DCQDMTNEDZOACH-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP c1cncc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222426469 1095607364 /nfs/dbraw/zinc/60/73/64/1095607364.db2.gz DCQDMTNEDZOACH-HXUWFJFHSA-N 2 2 307.441 3.467 20 0 DGADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001116604083 1095613540 /nfs/dbraw/zinc/61/35/40/1095613540.db2.gz RSMXEQJQYRWVCB-HUUCEWRRSA-N 2 2 303.475 3.367 20 0 DGADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001116604083 1095613544 /nfs/dbraw/zinc/61/35/44/1095613544.db2.gz RSMXEQJQYRWVCB-HUUCEWRRSA-N 2 2 303.475 3.367 20 0 DGADLP Cc1nc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)sc1C ZINC001144378086 1095625785 /nfs/dbraw/zinc/62/57/85/1095625785.db2.gz SPIHEOFTTZVQCG-CQSZACIVSA-N 2 2 303.431 3.117 20 0 DGADLP Cc1nc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)sc1C ZINC001144378086 1095625790 /nfs/dbraw/zinc/62/57/90/1095625790.db2.gz SPIHEOFTTZVQCG-CQSZACIVSA-N 2 2 303.431 3.117 20 0 DGADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccn4cc(N)[nH+]c4c3)c2c1 ZINC001171169946 1095629088 /nfs/dbraw/zinc/62/90/88/1095629088.db2.gz TYCDVVFAFCQHLZ-ZDUSSCGKSA-N 2 2 319.412 3.059 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(C)c1Br ZINC001222620066 1095696393 /nfs/dbraw/zinc/69/63/93/1095696393.db2.gz FHFICYFMNPBXKO-LSDHHAIUSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(C)c1Br ZINC001222620066 1095696399 /nfs/dbraw/zinc/69/63/99/1095696399.db2.gz FHFICYFMNPBXKO-LSDHHAIUSA-N 2 2 323.278 3.250 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC001144685048 1095768091 /nfs/dbraw/zinc/76/80/91/1095768091.db2.gz KJZLFGSBAXICMM-UHFFFAOYSA-N 2 2 319.674 3.486 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC001144685048 1095768103 /nfs/dbraw/zinc/76/81/03/1095768103.db2.gz KJZLFGSBAXICMM-UHFFFAOYSA-N 2 2 319.674 3.486 20 0 DGADLP CC[NH+](CC)CC[C@H](Nc1cc(CO)cc[nH+]1)c1ccccc1 ZINC001340015387 1095814749 /nfs/dbraw/zinc/81/47/49/1095814749.db2.gz ZMYABLLTRCRTAM-SFHVURJKSA-N 2 2 313.445 3.459 20 0 DGADLP CCOc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001138101328 1095879314 /nfs/dbraw/zinc/87/93/14/1095879314.db2.gz XNESJGMAPQVIFJ-UHFFFAOYSA-N 2 2 320.452 3.484 20 0 DGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001340153478 1095886805 /nfs/dbraw/zinc/88/68/05/1095886805.db2.gz BJFQDXWDJXXGML-JLSDUUJJSA-N 2 2 324.428 3.122 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCCCC4)o3)C[C@@H]2C1 ZINC001138178328 1095915794 /nfs/dbraw/zinc/91/57/94/1095915794.db2.gz BQUVPIHQJGVJPF-IRXDYDNUSA-N 2 2 317.477 3.044 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246643654 1095954721 /nfs/dbraw/zinc/95/47/21/1095954721.db2.gz SLPDCQVJVIOQMU-ZDUSSCGKSA-N 2 2 323.278 3.208 20 0 DGADLP C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246643654 1095954728 /nfs/dbraw/zinc/95/47/28/1095954728.db2.gz SLPDCQVJVIOQMU-ZDUSSCGKSA-N 2 2 323.278 3.208 20 0 DGADLP FC1(F)[C@@H]2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]21 ZINC001118484625 1096021457 /nfs/dbraw/zinc/02/14/57/1096021457.db2.gz LEQMQBXHRRMHOS-HONMWMINSA-N 2 2 309.385 3.457 20 0 DGADLP Cc1cc([NH2+][C@@H]2CCOC(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001119237229 1096142197 /nfs/dbraw/zinc/14/21/97/1096142197.db2.gz BAUBTQZHYGINAF-QGZVFWFLSA-N 2 2 317.477 3.116 20 0 DGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541733 1096224390 /nfs/dbraw/zinc/22/43/90/1096224390.db2.gz RYNPXNNNAHRIBF-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001119541733 1096224393 /nfs/dbraw/zinc/22/43/93/1096224393.db2.gz RYNPXNNNAHRIBF-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171381034 1096618354 /nfs/dbraw/zinc/61/83/54/1096618354.db2.gz ADHCQQLPIAKGBS-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171381034 1096618357 /nfs/dbraw/zinc/61/83/57/1096618357.db2.gz ADHCQQLPIAKGBS-INIZCTEOSA-N 2 2 308.416 3.238 20 0 DGADLP Fc1cccc2c1CC[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001171396160 1096657375 /nfs/dbraw/zinc/65/73/75/1096657375.db2.gz KIEXQFBYSKTDMZ-LJQANCHMSA-N 2 2 324.443 3.405 20 0 DGADLP CC(C)C[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C(C)C)n1cc[nH+]c1 ZINC001171409550 1096694812 /nfs/dbraw/zinc/69/48/12/1096694812.db2.gz OPLLRKNVHCFEMI-SJORKVTESA-N 2 2 322.497 3.143 20 0 DGADLP CCOc1cc(C)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277165336 1096812550 /nfs/dbraw/zinc/81/25/50/1096812550.db2.gz WVKKKAYPVLFCSM-IBGZPJMESA-N 2 2 302.462 3.311 20 0 DGADLP CCOc1cc(C)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277165336 1096812556 /nfs/dbraw/zinc/81/25/56/1096812556.db2.gz WVKKKAYPVLFCSM-IBGZPJMESA-N 2 2 302.462 3.311 20 0 DGADLP CCOc1cc(C)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277165336 1096812560 /nfs/dbraw/zinc/81/25/60/1096812560.db2.gz WVKKKAYPVLFCSM-IBGZPJMESA-N 2 2 302.462 3.311 20 0 DGADLP CCOc1cc(C)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277165336 1096812564 /nfs/dbraw/zinc/81/25/64/1096812564.db2.gz WVKKKAYPVLFCSM-IBGZPJMESA-N 2 2 302.462 3.311 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCCC[NH2+]CC2CC2)c(C)[nH+]1 ZINC001171861029 1096992515 /nfs/dbraw/zinc/99/25/15/1096992515.db2.gz WZJHCFZCCWPDAC-CQSZACIVSA-N 2 2 317.477 3.295 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171963854 1097007005 /nfs/dbraw/zinc/00/70/05/1097007005.db2.gz FOCOWKKLUYYJRX-KRWDZBQOSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@@H]([NH2+]Cc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC001171963854 1097007009 /nfs/dbraw/zinc/00/70/09/1097007009.db2.gz FOCOWKKLUYYJRX-KRWDZBQOSA-N 2 2 310.445 3.009 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001171944378 1097014310 /nfs/dbraw/zinc/01/43/10/1097014310.db2.gz OMEUWMQUJLZTII-WUJZJPHMSA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001171944378 1097014316 /nfs/dbraw/zinc/01/43/16/1097014316.db2.gz OMEUWMQUJLZTII-WUJZJPHMSA-N 2 2 324.509 3.208 20 0 DGADLP CC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987577 1097029431 /nfs/dbraw/zinc/02/94/31/1097029431.db2.gz XWPNKVGCKSYOGN-MOPGFXCFSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987577 1097029438 /nfs/dbraw/zinc/02/94/38/1097029438.db2.gz XWPNKVGCKSYOGN-MOPGFXCFSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987577 1097029445 /nfs/dbraw/zinc/02/94/45/1097029445.db2.gz XWPNKVGCKSYOGN-MOPGFXCFSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987577 1097029450 /nfs/dbraw/zinc/02/94/50/1097029450.db2.gz XWPNKVGCKSYOGN-MOPGFXCFSA-N 2 2 314.473 3.341 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cnccn2)C3)cc1 ZINC001172062574 1097042743 /nfs/dbraw/zinc/04/27/43/1097042743.db2.gz PZTGGJTWZHLXBG-FNLKRUPLSA-N 2 2 322.456 3.152 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]Cc2cnccn2)C3)cc1 ZINC001172062574 1097042747 /nfs/dbraw/zinc/04/27/47/1097042747.db2.gz PZTGGJTWZHLXBG-FNLKRUPLSA-N 2 2 322.456 3.152 20 0 DGADLP c1nocc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064241 1097044463 /nfs/dbraw/zinc/04/44/63/1097044463.db2.gz GMQMVGRPFQQGED-LDLYASANSA-N 2 2 311.429 3.350 20 0 DGADLP c1nocc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064241 1097044470 /nfs/dbraw/zinc/04/44/70/1097044470.db2.gz GMQMVGRPFQQGED-LDLYASANSA-N 2 2 311.429 3.350 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cccnn2)C3)cc1 ZINC001172065792 1097044774 /nfs/dbraw/zinc/04/47/74/1097044774.db2.gz QZNWKCFQVPSBQE-OWZKRDHZSA-N 2 2 322.456 3.152 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]Cc2cccnn2)C3)cc1 ZINC001172065792 1097044782 /nfs/dbraw/zinc/04/47/82/1097044782.db2.gz QZNWKCFQVPSBQE-OWZKRDHZSA-N 2 2 322.456 3.152 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163272 1097077347 /nfs/dbraw/zinc/07/73/47/1097077347.db2.gz BIRUJSQMDWUBSE-CABCVRRESA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163272 1097077353 /nfs/dbraw/zinc/07/73/53/1097077353.db2.gz BIRUJSQMDWUBSE-CABCVRRESA-N 2 2 314.832 3.388 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@@H]1F ZINC001206163399 1097086761 /nfs/dbraw/zinc/08/67/61/1097086761.db2.gz CEKHLKALILAWIG-WCQYABFASA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC[C@@H]1F ZINC001206163399 1097086767 /nfs/dbraw/zinc/08/67/67/1097086767.db2.gz CEKHLKALILAWIG-WCQYABFASA-N 2 2 308.294 3.106 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC001172246345 1097090755 /nfs/dbraw/zinc/09/07/55/1097090755.db2.gz BJCRWXPGSCMNPK-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP COCCC[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC001172247653 1097091007 /nfs/dbraw/zinc/09/10/07/1097091007.db2.gz RONLGYBWMOPNQZ-UHFFFAOYSA-N 2 2 322.880 3.420 20 0 DGADLP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172323757 1097101056 /nfs/dbraw/zinc/10/10/56/1097101056.db2.gz JGFLICVEDOBOMB-JKSUJKDBSA-N 2 2 305.466 3.234 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@@H]1C ZINC001172377899 1097112794 /nfs/dbraw/zinc/11/27/94/1097112794.db2.gz ZPMPYHAIZMQKKJ-PPLKHSGQSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C[C@@H]1C ZINC001172377899 1097112799 /nfs/dbraw/zinc/11/27/99/1097112799.db2.gz ZPMPYHAIZMQKKJ-PPLKHSGQSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C[C@@H]1C ZINC001172377899 1097112803 /nfs/dbraw/zinc/11/28/03/1097112803.db2.gz ZPMPYHAIZMQKKJ-PPLKHSGQSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C[C@@H]1C ZINC001172377899 1097112807 /nfs/dbraw/zinc/11/28/07/1097112807.db2.gz ZPMPYHAIZMQKKJ-PPLKHSGQSA-N 2 2 313.489 3.270 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@H]1C ZINC001172377107 1097113052 /nfs/dbraw/zinc/11/30/52/1097113052.db2.gz XCJQLNVOJOBSPZ-NUJGCVRESA-N 2 2 316.493 3.119 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)C[C@H]1C ZINC001172377107 1097113053 /nfs/dbraw/zinc/11/30/53/1097113053.db2.gz XCJQLNVOJOBSPZ-NUJGCVRESA-N 2 2 316.493 3.119 20 0 DGADLP CC[C@@H](CC(C)C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172403403 1097129716 /nfs/dbraw/zinc/12/97/16/1097129716.db2.gz SBYXSZSYYNFTAP-KRWDZBQOSA-N 2 2 304.482 3.119 20 0 DGADLP CC[C@@H](CC(C)C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001172403403 1097129719 /nfs/dbraw/zinc/12/97/19/1097129719.db2.gz SBYXSZSYYNFTAP-KRWDZBQOSA-N 2 2 304.482 3.119 20 0 DGADLP CC(C)COCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172461432 1097161860 /nfs/dbraw/zinc/16/18/60/1097161860.db2.gz GMPBMJLFZJNYIU-KRWDZBQOSA-N 2 2 319.493 3.339 20 0 DGADLP Cn1c[nH+]c2cc(Nc3cccc(N4CC[NH+](C)CC4)c3)ccc21 ZINC001212714795 1097379924 /nfs/dbraw/zinc/37/99/24/1097379924.db2.gz SFEPQYMYHFXEAN-UHFFFAOYSA-N 2 2 321.428 3.069 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(SC)c(OC)c1 ZINC001277428817 1097406988 /nfs/dbraw/zinc/40/69/88/1097406988.db2.gz CMUBUQASWNJZGS-GOOCMWNKSA-N 2 2 306.475 3.132 20 0 DGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(SC)c(OC)c1 ZINC001277428817 1097406993 /nfs/dbraw/zinc/40/69/93/1097406993.db2.gz CMUBUQASWNJZGS-GOOCMWNKSA-N 2 2 306.475 3.132 20 0 DGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197359 1097407960 /nfs/dbraw/zinc/40/79/60/1097407960.db2.gz HYEGEQYPENIKEC-CHWSQXEVSA-N 2 2 302.846 3.323 20 0 DGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206197359 1097407962 /nfs/dbraw/zinc/40/79/62/1097407962.db2.gz HYEGEQYPENIKEC-CHWSQXEVSA-N 2 2 302.846 3.323 20 0 DGADLP Cc1[nH+]c2ccccn2c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174444589 1097718052 /nfs/dbraw/zinc/71/80/52/1097718052.db2.gz UYIBDUHDGPSWQI-UHFFFAOYSA-N 2 2 322.412 3.219 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001231524555 1097772419 /nfs/dbraw/zinc/77/24/19/1097772419.db2.gz MKXLCNXLQJVQIB-UHFFFAOYSA-N 2 2 316.367 3.329 20 0 DGADLP COc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001231605258 1097790321 /nfs/dbraw/zinc/79/03/21/1097790321.db2.gz MEESWSHDTZYTOO-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP COc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001231605258 1097790323 /nfs/dbraw/zinc/79/03/23/1097790323.db2.gz MEESWSHDTZYTOO-MRXNPFEDSA-N 2 2 316.376 3.191 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cccc3c[nH]nc32)C2CCCC2)CC1 ZINC001231975003 1097905355 /nfs/dbraw/zinc/90/53/55/1097905355.db2.gz YVBJJCUTAKQDMI-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cccc3c[nH]nc32)C2CCCC2)CC1 ZINC001231975003 1097905358 /nfs/dbraw/zinc/90/53/58/1097905358.db2.gz YVBJJCUTAKQDMI-UHFFFAOYSA-N 2 2 312.461 3.402 20 0 DGADLP Fc1cccc(C[NH+]2CCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001232014230 1097918559 /nfs/dbraw/zinc/91/85/59/1097918559.db2.gz LPNJNNNCVHXCCO-UHFFFAOYSA-N 2 2 324.403 3.020 20 0 DGADLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)on1 ZINC001277605284 1097926657 /nfs/dbraw/zinc/92/66/57/1097926657.db2.gz KAMKPHVYQDOACR-MSOLQXFVSA-N 2 2 314.433 3.036 20 0 DGADLP CC[N@H+](Cc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC001232072580 1097931529 /nfs/dbraw/zinc/93/15/29/1097931529.db2.gz RVDIMRPZBZBXRK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC001232072580 1097931532 /nfs/dbraw/zinc/93/15/32/1097931532.db2.gz RVDIMRPZBZBXRK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP Cc1nc2c(s1)C[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232145946 1097949866 /nfs/dbraw/zinc/94/98/66/1097949866.db2.gz FTMPBMXVZNSEPM-UHFFFAOYSA-N 2 2 319.449 3.211 20 0 DGADLP Cc1nc2c(s1)C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232145946 1097949872 /nfs/dbraw/zinc/94/98/72/1097949872.db2.gz FTMPBMXVZNSEPM-UHFFFAOYSA-N 2 2 319.449 3.211 20 0 DGADLP COCc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001232256333 1097983127 /nfs/dbraw/zinc/98/31/27/1097983127.db2.gz QGSMYDZLKDXFIL-LJQANCHMSA-N 2 2 317.477 3.068 20 0 DGADLP COCc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001232256333 1097983129 /nfs/dbraw/zinc/98/31/29/1097983129.db2.gz QGSMYDZLKDXFIL-LJQANCHMSA-N 2 2 317.477 3.068 20 0 DGADLP COCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001232303521 1097998429 /nfs/dbraw/zinc/99/84/29/1097998429.db2.gz JGVJPXCZKHHGHQ-GOSISDBHSA-N 2 2 312.413 3.190 20 0 DGADLP COCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001232303521 1097998434 /nfs/dbraw/zinc/99/84/34/1097998434.db2.gz JGVJPXCZKHHGHQ-GOSISDBHSA-N 2 2 312.413 3.190 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(C)c3OC(C)C)C[C@@H]2C1 ZINC001232394477 1098026557 /nfs/dbraw/zinc/02/65/57/1098026557.db2.gz PCGJMXZJDASQFE-ROUUACIJSA-N 2 2 302.462 3.166 20 0 DGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503668 1098074414 /nfs/dbraw/zinc/07/44/14/1098074414.db2.gz SJBJQHYXLDKCMB-IAGOWNOFSA-N 2 2 322.497 3.289 20 0 DGADLP Nc1cc(C(F)(F)F)c(Nc2c[nH+]ccc2N2CCCC2)c[nH+]1 ZINC001175711983 1098140478 /nfs/dbraw/zinc/14/04/78/1098140478.db2.gz CXCRLGCROKYTAC-UHFFFAOYSA-N 2 2 323.322 3.421 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Br)co1 ZINC001232855657 1098154187 /nfs/dbraw/zinc/15/41/87/1098154187.db2.gz FKKPPLPGWRUWOQ-UHFFFAOYSA-N 2 2 303.244 3.206 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)co1 ZINC001232855657 1098154188 /nfs/dbraw/zinc/15/41/88/1098154188.db2.gz FKKPPLPGWRUWOQ-UHFFFAOYSA-N 2 2 303.244 3.206 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cncc(-c2ccccc2)c1 ZINC001232903779 1098169683 /nfs/dbraw/zinc/16/96/83/1098169683.db2.gz QLRZYYMGJLNWPH-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cncc(-c2ccccc2)c1 ZINC001232903779 1098169688 /nfs/dbraw/zinc/16/96/88/1098169688.db2.gz QLRZYYMGJLNWPH-UHFFFAOYSA-N 2 2 306.413 3.467 20 0 DGADLP Cc1cccc2[nH+]cc(Nc3cccc(C[NH+]4CCOCC4)c3)n21 ZINC001175857919 1098193155 /nfs/dbraw/zinc/19/31/55/1098193155.db2.gz JUBGYEQBTFMBRX-UHFFFAOYSA-N 2 2 322.412 3.219 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2ccc(F)cc2C)CC1 ZINC001176235355 1098292368 /nfs/dbraw/zinc/29/23/68/1098292368.db2.gz VJGCNIDKGMJZGT-SFHVURJKSA-N 2 2 320.452 3.118 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001176985441 1098459939 /nfs/dbraw/zinc/45/99/39/1098459939.db2.gz SCAPXJIGENMROQ-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)on1 ZINC001176985441 1098459943 /nfs/dbraw/zinc/45/99/43/1098459943.db2.gz SCAPXJIGENMROQ-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC001176985692 1098460347 /nfs/dbraw/zinc/46/03/47/1098460347.db2.gz XTSOTLLTXMZSGJ-KRWDZBQOSA-N 2 2 312.461 3.455 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC001176985692 1098460349 /nfs/dbraw/zinc/46/03/49/1098460349.db2.gz XTSOTLLTXMZSGJ-KRWDZBQOSA-N 2 2 312.461 3.455 20 0 DGADLP CNc1ccccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001177217489 1098495771 /nfs/dbraw/zinc/49/57/71/1098495771.db2.gz ZWBZOVGUUFBXEW-UHFFFAOYSA-N 2 2 306.413 3.263 20 0 DGADLP COCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC001177363239 1098525244 /nfs/dbraw/zinc/52/52/44/1098525244.db2.gz NFPUNXSHNBAVGP-UHFFFAOYSA-N 2 2 322.412 3.012 20 0 DGADLP C[C@@H](C[NH2+]Cc1nc2c(s1)CCCC2)C[NH+]1CCCCC1 ZINC001177416926 1098530878 /nfs/dbraw/zinc/53/08/78/1098530878.db2.gz ZPVNIHWDEPTVRE-AWEZNQCLSA-N 2 2 307.507 3.234 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+]C2CCOCC2)c2ccccc2)CC1 ZINC001177442937 1098539227 /nfs/dbraw/zinc/53/92/27/1098539227.db2.gz XVMCQIVUEQSMFS-LJQANCHMSA-N 2 2 302.462 3.228 20 0 DGADLP COc1nc2ccccc2cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC001177441700 1098539345 /nfs/dbraw/zinc/53/93/45/1098539345.db2.gz FRPRFIZXJXVYJB-UHFFFAOYSA-N 2 2 310.401 3.010 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC(C)C)c1 ZINC001234719702 1098654302 /nfs/dbraw/zinc/65/43/02/1098654302.db2.gz DQFSWCAFOUKAPL-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(OC(C)C)c1 ZINC001234719702 1098654307 /nfs/dbraw/zinc/65/43/07/1098654307.db2.gz DQFSWCAFOUKAPL-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC(C)C)c1 ZINC001234719702 1098654310 /nfs/dbraw/zinc/65/43/10/1098654310.db2.gz DQFSWCAFOUKAPL-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC(C)C)c1 ZINC001234719702 1098654317 /nfs/dbraw/zinc/65/43/17/1098654317.db2.gz DQFSWCAFOUKAPL-LJQANCHMSA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(OC(C)C)c1 ZINC001235001079 1098744580 /nfs/dbraw/zinc/74/45/80/1098744580.db2.gz SFDGDDVTWVDRFK-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(OC(C)C)c1 ZINC001235001079 1098744591 /nfs/dbraw/zinc/74/45/91/1098744591.db2.gz SFDGDDVTWVDRFK-IBGZPJMESA-N 2 2 318.461 3.058 20 0 DGADLP Fc1ccc(Oc2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235026668 1098756906 /nfs/dbraw/zinc/75/69/06/1098756906.db2.gz PJRWNMULYOJDTG-UHFFFAOYSA-N 2 2 312.388 3.413 20 0 DGADLP Fc1ccc(Oc2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235026668 1098756908 /nfs/dbraw/zinc/75/69/08/1098756908.db2.gz PJRWNMULYOJDTG-UHFFFAOYSA-N 2 2 312.388 3.413 20 0 DGADLP CCCCCCOc1ccccc1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024579 1098757588 /nfs/dbraw/zinc/75/75/88/1098757588.db2.gz OEHWQKVDCFBSGK-UHFFFAOYSA-N 2 2 302.462 3.441 20 0 DGADLP CCCCCCOc1ccccc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024579 1098757597 /nfs/dbraw/zinc/75/75/97/1098757597.db2.gz OEHWQKVDCFBSGK-UHFFFAOYSA-N 2 2 302.462 3.441 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c(F)c1 ZINC001235033263 1098762312 /nfs/dbraw/zinc/76/23/12/1098762312.db2.gz WVFJFZGGTWRSPU-IFXJQAMLSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c(F)c1 ZINC001235033263 1098762321 /nfs/dbraw/zinc/76/23/21/1098762321.db2.gz WVFJFZGGTWRSPU-IFXJQAMLSA-N 2 2 314.379 3.426 20 0 DGADLP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036835 1098767139 /nfs/dbraw/zinc/76/71/39/1098767139.db2.gz BVJIEJKYTXMHOQ-IBGZPJMESA-N 2 2 318.461 3.202 20 0 DGADLP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036835 1098767146 /nfs/dbraw/zinc/76/71/46/1098767146.db2.gz BVJIEJKYTXMHOQ-IBGZPJMESA-N 2 2 318.461 3.202 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040556 1098767404 /nfs/dbraw/zinc/76/74/04/1098767404.db2.gz TTWTULXUHFXXBW-LJQANCHMSA-N 2 2 317.477 3.285 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235040556 1098767413 /nfs/dbraw/zinc/76/74/13/1098767413.db2.gz TTWTULXUHFXXBW-LJQANCHMSA-N 2 2 317.477 3.285 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235043634 1098771476 /nfs/dbraw/zinc/77/14/76/1098771476.db2.gz GEAQYHRWHIWPBG-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1Cl ZINC001235043634 1098771485 /nfs/dbraw/zinc/77/14/85/1098771485.db2.gz GEAQYHRWHIWPBG-KRWDZBQOSA-N 2 2 308.853 3.457 20 0 DGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235090241 1098793980 /nfs/dbraw/zinc/79/39/80/1098793980.db2.gz CDJZTOAPRAZFLN-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c1 ZINC001235090241 1098793989 /nfs/dbraw/zinc/79/39/89/1098793989.db2.gz CDJZTOAPRAZFLN-OAHLLOKOSA-N 2 2 314.807 3.469 20 0 DGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113613 1098812749 /nfs/dbraw/zinc/81/27/49/1098812749.db2.gz FHIMFNCBNMPMTR-CEVCPLMDSA-N 2 2 318.505 3.047 20 0 DGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113613 1098812761 /nfs/dbraw/zinc/81/27/61/1098812761.db2.gz FHIMFNCBNMPMTR-CEVCPLMDSA-N 2 2 318.505 3.047 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)ccn1 ZINC001235119421 1098820918 /nfs/dbraw/zinc/82/09/18/1098820918.db2.gz JJOURMPQRUDMHG-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)ccn1 ZINC001235119421 1098820931 /nfs/dbraw/zinc/82/09/31/1098820931.db2.gz JJOURMPQRUDMHG-FQEVSTJZSA-N 2 2 307.441 3.467 20 0 DGADLP c1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235121768 1098823421 /nfs/dbraw/zinc/82/34/21/1098823421.db2.gz VVZGGYHXYTXHBB-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP c1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235121768 1098823427 /nfs/dbraw/zinc/82/34/27/1098823427.db2.gz VVZGGYHXYTXHBB-OAQYLSRUSA-N 2 2 322.452 3.308 20 0 DGADLP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)ccc21 ZINC001235145051 1098835233 /nfs/dbraw/zinc/83/52/33/1098835233.db2.gz BBFYKNSGFLHAHC-YWZLYKJASA-N 2 2 305.425 3.347 20 0 DGADLP CCn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)ccc21 ZINC001235145051 1098835244 /nfs/dbraw/zinc/83/52/44/1098835244.db2.gz BBFYKNSGFLHAHC-YWZLYKJASA-N 2 2 305.425 3.347 20 0 DGADLP COc1cccc2[nH]cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c21 ZINC001235180339 1098861003 /nfs/dbraw/zinc/86/10/03/1098861003.db2.gz VRXBLMYYBOHQAW-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP COc1cccc2[nH]cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c21 ZINC001235180339 1098861007 /nfs/dbraw/zinc/86/10/07/1098861007.db2.gz VRXBLMYYBOHQAW-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP COc1cccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235178942 1098861285 /nfs/dbraw/zinc/86/12/85/1098861285.db2.gz PYHQHJHXTPENHK-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP COc1cccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235178942 1098861293 /nfs/dbraw/zinc/86/12/93/1098861293.db2.gz PYHQHJHXTPENHK-IBGZPJMESA-N 2 2 313.445 3.285 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)cc1Br ZINC001235191751 1098867017 /nfs/dbraw/zinc/86/70/17/1098867017.db2.gz XTRXLIVRZVXDNZ-HIFRSBDPSA-N 2 2 323.278 3.107 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)cc1Br ZINC001235191751 1098867023 /nfs/dbraw/zinc/86/70/23/1098867023.db2.gz XTRXLIVRZVXDNZ-HIFRSBDPSA-N 2 2 323.278 3.107 20 0 DGADLP Fc1ccc(Cl)nc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235242084 1098917020 /nfs/dbraw/zinc/91/70/20/1098917020.db2.gz QTSKDBAULQQVBL-AWEZNQCLSA-N 2 2 311.832 3.228 20 0 DGADLP CC(C)C[C@@H](C(=O)NCCCCCC[NH2+]C(C)C)n1cc[nH+]c1 ZINC001178770693 1098921455 /nfs/dbraw/zinc/92/14/55/1098921455.db2.gz NOEQVWBKVSXGIB-KRWDZBQOSA-N 2 2 322.497 3.145 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cn1 ZINC001235252740 1098925499 /nfs/dbraw/zinc/92/54/99/1098925499.db2.gz CNGDRFDBXPRHLD-NHCUHLMSSA-N 2 2 321.468 3.420 20 0 DGADLP Cc1cc(C)c(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cn1 ZINC001235252740 1098925509 /nfs/dbraw/zinc/92/55/09/1098925509.db2.gz CNGDRFDBXPRHLD-NHCUHLMSSA-N 2 2 321.468 3.420 20 0 DGADLP CCc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001235257214 1098929608 /nfs/dbraw/zinc/92/96/08/1098929608.db2.gz FVQLXDOWYYLKEF-KDURUIRLSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001235257214 1098929612 /nfs/dbraw/zinc/92/96/12/1098929612.db2.gz FVQLXDOWYYLKEF-KDURUIRLSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001235257214 1098929614 /nfs/dbraw/zinc/92/96/14/1098929614.db2.gz FVQLXDOWYYLKEF-KDURUIRLSA-N 2 2 321.468 3.208 20 0 DGADLP CCc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001235257214 1098929615 /nfs/dbraw/zinc/92/96/15/1098929615.db2.gz FVQLXDOWYYLKEF-KDURUIRLSA-N 2 2 321.468 3.208 20 0 DGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)c(F)c1 ZINC001235261182 1098933365 /nfs/dbraw/zinc/93/33/65/1098933365.db2.gz PEVIUKPUSOKEDB-HNAYVOBHSA-N 2 2 314.379 3.426 20 0 DGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)c(F)c1 ZINC001235261182 1098933371 /nfs/dbraw/zinc/93/33/71/1098933371.db2.gz PEVIUKPUSOKEDB-HNAYVOBHSA-N 2 2 314.379 3.426 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235270841 1098940082 /nfs/dbraw/zinc/94/00/82/1098940082.db2.gz NMOGZJDXHZSBHX-CZUORRHYSA-N 2 2 323.278 3.250 20 0 DGADLP Cc1cc(Br)cc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235270841 1098940095 /nfs/dbraw/zinc/94/00/95/1098940095.db2.gz NMOGZJDXHZSBHX-CZUORRHYSA-N 2 2 323.278 3.250 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1C1CC1 ZINC001235399170 1098995331 /nfs/dbraw/zinc/99/53/31/1098995331.db2.gz BNXOGGURRCGPOB-ZWKOTPCHSA-N 2 2 306.400 3.227 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1C1CC1 ZINC001235399170 1098995339 /nfs/dbraw/zinc/99/53/39/1098995339.db2.gz BNXOGGURRCGPOB-ZWKOTPCHSA-N 2 2 306.400 3.227 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399360 1098995740 /nfs/dbraw/zinc/99/57/40/1098995740.db2.gz ANEUAKGUTRZAFP-NVXWUHKLSA-N 2 2 321.827 3.345 20 0 DGADLP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001235399360 1098995746 /nfs/dbraw/zinc/99/57/46/1098995746.db2.gz ANEUAKGUTRZAFP-NVXWUHKLSA-N 2 2 321.827 3.345 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc(C)c1Cl ZINC001235401773 1098996909 /nfs/dbraw/zinc/99/69/09/1098996909.db2.gz TURBQQVLYRPSEA-DOTOQJQBSA-N 2 2 310.844 3.480 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc(C)c1Cl ZINC001235401773 1098996918 /nfs/dbraw/zinc/99/69/18/1098996918.db2.gz TURBQQVLYRPSEA-DOTOQJQBSA-N 2 2 310.844 3.480 20 0 DGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403236 1098999011 /nfs/dbraw/zinc/99/90/11/1098999011.db2.gz ZXDBRNPXNHIEPD-DLBZAZTESA-N 2 2 306.356 3.095 20 0 DGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403236 1098999014 /nfs/dbraw/zinc/99/90/14/1098999014.db2.gz ZXDBRNPXNHIEPD-DLBZAZTESA-N 2 2 306.356 3.095 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001235434421 1099032908 /nfs/dbraw/zinc/03/29/08/1099032908.db2.gz QHMQHJBTEZZCGI-UHFFFAOYSA-N 2 2 319.493 3.482 20 0 DGADLP Cc1cc(OC(C)C)ncc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001235434421 1099032916 /nfs/dbraw/zinc/03/29/16/1099032916.db2.gz QHMQHJBTEZZCGI-UHFFFAOYSA-N 2 2 319.493 3.482 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001179259523 1099049504 /nfs/dbraw/zinc/04/95/04/1099049504.db2.gz USTOKCNBAMGCTE-MRXNPFEDSA-N 2 2 320.452 3.436 20 0 DGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001179259523 1099049517 /nfs/dbraw/zinc/04/95/17/1099049517.db2.gz USTOKCNBAMGCTE-MRXNPFEDSA-N 2 2 320.452 3.436 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@@H+](C[C@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529879 1099076955 /nfs/dbraw/zinc/07/69/55/1099076955.db2.gz CLHJYUVVCMHNOA-XUVXKRRUSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](C[C@H]2CCCC[NH2+]2)C3)cc1 ZINC001235529879 1099076969 /nfs/dbraw/zinc/07/69/69/1099076969.db2.gz CLHJYUVVCMHNOA-XUVXKRRUSA-N 2 2 314.473 3.167 20 0 DGADLP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H](C)[NH3+])CC3)cc1 ZINC001235533783 1099080273 /nfs/dbraw/zinc/08/02/73/1099080273.db2.gz VRMVJNVPNKGGTI-SFHVURJKSA-N 3 2 315.505 3.020 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001235675351 1099118280 /nfs/dbraw/zinc/11/82/80/1099118280.db2.gz WILXDEMEPZGHIV-LLVKDONJSA-N 2 2 322.758 3.409 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001235675351 1099118285 /nfs/dbraw/zinc/11/82/85/1099118285.db2.gz WILXDEMEPZGHIV-LLVKDONJSA-N 2 2 322.758 3.409 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1Br ZINC001235676607 1099120537 /nfs/dbraw/zinc/12/05/37/1099120537.db2.gz SRMMWXTTXJYFCJ-CYBMUJFWSA-N 2 2 311.267 3.237 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(C)c1Br ZINC001235676607 1099120540 /nfs/dbraw/zinc/12/05/40/1099120540.db2.gz SRMMWXTTXJYFCJ-CYBMUJFWSA-N 2 2 311.267 3.237 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001235676724 1099120806 /nfs/dbraw/zinc/12/08/06/1099120806.db2.gz UYEQJZJLLQRCKQ-NSHDSACASA-N 2 2 322.758 3.409 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)C1 ZINC001235676724 1099120809 /nfs/dbraw/zinc/12/08/09/1099120809.db2.gz UYEQJZJLLQRCKQ-NSHDSACASA-N 2 2 322.758 3.409 20 0 DGADLP c1ccc(COc2ccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235711711 1099139747 /nfs/dbraw/zinc/13/97/47/1099139747.db2.gz UCSZEVWABQETRF-UHFFFAOYSA-N 2 2 322.452 3.451 20 0 DGADLP c1ccc(COc2ccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235711711 1099139756 /nfs/dbraw/zinc/13/97/56/1099139756.db2.gz UCSZEVWABQETRF-UHFFFAOYSA-N 2 2 322.452 3.451 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CO1 ZINC001235714553 1099142331 /nfs/dbraw/zinc/14/23/31/1099142331.db2.gz NIOAKVZUWKENHS-XJKSGUPXSA-N 2 2 310.388 3.216 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CO1 ZINC001235714553 1099142333 /nfs/dbraw/zinc/14/23/33/1099142333.db2.gz NIOAKVZUWKENHS-XJKSGUPXSA-N 2 2 310.388 3.216 20 0 DGADLP CC(C)CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705774 1099179167 /nfs/dbraw/zinc/17/91/67/1099179167.db2.gz NHEMWXPYUKSMRU-QGZVFWFLSA-N 2 2 322.497 3.147 20 0 DGADLP COCCC[N@H+](Cc1ccc(C(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001235809570 1099189310 /nfs/dbraw/zinc/18/93/10/1099189310.db2.gz YVOBUUXEXWUEFD-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001235809570 1099189314 /nfs/dbraw/zinc/18/93/14/1099189314.db2.gz YVOBUUXEXWUEFD-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001235807118 1099189344 /nfs/dbraw/zinc/18/93/44/1099189344.db2.gz LHFOVHNPBICJTG-GOSISDBHSA-N 2 2 302.462 3.155 20 0 DGADLP COCCC[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001235807118 1099189346 /nfs/dbraw/zinc/18/93/46/1099189346.db2.gz LHFOVHNPBICJTG-GOSISDBHSA-N 2 2 302.462 3.155 20 0 DGADLP COCCC[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808191 1099189477 /nfs/dbraw/zinc/18/94/77/1099189477.db2.gz YHKDSHPOXIELFP-IBGZPJMESA-N 2 2 302.462 3.155 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808191 1099189480 /nfs/dbraw/zinc/18/94/80/1099189480.db2.gz YHKDSHPOXIELFP-IBGZPJMESA-N 2 2 302.462 3.155 20 0 DGADLP COCCC[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808192 1099189856 /nfs/dbraw/zinc/18/98/56/1099189856.db2.gz YHKDSHPOXIELFP-LJQANCHMSA-N 2 2 302.462 3.155 20 0 DGADLP COCCC[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808192 1099189861 /nfs/dbraw/zinc/18/98/61/1099189861.db2.gz YHKDSHPOXIELFP-LJQANCHMSA-N 2 2 302.462 3.155 20 0 DGADLP COCCC[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235807999 1099189935 /nfs/dbraw/zinc/18/99/35/1099189935.db2.gz QPMSGSORTODQKR-HXUWFJFHSA-N 2 2 312.457 3.430 20 0 DGADLP COCCC[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001235807999 1099189939 /nfs/dbraw/zinc/18/99/39/1099189939.db2.gz QPMSGSORTODQKR-HXUWFJFHSA-N 2 2 312.457 3.430 20 0 DGADLP COCCC[N@H+](Cc1cccc(C(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001235811666 1099190570 /nfs/dbraw/zinc/19/05/70/1099190570.db2.gz WSRKOMMIDUFPQR-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@@H+](Cc1cccc(C(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001235811666 1099190576 /nfs/dbraw/zinc/19/05/76/1099190576.db2.gz WSRKOMMIDUFPQR-IBGZPJMESA-N 2 2 304.478 3.401 20 0 DGADLP CCc1cc(C[N@H+](CCCOC)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001235811088 1099191251 /nfs/dbraw/zinc/19/12/51/1099191251.db2.gz SCMKPOQBLWLFKF-QGZVFWFLSA-N 2 2 324.896 3.493 20 0 DGADLP CCc1cc(C[N@@H+](CCCOC)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001235811088 1099191257 /nfs/dbraw/zinc/19/12/57/1099191257.db2.gz SCMKPOQBLWLFKF-QGZVFWFLSA-N 2 2 324.896 3.493 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH+]ccc1N(C)C ZINC001179817659 1099212884 /nfs/dbraw/zinc/21/28/84/1099212884.db2.gz RBHDGVLWNGHWQY-UHFFFAOYSA-N 2 2 313.380 3.268 20 0 DGADLP CC(C)[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC001179837851 1099215847 /nfs/dbraw/zinc/21/58/47/1099215847.db2.gz BRCJSVQMWBXYGP-RBUKOAKNSA-N 2 2 301.478 3.356 20 0 DGADLP Fc1cccc(Cl)c1CC1CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 ZINC001235897262 1099241359 /nfs/dbraw/zinc/24/13/59/1099241359.db2.gz YNZQUUTXJMTJNX-AWEZNQCLSA-N 2 2 310.844 3.486 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235907733 1099251563 /nfs/dbraw/zinc/25/15/63/1099251563.db2.gz STHGYTFMNGSMRI-WCQYABFASA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235907733 1099251571 /nfs/dbraw/zinc/25/15/71/1099251571.db2.gz STHGYTFMNGSMRI-WCQYABFASA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235926255 1099263021 /nfs/dbraw/zinc/26/30/21/1099263021.db2.gz VQIDGUAUCISJRI-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235926255 1099263030 /nfs/dbraw/zinc/26/30/30/1099263030.db2.gz VQIDGUAUCISJRI-LBPRGKRZSA-N 2 2 315.230 3.210 20 0 DGADLP Cc1ccc2cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nc2c1 ZINC001235940305 1099274809 /nfs/dbraw/zinc/27/48/09/1099274809.db2.gz SDUSEABSLXVFGY-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1ccc2cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nc2c1 ZINC001235940305 1099274814 /nfs/dbraw/zinc/27/48/14/1099274814.db2.gz SDUSEABSLXVFGY-GDBMZVCRSA-N 2 2 315.848 3.238 20 0 DGADLP Clc1cccc([C@@H]2CSCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001235946689 1099279269 /nfs/dbraw/zinc/27/92/69/1099279269.db2.gz PKVWBUQZCWJUER-BBRMVZONSA-N 2 2 310.894 3.430 20 0 DGADLP Clc1cccc([C@@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001235946689 1099279275 /nfs/dbraw/zinc/27/92/75/1099279275.db2.gz PKVWBUQZCWJUER-BBRMVZONSA-N 2 2 310.894 3.430 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958271 1099289327 /nfs/dbraw/zinc/28/93/27/1099289327.db2.gz CGUCPTOOEDDWJB-CWPLJXCYSA-N 2 2 310.441 3.408 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958271 1099289335 /nfs/dbraw/zinc/28/93/35/1099289335.db2.gz CGUCPTOOEDDWJB-CWPLJXCYSA-N 2 2 310.441 3.408 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235989297 1099312925 /nfs/dbraw/zinc/31/29/25/1099312925.db2.gz IZKFKHRFMOSTSP-CTNGQTDRSA-N 2 2 322.452 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235989297 1099312936 /nfs/dbraw/zinc/31/29/36/1099312936.db2.gz IZKFKHRFMOSTSP-CTNGQTDRSA-N 2 2 322.452 3.497 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989807 1099313618 /nfs/dbraw/zinc/31/36/18/1099313618.db2.gz DNUDLPCCIJEFDV-CRAIPNDOSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(Cl)cn3)cc1)C2 ZINC001235989807 1099313631 /nfs/dbraw/zinc/31/36/31/1099313631.db2.gz DNUDLPCCIJEFDV-CRAIPNDOSA-N 2 2 313.832 3.325 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)s2)cc1 ZINC001235997840 1099320723 /nfs/dbraw/zinc/32/07/23/1099320723.db2.gz WZQHKHUDTIANPD-RDTXWAMCSA-N 2 2 314.454 3.347 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)s2)cc1 ZINC001235997840 1099320737 /nfs/dbraw/zinc/32/07/37/1099320737.db2.gz WZQHKHUDTIANPD-RDTXWAMCSA-N 2 2 314.454 3.347 20 0 DGADLP Fc1cc(F)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Cl)c1 ZINC001236008497 1099330283 /nfs/dbraw/zinc/33/02/83/1099330283.db2.gz FVCONXGGQIZMFP-UHFFFAOYSA-N 2 2 300.780 3.194 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236046561 1099349147 /nfs/dbraw/zinc/34/91/47/1099349147.db2.gz HHVDFAQPMNRITQ-WFASDCNBSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236046561 1099349158 /nfs/dbraw/zinc/34/91/58/1099349158.db2.gz HHVDFAQPMNRITQ-WFASDCNBSA-N 2 2 301.459 3.288 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c2c(OC)cccc12 ZINC001236052015 1099354848 /nfs/dbraw/zinc/35/48/48/1099354848.db2.gz ZHSRBVSRRVDILI-UKRRQHHQSA-N 2 2 314.429 3.026 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c2c(OC)cccc12 ZINC001236052015 1099354858 /nfs/dbraw/zinc/35/48/58/1099354858.db2.gz ZHSRBVSRRVDILI-UKRRQHHQSA-N 2 2 314.429 3.026 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001236073513 1099372119 /nfs/dbraw/zinc/37/21/19/1099372119.db2.gz TYIRZWRIKKQZJG-ZWNOBZJWSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001236073513 1099372132 /nfs/dbraw/zinc/37/21/32/1099372132.db2.gz TYIRZWRIKKQZJG-ZWNOBZJWSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001236086772 1099379480 /nfs/dbraw/zinc/37/94/80/1099379480.db2.gz SQBBDFHZKZBVAN-SWLSCSKDSA-N 2 2 320.383 3.282 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001236086772 1099379485 /nfs/dbraw/zinc/37/94/85/1099379485.db2.gz SQBBDFHZKZBVAN-SWLSCSKDSA-N 2 2 320.383 3.282 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)s2)cc1 ZINC001236094260 1099383323 /nfs/dbraw/zinc/38/33/23/1099383323.db2.gz QHOPWCYRXQLTGN-WBMJQRKESA-N 2 2 302.443 3.203 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)s2)cc1 ZINC001236094260 1099383331 /nfs/dbraw/zinc/38/33/31/1099383331.db2.gz QHOPWCYRXQLTGN-WBMJQRKESA-N 2 2 302.443 3.203 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C[C@@H]1[NH3+] ZINC001236094512 1099385075 /nfs/dbraw/zinc/38/50/75/1099385075.db2.gz ZOCXCEYZCNNKAW-XIKOKIGWSA-N 2 2 302.368 3.411 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C[C@@H]1[NH3+] ZINC001236094512 1099385087 /nfs/dbraw/zinc/38/50/87/1099385087.db2.gz ZOCXCEYZCNNKAW-XIKOKIGWSA-N 2 2 302.368 3.411 20 0 DGADLP Cc1cc(Br)cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236205505 1099462609 /nfs/dbraw/zinc/46/26/09/1099462609.db2.gz FRBKISGWMDKWMA-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(Br)cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236205505 1099462616 /nfs/dbraw/zinc/46/26/16/1099462616.db2.gz FRBKISGWMDKWMA-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CN(C)c1ccc2cc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236208610 1099464060 /nfs/dbraw/zinc/46/40/60/1099464060.db2.gz UXOREJJXADYVCH-FQEVSTJZSA-N 2 2 311.473 3.480 20 0 DGADLP CN(C)c1ccc2cc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236208610 1099464077 /nfs/dbraw/zinc/46/40/77/1099464077.db2.gz UXOREJJXADYVCH-FQEVSTJZSA-N 2 2 311.473 3.480 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213167 1099468558 /nfs/dbraw/zinc/46/85/58/1099468558.db2.gz AKRKAUMXRORUME-OLZOCXBDSA-N 2 2 320.330 3.426 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213167 1099468562 /nfs/dbraw/zinc/46/85/62/1099468562.db2.gz AKRKAUMXRORUME-OLZOCXBDSA-N 2 2 320.330 3.426 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217276 1099474037 /nfs/dbraw/zinc/47/40/37/1099474037.db2.gz OULRDOHPDUMPPR-HUUCEWRRSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C(F)(F)F)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217276 1099474045 /nfs/dbraw/zinc/47/40/45/1099474045.db2.gz OULRDOHPDUMPPR-HUUCEWRRSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219124 1099475585 /nfs/dbraw/zinc/47/55/85/1099475585.db2.gz UQUJTGZGFUVEIS-GJZGRUSLSA-N 2 2 316.367 3.416 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c(C(F)(F)F)c1 ZINC001236219124 1099475589 /nfs/dbraw/zinc/47/55/89/1099475589.db2.gz UQUJTGZGFUVEIS-GJZGRUSLSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1C(F)(F)F ZINC001236219121 1099476125 /nfs/dbraw/zinc/47/61/25/1099476125.db2.gz UPSYUSZTOJDSTO-UONOGXRCSA-N 2 2 316.367 3.416 20 0 DGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1C(F)(F)F ZINC001236219121 1099476129 /nfs/dbraw/zinc/47/61/29/1099476129.db2.gz UPSYUSZTOJDSTO-UONOGXRCSA-N 2 2 316.367 3.416 20 0 DGADLP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1OCC ZINC001236219826 1099477627 /nfs/dbraw/zinc/47/76/27/1099477627.db2.gz XXIUMLMDCPGRKZ-CVEARBPZSA-N 2 2 306.450 3.186 20 0 DGADLP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1OCC ZINC001236219826 1099477641 /nfs/dbraw/zinc/47/76/41/1099477641.db2.gz XXIUMLMDCPGRKZ-CVEARBPZSA-N 2 2 306.450 3.186 20 0 DGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236242061 1099496947 /nfs/dbraw/zinc/49/69/47/1099496947.db2.gz VPBRHVSWMKQSRV-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236242061 1099496954 /nfs/dbraw/zinc/49/69/54/1099496954.db2.gz VPBRHVSWMKQSRV-AWEZNQCLSA-N 2 2 316.367 3.252 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccccc1 ZINC001236246468 1099500999 /nfs/dbraw/zinc/50/09/99/1099500999.db2.gz CPTWZYCBYVYFBH-LJQANCHMSA-N 2 2 310.441 3.497 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccccc1 ZINC001236246468 1099501011 /nfs/dbraw/zinc/50/10/11/1099501011.db2.gz CPTWZYCBYVYFBH-LJQANCHMSA-N 2 2 310.441 3.497 20 0 DGADLP c1cn2c(cccc2CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)[nH+]1 ZINC001236269516 1099511296 /nfs/dbraw/zinc/51/12/96/1099511296.db2.gz GDPLKUQDYNHPGO-SFHVURJKSA-N 2 2 320.440 3.089 20 0 DGADLP CCC(=O)C(C)(C)C[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270480 1099512230 /nfs/dbraw/zinc/51/22/30/1099512230.db2.gz UTOOHRMLAUHJIK-KRWDZBQOSA-N 2 2 302.462 3.246 20 0 DGADLP CCC(=O)C(C)(C)C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270480 1099512238 /nfs/dbraw/zinc/51/22/38/1099512238.db2.gz UTOOHRMLAUHJIK-KRWDZBQOSA-N 2 2 302.462 3.246 20 0 DGADLP CCC[N@H+](Cc1cc2cc(OC)ccc2s1)[C@@H]1CC[NH2+]C1 ZINC001236323295 1099536963 /nfs/dbraw/zinc/53/69/63/1099536963.db2.gz DBDKNWCOXIXNKD-CQSZACIVSA-N 2 2 304.459 3.484 20 0 DGADLP CCC[N@@H+](Cc1cc2cc(OC)ccc2s1)[C@@H]1CC[NH2+]C1 ZINC001236323295 1099536973 /nfs/dbraw/zinc/53/69/73/1099536973.db2.gz DBDKNWCOXIXNKD-CQSZACIVSA-N 2 2 304.459 3.484 20 0 DGADLP COCC[N@H+](Cc1ccc(C)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236327424 1099540440 /nfs/dbraw/zinc/54/04/40/1099540440.db2.gz FKZXBTRXARLDMH-SFHVURJKSA-N 2 2 312.457 3.349 20 0 DGADLP COCC[N@@H+](Cc1ccc(C)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001236327424 1099540446 /nfs/dbraw/zinc/54/04/46/1099540446.db2.gz FKZXBTRXARLDMH-SFHVURJKSA-N 2 2 312.457 3.349 20 0 DGADLP Nc1nccc(Cl)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373899 1099561078 /nfs/dbraw/zinc/56/10/78/1099561078.db2.gz NEAWUAYNICSTEP-CYBMUJFWSA-N 2 2 322.884 3.061 20 0 DGADLP Nc1nccc(Cl)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373899 1099561087 /nfs/dbraw/zinc/56/10/87/1099561087.db2.gz NEAWUAYNICSTEP-CYBMUJFWSA-N 2 2 322.884 3.061 20 0 DGADLP Oc1cc(F)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376863 1099564981 /nfs/dbraw/zinc/56/49/81/1099564981.db2.gz UZFITWOOPBKCDV-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP Oc1cc(F)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(F)c1 ZINC001236376863 1099564992 /nfs/dbraw/zinc/56/49/92/1099564992.db2.gz UZFITWOOPBKCDV-ZDUSSCGKSA-N 2 2 324.415 3.415 20 0 DGADLP CC[N@@H+](Cc1cccc(Br)c1F)C[C@H]1CC[NH2+]C1 ZINC001236407076 1099579691 /nfs/dbraw/zinc/57/96/91/1099579691.db2.gz BMKNMASMCLWQHQ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+](Cc1cccc(Br)c1F)C[C@H]1CC[NH2+]C1 ZINC001236407076 1099579699 /nfs/dbraw/zinc/57/96/99/1099579699.db2.gz BMKNMASMCLWQHQ-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@@H+](Cc1ccc(F)c(F)c1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236412136 1099586418 /nfs/dbraw/zinc/58/64/18/1099586418.db2.gz RXAPHKVPHKKNDJ-ZDUSSCGKSA-N 2 2 312.404 3.183 20 0 DGADLP COc1ccc(C2=CC[N@H+](C[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC001236412545 1099586223 /nfs/dbraw/zinc/58/62/23/1099586223.db2.gz WKFJYVVVWCVQFW-HXUWFJFHSA-N 2 2 322.452 3.354 20 0 DGADLP COc1ccc(C2=CC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC001236412545 1099586236 /nfs/dbraw/zinc/58/62/36/1099586236.db2.gz WKFJYVVVWCVQFW-HXUWFJFHSA-N 2 2 322.452 3.354 20 0 DGADLP CC[N@H+](Cc1ccc(F)c(F)c1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236412136 1099586427 /nfs/dbraw/zinc/58/64/27/1099586427.db2.gz RXAPHKVPHKKNDJ-ZDUSSCGKSA-N 2 2 312.404 3.183 20 0 DGADLP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412809 1099588427 /nfs/dbraw/zinc/58/84/27/1099588427.db2.gz MAWBWJZPOFGGTM-ITGUQSILSA-N 2 2 304.743 3.008 20 0 DGADLP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412809 1099588438 /nfs/dbraw/zinc/58/84/38/1099588438.db2.gz MAWBWJZPOFGGTM-ITGUQSILSA-N 2 2 304.743 3.008 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236416141 1099590893 /nfs/dbraw/zinc/59/08/93/1099590893.db2.gz ATYNNHOPGUNCQC-CYBMUJFWSA-N 2 2 322.250 3.114 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c[nH]c2cc(Br)ccc12 ZINC001236416141 1099590906 /nfs/dbraw/zinc/59/09/06/1099590906.db2.gz ATYNNHOPGUNCQC-CYBMUJFWSA-N 2 2 322.250 3.114 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001236432571 1099607579 /nfs/dbraw/zinc/60/75/79/1099607579.db2.gz AQCZJQDISGBUFM-DZGCQCFKSA-N 2 2 314.351 3.474 20 0 DGADLP FC(F)(F)Oc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001236432571 1099607581 /nfs/dbraw/zinc/60/75/81/1099607581.db2.gz AQCZJQDISGBUFM-DZGCQCFKSA-N 2 2 314.351 3.474 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236467869 1099628519 /nfs/dbraw/zinc/62/85/19/1099628519.db2.gz KSTMMZQMYWLKSP-QGZVFWFLSA-N 2 2 316.424 3.178 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236467869 1099628525 /nfs/dbraw/zinc/62/85/25/1099628525.db2.gz KSTMMZQMYWLKSP-QGZVFWFLSA-N 2 2 316.424 3.178 20 0 DGADLP c1ccc2c(c1)CC(C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1)C2 ZINC001236479530 1099636603 /nfs/dbraw/zinc/63/66/03/1099636603.db2.gz XHORRLAQVMHXJU-NRFANRHFSA-N 2 2 321.468 3.051 20 0 DGADLP c1ccc2c(c1)CC(C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1)C2 ZINC001236479530 1099636609 /nfs/dbraw/zinc/63/66/09/1099636609.db2.gz XHORRLAQVMHXJU-NRFANRHFSA-N 2 2 321.468 3.051 20 0 DGADLP CCOc1cc(F)cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236478643 1099637160 /nfs/dbraw/zinc/63/71/60/1099637160.db2.gz JOYPUGFASXWSLY-QGZVFWFLSA-N 2 2 308.441 3.434 20 0 DGADLP CCOc1cc(F)cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236478643 1099637166 /nfs/dbraw/zinc/63/71/66/1099637166.db2.gz JOYPUGFASXWSLY-QGZVFWFLSA-N 2 2 308.441 3.434 20 0 DGADLP Cc1ccc(C[N@H+](C[C@H]2CCC=CO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492659 1099643925 /nfs/dbraw/zinc/64/39/25/1099643925.db2.gz NZUVBPSVONCSBH-GOSISDBHSA-N 2 2 318.436 3.381 20 0 DGADLP Cc1ccc(C[N@@H+](C[C@H]2CCC=CO2)C2CC[NH2+]CC2)c(F)c1 ZINC001236492659 1099643931 /nfs/dbraw/zinc/64/39/31/1099643931.db2.gz NZUVBPSVONCSBH-GOSISDBHSA-N 2 2 318.436 3.381 20 0 DGADLP CC(C)Oc1cncc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001236521402 1099657798 /nfs/dbraw/zinc/65/77/98/1099657798.db2.gz LRTQFTMNKXRKTI-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cncc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001236521402 1099657806 /nfs/dbraw/zinc/65/78/06/1099657806.db2.gz LRTQFTMNKXRKTI-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)[N@H+](Cc1ccc2nccc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236528238 1099663728 /nfs/dbraw/zinc/66/37/28/1099663728.db2.gz JRWCNWYWFSVJDY-CQSZACIVSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)[N@@H+](Cc1ccc2nccc(Cl)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236528238 1099663733 /nfs/dbraw/zinc/66/37/33/1099663733.db2.gz JRWCNWYWFSVJDY-CQSZACIVSA-N 2 2 303.837 3.461 20 0 DGADLP CC(C)Oc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccn1 ZINC001236559894 1099678511 /nfs/dbraw/zinc/67/85/11/1099678511.db2.gz AJICKJRASFWVIO-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccn1 ZINC001236559894 1099678515 /nfs/dbraw/zinc/67/85/15/1099678515.db2.gz AJICKJRASFWVIO-GOSISDBHSA-N 2 2 311.429 3.069 20 0 DGADLP CCCCc1[nH]c(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c[nH+]1 ZINC001236655536 1099725979 /nfs/dbraw/zinc/72/59/79/1099725979.db2.gz YAVISJDOIONSOX-QGZVFWFLSA-N 2 2 304.482 3.249 20 0 DGADLP CCCCc1[nH]cc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)[nH+]1 ZINC001236655536 1099725991 /nfs/dbraw/zinc/72/59/91/1099725991.db2.gz YAVISJDOIONSOX-QGZVFWFLSA-N 2 2 304.482 3.249 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+](C)CCC[NH+](C)C ZINC001236828448 1099812030 /nfs/dbraw/zinc/81/20/30/1099812030.db2.gz HJOSQQGNLWXLND-UHFFFAOYSA-N 2 2 305.285 3.203 20 0 DGADLP Cc1cc(Br)sc1C[N@H+](C)CCC[NH+](C)C ZINC001236828448 1099812040 /nfs/dbraw/zinc/81/20/40/1099812040.db2.gz HJOSQQGNLWXLND-UHFFFAOYSA-N 2 2 305.285 3.203 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236832598 1099816563 /nfs/dbraw/zinc/81/65/63/1099816563.db2.gz VVNREOPKUVYWGJ-ZVWUFJHRSA-N 2 2 315.244 3.171 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236832598 1099816584 /nfs/dbraw/zinc/81/65/84/1099816584.db2.gz VVNREOPKUVYWGJ-ZVWUFJHRSA-N 2 2 315.244 3.171 20 0 DGADLP CCC[N@@H+](Cc1ccc(F)c(Cl)c1F)C[C@H]1CC[NH2+]C1 ZINC001236842358 1099826818 /nfs/dbraw/zinc/82/68/18/1099826818.db2.gz FIUHPUJCIKLIQI-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1ccc(F)c(Cl)c1F)C[C@H]1CC[NH2+]C1 ZINC001236842358 1099826827 /nfs/dbraw/zinc/82/68/27/1099826827.db2.gz FIUHPUJCIKLIQI-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236909910 1099870101 /nfs/dbraw/zinc/87/01/01/1099870101.db2.gz ZEFPELXVBUTBRF-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@]3(CCCO3)C2)ccc1-n1cc[nH+]c1 ZINC001236909910 1099870109 /nfs/dbraw/zinc/87/01/09/1099870109.db2.gz ZEFPELXVBUTBRF-QGZVFWFLSA-N 2 2 317.820 3.281 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1O ZINC001236908932 1099870191 /nfs/dbraw/zinc/87/01/91/1099870191.db2.gz UMTVLHBYCLGKBG-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1O ZINC001236908932 1099870201 /nfs/dbraw/zinc/87/02/01/1099870201.db2.gz UMTVLHBYCLGKBG-DYVFJYSZSA-N 2 2 319.836 3.119 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001236909924 1099870891 /nfs/dbraw/zinc/87/08/91/1099870891.db2.gz XJFMKDYRLNDHSY-ZDUSSCGKSA-N 2 2 302.393 3.280 20 0 DGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001236909924 1099870902 /nfs/dbraw/zinc/87/09/02/1099870902.db2.gz XJFMKDYRLNDHSY-ZDUSSCGKSA-N 2 2 302.393 3.280 20 0 DGADLP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914029 1099874706 /nfs/dbraw/zinc/87/47/06/1099874706.db2.gz LFARXVXBRDPQMP-HNNXBMFYSA-N 2 2 318.852 3.052 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1O ZINC001236913808 1099875158 /nfs/dbraw/zinc/87/51/58/1099875158.db2.gz ODZJERGALQXAFM-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1O ZINC001236913808 1099875167 /nfs/dbraw/zinc/87/51/67/1099875167.db2.gz ODZJERGALQXAFM-SUMWQHHRSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1O ZINC001236913805 1099875241 /nfs/dbraw/zinc/87/52/41/1099875241.db2.gz ODZJERGALQXAFM-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1O ZINC001236913805 1099875248 /nfs/dbraw/zinc/87/52/48/1099875248.db2.gz ODZJERGALQXAFM-CXAGYDPISA-N 2 2 319.836 3.119 20 0 DGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001236918104 1099876255 /nfs/dbraw/zinc/87/62/55/1099876255.db2.gz XJZKJPFABUAOAK-RHSMWYFYSA-N 2 2 317.820 3.137 20 0 DGADLP OCC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915075 1099876492 /nfs/dbraw/zinc/87/64/92/1099876492.db2.gz YUZVJNUZZUSXPC-CQSZACIVSA-N 2 2 319.836 3.120 20 0 DGADLP OCC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236915075 1099876501 /nfs/dbraw/zinc/87/65/01/1099876501.db2.gz YUZVJNUZZUSXPC-CQSZACIVSA-N 2 2 319.836 3.120 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001237060163 1099950443 /nfs/dbraw/zinc/95/04/43/1099950443.db2.gz XYYNLXXWMUAUSN-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001237060163 1099950453 /nfs/dbraw/zinc/95/04/53/1099950453.db2.gz XYYNLXXWMUAUSN-CQSZACIVSA-N 2 2 320.330 3.285 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001237083191 1099961778 /nfs/dbraw/zinc/96/17/78/1099961778.db2.gz WYQHBDGTWOGAFJ-LJQANCHMSA-N 2 2 317.477 3.354 20 0 DGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001237083191 1099961785 /nfs/dbraw/zinc/96/17/85/1099961785.db2.gz WYQHBDGTWOGAFJ-LJQANCHMSA-N 2 2 317.477 3.354 20 0 DGADLP CCOc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1OC ZINC001237143299 1099991735 /nfs/dbraw/zinc/99/17/35/1099991735.db2.gz CWAJIGGFJVSLNJ-KRWDZBQOSA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1OC ZINC001237143299 1099991746 /nfs/dbraw/zinc/99/17/46/1099991746.db2.gz CWAJIGGFJVSLNJ-KRWDZBQOSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H](C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141617 1099992688 /nfs/dbraw/zinc/99/26/88/1099992688.db2.gz IZSXWTHWUQYDTC-OXJNMPFZSA-N 2 2 310.441 3.008 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141617 1099992697 /nfs/dbraw/zinc/99/26/97/1099992697.db2.gz IZSXWTHWUQYDTC-OXJNMPFZSA-N 2 2 310.441 3.008 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152101 1100001312 /nfs/dbraw/zinc/00/13/12/1100001312.db2.gz JRMJSNKVGMTQEW-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152101 1100001320 /nfs/dbraw/zinc/00/13/20/1100001320.db2.gz JRMJSNKVGMTQEW-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152101 1100001331 /nfs/dbraw/zinc/00/13/31/1100001331.db2.gz JRMJSNKVGMTQEW-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccnc4c(Cl)cccc34)C2)C1 ZINC001237152101 1100001342 /nfs/dbraw/zinc/00/13/42/1100001342.db2.gz JRMJSNKVGMTQEW-GOSISDBHSA-N 2 2 315.848 3.416 20 0 DGADLP O=c1[nH]cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001237158172 1100007875 /nfs/dbraw/zinc/00/78/75/1100007875.db2.gz YEPKUBFLCJYMBE-INIZCTEOSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001237158172 1100007886 /nfs/dbraw/zinc/00/78/86/1100007886.db2.gz YEPKUBFLCJYMBE-INIZCTEOSA-N 2 2 311.429 3.047 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccc(F)c(F)c3C)CC2)cc[nH+]1 ZINC001237167233 1100013569 /nfs/dbraw/zinc/01/35/69/1100013569.db2.gz RIMSSBLOFGNZTL-UHFFFAOYSA-N 2 2 317.383 3.299 20 0 DGADLP Fc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237275155 1100054268 /nfs/dbraw/zinc/05/42/68/1100054268.db2.gz LPHJMSGTIMUJDA-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP CC[N@H+](Cc1ccncc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001237289431 1100063420 /nfs/dbraw/zinc/06/34/20/1100063420.db2.gz DYIBZUCQLYQAEP-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[N@@H+](Cc1ccncc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001237289431 1100063431 /nfs/dbraw/zinc/06/34/31/1100063431.db2.gz DYIBZUCQLYQAEP-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP Fc1ccc(CC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237360191 1100094216 /nfs/dbraw/zinc/09/42/16/1100094216.db2.gz USRPWDQPYCSNDH-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cn2)cc1 ZINC001237389030 1100104944 /nfs/dbraw/zinc/10/49/44/1100104944.db2.gz FLTHCXUSDZBDPP-UYAOXDASSA-N 2 2 307.441 3.323 20 0 DGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cn2)cc1 ZINC001237389030 1100104950 /nfs/dbraw/zinc/10/49/50/1100104950.db2.gz FLTHCXUSDZBDPP-UYAOXDASSA-N 2 2 307.441 3.323 20 0 DGADLP Fc1ccccc1-c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237409305 1100115516 /nfs/dbraw/zinc/11/55/16/1100115516.db2.gz AHZUKIAHCLPXHL-MAUKXSAKSA-N 2 2 313.420 3.395 20 0 DGADLP Fc1ccccc1-c1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c[nH]1 ZINC001237409305 1100115522 /nfs/dbraw/zinc/11/55/22/1100115522.db2.gz AHZUKIAHCLPXHL-MAUKXSAKSA-N 2 2 313.420 3.395 20 0 DGADLP Clc1ccnc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc12 ZINC001237417624 1100121206 /nfs/dbraw/zinc/12/12/06/1100121206.db2.gz VDSMBKZIACYTMS-PBHICJAKSA-N 2 2 315.848 3.462 20 0 DGADLP Clc1ccnc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc12 ZINC001237417624 1100121212 /nfs/dbraw/zinc/12/12/12/1100121212.db2.gz VDSMBKZIACYTMS-PBHICJAKSA-N 2 2 315.848 3.462 20 0 DGADLP Clc1nccc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237418538 1100121572 /nfs/dbraw/zinc/12/15/72/1100121572.db2.gz XNIAQWFUDNOVIP-DOTOQJQBSA-N 2 2 315.848 3.462 20 0 DGADLP Clc1nccc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237418538 1100121575 /nfs/dbraw/zinc/12/15/75/1100121575.db2.gz XNIAQWFUDNOVIP-DOTOQJQBSA-N 2 2 315.848 3.462 20 0 DGADLP COCC[N@H+](Cc1cc(C)c(Cl)c(C)c1)C1CC[NH+](C)CC1 ZINC001238090709 1100356827 /nfs/dbraw/zinc/35/68/27/1100356827.db2.gz JMZSRMIOGIYYLS-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP COCC[N@@H+](Cc1cc(C)c(Cl)c(C)c1)C1CC[NH+](C)CC1 ZINC001238090709 1100356837 /nfs/dbraw/zinc/35/68/37/1100356837.db2.gz JMZSRMIOGIYYLS-UHFFFAOYSA-N 2 2 324.896 3.499 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238212602 1100394040 /nfs/dbraw/zinc/39/40/40/1100394040.db2.gz BOLBNLRKEXPMSA-GASCZTMLSA-N 2 2 313.470 3.194 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238212602 1100394045 /nfs/dbraw/zinc/39/40/45/1100394045.db2.gz BOLBNLRKEXPMSA-GASCZTMLSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238212602 1100394053 /nfs/dbraw/zinc/39/40/53/1100394053.db2.gz BOLBNLRKEXPMSA-GASCZTMLSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4cccs4)n3)C[C@@H]2C1 ZINC001238212602 1100394061 /nfs/dbraw/zinc/39/40/61/1100394061.db2.gz BOLBNLRKEXPMSA-GASCZTMLSA-N 2 2 313.470 3.194 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213758 1100394992 /nfs/dbraw/zinc/39/49/92/1100394992.db2.gz NVBFRJADRYOHFU-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213758 1100395003 /nfs/dbraw/zinc/39/50/03/1100395003.db2.gz NVBFRJADRYOHFU-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213758 1100395012 /nfs/dbraw/zinc/39/50/12/1100395012.db2.gz NVBFRJADRYOHFU-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4cccs4)n3)C2)C1 ZINC001238213758 1100395019 /nfs/dbraw/zinc/39/50/19/1100395019.db2.gz NVBFRJADRYOHFU-GOSISDBHSA-N 2 2 313.470 3.338 20 0 DGADLP Cc1cnc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001238431978 1100443240 /nfs/dbraw/zinc/44/32/40/1100443240.db2.gz JGPGOWIZHJQITI-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3SC)C[C@H]2C1 ZINC001238680247 1100499450 /nfs/dbraw/zinc/49/94/50/1100499450.db2.gz JTWFCLLLJOZVCQ-ZIAGYGMSSA-N 2 2 310.894 3.445 20 0 DGADLP CCOc1ccc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001238714411 1100509811 /nfs/dbraw/zinc/50/98/11/1100509811.db2.gz TYUZZYGFQYOOSK-UHFFFAOYSA-N 2 2 302.462 3.452 20 0 DGADLP CCOc1ccc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001238714411 1100509815 /nfs/dbraw/zinc/50/98/15/1100509815.db2.gz TYUZZYGFQYOOSK-UHFFFAOYSA-N 2 2 302.462 3.452 20 0 DGADLP CSc1ncc(C)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001238721180 1100511620 /nfs/dbraw/zinc/51/16/20/1100511620.db2.gz UFAMFBQIDSPDRG-UHFFFAOYSA-N 2 2 307.507 3.417 20 0 DGADLP CSc1ncc(C)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001238721180 1100511624 /nfs/dbraw/zinc/51/16/24/1100511624.db2.gz UFAMFBQIDSPDRG-UHFFFAOYSA-N 2 2 307.507 3.417 20 0 DGADLP C[N@@H+]1CCc2oc(-c3ccc(C4=CCC[NH2+]CC4)cc3)nc2C1 ZINC001238951893 1100561901 /nfs/dbraw/zinc/56/19/01/1100561901.db2.gz ZZRUKWXXKVJREZ-UHFFFAOYSA-N 2 2 309.413 3.096 20 0 DGADLP C[N@H+]1CCc2oc(-c3ccc(C4=CCC[NH2+]CC4)cc3)nc2C1 ZINC001238951893 1100561904 /nfs/dbraw/zinc/56/19/04/1100561904.db2.gz ZZRUKWXXKVJREZ-UHFFFAOYSA-N 2 2 309.413 3.096 20 0 DGADLP Cn1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c2ccccc21 ZINC001239542026 1100686358 /nfs/dbraw/zinc/68/63/58/1100686358.db2.gz UMIFYHAUWLKTLZ-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c2ccccc21 ZINC001239542026 1100686361 /nfs/dbraw/zinc/68/63/61/1100686361.db2.gz UMIFYHAUWLKTLZ-KRWDZBQOSA-N 2 2 305.425 3.378 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000079000489 1100755609 /nfs/dbraw/zinc/75/56/09/1100755609.db2.gz YAFIAUGWEBAWNC-KRWDZBQOSA-N 2 2 301.434 3.486 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3cnccc32)C1 ZINC001240009934 1100832081 /nfs/dbraw/zinc/83/20/81/1100832081.db2.gz BPYDZXKHMCSRPL-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3cnccc32)C1 ZINC001240009934 1100832087 /nfs/dbraw/zinc/83/20/87/1100832087.db2.gz BPYDZXKHMCSRPL-KRWDZBQOSA-N 2 2 303.409 3.435 20 0 DGADLP COC(=O)[C@@H]([NH3+])c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001240060610 1100850620 /nfs/dbraw/zinc/85/06/20/1100850620.db2.gz PSHCMZGRBCNHSB-IBGZPJMESA-N 2 2 324.424 3.122 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(-n4cccn4)c3)c2)C1 ZINC001240250698 1100910491 /nfs/dbraw/zinc/91/04/91/1100910491.db2.gz PNZIQTCKBCYXIV-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(-n4cccn4)c3)c2)C1 ZINC001240250698 1100910496 /nfs/dbraw/zinc/91/04/96/1100910496.db2.gz PNZIQTCKBCYXIV-LJQANCHMSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3ncsc3c2)C1 ZINC001240345798 1100950727 /nfs/dbraw/zinc/95/07/27/1100950727.db2.gz SRKVQEVXKBZGCL-OAHLLOKOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ncsc3c2)C1 ZINC001240345798 1100950733 /nfs/dbraw/zinc/95/07/33/1100950733.db2.gz SRKVQEVXKBZGCL-OAHLLOKOSA-N 2 2 309.438 3.496 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc(N4CCCC4)cc3)ccn12 ZINC001240590476 1101062436 /nfs/dbraw/zinc/06/24/36/1101062436.db2.gz VECQAKUPWZLREI-UHFFFAOYSA-N 2 2 318.424 3.288 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(N4CCCC4)cc3)cc2)C1 ZINC001240590994 1101064234 /nfs/dbraw/zinc/06/42/34/1101064234.db2.gz ANJOFTFMTZQXJC-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(N4CCCC4)cc3)cc2)C1 ZINC001240590994 1101064241 /nfs/dbraw/zinc/06/42/41/1101064241.db2.gz ANJOFTFMTZQXJC-FQEVSTJZSA-N 2 2 321.468 3.487 20 0 DGADLP COc1c(F)ccc(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240725206 1101109890 /nfs/dbraw/zinc/10/98/90/1101109890.db2.gz ACAVIYOBCONKFR-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)ccc(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240725206 1101109895 /nfs/dbraw/zinc/10/98/95/1101109895.db2.gz ACAVIYOBCONKFR-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP Fc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc(F)c1F ZINC001240979851 1101206784 /nfs/dbraw/zinc/20/67/84/1101206784.db2.gz HTHKQKMHIBIVKO-UHFFFAOYSA-N 2 2 303.287 3.105 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCOc3ccc4ccccc4c3)C[C@H]21 ZINC001196631487 1101354089 /nfs/dbraw/zinc/35/40/89/1101354089.db2.gz GXVZLAQNXBHOEH-PMOLBWCYSA-N 2 2 310.441 3.101 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)C[C@H]21 ZINC001196631487 1101354104 /nfs/dbraw/zinc/35/41/04/1101354104.db2.gz GXVZLAQNXBHOEH-PMOLBWCYSA-N 2 2 310.441 3.101 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001241671452 1101624595 /nfs/dbraw/zinc/62/45/95/1101624595.db2.gz WAVLRUKKOMJLGB-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2ccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc12 ZINC001241671452 1101624603 /nfs/dbraw/zinc/62/46/03/1101624603.db2.gz WAVLRUKKOMJLGB-KRWDZBQOSA-N 2 2 306.413 3.071 20 0 DGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001197739875 1101657333 /nfs/dbraw/zinc/65/73/33/1101657333.db2.gz VWFXJSCIQCTETI-CQSZACIVSA-N 2 2 306.425 3.120 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(F)cc1F ZINC001197929001 1101702058 /nfs/dbraw/zinc/70/20/58/1101702058.db2.gz BVKOCEDNLTVQBC-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(F)cc1F ZINC001197929001 1101702073 /nfs/dbraw/zinc/70/20/73/1101702073.db2.gz BVKOCEDNLTVQBC-CYBMUJFWSA-N 2 2 303.356 3.071 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC001198970472 1102038635 /nfs/dbraw/zinc/03/86/35/1102038635.db2.gz XDIIGYZGOURYDN-UHFFFAOYSA-N 2 2 300.793 3.265 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3cccc4ccncc43)ccn12 ZINC001242370699 1102084359 /nfs/dbraw/zinc/08/43/59/1102084359.db2.gz KWXITCCEMQBEHC-UHFFFAOYSA-N 2 2 300.365 3.236 20 0 DGADLP C[C@H]1CC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)C1 ZINC001199392488 1102119426 /nfs/dbraw/zinc/11/94/26/1102119426.db2.gz TUAAHFMJPIUAFA-IAGOWNOFSA-N 2 2 316.489 3.433 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001199411961 1102134705 /nfs/dbraw/zinc/13/47/05/1102134705.db2.gz DPPUDGVNCDQENO-UHFFFAOYSA-N 2 2 321.896 3.370 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(OC4CC4)c3)cc2)C1 ZINC001242806482 1102356400 /nfs/dbraw/zinc/35/64/00/1102356400.db2.gz DJBIWPTVNRZKIV-GOSISDBHSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(OC4CC4)c3)cc2)C1 ZINC001242806482 1102356412 /nfs/dbraw/zinc/35/64/12/1102356412.db2.gz DJBIWPTVNRZKIV-GOSISDBHSA-N 2 2 308.425 3.428 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccsc1Br ZINC001205912758 1102497259 /nfs/dbraw/zinc/49/72/59/1102497259.db2.gz CANXUOHMNWBVTC-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccsc1Br ZINC001205912758 1102497262 /nfs/dbraw/zinc/49/72/62/1102497262.db2.gz CANXUOHMNWBVTC-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CCc2ccccc2)C3)c1 ZINC001201598003 1102650451 /nfs/dbraw/zinc/65/04/51/1102650451.db2.gz FTIMQEJUQSHUGD-KDURUIRLSA-N 2 2 310.441 3.276 20 0 DGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CCc2ccccc2)C3)c1 ZINC001201598003 1102650460 /nfs/dbraw/zinc/65/04/60/1102650460.db2.gz FTIMQEJUQSHUGD-KDURUIRLSA-N 2 2 310.441 3.276 20 0 DGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CCc4ccccc4)C3)C2)c1 ZINC001201598003 1102650468 /nfs/dbraw/zinc/65/04/68/1102650468.db2.gz FTIMQEJUQSHUGD-KDURUIRLSA-N 2 2 310.441 3.276 20 0 DGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CCc4ccccc4)C3)C2)c1 ZINC001201598003 1102650473 /nfs/dbraw/zinc/65/04/73/1102650473.db2.gz FTIMQEJUQSHUGD-KDURUIRLSA-N 2 2 310.441 3.276 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201558668 1102651047 /nfs/dbraw/zinc/65/10/47/1102651047.db2.gz DTXJBDVWIPUSQG-HNNXBMFYSA-N 2 2 316.449 3.494 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201558668 1102651051 /nfs/dbraw/zinc/65/10/51/1102651051.db2.gz DTXJBDVWIPUSQG-HNNXBMFYSA-N 2 2 316.449 3.494 20 0 DGADLP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc(O)c(F)c2F)CC1 ZINC001243341424 1102671351 /nfs/dbraw/zinc/67/13/51/1102671351.db2.gz PMDLVTRNZUXSEZ-UHFFFAOYSA-N 2 2 318.367 3.261 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(OC(F)F)c3)cc2)C1 ZINC001243359476 1102681535 /nfs/dbraw/zinc/68/15/35/1102681535.db2.gz KQDWCPUCDAUPJO-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(OC(F)F)c3)cc2)C1 ZINC001243359476 1102681536 /nfs/dbraw/zinc/68/15/36/1102681536.db2.gz KQDWCPUCDAUPJO-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP c1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001201661882 1102690556 /nfs/dbraw/zinc/69/05/56/1102690556.db2.gz VENUHXOCZZIXCO-WOJBJXKFSA-N 2 2 321.468 3.078 20 0 DGADLP Nc1[nH+]cccc1-c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001243475348 1102744125 /nfs/dbraw/zinc/74/41/25/1102744125.db2.gz WHCRUEHSIKIDMQ-UHFFFAOYSA-N 2 2 306.413 3.450 20 0 DGADLP C[C@H](CC[NH2+]Cc1cccc2c1OCCCO2)[NH+]1CCCCC1 ZINC001201954104 1102770244 /nfs/dbraw/zinc/77/02/44/1102770244.db2.gz HTNBISHOTZVYLX-MRXNPFEDSA-N 2 2 318.461 3.202 20 0 DGADLP CSc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(C)n1 ZINC001243593765 1102837421 /nfs/dbraw/zinc/83/74/21/1102837421.db2.gz LRLNNHLHYRGPNH-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(C)n1 ZINC001243593765 1102837444 /nfs/dbraw/zinc/83/74/44/1102837444.db2.gz LRLNNHLHYRGPNH-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP Cc1cn2cc(-c3cccc(N4CC[NH+](C)CC4)c3)ccc2[nH+]1 ZINC001243670304 1102902948 /nfs/dbraw/zinc/90/29/48/1102902948.db2.gz KDOLKZYDRLUFSN-UHFFFAOYSA-N 2 2 306.413 3.062 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(Cl)cccc3CO)cc2)C1 ZINC001243713310 1102934964 /nfs/dbraw/zinc/93/49/64/1102934964.db2.gz FPZGQPYTAOPMIT-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(Cl)cccc3CO)cc2)C1 ZINC001243713310 1102934982 /nfs/dbraw/zinc/93/49/82/1102934982.db2.gz FPZGQPYTAOPMIT-INIZCTEOSA-N 2 2 316.832 3.032 20 0 DGADLP C[NH+](C)CCOc1cccc(-c2cc[nH+]c(N3CCCC3)c2)c1 ZINC001243747171 1102956037 /nfs/dbraw/zinc/95/60/37/1102956037.db2.gz ITFRQFZFDGQWCY-UHFFFAOYSA-N 2 2 311.429 3.289 20 0 DGADLP FC(F)(F)CCC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001202394269 1102982108 /nfs/dbraw/zinc/98/21/08/1102982108.db2.gz HGZZSPPDGZPUAY-CHWSQXEVSA-N 2 2 318.408 3.454 20 0 DGADLP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001488754804 1103142434 /nfs/dbraw/zinc/14/24/34/1103142434.db2.gz RFPJOMGTUCJMGC-AFAVFJNCSA-N 2 2 317.477 3.151 20 0 DGADLP CCOC(=O)c1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244025205 1103147554 /nfs/dbraw/zinc/14/75/54/1103147554.db2.gz FNKAMHUVZFEQLZ-KRWDZBQOSA-N 2 2 324.424 3.063 20 0 DGADLP CCOC(=O)c1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244025205 1103147561 /nfs/dbraw/zinc/14/75/61/1103147561.db2.gz FNKAMHUVZFEQLZ-KRWDZBQOSA-N 2 2 324.424 3.063 20 0 DGADLP Cc1nn(C)c2cc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)ccc12 ZINC001244232761 1103298674 /nfs/dbraw/zinc/29/86/74/1103298674.db2.gz UJYZSPIYNGWGSV-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1nn(C)c2cc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)ccc12 ZINC001244232761 1103298688 /nfs/dbraw/zinc/29/86/88/1103298688.db2.gz UJYZSPIYNGWGSV-SFHVURJKSA-N 2 2 320.440 3.082 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001326506194 1103345863 /nfs/dbraw/zinc/34/58/63/1103345863.db2.gz PKSCHFMKINYIPM-GJZGRUSLSA-N 2 2 310.401 3.341 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244587192 1103543167 /nfs/dbraw/zinc/54/31/67/1103543167.db2.gz XQDDECSCJRCOLT-OAHLLOKOSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244587192 1103543175 /nfs/dbraw/zinc/54/31/75/1103543175.db2.gz XQDDECSCJRCOLT-OAHLLOKOSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244587214 1103543422 /nfs/dbraw/zinc/54/34/22/1103543422.db2.gz YTBAANCYKYEOKJ-HNNXBMFYSA-N 2 2 315.848 3.431 20 0 DGADLP Cc1cc(Cl)c(N)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244587214 1103543430 /nfs/dbraw/zinc/54/34/30/1103543430.db2.gz YTBAANCYKYEOKJ-HNNXBMFYSA-N 2 2 315.848 3.431 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244798846 1103692673 /nfs/dbraw/zinc/69/26/73/1103692673.db2.gz JNENJOXXVCAXPP-KRWDZBQOSA-N 2 2 313.420 3.092 20 0 DGADLP CN(C)c1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244798846 1103692677 /nfs/dbraw/zinc/69/26/77/1103692677.db2.gz JNENJOXXVCAXPP-KRWDZBQOSA-N 2 2 313.420 3.092 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC001327686662 1103707380 /nfs/dbraw/zinc/70/73/80/1103707380.db2.gz BXFYWFWCZFBXPK-AWEZNQCLSA-N 2 2 321.428 3.010 20 0 DGADLP Cc1c(F)ccc(F)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244985749 1103792201 /nfs/dbraw/zinc/79/22/01/1103792201.db2.gz SFFUEJXBBYCUNR-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)ccc(F)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244985749 1103792212 /nfs/dbraw/zinc/79/22/12/1103792212.db2.gz SFFUEJXBBYCUNR-HNNXBMFYSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(C3CC3)no2)[nH+]1 ZINC001328395023 1103932489 /nfs/dbraw/zinc/93/24/89/1103932489.db2.gz UFOONZYPJVKLME-OAHLLOKOSA-N 2 2 312.417 3.332 20 0 DGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(C3CC3)no2)[nH+]1 ZINC001328395023 1103932494 /nfs/dbraw/zinc/93/24/94/1103932494.db2.gz UFOONZYPJVKLME-OAHLLOKOSA-N 2 2 312.417 3.332 20 0 DGADLP Cc1noc2ccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001245280690 1103959594 /nfs/dbraw/zinc/95/95/94/1103959594.db2.gz CJQHTPPZLJCNPL-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP Cc1noc2ccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc12 ZINC001245280690 1103959598 /nfs/dbraw/zinc/95/95/98/1103959598.db2.gz CJQHTPPZLJCNPL-QGZVFWFLSA-N 2 2 307.397 3.336 20 0 DGADLP c1cn(Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)nc2)c[nH+]1 ZINC001245349209 1103997486 /nfs/dbraw/zinc/99/74/86/1103997486.db2.gz SNZWWEPDLBPRNM-GOSISDBHSA-N 2 2 304.397 3.418 20 0 DGADLP c1cc(-c2c[nH+]c3c(c2)CCCN3)ccc1COC1CC[NH2+]CC1 ZINC001245408933 1104035414 /nfs/dbraw/zinc/03/54/14/1104035414.db2.gz FXIRYTMYDHZOKE-UHFFFAOYSA-N 2 2 323.440 3.018 20 0 DGADLP COc1ccc2[nH]c(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc2c1 ZINC001245599254 1104144232 /nfs/dbraw/zinc/14/42/32/1104144232.db2.gz WYKVGWWGHFDZCE-MRXNPFEDSA-N 2 2 321.424 3.377 20 0 DGADLP COc1ccc2[nH]c(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc2c1 ZINC001245599254 1104144235 /nfs/dbraw/zinc/14/42/35/1104144235.db2.gz WYKVGWWGHFDZCE-MRXNPFEDSA-N 2 2 321.424 3.377 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)cn1 ZINC001329113079 1104159252 /nfs/dbraw/zinc/15/92/52/1104159252.db2.gz ITVOQAITLIVFMV-WOJBJXKFSA-N 2 2 324.472 3.194 20 0 DGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cn1 ZINC001329113079 1104159254 /nfs/dbraw/zinc/15/92/54/1104159254.db2.gz ITVOQAITLIVFMV-WOJBJXKFSA-N 2 2 324.472 3.194 20 0 DGADLP CCCCC[C@H](O)C[NH2+]C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001246001607 1104351301 /nfs/dbraw/zinc/35/13/01/1104351301.db2.gz CCSBWEUPODNJKN-HNNXBMFYSA-N 2 2 324.896 3.450 20 0 DGADLP C[N@H+](Cc1sc2ccccc2c1Cl)C[C@]1(O)CCC[NH2+]C1 ZINC001246045049 1104357624 /nfs/dbraw/zinc/35/76/24/1104357624.db2.gz IHBHZKFVBRSIOR-INIZCTEOSA-N 2 2 324.877 3.101 20 0 DGADLP C[N@@H+](Cc1sc2ccccc2c1Cl)C[C@]1(O)CCC[NH2+]C1 ZINC001246045049 1104357636 /nfs/dbraw/zinc/35/76/36/1104357636.db2.gz IHBHZKFVBRSIOR-INIZCTEOSA-N 2 2 324.877 3.101 20 0 DGADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC[NH2+]1 ZINC001246077877 1104371881 /nfs/dbraw/zinc/37/18/81/1104371881.db2.gz XFOIJFJAGMMHHK-QWHCGFSZSA-N 2 2 320.330 3.345 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246076012 1104372145 /nfs/dbraw/zinc/37/21/45/1104372145.db2.gz MSNYIBANOOPJCH-DLBZAZTESA-N 2 2 312.413 3.026 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC[NH2+]1 ZINC001246077879 1104372581 /nfs/dbraw/zinc/37/25/81/1104372581.db2.gz XFOIJFJAGMMHHK-STQMWFEESA-N 2 2 320.330 3.345 20 0 DGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246092094 1104379824 /nfs/dbraw/zinc/37/98/24/1104379824.db2.gz HXZVCZLRDSUCSD-KCPJHIHWSA-N 2 2 317.235 3.140 20 0 DGADLP CC(C)([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC001246175229 1104420573 /nfs/dbraw/zinc/42/05/73/1104420573.db2.gz IRXMMHSEXBJOFX-AWEZNQCLSA-N 2 2 311.267 3.416 20 0 DGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]1 ZINC001246168284 1104415667 /nfs/dbraw/zinc/41/56/67/1104415667.db2.gz JMXACURIQRUCIU-MSOLQXFVSA-N 3 2 312.461 3.273 20 0 DGADLP C[N@@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955866 1104438776 /nfs/dbraw/zinc/43/87/76/1104438776.db2.gz CTJRZSBZMZYXSW-QYZOEREBSA-N 2 2 319.468 3.035 20 0 DGADLP C[N@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955866 1104438779 /nfs/dbraw/zinc/43/87/79/1104438779.db2.gz CTJRZSBZMZYXSW-QYZOEREBSA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955866 1104438784 /nfs/dbraw/zinc/43/87/84/1104438784.db2.gz CTJRZSBZMZYXSW-QYZOEREBSA-N 2 2 319.468 3.035 20 0 DGADLP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC001329955866 1104438789 /nfs/dbraw/zinc/43/87/89/1104438789.db2.gz CTJRZSBZMZYXSW-QYZOEREBSA-N 2 2 319.468 3.035 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246221241 1104443159 /nfs/dbraw/zinc/44/31/59/1104443159.db2.gz JSJQDXVCMFZSFL-NEPJUHHUSA-N 2 2 320.330 3.345 20 0 DGADLP C[C@@H]1CC([NH2+]Cc2cc(OC(F)(F)F)ccc2F)C[C@@H](C)[NH2+]1 ZINC001246222911 1104445110 /nfs/dbraw/zinc/44/51/10/1104445110.db2.gz OUVBSDLRFBFRMK-NXEZZACHSA-N 2 2 320.330 3.343 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(OC)c2F)C[C@H](CC)[NH2+]1 ZINC001246224823 1104446615 /nfs/dbraw/zinc/44/66/15/1104446615.db2.gz JFPUFVQRFKSTFK-WDNDVIMCSA-N 2 2 312.404 3.372 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC001246226387 1104447500 /nfs/dbraw/zinc/44/75/00/1104447500.db2.gz BPAWTTWHAFNDDG-JGPRNRPPSA-N 2 2 304.331 3.463 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(O)(c1ccccc1)c1ccccc1 ZINC001246253536 1104460471 /nfs/dbraw/zinc/46/04/71/1104460471.db2.gz ZFFFCYBUJIYJOO-MBOZVWFJSA-N 2 2 324.468 3.041 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C(C)(C)c2ccccc2Br)CC[NH2+]1 ZINC001246253484 1104461107 /nfs/dbraw/zinc/46/11/07/1104461107.db2.gz MMHNPNRKVAMQIJ-VXGBXAGGSA-N 2 2 311.267 3.414 20 0 DGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001246277684 1104470856 /nfs/dbraw/zinc/47/08/56/1104470856.db2.gz AJQHZJJSPAJDQP-QAPCUYQASA-N 2 2 302.368 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)C[NH2+]1 ZINC001246285148 1104473812 /nfs/dbraw/zinc/47/38/12/1104473812.db2.gz GIMMDZKJDWSAIF-IQCLKLAJSA-N 2 2 308.425 3.255 20 0 DGADLP CSC1CC([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000718020586 1104480092 /nfs/dbraw/zinc/48/00/92/1104480092.db2.gz BJKCHZQALXXFSN-DAWZGUTISA-N 2 2 304.503 3.381 20 0 DGADLP CSC1CC([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000718020586 1104480095 /nfs/dbraw/zinc/48/00/95/1104480095.db2.gz BJKCHZQALXXFSN-DAWZGUTISA-N 2 2 304.503 3.381 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]C(C)(C)c2cccc(Br)c2)C[NH2+]1 ZINC001246327345 1104490976 /nfs/dbraw/zinc/49/09/76/1104490976.db2.gz MIDPIKNFRHNNIP-FZMZJTMJSA-N 2 2 311.267 3.414 20 0 DGADLP c1ccc2c(c1)CCC21CCC([NH2+]C[C@@H]2CSCC[NH2+]2)CC1 ZINC001246337422 1104497710 /nfs/dbraw/zinc/49/77/10/1104497710.db2.gz SRONZJQPLLYTSF-TVRKMHQQSA-N 2 2 316.514 3.108 20 0 DGADLP COc1ccccc1C1([NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC001246359965 1104507943 /nfs/dbraw/zinc/50/79/43/1104507943.db2.gz DFKIKMFDVSZNOQ-RHSMWYFYSA-N 2 2 302.462 3.441 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cc1Br ZINC001246379101 1104517407 /nfs/dbraw/zinc/51/74/07/1104517407.db2.gz LILIOKSAFHCDTN-JBLDHEPKSA-N 2 2 315.230 3.379 20 0 DGADLP CC[C@@H]1CC([NH2+][C@@H]2COc3c2cccc3OC)C[C@@H](CC)[NH2+]1 ZINC001246516228 1104573678 /nfs/dbraw/zinc/57/36/78/1104573678.db2.gz UVYPGIQJRVWRCM-XJKCOSOUSA-N 2 2 304.434 3.028 20 0 DGADLP COC(=O)c1ccc([C@H]([NH3+])C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC001246528818 1104579829 /nfs/dbraw/zinc/57/98/29/1104579829.db2.gz YSXXKZUVNGQFMJ-RRQGHBQHSA-N 2 2 318.461 3.277 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246541073 1104585896 /nfs/dbraw/zinc/58/58/96/1104585896.db2.gz LMEKPVSWBGGTNB-RTBURBONSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@H]([NH+]2CCC[C@@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001246541073 1104585911 /nfs/dbraw/zinc/58/59/11/1104585911.db2.gz LMEKPVSWBGGTNB-RTBURBONSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541073 1104585919 /nfs/dbraw/zinc/58/59/19/1104585919.db2.gz LMEKPVSWBGGTNB-RTBURBONSA-N 3 2 315.505 3.243 20 0 DGADLP CC1(C)C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001246541073 1104585931 /nfs/dbraw/zinc/58/59/31/1104585931.db2.gz LMEKPVSWBGGTNB-RTBURBONSA-N 3 2 315.505 3.243 20 0 DGADLP CC(C)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054704 1104594102 /nfs/dbraw/zinc/59/41/02/1104594102.db2.gz GHMRSMVQXLAGNT-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054704 1104594108 /nfs/dbraw/zinc/59/41/08/1104594108.db2.gz GHMRSMVQXLAGNT-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054704 1104594113 /nfs/dbraw/zinc/59/41/13/1104594113.db2.gz GHMRSMVQXLAGNT-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275054704 1104594117 /nfs/dbraw/zinc/59/41/17/1104594117.db2.gz GHMRSMVQXLAGNT-LJQANCHMSA-N 2 2 317.477 3.121 20 0 DGADLP Cc1cccc2c1cc[nH+]c2NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330620834 1104595136 /nfs/dbraw/zinc/59/51/36/1104595136.db2.gz HCAOLNDCAAJKPC-INIZCTEOSA-N 2 2 311.429 3.208 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CCCC[C@@H]([NH3+])C1)CC2 ZINC001246558711 1104595186 /nfs/dbraw/zinc/59/51/86/1104595186.db2.gz MKNKITSNHSQNJD-OLZOCXBDSA-N 2 2 308.853 3.019 20 0 DGADLP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCCC[C@@H]([NH3+])C1)CC2 ZINC001246558711 1104595192 /nfs/dbraw/zinc/59/51/92/1104595192.db2.gz MKNKITSNHSQNJD-OLZOCXBDSA-N 2 2 308.853 3.019 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246574243 1104601709 /nfs/dbraw/zinc/60/17/09/1104601709.db2.gz FVZOSBGCIQFVSE-CRAIPNDOSA-N 2 2 308.441 3.169 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246574243 1104601714 /nfs/dbraw/zinc/60/17/14/1104601714.db2.gz FVZOSBGCIQFVSE-CRAIPNDOSA-N 2 2 308.441 3.169 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575174 1104602005 /nfs/dbraw/zinc/60/20/05/1104602005.db2.gz WDJZXQOIAIHIJK-BXUZGUMPSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575174 1104602009 /nfs/dbraw/zinc/60/20/09/1104602009.db2.gz WDJZXQOIAIHIJK-BXUZGUMPSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575178 1104602279 /nfs/dbraw/zinc/60/22/79/1104602279.db2.gz WDJZXQOIAIHIJK-RISCZKNCSA-N 2 2 313.272 3.392 20 0 DGADLP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246575178 1104602284 /nfs/dbraw/zinc/60/22/84/1104602284.db2.gz WDJZXQOIAIHIJK-RISCZKNCSA-N 2 2 313.272 3.392 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582382 1104606563 /nfs/dbraw/zinc/60/65/63/1104606563.db2.gz RWWXVKWRBZBNDR-IAGOWNOFSA-N 2 2 310.844 3.350 20 0 DGADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582382 1104606566 /nfs/dbraw/zinc/60/65/66/1104606566.db2.gz RWWXVKWRBZBNDR-IAGOWNOFSA-N 2 2 310.844 3.350 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nc1Cl ZINC001330655729 1104608657 /nfs/dbraw/zinc/60/86/57/1104608657.db2.gz QZRVGZRZDULLBW-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)nc1Cl ZINC001330655729 1104608664 /nfs/dbraw/zinc/60/86/64/1104608664.db2.gz QZRVGZRZDULLBW-CQSZACIVSA-N 2 2 318.852 3.232 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001275077400 1104615022 /nfs/dbraw/zinc/61/50/22/1104615022.db2.gz TWVZHFGXQUNPNK-GOSISDBHSA-N 2 2 318.509 3.107 20 0 DGADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275077400 1104615026 /nfs/dbraw/zinc/61/50/26/1104615026.db2.gz TWVZHFGXQUNPNK-GOSISDBHSA-N 2 2 318.509 3.107 20 0 DGADLP CC(C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096418 1104622357 /nfs/dbraw/zinc/62/23/57/1104622357.db2.gz HYZIKBMUUPGWEQ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096418 1104622361 /nfs/dbraw/zinc/62/23/61/1104622361.db2.gz HYZIKBMUUPGWEQ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096418 1104622367 /nfs/dbraw/zinc/62/23/67/1104622367.db2.gz HYZIKBMUUPGWEQ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP CC(C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275096418 1104622372 /nfs/dbraw/zinc/62/23/72/1104622372.db2.gz HYZIKBMUUPGWEQ-IBGZPJMESA-N 2 2 317.477 3.121 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CC2 ZINC001246606733 1104622530 /nfs/dbraw/zinc/62/25/30/1104622530.db2.gz BLLLGKGXUMNQLL-INIZCTEOSA-N 2 2 320.427 3.430 20 0 DGADLP CCn1ccnc1C[NH2+][C@@]12CC[C@@]([NH2+]CCC(C)C)(C1)CCC2 ZINC001275096397 1104622770 /nfs/dbraw/zinc/62/27/70/1104622770.db2.gz HCDLIHGAXBRUFU-MOPGFXCFSA-N 2 2 318.509 3.474 20 0 DGADLP Fc1cccc2c1CC[C@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246614215 1104628415 /nfs/dbraw/zinc/62/84/15/1104628415.db2.gz MZOYQBKXCPNHFE-QFBILLFUSA-N 2 2 302.437 3.291 20 0 DGADLP Fc1cccc2c1CC[C@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246614215 1104628420 /nfs/dbraw/zinc/62/84/20/1104628420.db2.gz MZOYQBKXCPNHFE-QFBILLFUSA-N 2 2 302.437 3.291 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613621 1104628814 /nfs/dbraw/zinc/62/88/14/1104628814.db2.gz JYIMVQMTUUVAQO-BBRMVZONSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246613621 1104628815 /nfs/dbraw/zinc/62/88/15/1104628815.db2.gz JYIMVQMTUUVAQO-BBRMVZONSA-N 2 2 312.379 3.464 20 0 DGADLP CC1(C)CC([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)CC(C)(C)O1 ZINC001246620127 1104631305 /nfs/dbraw/zinc/63/13/05/1104631305.db2.gz PZLQBSDEPKJRHX-ROUUACIJSA-N 2 2 314.473 3.294 20 0 DGADLP CC1(C)CC([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)CC(C)(C)O1 ZINC001246620127 1104631306 /nfs/dbraw/zinc/63/13/06/1104631306.db2.gz PZLQBSDEPKJRHX-ROUUACIJSA-N 2 2 314.473 3.294 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621790 1104633329 /nfs/dbraw/zinc/63/33/29/1104633329.db2.gz QADVJACLTXZNOR-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)C1)CC2 ZINC001246621790 1104633333 /nfs/dbraw/zinc/63/33/33/1104633333.db2.gz QADVJACLTXZNOR-QAPCUYQASA-N 2 2 306.400 3.040 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)C2 ZINC001246626807 1104633908 /nfs/dbraw/zinc/63/39/08/1104633908.db2.gz IHXUUAPGEOGBEA-KCXAZCMYSA-N 2 2 311.256 3.287 20 0 DGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@@H]31)C2 ZINC001246626807 1104633915 /nfs/dbraw/zinc/63/39/15/1104633915.db2.gz IHXUUAPGEOGBEA-KCXAZCMYSA-N 2 2 311.256 3.287 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246652410 1104648801 /nfs/dbraw/zinc/64/88/01/1104648801.db2.gz OOSROCIAOAHTNL-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([N@H+]1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246652410 1104648807 /nfs/dbraw/zinc/64/88/07/1104648807.db2.gz OOSROCIAOAHTNL-APWZRJJASA-N 2 2 320.427 3.430 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654733 1104650568 /nfs/dbraw/zinc/65/05/68/1104650568.db2.gz KWVIKBRWLFTXKO-JKIFEVAISA-N 2 2 308.491 3.493 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654733 1104650573 /nfs/dbraw/zinc/65/05/73/1104650573.db2.gz KWVIKBRWLFTXKO-JKIFEVAISA-N 2 2 308.491 3.493 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657221 1104651005 /nfs/dbraw/zinc/65/10/05/1104651005.db2.gz GPCVSCNDSNQIMC-IVMMDQJWSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H](Cc1cccc(Br)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246657221 1104651010 /nfs/dbraw/zinc/65/10/10/1104651010.db2.gz GPCVSCNDSNQIMC-IVMMDQJWSA-N 2 2 323.278 3.064 20 0 DGADLP Fc1cccc2c1CC[C@H]([N@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246663935 1104654571 /nfs/dbraw/zinc/65/45/71/1104654571.db2.gz NPPYUHFAEPSOOM-NBHGPNQESA-N 2 2 322.427 3.254 20 0 DGADLP Fc1cccc2c1CC[C@H]([N@@H+]1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C2 ZINC001246663935 1104654574 /nfs/dbraw/zinc/65/45/74/1104654574.db2.gz NPPYUHFAEPSOOM-NBHGPNQESA-N 2 2 322.427 3.254 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@@H+]([C@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712423 1104665417 /nfs/dbraw/zinc/66/54/17/1104665417.db2.gz AEXVWOQZCZTFDI-SLFFLAALSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+]([C@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712423 1104665422 /nfs/dbraw/zinc/66/54/22/1104665422.db2.gz AEXVWOQZCZTFDI-SLFFLAALSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@@H+]([C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712426 1104665946 /nfs/dbraw/zinc/66/59/46/1104665946.db2.gz AEXVWOQZCZTFDI-XUVXKRRUSA-N 2 2 314.473 3.167 20 0 DGADLP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+]([C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC001246712426 1104665953 /nfs/dbraw/zinc/66/59/53/1104665953.db2.gz AEXVWOQZCZTFDI-XUVXKRRUSA-N 2 2 314.473 3.167 20 0 DGADLP FC(F)(F)c1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246797366 1104681003 /nfs/dbraw/zinc/68/10/03/1104681003.db2.gz OIPZAQZLAWNLDT-XYPWUTKMSA-N 2 2 310.363 3.347 20 0 DGADLP FC(F)(F)c1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246797366 1104681008 /nfs/dbraw/zinc/68/10/08/1104681008.db2.gz OIPZAQZLAWNLDT-XYPWUTKMSA-N 2 2 310.363 3.347 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@H](CC)[NH2+]1 ZINC001246811611 1104685844 /nfs/dbraw/zinc/68/58/44/1104685844.db2.gz QHUKOIQQCDWFJO-ZSHCYNCHSA-N 2 2 316.445 3.098 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2Cc3cccc(C(=O)OC)c3C2)C[C@H](CC)[NH2+]1 ZINC001246811611 1104685848 /nfs/dbraw/zinc/68/58/48/1104685848.db2.gz QHUKOIQQCDWFJO-ZSHCYNCHSA-N 2 2 316.445 3.098 20 0 DGADLP C[C@H]1C[C@H]([NH+]2CCC(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC001246822536 1104691642 /nfs/dbraw/zinc/69/16/42/1104691642.db2.gz BPYLLRWLNIPOIR-JSGCOSHPSA-N 2 2 310.844 3.484 20 0 DGADLP CC1(C)C[C@@H]([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841667 1104700681 /nfs/dbraw/zinc/70/06/81/1104700681.db2.gz DCVSDTACCXZCJI-FUHWJXTLSA-N 2 2 322.880 3.418 20 0 DGADLP CC1(C)C[C@@H]([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246841667 1104700686 /nfs/dbraw/zinc/70/06/86/1104700686.db2.gz DCVSDTACCXZCJI-FUHWJXTLSA-N 2 2 322.880 3.418 20 0 DGADLP Cc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275281104 1104704797 /nfs/dbraw/zinc/70/47/97/1104704797.db2.gz NBIPJVQDEGWHMH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275281104 1104704805 /nfs/dbraw/zinc/70/48/05/1104704805.db2.gz NBIPJVQDEGWHMH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275281104 1104704815 /nfs/dbraw/zinc/70/48/15/1104704815.db2.gz NBIPJVQDEGWHMH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP Cc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275281104 1104704825 /nfs/dbraw/zinc/70/48/25/1104704825.db2.gz NBIPJVQDEGWHMH-HXUWFJFHSA-N 2 2 324.472 3.206 20 0 DGADLP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001246853775 1104708931 /nfs/dbraw/zinc/70/89/31/1104708931.db2.gz SVNCLWNRAAXPLC-GFCCVEGCSA-N 2 2 316.276 3.113 20 0 DGADLP C[C@H]1CC[C@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246863672 1104710542 /nfs/dbraw/zinc/71/05/42/1104710542.db2.gz MWRFIGXMENYXSU-YOEHRIQHSA-N 2 2 306.425 3.057 20 0 DGADLP CC1(C)C[NH+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC(C)(C)O1 ZINC001246898695 1104726893 /nfs/dbraw/zinc/72/68/93/1104726893.db2.gz ZRVYXCVIIIJJPR-IAGOWNOFSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCOC[C@H]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246913333 1104736134 /nfs/dbraw/zinc/73/61/34/1104736134.db2.gz IIGNJOFIGVGCSM-FUMNGEBKSA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCOC[C@H]2Cc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246913333 1104736142 /nfs/dbraw/zinc/73/61/42/1104736142.db2.gz IIGNJOFIGVGCSM-FUMNGEBKSA-N 2 2 316.489 3.239 20 0 DGADLP CCOCC[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246937040 1104744169 /nfs/dbraw/zinc/74/41/69/1104744169.db2.gz OTTQUEDYAMMDFN-MAUKXSAKSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246937040 1104744174 /nfs/dbraw/zinc/74/41/74/1104744174.db2.gz OTTQUEDYAMMDFN-MAUKXSAKSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246937042 1104744393 /nfs/dbraw/zinc/74/43/93/1104744393.db2.gz OTTQUEDYAMMDFN-YJBOKZPZSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246937042 1104744398 /nfs/dbraw/zinc/74/43/98/1104744398.db2.gz OTTQUEDYAMMDFN-YJBOKZPZSA-N 2 2 308.441 3.195 20 0 DGADLP C[C@H]1C[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246958197 1104752565 /nfs/dbraw/zinc/75/25/65/1104752565.db2.gz CBGUDGOCGQVING-OGWHTMIXSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001246958197 1104752570 /nfs/dbraw/zinc/75/25/70/1104752570.db2.gz CBGUDGOCGQVING-OGWHTMIXSA-N 2 2 301.478 3.460 20 0 DGADLP Cn1cc(-c2ccc(C3CC[NH+]([C@H]4CCC[NH2+]C4)CC3)cc2)cn1 ZINC001246987439 1104764217 /nfs/dbraw/zinc/76/42/17/1104764217.db2.gz GWXPBODNMCBUOV-FQEVSTJZSA-N 2 2 324.472 3.019 20 0 DGADLP C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246993958 1104767395 /nfs/dbraw/zinc/76/73/95/1104767395.db2.gz NTHMZWYEJUWSRA-ZBFHGGJFSA-N 2 2 304.434 3.014 20 0 DGADLP C[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246993958 1104767400 /nfs/dbraw/zinc/76/74/00/1104767400.db2.gz NTHMZWYEJUWSRA-ZBFHGGJFSA-N 2 2 304.434 3.014 20 0 DGADLP CC[C@H]1CC([N@H+](C)Cc2cccc3c2OCO3)C[C@H](CC)[NH2+]1 ZINC001246996721 1104769006 /nfs/dbraw/zinc/76/90/06/1104769006.db2.gz ZKGIFRZXBIVQOE-GJZGRUSLSA-N 2 2 304.434 3.156 20 0 DGADLP CC[C@H]1CC([N@@H+](C)Cc2cccc3c2OCO3)C[C@H](CC)[NH2+]1 ZINC001246996721 1104769012 /nfs/dbraw/zinc/76/90/12/1104769012.db2.gz ZKGIFRZXBIVQOE-GJZGRUSLSA-N 2 2 304.434 3.156 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001429 1104771624 /nfs/dbraw/zinc/77/16/24/1104771624.db2.gz IPNSPWYXRLMQQB-OBJOEFQTSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@H]1C[C@@H]([N@H+]2Cc3c(Br)cccc3C[C@@H]2C)CC[NH2+]1 ZINC001247001429 1104771628 /nfs/dbraw/zinc/77/16/28/1104771628.db2.gz IPNSPWYXRLMQQB-OBJOEFQTSA-N 2 2 323.278 3.336 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001247004123 1104773327 /nfs/dbraw/zinc/77/33/27/1104773327.db2.gz PFKRNRYKCAEAFX-LRDDRELGSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001247004123 1104773334 /nfs/dbraw/zinc/77/33/34/1104773334.db2.gz PFKRNRYKCAEAFX-LRDDRELGSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247007568 1104773687 /nfs/dbraw/zinc/77/36/87/1104773687.db2.gz YJXCJIFVVDRMLF-CRAIPNDOSA-N 2 2 319.468 3.035 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001247009545 1104775951 /nfs/dbraw/zinc/77/59/51/1104775951.db2.gz RPLUDZGSWFCHRZ-MSOLQXFVSA-N 2 2 316.445 3.142 20 0 DGADLP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001247009545 1104775954 /nfs/dbraw/zinc/77/59/54/1104775954.db2.gz RPLUDZGSWFCHRZ-MSOLQXFVSA-N 2 2 316.445 3.142 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247013642 1104777782 /nfs/dbraw/zinc/77/77/82/1104777782.db2.gz HDFWGCCSPCOGQO-ZENOOKHLSA-N 2 2 324.390 3.035 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247013642 1104777786 /nfs/dbraw/zinc/77/77/86/1104777786.db2.gz HDFWGCCSPCOGQO-ZENOOKHLSA-N 2 2 324.390 3.035 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247013641 1104778171 /nfs/dbraw/zinc/77/81/71/1104778171.db2.gz HDFWGCCSPCOGQO-XJKCOSOUSA-N 2 2 324.390 3.035 20 0 DGADLP Fc1cc2c(c(F)c1F)C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247013641 1104778176 /nfs/dbraw/zinc/77/81/76/1104778176.db2.gz HDFWGCCSPCOGQO-XJKCOSOUSA-N 2 2 324.390 3.035 20 0 DGADLP c1cc2c(nccc2C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001275786217 1104907273 /nfs/dbraw/zinc/90/72/73/1104907273.db2.gz FKIGBPRZYSXIDH-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1cc2c(nccc2C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)[nH]1 ZINC001275786217 1104907276 /nfs/dbraw/zinc/90/72/76/1104907276.db2.gz FKIGBPRZYSXIDH-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP C[NH2+][C@@H](CC(C)C)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247629632 1104942467 /nfs/dbraw/zinc/94/24/67/1104942467.db2.gz MEQIBGVOQCMERJ-HNNXBMFYSA-N 2 2 311.389 3.229 20 0 DGADLP c1cn(-c2ccc(-c3noc([C@H]4[NH2+]C5CCC4CC5)n3)cc2)c[nH+]1 ZINC001247634344 1104945687 /nfs/dbraw/zinc/94/56/87/1104945687.db2.gz JKKHGDMQPFYDRR-PXCJXSSVSA-N 2 2 321.384 3.125 20 0 DGADLP CC1(C)C[NH2+][C@@](C)(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001247786391 1104982679 /nfs/dbraw/zinc/98/26/79/1104982679.db2.gz SKMWZJUVFJKTHB-GOSISDBHSA-N 2 2 323.400 3.157 20 0 DGADLP C[C@H]1C[C@H]1C[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001276032463 1104992730 /nfs/dbraw/zinc/99/27/30/1104992730.db2.gz NPPBDYFQCAJONT-HOTGVXAUSA-N 2 2 324.472 3.117 20 0 DGADLP c1[nH]c2cc[nH+]cc2c1CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276129856 1105025161 /nfs/dbraw/zinc/02/51/61/1105025161.db2.gz UNGXHPMKVRROOS-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248273178 1105083639 /nfs/dbraw/zinc/08/36/39/1105083639.db2.gz JNPZLGVMFNJMLP-OAHLLOKOSA-N 2 2 323.400 3.122 20 0 DGADLP CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001248273178 1105083647 /nfs/dbraw/zinc/08/36/47/1105083647.db2.gz JNPZLGVMFNJMLP-OAHLLOKOSA-N 2 2 323.400 3.122 20 0 DGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3c4ccoc4ccc3F)C[C@@H]2C1 ZINC001248545777 1105125575 /nfs/dbraw/zinc/12/55/75/1105125575.db2.gz ORKUEUUBZFKVNP-KBPBESRZSA-N 2 2 302.393 3.346 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C)cc1C(F)(F)F ZINC001249515885 1105303548 /nfs/dbraw/zinc/30/35/48/1105303548.db2.gz USFLXLOCLXGBSM-UHFFFAOYSA-N 2 2 303.372 3.182 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C)cc1C(F)(F)F ZINC001249515885 1105303554 /nfs/dbraw/zinc/30/35/54/1105303554.db2.gz USFLXLOCLXGBSM-UHFFFAOYSA-N 2 2 303.372 3.182 20 0 DGADLP COc1ccc2[nH+]c(N)n(-c3cc[nH+]cc3C(F)(F)F)c2c1 ZINC001249584810 1105322866 /nfs/dbraw/zinc/32/28/66/1105322866.db2.gz XWUKJARDWHPEBI-UHFFFAOYSA-N 2 2 308.263 3.030 20 0 DGADLP Cc1cc(Nc2c[nH+]c3ccc(Br)cn23)c[nH+]c1N ZINC001249781669 1105380385 /nfs/dbraw/zinc/38/03/85/1105380385.db2.gz JYHFOLFAIWEZKO-UHFFFAOYSA-N 2 2 318.178 3.126 20 0 DGADLP COc1cc(F)c(C)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001250113618 1105444877 /nfs/dbraw/zinc/44/48/77/1105444877.db2.gz QAEKRFPNTKMSPA-UHFFFAOYSA-N 2 2 303.381 3.176 20 0 DGADLP CC(C)Oc1cc(F)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(F)c1 ZINC001250147268 1105454022 /nfs/dbraw/zinc/45/40/22/1105454022.db2.gz HWJAAEJELKEYLV-UHFFFAOYSA-N 2 2 324.415 3.280 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3OCC)C[C@H]2C1 ZINC001250186306 1105464258 /nfs/dbraw/zinc/46/42/58/1105464258.db2.gz GVXHOYGTFVWTHF-QZTJIDSGSA-N 2 2 302.462 3.167 20 0 DGADLP Cc1cc(-c2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)ccc1F ZINC001250501348 1105525610 /nfs/dbraw/zinc/52/56/10/1105525610.db2.gz OFZROEVEEQVZER-UHFFFAOYSA-N 2 2 324.403 3.429 20 0 DGADLP CCOc1cc2[nH]c(C3CC[NH+](C)CC3)[nH+]c2cc1OCC ZINC001250549803 1105535412 /nfs/dbraw/zinc/53/54/12/1105535412.db2.gz GAURKHPAYYBEPP-UHFFFAOYSA-N 2 2 303.406 3.170 20 0 DGADLP CC[NH+]1CCC(c2nc3cc(-n4cc[nH+]c4)c(F)cc3[nH]2)CC1 ZINC001250571457 1105539489 /nfs/dbraw/zinc/53/94/89/1105539489.db2.gz ZRDXOFNHFNUWRY-UHFFFAOYSA-N 2 2 313.380 3.087 20 0 DGADLP CCCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252099705 1105739184 /nfs/dbraw/zinc/73/91/84/1105739184.db2.gz OFNOYEZATSOIPS-IBGZPJMESA-N 2 2 322.468 3.273 20 0 DGADLP CCCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252099705 1105739188 /nfs/dbraw/zinc/73/91/88/1105739188.db2.gz OFNOYEZATSOIPS-IBGZPJMESA-N 2 2 322.468 3.273 20 0 DGADLP C[NH+]1CCC([N@H+](C[C@@H](O)c2ccc(F)cc2)C2CCCC2)CC1 ZINC001252848585 1105842224 /nfs/dbraw/zinc/84/22/24/1105842224.db2.gz QNHXMCZKPWBKDV-LJQANCHMSA-N 2 2 320.452 3.198 20 0 DGADLP C[NH+]1CCC([N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CCCC2)CC1 ZINC001252848585 1105842230 /nfs/dbraw/zinc/84/22/30/1105842230.db2.gz QNHXMCZKPWBKDV-LJQANCHMSA-N 2 2 320.452 3.198 20 0 DGADLP O[C@]1(CNc2[nH+]cccc2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252920669 1105855654 /nfs/dbraw/zinc/85/56/54/1105855654.db2.gz BGNWXTCBXUJRCD-FQEVSTJZSA-N 2 2 323.440 3.008 20 0 DGADLP O[C@]1(CNc2[nH+]cccc2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252920669 1105855662 /nfs/dbraw/zinc/85/56/62/1105855662.db2.gz BGNWXTCBXUJRCD-FQEVSTJZSA-N 2 2 323.440 3.008 20 0 DGADLP C[NH+]1CCC([N@H+](C[C@@](C)(O)c2ccccc2)C2CCCC2)CC1 ZINC001253107327 1105889334 /nfs/dbraw/zinc/88/93/34/1105889334.db2.gz NNMFHCDGHOQBNQ-HXUWFJFHSA-N 2 2 316.489 3.233 20 0 DGADLP C[NH+]1CCC([N@@H+](C[C@@](C)(O)c2ccccc2)C2CCCC2)CC1 ZINC001253107327 1105889336 /nfs/dbraw/zinc/88/93/36/1105889336.db2.gz NNMFHCDGHOQBNQ-HXUWFJFHSA-N 2 2 316.489 3.233 20 0 DGADLP CC[NH+](CC)C[C@@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001253176693 1105899694 /nfs/dbraw/zinc/89/96/94/1105899694.db2.gz MNKIJWGZKKVYQZ-LBPRGKRZSA-N 2 2 307.825 3.003 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001253391983 1105933870 /nfs/dbraw/zinc/93/38/70/1105933870.db2.gz ZXYSJJUCWDQDSA-PBHICJAKSA-N 2 2 308.441 3.102 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001253391983 1105933873 /nfs/dbraw/zinc/93/38/73/1105933873.db2.gz ZXYSJJUCWDQDSA-PBHICJAKSA-N 2 2 308.441 3.102 20 0 DGADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253405018 1105935292 /nfs/dbraw/zinc/93/52/92/1105935292.db2.gz NJYKFVSUBZZDMZ-LBPRGKRZSA-N 2 2 319.276 3.140 20 0 DGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC001253746782 1105979442 /nfs/dbraw/zinc/97/94/42/1105979442.db2.gz CHFJJMGLIAYQOQ-GOSISDBHSA-N 2 2 322.468 3.095 20 0 DGADLP Fc1c[nH+]ccc1N(C1CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC001254230081 1106041675 /nfs/dbraw/zinc/04/16/75/1106041675.db2.gz ORZKUWPJWXXILA-UHFFFAOYSA-N 2 2 313.367 3.357 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506629 1106085202 /nfs/dbraw/zinc/08/52/02/1106085202.db2.gz VUAGIYNFGGPTNG-SWLSCSKDSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001254506629 1106085206 /nfs/dbraw/zinc/08/52/06/1106085206.db2.gz VUAGIYNFGGPTNG-SWLSCSKDSA-N 2 2 317.260 3.101 20 0 DGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254848365 1106148119 /nfs/dbraw/zinc/14/81/19/1106148119.db2.gz PFJKFHRNSQUKHO-QZTJIDSGSA-N 2 2 304.865 3.271 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255131341 1106186142 /nfs/dbraw/zinc/18/61/42/1106186142.db2.gz CONKJNPRBBQYGO-LDLYASANSA-N 2 2 322.456 3.070 20 0 DGADLP Cc1nccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255131341 1106186147 /nfs/dbraw/zinc/18/61/47/1106186147.db2.gz CONKJNPRBBQYGO-LDLYASANSA-N 2 2 322.456 3.070 20 0 DGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137193 1106187371 /nfs/dbraw/zinc/18/73/71/1106187371.db2.gz PKCSWQMXRJGYJS-YCKXBTPASA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137193 1106187372 /nfs/dbraw/zinc/18/73/72/1106187372.db2.gz PKCSWQMXRJGYJS-YCKXBTPASA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137193 1106187373 /nfs/dbraw/zinc/18/73/73/1106187373.db2.gz PKCSWQMXRJGYJS-YCKXBTPASA-N 2 2 312.457 3.045 20 0 DGADLP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001255137193 1106187374 /nfs/dbraw/zinc/18/73/74/1106187374.db2.gz PKCSWQMXRJGYJS-YCKXBTPASA-N 2 2 312.457 3.045 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255137629 1106188256 /nfs/dbraw/zinc/18/82/56/1106188256.db2.gz ZGDZLMWNWOBHCC-BWTSREIZSA-N 3 2 324.472 3.143 20 0 DGADLP [NH3+]CCCc1[nH+]ccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137629 1106188264 /nfs/dbraw/zinc/18/82/64/1106188264.db2.gz ZGDZLMWNWOBHCC-BWTSREIZSA-N 3 2 324.472 3.143 20 0 DGADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151726 1106192262 /nfs/dbraw/zinc/19/22/62/1106192262.db2.gz YCCPHZLFNMOSOJ-ZRSLWSEBSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151726 1106192265 /nfs/dbraw/zinc/19/22/65/1106192265.db2.gz YCCPHZLFNMOSOJ-ZRSLWSEBSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151726 1106192267 /nfs/dbraw/zinc/19/22/67/1106192267.db2.gz YCCPHZLFNMOSOJ-ZRSLWSEBSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)CO1 ZINC001255151726 1106192272 /nfs/dbraw/zinc/19/22/72/1106192272.db2.gz YCCPHZLFNMOSOJ-ZRSLWSEBSA-N 2 2 314.473 3.291 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001255321054 1106221517 /nfs/dbraw/zinc/22/15/17/1106221517.db2.gz XCSQCTRWPJXOOM-YTQUADARSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001255321054 1106221518 /nfs/dbraw/zinc/22/15/18/1106221518.db2.gz XCSQCTRWPJXOOM-YTQUADARSA-N 2 2 304.478 3.444 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255387069 1106238122 /nfs/dbraw/zinc/23/81/22/1106238122.db2.gz PVKHJIMDYMMQHE-SFHVURJKSA-N 2 2 312.461 3.047 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255387069 1106238123 /nfs/dbraw/zinc/23/81/23/1106238123.db2.gz PVKHJIMDYMMQHE-SFHVURJKSA-N 2 2 312.461 3.047 20 0 DGADLP CCn1cnc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255392273 1106239437 /nfs/dbraw/zinc/23/94/37/1106239437.db2.gz HYMQSHHUUVSPNW-GOSISDBHSA-N 2 2 312.461 3.047 20 0 DGADLP CCn1cnc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255392273 1106239440 /nfs/dbraw/zinc/23/94/40/1106239440.db2.gz HYMQSHHUUVSPNW-GOSISDBHSA-N 2 2 312.461 3.047 20 0 DGADLP Fc1ccnc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255388801 1106239783 /nfs/dbraw/zinc/23/97/83/1106239783.db2.gz HYJIDRPXZUDGGK-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP Fc1ccnc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255388801 1106239786 /nfs/dbraw/zinc/23/97/86/1106239786.db2.gz HYJIDRPXZUDGGK-GOSISDBHSA-N 2 2 313.420 3.365 20 0 DGADLP CC(C)(C)[NH+]1CC(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255393532 1106240258 /nfs/dbraw/zinc/24/02/58/1106240258.db2.gz SDTODIBTOYPGIX-GOSISDBHSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(C)[NH+]1CC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393532 1106240266 /nfs/dbraw/zinc/24/02/66/1106240266.db2.gz SDTODIBTOYPGIX-GOSISDBHSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(C)N1CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255393532 1106240271 /nfs/dbraw/zinc/24/02/71/1106240271.db2.gz SDTODIBTOYPGIX-GOSISDBHSA-N 2 2 315.505 3.113 20 0 DGADLP CC(C)(C)N1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393532 1106240274 /nfs/dbraw/zinc/24/02/74/1106240274.db2.gz SDTODIBTOYPGIX-GOSISDBHSA-N 2 2 315.505 3.113 20 0 DGADLP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001255640029 1106282315 /nfs/dbraw/zinc/28/23/15/1106282315.db2.gz NDJLIDIBNREIIX-LBPRGKRZSA-N 2 2 316.367 3.287 20 0 DGADLP Cc1ccc(N([C@H](C)CC(F)(F)F)C2CC[NH2+]CC2)[nH+]c1 ZINC001255662040 1106289066 /nfs/dbraw/zinc/28/90/66/1106289066.db2.gz FJKAGGMFKMWYRE-GFCCVEGCSA-N 2 2 301.356 3.289 20 0 DGADLP COc1cccc2c1C[N@@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255674156 1106292195 /nfs/dbraw/zinc/29/21/95/1106292195.db2.gz LTQNYRDIACSCTQ-SJPCQFCGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[N@H+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255674156 1106292197 /nfs/dbraw/zinc/29/21/97/1106292197.db2.gz LTQNYRDIACSCTQ-SJPCQFCGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255674156 1106292199 /nfs/dbraw/zinc/29/21/99/1106292199.db2.gz LTQNYRDIACSCTQ-SJPCQFCGSA-N 2 2 300.446 3.069 20 0 DGADLP COc1cccc2c1C[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255674156 1106292201 /nfs/dbraw/zinc/29/22/01/1106292201.db2.gz LTQNYRDIACSCTQ-SJPCQFCGSA-N 2 2 300.446 3.069 20 0 DGADLP Cc1[nH+]c2c(n1[C@H]1CCC[C@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC001255705888 1106299128 /nfs/dbraw/zinc/29/91/28/1106299128.db2.gz MNLXMYWVJALRAR-RYUDHWBXSA-N 2 2 301.356 3.173 20 0 DGADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(C)cc2)c1CSCC[NH3+] ZINC001255778084 1106314270 /nfs/dbraw/zinc/31/42/70/1106314270.db2.gz QNCOMJGZOVQYKH-AWEZNQCLSA-N 2 2 303.475 3.496 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001255839914 1106325277 /nfs/dbraw/zinc/32/52/77/1106325277.db2.gz YCAXASGDQBKNEA-OAHLLOKOSA-N 2 2 313.420 3.102 20 0 DGADLP CC[NH+](CC)CC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001255950551 1106347308 /nfs/dbraw/zinc/34/73/08/1106347308.db2.gz ACXGWRJZBKMAOR-OAHLLOKOSA-N 3 2 300.450 3.302 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCC2)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071514 1106364174 /nfs/dbraw/zinc/36/41/74/1106364174.db2.gz BIONFTOFFVJYGQ-UAPYVXQJSA-N 3 2 319.537 3.375 20 0 DGADLP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071514 1106364179 /nfs/dbraw/zinc/36/41/79/1106364179.db2.gz BIONFTOFFVJYGQ-UAPYVXQJSA-N 3 2 319.537 3.375 20 0 DGADLP COc1cccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001256156267 1106380255 /nfs/dbraw/zinc/38/02/55/1106380255.db2.gz QIQYNQPFWQVRHW-BEFAXECRSA-N 2 2 310.441 3.012 20 0 DGADLP COc1cccc(C[C@@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001256156267 1106380260 /nfs/dbraw/zinc/38/02/60/1106380260.db2.gz QIQYNQPFWQVRHW-BEFAXECRSA-N 2 2 310.441 3.012 20 0 DGADLP COc1cccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])c1 ZINC001256156282 1106380814 /nfs/dbraw/zinc/38/08/14/1106380814.db2.gz QIQYNQPFWQVRHW-DNVCBOLYSA-N 2 2 310.441 3.012 20 0 DGADLP COc1cccc(C[C@@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])c1 ZINC001256156282 1106380816 /nfs/dbraw/zinc/38/08/16/1106380816.db2.gz QIQYNQPFWQVRHW-DNVCBOLYSA-N 2 2 310.441 3.012 20 0 DGADLP C[NH+]1CCC([N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001256210469 1106390859 /nfs/dbraw/zinc/39/08/59/1106390859.db2.gz IYMHXACXXOFPFQ-OIISXLGYSA-N 2 2 322.493 3.055 20 0 DGADLP C[NH+]1CCC([N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001256210469 1106390863 /nfs/dbraw/zinc/39/08/63/1106390863.db2.gz IYMHXACXXOFPFQ-OIISXLGYSA-N 2 2 322.493 3.055 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528839 1106434238 /nfs/dbraw/zinc/43/42/38/1106434238.db2.gz MHXYTGBIOGFWGB-MAUKXSAKSA-N 2 2 302.462 3.387 20 0 DGADLP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528839 1106434242 /nfs/dbraw/zinc/43/42/42/1106434242.db2.gz MHXYTGBIOGFWGB-MAUKXSAKSA-N 2 2 302.462 3.387 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528090 1106434753 /nfs/dbraw/zinc/43/47/53/1106434753.db2.gz XLKVXHHLUARSDF-MAUKXSAKSA-N 2 2 300.446 3.141 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CCC(=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528090 1106434754 /nfs/dbraw/zinc/43/47/54/1106434754.db2.gz XLKVXHHLUARSDF-MAUKXSAKSA-N 2 2 300.446 3.141 20 0 DGADLP CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256553915 1106442025 /nfs/dbraw/zinc/44/20/25/1106442025.db2.gz MGJTXOOMBNQJLP-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256553915 1106442027 /nfs/dbraw/zinc/44/20/27/1106442027.db2.gz MGJTXOOMBNQJLP-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256553915 1106442028 /nfs/dbraw/zinc/44/20/28/1106442028.db2.gz MGJTXOOMBNQJLP-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256553915 1106442030 /nfs/dbraw/zinc/44/20/30/1106442030.db2.gz MGJTXOOMBNQJLP-RLLQIKCJSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256553913 1106442667 /nfs/dbraw/zinc/44/26/67/1106442667.db2.gz MGJTXOOMBNQJLP-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256553913 1106442669 /nfs/dbraw/zinc/44/26/69/1106442669.db2.gz MGJTXOOMBNQJLP-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256553913 1106442672 /nfs/dbraw/zinc/44/26/72/1106442672.db2.gz MGJTXOOMBNQJLP-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP CC(C)[C@@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256553913 1106442673 /nfs/dbraw/zinc/44/26/73/1106442673.db2.gz MGJTXOOMBNQJLP-HOJAQTOUSA-N 2 2 316.489 3.396 20 0 DGADLP C[C@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256554798 1106442759 /nfs/dbraw/zinc/44/27/59/1106442759.db2.gz QXZQPTLNYZESNZ-DWRORGKVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001256554798 1106442761 /nfs/dbraw/zinc/44/27/61/1106442761.db2.gz QXZQPTLNYZESNZ-DWRORGKVSA-N 2 2 302.462 3.149 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559865 1106444734 /nfs/dbraw/zinc/44/47/34/1106444734.db2.gz OACAVPBMOSUUMK-UXPWSPDFSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCOC[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559865 1106444735 /nfs/dbraw/zinc/44/47/35/1106444735.db2.gz OACAVPBMOSUUMK-UXPWSPDFSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+]2CCOC[C@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559865 1106444736 /nfs/dbraw/zinc/44/47/36/1106444736.db2.gz OACAVPBMOSUUMK-UXPWSPDFSA-N 2 2 314.473 3.150 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+]2CCOC[C@H]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001256559865 1106444737 /nfs/dbraw/zinc/44/47/37/1106444737.db2.gz OACAVPBMOSUUMK-UXPWSPDFSA-N 2 2 314.473 3.150 20 0 DGADLP CC1(C)C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@@](C)(CO)C1 ZINC001256604860 1106452905 /nfs/dbraw/zinc/45/29/05/1106452905.db2.gz YOIOCIFGKFWHTB-HXUWFJFHSA-N 2 2 316.489 3.134 20 0 DGADLP CC1(C)C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)[C@@](C)(CO)C1 ZINC001256604860 1106452908 /nfs/dbraw/zinc/45/29/08/1106452908.db2.gz YOIOCIFGKFWHTB-HXUWFJFHSA-N 2 2 316.489 3.134 20 0 DGADLP COC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613873 1106454394 /nfs/dbraw/zinc/45/43/94/1106454394.db2.gz XNYOQAPFJXXLIA-YOFSQIOKSA-N 2 2 314.473 3.293 20 0 DGADLP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256613873 1106454395 /nfs/dbraw/zinc/45/43/95/1106454395.db2.gz XNYOQAPFJXXLIA-YOFSQIOKSA-N 2 2 314.473 3.293 20 0 DGADLP COc1cccc2c1CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001256653117 1106462913 /nfs/dbraw/zinc/46/29/13/1106462913.db2.gz AJTYKUZDHAYDSG-HOTGVXAUSA-N 2 2 311.429 3.089 20 0 DGADLP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793995 1106484793 /nfs/dbraw/zinc/48/47/93/1106484793.db2.gz GBBYRUTZQLDCJQ-SLFFLAALSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001256793995 1106484795 /nfs/dbraw/zinc/48/47/95/1106484795.db2.gz GBBYRUTZQLDCJQ-SLFFLAALSA-N 2 2 314.473 3.371 20 0 DGADLP c1cn2cc(C[NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)ccc2[nH+]1 ZINC001256802295 1106487070 /nfs/dbraw/zinc/48/70/70/1106487070.db2.gz AGELOGXQXHFMAY-MSOLQXFVSA-N 2 2 307.397 3.344 20 0 DGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256818660 1106489843 /nfs/dbraw/zinc/48/98/43/1106489843.db2.gz XTDOKDHBYCZDDO-OALUTQOASA-N 2 2 302.462 3.323 20 0 DGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256818660 1106489846 /nfs/dbraw/zinc/48/98/46/1106489846.db2.gz XTDOKDHBYCZDDO-OALUTQOASA-N 2 2 302.462 3.323 20 0 DGADLP c1cn(C2CC[NH+]([C@H]3CCO[C@H](c4ccccc4)C3)CC2)c[nH+]1 ZINC001256818772 1106489933 /nfs/dbraw/zinc/48/99/33/1106489933.db2.gz AROIAWNCOFITNJ-OALUTQOASA-N 2 2 311.429 3.440 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(F)cn1 ZINC001256907030 1106508430 /nfs/dbraw/zinc/50/84/30/1106508430.db2.gz XJJYYHXNMUKQJN-MRXNPFEDSA-N 2 2 319.468 3.495 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccc(F)cn1 ZINC001256907030 1106508433 /nfs/dbraw/zinc/50/84/33/1106508433.db2.gz XJJYYHXNMUKQJN-MRXNPFEDSA-N 2 2 319.468 3.495 20 0 DGADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC001257453785 1106591832 /nfs/dbraw/zinc/59/18/32/1106591832.db2.gz IOBLOMBDCIZKCI-MOPGFXCFSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCCCC1 ZINC001257453785 1106591836 /nfs/dbraw/zinc/59/18/36/1106591836.db2.gz IOBLOMBDCIZKCI-MOPGFXCFSA-N 2 2 302.462 3.198 20 0 DGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC001257657399 1106615603 /nfs/dbraw/zinc/61/56/03/1106615603.db2.gz DXTXYNZFWMPLOO-QGZVFWFLSA-N 2 2 320.502 3.145 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C2CCC3(COC3)CC2)cc1 ZINC001257902966 1106644505 /nfs/dbraw/zinc/64/45/05/1106644505.db2.gz SEEBJGWOQQNWRW-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C2CCC3(COC3)CC2)cc1 ZINC001257902966 1106644507 /nfs/dbraw/zinc/64/45/07/1106644507.db2.gz SEEBJGWOQQNWRW-IBGZPJMESA-N 2 2 314.473 3.200 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+]2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001258019907 1106659066 /nfs/dbraw/zinc/65/90/66/1106659066.db2.gz JDWWBYJMXDIMNL-INIZCTEOSA-N 2 2 306.494 3.331 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+]2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001258019907 1106659067 /nfs/dbraw/zinc/65/90/67/1106659067.db2.gz JDWWBYJMXDIMNL-INIZCTEOSA-N 2 2 306.494 3.331 20 0 DGADLP COc1cccc2c1CC[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258017591 1106659213 /nfs/dbraw/zinc/65/92/13/1106659213.db2.gz AUIPDDFKVAEAQX-UHFFFAOYSA-N 2 2 302.462 3.174 20 0 DGADLP COc1cccc2c1CC[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258017591 1106659216 /nfs/dbraw/zinc/65/92/16/1106659216.db2.gz AUIPDDFKVAEAQX-UHFFFAOYSA-N 2 2 302.462 3.174 20 0 DGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258056526 1106665694 /nfs/dbraw/zinc/66/56/94/1106665694.db2.gz AIVIWSUZHXUKPT-UMGGQSCQSA-N 2 2 317.521 3.249 20 0 DGADLP CC(C)=CCC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258095085 1106671627 /nfs/dbraw/zinc/67/16/27/1106671627.db2.gz XYWXTAVTKHRMCZ-MRXNPFEDSA-N 2 2 302.466 3.350 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CCC=C(C)C)CC2)c1 ZINC001258097461 1106672454 /nfs/dbraw/zinc/67/24/54/1106672454.db2.gz KEGDSGGEARCTQM-MRXNPFEDSA-N 2 2 303.450 3.347 20 0 DGADLP FC1(F)CC2(C[NH+](C3CC[NH+](CCc4ccccc4)CC3)C2)C1 ZINC001258140635 1106680014 /nfs/dbraw/zinc/68/00/14/1106680014.db2.gz AGVFIMXBVDJLRW-UHFFFAOYSA-N 2 2 320.427 3.425 20 0 DGADLP CSCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258217959 1106699710 /nfs/dbraw/zinc/69/97/10/1106699710.db2.gz UJXDVCAKEBUQEX-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258217959 1106699712 /nfs/dbraw/zinc/69/97/12/1106699712.db2.gz UJXDVCAKEBUQEX-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258217959 1106699716 /nfs/dbraw/zinc/69/97/16/1106699716.db2.gz UJXDVCAKEBUQEX-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP CSCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258217959 1106699719 /nfs/dbraw/zinc/69/97/19/1106699719.db2.gz UJXDVCAKEBUQEX-CABCVRRESA-N 2 2 324.538 3.242 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001258405310 1106731360 /nfs/dbraw/zinc/73/13/60/1106731360.db2.gz CZBYWDHGDMKXQR-VDZJLULYSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001258405310 1106731367 /nfs/dbraw/zinc/73/13/67/1106731367.db2.gz CZBYWDHGDMKXQR-VDZJLULYSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001258405310 1106731370 /nfs/dbraw/zinc/73/13/70/1106731370.db2.gz CZBYWDHGDMKXQR-VDZJLULYSA-N 2 2 302.462 3.042 20 0 DGADLP COc1ccc(CC[C@H](C)[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001258405310 1106731376 /nfs/dbraw/zinc/73/13/76/1106731376.db2.gz CZBYWDHGDMKXQR-VDZJLULYSA-N 2 2 302.462 3.042 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CC1CC1 ZINC001258458795 1106754838 /nfs/dbraw/zinc/75/48/38/1106754838.db2.gz ZMSWUXXONGCORI-AYOQOUSVSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CC1CC1 ZINC001258458795 1106754850 /nfs/dbraw/zinc/75/48/50/1106754850.db2.gz ZMSWUXXONGCORI-AYOQOUSVSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CC1CC1 ZINC001258458794 1106756740 /nfs/dbraw/zinc/75/67/40/1106756740.db2.gz ZMSWUXXONGCORI-ATZDWAIDSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CC1CC1 ZINC001258458794 1106756750 /nfs/dbraw/zinc/75/67/50/1106756750.db2.gz ZMSWUXXONGCORI-ATZDWAIDSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H](Cc1cccnc1)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258632556 1106869451 /nfs/dbraw/zinc/86/94/51/1106869451.db2.gz IPQBEPBREHTLOM-INIZCTEOSA-N 2 2 301.478 3.351 20 0 DGADLP C[C@@H](Cc1cccnc1)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258632556 1106869467 /nfs/dbraw/zinc/86/94/67/1106869467.db2.gz IPQBEPBREHTLOM-INIZCTEOSA-N 2 2 301.478 3.351 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001258709994 1106922564 /nfs/dbraw/zinc/92/25/64/1106922564.db2.gz QETDQHZFHNBBLQ-OALUTQOASA-N 2 2 304.478 3.050 20 0 DGADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001258709994 1106922570 /nfs/dbraw/zinc/92/25/70/1106922570.db2.gz QETDQHZFHNBBLQ-OALUTQOASA-N 2 2 304.478 3.050 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001258764900 1106962174 /nfs/dbraw/zinc/96/21/74/1106962174.db2.gz VTDQXWCQRRLAKC-UHFFFAOYSA-N 2 2 301.356 3.064 20 0 DGADLP CCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001258774741 1106967202 /nfs/dbraw/zinc/96/72/02/1106967202.db2.gz XIFRQNYZMDLZHN-GOSISDBHSA-N 3 2 307.526 3.201 20 0 DGADLP CCC[NH+]1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001258774741 1106967213 /nfs/dbraw/zinc/96/72/13/1106967213.db2.gz XIFRQNYZMDLZHN-GOSISDBHSA-N 3 2 307.526 3.201 20 0 DGADLP CCC[NH+]1CCC([NH+]2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001258775245 1106967605 /nfs/dbraw/zinc/96/76/05/1106967605.db2.gz GPOAWPQTEGWHBC-UHFFFAOYSA-N 2 2 315.505 3.300 20 0 DGADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258783809 1106975315 /nfs/dbraw/zinc/97/53/15/1106975315.db2.gz JGSJPJKETOMRND-YSHGAJCASA-N 2 2 303.494 3.003 20 0 DGADLP CC[C@@H](C)C[C@H](CC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001258794357 1106979647 /nfs/dbraw/zinc/97/96/47/1106979647.db2.gz KZMPKRRNYZEIOX-PBHICJAKSA-N 2 2 304.482 3.430 20 0 DGADLP CC[NH+](CC)CCC[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001258900456 1107049249 /nfs/dbraw/zinc/04/92/49/1107049249.db2.gz MKDSMYGEYVHIFH-AWEZNQCLSA-N 3 2 312.527 3.066 20 0 DGADLP CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001317189559 1107109413 /nfs/dbraw/zinc/10/94/13/1107109413.db2.gz VTGXSBQJFHGDFK-QGZVFWFLSA-N 2 2 317.477 3.391 20 0 DGADLP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317329790 1107236380 /nfs/dbraw/zinc/23/63/80/1107236380.db2.gz GLIREZVQQNDQFV-KRWDZBQOSA-N 2 2 315.461 3.025 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC001261813502 1107535408 /nfs/dbraw/zinc/53/54/08/1107535408.db2.gz WDNCORLLJNSIIO-QGZVFWFLSA-N 2 2 323.444 3.478 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC001322305830 1107622292 /nfs/dbraw/zinc/62/22/92/1107622292.db2.gz XNZRYULDQWUTPD-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC001322305830 1107622298 /nfs/dbraw/zinc/62/22/98/1107622298.db2.gz XNZRYULDQWUTPD-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP CCc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)s1 ZINC001262113101 1107623760 /nfs/dbraw/zinc/62/37/60/1107623760.db2.gz BQZNZHWIHQTLFO-UHFFFAOYSA-N 2 2 308.491 3.044 20 0 DGADLP C/C(=C(/F)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)C1CC1 ZINC001262155819 1107630644 /nfs/dbraw/zinc/63/06/44/1107630644.db2.gz WPQQLTZQYSBIKF-GDNBJRDFSA-N 2 2 300.337 3.168 20 0 DGADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC001322696900 1107739649 /nfs/dbraw/zinc/73/96/49/1107739649.db2.gz ANCXPVIJDPKZHY-SFHVURJKSA-N 2 2 324.896 3.050 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccsc1 ZINC001322845553 1107766751 /nfs/dbraw/zinc/76/67/51/1107766751.db2.gz HMILFOVROILOEC-UHFFFAOYSA-N 2 2 312.398 3.209 20 0 DGADLP CSCCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318646159 1108137124 /nfs/dbraw/zinc/13/71/24/1108137124.db2.gz CBRRMLJZJUQNDK-UHFFFAOYSA-N 2 2 304.419 3.048 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001324424359 1108283062 /nfs/dbraw/zinc/28/30/62/1108283062.db2.gz JATXKQWKWLQJAT-TZMCWYRMSA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC001324424359 1108283066 /nfs/dbraw/zinc/28/30/66/1108283066.db2.gz JATXKQWKWLQJAT-TZMCWYRMSA-N 2 2 316.276 3.259 20 0 DGADLP COc1cccc2c(N3CCC[N@@H+]4CCC[C@H]4C3)cc(C)[nH+]c12 ZINC001319282750 1108398753 /nfs/dbraw/zinc/39/87/53/1108398753.db2.gz NWPSEUFHEYPIKT-HNNXBMFYSA-N 2 2 311.429 3.226 20 0 DGADLP COc1cccc2c(N3CCC[N@H+]4CCC[C@H]4C3)cc(C)[nH+]c12 ZINC001319282750 1108398765 /nfs/dbraw/zinc/39/87/65/1108398765.db2.gz NWPSEUFHEYPIKT-HNNXBMFYSA-N 2 2 311.429 3.226 20 0 DGADLP CC(C)n1ncc2c1[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC001324699661 1108431199 /nfs/dbraw/zinc/43/11/99/1108431199.db2.gz DEBIVOPQESDUIO-KRWDZBQOSA-N 2 2 302.466 3.058 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1(C(F)(F)F)CC1 ZINC001324741297 1108448117 /nfs/dbraw/zinc/44/81/17/1108448117.db2.gz FTQSIRXAWVTQPR-UHFFFAOYSA-N 2 2 324.306 3.247 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC000388675953 1108583162 /nfs/dbraw/zinc/58/31/62/1108583162.db2.gz SORRIVNSBQZSIP-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC000388675953 1108583170 /nfs/dbraw/zinc/58/31/70/1108583170.db2.gz SORRIVNSBQZSIP-UHFFFAOYSA-N 2 2 316.367 3.327 20 0 DGADLP C[Si](C)(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001307546259 1111312972 /nfs/dbraw/zinc/31/29/72/1111312972.db2.gz HTARTNDUDQIZTI-MRXNPFEDSA-N 2 2 313.521 3.335 20 0 DGADLP C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001307546259 1111312974 /nfs/dbraw/zinc/31/29/74/1111312974.db2.gz HTARTNDUDQIZTI-MRXNPFEDSA-N 2 2 313.521 3.335 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC001308195744 1111395086 /nfs/dbraw/zinc/39/50/86/1111395086.db2.gz WKNIGAPSBWBPOZ-GJZGRUSLSA-N 2 2 317.433 3.247 20 0 DGADLP Clc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001308195024 1111395196 /nfs/dbraw/zinc/39/51/96/1111395196.db2.gz VPYYOARDMIKPII-UHFFFAOYSA-N 2 2 312.804 3.270 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@H]3COc4ccccc4C3)c2)c[nH+]1 ZINC001308259597 1111406199 /nfs/dbraw/zinc/40/61/99/1111406199.db2.gz ZIRVFNADNWZVOO-CQSZACIVSA-N 2 2 311.410 3.027 20 0 DGADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001308452995 1111430522 /nfs/dbraw/zinc/43/05/22/1111430522.db2.gz MRIXCQQKHWYOKW-KRWDZBQOSA-N 2 2 318.461 3.232 20 0 DGADLP CC(C)c1nc([C@@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)no1 ZINC001308627875 1111452759 /nfs/dbraw/zinc/45/27/59/1111452759.db2.gz OOMWXQUUBMVKCM-HNNXBMFYSA-N 2 2 306.454 3.062 20 0 DGADLP CC(C)c1nc([C@@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)no1 ZINC001308627875 1111452761 /nfs/dbraw/zinc/45/27/61/1111452761.db2.gz OOMWXQUUBMVKCM-HNNXBMFYSA-N 2 2 306.454 3.062 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC001308942146 1111497235 /nfs/dbraw/zinc/49/72/35/1111497235.db2.gz FYUPKMCXMRVXRQ-MRXNPFEDSA-N 2 2 314.473 3.460 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308974213 1111503241 /nfs/dbraw/zinc/50/32/41/1111503241.db2.gz FQQYFVDKKZISFM-OAHLLOKOSA-N 2 2 314.477 3.206 20 0 DGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308974213 1111503242 /nfs/dbraw/zinc/50/32/42/1111503242.db2.gz FQQYFVDKKZISFM-OAHLLOKOSA-N 2 2 314.477 3.206 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c(C)[nH+]1 ZINC001310834209 1111573222 /nfs/dbraw/zinc/57/32/22/1111573222.db2.gz IDGJAHRBOSZCET-MRXNPFEDSA-N 2 2 318.465 3.201 20 0 DGADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c(C)[nH+]1 ZINC001310834209 1111573225 /nfs/dbraw/zinc/57/32/25/1111573225.db2.gz IDGJAHRBOSZCET-MRXNPFEDSA-N 2 2 318.465 3.201 20 0 DGADLP Cc1nc(C)c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)s1 ZINC000076865437 185048113 /nfs/dbraw/zinc/04/81/13/185048113.db2.gz YMRNFQZDFCAZLB-UHFFFAOYSA-N 2 2 300.431 3.208 20 0 DGADLP COc1ccc([C@@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000278389344 214136877 /nfs/dbraw/zinc/13/68/77/214136877.db2.gz MKDVCJWFMILTER-MAUKXSAKSA-N 2 2 320.502 3.175 20 0 DGADLP CCC(CC)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422797717 282122322 /nfs/dbraw/zinc/12/23/22/282122322.db2.gz ODXBREVSXHUIGJ-RTBURBONSA-N 2 2 316.489 3.101 20 0 DGADLP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278578919 214252212 /nfs/dbraw/zinc/25/22/12/214252212.db2.gz XZLNACVCURGBPQ-MRXNPFEDSA-N 3 2 324.472 3.397 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C[C@H]3CCCSC3)C2)cc1 ZINC000310004855 231109831 /nfs/dbraw/zinc/10/98/31/231109831.db2.gz UDWAKCKYVTUJFL-MSOLQXFVSA-N 2 2 304.503 3.384 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@H]3CCCSC3)C2)cc1 ZINC000310004855 231109835 /nfs/dbraw/zinc/10/98/35/231109835.db2.gz UDWAKCKYVTUJFL-MSOLQXFVSA-N 2 2 304.503 3.384 20 0 DGADLP COC1(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000310344721 231113529 /nfs/dbraw/zinc/11/35/29/231113529.db2.gz OXNAYQOWQHMWDT-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP COC1(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000310344721 231113533 /nfs/dbraw/zinc/11/35/33/231113533.db2.gz OXNAYQOWQHMWDT-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP COC1(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000320231086 231191527 /nfs/dbraw/zinc/19/15/27/231191527.db2.gz GUMNXDFCYRMTNN-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP COC1(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000320231086 231191530 /nfs/dbraw/zinc/19/15/30/231191530.db2.gz GUMNXDFCYRMTNN-GOSISDBHSA-N 2 2 302.462 3.200 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000321567263 231203648 /nfs/dbraw/zinc/20/36/48/231203648.db2.gz IKKZFEQQVUWGEN-BEVDRBHNSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000321567263 231203651 /nfs/dbraw/zinc/20/36/51/231203651.db2.gz IKKZFEQQVUWGEN-BEVDRBHNSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1 ZINC000321567269 231204325 /nfs/dbraw/zinc/20/43/25/231204325.db2.gz IKKZFEQQVUWGEN-RYGJVYDSSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1 ZINC000321567269 231204328 /nfs/dbraw/zinc/20/43/28/231204328.db2.gz IKKZFEQQVUWGEN-RYGJVYDSSA-N 2 2 310.441 3.354 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129405915 432004586 /nfs/dbraw/zinc/00/45/86/432004586.db2.gz JAKASRRCMWZENP-HUUCEWRRSA-N 2 2 308.853 3.055 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129405915 432004589 /nfs/dbraw/zinc/00/45/89/432004589.db2.gz JAKASRRCMWZENP-HUUCEWRRSA-N 2 2 308.853 3.055 20 0 DGADLP CCc1cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076299 529529319 /nfs/dbraw/zinc/52/93/19/529529319.db2.gz HGHAXBNOYYKCKV-GOSISDBHSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1cc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076299 529529320 /nfs/dbraw/zinc/52/93/20/529529320.db2.gz HGHAXBNOYYKCKV-GOSISDBHSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302027803 529531775 /nfs/dbraw/zinc/53/17/75/529531775.db2.gz AMFYWGPHSIAHND-MRXNPFEDSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302027803 529531778 /nfs/dbraw/zinc/53/17/78/529531778.db2.gz AMFYWGPHSIAHND-MRXNPFEDSA-N 2 2 324.472 3.448 20 0 DGADLP Cc1csc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000088602586 185259535 /nfs/dbraw/zinc/25/95/35/185259535.db2.gz PDNCEGPNUWYSMY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1csc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000088602586 185259536 /nfs/dbraw/zinc/25/95/36/185259536.db2.gz PDNCEGPNUWYSMY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1csc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000088602586 185259537 /nfs/dbraw/zinc/25/95/37/185259537.db2.gz PDNCEGPNUWYSMY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP Cc1csc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000088602586 185259538 /nfs/dbraw/zinc/25/95/38/185259538.db2.gz PDNCEGPNUWYSMY-QGZVFWFLSA-N 2 2 315.486 3.405 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000415044309 529617016 /nfs/dbraw/zinc/61/70/16/529617016.db2.gz BQIQPNFTHHCVGU-LJQANCHMSA-N 2 2 314.429 3.056 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090117701 185282892 /nfs/dbraw/zinc/28/28/92/185282892.db2.gz GKWDSEDGGUHDEY-BZUAXINKSA-N 2 2 312.461 3.334 20 0 DGADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090117701 185282893 /nfs/dbraw/zinc/28/28/93/185282893.db2.gz GKWDSEDGGUHDEY-BZUAXINKSA-N 2 2 312.461 3.334 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000090252118 185288158 /nfs/dbraw/zinc/28/81/58/185288158.db2.gz UVOYDGCIJITZLU-SNVBAGLBSA-N 2 2 317.658 3.273 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC000090252118 185288159 /nfs/dbraw/zinc/28/81/59/185288159.db2.gz UVOYDGCIJITZLU-SNVBAGLBSA-N 2 2 317.658 3.273 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000090400951 185294323 /nfs/dbraw/zinc/29/43/23/185294323.db2.gz VBAFHNZBZZJDKX-HIFRSBDPSA-N 2 2 316.474 3.025 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@H](C)C1 ZINC000090400951 185294324 /nfs/dbraw/zinc/29/43/24/185294324.db2.gz VBAFHNZBZZJDKX-HIFRSBDPSA-N 2 2 316.474 3.025 20 0 DGADLP c1cn(-c2ccc(C[N@H+](Cc3ccccn3)C3CC3)cc2)c[nH+]1 ZINC000181374023 199286798 /nfs/dbraw/zinc/28/67/98/199286798.db2.gz OFYADXPGVCTGEU-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP c1cn(-c2ccc(C[N@@H+](Cc3ccccn3)C3CC3)cc2)c[nH+]1 ZINC000181374023 199286800 /nfs/dbraw/zinc/28/68/00/199286800.db2.gz OFYADXPGVCTGEU-UHFFFAOYSA-N 2 2 304.397 3.432 20 0 DGADLP COc1ccc2oc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2c1 ZINC000092659327 185332202 /nfs/dbraw/zinc/33/22/02/185332202.db2.gz ZNWRIGVYOIQQII-UHFFFAOYSA-N 2 2 311.385 3.475 20 0 DGADLP C[NH2+]C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000430965359 529956062 /nfs/dbraw/zinc/95/60/62/529956062.db2.gz KZZQIKVUISRCNR-UHFFFAOYSA-N 2 2 323.440 3.123 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089961 534958856 /nfs/dbraw/zinc/95/88/56/534958856.db2.gz FPBXDXSDOXNRHD-RISCZKNCSA-N 2 2 312.379 3.413 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449089961 534958861 /nfs/dbraw/zinc/95/88/61/534958861.db2.gz FPBXDXSDOXNRHD-RISCZKNCSA-N 2 2 312.379 3.413 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607917 530001546 /nfs/dbraw/zinc/00/15/46/530001546.db2.gz ZTHDBCAQDGBMPJ-HZPDHXFCSA-N 2 2 317.477 3.068 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000430607917 530001547 /nfs/dbraw/zinc/00/15/47/530001547.db2.gz ZTHDBCAQDGBMPJ-HZPDHXFCSA-N 2 2 317.477 3.068 20 0 DGADLP C[N@@H+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CC[NH+](C)C1 ZINC000434171814 530016047 /nfs/dbraw/zinc/01/60/47/530016047.db2.gz FHOSRVHOADBBNQ-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP C[N@H+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CC[NH+](C)C1 ZINC000434171814 530016048 /nfs/dbraw/zinc/01/60/48/530016048.db2.gz FHOSRVHOADBBNQ-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CC[N@H+](C)C1 ZINC000434171814 530016049 /nfs/dbraw/zinc/01/60/49/530016049.db2.gz FHOSRVHOADBBNQ-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CC[N@@H+](C)C1 ZINC000434171814 530016051 /nfs/dbraw/zinc/01/60/51/530016051.db2.gz FHOSRVHOADBBNQ-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435433479 530024748 /nfs/dbraw/zinc/02/47/48/530024748.db2.gz SFKGNIACMBOPLX-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435433479 530024749 /nfs/dbraw/zinc/02/47/49/530024749.db2.gz SFKGNIACMBOPLX-HNNXBMFYSA-N 2 2 301.459 3.384 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864170 530051736 /nfs/dbraw/zinc/05/17/36/530051736.db2.gz ZAFOHJWEXXSVDR-AUUYWEPGSA-N 2 2 311.473 3.345 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442864170 530051737 /nfs/dbraw/zinc/05/17/37/530051737.db2.gz ZAFOHJWEXXSVDR-AUUYWEPGSA-N 2 2 311.473 3.345 20 0 DGADLP CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130072281 432014614 /nfs/dbraw/zinc/01/46/14/432014614.db2.gz UROKYRNTJVBMJC-KRWDZBQOSA-N 2 2 307.401 3.245 20 0 DGADLP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130072281 432014618 /nfs/dbraw/zinc/01/46/18/432014618.db2.gz UROKYRNTJVBMJC-KRWDZBQOSA-N 2 2 307.401 3.245 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nccn1-c1ccccc1 ZINC000286898033 219215093 /nfs/dbraw/zinc/21/50/93/219215093.db2.gz DITKDRFFLUDHDW-JZXOWHBKSA-N 2 2 310.445 3.150 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nccn1-c1ccccc1 ZINC000286898033 219215095 /nfs/dbraw/zinc/21/50/95/219215095.db2.gz DITKDRFFLUDHDW-JZXOWHBKSA-N 2 2 310.445 3.150 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1OC ZINC000279793919 215152728 /nfs/dbraw/zinc/15/27/28/215152728.db2.gz DAPLQSLJFQXJCB-KGLIPLIRSA-N 2 2 308.466 3.126 20 0 DGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000130343342 432022455 /nfs/dbraw/zinc/02/24/55/432022455.db2.gz GTCIULZDAZYPKO-KVPLUYHFSA-N 2 2 316.489 3.412 20 0 DGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000130343342 432022456 /nfs/dbraw/zinc/02/24/56/432022456.db2.gz GTCIULZDAZYPKO-KVPLUYHFSA-N 2 2 316.489 3.412 20 0 DGADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1SC ZINC000130388719 432022520 /nfs/dbraw/zinc/02/25/20/432022520.db2.gz RVTVSHNXMFHDHJ-UHFFFAOYSA-N 2 2 305.447 3.136 20 0 DGADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1SC ZINC000130388719 432022521 /nfs/dbraw/zinc/02/25/21/432022521.db2.gz RVTVSHNXMFHDHJ-UHFFFAOYSA-N 2 2 305.447 3.136 20 0 DGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000279959137 215271194 /nfs/dbraw/zinc/27/11/94/215271194.db2.gz PBGNLZGRZRXHBL-LSDHHAIUSA-N 2 2 317.433 3.072 20 0 DGADLP Nc1c(F)cccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000142879204 186032629 /nfs/dbraw/zinc/03/26/29/186032629.db2.gz ZGAIBTKZEZVMFL-UHFFFAOYSA-N 2 2 313.420 3.162 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839189 186261864 /nfs/dbraw/zinc/26/18/64/186261864.db2.gz ALDORJLYOGHPAB-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000191839189 186261866 /nfs/dbraw/zinc/26/18/66/186261866.db2.gz ALDORJLYOGHPAB-QFBILLFUSA-N 2 2 302.462 3.056 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@H](C)C1 ZINC000173363142 198207377 /nfs/dbraw/zinc/20/73/77/198207377.db2.gz FAGNUHIPZCZXTO-OCCSQVGLSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccco3)n2)[C@H](C)C1 ZINC000173363142 198207379 /nfs/dbraw/zinc/20/73/79/198207379.db2.gz FAGNUHIPZCZXTO-OCCSQVGLSA-N 2 2 305.447 3.223 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1SC ZINC000277136012 213319162 /nfs/dbraw/zinc/31/91/62/213319162.db2.gz ISYQZBQPXZPTCP-HNNXBMFYSA-N 2 2 308.491 3.333 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1SC ZINC000277136012 213319165 /nfs/dbraw/zinc/31/91/65/213319165.db2.gz ISYQZBQPXZPTCP-HNNXBMFYSA-N 2 2 308.491 3.333 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2sccc2Br)C1 ZINC000173891007 198265068 /nfs/dbraw/zinc/26/50/68/198265068.db2.gz LQKHQSDSKJHSQP-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sccc2Br)C1 ZINC000173891007 198265070 /nfs/dbraw/zinc/26/50/70/198265070.db2.gz LQKHQSDSKJHSQP-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000173891007 198265072 /nfs/dbraw/zinc/26/50/72/198265072.db2.gz LQKHQSDSKJHSQP-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000173891007 198265074 /nfs/dbraw/zinc/26/50/74/198265074.db2.gz LQKHQSDSKJHSQP-NSHDSACASA-N 2 2 317.296 3.284 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131303311 432034800 /nfs/dbraw/zinc/03/48/00/432034800.db2.gz AKUVGZILUKAXEY-QZTJIDSGSA-N 2 2 302.462 3.100 20 0 DGADLP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131303311 432034802 /nfs/dbraw/zinc/03/48/02/432034802.db2.gz AKUVGZILUKAXEY-QZTJIDSGSA-N 2 2 302.462 3.100 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000163591395 432035673 /nfs/dbraw/zinc/03/56/73/432035673.db2.gz CAUDWQAXZIFUMV-KRWDZBQOSA-N 2 2 308.853 3.073 20 0 DGADLP COc1ccc([C@@H](CNc2cccc(C)[nH+]2)[NH+](C)C)cc1OC ZINC000277042973 213258456 /nfs/dbraw/zinc/25/84/56/213258456.db2.gz GBTUGOPZBCTBEL-OAHLLOKOSA-N 2 2 315.417 3.122 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025695 213247798 /nfs/dbraw/zinc/24/77/98/213247798.db2.gz AUAZKULWZPZVFG-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025695 213247802 /nfs/dbraw/zinc/24/78/02/213247802.db2.gz AUAZKULWZPZVFG-IRXDYDNUSA-N 2 2 317.477 3.047 20 0 DGADLP COC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000481725378 292838196 /nfs/dbraw/zinc/83/81/96/292838196.db2.gz DPKLPDBHGUZPSD-RTBURBONSA-N 2 2 304.478 3.393 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277019684 213243800 /nfs/dbraw/zinc/24/38/00/213243800.db2.gz AIDZMNUUNCCUPL-HOCLYGCPSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277019684 213243804 /nfs/dbraw/zinc/24/38/04/213243804.db2.gz AIDZMNUUNCCUPL-HOCLYGCPSA-N 2 2 314.433 3.214 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)nc1 ZINC000179101856 432041111 /nfs/dbraw/zinc/04/11/11/432041111.db2.gz LKRGBFNXAOCEEE-LBPRGKRZSA-N 2 2 300.793 3.276 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)[nH+]1 ZINC000332654176 235246544 /nfs/dbraw/zinc/24/65/44/235246544.db2.gz ZOYBJLYWAXFDNP-HNNXBMFYSA-N 2 2 318.465 3.393 20 0 DGADLP Cc1cc(C)c(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)[nH+]1 ZINC000332654185 235247045 /nfs/dbraw/zinc/24/70/45/235247045.db2.gz ZOYBJLYWAXFDNP-OAHLLOKOSA-N 2 2 318.465 3.393 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000136502690 291084810 /nfs/dbraw/zinc/08/48/10/291084810.db2.gz LGXKISODHQDCGI-FRYIKTPZSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000136502690 291084811 /nfs/dbraw/zinc/08/48/11/291084811.db2.gz LGXKISODHQDCGI-FRYIKTPZSA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165980138 432058135 /nfs/dbraw/zinc/05/81/35/432058135.db2.gz HCGPRNFKJDNXJB-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC000165980138 432058137 /nfs/dbraw/zinc/05/81/37/432058137.db2.gz HCGPRNFKJDNXJB-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179568596 432062457 /nfs/dbraw/zinc/06/24/57/432062457.db2.gz JKTIDOVPDQETBI-UHFFFAOYSA-N 3 2 317.521 3.315 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179568596 432062460 /nfs/dbraw/zinc/06/24/60/432062460.db2.gz JKTIDOVPDQETBI-UHFFFAOYSA-N 3 2 317.521 3.315 20 0 DGADLP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000166898867 432062528 /nfs/dbraw/zinc/06/25/28/432062528.db2.gz MMNWLXQYZJPUOL-OLZOCXBDSA-N 2 2 312.417 3.286 20 0 DGADLP Cc1cc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc[nH+]1 ZINC000179792510 432070993 /nfs/dbraw/zinc/07/09/93/432070993.db2.gz LFSQFQMMDVCWPC-UHFFFAOYSA-N 2 2 324.428 3.048 20 0 DGADLP [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000168865287 432071147 /nfs/dbraw/zinc/07/11/47/432071147.db2.gz MXJSAEBBGXDRFH-QISBLDNZSA-N 2 2 323.396 3.186 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000134054917 432073127 /nfs/dbraw/zinc/07/31/27/432073127.db2.gz XRTSQFAOVHWPQT-VQIMIIECSA-N 2 2 304.478 3.474 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1Br ZINC000179632345 199067982 /nfs/dbraw/zinc/06/79/82/199067982.db2.gz IWNLEDHLLPUYOU-AWEZNQCLSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1Br ZINC000179632345 199067984 /nfs/dbraw/zinc/06/79/84/199067984.db2.gz IWNLEDHLLPUYOU-AWEZNQCLSA-N 2 2 311.267 3.141 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)[nH+]1 ZINC000180488890 199165786 /nfs/dbraw/zinc/16/57/86/199165786.db2.gz TYHQKFAASWFCSM-QGZVFWFLSA-N 2 2 306.413 3.411 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)[nH+]1 ZINC000180488890 199165788 /nfs/dbraw/zinc/16/57/88/199165788.db2.gz TYHQKFAASWFCSM-QGZVFWFLSA-N 2 2 306.413 3.411 20 0 DGADLP CC[C@@]1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000134604396 432080579 /nfs/dbraw/zinc/08/05/79/432080579.db2.gz JPLIWGOOZSDZOY-SFHVURJKSA-N 2 2 311.385 3.345 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180225833 432082256 /nfs/dbraw/zinc/08/22/56/432082256.db2.gz QTHHAXWBWWWQRC-GXTWGEPZSA-N 2 2 312.379 3.463 20 0 DGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000180225833 432082258 /nfs/dbraw/zinc/08/22/58/432082258.db2.gz QTHHAXWBWWWQRC-GXTWGEPZSA-N 2 2 312.379 3.463 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1sccc1Br)C1CCCC1 ZINC000415063154 237045059 /nfs/dbraw/zinc/04/50/59/237045059.db2.gz GWVMMPMGWHVKRD-NSHDSACASA-N 2 2 303.269 3.118 20 0 DGADLP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415038374 237027733 /nfs/dbraw/zinc/02/77/33/237027733.db2.gz NHSAOINBFGGOGZ-MAUKXSAKSA-N 3 2 321.896 3.021 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000415043229 237030914 /nfs/dbraw/zinc/03/09/14/237030914.db2.gz ANWYIGSRDVIFIN-LBPRGKRZSA-N 2 2 317.296 3.426 20 0 DGADLP Cc1cccn2c(CN3C[C@H](C)[NH2+]Cc4ccccc43)c[nH+]c12 ZINC000415108204 237083797 /nfs/dbraw/zinc/08/37/97/237083797.db2.gz WQOXQZGOMPHVKA-HNNXBMFYSA-N 2 2 306.413 3.141 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1c1cccc(F)c1 ZINC000415130610 237101885 /nfs/dbraw/zinc/10/18/85/237101885.db2.gz XKAVMFVPEKRJSN-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1c1cccc(F)c1 ZINC000415130610 237101892 /nfs/dbraw/zinc/10/18/92/237101892.db2.gz XKAVMFVPEKRJSN-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415139485 237109130 /nfs/dbraw/zinc/10/91/30/237109130.db2.gz XCHAKNGZXYGBLQ-IEBWSBKVSA-N 3 2 315.505 3.148 20 0 DGADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423204814 293915262 /nfs/dbraw/zinc/91/52/62/293915262.db2.gz OQLGAJSRUMJCIY-RNCFNFMXSA-N 2 2 315.642 3.041 20 0 DGADLP C[C@@H]1CC[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550590 200264993 /nfs/dbraw/zinc/26/49/93/200264993.db2.gz JZVVSXVXPBUSIR-APWZRJJASA-N 2 2 302.462 3.150 20 0 DGADLP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000188550590 200264995 /nfs/dbraw/zinc/26/49/95/200264995.db2.gz JZVVSXVXPBUSIR-APWZRJJASA-N 2 2 302.462 3.150 20 0 DGADLP FC(F)(F)c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420329920 237696743 /nfs/dbraw/zinc/69/67/43/237696743.db2.gz AJNNRQGGIADWJA-LLVKDONJSA-N 2 2 319.396 3.126 20 0 DGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000237908145 202387747 /nfs/dbraw/zinc/38/77/47/202387747.db2.gz ZQSMWIMIMDQZRK-UONOGXRCSA-N 2 2 311.385 3.330 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1OC(F)F ZINC000422798846 237799217 /nfs/dbraw/zinc/79/92/17/237799217.db2.gz TVHTWAOAOQCGBG-BBRMVZONSA-N 2 2 320.383 3.336 20 0 DGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000449176483 296007832 /nfs/dbraw/zinc/00/78/32/296007832.db2.gz MUIYRYILJYUHHM-KSSFIOAISA-N 2 2 318.486 3.391 20 0 DGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cnn1C(C)(C)C ZINC000423392407 237846300 /nfs/dbraw/zinc/84/63/00/237846300.db2.gz QKCAXJCIBAJGLQ-CJNGLKHVSA-N 2 2 306.498 3.375 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423505107 237855076 /nfs/dbraw/zinc/85/50/76/237855076.db2.gz HFHMATZJPMJNIL-RYGJVYDSSA-N 2 2 324.472 3.404 20 0 DGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281199768 216148065 /nfs/dbraw/zinc/14/80/65/216148065.db2.gz CIUUOEDSLLDIDU-AWEZNQCLSA-N 2 2 323.868 3.085 20 0 DGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281199768 216148067 /nfs/dbraw/zinc/14/80/67/216148067.db2.gz CIUUOEDSLLDIDU-AWEZNQCLSA-N 2 2 323.868 3.085 20 0 DGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134896385 432089428 /nfs/dbraw/zinc/08/94/28/432089428.db2.gz AEPKRTZNIGMWBL-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134896385 432089431 /nfs/dbraw/zinc/08/94/31/432089431.db2.gz AEPKRTZNIGMWBL-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000134896385 432089432 /nfs/dbraw/zinc/08/94/32/432089432.db2.gz AEPKRTZNIGMWBL-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000134896385 432089435 /nfs/dbraw/zinc/08/94/35/432089435.db2.gz AEPKRTZNIGMWBL-GDBMZVCRSA-N 2 2 305.853 3.184 20 0 DGADLP COCC(C)(C)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000430216493 238071424 /nfs/dbraw/zinc/07/14/24/238071424.db2.gz IRGHSIVMXAUMOY-AEFFLSMTSA-N 2 2 304.478 3.159 20 0 DGADLP COCC(C)(C)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000430216493 238071426 /nfs/dbraw/zinc/07/14/26/238071426.db2.gz IRGHSIVMXAUMOY-AEFFLSMTSA-N 2 2 304.478 3.159 20 0 DGADLP Clc1ccc(OCC2CC2)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000430007492 238064172 /nfs/dbraw/zinc/06/41/72/238064172.db2.gz RVQVKSVRWHAUGW-UHFFFAOYSA-N 2 2 305.809 3.115 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H]1C[NH3+] ZINC000430574136 238080459 /nfs/dbraw/zinc/08/04/59/238080459.db2.gz ILCDRHFDLJGMGH-SJCJKPOMSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)[C@H]1C[NH3+] ZINC000430574136 238080460 /nfs/dbraw/zinc/08/04/60/238080460.db2.gz ILCDRHFDLJGMGH-SJCJKPOMSA-N 2 2 303.381 3.040 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433333152 238156205 /nfs/dbraw/zinc/15/62/05/238156205.db2.gz FOYYFNNSUHSTGY-GASCZTMLSA-N 2 2 316.449 3.127 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433333152 238156206 /nfs/dbraw/zinc/15/62/06/238156206.db2.gz FOYYFNNSUHSTGY-GASCZTMLSA-N 2 2 316.449 3.127 20 0 DGADLP C[NH+](C)C1(CNc2cc(N3CCCC3)[nH+]cn2)CCCCCC1 ZINC000433620833 238163184 /nfs/dbraw/zinc/16/31/84/238163184.db2.gz BTJLTYGXWGWREG-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP Cc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)c(C)c1 ZINC000434664409 238226090 /nfs/dbraw/zinc/22/60/90/238226090.db2.gz UWWPBHOKKBNQLU-UHFFFAOYSA-N 2 2 301.459 3.350 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000271922681 209326969 /nfs/dbraw/zinc/32/69/69/209326969.db2.gz KNFGLXSXOZBTRF-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000271922681 209326971 /nfs/dbraw/zinc/32/69/71/209326971.db2.gz KNFGLXSXOZBTRF-KRWDZBQOSA-N 2 2 317.477 3.034 20 0 DGADLP C[C@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589630 238657989 /nfs/dbraw/zinc/65/79/89/238657989.db2.gz KVBKTLMUVWNLSS-CVEARBPZSA-N 2 2 320.452 3.114 20 0 DGADLP C[C@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000437589630 238657994 /nfs/dbraw/zinc/65/79/94/238657994.db2.gz KVBKTLMUVWNLSS-CVEARBPZSA-N 2 2 320.452 3.114 20 0 DGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000275706142 212493733 /nfs/dbraw/zinc/49/37/33/212493733.db2.gz LQQSPPAVLCQLSD-HNNXBMFYSA-N 2 2 317.477 3.040 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441360433 239041547 /nfs/dbraw/zinc/04/15/47/239041547.db2.gz SRRRHEVVQZTZIU-FUHWJXTLSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441360433 239041553 /nfs/dbraw/zinc/04/15/53/239041553.db2.gz SRRRHEVVQZTZIU-FUHWJXTLSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441360433 239041555 /nfs/dbraw/zinc/04/15/55/239041555.db2.gz SRRRHEVVQZTZIU-FUHWJXTLSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441360433 239041560 /nfs/dbraw/zinc/04/15/60/239041560.db2.gz SRRRHEVVQZTZIU-FUHWJXTLSA-N 2 2 317.477 3.128 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772835 432098685 /nfs/dbraw/zinc/09/86/85/432098685.db2.gz FNNGLRXNRYIZSH-RTBURBONSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772835 432098689 /nfs/dbraw/zinc/09/86/89/432098689.db2.gz FNNGLRXNRYIZSH-RTBURBONSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772866 432098890 /nfs/dbraw/zinc/09/88/90/432098890.db2.gz FNNGLRXNRYIZSH-RBUKOAKNSA-N 2 2 320.477 3.093 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000180772866 432098892 /nfs/dbraw/zinc/09/88/92/432098892.db2.gz FNNGLRXNRYIZSH-RBUKOAKNSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@H]1COCC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000195057998 201333233 /nfs/dbraw/zinc/33/32/33/201333233.db2.gz GYVXJWPJNVUBBD-HNAYVOBHSA-N 2 2 317.477 3.054 20 0 DGADLP Cn1c(NCCCc2[nH]c3ccccc3[nH+]2)[nH+]c2cccc(F)c21 ZINC000443511733 239206348 /nfs/dbraw/zinc/20/63/48/239206348.db2.gz QYWKVHIQTVRJPZ-UHFFFAOYSA-N 2 2 323.375 3.055 20 0 DGADLP c1ccc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCCC2)cc1 ZINC000444123766 239259241 /nfs/dbraw/zinc/25/92/41/239259241.db2.gz RXTGRUDPQQOBON-HXUWFJFHSA-N 2 2 318.424 3.301 20 0 DGADLP c1nn(-c2ccccc2)c2c1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000444580871 239300952 /nfs/dbraw/zinc/30/09/52/239300952.db2.gz DXGHSWSKHOEJJL-UHFFFAOYSA-N 2 2 324.472 3.106 20 0 DGADLP c1nn(-c2ccccc2)c2c1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000444580871 239300954 /nfs/dbraw/zinc/30/09/54/239300954.db2.gz DXGHSWSKHOEJJL-UHFFFAOYSA-N 2 2 324.472 3.106 20 0 DGADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000135165314 432103073 /nfs/dbraw/zinc/10/30/73/432103073.db2.gz ANAXXDMEQUBDEO-CYBMUJFWSA-N 2 2 302.447 3.166 20 0 DGADLP COc1cccc2c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc[nH+]c12 ZINC000275443980 212337004 /nfs/dbraw/zinc/33/70/04/212337004.db2.gz FSHRUOXVNUGSAT-CYBMUJFWSA-N 2 2 308.385 3.351 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000449078229 240007047 /nfs/dbraw/zinc/00/70/47/240007047.db2.gz XKMXGJHTCWKKOM-SFHVURJKSA-N 2 2 311.429 3.123 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1F ZINC000449168731 240049540 /nfs/dbraw/zinc/04/95/40/240049540.db2.gz DYTMOGDTIFNQPO-BEFAXECRSA-N 2 2 313.420 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1F ZINC000449168731 240049543 /nfs/dbraw/zinc/04/95/43/240049543.db2.gz DYTMOGDTIFNQPO-BEFAXECRSA-N 2 2 313.420 3.221 20 0 DGADLP COCC1CCC([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000449174563 240052654 /nfs/dbraw/zinc/05/26/54/240052654.db2.gz ZCGHQBDLASICAG-UHFFFAOYSA-N 2 2 313.445 3.476 20 0 DGADLP C[C@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1cc(F)cc(F)c1 ZINC000449178988 240054946 /nfs/dbraw/zinc/05/49/46/240054946.db2.gz USWNUWSTPXOMEZ-MLGOLLRUSA-N 2 2 314.445 3.095 20 0 DGADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)c2ccon2)CC1 ZINC000449234264 240081580 /nfs/dbraw/zinc/08/15/80/240081580.db2.gz BAAROKUKFFPREI-HZPDHXFCSA-N 2 2 313.445 3.421 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352143 240150279 /nfs/dbraw/zinc/15/02/79/240150279.db2.gz ULCPOLRSYYJMET-CYBMUJFWSA-N 2 2 307.825 3.429 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449389330 240172160 /nfs/dbraw/zinc/17/21/60/240172160.db2.gz RZAZLFRWQSXDOU-GPANFISMSA-N 2 2 322.880 3.022 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000449389330 240172162 /nfs/dbraw/zinc/17/21/62/240172162.db2.gz RZAZLFRWQSXDOU-GPANFISMSA-N 2 2 322.880 3.022 20 0 DGADLP Cc1ccc(CCC[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c[nH+]1 ZINC000449388420 240172470 /nfs/dbraw/zinc/17/24/70/240172470.db2.gz ZRZTVSACPJMOTO-IBGZPJMESA-N 3 2 303.494 3.423 20 0 DGADLP CCC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)(C)C ZINC000449471894 240227934 /nfs/dbraw/zinc/22/79/34/240227934.db2.gz PMVFJIWCFHVOGU-MRXNPFEDSA-N 2 2 312.498 3.208 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000449480676 240232969 /nfs/dbraw/zinc/23/29/69/240232969.db2.gz PBFKDHZDDBOTTA-YEWWUXTCSA-N 2 2 322.880 3.142 20 0 DGADLP COC[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000449480676 240232976 /nfs/dbraw/zinc/23/29/76/240232976.db2.gz PBFKDHZDDBOTTA-YEWWUXTCSA-N 2 2 322.880 3.142 20 0 DGADLP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449491232 240240436 /nfs/dbraw/zinc/24/04/36/240240436.db2.gz FXTLTORBUYJSNQ-HNNXBMFYSA-N 2 2 309.404 3.071 20 0 DGADLP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449489169 240240572 /nfs/dbraw/zinc/24/05/72/240240572.db2.gz OTMASTJOKLMQOP-YLJYHZDGSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449489169 240240576 /nfs/dbraw/zinc/24/05/76/240240576.db2.gz OTMASTJOKLMQOP-YLJYHZDGSA-N 2 2 323.484 3.433 20 0 DGADLP C[NH+](C)Cc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1F ZINC000135205138 432105197 /nfs/dbraw/zinc/10/51/97/432105197.db2.gz KAQMVWHOXBYSHJ-UHFFFAOYSA-N 2 2 300.381 3.167 20 0 DGADLP CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000449509425 240256650 /nfs/dbraw/zinc/25/66/50/240256650.db2.gz OOWQGMIPDMXMLJ-MOPGFXCFSA-N 2 2 315.461 3.251 20 0 DGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H](C)O ZINC000449547735 240277931 /nfs/dbraw/zinc/27/79/31/240277931.db2.gz YPEGQKSVIZDCSY-CXAGYDPISA-N 2 2 310.869 3.053 20 0 DGADLP Cc1ccc(F)c(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000449557947 240288473 /nfs/dbraw/zinc/28/84/73/240288473.db2.gz WSVDDQISMSEZNM-UHFFFAOYSA-N 2 2 313.420 3.330 20 0 DGADLP CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629494 240330728 /nfs/dbraw/zinc/33/07/28/240330728.db2.gz FWVKRFIODAKYII-ZWKOTPCHSA-N 2 2 311.429 3.262 20 0 DGADLP CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC000449629494 240330737 /nfs/dbraw/zinc/33/07/37/240330737.db2.gz FWVKRFIODAKYII-ZWKOTPCHSA-N 2 2 311.429 3.262 20 0 DGADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCC1 ZINC000449740946 240395231 /nfs/dbraw/zinc/39/52/31/240395231.db2.gz RXIKGPARQJQAGS-SFHVURJKSA-N 2 2 322.880 3.055 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000091959683 193133243 /nfs/dbraw/zinc/13/32/43/193133243.db2.gz BHVMBABRIGKNBO-YJBOKZPZSA-N 2 2 321.428 3.356 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000091959683 193133245 /nfs/dbraw/zinc/13/32/45/193133245.db2.gz BHVMBABRIGKNBO-YJBOKZPZSA-N 2 2 321.428 3.356 20 0 DGADLP CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451527414 241158877 /nfs/dbraw/zinc/15/88/77/241158877.db2.gz HKQMBJKPTWYBCO-QFBILLFUSA-N 2 2 313.445 3.428 20 0 DGADLP CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451527414 241158882 /nfs/dbraw/zinc/15/88/82/241158882.db2.gz HKQMBJKPTWYBCO-QFBILLFUSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451880270 241265309 /nfs/dbraw/zinc/26/53/09/241265309.db2.gz VGESEOWDCPTGFX-KRWDZBQOSA-N 2 2 309.417 3.295 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C(C)C)C2(CO)CCCC2)c[nH+]1 ZINC000453621107 241841663 /nfs/dbraw/zinc/84/16/63/241841663.db2.gz SYBDAWVRXXFBOB-GOSISDBHSA-N 2 2 304.478 3.490 20 0 DGADLP Cc1cc(C)c(NC(=O)NCCCNc2cccc[nH+]2)c(C)[nH+]1 ZINC000455473923 242209732 /nfs/dbraw/zinc/20/97/32/242209732.db2.gz KDOQOSLPJSOJIG-UHFFFAOYSA-N 2 2 313.405 3.026 20 0 DGADLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)C2CCCC2)c(C)[nH+]1 ZINC000455503691 242219726 /nfs/dbraw/zinc/21/97/26/242219726.db2.gz VXBIVYGNRJPFQW-UHFFFAOYSA-N 2 2 318.465 3.345 20 0 DGADLP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455508468 242221647 /nfs/dbraw/zinc/22/16/47/242221647.db2.gz FZWWKOBIYHLHNY-AWEZNQCLSA-N 2 2 306.454 3.249 20 0 DGADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455508468 242221651 /nfs/dbraw/zinc/22/16/51/242221651.db2.gz FZWWKOBIYHLHNY-AWEZNQCLSA-N 2 2 306.454 3.249 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1OC(F)F ZINC000423369637 299374752 /nfs/dbraw/zinc/37/47/52/299374752.db2.gz GBNXUPPBTBRNCW-OPQQBVKSSA-N 2 2 302.340 3.218 20 0 DGADLP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C2CC2)cc1 ZINC000091344348 284000403 /nfs/dbraw/zinc/00/04/03/284000403.db2.gz LDNTUQDYLXPKGD-LPHOPBHVSA-N 2 2 302.462 3.004 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2OC)CC1 ZINC000092165619 193170190 /nfs/dbraw/zinc/17/01/90/193170190.db2.gz VTJNPXBSKJSDGK-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2OC)CC1 ZINC000092165619 193170192 /nfs/dbraw/zinc/17/01/92/193170192.db2.gz VTJNPXBSKJSDGK-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)no1 ZINC000459382852 243354525 /nfs/dbraw/zinc/35/45/25/243354525.db2.gz AMQDQCSTUMHVRG-CQSZACIVSA-N 2 2 305.447 3.046 20 0 DGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)no1 ZINC000459382852 243354527 /nfs/dbraw/zinc/35/45/27/243354527.db2.gz AMQDQCSTUMHVRG-CQSZACIVSA-N 2 2 305.447 3.046 20 0 DGADLP c1cc(N2CCC(Nc3c[nH+]c4c(c3)CCCC4)CC2)cc[nH+]1 ZINC000459465302 243380936 /nfs/dbraw/zinc/38/09/36/243380936.db2.gz NZNFRLHGDWQLRX-UHFFFAOYSA-N 2 2 308.429 3.436 20 0 DGADLP Clc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1Br ZINC000181233677 432118515 /nfs/dbraw/zinc/11/85/15/432118515.db2.gz XIIUSUHFADTJPQ-UHFFFAOYSA-N 2 2 317.658 3.288 20 0 DGADLP C[NH+](C)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000113997535 284106033 /nfs/dbraw/zinc/10/60/33/284106033.db2.gz TZUAPBWHFUBDDD-UHFFFAOYSA-N 2 2 304.478 3.389 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468556437 244052126 /nfs/dbraw/zinc/05/21/26/244052126.db2.gz SRESVADIWZNHSE-YLJYHZDGSA-N 2 2 316.489 3.303 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468556437 244052134 /nfs/dbraw/zinc/05/21/34/244052134.db2.gz SRESVADIWZNHSE-YLJYHZDGSA-N 2 2 316.489 3.303 20 0 DGADLP COC[C@@H](C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469075161 244083509 /nfs/dbraw/zinc/08/35/09/244083509.db2.gz QIAKWDOLABNSMF-QAPCUYQASA-N 2 2 304.478 3.084 20 0 DGADLP COC[C@@H](C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469075161 244083512 /nfs/dbraw/zinc/08/35/12/244083512.db2.gz QIAKWDOLABNSMF-QAPCUYQASA-N 2 2 304.478 3.084 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000470010165 244139319 /nfs/dbraw/zinc/13/93/19/244139319.db2.gz UXHKCJPMEYMBBR-CQSZACIVSA-N 2 2 312.404 3.336 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2OC(F)F)C1 ZINC000470010165 244139322 /nfs/dbraw/zinc/13/93/22/244139322.db2.gz UXHKCJPMEYMBBR-CQSZACIVSA-N 2 2 312.404 3.336 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000470359649 244168306 /nfs/dbraw/zinc/16/83/06/244168306.db2.gz RJOHGRCGWFDUDN-CABCVRRESA-N 2 2 310.869 3.144 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055181 212097573 /nfs/dbraw/zinc/09/75/73/212097573.db2.gz UPPHCCNKIHEPBG-ZWNOBZJWSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055181 212097575 /nfs/dbraw/zinc/09/75/75/212097575.db2.gz UPPHCCNKIHEPBG-ZWNOBZJWSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)cs1 ZINC000275055181 212097576 /nfs/dbraw/zinc/09/75/76/212097576.db2.gz UPPHCCNKIHEPBG-ZWNOBZJWSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)cs1 ZINC000275055181 212097577 /nfs/dbraw/zinc/09/75/77/212097577.db2.gz UPPHCCNKIHEPBG-ZWNOBZJWSA-N 2 2 317.296 3.283 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000473992826 244359529 /nfs/dbraw/zinc/35/95/29/244359529.db2.gz FSBBLFFRGKCUBQ-RDJZCZTQSA-N 2 2 302.462 3.499 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000473992826 244359532 /nfs/dbraw/zinc/35/95/32/244359532.db2.gz FSBBLFFRGKCUBQ-RDJZCZTQSA-N 2 2 302.462 3.499 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474077411 244368138 /nfs/dbraw/zinc/36/81/38/244368138.db2.gz BTXQJQPFXBIEKI-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP CCOC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474077411 244368141 /nfs/dbraw/zinc/36/81/41/244368141.db2.gz BTXQJQPFXBIEKI-UHOSZYNNSA-N 2 2 304.478 3.158 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055176 212096396 /nfs/dbraw/zinc/09/63/96/212096396.db2.gz UPPHCCNKIHEPBG-GWCFXTLKSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cs1 ZINC000275055176 212096400 /nfs/dbraw/zinc/09/64/00/212096400.db2.gz UPPHCCNKIHEPBG-GWCFXTLKSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)cs1 ZINC000275055176 212096401 /nfs/dbraw/zinc/09/64/01/212096401.db2.gz UPPHCCNKIHEPBG-GWCFXTLKSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)cs1 ZINC000275055176 212096403 /nfs/dbraw/zinc/09/64/03/212096403.db2.gz UPPHCCNKIHEPBG-GWCFXTLKSA-N 2 2 317.296 3.283 20 0 DGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000262696724 203385569 /nfs/dbraw/zinc/38/55/69/203385569.db2.gz FETJVBBYAMPCDP-QGZVFWFLSA-N 2 2 300.406 3.286 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093692927 193291054 /nfs/dbraw/zinc/29/10/54/193291054.db2.gz NNWUHELAFJEACT-OAHLLOKOSA-N 2 2 316.449 3.142 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000093692927 193291056 /nfs/dbraw/zinc/29/10/56/193291056.db2.gz NNWUHELAFJEACT-OAHLLOKOSA-N 2 2 316.449 3.142 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422903055 296150553 /nfs/dbraw/zinc/15/05/53/296150553.db2.gz NXBOQGDJBXMUEQ-YWPYICTPSA-N 2 2 316.367 3.419 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1cc2c(s1)CCCC2)C[NH+]1CCOCC1 ZINC000484163834 244889932 /nfs/dbraw/zinc/88/99/32/244889932.db2.gz BSTQJVMAZHAXJC-HUUCEWRRSA-N 2 2 322.518 3.246 20 0 DGADLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000096245642 193598231 /nfs/dbraw/zinc/59/82/31/193598231.db2.gz GTCXNYVRKCCXEN-RTBURBONSA-N 2 2 310.416 3.390 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487579444 245078968 /nfs/dbraw/zinc/07/89/68/245078968.db2.gz WERAGMSQPCNEIZ-HMEHFPCLSA-N 2 2 307.441 3.205 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000487579444 245078972 /nfs/dbraw/zinc/07/89/72/245078972.db2.gz WERAGMSQPCNEIZ-HMEHFPCLSA-N 2 2 307.441 3.205 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488454685 245195440 /nfs/dbraw/zinc/19/54/40/245195440.db2.gz DQJIGOUPXZVWNW-NVXWUHKLSA-N 2 2 301.459 3.492 20 0 DGADLP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711760 245220930 /nfs/dbraw/zinc/22/09/30/245220930.db2.gz IPMMLFXOHSWWES-SQWLQELKSA-N 2 2 302.466 3.075 20 0 DGADLP Cc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000488711760 245220933 /nfs/dbraw/zinc/22/09/33/245220933.db2.gz IPMMLFXOHSWWES-SQWLQELKSA-N 2 2 302.466 3.075 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489805504 245350758 /nfs/dbraw/zinc/35/07/58/245350758.db2.gz YRMBCJNKTBVQNP-FUHIMQAGSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489805504 245350762 /nfs/dbraw/zinc/35/07/62/245350762.db2.gz YRMBCJNKTBVQNP-FUHIMQAGSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1nc(C[NH+]2CCC(CNc3cccc[nH+]3)CC2)oc1C ZINC000264712775 204096671 /nfs/dbraw/zinc/09/66/71/204096671.db2.gz GOGXIBIBHULLQD-UHFFFAOYSA-N 2 2 300.406 3.011 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489934346 245363625 /nfs/dbraw/zinc/36/36/25/245363625.db2.gz MEHNHEQTMIKQBQ-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489934346 245363629 /nfs/dbraw/zinc/36/36/29/245363629.db2.gz MEHNHEQTMIKQBQ-NZSAHSFTSA-N 2 2 304.478 3.300 20 0 DGADLP Cc1csc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000264720905 204103660 /nfs/dbraw/zinc/10/36/60/204103660.db2.gz HSVPPIFKDATZMF-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000264871876 204226334 /nfs/dbraw/zinc/22/63/34/204226334.db2.gz OTGHMTBBPKVTCU-KRWDZBQOSA-N 2 2 309.457 3.439 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000246373250 432124484 /nfs/dbraw/zinc/12/44/84/432124484.db2.gz JLMQZLXWZDGKEY-QFBILLFUSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000246373250 432124487 /nfs/dbraw/zinc/12/44/87/432124487.db2.gz JLMQZLXWZDGKEY-QFBILLFUSA-N 2 2 313.489 3.462 20 0 DGADLP Clc1ccc2nc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2c1 ZINC000264960733 204304241 /nfs/dbraw/zinc/30/42/41/204304241.db2.gz OBRABSLGIQORGE-UHFFFAOYSA-N 2 2 318.852 3.094 20 0 DGADLP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135563375 432126319 /nfs/dbraw/zinc/12/63/19/432126319.db2.gz TWBIHABCFUVCFS-SFHVURJKSA-N 2 2 321.428 3.115 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000282731915 217209700 /nfs/dbraw/zinc/20/97/00/217209700.db2.gz MPVFEUMXMPQLIA-NEWSRXKRSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000282731915 217209705 /nfs/dbraw/zinc/20/97/05/217209705.db2.gz MPVFEUMXMPQLIA-NEWSRXKRSA-N 2 2 304.478 3.302 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000491593821 245530377 /nfs/dbraw/zinc/53/03/77/245530377.db2.gz JVGQZHRAVOHROU-SNVBAGLBSA-N 2 2 305.249 3.289 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268766296 432128238 /nfs/dbraw/zinc/12/82/38/432128238.db2.gz NOYPBGYKIYLBAC-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268766296 432128242 /nfs/dbraw/zinc/12/82/42/432128242.db2.gz NOYPBGYKIYLBAC-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268766296 432128243 /nfs/dbraw/zinc/12/82/43/432128243.db2.gz NOYPBGYKIYLBAC-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268766296 432128247 /nfs/dbraw/zinc/12/82/47/432128247.db2.gz NOYPBGYKIYLBAC-UYAOXDASSA-N 3 2 317.521 3.217 20 0 DGADLP CCc1cc(NCCCn2cc[nH+]c2C)nc(-c2ccncc2)[nH+]1 ZINC000266253146 205216103 /nfs/dbraw/zinc/21/61/03/205216103.db2.gz NLIINJSBHACCSN-UHFFFAOYSA-N 2 2 322.416 3.108 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000020189376 182195500 /nfs/dbraw/zinc/19/55/00/182195500.db2.gz RJFZIBFNIRRENI-UHFFFAOYSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)[C@@H](C)C1 ZINC000246442360 432132675 /nfs/dbraw/zinc/13/26/75/432132675.db2.gz OQRZUYZJABINSP-CMPLNLGQSA-N 2 2 317.296 3.331 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2sccc2Br)[C@@H](C)C1 ZINC000246442360 432132679 /nfs/dbraw/zinc/13/26/79/432132679.db2.gz OQRZUYZJABINSP-CMPLNLGQSA-N 2 2 317.296 3.331 20 0 DGADLP O=C(/C=C/c1[nH]cc[nH+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000493611842 246023592 /nfs/dbraw/zinc/02/35/92/246023592.db2.gz MWHBGIYMJSZLNE-MDZDMXLPSA-N 2 2 324.428 3.438 20 0 DGADLP C[C@@H]1OCC[C@H]1[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061201 246107747 /nfs/dbraw/zinc/10/77/47/246107747.db2.gz UWEIUSGSIREJDE-KFKAGJAMSA-N 2 2 316.489 3.226 20 0 DGADLP C[C@@H]1OCC[C@H]1[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000494061201 246107751 /nfs/dbraw/zinc/10/77/51/246107751.db2.gz UWEIUSGSIREJDE-KFKAGJAMSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]Cc2cncc(F)c2)[NH+]2CCCC2)cc1 ZINC000494572666 246166072 /nfs/dbraw/zinc/16/60/72/246166072.db2.gz BOQDKMNGOWGXKD-LJQANCHMSA-N 2 2 313.420 3.456 20 0 DGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CC2 ZINC000494467715 246151777 /nfs/dbraw/zinc/15/17/77/246151777.db2.gz RQHWYJWXFDGNAW-MRXNPFEDSA-N 2 2 311.429 3.309 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2[nH+]1 ZINC000494641993 246174868 /nfs/dbraw/zinc/17/48/68/246174868.db2.gz IARATUBXZATWDE-ZDUSSCGKSA-N 2 2 314.433 3.376 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000494648705 246176052 /nfs/dbraw/zinc/17/60/52/246176052.db2.gz OCEQDORZVUYEGG-LIRRHRJNSA-N 2 2 311.473 3.345 20 0 DGADLP CCc1cccc2c(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000494648705 246176055 /nfs/dbraw/zinc/17/60/55/246176055.db2.gz OCEQDORZVUYEGG-LIRRHRJNSA-N 2 2 311.473 3.345 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495222536 246247834 /nfs/dbraw/zinc/24/78/34/246247834.db2.gz XCDAPTPQHYDCDY-MJGOQNOKSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495222536 246247838 /nfs/dbraw/zinc/24/78/38/246247838.db2.gz XCDAPTPQHYDCDY-MJGOQNOKSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495222536 246247839 /nfs/dbraw/zinc/24/78/39/246247839.db2.gz XCDAPTPQHYDCDY-MJGOQNOKSA-N 2 2 302.462 3.392 20 0 DGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495222536 246247843 /nfs/dbraw/zinc/24/78/43/246247843.db2.gz XCDAPTPQHYDCDY-MJGOQNOKSA-N 2 2 302.462 3.392 20 0 DGADLP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000135806948 432138055 /nfs/dbraw/zinc/13/80/55/432138055.db2.gz ZBTGQIIEDMCODS-UHFFFAOYSA-N 2 2 305.647 3.144 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3ccc(F)c(F)c3)n2c1 ZINC000190294121 432139808 /nfs/dbraw/zinc/13/98/08/432139808.db2.gz DDSBFRZQQPFIBN-UHFFFAOYSA-N 2 2 301.340 3.253 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268815416 432140836 /nfs/dbraw/zinc/14/08/36/432140836.db2.gz KERMVPBNFYTKBS-RLCCDNCMSA-N 2 2 306.450 3.435 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268815416 432140839 /nfs/dbraw/zinc/14/08/39/432140839.db2.gz KERMVPBNFYTKBS-RLCCDNCMSA-N 2 2 306.450 3.435 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000040592743 183106743 /nfs/dbraw/zinc/10/67/43/183106743.db2.gz LSBRFJNLXYGHCW-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000040592743 183106745 /nfs/dbraw/zinc/10/67/45/183106745.db2.gz LSBRFJNLXYGHCW-QWHCGFSZSA-N 2 2 311.267 3.442 20 0 DGADLP c1cc2nsnc2c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000269004032 432150114 /nfs/dbraw/zinc/15/01/14/432150114.db2.gz KRYVVKDWSQHGDS-HNNXBMFYSA-N 2 2 316.474 3.142 20 0 DGADLP c1cc2nsnc2c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000269004032 432150117 /nfs/dbraw/zinc/15/01/17/432150117.db2.gz KRYVVKDWSQHGDS-HNNXBMFYSA-N 2 2 316.474 3.142 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000043678355 183379382 /nfs/dbraw/zinc/37/93/82/183379382.db2.gz UKYFWMGMJUPVIU-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000043678355 183379383 /nfs/dbraw/zinc/37/93/83/183379383.db2.gz UKYFWMGMJUPVIU-UHFFFAOYSA-N 2 2 317.296 3.427 20 0 DGADLP COc1ncc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1Cl ZINC000284400525 218011121 /nfs/dbraw/zinc/01/11/21/218011121.db2.gz PRQHSIXEJQDBLN-LBPRGKRZSA-N 2 2 305.809 3.340 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000285057173 218273053 /nfs/dbraw/zinc/27/30/53/218273053.db2.gz ISQYTKNVEJQOCJ-YJBOKZPZSA-N 2 2 300.450 3.217 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000285057173 218273055 /nfs/dbraw/zinc/27/30/55/218273055.db2.gz ISQYTKNVEJQOCJ-YJBOKZPZSA-N 2 2 300.450 3.217 20 0 DGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000106388248 194205860 /nfs/dbraw/zinc/20/58/60/194205860.db2.gz NTKMELCJMVDCMN-UHFFFAOYSA-N 2 2 324.468 3.242 20 0 DGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000106388248 194205864 /nfs/dbraw/zinc/20/58/64/194205864.db2.gz NTKMELCJMVDCMN-UHFFFAOYSA-N 2 2 324.468 3.242 20 0 DGADLP CC(C)c1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc[nH+]1 ZINC000106462411 194217068 /nfs/dbraw/zinc/21/70/68/194217068.db2.gz LOSVGCFFEATBGC-CQSZACIVSA-N 2 2 300.406 3.442 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000237366299 284794515 /nfs/dbraw/zinc/79/45/15/284794515.db2.gz VEQHLVYWSIZGLR-JKSUJKDBSA-N 2 2 318.461 3.200 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2sccc2Br)CC[N@@H+]1C ZINC000156156937 197090781 /nfs/dbraw/zinc/09/07/81/197090781.db2.gz FQWRADDSAQXHDW-NXEZZACHSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2sccc2Br)CC[N@H+]1C ZINC000156156937 197090782 /nfs/dbraw/zinc/09/07/82/197090782.db2.gz FQWRADDSAQXHDW-NXEZZACHSA-N 2 2 303.269 3.083 20 0 DGADLP CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268849637 207017324 /nfs/dbraw/zinc/01/73/24/207017324.db2.gz CLIWLSZIBGTMSR-MRXNPFEDSA-N 2 2 310.869 3.055 20 0 DGADLP CCC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268863701 207033383 /nfs/dbraw/zinc/03/33/83/207033383.db2.gz GUOBLQSAJDFOAH-SFHVURJKSA-N 2 2 324.896 3.445 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896433 207064562 /nfs/dbraw/zinc/06/45/62/207064562.db2.gz KGQLZTZUSPSPOZ-MSOLQXFVSA-N 2 2 323.912 3.263 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896433 207064566 /nfs/dbraw/zinc/06/45/66/207064566.db2.gz KGQLZTZUSPSPOZ-MSOLQXFVSA-N 2 2 323.912 3.263 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000268911559 207078521 /nfs/dbraw/zinc/07/85/21/207078521.db2.gz YTWHVDRRUOMLPC-UHFFFAOYSA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCOCC3CC3)CC2)cc1 ZINC000268916053 207082132 /nfs/dbraw/zinc/08/21/32/207082132.db2.gz NUVYKKAFWQKKHL-UHFFFAOYSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268974273 207136357 /nfs/dbraw/zinc/13/63/57/207136357.db2.gz OHYHOIBYTYHJPT-BHIYHBOVSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268974273 207136361 /nfs/dbraw/zinc/13/63/61/207136361.db2.gz OHYHOIBYTYHJPT-BHIYHBOVSA-N 2 2 314.473 3.198 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC000268992408 207148774 /nfs/dbraw/zinc/14/87/74/207148774.db2.gz GTYLVVICVAYPOD-ALKREAHSSA-N 2 2 324.472 3.407 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000268992408 207148779 /nfs/dbraw/zinc/14/87/79/207148779.db2.gz GTYLVVICVAYPOD-ALKREAHSSA-N 2 2 324.472 3.407 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269029161 207178722 /nfs/dbraw/zinc/17/87/22/207178722.db2.gz RLJQRHBZFKNMRH-HNNXBMFYSA-N 3 2 323.912 3.234 20 0 DGADLP Brc1ccsc1C[NH2+]CCC[NH+]1CCCC1 ZINC000062072590 184204432 /nfs/dbraw/zinc/20/44/32/184204432.db2.gz YCYNQXTYQDUEJU-UHFFFAOYSA-N 2 2 303.269 3.086 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000269097831 207237258 /nfs/dbraw/zinc/23/72/58/207237258.db2.gz SGZOUXJJXWQQNC-INIZCTEOSA-N 2 2 321.428 3.420 20 0 DGADLP C[C@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000269128535 207263268 /nfs/dbraw/zinc/26/32/68/207263268.db2.gz HMJZGCFOBXQARJ-GJZGRUSLSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191695 184277073 /nfs/dbraw/zinc/27/70/73/184277073.db2.gz MZXJMUARFXWURX-BXUZGUMPSA-N 2 2 302.340 3.287 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000063191695 184277075 /nfs/dbraw/zinc/27/70/75/184277075.db2.gz MZXJMUARFXWURX-BXUZGUMPSA-N 2 2 302.340 3.287 20 0 DGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccsc3)[nH+]c2)CC1 ZINC000269160950 207283301 /nfs/dbraw/zinc/28/33/01/207283301.db2.gz URYNLWOQFANWKN-UHFFFAOYSA-N 2 2 316.474 3.286 20 0 DGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430601535 532982005 /nfs/dbraw/zinc/98/20/05/532982005.db2.gz ZVUFWLDINVMGPN-XJKSGUPXSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430601535 532982010 /nfs/dbraw/zinc/98/20/10/532982010.db2.gz ZVUFWLDINVMGPN-XJKSGUPXSA-N 2 2 323.506 3.041 20 0 DGADLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CCOC[C@H]2C)c2ccccc2)CC1 ZINC000248825015 285028143 /nfs/dbraw/zinc/02/81/43/285028143.db2.gz COONDGKHDNGNBE-YZGWKJHDSA-N 2 2 316.489 3.474 20 0 DGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000119925815 195064214 /nfs/dbraw/zinc/06/42/14/195064214.db2.gz DKGQLJSQPROETN-MCIONIFRSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@@H]1Cc2[nH+]cn(Cc3[nH+]ccn3CC(F)(F)F)c2C[C@H]1C ZINC000336863770 253012886 /nfs/dbraw/zinc/01/28/86/253012886.db2.gz CVKQSJPSRIWASW-GHMZBOCLSA-N 2 2 312.339 3.061 20 0 DGADLP CCn1nc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000336868110 253014417 /nfs/dbraw/zinc/01/44/17/253014417.db2.gz QQKQBSSLOPUWFJ-INIZCTEOSA-N 2 2 314.477 3.410 20 0 DGADLP CCn1nc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000336868110 253014419 /nfs/dbraw/zinc/01/44/19/253014419.db2.gz QQKQBSSLOPUWFJ-INIZCTEOSA-N 2 2 314.477 3.410 20 0 DGADLP COc1cccc(CCC[N@@H+]2C[C@H]([NH3+])[C@H](c3ccccc3)C2)c1 ZINC000337040805 253039164 /nfs/dbraw/zinc/03/91/64/253039164.db2.gz AZORGYXUIRHFQK-PMACEKPBSA-N 2 2 310.441 3.055 20 0 DGADLP COc1cccc(CCC[N@H+]2C[C@H]([NH3+])[C@H](c3ccccc3)C2)c1 ZINC000337040805 253039167 /nfs/dbraw/zinc/03/91/67/253039167.db2.gz AZORGYXUIRHFQK-PMACEKPBSA-N 2 2 310.441 3.055 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@H](C)CC3(C)C)c2cc1C ZINC000336872095 253015608 /nfs/dbraw/zinc/01/56/08/253015608.db2.gz OMMRWPKQFGDEME-CZUORRHYSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@H](C)CC3(C)C)c2cc1C ZINC000336872095 253015609 /nfs/dbraw/zinc/01/56/09/253015609.db2.gz OMMRWPKQFGDEME-CZUORRHYSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)CC3(C)C)c2cc1C ZINC000336872094 253016204 /nfs/dbraw/zinc/01/62/04/253016204.db2.gz OMMRWPKQFGDEME-CJNGLKHVSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)CC3(C)C)c2cc1C ZINC000336872094 253016206 /nfs/dbraw/zinc/01/62/06/253016206.db2.gz OMMRWPKQFGDEME-CJNGLKHVSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCC[C@H]3C)c2cc1C ZINC000249727779 285085315 /nfs/dbraw/zinc/08/53/15/285085315.db2.gz RDDPZRVXJLDPRR-XYPHTWIQSA-N 2 2 315.461 3.182 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@@H+]1C1CC1 ZINC000337308763 253083736 /nfs/dbraw/zinc/08/37/36/253083736.db2.gz VDESLGRHZQQNDV-BBRMVZONSA-N 2 2 315.436 3.454 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@H+]1C1CC1 ZINC000337308763 253083737 /nfs/dbraw/zinc/08/37/37/253083737.db2.gz VDESLGRHZQQNDV-BBRMVZONSA-N 2 2 315.436 3.454 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@@H+]1C1CC1 ZINC000337308765 253083781 /nfs/dbraw/zinc/08/37/81/253083781.db2.gz VDESLGRHZQQNDV-CZUORRHYSA-N 2 2 315.436 3.454 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C[N@H+]1C1CC1 ZINC000337308765 253083784 /nfs/dbraw/zinc/08/37/84/253083784.db2.gz VDESLGRHZQQNDV-CZUORRHYSA-N 2 2 315.436 3.454 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOCC(C)C ZINC000337318699 253085109 /nfs/dbraw/zinc/08/51/09/253085109.db2.gz MVWKRSNFRVOSNE-KRWDZBQOSA-N 2 2 315.461 3.482 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOCC(C)C ZINC000337318699 253085111 /nfs/dbraw/zinc/08/51/11/253085111.db2.gz MVWKRSNFRVOSNE-KRWDZBQOSA-N 2 2 315.461 3.482 20 0 DGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1OC ZINC000337391926 253104775 /nfs/dbraw/zinc/10/47/75/253104775.db2.gz LJZGVJNJFLUZCZ-MRXNPFEDSA-N 2 2 320.477 3.019 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1C ZINC000337417757 253111723 /nfs/dbraw/zinc/11/17/23/253111723.db2.gz DQLRMJGVGRNISM-OWCLPIDISA-N 2 2 304.482 3.032 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1C ZINC000337417757 253111725 /nfs/dbraw/zinc/11/17/25/253111725.db2.gz DQLRMJGVGRNISM-OWCLPIDISA-N 2 2 304.482 3.032 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337459129 253119789 /nfs/dbraw/zinc/11/97/89/253119789.db2.gz JWULIGYEYSXVAE-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337459129 253119791 /nfs/dbraw/zinc/11/97/91/253119791.db2.gz JWULIGYEYSXVAE-XUVXKRRUSA-N 2 2 316.489 3.446 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCSC1 ZINC000337344150 253092629 /nfs/dbraw/zinc/09/26/29/253092629.db2.gz SWNWZJPDIQPHPS-JQHSSLGASA-N 2 2 319.518 3.135 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCSC1 ZINC000337344152 253092908 /nfs/dbraw/zinc/09/29/08/253092908.db2.gz SWNWZJPDIQPHPS-NXHRZFHOSA-N 2 2 319.518 3.135 20 0 DGADLP C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338003741 253207767 /nfs/dbraw/zinc/20/77/67/253207767.db2.gz NNBPBECIWPORDY-KFWWJZLASA-N 2 2 312.417 3.072 20 0 DGADLP CC[NH+]1CCC([N@H+](C)C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000338305928 253261263 /nfs/dbraw/zinc/26/12/63/253261263.db2.gz NQUMSQHCSSMWAZ-KRWDZBQOSA-N 2 2 310.869 3.444 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000338305928 253261264 /nfs/dbraw/zinc/26/12/64/253261264.db2.gz NQUMSQHCSSMWAZ-KRWDZBQOSA-N 2 2 310.869 3.444 20 0 DGADLP Clc1cc2c(c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c1)OCC2 ZINC000273017017 210397870 /nfs/dbraw/zinc/39/78/70/210397870.db2.gz YMYDQNDUUISTGW-UHFFFAOYSA-N 2 2 317.820 3.378 20 0 DGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)[C@@H](C)OC)ccc2n1C1CC1 ZINC000338790196 253351708 /nfs/dbraw/zinc/35/17/08/253351708.db2.gz WSTZXUYDBCYAJA-CHWSQXEVSA-N 2 2 301.434 3.447 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000158549950 197282708 /nfs/dbraw/zinc/28/27/08/197282708.db2.gz DWPJWCGFBWUBBT-OXQOHEQNSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000158549950 197282710 /nfs/dbraw/zinc/28/27/10/197282710.db2.gz DWPJWCGFBWUBBT-OXQOHEQNSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000158549950 197282712 /nfs/dbraw/zinc/28/27/12/197282712.db2.gz DWPJWCGFBWUBBT-OXQOHEQNSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000158549950 197282714 /nfs/dbraw/zinc/28/27/14/197282714.db2.gz DWPJWCGFBWUBBT-OXQOHEQNSA-N 2 2 309.457 3.459 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H]1Oc1ccccc1 ZINC000342571029 254010873 /nfs/dbraw/zinc/01/08/73/254010873.db2.gz BPZQLTLPIYLWBY-UAGQMJEPSA-N 2 2 311.429 3.034 20 0 DGADLP CCc1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000342665488 254029031 /nfs/dbraw/zinc/02/90/31/254029031.db2.gz CZLBGCZXTKNWKT-UHFFFAOYSA-N 2 2 316.424 3.055 20 0 DGADLP C[N@H+](CCOc1ccc(Cl)cc1)Cc1cccc2[nH+]ccn21 ZINC000342679866 254031555 /nfs/dbraw/zinc/03/15/55/254031555.db2.gz GJCHEGQTSMMNOT-UHFFFAOYSA-N 2 2 315.804 3.499 20 0 DGADLP C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cccc2[nH+]ccn21 ZINC000342679866 254031557 /nfs/dbraw/zinc/03/15/57/254031557.db2.gz GJCHEGQTSMMNOT-UHFFFAOYSA-N 2 2 315.804 3.499 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000342739736 254040554 /nfs/dbraw/zinc/04/05/54/254040554.db2.gz QHOHVFZZJGYACC-KZNAEPCWSA-N 2 2 301.478 3.490 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000342739736 254040557 /nfs/dbraw/zinc/04/05/57/254040557.db2.gz QHOHVFZZJGYACC-KZNAEPCWSA-N 2 2 301.478 3.490 20 0 DGADLP Cc1c[nH+]c(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000342774471 254047349 /nfs/dbraw/zinc/04/73/49/254047349.db2.gz FLHSQSUZTSUTDE-INIZCTEOSA-N 2 2 318.509 3.205 20 0 DGADLP Cc1c[nH+]c(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C ZINC000342774471 254047352 /nfs/dbraw/zinc/04/73/52/254047352.db2.gz FLHSQSUZTSUTDE-INIZCTEOSA-N 2 2 318.509 3.205 20 0 DGADLP COc1cccc(C2([NH2+]Cc3c[nH+]c4ccc(C)cn34)CC2)c1 ZINC000157571336 197198909 /nfs/dbraw/zinc/19/89/09/197198909.db2.gz DUIQARDKKSJIRU-UHFFFAOYSA-N 2 2 307.397 3.430 20 0 DGADLP OCC1(C[N@H+](Cc2ccccc2)Cc2cccc3[nH+]ccn32)CC1 ZINC000342839763 254063339 /nfs/dbraw/zinc/06/33/39/254063339.db2.gz JPOTYXDNEUDPQZ-UHFFFAOYSA-N 2 2 321.424 3.109 20 0 DGADLP OCC1(C[N@@H+](Cc2ccccc2)Cc2cccc3[nH+]ccn32)CC1 ZINC000342839763 254063341 /nfs/dbraw/zinc/06/33/41/254063341.db2.gz JPOTYXDNEUDPQZ-UHFFFAOYSA-N 2 2 321.424 3.109 20 0 DGADLP C[C@@H](CCn1cccn1)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000157528469 197193893 /nfs/dbraw/zinc/19/38/93/197193893.db2.gz XFJVKGXDDHCAFS-HKUYNNGSSA-N 2 2 312.461 3.088 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@H]1C)CCS2 ZINC000343467418 254148525 /nfs/dbraw/zinc/14/85/25/254148525.db2.gz MHPVPTDDYPXTAY-JLZZUVOBSA-N 2 2 318.486 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@H]1C)CCS2 ZINC000343467418 254148527 /nfs/dbraw/zinc/14/85/27/254148527.db2.gz MHPVPTDDYPXTAY-JLZZUVOBSA-N 2 2 318.486 3.304 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000343600331 254165899 /nfs/dbraw/zinc/16/58/99/254165899.db2.gz FWKJYDUDLQFTOA-UHFFFAOYSA-N 2 2 307.438 3.101 20 0 DGADLP C[C@H](C[NH2+]Cc1cccc(-c2ccncc2)c1)Cn1cc[nH+]c1 ZINC000343794725 254189571 /nfs/dbraw/zinc/18/95/71/254189571.db2.gz PMRYQJKLGDOUGF-MRXNPFEDSA-N 2 2 306.413 3.371 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827907 254193204 /nfs/dbraw/zinc/19/32/04/254193204.db2.gz FGHBSGWPSGTYNZ-GUBZILKMSA-N 2 2 307.385 3.295 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000343827907 254193205 /nfs/dbraw/zinc/19/32/05/254193205.db2.gz FGHBSGWPSGTYNZ-GUBZILKMSA-N 2 2 307.385 3.295 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000343897469 254200657 /nfs/dbraw/zinc/20/06/57/254200657.db2.gz XZVQFFHTKROODS-NHYWBVRUSA-N 2 2 316.367 3.144 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000343897469 254200658 /nfs/dbraw/zinc/20/06/58/254200658.db2.gz XZVQFFHTKROODS-NHYWBVRUSA-N 2 2 316.367 3.144 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC000343897468 254200823 /nfs/dbraw/zinc/20/08/23/254200823.db2.gz XZVQFFHTKROODS-IAQYHMDHSA-N 2 2 316.367 3.144 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)C1 ZINC000343897468 254200825 /nfs/dbraw/zinc/20/08/25/254200825.db2.gz XZVQFFHTKROODS-IAQYHMDHSA-N 2 2 316.367 3.144 20 0 DGADLP COC(=O)c1ccc([C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000157340803 197181192 /nfs/dbraw/zinc/18/11/92/197181192.db2.gz BYLQEIUJMFUWIJ-GJZGRUSLSA-N 2 2 320.433 3.078 20 0 DGADLP COC(=O)c1ccc([C@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000157340803 197181195 /nfs/dbraw/zinc/18/11/95/197181195.db2.gz BYLQEIUJMFUWIJ-GJZGRUSLSA-N 2 2 320.433 3.078 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CCC2)cc1 ZINC000344297562 254252756 /nfs/dbraw/zinc/25/27/56/254252756.db2.gz OKDLBWSGBMCMRE-WBVHZDCISA-N 2 2 314.473 3.332 20 0 DGADLP COc1ccc(C2(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CCC2)cc1 ZINC000344297562 254252758 /nfs/dbraw/zinc/25/27/58/254252758.db2.gz OKDLBWSGBMCMRE-WBVHZDCISA-N 2 2 314.473 3.332 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344291588 254251918 /nfs/dbraw/zinc/25/19/18/254251918.db2.gz NCPUXWZPJYDJQQ-QRQLOZEOSA-N 2 2 316.489 3.209 20 0 DGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344291588 254251919 /nfs/dbraw/zinc/25/19/19/254251919.db2.gz NCPUXWZPJYDJQQ-QRQLOZEOSA-N 2 2 316.489 3.209 20 0 DGADLP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157086822 197161342 /nfs/dbraw/zinc/16/13/42/197161342.db2.gz CZHLITPHBVRPDN-MRXNPFEDSA-N 2 2 312.461 3.024 20 0 DGADLP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157086822 197161344 /nfs/dbraw/zinc/16/13/44/197161344.db2.gz CZHLITPHBVRPDN-MRXNPFEDSA-N 2 2 312.461 3.024 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)sc1Br ZINC000344690218 254296080 /nfs/dbraw/zinc/29/60/80/254296080.db2.gz WMGDYYLFPIPALC-GHMZBOCLSA-N 2 2 317.296 3.391 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)sc1Br ZINC000344690218 254296082 /nfs/dbraw/zinc/29/60/82/254296082.db2.gz WMGDYYLFPIPALC-GHMZBOCLSA-N 2 2 317.296 3.391 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@@H+]1C ZINC000344320425 254256181 /nfs/dbraw/zinc/25/61/81/254256181.db2.gz CJAJMOIRHPHDSI-MLGOLLRUSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCC[N@H+]1C ZINC000344320425 254256183 /nfs/dbraw/zinc/25/61/83/254256183.db2.gz CJAJMOIRHPHDSI-MLGOLLRUSA-N 2 2 303.837 3.461 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000344334501 254258604 /nfs/dbraw/zinc/25/86/04/254258604.db2.gz QESGMIVLPSOIRM-DOMZBBRYSA-N 2 2 311.267 3.330 20 0 DGADLP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344334501 254258605 /nfs/dbraw/zinc/25/86/05/254258605.db2.gz QESGMIVLPSOIRM-DOMZBBRYSA-N 2 2 311.267 3.330 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000182385197 533131351 /nfs/dbraw/zinc/13/13/51/533131351.db2.gz OYERWRVNMHAJDK-IBGZPJMESA-N 2 2 307.397 3.271 20 0 DGADLP Cc1cnc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000344448778 254272252 /nfs/dbraw/zinc/27/22/52/254272252.db2.gz MYLVEYXHWQOHCI-UHFFFAOYSA-N 2 2 302.378 3.066 20 0 DGADLP CCC(CC)(CNCc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000344522550 254279627 /nfs/dbraw/zinc/27/96/27/254279627.db2.gz KECOFVIBBINCCQ-HNNXBMFYSA-N 2 2 300.450 3.409 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000255954466 285189280 /nfs/dbraw/zinc/18/92/80/285189280.db2.gz MMFGQDFWGQXFLQ-RHSMWYFYSA-N 2 2 310.869 3.347 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000255954466 285189282 /nfs/dbraw/zinc/18/92/82/285189282.db2.gz MMFGQDFWGQXFLQ-RHSMWYFYSA-N 2 2 310.869 3.347 20 0 DGADLP COCC[NH+]1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000345254362 254345900 /nfs/dbraw/zinc/34/59/00/254345900.db2.gz RQZDVJJABPDERN-UHFFFAOYSA-N 2 2 316.489 3.052 20 0 DGADLP Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156033833 197081701 /nfs/dbraw/zinc/08/17/01/197081701.db2.gz XZYFNSGROGXWPK-ZDUSSCGKSA-N 2 2 310.401 3.370 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296125 197041323 /nfs/dbraw/zinc/04/13/23/197041323.db2.gz FWUYBBOSUYZKJX-RLFYNMQTSA-N 2 2 313.445 3.468 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155296125 197041321 /nfs/dbraw/zinc/04/13/21/197041321.db2.gz FWUYBBOSUYZKJX-RLFYNMQTSA-N 2 2 313.445 3.468 20 0 DGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000293683679 285258762 /nfs/dbraw/zinc/25/87/62/285258762.db2.gz KLQSHCQTBUFQKS-RXVVDRJESA-N 2 2 321.468 3.439 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000120887956 195258149 /nfs/dbraw/zinc/25/81/49/195258149.db2.gz PKUWJKCJIXPPNO-VQIMIIECSA-N 2 2 302.462 3.228 20 0 DGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]C3CCCC3)CC2)cc1 ZINC000120865944 195253298 /nfs/dbraw/zinc/25/32/98/195253298.db2.gz LGMGLWKFQIADNB-UHFFFAOYSA-N 2 2 315.505 3.117 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@@H+]1Cc1ccccc1 ZINC000271566019 209018711 /nfs/dbraw/zinc/01/87/11/209018711.db2.gz SVEHAAJLWZOGLF-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)C[N@H+]1Cc1ccccc1 ZINC000271566019 209018714 /nfs/dbraw/zinc/01/87/14/209018714.db2.gz SVEHAAJLWZOGLF-SJLPKXTDSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000271563496 209015846 /nfs/dbraw/zinc/01/58/46/209015846.db2.gz ORWVEWVJUYCBEB-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616810 221105409 /nfs/dbraw/zinc/10/54/09/221105409.db2.gz URUUMKFPTTUONR-MFKMUULPSA-N 2 2 317.260 3.099 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000289616810 221105412 /nfs/dbraw/zinc/10/54/12/221105412.db2.gz URUUMKFPTTUONR-MFKMUULPSA-N 2 2 317.260 3.099 20 0 DGADLP CCn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289623657 221109420 /nfs/dbraw/zinc/10/94/20/221109420.db2.gz LQRRPDSWCPMRGA-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000289623657 221109424 /nfs/dbraw/zinc/10/94/24/221109424.db2.gz LQRRPDSWCPMRGA-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289623657 221109428 /nfs/dbraw/zinc/10/94/28/221109428.db2.gz LQRRPDSWCPMRGA-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP CCn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000289623657 221109431 /nfs/dbraw/zinc/10/94/31/221109431.db2.gz LQRRPDSWCPMRGA-FQEVSTJZSA-N 2 2 324.472 3.001 20 0 DGADLP c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341395431 285322815 /nfs/dbraw/zinc/32/28/15/285322815.db2.gz LPKZQWZJHURNMU-IBGZPJMESA-N 2 2 323.440 3.159 20 0 DGADLP CCC(=O)CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000289999883 221370236 /nfs/dbraw/zinc/37/02/36/221370236.db2.gz LDCURBSWHDJKOL-UHFFFAOYSA-N 2 2 302.462 3.342 20 0 DGADLP CCC(=O)CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000289999883 221370237 /nfs/dbraw/zinc/37/02/37/221370237.db2.gz LDCURBSWHDJKOL-UHFFFAOYSA-N 2 2 302.462 3.342 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290024685 221385855 /nfs/dbraw/zinc/38/58/55/221385855.db2.gz COSLXSOMEZESDI-HKUYNNGSSA-N 2 2 324.472 3.430 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000290024685 221385857 /nfs/dbraw/zinc/38/58/57/221385857.db2.gz COSLXSOMEZESDI-HKUYNNGSSA-N 2 2 324.472 3.430 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000290034039 221391947 /nfs/dbraw/zinc/39/19/47/221391947.db2.gz WATCQMYTOYMKKD-MRXNPFEDSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000290034039 221391948 /nfs/dbraw/zinc/39/19/48/221391948.db2.gz WATCQMYTOYMKKD-MRXNPFEDSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000290034039 221391950 /nfs/dbraw/zinc/39/19/50/221391950.db2.gz WATCQMYTOYMKKD-MRXNPFEDSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000290034039 221391951 /nfs/dbraw/zinc/39/19/51/221391951.db2.gz WATCQMYTOYMKKD-MRXNPFEDSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000290034035 221392178 /nfs/dbraw/zinc/39/21/78/221392178.db2.gz WATCQMYTOYMKKD-INIZCTEOSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000290034035 221392179 /nfs/dbraw/zinc/39/21/79/221392179.db2.gz WATCQMYTOYMKKD-INIZCTEOSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000290034035 221392181 /nfs/dbraw/zinc/39/21/81/221392181.db2.gz WATCQMYTOYMKKD-INIZCTEOSA-N 2 2 312.461 3.382 20 0 DGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000290034035 221392183 /nfs/dbraw/zinc/39/21/83/221392183.db2.gz WATCQMYTOYMKKD-INIZCTEOSA-N 2 2 312.461 3.382 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295913009 533342809 /nfs/dbraw/zinc/34/28/09/533342809.db2.gz JHBAZQZBEZGKEV-DJXYKJKZSA-N 3 2 310.445 3.148 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295913009 533342815 /nfs/dbraw/zinc/34/28/15/533342815.db2.gz JHBAZQZBEZGKEV-DJXYKJKZSA-N 3 2 310.445 3.148 20 0 DGADLP CC[C@H](C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1)[NH+](C)C ZINC000356974697 285585678 /nfs/dbraw/zinc/58/56/78/285585678.db2.gz NEVIMRCKEOMNAF-GOEBONIOSA-N 2 2 318.465 3.048 20 0 DGADLP Cc1ccc2[nH+]cc(CN(C)CC[NH+](C(C)C)C(C)C)n2c1 ZINC000356993775 285594680 /nfs/dbraw/zinc/59/46/80/285594680.db2.gz GEDRLPRTSFWWJE-UHFFFAOYSA-N 2 2 302.466 3.193 20 0 DGADLP CSc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000357369782 285735856 /nfs/dbraw/zinc/73/58/56/285735856.db2.gz PYGUNMCLFCTHJF-UHFFFAOYSA-N 2 2 310.426 3.279 20 0 DGADLP CCOc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321698326 400171694 /nfs/dbraw/zinc/17/16/94/400171694.db2.gz SVFUAESTACIXOI-DLBZAZTESA-N 2 2 318.461 3.071 20 0 DGADLP CCOc1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321698326 400171696 /nfs/dbraw/zinc/17/16/96/400171696.db2.gz SVFUAESTACIXOI-DLBZAZTESA-N 2 2 318.461 3.071 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000609635756 400184219 /nfs/dbraw/zinc/18/42/19/400184219.db2.gz LXONDMKERYGGNA-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000609635756 400184222 /nfs/dbraw/zinc/18/42/22/400184222.db2.gz LXONDMKERYGGNA-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000609635756 400184226 /nfs/dbraw/zinc/18/42/26/400184226.db2.gz LXONDMKERYGGNA-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000609635756 400184228 /nfs/dbraw/zinc/18/42/28/400184228.db2.gz LXONDMKERYGGNA-RCCFBDPRSA-N 2 2 324.509 3.305 20 0 DGADLP CCc1nc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cs1 ZINC000067186709 400152707 /nfs/dbraw/zinc/15/27/07/400152707.db2.gz VRGMUYIDQIWCOB-UHFFFAOYSA-N 2 2 312.442 3.240 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000092195053 400158375 /nfs/dbraw/zinc/15/83/75/400158375.db2.gz ISAOZLFRRPUZDC-OAHLLOKOSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000092195053 400158380 /nfs/dbraw/zinc/15/83/80/400158380.db2.gz ISAOZLFRRPUZDC-OAHLLOKOSA-N 2 2 301.409 3.393 20 0 DGADLP C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690204 400224207 /nfs/dbraw/zinc/22/42/07/400224207.db2.gz BTVLRWWQLDKLNN-DOTOQJQBSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690204 400224210 /nfs/dbraw/zinc/22/42/10/400224210.db2.gz BTVLRWWQLDKLNN-DOTOQJQBSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@@H](c1cccs1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690204 400224213 /nfs/dbraw/zinc/22/42/13/400224213.db2.gz BTVLRWWQLDKLNN-DOTOQJQBSA-N 2 2 318.486 3.234 20 0 DGADLP C[C@@H](c1cccs1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690204 400224216 /nfs/dbraw/zinc/22/42/16/400224216.db2.gz BTVLRWWQLDKLNN-DOTOQJQBSA-N 2 2 318.486 3.234 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc4[nH]cnc4c3)c2)c[nH+]1 ZINC000589639607 400313812 /nfs/dbraw/zinc/31/38/12/400313812.db2.gz QQAKSMSFRAWGRR-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc4nc[nH]c4c3)c2)c[nH+]1 ZINC000589639607 400313818 /nfs/dbraw/zinc/31/38/18/400313818.db2.gz QQAKSMSFRAWGRR-UHFFFAOYSA-N 2 2 317.396 3.098 20 0 DGADLP COc1ccc2oc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093866327 400258340 /nfs/dbraw/zinc/25/83/40/400258340.db2.gz KALDBBSPJMKTDX-QGZVFWFLSA-N 2 2 324.380 3.490 20 0 DGADLP COc1ccc2oc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093866327 400258341 /nfs/dbraw/zinc/25/83/41/400258341.db2.gz KALDBBSPJMKTDX-QGZVFWFLSA-N 2 2 324.380 3.490 20 0 DGADLP c1ccc2nc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cnc2c1 ZINC000589840342 400332991 /nfs/dbraw/zinc/33/29/91/400332991.db2.gz FEPPDNASWIUPSX-UHFFFAOYSA-N 2 2 324.472 3.374 20 0 DGADLP CC[N@@H+](Cc1nc(C(C)C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999813 400346814 /nfs/dbraw/zinc/34/68/14/400346814.db2.gz XAWPLANQTVXOIH-UHFFFAOYSA-N 2 2 316.449 3.277 20 0 DGADLP C[N@H+](CCOc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070737305 400355810 /nfs/dbraw/zinc/35/58/10/400355810.db2.gz UFYMHGIEXBNTMI-UHFFFAOYSA-N 2 2 307.397 3.383 20 0 DGADLP C[N@@H+](CCOc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070737305 400355815 /nfs/dbraw/zinc/35/58/15/400355815.db2.gz UFYMHGIEXBNTMI-UHFFFAOYSA-N 2 2 307.397 3.383 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708710 400421212 /nfs/dbraw/zinc/42/12/12/400421212.db2.gz BIJKCZDDVWQVLS-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000590708710 400421217 /nfs/dbraw/zinc/42/12/17/400421217.db2.gz BIJKCZDDVWQVLS-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000590708710 400421223 /nfs/dbraw/zinc/42/12/23/400421223.db2.gz BIJKCZDDVWQVLS-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP CCOC(=O)CC[C@@H]1CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000590708710 400421225 /nfs/dbraw/zinc/42/12/25/400421225.db2.gz BIJKCZDDVWQVLS-ZWKOTPCHSA-N 2 2 324.509 3.305 20 0 DGADLP Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000590784679 400434499 /nfs/dbraw/zinc/43/44/99/400434499.db2.gz AFWBQIJUHNZSCP-UHFFFAOYSA-N 2 2 319.408 3.179 20 0 DGADLP Oc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000590784679 400434501 /nfs/dbraw/zinc/43/45/01/400434501.db2.gz AFWBQIJUHNZSCP-UHFFFAOYSA-N 2 2 319.408 3.179 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2c1OCO2 ZINC000591082258 400484036 /nfs/dbraw/zinc/48/40/36/400484036.db2.gz MNWAYDJFCJERGO-CYBMUJFWSA-N 2 2 319.792 3.102 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2c1OCO2 ZINC000591082258 400484038 /nfs/dbraw/zinc/48/40/38/400484038.db2.gz MNWAYDJFCJERGO-CYBMUJFWSA-N 2 2 319.792 3.102 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ncccc12 ZINC000591082142 400484374 /nfs/dbraw/zinc/48/43/74/400484374.db2.gz CXZWHSKGGIAGTG-OAHLLOKOSA-N 2 2 310.376 3.408 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000591379526 400516573 /nfs/dbraw/zinc/51/65/73/400516573.db2.gz DPHIXIJCCDNFJR-SFHVURJKSA-N 2 2 311.429 3.364 20 0 DGADLP c1coc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cs2)c1 ZINC000591915791 400578056 /nfs/dbraw/zinc/57/80/56/400578056.db2.gz QDZDEKDJGGQMMB-CQSZACIVSA-N 2 2 314.414 3.437 20 0 DGADLP c1coc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cs2)c1 ZINC000591915791 400578060 /nfs/dbraw/zinc/57/80/60/400578060.db2.gz QDZDEKDJGGQMMB-CQSZACIVSA-N 2 2 314.414 3.437 20 0 DGADLP CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474896 400531602 /nfs/dbraw/zinc/53/16/02/400531602.db2.gz JQVRZIUMOZQXFJ-SQGPQFPESA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591474896 400531606 /nfs/dbraw/zinc/53/16/06/400531606.db2.gz JQVRZIUMOZQXFJ-SQGPQFPESA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000591474896 400531611 /nfs/dbraw/zinc/53/16/11/400531611.db2.gz JQVRZIUMOZQXFJ-SQGPQFPESA-N 2 2 318.505 3.378 20 0 DGADLP CC[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000591474896 400531616 /nfs/dbraw/zinc/53/16/16/400531616.db2.gz JQVRZIUMOZQXFJ-SQGPQFPESA-N 2 2 318.505 3.378 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000591866951 400568080 /nfs/dbraw/zinc/56/80/80/400568080.db2.gz KXSROCKMZHIJKB-QGZVFWFLSA-N 2 2 308.385 3.375 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)c[nH+]1 ZINC000591866951 400568083 /nfs/dbraw/zinc/56/80/83/400568083.db2.gz KXSROCKMZHIJKB-QGZVFWFLSA-N 2 2 308.385 3.375 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000682534614 549335759 /nfs/dbraw/zinc/33/57/59/549335759.db2.gz QBOKDMWRYOUKHR-AEFFLSMTSA-N 2 2 319.493 3.087 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC(C)(C)C ZINC000682534614 549335763 /nfs/dbraw/zinc/33/57/63/549335763.db2.gz QBOKDMWRYOUKHR-AEFFLSMTSA-N 2 2 319.493 3.087 20 0 DGADLP Clc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000148557404 400656511 /nfs/dbraw/zinc/65/65/11/400656511.db2.gz IQRIIVHCFMQAQX-UHFFFAOYSA-N 2 2 311.216 3.039 20 0 DGADLP Cn1c[nH+]c(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000603344506 400672191 /nfs/dbraw/zinc/67/21/91/400672191.db2.gz UXHQZIXYFNUJPG-KRWDZBQOSA-N 2 2 301.459 3.318 20 0 DGADLP Cn1c[nH+]c(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000603344506 400672196 /nfs/dbraw/zinc/67/21/96/400672196.db2.gz UXHQZIXYFNUJPG-KRWDZBQOSA-N 2 2 301.459 3.318 20 0 DGADLP CCOc1ncccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000151174546 400670401 /nfs/dbraw/zinc/67/04/01/400670401.db2.gz TZXJMCKXBVYEJT-UHFFFAOYSA-N 2 2 317.477 3.367 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1ccc(C(=O)OC)o1)C1CCCCC1 ZINC000593660659 400887856 /nfs/dbraw/zinc/88/78/56/400887856.db2.gz NGNQMDQIXDOHAL-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1ccc(C(=O)OC)o1)C1CCCCC1 ZINC000593660659 400887859 /nfs/dbraw/zinc/88/78/59/400887859.db2.gz NGNQMDQIXDOHAL-UHFFFAOYSA-N 2 2 322.449 3.201 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000078974284 400837379 /nfs/dbraw/zinc/83/73/79/400837379.db2.gz HXXNVBJMHLKWGJ-HUUCEWRRSA-N 2 2 314.351 3.302 20 0 DGADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000078974284 400837381 /nfs/dbraw/zinc/83/73/81/400837381.db2.gz HXXNVBJMHLKWGJ-HUUCEWRRSA-N 2 2 314.351 3.302 20 0 DGADLP CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000222008766 400954689 /nfs/dbraw/zinc/95/46/89/400954689.db2.gz BWATZZSVZSHHPZ-HZPDHXFCSA-N 2 2 305.491 3.314 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599065861 400945899 /nfs/dbraw/zinc/94/58/99/400945899.db2.gz SEKOSOROPWMOGE-HOCLYGCPSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599065861 400945902 /nfs/dbraw/zinc/94/59/02/400945902.db2.gz SEKOSOROPWMOGE-HOCLYGCPSA-N 2 2 310.482 3.103 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598959891 400912756 /nfs/dbraw/zinc/91/27/56/400912756.db2.gz MHLKCSQLOWPYNF-GFCCVEGCSA-N 2 2 312.479 3.133 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000358161310 285986688 /nfs/dbraw/zinc/98/66/88/285986688.db2.gz WURBFQDLAAVDMC-YOEHRIQHSA-N 2 2 310.869 3.492 20 0 DGADLP CCCOc1c(C[NH2+]C[C@H]2CCC[N@@H+]2C)cccc1OCC ZINC000237004586 400985651 /nfs/dbraw/zinc/98/56/51/400985651.db2.gz YUUQNYROZQYFLD-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1c(C[NH2+]C[C@H]2CCC[N@H+]2C)cccc1OCC ZINC000237004586 400985654 /nfs/dbraw/zinc/98/56/54/400985654.db2.gz YUUQNYROZQYFLD-MRXNPFEDSA-N 2 2 306.450 3.058 20 0 DGADLP Clc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2c1OCO2 ZINC000080933866 401001714 /nfs/dbraw/zinc/00/17/14/401001714.db2.gz IFIXKUMNPQEPIA-GFCCVEGCSA-N 2 2 319.792 3.171 20 0 DGADLP Clc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2c1OCO2 ZINC000080933866 401001717 /nfs/dbraw/zinc/00/17/17/401001717.db2.gz IFIXKUMNPQEPIA-GFCCVEGCSA-N 2 2 319.792 3.171 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629561300 400974786 /nfs/dbraw/zinc/97/47/86/400974786.db2.gz HOFQGDYRAFDHIC-WDEREUQCSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629561300 400974790 /nfs/dbraw/zinc/97/47/90/400974790.db2.gz HOFQGDYRAFDHIC-WDEREUQCSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566458 400979889 /nfs/dbraw/zinc/97/98/89/400979889.db2.gz ZJCLQLIUNRPOOP-PWSUYJOCSA-N 2 2 324.749 3.438 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566458 400979892 /nfs/dbraw/zinc/97/98/92/400979892.db2.gz ZJCLQLIUNRPOOP-PWSUYJOCSA-N 2 2 324.749 3.438 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nc(C)no2)c1 ZINC000615324077 401056029 /nfs/dbraw/zinc/05/60/29/401056029.db2.gz CLINQFSIVMSIHV-CYBMUJFWSA-N 2 2 302.422 3.071 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516284 401073421 /nfs/dbraw/zinc/07/34/21/401073421.db2.gz TZKGAKVIETWOMI-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516284 401073424 /nfs/dbraw/zinc/07/34/24/401073424.db2.gz TZKGAKVIETWOMI-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516284 401073430 /nfs/dbraw/zinc/07/34/30/401073430.db2.gz TZKGAKVIETWOMI-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000081516284 401073433 /nfs/dbraw/zinc/07/34/33/401073433.db2.gz TZKGAKVIETWOMI-YOEHRIQHSA-N 2 2 310.869 3.037 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599432074 401048019 /nfs/dbraw/zinc/04/80/19/401048019.db2.gz HAKLETJJRZKCLJ-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599432074 401048026 /nfs/dbraw/zinc/04/80/26/401048026.db2.gz HAKLETJJRZKCLJ-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000599432074 401048034 /nfs/dbraw/zinc/04/80/34/401048034.db2.gz HAKLETJJRZKCLJ-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000599432074 401048040 /nfs/dbraw/zinc/04/80/40/401048040.db2.gz HAKLETJJRZKCLJ-APWZRJJASA-N 2 2 324.509 3.161 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358222255 286001890 /nfs/dbraw/zinc/00/18/90/286001890.db2.gz HXNHGAHWUYYAQT-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358222255 286001891 /nfs/dbraw/zinc/00/18/91/286001891.db2.gz HXNHGAHWUYYAQT-HOTGVXAUSA-N 2 2 308.853 3.455 20 0 DGADLP CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084024522 401125912 /nfs/dbraw/zinc/12/59/12/401125912.db2.gz LWCCOONBESKGSH-KDOFPFPSSA-N 2 2 301.434 3.067 20 0 DGADLP CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084024519 401126245 /nfs/dbraw/zinc/12/62/45/401126245.db2.gz LWCCOONBESKGSH-RDTXWAMCSA-N 2 2 301.434 3.067 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625438278 401128556 /nfs/dbraw/zinc/12/85/56/401128556.db2.gz MWXSBDFGNVJDGK-UHFFFAOYSA-N 2 2 309.335 3.419 20 0 DGADLP FC(F)(F)c1ccc(CCC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625438278 401128563 /nfs/dbraw/zinc/12/85/63/401128563.db2.gz MWXSBDFGNVJDGK-UHFFFAOYSA-N 2 2 309.335 3.419 20 0 DGADLP Cc1nc2ccccc2nc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266761414 401130527 /nfs/dbraw/zinc/13/05/27/401130527.db2.gz QDWWQXRZZLMODQ-UHFFFAOYSA-N 2 2 307.401 3.041 20 0 DGADLP CCCc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000620439885 401094745 /nfs/dbraw/zinc/09/47/45/401094745.db2.gz YRPZRQAENCRLPF-LJQANCHMSA-N 2 2 304.478 3.086 20 0 DGADLP CCCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000620439885 401094752 /nfs/dbraw/zinc/09/47/52/401094752.db2.gz YRPZRQAENCRLPF-LJQANCHMSA-N 2 2 304.478 3.086 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000594748796 401168548 /nfs/dbraw/zinc/16/85/48/401168548.db2.gz MVKQZKYZQBKUGQ-INIZCTEOSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000594748796 401168553 /nfs/dbraw/zinc/16/85/53/401168553.db2.gz MVKQZKYZQBKUGQ-INIZCTEOSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000594746364 401168875 /nfs/dbraw/zinc/16/88/75/401168875.db2.gz CUQDUPXGEYCXCS-INIZCTEOSA-N 2 2 323.868 3.131 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000594746364 401168879 /nfs/dbraw/zinc/16/88/79/401168879.db2.gz CUQDUPXGEYCXCS-INIZCTEOSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000358288880 286021483 /nfs/dbraw/zinc/02/14/83/286021483.db2.gz BZZAJIILJHCYHW-FHLIZLRMSA-N 2 2 316.493 3.420 20 0 DGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000358288880 286021485 /nfs/dbraw/zinc/02/14/85/286021485.db2.gz BZZAJIILJHCYHW-FHLIZLRMSA-N 2 2 316.493 3.420 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000630060563 401173928 /nfs/dbraw/zinc/17/39/28/401173928.db2.gz MIDPNYUEVAIQMX-QUCCMNQESA-N 3 2 313.489 3.038 20 0 DGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000630060563 401173933 /nfs/dbraw/zinc/17/39/33/401173933.db2.gz MIDPNYUEVAIQMX-QUCCMNQESA-N 3 2 313.489 3.038 20 0 DGADLP Cc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358308777 286027177 /nfs/dbraw/zinc/02/71/77/286027177.db2.gz ZJLLCADMIGTESN-UHFFFAOYSA-N 2 2 309.457 3.187 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000358319146 286030561 /nfs/dbraw/zinc/03/05/61/286030561.db2.gz NPUAXBLRLHULGM-APHBMKBZSA-N 2 2 306.425 3.358 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000358319146 286030563 /nfs/dbraw/zinc/03/05/63/286030563.db2.gz NPUAXBLRLHULGM-APHBMKBZSA-N 2 2 306.425 3.358 20 0 DGADLP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000358314007 286028954 /nfs/dbraw/zinc/02/89/54/286028954.db2.gz DVNQLFDTVDDXRX-MRXNPFEDSA-N 2 2 309.404 3.214 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000090721924 401272439 /nfs/dbraw/zinc/27/24/39/401272439.db2.gz BIYQTENVDMMDBA-WBVHZDCISA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000090721924 401272445 /nfs/dbraw/zinc/27/24/45/401272445.db2.gz BIYQTENVDMMDBA-WBVHZDCISA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000090046608 401249929 /nfs/dbraw/zinc/24/99/29/401249929.db2.gz XTIFEFYGDPUOQI-QFBILLFUSA-N 2 2 302.462 3.155 20 0 DGADLP CC(C)c1cc(N2CCC([NH2+]C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000090113628 401259963 /nfs/dbraw/zinc/25/99/63/401259963.db2.gz QOIHEYAAEFHGIY-UHFFFAOYSA-N 2 2 302.466 3.444 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683315 401333607 /nfs/dbraw/zinc/33/36/07/401333607.db2.gz ONEMQRJHUYBNCC-RTBURBONSA-N 2 2 316.489 3.444 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683315 401333612 /nfs/dbraw/zinc/33/36/12/401333612.db2.gz ONEMQRJHUYBNCC-RTBURBONSA-N 2 2 316.489 3.444 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683312 401333684 /nfs/dbraw/zinc/33/36/84/401333684.db2.gz ONEMQRJHUYBNCC-MOPGFXCFSA-N 2 2 316.489 3.444 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000634683312 401333689 /nfs/dbraw/zinc/33/36/89/401333689.db2.gz ONEMQRJHUYBNCC-MOPGFXCFSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000634682975 401333765 /nfs/dbraw/zinc/33/37/65/401333765.db2.gz GHEWCSXKTOHSDB-SUMWQHHRSA-N 2 2 305.372 3.463 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1OCC(C)C ZINC000622005999 401335023 /nfs/dbraw/zinc/33/50/23/401335023.db2.gz RLDVDYJZRWRWIR-APWZRJJASA-N 2 2 318.461 3.043 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1OCC(C)C ZINC000622005999 401335027 /nfs/dbraw/zinc/33/50/27/401335027.db2.gz RLDVDYJZRWRWIR-APWZRJJASA-N 2 2 318.461 3.043 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1OC ZINC000622004251 401335382 /nfs/dbraw/zinc/33/53/82/401335382.db2.gz MNTCAZYGYWRYLO-QOKNQOGYSA-N 2 2 318.461 3.186 20 0 DGADLP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1OC ZINC000622004251 401335384 /nfs/dbraw/zinc/33/53/84/401335384.db2.gz MNTCAZYGYWRYLO-QOKNQOGYSA-N 2 2 318.461 3.186 20 0 DGADLP CC[N@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063414 401292650 /nfs/dbraw/zinc/29/26/50/401292650.db2.gz CLKUQSLZMIDFCQ-UHFFFAOYSA-N 2 2 315.465 3.012 20 0 DGADLP CC[N@@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063414 401292653 /nfs/dbraw/zinc/29/26/53/401292653.db2.gz CLKUQSLZMIDFCQ-UHFFFAOYSA-N 2 2 315.465 3.012 20 0 DGADLP CC(=O)N1CC[C@H]([NH2+]CCc2cc[nH+]cc2C)c2ccccc21 ZINC000621756191 401295647 /nfs/dbraw/zinc/29/56/47/401295647.db2.gz HXKJZTSRZRZJNZ-SFHVURJKSA-N 2 2 309.413 3.020 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781825 401299240 /nfs/dbraw/zinc/29/92/40/401299240.db2.gz IYPIITGVNUHDEH-LPHOPBHVSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781825 401299244 /nfs/dbraw/zinc/29/92/44/401299244.db2.gz IYPIITGVNUHDEH-LPHOPBHVSA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781824 401299280 /nfs/dbraw/zinc/29/92/80/401299280.db2.gz IYPIITGVNUHDEH-APWZRJJASA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1Oc1cccnc1)C2 ZINC000621781824 401299283 /nfs/dbraw/zinc/29/92/83/401299283.db2.gz IYPIITGVNUHDEH-APWZRJJASA-N 2 2 309.413 3.187 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783093 401299951 /nfs/dbraw/zinc/29/99/51/401299951.db2.gz XCMGEAZMTFPBQU-WMLDXEAASA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783093 401299955 /nfs/dbraw/zinc/29/99/55/401299955.db2.gz XCMGEAZMTFPBQU-WMLDXEAASA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783092 401300138 /nfs/dbraw/zinc/30/01/38/401300138.db2.gz XCMGEAZMTFPBQU-RHSMWYFYSA-N 2 2 301.821 3.201 20 0 DGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)cc3cccnc31)C2 ZINC000621783092 401300139 /nfs/dbraw/zinc/30/01/39/401300139.db2.gz XCMGEAZMTFPBQU-RHSMWYFYSA-N 2 2 301.821 3.201 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000631044295 401376831 /nfs/dbraw/zinc/37/68/31/401376831.db2.gz IZPBCXBMASOTRQ-UONOGXRCSA-N 2 2 324.852 3.074 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000631044295 401376833 /nfs/dbraw/zinc/37/68/33/401376833.db2.gz IZPBCXBMASOTRQ-UONOGXRCSA-N 2 2 324.852 3.074 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991092 401396702 /nfs/dbraw/zinc/39/67/02/401396702.db2.gz PLSTZQSGOVXYOG-LIRRHRJNSA-N 2 2 310.445 3.033 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991092 401396703 /nfs/dbraw/zinc/39/67/03/401396703.db2.gz PLSTZQSGOVXYOG-LIRRHRJNSA-N 2 2 310.445 3.033 20 0 DGADLP CC[C@@](C)([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1 ZINC000631195538 401423116 /nfs/dbraw/zinc/42/31/16/401423116.db2.gz YXTBAIYJEGLQJZ-QGZVFWFLSA-N 2 2 304.413 3.040 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258587 401439827 /nfs/dbraw/zinc/43/98/27/401439827.db2.gz BGCZDTJSLKYCSE-UKBAYJJMSA-N 2 2 302.462 3.115 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000631258587 401439828 /nfs/dbraw/zinc/43/98/28/401439828.db2.gz BGCZDTJSLKYCSE-UKBAYJJMSA-N 2 2 302.462 3.115 20 0 DGADLP CC1([NH+]2CCCC2)CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000631443447 401470884 /nfs/dbraw/zinc/47/08/84/401470884.db2.gz BGABLXBWKOESSM-UHFFFAOYSA-N 2 2 310.445 3.272 20 0 DGADLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1Cl ZINC000623516857 401538095 /nfs/dbraw/zinc/53/80/95/401538095.db2.gz IRMGSWYOORINJB-UHFFFAOYSA-N 2 2 305.809 3.171 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(OC)c1OC ZINC000631563243 401497908 /nfs/dbraw/zinc/49/79/08/401497908.db2.gz NEEWUWSDUJAVHN-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(OC)c1OC ZINC000631563243 401497911 /nfs/dbraw/zinc/49/79/11/401497911.db2.gz NEEWUWSDUJAVHN-HOCLYGCPSA-N 2 2 306.450 3.229 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCc2ncccc21 ZINC000631564568 401499062 /nfs/dbraw/zinc/49/90/62/401499062.db2.gz UAWGWVFLRSJBIO-KRWDZBQOSA-N 2 2 306.413 3.407 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCc4ncccc43)[nH+]c12 ZINC000631585050 401506680 /nfs/dbraw/zinc/50/66/80/401506680.db2.gz MKGFHQILQHFASI-SFHVURJKSA-N 2 2 306.413 3.247 20 0 DGADLP Cc1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cn2cc[nH+]c12 ZINC000635963515 401510063 /nfs/dbraw/zinc/51/00/63/401510063.db2.gz URBGWSZEDKNDHI-OAHLLOKOSA-N 2 2 311.389 3.065 20 0 DGADLP Cc1cn2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)cc2[nH+]1 ZINC000636020259 401519423 /nfs/dbraw/zinc/51/94/23/401519423.db2.gz AGUPOZYYZPSEOS-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP CC[NH+](CC)CCN(Cc1cccs1)Cc1[nH]cc(C)[nH+]1 ZINC000628122330 401528592 /nfs/dbraw/zinc/52/85/92/401528592.db2.gz SHBJQJPTIQPZGU-UHFFFAOYSA-N 2 2 306.479 3.124 20 0 DGADLP c1[nH]nc2cccc(C[NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)c12 ZINC000623336170 401493759 /nfs/dbraw/zinc/49/37/59/401493759.db2.gz ZMXGOMMOCFMALD-HXUWFJFHSA-N 2 2 320.440 3.490 20 0 DGADLP Cc1ccc([C@H](C)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628264548 401564077 /nfs/dbraw/zinc/56/40/77/401564077.db2.gz RYGYPQIHFHLQEW-RTBURBONSA-N 2 2 316.489 3.143 20 0 DGADLP Cc1ccc([C@H](C)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000628264548 401564079 /nfs/dbraw/zinc/56/40/79/401564079.db2.gz RYGYPQIHFHLQEW-RTBURBONSA-N 2 2 316.489 3.143 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccnc(-c3ccccc3)c1)CCC2 ZINC000623784924 401579556 /nfs/dbraw/zinc/57/95/56/401579556.db2.gz PJQZPDRSPZVHMP-UHFFFAOYSA-N 2 2 304.397 3.181 20 0 DGADLP c1nc2c(s1)CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000623885594 401593842 /nfs/dbraw/zinc/59/38/42/401593842.db2.gz BQDRQFZXDZXXPS-CYBMUJFWSA-N 2 2 302.447 3.397 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCc4scnc43)[nH+]c12 ZINC000623901287 401596691 /nfs/dbraw/zinc/59/66/91/401596691.db2.gz DWKURMRXLMECHX-AWEZNQCLSA-N 2 2 312.442 3.309 20 0 DGADLP c1nc(C2CC2)oc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000628201248 401549208 /nfs/dbraw/zinc/54/92/08/401549208.db2.gz YPONRCDCBNQTRS-UHFFFAOYSA-N 2 2 311.429 3.090 20 0 DGADLP c1nc(C2CC2)oc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000628201248 401549211 /nfs/dbraw/zinc/54/92/11/401549211.db2.gz YPONRCDCBNQTRS-UHFFFAOYSA-N 2 2 311.429 3.090 20 0 DGADLP CC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624014970 401613152 /nfs/dbraw/zinc/61/31/52/401613152.db2.gz LJIRHYYAUJEHLZ-AZUAARDMSA-N 2 2 316.489 3.241 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339076 401652971 /nfs/dbraw/zinc/65/29/71/401652971.db2.gz LHWMNKUTUGXFQI-SZMVWBNQSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339076 401652972 /nfs/dbraw/zinc/65/29/72/401652972.db2.gz LHWMNKUTUGXFQI-SZMVWBNQSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624339749 401653000 /nfs/dbraw/zinc/65/30/00/401653000.db2.gz UDQGATIWKGCDLN-NXHRZFHOSA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000624339749 401653001 /nfs/dbraw/zinc/65/30/01/401653001.db2.gz UDQGATIWKGCDLN-NXHRZFHOSA-N 2 2 322.880 3.022 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C(F)(F)F ZINC000629385956 401683348 /nfs/dbraw/zinc/68/33/48/401683348.db2.gz FWLLXMBLZNPDPM-CYBMUJFWSA-N 2 2 302.315 3.219 20 0 DGADLP CO[C@@H](C)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000358669506 286119994 /nfs/dbraw/zinc/11/99/94/286119994.db2.gz UMBLQKRZVWRQPZ-AWEZNQCLSA-N 2 2 310.869 3.319 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102343 286237321 /nfs/dbraw/zinc/23/73/21/286237321.db2.gz FUQSDJMOWSTAFR-ICSRJNTNSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102343 286237322 /nfs/dbraw/zinc/23/73/22/286237322.db2.gz FUQSDJMOWSTAFR-ICSRJNTNSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102343 286237323 /nfs/dbraw/zinc/23/73/23/286237323.db2.gz FUQSDJMOWSTAFR-ICSRJNTNSA-N 3 2 317.521 3.359 20 0 DGADLP CC(C)[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359102343 286237324 /nfs/dbraw/zinc/23/73/24/286237324.db2.gz FUQSDJMOWSTAFR-ICSRJNTNSA-N 3 2 317.521 3.359 20 0 DGADLP CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000359103289 286237593 /nfs/dbraw/zinc/23/75/93/286237593.db2.gz HDHJJVPKENRTAP-SFHVURJKSA-N 2 2 302.462 3.187 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359310514 286280645 /nfs/dbraw/zinc/28/06/45/286280645.db2.gz JTUWKHMXXLPFKA-NSISKUIASA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000359310514 286280647 /nfs/dbraw/zinc/28/06/47/286280647.db2.gz JTUWKHMXXLPFKA-NSISKUIASA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000359519541 286325280 /nfs/dbraw/zinc/32/52/80/286325280.db2.gz BAAZXTMGOANOJB-GDBMZVCRSA-N 2 2 308.491 3.072 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1 ZINC000359527688 286327349 /nfs/dbraw/zinc/32/73/49/286327349.db2.gz UDWHIZAVNZQOPY-ZWKOTPCHSA-N 2 2 308.441 3.223 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359588564 286342618 /nfs/dbraw/zinc/34/26/18/286342618.db2.gz IMSQBBPIAAQTOE-UKRRQHHQSA-N 2 2 315.461 3.051 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000359588564 286342620 /nfs/dbraw/zinc/34/26/20/286342620.db2.gz IMSQBBPIAAQTOE-UKRRQHHQSA-N 2 2 315.461 3.051 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000359666802 286357274 /nfs/dbraw/zinc/35/72/74/286357274.db2.gz YCBGYIVRMUTGNL-BRWVUGGUSA-N 2 2 316.489 3.325 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C[C@@H](C)O1 ZINC000359677557 286359202 /nfs/dbraw/zinc/35/92/02/286359202.db2.gz MOVDUTJTWJZKID-HBUWYVDXSA-N 2 2 322.880 3.416 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000422949242 286360003 /nfs/dbraw/zinc/36/00/03/286360003.db2.gz UOCDCQZMJDFFTM-DJJJIMSYSA-N 2 2 314.404 3.121 20 0 DGADLP COC1(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000359958958 286397221 /nfs/dbraw/zinc/39/72/21/286397221.db2.gz QFMAQGQJOLCZMO-UHFFFAOYSA-N 2 2 313.445 3.370 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166258051 292338539 /nfs/dbraw/zinc/33/85/39/292338539.db2.gz IAYFBTLYWLOJFL-HDMKZQKVSA-N 2 2 300.446 3.424 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166258051 292338541 /nfs/dbraw/zinc/33/85/41/292338541.db2.gz IAYFBTLYWLOJFL-HDMKZQKVSA-N 2 2 300.446 3.424 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000361458642 286675689 /nfs/dbraw/zinc/67/56/89/286675689.db2.gz HXZPFLLUXORXOC-HNNXBMFYSA-N 2 2 322.415 3.342 20 0 DGADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCC2 ZINC000361967414 286752060 /nfs/dbraw/zinc/75/20/60/286752060.db2.gz TVZINEDBLFSXNU-KSSFIOAISA-N 2 2 304.503 3.263 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(F)cc(Cl)c2)C[C@@H](C)O1 ZINC000362528259 286823253 /nfs/dbraw/zinc/82/32/53/286823253.db2.gz KTQNXRNAADNNLG-CHWSQXEVSA-N 2 2 314.832 3.068 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423117084 287069718 /nfs/dbraw/zinc/06/97/18/287069718.db2.gz SWBXCQUCTSZCKZ-QRQLOZEOSA-N 3 2 315.505 3.017 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423117084 287069720 /nfs/dbraw/zinc/06/97/20/287069720.db2.gz SWBXCQUCTSZCKZ-QRQLOZEOSA-N 3 2 315.505 3.017 20 0 DGADLP CC(C)(C)OC(=O)CCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181970303 164926150 /nfs/dbraw/zinc/92/61/50/164926150.db2.gz JUJYSTUIIJVWKH-UHFFFAOYSA-N 2 2 307.438 3.032 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@H](C)C3)c2cc1C ZINC000187954462 165106470 /nfs/dbraw/zinc/10/64/70/165106470.db2.gz JIWSLBIBAKLQAT-WMLDXEAASA-N 2 2 315.461 3.136 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@H](C)C3)c2cc1C ZINC000187954462 165106473 /nfs/dbraw/zinc/10/64/73/165106473.db2.gz JIWSLBIBAKLQAT-WMLDXEAASA-N 2 2 315.461 3.136 20 0 DGADLP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913994 165182688 /nfs/dbraw/zinc/18/26/88/165182688.db2.gz OSVGAHAKSCUINF-KOHRHEQBSA-N 2 2 313.445 3.464 20 0 DGADLP Fc1cc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000192061968 165281237 /nfs/dbraw/zinc/28/12/37/165281237.db2.gz JFHHZAPNHVMEBZ-UHFFFAOYSA-N 2 2 323.799 3.392 20 0 DGADLP Cc1ccc([C@@H](CNc2cc[nH+]cc2C)[NH+]2CCOCC2)cc1 ZINC000192514621 165294759 /nfs/dbraw/zinc/29/47/59/165294759.db2.gz UTCXZPXSDSYWDL-LJQANCHMSA-N 2 2 311.429 3.184 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000192828263 165307338 /nfs/dbraw/zinc/30/73/38/165307338.db2.gz HYVPEBPTOGHTDZ-UHFFFAOYSA-N 2 2 308.385 3.304 20 0 DGADLP Clc1ncccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192926472 165310603 /nfs/dbraw/zinc/31/06/03/165310603.db2.gz LFQLAOPCVSVHJU-MRXNPFEDSA-N 2 2 315.848 3.347 20 0 DGADLP Clc1ncccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192926472 165310606 /nfs/dbraw/zinc/31/06/06/165310606.db2.gz LFQLAOPCVSVHJU-MRXNPFEDSA-N 2 2 315.848 3.347 20 0 DGADLP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000194534609 165348913 /nfs/dbraw/zinc/34/89/13/165348913.db2.gz VAPAUAQFTSHIIH-UHFFFAOYSA-N 2 2 314.433 3.043 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000245572749 165467294 /nfs/dbraw/zinc/46/72/94/165467294.db2.gz CPPROEPUAJHJNU-IOMROCGXSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000245572749 165467297 /nfs/dbraw/zinc/46/72/97/165467297.db2.gz CPPROEPUAJHJNU-IOMROCGXSA-N 2 2 324.468 3.281 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1sccc1Cl ZINC000365520350 287141418 /nfs/dbraw/zinc/14/14/18/287141418.db2.gz YPFFCVLIGVNCQD-BNOWGMLFSA-N 2 2 314.882 3.085 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1sccc1Cl ZINC000365520350 287141421 /nfs/dbraw/zinc/14/14/21/287141421.db2.gz YPFFCVLIGVNCQD-BNOWGMLFSA-N 2 2 314.882 3.085 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000269070011 432152332 /nfs/dbraw/zinc/15/23/32/432152332.db2.gz ZTGDFBQRXXOXMJ-AWEZNQCLSA-N 2 2 318.461 3.371 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000136309776 432151541 /nfs/dbraw/zinc/15/15/41/432151541.db2.gz MOFDPAMWLYZWFC-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000269005757 432151551 /nfs/dbraw/zinc/15/15/51/432151551.db2.gz LADAHTDPKCJKAY-BFQNTYOBSA-N 2 2 301.459 3.430 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000269005757 432151556 /nfs/dbraw/zinc/15/15/56/432151556.db2.gz LADAHTDPKCJKAY-BFQNTYOBSA-N 2 2 301.459 3.430 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000136380784 432154401 /nfs/dbraw/zinc/15/44/01/432154401.db2.gz LTGIBOOHOXHRPS-IBGZPJMESA-N 3 2 318.509 3.170 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000136380784 432154404 /nfs/dbraw/zinc/15/44/04/432154404.db2.gz LTGIBOOHOXHRPS-IBGZPJMESA-N 3 2 318.509 3.170 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246711986 432156671 /nfs/dbraw/zinc/15/66/71/432156671.db2.gz ZWZRMOLCTZLYRB-FXAWDEMLSA-N 2 2 314.473 3.108 20 0 DGADLP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246711986 432156678 /nfs/dbraw/zinc/15/66/78/432156678.db2.gz ZWZRMOLCTZLYRB-FXAWDEMLSA-N 2 2 314.473 3.108 20 0 DGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087954 432158089 /nfs/dbraw/zinc/15/80/89/432158089.db2.gz CLZWKSYOUGJVQN-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087954 432158092 /nfs/dbraw/zinc/15/80/92/432158092.db2.gz CLZWKSYOUGJVQN-OAHLLOKOSA-N 2 2 301.409 3.322 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000129541620 196056513 /nfs/dbraw/zinc/05/65/13/196056513.db2.gz XOEKOGSVSHYQPM-HZMBPMFUSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000129541620 196056515 /nfs/dbraw/zinc/05/65/15/196056515.db2.gz XOEKOGSVSHYQPM-HZMBPMFUSA-N 2 2 315.230 3.018 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000246816357 432167943 /nfs/dbraw/zinc/16/79/43/432167943.db2.gz AXDFUBKSQZVSLC-JFRXWTBNSA-N 3 2 309.542 3.205 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000246816357 432167947 /nfs/dbraw/zinc/16/79/47/432167947.db2.gz AXDFUBKSQZVSLC-JFRXWTBNSA-N 3 2 309.542 3.205 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137209030 432174027 /nfs/dbraw/zinc/17/40/27/432174027.db2.gz IZQJSDZCVJTNAQ-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Br)c1 ZINC000137209030 432174029 /nfs/dbraw/zinc/17/40/29/432174029.db2.gz IZQJSDZCVJTNAQ-ONGXEEELSA-N 2 2 317.658 3.272 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190743227 432187486 /nfs/dbraw/zinc/18/74/86/432187486.db2.gz NAFNUZTTZQASDT-UHFFFAOYSA-N 2 2 312.461 3.082 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000182522699 432199391 /nfs/dbraw/zinc/19/93/91/432199391.db2.gz CPHHOMWGYJHFNY-CYBMUJFWSA-N 2 2 317.433 3.055 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H]1O ZINC000182524663 432199777 /nfs/dbraw/zinc/19/97/77/432199777.db2.gz JXOVQZSCBDEGBR-SJORKVTESA-N 2 2 322.880 3.053 20 0 DGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000247033199 432193526 /nfs/dbraw/zinc/19/35/26/432193526.db2.gz VPTIDSZZJWXJSL-BSDSXHPESA-N 2 2 302.462 3.083 20 0 DGADLP c1c(CC[NH2+][C@@H]2CCCOc3ccccc32)[nH+]c2ccccn12 ZINC000130641673 196098241 /nfs/dbraw/zinc/09/82/41/196098241.db2.gz ZDOXNIBDTUSHBS-QGZVFWFLSA-N 2 2 307.397 3.380 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131235540 196152253 /nfs/dbraw/zinc/15/22/53/196152253.db2.gz IQCXNBVJOIKWDJ-INIZCTEOSA-N 2 2 313.445 3.274 20 0 DGADLP CCOc1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131235540 196152254 /nfs/dbraw/zinc/15/22/54/196152254.db2.gz IQCXNBVJOIKWDJ-INIZCTEOSA-N 2 2 313.445 3.274 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000247113880 432204278 /nfs/dbraw/zinc/20/42/78/432204278.db2.gz QSZDUTSEFZJZKI-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000247113880 432204280 /nfs/dbraw/zinc/20/42/80/432204280.db2.gz QSZDUTSEFZJZKI-IAGOWNOFSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H](Cc1ccccc1F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000132395780 196253090 /nfs/dbraw/zinc/25/30/90/196253090.db2.gz YNTZYLXJRKFYJC-OAHLLOKOSA-N 2 2 313.420 3.410 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000132805011 196284952 /nfs/dbraw/zinc/28/49/52/196284952.db2.gz LNDLUEWZSNHDLF-QFBILLFUSA-N 2 2 312.461 3.218 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000132805011 196284954 /nfs/dbraw/zinc/28/49/54/196284954.db2.gz LNDLUEWZSNHDLF-QFBILLFUSA-N 2 2 312.461 3.218 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1sccc1Br ZINC000133295298 196328857 /nfs/dbraw/zinc/32/88/57/196328857.db2.gz WBPLCIHRCOCSDL-NSHDSACASA-N 2 2 305.285 3.316 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1sccc1Br ZINC000133295298 196328858 /nfs/dbraw/zinc/32/88/58/196328858.db2.gz WBPLCIHRCOCSDL-NSHDSACASA-N 2 2 305.285 3.316 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H](CC)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000133804944 196337712 /nfs/dbraw/zinc/33/77/12/196337712.db2.gz RXAHSXZTJLZPAC-OALUTQOASA-N 2 2 314.477 3.326 20 0 DGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750140 287345097 /nfs/dbraw/zinc/34/50/97/287345097.db2.gz ABUHWOSIZVJHAN-AKHDSKFASA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422750140 287345099 /nfs/dbraw/zinc/34/50/99/287345099.db2.gz ABUHWOSIZVJHAN-AKHDSKFASA-N 3 2 321.553 3.397 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295925832 225385150 /nfs/dbraw/zinc/38/51/50/225385150.db2.gz FINUDRALHJXWRM-NZSAHSFTSA-N 2 2 314.473 3.341 20 0 DGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000295925832 225385155 /nfs/dbraw/zinc/38/51/55/225385155.db2.gz FINUDRALHJXWRM-NZSAHSFTSA-N 2 2 314.473 3.341 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295866285 225327430 /nfs/dbraw/zinc/32/74/30/225327430.db2.gz XCEUIXFNPDJCBK-MOPGFXCFSA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295866285 225327434 /nfs/dbraw/zinc/32/74/34/225327434.db2.gz XCEUIXFNPDJCBK-MOPGFXCFSA-N 2 2 314.473 3.342 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645981 227103373 /nfs/dbraw/zinc/10/33/73/227103373.db2.gz QIZRSYILQHWCLE-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645981 227103376 /nfs/dbraw/zinc/10/33/76/227103376.db2.gz QIZRSYILQHWCLE-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000290288795 221548352 /nfs/dbraw/zinc/54/83/52/221548352.db2.gz GUKCUYVUQDSIFZ-RDTXWAMCSA-N 2 2 302.393 3.173 20 0 DGADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](C(C)C)CC1 ZINC000291102007 222137123 /nfs/dbraw/zinc/13/71/23/222137123.db2.gz RNUYRQFXPKPEPV-UHFFFAOYSA-N 2 2 305.466 3.335 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173961028 228285701 /nfs/dbraw/zinc/28/57/01/228285701.db2.gz UTZWXGSDGVBBBI-SJORKVTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173961028 228285703 /nfs/dbraw/zinc/28/57/03/228285703.db2.gz UTZWXGSDGVBBBI-SJORKVTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173961028 228285705 /nfs/dbraw/zinc/28/57/05/228285705.db2.gz UTZWXGSDGVBBBI-SJORKVTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173961028 228285707 /nfs/dbraw/zinc/28/57/07/228285707.db2.gz UTZWXGSDGVBBBI-SJORKVTESA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)c(C)[nH+]1 ZINC000176705167 228318586 /nfs/dbraw/zinc/31/85/86/228318586.db2.gz WCVTUVLPSZKELZ-UHFFFAOYSA-N 2 2 304.438 3.086 20 0 DGADLP Cn1c2ccccc2[nH+]c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000178799592 228347067 /nfs/dbraw/zinc/34/70/67/228347067.db2.gz DBSOFUVFIVGBPE-INIZCTEOSA-N 2 2 310.401 3.415 20 0 DGADLP c1nn(Cc2ccccc2)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000299321415 229049313 /nfs/dbraw/zinc/04/93/13/229049313.db2.gz IEYYNHRNHDJWCH-UHFFFAOYSA-N 2 2 324.472 3.038 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccsc2)nc(C2CC2)[nH+]1 ZINC000413452941 230230609 /nfs/dbraw/zinc/23/06/09/230230609.db2.gz LZACQCINRZYBGH-UHFFFAOYSA-N 2 2 316.474 3.292 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000194008642 263805685 /nfs/dbraw/zinc/80/56/85/263805685.db2.gz HFZQAILUGMBTEJ-YDZRNGNQSA-N 2 2 314.473 3.145 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000346195451 263981511 /nfs/dbraw/zinc/98/15/11/263981511.db2.gz OKDDOSDPWCLIQN-CRAIPNDOSA-N 2 2 315.461 3.299 20 0 DGADLP CS[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000346329413 264011173 /nfs/dbraw/zinc/01/11/73/264011173.db2.gz MPNVZJPNAPOIPV-QGZVFWFLSA-N 2 2 321.534 3.413 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@@H+]1C ZINC000346344862 264014703 /nfs/dbraw/zinc/01/47/03/264014703.db2.gz WRTGVQCRQCPUDM-QSUGNCRHSA-N 2 2 302.462 3.491 20 0 DGADLP C[C@H]1[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)CCC[N@H+]1C ZINC000346344862 264014705 /nfs/dbraw/zinc/01/47/05/264014705.db2.gz WRTGVQCRQCPUDM-QSUGNCRHSA-N 2 2 302.462 3.491 20 0 DGADLP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO1 ZINC000346356071 264016536 /nfs/dbraw/zinc/01/65/36/264016536.db2.gz CDCYAIWCUONRHO-UONOGXRCSA-N 2 2 322.415 3.198 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CCO)c2ccco2)CC1 ZINC000346530194 264047401 /nfs/dbraw/zinc/04/74/01/264047401.db2.gz RCKKTHUJXTVPPA-BPQIPLTHSA-N 2 2 320.477 3.336 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)[NH+]2CCCC2)cc1 ZINC000346547916 264050888 /nfs/dbraw/zinc/05/08/88/264050888.db2.gz CBSDHQYXNPCUSK-WDSOQIARSA-N 2 2 302.462 3.289 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346666873 264077032 /nfs/dbraw/zinc/07/70/32/264077032.db2.gz DPUBEKYAKCWXPC-SFHVURJKSA-N 2 2 320.440 3.209 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346666873 264077034 /nfs/dbraw/zinc/07/70/34/264077034.db2.gz DPUBEKYAKCWXPC-SFHVURJKSA-N 2 2 320.440 3.209 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000346684930 264079435 /nfs/dbraw/zinc/07/94/35/264079435.db2.gz SCXQOWBOCSOJIJ-ZDUSSCGKSA-N 2 2 308.857 3.032 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000346684930 264079436 /nfs/dbraw/zinc/07/94/36/264079436.db2.gz SCXQOWBOCSOJIJ-ZDUSSCGKSA-N 2 2 308.857 3.032 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697855 264082483 /nfs/dbraw/zinc/08/24/83/264082483.db2.gz HJXPDPSZWFDZQG-RNIPGJKVSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697855 264082484 /nfs/dbraw/zinc/08/24/84/264082484.db2.gz HJXPDPSZWFDZQG-RNIPGJKVSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000346699517 264082738 /nfs/dbraw/zinc/08/27/38/264082738.db2.gz CTTRQHARUIEUJM-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000346699517 264082741 /nfs/dbraw/zinc/08/27/41/264082741.db2.gz CTTRQHARUIEUJM-OWYHZJEWSA-N 2 2 302.462 3.054 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000346774640 264094329 /nfs/dbraw/zinc/09/43/29/264094329.db2.gz FUTLQBASISUIJO-UXLLHSPISA-N 2 2 320.477 3.473 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)[C@@H](C)C1 ZINC000346774640 264094330 /nfs/dbraw/zinc/09/43/30/264094330.db2.gz FUTLQBASISUIJO-UXLLHSPISA-N 2 2 320.477 3.473 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1OC ZINC000346801733 264100227 /nfs/dbraw/zinc/10/02/27/264100227.db2.gz CFOAOHIXGKCHJA-DZKIICNBSA-N 2 2 306.450 3.146 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1OC ZINC000346801733 264100228 /nfs/dbraw/zinc/10/02/28/264100228.db2.gz CFOAOHIXGKCHJA-DZKIICNBSA-N 2 2 306.450 3.146 20 0 DGADLP CO[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000346831778 264105214 /nfs/dbraw/zinc/10/52/14/264105214.db2.gz QTKRFUCRKAIFDU-PMACEKPBSA-N 2 2 310.441 3.292 20 0 DGADLP CO[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000346831778 264105218 /nfs/dbraw/zinc/10/52/18/264105218.db2.gz QTKRFUCRKAIFDU-PMACEKPBSA-N 2 2 310.441 3.292 20 0 DGADLP c1nc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cs1 ZINC000346932429 264123039 /nfs/dbraw/zinc/12/30/39/264123039.db2.gz AZBRTBSSMQHXJV-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP CCC[N@H+](Cc1nc2cc(Cl)ccc2n1C)C1CC[NH2+]CC1 ZINC000347034071 264144136 /nfs/dbraw/zinc/14/41/36/264144136.db2.gz BWJGAAYBIGWNIG-UHFFFAOYSA-N 2 2 320.868 3.191 20 0 DGADLP CCC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)C1CC[NH2+]CC1 ZINC000347034071 264144140 /nfs/dbraw/zinc/14/41/40/264144140.db2.gz BWJGAAYBIGWNIG-UHFFFAOYSA-N 2 2 320.868 3.191 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036654 264144825 /nfs/dbraw/zinc/14/48/25/264144825.db2.gz HDXOHXCHXGLMJC-GUYCJALGSA-N 2 2 318.852 3.227 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347036654 264144829 /nfs/dbraw/zinc/14/48/29/264144829.db2.gz HDXOHXCHXGLMJC-GUYCJALGSA-N 2 2 318.852 3.227 20 0 DGADLP CCCOc1ccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)cc1OC ZINC000347035221 264145167 /nfs/dbraw/zinc/14/51/67/264145167.db2.gz GGFOZHVEUBSQRW-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP CCCOc1ccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)cc1OC ZINC000347035221 264145170 /nfs/dbraw/zinc/14/51/70/264145170.db2.gz GGFOZHVEUBSQRW-INIZCTEOSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041381 264146258 /nfs/dbraw/zinc/14/62/58/264146258.db2.gz KSXRSPYDUGOFGA-WFASDCNBSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000347041381 264146260 /nfs/dbraw/zinc/14/62/60/264146260.db2.gz KSXRSPYDUGOFGA-WFASDCNBSA-N 2 2 316.367 3.329 20 0 DGADLP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347071495 264151847 /nfs/dbraw/zinc/15/18/47/264151847.db2.gz BVBFZSRWIBHLHK-RBUKOAKNSA-N 2 2 312.413 3.313 20 0 DGADLP COCC[C@H](c1ccccc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347071495 264151848 /nfs/dbraw/zinc/15/18/48/264151848.db2.gz BVBFZSRWIBHLHK-RBUKOAKNSA-N 2 2 312.413 3.313 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OC ZINC000347086465 264153675 /nfs/dbraw/zinc/15/36/75/264153675.db2.gz DVZJSGVCERVUDO-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OC ZINC000347086465 264153677 /nfs/dbraw/zinc/15/36/77/264153677.db2.gz DVZJSGVCERVUDO-HOCLYGCPSA-N 2 2 306.450 3.043 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000347091810 264154683 /nfs/dbraw/zinc/15/46/83/264154683.db2.gz GPYGCASOIMQBDK-GOSISDBHSA-N 2 2 312.461 3.309 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000347091810 264154684 /nfs/dbraw/zinc/15/46/84/264154684.db2.gz GPYGCASOIMQBDK-GOSISDBHSA-N 2 2 312.461 3.309 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088527 264154710 /nfs/dbraw/zinc/15/47/10/264154710.db2.gz FGRIUIXUPBMTSC-JSGCOSHPSA-N 2 2 316.367 3.329 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000347088527 264154711 /nfs/dbraw/zinc/15/47/11/264154711.db2.gz FGRIUIXUPBMTSC-JSGCOSHPSA-N 2 2 316.367 3.329 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000347092132 264154761 /nfs/dbraw/zinc/15/47/61/264154761.db2.gz GVJOAJSGJUCQON-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000347092132 264154764 /nfs/dbraw/zinc/15/47/64/264154764.db2.gz GVJOAJSGJUCQON-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000347090394 264155089 /nfs/dbraw/zinc/15/50/89/264155089.db2.gz FYUWJDDOOOGCPR-SWLSCSKDSA-N 2 2 316.367 3.187 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000347090394 264155091 /nfs/dbraw/zinc/15/50/91/264155091.db2.gz FYUWJDDOOOGCPR-SWLSCSKDSA-N 2 2 316.367 3.187 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)sc1Br ZINC000347100648 264156395 /nfs/dbraw/zinc/15/63/95/264156395.db2.gz JZOREGHBDLYFBJ-QWRGUYRKSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)sc1Br ZINC000347100648 264156397 /nfs/dbraw/zinc/15/63/97/264156397.db2.gz JZOREGHBDLYFBJ-QWRGUYRKSA-N 2 2 317.296 3.378 20 0 DGADLP COC1CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000347099861 264156812 /nfs/dbraw/zinc/15/68/12/264156812.db2.gz LYQQZHCQIMFZET-ACBHZAAOSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000347103124 264157446 /nfs/dbraw/zinc/15/74/46/264157446.db2.gz LVPHCLPHARQWHG-UHFFFAOYSA-N 2 2 324.472 3.349 20 0 DGADLP Cc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1Br ZINC000347109223 264158103 /nfs/dbraw/zinc/15/81/03/264158103.db2.gz MTWRTHJNJKITTD-AWEZNQCLSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1Br ZINC000347109223 264158106 /nfs/dbraw/zinc/15/81/06/264158106.db2.gz MTWRTHJNJKITTD-AWEZNQCLSA-N 2 2 309.251 3.084 20 0 DGADLP Clc1ccccc1CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347112696 264158887 /nfs/dbraw/zinc/15/88/87/264158887.db2.gz ZXIWVGYEBHITAD-INIZCTEOSA-N 2 2 302.805 3.431 20 0 DGADLP Clc1ccccc1CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347112696 264158889 /nfs/dbraw/zinc/15/88/89/264158889.db2.gz ZXIWVGYEBHITAD-INIZCTEOSA-N 2 2 302.805 3.431 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347165282 264167959 /nfs/dbraw/zinc/16/79/59/264167959.db2.gz JSTPPXKZCMSDIH-LJQANCHMSA-N 3 2 317.521 3.076 20 0 DGADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347165282 264167960 /nfs/dbraw/zinc/16/79/60/264167960.db2.gz JSTPPXKZCMSDIH-LJQANCHMSA-N 3 2 317.521 3.076 20 0 DGADLP C[NH2+]C[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347165282 264167963 /nfs/dbraw/zinc/16/79/63/264167963.db2.gz JSTPPXKZCMSDIH-LJQANCHMSA-N 3 2 317.521 3.076 20 0 DGADLP C[NH2+]C[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347165282 264167966 /nfs/dbraw/zinc/16/79/66/264167966.db2.gz JSTPPXKZCMSDIH-LJQANCHMSA-N 3 2 317.521 3.076 20 0 DGADLP CC[N@@H+](CCCCn1cc[nH+]c1C)CCN1CCCCCC1 ZINC000347286265 264190009 /nfs/dbraw/zinc/19/00/09/264190009.db2.gz HPKLHWATFIBISA-UHFFFAOYSA-N 2 2 306.498 3.170 20 0 DGADLP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)c1OC ZINC000347650315 264260300 /nfs/dbraw/zinc/26/03/00/264260300.db2.gz JOCOUYYRUBZBSA-UHFFFAOYSA-N 2 2 318.461 3.072 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000347699668 264269214 /nfs/dbraw/zinc/26/92/14/264269214.db2.gz AEFGKUKRGYYUDO-UHFFFAOYSA-N 2 2 310.445 3.231 20 0 DGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cccn1 ZINC000347726820 264274526 /nfs/dbraw/zinc/27/45/26/264274526.db2.gz BTNMXLOYKXJKTA-PKOBYXMFSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cccn1 ZINC000347726820 264274528 /nfs/dbraw/zinc/27/45/28/264274528.db2.gz BTNMXLOYKXJKTA-PKOBYXMFSA-N 2 2 314.477 3.018 20 0 DGADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCCc1c[nH+]ccc1C ZINC000347857523 264296757 /nfs/dbraw/zinc/29/67/57/264296757.db2.gz OXXJQXWANYAPLL-MOPGFXCFSA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCCc1c[nH+]ccc1C ZINC000347857523 264296758 /nfs/dbraw/zinc/29/67/58/264296758.db2.gz OXXJQXWANYAPLL-MOPGFXCFSA-N 2 2 317.477 3.044 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@H]2CCc3ccccc3C2)s1 ZINC000347859389 264296997 /nfs/dbraw/zinc/29/69/97/264296997.db2.gz RDFBODIHUBJEKK-INIZCTEOSA-N 2 2 315.486 3.194 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)s1 ZINC000347859389 264296998 /nfs/dbraw/zinc/29/69/98/264296998.db2.gz RDFBODIHUBJEKK-INIZCTEOSA-N 2 2 315.486 3.194 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)s1 ZINC000347875869 264299587 /nfs/dbraw/zinc/29/95/87/264299587.db2.gz XPULWYIILCMZKO-OAHLLOKOSA-N 2 2 323.506 3.128 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)s1 ZINC000347875869 264299589 /nfs/dbraw/zinc/29/95/89/264299589.db2.gz XPULWYIILCMZKO-OAHLLOKOSA-N 2 2 323.506 3.128 20 0 DGADLP Cc1ccncc1CCC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000347889484 264302403 /nfs/dbraw/zinc/30/24/03/264302403.db2.gz ARAPEQBESMHJGF-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000347889484 264302405 /nfs/dbraw/zinc/30/24/05/264302405.db2.gz ARAPEQBESMHJGF-UHFFFAOYSA-N 3 2 320.440 3.357 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960067 264314275 /nfs/dbraw/zinc/31/42/75/264314275.db2.gz OZEXVYUTVLXIHE-DZGCQCFKSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960067 264314277 /nfs/dbraw/zinc/31/42/77/264314277.db2.gz OZEXVYUTVLXIHE-DZGCQCFKSA-N 2 2 303.450 3.295 20 0 DGADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1c(C)nn(C)c1C ZINC000348041404 264327055 /nfs/dbraw/zinc/32/70/55/264327055.db2.gz LOYOCCHENBAKIT-KRWDZBQOSA-N 2 2 300.450 3.414 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCc2cn(C(C)C)nc2C1 ZINC000348076969 264334931 /nfs/dbraw/zinc/33/49/31/264334931.db2.gz KPHSNWVLCNROBG-SFHVURJKSA-N 2 2 312.461 3.247 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(F)cn1 ZINC000348083068 264336601 /nfs/dbraw/zinc/33/66/01/264336601.db2.gz KHWDPIRQAQBDCE-KFWWJZLASA-N 2 2 323.456 3.248 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000348093516 264338521 /nfs/dbraw/zinc/33/85/21/264338521.db2.gz ASDFAQNGUXNGGF-QGZVFWFLSA-N 2 2 312.413 3.142 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000348096029 264339491 /nfs/dbraw/zinc/33/94/91/264339491.db2.gz OKTXASBLNQOXOQ-LJQANCHMSA-N 3 2 303.494 3.423 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000348096029 264339492 /nfs/dbraw/zinc/33/94/92/264339492.db2.gz OKTXASBLNQOXOQ-LJQANCHMSA-N 3 2 303.494 3.423 20 0 DGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138664 264350102 /nfs/dbraw/zinc/35/01/02/264350102.db2.gz AXCXCLJUGQSVLH-INIZCTEOSA-N 2 2 318.436 3.062 20 0 DGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138664 264350103 /nfs/dbraw/zinc/35/01/03/264350103.db2.gz AXCXCLJUGQSVLH-INIZCTEOSA-N 2 2 318.436 3.062 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138664 264350104 /nfs/dbraw/zinc/35/01/04/264350104.db2.gz AXCXCLJUGQSVLH-INIZCTEOSA-N 2 2 318.436 3.062 20 0 DGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000348138664 264350105 /nfs/dbraw/zinc/35/01/05/264350105.db2.gz AXCXCLJUGQSVLH-INIZCTEOSA-N 2 2 318.436 3.062 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000348137724 264350236 /nfs/dbraw/zinc/35/02/36/264350236.db2.gz CRCMDLONGQFOEI-MRXNPFEDSA-N 2 2 321.428 3.254 20 0 DGADLP Clc1cnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000348140689 264350790 /nfs/dbraw/zinc/35/07/90/264350790.db2.gz RXVVNTVEUCOYIA-UHFFFAOYSA-N 2 2 311.216 3.491 20 0 DGADLP CSC1(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000348183366 264359346 /nfs/dbraw/zinc/35/93/46/264359346.db2.gz BDKRIPVAKNTZEI-KRWDZBQOSA-N 2 2 304.503 3.382 20 0 DGADLP CSC1(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000348183366 264359347 /nfs/dbraw/zinc/35/93/47/264359347.db2.gz BDKRIPVAKNTZEI-KRWDZBQOSA-N 2 2 304.503 3.382 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348243101 264372946 /nfs/dbraw/zinc/37/29/46/264372946.db2.gz LEZQXYLQFIANKG-JFIYKMOQSA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348243101 264372950 /nfs/dbraw/zinc/37/29/50/264372950.db2.gz LEZQXYLQFIANKG-JFIYKMOQSA-N 2 2 319.518 3.025 20 0 DGADLP Cc1cnc([C@@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302644 264385542 /nfs/dbraw/zinc/38/55/42/264385542.db2.gz CPVPXNGVXAPBAF-NXHRZFHOSA-N 2 2 311.429 3.108 20 0 DGADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302644 264385544 /nfs/dbraw/zinc/38/55/44/264385544.db2.gz CPVPXNGVXAPBAF-NXHRZFHOSA-N 2 2 311.429 3.108 20 0 DGADLP Cc1cnc([C@@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302644 264385546 /nfs/dbraw/zinc/38/55/46/264385546.db2.gz CPVPXNGVXAPBAF-NXHRZFHOSA-N 2 2 311.429 3.108 20 0 DGADLP Cc1cnc([C@@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000348302644 264385548 /nfs/dbraw/zinc/38/55/48/264385548.db2.gz CPVPXNGVXAPBAF-NXHRZFHOSA-N 2 2 311.429 3.108 20 0 DGADLP COCC(C)(C)CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000348327752 264390548 /nfs/dbraw/zinc/39/05/48/264390548.db2.gz OVJKLCUVESLZTF-UHFFFAOYSA-N 2 2 324.431 3.446 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000352345666 265008822 /nfs/dbraw/zinc/00/88/22/265008822.db2.gz NVIZPQFRHNQVNK-UHFFFAOYSA-N 2 2 318.424 3.260 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)c1 ZINC000352347933 265011417 /nfs/dbraw/zinc/01/14/17/265011417.db2.gz YHPZCPHNUHSXSB-UHFFFAOYSA-N 2 2 307.441 3.201 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000352451398 265053834 /nfs/dbraw/zinc/05/38/34/265053834.db2.gz WOBLBCIKVQKNNH-OTMARIDSSA-N 2 2 300.446 3.063 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000352451398 265053836 /nfs/dbraw/zinc/05/38/36/265053836.db2.gz WOBLBCIKVQKNNH-OTMARIDSSA-N 2 2 300.446 3.063 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2n1C(F)F ZINC000352511417 265073968 /nfs/dbraw/zinc/07/39/68/265073968.db2.gz RYWDDZVSEWBNSC-LBPRGKRZSA-N 2 2 308.376 3.135 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2n1C(F)F ZINC000352511417 265073971 /nfs/dbraw/zinc/07/39/71/265073971.db2.gz RYWDDZVSEWBNSC-LBPRGKRZSA-N 2 2 308.376 3.135 20 0 DGADLP CCOc1cccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352766812 265158317 /nfs/dbraw/zinc/15/83/17/265158317.db2.gz AQJOGYPRAPORAE-CYBMUJFWSA-N 2 2 319.474 3.454 20 0 DGADLP c1c[nH+]c(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)[nH]1 ZINC000352852479 265198554 /nfs/dbraw/zinc/19/85/54/265198554.db2.gz HEEBCEZNZQVELH-UHFFFAOYSA-N 2 2 308.385 3.444 20 0 DGADLP Clc1ccccc1C1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000352976485 265253595 /nfs/dbraw/zinc/25/35/95/265253595.db2.gz KVKXQPYNIIQIIP-ROKHWSDSSA-N 2 2 301.821 3.387 20 0 DGADLP CCCN(CC[NH+]1CCCCC1)Cc1c[nH+]c2ccccn12 ZINC000353140304 265314055 /nfs/dbraw/zinc/31/40/55/265314055.db2.gz AYPNJXXKFTVNSB-UHFFFAOYSA-N 2 2 300.450 3.032 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)[C@@H](C)C1 ZINC000353158063 265322362 /nfs/dbraw/zinc/32/23/62/265322362.db2.gz VLUWFRCUVSQJFT-RDJZCZTQSA-N 2 2 302.462 3.047 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CC2(c3ccccc3OC)CCC2)[C@@H](C)C1 ZINC000353158063 265322365 /nfs/dbraw/zinc/32/23/65/265322365.db2.gz VLUWFRCUVSQJFT-RDJZCZTQSA-N 2 2 302.462 3.047 20 0 DGADLP Cc1ccc[nH+]c1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000353209763 265344878 /nfs/dbraw/zinc/34/48/78/265344878.db2.gz KWFPSDZFUXNCOZ-UHFFFAOYSA-N 2 2 302.447 3.225 20 0 DGADLP Cc1ccc[nH+]c1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000353209763 265344880 /nfs/dbraw/zinc/34/48/80/265344880.db2.gz KWFPSDZFUXNCOZ-UHFFFAOYSA-N 2 2 302.447 3.225 20 0 DGADLP c1cc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)nc2[nH]1 ZINC000353219979 265348368 /nfs/dbraw/zinc/34/83/68/265348368.db2.gz NJQCLMIJUOLUPX-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353321317 265388630 /nfs/dbraw/zinc/38/86/30/265388630.db2.gz IDCYMEJEINERMF-KBPBESRZSA-N 2 2 300.402 3.158 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353321317 265388633 /nfs/dbraw/zinc/38/86/33/265388633.db2.gz IDCYMEJEINERMF-KBPBESRZSA-N 2 2 300.402 3.158 20 0 DGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000354192232 265696821 /nfs/dbraw/zinc/69/68/21/265696821.db2.gz RUVLMXQZMRKPRP-CABCVRRESA-N 2 2 301.434 3.290 20 0 DGADLP CCC(CC)[NH2+]CCNc1nc(C)[nH+]c(C)c1Br ZINC000624357559 424807232 /nfs/dbraw/zinc/80/72/32/424807232.db2.gz XNQFBHVTPNPUPY-UHFFFAOYSA-N 2 2 315.259 3.046 20 0 DGADLP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000355329455 266040590 /nfs/dbraw/zinc/04/05/90/266040590.db2.gz JLVDUEYESYPPTQ-BMFZPTHFSA-N 2 2 314.433 3.005 20 0 DGADLP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000355329455 266040591 /nfs/dbraw/zinc/04/05/91/266040591.db2.gz JLVDUEYESYPPTQ-BMFZPTHFSA-N 2 2 314.433 3.005 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000355371724 266055045 /nfs/dbraw/zinc/05/50/45/266055045.db2.gz OMHKUEVCCZMBLL-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000355371724 266055047 /nfs/dbraw/zinc/05/50/47/266055047.db2.gz OMHKUEVCCZMBLL-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP COC1(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CCC(C)CC1 ZINC000355416839 266068192 /nfs/dbraw/zinc/06/81/92/266068192.db2.gz ROSLVDCXPSNEJV-UHFFFAOYSA-N 2 2 301.434 3.328 20 0 DGADLP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000355454743 266078958 /nfs/dbraw/zinc/07/89/58/266078958.db2.gz WZSZCRHQRFRZBO-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(C)c1NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000355454743 266078961 /nfs/dbraw/zinc/07/89/61/266078961.db2.gz WZSZCRHQRFRZBO-UHFFFAOYSA-N 2 2 317.477 3.047 20 0 DGADLP CC(C)(C)CC[C@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000355729523 266167425 /nfs/dbraw/zinc/16/74/25/266167425.db2.gz LZRQFWMZASJDAK-CYBMUJFWSA-N 2 2 307.463 3.211 20 0 DGADLP CC[N@H+](CCC1CC[NH+](Cc2cn[nH]c2C)CC1)CC1CC1 ZINC000355898165 266222742 /nfs/dbraw/zinc/22/27/42/266222742.db2.gz GEDJJWWIOZHRQB-UHFFFAOYSA-N 2 2 304.482 3.052 20 0 DGADLP CC[N@@H+](CCC1CC[NH+](Cc2cn[nH]c2C)CC1)CC1CC1 ZINC000355898165 266222745 /nfs/dbraw/zinc/22/27/45/266222745.db2.gz GEDJJWWIOZHRQB-UHFFFAOYSA-N 2 2 304.482 3.052 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@]2(C)OCCc3sccc32)c[nH+]1 ZINC000356353919 266363891 /nfs/dbraw/zinc/36/38/91/266363891.db2.gz CPXWBNIOIUMQFM-GOSISDBHSA-N 2 2 316.470 3.462 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c[nH+]1 ZINC000356373959 266372921 /nfs/dbraw/zinc/37/29/21/266372921.db2.gz WGACHCVGPQENAU-UXHICEINSA-N 2 2 310.441 3.078 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483833 432249680 /nfs/dbraw/zinc/24/96/80/432249680.db2.gz LCWZWBZMXHSARW-FIKGOQFSSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483833 432249684 /nfs/dbraw/zinc/24/96/84/432249684.db2.gz LCWZWBZMXHSARW-FIKGOQFSSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1cccc(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000270481407 432250494 /nfs/dbraw/zinc/25/04/94/432250494.db2.gz KQVINVJIYHPFJD-IAGOWNOFSA-N 2 2 312.457 3.350 20 0 DGADLP C[C@H](C[NH2+][C@H](C)c1cccc(CO)c1)[N@@H+](C)Cc1ccccc1 ZINC000270481407 432250497 /nfs/dbraw/zinc/25/04/97/432250497.db2.gz KQVINVJIYHPFJD-IAGOWNOFSA-N 2 2 312.457 3.350 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)[C@H]1CCCCO1 ZINC000359864842 271003598 /nfs/dbraw/zinc/00/35/98/271003598.db2.gz DGKCBRIKRFGXEP-HNAYVOBHSA-N 2 2 320.452 3.337 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483848 432249970 /nfs/dbraw/zinc/24/99/70/432249970.db2.gz LCWZWBZMXHSARW-XGHQBKJUSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(CO)c1 ZINC000270483848 432249975 /nfs/dbraw/zinc/24/99/75/432249975.db2.gz LCWZWBZMXHSARW-XGHQBKJUSA-N 2 2 324.468 3.493 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nccn1-c1ccccc1 ZINC000367568082 271044489 /nfs/dbraw/zinc/04/44/89/271044489.db2.gz VWSZEKSPTMCZAT-UNPWZGGWSA-N 2 2 310.445 3.148 20 0 DGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccn1-c1ccccc1 ZINC000367568082 271044491 /nfs/dbraw/zinc/04/44/91/271044491.db2.gz VWSZEKSPTMCZAT-UNPWZGGWSA-N 2 2 310.445 3.148 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000367701054 271066204 /nfs/dbraw/zinc/06/62/04/271066204.db2.gz JZDRXPFUCWVWHI-GFCCVEGCSA-N 2 2 304.463 3.164 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000367701054 271066210 /nfs/dbraw/zinc/06/62/10/271066210.db2.gz JZDRXPFUCWVWHI-GFCCVEGCSA-N 2 2 304.463 3.164 20 0 DGADLP Oc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000367765002 271074961 /nfs/dbraw/zinc/07/49/61/271074961.db2.gz HEGJLDYYFCRHTA-SFHVURJKSA-N 2 2 311.429 3.135 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000367813665 271080594 /nfs/dbraw/zinc/08/05/94/271080594.db2.gz HOCUVVRUEGCARX-HOTGVXAUSA-N 2 2 321.465 3.136 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000367813665 271080598 /nfs/dbraw/zinc/08/05/98/271080598.db2.gz HOCUVVRUEGCARX-HOTGVXAUSA-N 2 2 321.465 3.136 20 0 DGADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062810 432253927 /nfs/dbraw/zinc/25/39/27/432253927.db2.gz AHPJPAJVHFFNFS-SJLPKXTDSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062810 432253930 /nfs/dbraw/zinc/25/39/30/432253930.db2.gz AHPJPAJVHFFNFS-SJLPKXTDSA-N 2 2 314.477 3.371 20 0 DGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H](C)O)CC1 ZINC000450642226 273775133 /nfs/dbraw/zinc/77/51/33/273775133.db2.gz HUXPXHRESHNJAQ-CQSZACIVSA-N 2 2 301.434 3.007 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449630614 274061930 /nfs/dbraw/zinc/06/19/30/274061930.db2.gz NJAIWBWMFCTILR-LNMJFAINSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449630614 274061932 /nfs/dbraw/zinc/06/19/32/274061932.db2.gz NJAIWBWMFCTILR-LNMJFAINSA-N 2 2 302.462 3.225 20 0 DGADLP COc1cccc2c(N3CCC([NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000302389306 274149423 /nfs/dbraw/zinc/14/94/23/274149423.db2.gz BNUWQKASOCBVSL-UHFFFAOYSA-N 2 2 311.429 3.308 20 0 DGADLP COc1cccc2c(N3CC[NH+](C4CCCC4)CC3)cc[nH+]c12 ZINC000302470008 274149909 /nfs/dbraw/zinc/14/99/09/274149909.db2.gz TZXLZILQQSKTCT-UHFFFAOYSA-N 2 2 311.429 3.308 20 0 DGADLP CS[C@H]1CN(c2cc[nH+]c3ccsc32)C[C@@H]1[NH+]1CCCC1 ZINC000445606508 274187057 /nfs/dbraw/zinc/18/70/57/274187057.db2.gz CACAIKMLPZDNME-GJZGRUSLSA-N 2 2 319.499 3.312 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297883607 274342658 /nfs/dbraw/zinc/34/26/58/274342658.db2.gz VFLAOWCXCLKSGK-WPGHFRTFSA-N 2 2 305.853 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297883607 274342659 /nfs/dbraw/zinc/34/26/59/274342659.db2.gz VFLAOWCXCLKSGK-WPGHFRTFSA-N 2 2 305.853 3.185 20 0 DGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422903500 274669498 /nfs/dbraw/zinc/66/94/98/274669498.db2.gz WGEINAACLYXERG-QEJZJMRPSA-N 2 2 302.418 3.159 20 0 DGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423563894 275371361 /nfs/dbraw/zinc/37/13/61/275371361.db2.gz RRBSMXICZHOOCC-UKRRQHHQSA-N 2 2 309.251 3.168 20 0 DGADLP Brc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423195992 275373809 /nfs/dbraw/zinc/37/38/09/275373809.db2.gz UEYBZQICWPEDFT-XHDPSFHLSA-N 2 2 309.251 3.168 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342488 276188199 /nfs/dbraw/zinc/18/81/99/276188199.db2.gz UUQBNAKLRKEPMU-HKUYNNGSSA-N 2 2 314.473 3.463 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431342488 276188200 /nfs/dbraw/zinc/18/82/00/276188200.db2.gz UUQBNAKLRKEPMU-HKUYNNGSSA-N 2 2 314.473 3.463 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423390608 276270905 /nfs/dbraw/zinc/27/09/05/276270905.db2.gz ORTHILGHAYIDBB-ABAIWWIYSA-N 2 2 311.267 3.414 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423509494 277083192 /nfs/dbraw/zinc/08/31/92/277083192.db2.gz JUDMTKCBOCVUEC-VOBQZIQPSA-N 2 2 323.440 3.051 20 0 DGADLP C[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423228036 277272729 /nfs/dbraw/zinc/27/27/29/277272729.db2.gz XZIAOXBGCAARSJ-CYBMUJFWSA-N 2 2 305.422 3.136 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683725 277274128 /nfs/dbraw/zinc/27/41/28/277274128.db2.gz RFOZZSVMQUXFBJ-OAHLLOKOSA-N 2 2 304.482 3.015 20 0 DGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683725 277274129 /nfs/dbraw/zinc/27/41/29/277274129.db2.gz RFOZZSVMQUXFBJ-OAHLLOKOSA-N 2 2 304.482 3.015 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C(C)(C)O1 ZINC000180188714 278368629 /nfs/dbraw/zinc/36/86/29/278368629.db2.gz GOUWPGJNFRYVCU-CYBMUJFWSA-N 2 2 322.415 3.339 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000422940768 288060316 /nfs/dbraw/zinc/06/03/16/288060316.db2.gz IZUMZYNEHBMWOA-BPUTZDHNSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000157810401 279275399 /nfs/dbraw/zinc/27/53/99/279275399.db2.gz RSXZCSIHHAVQFV-SJORKVTESA-N 2 2 314.477 3.381 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339074490 288124451 /nfs/dbraw/zinc/12/44/51/288124451.db2.gz LXZYUWMREJJQLP-YKCBXCCJSA-N 2 2 314.473 3.227 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339074490 288124452 /nfs/dbraw/zinc/12/44/52/288124452.db2.gz LXZYUWMREJJQLP-YKCBXCCJSA-N 2 2 314.473 3.227 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000341882424 288125100 /nfs/dbraw/zinc/12/51/00/288125100.db2.gz SKTQWOVDBADWSZ-QTXLCTLRSA-N 2 2 320.864 3.242 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000341882424 288125102 /nfs/dbraw/zinc/12/51/02/288125102.db2.gz SKTQWOVDBADWSZ-QTXLCTLRSA-N 2 2 320.864 3.242 20 0 DGADLP Clc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710541 431217721 /nfs/dbraw/zinc/21/77/21/431217721.db2.gz CGYXSZVSUFAXDD-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP Cc1cccc(N2CCC(Nc3cc[nH+]c(C4CC4)n3)CC2)[nH+]1 ZINC000116873221 431536444 /nfs/dbraw/zinc/53/64/44/431536444.db2.gz TWYYTFJPVCOMRO-UHFFFAOYSA-N 2 2 309.417 3.138 20 0 DGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248034623 280035978 /nfs/dbraw/zinc/03/59/78/280035978.db2.gz RFZKMAGJVXWWHE-MKSNKDDYSA-N 2 2 302.462 3.009 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc3cccnc32)CC1 ZINC000077248676 431575600 /nfs/dbraw/zinc/57/56/00/431575600.db2.gz QESHPXZCDJLSFH-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc3cccnc32)CC1 ZINC000077248676 431575606 /nfs/dbraw/zinc/57/56/06/431575606.db2.gz QESHPXZCDJLSFH-UHFFFAOYSA-N 2 2 301.409 3.290 20 0 DGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000077249695 431578832 /nfs/dbraw/zinc/57/88/32/431578832.db2.gz UQYPNMSJGWSEQQ-UHFFFAOYSA-N 2 2 317.477 3.165 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000077249695 431578837 /nfs/dbraw/zinc/57/88/37/431578837.db2.gz UQYPNMSJGWSEQQ-UHFFFAOYSA-N 2 2 317.477 3.165 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119133744 431651863 /nfs/dbraw/zinc/65/18/63/431651863.db2.gz HOXBPIYIWNLRFO-PKOBYXMFSA-N 2 2 324.472 3.052 20 0 DGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119133744 431651869 /nfs/dbraw/zinc/65/18/69/431651869.db2.gz HOXBPIYIWNLRFO-PKOBYXMFSA-N 2 2 324.472 3.052 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000119036698 431637015 /nfs/dbraw/zinc/63/70/15/431637015.db2.gz SDHHRRDWPWFWJE-KVSKMBFKSA-N 2 2 320.477 3.093 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000119112302 431648032 /nfs/dbraw/zinc/64/80/32/431648032.db2.gz YVPFTUHZUWCDKG-HNAYVOBHSA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000119112302 431648039 /nfs/dbraw/zinc/64/80/39/431648039.db2.gz YVPFTUHZUWCDKG-HNAYVOBHSA-N 2 2 324.472 3.409 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100912 431648097 /nfs/dbraw/zinc/64/80/97/431648097.db2.gz KJRAEQNMLYSPKD-RTBURBONSA-N 2 2 312.461 3.125 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000119100912 431648106 /nfs/dbraw/zinc/64/81/06/431648106.db2.gz KJRAEQNMLYSPKD-RTBURBONSA-N 2 2 312.461 3.125 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000119281857 431670733 /nfs/dbraw/zinc/67/07/33/431670733.db2.gz JNKFSOMBPJMPPA-GASCZTMLSA-N 2 2 318.465 3.270 20 0 DGADLP Cc1cc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000119281857 431670740 /nfs/dbraw/zinc/67/07/40/431670740.db2.gz JNKFSOMBPJMPPA-GASCZTMLSA-N 2 2 318.465 3.270 20 0 DGADLP Cc1cc(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119377866 431683111 /nfs/dbraw/zinc/68/31/11/431683111.db2.gz QVIKGZSUYQXMEH-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP Cc1cc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119377866 431683119 /nfs/dbraw/zinc/68/31/19/431683119.db2.gz QVIKGZSUYQXMEH-OAHLLOKOSA-N 2 2 312.417 3.032 20 0 DGADLP COCc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)o1 ZINC000119521143 431702615 /nfs/dbraw/zinc/70/26/15/431702615.db2.gz UGWDFJAWNFTNKI-QGZVFWFLSA-N 2 2 306.450 3.439 20 0 DGADLP COCc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)o1 ZINC000119521143 431702623 /nfs/dbraw/zinc/70/26/23/431702623.db2.gz UGWDFJAWNFTNKI-QGZVFWFLSA-N 2 2 306.450 3.439 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000119231394 431663031 /nfs/dbraw/zinc/66/30/31/431663031.db2.gz ZHRWJNNILOAKSC-IUODEOHRSA-N 2 2 311.267 3.236 20 0 DGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000119231394 431663037 /nfs/dbraw/zinc/66/30/37/431663037.db2.gz ZHRWJNNILOAKSC-IUODEOHRSA-N 2 2 311.267 3.236 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000121448667 431786120 /nfs/dbraw/zinc/78/61/20/431786120.db2.gz SVMTZINRBFLCGG-CYBMUJFWSA-N 2 2 304.438 3.022 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000121448667 431786125 /nfs/dbraw/zinc/78/61/25/431786125.db2.gz SVMTZINRBFLCGG-CYBMUJFWSA-N 2 2 304.438 3.022 20 0 DGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000037644969 431849164 /nfs/dbraw/zinc/84/91/64/431849164.db2.gz RRWYLXFNSWOGEM-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000037644969 431849166 /nfs/dbraw/zinc/84/91/66/431849166.db2.gz RRWYLXFNSWOGEM-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000037859801 431851813 /nfs/dbraw/zinc/85/18/13/431851813.db2.gz HJUNWAXMXUPVCD-AAEUAGOBSA-N 2 2 317.260 3.101 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)CC[C@@H]1[NH3+] ZINC000122243310 431821740 /nfs/dbraw/zinc/82/17/40/431821740.db2.gz VNSXSLJBXDTTAG-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1[NH3+] ZINC000122243310 431821744 /nfs/dbraw/zinc/82/17/44/431821744.db2.gz VNSXSLJBXDTTAG-YGRLFVJLSA-N 2 2 315.230 3.147 20 0 DGADLP CN(CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000123717074 431872455 /nfs/dbraw/zinc/87/24/55/431872455.db2.gz CEOODLSFXNOEFJ-UHFFFAOYSA-N 2 2 324.472 3.167 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000125241298 431918351 /nfs/dbraw/zinc/91/83/51/431918351.db2.gz NLHRHXDFACKMPV-UHFFFAOYSA-N 2 2 316.424 3.132 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000125241298 431918352 /nfs/dbraw/zinc/91/83/52/431918352.db2.gz NLHRHXDFACKMPV-UHFFFAOYSA-N 2 2 316.424 3.132 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)sc1Br ZINC000125226646 431918558 /nfs/dbraw/zinc/91/85/58/431918558.db2.gz LLYMHAWHQFWWNX-UHFFFAOYSA-N 2 2 303.269 3.003 20 0 DGADLP CCCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125259146 431919086 /nfs/dbraw/zinc/91/90/86/431919086.db2.gz FFAOSLBQXWNBMI-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125259146 431919087 /nfs/dbraw/zinc/91/90/87/431919087.db2.gz FFAOSLBQXWNBMI-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123775965 431874068 /nfs/dbraw/zinc/87/40/68/431874068.db2.gz QZQUNMMVNDDRIS-QGZVFWFLSA-N 3 2 318.509 3.151 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684126 431877237 /nfs/dbraw/zinc/87/72/37/431877237.db2.gz OHYQPXDALXATNY-FZMZJTMJSA-N 2 2 309.251 3.336 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000044684126 431877240 /nfs/dbraw/zinc/87/72/40/431877240.db2.gz OHYQPXDALXATNY-FZMZJTMJSA-N 2 2 309.251 3.336 20 0 DGADLP Cc1ccc([C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C2CC2)cc1 ZINC000091339309 431904205 /nfs/dbraw/zinc/90/42/05/431904205.db2.gz OCADOZZCQMXJDY-SFHVURJKSA-N 2 2 302.462 3.147 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H](c2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000091279591 431904285 /nfs/dbraw/zinc/90/42/85/431904285.db2.gz WSNDETIENIQAIB-MDZRGWNJSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000127458230 431972629 /nfs/dbraw/zinc/97/26/29/431972629.db2.gz WOSCURMLNOMLJH-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000127458230 431972630 /nfs/dbraw/zinc/97/26/30/431972630.db2.gz WOSCURMLNOMLJH-UHFFFAOYSA-N 2 2 309.417 3.104 20 0 DGADLP CCC(CC)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125791741 431936378 /nfs/dbraw/zinc/93/63/78/431936378.db2.gz DZMVOOMGBJFCLY-QZTJIDSGSA-N 2 2 314.477 3.455 20 0 DGADLP CCC(CC)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125791308 431936541 /nfs/dbraw/zinc/93/65/41/431936541.db2.gz DZMVOOMGBJFCLY-MSOLQXFVSA-N 2 2 314.477 3.455 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000125912447 431937853 /nfs/dbraw/zinc/93/78/53/431937853.db2.gz XBZNFKWFRNUKPP-UHFFFAOYSA-N 2 2 308.853 3.239 20 0 DGADLP C[N@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000126134750 431942796 /nfs/dbraw/zinc/94/27/96/431942796.db2.gz FAXPWNQQLYKQBJ-IBGZPJMESA-N 2 2 320.440 3.221 20 0 DGADLP C[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000126134750 431942799 /nfs/dbraw/zinc/94/27/99/431942799.db2.gz FAXPWNQQLYKQBJ-IBGZPJMESA-N 2 2 320.440 3.221 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000097058940 431958923 /nfs/dbraw/zinc/95/89/23/431958923.db2.gz FFNAYTVXEWOXAR-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000097058940 431958925 /nfs/dbraw/zinc/95/89/25/431958925.db2.gz FFNAYTVXEWOXAR-CYBMUJFWSA-N 2 2 316.474 3.209 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000126851902 431959891 /nfs/dbraw/zinc/95/98/91/431959891.db2.gz OXBNDOHDOFBYHZ-MRXNPFEDSA-N 2 2 301.434 3.488 20 0 DGADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000053201383 431961732 /nfs/dbraw/zinc/96/17/32/431961732.db2.gz AJBRPPVQPZBSQF-AAEUAGOBSA-N 2 2 302.340 3.330 20 0 DGADLP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000053201383 431961733 /nfs/dbraw/zinc/96/17/33/431961733.db2.gz AJBRPPVQPZBSQF-AAEUAGOBSA-N 2 2 302.340 3.330 20 0 DGADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000128099442 431986943 /nfs/dbraw/zinc/98/69/43/431986943.db2.gz PWZJAAXYMIIYPL-AWEZNQCLSA-N 2 2 301.409 3.460 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000128099442 431986945 /nfs/dbraw/zinc/98/69/45/431986945.db2.gz PWZJAAXYMIIYPL-AWEZNQCLSA-N 2 2 301.409 3.460 20 0 DGADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338485 281372949 /nfs/dbraw/zinc/37/29/49/281372949.db2.gz PUJRWOBZDUECTF-HZPDHXFCSA-N 2 2 312.461 3.173 20 0 DGADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338485 281372954 /nfs/dbraw/zinc/37/29/54/281372954.db2.gz PUJRWOBZDUECTF-HZPDHXFCSA-N 2 2 312.461 3.173 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183279164 432277840 /nfs/dbraw/zinc/27/78/40/432277840.db2.gz FTXJVEMSUPCQGT-GOSISDBHSA-N 2 2 315.436 3.488 20 0 DGADLP c1cn(CCC[N@@H+](Cc2ccccc2)CC2CCOCC2)c[nH+]1 ZINC000183177410 432265226 /nfs/dbraw/zinc/26/52/26/432265226.db2.gz GUVSPQKYYKYGMJ-UHFFFAOYSA-N 2 2 313.445 3.202 20 0 DGADLP c1cn(CCC[N@H+](Cc2ccccc2)CC2CCOCC2)c[nH+]1 ZINC000183177410 432265229 /nfs/dbraw/zinc/26/52/29/432265229.db2.gz GUVSPQKYYKYGMJ-UHFFFAOYSA-N 2 2 313.445 3.202 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc3)[nH+]c12 ZINC000192099586 432331815 /nfs/dbraw/zinc/33/18/15/432331815.db2.gz MPBXEMBQZZGMSO-ZIAGYGMSSA-N 2 2 322.412 3.232 20 0 DGADLP Cc1cccn2c(C[NH2+]CCc3c[nH]c4ccccc34)c[nH+]c12 ZINC000174238537 432332084 /nfs/dbraw/zinc/33/20/84/432332084.db2.gz GGMMRJJNUMJMLS-UHFFFAOYSA-N 2 2 304.397 3.456 20 0 DGADLP C[C@@H](CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000249107308 432339537 /nfs/dbraw/zinc/33/95/37/432339537.db2.gz XFXMHXNOKQBXFE-ZWKOTPCHSA-N 2 2 316.489 3.365 20 0 DGADLP C[C@@H](CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000249107308 432339541 /nfs/dbraw/zinc/33/95/41/432339541.db2.gz XFXMHXNOKQBXFE-ZWKOTPCHSA-N 2 2 316.489 3.365 20 0 DGADLP CCN(CC)c1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000271177851 432346552 /nfs/dbraw/zinc/34/65/52/432346552.db2.gz GQQMCUQSRUSWPW-UHFFFAOYSA-N 2 2 319.478 3.092 20 0 DGADLP CCc1nc(C)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000152737829 432352605 /nfs/dbraw/zinc/35/26/05/432352605.db2.gz ATIXUQHGDQQRBY-LBPRGKRZSA-N 2 2 318.490 3.440 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000271202843 432353336 /nfs/dbraw/zinc/35/33/36/432353336.db2.gz JDLVWFRFQSADIG-RDJZCZTQSA-N 2 2 315.486 3.328 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCCc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000271202843 432353341 /nfs/dbraw/zinc/35/33/41/432353341.db2.gz JDLVWFRFQSADIG-RDJZCZTQSA-N 2 2 315.486 3.328 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000174514418 432354224 /nfs/dbraw/zinc/35/42/24/432354224.db2.gz OAHYERJVPHYDEK-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[N@H+]1C ZINC000174514418 432354226 /nfs/dbraw/zinc/35/42/26/432354226.db2.gz OAHYERJVPHYDEK-UKRRQHHQSA-N 2 2 301.459 3.382 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cncc(F)c1 ZINC000152115961 432305581 /nfs/dbraw/zinc/30/55/81/432305581.db2.gz MDLPMNPJXOYXHL-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000152117640 432306582 /nfs/dbraw/zinc/30/65/82/432306582.db2.gz JNTFYIXWEGNUSO-RNIPGJKVSA-N 2 2 304.478 3.209 20 0 DGADLP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000152117640 432306587 /nfs/dbraw/zinc/30/65/87/432306587.db2.gz JNTFYIXWEGNUSO-RNIPGJKVSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000271301881 432371817 /nfs/dbraw/zinc/37/18/17/432371817.db2.gz OXECZCSZEKRPQO-CRAIPNDOSA-N 2 2 313.449 3.278 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000271301881 432371826 /nfs/dbraw/zinc/37/18/26/432371826.db2.gz OXECZCSZEKRPQO-CRAIPNDOSA-N 2 2 313.449 3.278 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000192456365 432377207 /nfs/dbraw/zinc/37/72/07/432377207.db2.gz YVAUHRHXKZOYRY-SNRMKQJTSA-N 2 2 320.477 3.093 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000153083768 432382096 /nfs/dbraw/zinc/38/20/96/432382096.db2.gz AZHCWPITAYOETL-INIZCTEOSA-N 2 2 308.853 3.073 20 0 DGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000271430638 432393554 /nfs/dbraw/zinc/39/35/54/432393554.db2.gz BWMWFCWBTWIMSB-HNNXBMFYSA-N 2 2 310.894 3.400 20 0 DGADLP Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)nc(C(C)C)[nH+]1 ZINC000152873887 432364034 /nfs/dbraw/zinc/36/40/34/432364034.db2.gz DCIGRPFSMGLVJQ-UHFFFAOYSA-N 2 2 316.474 3.292 20 0 DGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000250670469 432367622 /nfs/dbraw/zinc/36/76/22/432367622.db2.gz WWWNHSUXSKEKQC-VBNZEHGJSA-N 2 2 303.450 3.038 20 0 DGADLP CCn1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000153662217 432429511 /nfs/dbraw/zinc/42/95/11/432429511.db2.gz YWAQAXAKJHTRBO-ZDUSSCGKSA-N 2 2 313.380 3.079 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]12 ZINC000261648228 432437113 /nfs/dbraw/zinc/43/71/13/432437113.db2.gz DALQMKPVALYFIX-LERXQTSPSA-N 2 2 305.472 3.041 20 0 DGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccsc4)n3)C[C@@H]12 ZINC000261648228 432437118 /nfs/dbraw/zinc/43/71/18/432437118.db2.gz DALQMKPVALYFIX-LERXQTSPSA-N 2 2 305.472 3.041 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c2ccccc2n1 ZINC000261693821 432441919 /nfs/dbraw/zinc/44/19/19/432441919.db2.gz CMLVSOQMKQMSPY-VQTJNVASSA-N 2 2 317.436 3.470 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c2ccccc2n1 ZINC000261693821 432441924 /nfs/dbraw/zinc/44/19/24/432441924.db2.gz CMLVSOQMKQMSPY-VQTJNVASSA-N 2 2 317.436 3.470 20 0 DGADLP CCC[N@H+](Cc1cc(C(=O)OC)ccc1Cl)C1CC[NH2+]CC1 ZINC000261743613 432447156 /nfs/dbraw/zinc/44/71/56/432447156.db2.gz BPHLQXRUWZCLGQ-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP CCC[N@@H+](Cc1cc(C(=O)OC)ccc1Cl)C1CC[NH2+]CC1 ZINC000261743613 432447159 /nfs/dbraw/zinc/44/71/59/432447159.db2.gz BPHLQXRUWZCLGQ-UHFFFAOYSA-N 2 2 324.852 3.091 20 0 DGADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc(F)c2cccnc12 ZINC000261776968 432449045 /nfs/dbraw/zinc/44/90/45/432449045.db2.gz OURAFEASIJDETM-UHFFFAOYSA-N 2 2 323.415 3.377 20 0 DGADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc(F)c2cccnc12 ZINC000261776968 432449047 /nfs/dbraw/zinc/44/90/47/432449047.db2.gz OURAFEASIJDETM-UHFFFAOYSA-N 2 2 323.415 3.377 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261760340 432449577 /nfs/dbraw/zinc/44/95/77/432449577.db2.gz UUPKHUYNYMFQTN-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261760340 432449582 /nfs/dbraw/zinc/44/95/82/432449582.db2.gz UUPKHUYNYMFQTN-INIZCTEOSA-N 2 2 305.809 3.166 20 0 DGADLP C[C@H]([NH2+]Cc1cscn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272148386 432451796 /nfs/dbraw/zinc/45/17/96/432451796.db2.gz CVDBGGDUFSXSNE-HOCLYGCPSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@H]([NH2+]Cc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272148386 432451799 /nfs/dbraw/zinc/45/17/99/432451799.db2.gz CVDBGGDUFSXSNE-HOCLYGCPSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153884887 432452577 /nfs/dbraw/zinc/45/25/77/432452577.db2.gz UYXCSDLFSZGBDD-VKJFTORMSA-N 2 2 317.477 3.221 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000153884887 432452581 /nfs/dbraw/zinc/45/25/81/432452581.db2.gz UYXCSDLFSZGBDD-VKJFTORMSA-N 2 2 317.477 3.221 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000153894586 432454615 /nfs/dbraw/zinc/45/46/15/432454615.db2.gz RHNOIAHDYQHXIS-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000153894586 432454617 /nfs/dbraw/zinc/45/46/17/432454617.db2.gz RHNOIAHDYQHXIS-AWEZNQCLSA-N 2 2 301.459 3.194 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1Cl ZINC000271530720 432416378 /nfs/dbraw/zinc/41/63/78/432416378.db2.gz RAHKEXKJJDSYIL-VHSSKADRSA-N 2 2 322.880 3.368 20 0 DGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000192838121 432419866 /nfs/dbraw/zinc/41/98/66/432419866.db2.gz RZGGAWKDIMSBSA-FQEVSTJZSA-N 2 2 307.441 3.387 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@@H]1[NH3+] ZINC000262106251 432473243 /nfs/dbraw/zinc/47/32/43/432473243.db2.gz WAHKZFFVQDZLKB-LIRRHRJNSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C[C@@H]1[NH3+] ZINC000262106251 432473250 /nfs/dbraw/zinc/47/32/50/432473250.db2.gz WAHKZFFVQDZLKB-LIRRHRJNSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000262095831 432473352 /nfs/dbraw/zinc/47/33/52/432473352.db2.gz IJGPVWWFWCJACF-RXQRSOPUSA-N 2 2 302.462 3.069 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCSCC1)C1CC1 ZINC000185224361 432478770 /nfs/dbraw/zinc/47/87/70/432478770.db2.gz BPTDBQTYRJDEJG-SFHVURJKSA-N 2 2 304.503 3.382 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCSCC1)C1CC1 ZINC000185224361 432478775 /nfs/dbraw/zinc/47/87/75/432478775.db2.gz BPTDBQTYRJDEJG-SFHVURJKSA-N 2 2 304.503 3.382 20 0 DGADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CC1 ZINC000272304490 432479826 /nfs/dbraw/zinc/47/98/26/432479826.db2.gz SALFWJSKIMZDNW-QGZVFWFLSA-N 2 2 302.466 3.213 20 0 DGADLP C[C@H](CCCCO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000272315256 432480572 /nfs/dbraw/zinc/48/05/72/432480572.db2.gz SKQAVAGZMRPTPS-OAHLLOKOSA-N 2 2 324.896 3.445 20 0 DGADLP CC(C)Oc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000262339997 432482490 /nfs/dbraw/zinc/48/24/90/432482490.db2.gz UEHVGCGFHYESIP-UHFFFAOYSA-N 2 2 302.462 3.438 20 0 DGADLP Clc1cccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000262395770 432484757 /nfs/dbraw/zinc/48/47/57/432484757.db2.gz BVRIIZSKSGIMDU-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1cccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000262395770 432484760 /nfs/dbraw/zinc/48/47/60/432484760.db2.gz BVRIIZSKSGIMDU-KGLIPLIRSA-N 2 2 317.820 3.036 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc2ccccc12 ZINC000262471574 432487596 /nfs/dbraw/zinc/48/75/96/432487596.db2.gz JHHGWMXDFGPPEV-HIFRSBDPSA-N 2 2 315.848 3.380 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc2ccccc12 ZINC000262471574 432487599 /nfs/dbraw/zinc/48/75/99/432487599.db2.gz JHHGWMXDFGPPEV-HIFRSBDPSA-N 2 2 315.848 3.380 20 0 DGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2ccccc2F)s1 ZINC000154285040 432488050 /nfs/dbraw/zinc/48/80/50/432488050.db2.gz GRFBMYAWDYOTHK-QWHCGFSZSA-N 2 2 322.449 3.127 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])[C@H](C)CC)cc2[nH+]1 ZINC000262631211 432495245 /nfs/dbraw/zinc/49/52/45/432495245.db2.gz HBNVGYZMXODAKN-BZNIZROVSA-N 2 2 302.422 3.217 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000261936188 432462437 /nfs/dbraw/zinc/46/24/37/432462437.db2.gz KLMHPBNFCXFPIS-AWEZNQCLSA-N 2 2 320.824 3.093 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000261936188 432462442 /nfs/dbraw/zinc/46/24/42/432462442.db2.gz KLMHPBNFCXFPIS-AWEZNQCLSA-N 2 2 320.824 3.093 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261951892 432463037 /nfs/dbraw/zinc/46/30/37/432463037.db2.gz OBGXVKHEFYUAHT-KRWDZBQOSA-N 2 2 324.472 3.281 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261951892 432463040 /nfs/dbraw/zinc/46/30/40/432463040.db2.gz OBGXVKHEFYUAHT-KRWDZBQOSA-N 2 2 324.472 3.281 20 0 DGADLP C[C@H]([NH2+]Cc1nccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272251799 432470753 /nfs/dbraw/zinc/47/07/53/432470753.db2.gz YNTBUABLEMJAOD-GOEBONIOSA-N 2 2 301.459 3.143 20 0 DGADLP C[C@H]([NH2+]Cc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272251799 432470759 /nfs/dbraw/zinc/47/07/59/432470759.db2.gz YNTBUABLEMJAOD-GOEBONIOSA-N 2 2 301.459 3.143 20 0 DGADLP Cc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)[nH+]1 ZINC000176786464 432552550 /nfs/dbraw/zinc/55/25/50/432552550.db2.gz XFUFPKHDCJWHAO-HNNXBMFYSA-N 2 2 306.454 3.186 20 0 DGADLP COc1cccc2c1CC[N@H+](Cc1c[nH+]c3cc(C)ccn13)CC2 ZINC000194572561 432561619 /nfs/dbraw/zinc/56/16/19/432561619.db2.gz AKVWQWAROSPOSN-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1cccc2c1CC[N@@H+](Cc1c[nH+]c3cc(C)ccn13)CC2 ZINC000194572561 432561622 /nfs/dbraw/zinc/56/16/22/432561622.db2.gz AKVWQWAROSPOSN-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272518087 432517202 /nfs/dbraw/zinc/51/72/02/432517202.db2.gz KZGGIXUOMFOWTK-KRWDZBQOSA-N 2 2 324.472 3.105 20 0 DGADLP C[N@H+]1CCCC[C@H]1CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272518087 432517204 /nfs/dbraw/zinc/51/72/04/432517204.db2.gz KZGGIXUOMFOWTK-KRWDZBQOSA-N 2 2 324.472 3.105 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000154748495 432518035 /nfs/dbraw/zinc/51/80/35/432518035.db2.gz DGQWHRIHFPUXQS-YQQAZPJKSA-N 2 2 305.466 3.079 20 0 DGADLP CCCCOc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000154748495 432518040 /nfs/dbraw/zinc/51/80/40/432518040.db2.gz DGQWHRIHFPUXQS-YQQAZPJKSA-N 2 2 305.466 3.079 20 0 DGADLP C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154976534 432532396 /nfs/dbraw/zinc/53/23/96/432532396.db2.gz OTIBOXOOGSMWON-OAHLLOKOSA-N 2 2 307.397 3.471 20 0 DGADLP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(OC)c1 ZINC000155206488 432543646 /nfs/dbraw/zinc/54/36/46/432543646.db2.gz CGNYMWWRZOLANW-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(OC)c1 ZINC000155206488 432543652 /nfs/dbraw/zinc/54/36/52/432543652.db2.gz CGNYMWWRZOLANW-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(OC)c1 ZINC000155206488 432543656 /nfs/dbraw/zinc/54/36/56/432543656.db2.gz CGNYMWWRZOLANW-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000155206488 432543661 /nfs/dbraw/zinc/54/36/61/432543661.db2.gz CGNYMWWRZOLANW-INIZCTEOSA-N 2 2 306.450 3.010 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000177272096 432606135 /nfs/dbraw/zinc/60/61/35/432606135.db2.gz MRRLFOSBMCILIT-INIZCTEOSA-N 3 2 307.526 3.103 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273569464 432612750 /nfs/dbraw/zinc/61/27/50/432612750.db2.gz XWKKQOYKRMKCPM-ROUUACIJSA-N 2 2 317.408 3.264 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273569464 432612752 /nfs/dbraw/zinc/61/27/52/432612752.db2.gz XWKKQOYKRMKCPM-ROUUACIJSA-N 2 2 317.408 3.264 20 0 DGADLP C[C@H](CCC1CC1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000186256318 432574579 /nfs/dbraw/zinc/57/45/79/432574579.db2.gz YYSOEPACMBAACR-MRXNPFEDSA-N 2 2 302.462 3.187 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000177374826 432617454 /nfs/dbraw/zinc/61/74/54/432617454.db2.gz VVBUKPGVXUGUDG-MRXNPFEDSA-N 2 2 300.446 3.459 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000177374826 432617456 /nfs/dbraw/zinc/61/74/56/432617456.db2.gz VVBUKPGVXUGUDG-MRXNPFEDSA-N 2 2 300.446 3.459 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000274175264 432637419 /nfs/dbraw/zinc/63/74/19/432637419.db2.gz IBTHZCWFNBFQQM-HZSPNIEDSA-N 2 2 312.417 3.277 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000274175264 432637421 /nfs/dbraw/zinc/63/74/21/432637421.db2.gz IBTHZCWFNBFQQM-HZSPNIEDSA-N 2 2 312.417 3.277 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000274330366 432653151 /nfs/dbraw/zinc/65/31/51/432653151.db2.gz RBAVSZQJGWWWDO-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000274330366 432653156 /nfs/dbraw/zinc/65/31/56/432653156.db2.gz RBAVSZQJGWWWDO-UHFFFAOYSA-N 2 2 313.232 3.415 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1F ZINC000187344868 432659344 /nfs/dbraw/zinc/65/93/44/432659344.db2.gz DRDMLVWBZXRRRY-KGLIPLIRSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1F ZINC000187344868 432659345 /nfs/dbraw/zinc/65/93/45/432659345.db2.gz DRDMLVWBZXRRRY-KGLIPLIRSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1F ZINC000187344852 432659848 /nfs/dbraw/zinc/65/98/48/432659848.db2.gz DRDMLVWBZXRRRY-KBPBESRZSA-N 2 2 308.441 3.085 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1F ZINC000187344852 432659850 /nfs/dbraw/zinc/65/98/50/432659850.db2.gz DRDMLVWBZXRRRY-KBPBESRZSA-N 2 2 308.441 3.085 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1Cl ZINC000158975546 432665167 /nfs/dbraw/zinc/66/51/67/432665167.db2.gz GDYWHJSJMNXSSF-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1Cl ZINC000158975546 432665171 /nfs/dbraw/zinc/66/51/71/432665171.db2.gz GDYWHJSJMNXSSF-UWVGGRQHSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000188044680 432700919 /nfs/dbraw/zinc/70/09/19/432700919.db2.gz YUQSKCUAFNKZQR-MISYRCLQSA-N 2 2 316.489 3.055 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199261 432705105 /nfs/dbraw/zinc/70/51/05/432705105.db2.gz KSBXMWIDOPKJCE-KGLIPLIRSA-N 2 2 309.417 3.326 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(Br)cs1 ZINC000226392567 432706599 /nfs/dbraw/zinc/70/65/99/432706599.db2.gz MXNHLLXDUNFRDB-NXEZZACHSA-N 2 2 314.252 3.446 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789615 432708837 /nfs/dbraw/zinc/70/88/37/432708837.db2.gz RBTLFQVRSDNASO-JMSVASOKSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000274789615 432708841 /nfs/dbraw/zinc/70/88/41/432708841.db2.gz RBTLFQVRSDNASO-JMSVASOKSA-N 2 2 320.868 3.045 20 0 DGADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000178228085 432709223 /nfs/dbraw/zinc/70/92/23/432709223.db2.gz MQJXWFZOASQPBR-ZDUSSCGKSA-N 2 2 311.433 3.128 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000178329184 432721439 /nfs/dbraw/zinc/72/14/39/432721439.db2.gz JUDORNDQTHXFHC-STQMWFEESA-N 2 2 316.898 3.409 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000178329184 432721442 /nfs/dbraw/zinc/72/14/42/432721442.db2.gz JUDORNDQTHXFHC-STQMWFEESA-N 2 2 316.898 3.409 20 0 DGADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000187672814 432677071 /nfs/dbraw/zinc/67/70/71/432677071.db2.gz JMMJSDZAHJLEFT-VFNWGFHPSA-N 2 2 310.507 3.149 20 0 DGADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000187672814 432677073 /nfs/dbraw/zinc/67/70/73/432677073.db2.gz JMMJSDZAHJLEFT-VFNWGFHPSA-N 2 2 310.507 3.149 20 0 DGADLP CC(C)C(C)(C)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000187776713 432684802 /nfs/dbraw/zinc/68/48/02/432684802.db2.gz ZJUJNQOHUUKIGN-UHFFFAOYSA-N 2 2 310.405 3.305 20 0 DGADLP c1ccc(OCCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000236710551 432759266 /nfs/dbraw/zinc/75/92/66/432759266.db2.gz AJEUVPLJUISLMT-UHFFFAOYSA-N 2 2 311.429 3.109 20 0 DGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178658583 432762895 /nfs/dbraw/zinc/76/28/95/432762895.db2.gz TYIZNRGFZBPUBF-PXAZEXFGSA-N 2 2 314.433 3.075 20 0 DGADLP C[C@@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000178785436 432776093 /nfs/dbraw/zinc/77/60/93/432776093.db2.gz XZSHPSNQQZDDBS-NSHDSACASA-N 2 2 315.314 3.467 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650764 432776248 /nfs/dbraw/zinc/77/62/48/432776248.db2.gz YGWLHTHGAUDZLQ-ZDUSSCGKSA-N 2 2 300.368 3.479 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650764 432776253 /nfs/dbraw/zinc/77/62/53/432776253.db2.gz YGWLHTHGAUDZLQ-ZDUSSCGKSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650764 432776259 /nfs/dbraw/zinc/77/62/59/432776259.db2.gz YGWLHTHGAUDZLQ-ZDUSSCGKSA-N 2 2 300.368 3.479 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000266650764 432776264 /nfs/dbraw/zinc/77/62/64/432776264.db2.gz YGWLHTHGAUDZLQ-ZDUSSCGKSA-N 2 2 300.368 3.479 20 0 DGADLP c1coc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCCC2)c1 ZINC000267207370 432821842 /nfs/dbraw/zinc/82/18/42/432821842.db2.gz KUFQFQKNUQPODU-QGZVFWFLSA-N 2 2 308.385 3.472 20 0 DGADLP CC(C)(C[NH2+]Cc1nccn1-c1ccccc1)C[NH+]1CCCC1 ZINC000276611512 432823368 /nfs/dbraw/zinc/82/33/68/432823368.db2.gz FRESEWSRCMJLMU-UHFFFAOYSA-N 2 2 312.461 3.084 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267282140 432828887 /nfs/dbraw/zinc/82/88/87/432828887.db2.gz OZPLMJFQOCVSBK-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267282140 432828888 /nfs/dbraw/zinc/82/88/88/432828888.db2.gz OZPLMJFQOCVSBK-PBHICJAKSA-N 2 2 315.486 3.452 20 0 DGADLP COCCC[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000267327000 432831912 /nfs/dbraw/zinc/83/19/12/432831912.db2.gz BCVDSJIGRZRODN-UHFFFAOYSA-N 2 2 317.355 3.013 20 0 DGADLP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161524171 432782980 /nfs/dbraw/zinc/78/29/80/432782980.db2.gz OOBGQJOXCHTIHS-LPHOPBHVSA-N 2 2 321.424 3.299 20 0 DGADLP CC[N@H+](C)C[C@@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000276203091 432783142 /nfs/dbraw/zinc/78/31/42/432783142.db2.gz IZFDNLORJASCDK-HNNXBMFYSA-N 2 2 313.445 3.330 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000276203091 432783147 /nfs/dbraw/zinc/78/31/47/432783147.db2.gz IZFDNLORJASCDK-HNNXBMFYSA-N 2 2 313.445 3.330 20 0 DGADLP C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161524417 432783309 /nfs/dbraw/zinc/78/33/09/432783309.db2.gz OOBGQJOXCHTIHS-QFBILLFUSA-N 2 2 321.424 3.299 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000276254747 432789678 /nfs/dbraw/zinc/78/96/78/432789678.db2.gz QBSXZTCZWYHODH-IRXDYDNUSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000276254747 432789681 /nfs/dbraw/zinc/78/96/81/432789681.db2.gz QBSXZTCZWYHODH-IRXDYDNUSA-N 2 2 313.445 3.378 20 0 DGADLP C[N@@H+](Cc1ccc(F)cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276292292 432792847 /nfs/dbraw/zinc/79/28/47/432792847.db2.gz VXNQGRKUCPLMDV-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[N@H+](Cc1ccc(F)cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276292292 432792850 /nfs/dbraw/zinc/79/28/50/432792850.db2.gz VXNQGRKUCPLMDV-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)cn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276292292 432792853 /nfs/dbraw/zinc/79/28/53/432792853.db2.gz VXNQGRKUCPLMDV-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP C[NH+](Cc1ccc(F)cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276292292 432792857 /nfs/dbraw/zinc/79/28/57/432792857.db2.gz VXNQGRKUCPLMDV-KRWDZBQOSA-N 2 2 313.420 3.175 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Br ZINC000237594602 432793656 /nfs/dbraw/zinc/79/36/56/432793656.db2.gz JGOGVMALYDFMRC-OCCSQVGLSA-N 2 2 323.278 3.472 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Br ZINC000237594602 432793659 /nfs/dbraw/zinc/79/36/59/432793659.db2.gz JGOGVMALYDFMRC-OCCSQVGLSA-N 2 2 323.278 3.472 20 0 DGADLP CC(C)OC1CC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000189516694 432795049 /nfs/dbraw/zinc/79/50/49/432795049.db2.gz RKKMZDDRMXCDNH-UHFFFAOYSA-N 2 2 313.445 3.020 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000161872973 432801888 /nfs/dbraw/zinc/80/18/88/432801888.db2.gz QVARUAVTIPTXRN-GDBMZVCRSA-N 2 2 300.450 3.053 20 0 DGADLP CC(C)c1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000161872973 432801891 /nfs/dbraw/zinc/80/18/91/432801891.db2.gz QVARUAVTIPTXRN-GDBMZVCRSA-N 2 2 300.450 3.053 20 0 DGADLP Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)nc(C2CC2)[nH+]1 ZINC000276383798 432802037 /nfs/dbraw/zinc/80/20/37/432802037.db2.gz ZJIJBRGGBPZCLU-UHFFFAOYSA-N 2 2 310.445 3.379 20 0 DGADLP Cc1nc(N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc[nH+]1 ZINC000162099345 432811871 /nfs/dbraw/zinc/81/18/71/432811871.db2.gz QMKWJRJRGKRKFC-UHFFFAOYSA-N 2 2 304.825 3.007 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000276523635 432814080 /nfs/dbraw/zinc/81/40/80/432814080.db2.gz GPSNVPVKDHPZSF-CQSZACIVSA-N 2 2 323.400 3.331 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000162146497 432815130 /nfs/dbraw/zinc/81/51/30/432815130.db2.gz CWQTXKCENVNOOM-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)n1-c1ccccc1 ZINC000245788107 432863218 /nfs/dbraw/zinc/86/32/18/432863218.db2.gz VOTQRNMCYJWTKS-QFBILLFUSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)n1-c1ccccc1 ZINC000245788107 432863221 /nfs/dbraw/zinc/86/32/21/432863221.db2.gz VOTQRNMCYJWTKS-QFBILLFUSA-N 2 2 311.429 3.182 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277396902 432846000 /nfs/dbraw/zinc/84/60/00/432846000.db2.gz ZEDYJDHUGWNAQN-OAHLLOKOSA-N 2 2 324.852 3.043 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277396902 432846003 /nfs/dbraw/zinc/84/60/03/432846003.db2.gz ZEDYJDHUGWNAQN-OAHLLOKOSA-N 2 2 324.852 3.043 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2cccc(Br)c21 ZINC000423245585 288761883 /nfs/dbraw/zinc/76/18/83/288761883.db2.gz YRJIKLBIZFELFN-GYSYKLTISA-N 2 2 309.251 3.339 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597948 432849301 /nfs/dbraw/zinc/84/93/01/432849301.db2.gz HYOXQDVLBRLHCR-HUUCEWRRSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597948 432849305 /nfs/dbraw/zinc/84/93/05/432849305.db2.gz HYOXQDVLBRLHCR-HUUCEWRRSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597948 432849309 /nfs/dbraw/zinc/84/93/09/432849309.db2.gz HYOXQDVLBRLHCR-HUUCEWRRSA-N 2 2 322.449 3.099 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000245597948 432849312 /nfs/dbraw/zinc/84/93/12/432849312.db2.gz HYOXQDVLBRLHCR-HUUCEWRRSA-N 2 2 322.449 3.099 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000297032599 432950472 /nfs/dbraw/zinc/95/04/72/432950472.db2.gz MBHPDRSEOPWHEK-CYBMUJFWSA-N 2 2 316.449 3.037 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000297032599 432950474 /nfs/dbraw/zinc/95/04/74/432950474.db2.gz MBHPDRSEOPWHEK-CYBMUJFWSA-N 2 2 316.449 3.037 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000289228451 432935448 /nfs/dbraw/zinc/93/54/48/432935448.db2.gz YJHKDGIJPQLUCA-QGZVFWFLSA-N 2 2 312.413 3.094 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000289241763 432936449 /nfs/dbraw/zinc/93/64/49/432936449.db2.gz LEMPLFUZXSMJFX-UHFFFAOYSA-N 2 2 311.429 3.296 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000289296731 432942130 /nfs/dbraw/zinc/94/21/30/432942130.db2.gz RRDPMYONXVVLRD-HSMVNMDESA-N 2 2 304.409 3.036 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000289296731 432942132 /nfs/dbraw/zinc/94/21/32/432942132.db2.gz RRDPMYONXVVLRD-HSMVNMDESA-N 2 2 304.409 3.036 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000289322223 432945213 /nfs/dbraw/zinc/94/52/13/432945213.db2.gz TYMPOSODJAWLEJ-UHFFFAOYSA-N 2 2 324.472 3.498 20 0 DGADLP COC(=O)c1coc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000278789599 432900453 /nfs/dbraw/zinc/90/04/53/432900453.db2.gz QHIRRWXNXDJHDO-IUODEOHRSA-N 2 2 310.438 3.083 20 0 DGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000349461168 432964672 /nfs/dbraw/zinc/96/46/72/432964672.db2.gz QOXMHKGLAASUBR-XLIONFOSSA-N 2 2 324.472 3.276 20 0 DGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000349461168 432964677 /nfs/dbraw/zinc/96/46/77/432964677.db2.gz QOXMHKGLAASUBR-XLIONFOSSA-N 2 2 324.472 3.276 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000349505986 432967896 /nfs/dbraw/zinc/96/78/96/432967896.db2.gz ULINPIUEDXVYKZ-IBGZPJMESA-N 2 2 324.472 3.419 20 0 DGADLP Clc1cnc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000349569551 432976485 /nfs/dbraw/zinc/97/64/85/432976485.db2.gz PIVCXPDRKLWLGR-UHFFFAOYSA-N 2 2 321.877 3.335 20 0 DGADLP Clc1cnc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000349569551 432976488 /nfs/dbraw/zinc/97/64/88/432976488.db2.gz PIVCXPDRKLWLGR-UHFFFAOYSA-N 2 2 321.877 3.335 20 0 DGADLP CCSc1cccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000349631423 432983453 /nfs/dbraw/zinc/98/34/53/432983453.db2.gz NZUCHCQOHJGZFP-KRWDZBQOSA-N 2 2 322.518 3.245 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349424675 432958875 /nfs/dbraw/zinc/95/88/75/432958875.db2.gz UGOSGYLRJXXKSD-GWFLUQINSA-N 2 2 302.462 3.053 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000349424675 432958879 /nfs/dbraw/zinc/95/88/79/432958879.db2.gz UGOSGYLRJXXKSD-GWFLUQINSA-N 2 2 302.462 3.053 20 0 DGADLP Cc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341092879 432960920 /nfs/dbraw/zinc/96/09/20/432960920.db2.gz SYNHDDQCADRRHJ-HNNXBMFYSA-N 2 2 310.445 3.595 20 0 DGADLP Cc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341092879 432960925 /nfs/dbraw/zinc/96/09/25/432960925.db2.gz SYNHDDQCADRRHJ-HNNXBMFYSA-N 2 2 310.445 3.595 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808600 432962607 /nfs/dbraw/zinc/96/26/07/432962607.db2.gz NCPCRYFOYMPJNG-STQMWFEESA-N 2 2 320.462 3.343 20 0 DGADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000331808600 432962611 /nfs/dbraw/zinc/96/26/11/432962611.db2.gz NCPCRYFOYMPJNG-STQMWFEESA-N 2 2 320.462 3.343 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@H]([NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC000297656896 433004057 /nfs/dbraw/zinc/00/40/57/433004057.db2.gz NPMJNFWAVPKXSV-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP c1ccc(C[N@H+]2CC[C@H]([NH+]3CCC4(CCOCC4)CC3)C2)cc1 ZINC000297656896 433004063 /nfs/dbraw/zinc/00/40/63/433004063.db2.gz NPMJNFWAVPKXSV-IBGZPJMESA-N 2 2 314.473 3.154 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccn(C(C)C)n1)CCC2 ZINC000341246243 433004468 /nfs/dbraw/zinc/00/44/68/433004468.db2.gz HGCNGDHZHJRYFG-ZBFHGGJFSA-N 2 2 315.465 3.067 20 0 DGADLP CC(C)c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258511 433007162 /nfs/dbraw/zinc/00/71/62/433007162.db2.gz LLWHKTZZYSUSID-GJZGRUSLSA-N 2 2 302.466 3.762 20 0 DGADLP CC(C)c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000341258511 433007165 /nfs/dbraw/zinc/00/71/65/433007165.db2.gz LLWHKTZZYSUSID-GJZGRUSLSA-N 2 2 302.466 3.762 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718628 433010082 /nfs/dbraw/zinc/01/00/82/433010082.db2.gz RQYWHRNDACDCSA-AAEUAGOBSA-N 2 2 324.852 3.159 20 0 DGADLP CCOc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc(Cl)c1O ZINC000297718628 433010085 /nfs/dbraw/zinc/01/00/85/433010085.db2.gz RQYWHRNDACDCSA-AAEUAGOBSA-N 2 2 324.852 3.159 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000349801151 433010570 /nfs/dbraw/zinc/01/05/70/433010570.db2.gz PGDALEPAYJCOKB-INIZCTEOSA-N 2 2 323.506 3.299 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000349801151 433010574 /nfs/dbraw/zinc/01/05/74/433010574.db2.gz PGDALEPAYJCOKB-INIZCTEOSA-N 2 2 323.506 3.299 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766196 433015013 /nfs/dbraw/zinc/01/50/13/433015013.db2.gz OZFXKKFYIMIHKE-QRQLOZEOSA-N 2 2 324.472 3.043 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2nccn21 ZINC000297766196 433015018 /nfs/dbraw/zinc/01/50/18/433015018.db2.gz OZFXKKFYIMIHKE-QRQLOZEOSA-N 2 2 324.472 3.043 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000290240740 433018026 /nfs/dbraw/zinc/01/80/26/433018026.db2.gz GTLVNCSDVNHCSL-CQSZACIVSA-N 2 2 312.417 3.164 20 0 DGADLP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000341292407 433018678 /nfs/dbraw/zinc/01/86/78/433018678.db2.gz GNQYOGGPVVGFDO-KBPBESRZSA-N 2 2 310.869 3.053 20 0 DGADLP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000290307803 433028880 /nfs/dbraw/zinc/02/88/80/433028880.db2.gz ZLBHPGNHXGSVFY-KGLIPLIRSA-N 2 2 310.869 3.317 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399848 433046676 /nfs/dbraw/zinc/04/66/76/433046676.db2.gz KIBYPCVVLPXISE-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399848 433046685 /nfs/dbraw/zinc/04/66/85/433046685.db2.gz KIBYPCVVLPXISE-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399848 433046688 /nfs/dbraw/zinc/04/66/88/433046688.db2.gz KIBYPCVVLPXISE-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3Cl)CC[C@@H]21 ZINC000290399848 433046692 /nfs/dbraw/zinc/04/66/92/433046692.db2.gz KIBYPCVVLPXISE-AAEUAGOBSA-N 2 2 314.260 3.305 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)n1C ZINC000419714890 433068610 /nfs/dbraw/zinc/06/86/10/433068610.db2.gz UUWRYTAQOVTSNS-WMZOPIPTSA-N 2 2 312.461 3.160 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341462288 433070660 /nfs/dbraw/zinc/07/06/60/433070660.db2.gz BHMNSQORNCLHGK-GOSISDBHSA-N 2 2 322.456 3.739 20 0 DGADLP Cc1cc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341462288 433070674 /nfs/dbraw/zinc/07/06/74/433070674.db2.gz BHMNSQORNCLHGK-GOSISDBHSA-N 2 2 322.456 3.739 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)n1C ZINC000419737934 433065663 /nfs/dbraw/zinc/06/56/63/433065663.db2.gz YKOKCEANKWQGQT-CTYIDZIISA-N 2 2 318.852 3.175 20 0 DGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000341503542 433099291 /nfs/dbraw/zinc/09/92/91/433099291.db2.gz GWRCVELAPRABKA-CYBMUJFWSA-N 2 2 316.367 3.374 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000290544664 433089413 /nfs/dbraw/zinc/08/94/13/433089413.db2.gz YUZTYAIGRVVSEO-XLIONFOSSA-N 2 2 312.457 3.467 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000290544657 433089461 /nfs/dbraw/zinc/08/94/61/433089461.db2.gz YUZTYAIGRVVSEO-FXAWDEMLSA-N 2 2 312.457 3.467 20 0 DGADLP Fc1ccc(N2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000373213763 433128045 /nfs/dbraw/zinc/12/80/45/433128045.db2.gz AITMMBHWAARFBS-UHFFFAOYSA-N 2 2 324.403 3.186 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000373225937 433134050 /nfs/dbraw/zinc/13/40/50/433134050.db2.gz BOCILHKELCZISO-CYBMUJFWSA-N 2 2 304.463 3.380 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000373225937 433134057 /nfs/dbraw/zinc/13/40/57/433134057.db2.gz BOCILHKELCZISO-CYBMUJFWSA-N 2 2 304.463 3.380 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420253502 433137035 /nfs/dbraw/zinc/13/70/35/433137035.db2.gz BCFFHIHFSDGNIY-KBPBESRZSA-N 2 2 316.493 3.260 20 0 DGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO2)cc1 ZINC000298444806 433141149 /nfs/dbraw/zinc/14/11/49/433141149.db2.gz NSLPOQBZQMZPHR-RTBURBONSA-N 2 2 300.446 3.123 20 0 DGADLP C[C@@](C[NH3+])([NH2+]Cc1nc(-c2c(F)cccc2F)cs1)C1CC1 ZINC000420298266 433150520 /nfs/dbraw/zinc/15/05/20/433150520.db2.gz ZURPFASGNHHEBM-INIZCTEOSA-N 2 2 323.412 3.305 20 0 DGADLP CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H](C)[NH3+])CC2)cc1 ZINC000420296857 433150831 /nfs/dbraw/zinc/15/08/31/433150831.db2.gz CEYFKWWXVGAHMP-HNNXBMFYSA-N 2 2 302.462 3.127 20 0 DGADLP C[NH2+]CC1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000420180105 433118377 /nfs/dbraw/zinc/11/83/77/433118377.db2.gz CBGDISZZRLHCIH-UHFFFAOYSA-N 2 2 304.482 3.333 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)n1C ZINC000425319628 433160324 /nfs/dbraw/zinc/16/03/24/433160324.db2.gz BCYCVLOCKXXACG-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)n1C ZINC000425319628 433160338 /nfs/dbraw/zinc/16/03/38/433160338.db2.gz BCYCVLOCKXXACG-INIZCTEOSA-N 2 2 318.852 3.477 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000420316893 433162679 /nfs/dbraw/zinc/16/26/79/433162679.db2.gz NZAGTMTYENKCMC-LSDHHAIUSA-N 2 2 308.853 3.169 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000420316893 433162686 /nfs/dbraw/zinc/16/26/86/433162686.db2.gz NZAGTMTYENKCMC-LSDHHAIUSA-N 2 2 308.853 3.169 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000420324022 433164762 /nfs/dbraw/zinc/16/47/62/433164762.db2.gz UXNAUDWGRKNAOY-INIZCTEOSA-N 2 2 320.440 3.318 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000420324022 433164769 /nfs/dbraw/zinc/16/47/69/433164769.db2.gz UXNAUDWGRKNAOY-INIZCTEOSA-N 2 2 320.440 3.318 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@@H+]1C1CC1 ZINC000453412417 433165771 /nfs/dbraw/zinc/16/57/71/433165771.db2.gz HTFSOKHTOGCQCZ-DSJMHWKBSA-N 2 2 306.475 3.183 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)C[N@H+]1C1CC1 ZINC000453412417 433165783 /nfs/dbraw/zinc/16/57/83/433165783.db2.gz HTFSOKHTOGCQCZ-DSJMHWKBSA-N 2 2 306.475 3.183 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1C ZINC000420334729 433171033 /nfs/dbraw/zinc/17/10/33/433171033.db2.gz LCDUTZZTRDSZIK-SJCJKPOMSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1C ZINC000420334729 433171037 /nfs/dbraw/zinc/17/10/37/433171037.db2.gz LCDUTZZTRDSZIK-SJCJKPOMSA-N 2 2 302.462 3.374 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000425334908 433171699 /nfs/dbraw/zinc/17/16/99/433171699.db2.gz HSCHHFYFDSNCSC-KRWDZBQOSA-N 2 2 312.461 3.170 20 0 DGADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000425334908 433171705 /nfs/dbraw/zinc/17/17/05/433171705.db2.gz HSCHHFYFDSNCSC-KRWDZBQOSA-N 2 2 312.461 3.170 20 0 DGADLP COc1c(C)c[nH+]c(CN(C)Cc2c(C)[nH+]c3ccccn32)c1C ZINC000350461986 433174390 /nfs/dbraw/zinc/17/43/90/433174390.db2.gz PEWXLENAGJAHJH-UHFFFAOYSA-N 2 2 324.428 3.295 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCOC1 ZINC000336708197 433176539 /nfs/dbraw/zinc/17/65/39/433176539.db2.gz JPJFZDKAFIMEDW-XGXHKWSGSA-N 2 2 302.462 3.054 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCOC1 ZINC000336708197 433176552 /nfs/dbraw/zinc/17/65/52/433176552.db2.gz JPJFZDKAFIMEDW-XGXHKWSGSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3c2OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336705995 433176662 /nfs/dbraw/zinc/17/66/62/433176662.db2.gz MTKMWIDKBVPLQC-QAPCUYQASA-N 2 2 324.424 3.168 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3c2OCO3)CC[N@H+]1Cc1ccccc1 ZINC000336705995 433176675 /nfs/dbraw/zinc/17/66/75/433176675.db2.gz MTKMWIDKBVPLQC-QAPCUYQASA-N 2 2 324.424 3.168 20 0 DGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338855 433177226 /nfs/dbraw/zinc/17/72/26/433177226.db2.gz QHBNGMGFXFIYCR-HIFRSBDPSA-N 2 2 316.424 3.003 20 0 DGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338855 433177239 /nfs/dbraw/zinc/17/72/39/433177239.db2.gz QHBNGMGFXFIYCR-HIFRSBDPSA-N 2 2 316.424 3.003 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)n1C ZINC000425341301 433178500 /nfs/dbraw/zinc/17/85/00/433178500.db2.gz WYSJWUDBSUBFBJ-HNNXBMFYSA-N 2 2 302.422 3.196 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCCC[C@H]2c2ccco2)n1C ZINC000425341301 433178511 /nfs/dbraw/zinc/17/85/11/433178511.db2.gz WYSJWUDBSUBFBJ-HNNXBMFYSA-N 2 2 302.422 3.196 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000420369207 433180740 /nfs/dbraw/zinc/18/07/40/433180740.db2.gz OEICTCSVGJCZCX-SNVBAGLBSA-N 2 2 307.385 3.159 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000420362135 433182858 /nfs/dbraw/zinc/18/28/58/433182858.db2.gz AKEOPVPRGBPNKV-UHFFFAOYSA-N 2 2 307.488 3.148 20 0 DGADLP C[NH2+]CCC[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000420362135 433182861 /nfs/dbraw/zinc/18/28/61/433182861.db2.gz AKEOPVPRGBPNKV-UHFFFAOYSA-N 2 2 307.488 3.148 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000420364330 433183905 /nfs/dbraw/zinc/18/39/05/433183905.db2.gz KHNKRFNLVHBBTL-HSMVNMDESA-N 2 2 303.837 3.364 20 0 DGADLP CCCCc1ccc([C@@H]([NH2+]Cc2noc(C[NH3+])n2)C(C)C)cc1 ZINC000420374689 433186331 /nfs/dbraw/zinc/18/63/31/433186331.db2.gz OJNJESMRIVJDDL-SFHVURJKSA-N 2 2 316.449 3.358 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445347 433189764 /nfs/dbraw/zinc/18/97/64/433189764.db2.gz YKJLJRQKNRDNJM-YOEHRIQHSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453445347 433189772 /nfs/dbraw/zinc/18/97/72/433189772.db2.gz YKJLJRQKNRDNJM-YOEHRIQHSA-N 2 2 323.431 3.317 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420388437 433191801 /nfs/dbraw/zinc/19/18/01/433191801.db2.gz GXLQCQSNVJHRBU-IJEWVQPXSA-N 2 2 323.506 3.205 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420388437 433191813 /nfs/dbraw/zinc/19/18/13/433191813.db2.gz GXLQCQSNVJHRBU-IJEWVQPXSA-N 2 2 323.506 3.205 20 0 DGADLP CSc1ccccc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420389962 433193770 /nfs/dbraw/zinc/19/37/70/433193770.db2.gz MULNAXGFTMFSFZ-DLBZAZTESA-N 2 2 316.445 3.474 20 0 DGADLP CSc1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420389962 433193781 /nfs/dbraw/zinc/19/37/81/433193781.db2.gz MULNAXGFTMFSFZ-DLBZAZTESA-N 2 2 316.445 3.474 20 0 DGADLP CC(C)(C)[NH+]1CCC(Nc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000425374441 433212267 /nfs/dbraw/zinc/21/22/67/433212267.db2.gz XFTKYNYXOOAAGC-UHFFFAOYSA-N 2 2 302.466 3.357 20 0 DGADLP Cc1cc(Br)c(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000453583345 433214627 /nfs/dbraw/zinc/21/46/27/433214627.db2.gz OAVJDAPVRCKTTL-UHFFFAOYSA-N 2 2 314.252 3.195 20 0 DGADLP c1cn(CC[NH2+][C@H](COc2ccccc2)c2ccccc2)c[nH+]1 ZINC000341696242 433220432 /nfs/dbraw/zinc/22/04/32/433220432.db2.gz LVGKXDGTZOALRC-LJQANCHMSA-N 2 2 307.397 3.293 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280908815 433222719 /nfs/dbraw/zinc/22/27/19/433222719.db2.gz RTPCQNNLDSKIBO-AUUYWEPGSA-N 2 2 323.396 3.202 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447600509 433244062 /nfs/dbraw/zinc/24/40/62/433244062.db2.gz MMXRVLDGEYUPKC-APWZRJJASA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447600509 433244075 /nfs/dbraw/zinc/24/40/75/433244075.db2.gz MMXRVLDGEYUPKC-APWZRJJASA-N 2 2 300.446 3.289 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547281 433264596 /nfs/dbraw/zinc/26/45/96/433264596.db2.gz LWRQQCXUBPXNOB-XHDPSFHLSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547281 433264606 /nfs/dbraw/zinc/26/46/06/433264606.db2.gz LWRQQCXUBPXNOB-XHDPSFHLSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547281 433264611 /nfs/dbraw/zinc/26/46/11/433264611.db2.gz LWRQQCXUBPXNOB-XHDPSFHLSA-N 2 2 316.367 3.183 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000291547281 433264623 /nfs/dbraw/zinc/26/46/23/433264623.db2.gz LWRQQCXUBPXNOB-XHDPSFHLSA-N 2 2 316.367 3.183 20 0 DGADLP O[C@H]1C[C@@H](C[NH2+]CCC2CCCCC2)[N@H+](Cc2ccccc2)C1 ZINC000361587798 433266414 /nfs/dbraw/zinc/26/64/14/433266414.db2.gz WWWZCTRRPKVJGG-PMACEKPBSA-N 2 2 316.489 3.182 20 0 DGADLP O[C@H]1C[C@@H](C[NH2+]CCC2CCCCC2)[N@@H+](Cc2ccccc2)C1 ZINC000361587798 433266421 /nfs/dbraw/zinc/26/64/21/433266421.db2.gz WWWZCTRRPKVJGG-PMACEKPBSA-N 2 2 316.489 3.182 20 0 DGADLP O[C@@H]1C[C@@H](C[NH2+]CCC2CCCCC2)[N@H+](Cc2ccccc2)C1 ZINC000361587801 433267154 /nfs/dbraw/zinc/26/71/54/433267154.db2.gz WWWZCTRRPKVJGG-VQTJNVASSA-N 2 2 316.489 3.182 20 0 DGADLP O[C@@H]1C[C@@H](C[NH2+]CCC2CCCCC2)[N@@H+](Cc2ccccc2)C1 ZINC000361587801 433267164 /nfs/dbraw/zinc/26/71/64/433267164.db2.gz WWWZCTRRPKVJGG-VQTJNVASSA-N 2 2 316.489 3.182 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728316 433267427 /nfs/dbraw/zinc/26/74/27/433267427.db2.gz CRFPEZNZGAYIQX-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728316 433267431 /nfs/dbraw/zinc/26/74/31/433267431.db2.gz CRFPEZNZGAYIQX-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728316 433267438 /nfs/dbraw/zinc/26/74/38/433267438.db2.gz CRFPEZNZGAYIQX-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)[C@H]2C1 ZINC000374728316 433267444 /nfs/dbraw/zinc/26/74/44/433267444.db2.gz CRFPEZNZGAYIQX-DYVFJYSZSA-N 2 2 315.848 3.414 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000350734929 433267607 /nfs/dbraw/zinc/26/76/07/433267607.db2.gz CTAKWMNTQGCIAY-UHFFFAOYSA-N 2 2 321.428 4.015 20 0 DGADLP CC[N@H+](CCC1CC1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420924763 433317410 /nfs/dbraw/zinc/31/74/10/433317410.db2.gz ULRYPFVFHXCFBC-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CC[N@@H+](CCC1CC1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420924763 433317419 /nfs/dbraw/zinc/31/74/19/433317419.db2.gz ULRYPFVFHXCFBC-UHFFFAOYSA-N 2 2 302.462 3.141 20 0 DGADLP CC(C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000420928007 433323221 /nfs/dbraw/zinc/32/32/21/433323221.db2.gz BBSZLTDGLLJTSA-UHFFFAOYSA-N 2 2 302.462 3.282 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000420928007 433323229 /nfs/dbraw/zinc/32/32/29/433323229.db2.gz BBSZLTDGLLJTSA-UHFFFAOYSA-N 2 2 302.462 3.282 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999470 433271533 /nfs/dbraw/zinc/27/15/33/433271533.db2.gz OTDNGMCLNRZYHF-ICSRJNTNSA-N 2 2 314.473 3.035 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999470 433271539 /nfs/dbraw/zinc/27/15/39/433271539.db2.gz OTDNGMCLNRZYHF-ICSRJNTNSA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999470 433271551 /nfs/dbraw/zinc/27/15/51/433271551.db2.gz OTDNGMCLNRZYHF-ICSRJNTNSA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999470 433271553 /nfs/dbraw/zinc/27/15/53/433271553.db2.gz OTDNGMCLNRZYHF-ICSRJNTNSA-N 2 2 314.473 3.035 20 0 DGADLP COC1(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000361603797 433283264 /nfs/dbraw/zinc/28/32/64/433283264.db2.gz RCVSWCSIHVKNFC-INIZCTEOSA-N 2 2 305.466 3.024 20 0 DGADLP COC1(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000361603797 433283275 /nfs/dbraw/zinc/28/32/75/433283275.db2.gz RCVSWCSIHVKNFC-INIZCTEOSA-N 2 2 305.466 3.024 20 0 DGADLP C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000350802086 433288153 /nfs/dbraw/zinc/28/81/53/433288153.db2.gz MLOKJFPARICXMO-ZWKOTPCHSA-N 2 2 316.489 3.435 20 0 DGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425547117 433295344 /nfs/dbraw/zinc/29/53/44/433295344.db2.gz HUCQGJAEYUXBJB-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425547117 433295348 /nfs/dbraw/zinc/29/53/48/433295348.db2.gz HUCQGJAEYUXBJB-IAGOWNOFSA-N 2 2 310.869 3.180 20 0 DGADLP Cc1occc1C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420897060 433298698 /nfs/dbraw/zinc/29/86/98/433298698.db2.gz ADXKDNVOZQYIPA-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP Cc1occc1C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420897060 433298703 /nfs/dbraw/zinc/29/87/03/433298703.db2.gz ADXKDNVOZQYIPA-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420905297 433302136 /nfs/dbraw/zinc/30/21/36/433302136.db2.gz QWEXSVDSDJQCSG-HXUWFJFHSA-N 2 2 314.473 3.283 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@H]2C2CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420905297 433302144 /nfs/dbraw/zinc/30/21/44/433302144.db2.gz QWEXSVDSDJQCSG-HXUWFJFHSA-N 2 2 314.473 3.283 20 0 DGADLP CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902288 433304461 /nfs/dbraw/zinc/30/44/61/433304461.db2.gz MIOZUTJHHZGAHK-LJQANCHMSA-N 2 2 302.462 3.139 20 0 DGADLP CC(C)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902288 433304469 /nfs/dbraw/zinc/30/44/69/433304469.db2.gz MIOZUTJHHZGAHK-LJQANCHMSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914606 433307111 /nfs/dbraw/zinc/30/71/11/433307111.db2.gz CKZUIIKZUUFAJA-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420914606 433307120 /nfs/dbraw/zinc/30/71/20/433307120.db2.gz CKZUIIKZUUFAJA-LPHOPBHVSA-N 2 2 302.462 3.139 20 0 DGADLP CC(C)[C@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835181 433308018 /nfs/dbraw/zinc/30/80/18/433308018.db2.gz MWIOFUNLBFKXSV-HKUYNNGSSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341835181 433308023 /nfs/dbraw/zinc/30/80/23/433308023.db2.gz MWIOFUNLBFKXSV-HKUYNNGSSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341835181 433308029 /nfs/dbraw/zinc/30/80/29/433308029.db2.gz MWIOFUNLBFKXSV-HKUYNNGSSA-N 2 2 304.478 3.254 20 0 DGADLP CC(C)[C@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341835181 433308034 /nfs/dbraw/zinc/30/80/34/433308034.db2.gz MWIOFUNLBFKXSV-HKUYNNGSSA-N 2 2 304.478 3.254 20 0 DGADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896546 433345329 /nfs/dbraw/zinc/34/53/29/433345329.db2.gz OKCAOPKSNXFANH-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896546 433345340 /nfs/dbraw/zinc/34/53/40/433345340.db2.gz OKCAOPKSNXFANH-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896546 433345352 /nfs/dbraw/zinc/34/53/52/433345352.db2.gz OKCAOPKSNXFANH-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000341896546 433345355 /nfs/dbraw/zinc/34/53/55/433345355.db2.gz OKCAOPKSNXFANH-AOIWGVFYSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@H](C[NH2+]Cc1csc(-c2ccc(F)cc2)n1)C[NH+](C)C ZINC000291781058 433350663 /nfs/dbraw/zinc/35/06/63/433350663.db2.gz UWBDYPHIXPSVBH-GFCCVEGCSA-N 2 2 307.438 3.237 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034121 433356076 /nfs/dbraw/zinc/35/60/76/433356076.db2.gz FZVXVZXKJMGYRA-CRAIPNDOSA-N 2 2 304.478 3.336 20 0 DGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448034121 433356085 /nfs/dbraw/zinc/35/60/85/433356085.db2.gz FZVXVZXKJMGYRA-CRAIPNDOSA-N 2 2 304.478 3.336 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414061064 433368347 /nfs/dbraw/zinc/36/83/47/433368347.db2.gz KALAGJJPJWPFDE-MRXNPFEDSA-N 2 2 312.461 3.002 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414061064 433368355 /nfs/dbraw/zinc/36/83/55/433368355.db2.gz KALAGJJPJWPFDE-MRXNPFEDSA-N 2 2 312.461 3.002 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000341882389 433336297 /nfs/dbraw/zinc/33/62/97/433336297.db2.gz HBXZCQWCTMFDNC-SJWGOKEGSA-N 2 2 308.853 3.100 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000341882389 433336306 /nfs/dbraw/zinc/33/63/06/433336306.db2.gz HBXZCQWCTMFDNC-SJWGOKEGSA-N 2 2 308.853 3.100 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339069883 433339030 /nfs/dbraw/zinc/33/90/30/433339030.db2.gz YGAZKHASCADOIB-QXAKKESOSA-N 2 2 302.462 3.228 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339069883 433339040 /nfs/dbraw/zinc/33/90/40/433339040.db2.gz YGAZKHASCADOIB-QXAKKESOSA-N 2 2 302.462 3.228 20 0 DGADLP C[N@H+](C/C=C\c1ccncc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000426152169 433428083 /nfs/dbraw/zinc/42/80/83/433428083.db2.gz ZHVVBPLKJASGSY-PSCPARJHSA-N 2 2 322.456 3.115 20 0 DGADLP C[N@@H+](C/C=C\c1ccncc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000426152169 433428088 /nfs/dbraw/zinc/42/80/88/433428088.db2.gz ZHVVBPLKJASGSY-PSCPARJHSA-N 2 2 322.456 3.115 20 0 DGADLP C[NH+](C/C=C\c1ccncc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000426152169 433428096 /nfs/dbraw/zinc/42/80/96/433428096.db2.gz ZHVVBPLKJASGSY-PSCPARJHSA-N 2 2 322.456 3.115 20 0 DGADLP C[NH+](C/C=C\c1ccncc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000426152169 433428102 /nfs/dbraw/zinc/42/81/02/433428102.db2.gz ZHVVBPLKJASGSY-PSCPARJHSA-N 2 2 322.456 3.115 20 0 DGADLP CCCCOc1ccccc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000361757716 433378751 /nfs/dbraw/zinc/37/87/51/433378751.db2.gz SQUCKCOBBXYPDF-KRWDZBQOSA-N 2 2 320.477 3.066 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000414077564 433378871 /nfs/dbraw/zinc/37/88/71/433378871.db2.gz RETJKMREYKCOOK-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000361763768 433382193 /nfs/dbraw/zinc/38/21/93/433382193.db2.gz GDFQUZQPNVFWKR-UHFFFAOYSA-N 2 2 311.429 3.183 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000414121405 433407439 /nfs/dbraw/zinc/40/74/39/433407439.db2.gz ZLPZWZBKCZVVJH-PBHICJAKSA-N 2 2 308.491 3.092 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339166031 433407939 /nfs/dbraw/zinc/40/79/39/433407939.db2.gz DVIWTHSNTSVTPI-UHFFFAOYSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301094158 433409641 /nfs/dbraw/zinc/40/96/41/433409641.db2.gz MBOCPCBREFICFE-UHFFFAOYSA-N 2 2 302.466 3.221 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000361834789 433412007 /nfs/dbraw/zinc/41/20/07/433412007.db2.gz WOZIDAMFKLMLBL-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000361834789 433412016 /nfs/dbraw/zinc/41/20/16/433412016.db2.gz WOZIDAMFKLMLBL-IBGZPJMESA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000361838856 433412052 /nfs/dbraw/zinc/41/20/52/433412052.db2.gz DXIZVYCBTQOWGT-ZSZQSSIHSA-N 2 2 313.445 3.162 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000361838856 433412060 /nfs/dbraw/zinc/41/20/60/433412060.db2.gz DXIZVYCBTQOWGT-ZSZQSSIHSA-N 2 2 313.445 3.162 20 0 DGADLP c1cn(-c2cccc(-c3noc(C45CCC[NH+]4CCC5)n3)c2)c[nH+]1 ZINC000351205833 433415283 /nfs/dbraw/zinc/41/52/83/433415283.db2.gz IBOFFDVQPNEFPW-UHFFFAOYSA-N 2 2 321.384 3.007 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000361876556 433433165 /nfs/dbraw/zinc/43/31/65/433433165.db2.gz FDZCVZGTGHBZSG-DUXKGJEZSA-N 2 2 324.468 3.220 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000361876556 433433169 /nfs/dbraw/zinc/43/31/69/433433169.db2.gz FDZCVZGTGHBZSG-DUXKGJEZSA-N 2 2 324.468 3.220 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ncsc2C1 ZINC000361851487 433420869 /nfs/dbraw/zinc/42/08/69/433420869.db2.gz WNRUDXQERIZVMN-UHFFFAOYSA-N 2 2 310.426 3.196 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ncsc2C1 ZINC000361851487 433420880 /nfs/dbraw/zinc/42/08/80/433420880.db2.gz WNRUDXQERIZVMN-UHFFFAOYSA-N 2 2 310.426 3.196 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)nn1C ZINC000281959427 433446165 /nfs/dbraw/zinc/44/61/65/433446165.db2.gz AXUMEKAMMYRHTF-WBVHZDCISA-N 2 2 314.477 3.290 20 0 DGADLP Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)nn1C ZINC000281959427 433446170 /nfs/dbraw/zinc/44/61/70/433446170.db2.gz AXUMEKAMMYRHTF-WBVHZDCISA-N 2 2 314.477 3.290 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCNc1[nH+]cnc2[nH]ccc21 ZINC000339233443 433455569 /nfs/dbraw/zinc/45/55/69/433455569.db2.gz UBNKFZQHWJJIFC-UHFFFAOYSA-N 2 2 306.373 3.070 20 0 DGADLP C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301213894 433457091 /nfs/dbraw/zinc/45/70/91/433457091.db2.gz WOKZJOICPWFFJT-STQMWFEESA-N 2 2 319.836 3.409 20 0 DGADLP C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)C[NH+]1CCCCC1 ZINC000301223536 433459626 /nfs/dbraw/zinc/45/96/26/433459626.db2.gz DPGIPGVOGVJJGR-INIZCTEOSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)C[NH+]1CCCCC1 ZINC000301223536 433459636 /nfs/dbraw/zinc/45/96/36/433459636.db2.gz DPGIPGVOGVJJGR-INIZCTEOSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000453201290 290030721 /nfs/dbraw/zinc/03/07/21/290030721.db2.gz WUINQMQUYBEKRE-QBYUYEEZSA-N 2 2 302.466 3.132 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453201290 290030724 /nfs/dbraw/zinc/03/07/24/290030724.db2.gz WUINQMQUYBEKRE-QBYUYEEZSA-N 2 2 302.466 3.132 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000361947802 433464926 /nfs/dbraw/zinc/46/49/26/433464926.db2.gz ZJHDXWNKKGJFAU-CYBMUJFWSA-N 2 2 309.335 3.428 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000361947802 433464933 /nfs/dbraw/zinc/46/49/33/433464933.db2.gz ZJHDXWNKKGJFAU-CYBMUJFWSA-N 2 2 309.335 3.428 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000301233183 433465165 /nfs/dbraw/zinc/46/51/65/433465165.db2.gz IVKQOPWOBQYHEB-AWEZNQCLSA-N 2 2 302.447 3.171 20 0 DGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc[nH+]1 ZINC000301233183 433465176 /nfs/dbraw/zinc/46/51/76/433465176.db2.gz IVKQOPWOBQYHEB-AWEZNQCLSA-N 2 2 302.447 3.171 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000268785068 290059207 /nfs/dbraw/zinc/05/92/07/290059207.db2.gz ZQUMRZGEPBALTC-HUBLWGQQSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000268785068 290059208 /nfs/dbraw/zinc/05/92/08/290059208.db2.gz ZQUMRZGEPBALTC-HUBLWGQQSA-N 2 2 310.388 3.421 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166304822 290060303 /nfs/dbraw/zinc/06/03/03/290060303.db2.gz NFMOFAPTOGRLAW-IPYPFGDCSA-N 2 2 305.441 3.168 20 0 DGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1N(C)C ZINC000166304822 290060306 /nfs/dbraw/zinc/06/03/06/290060306.db2.gz NFMOFAPTOGRLAW-IPYPFGDCSA-N 2 2 305.441 3.168 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000361947516 433466247 /nfs/dbraw/zinc/46/62/47/433466247.db2.gz XZRNJMXRICYVFJ-CYBMUJFWSA-N 2 2 320.234 3.172 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000361947516 433466260 /nfs/dbraw/zinc/46/62/60/433466260.db2.gz XZRNJMXRICYVFJ-CYBMUJFWSA-N 2 2 320.234 3.172 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000414229836 433469782 /nfs/dbraw/zinc/46/97/82/433469782.db2.gz FQPXKHPZNWWUGV-LPWQTFTOSA-N 2 2 316.489 3.300 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000414229836 433469789 /nfs/dbraw/zinc/46/97/89/433469789.db2.gz FQPXKHPZNWWUGV-LPWQTFTOSA-N 2 2 316.489 3.300 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361967987 433475062 /nfs/dbraw/zinc/47/50/62/433475062.db2.gz XXKWJOVSRMDTSU-SJLPKXTDSA-N 2 2 320.502 3.236 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269107 290262941 /nfs/dbraw/zinc/26/29/41/290262941.db2.gz HLTQPZUXECBFDT-OAHLLOKOSA-N 2 2 323.912 3.359 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269107 290262944 /nfs/dbraw/zinc/26/29/44/290262944.db2.gz HLTQPZUXECBFDT-OAHLLOKOSA-N 2 2 323.912 3.359 20 0 DGADLP C[C@H](c1ccccc1Cl)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000089269107 290262946 /nfs/dbraw/zinc/26/29/46/290262946.db2.gz HLTQPZUXECBFDT-OAHLLOKOSA-N 2 2 323.912 3.359 20 0 DGADLP C[C@H](c1ccccc1Cl)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000089269107 290262949 /nfs/dbraw/zinc/26/29/49/290262949.db2.gz HLTQPZUXECBFDT-OAHLLOKOSA-N 2 2 323.912 3.359 20 0 DGADLP COc1ccc(F)c(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000339263948 433477652 /nfs/dbraw/zinc/47/76/52/433477652.db2.gz IURHELJIUYNHDL-UHFFFAOYSA-N 2 2 311.360 3.310 20 0 DGADLP C[NH+](C)[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000301268108 433482138 /nfs/dbraw/zinc/48/21/38/433482138.db2.gz FZVFYIQAFQKFGV-INIZCTEOSA-N 2 2 311.433 3.013 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000282066501 433484233 /nfs/dbraw/zinc/48/42/33/433484233.db2.gz WKWISERJDWYWPI-MSOLQXFVSA-N 2 2 308.441 3.367 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000282066501 433484240 /nfs/dbraw/zinc/48/42/40/433484240.db2.gz WKWISERJDWYWPI-MSOLQXFVSA-N 2 2 308.441 3.367 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(-c3ccccc3)o2)n1C ZINC000414281800 433511145 /nfs/dbraw/zinc/51/11/45/433511145.db2.gz CAGVIOMAOOIXBO-UHFFFAOYSA-N 2 2 310.401 3.036 20 0 DGADLP COc1ccc(F)c(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000339331730 433516756 /nfs/dbraw/zinc/51/67/56/433516756.db2.gz JNQXGFGMASZDBM-UHFFFAOYSA-N 2 2 320.383 3.325 20 0 DGADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000414326325 433541309 /nfs/dbraw/zinc/54/13/09/433541309.db2.gz NLDZCIQNXUFQJI-LJQANCHMSA-N 2 2 316.445 3.387 20 0 DGADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000414326325 433541318 /nfs/dbraw/zinc/54/13/18/433541318.db2.gz NLDZCIQNXUFQJI-LJQANCHMSA-N 2 2 316.445 3.387 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500864 433535085 /nfs/dbraw/zinc/53/50/85/433535085.db2.gz XRMIXQKTYJMOQN-XQHKEYJVSA-N 2 2 320.387 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500864 433535089 /nfs/dbraw/zinc/53/50/89/433535089.db2.gz XRMIXQKTYJMOQN-XQHKEYJVSA-N 2 2 320.387 3.162 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(O)c1Cl)CCC2 ZINC000339282697 433496359 /nfs/dbraw/zinc/49/63/59/433496359.db2.gz APCKLZWFVALADD-ZDUSSCGKSA-N 2 2 305.809 3.218 20 0 DGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342141237 433497994 /nfs/dbraw/zinc/49/79/94/433497994.db2.gz ZWEGRYDPBBLYOO-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342141237 433498004 /nfs/dbraw/zinc/49/80/04/433498004.db2.gz ZWEGRYDPBBLYOO-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2Cl)CCC1 ZINC000342150151 433501485 /nfs/dbraw/zinc/50/14/85/433501485.db2.gz WZRUFQQSEXYUDY-UHFFFAOYSA-N 2 2 303.631 3.074 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344084 433557179 /nfs/dbraw/zinc/55/71/79/433557179.db2.gz YWYJWRKWXLPSBD-XLIONFOSSA-N 2 2 323.484 3.469 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414344084 433557188 /nfs/dbraw/zinc/55/71/88/433557188.db2.gz YWYJWRKWXLPSBD-XLIONFOSSA-N 2 2 323.484 3.469 20 0 DGADLP CCCC[N@H+](C)CC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000301444169 433557367 /nfs/dbraw/zinc/55/73/67/433557367.db2.gz OOBCDHOLWPLJAN-UHFFFAOYSA-N 2 2 304.482 3.350 20 0 DGADLP CCCC[N@@H+](C)CC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000301444169 433557373 /nfs/dbraw/zinc/55/73/73/433557373.db2.gz OOBCDHOLWPLJAN-UHFFFAOYSA-N 2 2 304.482 3.350 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538430 433558732 /nfs/dbraw/zinc/55/87/32/433558732.db2.gz RBZYTWRUSCTLTP-UGSOOPFHSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351538430 433558738 /nfs/dbraw/zinc/55/87/38/433558738.db2.gz RBZYTWRUSCTLTP-UGSOOPFHSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351538430 433558748 /nfs/dbraw/zinc/55/87/48/433558748.db2.gz RBZYTWRUSCTLTP-UGSOOPFHSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351538430 433558753 /nfs/dbraw/zinc/55/87/53/433558753.db2.gz RBZYTWRUSCTLTP-UGSOOPFHSA-N 2 2 322.880 3.321 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)n1C ZINC000414360824 433568752 /nfs/dbraw/zinc/56/87/52/433568752.db2.gz AVXRSRODMWGMIW-KRWDZBQOSA-N 2 2 312.461 3.289 20 0 DGADLP CCc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414364596 433573022 /nfs/dbraw/zinc/57/30/22/433573022.db2.gz MTVKQZVIEVZZNC-UHFFFAOYSA-N 2 2 300.450 3.073 20 0 DGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)(C)c1ccccc1 ZINC000414363598 433573465 /nfs/dbraw/zinc/57/34/65/433573465.db2.gz YDAWZWPAAIMHFS-KRWDZBQOSA-N 2 2 314.477 3.332 20 0 DGADLP CC(C)c1ccc(C[C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414365898 433573489 /nfs/dbraw/zinc/57/34/89/433573489.db2.gz NSQPSYHIGTZTOE-HNNXBMFYSA-N 2 2 314.477 3.330 20 0 DGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc(F)ccc1F ZINC000414362563 433574002 /nfs/dbraw/zinc/57/40/02/433574002.db2.gz VVJKFVHGHRTWLL-OAHLLOKOSA-N 2 2 308.376 3.005 20 0 DGADLP CC(C)c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351566183 433580822 /nfs/dbraw/zinc/58/08/22/433580822.db2.gz GIJLYXRYBRIDIL-UHFFFAOYSA-N 2 2 306.413 4.062 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429333 433581120 /nfs/dbraw/zinc/58/11/20/433581120.db2.gz SNNNCIWFKRSQNA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429333 433581126 /nfs/dbraw/zinc/58/11/26/433581126.db2.gz SNNNCIWFKRSQNA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339429333 433581130 /nfs/dbraw/zinc/58/11/30/433581130.db2.gz SNNNCIWFKRSQNA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429333 433581137 /nfs/dbraw/zinc/58/11/37/433581137.db2.gz SNNNCIWFKRSQNA-QGZVFWFLSA-N 2 2 308.853 3.266 20 0 DGADLP CN(Cc1c[nH+]c2ccccn12)C(C)(C)C[NH+]1CCCCCC1 ZINC000426764678 433586800 /nfs/dbraw/zinc/58/68/00/433586800.db2.gz YCJLNVQLEYCNCZ-UHFFFAOYSA-N 2 2 314.477 3.421 20 0 DGADLP Fc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc(F)c1F ZINC000351570681 433588145 /nfs/dbraw/zinc/58/81/45/433588145.db2.gz ZWHNOEULDHCGIA-UHFFFAOYSA-N 2 2 318.302 3.356 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c1OC(C)(C)C3)CC2 ZINC000351572607 433589139 /nfs/dbraw/zinc/58/91/39/433589139.db2.gz FMFOGKJBRZTCGH-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](Cc1cccc3c1OC(C)(C)C3)CC2 ZINC000351572607 433589150 /nfs/dbraw/zinc/58/91/50/433589150.db2.gz FMFOGKJBRZTCGH-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP COC1(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339443738 433589559 /nfs/dbraw/zinc/58/95/59/433589559.db2.gz DGFPJDLRMBFOBV-AEFFLSMTSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339443738 433589563 /nfs/dbraw/zinc/58/95/63/433589563.db2.gz DGFPJDLRMBFOBV-AEFFLSMTSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@@H]1CCc2nc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)sc2C1 ZINC000351580012 433592689 /nfs/dbraw/zinc/59/26/89/433592689.db2.gz AGDSXJRPNYNVSY-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@@H]1CCc2nc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)sc2C1 ZINC000351580012 433592699 /nfs/dbraw/zinc/59/26/99/433592699.db2.gz AGDSXJRPNYNVSY-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)sc2C1 ZINC000351580012 433592709 /nfs/dbraw/zinc/59/27/09/433592709.db2.gz AGDSXJRPNYNVSY-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP C[C@@H]1CCc2nc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000351580012 433592712 /nfs/dbraw/zinc/59/27/12/433592712.db2.gz AGDSXJRPNYNVSY-KGLIPLIRSA-N 2 2 307.507 3.042 20 0 DGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccccc3)CCCCC2)n1C ZINC000414391267 433592927 /nfs/dbraw/zinc/59/29/27/433592927.db2.gz KKGOBBNYKXSZPI-UHFFFAOYSA-N 2 2 312.461 3.435 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351511792 433542806 /nfs/dbraw/zinc/54/28/06/433542806.db2.gz DFVMBWYWBCRGEL-HFTRVMKXSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)o1 ZINC000351511792 433542814 /nfs/dbraw/zinc/54/28/14/433542814.db2.gz DFVMBWYWBCRGEL-HFTRVMKXSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000351511792 433542821 /nfs/dbraw/zinc/54/28/21/433542821.db2.gz DFVMBWYWBCRGEL-HFTRVMKXSA-N 2 2 320.477 3.070 20 0 DGADLP CCc1ccc([C@@H]2C[C@H](C)CC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351511792 433542830 /nfs/dbraw/zinc/54/28/30/433542830.db2.gz DFVMBWYWBCRGEL-HFTRVMKXSA-N 2 2 320.477 3.070 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccnc1 ZINC000414328398 433545919 /nfs/dbraw/zinc/54/59/19/433545919.db2.gz GYUYWNOCJSAZCS-UHFFFAOYSA-N 2 2 324.472 3.008 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351515906 433546182 /nfs/dbraw/zinc/54/61/82/433546182.db2.gz DLKXPWIWCOQSCJ-SJLPKXTDSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)o1 ZINC000351515906 433546190 /nfs/dbraw/zinc/54/61/90/433546190.db2.gz DLKXPWIWCOQSCJ-SJLPKXTDSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000351515906 433546193 /nfs/dbraw/zinc/54/61/93/433546193.db2.gz DLKXPWIWCOQSCJ-SJLPKXTDSA-N 2 2 320.477 3.214 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000351515906 433546204 /nfs/dbraw/zinc/54/62/04/433546204.db2.gz DLKXPWIWCOQSCJ-SJLPKXTDSA-N 2 2 320.477 3.214 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326611 433546391 /nfs/dbraw/zinc/54/63/91/433546391.db2.gz ASSMSILLFBJMAL-XOYOTBSWSA-N 2 2 311.429 3.031 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414326611 433546398 /nfs/dbraw/zinc/54/63/98/433546398.db2.gz ASSMSILLFBJMAL-XOYOTBSWSA-N 2 2 311.429 3.031 20 0 DGADLP Cc1ccn2c(CNc3ccc(C[NH+](C)C)cc3F)c[nH+]c2c1 ZINC000414481317 433648874 /nfs/dbraw/zinc/64/88/74/433648874.db2.gz BHMDARINOHKLSN-UHFFFAOYSA-N 2 2 312.392 3.456 20 0 DGADLP CCOc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000301617694 433641141 /nfs/dbraw/zinc/64/11/41/433641141.db2.gz AVQFHCZWACGUPU-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP Clc1ccc(O[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293180289 433647230 /nfs/dbraw/zinc/64/72/30/433647230.db2.gz VXBNROFDPLGOJK-INIZCTEOSA-N 2 2 305.809 3.080 20 0 DGADLP Clc1ccc(O[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293180289 433647238 /nfs/dbraw/zinc/64/72/38/433647238.db2.gz VXBNROFDPLGOJK-INIZCTEOSA-N 2 2 305.809 3.080 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C)nn1 ZINC000414408253 433599248 /nfs/dbraw/zinc/59/92/48/433599248.db2.gz LNPMIANPTGWVES-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C)nn1 ZINC000414408253 433599259 /nfs/dbraw/zinc/59/92/59/433599259.db2.gz LNPMIANPTGWVES-QGZVFWFLSA-N 2 2 321.428 3.108 20 0 DGADLP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591344 433602937 /nfs/dbraw/zinc/60/29/37/433602937.db2.gz DDHBUOJWWAYZHV-APWZRJJASA-N 2 2 320.452 3.102 20 0 DGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1F)C1CCCC1)C1CC1 ZINC000351591344 433602940 /nfs/dbraw/zinc/60/29/40/433602940.db2.gz DDHBUOJWWAYZHV-APWZRJJASA-N 2 2 320.452 3.102 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342305210 433605120 /nfs/dbraw/zinc/60/51/20/433605120.db2.gz HIUJZKCJIKZINC-JXFKEZNVSA-N 2 2 309.457 3.397 20 0 DGADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342305210 433605131 /nfs/dbraw/zinc/60/51/31/433605131.db2.gz HIUJZKCJIKZINC-JXFKEZNVSA-N 2 2 309.457 3.397 20 0 DGADLP Clc1c[nH+]ccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000301574209 433619785 /nfs/dbraw/zinc/61/97/85/433619785.db2.gz LUNFLDMULRGTCA-UHFFFAOYSA-N 2 2 301.821 3.447 20 0 DGADLP Clc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000301574209 433619791 /nfs/dbraw/zinc/61/97/91/433619791.db2.gz LUNFLDMULRGTCA-UHFFFAOYSA-N 2 2 301.821 3.447 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366208446 292923942 /nfs/dbraw/zinc/92/39/42/292923942.db2.gz HQYNHLMUXRUNIQ-YJBOKZPZSA-N 2 2 311.429 3.355 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000282731918 433626406 /nfs/dbraw/zinc/62/64/06/433626406.db2.gz MPVFEUMXMPQLIA-NZSAHSFTSA-N 2 2 304.478 3.302 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000282731918 433626413 /nfs/dbraw/zinc/62/64/13/433626413.db2.gz MPVFEUMXMPQLIA-NZSAHSFTSA-N 2 2 304.478 3.302 20 0 DGADLP Cc1[nH+]c2ccccn2c1CNc1ccc(C[NH+](C)C)cc1F ZINC000414480692 433652984 /nfs/dbraw/zinc/65/29/84/433652984.db2.gz ADPQVKWCEZPGLG-UHFFFAOYSA-N 2 2 312.392 3.456 20 0 DGADLP Clc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427118953 433653410 /nfs/dbraw/zinc/65/34/10/433653410.db2.gz CZTGQUKRNUJZQX-XJKSGUPXSA-N 2 2 301.821 3.072 20 0 DGADLP Clc1cc2cccnc2c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427118953 433653416 /nfs/dbraw/zinc/65/34/16/433653416.db2.gz CZTGQUKRNUJZQX-XJKSGUPXSA-N 2 2 301.821 3.072 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cn1 ZINC000356686667 433653810 /nfs/dbraw/zinc/65/38/10/433653810.db2.gz XSWOGNXHHDMODK-CQSZACIVSA-N 2 2 310.376 3.316 20 0 DGADLP CCCCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427107086 433655060 /nfs/dbraw/zinc/65/50/60/433655060.db2.gz INKJYQAWJUVSNC-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427107086 433655069 /nfs/dbraw/zinc/65/50/69/433655069.db2.gz INKJYQAWJUVSNC-SJORKVTESA-N 2 2 318.461 3.058 20 0 DGADLP CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376065566 433655259 /nfs/dbraw/zinc/65/52/59/433655259.db2.gz HLUQITPFLLMZTP-CSNJMZFVSA-N 2 2 323.525 3.019 20 0 DGADLP CCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376065566 433655269 /nfs/dbraw/zinc/65/52/69/433655269.db2.gz HLUQITPFLLMZTP-CSNJMZFVSA-N 2 2 323.525 3.019 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427111979 433655743 /nfs/dbraw/zinc/65/57/43/433655743.db2.gz XVAVRUVHIAGVIZ-YJBOKZPZSA-N 2 2 300.446 3.192 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427111979 433655755 /nfs/dbraw/zinc/65/57/55/433655755.db2.gz XVAVRUVHIAGVIZ-YJBOKZPZSA-N 2 2 300.446 3.192 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376080307 433659545 /nfs/dbraw/zinc/65/95/45/433659545.db2.gz IUUFDOWYOLEAOD-OKZBNKHCSA-N 2 2 318.509 3.300 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376080307 433659552 /nfs/dbraw/zinc/65/95/52/433659552.db2.gz IUUFDOWYOLEAOD-OKZBNKHCSA-N 2 2 318.509 3.300 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000301717538 433692821 /nfs/dbraw/zinc/69/28/21/433692821.db2.gz OBSRWKJGQKAJAD-ZDUSSCGKSA-N 2 2 312.442 3.489 20 0 DGADLP COc1cccc2c(N3CC[NH+](CC4CC4)CC3)cc(C)[nH+]c12 ZINC000301677800 433670113 /nfs/dbraw/zinc/67/01/13/433670113.db2.gz QRCGSYXACSZJKL-UHFFFAOYSA-N 2 2 311.429 3.084 20 0 DGADLP COc1cc(C)ccc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000449018791 433672846 /nfs/dbraw/zinc/67/28/46/433672846.db2.gz UERUWGXWISSBKQ-UHFFFAOYSA-N 2 2 311.429 3.029 20 0 DGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000283129276 433675180 /nfs/dbraw/zinc/67/51/80/433675180.db2.gz ZOSPCCQQQALLMF-IBGZPJMESA-N 2 2 309.457 3.472 20 0 DGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000283129276 433675189 /nfs/dbraw/zinc/67/51/89/433675189.db2.gz ZOSPCCQQQALLMF-IBGZPJMESA-N 2 2 309.457 3.472 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025716 433676684 /nfs/dbraw/zinc/67/66/84/433676684.db2.gz CMAQWVGDSPMZNN-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025716 433676692 /nfs/dbraw/zinc/67/66/92/433676692.db2.gz CMAQWVGDSPMZNN-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025716 433676699 /nfs/dbraw/zinc/67/66/99/433676699.db2.gz CMAQWVGDSPMZNN-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2C2CCCC2)[C@H](C)C1 ZINC000449025716 433676709 /nfs/dbraw/zinc/67/67/09/433676709.db2.gz CMAQWVGDSPMZNN-CRAIPNDOSA-N 2 2 304.482 3.160 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000376165491 433681584 /nfs/dbraw/zinc/68/15/84/433681584.db2.gz ZDIKTSWJRGLUQD-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000376165491 433681593 /nfs/dbraw/zinc/68/15/93/433681593.db2.gz ZDIKTSWJRGLUQD-UHFFFAOYSA-N 2 2 308.853 3.409 20 0 DGADLP Cc1cccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)[nH+]1 ZINC000301701646 433686373 /nfs/dbraw/zinc/68/63/73/433686373.db2.gz QFLLAVUOZFCHTJ-UHFFFAOYSA-N 2 2 301.821 3.366 20 0 DGADLP COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000414484319 433649200 /nfs/dbraw/zinc/64/92/00/433649200.db2.gz PXJBBHRMJKZOLM-YQVWRLOYSA-N 2 2 304.478 3.159 20 0 DGADLP COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000414484319 433649213 /nfs/dbraw/zinc/64/92/13/433649213.db2.gz PXJBBHRMJKZOLM-YQVWRLOYSA-N 2 2 304.478 3.159 20 0 DGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427100553 433649312 /nfs/dbraw/zinc/64/93/12/433649312.db2.gz LMJWVBSOCXGIMC-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427100553 433649326 /nfs/dbraw/zinc/64/93/26/433649326.db2.gz LMJWVBSOCXGIMC-DLBZAZTESA-N 2 2 318.461 3.058 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367057701 293018474 /nfs/dbraw/zinc/01/84/74/293018474.db2.gz MCCMMARHORZOPD-MJGOQNOKSA-N 2 2 301.478 3.429 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367079336 293021988 /nfs/dbraw/zinc/02/19/88/293021988.db2.gz GAGVXKWEGIYHIR-MSOLQXFVSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1cncc(F)c1)C1CC1)CCC2 ZINC000367085170 293023527 /nfs/dbraw/zinc/02/35/27/293023527.db2.gz DVVBGQLIZRWFTQ-WMLDXEAASA-N 2 2 314.408 3.344 20 0 DGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000367281494 293047505 /nfs/dbraw/zinc/04/75/05/293047505.db2.gz YSYPIOMSVRSRJF-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000367281494 293047507 /nfs/dbraw/zinc/04/75/07/293047507.db2.gz YSYPIOMSVRSRJF-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CSCCc3ccccc31)CCCC2 ZINC000367435990 293071793 /nfs/dbraw/zinc/07/17/93/293071793.db2.gz DGVNJQZSONNBMQ-QGZVFWFLSA-N 2 2 313.470 3.340 20 0 DGADLP COC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000367438490 293072167 /nfs/dbraw/zinc/07/21/67/293072167.db2.gz NHFYAXRIWZVIAW-INIZCTEOSA-N 2 2 319.836 3.350 20 0 DGADLP Cc1[nH+]cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n1-c1ccccc1 ZINC000367682885 293089635 /nfs/dbraw/zinc/08/96/35/293089635.db2.gz HMLIZWNKOPGTHH-JXFKEZNVSA-N 2 2 324.472 3.239 20 0 DGADLP COc1ccc(C[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000367754751 293093515 /nfs/dbraw/zinc/09/35/15/293093515.db2.gz QLJLTEJECSIBJB-GOSISDBHSA-N 2 2 313.445 3.237 20 0 DGADLP COc1ccc(C[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000367754751 293093517 /nfs/dbraw/zinc/09/35/17/293093517.db2.gz QLJLTEJECSIBJB-GOSISDBHSA-N 2 2 313.445 3.237 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000371679358 293223380 /nfs/dbraw/zinc/22/33/80/293223380.db2.gz MYQHKTLDRIIARM-CABCVRRESA-N 2 2 322.415 3.152 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOCC(F)(F)F)C1 ZINC000371679358 293223381 /nfs/dbraw/zinc/22/33/81/293223381.db2.gz MYQHKTLDRIIARM-CABCVRRESA-N 2 2 322.415 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000371679358 293223383 /nfs/dbraw/zinc/22/33/83/293223383.db2.gz MYQHKTLDRIIARM-CABCVRRESA-N 2 2 322.415 3.152 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000371679358 293223387 /nfs/dbraw/zinc/22/33/87/293223387.db2.gz MYQHKTLDRIIARM-CABCVRRESA-N 2 2 322.415 3.152 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371668 293240360 /nfs/dbraw/zinc/24/03/60/293240360.db2.gz YCKUWOHXWKUNPQ-MAUKXSAKSA-N 2 2 312.461 3.124 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371668 293240362 /nfs/dbraw/zinc/24/03/62/293240362.db2.gz YCKUWOHXWKUNPQ-MAUKXSAKSA-N 2 2 312.461 3.124 20 0 DGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373389814 293268604 /nfs/dbraw/zinc/26/86/04/293268604.db2.gz AIRRBHXEHZNQGG-QYZOEREBSA-N 2 2 309.542 3.161 20 0 DGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373389814 293268607 /nfs/dbraw/zinc/26/86/07/293268607.db2.gz AIRRBHXEHZNQGG-QYZOEREBSA-N 2 2 309.542 3.161 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1Cl ZINC000374423848 293398374 /nfs/dbraw/zinc/39/83/74/293398374.db2.gz XXTVOCYXVVHFTD-OIISXLGYSA-N 2 2 308.853 3.024 20 0 DGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1Cl ZINC000374423848 293398377 /nfs/dbraw/zinc/39/83/77/293398377.db2.gz XXTVOCYXVVHFTD-OIISXLGYSA-N 2 2 308.853 3.024 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC000339661550 433713749 /nfs/dbraw/zinc/71/37/49/433713749.db2.gz OQMKODFCZZEQDD-SJORKVTESA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC000339661550 433713755 /nfs/dbraw/zinc/71/37/55/433713755.db2.gz OQMKODFCZZEQDD-SJORKVTESA-N 2 2 313.445 3.236 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000421803090 433736888 /nfs/dbraw/zinc/73/68/88/433736888.db2.gz PPOBCYSCWUTAKP-KRWDZBQOSA-N 2 2 303.381 3.162 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414595492 433740593 /nfs/dbraw/zinc/74/05/93/433740593.db2.gz SZKATJFQLHIWIP-GOSISDBHSA-N 2 2 313.420 3.330 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000356866056 433742130 /nfs/dbraw/zinc/74/21/30/433742130.db2.gz LNYVEVAPTHBNJR-RDJZCZTQSA-N 2 2 320.452 3.195 20 0 DGADLP COC1([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCCC1 ZINC000421821191 433745391 /nfs/dbraw/zinc/74/53/91/433745391.db2.gz QBACYXIEUURWKO-INIZCTEOSA-N 2 2 313.445 3.369 20 0 DGADLP COC1([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000421822143 433745700 /nfs/dbraw/zinc/74/57/00/433745700.db2.gz VYQLJBHWCNVAQP-INIZCTEOSA-N 2 2 313.445 3.369 20 0 DGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427857411 433747635 /nfs/dbraw/zinc/74/76/35/433747635.db2.gz QBTDQTFTJBJSDN-IRXDYDNUSA-N 2 2 301.409 3.194 20 0 DGADLP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)[NH+]1CCC(C)CC1 ZINC000421822331 433749208 /nfs/dbraw/zinc/74/92/08/433749208.db2.gz AFNWNLGLJGXPES-FUHWJXTLSA-N 2 2 301.478 3.039 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccncc1Cl)CCC2 ZINC000421830480 433753238 /nfs/dbraw/zinc/75/32/38/433753238.db2.gz KAGSJTZPRAKXGI-QWHCGFSZSA-N 2 2 304.825 3.468 20 0 DGADLP C[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCS1 ZINC000356890586 433753545 /nfs/dbraw/zinc/75/35/45/433753545.db2.gz GLYXHWXGMVCIHG-CYBMUJFWSA-N 2 2 310.429 3.279 20 0 DGADLP CCc1nc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc(C)[nH+]1 ZINC000342730199 433755086 /nfs/dbraw/zinc/75/50/86/433755086.db2.gz QRJULJQEMMGISW-UHFFFAOYSA-N 2 2 307.401 3.855 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000356901495 433757826 /nfs/dbraw/zinc/75/78/26/433757826.db2.gz PSNAVNVILUUESO-FFZOFVMBSA-N 2 2 316.489 3.228 20 0 DGADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000356901495 433757836 /nfs/dbraw/zinc/75/78/36/433757836.db2.gz PSNAVNVILUUESO-FFZOFVMBSA-N 2 2 316.489 3.228 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862714 433758981 /nfs/dbraw/zinc/75/89/81/433758981.db2.gz PXLHNUSHPSFKJU-RYUDHWBXSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000351862714 433758989 /nfs/dbraw/zinc/75/89/89/433758989.db2.gz PXLHNUSHPSFKJU-RYUDHWBXSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721431 433761202 /nfs/dbraw/zinc/76/12/02/433761202.db2.gz JWMGWGWEILAAQI-NVXWUHKLSA-N 2 2 304.478 3.209 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000449721431 433761211 /nfs/dbraw/zinc/76/12/11/433761211.db2.gz JWMGWGWEILAAQI-NVXWUHKLSA-N 2 2 304.478 3.209 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449755633 433769064 /nfs/dbraw/zinc/76/90/64/433769064.db2.gz NRASPGIDPGRPDW-GDAAHCPNSA-N 2 2 302.462 3.369 20 0 DGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449755633 433769073 /nfs/dbraw/zinc/76/90/73/433769073.db2.gz NRASPGIDPGRPDW-GDAAHCPNSA-N 2 2 302.462 3.369 20 0 DGADLP Fc1cc(CNc2[nH]c3ccccc3[nH+]2)ccc1-n1cc[nH+]c1 ZINC000301884811 433774711 /nfs/dbraw/zinc/77/47/11/433774711.db2.gz OGYOVWORPFKMCC-UHFFFAOYSA-N 2 2 307.332 3.500 20 0 DGADLP Cc1nocc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000293559560 433784479 /nfs/dbraw/zinc/78/44/79/433784479.db2.gz MAONNOGOIAORID-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP Cc1nocc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000293559560 433784491 /nfs/dbraw/zinc/78/44/91/433784491.db2.gz MAONNOGOIAORID-QWHZDKJVSA-N 2 2 313.445 3.229 20 0 DGADLP COc1cc(C)[nH+]c(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000339819101 433803801 /nfs/dbraw/zinc/80/38/01/433803801.db2.gz DWHYDOCARVFQRM-BQFCYCMXSA-N 2 2 317.477 3.236 20 0 DGADLP CC[NH+](CC)CC1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000351955356 433816464 /nfs/dbraw/zinc/81/64/64/433816464.db2.gz INWIJDUDBHLYTH-UHFFFAOYSA-N 2 2 318.465 3.284 20 0 DGADLP C[N@H+](CC[NH2+]C(C)(C)C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414753479 433817146 /nfs/dbraw/zinc/81/71/46/433817146.db2.gz DSXVXGZWLVJNAZ-DLBZAZTESA-N 2 2 308.441 3.366 20 0 DGADLP C[N@@H+](CC[NH2+]C(C)(C)C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414753479 433817155 /nfs/dbraw/zinc/81/71/55/433817155.db2.gz DSXVXGZWLVJNAZ-DLBZAZTESA-N 2 2 308.441 3.366 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000414763529 433821402 /nfs/dbraw/zinc/82/14/02/433821402.db2.gz CRKCMLGINHFBDX-ZYHUDNBSSA-N 2 2 315.280 3.003 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000414763529 433821409 /nfs/dbraw/zinc/82/14/09/433821409.db2.gz CRKCMLGINHFBDX-ZYHUDNBSSA-N 2 2 315.280 3.003 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)[C@H](C[NH3+])C1 ZINC000414765852 433821835 /nfs/dbraw/zinc/82/18/35/433821835.db2.gz GMLXJDVZOZEJGX-YPMHNXCESA-N 2 2 307.488 3.431 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)[C@H](C[NH3+])C1 ZINC000414765852 433821843 /nfs/dbraw/zinc/82/18/43/433821843.db2.gz GMLXJDVZOZEJGX-YPMHNXCESA-N 2 2 307.488 3.431 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000284263533 433873821 /nfs/dbraw/zinc/87/38/21/433873821.db2.gz JBEYVPBARUGNBA-GVXVVHGQSA-N 2 2 309.841 3.019 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000284263533 433873827 /nfs/dbraw/zinc/87/38/27/433873827.db2.gz JBEYVPBARUGNBA-GVXVVHGQSA-N 2 2 309.841 3.019 20 0 DGADLP CCCOc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OC ZINC000414771863 433826062 /nfs/dbraw/zinc/82/60/62/433826062.db2.gz SCZQBMKWISEVKP-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OC ZINC000414771863 433826071 /nfs/dbraw/zinc/82/60/71/433826071.db2.gz SCZQBMKWISEVKP-GOEBONIOSA-N 2 2 306.450 3.043 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414776134 433831785 /nfs/dbraw/zinc/83/17/85/433831785.db2.gz MQLFTDBBMLOVNY-UHFFFAOYSA-N 2 2 318.852 3.064 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000414776134 433831789 /nfs/dbraw/zinc/83/17/89/433831789.db2.gz MQLFTDBBMLOVNY-UHFFFAOYSA-N 2 2 318.852 3.064 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000351979565 433831878 /nfs/dbraw/zinc/83/18/78/433831878.db2.gz RZIHKVZMUSTGRD-APEZIOSESA-N 2 2 302.462 3.310 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000351979565 433831885 /nfs/dbraw/zinc/83/18/85/433831885.db2.gz RZIHKVZMUSTGRD-APEZIOSESA-N 2 2 302.462 3.310 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826616 433834392 /nfs/dbraw/zinc/83/43/92/433834392.db2.gz DSNATJHMVLLCPS-GARJFASQSA-N 2 2 319.396 3.439 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000343826616 433834404 /nfs/dbraw/zinc/83/44/04/433834404.db2.gz DSNATJHMVLLCPS-GARJFASQSA-N 2 2 319.396 3.439 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414788654 433836698 /nfs/dbraw/zinc/83/66/98/433836698.db2.gz DRVVDYGMOGFUQF-QGZVFWFLSA-N 2 2 314.477 3.243 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2[nH+]1 ZINC000362736673 433840340 /nfs/dbraw/zinc/84/03/40/433840340.db2.gz NBUHGYCVGXDYJH-OCCSQVGLSA-N 2 2 314.433 3.042 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2[nH+]1 ZINC000362736673 433840349 /nfs/dbraw/zinc/84/03/49/433840349.db2.gz NBUHGYCVGXDYJH-OCCSQVGLSA-N 2 2 314.433 3.042 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cn1 ZINC000414796915 433842623 /nfs/dbraw/zinc/84/26/23/433842623.db2.gz YBTFZOPPQGNPHM-UHFFFAOYSA-N 2 2 310.445 3.163 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cn1 ZINC000414796915 433842632 /nfs/dbraw/zinc/84/26/32/433842632.db2.gz YBTFZOPPQGNPHM-UHFFFAOYSA-N 2 2 310.445 3.163 20 0 DGADLP CSc1cc(Br)ccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414801758 433843391 /nfs/dbraw/zinc/84/33/91/433843391.db2.gz USBWMBVRSCDADY-GFCCVEGCSA-N 2 2 317.296 3.244 20 0 DGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)cc1Br ZINC000414808500 433847362 /nfs/dbraw/zinc/84/73/62/433847362.db2.gz KTRIVKYAICLMCH-UHFFFAOYSA-N 2 2 303.219 3.195 20 0 DGADLP CCn1nc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011077 433856689 /nfs/dbraw/zinc/85/66/89/433856689.db2.gz OERYSNDBMUNDBI-CVEARBPZSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011077 433856699 /nfs/dbraw/zinc/85/66/99/433856699.db2.gz OERYSNDBMUNDBI-CVEARBPZSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011077 433856703 /nfs/dbraw/zinc/85/67/03/433856703.db2.gz OERYSNDBMUNDBI-CVEARBPZSA-N 2 2 314.477 3.361 20 0 DGADLP CCn1nc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c2ccccc21 ZINC000352011077 433856713 /nfs/dbraw/zinc/85/67/13/433856713.db2.gz OERYSNDBMUNDBI-CVEARBPZSA-N 2 2 314.477 3.361 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434088786 433857593 /nfs/dbraw/zinc/85/75/93/433857593.db2.gz HXDKTGIRLVGWMB-MRXNPFEDSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434088786 433857605 /nfs/dbraw/zinc/85/76/05/433857605.db2.gz HXDKTGIRLVGWMB-MRXNPFEDSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434088786 433857617 /nfs/dbraw/zinc/85/76/17/433857617.db2.gz HXDKTGIRLVGWMB-MRXNPFEDSA-N 2 2 317.481 3.001 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434088786 433857628 /nfs/dbraw/zinc/85/76/28/433857628.db2.gz HXDKTGIRLVGWMB-MRXNPFEDSA-N 2 2 317.481 3.001 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000414816379 433858433 /nfs/dbraw/zinc/85/84/33/433858433.db2.gz PRIRDYLKCZVOAQ-GFCCVEGCSA-N 2 2 303.219 3.195 20 0 DGADLP C[N@H+](CCCNc1cc(N2CCCC2)nc[nH+]1)C1CCCCC1 ZINC000302780251 433860295 /nfs/dbraw/zinc/86/02/95/433860295.db2.gz IJWZCZJPMOUAKE-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP C[N@@H+](CCCNc1cc(N2CCCC2)nc[nH+]1)C1CCCCC1 ZINC000302780251 433860301 /nfs/dbraw/zinc/86/03/01/433860301.db2.gz IJWZCZJPMOUAKE-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP C[N@H+](CCCNc1cc(N2CCCC2)[nH+]cn1)C1CCCCC1 ZINC000302780251 433860309 /nfs/dbraw/zinc/86/03/09/433860309.db2.gz IJWZCZJPMOUAKE-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP C[N@@H+](CCCNc1cc(N2CCCC2)[nH+]cn1)C1CCCCC1 ZINC000302780251 433860318 /nfs/dbraw/zinc/86/03/18/433860318.db2.gz IJWZCZJPMOUAKE-UHFFFAOYSA-N 2 2 317.481 3.143 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1c(F)ccc(O)c1F ZINC000352024046 433866180 /nfs/dbraw/zinc/86/61/80/433866180.db2.gz CPAXSLBGZDOBGC-UHFFFAOYSA-N 2 2 317.339 3.118 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC(F)F ZINC000414831625 433868572 /nfs/dbraw/zinc/86/85/72/433868572.db2.gz NHMIFSJZWXEQHM-AWEZNQCLSA-N 2 2 322.355 3.086 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414828880 433869298 /nfs/dbraw/zinc/86/92/98/433869298.db2.gz LILWYUUKKDFZTM-UHFFFAOYSA-N 2 2 302.393 3.104 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2c(F)cccc2N2CCCC2)CCCCC1 ZINC000414834492 433869971 /nfs/dbraw/zinc/86/99/71/433869971.db2.gz CGFYCQQUFGKLNP-UHFFFAOYSA-N 2 2 305.441 3.177 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1OC(F)F ZINC000414835838 433870774 /nfs/dbraw/zinc/87/07/74/433870774.db2.gz RXAVMFCTWHRYIM-CQSZACIVSA-N 2 2 322.355 3.086 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414839579 433872548 /nfs/dbraw/zinc/87/25/48/433872548.db2.gz LMYKXWNHOIENHL-QGZVFWFLSA-N 2 2 312.461 3.313 20 0 DGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284363282 433896052 /nfs/dbraw/zinc/89/60/52/433896052.db2.gz NEKTYKZFRKFROC-SNRMKQJTSA-N 2 2 320.477 3.093 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(F)c2)cc1 ZINC000414876383 433896998 /nfs/dbraw/zinc/89/69/98/433896998.db2.gz DHPGQDDEZODVMV-RBUKOAKNSA-N 2 2 314.404 3.070 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414876457 433898355 /nfs/dbraw/zinc/89/83/55/433898355.db2.gz VVIFZPQBLYYNQJ-OAHLLOKOSA-N 2 2 305.466 3.116 20 0 DGADLP CCCCOc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1OC ZINC000414954889 433935186 /nfs/dbraw/zinc/93/51/86/433935186.db2.gz NRRKKSFMLHNKKA-GDBMZVCRSA-N 2 2 306.450 3.104 20 0 DGADLP C[C@@]1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCC[NH2+]C1 ZINC000414896697 433904786 /nfs/dbraw/zinc/90/47/86/433904786.db2.gz CNLYTAOCUWWXEP-OAHLLOKOSA-N 2 2 307.488 3.351 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2F)cc1 ZINC000414894591 433905798 /nfs/dbraw/zinc/90/57/98/433905798.db2.gz ZPJZZESKRONHIX-HKUYNNGSSA-N 2 2 314.404 3.070 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CO)c1ccccc1 ZINC000436262597 433921379 /nfs/dbraw/zinc/92/13/79/433921379.db2.gz QQMQPOXCUICQST-LJQANCHMSA-N 2 2 307.397 3.038 20 0 DGADLP COC[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)cs2)CCC[NH2+]1 ZINC000414941595 433925757 /nfs/dbraw/zinc/92/57/57/433925757.db2.gz JABKGOZSEKDETL-SFHVURJKSA-N 2 2 316.470 3.273 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000436275897 433926987 /nfs/dbraw/zinc/92/69/87/433926987.db2.gz PUXQZKOMLGFAGG-HNNXBMFYSA-N 2 2 317.458 3.078 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+]C3(C)CC[NH2+]CC3)cs2)cc1 ZINC000414936067 433927160 /nfs/dbraw/zinc/92/71/60/433927160.db2.gz GNXVXJIGCQKCKN-UHFFFAOYSA-N 2 2 301.459 3.350 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000414942419 433928671 /nfs/dbraw/zinc/92/86/71/433928671.db2.gz DJLIKCRIRIYBOB-MWLCHTKSSA-N 2 2 303.233 3.232 20 0 DGADLP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414944591 433930003 /nfs/dbraw/zinc/93/00/03/433930003.db2.gz HCDADGSUQYMBKV-PSASIEDQSA-N 2 2 303.269 3.049 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccoc3)n2)C[C@@H]1C[NH3+] ZINC000422626228 433930690 /nfs/dbraw/zinc/93/06/90/433930690.db2.gz DLFZMRGCFYVQLJ-BZPMIXESSA-N 2 2 305.447 3.208 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@@H]1C[NH3+] ZINC000422626228 433930699 /nfs/dbraw/zinc/93/06/99/433930699.db2.gz DLFZMRGCFYVQLJ-BZPMIXESSA-N 2 2 305.447 3.208 20 0 DGADLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CCC[NH2+]1 ZINC000414943800 433931847 /nfs/dbraw/zinc/93/18/47/433931847.db2.gz MRUHWXARMWCCJP-HXUWFJFHSA-N 2 2 310.441 3.212 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000422641609 433933032 /nfs/dbraw/zinc/93/30/32/433933032.db2.gz YAZBTQGGSASZEE-MXWKQRLJSA-N 2 2 302.249 3.194 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000422641609 433933044 /nfs/dbraw/zinc/93/30/44/433933044.db2.gz YAZBTQGGSASZEE-MXWKQRLJSA-N 2 2 302.249 3.194 20 0 DGADLP C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303363079 433933498 /nfs/dbraw/zinc/93/34/98/433933498.db2.gz DRHABAUKJKDMDW-BEFAXECRSA-N 2 2 307.397 3.257 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000414952979 433934056 /nfs/dbraw/zinc/93/40/56/433934056.db2.gz IYRHGFATBAZLNA-GHTZIAJQSA-N 2 2 322.452 3.029 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000422634845 433934674 /nfs/dbraw/zinc/93/46/74/433934674.db2.gz KHWNXXPZFOQKBL-FQUUOJAGSA-N 2 2 311.495 3.046 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000422634845 433934685 /nfs/dbraw/zinc/93/46/85/433934685.db2.gz KHWNXXPZFOQKBL-FQUUOJAGSA-N 2 2 311.495 3.046 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000414853784 433884210 /nfs/dbraw/zinc/88/42/10/433884210.db2.gz TWKSOMBYENXTEX-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP C[N@H+]1C[C@H]2CN(c3cc(C(C)(C)C)[nH+]c(C(C)(C)C)n3)C[C@H]2C1 ZINC000302862756 433884496 /nfs/dbraw/zinc/88/44/96/433884496.db2.gz RKKRMLFDDCOHAR-OKILXGFUSA-N 2 2 316.493 3.069 20 0 DGADLP C[N@@H+]1C[C@H]2CN(c3cc(C(C)(C)C)[nH+]c(C(C)(C)C)n3)C[C@H]2C1 ZINC000302862756 433884505 /nfs/dbraw/zinc/88/45/05/433884505.db2.gz RKKRMLFDDCOHAR-OKILXGFUSA-N 2 2 316.493 3.069 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853497 433884784 /nfs/dbraw/zinc/88/47/84/433884784.db2.gz SQOARQBCDXOVHW-HNNXBMFYSA-N 2 2 320.868 3.224 20 0 DGADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414866535 433890352 /nfs/dbraw/zinc/89/03/52/433890352.db2.gz FJYXGWKSSLXGMJ-OAHLLOKOSA-N 2 2 324.453 3.052 20 0 DGADLP C[C@H]([NH2+]Cc1cc(F)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414861254 433890635 /nfs/dbraw/zinc/89/06/35/433890635.db2.gz WIBKDSZSAYZJPC-WDEREUQCSA-N 2 2 315.230 3.066 20 0 DGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000422704381 433941626 /nfs/dbraw/zinc/94/16/26/433941626.db2.gz PODLXYUBXUTUMA-DNVCBOLYSA-N 3 2 322.456 3.044 20 0 DGADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC1CCCC1 ZINC000422710410 433943463 /nfs/dbraw/zinc/94/34/63/433943463.db2.gz LEWSUNCEPZLKIL-YOEHRIQHSA-N 2 2 318.461 3.104 20 0 DGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414964170 433944005 /nfs/dbraw/zinc/94/40/05/433944005.db2.gz YHGXKOIBGOLULS-CABZTGNLSA-N 2 2 304.768 3.172 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2c1 ZINC000422718162 433944242 /nfs/dbraw/zinc/94/42/42/433944242.db2.gz PFSYYPBBNATNSP-HKUYNNGSSA-N 2 2 320.440 3.226 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(COc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000422726743 433951442 /nfs/dbraw/zinc/95/14/42/433951442.db2.gz AHOICOCBWXHAAG-OXQOHEQNSA-N 2 2 310.441 3.496 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1ccc(C(=O)OC)cc1 ZINC000340172241 433952084 /nfs/dbraw/zinc/95/20/84/433952084.db2.gz GNAMHKRUAASEIC-ZWKOTPCHSA-N 2 2 318.461 3.388 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422730635 433953991 /nfs/dbraw/zinc/95/39/91/433953991.db2.gz MKJWUCGJHKLRRM-BQFCYCMXSA-N 3 2 303.494 3.094 20 0 DGADLP CCN(CC)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccc1 ZINC000422728385 433955566 /nfs/dbraw/zinc/95/55/66/433955566.db2.gz GBTGNTGDRATZDO-HNAYVOBHSA-N 2 2 312.461 3.228 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3C[C@]4(CCCO4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000294018747 433966211 /nfs/dbraw/zinc/96/62/11/433966211.db2.gz NLAGJPFFVCVUJF-RTBURBONSA-N 2 2 309.413 3.016 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3C[C@]4(CCCO4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000294018747 433966217 /nfs/dbraw/zinc/96/62/17/433966217.db2.gz NLAGJPFFVCVUJF-RTBURBONSA-N 2 2 309.413 3.016 20 0 DGADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000422745410 433969966 /nfs/dbraw/zinc/96/99/66/433969966.db2.gz VAVIAUDWQZFMJN-XLIONFOSSA-N 3 2 315.505 3.006 20 0 DGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000285501003 433970474 /nfs/dbraw/zinc/97/04/74/433970474.db2.gz CQMLNMSJWVKRJD-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422751030 433970908 /nfs/dbraw/zinc/97/09/08/433970908.db2.gz BVHUUMVRVIHIBD-ZIFCJYIRSA-N 3 2 317.521 3.045 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422751030 433970922 /nfs/dbraw/zinc/97/09/22/433970922.db2.gz BVHUUMVRVIHIBD-ZIFCJYIRSA-N 3 2 317.521 3.045 20 0 DGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000422749896 433971062 /nfs/dbraw/zinc/97/10/62/433971062.db2.gz BKBLJMRFTXAHHW-ROUUACIJSA-N 3 2 307.526 3.153 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000415078692 433972540 /nfs/dbraw/zinc/97/25/40/433972540.db2.gz GTLXLBVIRSHSEA-KRWDZBQOSA-N 3 2 321.534 3.110 20 0 DGADLP CN(CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757565 433975772 /nfs/dbraw/zinc/97/57/72/433975772.db2.gz JRFZESSHLPEKPW-NHCUHLMSSA-N 2 2 323.484 3.201 20 0 DGADLP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415127963 433980735 /nfs/dbraw/zinc/98/07/35/433980735.db2.gz JBCCXYSXRVQIFV-IEBWSBKVSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422766660 433982361 /nfs/dbraw/zinc/98/23/61/433982361.db2.gz MDEMWFMGMIGHNH-BEFAXECRSA-N 2 2 312.461 3.109 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422765647 433985209 /nfs/dbraw/zinc/98/52/09/433985209.db2.gz QNKBWVFIVFGQHU-RHQZKXFESA-N 3 2 321.553 3.253 20 0 DGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422765647 433985221 /nfs/dbraw/zinc/98/52/21/433985221.db2.gz QNKBWVFIVFGQHU-RHQZKXFESA-N 3 2 321.553 3.253 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@]1(C)CCCO1 ZINC000340210560 433986899 /nfs/dbraw/zinc/98/68/99/433986899.db2.gz WLWIFGLSLPTIEQ-CXAGYDPISA-N 2 2 303.381 3.059 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@]1(C)CCCO1 ZINC000340210562 433986963 /nfs/dbraw/zinc/98/69/63/433986963.db2.gz WLWIFGLSLPTIEQ-GUYCJALGSA-N 2 2 303.381 3.059 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000422705621 433939907 /nfs/dbraw/zinc/93/99/07/433939907.db2.gz CLFJHWMCAMYZBR-MOPGFXCFSA-N 3 2 301.478 3.032 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1OC(F)F ZINC000422798849 434009910 /nfs/dbraw/zinc/00/99/10/434009910.db2.gz TVHTWAOAOQCGBG-XJKSGUPXSA-N 2 2 320.383 3.336 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246957 434012625 /nfs/dbraw/zinc/01/26/25/434012625.db2.gz ZGCWLPHYEDSKME-ZCNNSNEGSA-N 2 2 310.441 3.145 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340246957 434012633 /nfs/dbraw/zinc/01/26/33/434012633.db2.gz ZGCWLPHYEDSKME-ZCNNSNEGSA-N 2 2 310.441 3.145 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CCC[N@@H+]1Cc1ccccc1 ZINC000340252036 434015653 /nfs/dbraw/zinc/01/56/53/434015653.db2.gz RWGIHQQUUWAFQG-GSEOLPGOSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CCC[N@H+]1Cc1ccccc1 ZINC000340252036 434015660 /nfs/dbraw/zinc/01/56/60/434015660.db2.gz RWGIHQQUUWAFQG-GSEOLPGOSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422803593 434016547 /nfs/dbraw/zinc/01/65/47/434016547.db2.gz JGXPAMQZJOUKHA-DOMZBBRYSA-N 2 2 316.367 3.248 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260097 434020317 /nfs/dbraw/zinc/02/03/17/434020317.db2.gz PJYGPTRUZKOYRJ-OWQGQXMQSA-N 2 2 316.445 3.139 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260097 434020329 /nfs/dbraw/zinc/02/03/29/434020329.db2.gz PJYGPTRUZKOYRJ-OWQGQXMQSA-N 2 2 316.445 3.139 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260107 434022221 /nfs/dbraw/zinc/02/22/21/434022221.db2.gz PJYGPTRUZKOYRJ-SKDZVZGDSA-N 2 2 316.445 3.139 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000340260107 434022232 /nfs/dbraw/zinc/02/22/32/434022232.db2.gz PJYGPTRUZKOYRJ-SKDZVZGDSA-N 2 2 316.445 3.139 20 0 DGADLP CCOC1CC(C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000285639916 434023048 /nfs/dbraw/zinc/02/30/48/434023048.db2.gz NVGCACFLLJKVHY-UHFFFAOYSA-N 2 2 304.478 3.302 20 0 DGADLP CCOC1CC(C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000285639916 434023061 /nfs/dbraw/zinc/02/30/61/434023061.db2.gz NVGCACFLLJKVHY-UHFFFAOYSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840447 434046767 /nfs/dbraw/zinc/04/67/67/434046767.db2.gz SYGXCIPQWXEEDU-NUJGCVRESA-N 3 2 321.534 3.080 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422840447 434046780 /nfs/dbraw/zinc/04/67/80/434046780.db2.gz SYGXCIPQWXEEDU-NUJGCVRESA-N 3 2 321.534 3.080 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000377889686 434029929 /nfs/dbraw/zinc/02/99/29/434029929.db2.gz PRZPVDJZMCPAIA-BAABZTOOSA-N 2 2 303.356 3.201 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000377889686 434029940 /nfs/dbraw/zinc/02/99/40/434029940.db2.gz PRZPVDJZMCPAIA-BAABZTOOSA-N 2 2 303.356 3.201 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422825585 434030731 /nfs/dbraw/zinc/03/07/31/434030731.db2.gz JSRMUPIRLASRIW-XZJROXQQSA-N 2 2 310.388 3.396 20 0 DGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422829649 434034940 /nfs/dbraw/zinc/03/49/40/434034940.db2.gz QDWOHEFSFCRVOV-HOCLYGCPSA-N 2 2 306.450 3.104 20 0 DGADLP CC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831079 434035514 /nfs/dbraw/zinc/03/55/14/434035514.db2.gz WFJKYRLWTYDWKF-UHOSZYNNSA-N 3 2 303.494 3.017 20 0 DGADLP CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422831079 434035519 /nfs/dbraw/zinc/03/55/19/434035519.db2.gz WFJKYRLWTYDWKF-UHOSZYNNSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000422828964 434035775 /nfs/dbraw/zinc/03/57/75/434035775.db2.gz PAJBZMNIJOOMHE-KBMXLJTQSA-N 2 2 301.459 3.210 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(Cl)nc1 ZINC000285715013 434043788 /nfs/dbraw/zinc/04/37/88/434043788.db2.gz PTFZMQDKRQJLMB-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(Cl)nc1 ZINC000285715013 434043796 /nfs/dbraw/zinc/04/37/96/434043796.db2.gz PTFZMQDKRQJLMB-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccc(Cl)nc1)Cc1ccco1 ZINC000285715013 434043809 /nfs/dbraw/zinc/04/38/09/434043809.db2.gz PTFZMQDKRQJLMB-UHFFFAOYSA-N 2 2 307.825 3.282 20 0 DGADLP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305119145 434045827 /nfs/dbraw/zinc/04/58/27/434045827.db2.gz JBSKUJUIHMREPN-SFHVURJKSA-N 2 2 324.896 3.301 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422841975 434046060 /nfs/dbraw/zinc/04/60/60/434046060.db2.gz DWBSIAGTHLKORD-IYWMVGAKSA-N 3 2 321.553 3.253 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000422779657 433995627 /nfs/dbraw/zinc/99/56/27/433995627.db2.gz IPDHQDIVMYNCEI-CCKFTAQKSA-N 2 2 320.452 3.414 20 0 DGADLP Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)c1 ZINC000377788679 433996445 /nfs/dbraw/zinc/99/64/45/433996445.db2.gz XVODECUPURDPMN-LJQANCHMSA-N 2 2 321.428 3.133 20 0 DGADLP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)c1 ZINC000377788679 433996451 /nfs/dbraw/zinc/99/64/51/433996451.db2.gz XVODECUPURDPMN-LJQANCHMSA-N 2 2 321.428 3.133 20 0 DGADLP CCC[N@H+](C)[C@@H](CNCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000285566430 433997270 /nfs/dbraw/zinc/99/72/70/433997270.db2.gz NJWAJUIVYAWGGJ-HNNXBMFYSA-N 2 2 306.841 3.236 20 0 DGADLP CCC[N@@H+](C)[C@@H](CNCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000285566430 433997277 /nfs/dbraw/zinc/99/72/77/433997277.db2.gz NJWAJUIVYAWGGJ-HNNXBMFYSA-N 2 2 306.841 3.236 20 0 DGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422787964 433998423 /nfs/dbraw/zinc/99/84/23/433998423.db2.gz MPRGODDMWZXTNU-HNNXBMFYSA-N 3 2 312.461 3.187 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2)C1 ZINC000422867208 434067372 /nfs/dbraw/zinc/06/73/72/434067372.db2.gz RVIIIIWRRSWPPY-MBOZVWFJSA-N 3 2 315.505 3.006 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2)C1 ZINC000422867208 434067377 /nfs/dbraw/zinc/06/73/77/434067377.db2.gz RVIIIIWRRSWPPY-MBOZVWFJSA-N 3 2 315.505 3.006 20 0 DGADLP Clc1cnccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309922705 434100397 /nfs/dbraw/zinc/10/03/97/434100397.db2.gz WKOPQGMRGDMASF-MRXNPFEDSA-N 2 2 315.848 3.347 20 0 DGADLP Clc1cnccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309922705 434100411 /nfs/dbraw/zinc/10/04/11/434100411.db2.gz WKOPQGMRGDMASF-MRXNPFEDSA-N 2 2 315.848 3.347 20 0 DGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422892072 434086344 /nfs/dbraw/zinc/08/63/44/434086344.db2.gz LYUPUKXPMKOJDE-YJBOKZPZSA-N 2 2 321.424 3.390 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccncc1 ZINC000346058185 434087843 /nfs/dbraw/zinc/08/78/43/434087843.db2.gz BMEZLNUTVNKUFZ-IBGZPJMESA-N 2 2 310.445 3.182 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)C[C@H]1c1ccccc1 ZINC000340362154 434088343 /nfs/dbraw/zinc/08/83/43/434088343.db2.gz NOGAOYZKKOEWNC-KSZLIROESA-N 2 2 314.429 3.128 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422895539 434092132 /nfs/dbraw/zinc/09/21/32/434092132.db2.gz FZVNTLBYUJAAGN-XLIONFOSSA-N 3 2 315.505 3.067 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422896463 434092483 /nfs/dbraw/zinc/09/24/83/434092483.db2.gz IHZOWEHNYHUFQR-MRXNPFEDSA-N 3 2 324.472 3.118 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccnn2-c2ccccc2C)CC1 ZINC000353380500 434094404 /nfs/dbraw/zinc/09/44/04/434094404.db2.gz LRXVTEZTHOWSFW-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccnn2-c2ccccc2C)CC1 ZINC000353380500 434094411 /nfs/dbraw/zinc/09/44/11/434094411.db2.gz LRXVTEZTHOWSFW-UHFFFAOYSA-N 2 2 312.461 3.097 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746545 434095296 /nfs/dbraw/zinc/09/52/96/434095296.db2.gz UNNMZMZIAPFTDB-ZBFHGGJFSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cscn1 ZINC000309746545 434095301 /nfs/dbraw/zinc/09/53/01/434095301.db2.gz UNNMZMZIAPFTDB-ZBFHGGJFSA-N 2 2 301.459 3.316 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161557 434097596 /nfs/dbraw/zinc/09/75/96/434097596.db2.gz RDDSDNPPAPRTQL-VAMGGRTRSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161557 434097604 /nfs/dbraw/zinc/09/76/04/434097604.db2.gz RDDSDNPPAPRTQL-VAMGGRTRSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161557 434097610 /nfs/dbraw/zinc/09/76/10/434097610.db2.gz RDDSDNPPAPRTQL-VAMGGRTRSA-N 3 2 321.553 3.447 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000378161557 434097621 /nfs/dbraw/zinc/09/76/21/434097621.db2.gz RDDSDNPPAPRTQL-VAMGGRTRSA-N 3 2 321.553 3.447 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C[C@@H]3COc4ccccc43)C2)cc1 ZINC000305144755 434048802 /nfs/dbraw/zinc/04/88/02/434048802.db2.gz WWDNUOWFKFBADQ-MOPGFXCFSA-N 2 2 322.452 3.417 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@@H]3COc4ccccc43)C2)cc1 ZINC000305144755 434048811 /nfs/dbraw/zinc/04/88/11/434048811.db2.gz WWDNUOWFKFBADQ-MOPGFXCFSA-N 2 2 322.452 3.417 20 0 DGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858101 434055520 /nfs/dbraw/zinc/05/55/20/434055520.db2.gz IJPIRQJFLREKFZ-LPHOPBHVSA-N 3 2 303.494 3.147 20 0 DGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858101 434055532 /nfs/dbraw/zinc/05/55/32/434055532.db2.gz IJPIRQJFLREKFZ-LPHOPBHVSA-N 3 2 303.494 3.147 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852771 434057099 /nfs/dbraw/zinc/05/70/99/434057099.db2.gz BHHAEZAHFQKGBN-HLIPFELVSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852771 434057109 /nfs/dbraw/zinc/05/71/09/434057109.db2.gz BHHAEZAHFQKGBN-HLIPFELVSA-N 3 2 315.505 3.291 20 0 DGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184155 434102462 /nfs/dbraw/zinc/10/24/62/434102462.db2.gz OGAIOFSZRIISFG-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184155 434102472 /nfs/dbraw/zinc/10/24/72/434102472.db2.gz OGAIOFSZRIISFG-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184155 434102478 /nfs/dbraw/zinc/10/24/78/434102478.db2.gz OGAIOFSZRIISFG-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184155 434102484 /nfs/dbraw/zinc/10/24/84/434102484.db2.gz OGAIOFSZRIISFG-AEFFLSMTSA-N 2 2 311.429 3.258 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422937956 434122790 /nfs/dbraw/zinc/12/27/90/434122790.db2.gz KEDBONMYLDTDIB-UZLBHIALSA-N 2 2 310.441 3.496 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)c(C)c1OC ZINC000285953830 434115447 /nfs/dbraw/zinc/11/54/47/434115447.db2.gz GHGPTYGONLNPNW-UONOGXRCSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)c(C)c1OC ZINC000285953830 434115460 /nfs/dbraw/zinc/11/54/60/434115460.db2.gz GHGPTYGONLNPNW-UONOGXRCSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000422910598 434101289 /nfs/dbraw/zinc/10/12/89/434101289.db2.gz IRILWHLLLUVTMH-PWSUYJOCSA-N 2 2 305.422 3.270 20 0 DGADLP C[C@@H]([NH2+]C1(c2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422939526 434125352 /nfs/dbraw/zinc/12/53/52/434125352.db2.gz GANFJARJFIMYPQ-RISCZKNCSA-N 2 2 309.251 3.168 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)cc1F ZINC000500502730 294114506 /nfs/dbraw/zinc/11/45/06/294114506.db2.gz XYSQWDQVSRHFKP-DTZQCDIJSA-N 2 2 318.436 3.295 20 0 DGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)cc1F ZINC000500502730 294114510 /nfs/dbraw/zinc/11/45/10/294114510.db2.gz XYSQWDQVSRHFKP-DTZQCDIJSA-N 2 2 318.436 3.295 20 0 DGADLP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000353433524 434127120 /nfs/dbraw/zinc/12/71/20/434127120.db2.gz GUIWRGIBCXSLKB-INIZCTEOSA-N 2 2 306.413 3.486 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000502484274 294166907 /nfs/dbraw/zinc/16/69/07/294166907.db2.gz XLSCDFDNKWIYOD-IXDOHACOSA-N 2 2 306.498 3.280 20 0 DGADLP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000346118955 434128408 /nfs/dbraw/zinc/12/84/08/434128408.db2.gz ZHQQIDFTTLAGJD-FUHWJXTLSA-N 2 2 319.518 3.310 20 0 DGADLP COc1ccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccc(F)cc2)cc1 ZINC000422949244 434131357 /nfs/dbraw/zinc/13/13/57/434131357.db2.gz UOCDCQZMJDFFTM-YJYMSZOUSA-N 2 2 314.404 3.121 20 0 DGADLP COC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448486 294352756 /nfs/dbraw/zinc/35/27/56/294352756.db2.gz NQASQMKDFAIRMJ-DZFGPLHGSA-N 2 2 324.468 3.279 20 0 DGADLP COC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509448486 294352760 /nfs/dbraw/zinc/35/27/60/294352760.db2.gz NQASQMKDFAIRMJ-DZFGPLHGSA-N 2 2 324.468 3.279 20 0 DGADLP CC1(C)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509644324 294359708 /nfs/dbraw/zinc/35/97/08/294359708.db2.gz RSGCYULKOLVXSQ-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP CC1(C)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509644324 294359710 /nfs/dbraw/zinc/35/97/10/294359710.db2.gz RSGCYULKOLVXSQ-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H](C)CC)c1)[C@@H]1CCC[NH2+]1 ZINC000422950470 434132133 /nfs/dbraw/zinc/13/21/33/434132133.db2.gz WAQUTIQSMZMQIN-QGTPRVQTSA-N 2 2 317.477 3.291 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000510420851 294382679 /nfs/dbraw/zinc/38/26/79/294382679.db2.gz HCDGPIVGXGIPLZ-SJORKVTESA-N 2 2 324.468 3.360 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000510420851 294382682 /nfs/dbraw/zinc/38/26/82/294382682.db2.gz HCDGPIVGXGIPLZ-SJORKVTESA-N 2 2 324.468 3.360 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]2CCC[C@H]21 ZINC000510616912 294388026 /nfs/dbraw/zinc/38/80/26/294388026.db2.gz IAIHXNLMVQNWFM-RTBURBONSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]2CCC[C@H]21 ZINC000510616912 294388029 /nfs/dbraw/zinc/38/80/29/294388029.db2.gz IAIHXNLMVQNWFM-RTBURBONSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000510616912 294388033 /nfs/dbraw/zinc/38/80/33/294388033.db2.gz IAIHXNLMVQNWFM-RTBURBONSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000510616912 294388035 /nfs/dbraw/zinc/38/80/35/294388035.db2.gz IAIHXNLMVQNWFM-RTBURBONSA-N 2 2 316.489 3.398 20 0 DGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](CCC(C)(C)C)CC3)n2c1 ZINC000510668827 294389371 /nfs/dbraw/zinc/38/93/71/294389371.db2.gz ZWJLPKLQOJHLLS-UHFFFAOYSA-N 2 2 314.477 3.197 20 0 DGADLP COC(=O)c1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353445962 434135822 /nfs/dbraw/zinc/13/58/22/434135822.db2.gz DSCUQIKJSWIHAC-UHFFFAOYSA-N 2 2 312.413 3.241 20 0 DGADLP COC(=O)c1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353445962 434135828 /nfs/dbraw/zinc/13/58/28/434135828.db2.gz DSCUQIKJSWIHAC-UHFFFAOYSA-N 2 2 312.413 3.241 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000422955410 434137280 /nfs/dbraw/zinc/13/72/80/434137280.db2.gz JFMFKTWOYWIROY-QMTHXVAHSA-N 2 2 315.230 3.208 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346131617 434138151 /nfs/dbraw/zinc/13/81/51/434138151.db2.gz OWDWJJPIJOPROV-QGZVFWFLSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000346131617 434138158 /nfs/dbraw/zinc/13/81/58/434138158.db2.gz OWDWJJPIJOPROV-QGZVFWFLSA-N 2 2 314.404 3.328 20 0 DGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422960766 434138464 /nfs/dbraw/zinc/13/84/64/434138464.db2.gz XRDLZLKYZSMOPI-APWZRJJASA-N 2 2 324.472 3.442 20 0 DGADLP C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422971412 434142933 /nfs/dbraw/zinc/14/29/33/434142933.db2.gz IQFXSJOHWDCOOZ-WMLDXEAASA-N 2 2 303.450 3.023 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@]1(C)CCCO1 ZINC000340470850 434149779 /nfs/dbraw/zinc/14/97/79/434149779.db2.gz RANZERKOISDMBM-BEFAXECRSA-N 2 2 320.452 3.337 20 0 DGADLP COC(=O)c1csc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000286069325 434153631 /nfs/dbraw/zinc/15/36/31/434153631.db2.gz LURXKPXMZMJUOQ-LBPRGKRZSA-N 2 2 310.463 3.058 20 0 DGADLP c1n[nH]c([C@@H]([NH2+]CCCCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000340474354 434153749 /nfs/dbraw/zinc/15/37/49/434153749.db2.gz HUOGLZRYMQLXTH-KRWDZBQOSA-N 2 2 319.497 3.282 20 0 DGADLP O=C(Nc1ccccc1-n1cc[nH+]c1)C1C[NH+](C2CCCCC2)C1 ZINC000457419412 434159838 /nfs/dbraw/zinc/15/98/38/434159838.db2.gz HYYZLOLBNWJDNA-UHFFFAOYSA-N 2 2 324.428 3.075 20 0 DGADLP Cc1cccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)c1 ZINC000423024856 434170082 /nfs/dbraw/zinc/17/00/82/434170082.db2.gz MXMWENVFZHOFTE-NHJHPMQKSA-N 2 2 307.441 3.352 20 0 DGADLP CCc1cnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173008 434170169 /nfs/dbraw/zinc/17/01/69/434170169.db2.gz PCJOULFAMAWTAA-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173008 434170178 /nfs/dbraw/zinc/17/01/78/434170178.db2.gz PCJOULFAMAWTAA-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000346173008 434170186 /nfs/dbraw/zinc/17/01/86/434170186.db2.gz PCJOULFAMAWTAA-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000346173008 434170194 /nfs/dbraw/zinc/17/01/94/434170194.db2.gz PCJOULFAMAWTAA-CZUORRHYSA-N 2 2 305.491 3.154 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423027039 434170312 /nfs/dbraw/zinc/17/03/12/434170312.db2.gz CSCOUPPGMVSLLX-WLHONDITSA-N 2 2 320.452 3.209 20 0 DGADLP Fc1ccccc1COC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000378443397 434181008 /nfs/dbraw/zinc/18/10/08/434181008.db2.gz HVSVCRSJVKFILP-UHFFFAOYSA-N 2 2 317.408 3.094 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000423044006 434185941 /nfs/dbraw/zinc/18/59/41/434185941.db2.gz QLPQIQWIYLLNKX-PKOBYXMFSA-N 2 2 316.489 3.146 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)CCO1 ZINC000346195454 434187585 /nfs/dbraw/zinc/18/75/85/434187585.db2.gz OKDDOSDPWCLIQN-YJBOKZPZSA-N 2 2 315.461 3.299 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccoc1 ZINC000353518646 434195009 /nfs/dbraw/zinc/19/50/09/434195009.db2.gz LHVMLXSIODZQQB-OALUTQOASA-N 2 2 322.493 3.439 20 0 DGADLP C[C@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCCC[NH2+]1 ZINC000357809294 434195960 /nfs/dbraw/zinc/19/59/60/434195960.db2.gz RGQBOHWCBVCBPX-GOSISDBHSA-N 2 2 312.417 3.301 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286224724 434198544 /nfs/dbraw/zinc/19/85/44/434198544.db2.gz SNXMHZZBYKBXHX-HACGYAERSA-N 2 2 318.461 3.146 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286224724 434198552 /nfs/dbraw/zinc/19/85/52/434198552.db2.gz SNXMHZZBYKBXHX-HACGYAERSA-N 2 2 318.461 3.146 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423072156 434204238 /nfs/dbraw/zinc/20/42/38/434204238.db2.gz PFPOQFJFMAFQAS-PBHICJAKSA-N 2 2 324.424 3.490 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423069519 434204515 /nfs/dbraw/zinc/20/45/15/434204515.db2.gz LURJBEVXHDSNLY-MSOLQXFVSA-N 2 2 320.477 3.019 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353544874 434214443 /nfs/dbraw/zinc/21/44/43/434214443.db2.gz RGSIFXDKRMKJCN-RVKKMQEKSA-N 2 2 323.456 3.007 20 0 DGADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000353544874 434214449 /nfs/dbraw/zinc/21/44/49/434214449.db2.gz RGSIFXDKRMKJCN-RVKKMQEKSA-N 2 2 323.456 3.007 20 0 DGADLP c1n[nH]c2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc12 ZINC000423098192 434218953 /nfs/dbraw/zinc/21/89/53/434218953.db2.gz CMJSNMFFGYJELS-RCCFBDPRSA-N 2 2 312.461 3.006 20 0 DGADLP CC[C@H](C[NH2+]CCCc1c[nH+]ccc1C)NC(=O)OC(C)(C)C ZINC000295057267 434166567 /nfs/dbraw/zinc/16/65/67/434166567.db2.gz NYZNSOOKIDSBNS-MRXNPFEDSA-N 2 2 321.465 3.216 20 0 DGADLP CC[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000423015027 434167331 /nfs/dbraw/zinc/16/73/31/434167331.db2.gz QELGHGUMBFECJQ-IRXDYDNUSA-N 2 2 303.450 3.023 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000423015026 434167662 /nfs/dbraw/zinc/16/76/62/434167662.db2.gz QELGHGUMBFECJQ-IAGOWNOFSA-N 2 2 303.450 3.023 20 0 DGADLP CCc1cnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173011 434168010 /nfs/dbraw/zinc/16/80/10/434168010.db2.gz PCJOULFAMAWTAA-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000346173011 434168021 /nfs/dbraw/zinc/16/80/21/434168021.db2.gz PCJOULFAMAWTAA-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000346173011 434168032 /nfs/dbraw/zinc/16/80/32/434168032.db2.gz PCJOULFAMAWTAA-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP CCc1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000346173011 434168042 /nfs/dbraw/zinc/16/80/42/434168042.db2.gz PCJOULFAMAWTAA-XJKSGUPXSA-N 2 2 305.491 3.154 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000423139152 434243630 /nfs/dbraw/zinc/24/36/30/434243630.db2.gz YZURJIPBLVMCFL-PBHICJAKSA-N 2 2 322.880 3.162 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000423139153 434243735 /nfs/dbraw/zinc/24/37/35/434243735.db2.gz YZURJIPBLVMCFL-RHSMWYFYSA-N 2 2 322.880 3.162 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423138075 434243940 /nfs/dbraw/zinc/24/39/40/434243940.db2.gz RZCMRVXIWOSZHP-MFKMUULPSA-N 2 2 302.340 3.047 20 0 DGADLP C[C@H](NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCC[NH2+]1 ZINC000423143985 434245722 /nfs/dbraw/zinc/24/57/22/434245722.db2.gz FVUZDXOMKBPVRF-BBRMVZONSA-N 2 2 318.852 3.146 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)C1 ZINC000450544889 434254921 /nfs/dbraw/zinc/25/49/21/434254921.db2.gz SFFDSNBJILIILW-LJQANCHMSA-N 2 2 321.428 3.033 20 0 DGADLP C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)C1 ZINC000450544889 434254926 /nfs/dbraw/zinc/25/49/26/434254926.db2.gz SFFDSNBJILIILW-LJQANCHMSA-N 2 2 321.428 3.033 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000379647913 434261840 /nfs/dbraw/zinc/26/18/40/434261840.db2.gz LIURXWHGKKCEBX-LNLFQRSKSA-N 3 2 303.494 3.017 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379647913 434261844 /nfs/dbraw/zinc/26/18/44/434261844.db2.gz LIURXWHGKKCEBX-LNLFQRSKSA-N 3 2 303.494 3.017 20 0 DGADLP c1c2ccccc2oc1[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccnc1 ZINC000423176063 434265082 /nfs/dbraw/zinc/26/50/82/434265082.db2.gz BUEIFSOXTHDPSW-IBGZPJMESA-N 2 2 307.397 3.259 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423186903 434270382 /nfs/dbraw/zinc/27/03/82/434270382.db2.gz KNEHINXJTHHMFG-IUODEOHRSA-N 2 2 318.852 3.237 20 0 DGADLP CSCc1cnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000295239669 434271963 /nfs/dbraw/zinc/27/19/63/434271963.db2.gz DRHJCNOOKYAXSR-LLVKDONJSA-N 2 2 308.476 3.109 20 0 DGADLP CSCc1cnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000295239669 434271973 /nfs/dbraw/zinc/27/19/73/434271973.db2.gz DRHJCNOOKYAXSR-LLVKDONJSA-N 2 2 308.476 3.109 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423196363 434275399 /nfs/dbraw/zinc/27/53/99/434275399.db2.gz ZSEXDXZOAUUGCW-RNCFNFMXSA-N 2 2 317.658 3.333 20 0 DGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423192907 434275473 /nfs/dbraw/zinc/27/54/73/434275473.db2.gz QEQSZSHETSNXKS-QUCCMNQESA-N 2 2 310.441 3.321 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423107686 434223949 /nfs/dbraw/zinc/22/39/49/434223949.db2.gz QANSZNORVHVURQ-OLZOCXBDSA-N 2 2 316.898 3.081 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000353557630 434226932 /nfs/dbraw/zinc/22/69/32/434226932.db2.gz VPVIZOAJWXQDQL-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000353557630 434226942 /nfs/dbraw/zinc/22/69/42/434226942.db2.gz VPVIZOAJWXQDQL-LBPRGKRZSA-N 2 2 307.488 3.255 20 0 DGADLP COC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000319915047 434230668 /nfs/dbraw/zinc/23/06/68/434230668.db2.gz UCZRDNPNNNUCPM-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP COC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000319915047 434230677 /nfs/dbraw/zinc/23/06/77/434230677.db2.gz UCZRDNPNNNUCPM-AEFFLSMTSA-N 2 2 302.462 3.056 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000358001136 434279151 /nfs/dbraw/zinc/27/91/51/434279151.db2.gz DIRLUBCWICZRFN-JXFKEZNVSA-N 2 2 324.472 3.210 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000358001136 434279159 /nfs/dbraw/zinc/27/91/59/434279159.db2.gz DIRLUBCWICZRFN-JXFKEZNVSA-N 2 2 324.472 3.210 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000358002632 434279622 /nfs/dbraw/zinc/27/96/22/434279622.db2.gz HTRSUCXEFXRQCE-JKIFEVAISA-N 2 2 318.461 3.227 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000358002632 434279627 /nfs/dbraw/zinc/27/96/27/434279627.db2.gz HTRSUCXEFXRQCE-JKIFEVAISA-N 2 2 318.461 3.227 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CCC[NH2+]C2)cc1OCC ZINC000423197271 434280353 /nfs/dbraw/zinc/28/03/53/434280353.db2.gz YRRZIBXFWFRFIA-HZPDHXFCSA-N 2 2 306.450 3.277 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)cc1OC ZINC000358005529 434283793 /nfs/dbraw/zinc/28/37/93/434283793.db2.gz NPWMUULFZYHGLQ-DZKIICNBSA-N 2 2 306.450 3.085 20 0 DGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000358005529 434283801 /nfs/dbraw/zinc/28/38/01/434283801.db2.gz NPWMUULFZYHGLQ-DZKIICNBSA-N 2 2 306.450 3.085 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000423278517 434333338 /nfs/dbraw/zinc/33/33/38/434333338.db2.gz RGOWYXWYKDTRNE-UWVGGRQHSA-N 2 2 303.219 3.094 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348260953 434288135 /nfs/dbraw/zinc/28/81/35/434288135.db2.gz FPCAQVJUXSEJKR-MHORFTMASA-N 2 2 305.466 3.361 20 0 DGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348260953 434288146 /nfs/dbraw/zinc/28/81/46/434288146.db2.gz FPCAQVJUXSEJKR-MHORFTMASA-N 2 2 305.466 3.361 20 0 DGADLP C[NH2+]CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423222948 434295548 /nfs/dbraw/zinc/29/55/48/434295548.db2.gz DHQGPWSXPGTVKW-RNCFNFMXSA-N 2 2 315.280 3.041 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030545 434295953 /nfs/dbraw/zinc/29/59/53/434295953.db2.gz ASTQUVMFVIVACW-IPYPFGDCSA-N 2 2 316.474 3.338 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000358030545 434295957 /nfs/dbraw/zinc/29/59/57/434295957.db2.gz ASTQUVMFVIVACW-IPYPFGDCSA-N 2 2 316.474 3.338 20 0 DGADLP Cc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)[C@@H](C)C2 ZINC000423228669 434299600 /nfs/dbraw/zinc/29/96/00/434299600.db2.gz DOOCTOUQHWCXRE-YWZLYKJASA-N 2 2 322.456 3.145 20 0 DGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645750 434299956 /nfs/dbraw/zinc/29/99/56/434299956.db2.gz BWLOBEOSDSWXRL-HOCLYGCPSA-N 2 2 323.506 3.301 20 0 DGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645750 434299966 /nfs/dbraw/zinc/29/99/66/434299966.db2.gz BWLOBEOSDSWXRL-HOCLYGCPSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645750 434299971 /nfs/dbraw/zinc/29/99/71/434299971.db2.gz BWLOBEOSDSWXRL-HOCLYGCPSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353645750 434299979 /nfs/dbraw/zinc/29/99/79/434299979.db2.gz BWLOBEOSDSWXRL-HOCLYGCPSA-N 2 2 323.506 3.301 20 0 DGADLP Cc1cccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1C ZINC000423229224 434300525 /nfs/dbraw/zinc/30/05/25/434300525.db2.gz GXMKPGSXPAAUHG-INIZCTEOSA-N 2 2 310.445 3.281 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1csc(Cl)c1 ZINC000423230568 434300926 /nfs/dbraw/zinc/30/09/26/434300926.db2.gz JMGYOEOZPKNJGG-NSHDSACASA-N 2 2 322.865 3.379 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](Cn2cccn2)C(C)C)cc1 ZINC000423233002 434301465 /nfs/dbraw/zinc/30/14/65/434301465.db2.gz DBLSHUQZOWUOFI-OALUTQOASA-N 2 2 314.477 3.321 20 0 DGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423240627 434304680 /nfs/dbraw/zinc/30/46/80/434304680.db2.gz CMEMUEHLNMBEJW-JKSUJKDBSA-N 2 2 300.377 3.111 20 0 DGADLP CSC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000423234156 434304858 /nfs/dbraw/zinc/30/48/58/434304858.db2.gz LDNHLMGHZJFUFD-UONOGXRCSA-N 2 2 318.408 3.451 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000423240478 434306802 /nfs/dbraw/zinc/30/68/02/434306802.db2.gz HCAJLRQMSOVXGL-LBPRGKRZSA-N 2 2 319.474 3.387 20 0 DGADLP Clc1ccc([C@@H](Cc2cccnc2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423245929 434308658 /nfs/dbraw/zinc/30/86/58/434308658.db2.gz YYDCTJGGMIZSIB-ZWKOTPCHSA-N 2 2 315.848 3.360 20 0 DGADLP COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000353654896 434309319 /nfs/dbraw/zinc/30/93/19/434309319.db2.gz WCIFCESLZZULPO-IBGZPJMESA-N 2 2 324.424 3.095 20 0 DGADLP COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000353654896 434309327 /nfs/dbraw/zinc/30/93/27/434309327.db2.gz WCIFCESLZZULPO-IBGZPJMESA-N 2 2 324.424 3.095 20 0 DGADLP CC[NH2+]CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423243356 434310617 /nfs/dbraw/zinc/31/06/17/434310617.db2.gz KESVIBSFMVIOSM-LJQANCHMSA-N 2 2 316.420 3.317 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000423244473 434310940 /nfs/dbraw/zinc/31/09/40/434310940.db2.gz XQGZQECFKTUJDI-DGCLKSJQSA-N 2 2 302.340 3.030 20 0 DGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423244210 434311012 /nfs/dbraw/zinc/31/10/12/434311012.db2.gz NINLUVSONCQORS-YOEHRIQHSA-N 2 2 314.429 3.363 20 0 DGADLP COC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423252715 434312823 /nfs/dbraw/zinc/31/28/23/434312823.db2.gz UJSXEXLXMVAXCM-SJORKVTESA-N 2 2 304.821 3.317 20 0 DGADLP CC[C@H](NC[C@H]([NH3+])c1ccc(C(C)C)cc1)c1[nH+]ccn1C ZINC000423252613 434314913 /nfs/dbraw/zinc/31/49/13/434314913.db2.gz XUYUDMSWIAVFQC-IRXDYDNUSA-N 2 2 300.450 3.284 20 0 DGADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259156 434318135 /nfs/dbraw/zinc/31/81/35/434318135.db2.gz DCJYLXFUTSHPNR-NSISKUIASA-N 2 2 315.505 3.004 20 0 DGADLP CCC(C)(C)[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000517229832 294662562 /nfs/dbraw/zinc/66/25/62/294662562.db2.gz KHGUSMUDLALQMV-KRWDZBQOSA-N 3 2 317.521 3.394 20 0 DGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423260252 434320091 /nfs/dbraw/zinc/32/00/91/434320091.db2.gz HCZXMULHPTVBIB-SWLSCSKDSA-N 2 2 315.383 3.441 20 0 DGADLP CCOC(=O)[C@H](CC)[N@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000348435646 434321106 /nfs/dbraw/zinc/32/11/06/434321106.db2.gz KSWOQUNNSKXEIV-KRWDZBQOSA-N 2 2 304.434 3.129 20 0 DGADLP CCOC(=O)[C@H](CC)[N@@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000348435646 434321115 /nfs/dbraw/zinc/32/11/15/434321115.db2.gz KSWOQUNNSKXEIV-KRWDZBQOSA-N 2 2 304.434 3.129 20 0 DGADLP c1cn(C2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c[nH+]1 ZINC000437704629 434321387 /nfs/dbraw/zinc/32/13/87/434321387.db2.gz YZLYRNCDZPZEGN-UHFFFAOYSA-N 2 2 313.430 3.172 20 0 DGADLP CC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000387501095 434322953 /nfs/dbraw/zinc/32/29/53/434322953.db2.gz XQCRROZHYYNAJO-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC1 ZINC000387501095 434322962 /nfs/dbraw/zinc/32/29/62/434322962.db2.gz XQCRROZHYYNAJO-RBUKOAKNSA-N 2 2 316.489 3.446 20 0 DGADLP COc1ncc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000423262868 434324094 /nfs/dbraw/zinc/32/40/94/434324094.db2.gz NOJDFUGYHVKFEA-NHYWBVRUSA-N 2 2 311.857 3.302 20 0 DGADLP COC(=O)c1csc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000423271867 434326723 /nfs/dbraw/zinc/32/67/23/434326723.db2.gz YGTRKIRXVIBKME-BXUZGUMPSA-N 2 2 310.463 3.093 20 0 DGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000423269497 434327709 /nfs/dbraw/zinc/32/77/09/434327709.db2.gz GZFLNUQAMXJWCG-FZKQIMNGSA-N 2 2 301.409 3.064 20 0 DGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CC(C(C)C)C2)cc1 ZINC000423327855 434362888 /nfs/dbraw/zinc/36/28/88/434362888.db2.gz KLOVYPQYUBNXSV-HWMSQKFYSA-N 2 2 302.462 3.165 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390597349 434363253 /nfs/dbraw/zinc/36/32/53/434363253.db2.gz XFDGKSGTEXFELI-IAGOWNOFSA-N 2 2 312.457 3.433 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390597349 434363262 /nfs/dbraw/zinc/36/32/62/434363262.db2.gz XFDGKSGTEXFELI-IAGOWNOFSA-N 2 2 312.457 3.433 20 0 DGADLP COCC[NH2+]CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423327287 434364769 /nfs/dbraw/zinc/36/47/69/434364769.db2.gz KBQYHNPTDZINAA-AWEZNQCLSA-N 2 2 314.882 3.093 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]CCC2CCOCC2)cc1 ZINC000390653354 434368235 /nfs/dbraw/zinc/36/82/35/434368235.db2.gz ZPKZWQNZGPZBAD-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]CCC2CCOCC2)cc1 ZINC000390653354 434368244 /nfs/dbraw/zinc/36/82/44/434368244.db2.gz ZPKZWQNZGPZBAD-LJQANCHMSA-N 2 2 302.462 3.057 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423339462 434372279 /nfs/dbraw/zinc/37/22/79/434372279.db2.gz VCTMJUYOMIQSLT-KXBFYZLASA-N 3 2 312.461 3.221 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353735133 434378917 /nfs/dbraw/zinc/37/89/17/434378917.db2.gz HFIDZLYNNHIJPW-ZDUSSCGKSA-N 2 2 319.474 3.126 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccc(OC)cc3s2)C1 ZINC000353735133 434378927 /nfs/dbraw/zinc/37/89/27/434378927.db2.gz HFIDZLYNNHIJPW-ZDUSSCGKSA-N 2 2 319.474 3.126 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC1(C)C ZINC000417391148 434379128 /nfs/dbraw/zinc/37/91/28/434379128.db2.gz ADPTZRLQVHYBCZ-ROUUACIJSA-N 2 2 301.478 3.460 20 0 DGADLP CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H](C)[NH3+] ZINC000423377659 434391934 /nfs/dbraw/zinc/39/19/34/434391934.db2.gz VZHUOQZMNQEHHZ-BDJLRTHQSA-N 2 2 314.433 3.388 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1OC ZINC000353685380 434337323 /nfs/dbraw/zinc/33/73/23/434337323.db2.gz VHOUXZMDOBLOLQ-YSVLISHTSA-N 2 2 320.477 3.016 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1OC ZINC000353685380 434337329 /nfs/dbraw/zinc/33/73/29/434337329.db2.gz VHOUXZMDOBLOLQ-YSVLISHTSA-N 2 2 320.477 3.016 20 0 DGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000423280356 434338602 /nfs/dbraw/zinc/33/86/02/434338602.db2.gz TYADEZUGOGCGAF-RNCFNFMXSA-N 2 2 303.219 3.222 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423294826 434344327 /nfs/dbraw/zinc/34/43/27/434344327.db2.gz CVHUQEPMOPBUKX-QRQLOZEOSA-N 3 2 303.494 3.004 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423294826 434344336 /nfs/dbraw/zinc/34/43/36/434344336.db2.gz CVHUQEPMOPBUKX-QRQLOZEOSA-N 3 2 303.494 3.004 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423300803 434349569 /nfs/dbraw/zinc/34/95/69/434349569.db2.gz FWOQZKMUYYKPBS-GOSISDBHSA-N 2 2 316.832 3.247 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423315345 434354657 /nfs/dbraw/zinc/35/46/57/434354657.db2.gz XIBFAWFDLXVLEB-DLBZAZTESA-N 2 2 310.869 3.019 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000423307990 434355652 /nfs/dbraw/zinc/35/56/52/434355652.db2.gz ILRMIHGJZPQHBZ-ZDUSSCGKSA-N 2 2 320.868 3.484 20 0 DGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000358160765 434355806 /nfs/dbraw/zinc/35/58/06/434355806.db2.gz WURBFQDLAAVDMC-RHSMWYFYSA-N 2 2 310.869 3.492 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000423315486 434355912 /nfs/dbraw/zinc/35/59/12/434355912.db2.gz XNHTWLLIKOGWIG-SNVBAGLBSA-N 2 2 305.285 3.469 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000423315480 434356411 /nfs/dbraw/zinc/35/64/11/434356411.db2.gz XNHTWLLIKOGWIG-JTQLQIEISA-N 2 2 305.285 3.469 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000423308715 434356569 /nfs/dbraw/zinc/35/65/69/434356569.db2.gz JUPSGXUTTRSZEI-SNVBAGLBSA-N 2 2 303.219 3.238 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)CCC2 ZINC000366207511 434357692 /nfs/dbraw/zinc/35/76/92/434357692.db2.gz CDGLMXMWQAOIFV-BBRMVZONSA-N 2 2 301.409 3.429 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000423316815 434357886 /nfs/dbraw/zinc/35/78/86/434357886.db2.gz YDQCQTAIFVLATQ-INIZCTEOSA-N 2 2 314.477 3.448 20 0 DGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423318752 434358456 /nfs/dbraw/zinc/35/84/56/434358456.db2.gz ZIVMASVZIYHMSI-JTQLQIEISA-N 2 2 303.219 3.238 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000390423967 434360148 /nfs/dbraw/zinc/36/01/48/434360148.db2.gz UAHXXKUDRDIKHW-PMACEKPBSA-N 2 2 318.424 3.166 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000366529919 434443294 /nfs/dbraw/zinc/44/32/94/434443294.db2.gz QXAIQWASBNTLMA-JCAIJIATSA-N 2 2 320.481 3.114 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000366529919 434443303 /nfs/dbraw/zinc/44/33/03/434443303.db2.gz QXAIQWASBNTLMA-JCAIJIATSA-N 2 2 320.481 3.114 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866977 434449044 /nfs/dbraw/zinc/44/90/44/434449044.db2.gz GOAMCNWPBMVVMM-HKUYNNGSSA-N 2 2 324.509 3.161 20 0 DGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000397892082 434446879 /nfs/dbraw/zinc/44/68/79/434446879.db2.gz QDQKEJJIERKNLD-LLVKDONJSA-N 2 2 302.340 3.330 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000423376481 434392669 /nfs/dbraw/zinc/39/26/69/434392669.db2.gz JLEZPOZKKWLLLV-NXEZZACHSA-N 2 2 303.219 3.237 20 0 DGADLP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000393662862 434398311 /nfs/dbraw/zinc/39/83/11/434398311.db2.gz ZJIUCELNRFPRQZ-QGZVFWFLSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000393662862 434398321 /nfs/dbraw/zinc/39/83/21/434398321.db2.gz ZJIUCELNRFPRQZ-QGZVFWFLSA-N 2 2 304.478 3.038 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000438100287 434402102 /nfs/dbraw/zinc/40/21/02/434402102.db2.gz CDRLKDHUVBWMHC-IAGOWNOFSA-N 2 2 313.445 3.236 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@@H]1CCOC1 ZINC000438100287 434402111 /nfs/dbraw/zinc/40/21/11/434402111.db2.gz CDRLKDHUVBWMHC-IAGOWNOFSA-N 2 2 313.445 3.236 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753666 434403792 /nfs/dbraw/zinc/40/37/92/434403792.db2.gz XJTNCZGURFKWRF-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753666 434403801 /nfs/dbraw/zinc/40/38/01/434403801.db2.gz XJTNCZGURFKWRF-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753666 434403817 /nfs/dbraw/zinc/40/38/17/434403817.db2.gz XJTNCZGURFKWRF-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC)C[C@H]1C ZINC000353753666 434403827 /nfs/dbraw/zinc/40/38/27/434403827.db2.gz XJTNCZGURFKWRF-ZBFHGGJFSA-N 2 2 306.450 3.008 20 0 DGADLP COC[C@]1(C[NH2+][C@H](c2ccccc2)c2ccc(C)cc2)CCC[NH2+]1 ZINC000423408703 434408937 /nfs/dbraw/zinc/40/89/37/434408937.db2.gz AWGZSOPWFVYFLH-NHCUHLMSSA-N 2 2 324.468 3.443 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)CCC[NH2+]1 ZINC000423415611 434411839 /nfs/dbraw/zinc/41/18/39/434411839.db2.gz DWBWICBHPXIFMF-BEFAXECRSA-N 2 2 314.429 3.366 20 0 DGADLP COC[C@]1(C[NH2+][C@@H](C)c2oc3ccccc3c2C)CCC[NH2+]1 ZINC000423416667 434413811 /nfs/dbraw/zinc/41/38/11/434413811.db2.gz FXYHNLYXEYYNML-KBXCAEBGSA-N 2 2 302.418 3.160 20 0 DGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CCC[NH2+]1 ZINC000423416680 434414658 /nfs/dbraw/zinc/41/46/58/434414658.db2.gz FYARCFGQWSDNSC-APWZRJJASA-N 2 2 320.477 3.141 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000423416975 434417085 /nfs/dbraw/zinc/41/70/85/434417085.db2.gz DTUVJQZFTSTVSX-JPLJXNOCSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000423416975 434417093 /nfs/dbraw/zinc/41/70/93/434417093.db2.gz DTUVJQZFTSTVSX-JPLJXNOCSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000348632110 434420726 /nfs/dbraw/zinc/42/07/26/434420726.db2.gz GXPDOWBJOXHFBR-UKRRQHHQSA-N 2 2 318.852 3.046 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896741 434424422 /nfs/dbraw/zinc/42/44/22/434424422.db2.gz MRBHXNWWADDETK-AEFFLSMTSA-N 2 2 310.445 3.039 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncn1 ZINC000395896741 434424428 /nfs/dbraw/zinc/42/44/28/434424428.db2.gz MRBHXNWWADDETK-AEFFLSMTSA-N 2 2 310.445 3.039 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCSC1 ZINC000438181294 434428822 /nfs/dbraw/zinc/42/88/22/434428822.db2.gz UXSKYMPVBGSNRZ-AVGNSLFASA-N 2 2 310.429 3.134 20 0 DGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423455859 434432992 /nfs/dbraw/zinc/43/29/92/434432992.db2.gz DBUSVCNQGBWATC-IUCAKERBSA-N 2 2 324.318 3.277 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423455860 434434274 /nfs/dbraw/zinc/43/42/74/434434274.db2.gz DBUSVCNQGBWATC-RKDXNWHRSA-N 2 2 324.318 3.277 20 0 DGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490713 434434280 /nfs/dbraw/zinc/43/42/80/434434280.db2.gz PRJRRSPSNGQZJE-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490713 434434286 /nfs/dbraw/zinc/43/42/86/434434286.db2.gz PRJRRSPSNGQZJE-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490713 434434293 /nfs/dbraw/zinc/43/42/93/434434293.db2.gz PRJRRSPSNGQZJE-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(-c4cccs4)s3)C2)C1 ZINC000366490713 434434302 /nfs/dbraw/zinc/43/43/02/434434302.db2.gz PRJRRSPSNGQZJE-MRXNPFEDSA-N 2 2 319.499 3.399 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450866977 434449055 /nfs/dbraw/zinc/44/90/55/434449055.db2.gz GOAMCNWPBMVVMM-HKUYNNGSSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450866977 434449060 /nfs/dbraw/zinc/44/90/60/434449060.db2.gz GOAMCNWPBMVVMM-HKUYNNGSSA-N 2 2 324.509 3.161 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000295802642 434437741 /nfs/dbraw/zinc/43/77/41/434437741.db2.gz CGCWXVVSXYFJDU-QFBILLFUSA-N 2 2 324.472 3.492 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000295802642 434437752 /nfs/dbraw/zinc/43/77/52/434437752.db2.gz CGCWXVVSXYFJDU-QFBILLFUSA-N 2 2 324.472 3.492 20 0 DGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000397325185 434437780 /nfs/dbraw/zinc/43/77/80/434437780.db2.gz UVVXBOYZBYGMRF-VWYCJHECSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000397325185 434437788 /nfs/dbraw/zinc/43/77/88/434437788.db2.gz UVVXBOYZBYGMRF-VWYCJHECSA-N 2 2 317.296 3.316 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000397344985 434438289 /nfs/dbraw/zinc/43/82/89/434438289.db2.gz GCFIIKQHOURVSL-MCIONIFRSA-N 2 2 316.474 3.010 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000397344985 434438297 /nfs/dbraw/zinc/43/82/97/434438297.db2.gz GCFIIKQHOURVSL-MCIONIFRSA-N 2 2 316.474 3.010 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1nccs1 ZINC000423474482 434440558 /nfs/dbraw/zinc/44/05/58/434440558.db2.gz PBJRPPPRZFIJGO-IVMMDQJWSA-N 2 2 319.449 3.326 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000397787673 434440754 /nfs/dbraw/zinc/44/07/54/434440754.db2.gz QWEMQCSQDPIZMR-AWEZNQCLSA-N 2 2 309.251 3.120 20 0 DGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866977 434449037 /nfs/dbraw/zinc/44/90/37/434449037.db2.gz GOAMCNWPBMVVMM-HKUYNNGSSA-N 2 2 324.509 3.161 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(F)cn1 ZINC000287817590 434459370 /nfs/dbraw/zinc/45/93/70/434459370.db2.gz UZPLRPSAYBSFGW-GJZGRUSLSA-N 2 2 323.456 3.248 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(F)cn1 ZINC000287817590 434459380 /nfs/dbraw/zinc/45/93/80/434459380.db2.gz UZPLRPSAYBSFGW-GJZGRUSLSA-N 2 2 323.456 3.248 20 0 DGADLP C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H](C[NH3+])C1CC1 ZINC000359981753 434459970 /nfs/dbraw/zinc/45/99/70/434459970.db2.gz AOUBSJKJUHPBJD-MRXNPFEDSA-N 2 2 305.809 3.164 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H](C[NH3+])C1CC1 ZINC000359981753 434459984 /nfs/dbraw/zinc/45/99/84/434459984.db2.gz AOUBSJKJUHPBJD-MRXNPFEDSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000423497961 434461031 /nfs/dbraw/zinc/46/10/31/434461031.db2.gz AQSUTUGBVWSWFQ-HNJNHCNJSA-N 2 2 302.368 3.371 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000423501200 434461684 /nfs/dbraw/zinc/46/16/84/434461684.db2.gz LBZFUFQVCYVDQV-CXAGYDPISA-N 2 2 314.429 3.314 20 0 DGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423501379 434461902 /nfs/dbraw/zinc/46/19/02/434461902.db2.gz DJGHSDAXDVUYFS-VOBQZIQPSA-N 2 2 323.440 3.051 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000423497983 434462427 /nfs/dbraw/zinc/46/24/27/434462427.db2.gz AUJRRZHQPMKSTL-OCBCSQNSSA-N 2 2 302.368 3.371 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295992901 434466498 /nfs/dbraw/zinc/46/64/98/434466498.db2.gz PELUTLFSKULMDN-KRWDZBQOSA-N 2 2 309.417 3.213 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295992901 434466512 /nfs/dbraw/zinc/46/65/12/434466512.db2.gz PELUTLFSKULMDN-KRWDZBQOSA-N 2 2 309.417 3.213 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295992902 434467761 /nfs/dbraw/zinc/46/77/61/434467761.db2.gz PELUTLFSKULMDN-QGZVFWFLSA-N 2 2 309.417 3.213 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295992902 434467772 /nfs/dbraw/zinc/46/77/72/434467772.db2.gz PELUTLFSKULMDN-QGZVFWFLSA-N 2 2 309.417 3.213 20 0 DGADLP c1ccc(CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423516822 434469559 /nfs/dbraw/zinc/46/95/59/434469559.db2.gz GYXLKTHPALOJGG-SFTDATJTSA-N 2 2 324.468 3.329 20 0 DGADLP CCOC1CC([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000360006566 434475112 /nfs/dbraw/zinc/47/51/12/434475112.db2.gz JZBMZAPOCUGHEZ-CTWPCTMYSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000360006566 434475122 /nfs/dbraw/zinc/47/51/22/434475122.db2.gz JZBMZAPOCUGHEZ-CTWPCTMYSA-N 2 2 302.462 3.054 20 0 DGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534192 434481115 /nfs/dbraw/zinc/48/11/15/434481115.db2.gz VLOSJWGCVJOYER-AYOQOUSVSA-N 2 2 310.441 3.410 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399762758 434481547 /nfs/dbraw/zinc/48/15/47/434481547.db2.gz TZXGDBMXUDFFQH-PXNSSMCTSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399762758 434481556 /nfs/dbraw/zinc/48/15/56/434481556.db2.gz TZXGDBMXUDFFQH-PXNSSMCTSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000399820088 434483084 /nfs/dbraw/zinc/48/30/84/434483084.db2.gz PGVMYLHBBMGBBV-XLIONFOSSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000399820088 434483095 /nfs/dbraw/zinc/48/30/95/434483095.db2.gz PGVMYLHBBMGBBV-XLIONFOSSA-N 2 2 309.457 3.185 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC[C@@H]2CCOC2)CCC1 ZINC000400711392 434489065 /nfs/dbraw/zinc/48/90/65/434489065.db2.gz SERTWQJMUDLCOM-GOSISDBHSA-N 2 2 302.462 3.057 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC[C@@H]2CCOC2)CCC1 ZINC000400711392 434489074 /nfs/dbraw/zinc/48/90/74/434489074.db2.gz SERTWQJMUDLCOM-GOSISDBHSA-N 2 2 302.462 3.057 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000521868806 294890270 /nfs/dbraw/zinc/89/02/70/294890270.db2.gz QYKPCKRTYWLFHT-INIZCTEOSA-N 2 2 324.346 3.275 20 0 DGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)COC2 ZINC000360044498 434489947 /nfs/dbraw/zinc/48/99/47/434489947.db2.gz FQGOLSDDIVUDJJ-CQSZACIVSA-N 2 2 311.429 3.143 20 0 DGADLP CC(C)(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc2ccccc2o1 ZINC000423578647 434491289 /nfs/dbraw/zinc/49/12/89/434491289.db2.gz USGNCPWCADXDCL-PBHICJAKSA-N 2 2 302.418 3.098 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1F ZINC000423493942 434456643 /nfs/dbraw/zinc/45/66/43/434456643.db2.gz RKFZBHOVNRPEDK-CJNGLKHVSA-N 2 2 314.832 3.144 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)[C@H]1CC[NH3+] ZINC000404339603 434511711 /nfs/dbraw/zinc/51/17/11/434511711.db2.gz CWENYIQDUAUFPS-OCCSQVGLSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)[C@H]1CC[NH3+] ZINC000404339603 434511716 /nfs/dbraw/zinc/51/17/16/434511716.db2.gz CWENYIQDUAUFPS-OCCSQVGLSA-N 2 2 305.447 3.352 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473913 434515985 /nfs/dbraw/zinc/51/59/85/434515985.db2.gz UPEGDSFNAAAIGK-RDTXWAMCSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000404473913 434515993 /nfs/dbraw/zinc/51/59/93/434515993.db2.gz UPEGDSFNAAAIGK-RDTXWAMCSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473905 434516133 /nfs/dbraw/zinc/51/61/33/434516133.db2.gz UPEGDSFNAAAIGK-KBXCAEBGSA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000404473905 434516143 /nfs/dbraw/zinc/51/61/43/434516143.db2.gz UPEGDSFNAAAIGK-KBXCAEBGSA-N 2 2 315.486 3.452 20 0 DGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000348832640 434516397 /nfs/dbraw/zinc/51/63/97/434516397.db2.gz KBHRTAIHTBJEHB-QGZVFWFLSA-N 2 2 323.431 3.058 20 0 DGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000348832640 434516403 /nfs/dbraw/zinc/51/64/03/434516403.db2.gz KBHRTAIHTBJEHB-QGZVFWFLSA-N 2 2 323.431 3.058 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000353913493 434523018 /nfs/dbraw/zinc/52/30/18/434523018.db2.gz JCRLLAXWZZRODG-AAILRHKWSA-N 2 2 324.509 3.351 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000353913493 434523027 /nfs/dbraw/zinc/52/30/27/434523027.db2.gz JCRLLAXWZZRODG-AAILRHKWSA-N 2 2 324.509 3.351 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H](C)O1 ZINC000296156618 434523936 /nfs/dbraw/zinc/52/39/36/434523936.db2.gz WHERTVCBEZZAGR-JMSVASOKSA-N 2 2 305.809 3.181 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000353931496 434532853 /nfs/dbraw/zinc/53/28/53/434532853.db2.gz QPPGTLOWGXZQTO-INECWFNRSA-N 2 2 324.509 3.208 20 0 DGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000353931496 434532858 /nfs/dbraw/zinc/53/28/58/434532858.db2.gz QPPGTLOWGXZQTO-INECWFNRSA-N 2 2 324.509 3.208 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2ccco2)N2CCCC2)c[nH+]1 ZINC000353945124 434539790 /nfs/dbraw/zinc/53/97/90/434539790.db2.gz NKYJUUWQAWQHAI-SFHVURJKSA-N 2 2 313.445 3.342 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)n(C)n1 ZINC000417907687 434547016 /nfs/dbraw/zinc/54/70/16/434547016.db2.gz ALWXKNITCBNVSW-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)CC2 ZINC000360241167 434559287 /nfs/dbraw/zinc/55/92/87/434559287.db2.gz IHNWRBPVANLUOE-FQEVSTJZSA-N 2 2 310.441 3.404 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)CC2 ZINC000360241167 434559293 /nfs/dbraw/zinc/55/92/93/434559293.db2.gz IHNWRBPVANLUOE-FQEVSTJZSA-N 2 2 310.441 3.404 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccnc3ccccc13)CCC2 ZINC000525682712 295025679 /nfs/dbraw/zinc/02/56/79/295025679.db2.gz ZAJYBLUMOBAOKM-INIZCTEOSA-N 2 2 306.413 3.407 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000527098604 295077470 /nfs/dbraw/zinc/07/74/70/295077470.db2.gz UQBDXSNNLZXNGY-IEBWSBKVSA-N 2 2 304.478 3.159 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000527098604 295077473 /nfs/dbraw/zinc/07/74/73/295077473.db2.gz UQBDXSNNLZXNGY-IEBWSBKVSA-N 2 2 304.478 3.159 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000527214717 295084108 /nfs/dbraw/zinc/08/41/08/295084108.db2.gz NXZWXVHLIKYSJR-INIZCTEOSA-N 2 2 317.458 3.499 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000459365349 434570005 /nfs/dbraw/zinc/57/00/05/434570005.db2.gz AWUNKLWPPXGOGN-OAHLLOKOSA-N 2 2 319.836 3.159 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000459365349 434570011 /nfs/dbraw/zinc/57/00/11/434570011.db2.gz AWUNKLWPPXGOGN-OAHLLOKOSA-N 2 2 319.836 3.159 20 0 DGADLP Cc1cc(NC(=O)[C@@H](C)[NH2+]C2CC2)ccc1Oc1cc[nH+]cc1 ZINC000423900224 434570889 /nfs/dbraw/zinc/57/08/89/434570889.db2.gz HNZZKDHKFJEJSJ-CYBMUJFWSA-N 2 2 311.385 3.261 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535284 295101953 /nfs/dbraw/zinc/10/19/53/295101953.db2.gz REWUBSXJEDJMIT-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535284 295101954 /nfs/dbraw/zinc/10/19/54/295101954.db2.gz REWUBSXJEDJMIT-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535284 295101956 /nfs/dbraw/zinc/10/19/56/295101956.db2.gz REWUBSXJEDJMIT-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)ccn1 ZINC000527535284 295101957 /nfs/dbraw/zinc/10/19/57/295101957.db2.gz REWUBSXJEDJMIT-MJGOQNOKSA-N 2 2 301.478 3.476 20 0 DGADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Cl ZINC000527633641 295107060 /nfs/dbraw/zinc/10/70/60/295107060.db2.gz PKMCYQYHECHDQV-UHFFFAOYSA-N 2 2 300.780 3.335 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672268 295113548 /nfs/dbraw/zinc/11/35/48/295113548.db2.gz GMSHLZOFWQMAAX-BXKDBHETSA-N 2 2 304.381 3.339 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000527672268 295113550 /nfs/dbraw/zinc/11/35/50/295113550.db2.gz GMSHLZOFWQMAAX-BXKDBHETSA-N 2 2 304.381 3.339 20 0 DGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000527695334 295116948 /nfs/dbraw/zinc/11/69/48/295116948.db2.gz NIUIUQSUXZZUJR-GXTWGEPZSA-N 2 2 315.408 3.301 20 0 DGADLP COc1ccc[nH+]c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000527887319 295145765 /nfs/dbraw/zinc/14/57/65/295145765.db2.gz PFPSRGPJTWXWMC-QGZVFWFLSA-N 2 2 311.429 3.067 20 0 DGADLP COc1ccc[nH+]c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000527887319 295145767 /nfs/dbraw/zinc/14/57/67/295145767.db2.gz PFPSRGPJTWXWMC-QGZVFWFLSA-N 2 2 311.429 3.067 20 0 DGADLP CC(C)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000527905223 295148047 /nfs/dbraw/zinc/14/80/47/295148047.db2.gz SNWJSSKZYVQXPW-APWZRJJASA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000527905223 295148049 /nfs/dbraw/zinc/14/80/49/295148049.db2.gz SNWJSSKZYVQXPW-APWZRJJASA-N 2 2 304.478 3.307 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C(C)C)c1 ZINC000527905812 295148519 /nfs/dbraw/zinc/14/85/19/295148519.db2.gz VWMRCQUFGNKACY-RTBURBONSA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C(C)C)c1 ZINC000527905812 295148520 /nfs/dbraw/zinc/14/85/20/295148520.db2.gz VWMRCQUFGNKACY-RTBURBONSA-N 2 2 304.478 3.129 20 0 DGADLP Cc1cc(NC(=O)C[NH2+]CC2CC2)ccc1Oc1cc[nH+]cc1 ZINC000423911472 434577404 /nfs/dbraw/zinc/57/74/04/434577404.db2.gz RZOLQCDMIDBWQA-UHFFFAOYSA-N 2 2 311.385 3.120 20 0 DGADLP COc1ccc(OC)c(C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000303983820 295175632 /nfs/dbraw/zinc/17/56/32/295175632.db2.gz BWQXQEDSQTWBDA-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP COc1ccc(OC)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000303983820 295175634 /nfs/dbraw/zinc/17/56/34/295175634.db2.gz BWQXQEDSQTWBDA-UHFFFAOYSA-N 2 2 314.429 3.055 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513440 295221517 /nfs/dbraw/zinc/22/15/17/295221517.db2.gz UCIFMWHBBYNHOF-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513440 295221519 /nfs/dbraw/zinc/22/15/19/295221519.db2.gz UCIFMWHBBYNHOF-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513440 295221521 /nfs/dbraw/zinc/22/15/21/295221521.db2.gz UCIFMWHBBYNHOF-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccnc3C(F)(F)F)C2)C1 ZINC000528513440 295221523 /nfs/dbraw/zinc/22/15/23/295221523.db2.gz UCIFMWHBBYNHOF-HNNXBMFYSA-N 2 2 313.367 3.018 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000423323453 295225646 /nfs/dbraw/zinc/22/56/46/295225646.db2.gz HLDJCWAIZUSHLD-JCGIZDLHSA-N 2 2 314.429 3.393 20 0 DGADLP c1nc(C2CC2)ncc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000459431116 434583972 /nfs/dbraw/zinc/58/39/72/434583972.db2.gz QXARQOWXLNQMSC-UHFFFAOYSA-N 2 2 314.477 3.241 20 0 DGADLP FC(F)Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354045666 434593189 /nfs/dbraw/zinc/59/31/89/434593189.db2.gz XQLZKWCICIDIDM-OAHLLOKOSA-N 2 2 320.339 3.336 20 0 DGADLP FC(F)Oc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354045666 434593195 /nfs/dbraw/zinc/59/31/95/434593195.db2.gz XQLZKWCICIDIDM-OAHLLOKOSA-N 2 2 320.339 3.336 20 0 DGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349153752 434621412 /nfs/dbraw/zinc/62/14/12/434621412.db2.gz SOSZOTNXWQNVNX-CQSZACIVSA-N 2 2 319.836 3.462 20 0 DGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349153752 434621416 /nfs/dbraw/zinc/62/14/16/434621416.db2.gz SOSZOTNXWQNVNX-CQSZACIVSA-N 2 2 319.836 3.462 20 0 DGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2c[nH+]cn2C(C)C)C1 ZINC000424138656 434633735 /nfs/dbraw/zinc/63/37/35/434633735.db2.gz DLZCLDKGAPFPAN-INIZCTEOSA-N 2 2 306.498 3.454 20 0 DGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNCc2c[nH+]cn2C(C)C)C1 ZINC000424138656 434633740 /nfs/dbraw/zinc/63/37/40/434633740.db2.gz DLZCLDKGAPFPAN-INIZCTEOSA-N 2 2 306.498 3.454 20 0 DGADLP CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](C)C(C)C ZINC000409447860 434601814 /nfs/dbraw/zinc/60/18/14/434601814.db2.gz XDTBPVSMUATZFV-IRXDYDNUSA-N 2 2 317.477 3.380 20 0 DGADLP CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](C)C(C)C ZINC000409447860 434601820 /nfs/dbraw/zinc/60/18/20/434601820.db2.gz XDTBPVSMUATZFV-IRXDYDNUSA-N 2 2 317.477 3.380 20 0 DGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc([C@H]2CCCO2)s1 ZINC000349372450 434695606 /nfs/dbraw/zinc/69/56/06/434695606.db2.gz UUONSOGNXYQNTO-MRXNPFEDSA-N 2 2 323.506 3.302 20 0 DGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc([C@H]2CCCO2)s1 ZINC000349372450 434695614 /nfs/dbraw/zinc/69/56/14/434695614.db2.gz UUONSOGNXYQNTO-MRXNPFEDSA-N 2 2 323.506 3.302 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000459640574 434646174 /nfs/dbraw/zinc/64/61/74/434646174.db2.gz XGDIBQWCFCHXJN-WZGPROSRSA-N 2 2 302.462 3.368 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000459640574 434646179 /nfs/dbraw/zinc/64/61/79/434646179.db2.gz XGDIBQWCFCHXJN-WZGPROSRSA-N 2 2 302.462 3.368 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167153 434648679 /nfs/dbraw/zinc/64/86/79/434648679.db2.gz OHOJQGZQTBHJLF-ROVVAWJSSA-N 2 2 306.400 3.396 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167153 434648684 /nfs/dbraw/zinc/64/86/84/434648684.db2.gz OHOJQGZQTBHJLF-ROVVAWJSSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167153 434648689 /nfs/dbraw/zinc/64/86/89/434648689.db2.gz OHOJQGZQTBHJLF-ROVVAWJSSA-N 2 2 306.400 3.396 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000354167153 434648692 /nfs/dbraw/zinc/64/86/92/434648692.db2.gz OHOJQGZQTBHJLF-ROVVAWJSSA-N 2 2 306.400 3.396 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664069 434654420 /nfs/dbraw/zinc/65/44/20/434654420.db2.gz HVTYMPIMFUOWLU-XOPPTJLZSA-N 2 2 308.828 3.407 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000459664069 434654424 /nfs/dbraw/zinc/65/44/24/434654424.db2.gz HVTYMPIMFUOWLU-XOPPTJLZSA-N 2 2 308.828 3.407 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccn(C)n1 ZINC000459753598 434699102 /nfs/dbraw/zinc/69/91/02/434699102.db2.gz NLHPZUUPNUAQMX-HLLBOEOZSA-N 2 2 304.482 3.114 20 0 DGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354176117 434655500 /nfs/dbraw/zinc/65/55/00/434655500.db2.gz JLKDYCAFHSJQRD-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354176117 434655505 /nfs/dbraw/zinc/65/55/05/434655505.db2.gz JLKDYCAFHSJQRD-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354176117 434655509 /nfs/dbraw/zinc/65/55/09/434655509.db2.gz JLKDYCAFHSJQRD-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354176117 434655516 /nfs/dbraw/zinc/65/55/16/434655516.db2.gz JLKDYCAFHSJQRD-LJQANCHMSA-N 2 2 318.461 3.012 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000349313222 434668239 /nfs/dbraw/zinc/66/82/39/434668239.db2.gz NZRGPHDQCRMTMF-IEZWGBDMSA-N 2 2 320.477 3.091 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](OC(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000349313222 434668246 /nfs/dbraw/zinc/66/82/46/434668246.db2.gz NZRGPHDQCRMTMF-IEZWGBDMSA-N 2 2 320.477 3.091 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224355 434677871 /nfs/dbraw/zinc/67/78/71/434677871.db2.gz NQEIBRJFOBPJGE-NVXWUHKLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224355 434677875 /nfs/dbraw/zinc/67/78/75/434677875.db2.gz NQEIBRJFOBPJGE-NVXWUHKLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224355 434677883 /nfs/dbraw/zinc/67/78/83/434677883.db2.gz NQEIBRJFOBPJGE-NVXWUHKLSA-N 2 2 317.477 3.047 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C)c2C)C[C@H]1C ZINC000354224355 434677886 /nfs/dbraw/zinc/67/78/86/434677886.db2.gz NQEIBRJFOBPJGE-NVXWUHKLSA-N 2 2 317.477 3.047 20 0 DGADLP COC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCC1 ZINC000349345901 434683660 /nfs/dbraw/zinc/68/36/60/434683660.db2.gz JQFHDVLHGZIRSI-UHFFFAOYSA-N 2 2 305.466 3.335 20 0 DGADLP Cc1cccn2c(C[NH2+]CCSCC(F)(F)F)c[nH+]c12 ZINC000354279677 434702108 /nfs/dbraw/zinc/70/21/08/434702108.db2.gz CLVAZOSCIYCACB-UHFFFAOYSA-N 2 2 303.353 3.028 20 0 DGADLP c1cncc(C[NH+]2CCC(Nc3c[nH+]c4c(c3)CCCC4)CC2)c1 ZINC000360832405 434706791 /nfs/dbraw/zinc/70/67/91/434706791.db2.gz FCFDRNHSPNQFAG-UHFFFAOYSA-N 2 2 322.456 3.432 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000354290851 434708480 /nfs/dbraw/zinc/70/84/80/434708480.db2.gz YOCPUZINLMVIIO-KRWDZBQOSA-N 2 2 314.433 3.320 20 0 DGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000424376801 434715179 /nfs/dbraw/zinc/71/51/79/434715179.db2.gz PSMDKIHDCUGRGG-ZLKJLUDKSA-N 2 2 312.841 3.278 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459778985 434716450 /nfs/dbraw/zinc/71/64/50/434716450.db2.gz UJRKQPJDILRIJU-HNNXBMFYSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459778985 434716457 /nfs/dbraw/zinc/71/64/57/434716457.db2.gz UJRKQPJDILRIJU-HNNXBMFYSA-N 2 2 306.450 3.232 20 0 DGADLP Cc1ccc(CCC[NH2+]CCOc2ccc(F)c(F)c2)c[nH+]1 ZINC000354350204 434731116 /nfs/dbraw/zinc/73/11/16/434731116.db2.gz ZABWEDOPOWAJHP-UHFFFAOYSA-N 2 2 306.356 3.269 20 0 DGADLP Cc1nc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c(C)c(C)[nH+]1 ZINC000354384987 434744269 /nfs/dbraw/zinc/74/42/69/434744269.db2.gz HRUGUTPIGMEJSB-XNJGSVPQSA-N 2 2 302.466 3.243 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000411342250 434765879 /nfs/dbraw/zinc/76/58/79/434765879.db2.gz FIAOCTDOEPFVHV-CABCVRRESA-N 2 2 319.497 3.151 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000411342250 434765882 /nfs/dbraw/zinc/76/58/82/434765882.db2.gz FIAOCTDOEPFVHV-CABCVRRESA-N 2 2 319.497 3.151 20 0 DGADLP CO[C@H](CC(C)C)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000419274623 434762210 /nfs/dbraw/zinc/76/22/10/434762210.db2.gz BVWZHLXNHVAHMX-OAHLLOKOSA-N 2 2 324.431 3.396 20 0 DGADLP CO[C@H](CC(C)C)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000419274623 434762215 /nfs/dbraw/zinc/76/22/15/434762215.db2.gz BVWZHLXNHVAHMX-OAHLLOKOSA-N 2 2 324.431 3.396 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@@H]1C[NH3+] ZINC000422559472 297235114 /nfs/dbraw/zinc/23/51/14/297235114.db2.gz DDDAIYGMTQEZPU-UPJWGTAASA-N 2 2 320.868 3.032 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C[C@@H]1C[NH3+] ZINC000422559472 297235117 /nfs/dbraw/zinc/23/51/17/297235117.db2.gz DDDAIYGMTQEZPU-UPJWGTAASA-N 2 2 320.868 3.032 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1SC ZINC000361058104 434780927 /nfs/dbraw/zinc/78/09/27/434780927.db2.gz IJMHOFCPHHUSCF-TZMCWYRMSA-N 2 2 306.475 3.304 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1SC ZINC000361058104 434780934 /nfs/dbraw/zinc/78/09/34/434780934.db2.gz IJMHOFCPHHUSCF-TZMCWYRMSA-N 2 2 306.475 3.304 20 0 DGADLP C[C@H](CCCc1cccnc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000453072666 434790280 /nfs/dbraw/zinc/79/02/80/434790280.db2.gz FOEODBSFIXUEMU-MRXNPFEDSA-N 2 2 312.461 3.158 20 0 DGADLP CC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccncc1 ZINC000453067335 434791146 /nfs/dbraw/zinc/79/11/46/434791146.db2.gz AHDXFZZRGHYDNE-QGZVFWFLSA-N 2 2 319.518 3.484 20 0 DGADLP C[N@H+](CCC1CCOCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445354182 434796214 /nfs/dbraw/zinc/79/62/14/434796214.db2.gz XRUHYZWFBIRMGQ-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP C[N@@H+](CCC1CCOCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445354182 434796219 /nfs/dbraw/zinc/79/62/19/434796219.db2.gz XRUHYZWFBIRMGQ-UHFFFAOYSA-N 2 2 322.415 3.152 20 0 DGADLP CCC1(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCCCC1 ZINC000361136303 434808487 /nfs/dbraw/zinc/80/84/87/434808487.db2.gz NLPNIERNJPEVLA-UHFFFAOYSA-N 2 2 324.509 3.354 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000453134401 434811474 /nfs/dbraw/zinc/81/14/74/434811474.db2.gz RVNKYAXBSJQTAD-QZWWFDLISA-N 2 2 304.482 3.379 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1C ZINC000453253681 434842274 /nfs/dbraw/zinc/84/22/74/434842274.db2.gz CWKKRRXRQKCUPK-ZWKOTPCHSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1C ZINC000453253681 434842278 /nfs/dbraw/zinc/84/22/78/434842278.db2.gz CWKKRRXRQKCUPK-ZWKOTPCHSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC000453262756 434843084 /nfs/dbraw/zinc/84/30/84/434843084.db2.gz STZOTGCRZZDBFD-MSOLQXFVSA-N 2 2 304.478 3.109 20 0 DGADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC000453262756 434843086 /nfs/dbraw/zinc/84/30/86/434843086.db2.gz STZOTGCRZZDBFD-MSOLQXFVSA-N 2 2 304.478 3.109 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453265772 434845428 /nfs/dbraw/zinc/84/54/28/434845428.db2.gz WTSNIEFSPYGILV-APWZRJJASA-N 2 2 304.478 3.307 20 0 DGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453265772 434845432 /nfs/dbraw/zinc/84/54/32/434845432.db2.gz WTSNIEFSPYGILV-APWZRJJASA-N 2 2 304.478 3.307 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453272819 434845939 /nfs/dbraw/zinc/84/59/39/434845939.db2.gz VIPKMKTZRJTFSV-RDJZCZTQSA-N 2 2 322.518 3.296 20 0 DGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453272819 434845943 /nfs/dbraw/zinc/84/59/43/434845943.db2.gz VIPKMKTZRJTFSV-RDJZCZTQSA-N 2 2 322.518 3.296 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000453269760 434846270 /nfs/dbraw/zinc/84/62/70/434846270.db2.gz RSSYNLPLPZMGGU-RDTXWAMCSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000453269760 434846274 /nfs/dbraw/zinc/84/62/74/434846274.db2.gz RSSYNLPLPZMGGU-RDTXWAMCSA-N 2 2 322.880 3.154 20 0 DGADLP CC[NH2+]Cc1ccccc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000637808435 434885921 /nfs/dbraw/zinc/88/59/21/434885921.db2.gz GBOHHQADVQHXSG-KRWDZBQOSA-N 2 2 314.433 3.219 20 0 DGADLP CC(C)C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)n1cc[nH+]c1 ZINC000637857882 434893708 /nfs/dbraw/zinc/89/37/08/434893708.db2.gz UOERPGURAYCGMW-XJKSGUPXSA-N 2 2 300.406 3.129 20 0 DGADLP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000573448641 434900600 /nfs/dbraw/zinc/90/06/00/434900600.db2.gz HRCMTNXIEYZMNB-HNNXBMFYSA-N 2 2 314.433 3.315 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000554072871 434912316 /nfs/dbraw/zinc/91/23/16/434912316.db2.gz UVFDSMZMOOLICH-SWLSCSKDSA-N 2 2 314.832 3.098 20 0 DGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000554072871 434912319 /nfs/dbraw/zinc/91/23/19/434912319.db2.gz UVFDSMZMOOLICH-SWLSCSKDSA-N 2 2 314.832 3.098 20 0 DGADLP FC(F)(F)C1CC([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000554116637 434913398 /nfs/dbraw/zinc/91/33/98/434913398.db2.gz UUBZSTCREOWNDD-PCKAHOCUSA-N 2 2 312.379 3.234 20 0 DGADLP FC(F)(F)C1CC([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000554116637 434913400 /nfs/dbraw/zinc/91/34/00/434913400.db2.gz UUBZSTCREOWNDD-PCKAHOCUSA-N 2 2 312.379 3.234 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCOC2CCCCC2)CC1 ZINC000463115941 434943855 /nfs/dbraw/zinc/94/38/55/434943855.db2.gz OIDMDJSEJYJFQY-UHFFFAOYSA-N 2 2 322.415 3.342 20 0 DGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000638122631 434957886 /nfs/dbraw/zinc/95/78/86/434957886.db2.gz NQIJSOJEFFGBSE-OALUTQOASA-N 2 2 324.472 3.078 20 0 DGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000638122631 434957887 /nfs/dbraw/zinc/95/78/87/434957887.db2.gz NQIJSOJEFFGBSE-OALUTQOASA-N 2 2 324.472 3.078 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000638149739 434963866 /nfs/dbraw/zinc/96/38/66/434963866.db2.gz OROKWOXVIBCYIU-MRXNPFEDSA-N 2 2 322.412 3.110 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000638149739 434963870 /nfs/dbraw/zinc/96/38/70/434963870.db2.gz OROKWOXVIBCYIU-MRXNPFEDSA-N 2 2 322.412 3.110 20 0 DGADLP CCCOc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000573741273 434922321 /nfs/dbraw/zinc/92/23/21/434922321.db2.gz NKVHJGNITZSCNE-DLBZAZTESA-N 2 2 318.461 3.023 20 0 DGADLP CCCOc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000573741273 434922324 /nfs/dbraw/zinc/92/23/24/434922324.db2.gz NKVHJGNITZSCNE-DLBZAZTESA-N 2 2 318.461 3.023 20 0 DGADLP CCCOc1ccc(OCC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000573741273 434922327 /nfs/dbraw/zinc/92/23/27/434922327.db2.gz NKVHJGNITZSCNE-DLBZAZTESA-N 2 2 318.461 3.023 20 0 DGADLP CCCOc1ccc(OCC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC000573741273 434922330 /nfs/dbraw/zinc/92/23/30/434922330.db2.gz NKVHJGNITZSCNE-DLBZAZTESA-N 2 2 318.461 3.023 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841913 434933566 /nfs/dbraw/zinc/93/35/66/434933566.db2.gz PXAJNNHSRBACKV-QXAKKESOSA-N 2 2 304.478 3.302 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841913 434933570 /nfs/dbraw/zinc/93/35/70/434933570.db2.gz PXAJNNHSRBACKV-QXAKKESOSA-N 2 2 304.478 3.302 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462839909 434933809 /nfs/dbraw/zinc/93/38/09/434933809.db2.gz OZSMIVXXVTYVHV-NZSAHSFTSA-N 2 2 304.478 3.158 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462839909 434933813 /nfs/dbraw/zinc/93/38/13/434933813.db2.gz OZSMIVXXVTYVHV-NZSAHSFTSA-N 2 2 304.478 3.158 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882357 434934408 /nfs/dbraw/zinc/93/44/08/434934408.db2.gz GKLXVXPXSBGWKG-HVVGXNIASA-N 2 2 306.400 3.283 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882357 434934412 /nfs/dbraw/zinc/93/44/12/434934412.db2.gz GKLXVXPXSBGWKG-HVVGXNIASA-N 2 2 306.400 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882358 434934472 /nfs/dbraw/zinc/93/44/72/434934472.db2.gz GKLXVXPXSBGWKG-RXBLZQKPSA-N 2 2 306.400 3.283 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000573882358 434934473 /nfs/dbraw/zinc/93/44/73/434934473.db2.gz GKLXVXPXSBGWKG-RXBLZQKPSA-N 2 2 306.400 3.283 20 0 DGADLP C([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCSCC1 ZINC000638361170 435013680 /nfs/dbraw/zinc/01/36/80/435013680.db2.gz YOLMTMHVHXUSRW-UHFFFAOYSA-N 2 2 314.564 3.081 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000556606044 435014750 /nfs/dbraw/zinc/01/47/50/435014750.db2.gz QIXYSVRUQRPWQM-SFHVURJKSA-N 2 2 311.429 3.395 20 0 DGADLP CO[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCCC1 ZINC000638441357 435029970 /nfs/dbraw/zinc/02/99/70/435029970.db2.gz FVNAGTXRULXKPK-KRWDZBQOSA-N 2 2 301.434 3.290 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1CC(n2cccn2)C1)c1ccccc1 ZINC000638288119 434998035 /nfs/dbraw/zinc/99/80/35/434998035.db2.gz ZRJCMFQEMFRPAJ-CTWPCTMYSA-N 2 2 312.461 3.259 20 0 DGADLP CCOC1CC(C[NH2+]C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000638288439 434998575 /nfs/dbraw/zinc/99/85/75/434998575.db2.gz QILQPPYXCYQRMK-NKELODKYSA-N 2 2 304.478 3.256 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cc(C3CC3)no2)c[nH+]1 ZINC000638340917 435008528 /nfs/dbraw/zinc/00/85/28/435008528.db2.gz FQOYKYMCUDSSII-UHFFFAOYSA-N 2 2 308.385 3.087 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361035 435011989 /nfs/dbraw/zinc/01/19/89/435011989.db2.gz ZLVNWANADNWCAG-IMFGXOCKSA-N 3 2 324.472 3.229 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638361035 435011995 /nfs/dbraw/zinc/01/19/95/435011995.db2.gz ZLVNWANADNWCAG-IMFGXOCKSA-N 3 2 324.472 3.229 20 0 DGADLP CC(C)n1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000557695637 435063851 /nfs/dbraw/zinc/06/38/51/435063851.db2.gz XDOFBDDRGXSXAS-PKOBYXMFSA-N 2 2 312.461 3.389 20 0 DGADLP CC(C)n1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000557695637 435063854 /nfs/dbraw/zinc/06/38/54/435063854.db2.gz XDOFBDDRGXSXAS-PKOBYXMFSA-N 2 2 312.461 3.389 20 0 DGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000531191465 435077306 /nfs/dbraw/zinc/07/73/06/435077306.db2.gz XLVMKFPPWOBSAL-AEFFLSMTSA-N 2 2 314.477 3.325 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@@H+]1C1CC1 ZINC000638759963 435084172 /nfs/dbraw/zinc/08/41/72/435084172.db2.gz OLARZOKRAMKSCH-CABZTGNLSA-N 2 2 314.260 3.290 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C[N@H+]1C1CC1 ZINC000638759963 435084174 /nfs/dbraw/zinc/08/41/74/435084174.db2.gz OLARZOKRAMKSCH-CABZTGNLSA-N 2 2 314.260 3.290 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000578494422 435087803 /nfs/dbraw/zinc/08/78/03/435087803.db2.gz SCJJGSDXPQNZPB-GWFLUQINSA-N 2 2 302.462 3.195 20 0 DGADLP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000578494422 435087804 /nfs/dbraw/zinc/08/78/04/435087804.db2.gz SCJJGSDXPQNZPB-GWFLUQINSA-N 2 2 302.462 3.195 20 0 DGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccns2)c(C)c1 ZINC000638779689 435088460 /nfs/dbraw/zinc/08/84/60/435088460.db2.gz LTZVZBDAAQXGAK-QGZVFWFLSA-N 2 2 312.442 3.488 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638788468 435090008 /nfs/dbraw/zinc/09/00/08/435090008.db2.gz KLRXEGHCEUBFAQ-KEYYUXOJSA-N 2 2 305.491 3.091 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564045 435052371 /nfs/dbraw/zinc/05/23/71/435052371.db2.gz GJZFVZHSIYOVKH-PBHICJAKSA-N 2 2 313.420 3.333 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000638564045 435052372 /nfs/dbraw/zinc/05/23/72/435052372.db2.gz GJZFVZHSIYOVKH-PBHICJAKSA-N 2 2 313.420 3.333 20 0 DGADLP CO[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)CC(C)C ZINC000638788392 435090432 /nfs/dbraw/zinc/09/04/32/435090432.db2.gz JDEPAQOOGPFIBL-QFBILLFUSA-N 2 2 319.493 3.258 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000532203561 435148686 /nfs/dbraw/zinc/14/86/86/435148686.db2.gz DKDCISKHZKZDLG-ROUUACIJSA-N 2 2 304.478 3.311 20 0 DGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000532203561 435148690 /nfs/dbraw/zinc/14/86/90/435148690.db2.gz DKDCISKHZKZDLG-ROUUACIJSA-N 2 2 304.478 3.311 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000558471940 435092558 /nfs/dbraw/zinc/09/25/58/435092558.db2.gz AMTYLDADLQQTHP-FFZOFVMBSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CCOCC1 ZINC000558471940 435092564 /nfs/dbraw/zinc/09/25/64/435092564.db2.gz AMTYLDADLQQTHP-FFZOFVMBSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000578648681 435100476 /nfs/dbraw/zinc/10/04/76/435100476.db2.gz ATEUJIVEPVRWLY-XJKSGUPXSA-N 2 2 311.385 3.119 20 0 DGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc(F)c1N)[NH+](C)C ZINC000639089352 435149424 /nfs/dbraw/zinc/14/94/24/435149424.db2.gz BPOGSUSHSZZTER-LIRRHRJNSA-N 2 2 315.436 3.497 20 0 DGADLP Cc1cccc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1C ZINC000531869169 435123186 /nfs/dbraw/zinc/12/31/86/435123186.db2.gz ZXFKTMPTZGOYRX-LJQANCHMSA-N 2 2 315.505 3.300 20 0 DGADLP Cc1cccc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000531869169 435123188 /nfs/dbraw/zinc/12/31/88/435123188.db2.gz ZXFKTMPTZGOYRX-LJQANCHMSA-N 2 2 315.505 3.300 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468384046 435126990 /nfs/dbraw/zinc/12/69/90/435126990.db2.gz MGJALYOAOWIRRK-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468384046 435126996 /nfs/dbraw/zinc/12/69/96/435126996.db2.gz MGJALYOAOWIRRK-HKUYNNGSSA-N 2 2 316.489 3.182 20 0 DGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312618 435127306 /nfs/dbraw/zinc/12/73/06/435127306.db2.gz YQKNQEHVWMTBIV-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312618 435127310 /nfs/dbraw/zinc/12/73/10/435127310.db2.gz YQKNQEHVWMTBIV-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312618 435127312 /nfs/dbraw/zinc/12/73/12/435127312.db2.gz YQKNQEHVWMTBIV-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000559312618 435127314 /nfs/dbraw/zinc/12/73/14/435127314.db2.gz YQKNQEHVWMTBIV-FQEVSTJZSA-N 2 2 322.456 3.061 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531950279 435128435 /nfs/dbraw/zinc/12/84/35/435128435.db2.gz DCHCPJMZSHIKKT-RYRKJORJSA-N 2 2 302.462 3.143 20 0 DGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531950279 435128438 /nfs/dbraw/zinc/12/84/38/435128438.db2.gz DCHCPJMZSHIKKT-RYRKJORJSA-N 2 2 302.462 3.143 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000471801899 435138374 /nfs/dbraw/zinc/13/83/74/435138374.db2.gz YQEAIRCEMFIVNN-WMZOPIPTSA-N 2 2 304.478 3.353 20 0 DGADLP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000471801899 435138377 /nfs/dbraw/zinc/13/83/77/435138377.db2.gz YQEAIRCEMFIVNN-WMZOPIPTSA-N 2 2 304.478 3.353 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)/C=C/c3[nH]cc[nH+]3)c2C1 ZINC000493291324 435144093 /nfs/dbraw/zinc/14/40/93/435144093.db2.gz ATPPAKCRHDNVGB-VOTSOKGWSA-N 2 2 310.401 3.033 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)/C=C/c3[nH]cc[nH+]3)c2C1 ZINC000493291324 435144098 /nfs/dbraw/zinc/14/40/98/435144098.db2.gz ATPPAKCRHDNVGB-VOTSOKGWSA-N 2 2 310.401 3.033 20 0 DGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc(CO)cc1)[NH+](C)C ZINC000639091890 435150655 /nfs/dbraw/zinc/15/06/55/435150655.db2.gz SKVSGIGSNPYANB-OXQOHEQNSA-N 2 2 312.457 3.268 20 0 DGADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)sn1 ZINC000639175157 435184336 /nfs/dbraw/zinc/18/43/36/435184336.db2.gz HOFPCKZDIOFAKU-UHFFFAOYSA-N 2 2 304.463 3.340 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600709 435189277 /nfs/dbraw/zinc/18/92/77/435189277.db2.gz DHXMRBKRJYEEPP-CLTVBZQCSA-N 2 2 304.400 3.427 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000493600709 435189282 /nfs/dbraw/zinc/18/92/82/435189282.db2.gz DHXMRBKRJYEEPP-CLTVBZQCSA-N 2 2 304.400 3.427 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3ccccc3OC1)CCC2 ZINC000493770977 435190961 /nfs/dbraw/zinc/19/09/61/435190961.db2.gz XKLZQDQTEIXPGC-SJORKVTESA-N 2 2 311.429 3.052 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000639188128 435191339 /nfs/dbraw/zinc/19/13/39/435191339.db2.gz QPSIBJIZYYXTSF-GWFLUQINSA-N 2 2 302.462 3.054 20 0 DGADLP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000639188128 435191342 /nfs/dbraw/zinc/19/13/42/435191342.db2.gz QPSIBJIZYYXTSF-GWFLUQINSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000475507139 435201307 /nfs/dbraw/zinc/20/13/07/435201307.db2.gz KGNKDMZEVPCQDK-AWEZNQCLSA-N 2 2 312.379 3.488 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000475507139 435201309 /nfs/dbraw/zinc/20/13/09/435201309.db2.gz KGNKDMZEVPCQDK-AWEZNQCLSA-N 2 2 312.379 3.488 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988283 435202885 /nfs/dbraw/zinc/20/28/85/435202885.db2.gz WGKCCEGZLNQVEG-APWZRJJASA-N 2 2 324.472 3.448 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988283 435202888 /nfs/dbraw/zinc/20/28/88/435202888.db2.gz WGKCCEGZLNQVEG-APWZRJJASA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988283 435202890 /nfs/dbraw/zinc/20/28/90/435202890.db2.gz WGKCCEGZLNQVEG-APWZRJJASA-N 2 2 324.472 3.448 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)nc2)C[C@H]1C ZINC000532988283 435202894 /nfs/dbraw/zinc/20/28/94/435202894.db2.gz WGKCCEGZLNQVEG-APWZRJJASA-N 2 2 324.472 3.448 20 0 DGADLP Cc1nocc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639227394 435204590 /nfs/dbraw/zinc/20/45/90/435204590.db2.gz MDWLBVBZXPDOCQ-MJGOQNOKSA-N 2 2 311.429 3.441 20 0 DGADLP c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)sn1 ZINC000639115080 435160675 /nfs/dbraw/zinc/16/06/75/435160675.db2.gz SFRWWZJBRQYDKE-UHFFFAOYSA-N 2 2 302.447 3.056 20 0 DGADLP CC(C)[C@@H](C[NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000474802826 435162267 /nfs/dbraw/zinc/16/22/67/435162267.db2.gz UCQQPMVEEVRDHO-QZTJIDSGSA-N 2 2 306.519 3.453 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CS1 ZINC000639119360 435162629 /nfs/dbraw/zinc/16/26/29/435162629.db2.gz AKHYHFAKZVMQGN-LZHSZURSSA-N 2 2 322.440 3.275 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1OC ZINC000474866690 435163063 /nfs/dbraw/zinc/16/30/63/435163063.db2.gz DUJDRJOJSVIOMA-CVEARBPZSA-N 2 2 320.477 3.271 20 0 DGADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC000639121698 435164405 /nfs/dbraw/zinc/16/44/05/435164405.db2.gz VNYABLCFQQHNAN-YVAUXAOKSA-N 2 2 316.411 3.427 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)(C)C)c2cc1C ZINC000532491377 435170227 /nfs/dbraw/zinc/17/02/27/435170227.db2.gz ZCQSMTITEMJGHD-CVEARBPZSA-N 2 2 317.477 3.380 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)C)c2cc1C ZINC000532491377 435170230 /nfs/dbraw/zinc/17/02/30/435170230.db2.gz ZCQSMTITEMJGHD-CVEARBPZSA-N 2 2 317.477 3.380 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507081 435171862 /nfs/dbraw/zinc/17/18/62/435171862.db2.gz VOBXZKPRVAYGCZ-QFBILLFUSA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507081 435171865 /nfs/dbraw/zinc/17/18/65/435171865.db2.gz VOBXZKPRVAYGCZ-QFBILLFUSA-N 2 2 304.478 3.302 20 0 DGADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000579671298 435173670 /nfs/dbraw/zinc/17/36/70/435173670.db2.gz XTAZKQGJSPICPS-SFHVURJKSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000579671298 435173675 /nfs/dbraw/zinc/17/36/75/435173675.db2.gz XTAZKQGJSPICPS-SFHVURJKSA-N 2 2 306.494 3.332 20 0 DGADLP c1c[nH+]c(C2CCN(c3[nH+]cnc4[nH]c5ccccc5c43)CC2)[nH]1 ZINC000579673952 435173961 /nfs/dbraw/zinc/17/39/61/435173961.db2.gz CSDAGJCLWFGQAP-UHFFFAOYSA-N 2 2 318.384 3.218 20 0 DGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C12CCC2 ZINC000639149873 435174191 /nfs/dbraw/zinc/17/41/91/435174191.db2.gz VMKFXFRSCPCMIU-JKSUJKDBSA-N 2 2 317.477 3.435 20 0 DGADLP Cc1cc(C)c([C@H](C)[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000533281283 435224475 /nfs/dbraw/zinc/22/44/75/435224475.db2.gz PIHPRHKZIJYMFY-KRWDZBQOSA-N 2 2 312.461 3.214 20 0 DGADLP C[C@@]1([NH2+]Cc2cccc(F)c2N)CC[N@H+](Cc2ccccc2)C1 ZINC000639294020 435233853 /nfs/dbraw/zinc/23/38/53/435233853.db2.gz CXHMQQXYEWPQIZ-LJQANCHMSA-N 2 2 313.420 3.162 20 0 DGADLP C[C@@]1([NH2+]Cc2cccc(F)c2N)CC[N@@H+](Cc2ccccc2)C1 ZINC000639294020 435233856 /nfs/dbraw/zinc/23/38/56/435233856.db2.gz CXHMQQXYEWPQIZ-LJQANCHMSA-N 2 2 313.420 3.162 20 0 DGADLP c1cn(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c[nH+]1 ZINC000533484184 435239968 /nfs/dbraw/zinc/23/99/68/435239968.db2.gz DKBUTBQXRXACTE-UHFFFAOYSA-N 2 2 319.412 3.177 20 0 DGADLP Cc1ccc2oc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)cc2c1 ZINC000639315705 435241964 /nfs/dbraw/zinc/24/19/64/435241964.db2.gz DLSASBUEMRETSK-UHFFFAOYSA-N 2 2 316.445 3.066 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3COc4c(C)cccc4C3)n2c1 ZINC000562080065 435250467 /nfs/dbraw/zinc/25/04/67/435250467.db2.gz UCHDTZGIVIGJDG-MRXNPFEDSA-N 2 2 307.397 3.044 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000639351867 435259057 /nfs/dbraw/zinc/25/90/57/435259057.db2.gz LBNCEEWIYGOSCL-FXAWDEMLSA-N 2 2 313.489 3.119 20 0 DGADLP c1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC000639351867 435259059 /nfs/dbraw/zinc/25/90/59/435259059.db2.gz LBNCEEWIYGOSCL-FXAWDEMLSA-N 2 2 313.489 3.119 20 0 DGADLP CSc1ccc(OCC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000533867101 435259792 /nfs/dbraw/zinc/25/97/92/435259792.db2.gz QQBZYDWLUQOJQZ-CQSZACIVSA-N 2 2 317.458 3.010 20 0 DGADLP CSc1ccc(OCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000533867101 435259797 /nfs/dbraw/zinc/25/97/97/435259797.db2.gz QQBZYDWLUQOJQZ-CQSZACIVSA-N 2 2 317.458 3.010 20 0 DGADLP c1ccc2cc(OCCC[N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065889 435265018 /nfs/dbraw/zinc/26/50/18/435265018.db2.gz HOBSGZJHDRQDSO-FXAWDEMLSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2cc(OCCC[N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065889 435265020 /nfs/dbraw/zinc/26/50/20/435265020.db2.gz HOBSGZJHDRQDSO-FXAWDEMLSA-N 2 2 310.441 3.293 20 0 DGADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000534127600 435268531 /nfs/dbraw/zinc/26/85/31/435268531.db2.gz BLUKGDLTLDIFOR-CYBMUJFWSA-N 2 2 315.421 3.226 20 0 DGADLP COc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1OC ZINC000639374882 435270910 /nfs/dbraw/zinc/27/09/10/435270910.db2.gz MGTFJINDRZRNRB-UHFFFAOYSA-N 2 2 318.461 3.154 20 0 DGADLP c1[nH+]c2ccccn2c1C[NH+]1CCC2(CCSCC2)CC1 ZINC000639374184 435271598 /nfs/dbraw/zinc/27/15/98/435271598.db2.gz CDUUUBADRMCNIL-UHFFFAOYSA-N 2 2 301.459 3.444 20 0 DGADLP CCOc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)ccc1O ZINC000639375007 435272471 /nfs/dbraw/zinc/27/24/71/435272471.db2.gz ORXWMJSSGZOEFP-UHFFFAOYSA-N 2 2 318.461 3.241 20 0 DGADLP Cn1cnc2cc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)ccc21 ZINC000639374102 435272618 /nfs/dbraw/zinc/27/26/18/435272618.db2.gz ANAVOAICDCQXBC-UHFFFAOYSA-N 2 2 312.461 3.024 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648377001 435279584 /nfs/dbraw/zinc/27/95/84/435279584.db2.gz VPFYGGXXPUEUPN-RISCZKNCSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648377001 435279588 /nfs/dbraw/zinc/27/95/88/435279588.db2.gz VPFYGGXXPUEUPN-RISCZKNCSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648377001 435279591 /nfs/dbraw/zinc/27/95/91/435279591.db2.gz VPFYGGXXPUEUPN-RISCZKNCSA-N 2 2 307.825 3.396 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3cc(Cl)cnc3o2)CC[NH+]1C ZINC000648377001 435279597 /nfs/dbraw/zinc/27/95/97/435279597.db2.gz VPFYGGXXPUEUPN-RISCZKNCSA-N 2 2 307.825 3.396 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000584180367 435282423 /nfs/dbraw/zinc/28/24/23/435282423.db2.gz KUQBFTIUFCMEKU-CYBMUJFWSA-N 2 2 305.422 3.141 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000584180367 435282426 /nfs/dbraw/zinc/28/24/26/435282426.db2.gz KUQBFTIUFCMEKU-CYBMUJFWSA-N 2 2 305.422 3.141 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[N@@H+](C)C3CCCCC3)cn2c1 ZINC000584187063 435283288 /nfs/dbraw/zinc/28/32/88/435283288.db2.gz LPVJLPQFDUUMSK-UHFFFAOYSA-N 2 2 314.477 3.387 20 0 DGADLP Cc1ccc2nc(C[NH2+]CCC[N@H+](C)C3CCCCC3)cn2c1 ZINC000584187063 435283292 /nfs/dbraw/zinc/28/32/92/435283292.db2.gz LPVJLPQFDUUMSK-UHFFFAOYSA-N 2 2 314.477 3.387 20 0 DGADLP CC[C@@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000648404887 435289064 /nfs/dbraw/zinc/28/90/64/435289064.db2.gz YKHRFFYQYVLJDU-JKSUJKDBSA-N 2 2 301.434 3.282 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000648429269 435296370 /nfs/dbraw/zinc/29/63/70/435296370.db2.gz FKCIMWGSZRZESI-QWHZDKJVSA-N 2 2 320.452 3.336 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000534798594 435300972 /nfs/dbraw/zinc/30/09/72/435300972.db2.gz NLRJPZQRFOYSPH-TVFCKZIOSA-N 2 2 306.494 3.188 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000534798594 435300979 /nfs/dbraw/zinc/30/09/79/435300979.db2.gz NLRJPZQRFOYSPH-TVFCKZIOSA-N 2 2 306.494 3.188 20 0 DGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2c(c1)COCC2 ZINC000639455148 435303050 /nfs/dbraw/zinc/30/30/50/435303050.db2.gz XWGZVHVQWRKLFI-UHFFFAOYSA-N 2 2 314.473 3.210 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@H](C)O1 ZINC000648462571 435307966 /nfs/dbraw/zinc/30/79/66/435307966.db2.gz NKIBNDCUKBKCCF-CYGHRXIMSA-N 2 2 313.445 3.250 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C[C@H](C)O1 ZINC000648462574 435308353 /nfs/dbraw/zinc/30/83/53/435308353.db2.gz NKIBNDCUKBKCCF-MXSMSXNCSA-N 2 2 313.445 3.250 20 0 DGADLP CC(C)c1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000643025405 435260721 /nfs/dbraw/zinc/26/07/21/435260721.db2.gz LFAAIECDHLMQGI-KKUMJFAQSA-N 2 2 302.466 3.287 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000643032342 435262422 /nfs/dbraw/zinc/26/24/22/435262422.db2.gz AZFHCVKVHXBVTO-KBPBESRZSA-N 2 2 316.493 3.260 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000599585193 435324008 /nfs/dbraw/zinc/32/40/08/435324008.db2.gz OHVCXRARKGFTOJ-KRWDZBQOSA-N 2 2 322.456 3.678 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000599585193 435324012 /nfs/dbraw/zinc/32/40/12/435324012.db2.gz OHVCXRARKGFTOJ-KRWDZBQOSA-N 2 2 322.456 3.678 20 0 DGADLP Cc1cc(C)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000639511060 435326264 /nfs/dbraw/zinc/32/62/64/435326264.db2.gz IILAILKDGBSYCC-FQEVSTJZSA-N 2 2 310.441 3.489 20 0 DGADLP Cc1cc(C)c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC000639511060 435326267 /nfs/dbraw/zinc/32/62/67/435326267.db2.gz IILAILKDGBSYCC-FQEVSTJZSA-N 2 2 310.441 3.489 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457525 435330436 /nfs/dbraw/zinc/33/04/36/435330436.db2.gz IOWQDXREONGORS-VAMGGRTRSA-N 3 2 315.505 3.148 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457525 435330440 /nfs/dbraw/zinc/33/04/40/435330440.db2.gz IOWQDXREONGORS-VAMGGRTRSA-N 3 2 315.505 3.148 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643464311 435330593 /nfs/dbraw/zinc/33/05/93/435330593.db2.gz AVHMRMPCVDXMJU-UHOSZYNNSA-N 3 2 307.526 3.009 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643464311 435330599 /nfs/dbraw/zinc/33/05/99/435330599.db2.gz AVHMRMPCVDXMJU-UHOSZYNNSA-N 3 2 307.526 3.009 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CCO2 ZINC000643482517 435334744 /nfs/dbraw/zinc/33/47/44/435334744.db2.gz VVTASEXZSBFPFJ-XKQJLSEDSA-N 2 2 304.434 3.029 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc3c2CCOC3)C[C@H]1n1cc[nH+]c1 ZINC000639541830 435336686 /nfs/dbraw/zinc/33/66/86/435336686.db2.gz CBNIVYFLFCVZFS-DNVCBOLYSA-N 2 2 311.429 3.039 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1n1cc[nH+]c1 ZINC000639541830 435336691 /nfs/dbraw/zinc/33/66/91/435336691.db2.gz CBNIVYFLFCVZFS-DNVCBOLYSA-N 2 2 311.429 3.039 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCS2 ZINC000643502411 435338202 /nfs/dbraw/zinc/33/82/02/435338202.db2.gz FPVLGYSZJOVMFU-CZUORRHYSA-N 2 2 306.475 3.354 20 0 DGADLP Cc1[nH]c(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)[nH+]c1C ZINC000639545744 435338911 /nfs/dbraw/zinc/33/89/11/435338911.db2.gz ADAGHFOOIDPQJJ-HNNXBMFYSA-N 2 2 316.424 3.044 20 0 DGADLP C[N@H+](Cc1ccns1)[C@H]1CCC[NH+](Cc2ccns2)CC1 ZINC000639546972 435339487 /nfs/dbraw/zinc/33/94/87/435339487.db2.gz NXXUZZZETROEAP-ZDUSSCGKSA-N 2 2 322.503 3.086 20 0 DGADLP C[N@@H+](Cc1ccns1)[C@H]1CCC[NH+](Cc2ccns2)CC1 ZINC000639546972 435339488 /nfs/dbraw/zinc/33/94/88/435339488.db2.gz NXXUZZZETROEAP-ZDUSSCGKSA-N 2 2 322.503 3.086 20 0 DGADLP C[NH+](Cc1ccns1)[C@H]1CCC[N@@H+](Cc2ccns2)CC1 ZINC000639546972 435339492 /nfs/dbraw/zinc/33/94/92/435339492.db2.gz NXXUZZZETROEAP-ZDUSSCGKSA-N 2 2 322.503 3.086 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501513 435339542 /nfs/dbraw/zinc/33/95/42/435339542.db2.gz JIXFCUABBVXULM-DOMZBBRYSA-N 2 2 316.474 3.306 20 0 DGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CCCC[NH2+]1)CCC2 ZINC000643501783 435340060 /nfs/dbraw/zinc/34/00/60/435340060.db2.gz PVCUCHLVILPJHE-AEFFLSMTSA-N 2 2 300.446 3.121 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501515 435340148 /nfs/dbraw/zinc/34/01/48/435340148.db2.gz JIXFCUABBVXULM-SWLSCSKDSA-N 2 2 316.474 3.306 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C(c1ccccc1)c1ccccc1 ZINC000643537570 435346034 /nfs/dbraw/zinc/34/60/34/435346034.db2.gz LUUIRUGVTIRLOL-MNEFBYGVSA-N 2 2 312.432 3.497 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCCO2 ZINC000643537221 435346931 /nfs/dbraw/zinc/34/69/31/435346931.db2.gz BHTAVRRKXYSKCW-ZOBUZTSGSA-N 2 2 306.425 3.313 20 0 DGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)oc21 ZINC000643537887 435347570 /nfs/dbraw/zinc/34/75/70/435347570.db2.gz TYGFETYMQSGRMI-XBFCOCLRSA-N 2 2 306.381 3.182 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000639566832 435349153 /nfs/dbraw/zinc/34/91/53/435349153.db2.gz LMXWCPJMKYIEAN-INIZCTEOSA-N 2 2 322.412 3.373 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ncc(-c2ccccc2)n1C ZINC000643547548 435350579 /nfs/dbraw/zinc/35/05/79/435350579.db2.gz GUMKFGZCESWGPL-DOTOQJQBSA-N 2 2 324.472 3.412 20 0 DGADLP CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000567795143 435355231 /nfs/dbraw/zinc/35/52/31/435355231.db2.gz YGEMZIRCOXTDGZ-UHFFFAOYSA-N 2 2 323.400 3.004 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000480010666 435360003 /nfs/dbraw/zinc/36/00/03/435360003.db2.gz DXSQGKPYDCCCNH-POZUXBRTSA-N 2 2 320.452 3.005 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000480010666 435360008 /nfs/dbraw/zinc/36/00/08/435360008.db2.gz DXSQGKPYDCCCNH-POZUXBRTSA-N 2 2 320.452 3.005 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@H](C(C)(C)C)C3)c[nH+]c12 ZINC000480002234 435361096 /nfs/dbraw/zinc/36/10/96/435361096.db2.gz PQACBDZZTMGPRY-ZBFHGGJFSA-N 2 2 301.434 3.326 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000512496729 435361654 /nfs/dbraw/zinc/36/16/54/435361654.db2.gz NEOXATYIYYEPAO-WFASDCNBSA-N 2 2 324.415 3.337 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000512496729 435361658 /nfs/dbraw/zinc/36/16/58/435361658.db2.gz NEOXATYIYYEPAO-WFASDCNBSA-N 2 2 324.415 3.337 20 0 DGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000480050952 435362296 /nfs/dbraw/zinc/36/22/96/435362296.db2.gz YPBNRDPYCPQWPJ-QZTJIDSGSA-N 2 2 304.478 3.311 20 0 DGADLP CC(C)c1[nH+]c(CNCc2cn3c([nH+]2)CCCC3)c2ccccn21 ZINC000567358201 435310607 /nfs/dbraw/zinc/31/06/07/435310607.db2.gz GEZWCMJLXBCXHI-UHFFFAOYSA-N 2 2 323.444 3.280 20 0 DGADLP Cc1cccc(CCC[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000568176609 435401226 /nfs/dbraw/zinc/40/12/26/435401226.db2.gz AIGYUQFSDCRGIK-GOSISDBHSA-N 2 2 316.489 3.113 20 0 DGADLP Cc1cccc(CCC[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000568176609 435401230 /nfs/dbraw/zinc/40/12/30/435401230.db2.gz AIGYUQFSDCRGIK-GOSISDBHSA-N 2 2 316.489 3.113 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000568205635 435406468 /nfs/dbraw/zinc/40/64/68/435406468.db2.gz UJKINGHXWJIFAM-AWEZNQCLSA-N 2 2 314.433 3.069 20 0 DGADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000568205635 435406473 /nfs/dbraw/zinc/40/64/73/435406473.db2.gz UJKINGHXWJIFAM-AWEZNQCLSA-N 2 2 314.433 3.069 20 0 DGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000648757878 435412265 /nfs/dbraw/zinc/41/22/65/435412265.db2.gz OSFDAAYTGXSOQR-CYBMUJFWSA-N 2 2 323.400 3.425 20 0 DGADLP c1cc(C[NH+]2CCN(c3cc[nH+]c4ccncc43)CC2)cs1 ZINC000536020591 435367722 /nfs/dbraw/zinc/36/77/22/435367722.db2.gz LZJVWSMDDGTGHG-UHFFFAOYSA-N 2 2 310.426 3.014 20 0 DGADLP Cc1cc(C)c(C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c(C)[nH+]1 ZINC000639621084 435369945 /nfs/dbraw/zinc/36/99/45/435369945.db2.gz MSZPBUPEMZBSKQ-GOSISDBHSA-N 2 2 311.429 3.055 20 0 DGADLP Cc1cc(C)c(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c(C)[nH+]1 ZINC000639621084 435369949 /nfs/dbraw/zinc/36/99/49/435369949.db2.gz MSZPBUPEMZBSKQ-GOSISDBHSA-N 2 2 311.429 3.055 20 0 DGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)C(C)C)CC2)c1 ZINC000480246432 435370985 /nfs/dbraw/zinc/37/09/85/435370985.db2.gz KXJCKGQKPWZTEP-GOSISDBHSA-N 2 2 303.494 3.141 20 0 DGADLP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625943 435371027 /nfs/dbraw/zinc/37/10/27/435371027.db2.gz IESSBABPDYDLRE-DOTOQJQBSA-N 2 2 317.477 3.214 20 0 DGADLP CC1(C)CO[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000639625943 435371030 /nfs/dbraw/zinc/37/10/30/435371030.db2.gz IESSBABPDYDLRE-DOTOQJQBSA-N 2 2 317.477 3.214 20 0 DGADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(C)[nH+]1 ZINC000639624834 435371061 /nfs/dbraw/zinc/37/10/61/435371061.db2.gz WUWOTPZWQQKUNH-GJYPPUQNSA-N 2 2 318.461 3.165 20 0 DGADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(C)[nH+]1 ZINC000639624834 435371063 /nfs/dbraw/zinc/37/10/63/435371063.db2.gz WUWOTPZWQQKUNH-GJYPPUQNSA-N 2 2 318.461 3.165 20 0 DGADLP COC1(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000480399125 435376771 /nfs/dbraw/zinc/37/67/71/435376771.db2.gz XKDNULIXGFVMCK-SJLPKXTDSA-N 2 2 302.462 3.371 20 0 DGADLP COC1(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000480399125 435376776 /nfs/dbraw/zinc/37/67/76/435376776.db2.gz XKDNULIXGFVMCK-SJLPKXTDSA-N 2 2 302.462 3.371 20 0 DGADLP C[C@H]1OCC[C@@H]1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000639674914 435388873 /nfs/dbraw/zinc/38/88/73/435388873.db2.gz DGJKKTPATAJLFP-GDBMZVCRSA-N 2 2 313.445 3.242 20 0 DGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000480793401 435396551 /nfs/dbraw/zinc/39/65/51/435396551.db2.gz DUWSZRINUQPZBS-VQIMIIECSA-N 2 2 322.468 3.237 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715992 435397161 /nfs/dbraw/zinc/39/71/61/435397161.db2.gz KYPKTOBQEVQWTE-NVXWUHKLSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000648715992 435397165 /nfs/dbraw/zinc/39/71/65/435397165.db2.gz KYPKTOBQEVQWTE-NVXWUHKLSA-N 2 2 304.478 3.179 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000514911244 435447816 /nfs/dbraw/zinc/44/78/16/435447816.db2.gz ZXQFRCKXEGIIAJ-SMYFESCOSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000514911244 435447822 /nfs/dbraw/zinc/44/78/22/435447822.db2.gz ZXQFRCKXEGIIAJ-SMYFESCOSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000514911242 435449478 /nfs/dbraw/zinc/44/94/78/435449478.db2.gz ZXQFRCKXEGIIAJ-RFXPCRSYSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000514911242 435449481 /nfs/dbraw/zinc/44/94/81/435449481.db2.gz ZXQFRCKXEGIIAJ-RFXPCRSYSA-N 2 2 302.462 3.053 20 0 DGADLP C[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)[NH+]1CCC(C)CC1 ZINC000482238351 435458864 /nfs/dbraw/zinc/45/88/64/435458864.db2.gz GORCXLQMEGIGHX-KRWDZBQOSA-N 2 2 316.489 3.264 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000537970735 435477635 /nfs/dbraw/zinc/47/76/35/435477635.db2.gz JKFAMRKASUJYIK-UHIXZJCNSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000537970735 435477637 /nfs/dbraw/zinc/47/76/37/435477637.db2.gz JKFAMRKASUJYIK-UHIXZJCNSA-N 2 2 322.880 3.488 20 0 DGADLP Cc1noc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000568365127 435428616 /nfs/dbraw/zinc/42/86/16/435428616.db2.gz UUCORNCWYDINAV-AWEZNQCLSA-N 2 2 314.433 3.215 20 0 DGADLP CCCCOc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1OC ZINC000514734804 435434329 /nfs/dbraw/zinc/43/43/29/435434329.db2.gz LUQOTOAOVLWMEJ-UHFFFAOYSA-N 2 2 317.433 3.206 20 0 DGADLP CC1(F)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000640071393 435510940 /nfs/dbraw/zinc/51/09/40/435510940.db2.gz LQTOKCGEVXCFGC-SFHVURJKSA-N 2 2 320.452 3.102 20 0 DGADLP CC1(F)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000640071393 435510943 /nfs/dbraw/zinc/51/09/43/435510943.db2.gz LQTOKCGEVXCFGC-SFHVURJKSA-N 2 2 320.452 3.102 20 0 DGADLP C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000538723894 435517279 /nfs/dbraw/zinc/51/72/79/435517279.db2.gz FTEWHXORAVGMQX-QRVBRYPASA-N 2 2 321.553 3.161 20 0 DGADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000538723894 435517282 /nfs/dbraw/zinc/51/72/82/435517282.db2.gz FTEWHXORAVGMQX-QRVBRYPASA-N 2 2 321.553 3.161 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000483532432 435525550 /nfs/dbraw/zinc/52/55/50/435525550.db2.gz OKTIBAOTVQYVKN-QZTJIDSGSA-N 2 2 317.477 3.107 20 0 DGADLP CCC1([NH+](C)C)CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000640017808 435490998 /nfs/dbraw/zinc/49/09/98/435490998.db2.gz RBYSQNTYOBDLMQ-UHFFFAOYSA-N 2 2 302.462 3.374 20 0 DGADLP C[C@H](c1csnn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245898 435546798 /nfs/dbraw/zinc/54/67/98/435546798.db2.gz ZDYLXSOGRWTUPO-CQSZACIVSA-N 2 2 308.495 3.187 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cscn1 ZINC000516759996 435548983 /nfs/dbraw/zinc/54/89/83/435548983.db2.gz ILWBKMCTNIRAFI-DUVNUKRYSA-N 2 2 319.449 3.326 20 0 DGADLP c1cn([C@H]2CCCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)c[nH+]1 ZINC000649268075 435552884 /nfs/dbraw/zinc/55/28/84/435552884.db2.gz ZGYAITXUKFJWIU-ZDUSSCGKSA-N 2 2 318.384 3.149 20 0 DGADLP Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)c2ccccc2[nH+]1 ZINC000649268190 435553651 /nfs/dbraw/zinc/55/36/51/435553651.db2.gz YEYOUIKGKUFKET-UHFFFAOYSA-N 2 2 302.381 3.496 20 0 DGADLP Oc1cccc2c(NCCc3[nH]c4ccccc4[nH+]3)cc[nH+]c12 ZINC000645032434 435559852 /nfs/dbraw/zinc/55/98/52/435559852.db2.gz FQCFXJLAKXSYRG-UHFFFAOYSA-N 2 2 304.353 3.471 20 0 DGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H](c3cccs3)[NH+](C)C)c2c1C ZINC000645095378 435564743 /nfs/dbraw/zinc/56/47/43/435564743.db2.gz CWBWXZSSKWWDHZ-LBPRGKRZSA-N 2 2 315.446 3.351 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949553 435575297 /nfs/dbraw/zinc/57/52/97/435575297.db2.gz BMFVVTBTNRQOLA-SJCJKPOMSA-N 2 2 324.415 3.195 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000569949553 435575299 /nfs/dbraw/zinc/57/52/99/435575299.db2.gz BMFVVTBTNRQOLA-SJCJKPOMSA-N 2 2 324.415 3.195 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000485727524 435577125 /nfs/dbraw/zinc/57/71/25/435577125.db2.gz WHAXBHRXCCOHRI-WQVCFCJDSA-N 2 2 312.379 3.405 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000485727524 435577129 /nfs/dbraw/zinc/57/71/29/435577129.db2.gz WHAXBHRXCCOHRI-WQVCFCJDSA-N 2 2 312.379 3.405 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@@H]1[NH3+] ZINC000649416847 435583222 /nfs/dbraw/zinc/58/32/22/435583222.db2.gz NPPIQMZMEYQEDD-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CC[C@@H]1[NH3+] ZINC000649416847 435583227 /nfs/dbraw/zinc/58/32/27/435583227.db2.gz NPPIQMZMEYQEDD-WFASDCNBSA-N 2 2 303.381 3.040 20 0 DGADLP COc1ccccc1-c1nc(C[NH+]2CCC(C)([NH3+])CC2)cs1 ZINC000649416000 435583822 /nfs/dbraw/zinc/58/38/22/435583822.db2.gz HBRRRRCULRYKCG-UHFFFAOYSA-N 2 2 317.458 3.132 20 0 DGADLP Cc1[nH]c(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC000516585323 435539498 /nfs/dbraw/zinc/53/94/98/435539498.db2.gz OHGHTVXAIFLKCZ-CQSZACIVSA-N 2 2 300.450 3.027 20 0 DGADLP Cc1[nH]c(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC000516585323 435539507 /nfs/dbraw/zinc/53/95/07/435539507.db2.gz OHGHTVXAIFLKCZ-CQSZACIVSA-N 2 2 300.450 3.027 20 0 DGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000484149377 435539636 /nfs/dbraw/zinc/53/96/36/435539636.db2.gz WZWQDLQKFVOQLI-DLBZAZTESA-N 2 2 316.489 3.184 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000484124751 435540708 /nfs/dbraw/zinc/54/07/08/435540708.db2.gz FDZCVZGTGHBZSG-IOMROCGXSA-N 2 2 324.468 3.220 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CCO)c1ccccc1 ZINC000484124751 435540713 /nfs/dbraw/zinc/54/07/13/435540713.db2.gz FDZCVZGTGHBZSG-IOMROCGXSA-N 2 2 324.468 3.220 20 0 DGADLP CCc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357634 435543317 /nfs/dbraw/zinc/54/33/17/435543317.db2.gz QKVQNABEECRBTF-PMACEKPBSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357634 435543322 /nfs/dbraw/zinc/54/33/22/435543322.db2.gz QKVQNABEECRBTF-PMACEKPBSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@@H]3CCCC[N@@H+]3C)CCO2)cc1 ZINC000484357634 435543325 /nfs/dbraw/zinc/54/33/25/435543325.db2.gz QKVQNABEECRBTF-PMACEKPBSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357634 435543328 /nfs/dbraw/zinc/54/33/28/435543328.db2.gz QKVQNABEECRBTF-PMACEKPBSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@@H]2C[N@H+](CC[C@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357636 435543573 /nfs/dbraw/zinc/54/35/73/435543573.db2.gz QKVQNABEECRBTF-UXHICEINSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCCC[NH+]3C)CCO2)cc1 ZINC000484357636 435543577 /nfs/dbraw/zinc/54/35/77/435543577.db2.gz QKVQNABEECRBTF-UXHICEINSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@H]3CCCC[N@@H+]3C)CCO2)cc1 ZINC000484357636 435543583 /nfs/dbraw/zinc/54/35/83/435543583.db2.gz QKVQNABEECRBTF-UXHICEINSA-N 2 2 316.489 3.497 20 0 DGADLP CCc1ccc([C@@H]2C[NH+](CC[C@H]3CCCC[N@H+]3C)CCO2)cc1 ZINC000484357636 435543586 /nfs/dbraw/zinc/54/35/86/435543586.db2.gz QKVQNABEECRBTF-UXHICEINSA-N 2 2 316.489 3.497 20 0 DGADLP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC000569577173 435544581 /nfs/dbraw/zinc/54/45/81/435544581.db2.gz IGXSGGZENSPEEN-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C(F)(F)F)c1 ZINC000569577173 435544586 /nfs/dbraw/zinc/54/45/86/435544586.db2.gz IGXSGGZENSPEEN-OAHLLOKOSA-N 2 2 316.342 3.420 20 0 DGADLP Cc1cccc(C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000484500277 435545571 /nfs/dbraw/zinc/54/55/71/435545571.db2.gz KKAGLOLPFYWAFD-MOPGFXCFSA-N 2 2 318.530 3.343 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@@H](CC(C)C)C3)c[nH+]c12 ZINC000540734396 435616732 /nfs/dbraw/zinc/61/67/32/435616732.db2.gz KTFCQIDFXJNOLD-WBVHZDCISA-N 2 2 301.434 3.326 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000649537403 435618053 /nfs/dbraw/zinc/61/80/53/435618053.db2.gz DRHGZJXJMPLQMI-GOSISDBHSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000649537403 435618058 /nfs/dbraw/zinc/61/80/58/435618058.db2.gz DRHGZJXJMPLQMI-GOSISDBHSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000649537403 435618062 /nfs/dbraw/zinc/61/80/62/435618062.db2.gz DRHGZJXJMPLQMI-GOSISDBHSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000649546599 435621274 /nfs/dbraw/zinc/62/12/74/435621274.db2.gz UZAZYPYIFSPHSH-QGZVFWFLSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000649546599 435621278 /nfs/dbraw/zinc/62/12/78/435621278.db2.gz UZAZYPYIFSPHSH-QGZVFWFLSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000649546599 435621283 /nfs/dbraw/zinc/62/12/83/435621283.db2.gz UZAZYPYIFSPHSH-QGZVFWFLSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000649546599 435621288 /nfs/dbraw/zinc/62/12/88/435621288.db2.gz UZAZYPYIFSPHSH-QGZVFWFLSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000649546599 435621292 /nfs/dbraw/zinc/62/12/92/435621292.db2.gz UZAZYPYIFSPHSH-QGZVFWFLSA-N 2 2 317.477 3.033 20 0 DGADLP CC(C)Oc1ccnc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000649546599 435621298 /nfs/dbraw/zinc/62/12/98/435621298.db2.gz UZAZYPYIFSPHSH-QGZVFWFLSA-N 2 2 317.477 3.033 20 0 DGADLP C(=C\c1ccncc1)\C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000486933348 435622118 /nfs/dbraw/zinc/62/21/18/435622118.db2.gz IOPGEAXPACFEEI-ARJAWSKDSA-N 2 2 317.502 3.046 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000649610266 435642267 /nfs/dbraw/zinc/64/22/67/435642267.db2.gz MPWKFBTWJWMVFK-DOMZBBRYSA-N 2 2 317.260 3.101 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000649610266 435642271 /nfs/dbraw/zinc/64/22/71/435642271.db2.gz MPWKFBTWJWMVFK-DOMZBBRYSA-N 2 2 317.260 3.101 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)[C@H]1CCC[NH2+]1 ZINC000518514698 435642270 /nfs/dbraw/zinc/64/22/70/435642270.db2.gz MSURSHPAMWALDI-DNVCBOLYSA-N 2 2 314.429 3.227 20 0 DGADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765611 435642728 /nfs/dbraw/zinc/64/27/28/435642728.db2.gz STZAHOKMJZBUEW-JMSVASOKSA-N 2 2 324.266 3.011 20 0 DGADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H](C)C1 ZINC000488765611 435642731 /nfs/dbraw/zinc/64/27/31/435642731.db2.gz STZAHOKMJZBUEW-JMSVASOKSA-N 2 2 324.266 3.011 20 0 DGADLP Cc1[nH]c(CNC[C@@H](c2cccs2)[NH+]2CCCC2)[nH+]c1C ZINC000518397844 435638751 /nfs/dbraw/zinc/63/87/51/435638751.db2.gz LUHOKEYNMQMVEG-AWEZNQCLSA-N 2 2 304.463 3.015 20 0 DGADLP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155619 435672602 /nfs/dbraw/zinc/67/26/02/435672602.db2.gz DEBWUWSKOIPAJA-NSHGMRRFSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155619 435672604 /nfs/dbraw/zinc/67/26/04/435672604.db2.gz DEBWUWSKOIPAJA-NSHGMRRFSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155619 435672610 /nfs/dbraw/zinc/67/26/10/435672610.db2.gz DEBWUWSKOIPAJA-NSHGMRRFSA-N 3 2 317.521 3.217 20 0 DGADLP CC[C@H](C)[NH+](C)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155619 435672617 /nfs/dbraw/zinc/67/26/17/435672617.db2.gz DEBWUWSKOIPAJA-NSHGMRRFSA-N 3 2 317.521 3.217 20 0 DGADLP Cc1cccc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441930 435691801 /nfs/dbraw/zinc/69/18/01/435691801.db2.gz WXYPLHHOZVMMSK-FUHWJXTLSA-N 2 2 311.429 3.091 20 0 DGADLP Cc1cccc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000548441930 435691805 /nfs/dbraw/zinc/69/18/05/435691805.db2.gz WXYPLHHOZVMMSK-FUHWJXTLSA-N 2 2 311.429 3.091 20 0 DGADLP CCc1cnc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000519525571 435685717 /nfs/dbraw/zinc/68/57/17/435685717.db2.gz QICZMSWLCIGVOX-UHFFFAOYSA-N 2 2 322.412 3.107 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)CC[N@@H+](C)C3CCCCC3)cc2[nH+]1 ZINC000548392273 435688299 /nfs/dbraw/zinc/68/82/99/435688299.db2.gz ONLYBZRBIMKHCN-UHFFFAOYSA-N 2 2 314.433 3.464 20 0 DGADLP Cc1[nH]c2ccc(NC(=O)CC[N@H+](C)C3CCCCC3)cc2[nH+]1 ZINC000548392273 435688303 /nfs/dbraw/zinc/68/83/03/435688303.db2.gz ONLYBZRBIMKHCN-UHFFFAOYSA-N 2 2 314.433 3.464 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000491018964 435697280 /nfs/dbraw/zinc/69/72/80/435697280.db2.gz IZXIGMBBIHAEFF-HUUCEWRRSA-N 2 2 309.457 3.160 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000491018964 435697285 /nfs/dbraw/zinc/69/72/85/435697285.db2.gz IZXIGMBBIHAEFF-HUUCEWRRSA-N 2 2 309.457 3.160 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)CC3 ZINC000491018962 435697610 /nfs/dbraw/zinc/69/76/10/435697610.db2.gz IZXIGMBBIHAEFF-GJZGRUSLSA-N 2 2 309.457 3.160 20 0 DGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)CC3 ZINC000491018962 435697615 /nfs/dbraw/zinc/69/76/15/435697615.db2.gz IZXIGMBBIHAEFF-GJZGRUSLSA-N 2 2 309.457 3.160 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000641112872 435693422 /nfs/dbraw/zinc/69/34/22/435693422.db2.gz RZOSIZFPCQQMLZ-LJQANCHMSA-N 2 2 321.428 3.201 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651436049 435732742 /nfs/dbraw/zinc/73/27/42/435732742.db2.gz DLYVGZVXZSQVSC-KZNAEPCWSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651436049 435732748 /nfs/dbraw/zinc/73/27/48/435732748.db2.gz DLYVGZVXZSQVSC-KZNAEPCWSA-N 2 2 302.462 3.197 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000655704578 435736043 /nfs/dbraw/zinc/73/60/43/435736043.db2.gz ZSAOPVXQKMBKKZ-VQIMIIECSA-N 2 2 302.462 3.207 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000655703750 435737478 /nfs/dbraw/zinc/73/74/78/435737478.db2.gz USGDVVNFRGGIQA-MOPGFXCFSA-N 2 2 324.472 3.220 20 0 DGADLP c1cn2c(n1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000655703750 435737486 /nfs/dbraw/zinc/73/74/86/435737486.db2.gz USGDVVNFRGGIQA-MOPGFXCFSA-N 2 2 324.472 3.220 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)c1ccccc1 ZINC000655708390 435740793 /nfs/dbraw/zinc/74/07/93/435740793.db2.gz IXMZTYOKAOCEAG-APWZRJJASA-N 2 2 316.489 3.196 20 0 DGADLP c1c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn2c1CCCC2 ZINC000655707692 435740932 /nfs/dbraw/zinc/74/09/32/435740932.db2.gz AAHAKMBVWVAUGJ-UHFFFAOYSA-N 2 2 324.472 3.105 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655713381 435742075 /nfs/dbraw/zinc/74/20/75/435742075.db2.gz KPLPUAWGSIKLIS-UHFFFAOYSA-N 2 2 323.444 3.057 20 0 DGADLP CC(C)(C)c1cc[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000641448748 435744536 /nfs/dbraw/zinc/74/45/36/435744536.db2.gz FJVBZBUKJACBPI-INIZCTEOSA-N 2 2 303.450 3.044 20 0 DGADLP CCOCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549167402 435745290 /nfs/dbraw/zinc/74/52/90/435745290.db2.gz ZVYYZJDUBMCQEY-LEWJYISDSA-N 2 2 324.468 3.281 20 0 DGADLP CCOCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549167402 435745296 /nfs/dbraw/zinc/74/52/96/435745296.db2.gz ZVYYZJDUBMCQEY-LEWJYISDSA-N 2 2 324.468 3.281 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000655717371 435747253 /nfs/dbraw/zinc/74/72/53/435747253.db2.gz CPIGELBFHPIRFC-IAGOWNOFSA-N 2 2 321.428 3.025 20 0 DGADLP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655723580 435751614 /nfs/dbraw/zinc/75/16/14/435751614.db2.gz LVGRMHNDNXUZOS-MISYRCLQSA-N 2 2 314.473 3.166 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655734176 435758303 /nfs/dbraw/zinc/75/83/03/435758303.db2.gz BIRGXUDSXVJXGL-IIDMSEBBSA-N 2 2 319.518 3.481 20 0 DGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(C3CCCCC3)s1)CC2 ZINC000548623023 435704005 /nfs/dbraw/zinc/70/40/05/435704005.db2.gz WSAKGHRYSBXQDV-AWEZNQCLSA-N 2 2 316.474 3.492 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000571404431 435705787 /nfs/dbraw/zinc/70/57/87/435705787.db2.gz ORFIFDBZWKSWKA-VXGBXAGGSA-N 2 2 303.631 3.072 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792527 435708963 /nfs/dbraw/zinc/70/89/63/435708963.db2.gz RWGQJXUJXWNDLX-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)s1 ZINC000519792527 435708967 /nfs/dbraw/zinc/70/89/67/435708967.db2.gz RWGQJXUJXWNDLX-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)s1 ZINC000519792527 435708972 /nfs/dbraw/zinc/70/89/72/435708972.db2.gz RWGQJXUJXWNDLX-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)s1 ZINC000519792527 435708977 /nfs/dbraw/zinc/70/89/77/435708977.db2.gz RWGQJXUJXWNDLX-PWSUYJOCSA-N 2 2 317.296 3.283 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811466 435712670 /nfs/dbraw/zinc/71/26/70/435712670.db2.gz SRAVUZGKYCZUES-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811466 435712674 /nfs/dbraw/zinc/71/26/74/435712674.db2.gz SRAVUZGKYCZUES-LJQANCHMSA-N 2 2 314.473 3.200 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000571514270 435712749 /nfs/dbraw/zinc/71/27/49/435712749.db2.gz JBCJFAUFXXTDGJ-HQRMLTQVSA-N 2 2 309.457 3.457 20 0 DGADLP Cc1cccc([C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c2ccccn2)c1 ZINC000571514272 435713044 /nfs/dbraw/zinc/71/30/44/435713044.db2.gz JBCJFAUFXXTDGJ-POAQFYNOSA-N 2 2 309.457 3.457 20 0 DGADLP Cc1cccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000655779342 435792402 /nfs/dbraw/zinc/79/24/02/435792402.db2.gz JDCAIRNSZYVFAE-IBGZPJMESA-N 2 2 314.473 3.217 20 0 DGADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651693415 435792763 /nfs/dbraw/zinc/79/27/63/435792763.db2.gz NFNNQBPYMISHES-RBUKOAKNSA-N 3 2 307.526 3.103 20 0 DGADLP CSc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000641708513 435794053 /nfs/dbraw/zinc/79/40/53/435794053.db2.gz SGQQVUXMDRWDNY-UHFFFAOYSA-N 2 2 317.458 3.151 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(F)c(OC)cc2OC)CC1 ZINC000651689223 435794182 /nfs/dbraw/zinc/79/41/82/435794182.db2.gz MCRJAFPAFVOYCR-UHFFFAOYSA-N 2 2 324.440 3.197 20 0 DGADLP Fc1cccc(Cl)c1[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000646147156 435797466 /nfs/dbraw/zinc/79/74/66/435797466.db2.gz UGPDFBFIKKXXTK-HNNXBMFYSA-N 2 2 323.799 3.139 20 0 DGADLP Fc1cccc(Cl)c1[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000646147156 435797471 /nfs/dbraw/zinc/79/74/71/435797471.db2.gz UGPDFBFIKKXXTK-HNNXBMFYSA-N 2 2 323.799 3.139 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000550259813 435798337 /nfs/dbraw/zinc/79/83/37/435798337.db2.gz ULSBXEKPAWJUOA-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000550259813 435798342 /nfs/dbraw/zinc/79/83/42/435798342.db2.gz ULSBXEKPAWJUOA-HNNXBMFYSA-N 2 2 303.837 3.496 20 0 DGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccncc2N)CCCC1)c1ccccc1 ZINC000641727972 435802313 /nfs/dbraw/zinc/80/23/13/435802313.db2.gz YAZCIEVZPHEKPP-MRXNPFEDSA-N 2 2 324.472 3.417 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000550631224 435806614 /nfs/dbraw/zinc/80/66/14/435806614.db2.gz LHGFBPLIFNXGRJ-HZPDHXFCSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000550631224 435806620 /nfs/dbraw/zinc/80/66/20/435806620.db2.gz LHGFBPLIFNXGRJ-HZPDHXFCSA-N 2 2 303.450 3.091 20 0 DGADLP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000550797011 435809766 /nfs/dbraw/zinc/80/97/66/435809766.db2.gz JGAMCJNWWHPPQF-QKYXUNIQSA-N 2 2 310.441 3.271 20 0 DGADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000572338419 435812689 /nfs/dbraw/zinc/81/26/89/435812689.db2.gz XYGZRBQUYKNLJO-UONOGXRCSA-N 2 2 319.497 3.376 20 0 DGADLP CSc1cccc(C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000660588811 435816585 /nfs/dbraw/zinc/81/65/85/435816585.db2.gz BOXWNKMLWOFRLP-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1cccc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000660588811 435816593 /nfs/dbraw/zinc/81/65/93/435816593.db2.gz BOXWNKMLWOFRLP-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)o1 ZINC000641776449 435818964 /nfs/dbraw/zinc/81/89/64/435818964.db2.gz ZLNDTADZXQBAGB-UHFFFAOYSA-N 2 2 304.406 3.068 20 0 DGADLP c1ccc([C@@H](CC2CC2)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655742490 435766404 /nfs/dbraw/zinc/76/64/04/435766404.db2.gz KBUNDSTZHQKPOB-VQTJNVASSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@]1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655744419 435767002 /nfs/dbraw/zinc/76/70/02/435767002.db2.gz ZANANVWVIQYUCN-ICSRJNTNSA-N 2 2 314.473 3.081 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000651616418 435769800 /nfs/dbraw/zinc/76/98/00/435769800.db2.gz AKKKJYVGFMCHQY-UHFFFAOYSA-N 2 2 312.461 3.015 20 0 DGADLP c1[nH+]c2c(cc1NC1CC[NH+](C[C@H]3CCCO3)CC1)CCCC2 ZINC000655751759 435774353 /nfs/dbraw/zinc/77/43/53/435774353.db2.gz RJWZAADPJSVVNK-GOSISDBHSA-N 2 2 315.461 3.016 20 0 DGADLP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655756591 435775707 /nfs/dbraw/zinc/77/57/07/435775707.db2.gz HDMIWFJZLZSIAW-MRXNPFEDSA-N 2 2 314.429 3.084 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644470 435777835 /nfs/dbraw/zinc/77/78/35/435777835.db2.gz SDZYKRYHTIMTCR-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644470 435777840 /nfs/dbraw/zinc/77/78/40/435777840.db2.gz SDZYKRYHTIMTCR-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644470 435777848 /nfs/dbraw/zinc/77/78/48/435777848.db2.gz SDZYKRYHTIMTCR-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)[C@@H](C)C1 ZINC000651644470 435777856 /nfs/dbraw/zinc/77/78/56/435777856.db2.gz SDZYKRYHTIMTCR-XJKSGUPXSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644469 435778541 /nfs/dbraw/zinc/77/85/41/435778541.db2.gz SDZYKRYHTIMTCR-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644469 435778547 /nfs/dbraw/zinc/77/85/47/435778547.db2.gz SDZYKRYHTIMTCR-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644469 435778555 /nfs/dbraw/zinc/77/85/55/435778555.db2.gz SDZYKRYHTIMTCR-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(OC)cc2OC)[C@H](C)C1 ZINC000651644469 435778563 /nfs/dbraw/zinc/77/85/63/435778563.db2.gz SDZYKRYHTIMTCR-CZUORRHYSA-N 2 2 324.440 3.005 20 0 DGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646821 435779387 /nfs/dbraw/zinc/77/93/87/435779387.db2.gz SJYPFMKUEAEKBN-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646821 435779391 /nfs/dbraw/zinc/77/93/91/435779391.db2.gz SJYPFMKUEAEKBN-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646821 435779394 /nfs/dbraw/zinc/77/93/94/435779394.db2.gz SJYPFMKUEAEKBN-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651646821 435779399 /nfs/dbraw/zinc/77/93/99/435779399.db2.gz SJYPFMKUEAEKBN-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP COCc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000549921836 435785307 /nfs/dbraw/zinc/78/53/07/435785307.db2.gz MTNRHENSMZWHHJ-UHFFFAOYSA-N 2 2 311.429 3.305 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)cc1OC ZINC000651808681 435830944 /nfs/dbraw/zinc/83/09/44/435830944.db2.gz AAIWVIKEJRXHJC-UHFFFAOYSA-N 2 2 312.429 3.007 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(OC)cc1OC ZINC000651808681 435830951 /nfs/dbraw/zinc/83/09/51/435830951.db2.gz AAIWVIKEJRXHJC-UHFFFAOYSA-N 2 2 312.429 3.007 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000655835832 435831325 /nfs/dbraw/zinc/83/13/25/435831325.db2.gz XFOIKGWRBFENFU-CYBMUJFWSA-N 2 2 315.383 3.019 20 0 DGADLP CC(C)([NH3+])CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000641815105 435832559 /nfs/dbraw/zinc/83/25/59/435832559.db2.gz AVVLPEBEWNSLMQ-UHFFFAOYSA-N 2 2 314.389 3.123 20 0 DGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845458 435835464 /nfs/dbraw/zinc/83/54/64/435835464.db2.gz HJROAHWGZGGAOI-SMDDNHRTSA-N 2 2 314.351 3.114 20 0 DGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655845458 435835467 /nfs/dbraw/zinc/83/54/67/435835467.db2.gz HJROAHWGZGGAOI-SMDDNHRTSA-N 2 2 314.351 3.114 20 0 DGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000655845168 435836829 /nfs/dbraw/zinc/83/68/29/435836829.db2.gz QRIOIJRYDNVOCX-MQMHXKEQSA-N 2 2 305.447 3.370 20 0 DGADLP C1C[C@@H]([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848086 435838386 /nfs/dbraw/zinc/83/83/86/435838386.db2.gz ASLZQLIPEYNUEY-UJWQCDCRSA-N 2 2 306.494 3.188 20 0 DGADLP C1C[C@@H]([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CO1 ZINC000655848086 435838391 /nfs/dbraw/zinc/83/83/91/435838391.db2.gz ASLZQLIPEYNUEY-UJWQCDCRSA-N 2 2 306.494 3.188 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849291 435838971 /nfs/dbraw/zinc/83/89/71/435838971.db2.gz SSQOVNJIVSCRKN-NQYYFHDYSA-N 2 2 302.462 3.369 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849291 435838978 /nfs/dbraw/zinc/83/89/78/435838978.db2.gz SSQOVNJIVSCRKN-NQYYFHDYSA-N 2 2 302.462 3.369 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848963 435840271 /nfs/dbraw/zinc/84/02/71/435840271.db2.gz MXITZUYNDQYXNM-OKZBNKHCSA-N 2 2 318.436 3.428 20 0 DGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848963 435840277 /nfs/dbraw/zinc/84/02/77/435840277.db2.gz MXITZUYNDQYXNM-OKZBNKHCSA-N 2 2 318.436 3.428 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655847397 435840975 /nfs/dbraw/zinc/84/09/75/435840975.db2.gz AQQUQAKZKPKMPZ-QYZOEREBSA-N 2 2 300.446 3.289 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655847397 435840977 /nfs/dbraw/zinc/84/09/77/435840977.db2.gz AQQUQAKZKPKMPZ-QYZOEREBSA-N 2 2 300.446 3.289 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Br)cc1)C2 ZINC000660655255 435841665 /nfs/dbraw/zinc/84/16/65/435841665.db2.gz LIWIESQBEFSLHC-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Br)cc1)C2 ZINC000660655255 435841676 /nfs/dbraw/zinc/84/16/76/435841676.db2.gz LIWIESQBEFSLHC-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1)C2 ZINC000660655255 435841680 /nfs/dbraw/zinc/84/16/80/435841680.db2.gz LIWIESQBEFSLHC-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1)C2 ZINC000660655255 435841689 /nfs/dbraw/zinc/84/16/89/435841689.db2.gz LIWIESQBEFSLHC-INIZCTEOSA-N 2 2 323.278 3.367 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850470 435842653 /nfs/dbraw/zinc/84/26/53/435842653.db2.gz VUBSTTMEFRCYTR-CGTJXYLNSA-N 2 2 302.462 3.233 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850470 435842657 /nfs/dbraw/zinc/84/26/57/435842657.db2.gz VUBSTTMEFRCYTR-CGTJXYLNSA-N 2 2 302.462 3.233 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1(CC)CC ZINC000551563232 435843231 /nfs/dbraw/zinc/84/32/31/435843231.db2.gz DNZHOESZSMVSLP-JKSUJKDBSA-N 2 2 305.466 3.293 20 0 DGADLP CC(C)c1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000551589732 435844037 /nfs/dbraw/zinc/84/40/37/435844037.db2.gz FNOYSWXXBLMFSO-CZUORRHYSA-N 2 2 302.466 3.040 20 0 DGADLP CC(C)c1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000551589732 435844044 /nfs/dbraw/zinc/84/40/44/435844044.db2.gz FNOYSWXXBLMFSO-CZUORRHYSA-N 2 2 302.466 3.040 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655856555 435845576 /nfs/dbraw/zinc/84/55/76/435845576.db2.gz NQEYEYBORGCPAC-QZTJIDSGSA-N 2 2 311.429 3.047 20 0 DGADLP O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655856555 435845584 /nfs/dbraw/zinc/84/55/84/435845584.db2.gz NQEYEYBORGCPAC-QZTJIDSGSA-N 2 2 311.429 3.047 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000651866161 435851733 /nfs/dbraw/zinc/85/17/33/435851733.db2.gz XFRSCTIXGAZJQI-HNNXBMFYSA-N 2 2 311.495 3.062 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000651866161 435851739 /nfs/dbraw/zinc/85/17/39/435851739.db2.gz XFRSCTIXGAZJQI-HNNXBMFYSA-N 2 2 311.495 3.062 20 0 DGADLP Cc1cnc([C@@H](C)[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cn1 ZINC000660675025 435854982 /nfs/dbraw/zinc/85/49/82/435854982.db2.gz FIEJUIWEFIGFNG-MRXNPFEDSA-N 2 2 310.445 3.100 20 0 DGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC000660674697 435855362 /nfs/dbraw/zinc/85/53/62/435855362.db2.gz UJDMWOQJORJEGV-UHFFFAOYSA-N 2 2 318.505 3.309 20 0 DGADLP Cc1nc(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cs1 ZINC000660678114 435856730 /nfs/dbraw/zinc/85/67/30/435856730.db2.gz RKBFZUKLDCMMIR-UHFFFAOYSA-N 2 2 315.486 3.248 20 0 DGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000660694090 435862745 /nfs/dbraw/zinc/86/27/45/435862745.db2.gz SPFZSRMAXSNVHM-HNNXBMFYSA-N 2 2 324.896 3.474 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CO1 ZINC000651912728 435866309 /nfs/dbraw/zinc/86/63/09/435866309.db2.gz COMHTGCLXNCTCJ-DZGCQCFKSA-N 2 2 305.447 3.323 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](CC)CO1 ZINC000651912728 435866312 /nfs/dbraw/zinc/86/63/12/435866312.db2.gz COMHTGCLXNCTCJ-DZGCQCFKSA-N 2 2 305.447 3.323 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801099 435867483 /nfs/dbraw/zinc/86/74/83/435867483.db2.gz OAOQJPKFOAVWEB-UKRRQHHQSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801099 435867487 /nfs/dbraw/zinc/86/74/87/435867487.db2.gz OAOQJPKFOAVWEB-UKRRQHHQSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801099 435867494 /nfs/dbraw/zinc/86/74/94/435867494.db2.gz OAOQJPKFOAVWEB-UKRRQHHQSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000572801099 435867500 /nfs/dbraw/zinc/86/75/00/435867500.db2.gz OAOQJPKFOAVWEB-UKRRQHHQSA-N 2 2 310.869 3.178 20 0 DGADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccn1 ZINC000572423012 435825025 /nfs/dbraw/zinc/82/50/25/435825025.db2.gz OKYIBUICYKELMM-HNNXBMFYSA-N 2 2 322.412 3.186 20 0 DGADLP CC(C)(C)[C@@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857023 435909458 /nfs/dbraw/zinc/90/94/58/435909458.db2.gz DFWTYTAHRKBMNL-KRWDZBQOSA-N 2 2 315.461 3.224 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932450 435926875 /nfs/dbraw/zinc/92/68/75/435926875.db2.gz XEYWICOAOBDWPR-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932450 435926879 /nfs/dbraw/zinc/92/68/79/435926879.db2.gz XEYWICOAOBDWPR-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932450 435926883 /nfs/dbraw/zinc/92/68/83/435926883.db2.gz XEYWICOAOBDWPR-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC000660932450 435926885 /nfs/dbraw/zinc/92/68/85/435926885.db2.gz XEYWICOAOBDWPR-UFYCRDLUSA-N 2 2 314.473 3.152 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000665243638 435927128 /nfs/dbraw/zinc/92/71/28/435927128.db2.gz OIXCJMJGLQCONG-FOGDFJRCSA-N 2 2 303.233 3.101 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656261656 435927675 /nfs/dbraw/zinc/92/76/75/435927675.db2.gz MAYXWSNYEBGEIA-UHFFFAOYSA-N 2 2 314.477 3.263 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656261656 435927680 /nfs/dbraw/zinc/92/76/80/435927680.db2.gz MAYXWSNYEBGEIA-UHFFFAOYSA-N 2 2 314.477 3.263 20 0 DGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Br)c1 ZINC000665276905 435936859 /nfs/dbraw/zinc/93/68/59/435936859.db2.gz OQJSZHAMTYMBGC-WPBUFGDCSA-N 2 2 309.251 3.242 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C12CCC2 ZINC000665251518 435928985 /nfs/dbraw/zinc/92/89/85/435928985.db2.gz RLCJSYTUOCUWRE-AKHDSKFASA-N 2 2 314.473 3.069 20 0 DGADLP COC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(Cl)c1F ZINC000665247163 435929067 /nfs/dbraw/zinc/92/90/67/435929067.db2.gz XBKDELFAXYCALI-CYBMUJFWSA-N 2 2 300.805 3.028 20 0 DGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1OC(F)F ZINC000665249052 435929120 /nfs/dbraw/zinc/92/91/20/435929120.db2.gz ILXFROHYDTUZNR-JTQLQIEISA-N 2 2 302.340 3.349 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000665250052 435929410 /nfs/dbraw/zinc/92/94/10/435929410.db2.gz GVPQFKPRSDOYCU-CWFSZBLJSA-N 2 2 310.441 3.492 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254118 435930610 /nfs/dbraw/zinc/93/06/10/435930610.db2.gz IDYDPZFUTZXBBV-KZNAEPCWSA-N 2 2 308.441 3.066 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656276855 435934390 /nfs/dbraw/zinc/93/43/90/435934390.db2.gz IYSMKIUSHALMGV-ATZDWAIDSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656276855 435934396 /nfs/dbraw/zinc/93/43/96/435934396.db2.gz IYSMKIUSHALMGV-ATZDWAIDSA-N 2 2 302.462 3.320 20 0 DGADLP CC[C@@H]([NH2+]Cc1sc(C)cc1Br)[C@@H]1CCC[NH2+]1 ZINC000665267325 435934964 /nfs/dbraw/zinc/93/49/64/435934964.db2.gz UUQKBLUNRXOJDK-NEPJUHHUSA-N 2 2 317.296 3.439 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000647169959 435958265 /nfs/dbraw/zinc/95/82/65/435958265.db2.gz IESLZKBRHZTGOO-UHFFFAOYSA-N 2 2 300.450 3.001 20 0 DGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000647169959 435958269 /nfs/dbraw/zinc/95/82/69/435958269.db2.gz IESLZKBRHZTGOO-UHFFFAOYSA-N 2 2 300.450 3.001 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652356182 435959195 /nfs/dbraw/zinc/95/91/95/435959195.db2.gz VQFPQCJFSRZDTH-DZGCQCFKSA-N 2 2 318.440 3.145 20 0 DGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652356182 435959198 /nfs/dbraw/zinc/95/91/98/435959198.db2.gz VQFPQCJFSRZDTH-DZGCQCFKSA-N 2 2 318.440 3.145 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CO[C@H](C)C2)CCCC1)c1ccccc1 ZINC000647185037 435964418 /nfs/dbraw/zinc/96/44/18/435964418.db2.gz LZJJERLQJFMKNY-SOLBZPMBSA-N 2 2 302.462 3.417 20 0 DGADLP CC[C@H](C)[N@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109246 435966778 /nfs/dbraw/zinc/96/67/78/435966778.db2.gz QHWRCUGINIWUOV-HOTGVXAUSA-N 2 2 303.450 3.134 20 0 DGADLP CC[C@H](C)[N@@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000661109246 435966782 /nfs/dbraw/zinc/96/67/82/435966782.db2.gz QHWRCUGINIWUOV-HOTGVXAUSA-N 2 2 303.450 3.134 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000665296623 435942299 /nfs/dbraw/zinc/94/22/99/435942299.db2.gz VPAAYBGLXPFVTH-OCCSQVGLSA-N 2 2 301.459 3.385 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000665296655 435942548 /nfs/dbraw/zinc/94/25/48/435942548.db2.gz VYBMFSKQGKTGES-SCLBCKFNSA-N 2 2 304.384 3.446 20 0 DGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299403 435945021 /nfs/dbraw/zinc/94/50/21/435945021.db2.gz MKYQFSLPOOFNNE-BRWVUGGUSA-N 2 2 310.445 3.109 20 0 DGADLP Cc1[nH+]c2ccccc2c(C)c1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647156652 435954481 /nfs/dbraw/zinc/95/44/81/435954481.db2.gz KFLBWSQYMQVBDK-INIZCTEOSA-N 2 2 308.385 3.250 20 0 DGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647286379 435999989 /nfs/dbraw/zinc/99/99/89/435999989.db2.gz RQUOLLGEKXMCLR-OAHLLOKOSA-N 2 2 304.482 3.135 20 0 DGADLP [NH3+]CC1(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000650713200 436000894 /nfs/dbraw/zinc/00/08/94/436000894.db2.gz JMZROLVSVUDCSR-UHFFFAOYSA-N 3 2 321.896 3.023 20 0 DGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2)C(C)C ZINC000647290763 436003758 /nfs/dbraw/zinc/00/37/58/436003758.db2.gz TXDXXPWUSGXNCC-INIZCTEOSA-N 2 2 306.498 3.379 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000650719598 436003994 /nfs/dbraw/zinc/00/39/94/436003994.db2.gz VMOIGTRSEDBRRZ-UTKZUKDTSA-N 3 2 323.484 3.016 20 0 DGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000650719598 436003999 /nfs/dbraw/zinc/00/39/99/436003999.db2.gz VMOIGTRSEDBRRZ-UTKZUKDTSA-N 3 2 323.484 3.016 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693634 436014060 /nfs/dbraw/zinc/01/40/60/436014060.db2.gz BYOCCMWEOMFDOA-HOCLYGCPSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693634 436014066 /nfs/dbraw/zinc/01/40/66/436014066.db2.gz BYOCCMWEOMFDOA-HOCLYGCPSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693634 436014069 /nfs/dbraw/zinc/01/40/69/436014069.db2.gz BYOCCMWEOMFDOA-HOCLYGCPSA-N 2 2 304.434 3.127 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000656693634 436014074 /nfs/dbraw/zinc/01/40/74/436014074.db2.gz BYOCCMWEOMFDOA-HOCLYGCPSA-N 2 2 304.434 3.127 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C[N@@H+]1Cc1ccccc1 ZINC000650751048 436018399 /nfs/dbraw/zinc/01/83/99/436018399.db2.gz PJBVGXVNOMVLIO-NSISKUIASA-N 2 2 321.468 3.276 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C[N@H+]1Cc1ccccc1 ZINC000650751048 436018405 /nfs/dbraw/zinc/01/84/05/436018405.db2.gz PJBVGXVNOMVLIO-NSISKUIASA-N 2 2 321.468 3.276 20 0 DGADLP CC[C@@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)c1ccc(F)cn1 ZINC000647363778 436031198 /nfs/dbraw/zinc/03/11/98/436031198.db2.gz JUGUZWLFWFICAX-MRXNPFEDSA-N 2 2 312.392 3.460 20 0 DGADLP CCc1cccnc1[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364171 436032594 /nfs/dbraw/zinc/03/25/94/436032594.db2.gz UJNHCRASGLGDNR-OAHLLOKOSA-N 2 2 308.429 3.493 20 0 DGADLP Cc1[nH+]cc(CNc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1C ZINC000656770970 436037243 /nfs/dbraw/zinc/03/72/43/436037243.db2.gz ZZIWNTJHHOVOMV-CQSZACIVSA-N 2 2 313.449 3.423 20 0 DGADLP C[N@H+](Cc1ccc(Cl)c(Br)c1)CC(C)(C)[NH3+] ZINC000656783347 436043251 /nfs/dbraw/zinc/04/32/51/436043251.db2.gz PRXSSJCFFVMANJ-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP C[N@@H+](Cc1ccc(Cl)c(Br)c1)CC(C)(C)[NH3+] ZINC000656783347 436043258 /nfs/dbraw/zinc/04/32/58/436043258.db2.gz PRXSSJCFFVMANJ-UHFFFAOYSA-N 2 2 305.647 3.272 20 0 DGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789207 436048175 /nfs/dbraw/zinc/04/81/75/436048175.db2.gz RIDBWSLPVCESCE-RTBURBONSA-N 2 2 312.461 3.008 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([NH3+])CCCC1 ZINC000656788502 436048282 /nfs/dbraw/zinc/04/82/82/436048282.db2.gz RZPNBCLDMOYMQY-UHFFFAOYSA-N 3 2 303.494 3.006 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([NH3+])CCCC1 ZINC000656788502 436048286 /nfs/dbraw/zinc/04/82/86/436048286.db2.gz RZPNBCLDMOYMQY-UHFFFAOYSA-N 3 2 303.494 3.006 20 0 DGADLP Fc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479649 436059975 /nfs/dbraw/zinc/05/99/75/436059975.db2.gz OIJFUTASDGOPTJ-JSGCOSHPSA-N 2 2 319.449 3.399 20 0 DGADLP Fc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)sc2c1 ZINC000647479649 436059980 /nfs/dbraw/zinc/05/99/80/436059980.db2.gz OIJFUTASDGOPTJ-JSGCOSHPSA-N 2 2 319.449 3.399 20 0 DGADLP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480188 436060000 /nfs/dbraw/zinc/06/00/00/436060000.db2.gz GLPNDIZMTWKGQY-CVEARBPZSA-N 2 2 312.461 3.020 20 0 DGADLP CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480188 436060005 /nfs/dbraw/zinc/06/00/05/436060005.db2.gz GLPNDIZMTWKGQY-CVEARBPZSA-N 2 2 312.461 3.020 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@H]1[NH3+] ZINC000647498590 436065127 /nfs/dbraw/zinc/06/51/27/436065127.db2.gz KURPLKCRYWUSJM-QMTHXVAHSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC[C@H]1[NH3+] ZINC000647498590 436065133 /nfs/dbraw/zinc/06/51/33/436065133.db2.gz KURPLKCRYWUSJM-QMTHXVAHSA-N 2 2 304.331 3.404 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498447 436067103 /nfs/dbraw/zinc/06/71/03/436067103.db2.gz HHXJBBLVKFIUKO-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498447 436067108 /nfs/dbraw/zinc/06/71/08/436067108.db2.gz HHXJBBLVKFIUKO-DZGCQCFKSA-N 2 2 301.459 3.369 20 0 DGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000647508073 436069227 /nfs/dbraw/zinc/06/92/27/436069227.db2.gz GNZCYRGEXPHVDV-WMLDXEAASA-N 2 2 316.470 3.272 20 0 DGADLP Cc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]([C@H](C)[NH3+])C3)s2)cc1 ZINC000647508073 436069231 /nfs/dbraw/zinc/06/92/31/436069231.db2.gz GNZCYRGEXPHVDV-WMLDXEAASA-N 2 2 316.470 3.272 20 0 DGADLP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(F)F ZINC000647536954 436074389 /nfs/dbraw/zinc/07/43/89/436074389.db2.gz NWYHETAKJRTXPB-INIZCTEOSA-N 2 2 314.351 3.003 20 0 DGADLP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(F)F ZINC000647536954 436074395 /nfs/dbraw/zinc/07/43/95/436074395.db2.gz NWYHETAKJRTXPB-INIZCTEOSA-N 2 2 314.351 3.003 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)s2)c1 ZINC000647536965 436075596 /nfs/dbraw/zinc/07/55/96/436075596.db2.gz QFNGMISTIRSTOE-INIZCTEOSA-N 2 2 319.499 3.447 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)s2)c1 ZINC000647536965 436075600 /nfs/dbraw/zinc/07/56/00/436075600.db2.gz QFNGMISTIRSTOE-INIZCTEOSA-N 2 2 319.499 3.447 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2COCc2ccccc2)C1 ZINC000647549336 436079924 /nfs/dbraw/zinc/07/99/24/436079924.db2.gz URUGRBFQGVZQMN-UWJYYQICSA-N 2 2 324.468 3.491 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)cn21 ZINC000647553910 436082997 /nfs/dbraw/zinc/08/29/97/436082997.db2.gz MUSPTUQCSPXCHG-WBVHZDCISA-N 3 2 314.477 3.086 20 0 DGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000647551125 436083426 /nfs/dbraw/zinc/08/34/26/436083426.db2.gz YQNGHKGULRYPIW-XJKSGUPXSA-N 2 2 315.392 3.101 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647803752 436125224 /nfs/dbraw/zinc/12/52/24/436125224.db2.gz AOFHSWRRKPVPOO-CJNGLKHVSA-N 2 2 308.853 3.076 20 0 DGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC[C@H]1[NH3+] ZINC000647938407 436154046 /nfs/dbraw/zinc/15/40/46/436154046.db2.gz MHDIUZZHXHDPLF-SQWLQELKSA-N 2 2 314.433 3.165 20 0 DGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC[C@H]1[NH3+] ZINC000647938407 436154051 /nfs/dbraw/zinc/15/40/51/436154051.db2.gz MHDIUZZHXHDPLF-SQWLQELKSA-N 2 2 314.433 3.165 20 0 DGADLP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000647882209 436140266 /nfs/dbraw/zinc/14/02/66/436140266.db2.gz WJKWWIAPUZNUHP-MRXNPFEDSA-N 2 2 318.465 3.254 20 0 DGADLP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000647882209 436140269 /nfs/dbraw/zinc/14/02/69/436140269.db2.gz WJKWWIAPUZNUHP-MRXNPFEDSA-N 2 2 318.465 3.254 20 0 DGADLP CC(C)n1ccnc1C[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000657340207 436146464 /nfs/dbraw/zinc/14/64/64/436146464.db2.gz DKQYROPLBSCDMQ-AWEZNQCLSA-N 2 2 315.465 3.063 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000657347830 436152074 /nfs/dbraw/zinc/15/20/74/436152074.db2.gz GPTRAVDRJBSPBS-YVVXQTMVSA-N 2 2 324.428 3.182 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647927084 436153176 /nfs/dbraw/zinc/15/31/76/436153176.db2.gz YJMWSHODPWZNDA-OAHLLOKOSA-N 2 2 317.477 3.259 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Br)cc1 ZINC000657291568 436116452 /nfs/dbraw/zinc/11/64/52/436116452.db2.gz XNUIADKOVMTQRL-NSHDSACASA-N 2 2 320.234 3.443 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647786063 436117559 /nfs/dbraw/zinc/11/75/59/436117559.db2.gz HHQBFKOTSSWYEL-GDAAHCPNSA-N 3 2 315.505 3.094 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657288850 436118337 /nfs/dbraw/zinc/11/83/37/436118337.db2.gz KNSYHLHWOIEFNC-UHFFFAOYSA-N 2 2 323.444 3.136 20 0 DGADLP Fc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1OC(F)F ZINC000657296952 436120757 /nfs/dbraw/zinc/12/07/57/436120757.db2.gz YQIUZBGHKZLUDG-UHFFFAOYSA-N 2 2 302.340 3.003 20 0 DGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(OC(F)F)cc1 ZINC000657298208 436122547 /nfs/dbraw/zinc/12/25/47/436122547.db2.gz MCAOFDPHLZFAFK-NSHDSACASA-N 2 2 307.344 3.282 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@H](C)CC(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000647800455 436123906 /nfs/dbraw/zinc/12/39/06/436123906.db2.gz BNGCXKHRCKRJPW-PVUWLOKVSA-N 2 2 312.404 3.369 20 0 DGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnn2c1CCC2)c1ccccc1 ZINC000657369113 436164501 /nfs/dbraw/zinc/16/45/01/436164501.db2.gz YMCNWOWYCBKBHF-OAHLLOKOSA-N 2 2 312.461 3.048 20 0 DGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(-c3cccnc3)cc1)CCC2 ZINC000657383862 436170021 /nfs/dbraw/zinc/17/00/21/436170021.db2.gz LNNIMEJXNLOVSY-UHFFFAOYSA-N 2 2 304.397 3.181 20 0 DGADLP Brc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)s1 ZINC000647991260 436171231 /nfs/dbraw/zinc/17/12/31/436171231.db2.gz RVJLSBKNDVURLO-GHMZBOCLSA-N 2 2 315.280 3.257 20 0 DGADLP Brc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)s1 ZINC000647991260 436171234 /nfs/dbraw/zinc/17/12/34/436171234.db2.gz RVJLSBKNDVURLO-GHMZBOCLSA-N 2 2 315.280 3.257 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000648010619 436176904 /nfs/dbraw/zinc/17/69/04/436176904.db2.gz LFVBQVIALRGFHF-SJLPKXTDSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000648010619 436176911 /nfs/dbraw/zinc/17/69/11/436176911.db2.gz LFVBQVIALRGFHF-SJLPKXTDSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000648010619 436176915 /nfs/dbraw/zinc/17/69/15/436176915.db2.gz LFVBQVIALRGFHF-SJLPKXTDSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000648010619 436176919 /nfs/dbraw/zinc/17/69/19/436176919.db2.gz LFVBQVIALRGFHF-SJLPKXTDSA-N 2 2 312.461 3.095 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000648006294 436174654 /nfs/dbraw/zinc/17/46/54/436174654.db2.gz VYEFSFHPOKLEFT-GOSISDBHSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000648006294 436174658 /nfs/dbraw/zinc/17/46/58/436174658.db2.gz VYEFSFHPOKLEFT-GOSISDBHSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000648034502 436187307 /nfs/dbraw/zinc/18/73/07/436187307.db2.gz WYUCGRYQLPVBFW-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000648034502 436187312 /nfs/dbraw/zinc/18/73/12/436187312.db2.gz WYUCGRYQLPVBFW-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000648034502 436187315 /nfs/dbraw/zinc/18/73/15/436187315.db2.gz WYUCGRYQLPVBFW-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP Cc1ccccc1-n1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000648034502 436187320 /nfs/dbraw/zinc/18/73/20/436187320.db2.gz WYUCGRYQLPVBFW-DFNIBXOVSA-N 2 2 324.472 3.238 20 0 DGADLP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1OC ZINC000657523801 436233576 /nfs/dbraw/zinc/23/35/76/436233576.db2.gz LBPKXDSRLLCEOW-HNNXBMFYSA-N 2 2 306.450 3.056 20 0 DGADLP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1OC ZINC000657523801 436233581 /nfs/dbraw/zinc/23/35/81/436233581.db2.gz LBPKXDSRLLCEOW-HNNXBMFYSA-N 2 2 306.450 3.056 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000657527135 436234089 /nfs/dbraw/zinc/23/40/89/436234089.db2.gz RIDRESUZWMTZLE-CYBMUJFWSA-N 2 2 316.367 3.373 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000657527135 436234094 /nfs/dbraw/zinc/23/40/94/436234094.db2.gz RIDRESUZWMTZLE-CYBMUJFWSA-N 2 2 316.367 3.373 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689626 436243642 /nfs/dbraw/zinc/24/36/42/436243642.db2.gz FACMNMFAZUFUFP-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP CSc1ccccc1C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689626 436243646 /nfs/dbraw/zinc/24/36/46/436243646.db2.gz FACMNMFAZUFUFP-OAHLLOKOSA-N 2 2 320.502 3.094 20 0 DGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513027 436189168 /nfs/dbraw/zinc/18/91/68/436189168.db2.gz IVTJEZZKAONMJO-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513027 436189175 /nfs/dbraw/zinc/18/91/75/436189175.db2.gz IVTJEZZKAONMJO-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513027 436189177 /nfs/dbraw/zinc/18/91/77/436189177.db2.gz IVTJEZZKAONMJO-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653513027 436189185 /nfs/dbraw/zinc/18/91/85/436189185.db2.gz IVTJEZZKAONMJO-WFASDCNBSA-N 2 2 318.383 3.011 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000657431322 436197929 /nfs/dbraw/zinc/19/79/29/436197929.db2.gz FHHHLFVROPSPIW-CEXWTWQISA-N 2 2 324.472 3.108 20 0 DGADLP Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000657431322 436197933 /nfs/dbraw/zinc/19/79/33/436197933.db2.gz FHHHLFVROPSPIW-CEXWTWQISA-N 2 2 324.472 3.108 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](CCO)c2ccccc2F)c[nH+]1 ZINC000648068167 436200289 /nfs/dbraw/zinc/20/02/89/436200289.db2.gz HDTVPZLVSHEDIF-GOSISDBHSA-N 2 2 302.393 3.175 20 0 DGADLP CC(C)n1cc[nH+]c1CN[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000657439057 436203096 /nfs/dbraw/zinc/20/30/96/436203096.db2.gz SKICJRVIROEPQC-CRAIPNDOSA-N 2 2 300.450 3.245 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)Cc3ccc(O)cc3)cn21 ZINC000648078870 436206527 /nfs/dbraw/zinc/20/65/27/436206527.db2.gz SQZCYQOBHMAOBU-CQSZACIVSA-N 2 2 309.413 3.112 20 0 DGADLP COCCCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657453191 436209588 /nfs/dbraw/zinc/20/95/88/436209588.db2.gz SBVGWJWBWQHRRP-GOSISDBHSA-N 2 2 313.445 3.477 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000657470028 436216935 /nfs/dbraw/zinc/21/69/35/436216935.db2.gz MCMBNQFQFJJQCW-OAHLLOKOSA-N 2 2 324.453 3.489 20 0 DGADLP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000657470028 436216936 /nfs/dbraw/zinc/21/69/36/436216936.db2.gz MCMBNQFQFJJQCW-OAHLLOKOSA-N 2 2 324.453 3.489 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590456 436218171 /nfs/dbraw/zinc/21/81/71/436218171.db2.gz CHMYLYGFAAIOML-HIFRSBDPSA-N 2 2 323.400 3.021 20 0 DGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590456 436218175 /nfs/dbraw/zinc/21/81/75/436218175.db2.gz CHMYLYGFAAIOML-HIFRSBDPSA-N 2 2 323.400 3.021 20 0 DGADLP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000666454055 436224774 /nfs/dbraw/zinc/22/47/74/436224774.db2.gz PVDKKJLMLXBXEC-ZDUSSCGKSA-N 2 2 303.381 3.059 20 0 DGADLP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1OC(C)C ZINC000657522272 436231742 /nfs/dbraw/zinc/23/17/42/436231742.db2.gz CIVRALXYYWPUKQ-MRXNPFEDSA-N 2 2 320.477 3.445 20 0 DGADLP COc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1OC(C)C ZINC000657522272 436231745 /nfs/dbraw/zinc/23/17/45/436231745.db2.gz CIVRALXYYWPUKQ-MRXNPFEDSA-N 2 2 320.477 3.445 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000657506676 436232277 /nfs/dbraw/zinc/23/22/77/436232277.db2.gz PRNWTCCTYFKRRT-JKSUJKDBSA-N 2 2 301.459 3.403 20 0 DGADLP c1c2ccncc2sc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000657506676 436232282 /nfs/dbraw/zinc/23/22/82/436232282.db2.gz PRNWTCCTYFKRRT-JKSUJKDBSA-N 2 2 301.459 3.403 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](c3ccccc3)[C@@H](O)C(C)C)n2c1 ZINC000657744473 436294405 /nfs/dbraw/zinc/29/44/05/436294405.db2.gz FQHIEAXWMNBBBO-UXHICEINSA-N 2 2 323.440 3.491 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000657588953 436255091 /nfs/dbraw/zinc/25/50/91/436255091.db2.gz YIOYWHVBJYIXKH-YLJYHZDGSA-N 2 2 309.457 3.043 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000657588953 436255094 /nfs/dbraw/zinc/25/50/94/436255094.db2.gz YIOYWHVBJYIXKH-YLJYHZDGSA-N 2 2 309.457 3.043 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657630964 436265583 /nfs/dbraw/zinc/26/55/83/436265583.db2.gz SLDCNNSPQKLJPD-NXHRZFHOSA-N 2 2 300.446 3.123 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657630964 436265588 /nfs/dbraw/zinc/26/55/88/436265588.db2.gz SLDCNNSPQKLJPD-NXHRZFHOSA-N 2 2 300.446 3.123 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662838 436270591 /nfs/dbraw/zinc/27/05/91/436270591.db2.gz CVYJHSOVUYLXTF-QFHJOOASSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657662838 436270594 /nfs/dbraw/zinc/27/05/94/436270594.db2.gz CVYJHSOVUYLXTF-QFHJOOASSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@@]1(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1(F)F ZINC000657670100 436275061 /nfs/dbraw/zinc/27/50/61/436275061.db2.gz JYVRJDGAWBKBLQ-GFCCVEGCSA-N 2 2 314.342 3.428 20 0 DGADLP Cc1cccc2[nH+]cc(CN[C@@H]3CC[N@@H+](C4CCCCC4)C3)n21 ZINC000657678449 436276320 /nfs/dbraw/zinc/27/63/20/436276320.db2.gz QOKXQAQOWIKATB-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP Cc1cccc2[nH+]cc(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)n21 ZINC000657678449 436276325 /nfs/dbraw/zinc/27/63/25/436276325.db2.gz QOKXQAQOWIKATB-MRXNPFEDSA-N 2 2 312.461 3.139 20 0 DGADLP c1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678678 436276949 /nfs/dbraw/zinc/27/69/49/436276949.db2.gz UBXOLBWAWNDRGB-QZTJIDSGSA-N 2 2 313.489 3.262 20 0 DGADLP c1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C2)cc1 ZINC000657678678 436276952 /nfs/dbraw/zinc/27/69/52/436276952.db2.gz UBXOLBWAWNDRGB-QZTJIDSGSA-N 2 2 313.489 3.262 20 0 DGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000666770258 436278703 /nfs/dbraw/zinc/27/87/03/436278703.db2.gz QJDUMVQEUDDZJL-HIFRSBDPSA-N 2 2 323.868 3.097 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000657694378 436280468 /nfs/dbraw/zinc/28/04/68/436280468.db2.gz LFNMRUJBQCQYKA-CADBVGFASA-N 2 2 308.510 3.292 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657980573 436350670 /nfs/dbraw/zinc/35/06/70/436350670.db2.gz XHFBOMJRWWMWJP-MOPGFXCFSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657980573 436350675 /nfs/dbraw/zinc/35/06/75/436350675.db2.gz XHFBOMJRWWMWJP-MOPGFXCFSA-N 2 2 316.489 3.444 20 0 DGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657792289 436309013 /nfs/dbraw/zinc/30/90/13/436309013.db2.gz BHOSNGHJSJUHJG-UHFFFAOYSA-N 2 2 308.376 3.347 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000662242076 436310539 /nfs/dbraw/zinc/31/05/39/436310539.db2.gz BGXQYPUJZGSXNS-SNVBAGLBSA-N 2 2 317.658 3.192 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000662242076 436310542 /nfs/dbraw/zinc/31/05/42/436310542.db2.gz BGXQYPUJZGSXNS-SNVBAGLBSA-N 2 2 317.658 3.192 20 0 DGADLP C[C@H]1C[N@H+](Cc2oc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000662242825 436311780 /nfs/dbraw/zinc/31/17/80/436311780.db2.gz CZZLJGMFWUSAOB-JQWIXIFHSA-N 2 2 323.234 3.364 20 0 DGADLP C[C@H]1C[N@@H+](Cc2oc3ccccc3c2Br)CC[C@@H]1[NH3+] ZINC000662242825 436311784 /nfs/dbraw/zinc/31/17/84/436311784.db2.gz CZZLJGMFWUSAOB-JQWIXIFHSA-N 2 2 323.234 3.364 20 0 DGADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000666948014 436312245 /nfs/dbraw/zinc/31/22/45/436312245.db2.gz PWGIUGCGGKNZMQ-BPNCWPANSA-N 2 2 304.331 3.099 20 0 DGADLP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662250813 436314121 /nfs/dbraw/zinc/31/41/21/436314121.db2.gz OQRVXYIGNIQQIZ-ROUUACIJSA-N 2 2 302.462 3.109 20 0 DGADLP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662250813 436314124 /nfs/dbraw/zinc/31/41/24/436314124.db2.gz OQRVXYIGNIQQIZ-ROUUACIJSA-N 2 2 302.462 3.109 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)C1CCCC1 ZINC000666970660 436318028 /nfs/dbraw/zinc/31/80/28/436318028.db2.gz SHYJPMFLBRKZRT-HNNXBMFYSA-N 2 2 301.459 3.417 20 0 DGADLP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1OC ZINC000666992504 436320323 /nfs/dbraw/zinc/32/03/23/436320323.db2.gz PJSKHTTWEJOIOP-GOEBONIOSA-N 2 2 306.450 3.104 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1OC(F)F ZINC000662273239 436320871 /nfs/dbraw/zinc/32/08/71/436320871.db2.gz NBZQBMQQPRFCKZ-ZDUSSCGKSA-N 2 2 302.340 3.130 20 0 DGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1OC(F)F ZINC000662273239 436320877 /nfs/dbraw/zinc/32/08/77/436320877.db2.gz NBZQBMQQPRFCKZ-ZDUSSCGKSA-N 2 2 302.340 3.130 20 0 DGADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCc1nsc2ccccc21 ZINC000662286204 436323531 /nfs/dbraw/zinc/32/35/31/436323531.db2.gz POXKPJYOTYOCPJ-SFHVURJKSA-N 2 2 323.465 3.397 20 0 DGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C(C)C ZINC000662282611 436323964 /nfs/dbraw/zinc/32/39/64/436323964.db2.gz PCLFSJDXLWHASQ-RHSMWYFYSA-N 2 2 302.418 3.016 20 0 DGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000657847739 436324911 /nfs/dbraw/zinc/32/49/11/436324911.db2.gz ZCFCVQWVDTXCKK-QYZOEREBSA-N 2 2 313.489 3.460 20 0 DGADLP [NH3+][C@@H]1CCc2ccccc2N(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000662302493 436325341 /nfs/dbraw/zinc/32/53/41/436325341.db2.gz OAHQCODAMJCMIR-GOSISDBHSA-N 2 2 318.424 3.152 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320919 436331287 /nfs/dbraw/zinc/33/12/87/436331287.db2.gz FUJWSBHRQQWMSH-DZGCQCFKSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320919 436331290 /nfs/dbraw/zinc/33/12/90/436331290.db2.gz FUJWSBHRQQWMSH-DZGCQCFKSA-N 2 2 312.404 3.068 20 0 DGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCn2nccc21)c1ccccc1 ZINC000657881371 436331612 /nfs/dbraw/zinc/33/16/12/436331612.db2.gz NJZAUFYRIQMRDX-RDJZCZTQSA-N 2 2 312.461 3.437 20 0 DGADLP C[C@@H](CC1CCC1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000667057608 436331822 /nfs/dbraw/zinc/33/18/22/436331822.db2.gz AKGXBXQMBBLVAI-KRWDZBQOSA-N 3 2 315.505 3.148 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000657883229 436332885 /nfs/dbraw/zinc/33/28/85/436332885.db2.gz QYAYAFCKEODBPS-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000657883229 436332889 /nfs/dbraw/zinc/33/28/89/436332889.db2.gz QYAYAFCKEODBPS-SJLPKXTDSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)C[N@@H+]1Cc1ccccc1 ZINC000657904398 436337663 /nfs/dbraw/zinc/33/76/63/436337663.db2.gz LSIUFCRVQXNSDN-GOEBONIOSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657904398 436337666 /nfs/dbraw/zinc/33/76/66/436337666.db2.gz LSIUFCRVQXNSDN-GOEBONIOSA-N 2 2 308.416 3.327 20 0 DGADLP Cn1c(CCC[NH2+][C@H]2CCCSCC2)[nH+]c2ccccc21 ZINC000657919775 436340946 /nfs/dbraw/zinc/34/09/46/436340946.db2.gz QKLDULNIZUBBJN-AWEZNQCLSA-N 2 2 303.475 3.381 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658058836 436361364 /nfs/dbraw/zinc/36/13/64/436361364.db2.gz UZYSSIFCGMSVLI-HOCLYGCPSA-N 2 2 320.477 3.097 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658058836 436361368 /nfs/dbraw/zinc/36/13/68/436361368.db2.gz UZYSSIFCGMSVLI-HOCLYGCPSA-N 2 2 320.477 3.097 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059205 436361445 /nfs/dbraw/zinc/36/14/45/436361445.db2.gz VZSOEZAHDGYBFK-CVEARBPZSA-N 2 2 318.461 3.371 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000658059205 436361451 /nfs/dbraw/zinc/36/14/51/436361451.db2.gz VZSOEZAHDGYBFK-CVEARBPZSA-N 2 2 318.461 3.371 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658058051 436361793 /nfs/dbraw/zinc/36/17/93/436361793.db2.gz RQGVUFVFYKRVDM-GUYCJALGSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658058051 436361796 /nfs/dbraw/zinc/36/17/96/436361796.db2.gz RQGVUFVFYKRVDM-GUYCJALGSA-N 2 2 303.450 3.168 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658056972 436361824 /nfs/dbraw/zinc/36/18/24/436361824.db2.gz MUYYIDLMDIROPN-DZGCQCFKSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658056972 436361828 /nfs/dbraw/zinc/36/18/28/436361828.db2.gz MUYYIDLMDIROPN-DZGCQCFKSA-N 2 2 306.450 3.227 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059229 436362490 /nfs/dbraw/zinc/36/24/90/436362490.db2.gz WIWQNLIXHJHIJQ-MAUKXSAKSA-N 2 2 312.461 3.396 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(-n2cccn2)cc1 ZINC000658059229 436362492 /nfs/dbraw/zinc/36/24/92/436362492.db2.gz WIWQNLIXHJHIJQ-MAUKXSAKSA-N 2 2 312.461 3.396 20 0 DGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1F ZINC000658164897 436392932 /nfs/dbraw/zinc/39/29/32/436392932.db2.gz ARRFLXLYGHGPAH-VQIMIIECSA-N 2 2 320.452 3.366 20 0 DGADLP C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658214932 436402269 /nfs/dbraw/zinc/40/22/69/436402269.db2.gz DITOBSFJVVOBDW-AWEZNQCLSA-N 2 2 321.428 3.334 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000658238906 436408760 /nfs/dbraw/zinc/40/87/60/436408760.db2.gz MDNGUJTVRXVNFR-GOSISDBHSA-N 2 2 309.413 3.033 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCOC2(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC000658333692 436433162 /nfs/dbraw/zinc/43/31/62/436433162.db2.gz YQBHSQUNQRTALX-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCOC2(C)C)CCC[N@H+]1Cc1ccccc1 ZINC000658333692 436433165 /nfs/dbraw/zinc/43/31/65/436433165.db2.gz YQBHSQUNQRTALX-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000658337583 436434392 /nfs/dbraw/zinc/43/43/92/436434392.db2.gz VHSIMMCLBJHGHD-OQIJWPOYSA-N 2 2 324.472 3.266 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccn1C ZINC000658337583 436434396 /nfs/dbraw/zinc/43/43/96/436434396.db2.gz VHSIMMCLBJHGHD-OQIJWPOYSA-N 2 2 324.472 3.266 20 0 DGADLP Cc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658340974 436436359 /nfs/dbraw/zinc/43/63/59/436436359.db2.gz SMZTZTIUJYBSQV-YLJYHZDGSA-N 2 2 314.473 3.215 20 0 DGADLP c1sc(C2CC2)nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346593 436443775 /nfs/dbraw/zinc/44/37/75/436443775.db2.gz WFSRNXHRKGILLQ-AWEZNQCLSA-N 2 2 305.491 3.232 20 0 DGADLP c1sc(C2CC2)nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346593 436443777 /nfs/dbraw/zinc/44/37/77/436443777.db2.gz WFSRNXHRKGILLQ-AWEZNQCLSA-N 2 2 305.491 3.232 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658283222 436417351 /nfs/dbraw/zinc/41/73/51/436417351.db2.gz AYVBFMDGLDEEQO-YTQUADARSA-N 2 2 302.462 3.228 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658283222 436417353 /nfs/dbraw/zinc/41/73/53/436417353.db2.gz AYVBFMDGLDEEQO-YTQUADARSA-N 2 2 302.462 3.228 20 0 DGADLP Cc1cccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000658296258 436420580 /nfs/dbraw/zinc/42/05/80/436420580.db2.gz YHESLZWEGXQDLW-PXNSSMCTSA-N 2 2 316.489 3.159 20 0 DGADLP CC(C)[C@H]([NH3+])CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000663503035 436472549 /nfs/dbraw/zinc/47/25/49/436472549.db2.gz MIGDLIUNYDOWSD-GOSISDBHSA-N 3 2 323.912 3.267 20 0 DGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000663511043 436473127 /nfs/dbraw/zinc/47/31/27/436473127.db2.gz UXXXAJZXMNQINP-AWEZNQCLSA-N 2 2 302.393 3.102 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000663510086 436473421 /nfs/dbraw/zinc/47/34/21/436473421.db2.gz OYQUBFSVWNBLTR-MRXNPFEDSA-N 2 2 320.440 3.237 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000663514937 436473638 /nfs/dbraw/zinc/47/36/38/436473638.db2.gz WXIRURXOFGRSHH-RCMYXZNBSA-N 2 2 310.441 3.476 20 0 DGADLP Cc1[nH+]c2cc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)ccc2n1C ZINC000659251421 436483474 /nfs/dbraw/zinc/48/34/74/436483474.db2.gz FVSLPCNZCZXKMH-MRXNPFEDSA-N 2 2 320.396 3.055 20 0 DGADLP C[NH+](C)CCCC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663759045 436503022 /nfs/dbraw/zinc/50/30/22/436503022.db2.gz OKINOAFDXATNBO-UHFFFAOYSA-N 2 2 312.461 3.375 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000660010076 436578103 /nfs/dbraw/zinc/57/81/03/436578103.db2.gz FONMDLVXLLIUHM-DZGCQCFKSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000660010076 436578111 /nfs/dbraw/zinc/57/81/11/436578111.db2.gz FONMDLVXLLIUHM-DZGCQCFKSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1Cl ZINC000660010076 436578115 /nfs/dbraw/zinc/57/81/15/436578115.db2.gz FONMDLVXLLIUHM-DZGCQCFKSA-N 2 2 308.853 3.265 20 0 DGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000660010076 436578117 /nfs/dbraw/zinc/57/81/17/436578117.db2.gz FONMDLVXLLIUHM-DZGCQCFKSA-N 2 2 308.853 3.265 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009910 436578453 /nfs/dbraw/zinc/57/84/53/436578453.db2.gz CYMSALTTZAWGBE-BBRMVZONSA-N 2 2 301.459 3.212 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009910 436578456 /nfs/dbraw/zinc/57/84/56/436578456.db2.gz CYMSALTTZAWGBE-BBRMVZONSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009910 436578457 /nfs/dbraw/zinc/57/84/57/436578457.db2.gz CYMSALTTZAWGBE-BBRMVZONSA-N 2 2 301.459 3.212 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nsc4ccccc43)CC[C@@H]21 ZINC000660009910 436578460 /nfs/dbraw/zinc/57/84/60/436578460.db2.gz CYMSALTTZAWGBE-BBRMVZONSA-N 2 2 301.459 3.212 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814310 436533366 /nfs/dbraw/zinc/53/33/66/436533366.db2.gz MLHBAUQXUVMYDP-UWWQBHOKSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814310 436533370 /nfs/dbraw/zinc/53/33/70/436533370.db2.gz MLHBAUQXUVMYDP-UWWQBHOKSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814310 436533377 /nfs/dbraw/zinc/53/33/77/436533377.db2.gz MLHBAUQXUVMYDP-UWWQBHOKSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659814310 436533380 /nfs/dbraw/zinc/53/33/80/436533380.db2.gz MLHBAUQXUVMYDP-UWWQBHOKSA-N 2 2 320.477 3.069 20 0 DGADLP CCc1nnc([C@@H](C)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[nH]1 ZINC000659839625 436538782 /nfs/dbraw/zinc/53/87/82/436538782.db2.gz XWFCOCCURKCZIK-OAHLLOKOSA-N 2 2 319.497 3.016 20 0 DGADLP COc1cccc(SCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000659882239 436554094 /nfs/dbraw/zinc/55/40/94/436554094.db2.gz FRLJUUYDTDXATQ-HNNXBMFYSA-N 2 2 317.458 3.321 20 0 DGADLP COc1cccc(SCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000659882239 436554099 /nfs/dbraw/zinc/55/40/99/436554099.db2.gz FRLJUUYDTDXATQ-HNNXBMFYSA-N 2 2 317.458 3.321 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)c1 ZINC000659896306 436555984 /nfs/dbraw/zinc/55/59/84/436555984.db2.gz LSXYDRCVYLQSHF-INIZCTEOSA-N 2 2 304.478 3.087 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)c1 ZINC000659896306 436555986 /nfs/dbraw/zinc/55/59/86/436555986.db2.gz LSXYDRCVYLQSHF-INIZCTEOSA-N 2 2 304.478 3.087 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)sn1 ZINC000659927263 436560356 /nfs/dbraw/zinc/56/03/56/436560356.db2.gz GBSCWMHVLYXUSA-CABCVRRESA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)sn1 ZINC000659927263 436560358 /nfs/dbraw/zinc/56/03/58/436560358.db2.gz GBSCWMHVLYXUSA-CABCVRRESA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)sn1 ZINC000659927263 436560361 /nfs/dbraw/zinc/56/03/61/436560361.db2.gz GBSCWMHVLYXUSA-CABCVRRESA-N 2 2 323.506 3.238 20 0 DGADLP COc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)sn1 ZINC000659927263 436560364 /nfs/dbraw/zinc/56/03/64/436560364.db2.gz GBSCWMHVLYXUSA-CABCVRRESA-N 2 2 323.506 3.238 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929340 436560812 /nfs/dbraw/zinc/56/08/12/436560812.db2.gz RETDGDKSNNVVJC-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929340 436560815 /nfs/dbraw/zinc/56/08/15/436560815.db2.gz RETDGDKSNNVVJC-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929340 436560817 /nfs/dbraw/zinc/56/08/17/436560817.db2.gz RETDGDKSNNVVJC-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc(C)n1 ZINC000659929340 436560820 /nfs/dbraw/zinc/56/08/20/436560820.db2.gz RETDGDKSNNVVJC-SJLPKXTDSA-N 2 2 316.493 3.180 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@H]1CCCn2cc[nH+]c21)c1ccccc1 ZINC000655680538 436572953 /nfs/dbraw/zinc/57/29/53/436572953.db2.gz OSSSDXXLIYFTCZ-ZWKOTPCHSA-N 2 2 312.461 3.391 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000655686481 436573983 /nfs/dbraw/zinc/57/39/83/436573983.db2.gz IONVKBNFUBMQFW-WMLDXEAASA-N 2 2 301.459 3.305 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000655685883 436574090 /nfs/dbraw/zinc/57/40/90/436574090.db2.gz RWIIFGQDZQGHGL-AAEUAGOBSA-N 2 2 314.882 3.305 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@@H+]1C ZINC000659984948 436575277 /nfs/dbraw/zinc/57/52/77/436575277.db2.gz ZFVIPCPWYHSSCO-FZMZJTMJSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2OC(F)F)CC[N@H+]1C ZINC000659984948 436575279 /nfs/dbraw/zinc/57/52/79/436575279.db2.gz ZFVIPCPWYHSSCO-FZMZJTMJSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984948 436575282 /nfs/dbraw/zinc/57/52/82/436575282.db2.gz ZFVIPCPWYHSSCO-FZMZJTMJSA-N 2 2 316.367 3.342 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2OC(F)F)CC[NH+]1C ZINC000659984948 436575286 /nfs/dbraw/zinc/57/52/86/436575286.db2.gz ZFVIPCPWYHSSCO-FZMZJTMJSA-N 2 2 316.367 3.342 20 0 DGADLP COc1cccc(SCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000660127880 436592991 /nfs/dbraw/zinc/59/29/91/436592991.db2.gz FVTNEDGQJHYAAI-CQSZACIVSA-N 2 2 317.458 3.010 20 0 DGADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc[nH+]1 ZINC000664562012 436618035 /nfs/dbraw/zinc/61/80/35/436618035.db2.gz FKBHJQMQDCJZOU-GOSISDBHSA-N 2 2 322.456 3.499 20 0 DGADLP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nc[nH+]1 ZINC000664562012 436618039 /nfs/dbraw/zinc/61/80/39/436618039.db2.gz FKBHJQMQDCJZOU-GOSISDBHSA-N 2 2 322.456 3.499 20 0 DGADLP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000262050624 304851403 /nfs/dbraw/zinc/85/14/03/304851403.db2.gz CUGGHJZAOKYQFB-IXDOHACOSA-N 2 2 300.450 3.014 20 0 DGADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000344452845 312844705 /nfs/dbraw/zinc/84/47/05/312844705.db2.gz XJBXDCGMMRFDPO-LIMHQNJXSA-N 2 2 313.445 3.449 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000377118877 313019123 /nfs/dbraw/zinc/01/91/23/313019123.db2.gz ZYLUEVQFUVFPBP-GOSISDBHSA-N 2 2 313.445 3.284 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528745725 313071399 /nfs/dbraw/zinc/07/13/99/313071399.db2.gz QTGSFWVJVMZTRB-QGZVFWFLSA-N 2 2 301.409 3.370 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528745725 313071400 /nfs/dbraw/zinc/07/14/00/313071400.db2.gz QTGSFWVJVMZTRB-QGZVFWFLSA-N 2 2 301.409 3.370 20 0 DGADLP COc1cccc(C[C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000528750951 313073037 /nfs/dbraw/zinc/07/30/37/313073037.db2.gz RKPNQHYYPNFZOV-SFHVURJKSA-N 2 2 313.445 3.379 20 0 DGADLP COc1cccc(C[C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000528750951 313073041 /nfs/dbraw/zinc/07/30/41/313073041.db2.gz RKPNQHYYPNFZOV-SFHVURJKSA-N 2 2 313.445 3.379 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)nc1 ZINC000529566687 313229295 /nfs/dbraw/zinc/22/92/95/313229295.db2.gz LQNHPCCBUCYAKA-RTBURBONSA-N 2 2 322.387 3.436 20 0 DGADLP c1cc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2)ccn1 ZINC000530176833 313333890 /nfs/dbraw/zinc/33/38/90/313333890.db2.gz CWMLBHZIDNZRKZ-IBGZPJMESA-N 2 2 323.440 3.035 20 0 DGADLP Clc1ccc2cccnc2c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177352 313334188 /nfs/dbraw/zinc/33/41/88/313334188.db2.gz GMOWQAKJIOQELC-HNNXBMFYSA-N 2 2 301.821 3.262 20 0 DGADLP c1csc(-c2ncc(C[NH2+][C@H]3CC[NH2+]C34CCC4)s2)c1 ZINC000530179320 313334745 /nfs/dbraw/zinc/33/47/45/313334745.db2.gz STVWHDFZXCAMGT-ZDUSSCGKSA-N 2 2 305.472 3.246 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000530463097 313373195 /nfs/dbraw/zinc/37/31/95/313373195.db2.gz WFMXBAMWYFFYSD-JTQLQIEISA-N 2 2 311.216 3.111 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000530463097 313373197 /nfs/dbraw/zinc/37/31/97/313373197.db2.gz WFMXBAMWYFFYSD-JTQLQIEISA-N 2 2 311.216 3.111 20 0 DGADLP CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CCOCC1 ZINC000531962591 313505789 /nfs/dbraw/zinc/50/57/89/313505789.db2.gz SBZHYGYOTOCNOU-RBUKOAKNSA-N 2 2 304.478 3.393 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000532194940 313525801 /nfs/dbraw/zinc/52/58/01/313525801.db2.gz KCFIXAYXZRPWSD-MRXNPFEDSA-N 2 2 309.417 3.200 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cscn1 ZINC000534328312 313662908 /nfs/dbraw/zinc/66/29/08/313662908.db2.gz XIUMTGPXCVHKAW-LLVKDONJSA-N 2 2 302.378 3.319 20 0 DGADLP C[NH+]1CCC([N@H+](CCO)CC2CCC(C(C)(C)C)CC2)CC1 ZINC000541534344 314021024 /nfs/dbraw/zinc/02/10/24/314021024.db2.gz NEOAHINMVZVVCU-UHFFFAOYSA-N 2 2 310.526 3.227 20 0 DGADLP C[NH+]1CCC([N@@H+](CCO)CC2CCC(C(C)(C)C)CC2)CC1 ZINC000541534344 314021027 /nfs/dbraw/zinc/02/10/27/314021027.db2.gz NEOAHINMVZVVCU-UHFFFAOYSA-N 2 2 310.526 3.227 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000541558679 314022464 /nfs/dbraw/zinc/02/24/64/314022464.db2.gz QYNDESQUDCAUQF-XFKSJGNHSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000541558679 314022468 /nfs/dbraw/zinc/02/24/68/314022468.db2.gz QYNDESQUDCAUQF-XFKSJGNHSA-N 2 2 316.489 3.444 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC)c1ccn(C)n1 ZINC000544567852 314199291 /nfs/dbraw/zinc/19/92/91/314199291.db2.gz IZTRHDJIOSIKAK-YESZJQIVSA-N 2 2 306.498 3.361 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000544578624 314200210 /nfs/dbraw/zinc/20/02/10/314200210.db2.gz DXYKQAYNNJKOCE-HXUWFJFHSA-N 2 2 324.472 3.276 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939727 314277585 /nfs/dbraw/zinc/27/75/85/314277585.db2.gz OJDGREOXJIJYAO-UWVGGRQHSA-N 2 2 307.385 3.154 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc(C(F)(F)F)cs1 ZINC000545939727 314277586 /nfs/dbraw/zinc/27/75/86/314277586.db2.gz OJDGREOXJIJYAO-UWVGGRQHSA-N 2 2 307.385 3.154 20 0 DGADLP COc1nc2ccccc2cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000547405917 314364513 /nfs/dbraw/zinc/36/45/13/314364513.db2.gz RUVPJRUMXKBBNG-UHFFFAOYSA-N 2 2 313.445 3.161 20 0 DGADLP COc1nc2ccccc2cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000547405917 314364515 /nfs/dbraw/zinc/36/45/15/314364515.db2.gz RUVPJRUMXKBBNG-UHFFFAOYSA-N 2 2 313.445 3.161 20 0 DGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000547467058 314369905 /nfs/dbraw/zinc/36/99/05/314369905.db2.gz GDEBVTXLGGWFNC-GFCCVEGCSA-N 2 2 300.406 3.182 20 0 DGADLP CC1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000553315033 314639733 /nfs/dbraw/zinc/63/97/33/314639733.db2.gz MMERWWZOIKXSFI-UHFFFAOYSA-N 2 2 302.462 3.187 20 0 DGADLP CC[C@@H](Cc1ccccc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000558322878 314838224 /nfs/dbraw/zinc/83/82/24/314838224.db2.gz IIWLVMWUFUPCNA-INIZCTEOSA-N 2 2 320.396 3.475 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000560091729 314901568 /nfs/dbraw/zinc/90/15/68/314901568.db2.gz FTLBXVVAXVZFFS-VXGBXAGGSA-N 2 2 301.356 3.430 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC1Cc2ccccc2C1 ZINC000562202839 315000547 /nfs/dbraw/zinc/00/05/47/315000547.db2.gz VMJQHRBOJDAXSQ-UHFFFAOYSA-N 2 2 305.425 3.349 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000562515590 315025869 /nfs/dbraw/zinc/02/58/69/315025869.db2.gz BEEQOCIYRZAVKI-KCITZHQASA-N 2 2 302.462 3.369 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)CC ZINC000563423483 315114069 /nfs/dbraw/zinc/11/40/69/315114069.db2.gz NFKVCVAZJZBBOO-HNNXBMFYSA-N 2 2 303.450 3.082 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)CC ZINC000563423483 315114071 /nfs/dbraw/zinc/11/40/71/315114071.db2.gz NFKVCVAZJZBBOO-HNNXBMFYSA-N 2 2 303.450 3.082 20 0 DGADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2cnn(C)c2)c1 ZINC000563464635 315118564 /nfs/dbraw/zinc/11/85/64/315118564.db2.gz GGSBSRRFQCQBQY-UHFFFAOYSA-N 2 2 323.444 3.162 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccc2ccccc2c1 ZINC000563700833 315132464 /nfs/dbraw/zinc/13/24/64/315132464.db2.gz KDMTUJBMFULMBY-RTBURBONSA-N 2 2 310.441 3.388 20 0 DGADLP [NH3+]C[C@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc2ccccc2c1 ZINC000563700828 315132552 /nfs/dbraw/zinc/13/25/52/315132552.db2.gz KDMTUJBMFULMBY-OALUTQOASA-N 2 2 310.441 3.388 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000563728325 315134675 /nfs/dbraw/zinc/13/46/75/315134675.db2.gz CTHIDEXXISVPGV-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000563728325 315134677 /nfs/dbraw/zinc/13/46/77/315134677.db2.gz CTHIDEXXISVPGV-KRWDZBQOSA-N 2 2 322.880 3.335 20 0 DGADLP CCc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000563796241 315138236 /nfs/dbraw/zinc/13/82/36/315138236.db2.gz LARKQLAOPDYZGV-UHFFFAOYSA-N 2 2 313.445 3.034 20 0 DGADLP COc1cccc(C2(C[NH2+]Cc3c[nH+]c4c(C)cccn34)CC2)c1 ZINC000564412803 315174683 /nfs/dbraw/zinc/17/46/83/315174683.db2.gz BYLCWDOCYGPNOK-UHFFFAOYSA-N 2 2 321.424 3.473 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000564462904 315177845 /nfs/dbraw/zinc/17/78/45/315177845.db2.gz PITREERYBABSAH-CQSZACIVSA-N 2 2 312.417 3.280 20 0 DGADLP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000564462904 315177846 /nfs/dbraw/zinc/17/78/46/315177846.db2.gz PITREERYBABSAH-CQSZACIVSA-N 2 2 312.417 3.280 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000564482663 315179174 /nfs/dbraw/zinc/17/91/74/315179174.db2.gz SKNFQFABBDZDPD-IXDOHACOSA-N 2 2 313.445 3.322 20 0 DGADLP CC(C)c1[nH+]c(CN[C@H](c2[nH+]ccn2C)C2CC2)c2ccccn21 ZINC000564733563 315196028 /nfs/dbraw/zinc/19/60/28/315196028.db2.gz WVMCUZMMMXAWRL-KRWDZBQOSA-N 2 2 323.444 3.432 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000565219420 315243333 /nfs/dbraw/zinc/24/33/33/315243333.db2.gz VNPCDHNEVGRPET-QAPCUYQASA-N 2 2 310.445 3.100 20 0 DGADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000565219420 315243336 /nfs/dbraw/zinc/24/33/36/315243336.db2.gz VNPCDHNEVGRPET-QAPCUYQASA-N 2 2 310.445 3.100 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc(C2CC2)c1 ZINC000565373450 315257503 /nfs/dbraw/zinc/25/75/03/315257503.db2.gz WBGGTSXCFPSHBC-HXUWFJFHSA-N 2 2 314.473 3.251 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc(C2CC2)c1 ZINC000565373450 315257504 /nfs/dbraw/zinc/25/75/04/315257504.db2.gz WBGGTSXCFPSHBC-HXUWFJFHSA-N 2 2 314.473 3.251 20 0 DGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000565649190 315276887 /nfs/dbraw/zinc/27/68/87/315276887.db2.gz DMIQMPKDTCFLQX-IOJLRTSASA-N 2 2 314.473 3.342 20 0 DGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCC4(CCCO4)CC3)C2)cc1 ZINC000565649190 315276890 /nfs/dbraw/zinc/27/68/90/315276890.db2.gz DMIQMPKDTCFLQX-IOJLRTSASA-N 2 2 314.473 3.342 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000565743605 315284047 /nfs/dbraw/zinc/28/40/47/315284047.db2.gz LIVASFYULANCHZ-UHFFFAOYSA-N 2 2 313.420 3.284 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1Br ZINC000566059965 315307813 /nfs/dbraw/zinc/30/78/13/315307813.db2.gz KIRHMZBFPBTWGH-WBMJQRKESA-N 2 2 323.278 3.330 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1Br ZINC000566059965 315307814 /nfs/dbraw/zinc/30/78/14/315307814.db2.gz KIRHMZBFPBTWGH-WBMJQRKESA-N 2 2 323.278 3.330 20 0 DGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000566111444 315313506 /nfs/dbraw/zinc/31/35/06/315313506.db2.gz GHUKHNIGUWRVHZ-OXJNMPFZSA-N 2 2 321.424 3.127 20 0 DGADLP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1F ZINC000566338304 315336215 /nfs/dbraw/zinc/33/62/15/315336215.db2.gz AILKRENZRVVQPA-AUUYWEPGSA-N 2 2 320.452 3.244 20 0 DGADLP Clc1csc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000566487156 315352191 /nfs/dbraw/zinc/35/21/91/315352191.db2.gz OVQVUKIQKGEAFX-CQSZACIVSA-N 2 2 314.882 3.088 20 0 DGADLP Clc1csc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000566487156 315352194 /nfs/dbraw/zinc/35/21/94/315352194.db2.gz OVQVUKIQKGEAFX-CQSZACIVSA-N 2 2 314.882 3.088 20 0 DGADLP Cc1[nH]c(CN[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[nH+]c1C ZINC000566497276 315353505 /nfs/dbraw/zinc/35/35/05/315353505.db2.gz VEFPJRUWIMKGFO-YJBOKZPZSA-N 2 2 300.450 3.116 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000566912600 315382832 /nfs/dbraw/zinc/38/28/32/315382832.db2.gz ORLPBCTVXDJZCO-INIZCTEOSA-N 2 2 306.413 3.469 20 0 DGADLP COc1ccc([C@H]([NH2+]CCc2ccc(C)o2)[C@@H]2CCC[NH2+]2)cc1 ZINC000566967819 315386883 /nfs/dbraw/zinc/38/68/83/315386883.db2.gz JYFSTBJZCGWQBX-OALUTQOASA-N 2 2 314.429 3.222 20 0 DGADLP CC(C)c1[nH+]c(CN[C@@H]2C[C@H](C)n3cc[nH+]c32)c2ccccn21 ZINC000568522403 315518039 /nfs/dbraw/zinc/51/80/39/315518039.db2.gz TXERLMKPVISEAV-UONOGXRCSA-N 2 2 309.417 3.450 20 0 DGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000571404429 315718537 /nfs/dbraw/zinc/71/85/37/315718537.db2.gz ORFIFDBZWKSWKA-NWDGAFQWSA-N 2 2 303.631 3.072 20 0 DGADLP CCOc1cc(C[NH2+]CCCCn2cc[nH+]c2)cc(Cl)c1O ZINC000572553327 315800994 /nfs/dbraw/zinc/80/09/94/315800994.db2.gz VHTXGJMMHLZPLB-UHFFFAOYSA-N 2 2 323.824 3.211 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000575359789 316049937 /nfs/dbraw/zinc/04/99/37/316049937.db2.gz IGQKANFBDHNIFO-MJGOQNOKSA-N 2 2 310.445 3.045 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000575359789 316049939 /nfs/dbraw/zinc/04/99/39/316049939.db2.gz IGQKANFBDHNIFO-MJGOQNOKSA-N 2 2 310.445 3.045 20 0 DGADLP CC(C)c1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000575369762 316050822 /nfs/dbraw/zinc/05/08/22/316050822.db2.gz QDVHGQOMKCXGRS-AWEZNQCLSA-N 2 2 316.493 3.216 20 0 DGADLP CC(C)c1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000575369762 316050826 /nfs/dbraw/zinc/05/08/26/316050826.db2.gz QDVHGQOMKCXGRS-AWEZNQCLSA-N 2 2 316.493 3.216 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000575736537 316056716 /nfs/dbraw/zinc/05/67/16/316056716.db2.gz RNDPCNBQYQGKTN-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000575736537 316056720 /nfs/dbraw/zinc/05/67/20/316056720.db2.gz RNDPCNBQYQGKTN-HOTGVXAUSA-N 2 2 310.388 3.395 20 0 DGADLP COC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1 ZINC000576077628 316091399 /nfs/dbraw/zinc/09/13/99/316091399.db2.gz XOQLMVUKTZJZFP-INIZCTEOSA-N 2 2 319.836 3.350 20 0 DGADLP Cc1ccc2[nH+]c(CNC[C@@]3([NH+](C)C)CCC[C@H](C)C3)cn2c1 ZINC000576234686 316109187 /nfs/dbraw/zinc/10/91/87/316109187.db2.gz OIXROPRBDLXBPT-HNAYVOBHSA-N 2 2 314.477 3.243 20 0 DGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576594449 316147238 /nfs/dbraw/zinc/14/72/38/316147238.db2.gz ZKOSWQFDXUBWMK-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576594449 316147243 /nfs/dbraw/zinc/14/72/43/316147243.db2.gz ZKOSWQFDXUBWMK-CYBMUJFWSA-N 2 2 319.836 3.462 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000576695509 316157209 /nfs/dbraw/zinc/15/72/09/316157209.db2.gz CBFLVGSVZOANOG-GUYCJALGSA-N 2 2 315.461 3.000 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2coc(-c3ccc(C)cc3)n2)n1C ZINC000577651988 316256842 /nfs/dbraw/zinc/25/68/42/316256842.db2.gz YFMANKSGKUGCNM-UHFFFAOYSA-N 2 2 310.401 3.024 20 0 DGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000577741984 316266264 /nfs/dbraw/zinc/26/62/64/316266264.db2.gz PJDWDGKAMZVMLT-WCQYABFASA-N 2 2 312.841 3.059 20 0 DGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000577741984 316266269 /nfs/dbraw/zinc/26/62/69/316266269.db2.gz PJDWDGKAMZVMLT-WCQYABFASA-N 2 2 312.841 3.059 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)n1C ZINC000577963554 316289758 /nfs/dbraw/zinc/28/97/58/316289758.db2.gz DZDUWIFNEYOOQU-UHFFFAOYSA-N 2 2 320.234 3.270 20 0 DGADLP c1c2ccccc2oc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000578025967 316296325 /nfs/dbraw/zinc/29/63/25/316296325.db2.gz HNBDFSZEAUUXOJ-QGZVFWFLSA-N 2 2 314.429 3.120 20 0 DGADLP c1c2ccccc2oc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000578025967 316296329 /nfs/dbraw/zinc/29/63/29/316296329.db2.gz HNBDFSZEAUUXOJ-QGZVFWFLSA-N 2 2 314.429 3.120 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000578099829 316302753 /nfs/dbraw/zinc/30/27/53/316302753.db2.gz KDMDUFAUAYVHRV-UHFFFAOYSA-N 2 2 319.674 3.486 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000578099829 316302756 /nfs/dbraw/zinc/30/27/56/316302756.db2.gz KDMDUFAUAYVHRV-UHFFFAOYSA-N 2 2 319.674 3.486 20 0 DGADLP CCC1(CC)[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C[C@@H]1OC ZINC000181457229 323254957 /nfs/dbraw/zinc/25/49/57/323254957.db2.gz UPYKAYMUCZVQOH-HOTGVXAUSA-N 2 2 301.434 3.060 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C12CCC2 ZINC000181569044 323259409 /nfs/dbraw/zinc/25/94/09/323259409.db2.gz XGBDVYKVSBXDCJ-ROUUACIJSA-N 2 2 311.429 3.310 20 0 DGADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C12CCC2 ZINC000181586558 323259968 /nfs/dbraw/zinc/25/99/68/323259968.db2.gz IEVWZOYGPGUAFY-SJORKVTESA-N 2 2 313.445 3.433 20 0 DGADLP c1csc(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)c1 ZINC000182623527 323306892 /nfs/dbraw/zinc/30/68/92/323306892.db2.gz MIRFYZXBKWEXSQ-OAHLLOKOSA-N 2 2 305.447 3.016 20 0 DGADLP c1csc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)c1 ZINC000182623527 323306894 /nfs/dbraw/zinc/30/68/94/323306894.db2.gz MIRFYZXBKWEXSQ-OAHLLOKOSA-N 2 2 305.447 3.016 20 0 DGADLP Cn1ccnc1[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000183239452 323330966 /nfs/dbraw/zinc/33/09/66/323330966.db2.gz MBAVCZWJTHIHQO-QGZVFWFLSA-N 2 2 304.482 3.115 20 0 DGADLP Cn1ccnc1[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000183239452 323330969 /nfs/dbraw/zinc/33/09/69/323330969.db2.gz MBAVCZWJTHIHQO-QGZVFWFLSA-N 2 2 304.482 3.115 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000185303939 323386761 /nfs/dbraw/zinc/38/67/61/323386761.db2.gz JPCZFGMVCOGUJG-LZWOXQAQSA-N 2 2 320.452 3.228 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000185303939 323386763 /nfs/dbraw/zinc/38/67/63/323386763.db2.gz JPCZFGMVCOGUJG-LZWOXQAQSA-N 2 2 320.452 3.228 20 0 DGADLP C[NH+](C)Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000195479492 323491607 /nfs/dbraw/zinc/49/16/07/323491607.db2.gz AJRHFOPYFZBMEH-UHFFFAOYSA-N 2 2 320.396 3.186 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000386594017 323638534 /nfs/dbraw/zinc/63/85/34/323638534.db2.gz SGMLODLRHNCHRK-VQIMIIECSA-N 3 2 303.494 3.149 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)OCCCO2 ZINC000390880577 323668661 /nfs/dbraw/zinc/66/86/61/323668661.db2.gz UCXIDEOIJQEDBN-OAHLLOKOSA-N 2 2 315.417 3.175 20 0 DGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)Oc1cccc(Cl)c1 ZINC000582014442 324179827 /nfs/dbraw/zinc/17/98/27/324179827.db2.gz RZJRBEAVPRSGMJ-HNNXBMFYSA-N 2 2 307.825 3.329 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000582723723 324266722 /nfs/dbraw/zinc/26/67/22/324266722.db2.gz NUJDTYGGSAHYCK-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000582723723 324266726 /nfs/dbraw/zinc/26/67/26/324266726.db2.gz NUJDTYGGSAHYCK-IBGZPJMESA-N 2 2 311.429 3.182 20 0 DGADLP CC1(C)CCC[NH2+][C@H]1CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000583019032 324303444 /nfs/dbraw/zinc/30/34/44/324303444.db2.gz YMWRNXBVXLUYKC-JKSUJKDBSA-N 2 2 304.482 3.399 20 0 DGADLP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000583198135 324325418 /nfs/dbraw/zinc/32/54/18/324325418.db2.gz ICTDXRMXVFFQIN-RBUKOAKNSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000583211910 324326941 /nfs/dbraw/zinc/32/69/41/324326941.db2.gz HEXRXWRCATVZEJ-SCZZXKLOSA-N 2 2 303.269 3.131 20 0 DGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000583211910 324326944 /nfs/dbraw/zinc/32/69/44/324326944.db2.gz HEXRXWRCATVZEJ-SCZZXKLOSA-N 2 2 303.269 3.131 20 0 DGADLP COc1ccc2nc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)sc2c1 ZINC000583268787 324334025 /nfs/dbraw/zinc/33/40/25/324334025.db2.gz VGFRNIJEPGYJET-IUODEOHRSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)sc2c1 ZINC000583268787 324334026 /nfs/dbraw/zinc/33/40/26/324334026.db2.gz VGFRNIJEPGYJET-IUODEOHRSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)sc2c1 ZINC000583268787 324334029 /nfs/dbraw/zinc/33/40/29/324334029.db2.gz VGFRNIJEPGYJET-IUODEOHRSA-N 2 2 319.474 3.077 20 0 DGADLP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)sc2c1 ZINC000583268787 324334031 /nfs/dbraw/zinc/33/40/31/324334031.db2.gz VGFRNIJEPGYJET-IUODEOHRSA-N 2 2 319.474 3.077 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(C)s1 ZINC000583360239 324342942 /nfs/dbraw/zinc/34/29/42/324342942.db2.gz YFGMJUFHCVJZPD-ZDUSSCGKSA-N 2 2 308.491 3.050 20 0 DGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c(C)s1 ZINC000583360239 324342948 /nfs/dbraw/zinc/34/29/48/324342948.db2.gz YFGMJUFHCVJZPD-ZDUSSCGKSA-N 2 2 308.491 3.050 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000583361865 324343426 /nfs/dbraw/zinc/34/34/26/324343426.db2.gz KYELKRNCHQDAPN-IXDOHACOSA-N 2 2 316.493 3.053 20 0 DGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000583361865 324343429 /nfs/dbraw/zinc/34/34/29/324343429.db2.gz KYELKRNCHQDAPN-IXDOHACOSA-N 2 2 316.493 3.053 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+](C)CCC[NH+](C)C ZINC000583719919 324388554 /nfs/dbraw/zinc/38/85/54/324388554.db2.gz ISFXZJAETWXCOJ-UHFFFAOYSA-N 2 2 305.249 3.386 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000583719919 324388556 /nfs/dbraw/zinc/38/85/56/324388556.db2.gz ISFXZJAETWXCOJ-UHFFFAOYSA-N 2 2 305.249 3.386 20 0 DGADLP c1c[nH+]c([C@@H]2CCCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)[nH]1 ZINC000583912603 324413857 /nfs/dbraw/zinc/41/38/57/324413857.db2.gz HRYWLBPTWPBYKC-GFCCVEGCSA-N 2 2 318.384 3.218 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)CC)o1 ZINC000584389076 337247674 /nfs/dbraw/zinc/24/76/74/337247674.db2.gz KQOJIEGSVNKGHW-WBVHZDCISA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)CC)o1 ZINC000584389076 337247675 /nfs/dbraw/zinc/24/76/75/337247675.db2.gz KQOJIEGSVNKGHW-WBVHZDCISA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)CC)o1 ZINC000584389076 337247676 /nfs/dbraw/zinc/24/76/76/337247676.db2.gz KQOJIEGSVNKGHW-WBVHZDCISA-N 2 2 308.466 3.072 20 0 DGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)CC)o1 ZINC000584389076 337247677 /nfs/dbraw/zinc/24/76/77/337247677.db2.gz KQOJIEGSVNKGHW-WBVHZDCISA-N 2 2 308.466 3.072 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)n2)cc1 ZINC000584418315 337322802 /nfs/dbraw/zinc/32/28/02/337322802.db2.gz PETJFIPZGFNVDQ-CJNGLKHVSA-N 2 2 314.433 3.172 20 0 DGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)n2)cc1 ZINC000584418315 337322803 /nfs/dbraw/zinc/32/28/03/337322803.db2.gz PETJFIPZGFNVDQ-CJNGLKHVSA-N 2 2 314.433 3.172 20 0 DGADLP COc1ccccc1-c1nc(C[N@H+](C)CC(C)(C)C[NH3+])cs1 ZINC000430546327 533916273 /nfs/dbraw/zinc/91/62/73/533916273.db2.gz RWJRDQCBTDFKKG-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP COc1ccccc1-c1nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs1 ZINC000430546327 533916278 /nfs/dbraw/zinc/91/62/78/533916278.db2.gz RWJRDQCBTDFKKG-UHFFFAOYSA-N 2 2 319.474 3.235 20 0 DGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000415137643 533930988 /nfs/dbraw/zinc/93/09/88/533930988.db2.gz YDCLUZGSPRHXSE-JQWIXIFHSA-N 2 2 317.260 3.419 20 0 DGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000415137643 533930998 /nfs/dbraw/zinc/93/09/98/533930998.db2.gz YDCLUZGSPRHXSE-JQWIXIFHSA-N 2 2 317.260 3.419 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415056119 533931187 /nfs/dbraw/zinc/93/11/87/533931187.db2.gz PZLGUFQJIMVWNW-ZDUSSCGKSA-N 2 2 305.249 3.465 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ncc(Br)s1 ZINC000423512172 533994741 /nfs/dbraw/zinc/99/47/41/533994741.db2.gz UPAAYVGWPFDLCS-WCBMZHEXSA-N 2 2 318.284 3.074 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430656314 534128815 /nfs/dbraw/zinc/12/88/15/534128815.db2.gz SYAWKIBYGQGHHF-PBHICJAKSA-N 2 2 309.413 3.033 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000430656314 534128821 /nfs/dbraw/zinc/12/88/21/534128821.db2.gz SYAWKIBYGQGHHF-PBHICJAKSA-N 2 2 309.413 3.033 20 0 DGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000438117802 534187721 /nfs/dbraw/zinc/18/77/21/534187721.db2.gz MAKGCBCGGJTKNO-QUCCMNQESA-N 2 2 324.472 3.038 20 0 DGADLP Fc1cc(NC2CC[NH+](C3CC3)CC2)ccc1-n1cc[nH+]c1 ZINC000297632862 534448828 /nfs/dbraw/zinc/44/88/28/534448828.db2.gz HYTBEDHOCYAIDD-UHFFFAOYSA-N 2 2 300.381 3.050 20 0 DGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCC(C)CC1 ZINC000157576911 519795003 /nfs/dbraw/zinc/79/50/03/519795003.db2.gz YFNNAIDPMBGTHF-ZWKOTPCHSA-N 2 2 306.498 3.008 20 0 DGADLP CCCCN(C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163516223 520407565 /nfs/dbraw/zinc/40/75/65/520407565.db2.gz NPZHVCONTPGGHG-INIZCTEOSA-N 2 2 300.450 3.255 20 0 DGADLP CCCCN(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163516353 520411103 /nfs/dbraw/zinc/41/11/03/520411103.db2.gz NPZHVCONTPGGHG-MRXNPFEDSA-N 2 2 300.450 3.255 20 0 DGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000292819924 534493217 /nfs/dbraw/zinc/49/32/17/534493217.db2.gz AWRCDXYZMFEMSF-APWZRJJASA-N 2 2 320.452 3.369 20 0 DGADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)nc1 ZINC000427856860 534496144 /nfs/dbraw/zinc/49/61/44/534496144.db2.gz XOSBSMZYHNHAIA-QFBILLFUSA-N 2 2 322.387 3.111 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427853023 534504661 /nfs/dbraw/zinc/50/46/61/534504661.db2.gz NJYCTMRTRMSQJZ-TZMCWYRMSA-N 2 2 303.406 3.164 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427853014 534505380 /nfs/dbraw/zinc/50/53/80/534505380.db2.gz NJYCTMRTRMSQJZ-GXTWGEPZSA-N 2 2 303.406 3.164 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420365621 534639511 /nfs/dbraw/zinc/63/95/11/534639511.db2.gz LJMKRQUYUFYPMR-MRXNPFEDSA-N 2 2 317.477 3.035 20 0 DGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)C1CCCC1 ZINC000415044838 534677058 /nfs/dbraw/zinc/67/70/58/534677058.db2.gz CAKMBSYJGLXOBS-CYBMUJFWSA-N 2 2 307.488 3.479 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429192883 534681458 /nfs/dbraw/zinc/68/14/58/534681458.db2.gz SKZFLLGGFABZNY-RDJZCZTQSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429192883 534681460 /nfs/dbraw/zinc/68/14/60/534681460.db2.gz SKZFLLGGFABZNY-RDJZCZTQSA-N 2 2 315.461 3.360 20 0 DGADLP Cc1cnccc1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000294691170 534710965 /nfs/dbraw/zinc/71/09/65/534710965.db2.gz FZRKMNJWWVBHLY-INIZCTEOSA-N 2 2 301.459 3.378 20 0 DGADLP Cc1[nH+]cc(CNCC[NH+](C(C)C)C(C)C)n1-c1ccccc1 ZINC000321045574 534741743 /nfs/dbraw/zinc/74/17/43/534741743.db2.gz DFTGATLINCHGIY-UHFFFAOYSA-N 2 2 314.477 3.389 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422863752 534767125 /nfs/dbraw/zinc/76/71/25/534767125.db2.gz LULHOOJPHZLJKF-DTWYCDNDSA-N 3 2 310.445 3.114 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000331894961 526285901 /nfs/dbraw/zinc/28/59/01/526285901.db2.gz HZBUDCJOTPQHRU-UHFFFAOYSA-N 2 2 302.422 3.022 20 0 DGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000415052345 526697320 /nfs/dbraw/zinc/69/73/20/526697320.db2.gz KSFAZWDXDXNGDL-LBPRGKRZSA-N 2 2 303.219 3.051 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420263429 526756657 /nfs/dbraw/zinc/75/66/57/526756657.db2.gz SOPBOCJNYYDINU-ZIAGYGMSSA-N 2 2 316.493 3.117 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415039076 526863817 /nfs/dbraw/zinc/86/38/17/526863817.db2.gz ISFVWRXNSSEPDN-HIFRSBDPSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415039076 526863823 /nfs/dbraw/zinc/86/38/23/526863823.db2.gz ISFVWRXNSSEPDN-HIFRSBDPSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000414552211 527171869 /nfs/dbraw/zinc/17/18/69/527171869.db2.gz CMMUAKHKCWHIHS-UHFFFAOYSA-N 2 2 306.413 3.335 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000430556266 527258759 /nfs/dbraw/zinc/25/87/59/527258759.db2.gz KRNZRGRDNAXURU-UHFFFAOYSA-N 2 2 320.824 3.081 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000430556266 527258766 /nfs/dbraw/zinc/25/87/66/527258766.db2.gz KRNZRGRDNAXURU-UHFFFAOYSA-N 2 2 320.824 3.081 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C[C@H]1c1ccccc1 ZINC000297477616 527874789 /nfs/dbraw/zinc/87/47/89/527874789.db2.gz YZXHHFBEASDHIZ-CEXWTWQISA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C[C@H]1c1ccccc1 ZINC000297477616 527874794 /nfs/dbraw/zinc/87/47/94/527874794.db2.gz YZXHHFBEASDHIZ-CEXWTWQISA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C[C@H]1c1ccccc1 ZINC000297477618 527876756 /nfs/dbraw/zinc/87/67/56/527876756.db2.gz YZXHHFBEASDHIZ-GBESFXJTSA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C[C@H]1c1ccccc1 ZINC000297477618 527876762 /nfs/dbraw/zinc/87/67/62/527876762.db2.gz YZXHHFBEASDHIZ-GBESFXJTSA-N 2 2 316.489 3.005 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccccc1C ZINC000434979307 527899123 /nfs/dbraw/zinc/89/91/23/527899123.db2.gz SDSCSFRETYRXQW-MSOLQXFVSA-N 2 2 302.462 3.323 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccccc1C ZINC000434979307 527899128 /nfs/dbraw/zinc/89/91/28/527899128.db2.gz SDSCSFRETYRXQW-MSOLQXFVSA-N 2 2 302.462 3.323 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccccc1C ZINC000434979307 527899131 /nfs/dbraw/zinc/89/91/31/527899131.db2.gz SDSCSFRETYRXQW-MSOLQXFVSA-N 2 2 302.462 3.323 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccccc1C ZINC000434979307 527899136 /nfs/dbraw/zinc/89/91/36/527899136.db2.gz SDSCSFRETYRXQW-MSOLQXFVSA-N 2 2 302.462 3.323 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC000428360411 528096540 /nfs/dbraw/zinc/09/65/40/528096540.db2.gz LBESYOHGTXNTGJ-UHFFFAOYSA-N 2 2 321.513 3.262 20 0 DGADLP CCC[N@H+](Cc1ncc(-c2cccs2)o1)C1CC[NH2+]CC1 ZINC000431073352 528155108 /nfs/dbraw/zinc/15/51/08/528155108.db2.gz JQYQRBMTIFEEQW-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCC[N@@H+](Cc1ncc(-c2cccs2)o1)C1CC[NH2+]CC1 ZINC000431073352 528155112 /nfs/dbraw/zinc/15/51/12/528155112.db2.gz JQYQRBMTIFEEQW-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000432939036 528339064 /nfs/dbraw/zinc/33/90/64/528339064.db2.gz PIISOUSVPLMULG-UHFFFAOYSA-N 2 2 321.513 3.046 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000432939036 528339068 /nfs/dbraw/zinc/33/90/68/528339068.db2.gz PIISOUSVPLMULG-UHFFFAOYSA-N 2 2 321.513 3.046 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000431809057 528363256 /nfs/dbraw/zinc/36/32/56/528363256.db2.gz DMOUWUSKLJWGKD-WMZOPIPTSA-N 2 2 324.472 3.487 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000431809057 528363265 /nfs/dbraw/zinc/36/32/65/528363265.db2.gz DMOUWUSKLJWGKD-WMZOPIPTSA-N 2 2 324.472 3.487 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000430578614 528509678 /nfs/dbraw/zinc/50/96/78/528509678.db2.gz XDXQBVRHOXTBNJ-HNNXBMFYSA-N 2 2 305.397 3.286 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000430578614 528509682 /nfs/dbraw/zinc/50/96/82/528509682.db2.gz XDXQBVRHOXTBNJ-HNNXBMFYSA-N 2 2 305.397 3.286 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309800946 528569018 /nfs/dbraw/zinc/56/90/18/528569018.db2.gz JXCDILBGKULVIZ-SFHVURJKSA-N 2 2 304.478 3.303 20 0 DGADLP CCOCC(C)(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309800946 528569023 /nfs/dbraw/zinc/56/90/23/528569023.db2.gz JXCDILBGKULVIZ-SFHVURJKSA-N 2 2 304.478 3.303 20 0 DGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000428372570 528724913 /nfs/dbraw/zinc/72/49/13/528724913.db2.gz JHWPTDSYJVSDPL-ZFWWWQNUSA-N 2 2 302.422 3.215 20 0 DGADLP CCCc1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000428372570 528724917 /nfs/dbraw/zinc/72/49/17/528724917.db2.gz JHWPTDSYJVSDPL-ZFWWWQNUSA-N 2 2 302.422 3.215 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000322877014 528826674 /nfs/dbraw/zinc/82/66/74/528826674.db2.gz AIQCCVZEIABDDW-JKSUJKDBSA-N 2 2 312.461 3.163 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000322877014 528826678 /nfs/dbraw/zinc/82/66/78/528826678.db2.gz AIQCCVZEIABDDW-JKSUJKDBSA-N 2 2 312.461 3.163 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000430551026 528859511 /nfs/dbraw/zinc/85/95/11/528859511.db2.gz HKXMRYAFAANLPC-MRXNPFEDSA-N 2 2 307.438 3.412 20 0 DGADLP CC1(C)CCC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415139018 528971672 /nfs/dbraw/zinc/97/16/72/528971672.db2.gz WJJCJEQOEAWDJE-SFHVURJKSA-N 3 2 315.505 3.148 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000493763131 535152283 /nfs/dbraw/zinc/15/22/83/535152283.db2.gz DIBZTBYWYJKCCV-KBPBESRZSA-N 2 2 314.433 3.272 20 0 DGADLP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000495108088 535239515 /nfs/dbraw/zinc/23/95/15/535239515.db2.gz KYQBAKHMOVWXDO-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000495108088 535239520 /nfs/dbraw/zinc/23/95/20/535239520.db2.gz KYQBAKHMOVWXDO-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000495108088 535239521 /nfs/dbraw/zinc/23/95/21/535239521.db2.gz KYQBAKHMOVWXDO-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP CC(C)COc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000495108088 535239526 /nfs/dbraw/zinc/23/95/26/535239526.db2.gz KYQBAKHMOVWXDO-PKOBYXMFSA-N 2 2 302.462 3.247 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H]1SC ZINC000459384466 535503299 /nfs/dbraw/zinc/50/32/99/535503299.db2.gz CXQGJUVDNLYLMT-FJIDUMEYSA-N 2 2 322.518 3.096 20 0 DGADLP CCO[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000449496440 535631439 /nfs/dbraw/zinc/63/14/39/535631439.db2.gz JBZLTNZXUHGWTJ-CJNGLKHVSA-N 2 2 305.447 3.181 20 0 DGADLP CCO[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000449496440 535631447 /nfs/dbraw/zinc/63/14/47/535631447.db2.gz JBZLTNZXUHGWTJ-CJNGLKHVSA-N 2 2 305.447 3.181 20 0 DGADLP CCc1nocc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449350653 535906238 /nfs/dbraw/zinc/90/62/38/535906238.db2.gz KUDUMGBICIZTAQ-UHFFFAOYSA-N 2 2 316.792 3.366 20 0 DGADLP COC1(CC[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000452118474 536606985 /nfs/dbraw/zinc/60/69/85/536606985.db2.gz PDCSJYIBZWHMQE-UHFFFAOYSA-N 2 2 322.415 3.294 20 0 DGADLP COC1(CC[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000452118474 536606991 /nfs/dbraw/zinc/60/69/91/536606991.db2.gz PDCSJYIBZWHMQE-UHFFFAOYSA-N 2 2 322.415 3.294 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000449247445 536834247 /nfs/dbraw/zinc/83/42/47/536834247.db2.gz GGEDRICQKDIUCV-WQUXRXDGSA-N 2 2 316.489 3.302 20 0 DGADLP COCC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000449247445 536834250 /nfs/dbraw/zinc/83/42/50/536834250.db2.gz GGEDRICQKDIUCV-WQUXRXDGSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672402 545676535 /nfs/dbraw/zinc/67/65/35/545676535.db2.gz SGXKBCKCTVCBAP-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000040672402 545676539 /nfs/dbraw/zinc/67/65/39/545676539.db2.gz SGXKBCKCTVCBAP-DGCLKSJQSA-N 2 2 302.340 3.330 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cccc(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000090185246 545823385 /nfs/dbraw/zinc/82/33/85/545823385.db2.gz RXUHBPZNGCLSDQ-FQEVSTJZSA-N 2 2 324.468 3.322 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cccc(CO)c2)C[N@H+]1Cc1ccccc1 ZINC000090185246 545823388 /nfs/dbraw/zinc/82/33/88/545823388.db2.gz RXUHBPZNGCLSDQ-FQEVSTJZSA-N 2 2 324.468 3.322 20 0 DGADLP Cc1ncc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)s1 ZINC000090418593 545826992 /nfs/dbraw/zinc/82/69/92/545826992.db2.gz UKGKRLRXDQVTKO-GFCCVEGCSA-N 2 2 300.431 3.301 20 0 DGADLP C[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000120884592 545890734 /nfs/dbraw/zinc/89/07/34/545890734.db2.gz SPJJPHWLDYKRCH-FXAWDEMLSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000121679534 545897991 /nfs/dbraw/zinc/89/79/91/545897991.db2.gz SGMRTMADVHZBFB-MMOPVJDHSA-N 2 2 321.468 3.222 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000121679534 545897998 /nfs/dbraw/zinc/89/79/98/545897998.db2.gz SGMRTMADVHZBFB-MMOPVJDHSA-N 2 2 321.468 3.222 20 0 DGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)s2)cc1 ZINC000131385454 545956582 /nfs/dbraw/zinc/95/65/82/545956582.db2.gz NAJQHLKKKSQCLO-GOSISDBHSA-N 2 2 318.486 3.126 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000133895373 545969742 /nfs/dbraw/zinc/96/97/42/545969742.db2.gz DCDWOLLUQNCHFK-UZLBHIALSA-N 3 2 317.521 3.172 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCc4ccccc4C3)[nH+]c12 ZINC000156302232 546033133 /nfs/dbraw/zinc/03/31/33/546033133.db2.gz BFJGDERAPDPKSB-SFHVURJKSA-N 2 2 305.425 3.332 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ccc(C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000157093901 546038144 /nfs/dbraw/zinc/03/81/44/546038144.db2.gz UZITZDYGYWREPU-HIFRSBDPSA-N 2 2 311.267 3.317 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(Br)c2)CC[C@@H]1[NH3+] ZINC000157093901 546038148 /nfs/dbraw/zinc/03/81/48/546038148.db2.gz UZITZDYGYWREPU-HIFRSBDPSA-N 2 2 311.267 3.317 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157786249 546043518 /nfs/dbraw/zinc/04/35/18/546043518.db2.gz ALNLOPDUGWGNOJ-VQIMIIECSA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157786249 546043523 /nfs/dbraw/zinc/04/35/23/546043523.db2.gz ALNLOPDUGWGNOJ-VQIMIIECSA-N 2 2 300.446 3.147 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000163728896 546084355 /nfs/dbraw/zinc/08/43/55/546084355.db2.gz WSMIKLODSHSYDO-MRXNPFEDSA-N 2 2 316.489 3.327 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000163736899 546085185 /nfs/dbraw/zinc/08/51/85/546085185.db2.gz CWQWOADZLUIINZ-FQEVSTJZSA-N 2 2 316.489 3.017 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)c1 ZINC000166323759 546093839 /nfs/dbraw/zinc/09/38/39/546093839.db2.gz CUZATGFSKZGHNL-TZMCWYRMSA-N 2 2 303.431 3.120 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)co2)c1 ZINC000166323759 546093845 /nfs/dbraw/zinc/09/38/45/546093845.db2.gz CUZATGFSKZGHNL-TZMCWYRMSA-N 2 2 303.431 3.120 20 0 DGADLP CC1CC[NH+](CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166161309 546094944 /nfs/dbraw/zinc/09/49/44/546094944.db2.gz ITOBCSXKTWRNBV-ICSRJNTNSA-N 2 2 316.489 3.476 20 0 DGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166565062 546096564 /nfs/dbraw/zinc/09/65/64/546096564.db2.gz IENBLYMYHOBIFG-KZNAEPCWSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166565062 546096568 /nfs/dbraw/zinc/09/65/68/546096568.db2.gz IENBLYMYHOBIFG-KZNAEPCWSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166565062 546096569 /nfs/dbraw/zinc/09/65/69/546096569.db2.gz IENBLYMYHOBIFG-KZNAEPCWSA-N 3 2 307.526 3.103 20 0 DGADLP CC[C@@H]1CCC[NH+](C(C)(C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166565062 546096571 /nfs/dbraw/zinc/09/65/71/546096571.db2.gz IENBLYMYHOBIFG-KZNAEPCWSA-N 3 2 307.526 3.103 20 0 DGADLP COc1cc([C@H](C)[NH2+]CC[NH+]2CCCC2)ccc1OC(F)F ZINC000178308505 546128509 /nfs/dbraw/zinc/12/85/09/546128509.db2.gz FOEKUDUBJFKOBK-LBPRGKRZSA-N 2 2 314.376 3.043 20 0 DGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000179884868 546138480 /nfs/dbraw/zinc/13/84/80/546138480.db2.gz LITKKHRVIGGIIR-IRXDYDNUSA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000179884868 546138482 /nfs/dbraw/zinc/13/84/82/546138482.db2.gz LITKKHRVIGGIIR-IRXDYDNUSA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000179884868 546138484 /nfs/dbraw/zinc/13/84/84/546138484.db2.gz LITKKHRVIGGIIR-IRXDYDNUSA-N 2 2 318.509 3.069 20 0 DGADLP CCc1nn(C)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000179884868 546138488 /nfs/dbraw/zinc/13/84/88/546138488.db2.gz LITKKHRVIGGIIR-IRXDYDNUSA-N 2 2 318.509 3.069 20 0 DGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000179961283 546139727 /nfs/dbraw/zinc/13/97/27/546139727.db2.gz WVESWIQYIKJZKP-DOMZBBRYSA-N 2 2 304.463 3.267 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000228201248 546270015 /nfs/dbraw/zinc/27/00/15/546270015.db2.gz NSKVACBSIPUUNE-DZGCQCFKSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000228201248 546270019 /nfs/dbraw/zinc/27/00/19/546270019.db2.gz NSKVACBSIPUUNE-DZGCQCFKSA-N 2 2 301.459 3.288 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000236734848 546281075 /nfs/dbraw/zinc/28/10/75/546281075.db2.gz DZKNVEPRRQPFLE-UHFFFAOYSA-N 2 2 310.441 3.319 20 0 DGADLP CC(C)(C[NH2+]Cc1ccc(O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000236734848 546281077 /nfs/dbraw/zinc/28/10/77/546281077.db2.gz DZKNVEPRRQPFLE-UHFFFAOYSA-N 2 2 310.441 3.319 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000246856854 546306710 /nfs/dbraw/zinc/30/67/10/546306710.db2.gz QRZPXBCBTNAZSE-ULQDDVLXSA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000246856854 546306713 /nfs/dbraw/zinc/30/67/13/546306713.db2.gz QRZPXBCBTNAZSE-ULQDDVLXSA-N 2 2 306.450 3.210 20 0 DGADLP COCC[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280330551 546381527 /nfs/dbraw/zinc/38/15/27/546381527.db2.gz ZMLBUEJYWXOOGD-CQSZACIVSA-N 2 2 301.434 3.407 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220107 546402267 /nfs/dbraw/zinc/40/22/67/546402267.db2.gz SJYBRMXWRWLJOW-KGLIPLIRSA-N 2 2 304.463 3.034 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ncc[nH]1 ZINC000286220107 546402269 /nfs/dbraw/zinc/40/22/69/546402269.db2.gz SJYBRMXWRWLJOW-KGLIPLIRSA-N 2 2 304.463 3.034 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ncc[nH]1 ZINC000286292804 546402767 /nfs/dbraw/zinc/40/27/67/546402767.db2.gz WHPUKUFQRRTIGW-HNNXBMFYSA-N 2 2 324.428 3.486 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ncc[nH]1 ZINC000286292804 546402774 /nfs/dbraw/zinc/40/27/74/546402774.db2.gz WHPUKUFQRRTIGW-HNNXBMFYSA-N 2 2 324.428 3.486 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218103 546415754 /nfs/dbraw/zinc/41/57/54/546415754.db2.gz QPZSBQKMDOYAKO-AEFFLSMTSA-N 2 2 312.461 3.363 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC000290218103 546415756 /nfs/dbraw/zinc/41/57/56/546415756.db2.gz QPZSBQKMDOYAKO-AEFFLSMTSA-N 2 2 312.461 3.363 20 0 DGADLP C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305799009 546447165 /nfs/dbraw/zinc/44/71/65/546447165.db2.gz WOKOGZMNHMYHLQ-MRXNPFEDSA-N 2 2 321.424 3.258 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000336709205 546516149 /nfs/dbraw/zinc/51/61/49/546516149.db2.gz OCJISDLUHZNMCC-UHFFFAOYSA-N 2 2 317.296 3.475 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1 ZINC000355214208 546679315 /nfs/dbraw/zinc/67/93/15/546679315.db2.gz GVGRONSDSDIUGR-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1 ZINC000355214208 546679322 /nfs/dbraw/zinc/67/93/22/546679322.db2.gz GVGRONSDSDIUGR-UWJYYQICSA-N 2 2 323.484 3.433 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000379677999 546736141 /nfs/dbraw/zinc/73/61/41/546736141.db2.gz DRRCKKCVOFOPFA-QZTJIDSGSA-N 2 2 304.478 3.038 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000379677999 546736148 /nfs/dbraw/zinc/73/61/48/546736148.db2.gz DRRCKKCVOFOPFA-QZTJIDSGSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000381051768 546736976 /nfs/dbraw/zinc/73/69/76/546736976.db2.gz HJEBCQAQKDLITP-HRAATJIYSA-N 2 2 306.453 3.406 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000381051768 546736982 /nfs/dbraw/zinc/73/69/82/546736982.db2.gz HJEBCQAQKDLITP-HRAATJIYSA-N 2 2 306.453 3.406 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2nccn21 ZINC000453344662 546860013 /nfs/dbraw/zinc/86/00/13/546860013.db2.gz JBRZRJQXUOCFSQ-BGTYHANMSA-N 2 2 310.445 3.314 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2nccn21 ZINC000453344662 546860016 /nfs/dbraw/zinc/86/00/16/546860016.db2.gz JBRZRJQXUOCFSQ-BGTYHANMSA-N 2 2 310.445 3.314 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378994 546860475 /nfs/dbraw/zinc/86/04/75/546860475.db2.gz ZWZOSNQYJZWRLE-DZJYIKFMSA-N 3 2 313.489 3.037 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378994 546860479 /nfs/dbraw/zinc/86/04/79/546860479.db2.gz ZWZOSNQYJZWRLE-DZJYIKFMSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378994 546860482 /nfs/dbraw/zinc/86/04/82/546860482.db2.gz ZWZOSNQYJZWRLE-DZJYIKFMSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000453378994 546860486 /nfs/dbraw/zinc/86/04/86/546860486.db2.gz ZWZOSNQYJZWRLE-DZJYIKFMSA-N 3 2 313.489 3.037 20 0 DGADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)c(OC)c1 ZINC000667488669 547198921 /nfs/dbraw/zinc/19/89/21/547198921.db2.gz OGBWVXGUTSQYOZ-QGZVFWFLSA-N 2 2 315.417 3.083 20 0 DGADLP COc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)c(OC)c1 ZINC000667488669 547198928 /nfs/dbraw/zinc/19/89/28/547198928.db2.gz OGBWVXGUTSQYOZ-QGZVFWFLSA-N 2 2 315.417 3.083 20 0 DGADLP c1[nH+]c2n(c1C[NH+]1CCC(OCc3ccccc3)CC1)CCC2 ZINC000667491809 547199199 /nfs/dbraw/zinc/19/91/99/547199199.db2.gz ILHYOSMMCZVZEJ-UHFFFAOYSA-N 2 2 311.429 3.011 20 0 DGADLP Cc1ccccc1OCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667489865 547199820 /nfs/dbraw/zinc/19/98/20/547199820.db2.gz JRZUWQASPYDPGO-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1ccccc1OCC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667489865 547199824 /nfs/dbraw/zinc/19/98/24/547199824.db2.gz JRZUWQASPYDPGO-UHFFFAOYSA-N 2 2 322.412 3.087 20 0 DGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)n1C ZINC000667493788 547201044 /nfs/dbraw/zinc/20/10/44/547201044.db2.gz CGEHZEMUYBVEFP-UHFFFAOYSA-N 2 2 313.323 3.259 20 0 DGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)n1C ZINC000667493788 547201048 /nfs/dbraw/zinc/20/10/48/547201048.db2.gz CGEHZEMUYBVEFP-UHFFFAOYSA-N 2 2 313.323 3.259 20 0 DGADLP C[N@@H+](Cc1cccc(OC2CC2)c1F)C[C@H]1CCC[NH+](C)C1 ZINC000667517978 547209950 /nfs/dbraw/zinc/20/99/50/547209950.db2.gz LLGLPYDPMLTILW-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP C[N@H+](Cc1cccc(OC2CC2)c1F)C[C@H]1CCC[NH+](C)C1 ZINC000667517978 547209956 /nfs/dbraw/zinc/20/99/56/547209956.db2.gz LLGLPYDPMLTILW-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP C[NH+](Cc1cccc(OC2CC2)c1F)C[C@H]1CCC[N@H+](C)C1 ZINC000667517978 547209963 /nfs/dbraw/zinc/20/99/63/547209963.db2.gz LLGLPYDPMLTILW-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP C[NH+](Cc1cccc(OC2CC2)c1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000667517978 547209966 /nfs/dbraw/zinc/20/99/66/547209966.db2.gz LLGLPYDPMLTILW-AWEZNQCLSA-N 2 2 306.425 3.141 20 0 DGADLP COc1cccc(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000667568246 547230573 /nfs/dbraw/zinc/23/05/73/547230573.db2.gz YJBUUSVOEPMWAO-UHFFFAOYSA-N 2 2 311.429 3.218 20 0 DGADLP C[C@H]1c2ccccc2CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667603610 547240625 /nfs/dbraw/zinc/24/06/25/547240625.db2.gz NMSUDJHFGLNYHR-HNNXBMFYSA-N 2 2 304.397 3.387 20 0 DGADLP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667603610 547240628 /nfs/dbraw/zinc/24/06/28/547240628.db2.gz NMSUDJHFGLNYHR-HNNXBMFYSA-N 2 2 304.397 3.387 20 0 DGADLP FC(F)(F)C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668067497 547373899 /nfs/dbraw/zinc/37/38/99/547373899.db2.gz OEOAFNMIVWXJGV-LBPRGKRZSA-N 2 2 310.323 3.042 20 0 DGADLP FC(F)(F)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668067497 547373902 /nfs/dbraw/zinc/37/39/02/547373902.db2.gz OEOAFNMIVWXJGV-LBPRGKRZSA-N 2 2 310.323 3.042 20 0 DGADLP c1[nH+]c2n(c1C[N@@H+]1CC3(CCOCC3)[C@@H]1c1ccccc1)CCC2 ZINC000668238843 547426207 /nfs/dbraw/zinc/42/62/07/547426207.db2.gz AKKHRNFRKFJEGF-IBGZPJMESA-N 2 2 323.440 3.183 20 0 DGADLP c1[nH+]c2n(c1C[N@H+]1CC3(CCOCC3)[C@@H]1c1ccccc1)CCC2 ZINC000668238843 547426208 /nfs/dbraw/zinc/42/62/08/547426208.db2.gz AKKHRNFRKFJEGF-IBGZPJMESA-N 2 2 323.440 3.183 20 0 DGADLP CCCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCc2ncsc2C1 ZINC000668279076 547434918 /nfs/dbraw/zinc/43/49/18/547434918.db2.gz UPIZMUNBERFYEA-CQSZACIVSA-N 2 2 318.490 3.345 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1O ZINC000668432330 547455343 /nfs/dbraw/zinc/45/53/43/547455343.db2.gz PUHNDOKBVLWCFO-GDBMZVCRSA-N 2 2 320.477 3.184 20 0 DGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1O ZINC000668432330 547455346 /nfs/dbraw/zinc/45/53/46/547455346.db2.gz PUHNDOKBVLWCFO-GDBMZVCRSA-N 2 2 320.477 3.184 20 0 DGADLP c1coc(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000668462919 547460514 /nfs/dbraw/zinc/46/05/14/547460514.db2.gz KQRCHOWCYMEYNK-UHFFFAOYSA-N 2 2 308.385 3.240 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668618419 547495508 /nfs/dbraw/zinc/49/55/08/547495508.db2.gz QXOBHENJYPZXQQ-SJORKVTESA-N 2 2 304.478 3.423 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000668785808 547541529 /nfs/dbraw/zinc/54/15/29/547541529.db2.gz XTSLUGUOSQZRQH-MRXNPFEDSA-N 2 2 320.408 3.115 20 0 DGADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000668785808 547541531 /nfs/dbraw/zinc/54/15/31/547541531.db2.gz XTSLUGUOSQZRQH-MRXNPFEDSA-N 2 2 320.408 3.115 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC34CCOCC4)[nH+]c12 ZINC000669700428 547674229 /nfs/dbraw/zinc/67/42/29/547674229.db2.gz DVRBKYYWINLRJJ-KRWDZBQOSA-N 2 2 313.445 3.124 20 0 DGADLP C[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000670266401 547741412 /nfs/dbraw/zinc/74/14/12/547741412.db2.gz CGXFEQREEXSPAB-INIZCTEOSA-N 2 2 304.478 3.291 20 0 DGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671148299 547772307 /nfs/dbraw/zinc/77/23/07/547772307.db2.gz QLDASABDNZFXFU-OAHLLOKOSA-N 2 2 303.356 3.275 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC2(CC2)CC1 ZINC000671626241 547800614 /nfs/dbraw/zinc/80/06/14/547800614.db2.gz BSMQQIDQHKILEI-CQSZACIVSA-N 2 2 324.428 3.280 20 0 DGADLP COc1cccc(OC)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000671707644 547812521 /nfs/dbraw/zinc/81/25/21/547812521.db2.gz PXBHTMHTDLIOCG-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000672761009 547910376 /nfs/dbraw/zinc/91/03/76/547910376.db2.gz FSOLEXTUSYEWQO-QGZVFWFLSA-N 2 2 324.428 3.219 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000672761009 547910379 /nfs/dbraw/zinc/91/03/79/547910379.db2.gz FSOLEXTUSYEWQO-QGZVFWFLSA-N 2 2 324.428 3.219 20 0 DGADLP Cc1cccn2cc(CCNc3cc[nH+]c4ccccc34)[nH+]c12 ZINC000673817103 547999966 /nfs/dbraw/zinc/99/99/66/547999966.db2.gz LKSRRLKJPGHHBS-UHFFFAOYSA-N 2 2 302.381 3.267 20 0 DGADLP C[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000673957951 548016581 /nfs/dbraw/zinc/01/65/81/548016581.db2.gz GMYNTYIMVZQLSN-UHFFFAOYSA-N 2 2 315.392 3.197 20 0 DGADLP Cc1ccccc1-c1noc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000674373422 548073276 /nfs/dbraw/zinc/07/32/76/548073276.db2.gz KSUPSPNTAKWLHF-UHFFFAOYSA-N 2 2 323.400 3.148 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000675834564 548279823 /nfs/dbraw/zinc/27/98/23/548279823.db2.gz WXHVJIGGBQBJAZ-LPHOPBHVSA-N 2 2 300.446 3.147 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000675834564 548279832 /nfs/dbraw/zinc/27/98/32/548279832.db2.gz WXHVJIGGBQBJAZ-LPHOPBHVSA-N 2 2 300.446 3.147 20 0 DGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)[nH]n1 ZINC000675892524 548285629 /nfs/dbraw/zinc/28/56/29/548285629.db2.gz UEPKDRXXVOOXHI-UHFFFAOYSA-N 2 2 318.852 3.126 20 0 DGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCOCC1 ZINC000675919920 548291574 /nfs/dbraw/zinc/29/15/74/548291574.db2.gz PRBTWYVYHGLEGS-CRAIPNDOSA-N 2 2 313.445 3.109 20 0 DGADLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1CCOC1 ZINC000675917522 548291719 /nfs/dbraw/zinc/29/17/19/548291719.db2.gz CMVVDOOGMMYQQP-BZSNNMDCSA-N 2 2 313.445 3.109 20 0 DGADLP COC[C@H](CC(C)C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923099 548292281 /nfs/dbraw/zinc/29/22/81/548292281.db2.gz RNTVKFHMNJKSPF-ZWKOTPCHSA-N 2 2 315.461 3.355 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000675929529 548294420 /nfs/dbraw/zinc/29/44/20/548294420.db2.gz LMYGDCUERFJSAR-QGZVFWFLSA-N 2 2 308.853 3.028 20 0 DGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235789 548335905 /nfs/dbraw/zinc/33/59/05/548335905.db2.gz OCAWGVJLZYRFDG-FUHWJXTLSA-N 2 2 300.446 3.073 20 0 DGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000676235789 548335907 /nfs/dbraw/zinc/33/59/07/548335907.db2.gz OCAWGVJLZYRFDG-FUHWJXTLSA-N 2 2 300.446 3.073 20 0 DGADLP CC[N@@H+](Cc1nccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000676715736 548400744 /nfs/dbraw/zinc/40/07/44/548400744.db2.gz IAIMHRBMAXBQGE-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[N@H+](Cc1nccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000676715736 548400747 /nfs/dbraw/zinc/40/07/47/548400747.db2.gz IAIMHRBMAXBQGE-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1nccs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000676715736 548400752 /nfs/dbraw/zinc/40/07/52/548400752.db2.gz IAIMHRBMAXBQGE-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC[NH+](Cc1nccs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000676715736 548400756 /nfs/dbraw/zinc/40/07/56/548400756.db2.gz IAIMHRBMAXBQGE-KRWDZBQOSA-N 2 2 315.486 3.487 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000677749657 548550388 /nfs/dbraw/zinc/55/03/88/548550388.db2.gz MGUXTMWOMZBWRB-GBESFXJTSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000677749657 548550393 /nfs/dbraw/zinc/55/03/93/548550393.db2.gz MGUXTMWOMZBWRB-GBESFXJTSA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806685 548559247 /nfs/dbraw/zinc/55/92/47/548559247.db2.gz JOLHZGHOUQPAPI-CEXWTWQISA-N 2 2 316.489 3.180 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C[N@H+]1Cc1ccccc1 ZINC000677806685 548559251 /nfs/dbraw/zinc/55/92/51/548559251.db2.gz JOLHZGHOUQPAPI-CEXWTWQISA-N 2 2 316.489 3.180 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)c[nH+]1 ZINC000678235393 548648391 /nfs/dbraw/zinc/64/83/91/548648391.db2.gz IYIQCULVUWEFJY-CQSZACIVSA-N 2 2 302.447 3.444 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)c[nH+]1 ZINC000678235393 548648393 /nfs/dbraw/zinc/64/83/93/548648393.db2.gz IYIQCULVUWEFJY-CQSZACIVSA-N 2 2 302.447 3.444 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678340622 548682434 /nfs/dbraw/zinc/68/24/34/548682434.db2.gz YSJQXCGOWCLCRP-IFXJQAMLSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678340622 548682441 /nfs/dbraw/zinc/68/24/41/548682441.db2.gz YSJQXCGOWCLCRP-IFXJQAMLSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678340622 548682444 /nfs/dbraw/zinc/68/24/44/548682444.db2.gz YSJQXCGOWCLCRP-IFXJQAMLSA-N 2 2 310.445 3.012 20 0 DGADLP c1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678340622 548682448 /nfs/dbraw/zinc/68/24/48/548682448.db2.gz YSJQXCGOWCLCRP-IFXJQAMLSA-N 2 2 310.445 3.012 20 0 DGADLP Cn1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340602 548682724 /nfs/dbraw/zinc/68/27/24/548682724.db2.gz XIUDVCDTEIFETF-DNVCBOLYSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ccccc21 ZINC000678340602 548682727 /nfs/dbraw/zinc/68/27/27/548682727.db2.gz XIUDVCDTEIFETF-DNVCBOLYSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ccccc21 ZINC000678340602 548682729 /nfs/dbraw/zinc/68/27/29/548682729.db2.gz XIUDVCDTEIFETF-DNVCBOLYSA-N 2 2 324.472 3.022 20 0 DGADLP Cn1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ccccc21 ZINC000678340602 548682732 /nfs/dbraw/zinc/68/27/32/548682732.db2.gz XIUDVCDTEIFETF-DNVCBOLYSA-N 2 2 324.472 3.022 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1 ZINC000678428653 548702023 /nfs/dbraw/zinc/70/20/23/548702023.db2.gz RDXXIPOIWBHWAA-YJBOKZPZSA-N 2 2 306.413 3.450 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000678883825 548787494 /nfs/dbraw/zinc/78/74/94/548787494.db2.gz WCBRDBPCWZRBIV-OALUTQOASA-N 2 2 313.445 3.373 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000678883825 548787495 /nfs/dbraw/zinc/78/74/95/548787495.db2.gz WCBRDBPCWZRBIV-OALUTQOASA-N 2 2 313.445 3.373 20 0 DGADLP CCC[C@@H](C)C[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000678931322 548794961 /nfs/dbraw/zinc/79/49/61/548794961.db2.gz ZQSHTHJDWJQWCH-IEBWSBKVSA-N 2 2 304.478 3.039 20 0 DGADLP CCC[C@@H](C)C[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000678931322 548794964 /nfs/dbraw/zinc/79/49/64/548794964.db2.gz ZQSHTHJDWJQWCH-IEBWSBKVSA-N 2 2 304.478 3.039 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000678946154 548799037 /nfs/dbraw/zinc/79/90/37/548799037.db2.gz KYXARRVRTMDCFB-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCCOCC2)C[N@H+]1Cc1ccccc1 ZINC000678946154 548799038 /nfs/dbraw/zinc/79/90/38/548799038.db2.gz KYXARRVRTMDCFB-ZWKOTPCHSA-N 2 2 302.462 3.198 20 0 DGADLP C([NH2+]C1CC[NH+](C2CCC2)CC1)c1nc2c(s1)CCCC2 ZINC000678951762 548799961 /nfs/dbraw/zinc/79/99/61/548799961.db2.gz OQAPCIIMFRWSNJ-UHFFFAOYSA-N 2 2 305.491 3.128 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992444 548808263 /nfs/dbraw/zinc/80/82/63/548808263.db2.gz JPWPBLRABCLIOB-AWEZNQCLSA-N 2 2 307.507 3.186 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992444 548808265 /nfs/dbraw/zinc/80/82/65/548808265.db2.gz JPWPBLRABCLIOB-AWEZNQCLSA-N 2 2 307.507 3.186 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992444 548808268 /nfs/dbraw/zinc/80/82/68/548808268.db2.gz JPWPBLRABCLIOB-AWEZNQCLSA-N 2 2 307.507 3.186 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000678992444 548808272 /nfs/dbraw/zinc/80/82/72/548808272.db2.gz JPWPBLRABCLIOB-AWEZNQCLSA-N 2 2 307.507 3.186 20 0 DGADLP CCC[C@H](CC)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044163 548822298 /nfs/dbraw/zinc/82/22/98/548822298.db2.gz LNWBZCBFVXEZQE-OALUTQOASA-N 2 2 304.478 3.182 20 0 DGADLP CCC[C@H](CC)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044163 548822302 /nfs/dbraw/zinc/82/23/02/548822302.db2.gz LNWBZCBFVXEZQE-OALUTQOASA-N 2 2 304.478 3.182 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679573651 548919019 /nfs/dbraw/zinc/91/90/19/548919019.db2.gz BDKZXXCYEQAKCN-SNVBAGLBSA-N 2 2 319.371 3.359 20 0 DGADLP Cc1csc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000679574549 548919093 /nfs/dbraw/zinc/91/90/93/548919093.db2.gz KVWSBKLQEFVQBA-UHFFFAOYSA-N 2 2 321.412 3.000 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000679575585 548919759 /nfs/dbraw/zinc/91/97/59/548919759.db2.gz BHDRYIOVRJTOQU-UHFFFAOYSA-N 2 2 310.747 3.439 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000679718309 548944077 /nfs/dbraw/zinc/94/40/77/548944077.db2.gz AORVBDDLYNSQTQ-TZMCWYRMSA-N 2 2 303.837 3.461 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000679718309 548944080 /nfs/dbraw/zinc/94/40/80/548944080.db2.gz AORVBDDLYNSQTQ-TZMCWYRMSA-N 2 2 303.837 3.461 20 0 DGADLP Cc1cccn2cc(CC[NH2+][C@H](C)C3CCSCC3)[nH+]c12 ZINC000681742108 549248471 /nfs/dbraw/zinc/24/84/71/549248471.db2.gz FDPSGCMGHDSXMM-CQSZACIVSA-N 2 2 303.475 3.307 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)CCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000682075506 549285382 /nfs/dbraw/zinc/28/53/82/549285382.db2.gz HNQRXEQZANGRQY-XLIONFOSSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)CCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000682075506 549285388 /nfs/dbraw/zinc/28/53/88/549285388.db2.gz HNQRXEQZANGRQY-XLIONFOSSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075506 549285392 /nfs/dbraw/zinc/28/53/92/549285392.db2.gz HNQRXEQZANGRQY-XLIONFOSSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075506 549285397 /nfs/dbraw/zinc/28/53/97/549285397.db2.gz HNQRXEQZANGRQY-XLIONFOSSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)CCc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000682075511 549285493 /nfs/dbraw/zinc/28/54/93/549285493.db2.gz HNQRXEQZANGRQY-YLJYHZDGSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@@H]1C[C@H]([NH+](C)CCc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000682075511 549285498 /nfs/dbraw/zinc/28/54/98/549285498.db2.gz HNQRXEQZANGRQY-YLJYHZDGSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@@H]1C[C@H]([N@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075511 549285503 /nfs/dbraw/zinc/28/55/03/549285503.db2.gz HNQRXEQZANGRQY-YLJYHZDGSA-N 2 2 324.472 3.004 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+](C)CCc2cnccn2)CC[NH+]1Cc1ccccc1 ZINC000682075511 549285507 /nfs/dbraw/zinc/28/55/07/549285507.db2.gz HNQRXEQZANGRQY-YLJYHZDGSA-N 2 2 324.472 3.004 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)CC(C)(C)C ZINC000683007417 549413974 /nfs/dbraw/zinc/41/39/74/549413974.db2.gz ARJXDIBLBLMXDF-UHFFFAOYSA-N 2 2 301.434 3.021 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)CC(C)(C)C ZINC000683007417 549413977 /nfs/dbraw/zinc/41/39/77/549413977.db2.gz ARJXDIBLBLMXDF-UHFFFAOYSA-N 2 2 301.434 3.021 20 0 DGADLP Fc1cc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000683007395 549414000 /nfs/dbraw/zinc/41/40/00/549414000.db2.gz WDQQWUFUUVHUIA-CYBMUJFWSA-N 2 2 323.799 3.392 20 0 DGADLP Fc1cc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000683007395 549414003 /nfs/dbraw/zinc/41/40/03/549414003.db2.gz WDQQWUFUUVHUIA-CYBMUJFWSA-N 2 2 323.799 3.392 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000683476844 549492239 /nfs/dbraw/zinc/49/22/39/549492239.db2.gz OFLURTZZZCDXRG-MRXNPFEDSA-N 2 2 302.462 3.264 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000683476844 549492241 /nfs/dbraw/zinc/49/22/41/549492241.db2.gz OFLURTZZZCDXRG-MRXNPFEDSA-N 2 2 302.462 3.264 20 0 DGADLP c1c(CC[NH2+]Cc2ccc3cnccc3c2)[nH+]c2ccccn12 ZINC000683765232 549531838 /nfs/dbraw/zinc/53/18/38/549531838.db2.gz GWMIEOKXKUFJPD-UHFFFAOYSA-N 2 2 302.381 3.215 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684025671 549569184 /nfs/dbraw/zinc/56/91/84/549569184.db2.gz GWIDLUAPERVZRE-DOTOQJQBSA-N 2 2 310.397 3.101 20 0 DGADLP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684025671 549569188 /nfs/dbraw/zinc/56/91/88/549569188.db2.gz GWIDLUAPERVZRE-DOTOQJQBSA-N 2 2 310.397 3.101 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000684110787 549581115 /nfs/dbraw/zinc/58/11/15/549581115.db2.gz AYVVOUVNPKIXQQ-YJBOKZPZSA-N 2 2 302.462 3.263 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000684110787 549581118 /nfs/dbraw/zinc/58/11/18/549581118.db2.gz AYVVOUVNPKIXQQ-YJBOKZPZSA-N 2 2 302.462 3.263 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1 ZINC000684366206 549619272 /nfs/dbraw/zinc/61/92/72/549619272.db2.gz MKFFGWIJJISGIK-JKSUJKDBSA-N 2 2 301.434 3.282 20 0 DGADLP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000684367893 549620330 /nfs/dbraw/zinc/62/03/30/549620330.db2.gz XTCTZRSFBGJNMI-RTBURBONSA-N 2 2 313.445 3.226 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684377170 549622426 /nfs/dbraw/zinc/62/24/26/549622426.db2.gz BJEUKHNHDHWSBX-KRWDZBQOSA-N 2 2 312.413 3.445 20 0 DGADLP CC(C)n1nccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684381172 549624509 /nfs/dbraw/zinc/62/45/09/549624509.db2.gz CXAQKSVZBRFPKJ-GOSISDBHSA-N 2 2 323.444 3.271 20 0 DGADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cscc2Cl)CC1 ZINC000684428057 549636005 /nfs/dbraw/zinc/63/60/05/549636005.db2.gz FBCQHLIJANSWTF-UHFFFAOYSA-N 2 2 323.849 3.127 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000684821818 549702171 /nfs/dbraw/zinc/70/21/71/549702171.db2.gz ZLAXBOIHPZXVCX-UHFFFAOYSA-N 2 2 320.396 3.182 20 0 DGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCc3cccnc32)c[nH+]1 ZINC000684953147 549724106 /nfs/dbraw/zinc/72/41/06/549724106.db2.gz AHAGNTOWRFCOIC-LJQANCHMSA-N 2 2 318.424 3.494 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470697 549767727 /nfs/dbraw/zinc/76/77/27/549767727.db2.gz JYEFSGKHDSLIPB-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470697 549767728 /nfs/dbraw/zinc/76/77/28/549767728.db2.gz JYEFSGKHDSLIPB-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470697 549767731 /nfs/dbraw/zinc/76/77/31/549767731.db2.gz JYEFSGKHDSLIPB-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1 ZINC000685470697 549767732 /nfs/dbraw/zinc/76/77/32/549767732.db2.gz JYEFSGKHDSLIPB-IUODEOHRSA-N 2 2 313.367 3.017 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000685571664 549776003 /nfs/dbraw/zinc/77/60/03/549776003.db2.gz CXUAKSCMJJTMPP-RDTXWAMCSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000685571664 549776005 /nfs/dbraw/zinc/77/60/05/549776005.db2.gz CXUAKSCMJJTMPP-RDTXWAMCSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1cccnc1C(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000685664950 549786891 /nfs/dbraw/zinc/78/68/91/549786891.db2.gz WRITWXBONGURPK-UHFFFAOYSA-N 2 2 324.472 3.321 20 0 DGADLP CCCC[N@@H+]1CCCC[C@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190839 574606779 /nfs/dbraw/zinc/60/67/79/574606779.db2.gz NWZGJKNWHGQSJW-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP CCCC[N@H+]1CCCC[C@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190839 574606781 /nfs/dbraw/zinc/60/67/81/574606781.db2.gz NWZGJKNWHGQSJW-INIZCTEOSA-N 2 2 317.481 3.143 20 0 DGADLP CCCCCC[N@H+](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000735651453 574710616 /nfs/dbraw/zinc/71/06/16/574710616.db2.gz ZHYOINXSOLNWNZ-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP CCCCCC[N@@H+](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000735651453 574710619 /nfs/dbraw/zinc/71/06/19/574710619.db2.gz ZHYOINXSOLNWNZ-UHFFFAOYSA-N 2 2 314.433 3.323 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1C ZINC000741024782 574949505 /nfs/dbraw/zinc/94/95/05/574949505.db2.gz ZPATWBJICCNLKA-NFAWXSAZSA-N 2 2 320.433 3.012 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378812 574994150 /nfs/dbraw/zinc/99/41/50/574994150.db2.gz ZFYFIUYPYZFTQQ-WBVHZDCISA-N 2 2 301.478 3.500 20 0 DGADLP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1OC ZINC000729681406 575259869 /nfs/dbraw/zinc/25/98/69/575259869.db2.gz AFORYBAKVIFIOT-KRWDZBQOSA-N 2 2 320.477 3.448 20 0 DGADLP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1OC ZINC000729681406 575259870 /nfs/dbraw/zinc/25/98/70/575259870.db2.gz AFORYBAKVIFIOT-KRWDZBQOSA-N 2 2 320.477 3.448 20 0 DGADLP CCCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C)o1 ZINC000746657707 575466754 /nfs/dbraw/zinc/46/67/54/575466754.db2.gz HEFRTZQPIVVFQA-IAGOWNOFSA-N 2 2 308.466 3.208 20 0 DGADLP CCCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1ccc(C)o1 ZINC000746657707 575466756 /nfs/dbraw/zinc/46/67/56/575466756.db2.gz HEFRTZQPIVVFQA-IAGOWNOFSA-N 2 2 308.466 3.208 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669506 575531302 /nfs/dbraw/zinc/53/13/02/575531302.db2.gz PTWHPTYMKSGKDN-KSSFIOAISA-N 2 2 322.880 3.322 20 0 DGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000747669506 575531305 /nfs/dbraw/zinc/53/13/05/575531305.db2.gz PTWHPTYMKSGKDN-KSSFIOAISA-N 2 2 322.880 3.322 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000748048426 575558425 /nfs/dbraw/zinc/55/84/25/575558425.db2.gz MICAQZFMYLBNRR-HOCLYGCPSA-N 2 2 303.475 3.247 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310280720 575930789 /nfs/dbraw/zinc/93/07/89/575930789.db2.gz WFTCLVDGRABQNM-FGTMMUONSA-N 2 2 323.440 3.413 20 0 DGADLP COc1ccc[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310280720 575930794 /nfs/dbraw/zinc/93/07/94/575930794.db2.gz WFTCLVDGRABQNM-FGTMMUONSA-N 2 2 323.440 3.413 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000398042644 575960039 /nfs/dbraw/zinc/96/00/39/575960039.db2.gz TXZCSIPCXDTWLG-XGXHKWSGSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000398042644 575960042 /nfs/dbraw/zinc/96/00/42/575960042.db2.gz TXZCSIPCXDTWLG-XGXHKWSGSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000398042643 575960111 /nfs/dbraw/zinc/96/01/11/575960111.db2.gz TXZCSIPCXDTWLG-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000398042643 575960114 /nfs/dbraw/zinc/96/01/14/575960114.db2.gz TXZCSIPCXDTWLG-QXCFHYIPSA-N 2 2 302.462 3.197 20 0 DGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000748048428 576059579 /nfs/dbraw/zinc/05/95/79/576059579.db2.gz MICAQZFMYLBNRR-ZBFHGGJFSA-N 2 2 303.475 3.247 20 0 DGADLP CCc1cccc(NC(=O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000917138125 620658297 /nfs/dbraw/zinc/65/82/97/620658297.db2.gz XTEGQUYUJKGDRL-UHFFFAOYSA-N 2 2 317.477 3.040 20 0 DGADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000806131695 617665880 /nfs/dbraw/zinc/66/58/80/617665880.db2.gz LTTPHGJFPCDAHX-AWEZNQCLSA-N 2 2 316.836 3.087 20 0 DGADLP CC(C)C[C@@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)n1cc[nH+]c1 ZINC000924047254 617722070 /nfs/dbraw/zinc/72/20/70/617722070.db2.gz DSHOTSCGTJOVHI-HNNXBMFYSA-N 2 2 322.372 3.216 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101724 617962198 /nfs/dbraw/zinc/96/21/98/617962198.db2.gz BSTMZWAAEJCRBY-CRAIPNDOSA-N 2 2 318.509 3.382 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101724 617962203 /nfs/dbraw/zinc/96/22/03/617962203.db2.gz BSTMZWAAEJCRBY-CRAIPNDOSA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101724 617962207 /nfs/dbraw/zinc/96/22/07/617962207.db2.gz BSTMZWAAEJCRBY-CRAIPNDOSA-N 2 2 318.509 3.382 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C2CCCC2)C[C@H]1C ZINC000892101724 617962210 /nfs/dbraw/zinc/96/22/10/617962210.db2.gz BSTMZWAAEJCRBY-CRAIPNDOSA-N 2 2 318.509 3.382 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000892114162 617965326 /nfs/dbraw/zinc/96/53/26/617965326.db2.gz MDYYBCMVDWXTSP-QGZVFWFLSA-N 2 2 306.498 3.387 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000892114162 617965329 /nfs/dbraw/zinc/96/53/29/617965329.db2.gz MDYYBCMVDWXTSP-QGZVFWFLSA-N 2 2 306.498 3.387 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000892114162 617965330 /nfs/dbraw/zinc/96/53/30/617965330.db2.gz MDYYBCMVDWXTSP-QGZVFWFLSA-N 2 2 306.498 3.387 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000892114162 617965332 /nfs/dbraw/zinc/96/53/32/617965332.db2.gz MDYYBCMVDWXTSP-QGZVFWFLSA-N 2 2 306.498 3.387 20 0 DGADLP c1cc2c(c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234839 617991301 /nfs/dbraw/zinc/99/13/01/617991301.db2.gz IZBGKRWIHWNWTI-QFBILLFUSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c1)OCC2 ZINC000892234839 617991305 /nfs/dbraw/zinc/99/13/05/617991305.db2.gz IZBGKRWIHWNWTI-QFBILLFUSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c1)OCC2 ZINC000892234839 617991307 /nfs/dbraw/zinc/99/13/07/617991307.db2.gz IZBGKRWIHWNWTI-QFBILLFUSA-N 2 2 312.457 3.070 20 0 DGADLP c1cc2c(c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c1)OCC2 ZINC000892234839 617991309 /nfs/dbraw/zinc/99/13/09/617991309.db2.gz IZBGKRWIHWNWTI-QFBILLFUSA-N 2 2 312.457 3.070 20 0 DGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000926518257 618038564 /nfs/dbraw/zinc/03/85/64/618038564.db2.gz JVPMMFBUHIDEBI-DZFIZOCASA-N 2 2 316.489 3.302 20 0 DGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000926518257 618038573 /nfs/dbraw/zinc/03/85/73/618038573.db2.gz JVPMMFBUHIDEBI-DZFIZOCASA-N 2 2 316.489 3.302 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000892650697 618126576 /nfs/dbraw/zinc/12/65/76/618126576.db2.gz PMOYZWIKPKSDOR-OBJOEFQTSA-N 2 2 314.271 3.061 20 0 DGADLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000920094577 620782496 /nfs/dbraw/zinc/78/24/96/620782496.db2.gz GHQLMPYOVJAXFD-NVXWUHKLSA-N 2 2 316.445 3.272 20 0 DGADLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)c1cc2ccccc2o1 ZINC000920094577 620782499 /nfs/dbraw/zinc/78/24/99/620782499.db2.gz GHQLMPYOVJAXFD-NVXWUHKLSA-N 2 2 316.445 3.272 20 0 DGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000894495896 618358991 /nfs/dbraw/zinc/35/89/91/618358991.db2.gz NCWSQVGDHMIHCN-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cn1 ZINC000894495896 618358997 /nfs/dbraw/zinc/35/89/97/618358997.db2.gz NCWSQVGDHMIHCN-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000894495896 618359006 /nfs/dbraw/zinc/35/90/06/618359006.db2.gz NCWSQVGDHMIHCN-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CC(C)Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000894495896 618359013 /nfs/dbraw/zinc/35/90/13/618359013.db2.gz NCWSQVGDHMIHCN-PKOBYXMFSA-N 2 2 301.478 3.196 20 0 DGADLP CCn1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)n1 ZINC000893078741 618415246 /nfs/dbraw/zinc/41/52/46/618415246.db2.gz GFSVZSIOKKKWIE-GOSISDBHSA-N 2 2 323.444 3.019 20 0 DGADLP COc1ccc(CC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])cc1F ZINC000925480571 620804510 /nfs/dbraw/zinc/80/45/10/620804510.db2.gz WRISEBUKHNRLRZ-SCLBCKFNSA-N 2 2 302.393 3.055 20 0 DGADLP Cc1n[nH]c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000894747539 618443532 /nfs/dbraw/zinc/44/35/32/618443532.db2.gz KEWIKZYLZCSJPR-HXUWFJFHSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1n[nH]c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC000894747539 618443537 /nfs/dbraw/zinc/44/35/37/618443537.db2.gz KEWIKZYLZCSJPR-HXUWFJFHSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1n[nH]c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747539 618443541 /nfs/dbraw/zinc/44/35/41/618443541.db2.gz KEWIKZYLZCSJPR-HXUWFJFHSA-N 2 2 324.472 3.125 20 0 DGADLP Cc1n[nH]c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000894747539 618443543 /nfs/dbraw/zinc/44/35/43/618443543.db2.gz KEWIKZYLZCSJPR-HXUWFJFHSA-N 2 2 324.472 3.125 20 0 DGADLP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)C(=O)OC(C)(C)C ZINC000893186994 618466520 /nfs/dbraw/zinc/46/65/20/618466520.db2.gz JZGJMQMIOWQJJQ-GTPINHCMSA-N 2 2 324.509 3.349 20 0 DGADLP COCc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000925098117 618493770 /nfs/dbraw/zinc/49/37/70/618493770.db2.gz RJRCBTQDFMIUQD-QZTJIDSGSA-N 2 2 306.425 3.079 20 0 DGADLP COCc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1F ZINC000925098117 618493773 /nfs/dbraw/zinc/49/37/73/618493773.db2.gz RJRCBTQDFMIUQD-QZTJIDSGSA-N 2 2 306.425 3.079 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000925658768 618522166 /nfs/dbraw/zinc/52/21/66/618522166.db2.gz UQMQZHXUKYHSCC-MZPVMMEZSA-N 2 2 322.811 3.191 20 0 DGADLP Cc1csc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000895110158 618538940 /nfs/dbraw/zinc/53/89/40/618538940.db2.gz BTTVBRUZTHXFDV-HDJSIYSDSA-N 2 2 302.447 3.123 20 0 DGADLP Cc1ncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895111077 618540067 /nfs/dbraw/zinc/54/00/67/618540067.db2.gz KUAWOJQDVYWKTA-HDJSIYSDSA-N 2 2 302.447 3.123 20 0 DGADLP C[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)O1 ZINC000895112239 618540346 /nfs/dbraw/zinc/54/03/46/618540346.db2.gz PGADICVAYCXQLD-XABIJQAGSA-N 2 2 303.450 3.114 20 0 DGADLP CC[C@@H](C)[C@@H](CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)OC ZINC000895111835 618540685 /nfs/dbraw/zinc/54/06/85/618540685.db2.gz LRFDCTQWYTYOJM-QBPKDAKJSA-N 2 2 305.466 3.219 20 0 DGADLP C[C@H](CSCCF)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114307 618541000 /nfs/dbraw/zinc/54/10/00/618541000.db2.gz LNRPVPYNQDZCGG-RBSFLKMASA-N 2 2 311.470 3.249 20 0 DGADLP C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895114310 618541072 /nfs/dbraw/zinc/54/10/72/618541072.db2.gz LPAKZJZLNOJFAA-KLHDSHLOSA-N 2 2 305.491 3.442 20 0 DGADLP CCc1cc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)nc(CC)[nH+]1 ZINC000895228047 618577528 /nfs/dbraw/zinc/57/75/28/618577528.db2.gz TVUXDMIDSKJRFA-UHFFFAOYSA-N 2 2 313.449 3.325 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c(C)s1 ZINC000925797717 618621951 /nfs/dbraw/zinc/62/19/51/618621951.db2.gz VEHAQEJWXBDYGN-DZGCQCFKSA-N 2 2 308.491 3.174 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OCC(F)F)CC1 ZINC000893918060 618675912 /nfs/dbraw/zinc/67/59/12/618675912.db2.gz GFSGVVUBUNWZMP-UHFFFAOYSA-N 2 2 312.404 3.247 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCC(F)F)CC1 ZINC000893918060 618675914 /nfs/dbraw/zinc/67/59/14/618675914.db2.gz GFSGVVUBUNWZMP-UHFFFAOYSA-N 2 2 312.404 3.247 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044869 618698870 /nfs/dbraw/zinc/69/88/70/618698870.db2.gz LVIRMHCQOLLNAX-WBVHZDCISA-N 2 2 320.477 3.317 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044869 618698872 /nfs/dbraw/zinc/69/88/72/618698872.db2.gz LVIRMHCQOLLNAX-WBVHZDCISA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044869 618698874 /nfs/dbraw/zinc/69/88/74/618698874.db2.gz LVIRMHCQOLLNAX-WBVHZDCISA-N 2 2 320.477 3.317 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2OC)C[C@H]1C ZINC000894044869 618698875 /nfs/dbraw/zinc/69/88/75/618698875.db2.gz LVIRMHCQOLLNAX-WBVHZDCISA-N 2 2 320.477 3.317 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(F)cc2C)CC1 ZINC000894081466 618703846 /nfs/dbraw/zinc/70/38/46/618703846.db2.gz YPAIZSVVBKLJMY-UHFFFAOYSA-N 2 2 315.392 3.276 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cnc[nH]2)C1 ZINC000894184622 618725553 /nfs/dbraw/zinc/72/55/53/618725553.db2.gz AJLXBTGXXJLROH-HOTGVXAUSA-N 2 2 312.461 3.177 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000894208595 618730292 /nfs/dbraw/zinc/73/02/92/618730292.db2.gz JVNUPGUKCWEART-AWEZNQCLSA-N 2 2 305.447 3.046 20 0 DGADLP Cc1ncoc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000894208595 618730294 /nfs/dbraw/zinc/73/02/94/618730294.db2.gz JVNUPGUKCWEART-AWEZNQCLSA-N 2 2 305.447 3.046 20 0 DGADLP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000894226330 618733858 /nfs/dbraw/zinc/73/38/58/618733858.db2.gz IXXFEKYVUMVOBJ-IBGZPJMESA-N 2 2 314.429 3.290 20 0 DGADLP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000894226330 618733862 /nfs/dbraw/zinc/73/38/62/618733862.db2.gz IXXFEKYVUMVOBJ-IBGZPJMESA-N 2 2 314.429 3.290 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1csc2ccccc12 ZINC000924964178 618751738 /nfs/dbraw/zinc/75/17/38/618751738.db2.gz JMSKZBBEIICEEF-RRFJBIMHSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1csc2ccccc12 ZINC000924964178 618751739 /nfs/dbraw/zinc/75/17/39/618751739.db2.gz JMSKZBBEIICEEF-RRFJBIMHSA-N 2 2 316.470 3.415 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381290 618776425 /nfs/dbraw/zinc/77/64/25/618776425.db2.gz SIGYVPRAYOFAMK-CJNGLKHVSA-N 2 2 317.433 3.086 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000895381290 618776427 /nfs/dbraw/zinc/77/64/27/618776427.db2.gz SIGYVPRAYOFAMK-CJNGLKHVSA-N 2 2 317.433 3.086 20 0 DGADLP C[N@H+](Cc1cc2c(cccc2O)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000895453808 618785090 /nfs/dbraw/zinc/78/50/90/618785090.db2.gz PHTQMQKHIUOOAU-OAHLLOKOSA-N 2 2 302.443 3.133 20 0 DGADLP C[N@@H+](Cc1cc2c(cccc2O)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000895453808 618785092 /nfs/dbraw/zinc/78/50/92/618785092.db2.gz PHTQMQKHIUOOAU-OAHLLOKOSA-N 2 2 302.443 3.133 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000895508061 618792266 /nfs/dbraw/zinc/79/22/66/618792266.db2.gz DHWGHWOINZYYQM-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccnn1C1CCC1 ZINC000895508061 618792269 /nfs/dbraw/zinc/79/22/69/618792269.db2.gz DHWGHWOINZYYQM-QAPCUYQASA-N 2 2 304.482 3.160 20 0 DGADLP CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)c1 ZINC000895670831 618816058 /nfs/dbraw/zinc/81/60/58/618816058.db2.gz GMOBNRXAUSOWNE-UHFFFAOYSA-N 2 2 302.462 3.454 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672087 618816474 /nfs/dbraw/zinc/81/64/74/618816474.db2.gz OQJASCQGOSZPSO-MISYRCLQSA-N 2 2 313.489 3.038 20 0 DGADLP CCN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000895672087 618816476 /nfs/dbraw/zinc/81/64/76/618816476.db2.gz OQJASCQGOSZPSO-MISYRCLQSA-N 2 2 313.489 3.038 20 0 DGADLP CCC1([NH+]2CCC2)CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000895827125 618834209 /nfs/dbraw/zinc/83/42/09/618834209.db2.gz FDQKMXYQTMENCQ-UHFFFAOYSA-N 2 2 312.457 3.413 20 0 DGADLP Cc1ccncc1CCC[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896725246 618948560 /nfs/dbraw/zinc/94/85/60/618948560.db2.gz ZVZFLYAPEOBTHZ-IBGZPJMESA-N 2 2 312.461 3.000 20 0 DGADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(C[NH+](C)C)cc3C)ccn12 ZINC000909599465 619053928 /nfs/dbraw/zinc/05/39/28/619053928.db2.gz FYKVHEPNKLVPDT-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925167968 619064154 /nfs/dbraw/zinc/06/41/54/619064154.db2.gz FLEHOQFMFIKXTE-WFASDCNBSA-N 2 2 316.836 3.476 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000788988417 625316248 /nfs/dbraw/zinc/31/62/48/625316248.db2.gz QOMXDBSQQFKZNT-KBXCAEBGSA-N 2 2 302.462 3.492 20 0 DGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000788988417 625316252 /nfs/dbraw/zinc/31/62/52/625316252.db2.gz QOMXDBSQQFKZNT-KBXCAEBGSA-N 2 2 302.462 3.492 20 0 DGADLP C[Si](C)(C)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000788022931 619121458 /nfs/dbraw/zinc/12/14/58/619121458.db2.gz QQKOTJORZZMLNC-UHFFFAOYSA-N 2 2 313.521 3.265 20 0 DGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000897447964 619129662 /nfs/dbraw/zinc/12/96/62/619129662.db2.gz TXMILYDOJNFGQW-UHFFFAOYSA-N 2 2 317.477 3.093 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925292448 619144648 /nfs/dbraw/zinc/14/46/48/619144648.db2.gz LXPFJYQFORVQGT-FCLVOEFKSA-N 2 2 320.452 3.244 20 0 DGADLP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925292448 619144650 /nfs/dbraw/zinc/14/46/50/619144650.db2.gz LXPFJYQFORVQGT-FCLVOEFKSA-N 2 2 320.452 3.244 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)O1 ZINC000926917764 619248703 /nfs/dbraw/zinc/24/87/03/619248703.db2.gz XKOYSXPBIBHLKP-BARDWOONSA-N 2 2 320.399 3.093 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)O1 ZINC000926917764 619248704 /nfs/dbraw/zinc/24/87/04/619248704.db2.gz XKOYSXPBIBHLKP-BARDWOONSA-N 2 2 320.399 3.093 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1Cl ZINC000841058367 619249415 /nfs/dbraw/zinc/24/94/15/619249415.db2.gz WJPWBLCOGMAKIT-INIZCTEOSA-N 2 2 312.889 3.124 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651175 619253578 /nfs/dbraw/zinc/25/35/78/619253578.db2.gz WLYNXOYRXACLIG-CABCVRRESA-N 2 2 311.429 3.477 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccccc2)no1 ZINC000924651175 619253579 /nfs/dbraw/zinc/25/35/79/619253579.db2.gz WLYNXOYRXACLIG-CABCVRRESA-N 2 2 311.429 3.477 20 0 DGADLP c1ccc(N2CCC([NH2+][C@@H]3CCSC4(CCC4)C3)CC2)[nH+]c1 ZINC000927039682 619259866 /nfs/dbraw/zinc/25/98/66/619259866.db2.gz VPFQMOUXKJGSHC-MRXNPFEDSA-N 2 2 317.502 3.458 20 0 DGADLP COc1ccnc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000924727710 619268123 /nfs/dbraw/zinc/26/81/23/619268123.db2.gz CIKNVYQKBJDGIE-BBRMVZONSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc2c1OCO2 ZINC000924731357 619270900 /nfs/dbraw/zinc/27/09/00/619270900.db2.gz UUKJAKDHHGBALJ-BBRMVZONSA-N 2 2 315.417 3.377 20 0 DGADLP C[C@@H]1CC2(CC([NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)C2)CO1 ZINC000924774443 619420746 /nfs/dbraw/zinc/42/07/46/619420746.db2.gz AAISVKXGPBJQJG-MJJDPTRDSA-N 2 2 315.392 3.059 20 0 DGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)CNc3cccc[nH+]3)c2C1 ZINC000901152576 619474996 /nfs/dbraw/zinc/47/49/96/619474996.db2.gz PDXVRMSMLRCWKO-UHFFFAOYSA-N 2 2 324.428 3.104 20 0 DGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)CNc3cccc[nH+]3)c2C1 ZINC000901152576 619474998 /nfs/dbraw/zinc/47/49/98/619474998.db2.gz PDXVRMSMLRCWKO-UHFFFAOYSA-N 2 2 324.428 3.104 20 0 DGADLP CC(C)COC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccco1 ZINC000902364214 619627554 /nfs/dbraw/zinc/62/75/54/619627554.db2.gz PXURGFNAIAZEEP-HZPDHXFCSA-N 2 2 308.466 3.361 20 0 DGADLP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000902412523 619628835 /nfs/dbraw/zinc/62/88/35/619628835.db2.gz CILSPSHGCDSLEP-NSHDSACASA-N 2 2 301.217 3.288 20 0 DGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C(=O)OC)cc1 ZINC000902434179 619635314 /nfs/dbraw/zinc/63/53/14/619635314.db2.gz MHHZDCAIGPIBHQ-IPMKNSEASA-N 2 2 324.424 3.139 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000902450150 619639789 /nfs/dbraw/zinc/63/97/89/619639789.db2.gz RIQRNJXTIOOHEH-HUBLWGQQSA-N 2 2 303.475 3.376 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c2ccccc21 ZINC000902452133 619639831 /nfs/dbraw/zinc/63/98/31/619639831.db2.gz JDEDCGPVJBRCHO-IRXDYDNUSA-N 2 2 322.408 3.181 20 0 DGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470986 619642312 /nfs/dbraw/zinc/64/23/12/619642312.db2.gz IJCANDOGRKUPEC-NLRWUALESA-N 2 2 301.459 3.271 20 0 DGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1C ZINC000902482442 619645639 /nfs/dbraw/zinc/64/56/39/619645639.db2.gz LDZXMXBECRISIW-RDJZCZTQSA-N 2 2 317.477 3.142 20 0 DGADLP COCCC[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(F)cc1 ZINC000902483042 619645694 /nfs/dbraw/zinc/64/56/94/619645694.db2.gz ORJKVQHOFVUONR-QZTJIDSGSA-N 2 2 308.441 3.415 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742649 619668837 /nfs/dbraw/zinc/66/88/37/619668837.db2.gz VEQOWPLPTMSKGR-HZPDHXFCSA-N 3 2 310.445 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902742649 619668838 /nfs/dbraw/zinc/66/88/38/619668838.db2.gz VEQOWPLPTMSKGR-HZPDHXFCSA-N 3 2 310.445 3.007 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000902748549 619669733 /nfs/dbraw/zinc/66/97/33/619669733.db2.gz NMGRLHYJMKGSJJ-WBAXXEDZSA-N 2 2 316.445 3.059 20 0 DGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000902748549 619669735 /nfs/dbraw/zinc/66/97/35/619669735.db2.gz NMGRLHYJMKGSJJ-WBAXXEDZSA-N 2 2 316.445 3.059 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797768 619678235 /nfs/dbraw/zinc/67/82/35/619678235.db2.gz YTHWTNVCZWVFLV-NWDGAFQWSA-N 2 2 301.356 3.093 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902797768 619678236 /nfs/dbraw/zinc/67/82/36/619678236.db2.gz YTHWTNVCZWVFLV-NWDGAFQWSA-N 2 2 301.356 3.093 20 0 DGADLP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902828079 619680415 /nfs/dbraw/zinc/68/04/15/619680415.db2.gz VSADIOUQSKKXKI-HLLBOEOZSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000902843698 619683465 /nfs/dbraw/zinc/68/34/65/619683465.db2.gz XDKLCDRRGQKYFW-PIKADFDJSA-N 2 2 311.429 3.481 20 0 DGADLP C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902880995 619687724 /nfs/dbraw/zinc/68/77/24/619687724.db2.gz CLERKQPJDKOILY-HOCLYGCPSA-N 2 2 301.434 3.320 20 0 DGADLP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902944325 619693061 /nfs/dbraw/zinc/69/30/61/619693061.db2.gz FJTAAQSZYDAYHZ-MRXNPFEDSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902956474 619697370 /nfs/dbraw/zinc/69/73/70/619697370.db2.gz ISXNTKGDJJRGLG-YOEHRIQHSA-N 2 2 311.385 3.240 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016770 619701880 /nfs/dbraw/zinc/70/18/80/619701880.db2.gz HKOWRAPVIOFOEB-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016770 619701881 /nfs/dbraw/zinc/70/18/81/619701881.db2.gz HKOWRAPVIOFOEB-IRXDYDNUSA-N 3 2 312.461 3.255 20 0 DGADLP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903017777 619702333 /nfs/dbraw/zinc/70/23/33/619702333.db2.gz YEAQBNLSFWGVCU-MRXNPFEDSA-N 3 2 312.461 3.397 20 0 DGADLP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903017777 619702334 /nfs/dbraw/zinc/70/23/34/619702334.db2.gz YEAQBNLSFWGVCU-MRXNPFEDSA-N 3 2 312.461 3.397 20 0 DGADLP COc1ccc2c(c1Cl)[C@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000903057983 619707297 /nfs/dbraw/zinc/70/72/97/619707297.db2.gz MNCZDQUOIREFSC-CYBMUJFWSA-N 2 2 305.809 3.212 20 0 DGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903118482 619721245 /nfs/dbraw/zinc/72/12/45/619721245.db2.gz VRQFCVYDWJGLOT-KTWXZFIHSA-N 2 2 312.457 3.484 20 0 DGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903118482 619721246 /nfs/dbraw/zinc/72/12/46/619721246.db2.gz VRQFCVYDWJGLOT-KTWXZFIHSA-N 2 2 312.457 3.484 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000903164895 619728415 /nfs/dbraw/zinc/72/84/15/619728415.db2.gz DYKNQUVCRZOUHU-YDHLFZDLSA-N 2 2 304.400 3.429 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000903184260 619731986 /nfs/dbraw/zinc/73/19/86/619731986.db2.gz KPRCJFXGEMTDTG-UHFFFAOYSA-N 2 2 301.478 3.170 20 0 DGADLP C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903295916 619752737 /nfs/dbraw/zinc/75/27/37/619752737.db2.gz DRDDVSZGZULEFQ-KXBFYZLASA-N 2 2 313.445 3.464 20 0 DGADLP C[C@H](Cc1cccs1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385744 619769915 /nfs/dbraw/zinc/76/99/15/619769915.db2.gz ZLYRNIURLAWTTM-RHSMWYFYSA-N 2 2 303.475 3.357 20 0 DGADLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2csc(Cl)n2)CC1 ZINC000903792684 619811470 /nfs/dbraw/zinc/81/14/70/619811470.db2.gz FYSXLZSEZKLANV-UHFFFAOYSA-N 2 2 321.877 3.289 20 0 DGADLP Cc1cc(C)[nH+]c(CN(CC[NH3+])Cc2cccc(Cl)c2)c1 ZINC000903783975 619813399 /nfs/dbraw/zinc/81/33/99/619813399.db2.gz IKRRROCXMLLLBL-UHFFFAOYSA-N 2 2 303.837 3.313 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000903915115 619831272 /nfs/dbraw/zinc/83/12/72/619831272.db2.gz NBABPSHEAMDWNU-WFASDCNBSA-N 2 2 300.368 3.378 20 0 DGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000903915115 619831274 /nfs/dbraw/zinc/83/12/74/619831274.db2.gz NBABPSHEAMDWNU-WFASDCNBSA-N 2 2 300.368 3.378 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000903909540 619833172 /nfs/dbraw/zinc/83/31/72/619833172.db2.gz FKTIVWDEHCKCNX-CRAIPNDOSA-N 2 2 308.416 3.339 20 0 DGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000903909540 619833173 /nfs/dbraw/zinc/83/31/73/619833173.db2.gz FKTIVWDEHCKCNX-CRAIPNDOSA-N 2 2 308.416 3.339 20 0 DGADLP c1ccc(NC2CC[NH+](Cc3cccc4c3NCC4)CC2)[nH+]c1 ZINC000903960237 619839903 /nfs/dbraw/zinc/83/99/03/619839903.db2.gz ABROOSGBCCADDB-UHFFFAOYSA-N 2 2 308.429 3.126 20 0 DGADLP Cc1cc2cc(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)oc2cc1C ZINC000903955566 619846486 /nfs/dbraw/zinc/84/64/86/619846486.db2.gz VWDCYCWYMUGWGA-AWEZNQCLSA-N 2 2 308.372 3.384 20 0 DGADLP C[C@@]1(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904341494 619914592 /nfs/dbraw/zinc/91/45/92/619914592.db2.gz SEYPTQHWYFBWQW-SNVBAGLBSA-N 2 2 318.305 3.193 20 0 DGADLP C[C@@]1(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904341494 619914593 /nfs/dbraw/zinc/91/45/93/619914593.db2.gz SEYPTQHWYFBWQW-SNVBAGLBSA-N 2 2 318.305 3.193 20 0 DGADLP C[C@]1(C[NH2+]Cc2nc(-c3ccccc3F)cs2)CCC[NH2+]C1 ZINC000904367639 619916731 /nfs/dbraw/zinc/91/67/31/619916731.db2.gz BEBDQIPSMQYPPS-KRWDZBQOSA-N 2 2 319.449 3.429 20 0 DGADLP Cc1ccc([C@@H](O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000905454425 620000774 /nfs/dbraw/zinc/00/07/74/620000774.db2.gz SIXXAZIERYFKJD-UXHICEINSA-N 2 2 321.424 3.256 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000906197471 620074836 /nfs/dbraw/zinc/07/48/36/620074836.db2.gz HKFJLZXETUHKCJ-CQSZACIVSA-N 2 2 317.477 3.249 20 0 DGADLP Cc1cc(C)c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000906197471 620074839 /nfs/dbraw/zinc/07/48/39/620074839.db2.gz HKFJLZXETUHKCJ-CQSZACIVSA-N 2 2 317.477 3.249 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000920957045 620829121 /nfs/dbraw/zinc/82/91/21/620829121.db2.gz ZRYSXJJDEQQJCA-SFHVURJKSA-N 2 2 301.478 3.251 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000920957045 620829126 /nfs/dbraw/zinc/82/91/26/620829126.db2.gz ZRYSXJJDEQQJCA-SFHVURJKSA-N 2 2 301.478 3.251 20 0 DGADLP c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n(C2CCC2)n1 ZINC000921604598 620912952 /nfs/dbraw/zinc/91/29/52/620912952.db2.gz SWJVINKCWJPALP-UHFFFAOYSA-N 2 2 307.401 3.084 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](SC)C2)CC1 ZINC000921713182 620939359 /nfs/dbraw/zinc/93/93/59/620939359.db2.gz MCCIZXZHCJCFII-GDBMZVCRSA-N 2 2 314.539 3.140 20 0 DGADLP C[C@@H](CC[NH2+]Cc1c(Cl)n[nH]c1C1CC1)[NH+]1CCCCC1 ZINC000921989688 620977274 /nfs/dbraw/zinc/97/72/74/620977274.db2.gz HKMXDPDPLRWFMM-LBPRGKRZSA-N 2 2 310.873 3.295 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000922284224 621017448 /nfs/dbraw/zinc/01/74/48/621017448.db2.gz AUZJVNPNFCSKNG-YWTNHNAXSA-N 2 2 306.494 3.188 20 0 DGADLP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000922284224 621017451 /nfs/dbraw/zinc/01/74/51/621017451.db2.gz AUZJVNPNFCSKNG-YWTNHNAXSA-N 2 2 306.494 3.188 20 0 DGADLP c1cn(C[C@H]([NH2+]Cc2cccc3c2OCC3)c2ccccc2)c[nH+]1 ZINC000922336168 621026406 /nfs/dbraw/zinc/02/64/06/621026406.db2.gz ROIRZSPNCHDPBW-IBGZPJMESA-N 2 2 319.408 3.349 20 0 DGADLP C[C@H]1CCC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747292 621093047 /nfs/dbraw/zinc/09/30/47/621093047.db2.gz XTIMJSPXOAKYMC-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1CCC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922747292 621093052 /nfs/dbraw/zinc/09/30/52/621093052.db2.gz XTIMJSPXOAKYMC-HKUYNNGSSA-N 2 2 316.489 3.446 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)c2)c[nH+]1 ZINC000922894745 621122084 /nfs/dbraw/zinc/12/20/84/621122084.db2.gz AFHGIQWCHHNNDL-YOEHRIQHSA-N 2 2 317.458 3.229 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000858148603 621158780 /nfs/dbraw/zinc/15/87/80/621158780.db2.gz DNHZTZVEQNYACJ-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000858148603 621158784 /nfs/dbraw/zinc/15/87/84/621158784.db2.gz DNHZTZVEQNYACJ-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2scnc21 ZINC000858352846 621179777 /nfs/dbraw/zinc/17/97/77/621179777.db2.gz GLSZUFSYXNXYBP-OCCSQVGLSA-N 2 2 304.463 3.422 20 0 DGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753653551 621457981 /nfs/dbraw/zinc/45/79/81/621457981.db2.gz JCOQPSRJFYCAED-IAGOWNOFSA-N 2 2 320.477 3.073 20 0 DGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753653551 621457984 /nfs/dbraw/zinc/45/79/84/621457984.db2.gz JCOQPSRJFYCAED-IAGOWNOFSA-N 2 2 320.477 3.073 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000754120568 621489227 /nfs/dbraw/zinc/48/92/27/621489227.db2.gz IMHYTUHENAZKDY-NVXWUHKLSA-N 2 2 301.459 3.492 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000863544715 621682463 /nfs/dbraw/zinc/68/24/63/621682463.db2.gz BYTBTOQSCIWULN-YWVKMMECSA-N 2 2 302.249 3.367 20 0 DGADLP O[C@H](CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000839532853 621689015 /nfs/dbraw/zinc/68/90/15/621689015.db2.gz XHPQPGAIKHJRPO-GOSISDBHSA-N 2 2 311.429 3.082 20 0 DGADLP c1cn(Cc2cccc(-c3ccc([C@@H]4C[NH2+]CCO4)cc3)c2)c[nH+]1 ZINC000863690018 621701213 /nfs/dbraw/zinc/70/12/13/621701213.db2.gz IOBMAOWWPIRAJP-FQEVSTJZSA-N 2 2 319.408 3.259 20 0 DGADLP COc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1Cl ZINC000759164347 621831582 /nfs/dbraw/zinc/83/15/82/621831582.db2.gz YKZYSAIPFGKHQF-UHFFFAOYSA-N 2 2 305.809 3.099 20 0 DGADLP CC[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865403409 621911017 /nfs/dbraw/zinc/91/10/17/621911017.db2.gz DRHJUDGNKKCZML-UHFFFAOYSA-N 2 2 320.330 3.298 20 0 DGADLP C[N@H+](CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1)C1CCCCC1 ZINC000865406895 621912365 /nfs/dbraw/zinc/91/23/65/621912365.db2.gz MBMUNWTYKMWHAE-UHFFFAOYSA-N 2 2 317.433 3.278 20 0 DGADLP C[N@@H+](CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1)C1CCCCC1 ZINC000865406895 621912370 /nfs/dbraw/zinc/91/23/70/621912370.db2.gz MBMUNWTYKMWHAE-UHFFFAOYSA-N 2 2 317.433 3.278 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC(F)(F)C3)CC2)cc1 ZINC000760039108 621912532 /nfs/dbraw/zinc/91/25/32/621912532.db2.gz PEORRTNOTSKMCT-UHFFFAOYSA-N 2 2 309.404 3.109 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865417363 621915683 /nfs/dbraw/zinc/91/56/83/621915683.db2.gz IHHQDLISBPFREL-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865417363 621915686 /nfs/dbraw/zinc/91/56/86/621915686.db2.gz IHHQDLISBPFREL-NSHDSACASA-N 2 2 320.330 3.156 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(CO)c1 ZINC000760158078 621918480 /nfs/dbraw/zinc/91/84/80/621918480.db2.gz UIPHXMWJLZBTTQ-PBHICJAKSA-N 2 2 301.434 3.141 20 0 DGADLP CN(C)c1ccc(F)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000865445007 621923320 /nfs/dbraw/zinc/92/33/20/621923320.db2.gz AYWLGPRHSNFLCF-UHFFFAOYSA-N 2 2 316.424 3.269 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484436 621932499 /nfs/dbraw/zinc/93/24/99/621932499.db2.gz WYDQFGNKQHSOAO-UZLBHIALSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865484436 621932501 /nfs/dbraw/zinc/93/25/01/621932501.db2.gz WYDQFGNKQHSOAO-UZLBHIALSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865524552 621942763 /nfs/dbraw/zinc/94/27/63/621942763.db2.gz XBCAAWIYTUTGGL-AEFFLSMTSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000865524552 621942765 /nfs/dbraw/zinc/94/27/65/621942765.db2.gz XBCAAWIYTUTGGL-AEFFLSMTSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000865524554 621943170 /nfs/dbraw/zinc/94/31/70/621943170.db2.gz XBCAAWIYTUTGGL-SJLPKXTDSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000865524554 621943172 /nfs/dbraw/zinc/94/31/72/621943172.db2.gz XBCAAWIYTUTGGL-SJLPKXTDSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450086 622120938 /nfs/dbraw/zinc/12/09/38/622120938.db2.gz NSQUAQFSCPBLAQ-LEUOFYLZSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450086 622120941 /nfs/dbraw/zinc/12/09/41/622120941.db2.gz NSQUAQFSCPBLAQ-LEUOFYLZSA-N 2 2 305.441 3.162 20 0 DGADLP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561812 622138229 /nfs/dbraw/zinc/13/82/29/622138229.db2.gz LPHWXKZQFDCXSX-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561812 622138232 /nfs/dbraw/zinc/13/82/32/622138232.db2.gz LPHWXKZQFDCXSX-QZTJIDSGSA-N 2 2 306.494 3.332 20 0 DGADLP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000866572706 622140802 /nfs/dbraw/zinc/14/08/02/622140802.db2.gz BBVFHEMSPLBAIJ-QGZVFWFLSA-N 2 2 320.477 3.310 20 0 DGADLP Cc1ncc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000765251244 622254026 /nfs/dbraw/zinc/25/40/26/622254026.db2.gz NEXUPEQVWDYXDK-XJKSGUPXSA-N 2 2 301.438 3.055 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccccc1 ZINC000765525107 622271115 /nfs/dbraw/zinc/27/11/15/622271115.db2.gz IUHQKNCCPDFZAJ-YQQAZPJKSA-N 2 2 312.461 3.314 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1ccccc1 ZINC000765525107 622271118 /nfs/dbraw/zinc/27/11/18/622271118.db2.gz IUHQKNCCPDFZAJ-YQQAZPJKSA-N 2 2 312.461 3.314 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000765977064 622298004 /nfs/dbraw/zinc/29/80/04/622298004.db2.gz PQZCNGVCWONITL-RHSMWYFYSA-N 2 2 306.450 3.136 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccnc(Cl)c1 ZINC000765974967 622298159 /nfs/dbraw/zinc/29/81/59/622298159.db2.gz JMCVWIXPRZLNGA-CJNGLKHVSA-N 2 2 323.868 3.029 20 0 DGADLP CS[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766605172 622341848 /nfs/dbraw/zinc/34/18/48/622341848.db2.gz RRUHXADPNJBXME-ROUUACIJSA-N 2 2 319.518 3.205 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@@H+]1C ZINC000872117631 622817890 /nfs/dbraw/zinc/81/78/90/622817890.db2.gz UQUADOZMVOGXGO-GXSJLCMTSA-N 2 2 321.774 3.326 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC[N@H+]1C ZINC000872117631 622817892 /nfs/dbraw/zinc/81/78/92/622817892.db2.gz UQUADOZMVOGXGO-GXSJLCMTSA-N 2 2 321.774 3.326 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150511 622833593 /nfs/dbraw/zinc/83/35/93/622833593.db2.gz FJKPKJHQASZRFA-NWDGAFQWSA-N 2 2 308.294 3.193 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150511 622833599 /nfs/dbraw/zinc/83/35/99/622833599.db2.gz FJKPKJHQASZRFA-NWDGAFQWSA-N 2 2 308.294 3.193 20 0 DGADLP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158642 622839681 /nfs/dbraw/zinc/83/96/81/622839681.db2.gz WKUPHJLLSYCTJB-CJNGLKHVSA-N 2 2 318.465 3.067 20 0 DGADLP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158642 622839686 /nfs/dbraw/zinc/83/96/86/622839686.db2.gz WKUPHJLLSYCTJB-CJNGLKHVSA-N 2 2 318.465 3.067 20 0 DGADLP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158643 622840659 /nfs/dbraw/zinc/84/06/59/622840659.db2.gz WKUPHJLLSYCTJB-CZUORRHYSA-N 2 2 318.465 3.067 20 0 DGADLP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1)C1CCCC1 ZINC000872158643 622840665 /nfs/dbraw/zinc/84/06/65/622840665.db2.gz WKUPHJLLSYCTJB-CZUORRHYSA-N 2 2 318.465 3.067 20 0 DGADLP CCc1cc(N2CCC(C)([NH+]3CCCCC3)CC2)nc(C)[nH+]1 ZINC000872664575 622949573 /nfs/dbraw/zinc/94/95/73/622949573.db2.gz LCUCTXXIIFQFLD-UHFFFAOYSA-N 2 2 302.466 3.192 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000773093665 622983047 /nfs/dbraw/zinc/98/30/47/622983047.db2.gz FOAXILXZAMQHNM-RDJZCZTQSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000773093665 622983051 /nfs/dbraw/zinc/98/30/51/622983051.db2.gz FOAXILXZAMQHNM-RDJZCZTQSA-N 2 2 313.420 3.363 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000873195136 623070450 /nfs/dbraw/zinc/07/04/50/623070450.db2.gz XZYSCXJUCFZIKC-WOJBJXKFSA-N 2 2 321.424 3.474 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000873224001 623081607 /nfs/dbraw/zinc/08/16/07/623081607.db2.gz WIUVBDQDJFQTQY-INIZCTEOSA-N 2 2 300.368 3.301 20 0 DGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000873224001 623081612 /nfs/dbraw/zinc/08/16/12/623081612.db2.gz WIUVBDQDJFQTQY-INIZCTEOSA-N 2 2 300.368 3.301 20 0 DGADLP Clc1cc2cccnc2c(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230926 623083726 /nfs/dbraw/zinc/08/37/26/623083726.db2.gz ZWJPYBVBSVDMDJ-WBVHZDCISA-N 2 2 301.821 3.262 20 0 DGADLP c1ccc(COc2cccc(C[NH2+][C@]34CCC[C@@H]3[NH2+]CC4)c2)nc1 ZINC000873230236 623083798 /nfs/dbraw/zinc/08/37/98/623083798.db2.gz NXPXBFQDOBSQEO-PMACEKPBSA-N 2 2 323.440 3.035 20 0 DGADLP COc1ccc([C@H]([NH2+]CC[C@H]2CCSC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873234118 623086142 /nfs/dbraw/zinc/08/61/42/623086142.db2.gz AIFNRHDEEDUHQQ-WBAXXEDZSA-N 2 2 320.502 3.221 20 0 DGADLP COc1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774382126 623138308 /nfs/dbraw/zinc/13/83/08/623138308.db2.gz RLHPOXQMEYHSJM-AGUYFDCRSA-N 2 2 300.402 3.156 20 0 DGADLP COc1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774382126 623138310 /nfs/dbraw/zinc/13/83/10/623138310.db2.gz RLHPOXQMEYHSJM-AGUYFDCRSA-N 2 2 300.402 3.156 20 0 DGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCOC1 ZINC000776807188 623465894 /nfs/dbraw/zinc/46/58/94/623465894.db2.gz VKMIPDJASDBNHR-VQIMIIECSA-N 2 2 317.477 3.056 20 0 DGADLP CC1(C)CCc2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)ccc2O1 ZINC000778188528 623622331 /nfs/dbraw/zinc/62/23/31/623622331.db2.gz HNCBFGPXXLRYNI-INIZCTEOSA-N 2 2 311.429 3.091 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530317 623927950 /nfs/dbraw/zinc/92/79/50/623927950.db2.gz CPQAUNILZPZLNC-XHDPSFHLSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530317 623927953 /nfs/dbraw/zinc/92/79/53/623927953.db2.gz CPQAUNILZPZLNC-XHDPSFHLSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530317 623927955 /nfs/dbraw/zinc/92/79/55/623927955.db2.gz CPQAUNILZPZLNC-XHDPSFHLSA-N 2 2 316.367 3.199 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)cc1F ZINC000877530317 623927957 /nfs/dbraw/zinc/92/79/57/623927957.db2.gz CPQAUNILZPZLNC-XHDPSFHLSA-N 2 2 316.367 3.199 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000877622672 623967263 /nfs/dbraw/zinc/96/72/63/623967263.db2.gz SADQRNUMJZNCFQ-JZKQVHKSSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000877622672 623967271 /nfs/dbraw/zinc/96/72/71/623967271.db2.gz SADQRNUMJZNCFQ-JZKQVHKSSA-N 2 2 304.415 3.172 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000877631115 623970868 /nfs/dbraw/zinc/97/08/68/623970868.db2.gz FGZAZCZHFVPPCI-ZOCZFRKYSA-N 2 2 318.442 3.419 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000877656564 623979457 /nfs/dbraw/zinc/97/94/57/623979457.db2.gz MAVVILRUYGYZHB-NVAPDCRFSA-N 2 2 316.426 3.316 20 0 DGADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000877656564 623979460 /nfs/dbraw/zinc/97/94/60/623979460.db2.gz MAVVILRUYGYZHB-NVAPDCRFSA-N 2 2 316.426 3.316 20 0 DGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741445 624013811 /nfs/dbraw/zinc/01/38/11/624013811.db2.gz VVHGHZCCTLTEMA-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741445 624013818 /nfs/dbraw/zinc/01/38/18/624013818.db2.gz VVHGHZCCTLTEMA-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741445 624013821 /nfs/dbraw/zinc/01/38/21/624013821.db2.gz VVHGHZCCTLTEMA-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3CC(F)(F)F)CC[C@H]21 ZINC000877741445 624013824 /nfs/dbraw/zinc/01/38/24/624013824.db2.gz VVHGHZCCTLTEMA-JKSUJKDBSA-N 2 2 312.379 3.317 20 0 DGADLP CC[N@H+](CC[C@@H](O)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150591 624190644 /nfs/dbraw/zinc/19/06/44/624190644.db2.gz MWLMMXASILXUPR-GOSISDBHSA-N 2 2 319.493 3.027 20 0 DGADLP CC[N@@H+](CC[C@@H](O)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878150591 624190645 /nfs/dbraw/zinc/19/06/45/624190645.db2.gz MWLMMXASILXUPR-GOSISDBHSA-N 2 2 319.493 3.027 20 0 DGADLP C[N@H+](CCCC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170171 624199225 /nfs/dbraw/zinc/19/92/25/624199225.db2.gz AHIVVIUNYZBPCV-UHFFFAOYSA-N 2 2 301.478 3.211 20 0 DGADLP C[N@@H+](CCCC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170171 624199226 /nfs/dbraw/zinc/19/92/26/624199226.db2.gz AHIVVIUNYZBPCV-UHFFFAOYSA-N 2 2 301.478 3.211 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878513112 624295256 /nfs/dbraw/zinc/29/52/56/624295256.db2.gz VEWZPZSRZRAWHQ-MSOLQXFVSA-N 2 2 317.477 3.128 20 0 DGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878513112 624295258 /nfs/dbraw/zinc/29/52/58/624295258.db2.gz VEWZPZSRZRAWHQ-MSOLQXFVSA-N 2 2 317.477 3.128 20 0 DGADLP C[N@H+](Cc1cc(C(F)(F)F)co1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608265 624321340 /nfs/dbraw/zinc/32/13/40/624321340.db2.gz NFLDMOJSSGASFD-FUNVUKJBSA-N 2 2 302.340 3.355 20 0 DGADLP C[N@@H+](Cc1cc(C(F)(F)F)co1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608265 624321347 /nfs/dbraw/zinc/32/13/47/624321347.db2.gz NFLDMOJSSGASFD-FUNVUKJBSA-N 2 2 302.340 3.355 20 0 DGADLP C[NH+](Cc1cc(C(F)(F)F)co1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878608265 624321350 /nfs/dbraw/zinc/32/13/50/624321350.db2.gz NFLDMOJSSGASFD-FUNVUKJBSA-N 2 2 302.340 3.355 20 0 DGADLP C[NH+](Cc1cc(C(F)(F)F)co1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878608265 624321354 /nfs/dbraw/zinc/32/13/54/624321354.db2.gz NFLDMOJSSGASFD-FUNVUKJBSA-N 2 2 302.340 3.355 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000783244987 624330090 /nfs/dbraw/zinc/33/00/90/624330090.db2.gz JREGIRBQMSODHG-BQFCYCMXSA-N 2 2 302.462 3.275 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000879628073 624613885 /nfs/dbraw/zinc/61/38/85/624613885.db2.gz CKUZVQCZWALRDG-UHFFFAOYSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1nc(F)ccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000785484400 624676177 /nfs/dbraw/zinc/67/61/77/624676177.db2.gz YAVCCNLXQYFYKM-QGZVFWFLSA-N 2 2 324.403 3.336 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1C ZINC000880130198 624799689 /nfs/dbraw/zinc/79/96/89/624799689.db2.gz DVKXSAKEWXMYBC-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1C ZINC000880130198 624799691 /nfs/dbraw/zinc/79/96/91/624799691.db2.gz DVKXSAKEWXMYBC-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1C ZINC000880130198 624799697 /nfs/dbraw/zinc/79/96/97/624799697.db2.gz DVKXSAKEWXMYBC-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1C ZINC000880130198 624799702 /nfs/dbraw/zinc/79/97/02/624799702.db2.gz DVKXSAKEWXMYBC-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133756 624802190 /nfs/dbraw/zinc/80/21/90/624802190.db2.gz QAICLICCFWNEIM-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCOc1cccc(Cl)c1 ZINC000880133756 624802195 /nfs/dbraw/zinc/80/21/95/624802195.db2.gz QAICLICCFWNEIM-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCOc1cccc(Cl)c1 ZINC000880133756 624802201 /nfs/dbraw/zinc/80/22/01/624802201.db2.gz QAICLICCFWNEIM-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000880133756 624802206 /nfs/dbraw/zinc/80/22/06/624802206.db2.gz QAICLICCFWNEIM-IAGOWNOFSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138038 624803946 /nfs/dbraw/zinc/80/39/46/624803946.db2.gz OSSRFJNXALBLMV-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCSCc1ccccc1 ZINC000880138038 624803952 /nfs/dbraw/zinc/80/39/52/624803952.db2.gz OSSRFJNXALBLMV-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCSCc1ccccc1 ZINC000880138038 624803961 /nfs/dbraw/zinc/80/39/61/624803961.db2.gz OSSRFJNXALBLMV-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCSCc1ccccc1 ZINC000880138038 624803972 /nfs/dbraw/zinc/80/39/72/624803972.db2.gz OSSRFJNXALBLMV-ZWKOTPCHSA-N 2 2 304.503 3.478 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387011 624947678 /nfs/dbraw/zinc/94/76/78/624947678.db2.gz DVLAVQSASMFUSW-QGZVFWFLSA-N 2 2 301.459 3.143 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387011 624947679 /nfs/dbraw/zinc/94/76/79/624947679.db2.gz DVLAVQSASMFUSW-QGZVFWFLSA-N 2 2 301.459 3.143 20 0 DGADLP BrC1(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880569390 624979523 /nfs/dbraw/zinc/97/95/23/624979523.db2.gz JFUYYARPZMFYDR-AWEZNQCLSA-N 2 2 320.234 3.142 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nccn1-c1ccccc1 ZINC000790954434 625721929 /nfs/dbraw/zinc/72/19/29/625721929.db2.gz RNAXDCRMIYAKJN-KRWDZBQOSA-N 2 2 323.444 3.273 20 0 DGADLP C[C@H]1CN(c2[nH+]ccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC000882820150 625827223 /nfs/dbraw/zinc/82/72/23/625827223.db2.gz HDIREIPUSDHJRY-HNNXBMFYSA-N 2 2 304.397 3.345 20 0 DGADLP Cc1ccc(OC[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000796284726 626035330 /nfs/dbraw/zinc/03/53/30/626035330.db2.gz ZTYPPIYBEUSLMY-AWEZNQCLSA-N 2 2 319.474 3.070 20 0 DGADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000796342712 626040528 /nfs/dbraw/zinc/04/05/28/626040528.db2.gz YBELLCVTQBEYAJ-LBPRGKRZSA-N 2 2 322.503 3.137 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000796766261 626080633 /nfs/dbraw/zinc/08/06/33/626080633.db2.gz UOBJTDBKKHDNCG-DBVUQKKJSA-N 2 2 316.489 3.399 20 0 DGADLP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000796766261 626080636 /nfs/dbraw/zinc/08/06/36/626080636.db2.gz UOBJTDBKKHDNCG-DBVUQKKJSA-N 2 2 316.489 3.399 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592724 626156967 /nfs/dbraw/zinc/15/69/67/626156967.db2.gz AJQZLVUIYBRXGL-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(Cl)n1 ZINC000797592724 626156985 /nfs/dbraw/zinc/15/69/85/626156985.db2.gz AJQZLVUIYBRXGL-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592724 626156988 /nfs/dbraw/zinc/15/69/88/626156988.db2.gz AJQZLVUIYBRXGL-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(Cl)n1 ZINC000797592724 626156989 /nfs/dbraw/zinc/15/69/89/626156989.db2.gz AJQZLVUIYBRXGL-WBVHZDCISA-N 2 2 319.880 3.492 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CSC3(C)C)CC2)cc1 ZINC000802315811 626558843 /nfs/dbraw/zinc/55/88/43/626558843.db2.gz GBFNXYGUNSVYCV-KRWDZBQOSA-N 2 2 319.518 3.205 20 0 DGADLP FC1(F)CCC[C@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000883274011 626632198 /nfs/dbraw/zinc/63/21/98/626632198.db2.gz YBELFIXKDDMOGE-AWEZNQCLSA-N 2 2 309.404 3.466 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387004 626668787 /nfs/dbraw/zinc/66/87/87/626668787.db2.gz QEHBSEMEKIYPMN-FHWLQOOXSA-N 2 2 313.445 3.418 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000883388016 626669267 /nfs/dbraw/zinc/66/92/67/626669267.db2.gz KJFFGIWPDKBCNJ-DJIMGWMZSA-N 2 2 301.459 3.498 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCO2 ZINC000810255258 626993900 /nfs/dbraw/zinc/99/39/00/626993900.db2.gz YLEPAJMRLXOYME-JKSUJKDBSA-N 2 2 311.429 3.333 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nc1 ZINC000885954155 627068367 /nfs/dbraw/zinc/06/83/67/627068367.db2.gz OXOXSQBEXIFBFD-UHFFFAOYSA-N 2 2 307.869 3.479 20 0 DGADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(Cl)cn2)ccc1F ZINC000885988008 627076774 /nfs/dbraw/zinc/07/67/74/627076774.db2.gz DATDUSQUIDCGIT-UHFFFAOYSA-N 2 2 307.800 3.226 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000886171209 627117027 /nfs/dbraw/zinc/11/70/27/627117027.db2.gz AHLLWYGILSHCKA-WMZOPIPTSA-N 2 2 306.494 3.475 20 0 DGADLP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000886171209 627117029 /nfs/dbraw/zinc/11/70/29/627117029.db2.gz AHLLWYGILSHCKA-WMZOPIPTSA-N 2 2 306.494 3.475 20 0 DGADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000886514179 627155792 /nfs/dbraw/zinc/15/57/92/627155792.db2.gz JCYQPNXZXYOYOB-GOSISDBHSA-N 2 2 309.417 3.093 20 0 DGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134104 627227886 /nfs/dbraw/zinc/22/78/86/627227886.db2.gz CBKBJETWVVMJSP-GJZGRUSLSA-N 2 2 322.412 3.495 20 0 DGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134104 627227888 /nfs/dbraw/zinc/22/78/88/627227888.db2.gz CBKBJETWVVMJSP-GJZGRUSLSA-N 2 2 322.412 3.495 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476066 627279076 /nfs/dbraw/zinc/27/90/76/627279076.db2.gz XQDHQNGZHBCDGQ-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811476066 627279080 /nfs/dbraw/zinc/27/90/80/627279080.db2.gz XQDHQNGZHBCDGQ-LLVKDONJSA-N 2 2 302.249 3.210 20 0 DGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811507221 627283624 /nfs/dbraw/zinc/28/36/24/627283624.db2.gz VOGFWUGACGFAGY-LLVKDONJSA-N 2 2 302.249 3.208 20 0 DGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000811507221 627283625 /nfs/dbraw/zinc/28/36/25/627283625.db2.gz VOGFWUGACGFAGY-LLVKDONJSA-N 2 2 302.249 3.208 20 0 DGADLP CC[N@H+](C)[C@H](C(=O)OCC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236513 627292790 /nfs/dbraw/zinc/29/27/90/627292790.db2.gz VRVRGHSKESDNRA-ROUUACIJSA-N 2 2 318.461 3.097 20 0 DGADLP CC[N@@H+](C)[C@H](C(=O)OCC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000840236513 627292794 /nfs/dbraw/zinc/29/27/94/627292794.db2.gz VRVRGHSKESDNRA-ROUUACIJSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000840236513 627292796 /nfs/dbraw/zinc/29/27/96/627292796.db2.gz VRVRGHSKESDNRA-ROUUACIJSA-N 2 2 318.461 3.097 20 0 DGADLP CC[NH+](C)[C@H](C(=O)OCC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000840236513 627292799 /nfs/dbraw/zinc/29/27/99/627292799.db2.gz VRVRGHSKESDNRA-ROUUACIJSA-N 2 2 318.461 3.097 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Br)n1 ZINC000924590702 627653120 /nfs/dbraw/zinc/65/31/20/627653120.db2.gz BXBCIBXCPAUJNA-LLVKDONJSA-N 2 2 324.266 3.122 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000924600489 627655302 /nfs/dbraw/zinc/65/53/02/627655302.db2.gz NKWLGDJJBLENRB-OAHLLOKOSA-N 2 2 305.466 3.395 20 0 DGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000924600489 627655303 /nfs/dbraw/zinc/65/53/03/627655303.db2.gz NKWLGDJJBLENRB-OAHLLOKOSA-N 2 2 305.466 3.395 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924623839 627658722 /nfs/dbraw/zinc/65/87/22/627658722.db2.gz SJMDIGFFHBRSTI-MOPGFXCFSA-N 2 2 309.457 3.384 20 0 DGADLP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924623839 627658725 /nfs/dbraw/zinc/65/87/25/627658725.db2.gz SJMDIGFFHBRSTI-MOPGFXCFSA-N 2 2 309.457 3.384 20 0 DGADLP CCOCc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924639915 627661314 /nfs/dbraw/zinc/66/13/14/627661314.db2.gz UBSGMQSZZZJWQC-MOPGFXCFSA-N 2 2 302.462 3.330 20 0 DGADLP CCOCc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924639915 627661316 /nfs/dbraw/zinc/66/13/16/627661316.db2.gz UBSGMQSZZZJWQC-MOPGFXCFSA-N 2 2 302.462 3.330 20 0 DGADLP c1ccc(N2CCC([NH2+][C@H]3CCOC34CCCCC4)CC2)[nH+]c1 ZINC000924672381 627665778 /nfs/dbraw/zinc/66/57/78/627665778.db2.gz PGBXKRWFKAXYLT-KRWDZBQOSA-N 2 2 315.461 3.132 20 0 DGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000924684348 627667196 /nfs/dbraw/zinc/66/71/96/627667196.db2.gz DZRMMGRLDHCXGV-QYZOEREBSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000924684348 627667198 /nfs/dbraw/zinc/66/71/98/627667198.db2.gz DZRMMGRLDHCXGV-QYZOEREBSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000924684348 627667199 /nfs/dbraw/zinc/66/71/99/627667199.db2.gz DZRMMGRLDHCXGV-QYZOEREBSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000924684348 627667201 /nfs/dbraw/zinc/66/72/01/627667201.db2.gz DZRMMGRLDHCXGV-QYZOEREBSA-N 3 2 307.526 3.105 20 0 DGADLP C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cn2c([nH+]1)CCCC2 ZINC000924693644 627668803 /nfs/dbraw/zinc/66/88/03/627668803.db2.gz FIZOBBFHVGDRHX-CRAIPNDOSA-N 2 2 318.509 3.381 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Br)n1 ZINC000924733722 627675363 /nfs/dbraw/zinc/67/53/63/627675363.db2.gz WCCALKREBHRLRZ-GFCCVEGCSA-N 2 2 323.238 3.172 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2coc3ccccc23)CC1 ZINC000924788841 627680174 /nfs/dbraw/zinc/68/01/74/627680174.db2.gz PMUYUKSVXXJQSV-AWEZNQCLSA-N 2 2 302.418 3.194 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(OC)n1 ZINC000924841350 627686152 /nfs/dbraw/zinc/68/61/52/627686152.db2.gz BYRDVROEOUAJBR-INIZCTEOSA-N 2 2 303.450 3.148 20 0 DGADLP Cc1ccn2cc(C[NH2+]C3CC[NH+](CCC(C)C)CC3)nc2c1 ZINC000924949211 627696521 /nfs/dbraw/zinc/69/65/21/627696521.db2.gz JAKNPKKGLJYULS-UHFFFAOYSA-N 2 2 314.477 3.243 20 0 DGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000925074639 627706136 /nfs/dbraw/zinc/70/61/36/627706136.db2.gz MTZLQZYSWTUIQE-LLVKDONJSA-N 2 2 305.397 3.343 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000925235343 627721876 /nfs/dbraw/zinc/72/18/76/627721876.db2.gz SSKAUBAYBMCWFP-GBESFXJTSA-N 2 2 301.478 3.428 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccnc1 ZINC000925235343 627721880 /nfs/dbraw/zinc/72/18/80/627721880.db2.gz SSKAUBAYBMCWFP-GBESFXJTSA-N 2 2 301.478 3.428 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000925235345 627722141 /nfs/dbraw/zinc/72/21/41/627722141.db2.gz SSKAUBAYBMCWFP-OTWHNJEPSA-N 2 2 301.478 3.428 20 0 DGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000925235345 627722142 /nfs/dbraw/zinc/72/21/42/627722142.db2.gz SSKAUBAYBMCWFP-OTWHNJEPSA-N 2 2 301.478 3.428 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925292147 627728209 /nfs/dbraw/zinc/72/82/09/627728209.db2.gz IRZFXOONELCKJR-QXSJWSMHSA-N 2 2 308.491 3.167 20 0 DGADLP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925292147 627728214 /nfs/dbraw/zinc/72/82/14/627728214.db2.gz IRZFXOONELCKJR-QXSJWSMHSA-N 2 2 308.491 3.167 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc2c1OCO2 ZINC000925307079 627729210 /nfs/dbraw/zinc/72/92/10/627729210.db2.gz KYOAGYLLMHMYST-CYBMUJFWSA-N 2 2 304.434 3.329 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000925493257 627741823 /nfs/dbraw/zinc/74/18/23/627741823.db2.gz JSJQSMWPUUTQTM-JXFKEZNVSA-N 2 2 309.457 3.334 20 0 DGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(-c2cccnc2)cc1 ZINC000925528567 627748443 /nfs/dbraw/zinc/74/84/43/627748443.db2.gz FRFSUIZQXNMSSU-YUKRFCOZSA-N 2 2 319.452 3.396 20 0 DGADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1OC(F)F ZINC000925538603 627750081 /nfs/dbraw/zinc/75/00/81/627750081.db2.gz VLPCBANQIUMAAB-QKZBUQIKSA-N 2 2 322.399 3.325 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000925541028 627750737 /nfs/dbraw/zinc/75/07/37/627750737.db2.gz GZYDRBXHYTXCQL-SGZDXZSOSA-N 3 2 315.505 3.462 20 0 DGADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)[C@@H]2C1 ZINC000925579420 627757977 /nfs/dbraw/zinc/75/79/77/627757977.db2.gz FNPCDJMEAOTIIK-IKGGRYGDSA-N 2 2 324.534 3.038 20 0 DGADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)[C@@H]2C1 ZINC000925579420 627757980 /nfs/dbraw/zinc/75/79/80/627757980.db2.gz FNPCDJMEAOTIIK-IKGGRYGDSA-N 2 2 324.534 3.038 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccccc1 ZINC000925596611 627760920 /nfs/dbraw/zinc/76/09/20/627760920.db2.gz XXRKOZQBPSNIAW-PXAZEXFGSA-N 2 2 306.356 3.022 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)N[C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000925621258 627764371 /nfs/dbraw/zinc/76/43/71/627764371.db2.gz GKGMMQMPJQNWTN-RBUKOAKNSA-N 2 2 324.472 3.115 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925639938 627767742 /nfs/dbraw/zinc/76/77/42/627767742.db2.gz NJKSDIPEIYGRHR-MXSMSXNCSA-N 2 2 316.493 3.208 20 0 DGADLP c1ccc([C@H](Cc2ccccn2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925641997 627768386 /nfs/dbraw/zinc/76/83/86/627768386.db2.gz FHDGXHAGHDKQOI-OALUTQOASA-N 2 2 307.441 3.240 20 0 DGADLP Cc1ccc([C@H](C2CCC2)[N@@H+]2CCc3sc(C[NH3+])nc3C2)o1 ZINC000925752083 627787032 /nfs/dbraw/zinc/78/70/32/627787032.db2.gz SNSNWTNWODGSSS-KRWDZBQOSA-N 2 2 317.458 3.403 20 0 DGADLP Cc1ccc([C@H](C2CCC2)[N@H+]2CCc3sc(C[NH3+])nc3C2)o1 ZINC000925752083 627787035 /nfs/dbraw/zinc/78/70/35/627787035.db2.gz SNSNWTNWODGSSS-KRWDZBQOSA-N 2 2 317.458 3.403 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1F ZINC000925781608 627794197 /nfs/dbraw/zinc/79/41/97/627794197.db2.gz ISRGGXHUMGOJRK-HZMBPMFUSA-N 2 2 304.331 3.250 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)s1 ZINC000925795759 627796149 /nfs/dbraw/zinc/79/61/49/627796149.db2.gz PRMDIUCQAZPECG-KGLIPLIRSA-N 2 2 308.491 3.120 20 0 DGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ncccc1Cl ZINC000925814759 627799060 /nfs/dbraw/zinc/79/90/60/627799060.db2.gz PNQDHWFKYZTLSJ-TZMCWYRMSA-N 2 2 304.825 3.377 20 0 DGADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925826435 627800645 /nfs/dbraw/zinc/80/06/45/627800645.db2.gz MRZVTXDOVZDABK-FVKYHDCVSA-N 2 2 310.441 3.019 20 0 DGADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925826434 627801020 /nfs/dbraw/zinc/80/10/20/627801020.db2.gz MRZVTXDOVZDABK-BQZATALTSA-N 2 2 310.441 3.019 20 0 DGADLP COCc1nc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cs1 ZINC000926451192 627898091 /nfs/dbraw/zinc/89/80/91/627898091.db2.gz XGZRJZUOWXFIRB-CYBMUJFWSA-N 2 2 319.474 3.202 20 0 DGADLP C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cccc(C[NH+](C)C)c1 ZINC000926571051 627915902 /nfs/dbraw/zinc/91/59/02/627915902.db2.gz PKOACONKVZAKLO-CYBMUJFWSA-N 2 2 315.465 3.015 20 0 DGADLP CC1(C)CC2(CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)CO1 ZINC000926745113 627945949 /nfs/dbraw/zinc/94/59/49/627945949.db2.gz LMUJBKDHYPZSSL-RMXPPQQLSA-N 2 2 306.494 3.331 20 0 DGADLP CC1(C)CC2(CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)CO1 ZINC000926745113 627945952 /nfs/dbraw/zinc/94/59/52/627945952.db2.gz LMUJBKDHYPZSSL-RMXPPQQLSA-N 2 2 306.494 3.331 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817906036 627958190 /nfs/dbraw/zinc/95/81/90/627958190.db2.gz SHNFIQDFBHOMAY-BPNCWPANSA-N 2 2 317.260 3.147 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805008 627958448 /nfs/dbraw/zinc/95/84/48/627958448.db2.gz LVKBEQYDGLPODB-CEXWTWQISA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805008 627958450 /nfs/dbraw/zinc/95/84/50/627958450.db2.gz LVKBEQYDGLPODB-CEXWTWQISA-N 2 2 308.510 3.434 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817924811 627963525 /nfs/dbraw/zinc/96/35/25/627963525.db2.gz KAJKLDRQTQZXRX-UIAACRFSSA-N 2 2 310.441 3.117 20 0 DGADLP C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926853312 627963701 /nfs/dbraw/zinc/96/37/01/627963701.db2.gz UUDZAIDLHNONQR-OAHLLOKOSA-N 2 2 310.445 3.268 20 0 DGADLP C[C@@H]1CC2(CC([NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)C2)CO1 ZINC000926863336 627965775 /nfs/dbraw/zinc/96/57/75/627965775.db2.gz KNEIWPVCCYIHKU-IZIZEDOESA-N 2 2 311.429 3.172 20 0 DGADLP COCc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1OC ZINC000817954351 627973115 /nfs/dbraw/zinc/97/31/15/627973115.db2.gz CBOMZNVUBSYCQQ-KSSFIOAISA-N 2 2 314.429 3.192 20 0 DGADLP CCO[C@@H](C[NH2+][C@H](C)c1cc2cccc(OC)c2o1)C[NH+](C)C ZINC000926960706 627989691 /nfs/dbraw/zinc/98/96/91/627989691.db2.gz GUUMFPXJHYIFSD-HIFRSBDPSA-N 2 2 320.433 3.059 20 0 DGADLP Cc1cc(NCc2c[nH+]cn2C(C)C)ccc1OCC[NH+](C)C ZINC000818215618 628005701 /nfs/dbraw/zinc/00/57/01/628005701.db2.gz LBWPUVVIQGZIBS-UHFFFAOYSA-N 2 2 316.449 3.325 20 0 DGADLP Cc1ccc([C@H](O)C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC000819340237 628136553 /nfs/dbraw/zinc/13/65/53/628136553.db2.gz UCXSJGLILHRNDI-RBUKOAKNSA-N 2 2 304.478 3.129 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401626 628364328 /nfs/dbraw/zinc/36/43/28/628364328.db2.gz GEDJNJPKVLUIAW-CYBMUJFWSA-N 2 2 319.368 3.259 20 0 DGADLP COc1cc(C)ccc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000823683550 628586794 /nfs/dbraw/zinc/58/67/94/628586794.db2.gz BCFLNCXXNKCLJQ-KRWDZBQOSA-N 2 2 301.434 3.405 20 0 DGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(F)F ZINC000824509424 628665874 /nfs/dbraw/zinc/66/58/74/628665874.db2.gz MSFNGURXQGJMKV-MRXNPFEDSA-N 2 2 311.420 3.355 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Cl ZINC000824987779 628713633 /nfs/dbraw/zinc/71/36/33/628713633.db2.gz ABOQPDHUTJKEQH-GOOCMWNKSA-N 2 2 324.900 3.360 20 0 DGADLP CCCCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000824987779 628713636 /nfs/dbraw/zinc/71/36/36/628713636.db2.gz ABOQPDHUTJKEQH-GOOCMWNKSA-N 2 2 324.900 3.360 20 0 DGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000827599559 628975600 /nfs/dbraw/zinc/97/56/00/628975600.db2.gz IBSVFWZUWNYSNP-CVEARBPZSA-N 2 2 312.417 3.020 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000831982069 629433279 /nfs/dbraw/zinc/43/32/79/629433279.db2.gz RWPWPFZXIOBEAM-MSOLQXFVSA-N 2 2 322.880 3.324 20 0 DGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000831982069 629433282 /nfs/dbraw/zinc/43/32/82/629433282.db2.gz RWPWPFZXIOBEAM-MSOLQXFVSA-N 2 2 322.880 3.324 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841009331 630395039 /nfs/dbraw/zinc/39/50/39/630395039.db2.gz MPQLYUTVDSFWIK-IAGOWNOFSA-N 2 2 308.441 3.102 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841009331 630395043 /nfs/dbraw/zinc/39/50/43/630395043.db2.gz MPQLYUTVDSFWIK-IAGOWNOFSA-N 2 2 308.441 3.102 20 0 DGADLP Fc1ccccc1COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000841035763 630399997 /nfs/dbraw/zinc/39/99/97/630399997.db2.gz LMKJJEHHJMFLSL-QGZVFWFLSA-N 2 2 314.404 3.246 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843058516 630609860 /nfs/dbraw/zinc/60/98/60/630609860.db2.gz VAWIEMBQDRADEQ-GXTWGEPZSA-N 2 2 318.852 3.003 20 0 DGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843058516 630609862 /nfs/dbraw/zinc/60/98/62/630609862.db2.gz VAWIEMBQDRADEQ-GXTWGEPZSA-N 2 2 318.852 3.003 20 0 DGADLP Clc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(Cl)n1 ZINC000843345601 630648151 /nfs/dbraw/zinc/64/81/51/630648151.db2.gz ZSJGAGGHYJHVBY-UHFFFAOYSA-N 2 2 300.233 3.105 20 0 DGADLP Clc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(Cl)n1 ZINC000843345601 630648154 /nfs/dbraw/zinc/64/81/54/630648154.db2.gz ZSJGAGGHYJHVBY-UHFFFAOYSA-N 2 2 300.233 3.105 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@](C)(O)c1ccccc1 ZINC000846041206 631207726 /nfs/dbraw/zinc/20/77/26/631207726.db2.gz YSRYDDLXRUGTJU-UZLBHIALSA-N 2 2 321.424 3.258 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000846117413 631210485 /nfs/dbraw/zinc/21/04/85/631210485.db2.gz CVIKXZPTUYMQEK-KRWDZBQOSA-N 2 2 320.477 3.300 20 0 DGADLP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000846117413 631210486 /nfs/dbraw/zinc/21/04/86/631210486.db2.gz CVIKXZPTUYMQEK-KRWDZBQOSA-N 2 2 320.477 3.300 20 0 DGADLP COc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccn1 ZINC000848520735 631675540 /nfs/dbraw/zinc/67/55/40/631675540.db2.gz KEXSPYVRZJBIHD-HIFRSBDPSA-N 2 2 302.422 3.052 20 0 DGADLP C[C@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848527001 631677808 /nfs/dbraw/zinc/67/78/08/631677808.db2.gz OROYMISCUAHVOB-PBHICJAKSA-N 2 2 322.880 3.114 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575438 631701138 /nfs/dbraw/zinc/70/11/38/631701138.db2.gz QQFSCCWIKYGGIE-ZWKOTPCHSA-N 2 2 302.462 3.021 20 0 DGADLP CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575438 631701144 /nfs/dbraw/zinc/70/11/44/631701144.db2.gz QQFSCCWIKYGGIE-ZWKOTPCHSA-N 2 2 302.462 3.021 20 0 DGADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848930854 631792390 /nfs/dbraw/zinc/79/23/90/631792390.db2.gz XRSPMJVEIMPPST-LJQANCHMSA-N 2 2 316.489 3.497 20 0 DGADLP CC(C)c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848930854 631792393 /nfs/dbraw/zinc/79/23/93/631792393.db2.gz XRSPMJVEIMPPST-LJQANCHMSA-N 2 2 316.489 3.497 20 0 DGADLP CCCNC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000848981431 631796284 /nfs/dbraw/zinc/79/62/84/631796284.db2.gz WIGGFDRKOZCVKG-HNNXBMFYSA-N 2 2 308.857 3.001 20 0 DGADLP CSc1ccc([C@H](CNC(=[NH2+])NC2CCCC2)[NH+](C)C)cc1 ZINC000849110395 631838174 /nfs/dbraw/zinc/83/81/74/631838174.db2.gz WCBNDTJEZDWEPB-INIZCTEOSA-N 2 2 320.506 3.068 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925486496 632005718 /nfs/dbraw/zinc/00/57/18/632005718.db2.gz HSNQQJVWBDYUKX-HKUYNNGSSA-N 3 2 303.494 3.321 20 0 DGADLP Cc1[nH]c(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)[nH+]c1C ZINC000850280814 632101862 /nfs/dbraw/zinc/10/18/62/632101862.db2.gz JMOAMZXIMKVCRB-HNNXBMFYSA-N 2 2 300.406 3.024 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC000999765642 660427043 /nfs/dbraw/zinc/42/70/43/660427043.db2.gz PQQPBTNUKLSKLN-KRWDZBQOSA-N 2 2 315.461 3.001 20 0 DGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000700817155 660637456 /nfs/dbraw/zinc/63/74/56/660637456.db2.gz QWQJEILGAZDVJO-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cscc2Br)C1 ZINC000700817155 660637458 /nfs/dbraw/zinc/63/74/58/660637458.db2.gz QWQJEILGAZDVJO-LLVKDONJSA-N 2 2 317.296 3.332 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC000793048182 661001906 /nfs/dbraw/zinc/00/19/06/661001906.db2.gz QJTVYDAKYXVMNL-XHSDSOJGSA-N 2 2 320.477 3.270 20 0 DGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1OC ZINC000793048182 661001908 /nfs/dbraw/zinc/00/19/08/661001908.db2.gz QJTVYDAKYXVMNL-XHSDSOJGSA-N 2 2 320.477 3.270 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2F)CC[N@@H+]1Cc1ccccc1 ZINC000793289221 661021690 /nfs/dbraw/zinc/02/16/90/661021690.db2.gz LJRANYNHTYKUKI-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2F)CC[N@H+]1Cc1ccccc1 ZINC000793289221 661021691 /nfs/dbraw/zinc/02/16/91/661021691.db2.gz LJRANYNHTYKUKI-CRAIPNDOSA-N 2 2 313.420 3.363 20 0 DGADLP O[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000052005115 655799419 /nfs/dbraw/zinc/79/94/19/655799419.db2.gz PEIVWQIJAQRPNB-SFHVURJKSA-N 2 2 322.880 3.324 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226437410 655816152 /nfs/dbraw/zinc/81/61/52/655816152.db2.gz NMCDWLCTNMQYPF-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226437410 655816153 /nfs/dbraw/zinc/81/61/53/655816153.db2.gz NMCDWLCTNMQYPF-LLVKDONJSA-N 2 2 315.230 3.020 20 0 DGADLP Cc1cc(C)c(C(=O)NC2CCC([NH2+]CC3CC3)CC2)c(C)[nH+]1 ZINC001026531724 656166298 /nfs/dbraw/zinc/16/62/98/656166298.db2.gz YGQRTROGSYWJCF-UHFFFAOYSA-N 2 2 315.461 3.047 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCc2ccns2)CC1 ZINC000931686098 656491249 /nfs/dbraw/zinc/49/12/49/656491249.db2.gz JSWSXTXIQWZYQM-UHFFFAOYSA-N 2 2 307.507 3.416 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000261544960 656906435 /nfs/dbraw/zinc/90/64/35/656906435.db2.gz FKDUWHLWRWOBMJ-CYBMUJFWSA-N 2 2 303.219 3.051 20 0 DGADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1)c1ccc(F)cc1 ZINC000303259510 657526308 /nfs/dbraw/zinc/52/63/08/657526308.db2.gz MFPPDRGNSQKECS-MRXNPFEDSA-N 2 2 300.381 3.065 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1NCCC2 ZINC000321211585 658100240 /nfs/dbraw/zinc/10/02/40/658100240.db2.gz WVNSAJXFEIROLM-QGZVFWFLSA-N 2 2 312.461 3.446 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(Br)c3)C[C@H]21 ZINC000228471338 659192606 /nfs/dbraw/zinc/19/26/06/659192606.db2.gz LJIUEFYJWWYHKT-IJLUTSLNSA-N 2 2 315.280 3.070 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(Br)c3)C[C@H]21 ZINC000228471338 659192608 /nfs/dbraw/zinc/19/26/08/659192608.db2.gz LJIUEFYJWWYHKT-IJLUTSLNSA-N 2 2 315.280 3.070 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2nc3ccccc3n2CC)CC1 ZINC000061028121 659227153 /nfs/dbraw/zinc/22/71/53/659227153.db2.gz CRSHEYAZINHFGT-UHFFFAOYSA-N 2 2 300.450 3.020 20 0 DGADLP O[C@H](C[NH2+]C1CCCCCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000238121042 659959276 /nfs/dbraw/zinc/95/92/76/659959276.db2.gz KGMACWQSISQAPA-HXUWFJFHSA-N 2 2 316.489 3.108 20 0 DGADLP O[C@H](C[NH2+]C1CCCCCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000238121042 659959277 /nfs/dbraw/zinc/95/92/77/659959277.db2.gz KGMACWQSISQAPA-HXUWFJFHSA-N 2 2 316.489 3.108 20 0 DGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000929703926 661330475 /nfs/dbraw/zinc/33/04/75/661330475.db2.gz OWWFLMCRGZJFIG-HNNXBMFYSA-N 2 2 312.461 3.123 20 0 DGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000929703926 661330478 /nfs/dbraw/zinc/33/04/78/661330478.db2.gz OWWFLMCRGZJFIG-HNNXBMFYSA-N 2 2 312.461 3.123 20 0 DGADLP CCc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000929754425 661334874 /nfs/dbraw/zinc/33/48/74/661334874.db2.gz ODMLYJRLLHRGOW-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000929754425 661334876 /nfs/dbraw/zinc/33/48/76/661334876.db2.gz ODMLYJRLLHRGOW-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000929754425 661334877 /nfs/dbraw/zinc/33/48/77/661334877.db2.gz ODMLYJRLLHRGOW-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP CCc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000929754425 661334878 /nfs/dbraw/zinc/33/48/78/661334878.db2.gz ODMLYJRLLHRGOW-KRWDZBQOSA-N 2 2 313.445 3.191 20 0 DGADLP COC/C(C)=C/C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929980468 661355295 /nfs/dbraw/zinc/35/52/95/661355295.db2.gz FNKAGUCPVJUVCR-RQZCQDPDSA-N 2 2 302.462 3.176 20 0 DGADLP COC/C(C)=C/C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929980468 661355299 /nfs/dbraw/zinc/35/52/99/661355299.db2.gz FNKAGUCPVJUVCR-RQZCQDPDSA-N 2 2 302.462 3.176 20 0 DGADLP c1c2ccccc2oc1C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288066 661464674 /nfs/dbraw/zinc/46/46/74/661464674.db2.gz FCZFTOLCSRVMLA-UHFFFAOYSA-N 2 2 314.429 3.120 20 0 DGADLP c1c2ccccc2oc1C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288066 661464676 /nfs/dbraw/zinc/46/46/76/661464676.db2.gz FCZFTOLCSRVMLA-UHFFFAOYSA-N 2 2 314.429 3.120 20 0 DGADLP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)c3cccc4ccccc43)C[C@@]2(C)C1 ZINC000931314924 661466627 /nfs/dbraw/zinc/46/66/27/661466627.db2.gz SFMGQABSVWKNRO-PWRODBHTSA-N 2 2 324.468 3.147 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](CCCc3c(F)cccc3F)C[C@]2(C)C1 ZINC000931318964 661466816 /nfs/dbraw/zinc/46/68/16/661466816.db2.gz WCFUBGMZZPRCRB-HDICACEKSA-N 2 2 308.416 3.171 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](CCCc3c(F)cccc3F)C[C@]2(C)C1 ZINC000931318964 661466818 /nfs/dbraw/zinc/46/68/18/661466818.db2.gz WCFUBGMZZPRCRB-HDICACEKSA-N 2 2 308.416 3.171 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](CCCc3c(F)cccc3F)C[C@]2(C)C1 ZINC000931318964 661466822 /nfs/dbraw/zinc/46/68/22/661466822.db2.gz WCFUBGMZZPRCRB-HDICACEKSA-N 2 2 308.416 3.171 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](CCCc3c(F)cccc3F)C[C@]2(C)C1 ZINC000931318964 661466824 /nfs/dbraw/zinc/46/68/24/661466824.db2.gz WCFUBGMZZPRCRB-HDICACEKSA-N 2 2 308.416 3.171 20 0 DGADLP CC(C)CCc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cs1 ZINC000931433774 661476090 /nfs/dbraw/zinc/47/60/90/661476090.db2.gz HYMNEXPUNFSTKI-LSDHHAIUSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cs1 ZINC000931433774 661476094 /nfs/dbraw/zinc/47/60/94/661476094.db2.gz HYMNEXPUNFSTKI-LSDHHAIUSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cs1 ZINC000931433774 661476095 /nfs/dbraw/zinc/47/60/95/661476095.db2.gz HYMNEXPUNFSTKI-LSDHHAIUSA-N 2 2 307.507 3.115 20 0 DGADLP CC(C)CCc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cs1 ZINC000931433774 661476096 /nfs/dbraw/zinc/47/60/96/661476096.db2.gz HYMNEXPUNFSTKI-LSDHHAIUSA-N 2 2 307.507 3.115 20 0 DGADLP CC[C@H](OCC[N@@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931515741 661484716 /nfs/dbraw/zinc/48/47/16/661484716.db2.gz JODUMTNXIBGCHU-IBGZPJMESA-N 2 2 311.429 3.190 20 0 DGADLP CC[C@H](OCC[N@H+]1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC000931515741 661484717 /nfs/dbraw/zinc/48/47/17/661484717.db2.gz JODUMTNXIBGCHU-IBGZPJMESA-N 2 2 311.429 3.190 20 0 DGADLP c1cn(CCC[NH2+]Cc2ccccc2OCc2cccnc2)c[nH+]1 ZINC000075733849 661945456 /nfs/dbraw/zinc/94/54/56/661945456.db2.gz YVAKDNUWIJMCNS-UHFFFAOYSA-N 2 2 322.412 3.037 20 0 DGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000387847888 685186363 /nfs/dbraw/zinc/18/63/63/685186363.db2.gz BBUSJZRXRNZWGB-IKGGRYGDSA-N 3 2 306.498 3.198 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001072327259 686903142 /nfs/dbraw/zinc/90/31/42/686903142.db2.gz DSEGXYYOLYVGRR-GUYCJALGSA-N 2 2 317.477 3.103 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001576650176 1191859573 /nfs/dbraw/zinc/85/95/73/1191859573.db2.gz JYVFWDULWIVTIZ-UPJWGTAASA-N 2 2 314.832 3.306 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccc(F)c(Cl)c2)[C@@H]1C ZINC001576650176 1191859575 /nfs/dbraw/zinc/85/95/75/1191859575.db2.gz JYVFWDULWIVTIZ-UPJWGTAASA-N 2 2 314.832 3.306 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC001576669912 1191860476 /nfs/dbraw/zinc/86/04/76/1191860476.db2.gz CAYFDQMDAKNWPM-HKUYNNGSSA-N 3 2 303.494 3.148 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001576669912 1191860478 /nfs/dbraw/zinc/86/04/78/1191860478.db2.gz CAYFDQMDAKNWPM-HKUYNNGSSA-N 3 2 303.494 3.148 20 0 DGADLP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CCC(C)(C)C ZINC001577182713 1191887783 /nfs/dbraw/zinc/88/77/83/1191887783.db2.gz RIQUVTKQXYZIJK-MSOLQXFVSA-N 2 2 306.494 3.413 20 0 DGADLP CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]([NH3+])CCC(C)(C)C ZINC001577182713 1191887785 /nfs/dbraw/zinc/88/77/85/1191887785.db2.gz RIQUVTKQXYZIJK-MSOLQXFVSA-N 2 2 306.494 3.413 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001578275389 1191936469 /nfs/dbraw/zinc/93/64/69/1191936469.db2.gz KZRYXKNQLPWLTP-RMXPPQQLSA-N 2 2 302.462 3.186 20 0 DGADLP Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514385 1191978371 /nfs/dbraw/zinc/97/83/71/1191978371.db2.gz OCTLBCDAAPEXGW-RDJZCZTQSA-N 2 2 304.482 3.146 20 0 DGADLP Cc1[nH]nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514385 1191978372 /nfs/dbraw/zinc/97/83/72/1191978372.db2.gz OCTLBCDAAPEXGW-RDJZCZTQSA-N 2 2 304.482 3.146 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001579548525 1191979722 /nfs/dbraw/zinc/97/97/22/1191979722.db2.gz WJQSWUKZRUQQBW-YLJYHZDGSA-N 3 2 324.472 3.145 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001579548525 1191979723 /nfs/dbraw/zinc/97/97/23/1191979723.db2.gz WJQSWUKZRUQQBW-YLJYHZDGSA-N 3 2 324.472 3.145 20 0 DGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1C ZINC001579884304 1191997894 /nfs/dbraw/zinc/99/78/94/1191997894.db2.gz YXGDKNMICZMAAB-SOLBZPMBSA-N 2 2 310.445 3.289 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)C1CCCCC1 ZINC001580228472 1192015220 /nfs/dbraw/zinc/01/52/20/1192015220.db2.gz BZHCKGGBPLEZSM-AWEZNQCLSA-N 2 2 305.447 3.400 20 0 DGADLP C[C@@H]1CC=CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001620661100 1192061418 /nfs/dbraw/zinc/06/14/18/1192061418.db2.gz MODMGRDFZNGQGV-UYAOXDASSA-N 2 2 313.489 3.143 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC001620699221 1192069854 /nfs/dbraw/zinc/06/98/54/1192069854.db2.gz HRDMTUKZSBXXER-UHFFFAOYSA-N 2 2 301.478 3.172 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCC2 ZINC001620803128 1192084124 /nfs/dbraw/zinc/08/41/24/1192084124.db2.gz JWZAILUPYNONAY-JKSUJKDBSA-N 2 2 317.458 3.371 20 0 DGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001620957965 1192653398 /nfs/dbraw/zinc/65/33/98/1192653398.db2.gz WYAWULQNHLXONI-ZDUSSCGKSA-N 2 2 305.809 3.109 20 0 DGADLP CC(C)Oc1ncccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000378915151 1176753394 /nfs/dbraw/zinc/75/33/94/1176753394.db2.gz VTMGTBFCOLMBHD-UHFFFAOYSA-N 2 2 322.412 3.344 20 0 DGADLP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC001331288722 1178175613 /nfs/dbraw/zinc/17/56/13/1178175613.db2.gz HLFAMVUKMWSETC-OAHLLOKOSA-N 2 2 312.417 3.069 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)cc2)[nH+]c1C ZINC001331419654 1178209460 /nfs/dbraw/zinc/20/94/60/1178209460.db2.gz NDWLPLZUUMHPEP-LSDHHAIUSA-N 2 2 312.417 3.005 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H](C)C(F)(F)F ZINC001331610842 1178258909 /nfs/dbraw/zinc/25/89/09/1178258909.db2.gz PZGGOYOYLWSDNF-SECBINFHSA-N 2 2 312.295 3.103 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H](C)C(F)(F)F ZINC001331610843 1178259443 /nfs/dbraw/zinc/25/94/43/1178259443.db2.gz PZGGOYOYLWSDNF-VIFPVBQESA-N 2 2 312.295 3.103 20 0 DGADLP CCC[C@H](C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC001333001475 1178538471 /nfs/dbraw/zinc/53/84/71/1178538471.db2.gz YAWCKKGNRQNSLV-SJORKVTESA-N 2 2 301.434 3.109 20 0 DGADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001334391657 1178758174 /nfs/dbraw/zinc/75/81/74/1178758174.db2.gz XALFYGBHLZBLCY-QFBILLFUSA-N 2 2 319.493 3.180 20 0 DGADLP CC(C)c1nnc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC001334965203 1178836640 /nfs/dbraw/zinc/83/66/40/1178836640.db2.gz MFCPPBRDESHFMW-UHFFFAOYSA-N 2 2 322.453 3.152 20 0 DGADLP CNc1cc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nc[nH+]1 ZINC001335431996 1178910369 /nfs/dbraw/zinc/91/03/69/1178910369.db2.gz FYWQIHZKPUVCSX-AWEZNQCLSA-N 2 2 311.433 3.156 20 0 DGADLP COCCCC1(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC1 ZINC001335483866 1178918739 /nfs/dbraw/zinc/91/87/39/1178918739.db2.gz SEDNATWXQQEVRK-QGZVFWFLSA-N 2 2 319.493 3.272 20 0 DGADLP COCCCC1(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC1 ZINC001335483866 1178918744 /nfs/dbraw/zinc/91/87/44/1178918744.db2.gz SEDNATWXQQEVRK-QGZVFWFLSA-N 2 2 319.493 3.272 20 0 DGADLP C[NH+](C)CC[C@H]([NH2+]CCc1ccc(F)cc1F)c1cccnc1 ZINC001335559817 1178930281 /nfs/dbraw/zinc/93/02/81/1178930281.db2.gz GPWCYRPVWLKQLO-SFHVURJKSA-N 2 2 319.399 3.185 20 0 DGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001341584410 1179033360 /nfs/dbraw/zinc/03/33/60/1179033360.db2.gz DWFYUHNGVIYDCE-JQFCIGGWSA-N 2 2 324.428 3.326 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C[C@@H]([NH3+])CC(C)C)cc2)[nH+]c1C ZINC001342454987 1179142333 /nfs/dbraw/zinc/14/23/33/1179142333.db2.gz RRYLLFPUOSNKPL-HNNXBMFYSA-N 2 2 314.433 3.396 20 0 DGADLP c1cn2c(cccc2C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001621045974 1192956678 /nfs/dbraw/zinc/95/66/78/1192956678.db2.gz NSXMAWLFWUQBRK-SFHVURJKSA-N 2 2 317.396 3.062 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC001345482176 1179564949 /nfs/dbraw/zinc/56/49/49/1179564949.db2.gz LAKICJUHZPNEPI-ZANVPECISA-N 2 2 315.230 3.163 20 0 DGADLP Cc1cccn2cc(CC(=O)Nc3ccc(C(C)(C)[NH3+])cc3)[nH+]c12 ZINC001345613000 1179580593 /nfs/dbraw/zinc/58/05/93/1179580593.db2.gz RHISHEWCRRWVAG-UHFFFAOYSA-N 2 2 322.412 3.018 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001347468352 1179813448 /nfs/dbraw/zinc/81/34/48/1179813448.db2.gz UZAATPRMPQCRMF-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001347468352 1179813453 /nfs/dbraw/zinc/81/34/53/1179813453.db2.gz UZAATPRMPQCRMF-OAHLLOKOSA-N 2 2 308.429 3.356 20 0 DGADLP FC1(F)CCC(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001349709285 1179938185 /nfs/dbraw/zinc/93/81/85/1179938185.db2.gz JFNNBRHEIVUZCS-INIZCTEOSA-N 2 2 316.436 3.045 20 0 DGADLP FC1(F)CCC(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001349709285 1179938189 /nfs/dbraw/zinc/93/81/89/1179938189.db2.gz JFNNBRHEIVUZCS-INIZCTEOSA-N 2 2 316.436 3.045 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CC(CC4CCOCC4)C3)cc2)c[nH+]1 ZINC001350329275 1180053891 /nfs/dbraw/zinc/05/38/91/1180053891.db2.gz CVJUWTZKDBXHJA-UHFFFAOYSA-N 2 2 311.429 3.121 20 0 DGADLP [NH3+][C@@H](c1nc([C@@H]([NH3+])c2ccccc2)no1)C1CCCCCC1 ZINC001352141081 1180301370 /nfs/dbraw/zinc/30/13/70/1180301370.db2.gz GVFJDTGLLBDCQY-LSDHHAIUSA-N 2 2 300.406 3.088 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC001647035175 1195241690 /nfs/dbraw/zinc/24/16/90/1195241690.db2.gz FZGNREMWUROAFA-CHWSQXEVSA-N 2 2 316.367 3.390 20 0 DGADLP Cc1cc(C)c(C(=O)NCC2CC([NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001100522121 1180758558 /nfs/dbraw/zinc/75/85/58/1180758558.db2.gz CNPMKPXXRUGOLJ-UHFFFAOYSA-N 2 2 317.477 3.151 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001354461334 1180802300 /nfs/dbraw/zinc/80/23/00/1180802300.db2.gz WTPXFHBRTWWCMV-DLBZAZTESA-N 2 2 317.477 3.166 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001354461334 1180802312 /nfs/dbraw/zinc/80/23/12/1180802312.db2.gz WTPXFHBRTWWCMV-DLBZAZTESA-N 2 2 317.477 3.166 20 0 DGADLP CC(C)CC1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001460488846 1182692039 /nfs/dbraw/zinc/69/20/39/1182692039.db2.gz QZRFUQKPEQIIFO-UHFFFAOYSA-N 2 2 315.505 3.367 20 0 DGADLP Cc1cccc(C)c1OCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460665120 1182706358 /nfs/dbraw/zinc/70/63/58/1182706358.db2.gz QVDIKHXYTZLGRV-UHFFFAOYSA-N 2 2 311.429 3.108 20 0 DGADLP Cc1cccc(C)c1OCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460665120 1182706363 /nfs/dbraw/zinc/70/63/63/1182706363.db2.gz QVDIKHXYTZLGRV-UHFFFAOYSA-N 2 2 311.429 3.108 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001460971332 1182749658 /nfs/dbraw/zinc/74/96/58/1182749658.db2.gz IEQBJUQTHRJGPJ-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001460971332 1182749664 /nfs/dbraw/zinc/74/96/64/1182749664.db2.gz IEQBJUQTHRJGPJ-ZDUSSCGKSA-N 2 2 304.463 3.474 20 0 DGADLP Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001461198547 1182780294 /nfs/dbraw/zinc/78/02/94/1182780294.db2.gz XQQVWILTWWXCBD-SFHVURJKSA-N 2 2 319.412 3.138 20 0 DGADLP Cc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC001461354639 1182799006 /nfs/dbraw/zinc/79/90/06/1182799006.db2.gz KNXZDPQQMYIEMD-LJQANCHMSA-N 2 2 324.472 3.451 20 0 DGADLP Cc1n[nH]cc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001461370129 1182800829 /nfs/dbraw/zinc/80/08/29/1182800829.db2.gz PJGIFDFVEIUDEX-GOSISDBHSA-N 2 2 309.417 3.063 20 0 DGADLP CCn1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC001461407616 1182807760 /nfs/dbraw/zinc/80/77/60/1182807760.db2.gz WGKVKOJZWKAWEJ-CQSZACIVSA-N 2 2 309.417 3.248 20 0 DGADLP Fc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001461641615 1182835972 /nfs/dbraw/zinc/83/59/72/1182835972.db2.gz GGQAFZSLYMZOSR-QGZVFWFLSA-N 2 2 323.371 3.105 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657316 1182839037 /nfs/dbraw/zinc/83/90/37/1182839037.db2.gz ZCBLRQUXEDIHDG-DLBZAZTESA-N 2 2 302.462 3.017 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657316 1182839040 /nfs/dbraw/zinc/83/90/40/1182839040.db2.gz ZCBLRQUXEDIHDG-DLBZAZTESA-N 2 2 302.462 3.017 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001461811504 1182857841 /nfs/dbraw/zinc/85/78/41/1182857841.db2.gz NUKPRNOAODVBRF-ZWKOTPCHSA-N 2 2 308.510 3.293 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001461811504 1182857849 /nfs/dbraw/zinc/85/78/49/1182857849.db2.gz NUKPRNOAODVBRF-ZWKOTPCHSA-N 2 2 308.510 3.293 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001462150751 1182915681 /nfs/dbraw/zinc/91/56/81/1182915681.db2.gz YAEQZWZBYILBTQ-UHFFFAOYSA-N 2 2 324.509 3.212 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCC(C)(C)CO)C[N@@H+]1Cc1ccccc1 ZINC001462275140 1182932864 /nfs/dbraw/zinc/93/28/64/1182932864.db2.gz PSGZYKVPBXKHIG-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCC(C)(C)CO)C[N@H+]1Cc1ccccc1 ZINC001462275140 1182932868 /nfs/dbraw/zinc/93/28/68/1182932868.db2.gz PSGZYKVPBXKHIG-WMZOPIPTSA-N 2 2 304.478 3.038 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+](CCC(C)(C)C3CC3)CC2)c1 ZINC001473152892 1183721763 /nfs/dbraw/zinc/72/17/63/1183721763.db2.gz NIDTYTBFNWIBKK-UHFFFAOYSA-N 2 2 303.450 3.039 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001473343955 1183746376 /nfs/dbraw/zinc/74/63/76/1183746376.db2.gz XDUKYGRYMBPIDA-HOTGVXAUSA-N 2 2 305.372 3.254 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001473343955 1183746378 /nfs/dbraw/zinc/74/63/78/1183746378.db2.gz XDUKYGRYMBPIDA-HOTGVXAUSA-N 2 2 305.372 3.254 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCn2cc(Cl)cn2)CC1 ZINC001473716834 1183793036 /nfs/dbraw/zinc/79/30/36/1183793036.db2.gz MACMVXBAMQTHKL-KRWDZBQOSA-N 2 2 324.900 3.123 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCn2cc(Cl)cn2)CC1 ZINC001473716834 1183793041 /nfs/dbraw/zinc/79/30/41/1183793041.db2.gz MACMVXBAMQTHKL-KRWDZBQOSA-N 2 2 324.900 3.123 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCOCC34CCCC4)cc2)c[nH+]1 ZINC001473893420 1183820479 /nfs/dbraw/zinc/82/04/79/1183820479.db2.gz PGANOSODTRSTKE-GOSISDBHSA-N 2 2 311.429 3.311 20 0 DGADLP COC/C(C)=C\C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898191 1183822304 /nfs/dbraw/zinc/82/23/04/1183822304.db2.gz UTKZRJCQIYHINK-YMDFIQGPSA-N 2 2 305.466 3.410 20 0 DGADLP COC/C(C)=C\C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473898191 1183822309 /nfs/dbraw/zinc/82/23/09/1183822309.db2.gz UTKZRJCQIYHINK-YMDFIQGPSA-N 2 2 305.466 3.410 20 0 DGADLP CC[NH+](CC)CCC[NH2+]Cc1cc2ccccc2nc1OC ZINC001473912370 1183825597 /nfs/dbraw/zinc/82/55/97/1183825597.db2.gz MDWMRJWUGYVNKB-UHFFFAOYSA-N 2 2 301.434 3.065 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001473909138 1183826174 /nfs/dbraw/zinc/82/61/74/1183826174.db2.gz JYPHCSBUZFWNQP-FQEVSTJZSA-N 2 2 318.505 3.332 20 0 DGADLP CC(C)Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001473909138 1183826180 /nfs/dbraw/zinc/82/61/80/1183826180.db2.gz JYPHCSBUZFWNQP-FQEVSTJZSA-N 2 2 318.505 3.332 20 0 DGADLP COCc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001473935173 1183833702 /nfs/dbraw/zinc/83/37/02/1183833702.db2.gz SWRFECWFAPSGAN-UHFFFAOYSA-N 2 2 313.426 3.370 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnsc2)cc1F ZINC001473955054 1183837362 /nfs/dbraw/zinc/83/73/62/1183837362.db2.gz NYHAQJHBSNWYEE-UHFFFAOYSA-N 2 2 302.378 3.066 20 0 DGADLP CCc1ccccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001474076353 1183862774 /nfs/dbraw/zinc/86/27/74/1183862774.db2.gz HOUBJRTUGYWGKX-IBGZPJMESA-N 2 2 324.472 3.396 20 0 DGADLP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(Br)cc1F ZINC001474223657 1183885700 /nfs/dbraw/zinc/88/57/00/1183885700.db2.gz QNYOEOMXMHJQPL-LLVKDONJSA-N 2 2 317.246 3.326 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)C1 ZINC001474650049 1183955686 /nfs/dbraw/zinc/95/56/86/1183955686.db2.gz KYQBDALHRGSOSR-HNNXBMFYSA-N 2 2 303.425 3.232 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(F)c(C)cc23)C1 ZINC001474650049 1183955687 /nfs/dbraw/zinc/95/56/87/1183955687.db2.gz KYQBDALHRGSOSR-HNNXBMFYSA-N 2 2 303.425 3.232 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480653364 1184567780 /nfs/dbraw/zinc/56/77/80/1184567780.db2.gz BAIMDQCMAFIOGK-DYVFJYSZSA-N 2 2 317.477 3.105 20 0 DGADLP C[C@H](Nc1nc2ccccc2n2c[nH+]cc12)C(C)(C)C[NH+](C)C ZINC001611997213 1193444731 /nfs/dbraw/zinc/44/47/31/1193444731.db2.gz GGEDSHAQDMURHE-ZDUSSCGKSA-N 2 2 311.433 3.271 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC001548851996 1188467503 /nfs/dbraw/zinc/46/75/03/1188467503.db2.gz ZCLBQGLLJKSWBE-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001548851996 1188467507 /nfs/dbraw/zinc/46/75/07/1188467507.db2.gz ZCLBQGLLJKSWBE-OAHLLOKOSA-N 2 2 303.837 3.496 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC001549087694 1188493540 /nfs/dbraw/zinc/49/35/40/1188493540.db2.gz XQOGBVVQUFHCBS-WBMJQRKESA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1csc(-c3cccs3)n1)C2 ZINC001549087694 1188493542 /nfs/dbraw/zinc/49/35/42/1188493542.db2.gz XQOGBVVQUFHCBS-WBMJQRKESA-N 2 2 319.499 3.432 20 0 DGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)c(C)n1 ZINC001549337795 1188513598 /nfs/dbraw/zinc/51/35/98/1188513598.db2.gz SXQIOCKPQMCXHA-FFZOFVMBSA-N 2 2 309.457 3.495 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)s1 ZINC001549374645 1188515844 /nfs/dbraw/zinc/51/58/44/1188515844.db2.gz XTSQCEOOAQBRBP-ZVCZJPQMSA-N 2 2 305.491 3.073 20 0 DGADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)s1 ZINC001549374645 1188515847 /nfs/dbraw/zinc/51/58/47/1188515847.db2.gz XTSQCEOOAQBRBP-ZVCZJPQMSA-N 2 2 305.491 3.073 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001550058637 1188576485 /nfs/dbraw/zinc/57/64/85/1188576485.db2.gz NHQXGRBQAYTJOF-VQIMIIECSA-N 2 2 309.457 3.405 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001550058637 1188576486 /nfs/dbraw/zinc/57/64/86/1188576486.db2.gz NHQXGRBQAYTJOF-VQIMIIECSA-N 2 2 309.457 3.405 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)nc1Cl ZINC001550130418 1188584127 /nfs/dbraw/zinc/58/41/27/1188584127.db2.gz OSISYQCPZYFESO-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)nc1Cl ZINC001550130418 1188584131 /nfs/dbraw/zinc/58/41/31/1188584131.db2.gz OSISYQCPZYFESO-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001550130395 1188584583 /nfs/dbraw/zinc/58/45/83/1188584583.db2.gz NIVAETMKYUEJTQ-LLVKDONJSA-N 2 2 313.323 3.412 20 0 DGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001550130395 1188584585 /nfs/dbraw/zinc/58/45/85/1188584585.db2.gz NIVAETMKYUEJTQ-LLVKDONJSA-N 2 2 313.323 3.412 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2)[nH+]c1C ZINC001550218831 1188595135 /nfs/dbraw/zinc/59/51/35/1188595135.db2.gz PJQNVMXOFUTBKL-OAHLLOKOSA-N 2 2 312.417 3.164 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1Cl ZINC001551404304 1188738794 /nfs/dbraw/zinc/73/87/94/1188738794.db2.gz WLXIJXQPWVNTGJ-WBVHZDCISA-N 2 2 302.805 3.063 20 0 DGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001553024045 1188890294 /nfs/dbraw/zinc/89/02/94/1188890294.db2.gz AUNHJEWYHYYOPE-JFOHDYCDSA-N 2 2 304.409 3.016 20 0 DGADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001553864760 1188952298 /nfs/dbraw/zinc/95/22/98/1188952298.db2.gz XXXXDIACHQFWCV-OAHLLOKOSA-N 2 2 321.428 3.051 20 0 DGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001553864760 1188952300 /nfs/dbraw/zinc/95/23/00/1188952300.db2.gz XXXXDIACHQFWCV-OAHLLOKOSA-N 2 2 321.428 3.051 20 0 DGADLP CCC(CC)[C@H](CNc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC001559062286 1189167051 /nfs/dbraw/zinc/16/70/51/1189167051.db2.gz RKGQXHIRVDTXLV-KRWDZBQOSA-N 2 2 304.482 3.442 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC001559121212 1189172757 /nfs/dbraw/zinc/17/27/57/1189172757.db2.gz MUUQJCBCFITKQO-KGLIPLIRSA-N 2 2 309.417 3.167 20 0 DGADLP c1ccc(SCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001560140435 1189283327 /nfs/dbraw/zinc/28/33/27/1189283327.db2.gz TXELOLUVOIBHDT-UHFFFAOYSA-N 2 2 320.502 3.012 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c(n1)CCCC2 ZINC001560518804 1189335945 /nfs/dbraw/zinc/33/59/45/1189335945.db2.gz JDHOEXWXIQANCI-PMACEKPBSA-N 2 2 313.489 3.375 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c2c(n1)CCCC2 ZINC001560518804 1189335948 /nfs/dbraw/zinc/33/59/48/1189335948.db2.gz JDHOEXWXIQANCI-PMACEKPBSA-N 2 2 313.489 3.375 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)C[NH+](C)C ZINC001560585983 1189344844 /nfs/dbraw/zinc/34/48/44/1189344844.db2.gz WESJKHAFRGLTIT-HXUWFJFHSA-N 2 2 312.457 3.410 20 0 DGADLP C[N@@H+](Cc1ccccc1OCC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC001560653564 1189354959 /nfs/dbraw/zinc/35/49/59/1189354959.db2.gz WKPCKWCZJLKJKY-CQSZACIVSA-N 2 2 312.404 3.104 20 0 DGADLP C[N@H+](Cc1ccccc1OCC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC001560653564 1189354963 /nfs/dbraw/zinc/35/49/63/1189354963.db2.gz WKPCKWCZJLKJKY-CQSZACIVSA-N 2 2 312.404 3.104 20 0 DGADLP C[NH+](Cc1ccccc1OCC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC001560653564 1189354969 /nfs/dbraw/zinc/35/49/69/1189354969.db2.gz WKPCKWCZJLKJKY-CQSZACIVSA-N 2 2 312.404 3.104 20 0 DGADLP C[NH+](Cc1ccccc1OCC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001560653564 1189354972 /nfs/dbraw/zinc/35/49/72/1189354972.db2.gz WKPCKWCZJLKJKY-CQSZACIVSA-N 2 2 312.404 3.104 20 0 DGADLP C[N@@H+](Cc1ccc(OC(F)F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC001560652464 1189355089 /nfs/dbraw/zinc/35/50/89/1189355089.db2.gz AJCYTSDTGWYQSS-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@H+](Cc1ccc(OC(F)F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC001560652464 1189355093 /nfs/dbraw/zinc/35/50/93/1189355093.db2.gz AJCYTSDTGWYQSS-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1ccc(OC(F)F)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC001560652464 1189355097 /nfs/dbraw/zinc/35/50/97/1189355097.db2.gz AJCYTSDTGWYQSS-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1ccc(OC(F)F)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC001560652464 1189355101 /nfs/dbraw/zinc/35/51/01/1189355101.db2.gz AJCYTSDTGWYQSS-LBPRGKRZSA-N 2 2 316.367 3.201 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C[N@H+](Cc2ccccc2)C1 ZINC001560704741 1189363144 /nfs/dbraw/zinc/36/31/44/1189363144.db2.gz RGPANUGMTWXDAG-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C[N@@H+](Cc2ccccc2)C1 ZINC001560704741 1189363148 /nfs/dbraw/zinc/36/31/48/1189363148.db2.gz RGPANUGMTWXDAG-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945562 1189408831 /nfs/dbraw/zinc/40/88/31/1189408831.db2.gz DENZTPSBXJZNHV-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC001560945562 1189408833 /nfs/dbraw/zinc/40/88/33/1189408833.db2.gz DENZTPSBXJZNHV-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001560945562 1189408835 /nfs/dbraw/zinc/40/88/35/1189408835.db2.gz DENZTPSBXJZNHV-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001560945562 1189408837 /nfs/dbraw/zinc/40/88/37/1189408837.db2.gz DENZTPSBXJZNHV-RLLQIKCJSA-N 2 2 315.505 3.113 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)ccc1-n1cc[nH+]c1 ZINC001565582214 1189657087 /nfs/dbraw/zinc/65/70/87/1189657087.db2.gz MGHLZQRNOPRYMD-FUHWJXTLSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)ccc1-n1cc[nH+]c1 ZINC001565582214 1189657092 /nfs/dbraw/zinc/65/70/92/1189657092.db2.gz MGHLZQRNOPRYMD-FUHWJXTLSA-N 2 2 324.428 3.136 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CCC2CC2)C(C)C)c(C)[nH+]1 ZINC001568457938 1190527747 /nfs/dbraw/zinc/52/77/47/1190527747.db2.gz UILICQWZFXWZMI-QGZVFWFLSA-N 2 2 317.477 3.151 20 0 DGADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCC([NH3+])CC1 ZINC001573468239 1191433944 /nfs/dbraw/zinc/43/39/44/1191433944.db2.gz HDNKAMFGWMJWHL-UHFFFAOYSA-N 2 2 311.451 3.018 20 0 DGADLP C=C/C=C\CC[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC001574889161 1191455797 /nfs/dbraw/zinc/45/57/97/1191455797.db2.gz OINAEKDHWNUXFK-DSQZMVHQSA-N 2 2 300.446 3.253 20 0 DGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001575461905 1191484408 /nfs/dbraw/zinc/48/44/08/1191484408.db2.gz YPSMTIWMVAWGJA-MRXNPFEDSA-N 2 2 303.381 3.086 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cccc(F)n2)CC1 ZINC001620498496 1193772815 /nfs/dbraw/zinc/77/28/15/1193772815.db2.gz OHFNSPXGOVYNCD-KRWDZBQOSA-N 2 2 305.441 3.307 20 0 DGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cccc(F)n2)CC1 ZINC001620498496 1193772817 /nfs/dbraw/zinc/77/28/17/1193772817.db2.gz OHFNSPXGOVYNCD-KRWDZBQOSA-N 2 2 305.441 3.307 20 0 DGADLP Cc1nnsc1[C@@H](C)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001620498079 1193772960 /nfs/dbraw/zinc/77/29/60/1193772960.db2.gz FNECXJBDHJDLTR-CVEARBPZSA-N 2 2 322.522 3.494 20 0 DGADLP Cc1nnsc1[C@@H](C)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001620498079 1193772961 /nfs/dbraw/zinc/77/29/61/1193772961.db2.gz FNECXJBDHJDLTR-CVEARBPZSA-N 2 2 322.522 3.494 20 0 DGADLP Cc1nnsc1[C@@H](C)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001620498081 1193773143 /nfs/dbraw/zinc/77/31/43/1193773143.db2.gz FNECXJBDHJDLTR-HZPDHXFCSA-N 2 2 322.522 3.494 20 0 DGADLP Cc1nnsc1[C@@H](C)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001620498081 1193773146 /nfs/dbraw/zinc/77/31/46/1193773146.db2.gz FNECXJBDHJDLTR-HZPDHXFCSA-N 2 2 322.522 3.494 20 0 DGADLP C[C@@H](O)C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001620628230 1193784886 /nfs/dbraw/zinc/78/48/86/1193784886.db2.gz HRWHQCGKDGHJBO-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP C[C@@H](O)C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001620628230 1193784889 /nfs/dbraw/zinc/78/48/89/1193784889.db2.gz HRWHQCGKDGHJBO-JRGCBEDISA-N 2 2 324.468 3.015 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC001620696121 1193792429 /nfs/dbraw/zinc/79/24/29/1193792429.db2.gz IEKVYEJKUTXODO-UHFFFAOYSA-N 2 2 322.346 3.402 20 0 DGADLP c1cn(-c2ccccc2C[NH2+]Cc2cccc3c[nH]nc32)c[nH+]1 ZINC001620747280 1193797298 /nfs/dbraw/zinc/79/72/98/1193797298.db2.gz BDPXFZFADRXULH-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001621474816 1193846939 /nfs/dbraw/zinc/84/69/39/1193846939.db2.gz JEXINESHLSRFIU-AEFFLSMTSA-N 2 2 318.505 3.178 20 0 DGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001621474816 1193846943 /nfs/dbraw/zinc/84/69/43/1193846943.db2.gz JEXINESHLSRFIU-AEFFLSMTSA-N 2 2 318.505 3.178 20 0 DGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC001621513547 1193851739 /nfs/dbraw/zinc/85/17/39/1193851739.db2.gz PQIRYBHSSRVEGC-UHFFFAOYSA-N 2 2 314.473 3.462 20 0 DGADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)sn1 ZINC001643031483 1194962249 /nfs/dbraw/zinc/96/22/49/1194962249.db2.gz XGXXOVBZMUYENW-UHFFFAOYSA-N 2 2 324.453 3.322 20 0 DGADLP CC[C@H](C)[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800109 1195055402 /nfs/dbraw/zinc/05/54/02/1195055402.db2.gz ZRTHIDHDAKSGDH-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@H](C)[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800109 1195055407 /nfs/dbraw/zinc/05/54/07/1195055407.db2.gz ZRTHIDHDAKSGDH-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@H](C)[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001643800109 1195055410 /nfs/dbraw/zinc/05/54/10/1195055410.db2.gz ZRTHIDHDAKSGDH-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@H](C)[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001643800109 1195055411 /nfs/dbraw/zinc/05/54/11/1195055411.db2.gz ZRTHIDHDAKSGDH-HKUYNNGSSA-N 2 2 304.478 3.398 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1F ZINC001648369091 1195295133 /nfs/dbraw/zinc/29/51/33/1195295133.db2.gz DKQSFFMABJJXDN-CQSZACIVSA-N 2 2 317.383 3.379 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1F ZINC001648369091 1195295136 /nfs/dbraw/zinc/29/51/36/1195295136.db2.gz DKQSFFMABJJXDN-CQSZACIVSA-N 2 2 317.383 3.379 20 0 DGADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647757 1195317854 /nfs/dbraw/zinc/31/78/54/1195317854.db2.gz RESYFRUXASCSON-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647757 1195317858 /nfs/dbraw/zinc/31/78/58/1195317858.db2.gz RESYFRUXASCSON-OAHLLOKOSA-N 2 2 315.465 3.060 20 0 DGADLP CN(C)c1cc[nH+]cc1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001648709540 1195324627 /nfs/dbraw/zinc/32/46/27/1195324627.db2.gz GFSALNPEHHRKQU-FQEVSTJZSA-N 2 2 324.472 3.074 20 0 DGADLP CCc1cc(NCc2ccc(CC[NH+](C)C)cc2)nc(CC)[nH+]1 ZINC001650973328 1195399960 /nfs/dbraw/zinc/39/99/60/1195399960.db2.gz RBZJPBXWBHIZFF-UHFFFAOYSA-N 2 2 312.461 3.318 20 0 DGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001650975497 1195400695 /nfs/dbraw/zinc/40/06/95/1195400695.db2.gz BQCZEZGDCJKQTO-GFCCVEGCSA-N 2 2 314.414 3.013 20 0 DGADLP Cc1nc(NCC(C)(C)C[NH+]2CCCC2)c2c([nH+]1)CCCC2 ZINC001651812165 1195512031 /nfs/dbraw/zinc/51/20/31/1195512031.db2.gz SUVNLOMQVWWFBO-UHFFFAOYSA-N 2 2 302.466 3.198 20 0 DGADLP Cc1cc(N(CC[NH+](C)C)C2CCCC2)nc(C2CCC2)[nH+]1 ZINC001651845076 1195515778 /nfs/dbraw/zinc/51/57/78/1195515778.db2.gz ULVAVDLEYOWOMA-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP CC(C)n1cc2c(n1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC001652117466 1195550427 /nfs/dbraw/zinc/55/04/27/1195550427.db2.gz ZGNRLXCMHQXKMM-SFHVURJKSA-N 2 2 316.493 3.305 20 0 DGADLP CCc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)cc(C)[nH+]1 ZINC001652317705 1195581289 /nfs/dbraw/zinc/58/12/89/1195581289.db2.gz CXWIEQAYHWMCAQ-HOTGVXAUSA-N 2 2 302.466 3.047 20 0 DGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC001652361986 1195588343 /nfs/dbraw/zinc/58/83/43/1195588343.db2.gz UBSLBTWZTWDFMS-NLWGTHIKSA-N 2 2 317.521 3.217 20 0 DGADLP COc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc(OC)c1 ZINC000067250393 1195612900 /nfs/dbraw/zinc/61/29/00/1195612900.db2.gz FFECKQZVJXIENN-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP CC(C)CC1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001652676677 1195635508 /nfs/dbraw/zinc/63/55/08/1195635508.db2.gz LEVBNJSFOZTCMB-HXUWFJFHSA-N 2 2 318.505 3.237 20 0 DGADLP CC(C)CC1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001652676677 1195635513 /nfs/dbraw/zinc/63/55/13/1195635513.db2.gz LEVBNJSFOZTCMB-HXUWFJFHSA-N 2 2 318.505 3.237 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585007 1195735995 /nfs/dbraw/zinc/73/59/95/1195735995.db2.gz PZDHNMHZXGDYLY-PKOBYXMFSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001653585007 1195735999 /nfs/dbraw/zinc/73/59/99/1195735999.db2.gz PZDHNMHZXGDYLY-PKOBYXMFSA-N 2 2 308.510 3.390 20 0 DGADLP CC[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218644 1195785427 /nfs/dbraw/zinc/78/54/27/1195785427.db2.gz ODRKFLLIVMMGLE-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218644 1195785431 /nfs/dbraw/zinc/78/54/31/1195785431.db2.gz ODRKFLLIVMMGLE-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218644 1195785434 /nfs/dbraw/zinc/78/54/34/1195785434.db2.gz ODRKFLLIVMMGLE-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP CC[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1C ZINC001654218644 1195785436 /nfs/dbraw/zinc/78/54/36/1195785436.db2.gz ODRKFLLIVMMGLE-MISYRCLQSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCSc3ccccc3Cl)C[C@H]21 ZINC001654414552 1195800803 /nfs/dbraw/zinc/80/08/03/1195800803.db2.gz FHZCRVOGNWAEGM-VIKVFOODSA-N 2 2 310.894 3.314 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCSc3ccccc3Cl)C[C@H]21 ZINC001654414552 1195800807 /nfs/dbraw/zinc/80/08/07/1195800807.db2.gz FHZCRVOGNWAEGM-VIKVFOODSA-N 2 2 310.894 3.314 20 0 DGADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001654512144 1195811525 /nfs/dbraw/zinc/81/15/25/1195811525.db2.gz IMZIPTJWGQLWMJ-DLBZAZTESA-N 2 2 302.466 3.124 20 0 DGADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001654512144 1195811527 /nfs/dbraw/zinc/81/15/27/1195811527.db2.gz IMZIPTJWGQLWMJ-DLBZAZTESA-N 2 2 302.466 3.124 20 0 DGADLP CCNc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC001654809750 1195843465 /nfs/dbraw/zinc/84/34/65/1195843465.db2.gz CACQCNKVLCICIX-UHFFFAOYSA-N 2 2 319.478 3.294 20 0 DGADLP Cn1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001655068327 1195871720 /nfs/dbraw/zinc/87/17/20/1195871720.db2.gz AHGVWYASKFPUOJ-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP Cn1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001655068327 1195871725 /nfs/dbraw/zinc/87/17/25/1195871725.db2.gz AHGVWYASKFPUOJ-UHFFFAOYSA-N 2 2 312.461 3.038 20 0 DGADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130506 1195879495 /nfs/dbraw/zinc/87/94/95/1195879495.db2.gz IXNXERFCKQCFCD-XHSDSOJGSA-N 2 2 305.466 3.243 20 0 DGADLP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655130506 1195879501 /nfs/dbraw/zinc/87/95/01/1195879501.db2.gz IXNXERFCKQCFCD-XHSDSOJGSA-N 2 2 305.466 3.243 20 0 DGADLP CCc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)cc(C)[nH+]1 ZINC001655359472 1195907631 /nfs/dbraw/zinc/90/76/31/1195907631.db2.gz FNALBHLOCNVWOA-SFHVURJKSA-N 2 2 324.472 3.448 20 0 DGADLP CCc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)cc(C)[nH+]1 ZINC001655359472 1195907634 /nfs/dbraw/zinc/90/76/34/1195907634.db2.gz FNALBHLOCNVWOA-SFHVURJKSA-N 2 2 324.472 3.448 20 0 DGADLP COc1cccc2c1CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C2 ZINC001655396895 1195912348 /nfs/dbraw/zinc/91/23/48/1195912348.db2.gz JKXIYEHQHIUULT-QGZVFWFLSA-N 2 2 313.445 3.209 20 0 DGADLP CCCCOc1ncccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001655430062 1195916333 /nfs/dbraw/zinc/91/63/33/1195916333.db2.gz UBHJPHBHDCJGHE-UHFFFAOYSA-N 2 2 314.433 3.011 20 0 DGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC001655454890 1195920525 /nfs/dbraw/zinc/92/05/25/1195920525.db2.gz XZQHOPKBVOAGKW-SJORKVTESA-N 2 2 317.477 3.114 20 0 DGADLP CCC[C@@H](CC)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001655566452 1195932941 /nfs/dbraw/zinc/93/29/41/1195932941.db2.gz ZUNXWTDIJWCQJG-GOSISDBHSA-N 2 2 320.477 3.066 20 0 DGADLP Cc1nnsc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910592 1195976413 /nfs/dbraw/zinc/97/64/13/1195976413.db2.gz ORBSPNRQEWOFSO-ZDUSSCGKSA-N 2 2 319.478 3.178 20 0 DGADLP Cc1nnsc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910592 1195976415 /nfs/dbraw/zinc/97/64/15/1195976415.db2.gz ORBSPNRQEWOFSO-ZDUSSCGKSA-N 2 2 319.478 3.178 20 0 DGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001656155049 1196011539 /nfs/dbraw/zinc/01/15/39/1196011539.db2.gz HMOJHINKWXICIW-QGZVFWFLSA-N 2 2 323.444 3.478 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001656645699 1196057577 /nfs/dbraw/zinc/05/75/77/1196057577.db2.gz YDMXYXNYMXCAIW-HUUCEWRRSA-N 2 2 300.450 3.190 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001656645699 1196057579 /nfs/dbraw/zinc/05/75/79/1196057579.db2.gz YDMXYXNYMXCAIW-HUUCEWRRSA-N 2 2 300.450 3.190 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC001656743472 1196067050 /nfs/dbraw/zinc/06/70/50/1196067050.db2.gz PHHPEBARCMICKU-AWEZNQCLSA-N 2 2 312.442 3.493 20 0 DGADLP CC(C)c1nc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c2ccccn21 ZINC001657100890 1196105858 /nfs/dbraw/zinc/10/58/58/1196105858.db2.gz HMLSMJLHLQEMCM-HNNXBMFYSA-N 2 2 311.433 3.080 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC001657266152 1196125357 /nfs/dbraw/zinc/12/53/57/1196125357.db2.gz DQOAXELRXDIRDF-UHFFFAOYSA-N 2 2 311.429 3.226 20 0 DGADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001657286292 1196127574 /nfs/dbraw/zinc/12/75/74/1196127574.db2.gz NZWUVQFSFDHQRL-RTBURBONSA-N 2 2 316.489 3.023 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC001657321852 1196129927 /nfs/dbraw/zinc/12/99/27/1196129927.db2.gz ACQWDXXTWSQBJZ-JKSUJKDBSA-N 2 2 319.468 3.388 20 0 DGADLP CCC[C@@H](C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC001657404873 1196138350 /nfs/dbraw/zinc/13/83/50/1196138350.db2.gz DFRQBQSWERJMAU-SFHVURJKSA-N 2 2 319.493 3.435 20 0 DGADLP CCC[C@@H](C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OC ZINC001657404873 1196138353 /nfs/dbraw/zinc/13/83/53/1196138353.db2.gz DFRQBQSWERJMAU-SFHVURJKSA-N 2 2 319.493 3.435 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCCOC(F)F)C[N@@H+]1Cc1ccccc1 ZINC001657894570 1196191471 /nfs/dbraw/zinc/19/14/71/1196191471.db2.gz XOQLMOHNTRWMMZ-HOCLYGCPSA-N 2 2 312.404 3.258 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CCCOC(F)F)C[N@H+]1Cc1ccccc1 ZINC001657894570 1196191473 /nfs/dbraw/zinc/19/14/73/1196191473.db2.gz XOQLMOHNTRWMMZ-HOCLYGCPSA-N 2 2 312.404 3.258 20 0 DGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001658012681 1196201082 /nfs/dbraw/zinc/20/10/82/1196201082.db2.gz UKOOLYGLZIPUNE-FQEVSTJZSA-N 2 2 316.489 3.281 20 0 DGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001658012681 1196201086 /nfs/dbraw/zinc/20/10/86/1196201086.db2.gz UKOOLYGLZIPUNE-FQEVSTJZSA-N 2 2 316.489 3.281 20 0 DGADLP Cn1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001658018414 1196203110 /nfs/dbraw/zinc/20/31/10/1196203110.db2.gz HBPUFGFUPCSSTG-UHFFFAOYSA-N 2 2 300.793 3.154 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1 ZINC001658166257 1196220677 /nfs/dbraw/zinc/22/06/77/1196220677.db2.gz KPXKRGZTXPKOLK-GOSISDBHSA-N 2 2 313.445 3.350 20 0 DGADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1COc2ccccc2C1 ZINC001658550646 1196273584 /nfs/dbraw/zinc/27/35/84/1196273584.db2.gz VHNXXOQTGVRNTL-YQVWRLOYSA-N 2 2 316.489 3.336 20 0 DGADLP Cc1[nH]c(CN(CC[NH+]2CCCCCC2)C2CCC2)[nH+]c1C ZINC001658846446 1196308514 /nfs/dbraw/zinc/30/85/14/1196308514.db2.gz WNELJEKPKPRWPN-UHFFFAOYSA-N 2 2 304.482 3.257 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659267727 1196365789 /nfs/dbraw/zinc/36/57/89/1196365789.db2.gz ZMXMQZSTRUDUCK-ZIFCJYIRSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@H](CCCCO)[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659267727 1196365793 /nfs/dbraw/zinc/36/57/93/1196365793.db2.gz ZMXMQZSTRUDUCK-ZIFCJYIRSA-N 2 2 304.478 3.180 20 0 DGADLP COc1ccc(C(C)(C)C[NH2+]CC2([NH+](C)C)CCC2)cc1OC ZINC001659491163 1196389037 /nfs/dbraw/zinc/38/90/37/1196389037.db2.gz SXYMJBJEBLQKHU-UHFFFAOYSA-N 2 2 320.477 3.055 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001659785628 1196413852 /nfs/dbraw/zinc/41/38/52/1196413852.db2.gz SICSDSZMGBNFNX-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cn1 ZINC001659785628 1196413855 /nfs/dbraw/zinc/41/38/55/1196413855.db2.gz SICSDSZMGBNFNX-GOSISDBHSA-N 2 2 317.477 3.177 20 0 DGADLP Nc1cc[nH+]c2c1C[N@H+](CCSc1cccc(Cl)c1)CC2 ZINC001659861349 1196423173 /nfs/dbraw/zinc/42/31/73/1196423173.db2.gz QTHBIYQDFSIBSS-UHFFFAOYSA-N 2 2 319.861 3.468 20 0 DGADLP Nc1cc[nH+]c2c1C[N@@H+](CCSc1cccc(Cl)c1)CC2 ZINC001659861349 1196423174 /nfs/dbraw/zinc/42/31/74/1196423174.db2.gz QTHBIYQDFSIBSS-UHFFFAOYSA-N 2 2 319.861 3.468 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC001660007736 1196436839 /nfs/dbraw/zinc/43/68/39/1196436839.db2.gz UYGZVTPCGAATBV-YTQUADARSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC001660007736 1196436843 /nfs/dbraw/zinc/43/68/43/1196436843.db2.gz UYGZVTPCGAATBV-YTQUADARSA-N 2 2 302.462 3.198 20 0 DGADLP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cs1 ZINC001660370454 1196476278 /nfs/dbraw/zinc/47/62/78/1196476278.db2.gz RJZDLFOKDCNBGM-ZFWWWQNUSA-N 2 2 324.490 3.087 20 0 DGADLP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cs1 ZINC001660370454 1196476280 /nfs/dbraw/zinc/47/62/80/1196476280.db2.gz RJZDLFOKDCNBGM-ZFWWWQNUSA-N 2 2 324.490 3.087 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001660678481 1196511203 /nfs/dbraw/zinc/51/12/03/1196511203.db2.gz ZEZOLECMMXYRAX-HZPDHXFCSA-N 2 2 305.466 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001660678481 1196511204 /nfs/dbraw/zinc/51/12/04/1196511204.db2.gz ZEZOLECMMXYRAX-HZPDHXFCSA-N 2 2 305.466 3.244 20 0 DGADLP COc1cncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001662132651 1196685229 /nfs/dbraw/zinc/68/52/29/1196685229.db2.gz LHGQEODFIUCJKM-OAHLLOKOSA-N 2 2 322.412 3.435 20 0 DGADLP C[C@H](CC[NH2+]Cc1cn2cc(Cl)ccc2n1)[NH+]1CCCCC1 ZINC001662194206 1196692779 /nfs/dbraw/zinc/69/27/79/1196692779.db2.gz QEAGSILJJHEEDO-CQSZACIVSA-N 2 2 320.868 3.342 20 0 DGADLP Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC001662540047 1196728600 /nfs/dbraw/zinc/72/86/00/1196728600.db2.gz IJNASLXMUVRJAA-SNVBAGLBSA-N 2 2 317.246 3.184 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C2 ZINC001663441835 1196868581 /nfs/dbraw/zinc/86/85/81/1196868581.db2.gz GEODZSKEPGTPSF-KRWDZBQOSA-N 2 2 316.489 3.264 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C2 ZINC001663441835 1196868587 /nfs/dbraw/zinc/86/85/87/1196868587.db2.gz GEODZSKEPGTPSF-KRWDZBQOSA-N 2 2 316.489 3.264 20 0 DGADLP CCc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000080139243 1197030454 /nfs/dbraw/zinc/03/04/54/1197030454.db2.gz SWIXGIUAKCFYDH-UHFFFAOYSA-N 2 2 315.486 3.460 20 0 DGADLP CCN(CC[NH2+]CCCC(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001668469890 1197416112 /nfs/dbraw/zinc/41/61/12/1197416112.db2.gz XYWOSUNJSSGGNP-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832337 1197488938 /nfs/dbraw/zinc/48/89/38/1197488938.db2.gz FDLQJPWWOOSSDW-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832337 1197488942 /nfs/dbraw/zinc/48/89/42/1197488942.db2.gz FDLQJPWWOOSSDW-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832338 1197489053 /nfs/dbraw/zinc/48/90/53/1197489053.db2.gz FDLQJPWWOOSSDW-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669832338 1197489057 /nfs/dbraw/zinc/48/90/57/1197489057.db2.gz FDLQJPWWOOSSDW-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c(C)[nH+]1 ZINC001672021636 1197590438 /nfs/dbraw/zinc/59/04/38/1197590438.db2.gz YNYQVOMJMUZJIF-CABCVRRESA-N 2 2 304.438 3.001 20 0 DGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(C)c2)C1 ZINC000389232863 1197710787 /nfs/dbraw/zinc/71/07/87/1197710787.db2.gz IYCDUWXVQWICTF-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(C)c2)C1 ZINC000389232863 1197710790 /nfs/dbraw/zinc/71/07/90/1197710790.db2.gz IYCDUWXVQWICTF-CQSZACIVSA-N 2 2 311.267 3.331 20 0 DGADLP CCc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000389878893 1197711740 /nfs/dbraw/zinc/71/17/40/1197711740.db2.gz XCYZHBDHMADDRY-KBXCAEBGSA-N 2 2 310.445 3.280 20 0 DGADLP CCc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000389878893 1197711742 /nfs/dbraw/zinc/71/17/42/1197711742.db2.gz XCYZHBDHMADDRY-KBXCAEBGSA-N 2 2 310.445 3.280 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000390353985 1197712546 /nfs/dbraw/zinc/71/25/46/1197712546.db2.gz DETUKBGAWZAPMC-MJGOQNOKSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000390353985 1197712550 /nfs/dbraw/zinc/71/25/50/1197712550.db2.gz DETUKBGAWZAPMC-MJGOQNOKSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091059849 1198339205 /nfs/dbraw/zinc/33/92/05/1198339205.db2.gz USWTWDJTOFZKHE-KRWDZBQOSA-N 2 2 312.461 3.082 20 0 DGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091059849 1198339211 /nfs/dbraw/zinc/33/92/11/1198339211.db2.gz USWTWDJTOFZKHE-KRWDZBQOSA-N 2 2 312.461 3.082 20 0 DGADLP CCc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000304301909 1199645436 /nfs/dbraw/zinc/64/54/36/1199645436.db2.gz ISZYOUNQLFYAHD-KRWDZBQOSA-N 2 2 310.445 3.424 20 0 DGADLP CCc1nc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000304301909 1199645439 /nfs/dbraw/zinc/64/54/39/1199645439.db2.gz ISZYOUNQLFYAHD-KRWDZBQOSA-N 2 2 310.445 3.424 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309701270 1199708589 /nfs/dbraw/zinc/70/85/89/1199708589.db2.gz GDAKKTOQTRDDMS-GOSISDBHSA-N 2 2 313.445 3.293 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309701270 1199708595 /nfs/dbraw/zinc/70/85/95/1199708595.db2.gz GDAKKTOQTRDDMS-GOSISDBHSA-N 2 2 313.445 3.293 20 0 DGADLP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001688939196 1199965351 /nfs/dbraw/zinc/96/53/51/1199965351.db2.gz GTKKRZQMQSWIFI-QAQDUYKDSA-N 2 2 315.461 3.071 20 0 DGADLP CCOc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000121179106 1200197393 /nfs/dbraw/zinc/19/73/93/1200197393.db2.gz XCVSYBWHSDWNIZ-UHFFFAOYSA-N 2 2 322.412 3.264 20 0 DGADLP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000126602628 1200581809 /nfs/dbraw/zinc/58/18/09/1200581809.db2.gz RLVNHUKHFXVRSO-MDZRGWNJSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000126602628 1200581815 /nfs/dbraw/zinc/58/18/15/1200581815.db2.gz RLVNHUKHFXVRSO-MDZRGWNJSA-N 2 2 302.462 3.197 20 0 DGADLP Brc1ccc(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000211496727 1201153754 /nfs/dbraw/zinc/15/37/54/1201153754.db2.gz HVDAFQPTGBEMIS-MRXNPFEDSA-N 2 2 323.278 3.381 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cncs2)cc1F ZINC000135958029 1201207698 /nfs/dbraw/zinc/20/76/98/1201207698.db2.gz XQOKGVCHSFXQSR-UHFFFAOYSA-N 2 2 302.378 3.066 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000136296750 1201210720 /nfs/dbraw/zinc/21/07/20/1201210720.db2.gz BGSUDVNPJHFTOC-GOEBONIOSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000136296750 1201210728 /nfs/dbraw/zinc/21/07/28/1201210728.db2.gz BGSUDVNPJHFTOC-GOEBONIOSA-N 2 2 301.459 3.286 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001698992407 1201657180 /nfs/dbraw/zinc/65/71/80/1201657180.db2.gz SHXZJDVAEMHBFX-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)CC2CCCC2)c(C)[nH+]1 ZINC001698992407 1201657187 /nfs/dbraw/zinc/65/71/87/1201657187.db2.gz SHXZJDVAEMHBFX-UHFFFAOYSA-N 2 2 317.477 3.201 20 0 DGADLP CC(C)[NH2+][C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001700501547 1202297643 /nfs/dbraw/zinc/29/76/43/1202297643.db2.gz FDLOFUFVSLMDCA-OAHLLOKOSA-N 2 2 316.449 3.048 20 0 DGADLP C[C@@H](C[NH2+]Cc1ncccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000152210662 1202594015 /nfs/dbraw/zinc/59/40/15/1202594015.db2.gz FPCMCPVXMSLZIJ-ZDUSSCGKSA-N 2 2 315.383 3.312 20 0 DGADLP C[C@H](C[NH2+]Cc1ncccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000152210750 1202594044 /nfs/dbraw/zinc/59/40/44/1202594044.db2.gz FPCMCPVXMSLZIJ-CYBMUJFWSA-N 2 2 315.383 3.312 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000236811501 1202626037 /nfs/dbraw/zinc/62/60/37/1202626037.db2.gz VZHGMWRVSWZDQS-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000236811501 1202626038 /nfs/dbraw/zinc/62/60/38/1202626038.db2.gz VZHGMWRVSWZDQS-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N(C)c1ccccc1 ZINC000237412069 1202673390 /nfs/dbraw/zinc/67/33/90/1202673390.db2.gz YZJFIISLSQMCCY-KRWDZBQOSA-N 2 2 320.440 3.487 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001715938503 1203407123 /nfs/dbraw/zinc/40/71/23/1203407123.db2.gz OXLXZDCDORTSDH-CQSZACIVSA-N 2 2 317.477 3.151 20 0 DGADLP Cc1nn(C)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000162658992 1203469717 /nfs/dbraw/zinc/46/97/17/1203469717.db2.gz XAPYDEOUBYWIFH-INIZCTEOSA-N 2 2 312.461 3.044 20 0 DGADLP Cc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[nH+]c2ccccc12 ZINC000247849593 1203783573 /nfs/dbraw/zinc/78/35/73/1203783573.db2.gz ULVZKZJNXGTKDF-HZPDHXFCSA-N 2 2 313.445 3.454 20 0 DGADLP CC/C=C\CC[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732350972 1204800747 /nfs/dbraw/zinc/80/07/47/1204800747.db2.gz DMRPKNBWEGMVCJ-WBTMPAOCSA-N 2 2 317.477 3.319 20 0 DGADLP CC[NH+](CC)C1CCN(c2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC000077930454 722006467 /nfs/dbraw/zinc/00/64/67/722006467.db2.gz AADBTWFNXOHFAP-UHFFFAOYSA-N 2 2 304.482 3.393 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205266966 1083937028 /nfs/dbraw/zinc/93/70/28/1083937028.db2.gz YZGNFBGYKVSMCY-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(Br)c2)CC1 ZINC001205266966 1083937036 /nfs/dbraw/zinc/93/70/36/1083937036.db2.gz YZGNFBGYKVSMCY-CQSZACIVSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205273827 1091159942 /nfs/dbraw/zinc/15/99/42/1091159942.db2.gz PXIYBAKFVDZWMW-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(Br)c2)CC1 ZINC001205273827 1091159949 /nfs/dbraw/zinc/15/99/49/1091159949.db2.gz PXIYBAKFVDZWMW-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[NH+](C)CCC(C)(C)Nc1[nH+]cccc1CC(=O)OC(C)(C)C ZINC001169716968 1081638586 /nfs/dbraw/zinc/63/85/86/1081638586.db2.gz ZEXIBQFWDLVNGT-UHFFFAOYSA-N 2 2 321.465 3.108 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811631 1081698149 /nfs/dbraw/zinc/69/81/49/1081698149.db2.gz WIRQXAUCAMZTBF-QWRGUYRKSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811631 1081698152 /nfs/dbraw/zinc/69/81/52/1081698152.db2.gz WIRQXAUCAMZTBF-QWRGUYRKSA-N 2 2 317.296 3.378 20 0 DGADLP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC(C)(C)N1O ZINC001169984705 1081783195 /nfs/dbraw/zinc/78/31/95/1081783195.db2.gz QOMNZFZPJRPPEW-CQSZACIVSA-N 2 2 309.498 3.004 20 0 DGADLP CC1(C)CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC(C)(C)N1O ZINC001169984705 1081783201 /nfs/dbraw/zinc/78/32/01/1081783201.db2.gz QOMNZFZPJRPPEW-CQSZACIVSA-N 2 2 309.498 3.004 20 0 DGADLP Cc1cc([NH+]2CCCCC2)ccc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170025844 1081924429 /nfs/dbraw/zinc/92/44/29/1081924429.db2.gz GEQZIHSLVPATOC-UHFFFAOYSA-N 2 2 321.428 3.178 20 0 DGADLP Cc1noc(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC001648826926 1081935949 /nfs/dbraw/zinc/93/59/49/1081935949.db2.gz VXRMGUPZEDQDJM-UHFFFAOYSA-N 2 2 313.445 3.354 20 0 DGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1c[nH+]cn1C ZINC001211247828 1082098604 /nfs/dbraw/zinc/09/86/04/1082098604.db2.gz GKSXYICRPYCKLA-UHFFFAOYSA-N 2 2 320.194 3.191 20 0 DGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)C3)CC2)c1 ZINC001170111828 1082111502 /nfs/dbraw/zinc/11/15/02/1082111502.db2.gz FJGPNVPHSKBRNF-CRAIPNDOSA-N 2 2 302.462 3.438 20 0 DGADLP CC[C@H]1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001170206677 1082311050 /nfs/dbraw/zinc/31/10/50/1082311050.db2.gz ABCAGPHXLCDCMT-ROUUACIJSA-N 2 2 306.494 3.284 20 0 DGADLP CC[C@H]1C[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCO1 ZINC001170206677 1082311056 /nfs/dbraw/zinc/31/10/56/1082311056.db2.gz ABCAGPHXLCDCMT-ROUUACIJSA-N 2 2 306.494 3.284 20 0 DGADLP C[NH+]1CC(CNc2[nH+]ccc3ccn(Cc4ccccc4)c32)C1 ZINC001170252829 1082334675 /nfs/dbraw/zinc/33/46/75/1082334675.db2.gz DGTHCGJMKWENAP-UHFFFAOYSA-N 2 2 306.413 3.058 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001170426478 1082392318 /nfs/dbraw/zinc/39/23/18/1082392318.db2.gz SMEUUTUSYXBFLR-IRXDYDNUSA-N 2 2 318.461 3.056 20 0 DGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001170426478 1082392323 /nfs/dbraw/zinc/39/23/23/1082392323.db2.gz SMEUUTUSYXBFLR-IRXDYDNUSA-N 2 2 318.461 3.056 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](CCC1CCCCC1)C2 ZINC001207256348 1082461400 /nfs/dbraw/zinc/46/14/00/1082461400.db2.gz HAYILADBGVEODK-UHFFFAOYSA-N 2 2 316.493 3.265 20 0 DGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](CCC1CCCCC1)C2 ZINC001207256348 1082461406 /nfs/dbraw/zinc/46/14/06/1082461406.db2.gz HAYILADBGVEODK-UHFFFAOYSA-N 2 2 316.493 3.265 20 0 DGADLP Cc1[nH]c(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(C)[nH+]1 ZINC001167593887 1082577993 /nfs/dbraw/zinc/57/79/93/1082577993.db2.gz FKSHNBQLMSSPKH-UHFFFAOYSA-N 2 2 318.509 3.359 20 0 DGADLP Cc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]c2c1cccc2C(C)C ZINC001170567672 1082686795 /nfs/dbraw/zinc/68/67/95/1082686795.db2.gz FDQZLUILVXEEJS-WMLDXEAASA-N 2 2 313.445 3.455 20 0 DGADLP CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133001663 1083027367 /nfs/dbraw/zinc/02/73/67/1083027367.db2.gz DTONZDLHAYIGLJ-CXAGYDPISA-N 2 2 317.477 3.105 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678337 1083098204 /nfs/dbraw/zinc/09/82/04/1083098204.db2.gz XKJXZMDGUIMSMD-HOTGVXAUSA-N 2 2 308.416 3.142 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678337 1083098208 /nfs/dbraw/zinc/09/82/08/1083098208.db2.gz XKJXZMDGUIMSMD-HOTGVXAUSA-N 2 2 308.416 3.142 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001170706853 1083193369 /nfs/dbraw/zinc/19/33/69/1083193369.db2.gz NOKUELCAKUFWFL-INIZCTEOSA-N 2 2 317.383 3.356 20 0 DGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCCC2CCC2)c(C)[nH+]1 ZINC001481258906 1083338824 /nfs/dbraw/zinc/33/88/24/1083338824.db2.gz CLLPJHJZRTZMJJ-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP C[N@@H+]1CCC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001181265512 1083438690 /nfs/dbraw/zinc/43/86/90/1083438690.db2.gz FQGZVBPHUFAZFD-KRWDZBQOSA-N 2 2 310.445 3.393 20 0 DGADLP C[N@H+]1CCC[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC001181265512 1083438702 /nfs/dbraw/zinc/43/87/02/1083438702.db2.gz FQGZVBPHUFAZFD-KRWDZBQOSA-N 2 2 310.445 3.393 20 0 DGADLP COC1CC(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC001181534163 1083485031 /nfs/dbraw/zinc/48/50/31/1083485031.db2.gz GJJXZPNXTRAMIE-DCHPOBJKSA-N 2 2 311.429 3.126 20 0 DGADLP Cc1nc(NCCC[N@H+]2CCCC[C@H]2C)c2c([nH+]1)CCCC2 ZINC001167751835 1083626029 /nfs/dbraw/zinc/62/60/29/1083626029.db2.gz POHOAQBIQJJYTL-CQSZACIVSA-N 2 2 302.466 3.340 20 0 DGADLP Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)c2c([nH+]1)CCCC2 ZINC001167751835 1083626032 /nfs/dbraw/zinc/62/60/32/1083626032.db2.gz POHOAQBIQJJYTL-CQSZACIVSA-N 2 2 302.466 3.340 20 0 DGADLP COCC1(CC[NH2+][C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001182533404 1083748794 /nfs/dbraw/zinc/74/87/94/1083748794.db2.gz PJSDZPQBMOWOAJ-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP COCC1(CC[NH2+][C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001182533404 1083748802 /nfs/dbraw/zinc/74/88/02/1083748802.db2.gz PJSDZPQBMOWOAJ-IEBWSBKVSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205263906 1083923399 /nfs/dbraw/zinc/92/33/99/1083923399.db2.gz FOGYLYLQIXHJEY-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cc2Br)CC1 ZINC001205263906 1083923403 /nfs/dbraw/zinc/92/34/03/1083923403.db2.gz FOGYLYLQIXHJEY-AWEZNQCLSA-N 2 2 315.230 3.292 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205297089 1084175728 /nfs/dbraw/zinc/17/57/28/1084175728.db2.gz YSMLXFAXCGDZTO-CQSZACIVSA-N 2 2 301.356 3.112 20 0 DGADLP Cc1cc(C(F)(F)F)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205297089 1084175731 /nfs/dbraw/zinc/17/57/31/1084175731.db2.gz YSMLXFAXCGDZTO-CQSZACIVSA-N 2 2 301.356 3.112 20 0 DGADLP CCC(CC)C[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268378204 1084542873 /nfs/dbraw/zinc/54/28/73/1084542873.db2.gz HTELXOCHOJIMKD-CYBMUJFWSA-N 2 2 316.449 3.097 20 0 DGADLP [NH2+]=C(Nc1cc(C(F)(F)F)cc2[nH]ccc21)SCC[NH3+] ZINC001167912153 1084623624 /nfs/dbraw/zinc/62/36/24/1084623624.db2.gz LCAKVSAQOFUTRY-UHFFFAOYSA-N 2 2 302.325 3.225 20 0 DGADLP C[NH+](C)[C@@H]1C[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1(C)C ZINC001186790297 1084702389 /nfs/dbraw/zinc/70/23/89/1084702389.db2.gz HSDBSDRCNGAUCQ-HZPDHXFCSA-N 2 2 309.417 3.023 20 0 DGADLP CCCC[NH2+]C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001270098459 1085691124 /nfs/dbraw/zinc/69/11/24/1085691124.db2.gz RJNXVWSYMQNGLN-MRXNPFEDSA-N 2 2 303.450 3.001 20 0 DGADLP Clc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964605 1085833458 /nfs/dbraw/zinc/83/34/58/1085833458.db2.gz UPVRRWXIKTUUOJ-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP Clc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964605 1085833463 /nfs/dbraw/zinc/83/34/63/1085833463.db2.gz UPVRRWXIKTUUOJ-MQVJKMGUSA-N 2 2 305.853 3.230 20 0 DGADLP C[N@H+](Cc1ccc(F)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137744030 1085874633 /nfs/dbraw/zinc/87/46/33/1085874633.db2.gz KUFWURNIJVBJGS-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP C[N@@H+](Cc1ccc(F)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137744030 1085874637 /nfs/dbraw/zinc/87/46/37/1085874637.db2.gz KUFWURNIJVBJGS-UHFFFAOYSA-N 2 2 305.441 3.450 20 0 DGADLP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167972707 1085912676 /nfs/dbraw/zinc/91/26/76/1085912676.db2.gz ACAHONWTLXNCHE-ALOPSCKCSA-N 2 2 318.436 3.329 20 0 DGADLP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167972707 1085912686 /nfs/dbraw/zinc/91/26/86/1085912686.db2.gz ACAHONWTLXNCHE-ALOPSCKCSA-N 2 2 318.436 3.329 20 0 DGADLP O=C1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]2CCCC[C@H]12 ZINC001167983355 1085938466 /nfs/dbraw/zinc/93/84/66/1085938466.db2.gz GOFWLNBVVSJTTC-JKHFOPOESA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]2CCCC[C@H]12 ZINC001167983355 1085938475 /nfs/dbraw/zinc/93/84/75/1085938475.db2.gz GOFWLNBVVSJTTC-JKHFOPOESA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H]2CCCC[C@H]12 ZINC001167983355 1085938487 /nfs/dbraw/zinc/93/84/87/1085938487.db2.gz GOFWLNBVVSJTTC-JKHFOPOESA-N 2 2 316.489 3.225 20 0 DGADLP O=C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]2CCCC[C@H]12 ZINC001167983355 1085938496 /nfs/dbraw/zinc/93/84/96/1085938496.db2.gz GOFWLNBVVSJTTC-JKHFOPOESA-N 2 2 316.489 3.225 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018504 1086330332 /nfs/dbraw/zinc/33/03/32/1086330332.db2.gz ZMFPTXIEYHHEEO-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018504 1086330340 /nfs/dbraw/zinc/33/03/40/1086330340.db2.gz ZMFPTXIEYHHEEO-HGKCTWBKSA-N 2 2 310.445 3.008 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056610 1086626498 /nfs/dbraw/zinc/62/64/98/1086626498.db2.gz GQVYCQSWIZJFIY-JSJNYSNDSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056610 1086626499 /nfs/dbraw/zinc/62/64/99/1086626499.db2.gz GQVYCQSWIZJFIY-JSJNYSNDSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056610 1086626505 /nfs/dbraw/zinc/62/65/05/1086626505.db2.gz GQVYCQSWIZJFIY-JSJNYSNDSA-N 2 2 314.473 3.339 20 0 DGADLP CC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056610 1086626508 /nfs/dbraw/zinc/62/65/08/1086626508.db2.gz GQVYCQSWIZJFIY-JSJNYSNDSA-N 2 2 314.473 3.339 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC001168101241 1086883779 /nfs/dbraw/zinc/88/37/79/1086883779.db2.gz HYHJQTQYWRMLOM-UFWDDKOYSA-N 2 2 320.521 3.290 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112866 1086920848 /nfs/dbraw/zinc/92/08/48/1086920848.db2.gz DZKLBDMFTWQANR-QFBILLFUSA-N 2 2 302.462 3.150 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001168112866 1086920855 /nfs/dbraw/zinc/92/08/55/1086920855.db2.gz DZKLBDMFTWQANR-QFBILLFUSA-N 2 2 302.462 3.150 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292257 1087284772 /nfs/dbraw/zinc/28/47/72/1087284772.db2.gz SYLIZJMRBCMEGE-PKOBYXMFSA-N 2 2 324.424 3.019 20 0 DGADLP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001168292257 1087284776 /nfs/dbraw/zinc/28/47/76/1087284776.db2.gz SYLIZJMRBCMEGE-PKOBYXMFSA-N 2 2 324.424 3.019 20 0 DGADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC001168362968 1087374058 /nfs/dbraw/zinc/37/40/58/1087374058.db2.gz NTORHTRMNGLILH-UHFFFAOYSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ncccc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168365765 1087387761 /nfs/dbraw/zinc/38/77/61/1087387761.db2.gz WIGDJELDRWLXES-GOSISDBHSA-N 2 2 315.461 3.005 20 0 DGADLP CCC(CC)[NH+]1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168366763 1087409845 /nfs/dbraw/zinc/40/98/45/1087409845.db2.gz ZJPSRPYTSJCFNO-UHFFFAOYSA-N 3 2 307.526 3.103 20 0 DGADLP Cc1[nH+]cn([C@@H]2CCc3cc(F)ccc3C2)c1CSCC[NH3+] ZINC001168406569 1087567857 /nfs/dbraw/zinc/56/78/57/1087567857.db2.gz HMEXPGJIGHJOEJ-MRXNPFEDSA-N 2 2 319.449 3.253 20 0 DGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168408757 1087570591 /nfs/dbraw/zinc/57/05/91/1087570591.db2.gz XEDKDSXIVCDYKB-BEFAXECRSA-N 2 2 304.453 3.393 20 0 DGADLP Cc1nc2[nH]ccc2c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158265399 1087751225 /nfs/dbraw/zinc/75/12/25/1087751225.db2.gz GXSUTNBYELVZIV-SJCJKPOMSA-N 2 2 301.438 3.222 20 0 DGADLP CCc1cc(-n2c(C)c(CC[NH3+])c3cc(OC)ccc32)nc(C)[nH+]1 ZINC001158297021 1087763893 /nfs/dbraw/zinc/76/38/93/1087763893.db2.gz PVUIBBLLQNEAJH-UHFFFAOYSA-N 2 2 324.428 3.110 20 0 DGADLP COc1cc[nH+]c(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001158523005 1087892442 /nfs/dbraw/zinc/89/24/42/1087892442.db2.gz FAZQOSHHRXZINZ-HZPDHXFCSA-N 2 2 311.429 3.189 20 0 DGADLP CN(Cc1ccccc1)c1ccc(Nc2cc[nH+]c(N)c2)c[nH+]1 ZINC001159114000 1088187194 /nfs/dbraw/zinc/18/71/94/1088187194.db2.gz NIMOQQAGTNGHSW-UHFFFAOYSA-N 2 2 305.385 3.439 20 0 DGADLP CNc1ccc(Nc2ccc(COC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159254430 1088256567 /nfs/dbraw/zinc/25/65/67/1088256567.db2.gz WSDGRVUDDJAUIZ-UHFFFAOYSA-N 2 2 312.417 3.136 20 0 DGADLP Cc1cc(F)c(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1F ZINC001159261898 1088260648 /nfs/dbraw/zinc/26/06/48/1088260648.db2.gz STTDBUPELDAEBS-UHFFFAOYSA-N 2 2 318.371 3.339 20 0 DGADLP Cc1ccc(Nc2cccnc2OCC2CC[NH2+]CC2)c(C)[nH+]1 ZINC001159295331 1088276338 /nfs/dbraw/zinc/27/63/38/1088276338.db2.gz SWHYABZZTJCGDY-UHFFFAOYSA-N 2 2 312.417 3.215 20 0 DGADLP Cc1cc(C)c(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c[nH+]1 ZINC001159343717 1088307196 /nfs/dbraw/zinc/30/71/96/1088307196.db2.gz GOUQAYPMPANSDC-UHFFFAOYSA-N 2 2 312.417 3.215 20 0 DGADLP CC(C)[NH2+]c1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001159346785 1088308500 /nfs/dbraw/zinc/30/85/00/1088308500.db2.gz APZFBSFURFGPDZ-MRXNPFEDSA-N 2 2 312.417 3.386 20 0 DGADLP c1cc2c(cc1Nc1ccc(N3CCCC3)[nH+]c1)CC[NH2+]CC2 ZINC001159679120 1088442422 /nfs/dbraw/zinc/44/24/22/1088442422.db2.gz MBGNTNGMEJLQBX-UHFFFAOYSA-N 2 2 308.429 3.114 20 0 DGADLP [NH3+][C@@H]1CCCN(c2ccccc2Nc2cccc3[nH+]c[nH]c32)C1 ZINC001159982112 1088587069 /nfs/dbraw/zinc/58/70/69/1088587069.db2.gz IUGAGQOXACJIQS-CYBMUJFWSA-N 2 2 307.401 3.234 20 0 DGADLP Cc1cc(C)c(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)c[nH+]1 ZINC001160056036 1088624513 /nfs/dbraw/zinc/62/45/13/1088624513.db2.gz MPRKZAHALRDAKQ-CQSZACIVSA-N 2 2 300.381 3.119 20 0 DGADLP Cc1ccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC001160141411 1088665178 /nfs/dbraw/zinc/66/51/78/1088665178.db2.gz MPXMFRFPLXTESL-CQSZACIVSA-N 2 2 301.365 3.322 20 0 DGADLP Fc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160161695 1088677818 /nfs/dbraw/zinc/67/78/18/1088677818.db2.gz DXWILLIUKLRZBK-GFCCVEGCSA-N 2 2 312.348 3.138 20 0 DGADLP Cc1c[nH+]c(C)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c1 ZINC001160163976 1088678542 /nfs/dbraw/zinc/67/85/42/1088678542.db2.gz OJNLCYWLYGYZBD-CQSZACIVSA-N 2 2 301.365 3.322 20 0 DGADLP COc1cc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)cc(C)[nH+]1 ZINC001160220479 1088706103 /nfs/dbraw/zinc/70/61/03/1088706103.db2.gz TZEJLBJJEPFJKN-KRWDZBQOSA-N 2 2 313.401 3.273 20 0 DGADLP COc1cc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC001160234188 1088715963 /nfs/dbraw/zinc/71/59/63/1088715963.db2.gz UVWFXCJYAGYJJG-OAHLLOKOSA-N 2 2 313.401 3.273 20 0 DGADLP CCCN(CCC)c1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]cn1 ZINC001155030372 1088907448 /nfs/dbraw/zinc/90/74/48/1088907448.db2.gz JOPWGZVZDZGHLX-HZPDHXFCSA-N 2 2 319.497 3.151 20 0 DGADLP CCCN(CCC)c1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc[nH+]1 ZINC001155030372 1088907464 /nfs/dbraw/zinc/90/74/64/1088907464.db2.gz JOPWGZVZDZGHLX-HZPDHXFCSA-N 2 2 319.497 3.151 20 0 DGADLP Cc1cc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])nc(C2CC2)[nH+]1 ZINC001160665189 1088911057 /nfs/dbraw/zinc/91/10/57/1088911057.db2.gz JHHLHNROXYOCSD-AWEZNQCLSA-N 2 2 310.445 3.264 20 0 DGADLP CCSc1cc[nH+]c(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160743245 1088940769 /nfs/dbraw/zinc/94/07/69/1088940769.db2.gz MNAJLYXAZSLXNJ-QWRGUYRKSA-N 2 2 305.369 3.146 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001155097858 1088943284 /nfs/dbraw/zinc/94/32/84/1088943284.db2.gz ZUZRMHCNLUYLBB-IBGZPJMESA-N 2 2 323.440 3.288 20 0 DGADLP CC(C)Oc1cc[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001155097858 1088943301 /nfs/dbraw/zinc/94/33/01/1088943301.db2.gz ZUZRMHCNLUYLBB-IBGZPJMESA-N 2 2 323.440 3.288 20 0 DGADLP CCCc1cc(-n2cc(C[NH3+])c3c2cccc3OC)nc(C)[nH+]1 ZINC001160763835 1088945700 /nfs/dbraw/zinc/94/57/00/1088945700.db2.gz UGBXRIYLQQJSJJ-UHFFFAOYSA-N 2 2 310.401 3.149 20 0 DGADLP CCC(CC)[NH+]1CCC(Nc2nc(C)[nH+]c3c2CCC3)CC1 ZINC001161099070 1089114749 /nfs/dbraw/zinc/11/47/49/1089114749.db2.gz UDJKHPUEKHGQJN-UHFFFAOYSA-N 2 2 302.466 3.339 20 0 DGADLP COCc1cc[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)c1 ZINC001161233649 1089163704 /nfs/dbraw/zinc/16/37/04/1089163704.db2.gz XVSPWSFQERFGOD-UHFFFAOYSA-N 2 2 303.450 3.152 20 0 DGADLP c1ccc(COc2ccc[nH+]c2N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001155587759 1089176444 /nfs/dbraw/zinc/17/64/44/1089176444.db2.gz DTZTXAYFXHQLOX-IKGGRYGDSA-N 2 2 309.413 3.071 20 0 DGADLP c1cn(CCCNc2cc(OCc3ccccc3)cc[nH+]2)c[nH+]1 ZINC001161682319 1089344613 /nfs/dbraw/zinc/34/46/13/1089344613.db2.gz OFPCHEDQAXFQSY-UHFFFAOYSA-N 2 2 308.385 3.359 20 0 DGADLP CC[NH+](CC)Cc1cc(NCCCn2cc[nH+]c2)ccc1OC ZINC001161689416 1089349570 /nfs/dbraw/zinc/34/95/70/1089349570.db2.gz SQUBKJBQHHZAQM-UHFFFAOYSA-N 2 2 316.449 3.236 20 0 DGADLP O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001156799987 1089698085 /nfs/dbraw/zinc/69/80/85/1089698085.db2.gz MUPHBFMUDMYQQI-UHFFFAOYSA-N 2 2 319.368 3.191 20 0 DGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1C ZINC001162461763 1089744748 /nfs/dbraw/zinc/74/47/48/1089744748.db2.gz QYOPVVVBJVBUBL-WFASDCNBSA-N 2 2 304.482 3.439 20 0 DGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001162461341 1089744805 /nfs/dbraw/zinc/74/48/05/1089744805.db2.gz OSJZCQLABZEWLW-WBVHZDCISA-N 2 2 310.445 3.115 20 0 DGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@]2(F)CCCC[NH2+]C2)c1C ZINC001162580040 1089805528 /nfs/dbraw/zinc/80/55/28/1089805528.db2.gz MSNAZBQTRTZSEU-KRWDZBQOSA-N 2 2 308.445 3.285 20 0 DGADLP COc1cccc2c(NC[C@]3(F)CCCC[NH2+]C3)cc[nH+]c12 ZINC001162588004 1089813452 /nfs/dbraw/zinc/81/34/52/1089813452.db2.gz ZYLZOLXEAQEBFY-KRWDZBQOSA-N 2 2 303.381 3.137 20 0 DGADLP COc1ccc2cc[nH+]c(NCC[C@H]3CC[NH2+]CC3(F)F)c2c1 ZINC001162811713 1089968074 /nfs/dbraw/zinc/96/80/74/1089968074.db2.gz DFNREELEAVZLGN-CYBMUJFWSA-N 2 2 321.371 3.290 20 0 DGADLP [NH3+][C@@H]1Cc2ccccc2N(c2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001162853302 1089993236 /nfs/dbraw/zinc/99/32/36/1089993236.db2.gz GWCJVCPQXCVWQM-CQSZACIVSA-N 2 2 308.360 3.033 20 0 DGADLP Cc1nc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)cc(C(C)C)[nH+]1 ZINC001162877281 1090002084 /nfs/dbraw/zinc/00/20/84/1090002084.db2.gz AADACYDZOLEOIA-INIZCTEOSA-N 2 2 320.481 3.067 20 0 DGADLP C[C@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c(N3CCCC3)n2)c1 ZINC001162903994 1090016779 /nfs/dbraw/zinc/01/67/79/1090016779.db2.gz SLEMGOVBWUQNBD-ZDUSSCGKSA-N 2 2 307.401 3.040 20 0 DGADLP CCC[N@@H+](Cc1cc(F)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236833397 1090035217 /nfs/dbraw/zinc/03/52/17/1090035217.db2.gz APELXKXYGDXABM-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP CCC[N@H+](Cc1cc(F)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236833397 1090035228 /nfs/dbraw/zinc/03/52/28/1090035228.db2.gz APELXKXYGDXABM-NSHDSACASA-N 2 2 302.796 3.440 20 0 DGADLP COc1ccc2[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c(C)cc2c1 ZINC001162981174 1090044624 /nfs/dbraw/zinc/04/46/24/1090044624.db2.gz SCDBMYPXUFCGHV-UHFFFAOYSA-N 2 2 311.429 3.496 20 0 DGADLP [NH3+]C[C@]1(F)CCN(c2cc(SCc3ccccc3)cc[nH+]2)C1 ZINC001157816688 1090120388 /nfs/dbraw/zinc/12/03/88/1090120388.db2.gz LWWWYMGAQVIIOP-QGZVFWFLSA-N 2 2 317.433 3.251 20 0 DGADLP C[NH+](C)Cc1c(F)cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc1F ZINC001163228744 1090126190 /nfs/dbraw/zinc/12/61/90/1090126190.db2.gz CPQHKLVHSSYXQJ-OAHLLOKOSA-N 2 2 323.412 3.344 20 0 DGADLP Cn1c[nH+]cc1-c1cccc(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001163231754 1090127967 /nfs/dbraw/zinc/12/79/67/1090127967.db2.gz YXBUBVXNVDYJKQ-HNNXBMFYSA-N 2 2 310.426 3.405 20 0 DGADLP Cc1cc(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)nc(C)[nH+]1 ZINC001163298703 1090143930 /nfs/dbraw/zinc/14/39/30/1090143930.db2.gz JGDAIOKIWWDQMQ-UHFFFAOYSA-N 2 2 304.482 3.430 20 0 DGADLP Cc1ccc(-c2cc[nH+]c(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001163310728 1090147708 /nfs/dbraw/zinc/14/77/08/1090147708.db2.gz OIJRTBYYNWFQFN-UYAOXDASSA-N 2 2 323.440 3.380 20 0 DGADLP CC(C)N(c1[nH+]c(N2CCCC2)cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC001158032071 1090175415 /nfs/dbraw/zinc/17/54/15/1090175415.db2.gz ACFIQDGTNNXNBJ-QGZVFWFLSA-N 2 2 324.472 3.412 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]CC[C@H](C)F)c(C)[nH+]1 ZINC001485731330 1090258545 /nfs/dbraw/zinc/25/85/45/1090258545.db2.gz TZANWAWPKHFQEZ-UONOGXRCSA-N 2 2 323.456 3.243 20 0 DGADLP Cc1[nH+]ccn1CCNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001163924436 1090287620 /nfs/dbraw/zinc/28/76/20/1090287620.db2.gz WYBBWKKFIRGVMT-UHFFFAOYSA-N 2 2 317.393 3.046 20 0 DGADLP Cc1nc(N2CCC(F)(F)[C@H]([NH3+])C2)cc(C2CCCCC2)[nH+]1 ZINC001164322887 1090400799 /nfs/dbraw/zinc/40/07/99/1090400799.db2.gz HHMHOXZAFIEWTN-CQSZACIVSA-N 2 2 310.392 3.005 20 0 DGADLP CCc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)o1 ZINC001204390561 1090452961 /nfs/dbraw/zinc/45/29/61/1090452961.db2.gz HPFWHBMUMREJQT-IBGZPJMESA-N 2 2 320.477 3.165 20 0 DGADLP CCc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)o1 ZINC001204390561 1090452966 /nfs/dbraw/zinc/45/29/66/1090452966.db2.gz HPFWHBMUMREJQT-IBGZPJMESA-N 2 2 320.477 3.165 20 0 DGADLP CCc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)o1 ZINC001204390561 1090452970 /nfs/dbraw/zinc/45/29/70/1090452970.db2.gz HPFWHBMUMREJQT-IBGZPJMESA-N 2 2 320.477 3.165 20 0 DGADLP CCc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)o1 ZINC001204390561 1090452972 /nfs/dbraw/zinc/45/29/72/1090452972.db2.gz HPFWHBMUMREJQT-IBGZPJMESA-N 2 2 320.477 3.165 20 0 DGADLP CCc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165091395 1090463980 /nfs/dbraw/zinc/46/39/80/1090463980.db2.gz ZZRUMBOWKGWJMK-IEBWSBKVSA-N 2 2 322.456 3.058 20 0 DGADLP CCc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165091395 1090463983 /nfs/dbraw/zinc/46/39/83/1090463983.db2.gz ZZRUMBOWKGWJMK-IEBWSBKVSA-N 2 2 322.456 3.058 20 0 DGADLP Clc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001165236539 1090485348 /nfs/dbraw/zinc/48/53/48/1090485348.db2.gz JXNNTGQZNMEQRE-QGZVFWFLSA-N 2 2 301.821 3.468 20 0 DGADLP Cc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001165238447 1090486354 /nfs/dbraw/zinc/48/63/54/1090486354.db2.gz AVZBLWYJYSHFNQ-LJQANCHMSA-N 2 2 314.477 3.413 20 0 DGADLP CC(C)Oc1cc(NCC2C[NH+](Cc3ccccc3)C2)cc[nH+]1 ZINC001165442122 1090521843 /nfs/dbraw/zinc/52/18/43/1090521843.db2.gz KFFIRLCIIQGHJD-UHFFFAOYSA-N 2 2 311.429 3.413 20 0 DGADLP Cc1c(F)cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001165668655 1090537332 /nfs/dbraw/zinc/53/73/32/1090537332.db2.gz BXUXYJDOHLPTHI-CQSZACIVSA-N 2 2 321.440 3.045 20 0 DGADLP Cc1cc2ccccc2c(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)[nH+]1 ZINC001166033582 1090571210 /nfs/dbraw/zinc/57/12/10/1090571210.db2.gz YJWYSJAJESCMJJ-UHFFFAOYSA-N 2 2 324.428 3.178 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168587012 1090588898 /nfs/dbraw/zinc/58/88/98/1090588898.db2.gz UTOIYNBFVITVRS-MJGOQNOKSA-N 2 2 320.477 3.237 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168587012 1090588901 /nfs/dbraw/zinc/58/89/01/1090588901.db2.gz UTOIYNBFVITVRS-MJGOQNOKSA-N 2 2 320.477 3.237 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCNc4ccccc43)c2)C1 ZINC001168649229 1090668199 /nfs/dbraw/zinc/66/81/99/1090668199.db2.gz MSWWLNBIBURACV-OXQOHEQNSA-N 2 2 322.456 3.188 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCNc4ccccc43)c2)C1 ZINC001168649229 1090668202 /nfs/dbraw/zinc/66/82/02/1090668202.db2.gz MSWWLNBIBURACV-OXQOHEQNSA-N 2 2 322.456 3.188 20 0 DGADLP Nc1cn2ccc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2[nH+]1 ZINC001166900247 1090673418 /nfs/dbraw/zinc/67/34/18/1090673418.db2.gz ITCAHSXPCGLAKA-KRWDZBQOSA-N 2 2 321.428 3.166 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)o1 ZINC001203290841 1090714030 /nfs/dbraw/zinc/71/40/30/1090714030.db2.gz TWWPPLLIGKMJTK-HUUCEWRRSA-N 2 2 302.443 3.213 20 0 DGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)o1 ZINC001203290840 1090714201 /nfs/dbraw/zinc/71/42/01/1090714201.db2.gz TWWPPLLIGKMJTK-GJZGRUSLSA-N 2 2 302.443 3.213 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2OC)CC1 ZINC001203456097 1090737523 /nfs/dbraw/zinc/73/75/23/1090737523.db2.gz VPMJKPPHBLKXCT-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2OC)CC1 ZINC001203456097 1090737528 /nfs/dbraw/zinc/73/75/28/1090737528.db2.gz VPMJKPPHBLKXCT-UHFFFAOYSA-N 2 2 320.477 3.400 20 0 DGADLP CNc1ccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC001203456304 1090737705 /nfs/dbraw/zinc/73/77/05/1090737705.db2.gz BQTLKTABAQIKND-UHFFFAOYSA-N 2 2 312.417 3.342 20 0 DGADLP COc1ccc2[nH+]c(N)n(-c3cc[nH+]c4cc(OC)ccc43)c2c1 ZINC001203520430 1090746984 /nfs/dbraw/zinc/74/69/84/1090746984.db2.gz UESWFEINZYBRRQ-UHFFFAOYSA-N 2 2 320.352 3.173 20 0 DGADLP CCOc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001203547476 1090753084 /nfs/dbraw/zinc/75/30/84/1090753084.db2.gz OIJRTZWRAUYPAF-QGZVFWFLSA-N 2 2 312.413 3.442 20 0 DGADLP CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001203547476 1090753089 /nfs/dbraw/zinc/75/30/89/1090753089.db2.gz OIJRTZWRAUYPAF-QGZVFWFLSA-N 2 2 312.413 3.442 20 0 DGADLP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001486204756 1090787796 /nfs/dbraw/zinc/78/77/96/1090787796.db2.gz HBPRQDADYPIDJJ-DLBZAZTESA-N 2 2 317.477 3.295 20 0 DGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(C)c1 ZINC001203731733 1090791214 /nfs/dbraw/zinc/79/12/14/1090791214.db2.gz KTVUHICMQCJNBB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(C)c1 ZINC001203731733 1090791220 /nfs/dbraw/zinc/79/12/20/1090791220.db2.gz KTVUHICMQCJNBB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(C)c1 ZINC001203731733 1090791227 /nfs/dbraw/zinc/79/12/27/1090791227.db2.gz KTVUHICMQCJNBB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(C)c1 ZINC001203731733 1090791231 /nfs/dbraw/zinc/79/12/31/1090791231.db2.gz KTVUHICMQCJNBB-BGYRXZFFSA-N 2 2 321.468 3.262 20 0 DGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001204014781 1090868335 /nfs/dbraw/zinc/86/83/35/1090868335.db2.gz OIYJKQAMVGHZFD-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC001204014781 1090868338 /nfs/dbraw/zinc/86/83/38/1090868338.db2.gz OIYJKQAMVGHZFD-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC001204014781 1090868342 /nfs/dbraw/zinc/86/83/42/1090868342.db2.gz OIYJKQAMVGHZFD-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC001204014781 1090868346 /nfs/dbraw/zinc/86/83/46/1090868346.db2.gz OIYJKQAMVGHZFD-KRWDZBQOSA-N 2 2 308.491 3.071 20 0 DGADLP CCOc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1O ZINC001204136047 1090907278 /nfs/dbraw/zinc/90/72/78/1090907278.db2.gz KGFSMFRHDYIBOB-UHFFFAOYSA-N 2 2 306.450 3.096 20 0 DGADLP CCOc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1O ZINC001204136047 1090907281 /nfs/dbraw/zinc/90/72/81/1090907281.db2.gz KGFSMFRHDYIBOB-UHFFFAOYSA-N 2 2 306.450 3.096 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001204232024 1090929363 /nfs/dbraw/zinc/92/93/63/1090929363.db2.gz BZNLDMKDMFEHIF-INIZCTEOSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001204232024 1090929368 /nfs/dbraw/zinc/92/93/68/1090929368.db2.gz BZNLDMKDMFEHIF-INIZCTEOSA-N 2 2 304.340 3.322 20 0 DGADLP Cc1[nH]c2ccccc2c1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001204290231 1090941614 /nfs/dbraw/zinc/94/16/14/1090941614.db2.gz RWEBDWAQNCHIRN-UHFFFAOYSA-N 2 2 309.457 3.394 20 0 DGADLP Cc1[nH]c2ccccc2c1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001204290231 1090941616 /nfs/dbraw/zinc/94/16/16/1090941616.db2.gz RWEBDWAQNCHIRN-UHFFFAOYSA-N 2 2 309.457 3.394 20 0 DGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1OC ZINC001204359518 1090956305 /nfs/dbraw/zinc/95/63/05/1090956305.db2.gz WKMLCJYYBYQRCA-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1OC ZINC001204359518 1090956309 /nfs/dbraw/zinc/95/63/09/1090956309.db2.gz WKMLCJYYBYQRCA-UHFFFAOYSA-N 2 2 306.450 3.010 20 0 DGADLP CC(C)[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204530840 1090993215 /nfs/dbraw/zinc/99/32/15/1090993215.db2.gz JNBKGYMVYNARAI-UHFFFAOYSA-N 2 2 300.368 3.409 20 0 DGADLP CC(C)[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204530840 1090993220 /nfs/dbraw/zinc/99/32/20/1090993220.db2.gz JNBKGYMVYNARAI-UHFFFAOYSA-N 2 2 300.368 3.409 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)c2c1 ZINC001204945900 1091069816 /nfs/dbraw/zinc/06/98/16/1091069816.db2.gz KCNLGAQUEQCGFP-LJQANCHMSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)c2c1 ZINC001204945900 1091069823 /nfs/dbraw/zinc/06/98/23/1091069823.db2.gz KCNLGAQUEQCGFP-LJQANCHMSA-N 2 2 314.429 3.170 20 0 DGADLP CC/C=C\CCCCC[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001276478136 1091074505 /nfs/dbraw/zinc/07/45/05/1091074505.db2.gz NMCFKMSWVXRCNF-ARJAWSKDSA-N 2 2 316.493 3.027 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001205075809 1091095812 /nfs/dbraw/zinc/09/58/12/1091095812.db2.gz OBVCXKDMVKWWBO-BBRMVZONSA-N 2 2 303.837 3.442 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccn1-c1ccc(Cl)cc1 ZINC001205075809 1091095817 /nfs/dbraw/zinc/09/58/17/1091095817.db2.gz OBVCXKDMVKWWBO-BBRMVZONSA-N 2 2 303.837 3.442 20 0 DGADLP Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1C ZINC001205076907 1091096669 /nfs/dbraw/zinc/09/66/69/1091096669.db2.gz ZYDZHWYIDCSYQQ-PMACEKPBSA-N 2 2 321.468 3.262 20 0 DGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205087837 1091098829 /nfs/dbraw/zinc/09/88/29/1091098829.db2.gz JSVUXLSGRGDVMX-YOEHRIQHSA-N 2 2 311.429 3.069 20 0 DGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205087837 1091098837 /nfs/dbraw/zinc/09/88/37/1091098837.db2.gz JSVUXLSGRGDVMX-YOEHRIQHSA-N 2 2 311.429 3.069 20 0 DGADLP C[C@H]1C[N@H+](Cc2c(F)cc(C(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205150631 1091113430 /nfs/dbraw/zinc/11/34/30/1091113430.db2.gz GIJPOCGEOAQNJY-DTWKUNHWSA-N 2 2 308.294 3.010 20 0 DGADLP C[C@H]1C[N@@H+](Cc2c(F)cc(C(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205150631 1091113432 /nfs/dbraw/zinc/11/34/32/1091113432.db2.gz GIJPOCGEOAQNJY-DTWKUNHWSA-N 2 2 308.294 3.010 20 0 DGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2nccnc2c1 ZINC001138299095 1091134209 /nfs/dbraw/zinc/13/42/09/1091134209.db2.gz OUCTWFGYEOXCIG-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2sccc2Br)CC1 ZINC001205274604 1091161111 /nfs/dbraw/zinc/16/11/11/1091161111.db2.gz YPTGPNCLRGYGRR-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2sccc2Br)CC1 ZINC001205274604 1091161115 /nfs/dbraw/zinc/16/11/15/1091161115.db2.gz YPTGPNCLRGYGRR-GFCCVEGCSA-N 2 2 303.269 3.214 20 0 DGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001205296419 1091169299 /nfs/dbraw/zinc/16/92/99/1091169299.db2.gz OXTPCQDRKOKZIT-QGZVFWFLSA-N 2 2 303.381 3.184 20 0 DGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001205296419 1091169305 /nfs/dbraw/zinc/16/93/05/1091169305.db2.gz OXTPCQDRKOKZIT-QGZVFWFLSA-N 2 2 303.381 3.184 20 0 DGADLP CC(C)Oc1c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccc(F)c1F ZINC001205296340 1091169827 /nfs/dbraw/zinc/16/98/27/1091169827.db2.gz MTIAHGOTUFLFOY-KRWDZBQOSA-N 2 2 312.404 3.455 20 0 DGADLP CC(C)Oc1c(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc(F)c1F ZINC001205296340 1091169834 /nfs/dbraw/zinc/16/98/34/1091169834.db2.gz MTIAHGOTUFLFOY-KRWDZBQOSA-N 2 2 312.404 3.455 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304346 1091175161 /nfs/dbraw/zinc/17/51/61/1091175161.db2.gz OABAEXBEHYYCSC-WCQYABFASA-N 2 2 316.367 3.131 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC001205304346 1091175164 /nfs/dbraw/zinc/17/51/64/1091175164.db2.gz OABAEXBEHYYCSC-WCQYABFASA-N 2 2 316.367 3.131 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305488 1091176520 /nfs/dbraw/zinc/17/65/20/1091176520.db2.gz RRMDDIJZAYQMCV-MWLCHTKSSA-N 2 2 322.321 3.400 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC001205305488 1091176525 /nfs/dbraw/zinc/17/65/25/1091176525.db2.gz RRMDDIJZAYQMCV-MWLCHTKSSA-N 2 2 322.321 3.400 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001138443432 1091186368 /nfs/dbraw/zinc/18/63/68/1091186368.db2.gz DRZHVLOYNYNWIT-UHFFFAOYSA-N 2 2 321.424 3.493 20 0 DGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001138443432 1091186373 /nfs/dbraw/zinc/18/63/73/1091186373.db2.gz DRZHVLOYNYNWIT-UHFFFAOYSA-N 2 2 321.424 3.493 20 0 DGADLP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431822 1091219904 /nfs/dbraw/zinc/21/99/04/1091219904.db2.gz UDRMNLHPWJNWFQ-JENIJYKNSA-N 2 2 303.494 3.060 20 0 DGADLP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC001205431822 1091219912 /nfs/dbraw/zinc/21/99/12/1091219912.db2.gz UDRMNLHPWJNWFQ-JENIJYKNSA-N 2 2 303.494 3.060 20 0 DGADLP CC[N@H+](Cc1ccccc1N1CCCC1)C1CC[NH+](C)CC1 ZINC001138611619 1091253993 /nfs/dbraw/zinc/25/39/93/1091253993.db2.gz CDRLASJXIXVNSE-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CC[N@@H+](Cc1ccccc1N1CCCC1)C1CC[NH+](C)CC1 ZINC001138611619 1091254000 /nfs/dbraw/zinc/25/40/00/1091254000.db2.gz CDRLASJXIXVNSE-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCCC2)CC1 ZINC001138612051 1091254396 /nfs/dbraw/zinc/25/43/96/1091254396.db2.gz ZMMJDKYGATWGIZ-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CCCC2)CC1 ZINC001138612051 1091254404 /nfs/dbraw/zinc/25/44/04/1091254404.db2.gz ZMMJDKYGATWGIZ-UHFFFAOYSA-N 2 2 301.478 3.203 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(CC)c2C)CC1 ZINC001138648592 1091274623 /nfs/dbraw/zinc/27/46/23/1091274623.db2.gz UIJMJJIZQOUKFD-UHFFFAOYSA-N 2 2 306.498 3.216 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(CC)c2C)CC1 ZINC001138648592 1091274629 /nfs/dbraw/zinc/27/46/29/1091274629.db2.gz UIJMJJIZQOUKFD-UHFFFAOYSA-N 2 2 306.498 3.216 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](CCc2ccccc2C(F)(F)F)CCC1(F)F ZINC001205762782 1091338142 /nfs/dbraw/zinc/33/81/42/1091338142.db2.gz NLQDAZPIZWKRKL-LBPRGKRZSA-N 2 2 322.321 3.164 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](CCc2ccccc2C(F)(F)F)CCC1(F)F ZINC001205762782 1091338152 /nfs/dbraw/zinc/33/81/52/1091338152.db2.gz NLQDAZPIZWKRKL-LBPRGKRZSA-N 2 2 322.321 3.164 20 0 DGADLP CC1(C)CCc2cc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2O1 ZINC001205779913 1091343835 /nfs/dbraw/zinc/34/38/35/1091343835.db2.gz NGXDEBCUILDZSO-HNNXBMFYSA-N 2 2 324.415 3.206 20 0 DGADLP CC1(C)CCc2cc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2O1 ZINC001205779913 1091343848 /nfs/dbraw/zinc/34/38/48/1091343848.db2.gz NGXDEBCUILDZSO-HNNXBMFYSA-N 2 2 324.415 3.206 20 0 DGADLP Clc1cccc2c(C[N@H+]3CCc4[nH+]ccn4CC3)c[nH]c21 ZINC001138833955 1091348233 /nfs/dbraw/zinc/34/82/33/1091348233.db2.gz QWZJXRGBEAEEGE-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP Clc1cccc2c(C[N@@H+]3CCc4[nH+]ccn4CC3)c[nH]c21 ZINC001138833955 1091348243 /nfs/dbraw/zinc/34/82/43/1091348243.db2.gz QWZJXRGBEAEEGE-UHFFFAOYSA-N 2 2 300.793 3.076 20 0 DGADLP c1ccc2nc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001138866032 1091360341 /nfs/dbraw/zinc/36/03/41/1091360341.db2.gz AAIFDPVBESYVAM-GOSISDBHSA-N 2 2 324.472 3.470 20 0 DGADLP c1ccc2nc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001138866032 1091360351 /nfs/dbraw/zinc/36/03/51/1091360351.db2.gz AAIFDPVBESYVAM-GOSISDBHSA-N 2 2 324.472 3.470 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2cnc3ccccc3n2)C2CCCC2)CC1 ZINC001138867219 1091362578 /nfs/dbraw/zinc/36/25/78/1091362578.db2.gz IRIVMBXJZQQTRJ-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2cnc3ccccc3n2)C2CCCC2)CC1 ZINC001138867219 1091362589 /nfs/dbraw/zinc/36/25/89/1091362589.db2.gz IRIVMBXJZQQTRJ-UHFFFAOYSA-N 2 2 324.472 3.469 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001205821737 1091366477 /nfs/dbraw/zinc/36/64/77/1091366477.db2.gz GBLPFQDXPSKVOH-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001205821737 1091366485 /nfs/dbraw/zinc/36/64/85/1091366485.db2.gz GBLPFQDXPSKVOH-HOJAQTOUSA-N 2 2 316.489 3.446 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205830246 1091372141 /nfs/dbraw/zinc/37/21/41/1091372141.db2.gz SHTYBQDQIQJEFS-UKRRQHHQSA-N 2 2 301.434 3.126 20 0 DGADLP CCOc1ccc2[nH]cc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205830246 1091372149 /nfs/dbraw/zinc/37/21/49/1091372149.db2.gz SHTYBQDQIQJEFS-UKRRQHHQSA-N 2 2 301.434 3.126 20 0 DGADLP Cc1cnccc1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001205862857 1091383947 /nfs/dbraw/zinc/38/39/47/1091383947.db2.gz PUXRNQNPXISGCS-UHFFFAOYSA-N 2 2 321.468 3.413 20 0 DGADLP Cc1cnccc1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001205862857 1091383956 /nfs/dbraw/zinc/38/39/56/1091383956.db2.gz PUXRNQNPXISGCS-UHFFFAOYSA-N 2 2 321.468 3.413 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OCC(C)C)cc1 ZINC001138969605 1091397232 /nfs/dbraw/zinc/39/72/32/1091397232.db2.gz CKCVPCHLBNAYFB-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OCC(C)C)cc1 ZINC001138969605 1091397240 /nfs/dbraw/zinc/39/72/40/1091397240.db2.gz CKCVPCHLBNAYFB-UHFFFAOYSA-N 2 2 301.434 3.440 20 0 DGADLP CC(C)COc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001138970019 1091398493 /nfs/dbraw/zinc/39/84/93/1091398493.db2.gz BSRWXSZODGTZPC-UHFFFAOYSA-N 2 2 302.462 3.392 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Br ZINC001205903516 1091402445 /nfs/dbraw/zinc/40/24/45/1091402445.db2.gz PVHHGXGGRDWHRX-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Br ZINC001205903516 1091402447 /nfs/dbraw/zinc/40/24/47/1091402447.db2.gz PVHHGXGGRDWHRX-GHMZBOCLSA-N 2 2 315.230 3.147 20 0 DGADLP CCOc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)cc1OCC ZINC001138975514 1091403821 /nfs/dbraw/zinc/40/38/21/1091403821.db2.gz JZWAVLVAAREORR-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP CCOc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1OCC ZINC001138975514 1091403825 /nfs/dbraw/zinc/40/38/25/1091403825.db2.gz JZWAVLVAAREORR-UHFFFAOYSA-N 2 2 317.433 3.203 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912387 1091406984 /nfs/dbraw/zinc/40/69/84/1091406984.db2.gz ACJDRBMNHGLVDK-QWRGUYRKSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912387 1091406992 /nfs/dbraw/zinc/40/69/92/1091406992.db2.gz ACJDRBMNHGLVDK-QWRGUYRKSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912385 1091408048 /nfs/dbraw/zinc/40/80/48/1091408048.db2.gz ACJDRBMNHGLVDK-GHMZBOCLSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(Br)sc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912385 1091408054 /nfs/dbraw/zinc/40/80/54/1091408054.db2.gz ACJDRBMNHGLVDK-GHMZBOCLSA-N 2 2 317.296 3.378 20 0 DGADLP c1cn(Cc2ccc(-c3cccc(N4CC[NH2+]CC4)c3)cc2)c[nH+]1 ZINC001205916366 1091411216 /nfs/dbraw/zinc/41/12/16/1091411216.db2.gz XPLJPWHVSVJOQT-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP Cc1sc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916132 1091412085 /nfs/dbraw/zinc/41/20/85/1091412085.db2.gz RZMSLSQFDPYQEW-GXSJLCMTSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1sc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916132 1091412093 /nfs/dbraw/zinc/41/20/93/1091412093.db2.gz RZMSLSQFDPYQEW-GXSJLCMTSA-N 2 2 317.296 3.378 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cn1 ZINC001139016851 1091419100 /nfs/dbraw/zinc/41/91/00/1091419100.db2.gz ZVBLYHTWKUXXQS-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cn1 ZINC001139016851 1091419107 /nfs/dbraw/zinc/41/91/07/1091419107.db2.gz ZVBLYHTWKUXXQS-UHFFFAOYSA-N 2 2 303.372 3.264 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931956 1091420814 /nfs/dbraw/zinc/42/08/14/1091420814.db2.gz MUEAKZSXSYRFLJ-HNNXBMFYSA-N 2 2 301.459 3.432 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931956 1091420819 /nfs/dbraw/zinc/42/08/19/1091420819.db2.gz MUEAKZSXSYRFLJ-HNNXBMFYSA-N 2 2 301.459 3.432 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)c2c1 ZINC001205937566 1091422347 /nfs/dbraw/zinc/42/23/47/1091422347.db2.gz AAPINCPPCLRDLL-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)c2c1 ZINC001205937566 1091422352 /nfs/dbraw/zinc/42/23/52/1091422352.db2.gz AAPINCPPCLRDLL-OAHLLOKOSA-N 2 2 314.429 3.170 20 0 DGADLP C[C@@H]1C[N@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206036649 1091463623 /nfs/dbraw/zinc/46/36/23/1091463623.db2.gz NFBXRAMHVWUYNW-ZJUUUORDSA-N 2 2 318.795 3.131 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2cc(O)c(Cl)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206036649 1091463627 /nfs/dbraw/zinc/46/36/27/1091463627.db2.gz NFBXRAMHVWUYNW-ZJUUUORDSA-N 2 2 318.795 3.131 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)s2)cc1 ZINC001206058794 1091474608 /nfs/dbraw/zinc/47/46/08/1091474608.db2.gz QHOPWCYRXQLTGN-MLGOLLRUSA-N 2 2 302.443 3.203 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)s2)cc1 ZINC001206058794 1091474613 /nfs/dbraw/zinc/47/46/13/1091474613.db2.gz QHOPWCYRXQLTGN-MLGOLLRUSA-N 2 2 302.443 3.203 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@H]1F ZINC001206163655 1091516426 /nfs/dbraw/zinc/51/64/26/1091516426.db2.gz DMKZCYVPBYJCCV-YPMHNXCESA-N 2 2 308.294 3.106 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC[C@H]1F ZINC001206163655 1091516430 /nfs/dbraw/zinc/51/64/30/1091516430.db2.gz DMKZCYVPBYJCCV-YPMHNXCESA-N 2 2 308.294 3.106 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206175513 1091522225 /nfs/dbraw/zinc/52/22/25/1091522225.db2.gz VUIFFQWWYLMPNN-QWHCGFSZSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206175513 1091522234 /nfs/dbraw/zinc/52/22/34/1091522234.db2.gz VUIFFQWWYLMPNN-QWHCGFSZSA-N 2 2 315.230 3.019 20 0 DGADLP O=C1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCC[C@H]12 ZINC001139358377 1091533324 /nfs/dbraw/zinc/53/33/24/1091533324.db2.gz QHYZJQWVXWYXNG-ZWKOTPCHSA-N 2 2 309.413 3.206 20 0 DGADLP O=C1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCCC[C@H]12 ZINC001139358377 1091533331 /nfs/dbraw/zinc/53/33/31/1091533331.db2.gz QHYZJQWVXWYXNG-ZWKOTPCHSA-N 2 2 309.413 3.206 20 0 DGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139502163 1091577600 /nfs/dbraw/zinc/57/76/00/1091577600.db2.gz KZGZGMOZNXRUTP-CALCHBBNSA-N 2 2 313.470 3.194 20 0 DGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139502163 1091577609 /nfs/dbraw/zinc/57/76/09/1091577609.db2.gz KZGZGMOZNXRUTP-CALCHBBNSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139502163 1091577618 /nfs/dbraw/zinc/57/76/18/1091577618.db2.gz KZGZGMOZNXRUTP-CALCHBBNSA-N 2 2 313.470 3.194 20 0 DGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccsc4)nc3)C[C@@H]2C1 ZINC001139502163 1091577625 /nfs/dbraw/zinc/57/76/25/1091577625.db2.gz KZGZGMOZNXRUTP-CALCHBBNSA-N 2 2 313.470 3.194 20 0 DGADLP CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1CC ZINC001139625262 1091626500 /nfs/dbraw/zinc/62/65/00/1091626500.db2.gz DVMMXHMVAWRVJV-IEBWSBKVSA-N 2 2 302.462 3.031 20 0 DGADLP CCOc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1CC ZINC001139625262 1091626506 /nfs/dbraw/zinc/62/65/06/1091626506.db2.gz DVMMXHMVAWRVJV-IEBWSBKVSA-N 2 2 302.462 3.031 20 0 DGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1c[nH+]cc2cc[nH]c21 ZINC001206521067 1091659262 /nfs/dbraw/zinc/65/92/62/1091659262.db2.gz VTMZFJQISMJHAF-UHFFFAOYSA-N 2 2 323.396 3.071 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001206549476 1091665486 /nfs/dbraw/zinc/66/54/86/1091665486.db2.gz NYWDXUXMSFYNQQ-MRXNPFEDSA-N 2 2 306.841 3.167 20 0 DGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001206549476 1091665488 /nfs/dbraw/zinc/66/54/88/1091665488.db2.gz NYWDXUXMSFYNQQ-MRXNPFEDSA-N 2 2 306.841 3.167 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001206556665 1091668718 /nfs/dbraw/zinc/66/87/18/1091668718.db2.gz UZJIGEQHEYVEAG-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001206556665 1091668723 /nfs/dbraw/zinc/66/87/23/1091668723.db2.gz UZJIGEQHEYVEAG-AWEZNQCLSA-N 2 2 301.356 3.051 20 0 DGADLP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001206616895 1091692076 /nfs/dbraw/zinc/69/20/76/1091692076.db2.gz SZKGHJYWXLFTKO-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001206616895 1091692081 /nfs/dbraw/zinc/69/20/81/1091692081.db2.gz SZKGHJYWXLFTKO-LLVKDONJSA-N 2 2 300.805 3.049 20 0 DGADLP CCOc1c(F)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206767748 1091730352 /nfs/dbraw/zinc/73/03/52/1091730352.db2.gz DYGDCRJCIHVOCX-RYUDHWBXSA-N 2 2 314.832 3.437 20 0 DGADLP CCOc1c(F)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Cl ZINC001206767748 1091730356 /nfs/dbraw/zinc/73/03/56/1091730356.db2.gz DYGDCRJCIHVOCX-RYUDHWBXSA-N 2 2 314.832 3.437 20 0 DGADLP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001085279783 1091732198 /nfs/dbraw/zinc/73/21/98/1091732198.db2.gz DLEAVIGWTNRRIJ-HZPDHXFCSA-N 2 2 303.450 3.047 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(n2cccn2)CC1 ZINC001140025847 1091742512 /nfs/dbraw/zinc/74/25/12/1091742512.db2.gz DHMMGPKWPWQJKE-UHFFFAOYSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001140028397 1091743780 /nfs/dbraw/zinc/74/37/80/1091743780.db2.gz UZVABRIVBRZDCC-INIZCTEOSA-N 2 2 303.356 3.412 20 0 DGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001140028397 1091743787 /nfs/dbraw/zinc/74/37/87/1091743787.db2.gz UZVABRIVBRZDCC-INIZCTEOSA-N 2 2 303.356 3.412 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140236963 1091805623 /nfs/dbraw/zinc/80/56/23/1091805623.db2.gz PMUAHGNAAPTKJJ-OAHLLOKOSA-N 2 2 323.396 3.230 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140236963 1091805632 /nfs/dbraw/zinc/80/56/32/1091805632.db2.gz PMUAHGNAAPTKJJ-OAHLLOKOSA-N 2 2 323.396 3.230 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH+]cc2ccccn21 ZINC001207052431 1091830129 /nfs/dbraw/zinc/83/01/29/1091830129.db2.gz BRELLYXDXOYGLX-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH+]cc2ccccn21 ZINC001207052431 1091830138 /nfs/dbraw/zinc/83/01/38/1091830138.db2.gz BRELLYXDXOYGLX-KRWDZBQOSA-N 2 2 320.440 3.041 20 0 DGADLP c1[nH]nc2ccc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)cc12 ZINC001140383854 1091846452 /nfs/dbraw/zinc/84/64/52/1091846452.db2.gz AMAGPLRPJZDTFK-UHFFFAOYSA-N 2 2 308.385 3.001 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001207372646 1091942343 /nfs/dbraw/zinc/94/23/43/1091942343.db2.gz URDUXCPVLUVKBV-HZPDHXFCSA-N 2 2 304.434 3.048 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001207372646 1091942348 /nfs/dbraw/zinc/94/23/48/1091942348.db2.gz URDUXCPVLUVKBV-HZPDHXFCSA-N 2 2 304.434 3.048 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001207372647 1091942407 /nfs/dbraw/zinc/94/24/07/1091942407.db2.gz URDUXCPVLUVKBV-JKSUJKDBSA-N 2 2 304.434 3.048 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001207372647 1091942412 /nfs/dbraw/zinc/94/24/12/1091942412.db2.gz URDUXCPVLUVKBV-JKSUJKDBSA-N 2 2 304.434 3.048 20 0 DGADLP CCn1ccnc1C[NH+]1CC2(C1)CC[NH+](CCCC(C)C)CC2 ZINC001276530580 1091957530 /nfs/dbraw/zinc/95/75/30/1091957530.db2.gz XELNYGUYRLLQQZ-UHFFFAOYSA-N 2 2 318.509 3.237 20 0 DGADLP Fc1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001207510532 1091999346 /nfs/dbraw/zinc/99/93/46/1091999346.db2.gz DGFNQNWRLVYEOS-UHFFFAOYSA-N 2 2 300.377 3.307 20 0 DGADLP Cc1ccc(C2(O)CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140799973 1092005410 /nfs/dbraw/zinc/00/54/10/1092005410.db2.gz QYOVCORZURMMJN-UHFFFAOYSA-N 2 2 321.424 3.355 20 0 DGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803571 1092009442 /nfs/dbraw/zinc/00/94/42/1092009442.db2.gz RTWRESOPWSBIJY-CYBMUJFWSA-N 2 2 315.417 3.117 20 0 DGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803571 1092009450 /nfs/dbraw/zinc/00/94/50/1092009450.db2.gz RTWRESOPWSBIJY-CYBMUJFWSA-N 2 2 315.417 3.117 20 0 DGADLP COCC[N@H+](CCCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207589088 1092032375 /nfs/dbraw/zinc/03/23/75/1092032375.db2.gz DEHGUKMHJOBBQW-UHFFFAOYSA-N 2 2 324.896 3.315 20 0 DGADLP COCC[N@@H+](CCCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207589088 1092032383 /nfs/dbraw/zinc/03/23/83/1092032383.db2.gz DEHGUKMHJOBBQW-UHFFFAOYSA-N 2 2 324.896 3.315 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001207623209 1092047541 /nfs/dbraw/zinc/04/75/41/1092047541.db2.gz SNWNNKCWTTVQEQ-WNRNVDISSA-N 2 2 309.542 3.205 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001207623209 1092047547 /nfs/dbraw/zinc/04/75/47/1092047547.db2.gz SNWNNKCWTTVQEQ-WNRNVDISSA-N 2 2 309.542 3.205 20 0 DGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)c(O)c(F)c2)CC1 ZINC001140994735 1092098459 /nfs/dbraw/zinc/09/84/59/1092098459.db2.gz ZMANXWXASUEUAE-UHFFFAOYSA-N 2 2 312.404 3.367 20 0 DGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(O)c(F)c2)CC1 ZINC001140994735 1092098467 /nfs/dbraw/zinc/09/84/67/1092098467.db2.gz ZMANXWXASUEUAE-UHFFFAOYSA-N 2 2 312.404 3.367 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC001207822953 1092109115 /nfs/dbraw/zinc/10/91/15/1092109115.db2.gz GNNXIZUKMDLUIO-UHFFFAOYSA-N 2 2 310.445 3.158 20 0 DGADLP Cc1ccncc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141048415 1092120832 /nfs/dbraw/zinc/12/08/32/1092120832.db2.gz NNAQBWOAEXXBLP-PZJWPPBQSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141048415 1092120837 /nfs/dbraw/zinc/12/08/37/1092120837.db2.gz NNAQBWOAEXXBLP-PZJWPPBQSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001141048415 1092120843 /nfs/dbraw/zinc/12/08/43/1092120843.db2.gz NNAQBWOAEXXBLP-PZJWPPBQSA-N 2 2 321.468 3.344 20 0 DGADLP Cc1ccncc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001141048415 1092120848 /nfs/dbraw/zinc/12/08/48/1092120848.db2.gz NNAQBWOAEXXBLP-PZJWPPBQSA-N 2 2 321.468 3.344 20 0 DGADLP CCCCc1[nH]c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c[nH+]1 ZINC001141075041 1092129780 /nfs/dbraw/zinc/12/97/80/1092129780.db2.gz XAIGDSWQPGLEHO-IRXDYDNUSA-N 2 2 322.472 3.151 20 0 DGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962705 1092160117 /nfs/dbraw/zinc/16/01/17/1092160117.db2.gz VMIJHYDJTNVBGP-LJQANCHMSA-N 2 2 320.452 3.291 20 0 DGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207962705 1092160119 /nfs/dbraw/zinc/16/01/19/1092160119.db2.gz VMIJHYDJTNVBGP-LJQANCHMSA-N 2 2 320.452 3.291 20 0 DGADLP CC1(C)CCc2cc(C[NH+]3CCC([NH+]4CCC4)CC3)ccc2O1 ZINC001141185186 1092166463 /nfs/dbraw/zinc/16/64/63/1092166463.db2.gz FDHMIATYEQRCME-UHFFFAOYSA-N 2 2 314.473 3.460 20 0 DGADLP c1cn(-c2cccc(C[N@H+](C3CCC3)C3CCOCC3)c2)c[nH+]1 ZINC001141245990 1092192077 /nfs/dbraw/zinc/19/20/77/1092192077.db2.gz UEFYLYLHYOWQJL-UHFFFAOYSA-N 2 2 311.429 3.406 20 0 DGADLP c1cn(-c2cccc(C[N@@H+](C3CCC3)C3CCOCC3)c2)c[nH+]1 ZINC001141245990 1092192081 /nfs/dbraw/zinc/19/20/81/1092192081.db2.gz UEFYLYLHYOWQJL-UHFFFAOYSA-N 2 2 311.429 3.406 20 0 DGADLP C[NH+]1CCC(C)(C[N@@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208111770 1092200699 /nfs/dbraw/zinc/20/06/99/1092200699.db2.gz ONXIEDZHPWOIFB-CYBMUJFWSA-N 2 2 316.371 3.075 20 0 DGADLP C[NH+]1CCC(C)(C[N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001208111770 1092200706 /nfs/dbraw/zinc/20/07/06/1092200706.db2.gz ONXIEDZHPWOIFB-CYBMUJFWSA-N 2 2 316.371 3.075 20 0 DGADLP CC1=C[C@H](C)[C@H](C[NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001208182684 1092249487 /nfs/dbraw/zinc/24/94/87/1092249487.db2.gz VCXVSBDMBIZGSJ-OALUTQOASA-N 3 2 309.542 3.184 20 0 DGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc4cccnc4cc3F)C[C@H]2C1 ZINC001141634885 1092301153 /nfs/dbraw/zinc/30/11/53/1092301153.db2.gz VIFLYGFDFPUQQC-IAGOWNOFSA-N 2 2 313.420 3.148 20 0 DGADLP c1cc2c(c(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c1)OCO2 ZINC001141956559 1092367669 /nfs/dbraw/zinc/36/76/69/1092367669.db2.gz NCSHXOFGWDNENY-KRWDZBQOSA-N 2 2 316.445 3.256 20 0 DGADLP c1cc2c(c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c1)OCO2 ZINC001141956559 1092367686 /nfs/dbraw/zinc/36/76/86/1092367686.db2.gz NCSHXOFGWDNENY-KRWDZBQOSA-N 2 2 316.445 3.256 20 0 DGADLP Cc1[nH+]cc2n1CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001208586115 1092411800 /nfs/dbraw/zinc/41/18/00/1092411800.db2.gz QKXMIKQHKYVRJM-LJQANCHMSA-N 2 2 324.472 3.062 20 0 DGADLP Cc1[nH+]cc2n1CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001208586115 1092411808 /nfs/dbraw/zinc/41/18/08/1092411808.db2.gz QKXMIKQHKYVRJM-LJQANCHMSA-N 2 2 324.472 3.062 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208604793 1092423673 /nfs/dbraw/zinc/42/36/73/1092423673.db2.gz VQRPMORXENGBSF-MRXNPFEDSA-N 2 2 321.896 3.112 20 0 DGADLP Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208604793 1092423676 /nfs/dbraw/zinc/42/36/76/1092423676.db2.gz VQRPMORXENGBSF-MRXNPFEDSA-N 2 2 321.896 3.112 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607604 1092426038 /nfs/dbraw/zinc/42/60/38/1092426038.db2.gz LXFGOMNFRWIMLJ-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607604 1092426041 /nfs/dbraw/zinc/42/60/41/1092426041.db2.gz LXFGOMNFRWIMLJ-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607604 1092426047 /nfs/dbraw/zinc/42/60/47/1092426047.db2.gz LXFGOMNFRWIMLJ-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccccc2)Cc2ccccn2)C1 ZINC001208607604 1092426056 /nfs/dbraw/zinc/42/60/56/1092426056.db2.gz LXFGOMNFRWIMLJ-LJQANCHMSA-N 2 2 309.457 3.426 20 0 DGADLP CCCC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648239 1092440653 /nfs/dbraw/zinc/44/06/53/1092440653.db2.gz GXJWLLLPDSAIRS-INIZCTEOSA-N 2 2 303.450 3.001 20 0 DGADLP C[N@@H+]1CCCC2(CC[NH+](Cc3nc(Cl)ccc3F)CC2)C1 ZINC001276577672 1092449870 /nfs/dbraw/zinc/44/98/70/1092449870.db2.gz CCSDIFAIZWQFON-UHFFFAOYSA-N 2 2 311.832 3.182 20 0 DGADLP C[N@H+]1CCCC2(CC[NH+](Cc3nc(Cl)ccc3F)CC2)C1 ZINC001276577672 1092449877 /nfs/dbraw/zinc/44/98/77/1092449877.db2.gz CCSDIFAIZWQFON-UHFFFAOYSA-N 2 2 311.832 3.182 20 0 DGADLP Cc1ccsc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204019502 1092488487 /nfs/dbraw/zinc/48/84/87/1092488487.db2.gz GTULRRYXXWIYKN-HZPDHXFCSA-N 2 2 313.470 3.015 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1F)C2 ZINC001169100333 1092530571 /nfs/dbraw/zinc/53/05/71/1092530571.db2.gz JHLLUSVKHYKLRM-CNDDSTCGSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1F)C2 ZINC001169100333 1092530584 /nfs/dbraw/zinc/53/05/84/1092530584.db2.gz JHLLUSVKHYKLRM-CNDDSTCGSA-N 2 2 300.780 3.333 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001169078398 1092533214 /nfs/dbraw/zinc/53/32/14/1092533214.db2.gz DYWYRIQFHVDUJL-ZSOGYDGISA-N 2 2 314.351 3.300 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC001169078398 1092533227 /nfs/dbraw/zinc/53/32/27/1092533227.db2.gz DYWYRIQFHVDUJL-ZSOGYDGISA-N 2 2 314.351 3.300 20 0 DGADLP COc1ccccc1CCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001208842921 1092539238 /nfs/dbraw/zinc/53/92/38/1092539238.db2.gz ZISMVOGHODVQFO-UHFFFAOYSA-N 2 2 304.478 3.432 20 0 DGADLP COc1ccccc1CCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001208842921 1092539246 /nfs/dbraw/zinc/53/92/46/1092539246.db2.gz ZISMVOGHODVQFO-UHFFFAOYSA-N 2 2 304.478 3.432 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123135 1092545472 /nfs/dbraw/zinc/54/54/72/1092545472.db2.gz JEYOZYOIWHJSML-HLPPOEQASA-N 2 2 306.837 3.378 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOc3ccc(Cl)cc31)C2 ZINC001169123135 1092545479 /nfs/dbraw/zinc/54/54/79/1092545479.db2.gz JEYOZYOIWHJSML-HLPPOEQASA-N 2 2 306.837 3.378 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848792 1092566154 /nfs/dbraw/zinc/56/61/54/1092566154.db2.gz CLBHGFQTNWNNQB-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848792 1092566165 /nfs/dbraw/zinc/56/61/65/1092566165.db2.gz CLBHGFQTNWNNQB-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848792 1092566176 /nfs/dbraw/zinc/56/61/76/1092566176.db2.gz CLBHGFQTNWNNQB-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]21 ZINC001142848792 1092566193 /nfs/dbraw/zinc/56/61/93/1092566193.db2.gz CLBHGFQTNWNNQB-UYAOXDASSA-N 2 2 307.441 3.275 20 0 DGADLP C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153382 1092566602 /nfs/dbraw/zinc/56/66/02/1092566602.db2.gz IKEQBCHPRZWCKH-UKNAQKAOSA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153382 1092566610 /nfs/dbraw/zinc/56/66/10/1092566610.db2.gz IKEQBCHPRZWCKH-UKNAQKAOSA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153382 1092566616 /nfs/dbraw/zinc/56/66/16/1092566616.db2.gz IKEQBCHPRZWCKH-UKNAQKAOSA-N 2 2 300.446 3.074 20 0 DGADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](c2ccccc2)CO1 ZINC001169153382 1092566622 /nfs/dbraw/zinc/56/66/22/1092566622.db2.gz IKEQBCHPRZWCKH-UKNAQKAOSA-N 2 2 300.446 3.074 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(-n3ncc4c3cccc4C[NH3+])cc21 ZINC001169191565 1092581076 /nfs/dbraw/zinc/58/10/76/1092581076.db2.gz DTKVNNJTGWAARB-UHFFFAOYSA-N 2 2 318.424 3.485 20 0 DGADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccn2cc[nH+]c2c1 ZINC001169173446 1092585077 /nfs/dbraw/zinc/58/50/77/1092585077.db2.gz IWPIUJQVEGKBER-UHFFFAOYSA-N 2 2 320.396 3.096 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC001208929473 1092591601 /nfs/dbraw/zinc/59/16/01/1092591601.db2.gz STNOTZZZLFRDNX-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC001208929473 1092591608 /nfs/dbraw/zinc/59/16/08/1092591608.db2.gz STNOTZZZLFRDNX-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCc4cnccc4C3)C2)cc1 ZINC001208933473 1092596262 /nfs/dbraw/zinc/59/62/62/1092596262.db2.gz VVURDTNKLBLZFV-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCc4cnccc4C3)C2)cc1 ZINC001208933473 1092596272 /nfs/dbraw/zinc/59/62/72/1092596272.db2.gz VVURDTNKLBLZFV-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCc4cnccc4C3)C2)cc1 ZINC001208933473 1092596278 /nfs/dbraw/zinc/59/62/78/1092596278.db2.gz VVURDTNKLBLZFV-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCc4cnccc4C3)C2)cc1 ZINC001208933473 1092596287 /nfs/dbraw/zinc/59/62/87/1092596287.db2.gz VVURDTNKLBLZFV-IBGZPJMESA-N 2 2 321.468 3.352 20 0 DGADLP F[C@H]1CSC2(C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953004 1092607617 /nfs/dbraw/zinc/60/76/17/1092607617.db2.gz NXVLPJMWCVHPIL-IAGOWNOFSA-N 2 2 320.477 3.038 20 0 DGADLP F[C@H]1CSC2(C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208953004 1092607623 /nfs/dbraw/zinc/60/76/23/1092607623.db2.gz NXVLPJMWCVHPIL-IAGOWNOFSA-N 2 2 320.477 3.038 20 0 DGADLP CC[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001169240960 1092612072 /nfs/dbraw/zinc/61/20/72/1092612072.db2.gz NUIMPUYCDSDPEG-UHFFFAOYSA-N 2 2 322.880 3.420 20 0 DGADLP CC[NH+](CC)CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169268126 1092632049 /nfs/dbraw/zinc/63/20/49/1092632049.db2.gz HATFVZUJWCBLJM-UHFFFAOYSA-N 2 2 318.461 3.086 20 0 DGADLP COC(=O)CCCCCCCCC[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001209094675 1092649920 /nfs/dbraw/zinc/64/99/20/1092649920.db2.gz WVWLJTQJCXPCLB-UHFFFAOYSA-N 2 2 321.465 3.301 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263033 1092718175 /nfs/dbraw/zinc/71/81/75/1092718175.db2.gz KJEDOZRZMWPCNQ-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263033 1092718181 /nfs/dbraw/zinc/71/81/81/1092718181.db2.gz KJEDOZRZMWPCNQ-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263033 1092718188 /nfs/dbraw/zinc/71/81/88/1092718188.db2.gz KJEDOZRZMWPCNQ-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCOCc3ccccc3)C[C@@H]21 ZINC001209263033 1092718197 /nfs/dbraw/zinc/71/81/97/1092718197.db2.gz KJEDOZRZMWPCNQ-MOPGFXCFSA-N 2 2 302.462 3.009 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)C1 ZINC001206631876 1092727504 /nfs/dbraw/zinc/72/75/04/1092727504.db2.gz BUQRFPVTRHPNBH-JTQLQIEISA-N 2 2 321.774 3.315 20 0 DGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)C1 ZINC001206631876 1092727512 /nfs/dbraw/zinc/72/75/12/1092727512.db2.gz BUQRFPVTRHPNBH-JTQLQIEISA-N 2 2 321.774 3.315 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC001209400820 1092757823 /nfs/dbraw/zinc/75/78/23/1092757823.db2.gz CHKBHLSQHDSNJC-BFYDXBDKSA-N 2 2 304.434 3.047 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC001209400820 1092757828 /nfs/dbraw/zinc/75/78/28/1092757828.db2.gz CHKBHLSQHDSNJC-BFYDXBDKSA-N 2 2 304.434 3.047 20 0 DGADLP COc1c(F)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206633136 1092766547 /nfs/dbraw/zinc/76/65/47/1092766547.db2.gz UODSGCPTTSQLJY-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP COc1c(F)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Cl ZINC001206633136 1092766554 /nfs/dbraw/zinc/76/65/54/1092766554.db2.gz UODSGCPTTSQLJY-NSHDSACASA-N 2 2 300.805 3.049 20 0 DGADLP c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551464 1092820266 /nfs/dbraw/zinc/82/02/66/1092820266.db2.gz XMFBVGBNMOLWMP-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551464 1092820269 /nfs/dbraw/zinc/82/02/69/1092820269.db2.gz XMFBVGBNMOLWMP-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551464 1092820275 /nfs/dbraw/zinc/82/02/75/1092820275.db2.gz XMFBVGBNMOLWMP-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP c1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001209551464 1092820281 /nfs/dbraw/zinc/82/02/81/1092820281.db2.gz XMFBVGBNMOLWMP-IRXDYDNUSA-N 2 2 313.470 3.097 20 0 DGADLP Cc1[nH]c2ncccc2c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209595362 1092840771 /nfs/dbraw/zinc/84/07/71/1092840771.db2.gz MUAMXPRKOOXJLV-HNNXBMFYSA-N 2 2 322.412 3.228 20 0 DGADLP Cc1[nH]c2ncccc2c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209595362 1092840783 /nfs/dbraw/zinc/84/07/83/1092840783.db2.gz MUAMXPRKOOXJLV-HNNXBMFYSA-N 2 2 322.412 3.228 20 0 DGADLP CC[N@H+](Cc1c[nH]c2ncc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001209596833 1092841326 /nfs/dbraw/zinc/84/13/26/1092841326.db2.gz HCYJQCAUPUMIIL-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2ncc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001209596833 1092841329 /nfs/dbraw/zinc/84/13/29/1092841329.db2.gz HCYJQCAUPUMIIL-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc4cc(Cl)ccc4[nH]3)C[C@@H]2C1 ZINC001209727972 1092895937 /nfs/dbraw/zinc/89/59/37/1092895937.db2.gz PBIQPYJVJHHWJG-KBPBESRZSA-N 2 2 303.837 3.205 20 0 DGADLP Nc1cc[nH+]cc1C[NH+]1CCC(Oc2cccc(Cl)c2)CC1 ZINC001209735215 1092896746 /nfs/dbraw/zinc/89/67/46/1092896746.db2.gz XJYRWOAUSPSLMP-UHFFFAOYSA-N 2 2 317.820 3.191 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)Cc1c[nH+]ccc1N ZINC001209737309 1092897030 /nfs/dbraw/zinc/89/70/30/1092897030.db2.gz KCBDEKXANAIIAJ-UHFFFAOYSA-N 2 2 320.234 3.279 20 0 DGADLP Cn1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c2cccnc21 ZINC001209742788 1092899443 /nfs/dbraw/zinc/89/94/43/1092899443.db2.gz SCDJTYWOKNULIS-UHFFFAOYSA-N 2 2 322.412 3.012 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001209767239 1092912279 /nfs/dbraw/zinc/91/22/79/1092912279.db2.gz RGTLBOROXUKEJE-UHFFFAOYSA-N 2 2 312.461 3.381 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001209767239 1092912287 /nfs/dbraw/zinc/91/22/87/1092912287.db2.gz RGTLBOROXUKEJE-UHFFFAOYSA-N 2 2 312.461 3.381 20 0 DGADLP CN(C)c1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209773236 1092913631 /nfs/dbraw/zinc/91/36/31/1092913631.db2.gz PZJOGMBZCIXICA-UHFFFAOYSA-N 2 2 311.429 3.191 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(Cc3c[nH]c(C)[nH+]3)[C@@H]2C1 ZINC001276682193 1093127132 /nfs/dbraw/zinc/12/71/32/1093127132.db2.gz GCYHUWRFOLJVGS-ZIFCJYIRSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(Cc3c[nH]c(C)[nH+]3)[C@@H]2C1 ZINC001276682193 1093127136 /nfs/dbraw/zinc/12/71/36/1093127136.db2.gz GCYHUWRFOLJVGS-ZIFCJYIRSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(Cc3c[nH+]c(C)[nH]3)[C@@H]2C1 ZINC001276682193 1093127144 /nfs/dbraw/zinc/12/71/44/1093127144.db2.gz GCYHUWRFOLJVGS-ZIFCJYIRSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(Cc3c[nH+]c(C)[nH]3)[C@@H]2C1 ZINC001276682193 1093127146 /nfs/dbraw/zinc/12/71/46/1093127146.db2.gz GCYHUWRFOLJVGS-ZIFCJYIRSA-N 2 2 318.509 3.441 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH+]c(C)[nH]1 ZINC001276682389 1093129192 /nfs/dbraw/zinc/12/91/92/1093129192.db2.gz LAUYWKZWELLXHF-NXHRZFHOSA-N 2 2 304.482 3.193 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH+]c(C)[nH]1 ZINC001276682389 1093129195 /nfs/dbraw/zinc/12/91/95/1093129195.db2.gz LAUYWKZWELLXHF-NXHRZFHOSA-N 2 2 304.482 3.193 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH]c(C)[nH+]1 ZINC001276682389 1093129201 /nfs/dbraw/zinc/12/92/01/1093129201.db2.gz LAUYWKZWELLXHF-NXHRZFHOSA-N 2 2 304.482 3.193 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c[nH]c(C)[nH+]1 ZINC001276682389 1093129205 /nfs/dbraw/zinc/12/92/05/1093129205.db2.gz LAUYWKZWELLXHF-NXHRZFHOSA-N 2 2 304.482 3.193 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(Cc3c[nH+]c(C)[nH]3)C2)C1 ZINC001276682621 1093132871 /nfs/dbraw/zinc/13/28/71/1093132871.db2.gz SVBBMEZHQQFEPD-QGZVFWFLSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(Cc3c[nH+]c(C)[nH]3)C2)C1 ZINC001276682621 1093132876 /nfs/dbraw/zinc/13/28/76/1093132876.db2.gz SVBBMEZHQQFEPD-QGZVFWFLSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(Cc3c[nH]c(C)[nH+]3)C2)C1 ZINC001276682621 1093132880 /nfs/dbraw/zinc/13/28/80/1093132880.db2.gz SVBBMEZHQQFEPD-QGZVFWFLSA-N 2 2 318.509 3.442 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(Cc3c[nH]c(C)[nH+]3)C2)C1 ZINC001276682621 1093132883 /nfs/dbraw/zinc/13/28/83/1093132883.db2.gz SVBBMEZHQQFEPD-QGZVFWFLSA-N 2 2 318.509 3.442 20 0 DGADLP COc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c2c(OC)cccc12 ZINC001210474596 1093180590 /nfs/dbraw/zinc/18/05/90/1093180590.db2.gz GWPICEOVZGXAAX-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP COc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c2c(OC)cccc12 ZINC001210474596 1093180591 /nfs/dbraw/zinc/18/05/91/1093180591.db2.gz GWPICEOVZGXAAX-CQSZACIVSA-N 2 2 314.429 3.041 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210496074 1093187494 /nfs/dbraw/zinc/18/74/94/1093187494.db2.gz CMSKQUPJQFEXAH-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210496074 1093187499 /nfs/dbraw/zinc/18/74/99/1093187499.db2.gz CMSKQUPJQFEXAH-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc(OC(F)(F)F)c1 ZINC001210499205 1093188947 /nfs/dbraw/zinc/18/89/47/1093188947.db2.gz SYNJSLYNKLHPBQ-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP Cc1cc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc(OC(F)(F)F)c1 ZINC001210499205 1093188952 /nfs/dbraw/zinc/18/89/52/1093188952.db2.gz SYNJSLYNKLHPBQ-GFCCVEGCSA-N 2 2 302.340 3.077 20 0 DGADLP COc1ccc2[nH+]ccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)c2n1 ZINC001210705143 1093253129 /nfs/dbraw/zinc/25/31/29/1093253129.db2.gz AVKMOSXDZJNOCS-OAHLLOKOSA-N 2 2 324.428 3.004 20 0 DGADLP CC[N@H+](C)c1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001210758376 1093273938 /nfs/dbraw/zinc/27/39/38/1093273938.db2.gz MOVLWIFEECBFBV-UHFFFAOYSA-N 2 2 313.449 3.350 20 0 DGADLP CC[N@@H+](C)c1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001210758376 1093273947 /nfs/dbraw/zinc/27/39/47/1093273947.db2.gz MOVLWIFEECBFBV-UHFFFAOYSA-N 2 2 313.449 3.350 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406331 1093433977 /nfs/dbraw/zinc/43/39/77/1093433977.db2.gz SIBPDUAWIFEXHO-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167406331 1093433981 /nfs/dbraw/zinc/43/39/81/1093433981.db2.gz SIBPDUAWIFEXHO-QWRGUYRKSA-N 2 2 304.331 3.404 20 0 DGADLP Cc1[nH]c2ccc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc2[nH+]1 ZINC001213073734 1093510355 /nfs/dbraw/zinc/51/03/55/1093510355.db2.gz VIGYSDQPNILHBC-UHFFFAOYSA-N 2 2 322.412 3.447 20 0 DGADLP C[NH+]1CCC(n2cc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cn2)CC1 ZINC001213087006 1093513567 /nfs/dbraw/zinc/51/35/67/1093513567.db2.gz GVJYASODYYSJLO-UHFFFAOYSA-N 2 2 322.416 3.284 20 0 DGADLP c1cn(CCN2CCC23C[NH+](CCCC2CCCCC2)C3)c[nH+]1 ZINC001276745996 1094247167 /nfs/dbraw/zinc/24/71/67/1094247167.db2.gz FTOAWVFKENANAK-UHFFFAOYSA-N 2 2 316.493 3.004 20 0 DGADLP CCc1onc(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001119854369 1094299160 /nfs/dbraw/zinc/29/91/60/1094299160.db2.gz AFGIQHJKDRRTIG-UHFFFAOYSA-N 2 2 315.417 3.292 20 0 DGADLP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043617 1094373608 /nfs/dbraw/zinc/37/36/08/1094373608.db2.gz KLUGUPWFUDCIEP-HIFRSBDPSA-N 2 2 305.466 3.293 20 0 DGADLP C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001336708155 1094705638 /nfs/dbraw/zinc/70/56/38/1094705638.db2.gz YOFUSYYSXUOOMC-UKRRQHHQSA-N 2 2 320.234 3.135 20 0 DGADLP CC[NH+](CC)CC[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1 ZINC001336805730 1094745127 /nfs/dbraw/zinc/74/51/27/1094745127.db2.gz XQJCIQYRYVCCIP-NVXWUHKLSA-N 2 2 314.420 3.065 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001170911215 1094912817 /nfs/dbraw/zinc/91/28/17/1094912817.db2.gz VTPDTFJEGBSPPA-CABCVRRESA-N 2 2 304.865 3.414 20 0 DGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001170911215 1094912828 /nfs/dbraw/zinc/91/28/28/1094912828.db2.gz VTPDTFJEGBSPPA-CABCVRRESA-N 2 2 304.865 3.414 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000311009712 1094947168 /nfs/dbraw/zinc/94/71/68/1094947168.db2.gz JSXDIAMKOBNTTJ-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000311009712 1094947179 /nfs/dbraw/zinc/94/71/79/1094947179.db2.gz JSXDIAMKOBNTTJ-LLVKDONJSA-N 2 2 315.230 3.149 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170943714 1094979031 /nfs/dbraw/zinc/97/90/31/1094979031.db2.gz NHKMXIFALDESDT-HNNXBMFYSA-N 2 2 303.837 3.416 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170943714 1094979039 /nfs/dbraw/zinc/97/90/39/1094979039.db2.gz NHKMXIFALDESDT-HNNXBMFYSA-N 2 2 303.837 3.416 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]C(C)(C)c2ccc(Br)cc2)C[NH2+]1 ZINC001246176426 1095078524 /nfs/dbraw/zinc/07/85/24/1095078524.db2.gz QFEKAEPLQCAPSF-FZMZJTMJSA-N 2 2 311.267 3.414 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccsc2Br)CC[NH2+]1 ZINC001246250095 1095140258 /nfs/dbraw/zinc/14/02/58/1095140258.db2.gz OSFQLWKHCUJAJO-RYUDHWBXSA-N 2 2 317.296 3.377 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000316844984 1095196219 /nfs/dbraw/zinc/19/62/19/1095196219.db2.gz IIIRNALTUZBSHO-ZYSHUDEJSA-N 2 2 302.462 3.153 20 0 DGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000316844984 1095196231 /nfs/dbraw/zinc/19/62/31/1095196231.db2.gz IIIRNALTUZBSHO-ZYSHUDEJSA-N 2 2 302.462 3.153 20 0 DGADLP FC(F)COc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001136943718 1095245295 /nfs/dbraw/zinc/24/52/95/1095245295.db2.gz RBHCDDQOGUAPHV-UHFFFAOYSA-N 2 2 310.388 3.001 20 0 DGADLP Cn1c[nH+]c2ccc(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)cc21 ZINC001171092497 1095312654 /nfs/dbraw/zinc/31/26/54/1095312654.db2.gz ADHSKPZWSMZTPP-ZDUSSCGKSA-N 2 2 316.408 3.333 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3C(F)(F)F)C[C@H]2C1 ZINC001143683534 1095344900 /nfs/dbraw/zinc/34/49/00/1095344900.db2.gz KVXHAASSRWVKRY-HUUCEWRRSA-N 2 2 312.379 3.397 20 0 DGADLP Oc1c(F)cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222166644 1095471303 /nfs/dbraw/zinc/47/13/03/1095471303.db2.gz ARKTXEZKSRGISC-GOSISDBHSA-N 2 2 324.415 3.416 20 0 DGADLP Oc1c(F)cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222166644 1095471309 /nfs/dbraw/zinc/47/13/09/1095471309.db2.gz ARKTXEZKSRGISC-GOSISDBHSA-N 2 2 324.415 3.416 20 0 DGADLP CCOc1c(F)cc(C[N@H+](CC)CCC[NH+](C)C)cc1F ZINC001144032173 1095474297 /nfs/dbraw/zinc/47/42/97/1095474297.db2.gz LDHCRMWQIRAUHP-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP CCOc1c(F)cc(C[N@@H+](CC)CCC[NH+](C)C)cc1F ZINC001144032173 1095474302 /nfs/dbraw/zinc/47/43/02/1095474302.db2.gz LDHCRMWQIRAUHP-UHFFFAOYSA-N 2 2 300.393 3.137 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222172706 1095478220 /nfs/dbraw/zinc/47/82/20/1095478220.db2.gz NDUFCHNJEHDXMS-LJQANCHMSA-N 3 2 312.461 3.080 20 0 DGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222172706 1095478224 /nfs/dbraw/zinc/47/82/24/1095478224.db2.gz NDUFCHNJEHDXMS-LJQANCHMSA-N 3 2 312.461 3.080 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222248599 1095511715 /nfs/dbraw/zinc/51/17/15/1095511715.db2.gz LJDCSMCPVWSJHU-LJQANCHMSA-N 2 2 311.429 3.368 20 0 DGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222248599 1095511720 /nfs/dbraw/zinc/51/17/20/1095511720.db2.gz LJDCSMCPVWSJHU-LJQANCHMSA-N 2 2 311.429 3.368 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222277191 1095524901 /nfs/dbraw/zinc/52/49/01/1095524901.db2.gz LGZJILVKOJJCRI-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP Brc1ccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222277191 1095524905 /nfs/dbraw/zinc/52/49/05/1095524905.db2.gz LGZJILVKOJJCRI-MRXNPFEDSA-N 2 2 323.278 3.210 20 0 DGADLP C[C@H](C[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360701 1095573388 /nfs/dbraw/zinc/57/33/88/1095573388.db2.gz SQQHAHBXURZEMN-DYESRHJHSA-N 2 2 324.468 3.398 20 0 DGADLP C[C@H](C[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001222360701 1095573402 /nfs/dbraw/zinc/57/34/02/1095573402.db2.gz SQQHAHBXURZEMN-DYESRHJHSA-N 2 2 324.468 3.398 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390311 1095587701 /nfs/dbraw/zinc/58/77/01/1095587701.db2.gz NBSLKOGEXSKQDP-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390311 1095587711 /nfs/dbraw/zinc/58/77/11/1095587711.db2.gz NBSLKOGEXSKQDP-IBGZPJMESA-N 2 2 302.462 3.420 20 0 DGADLP COc1cc(Cl)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001144490359 1095686480 /nfs/dbraw/zinc/68/64/80/1095686480.db2.gz ZEBZOQCUFRHJSF-UHFFFAOYSA-N 2 2 305.809 3.382 20 0 DGADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222697354 1095725075 /nfs/dbraw/zinc/72/50/75/1095725075.db2.gz ZVMLMKWAOUQYAP-HKUYNNGSSA-N 2 2 322.408 3.149 20 0 DGADLP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222697354 1095725085 /nfs/dbraw/zinc/72/50/85/1095725085.db2.gz ZVMLMKWAOUQYAP-HKUYNNGSSA-N 2 2 322.408 3.149 20 0 DGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001222696696 1095725181 /nfs/dbraw/zinc/72/51/81/1095725181.db2.gz FTQIHTNRRQPOFJ-VDGAXYAQSA-N 2 2 316.489 3.051 20 0 DGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC001222696696 1095725195 /nfs/dbraw/zinc/72/51/95/1095725195.db2.gz FTQIHTNRRQPOFJ-VDGAXYAQSA-N 2 2 316.489 3.051 20 0 DGADLP CCOC(=O)c1ccsc1C[NH2+][C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001276833578 1095729259 /nfs/dbraw/zinc/72/92/59/1095729259.db2.gz PWJOUSZMEMQMIX-SJORKVTESA-N 2 2 322.474 3.079 20 0 DGADLP CC[N@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH+](C)CC1 ZINC001138155613 1095908304 /nfs/dbraw/zinc/90/83/04/1095908304.db2.gz ZVDCJHCDHIQFIQ-UHFFFAOYSA-N 2 2 304.463 3.054 20 0 DGADLP CC[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH+](C)CC1 ZINC001138155613 1095908312 /nfs/dbraw/zinc/90/83/12/1095908312.db2.gz ZVDCJHCDHIQFIQ-UHFFFAOYSA-N 2 2 304.463 3.054 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(Cl)n1 ZINC001117990580 1095914500 /nfs/dbraw/zinc/91/45/00/1095914500.db2.gz AXHIOMIHISTSBS-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(Cl)n1 ZINC001117990580 1095914510 /nfs/dbraw/zinc/91/45/10/1095914510.db2.gz AXHIOMIHISTSBS-AWEZNQCLSA-N 2 2 318.852 3.232 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)CN1Cc1ccccc1 ZINC001340525802 1095969453 /nfs/dbraw/zinc/96/94/53/1095969453.db2.gz GBWLGMJNUZLBJT-BTHPGYMESA-N 2 2 315.505 3.112 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH+]2CC3(C2)CC(F)(F)CS3)CC[NH2+]1 ZINC001246857476 1096061809 /nfs/dbraw/zinc/06/18/09/1096061809.db2.gz ZSGUNUPMXCSTRC-STQMWFEESA-N 2 2 304.450 3.124 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001119301192 1096158493 /nfs/dbraw/zinc/15/84/93/1096158493.db2.gz SXRXZYJCDPIBMH-ZDUSSCGKSA-N 2 2 320.387 3.207 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC001119301192 1096158498 /nfs/dbraw/zinc/15/84/98/1096158498.db2.gz SXRXZYJCDPIBMH-ZDUSSCGKSA-N 2 2 320.387 3.207 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)[nH+]c1C ZINC001119377334 1096182548 /nfs/dbraw/zinc/18/25/48/1096182548.db2.gz MLQDCBKFTYMLIS-UHFFFAOYSA-N 2 2 312.417 3.294 20 0 DGADLP Fc1cc(F)c2c(c1)C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171388605 1096637695 /nfs/dbraw/zinc/63/76/95/1096637695.db2.gz PAKWISVJZCCNAA-WFASDCNBSA-N 2 2 317.383 3.358 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494685 1096899431 /nfs/dbraw/zinc/89/94/31/1096899431.db2.gz BENRIQKPOPTRFF-HNNXBMFYSA-N 2 2 305.372 3.041 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171494685 1096899433 /nfs/dbraw/zinc/89/94/33/1096899433.db2.gz BENRIQKPOPTRFF-HNNXBMFYSA-N 2 2 305.372 3.041 20 0 DGADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495450 1096900666 /nfs/dbraw/zinc/90/06/66/1096900666.db2.gz IHVGOZHXYNCVHX-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495450 1096900670 /nfs/dbraw/zinc/90/06/70/1096900670.db2.gz IHVGOZHXYNCVHX-MRXNPFEDSA-N 2 2 308.416 3.238 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171467143 1096902578 /nfs/dbraw/zinc/90/25/78/1096902578.db2.gz POAIJNATWNJVDA-CABCVRRESA-N 2 2 306.400 3.039 20 0 DGADLP Fc1cc2c(cc1F)C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171467143 1096902582 /nfs/dbraw/zinc/90/25/82/1096902582.db2.gz POAIJNATWNJVDA-CABCVRRESA-N 2 2 306.400 3.039 20 0 DGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507499 1096914445 /nfs/dbraw/zinc/91/44/45/1096914445.db2.gz LBUAGIWAVOVLSC-ZDUSSCGKSA-N 2 2 314.395 3.283 20 0 DGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507499 1096914449 /nfs/dbraw/zinc/91/44/49/1096914449.db2.gz LBUAGIWAVOVLSC-ZDUSSCGKSA-N 2 2 314.395 3.283 20 0 DGADLP C[NH+]1C(C)(C)CC([NH2+]CC(=O)Cc2ccccc2)CC1(C)C ZINC001171623771 1096936717 /nfs/dbraw/zinc/93/67/17/1096936717.db2.gz FTTMLBYEHNILKS-UHFFFAOYSA-N 2 2 302.462 3.039 20 0 DGADLP C[NH+]1C(C)(C)CC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1(C)C ZINC001171641084 1096949530 /nfs/dbraw/zinc/94/95/30/1096949530.db2.gz CAEMVPIZQBOYBE-UHFFFAOYSA-N 3 2 304.482 3.174 20 0 DGADLP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227637197 1096965130 /nfs/dbraw/zinc/96/51/30/1096965130.db2.gz RXJFJDRHGAZJIS-IAGOWNOFSA-N 2 2 317.477 3.438 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171963862 1097006588 /nfs/dbraw/zinc/00/65/88/1097006588.db2.gz FOCOWKKLUYYJRX-QGZVFWFLSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC001171963862 1097006593 /nfs/dbraw/zinc/00/65/93/1097006593.db2.gz FOCOWKKLUYYJRX-QGZVFWFLSA-N 2 2 310.445 3.009 20 0 DGADLP C[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966130 1097008290 /nfs/dbraw/zinc/00/82/90/1097008290.db2.gz SMGFYQBFEYXJAO-IBGZPJMESA-N 3 2 315.505 3.113 20 0 DGADLP C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171966130 1097008295 /nfs/dbraw/zinc/00/82/95/1097008295.db2.gz SMGFYQBFEYXJAO-IBGZPJMESA-N 3 2 315.505 3.113 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccncn2)CC[N@@H+]1Cc1ccccc1 ZINC001171970554 1097020300 /nfs/dbraw/zinc/02/03/00/1097020300.db2.gz CZPKANAOZUHCAJ-QGZVFWFLSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC001171970554 1097020303 /nfs/dbraw/zinc/02/03/03/1097020303.db2.gz CZPKANAOZUHCAJ-QGZVFWFLSA-N 2 2 310.445 3.009 20 0 DGADLP CC1(C)C[C@@H](N2CCn3c[nH+]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988065 1097028651 /nfs/dbraw/zinc/02/86/51/1097028651.db2.gz OLOXCJZZCKDFBR-SFHVURJKSA-N 2 2 324.472 3.142 20 0 DGADLP CC1(C)C[C@@H](N2CCn3c[nH+]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988065 1097028655 /nfs/dbraw/zinc/02/86/55/1097028655.db2.gz OLOXCJZZCKDFBR-SFHVURJKSA-N 2 2 324.472 3.142 20 0 DGADLP Cc1nccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984958 1097029556 /nfs/dbraw/zinc/02/95/56/1097029556.db2.gz ZFLPJGSPFLRQMD-SFHVURJKSA-N 2 2 324.472 3.318 20 0 DGADLP Cc1nccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984958 1097029561 /nfs/dbraw/zinc/02/95/61/1097029561.db2.gz ZFLPJGSPFLRQMD-SFHVURJKSA-N 2 2 324.472 3.318 20 0 DGADLP C[C@H](C[NH3+])C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077484 1097038661 /nfs/dbraw/zinc/03/86/61/1097038661.db2.gz UJGHMOPXYJJKTI-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172077484 1097038666 /nfs/dbraw/zinc/03/86/66/1097038666.db2.gz UJGHMOPXYJJKTI-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077484 1097038672 /nfs/dbraw/zinc/03/86/72/1097038672.db2.gz UJGHMOPXYJJKTI-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP C[C@H](C[NH3+])C[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077484 1097038677 /nfs/dbraw/zinc/03/86/77/1097038677.db2.gz UJGHMOPXYJJKTI-LMCOJAPRSA-N 3 2 315.505 3.099 20 0 DGADLP Cn1ccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069564 1097045439 /nfs/dbraw/zinc/04/54/39/1097045439.db2.gz UZQJDGKWQSVAGV-REPLKXPHSA-N 2 2 324.472 3.095 20 0 DGADLP Cn1ccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069564 1097045444 /nfs/dbraw/zinc/04/54/44/1097045444.db2.gz UZQJDGKWQSVAGV-REPLKXPHSA-N 2 2 324.472 3.095 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163277 1097094078 /nfs/dbraw/zinc/09/40/78/1097094078.db2.gz BIRUJSQMDWUBSE-LSDHHAIUSA-N 2 2 314.832 3.388 20 0 DGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163277 1097094083 /nfs/dbraw/zinc/09/40/83/1097094083.db2.gz BIRUJSQMDWUBSE-LSDHHAIUSA-N 2 2 314.832 3.388 20 0 DGADLP CC[C@@H](C)OCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172323984 1097101717 /nfs/dbraw/zinc/10/17/17/1097101717.db2.gz KOODSGUHYGVDSO-DLBZAZTESA-N 2 2 319.493 3.481 20 0 DGADLP CC[C@@H](C)OCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001172346464 1097120478 /nfs/dbraw/zinc/12/04/78/1097120478.db2.gz ABGYTYBUTKYUEP-HUUCEWRRSA-N 2 2 323.456 3.373 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001172359967 1097125421 /nfs/dbraw/zinc/12/54/21/1097125421.db2.gz ISFJHPQMWXQJSX-IXDOHACOSA-N 2 2 306.450 3.437 20 0 DGADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001172359967 1097125425 /nfs/dbraw/zinc/12/54/25/1097125425.db2.gz ISFJHPQMWXQJSX-IXDOHACOSA-N 2 2 306.450 3.437 20 0 DGADLP CC[C@H](CC(C)C)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172401234 1097145529 /nfs/dbraw/zinc/14/55/29/1097145529.db2.gz KYNZTJRUVDXWET-JENIJYKNSA-N 2 2 301.478 3.270 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)CCOCC(C)C)C1 ZINC001172482382 1097151146 /nfs/dbraw/zinc/15/11/46/1097151146.db2.gz XYRVNUQDZKKIIY-DLBZAZTESA-N 2 2 306.450 3.294 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)CCOCC(C)C)C1 ZINC001172482382 1097151148 /nfs/dbraw/zinc/15/11/48/1097151148.db2.gz XYRVNUQDZKKIIY-DLBZAZTESA-N 2 2 306.450 3.294 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)CCOCC(C)C)C1 ZINC001172482385 1097151522 /nfs/dbraw/zinc/15/15/22/1097151522.db2.gz XYRVNUQDZKKIIY-IRXDYDNUSA-N 2 2 306.450 3.294 20 0 DGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)CCOCC(C)C)C1 ZINC001172482385 1097151524 /nfs/dbraw/zinc/15/15/24/1097151524.db2.gz XYRVNUQDZKKIIY-IRXDYDNUSA-N 2 2 306.450 3.294 20 0 DGADLP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172441484 1097155422 /nfs/dbraw/zinc/15/54/22/1097155422.db2.gz ODDZBCYDXLPSAU-INIZCTEOSA-N 2 2 320.477 3.150 20 0 DGADLP Cc1ccc(N([C@@H](C)CCOC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172458773 1097160749 /nfs/dbraw/zinc/16/07/49/1097160749.db2.gz GBHJCTXZTJKOHQ-INIZCTEOSA-N 2 2 305.466 3.152 20 0 DGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206166119 1097182077 /nfs/dbraw/zinc/18/20/77/1097182077.db2.gz QWFJSVCFRISRHN-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206166119 1097182082 /nfs/dbraw/zinc/18/20/82/1097182082.db2.gz QWFJSVCFRISRHN-KGLIPLIRSA-N 2 2 315.230 3.019 20 0 DGADLP CC1(C)CC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC(C)(C)O1 ZINC001172644183 1097201732 /nfs/dbraw/zinc/20/17/32/1097201732.db2.gz JMTOCSJCRWTENE-UHFFFAOYSA-N 2 2 316.489 3.444 20 0 DGADLP CC1(C)CC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC(C)(C)O1 ZINC001172660609 1097205012 /nfs/dbraw/zinc/20/50/12/1097205012.db2.gz LJGFEGOWLZNWHN-UHFFFAOYSA-N 2 2 317.477 3.376 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001172716901 1097215143 /nfs/dbraw/zinc/21/51/43/1097215143.db2.gz STMZUKVZWTZDNN-SFHVURJKSA-N 2 2 304.865 3.367 20 0 DGADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001172748899 1097225325 /nfs/dbraw/zinc/22/53/25/1097225325.db2.gz HFCCTWYVFQTEGY-MRXNPFEDSA-N 2 2 310.482 3.057 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001172928102 1097283470 /nfs/dbraw/zinc/28/34/70/1097283470.db2.gz INHDVVXUVKGBQH-QYZOEREBSA-N 2 2 302.462 3.198 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001172928102 1097283474 /nfs/dbraw/zinc/28/34/74/1097283474.db2.gz INHDVVXUVKGBQH-QYZOEREBSA-N 2 2 302.462 3.198 20 0 DGADLP c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001212695308 1097297426 /nfs/dbraw/zinc/29/74/26/1097297426.db2.gz YIWIUJOXXBZJJI-UHFFFAOYSA-N 2 2 316.368 3.256 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046668 1097311048 /nfs/dbraw/zinc/31/10/48/1097311048.db2.gz UHIXIUKQMCCOPI-IBGZPJMESA-N 2 2 314.473 3.111 20 0 DGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173046668 1097311050 /nfs/dbraw/zinc/31/10/50/1097311050.db2.gz UHIXIUKQMCCOPI-IBGZPJMESA-N 2 2 314.473 3.111 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173073496 1097323286 /nfs/dbraw/zinc/32/32/86/1097323286.db2.gz PCVCUIFYGFJQBJ-ZDUSSCGKSA-N 2 2 318.383 3.448 20 0 DGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173073495 1097323497 /nfs/dbraw/zinc/32/34/97/1097323497.db2.gz PCVCUIFYGFJQBJ-CYBMUJFWSA-N 2 2 318.383 3.448 20 0 DGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3ncsc3C2)cc1 ZINC001173129451 1097338701 /nfs/dbraw/zinc/33/87/01/1097338701.db2.gz HVIBRCMRHURWSI-AWEZNQCLSA-N 2 2 310.426 3.195 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173140164 1097343237 /nfs/dbraw/zinc/34/32/37/1097343237.db2.gz FEUOLIOBUFTQMK-MRXNPFEDSA-N 2 2 324.453 3.318 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173140164 1097343241 /nfs/dbraw/zinc/34/32/41/1097343241.db2.gz FEUOLIOBUFTQMK-MRXNPFEDSA-N 2 2 324.453 3.318 20 0 DGADLP C[N@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173199569 1097360437 /nfs/dbraw/zinc/36/04/37/1097360437.db2.gz GLBABQCBWGEXPF-UHFFFAOYSA-N 2 2 302.462 3.403 20 0 DGADLP C[N@@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173199569 1097360441 /nfs/dbraw/zinc/36/04/41/1097360441.db2.gz GLBABQCBWGEXPF-UHFFFAOYSA-N 2 2 302.462 3.403 20 0 DGADLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001173300831 1097403778 /nfs/dbraw/zinc/40/37/78/1097403778.db2.gz YQZMPZRMZVVAFQ-HNNXBMFYSA-N 2 2 322.518 3.391 20 0 DGADLP CC[C@@H]1CC[C@@H]([N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283114 1097413150 /nfs/dbraw/zinc/41/31/50/1097413150.db2.gz SOHTZHCVWZSEEI-HZPDHXFCSA-N 2 2 318.509 3.462 20 0 DGADLP CC[C@@H]1CC[C@@H]([N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)C1 ZINC001173283114 1097413152 /nfs/dbraw/zinc/41/31/52/1097413152.db2.gz SOHTZHCVWZSEEI-HZPDHXFCSA-N 2 2 318.509 3.462 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173481295 1097446670 /nfs/dbraw/zinc/44/66/70/1097446670.db2.gz JMCRCXTYPABSQG-UHFFFAOYSA-N 2 2 320.427 3.382 20 0 DGADLP Cn1c2ccccc2[nH+]c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174443887 1097717840 /nfs/dbraw/zinc/71/78/40/1097717840.db2.gz JCXWIYFMKZTZPW-UHFFFAOYSA-N 2 2 322.412 3.149 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001231806289 1097849112 /nfs/dbraw/zinc/84/91/12/1097849112.db2.gz BXEXROYBKRGSMW-VQIMIIECSA-N 2 2 302.462 3.247 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001231806289 1097849117 /nfs/dbraw/zinc/84/91/17/1097849117.db2.gz BXEXROYBKRGSMW-VQIMIIECSA-N 2 2 302.462 3.247 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCOc3cccc4ccccc43)C[C@H]21 ZINC001175070355 1097937390 /nfs/dbraw/zinc/93/73/90/1097937390.db2.gz RKRFOGQFXRSHLS-RUYXUALKSA-N 2 2 310.441 3.101 20 0 DGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCOc3cccc4ccccc43)C[C@H]21 ZINC001175070355 1097937397 /nfs/dbraw/zinc/93/73/97/1097937397.db2.gz RKRFOGQFXRSHLS-RUYXUALKSA-N 2 2 310.441 3.101 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc(C(F)(F)F)c1 ZINC001232241744 1097979899 /nfs/dbraw/zinc/97/98/99/1097979899.db2.gz UDUOBSRXPWTORE-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc(C(F)(F)F)c1 ZINC001232241744 1097979906 /nfs/dbraw/zinc/97/99/06/1097979906.db2.gz UDUOBSRXPWTORE-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)cs1)CC2 ZINC001232279261 1097990902 /nfs/dbraw/zinc/99/09/02/1097990902.db2.gz BUIUACKSAZIANA-UHFFFAOYSA-N 2 2 313.854 3.032 20 0 DGADLP CC(C)OCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277657809 1098017608 /nfs/dbraw/zinc/01/76/08/1098017608.db2.gz NEJOFUTYHSFQEX-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP CC(C)OCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277657809 1098017615 /nfs/dbraw/zinc/01/76/15/1098017615.db2.gz NEJOFUTYHSFQEX-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP CC(C)OCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277657809 1098017621 /nfs/dbraw/zinc/01/76/21/1098017621.db2.gz NEJOFUTYHSFQEX-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP CC(C)OCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277657809 1098017629 /nfs/dbraw/zinc/01/76/29/1098017629.db2.gz NEJOFUTYHSFQEX-IBGZPJMESA-N 2 2 319.493 3.118 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001232388613 1098023151 /nfs/dbraw/zinc/02/31/51/1098023151.db2.gz HSSGHBPPCZMJFE-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(OC(C)C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001232388613 1098023158 /nfs/dbraw/zinc/02/31/58/1098023158.db2.gz HSSGHBPPCZMJFE-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(OC(C)C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001232388613 1098023166 /nfs/dbraw/zinc/02/31/66/1098023166.db2.gz HSSGHBPPCZMJFE-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP COc1ccc(OC(C)C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001232388613 1098023173 /nfs/dbraw/zinc/02/31/73/1098023173.db2.gz HSSGHBPPCZMJFE-IBGZPJMESA-N 2 2 318.461 3.010 20 0 DGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OC(C)C)C[C@H]2C1 ZINC001232399660 1098028252 /nfs/dbraw/zinc/02/82/52/1098028252.db2.gz XLHAADVMWJJINE-QZTJIDSGSA-N 2 2 302.462 3.166 20 0 DGADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468911 1098047369 /nfs/dbraw/zinc/04/73/69/1098047369.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468911 1098047371 /nfs/dbraw/zinc/04/73/71/1098047371.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468911 1098047376 /nfs/dbraw/zinc/04/73/76/1098047376.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 3 2 324.472 3.062 20 0 DGADLP Cc1[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c[nH+]1 ZINC001232468911 1098047380 /nfs/dbraw/zinc/04/73/80/1098047380.db2.gz QUJAWMKCWZDWKW-RTBURBONSA-N 3 2 324.472 3.062 20 0 DGADLP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175461305 1098071108 /nfs/dbraw/zinc/07/11/08/1098071108.db2.gz MXBFZPVNMKWMDL-HNNXBMFYSA-N 2 2 322.497 3.043 20 0 DGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503667 1098073543 /nfs/dbraw/zinc/07/35/43/1098073543.db2.gz SJBJQHYXLDKCMB-DLBZAZTESA-N 2 2 322.497 3.289 20 0 DGADLP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501925 1098073964 /nfs/dbraw/zinc/07/39/64/1098073964.db2.gz HKCPUMJKCDLFQN-IAGOWNOFSA-N 2 2 322.497 3.145 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc3ccoc3cn2)C1 ZINC001232554901 1098076925 /nfs/dbraw/zinc/07/69/25/1098076925.db2.gz NSWTZUHBPOHUMN-MRXNPFEDSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232554901 1098076928 /nfs/dbraw/zinc/07/69/28/1098076928.db2.gz NSWTZUHBPOHUMN-MRXNPFEDSA-N 2 2 309.369 3.185 20 0 DGADLP CCOc1ccnc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001232586935 1098084551 /nfs/dbraw/zinc/08/45/51/1098084551.db2.gz VINHBPYTKAPISJ-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP CCOc1ccnc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001232586935 1098084553 /nfs/dbraw/zinc/08/45/53/1098084553.db2.gz VINHBPYTKAPISJ-UHFFFAOYSA-N 2 2 317.477 3.319 20 0 DGADLP COc1cccc(C)c1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001232623595 1098097125 /nfs/dbraw/zinc/09/71/25/1098097125.db2.gz ALSNLNVUYLWMDR-UHFFFAOYSA-N 2 2 320.452 3.402 20 0 DGADLP COc1cccc(C)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001232624642 1098099284 /nfs/dbraw/zinc/09/92/84/1098099284.db2.gz QUAJOARDXJAXIA-MRXNPFEDSA-N 2 2 312.413 3.360 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001277707770 1098124943 /nfs/dbraw/zinc/12/49/43/1098124943.db2.gz GXZGPOYHELKRNJ-LJQANCHMSA-N 2 2 315.461 3.004 20 0 DGADLP Cc1ccc[nH+]c1N1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001277707770 1098124947 /nfs/dbraw/zinc/12/49/47/1098124947.db2.gz GXZGPOYHELKRNJ-LJQANCHMSA-N 2 2 315.461 3.004 20 0 DGADLP CC[N@@H+](Cc1c[nH]c2cc(Cl)ncc12)C1CC[NH+](C)CC1 ZINC001232821079 1098144410 /nfs/dbraw/zinc/14/44/10/1098144410.db2.gz OVAUHMLNBDNYSO-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP CC[N@H+](Cc1c[nH]c2cc(Cl)ncc12)C1CC[NH+](C)CC1 ZINC001232821079 1098144407 /nfs/dbraw/zinc/14/44/07/1098144407.db2.gz OVAUHMLNBDNYSO-UHFFFAOYSA-N 2 2 306.841 3.132 20 0 DGADLP Clc1cc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2cn1 ZINC001232824520 1098145887 /nfs/dbraw/zinc/14/58/87/1098145887.db2.gz WEHTVGJTEXGJBL-UHFFFAOYSA-N 2 2 315.808 3.250 20 0 DGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c(F)c3Cl)C[C@@H]2C1 ZINC001232873689 1098157537 /nfs/dbraw/zinc/15/75/37/1098157537.db2.gz BHSMZNLLEQPBLF-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c(F)c3Cl)C[C@@H]2C1 ZINC001232873689 1098157539 /nfs/dbraw/zinc/15/75/39/1098157539.db2.gz BHSMZNLLEQPBLF-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3Cl)C[C@@H]2C1 ZINC001232873689 1098157541 /nfs/dbraw/zinc/15/75/41/1098157541.db2.gz BHSMZNLLEQPBLF-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3Cl)C[C@@H]2C1 ZINC001232873689 1098157544 /nfs/dbraw/zinc/15/75/44/1098157544.db2.gz BHSMZNLLEQPBLF-PWSUYJOCSA-N 2 2 300.780 3.002 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3ncoc3c2)C1 ZINC001232945909 1098178716 /nfs/dbraw/zinc/17/87/16/1098178716.db2.gz PKJQKBAWXDKZHP-OAHLLOKOSA-N 2 2 309.369 3.185 20 0 DGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3ncoc3c2)C1 ZINC001232945909 1098178719 /nfs/dbraw/zinc/17/87/19/1098178719.db2.gz PKJQKBAWXDKZHP-OAHLLOKOSA-N 2 2 309.369 3.185 20 0 DGADLP CCOc1cc[nH+]cc1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176223935 1098288117 /nfs/dbraw/zinc/28/81/17/1098288117.db2.gz QBEYGZXISBKEMT-UHFFFAOYSA-N 2 2 301.390 3.164 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206277292 1098382990 /nfs/dbraw/zinc/38/29/90/1098382990.db2.gz QTUCIUQUIBPADU-ZDUSSCGKSA-N 2 2 301.459 3.160 20 0 DGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206277292 1098382996 /nfs/dbraw/zinc/38/29/96/1098382996.db2.gz QTUCIUQUIBPADU-ZDUSSCGKSA-N 2 2 301.459 3.160 20 0 DGADLP c1nn(CC[NH+]2CCCC2)cc1Nc1cccc2cc[nH+]cc21 ZINC001176559944 1098387014 /nfs/dbraw/zinc/38/70/14/1098387014.db2.gz GPAUUNCFFSGECB-UHFFFAOYSA-N 2 2 307.401 3.271 20 0 DGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001206277620 1098388599 /nfs/dbraw/zinc/38/85/99/1098388599.db2.gz VSBQFFGNJMMYOA-NSHDSACASA-N 2 2 304.381 3.340 20 0 DGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC001206277620 1098388605 /nfs/dbraw/zinc/38/86/05/1098388605.db2.gz VSBQFFGNJMMYOA-NSHDSACASA-N 2 2 304.381 3.340 20 0 DGADLP c1c[nH+]c(N2CCCC2)c(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001176749091 1098419455 /nfs/dbraw/zinc/41/94/55/1098419455.db2.gz UARCWWFINVRGMU-UHFFFAOYSA-N 2 2 309.417 3.421 20 0 DGADLP CCc1cccc(Cl)c1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001177166352 1098479268 /nfs/dbraw/zinc/47/92/68/1098479268.db2.gz OPIQIDOLRQKAIX-GJZGRUSLSA-N 2 2 324.896 3.491 20 0 DGADLP CC(C)c1ccccc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001177161629 1098486435 /nfs/dbraw/zinc/48/64/35/1098486435.db2.gz CVGLFOVMECQNFN-IAGOWNOFSA-N 2 2 304.478 3.399 20 0 DGADLP c1cn(Cc2cccc(C[NH2+]Cc3cc4cccnc4o3)c2)c[nH+]1 ZINC001177217210 1098496002 /nfs/dbraw/zinc/49/60/02/1098496002.db2.gz DGZNFBOTXYVYIO-UHFFFAOYSA-N 2 2 318.380 3.362 20 0 DGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)N1CCC[C@H](C)C1 ZINC001177261414 1098507859 /nfs/dbraw/zinc/50/78/59/1098507859.db2.gz DNFRCHVXFDPYKT-LSDHHAIUSA-N 2 2 318.490 3.144 20 0 DGADLP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893897 1098667416 /nfs/dbraw/zinc/66/74/16/1098667416.db2.gz RLHPYZYNQKEWRX-HLRDLLSLSA-N 2 2 317.477 3.413 20 0 DGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001235005009 1098747296 /nfs/dbraw/zinc/74/72/96/1098747296.db2.gz DKLWRQBTXSVGFK-UHFFFAOYSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001235005009 1098747307 /nfs/dbraw/zinc/74/73/07/1098747307.db2.gz DKLWRQBTXSVGFK-UHFFFAOYSA-N 2 2 313.832 3.325 20 0 DGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(COc2ccccc2)cc1 ZINC001235008817 1098748950 /nfs/dbraw/zinc/74/89/50/1098748950.db2.gz VETIMPJAEDPFRH-UHFFFAOYSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(COc2ccccc2)cc1 ZINC001235008817 1098748958 /nfs/dbraw/zinc/74/89/58/1098748958.db2.gz VETIMPJAEDPFRH-UHFFFAOYSA-N 2 2 308.425 3.189 20 0 DGADLP Brc1ccc(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016888 1098752172 /nfs/dbraw/zinc/75/21/72/1098752172.db2.gz JJLXQHXBFHETBA-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Brc1ccc(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016888 1098752183 /nfs/dbraw/zinc/75/21/83/1098752183.db2.gz JJLXQHXBFHETBA-GOEBONIOSA-N 2 2 323.278 3.066 20 0 DGADLP Clc1ccccc1-c1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)o1 ZINC001235023711 1098755494 /nfs/dbraw/zinc/75/54/94/1098755494.db2.gz FUSKQSYQPKHJOO-UHFFFAOYSA-N 2 2 302.805 3.395 20 0 DGADLP Clc1ccccc1-c1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)o1 ZINC001235023711 1098755499 /nfs/dbraw/zinc/75/54/99/1098755499.db2.gz FUSKQSYQPKHJOO-UHFFFAOYSA-N 2 2 302.805 3.395 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC001235032312 1098761588 /nfs/dbraw/zinc/76/15/88/1098761588.db2.gz JRIOQTYKPJTGIM-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)cc1Br ZINC001235032312 1098761595 /nfs/dbraw/zinc/76/15/95/1098761595.db2.gz JRIOQTYKPJTGIM-INIZCTEOSA-N 2 2 323.278 3.251 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235045713 1098770999 /nfs/dbraw/zinc/77/09/99/1098770999.db2.gz MNUOLDAPBDCMKS-FQEVSTJZSA-N 2 2 324.472 3.493 20 0 DGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235045713 1098771009 /nfs/dbraw/zinc/77/10/09/1098771009.db2.gz MNUOLDAPBDCMKS-FQEVSTJZSA-N 2 2 324.472 3.493 20 0 DGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001235098412 1098801075 /nfs/dbraw/zinc/80/10/75/1098801075.db2.gz KEZVOYJEXXTLEC-UHFFFAOYSA-N 2 2 313.489 3.345 20 0 DGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001235098412 1098801083 /nfs/dbraw/zinc/80/10/83/1098801083.db2.gz KEZVOYJEXXTLEC-UHFFFAOYSA-N 2 2 313.489 3.345 20 0 DGADLP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235116059 1098814614 /nfs/dbraw/zinc/81/46/14/1098814614.db2.gz IJANNYXJWSXPNL-HXUWFJFHSA-N 2 2 316.489 3.329 20 0 DGADLP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235116059 1098814628 /nfs/dbraw/zinc/81/46/28/1098814628.db2.gz IJANNYXJWSXPNL-HXUWFJFHSA-N 2 2 316.489 3.329 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235115891 1098814805 /nfs/dbraw/zinc/81/48/05/1098814805.db2.gz SKUBEGBNFZLWSX-IBGZPJMESA-N 2 2 302.462 3.419 20 0 DGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235115891 1098814821 /nfs/dbraw/zinc/81/48/21/1098814821.db2.gz SKUBEGBNFZLWSX-IBGZPJMESA-N 2 2 302.462 3.419 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235128557 1098825488 /nfs/dbraw/zinc/82/54/88/1098825488.db2.gz GYJRXOKNCNQUHO-HXUWFJFHSA-N 2 2 314.473 3.299 20 0 DGADLP c1ccc(C2CCOCC2)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235128557 1098825491 /nfs/dbraw/zinc/82/54/91/1098825491.db2.gz GYJRXOKNCNQUHO-HXUWFJFHSA-N 2 2 314.473 3.299 20 0 DGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235141699 1098833064 /nfs/dbraw/zinc/83/30/64/1098833064.db2.gz WLZRAYIFSWHESM-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235141699 1098833076 /nfs/dbraw/zinc/83/30/76/1098833076.db2.gz WLZRAYIFSWHESM-UHFFFAOYSA-N 2 2 308.853 3.457 20 0 DGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)cc2)cc1 ZINC001235161930 1098847768 /nfs/dbraw/zinc/84/77/68/1098847768.db2.gz QNLGHUYJOAPELO-AZUAARDMSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)cc2)cc1 ZINC001235161930 1098847778 /nfs/dbraw/zinc/84/77/78/1098847778.db2.gz QNLGHUYJOAPELO-AZUAARDMSA-N 2 2 308.425 3.285 20 0 DGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CCCO2 ZINC001235169165 1098850893 /nfs/dbraw/zinc/85/08/93/1098850893.db2.gz WFUFOKRNUGASLF-IBGZPJMESA-N 2 2 300.446 3.120 20 0 DGADLP c1cc2c(cc1C[N@H+]1CCCC[C@@]13CCC[NH2+]C3)CCCO2 ZINC001235169165 1098850902 /nfs/dbraw/zinc/85/09/02/1098850902.db2.gz WFUFOKRNUGASLF-IBGZPJMESA-N 2 2 300.446 3.120 20 0 DGADLP Fc1cccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235171498 1098852447 /nfs/dbraw/zinc/85/24/47/1098852447.db2.gz JWVICPFKWKDUHY-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP Fc1cccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235171498 1098852458 /nfs/dbraw/zinc/85/24/58/1098852458.db2.gz JWVICPFKWKDUHY-GOSISDBHSA-N 2 2 301.409 3.415 20 0 DGADLP CCN1CCc2ccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)cc21 ZINC001235179342 1098861191 /nfs/dbraw/zinc/86/11/91/1098861191.db2.gz ZHXKQRXFNGEDND-HXUWFJFHSA-N 2 2 313.489 3.177 20 0 DGADLP CCN1CCc2ccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cc21 ZINC001235179342 1098861200 /nfs/dbraw/zinc/86/12/00/1098861200.db2.gz ZHXKQRXFNGEDND-HXUWFJFHSA-N 2 2 313.489 3.177 20 0 DGADLP c1cn(-c2ccc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)cc2)c[nH+]1 ZINC001235230666 1098904323 /nfs/dbraw/zinc/90/43/23/1098904323.db2.gz WLQOVMYZMDJZOU-HXUWFJFHSA-N 3 2 324.472 3.226 20 0 DGADLP Fc1nc(Cl)ccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232173 1098906510 /nfs/dbraw/zinc/90/65/10/1098906510.db2.gz VKIASNJMVAICQA-AWEZNQCLSA-N 2 2 311.832 3.228 20 0 DGADLP C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]C1 ZINC001235342072 1098966884 /nfs/dbraw/zinc/96/68/84/1098966884.db2.gz HZIZOBJHWSJDOI-SFHVURJKSA-N 2 2 320.440 3.209 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]C1 ZINC001235342072 1098966890 /nfs/dbraw/zinc/96/68/90/1098966890.db2.gz HZIZOBJHWSJDOI-SFHVURJKSA-N 2 2 320.440 3.209 20 0 DGADLP Fc1ccc(CC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235400383 1098995305 /nfs/dbraw/zinc/99/53/05/1098995305.db2.gz CNQXAVWHAYWVHB-HOTGVXAUSA-N 2 2 314.807 3.045 20 0 DGADLP Fc1ccc(CC[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235400383 1098995308 /nfs/dbraw/zinc/99/53/08/1098995308.db2.gz CNQXAVWHAYWVHB-HOTGVXAUSA-N 2 2 314.807 3.045 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC001179081955 1099012681 /nfs/dbraw/zinc/01/26/81/1099012681.db2.gz QRAVUDGECHYQKH-UHFFFAOYSA-N 2 2 321.484 3.493 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC001179081955 1099012695 /nfs/dbraw/zinc/01/26/95/1099012695.db2.gz QRAVUDGECHYQKH-UHFFFAOYSA-N 2 2 321.484 3.493 20 0 DGADLP C[N@H+](CCC[NH3+])Cc1c(Br)ccc2ccccc21 ZINC001235435245 1099031498 /nfs/dbraw/zinc/03/14/98/1099031498.db2.gz FAPTVKUDBJZCDU-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP C[N@@H+](CCC[NH3+])Cc1c(Br)ccc2ccccc21 ZINC001235435245 1099031511 /nfs/dbraw/zinc/03/15/11/1099031511.db2.gz FAPTVKUDBJZCDU-UHFFFAOYSA-N 2 2 307.235 3.383 20 0 DGADLP C[C@@H](CC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C)[NH+](C)C ZINC001179266708 1099052528 /nfs/dbraw/zinc/05/25/28/1099052528.db2.gz WCRZTGJWAOVWNI-NSHDSACASA-N 2 2 318.292 3.489 20 0 DGADLP CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402575 1099081706 /nfs/dbraw/zinc/08/17/06/1099081706.db2.gz VTSIQCPFBUIJRM-CGTJXYLNSA-N 2 2 304.478 3.179 20 0 DGADLP CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179402575 1099081720 /nfs/dbraw/zinc/08/17/20/1099081720.db2.gz VTSIQCPFBUIJRM-CGTJXYLNSA-N 2 2 304.478 3.179 20 0 DGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc3ccc(F)cc3[nH]1)CC2 ZINC001235700264 1099134132 /nfs/dbraw/zinc/13/41/32/1099134132.db2.gz JJTZYODCFBIXFU-UHFFFAOYSA-N 2 2 316.424 3.010 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235725598 1099149125 /nfs/dbraw/zinc/14/91/25/1099149125.db2.gz RRUOVPIWHIMZAO-IBGZPJMESA-N 2 2 310.441 3.497 20 0 DGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235725598 1099149129 /nfs/dbraw/zinc/14/91/29/1099149129.db2.gz RRUOVPIWHIMZAO-IBGZPJMESA-N 2 2 310.441 3.497 20 0 DGADLP CCCc1ccc(C[N@H+](CCCOC)[C@@H]2CCC[NH2+]C2)s1 ZINC001235804614 1099187719 /nfs/dbraw/zinc/18/77/19/1099187719.db2.gz AJVDXSJADXBMQP-OAHLLOKOSA-N 2 2 310.507 3.291 20 0 DGADLP CCCc1ccc(C[N@@H+](CCCOC)[C@@H]2CCC[NH2+]C2)s1 ZINC001235804614 1099187722 /nfs/dbraw/zinc/18/77/22/1099187722.db2.gz AJVDXSJADXBMQP-OAHLLOKOSA-N 2 2 310.507 3.291 20 0 DGADLP COCCC[N@H+](Cc1ccccc1C(C)C)[C@H]1CCC[NH2+]C1 ZINC001235807764 1099189096 /nfs/dbraw/zinc/18/90/96/1099189096.db2.gz WDFDQDUUUHXAML-SFHVURJKSA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@@H+](Cc1ccccc1C(C)C)[C@H]1CCC[NH2+]C1 ZINC001235807764 1099189098 /nfs/dbraw/zinc/18/90/98/1099189098.db2.gz WDFDQDUUUHXAML-SFHVURJKSA-N 2 2 304.478 3.401 20 0 DGADLP COCCC[N@H+](Cc1cc(C)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001235808174 1099189949 /nfs/dbraw/zinc/18/99/49/1099189949.db2.gz XXOHVCOYLCFJKA-QGZVFWFLSA-N 2 2 310.869 3.239 20 0 DGADLP COCCC[N@@H+](Cc1cc(C)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001235808174 1099189953 /nfs/dbraw/zinc/18/99/53/1099189953.db2.gz XXOHVCOYLCFJKA-QGZVFWFLSA-N 2 2 310.869 3.239 20 0 DGADLP CCc1cccc(C)c1C[N@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001235810072 1099190867 /nfs/dbraw/zinc/19/08/67/1099190867.db2.gz MMZUSGCRLBQWOY-GOSISDBHSA-N 2 2 304.478 3.148 20 0 DGADLP CCc1cccc(C)c1C[N@@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001235810072 1099190869 /nfs/dbraw/zinc/19/08/69/1099190869.db2.gz MMZUSGCRLBQWOY-GOSISDBHSA-N 2 2 304.478 3.148 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H](c3ccccc3Cl)C2)CO1 ZINC001235826762 1099196884 /nfs/dbraw/zinc/19/68/84/1099196884.db2.gz BOQAVYSUTQSRJQ-KBPBESRZSA-N 2 2 308.853 3.244 20 0 DGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@H](c3ccccc3Cl)C2)CO1 ZINC001235826762 1099196887 /nfs/dbraw/zinc/19/68/87/1099196887.db2.gz BOQAVYSUTQSRJQ-KBPBESRZSA-N 2 2 308.853 3.244 20 0 DGADLP Fc1ccc2c(c1)C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235832649 1099199743 /nfs/dbraw/zinc/19/97/43/1099199743.db2.gz AOZDOFPGNKENDB-UHFFFAOYSA-N 2 2 321.399 3.399 20 0 DGADLP Fc1ccc2c(c1)C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235832649 1099199747 /nfs/dbraw/zinc/19/97/47/1099199747.db2.gz AOZDOFPGNKENDB-UHFFFAOYSA-N 2 2 321.399 3.399 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)c2c1 ZINC001235892106 1099236325 /nfs/dbraw/zinc/23/63/25/1099236325.db2.gz KXXWSJMTTODEKF-DZGCQCFKSA-N 2 2 314.429 3.169 20 0 DGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)c2c1 ZINC001235892106 1099236334 /nfs/dbraw/zinc/23/63/34/1099236334.db2.gz KXXWSJMTTODEKF-DZGCQCFKSA-N 2 2 314.429 3.169 20 0 DGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925121 1099261122 /nfs/dbraw/zinc/26/11/22/1099261122.db2.gz BLDBQEKJOBAWNW-LBPRGKRZSA-N 2 2 324.519 3.210 20 0 DGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@H]1CC[NH3+] ZINC001235925121 1099261125 /nfs/dbraw/zinc/26/11/25/1099261125.db2.gz BLDBQEKJOBAWNW-LBPRGKRZSA-N 2 2 324.519 3.210 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Br ZINC001235924982 1099261845 /nfs/dbraw/zinc/26/18/45/1099261845.db2.gz DNYCWOIBRHLPRN-LBPRGKRZSA-N 2 2 317.658 3.416 20 0 DGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Br ZINC001235924982 1099261853 /nfs/dbraw/zinc/26/18/53/1099261853.db2.gz DNYCWOIBRHLPRN-LBPRGKRZSA-N 2 2 317.658 3.416 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc2c1 ZINC001235959983 1099291263 /nfs/dbraw/zinc/29/12/63/1099291263.db2.gz QKNWXNWOTPQHFD-FVCICTRLSA-N 2 2 315.848 3.366 20 0 DGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc2c1 ZINC001235959983 1099291272 /nfs/dbraw/zinc/29/12/72/1099291272.db2.gz QKNWXNWOTPQHFD-FVCICTRLSA-N 2 2 315.848 3.366 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979833 1099309414 /nfs/dbraw/zinc/30/94/14/1099309414.db2.gz LCICOJMFMZODFL-UYAOXDASSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc(OCc3ccccc3)c1)C2 ZINC001235979833 1099309426 /nfs/dbraw/zinc/30/94/26/1099309426.db2.gz LCICOJMFMZODFL-UYAOXDASSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998260 1099319425 /nfs/dbraw/zinc/31/94/25/1099319425.db2.gz XSIHKYVIHMNFIG-ICSRJNTNSA-N 2 2 308.425 3.189 20 0 DGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(COc3ccccc3)cc1)C2 ZINC001235998260 1099319436 /nfs/dbraw/zinc/31/94/36/1099319436.db2.gz XSIHKYVIHMNFIG-ICSRJNTNSA-N 2 2 308.425 3.189 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997843 1099319867 /nfs/dbraw/zinc/31/98/67/1099319867.db2.gz ZPKSSZRKEVQTHU-YLJYHZDGSA-N 2 2 308.425 3.285 20 0 DGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997843 1099319880 /nfs/dbraw/zinc/31/98/80/1099319880.db2.gz ZPKSSZRKEVQTHU-YLJYHZDGSA-N 2 2 308.425 3.285 20 0 DGADLP CC[N@H+](Cc1cc(C)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC001236005049 1099321724 /nfs/dbraw/zinc/32/17/24/1099321724.db2.gz AKEDGLHUGXOACZ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CC[N@@H+](Cc1cc(C)cc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC001236005049 1099321738 /nfs/dbraw/zinc/32/17/38/1099321738.db2.gz AKEDGLHUGXOACZ-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP CCOC(OCC)c1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236008679 1099330241 /nfs/dbraw/zinc/33/02/41/1099330241.db2.gz IIUGIMPQVBPGIG-SFHVURJKSA-N 2 2 320.477 3.332 20 0 DGADLP CCOC(OCC)c1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236008679 1099330254 /nfs/dbraw/zinc/33/02/54/1099330254.db2.gz IIUGIMPQVBPGIG-SFHVURJKSA-N 2 2 320.477 3.332 20 0 DGADLP COc1cc(Cl)cc(F)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008455 1099331671 /nfs/dbraw/zinc/33/16/71/1099331671.db2.gz FDGALADPJYNPGS-UHFFFAOYSA-N 2 2 312.816 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236048327 1099350080 /nfs/dbraw/zinc/35/00/80/1099350080.db2.gz NQJUEEPUKXNSTD-MFKMUULPSA-N 2 2 302.340 3.063 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236048327 1099350093 /nfs/dbraw/zinc/35/00/93/1099350093.db2.gz NQJUEEPUKXNSTD-MFKMUULPSA-N 2 2 302.340 3.063 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC001180317602 1099366953 /nfs/dbraw/zinc/36/69/53/1099366953.db2.gz KCMRTIOGZSYMOZ-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC001180317602 1099366964 /nfs/dbraw/zinc/36/69/64/1099366964.db2.gz KCMRTIOGZSYMOZ-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001236073505 1099371276 /nfs/dbraw/zinc/37/12/76/1099371276.db2.gz TYIRZWRIKKQZJG-GWCFXTLKSA-N 2 2 300.780 3.146 20 0 DGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001236073505 1099371290 /nfs/dbraw/zinc/37/12/90/1099371290.db2.gz TYIRZWRIKKQZJG-GWCFXTLKSA-N 2 2 300.780 3.146 20 0 DGADLP CCC[N@H+](Cc1cc(Cl)c(OC)cc1F)C1CC[NH2+]CC1 ZINC001236183900 1099453551 /nfs/dbraw/zinc/45/35/51/1099453551.db2.gz BCKZEGZINRXVAB-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP CCC[N@@H+](Cc1cc(Cl)c(OC)cc1F)C1CC[NH2+]CC1 ZINC001236183900 1099453553 /nfs/dbraw/zinc/45/35/53/1099453553.db2.gz BCKZEGZINRXVAB-UHFFFAOYSA-N 2 2 314.832 3.452 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236206911 1099462306 /nfs/dbraw/zinc/46/23/06/1099462306.db2.gz LLCQFRMJLANGKZ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236206911 1099462309 /nfs/dbraw/zinc/46/23/09/1099462309.db2.gz LLCQFRMJLANGKZ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP C[N@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207068 1099463879 /nfs/dbraw/zinc/46/38/79/1099463879.db2.gz NXBCNSJOFAKBJF-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP C[N@@H+](Cc1ccc2nc(Cl)ccc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207068 1099463882 /nfs/dbraw/zinc/46/38/82/1099463882.db2.gz NXBCNSJOFAKBJF-KRWDZBQOSA-N 2 2 303.837 3.462 20 0 DGADLP Cc1ccc(Br)cc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236208347 1099464396 /nfs/dbraw/zinc/46/43/96/1099464396.db2.gz RPVLTDIYQZBMPU-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP Cc1ccc(Br)cc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236208347 1099464404 /nfs/dbraw/zinc/46/44/04/1099464404.db2.gz RPVLTDIYQZBMPU-HNNXBMFYSA-N 2 2 311.267 3.331 20 0 DGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1OCC1CC1 ZINC001236218823 1099476274 /nfs/dbraw/zinc/47/62/74/1099476274.db2.gz UDJOERJYYVBLJI-IRXDYDNUSA-N 2 2 318.461 3.186 20 0 DGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1OCC1CC1 ZINC001236218823 1099476280 /nfs/dbraw/zinc/47/62/80/1099476280.db2.gz UDJOERJYYVBLJI-IRXDYDNUSA-N 2 2 318.461 3.186 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236407810 1099582626 /nfs/dbraw/zinc/58/26/26/1099582626.db2.gz HXZSWRAJEQIYCE-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)(F)F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236407810 1099582636 /nfs/dbraw/zinc/58/26/36/1099582636.db2.gz HXZSWRAJEQIYCE-LLVKDONJSA-N 2 2 320.330 3.156 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236420520 1099595332 /nfs/dbraw/zinc/59/53/32/1099595332.db2.gz NCXOEKZNMSTBDK-FZMZJTMJSA-N 2 2 302.340 3.205 20 0 DGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236420520 1099595342 /nfs/dbraw/zinc/59/53/42/1099595342.db2.gz NCXOEKZNMSTBDK-FZMZJTMJSA-N 2 2 302.340 3.205 20 0 DGADLP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236424772 1099599558 /nfs/dbraw/zinc/59/95/58/1099599558.db2.gz WJPZWPASAQKIGU-MRXNPFEDSA-N 2 2 306.425 3.062 20 0 DGADLP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001236424772 1099599567 /nfs/dbraw/zinc/59/95/67/1099599567.db2.gz WJPZWPASAQKIGU-MRXNPFEDSA-N 2 2 306.425 3.062 20 0 DGADLP CC(C)[N@H+](Cc1c[nH]nc1-c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC001236469344 1099628539 /nfs/dbraw/zinc/62/85/39/1099628539.db2.gz SAUQZXMMXMFSRX-CQSZACIVSA-N 2 2 304.463 3.101 20 0 DGADLP CC(C)[N@@H+](Cc1c[nH]nc1-c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC001236469344 1099628542 /nfs/dbraw/zinc/62/85/42/1099628542.db2.gz SAUQZXMMXMFSRX-CQSZACIVSA-N 2 2 304.463 3.101 20 0 DGADLP COc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc2c1OCC=C2 ZINC001236470886 1099629623 /nfs/dbraw/zinc/62/96/23/1099629623.db2.gz FJRDDIOCXXKUGN-QGZVFWFLSA-N 2 2 316.445 3.063 20 0 DGADLP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc2c1OCC=C2 ZINC001236470886 1099629628 /nfs/dbraw/zinc/62/96/28/1099629628.db2.gz FJRDDIOCXXKUGN-QGZVFWFLSA-N 2 2 316.445 3.063 20 0 DGADLP COc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(F)c1OC ZINC001236473413 1099631957 /nfs/dbraw/zinc/63/19/57/1099631957.db2.gz IICKIWAPGIFORC-OAHLLOKOSA-N 2 2 324.440 3.053 20 0 DGADLP COc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(F)c1OC ZINC001236473413 1099631964 /nfs/dbraw/zinc/63/19/64/1099631964.db2.gz IICKIWAPGIFORC-OAHLLOKOSA-N 2 2 324.440 3.053 20 0 DGADLP CSc1cc(C)c(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cn1 ZINC001236474029 1099633575 /nfs/dbraw/zinc/63/35/75/1099633575.db2.gz KUZXKYJLWSNVGV-MRXNPFEDSA-N 2 2 307.507 3.322 20 0 DGADLP CSc1cc(C)c(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cn1 ZINC001236474029 1099633581 /nfs/dbraw/zinc/63/35/81/1099633581.db2.gz KUZXKYJLWSNVGV-MRXNPFEDSA-N 2 2 307.507 3.322 20 0 DGADLP CC(C)C[N@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC001236477763 1099635063 /nfs/dbraw/zinc/63/50/63/1099635063.db2.gz LSVUZTAVQRUMME-QGZVFWFLSA-N 2 2 318.461 3.058 20 0 DGADLP CC(C)C[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC001236477763 1099635066 /nfs/dbraw/zinc/63/50/66/1099635066.db2.gz LSVUZTAVQRUMME-QGZVFWFLSA-N 2 2 318.461 3.058 20 0 DGADLP CCc1nc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc(C)[nH+]1 ZINC001187931877 1099639529 /nfs/dbraw/zinc/63/95/29/1099639529.db2.gz QJJJPUYSXVDARA-HNNXBMFYSA-N 2 2 316.836 3.152 20 0 DGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c2c[nH]nc21 ZINC001236502796 1099648453 /nfs/dbraw/zinc/64/84/53/1099648453.db2.gz HHFZHDSCVAAQGH-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c2c[nH]nc21 ZINC001236502796 1099648455 /nfs/dbraw/zinc/64/84/55/1099648455.db2.gz HHFZHDSCVAAQGH-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP CC(C)Oc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccn1 ZINC001236559918 1099678807 /nfs/dbraw/zinc/67/88/07/1099678807.db2.gz BCWYYDLJZAOTQE-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP CC(C)Oc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccn1 ZINC001236559918 1099678814 /nfs/dbraw/zinc/67/88/14/1099678814.db2.gz BCWYYDLJZAOTQE-SFHVURJKSA-N 2 2 311.429 3.069 20 0 DGADLP Cc1cccn2c(CN([C@@H]3CC[NH2+]C3)C3CCCCC3)c[nH+]c12 ZINC001236650783 1099721778 /nfs/dbraw/zinc/72/17/78/1099721778.db2.gz FEORFDMLAJVUJE-QGZVFWFLSA-N 2 2 312.461 3.139 20 0 DGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236869420 1099843439 /nfs/dbraw/zinc/84/34/39/1099843439.db2.gz VPSVWWIXOPFXAW-INIZCTEOSA-N 2 2 308.429 3.195 20 0 DGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001236869420 1099843451 /nfs/dbraw/zinc/84/34/51/1099843451.db2.gz VPSVWWIXOPFXAW-INIZCTEOSA-N 2 2 308.429 3.195 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc2cc(Br)ccc2s1 ZINC001236895133 1099859055 /nfs/dbraw/zinc/85/90/55/1099859055.db2.gz MCGAPPAHNYEEFW-VIFPVBQESA-N 2 2 313.264 3.443 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2cc(Br)ccc2s1 ZINC001236895133 1099859059 /nfs/dbraw/zinc/85/90/59/1099859059.db2.gz MCGAPPAHNYEEFW-VIFPVBQESA-N 2 2 313.264 3.443 20 0 DGADLP C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902874 1099864634 /nfs/dbraw/zinc/86/46/34/1099864634.db2.gz JPSSRXXTZLBQJG-DZGCQCFKSA-N 2 2 319.836 3.119 20 0 DGADLP C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902874 1099864643 /nfs/dbraw/zinc/86/46/43/1099864643.db2.gz JPSSRXXTZLBQJG-DZGCQCFKSA-N 2 2 319.836 3.119 20 0 DGADLP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236906036 1099868895 /nfs/dbraw/zinc/86/88/95/1099868895.db2.gz TYCMFVPUBYJBOA-KCQAQPDRSA-N 2 2 305.784 3.458 20 0 DGADLP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236906036 1099868908 /nfs/dbraw/zinc/86/89/08/1099868908.db2.gz TYCMFVPUBYJBOA-KCQAQPDRSA-N 2 2 305.784 3.458 20 0 DGADLP Clc1cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236909688 1099870306 /nfs/dbraw/zinc/87/03/06/1099870306.db2.gz XBSIXTWBLNWKTQ-PBHICJAKSA-N 2 2 317.820 3.137 20 0 DGADLP Clc1cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001236909688 1099870311 /nfs/dbraw/zinc/87/03/11/1099870311.db2.gz XBSIXTWBLNWKTQ-PBHICJAKSA-N 2 2 317.820 3.137 20 0 DGADLP C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1(C)C ZINC001236916404 1099875787 /nfs/dbraw/zinc/87/57/87/1099875787.db2.gz LTIOIXZPTWYSPD-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1(C)C ZINC001236916404 1099875798 /nfs/dbraw/zinc/87/57/98/1099875798.db2.gz LTIOIXZPTWYSPD-UHFFFAOYSA-N 2 2 318.852 3.052 20 0 DGADLP C[NH+](C)[C@H]1CCCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236921271 1099880823 /nfs/dbraw/zinc/88/08/23/1099880823.db2.gz GUXKTEBQIMFIHX-INIZCTEOSA-N 2 2 318.852 3.052 20 0 DGADLP C[NH+](C)CCC[N@H+](C)Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237000893 1099919878 /nfs/dbraw/zinc/91/98/78/1099919878.db2.gz XJLJFKIYLPUIFT-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP C[NH+](C)CCC[N@@H+](C)Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237000893 1099919886 /nfs/dbraw/zinc/91/98/86/1099919886.db2.gz XJLJFKIYLPUIFT-UHFFFAOYSA-N 2 2 301.409 3.271 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027759 1099934457 /nfs/dbraw/zinc/93/44/57/1099934457.db2.gz IPEYTXBPJMNDQH-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027759 1099934464 /nfs/dbraw/zinc/93/44/64/1099934464.db2.gz IPEYTXBPJMNDQH-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027759 1099934472 /nfs/dbraw/zinc/93/44/72/1099934472.db2.gz IPEYTXBPJMNDQH-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3OC(C)(C)C)C2)C1 ZINC001237027759 1099934481 /nfs/dbraw/zinc/93/44/81/1099934481.db2.gz IPEYTXBPJMNDQH-IBGZPJMESA-N 2 2 302.462 3.392 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082358 1099961130 /nfs/dbraw/zinc/96/11/30/1099961130.db2.gz PHNDOEONVLIGQL-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082358 1099961137 /nfs/dbraw/zinc/96/11/37/1099961137.db2.gz PHNDOEONVLIGQL-HNNXBMFYSA-N 2 2 311.267 3.318 20 0 DGADLP C[C@@H](C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141616 1099992870 /nfs/dbraw/zinc/99/28/70/1099992870.db2.gz IZSXWTHWUQYDTC-JXFKEZNVSA-N 2 2 310.441 3.008 20 0 DGADLP C[C@@H](C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2)c1cccc2ccccc21 ZINC001237141616 1099992878 /nfs/dbraw/zinc/99/28/78/1099992878.db2.gz IZSXWTHWUQYDTC-JXFKEZNVSA-N 2 2 310.441 3.008 20 0 DGADLP FC(F)Oc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237144103 1099994698 /nfs/dbraw/zinc/99/46/98/1099994698.db2.gz JCEKQDNUWDWBEY-HNNXBMFYSA-N 2 2 310.388 3.395 20 0 DGADLP FC(F)Oc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237144103 1099994711 /nfs/dbraw/zinc/99/47/11/1099994711.db2.gz JCEKQDNUWDWBEY-HNNXBMFYSA-N 2 2 310.388 3.395 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001237203641 1100031988 /nfs/dbraw/zinc/03/19/88/1100031988.db2.gz GXWIFJFIAOYPIF-WBMJQRKESA-N 2 2 301.821 3.324 20 0 DGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001237203641 1100031996 /nfs/dbraw/zinc/03/19/96/1100031996.db2.gz GXWIFJFIAOYPIF-WBMJQRKESA-N 2 2 301.821 3.324 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2ccncc2C(F)(F)F)CC1 ZINC001237293550 1100065439 /nfs/dbraw/zinc/06/54/39/1100065439.db2.gz XNYOIXNXYHJGIK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccncc2C(F)(F)F)CC1 ZINC001237293550 1100065444 /nfs/dbraw/zinc/06/54/44/1100065444.db2.gz XNYOIXNXYHJGIK-UHFFFAOYSA-N 2 2 301.356 3.017 20 0 DGADLP Fc1ccccc1CC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237299274 1100068213 /nfs/dbraw/zinc/06/82/13/1100068213.db2.gz CSEFHKKWNWWZPM-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP Fc1ccccc1CC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237299274 1100068219 /nfs/dbraw/zinc/06/82/19/1100068219.db2.gz CSEFHKKWNWWZPM-UHFFFAOYSA-N 2 2 310.416 3.463 20 0 DGADLP CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001237356789 1100093496 /nfs/dbraw/zinc/09/34/96/1100093496.db2.gz JJOSFQIVYBYBEP-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001237356789 1100093498 /nfs/dbraw/zinc/09/34/98/1100093498.db2.gz JJOSFQIVYBYBEP-UHFFFAOYSA-N 2 2 316.367 3.343 20 0 DGADLP CN(C)c1cccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001237366804 1100096342 /nfs/dbraw/zinc/09/63/42/1100096342.db2.gz URADLZUPPDJHSQ-UHFFFAOYSA-N 2 2 321.468 3.347 20 0 DGADLP c1cc(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cn2)cs1 ZINC001237392621 1100107619 /nfs/dbraw/zinc/10/76/19/1100107619.db2.gz OXZVVUMNIKINCN-YJBOKZPZSA-N 2 2 313.470 3.384 20 0 DGADLP c1cc(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cn2)cs1 ZINC001237392621 1100107625 /nfs/dbraw/zinc/10/76/25/1100107625.db2.gz OXZVVUMNIKINCN-YJBOKZPZSA-N 2 2 313.470 3.384 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1Br ZINC001237404710 1100112556 /nfs/dbraw/zinc/11/25/56/1100112556.db2.gz OYQKMJGQBPGFEL-ZFWWWQNUSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1Br ZINC001237404710 1100112561 /nfs/dbraw/zinc/11/25/61/1100112561.db2.gz OYQKMJGQBPGFEL-ZFWWWQNUSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(Br)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418268 1100120962 /nfs/dbraw/zinc/12/09/62/1100120962.db2.gz XOOXKSAVPIIGRR-XJKSGUPXSA-N 2 2 323.278 3.331 20 0 DGADLP Cc1cccc(Br)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418268 1100120972 /nfs/dbraw/zinc/12/09/72/1100120972.db2.gz XOOXKSAVPIIGRR-XJKSGUPXSA-N 2 2 323.278 3.331 20 0 DGADLP Clc1nccc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237418544 1100121934 /nfs/dbraw/zinc/12/19/34/1100121934.db2.gz XNIAQWFUDNOVIP-WBVHZDCISA-N 2 2 315.848 3.462 20 0 DGADLP Clc1nccc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237418544 1100121937 /nfs/dbraw/zinc/12/19/37/1100121937.db2.gz XNIAQWFUDNOVIP-WBVHZDCISA-N 2 2 315.848 3.462 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237552528 1100169657 /nfs/dbraw/zinc/16/96/57/1100169657.db2.gz QVXCECMLARKDQD-YLJYHZDGSA-N 2 2 307.441 3.132 20 0 DGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237552528 1100169663 /nfs/dbraw/zinc/16/96/63/1100169663.db2.gz QVXCECMLARKDQD-YLJYHZDGSA-N 2 2 307.441 3.132 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCOCC3(C)C)cc21 ZINC001237880862 1100280796 /nfs/dbraw/zinc/28/07/96/1100280796.db2.gz JOPXQVWKSLLGMN-UHFFFAOYSA-N 2 2 300.446 3.299 20 0 DGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOCC3(C)C)cc21 ZINC001237880862 1100280803 /nfs/dbraw/zinc/28/08/03/1100280803.db2.gz JOPXQVWKSLLGMN-UHFFFAOYSA-N 2 2 300.446 3.299 20 0 DGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c[nH+]cn21 ZINC001238112050 1100364092 /nfs/dbraw/zinc/36/40/92/1100364092.db2.gz AKAYRBAKNSOBEI-DLBZAZTESA-N 3 2 312.461 3.173 20 0 DGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc2c[nH+]cn21 ZINC001238112050 1100364106 /nfs/dbraw/zinc/36/41/06/1100364106.db2.gz AKAYRBAKNSOBEI-DLBZAZTESA-N 3 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112050 1100364117 /nfs/dbraw/zinc/36/41/17/1100364117.db2.gz AKAYRBAKNSOBEI-DLBZAZTESA-N 3 2 312.461 3.173 20 0 DGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238112050 1100364126 /nfs/dbraw/zinc/36/41/26/1100364126.db2.gz AKAYRBAKNSOBEI-DLBZAZTESA-N 3 2 312.461 3.173 20 0 DGADLP C[C@H]1CC[N@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205601669 1100625525 /nfs/dbraw/zinc/62/55/25/1100625525.db2.gz FYWBIEXWOSKIBD-IUCAKERBSA-N 2 2 322.321 3.189 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2c(F)c(F)c(F)c(F)c2F)CC[C@H]1C[NH3+] ZINC001205601669 1100625530 /nfs/dbraw/zinc/62/55/30/1100625530.db2.gz FYWBIEXWOSKIBD-IUCAKERBSA-N 2 2 322.321 3.189 20 0 DGADLP Cn1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c2ccccc21 ZINC001239531259 1100684220 /nfs/dbraw/zinc/68/42/20/1100684220.db2.gz QMBKIILSYAHKBV-UHFFFAOYSA-N 2 2 302.381 3.180 20 0 DGADLP COc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239722567 1100734461 /nfs/dbraw/zinc/73/44/61/1100734461.db2.gz HNYWCQOOEVDTBQ-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP COc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239722567 1100734463 /nfs/dbraw/zinc/73/44/63/1100734463.db2.gz HNYWCQOOEVDTBQ-MRXNPFEDSA-N 2 2 300.377 3.034 20 0 DGADLP c1cc(-c2ccc(C[NH+]3CCCC3)cc2)cc(N2CCOCC2)[nH+]1 ZINC001240050328 1100846002 /nfs/dbraw/zinc/84/60/02/1100846002.db2.gz AVYGBHFULRKHMV-UHFFFAOYSA-N 2 2 323.440 3.181 20 0 DGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1(O)CCCCCC1 ZINC001194123684 1100869843 /nfs/dbraw/zinc/86/98/43/1100869843.db2.gz JDAGDYIYBYKESZ-UHFFFAOYSA-N 2 2 308.466 3.119 20 0 DGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1(O)CCCCCC1 ZINC001194123684 1100869848 /nfs/dbraw/zinc/86/98/48/1100869848.db2.gz JDAGDYIYBYKESZ-UHFFFAOYSA-N 2 2 308.466 3.119 20 0 DGADLP C[NH+](CCC[N@H+](C)CC1(O)CCCCCC1)Cc1ccco1 ZINC001194123684 1100869856 /nfs/dbraw/zinc/86/98/56/1100869856.db2.gz JDAGDYIYBYKESZ-UHFFFAOYSA-N 2 2 308.466 3.119 20 0 DGADLP C[NH+](CCC[N@@H+](C)CC1(O)CCCCCC1)Cc1ccco1 ZINC001194123684 1100869860 /nfs/dbraw/zinc/86/98/60/1100869860.db2.gz JDAGDYIYBYKESZ-UHFFFAOYSA-N 2 2 308.466 3.119 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(-n4cccn4)c3)cc2)C1 ZINC001240250773 1100911019 /nfs/dbraw/zinc/91/10/19/1100911019.db2.gz UCSZFKCQXWWVTL-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(-n4cccn4)c3)cc2)C1 ZINC001240250773 1100911025 /nfs/dbraw/zinc/91/10/25/1100911025.db2.gz UCSZFKCQXWWVTL-IBGZPJMESA-N 2 2 318.424 3.072 20 0 DGADLP CC[C@H](C)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC001194376497 1100923326 /nfs/dbraw/zinc/92/33/26/1100923326.db2.gz GLNCFPMFIFGDSS-KRWDZBQOSA-N 2 2 312.461 3.097 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4ncsc4c3)cc2)C1 ZINC001240346160 1100950208 /nfs/dbraw/zinc/95/02/08/1100950208.db2.gz XNWOGUOWSOCZTG-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4ncsc4c3)cc2)C1 ZINC001240346160 1100950212 /nfs/dbraw/zinc/95/02/12/1100950212.db2.gz XNWOGUOWSOCZTG-MRXNPFEDSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4ncsc4c3)cc2)C1 ZINC001240346159 1100950588 /nfs/dbraw/zinc/95/05/88/1100950588.db2.gz XNWOGUOWSOCZTG-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4ncsc4c3)cc2)C1 ZINC001240346159 1100950593 /nfs/dbraw/zinc/95/05/93/1100950593.db2.gz XNWOGUOWSOCZTG-INIZCTEOSA-N 2 2 309.438 3.496 20 0 DGADLP COc1ccc(F)c(F)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240439575 1100995782 /nfs/dbraw/zinc/99/57/82/1100995782.db2.gz SWZKOGMFVASAFJ-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1ccc(F)c(F)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240439575 1100995789 /nfs/dbraw/zinc/99/57/89/1100995789.db2.gz SWZKOGMFVASAFJ-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP Cc1cc2cc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cnc2[nH]1 ZINC001240488377 1101017636 /nfs/dbraw/zinc/01/76/36/1101017636.db2.gz PDUKJBRRFKMXPZ-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2cc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cnc2[nH]1 ZINC001240488377 1101017642 /nfs/dbraw/zinc/01/76/42/1101017642.db2.gz PDUKJBRRFKMXPZ-SFHVURJKSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2cc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cnc2[nH]1 ZINC001240489462 1101018427 /nfs/dbraw/zinc/01/84/27/1101018427.db2.gz YPLIRSZZZRHRDI-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1cc2cc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cnc2[nH]1 ZINC001240489462 1101018434 /nfs/dbraw/zinc/01/84/34/1101018434.db2.gz YPLIRSZZZRHRDI-GOSISDBHSA-N 2 2 306.413 3.071 20 0 DGADLP c1cn2ccc(-c3ccc([C@]45CC[NH2+][C@@H]4COCC5)cc3)cc2[nH+]1 ZINC001240508909 1101028229 /nfs/dbraw/zinc/02/82/29/1101028229.db2.gz OXKUNODTLKWDJM-UYAOXDASSA-N 2 2 319.408 3.021 20 0 DGADLP c1cn2ccc(-c3ccc([C@@]45CC[NH2+][C@@H]4COCC5)cc3)cc2[nH+]1 ZINC001240508907 1101028315 /nfs/dbraw/zinc/02/83/15/1101028315.db2.gz OXKUNODTLKWDJM-QUCCMNQESA-N 2 2 319.408 3.021 20 0 DGADLP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccn4cc[nH+]c4c3)c2)CC1 ZINC001240513473 1101031340 /nfs/dbraw/zinc/03/13/40/1101031340.db2.gz UELHNXJOBCWLKL-UHFFFAOYSA-N 3 2 320.440 3.172 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(-c4cc[nH]n4)c3)cc2)C1 ZINC001240564312 1101051111 /nfs/dbraw/zinc/05/11/11/1101051111.db2.gz XVXICIOWMOGPLF-IBGZPJMESA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(-c4cc[nH]n4)c3)cc2)C1 ZINC001240564312 1101051118 /nfs/dbraw/zinc/05/11/18/1101051118.db2.gz XVXICIOWMOGPLF-IBGZPJMESA-N 2 2 318.424 3.277 20 0 DGADLP Cn1ccc2ccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc21 ZINC001240575796 1101056878 /nfs/dbraw/zinc/05/68/78/1101056878.db2.gz CRCHFJQUEDDVCU-SFHVURJKSA-N 2 2 305.425 3.378 20 0 DGADLP Cn1ccc2ccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc21 ZINC001240575796 1101056889 /nfs/dbraw/zinc/05/68/89/1101056889.db2.gz CRCHFJQUEDDVCU-SFHVURJKSA-N 2 2 305.425 3.378 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC001240774185 1101132668 /nfs/dbraw/zinc/13/26/68/1101132668.db2.gz BMEOYQYRKXOEJI-IBGZPJMESA-N 2 2 308.425 3.212 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC001240774185 1101132673 /nfs/dbraw/zinc/13/26/73/1101132673.db2.gz BMEOYQYRKXOEJI-IBGZPJMESA-N 2 2 308.425 3.212 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441079 1101134482 /nfs/dbraw/zinc/13/44/82/1101134482.db2.gz SOUYZTONXRYBOM-MSOLQXFVSA-N 2 2 308.510 3.192 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1(CO)CC=CC1 ZINC001195441079 1101134484 /nfs/dbraw/zinc/13/44/84/1101134484.db2.gz SOUYZTONXRYBOM-MSOLQXFVSA-N 2 2 308.510 3.192 20 0 DGADLP CNc1cc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc[nH+]1 ZINC001240866415 1101164830 /nfs/dbraw/zinc/16/48/30/1101164830.db2.gz JGGFPQNWEDGSOG-UHFFFAOYSA-N 2 2 309.413 3.112 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4cccnc43)c2)C1 ZINC001240895921 1101172447 /nfs/dbraw/zinc/17/24/47/1101172447.db2.gz LLNHEABHPVOXPP-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4cccnc43)c2)C1 ZINC001240895921 1101172451 /nfs/dbraw/zinc/17/24/51/1101172451.db2.gz LLNHEABHPVOXPP-SFHVURJKSA-N 2 2 303.409 3.435 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001240956627 1101195919 /nfs/dbraw/zinc/19/59/19/1101195919.db2.gz FAEKFLZPFGMZHN-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1cc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001240956627 1101195922 /nfs/dbraw/zinc/19/59/22/1101195922.db2.gz FAEKFLZPFGMZHN-CQSZACIVSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(C)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1C ZINC001241016876 1101222218 /nfs/dbraw/zinc/22/22/18/1101222218.db2.gz RRJLFMVODNBUCO-UHFFFAOYSA-N 2 2 307.397 3.314 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(F)ccc(F)c3F)cc2)C1 ZINC001241049934 1101235373 /nfs/dbraw/zinc/23/53/73/1101235373.db2.gz SJSHFNLDHUYUKC-CYBMUJFWSA-N 2 2 306.331 3.304 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(F)ccc(F)c3F)cc2)C1 ZINC001241049934 1101235381 /nfs/dbraw/zinc/23/53/81/1101235381.db2.gz SJSHFNLDHUYUKC-CYBMUJFWSA-N 2 2 306.331 3.304 20 0 DGADLP CCOc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001241086652 1101248023 /nfs/dbraw/zinc/24/80/23/1101248023.db2.gz GCUQWWGMLOAYBQ-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP CCOc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001241086652 1101248030 /nfs/dbraw/zinc/24/80/30/1101248030.db2.gz GCUQWWGMLOAYBQ-QGZVFWFLSA-N 2 2 314.404 3.424 20 0 DGADLP Nc1cc(-c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)cc[nH+]1 ZINC001241169628 1101283376 /nfs/dbraw/zinc/28/33/76/1101283376.db2.gz IWNMMMOYXQIYPI-IRXDYDNUSA-N 2 2 315.392 3.256 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccc(Cl)cc3[nH]2)CCC1(F)F ZINC001205787352 1101394818 /nfs/dbraw/zinc/39/48/18/1101394818.db2.gz GDDJZIMJXHDHAA-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccc(Cl)cc3[nH]2)CCC1(F)F ZINC001205787352 1101394827 /nfs/dbraw/zinc/39/48/27/1101394827.db2.gz GDDJZIMJXHDHAA-LLVKDONJSA-N 2 2 313.779 3.237 20 0 DGADLP Oc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001203861189 1101409571 /nfs/dbraw/zinc/40/95/71/1101409571.db2.gz RMUKIPNZDAGYBO-HZPDHXFCSA-N 2 2 314.454 3.018 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(-n3cccn3)cc2)C1 ZINC001241394411 1101430302 /nfs/dbraw/zinc/43/03/02/1101430302.db2.gz OXJLPFAOSMVACP-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(-n3cccn3)cc2)C1 ZINC001241394411 1101430309 /nfs/dbraw/zinc/43/03/09/1101430309.db2.gz OXJLPFAOSMVACP-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP Cc1n[nH]c2cc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)ccc12 ZINC001241641202 1101602278 /nfs/dbraw/zinc/60/22/78/1101602278.db2.gz KKMQFOSNOLLRFO-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP Cc1n[nH]c2cc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)ccc12 ZINC001241641202 1101602281 /nfs/dbraw/zinc/60/22/81/1101602281.db2.gz KKMQFOSNOLLRFO-INIZCTEOSA-N 2 2 306.413 3.071 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4ccncc4c3)c2)C1 ZINC001241677552 1101628083 /nfs/dbraw/zinc/62/80/83/1101628083.db2.gz MSHHFCOKNVWPQQ-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4ccncc4c3)c2)C1 ZINC001241677552 1101628089 /nfs/dbraw/zinc/62/80/89/1101628089.db2.gz MSHHFCOKNVWPQQ-HXUWFJFHSA-N 2 2 303.409 3.435 20 0 DGADLP CC[NH+]1CCN(c2ccc(-c3ccc4[nH+]c(C)cn4c3)cc2)CC1 ZINC001241743218 1101673567 /nfs/dbraw/zinc/67/35/67/1101673567.db2.gz LQIGQEXDYFUHCM-UHFFFAOYSA-N 2 2 320.440 3.452 20 0 DGADLP c1cc2c[nH+]c(-c3ccc(OCC[NH+]4CCCCC4)cc3)nc2[nH]1 ZINC001241756910 1101687294 /nfs/dbraw/zinc/68/72/94/1101687294.db2.gz QLKBBONEKIFMQC-UHFFFAOYSA-N 2 2 322.412 3.441 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3c(c2)CCCN3)C1 ZINC001241837597 1101741128 /nfs/dbraw/zinc/74/11/28/1101741128.db2.gz XHZFPOGAKOFILF-GOSISDBHSA-N 2 2 307.441 3.245 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3c(c2)CCCN3)C1 ZINC001241837597 1101741144 /nfs/dbraw/zinc/74/11/44/1101741144.db2.gz XHZFPOGAKOFILF-GOSISDBHSA-N 2 2 307.441 3.245 20 0 DGADLP COc1cccc2[nH]c(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc21 ZINC001241999743 1101850229 /nfs/dbraw/zinc/85/02/29/1101850229.db2.gz PRUJJUPWEBUYGL-OAHLLOKOSA-N 2 2 321.424 3.377 20 0 DGADLP COc1cccc2[nH]c(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc21 ZINC001241999743 1101850251 /nfs/dbraw/zinc/85/02/51/1101850251.db2.gz PRUJJUPWEBUYGL-OAHLLOKOSA-N 2 2 321.424 3.377 20 0 DGADLP CO[C@H](C)c1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001242022864 1101862745 /nfs/dbraw/zinc/86/27/45/1101862745.db2.gz ACACEHCTSBMRFW-CYBMUJFWSA-N 2 2 307.397 3.396 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)OCCCO4)cc2)C1 ZINC001242208379 1101980808 /nfs/dbraw/zinc/98/08/08/1101980808.db2.gz XSCCRLQSJJWZOH-GOSISDBHSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)OCCCO4)cc2)C1 ZINC001242208379 1101980810 /nfs/dbraw/zinc/98/08/10/1101980810.db2.gz XSCCRLQSJJWZOH-GOSISDBHSA-N 2 2 324.424 3.048 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3cccnc3c2)C1 ZINC001242252825 1102009624 /nfs/dbraw/zinc/00/96/24/1102009624.db2.gz KVILMKUQPSEHBH-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cccnc3c2)C1 ZINC001242252825 1102009636 /nfs/dbraw/zinc/00/96/36/1102009636.db2.gz KVILMKUQPSEHBH-GOSISDBHSA-N 2 2 303.409 3.435 20 0 DGADLP Cc1c(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001242288291 1102031264 /nfs/dbraw/zinc/03/12/64/1102031264.db2.gz FUWGCWVJDYTUSM-INIZCTEOSA-N 2 2 302.368 3.473 20 0 DGADLP Cc1c(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001242288291 1102031276 /nfs/dbraw/zinc/03/12/76/1102031276.db2.gz FUWGCWVJDYTUSM-INIZCTEOSA-N 2 2 302.368 3.473 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC001199178945 1102079661 /nfs/dbraw/zinc/07/96/61/1102079661.db2.gz OCIPASVPGXWEPP-RHSMWYFYSA-N 2 2 301.459 3.305 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccnc3C(F)(F)F)cc2)C1 ZINC001242376583 1102089060 /nfs/dbraw/zinc/08/90/60/1102089060.db2.gz IRNIABAXMAREDK-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccnc3C(F)(F)F)cc2)C1 ZINC001242376583 1102089071 /nfs/dbraw/zinc/08/90/71/1102089071.db2.gz IRNIABAXMAREDK-CQSZACIVSA-N 2 2 321.346 3.300 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)C1 ZINC001242441708 1102135706 /nfs/dbraw/zinc/13/57/06/1102135706.db2.gz KFTGVBSFQGFPIZ-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)C1 ZINC001242441708 1102135713 /nfs/dbraw/zinc/13/57/13/1102135713.db2.gz KFTGVBSFQGFPIZ-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP COc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242483415 1102162035 /nfs/dbraw/zinc/16/20/35/1102162035.db2.gz GEMDCSCDTKJDIR-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP COc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242483415 1102162039 /nfs/dbraw/zinc/16/20/39/1102162039.db2.gz GEMDCSCDTKJDIR-OAHLLOKOSA-N 2 2 300.377 3.034 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@H]2CCCOC2)c2ccccc2)CC1 ZINC001199640770 1102174693 /nfs/dbraw/zinc/17/46/93/1102174693.db2.gz XGIYCKBLIYHKNM-QUCCMNQESA-N 2 2 316.489 3.476 20 0 DGADLP CC(C)(O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001242625946 1102248665 /nfs/dbraw/zinc/24/86/65/1102248665.db2.gz MAFAIRFZGWTNBJ-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001242625946 1102248677 /nfs/dbraw/zinc/24/86/77/1102248677.db2.gz MAFAIRFZGWTNBJ-IBGZPJMESA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242625363 1102249112 /nfs/dbraw/zinc/24/91/12/1102249112.db2.gz FLWPGFKPTMJRFQ-GOSISDBHSA-N 2 2 310.441 3.114 20 0 DGADLP CC(C)(O)c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242625363 1102249118 /nfs/dbraw/zinc/24/91/18/1102249118.db2.gz FLWPGFKPTMJRFQ-GOSISDBHSA-N 2 2 310.441 3.114 20 0 DGADLP Cc1noc(C)c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001199924437 1102249256 /nfs/dbraw/zinc/24/92/56/1102249256.db2.gz GRABKEKXZOWRJD-UHFFFAOYSA-N 2 2 305.466 3.426 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3-n3cccn3)c2)C1 ZINC001242713095 1102301879 /nfs/dbraw/zinc/30/18/79/1102301879.db2.gz PFVYWJWFKRYHOT-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3-n3cccn3)c2)C1 ZINC001242713095 1102301891 /nfs/dbraw/zinc/30/18/91/1102301891.db2.gz PFVYWJWFKRYHOT-SFHVURJKSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2-n2cccn2)C1 ZINC001242713163 1102302494 /nfs/dbraw/zinc/30/24/94/1102302494.db2.gz SUEFJUCSDBLCOW-KRWDZBQOSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2-n2cccn2)C1 ZINC001242713163 1102302503 /nfs/dbraw/zinc/30/25/03/1102302503.db2.gz SUEFJUCSDBLCOW-KRWDZBQOSA-N 2 2 318.424 3.072 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(OC3CC3)c2)C1 ZINC001242806824 1102355836 /nfs/dbraw/zinc/35/58/36/1102355836.db2.gz UURAXMJGMAMUBQ-KRWDZBQOSA-N 2 2 308.425 3.428 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(OC3CC3)c2)C1 ZINC001242806824 1102355849 /nfs/dbraw/zinc/35/58/49/1102355849.db2.gz UURAXMJGMAMUBQ-KRWDZBQOSA-N 2 2 308.425 3.428 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Br)cs1 ZINC001205904414 1102450154 /nfs/dbraw/zinc/45/01/54/1102450154.db2.gz UXXCAUZEIBNCPO-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Br)cs1 ZINC001205904414 1102450156 /nfs/dbraw/zinc/45/01/56/1102450156.db2.gz UXXCAUZEIBNCPO-ZJUUUORDSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@H]([NH3+])c1ccc(-c2cc(F)ccc2C[NH+]2CCOCC2)cc1 ZINC001243087441 1102517751 /nfs/dbraw/zinc/51/77/51/1102517751.db2.gz LLYWLXQSYJKQRM-AWEZNQCLSA-N 2 2 314.404 3.345 20 0 DGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001203968303 1102594410 /nfs/dbraw/zinc/59/44/10/1102594410.db2.gz CTNCLZASKKRKCU-UHFFFAOYSA-N 2 2 320.452 3.484 20 0 DGADLP COc1c(F)c(F)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243304717 1102645716 /nfs/dbraw/zinc/64/57/16/1102645716.db2.gz LTNWPHOQSYYPLR-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP COc1c(F)c(F)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001243304717 1102645720 /nfs/dbraw/zinc/64/57/20/1102645720.db2.gz LTNWPHOQSYYPLR-AWEZNQCLSA-N 2 2 318.367 3.173 20 0 DGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527759 1102647137 /nfs/dbraw/zinc/64/71/37/1102647137.db2.gz DGLCJAJWQQSVSB-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201527759 1102647139 /nfs/dbraw/zinc/64/71/39/1102647139.db2.gz DGLCJAJWQQSVSB-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201527759 1102647150 /nfs/dbraw/zinc/64/71/50/1102647150.db2.gz DGLCJAJWQQSVSB-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP CCC(CC)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201527759 1102647159 /nfs/dbraw/zinc/64/71/59/1102647159.db2.gz DGLCJAJWQQSVSB-HZPDHXFCSA-N 2 2 307.507 3.476 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(OC(F)F)c3)c2)C1 ZINC001243359715 1102681606 /nfs/dbraw/zinc/68/16/06/1102681606.db2.gz METAUHPLUXVYMV-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(OC(F)F)c3)c2)C1 ZINC001243359715 1102681608 /nfs/dbraw/zinc/68/16/08/1102681608.db2.gz METAUHPLUXVYMV-INIZCTEOSA-N 2 2 318.367 3.488 20 0 DGADLP CCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001201750558 1102714552 /nfs/dbraw/zinc/71/45/52/1102714552.db2.gz NWINVNVZJFBISQ-UHFFFAOYSA-N 2 2 304.482 3.265 20 0 DGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077554 1102838664 /nfs/dbraw/zinc/83/86/64/1102838664.db2.gz IZPPLQVZVXHKDL-HUUCEWRRSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202077554 1102838676 /nfs/dbraw/zinc/83/86/76/1102838676.db2.gz IZPPLQVZVXHKDL-HUUCEWRRSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202077554 1102838689 /nfs/dbraw/zinc/83/86/89/1102838689.db2.gz IZPPLQVZVXHKDL-HUUCEWRRSA-N 2 2 307.507 3.476 20 0 DGADLP CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202077554 1102838708 /nfs/dbraw/zinc/83/87/08/1102838708.db2.gz IZPPLQVZVXHKDL-HUUCEWRRSA-N 2 2 307.507 3.476 20 0 DGADLP c1cn(Cc2ccc(-c3ccccc3N3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001243659304 1102892244 /nfs/dbraw/zinc/89/22/44/1102892244.db2.gz REUAJCUYWGSNLI-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP Nc1[nH+]ccn1-c1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243662934 1102895219 /nfs/dbraw/zinc/89/52/19/1102895219.db2.gz QWPATPLYADIFEH-UHFFFAOYSA-N 2 2 315.380 3.366 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(C4CC4)cnc3F)cc2)C1 ZINC001243865861 1103018091 /nfs/dbraw/zinc/01/80/91/1103018091.db2.gz CLHKUYBJPKJCTL-QGZVFWFLSA-N 2 2 311.404 3.298 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C4CC4)cnc3F)cc2)C1 ZINC001243865861 1103018097 /nfs/dbraw/zinc/01/80/97/1103018097.db2.gz CLHKUYBJPKJCTL-QGZVFWFLSA-N 2 2 311.404 3.298 20 0 DGADLP c1c[nH]c(-c2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2)n1 ZINC001243977426 1103101938 /nfs/dbraw/zinc/10/19/38/1103101938.db2.gz GPSZTMSSUNYELW-UHFFFAOYSA-N 2 2 315.380 3.078 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4ncc[nH]4)cc3)cc2)C1 ZINC001243978057 1103102276 /nfs/dbraw/zinc/10/22/76/1103102276.db2.gz GAXJCLWHKFTYCD-LJQANCHMSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4ncc[nH]4)cc3)cc2)C1 ZINC001243978057 1103102281 /nfs/dbraw/zinc/10/22/81/1103102281.db2.gz GAXJCLWHKFTYCD-LJQANCHMSA-N 2 2 318.424 3.277 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4c(c3)CCCC4=O)cc2)C1 ZINC001243992842 1103113113 /nfs/dbraw/zinc/11/31/13/1103113113.db2.gz SSVANWMCHHQLNH-LJQANCHMSA-N 2 2 320.436 3.406 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4c(c3)CCCC4=O)cc2)C1 ZINC001243992842 1103113114 /nfs/dbraw/zinc/11/31/14/1103113114.db2.gz SSVANWMCHHQLNH-LJQANCHMSA-N 2 2 320.436 3.406 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC[C@H](F)C1 ZINC001325876575 1103145540 /nfs/dbraw/zinc/14/55/40/1103145540.db2.gz BFCOUOPKIRSWNA-STQMWFEESA-N 2 2 302.353 3.043 20 0 DGADLP CC[NH+](CC)C1CC[NH+](CCOCc2ccc(OC)cc2)CC1 ZINC001326994121 1103496131 /nfs/dbraw/zinc/49/61/31/1103496131.db2.gz ANRWMYHHPIZNMT-UHFFFAOYSA-N 2 2 320.477 3.018 20 0 DGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(Cl)c3CO)c2)C1 ZINC001244577407 1103534614 /nfs/dbraw/zinc/53/46/14/1103534614.db2.gz WCYSJMOJXPRAGC-HNNXBMFYSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(Cl)c3CO)c2)C1 ZINC001244577407 1103534624 /nfs/dbraw/zinc/53/46/24/1103534624.db2.gz WCYSJMOJXPRAGC-HNNXBMFYSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(Cl)c2CO)C1 ZINC001244576425 1103534780 /nfs/dbraw/zinc/53/47/80/1103534780.db2.gz OZIIIYCSWSRPAH-CQSZACIVSA-N 2 2 316.832 3.032 20 0 DGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Cl)c2CO)C1 ZINC001244576425 1103534789 /nfs/dbraw/zinc/53/47/89/1103534789.db2.gz OZIIIYCSWSRPAH-CQSZACIVSA-N 2 2 316.832 3.032 20 0 DGADLP c1[nH]nc2cc(C[N@@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)ccc12 ZINC001276378195 1103699381 /nfs/dbraw/zinc/69/93/81/1103699381.db2.gz MOQNVYGEWNKWTB-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP c1[nH]nc2cc(C[N@H+]3CCCC4(C[NH+](C5CCCC5)C4)C3)ccc12 ZINC001276378195 1103699387 /nfs/dbraw/zinc/69/93/87/1103699387.db2.gz MOQNVYGEWNKWTB-UHFFFAOYSA-N 2 2 324.472 3.403 20 0 DGADLP CSc1ncc(C)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244886001 1103743930 /nfs/dbraw/zinc/74/39/30/1103743930.db2.gz YMVMVICHUOXESA-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP CSc1ncc(C)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244886001 1103743941 /nfs/dbraw/zinc/74/39/41/1103743941.db2.gz YMVMVICHUOXESA-INIZCTEOSA-N 2 2 313.470 3.312 20 0 DGADLP CCCOc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001245232247 1103922251 /nfs/dbraw/zinc/92/22/51/1103922251.db2.gz ZZJHZUJUNNRGOF-SFHVURJKSA-N 2 2 311.429 3.070 20 0 DGADLP CCCOc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001245232247 1103922262 /nfs/dbraw/zinc/92/22/62/1103922262.db2.gz ZZJHZUJUNNRGOF-SFHVURJKSA-N 2 2 311.429 3.070 20 0 DGADLP c1cc([C@H]2CCC[NH2+]2)ccc1-c1cncc(C[NH+]2CCOCC2)c1 ZINC001245251903 1103939480 /nfs/dbraw/zinc/93/94/80/1103939480.db2.gz WOMBFTJVPSBGCI-HXUWFJFHSA-N 2 2 323.440 3.005 20 0 DGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccc([C@H]4CCC[NH2+]4)cc3)ccn12 ZINC001245349254 1103997295 /nfs/dbraw/zinc/99/72/95/1103997295.db2.gz CTPGPVJGHQKQJE-GOSISDBHSA-N 3 2 318.424 3.113 20 0 DGADLP Cc1[nH+]cn(-c2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)nn2)c1C ZINC001245350529 1103999479 /nfs/dbraw/zinc/99/94/79/1103999479.db2.gz SYAKDPNBXJWGOA-KRWDZBQOSA-N 2 2 319.412 3.371 20 0 DGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001253202773 1104039243 /nfs/dbraw/zinc/03/92/43/1104039243.db2.gz NIXHDRUGZGVIET-WCQYABFASA-N 2 2 319.276 3.347 20 0 DGADLP Fc1ccc2[nH]c(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2c1 ZINC001245576255 1104133708 /nfs/dbraw/zinc/13/37/08/1104133708.db2.gz VUEVJUMFHNHKNV-UHFFFAOYSA-N 2 2 306.344 3.309 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001246077689 1104371823 /nfs/dbraw/zinc/37/18/23/1104371823.db2.gz UBJDRCWIRQWRKM-CRAIPNDOSA-N 2 2 302.368 3.112 20 0 DGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC001246077294 1104372656 /nfs/dbraw/zinc/37/26/56/1104372656.db2.gz SFNKHVCZYRKYPJ-CRAIPNDOSA-N 2 2 300.833 3.487 20 0 DGADLP CC[C@H]1CC([NH2+]Cc2cc(F)cc(F)c2OC)C[C@H](CC)[NH2+]1 ZINC001246078180 1104373063 /nfs/dbraw/zinc/37/30/63/1104373063.db2.gz VVWODVQUOCQSDH-KBPBESRZSA-N 2 2 312.404 3.372 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001329735221 1104374683 /nfs/dbraw/zinc/37/46/83/1104374683.db2.gz LBRLZXQBRHNWEP-AWEZNQCLSA-N 2 2 309.885 3.228 20 0 DGADLP CN(C)c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001329735221 1104374693 /nfs/dbraw/zinc/37/46/93/1104374693.db2.gz LBRLZXQBRHNWEP-AWEZNQCLSA-N 2 2 309.885 3.228 20 0 DGADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246089781 1104378279 /nfs/dbraw/zinc/37/82/79/1104378279.db2.gz DRQOKOQRJODXLU-NKZPBKNFSA-N 2 2 320.786 3.229 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC[NH2+]1 ZINC001246084136 1104378399 /nfs/dbraw/zinc/37/83/99/1104378399.db2.gz OHRZAIMWIMDOFG-GFCCVEGCSA-N 2 2 320.330 3.345 20 0 DGADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088788 1104379100 /nfs/dbraw/zinc/37/91/00/1104379100.db2.gz XOXOKJPHFPRFEJ-YUELXQCFSA-N 2 2 314.470 3.360 20 0 DGADLP C[NH2+]CC[C@@H](C)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001246116333 1104394012 /nfs/dbraw/zinc/39/40/12/1104394012.db2.gz YZJSPYKSABFIQZ-QGZVFWFLSA-N 2 2 323.484 3.048 20 0 DGADLP COc1ccc2cc(CC[C@@H](C)[NH2+][C@]34C[C@H]3C[NH2+]C4)ccc2c1 ZINC001246132913 1104401607 /nfs/dbraw/zinc/40/16/07/1104401607.db2.gz FWLURMKEZYARSX-WNYOCNMUSA-N 2 2 310.441 3.121 20 0 DGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)CC[NH2+]1 ZINC001246163003 1104411287 /nfs/dbraw/zinc/41/12/87/1104411287.db2.gz UQKDFDSYAYWHBX-NHYWBVRUSA-N 2 2 300.368 3.360 20 0 DGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)CC2 ZINC001246172065 1104419373 /nfs/dbraw/zinc/41/93/73/1104419373.db2.gz VXCGOVUBLYVQHA-KRWDZBQOSA-N 2 2 316.395 3.202 20 0 DGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC001246197056 1104434205 /nfs/dbraw/zinc/43/42/05/1104434205.db2.gz OMZYZKPPVSWQKE-STQMWFEESA-N 2 2 304.331 3.465 20 0 DGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246204874 1104436842 /nfs/dbraw/zinc/43/68/42/1104436842.db2.gz HXZVCZLRDSUCSD-BYCMXARLSA-N 2 2 317.235 3.140 20 0 DGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(OC)c2F)CC[NH2+]1 ZINC001246221630 1104443668 /nfs/dbraw/zinc/44/36/68/1104443668.db2.gz DVNSTJOCWODFAG-KBPBESRZSA-N 2 2 312.404 3.374 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246226756 1104447643 /nfs/dbraw/zinc/44/76/43/1104447643.db2.gz UBJLGZZFMDMFFJ-CHWSQXEVSA-N 2 2 304.331 3.465 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C(O)(c1ccccc1)c1ccccc1 ZINC001246251804 1104459069 /nfs/dbraw/zinc/45/90/69/1104459069.db2.gz UBEZGEBIDBDANM-YLJYHZDGSA-N 2 2 324.468 3.043 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C[NH2+]1 ZINC001246264355 1104466115 /nfs/dbraw/zinc/46/61/15/1104466115.db2.gz KKOGOZPFVJWMLE-DGFSRKRXSA-N 2 2 309.251 3.167 20 0 DGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc2C1)c1ccccc1 ZINC001246278184 1104470934 /nfs/dbraw/zinc/47/09/34/1104470934.db2.gz FATDJCJTTDVXSO-ZWKOTPCHSA-N 2 2 300.833 3.487 20 0 DGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCCCC3)C1)CO2 ZINC001246277483 1104471151 /nfs/dbraw/zinc/47/11/51/1104471151.db2.gz HTFWCGGYDLQNLJ-GOEBONIOSA-N 2 2 304.409 3.304 20 0 DGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C[NH2+]1 ZINC001246285214 1104474312 /nfs/dbraw/zinc/47/43/12/1104474312.db2.gz GTJIFDKZKUPTSV-GWCFXTLKSA-N 2 2 312.339 3.098 20 0 DGADLP Oc1cccc(-c2ccc([C@H]3C[C@@H]3[NH2+][C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001246293410 1104475361 /nfs/dbraw/zinc/47/53/61/1104475361.db2.gz ZPUROMKWKDCFGJ-RLLQIKCJSA-N 2 2 308.425 3.257 20 0 DGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)o2)C[C@H](CC)[NH2+]1 ZINC001246324091 1104489589 /nfs/dbraw/zinc/48/95/89/1104489589.db2.gz FOVIXCHHSHGLIF-GDNZZTSVSA-N 2 2 315.255 3.441 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2Cl)CC[NH2+]1 ZINC001246323249 1104489103 /nfs/dbraw/zinc/48/91/03/1104489103.db2.gz DHJKAFMGMYCKGN-MWLCHTKSSA-N 2 2 317.658 3.333 20 0 DGADLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC001246349890 1104501962 /nfs/dbraw/zinc/50/19/62/1104501962.db2.gz HTNDMURCHYHOKU-WOJBJXKFSA-N 3 2 321.553 3.397 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC001246349889 1104502572 /nfs/dbraw/zinc/50/25/72/1104502572.db2.gz HTNDMURCHYHOKU-VQTJNVASSA-N 3 2 321.553 3.397 20 0 DGADLP COc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1OC ZINC001246353152 1104504345 /nfs/dbraw/zinc/50/43/45/1104504345.db2.gz USXNDPYYNUYGFB-GMXVVIOVSA-N 2 2 312.841 3.148 20 0 DGADLP C[N@@H+]1CCC2(C[NH+](CCCc3cccc(Br)c3)C2)C1 ZINC001274886239 1104528889 /nfs/dbraw/zinc/52/88/89/1104528889.db2.gz SGFXEKXOQGARNE-UHFFFAOYSA-N 2 2 323.278 3.019 20 0 DGADLP C[N@H+]1CCC2(C[NH+](CCCc3cccc(Br)c3)C2)C1 ZINC001274886239 1104528899 /nfs/dbraw/zinc/52/88/99/1104528899.db2.gz SGFXEKXOQGARNE-UHFFFAOYSA-N 2 2 323.278 3.019 20 0 DGADLP Fc1cccc([C@@H](CC2CCOCC2)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246409962 1104531147 /nfs/dbraw/zinc/53/11/47/1104531147.db2.gz VMDCLVYTGOAPOA-RTBURBONSA-N 2 2 320.452 3.415 20 0 DGADLP CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)CCCCC1 ZINC001274905291 1104537938 /nfs/dbraw/zinc/53/79/38/1104537938.db2.gz CDXAMNPHCJCQEL-HDICACEKSA-N 2 2 316.493 3.002 20 0 DGADLP CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)CCCCC1 ZINC001274905291 1104537945 /nfs/dbraw/zinc/53/79/45/1104537945.db2.gz CDXAMNPHCJCQEL-HDICACEKSA-N 2 2 316.493 3.002 20 0 DGADLP CC1(C[NH+]2CC3(C2)CC[N@H+](Cc2ccc[nH]2)C3)CCCCC1 ZINC001274906154 1104538173 /nfs/dbraw/zinc/53/81/73/1104538173.db2.gz PGQUJZUSXSOFOV-UHFFFAOYSA-N 2 2 301.478 3.493 20 0 DGADLP CC1(C[NH+]2CC3(C2)CC[N@@H+](Cc2ccc[nH]2)C3)CCCCC1 ZINC001274906154 1104538180 /nfs/dbraw/zinc/53/81/80/1104538180.db2.gz PGQUJZUSXSOFOV-UHFFFAOYSA-N 2 2 301.478 3.493 20 0 DGADLP CC1(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)CCCCC1 ZINC001274905702 1104539066 /nfs/dbraw/zinc/53/90/66/1104539066.db2.gz HYSVSNVYUZBVCG-ROUUACIJSA-N 2 2 316.493 3.002 20 0 DGADLP CC1(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)CCCCC1 ZINC001274905702 1104539072 /nfs/dbraw/zinc/53/90/72/1104539072.db2.gz HYSVSNVYUZBVCG-ROUUACIJSA-N 2 2 316.493 3.002 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001274952794 1104555094 /nfs/dbraw/zinc/55/50/94/1104555094.db2.gz JHCKMFWQGGVFBR-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001274952794 1104555103 /nfs/dbraw/zinc/55/51/03/1104555103.db2.gz JHCKMFWQGGVFBR-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccc(F)cc1Cl)C2 ZINC001274952794 1104555111 /nfs/dbraw/zinc/55/51/11/1104555111.db2.gz JHCKMFWQGGVFBR-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccc(F)cc1Cl)C2 ZINC001274952794 1104555119 /nfs/dbraw/zinc/55/51/19/1104555119.db2.gz JHCKMFWQGGVFBR-KRWDZBQOSA-N 2 2 310.844 3.439 20 0 DGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccc(Br)cc2)C[NH2+]1 ZINC001246511734 1104570974 /nfs/dbraw/zinc/57/09/74/1104570974.db2.gz CVQKZKLFTALWGU-AQNFWKISSA-N 2 2 309.251 3.035 20 0 DGADLP CCCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246522404 1104575754 /nfs/dbraw/zinc/57/57/54/1104575754.db2.gz CNBGHQNYLLRWMQ-PBHICJAKSA-N 2 2 306.450 3.422 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC001246527137 1104577498 /nfs/dbraw/zinc/57/74/98/1104577498.db2.gz RUQIJOPFGGLNEF-PBHICJAKSA-N 2 2 306.450 3.277 20 0 DGADLP COC(=O)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCC(C)(C)C2)cc1 ZINC001246527087 1104578268 /nfs/dbraw/zinc/57/82/68/1104578268.db2.gz RSEODPVQPHAXLY-HOTGVXAUSA-N 2 2 304.434 3.031 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535102 1104582467 /nfs/dbraw/zinc/58/24/67/1104582467.db2.gz VVARZNZMPCKLAQ-IUODEOHRSA-N 2 2 323.278 3.193 20 0 DGADLP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535102 1104582475 /nfs/dbraw/zinc/58/24/75/1104582475.db2.gz VVARZNZMPCKLAQ-IUODEOHRSA-N 2 2 323.278 3.193 20 0 DGADLP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCCC2)c[nH+]1 ZINC001275039628 1104590064 /nfs/dbraw/zinc/59/00/64/1104590064.db2.gz PSDMKFFOJWUFQI-YQQQUEKLSA-N 3 2 316.493 3.048 20 0 DGADLP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCCC2)c[nH+]1 ZINC001275039628 1104590072 /nfs/dbraw/zinc/59/00/72/1104590072.db2.gz PSDMKFFOJWUFQI-YQQQUEKLSA-N 3 2 316.493 3.048 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246574247 1104602441 /nfs/dbraw/zinc/60/24/41/1104602441.db2.gz FVZOSBGCIQFVSE-QAPCUYQASA-N 2 2 308.441 3.169 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246574247 1104602450 /nfs/dbraw/zinc/60/24/50/1104602450.db2.gz FVZOSBGCIQFVSE-QAPCUYQASA-N 2 2 308.441 3.169 20 0 DGADLP CCC[C@@H](C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074305 1104610524 /nfs/dbraw/zinc/61/05/24/1104610524.db2.gz QKBVXZLUWJBQFJ-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@@H](C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275074305 1104610529 /nfs/dbraw/zinc/61/05/29/1104610529.db2.gz QKBVXZLUWJBQFJ-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074305 1104610533 /nfs/dbraw/zinc/61/05/33/1104610533.db2.gz QKBVXZLUWJBQFJ-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CCC[C@@H](C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275074305 1104610540 /nfs/dbraw/zinc/61/05/40/1104610540.db2.gz QKBVXZLUWJBQFJ-AEFFLSMTSA-N 2 2 304.482 3.134 20 0 DGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275077446 1104615515 /nfs/dbraw/zinc/61/55/15/1104615515.db2.gz USNPSOSHIMURHB-CEXWTWQISA-N 2 2 318.509 3.106 20 0 DGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275077446 1104615522 /nfs/dbraw/zinc/61/55/22/1104615522.db2.gz USNPSOSHIMURHB-CEXWTWQISA-N 2 2 318.509 3.106 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246612102 1104626574 /nfs/dbraw/zinc/62/65/74/1104626574.db2.gz HHZUIXKDZPTYLU-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)C2 ZINC001246612102 1104626579 /nfs/dbraw/zinc/62/65/79/1104626579.db2.gz HHZUIXKDZPTYLU-VQIMIIECSA-N 2 2 320.427 3.430 20 0 DGADLP c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613740 1104628466 /nfs/dbraw/zinc/62/84/66/1104628466.db2.gz MDCPWOKCGSAPPW-AEFFLSMTSA-N 2 2 302.487 3.312 20 0 DGADLP c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CS2 ZINC001246613740 1104628471 /nfs/dbraw/zinc/62/84/71/1104628471.db2.gz MDCPWOKCGSAPPW-AEFFLSMTSA-N 2 2 302.487 3.312 20 0 DGADLP COc1cccc(C[C@H](C)[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001246613769 1104628651 /nfs/dbraw/zinc/62/86/51/1104628651.db2.gz MGEWOTWONWNFQX-QFBILLFUSA-N 2 2 302.462 3.234 20 0 DGADLP COc1cccc(C[C@H](C)[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001246613769 1104628656 /nfs/dbraw/zinc/62/86/56/1104628656.db2.gz MGEWOTWONWNFQX-QFBILLFUSA-N 2 2 302.462 3.234 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613624 1104628670 /nfs/dbraw/zinc/62/86/70/1104628670.db2.gz JYIMVQMTUUVAQO-XJKSGUPXSA-N 2 2 312.379 3.464 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246613624 1104628674 /nfs/dbraw/zinc/62/86/74/1104628674.db2.gz JYIMVQMTUUVAQO-XJKSGUPXSA-N 2 2 312.379 3.464 20 0 DGADLP Cc1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001246619941 1104631158 /nfs/dbraw/zinc/63/11/58/1104631158.db2.gz PKNZJUBMOSRQSZ-CZAAIQMYSA-N 2 2 306.453 3.497 20 0 DGADLP Cc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001246619941 1104631161 /nfs/dbraw/zinc/63/11/61/1104631161.db2.gz PKNZJUBMOSRQSZ-CZAAIQMYSA-N 2 2 306.453 3.497 20 0 DGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246623510 1104633029 /nfs/dbraw/zinc/63/30/29/1104633029.db2.gz UHJAYRYCFCKETK-ZDUSSCGKSA-N 2 2 312.379 3.322 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627287 1104634555 /nfs/dbraw/zinc/63/45/55/1104634555.db2.gz IWZDHBHJHQFHCE-CXAGYDPISA-N 2 2 310.844 3.486 20 0 DGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246627287 1104634559 /nfs/dbraw/zinc/63/45/59/1104634559.db2.gz IWZDHBHJHQFHCE-CXAGYDPISA-N 2 2 310.844 3.486 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CC[C@H]3[NH2+]C[C@H]3C1)CC2 ZINC001246628197 1104634636 /nfs/dbraw/zinc/63/46/36/1104634636.db2.gz BFRFDWRVDUGIOA-WOSRLPQWSA-N 2 2 311.256 3.144 20 0 DGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CC[C@H]3[NH2+]C[C@H]3C1)CC2 ZINC001246628197 1104634638 /nfs/dbraw/zinc/63/46/38/1104634638.db2.gz BFRFDWRVDUGIOA-WOSRLPQWSA-N 2 2 311.256 3.144 20 0 DGADLP CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275120024 1104634898 /nfs/dbraw/zinc/63/48/98/1104634898.db2.gz AVOBKXFGWPGIHL-LJQANCHMSA-N 2 2 318.509 3.207 20 0 DGADLP CCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001275120024 1104634903 /nfs/dbraw/zinc/63/49/03/1104634903.db2.gz AVOBKXFGWPGIHL-LJQANCHMSA-N 2 2 318.509 3.207 20 0 DGADLP CCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275120024 1104634906 /nfs/dbraw/zinc/63/49/06/1104634906.db2.gz AVOBKXFGWPGIHL-LJQANCHMSA-N 2 2 318.509 3.207 20 0 DGADLP CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C)nn3C)C2)C1 ZINC001275120024 1104634922 /nfs/dbraw/zinc/63/49/22/1104634922.db2.gz AVOBKXFGWPGIHL-LJQANCHMSA-N 2 2 318.509 3.207 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630282 1104637336 /nfs/dbraw/zinc/63/73/36/1104637336.db2.gz ICJBKAYLTPELEO-AABGKKOBSA-N 3 2 313.489 3.088 20 0 DGADLP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)CC[NH2+]2)cc1 ZINC001246630282 1104637339 /nfs/dbraw/zinc/63/73/39/1104637339.db2.gz ICJBKAYLTPELEO-AABGKKOBSA-N 3 2 313.489 3.088 20 0 DGADLP C[C@@H](Cc1ccccc1Br)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246649893 1104647174 /nfs/dbraw/zinc/64/71/74/1104647174.db2.gz RGIHLMFUBUKZGO-ZDUSSCGKSA-N 2 2 323.278 3.208 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246653452 1104649431 /nfs/dbraw/zinc/64/94/31/1104649431.db2.gz SZYPPPORYGSJET-ZWKOTPCHSA-N 2 2 304.865 3.415 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@]13CCC[NH2+]C3)C2 ZINC001246653452 1104649433 /nfs/dbraw/zinc/64/94/33/1104649433.db2.gz SZYPPPORYGSJET-ZWKOTPCHSA-N 2 2 304.865 3.415 20 0 DGADLP C(C1CCCC1)[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275154805 1104654961 /nfs/dbraw/zinc/65/49/61/1104654961.db2.gz BOWOAYCUWDUGAI-LJQANCHMSA-N 2 2 306.494 3.286 20 0 DGADLP C(C1CCCC1)[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275154805 1104654965 /nfs/dbraw/zinc/65/49/65/1104654965.db2.gz BOWOAYCUWDUGAI-LJQANCHMSA-N 2 2 306.494 3.286 20 0 DGADLP C(C1CCCC1)[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275154805 1104654969 /nfs/dbraw/zinc/65/49/69/1104654969.db2.gz BOWOAYCUWDUGAI-LJQANCHMSA-N 2 2 306.494 3.286 20 0 DGADLP C(C1CCCC1)[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275154805 1104654972 /nfs/dbraw/zinc/65/49/72/1104654972.db2.gz BOWOAYCUWDUGAI-LJQANCHMSA-N 2 2 306.494 3.286 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784224 1104673394 /nfs/dbraw/zinc/67/33/94/1104673394.db2.gz WFPAYPNHIFKRGL-HUUCEWRRSA-N 2 2 310.869 3.490 20 0 DGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001246784224 1104673403 /nfs/dbraw/zinc/67/34/03/1104673403.db2.gz WFPAYPNHIFKRGL-HUUCEWRRSA-N 2 2 310.869 3.490 20 0 DGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798746 1104680823 /nfs/dbraw/zinc/68/08/23/1104680823.db2.gz RGIRVAJVOPNWHP-RDGPPVDQSA-N 2 2 302.462 3.369 20 0 DGADLP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@H](c3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246798746 1104680826 /nfs/dbraw/zinc/68/08/26/1104680826.db2.gz RGIRVAJVOPNWHP-RDGPPVDQSA-N 2 2 302.462 3.369 20 0 DGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246800546 1104682449 /nfs/dbraw/zinc/68/24/49/1104682449.db2.gz FCIMYWGTTRXRQL-HOTGVXAUSA-N 2 2 322.493 3.247 20 0 DGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246800546 1104682453 /nfs/dbraw/zinc/68/24/53/1104682453.db2.gz FCIMYWGTTRXRQL-HOTGVXAUSA-N 2 2 322.493 3.247 20 0 DGADLP CC[N@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246840794 1104700661 /nfs/dbraw/zinc/70/06/61/1104700661.db2.gz QBJCXYIAUWPRTM-DOMZBBRYSA-N 2 2 311.267 3.412 20 0 DGADLP CC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246840794 1104700668 /nfs/dbraw/zinc/70/06/68/1104700668.db2.gz QBJCXYIAUWPRTM-DOMZBBRYSA-N 2 2 311.267 3.412 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246866977 1104712678 /nfs/dbraw/zinc/71/26/78/1104712678.db2.gz LOKZCYISMLYEAU-RTBURBONSA-N 2 2 314.473 3.414 20 0 DGADLP CC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246866977 1104712687 /nfs/dbraw/zinc/71/26/87/1104712687.db2.gz LOKZCYISMLYEAU-RTBURBONSA-N 2 2 314.473 3.414 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246872928 1104716224 /nfs/dbraw/zinc/71/62/24/1104716224.db2.gz RNLMGTGJVMFZGR-NMLBUPMWSA-N 2 2 316.489 3.239 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)C[C@H](CC)[NH2+]1 ZINC001246872928 1104716233 /nfs/dbraw/zinc/71/62/33/1104716233.db2.gz RNLMGTGJVMFZGR-NMLBUPMWSA-N 2 2 316.489 3.239 20 0 DGADLP CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001246881219 1104720124 /nfs/dbraw/zinc/72/01/24/1104720124.db2.gz YYVGCBSLSZEHNY-PMACEKPBSA-N 2 2 312.457 3.336 20 0 DGADLP CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001246881219 1104720130 /nfs/dbraw/zinc/72/01/30/1104720130.db2.gz YYVGCBSLSZEHNY-PMACEKPBSA-N 2 2 312.457 3.336 20 0 DGADLP CCOCC[C@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246931645 1104741337 /nfs/dbraw/zinc/74/13/37/1104741337.db2.gz BHBXDDVWEAXXTM-YJBOKZPZSA-N 2 2 308.441 3.195 20 0 DGADLP CCOCC[C@H](C)[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246931645 1104741343 /nfs/dbraw/zinc/74/13/43/1104741343.db2.gz BHBXDDVWEAXXTM-YJBOKZPZSA-N 2 2 308.441 3.195 20 0 DGADLP CO[C@@H]1CCC[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933042 1104743031 /nfs/dbraw/zinc/74/30/31/1104743031.db2.gz FZXKNDOTNIGXGS-IPMKNSEASA-N 2 2 320.452 3.337 20 0 DGADLP CO[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246933042 1104743036 /nfs/dbraw/zinc/74/30/36/1104743036.db2.gz FZXKNDOTNIGXGS-IPMKNSEASA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H]1C[C@@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246951552 1104750353 /nfs/dbraw/zinc/75/03/53/1104750353.db2.gz LREKKKOMDHKBJI-FHWLQOOXSA-N 2 2 320.452 3.337 20 0 DGADLP CC[C@H]1C[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CCO1 ZINC001246951552 1104750359 /nfs/dbraw/zinc/75/03/59/1104750359.db2.gz LREKKKOMDHKBJI-FHWLQOOXSA-N 2 2 320.452 3.337 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)CC2 ZINC001246962075 1104752194 /nfs/dbraw/zinc/75/21/94/1104752194.db2.gz JHFKAADZGRZUQV-RTWAWAEBSA-N 2 2 321.468 3.111 20 0 DGADLP Cc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccncc1)[C@H]1CC[NH2+]C1)CC2 ZINC001246962075 1104752199 /nfs/dbraw/zinc/75/21/99/1104752199.db2.gz JHFKAADZGRZUQV-RTWAWAEBSA-N 2 2 321.468 3.111 20 0 DGADLP C[C@@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246967920 1104754827 /nfs/dbraw/zinc/75/48/27/1104754827.db2.gz VCWNHDIBFPKYFK-KCITZHQASA-N 2 2 301.478 3.460 20 0 DGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001246967920 1104754831 /nfs/dbraw/zinc/75/48/31/1104754831.db2.gz VCWNHDIBFPKYFK-KCITZHQASA-N 2 2 301.478 3.460 20 0 DGADLP CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975493 1104758101 /nfs/dbraw/zinc/75/81/01/1104758101.db2.gz UHTUAUZMERMLCO-MLHJIOFPSA-N 3 2 317.477 3.152 20 0 DGADLP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C[C@H](CC)[NH2+]1 ZINC001246975493 1104758106 /nfs/dbraw/zinc/75/81/06/1104758106.db2.gz UHTUAUZMERMLCO-MLHJIOFPSA-N 3 2 317.477 3.152 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974861 1104758907 /nfs/dbraw/zinc/75/89/07/1104758907.db2.gz KILPMUXSIIPCKX-DSLXNQLJSA-N 2 2 302.462 3.225 20 0 DGADLP CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246974861 1104758912 /nfs/dbraw/zinc/75/89/12/1104758912.db2.gz KILPMUXSIIPCKX-DSLXNQLJSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]1C[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C[C@@H]1[NH3+] ZINC001246982667 1104762276 /nfs/dbraw/zinc/76/22/76/1104762276.db2.gz GPVBNILVMOLEBF-MHVXSEJMSA-N 2 2 308.853 3.024 20 0 DGADLP CO[C@@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C[C@@H]1[NH3+] ZINC001246982667 1104762281 /nfs/dbraw/zinc/76/22/81/1104762281.db2.gz GPVBNILVMOLEBF-MHVXSEJMSA-N 2 2 308.853 3.024 20 0 DGADLP CCCC[C@H]1C[C@H]([N@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994008 1104767379 /nfs/dbraw/zinc/76/73/79/1104767379.db2.gz OEWMOQNQOYMFMX-JKSUJKDBSA-N 2 2 304.434 3.158 20 0 DGADLP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2OCO3)CC[NH2+]1 ZINC001246994008 1104767381 /nfs/dbraw/zinc/76/73/81/1104767381.db2.gz OEWMOQNQOYMFMX-JKSUJKDBSA-N 2 2 304.434 3.158 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246994671 1104767506 /nfs/dbraw/zinc/76/75/06/1104767506.db2.gz CPCXUZGTKNKVNO-JSGCOSHPSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246994671 1104767510 /nfs/dbraw/zinc/76/75/10/1104767510.db2.gz CPCXUZGTKNKVNO-JSGCOSHPSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246994668 1104767567 /nfs/dbraw/zinc/76/75/67/1104767567.db2.gz CPCXUZGTKNKVNO-GXTWGEPZSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2cccc(Br)c2C[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246994668 1104767573 /nfs/dbraw/zinc/76/75/73/1104767573.db2.gz CPCXUZGTKNKVNO-GXTWGEPZSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2cc(Br)ccc2C[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246996386 1104768843 /nfs/dbraw/zinc/76/88/43/1104768843.db2.gz NXUQGYIPQFPPIJ-LRDDRELGSA-N 2 2 323.278 3.338 20 0 DGADLP C[C@H]1Cc2cc(Br)ccc2C[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246996386 1104768850 /nfs/dbraw/zinc/76/88/50/1104768850.db2.gz NXUQGYIPQFPPIJ-LRDDRELGSA-N 2 2 323.278 3.338 20 0 DGADLP CC[C@@H]1C[C@@H]([NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001247000623 1104771396 /nfs/dbraw/zinc/77/13/96/1104771396.db2.gz FWBOTQWCSSXHBS-LZQZEXGQSA-N 2 2 319.468 3.035 20 0 DGADLP C[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]C1 ZINC001247002994 1104772648 /nfs/dbraw/zinc/77/26/48/1104772648.db2.gz UXQCUGLQONDLFJ-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]C1 ZINC001247002994 1104772654 /nfs/dbraw/zinc/77/26/54/1104772654.db2.gz UXQCUGLQONDLFJ-OAHLLOKOSA-N 2 2 300.368 3.322 20 0 DGADLP [NH3+]C[C@H]1CC[C@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC1 ZINC001247631660 1104943501 /nfs/dbraw/zinc/94/35/01/1104943501.db2.gz CAHPNLKFHMLFOR-HDJSIYSDSA-N 2 2 323.400 3.155 20 0 DGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3scnc3c1)C2 ZINC001275999944 1104984086 /nfs/dbraw/zinc/98/40/86/1104984086.db2.gz OHORIFLCJRELAJ-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3scnc3c1)C2 ZINC001275999944 1104984089 /nfs/dbraw/zinc/98/40/89/1104984089.db2.gz OHORIFLCJRELAJ-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3scnc3c1)C2 ZINC001275999944 1104984092 /nfs/dbraw/zinc/98/40/92/1104984092.db2.gz OHORIFLCJRELAJ-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001275999944 1104984098 /nfs/dbraw/zinc/98/40/98/1104984098.db2.gz OHORIFLCJRELAJ-KRWDZBQOSA-N 2 2 301.459 3.214 20 0 DGADLP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4nccs4)(C2)CCC3)c1 ZINC001276183529 1105041271 /nfs/dbraw/zinc/04/12/71/1105041271.db2.gz PMJCXTLPOYGZFH-DLBZAZTESA-N 2 2 316.474 3.196 20 0 DGADLP CCOc1cc(O)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276217847 1105052492 /nfs/dbraw/zinc/05/24/92/1105052492.db2.gz UJWKSYSIFULAGB-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(O)cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276217847 1105052500 /nfs/dbraw/zinc/05/25/00/1105052500.db2.gz UJWKSYSIFULAGB-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(O)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276217847 1105052508 /nfs/dbraw/zinc/05/25/08/1105052508.db2.gz UJWKSYSIFULAGB-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP CCOc1cc(O)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276217847 1105052511 /nfs/dbraw/zinc/05/25/11/1105052511.db2.gz UJWKSYSIFULAGB-LJQANCHMSA-N 2 2 318.461 3.099 20 0 DGADLP C[NH+](C)CCCOc1ccc(Nc2cccc3[nH+]ccn32)cc1 ZINC001248402904 1105109715 /nfs/dbraw/zinc/10/97/15/1105109715.db2.gz BZRFKQIMRAXNBG-UHFFFAOYSA-N 2 2 310.401 3.408 20 0 DGADLP COC1CC[NH+](C2CC[NH+](Cc3csc(C)c3)CC2)CC1 ZINC001248804891 1105167663 /nfs/dbraw/zinc/16/76/63/1105167663.db2.gz ZNUVZLOHGWWUOV-UHFFFAOYSA-N 2 2 308.491 3.132 20 0 DGADLP Cc1csc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC001137286050 1105471594 /nfs/dbraw/zinc/47/15/94/1105471594.db2.gz UBQMBSRMLPKOGX-UHFFFAOYSA-N 2 2 307.850 3.427 20 0 DGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(N)nc[nH+]1 ZINC001251645964 1105677121 /nfs/dbraw/zinc/67/71/21/1105677121.db2.gz UGPGNMXORIWZRM-AWEZNQCLSA-N 2 2 311.433 3.045 20 0 DGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(N)nc[nH+]1 ZINC001251645964 1105677122 /nfs/dbraw/zinc/67/71/22/1105677122.db2.gz UGPGNMXORIWZRM-AWEZNQCLSA-N 2 2 311.433 3.045 20 0 DGADLP C[NH+]1CCC([N@H+](C[C@@H](O)c2ccccc2)C2CCCC2)CC1 ZINC001251993863 1105720857 /nfs/dbraw/zinc/72/08/57/1105720857.db2.gz UNGGRMHMLKFLFU-LJQANCHMSA-N 2 2 302.462 3.059 20 0 DGADLP C[NH+]1CCC([N@@H+](C[C@@H](O)c2ccccc2)C2CCCC2)CC1 ZINC001251993863 1105720859 /nfs/dbraw/zinc/72/08/59/1105720859.db2.gz UNGGRMHMLKFLFU-LJQANCHMSA-N 2 2 302.462 3.059 20 0 DGADLP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491038210 1105740922 /nfs/dbraw/zinc/74/09/22/1105740922.db2.gz BDAZFFKXSUFWEH-IYBDPMFKSA-N 2 2 303.450 3.047 20 0 DGADLP O[C@@]1(CNc2cccc(C3CC3)[nH+]2)CC[N@H+](Cc2ccccc2)C1 ZINC001252921842 1105855076 /nfs/dbraw/zinc/85/50/76/1105855076.db2.gz XJLRMZDNKUXQOF-HXUWFJFHSA-N 2 2 323.440 3.008 20 0 DGADLP O[C@@]1(CNc2cccc(C3CC3)[nH+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252921842 1105855083 /nfs/dbraw/zinc/85/50/83/1105855083.db2.gz XJLRMZDNKUXQOF-HXUWFJFHSA-N 2 2 323.440 3.008 20 0 DGADLP CC(C)(C)[NH2+]C[C@@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001253386013 1105933637 /nfs/dbraw/zinc/93/36/37/1105933637.db2.gz ZQHVDFGENVDXJS-NSHDSACASA-N 2 2 307.825 3.049 20 0 DGADLP FC1(F)CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001254212150 1106036007 /nfs/dbraw/zinc/03/60/07/1106036007.db2.gz DYCRFBBXJAJTAW-UHFFFAOYSA-N 2 2 309.404 3.466 20 0 DGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCC3(CC3)CC1)C2 ZINC001254443254 1106070962 /nfs/dbraw/zinc/07/09/62/1106070962.db2.gz SQDWPMTZXSEGCB-UHFFFAOYSA-N 2 2 316.493 3.262 20 0 DGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC3(CC3)CC1)C2 ZINC001254443254 1106070968 /nfs/dbraw/zinc/07/09/68/1106070968.db2.gz SQDWPMTZXSEGCB-UHFFFAOYSA-N 2 2 316.493 3.262 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC3(CC3)CC1)C2 ZINC001254443254 1106070974 /nfs/dbraw/zinc/07/09/74/1106070974.db2.gz SQDWPMTZXSEGCB-UHFFFAOYSA-N 2 2 316.493 3.262 20 0 DGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC3(CC3)CC1)C2 ZINC001254443254 1106070979 /nfs/dbraw/zinc/07/09/79/1106070979.db2.gz SQDWPMTZXSEGCB-UHFFFAOYSA-N 2 2 316.493 3.262 20 0 DGADLP Cc1cc(C[NH+](Cc2ccccc2)[C@H]2CCC[N@@H+](C)CC2)on1 ZINC001254530609 1106094772 /nfs/dbraw/zinc/09/47/72/1106094772.db2.gz ZKVUUCDOCJOHDJ-SFHVURJKSA-N 2 2 313.445 3.470 20 0 DGADLP Cc1cc(C[NH+](Cc2ccccc2)[C@H]2CCC[N@H+](C)CC2)on1 ZINC001254530609 1106094777 /nfs/dbraw/zinc/09/47/77/1106094777.db2.gz ZKVUUCDOCJOHDJ-SFHVURJKSA-N 2 2 313.445 3.470 20 0 DGADLP Cc1cc(C[N@H+](Cc2ccccc2)[C@H]2CCC[NH+](C)CC2)on1 ZINC001254530609 1106094784 /nfs/dbraw/zinc/09/47/84/1106094784.db2.gz ZKVUUCDOCJOHDJ-SFHVURJKSA-N 2 2 313.445 3.470 20 0 DGADLP Cc1cc(C[N@@H+](Cc2ccccc2)[C@H]2CCC[NH+](C)CC2)on1 ZINC001254530609 1106094790 /nfs/dbraw/zinc/09/47/90/1106094790.db2.gz ZKVUUCDOCJOHDJ-SFHVURJKSA-N 2 2 313.445 3.470 20 0 DGADLP COc1ccc2cccc(CC[NH2+][C@@H]3CC4CC[NH+](CC4)C3)c2c1 ZINC001254841818 1106146957 /nfs/dbraw/zinc/14/69/57/1106146957.db2.gz BKIVZCAKAUEXKK-LJQANCHMSA-N 2 2 324.468 3.465 20 0 DGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254849185 1106148925 /nfs/dbraw/zinc/14/89/25/1106148925.db2.gz SEIRMNJPLPJEBQ-MSOLQXFVSA-N 2 2 304.865 3.271 20 0 DGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254849187 1106148957 /nfs/dbraw/zinc/14/89/57/1106148957.db2.gz SEIRMNJPLPJEBQ-ROUUACIJSA-N 2 2 304.865 3.271 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255129499 1106186669 /nfs/dbraw/zinc/18/66/69/1106186669.db2.gz ZTSPLYWKNOAFRJ-RDGPPVDQSA-N 2 2 312.457 3.283 20 0 DGADLP O=C1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255129499 1106186672 /nfs/dbraw/zinc/18/66/72/1106186672.db2.gz ZTSPLYWKNOAFRJ-RDGPPVDQSA-N 2 2 312.457 3.283 20 0 DGADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255143337 1106189550 /nfs/dbraw/zinc/18/95/50/1106189550.db2.gz KFEUBZFYNUYDCX-FLFBIERCSA-N 2 2 314.473 3.291 20 0 DGADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC001255143337 1106189552 /nfs/dbraw/zinc/18/95/52/1106189552.db2.gz KFEUBZFYNUYDCX-FLFBIERCSA-N 2 2 314.473 3.291 20 0 DGADLP CC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149802 1106190336 /nfs/dbraw/zinc/19/03/36/1106190336.db2.gz JPDSGIXASASFGS-YSTOQKLRSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149802 1106190338 /nfs/dbraw/zinc/19/03/38/1106190338.db2.gz JPDSGIXASASFGS-YSTOQKLRSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149802 1106190342 /nfs/dbraw/zinc/19/03/42/1106190342.db2.gz JPDSGIXASASFGS-YSTOQKLRSA-N 2 2 312.457 3.093 20 0 DGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149802 1106190345 /nfs/dbraw/zinc/19/03/45/1106190345.db2.gz JPDSGIXASASFGS-YSTOQKLRSA-N 2 2 312.457 3.093 20 0 DGADLP CCCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001255327168 1106223258 /nfs/dbraw/zinc/22/32/58/1106223258.db2.gz WHRDUAJYZCXPTG-IAGOWNOFSA-N 2 2 317.477 3.378 20 0 DGADLP CC[N@H+](CCC[NH+](C)C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410449 1106248160 /nfs/dbraw/zinc/24/81/60/1106248160.db2.gz XCXJPECMBYHDRA-HXUWFJFHSA-N 3 2 317.521 3.315 20 0 DGADLP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410449 1106248165 /nfs/dbraw/zinc/24/81/65/1106248165.db2.gz XCXJPECMBYHDRA-HXUWFJFHSA-N 3 2 317.521 3.315 20 0 DGADLP CC[NH+](CCC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410449 1106248169 /nfs/dbraw/zinc/24/81/69/1106248169.db2.gz XCXJPECMBYHDRA-HXUWFJFHSA-N 3 2 317.521 3.315 20 0 DGADLP CC[NH+](CCC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410449 1106248172 /nfs/dbraw/zinc/24/81/72/1106248172.db2.gz XCXJPECMBYHDRA-HXUWFJFHSA-N 3 2 317.521 3.315 20 0 DGADLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCC3(CC2)OCCO3)CC1 ZINC001255629171 1106280655 /nfs/dbraw/zinc/28/06/55/1106280655.db2.gz DPBXDQCUSWUKIL-UHFFFAOYSA-N 2 2 322.493 3.011 20 0 DGADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCC3(CC2)OCCO3)CC1 ZINC001255629171 1106280660 /nfs/dbraw/zinc/28/06/60/1106280660.db2.gz DPBXDQCUSWUKIL-UHFFFAOYSA-N 2 2 322.493 3.011 20 0 DGADLP C[C@H]1C(=O)CC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001255682222 1106293133 /nfs/dbraw/zinc/29/31/33/1106293133.db2.gz DTCOBVGBWDXXNM-PMRDEQMMSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C12CCCC2 ZINC001255682222 1106293135 /nfs/dbraw/zinc/29/31/35/1106293135.db2.gz DTCOBVGBWDXXNM-PMRDEQMMSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC001255682222 1106293138 /nfs/dbraw/zinc/29/31/38/1106293138.db2.gz DTCOBVGBWDXXNM-PMRDEQMMSA-N 2 2 304.478 3.225 20 0 DGADLP C[C@H]1C(=O)CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C12CCCC2 ZINC001255682222 1106293141 /nfs/dbraw/zinc/29/31/41/1106293141.db2.gz DTCOBVGBWDXXNM-PMRDEQMMSA-N 2 2 304.478 3.225 20 0 DGADLP CN1CCC([N@H+](C2CCCC2)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255684553 1106295026 /nfs/dbraw/zinc/29/50/26/1106295026.db2.gz IEEPTRDEZXOUGS-YOFSQIOKSA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([N@@H+](C2CCCC2)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001255684553 1106295029 /nfs/dbraw/zinc/29/50/29/1106295029.db2.gz IEEPTRDEZXOUGS-YOFSQIOKSA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([NH+](C2CCCC2)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255684553 1106295031 /nfs/dbraw/zinc/29/50/31/1106295031.db2.gz IEEPTRDEZXOUGS-YOFSQIOKSA-N 2 2 319.537 3.341 20 0 DGADLP CN1CCC([NH+](C2CCCC2)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255684553 1106295034 /nfs/dbraw/zinc/29/50/34/1106295034.db2.gz IEEPTRDEZXOUGS-YOFSQIOKSA-N 2 2 319.537 3.341 20 0 DGADLP Cc1[nH+]c2c(n1[C@H](C)CSc1ccc(F)cc1)CC[NH2+]CC2 ZINC001255738559 1106305668 /nfs/dbraw/zinc/30/56/68/1106305668.db2.gz RVBOKUVPTPONRC-GFCCVEGCSA-N 2 2 319.449 3.372 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(Br)ccn1 ZINC001255945007 1106346086 /nfs/dbraw/zinc/34/60/86/1106346086.db2.gz ISPHMSJPCATFTD-LBPRGKRZSA-N 2 2 314.271 3.054 20 0 DGADLP COc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC001256072545 1106364266 /nfs/dbraw/zinc/36/42/66/1106364266.db2.gz QXDJZGVWJBZAAB-UHFFFAOYSA-N 2 2 300.446 3.291 20 0 DGADLP COc1ccc(C2=CC[N@@H+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256081425 1106366145 /nfs/dbraw/zinc/36/61/45/1106366145.db2.gz DAPXEPLEDBAVHG-UHFFFAOYSA-N 2 2 312.457 3.411 20 0 DGADLP COc1ccc(C2=CC[N@H+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256081425 1106366149 /nfs/dbraw/zinc/36/61/49/1106366149.db2.gz DAPXEPLEDBAVHG-UHFFFAOYSA-N 2 2 312.457 3.411 20 0 DGADLP CC(C)CC[C@H](C)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256365113 1106410090 /nfs/dbraw/zinc/41/00/90/1106410090.db2.gz ZJGOVHQNWOPJDU-AWEZNQCLSA-N 2 2 302.422 3.102 20 0 DGADLP CC(C)CC[C@H](C)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256365113 1106410092 /nfs/dbraw/zinc/41/00/92/1106410092.db2.gz ZJGOVHQNWOPJDU-AWEZNQCLSA-N 2 2 302.422 3.102 20 0 DGADLP CC(C)CC[C@H](C)[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001256367697 1106411301 /nfs/dbraw/zinc/41/13/01/1106411301.db2.gz IEBWSHNSGYDBCU-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP CC(C)CC[C@H](C)[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001256367697 1106411304 /nfs/dbraw/zinc/41/13/04/1106411304.db2.gz IEBWSHNSGYDBCU-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001256367697 1106411306 /nfs/dbraw/zinc/41/13/06/1106411306.db2.gz IEBWSHNSGYDBCU-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP CC(C)CC[C@H](C)[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001256367697 1106411311 /nfs/dbraw/zinc/41/13/11/1106411311.db2.gz IEBWSHNSGYDBCU-INIZCTEOSA-N 2 2 321.513 3.149 20 0 DGADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001256403240 1106416099 /nfs/dbraw/zinc/41/60/99/1106416099.db2.gz UMZYXXKYGSPIST-RXVVDRJESA-N 2 2 323.484 3.309 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOCC23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256552832 1106440641 /nfs/dbraw/zinc/44/06/41/1106440641.db2.gz DZINTWQACFYLHO-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([NH+]2CCOCC23CCC3)CC[N@H+]1Cc1ccccc1 ZINC001256552832 1106440644 /nfs/dbraw/zinc/44/06/44/1106440644.db2.gz DZINTWQACFYLHO-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552832 1106440646 /nfs/dbraw/zinc/44/06/46/1106440646.db2.gz DZINTWQACFYLHO-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCOCC23CCC3)CC[NH+]1Cc1ccccc1 ZINC001256552832 1106440648 /nfs/dbraw/zinc/44/06/48/1106440648.db2.gz DZINTWQACFYLHO-IEBWSBKVSA-N 2 2 314.473 3.294 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554177 1106442563 /nfs/dbraw/zinc/44/25/63/1106442563.db2.gz OHYYKVYZUMMDQM-AHRSYUTCSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554177 1106442564 /nfs/dbraw/zinc/44/25/64/1106442564.db2.gz OHYYKVYZUMMDQM-AHRSYUTCSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554177 1106442567 /nfs/dbraw/zinc/44/25/67/1106442567.db2.gz OHYYKVYZUMMDQM-AHRSYUTCSA-N 2 2 314.473 3.341 20 0 DGADLP CC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256554177 1106442569 /nfs/dbraw/zinc/44/25/69/1106442569.db2.gz OHYYKVYZUMMDQM-AHRSYUTCSA-N 2 2 314.473 3.341 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2)CC1 ZINC001256561583 1106444794 /nfs/dbraw/zinc/44/47/94/1106444794.db2.gz ANNYEQRHIATNSP-INIZCTEOSA-N 2 2 310.869 3.226 20 0 DGADLP c1cc2cccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)n2n1 ZINC001256600572 1106451678 /nfs/dbraw/zinc/45/16/78/1106451678.db2.gz WYLIXFBRJQYROF-UHFFFAOYSA-N 2 2 320.440 3.089 20 0 DGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256793571 1106485120 /nfs/dbraw/zinc/48/51/20/1106485120.db2.gz BXBDAQWQXQUEDA-CEXWTWQISA-N 2 2 302.462 3.227 20 0 DGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256793571 1106485124 /nfs/dbraw/zinc/48/51/24/1106485124.db2.gz BXBDAQWQXQUEDA-CEXWTWQISA-N 2 2 302.462 3.227 20 0 DGADLP CCOC(=O)C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001257208759 1106551983 /nfs/dbraw/zinc/55/19/83/1106551983.db2.gz SNHXDRZKEFIYMO-GOSISDBHSA-N 2 2 318.461 3.143 20 0 DGADLP CCCc1noc(C2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC001257221887 1106554009 /nfs/dbraw/zinc/55/40/09/1106554009.db2.gz JHLPAQOZCJQNIH-UHFFFAOYSA-N 2 2 320.481 3.074 20 0 DGADLP CCC[C@@H](CC)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001257262901 1106558406 /nfs/dbraw/zinc/55/84/06/1106558406.db2.gz OACLEFOWDXZTAI-GOSISDBHSA-N 2 2 318.509 3.429 20 0 DGADLP CCC[C@@H](CC)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001257262901 1106558410 /nfs/dbraw/zinc/55/84/10/1106558410.db2.gz OACLEFOWDXZTAI-GOSISDBHSA-N 2 2 318.509 3.429 20 0 DGADLP CCC(CC)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001257298027 1106562705 /nfs/dbraw/zinc/56/27/05/1106562705.db2.gz FILZJUWGFCVJIB-UHFFFAOYSA-N 2 2 304.482 3.039 20 0 DGADLP CCC(CC)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001257298027 1106562706 /nfs/dbraw/zinc/56/27/06/1106562706.db2.gz FILZJUWGFCVJIB-UHFFFAOYSA-N 2 2 304.482 3.039 20 0 DGADLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001257311328 1106564791 /nfs/dbraw/zinc/56/47/91/1106564791.db2.gz LMLKYMWSCPPPFD-OAHLLOKOSA-N 2 2 318.461 3.216 20 0 DGADLP CCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001257322672 1106568310 /nfs/dbraw/zinc/56/83/10/1106568310.db2.gz ZEJKHXYZIZGIJH-INIZCTEOSA-N 2 2 304.482 3.039 20 0 DGADLP CCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001257322672 1106568316 /nfs/dbraw/zinc/56/83/16/1106568316.db2.gz ZEJKHXYZIZGIJH-INIZCTEOSA-N 2 2 304.482 3.039 20 0 DGADLP CCCC(CCC)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257338677 1106570067 /nfs/dbraw/zinc/57/00/67/1106570067.db2.gz XNGULJDIFJMLFR-ROUUACIJSA-N 2 2 301.478 3.414 20 0 DGADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001257470901 1106594805 /nfs/dbraw/zinc/59/48/05/1106594805.db2.gz LUBNDMGZLVFYHF-ZULIPRJHSA-N 2 2 317.521 3.393 20 0 DGADLP CCCCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257510283 1106600524 /nfs/dbraw/zinc/60/05/24/1106600524.db2.gz NNSNFKOCERFFFC-OKZBNKHCSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257510283 1106600525 /nfs/dbraw/zinc/60/05/25/1106600525.db2.gz NNSNFKOCERFFFC-OKZBNKHCSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257510283 1106600528 /nfs/dbraw/zinc/60/05/28/1106600528.db2.gz NNSNFKOCERFFFC-OKZBNKHCSA-N 2 2 301.478 3.414 20 0 DGADLP CCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257510283 1106600530 /nfs/dbraw/zinc/60/05/30/1106600530.db2.gz NNSNFKOCERFFFC-OKZBNKHCSA-N 2 2 301.478 3.414 20 0 DGADLP c1cn(CCC[NH2+]C2CCC(OCc3ccccc3)CC2)c[nH+]1 ZINC001257820625 1106630788 /nfs/dbraw/zinc/63/07/88/1106630788.db2.gz ZGCMCXORAAJWGV-UHFFFAOYSA-N 2 2 313.445 3.391 20 0 DGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC2(COC2)CC1 ZINC001257914731 1106646834 /nfs/dbraw/zinc/64/68/34/1106646834.db2.gz XEEMEJYWOKGAKF-UHFFFAOYSA-N 2 2 311.429 3.263 20 0 DGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC2(COC2)CC1 ZINC001257914731 1106646837 /nfs/dbraw/zinc/64/68/37/1106646837.db2.gz XEEMEJYWOKGAKF-UHFFFAOYSA-N 2 2 311.429 3.263 20 0 DGADLP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257957264 1106651496 /nfs/dbraw/zinc/65/14/96/1106651496.db2.gz YJMYYICQBRKDHG-INIZCTEOSA-N 2 2 320.864 3.237 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(OC3CCC3)n2)CC1 ZINC001258007997 1106657269 /nfs/dbraw/zinc/65/72/69/1106657269.db2.gz ASXDRSCMTGWMKF-UHFFFAOYSA-N 2 2 317.477 3.223 20 0 DGADLP Cc1cccc(N2CC[NH+](C3CC[NH+](CC(C)C)CC3)CC2)c1 ZINC001258012439 1106657912 /nfs/dbraw/zinc/65/79/12/1106657912.db2.gz WTHYSDQKGDPSRK-UHFFFAOYSA-N 2 2 315.505 3.237 20 0 DGADLP CC(C)C[NH+]1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001258019925 1106659077 /nfs/dbraw/zinc/65/90/77/1106659077.db2.gz JVCILEGIBBVXJA-UHFFFAOYSA-N 3 2 321.553 3.446 20 0 DGADLP CC(C)C[NH+]1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001258019925 1106659079 /nfs/dbraw/zinc/65/90/79/1106659079.db2.gz JVCILEGIBBVXJA-UHFFFAOYSA-N 3 2 321.553 3.446 20 0 DGADLP CCOC(=O)CC1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001258034656 1106662569 /nfs/dbraw/zinc/66/25/69/1106662569.db2.gz YAZAWUMQIXOANV-UHFFFAOYSA-N 2 2 319.449 3.032 20 0 DGADLP C[N@H+](Cc1ccncc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141095 1106679943 /nfs/dbraw/zinc/67/99/43/1106679943.db2.gz TWGGWKYVPZRAAL-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP C[N@@H+](Cc1ccncc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141095 1106679947 /nfs/dbraw/zinc/67/99/47/1106679947.db2.gz TWGGWKYVPZRAAL-UHFFFAOYSA-N 2 2 309.457 3.221 20 0 DGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001258170330 1106686067 /nfs/dbraw/zinc/68/60/67/1106686067.db2.gz JGCPBVMBGCHHGH-ZSHCYNCHSA-N 2 2 303.450 3.037 20 0 DGADLP C[C@H](Cc1ccco1)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258198028 1106695131 /nfs/dbraw/zinc/69/51/31/1106695131.db2.gz UZFCHQCMZUROKL-CYBMUJFWSA-N 2 2 303.381 3.003 20 0 DGADLP CC1(C)CCC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)C1 ZINC001258288619 1106710688 /nfs/dbraw/zinc/71/06/88/1106710688.db2.gz XYAJGFZMTCWBEU-LMMKCTJWSA-N 2 2 313.489 3.414 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001258396385 1106729820 /nfs/dbraw/zinc/72/98/20/1106729820.db2.gz POUUUPIAEKUKAB-OXQOHEQNSA-N 2 2 324.468 3.402 20 0 DGADLP COc1ccc(CC[C@@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001258396385 1106729825 /nfs/dbraw/zinc/72/98/25/1106729825.db2.gz POUUUPIAEKUKAB-OXQOHEQNSA-N 2 2 324.468 3.402 20 0 DGADLP COc1ccc(CC[C@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001258396384 1106730579 /nfs/dbraw/zinc/73/05/79/1106730579.db2.gz POUUUPIAEKUKAB-OXJNMPFZSA-N 2 2 324.468 3.402 20 0 DGADLP COc1ccc(CC[C@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001258396384 1106730583 /nfs/dbraw/zinc/73/05/83/1106730583.db2.gz POUUUPIAEKUKAB-OXJNMPFZSA-N 2 2 324.468 3.402 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258652200 1106880131 /nfs/dbraw/zinc/88/01/31/1106880131.db2.gz PTNPBWPHEZZKDS-IBGZPJMESA-N 3 2 305.510 3.000 20 0 DGADLP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258652200 1106880150 /nfs/dbraw/zinc/88/01/50/1106880150.db2.gz PTNPBWPHEZZKDS-IBGZPJMESA-N 3 2 305.510 3.000 20 0 DGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001258783808 1106975341 /nfs/dbraw/zinc/97/53/41/1106975341.db2.gz JGSJPJKETOMRND-WNHJNPCNSA-N 2 2 303.494 3.003 20 0 DGADLP COc1ccccc1C[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258895387 1107043883 /nfs/dbraw/zinc/04/38/83/1107043883.db2.gz AWOQKPBQEWHMSM-INIZCTEOSA-N 2 2 304.478 3.431 20 0 DGADLP COc1ccccc1C[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001258895387 1107043899 /nfs/dbraw/zinc/04/38/99/1107043899.db2.gz AWOQKPBQEWHMSM-INIZCTEOSA-N 2 2 304.478 3.431 20 0 DGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(Cl)cc1Br ZINC001261370203 1107419964 /nfs/dbraw/zinc/41/99/64/1107419964.db2.gz BUKQITBQCCSNEA-VIFPVBQESA-N 2 2 305.647 3.190 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)c1ccsc1 ZINC001323065290 1107821833 /nfs/dbraw/zinc/82/18/33/1107821833.db2.gz IDZIZUHHZIFYGP-NSHDSACASA-N 2 2 312.398 3.379 20 0 DGADLP CC[N@@H+](Cc1cc(C)n[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001323324965 1107938305 /nfs/dbraw/zinc/93/83/05/1107938305.db2.gz YYXSXANLBQEYLF-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[N@H+](Cc1cc(C)n[nH]1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001323324965 1107938311 /nfs/dbraw/zinc/93/83/11/1107938311.db2.gz YYXSXANLBQEYLF-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1cc(C)n[nH]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001323324965 1107938316 /nfs/dbraw/zinc/93/83/16/1107938316.db2.gz YYXSXANLBQEYLF-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP CC[NH+](Cc1cc(C)n[nH]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001323324965 1107938319 /nfs/dbraw/zinc/93/83/19/1107938319.db2.gz YYXSXANLBQEYLF-GOSISDBHSA-N 2 2 312.461 3.062 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001324424356 1108283575 /nfs/dbraw/zinc/28/35/75/1108283575.db2.gz JATXKQWKWLQJAT-OCCSQVGLSA-N 2 2 316.276 3.259 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC001324424356 1108283584 /nfs/dbraw/zinc/28/35/84/1108283584.db2.gz JATXKQWKWLQJAT-OCCSQVGLSA-N 2 2 316.276 3.259 20 0 DGADLP COc1cccc2c(N3CCC[N@@H+]4CCC[C@@H]4C3)cc(C)[nH+]c12 ZINC001319282754 1108399827 /nfs/dbraw/zinc/39/98/27/1108399827.db2.gz NWPSEUFHEYPIKT-OAHLLOKOSA-N 2 2 311.429 3.226 20 0 DGADLP COc1cccc2c(N3CCC[N@H+]4CCC[C@@H]4C3)cc(C)[nH+]c12 ZINC001319282754 1108399840 /nfs/dbraw/zinc/39/98/40/1108399840.db2.gz NWPSEUFHEYPIKT-OAHLLOKOSA-N 2 2 311.429 3.226 20 0 DGADLP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001319539663 1108513392 /nfs/dbraw/zinc/51/33/92/1108513392.db2.gz HFBDHZWTLQSSAP-JKSUJKDBSA-N 2 2 322.497 3.097 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2cnn(C)c2)cc1 ZINC001324972076 1108544911 /nfs/dbraw/zinc/54/49/11/1108544911.db2.gz BGKBJAQVGYGOBD-UXHICEINSA-N 2 2 324.472 3.146 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2cnn(C)c2)cc1 ZINC001324972076 1108544917 /nfs/dbraw/zinc/54/49/17/1108544917.db2.gz BGKBJAQVGYGOBD-UXHICEINSA-N 2 2 324.472 3.146 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cnn(C)c2)cc1 ZINC001324972076 1108544921 /nfs/dbraw/zinc/54/49/21/1108544921.db2.gz BGKBJAQVGYGOBD-UXHICEINSA-N 2 2 324.472 3.146 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2cnn(C)c2)cc1 ZINC001324972076 1108544932 /nfs/dbraw/zinc/54/49/32/1108544932.db2.gz BGKBJAQVGYGOBD-UXHICEINSA-N 2 2 324.472 3.146 20 0 DGADLP Cc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc2c[nH+]cn21 ZINC001324988517 1108550875 /nfs/dbraw/zinc/55/08/75/1108550875.db2.gz LQMDQQVTJJPFPE-UHFFFAOYSA-N 2 2 317.352 3.081 20 0 DGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001282146051 1109457182 /nfs/dbraw/zinc/45/71/82/1109457182.db2.gz GWVCEIIGDLODAW-QWHCGFSZSA-N 2 2 316.449 3.096 20 0 DGADLP Cc1conc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308166930 1111388845 /nfs/dbraw/zinc/38/88/45/1111388845.db2.gz ZMWIGDFUMUCDQW-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1conc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308166930 1111388849 /nfs/dbraw/zinc/38/88/49/1111388849.db2.gz ZMWIGDFUMUCDQW-CQSZACIVSA-N 2 2 302.422 3.314 20 0 DGADLP Cc1c(Cl)cccc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001308188823 1111392716 /nfs/dbraw/zinc/39/27/16/1111392716.db2.gz MJFPBNXWBUGIBU-ZIAGYGMSSA-N 2 2 310.869 3.237 20 0 DGADLP C[C@H](C[NH2+]C1CCC2(COC(C)(C)C2)CC1)Cn1cc[nH+]c1 ZINC001308246262 1111403656 /nfs/dbraw/zinc/40/36/56/1111403656.db2.gz AIZFUFSNIXASAW-KLHKWILBSA-N 2 2 305.466 3.237 20 0 DGADLP COc1cncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001308360305 1111421744 /nfs/dbraw/zinc/42/17/44/1111421744.db2.gz MIDYICGGSCQMQV-AWEZNQCLSA-N 2 2 308.385 3.127 20 0 DGADLP CC[C@@H](C)[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC001308744196 1111469363 /nfs/dbraw/zinc/46/93/63/1111469363.db2.gz FAMCCTYAUMDDON-SJLPKXTDSA-N 2 2 307.482 3.436 20 0 DGADLP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1F ZINC001308883610 1111488130 /nfs/dbraw/zinc/48/81/30/1111488130.db2.gz YRYDLTUHWSGRNB-HOCLYGCPSA-N 2 2 308.441 3.387 20 0 DGADLP COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1F ZINC001308883610 1111488132 /nfs/dbraw/zinc/48/81/32/1111488132.db2.gz YRYDLTUHWSGRNB-HOCLYGCPSA-N 2 2 308.441 3.387 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)[C@H]1C[N@H+](C)CCN1C ZINC001308948759 1111498668 /nfs/dbraw/zinc/49/86/68/1111498668.db2.gz RINPXEOXFNMNMO-IJXRJRJASA-N 2 2 321.553 3.349 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001308948759 1111498669 /nfs/dbraw/zinc/49/86/69/1111498669.db2.gz RINPXEOXFNMNMO-IJXRJRJASA-N 2 2 321.553 3.349 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001308966783 1111501478 /nfs/dbraw/zinc/50/14/78/1111501478.db2.gz AGDZKHARHURAHX-XJKSGUPXSA-N 2 2 323.868 3.131 20 0 DGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001308966783 1111501481 /nfs/dbraw/zinc/50/14/81/1111501481.db2.gz AGDZKHARHURAHX-XJKSGUPXSA-N 2 2 323.868 3.131 20 0 DGADLP Cn1c(CCC[NH2+]Cc2cccc3c2OCO3)[nH+]c2ccccc21 ZINC000076901189 185052880 /nfs/dbraw/zinc/05/28/80/185052880.db2.gz XHPITAMEYVANGK-UHFFFAOYSA-N 2 2 323.396 3.024 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000415065024 529611088 /nfs/dbraw/zinc/61/10/88/529611088.db2.gz LZYLBGJMRDSNPV-IBGZPJMESA-N 2 2 320.440 3.429 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000415070357 529612025 /nfs/dbraw/zinc/61/20/25/529612025.db2.gz UTHXYCUJEYLCPX-FQEVSTJZSA-N 2 2 320.440 3.224 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1OC ZINC000415065186 529616645 /nfs/dbraw/zinc/61/66/45/529616645.db2.gz MEYSEXJEOSNXHA-GOSISDBHSA-N 2 2 314.429 3.056 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(OC)c1OC ZINC000415062764 529617140 /nfs/dbraw/zinc/61/71/40/529617140.db2.gz GCRZKNCAPOHCNA-QGZVFWFLSA-N 2 2 314.429 3.056 20 0 DGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1Cc2ccccc2C1 ZINC000090050199 185279693 /nfs/dbraw/zinc/27/96/93/185279693.db2.gz SCVBHHSRIYHYDC-UHFFFAOYSA-N 2 2 305.425 3.263 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000422710717 282248639 /nfs/dbraw/zinc/24/86/39/282248639.db2.gz MBCKQELOINQXSC-GUDVDZBRSA-N 2 2 313.420 3.163 20 0 DGADLP CC1(C)[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@@H]2CCCO[C@@H]21 ZINC000181568795 199318992 /nfs/dbraw/zinc/31/89/92/199318992.db2.gz GQERNUMODHIOHB-SZMVWBNQSA-N 2 2 311.429 3.166 20 0 DGADLP C[N@H+](Cc1ncc(-c2ccccc2F)o1)[C@H]1CCC[NH2+]CC1 ZINC000435621662 530024601 /nfs/dbraw/zinc/02/46/01/530024601.db2.gz NQJSYUKNFYZAIS-ZDUSSCGKSA-N 2 2 303.381 3.055 20 0 DGADLP C[N@@H+](Cc1ncc(-c2ccccc2F)o1)[C@H]1CCC[NH2+]CC1 ZINC000435621662 530024602 /nfs/dbraw/zinc/02/46/02/530024602.db2.gz NQJSYUKNFYZAIS-ZDUSSCGKSA-N 2 2 303.381 3.055 20 0 DGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000227073753 201790972 /nfs/dbraw/zinc/79/09/72/201790972.db2.gz OYPGLCSFJZCDAL-BBRMVZONSA-N 2 2 301.459 3.288 20 0 DGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000227073753 201790974 /nfs/dbraw/zinc/79/09/74/201790974.db2.gz OYPGLCSFJZCDAL-BBRMVZONSA-N 2 2 301.459 3.288 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272644831 210048495 /nfs/dbraw/zinc/04/84/95/210048495.db2.gz OSTGTQRNNFEMBM-YOEHRIQHSA-N 2 2 313.470 3.336 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272644831 210048498 /nfs/dbraw/zinc/04/84/98/210048498.db2.gz OSTGTQRNNFEMBM-YOEHRIQHSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272644831 210048501 /nfs/dbraw/zinc/04/85/01/210048501.db2.gz OSTGTQRNNFEMBM-YOEHRIQHSA-N 2 2 313.470 3.336 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)[C@H]2C1 ZINC000272644831 210048506 /nfs/dbraw/zinc/04/85/06/210048506.db2.gz OSTGTQRNNFEMBM-YOEHRIQHSA-N 2 2 313.470 3.336 20 0 DGADLP COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000279707036 215078807 /nfs/dbraw/zinc/07/88/07/215078807.db2.gz JVXBYMVLDFZSHC-MRXNPFEDSA-N 2 2 324.490 3.016 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000121424656 185797779 /nfs/dbraw/zinc/79/77/79/185797779.db2.gz CPXMLRVSJLDFGV-QRQLOZEOSA-N 2 2 323.440 3.310 20 0 DGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(CO)c1 ZINC000121483393 185807128 /nfs/dbraw/zinc/80/71/28/185807128.db2.gz STUBGNQHFCWSCA-AWEZNQCLSA-N 2 2 309.413 3.339 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619191 210020175 /nfs/dbraw/zinc/02/01/75/210020175.db2.gz LRDKPVVKDZXOMV-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619191 210020177 /nfs/dbraw/zinc/02/01/77/210020177.db2.gz LRDKPVVKDZXOMV-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619191 210020181 /nfs/dbraw/zinc/02/01/81/210020181.db2.gz LRDKPVVKDZXOMV-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)[C@@H]2C1 ZINC000272619191 210020183 /nfs/dbraw/zinc/02/01/83/210020183.db2.gz LRDKPVVKDZXOMV-YLJYHZDGSA-N 2 2 307.441 3.275 20 0 DGADLP CCC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H](O)c1ccccc1 ZINC000279760777 215123159 /nfs/dbraw/zinc/12/31/59/215123159.db2.gz ZUPMBSQIOMQURJ-MJGOQNOKSA-N 2 2 309.413 3.326 20 0 DGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000279800369 215156843 /nfs/dbraw/zinc/15/68/43/215156843.db2.gz WBBWVDVOVAXGTM-HNAYVOBHSA-N 2 2 309.413 3.243 20 0 DGADLP Clc1ccc2c(NC[C@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c2c1 ZINC000066745948 432020358 /nfs/dbraw/zinc/02/03/58/432020358.db2.gz VKXCVJHIQNDCSH-AWEZNQCLSA-N 2 2 317.820 3.163 20 0 DGADLP Clc1ccc2c(NC[C@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c2c1 ZINC000066745948 432020360 /nfs/dbraw/zinc/02/03/60/432020360.db2.gz VKXCVJHIQNDCSH-AWEZNQCLSA-N 2 2 317.820 3.163 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000286980034 219255539 /nfs/dbraw/zinc/25/55/39/219255539.db2.gz BXBKINIGIWXOHC-UHFFFAOYSA-N 2 2 304.438 3.083 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000279909875 215229431 /nfs/dbraw/zinc/22/94/31/215229431.db2.gz LWCYLCXVXMRNQR-RBSFLKMASA-N 2 2 317.433 3.071 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccco2)n1 ZINC000130371435 432023371 /nfs/dbraw/zinc/02/33/71/432023371.db2.gz BPDJXCHRNFIRHG-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccco2)n1 ZINC000130371435 432023372 /nfs/dbraw/zinc/02/33/72/432023372.db2.gz BPDJXCHRNFIRHG-UHFFFAOYSA-N 2 2 302.403 3.122 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000130407987 432023906 /nfs/dbraw/zinc/02/39/06/432023906.db2.gz VVRCCJHGRMRXSI-UPTPFMHGSA-N 2 2 305.466 3.024 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000130407987 432023909 /nfs/dbraw/zinc/02/39/09/432023909.db2.gz VVRCCJHGRMRXSI-UPTPFMHGSA-N 2 2 305.466 3.024 20 0 DGADLP CCCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1OC ZINC000155736287 186107958 /nfs/dbraw/zinc/10/79/58/186107958.db2.gz LCPIAGWXPJJHGM-HNNXBMFYSA-N 2 2 317.433 3.421 20 0 DGADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000155757845 186109887 /nfs/dbraw/zinc/10/98/87/186109887.db2.gz FVUDWNRHZQTFRE-CQSZACIVSA-N 2 2 311.307 3.059 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@@H+]1C ZINC000155861454 186118580 /nfs/dbraw/zinc/11/85/80/186118580.db2.gz DYQZOGCBXCOKMO-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Br)CC[N@H+]1C ZINC000155861454 186118581 /nfs/dbraw/zinc/11/85/81/186118581.db2.gz DYQZOGCBXCOKMO-ZWNOBZJWSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000177905882 186202212 /nfs/dbraw/zinc/20/22/12/186202212.db2.gz SZUJYTMRWVIVMF-ZBFHGGJFSA-N 2 2 323.400 3.016 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000177905882 186202214 /nfs/dbraw/zinc/20/22/14/186202214.db2.gz SZUJYTMRWVIVMF-ZBFHGGJFSA-N 2 2 323.400 3.016 20 0 DGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000181934781 186220907 /nfs/dbraw/zinc/22/09/07/186220907.db2.gz JGQNVUVCWVQWLS-CQSZACIVSA-N 2 2 322.412 3.186 20 0 DGADLP c1c(CC[NH2+][C@@H]2CSCCc3ccccc32)[nH+]c2ccccn12 ZINC000130662199 432028559 /nfs/dbraw/zinc/02/85/59/432028559.db2.gz OTKUMDPHQQAHBF-GOSISDBHSA-N 2 2 323.465 3.497 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618588 198232194 /nfs/dbraw/zinc/23/21/94/198232194.db2.gz UYWAVFCCAJQZHX-INIZCTEOSA-N 2 2 317.477 3.093 20 0 DGADLP CC[N@@H+](Cc1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390324 198328496 /nfs/dbraw/zinc/32/84/96/198328496.db2.gz CCPACVVXSWVQDU-UHFFFAOYSA-N 2 2 310.445 3.215 20 0 DGADLP CC[N@H+](Cc1cccnc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390324 198328498 /nfs/dbraw/zinc/32/84/98/198328498.db2.gz CCPACVVXSWVQDU-UHFFFAOYSA-N 2 2 310.445 3.215 20 0 DGADLP c1cn(CC[N@@H+](CCc2ccccc2)Cc2cccnc2)c[nH+]1 ZINC000277045318 213259867 /nfs/dbraw/zinc/25/98/67/213259867.db2.gz HFLBVUMZYRVTDB-UHFFFAOYSA-N 2 2 306.413 3.023 20 0 DGADLP c1cn(CC[N@H+](CCc2ccccc2)Cc2cccnc2)c[nH+]1 ZINC000277045318 213259865 /nfs/dbraw/zinc/25/98/65/213259865.db2.gz HFLBVUMZYRVTDB-UHFFFAOYSA-N 2 2 306.413 3.023 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025687 213248124 /nfs/dbraw/zinc/24/81/24/213248124.db2.gz AUAZKULWZPZVFG-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025687 213248126 /nfs/dbraw/zinc/24/81/26/213248126.db2.gz AUAZKULWZPZVFG-DLBZAZTESA-N 2 2 317.477 3.047 20 0 DGADLP CC(C)Oc1cc(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)ccn1 ZINC000131643487 432041471 /nfs/dbraw/zinc/04/14/71/432041471.db2.gz HTFHIOYVCNFUKT-QGZVFWFLSA-N 2 2 317.477 3.318 20 0 DGADLP CC(C)Oc1cc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)ccn1 ZINC000131643487 432041477 /nfs/dbraw/zinc/04/14/77/432041477.db2.gz HTFHIOYVCNFUKT-QGZVFWFLSA-N 2 2 317.477 3.318 20 0 DGADLP CC(C)Oc1cc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)ccn1 ZINC000131643487 432041482 /nfs/dbraw/zinc/04/14/82/432041482.db2.gz HTFHIOYVCNFUKT-QGZVFWFLSA-N 2 2 317.477 3.318 20 0 DGADLP CC(C)Oc1cc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)ccn1 ZINC000131643487 432041487 /nfs/dbraw/zinc/04/14/87/432041487.db2.gz HTFHIOYVCNFUKT-QGZVFWFLSA-N 2 2 317.477 3.318 20 0 DGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)OCCO2 ZINC000163829372 432043755 /nfs/dbraw/zinc/04/37/55/432043755.db2.gz YAMOMNJNDAJCLH-AWEZNQCLSA-N 2 2 313.401 3.006 20 0 DGADLP Cc1csc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000080274048 192019358 /nfs/dbraw/zinc/01/93/58/192019358.db2.gz SNABXESFALZAPO-CYBMUJFWSA-N 2 2 302.447 3.166 20 0 DGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CCC[NH2+]4)cc3)[nH+]c12 ZINC000165503722 432056576 /nfs/dbraw/zinc/05/65/76/432056576.db2.gz UGAFUDJWZCDGNM-INIZCTEOSA-N 2 2 320.396 3.000 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081571094 192295023 /nfs/dbraw/zinc/29/50/23/192295023.db2.gz FQYJIEJVOWWHHA-AWEZNQCLSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000081571094 192295026 /nfs/dbraw/zinc/29/50/26/192295026.db2.gz FQYJIEJVOWWHHA-AWEZNQCLSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000081571094 192295028 /nfs/dbraw/zinc/29/50/28/192295028.db2.gz FQYJIEJVOWWHHA-AWEZNQCLSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000081571094 192295031 /nfs/dbraw/zinc/29/50/31/192295031.db2.gz FQYJIEJVOWWHHA-AWEZNQCLSA-N 2 2 312.404 3.452 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584659 192297118 /nfs/dbraw/zinc/29/71/18/192297118.db2.gz FZIVLVSHIRWCMQ-SFHVURJKSA-N 3 2 312.461 3.036 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584659 192297119 /nfs/dbraw/zinc/29/71/19/192297119.db2.gz FZIVLVSHIRWCMQ-SFHVURJKSA-N 3 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584659 192297120 /nfs/dbraw/zinc/29/71/20/192297120.db2.gz FZIVLVSHIRWCMQ-SFHVURJKSA-N 3 2 312.461 3.036 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000081584659 192297121 /nfs/dbraw/zinc/29/71/21/192297121.db2.gz FZIVLVSHIRWCMQ-SFHVURJKSA-N 3 2 312.461 3.036 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395632 432060436 /nfs/dbraw/zinc/06/04/36/432060436.db2.gz JCFDWRDAYQBYBE-JTDSTZFVSA-N 2 2 312.461 3.065 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000166395632 432060438 /nfs/dbraw/zinc/06/04/38/432060438.db2.gz JCFDWRDAYQBYBE-JTDSTZFVSA-N 2 2 312.461 3.065 20 0 DGADLP CCOc1ccccc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166388687 432061335 /nfs/dbraw/zinc/06/13/35/432061335.db2.gz LCJNYRSKPDCHOG-UHFFFAOYSA-N 2 2 311.429 3.111 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405664 432065706 /nfs/dbraw/zinc/06/57/06/432065706.db2.gz MELLNKQFYXSJKA-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167405664 432065709 /nfs/dbraw/zinc/06/57/09/432065709.db2.gz MELLNKQFYXSJKA-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000167855161 432066276 /nfs/dbraw/zinc/06/62/76/432066276.db2.gz FXMXCFZGKUQRPR-ZIFCJYIRSA-N 3 2 317.521 3.436 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000167855161 432066279 /nfs/dbraw/zinc/06/62/79/432066279.db2.gz FXMXCFZGKUQRPR-ZIFCJYIRSA-N 3 2 317.521 3.436 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1Br ZINC000179634573 199067913 /nfs/dbraw/zinc/06/79/13/199067913.db2.gz NWGYQDAQQGLCOP-AWEZNQCLSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1Br ZINC000179634573 199067914 /nfs/dbraw/zinc/06/79/14/199067914.db2.gz NWGYQDAQQGLCOP-AWEZNQCLSA-N 2 2 311.267 3.141 20 0 DGADLP c1cn2c(cccc2C[N@@H+]2CCCN(c3ccccc3)CC2)[nH+]1 ZINC000179828025 199085556 /nfs/dbraw/zinc/08/55/56/199085556.db2.gz MZIANIJPXWVREA-UHFFFAOYSA-N 2 2 306.413 3.047 20 0 DGADLP c1cn2c(cccc2C[N@H+]2CCCN(c3ccccc3)CC2)[nH+]1 ZINC000179828025 199085558 /nfs/dbraw/zinc/08/55/58/199085558.db2.gz MZIANIJPXWVREA-UHFFFAOYSA-N 2 2 306.413 3.047 20 0 DGADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000179992485 199103516 /nfs/dbraw/zinc/10/35/16/199103516.db2.gz BYAANMVMVDMNPM-CVEARBPZSA-N 2 2 317.477 3.054 20 0 DGADLP COc1ccc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000179955189 199098787 /nfs/dbraw/zinc/09/87/87/199098787.db2.gz AROVUMIKHZFFHO-INIZCTEOSA-N 2 2 307.397 3.332 20 0 DGADLP COc1ccc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000179955189 199098789 /nfs/dbraw/zinc/09/87/89/199098789.db2.gz AROVUMIKHZFFHO-INIZCTEOSA-N 2 2 307.397 3.332 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000179981246 199102456 /nfs/dbraw/zinc/10/24/56/199102456.db2.gz ORDOVBKGLXCFDA-CYBMUJFWSA-N 2 2 320.868 3.363 20 0 DGADLP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)ccc1OCC(C)C ZINC000180088772 199115562 /nfs/dbraw/zinc/11/55/62/199115562.db2.gz BUGHTFZFBLQNMG-HNNXBMFYSA-N 2 2 317.433 3.277 20 0 DGADLP OCCC[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCc2ccccc21 ZINC000180243228 199135307 /nfs/dbraw/zinc/13/53/07/199135307.db2.gz UDWQGCAEWNIPTL-IBGZPJMESA-N 2 2 321.424 3.206 20 0 DGADLP OCCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCc2ccccc21 ZINC000180243228 199135309 /nfs/dbraw/zinc/13/53/09/199135309.db2.gz UDWQGCAEWNIPTL-IBGZPJMESA-N 2 2 321.424 3.206 20 0 DGADLP OCC[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCCc2ccccc21 ZINC000180242688 199135464 /nfs/dbraw/zinc/13/54/64/199135464.db2.gz CNTMNWWBZDVHDF-IBGZPJMESA-N 2 2 321.424 3.206 20 0 DGADLP OCC[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCCc2ccccc21 ZINC000180242688 199135466 /nfs/dbraw/zinc/13/54/66/199135466.db2.gz CNTMNWWBZDVHDF-IBGZPJMESA-N 2 2 321.424 3.206 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549803 199174545 /nfs/dbraw/zinc/17/45/45/199174545.db2.gz GMRZJQTWJUPHFX-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549803 199174547 /nfs/dbraw/zinc/17/45/47/199174547.db2.gz GMRZJQTWJUPHFX-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549803 199174548 /nfs/dbraw/zinc/17/45/48/199174548.db2.gz GMRZJQTWJUPHFX-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180549803 199174550 /nfs/dbraw/zinc/17/45/50/199174550.db2.gz GMRZJQTWJUPHFX-ZDUSSCGKSA-N 2 2 318.490 3.047 20 0 DGADLP CCOC(CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000276535868 212944492 /nfs/dbraw/zinc/94/44/92/212944492.db2.gz OFASDQWWXGTODS-HNNXBMFYSA-N 2 2 317.433 3.312 20 0 DGADLP [NH3+]C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C1CCCC1 ZINC000415064975 237049817 /nfs/dbraw/zinc/04/98/17/237049817.db2.gz LWWYABIJASUQFO-AWEZNQCLSA-N 2 2 304.331 3.452 20 0 DGADLP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415038376 237025403 /nfs/dbraw/zinc/02/54/03/237025403.db2.gz NHSAOINBFGGOGZ-YJBOKZPZSA-N 3 2 321.896 3.021 20 0 DGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)sc1Br ZINC000415040441 237027917 /nfs/dbraw/zinc/02/79/17/237027917.db2.gz OIJCOYFXNGUVDW-JTQLQIEISA-N 2 2 303.269 3.049 20 0 DGADLP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415108805 237084272 /nfs/dbraw/zinc/08/42/72/237084272.db2.gz PCKNLQCGGWPAOX-QHAWAJNXSA-N 2 2 323.484 3.372 20 0 DGADLP C[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415127969 237099479 /nfs/dbraw/zinc/09/94/79/237099479.db2.gz JBCCXYSXRVQIFV-PKOBYXMFSA-N 3 2 315.505 3.148 20 0 DGADLP Cc1ccc([NH2+]C2CCC([NH3+])CC2)c(OC[C@@H]2CCCO2)c1 ZINC000415122195 237094286 /nfs/dbraw/zinc/09/42/86/237094286.db2.gz NRKRTRTZZGONGD-GPANFISMSA-N 2 2 304.434 3.235 20 0 DGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237530844 202273218 /nfs/dbraw/zinc/27/32/18/202273218.db2.gz CZUBNYKEYREZDR-OAHLLOKOSA-N 2 2 313.420 3.410 20 0 DGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000188726264 200294676 /nfs/dbraw/zinc/29/46/76/200294676.db2.gz CCQUTHVBDLJTGV-UHFFFAOYSA-N 2 2 315.255 3.252 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000188774333 200301443 /nfs/dbraw/zinc/30/14/43/200301443.db2.gz JDGASIHOIGLUEL-OXHPOLQJSA-N 2 2 316.489 3.444 20 0 DGADLP CCOC1CC(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000188774333 200301444 /nfs/dbraw/zinc/30/14/44/200301444.db2.gz JDGASIHOIGLUEL-OXHPOLQJSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422825581 237801043 /nfs/dbraw/zinc/80/10/43/237801043.db2.gz JSRMUPIRLASRIW-RLCCDNCMSA-N 2 2 310.388 3.396 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000423381389 237845956 /nfs/dbraw/zinc/84/59/56/237845956.db2.gz ZPMAOGVHAUFGSH-XLWVJDPXSA-N 2 2 317.383 3.156 20 0 DGADLP O[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000189311512 200380162 /nfs/dbraw/zinc/38/01/62/200380162.db2.gz DYCFGUPYOFSNLU-WMLDXEAASA-N 2 2 322.880 3.055 20 0 DGADLP C[C@](C[NH3+])([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C1CC1 ZINC000430571925 238079957 /nfs/dbraw/zinc/07/99/57/238079957.db2.gz DRPFAQWVANRMTE-MRXNPFEDSA-N 2 2 305.422 3.166 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430567191 238080122 /nfs/dbraw/zinc/08/01/22/238080122.db2.gz UCZWUVZQBUXVKI-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000430567191 238080123 /nfs/dbraw/zinc/08/01/23/238080123.db2.gz UCZWUVZQBUXVKI-SFHVURJKSA-N 2 2 314.404 3.328 20 0 DGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000430572281 238080432 /nfs/dbraw/zinc/08/04/32/238080432.db2.gz FFRUJWZCOSAENF-GDBMZVCRSA-N 2 2 316.449 3.411 20 0 DGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000430572281 238080433 /nfs/dbraw/zinc/08/04/33/238080433.db2.gz FFRUJWZCOSAENF-GDBMZVCRSA-N 2 2 316.449 3.411 20 0 DGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432224486 238122467 /nfs/dbraw/zinc/12/24/67/238122467.db2.gz AILVOUVFUCPEHG-UHFFFAOYSA-N 2 2 323.239 3.190 20 0 DGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432224486 238122468 /nfs/dbraw/zinc/12/24/68/238122468.db2.gz AILVOUVFUCPEHG-UHFFFAOYSA-N 2 2 323.239 3.190 20 0 DGADLP Oc1cccc2c1C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000433038541 238144120 /nfs/dbraw/zinc/14/41/20/238144120.db2.gz KLKHDGRJWHDMKJ-OALUTQOASA-N 2 2 322.452 3.114 20 0 DGADLP Oc1cccc2c1C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000433038541 238144121 /nfs/dbraw/zinc/14/41/21/238144121.db2.gz KLKHDGRJWHDMKJ-OALUTQOASA-N 2 2 322.452 3.114 20 0 DGADLP Cc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1C ZINC000434659468 238226200 /nfs/dbraw/zinc/22/62/00/238226200.db2.gz QNUXKXQOCJYPPW-UHFFFAOYSA-N 2 2 301.459 3.350 20 0 DGADLP c1cc(C[N@H+](Cc2cscn2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430430 238304145 /nfs/dbraw/zinc/30/41/45/238304145.db2.gz BLLPFZVXRHSYQA-HNNXBMFYSA-N 2 2 319.499 3.349 20 0 DGADLP c1cc(C[N@@H+](Cc2cscn2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430430 238304148 /nfs/dbraw/zinc/30/41/48/238304148.db2.gz BLLPFZVXRHSYQA-HNNXBMFYSA-N 2 2 319.499 3.349 20 0 DGADLP C=Cn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000193883513 201139281 /nfs/dbraw/zinc/13/92/81/201139281.db2.gz LYXBRZABGNQMJA-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP C=Cn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000193883513 201139282 /nfs/dbraw/zinc/13/92/82/201139282.db2.gz LYXBRZABGNQMJA-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCC=CO1 ZINC000193987676 201157192 /nfs/dbraw/zinc/15/71/92/201157192.db2.gz QARZNQRSDIAREO-SFHVURJKSA-N 2 2 315.461 3.313 20 0 DGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCC=CO1 ZINC000193987676 201157194 /nfs/dbraw/zinc/15/71/94/201157194.db2.gz QARZNQRSDIAREO-SFHVURJKSA-N 2 2 315.461 3.313 20 0 DGADLP CN(c1ccc([NH2+]C[C@@H]2CCC=CO2)cc1)C1CC[NH+](C)CC1 ZINC000194101035 201177824 /nfs/dbraw/zinc/17/78/24/201177824.db2.gz UXQZKUFPKAHSFO-IBGZPJMESA-N 2 2 315.461 3.322 20 0 DGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442755023 239117485 /nfs/dbraw/zinc/11/74/85/239117485.db2.gz JGGVHQPJRPAGGA-KGLIPLIRSA-N 2 2 316.474 3.364 20 0 DGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442755023 239117489 /nfs/dbraw/zinc/11/74/89/239117489.db2.gz JGGVHQPJRPAGGA-KGLIPLIRSA-N 2 2 316.474 3.364 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759140 239120385 /nfs/dbraw/zinc/12/03/85/239120385.db2.gz KISMGJLJGZBIAT-UTUOFQBUSA-N 2 2 308.376 3.162 20 0 DGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759140 239120389 /nfs/dbraw/zinc/12/03/89/239120389.db2.gz KISMGJLJGZBIAT-UTUOFQBUSA-N 2 2 308.376 3.162 20 0 DGADLP COCCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000442874526 239142022 /nfs/dbraw/zinc/14/20/22/239142022.db2.gz MKKHLUVNIKEXQW-SJORKVTESA-N 2 2 317.408 3.095 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC[C@H]1C ZINC000195120055 201342937 /nfs/dbraw/zinc/34/29/37/201342937.db2.gz XEHXXUYZJCYYRG-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC[C@H]1C ZINC000195120055 201342941 /nfs/dbraw/zinc/34/29/41/201342941.db2.gz XEHXXUYZJCYYRG-NEWSRXKRSA-N 2 2 304.478 3.158 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000443961082 239242490 /nfs/dbraw/zinc/24/24/90/239242490.db2.gz FEBOTYKVSAKCPI-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP Cc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000443961082 239242491 /nfs/dbraw/zinc/24/24/91/239242491.db2.gz FEBOTYKVSAKCPI-GASCZTMLSA-N 2 2 310.869 3.237 20 0 DGADLP c1csc([C@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCCC2)c1 ZINC000444126148 239260898 /nfs/dbraw/zinc/26/08/98/239260898.db2.gz ZLNNYFKHVYINOB-KRWDZBQOSA-N 2 2 324.453 3.362 20 0 DGADLP Cc1cc(Br)ccc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000444708713 239333273 /nfs/dbraw/zinc/33/32/73/239333273.db2.gz RNGIIIRKHKNFLV-UHFFFAOYSA-N 2 2 308.223 3.086 20 0 DGADLP Cc1cc(Br)ccc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000444708713 239333281 /nfs/dbraw/zinc/33/32/81/239333281.db2.gz RNGIIIRKHKNFLV-UHFFFAOYSA-N 2 2 308.223 3.086 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)C3(C)CC3)c2cc1C ZINC000246141279 432101220 /nfs/dbraw/zinc/10/12/20/432101220.db2.gz NVIJYBDKXOEGDJ-CVEARBPZSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)C3(C)CC3)c2cc1C ZINC000246141279 432101221 /nfs/dbraw/zinc/10/12/21/432101221.db2.gz NVIJYBDKXOEGDJ-CVEARBPZSA-N 2 2 315.461 3.134 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000449107909 240021119 /nfs/dbraw/zinc/02/11/19/240021119.db2.gz OYPRMGNJFSROMS-FQEVSTJZSA-N 3 2 321.553 3.494 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)sc1Cl ZINC000449220579 240075738 /nfs/dbraw/zinc/07/57/38/240075738.db2.gz CZZCHWAAYQFTHD-JTQLQIEISA-N 2 2 323.289 3.255 20 0 DGADLP CC[N@H+](CCO)CC[NH2+]Cc1ccccc1-c1ccccc1C ZINC000449246026 240091102 /nfs/dbraw/zinc/09/11/02/240091102.db2.gz ACABUBBGTVTYNK-UHFFFAOYSA-N 2 2 312.457 3.066 20 0 DGADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccccc1-c1ccccc1C ZINC000449246026 240091107 /nfs/dbraw/zinc/09/11/07/240091107.db2.gz ACABUBBGTVTYNK-UHFFFAOYSA-N 2 2 312.457 3.066 20 0 DGADLP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449432264 240201173 /nfs/dbraw/zinc/20/11/73/240201173.db2.gz GOGHZLHXBNWOLK-MSOLQXFVSA-N 2 2 301.478 3.462 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449469654 240225531 /nfs/dbraw/zinc/22/55/31/240225531.db2.gz UXSNGCFILUDSPY-RDJZCZTQSA-N 2 2 315.486 3.419 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449469654 240225536 /nfs/dbraw/zinc/22/55/36/240225536.db2.gz UXSNGCFILUDSPY-RDJZCZTQSA-N 2 2 315.486 3.419 20 0 DGADLP CCC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)(C)C ZINC000449471893 240229268 /nfs/dbraw/zinc/22/92/68/240229268.db2.gz PMVFJIWCFHVOGU-INIZCTEOSA-N 2 2 312.498 3.208 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449686650 240369856 /nfs/dbraw/zinc/36/98/56/240369856.db2.gz XQKQWEALGIJZGX-ZIFCJYIRSA-N 2 2 302.462 3.228 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449686650 240369859 /nfs/dbraw/zinc/36/98/59/240369859.db2.gz XQKQWEALGIJZGX-ZIFCJYIRSA-N 2 2 302.462 3.228 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C(C)C)cc1 ZINC000091339295 193043217 /nfs/dbraw/zinc/04/32/17/193043217.db2.gz FVJVLKWOOFLVKU-SFHVURJKSA-N 2 2 320.477 3.093 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(C)c2)C1 ZINC000091472026 193061329 /nfs/dbraw/zinc/06/13/29/193061329.db2.gz NSZJICXLALKCNG-AWEZNQCLSA-N 2 2 311.267 3.189 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(C)c2)C1 ZINC000091472026 193061331 /nfs/dbraw/zinc/06/13/31/193061331.db2.gz NSZJICXLALKCNG-AWEZNQCLSA-N 2 2 311.267 3.189 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675919 193089507 /nfs/dbraw/zinc/08/95/07/193089507.db2.gz XBLYPDOBEUHNAO-CYBMUJFWSA-N 2 2 314.832 3.132 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675919 193089509 /nfs/dbraw/zinc/08/95/09/193089509.db2.gz XBLYPDOBEUHNAO-CYBMUJFWSA-N 2 2 314.832 3.132 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675919 193089511 /nfs/dbraw/zinc/08/95/11/193089511.db2.gz XBLYPDOBEUHNAO-CYBMUJFWSA-N 2 2 314.832 3.132 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675919 193089512 /nfs/dbraw/zinc/08/95/12/193089512.db2.gz XBLYPDOBEUHNAO-CYBMUJFWSA-N 2 2 314.832 3.132 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000091892617 193123484 /nfs/dbraw/zinc/12/34/84/193123484.db2.gz KNRVPHORAIUKFD-MJGOQNOKSA-N 2 2 324.472 3.239 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000091892617 193123486 /nfs/dbraw/zinc/12/34/86/193123486.db2.gz KNRVPHORAIUKFD-MJGOQNOKSA-N 2 2 324.472 3.239 20 0 DGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000091959840 193132677 /nfs/dbraw/zinc/13/26/77/193132677.db2.gz HYMYCTACKSUAPV-RDTXWAMCSA-N 2 2 315.465 3.190 20 0 DGADLP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000091959840 193132679 /nfs/dbraw/zinc/13/26/79/193132679.db2.gz HYMYCTACKSUAPV-RDTXWAMCSA-N 2 2 315.465 3.190 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453401075 241767211 /nfs/dbraw/zinc/76/72/11/241767211.db2.gz DKQYMMYJRONIBZ-WMZOPIPTSA-N 2 2 319.493 3.087 20 0 DGADLP CCC(C)(C)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453401075 241767216 /nfs/dbraw/zinc/76/72/16/241767216.db2.gz DKQYMMYJRONIBZ-WMZOPIPTSA-N 2 2 319.493 3.087 20 0 DGADLP Cc1cc(C)c(CNC(=O)NCCC[NH+](C(C)C)C(C)C)c[nH+]1 ZINC000454647755 242000748 /nfs/dbraw/zinc/00/07/48/242000748.db2.gz JQYWBXOLELPLOZ-UHFFFAOYSA-N 2 2 320.481 3.007 20 0 DGADLP Cc1cc(C)c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(C)[nH+]1 ZINC000455522166 242223935 /nfs/dbraw/zinc/22/39/35/242223935.db2.gz NEWZCCPYSBNZHK-GOEBONIOSA-N 2 2 316.449 3.097 20 0 DGADLP Cc1cccn2c(CN3CCC[C@@H]3C[NH+]3CCCCC3)c[nH+]c12 ZINC000092218982 193175706 /nfs/dbraw/zinc/17/57/06/193175706.db2.gz AWTLZLRGFGSOLO-QGZVFWFLSA-N 2 2 312.461 3.093 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)no1 ZINC000459382849 243353252 /nfs/dbraw/zinc/35/32/52/243353252.db2.gz AMQDQCSTUMHVRG-AWEZNQCLSA-N 2 2 305.447 3.046 20 0 DGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)no1 ZINC000459382849 243353255 /nfs/dbraw/zinc/35/32/55/243353255.db2.gz AMQDQCSTUMHVRG-AWEZNQCLSA-N 2 2 305.447 3.046 20 0 DGADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000459508859 243394135 /nfs/dbraw/zinc/39/41/35/243394135.db2.gz KPLWWGWUNSFAGA-UHFFFAOYSA-N 2 2 319.399 3.196 20 0 DGADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CC(C)C3)[nH+]c12 ZINC000467634627 244000333 /nfs/dbraw/zinc/00/03/33/244000333.db2.gz JCBGWNPXEUUHTQ-UHFFFAOYSA-N 2 2 322.250 3.336 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000469080541 244082361 /nfs/dbraw/zinc/08/23/61/244082361.db2.gz PZATWEPYTBJLMQ-FHWLQOOXSA-N 3 2 309.542 3.207 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000469080541 244082366 /nfs/dbraw/zinc/08/23/66/244082366.db2.gz PZATWEPYTBJLMQ-FHWLQOOXSA-N 3 2 309.542 3.207 20 0 DGADLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000470016508 244139343 /nfs/dbraw/zinc/13/93/43/244139343.db2.gz UXDMDAOYZHHLQI-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000470016508 244139349 /nfs/dbraw/zinc/13/93/49/244139349.db2.gz UXDMDAOYZHHLQI-CQSZACIVSA-N 2 2 316.367 3.202 20 0 DGADLP COC1CC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000470251865 244161317 /nfs/dbraw/zinc/16/13/17/244161317.db2.gz GXRRSSAUJHKQEM-ZLPCBKJTSA-N 2 2 302.462 3.417 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029915 212082623 /nfs/dbraw/zinc/08/26/23/212082623.db2.gz BUJPJVCERCFQLC-KXBFYZLASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000275029915 212082626 /nfs/dbraw/zinc/08/26/26/212082626.db2.gz BUJPJVCERCFQLC-KXBFYZLASA-N 2 2 313.420 3.221 20 0 DGADLP C[C@H](C[NH2+][C@@H](C)c1nc2c(s1)CCCC2)C[NH+]1CCCC1 ZINC000093399377 193245094 /nfs/dbraw/zinc/24/50/94/193245094.db2.gz ZNQUWCFXRNPSPV-KGLIPLIRSA-N 2 2 307.507 3.404 20 0 DGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000093597956 193272381 /nfs/dbraw/zinc/27/23/81/193272381.db2.gz VXIRUQKNCMWLLE-AWEZNQCLSA-N 2 2 307.507 3.358 20 0 DGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000093597956 193272382 /nfs/dbraw/zinc/27/23/82/193272382.db2.gz VXIRUQKNCMWLLE-AWEZNQCLSA-N 2 2 307.507 3.358 20 0 DGADLP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094342068 193362612 /nfs/dbraw/zinc/36/26/12/193362612.db2.gz SNTOWTHRFRPZAY-MFKMUULPSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094342068 193362613 /nfs/dbraw/zinc/36/26/13/193362613.db2.gz SNTOWTHRFRPZAY-MFKMUULPSA-N 2 2 303.233 3.041 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@H](c1ccccc1)[NH+](C)C ZINC000186320758 296156440 /nfs/dbraw/zinc/15/64/40/296156440.db2.gz UCOJQVAXXFJKNY-LSBZLQRGSA-N 2 2 312.461 3.079 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122051423 284212168 /nfs/dbraw/zinc/21/21/68/284212168.db2.gz MYZMAABEBCGBBG-SJLPKXTDSA-N 2 2 300.446 3.073 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122051423 284212169 /nfs/dbraw/zinc/21/21/69/284212169.db2.gz MYZMAABEBCGBBG-SJLPKXTDSA-N 2 2 300.446 3.073 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000486980666 245009022 /nfs/dbraw/zinc/00/90/22/245009022.db2.gz KKJTYJUBQUFBTE-FUHWJXTLSA-N 2 2 324.472 3.344 20 0 DGADLP CC(C)c1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000486980666 245009025 /nfs/dbraw/zinc/00/90/25/245009025.db2.gz KKJTYJUBQUFBTE-FUHWJXTLSA-N 2 2 324.472 3.344 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000486941740 245001823 /nfs/dbraw/zinc/00/18/23/245001823.db2.gz LYZPAPNVXKOQDU-UHFFFAOYSA-N 2 2 305.447 3.367 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000486946900 245002867 /nfs/dbraw/zinc/00/28/67/245002867.db2.gz BBBVMJMAFWMPEI-LSDHHAIUSA-N 2 2 308.853 3.455 20 0 DGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000486946900 245002870 /nfs/dbraw/zinc/00/28/70/245002870.db2.gz BBBVMJMAFWMPEI-LSDHHAIUSA-N 2 2 308.853 3.455 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)C[NH+]1CCOCC1 ZINC000123291848 284235805 /nfs/dbraw/zinc/23/58/05/284235805.db2.gz ZBJFKLIDBZYIKO-QRQLOZEOSA-N 2 2 316.489 3.127 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489824135 245351429 /nfs/dbraw/zinc/35/14/29/245351429.db2.gz IGGRNZYNDWNEFC-QXAKKESOSA-N 2 2 304.478 3.444 20 0 DGADLP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489824135 245351433 /nfs/dbraw/zinc/35/14/33/245351433.db2.gz IGGRNZYNDWNEFC-QXAKKESOSA-N 2 2 304.478 3.444 20 0 DGADLP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246355748 432124161 /nfs/dbraw/zinc/12/41/61/432124161.db2.gz WRCAMLCRUMYHNS-YJBOKZPZSA-N 2 2 313.445 3.462 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(-c2cnn(C)c2)c1 ZINC000282788033 217251130 /nfs/dbraw/zinc/25/11/30/217251130.db2.gz YHXXLTYAGNSBFV-MRXNPFEDSA-N 2 2 323.444 3.018 20 0 DGADLP COCc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1 ZINC000266205075 205181786 /nfs/dbraw/zinc/18/17/86/205181786.db2.gz MPQOFDQEBLJANH-UHFFFAOYSA-N 2 2 309.413 3.281 20 0 DGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)ccc1F ZINC000019905663 182163310 /nfs/dbraw/zinc/16/33/10/182163310.db2.gz ZUOYMEFRVCICMF-UHFFFAOYSA-N 2 2 317.246 3.266 20 0 DGADLP Fc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000494431821 246146048 /nfs/dbraw/zinc/14/60/48/246146048.db2.gz RBSBLSNGDIOJJJ-CYBMUJFWSA-N 2 2 313.298 3.146 20 0 DGADLP Clc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c2ncccc12 ZINC000494395577 246143453 /nfs/dbraw/zinc/14/34/53/246143453.db2.gz XWYVGTCMEBMYER-ZDUSSCGKSA-N 2 2 312.804 3.189 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267538591 206131976 /nfs/dbraw/zinc/13/19/76/206131976.db2.gz WXMOWMZHDVEZMS-KSSFIOAISA-N 2 2 313.445 3.434 20 0 DGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267538591 206131981 /nfs/dbraw/zinc/13/19/81/206131981.db2.gz WXMOWMZHDVEZMS-KSSFIOAISA-N 2 2 313.445 3.434 20 0 DGADLP CCn1nc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc21 ZINC000274471390 211641771 /nfs/dbraw/zinc/64/17/71/211641771.db2.gz VOWZNVICUTWMMA-UHFFFAOYSA-N 2 2 314.477 3.409 20 0 DGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)c(OC)c1 ZINC000268796727 432137270 /nfs/dbraw/zinc/13/72/70/432137270.db2.gz GGPQXVNURNNAPL-ZFWWWQNUSA-N 2 2 303.406 3.030 20 0 DGADLP Fc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000246493301 432138028 /nfs/dbraw/zinc/13/80/28/432138028.db2.gz HIHAETWFMVOHGW-GUYCJALGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000246493301 432138030 /nfs/dbraw/zinc/13/80/30/432138030.db2.gz HIHAETWFMVOHGW-GUYCJALGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000246493301 432138035 /nfs/dbraw/zinc/13/80/35/432138035.db2.gz HIHAETWFMVOHGW-GUYCJALGSA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000246493301 432138038 /nfs/dbraw/zinc/13/80/38/432138038.db2.gz HIHAETWFMVOHGW-GUYCJALGSA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268813319 432140589 /nfs/dbraw/zinc/14/05/89/432140589.db2.gz JRSZHHHBUINPCH-DQYPLSBCSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268813319 432140593 /nfs/dbraw/zinc/14/05/93/432140593.db2.gz JRSZHHHBUINPCH-DQYPLSBCSA-N 2 2 304.409 3.112 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246596025 432147278 /nfs/dbraw/zinc/14/72/78/432147278.db2.gz GBSJBCGYMRFYOD-MAUKXSAKSA-N 2 2 322.880 3.445 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246596025 432147282 /nfs/dbraw/zinc/14/72/82/432147282.db2.gz GBSJBCGYMRFYOD-MAUKXSAKSA-N 2 2 322.880 3.445 20 0 DGADLP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1Br ZINC000041064095 183161072 /nfs/dbraw/zinc/16/10/72/183161072.db2.gz ZHLCJWOZVXMOMZ-NSHDSACASA-N 2 2 324.222 3.005 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Br ZINC000042419247 183267637 /nfs/dbraw/zinc/26/76/37/183267637.db2.gz YSDQVJZGGWYQPL-JMSVASOKSA-N 2 2 311.267 3.267 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Br ZINC000042419247 183267641 /nfs/dbraw/zinc/26/76/41/183267641.db2.gz YSDQVJZGGWYQPL-JMSVASOKSA-N 2 2 311.267 3.267 20 0 DGADLP Brc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000043675093 183378417 /nfs/dbraw/zinc/37/84/17/183378417.db2.gz NVKXOMLRKDQJFK-JTQLQIEISA-N 2 2 315.280 3.085 20 0 DGADLP Brc1ccsc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000043675093 183378420 /nfs/dbraw/zinc/37/84/20/183378420.db2.gz NVKXOMLRKDQJFK-JTQLQIEISA-N 2 2 315.280 3.085 20 0 DGADLP C[C@H](O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000104684239 194026816 /nfs/dbraw/zinc/02/68/16/194026816.db2.gz ZTSQIWRRWPGXMF-INIZCTEOSA-N 2 2 313.445 3.388 20 0 DGADLP C[C@H](O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000104684239 194026817 /nfs/dbraw/zinc/02/68/17/194026817.db2.gz ZTSQIWRRWPGXMF-INIZCTEOSA-N 2 2 313.445 3.388 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCC2 ZINC000181672894 284738727 /nfs/dbraw/zinc/73/87/27/284738727.db2.gz LQFUQYFKPIXZTE-JKSUJKDBSA-N 2 2 303.450 3.211 20 0 DGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000105480824 194105301 /nfs/dbraw/zinc/10/53/01/194105301.db2.gz CQLWVVZCYOJQKG-YGRLFVJLSA-N 2 2 315.230 3.018 20 0 DGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000105480824 194105303 /nfs/dbraw/zinc/10/53/03/194105303.db2.gz CQLWVVZCYOJQKG-YGRLFVJLSA-N 2 2 315.230 3.018 20 0 DGADLP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000184274650 284747288 /nfs/dbraw/zinc/74/72/88/284747288.db2.gz PETXKOIBUAIYFO-MRXNPFEDSA-N 2 2 306.413 3.486 20 0 DGADLP Fc1cc2cccnc2c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109795705 194287038 /nfs/dbraw/zinc/28/70/38/194287038.db2.gz BCDRGVUSEXKDCJ-UHFFFAOYSA-N 2 2 310.376 3.408 20 0 DGADLP C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268843264 207008307 /nfs/dbraw/zinc/00/83/07/207008307.db2.gz NXNFMOWRONQNLJ-VOBQZIQPSA-N 2 2 319.408 3.181 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268849211 207015337 /nfs/dbraw/zinc/01/53/37/207015337.db2.gz XRZWMEWZAPVZMS-CQSZACIVSA-N 3 2 309.417 3.036 20 0 DGADLP CC(C)c1nc(NCc2ccc(Cn3cc[nH+]c3)cc2)cc[nH+]1 ZINC000110224925 194316936 /nfs/dbraw/zinc/31/69/36/194316936.db2.gz JHHQCXUFTAIIOY-UHFFFAOYSA-N 2 2 307.401 3.457 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896444 207064140 /nfs/dbraw/zinc/06/41/40/207064140.db2.gz KGQLZTZUSPSPOZ-ZWKOTPCHSA-N 2 2 323.912 3.263 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1 ZINC000268896444 207064143 /nfs/dbraw/zinc/06/41/43/207064143.db2.gz KGQLZTZUSPSPOZ-ZWKOTPCHSA-N 2 2 323.912 3.263 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000268925277 207090824 /nfs/dbraw/zinc/09/08/24/207090824.db2.gz VYAADKMSHZUHBV-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000268925277 207090826 /nfs/dbraw/zinc/09/08/26/207090826.db2.gz VYAADKMSHZUHBV-WMLDXEAASA-N 2 2 315.486 3.452 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268974281 207137541 /nfs/dbraw/zinc/13/75/41/207137541.db2.gz OHYHOIBYTYHJPT-QRQLOZEOSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268974281 207137545 /nfs/dbraw/zinc/13/75/45/207137545.db2.gz OHYHOIBYTYHJPT-QRQLOZEOSA-N 2 2 314.473 3.198 20 0 DGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000268998252 207154089 /nfs/dbraw/zinc/15/40/89/207154089.db2.gz KYQNMLATVSVFGH-QWRGUYRKSA-N 2 2 304.356 3.418 20 0 DGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000269010503 207162146 /nfs/dbraw/zinc/16/21/46/207162146.db2.gz XFMAWNDJDIIQAH-DLBZAZTESA-N 2 2 308.491 3.173 20 0 DGADLP CC[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269038383 207188251 /nfs/dbraw/zinc/18/82/51/207188251.db2.gz WAPSQHPHWMARLZ-KRWDZBQOSA-N 2 2 310.869 3.055 20 0 DGADLP C[C@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269121919 207256453 /nfs/dbraw/zinc/25/64/53/207256453.db2.gz FWLFGHAMRYXPNF-WMLDXEAASA-N 2 2 302.466 3.213 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H](Cc2ccccc2)C2CC2)C[C@@H](C)O1 ZINC000247969249 284981187 /nfs/dbraw/zinc/98/11/87/284981187.db2.gz ITAZADDDOGNGJX-MBOZVWFJSA-N 2 2 316.489 3.097 20 0 DGADLP C[C@@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C[C@H]1C ZINC000248600001 285009220 /nfs/dbraw/zinc/00/92/20/285009220.db2.gz UUGHYXOTWXMZNF-MCIONIFRSA-N 2 2 322.416 3.447 20 0 DGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248630070 285012392 /nfs/dbraw/zinc/01/23/92/285012392.db2.gz GUHBLMHUCIOYJE-RVKKMQEKSA-N 2 2 320.477 3.388 20 0 DGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000119115343 194976185 /nfs/dbraw/zinc/97/61/85/194976185.db2.gz RIXWHSJFKRZTBQ-HXUWFJFHSA-N 2 2 307.441 3.323 20 0 DGADLP Cc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119873256 195053876 /nfs/dbraw/zinc/05/38/76/195053876.db2.gz VGQRJPLYQRCJAN-JTDSTZFVSA-N 2 2 302.462 3.071 20 0 DGADLP Cc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119873256 195053878 /nfs/dbraw/zinc/05/38/78/195053878.db2.gz VGQRJPLYQRCJAN-JTDSTZFVSA-N 2 2 302.462 3.071 20 0 DGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000119925553 195063417 /nfs/dbraw/zinc/06/34/17/195063417.db2.gz DKGQLJSQPROETN-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000119925553 195063418 /nfs/dbraw/zinc/06/34/18/195063418.db2.gz DKGQLJSQPROETN-MJBXVCDLSA-N 2 2 312.404 3.115 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000249096979 285054757 /nfs/dbraw/zinc/05/47/57/285054757.db2.gz OSQXXPISLDFAOB-NEWSRXKRSA-N 2 2 304.478 3.473 20 0 DGADLP CCOC[C@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000249096979 285054760 /nfs/dbraw/zinc/05/47/60/285054760.db2.gz OSQXXPISLDFAOB-NEWSRXKRSA-N 2 2 304.478 3.473 20 0 DGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430575145 533026666 /nfs/dbraw/zinc/02/66/66/533026666.db2.gz KCPVERGDPWHMDO-XJKSGUPXSA-N 2 2 323.506 3.041 20 0 DGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430575145 533026675 /nfs/dbraw/zinc/02/66/75/533026675.db2.gz KCPVERGDPWHMDO-XJKSGUPXSA-N 2 2 323.506 3.041 20 0 DGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1 ZINC000336852307 253007565 /nfs/dbraw/zinc/00/75/65/253007565.db2.gz NUSGLILDTABMMQ-INIZCTEOSA-N 2 2 304.413 3.112 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000270097711 208157126 /nfs/dbraw/zinc/15/71/26/208157126.db2.gz BGRIBYYSYMXQHX-IAGOWNOFSA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000270097711 208157132 /nfs/dbraw/zinc/15/71/32/208157132.db2.gz BGRIBYYSYMXQHX-IAGOWNOFSA-N 2 2 313.445 3.378 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000337297128 253080642 /nfs/dbraw/zinc/08/06/42/253080642.db2.gz OPYUBYHNMLSRRH-UGSOOPFHSA-N 2 2 303.425 3.169 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000337297128 253080644 /nfs/dbraw/zinc/08/06/44/253080644.db2.gz OPYUBYHNMLSRRH-UGSOOPFHSA-N 2 2 303.425 3.169 20 0 DGADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1Br ZINC000337316699 253085231 /nfs/dbraw/zinc/08/52/31/253085231.db2.gz KSBNFXYHGYCPEU-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1Br ZINC000337316699 253085233 /nfs/dbraw/zinc/08/52/33/253085233.db2.gz KSBNFXYHGYCPEU-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ncccc1C(F)(F)F ZINC000337227272 253065245 /nfs/dbraw/zinc/06/52/45/253065245.db2.gz PYDAHAKEFOLBJK-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ncccc1C(F)(F)F ZINC000337227272 253065247 /nfs/dbraw/zinc/06/52/47/253065247.db2.gz PYDAHAKEFOLBJK-UHFFFAOYSA-N 2 2 301.356 3.018 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1OC ZINC000337363285 253097636 /nfs/dbraw/zinc/09/76/36/253097636.db2.gz AFYOIRWVPDZQGS-ZOBUZTSGSA-N 2 2 320.477 3.016 20 0 DGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1OC ZINC000337363285 253097637 /nfs/dbraw/zinc/09/76/37/253097637.db2.gz AFYOIRWVPDZQGS-ZOBUZTSGSA-N 2 2 320.477 3.016 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1C ZINC000337417758 253111908 /nfs/dbraw/zinc/11/19/08/253111908.db2.gz DQLRMJGVGRNISM-PMPSAXMXSA-N 2 2 304.482 3.032 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1C ZINC000337417758 253111910 /nfs/dbraw/zinc/11/19/10/253111910.db2.gz DQLRMJGVGRNISM-PMPSAXMXSA-N 2 2 304.482 3.032 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)COC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000337334935 253090130 /nfs/dbraw/zinc/09/01/30/253090130.db2.gz LBSZUWHDPQIEEI-LPHOPBHVSA-N 2 2 304.478 3.226 20 0 DGADLP CC[C@@H](C[NH2+][C@@H](C)COC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000337334935 253090133 /nfs/dbraw/zinc/09/01/33/253090133.db2.gz LBSZUWHDPQIEEI-LPHOPBHVSA-N 2 2 304.478 3.226 20 0 DGADLP CSc1ccccc1[C@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000442870426 533061457 /nfs/dbraw/zinc/06/14/57/533061457.db2.gz CUGLUHPSTGQNDS-CABCVRRESA-N 2 2 308.491 3.170 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)n1-c1ccccc1 ZINC000273015549 210394653 /nfs/dbraw/zinc/39/46/53/210394653.db2.gz CSUAHDIPZHXJJV-RDJZCZTQSA-N 2 2 313.445 3.476 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]CCC3C[C@H](C)O[C@@H](C)C3)n2c1 ZINC000338480057 253294854 /nfs/dbraw/zinc/29/48/54/253294854.db2.gz BPURCPRAYWBLTR-GJZGRUSLSA-N 2 2 301.434 3.326 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284363280 285150778 /nfs/dbraw/zinc/15/07/78/285150778.db2.gz NEKTYKZFRKFROC-IPELMVKDSA-N 2 2 320.477 3.093 20 0 DGADLP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000157810697 197217980 /nfs/dbraw/zinc/21/79/80/197217980.db2.gz RSXZCSIHHAVQFV-IAGOWNOFSA-N 2 2 314.477 3.381 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@H]1Oc1ccccc1 ZINC000342571030 254010745 /nfs/dbraw/zinc/01/07/45/254010745.db2.gz BPZQLTLPIYLWBY-USXIJHARSA-N 2 2 311.429 3.034 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000342694421 254033619 /nfs/dbraw/zinc/03/36/19/254033619.db2.gz VIZNRZNANOLZNV-UHFFFAOYSA-N 2 2 324.509 3.210 20 0 DGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000342732309 254039289 /nfs/dbraw/zinc/03/92/89/254039289.db2.gz HSEPUUPTCMKWQH-ZWKOTPCHSA-N 2 2 301.478 3.492 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777672 254047430 /nfs/dbraw/zinc/04/74/30/254047430.db2.gz IARKFGDKRSLGGW-GDBMZVCRSA-N 2 2 304.482 3.079 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777672 254047432 /nfs/dbraw/zinc/04/74/32/254047432.db2.gz IARKFGDKRSLGGW-GDBMZVCRSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777672 254047433 /nfs/dbraw/zinc/04/74/33/254047433.db2.gz IARKFGDKRSLGGW-GDBMZVCRSA-N 2 2 304.482 3.079 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC000342777672 254047436 /nfs/dbraw/zinc/04/74/36/254047436.db2.gz IARKFGDKRSLGGW-GDBMZVCRSA-N 2 2 304.482 3.079 20 0 DGADLP CCC[C@H]1CN(c2cc[nH+]c(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000342789416 254050329 /nfs/dbraw/zinc/05/03/29/254050329.db2.gz BLEMMFKHHYQOQO-SFHVURJKSA-N 2 2 310.445 3.276 20 0 DGADLP c1cc2cccc(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)c2[nH]1 ZINC000343475674 254149628 /nfs/dbraw/zinc/14/96/28/254149628.db2.gz UOCHVNKDSRQPKI-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP c1sc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1C1CC1 ZINC000343532256 254156363 /nfs/dbraw/zinc/15/63/63/254156363.db2.gz PKPGKUFXAUSLGQ-ZDUSSCGKSA-N 2 2 314.458 3.350 20 0 DGADLP c1sc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1C1CC1 ZINC000343532256 254156366 /nfs/dbraw/zinc/15/63/66/254156366.db2.gz PKPGKUFXAUSLGQ-ZDUSSCGKSA-N 2 2 314.458 3.350 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC000343532067 254156683 /nfs/dbraw/zinc/15/66/83/254156683.db2.gz FJXQUMMYWCYASK-AWEZNQCLSA-N 2 2 302.447 3.190 20 0 DGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)cs1 ZINC000343532067 254156686 /nfs/dbraw/zinc/15/66/86/254156686.db2.gz FJXQUMMYWCYASK-AWEZNQCLSA-N 2 2 302.447 3.190 20 0 DGADLP CCCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000343583579 254164513 /nfs/dbraw/zinc/16/45/13/254164513.db2.gz SEOGPVBOSONGNJ-OAHLLOKOSA-N 2 2 317.433 3.421 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)CCS2 ZINC000343461002 254147031 /nfs/dbraw/zinc/14/70/31/254147031.db2.gz JLVGUGACLSYJTJ-APHBMKBZSA-N 2 2 306.475 3.304 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)CCS2 ZINC000343461002 254147033 /nfs/dbraw/zinc/14/70/33/254147033.db2.gz JLVGUGACLSYJTJ-APHBMKBZSA-N 2 2 306.475 3.304 20 0 DGADLP Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000343634633 254171151 /nfs/dbraw/zinc/17/11/51/254171151.db2.gz RPCBDBHCIRIHCT-UHFFFAOYSA-N 2 2 310.445 3.229 20 0 DGADLP Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000343634633 254171152 /nfs/dbraw/zinc/17/11/52/254171152.db2.gz RPCBDBHCIRIHCT-UHFFFAOYSA-N 2 2 310.445 3.229 20 0 DGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343830324 254193584 /nfs/dbraw/zinc/19/35/84/254193584.db2.gz BMDVUPJFEWNREG-SECBINFHSA-N 2 2 309.401 3.400 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000343864189 254197142 /nfs/dbraw/zinc/19/71/42/254197142.db2.gz PXFLUHCVKFIKOS-SECBINFHSA-N 2 2 319.396 3.439 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)C1 ZINC000343892971 254200243 /nfs/dbraw/zinc/20/02/43/254200243.db2.gz QJRCAFFIHUKCNX-QAPCUYQASA-N 2 2 317.477 3.101 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)C1 ZINC000343892971 254200245 /nfs/dbraw/zinc/20/02/45/254200245.db2.gz QJRCAFFIHUKCNX-QAPCUYQASA-N 2 2 317.477 3.101 20 0 DGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000344023580 254214830 /nfs/dbraw/zinc/21/48/30/254214830.db2.gz OOCVLIYZNNHEGV-HUUCEWRRSA-N 2 2 316.445 3.103 20 0 DGADLP CC1(C)[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@H]2CCCO[C@@H]21 ZINC000344103965 254225184 /nfs/dbraw/zinc/22/51/84/254225184.db2.gz PCSJEIJPAMLLMX-KURKYZTESA-N 2 2 311.429 3.166 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C12CCC2 ZINC000344157081 254232609 /nfs/dbraw/zinc/23/26/09/254232609.db2.gz ZUSNVYMNPRHWHS-IPMKNSEASA-N 2 2 316.489 3.097 20 0 DGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(C3CCCC3)cc2)CC1 ZINC000343992404 254209874 /nfs/dbraw/zinc/20/98/74/254209874.db2.gz VCKRLYLZCKSLIG-UHFFFAOYSA-N 2 2 316.489 3.233 20 0 DGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C3CCCC3)cc2)CC1 ZINC000343992404 254209875 /nfs/dbraw/zinc/20/98/75/254209875.db2.gz VCKRLYLZCKSLIG-UHFFFAOYSA-N 2 2 316.489 3.233 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000344688418 254295915 /nfs/dbraw/zinc/29/59/15/254295915.db2.gz BMIHXVIGVCAZNV-LEUOFYLZSA-N 2 2 302.462 3.225 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000344688418 254295917 /nfs/dbraw/zinc/29/59/17/254295917.db2.gz BMIHXVIGVCAZNV-LEUOFYLZSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000344635528 254291025 /nfs/dbraw/zinc/29/10/25/254291025.db2.gz UENHACDJHJQARL-WCQYABFASA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000344635528 254291027 /nfs/dbraw/zinc/29/10/27/254291027.db2.gz UENHACDJHJQARL-WCQYABFASA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@@H+]1C ZINC000344664928 254294339 /nfs/dbraw/zinc/29/43/39/254294339.db2.gz JMCGNSTZLUVYAV-AAEUAGOBSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664928 254294340 /nfs/dbraw/zinc/29/43/40/254294340.db2.gz JMCGNSTZLUVYAV-AAEUAGOBSA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@@H+]1C ZINC000344664930 254294372 /nfs/dbraw/zinc/29/43/72/254294372.db2.gz JMCGNSTZLUVYAV-WCQYABFASA-N 2 2 307.488 3.444 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[N@H+]1C ZINC000344664930 254294374 /nfs/dbraw/zinc/29/43/74/254294374.db2.gz JMCGNSTZLUVYAV-WCQYABFASA-N 2 2 307.488 3.444 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(C(C)C)s1)CCC2 ZINC000344555377 254282766 /nfs/dbraw/zinc/28/27/66/254282766.db2.gz YUFFWKRVGWGNEB-CYBMUJFWSA-N 2 2 304.463 3.439 20 0 DGADLP COC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000345150638 254334209 /nfs/dbraw/zinc/33/42/09/254334209.db2.gz CRNPHXDFQBMXKO-DOMZBBRYSA-N 2 2 318.383 3.323 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000344765441 254303782 /nfs/dbraw/zinc/30/37/82/254303782.db2.gz OUXKNQFLBJBIBP-MBOZVWFJSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000344765441 254303783 /nfs/dbraw/zinc/30/37/83/254303783.db2.gz OUXKNQFLBJBIBP-MBOZVWFJSA-N 2 2 309.457 3.438 20 0 DGADLP COCc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000344788899 254305910 /nfs/dbraw/zinc/30/59/10/254305910.db2.gz LGAXTYTUMBUUQY-UHFFFAOYSA-N 2 2 306.450 3.313 20 0 DGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)n2c1 ZINC000344969752 254319730 /nfs/dbraw/zinc/31/97/30/254319730.db2.gz VVLCWPYDBPWDIZ-UHFFFAOYSA-N 2 2 321.380 3.150 20 0 DGADLP COCC[N@H+](C)CC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345316419 254352569 /nfs/dbraw/zinc/35/25/69/254352569.db2.gz JXCOGLPMDALXGU-KRWDZBQOSA-N 2 2 310.869 3.349 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345316419 254352570 /nfs/dbraw/zinc/35/25/70/254352570.db2.gz JXCOGLPMDALXGU-KRWDZBQOSA-N 2 2 310.869 3.349 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cnn1C(C)(C)C ZINC000345320488 254353027 /nfs/dbraw/zinc/35/30/27/254353027.db2.gz YUXPWHIROPXMSZ-IGCXYCKISA-N 2 2 304.482 3.080 20 0 DGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000479848153 285218375 /nfs/dbraw/zinc/21/83/75/285218375.db2.gz FGLOJIHYPBLFGY-MOPGFXCFSA-N 2 2 304.478 3.474 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@H](C)C1 ZINC000155012937 197013233 /nfs/dbraw/zinc/01/32/33/197013233.db2.gz DEIUAULZDCKOJU-TZMCWYRMSA-N 2 2 305.447 3.223 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@H](C)C1 ZINC000155012937 197013235 /nfs/dbraw/zinc/01/32/35/197013235.db2.gz DEIUAULZDCKOJU-TZMCWYRMSA-N 2 2 305.447 3.223 20 0 DGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000415078289 533189846 /nfs/dbraw/zinc/18/98/46/533189846.db2.gz GKKTWFVOGNTXOV-MJGOQNOKSA-N 2 2 314.404 3.070 20 0 DGADLP COc1ccc([C@H]([NH2+]CCSC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423101460 533195817 /nfs/dbraw/zinc/19/58/17/533195817.db2.gz CYDAGPLFGQBHRI-SJORKVTESA-N 2 2 308.491 3.220 20 0 DGADLP CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N(C)C ZINC000120741477 195228500 /nfs/dbraw/zinc/22/85/00/195228500.db2.gz CUILTRAEFWKZFQ-QFBILLFUSA-N 2 2 314.477 3.499 20 0 DGADLP COC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000289579547 221082725 /nfs/dbraw/zinc/08/27/25/221082725.db2.gz DTLPEHXBODBXRE-KRWDZBQOSA-N 2 2 308.853 3.244 20 0 DGADLP c1cnn(-c2ccc([NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)c1 ZINC000325114121 285308407 /nfs/dbraw/zinc/30/84/07/285308407.db2.gz KCGVTQOGIFBRAY-UHFFFAOYSA-N 2 2 319.412 3.348 20 0 DGADLP Oc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000289709717 221170625 /nfs/dbraw/zinc/17/06/25/221170625.db2.gz CGPJZIMZLSCBEW-UHFFFAOYSA-N 2 2 314.351 3.127 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294912513 224306065 /nfs/dbraw/zinc/30/60/65/224306065.db2.gz FATBZOALVOSLFB-YOEHRIQHSA-N 2 2 315.486 3.247 20 0 DGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294912513 224306066 /nfs/dbraw/zinc/30/60/66/224306066.db2.gz FATBZOALVOSLFB-YOEHRIQHSA-N 2 2 315.486 3.247 20 0 DGADLP Cc1noc([C@H]2CCCC[N@@H+]2CCCc2c[nH+]ccc2C)n1 ZINC000289864657 221278320 /nfs/dbraw/zinc/27/83/20/221278320.db2.gz QVMIOSOROUUIOH-MRXNPFEDSA-N 2 2 300.406 3.241 20 0 DGADLP Cc1noc([C@H]2CCCC[N@H+]2CCCc2c[nH+]ccc2C)n1 ZINC000289864657 221278323 /nfs/dbraw/zinc/27/83/23/221278323.db2.gz QVMIOSOROUUIOH-MRXNPFEDSA-N 2 2 300.406 3.241 20 0 DGADLP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353452529 285359542 /nfs/dbraw/zinc/35/95/42/285359542.db2.gz BUOPLRNWDCBLMD-FAEJEUNOSA-N 3 2 312.461 3.396 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000121663259 195326232 /nfs/dbraw/zinc/32/62/32/195326232.db2.gz RWSMLTVKBYVRAE-UHFFFAOYSA-N 2 2 304.438 3.168 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121946127 195379485 /nfs/dbraw/zinc/37/94/85/195379485.db2.gz JCIPXERKROMPLW-LZLYRXPVSA-N 2 2 304.478 3.443 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121946127 195379486 /nfs/dbraw/zinc/37/94/86/195379486.db2.gz JCIPXERKROMPLW-LZLYRXPVSA-N 2 2 304.478 3.443 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121946299 195380157 /nfs/dbraw/zinc/38/01/57/195380157.db2.gz JCIPXERKROMPLW-XYJFISCASA-N 2 2 304.478 3.443 20 0 DGADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121946299 195380159 /nfs/dbraw/zinc/38/01/59/195380159.db2.gz JCIPXERKROMPLW-XYJFISCASA-N 2 2 304.478 3.443 20 0 DGADLP C(CC1CC[NH+](Cc2noc(C3CC3)n2)CC1)C[NH+]1CCCC1 ZINC000121917666 195374707 /nfs/dbraw/zinc/37/47/07/195374707.db2.gz FSYZJICTELTXEW-UHFFFAOYSA-N 2 2 318.465 3.035 20 0 DGADLP CC(C)c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000121613251 195317064 /nfs/dbraw/zinc/31/70/64/195317064.db2.gz RKGVGHZDFOLZKQ-UHFFFAOYSA-N 2 2 320.481 3.281 20 0 DGADLP COc1ccc(C)cc1-c1csc(C[NH+]2CCC([NH3+])CC2)n1 ZINC000434665128 533372422 /nfs/dbraw/zinc/37/24/22/533372422.db2.gz ZEGUIPRKRVLJOA-UHFFFAOYSA-N 2 2 317.458 3.050 20 0 DGADLP COc1cccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)c1 ZINC000430573994 533375172 /nfs/dbraw/zinc/37/51/72/533375172.db2.gz RRZSMIKUCXIXJG-QGZVFWFLSA-N 2 2 319.474 3.282 20 0 DGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc2ccccc21 ZINC000320410414 533465794 /nfs/dbraw/zinc/46/57/94/533465794.db2.gz BSUOJEPGXVVFGY-CQSZACIVSA-N 2 2 308.429 3.490 20 0 DGADLP C[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000415130650 533643898 /nfs/dbraw/zinc/64/38/98/533643898.db2.gz RDVUANYQGIISCQ-NWDGAFQWSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000415130650 533643905 /nfs/dbraw/zinc/64/39/05/533643905.db2.gz RDVUANYQGIISCQ-NWDGAFQWSA-N 2 2 307.488 3.288 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000294657145 533649020 /nfs/dbraw/zinc/64/90/20/533649020.db2.gz ADXMHSQNUCQIAA-OLZOCXBDSA-N 2 2 305.809 3.183 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000340203872 292077592 /nfs/dbraw/zinc/07/75/92/292077592.db2.gz GLCXUJFHLMDAKJ-HNNXBMFYSA-N 2 2 304.478 3.226 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000340203872 292077594 /nfs/dbraw/zinc/07/75/94/292077594.db2.gz GLCXUJFHLMDAKJ-HNNXBMFYSA-N 2 2 304.478 3.226 20 0 DGADLP Cc1ccc(C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000422740198 292108774 /nfs/dbraw/zinc/10/87/74/292108774.db2.gz BAAZSOZKHLOMOF-XKGZKEIXSA-N 2 2 309.457 3.404 20 0 DGADLP [NH3+][C@H](C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000584768902 400101200 /nfs/dbraw/zinc/10/12/00/400101200.db2.gz KLPSVPZSQRQWPM-CQSZACIVSA-N 2 2 307.850 3.290 20 0 DGADLP CCSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595099668 400104923 /nfs/dbraw/zinc/10/49/23/400104923.db2.gz NNKHQBMFZPTWKV-NVXWUHKLSA-N 2 2 319.518 3.167 20 0 DGADLP CCSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595099668 400104926 /nfs/dbraw/zinc/10/49/26/400104926.db2.gz NNKHQBMFZPTWKV-NVXWUHKLSA-N 2 2 319.518 3.167 20 0 DGADLP CCCc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C(C)C)cc1 ZINC000091337012 400113751 /nfs/dbraw/zinc/11/37/51/400113751.db2.gz QQMMLHQGELMTNM-VQTJNVASSA-N 2 2 317.521 3.172 20 0 DGADLP CCCc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C(C)C)cc1 ZINC000091337012 400113752 /nfs/dbraw/zinc/11/37/52/400113752.db2.gz QQMMLHQGELMTNM-VQTJNVASSA-N 2 2 317.521 3.172 20 0 DGADLP CCCc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C(C)C)cc1 ZINC000091337011 400113794 /nfs/dbraw/zinc/11/37/94/400113794.db2.gz QQMMLHQGELMTNM-UXHICEINSA-N 2 2 317.521 3.172 20 0 DGADLP CCCc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C(C)C)cc1 ZINC000091337011 400113798 /nfs/dbraw/zinc/11/37/98/400113798.db2.gz QQMMLHQGELMTNM-UXHICEINSA-N 2 2 317.521 3.172 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000090846647 400079218 /nfs/dbraw/zinc/07/92/18/400079218.db2.gz WZLPAYARFSERFO-CQSZACIVSA-N 2 2 300.402 3.301 20 0 DGADLP Cc1cnccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090846963 400079260 /nfs/dbraw/zinc/07/92/60/400079260.db2.gz XXUPQGYNWCWTSA-MRXNPFEDSA-N 2 2 306.413 3.469 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091959900 400143214 /nfs/dbraw/zinc/14/32/14/400143214.db2.gz CXDYMNAVXZXDFI-DOMZBBRYSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000091959900 400143216 /nfs/dbraw/zinc/14/32/16/400143216.db2.gz CXDYMNAVXZXDFI-DOMZBBRYSA-N 2 2 324.350 3.380 20 0 DGADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000317822627 400155587 /nfs/dbraw/zinc/15/55/87/400155587.db2.gz VEAHAGOFBSBYRB-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000317822627 400155591 /nfs/dbraw/zinc/15/55/91/400155591.db2.gz VEAHAGOFBSBYRB-GXTWGEPZSA-N 2 2 319.836 3.412 20 0 DGADLP C[N@H+](Cc1ccnc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000379760087 400257118 /nfs/dbraw/zinc/25/71/18/400257118.db2.gz AYZKAGIYXSCITN-UHFFFAOYSA-N 2 2 320.440 3.050 20 0 DGADLP C[N@@H+](Cc1ccnc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000379760087 400257126 /nfs/dbraw/zinc/25/71/26/400257126.db2.gz AYZKAGIYXSCITN-UHFFFAOYSA-N 2 2 320.440 3.050 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cn1 ZINC000092737751 400197852 /nfs/dbraw/zinc/19/78/52/400197852.db2.gz QSOJOESLGXICJM-OAHLLOKOSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(F)cn1 ZINC000092737751 400197856 /nfs/dbraw/zinc/19/78/56/400197856.db2.gz QSOJOESLGXICJM-OAHLLOKOSA-N 2 2 313.420 3.320 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000389849787 400269779 /nfs/dbraw/zinc/26/97/79/400269779.db2.gz UJSGNVXQRUHYDR-KPFFTGBYSA-N 2 2 322.452 3.273 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000389849787 400269785 /nfs/dbraw/zinc/26/97/85/400269785.db2.gz UJSGNVXQRUHYDR-KPFFTGBYSA-N 2 2 322.452 3.273 20 0 DGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000390945301 400273689 /nfs/dbraw/zinc/27/36/89/400273689.db2.gz MJGIXZCLTWKLMM-IAGOWNOFSA-N 2 2 318.461 3.119 20 0 DGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000390945301 400273692 /nfs/dbraw/zinc/27/36/92/400273692.db2.gz MJGIXZCLTWKLMM-IAGOWNOFSA-N 2 2 318.461 3.119 20 0 DGADLP CC(C)c1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865739 400259758 /nfs/dbraw/zinc/25/97/58/400259758.db2.gz BPTFVLLTXYRMJG-AWEZNQCLSA-N 2 2 303.431 3.315 20 0 DGADLP CC(C)c1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865739 400259761 /nfs/dbraw/zinc/25/97/61/400259761.db2.gz BPTFVLLTXYRMJG-AWEZNQCLSA-N 2 2 303.431 3.315 20 0 DGADLP Clc1ccc(Cl)c(SCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107573290 400336190 /nfs/dbraw/zinc/33/61/90/400336190.db2.gz APJDOLDJNIJPPZ-GHMZBOCLSA-N 2 2 317.285 3.237 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000069710745 400339557 /nfs/dbraw/zinc/33/95/57/400339557.db2.gz VYPGVIWGEQRIJN-UHFFFAOYSA-N 2 2 305.809 3.082 20 0 DGADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000597173412 400576792 /nfs/dbraw/zinc/57/67/92/400576792.db2.gz NQGPOSSUXQOHAC-CYBMUJFWSA-N 2 2 324.852 3.089 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129018191 400520443 /nfs/dbraw/zinc/52/04/43/400520443.db2.gz AARMQDCQEZKXSL-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000129018191 400520448 /nfs/dbraw/zinc/52/04/48/400520448.db2.gz AARMQDCQEZKXSL-FZMZJTMJSA-N 2 2 305.809 3.307 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]3C(C)C)c2cc1C ZINC000140610400 400620386 /nfs/dbraw/zinc/62/03/86/400620386.db2.gz VNDDZKOBXIPNTL-SJLPKXTDSA-N 2 2 315.461 3.134 20 0 DGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]3C(C)C)c2cc1C ZINC000140610400 400620389 /nfs/dbraw/zinc/62/03/89/400620389.db2.gz VNDDZKOBXIPNTL-SJLPKXTDSA-N 2 2 315.461 3.134 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000076003579 400626425 /nfs/dbraw/zinc/62/64/25/400626425.db2.gz MPTFZNHQOWYNMI-CYBMUJFWSA-N 2 2 324.852 3.232 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000076003579 400626426 /nfs/dbraw/zinc/62/64/26/400626426.db2.gz MPTFZNHQOWYNMI-CYBMUJFWSA-N 2 2 324.852 3.232 20 0 DGADLP COC(=O)[C@@H](c1ccsc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603122693 400645594 /nfs/dbraw/zinc/64/55/94/400645594.db2.gz YKFHDWIAERIORT-MRXNPFEDSA-N 2 2 324.490 3.160 20 0 DGADLP COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603122693 400645600 /nfs/dbraw/zinc/64/56/00/400645600.db2.gz YKFHDWIAERIORT-MRXNPFEDSA-N 2 2 324.490 3.160 20 0 DGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000613492384 400735485 /nfs/dbraw/zinc/73/54/85/400735485.db2.gz KSVCLAYQHWNDTO-UHFFFAOYSA-N 2 2 322.497 3.311 20 0 DGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000613492384 400735489 /nfs/dbraw/zinc/73/54/89/400735489.db2.gz KSVCLAYQHWNDTO-UHFFFAOYSA-N 2 2 322.497 3.311 20 0 DGADLP CCc1ccc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000613552599 400748531 /nfs/dbraw/zinc/74/85/31/400748531.db2.gz MUVYZKGBUYKXFW-HOTGVXAUSA-N 2 2 313.470 3.024 20 0 DGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156732636 400713905 /nfs/dbraw/zinc/71/39/05/400713905.db2.gz PLELWFHGYNRMFR-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156732636 400713908 /nfs/dbraw/zinc/71/39/08/400713908.db2.gz PLELWFHGYNRMFR-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP COC(=O)[C@H](c1ccsc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000619047591 400757411 /nfs/dbraw/zinc/75/74/11/400757411.db2.gz YOQKINHEIDGREY-INIZCTEOSA-N 2 2 324.490 3.014 20 0 DGADLP COC(=O)[C@H](c1ccsc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000619047591 400757416 /nfs/dbraw/zinc/75/74/16/400757416.db2.gz YOQKINHEIDGREY-INIZCTEOSA-N 2 2 324.490 3.014 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661765 400758025 /nfs/dbraw/zinc/75/80/25/400758025.db2.gz YJPUMFPBQNSDOF-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000168661765 400758027 /nfs/dbraw/zinc/75/80/27/400758027.db2.gz YJPUMFPBQNSDOF-AAEUAGOBSA-N 2 2 305.809 3.164 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](CCSCc3ccccc3)C2)c[nH+]1 ZINC000619158681 400785168 /nfs/dbraw/zinc/78/51/68/400785168.db2.gz RGMWGVQRMVJGQL-QGZVFWFLSA-N 2 2 301.459 3.453 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](CCSCc3ccccc3)C2)c[nH+]1 ZINC000619158681 400785175 /nfs/dbraw/zinc/78/51/75/400785175.db2.gz RGMWGVQRMVJGQL-QGZVFWFLSA-N 2 2 301.459 3.453 20 0 DGADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063362 400944384 /nfs/dbraw/zinc/94/43/84/400944384.db2.gz BOSVJWJNWVNIPC-RDJZCZTQSA-N 2 2 324.509 3.351 20 0 DGADLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599063362 400944393 /nfs/dbraw/zinc/94/43/93/400944393.db2.gz BOSVJWJNWVNIPC-RDJZCZTQSA-N 2 2 324.509 3.351 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000358157106 285985561 /nfs/dbraw/zinc/98/55/61/285985561.db2.gz QZDPMXQDUMZVSN-HNNXBMFYSA-N 2 2 303.450 3.157 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000599298883 401015057 /nfs/dbraw/zinc/01/50/57/401015057.db2.gz AIAKIXHOQQHNOE-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000599298883 401015065 /nfs/dbraw/zinc/01/50/65/401015065.db2.gz AIAKIXHOQQHNOE-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000599298883 401015071 /nfs/dbraw/zinc/01/50/71/401015071.db2.gz AIAKIXHOQQHNOE-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000599298883 401015080 /nfs/dbraw/zinc/01/50/80/401015080.db2.gz AIAKIXHOQQHNOE-HOTGVXAUSA-N 2 2 312.498 3.016 20 0 DGADLP CO[C@H](C[N@H+](CC[NH3+])CCc1ccccc1)c1ccc(F)cc1 ZINC000629530429 400961851 /nfs/dbraw/zinc/96/18/51/400961851.db2.gz GUOQESHAWJGBBX-LJQANCHMSA-N 2 2 316.420 3.017 20 0 DGADLP CO[C@H](C[N@@H+](CC[NH3+])CCc1ccccc1)c1ccc(F)cc1 ZINC000629530429 400961854 /nfs/dbraw/zinc/96/18/54/400961854.db2.gz GUOQESHAWJGBBX-LJQANCHMSA-N 2 2 316.420 3.017 20 0 DGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@H]1C(F)(F)F ZINC000629559215 400975736 /nfs/dbraw/zinc/97/57/36/400975736.db2.gz AKWQSRNITPWYPP-PSASIEDQSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@H]1C(F)(F)F ZINC000629559215 400975740 /nfs/dbraw/zinc/97/57/40/400975740.db2.gz AKWQSRNITPWYPP-PSASIEDQSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@H]1C(F)(F)F ZINC000629559235 400975884 /nfs/dbraw/zinc/97/58/84/400975884.db2.gz AKWQSRNITPWYPP-WCBMZHEXSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@H]1C(F)(F)F ZINC000629559235 400975887 /nfs/dbraw/zinc/97/58/87/400975887.db2.gz AKWQSRNITPWYPP-WCBMZHEXSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@H+](Cc2sccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566575 400979148 /nfs/dbraw/zinc/97/91/48/400979148.db2.gz ZRPWCSKZJANKDJ-DTWKUNHWSA-N 2 2 312.788 3.361 20 0 DGADLP [NH3+]C[C@H]1C[N@@H+](Cc2sccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566575 400979152 /nfs/dbraw/zinc/97/91/52/400979152.db2.gz ZRPWCSKZJANKDJ-DTWKUNHWSA-N 2 2 312.788 3.361 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCOc2ccccc2)n1-c1ccccc1 ZINC000081292670 401049792 /nfs/dbraw/zinc/04/97/92/401049792.db2.gz KKPLDUBDSZZKKI-UHFFFAOYSA-N 2 2 307.397 3.349 20 0 DGADLP c1cn(Cc2ccc(-c3ccc(N4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC000629741890 401071825 /nfs/dbraw/zinc/07/18/25/401071825.db2.gz GXWBRXUCBYTDLR-UHFFFAOYSA-N 2 2 318.424 3.008 20 0 DGADLP c1cn(Cc2ccc(-c3cccc([C@H]4C[NH2+]CCO4)c3)cc2)c[nH+]1 ZINC000629742678 401073316 /nfs/dbraw/zinc/07/33/16/401073316.db2.gz UPBSMCZLWFKTKG-HXUWFJFHSA-N 2 2 319.408 3.259 20 0 DGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656379 401022095 /nfs/dbraw/zinc/02/20/95/401022095.db2.gz NWRFAOCPDHQARG-QWHCGFSZSA-N 2 2 304.331 3.093 20 0 DGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656379 401022098 /nfs/dbraw/zinc/02/20/98/401022098.db2.gz NWRFAOCPDHQARG-QWHCGFSZSA-N 2 2 304.331 3.093 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C\C[N@@H+]1CCn2cccc2[C@H]1C ZINC000255027369 401102056 /nfs/dbraw/zinc/10/20/56/401102056.db2.gz NYPDRKMCZJZHOK-GRFNRIFCSA-N 2 2 324.472 3.299 20 0 DGADLP C[C@@H]1c2cccn2CC[NH+]1C/C=C\C[N@H+]1CCn2cccc2[C@H]1C ZINC000255027369 401102060 /nfs/dbraw/zinc/10/20/60/401102060.db2.gz NYPDRKMCZJZHOK-GRFNRIFCSA-N 2 2 324.472 3.299 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)c[nH+]c12 ZINC000594622844 401137632 /nfs/dbraw/zinc/13/76/32/401137632.db2.gz GYAGVZLZYMRYFI-INIZCTEOSA-N 2 2 317.433 3.099 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000620436274 401093509 /nfs/dbraw/zinc/09/35/09/401093509.db2.gz CNLDEFIIMYUCDN-UHFFFAOYSA-N 2 2 306.413 3.441 20 0 DGADLP Cc1nccnc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000621340831 401174105 /nfs/dbraw/zinc/17/41/05/401174105.db2.gz SKKNJORNYSVSOP-HOTGVXAUSA-N 2 2 324.472 3.031 20 0 DGADLP COc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000608057093 401177597 /nfs/dbraw/zinc/17/75/97/401177597.db2.gz HJWFDTIVAJDXNO-INIZCTEOSA-N 2 2 323.396 3.265 20 0 DGADLP Cc1cccn2c(C[NH2+]C(C)(C)C(=O)Nc3ccccc3)c[nH+]c12 ZINC000608056570 401178162 /nfs/dbraw/zinc/17/81/62/401178162.db2.gz GIDZLNIDGVPXLT-UHFFFAOYSA-N 2 2 322.412 3.150 20 0 DGADLP Cc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000608092936 401186476 /nfs/dbraw/zinc/18/64/76/401186476.db2.gz XTUZBAAJKFCQKQ-SFHVURJKSA-N 2 2 322.456 3.373 20 0 DGADLP Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000608092936 401186483 /nfs/dbraw/zinc/18/64/83/401186483.db2.gz XTUZBAAJKFCQKQ-SFHVURJKSA-N 2 2 322.456 3.373 20 0 DGADLP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000621732153 401288727 /nfs/dbraw/zinc/28/87/27/401288727.db2.gz QFQVSDSTVBBAAV-INIZCTEOSA-N 2 2 322.518 3.387 20 0 DGADLP CCCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000621732153 401288729 /nfs/dbraw/zinc/28/87/29/401288729.db2.gz QFQVSDSTVBBAAV-INIZCTEOSA-N 2 2 322.518 3.387 20 0 DGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000090718094 401272172 /nfs/dbraw/zinc/27/21/72/401272172.db2.gz VLKOEWGQOTUNBT-GOSISDBHSA-N 2 2 322.880 3.319 20 0 DGADLP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000089587499 401227303 /nfs/dbraw/zinc/22/73/03/401227303.db2.gz VFLCWGNRFTUOFC-TZIWHRDSSA-N 2 2 321.468 3.439 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000090047545 401250920 /nfs/dbraw/zinc/25/09/20/401250920.db2.gz GAAGPIZIVWDRTJ-STQMWFEESA-N 2 2 314.832 3.241 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634677973 401331237 /nfs/dbraw/zinc/33/12/37/401331237.db2.gz DOZFCYUIQPIPFY-HNNXBMFYSA-N 2 2 301.434 3.282 20 0 DGADLP Cc1ccc2[nH+]c(CN3CC[C@@H](C[NH3+])c4ccccc43)cn2c1 ZINC000634690465 401335555 /nfs/dbraw/zinc/33/55/55/401335555.db2.gz LYLGLUXASOHTBA-HNNXBMFYSA-N 2 2 306.413 3.095 20 0 DGADLP Cc1cccc(NCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000358371767 286043909 /nfs/dbraw/zinc/04/39/09/286043909.db2.gz AAUFFUIYTPAXKL-MRXNPFEDSA-N 2 2 321.428 3.338 20 0 DGADLP Cc1nocc1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000631209183 401426816 /nfs/dbraw/zinc/42/68/16/401426816.db2.gz QFSGRJZRSGVJJB-UHFFFAOYSA-N 2 2 301.434 3.231 20 0 DGADLP Cc1nocc1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000631209183 401426819 /nfs/dbraw/zinc/42/68/19/401426819.db2.gz QFSGRJZRSGVJJB-UHFFFAOYSA-N 2 2 301.434 3.231 20 0 DGADLP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000631260333 401440537 /nfs/dbraw/zinc/44/05/37/401440537.db2.gz MRIJTIKOKWXMLI-HZPDHXFCSA-N 2 2 312.379 3.234 20 0 DGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000623088744 401463179 /nfs/dbraw/zinc/46/31/79/401463179.db2.gz BREMONZJAHSSKT-UHFFFAOYSA-N 2 2 308.825 3.468 20 0 DGADLP Cc1ccc(F)cc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089638 401463751 /nfs/dbraw/zinc/46/37/51/401463751.db2.gz QDNWJMJXQFWKDY-UHFFFAOYSA-N 2 2 300.368 3.201 20 0 DGADLP Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)c2[nH+]ccn2c1 ZINC000623169152 401468480 /nfs/dbraw/zinc/46/84/80/401468480.db2.gz LKEQHWFIIOREEP-UHFFFAOYSA-N 2 2 307.397 3.142 20 0 DGADLP c1[nH]nc2cccc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)c12 ZINC000623356232 401499267 /nfs/dbraw/zinc/49/92/67/401499267.db2.gz DYLOKIDHTKQNOZ-GOSISDBHSA-N 2 2 320.440 3.317 20 0 DGADLP c1[nH]nc2cccc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c12 ZINC000623356232 401499268 /nfs/dbraw/zinc/49/92/68/401499268.db2.gz DYLOKIDHTKQNOZ-GOSISDBHSA-N 2 2 320.440 3.317 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCn2ccnc21 ZINC000631661682 401527663 /nfs/dbraw/zinc/52/76/63/401527663.db2.gz BLDWPQMJZRDWHY-QRQLOZEOSA-N 2 2 324.472 3.076 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCn2ccnc21 ZINC000631661682 401527666 /nfs/dbraw/zinc/52/76/66/401527666.db2.gz BLDWPQMJZRDWHY-QRQLOZEOSA-N 2 2 324.472 3.076 20 0 DGADLP CC[NH+](CC)CCN(Cc1cccs1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628122424 401528741 /nfs/dbraw/zinc/52/87/41/401528741.db2.gz WXRZBOFVGNAYAZ-UHFFFAOYSA-N 2 2 320.506 3.432 20 0 DGADLP FC(F)(F)c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000623497047 401532424 /nfs/dbraw/zinc/53/24/24/401532424.db2.gz VJZWJIJFZDCJMU-JTQLQIEISA-N 2 2 301.337 3.068 20 0 DGADLP Cc1cn2ccc(C(=O)Nc3cc(C)cc(C[NH+](C)C)c3)cc2[nH+]1 ZINC000635740199 401480058 /nfs/dbraw/zinc/48/00/58/401480058.db2.gz KMZVCFNEBIUVHJ-UHFFFAOYSA-N 2 2 322.412 3.265 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656179 401563264 /nfs/dbraw/zinc/56/32/64/401563264.db2.gz OQHHRDKVAQPYLS-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656179 401563265 /nfs/dbraw/zinc/56/32/65/401563265.db2.gz OQHHRDKVAQPYLS-INIZCTEOSA-N 2 2 314.477 3.268 20 0 DGADLP Cc1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000628273152 401565218 /nfs/dbraw/zinc/56/52/18/401565218.db2.gz KHEWTHZMXHYDOZ-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000628273152 401565220 /nfs/dbraw/zinc/56/52/20/401565220.db2.gz KHEWTHZMXHYDOZ-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000628273152 401565221 /nfs/dbraw/zinc/56/52/21/401565221.db2.gz KHEWTHZMXHYDOZ-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cc1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000628273152 401565223 /nfs/dbraw/zinc/56/52/23/401565223.db2.gz KHEWTHZMXHYDOZ-LJQANCHMSA-N 2 2 311.429 3.081 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000628280636 401566188 /nfs/dbraw/zinc/56/61/88/401566188.db2.gz ZARCQOUAWKTAJH-LLVKDONJSA-N 2 2 315.364 3.490 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(C(F)(F)F)c2)C1 ZINC000628280636 401566190 /nfs/dbraw/zinc/56/61/90/401566190.db2.gz ZARCQOUAWKTAJH-LLVKDONJSA-N 2 2 315.364 3.490 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@@H+]1C1CC1 ZINC000623784676 401579090 /nfs/dbraw/zinc/57/90/90/401579090.db2.gz FADDSCHEOPVMPO-QAPCUYQASA-N 2 2 307.441 3.463 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-c3ccccc3)c2)C[N@H+]1C1CC1 ZINC000623784676 401579093 /nfs/dbraw/zinc/57/90/93/401579093.db2.gz FADDSCHEOPVMPO-QAPCUYQASA-N 2 2 307.441 3.463 20 0 DGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1C(F)(F)F ZINC000623852156 401587786 /nfs/dbraw/zinc/58/77/86/401587786.db2.gz OCYRSXAACWQDMS-JTQLQIEISA-N 2 2 301.287 3.392 20 0 DGADLP Cc1c[nH]c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000628170380 401541229 /nfs/dbraw/zinc/54/12/29/401541229.db2.gz YAMOKDNRVRODPD-AEFFLSMTSA-N 2 2 312.461 3.203 20 0 DGADLP Cc1c[nH]c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000628170380 401541231 /nfs/dbraw/zinc/54/12/31/401541231.db2.gz YAMOKDNRVRODPD-AEFFLSMTSA-N 2 2 312.461 3.203 20 0 DGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575448 401549705 /nfs/dbraw/zinc/54/97/05/401549705.db2.gz AZSHFUHTQIAPNH-IAGOWNOFSA-N 2 2 324.472 3.322 20 0 DGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)CC1(C)C ZINC000623575448 401549706 /nfs/dbraw/zinc/54/97/06/401549706.db2.gz AZSHFUHTQIAPNH-IAGOWNOFSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229530 401554414 /nfs/dbraw/zinc/55/44/14/401554414.db2.gz YMAGAUHQBVCZCR-MLGOLLRUSA-N 2 2 312.379 3.320 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628229530 401554416 /nfs/dbraw/zinc/55/44/16/401554416.db2.gz YMAGAUHQBVCZCR-MLGOLLRUSA-N 2 2 312.379 3.320 20 0 DGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])co2)c1 ZINC000631826298 401559554 /nfs/dbraw/zinc/55/95/54/401559554.db2.gz KALVXRYEDIOJOK-INIZCTEOSA-N 2 2 315.417 3.054 20 0 DGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])co2)c1 ZINC000631826298 401559558 /nfs/dbraw/zinc/55/95/58/401559558.db2.gz KALVXRYEDIOJOK-INIZCTEOSA-N 2 2 315.417 3.054 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628253346 401561086 /nfs/dbraw/zinc/56/10/86/401561086.db2.gz CUAUDLKEPADVBQ-UHFFFAOYSA-N 2 2 313.401 3.299 20 0 DGADLP CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624109035 401627251 /nfs/dbraw/zinc/62/72/51/401627251.db2.gz LIRRLXHYUWGZOT-WBVHZDCISA-N 2 2 301.434 3.320 20 0 DGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000624256135 401644217 /nfs/dbraw/zinc/64/42/17/401644217.db2.gz CCCUUDIZPPFDPM-INIZCTEOSA-N 2 2 320.452 3.464 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267435 401645492 /nfs/dbraw/zinc/64/54/92/401645492.db2.gz MYOTZVYWNSGCRM-QRWLVFNGSA-N 2 2 307.441 3.321 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000624267435 401645495 /nfs/dbraw/zinc/64/54/95/401645495.db2.gz MYOTZVYWNSGCRM-QRWLVFNGSA-N 2 2 307.441 3.321 20 0 DGADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000624017413 401613759 /nfs/dbraw/zinc/61/37/59/401613759.db2.gz ZSCNMVMSZALYSF-LSDHHAIUSA-N 2 2 305.491 3.232 20 0 DGADLP c1nc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624017413 401613761 /nfs/dbraw/zinc/61/37/61/401613761.db2.gz ZSCNMVMSZALYSF-LSDHHAIUSA-N 2 2 305.491 3.232 20 0 DGADLP Cc1c[nH+]cn1CC(=O)Nc1c2ccccc2[nH+]c(C)c1C(C)C ZINC000637146934 401617021 /nfs/dbraw/zinc/61/70/21/401617021.db2.gz YGDVHORSJIHOCY-UHFFFAOYSA-N 2 2 322.412 3.232 20 0 DGADLP CCCCn1cc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c(C)n1 ZINC000358502521 286079136 /nfs/dbraw/zinc/07/91/36/286079136.db2.gz CJKADQARLUFDHE-UHFFFAOYSA-N 2 2 311.433 3.238 20 0 DGADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339073 401652975 /nfs/dbraw/zinc/65/29/75/401652975.db2.gz LHWMNKUTUGXFQI-JQHSSLGASA-N 2 2 322.880 3.022 20 0 DGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000624339073 401652976 /nfs/dbraw/zinc/65/29/76/401652976.db2.gz LHWMNKUTUGXFQI-JQHSSLGASA-N 2 2 322.880 3.022 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCN2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358828551 286163654 /nfs/dbraw/zinc/16/36/54/286163654.db2.gz OTZMPCATBZNNQH-AZUAARDMSA-N 2 2 315.505 3.115 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CCN2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000358828551 286163656 /nfs/dbraw/zinc/16/36/56/286163656.db2.gz OTZMPCATBZNNQH-AZUAARDMSA-N 2 2 315.505 3.115 20 0 DGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000358925499 286189075 /nfs/dbraw/zinc/18/90/75/286189075.db2.gz FDBTZOCGXSTPOR-UYAOXDASSA-N 2 2 324.472 3.224 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000359051250 286224680 /nfs/dbraw/zinc/22/46/80/286224680.db2.gz VHOVSWPIQWNZEE-VXIBKDFQSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000359051250 286224681 /nfs/dbraw/zinc/22/46/81/286224681.db2.gz VHOVSWPIQWNZEE-VXIBKDFQSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000359051253 286224750 /nfs/dbraw/zinc/22/47/50/286224750.db2.gz VHOVSWPIQWNZEE-VXNCWWDNSA-N 2 2 301.478 3.318 20 0 DGADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000359051253 286224751 /nfs/dbraw/zinc/22/47/51/286224751.db2.gz VHOVSWPIQWNZEE-VXNCWWDNSA-N 2 2 301.478 3.318 20 0 DGADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359272870 286273040 /nfs/dbraw/zinc/27/30/40/286273040.db2.gz MRQMERWRXYAMGH-KRWDZBQOSA-N 2 2 317.433 3.306 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325891 286284463 /nfs/dbraw/zinc/28/44/63/286284463.db2.gz UHDRIHOODYDABM-DYEKYZERSA-N 2 2 320.868 3.360 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000359325891 286284465 /nfs/dbraw/zinc/28/44/65/286284465.db2.gz UHDRIHOODYDABM-DYEKYZERSA-N 2 2 320.868 3.360 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000295153015 292255957 /nfs/dbraw/zinc/25/59/57/292255957.db2.gz JTNGPHRNAZSYRZ-MSOLQXFVSA-N 2 2 302.462 3.289 20 0 DGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000359529992 286328098 /nfs/dbraw/zinc/32/80/98/286328098.db2.gz YYALLTHAWRVLIJ-SJORKVTESA-N 2 2 320.477 3.093 20 0 DGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359529992 286328099 /nfs/dbraw/zinc/32/80/99/286328099.db2.gz YYALLTHAWRVLIJ-SJORKVTESA-N 2 2 320.477 3.093 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)C[C@@H](C)O1 ZINC000359663831 286356628 /nfs/dbraw/zinc/35/66/28/286356628.db2.gz OGCLOIQRMBXBAV-INMHGKMJSA-N 2 2 320.477 3.382 20 0 DGADLP Cc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000359695120 286362819 /nfs/dbraw/zinc/36/28/19/286362819.db2.gz NFKQUBXTHCAXRC-MJGOQNOKSA-N 2 2 309.457 3.390 20 0 DGADLP Cc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000359695120 286362821 /nfs/dbraw/zinc/36/28/21/286362821.db2.gz NFKQUBXTHCAXRC-MJGOQNOKSA-N 2 2 309.457 3.390 20 0 DGADLP CCN(C)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000359746173 286373030 /nfs/dbraw/zinc/37/30/30/286373030.db2.gz HVBIWQSQUUPYCJ-UHFFFAOYSA-N 2 2 321.428 3.013 20 0 DGADLP CC(C)(C[NH2+]Cc1cnc([C@H]2CCCO2)s1)C[NH+]1CCCC1 ZINC000360153621 286432762 /nfs/dbraw/zinc/43/27/62/286432762.db2.gz JYGWNIXGZNHEGL-OAHLLOKOSA-N 2 2 323.506 3.206 20 0 DGADLP CC(C)C[C@H](CNc1cc[nH+]c2ccsc21)[NH+]1CCOCC1 ZINC000360220477 286444958 /nfs/dbraw/zinc/44/49/58/286444958.db2.gz ZYNAFEMJPYOYIY-CQSZACIVSA-N 2 2 319.474 3.455 20 0 DGADLP COC[C@H](CC(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000360589724 286504876 /nfs/dbraw/zinc/50/48/76/286504876.db2.gz WGADFXYVVIYSIT-HNNXBMFYSA-N 2 2 305.397 3.162 20 0 DGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000360655503 286515376 /nfs/dbraw/zinc/51/53/76/286515376.db2.gz DENXITJEAJZFNH-QFBILLFUSA-N 2 2 316.489 3.500 20 0 DGADLP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000361009121 286575755 /nfs/dbraw/zinc/57/57/55/286575755.db2.gz OUNCQIIACMUGRK-CABCVRRESA-N 2 2 324.852 3.089 20 0 DGADLP CCc1noc(C)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061815 286588231 /nfs/dbraw/zinc/58/82/31/286588231.db2.gz IVVSNLRGJBOJHR-UHFFFAOYSA-N 2 2 316.449 3.434 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000361135740 286606183 /nfs/dbraw/zinc/60/61/83/286606183.db2.gz IUPJFEQGBJINQR-ULQDDVLXSA-N 2 2 324.509 3.066 20 0 DGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361249800 286634576 /nfs/dbraw/zinc/63/45/76/286634576.db2.gz GUIYMBXLVYPILK-CQSZACIVSA-N 2 2 319.355 3.039 20 0 DGADLP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361457398 286675450 /nfs/dbraw/zinc/67/54/50/286675450.db2.gz SFXSEZZLNJKUBO-VIFPVBQESA-N 2 2 306.294 3.334 20 0 DGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1c(C)[nH+]c2ccccn21 ZINC000361641203 286705241 /nfs/dbraw/zinc/70/52/41/286705241.db2.gz WHYVBXBAXZYEJO-UHFFFAOYSA-N 2 2 323.375 3.185 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000361893648 286740360 /nfs/dbraw/zinc/74/03/60/286740360.db2.gz YEMJCBOEVXMVNN-MJGOQNOKSA-N 2 2 304.478 3.332 20 0 DGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284040 287007455 /nfs/dbraw/zinc/00/74/55/287007455.db2.gz RBLLZVVUBZRUMJ-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cn2)C1 ZINC000364284040 287007456 /nfs/dbraw/zinc/00/74/56/287007456.db2.gz RBLLZVVUBZRUMJ-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000364284040 287007458 /nfs/dbraw/zinc/00/74/58/287007458.db2.gz RBLLZVVUBZRUMJ-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000364284040 287007459 /nfs/dbraw/zinc/00/74/59/287007459.db2.gz RBLLZVVUBZRUMJ-CVEARBPZSA-N 2 2 305.441 3.307 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000364736299 287056400 /nfs/dbraw/zinc/05/64/00/287056400.db2.gz GTQWKDDGFLMBLL-IEBWSBKVSA-N 2 2 324.472 3.348 20 0 DGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000364736299 287056401 /nfs/dbraw/zinc/05/64/01/287056401.db2.gz GTQWKDDGFLMBLL-IEBWSBKVSA-N 2 2 324.472 3.348 20 0 DGADLP OCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000186529808 165048498 /nfs/dbraw/zinc/04/84/98/165048498.db2.gz TZRHDOZQXDOXPF-QGZVFWFLSA-N 2 2 306.450 3.090 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000189139986 165150137 /nfs/dbraw/zinc/15/01/37/165150137.db2.gz AIWALNVSTDHFGR-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000189139986 165150144 /nfs/dbraw/zinc/15/01/44/165150144.db2.gz AIWALNVSTDHFGR-MAUKXSAKSA-N 2 2 313.420 3.363 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000189252749 165155587 /nfs/dbraw/zinc/15/55/87/165155587.db2.gz HQHLDXVAGQPNGH-GPJFCIFZSA-N 2 2 316.489 3.446 20 0 DGADLP CCOC1CC(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000189252749 165155591 /nfs/dbraw/zinc/15/55/91/165155591.db2.gz HQHLDXVAGQPNGH-GPJFCIFZSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913974 165182011 /nfs/dbraw/zinc/18/20/11/165182011.db2.gz OSVGAHAKSCUINF-WUJZJPHMSA-N 2 2 313.445 3.464 20 0 DGADLP CCN(C)c1ccc(CN(CCC[NH3+])c2cccc(F)c2)c[nH+]1 ZINC000191476196 165252655 /nfs/dbraw/zinc/25/26/55/165252655.db2.gz ZVRKKJXGHNIKBA-UHFFFAOYSA-N 2 2 316.424 3.032 20 0 DGADLP CSC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000193802760 165333579 /nfs/dbraw/zinc/33/35/79/165333579.db2.gz AZGKTMHBPFAFEW-UHFFFAOYSA-N 2 2 310.429 3.279 20 0 DGADLP C[NH+](C)[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000195479508 165372384 /nfs/dbraw/zinc/37/23/84/165372384.db2.gz SXPDPPCHGAXRKK-GOSISDBHSA-N 2 2 320.396 3.114 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1Br ZINC000230346447 165395833 /nfs/dbraw/zinc/39/58/33/165395833.db2.gz HGBOFWCILBERBP-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1Br ZINC000230346447 165395837 /nfs/dbraw/zinc/39/58/37/165395837.db2.gz HGBOFWCILBERBP-UHFFFAOYSA-N 2 2 317.246 3.408 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000365625917 287155208 /nfs/dbraw/zinc/15/52/08/287155208.db2.gz IONCZPYANQEOQQ-OAHLLOKOSA-N 2 2 313.449 3.111 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000365625917 287155210 /nfs/dbraw/zinc/15/52/10/287155210.db2.gz IONCZPYANQEOQQ-OAHLLOKOSA-N 2 2 313.449 3.111 20 0 DGADLP COc1ccccc1CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365630718 287155885 /nfs/dbraw/zinc/15/58/85/287155885.db2.gz PCQRTUSSTUFGIG-KRWDZBQOSA-N 2 2 313.445 3.241 20 0 DGADLP COc1ccccc1CCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365630718 287155889 /nfs/dbraw/zinc/15/58/89/287155889.db2.gz PCQRTUSSTUFGIG-KRWDZBQOSA-N 2 2 313.445 3.241 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000365662996 287159735 /nfs/dbraw/zinc/15/97/35/287159735.db2.gz LCRIHNFHQNSTTG-CQSZACIVSA-N 2 2 321.371 3.401 20 0 DGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000365662996 287159736 /nfs/dbraw/zinc/15/97/36/287159736.db2.gz LCRIHNFHQNSTTG-CQSZACIVSA-N 2 2 321.371 3.401 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000365665075 287160135 /nfs/dbraw/zinc/16/01/35/287160135.db2.gz OKNXXRDPEYTOPQ-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000365665075 287160137 /nfs/dbraw/zinc/16/01/37/287160137.db2.gz OKNXXRDPEYTOPQ-INIZCTEOSA-N 2 2 322.412 3.455 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000269005758 432150428 /nfs/dbraw/zinc/15/04/28/432150428.db2.gz LADAHTDPKCJKAY-MKBNYLNASA-N 2 2 301.459 3.430 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000269005758 432150431 /nfs/dbraw/zinc/15/04/31/432150431.db2.gz LADAHTDPKCJKAY-MKBNYLNASA-N 2 2 301.459 3.430 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000136671040 432159661 /nfs/dbraw/zinc/15/96/61/432159661.db2.gz DZIMNZSVFNYLPP-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000136671040 432159665 /nfs/dbraw/zinc/15/96/65/432159665.db2.gz DZIMNZSVFNYLPP-QRQLOZEOSA-N 2 2 316.489 3.444 20 0 DGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000137611115 432178296 /nfs/dbraw/zinc/17/82/96/432178296.db2.gz VCOSCCIBNXBLLV-LJQANCHMSA-N 2 2 316.489 3.007 20 0 DGADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000137611115 432178300 /nfs/dbraw/zinc/17/83/00/432178300.db2.gz VCOSCCIBNXBLLV-LJQANCHMSA-N 2 2 316.489 3.007 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246974293 432187521 /nfs/dbraw/zinc/18/75/21/432187521.db2.gz INOZJRUNSNGIBO-MTEHYEEQSA-N 2 2 314.473 3.054 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246974293 432187527 /nfs/dbraw/zinc/18/75/27/432187527.db2.gz INOZJRUNSNGIBO-MTEHYEEQSA-N 2 2 314.473 3.054 20 0 DGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000247010693 432190178 /nfs/dbraw/zinc/19/01/78/432190178.db2.gz TXONVHFRIKBBTI-BMGDILEWSA-N 2 2 313.445 3.138 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCC2CC2)c1 ZINC000247000602 432190560 /nfs/dbraw/zinc/19/05/60/432190560.db2.gz JVRZWTNHEKPCOP-YJBOKZPZSA-N 2 2 302.462 3.356 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCC2CC2)c1 ZINC000247000602 432190562 /nfs/dbraw/zinc/19/05/62/432190562.db2.gz JVRZWTNHEKPCOP-YJBOKZPZSA-N 2 2 302.462 3.356 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCC2CC2)c1 ZINC000247000570 432191029 /nfs/dbraw/zinc/19/10/29/432191029.db2.gz JVRZWTNHEKPCOP-MAUKXSAKSA-N 2 2 302.462 3.356 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCC2CC2)c1 ZINC000247000570 432191033 /nfs/dbraw/zinc/19/10/33/432191033.db2.gz JVRZWTNHEKPCOP-MAUKXSAKSA-N 2 2 302.462 3.356 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247084751 432199818 /nfs/dbraw/zinc/19/98/18/432199818.db2.gz RDIKNTFJQJIBFJ-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247084751 432199823 /nfs/dbraw/zinc/19/98/23/432199823.db2.gz RDIKNTFJQJIBFJ-WIYYLYMNSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247084731 432200134 /nfs/dbraw/zinc/20/01/34/432200134.db2.gz RDIKNTFJQJIBFJ-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247084731 432200135 /nfs/dbraw/zinc/20/01/35/432200135.db2.gz RDIKNTFJQJIBFJ-NQIIRXRSSA-N 2 2 323.484 3.433 20 0 DGADLP COc1cccc(C2([NH2+]Cc3c[nH+]c4c(C)cccn34)CC2)c1 ZINC000150906374 432201844 /nfs/dbraw/zinc/20/18/44/432201844.db2.gz SZWXVXUVQHZULF-UHFFFAOYSA-N 2 2 307.397 3.430 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715855 432200811 /nfs/dbraw/zinc/20/08/11/432200811.db2.gz VYPAQOPSVKLROQ-BZPMIXESSA-N 2 2 320.868 3.045 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000269715855 432200812 /nfs/dbraw/zinc/20/08/12/432200812.db2.gz VYPAQOPSVKLROQ-BZPMIXESSA-N 2 2 320.868 3.045 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000130587030 196093555 /nfs/dbraw/zinc/09/35/55/196093555.db2.gz MBEPJSRPHFRQPY-GOSISDBHSA-N 2 2 307.397 3.163 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000247113904 432203232 /nfs/dbraw/zinc/20/32/32/432203232.db2.gz QSZDUTSEFZJZKI-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000247113904 432203237 /nfs/dbraw/zinc/20/32/37/432203237.db2.gz QSZDUTSEFZJZKI-SJORKVTESA-N 3 2 312.461 3.255 20 0 DGADLP Brc1cccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000130709229 196103892 /nfs/dbraw/zinc/10/38/92/196103892.db2.gz VCUAYLJCSKZMOD-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1cccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000130709229 196103893 /nfs/dbraw/zinc/10/38/93/196103893.db2.gz VCUAYLJCSKZMOD-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471543 196171809 /nfs/dbraw/zinc/17/18/09/196171809.db2.gz IKUBPFKMNSJEHE-NEPJUHHUSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000131471543 196171811 /nfs/dbraw/zinc/17/18/11/196171811.db2.gz IKUBPFKMNSJEHE-NEPJUHHUSA-N 2 2 305.809 3.164 20 0 DGADLP Brc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000191070254 432217065 /nfs/dbraw/zinc/21/70/65/432217065.db2.gz RTWBGJFJAIQFNG-UHFFFAOYSA-N 2 2 310.195 3.076 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673827 196189521 /nfs/dbraw/zinc/18/95/21/196189521.db2.gz HFFIRCKRRJNWMT-RYUDHWBXSA-N 2 2 305.809 3.164 20 0 DGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000131673827 196189522 /nfs/dbraw/zinc/18/95/22/196189522.db2.gz HFFIRCKRRJNWMT-RYUDHWBXSA-N 2 2 305.809 3.164 20 0 DGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151119953 196634536 /nfs/dbraw/zinc/63/45/36/196634536.db2.gz GFKOAXUSTHWQSI-HNNXBMFYSA-N 2 2 305.809 3.430 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000154525955 227100720 /nfs/dbraw/zinc/10/07/20/227100720.db2.gz SXIZMVMNZRYGIR-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000154525955 227100725 /nfs/dbraw/zinc/10/07/25/227100725.db2.gz SXIZMVMNZRYGIR-CMPLNLGQSA-N 2 2 315.230 3.333 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000290895253 222002144 /nfs/dbraw/zinc/00/21/44/222002144.db2.gz NHUCIAMXSDREFC-UHFFFAOYSA-N 2 2 302.249 3.351 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000291164701 222186350 /nfs/dbraw/zinc/18/63/50/222186350.db2.gz MNKIDZGWWLLDNI-KBXCAEBGSA-N 2 2 322.880 3.462 20 0 DGADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165449417 228265802 /nfs/dbraw/zinc/26/58/02/228265802.db2.gz QEULBFVCOBJDDW-IAGOWNOFSA-N 2 2 312.417 3.109 20 0 DGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000236595196 263845714 /nfs/dbraw/zinc/84/57/14/263845714.db2.gz GWDJFICIPWZVJP-FQEVSTJZSA-N 2 2 306.453 3.408 20 0 DGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000236595196 263845715 /nfs/dbraw/zinc/84/57/15/263845715.db2.gz GWDJFICIPWZVJP-FQEVSTJZSA-N 2 2 306.453 3.408 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@@H+]1C ZINC000346315738 264008465 /nfs/dbraw/zinc/00/84/65/264008465.db2.gz AAOGIZFXPFRIIW-SUMWQHHRSA-N 2 2 323.431 3.006 20 0 DGADLP C[C@H]1[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCC[N@H+]1C ZINC000346315738 264008466 /nfs/dbraw/zinc/00/84/66/264008466.db2.gz AAOGIZFXPFRIIW-SUMWQHHRSA-N 2 2 323.431 3.006 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000346465832 264037026 /nfs/dbraw/zinc/03/70/26/264037026.db2.gz RQTBEGWXQWPBNI-UXPWSPDFSA-N 2 2 316.489 3.226 20 0 DGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000346465832 264037028 /nfs/dbraw/zinc/03/70/28/264037028.db2.gz RQTBEGWXQWPBNI-UXPWSPDFSA-N 2 2 316.489 3.226 20 0 DGADLP Cc1cnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000346517073 264044902 /nfs/dbraw/zinc/04/49/02/264044902.db2.gz DFZOYDYVVZJUNJ-IRXDYDNUSA-N 2 2 324.472 3.031 20 0 DGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000346568583 264055789 /nfs/dbraw/zinc/05/57/89/264055789.db2.gz UOABYDMOQFVNAN-GOSISDBHSA-N 2 2 310.376 3.105 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccco2)cc1 ZINC000346579432 264058954 /nfs/dbraw/zinc/05/89/54/264058954.db2.gz WRZSBGPCZQSZRP-ALKREAHSSA-N 2 2 314.429 3.450 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccco2)cc1 ZINC000346579432 264058955 /nfs/dbraw/zinc/05/89/55/264058955.db2.gz WRZSBGPCZQSZRP-ALKREAHSSA-N 2 2 314.429 3.450 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346643317 264071009 /nfs/dbraw/zinc/07/10/09/264071009.db2.gz COGKYFDMGPXYDA-UHFFFAOYSA-N 2 2 305.249 3.419 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346643317 264071010 /nfs/dbraw/zinc/07/10/10/264071010.db2.gz COGKYFDMGPXYDA-UHFFFAOYSA-N 2 2 305.249 3.419 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346656581 264074650 /nfs/dbraw/zinc/07/46/50/264074650.db2.gz GMBMBMDQNIWAHJ-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346656581 264074652 /nfs/dbraw/zinc/07/46/52/264074652.db2.gz GMBMBMDQNIWAHJ-VHSXEESVSA-N 2 2 303.233 3.171 20 0 DGADLP CCCn1c2ccccc2nc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346692998 264080212 /nfs/dbraw/zinc/08/02/12/264080212.db2.gz KGOUXESHBYPQPF-HNNXBMFYSA-N 2 2 302.466 3.252 20 0 DGADLP CCCn1c2ccccc2nc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346692998 264080214 /nfs/dbraw/zinc/08/02/14/264080214.db2.gz KGOUXESHBYPQPF-HNNXBMFYSA-N 2 2 302.466 3.252 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346696457 264081257 /nfs/dbraw/zinc/08/12/57/264081257.db2.gz QCGDTQDMFFSDAK-FUHIMQAGSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346696457 264081260 /nfs/dbraw/zinc/08/12/60/264081260.db2.gz QCGDTQDMFFSDAK-FUHIMQAGSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346696459 264081312 /nfs/dbraw/zinc/08/13/12/264081312.db2.gz QCGDTQDMFFSDAK-MBOZVWFJSA-N 2 2 309.457 3.265 20 0 DGADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346696459 264081314 /nfs/dbraw/zinc/08/13/14/264081314.db2.gz QCGDTQDMFFSDAK-MBOZVWFJSA-N 2 2 309.457 3.265 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802513 264100601 /nfs/dbraw/zinc/10/06/01/264100601.db2.gz TYDJFNCOBGLNAQ-CWRNSKLLSA-N 2 2 306.450 3.227 20 0 DGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000346802513 264100603 /nfs/dbraw/zinc/10/06/03/264100603.db2.gz TYDJFNCOBGLNAQ-CWRNSKLLSA-N 2 2 306.450 3.227 20 0 DGADLP COCC[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000346891227 264117498 /nfs/dbraw/zinc/11/74/98/264117498.db2.gz ZAPZLINMRSNCNV-UHFFFAOYSA-N 2 2 308.853 3.030 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000347009905 264138997 /nfs/dbraw/zinc/13/89/97/264138997.db2.gz SPYDHSRMTQFRCY-HOCLYGCPSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000347009905 264138999 /nfs/dbraw/zinc/13/89/99/264138999.db2.gz SPYDHSRMTQFRCY-HOCLYGCPSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1c(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cccc1OCC ZINC000347036939 264144485 /nfs/dbraw/zinc/14/44/85/264144485.db2.gz FAJJKUZECKASNG-INIZCTEOSA-N 2 2 320.477 3.306 20 0 DGADLP CCCOc1c(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cccc1OCC ZINC000347036939 264144486 /nfs/dbraw/zinc/14/44/86/264144486.db2.gz FAJJKUZECKASNG-INIZCTEOSA-N 2 2 320.477 3.306 20 0 DGADLP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347071493 264151883 /nfs/dbraw/zinc/15/18/83/264151883.db2.gz BVBFZSRWIBHLHK-MOPGFXCFSA-N 2 2 312.413 3.313 20 0 DGADLP COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347071493 264151886 /nfs/dbraw/zinc/15/18/86/264151886.db2.gz BVBFZSRWIBHLHK-MOPGFXCFSA-N 2 2 312.413 3.313 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347072541 264152023 /nfs/dbraw/zinc/15/20/23/264152023.db2.gz RBNXQTBJFVGTKE-UHFFFAOYSA-N 2 2 318.852 3.018 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347072541 264152025 /nfs/dbraw/zinc/15/20/25/264152025.db2.gz RBNXQTBJFVGTKE-UHFFFAOYSA-N 2 2 318.852 3.018 20 0 DGADLP COc1ccncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347085026 264154344 /nfs/dbraw/zinc/15/43/44/264154344.db2.gz WCCAVKPHDKLCNE-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000347085026 264154346 /nfs/dbraw/zinc/15/43/46/264154346.db2.gz WCCAVKPHDKLCNE-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347085026 264154347 /nfs/dbraw/zinc/15/43/47/264154347.db2.gz WCCAVKPHDKLCNE-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP COc1ccncc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000347085026 264154349 /nfs/dbraw/zinc/15/43/49/264154349.db2.gz WCCAVKPHDKLCNE-DLBZAZTESA-N 2 2 317.477 3.177 20 0 DGADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000347092143 264155162 /nfs/dbraw/zinc/15/51/62/264155162.db2.gz GVJOAJSGJUCQON-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP CCCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000347092143 264155164 /nfs/dbraw/zinc/15/51/64/264155164.db2.gz GVJOAJSGJUCQON-ZBFHGGJFSA-N 2 2 306.450 3.043 20 0 DGADLP Clc1cc2cccnc2c(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347111720 264158930 /nfs/dbraw/zinc/15/89/30/264158930.db2.gz OPCDWKHYCJXTQF-INIZCTEOSA-N 2 2 301.821 3.215 20 0 DGADLP Clc1cc2cccnc2c(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347111720 264158932 /nfs/dbraw/zinc/15/89/32/264158932.db2.gz OPCDWKHYCJXTQF-INIZCTEOSA-N 2 2 301.821 3.215 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347116554 264159766 /nfs/dbraw/zinc/15/97/66/264159766.db2.gz VRJJZOKHIBGJSN-JTQLQIEISA-N 2 2 303.233 3.173 20 0 DGADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347116554 264159768 /nfs/dbraw/zinc/15/97/68/264159768.db2.gz VRJJZOKHIBGJSN-JTQLQIEISA-N 2 2 303.233 3.173 20 0 DGADLP CCCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OC ZINC000347159925 264167010 /nfs/dbraw/zinc/16/70/10/264167010.db2.gz GLHSGNRAYQIQON-GDBMZVCRSA-N 2 2 306.450 3.186 20 0 DGADLP CCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OC ZINC000347159925 264167011 /nfs/dbraw/zinc/16/70/11/264167011.db2.gz GLHSGNRAYQIQON-GDBMZVCRSA-N 2 2 306.450 3.186 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187956 264171940 /nfs/dbraw/zinc/17/19/40/264171940.db2.gz CTNCRJNLDOOLEG-MJGOQNOKSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000347187956 264171943 /nfs/dbraw/zinc/17/19/43/264171943.db2.gz CTNCRJNLDOOLEG-MJGOQNOKSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000347187956 264171946 /nfs/dbraw/zinc/17/19/46/264171946.db2.gz CTNCRJNLDOOLEG-MJGOQNOKSA-N 3 2 317.521 3.204 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347187956 264171947 /nfs/dbraw/zinc/17/19/47/264171947.db2.gz CTNCRJNLDOOLEG-MJGOQNOKSA-N 3 2 317.521 3.204 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347187657 264172035 /nfs/dbraw/zinc/17/20/35/264172035.db2.gz PSQIXHFFQLBEFZ-INIZCTEOSA-N 2 2 313.445 3.306 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000347187657 264172037 /nfs/dbraw/zinc/17/20/37/264172037.db2.gz PSQIXHFFQLBEFZ-INIZCTEOSA-N 2 2 313.445 3.306 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195964 264174171 /nfs/dbraw/zinc/17/41/71/264174171.db2.gz HOBSBYJKSUPJEO-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000347195964 264174173 /nfs/dbraw/zinc/17/41/73/264174173.db2.gz HOBSBYJKSUPJEO-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP CCC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nnc2ccccn21 ZINC000347654350 264261149 /nfs/dbraw/zinc/26/11/49/264261149.db2.gz SABRIEWWWVGSCN-HZPDHXFCSA-N 2 2 315.465 3.035 20 0 DGADLP CCC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000347654350 264261151 /nfs/dbraw/zinc/26/11/51/264261151.db2.gz SABRIEWWWVGSCN-HZPDHXFCSA-N 2 2 315.465 3.035 20 0 DGADLP c1ccc(OC2CC2)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000347750763 264278350 /nfs/dbraw/zinc/27/83/50/264278350.db2.gz OTXFHKICJRGVDK-UHFFFAOYSA-N 2 2 300.446 3.288 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960071 264314327 /nfs/dbraw/zinc/31/43/27/264314327.db2.gz OZEXVYUTVLXIHE-UKRRQHHQSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960071 264314328 /nfs/dbraw/zinc/31/43/28/264314328.db2.gz OZEXVYUTVLXIHE-UKRRQHHQSA-N 2 2 303.450 3.295 20 0 DGADLP CCc1nc(CC[NH2+]CCCc2c[nH+]ccc2C)sc1C ZINC000347998475 264321257 /nfs/dbraw/zinc/32/12/57/264321257.db2.gz ICEOQIGQJRWLKA-UHFFFAOYSA-N 2 2 303.475 3.482 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348083054 264336709 /nfs/dbraw/zinc/33/67/09/264336709.db2.gz KCTSLWLWWNTSNE-UONOGXRCSA-N 2 2 309.429 3.144 20 0 DGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(F)cn1 ZINC000348083054 264336711 /nfs/dbraw/zinc/33/67/11/264336711.db2.gz KCTSLWLWWNTSNE-UONOGXRCSA-N 2 2 309.429 3.144 20 0 DGADLP COC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000348089507 264337665 /nfs/dbraw/zinc/33/76/65/264337665.db2.gz UZDVAHGIYAOXCN-SFHVURJKSA-N 2 2 302.393 3.439 20 0 DGADLP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(F)cn1 ZINC000348106996 264342369 /nfs/dbraw/zinc/34/23/69/264342369.db2.gz QBUBSJBSXBDTLO-KGLIPLIRSA-N 2 2 309.429 3.002 20 0 DGADLP COC(=O)c1ccc2c(c1)C[N@@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000348119496 264345564 /nfs/dbraw/zinc/34/55/64/264345564.db2.gz QDKURCKQCRHVMC-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP COC(=O)c1ccc2c(c1)C[N@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000348119496 264345567 /nfs/dbraw/zinc/34/55/67/264345567.db2.gz QDKURCKQCRHVMC-UHFFFAOYSA-N 2 2 324.424 3.168 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(F)cn1 ZINC000348121964 264346804 /nfs/dbraw/zinc/34/68/04/264346804.db2.gz KDEAWGXUHYPAAU-WFASDCNBSA-N 2 2 311.445 3.246 20 0 DGADLP CCc1ccc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cn1 ZINC000348185822 264359156 /nfs/dbraw/zinc/35/91/56/264359156.db2.gz KZIIJMNPYKPQCZ-GOSISDBHSA-N 2 2 324.472 3.475 20 0 DGADLP Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000348231933 264370273 /nfs/dbraw/zinc/37/02/73/264370273.db2.gz XZJKZRQFYDGSLC-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000348231933 264370275 /nfs/dbraw/zinc/37/02/75/264370275.db2.gz XZJKZRQFYDGSLC-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(C)C ZINC000348302088 264385412 /nfs/dbraw/zinc/38/54/12/264385412.db2.gz LTJKAAJJYWPEFJ-IRXDYDNUSA-N 2 2 306.498 3.454 20 0 DGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nnc(C)s1 ZINC000348325123 264390736 /nfs/dbraw/zinc/39/07/36/264390736.db2.gz VUFPHCKRBZLDDI-AEGPPILISA-N 2 2 310.511 3.398 20 0 DGADLP Cc1cccn2c(CN(CC[NH+](C)C)Cc3ccccc3)c[nH+]c12 ZINC000348906005 264467881 /nfs/dbraw/zinc/46/78/81/264467881.db2.gz SKAVKVAABPHEBO-UHFFFAOYSA-N 2 2 322.456 3.207 20 0 DGADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000352384301 265025997 /nfs/dbraw/zinc/02/59/97/265025997.db2.gz UVJAMCCLSFTYMG-UHFFFAOYSA-N 2 2 314.477 3.197 20 0 DGADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)CC2CC2)o1 ZINC000352459135 265056128 /nfs/dbraw/zinc/05/61/28/265056128.db2.gz UMWCYKPCEONYNA-UHFFFAOYSA-N 2 2 324.222 3.151 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Br ZINC000352505119 265073049 /nfs/dbraw/zinc/07/30/49/265073049.db2.gz XZHZEIGNIITHNG-LLVKDONJSA-N 2 2 315.230 3.292 20 0 DGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Br ZINC000352505119 265073051 /nfs/dbraw/zinc/07/30/51/265073051.db2.gz XZHZEIGNIITHNG-LLVKDONJSA-N 2 2 315.230 3.292 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534438 265082032 /nfs/dbraw/zinc/08/20/32/265082032.db2.gz GPHYOFVREZYDSV-IBGZPJMESA-N 2 2 317.452 3.001 20 0 DGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534438 265082034 /nfs/dbraw/zinc/08/20/34/265082034.db2.gz GPHYOFVREZYDSV-IBGZPJMESA-N 2 2 317.452 3.001 20 0 DGADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000352541583 265083042 /nfs/dbraw/zinc/08/30/42/265083042.db2.gz ZOACPOGCJKUJEE-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000352541583 265083044 /nfs/dbraw/zinc/08/30/44/265083044.db2.gz ZOACPOGCJKUJEE-HNNXBMFYSA-N 2 2 316.342 3.420 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@@H+]1C ZINC000352635597 265111818 /nfs/dbraw/zinc/11/18/18/265111818.db2.gz DRHNWPCZEJGNMV-UONOGXRCSA-N 2 2 317.458 3.398 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Sc3ccccn3)o2)CC[N@H+]1C ZINC000352635597 265111820 /nfs/dbraw/zinc/11/18/20/265111820.db2.gz DRHNWPCZEJGNMV-UONOGXRCSA-N 2 2 317.458 3.398 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000352706668 265135347 /nfs/dbraw/zinc/13/53/47/265135347.db2.gz PKYGJSLVPALXHN-AWEZNQCLSA-N 2 2 323.506 3.176 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720655 265139927 /nfs/dbraw/zinc/13/99/27/265139927.db2.gz MJGAIVNWSTZQPZ-YJBOKZPZSA-N 2 2 308.441 3.223 20 0 DGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1F ZINC000352720655 265139929 /nfs/dbraw/zinc/13/99/29/265139929.db2.gz MJGAIVNWSTZQPZ-YJBOKZPZSA-N 2 2 308.441 3.223 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3sccc32)s1 ZINC000352742585 265148687 /nfs/dbraw/zinc/14/86/87/265148687.db2.gz OOLSZQKDLCJEBA-CYBMUJFWSA-N 2 2 307.488 3.433 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc3cccnc32)s1 ZINC000352769523 265160144 /nfs/dbraw/zinc/16/01/44/265160144.db2.gz HTZOQQNEYDSTIS-UHFFFAOYSA-N 2 2 312.442 3.043 20 0 DGADLP Cc1cccnc1[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352777825 265162642 /nfs/dbraw/zinc/16/26/42/265162642.db2.gz UZFYOEPVJKYSOF-MRXNPFEDSA-N 2 2 318.490 3.395 20 0 DGADLP COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352780819 265164165 /nfs/dbraw/zinc/16/41/65/265164165.db2.gz QSQNVGJGFYHVBU-NSHDSACASA-N 2 2 323.437 3.203 20 0 DGADLP Cc1[nH+]ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1Cl ZINC000352848898 265196772 /nfs/dbraw/zinc/19/67/72/265196772.db2.gz MGZOFRXFGZYFIT-AWEZNQCLSA-N 2 2 316.836 3.322 20 0 DGADLP FC(F)(F)c1cscc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000352897463 265219567 /nfs/dbraw/zinc/21/95/67/265219567.db2.gz OURLVXOELZBEFW-SNVBAGLBSA-N 2 2 301.337 3.068 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007542 265263552 /nfs/dbraw/zinc/26/35/52/265263552.db2.gz VEMSXRVSNIWLLS-SWLSCSKDSA-N 2 2 319.499 3.398 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007542 265263555 /nfs/dbraw/zinc/26/35/55/265263555.db2.gz VEMSXRVSNIWLLS-SWLSCSKDSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007542 265263558 /nfs/dbraw/zinc/26/35/58/265263558.db2.gz VEMSXRVSNIWLLS-SWLSCSKDSA-N 2 2 319.499 3.398 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)[C@@H]2C1 ZINC000353007542 265263562 /nfs/dbraw/zinc/26/35/62/265263562.db2.gz VEMSXRVSNIWLLS-SWLSCSKDSA-N 2 2 319.499 3.398 20 0 DGADLP CSCc1cnc(C[N@@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000353064411 265285906 /nfs/dbraw/zinc/28/59/06/265285906.db2.gz PKWXWFFOPXELEB-UHFFFAOYSA-N 2 2 311.520 3.066 20 0 DGADLP CSCc1cnc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000353064411 265285910 /nfs/dbraw/zinc/28/59/10/265285910.db2.gz PKWXWFFOPXELEB-UHFFFAOYSA-N 2 2 311.520 3.066 20 0 DGADLP Cc1cccn2c(C[NH2+][C@@H](C)c3ccc4n[nH]cc4c3)c[nH+]c12 ZINC000353116065 265302157 /nfs/dbraw/zinc/30/21/57/265302157.db2.gz ZLNOCUHBHBVTSM-ZDUSSCGKSA-N 2 2 305.385 3.370 20 0 DGADLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc4n[nH]cc4c3)c[nH+]c12 ZINC000353116063 265302378 /nfs/dbraw/zinc/30/23/78/265302378.db2.gz ZLNOCUHBHBVTSM-CYBMUJFWSA-N 2 2 305.385 3.370 20 0 DGADLP C[N@H+](Cc1cccc(OC(C)(C)C)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353157776 265322877 /nfs/dbraw/zinc/32/28/77/265322877.db2.gz WMOCEFIPTBEALO-SJPCQFCGSA-N 2 2 317.477 3.316 20 0 DGADLP C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353157776 265322878 /nfs/dbraw/zinc/32/28/78/265322878.db2.gz WMOCEFIPTBEALO-SJPCQFCGSA-N 2 2 317.477 3.316 20 0 DGADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353157776 265322879 /nfs/dbraw/zinc/32/28/79/265322879.db2.gz WMOCEFIPTBEALO-SJPCQFCGSA-N 2 2 317.477 3.316 20 0 DGADLP C[NH+](Cc1cccc(OC(C)(C)C)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353157776 265322881 /nfs/dbraw/zinc/32/28/81/265322881.db2.gz WMOCEFIPTBEALO-SJPCQFCGSA-N 2 2 317.477 3.316 20 0 DGADLP COc1c2ccccc2oc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353202055 265341657 /nfs/dbraw/zinc/34/16/57/265341657.db2.gz ACMXJQPGHISJRU-UHFFFAOYSA-N 2 2 311.385 3.192 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000353228302 265353466 /nfs/dbraw/zinc/35/34/66/265353466.db2.gz CTQNBPJJKIKGPM-KCQAQPDRSA-N 2 2 302.418 3.260 20 0 DGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000353228302 265353470 /nfs/dbraw/zinc/35/34/70/265353470.db2.gz CTQNBPJJKIKGPM-KCQAQPDRSA-N 2 2 302.418 3.260 20 0 DGADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1Oc1cccnc1 ZINC000353677712 265508500 /nfs/dbraw/zinc/50/85/00/265508500.db2.gz ZFGVVJCLGJFVEB-PKOBYXMFSA-N 2 2 323.440 3.366 20 0 DGADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1Oc1cccnc1 ZINC000353677712 265508501 /nfs/dbraw/zinc/50/85/01/265508501.db2.gz ZFGVVJCLGJFVEB-PKOBYXMFSA-N 2 2 323.440 3.366 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453114 265778142 /nfs/dbraw/zinc/77/81/42/265778142.db2.gz UPNUEKICKMJAIG-NJAFHUGGSA-N 2 2 304.478 3.036 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000354453114 265778145 /nfs/dbraw/zinc/77/81/45/265778145.db2.gz UPNUEKICKMJAIG-NJAFHUGGSA-N 2 2 304.478 3.036 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219485 266003757 /nfs/dbraw/zinc/00/37/57/266003757.db2.gz JPZLDTLSVSMAPF-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219485 266003762 /nfs/dbraw/zinc/00/37/62/266003762.db2.gz JPZLDTLSVSMAPF-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219485 266003763 /nfs/dbraw/zinc/00/37/63/266003763.db2.gz JPZLDTLSVSMAPF-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncccc3C(F)(F)F)CC[C@H]21 ZINC000355219485 266003765 /nfs/dbraw/zinc/00/37/65/266003765.db2.gz JPZLDTLSVSMAPF-SWLSCSKDSA-N 2 2 313.367 3.017 20 0 DGADLP CCN1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000355329552 266040420 /nfs/dbraw/zinc/04/04/20/266040420.db2.gz JLVDUEYESYPPTQ-IMJJTQAJSA-N 2 2 314.433 3.005 20 0 DGADLP CCN1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000355329552 266040421 /nfs/dbraw/zinc/04/04/21/266040421.db2.gz JLVDUEYESYPPTQ-IMJJTQAJSA-N 2 2 314.433 3.005 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000355338652 266043464 /nfs/dbraw/zinc/04/34/64/266043464.db2.gz YWHNFLLKMZQZTI-BHIYHBOVSA-N 2 2 316.489 3.239 20 0 DGADLP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000355338652 266043467 /nfs/dbraw/zinc/04/34/67/266043467.db2.gz YWHNFLLKMZQZTI-BHIYHBOVSA-N 2 2 316.489 3.239 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000355359845 266050513 /nfs/dbraw/zinc/05/05/13/266050513.db2.gz CMGJYXGMVBQFAF-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000355359845 266050515 /nfs/dbraw/zinc/05/05/15/266050515.db2.gz CMGJYXGMVBQFAF-MRXNPFEDSA-N 2 2 313.445 3.192 20 0 DGADLP Cc1nc(N2CC[NH+](C[C@@H](C)CCc3ccccc3)CC2)cc[nH+]1 ZINC000355375372 266054861 /nfs/dbraw/zinc/05/48/61/266054861.db2.gz XCDMTEOKXRUTBM-KRWDZBQOSA-N 2 2 324.472 3.176 20 0 DGADLP CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355739157 266170156 /nfs/dbraw/zinc/17/01/56/266170156.db2.gz XTVWDFFDRJVJPD-INIZCTEOSA-N 2 2 301.434 3.149 20 0 DGADLP CSc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)s1 ZINC000356070359 266275433 /nfs/dbraw/zinc/27/54/33/266275433.db2.gz XPTLDYBGLURBKZ-UHFFFAOYSA-N 2 2 319.499 3.496 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000356298799 266344904 /nfs/dbraw/zinc/34/49/04/266344904.db2.gz PVDFMOHVHSPCGG-JYRVWZFOSA-N 2 2 319.355 3.404 20 0 DGADLP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000356298799 266344908 /nfs/dbraw/zinc/34/49/08/266344908.db2.gz PVDFMOHVHSPCGG-JYRVWZFOSA-N 2 2 319.355 3.404 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(CO)c1 ZINC000270420697 432244438 /nfs/dbraw/zinc/24/44/38/432244438.db2.gz FIERPPUCNJKGBA-MRXNPFEDSA-N 2 2 321.424 3.275 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191287493 432244997 /nfs/dbraw/zinc/24/49/97/432244997.db2.gz JIQLDPXDEULEFW-MNOVXSKESA-N 2 2 301.228 3.005 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247684907 432246668 /nfs/dbraw/zinc/24/66/68/432246668.db2.gz UTZWXGSDGVBBBI-IAGOWNOFSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247684907 432246672 /nfs/dbraw/zinc/24/66/72/432246672.db2.gz UTZWXGSDGVBBBI-IAGOWNOFSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247684907 432246676 /nfs/dbraw/zinc/24/66/76/432246676.db2.gz UTZWXGSDGVBBBI-IAGOWNOFSA-N 2 2 317.477 3.128 20 0 DGADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247684907 432246678 /nfs/dbraw/zinc/24/66/78/432246678.db2.gz UTZWXGSDGVBBBI-IAGOWNOFSA-N 2 2 317.477 3.128 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccoc1 ZINC000367590533 271046567 /nfs/dbraw/zinc/04/65/67/271046567.db2.gz UQAVQYGTOYYFFL-KSZLIROESA-N 2 2 306.450 3.210 20 0 DGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccoc1 ZINC000367590533 271046572 /nfs/dbraw/zinc/04/65/72/271046572.db2.gz UQAVQYGTOYYFFL-KSZLIROESA-N 2 2 306.450 3.210 20 0 DGADLP c1c[nH]c([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614038 271051277 /nfs/dbraw/zinc/05/12/77/271051277.db2.gz GZPQXYRSPNFKIF-RHSMWYFYSA-N 2 2 302.466 3.105 20 0 DGADLP c1c[nH]c([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCCCC2)n1 ZINC000367614038 271051280 /nfs/dbraw/zinc/05/12/80/271051280.db2.gz GZPQXYRSPNFKIF-RHSMWYFYSA-N 2 2 302.466 3.105 20 0 DGADLP COc1ccc2oc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000367708636 271068548 /nfs/dbraw/zinc/06/85/48/271068548.db2.gz VJDSIXWKUKNORV-CYBMUJFWSA-N 2 2 311.385 3.164 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000367780399 271075928 /nfs/dbraw/zinc/07/59/28/271075928.db2.gz QBHVKNSEDHBQEW-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000367780399 271075933 /nfs/dbraw/zinc/07/59/33/271075933.db2.gz QBHVKNSEDHBQEW-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000367780399 271075939 /nfs/dbraw/zinc/07/59/39/271075939.db2.gz QBHVKNSEDHBQEW-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000367780399 271075943 /nfs/dbraw/zinc/07/59/43/271075943.db2.gz QBHVKNSEDHBQEW-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000368008463 271112267 /nfs/dbraw/zinc/11/22/67/271112267.db2.gz JWRBTDFXDGRXHJ-LJQANCHMSA-N 2 2 312.413 3.102 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000368008463 271112269 /nfs/dbraw/zinc/11/22/69/271112269.db2.gz JWRBTDFXDGRXHJ-LJQANCHMSA-N 2 2 312.413 3.102 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000368016279 271114678 /nfs/dbraw/zinc/11/46/78/271114678.db2.gz KGIMUUATEVATNJ-KBDGPNFWSA-N 2 2 306.400 3.426 20 0 DGADLP C[C@H]1C[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C[N@H+]1C1CC1 ZINC000368016279 271114682 /nfs/dbraw/zinc/11/46/82/271114682.db2.gz KGIMUUATEVATNJ-KBDGPNFWSA-N 2 2 306.400 3.426 20 0 DGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccnc(Cl)c2Cl)CC1 ZINC000368113326 271139013 /nfs/dbraw/zinc/13/90/13/271139013.db2.gz KDPLSCCPNAXGGA-UHFFFAOYSA-N 2 2 314.260 3.449 20 0 DGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccnc(Cl)c2Cl)CC1 ZINC000368113326 271139017 /nfs/dbraw/zinc/13/90/17/271139017.db2.gz KDPLSCCPNAXGGA-UHFFFAOYSA-N 2 2 314.260 3.449 20 0 DGADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368142179 271142673 /nfs/dbraw/zinc/14/26/73/271142673.db2.gz IXSRRIKTGSSANE-YWZLYKJASA-N 2 2 323.440 3.158 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368531172 271165072 /nfs/dbraw/zinc/16/50/72/271165072.db2.gz UATHSQKTTXACGU-LJQANCHMSA-N 2 2 313.445 3.293 20 0 DGADLP Cc1noc(C)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531172 271165076 /nfs/dbraw/zinc/16/50/76/271165076.db2.gz UATHSQKTTXACGU-LJQANCHMSA-N 2 2 313.445 3.293 20 0 DGADLP C[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370711276 271385184 /nfs/dbraw/zinc/38/51/84/271385184.db2.gz PDIYENFAWOQRFX-PKOBYXMFSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370711276 271385188 /nfs/dbraw/zinc/38/51/88/271385188.db2.gz PDIYENFAWOQRFX-PKOBYXMFSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370711273 271385428 /nfs/dbraw/zinc/38/54/28/271385428.db2.gz PDIYENFAWOQRFX-HKUYNNGSSA-N 2 2 321.553 3.161 20 0 DGADLP C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370711273 271385433 /nfs/dbraw/zinc/38/54/33/271385433.db2.gz PDIYENFAWOQRFX-HKUYNNGSSA-N 2 2 321.553 3.161 20 0 DGADLP CC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062844 432255136 /nfs/dbraw/zinc/25/51/36/432255136.db2.gz AHPJPAJVHFFNFS-FUHWJXTLSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1nccn1C ZINC000183062844 432255138 /nfs/dbraw/zinc/25/51/38/432255138.db2.gz AHPJPAJVHFFNFS-FUHWJXTLSA-N 2 2 314.477 3.371 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000183078139 432256467 /nfs/dbraw/zinc/25/64/67/432256467.db2.gz BRCYDJRQXQRUDD-CPUCHLNUSA-N 2 2 312.404 3.115 20 0 DGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000430573037 273550574 /nfs/dbraw/zinc/55/05/74/273550574.db2.gz QMOLKXODKUVXPF-CQSZACIVSA-N 2 2 315.248 3.104 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423247823 273685473 /nfs/dbraw/zinc/68/54/73/273685473.db2.gz PZCCUABXUDAEJF-CQSZACIVSA-N 2 2 301.459 3.387 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423430648 274136642 /nfs/dbraw/zinc/13/66/42/274136642.db2.gz PWIKLGDBYMFNOU-UXHICEINSA-N 2 2 308.425 3.159 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000276167603 274138024 /nfs/dbraw/zinc/13/80/24/274138024.db2.gz RXUHILHDFPAMGG-ZACQAIPSSA-N 2 2 318.486 3.449 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000276167603 274138025 /nfs/dbraw/zinc/13/80/25/274138025.db2.gz RXUHILHDFPAMGG-ZACQAIPSSA-N 2 2 318.486 3.449 20 0 DGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495091459 274141901 /nfs/dbraw/zinc/14/19/01/274141901.db2.gz SKHRNPUPYNJYCC-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495091459 274141902 /nfs/dbraw/zinc/14/19/02/274141902.db2.gz SKHRNPUPYNJYCC-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000495091459 274141903 /nfs/dbraw/zinc/14/19/03/274141903.db2.gz SKHRNPUPYNJYCC-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495091459 274141904 /nfs/dbraw/zinc/14/19/04/274141904.db2.gz SKHRNPUPYNJYCC-APWZRJJASA-N 2 2 310.441 3.374 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446977292 274152470 /nfs/dbraw/zinc/15/24/70/274152470.db2.gz MSCNGMAZDQZCQW-SJLPKXTDSA-N 2 2 314.473 3.159 20 0 DGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446977292 274152472 /nfs/dbraw/zinc/15/24/72/274152472.db2.gz MSCNGMAZDQZCQW-SJLPKXTDSA-N 2 2 314.473 3.159 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000247062452 274356824 /nfs/dbraw/zinc/35/68/24/274356824.db2.gz MOGSSJWQPMZQJI-BPQIPLTHSA-N 2 2 319.518 3.167 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000247062452 274356825 /nfs/dbraw/zinc/35/68/25/274356825.db2.gz MOGSSJWQPMZQJI-BPQIPLTHSA-N 2 2 319.518 3.167 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000282482543 275070973 /nfs/dbraw/zinc/07/09/73/275070973.db2.gz WZNBNJUDRMCNBH-ZBFHGGJFSA-N 2 2 309.457 3.242 20 0 DGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000282482543 275070974 /nfs/dbraw/zinc/07/09/74/275070974.db2.gz WZNBNJUDRMCNBH-ZBFHGGJFSA-N 2 2 309.457 3.242 20 0 DGADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245178 275370494 /nfs/dbraw/zinc/37/04/94/275370494.db2.gz YGXBDNAZZALZNO-HIFRSBDPSA-N 2 2 309.251 3.168 20 0 DGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)CC2 ZINC000419685709 275750707 /nfs/dbraw/zinc/75/07/07/275750707.db2.gz NIKVKPDQNDTQFP-SFHVURJKSA-N 2 2 312.461 3.387 20 0 DGADLP CCn1c(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)nc2cc(F)ccc21 ZINC000435628575 276144355 /nfs/dbraw/zinc/14/43/55/276144355.db2.gz VEEVEZSMIGNXAN-OAHLLOKOSA-N 2 2 318.440 3.159 20 0 DGADLP CCn1c(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)nc2cc(F)ccc21 ZINC000435628575 276144357 /nfs/dbraw/zinc/14/43/57/276144357.db2.gz VEEVEZSMIGNXAN-OAHLLOKOSA-N 2 2 318.440 3.159 20 0 DGADLP CC(C)CCCNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000527111895 429724462 /nfs/dbraw/zinc/72/44/62/429724462.db2.gz UFUKYWRQCAVFOS-UHFFFAOYSA-N 2 2 304.482 3.460 20 0 DGADLP C[NH+](C)[C@@H](CNc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)cc1 ZINC000531095624 430132452 /nfs/dbraw/zinc/13/24/52/430132452.db2.gz HMAUWGJSOIUNTB-AWEZNQCLSA-N 2 2 315.808 3.326 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337501750 277237702 /nfs/dbraw/zinc/23/77/02/277237702.db2.gz BSGLGTXZWVTIJW-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337501750 277237705 /nfs/dbraw/zinc/23/77/05/277237705.db2.gz BSGLGTXZWVTIJW-SLFFLAALSA-N 2 2 316.489 3.446 20 0 DGADLP CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422701972 277303434 /nfs/dbraw/zinc/30/34/34/277303434.db2.gz JRZBRVUOEMIFTH-MOPGFXCFSA-N 2 2 315.505 3.073 20 0 DGADLP CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422701972 277303435 /nfs/dbraw/zinc/30/34/35/277303435.db2.gz JRZBRVUOEMIFTH-MOPGFXCFSA-N 2 2 315.505 3.073 20 0 DGADLP CC(C)C[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000125780577 277485825 /nfs/dbraw/zinc/48/58/25/277485825.db2.gz ZAIOHYFFPQLBFF-SJORKVTESA-N 2 2 300.450 3.065 20 0 DGADLP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423266301 277719421 /nfs/dbraw/zinc/71/94/21/277719421.db2.gz BOPMHDSTMZOCEL-CEXWTWQISA-N 3 2 307.526 3.199 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000247933205 278029766 /nfs/dbraw/zinc/02/97/66/278029766.db2.gz CFBWWXBNBSJCTC-BWPNAZKDSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000247933205 278029770 /nfs/dbraw/zinc/02/97/70/278029770.db2.gz CFBWWXBNBSJCTC-BWPNAZKDSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933205 278029772 /nfs/dbraw/zinc/02/97/72/278029772.db2.gz CFBWWXBNBSJCTC-BWPNAZKDSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000247933205 278029776 /nfs/dbraw/zinc/02/97/76/278029776.db2.gz CFBWWXBNBSJCTC-BWPNAZKDSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cnccn1 ZINC000248197975 278264844 /nfs/dbraw/zinc/26/48/44/278264844.db2.gz XRYMSIWQSRXTOA-JJRVBVJISA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cnccn1 ZINC000248197975 278264846 /nfs/dbraw/zinc/26/48/46/278264846.db2.gz XRYMSIWQSRXTOA-JJRVBVJISA-N 2 2 316.474 3.272 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571424 278305606 /nfs/dbraw/zinc/30/56/06/278305606.db2.gz LBAZGUUMSOQRIE-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571424 278305608 /nfs/dbraw/zinc/30/56/08/278305608.db2.gz LBAZGUUMSOQRIE-IUODEOHRSA-N 2 2 309.251 3.196 20 0 DGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423060615 278349286 /nfs/dbraw/zinc/34/92/86/278349286.db2.gz IPUIXOKPUKUQKO-QRWLVFNGSA-N 2 2 324.472 3.055 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)[C@@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000124993904 278844703 /nfs/dbraw/zinc/84/47/03/278844703.db2.gz OMRTUSFPZTYXRM-BHIYHBOVSA-N 2 2 302.462 3.147 20 0 DGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000151866900 279303374 /nfs/dbraw/zinc/30/33/74/279303374.db2.gz WWPFMZJUPQBFGL-QGZVFWFLSA-N 2 2 301.478 3.119 20 0 DGADLP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000134785087 279527886 /nfs/dbraw/zinc/52/78/86/279527886.db2.gz AKXPUGLUVRJGAJ-FZDIXFNVSA-N 2 2 323.440 3.481 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074512 431239028 /nfs/dbraw/zinc/23/90/28/431239028.db2.gz LGURBJQEYXJBSG-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000070074512 431239038 /nfs/dbraw/zinc/23/90/38/431239038.db2.gz LGURBJQEYXJBSG-WDEREUQCSA-N 2 2 315.230 3.147 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000113515174 431352150 /nfs/dbraw/zinc/35/21/50/431352150.db2.gz SHLUJNKTJQXQIW-ZDUSSCGKSA-N 2 2 303.837 3.272 20 0 DGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000113515174 431352158 /nfs/dbraw/zinc/35/21/58/431352158.db2.gz SHLUJNKTJQXQIW-ZDUSSCGKSA-N 2 2 303.837 3.272 20 0 DGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072971702 431359907 /nfs/dbraw/zinc/35/99/07/431359907.db2.gz GGLZMGWEOZDIJG-UHFFFAOYSA-N 2 2 323.400 3.221 20 0 DGADLP C[C@H]1CN(Cc2ccc(N3CCCC3)[nH+]c2)c2ccccc2C[NH2+]1 ZINC000415101067 279866855 /nfs/dbraw/zinc/86/68/55/279866855.db2.gz NBHNGTOPLUDWMS-INIZCTEOSA-N 2 2 322.456 3.180 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)c1ccn(C)n1 ZINC000423232357 280189968 /nfs/dbraw/zinc/18/99/68/280189968.db2.gz BZDLREZEXWFGMF-DLBZAZTESA-N 2 2 300.450 3.284 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)[C@H]1CCCC[NH2+]1 ZINC000423049244 280198084 /nfs/dbraw/zinc/19/80/84/280198084.db2.gz JSHMVTFFSCYMDZ-IXDOHACOSA-N 2 2 304.434 3.029 20 0 DGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423082169 280274504 /nfs/dbraw/zinc/27/45/04/280274504.db2.gz WGEINAACLYXERG-YUELXQCFSA-N 2 2 302.418 3.159 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136598 431651785 /nfs/dbraw/zinc/65/17/85/431651785.db2.gz QAZJZNJHFUJVOQ-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCOCC1 ZINC000119136598 431651789 /nfs/dbraw/zinc/65/17/89/431651789.db2.gz QAZJZNJHFUJVOQ-VQIMIIECSA-N 2 2 302.462 3.056 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841919 431619666 /nfs/dbraw/zinc/61/96/66/431619666.db2.gz RHKAMQVPVFIBOW-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841919 431619671 /nfs/dbraw/zinc/61/96/71/431619671.db2.gz RHKAMQVPVFIBOW-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841919 431619676 /nfs/dbraw/zinc/61/96/76/431619676.db2.gz RHKAMQVPVFIBOW-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP Cn1c2ccc(Cl)cc2nc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841919 431619683 /nfs/dbraw/zinc/61/96/83/431619683.db2.gz RHKAMQVPVFIBOW-CYBMUJFWSA-N 2 2 320.868 3.000 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842968 431620789 /nfs/dbraw/zinc/62/07/89/431620789.db2.gz GSZBLWFMDCNDLC-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842968 431620794 /nfs/dbraw/zinc/62/07/94/431620794.db2.gz GSZBLWFMDCNDLC-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842968 431620798 /nfs/dbraw/zinc/62/07/98/431620798.db2.gz GSZBLWFMDCNDLC-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842968 431620804 /nfs/dbraw/zinc/62/08/04/431620804.db2.gz GSZBLWFMDCNDLC-QWHCGFSZSA-N 2 2 320.462 3.133 20 0 DGADLP CCN(CC)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000119114676 431648571 /nfs/dbraw/zinc/64/85/71/431648571.db2.gz ZVQBESYCWNWWPB-KRWDZBQOSA-N 2 2 307.482 3.125 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)n1 ZINC000119112074 431648716 /nfs/dbraw/zinc/64/87/16/431648716.db2.gz YVPFTUHZUWCDKG-KXBFYZLASA-N 2 2 324.472 3.409 20 0 DGADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000119112074 431648722 /nfs/dbraw/zinc/64/87/22/431648722.db2.gz YVPFTUHZUWCDKG-KXBFYZLASA-N 2 2 324.472 3.409 20 0 DGADLP CCCOc1c(C[NH2+]C2CC[NH+](C)CC2)cccc1OCC ZINC000078420430 431666447 /nfs/dbraw/zinc/66/64/47/431666447.db2.gz QAKYWLCNJIFSQA-UHFFFAOYSA-N 2 2 306.450 3.058 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000121495122 431794198 /nfs/dbraw/zinc/79/41/98/431794198.db2.gz NBSVGDRLFDBZBU-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000121495122 431794203 /nfs/dbraw/zinc/79/42/03/431794203.db2.gz NBSVGDRLFDBZBU-NXHRZFHOSA-N 2 2 302.462 3.197 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[nH+]c1 ZINC000121654795 431803652 /nfs/dbraw/zinc/80/36/52/431803652.db2.gz KPCGVGUDAIJPBC-SZMVWBNQSA-N 2 2 315.461 3.211 20 0 DGADLP CCOc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121351165 431776088 /nfs/dbraw/zinc/77/60/88/431776088.db2.gz WXUDHKJXLLPGCL-UHFFFAOYSA-N 2 2 311.429 3.239 20 0 DGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000121424340 431784161 /nfs/dbraw/zinc/78/41/61/431784161.db2.gz CPXMLRVSJLDFGV-UHOSZYNNSA-N 2 2 323.440 3.310 20 0 DGADLP C[NH+]1CCC(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC1 ZINC000081024198 431784349 /nfs/dbraw/zinc/78/43/49/431784349.db2.gz NCCNBHHZFYGNII-UHFFFAOYSA-N 2 2 312.417 3.111 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000085798404 431841220 /nfs/dbraw/zinc/84/12/20/431841220.db2.gz JMZJXNKYLWEQLQ-GOSISDBHSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000085798404 431841222 /nfs/dbraw/zinc/84/12/22/431841222.db2.gz JMZJXNKYLWEQLQ-GOSISDBHSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000085798409 431842535 /nfs/dbraw/zinc/84/25/35/431842535.db2.gz JMZJXNKYLWEQLQ-SFHVURJKSA-N 2 2 317.477 3.178 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000085798409 431842536 /nfs/dbraw/zinc/84/25/36/431842536.db2.gz JMZJXNKYLWEQLQ-SFHVURJKSA-N 2 2 317.477 3.178 20 0 DGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428247 431865721 /nfs/dbraw/zinc/86/57/21/431865721.db2.gz ZTXGIJONCCQTTN-SNVBAGLBSA-N 2 2 318.305 3.287 20 0 DGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428247 431865723 /nfs/dbraw/zinc/86/57/23/431865723.db2.gz ZTXGIJONCCQTTN-SNVBAGLBSA-N 2 2 318.305 3.287 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428247 431865725 /nfs/dbraw/zinc/86/57/25/431865725.db2.gz ZTXGIJONCCQTTN-SNVBAGLBSA-N 2 2 318.305 3.287 20 0 DGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000089428247 431865726 /nfs/dbraw/zinc/86/57/26/431865726.db2.gz ZTXGIJONCCQTTN-SNVBAGLBSA-N 2 2 318.305 3.287 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000123582947 431868596 /nfs/dbraw/zinc/86/85/96/431868596.db2.gz LTCJNBCOAWQQPX-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000123582947 431868599 /nfs/dbraw/zinc/86/85/99/431868599.db2.gz LTCJNBCOAWQQPX-CYBMUJFWSA-N 2 2 305.372 3.153 20 0 DGADLP Brc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054346 431824820 /nfs/dbraw/zinc/82/48/20/431824820.db2.gz KQQWPWWCSDHKFX-UHFFFAOYSA-N 2 2 309.251 3.166 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125003684 431910567 /nfs/dbraw/zinc/91/05/67/431910567.db2.gz ACJYZDPAHZMIEH-JEDBISTDSA-N 2 2 311.429 3.481 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000124993561 431911370 /nfs/dbraw/zinc/91/13/70/431911370.db2.gz OMRTUSFPZTYXRM-QXAKKESOSA-N 2 2 302.462 3.147 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)[NH+]2CCCC2)cc1 ZINC000124993699 431911422 /nfs/dbraw/zinc/91/14/22/431911422.db2.gz OMRTUSFPZTYXRM-UHOSZYNNSA-N 2 2 302.462 3.147 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cnccn1 ZINC000125110970 431914456 /nfs/dbraw/zinc/91/44/56/431914456.db2.gz VQYVBHRMEFVDPJ-HOTGVXAUSA-N 2 2 310.445 3.353 20 0 DGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000044531191 431875673 /nfs/dbraw/zinc/87/56/73/431875673.db2.gz OPHSQGRFCHCLQH-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000044531191 431875675 /nfs/dbraw/zinc/87/56/75/431875675.db2.gz OPHSQGRFCHCLQH-GFCCVEGCSA-N 2 2 305.809 3.166 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC000124238971 431887305 /nfs/dbraw/zinc/88/73/05/431887305.db2.gz WNESXFJIJXVGNJ-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC000124238971 431887308 /nfs/dbraw/zinc/88/73/08/431887308.db2.gz WNESXFJIJXVGNJ-UHFFFAOYSA-N 2 2 308.223 3.168 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000124282599 431888670 /nfs/dbraw/zinc/88/86/70/431888670.db2.gz GOIFVEQGEXQJQU-QGZVFWFLSA-N 2 2 320.477 3.066 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000090720688 431894955 /nfs/dbraw/zinc/89/49/55/431894955.db2.gz XJKQGRLXTFULSF-VHSXEESVSA-N 2 2 303.269 3.083 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)CC[N@H+]1C ZINC000090720688 431894956 /nfs/dbraw/zinc/89/49/56/431894956.db2.gz XJKQGRLXTFULSF-VHSXEESVSA-N 2 2 303.269 3.083 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000090913978 431897711 /nfs/dbraw/zinc/89/77/11/431897711.db2.gz CPPROEPUAJHJNU-UIFIKXQLSA-N 2 2 324.468 3.281 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000090913978 431897712 /nfs/dbraw/zinc/89/77/12/431897712.db2.gz CPPROEPUAJHJNU-UIFIKXQLSA-N 2 2 324.468 3.281 20 0 DGADLP COC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936736 431897860 /nfs/dbraw/zinc/89/78/60/431897860.db2.gz JLAVALAPDWOAFH-AXAPSJFSSA-N 2 2 314.832 3.096 20 0 DGADLP COC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936736 431897862 /nfs/dbraw/zinc/89/78/62/431897862.db2.gz JLAVALAPDWOAFH-AXAPSJFSSA-N 2 2 314.832 3.096 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1Br ZINC000124669283 431901148 /nfs/dbraw/zinc/90/11/48/431901148.db2.gz NNAXSSSGNFNOID-UHFFFAOYSA-N 2 2 322.250 3.476 20 0 DGADLP COc1c(C)cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C ZINC000127719557 431979398 /nfs/dbraw/zinc/97/93/98/431979398.db2.gz HDAHRUBXROQIRN-UHFFFAOYSA-N 2 2 302.462 3.372 20 0 DGADLP CCCOc1c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cccc1OCC ZINC000125511841 431928493 /nfs/dbraw/zinc/92/84/93/431928493.db2.gz FEAPVIMPOITMGW-MRXNPFEDSA-N 2 2 320.477 3.258 20 0 DGADLP CCCOc1c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cccc1OCC ZINC000125511841 431928495 /nfs/dbraw/zinc/92/84/95/431928495.db2.gz FEAPVIMPOITMGW-MRXNPFEDSA-N 2 2 320.477 3.258 20 0 DGADLP CCc1nc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cs1 ZINC000049591191 431942330 /nfs/dbraw/zinc/94/23/30/431942330.db2.gz ATGCZEHCMZSAEZ-UHFFFAOYSA-N 2 2 303.475 3.317 20 0 DGADLP CCc1nc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cs1 ZINC000049591191 431942332 /nfs/dbraw/zinc/94/23/32/431942332.db2.gz ATGCZEHCMZSAEZ-UHFFFAOYSA-N 2 2 303.475 3.317 20 0 DGADLP Clc1ccc(C[NH2+]CCn2cc[nH+]c2)c(Br)c1 ZINC000126237323 431945353 /nfs/dbraw/zinc/94/53/53/431945353.db2.gz YHZAVOSELPNFOH-UHFFFAOYSA-N 2 2 314.614 3.089 20 0 DGADLP CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CCCC1 ZINC000051383035 431950825 /nfs/dbraw/zinc/95/08/25/431950825.db2.gz YHTVJKYFECNISB-QGZVFWFLSA-N 2 2 315.461 3.279 20 0 DGADLP CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CCCC1 ZINC000051383035 431950828 /nfs/dbraw/zinc/95/08/28/431950828.db2.gz YHTVJKYFECNISB-QGZVFWFLSA-N 2 2 315.461 3.279 20 0 DGADLP COCC[N@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101544281 431985807 /nfs/dbraw/zinc/98/58/07/431985807.db2.gz FSNDJXLRVXBISE-UHFFFAOYSA-N 2 2 311.385 3.114 20 0 DGADLP COCC[N@@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101544281 431985810 /nfs/dbraw/zinc/98/58/10/431985810.db2.gz FSNDJXLRVXBISE-UHFFFAOYSA-N 2 2 311.385 3.114 20 0 DGADLP Cc1cccc2[nH+]cc(CN3C[C@H](C)[NH2+]Cc4ccccc43)n21 ZINC000415109507 281321117 /nfs/dbraw/zinc/32/11/17/281321117.db2.gz YGEGXQDRMLOMBE-AWEZNQCLSA-N 2 2 306.413 3.141 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000248162698 432272141 /nfs/dbraw/zinc/27/21/41/432272141.db2.gz SKYOJOPSCINFHH-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000248162698 432272147 /nfs/dbraw/zinc/27/21/47/432272147.db2.gz SKYOJOPSCINFHH-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000248162698 432272150 /nfs/dbraw/zinc/27/21/50/432272150.db2.gz SKYOJOPSCINFHH-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)CC[C@H]21 ZINC000248162698 432272153 /nfs/dbraw/zinc/27/21/53/432272153.db2.gz SKYOJOPSCINFHH-DZGCQCFKSA-N 2 2 307.507 3.357 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(F)c1F ZINC000183267455 432276130 /nfs/dbraw/zinc/27/61/30/432276130.db2.gz JZEMLXLLBVNXKT-ZIAGYGMSSA-N 2 2 324.415 3.116 20 0 DGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000151808640 432278973 /nfs/dbraw/zinc/27/89/73/432278973.db2.gz YLNPSZPXTJMNFZ-LAUBAEHRSA-N 2 2 324.468 3.065 20 0 DGADLP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000173618692 432290041 /nfs/dbraw/zinc/29/00/41/432290041.db2.gz KQBLAJGQFBZBSM-MRXNPFEDSA-N 2 2 317.477 3.093 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191407777 432262329 /nfs/dbraw/zinc/26/23/29/432262329.db2.gz XSHQTXCDKBKAGR-SFHVURJKSA-N 2 2 318.509 3.090 20 0 DGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191407777 432262332 /nfs/dbraw/zinc/26/23/32/432262332.db2.gz XSHQTXCDKBKAGR-SFHVURJKSA-N 2 2 318.509 3.090 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000248035809 432262957 /nfs/dbraw/zinc/26/29/57/432262957.db2.gz RQOCAEIXXBOLFM-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000248035809 432262963 /nfs/dbraw/zinc/26/29/63/432262963.db2.gz RQOCAEIXXBOLFM-CABCVRRESA-N 2 2 306.450 3.147 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000191443109 432265159 /nfs/dbraw/zinc/26/51/59/432265159.db2.gz YUSLZNDFZSYUHZ-YPMHNXCESA-N 2 2 324.222 3.322 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000191443109 432265164 /nfs/dbraw/zinc/26/51/64/432265164.db2.gz YUSLZNDFZSYUHZ-YPMHNXCESA-N 2 2 324.222 3.322 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c[nH+]1 ZINC000183187722 432267818 /nfs/dbraw/zinc/26/78/18/432267818.db2.gz PLDACKNYGVFNSN-OAHLLOKOSA-N 2 2 310.401 3.294 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c[nH+]1 ZINC000183187722 432267819 /nfs/dbraw/zinc/26/78/19/432267819.db2.gz PLDACKNYGVFNSN-OAHLLOKOSA-N 2 2 310.401 3.294 20 0 DGADLP CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034138 432325571 /nfs/dbraw/zinc/32/55/71/432325571.db2.gz PUIJNFLCCJIZFZ-OALUTQOASA-N 2 2 313.445 3.306 20 0 DGADLP CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192034138 432325578 /nfs/dbraw/zinc/32/55/78/432325578.db2.gz PUIJNFLCCJIZFZ-OALUTQOASA-N 2 2 313.445 3.306 20 0 DGADLP C[C@H]1CC[N@H+](Cc2nccn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248911963 432328449 /nfs/dbraw/zinc/32/84/49/432328449.db2.gz YKKWTSYKIIWHEN-FUHWJXTLSA-N 2 2 321.428 3.152 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248911963 432328453 /nfs/dbraw/zinc/32/84/53/432328453.db2.gz YKKWTSYKIIWHEN-FUHWJXTLSA-N 2 2 321.428 3.152 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)on1 ZINC000249034721 432335082 /nfs/dbraw/zinc/33/50/82/432335082.db2.gz SBCBDSPPYXKUHY-BCDXTJNWSA-N 2 2 311.429 3.268 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)on1 ZINC000249034721 432335085 /nfs/dbraw/zinc/33/50/85/432335085.db2.gz SBCBDSPPYXKUHY-BCDXTJNWSA-N 2 2 311.429 3.268 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192121912 432335610 /nfs/dbraw/zinc/33/56/10/432335610.db2.gz PGMQPDDVZBDXMI-DJIMGWMZSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192121912 432335615 /nfs/dbraw/zinc/33/56/15/432335615.db2.gz PGMQPDDVZBDXMI-DJIMGWMZSA-N 2 2 322.493 3.055 20 0 DGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000192121912 432335620 /nfs/dbraw/zinc/33/56/20/432335620.db2.gz PGMQPDDVZBDXMI-DJIMGWMZSA-N 2 2 322.493 3.055 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152509359 432337890 /nfs/dbraw/zinc/33/78/90/432337890.db2.gz PSSJCJJACKSUAU-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152509359 432337893 /nfs/dbraw/zinc/33/78/93/432337893.db2.gz PSSJCJJACKSUAU-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152509359 432337896 /nfs/dbraw/zinc/33/78/96/432337896.db2.gz PSSJCJJACKSUAU-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152509359 432337898 /nfs/dbraw/zinc/33/78/98/432337898.db2.gz PSSJCJJACKSUAU-INIZCTEOSA-N 2 2 317.477 3.022 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000271188620 432347140 /nfs/dbraw/zinc/34/71/40/432347140.db2.gz OIKIKBZWBAFOHL-AWEZNQCLSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000271188620 432347145 /nfs/dbraw/zinc/34/71/45/432347145.db2.gz OIKIKBZWBAFOHL-AWEZNQCLSA-N 2 2 312.442 3.466 20 0 DGADLP c1cn(C2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c[nH+]1 ZINC000271187854 432348091 /nfs/dbraw/zinc/34/80/91/432348091.db2.gz KXASDPWEFGVJLP-OAHLLOKOSA-N 2 2 318.446 3.028 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000271188623 432348526 /nfs/dbraw/zinc/34/85/26/432348526.db2.gz OIKIKBZWBAFOHL-CQSZACIVSA-N 2 2 312.442 3.466 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000271188623 432348530 /nfs/dbraw/zinc/34/85/30/432348530.db2.gz OIKIKBZWBAFOHL-CQSZACIVSA-N 2 2 312.442 3.466 20 0 DGADLP Clc1ccc2[nH+]cc(CN3CCC[C@H]3C[NH+]3CCCC3)n2c1 ZINC000271198568 432351758 /nfs/dbraw/zinc/35/17/58/432351758.db2.gz PJPVVLFGEWJFLD-HNNXBMFYSA-N 2 2 318.852 3.048 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCc2nccs2)C[N@@H+]1Cc1ccccc1 ZINC000271202839 432352835 /nfs/dbraw/zinc/35/28/35/432352835.db2.gz JDLVWFRFQSADIG-DOTOQJQBSA-N 2 2 315.486 3.328 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]CCCc2nccs2)C[N@H+]1Cc1ccccc1 ZINC000271202839 432352838 /nfs/dbraw/zinc/35/28/38/432352838.db2.gz JDLVWFRFQSADIG-DOTOQJQBSA-N 2 2 315.486 3.328 20 0 DGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918061 432308036 /nfs/dbraw/zinc/30/80/36/432308036.db2.gz MZRGSYWOOANPAJ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918061 432308038 /nfs/dbraw/zinc/30/80/38/432308038.db2.gz MZRGSYWOOANPAJ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918061 432308042 /nfs/dbraw/zinc/30/80/42/432308042.db2.gz MZRGSYWOOANPAJ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000173918061 432308045 /nfs/dbraw/zinc/30/80/45/432308045.db2.gz MZRGSYWOOANPAJ-AWEZNQCLSA-N 2 2 317.408 3.254 20 0 DGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1csc(Br)c1 ZINC000153149755 432386833 /nfs/dbraw/zinc/38/68/33/432386833.db2.gz GLIFVOGTQVITDJ-UHFFFAOYSA-N 2 2 317.296 3.428 20 0 DGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1csc(Br)c1 ZINC000153149755 432386836 /nfs/dbraw/zinc/38/68/36/432386836.db2.gz GLIFVOGTQVITDJ-UHFFFAOYSA-N 2 2 317.296 3.428 20 0 DGADLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000253199122 432389687 /nfs/dbraw/zinc/38/96/87/432389687.db2.gz WEBFQXZOLWCQKN-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C[C@H]1C[NH3+] ZINC000253199122 432389691 /nfs/dbraw/zinc/38/96/91/432389691.db2.gz WEBFQXZOLWCQKN-CMPLNLGQSA-N 2 2 315.230 3.005 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000192687606 432400359 /nfs/dbraw/zinc/40/03/59/432400359.db2.gz MKGQISPTQZMRBT-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cn2)[C@H](C)C1 ZINC000271479805 432403340 /nfs/dbraw/zinc/40/33/40/432403340.db2.gz DERQHSHYAYIXDW-INMHGKMJSA-N 2 2 323.456 3.008 20 0 DGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cn2)[C@H](C)C1 ZINC000271479805 432403343 /nfs/dbraw/zinc/40/33/43/432403343.db2.gz DERQHSHYAYIXDW-INMHGKMJSA-N 2 2 323.456 3.008 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192356204 432362758 /nfs/dbraw/zinc/36/27/58/432362758.db2.gz YOQNEYZTYZDHMQ-NRFANRHFSA-N 2 2 324.468 3.376 20 0 DGADLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192356204 432362763 /nfs/dbraw/zinc/36/27/63/432362763.db2.gz YOQNEYZTYZDHMQ-NRFANRHFSA-N 2 2 324.468 3.376 20 0 DGADLP c1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357619 432364128 /nfs/dbraw/zinc/36/41/28/432364128.db2.gz CMRPCAKMKDDXNX-KRWDZBQOSA-N 2 2 316.470 3.129 20 0 DGADLP c1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192357619 432364132 /nfs/dbraw/zinc/36/41/32/432364132.db2.gz CMRPCAKMKDDXNX-KRWDZBQOSA-N 2 2 316.470 3.129 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000192356126 432364206 /nfs/dbraw/zinc/36/42/06/432364206.db2.gz WVSJCZFZPLXWDG-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000192356126 432364210 /nfs/dbraw/zinc/36/42/10/432364210.db2.gz WVSJCZFZPLXWDG-BHIYHBOVSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 ZINC000152893659 432364967 /nfs/dbraw/zinc/36/49/67/432364967.db2.gz JHVKNSOHGKIHIN-KDOFPFPSSA-N 2 2 322.880 3.462 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000251705495 432370372 /nfs/dbraw/zinc/37/03/72/432370372.db2.gz OYEWKAOVWSOZRC-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000251705495 432370374 /nfs/dbraw/zinc/37/03/74/432370374.db2.gz OYEWKAOVWSOZRC-OLZOCXBDSA-N 2 2 311.267 3.442 20 0 DGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000192924910 432429322 /nfs/dbraw/zinc/42/93/22/432429322.db2.gz ZBSBNFQOWSSSMW-OAHLLOKOSA-N 2 2 306.450 3.230 20 0 DGADLP C[NH+](C)[C@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc(Cl)c1 ZINC000261669040 432439704 /nfs/dbraw/zinc/43/97/04/432439704.db2.gz GAYMLNRKEXZHAF-ZDUSSCGKSA-N 2 2 320.824 3.102 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000261743427 432447227 /nfs/dbraw/zinc/44/72/27/432447227.db2.gz PLFIKJGNWIWFGW-INIZCTEOSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000261743427 432447230 /nfs/dbraw/zinc/44/72/30/432447230.db2.gz PLFIKJGNWIWFGW-INIZCTEOSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000261785603 432450686 /nfs/dbraw/zinc/45/06/86/432450686.db2.gz UIQQAYYGQNPOPJ-INIZCTEOSA-N 2 2 305.422 3.120 20 0 DGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000261785603 432450692 /nfs/dbraw/zinc/45/06/92/432450692.db2.gz UIQQAYYGQNPOPJ-INIZCTEOSA-N 2 2 305.422 3.120 20 0 DGADLP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000271528528 432414864 /nfs/dbraw/zinc/41/48/64/432414864.db2.gz ROOWWEFIMQTZIU-UHFFFAOYSA-N 2 2 318.852 3.126 20 0 DGADLP C[C@H]1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@H]1[NH3+] ZINC000262089319 432473340 /nfs/dbraw/zinc/47/33/40/432473340.db2.gz URDFTCYGAUYNOB-IFXJQAMLSA-N 2 2 314.404 3.184 20 0 DGADLP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C[C@H]1[NH3+] ZINC000262089319 432473345 /nfs/dbraw/zinc/47/33/45/432473345.db2.gz URDFTCYGAUYNOB-IFXJQAMLSA-N 2 2 314.404 3.184 20 0 DGADLP CCN(CC)c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000262117775 432475312 /nfs/dbraw/zinc/47/53/12/432475312.db2.gz KKMLXBPYSKCPKU-YESZJQIVSA-N 2 2 302.466 3.260 20 0 DGADLP CC(C)O[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1(C)C ZINC000185194222 432476809 /nfs/dbraw/zinc/47/68/09/432476809.db2.gz GEXYCXLKLLVQJF-CVEARBPZSA-N 2 2 301.434 3.059 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000272346007 432486396 /nfs/dbraw/zinc/48/63/96/432486396.db2.gz PVAIRZLYOJEFOF-XYJFISCASA-N 2 2 310.445 3.038 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccn1 ZINC000272346007 432486398 /nfs/dbraw/zinc/48/63/98/432486398.db2.gz PVAIRZLYOJEFOF-XYJFISCASA-N 2 2 310.445 3.038 20 0 DGADLP Clc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000262513342 432489474 /nfs/dbraw/zinc/48/94/74/432489474.db2.gz NCZFRBVBYUKATB-UKRRQHHQSA-N 2 2 317.820 3.179 20 0 DGADLP Clc1cccc(-c2cnc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000262513342 432489479 /nfs/dbraw/zinc/48/94/79/432489479.db2.gz NCZFRBVBYUKATB-UKRRQHHQSA-N 2 2 317.820 3.179 20 0 DGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccsc1 ZINC000272197130 432460535 /nfs/dbraw/zinc/46/05/35/432460535.db2.gz IJEDTWZBSOZVRG-BBRMVZONSA-N 2 2 316.474 3.457 20 0 DGADLP C[NH2+][C@H]1CC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261950773 432463860 /nfs/dbraw/zinc/46/38/60/432463860.db2.gz NXXGNLXIXLXWJV-SFHVURJKSA-N 2 2 316.395 3.390 20 0 DGADLP C[NH2+][C@H]1CC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261950773 432463864 /nfs/dbraw/zinc/46/38/64/432463864.db2.gz NXXGNLXIXLXWJV-SFHVURJKSA-N 2 2 316.395 3.390 20 0 DGADLP COc1ccsc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000186100627 432558855 /nfs/dbraw/zinc/55/88/55/432558855.db2.gz RHVAPPRMRPWURV-LBPRGKRZSA-N 2 2 301.415 3.298 20 0 DGADLP C=Cn1cc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000194274167 432536852 /nfs/dbraw/zinc/53/68/52/432536852.db2.gz YLNCWDYEYYLUPM-IBGZPJMESA-N 2 2 310.445 3.219 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186573553 432608780 /nfs/dbraw/zinc/60/87/80/432608780.db2.gz KHEUYPWTERRJMO-RLLQIKCJSA-N 2 2 317.521 3.215 20 0 DGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186573553 432608783 /nfs/dbraw/zinc/60/87/83/432608783.db2.gz KHEUYPWTERRJMO-RLLQIKCJSA-N 2 2 317.521 3.215 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000177351855 432615644 /nfs/dbraw/zinc/61/56/44/432615644.db2.gz CEULWYPFDXWOKZ-LSDHHAIUSA-N 2 2 322.880 3.492 20 0 DGADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(O)cc(F)c3)C2)[nH+]1 ZINC000186207327 432567522 /nfs/dbraw/zinc/56/75/22/432567522.db2.gz XFBPSKTYRIQTAH-CQSZACIVSA-N 2 2 315.392 3.169 20 0 DGADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(O)cc(F)c3)C2)[nH+]1 ZINC000186207327 432567531 /nfs/dbraw/zinc/56/75/31/432567531.db2.gz XFBPSKTYRIQTAH-CQSZACIVSA-N 2 2 315.392 3.169 20 0 DGADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCOC1 ZINC000155896083 432579769 /nfs/dbraw/zinc/57/97/69/432579769.db2.gz ZOPQDUXAKQGLEK-HZPDHXFCSA-N 2 2 301.434 3.140 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)C1CCOCC1 ZINC000155917314 432580591 /nfs/dbraw/zinc/58/05/91/432580591.db2.gz QJEARRYAYFEYED-CQSZACIVSA-N 2 2 301.434 3.140 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000177374809 432617368 /nfs/dbraw/zinc/61/73/68/432617368.db2.gz VVBUKPGVXUGUDG-INIZCTEOSA-N 2 2 300.446 3.459 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000177374809 432617373 /nfs/dbraw/zinc/61/73/73/432617373.db2.gz VVBUKPGVXUGUDG-INIZCTEOSA-N 2 2 300.446 3.459 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCCc4ccccc4C3)cn2)c[nH+]1 ZINC000177150614 432590466 /nfs/dbraw/zinc/59/04/66/432590466.db2.gz UOJFUVFXWVDIJI-UHFFFAOYSA-N 2 2 304.397 3.216 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177196555 432595034 /nfs/dbraw/zinc/59/50/34/432595034.db2.gz IJXCSXKIMRBGOH-JKSUJKDBSA-N 2 2 314.458 3.127 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177196555 432595038 /nfs/dbraw/zinc/59/50/38/432595038.db2.gz IJXCSXKIMRBGOH-JKSUJKDBSA-N 2 2 314.458 3.127 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156573650 432600878 /nfs/dbraw/zinc/60/08/78/432600878.db2.gz LACWOOFIXPWBBF-KXBFYZLASA-N 3 2 312.461 3.316 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156573650 432600881 /nfs/dbraw/zinc/60/08/81/432600881.db2.gz LACWOOFIXPWBBF-KXBFYZLASA-N 3 2 312.461 3.316 20 0 DGADLP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156573650 432600886 /nfs/dbraw/zinc/60/08/86/432600886.db2.gz LACWOOFIXPWBBF-KXBFYZLASA-N 2 2 312.461 3.316 20 0 DGADLP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000186502528 432602381 /nfs/dbraw/zinc/60/23/81/432602381.db2.gz ZSSAVZXMQFDSIW-YATRRXNKSA-N 2 2 322.880 3.221 20 0 DGADLP Cc1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000302050062 282010129 /nfs/dbraw/zinc/01/01/29/282010129.db2.gz NIWKEPIHADMFGD-INIZCTEOSA-N 2 2 314.477 3.119 20 0 DGADLP Clc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000274297014 432649043 /nfs/dbraw/zinc/64/90/43/432649043.db2.gz IQXBXOOMSPPGKO-SNVBAGLBSA-N 2 2 311.216 3.491 20 0 DGADLP Clc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000274297014 432649045 /nfs/dbraw/zinc/64/90/45/432649045.db2.gz IQXBXOOMSPPGKO-SNVBAGLBSA-N 2 2 311.216 3.491 20 0 DGADLP CCn1nc(C[NH2+]CCC[NH+]2CCCCC2)c2ccccc21 ZINC000274410713 432664045 /nfs/dbraw/zinc/66/40/45/432664045.db2.gz IDENOVHXPNPWOP-UHFFFAOYSA-N 2 2 300.450 3.022 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)cc1Cl ZINC000158975289 432665315 /nfs/dbraw/zinc/66/53/15/432665315.db2.gz GDYWHJSJMNXSSF-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Br)cc1Cl ZINC000158975289 432665319 /nfs/dbraw/zinc/66/53/19/432665319.db2.gz GDYWHJSJMNXSSF-VHSXEESVSA-N 2 2 317.658 3.272 20 0 DGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000226709299 432707824 /nfs/dbraw/zinc/70/78/24/432707824.db2.gz AJBRPPVQPZBSQF-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000226709299 432707826 /nfs/dbraw/zinc/70/78/26/432707826.db2.gz AJBRPPVQPZBSQF-WCQYABFASA-N 2 2 302.340 3.330 20 0 DGADLP COC(=O)c1ccc([C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000265623216 432715531 /nfs/dbraw/zinc/71/55/31/432715531.db2.gz BYLQEIUJMFUWIJ-LSDHHAIUSA-N 2 2 320.433 3.078 20 0 DGADLP COC(=O)c1ccc([C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000265623216 432715535 /nfs/dbraw/zinc/71/55/35/432715535.db2.gz BYLQEIUJMFUWIJ-LSDHHAIUSA-N 2 2 320.433 3.078 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@@H+]1C ZINC000178298130 432717109 /nfs/dbraw/zinc/71/71/09/432717109.db2.gz ATXFOVLUTGGONV-RDJZCZTQSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC[N@H+]1C ZINC000178298130 432717113 /nfs/dbraw/zinc/71/71/13/432717113.db2.gz ATXFOVLUTGGONV-RDJZCZTQSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@@H]1CCN(c2cc[nH+]cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000274948966 432723457 /nfs/dbraw/zinc/72/34/57/432723457.db2.gz UXHHEWNRQXLMAB-BXUZGUMPSA-N 2 2 321.222 3.128 20 0 DGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000177939535 432676179 /nfs/dbraw/zinc/67/61/79/432676179.db2.gz SXLSHGROYYCKRT-GOSISDBHSA-N 2 2 311.429 3.306 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000159289581 432678447 /nfs/dbraw/zinc/67/84/47/432678447.db2.gz LVGSMZVBNMBKLN-HUUCEWRRSA-N 2 2 323.278 3.474 20 0 DGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000159289581 432678449 /nfs/dbraw/zinc/67/84/49/432678449.db2.gz LVGSMZVBNMBKLN-HUUCEWRRSA-N 2 2 323.278 3.474 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979403 432681622 /nfs/dbraw/zinc/68/16/22/432681622.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[NH+](C3CC3)C2)c1 ZINC000177979403 432681626 /nfs/dbraw/zinc/68/16/26/432681626.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000177979403 432681629 /nfs/dbraw/zinc/68/16/29/432681629.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000177979403 432681633 /nfs/dbraw/zinc/68/16/33/432681633.db2.gz OZOPEHFUFADQPR-LPHOPBHVSA-N 3 2 315.505 3.242 20 0 DGADLP CC(C)[NH+]1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000236604689 432751801 /nfs/dbraw/zinc/75/18/01/432751801.db2.gz GQBKNBOHDAWJJW-UHFFFAOYSA-N 2 2 316.474 3.168 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000266156135 432751873 /nfs/dbraw/zinc/75/18/73/432751873.db2.gz LVYMWWGYLJAOBB-YJBOKZPZSA-N 2 2 319.468 3.246 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H](C)C1 ZINC000266156135 432751875 /nfs/dbraw/zinc/75/18/75/432751875.db2.gz LVYMWWGYLJAOBB-YJBOKZPZSA-N 2 2 319.468 3.246 20 0 DGADLP c1cc2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2[nH]1 ZINC000236747683 432762830 /nfs/dbraw/zinc/76/28/30/432762830.db2.gz HGOXJXIKZKQNFA-UHFFFAOYSA-N 2 2 306.413 3.322 20 0 DGADLP COCCC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000178682472 432765909 /nfs/dbraw/zinc/76/59/09/432765909.db2.gz UWSRGCZMOZSWDT-INIZCTEOSA-N 2 2 304.478 3.228 20 0 DGADLP COCCC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178682472 432765911 /nfs/dbraw/zinc/76/59/11/432765911.db2.gz UWSRGCZMOZSWDT-INIZCTEOSA-N 2 2 304.478 3.228 20 0 DGADLP CCOC(CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OCC ZINC000276071501 432771110 /nfs/dbraw/zinc/77/11/10/432771110.db2.gz DPRFDRIORVJCRZ-UHFFFAOYSA-N 2 2 317.433 3.060 20 0 DGADLP Cc1noc(C)c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266610616 432771097 /nfs/dbraw/zinc/77/10/97/432771097.db2.gz ZTMHGFHDBJEXQI-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1noc(C)c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266610616 432771100 /nfs/dbraw/zinc/77/11/00/432771100.db2.gz ZTMHGFHDBJEXQI-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1noc(C)c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266610616 432771102 /nfs/dbraw/zinc/77/11/02/432771102.db2.gz ZTMHGFHDBJEXQI-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP Cc1noc(C)c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266610616 432771106 /nfs/dbraw/zinc/77/11/06/432771106.db2.gz ZTMHGFHDBJEXQI-GOSISDBHSA-N 2 2 313.445 3.245 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741589 432772367 /nfs/dbraw/zinc/77/23/67/432772367.db2.gz RSPWDGXFZIDNTH-DGCLKSJQSA-N 2 2 314.351 3.473 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000178741589 432772373 /nfs/dbraw/zinc/77/23/73/432772373.db2.gz RSPWDGXFZIDNTH-DGCLKSJQSA-N 2 2 314.351 3.473 20 0 DGADLP CSc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266689570 432778459 /nfs/dbraw/zinc/77/84/59/432778459.db2.gz AIJXLALSLKYSPV-UHFFFAOYSA-N 2 2 317.458 3.390 20 0 DGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000188470832 432727033 /nfs/dbraw/zinc/72/70/33/432727033.db2.gz PKXJPJZELGZAJX-UHFFFAOYSA-N 2 2 309.348 3.455 20 0 DGADLP Cc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000178439230 432736814 /nfs/dbraw/zinc/73/68/14/432736814.db2.gz JICKRTSGILICGU-GJZGRUSLSA-N 2 2 313.445 3.229 20 0 DGADLP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)onc1-c1ccccc1 ZINC000265851953 432738720 /nfs/dbraw/zinc/73/87/20/432738720.db2.gz YUCAVAOMOXNAPM-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)onc1-c1ccccc1 ZINC000265851953 432738724 /nfs/dbraw/zinc/73/87/24/432738724.db2.gz YUCAVAOMOXNAPM-INIZCTEOSA-N 2 2 311.429 3.259 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235384444 432742618 /nfs/dbraw/zinc/74/26/18/432742618.db2.gz QJYZPLGGWMNSCT-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000235384444 432742622 /nfs/dbraw/zinc/74/26/22/432742622.db2.gz QJYZPLGGWMNSCT-KOLCDFICSA-N 2 2 317.658 3.272 20 0 DGADLP CC(C)N(C)c1ccc(CNc2ccc3c(c2)[nH+]cn3C)c[nH+]1 ZINC000276586279 432820798 /nfs/dbraw/zinc/82/07/98/432820798.db2.gz CQYYTIAEIYANNN-UHFFFAOYSA-N 2 2 309.417 3.425 20 0 DGADLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000162937783 432839256 /nfs/dbraw/zinc/83/92/56/432839256.db2.gz ZUBGABNYGNFLBZ-CYBMUJFWSA-N 2 2 316.368 3.384 20 0 DGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000276840983 432827006 /nfs/dbraw/zinc/82/70/06/432827006.db2.gz GXBMCIURKPLDRG-WMLDXEAASA-N 2 2 312.417 3.203 20 0 DGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)CS1 ZINC000277283697 432834414 /nfs/dbraw/zinc/83/44/14/432834414.db2.gz QTJAPYGQSZGWGI-HUUCEWRRSA-N 2 2 303.475 3.387 20 0 DGADLP CC[N@H+](CC[C@H]1CCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482196 432788945 /nfs/dbraw/zinc/78/89/45/432788945.db2.gz QNKABNQPXXGCMS-GOSISDBHSA-N 2 2 317.477 3.189 20 0 DGADLP CC[N@@H+](CC[C@H]1CCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189482196 432788949 /nfs/dbraw/zinc/78/89/49/432788949.db2.gz QNKABNQPXXGCMS-GOSISDBHSA-N 2 2 317.477 3.189 20 0 DGADLP CCOc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266803715 432789101 /nfs/dbraw/zinc/78/91/01/432789101.db2.gz ZJKKOCAHSYFQFT-UHFFFAOYSA-N 2 2 315.417 3.067 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000276254758 432790327 /nfs/dbraw/zinc/79/03/27/432790327.db2.gz QBSXZTCZWYHODH-SJORKVTESA-N 2 2 313.445 3.378 20 0 DGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000276254758 432790332 /nfs/dbraw/zinc/79/03/32/432790332.db2.gz QBSXZTCZWYHODH-SJORKVTESA-N 2 2 313.445 3.378 20 0 DGADLP [NH3+]CC1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCCC1 ZINC000237765811 432798807 /nfs/dbraw/zinc/79/88/07/432798807.db2.gz OZLOKQMBTCQEEF-UHFFFAOYSA-N 2 2 311.385 3.332 20 0 DGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161863043 432801441 /nfs/dbraw/zinc/80/14/41/432801441.db2.gz SIDKYKITGPGWGP-LJQANCHMSA-N 3 2 315.505 3.067 20 0 DGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161863043 432801450 /nfs/dbraw/zinc/80/14/50/432801450.db2.gz SIDKYKITGPGWGP-LJQANCHMSA-N 3 2 315.505 3.067 20 0 DGADLP Cn1c2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000237846430 432802234 /nfs/dbraw/zinc/80/22/34/432802234.db2.gz ZWDHTXHHUPHXIU-KRWDZBQOSA-N 2 2 320.396 3.089 20 0 DGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245738771 432860334 /nfs/dbraw/zinc/86/03/34/432860334.db2.gz FYTMBWBNOHMKQR-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245738771 432860337 /nfs/dbraw/zinc/86/03/37/432860337.db2.gz FYTMBWBNOHMKQR-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000245738771 432860339 /nfs/dbraw/zinc/86/03/39/432860339.db2.gz FYTMBWBNOHMKQR-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP Fc1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000245738771 432860341 /nfs/dbraw/zinc/86/03/41/432860341.db2.gz FYTMBWBNOHMKQR-KSSFIOAISA-N 2 2 306.400 3.414 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000245747129 432860472 /nfs/dbraw/zinc/86/04/72/432860472.db2.gz NBSVGDRLFDBZBU-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000245747129 432860474 /nfs/dbraw/zinc/86/04/74/432860474.db2.gz NBSVGDRLFDBZBU-NJAFHUGGSA-N 2 2 302.462 3.197 20 0 DGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755107 432860774 /nfs/dbraw/zinc/86/07/74/432860774.db2.gz ZKFGATZQFQHDSG-LSDHHAIUSA-N 2 2 308.853 3.277 20 0 DGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755107 432860777 /nfs/dbraw/zinc/86/07/77/432860777.db2.gz ZKFGATZQFQHDSG-LSDHHAIUSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755107 432860779 /nfs/dbraw/zinc/86/07/79/432860779.db2.gz ZKFGATZQFQHDSG-LSDHHAIUSA-N 2 2 308.853 3.277 20 0 DGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000245755107 432860781 /nfs/dbraw/zinc/86/07/81/432860781.db2.gz ZKFGATZQFQHDSG-LSDHHAIUSA-N 2 2 308.853 3.277 20 0 DGADLP Cc1cccn2c(CN3CC[N@@H+](C)C[C@H]3c3ccccc3)c[nH+]c12 ZINC000245938204 432871849 /nfs/dbraw/zinc/87/18/49/432871849.db2.gz AJVUBXRXFBJTSM-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP Cc1cccn2c(CN3CC[N@H+](C)C[C@H]3c3ccccc3)c[nH+]c12 ZINC000245938204 432871851 /nfs/dbraw/zinc/87/18/51/432871851.db2.gz AJVUBXRXFBJTSM-IBGZPJMESA-N 2 2 320.440 3.131 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1nccs1 ZINC000268044491 432841129 /nfs/dbraw/zinc/84/11/29/432841129.db2.gz PQVSZRDIDVGEBH-NVXWUHKLSA-N 2 2 315.486 3.186 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1nccs1 ZINC000268044491 432841132 /nfs/dbraw/zinc/84/11/32/432841132.db2.gz PQVSZRDIDVGEBH-NVXWUHKLSA-N 2 2 315.486 3.186 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245553182 432842964 /nfs/dbraw/zinc/84/29/64/432842964.db2.gz FBPCJKVLCJLNJJ-AEFFLSMTSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245553182 432842966 /nfs/dbraw/zinc/84/29/66/432842966.db2.gz FBPCJKVLCJLNJJ-AEFFLSMTSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245553182 432842967 /nfs/dbraw/zinc/84/29/67/432842967.db2.gz FBPCJKVLCJLNJJ-AEFFLSMTSA-N 2 2 301.478 3.476 20 0 DGADLP Cc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245553182 432842969 /nfs/dbraw/zinc/84/29/69/432842969.db2.gz FBPCJKVLCJLNJJ-AEFFLSMTSA-N 2 2 301.478 3.476 20 0 DGADLP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000245550870 432843033 /nfs/dbraw/zinc/84/30/33/432843033.db2.gz IHHQLAZKWAEBQG-IPMKNSEASA-N 2 2 314.473 3.056 20 0 DGADLP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000245550870 432843035 /nfs/dbraw/zinc/84/30/35/432843035.db2.gz IHHQLAZKWAEBQG-IPMKNSEASA-N 2 2 314.473 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163149509 432845086 /nfs/dbraw/zinc/84/50/86/432845086.db2.gz BAMOOWZEABNJEK-KXBFYZLASA-N 2 2 313.445 3.464 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCC ZINC000277406051 432846509 /nfs/dbraw/zinc/84/65/09/432846509.db2.gz ZRVFHVQIAJVIRN-KRWDZBQOSA-N 2 2 320.477 3.400 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCC ZINC000277406051 432846511 /nfs/dbraw/zinc/84/65/11/432846511.db2.gz ZRVFHVQIAJVIRN-KRWDZBQOSA-N 2 2 320.477 3.400 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000163266200 432847906 /nfs/dbraw/zinc/84/79/06/432847906.db2.gz GZYVFWJTQKGGMV-RDJZCZTQSA-N 3 2 312.461 3.173 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000163266200 432847909 /nfs/dbraw/zinc/84/79/09/432847909.db2.gz GZYVFWJTQKGGMV-RDJZCZTQSA-N 3 2 312.461 3.173 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277533413 432859195 /nfs/dbraw/zinc/85/91/95/432859195.db2.gz PYUQIMBSYGWVEH-GOSISDBHSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277533413 432859198 /nfs/dbraw/zinc/85/91/98/432859198.db2.gz PYUQIMBSYGWVEH-GOSISDBHSA-N 2 2 312.461 3.097 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000289172060 432929445 /nfs/dbraw/zinc/92/94/45/432929445.db2.gz FHZDKAUJGKHLGS-UHFFFAOYSA-N 2 2 312.413 3.274 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000289240249 432937177 /nfs/dbraw/zinc/93/71/77/432937177.db2.gz LBCWEAMJIAWMJC-LJQANCHMSA-N 2 2 315.436 3.354 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C)ccc1Oc1cc[nH+]cc1 ZINC000279123977 432937860 /nfs/dbraw/zinc/93/78/60/432937860.db2.gz XPCLJHXBSPDCGU-MRXNPFEDSA-N 2 2 311.385 3.215 20 0 DGADLP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)ccc1Oc1cc[nH+]cc1 ZINC000279123977 432937864 /nfs/dbraw/zinc/93/78/64/432937864.db2.gz XPCLJHXBSPDCGU-MRXNPFEDSA-N 2 2 311.385 3.215 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000289333306 432946282 /nfs/dbraw/zinc/94/62/82/432946282.db2.gz LCGFNZOEGCWYJO-UHFFFAOYSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000289350904 432948722 /nfs/dbraw/zinc/94/87/22/432948722.db2.gz XKNCKDSNSMNDGM-IBGZPJMESA-N 2 2 315.436 3.354 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000278678917 432897820 /nfs/dbraw/zinc/89/78/20/432897820.db2.gz NRVXYYBAWXTSTO-CYBMUJFWSA-N 2 2 305.447 3.319 20 0 DGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000278678917 432897823 /nfs/dbraw/zinc/89/78/23/432897823.db2.gz NRVXYYBAWXTSTO-CYBMUJFWSA-N 2 2 305.447 3.319 20 0 DGADLP COCCN(C)c1ccc(CNc2ccc3c[nH+]ccc3c2)c[nH+]1 ZINC000296466125 432911134 /nfs/dbraw/zinc/91/11/34/432911134.db2.gz HEFMBITXAVAPIW-UHFFFAOYSA-N 2 2 322.412 3.325 20 0 DGADLP Clc1nccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000278909530 432915541 /nfs/dbraw/zinc/91/55/41/432915541.db2.gz JKSBHVZTIRHCNX-NSHDSACASA-N 2 2 311.216 3.491 20 0 DGADLP Clc1nccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000278909530 432915544 /nfs/dbraw/zinc/91/55/44/432915544.db2.gz JKSBHVZTIRHCNX-NSHDSACASA-N 2 2 311.216 3.491 20 0 DGADLP CCCN(CCC[NH+](C)C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000349424064 432958557 /nfs/dbraw/zinc/95/85/57/432958557.db2.gz YHEZIJFGBHJJPO-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000349424064 432958562 /nfs/dbraw/zinc/95/85/62/432958562.db2.gz YHEZIJFGBHJJPO-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000349424064 432958566 /nfs/dbraw/zinc/95/85/66/432958566.db2.gz YHEZIJFGBHJJPO-UHFFFAOYSA-N 2 2 314.477 3.344 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349424677 432958635 /nfs/dbraw/zinc/95/86/35/432958635.db2.gz UGOSGYLRJXXKSD-HJZRJOMTSA-N 2 2 302.462 3.053 20 0 DGADLP CC(C)OC1CC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000349424677 432958638 /nfs/dbraw/zinc/95/86/38/432958638.db2.gz UGOSGYLRJXXKSD-HJZRJOMTSA-N 2 2 302.462 3.053 20 0 DGADLP c1cn(CCCC2CC[NH+](Cc3cnn4ccccc34)CC2)c[nH+]1 ZINC000349421772 432958771 /nfs/dbraw/zinc/95/87/71/432958771.db2.gz UCJORPFUDRJAFQ-UHFFFAOYSA-N 2 2 323.444 3.223 20 0 DGADLP Cc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccn2)cc1 ZINC000297659223 433003688 /nfs/dbraw/zinc/00/36/88/433003688.db2.gz NUWDRVHIVNAUAN-LJQANCHMSA-N 2 2 306.413 3.045 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H]1C ZINC000349756932 433003848 /nfs/dbraw/zinc/00/38/48/433003848.db2.gz JDUCSCHBWRTTFY-JTDSTZFVSA-N 2 2 301.478 3.460 20 0 DGADLP Cc1cnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C ZINC000341255482 433005956 /nfs/dbraw/zinc/00/59/56/433005956.db2.gz DLXIUAJPYBPOLB-AWEZNQCLSA-N 2 2 309.417 3.073 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280161180 433009457 /nfs/dbraw/zinc/00/94/57/433009457.db2.gz QQWJDEYQSUDWNG-KSSFIOAISA-N 2 2 321.428 3.334 20 0 DGADLP CSC1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000290196915 433010338 /nfs/dbraw/zinc/01/03/38/433010338.db2.gz CRNWVTIKUYUCMO-AWEZNQCLSA-N 2 2 305.491 3.092 20 0 DGADLP c1c(CC[NH2+][C@H](c2cccnc2)C2CCC2)[nH+]c2ccccn12 ZINC000280177586 433010748 /nfs/dbraw/zinc/01/07/48/433010748.db2.gz CCVUNOFACNHXGW-IBGZPJMESA-N 2 2 306.413 3.403 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000349798132 433011628 /nfs/dbraw/zinc/01/16/28/433011628.db2.gz DPUICXKWVUYDHJ-KXBFYZLASA-N 2 2 316.489 3.239 20 0 DGADLP CCCn1nc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1C ZINC000349802170 433012754 /nfs/dbraw/zinc/01/27/54/433012754.db2.gz JMFBILWFUCBKDE-UHFFFAOYSA-N 2 2 318.509 3.360 20 0 DGADLP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000341292411 433018353 /nfs/dbraw/zinc/01/83/53/433018353.db2.gz GNQYOGGPVVGFDO-KGLIPLIRSA-N 2 2 310.869 3.053 20 0 DGADLP Cc1c[nH+]c(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1C ZINC000341289622 433018725 /nfs/dbraw/zinc/01/87/25/433018725.db2.gz RHKOTBBGFNOCMS-UHFFFAOYSA-N 2 2 301.781 3.180 20 0 DGADLP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000280239294 433020894 /nfs/dbraw/zinc/02/08/94/433020894.db2.gz WNRRSDFUZFZNKD-IBGZPJMESA-N 2 2 306.413 3.356 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000297885668 433027683 /nfs/dbraw/zinc/02/76/83/433027683.db2.gz VGMWHQGTMICVLY-LALPHHSUSA-N 2 2 305.853 3.327 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc(O)c2)CC1 ZINC000290300152 433028195 /nfs/dbraw/zinc/02/81/95/433028195.db2.gz BFFYKNHVKWBVHV-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc(O)c2)CC1 ZINC000290300152 433028200 /nfs/dbraw/zinc/02/82/00/433028200.db2.gz BFFYKNHVKWBVHV-UHFFFAOYSA-N 2 2 310.441 3.489 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297750 433028814 /nfs/dbraw/zinc/02/88/14/433028814.db2.gz AYLHEDOCETXCNK-JSGCOSHPSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297750 433028816 /nfs/dbraw/zinc/02/88/16/433028816.db2.gz AYLHEDOCETXCNK-JSGCOSHPSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297750 433028818 /nfs/dbraw/zinc/02/88/18/433028818.db2.gz AYLHEDOCETXCNK-JSGCOSHPSA-N 2 2 305.447 3.175 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000290297750 433028822 /nfs/dbraw/zinc/02/88/22/433028822.db2.gz AYLHEDOCETXCNK-JSGCOSHPSA-N 2 2 305.447 3.175 20 0 DGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]Cc2ccncc2)c[nH+]1 ZINC000290304276 433029539 /nfs/dbraw/zinc/02/95/39/433029539.db2.gz BODGMCUKBDOAQV-RBUKOAKNSA-N 2 2 304.397 3.297 20 0 DGADLP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341355354 433037127 /nfs/dbraw/zinc/03/71/27/433037127.db2.gz ABVLNZUJANLEBG-INIZCTEOSA-N 2 2 313.445 3.250 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000290365014 433037673 /nfs/dbraw/zinc/03/76/73/433037673.db2.gz QYNJRWWEJPTWHX-IKGGRYGDSA-N 2 2 308.853 3.244 20 0 DGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000290365014 433037677 /nfs/dbraw/zinc/03/76/77/433037677.db2.gz QYNJRWWEJPTWHX-IKGGRYGDSA-N 2 2 308.853 3.244 20 0 DGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccccc1OC ZINC000297980991 433039126 /nfs/dbraw/zinc/03/91/26/433039126.db2.gz XZIQTEUMXOAREZ-OAHLLOKOSA-N 2 2 301.434 3.444 20 0 DGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccccc1OC ZINC000297980991 433039130 /nfs/dbraw/zinc/03/91/30/433039130.db2.gz XZIQTEUMXOAREZ-OAHLLOKOSA-N 2 2 301.434 3.444 20 0 DGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290442816 433054203 /nfs/dbraw/zinc/05/42/03/433054203.db2.gz LVLLMQUNSRBATB-UHFFFAOYSA-N 2 2 315.417 3.050 20 0 DGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000290442816 433054204 /nfs/dbraw/zinc/05/42/04/433054204.db2.gz LVLLMQUNSRBATB-UHFFFAOYSA-N 2 2 315.417 3.050 20 0 DGADLP CCc1ccc([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000298244100 433068552 /nfs/dbraw/zinc/06/85/52/433068552.db2.gz CQVCDPKDIUSFHZ-HXUWFJFHSA-N 2 2 315.505 3.068 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453294916 433070064 /nfs/dbraw/zinc/07/00/64/433070064.db2.gz RHIIXCUFYTWMGE-IEBWSBKVSA-N 2 2 316.489 3.117 20 0 DGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453294916 433070070 /nfs/dbraw/zinc/07/00/70/433070070.db2.gz RHIIXCUFYTWMGE-IEBWSBKVSA-N 2 2 316.489 3.117 20 0 DGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000446743422 433099204 /nfs/dbraw/zinc/09/92/04/433099204.db2.gz UZHBEUMTQVLZSD-GOSISDBHSA-N 2 2 301.434 3.104 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[NH+]1CCCCC1 ZINC000446757109 433099365 /nfs/dbraw/zinc/09/93/65/433099365.db2.gz QNVCNRZTEXBQHY-IBGZPJMESA-N 2 2 304.478 3.303 20 0 DGADLP Cc1ccc2c(C)cc(N[C@H]3CCN(c4cccc[nH+]4)C3)[nH+]c2c1 ZINC000460934070 433073063 /nfs/dbraw/zinc/07/30/63/433073063.db2.gz ABYJZAUVNZPATB-INIZCTEOSA-N 2 2 318.424 3.359 20 0 DGADLP Cc1cc(NCCCC[N@H+]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341476849 433082487 /nfs/dbraw/zinc/08/24/87/433082487.db2.gz GDSBQUAMYLPPEW-AWEZNQCLSA-N 2 2 302.466 3.586 20 0 DGADLP Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341476849 433082500 /nfs/dbraw/zinc/08/25/00/433082500.db2.gz GDSBQUAMYLPPEW-AWEZNQCLSA-N 2 2 302.466 3.586 20 0 DGADLP Cc1cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341491107 433090177 /nfs/dbraw/zinc/09/01/77/433090177.db2.gz CWXYMMDBWMNWDT-YJBOKZPZSA-N 2 2 322.456 3.910 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000373096369 433093302 /nfs/dbraw/zinc/09/33/02/433093302.db2.gz CQTYQTMSYQXGGG-AWEZNQCLSA-N 2 2 305.372 3.120 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000373096369 433093310 /nfs/dbraw/zinc/09/33/10/433093310.db2.gz CQTYQTMSYQXGGG-AWEZNQCLSA-N 2 2 305.372 3.120 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3ccc(C)cn13)CCO2 ZINC000341545917 433127740 /nfs/dbraw/zinc/12/77/40/433127740.db2.gz LXGJUIVQIDQJOZ-QGZVFWFLSA-N 2 2 323.396 3.265 20 0 DGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1OC ZINC000280668818 433128634 /nfs/dbraw/zinc/12/86/34/433128634.db2.gz UAWLRZOAJWEYAT-HUUCEWRRSA-N 2 2 320.477 3.270 20 0 DGADLP CCOCCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000361365786 433132153 /nfs/dbraw/zinc/13/21/53/433132153.db2.gz NCPAZIKPOYXDPW-UHFFFAOYSA-N 2 2 322.415 3.200 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000446939852 433132783 /nfs/dbraw/zinc/13/27/83/433132783.db2.gz QFMKEHWPMWLLIW-VDGAXYAQSA-N 2 2 316.489 3.300 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000446939852 433132793 /nfs/dbraw/zinc/13/27/93/433132793.db2.gz QFMKEHWPMWLLIW-VDGAXYAQSA-N 2 2 316.489 3.300 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000373225939 433134851 /nfs/dbraw/zinc/13/48/51/433134851.db2.gz BOCILHKELCZISO-ZDUSSCGKSA-N 2 2 304.463 3.380 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000373225939 433134861 /nfs/dbraw/zinc/13/48/61/433134861.db2.gz BOCILHKELCZISO-ZDUSSCGKSA-N 2 2 304.463 3.380 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000290687841 433140028 /nfs/dbraw/zinc/14/00/28/433140028.db2.gz MJOFAGYFIOJTBP-NTZNESFSSA-N 2 2 324.266 3.120 20 0 DGADLP CCCCn1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(C)n1 ZINC000354545597 433141274 /nfs/dbraw/zinc/14/12/74/433141274.db2.gz QSELNACKMMAONC-UHFFFAOYSA-N 2 2 300.450 3.417 20 0 DGADLP CC(C)(C)c1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000420263427 433142611 /nfs/dbraw/zinc/14/26/11/433142611.db2.gz SOPBOCJNYYDINU-KGLIPLIRSA-N 2 2 316.493 3.117 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388650 433144783 /nfs/dbraw/zinc/14/47/83/433144783.db2.gz BVKPZIMKIRJJPP-IEBWSBKVSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C1 ZINC000453388650 433144793 /nfs/dbraw/zinc/14/47/93/433144793.db2.gz BVKPZIMKIRJJPP-IEBWSBKVSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453388650 433144801 /nfs/dbraw/zinc/14/48/01/433144801.db2.gz BVKPZIMKIRJJPP-IEBWSBKVSA-N 3 2 315.505 3.286 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453388650 433144814 /nfs/dbraw/zinc/14/48/14/433144814.db2.gz BVKPZIMKIRJJPP-IEBWSBKVSA-N 3 2 315.505 3.286 20 0 DGADLP CCc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000425281559 433147116 /nfs/dbraw/zinc/14/71/16/433147116.db2.gz ZZRUMBOWKGWJMK-PKOBYXMFSA-N 2 2 322.456 3.058 20 0 DGADLP CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000425281559 433147120 /nfs/dbraw/zinc/14/71/20/433147120.db2.gz ZZRUMBOWKGWJMK-PKOBYXMFSA-N 2 2 322.456 3.058 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420296968 433150855 /nfs/dbraw/zinc/15/08/55/433150855.db2.gz XSYSICRHMDJZKR-KRWDZBQOSA-N 2 2 320.868 3.331 20 0 DGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000420296968 433150861 /nfs/dbraw/zinc/15/08/61/433150861.db2.gz XSYSICRHMDJZKR-KRWDZBQOSA-N 2 2 320.868 3.331 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420293490 433150897 /nfs/dbraw/zinc/15/08/97/433150897.db2.gz RBAVEISMIYRVHO-INIZCTEOSA-N 2 2 316.836 3.029 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000420293490 433150906 /nfs/dbraw/zinc/15/09/06/433150906.db2.gz RBAVEISMIYRVHO-INIZCTEOSA-N 2 2 316.836 3.029 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000361400752 433151892 /nfs/dbraw/zinc/15/18/92/433151892.db2.gz RKVAAAKOFBPCSK-QAPCUYQASA-N 2 2 319.518 3.025 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCSCC1 ZINC000361400752 433151905 /nfs/dbraw/zinc/15/19/05/433151905.db2.gz RKVAAAKOFBPCSK-QAPCUYQASA-N 2 2 319.518 3.025 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453342646 433102573 /nfs/dbraw/zinc/10/25/73/433102573.db2.gz IRIFLOLBOBPAQF-KCITZHQASA-N 2 2 301.478 3.174 20 0 DGADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453342646 433102585 /nfs/dbraw/zinc/10/25/85/433102585.db2.gz IRIFLOLBOBPAQF-KCITZHQASA-N 2 2 301.478 3.174 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446757785 433106042 /nfs/dbraw/zinc/10/60/42/433106042.db2.gz WFHAFCCFUOHLLO-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000446757785 433106052 /nfs/dbraw/zinc/10/60/52/433106052.db2.gz WFHAFCCFUOHLLO-RTBURBONSA-N 2 2 304.478 3.302 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCOC2CCCC2)CC1 ZINC000361323417 433109452 /nfs/dbraw/zinc/10/94/52/433109452.db2.gz FSXCIHRKEBVPNY-UHFFFAOYSA-N 2 2 322.415 3.342 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000290615114 433118858 /nfs/dbraw/zinc/11/88/58/433118858.db2.gz WWRCTXNRTQIVNM-UHFFFAOYSA-N 2 2 306.479 3.468 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000290615114 433118871 /nfs/dbraw/zinc/11/88/71/433118871.db2.gz WWRCTXNRTQIVNM-UHFFFAOYSA-N 2 2 306.479 3.468 20 0 DGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000420319282 433159269 /nfs/dbraw/zinc/15/92/69/433159269.db2.gz RNZJIVXSCIMFGX-HOCLYGCPSA-N 2 2 308.853 3.311 20 0 DGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000420319282 433159275 /nfs/dbraw/zinc/15/92/75/433159275.db2.gz RNZJIVXSCIMFGX-HOCLYGCPSA-N 2 2 308.853 3.311 20 0 DGADLP [NH3+]CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000420317437 433160907 /nfs/dbraw/zinc/16/09/07/433160907.db2.gz MZJJUTNCEMMAOS-HNNXBMFYSA-N 2 2 304.825 3.216 20 0 DGADLP [NH3+]CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000420317437 433160933 /nfs/dbraw/zinc/16/09/33/433160933.db2.gz MZJJUTNCEMMAOS-HNNXBMFYSA-N 2 2 304.825 3.216 20 0 DGADLP Cc1c(Br)cccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420313667 433161633 /nfs/dbraw/zinc/16/16/33/433161633.db2.gz JHLZQIPBQWAWNU-AWEZNQCLSA-N 2 2 309.251 3.084 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420313667 433161641 /nfs/dbraw/zinc/16/16/41/433161641.db2.gz JHLZQIPBQWAWNU-AWEZNQCLSA-N 2 2 309.251 3.084 20 0 DGADLP C[NH2+]CC[N@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000420338720 433171487 /nfs/dbraw/zinc/17/14/87/433171487.db2.gz ORJBQHRSLPKXPY-UHFFFAOYSA-N 2 2 304.356 3.016 20 0 DGADLP C[NH2+]CC[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000420338720 433171494 /nfs/dbraw/zinc/17/14/94/433171494.db2.gz ORJBQHRSLPKXPY-UHFFFAOYSA-N 2 2 304.356 3.016 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000336659919 433172216 /nfs/dbraw/zinc/17/22/16/433172216.db2.gz QLNGMUCBRFKJGC-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP COC1(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000336659919 433172226 /nfs/dbraw/zinc/17/22/26/433172226.db2.gz QLNGMUCBRFKJGC-FUHWJXTLSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420355800 433175937 /nfs/dbraw/zinc/17/59/37/433175937.db2.gz CMFQONRHDFGNRS-SPYBWZPUSA-N 2 2 323.440 3.279 20 0 DGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420355800 433175942 /nfs/dbraw/zinc/17/59/42/433175942.db2.gz CMFQONRHDFGNRS-SPYBWZPUSA-N 2 2 323.440 3.279 20 0 DGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420359165 433176030 /nfs/dbraw/zinc/17/60/30/433176030.db2.gz GCTIYQXMPIOGSQ-CLCXKQKWSA-N 2 2 311.429 3.350 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420352948 433176862 /nfs/dbraw/zinc/17/68/62/433176862.db2.gz BAIUTUSJFSHJQC-GOSISDBHSA-N 2 2 317.477 3.246 20 0 DGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000420371080 433180841 /nfs/dbraw/zinc/18/08/41/433180841.db2.gz KEBWABCNBOOHKG-AWEZNQCLSA-N 2 2 315.230 3.335 20 0 DGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000420371080 433180849 /nfs/dbraw/zinc/18/08/49/433180849.db2.gz KEBWABCNBOOHKG-AWEZNQCLSA-N 2 2 315.230 3.335 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000420364331 433181759 /nfs/dbraw/zinc/18/17/59/433181759.db2.gz KHNKRFNLVHBBTL-WQGACYEGSA-N 2 2 303.837 3.364 20 0 DGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420371416 433185818 /nfs/dbraw/zinc/18/58/18/433185818.db2.gz PKOYHZZSBNLYAB-IIDMSEBBSA-N 2 2 317.477 3.033 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719366 433188228 /nfs/dbraw/zinc/18/82/28/433188228.db2.gz RYQJKAJFFWLJBJ-XOYOTBSWSA-N 2 2 302.462 3.053 20 0 DGADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000336719366 433188237 /nfs/dbraw/zinc/18/82/37/433188237.db2.gz RYQJKAJFFWLJBJ-XOYOTBSWSA-N 2 2 302.462 3.053 20 0 DGADLP CC(C)n1nccc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000280823094 433189069 /nfs/dbraw/zinc/18/90/69/433189069.db2.gz IVEYJVGQRKWHJC-KRWDZBQOSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1nccc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000280823094 433189084 /nfs/dbraw/zinc/18/90/84/433189084.db2.gz IVEYJVGQRKWHJC-KRWDZBQOSA-N 2 2 314.477 3.464 20 0 DGADLP c1csc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420383783 433193081 /nfs/dbraw/zinc/19/30/81/433193081.db2.gz DOUOZCBAVURVBO-UKRRQHHQSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420383783 433193090 /nfs/dbraw/zinc/19/30/90/433193090.db2.gz DOUOZCBAVURVBO-UKRRQHHQSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420385748 433194458 /nfs/dbraw/zinc/19/44/58/433194458.db2.gz FGSBZOIREYQRNP-KGLIPLIRSA-N 2 2 317.458 3.367 20 0 DGADLP c1csc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420385748 433194464 /nfs/dbraw/zinc/19/44/64/433194464.db2.gz FGSBZOIREYQRNP-KGLIPLIRSA-N 2 2 317.458 3.367 20 0 DGADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000453452935 433195831 /nfs/dbraw/zinc/19/58/31/433195831.db2.gz SOCJAPAUBCWHNP-OALUTQOASA-N 2 2 301.478 3.460 20 0 DGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)Cc1ccccc1 ZINC000337383629 433225161 /nfs/dbraw/zinc/22/51/61/433225161.db2.gz KCQQYMJLYPPLKB-MOPGFXCFSA-N 2 2 316.489 3.098 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000447555907 433225798 /nfs/dbraw/zinc/22/57/98/433225798.db2.gz DLBXPJLNJNEGIW-SLEUVZQESA-N 2 2 311.267 3.440 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000447555907 433225808 /nfs/dbraw/zinc/22/58/08/433225808.db2.gz DLBXPJLNJNEGIW-SLEUVZQESA-N 2 2 311.267 3.440 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000453601591 433230717 /nfs/dbraw/zinc/23/07/17/433230717.db2.gz FCIHUNZBGREUIT-LJQANCHMSA-N 2 2 318.461 3.376 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000453601591 433230722 /nfs/dbraw/zinc/23/07/22/433230722.db2.gz FCIHUNZBGREUIT-LJQANCHMSA-N 2 2 318.461 3.376 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C12CCCC2 ZINC000447592509 433238660 /nfs/dbraw/zinc/23/86/60/433238660.db2.gz LZCAOSWAMYKTCD-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C12CCCC2 ZINC000447592509 433238667 /nfs/dbraw/zinc/23/86/67/433238667.db2.gz LZCAOSWAMYKTCD-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000341762937 433257917 /nfs/dbraw/zinc/25/79/17/433257917.db2.gz VWLJMIXOQLBTER-PKOBYXMFSA-N 2 2 320.452 3.150 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000341762937 433257925 /nfs/dbraw/zinc/25/79/25/433257925.db2.gz VWLJMIXOQLBTER-PKOBYXMFSA-N 2 2 320.452 3.150 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000291513185 433258309 /nfs/dbraw/zinc/25/83/09/433258309.db2.gz IMXDQVWAPJAARD-WOJBJXKFSA-N 2 2 310.441 3.078 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425483865 433263194 /nfs/dbraw/zinc/26/31/94/433263194.db2.gz VGUKREUZZXXODR-INIZCTEOSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425483865 433263206 /nfs/dbraw/zinc/26/32/06/433263206.db2.gz VGUKREUZZXXODR-INIZCTEOSA-N 2 2 321.465 3.168 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000420925600 433319338 /nfs/dbraw/zinc/31/93/38/433319338.db2.gz LXFYJZKUDZUMAY-GOSISDBHSA-N 2 2 301.409 3.428 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000420925600 433319347 /nfs/dbraw/zinc/31/93/47/433319347.db2.gz LXFYJZKUDZUMAY-GOSISDBHSA-N 2 2 301.409 3.428 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000420929949 433323160 /nfs/dbraw/zinc/32/31/60/433323160.db2.gz RESJVSLHIUGZLF-GOSISDBHSA-N 2 2 301.409 3.199 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000420929949 433323166 /nfs/dbraw/zinc/32/31/66/433323166.db2.gz RESJVSLHIUGZLF-GOSISDBHSA-N 2 2 301.409 3.199 20 0 DGADLP C[NH+](C)CCC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447735845 433272187 /nfs/dbraw/zinc/27/21/87/433272187.db2.gz HPEHYZWHWWSZLW-UHFFFAOYSA-N 2 2 321.412 3.326 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999473 433272791 /nfs/dbraw/zinc/27/27/91/433272791.db2.gz OTDNGMCLNRZYHF-QUCCMNQESA-N 2 2 314.473 3.035 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999473 433272796 /nfs/dbraw/zinc/27/27/96/433272796.db2.gz OTDNGMCLNRZYHF-QUCCMNQESA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999473 433272803 /nfs/dbraw/zinc/27/28/03/433272803.db2.gz OTDNGMCLNRZYHF-QUCCMNQESA-N 2 2 314.473 3.035 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000337999473 433272812 /nfs/dbraw/zinc/27/28/12/433272812.db2.gz OTDNGMCLNRZYHF-QUCCMNQESA-N 2 2 314.473 3.035 20 0 DGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595221 433274483 /nfs/dbraw/zinc/27/44/83/433274483.db2.gz TZYKDAMOEWUWTJ-HKUYNNGSSA-N 2 2 300.446 3.001 20 0 DGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595221 433274492 /nfs/dbraw/zinc/27/44/92/433274492.db2.gz TZYKDAMOEWUWTJ-HKUYNNGSSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595221 433274499 /nfs/dbraw/zinc/27/44/99/433274499.db2.gz TZYKDAMOEWUWTJ-HKUYNNGSSA-N 2 2 300.446 3.001 20 0 DGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)[C@H]2C1 ZINC000361595221 433274507 /nfs/dbraw/zinc/27/45/07/433274507.db2.gz TZYKDAMOEWUWTJ-HKUYNNGSSA-N 2 2 300.446 3.001 20 0 DGADLP Cc1cc(C[NH2+]CCCc2c[nH+]ccc2C)cc(N2CCCC2)n1 ZINC000291590882 433279099 /nfs/dbraw/zinc/27/90/99/433279099.db2.gz PTYVYXPTYSMQQQ-UHFFFAOYSA-N 2 2 324.472 3.416 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447828710 433293681 /nfs/dbraw/zinc/29/36/81/433293681.db2.gz GEFAARRAGQNLFM-GOSISDBHSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447828710 433293688 /nfs/dbraw/zinc/29/36/88/433293688.db2.gz GEFAARRAGQNLFM-GOSISDBHSA-N 2 2 313.445 3.428 20 0 DGADLP Cc1ccccc1C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904986 433302933 /nfs/dbraw/zinc/30/29/33/433302933.db2.gz QIHGKXXCJZGSGH-UHFFFAOYSA-N 2 2 324.468 3.459 20 0 DGADLP Cc1ccccc1C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904986 433302941 /nfs/dbraw/zinc/30/29/41/433302941.db2.gz QIHGKXXCJZGSGH-UHFFFAOYSA-N 2 2 324.468 3.459 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C[NH+](C)C ZINC000291677525 433307987 /nfs/dbraw/zinc/30/79/87/433307987.db2.gz HFLHHQHASMMTJZ-OAHLLOKOSA-N 3 2 323.912 3.092 20 0 DGADLP CC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420908525 433309260 /nfs/dbraw/zinc/30/92/60/433309260.db2.gz WXLWGBBIKGUZJV-KRWDZBQOSA-N 2 2 302.462 3.141 20 0 DGADLP CC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420908525 433309273 /nfs/dbraw/zinc/30/92/73/433309273.db2.gz WXLWGBBIKGUZJV-KRWDZBQOSA-N 2 2 302.462 3.141 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000448024283 433352795 /nfs/dbraw/zinc/35/27/95/433352795.db2.gz XMDGWVXWWASNNX-NXOAAHMSSA-N 2 2 306.494 3.044 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000448024283 433352805 /nfs/dbraw/zinc/35/28/05/433352805.db2.gz XMDGWVXWWASNNX-NXOAAHMSSA-N 2 2 306.494 3.044 20 0 DGADLP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375084349 433355268 /nfs/dbraw/zinc/35/52/68/433355268.db2.gz GKBCAHXRLVQRAR-GFCCVEGCSA-N 2 2 314.414 3.188 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000420962608 433357789 /nfs/dbraw/zinc/35/77/89/433357789.db2.gz KQYPBADIOSCFKY-HXUWFJFHSA-N 2 2 314.473 3.141 20 0 DGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000420962608 433357797 /nfs/dbraw/zinc/35/77/97/433357797.db2.gz KQYPBADIOSCFKY-HXUWFJFHSA-N 2 2 314.473 3.141 20 0 DGADLP C[N@H+](CCC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341917414 433358204 /nfs/dbraw/zinc/35/82/04/433358204.db2.gz DJLUUGPATFRZOT-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP C[N@@H+](CCC1CC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341917414 433358213 /nfs/dbraw/zinc/35/82/13/433358213.db2.gz DJLUUGPATFRZOT-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CCC1CC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341917414 433358219 /nfs/dbraw/zinc/35/82/19/433358219.db2.gz DJLUUGPATFRZOT-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+](CCC1CC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341917414 433358229 /nfs/dbraw/zinc/35/82/29/433358229.db2.gz DJLUUGPATFRZOT-LJQANCHMSA-N 2 2 302.462 3.009 20 0 DGADLP CC(C)[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341917084 433359350 /nfs/dbraw/zinc/35/93/50/433359350.db2.gz WKPJQBSSTUDGCA-LJQANCHMSA-N 2 2 304.478 3.396 20 0 DGADLP CC(C)[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341917084 433359355 /nfs/dbraw/zinc/35/93/55/433359355.db2.gz WKPJQBSSTUDGCA-LJQANCHMSA-N 2 2 304.478 3.396 20 0 DGADLP Cc1ccoc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420973964 433359577 /nfs/dbraw/zinc/35/95/77/433359577.db2.gz NWBCBTXJIMNLEW-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP Cc1ccoc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420973964 433359585 /nfs/dbraw/zinc/35/95/85/433359585.db2.gz NWBCBTXJIMNLEW-UHFFFAOYSA-N 2 2 314.429 3.052 20 0 DGADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO[C@H]1C1CC1 ZINC000375119723 433368776 /nfs/dbraw/zinc/36/87/76/433368776.db2.gz FNPBSNISFCGMRH-OALUTQOASA-N 2 2 311.429 3.167 20 0 DGADLP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1c(F)cccc1F ZINC000425902661 433370900 /nfs/dbraw/zinc/37/09/00/433370900.db2.gz SZQKTNLVNGWFNS-LLVKDONJSA-N 2 2 321.371 3.271 20 0 DGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1C ZINC000414070105 433375190 /nfs/dbraw/zinc/37/51/90/433375190.db2.gz KXDAUAFQPSGKHW-LZQZEXGQSA-N 2 2 302.462 3.043 20 0 DGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341887414 433339711 /nfs/dbraw/zinc/33/97/11/433339711.db2.gz IEAGMYMZSRHOAT-UHFFFAOYSA-N 2 2 315.383 3.407 20 0 DGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341887414 433339718 /nfs/dbraw/zinc/33/97/18/433339718.db2.gz IEAGMYMZSRHOAT-UHFFFAOYSA-N 2 2 315.383 3.407 20 0 DGADLP CCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893776 433340391 /nfs/dbraw/zinc/34/03/91/433340391.db2.gz TTYUNNHWBBYLLO-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893776 433340398 /nfs/dbraw/zinc/34/03/98/433340398.db2.gz TTYUNNHWBBYLLO-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893776 433340407 /nfs/dbraw/zinc/34/04/07/433340407.db2.gz TTYUNNHWBBYLLO-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP CCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000341893776 433340417 /nfs/dbraw/zinc/34/04/17/433340417.db2.gz TTYUNNHWBBYLLO-LJQANCHMSA-N 2 2 302.462 3.152 20 0 DGADLP COCc1cc(NC[C@H](C)C[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000292011132 433429626 /nfs/dbraw/zinc/42/96/26/433429626.db2.gz ZKNWUTNFEHYZOR-LBPRGKRZSA-N 2 2 305.397 3.130 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135169 433381798 /nfs/dbraw/zinc/38/17/98/433381798.db2.gz IIFLCNUJIMIMAI-HIFRSBDPSA-N 2 2 307.401 3.205 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339135169 433381810 /nfs/dbraw/zinc/38/18/10/433381810.db2.gz IIFLCNUJIMIMAI-HIFRSBDPSA-N 2 2 307.401 3.205 20 0 DGADLP COc1ccc(C[C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000414083594 433385384 /nfs/dbraw/zinc/38/53/84/433385384.db2.gz WTUOGBJCJLFRHP-AWEZNQCLSA-N 2 2 324.428 3.120 20 0 DGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000300410690 433393078 /nfs/dbraw/zinc/39/30/78/433393078.db2.gz JNYUZBMMZQCBLM-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000300410690 433393085 /nfs/dbraw/zinc/39/30/85/433393085.db2.gz JNYUZBMMZQCBLM-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)[C@@H]1C[C@@H]1C ZINC000414099445 433394784 /nfs/dbraw/zinc/39/47/84/433394784.db2.gz QIXPSJIENXIXIO-QGTPRVQTSA-N 2 2 316.493 3.459 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341993216 433402113 /nfs/dbraw/zinc/40/21/13/433402113.db2.gz OVXSGUNBANMQNV-INIZCTEOSA-N 2 2 309.335 3.040 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341993216 433402122 /nfs/dbraw/zinc/40/21/22/433402122.db2.gz OVXSGUNBANMQNV-INIZCTEOSA-N 2 2 309.335 3.040 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000414112087 433402675 /nfs/dbraw/zinc/40/26/75/433402675.db2.gz JQUPQEGTPWTOFE-JKSUJKDBSA-N 2 2 312.461 3.296 20 0 DGADLP COc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000414121408 433409919 /nfs/dbraw/zinc/40/99/19/433409919.db2.gz ZLPZWZBKCZVVJH-WMLDXEAASA-N 2 2 308.491 3.092 20 0 DGADLP C[N@@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301101023 433412790 /nfs/dbraw/zinc/41/27/90/433412790.db2.gz HPPKZWYJPSMNRT-UHFFFAOYSA-N 2 2 320.234 3.139 20 0 DGADLP C[N@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301101023 433412799 /nfs/dbraw/zinc/41/27/99/433412799.db2.gz HPPKZWYJPSMNRT-UHFFFAOYSA-N 2 2 320.234 3.139 20 0 DGADLP CSCc1cnc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000339171625 433413968 /nfs/dbraw/zinc/41/39/68/433413968.db2.gz SGGWLXXGQUREII-ZDUSSCGKSA-N 2 2 313.536 3.360 20 0 DGADLP CSCc1cnc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000339171625 433413977 /nfs/dbraw/zinc/41/39/77/433413977.db2.gz SGGWLXXGQUREII-ZDUSSCGKSA-N 2 2 313.536 3.360 20 0 DGADLP Cc1cc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc(C)[nH+]1 ZINC000421082440 433422976 /nfs/dbraw/zinc/42/29/76/433422976.db2.gz NYJVNEOSGZGINC-UHFFFAOYSA-N 2 2 312.417 3.082 20 0 DGADLP C[NH+](C)CCOc1ccc([NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000281915064 433425171 /nfs/dbraw/zinc/42/51/71/433425171.db2.gz AGCOQCTWVDHBPN-SFHVURJKSA-N 2 2 318.461 3.388 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc1C ZINC000414172904 433436330 /nfs/dbraw/zinc/43/63/30/433436330.db2.gz WJFAERFRINKSKA-JXFKEZNVSA-N 2 2 324.472 3.094 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc1C ZINC000414172904 433436336 /nfs/dbraw/zinc/43/63/36/433436336.db2.gz WJFAERFRINKSKA-JXFKEZNVSA-N 2 2 324.472 3.094 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711665 533693077 /nfs/dbraw/zinc/69/30/77/533693077.db2.gz QMLMNVZZRHASDN-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)nn1C ZINC000281959422 433445523 /nfs/dbraw/zinc/44/55/23/433445523.db2.gz AXUMEKAMMYRHTF-NVXWUHKLSA-N 2 2 314.477 3.290 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)nn1C ZINC000281959422 433445535 /nfs/dbraw/zinc/44/55/35/433445535.db2.gz AXUMEKAMMYRHTF-NVXWUHKLSA-N 2 2 314.477 3.290 20 0 DGADLP C[NH+](C)CC1(C[NH2+][C@H](c2ccccc2)c2cncnc2)CCCC1 ZINC000355071287 433449290 /nfs/dbraw/zinc/44/92/90/433449290.db2.gz VEKHPBLBJYWNEY-LJQANCHMSA-N 2 2 324.472 3.278 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000292073988 433451904 /nfs/dbraw/zinc/45/19/04/433451904.db2.gz DYBQNNDEDSZQSG-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000292073988 433451915 /nfs/dbraw/zinc/45/19/15/433451915.db2.gz DYBQNNDEDSZQSG-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3sccc3Br)C2)C1 ZINC000292073988 433451925 /nfs/dbraw/zinc/45/19/25/433451925.db2.gz DYBQNNDEDSZQSG-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000292073988 433451935 /nfs/dbraw/zinc/45/19/35/433451935.db2.gz DYBQNNDEDSZQSG-ZDUSSCGKSA-N 2 2 315.280 3.038 20 0 DGADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711665 533693056 /nfs/dbraw/zinc/69/30/56/533693056.db2.gz QMLMNVZZRHASDN-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429711665 533693065 /nfs/dbraw/zinc/69/30/65/533693065.db2.gz QMLMNVZZRHASDN-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000361921859 433454561 /nfs/dbraw/zinc/45/45/61/433454561.db2.gz DYGVESGQGIROQB-SJLPKXTDSA-N 2 2 301.478 3.462 20 0 DGADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000361921859 433454575 /nfs/dbraw/zinc/45/45/75/433454575.db2.gz DYGVESGQGIROQB-SJLPKXTDSA-N 2 2 301.478 3.462 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC000342083780 433457311 /nfs/dbraw/zinc/45/73/11/433457311.db2.gz KUTGPRJPESGPSF-NUEKZKHPSA-N 2 2 305.491 3.360 20 0 DGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(C4CCCC4)n3)C[C@H]21 ZINC000342083780 433457318 /nfs/dbraw/zinc/45/73/18/433457318.db2.gz KUTGPRJPESGPSF-NUEKZKHPSA-N 2 2 305.491 3.360 20 0 DGADLP C[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429711665 533693072 /nfs/dbraw/zinc/69/30/72/533693072.db2.gz QMLMNVZZRHASDN-MJGOQNOKSA-N 2 2 302.462 3.009 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108699 433464672 /nfs/dbraw/zinc/46/46/72/433464672.db2.gz IUXQWXABNYBICK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108699 433464677 /nfs/dbraw/zinc/46/46/77/433464677.db2.gz IUXQWXABNYBICK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108699 433464660 /nfs/dbraw/zinc/46/46/60/433464660.db2.gz IUXQWXABNYBICK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC000292108699 433464666 /nfs/dbraw/zinc/46/46/66/433464666.db2.gz IUXQWXABNYBICK-SFHVURJKSA-N 2 2 313.470 3.338 20 0 DGADLP Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc[nH+]1 ZINC000301244889 433468777 /nfs/dbraw/zinc/46/87/77/433468777.db2.gz NPLRJSYSACJICQ-UHFFFAOYSA-N 2 2 302.447 3.171 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4cccs4)n3)C[C@H]21 ZINC000342098757 433469226 /nfs/dbraw/zinc/46/92/26/433469226.db2.gz IWUJUWZQLGXQCK-MRVWCRGKSA-N 2 2 319.499 3.431 20 0 DGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4cccs4)n3)C[C@H]21 ZINC000342098757 433469236 /nfs/dbraw/zinc/46/92/36/433469236.db2.gz IWUJUWZQLGXQCK-MRVWCRGKSA-N 2 2 319.499 3.431 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000414229830 433469641 /nfs/dbraw/zinc/46/96/41/433469641.db2.gz FQPXKHPZNWWUGV-FEHORTKBSA-N 2 2 316.489 3.300 20 0 DGADLP CO[C@@](C)([C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000414229830 433469649 /nfs/dbraw/zinc/46/96/49/433469649.db2.gz FQPXKHPZNWWUGV-FEHORTKBSA-N 2 2 316.489 3.300 20 0 DGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361967988 433474439 /nfs/dbraw/zinc/47/44/39/433474439.db2.gz XXKWJOVSRMDTSU-WMZOPIPTSA-N 2 2 320.502 3.236 20 0 DGADLP CC1CC[NH+](CCCNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301264501 433475506 /nfs/dbraw/zinc/47/55/06/433475506.db2.gz TVKXINZXUKWGIX-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP CC1CC[NH+](CCCNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301264501 433475514 /nfs/dbraw/zinc/47/55/14/433475514.db2.gz TVKXINZXUKWGIX-UHFFFAOYSA-N 2 2 317.481 3.001 20 0 DGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CCSC1 ZINC000361972757 433476833 /nfs/dbraw/zinc/47/68/33/433476833.db2.gz UCWFBAKXCQJGHJ-JKSUJKDBSA-N 2 2 310.894 3.354 20 0 DGADLP CSCc1cnc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000339264218 433477076 /nfs/dbraw/zinc/47/70/76/433477076.db2.gz LPWCQOMWZRTIRQ-ZDUSSCGKSA-N 2 2 315.552 3.462 20 0 DGADLP Cc1cccc(NCCNc2[nH+]ccc(C)c2Br)[nH+]1 ZINC000342120248 433481205 /nfs/dbraw/zinc/48/12/05/433481205.db2.gz AZASQGJOXCECHP-UHFFFAOYSA-N 2 2 321.222 3.380 20 0 DGADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)C(C)C ZINC000414286061 433512925 /nfs/dbraw/zinc/51/29/25/433512925.db2.gz CEDMDRVFHUMPJF-FHLIZLRMSA-N 2 2 301.434 3.318 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488790 433526651 /nfs/dbraw/zinc/52/66/51/433526651.db2.gz GOCKVKKKMSOKTI-CJNGLKHVSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351488790 433526665 /nfs/dbraw/zinc/52/66/65/433526665.db2.gz GOCKVKKKMSOKTI-CJNGLKHVSA-N 2 2 322.880 3.321 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351488790 433526684 /nfs/dbraw/zinc/52/66/84/433526684.db2.gz GOCKVKKKMSOKTI-CJNGLKHVSA-N 2 2 322.880 3.321 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)nn1C ZINC000282233808 433539820 /nfs/dbraw/zinc/53/98/20/433539820.db2.gz POAPGGFUBJLHIV-CQSZACIVSA-N 2 2 311.433 3.128 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1O ZINC000426403392 433488571 /nfs/dbraw/zinc/48/85/71/433488571.db2.gz WHKBLBZHNBUKLS-CVEARBPZSA-N 2 2 320.477 3.043 20 0 DGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1O ZINC000426403392 433488578 /nfs/dbraw/zinc/48/85/78/433488578.db2.gz WHKBLBZHNBUKLS-CVEARBPZSA-N 2 2 320.477 3.043 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c[nH+]1 ZINC000355140825 433488985 /nfs/dbraw/zinc/48/89/85/433488985.db2.gz VNPLPZCHQAMOCZ-NRFANRHFSA-N 2 2 324.468 3.392 20 0 DGADLP Cc1ccc(CCC[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c[nH+]1 ZINC000355140825 433488988 /nfs/dbraw/zinc/48/89/88/433488988.db2.gz VNPLPZCHQAMOCZ-NRFANRHFSA-N 2 2 324.468 3.392 20 0 DGADLP CC[N@H+](CCNc1nc(-c2ccncc2)[nH+]c(C)c1C)C1CC1 ZINC000301289597 433490472 /nfs/dbraw/zinc/49/04/72/433490472.db2.gz SQDOAYIRLKDDLR-UHFFFAOYSA-N 2 2 311.433 3.052 20 0 DGADLP CC[N@@H+](CCNc1nc(-c2ccncc2)[nH+]c(C)c1C)C1CC1 ZINC000301289597 433490482 /nfs/dbraw/zinc/49/04/82/433490482.db2.gz SQDOAYIRLKDDLR-UHFFFAOYSA-N 2 2 311.433 3.052 20 0 DGADLP CCCc1csc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000426416797 433493656 /nfs/dbraw/zinc/49/36/56/433493656.db2.gz MACLDKJSTOJRDJ-OAHLLOKOSA-N 2 2 303.431 3.144 20 0 DGADLP CCCc1csc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000426416797 433493662 /nfs/dbraw/zinc/49/36/62/433493662.db2.gz MACLDKJSTOJRDJ-OAHLLOKOSA-N 2 2 303.431 3.144 20 0 DGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000339293149 433505638 /nfs/dbraw/zinc/50/56/38/433505638.db2.gz IRASFVXUFJAWJB-ROUUACIJSA-N 2 2 313.445 3.228 20 0 DGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000414279734 433510033 /nfs/dbraw/zinc/51/00/33/433510033.db2.gz JSKAAFHCOYMXOL-WHEVEAIOSA-N 2 2 302.462 3.225 20 0 DGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000414279734 433510039 /nfs/dbraw/zinc/51/00/39/433510039.db2.gz JSKAAFHCOYMXOL-WHEVEAIOSA-N 2 2 302.462 3.225 20 0 DGADLP C[N@H+](Cc1cc(-c2ccccc2)on1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375751942 433550339 /nfs/dbraw/zinc/55/03/39/433550339.db2.gz YUPNWVPEZINMCK-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP C[N@@H+](Cc1cc(-c2ccccc2)on1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375751942 433550348 /nfs/dbraw/zinc/55/03/48/433550348.db2.gz YUPNWVPEZINMCK-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1cc(-c2ccccc2)on1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375751942 433550357 /nfs/dbraw/zinc/55/03/57/433550357.db2.gz YUPNWVPEZINMCK-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP C[NH+](Cc1cc(-c2ccccc2)on1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375751942 433550366 /nfs/dbraw/zinc/55/03/66/433550366.db2.gz YUPNWVPEZINMCK-JWTNVVGKSA-N 2 2 311.429 3.399 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000339391254 433552116 /nfs/dbraw/zinc/55/21/16/433552116.db2.gz ACJMTAKDJFTABF-KGLIPLIRSA-N 2 2 322.840 3.420 20 0 DGADLP Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC000301433716 433553547 /nfs/dbraw/zinc/55/35/47/433553547.db2.gz IEBMFWUEZYZHAK-OAHLLOKOSA-N 2 2 300.406 3.244 20 0 DGADLP Clc1cccc(S[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000292331125 433556012 /nfs/dbraw/zinc/55/60/12/433556012.db2.gz GARYNQASITVNDT-OAHLLOKOSA-N 2 2 307.850 3.403 20 0 DGADLP Clc1cccc(S[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000292331125 433556024 /nfs/dbraw/zinc/55/60/24/433556024.db2.gz GARYNQASITVNDT-OAHLLOKOSA-N 2 2 307.850 3.403 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292427628 433565458 /nfs/dbraw/zinc/56/54/58/433565458.db2.gz WYZIMZFCWMDFMZ-LJQANCHMSA-N 2 2 311.429 3.084 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292427628 433565463 /nfs/dbraw/zinc/56/54/63/433565463.db2.gz WYZIMZFCWMDFMZ-LJQANCHMSA-N 2 2 311.429 3.084 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000414360261 433569522 /nfs/dbraw/zinc/56/95/22/433569522.db2.gz QMCWZMHXUKWMEX-WMLDXEAASA-N 2 2 316.474 3.019 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1 ZINC000414360261 433569526 /nfs/dbraw/zinc/56/95/26/433569526.db2.gz QMCWZMHXUKWMEX-WMLDXEAASA-N 2 2 316.474 3.019 20 0 DGADLP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000282339994 433573592 /nfs/dbraw/zinc/57/35/92/433573592.db2.gz VGODMFYUFZCBTM-NVXWUHKLSA-N 2 2 317.408 3.306 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427488 433574653 /nfs/dbraw/zinc/57/46/53/433574653.db2.gz VUKAJSZCACLWKH-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427488 433574661 /nfs/dbraw/zinc/57/46/61/433574661.db2.gz VUKAJSZCACLWKH-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427488 433574668 /nfs/dbraw/zinc/57/46/68/433574668.db2.gz VUKAJSZCACLWKH-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1ccc(Cl)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427488 433574676 /nfs/dbraw/zinc/57/46/76/433574676.db2.gz VUKAJSZCACLWKH-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414368883 433579211 /nfs/dbraw/zinc/57/92/11/433579211.db2.gz SZEQMWBCOHBPCZ-VQIMIIECSA-N 2 2 324.472 3.039 20 0 DGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414368883 433579218 /nfs/dbraw/zinc/57/92/18/433579218.db2.gz SZEQMWBCOHBPCZ-VQIMIIECSA-N 2 2 324.472 3.039 20 0 DGADLP Cc1ccc2[nH+]c(CNc3[nH+]ccn3-c3ccccc3)cn2c1 ZINC000351568769 433582985 /nfs/dbraw/zinc/58/29/85/433582985.db2.gz OQLYNSBQJCASFQ-UHFFFAOYSA-N 2 2 303.369 3.441 20 0 DGADLP CC[NH+](CC)CCN(Cc1cn2ccccc2[nH+]1)CC(C)C ZINC000351644105 433633717 /nfs/dbraw/zinc/63/37/17/433633717.db2.gz NZCHULFXUOEPPY-UHFFFAOYSA-N 2 2 302.466 3.134 20 0 DGADLP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000362310696 433636885 /nfs/dbraw/zinc/63/68/85/433636885.db2.gz VCJSSJPZADWORK-FUHWJXTLSA-N 2 2 321.534 3.271 20 0 DGADLP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000362310696 433636891 /nfs/dbraw/zinc/63/68/91/433636891.db2.gz VCJSSJPZADWORK-FUHWJXTLSA-N 2 2 321.534 3.271 20 0 DGADLP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000351608097 433611689 /nfs/dbraw/zinc/61/16/89/433611689.db2.gz YVYRCPARJKPTGK-CQSZACIVSA-N 2 2 308.470 3.273 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609730 433613325 /nfs/dbraw/zinc/61/33/25/433613325.db2.gz TUGABBIUBKZKJI-PMACEKPBSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)CC1 ZINC000351609730 433613330 /nfs/dbraw/zinc/61/33/30/433613330.db2.gz TUGABBIUBKZKJI-PMACEKPBSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000351609730 433613339 /nfs/dbraw/zinc/61/33/39/433613339.db2.gz TUGABBIUBKZKJI-PMACEKPBSA-N 3 2 321.553 3.305 20 0 DGADLP CC1CC[NH+](C[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000351609730 433613348 /nfs/dbraw/zinc/61/33/48/433613348.db2.gz TUGABBIUBKZKJI-PMACEKPBSA-N 3 2 321.553 3.305 20 0 DGADLP Cc1cc[nH+]c(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000301641681 433654850 /nfs/dbraw/zinc/65/48/50/433654850.db2.gz NNYXAYKSIPQLEF-QGZVFWFLSA-N 2 2 310.445 3.013 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427136962 433656655 /nfs/dbraw/zinc/65/66/55/433656655.db2.gz NMIGOALTANITJG-RHSMWYFYSA-N 2 2 319.880 3.124 20 0 DGADLP Clc1cccc(N2CCCC2)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427136962 433656664 /nfs/dbraw/zinc/65/66/64/433656664.db2.gz NMIGOALTANITJG-RHSMWYFYSA-N 2 2 319.880 3.124 20 0 DGADLP Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301654471 433656884 /nfs/dbraw/zinc/65/68/84/433656884.db2.gz KUQCJOFDEPVZPL-INIZCTEOSA-N 2 2 302.466 3.221 20 0 DGADLP c1csc(-c2ncc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)c1 ZINC000427138200 433661849 /nfs/dbraw/zinc/66/18/49/433661849.db2.gz VUGFLPBHMQZWAG-YPMHNXCESA-N 2 2 305.472 3.055 20 0 DGADLP c1csc(-c2ncc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)s2)c1 ZINC000427138200 433661860 /nfs/dbraw/zinc/66/18/60/433661860.db2.gz VUGFLPBHMQZWAG-YPMHNXCESA-N 2 2 305.472 3.055 20 0 DGADLP Cc1cccc([C@H](CNc2cc(C)cc[nH+]2)[NH+]2CCOCC2)c1 ZINC000301664641 433665100 /nfs/dbraw/zinc/66/51/00/433665100.db2.gz ZIKNJACUWDXLHJ-SFHVURJKSA-N 2 2 311.429 3.184 20 0 DGADLP COc1cc2c(cc1Cl)C[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000293239589 433668874 /nfs/dbraw/zinc/66/88/74/433668874.db2.gz SQGQCSPUPQPYDD-UHFFFAOYSA-N 2 2 319.836 3.302 20 0 DGADLP COc1cc2c(cc1Cl)C[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000293239589 433668883 /nfs/dbraw/zinc/66/88/83/433668883.db2.gz SQGQCSPUPQPYDD-UHFFFAOYSA-N 2 2 319.836 3.302 20 0 DGADLP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(C2CCCC2)n1 ZINC000449029816 433686687 /nfs/dbraw/zinc/68/66/87/433686687.db2.gz PSKIURSKAOIIJY-QGZVFWFLSA-N 2 2 316.493 3.449 20 0 DGADLP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(C2CCCC2)n1 ZINC000449029816 433686696 /nfs/dbraw/zinc/68/66/96/433686696.db2.gz PSKIURSKAOIIJY-QGZVFWFLSA-N 2 2 316.493 3.449 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCOC1 ZINC000356773464 433690640 /nfs/dbraw/zinc/69/06/40/433690640.db2.gz CPUCFQMAMZLRPT-PBWTXFEYSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCOC1 ZINC000356773464 433690650 /nfs/dbraw/zinc/69/06/50/433690650.db2.gz CPUCFQMAMZLRPT-PBWTXFEYSA-N 2 2 302.462 3.227 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381389 433649821 /nfs/dbraw/zinc/64/98/21/433649821.db2.gz XLRKHYWZJADVBA-OCCSQVGLSA-N 2 2 305.397 3.272 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381389 433649832 /nfs/dbraw/zinc/64/98/32/433649832.db2.gz XLRKHYWZJADVBA-OCCSQVGLSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381389 433649840 /nfs/dbraw/zinc/64/98/40/433649840.db2.gz XLRKHYWZJADVBA-OCCSQVGLSA-N 2 2 305.397 3.272 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342381389 433649848 /nfs/dbraw/zinc/64/98/48/433649848.db2.gz XLRKHYWZJADVBA-OCCSQVGLSA-N 2 2 305.397 3.272 20 0 DGADLP CC(C)O[C@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000293195759 433649870 /nfs/dbraw/zinc/64/98/70/433649870.db2.gz OQYUYKXEVPSURM-GOSISDBHSA-N 2 2 301.434 3.371 20 0 DGADLP CC(C)O[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000293195759 433649882 /nfs/dbraw/zinc/64/98/82/433649882.db2.gz OQYUYKXEVPSURM-GOSISDBHSA-N 2 2 301.434 3.371 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427101492 433651062 /nfs/dbraw/zinc/65/10/62/433651062.db2.gz QXJDNMQDTZAUQR-MJGOQNOKSA-N 2 2 322.456 3.033 20 0 DGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427101492 433651075 /nfs/dbraw/zinc/65/10/75/433651075.db2.gz QXJDNMQDTZAUQR-MJGOQNOKSA-N 2 2 322.456 3.033 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366962336 293008569 /nfs/dbraw/zinc/00/85/69/293008569.db2.gz ZEHBTTXRSKLZJS-KRWDZBQOSA-N 2 2 304.482 3.080 20 0 DGADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366962336 293008571 /nfs/dbraw/zinc/00/85/71/293008571.db2.gz ZEHBTTXRSKLZJS-KRWDZBQOSA-N 2 2 304.482 3.080 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000376046759 433652085 /nfs/dbraw/zinc/65/20/85/433652085.db2.gz RGCBIKKRARXJQQ-KBAYOESNSA-N 2 2 322.880 3.332 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000376046759 433652092 /nfs/dbraw/zinc/65/20/92/433652092.db2.gz RGCBIKKRARXJQQ-KBAYOESNSA-N 2 2 322.880 3.332 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000356788953 433696323 /nfs/dbraw/zinc/69/63/23/433696323.db2.gz WOJUQGFAZWJSPG-UHOSZYNNSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000356788953 433696332 /nfs/dbraw/zinc/69/63/32/433696332.db2.gz WOJUQGFAZWJSPG-UHOSZYNNSA-N 2 2 302.462 3.056 20 0 DGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+](C)C)cc1 ZINC000367079345 293022405 /nfs/dbraw/zinc/02/24/05/293022405.db2.gz GAGVXKWEGIYHIR-ZWKOTPCHSA-N 2 2 302.462 3.147 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000356788952 433697182 /nfs/dbraw/zinc/69/71/82/433697182.db2.gz WOJUQGFAZWJSPG-QXAKKESOSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000356788952 433697192 /nfs/dbraw/zinc/69/71/92/433697192.db2.gz WOJUQGFAZWJSPG-QXAKKESOSA-N 2 2 302.462 3.056 20 0 DGADLP c1csc([C@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+]2CCCC2)c1 ZINC000367259923 293044845 /nfs/dbraw/zinc/04/48/45/293044845.db2.gz LCHGLYPIIWMUOW-DOTOQJQBSA-N 2 2 320.502 3.434 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367357624 293060711 /nfs/dbraw/zinc/06/07/11/293060711.db2.gz XRWCNJZKNLLRQF-LJQANCHMSA-N 2 2 314.404 3.055 20 0 DGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367357624 293060713 /nfs/dbraw/zinc/06/07/13/293060713.db2.gz XRWCNJZKNLLRQF-LJQANCHMSA-N 2 2 314.404 3.055 20 0 DGADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000367438664 293072361 /nfs/dbraw/zinc/07/23/61/293072361.db2.gz OODPFPCLAHUQIJ-LLVKDONJSA-N 2 2 304.463 3.398 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449039275 433695574 /nfs/dbraw/zinc/69/55/74/433695574.db2.gz YXTXMPIRKIYNKV-INIZCTEOSA-N 2 2 304.482 3.162 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2C2CCCC2)C1 ZINC000449039275 433695582 /nfs/dbraw/zinc/69/55/82/433695582.db2.gz YXTXMPIRKIYNKV-INIZCTEOSA-N 2 2 304.482 3.162 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449039275 433695585 /nfs/dbraw/zinc/69/55/85/433695585.db2.gz YXTXMPIRKIYNKV-INIZCTEOSA-N 2 2 304.482 3.162 20 0 DGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449039275 433695593 /nfs/dbraw/zinc/69/55/93/433695593.db2.gz YXTXMPIRKIYNKV-INIZCTEOSA-N 2 2 304.482 3.162 20 0 DGADLP Clc1nccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1Cl ZINC000368126655 293096444 /nfs/dbraw/zinc/09/64/44/293096444.db2.gz TZRCFIGPDPEKPZ-UHFFFAOYSA-N 2 2 311.216 3.211 20 0 DGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498799 293127821 /nfs/dbraw/zinc/12/78/21/293127821.db2.gz KPQPCKSKAJXZDI-WOJBJXKFSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498799 293127823 /nfs/dbraw/zinc/12/78/23/293127823.db2.gz KPQPCKSKAJXZDI-WOJBJXKFSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498799 293127824 /nfs/dbraw/zinc/12/78/24/293127824.db2.gz KPQPCKSKAJXZDI-WOJBJXKFSA-N 2 2 314.473 3.152 20 0 DGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@@H]3C3CC3)C2)cc1 ZINC000368498799 293127825 /nfs/dbraw/zinc/12/78/25/293127825.db2.gz KPQPCKSKAJXZDI-WOJBJXKFSA-N 2 2 314.473 3.152 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000370063893 293153147 /nfs/dbraw/zinc/15/31/47/293153147.db2.gz SUEROHRKMWCXHT-HNNXBMFYSA-N 2 2 322.412 3.054 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000370063893 293153148 /nfs/dbraw/zinc/15/31/48/293153148.db2.gz SUEROHRKMWCXHT-HNNXBMFYSA-N 2 2 322.412 3.054 20 0 DGADLP Brc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370261940 293166514 /nfs/dbraw/zinc/16/65/14/293166514.db2.gz OYLJMEDUTDNOCU-UHFFFAOYSA-N 2 2 320.234 3.272 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000372055354 293226826 /nfs/dbraw/zinc/22/68/26/293226826.db2.gz BJFUSRCSHRNOJY-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000372055354 293226827 /nfs/dbraw/zinc/22/68/27/293226827.db2.gz BJFUSRCSHRNOJY-IEBWSBKVSA-N 2 2 316.489 3.182 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000372298938 293231484 /nfs/dbraw/zinc/23/14/84/293231484.db2.gz UHACPYDTWWQMPH-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000372298938 293231488 /nfs/dbraw/zinc/23/14/88/293231488.db2.gz UHACPYDTWWQMPH-HNNXBMFYSA-N 2 2 308.385 3.065 20 0 DGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)nn1C ZINC000339660527 433709384 /nfs/dbraw/zinc/70/93/84/433709384.db2.gz HINSIDUBOYDIRU-QGZVFWFLSA-N 2 2 323.444 3.051 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371669 293239786 /nfs/dbraw/zinc/23/97/86/293239786.db2.gz YCKUWOHXWKUNPQ-QAPCUYQASA-N 2 2 312.461 3.124 20 0 DGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnn(C)c1 ZINC000372371669 293239790 /nfs/dbraw/zinc/23/97/90/293239790.db2.gz YCKUWOHXWKUNPQ-QAPCUYQASA-N 2 2 312.461 3.124 20 0 DGADLP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)nn1C ZINC000339660527 433709390 /nfs/dbraw/zinc/70/93/90/433709390.db2.gz HINSIDUBOYDIRU-QGZVFWFLSA-N 2 2 323.444 3.051 20 0 DGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373364868 293265702 /nfs/dbraw/zinc/26/57/02/293265702.db2.gz LCPFSWRIJQWJJH-KXBFYZLASA-N 2 2 313.445 3.128 20 0 DGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373364865 293265906 /nfs/dbraw/zinc/26/59/06/293265906.db2.gz LCPFSWRIJQWJJH-BEFAXECRSA-N 2 2 313.445 3.128 20 0 DGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000373639890 293300571 /nfs/dbraw/zinc/30/05/71/293300571.db2.gz OTBWSHUPKKJDPJ-CQSZACIVSA-N 2 2 322.412 3.279 20 0 DGADLP Fc1cncc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)c1 ZINC000374230863 293369437 /nfs/dbraw/zinc/36/94/37/293369437.db2.gz ODMFCRPYHOWDGM-SFHVURJKSA-N 2 2 314.408 3.037 20 0 DGADLP Cc1sccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000293363685 433713672 /nfs/dbraw/zinc/71/36/72/433713672.db2.gz UTWGTUCAAALBEA-MRXNPFEDSA-N 2 2 316.474 3.204 20 0 DGADLP Nc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)[nH+]c2ccccc12 ZINC000301814245 433737836 /nfs/dbraw/zinc/73/78/36/433737836.db2.gz IDFOSJOWMWVYFY-UHFFFAOYSA-N 2 2 316.368 3.010 20 0 DGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccncc1Cl ZINC000421821741 433745674 /nfs/dbraw/zinc/74/56/74/433745674.db2.gz TVJZFNZSNNXQFK-LBPRGKRZSA-N 2 2 300.793 3.276 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862516 433758773 /nfs/dbraw/zinc/75/87/73/433758773.db2.gz PUNNYKRUAVBXEN-AAEUAGOBSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000351862516 433758784 /nfs/dbraw/zinc/75/87/84/433758784.db2.gz PUNNYKRUAVBXEN-AAEUAGOBSA-N 2 2 305.422 3.118 20 0 DGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000342792012 433759025 /nfs/dbraw/zinc/75/90/25/433759025.db2.gz GDCPTDGFPIBVNH-DOTOQJQBSA-N 2 2 324.509 3.208 20 0 DGADLP C[N@H+](CCCNc1nc(N)c2ccccc2[nH+]1)C1CCCCC1 ZINC000301866077 433766010 /nfs/dbraw/zinc/76/60/10/433766010.db2.gz HGOILEONFTZIEO-UHFFFAOYSA-N 2 2 313.449 3.279 20 0 DGADLP C[N@@H+](CCCNc1nc(N)c2ccccc2[nH+]1)C1CCCCC1 ZINC000301866077 433766022 /nfs/dbraw/zinc/76/60/22/433766022.db2.gz HGOILEONFTZIEO-UHFFFAOYSA-N 2 2 313.449 3.279 20 0 DGADLP Cc1cc(Br)c(C[N@@H+](C)C2CC[NH2+]CC2)s1 ZINC000414655776 433771065 /nfs/dbraw/zinc/77/10/65/433771065.db2.gz MAMQXZGOOIKXAV-UHFFFAOYSA-N 2 2 303.269 3.003 20 0 DGADLP Cc1cc(Br)c(C[N@H+](C)C2CC[NH2+]CC2)s1 ZINC000414655776 433771073 /nfs/dbraw/zinc/77/10/73/433771073.db2.gz MAMQXZGOOIKXAV-UHFFFAOYSA-N 2 2 303.269 3.003 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000376578647 433781607 /nfs/dbraw/zinc/78/16/07/433781607.db2.gz CLUNTVIPWNHUBD-HNNXBMFYSA-N 2 2 315.421 3.069 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000376578647 433781613 /nfs/dbraw/zinc/78/16/13/433781613.db2.gz CLUNTVIPWNHUBD-HNNXBMFYSA-N 2 2 315.421 3.069 20 0 DGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421864001 433783760 /nfs/dbraw/zinc/78/37/60/433783760.db2.gz ZDFARKRMQUMSBM-KRWDZBQOSA-N 2 2 301.478 3.041 20 0 DGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421864001 433783772 /nfs/dbraw/zinc/78/37/72/433783772.db2.gz ZDFARKRMQUMSBM-KRWDZBQOSA-N 2 2 301.478 3.041 20 0 DGADLP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673777 433784958 /nfs/dbraw/zinc/78/49/58/433784958.db2.gz CRDKVOGSSUSZBR-YOEHRIQHSA-N 2 2 306.450 3.214 20 0 DGADLP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(C)C)c(OC)c1 ZINC000414673777 433784964 /nfs/dbraw/zinc/78/49/64/433784964.db2.gz CRDKVOGSSUSZBR-YOEHRIQHSA-N 2 2 306.450 3.214 20 0 DGADLP Cc1cc(NC(=O)C[N@@H+](C)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000356981571 433795213 /nfs/dbraw/zinc/79/52/13/433795213.db2.gz UITBEDPCCSNTGD-HNNXBMFYSA-N 2 2 318.465 3.048 20 0 DGADLP Cc1cc(NC(=O)C[N@H+](C)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000356981571 433795224 /nfs/dbraw/zinc/79/52/24/433795224.db2.gz UITBEDPCCSNTGD-HNNXBMFYSA-N 2 2 318.465 3.048 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000351935908 433802884 /nfs/dbraw/zinc/80/28/84/433802884.db2.gz JJVCXSSQCSQXDD-INIZCTEOSA-N 2 2 316.449 3.084 20 0 DGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000351935908 433802892 /nfs/dbraw/zinc/80/28/92/433802892.db2.gz JJVCXSSQCSQXDD-INIZCTEOSA-N 2 2 316.449 3.084 20 0 DGADLP CC[N@H+](CC[NH2+]C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000414712367 433804020 /nfs/dbraw/zinc/80/40/20/433804020.db2.gz UBHJEZGONFLMOE-UHFFFAOYSA-N 3 2 318.509 3.008 20 0 DGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000414712367 433804027 /nfs/dbraw/zinc/80/40/27/433804027.db2.gz UBHJEZGONFLMOE-UHFFFAOYSA-N 3 2 318.509 3.008 20 0 DGADLP CC1(C)Cc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)ccc2O1 ZINC000376727385 433805911 /nfs/dbraw/zinc/80/59/11/433805911.db2.gz DOQJNRPPDIJHQL-UHFFFAOYSA-N 2 2 311.429 3.223 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000343511332 433810878 /nfs/dbraw/zinc/81/08/78/433810878.db2.gz NOGSAJQRTGAYOV-FRQCXROJSA-N 2 2 302.462 3.181 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000343511332 433810885 /nfs/dbraw/zinc/81/08/85/433810885.db2.gz NOGSAJQRTGAYOV-FRQCXROJSA-N 2 2 302.462 3.181 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000351946418 433812982 /nfs/dbraw/zinc/81/29/82/433812982.db2.gz BOVLLIFBKATZTC-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000351946418 433812986 /nfs/dbraw/zinc/81/29/86/433812986.db2.gz BOVLLIFBKATZTC-HKUYNNGSSA-N 2 2 316.489 3.039 20 0 DGADLP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000284090771 433832457 /nfs/dbraw/zinc/83/24/57/433832457.db2.gz BLZLLNKJDPKSHM-GFCCVEGCSA-N 2 2 323.868 3.411 20 0 DGADLP C[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414783089 433834157 /nfs/dbraw/zinc/83/41/57/433834157.db2.gz GBPLLIGYPRLLCS-IVMMDQJWSA-N 2 2 312.379 3.493 20 0 DGADLP C[C@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414783089 433834168 /nfs/dbraw/zinc/83/41/68/433834168.db2.gz GBPLLIGYPRLLCS-IVMMDQJWSA-N 2 2 312.379 3.493 20 0 DGADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414803290 433842836 /nfs/dbraw/zinc/84/28/36/433842836.db2.gz NNZNEMBCRHVMNM-MAUKXSAKSA-N 3 2 321.896 3.021 20 0 DGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)C[NH+](C)C ZINC000293734253 433844773 /nfs/dbraw/zinc/84/47/73/433844773.db2.gz QGOGKFBPRKMQGH-KSSFIOAISA-N 2 2 301.409 3.097 20 0 DGADLP Clc1ccc(-c2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)on2)cc1 ZINC000357087328 433855914 /nfs/dbraw/zinc/85/59/14/433855914.db2.gz MWSNFYUWHOFNJT-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)on2)cc1 ZINC000357087328 433855924 /nfs/dbraw/zinc/85/59/24/433855924.db2.gz MWSNFYUWHOFNJT-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC000414820384 433856968 /nfs/dbraw/zinc/85/69/68/433856968.db2.gz AQRVSHYKJTYGEU-INIZCTEOSA-N 2 2 318.490 3.122 20 0 DGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000414820277 433860004 /nfs/dbraw/zinc/86/00/04/433860004.db2.gz BWXVCFQUJZAYQV-UHFFFAOYSA-N 2 2 319.246 3.425 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000344303709 433861558 /nfs/dbraw/zinc/86/15/58/433861558.db2.gz VZAXFQFLUQKIQL-VBNZEHGJSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000344303709 433861573 /nfs/dbraw/zinc/86/15/73/433861573.db2.gz VZAXFQFLUQKIQL-VBNZEHGJSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000344303708 433863420 /nfs/dbraw/zinc/86/34/20/433863420.db2.gz VZAXFQFLUQKIQL-RCBQFDQVSA-N 2 2 308.853 3.484 20 0 DGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000344303708 433863426 /nfs/dbraw/zinc/86/34/26/433863426.db2.gz VZAXFQFLUQKIQL-RCBQFDQVSA-N 2 2 308.853 3.484 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000414821200 433864599 /nfs/dbraw/zinc/86/45/99/433864599.db2.gz BZLNTXUWSFGFIA-GOSISDBHSA-N 2 2 322.456 3.486 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782595 433865697 /nfs/dbraw/zinc/86/56/97/433865697.db2.gz ZJDRTDLDJNXQDH-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782595 433865707 /nfs/dbraw/zinc/86/57/07/433865707.db2.gz ZJDRTDLDJNXQDH-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782595 433865710 /nfs/dbraw/zinc/86/57/10/433865710.db2.gz ZJDRTDLDJNXQDH-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)C1 ZINC000293782595 433865720 /nfs/dbraw/zinc/86/57/20/433865720.db2.gz ZJDRTDLDJNXQDH-QGZVFWFLSA-N 2 2 317.458 3.321 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357101841 433866607 /nfs/dbraw/zinc/86/66/07/433866607.db2.gz FEALVQAGFJJIST-IRXDYDNUSA-N 2 2 324.472 3.037 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357101841 433866614 /nfs/dbraw/zinc/86/66/14/433866614.db2.gz FEALVQAGFJJIST-IRXDYDNUSA-N 2 2 324.472 3.037 20 0 DGADLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(OC(F)F)c1 ZINC000414828009 433869666 /nfs/dbraw/zinc/86/96/66/433869666.db2.gz IEWKCOUJZXMHMX-HNNXBMFYSA-N 2 2 322.355 3.086 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832266 433869732 /nfs/dbraw/zinc/86/97/32/433869732.db2.gz OHAHCDZFQZHSLB-NVXWUHKLSA-N 2 2 311.429 3.002 20 0 DGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000293799817 433870446 /nfs/dbraw/zinc/87/04/46/433870446.db2.gz BWCDLLFXZYDEAP-MRXNPFEDSA-N 2 2 321.424 3.358 20 0 DGADLP COCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000345146543 433898701 /nfs/dbraw/zinc/89/87/01/433898701.db2.gz BFWUFDZCUAGQCG-HKUYNNGSSA-N 2 2 304.478 3.474 20 0 DGADLP Fc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414950953 433935305 /nfs/dbraw/zinc/93/53/05/433935305.db2.gz PGHKBXFVDJDDAO-MAUKXSAKSA-N 2 2 320.358 3.339 20 0 DGADLP COc1cccc2c(N3CC[C@H]4CC[N@H+](C)C[C@H]43)cc(C)[nH+]c12 ZINC000352090172 433903425 /nfs/dbraw/zinc/90/34/25/433903425.db2.gz WKXXZSSZOAUEOA-RHSMWYFYSA-N 2 2 311.429 3.082 20 0 DGADLP COc1cccc2c(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc(C)[nH+]c12 ZINC000352090172 433903431 /nfs/dbraw/zinc/90/34/31/433903431.db2.gz WKXXZSSZOAUEOA-RHSMWYFYSA-N 2 2 311.429 3.082 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000414896356 433905141 /nfs/dbraw/zinc/90/51/41/433905141.db2.gz OSDWOYBRNRTAHK-RTBURBONSA-N 2 2 314.404 3.070 20 0 DGADLP C[C@@]1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCC[NH2+]C1 ZINC000414905823 433910874 /nfs/dbraw/zinc/91/08/74/433910874.db2.gz OZBWPIUWTCWHLL-QGZVFWFLSA-N 2 2 301.459 3.289 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000414938193 433924833 /nfs/dbraw/zinc/92/48/33/433924833.db2.gz DYNHNFKJGXRJTN-HOCLYGCPSA-N 2 2 306.450 3.104 20 0 DGADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000414936135 433924953 /nfs/dbraw/zinc/92/49/53/433924953.db2.gz ZAEOKWBEIGAPOI-KBPBESRZSA-N 2 2 317.458 3.082 20 0 DGADLP CCCCOc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000414938194 433926390 /nfs/dbraw/zinc/92/63/90/433926390.db2.gz DYNHNFKJGXRJTN-ZBFHGGJFSA-N 2 2 306.450 3.104 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)C[C@@H]3CCC[C@@H]3[NH3+])cc2[nH+]1 ZINC000340118076 433928425 /nfs/dbraw/zinc/92/84/25/433928425.db2.gz ASHJQNURTTZWDL-JSGCOSHPSA-N 2 2 314.433 3.362 20 0 DGADLP COC(=O)C(C)(C)CC[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414948984 433929954 /nfs/dbraw/zinc/92/99/54/433929954.db2.gz ZDYGPJKYZCWACS-KRWDZBQOSA-N 2 2 314.429 3.019 20 0 DGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])cc2[nH+]1 ZINC000340120154 433932240 /nfs/dbraw/zinc/93/22/40/433932240.db2.gz HIYUBAUHKTXIOK-GXTWGEPZSA-N 2 2 314.433 3.219 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCCCC1 ZINC000414848022 433879878 /nfs/dbraw/zinc/87/98/78/433879878.db2.gz VOYBBLAQCAIGBB-UHFFFAOYSA-N 2 2 318.852 3.277 20 0 DGADLP C[NH+](C)Cc1cnc(CNc2ccc3c(c2)CCC[NH2+]3)s1 ZINC000414854044 433881386 /nfs/dbraw/zinc/88/13/86/433881386.db2.gz SYUDJELPEZBQTE-UHFFFAOYSA-N 2 2 302.447 3.175 20 0 DGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000414851475 433884289 /nfs/dbraw/zinc/88/42/89/433884289.db2.gz OWNNNGCMJONDOB-QGZVFWFLSA-N 2 2 314.477 3.459 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414861994 433890320 /nfs/dbraw/zinc/89/03/20/433890320.db2.gz XCSYKIIRCADVRQ-DZGCQCFKSA-N 2 2 301.459 3.288 20 0 DGADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414866533 433891156 /nfs/dbraw/zinc/89/11/56/433891156.db2.gz FJYXGWKSSLXGMJ-HNNXBMFYSA-N 2 2 324.453 3.052 20 0 DGADLP C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414862299 433892767 /nfs/dbraw/zinc/89/27/67/433892767.db2.gz XEIJFCGMLWSCCE-NWDGAFQWSA-N 2 2 307.488 3.349 20 0 DGADLP [NH3+]C1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCC1 ZINC000414870670 433894348 /nfs/dbraw/zinc/89/43/48/433894348.db2.gz CCVYKAMYBVAFBE-UHFFFAOYSA-N 2 2 309.660 3.135 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cn2c1 ZINC000422718164 433946928 /nfs/dbraw/zinc/94/69/28/433946928.db2.gz PFSYYPBBNATNSP-MJGOQNOKSA-N 2 2 320.440 3.226 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)cn2c1 ZINC000422720820 433950314 /nfs/dbraw/zinc/95/03/14/433950314.db2.gz TYGKJOFPVLGPMI-JKSUJKDBSA-N 2 2 300.450 3.043 20 0 DGADLP Cc1ccc2nc(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)cn2c1 ZINC000422720817 433950853 /nfs/dbraw/zinc/95/08/53/433950853.db2.gz TYGKJOFPVLGPMI-CVEARBPZSA-N 2 2 300.450 3.043 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000414980010 433953044 /nfs/dbraw/zinc/95/30/44/433953044.db2.gz VYXINEMPLALACE-ZDUSSCGKSA-N 2 2 315.230 3.066 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377684523 433955303 /nfs/dbraw/zinc/95/53/03/433955303.db2.gz XDQWMOXQUASXIR-FQEVSTJZSA-N 3 2 323.484 3.434 20 0 DGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377684523 433955308 /nfs/dbraw/zinc/95/53/08/433955308.db2.gz XDQWMOXQUASXIR-FQEVSTJZSA-N 3 2 323.484 3.434 20 0 DGADLP C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422727562 433955781 /nfs/dbraw/zinc/95/57/81/433955781.db2.gz CZCAJKVXWHMSSJ-TZMCWYRMSA-N 2 2 316.367 3.248 20 0 DGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](CC[NH3+])C(F)F ZINC000414986791 433958726 /nfs/dbraw/zinc/95/87/26/433958726.db2.gz HTFHHWUHKLBOQD-SKDRFNHKSA-N 2 2 310.310 3.209 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340177121 433959155 /nfs/dbraw/zinc/95/91/55/433959155.db2.gz LLTLKUYPDCGSOR-OALUTQOASA-N 2 2 324.472 3.073 20 0 DGADLP CN(C)c1ncccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340177121 433959161 /nfs/dbraw/zinc/95/91/61/433959161.db2.gz LLTLKUYPDCGSOR-OALUTQOASA-N 2 2 324.472 3.073 20 0 DGADLP COc1ccncc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000294002717 433960022 /nfs/dbraw/zinc/96/00/22/433960022.db2.gz CSJLSMCWUWIXFE-QAPCUYQASA-N 2 2 317.477 3.223 20 0 DGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC1(C)C)c1cccc(OC)c1 ZINC000340180082 433965016 /nfs/dbraw/zinc/96/50/16/433965016.db2.gz BEJBAGSNEWWAJH-ROUUACIJSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422745283 433965381 /nfs/dbraw/zinc/96/53/81/433965381.db2.gz LUCGFEMHSSWWLK-YVWKXTFCSA-N 3 2 315.505 3.319 20 0 DGADLP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000422741439 433965644 /nfs/dbraw/zinc/96/56/44/433965644.db2.gz DPKPGQTUQSFYAI-RLFYNMQTSA-N 2 2 323.912 3.311 20 0 DGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415039078 433970755 /nfs/dbraw/zinc/97/07/55/433970755.db2.gz ISFVWRXNSSEPDN-UKRRQHHQSA-N 2 2 307.507 3.405 20 0 DGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415039078 433970767 /nfs/dbraw/zinc/97/07/67/433970767.db2.gz ISFVWRXNSSEPDN-UKRRQHHQSA-N 2 2 307.507 3.405 20 0 DGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000415065551 433976549 /nfs/dbraw/zinc/97/65/49/433976549.db2.gz NAPHYGXKTKMOSK-BEFAXECRSA-N 2 2 314.477 3.247 20 0 DGADLP CN(CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422757567 433976899 /nfs/dbraw/zinc/97/68/99/433976899.db2.gz JRFZESSHLPEKPW-SFTDATJTSA-N 2 2 323.484 3.201 20 0 DGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCC1)c1ccccc1 ZINC000422760690 433977507 /nfs/dbraw/zinc/97/75/07/433977507.db2.gz LDNMDCBBYDPSAV-UHOSZYNNSA-N 3 2 315.505 3.367 20 0 DGADLP C[NH2+]CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000415126614 433979387 /nfs/dbraw/zinc/97/93/87/433979387.db2.gz PTFUFZBMDNGZDF-UHFFFAOYSA-N 2 2 314.477 3.211 20 0 DGADLP C[NH2+]CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000415126614 433979398 /nfs/dbraw/zinc/97/93/98/433979398.db2.gz PTFUFZBMDNGZDF-UHFFFAOYSA-N 2 2 314.477 3.211 20 0 DGADLP Cc1cc(C)c(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)[nH+]1 ZINC000436494827 433982100 /nfs/dbraw/zinc/98/21/00/433982100.db2.gz OFHGCEPFOZPGBK-CQSZACIVSA-N 2 2 316.405 3.024 20 0 DGADLP CC(C)c1ccc(CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422764229 433983905 /nfs/dbraw/zinc/98/39/05/433983905.db2.gz PPNDISALYRLYQX-WOJBJXKFSA-N 2 2 316.489 3.099 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436493018 433986101 /nfs/dbraw/zinc/98/61/01/433986101.db2.gz KQWDOUTXTGXMID-CVEARBPZSA-N 2 2 316.449 3.097 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436493018 433986115 /nfs/dbraw/zinc/98/61/15/433986115.db2.gz KQWDOUTXTGXMID-CVEARBPZSA-N 2 2 316.449 3.097 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1F ZINC000340216936 433988438 /nfs/dbraw/zinc/98/84/38/433988438.db2.gz GNLIXUGUGHDVLA-QWHCGFSZSA-N 2 2 316.424 3.380 20 0 DGADLP CCc1cnc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422782213 433991850 /nfs/dbraw/zinc/99/18/50/433991850.db2.gz FYXXFIRGCFCPOO-GOEBONIOSA-N 2 2 301.459 3.288 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422698273 433937187 /nfs/dbraw/zinc/93/71/87/433937187.db2.gz YLCIWVXHXABJTA-LPHOPBHVSA-N 3 2 303.494 3.149 20 0 DGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000422706499 433939101 /nfs/dbraw/zinc/93/91/01/433939101.db2.gz UMAUZXNSIRAEKL-IAGOWNOFSA-N 2 2 310.397 3.082 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000422706500 433940096 /nfs/dbraw/zinc/94/00/96/433940096.db2.gz UMAUZXNSIRAEKL-IRXDYDNUSA-N 2 2 310.397 3.082 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1c[nH+]ccc1N ZINC000422793162 434006777 /nfs/dbraw/zinc/00/67/77/434006777.db2.gz RUEYDKSTQOTUAK-MRXNPFEDSA-N 3 2 324.472 3.331 20 0 DGADLP CC1CC[NH+]([C@@H](C[NH2+]CC2(C)COC2)c2cccs2)CC1 ZINC000352256231 434009292 /nfs/dbraw/zinc/00/92/92/434009292.db2.gz HOLGSGZFJCLOBZ-HNNXBMFYSA-N 2 2 308.491 3.147 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422799502 434011199 /nfs/dbraw/zinc/01/11/99/434011199.db2.gz XBDXEXPZZZSUSO-WCQYABFASA-N 2 2 302.340 3.205 20 0 DGADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000422802340 434014560 /nfs/dbraw/zinc/01/45/60/434014560.db2.gz BFGJDEMCZBKGNP-LZWOXQAQSA-N 2 2 306.450 3.274 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)C[C@@H]1c1ccccc1 ZINC000340262936 434023315 /nfs/dbraw/zinc/02/33/15/434023315.db2.gz ZARBMWGNWSGIQB-OYNPSCLESA-N 2 2 322.452 3.070 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)C[C@@H]1c1ccccc1 ZINC000340262936 434023325 /nfs/dbraw/zinc/02/33/25/434023325.db2.gz ZARBMWGNWSGIQB-OYNPSCLESA-N 2 2 322.452 3.070 20 0 DGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C[C@H]1c1ccccc1 ZINC000340262937 434023444 /nfs/dbraw/zinc/02/34/44/434023444.db2.gz ZARBMWGNWSGIQB-ZIBCJSCZSA-N 2 2 322.452 3.070 20 0 DGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)C[C@H]1c1ccccc1 ZINC000340262937 434023456 /nfs/dbraw/zinc/02/34/56/434023456.db2.gz ZARBMWGNWSGIQB-ZIBCJSCZSA-N 2 2 322.452 3.070 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422815592 434026399 /nfs/dbraw/zinc/02/63/99/434026399.db2.gz CAFYQCROJMGJIH-NMLBUPMWSA-N 3 2 321.553 3.397 20 0 DGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(F)(F)F)cs1 ZINC000422814969 434027336 /nfs/dbraw/zinc/02/73/36/434027336.db2.gz WRFUUQXLSKIXBN-KJLIAQIISA-N 2 2 319.396 3.486 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]1 ZINC000422826140 434029851 /nfs/dbraw/zinc/02/98/51/434029851.db2.gz KYUBIYNIMNGORI-YJBOKZPZSA-N 2 2 320.440 3.256 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422827162 434031595 /nfs/dbraw/zinc/03/15/95/434031595.db2.gz MQQTTYPSQKEBBA-LYRGGWFBSA-N 2 2 310.388 3.253 20 0 DGADLP FC(F)(F)c1cnc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)s1 ZINC000377921085 434035904 /nfs/dbraw/zinc/03/59/04/434035904.db2.gz VCEWYEMEHJSJQR-VIFPVBQESA-N 2 2 316.352 3.026 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833374 434036014 /nfs/dbraw/zinc/03/60/14/434036014.db2.gz GPWMQGHDDJOIRK-FRFSOERESA-N 2 2 307.869 3.039 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000422860031 434062726 /nfs/dbraw/zinc/06/27/26/434062726.db2.gz KYIIZXZNYXFBAF-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000422860031 434062728 /nfs/dbraw/zinc/06/27/28/434062728.db2.gz KYIIZXZNYXFBAF-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP CC[C@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422871342 434067402 /nfs/dbraw/zinc/06/74/02/434067402.db2.gz ZWDSABGICYLOKQ-QWRGUYRKSA-N 2 2 303.269 3.131 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OCC2CC2)c(F)c1 ZINC000422878597 434075262 /nfs/dbraw/zinc/07/52/62/434075262.db2.gz TXZJONOSIJSKLH-GDZNZVCISA-N 2 2 306.425 3.406 20 0 DGADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423204813 293915277 /nfs/dbraw/zinc/91/52/77/293915277.db2.gz OQLGAJSRUMJCIY-NOZJJQNGSA-N 2 2 315.642 3.041 20 0 DGADLP CSC1(CNc2cc(C(F)(F)F)cc[nH+]2)CC[NH+](C)CC1 ZINC000357561713 434080014 /nfs/dbraw/zinc/08/00/14/434080014.db2.gz WQLUGYMGIWMDES-UHFFFAOYSA-N 2 2 319.396 3.340 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882942 434081831 /nfs/dbraw/zinc/08/18/31/434081831.db2.gz PPTOKNPDUBRFJK-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422882942 434081833 /nfs/dbraw/zinc/08/18/33/434081833.db2.gz PPTOKNPDUBRFJK-UWVAXJGDSA-N 3 2 315.505 3.149 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(OC)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422884187 434081936 /nfs/dbraw/zinc/08/19/36/434081936.db2.gz WLXZHKFQRUZQOS-CABCVRRESA-N 2 2 316.367 3.334 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c(OC(F)F)c1 ZINC000422891316 434086925 /nfs/dbraw/zinc/08/69/25/434086925.db2.gz VDWISWXFIKPKGG-KBPBESRZSA-N 2 2 314.376 3.046 20 0 DGADLP [NH3+][C@@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000346059258 434090479 /nfs/dbraw/zinc/09/04/79/434090479.db2.gz DIMYNIQODXLYNL-LJQANCHMSA-N 2 2 310.441 3.216 20 0 DGADLP [NH3+][C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000346059258 434090494 /nfs/dbraw/zinc/09/04/94/434090494.db2.gz DIMYNIQODXLYNL-LJQANCHMSA-N 2 2 310.441 3.216 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)c2ccccc21 ZINC000422902230 434097713 /nfs/dbraw/zinc/09/77/13/434097713.db2.gz UGTNARNYICSABH-RBUKOAKNSA-N 2 2 322.456 3.306 20 0 DGADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422849716 434052748 /nfs/dbraw/zinc/05/27/48/434052748.db2.gz CJCIMYAFMCGDID-OCCSQVGLSA-N 2 2 316.367 3.166 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852773 434057383 /nfs/dbraw/zinc/05/73/83/434057383.db2.gz BHHAEZAHFQKGBN-QKLQHJQFSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422852773 434057394 /nfs/dbraw/zinc/05/73/94/434057394.db2.gz BHHAEZAHFQKGBN-QKLQHJQFSA-N 3 2 315.505 3.291 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422862035 434060302 /nfs/dbraw/zinc/06/03/02/434060302.db2.gz NETSWBJDYPLUKP-DYVFJYSZSA-N 2 2 315.392 3.243 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000340392720 434103014 /nfs/dbraw/zinc/10/30/14/434103014.db2.gz DQCAOFATJBHGMI-DLBZAZTESA-N 2 2 313.445 3.471 20 0 DGADLP CCc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000340392720 434103026 /nfs/dbraw/zinc/10/30/26/434103026.db2.gz DQCAOFATJBHGMI-DLBZAZTESA-N 2 2 313.445 3.471 20 0 DGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184157 434103359 /nfs/dbraw/zinc/10/33/59/434103359.db2.gz OGAIOFSZRIISFG-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184157 434103369 /nfs/dbraw/zinc/10/33/69/434103369.db2.gz OGAIOFSZRIISFG-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184157 434103378 /nfs/dbraw/zinc/10/33/78/434103378.db2.gz OGAIOFSZRIISFG-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2coc(-c3ccccc3)n2)C1 ZINC000378184157 434103387 /nfs/dbraw/zinc/10/33/87/434103387.db2.gz OGAIOFSZRIISFG-SJLPKXTDSA-N 2 2 311.429 3.258 20 0 DGADLP CCC[C@](C)([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000378212671 434110548 /nfs/dbraw/zinc/11/05/48/434110548.db2.gz WTDXHHLSWWGYIS-KRWDZBQOSA-N 2 2 300.406 3.150 20 0 DGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000422927692 434113498 /nfs/dbraw/zinc/11/34/98/434113498.db2.gz ZRCGTTWBXPVPGZ-NYMASUJMSA-N 2 2 322.880 3.394 20 0 DGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000422941967 434121071 /nfs/dbraw/zinc/12/10/71/434121071.db2.gz PBCHZBUDSFKNBN-SWLSCSKDSA-N 2 2 301.459 3.069 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000497128928 294005083 /nfs/dbraw/zinc/00/50/83/294005083.db2.gz MLMPVTKDTORPFE-UHIXZJCNSA-N 2 2 322.880 3.488 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000497128928 294005084 /nfs/dbraw/zinc/00/50/84/294005084.db2.gz MLMPVTKDTORPFE-UHIXZJCNSA-N 2 2 322.880 3.488 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000363611473 434101442 /nfs/dbraw/zinc/10/14/42/434101442.db2.gz IRYUXUXCXZYGGL-VQIMIIECSA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000363611473 434101455 /nfs/dbraw/zinc/10/14/55/434101455.db2.gz IRYUXUXCXZYGGL-VQIMIIECSA-N 3 2 312.461 3.007 20 0 DGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)ccn2)cn1 ZINC000285975052 434124978 /nfs/dbraw/zinc/12/49/78/434124978.db2.gz HIWOZYQFAQOHOO-AWEZNQCLSA-N 2 2 307.401 3.130 20 0 DGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)C1 ZINC000500567549 294117648 /nfs/dbraw/zinc/11/76/48/294117648.db2.gz DYBKOGRQOYRVDU-MMTVNHQJSA-N 2 2 306.425 3.010 20 0 DGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)C1 ZINC000500567549 294117650 /nfs/dbraw/zinc/11/76/50/294117650.db2.gz DYBKOGRQOYRVDU-MMTVNHQJSA-N 2 2 306.425 3.010 20 0 DGADLP COc1cccc(OC)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000378257536 434126578 /nfs/dbraw/zinc/12/65/78/434126578.db2.gz AQYFYGGZAMORMR-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP CC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000503104556 294185822 /nfs/dbraw/zinc/18/58/22/294185822.db2.gz RBFBFHPZJGHPEP-RBUKOAKNSA-N 2 2 316.489 3.224 20 0 DGADLP CC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000503104556 294185825 /nfs/dbraw/zinc/18/58/25/294185825.db2.gz RBFBFHPZJGHPEP-RBUKOAKNSA-N 2 2 316.489 3.224 20 0 DGADLP CCN(CC)c1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000340428104 434125996 /nfs/dbraw/zinc/12/59/96/434125996.db2.gz RGNCLSHFJMQXMD-UHFFFAOYSA-N 2 2 322.522 3.096 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000507489742 294301524 /nfs/dbraw/zinc/30/15/24/294301524.db2.gz YALVXVPHDNLPNM-NZSAHSFTSA-N 2 2 304.478 3.474 20 0 DGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000422945968 434130323 /nfs/dbraw/zinc/13/03/23/434130323.db2.gz NZWMHHMXWNCKNB-QWRGUYRKSA-N 2 2 303.269 3.260 20 0 DGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000481040919 294334355 /nfs/dbraw/zinc/33/43/55/294334355.db2.gz AGEVOGRNKDQHGH-YQVWRLOYSA-N 2 2 304.478 3.473 20 0 DGADLP CC(C)[C@H](C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509293506 294346182 /nfs/dbraw/zinc/34/61/82/294346182.db2.gz JCGDURYPPZWHRG-SFHVURJKSA-N 2 2 303.494 3.175 20 0 DGADLP CC(C)[C@H](C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509293506 294346186 /nfs/dbraw/zinc/34/61/86/294346186.db2.gz JCGDURYPPZWHRG-SFHVURJKSA-N 2 2 303.494 3.175 20 0 DGADLP CCC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509326525 294347189 /nfs/dbraw/zinc/34/71/89/294347189.db2.gz HBURJGOWQJGPPV-UHFFFAOYSA-N 2 2 315.505 3.321 20 0 DGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509645622 294359583 /nfs/dbraw/zinc/35/95/83/294359583.db2.gz ZYVDRPZBVCTUOW-RTBURBONSA-N 2 2 315.505 3.462 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-c2csc(C)n2)o1)[C@@H]1CCC[NH2+]1 ZINC000422947438 434132614 /nfs/dbraw/zinc/13/26/14/434132614.db2.gz QBKWPXMYSUKUJW-KBPBESRZSA-N 2 2 305.447 3.332 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccc(-c2csc(C)n2)o1)[C@@H]1CCC[NH2+]1 ZINC000422947439 434132640 /nfs/dbraw/zinc/13/26/40/434132640.db2.gz QBKWPXMYSUKUJW-KGLIPLIRSA-N 2 2 305.447 3.332 20 0 DGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)c1 ZINC000422950469 434133061 /nfs/dbraw/zinc/13/30/61/434133061.db2.gz WAQUTIQSMZMQIN-OLMNPRSZSA-N 2 2 317.477 3.291 20 0 DGADLP CCc1cccc(F)c1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000353440311 434134216 /nfs/dbraw/zinc/13/42/16/434134216.db2.gz QGXXVYROTXJOCS-HNNXBMFYSA-N 2 2 320.452 3.073 20 0 DGADLP CCc1cccc(F)c1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000353440311 434134228 /nfs/dbraw/zinc/13/42/28/434134228.db2.gz QGXXVYROTXJOCS-HNNXBMFYSA-N 2 2 320.452 3.073 20 0 DGADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccn1 ZINC000422973795 434149900 /nfs/dbraw/zinc/14/99/00/434149900.db2.gz CUMUNURAXAWVHS-BFYDXBDKSA-N 2 2 305.466 3.125 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1c[nH+]ccc1N ZINC000422978613 434150412 /nfs/dbraw/zinc/15/04/12/434150412.db2.gz ZTSUBFKOTWVTTJ-ZDUSSCGKSA-N 2 2 312.417 3.061 20 0 DGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000340474691 434151959 /nfs/dbraw/zinc/15/19/59/434151959.db2.gz METVRJNATRTCEP-IEBWSBKVSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340474691 434151964 /nfs/dbraw/zinc/15/19/64/434151964.db2.gz METVRJNATRTCEP-IEBWSBKVSA-N 2 2 314.477 3.018 20 0 DGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422985079 434152590 /nfs/dbraw/zinc/15/25/90/434152590.db2.gz BZKOUQSIHSICNT-RBUKOAKNSA-N 3 2 315.505 3.332 20 0 DGADLP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000340475393 434154004 /nfs/dbraw/zinc/15/40/04/434154004.db2.gz QHNJORCQJGGTIO-AWEZNQCLSA-N 2 2 308.441 3.193 20 0 DGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000314964912 434154425 /nfs/dbraw/zinc/15/44/25/434154425.db2.gz BYLPHJGWWJQLSR-AWEZNQCLSA-N 2 2 303.406 3.031 20 0 DGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3c2OCCCO3)c2ccccc21 ZINC000422993902 434157511 /nfs/dbraw/zinc/15/75/11/434157511.db2.gz UGDCVDMONPKPAZ-IRXDYDNUSA-N 2 2 310.397 3.082 20 0 DGADLP COc1ccc([C@H]([NH2+]CCSCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423011956 434166059 /nfs/dbraw/zinc/16/60/59/434166059.db2.gz JSWBPULALMPXKU-MSOLQXFVSA-N 2 2 322.518 3.467 20 0 DGADLP COc1ccc([C@H]([NH2+]CCSCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423011958 434168123 /nfs/dbraw/zinc/16/81/23/434168123.db2.gz JSWBPULALMPXKU-ROUUACIJSA-N 2 2 322.518 3.467 20 0 DGADLP Clc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000423018948 434168245 /nfs/dbraw/zinc/16/82/45/434168245.db2.gz SNRPKDOBEVIZNM-RDJZCZTQSA-N 2 2 301.821 3.318 20 0 DGADLP c1c[nH+]c([C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2)[nH]1 ZINC000363862065 434170526 /nfs/dbraw/zinc/17/05/26/434170526.db2.gz GKWKFTWLVPGHIL-WMZOPIPTSA-N 2 2 310.445 3.106 20 0 DGADLP CC(C)OCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000363869450 434172359 /nfs/dbraw/zinc/17/23/59/434172359.db2.gz RBPWBOBDOUBQRJ-UHFFFAOYSA-N 2 2 310.869 3.319 20 0 DGADLP CCCC[C@H](COC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000513208746 294465622 /nfs/dbraw/zinc/46/56/22/294465622.db2.gz YEHFGARSZOAZGB-CQSZACIVSA-N 2 2 310.404 3.198 20 0 DGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457455211 434182522 /nfs/dbraw/zinc/18/25/22/434182522.db2.gz JIJCRSDWKZVIIX-UHFFFAOYSA-N 2 2 324.428 3.075 20 0 DGADLP COCC[NH+]1CCC([NH2+][C@@H](CCC(C)C)c2ccoc2)CC1 ZINC000353506437 434182899 /nfs/dbraw/zinc/18/28/99/434182899.db2.gz YIUGZTVDKGHPMI-SFHVURJKSA-N 2 2 308.466 3.457 20 0 DGADLP C[C@@H](CC(C)(C)O)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000295073198 434183662 /nfs/dbraw/zinc/18/36/62/434183662.db2.gz PLBOCDRUHJSARV-AWEZNQCLSA-N 2 2 324.896 3.444 20 0 DGADLP CC1(C)C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000316206727 434185641 /nfs/dbraw/zinc/18/56/41/434185641.db2.gz MZNZOCXINGHTNN-ROUUACIJSA-N 2 2 302.462 3.371 20 0 DGADLP COc1cccc(C[C@H]([NH2+]CC[NH+]2CCCCCC2)C2CC2)c1 ZINC000513495977 294475430 /nfs/dbraw/zinc/47/54/30/294475430.db2.gz XVDDKRFSHIPEJM-FQEVSTJZSA-N 2 2 316.489 3.482 20 0 DGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000423044005 434188771 /nfs/dbraw/zinc/18/87/71/434188771.db2.gz QLPQIQWIYLLNKX-MJGOQNOKSA-N 2 2 316.489 3.146 20 0 DGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000316448821 434189263 /nfs/dbraw/zinc/18/92/63/434189263.db2.gz GBUUCOMBIKZXNO-HCXYKTFWSA-N 3 2 309.542 3.253 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000340532039 434189988 /nfs/dbraw/zinc/18/99/88/434189988.db2.gz JFSTWYVCMIAJCQ-HUUCEWRRSA-N 2 2 305.466 3.010 20 0 DGADLP COc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423060197 434196159 /nfs/dbraw/zinc/19/61/59/434196159.db2.gz HPIKEKLCYKMNAP-MSOLQXFVSA-N 2 2 314.404 3.417 20 0 DGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)s1 ZINC000423060101 434197657 /nfs/dbraw/zinc/19/76/57/434197657.db2.gz NOZBWLKMQRHBQH-GUBZILKMSA-N 2 2 303.269 3.302 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000353534257 434208234 /nfs/dbraw/zinc/20/82/34/434208234.db2.gz HVSSXXBIHMGLIH-NVXWUHKLSA-N 2 2 320.477 3.308 20 0 DGADLP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)noc1-c1ccccc1 ZINC000514667652 294507727 /nfs/dbraw/zinc/50/77/27/294507727.db2.gz HBCDBRKYWGYLMZ-OKZBNKHCSA-N 2 2 311.429 3.352 20 0 DGADLP COc1cccc(C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C2CC2)c1 ZINC000437080433 434212223 /nfs/dbraw/zinc/21/22/23/434212223.db2.gz ZMSVSVNCMAOQKM-GOSISDBHSA-N 2 2 302.462 3.090 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000423089789 434214487 /nfs/dbraw/zinc/21/44/87/434214487.db2.gz VZOQNMXJMFZCTE-NHJHPMQKSA-N 2 2 307.441 3.352 20 0 DGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000423089928 434215393 /nfs/dbraw/zinc/21/53/93/434215393.db2.gz WFMBROUMJWXJDX-WTLGNFPFSA-N 2 2 302.462 3.228 20 0 DGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2ccccc21 ZINC000423014122 434166631 /nfs/dbraw/zinc/16/66/31/434166631.db2.gz OLGCLXFGBJWRFY-MSOLQXFVSA-N 2 2 309.413 3.247 20 0 DGADLP CC[C@H](NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000423144159 434241714 /nfs/dbraw/zinc/24/17/14/434241714.db2.gz GEFCYMSIEAQXOK-HOTGVXAUSA-N 2 2 318.852 3.146 20 0 DGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423140858 434243777 /nfs/dbraw/zinc/24/37/77/434243777.db2.gz ZMPJGJZTDPLMII-SECBINFHSA-N 2 2 309.335 3.117 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC)c1 ZINC000321720351 434253924 /nfs/dbraw/zinc/25/39/24/434253924.db2.gz ZINMLTGOYQCBHY-UYHISHBKSA-N 2 2 312.413 3.499 20 0 DGADLP CC(C)c1nc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc[nH+]1 ZINC000346611659 434255132 /nfs/dbraw/zinc/25/51/32/434255132.db2.gz ONRRUJVHWPAJHN-HNNXBMFYSA-N 2 2 318.852 3.968 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2OCCC(C)C)n1C ZINC000515311983 294551102 /nfs/dbraw/zinc/55/11/02/294551102.db2.gz ASTMNBQTLYWTBB-UHFFFAOYSA-N 2 2 301.434 3.443 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000353599663 434259877 /nfs/dbraw/zinc/25/98/77/434259877.db2.gz XFHSDQOCEQZEDH-IPELMVKDSA-N 2 2 314.473 3.010 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2c3ccccc3CC23CCOCC3)C1 ZINC000353599663 434259887 /nfs/dbraw/zinc/25/98/87/434259887.db2.gz XFHSDQOCEQZEDH-IPELMVKDSA-N 2 2 314.473 3.010 20 0 DGADLP Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc12 ZINC000423173718 434260472 /nfs/dbraw/zinc/26/04/72/434260472.db2.gz ZUIAKRHZLWWHJA-WOJBJXKFSA-N 2 2 310.441 3.005 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncn1 ZINC000379626028 434261731 /nfs/dbraw/zinc/26/17/31/434261731.db2.gz GMLHDYPYBNQWOE-RYRKJORJSA-N 2 2 310.445 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncn1 ZINC000379626028 434261739 /nfs/dbraw/zinc/26/17/39/434261739.db2.gz GMLHDYPYBNQWOE-RYRKJORJSA-N 2 2 310.445 3.180 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000450558398 434264586 /nfs/dbraw/zinc/26/45/86/434264586.db2.gz CFHDZLWNCBXVDP-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000450558398 434264594 /nfs/dbraw/zinc/26/45/94/434264594.db2.gz CFHDZLWNCBXVDP-ZDUSSCGKSA-N 2 2 305.809 3.451 20 0 DGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423186907 434270464 /nfs/dbraw/zinc/27/04/64/434270464.db2.gz KNEHINXJTHHMFG-WFASDCNBSA-N 2 2 318.852 3.237 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000295142559 434224615 /nfs/dbraw/zinc/22/46/15/434224615.db2.gz IXPJPMWXAIPESG-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000295142559 434224625 /nfs/dbraw/zinc/22/46/25/434224625.db2.gz IXPJPMWXAIPESG-AEFFLSMTSA-N 2 2 302.462 3.198 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)ccc2n1C1CC1 ZINC000423116272 434228562 /nfs/dbraw/zinc/22/85/62/434228562.db2.gz PDDSREHKJNLXLH-CXAGYDPISA-N 2 2 312.461 3.021 20 0 DGADLP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc(N2CCCC2)n1 ZINC000423119506 434230136 /nfs/dbraw/zinc/23/01/36/434230136.db2.gz CRICNEFEAVHGJS-MOPGFXCFSA-N 2 2 322.456 3.225 20 0 DGADLP CCc1nc2cc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423116623 434230166 /nfs/dbraw/zinc/23/01/66/434230166.db2.gz QPZDTEZXNBYOHV-BBRMVZONSA-N 2 2 312.461 3.164 20 0 DGADLP CCSCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423115569 434230290 /nfs/dbraw/zinc/23/02/90/434230290.db2.gz NNYWPBCFLIBGDD-SJORKVTESA-N 2 2 308.491 3.221 20 0 DGADLP C[NH+](CCC[N@@H+](C)CCCc1ccncc1)Cc1ccco1 ZINC000353559072 434231176 /nfs/dbraw/zinc/23/11/76/434231176.db2.gz ZCXSLFKDPKDKFK-UHFFFAOYSA-N 2 2 301.434 3.061 20 0 DGADLP C[NH+](CCC[N@H+](C)CCCc1ccncc1)Cc1ccco1 ZINC000353559072 434231185 /nfs/dbraw/zinc/23/11/85/434231185.db2.gz ZCXSLFKDPKDKFK-UHFFFAOYSA-N 2 2 301.434 3.061 20 0 DGADLP C[NH+](CCCc1ccncc1)CCC[N@H+](C)Cc1ccco1 ZINC000353559072 434231196 /nfs/dbraw/zinc/23/11/96/434231196.db2.gz ZCXSLFKDPKDKFK-UHFFFAOYSA-N 2 2 301.434 3.061 20 0 DGADLP C[NH+](CCCc1ccncc1)CCC[N@@H+](C)Cc1ccco1 ZINC000353559072 434231205 /nfs/dbraw/zinc/23/12/05/434231205.db2.gz ZCXSLFKDPKDKFK-UHFFFAOYSA-N 2 2 301.434 3.061 20 0 DGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423125262 434232223 /nfs/dbraw/zinc/23/22/23/434232223.db2.gz QBUHEIJLBYQIBQ-NWANDNLSSA-N 2 2 300.368 3.138 20 0 DGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423125263 434232707 /nfs/dbraw/zinc/23/27/07/434232707.db2.gz QBUHEIJLBYQIBQ-QEJZJMRPSA-N 2 2 300.368 3.138 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358007788 434283158 /nfs/dbraw/zinc/28/31/58/434283158.db2.gz RROJFMUSYKENOB-GPMSIDNRSA-N 2 2 304.478 3.082 20 0 DGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358007788 434283163 /nfs/dbraw/zinc/28/31/63/434283163.db2.gz RROJFMUSYKENOB-GPMSIDNRSA-N 2 2 304.478 3.082 20 0 DGADLP CC[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)[C@@H](CC)CN1C(C)=O ZINC000353630084 434288408 /nfs/dbraw/zinc/28/84/08/434288408.db2.gz XMUZUQYGIDVDKJ-OALUTQOASA-N 2 2 317.477 3.044 20 0 DGADLP CC[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)[C@@H](CC)CN1C(C)=O ZINC000353630084 434288414 /nfs/dbraw/zinc/28/84/14/434288414.db2.gz XMUZUQYGIDVDKJ-OALUTQOASA-N 2 2 317.477 3.044 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219375 434290009 /nfs/dbraw/zinc/29/00/09/434290009.db2.gz TYLVJWUTRZRAEK-DNVCBOLYSA-N 2 2 322.456 3.372 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219375 434290017 /nfs/dbraw/zinc/29/00/17/434290017.db2.gz TYLVJWUTRZRAEK-DNVCBOLYSA-N 2 2 322.456 3.372 20 0 DGADLP c1cc(C[NH+]2CCC(Nc3ccc4c(c3)CC[NH2+]4)CC2)ccn1 ZINC000423214595 434292186 /nfs/dbraw/zinc/29/21/86/434292186.db2.gz LJFMJGZTKPSELH-UHFFFAOYSA-N 2 2 308.429 3.126 20 0 DGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[NH+](C3CC3)C[C@H]2C)c1 ZINC000358030552 434296099 /nfs/dbraw/zinc/29/60/99/434296099.db2.gz ATIFMYSJOKXHNB-UZLBHIALSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[NH+](C3CC3)C[C@H]2C)c1 ZINC000358030552 434296108 /nfs/dbraw/zinc/29/61/08/434296108.db2.gz ATIFMYSJOKXHNB-UZLBHIALSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000358030552 434296117 /nfs/dbraw/zinc/29/61/17/434296117.db2.gz ATIFMYSJOKXHNB-UZLBHIALSA-N 3 2 315.505 3.099 20 0 DGADLP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000358030552 434296125 /nfs/dbraw/zinc/29/61/25/434296125.db2.gz ATIFMYSJOKXHNB-UZLBHIALSA-N 3 2 315.505 3.099 20 0 DGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645748 434298052 /nfs/dbraw/zinc/29/80/52/434298052.db2.gz BWLOBEOSDSWXRL-GDBMZVCRSA-N 2 2 323.506 3.301 20 0 DGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645748 434298060 /nfs/dbraw/zinc/29/80/60/434298060.db2.gz BWLOBEOSDSWXRL-GDBMZVCRSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645748 434298067 /nfs/dbraw/zinc/29/80/67/434298067.db2.gz BWLOBEOSDSWXRL-GDBMZVCRSA-N 2 2 323.506 3.301 20 0 DGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353645748 434298075 /nfs/dbraw/zinc/29/80/75/434298075.db2.gz BWLOBEOSDSWXRL-GDBMZVCRSA-N 2 2 323.506 3.301 20 0 DGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1Cl ZINC000423232105 434298346 /nfs/dbraw/zinc/29/83/46/434298346.db2.gz MJHYPUNFKYSJHS-ZDUSSCGKSA-N 2 2 316.836 3.318 20 0 DGADLP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OCC ZINC000423230902 434299525 /nfs/dbraw/zinc/29/95/25/434299525.db2.gz FPJFPWWVRDVODS-JKSUJKDBSA-N 2 2 306.450 3.277 20 0 DGADLP CCOc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[NH2+]2)cc1OCC ZINC000423230899 434299548 /nfs/dbraw/zinc/29/95/48/434299548.db2.gz FPJFPWWVRDVODS-CVEARBPZSA-N 2 2 306.450 3.277 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000423232250 434300581 /nfs/dbraw/zinc/30/05/81/434300581.db2.gz HZBFUKYOBGBZIZ-DOTOQJQBSA-N 2 2 312.461 3.200 20 0 DGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(C)c1 ZINC000423233461 434301101 /nfs/dbraw/zinc/30/11/01/434301101.db2.gz OJUOKQKKZHLZEX-MRXNPFEDSA-N 2 2 310.445 3.281 20 0 DGADLP C[NH2+]C[C@H](C)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423275200 434334587 /nfs/dbraw/zinc/33/45/87/434334587.db2.gz MVLQJTKUZLBRNC-LIRRHRJNSA-N 2 2 309.413 3.362 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000423236536 434306464 /nfs/dbraw/zinc/30/64/64/434306464.db2.gz HNLRQGQOEFMUPJ-ROUUACIJSA-N 2 2 312.461 3.284 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423245980 434308269 /nfs/dbraw/zinc/30/82/69/434308269.db2.gz ZAQZQLOTPBALKN-KRWDZBQOSA-N 2 2 303.837 3.218 20 0 DGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000423244712 434310317 /nfs/dbraw/zinc/31/03/17/434310317.db2.gz NWZHJHONJNSQBZ-IAGOWNOFSA-N 2 2 312.413 3.199 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000423248401 434310889 /nfs/dbraw/zinc/31/08/89/434310889.db2.gz RRFMFPUPHBNWOA-ROUUACIJSA-N 2 2 312.461 3.211 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000423251254 434313221 /nfs/dbraw/zinc/31/32/21/434313221.db2.gz VMHWPBPHKHXXAJ-ZDUSSCGKSA-N 2 2 303.475 3.302 20 0 DGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423251318 434315270 /nfs/dbraw/zinc/31/52/70/434315270.db2.gz VXVRBOBJTZNCLQ-GOEBONIOSA-N 2 2 324.440 3.034 20 0 DGADLP CCn1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423253589 434316276 /nfs/dbraw/zinc/31/62/76/434316276.db2.gz ZAUSLGPFPILKHL-RDTXWAMCSA-N 2 2 300.450 3.377 20 0 DGADLP CC[C@H]1C[N@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@@H]1[NH3+] ZINC000387546842 434322887 /nfs/dbraw/zinc/32/28/87/434322887.db2.gz XNYPOIZTGAVZKZ-LRDDRELGSA-N 2 2 303.381 3.040 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2coc(-c3cccc(F)c3)n2)CC[C@@H]1[NH3+] ZINC000387546842 434322891 /nfs/dbraw/zinc/32/28/91/434322891.db2.gz XNYPOIZTGAVZKZ-LRDDRELGSA-N 2 2 303.381 3.040 20 0 DGADLP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423266303 434325142 /nfs/dbraw/zinc/32/51/42/434325142.db2.gz BOPMHDSTMZOCEL-GUDVDZBRSA-N 3 2 307.526 3.199 20 0 DGADLP CCn1ccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295248017 434277653 /nfs/dbraw/zinc/27/76/53/434277653.db2.gz PZRAEPWWEKZMGJ-INIZCTEOSA-N 2 2 312.461 3.218 20 0 DGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC000390423969 434360929 /nfs/dbraw/zinc/36/09/29/434360929.db2.gz UAHXXKUDRDIKHW-VQTJNVASSA-N 2 2 318.424 3.166 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423318473 434361742 /nfs/dbraw/zinc/36/17/42/434361742.db2.gz BTKXLXONDWDMSY-ZDUSSCGKSA-N 2 2 322.449 3.441 20 0 DGADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287444952 434361876 /nfs/dbraw/zinc/36/18/76/434361876.db2.gz HPKPBEIISFVPOL-UHFFFAOYSA-N 2 2 306.454 3.284 20 0 DGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CC(C(C)C)C2)cc1 ZINC000423327858 434363251 /nfs/dbraw/zinc/36/32/51/434363251.db2.gz KLOVYPQYUBNXSV-YVZJPGBNSA-N 2 2 302.462 3.165 20 0 DGADLP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423327454 434364069 /nfs/dbraw/zinc/36/40/69/434364069.db2.gz NIVRORVODXXEIK-MFKMUULPSA-N 2 2 305.422 3.263 20 0 DGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450724882 434364307 /nfs/dbraw/zinc/36/43/07/434364307.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000450724882 434364318 /nfs/dbraw/zinc/36/43/18/434364318.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450724882 434364326 /nfs/dbraw/zinc/36/43/26/434364326.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 3 2 321.553 3.492 20 0 DGADLP CC(C)[NH+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450724882 434364334 /nfs/dbraw/zinc/36/43/34/434364334.db2.gz HGYOLNTVZDALHB-NSHGMRRFSA-N 3 2 321.553 3.492 20 0 DGADLP COCC[NH2+]CC[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423344003 434374233 /nfs/dbraw/zinc/37/42/33/434374233.db2.gz WPFKGSHBVXSYSD-KRWDZBQOSA-N 2 2 304.434 3.346 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744742 434385518 /nfs/dbraw/zinc/38/55/18/434385518.db2.gz HETAPPKKLFWNCB-AEFFLSMTSA-N 2 2 320.477 3.016 20 0 DGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744742 434385524 /nfs/dbraw/zinc/38/55/24/434385524.db2.gz HETAPPKKLFWNCB-AEFFLSMTSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744742 434385537 /nfs/dbraw/zinc/38/55/37/434385537.db2.gz HETAPPKKLFWNCB-AEFFLSMTSA-N 2 2 320.477 3.016 20 0 DGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCCOC)C[C@H]1C ZINC000353744742 434385548 /nfs/dbraw/zinc/38/55/48/434385548.db2.gz HETAPPKKLFWNCB-AEFFLSMTSA-N 2 2 320.477 3.016 20 0 DGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000423370546 434385979 /nfs/dbraw/zinc/38/59/79/434385979.db2.gz PPSCVUITMGAHJL-PNPHSEOMSA-N 2 2 317.383 3.156 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423367242 434386084 /nfs/dbraw/zinc/38/60/84/434386084.db2.gz AAAOUBIKJFLFAB-GHMZBOCLSA-N 2 2 315.255 3.106 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423367245 434386944 /nfs/dbraw/zinc/38/69/44/434386944.db2.gz AAAOUBIKJFLFAB-MNOVXSKESA-N 2 2 315.255 3.106 20 0 DGADLP CCCC[C@@H](C[NH3+])N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000423293669 434342985 /nfs/dbraw/zinc/34/29/85/434342985.db2.gz ANLZAJDGZHFSNZ-HOTGVXAUSA-N 2 2 320.868 3.270 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)[NH3+])c2ccc(F)cc2)cc1 ZINC000423289422 434343247 /nfs/dbraw/zinc/34/32/47/434343247.db2.gz XFDCZNIXBJWOMD-KRWDZBQOSA-N 2 2 302.393 3.251 20 0 DGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146157 434344489 /nfs/dbraw/zinc/34/44/89/434344489.db2.gz FEQQUIIQDLRYMH-MOPGFXCFSA-N 2 2 302.462 3.108 20 0 DGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146157 434344503 /nfs/dbraw/zinc/34/45/03/434344503.db2.gz FEQQUIIQDLRYMH-MOPGFXCFSA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146157 434344510 /nfs/dbraw/zinc/34/45/10/434344510.db2.gz FEQQUIIQDLRYMH-MOPGFXCFSA-N 2 2 302.462 3.108 20 0 DGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000366146157 434344521 /nfs/dbraw/zinc/34/45/21/434344521.db2.gz FEQQUIIQDLRYMH-MOPGFXCFSA-N 2 2 302.462 3.108 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289042 434345808 /nfs/dbraw/zinc/34/58/08/434345808.db2.gz VXPYLNCUKQWSAV-CEXWTWQISA-N 3 2 315.505 3.004 20 0 DGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289042 434345817 /nfs/dbraw/zinc/34/58/17/434345817.db2.gz VXPYLNCUKQWSAV-CEXWTWQISA-N 3 2 315.505 3.004 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150414 434346206 /nfs/dbraw/zinc/34/62/06/434346206.db2.gz DGIVFVRKEJQOHB-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150414 434346217 /nfs/dbraw/zinc/34/62/17/434346217.db2.gz DGIVFVRKEJQOHB-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150414 434346226 /nfs/dbraw/zinc/34/62/26/434346226.db2.gz DGIVFVRKEJQOHB-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(C(C)(C)C)s3)CC[C@@H]21 ZINC000366150414 434346236 /nfs/dbraw/zinc/34/62/36/434346236.db2.gz DGIVFVRKEJQOHB-KGLIPLIRSA-N 2 2 307.507 3.357 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000389237739 434347916 /nfs/dbraw/zinc/34/79/16/434347916.db2.gz KBVAVWKOGHDPJT-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000389237739 434347925 /nfs/dbraw/zinc/34/79/25/434347925.db2.gz KBVAVWKOGHDPJT-HIFRSBDPSA-N 2 2 309.251 3.120 20 0 DGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000423304383 434348449 /nfs/dbraw/zinc/34/84/49/434348449.db2.gz YNQUJPHUWFUYIP-MSOLQXFVSA-N 2 2 301.409 3.417 20 0 DGADLP CC1=CC[N@H+](CC[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000358157182 434355982 /nfs/dbraw/zinc/35/59/82/434355982.db2.gz GZIRVFIOKUNAFT-UHFFFAOYSA-N 2 2 307.441 3.490 20 0 DGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000358157182 434355994 /nfs/dbraw/zinc/35/59/94/434355994.db2.gz GZIRVFIOKUNAFT-UHFFFAOYSA-N 2 2 307.441 3.490 20 0 DGADLP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccc(F)cc2)cc1 ZINC000423310422 434355931 /nfs/dbraw/zinc/35/59/31/434355931.db2.gz AKZZJEBFVIPYFI-OALUTQOASA-N 2 2 314.404 3.251 20 0 DGADLP CCC[NH2+]CC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423313848 434356275 /nfs/dbraw/zinc/35/62/75/434356275.db2.gz VCODNAHDMDQZHL-AWEZNQCLSA-N 2 2 315.230 3.165 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366208444 434356686 /nfs/dbraw/zinc/35/66/86/434356686.db2.gz HQYNHLMUXRUNIQ-MAUKXSAKSA-N 2 2 311.429 3.355 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1sc(C)nc1C)CCC2 ZINC000366208477 434357086 /nfs/dbraw/zinc/35/70/86/434357086.db2.gz IARZGHCFZHJGSN-RISCZKNCSA-N 2 2 304.463 3.493 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1sc(C)nc1C)CCC2 ZINC000366208475 434357987 /nfs/dbraw/zinc/35/79/87/434357987.db2.gz IARZGHCFZHJGSN-BXUZGUMPSA-N 2 2 304.463 3.493 20 0 DGADLP C[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CCC[NH2+]C1 ZINC000423324677 434358382 /nfs/dbraw/zinc/35/83/82/434358382.db2.gz BDSPOAGQXBOXED-RTBURBONSA-N 2 2 313.420 3.289 20 0 DGADLP COc1ccc([C@@H]([NH2+]CC2([NH3+])CCC2)c2ccc(F)cc2)cc1 ZINC000423318283 434360121 /nfs/dbraw/zinc/36/01/21/434360121.db2.gz DLAXGYGNUUMIKP-SFHVURJKSA-N 2 2 314.404 3.395 20 0 DGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000423375464 434391280 /nfs/dbraw/zinc/39/12/80/434391280.db2.gz KOVSGXMOOVTRHM-WZRBSPASSA-N 2 2 306.841 3.018 20 0 DGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366212825 434360781 /nfs/dbraw/zinc/36/07/81/434360781.db2.gz XCYLYBILPGRXIC-YOEHRIQHSA-N 2 2 311.429 3.355 20 0 DGADLP [NH3+]C1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCC1 ZINC000423317155 434360848 /nfs/dbraw/zinc/36/08/48/434360848.db2.gz CKVRWKOUNMYMNM-LBPRGKRZSA-N 2 2 313.214 3.047 20 0 DGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000423481572 434445422 /nfs/dbraw/zinc/44/54/22/434445422.db2.gz WXFVQYWNCBXRAX-AEFFLSMTSA-N 2 2 302.393 3.251 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423383495 434395718 /nfs/dbraw/zinc/39/57/18/434395718.db2.gz JLMBISQKYBETAC-GSEOLPGOSA-N 3 2 315.505 3.017 20 0 DGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423383495 434395725 /nfs/dbraw/zinc/39/57/25/434395725.db2.gz JLMBISQKYBETAC-GSEOLPGOSA-N 3 2 315.505 3.017 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748980 434397701 /nfs/dbraw/zinc/39/77/01/434397701.db2.gz QWBVGDDSFMOPMF-CZUORRHYSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748980 434397712 /nfs/dbraw/zinc/39/77/12/434397712.db2.gz QWBVGDDSFMOPMF-CZUORRHYSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748980 434397719 /nfs/dbraw/zinc/39/77/19/434397719.db2.gz QWBVGDDSFMOPMF-CZUORRHYSA-N 2 2 320.868 3.292 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000353748980 434397728 /nfs/dbraw/zinc/39/77/28/434397728.db2.gz QWBVGDDSFMOPMF-CZUORRHYSA-N 2 2 320.868 3.292 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752686 434403399 /nfs/dbraw/zinc/40/33/99/434403399.db2.gz TWMYLIWKGSGZRP-QWHCGFSZSA-N 2 2 315.383 3.405 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752686 434403411 /nfs/dbraw/zinc/40/34/11/434403411.db2.gz TWMYLIWKGSGZRP-QWHCGFSZSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752686 434403421 /nfs/dbraw/zinc/40/34/21/434403421.db2.gz TWMYLIWKGSGZRP-QWHCGFSZSA-N 2 2 315.383 3.405 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ncccc2C(F)(F)F)C[C@@H]1C ZINC000353752686 434403433 /nfs/dbraw/zinc/40/34/33/434403433.db2.gz TWMYLIWKGSGZRP-QWHCGFSZSA-N 2 2 315.383 3.405 20 0 DGADLP COC[C@]1(C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)CCC[NH2+]1 ZINC000423415493 434409135 /nfs/dbraw/zinc/40/91/35/434409135.db2.gz PCVAYQTYIBYDRY-RDTXWAMCSA-N 2 2 302.418 3.160 20 0 DGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626638 434411083 /nfs/dbraw/zinc/41/10/83/434411083.db2.gz KBCWUJGPXDVNHW-SWLSCSKDSA-N 2 2 314.832 3.098 20 0 DGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000287626638 434411097 /nfs/dbraw/zinc/41/10/97/434411097.db2.gz KBCWUJGPXDVNHW-SWLSCSKDSA-N 2 2 314.832 3.098 20 0 DGADLP COC[C@]1(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CCC[NH2+]1 ZINC000423414805 434411254 /nfs/dbraw/zinc/41/12/54/434411254.db2.gz CNTHYYNYTZLKNJ-NHCUHLMSSA-N 2 2 324.468 3.329 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)CC[N@@H+]1C ZINC000394955201 434411704 /nfs/dbraw/zinc/41/17/04/434411704.db2.gz FZIRBSGYBBVEFB-CMPLNLGQSA-N 2 2 315.230 3.161 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2F)CC[N@H+]1C ZINC000394955201 434411713 /nfs/dbraw/zinc/41/17/13/434411713.db2.gz FZIRBSGYBBVEFB-CMPLNLGQSA-N 2 2 315.230 3.161 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121556 434418486 /nfs/dbraw/zinc/41/84/86/434418486.db2.gz YQPHEAXRKBYUHN-SCLBCKFNSA-N 2 2 301.409 3.223 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121556 434418495 /nfs/dbraw/zinc/41/84/95/434418495.db2.gz YQPHEAXRKBYUHN-SCLBCKFNSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121556 434418504 /nfs/dbraw/zinc/41/85/04/434418504.db2.gz YQPHEAXRKBYUHN-SCLBCKFNSA-N 2 2 301.409 3.223 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cccc4F)[nH]3)CC[C@H]21 ZINC000438121556 434418512 /nfs/dbraw/zinc/41/85/12/434418512.db2.gz YQPHEAXRKBYUHN-SCLBCKFNSA-N 2 2 301.409 3.223 20 0 DGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000423428521 434419008 /nfs/dbraw/zinc/41/90/08/434419008.db2.gz JHCKEFVHYATDDR-BEFAXECRSA-N 2 2 324.428 3.041 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866982 434448407 /nfs/dbraw/zinc/44/84/07/434448407.db2.gz GOAMCNWPBMVVMM-PKOBYXMFSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450866982 434448421 /nfs/dbraw/zinc/44/84/21/434448421.db2.gz GOAMCNWPBMVVMM-PKOBYXMFSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450866982 434448431 /nfs/dbraw/zinc/44/84/31/434448431.db2.gz GOAMCNWPBMVVMM-PKOBYXMFSA-N 2 2 324.509 3.161 20 0 DGADLP CCOC(=O)[C@]1(C(C)C)CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450866982 434448443 /nfs/dbraw/zinc/44/84/43/434448443.db2.gz GOAMCNWPBMVVMM-PKOBYXMFSA-N 2 2 324.509 3.161 20 0 DGADLP COc1cc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(F)cn1 ZINC000287684114 434426009 /nfs/dbraw/zinc/42/60/09/434426009.db2.gz MUQMGJOXAYKSEZ-KBPBESRZSA-N 2 2 309.429 3.144 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000366479475 434427063 /nfs/dbraw/zinc/42/70/63/434427063.db2.gz GUBNTQPPUSBRCR-IBGZPJMESA-N 2 2 311.429 3.178 20 0 DGADLP Cc1ccc(-c2cnc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000366479475 434427071 /nfs/dbraw/zinc/42/70/71/434427071.db2.gz GUBNTQPPUSBRCR-IBGZPJMESA-N 2 2 311.429 3.178 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000366479475 434427075 /nfs/dbraw/zinc/42/70/75/434427075.db2.gz GUBNTQPPUSBRCR-IBGZPJMESA-N 2 2 311.429 3.178 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000366479475 434427085 /nfs/dbraw/zinc/42/70/85/434427085.db2.gz GUBNTQPPUSBRCR-IBGZPJMESA-N 2 2 311.429 3.178 20 0 DGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438194186 434432246 /nfs/dbraw/zinc/43/22/46/434432246.db2.gz YUCRACLBXYESIH-RTBURBONSA-N 2 2 304.478 3.055 20 0 DGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438194186 434432257 /nfs/dbraw/zinc/43/22/57/434432257.db2.gz YUCRACLBXYESIH-RTBURBONSA-N 2 2 304.478 3.055 20 0 DGADLP C[C@H]1CCc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000353790930 434436829 /nfs/dbraw/zinc/43/68/29/434436829.db2.gz FWUSJLCLXHQEAF-GJZGRUSLSA-N 2 2 319.518 3.186 20 0 DGADLP C[C@H]1CCc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2C1 ZINC000353790930 434436838 /nfs/dbraw/zinc/43/68/38/434436838.db2.gz FWUSJLCLXHQEAF-GJZGRUSLSA-N 2 2 319.518 3.186 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000423487869 434448662 /nfs/dbraw/zinc/44/86/62/434448662.db2.gz XZBMNEICXOKWQC-UZLBHIALSA-N 2 2 309.457 3.330 20 0 DGADLP Cc1cc(N)cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000423487869 434448670 /nfs/dbraw/zinc/44/86/70/434448670.db2.gz XZBMNEICXOKWQC-UZLBHIALSA-N 2 2 309.457 3.330 20 0 DGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532876 434441529 /nfs/dbraw/zinc/44/15/29/434441529.db2.gz FRZBZVWUCHEARC-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532876 434441540 /nfs/dbraw/zinc/44/15/40/434441540.db2.gz FRZBZVWUCHEARC-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532876 434441551 /nfs/dbraw/zinc/44/15/51/434441551.db2.gz FRZBZVWUCHEARC-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000366532876 434441559 /nfs/dbraw/zinc/44/15/59/434441559.db2.gz FRZBZVWUCHEARC-KRWDZBQOSA-N 2 2 305.491 3.328 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000397791397 434441936 /nfs/dbraw/zinc/44/19/36/434441936.db2.gz RXEOLZBAKKUUON-CQSZACIVSA-N 2 2 309.251 3.120 20 0 DGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423497247 434461099 /nfs/dbraw/zinc/46/10/99/434461099.db2.gz YNGOZGROSMBFNB-LSDHHAIUSA-N 2 2 316.445 3.333 20 0 DGADLP COC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000359978876 434461964 /nfs/dbraw/zinc/46/19/64/434461964.db2.gz ZAKJFOQMHZUHHX-UHFFFAOYSA-N 2 2 303.381 3.060 20 0 DGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423506241 434463606 /nfs/dbraw/zinc/46/36/06/434463606.db2.gz OZCLFTKBJXGJMD-KXBFYZLASA-N 2 2 312.461 3.100 20 0 DGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423506238 434466407 /nfs/dbraw/zinc/46/64/07/434466407.db2.gz OZCLFTKBJXGJMD-DNVCBOLYSA-N 2 2 312.461 3.100 20 0 DGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000359995024 434467053 /nfs/dbraw/zinc/46/70/53/434467053.db2.gz RFRVPSVZTDDKBW-KRWDZBQOSA-N 2 2 322.456 3.176 20 0 DGADLP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423521854 434470045 /nfs/dbraw/zinc/47/00/45/434470045.db2.gz LMFWINLZSNNZFT-LSDHHAIUSA-N 2 2 316.367 3.125 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995731 434471620 /nfs/dbraw/zinc/47/16/20/434471620.db2.gz DTOQGLXVFBIRLF-MJGOQNOKSA-N 3 2 315.505 3.143 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000359995731 434471628 /nfs/dbraw/zinc/47/16/28/434471628.db2.gz DTOQGLXVFBIRLF-MJGOQNOKSA-N 3 2 315.505 3.143 20 0 DGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)oc2cc1C ZINC000423521451 434472724 /nfs/dbraw/zinc/47/27/24/434472724.db2.gz QSLQXQWYBJZTNC-GOEBONIOSA-N 2 2 302.418 3.079 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000348758222 434480416 /nfs/dbraw/zinc/48/04/16/434480416.db2.gz ZPTAYNPDFLJJFW-RMJJICAUSA-N 2 2 316.489 3.210 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000348758222 434480425 /nfs/dbraw/zinc/48/04/25/434480425.db2.gz ZPTAYNPDFLJJFW-RMJJICAUSA-N 2 2 316.489 3.210 20 0 DGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000360030375 434483535 /nfs/dbraw/zinc/48/35/35/434483535.db2.gz WGUTUEAQIKPORW-RTBURBONSA-N 2 2 302.462 3.056 20 0 DGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCOCC1)C1CC1 ZINC000360030375 434483543 /nfs/dbraw/zinc/48/35/43/434483543.db2.gz WGUTUEAQIKPORW-RTBURBONSA-N 2 2 302.462 3.056 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000360035962 434486046 /nfs/dbraw/zinc/48/60/46/434486046.db2.gz DDPRJOBXNPONCV-SNRMKQJTSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000360035962 434486053 /nfs/dbraw/zinc/48/60/53/434486053.db2.gz DDPRJOBXNPONCV-SNRMKQJTSA-N 2 2 302.462 3.054 20 0 DGADLP FC1(F)CC(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450922659 434488051 /nfs/dbraw/zinc/48/80/51/434488051.db2.gz AMKXRPIOSBIRIH-AWEZNQCLSA-N 2 2 309.404 3.444 20 0 DGADLP FC1(F)CC(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450922659 434488059 /nfs/dbraw/zinc/48/80/59/434488059.db2.gz AMKXRPIOSBIRIH-AWEZNQCLSA-N 2 2 309.404 3.444 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000400765727 434489487 /nfs/dbraw/zinc/48/94/87/434489487.db2.gz ZEZASIIPOROVGZ-JXFKEZNVSA-N 2 2 310.441 3.496 20 0 DGADLP CC(C)C1CC([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423575992 434489525 /nfs/dbraw/zinc/48/95/25/434489525.db2.gz QTOIOAJCNGJCPE-UHFFFAOYSA-N 3 2 315.505 3.004 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000400765731 434491062 /nfs/dbraw/zinc/49/10/62/434491062.db2.gz ZEZASIIPOROVGZ-OXJNMPFZSA-N 2 2 310.441 3.496 20 0 DGADLP Clc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423579721 434493954 /nfs/dbraw/zinc/49/39/54/434493954.db2.gz WQAYYJNUVORBBX-ROUUACIJSA-N 2 2 316.832 3.007 20 0 DGADLP CC(C)(CO)[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000296081748 434501510 /nfs/dbraw/zinc/50/15/10/434501510.db2.gz RWOITGUFBWAJFM-MRXNPFEDSA-N 2 2 315.442 3.245 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000295952194 434449860 /nfs/dbraw/zinc/44/98/60/434449860.db2.gz LMDWEFDLDDYCGK-QFBILLFUSA-N 2 2 324.472 3.452 20 0 DGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1F ZINC000423493941 434454075 /nfs/dbraw/zinc/45/40/75/434454075.db2.gz RKFZBHOVNRPEDK-BBRMVZONSA-N 2 2 314.832 3.144 20 0 DGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC1(O)CCC1 ZINC000398119992 434454344 /nfs/dbraw/zinc/45/43/44/434454344.db2.gz QHUHDQPICHCKEP-SFHVURJKSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC1(O)CCC1 ZINC000398119992 434454356 /nfs/dbraw/zinc/45/43/56/434454356.db2.gz QHUHDQPICHCKEP-SFHVURJKSA-N 2 2 304.478 3.038 20 0 DGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423495012 434455771 /nfs/dbraw/zinc/45/57/71/434455771.db2.gz BGTSHDJWMAJNQJ-JRBPQWBISA-N 2 2 316.489 3.434 20 0 DGADLP C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353819892 434456441 /nfs/dbraw/zinc/45/64/41/434456441.db2.gz QDOIEVZCYVYQHJ-KDOFPFPSSA-N 2 2 321.428 3.408 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404366431 434511665 /nfs/dbraw/zinc/51/16/65/434511665.db2.gz PRNRTAOXQCZTPN-CZUORRHYSA-N 2 2 323.868 3.036 20 0 DGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404366431 434511671 /nfs/dbraw/zinc/51/16/71/434511671.db2.gz PRNRTAOXQCZTPN-CZUORRHYSA-N 2 2 323.868 3.036 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000404365408 434512862 /nfs/dbraw/zinc/51/28/62/434512862.db2.gz PIFNBAKNOPJIRP-JSGCOSHPSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000404365408 434512868 /nfs/dbraw/zinc/51/28/68/434512868.db2.gz PIFNBAKNOPJIRP-JSGCOSHPSA-N 2 2 305.447 3.352 20 0 DGADLP Cc1ccc(CCC[NH2+]Cc2cnn(Cc3ccccc3)c2)c[nH+]1 ZINC000353917717 434526357 /nfs/dbraw/zinc/52/63/57/434526357.db2.gz SEYSUSMTTIUACC-UHFFFAOYSA-N 2 2 320.440 3.357 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000353927501 434529731 /nfs/dbraw/zinc/52/97/31/434529731.db2.gz JLJMGDZIXAZXEJ-KRWDZBQOSA-N 3 2 303.494 3.424 20 0 DGADLP Cc1ccc(CCC[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000353927501 434529742 /nfs/dbraw/zinc/52/97/42/434529742.db2.gz JLJMGDZIXAZXEJ-KRWDZBQOSA-N 3 2 303.494 3.424 20 0 DGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCSCC1 ZINC000353927955 434532953 /nfs/dbraw/zinc/53/29/53/434532953.db2.gz JVDFMTRMVHUQPU-CQSZACIVSA-N 2 2 301.459 3.494 20 0 DGADLP Cc1ccc(CCC[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000353928877 434533629 /nfs/dbraw/zinc/53/36/29/434533629.db2.gz MCAXUSCUVUBQEV-IAGOWNOFSA-N 3 2 303.494 3.280 20 0 DGADLP CCn1c[nH+]cc1CNc1ccccc1OCC[NH+](CC)CC ZINC000417836724 434533811 /nfs/dbraw/zinc/53/38/11/434533811.db2.gz VBVOAXQYPNFRFX-UHFFFAOYSA-N 2 2 316.449 3.236 20 0 DGADLP FCCCCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451027010 434534877 /nfs/dbraw/zinc/53/48/77/434534877.db2.gz MFYSJLBXAGYLRI-INIZCTEOSA-N 2 2 321.440 3.275 20 0 DGADLP FCCCCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451027010 434534902 /nfs/dbraw/zinc/53/49/02/434534902.db2.gz MFYSJLBXAGYLRI-INIZCTEOSA-N 2 2 321.440 3.275 20 0 DGADLP Cc1ccc(CCC[NH2+]C[C@H](c2ccco2)N2CCCC2)c[nH+]1 ZINC000353945123 434537740 /nfs/dbraw/zinc/53/77/40/434537740.db2.gz NKYJUUWQAWQHAI-GOSISDBHSA-N 2 2 313.445 3.342 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2COC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000417885657 434543354 /nfs/dbraw/zinc/54/33/54/434543354.db2.gz HDVXSYYPSJRYII-ZWKOTPCHSA-N 2 2 302.462 3.289 20 0 DGADLP COc1ccc[nH+]c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000527862437 295142464 /nfs/dbraw/zinc/14/24/64/295142464.db2.gz GGMBEDOJZFNVSS-UHFFFAOYSA-N 2 2 317.458 3.476 20 0 DGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CC12CC2 ZINC000527872278 295143437 /nfs/dbraw/zinc/14/34/37/295143437.db2.gz SMLKSGDYFMNTOY-IRXDYDNUSA-N 2 2 306.494 3.047 20 0 DGADLP COc1ccc[nH+]c1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000527884112 295145526 /nfs/dbraw/zinc/14/55/26/295145526.db2.gz HAOJOZPLBAXSRF-MRXNPFEDSA-N 2 2 303.450 3.183 20 0 DGADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000527890496 295145720 /nfs/dbraw/zinc/14/57/20/295145720.db2.gz ILXKJSVUBIXPMB-ABAIWWIYSA-N 2 2 305.784 3.268 20 0 DGADLP CC1(C)C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CO1 ZINC000418076449 434579351 /nfs/dbraw/zinc/57/93/51/434579351.db2.gz JHHMWSAPIGUZFF-LBPRGKRZSA-N 2 2 305.809 3.183 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400333 295209170 /nfs/dbraw/zinc/20/91/70/295209170.db2.gz WGSDLKFKTOBPKB-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400333 295209171 /nfs/dbraw/zinc/20/91/71/295209171.db2.gz WGSDLKFKTOBPKB-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400333 295209173 /nfs/dbraw/zinc/20/91/73/295209173.db2.gz WGSDLKFKTOBPKB-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000528400333 295209175 /nfs/dbraw/zinc/20/91/75/295209175.db2.gz WGSDLKFKTOBPKB-CQSZACIVSA-N 2 2 303.475 3.378 20 0 DGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407507 295209493 /nfs/dbraw/zinc/20/94/93/295209493.db2.gz QCQPJEALXQQLNJ-GXTWGEPZSA-N 2 2 313.367 3.017 20 0 DGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407507 295209494 /nfs/dbraw/zinc/20/94/94/295209494.db2.gz QCQPJEALXQQLNJ-GXTWGEPZSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407507 295209495 /nfs/dbraw/zinc/20/94/95/295209495.db2.gz QCQPJEALXQQLNJ-GXTWGEPZSA-N 2 2 313.367 3.017 20 0 DGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)CC[C@H]21 ZINC000528407507 295209497 /nfs/dbraw/zinc/20/94/97/295209497.db2.gz QCQPJEALXQQLNJ-GXTWGEPZSA-N 2 2 313.367 3.017 20 0 DGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCCS2 ZINC000187699964 295271485 /nfs/dbraw/zinc/27/14/85/295271485.db2.gz NBKNYRJAEUNNQN-INIZCTEOSA-N 2 2 306.475 3.308 20 0 DGADLP COc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]c3cccc(C)n13)CC2 ZINC000439778905 434645427 /nfs/dbraw/zinc/64/54/27/434645427.db2.gz BPZHQHNRNOJURE-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP COc1ccc2c(c1)CC[N@H+](Cc1c[nH+]c3cccc(C)n13)CC2 ZINC000439778905 434645433 /nfs/dbraw/zinc/64/54/33/434645433.db2.gz BPZHQHNRNOJURE-UHFFFAOYSA-N 2 2 321.424 3.252 20 0 DGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3C(C)(C)C3(C)C)sc2C1 ZINC000349190213 434630750 /nfs/dbraw/zinc/63/07/50/434630750.db2.gz MXFGVBIXOSPOKL-UHFFFAOYSA-N 2 2 307.507 3.434 20 0 DGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C3C(C)(C)C3(C)C)sc2C1 ZINC000349190213 434630756 /nfs/dbraw/zinc/63/07/56/434630756.db2.gz MXFGVBIXOSPOKL-UHFFFAOYSA-N 2 2 307.507 3.434 20 0 DGADLP CC(C)n1cncc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000424130293 434631076 /nfs/dbraw/zinc/63/10/76/434631076.db2.gz HIZBVRNCXXFVNI-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP CC(C)n1cncc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000424130293 434631081 /nfs/dbraw/zinc/63/10/81/434631081.db2.gz HIZBVRNCXXFVNI-UHFFFAOYSA-N 2 2 312.461 3.002 20 0 DGADLP Fc1ccc(CC2C[NH+](Cc3cccc4[nH+]ccn43)C2)cc1F ZINC000459620884 434637036 /nfs/dbraw/zinc/63/70/36/434637036.db2.gz AWVLIKAUWNNSNK-UHFFFAOYSA-N 2 2 313.351 3.287 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354154958 434643740 /nfs/dbraw/zinc/64/37/40/434643740.db2.gz GFZBFUDRNMXLLG-VOBGVNJCSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354154958 434643747 /nfs/dbraw/zinc/64/37/47/434643747.db2.gz GFZBFUDRNMXLLG-VOBGVNJCSA-N 3 2 315.505 3.112 20 0 DGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641325 434644528 /nfs/dbraw/zinc/64/45/28/434644528.db2.gz MJPIOPGYDSPHLA-LRDDRELGSA-N 2 2 323.278 3.064 20 0 DGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000459641325 434644534 /nfs/dbraw/zinc/64/45/34/434644534.db2.gz MJPIOPGYDSPHLA-LRDDRELGSA-N 2 2 323.278 3.064 20 0 DGADLP CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](C)C(C)C ZINC000409447859 434603955 /nfs/dbraw/zinc/60/39/55/434603955.db2.gz XDTBPVSMUATZFV-IAGOWNOFSA-N 2 2 317.477 3.380 20 0 DGADLP CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](C)C(C)C ZINC000409447859 434603958 /nfs/dbraw/zinc/60/39/58/434603958.db2.gz XDTBPVSMUATZFV-IAGOWNOFSA-N 2 2 317.477 3.380 20 0 DGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccn(C)n1 ZINC000459747219 434694548 /nfs/dbraw/zinc/69/45/48/434694548.db2.gz JEJOMTJMIDYODB-RVKKMQEKSA-N 2 2 304.482 3.114 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nn(CC)c2ccccc12 ZINC000349374779 434695821 /nfs/dbraw/zinc/69/58/21/434695821.db2.gz ZIZDKUWSPCDRKJ-UHFFFAOYSA-N 2 2 302.466 3.220 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nn(CC)c2ccccc12 ZINC000349374779 434695825 /nfs/dbraw/zinc/69/58/25/434695825.db2.gz ZIZDKUWSPCDRKJ-UHFFFAOYSA-N 2 2 302.466 3.220 20 0 DGADLP CC(C)n1c[nH+]cc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000424191499 434654088 /nfs/dbraw/zinc/65/40/88/434654088.db2.gz NQWOUAGKYMFJCR-QGZVFWFLSA-N 2 2 304.482 3.351 20 0 DGADLP CC(C)n1c[nH+]cc1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000424191499 434654093 /nfs/dbraw/zinc/65/40/93/434654093.db2.gz NQWOUAGKYMFJCR-QGZVFWFLSA-N 2 2 304.482 3.351 20 0 DGADLP FC(F)n1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000349342994 434680439 /nfs/dbraw/zinc/68/04/39/434680439.db2.gz FXEMZLOOLYVKEW-UHFFFAOYSA-N 2 2 323.391 3.167 20 0 DGADLP C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000459736990 434686203 /nfs/dbraw/zinc/68/62/03/434686203.db2.gz AFXXMAOCEZIJGX-CYBMUJFWSA-N 2 2 321.465 3.407 20 0 DGADLP C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000459736990 434686209 /nfs/dbraw/zinc/68/62/09/434686209.db2.gz AFXXMAOCEZIJGX-CYBMUJFWSA-N 2 2 321.465 3.407 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccccc2)c1 ZINC000349361537 434689269 /nfs/dbraw/zinc/68/92/69/434689269.db2.gz BLNDRWHKNNVXMV-UHFFFAOYSA-N 2 2 314.477 3.095 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccccc2)c1 ZINC000349361537 434689277 /nfs/dbraw/zinc/68/92/77/434689277.db2.gz BLNDRWHKNNVXMV-UHFFFAOYSA-N 2 2 314.477 3.095 20 0 DGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2ccc(Cl)cc2n1C ZINC000349412346 434709133 /nfs/dbraw/zinc/70/91/33/434709133.db2.gz BWSOEHRPCQQVBX-UHFFFAOYSA-N 2 2 322.884 3.390 20 0 DGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2ccc(Cl)cc2n1C ZINC000349412346 434709144 /nfs/dbraw/zinc/70/91/44/434709144.db2.gz BWSOEHRPCQQVBX-UHFFFAOYSA-N 2 2 322.884 3.390 20 0 DGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c[nH+]1 ZINC000459773109 434713041 /nfs/dbraw/zinc/71/30/41/434713041.db2.gz ULGSSBATIQVNKC-RBUKOAKNSA-N 2 2 302.462 3.196 20 0 DGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c[nH+]1 ZINC000459773109 434713047 /nfs/dbraw/zinc/71/30/47/434713047.db2.gz ULGSSBATIQVNKC-RBUKOAKNSA-N 2 2 302.462 3.196 20 0 DGADLP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000360863270 434713868 /nfs/dbraw/zinc/71/38/68/434713868.db2.gz AHGIBONGQZCDDH-KSSFIOAISA-N 2 2 322.456 3.017 20 0 DGADLP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000360863270 434713875 /nfs/dbraw/zinc/71/38/75/434713875.db2.gz AHGIBONGQZCDDH-KSSFIOAISA-N 2 2 322.456 3.017 20 0 DGADLP Cc1nc(NCc2ccc(C[NH+]3CCCCCC3)cc2)cc[nH+]1 ZINC000360998989 434760244 /nfs/dbraw/zinc/76/02/44/434760244.db2.gz REUQWJIKUIBOCY-UHFFFAOYSA-N 2 2 310.445 3.195 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2c1 ZINC000411317897 434760894 /nfs/dbraw/zinc/76/08/94/434760894.db2.gz CSAOOPIODFLABI-FXAWDEMLSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000411317897 434760900 /nfs/dbraw/zinc/76/09/00/434760900.db2.gz CSAOOPIODFLABI-FXAWDEMLSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317897 434760905 /nfs/dbraw/zinc/76/09/05/434760905.db2.gz CSAOOPIODFLABI-FXAWDEMLSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1ccc2ncc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c1 ZINC000411317897 434760908 /nfs/dbraw/zinc/76/09/08/434760908.db2.gz CSAOOPIODFLABI-FXAWDEMLSA-N 2 2 309.457 3.459 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000411342252 434765800 /nfs/dbraw/zinc/76/58/00/434765800.db2.gz FIAOCTDOEPFVHV-GJZGRUSLSA-N 2 2 319.497 3.151 20 0 DGADLP Cc1nnc([C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000411342252 434765807 /nfs/dbraw/zinc/76/58/07/434765807.db2.gz FIAOCTDOEPFVHV-GJZGRUSLSA-N 2 2 319.497 3.151 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000443414948 434777563 /nfs/dbraw/zinc/77/75/63/434777563.db2.gz GXHIJSHXTHDZQT-IPMKNSEASA-N 2 2 306.494 3.023 20 0 DGADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000443414948 434777570 /nfs/dbraw/zinc/77/75/70/434777570.db2.gz GXHIJSHXTHDZQT-IPMKNSEASA-N 2 2 306.494 3.023 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000419371328 434781371 /nfs/dbraw/zinc/78/13/71/434781371.db2.gz ILAYQJGQPPYLNU-UHFFFAOYSA-N 2 2 312.498 3.162 20 0 DGADLP CCOC(=O)CC(C)(C)CC[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000419371328 434781375 /nfs/dbraw/zinc/78/13/75/434781375.db2.gz ILAYQJGQPPYLNU-UHFFFAOYSA-N 2 2 312.498 3.162 20 0 DGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)Cc2cnccn2)[NH+]2CCCC2)cc1 ZINC000453086391 434797013 /nfs/dbraw/zinc/79/70/13/434797013.db2.gz KYTXNSBBYDOYIY-FXAWDEMLSA-N 2 2 324.472 3.143 20 0 DGADLP C[N@H+](CCOC(C)(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445384061 434797060 /nfs/dbraw/zinc/79/70/60/434797060.db2.gz KWUKARQTZYQZSB-UHFFFAOYSA-N 2 2 310.404 3.150 20 0 DGADLP C[N@@H+](CCOC(C)(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445384061 434797064 /nfs/dbraw/zinc/79/70/64/434797064.db2.gz KWUKARQTZYQZSB-UHFFFAOYSA-N 2 2 310.404 3.150 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000361221591 434833515 /nfs/dbraw/zinc/83/35/15/434833515.db2.gz UPIBLHJDCJJUJI-LJQANCHMSA-N 2 2 316.489 3.461 20 0 DGADLP COC(C)(C)[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453224966 434833666 /nfs/dbraw/zinc/83/36/66/434833666.db2.gz CHCZNGNSGWHABH-GFCCVEGCSA-N 2 2 307.825 3.429 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C2CCC2)cc1 ZINC000453254192 434841428 /nfs/dbraw/zinc/84/14/28/434841428.db2.gz DGYYKKHQMFQGPZ-UXHICEINSA-N 2 2 316.489 3.273 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C2CCC2)cc1 ZINC000453254192 434841431 /nfs/dbraw/zinc/84/14/31/434841431.db2.gz DGYYKKHQMFQGPZ-UXHICEINSA-N 2 2 316.489 3.273 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000453263667 434844484 /nfs/dbraw/zinc/84/44/84/434844484.db2.gz LVAOTLLXFHDZHH-UXHICEINSA-N 2 2 316.489 3.354 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC000453263667 434844486 /nfs/dbraw/zinc/84/44/86/434844486.db2.gz LVAOTLLXFHDZHH-UXHICEINSA-N 2 2 316.489 3.354 20 0 DGADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268038 434844867 /nfs/dbraw/zinc/84/48/67/434844867.db2.gz PSVMZJFWFZGPDQ-QZTJIDSGSA-N 2 2 324.896 3.474 20 0 DGADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cl)cc1 ZINC000453268038 434844869 /nfs/dbraw/zinc/84/48/69/434844869.db2.gz PSVMZJFWFZGPDQ-QZTJIDSGSA-N 2 2 324.896 3.474 20 0 DGADLP C[C@H]([C@H](C)Nc1cc[nH+]c2c(Cl)cccc12)[NH+]1CCOCC1 ZINC000553042766 434877335 /nfs/dbraw/zinc/87/73/35/434877335.db2.gz BWUDCBDABDHYHD-QWHCGFSZSA-N 2 2 319.836 3.409 20 0 DGADLP Cc1ccccc1[C@H]([C@@H](C)Nc1cc[nH+]c2ccncc12)[NH+](C)C ZINC000573195144 434880295 /nfs/dbraw/zinc/88/02/95/434880295.db2.gz XLXKTKXWTIAHCU-QRWLVFNGSA-N 2 2 320.440 3.463 20 0 DGADLP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1)C1CCOCC1 ZINC000573228011 434883231 /nfs/dbraw/zinc/88/32/31/434883231.db2.gz NPCQQFSCDYTSRQ-RBUKOAKNSA-N 2 2 320.477 3.093 20 0 DGADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cs1 ZINC000573340823 434892416 /nfs/dbraw/zinc/89/24/16/434892416.db2.gz TVSBQRLUZISDCD-QGZVFWFLSA-N 2 2 324.453 3.115 20 0 DGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000521868807 434900097 /nfs/dbraw/zinc/90/00/97/434900097.db2.gz QYKPCKRTYWLFHT-MRXNPFEDSA-N 2 2 324.346 3.275 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950400 434913697 /nfs/dbraw/zinc/91/36/97/434913697.db2.gz DKNUTQCDZPMWII-DLBZAZTESA-N 2 2 310.445 3.116 20 0 DGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)[nH]1 ZINC000637950400 434913700 /nfs/dbraw/zinc/91/37/00/434913700.db2.gz DKNUTQCDZPMWII-DLBZAZTESA-N 2 2 310.445 3.116 20 0 DGADLP Nc1c(F)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638024634 434936125 /nfs/dbraw/zinc/93/61/25/434936125.db2.gz VECQNJPORGRJEZ-INIZCTEOSA-N 2 2 319.468 3.496 20 0 DGADLP Nc1c(F)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638024634 434936126 /nfs/dbraw/zinc/93/61/26/434936126.db2.gz VECQNJPORGRJEZ-INIZCTEOSA-N 2 2 319.468 3.496 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000462964482 434939194 /nfs/dbraw/zinc/93/91/94/434939194.db2.gz JHMONAQMQAWTKE-SLEUVZQESA-N 2 2 308.372 3.005 20 0 DGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000462964482 434939199 /nfs/dbraw/zinc/93/91/99/434939199.db2.gz JHMONAQMQAWTKE-SLEUVZQESA-N 2 2 308.372 3.005 20 0 DGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462948809 434939550 /nfs/dbraw/zinc/93/95/50/434939550.db2.gz UMYQBJXCEUHABT-BAESOJJISA-N 2 2 310.388 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462948809 434939554 /nfs/dbraw/zinc/93/95/54/434939554.db2.gz UMYQBJXCEUHABT-BAESOJJISA-N 2 2 310.388 3.107 20 0 DGADLP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998363 434941933 /nfs/dbraw/zinc/94/19/33/434941933.db2.gz RKMAWRIVEMXVSG-GOEBONIOSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998363 434941936 /nfs/dbraw/zinc/94/19/36/434941936.db2.gz RKMAWRIVEMXVSG-GOEBONIOSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998363 434941939 /nfs/dbraw/zinc/94/19/39/434941939.db2.gz RKMAWRIVEMXVSG-GOEBONIOSA-N 2 2 304.434 3.128 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000573998363 434941942 /nfs/dbraw/zinc/94/19/42/434941942.db2.gz RKMAWRIVEMXVSG-GOEBONIOSA-N 2 2 304.434 3.128 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463235867 434949154 /nfs/dbraw/zinc/94/91/54/434949154.db2.gz FWKDJJSSOXXURR-LJQANCHMSA-N 2 2 315.505 3.365 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463235867 434949158 /nfs/dbraw/zinc/94/91/58/434949158.db2.gz FWKDJJSSOXXURR-LJQANCHMSA-N 2 2 315.505 3.365 20 0 DGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081117 434949405 /nfs/dbraw/zinc/94/94/05/434949405.db2.gz HLHVHXLQVWEABH-SMDDNHRTSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081117 434949408 /nfs/dbraw/zinc/94/94/08/434949408.db2.gz HLHVHXLQVWEABH-SMDDNHRTSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081117 434949410 /nfs/dbraw/zinc/94/94/10/434949410.db2.gz HLHVHXLQVWEABH-SMDDNHRTSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000574081117 434949412 /nfs/dbraw/zinc/94/94/12/434949412.db2.gz HLHVHXLQVWEABH-SMDDNHRTSA-N 2 2 307.438 3.207 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@@H+]1C ZINC000638115781 434954444 /nfs/dbraw/zinc/95/44/44/434954444.db2.gz GLIOORMUHJGSSX-GXFFZTMASA-N 2 2 316.276 3.490 20 0 DGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2N)CC[N@H+]1C ZINC000638115781 434954449 /nfs/dbraw/zinc/95/44/49/434954449.db2.gz GLIOORMUHJGSSX-GXFFZTMASA-N 2 2 316.276 3.490 20 0 DGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115781 434954453 /nfs/dbraw/zinc/95/44/53/434954453.db2.gz GLIOORMUHJGSSX-GXFFZTMASA-N 2 2 316.276 3.490 20 0 DGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2N)CC[NH+]1C ZINC000638115781 434954455 /nfs/dbraw/zinc/95/44/55/434954455.db2.gz GLIOORMUHJGSSX-GXFFZTMASA-N 2 2 316.276 3.490 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110263 434955790 /nfs/dbraw/zinc/95/57/90/434955790.db2.gz KFUPCBZUWNDRRI-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110263 434955792 /nfs/dbraw/zinc/95/57/92/434955792.db2.gz KFUPCBZUWNDRRI-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110263 434955796 /nfs/dbraw/zinc/95/57/96/434955796.db2.gz KFUPCBZUWNDRRI-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cc(F)cc2OC)C[C@H]1C ZINC000638110263 434955800 /nfs/dbraw/zinc/95/58/00/434955800.db2.gz KFUPCBZUWNDRRI-UKRRQHHQSA-N 2 2 324.440 3.148 20 0 DGADLP FC(F)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183078 434973096 /nfs/dbraw/zinc/97/30/96/434973096.db2.gz SRQQMCBMBDRQLL-YOEHRIQHSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000638183078 434973099 /nfs/dbraw/zinc/97/30/99/434973099.db2.gz SRQQMCBMBDRQLL-YOEHRIQHSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000638183078 434973101 /nfs/dbraw/zinc/97/31/01/434973101.db2.gz SRQQMCBMBDRQLL-YOEHRIQHSA-N 2 2 321.415 3.468 20 0 DGADLP FC(F)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000638183078 434973103 /nfs/dbraw/zinc/97/31/03/434973103.db2.gz SRQQMCBMBDRQLL-YOEHRIQHSA-N 2 2 321.415 3.468 20 0 DGADLP c1ccc(N2CC[C@@H](C[N@@H+]3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978642 434921986 /nfs/dbraw/zinc/92/19/86/434921986.db2.gz QFVXMCCKMAKORE-AZUAARDMSA-N 2 2 313.489 3.073 20 0 DGADLP c1ccc(N2CC[C@@H](C[N@H+]3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000637978642 434921991 /nfs/dbraw/zinc/92/19/91/434921991.db2.gz QFVXMCCKMAKORE-AZUAARDMSA-N 2 2 313.489 3.073 20 0 DGADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554372482 434924960 /nfs/dbraw/zinc/92/49/60/434924960.db2.gz MDCWDSFFVWTWEQ-XIKOKIGWSA-N 2 2 304.409 3.112 20 0 DGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638370632 435015122 /nfs/dbraw/zinc/01/51/22/435015122.db2.gz DKWRJBYNVPBLCI-GJZGRUSLSA-N 2 2 301.434 3.285 20 0 DGADLP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000638386016 435018563 /nfs/dbraw/zinc/01/85/63/435018563.db2.gz NSXSDEHAVIODSN-IBGZPJMESA-N 2 2 320.452 3.195 20 0 DGADLP Fc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000638386949 435019781 /nfs/dbraw/zinc/01/97/81/435019781.db2.gz VPZFCSKAVPQECX-BJWYYQGGSA-N 2 2 302.437 3.426 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000638447062 435032184 /nfs/dbraw/zinc/03/21/84/435032184.db2.gz AUMAIIGWHNDLCK-CQSZACIVSA-N 2 2 305.447 3.046 20 0 DGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598007 434980305 /nfs/dbraw/zinc/98/03/05/434980305.db2.gz MMNOOOZZQORIDN-DZGCQCFKSA-N 2 2 322.415 3.293 20 0 DGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598007 434980309 /nfs/dbraw/zinc/98/03/09/434980309.db2.gz MMNOOOZZQORIDN-DZGCQCFKSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598007 434980313 /nfs/dbraw/zinc/98/03/13/434980313.db2.gz MMNOOOZZQORIDN-DZGCQCFKSA-N 2 2 322.415 3.293 20 0 DGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000555598007 434980317 /nfs/dbraw/zinc/98/03/17/434980317.db2.gz MMNOOOZZQORIDN-DZGCQCFKSA-N 2 2 322.415 3.293 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000556042740 434992268 /nfs/dbraw/zinc/99/22/68/434992268.db2.gz GYLATTWNJGVLPU-QAPCUYQASA-N 2 2 302.462 3.320 20 0 DGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000556042740 434992273 /nfs/dbraw/zinc/99/22/73/434992273.db2.gz GYLATTWNJGVLPU-QAPCUYQASA-N 2 2 302.462 3.320 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000556042741 434992415 /nfs/dbraw/zinc/99/24/15/434992415.db2.gz GYLATTWNJGVLPU-YJBOKZPZSA-N 2 2 302.462 3.320 20 0 DGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000556042741 434992421 /nfs/dbraw/zinc/99/24/21/434992421.db2.gz GYLATTWNJGVLPU-YJBOKZPZSA-N 2 2 302.462 3.320 20 0 DGADLP Cc1[nH+]cc(C[NH2+]Cc2cnc(C3CC3)o2)n1-c1ccccc1 ZINC000556176965 434997674 /nfs/dbraw/zinc/99/76/74/434997674.db2.gz CLXKQCFUZDQDCC-UHFFFAOYSA-N 2 2 308.385 3.336 20 0 DGADLP CC(C)c1nnc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000574757783 435001909 /nfs/dbraw/zinc/00/19/09/435001909.db2.gz MUPNVUADLPWBDF-HOCLYGCPSA-N 2 2 319.497 3.061 20 0 DGADLP COc1cc(C[NH2+]CCC[NH+]2CCCCC2)c(Cl)cc1O ZINC000638306480 435002150 /nfs/dbraw/zinc/00/21/50/435002150.db2.gz DAYDWYDYSHQAQO-UHFFFAOYSA-N 2 2 312.841 3.020 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)[NH+]2CCCC2)c1 ZINC000638317682 435003068 /nfs/dbraw/zinc/00/30/68/435003068.db2.gz QKNISSGYOUHGAU-COXVUDFISA-N 2 2 324.415 3.465 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)[NH+]2CCCC2)c1 ZINC000638317684 435003580 /nfs/dbraw/zinc/00/35/80/435003580.db2.gz QKNISSGYOUHGAU-JQFCIGGWSA-N 2 2 324.415 3.465 20 0 DGADLP CCc1ccc(/C=C\C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)o1 ZINC000492565738 435012769 /nfs/dbraw/zinc/01/27/69/435012769.db2.gz MRVSSDHVTQRCCV-WAYWQWQTSA-N 2 2 308.341 3.075 20 0 DGADLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@@H]2C1 ZINC000557644151 435061635 /nfs/dbraw/zinc/06/16/35/435061635.db2.gz QPMHLMHOVWIDLP-MLGOLLRUSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)[C@@H]2C1 ZINC000557644151 435061637 /nfs/dbraw/zinc/06/16/37/435061637.db2.gz QPMHLMHOVWIDLP-MLGOLLRUSA-N 2 2 301.821 3.419 20 0 DGADLP CC(C)n1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000557694979 435063677 /nfs/dbraw/zinc/06/36/77/435063677.db2.gz XDOFBDDRGXSXAS-HKUYNNGSSA-N 2 2 312.461 3.389 20 0 DGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000492872940 435064627 /nfs/dbraw/zinc/06/46/27/435064627.db2.gz ZRJOINXTDVQWSQ-KTKRTIGZSA-N 2 2 324.428 3.438 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000638670789 435068383 /nfs/dbraw/zinc/06/83/83/435068383.db2.gz KRDZKDXWKILDRA-CJNGLKHVSA-N 2 2 305.447 3.217 20 0 DGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000638670789 435068387 /nfs/dbraw/zinc/06/83/87/435068387.db2.gz KRDZKDXWKILDRA-CJNGLKHVSA-N 2 2 305.447 3.217 20 0 DGADLP CC[C@](C)(C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)OC ZINC000638697472 435071966 /nfs/dbraw/zinc/07/19/66/435071966.db2.gz DFHVHWDWMBNSMD-SJLPKXTDSA-N 2 2 301.434 3.109 20 0 DGADLP Nc1c(F)cccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638704533 435073942 /nfs/dbraw/zinc/07/39/42/435073942.db2.gz JOBPOWMNCIRBAN-KRWDZBQOSA-N 2 2 313.420 3.162 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400333 435087629 /nfs/dbraw/zinc/08/76/29/435087629.db2.gz MLOIBYRSFGVRCF-MJSXRHKHSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000558400333 435087632 /nfs/dbraw/zinc/08/76/32/435087632.db2.gz MLOIBYRSFGVRCF-MJSXRHKHSA-N 2 2 306.400 3.396 20 0 DGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000578519048 435089426 /nfs/dbraw/zinc/08/94/26/435089426.db2.gz MUMRWHUVKQLXQH-TZMCWYRMSA-N 2 2 317.458 3.130 20 0 DGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)cc1 ZINC000578519048 435089428 /nfs/dbraw/zinc/08/94/28/435089428.db2.gz MUMRWHUVKQLXQH-TZMCWYRMSA-N 2 2 317.458 3.130 20 0 DGADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638448481 435034160 /nfs/dbraw/zinc/03/41/60/435034160.db2.gz CZZLCGXNHPKJTN-RTBURBONSA-N 2 2 302.462 3.200 20 0 DGADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000638448481 435034162 /nfs/dbraw/zinc/03/41/62/435034162.db2.gz CZZLCGXNHPKJTN-RTBURBONSA-N 2 2 302.462 3.200 20 0 DGADLP Cc1ccc([C@@H](C[NH2+]C2CC(n3cccn3)C2)[NH+]2CCCC2)cc1 ZINC000638455225 435036112 /nfs/dbraw/zinc/03/61/12/435036112.db2.gz SXQYFXISKCLXBE-SOAGJPPSSA-N 2 2 324.472 3.322 20 0 DGADLP C[C@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000638460348 435037184 /nfs/dbraw/zinc/03/71/84/435037184.db2.gz XLNUFFRYWPQFRY-QGZVFWFLSA-N 3 2 321.553 3.351 20 0 DGADLP COCC1(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CCC1 ZINC000638788838 435089992 /nfs/dbraw/zinc/08/99/92/435089992.db2.gz YZNGJBJBJJTZBX-MRXNPFEDSA-N 2 2 317.477 3.013 20 0 DGADLP c1ccc(N2CC[C@H](C[NH2+]CCCCNc3cccc[nH+]3)C2)cc1 ZINC000638518407 435045640 /nfs/dbraw/zinc/04/56/40/435045640.db2.gz KJVMDQAOSUKVJK-GOSISDBHSA-N 2 2 324.472 3.390 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683410 435109166 /nfs/dbraw/zinc/10/91/66/435109166.db2.gz KLXLZMQDUHHBPZ-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000531683410 435109170 /nfs/dbraw/zinc/10/91/70/435109170.db2.gz KLXLZMQDUHHBPZ-VQTJNVASSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732030 435114942 /nfs/dbraw/zinc/11/49/42/435114942.db2.gz NGGDBZJOYSCCOF-MGPUTAFESA-N 2 2 313.489 3.318 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000531732030 435114948 /nfs/dbraw/zinc/11/49/48/435114948.db2.gz NGGDBZJOYSCCOF-MGPUTAFESA-N 2 2 313.489 3.318 20 0 DGADLP COc1ccc(C[C@H](C)C[NH2+]C2(C[NH+](C)C)CCC2)cc1F ZINC000467539005 435125264 /nfs/dbraw/zinc/12/52/64/435125264.db2.gz CEMMJRWXJABQFB-AWEZNQCLSA-N 2 2 308.441 3.087 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C(C)C)cc1 ZINC000531945110 435128815 /nfs/dbraw/zinc/12/88/15/435128815.db2.gz SOMPIXJUBCVRKH-MDASCCDHSA-N 2 2 302.462 3.465 20 0 DGADLP COc1ccc([C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C(C)C)cc1 ZINC000531945110 435128818 /nfs/dbraw/zinc/12/88/18/435128818.db2.gz SOMPIXJUBCVRKH-MDASCCDHSA-N 2 2 302.462 3.465 20 0 DGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc(CO)cc1)[NH+](C)C ZINC000639091886 435150498 /nfs/dbraw/zinc/15/04/98/435150498.db2.gz SKVSGIGSNPYANB-OXJNMPFZSA-N 2 2 312.457 3.268 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000579267163 435141620 /nfs/dbraw/zinc/14/16/20/435141620.db2.gz XMSITDINEQRGHD-BLLLJJGKSA-N 2 2 308.853 3.311 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000579267163 435141623 /nfs/dbraw/zinc/14/16/23/435141623.db2.gz XMSITDINEQRGHD-BLLLJJGKSA-N 2 2 308.853 3.311 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000639177305 435184572 /nfs/dbraw/zinc/18/45/72/435184572.db2.gz RNTZUGTXXKJUMG-QGZVFWFLSA-N 2 2 315.465 3.042 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000639177305 435184576 /nfs/dbraw/zinc/18/45/76/435184576.db2.gz RNTZUGTXXKJUMG-QGZVFWFLSA-N 2 2 315.465 3.042 20 0 DGADLP CCC[C@@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639180345 435185673 /nfs/dbraw/zinc/18/56/73/435185673.db2.gz XURPBPLJSLUIJL-IBGZPJMESA-N 2 2 304.478 3.398 20 0 DGADLP CCC[C@@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC000639180345 435185678 /nfs/dbraw/zinc/18/56/78/435185678.db2.gz XURPBPLJSLUIJL-IBGZPJMESA-N 2 2 304.478 3.398 20 0 DGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)CC2CCSCC2)CC1 ZINC000639179569 435187457 /nfs/dbraw/zinc/18/74/57/435187457.db2.gz UCAXHDWHWPAFEF-UHFFFAOYSA-N 2 2 308.491 3.319 20 0 DGADLP C[NH+]1CCC([N@H+](Cc2ccco2)CC2CCSCC2)CC1 ZINC000639179569 435187461 /nfs/dbraw/zinc/18/74/61/435187461.db2.gz UCAXHDWHWPAFEF-UHFFFAOYSA-N 2 2 308.491 3.319 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3ccccc3OC1)CCC2 ZINC000493770975 435190972 /nfs/dbraw/zinc/19/09/72/435190972.db2.gz XKLZQDQTEIXPGC-IAGOWNOFSA-N 2 2 311.429 3.052 20 0 DGADLP CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000475667429 435207622 /nfs/dbraw/zinc/20/76/22/435207622.db2.gz GOBNNAJWUJXVHW-MOPGFXCFSA-N 2 2 318.505 3.428 20 0 DGADLP CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475667429 435207625 /nfs/dbraw/zinc/20/76/25/435207625.db2.gz GOBNNAJWUJXVHW-MOPGFXCFSA-N 2 2 318.505 3.428 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CCC[C@H]2CCO2)CCC1 ZINC000639226611 435205405 /nfs/dbraw/zinc/20/54/05/435205405.db2.gz HBFUJCKHUVKGFN-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CCC[C@H]2CCO2)CCC1 ZINC000639226611 435205409 /nfs/dbraw/zinc/20/54/09/435205409.db2.gz HBFUJCKHUVKGFN-SFHVURJKSA-N 2 2 302.462 3.200 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000532248838 435151918 /nfs/dbraw/zinc/15/19/18/435151918.db2.gz DVTQXDQZUKTULB-WMQCIHAUSA-N 2 2 324.468 3.139 20 0 DGADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000532248838 435151922 /nfs/dbraw/zinc/15/19/22/435151922.db2.gz DVTQXDQZUKTULB-WMQCIHAUSA-N 2 2 324.468 3.139 20 0 DGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000532240589 435152269 /nfs/dbraw/zinc/15/22/69/435152269.db2.gz DIBVWGLCUZPKFK-WBVHZDCISA-N 2 2 300.446 3.364 20 0 DGADLP C[N@H+](CC1CCCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560160275 435153010 /nfs/dbraw/zinc/15/30/10/435153010.db2.gz YZTJLSZAIMIULX-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@@H+](CC1CCCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560160275 435153015 /nfs/dbraw/zinc/15/30/15/435153015.db2.gz YZTJLSZAIMIULX-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+](CC1CCCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560160275 435153017 /nfs/dbraw/zinc/15/30/17/435153017.db2.gz YZTJLSZAIMIULX-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+](CC1CCCC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560160275 435153021 /nfs/dbraw/zinc/15/30/21/435153021.db2.gz YZTJLSZAIMIULX-HXUWFJFHSA-N 2 2 316.489 3.400 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000579473736 435157629 /nfs/dbraw/zinc/15/76/29/435157629.db2.gz JKKWNBYPIARGJM-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Br ZINC000579473736 435157633 /nfs/dbraw/zinc/15/76/33/435157633.db2.gz JKKWNBYPIARGJM-MRXNPFEDSA-N 2 2 323.278 3.333 20 0 DGADLP c1c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)onc1C1CC1 ZINC000639118652 435161944 /nfs/dbraw/zinc/16/19/44/435161944.db2.gz PJYKHVFYHAQBTF-INIZCTEOSA-N 2 2 311.429 3.164 20 0 DGADLP c1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)onc1C1CC1 ZINC000639118652 435161948 /nfs/dbraw/zinc/16/19/48/435161948.db2.gz PJYKHVFYHAQBTF-INIZCTEOSA-N 2 2 311.429 3.164 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cnn(Cc2ccccc2)c1 ZINC000532477043 435169023 /nfs/dbraw/zinc/16/90/23/435169023.db2.gz JWGGINLJBZTQRV-QGZVFWFLSA-N 2 2 323.444 3.259 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507079 435172428 /nfs/dbraw/zinc/17/24/28/435172428.db2.gz VOBXZKPRVAYGCZ-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000532507079 435172433 /nfs/dbraw/zinc/17/24/33/435172433.db2.gz VOBXZKPRVAYGCZ-APWZRJJASA-N 2 2 304.478 3.302 20 0 DGADLP CC[C@H](C)[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155486 435175946 /nfs/dbraw/zinc/17/59/46/435175946.db2.gz QKKLGFGMZZTTRJ-JZXOWHBKSA-N 2 2 319.493 3.460 20 0 DGADLP CC[C@H](C)[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155486 435175947 /nfs/dbraw/zinc/17/59/47/435175947.db2.gz QKKLGFGMZZTTRJ-JZXOWHBKSA-N 2 2 319.493 3.460 20 0 DGADLP CC[C@H](C)[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155487 435176327 /nfs/dbraw/zinc/17/63/27/435176327.db2.gz QKKLGFGMZZTTRJ-LZLYRXPVSA-N 2 2 319.493 3.460 20 0 DGADLP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639155487 435176330 /nfs/dbraw/zinc/17/63/30/435176330.db2.gz QKKLGFGMZZTTRJ-LZLYRXPVSA-N 2 2 319.493 3.460 20 0 DGADLP CCC[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153670 435177453 /nfs/dbraw/zinc/17/74/53/435177453.db2.gz IAZLXKDJXSGLNX-DOTOQJQBSA-N 2 2 305.466 3.214 20 0 DGADLP CCC[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)OC ZINC000639153670 435177456 /nfs/dbraw/zinc/17/74/56/435177456.db2.gz IAZLXKDJXSGLNX-DOTOQJQBSA-N 2 2 305.466 3.214 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000639257139 435214360 /nfs/dbraw/zinc/21/43/60/435214360.db2.gz JKMRVSDENYFCKT-QFBILLFUSA-N 2 2 311.429 3.441 20 0 DGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000639257139 435214368 /nfs/dbraw/zinc/21/43/68/435214368.db2.gz JKMRVSDENYFCKT-QFBILLFUSA-N 2 2 311.429 3.441 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639261471 435217537 /nfs/dbraw/zinc/21/75/37/435217537.db2.gz KTNSILORGDFDQO-FXAWDEMLSA-N 2 2 324.472 3.361 20 0 DGADLP CCn1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639261471 435217545 /nfs/dbraw/zinc/21/75/45/435217545.db2.gz KTNSILORGDFDQO-FXAWDEMLSA-N 2 2 324.472 3.361 20 0 DGADLP Cc1nnc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000580413875 435231038 /nfs/dbraw/zinc/23/10/38/435231038.db2.gz AXPCUFMGWVDIOT-AWEZNQCLSA-N 2 2 314.433 3.215 20 0 DGADLP C[C@]1([NH2+]Cc2cccc(F)c2N)CC[N@H+](Cc2ccccc2)C1 ZINC000639294016 435233212 /nfs/dbraw/zinc/23/32/12/435233212.db2.gz CXHMQQXYEWPQIZ-IBGZPJMESA-N 2 2 313.420 3.162 20 0 DGADLP C[C@]1([NH2+]Cc2cccc(F)c2N)CC[N@@H+](Cc2ccccc2)C1 ZINC000639294016 435233215 /nfs/dbraw/zinc/23/32/15/435233215.db2.gz CXHMQQXYEWPQIZ-IBGZPJMESA-N 2 2 313.420 3.162 20 0 DGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC(C3CC3)C3CC3)c12 ZINC000533571156 435248473 /nfs/dbraw/zinc/24/84/73/435248473.db2.gz SOXJVKJOZCHOAW-UHFFFAOYSA-N 2 2 320.400 3.059 20 0 DGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256923 /nfs/dbraw/zinc/25/69/23/435256923.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256927 /nfs/dbraw/zinc/25/69/27/435256927.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256932 /nfs/dbraw/zinc/25/69/32/435256932.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 2 315.505 3.143 20 0 DGADLP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000583922198 435256936 /nfs/dbraw/zinc/25/69/36/435256936.db2.gz BLWIAMNROZCQOB-RLLQIKCJSA-N 3 2 315.505 3.143 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533868254 435260481 /nfs/dbraw/zinc/26/04/81/435260481.db2.gz VWZAISFSJVNYCR-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533868254 435260489 /nfs/dbraw/zinc/26/04/89/435260489.db2.gz VWZAISFSJVNYCR-MRXNPFEDSA-N 2 2 322.412 3.373 20 0 DGADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000422749206 298398852 /nfs/dbraw/zinc/39/88/52/298398852.db2.gz XZXNEODYLSKSEF-CVEARBPZSA-N 3 2 309.523 3.238 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067243 435265039 /nfs/dbraw/zinc/26/50/39/435265039.db2.gz YLASZWRELOFWNM-HKUYNNGSSA-N 2 2 310.441 3.293 20 0 DGADLP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067243 435265044 /nfs/dbraw/zinc/26/50/44/435265044.db2.gz YLASZWRELOFWNM-HKUYNNGSSA-N 2 2 310.441 3.293 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065371 435265245 /nfs/dbraw/zinc/26/52/45/435265245.db2.gz AOJJOXCHHBETCS-ZLDLUXBVSA-N 2 2 314.351 3.330 20 0 DGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065371 435265250 /nfs/dbraw/zinc/26/52/50/435265250.db2.gz AOJJOXCHHBETCS-ZLDLUXBVSA-N 2 2 314.351 3.330 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000639374749 435270839 /nfs/dbraw/zinc/27/08/39/435270839.db2.gz KROBWLQGPRODTR-UHFFFAOYSA-N 2 2 310.445 3.080 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000639375749 435272031 /nfs/dbraw/zinc/27/20/31/435272031.db2.gz CUPWOXZERBBZPK-UHFFFAOYSA-N 2 2 316.493 3.138 20 0 DGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000470359651 298429566 /nfs/dbraw/zinc/42/95/66/298429566.db2.gz RJOHGRCGWFDUDN-HUUCEWRRSA-N 2 2 310.869 3.144 20 0 DGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCO[C@@H](CC)C2)[NH+](C)C)cc1 ZINC000648401742 435286930 /nfs/dbraw/zinc/28/69/30/435286930.db2.gz NBQQSQAGKPUQPN-QYZOEREBSA-N 2 2 304.478 3.399 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1CCO[C@H](CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC000648412731 435290713 /nfs/dbraw/zinc/29/07/13/435290713.db2.gz XAMNTKPRZKNGBM-SLFFLAALSA-N 2 2 316.489 3.371 20 0 DGADLP CC[C@@H](C[NH2+][C@H]1CCO[C@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC000648412731 435290717 /nfs/dbraw/zinc/29/07/17/435290717.db2.gz XAMNTKPRZKNGBM-SLFFLAALSA-N 2 2 316.489 3.371 20 0 DGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648441984 435300830 /nfs/dbraw/zinc/30/08/30/435300830.db2.gz ZWBRQOMRGSHEGB-HUUCEWRRSA-N 2 2 301.434 3.146 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000639359307 435263139 /nfs/dbraw/zinc/26/31/39/435263139.db2.gz KTMMEMGCXYPACC-KDOFPFPSSA-N 2 2 313.445 3.149 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000639359307 435263143 /nfs/dbraw/zinc/26/31/43/435263143.db2.gz KTMMEMGCXYPACC-KDOFPFPSSA-N 2 2 313.445 3.149 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000639359309 435263688 /nfs/dbraw/zinc/26/36/88/435263688.db2.gz KTMMEMGCXYPACC-RDTXWAMCSA-N 2 2 313.445 3.149 20 0 DGADLP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000639359309 435263691 /nfs/dbraw/zinc/26/36/91/435263691.db2.gz KTMMEMGCXYPACC-RDTXWAMCSA-N 2 2 313.445 3.149 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@H]1c1ccccc1F ZINC000567471929 435320490 /nfs/dbraw/zinc/32/04/90/435320490.db2.gz ZZKIEIHFVQXJRU-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1c1ccccc1F ZINC000567471929 435320494 /nfs/dbraw/zinc/32/04/94/435320494.db2.gz ZZKIEIHFVQXJRU-PKOBYXMFSA-N 2 2 321.399 3.301 20 0 DGADLP COC1CC[NH+](CC[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000648500361 435322298 /nfs/dbraw/zinc/32/22/98/435322298.db2.gz ZYLWDSFQUWLALA-HNNXBMFYSA-N 2 2 316.445 3.064 20 0 DGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(OC)c3ccccc23)CC1 ZINC000639510027 435324944 /nfs/dbraw/zinc/32/49/44/435324944.db2.gz UCPOUSRKBWRMCK-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(OC)c3ccccc23)CC1 ZINC000639510027 435324945 /nfs/dbraw/zinc/32/49/45/435324945.db2.gz UCPOUSRKBWRMCK-UHFFFAOYSA-N 2 2 313.445 3.160 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000511626475 435325933 /nfs/dbraw/zinc/32/59/33/435325933.db2.gz JAUXNUBHVPLQAX-IPJVVFLOSA-N 2 2 314.473 3.451 20 0 DGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000511626475 435325940 /nfs/dbraw/zinc/32/59/40/435325940.db2.gz JAUXNUBHVPLQAX-IPJVVFLOSA-N 2 2 314.473 3.451 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC3(CCCO3)CC1)CCC2 ZINC000567556320 435327578 /nfs/dbraw/zinc/32/75/78/435327578.db2.gz VKTVWEPQRFCYMW-KLHKWILBSA-N 2 2 303.450 3.150 20 0 DGADLP Fc1cc(F)c(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1F ZINC000643465986 435332464 /nfs/dbraw/zinc/33/24/64/435332464.db2.gz HGHKDKLTAQNSEJ-CUOATXAZSA-N 2 2 316.342 3.253 20 0 DGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000643467669 435332597 /nfs/dbraw/zinc/33/25/97/435332597.db2.gz OOTNRSDOSGTRJT-LAUBAEHRSA-N 2 2 324.468 3.253 20 0 DGADLP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)CCO2 ZINC000643482453 435335231 /nfs/dbraw/zinc/33/52/31/435335231.db2.gz OOERNMQZFOIKSS-IKGGRYGDSA-N 2 2 304.434 3.029 20 0 DGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000643501161 435337201 /nfs/dbraw/zinc/33/72/01/435337201.db2.gz YMJJKWZHULQATH-DGCLKSJQSA-N 2 2 314.376 3.089 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)CCC(C)(C)C ZINC000479533807 435338498 /nfs/dbraw/zinc/33/84/98/435338498.db2.gz UEFDHLSCNYXGJV-NEWSRXKRSA-N 2 2 318.505 3.284 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)CCC(C)(C)C ZINC000479533807 435338503 /nfs/dbraw/zinc/33/85/03/435338503.db2.gz UEFDHLSCNYXGJV-NEWSRXKRSA-N 2 2 318.505 3.284 20 0 DGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501516 435339099 /nfs/dbraw/zinc/33/90/99/435339099.db2.gz JIXFCUABBVXULM-WFASDCNBSA-N 2 2 316.474 3.306 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCS2 ZINC000643502412 435339999 /nfs/dbraw/zinc/33/99/99/435339999.db2.gz FPVLGYSZJOVMFU-XJKSGUPXSA-N 2 2 306.475 3.354 20 0 DGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000639552014 435340951 /nfs/dbraw/zinc/34/09/51/435340951.db2.gz QZDKUKZTKRDJGZ-UHFFFAOYSA-N 2 2 310.401 3.369 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600398 435341820 /nfs/dbraw/zinc/34/18/20/435341820.db2.gz LVAQPIPCXMSGPL-NFAWXSAZSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000479600398 435341827 /nfs/dbraw/zinc/34/18/27/435341827.db2.gz LVAQPIPCXMSGPL-NFAWXSAZSA-N 2 2 300.368 3.437 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1sccc1Br ZINC000643525813 435343491 /nfs/dbraw/zinc/34/34/91/435343491.db2.gz QJFGDNWKNRDQTG-OPRDCNLKSA-N 2 2 303.269 3.302 20 0 DGADLP C[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000643527587 435344407 /nfs/dbraw/zinc/34/44/07/435344407.db2.gz OUWZVRWTJQWTAJ-MLGOLLRUSA-N 2 2 319.246 3.475 20 0 DGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000643537675 435346682 /nfs/dbraw/zinc/34/66/82/435346682.db2.gz NZXMWWADPVEXSL-GVXVVHGQSA-N 2 2 300.830 3.167 20 0 DGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000643538594 435348906 /nfs/dbraw/zinc/34/89/06/435348906.db2.gz OOLWKKQOUZFXNQ-OBJOEFQTSA-N 2 2 320.330 3.326 20 0 DGADLP CC(C)[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000643544652 435349637 /nfs/dbraw/zinc/34/96/37/435349637.db2.gz QCDRCKBWEYRKJD-LJQANCHMSA-N 3 2 315.505 3.004 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000512542822 435360328 /nfs/dbraw/zinc/36/03/28/435360328.db2.gz VLWSKZCNFXTFAU-NBVRZTHBSA-N 2 2 314.473 3.478 20 0 DGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000512542822 435360333 /nfs/dbraw/zinc/36/03/33/435360333.db2.gz VLWSKZCNFXTFAU-NBVRZTHBSA-N 2 2 314.473 3.478 20 0 DGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000480048551 435361898 /nfs/dbraw/zinc/36/18/98/435361898.db2.gz NNHXFVZUIJLECQ-WMZOPIPTSA-N 2 2 322.880 3.274 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c1 ZINC000480030749 435361922 /nfs/dbraw/zinc/36/19/22/435361922.db2.gz RVSBDYFMJDTMLQ-MSOLQXFVSA-N 2 2 304.478 3.311 20 0 DGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000648728732 435401830 /nfs/dbraw/zinc/40/18/30/435401830.db2.gz MRDFSLYBAFIZQL-AWEZNQCLSA-N 2 2 323.400 3.221 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000536837798 435412806 /nfs/dbraw/zinc/41/28/06/435412806.db2.gz IDNWTLXHIBPNTI-IMBTUZDBSA-N 2 2 302.462 3.225 20 0 DGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000536837798 435412812 /nfs/dbraw/zinc/41/28/12/435412812.db2.gz IDNWTLXHIBPNTI-IMBTUZDBSA-N 2 2 302.462 3.225 20 0 DGADLP COc1cccc2c1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000648769759 435413806 /nfs/dbraw/zinc/41/38/06/435413806.db2.gz ATWCDOLCCYRQHG-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP COc1cccc2c1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000648769759 435413810 /nfs/dbraw/zinc/41/38/10/435413810.db2.gz ATWCDOLCCYRQHG-UHFFFAOYSA-N 2 2 319.408 3.439 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000480268799 435373446 /nfs/dbraw/zinc/37/34/46/435373446.db2.gz UYVDEAFHDATEHB-QLFBSQMISA-N 2 2 310.507 3.460 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000480268799 435373450 /nfs/dbraw/zinc/37/34/50/435373450.db2.gz UYVDEAFHDATEHB-QLFBSQMISA-N 2 2 310.507 3.460 20 0 DGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000643894896 435378575 /nfs/dbraw/zinc/37/85/75/435378575.db2.gz JXSDHDUENKBXNC-VXGBXAGGSA-N 2 2 304.768 3.301 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000513379056 435387237 /nfs/dbraw/zinc/38/72/37/435387237.db2.gz WJAVXLQKYBQXOY-UAOJZALGSA-N 2 2 314.473 3.089 20 0 DGADLP COc1cccc(C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000513379056 435387243 /nfs/dbraw/zinc/38/72/43/435387243.db2.gz WJAVXLQKYBQXOY-UAOJZALGSA-N 2 2 314.473 3.089 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664300 435387570 /nfs/dbraw/zinc/38/75/70/435387570.db2.gz ZIIYFPKLGHDYBM-ACJLOTCBSA-N 2 2 308.416 3.360 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000480664300 435387578 /nfs/dbraw/zinc/38/75/78/435387578.db2.gz ZIIYFPKLGHDYBM-ACJLOTCBSA-N 2 2 308.416 3.360 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC2(CCC2)C1 ZINC000536661481 435397596 /nfs/dbraw/zinc/39/75/96/435397596.db2.gz SWJWWEXFIQQVQB-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC2(CCC2)C1 ZINC000536661481 435397600 /nfs/dbraw/zinc/39/76/00/435397600.db2.gz SWJWWEXFIQQVQB-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCOC2(CCC2)C1 ZINC000536661481 435397605 /nfs/dbraw/zinc/39/76/05/435397605.db2.gz SWJWWEXFIQQVQB-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCOC2(CCC2)C1 ZINC000536661481 435397609 /nfs/dbraw/zinc/39/76/09/435397609.db2.gz SWJWWEXFIQQVQB-UHFFFAOYSA-N 2 2 316.489 3.400 20 0 DGADLP CC[NH+](CC)CCC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639918574 435460035 /nfs/dbraw/zinc/46/00/35/435460035.db2.gz LSFJLCGSMKTZJD-OAHLLOKOSA-N 2 2 318.383 3.060 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000639983877 435479952 /nfs/dbraw/zinc/47/99/52/435479952.db2.gz NLDCSCNDQZLWAK-UHFFFAOYSA-N 2 2 300.446 3.210 20 0 DGADLP COc1cc(F)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000516187443 435520222 /nfs/dbraw/zinc/52/02/22/435520222.db2.gz QTYVKGCRFAJOPP-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(F)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000516187443 435520226 /nfs/dbraw/zinc/52/02/26/435520226.db2.gz QTYVKGCRFAJOPP-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(F)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000516187443 435520230 /nfs/dbraw/zinc/52/02/30/435520230.db2.gz QTYVKGCRFAJOPP-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP COc1cc(F)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000516187443 435520233 /nfs/dbraw/zinc/52/02/33/435520233.db2.gz QTYVKGCRFAJOPP-OAHLLOKOSA-N 2 2 324.440 3.149 20 0 DGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000483686659 435528842 /nfs/dbraw/zinc/52/88/42/435528842.db2.gz AYBFTZJWVCTZME-KANFNMMFSA-N 2 2 302.462 3.145 20 0 DGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000483686659 435528845 /nfs/dbraw/zinc/52/88/45/435528845.db2.gz AYBFTZJWVCTZME-KANFNMMFSA-N 2 2 302.462 3.145 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000539050668 435536154 /nfs/dbraw/zinc/53/61/54/435536154.db2.gz KIJYCVQQTNYQOS-DFQSSKMNSA-N 2 2 316.489 3.346 20 0 DGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000539050668 435536157 /nfs/dbraw/zinc/53/61/57/435536157.db2.gz KIJYCVQQTNYQOS-DFQSSKMNSA-N 2 2 316.489 3.346 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000484513860 435546947 /nfs/dbraw/zinc/54/69/47/435546947.db2.gz VSMVYRNNETYRJJ-WQGACYEGSA-N 2 2 308.853 3.482 20 0 DGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000484513860 435546949 /nfs/dbraw/zinc/54/69/49/435546949.db2.gz VSMVYRNNETYRJJ-WQGACYEGSA-N 2 2 308.853 3.482 20 0 DGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000569603213 435547274 /nfs/dbraw/zinc/54/72/74/435547274.db2.gz YAYNVLALRZKTGW-KBXCAEBGSA-N 2 2 312.417 3.231 20 0 DGADLP c1cn([C@@H]2CCCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)c[nH+]1 ZINC000649268074 435553517 /nfs/dbraw/zinc/55/35/17/435553517.db2.gz ZGYAITXUKFJWIU-CYBMUJFWSA-N 2 2 318.384 3.149 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204335 435591862 /nfs/dbraw/zinc/59/18/62/435591862.db2.gz DBIGXZRRRHQCLM-QZTJIDSGSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000645204335 435591863 /nfs/dbraw/zinc/59/18/63/435591863.db2.gz DBIGXZRRRHQCLM-QZTJIDSGSA-N 2 2 302.462 3.054 20 0 DGADLP c1cc2c(nc[nH+]c2Nc2cccc(CC[NH+]3CCCC3)c2)[nH]1 ZINC000539876173 435576884 /nfs/dbraw/zinc/57/68/84/435576884.db2.gz GLTRDLWSLFYPDU-UHFFFAOYSA-N 2 2 307.401 3.340 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000649408885 435580705 /nfs/dbraw/zinc/58/07/05/435580705.db2.gz CFSBBVXXUKVJBM-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000649408885 435580711 /nfs/dbraw/zinc/58/07/11/435580711.db2.gz CFSBBVXXUKVJBM-UHFFFAOYSA-N 2 2 311.429 3.366 20 0 DGADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645162940 435580770 /nfs/dbraw/zinc/58/07/70/435580770.db2.gz URUFHMIFUKGIOO-CQSZACIVSA-N 2 2 324.432 3.175 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1n1cc[nH+]c1 ZINC000539928369 435581494 /nfs/dbraw/zinc/58/14/94/435581494.db2.gz YOHSXODRVMVZRN-IUODEOHRSA-N 2 2 302.447 3.300 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1n1cc[nH+]c1 ZINC000539928369 435581499 /nfs/dbraw/zinc/58/14/99/435581499.db2.gz YOHSXODRVMVZRN-IUODEOHRSA-N 2 2 302.447 3.300 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000569544934 435540850 /nfs/dbraw/zinc/54/08/50/435540850.db2.gz CYLHWBXIGAZOCF-QBBMROGASA-N 2 2 320.481 3.257 20 0 DGADLP Cc1noc(C2CCC([NH2+]C[C@@H](C)[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000569544934 435540853 /nfs/dbraw/zinc/54/08/53/435540853.db2.gz CYLHWBXIGAZOCF-QBBMROGASA-N 2 2 320.481 3.257 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000649507325 435609818 /nfs/dbraw/zinc/60/98/18/435609818.db2.gz QANRRHMXHMLQEZ-GOSISDBHSA-N 2 2 317.477 3.319 20 0 DGADLP CC(C)Oc1cc[nH+]c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000649507326 435611155 /nfs/dbraw/zinc/61/11/55/435611155.db2.gz QANRRHMXHMLQEZ-SFHVURJKSA-N 2 2 317.477 3.319 20 0 DGADLP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000518363639 435635786 /nfs/dbraw/zinc/63/57/86/435635786.db2.gz BGAYXOUCRYWUAG-YDXUJSMASA-N 2 2 304.478 3.209 20 0 DGADLP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214682 435595051 /nfs/dbraw/zinc/59/50/51/435595051.db2.gz WVKFVAKUIYSGOQ-POAQFYNOSA-N 2 2 316.489 3.180 20 0 DGADLP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645214682 435595053 /nfs/dbraw/zinc/59/50/53/435595053.db2.gz WVKFVAKUIYSGOQ-POAQFYNOSA-N 2 2 316.489 3.180 20 0 DGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000540302661 435595699 /nfs/dbraw/zinc/59/56/99/435595699.db2.gz RHKWQFHULOQAAO-GOSISDBHSA-N 2 2 308.441 3.225 20 0 DGADLP CC(C)c1noc([C@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532401 435598397 /nfs/dbraw/zinc/59/83/97/435598397.db2.gz ZPLJGGHYSGELFW-HNNXBMFYSA-N 2 2 308.470 3.452 20 0 DGADLP CC(C)c1noc([C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532401 435598399 /nfs/dbraw/zinc/59/83/99/435598399.db2.gz ZPLJGGHYSGELFW-HNNXBMFYSA-N 2 2 308.470 3.452 20 0 DGADLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@H]2C1 ZINC000486642539 435606716 /nfs/dbraw/zinc/60/67/16/435606716.db2.gz FJGDKTBZUFHAHM-SJCJKPOMSA-N 2 2 301.821 3.419 20 0 DGADLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)[C@H]2C1 ZINC000486642539 435606719 /nfs/dbraw/zinc/60/67/19/435606719.db2.gz FJGDKTBZUFHAHM-SJCJKPOMSA-N 2 2 301.821 3.419 20 0 DGADLP CC[N@H+](CC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)C1CC1 ZINC000490191933 435652901 /nfs/dbraw/zinc/65/29/01/435652901.db2.gz YRGZBLSYZGUQHA-OAHLLOKOSA-N 2 2 311.473 3.408 20 0 DGADLP CC[N@@H+](CC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1)C1CC1 ZINC000490191933 435652904 /nfs/dbraw/zinc/65/29/04/435652904.db2.gz YRGZBLSYZGUQHA-OAHLLOKOSA-N 2 2 311.473 3.408 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)n1C ZINC000570816195 435653168 /nfs/dbraw/zinc/65/31/68/435653168.db2.gz JGNNPDURSCZFIT-JTQLQIEISA-N 2 2 308.223 3.342 20 0 DGADLP Fc1cccc(F)c1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000645778454 435685749 /nfs/dbraw/zinc/68/57/49/435685749.db2.gz VERLDLZCXWCKJU-UHFFFAOYSA-N 2 2 308.416 3.458 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2Br)CC[N@@H+](C2CCC2)C1 ZINC000292459387 300300985 /nfs/dbraw/zinc/30/09/85/300300985.db2.gz ZWWCTPLBBFUHSN-GFCCVEGCSA-N 2 2 324.266 3.155 20 0 DGADLP C[C@H]1CN(c2cc[nH+]cc2Br)CC[N@H+](C2CCC2)C1 ZINC000292459387 300300988 /nfs/dbraw/zinc/30/09/88/300300988.db2.gz ZWWCTPLBBFUHSN-GFCCVEGCSA-N 2 2 324.266 3.155 20 0 DGADLP CCC[C@H]([NH3+])c1cn(Cc2ccc(C(C)C)[nH+]c2CC)nn1 ZINC000641112802 435693258 /nfs/dbraw/zinc/69/32/58/435693258.db2.gz PZGNVSTVKVFTMO-AWEZNQCLSA-N 2 2 301.438 3.207 20 0 DGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000641111376 435693657 /nfs/dbraw/zinc/69/36/57/435693657.db2.gz BJHUXCIOQOBFIY-UHFFFAOYSA-N 2 2 313.449 3.139 20 0 DGADLP Cc1c[nH+]ccc1CCN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000645827231 435700321 /nfs/dbraw/zinc/70/03/21/435700321.db2.gz LGBFVCGHUHKEKG-LMMKCTJWSA-N 2 2 301.478 3.270 20 0 DGADLP OCc1cc[nH+]c(NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000641267344 435725367 /nfs/dbraw/zinc/72/53/67/435725367.db2.gz ILKCGIZQRODAEY-UHFFFAOYSA-N 2 2 311.429 3.172 20 0 DGADLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000651446446 435733913 /nfs/dbraw/zinc/73/39/13/435733913.db2.gz JKLZDMKNTDRIJG-SFHVURJKSA-N 2 2 322.456 3.026 20 0 DGADLP Cc1cc(N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000651446446 435733922 /nfs/dbraw/zinc/73/39/22/435733922.db2.gz JKLZDMKNTDRIJG-SFHVURJKSA-N 2 2 322.456 3.026 20 0 DGADLP c1csc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655695400 435734077 /nfs/dbraw/zinc/73/40/77/435734077.db2.gz LKZBHIFACBJRJS-WBVHZDCISA-N 2 2 306.475 3.042 20 0 DGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655694693 435734142 /nfs/dbraw/zinc/73/41/42/435734142.db2.gz JTGTYNVFIFPIRM-IBGZPJMESA-N 2 2 324.472 3.281 20 0 DGADLP CC1(C)COC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463711 435739399 /nfs/dbraw/zinc/73/93/99/435739399.db2.gz KHFQZIAWYUPSOV-IAGOWNOFSA-N 2 2 302.462 3.054 20 0 DGADLP CC1(C)COC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651463711 435739408 /nfs/dbraw/zinc/73/94/08/435739408.db2.gz KHFQZIAWYUPSOV-IAGOWNOFSA-N 2 2 302.462 3.054 20 0 DGADLP COc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000660436534 435744813 /nfs/dbraw/zinc/74/48/13/435744813.db2.gz RTXSNZUSPZKTPY-OAHLLOKOSA-N 2 2 318.804 3.397 20 0 DGADLP COc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000660436534 435744819 /nfs/dbraw/zinc/74/48/19/435744819.db2.gz RTXSNZUSPZKTPY-OAHLLOKOSA-N 2 2 318.804 3.397 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655719114 435748811 /nfs/dbraw/zinc/74/88/11/435748811.db2.gz QVDBLVWEIBFNMC-NZSAHSFTSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655719114 435748821 /nfs/dbraw/zinc/74/88/21/435748821.db2.gz QVDBLVWEIBFNMC-NZSAHSFTSA-N 2 2 324.472 3.218 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664676771 435756934 /nfs/dbraw/zinc/75/69/34/435756934.db2.gz BSWNXQCFYACIMC-CQSZACIVSA-N 2 2 316.424 3.246 20 0 DGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664676771 435756940 /nfs/dbraw/zinc/75/69/40/435756940.db2.gz BSWNXQCFYACIMC-CQSZACIVSA-N 2 2 316.424 3.246 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466627 435761248 /nfs/dbraw/zinc/76/12/48/435761248.db2.gz VFKKZLXSUKMRMY-MILMJNAHSA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466627 435761255 /nfs/dbraw/zinc/76/12/55/435761255.db2.gz VFKKZLXSUKMRMY-MILMJNAHSA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[NH+]2CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466627 435761260 /nfs/dbraw/zinc/76/12/60/435761260.db2.gz VFKKZLXSUKMRMY-MILMJNAHSA-N 2 2 322.537 3.226 20 0 DGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[NH+]2CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660466627 435761266 /nfs/dbraw/zinc/76/12/66/435761266.db2.gz VFKKZLXSUKMRMY-MILMJNAHSA-N 2 2 322.537 3.226 20 0 DGADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCC[C@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897813 435714287 /nfs/dbraw/zinc/71/42/87/435714287.db2.gz VPKJUETXHACYID-DLBZAZTESA-N 2 2 317.477 3.216 20 0 DGADLP c1[nH+]c([C@@H]2CCC[N@H+](CCC[C@H]3CCOC3)C2)n2c1CCCC2 ZINC000645897813 435714293 /nfs/dbraw/zinc/71/42/93/435714293.db2.gz VPKJUETXHACYID-DLBZAZTESA-N 2 2 317.477 3.216 20 0 DGADLP Cn1nccc1-c1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000646071504 435762233 /nfs/dbraw/zinc/76/22/33/435762233.db2.gz AGKAVGOYHBNWHB-QGZVFWFLSA-N 2 2 321.428 3.121 20 0 DGADLP Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000646071504 435762243 /nfs/dbraw/zinc/76/22/43/435762243.db2.gz AGKAVGOYHBNWHB-QGZVFWFLSA-N 2 2 321.428 3.121 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000548794035 435718210 /nfs/dbraw/zinc/71/82/10/435718210.db2.gz RAWGOBBIZPBRFC-NZSAHSFTSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000548794035 435718214 /nfs/dbraw/zinc/71/82/14/435718214.db2.gz RAWGOBBIZPBRFC-NZSAHSFTSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000548794034 435720126 /nfs/dbraw/zinc/72/01/26/435720126.db2.gz RAWGOBBIZPBRFC-NEWSRXKRSA-N 2 2 314.473 3.371 20 0 DGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000548794034 435720129 /nfs/dbraw/zinc/72/01/29/435720129.db2.gz RAWGOBBIZPBRFC-NEWSRXKRSA-N 2 2 314.473 3.371 20 0 DGADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000651692479 435791976 /nfs/dbraw/zinc/79/19/76/435791976.db2.gz GUOXSJWSHIHOCR-INIZCTEOSA-N 2 2 301.434 3.413 20 0 DGADLP CSc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000641707574 435792520 /nfs/dbraw/zinc/79/25/20/435792520.db2.gz ILFIHCYNCPTEPB-UHFFFAOYSA-N 2 2 317.458 3.151 20 0 DGADLP CCn1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000641715259 435795139 /nfs/dbraw/zinc/79/51/39/435795139.db2.gz TYVAUROPIRMCJI-MRXNPFEDSA-N 2 2 323.444 3.192 20 0 DGADLP Clc1ccccc1C1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655780437 435795089 /nfs/dbraw/zinc/79/50/89/435795089.db2.gz YWQRSAGBHZNKTI-OAHLLOKOSA-N 2 2 320.864 3.172 20 0 DGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000641713344 435795848 /nfs/dbraw/zinc/79/58/48/435795848.db2.gz SDGFKNIIBICRLM-IAGOWNOFSA-N 3 2 307.526 3.103 20 0 DGADLP c1cn(-c2csc(C[NH2+][C@@H](C3CC3)[C@H]3CCCCO3)c2)c[nH+]1 ZINC000655810499 435816328 /nfs/dbraw/zinc/81/63/28/435816328.db2.gz DXRLHFAGNFBQOP-SJORKVTESA-N 2 2 317.458 3.371 20 0 DGADLP Brc1ccccc1CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660581460 435816753 /nfs/dbraw/zinc/81/67/53/435816753.db2.gz DNCILZFYKITQKE-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP Brc1ccccc1CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660581460 435816760 /nfs/dbraw/zinc/81/67/60/435816760.db2.gz DNCILZFYKITQKE-UHFFFAOYSA-N 2 2 320.234 3.094 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000660590827 435817676 /nfs/dbraw/zinc/81/76/76/435817676.db2.gz QTPRSDPKCBKTQE-QGZVFWFLSA-N 2 2 316.489 3.495 20 0 DGADLP CC(C)c1cccc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000660590827 435817683 /nfs/dbraw/zinc/81/76/83/435817683.db2.gz QTPRSDPKCBKTQE-QGZVFWFLSA-N 2 2 316.489 3.495 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000651756013 435817960 /nfs/dbraw/zinc/81/79/60/435817960.db2.gz GRUPZIGQIFMDAJ-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000651756013 435817966 /nfs/dbraw/zinc/81/79/66/435817966.db2.gz GRUPZIGQIFMDAJ-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000651756013 435817972 /nfs/dbraw/zinc/81/79/72/435817972.db2.gz GRUPZIGQIFMDAJ-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000651756013 435817975 /nfs/dbraw/zinc/81/79/75/435817975.db2.gz GRUPZIGQIFMDAJ-FXAWDEMLSA-N 2 2 324.472 3.015 20 0 DGADLP C[C@@]1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCc2ccccc21 ZINC000655744421 435765383 /nfs/dbraw/zinc/76/53/83/435765383.db2.gz ZANANVWVIQYUCN-UYAOXDASSA-N 2 2 314.473 3.081 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCn2ccnc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655752063 435774269 /nfs/dbraw/zinc/77/42/69/435774269.db2.gz HVAIAUHOKDFTNC-UHOSZYNNSA-N 2 2 324.472 3.218 20 0 DGADLP C[C@H]([NH2+][C@H]1CCCn2ccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655752063 435774275 /nfs/dbraw/zinc/77/42/75/435774275.db2.gz HVAIAUHOKDFTNC-UHOSZYNNSA-N 2 2 324.472 3.218 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000641633751 435776158 /nfs/dbraw/zinc/77/61/58/435776158.db2.gz WVCRRJAJOOXHKH-UHFFFAOYSA-N 2 2 317.477 3.070 20 0 DGADLP CC(C)(C)c1cc[nH+]c(N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000641633751 435776163 /nfs/dbraw/zinc/77/61/63/435776163.db2.gz WVCRRJAJOOXHKH-UHFFFAOYSA-N 2 2 317.477 3.070 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651645919 435777049 /nfs/dbraw/zinc/77/70/49/435777049.db2.gz INELRFZOTOCKCT-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000651645919 435777057 /nfs/dbraw/zinc/77/70/57/435777057.db2.gz INELRFZOTOCKCT-CQSZACIVSA-N 2 2 324.440 3.007 20 0 DGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655756426 435778877 /nfs/dbraw/zinc/77/88/77/435778877.db2.gz FMKRSUBABKFHBW-LMMKCTJWSA-N 2 2 308.510 3.434 20 0 DGADLP C[NH+](C)C[C@@H](N[C@@H]1CCCn2cc[nH+]c21)c1ccc(Cl)cc1 ZINC000655766609 435784314 /nfs/dbraw/zinc/78/43/14/435784314.db2.gz SJCSCTFCEPGBES-HZPDHXFCSA-N 2 2 318.852 3.264 20 0 DGADLP Fc1cc(C2CC2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655769772 435786426 /nfs/dbraw/zinc/78/64/26/435786426.db2.gz ONOYFPLYMDVNHT-SFHVURJKSA-N 2 2 318.436 3.046 20 0 DGADLP COc1ccccc1-c1nc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cs1 ZINC000641802571 435829067 /nfs/dbraw/zinc/82/90/67/435829067.db2.gz MWABDIVTSSGGOK-LSDHHAIUSA-N 2 2 317.458 3.034 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000641804921 435829562 /nfs/dbraw/zinc/82/95/62/435829562.db2.gz MFUKIZMEYSBLPG-FGTMMUONSA-N 2 2 323.440 3.082 20 0 DGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000641808422 435829660 /nfs/dbraw/zinc/82/96/60/435829660.db2.gz UTTHYBQFLRXRGD-ZIAGYGMSSA-N 2 2 305.809 3.210 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000655838537 435829915 /nfs/dbraw/zinc/82/99/15/435829915.db2.gz OJOFQDQJJGTYGI-HLIPFELVSA-N 2 2 309.457 3.438 20 0 DGADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000655838537 435829920 /nfs/dbraw/zinc/82/99/20/435829920.db2.gz OJOFQDQJJGTYGI-HLIPFELVSA-N 2 2 309.457 3.438 20 0 DGADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000655843369 435832302 /nfs/dbraw/zinc/83/23/02/435832302.db2.gz RIPFBVYCDNPVAE-CYBMUJFWSA-N 2 2 307.463 3.475 20 0 DGADLP C[C@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385970 435833329 /nfs/dbraw/zinc/83/33/29/435833329.db2.gz VFPPLXPJFJJSFH-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385970 435833336 /nfs/dbraw/zinc/83/33/36/435833336.db2.gz VFPPLXPJFJJSFH-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385970 435833341 /nfs/dbraw/zinc/83/33/41/435833341.db2.gz VFPPLXPJFJJSFH-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)C1 ZINC000551385970 435833348 /nfs/dbraw/zinc/83/33/48/435833348.db2.gz VFPPLXPJFJJSFH-IEBWSBKVSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nsc4ccccc43)C2)C1 ZINC000660642665 435835602 /nfs/dbraw/zinc/83/56/02/435835602.db2.gz TXQRNKGDVUOPEA-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nsc4ccccc43)C2)C1 ZINC000660642665 435835607 /nfs/dbraw/zinc/83/56/07/435835607.db2.gz TXQRNKGDVUOPEA-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nsc4ccccc43)C2)C1 ZINC000660642665 435835611 /nfs/dbraw/zinc/83/56/11/435835611.db2.gz TXQRNKGDVUOPEA-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nsc4ccccc43)C2)C1 ZINC000660642665 435835616 /nfs/dbraw/zinc/83/56/16/435835616.db2.gz TXQRNKGDVUOPEA-QGZVFWFLSA-N 2 2 301.459 3.214 20 0 DGADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000651814578 435836176 /nfs/dbraw/zinc/83/61/76/435836176.db2.gz ZSOWBNXKYAKQJQ-GXFFZTMASA-N 2 2 305.784 3.337 20 0 DGADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000651814578 435836179 /nfs/dbraw/zinc/83/61/79/435836179.db2.gz ZSOWBNXKYAKQJQ-GXFFZTMASA-N 2 2 305.784 3.337 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655849314 435838551 /nfs/dbraw/zinc/83/85/51/435838551.db2.gz NQHAIRZVHFLOAK-USXIJHARSA-N 2 2 318.461 3.371 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655849314 435838562 /nfs/dbraw/zinc/83/85/62/435838562.db2.gz NQHAIRZVHFLOAK-USXIJHARSA-N 2 2 318.461 3.371 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848677 435840238 /nfs/dbraw/zinc/84/02/38/435840238.db2.gz JVLSUXCLMSEVQK-KYNGSXCRSA-N 2 2 315.461 3.313 20 0 DGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848677 435840245 /nfs/dbraw/zinc/84/02/45/435840245.db2.gz JVLSUXCLMSEVQK-KYNGSXCRSA-N 2 2 315.461 3.313 20 0 DGADLP C1CC[N@@H+]2CCC[C@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@@H]2C1 ZINC000655849246 435840299 /nfs/dbraw/zinc/84/02/99/435840299.db2.gz RIDLRGDZDGZLBQ-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP C1CC[N@H+]2CCC[C@H]([NH2+]C3CCC4(CCOCC4)CC3)[C@@H]2C1 ZINC000655849246 435840302 /nfs/dbraw/zinc/84/03/02/435840302.db2.gz RIDLRGDZDGZLBQ-ROUUACIJSA-N 2 2 306.494 3.332 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848254 435840577 /nfs/dbraw/zinc/84/05/77/435840577.db2.gz CGFUJXLHUBCPTO-GVDBMIGSSA-N 2 2 318.436 3.428 20 0 DGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848254 435840581 /nfs/dbraw/zinc/84/05/81/435840581.db2.gz CGFUJXLHUBCPTO-GVDBMIGSSA-N 2 2 318.436 3.428 20 0 DGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(-c2ccccc2)cn1 ZINC000651828521 435841855 /nfs/dbraw/zinc/84/18/55/435841855.db2.gz OTKGYULJGNYAOF-HNNXBMFYSA-N 2 2 306.413 3.375 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000655856730 435844559 /nfs/dbraw/zinc/84/45/59/435844559.db2.gz OXBMBQZKIIIOPV-ROUUACIJSA-N 2 2 316.493 3.033 20 0 DGADLP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000655856730 435844562 /nfs/dbraw/zinc/84/45/62/435844562.db2.gz OXBMBQZKIIIOPV-ROUUACIJSA-N 2 2 316.493 3.033 20 0 DGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662719 435847241 /nfs/dbraw/zinc/84/72/41/435847241.db2.gz LUTUEKDFVFWEMI-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662719 435847244 /nfs/dbraw/zinc/84/72/44/435847244.db2.gz LUTUEKDFVFWEMI-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662719 435847247 /nfs/dbraw/zinc/84/72/47/435847247.db2.gz LUTUEKDFVFWEMI-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP COc1cc(Cl)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662719 435847250 /nfs/dbraw/zinc/84/72/50/435847250.db2.gz LUTUEKDFVFWEMI-KRWDZBQOSA-N 2 2 308.853 3.266 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699606 435850490 /nfs/dbraw/zinc/85/04/90/435850490.db2.gz IYJTZFBQCOLUKB-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699606 435850496 /nfs/dbraw/zinc/85/04/96/435850496.db2.gz IYJTZFBQCOLUKB-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@@H](C)[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699606 435850499 /nfs/dbraw/zinc/85/04/99/435850499.db2.gz IYJTZFBQCOLUKB-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP C[C@@H]1C[C@@H](C)[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699606 435850506 /nfs/dbraw/zinc/85/05/06/435850506.db2.gz IYJTZFBQCOLUKB-ZHALLVOQSA-N 2 2 302.462 3.008 20 0 DGADLP c1ccc(C[NH2+]C2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000660673831 435853899 /nfs/dbraw/zinc/85/38/99/435853899.db2.gz HMYSHYSNPQSART-UHFFFAOYSA-N 2 2 310.441 3.320 20 0 DGADLP CC[N@H+](CCC[NH2+]Cc1cn(C(C)(C)C)nn1)C1CCCCC1 ZINC000651910509 435861908 /nfs/dbraw/zinc/86/19/08/435861908.db2.gz WIBSBGYZGABKDK-UHFFFAOYSA-N 2 2 321.513 3.167 20 0 DGADLP CC[N@@H+](CCC[NH2+]Cc1cn(C(C)(C)C)nn1)C1CCCCC1 ZINC000651910509 435861915 /nfs/dbraw/zinc/86/19/15/435861915.db2.gz WIBSBGYZGABKDK-UHFFFAOYSA-N 2 2 321.513 3.167 20 0 DGADLP CC[N@H+](CCC[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000651910491 435863526 /nfs/dbraw/zinc/86/35/26/435863526.db2.gz VXHOFTCIGIDERQ-UHFFFAOYSA-N 3 2 307.526 3.248 20 0 DGADLP CC[N@@H+](CCC[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000651910491 435863531 /nfs/dbraw/zinc/86/35/31/435863531.db2.gz VXHOFTCIGIDERQ-UHFFFAOYSA-N 3 2 307.526 3.248 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801097 435868375 /nfs/dbraw/zinc/86/83/75/435868375.db2.gz OAOQJPKFOAVWEB-DZGCQCFKSA-N 2 2 310.869 3.178 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801097 435868379 /nfs/dbraw/zinc/86/83/79/435868379.db2.gz OAOQJPKFOAVWEB-DZGCQCFKSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801097 435868385 /nfs/dbraw/zinc/86/83/85/435868385.db2.gz OAOQJPKFOAVWEB-DZGCQCFKSA-N 2 2 310.869 3.178 20 0 DGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000572801097 435868390 /nfs/dbraw/zinc/86/83/90/435868390.db2.gz OAOQJPKFOAVWEB-DZGCQCFKSA-N 2 2 310.869 3.178 20 0 DGADLP CC1C[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660742371 435877532 /nfs/dbraw/zinc/87/75/32/435877532.db2.gz WGQFVTNGJBBNFA-NIHUSPDFSA-N 2 2 302.506 3.332 20 0 DGADLP CC1C[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660742371 435877538 /nfs/dbraw/zinc/87/75/38/435877538.db2.gz WGQFVTNGJBBNFA-NIHUSPDFSA-N 2 2 302.506 3.332 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000651983432 435886662 /nfs/dbraw/zinc/88/66/62/435886662.db2.gz YWUWPCGQXAWHLE-GPMSIDNRSA-N 2 2 302.462 3.227 20 0 DGADLP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000651983432 435886665 /nfs/dbraw/zinc/88/66/65/435886665.db2.gz YWUWPCGQXAWHLE-GPMSIDNRSA-N 2 2 302.462 3.227 20 0 DGADLP COc1c(C)[nH+]cnc1NCc1ccccc1C[N@H+](C)C(C)C ZINC000656109133 435892590 /nfs/dbraw/zinc/89/25/90/435892590.db2.gz XILSPEIMMSQNOD-UHFFFAOYSA-N 2 2 314.433 3.246 20 0 DGADLP COc1c(C)[nH+]cnc1NCc1ccccc1C[N@@H+](C)C(C)C ZINC000656109133 435892595 /nfs/dbraw/zinc/89/25/95/435892595.db2.gz XILSPEIMMSQNOD-UHFFFAOYSA-N 2 2 314.433 3.246 20 0 DGADLP Cc1nocc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857220 435908347 /nfs/dbraw/zinc/90/83/47/435908347.db2.gz IJMBMDBUTZQKSS-UHFFFAOYSA-N 2 2 310.401 3.314 20 0 DGADLP CC(C)OCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852917 435908776 /nfs/dbraw/zinc/90/87/76/435908776.db2.gz LMXBDTYMQCNPIC-UHFFFAOYSA-N 2 2 301.434 3.242 20 0 DGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000652222051 435926470 /nfs/dbraw/zinc/92/64/70/435926470.db2.gz DKMOXYHRURHXBZ-OAHLLOKOSA-N 2 2 302.466 3.202 20 0 DGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000652222051 435926476 /nfs/dbraw/zinc/92/64/76/435926476.db2.gz DKMOXYHRURHXBZ-OAHLLOKOSA-N 2 2 302.466 3.202 20 0 DGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C12CCC2 ZINC000665251520 435927812 /nfs/dbraw/zinc/92/78/12/435927812.db2.gz RLCJSYTUOCUWRE-NCXUSEDFSA-N 2 2 314.473 3.069 20 0 DGADLP CC(C)CCc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]c1 ZINC000656262044 435928139 /nfs/dbraw/zinc/92/81/39/435928139.db2.gz GUWWUCUTNFUZCZ-GOSISDBHSA-N 2 2 317.477 3.335 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(O)c1 ZINC000665257746 435931773 /nfs/dbraw/zinc/93/17/73/435931773.db2.gz SVCSPIHKQPEPJD-MJXNMMHHSA-N 2 2 314.404 3.328 20 0 DGADLP CC[N@H+](CCC[NH2+][C@@H](C)c1cc(C)n(C)n1)C1CCCCC1 ZINC000652238164 435931842 /nfs/dbraw/zinc/93/18/42/435931842.db2.gz VUJBXKBXESUYQE-INIZCTEOSA-N 2 2 306.498 3.424 20 0 DGADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1cc(C)n(C)n1)C1CCCCC1 ZINC000652238164 435931844 /nfs/dbraw/zinc/93/18/44/435931844.db2.gz VUJBXKBXESUYQE-INIZCTEOSA-N 2 2 306.498 3.424 20 0 DGADLP Clc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656281424 435936936 /nfs/dbraw/zinc/93/69/36/435936936.db2.gz XNQRICZQTPLHQP-GOSISDBHSA-N 2 2 322.880 3.069 20 0 DGADLP Clc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656281424 435936940 /nfs/dbraw/zinc/93/69/40/435936940.db2.gz XNQRICZQTPLHQP-GOSISDBHSA-N 2 2 322.880 3.069 20 0 DGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665267478 435934484 /nfs/dbraw/zinc/93/44/84/435934484.db2.gz XIKHHTKWMCPDEJ-PMPSAXMXSA-N 2 2 310.388 3.123 20 0 DGADLP C[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)[C@@H]1CC[NH3+] ZINC000652355842 435959109 /nfs/dbraw/zinc/95/91/09/435959109.db2.gz JQRPQONFUVJIBV-QWHCGFSZSA-N 2 2 305.447 3.352 20 0 DGADLP C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)[C@@H]1CC[NH3+] ZINC000652355842 435959113 /nfs/dbraw/zinc/95/91/13/435959113.db2.gz JQRPQONFUVJIBV-QWHCGFSZSA-N 2 2 305.447 3.352 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000647177164 435962908 /nfs/dbraw/zinc/96/29/08/435962908.db2.gz OEYUYDDSTFRYAJ-INIZCTEOSA-N 2 2 313.470 3.430 20 0 DGADLP c1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cs1 ZINC000647177164 435962910 /nfs/dbraw/zinc/96/29/10/435962910.db2.gz OEYUYDDSTFRYAJ-INIZCTEOSA-N 2 2 313.470 3.430 20 0 DGADLP COc1ccccc1/C=C\C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262761 435994674 /nfs/dbraw/zinc/99/46/74/435994674.db2.gz OLABNKUUXOHWDJ-TWGQIWQCSA-N 2 2 321.424 3.497 20 0 DGADLP Cc1cc(C)c(NC(=O)CCC[NH2+]C(C)(C)C[NH+](C)C)c(C)c1 ZINC000656614452 435984876 /nfs/dbraw/zinc/98/48/76/435984876.db2.gz ZPUHUOCJCCKHQH-UHFFFAOYSA-N 2 2 319.493 3.260 20 0 DGADLP CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000647243759 435988394 /nfs/dbraw/zinc/98/83/94/435988394.db2.gz OLRXYRSMRGHDQD-ZBFHGGJFSA-N 2 2 301.434 3.067 20 0 DGADLP Brc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCC2 ZINC000665278896 435938717 /nfs/dbraw/zinc/93/87/17/435938717.db2.gz QYFNRXXMVRMNHA-YWCUFVOSSA-N 2 2 321.262 3.168 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCc2ccco2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665283386 435940077 /nfs/dbraw/zinc/94/00/77/435940077.db2.gz MXHDBWMDZUISCE-RBUKOAKNSA-N 2 2 314.429 3.304 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000665296511 435942341 /nfs/dbraw/zinc/94/23/41/435942341.db2.gz UAGXRAFBIKNWNV-VXGBXAGGSA-N 2 2 306.841 3.093 20 0 DGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000665296145 435942678 /nfs/dbraw/zinc/94/26/78/435942678.db2.gz NKYNKGARQRLRAK-OQPBUACISA-N 2 2 317.658 3.287 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000652355642 435956885 /nfs/dbraw/zinc/95/68/85/435956885.db2.gz BTWYSHGCEHJIRC-KOLCDFICSA-N 2 2 321.412 3.420 20 0 DGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000652355642 435956889 /nfs/dbraw/zinc/95/68/89/435956889.db2.gz BTWYSHGCEHJIRC-KOLCDFICSA-N 2 2 321.412 3.420 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000652352382 435957665 /nfs/dbraw/zinc/95/76/65/435957665.db2.gz NTTJWQWIGZDQAA-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000652352382 435957670 /nfs/dbraw/zinc/95/76/70/435957670.db2.gz NTTJWQWIGZDQAA-KSSFIOAISA-N 2 2 315.392 3.042 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(C3CCCC3)n1)C2 ZINC000652352327 435957717 /nfs/dbraw/zinc/95/77/17/435957717.db2.gz DEGGHLBPXZJSOJ-YOEHRIQHSA-N 2 2 305.491 3.362 20 0 DGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(C3CCCC3)n1)C2 ZINC000652352327 435957724 /nfs/dbraw/zinc/95/77/24/435957724.db2.gz DEGGHLBPXZJSOJ-YOEHRIQHSA-N 2 2 305.491 3.362 20 0 DGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283269 435999558 /nfs/dbraw/zinc/99/95/58/435999558.db2.gz RUYJMBYJOZIQMO-IXDOHACOSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647283269 435999562 /nfs/dbraw/zinc/99/95/62/435999562.db2.gz RUYJMBYJOZIQMO-IXDOHACOSA-N 2 2 318.509 3.238 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647321032 436013227 /nfs/dbraw/zinc/01/32/27/436013227.db2.gz STPJFEVOHVJOQH-FVQBIDKESA-N 2 2 318.486 3.002 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647321032 436013230 /nfs/dbraw/zinc/01/32/30/436013230.db2.gz STPJFEVOHVJOQH-FVQBIDKESA-N 2 2 318.486 3.002 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC34CCOCC4)cn21 ZINC000647363892 436030979 /nfs/dbraw/zinc/03/09/79/436030979.db2.gz MXBHPIKDBIWINN-KRWDZBQOSA-N 2 2 313.445 3.124 20 0 DGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cnn(C(C)C)c3)cn21 ZINC000647364474 436032575 /nfs/dbraw/zinc/03/25/75/436032575.db2.gz ATVIQERDAWPZIW-OAHLLOKOSA-N 2 2 311.433 3.313 20 0 DGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000656789231 436047443 /nfs/dbraw/zinc/04/74/43/436047443.db2.gz STRIEOQVTZYONS-TZIWHRDSSA-N 2 2 317.436 3.470 20 0 DGADLP CCC[N@H+](Cc1ccc(OC)c(O[C@H](C)CC)c1)[C@@H]1CC[NH2+]C1 ZINC000647492769 436064289 /nfs/dbraw/zinc/06/42/89/436064289.db2.gz XWORYSLJMJVSLA-NVXWUHKLSA-N 2 2 320.477 3.446 20 0 DGADLP CCC[N@@H+](Cc1ccc(OC)c(O[C@H](C)CC)c1)[C@@H]1CC[NH2+]C1 ZINC000647492769 436064295 /nfs/dbraw/zinc/06/42/95/436064295.db2.gz XWORYSLJMJVSLA-NVXWUHKLSA-N 2 2 320.477 3.446 20 0 DGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498450 436065393 /nfs/dbraw/zinc/06/53/93/436065393.db2.gz HHXJBBLVKFIUKO-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000647498450 436065397 /nfs/dbraw/zinc/06/53/97/436065397.db2.gz HHXJBBLVKFIUKO-ZFWWWQNUSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498449 436066207 /nfs/dbraw/zinc/06/62/07/436066207.db2.gz HHXJBBLVKFIUKO-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@H]1[NH3+] ZINC000647498449 436066212 /nfs/dbraw/zinc/06/62/12/436066212.db2.gz HHXJBBLVKFIUKO-UKRRQHHQSA-N 2 2 301.459 3.369 20 0 DGADLP CC[C@H]1C[N@H+](Cc2sc(C)cc2Br)CC[C@H]1[NH3+] ZINC000647497223 436067414 /nfs/dbraw/zinc/06/74/14/436067414.db2.gz AETFZYNKDPIUDY-CMPLNLGQSA-N 2 2 317.296 3.378 20 0 DGADLP CC[C@H]1C[N@@H+](Cc2sc(C)cc2Br)CC[C@H]1[NH3+] ZINC000647497223 436067420 /nfs/dbraw/zinc/06/74/20/436067420.db2.gz AETFZYNKDPIUDY-CMPLNLGQSA-N 2 2 317.296 3.378 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661441958 436072668 /nfs/dbraw/zinc/07/26/68/436072668.db2.gz IVZJQOSBMUSELZ-LPHOPBHVSA-N 2 2 313.445 3.164 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661441958 436072671 /nfs/dbraw/zinc/07/26/71/436072671.db2.gz IVZJQOSBMUSELZ-LPHOPBHVSA-N 2 2 313.445 3.164 20 0 DGADLP CC1([NH3+])CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000647531612 436073058 /nfs/dbraw/zinc/07/30/58/436073058.db2.gz KZGCQINFLJLTFV-UHFFFAOYSA-N 2 2 305.422 3.262 20 0 DGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548542 436080155 /nfs/dbraw/zinc/08/01/55/436080155.db2.gz HBIKDSLKOSZXGQ-RDJZCZTQSA-N 2 2 312.461 3.083 20 0 DGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000647548812 436080859 /nfs/dbraw/zinc/08/08/59/436080859.db2.gz VMRZSWSSJHEOFJ-PXNSSMCTSA-N 3 2 315.505 3.150 20 0 DGADLP FC(F)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554192 436082272 /nfs/dbraw/zinc/08/22/72/436082272.db2.gz SWKDYMBEBIIYSE-OAHLLOKOSA-N 2 2 310.388 3.095 20 0 DGADLP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000647553861 436082817 /nfs/dbraw/zinc/08/28/17/436082817.db2.gz LGOUXBMIWBVUTK-SFHVURJKSA-N 2 2 318.461 3.248 20 0 DGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1SC ZINC000647554211 436083598 /nfs/dbraw/zinc/08/35/98/436083598.db2.gz UCDPHENVTBPLKA-INIZCTEOSA-N 2 2 306.475 3.181 20 0 DGADLP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554393 436084927 /nfs/dbraw/zinc/08/49/27/436084927.db2.gz YPOGCOVXRGYNFR-CQSZACIVSA-N 2 2 314.351 3.350 20 0 DGADLP Cc1cc(CO)cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)[nH+]1 ZINC000647852447 436133958 /nfs/dbraw/zinc/13/39/58/436133958.db2.gz CCXMKRBVDMNIDK-UHFFFAOYSA-N 2 2 322.412 3.143 20 0 DGADLP COc1ccccc1C[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647872248 436139096 /nfs/dbraw/zinc/13/90/96/436139096.db2.gz MHJZFOTYYJAMCT-OAHLLOKOSA-N 2 2 316.470 3.368 20 0 DGADLP COc1ccccc1C[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647872248 436139099 /nfs/dbraw/zinc/13/90/99/436139099.db2.gz MHJZFOTYYJAMCT-OAHLLOKOSA-N 2 2 316.470 3.368 20 0 DGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657335172 436141924 /nfs/dbraw/zinc/14/19/24/436141924.db2.gz IJWLYCYLQPDAAU-UHFFFAOYSA-N 2 2 300.368 3.458 20 0 DGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000647903466 436145697 /nfs/dbraw/zinc/14/56/97/436145697.db2.gz JQKXJALWMAFJEV-DOMZBBRYSA-N 2 2 313.367 3.064 20 0 DGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000647903466 436145701 /nfs/dbraw/zinc/14/57/01/436145701.db2.gz JQKXJALWMAFJEV-DOMZBBRYSA-N 2 2 313.367 3.064 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@@H+]1C ZINC000647910992 436146517 /nfs/dbraw/zinc/14/65/17/436146517.db2.gz NLILNGJOOYQSHA-DOMZBBRYSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[N@H+]1C ZINC000647910992 436146520 /nfs/dbraw/zinc/14/65/20/436146520.db2.gz NLILNGJOOYQSHA-DOMZBBRYSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910992 436146525 /nfs/dbraw/zinc/14/65/25/436146525.db2.gz NLILNGJOOYQSHA-DOMZBBRYSA-N 2 2 319.399 3.428 20 0 DGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccc(F)c(F)c3n2)CC[NH+]1C ZINC000647910992 436146527 /nfs/dbraw/zinc/14/65/27/436146527.db2.gz NLILNGJOOYQSHA-DOMZBBRYSA-N 2 2 319.399 3.428 20 0 DGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657337544 436146661 /nfs/dbraw/zinc/14/66/61/436146661.db2.gz YSELKNHXOGYUOC-LBPRGKRZSA-N 2 2 316.367 3.249 20 0 DGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000657337544 436146666 /nfs/dbraw/zinc/14/66/66/436146666.db2.gz YSELKNHXOGYUOC-LBPRGKRZSA-N 2 2 316.367 3.249 20 0 DGADLP CC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1nc(C)cs1 ZINC000657350523 436151249 /nfs/dbraw/zinc/15/12/49/436151249.db2.gz DWKUTYJBXPLUHS-OAHLLOKOSA-N 2 2 313.430 3.273 20 0 DGADLP CC[NH+](CC)CCN(Cc1c[nH+]c[nH]1)Cc1ccc(Cl)cc1 ZINC000661574920 436112451 /nfs/dbraw/zinc/11/24/51/436112451.db2.gz CBOWKDSRPOMKHD-UHFFFAOYSA-N 2 2 320.868 3.407 20 0 DGADLP CC[NH+](CC)CCN(Cc1c[nH]c[nH+]1)Cc1ccc(Cl)cc1 ZINC000661574920 436112455 /nfs/dbraw/zinc/11/24/55/436112455.db2.gz CBOWKDSRPOMKHD-UHFFFAOYSA-N 2 2 320.868 3.407 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113974 436112839 /nfs/dbraw/zinc/11/28/39/436112839.db2.gz TVSPCASFPHVPDQ-ZWKOTPCHSA-N 2 2 323.396 3.343 20 0 DGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653113428 436113220 /nfs/dbraw/zinc/11/32/20/436113220.db2.gz BRJMXAITNXFTOE-AWEZNQCLSA-N 2 2 311.385 3.202 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657296513 436118851 /nfs/dbraw/zinc/11/88/51/436118851.db2.gz WYOIOECYNFUTBR-UHFFFAOYSA-N 2 2 300.368 3.316 20 0 DGADLP Fc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000657295496 436120725 /nfs/dbraw/zinc/12/07/25/436120725.db2.gz QOPQQLDDKIUBLK-UHFFFAOYSA-N 2 2 314.351 3.144 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959793 436158163 /nfs/dbraw/zinc/15/81/63/436158163.db2.gz LVQQUXBIOQOPPK-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959793 436158169 /nfs/dbraw/zinc/15/81/69/436158169.db2.gz LVQQUXBIOQOPPK-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959793 436158174 /nfs/dbraw/zinc/15/81/74/436158174.db2.gz LVQQUXBIOQOPPK-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000647959793 436158179 /nfs/dbraw/zinc/15/81/79/436158179.db2.gz LVQQUXBIOQOPPK-KRWDZBQOSA-N 2 2 310.869 3.006 20 0 DGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657365889 436160644 /nfs/dbraw/zinc/16/06/44/436160644.db2.gz KFWOLNBIRWPBTK-INIZCTEOSA-N 2 2 324.472 3.145 20 0 DGADLP Cc1cc(NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)nc[nH+]1 ZINC000495318527 301058382 /nfs/dbraw/zinc/05/83/82/301058382.db2.gz BBVTZMBWCZSSRL-SJLPKXTDSA-N 2 2 312.461 3.384 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964278 436162381 /nfs/dbraw/zinc/16/23/81/436162381.db2.gz BCPISZQSGNHJQV-FUHWJXTLSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)o1 ZINC000647964278 436162384 /nfs/dbraw/zinc/16/23/84/436162384.db2.gz BCPISZQSGNHJQV-FUHWJXTLSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000647964278 436162386 /nfs/dbraw/zinc/16/23/86/436162386.db2.gz BCPISZQSGNHJQV-FUHWJXTLSA-N 2 2 322.493 3.460 20 0 DGADLP CCc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)o1 ZINC000647964278 436162390 /nfs/dbraw/zinc/16/23/90/436162390.db2.gz BCPISZQSGNHJQV-FUHWJXTLSA-N 2 2 322.493 3.460 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(C)c1 ZINC000430596534 301189201 /nfs/dbraw/zinc/18/92/01/301189201.db2.gz WZRHCQYZRIOQMC-SJORKVTESA-N 2 2 319.493 3.244 20 0 DGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c(C)c1 ZINC000430596534 301189202 /nfs/dbraw/zinc/18/92/02/301189202.db2.gz WZRHCQYZRIOQMC-SJORKVTESA-N 2 2 319.493 3.244 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000657383281 436170778 /nfs/dbraw/zinc/17/07/78/436170778.db2.gz KZFFNWQACLZHBZ-QGZVFWFLSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1ccnc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657383281 436170780 /nfs/dbraw/zinc/17/07/80/436170780.db2.gz KZFFNWQACLZHBZ-QGZVFWFLSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1cc[nH+]c1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000657383281 436170784 /nfs/dbraw/zinc/17/07/84/436170784.db2.gz KZFFNWQACLZHBZ-QGZVFWFLSA-N 2 2 314.477 3.464 20 0 DGADLP CC(C)n1cc[nH+]c1CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000657383281 436170789 /nfs/dbraw/zinc/17/07/89/436170789.db2.gz KZFFNWQACLZHBZ-QGZVFWFLSA-N 2 2 314.477 3.464 20 0 DGADLP Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000648006295 436173357 /nfs/dbraw/zinc/17/33/57/436173357.db2.gz VYEFSFHPOKLEFT-SFHVURJKSA-N 2 2 321.428 3.214 20 0 DGADLP Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000648006295 436173360 /nfs/dbraw/zinc/17/33/60/436173360.db2.gz VYEFSFHPOKLEFT-SFHVURJKSA-N 2 2 321.428 3.214 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCOC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000651397261 436186700 /nfs/dbraw/zinc/18/67/00/436186700.db2.gz CEZYBZAEVPGOSJ-IAGOWNOFSA-N 2 2 302.462 3.197 20 0 DGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCOC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000651397261 436186703 /nfs/dbraw/zinc/18/67/03/436186703.db2.gz CEZYBZAEVPGOSJ-IAGOWNOFSA-N 2 2 302.462 3.197 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1OC(C)C ZINC000657524868 436234313 /nfs/dbraw/zinc/23/43/13/436234313.db2.gz SUEDDCVAMWJTML-INIZCTEOSA-N 2 2 320.477 3.445 20 0 DGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1OC(C)C ZINC000657524868 436234317 /nfs/dbraw/zinc/23/43/17/436234317.db2.gz SUEDDCVAMWJTML-INIZCTEOSA-N 2 2 320.477 3.445 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)c2ccccn2)n1-c1ccccc1 ZINC000657532139 436236718 /nfs/dbraw/zinc/23/67/18/436236718.db2.gz DXXZPWAVKGYZFR-OAHLLOKOSA-N 2 2 306.413 3.469 20 0 DGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)c2ccccn2)n1-c1ccccc1 ZINC000657532138 436237023 /nfs/dbraw/zinc/23/70/23/436237023.db2.gz DXXZPWAVKGYZFR-HNNXBMFYSA-N 2 2 306.413 3.469 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000657528177 436237381 /nfs/dbraw/zinc/23/73/81/436237381.db2.gz RDUXQKAWJDFMEH-JCJXWUGKSA-N 2 2 302.462 3.227 20 0 DGADLP COC1CC(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000657528177 436237382 /nfs/dbraw/zinc/23/73/82/436237382.db2.gz RDUXQKAWJDFMEH-JCJXWUGKSA-N 2 2 302.462 3.227 20 0 DGADLP Cc1cc(N[C@H](Cc2ccccc2)c2[nH+]ccn2C)nc(C)[nH+]1 ZINC000651433326 436194973 /nfs/dbraw/zinc/19/49/73/436194973.db2.gz YGDPYJLVSRIGLF-MRXNPFEDSA-N 2 2 307.401 3.223 20 0 DGADLP c1cc(CNc2c[nH+]c3c(c2)CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000657431582 436198485 /nfs/dbraw/zinc/19/84/85/436198485.db2.gz HANOJFYZTGMUKP-UHFFFAOYSA-N 2 2 305.385 3.153 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2ccccn2)c2ccccc2)n1C ZINC000657440317 436202459 /nfs/dbraw/zinc/20/24/59/436202459.db2.gz VUYIHBQACXEOOY-LJQANCHMSA-N 2 2 306.413 3.197 20 0 DGADLP Cc1ccc(CCC[NH2+][C@H](C(C)C)C2(CO)CC=CC2)c[nH+]1 ZINC000648069650 436203116 /nfs/dbraw/zinc/20/31/16/436203116.db2.gz ISGUUKVAPSGNBM-GOSISDBHSA-N 2 2 302.462 3.266 20 0 DGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n1C ZINC000648074519 436204636 /nfs/dbraw/zinc/20/46/36/436204636.db2.gz CMMPYOALRYIACP-GOSISDBHSA-N 2 2 322.456 3.379 20 0 DGADLP CN(C)c1[nH+]cc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n1C ZINC000648074519 436204641 /nfs/dbraw/zinc/20/46/41/436204641.db2.gz CMMPYOALRYIACP-GOSISDBHSA-N 2 2 322.456 3.379 20 0 DGADLP Cc1ccc(OCCC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000653592118 436218494 /nfs/dbraw/zinc/21/84/94/436218494.db2.gz MRFGWRJXMUUQRR-KRWDZBQOSA-N 2 2 313.445 3.295 20 0 DGADLP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1OC(C)C ZINC000657522271 436231766 /nfs/dbraw/zinc/23/17/66/436231766.db2.gz CIVRALXYYWPUKQ-INIZCTEOSA-N 2 2 320.477 3.445 20 0 DGADLP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1OC(C)C ZINC000657522271 436231769 /nfs/dbraw/zinc/23/17/69/436231769.db2.gz CIVRALXYYWPUKQ-INIZCTEOSA-N 2 2 320.477 3.445 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752197 436294862 /nfs/dbraw/zinc/29/48/62/436294862.db2.gz NHJRHQCKTYIFLA-KBXCAEBGSA-N 2 2 322.880 3.114 20 0 DGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657753516 436295555 /nfs/dbraw/zinc/29/55/55/436295555.db2.gz XEQWTQMCAZEXJV-NZSAHSFTSA-N 2 2 308.510 3.434 20 0 DGADLP Cc1ccc2c(c1Br)C[N@H+](CCc1c[nH+]cn1C)C2 ZINC000662192127 436295888 /nfs/dbraw/zinc/29/58/88/436295888.db2.gz RQHMRNPKONANEJ-UHFFFAOYSA-N 2 2 320.234 3.049 20 0 DGADLP Cc1ccc2c(c1Br)C[N@@H+](CCc1c[nH+]cn1C)C2 ZINC000662192127 436295893 /nfs/dbraw/zinc/29/58/93/436295893.db2.gz RQHMRNPKONANEJ-UHFFFAOYSA-N 2 2 320.234 3.049 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657588381 436254703 /nfs/dbraw/zinc/25/47/03/436254703.db2.gz PMHAUEPANJPXDK-PXNSSMCTSA-N 2 2 309.457 3.358 20 0 DGADLP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657588381 436254707 /nfs/dbraw/zinc/25/47/07/436254707.db2.gz PMHAUEPANJPXDK-PXNSSMCTSA-N 2 2 309.457 3.358 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000666617829 436254804 /nfs/dbraw/zinc/25/48/04/436254804.db2.gz NJAVVXIEUNEISJ-CQSZACIVSA-N 2 2 301.434 3.395 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000666617829 436254807 /nfs/dbraw/zinc/25/48/07/436254807.db2.gz NJAVVXIEUNEISJ-CQSZACIVSA-N 2 2 301.434 3.395 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657588188 436255346 /nfs/dbraw/zinc/25/53/46/436255346.db2.gz PCJNAORVPDMXQZ-YLJYHZDGSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1ccncc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657588188 436255352 /nfs/dbraw/zinc/25/53/52/436255352.db2.gz PCJNAORVPDMXQZ-YLJYHZDGSA-N 2 2 309.457 3.185 20 0 DGADLP Cc1[nH+]cc(C[NH2+]CCc2cnccc2C)n1-c1ccccc1 ZINC000657588988 436255695 /nfs/dbraw/zinc/25/56/95/436255695.db2.gz YZPRTOVMCHZLSX-UHFFFAOYSA-N 2 2 306.413 3.216 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666721205 436270972 /nfs/dbraw/zinc/27/09/72/436270972.db2.gz ANFWCHYLWYFDNP-AUUYWEPGSA-N 2 2 314.404 3.326 20 0 DGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666721205 436270975 /nfs/dbraw/zinc/27/09/75/436270975.db2.gz ANFWCHYLWYFDNP-AUUYWEPGSA-N 2 2 314.404 3.326 20 0 DGADLP C[C@@]1(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1(F)F ZINC000657671314 436275186 /nfs/dbraw/zinc/27/51/86/436275186.db2.gz SSVWESIMMUNLNF-MRXNPFEDSA-N 2 2 309.404 3.071 20 0 DGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768207 436277245 /nfs/dbraw/zinc/27/72/45/436277245.db2.gz BREBAMXMHQLUSY-MRXNPFEDSA-N 2 2 318.852 3.066 20 0 DGADLP FC(F)Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000666764850 436277316 /nfs/dbraw/zinc/27/73/16/436277316.db2.gz VQHUNPKTGRUFHI-SNVBAGLBSA-N 2 2 304.768 3.031 20 0 DGADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1Cl ZINC000666769251 436277545 /nfs/dbraw/zinc/27/75/45/436277545.db2.gz WYTMVRRFOWKAJQ-LLVKDONJSA-N 2 2 304.768 3.173 20 0 DGADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000657692673 436280405 /nfs/dbraw/zinc/28/04/05/436280405.db2.gz BTQYILHDYNOPGK-HXUWFJFHSA-N 2 2 323.440 3.029 20 0 DGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657930781 436342957 /nfs/dbraw/zinc/34/29/57/436342957.db2.gz KVHDDFFGIAFSKM-DOTOQJQBSA-N 2 2 319.518 3.482 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657793003 436307781 /nfs/dbraw/zinc/30/77/81/436307781.db2.gz GYGZFESGWILNIO-SJLPKXTDSA-N 2 2 324.472 3.268 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nccn1C ZINC000657793003 436307785 /nfs/dbraw/zinc/30/77/85/436307785.db2.gz GYGZFESGWILNIO-SJLPKXTDSA-N 2 2 324.472 3.268 20 0 DGADLP C[N@H+](Cc1oc2ccccc2c1Br)C1CC[NH2+]CC1 ZINC000662237974 436308837 /nfs/dbraw/zinc/30/88/37/436308837.db2.gz MAJYLVLVNGHPCH-UHFFFAOYSA-N 2 2 323.234 3.379 20 0 DGADLP C[N@@H+](Cc1oc2ccccc2c1Br)C1CC[NH2+]CC1 ZINC000662237974 436308841 /nfs/dbraw/zinc/30/88/41/436308841.db2.gz MAJYLVLVNGHPCH-UHFFFAOYSA-N 2 2 323.234 3.379 20 0 DGADLP [NH3+]C1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000662241793 436312059 /nfs/dbraw/zinc/31/20/59/436312059.db2.gz XJYWDKWKDPAZKI-UHFFFAOYSA-N 2 2 309.207 3.118 20 0 DGADLP Clc1ccc(C2([NH2+]C[C@H]3C[NH2+]CCO3)CCCCC2)cc1 ZINC000662257199 436312829 /nfs/dbraw/zinc/31/28/29/436312829.db2.gz BJPGHTORLRNGMW-MRXNPFEDSA-N 2 2 308.853 3.077 20 0 DGADLP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948196 436313027 /nfs/dbraw/zinc/31/30/27/436313027.db2.gz UYTYDRPXRCDCKG-UGFHNGPFSA-N 2 2 318.358 3.316 20 0 DGADLP c1ccc2c(c1)cccc2C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662255661 436314229 /nfs/dbraw/zinc/31/42/29/436314229.db2.gz ZWNBONAWAHSXRR-SFHVURJKSA-N 2 2 310.441 3.008 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657842528 436323574 /nfs/dbraw/zinc/32/35/74/436323574.db2.gz BWMDTOINPKMYPD-ZIAGYGMSSA-N 2 2 302.453 3.420 20 0 DGADLP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1CC[NH3+] ZINC000662285431 436323868 /nfs/dbraw/zinc/32/38/68/436323868.db2.gz JOFMXTQVZYQZKG-BXUZGUMPSA-N 2 2 316.367 3.376 20 0 DGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)[C@@H]1CC[NH3+] ZINC000662285431 436323871 /nfs/dbraw/zinc/32/38/71/436323871.db2.gz JOFMXTQVZYQZKG-BXUZGUMPSA-N 2 2 316.367 3.376 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCCn2nccc21)[N@H+]1CCc2ccccc2C1 ZINC000657849702 436324885 /nfs/dbraw/zinc/32/48/85/436324885.db2.gz JHDVSFDVNSMLFZ-GOSISDBHSA-N 2 2 324.472 3.145 20 0 DGADLP [NH3+][C@@H]1C[N@H+](CCCSc2ccccc2Cl)CC[C@H]1F ZINC000662325036 436331181 /nfs/dbraw/zinc/33/11/81/436331181.db2.gz HAVXTLOEWDRJBT-CHWSQXEVSA-N 2 2 302.846 3.193 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@H]1F ZINC000662325036 436331184 /nfs/dbraw/zinc/33/11/84/436331184.db2.gz HAVXTLOEWDRJBT-CHWSQXEVSA-N 2 2 302.846 3.193 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876201 436331497 /nfs/dbraw/zinc/33/14/97/436331497.db2.gz KSTLFBUVDHPKAC-IUODEOHRSA-N 2 2 301.459 3.431 20 0 DGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000657876201 436331501 /nfs/dbraw/zinc/33/15/01/436331501.db2.gz KSTLFBUVDHPKAC-IUODEOHRSA-N 2 2 301.459 3.431 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@H]1c1ccccc1F ZINC000667051203 436332531 /nfs/dbraw/zinc/33/25/31/436332531.db2.gz FKITVIDEGSKGHZ-AZUAARDMSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@H]1c1ccccc1F ZINC000667051203 436332535 /nfs/dbraw/zinc/33/25/35/436332535.db2.gz FKITVIDEGSKGHZ-AZUAARDMSA-N 2 2 321.399 3.301 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)C[N@@H+]1Cc1ccccc1 ZINC000657904400 436338805 /nfs/dbraw/zinc/33/88/05/436338805.db2.gz LSIUFCRVQXNSDN-ZBFHGGJFSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)C[N@H+]1Cc1ccccc1 ZINC000657904400 436338808 /nfs/dbraw/zinc/33/88/08/436338808.db2.gz LSIUFCRVQXNSDN-ZBFHGGJFSA-N 2 2 308.416 3.327 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056515 436360395 /nfs/dbraw/zinc/36/03/95/436360395.db2.gz LOJKNHNRMUNEPC-GDBMZVCRSA-N 2 2 318.461 3.199 20 0 DGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056515 436360399 /nfs/dbraw/zinc/36/03/99/436360399.db2.gz LOJKNHNRMUNEPC-GDBMZVCRSA-N 2 2 318.461 3.199 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658058052 436360959 /nfs/dbraw/zinc/36/09/59/436360959.db2.gz RQGVUFVFYKRVDM-SUMWQHHRSA-N 2 2 303.450 3.168 20 0 DGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658058052 436360963 /nfs/dbraw/zinc/36/09/63/436360963.db2.gz RQGVUFVFYKRVDM-SUMWQHHRSA-N 2 2 303.450 3.168 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000658056977 436361983 /nfs/dbraw/zinc/36/19/83/436361983.db2.gz MUYYIDLMDIROPN-UKRRQHHQSA-N 2 2 306.450 3.227 20 0 DGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000658056977 436361988 /nfs/dbraw/zinc/36/19/88/436361988.db2.gz MUYYIDLMDIROPN-UKRRQHHQSA-N 2 2 306.450 3.227 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061593 436362673 /nfs/dbraw/zinc/36/26/73/436362673.db2.gz PIUHWYOFGOLFBW-ZFWWWQNUSA-N 2 2 306.498 3.470 20 0 DGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)(C)C ZINC000658061593 436362678 /nfs/dbraw/zinc/36/26/78/436362678.db2.gz PIUHWYOFGOLFBW-ZFWWWQNUSA-N 2 2 306.498 3.470 20 0 DGADLP CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095767 436374176 /nfs/dbraw/zinc/37/41/76/436374176.db2.gz LOXAJAROZDOFON-HZPDHXFCSA-N 2 2 316.424 3.101 20 0 DGADLP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000658095767 436374179 /nfs/dbraw/zinc/37/41/79/436374179.db2.gz LOXAJAROZDOFON-HZPDHXFCSA-N 2 2 316.424 3.101 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1 ZINC000658101981 436374808 /nfs/dbraw/zinc/37/48/08/436374808.db2.gz NZWJHUNGQPOUTD-GDZNZVCISA-N 2 2 322.416 3.129 20 0 DGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000658101983 436374884 /nfs/dbraw/zinc/37/48/84/436374884.db2.gz NZWJHUNGQPOUTD-IIYDPXPESA-N 2 2 322.416 3.129 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658207743 436400374 /nfs/dbraw/zinc/40/03/74/436400374.db2.gz WTYADWXOFGYRCN-QQBOBMDFSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658207743 436400377 /nfs/dbraw/zinc/40/03/77/436400377.db2.gz WTYADWXOFGYRCN-QQBOBMDFSA-N 2 2 313.489 3.318 20 0 DGADLP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000658220279 436403478 /nfs/dbraw/zinc/40/34/78/436403478.db2.gz PKBVOGBQKBEING-NEWSRXKRSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000658220279 436403480 /nfs/dbraw/zinc/40/34/80/436403480.db2.gz PKBVOGBQKBEING-NEWSRXKRSA-N 2 2 302.462 3.198 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222319 436403998 /nfs/dbraw/zinc/40/39/98/436403998.db2.gz QVFLKAIPRASATM-PVAVHDDUSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658222319 436404001 /nfs/dbraw/zinc/40/40/01/436404001.db2.gz QVFLKAIPRASATM-PVAVHDDUSA-N 2 2 323.431 3.317 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC000658220451 436404199 /nfs/dbraw/zinc/40/41/99/436404199.db2.gz HFNDSFGFJOMLOX-QFBILLFUSA-N 2 2 301.478 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC000658220451 436404202 /nfs/dbraw/zinc/40/42/02/436404202.db2.gz HFNDSFGFJOMLOX-QFBILLFUSA-N 2 2 301.478 3.462 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658054636 436359237 /nfs/dbraw/zinc/35/92/37/436359237.db2.gz FTSIJCKROFCONQ-RDJZCZTQSA-N 2 2 320.477 3.235 20 0 DGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658054636 436359241 /nfs/dbraw/zinc/35/92/41/436359241.db2.gz FTSIJCKROFCONQ-RDJZCZTQSA-N 2 2 320.477 3.235 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1N(C)C ZINC000658055392 436360168 /nfs/dbraw/zinc/36/01/68/436360168.db2.gz IFINOQFFGQTLOA-ZFWWWQNUSA-N 2 2 307.457 3.415 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CCC2)c1 ZINC000658323645 436430238 /nfs/dbraw/zinc/43/02/38/436430238.db2.gz OIXWGSVZBCNHOY-KSSFIOAISA-N 2 2 300.446 3.147 20 0 DGADLP COc1cccc(C2([NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)CCC2)c1 ZINC000658323645 436430243 /nfs/dbraw/zinc/43/02/43/436430243.db2.gz OIXWGSVZBCNHOY-KSSFIOAISA-N 2 2 300.446 3.147 20 0 DGADLP CO[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000658330875 436432604 /nfs/dbraw/zinc/43/26/04/436432604.db2.gz VNBZQDFIVDIULI-SFHVURJKSA-N 2 2 317.477 3.235 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCOC2(C)C)CCC[N@@H+]1Cc1ccccc1 ZINC000658333682 436433241 /nfs/dbraw/zinc/43/32/41/436433241.db2.gz YQBHSQUNQRTALX-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCOC2(C)C)CCC[N@H+]1Cc1ccccc1 ZINC000658333682 436433244 /nfs/dbraw/zinc/43/32/44/436433244.db2.gz YQBHSQUNQRTALX-BHIYHBOVSA-N 2 2 316.489 3.444 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nccn1C ZINC000658336057 436434697 /nfs/dbraw/zinc/43/46/97/436434697.db2.gz MKTVNDXJBHDGTH-INMHGKMJSA-N 2 2 304.482 3.114 20 0 DGADLP C[NH+](C)[C@H](CNc1[nH+]ccc2c(N)cccc21)Cc1ccccc1 ZINC000663328609 436438844 /nfs/dbraw/zinc/43/88/44/436438844.db2.gz SGVCXEFIHGSZIU-INIZCTEOSA-N 2 2 320.440 3.402 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CCC([NH+]2CCCCC2)CC1 ZINC000663393194 436452996 /nfs/dbraw/zinc/45/29/96/436452996.db2.gz ACHKJXXYQQSSLV-UHFFFAOYSA-N 2 2 310.445 3.272 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464961 436463259 /nfs/dbraw/zinc/46/32/59/436463259.db2.gz HORVSTRJDAJWFQ-WBVHZDCISA-N 2 2 312.461 3.107 20 0 DGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cn2ccccc2n1 ZINC000663464961 436463263 /nfs/dbraw/zinc/46/32/63/436463263.db2.gz HORVSTRJDAJWFQ-WBVHZDCISA-N 2 2 312.461 3.107 20 0 DGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658252313 436411858 /nfs/dbraw/zinc/41/18/58/436411858.db2.gz JFCZREACBXSDAR-XBVQOTNRSA-N 2 2 306.494 3.185 20 0 DGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000658252313 436411859 /nfs/dbraw/zinc/41/18/59/436411859.db2.gz JFCZREACBXSDAR-XBVQOTNRSA-N 2 2 306.494 3.185 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658288070 436418329 /nfs/dbraw/zinc/41/83/29/436418329.db2.gz RBMMVDRKLUIMIR-INIZCTEOSA-N 2 2 323.431 3.008 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658288070 436418333 /nfs/dbraw/zinc/41/83/33/436418333.db2.gz RBMMVDRKLUIMIR-INIZCTEOSA-N 2 2 323.431 3.008 20 0 DGADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccncc1 ZINC000658293427 436420405 /nfs/dbraw/zinc/42/04/05/436420405.db2.gz AEQJKJFIUTYHPX-OALUTQOASA-N 2 2 317.477 3.012 20 0 DGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)o1 ZINC000658294858 436420884 /nfs/dbraw/zinc/42/08/84/436420884.db2.gz PRKSSYXDFBCVAR-HKUYNNGSSA-N 2 2 318.461 3.272 20 0 DGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658293471 436421057 /nfs/dbraw/zinc/42/10/57/436421057.db2.gz AOUGOYUWIWMKNJ-MOPGFXCFSA-N 2 2 314.473 3.134 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000658292224 436421122 /nfs/dbraw/zinc/42/11/22/436421122.db2.gz RSTIMWCYVTWHCT-ZFWWWQNUSA-N 2 2 308.491 3.214 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000663646512 436484591 /nfs/dbraw/zinc/48/45/91/436484591.db2.gz DRPIACHCLYPTIY-ZDUSSCGKSA-N 2 2 313.367 3.331 20 0 DGADLP Cc1cc(CO)cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)[nH+]1 ZINC000663670566 436488633 /nfs/dbraw/zinc/48/86/33/436488633.db2.gz LBGCBUGBPRYIKR-QGZVFWFLSA-N 2 2 322.412 3.012 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000663740191 436499447 /nfs/dbraw/zinc/49/94/47/436499447.db2.gz BIDJQRVYRBSOPJ-CYBMUJFWSA-N 2 2 322.334 3.495 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000663736489 436499779 /nfs/dbraw/zinc/49/97/79/436499779.db2.gz XKBCUCQDLKQBBC-IFXJQAMLSA-N 2 2 322.456 3.270 20 0 DGADLP Nc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000663736489 436499784 /nfs/dbraw/zinc/49/97/84/436499784.db2.gz XKBCUCQDLKQBBC-IFXJQAMLSA-N 2 2 322.456 3.270 20 0 DGADLP Cc1cc(C(F)(F)F)cc(N2CC[C@H](c3[nH+]ccn3C)C2)[nH+]1 ZINC000663748220 436502035 /nfs/dbraw/zinc/50/20/35/436502035.db2.gz OAJNSPIZUXRDRQ-NSHDSACASA-N 2 2 310.323 3.136 20 0 DGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814305 436533179 /nfs/dbraw/zinc/53/31/79/436533179.db2.gz MLHBAUQXUVMYDP-HFTRVMKXSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814305 436533184 /nfs/dbraw/zinc/53/31/84/436533184.db2.gz MLHBAUQXUVMYDP-HFTRVMKXSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814305 436533188 /nfs/dbraw/zinc/53/31/88/436533188.db2.gz MLHBAUQXUVMYDP-HFTRVMKXSA-N 2 2 320.477 3.069 20 0 DGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659814305 436533193 /nfs/dbraw/zinc/53/31/93/436533193.db2.gz MLHBAUQXUVMYDP-HFTRVMKXSA-N 2 2 320.477 3.069 20 0 DGADLP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858413 436546795 /nfs/dbraw/zinc/54/67/95/436546795.db2.gz DKEODMXHOKDRQJ-IAGOWNOFSA-N 2 2 322.493 3.169 20 0 DGADLP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858413 436546798 /nfs/dbraw/zinc/54/67/98/436546798.db2.gz DKEODMXHOKDRQJ-IAGOWNOFSA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858413 436546801 /nfs/dbraw/zinc/54/68/01/436546801.db2.gz DKEODMXHOKDRQJ-IAGOWNOFSA-N 2 2 322.493 3.169 20 0 DGADLP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1ccccc1OC ZINC000659858413 436546805 /nfs/dbraw/zinc/54/68/05/436546805.db2.gz DKEODMXHOKDRQJ-IAGOWNOFSA-N 2 2 322.493 3.169 20 0 DGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447399 436550754 /nfs/dbraw/zinc/55/07/54/436550754.db2.gz QZJPPXVIZWWLFF-IFXJQAMLSA-N 2 2 324.428 3.159 20 0 DGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000659878918 436554044 /nfs/dbraw/zinc/55/40/44/436554044.db2.gz RXEZAIZBUAXFPO-OAHLLOKOSA-N 2 2 323.506 3.240 20 0 DGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000659878918 436554049 /nfs/dbraw/zinc/55/40/49/436554049.db2.gz RXEZAIZBUAXFPO-OAHLLOKOSA-N 2 2 323.506 3.240 20 0 DGADLP C[N@@H+](Cc1cc(F)ccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000659949247 436565204 /nfs/dbraw/zinc/56/52/04/436565204.db2.gz SFJRTZXYFIOIFZ-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[N@H+](Cc1cc(F)ccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000659949247 436565207 /nfs/dbraw/zinc/56/52/07/436565207.db2.gz SFJRTZXYFIOIFZ-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cc(F)ccc1OC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000659949247 436565211 /nfs/dbraw/zinc/56/52/11/436565211.db2.gz SFJRTZXYFIOIFZ-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP C[NH+](Cc1cc(F)ccc1OC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659949247 436565214 /nfs/dbraw/zinc/56/52/14/436565214.db2.gz SFJRTZXYFIOIFZ-GFCCVEGCSA-N 2 2 316.367 3.201 20 0 DGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655684743 436574447 /nfs/dbraw/zinc/57/44/47/436574447.db2.gz VPWWFEXXRNVYSH-HNAYVOBHSA-N 2 2 302.462 3.153 20 0 DGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655684699 436574564 /nfs/dbraw/zinc/57/45/64/436574564.db2.gz VPWWFEXXRNVYSH-DNVCBOLYSA-N 2 2 302.462 3.153 20 0 DGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccc(F)cc2F)C1 ZINC000659990081 436575375 /nfs/dbraw/zinc/57/53/75/436575375.db2.gz XPZDXIAMXWPYSK-CYBMUJFWSA-N 2 2 314.445 3.331 20 0 DGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccc(F)cc2F)C1 ZINC000659990081 436575378 /nfs/dbraw/zinc/57/53/78/436575378.db2.gz XPZDXIAMXWPYSK-CYBMUJFWSA-N 2 2 314.445 3.331 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000659990081 436575380 /nfs/dbraw/zinc/57/53/80/436575380.db2.gz XPZDXIAMXWPYSK-CYBMUJFWSA-N 2 2 314.445 3.331 20 0 DGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000659990081 436575383 /nfs/dbraw/zinc/57/53/83/436575383.db2.gz XPZDXIAMXWPYSK-CYBMUJFWSA-N 2 2 314.445 3.331 20 0 DGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C)cc1 ZINC000655693329 436575558 /nfs/dbraw/zinc/57/55/58/436575558.db2.gz XJGSTOVMSYYKDA-OALUTQOASA-N 2 2 302.462 3.289 20 0 DGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000655689082 436575617 /nfs/dbraw/zinc/57/56/17/436575617.db2.gz WQXSFGQLOOQAMM-HUUCEWRRSA-N 2 2 314.564 3.222 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1nsc2ccccc21 ZINC000659996022 436576934 /nfs/dbraw/zinc/57/69/34/436576934.db2.gz DEIXHHIXNAULLG-CABCVRRESA-N 2 2 315.486 3.397 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1nsc2ccccc21 ZINC000659996022 436576937 /nfs/dbraw/zinc/57/69/37/436576937.db2.gz DEIXHHIXNAULLG-CABCVRRESA-N 2 2 315.486 3.397 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nsc2ccccc21 ZINC000659996022 436576939 /nfs/dbraw/zinc/57/69/39/436576939.db2.gz DEIXHHIXNAULLG-CABCVRRESA-N 2 2 315.486 3.397 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1nsc2ccccc21 ZINC000659996022 436576942 /nfs/dbraw/zinc/57/69/42/436576942.db2.gz DEIXHHIXNAULLG-CABCVRRESA-N 2 2 315.486 3.397 20 0 DGADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660111432 436589816 /nfs/dbraw/zinc/58/98/16/436589816.db2.gz FCPTZZGDNPDJLD-IEBWSBKVSA-N 2 2 324.472 3.126 20 0 DGADLP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203173 436605852 /nfs/dbraw/zinc/60/58/52/436605852.db2.gz XIZDWBOERYVYGV-YOEHRIQHSA-N 2 2 314.420 3.097 20 0 DGADLP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(F)cc1F ZINC000660203173 436605854 /nfs/dbraw/zinc/60/58/54/436605854.db2.gz XIZDWBOERYVYGV-YOEHRIQHSA-N 2 2 314.420 3.097 20 0 DGADLP C[C@H]([NH2+]Cc1cc(C2CC2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256188 436614562 /nfs/dbraw/zinc/61/45/62/436614562.db2.gz JMXXHWJZECTSML-ZFWWWQNUSA-N 2 2 303.450 3.295 20 0 DGADLP C[C@H]([NH2+]Cc1cc(C2CC2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256188 436614567 /nfs/dbraw/zinc/61/45/67/436614567.db2.gz JMXXHWJZECTSML-ZFWWWQNUSA-N 2 2 303.450 3.295 20 0 DGADLP [NH3+]CC1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000423093772 303371118 /nfs/dbraw/zinc/37/11/18/303371118.db2.gz AJOYTODNQNMUGZ-UHFFFAOYSA-N 3 2 307.526 3.140 20 0 DGADLP Brc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000377111799 313018081 /nfs/dbraw/zinc/01/80/81/313018081.db2.gz IUIRMTUBWGRUAK-UHFFFAOYSA-N 2 2 320.234 3.272 20 0 DGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000377263249 313034704 /nfs/dbraw/zinc/03/47/04/313034704.db2.gz WSCJNKYRSBDUBR-AWEZNQCLSA-N 2 2 319.836 3.462 20 0 DGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000377263249 313034708 /nfs/dbraw/zinc/03/47/08/313034708.db2.gz WSCJNKYRSBDUBR-AWEZNQCLSA-N 2 2 319.836 3.462 20 0 DGADLP CCCc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528728369 313066677 /nfs/dbraw/zinc/06/66/77/313066677.db2.gz NHROSZFFDBJYET-UHFFFAOYSA-N 2 2 316.489 3.326 20 0 DGADLP CC[C@H](c1ccccc1)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726887 313067028 /nfs/dbraw/zinc/06/70/28/313067028.db2.gz GIDUKVZHSIOUHF-GOSISDBHSA-N 2 2 302.462 3.324 20 0 DGADLP CC[NH+](CC)CCC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762951 313076442 /nfs/dbraw/zinc/07/64/42/313076442.db2.gz PQHGIHFDTQNZBR-UHFFFAOYSA-N 2 2 314.477 3.022 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000529539172 313222071 /nfs/dbraw/zinc/22/20/71/313222071.db2.gz TZKAIOOLMMFQHR-KRWDZBQOSA-N 2 2 313.420 3.223 20 0 DGADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000529539172 313222074 /nfs/dbraw/zinc/22/20/74/313222074.db2.gz TZKAIOOLMMFQHR-KRWDZBQOSA-N 2 2 313.420 3.223 20 0 DGADLP Fc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nc1 ZINC000529566686 313229157 /nfs/dbraw/zinc/22/91/57/313229157.db2.gz LQNHPCCBUCYAKA-RBUKOAKNSA-N 2 2 322.387 3.436 20 0 DGADLP COc1cccc([C@@H]2C[N@H+](Cc3c[nH+]c(C)n3C)CC2(C)C)c1 ZINC000529638737 313245096 /nfs/dbraw/zinc/24/50/96/313245096.db2.gz DXRICLULDPXWKN-SFHVURJKSA-N 2 2 313.445 3.363 20 0 DGADLP COc1cccc([C@@H]2C[N@@H+](Cc3c[nH+]c(C)n3C)CC2(C)C)c1 ZINC000529638737 313245098 /nfs/dbraw/zinc/24/50/98/313245098.db2.gz DXRICLULDPXWKN-SFHVURJKSA-N 2 2 313.445 3.363 20 0 DGADLP COc1ccc([C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C2CC2)cn1 ZINC000529688110 313254542 /nfs/dbraw/zinc/25/45/42/313254542.db2.gz IFWJCJSBLDQCFH-IBGZPJMESA-N 2 2 311.429 3.467 20 0 DGADLP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179996 313334705 /nfs/dbraw/zinc/33/47/05/313334705.db2.gz ZKUSPBSHTHYONS-CQSZACIVSA-N 2 2 314.351 3.002 20 0 DGADLP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1 ZINC000531291570 313447324 /nfs/dbraw/zinc/44/73/24/313447324.db2.gz ZRGAKRZVUCVYKT-UHFFFAOYSA-N 2 2 320.396 3.391 20 0 DGADLP Cn1c[nH+]cc1C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000531587521 313471895 /nfs/dbraw/zinc/47/18/95/313471895.db2.gz DFPZMZMFZDIPEB-MRXNPFEDSA-N 2 2 301.390 3.500 20 0 DGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC(=O)Nc3ccccc31)CCC2 ZINC000542471889 314078650 /nfs/dbraw/zinc/07/86/50/314078650.db2.gz GCDUVKCGHQJAPZ-GOEBONIOSA-N 2 2 324.428 3.132 20 0 DGADLP CC[N@H+](CCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000543419078 314132637 /nfs/dbraw/zinc/13/26/37/314132637.db2.gz OBBXPWKCQQUJTO-INIZCTEOSA-N 2 2 319.493 3.186 20 0 DGADLP CC[N@@H+](CCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1ccccc1 ZINC000543419078 314132639 /nfs/dbraw/zinc/13/26/39/314132639.db2.gz OBBXPWKCQQUJTO-INIZCTEOSA-N 2 2 319.493 3.186 20 0 DGADLP CC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592383 314144010 /nfs/dbraw/zinc/14/40/10/314144010.db2.gz STBJQXDYWBEVPE-WMZOPIPTSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000543592383 314144014 /nfs/dbraw/zinc/14/40/14/314144014.db2.gz STBJQXDYWBEVPE-WMZOPIPTSA-N 2 2 314.477 3.371 20 0 DGADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1ccn(C)n1 ZINC000543602998 314144966 /nfs/dbraw/zinc/14/49/66/314144966.db2.gz WYNIRRAGTAWCPI-OAHLLOKOSA-N 2 2 311.433 3.209 20 0 DGADLP CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC)c1ccn(C)n1 ZINC000544567849 314199157 /nfs/dbraw/zinc/19/91/57/314199157.db2.gz IZTRHDJIOSIKAK-IKGGRYGDSA-N 2 2 306.498 3.361 20 0 DGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610783 314202651 /nfs/dbraw/zinc/20/26/51/314202651.db2.gz DTUXXWWBQPNCCD-ABCZVMIZSA-N 2 2 306.400 3.396 20 0 DGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000544610783 314202654 /nfs/dbraw/zinc/20/26/54/314202654.db2.gz DTUXXWWBQPNCCD-ABCZVMIZSA-N 2 2 306.400 3.396 20 0 DGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000546655650 314318861 /nfs/dbraw/zinc/31/88/61/314318861.db2.gz APVNKNLQDZFZFQ-FVQBIDKESA-N 2 2 324.428 3.136 20 0 DGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccnn1-c1ccccc1 ZINC000547395335 314363998 /nfs/dbraw/zinc/36/39/98/314363998.db2.gz FDWMPGREHWXDHV-MRXNPFEDSA-N 2 2 309.417 3.200 20 0 DGADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2ccnn2C)c1 ZINC000549251446 314501340 /nfs/dbraw/zinc/50/13/40/314501340.db2.gz WHAOLCNISOXTSY-UHFFFAOYSA-N 2 2 323.444 3.162 20 0 DGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000552572076 314619678 /nfs/dbraw/zinc/61/96/78/314619678.db2.gz YNTHTVFBDMROEF-ZACQAIPSSA-N 2 2 315.461 3.182 20 0 DGADLP CCN(CC[NH+]1CCCCCC1)Cc1cn2cc(C)ccc2[nH+]1 ZINC000558127863 314830448 /nfs/dbraw/zinc/83/04/48/314830448.db2.gz YVNJMKNTDIHDCL-UHFFFAOYSA-N 2 2 314.477 3.341 20 0 DGADLP CCCOc1cccc2c(N3CC[C@H](C[NH+](C)C)C3)cc[nH+]c12 ZINC000558943328 314869457 /nfs/dbraw/zinc/86/94/57/314869457.db2.gz XBWBSWSPPNSGAH-OAHLLOKOSA-N 2 2 313.445 3.412 20 0 DGADLP CC(C)[NH+]1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000560194063 314906376 /nfs/dbraw/zinc/90/63/76/314906376.db2.gz URBIWDGGDKYRAI-UHFFFAOYSA-N 2 2 309.417 3.396 20 0 DGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000562057951 314994303 /nfs/dbraw/zinc/99/43/03/314994303.db2.gz KWCCMYLBQZOMCF-CABCVRRESA-N 2 2 300.368 3.493 20 0 DGADLP CC[NH2+]CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000562955749 315064601 /nfs/dbraw/zinc/06/46/01/315064601.db2.gz KRGZDSKUDHCVPD-GOSISDBHSA-N 2 2 301.409 3.208 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc2c1CCC2 ZINC000563112427 315079641 /nfs/dbraw/zinc/07/96/41/315079641.db2.gz ZAVHMLBDKUTRBE-UHFFFAOYSA-N 2 2 313.489 3.457 20 0 DGADLP COc1cc(F)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1OC ZINC000563255340 315095497 /nfs/dbraw/zinc/09/54/97/315095497.db2.gz KTYLGKJUPXOKLM-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)CC ZINC000563423484 315114118 /nfs/dbraw/zinc/11/41/18/315114118.db2.gz NFKVCVAZJZBBOO-OAHLLOKOSA-N 2 2 303.450 3.082 20 0 DGADLP CCCCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)CC ZINC000563423484 315114121 /nfs/dbraw/zinc/11/41/21/315114121.db2.gz NFKVCVAZJZBBOO-OAHLLOKOSA-N 2 2 303.450 3.082 20 0 DGADLP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000563447648 315117167 /nfs/dbraw/zinc/11/71/67/315117167.db2.gz WSPLCRODLVSKLW-INIZCTEOSA-N 2 2 324.453 3.115 20 0 DGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000564400815 315173528 /nfs/dbraw/zinc/17/35/28/315173528.db2.gz TZOSDPGTVHNRFQ-UHFFFAOYSA-N 2 2 322.412 3.310 20 0 DGADLP Cc1cc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc(C)c1F ZINC000564981578 315217060 /nfs/dbraw/zinc/21/70/60/315217060.db2.gz IDLJTTGMECCKDO-UHFFFAOYSA-N 2 2 319.449 3.489 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000565894102 315295285 /nfs/dbraw/zinc/29/52/85/315295285.db2.gz DUVZFDNJYPCALN-NWDGAFQWSA-N 2 2 308.376 3.163 20 0 DGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000565894102 315295287 /nfs/dbraw/zinc/29/52/87/315295287.db2.gz DUVZFDNJYPCALN-NWDGAFQWSA-N 2 2 308.376 3.163 20 0 DGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565928640 315298343 /nfs/dbraw/zinc/29/83/43/315298343.db2.gz MEADCTQBZQHHGW-OAHLLOKOSA-N 2 2 304.825 3.336 20 0 DGADLP O[C@@H](CCc1ccccc1)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000566109107 315312770 /nfs/dbraw/zinc/31/27/70/315312770.db2.gz LUSFUSNQKBDQFB-KRWDZBQOSA-N 2 2 323.440 3.079 20 0 DGADLP C[C@H](O)[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1F ZINC000566338308 315335742 /nfs/dbraw/zinc/33/57/42/315335742.db2.gz AILKRENZRVVQPA-LIRRHRJNSA-N 2 2 320.452 3.244 20 0 DGADLP Cc1ccc[nH+]c1CCc1noc([C@H](C)[NH+]2CCCCCC2)n1 ZINC000567074289 315394940 /nfs/dbraw/zinc/39/49/40/315394940.db2.gz CQCWVOFFOOHYKT-HNNXBMFYSA-N 2 2 314.433 3.495 20 0 DGADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000567368169 315416990 /nfs/dbraw/zinc/41/69/90/315416990.db2.gz NTOCQDUNYSQYSN-YTQUADARSA-N 2 2 313.445 3.169 20 0 DGADLP COc1cccc(C2(C[NH2+]Cc3c[nH+]c(C)n3C)CCCC2)c1 ZINC000568269310 315497852 /nfs/dbraw/zinc/49/78/52/315497852.db2.gz HMBPFOUMUNPBCQ-UHFFFAOYSA-N 2 2 313.445 3.339 20 0 DGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000568740818 315533037 /nfs/dbraw/zinc/53/30/37/315533037.db2.gz UQWXDJOQMIHCMU-SNVBAGLBSA-N 2 2 318.234 3.022 20 0 DGADLP C[C@H](c1ccccc1Cl)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000573925277 315915007 /nfs/dbraw/zinc/91/50/07/315915007.db2.gz UIBZHNGYXWLQTJ-CQSZACIVSA-N 2 2 322.880 3.228 20 0 DGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cs2)cc1 ZINC000574877034 316010592 /nfs/dbraw/zinc/01/05/92/316010592.db2.gz GSATWFPWINKQGZ-KBPBESRZSA-N 2 2 319.474 3.246 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000575988738 316083130 /nfs/dbraw/zinc/08/31/30/316083130.db2.gz XZWDNFRQTZHVOZ-ROUUACIJSA-N 2 2 318.509 3.361 20 0 DGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000575988738 316083132 /nfs/dbraw/zinc/08/31/32/316083132.db2.gz XZWDNFRQTZHVOZ-ROUUACIJSA-N 2 2 318.509 3.361 20 0 DGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169363 316102622 /nfs/dbraw/zinc/10/26/22/316102622.db2.gz HGVVRJYSUTVLKK-ZJUUUORDSA-N 2 2 323.239 3.096 20 0 DGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000576169363 316102623 /nfs/dbraw/zinc/10/26/23/316102623.db2.gz HGVVRJYSUTVLKK-ZJUUUORDSA-N 2 2 323.239 3.096 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H](C)O1 ZINC000576192311 316104272 /nfs/dbraw/zinc/10/42/72/316104272.db2.gz HTCHTSHYHMAYDE-NHAGDIPZSA-N 2 2 303.381 3.057 20 0 DGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000576386754 316124448 /nfs/dbraw/zinc/12/44/48/316124448.db2.gz VXCBYNKGLPGHTI-QZTJIDSGSA-N 2 2 302.462 3.359 20 0 DGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000576386757 316124723 /nfs/dbraw/zinc/12/47/23/316124723.db2.gz VXCBYNKGLPGHTI-ZWKOTPCHSA-N 2 2 302.462 3.359 20 0 DGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576594451 316147370 /nfs/dbraw/zinc/14/73/70/316147370.db2.gz ZKOSWQFDXUBWMK-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576594451 316147373 /nfs/dbraw/zinc/14/73/73/316147373.db2.gz ZKOSWQFDXUBWMK-ZDUSSCGKSA-N 2 2 319.836 3.462 20 0 DGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000577708283 316261924 /nfs/dbraw/zinc/26/19/24/316261924.db2.gz ZUSVOWOHFUFABY-AEFFLSMTSA-N 2 2 322.880 3.154 20 0 DGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000577708283 316261926 /nfs/dbraw/zinc/26/19/26/316261926.db2.gz ZUSVOWOHFUFABY-AEFFLSMTSA-N 2 2 322.880 3.154 20 0 DGADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000577861876 316278316 /nfs/dbraw/zinc/27/83/16/316278316.db2.gz OVVMMSYLVQWFOR-KRWDZBQOSA-N 2 2 313.445 3.295 20 0 DGADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000577861876 316278320 /nfs/dbraw/zinc/27/83/20/316278320.db2.gz OVVMMSYLVQWFOR-KRWDZBQOSA-N 2 2 313.445 3.295 20 0 DGADLP C[C@@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1c[nH+]ccc1N ZINC000578062744 316299231 /nfs/dbraw/zinc/29/92/31/316299231.db2.gz VKUBGDWMBUWUDD-MRXNPFEDSA-N 2 2 316.493 3.191 20 0 DGADLP C[C@@H]([NH2+]CCN1CCC2(CCCCC2)CC1)c1c[nH+]ccc1N ZINC000578062744 316299234 /nfs/dbraw/zinc/29/92/34/316299234.db2.gz VKUBGDWMBUWUDD-MRXNPFEDSA-N 2 2 316.493 3.191 20 0 DGADLP C[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180414267 323228525 /nfs/dbraw/zinc/22/85/25/323228525.db2.gz CWHLWKWDKXONGL-HNNXBMFYSA-N 2 2 306.413 3.175 20 0 DGADLP C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180414267 323228528 /nfs/dbraw/zinc/22/85/28/323228528.db2.gz CWHLWKWDKXONGL-HNNXBMFYSA-N 2 2 306.413 3.175 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C[C@H]1OC ZINC000181457249 323254920 /nfs/dbraw/zinc/25/49/20/323254920.db2.gz UPYKAYMUCZVQOH-HZPDHXFCSA-N 2 2 301.434 3.060 20 0 DGADLP CC[N@@H+](Cc1cnoc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181726417 323265725 /nfs/dbraw/zinc/26/57/25/323265725.db2.gz QRBCWLDQZXMVOC-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP CC[N@H+](Cc1cnoc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181726417 323265728 /nfs/dbraw/zinc/26/57/28/323265728.db2.gz QRBCWLDQZXMVOC-UHFFFAOYSA-N 2 2 314.433 3.117 20 0 DGADLP C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1[nH+]ccn1C ZINC000182966265 323317731 /nfs/dbraw/zinc/31/77/31/323317731.db2.gz QNDXZBJGDUQPFH-LSDHHAIUSA-N 2 2 300.450 3.200 20 0 DGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000386594013 323639107 /nfs/dbraw/zinc/63/91/07/323639107.db2.gz SGMLODLRHNCHRK-APWZRJJASA-N 3 2 303.494 3.149 20 0 DGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC([C@@H]4CCC[NH2+]4)CC3)c21 ZINC000579573585 323888124 /nfs/dbraw/zinc/88/81/24/323888124.db2.gz HIAPRVKJKVJVAZ-HNNXBMFYSA-N 2 2 321.428 3.080 20 0 DGADLP c1csc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)co2)c1 ZINC000579941911 323937186 /nfs/dbraw/zinc/93/71/86/323937186.db2.gz MAQPATDDFARKMI-RBSFLKMASA-N 2 2 317.458 3.413 20 0 DGADLP Cc1ccc2cc[nH+]c(NC[C@]3([NH+](C)C)CCSC3)c2c1 ZINC000580558086 324012095 /nfs/dbraw/zinc/01/20/95/324012095.db2.gz RTLBFNJTAGHXLD-QGZVFWFLSA-N 2 2 301.459 3.392 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CC1(O)CCC(C)CC1 ZINC000580709712 324029736 /nfs/dbraw/zinc/02/97/36/324029736.db2.gz MBBCFJYCYYFKOP-UHFFFAOYSA-N 2 2 315.461 3.266 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000580952744 324057645 /nfs/dbraw/zinc/05/76/45/324057645.db2.gz RXOPEMMEZAFZOR-WBVHZDCISA-N 2 2 300.446 3.049 20 0 DGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000580952744 324057647 /nfs/dbraw/zinc/05/76/47/324057647.db2.gz RXOPEMMEZAFZOR-WBVHZDCISA-N 2 2 300.446 3.049 20 0 DGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cn3ccccc3n1)CCC2 ZINC000581380323 324112308 /nfs/dbraw/zinc/11/23/08/324112308.db2.gz PVVMTTMUKGSIOT-LSDHHAIUSA-N 2 2 309.417 3.067 20 0 DGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828878 324158012 /nfs/dbraw/zinc/15/80/12/324158012.db2.gz UVFZNEIZNSKSEB-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000581828878 324158015 /nfs/dbraw/zinc/15/80/15/324158015.db2.gz UVFZNEIZNSKSEB-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000581828878 324158017 /nfs/dbraw/zinc/15/80/17/324158017.db2.gz UVFZNEIZNSKSEB-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000581828878 324158019 /nfs/dbraw/zinc/15/80/19/324158019.db2.gz UVFZNEIZNSKSEB-DNVCBOLYSA-N 2 2 318.436 3.283 20 0 DGADLP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000582453696 324231122 /nfs/dbraw/zinc/23/11/22/324231122.db2.gz WWGMBNUMWVICTI-QZTJIDSGSA-N 2 2 318.461 3.424 20 0 DGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587904 324249286 /nfs/dbraw/zinc/24/92/86/324249286.db2.gz GPCJMDFMTNXWBL-DOMZBBRYSA-N 2 2 310.388 3.110 20 0 DGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc(F)cc(F)c32)C1 ZINC000582587904 324249292 /nfs/dbraw/zinc/24/92/92/324249292.db2.gz GPCJMDFMTNXWBL-DOMZBBRYSA-N 2 2 310.388 3.110 20 0 DGADLP [NH3+][C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@H]1c1cccc(F)c1 ZINC000582593589 324250261 /nfs/dbraw/zinc/25/02/61/324250261.db2.gz IDNJRCLBCQRXCS-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1c1cccc(F)c1 ZINC000582593589 324250266 /nfs/dbraw/zinc/25/02/66/324250266.db2.gz IDNJRCLBCQRXCS-RBUKOAKNSA-N 2 2 321.399 3.301 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000582723724 324267051 /nfs/dbraw/zinc/26/70/51/324267051.db2.gz NUJDTYGGSAHYCK-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000582723724 324267055 /nfs/dbraw/zinc/26/70/55/324267055.db2.gz NUJDTYGGSAHYCK-LJQANCHMSA-N 2 2 311.429 3.182 20 0 DGADLP Cc1cc(C)c(NC(=O)NC2CC[NH+](C3CCC3)CC2)c(C)[nH+]1 ZINC000582768892 324272243 /nfs/dbraw/zinc/27/22/43/324272243.db2.gz FVHHPFFCNBYHIJ-UHFFFAOYSA-N 2 2 316.449 3.145 20 0 DGADLP Cc1[nH]c(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)[nH+]c1C ZINC000583215185 324327913 /nfs/dbraw/zinc/32/79/13/324327913.db2.gz NPXJBPFXGPSHLN-OAHLLOKOSA-N 2 2 300.450 3.246 20 0 DGADLP COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000583641440 324379583 /nfs/dbraw/zinc/37/95/83/324379583.db2.gz PYMPVFOFEVRPQG-DEYYWGMASA-N 2 2 300.402 3.237 20 0 DGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000583884452 324410319 /nfs/dbraw/zinc/41/03/19/324410319.db2.gz PWOCQOLJCMDIMB-KRWDZBQOSA-N 2 2 315.461 3.004 20 0 DGADLP Cc1c(Br)cccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428992496 533711499 /nfs/dbraw/zinc/71/14/99/533711499.db2.gz LZSMWLMACYDJCL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1c(Br)cccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428992496 533711500 /nfs/dbraw/zinc/71/15/00/533711500.db2.gz LZSMWLMACYDJCL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428992496 533711509 /nfs/dbraw/zinc/71/15/09/533711509.db2.gz LZSMWLMACYDJCL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428992496 533711516 /nfs/dbraw/zinc/71/15/16/533711516.db2.gz LZSMWLMACYDJCL-MRXNPFEDSA-N 2 2 323.278 3.285 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1sccc1Br ZINC000037320435 337364590 /nfs/dbraw/zinc/36/45/90/337364590.db2.gz QMFAZNMNCYLULJ-NXEZZACHSA-N 2 2 314.252 3.446 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766008 533844188 /nfs/dbraw/zinc/84/41/88/533844188.db2.gz VVSTUVPIVMOGBZ-VXGBXAGGSA-N 2 2 305.422 3.118 20 0 DGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000442766008 533844198 /nfs/dbraw/zinc/84/41/98/533844198.db2.gz VVSTUVPIVMOGBZ-VXGBXAGGSA-N 2 2 305.422 3.118 20 0 DGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427880247 533885072 /nfs/dbraw/zinc/88/50/72/533885072.db2.gz VKYQZZDADRDNLG-YPMHNXCESA-N 2 2 305.809 3.211 20 0 DGADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000414975535 533932311 /nfs/dbraw/zinc/93/23/11/533932311.db2.gz OSKCSDXZLDSIMF-AWEZNQCLSA-N 2 2 317.260 3.480 20 0 DGADLP C[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)s1)C[NH+]1CCCCC1 ZINC000443980584 534064291 /nfs/dbraw/zinc/06/42/91/534064291.db2.gz NGQWROPSBGLGCQ-NSHDSACASA-N 2 2 321.412 3.374 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429426611 534086684 /nfs/dbraw/zinc/08/66/84/534086684.db2.gz NOEFNGWYLXUQAX-IGCXYCKISA-N 2 2 308.853 3.180 20 0 DGADLP C[C@@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)Oc1ccc(Cl)cc1 ZINC000429426611 534086688 /nfs/dbraw/zinc/08/66/88/534086688.db2.gz NOEFNGWYLXUQAX-IGCXYCKISA-N 2 2 308.853 3.180 20 0 DGADLP Cc1ccc(-c2cnc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o2)cc1 ZINC000430587482 534195136 /nfs/dbraw/zinc/19/51/36/534195136.db2.gz ZQDLBCZOCYDPEZ-INIZCTEOSA-N 2 2 301.434 3.455 20 0 DGADLP Cc1ccc(-c2cnc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)o2)cc1 ZINC000430587482 534195140 /nfs/dbraw/zinc/19/51/40/534195140.db2.gz ZQDLBCZOCYDPEZ-INIZCTEOSA-N 2 2 301.434 3.455 20 0 DGADLP C[C@@H]([N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691124 534284907 /nfs/dbraw/zinc/28/49/07/534284907.db2.gz VIWVKYUOXZIUOO-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]([N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691124 534284909 /nfs/dbraw/zinc/28/49/09/534284909.db2.gz VIWVKYUOXZIUOO-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]([NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691124 534284912 /nfs/dbraw/zinc/28/49/12/534284912.db2.gz VIWVKYUOXZIUOO-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]([NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CC1 ZINC000429691124 534284914 /nfs/dbraw/zinc/28/49/14/534284914.db2.gz VIWVKYUOXZIUOO-MJGOQNOKSA-N 2 2 316.489 3.398 20 0 DGADLP CC[N@H+](C)[C@H](c1nc([C@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396276 520273052 /nfs/dbraw/zinc/27/30/52/520273052.db2.gz NFAXAAUECCKUGM-CABCVRRESA-N 2 2 302.422 3.157 20 0 DGADLP CC[N@@H+](C)[C@H](c1nc([C@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339396276 520273062 /nfs/dbraw/zinc/27/30/62/520273062.db2.gz NFAXAAUECCKUGM-CABCVRRESA-N 2 2 302.422 3.157 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000322950338 534500475 /nfs/dbraw/zinc/50/04/75/534500475.db2.gz SNHWLNNFVYSASN-HBFSDRIKSA-N 2 2 307.441 3.387 20 0 DGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000322950338 534500482 /nfs/dbraw/zinc/50/04/82/534500482.db2.gz SNHWLNNFVYSASN-HBFSDRIKSA-N 2 2 307.441 3.387 20 0 DGADLP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000154356495 520777362 /nfs/dbraw/zinc/77/73/62/520777362.db2.gz ZSIBEVDCVRPNGQ-LSDHHAIUSA-N 2 2 318.383 3.059 20 0 DGADLP c1csc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435434027 534521179 /nfs/dbraw/zinc/52/11/79/534521179.db2.gz VVIKEIPDQZSHQM-AWEZNQCLSA-N 2 2 319.499 3.349 20 0 DGADLP c1csc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435434027 534521191 /nfs/dbraw/zinc/52/11/91/534521191.db2.gz VVIKEIPDQZSHQM-AWEZNQCLSA-N 2 2 319.499 3.349 20 0 DGADLP Clc1cccc(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000427862168 534642694 /nfs/dbraw/zinc/64/26/94/534642694.db2.gz FIXVZIBOFWEZJJ-OGVSOVDVSA-N 2 2 301.821 3.387 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527509 525412913 /nfs/dbraw/zinc/41/29/13/525412913.db2.gz WLADQPCXVDTTRT-NWDGAFQWSA-N 2 2 302.340 3.330 20 0 DGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527509 525412921 /nfs/dbraw/zinc/41/29/21/525412921.db2.gz WLADQPCXVDTTRT-NWDGAFQWSA-N 2 2 302.340 3.330 20 0 DGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)c[nH+]1 ZINC000157351085 526522718 /nfs/dbraw/zinc/52/27/18/526522718.db2.gz HLTCYMFPLSKCCA-LJQANCHMSA-N 3 2 324.472 3.323 20 0 DGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)c[nH+]1 ZINC000157351085 526522725 /nfs/dbraw/zinc/52/27/25/526522725.db2.gz HLTCYMFPLSKCCA-LJQANCHMSA-N 3 2 324.472 3.323 20 0 DGADLP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156380120 526543602 /nfs/dbraw/zinc/54/36/02/526543602.db2.gz XMUQVUXSKNJFFH-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP c1cnc2c(c1)cccc2C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156380120 526543607 /nfs/dbraw/zinc/54/36/07/526543607.db2.gz XMUQVUXSKNJFFH-SFHVURJKSA-N 2 2 305.381 3.283 20 0 DGADLP CC(C)(C[NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166946548 527069743 /nfs/dbraw/zinc/06/97/43/527069743.db2.gz ABVBIRXIOPVZQX-UHFFFAOYSA-N 2 2 319.792 3.451 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1C ZINC000430571956 527170702 /nfs/dbraw/zinc/17/07/02/527170702.db2.gz DWWYBAJREBZHJH-XIKOKIGWSA-N 2 2 302.462 3.374 20 0 DGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1C ZINC000430571956 527170707 /nfs/dbraw/zinc/17/07/07/527170707.db2.gz DWWYBAJREBZHJH-XIKOKIGWSA-N 2 2 302.462 3.374 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000430587912 527261997 /nfs/dbraw/zinc/26/19/97/527261997.db2.gz BJDORMULPBACBS-ZDUSSCGKSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000430587912 527262004 /nfs/dbraw/zinc/26/20/04/527262004.db2.gz BJDORMULPBACBS-ZDUSSCGKSA-N 2 2 320.824 3.254 20 0 DGADLP CC(C)[C@H](O)C(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000305879040 527712356 /nfs/dbraw/zinc/71/23/56/527712356.db2.gz SWYMFIMDAYKMKG-AWEZNQCLSA-N 2 2 324.431 3.036 20 0 DGADLP CC(C)[C@H](O)C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787095 527742159 /nfs/dbraw/zinc/74/21/59/527742159.db2.gz RCTKANNYJJZJQN-MOPGFXCFSA-N 2 2 318.505 3.066 20 0 DGADLP CC(C)[C@H](O)C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787095 527742160 /nfs/dbraw/zinc/74/21/60/527742160.db2.gz RCTKANNYJJZJQN-MOPGFXCFSA-N 2 2 318.505 3.066 20 0 DGADLP CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074658 527753196 /nfs/dbraw/zinc/75/31/96/527753196.db2.gz WUYDYTVVSSHGJL-OAHLLOKOSA-N 2 2 302.422 3.093 20 0 DGADLP CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074658 527753199 /nfs/dbraw/zinc/75/31/99/527753199.db2.gz WUYDYTVVSSHGJL-OAHLLOKOSA-N 2 2 302.422 3.093 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000415047291 527792704 /nfs/dbraw/zinc/79/27/04/527792704.db2.gz VYWCOXYJFYZCRW-IBGZPJMESA-N 2 2 320.440 3.256 20 0 DGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000302560428 527840225 /nfs/dbraw/zinc/84/02/25/527840225.db2.gz UALACQOPRHGZSF-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000302560428 527840230 /nfs/dbraw/zinc/84/02/30/527840230.db2.gz UALACQOPRHGZSF-HNNXBMFYSA-N 2 2 313.445 3.412 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C[C@@H]1c1ccccc1 ZINC000297477624 527877065 /nfs/dbraw/zinc/87/70/65/527877065.db2.gz YZXHHFBEASDHIZ-IPMKNSEASA-N 2 2 316.489 3.005 20 0 DGADLP CC1(C)[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C[C@@H]1c1ccccc1 ZINC000297477624 527877071 /nfs/dbraw/zinc/87/70/71/527877071.db2.gz YZXHHFBEASDHIZ-IPMKNSEASA-N 2 2 316.489 3.005 20 0 DGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccc(OC)cc1 ZINC000177351280 527898521 /nfs/dbraw/zinc/89/85/21/527898521.db2.gz PXGQIAXJBOOOCT-SJORKVTESA-N 2 2 318.461 3.023 20 0 DGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccc(OC)cc1 ZINC000177351280 527898523 /nfs/dbraw/zinc/89/85/23/527898523.db2.gz PXGQIAXJBOOOCT-SJORKVTESA-N 2 2 318.461 3.023 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccc(OC)cc1 ZINC000177351280 527898529 /nfs/dbraw/zinc/89/85/29/527898529.db2.gz PXGQIAXJBOOOCT-SJORKVTESA-N 2 2 318.461 3.023 20 0 DGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccc(OC)cc1 ZINC000177351280 527898534 /nfs/dbraw/zinc/89/85/34/527898534.db2.gz PXGQIAXJBOOOCT-SJORKVTESA-N 2 2 318.461 3.023 20 0 DGADLP CC(C)c1cc(NCC2CC[NH+](C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000444871466 528010464 /nfs/dbraw/zinc/01/04/64/528010464.db2.gz KSQJOGISQAPFIA-UHFFFAOYSA-N 2 2 316.493 3.432 20 0 DGADLP CCO[C@H](C)c1nc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435614519 528010530 /nfs/dbraw/zinc/01/05/30/528010530.db2.gz MPXOADYEXUMJKK-HIFRSBDPSA-N 2 2 311.495 3.205 20 0 DGADLP CCO[C@H](C)c1nc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435614519 528010535 /nfs/dbraw/zinc/01/05/35/528010535.db2.gz MPXOADYEXUMJKK-HIFRSBDPSA-N 2 2 311.495 3.205 20 0 DGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422777817 528130841 /nfs/dbraw/zinc/13/08/41/528130841.db2.gz GFKAWGBOXJBLQH-QRQLOZEOSA-N 2 2 304.478 3.145 20 0 DGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)C(=O)OCC ZINC000429724724 528132535 /nfs/dbraw/zinc/13/25/35/528132535.db2.gz QLUDMCAAIDPSBP-HNNXBMFYSA-N 2 2 315.417 3.036 20 0 DGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)C(=O)OCC ZINC000429724724 528132539 /nfs/dbraw/zinc/13/25/39/528132539.db2.gz QLUDMCAAIDPSBP-HNNXBMFYSA-N 2 2 315.417 3.036 20 0 DGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415033239 528162701 /nfs/dbraw/zinc/16/27/01/528162701.db2.gz BJEWMHZKYCMFHG-VQTJNVASSA-N 2 2 310.441 3.319 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078011 528265827 /nfs/dbraw/zinc/26/58/27/528265827.db2.gz AINZGAIHWWQDII-LSDHHAIUSA-N 2 2 316.493 3.358 20 0 DGADLP CC(C)c1nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000434078011 528265830 /nfs/dbraw/zinc/26/58/30/528265830.db2.gz AINZGAIHWWQDII-LSDHHAIUSA-N 2 2 316.493 3.358 20 0 DGADLP CC[NH2+]CC[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000414820075 528330321 /nfs/dbraw/zinc/33/03/21/528330321.db2.gz AEETZSGNTPSORI-UHFFFAOYSA-N 2 2 300.402 3.187 20 0 DGADLP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444782269 528488380 /nfs/dbraw/zinc/48/83/80/528488380.db2.gz IJLJXLUTXZNDCM-GOSISDBHSA-N 2 2 310.482 3.060 20 0 DGADLP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444782269 528488383 /nfs/dbraw/zinc/48/83/83/528488383.db2.gz IJLJXLUTXZNDCM-GOSISDBHSA-N 2 2 310.482 3.060 20 0 DGADLP CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000444775427 528515196 /nfs/dbraw/zinc/51/51/96/528515196.db2.gz MYRUZYQHSCMEJG-LJQANCHMSA-N 2 2 313.445 3.308 20 0 DGADLP CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000444775427 528515200 /nfs/dbraw/zinc/51/52/00/528515200.db2.gz MYRUZYQHSCMEJG-LJQANCHMSA-N 2 2 313.445 3.308 20 0 DGADLP CC(C)[C@@H](O)C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787097 528635304 /nfs/dbraw/zinc/63/53/04/528635304.db2.gz RCTKANNYJJZJQN-OALUTQOASA-N 2 2 318.505 3.066 20 0 DGADLP CC(C)[C@@H](O)C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000432787097 528635305 /nfs/dbraw/zinc/63/53/05/528635305.db2.gz RCTKANNYJJZJQN-OALUTQOASA-N 2 2 318.505 3.066 20 0 DGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OCC ZINC000414852054 528675981 /nfs/dbraw/zinc/67/59/81/528675981.db2.gz VHMYPZGIMZGYDE-MRXNPFEDSA-N 2 2 306.450 3.106 20 0 DGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423416869 528689737 /nfs/dbraw/zinc/68/97/37/528689737.db2.gz RKRAJDRDOKKWPY-APWZRJJASA-N 2 2 320.477 3.285 20 0 DGADLP CC[N@H+](Cc1csc(-c2ccco2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435381425 528880868 /nfs/dbraw/zinc/88/08/68/528880868.db2.gz TWAZNRQRSKHJGU-AWEZNQCLSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1csc(-c2ccco2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435381425 528880871 /nfs/dbraw/zinc/88/08/71/528880871.db2.gz TWAZNRQRSKHJGU-AWEZNQCLSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@H+](Cc1ncc(-c2cccs2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435629042 528889627 /nfs/dbraw/zinc/88/96/27/528889627.db2.gz SMIRJXHNBAATLB-ZDUSSCGKSA-N 2 2 305.447 3.367 20 0 DGADLP CC[N@@H+](Cc1ncc(-c2cccs2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435629042 528889632 /nfs/dbraw/zinc/88/96/32/528889632.db2.gz SMIRJXHNBAATLB-ZDUSSCGKSA-N 2 2 305.447 3.367 20 0 DGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000420357764 529130427 /nfs/dbraw/zinc/13/04/27/529130427.db2.gz HSLLODPOBNGCLW-OAHLLOKOSA-N 2 2 319.836 3.473 20 0 DGADLP CC[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCOC1 ZINC000442875982 529165434 /nfs/dbraw/zinc/16/54/34/529165434.db2.gz QDMWVLJHXFCKDP-QZTJIDSGSA-N 2 2 308.510 3.437 20 0 DGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)cc(Br)c1 ZINC000423245159 529179152 /nfs/dbraw/zinc/17/91/52/529179152.db2.gz YEYOLOSKOZLWPK-ZIAGYGMSSA-N 2 2 315.230 3.381 20 0 DGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCC1 ZINC000449487506 535146284 /nfs/dbraw/zinc/14/62/84/535146284.db2.gz YSNWGLUHRZBREM-UHFFFAOYSA-N 2 2 301.478 3.462 20 0 DGADLP CC(C)(C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000494936436 535152056 /nfs/dbraw/zinc/15/20/56/535152056.db2.gz BXHHOUAJADAHJJ-MRXNPFEDSA-N 2 2 319.497 3.138 20 0 DGADLP CC[NH+]1CCC(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000495062794 535451623 /nfs/dbraw/zinc/45/16/23/535451623.db2.gz AYQAISFVOUYVAV-KRWDZBQOSA-N 2 2 319.497 3.138 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459419850 535501483 /nfs/dbraw/zinc/50/14/83/535501483.db2.gz XLTRYJBOIPWXLF-SPUZQDLCSA-N 2 2 322.518 3.006 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H]1SC ZINC000459419850 535501487 /nfs/dbraw/zinc/50/14/87/535501487.db2.gz XLTRYJBOIPWXLF-SPUZQDLCSA-N 2 2 322.518 3.006 20 0 DGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000449098194 536354098 /nfs/dbraw/zinc/35/40/98/536354098.db2.gz OUVAWJGQOVTYKG-HNNXBMFYSA-N 2 2 314.433 3.050 20 0 DGADLP COCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000449556604 536806490 /nfs/dbraw/zinc/80/64/90/536806490.db2.gz SKTXKCRNAVTFQY-CQSZACIVSA-N 2 2 313.323 3.296 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000088721728 545811166 /nfs/dbraw/zinc/81/11/66/545811166.db2.gz CHCJZHPYKDTAGG-YJBOKZPZSA-N 2 2 304.503 3.240 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000088721728 545811172 /nfs/dbraw/zinc/81/11/72/545811172.db2.gz CHCJZHPYKDTAGG-YJBOKZPZSA-N 2 2 304.503 3.240 20 0 DGADLP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187703 545825131 /nfs/dbraw/zinc/82/51/31/545825131.db2.gz NYERZWHRWLJVLJ-ZWKOTPCHSA-N 2 2 304.478 3.036 20 0 DGADLP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187703 545825137 /nfs/dbraw/zinc/82/51/37/545825137.db2.gz NYERZWHRWLJVLJ-ZWKOTPCHSA-N 2 2 304.478 3.036 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000119150332 545877535 /nfs/dbraw/zinc/87/75/35/545877535.db2.gz ICLDVROFVHLNTH-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000119150332 545877540 /nfs/dbraw/zinc/87/75/40/545877540.db2.gz ICLDVROFVHLNTH-ZDUSSCGKSA-N 2 2 311.267 3.189 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000134257147 545971577 /nfs/dbraw/zinc/97/15/77/545971577.db2.gz QAGUFGDJDBGKIE-DOMZBBRYSA-N 2 2 311.267 3.064 20 0 DGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000134257147 545971584 /nfs/dbraw/zinc/97/15/84/545971584.db2.gz QAGUFGDJDBGKIE-DOMZBBRYSA-N 2 2 311.267 3.064 20 0 DGADLP CC1(C)CC([NH2+]Cc2ncccc2C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000152632120 546004003 /nfs/dbraw/zinc/00/40/03/546004003.db2.gz NMIWEZUYEMTMOI-UHFFFAOYSA-N 2 2 315.383 3.499 20 0 DGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000155911960 546030562 /nfs/dbraw/zinc/03/05/62/546030562.db2.gz SRLWXOBOXZPJRS-OAHLLOKOSA-N 3 2 314.477 3.055 20 0 DGADLP COc1ccccc1C[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156292694 546033125 /nfs/dbraw/zinc/03/31/25/546033125.db2.gz XDKKSLOPXYYBIF-INIZCTEOSA-N 2 2 323.440 3.415 20 0 DGADLP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157777081 546043459 /nfs/dbraw/zinc/04/34/59/546043459.db2.gz VUZURMLKSOKTKL-FUHWJXTLSA-N 2 2 302.487 3.091 20 0 DGADLP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157777081 546043464 /nfs/dbraw/zinc/04/34/64/546043464.db2.gz VUZURMLKSOKTKL-FUHWJXTLSA-N 2 2 302.487 3.091 20 0 DGADLP CCC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000163640990 546083291 /nfs/dbraw/zinc/08/32/91/546083291.db2.gz CFHPLXPJICNCGV-IBGZPJMESA-N 2 2 320.477 3.237 20 0 DGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2C)c1 ZINC000180157876 546142400 /nfs/dbraw/zinc/14/24/00/546142400.db2.gz DCSKUHDIOPJRGM-AWEZNQCLSA-N 2 2 300.450 3.411 20 0 DGADLP COc1cccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1F ZINC000192662579 546235293 /nfs/dbraw/zinc/23/52/93/546235293.db2.gz FFDSUDRSSKXNNY-UHFFFAOYSA-N 2 2 313.376 3.282 20 0 DGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3cccs3)oc2C)CC[C@H]1[NH3+] ZINC000251832767 546330775 /nfs/dbraw/zinc/33/07/75/546330775.db2.gz QCEYVHQMAYZCCJ-CHWSQXEVSA-N 2 2 305.447 3.271 20 0 DGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)oc2C)CC[C@H]1[NH3+] ZINC000251832767 546330780 /nfs/dbraw/zinc/33/07/80/546330780.db2.gz QCEYVHQMAYZCCJ-CHWSQXEVSA-N 2 2 305.447 3.271 20 0 DGADLP CCc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)nc(C)[nH+]1 ZINC000272851083 546357855 /nfs/dbraw/zinc/35/78/55/546357855.db2.gz KEYUUYSAYAFKTN-UHFFFAOYSA-N 2 2 319.412 3.096 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ncc[nH]1 ZINC000285653993 546398586 /nfs/dbraw/zinc/39/85/86/546398586.db2.gz MKECQYYSVMBUAA-HOTGVXAUSA-N 2 2 312.461 3.492 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ncc[nH]1 ZINC000285653993 546398590 /nfs/dbraw/zinc/39/85/90/546398590.db2.gz MKECQYYSVMBUAA-HOTGVXAUSA-N 2 2 312.461 3.492 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000285653992 546398601 /nfs/dbraw/zinc/39/86/01/546398601.db2.gz MKECQYYSVMBUAA-CVEARBPZSA-N 2 2 312.461 3.492 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000285653992 546398604 /nfs/dbraw/zinc/39/86/04/546398604.db2.gz MKECQYYSVMBUAA-CVEARBPZSA-N 2 2 312.461 3.492 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ncc[nH]1 ZINC000286080347 546400711 /nfs/dbraw/zinc/40/07/11/546400711.db2.gz MIIXMCTZWKSKIA-CCNLRDMRSA-N 2 2 310.445 3.256 20 0 DGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ncc[nH]1 ZINC000286080347 546400719 /nfs/dbraw/zinc/40/07/19/546400719.db2.gz MIIXMCTZWKSKIA-CCNLRDMRSA-N 2 2 310.445 3.256 20 0 DGADLP CC(C)C[C@@H]([NH3+])c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000339384771 546539531 /nfs/dbraw/zinc/53/95/31/546539531.db2.gz KHOMMIGNZJCMNO-KQQSKNTNSA-N 2 2 323.400 3.472 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000379678001 546736355 /nfs/dbraw/zinc/73/63/55/546736355.db2.gz DRRCKKCVOFOPFA-ZWKOTPCHSA-N 2 2 304.478 3.038 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000379678001 546736359 /nfs/dbraw/zinc/73/63/59/546736359.db2.gz DRRCKKCVOFOPFA-ZWKOTPCHSA-N 2 2 304.478 3.038 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389850208 546753358 /nfs/dbraw/zinc/75/33/58/546753358.db2.gz USMPIVCXQNNGOX-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389850208 546753364 /nfs/dbraw/zinc/75/33/64/546753364.db2.gz USMPIVCXQNNGOX-QXCFHYIPSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390621292 546754225 /nfs/dbraw/zinc/75/42/25/546754225.db2.gz ZNYQYJXIXQQBDE-YLJYHZDGSA-N 2 2 316.489 3.446 20 0 DGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390621292 546754229 /nfs/dbraw/zinc/75/42/29/546754229.db2.gz ZNYQYJXIXQQBDE-YLJYHZDGSA-N 2 2 316.489 3.446 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453347912 546859857 /nfs/dbraw/zinc/85/98/57/546859857.db2.gz GBEVHXYLBSZQAZ-SNRMKQJTSA-N 2 2 312.461 3.389 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453347912 546859860 /nfs/dbraw/zinc/85/98/60/546859860.db2.gz GBEVHXYLBSZQAZ-SNRMKQJTSA-N 2 2 312.461 3.389 20 0 DGADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+](C)[C@H](c3ccccc3)C1)C2 ZINC000453379003 546860790 /nfs/dbraw/zinc/86/07/90/546860790.db2.gz ZWZOSNQYJZWRLE-NWJVMNJYSA-N 3 2 313.489 3.037 20 0 DGADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+](C)[C@H](c3ccccc3)C1)C2 ZINC000453379003 546860795 /nfs/dbraw/zinc/86/07/95/546860795.db2.gz ZWZOSNQYJZWRLE-NWJVMNJYSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453379003 546860798 /nfs/dbraw/zinc/86/07/98/546860798.db2.gz ZWZOSNQYJZWRLE-NWJVMNJYSA-N 3 2 313.489 3.037 20 0 DGADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000453379003 546860800 /nfs/dbraw/zinc/86/08/00/546860800.db2.gz ZWZOSNQYJZWRLE-NWJVMNJYSA-N 3 2 313.489 3.037 20 0 DGADLP c1nc(C2CC2)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)s1 ZINC000495077339 546937949 /nfs/dbraw/zinc/93/79/49/546937949.db2.gz DAVZWQMQEFTMPV-UHFFFAOYSA-N 2 2 305.491 3.471 20 0 DGADLP C[C@H]1c2ccsc2CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667488454 547200147 /nfs/dbraw/zinc/20/01/47/547200147.db2.gz FYYZJURSHLKWHJ-ZDUSSCGKSA-N 2 2 310.426 3.448 20 0 DGADLP C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667488454 547200150 /nfs/dbraw/zinc/20/01/50/547200150.db2.gz FYYZJURSHLKWHJ-ZDUSSCGKSA-N 2 2 310.426 3.448 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)n1C ZINC000667508330 547206616 /nfs/dbraw/zinc/20/66/16/547206616.db2.gz ZBTQPYYSXPOGCS-UHFFFAOYSA-N 2 2 319.836 3.425 20 0 DGADLP CC(C)[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccn1 ZINC000667534817 547214068 /nfs/dbraw/zinc/21/40/68/547214068.db2.gz MAYAUXWNYJGFQJ-UHFFFAOYSA-N 2 2 307.401 3.073 20 0 DGADLP CC(C)[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccn1 ZINC000667534817 547214071 /nfs/dbraw/zinc/21/40/71/547214071.db2.gz MAYAUXWNYJGFQJ-UHFFFAOYSA-N 2 2 307.401 3.073 20 0 DGADLP COc1cccc(C[C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667536214 547216089 /nfs/dbraw/zinc/21/60/89/547216089.db2.gz RPDROVXSEUSPIK-MRXNPFEDSA-N 2 2 311.429 3.045 20 0 DGADLP COc1cccc(C[C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667536214 547216094 /nfs/dbraw/zinc/21/60/94/547216094.db2.gz RPDROVXSEUSPIK-MRXNPFEDSA-N 2 2 311.429 3.045 20 0 DGADLP COc1cc(C[N@H+](C)Cc2c[nH+]c(C)n2C)ccc1SC ZINC000667564945 547229281 /nfs/dbraw/zinc/22/92/81/547229281.db2.gz DKSRUVWZPWQETC-UHFFFAOYSA-N 2 2 305.447 3.091 20 0 DGADLP COc1cc(C[N@@H+](C)Cc2c[nH+]c(C)n2C)ccc1SC ZINC000667564945 547229285 /nfs/dbraw/zinc/22/92/85/547229285.db2.gz DKSRUVWZPWQETC-UHFFFAOYSA-N 2 2 305.447 3.091 20 0 DGADLP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667568570 547230362 /nfs/dbraw/zinc/23/03/62/547230362.db2.gz IDLBMRHNLWQTDK-GOSISDBHSA-N 2 2 323.444 3.435 20 0 DGADLP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667568570 547230367 /nfs/dbraw/zinc/23/03/67/547230367.db2.gz IDLBMRHNLWQTDK-GOSISDBHSA-N 2 2 323.444 3.435 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)n1C ZINC000667657244 547261465 /nfs/dbraw/zinc/26/14/65/547261465.db2.gz DPJFDKQODBWSQF-SUMWQHHRSA-N 2 2 301.459 3.407 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)n1C ZINC000667657244 547261470 /nfs/dbraw/zinc/26/14/70/547261470.db2.gz DPJFDKQODBWSQF-SUMWQHHRSA-N 2 2 301.459 3.407 20 0 DGADLP Fc1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cccc1OC1CC1 ZINC000667663821 547264734 /nfs/dbraw/zinc/26/47/34/547264734.db2.gz XNJMRJSVPWGLQJ-OAHLLOKOSA-N 2 2 318.436 3.285 20 0 DGADLP Fc1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cccc1OC1CC1 ZINC000667663821 547264742 /nfs/dbraw/zinc/26/47/42/547264742.db2.gz XNJMRJSVPWGLQJ-OAHLLOKOSA-N 2 2 318.436 3.285 20 0 DGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000667757963 547294217 /nfs/dbraw/zinc/29/42/17/547294217.db2.gz QOLAELSRNJNMLS-SFHVURJKSA-N 2 2 320.396 3.107 20 0 DGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000667757962 547294518 /nfs/dbraw/zinc/29/45/18/547294518.db2.gz QOLAELSRNJNMLS-GOSISDBHSA-N 2 2 320.396 3.107 20 0 DGADLP Cc1[nH+]cc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1C ZINC000667924979 547335824 /nfs/dbraw/zinc/33/58/24/547335824.db2.gz HPWGGLKBQHVLDZ-UHFFFAOYSA-N 2 2 306.413 3.499 20 0 DGADLP Cc1[nH+]cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1C ZINC000667924979 547335828 /nfs/dbraw/zinc/33/58/28/547335828.db2.gz HPWGGLKBQHVLDZ-UHFFFAOYSA-N 2 2 306.413 3.499 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000667943993 547341465 /nfs/dbraw/zinc/34/14/65/547341465.db2.gz CRVMJVMYXHJAAR-SJCJKPOMSA-N 2 2 319.836 3.349 20 0 DGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000668159653 547397828 /nfs/dbraw/zinc/39/78/28/547397828.db2.gz BFZJWFWCHPCKRY-UHFFFAOYSA-N 2 2 318.440 3.167 20 0 DGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCC1 ZINC000668214872 547417464 /nfs/dbraw/zinc/41/74/64/547417464.db2.gz NPGVITSEXKKTNG-RTBURBONSA-N 2 2 314.473 3.198 20 0 DGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCC1 ZINC000668214872 547417467 /nfs/dbraw/zinc/41/74/67/547417467.db2.gz NPGVITSEXKKTNG-RTBURBONSA-N 2 2 314.473 3.198 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538737 547474901 /nfs/dbraw/zinc/47/49/01/547474901.db2.gz BJJOCEGNGGYOFJ-UHFFFAOYSA-N 2 2 310.441 3.356 20 0 DGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538737 547474907 /nfs/dbraw/zinc/47/49/07/547474907.db2.gz BJJOCEGNGGYOFJ-UHFFFAOYSA-N 2 2 310.441 3.356 20 0 DGADLP Cc1[nH+]cc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)n1C ZINC000668758055 547531472 /nfs/dbraw/zinc/53/14/72/547531472.db2.gz KVVRQGFNEPLNMY-UHFFFAOYSA-N 2 2 309.413 3.169 20 0 DGADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1Cl ZINC000668784293 547540044 /nfs/dbraw/zinc/54/00/44/547540044.db2.gz AQQGEJSZOTWZLA-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP Cc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1Cl ZINC000668784293 547540047 /nfs/dbraw/zinc/54/00/47/547540047.db2.gz AQQGEJSZOTWZLA-INIZCTEOSA-N 2 2 310.869 3.191 20 0 DGADLP CC(C)CCn1cccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785056 547541146 /nfs/dbraw/zinc/54/11/46/547541146.db2.gz MEPOWLQOZQWKBI-LJQANCHMSA-N 2 2 321.509 3.077 20 0 DGADLP CC(C)CCn1cccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785056 547541149 /nfs/dbraw/zinc/54/11/49/547541149.db2.gz MEPOWLQOZQWKBI-LJQANCHMSA-N 2 2 321.509 3.077 20 0 DGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)n1-c1ccccc1 ZINC000668786723 547542332 /nfs/dbraw/zinc/54/23/32/547542332.db2.gz GSKZYSYQSDINHX-FOIQADDNSA-N 2 2 321.424 3.392 20 0 DGADLP CCc1oc2ccccc2c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668794000 547543132 /nfs/dbraw/zinc/54/31/32/547543132.db2.gz XJERJQPLHTUUFG-UHFFFAOYSA-N 2 2 324.428 3.051 20 0 DGADLP FC(F)C1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000669686705 547672081 /nfs/dbraw/zinc/67/20/81/547672081.db2.gz XPUNEQREEGGMMG-UHFFFAOYSA-N 2 2 310.388 3.049 20 0 DGADLP CO[C@H](C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931601 547709284 /nfs/dbraw/zinc/70/92/84/547709284.db2.gz KEVKPWYMICGQFI-DLBZAZTESA-N 2 2 310.869 3.490 20 0 DGADLP CO[C@H](C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1)c1ccc(Cl)cc1 ZINC000669931601 547709285 /nfs/dbraw/zinc/70/92/85/547709285.db2.gz KEVKPWYMICGQFI-DLBZAZTESA-N 2 2 310.869 3.490 20 0 DGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985180 547767061 /nfs/dbraw/zinc/76/70/61/547767061.db2.gz CQEKHTUDILCAJZ-RBUKOAKNSA-N 2 2 302.462 3.324 20 0 DGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985180 547767065 /nfs/dbraw/zinc/76/70/65/547767065.db2.gz CQEKHTUDILCAJZ-RBUKOAKNSA-N 2 2 302.462 3.324 20 0 DGADLP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727070 547817363 /nfs/dbraw/zinc/81/73/63/547817363.db2.gz XYZDPQPMFKKOKT-NZSAHSFTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671727070 547817367 /nfs/dbraw/zinc/81/73/67/547817367.db2.gz XYZDPQPMFKKOKT-NZSAHSFTSA-N 2 2 316.489 3.302 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767806 547831024 /nfs/dbraw/zinc/83/10/24/547831024.db2.gz NEVUBVJSXJKTLS-PVAVHDDUSA-N 2 2 304.503 3.381 20 0 DGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671767806 547831028 /nfs/dbraw/zinc/83/10/28/547831028.db2.gz NEVUBVJSXJKTLS-PVAVHDDUSA-N 2 2 304.503 3.381 20 0 DGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000674906558 548136011 /nfs/dbraw/zinc/13/60/11/548136011.db2.gz HDEHJWHTZMFQNR-ZDUSSCGKSA-N 2 2 300.337 3.001 20 0 DGADLP Fc1ccc2oc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000674906558 548136015 /nfs/dbraw/zinc/13/60/15/548136015.db2.gz HDEHJWHTZMFQNR-ZDUSSCGKSA-N 2 2 300.337 3.001 20 0 DGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912531 548136515 /nfs/dbraw/zinc/13/65/15/548136515.db2.gz GLXWPYWLEKSLAE-NOZJJQNGSA-N 2 2 306.759 3.399 20 0 DGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000674912531 548136517 /nfs/dbraw/zinc/13/65/17/548136517.db2.gz GLXWPYWLEKSLAE-NOZJJQNGSA-N 2 2 306.759 3.399 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@@H+]1C ZINC000675741251 548262863 /nfs/dbraw/zinc/26/28/63/548262863.db2.gz GMQQWMSLVAXQRM-RDJZCZTQSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC[N@H+]1C ZINC000675741251 548262867 /nfs/dbraw/zinc/26/28/67/548262867.db2.gz GMQQWMSLVAXQRM-RDJZCZTQSA-N 2 2 311.429 3.446 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767940 548267355 /nfs/dbraw/zinc/26/73/55/548267355.db2.gz UYSCSHUXNXPNDM-GXTWGEPZSA-N 2 2 316.367 3.373 20 0 DGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000675767940 548267356 /nfs/dbraw/zinc/26/73/56/548267356.db2.gz UYSCSHUXNXPNDM-GXTWGEPZSA-N 2 2 316.367 3.373 20 0 DGADLP c1ccc2c(c1)SC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882025 548284759 /nfs/dbraw/zinc/28/47/59/548284759.db2.gz POPLZOKPFIXLGF-NVXWUHKLSA-N 2 2 318.486 3.066 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000675888896 548285742 /nfs/dbraw/zinc/28/57/42/548285742.db2.gz SNQKVPHHTAUDGI-FRQCXROJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000675888896 548285746 /nfs/dbraw/zinc/28/57/46/548285746.db2.gz SNQKVPHHTAUDGI-FRQCXROJSA-N 2 2 301.478 3.460 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000675894349 548287283 /nfs/dbraw/zinc/28/72/83/548287283.db2.gz AIVCNIKWKIPEKZ-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000675894349 548287287 /nfs/dbraw/zinc/28/72/87/548287287.db2.gz AIVCNIKWKIPEKZ-NSISKUIASA-N 2 2 316.489 3.038 20 0 DGADLP COCCC[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917728 548292008 /nfs/dbraw/zinc/29/20/08/548292008.db2.gz CFZKJAFQBIPZKX-DOTOQJQBSA-N 2 2 301.434 3.109 20 0 DGADLP CCCC[C@@H](COC)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923865 548292501 /nfs/dbraw/zinc/29/25/01/548292501.db2.gz UWEMJWVMKYJYPB-ZWKOTPCHSA-N 2 2 315.461 3.499 20 0 DGADLP Brc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478534 548367332 /nfs/dbraw/zinc/36/73/32/548367332.db2.gz UJJWNJWPXYVDNQ-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP Brc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478534 548367336 /nfs/dbraw/zinc/36/73/36/548367336.db2.gz UJJWNJWPXYVDNQ-OAHLLOKOSA-N 2 2 320.234 3.483 20 0 DGADLP COC1CC[NH+](CC[NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000677129186 548455834 /nfs/dbraw/zinc/45/58/34/548455834.db2.gz MRKYODGYALJANX-SQFISAMPSA-N 2 2 322.880 3.444 20 0 DGADLP Cc1cc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)ncn1 ZINC000677424938 548496836 /nfs/dbraw/zinc/49/68/36/548496836.db2.gz DTAFLTQZBVIPAS-UHFFFAOYSA-N 2 2 312.461 3.033 20 0 DGADLP Cc1cc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)ncn1 ZINC000677424938 548496837 /nfs/dbraw/zinc/49/68/37/548496837.db2.gz DTAFLTQZBVIPAS-UHFFFAOYSA-N 2 2 312.461 3.033 20 0 DGADLP CCC[C@@](C)(O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748645 548549761 /nfs/dbraw/zinc/54/97/61/548549761.db2.gz BPQGLHSILQVYOR-IEBWSBKVSA-N 2 2 304.478 3.180 20 0 DGADLP CCC[C@@](C)(O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748645 548549766 /nfs/dbraw/zinc/54/97/66/548549766.db2.gz BPQGLHSILQVYOR-IEBWSBKVSA-N 2 2 304.478 3.180 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCOC1 ZINC000677806792 548559437 /nfs/dbraw/zinc/55/94/37/548559437.db2.gz ODNKXGRHIMHITP-RYQLBKOJSA-N 2 2 302.462 3.054 20 0 DGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCOC1 ZINC000677806792 548559442 /nfs/dbraw/zinc/55/94/42/548559442.db2.gz ODNKXGRHIMHITP-RYQLBKOJSA-N 2 2 302.462 3.054 20 0 DGADLP c1cn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)c[nH+]1 ZINC000678235209 548648407 /nfs/dbraw/zinc/64/84/07/548648407.db2.gz PKDYXGVHLCCWOH-QGZVFWFLSA-N 2 2 307.401 3.110 20 0 DGADLP c1cn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)c[nH+]1 ZINC000678235209 548648413 /nfs/dbraw/zinc/64/84/13/548648413.db2.gz PKDYXGVHLCCWOH-QGZVFWFLSA-N 2 2 307.401 3.110 20 0 DGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235408 548649057 /nfs/dbraw/zinc/64/90/57/548649057.db2.gz JJEWIQKQUKSKCZ-INIZCTEOSA-N 2 2 315.417 3.128 20 0 DGADLP CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678235408 548649059 /nfs/dbraw/zinc/64/90/59/548649059.db2.gz JJEWIQKQUKSKCZ-INIZCTEOSA-N 2 2 315.417 3.128 20 0 DGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccnc1 ZINC000678428651 548702477 /nfs/dbraw/zinc/70/24/77/548702477.db2.gz RDXXIPOIWBHWAA-QAPCUYQASA-N 2 2 306.413 3.450 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000678939863 548797774 /nfs/dbraw/zinc/79/77/74/548797774.db2.gz WJKRLBQDLCWBCE-LRDDRELGSA-N 2 2 323.278 3.330 20 0 DGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000678926063 548793281 /nfs/dbraw/zinc/79/32/81/548793281.db2.gz GMLSRBWFAZQUMF-DLBZAZTESA-N 2 2 315.461 3.369 20 0 DGADLP CC1CCC([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000678929320 548795082 /nfs/dbraw/zinc/79/50/82/548795082.db2.gz FOZLHMRKXFPFCM-LYBXBRPPSA-N 2 2 316.489 3.182 20 0 DGADLP CC1CCC([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678929320 548795085 /nfs/dbraw/zinc/79/50/85/548795085.db2.gz FOZLHMRKXFPFCM-LYBXBRPPSA-N 2 2 316.489 3.182 20 0 DGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000678939863 548797771 /nfs/dbraw/zinc/79/77/71/548797771.db2.gz WJKRLBQDLCWBCE-LRDDRELGSA-N 2 2 323.278 3.330 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678992735 548809302 /nfs/dbraw/zinc/80/93/02/548809302.db2.gz OKRDZQKOLWTIIC-HNNXBMFYSA-N 2 2 319.518 3.330 20 0 DGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678992735 548809308 /nfs/dbraw/zinc/80/93/08/548809308.db2.gz OKRDZQKOLWTIIC-HNNXBMFYSA-N 2 2 319.518 3.330 20 0 DGADLP CC(C)C[C@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679042646 548821408 /nfs/dbraw/zinc/82/14/08/548821408.db2.gz CBGKEEWWMLXIEO-PKOBYXMFSA-N 2 2 304.478 3.038 20 0 DGADLP CC(C)C[C@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679042646 548821412 /nfs/dbraw/zinc/82/14/12/548821412.db2.gz CBGKEEWWMLXIEO-PKOBYXMFSA-N 2 2 304.478 3.038 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000679574262 548919170 /nfs/dbraw/zinc/91/91/70/548919170.db2.gz GJAPUTUVRICCEX-CQSZACIVSA-N 2 2 312.379 3.333 20 0 DGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000679574260 548919229 /nfs/dbraw/zinc/91/92/29/548919229.db2.gz GJAPUTUVRICCEX-AWEZNQCLSA-N 2 2 312.379 3.333 20 0 DGADLP Cc1csc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)n1 ZINC000680416757 549050566 /nfs/dbraw/zinc/05/05/66/549050566.db2.gz BDWKYHMXDDUEAQ-LBPRGKRZSA-N 2 2 300.431 3.460 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCCS2 ZINC000682131772 549293863 /nfs/dbraw/zinc/29/38/63/549293863.db2.gz FXDZUASOMRKRNY-CZUORRHYSA-N 2 2 306.475 3.306 20 0 DGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCCS2 ZINC000682131772 549293867 /nfs/dbraw/zinc/29/38/67/549293867.db2.gz FXDZUASOMRKRNY-CZUORRHYSA-N 2 2 306.475 3.306 20 0 DGADLP c1ccc(OCCCCC[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000682158870 549299007 /nfs/dbraw/zinc/29/90/07/549299007.db2.gz RPMSRVYRRRUJAX-SFHVURJKSA-N 2 2 302.462 3.310 20 0 DGADLP c1ccc(OCCCCC[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000682158870 549299012 /nfs/dbraw/zinc/29/90/12/549299012.db2.gz RPMSRVYRRRUJAX-SFHVURJKSA-N 2 2 302.462 3.310 20 0 DGADLP Oc1cccc2c(NCCc3cn4ccccc4[nH+]3)cc[nH+]c12 ZINC000682238301 549305544 /nfs/dbraw/zinc/30/55/44/549305544.db2.gz UIAYGATYPQMKLT-UHFFFAOYSA-N 2 2 304.353 3.243 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCOC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000682730461 549363169 /nfs/dbraw/zinc/36/31/69/549363169.db2.gz DBSDCWAUTBKJGG-CQSZACIVSA-N 2 2 316.367 3.166 20 0 DGADLP CC1(C)C[C@@H]([NH2+]CCOC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000682730461 549363174 /nfs/dbraw/zinc/36/31/74/549363174.db2.gz DBSDCWAUTBKJGG-CQSZACIVSA-N 2 2 316.367 3.166 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000682765547 549367619 /nfs/dbraw/zinc/36/76/19/549367619.db2.gz DMOGWQILHJORPI-MJGOQNOKSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000682765547 549367624 /nfs/dbraw/zinc/36/76/24/549367624.db2.gz DMOGWQILHJORPI-MJGOQNOKSA-N 2 2 304.478 3.444 20 0 DGADLP Fc1cc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000683007410 549413810 /nfs/dbraw/zinc/41/38/10/549413810.db2.gz WDQQWUFUUVHUIA-ZDUSSCGKSA-N 2 2 323.799 3.392 20 0 DGADLP Fc1cc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Cl ZINC000683007410 549413813 /nfs/dbraw/zinc/41/38/13/549413813.db2.gz WDQQWUFUUVHUIA-ZDUSSCGKSA-N 2 2 323.799 3.392 20 0 DGADLP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000683771726 549533651 /nfs/dbraw/zinc/53/36/51/549533651.db2.gz HZTWKALMZCLSHC-ILZDJORESA-N 2 2 316.489 3.038 20 0 DGADLP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000683771726 549533656 /nfs/dbraw/zinc/53/36/56/549533656.db2.gz HZTWKALMZCLSHC-ILZDJORESA-N 2 2 316.489 3.038 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000684396612 549628881 /nfs/dbraw/zinc/62/88/81/549628881.db2.gz MSBSQEFVVWCCRF-VAMGGRTRSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000684396612 549628885 /nfs/dbraw/zinc/62/88/85/549628885.db2.gz MSBSQEFVVWCCRF-VAMGGRTRSA-N 2 2 316.489 3.444 20 0 DGADLP CO[C@@]1(C(F)(F)F)CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000684405946 549630445 /nfs/dbraw/zinc/63/04/45/549630445.db2.gz NNFLWCCGPIRUEN-HNNXBMFYSA-N 2 2 316.367 3.366 20 0 DGADLP CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000684405946 549630449 /nfs/dbraw/zinc/63/04/49/549630449.db2.gz NNFLWCCGPIRUEN-HNNXBMFYSA-N 2 2 316.367 3.366 20 0 DGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684968064 549728188 /nfs/dbraw/zinc/72/81/88/549728188.db2.gz GJZDPPLVUGRHPC-UHFFFAOYSA-N 2 2 306.413 3.194 20 0 DGADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000685424023 549758030 /nfs/dbraw/zinc/75/80/30/549758030.db2.gz PYXJYBIGLOSYIF-ZCDVPAHGSA-N 2 2 306.400 3.285 20 0 DGADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000685424023 549758034 /nfs/dbraw/zinc/75/80/34/549758034.db2.gz PYXJYBIGLOSYIF-ZCDVPAHGSA-N 2 2 306.400 3.285 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OC ZINC000685452351 549762223 /nfs/dbraw/zinc/76/22/23/549762223.db2.gz RRLQNYJPENWTPL-OAHLLOKOSA-N 2 2 308.466 3.256 20 0 DGADLP CC[C@@H](C)Oc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OC ZINC000685452351 549762225 /nfs/dbraw/zinc/76/22/25/549762225.db2.gz RRLQNYJPENWTPL-OAHLLOKOSA-N 2 2 308.466 3.256 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000685571661 549776066 /nfs/dbraw/zinc/77/60/66/549776066.db2.gz CXUAKSCMJJTMPP-KBXCAEBGSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000685571661 549776067 /nfs/dbraw/zinc/77/60/67/549776067.db2.gz CXUAKSCMJJTMPP-KBXCAEBGSA-N 2 2 313.445 3.292 20 0 DGADLP Cc1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)no1 ZINC000685648453 549785121 /nfs/dbraw/zinc/78/51/21/549785121.db2.gz KZTRMOCPULYFDQ-YOEHRIQHSA-N 2 2 310.401 3.351 20 0 DGADLP c1cn(Cc2ccc(NCC3Cc4ccccc4C3)[nH+]c2)c[nH+]1 ZINC000685848094 549798737 /nfs/dbraw/zinc/79/87/37/549798737.db2.gz HKJBQYRDKHPHLY-UHFFFAOYSA-N 2 2 304.397 3.153 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCCC[N@H+]3C)c2)[nH+]c1C ZINC000732275420 574569796 /nfs/dbraw/zinc/56/97/96/574569796.db2.gz CMSCBWGSUBXJKM-MRXNPFEDSA-N 2 2 312.417 3.116 20 0 DGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3C)c2)[nH+]c1C ZINC000732275420 574569797 /nfs/dbraw/zinc/56/97/97/574569797.db2.gz CMSCBWGSUBXJKM-MRXNPFEDSA-N 2 2 312.417 3.116 20 0 DGADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2occc2Br)c1 ZINC000735321245 574698148 /nfs/dbraw/zinc/69/81/48/574698148.db2.gz ZNOSBRZUDDMVKY-UHFFFAOYSA-N 2 2 323.234 3.394 20 0 DGADLP O=C(CCCC[NH+]1CCCC1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000736074113 574730509 /nfs/dbraw/zinc/73/05/09/574730509.db2.gz KQVXWMOYPAMWGO-UHFFFAOYSA-N 2 2 312.417 3.281 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000741024781 574949417 /nfs/dbraw/zinc/94/94/17/574949417.db2.gz ZPATWBJICCNLKA-GUTXKFCHSA-N 2 2 320.433 3.012 20 0 DGADLP COc1c(C)c[nH+]c(COC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000741024781 574949419 /nfs/dbraw/zinc/94/94/19/574949419.db2.gz ZPATWBJICCNLKA-GUTXKFCHSA-N 2 2 320.433 3.012 20 0 DGADLP C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378804 574994233 /nfs/dbraw/zinc/99/42/33/574994233.db2.gz ZFYFIUYPYZFTQQ-DOTOQJQBSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543732 575255241 /nfs/dbraw/zinc/25/52/41/575255241.db2.gz OSYKUUJXNKBMSJ-HOCLYGCPSA-N 2 2 322.880 3.322 20 0 DGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729543732 575255243 /nfs/dbraw/zinc/25/52/43/575255243.db2.gz OSYKUUJXNKBMSJ-HOCLYGCPSA-N 2 2 322.880 3.322 20 0 DGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccn(C(C)C)c1=S ZINC000746627575 575465314 /nfs/dbraw/zinc/46/53/14/575465314.db2.gz NPWKRANYRAMXPV-UHFFFAOYSA-N 2 2 307.467 3.085 20 0 DGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccn(C(C)C)c1=S ZINC000746627575 575465318 /nfs/dbraw/zinc/46/53/18/575465318.db2.gz NPWKRANYRAMXPV-UHFFFAOYSA-N 2 2 307.467 3.085 20 0 DGADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515526 575663123 /nfs/dbraw/zinc/66/31/23/575663123.db2.gz TUSDSFRETDPWME-GOEBONIOSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000749515526 575663127 /nfs/dbraw/zinc/66/31/27/575663127.db2.gz TUSDSFRETDPWME-GOEBONIOSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000749515526 575663129 /nfs/dbraw/zinc/66/31/29/575663129.db2.gz TUSDSFRETDPWME-GOEBONIOSA-N 2 2 303.450 3.247 20 0 DGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000749515526 575663133 /nfs/dbraw/zinc/66/31/33/575663133.db2.gz TUSDSFRETDPWME-GOEBONIOSA-N 2 2 303.450 3.247 20 0 DGADLP Fc1cccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000750042097 575699863 /nfs/dbraw/zinc/69/98/63/575699863.db2.gz HMEOSVIQUOYVHG-KRWDZBQOSA-N 2 2 322.387 3.396 20 0 DGADLP C[N@H+](CCc1ccccc1F)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750044372 575700193 /nfs/dbraw/zinc/70/01/93/575700193.db2.gz GMSRSOHVWQZRSS-UHFFFAOYSA-N 2 2 310.376 3.081 20 0 DGADLP C[N@@H+](CCc1ccccc1F)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750044372 575700198 /nfs/dbraw/zinc/70/01/98/575700198.db2.gz GMSRSOHVWQZRSS-UHFFFAOYSA-N 2 2 310.376 3.081 20 0 DGADLP Cc1nc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(C)s1 ZINC000750825087 575754054 /nfs/dbraw/zinc/75/40/54/575754054.db2.gz IPSZOLZLODNTTN-LLVKDONJSA-N 2 2 313.430 3.191 20 0 DGADLP Cc1cc(N(CCc2ccccc2)CC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000751233362 575776797 /nfs/dbraw/zinc/77/67/97/575776797.db2.gz QRXKGRXJMQDLDT-UHFFFAOYSA-N 2 2 324.472 3.273 20 0 DGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2C2CCCC2)CC1 ZINC000891560536 617835988 /nfs/dbraw/zinc/83/59/88/617835988.db2.gz CFYOHMRGILIISQ-UHFFFAOYSA-N 2 2 318.509 3.382 20 0 DGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2C2CCCC2)CC1 ZINC000891560536 617835993 /nfs/dbraw/zinc/83/59/93/617835993.db2.gz CFYOHMRGILIISQ-UHFFFAOYSA-N 2 2 318.509 3.382 20 0 DGADLP C[C@@H](CC[NH2+][C@@H](C)c1cn2c(n1)CCCC2)[NH+]1CCCCC1 ZINC000926143614 617785949 /nfs/dbraw/zinc/78/59/49/617785949.db2.gz NQQMIXKRRYXVJP-HOTGVXAUSA-N 2 2 304.482 3.135 20 0 DGADLP C[C@H](CC[NH2+][C@@H](C)c1cn2c(n1)CCCC2)[NH+]1CCCCC1 ZINC000926143613 617786010 /nfs/dbraw/zinc/78/60/10/617786010.db2.gz NQQMIXKRRYXVJP-CVEARBPZSA-N 2 2 304.482 3.135 20 0 DGADLP c1csc([C@@H](CNc2nccn3c[nH+]cc23)[NH+]2CCCC2)c1 ZINC000891503835 617817166 /nfs/dbraw/zinc/81/71/66/617817166.db2.gz LWMQOZOEQGACQN-CYBMUJFWSA-N 2 2 313.430 3.040 20 0 DGADLP CC(C)(C)c1coc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000891611689 617852876 /nfs/dbraw/zinc/85/28/76/617852876.db2.gz UNHKFYLBWKVFLW-UHFFFAOYSA-N 2 2 305.466 3.280 20 0 DGADLP Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C2CCCC2)n1 ZINC000891844632 617910626 /nfs/dbraw/zinc/91/06/26/617910626.db2.gz JDNHKMOLMXLPQI-UHFFFAOYSA-N 2 2 313.449 3.180 20 0 DGADLP CCc1nnc(C[NH2+]Cc2ccccc2C[NH+](CC)CC)s1 ZINC000892466233 618072913 /nfs/dbraw/zinc/07/29/13/618072913.db2.gz LZRUMOXAKFDTGW-UHFFFAOYSA-N 2 2 318.490 3.232 20 0 DGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926719256 618095197 /nfs/dbraw/zinc/09/51/97/618095197.db2.gz RNUXQSJCDQAGGC-MHORFTMASA-N 2 2 306.494 3.044 20 0 DGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000892565248 618109593 /nfs/dbraw/zinc/10/95/93/618109593.db2.gz FOGAENUMMMBAKX-GFCCVEGCSA-N 2 2 313.323 3.003 20 0 DGADLP CC1CC[NH+](CCC[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924580050 618121139 /nfs/dbraw/zinc/12/11/39/618121139.db2.gz SNSAQSISTDOKBO-INIZCTEOSA-N 2 2 307.869 3.434 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892650696 618126547 /nfs/dbraw/zinc/12/65/47/618126547.db2.gz PMOYZWIKPKSDOR-MBNYWOFBSA-N 2 2 314.271 3.061 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926790293 618130666 /nfs/dbraw/zinc/13/06/66/618130666.db2.gz HONGECSIYRKPNW-RTBURBONSA-N 3 2 307.526 3.103 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926790293 618130669 /nfs/dbraw/zinc/13/06/69/618130669.db2.gz HONGECSIYRKPNW-RTBURBONSA-N 3 2 307.526 3.103 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926790291 618130793 /nfs/dbraw/zinc/13/07/93/618130793.db2.gz HONGECSIYRKPNW-OALUTQOASA-N 3 2 307.526 3.103 20 0 DGADLP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926790291 618130796 /nfs/dbraw/zinc/13/07/96/618130796.db2.gz HONGECSIYRKPNW-OALUTQOASA-N 3 2 307.526 3.103 20 0 DGADLP Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)nc(C2CCC2)[nH+]1 ZINC000892763947 618304498 /nfs/dbraw/zinc/30/44/98/618304498.db2.gz RFMOXDRULIUNJL-INIZCTEOSA-N 2 2 314.477 3.221 20 0 DGADLP Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc(C2CCC2)[nH+]1 ZINC000892763947 618304506 /nfs/dbraw/zinc/30/45/06/618304506.db2.gz RFMOXDRULIUNJL-INIZCTEOSA-N 2 2 314.477 3.221 20 0 DGADLP CC(C)c1nnc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000892871363 618335661 /nfs/dbraw/zinc/33/56/61/618335661.db2.gz LXMRYLAWLCZREM-UHFFFAOYSA-N 2 2 305.451 3.038 20 0 DGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000892971480 618374927 /nfs/dbraw/zinc/37/49/27/618374927.db2.gz RSSOXTWOHPYDOI-KRWDZBQOSA-N 2 2 316.489 3.195 20 0 DGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C)C2(Cl)CC2)CC1 ZINC000925591546 618502612 /nfs/dbraw/zinc/50/26/12/618502612.db2.gz QWSPBNXLEZWZNI-ZIAGYGMSSA-N 2 2 307.869 3.357 20 0 DGADLP CCc1ncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895110608 618538973 /nfs/dbraw/zinc/53/89/73/618538973.db2.gz QRKLEAGUMZGSQC-HDJSIYSDSA-N 2 2 316.474 3.377 20 0 DGADLP Cc1ccc(CCCN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000895110705 618539438 /nfs/dbraw/zinc/53/94/38/618539438.db2.gz UUMOVIKBWRQCGE-WGSAOQKQSA-N 2 2 324.472 3.494 20 0 DGADLP CO[C@H](CC(C)C)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111194 618539895 /nfs/dbraw/zinc/53/98/95/618539895.db2.gz BJSWFQPUKRCWHC-BRWVUGGUSA-N 2 2 305.466 3.219 20 0 DGADLP [NH3+][C@H]1CC[C@H](N(Cc2nc(Cl)cs2)c2cccc[nH+]2)CC1 ZINC000895111558 618539972 /nfs/dbraw/zinc/53/99/72/618539972.db2.gz HLIABCCDQYJKHX-HAQNSBGRSA-N 2 2 322.865 3.468 20 0 DGADLP CC(C)n1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000895111471 618540044 /nfs/dbraw/zinc/54/00/44/618540044.db2.gz PIRHNWNYBGDZSI-QAQDUYKDSA-N 2 2 313.449 3.136 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895301699 618591879 /nfs/dbraw/zinc/59/18/79/618591879.db2.gz KGJZOJBCRZRQBX-WDSOQIARSA-N 2 2 313.445 3.109 20 0 DGADLP CC1=NO[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000895301699 618591883 /nfs/dbraw/zinc/59/18/83/618591883.db2.gz KGJZOJBCRZRQBX-WDSOQIARSA-N 2 2 313.445 3.109 20 0 DGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(F)c1 ZINC000925792095 618620804 /nfs/dbraw/zinc/62/08/04/618620804.db2.gz OVGYKDQSCIKJHB-SJORKVTESA-N 2 2 306.425 3.025 20 0 DGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925792374 618620867 /nfs/dbraw/zinc/62/08/67/618620867.db2.gz GLSVBIDQTSQZTC-CZUORRHYSA-N 2 2 308.853 3.149 20 0 DGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c(C)c1 ZINC000925793733 618621233 /nfs/dbraw/zinc/62/12/33/618621233.db2.gz IUTKGRFVFUHBHM-SJORKVTESA-N 2 2 302.462 3.113 20 0 DGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000925797051 618621710 /nfs/dbraw/zinc/62/17/10/618621710.db2.gz TUEMVKAUBIFLSE-FUHWJXTLSA-N 2 2 302.462 3.113 20 0 DGADLP COCC1([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000925923886 618669002 /nfs/dbraw/zinc/66/90/02/618669002.db2.gz KBOLIBKNTQYDDQ-WMZOPIPTSA-N 2 2 300.446 3.123 20 0 DGADLP COCC1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000925923886 618669003 /nfs/dbraw/zinc/66/90/03/618669003.db2.gz KBOLIBKNTQYDDQ-WMZOPIPTSA-N 2 2 300.446 3.123 20 0 DGADLP Cc1ccnc(N)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000893998612 618691701 /nfs/dbraw/zinc/69/17/01/618691701.db2.gz KVEUNYWWWDCPEQ-KRWDZBQOSA-N 2 2 316.493 3.060 20 0 DGADLP Cc1ccnc(N)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000893998612 618691702 /nfs/dbraw/zinc/69/17/02/618691702.db2.gz KVEUNYWWWDCPEQ-KRWDZBQOSA-N 2 2 316.493 3.060 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000895694605 618818152 /nfs/dbraw/zinc/81/81/52/618818152.db2.gz WNDLTDJNQBDWTQ-DOTOQJQBSA-N 2 2 314.429 3.146 20 0 DGADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000895694605 618818153 /nfs/dbraw/zinc/81/81/53/618818153.db2.gz WNDLTDJNQBDWTQ-DOTOQJQBSA-N 2 2 314.429 3.146 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000895735659 618826474 /nfs/dbraw/zinc/82/64/74/618826474.db2.gz GKKAXOLZWIEZTP-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000896024977 618862239 /nfs/dbraw/zinc/86/22/39/618862239.db2.gz CLBCDSJPOHCWQR-UHFFFAOYSA-N 2 2 300.446 3.072 20 0 DGADLP CC1([NH+]2CCC2)CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000896253461 618892391 /nfs/dbraw/zinc/89/23/91/618892391.db2.gz AYKGVHVSIKVXJV-UHFFFAOYSA-N 2 2 311.433 3.031 20 0 DGADLP Clc1ccnc2c1CCC[C@H]2[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925167966 619064015 /nfs/dbraw/zinc/06/40/15/619064015.db2.gz FLEHOQFMFIKXTE-IUODEOHRSA-N 2 2 316.836 3.476 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000925169559 619064929 /nfs/dbraw/zinc/06/49/29/619064929.db2.gz YBUFENYIEOTHMP-YQQQUEKLSA-N 3 2 307.526 3.102 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000925169559 619064931 /nfs/dbraw/zinc/06/49/31/619064931.db2.gz YBUFENYIEOTHMP-YQQQUEKLSA-N 3 2 307.526 3.102 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000898033782 619208493 /nfs/dbraw/zinc/20/84/93/619208493.db2.gz CAKBFIDYHMKPPG-WMZOPIPTSA-N 2 2 301.478 3.429 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000898033782 619208496 /nfs/dbraw/zinc/20/84/96/619208496.db2.gz CAKBFIDYHMKPPG-WMZOPIPTSA-N 2 2 301.478 3.429 20 0 DGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000898033781 619208597 /nfs/dbraw/zinc/20/85/97/619208597.db2.gz CAKBFIDYHMKPPG-SJLPKXTDSA-N 2 2 301.478 3.429 20 0 DGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000898033781 619208599 /nfs/dbraw/zinc/20/85/99/619208599.db2.gz CAKBFIDYHMKPPG-SJLPKXTDSA-N 2 2 301.478 3.429 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034952 619208619 /nfs/dbraw/zinc/20/86/19/619208619.db2.gz DLPJLSGRJBRVEJ-MRXNPFEDSA-N 2 2 317.477 3.034 20 0 DGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034952 619208621 /nfs/dbraw/zinc/20/86/21/619208621.db2.gz DLPJLSGRJBRVEJ-MRXNPFEDSA-N 2 2 317.477 3.034 20 0 DGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000898178545 619223391 /nfs/dbraw/zinc/22/33/91/619223391.db2.gz CDCAAKPIMOEIBQ-OAHLLOKOSA-N 2 2 304.482 3.207 20 0 DGADLP COc1ccc(-c2c[nH+]c(NCc3[nH]c(C)c(C)[nH+]3)n2C)cc1 ZINC000902101280 619586685 /nfs/dbraw/zinc/58/66/85/619586685.db2.gz ZEODCSNZMVHKAJ-UHFFFAOYSA-N 2 2 311.389 3.048 20 0 DGADLP [NH3+]CCCC[C@@H]([NH2+]Cc1nccs1)c1ccc(F)cc1F ZINC000902322005 619617902 /nfs/dbraw/zinc/61/79/02/619617902.db2.gz YATWGOHZLYXMSV-CQSZACIVSA-N 2 2 311.401 3.381 20 0 DGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c(F)cccc2OC(F)F)C1 ZINC000902347150 619619804 /nfs/dbraw/zinc/61/98/04/619619804.db2.gz LNAWFUUBHLVNSB-LLVKDONJSA-N 2 2 316.367 3.295 20 0 DGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000902436139 619635677 /nfs/dbraw/zinc/63/56/77/619635677.db2.gz XKKQDSRMBRWUEJ-XFHUWUJUSA-N 2 2 307.441 3.322 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443125 619637243 /nfs/dbraw/zinc/63/72/43/619637243.db2.gz CUONEZWZTXAESO-YOEHRIQHSA-N 2 2 317.477 3.115 20 0 DGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473099 619637984 /nfs/dbraw/zinc/63/79/84/619637984.db2.gz QTQIRUNVGIEETO-IHETXDGRSA-N 2 2 315.461 3.010 20 0 DGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H](C)c1nc2ccccc2s1 ZINC000902475325 619638257 /nfs/dbraw/zinc/63/82/57/619638257.db2.gz IJCANDOGRKUPEC-DKBOKBLXSA-N 2 2 301.459 3.271 20 0 DGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902478493 619638988 /nfs/dbraw/zinc/63/89/88/619638988.db2.gz XNMAEJBOHHDBEA-WDZICOIVSA-N 2 2 321.262 3.480 20 0 DGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2cccc(Br)c21 ZINC000902469561 619642352 /nfs/dbraw/zinc/64/23/52/619642352.db2.gz XNMAEJBOHHDBEA-AVFNUOGKSA-N 2 2 321.262 3.480 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902482783 619645653 /nfs/dbraw/zinc/64/56/53/619645653.db2.gz NNLPCFFDCTUBEO-ZFWWWQNUSA-N 2 2 315.461 3.099 20 0 DGADLP C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902747473 619669456 /nfs/dbraw/zinc/66/94/56/619669456.db2.gz VAXDQEGZFTYWQK-OAHLLOKOSA-N 2 2 321.428 3.184 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902808281 619676191 /nfs/dbraw/zinc/67/61/91/619676191.db2.gz HOYMUKNEALGUKV-RHSMWYFYSA-N 2 2 301.434 3.320 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000902962176 619698121 /nfs/dbraw/zinc/69/81/21/619698121.db2.gz DMDXBYYFJPZQMH-JOQOYGCGSA-N 2 2 311.429 3.120 20 0 DGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000902992477 619700363 /nfs/dbraw/zinc/70/03/63/619700363.db2.gz KVYZULXQPDPIRM-WPKBUWHJSA-N 2 2 311.429 3.189 20 0 DGADLP CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903038547 619705519 /nfs/dbraw/zinc/70/55/19/619705519.db2.gz YFYHMRPTCBPRGN-YQQAZPJKSA-N 2 2 301.434 3.320 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCOCC1 ZINC000903070867 619714890 /nfs/dbraw/zinc/71/48/90/619714890.db2.gz YKHMKNOZGHPFFI-RBUKOAKNSA-N 2 2 308.510 3.434 20 0 DGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCOCC1 ZINC000903070867 619714892 /nfs/dbraw/zinc/71/48/92/619714892.db2.gz YKHMKNOZGHPFFI-RBUKOAKNSA-N 2 2 308.510 3.434 20 0 DGADLP c1cn(C[C@H]([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903093643 619719227 /nfs/dbraw/zinc/71/92/27/619719227.db2.gz KMZWARFSFFUWKR-GFLQDLJJSA-N 2 2 323.440 3.028 20 0 DGADLP C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903259804 619746688 /nfs/dbraw/zinc/74/66/88/619746688.db2.gz QBJCHXAMWWMELN-HNNXBMFYSA-N 2 2 311.429 3.218 20 0 DGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903259843 619746867 /nfs/dbraw/zinc/74/68/67/619746867.db2.gz QWBWUWYQSBKBCI-AYBZRNKSSA-N 2 2 313.445 3.464 20 0 DGADLP c1ccc(C[NH+]2CCC(Nc3cccc(C4CC4)[nH+]3)CC2)nc1 ZINC000903270453 619750042 /nfs/dbraw/zinc/75/00/42/619750042.db2.gz XVUOIXPZJIFHEM-UHFFFAOYSA-N 2 2 308.429 3.431 20 0 DGADLP CO[C@]1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCSC1 ZINC000903316422 619758837 /nfs/dbraw/zinc/75/88/37/619758837.db2.gz OTMFWGAHDNUMGR-YOEHRIQHSA-N 2 2 317.458 3.045 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379824 619768635 /nfs/dbraw/zinc/76/86/35/619768635.db2.gz ZDDMGEZSHPKOOV-APWZRJJASA-N 2 2 312.461 3.080 20 0 DGADLP COC1(C[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CCC1 ZINC000903380546 619768808 /nfs/dbraw/zinc/76/88/08/619768808.db2.gz NMINVGGOKUGFDN-WBVHZDCISA-N 2 2 305.466 3.012 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379826 619768818 /nfs/dbraw/zinc/76/88/18/619768818.db2.gz ZDDMGEZSHPKOOV-QFBILLFUSA-N 2 2 312.461 3.080 20 0 DGADLP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@H+]3C[C@@H]3CCCC[NH2+]C3)O2)cc1 ZINC000903767580 619809971 /nfs/dbraw/zinc/80/99/71/619809971.db2.gz IGGTZHUVQJPKIX-GTAWCEEGSA-N 2 2 314.473 3.371 20 0 DGADLP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3C[C@@H]3CCCC[NH2+]C3)O2)cc1 ZINC000903767580 619809975 /nfs/dbraw/zinc/80/99/75/619809975.db2.gz IGGTZHUVQJPKIX-GTAWCEEGSA-N 2 2 314.473 3.371 20 0 DGADLP COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1Cl ZINC000903820185 619818842 /nfs/dbraw/zinc/81/88/42/619818842.db2.gz WLXIJXQPWVNTGJ-NVXWUHKLSA-N 2 2 302.805 3.063 20 0 DGADLP CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1OC(F)F ZINC000903923313 619834786 /nfs/dbraw/zinc/83/47/86/619834786.db2.gz QGZRLFNWSXLBBC-KOLCDFICSA-N 2 2 308.319 3.311 20 0 DGADLP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000915689242 620594207 /nfs/dbraw/zinc/59/42/07/620594207.db2.gz LDHDDIWVOSSOJS-QGZVFWFLSA-N 2 2 310.869 3.007 20 0 DGADLP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000915689242 620594209 /nfs/dbraw/zinc/59/42/09/620594209.db2.gz LDHDDIWVOSSOJS-QGZVFWFLSA-N 2 2 310.869 3.007 20 0 DGADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(C2CCC2)n1 ZINC000921472210 620859225 /nfs/dbraw/zinc/85/92/25/620859225.db2.gz ZCMBTXRSSHQPHV-UHFFFAOYSA-N 2 2 324.472 3.362 20 0 DGADLP c1nn(C2CCC2)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000921471745 620859291 /nfs/dbraw/zinc/85/92/91/620859291.db2.gz NOBZVXJGZPUMPP-UHFFFAOYSA-N 2 2 324.472 3.362 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C1CCC1 ZINC000921579734 620910344 /nfs/dbraw/zinc/91/03/44/620910344.db2.gz TUVNRMNJQTYENI-INIZCTEOSA-N 2 2 301.438 3.009 20 0 DGADLP CCC[C@H](C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1)[NH+](C)C ZINC000921660876 620929152 /nfs/dbraw/zinc/92/91/52/620929152.db2.gz UXNBWIDQMHNBJW-MRXNPFEDSA-N 2 2 314.433 3.362 20 0 DGADLP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(C2CCCC2)n1 ZINC000922080483 620986783 /nfs/dbraw/zinc/98/67/83/620986783.db2.gz DDCNYEJHKHBIHA-UHFFFAOYSA-N 2 2 316.493 3.184 20 0 DGADLP c1cn(-c2ccc(C[NH2+]CCc3nc4c(s3)CCC4)cc2)c[nH+]1 ZINC000922717167 621088760 /nfs/dbraw/zinc/08/87/60/621088760.db2.gz FZOQQPJBCMBNHG-UHFFFAOYSA-N 2 2 324.453 3.150 20 0 DGADLP c1cn(-c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2)c[nH+]1 ZINC000922892749 621120209 /nfs/dbraw/zinc/12/02/09/621120209.db2.gz QRSHXQLRMONXFE-MJGOQNOKSA-N 2 2 311.429 3.167 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000857851086 621122613 /nfs/dbraw/zinc/12/26/13/621122613.db2.gz GRVPABKUCSJNOR-PKOBYXMFSA-N 2 2 324.472 3.289 20 0 DGADLP c1n[nH]c2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000857851086 621122615 /nfs/dbraw/zinc/12/26/15/621122615.db2.gz GRVPABKUCSJNOR-PKOBYXMFSA-N 2 2 324.472 3.289 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922955206 621137721 /nfs/dbraw/zinc/13/77/21/621137721.db2.gz YMBHELRPEZYSON-KBXCAEBGSA-N 2 2 322.880 3.114 20 0 DGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922955206 621137724 /nfs/dbraw/zinc/13/77/24/621137724.db2.gz YMBHELRPEZYSON-KBXCAEBGSA-N 2 2 322.880 3.114 20 0 DGADLP Cc1c(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000923517088 621191068 /nfs/dbraw/zinc/19/10/68/621191068.db2.gz HDEXYLSCRMIIBV-UONOGXRCSA-N 2 2 315.848 3.238 20 0 DGADLP Cc1c(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000923517088 621191072 /nfs/dbraw/zinc/19/10/72/621191072.db2.gz HDEXYLSCRMIIBV-UONOGXRCSA-N 2 2 315.848 3.238 20 0 DGADLP Clc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)co2)cc1 ZINC000923519943 621191521 /nfs/dbraw/zinc/19/15/21/621191521.db2.gz OTQLPTPAELHQLY-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Clc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)co2)cc1 ZINC000923519943 621191523 /nfs/dbraw/zinc/19/15/23/621191523.db2.gz OTQLPTPAELHQLY-UONOGXRCSA-N 2 2 317.820 3.036 20 0 DGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000838783192 621280094 /nfs/dbraw/zinc/28/00/94/621280094.db2.gz UXXXFZHZXBLYHM-INIZCTEOSA-N 2 2 319.836 3.159 20 0 DGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000838783192 621280096 /nfs/dbraw/zinc/28/00/96/621280096.db2.gz UXXXFZHZXBLYHM-INIZCTEOSA-N 2 2 319.836 3.159 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000754670833 621523532 /nfs/dbraw/zinc/52/35/32/621523532.db2.gz OVTMSLIOUZGXFK-DOTOQJQBSA-N 2 2 318.486 3.200 20 0 DGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000754670833 621523537 /nfs/dbraw/zinc/52/35/37/621523537.db2.gz OVTMSLIOUZGXFK-DOTOQJQBSA-N 2 2 318.486 3.200 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000863569661 621684069 /nfs/dbraw/zinc/68/40/69/621684069.db2.gz XQOOBCIPQXDDHZ-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000863569661 621684070 /nfs/dbraw/zinc/68/40/70/621684070.db2.gz XQOOBCIPQXDDHZ-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000863654572 621694204 /nfs/dbraw/zinc/69/42/04/621694204.db2.gz ZITRHKIXFQVGPN-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000863654572 621694206 /nfs/dbraw/zinc/69/42/06/621694206.db2.gz ZITRHKIXFQVGPN-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000120085576 621778814 /nfs/dbraw/zinc/77/88/14/621778814.db2.gz IRJJBJHQSDLXNG-SNPRPXQTSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)CC[N@H+]1C ZINC000120085576 621778817 /nfs/dbraw/zinc/77/88/17/621778817.db2.gz IRJJBJHQSDLXNG-SNPRPXQTSA-N 2 2 304.459 3.007 20 0 DGADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848272 621896686 /nfs/dbraw/zinc/89/66/86/621896686.db2.gz AKVYEHIGHCEQTN-IUODEOHRSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)c(F)c1 ZINC000759848272 621896689 /nfs/dbraw/zinc/89/66/89/621896689.db2.gz AKVYEHIGHCEQTN-IUODEOHRSA-N 2 2 323.799 3.115 20 0 DGADLP O[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)c(F)c1 ZINC000759855096 621897330 /nfs/dbraw/zinc/89/73/30/621897330.db2.gz SMBNKUINVYTJRP-MRXNPFEDSA-N 2 2 323.799 3.046 20 0 DGADLP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1F)Cn1cc[nH+]c1 ZINC000865433812 621920012 /nfs/dbraw/zinc/92/00/12/621920012.db2.gz KFYROECQLXBDQM-NSHDSACASA-N 2 2 313.323 3.050 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000865448035 621923665 /nfs/dbraw/zinc/92/36/65/621923665.db2.gz YFKDVKCNOQYMHX-IRXDYDNUSA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)cc1 ZINC000865448035 621923668 /nfs/dbraw/zinc/92/36/68/621923668.db2.gz YFKDVKCNOQYMHX-IRXDYDNUSA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)[nH+]cn2)cc1 ZINC000865448035 621923671 /nfs/dbraw/zinc/92/36/71/621923671.db2.gz YFKDVKCNOQYMHX-IRXDYDNUSA-N 2 2 323.444 3.127 20 0 DGADLP c1ccc(CNc2cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)[nH+]cn2)cc1 ZINC000865448035 621923674 /nfs/dbraw/zinc/92/36/74/621923674.db2.gz YFKDVKCNOQYMHX-IRXDYDNUSA-N 2 2 323.444 3.127 20 0 DGADLP CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000865807216 621998806 /nfs/dbraw/zinc/99/88/06/621998806.db2.gz PJSIZKLTVFPBTJ-HXUWFJFHSA-N 2 2 318.424 3.149 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866230095 622070968 /nfs/dbraw/zinc/07/09/68/622070968.db2.gz XBEVVJMVDSZJDH-QWRGUYRKSA-N 2 2 304.781 3.417 20 0 DGADLP C[C@H](CCc1cccnc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866238490 622073336 /nfs/dbraw/zinc/07/33/36/622073336.db2.gz PCAKBYGOJYPVFD-NVXWUHKLSA-N 2 2 300.450 3.304 20 0 DGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000866240095 622073900 /nfs/dbraw/zinc/07/39/00/622073900.db2.gz XNMIJFSFKJUHDU-QRWLVFNGSA-N 2 2 311.473 3.486 20 0 DGADLP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000866243619 622074356 /nfs/dbraw/zinc/07/43/56/622074356.db2.gz RYCQPKUDMHUERR-INIZCTEOSA-N 2 2 306.413 3.378 20 0 DGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450085 622121072 /nfs/dbraw/zinc/12/10/72/622121072.db2.gz NSQUAQFSCPBLAQ-LAVFITLUSA-N 2 2 305.441 3.162 20 0 DGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450085 622121073 /nfs/dbraw/zinc/12/10/73/622121073.db2.gz NSQUAQFSCPBLAQ-LAVFITLUSA-N 2 2 305.441 3.162 20 0 DGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000764889956 622230208 /nfs/dbraw/zinc/23/02/08/622230208.db2.gz QXOZWJSAKJIIST-LSDHHAIUSA-N 2 2 309.417 3.117 20 0 DGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)C1 ZINC000765453038 622265917 /nfs/dbraw/zinc/26/59/17/622265917.db2.gz JJPAWMAIYACFNR-PXNSSMCTSA-N 3 2 321.553 3.351 20 0 DGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)C1 ZINC000765453038 622265919 /nfs/dbraw/zinc/26/59/19/622265919.db2.gz JJPAWMAIYACFNR-PXNSSMCTSA-N 3 2 321.553 3.351 20 0 DGADLP COc1ccc2c(c1)[nH+]ccc2N1CCC(n2cc[nH+]c2)CC1 ZINC000765480463 622267495 /nfs/dbraw/zinc/26/74/95/622267495.db2.gz GYKRBQLPQMZXIP-UHFFFAOYSA-N 2 2 308.385 3.281 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000765814559 622289423 /nfs/dbraw/zinc/28/94/23/622289423.db2.gz DWZLXFXBNUOXES-GVDBMIGSSA-N 2 2 302.466 3.058 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000765814559 622289425 /nfs/dbraw/zinc/28/94/25/622289425.db2.gz DWZLXFXBNUOXES-GVDBMIGSSA-N 2 2 302.466 3.058 20 0 DGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccnc(Cl)c1 ZINC000765974968 622298095 /nfs/dbraw/zinc/29/80/95/622298095.db2.gz JMCVWIXPRZLNGA-CZUORRHYSA-N 2 2 323.868 3.029 20 0 DGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCO2 ZINC000766438606 622330149 /nfs/dbraw/zinc/33/01/49/622330149.db2.gz OJELWVMWZDXJQJ-FUHWJXTLSA-N 2 2 320.502 3.100 20 0 DGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000123098856 622463561 /nfs/dbraw/zinc/46/35/61/622463561.db2.gz BCWYKUFBHXIOIQ-MRXNPFEDSA-N 2 2 301.434 3.006 20 0 DGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374305 622626374 /nfs/dbraw/zinc/62/63/74/622626374.db2.gz LCKGDIFWJMPLFP-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cnc1Cl ZINC000770374305 622626377 /nfs/dbraw/zinc/62/63/77/622626377.db2.gz LCKGDIFWJMPLFP-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnc1Cl ZINC000770374305 622626381 /nfs/dbraw/zinc/62/63/81/622626381.db2.gz LCKGDIFWJMPLFP-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnc1Cl ZINC000770374305 622626384 /nfs/dbraw/zinc/62/63/84/622626384.db2.gz LCKGDIFWJMPLFP-NVXWUHKLSA-N 2 2 319.880 3.492 20 0 DGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCOC1 ZINC000872026536 622760016 /nfs/dbraw/zinc/76/00/16/622760016.db2.gz FTVGBBQEYARHGV-WBVHZDCISA-N 2 2 317.408 3.306 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129739 622823559 /nfs/dbraw/zinc/82/35/59/622823559.db2.gz BFWPTEIAJZNFJG-GVXVVHGQSA-N 2 2 301.356 3.234 20 0 DGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)nc1 ZINC000872129739 622823566 /nfs/dbraw/zinc/82/35/66/622823566.db2.gz BFWPTEIAJZNFJG-GVXVVHGQSA-N 2 2 301.356 3.234 20 0 DGADLP CCCc1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158111 622839634 /nfs/dbraw/zinc/83/96/34/622839634.db2.gz SXZWPPRSDSGZBU-GDBMZVCRSA-N 2 2 320.481 3.142 20 0 DGADLP CCCc1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872158111 622839638 /nfs/dbraw/zinc/83/96/38/622839638.db2.gz SXZWPPRSDSGZBU-GDBMZVCRSA-N 2 2 320.481 3.142 20 0 DGADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000773067687 622976450 /nfs/dbraw/zinc/97/64/50/622976450.db2.gz YCGLUKPBIMPQBU-SFHVURJKSA-N 2 2 316.493 3.421 20 0 DGADLP c1[nH]nc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000773067687 622976452 /nfs/dbraw/zinc/97/64/52/622976452.db2.gz YCGLUKPBIMPQBU-SFHVURJKSA-N 2 2 316.493 3.421 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000773093659 622983145 /nfs/dbraw/zinc/98/31/45/622983145.db2.gz FOAXILXZAMQHNM-DOTOQJQBSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000773093659 622983149 /nfs/dbraw/zinc/98/31/49/622983149.db2.gz FOAXILXZAMQHNM-DOTOQJQBSA-N 2 2 313.420 3.363 20 0 DGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(F)n3)CC2)C1 ZINC000773097306 622984244 /nfs/dbraw/zinc/98/42/44/622984244.db2.gz RKJBUVFLSJXPCK-WMLDXEAASA-N 2 2 305.441 3.353 20 0 DGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2nccnc2c1 ZINC000873023039 623019354 /nfs/dbraw/zinc/01/93/54/623019354.db2.gz WFFXVTJLOKXCBD-KRWDZBQOSA-N 2 2 309.417 3.031 20 0 DGADLP COCCC1([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000873224997 623081544 /nfs/dbraw/zinc/08/15/44/623081544.db2.gz PTJMGKIBVMWXSZ-UHFFFAOYSA-N 2 2 317.260 3.242 20 0 DGADLP Clc1cc2cccnc2c(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230924 623084059 /nfs/dbraw/zinc/08/40/59/623084059.db2.gz ZWJPYBVBSVDMDJ-NVXWUHKLSA-N 2 2 301.821 3.262 20 0 DGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccc(F)cc12 ZINC000873248599 623090462 /nfs/dbraw/zinc/09/04/62/623090462.db2.gz GZPCIJWMULNJBN-JSGCOSHPSA-N 2 2 305.397 3.367 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000774167864 623115509 /nfs/dbraw/zinc/11/55/09/623115509.db2.gz YJPANOVKTPRJDQ-LPWQTFTOSA-N 2 2 314.473 3.324 20 0 DGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000774167864 623115512 /nfs/dbraw/zinc/11/55/12/623115512.db2.gz YJPANOVKTPRJDQ-LPWQTFTOSA-N 2 2 314.473 3.324 20 0 DGADLP COCCSc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000775351548 623258718 /nfs/dbraw/zinc/25/87/18/623258718.db2.gz JBPSWOZMYRTIBZ-HNNXBMFYSA-N 2 2 308.491 3.172 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000775371111 623261447 /nfs/dbraw/zinc/26/14/47/623261447.db2.gz UBGXJLKHUMLBCJ-OXGONZEZSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[N@H+]1CCC[C@@H](C)C1 ZINC000775371111 623261451 /nfs/dbraw/zinc/26/14/51/623261451.db2.gz UBGXJLKHUMLBCJ-OXGONZEZSA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775379682 623262314 /nfs/dbraw/zinc/26/23/14/623262314.db2.gz TVHZHUZGTYNGAQ-DGADGQDISA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775379682 623262317 /nfs/dbraw/zinc/26/23/17/623262317.db2.gz TVHZHUZGTYNGAQ-DGADGQDISA-N 2 2 314.564 3.076 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775386813 623264910 /nfs/dbraw/zinc/26/49/10/623264910.db2.gz UQFUSXMFZAUHSA-JKJDWNRSSA-N 2 2 314.564 3.219 20 0 DGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775386813 623264915 /nfs/dbraw/zinc/26/49/15/623264915.db2.gz UQFUSXMFZAUHSA-JKJDWNRSSA-N 2 2 314.564 3.219 20 0 DGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775390842 623265868 /nfs/dbraw/zinc/26/58/68/623265868.db2.gz QFFJRRKCLUWHRE-LVQVYYBASA-N 2 2 314.564 3.220 20 0 DGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775390842 623265874 /nfs/dbraw/zinc/26/58/74/623265874.db2.gz QFFJRRKCLUWHRE-LVQVYYBASA-N 2 2 314.564 3.220 20 0 DGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439777 623274881 /nfs/dbraw/zinc/27/48/81/623274881.db2.gz WTXDDESZZJIQLU-LPHOPBHVSA-N 2 2 302.462 3.086 20 0 DGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000775439777 623274887 /nfs/dbraw/zinc/27/48/87/623274887.db2.gz WTXDDESZZJIQLU-LPHOPBHVSA-N 2 2 302.462 3.086 20 0 DGADLP FC(F)SCc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC000778188103 623622157 /nfs/dbraw/zinc/62/21/57/623622157.db2.gz QXEQEVMBVGQQMG-JTQLQIEISA-N 2 2 313.373 3.037 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@@H+]1C ZINC000876765535 623701581 /nfs/dbraw/zinc/70/15/81/623701581.db2.gz SSHJSAIFPARTFY-BBRMVZONSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3c(F)cccc3c2)CC[N@H+]1C ZINC000876765535 623701587 /nfs/dbraw/zinc/70/15/87/623701587.db2.gz SSHJSAIFPARTFY-BBRMVZONSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765535 623701592 /nfs/dbraw/zinc/70/15/92/623701592.db2.gz SSHJSAIFPARTFY-BBRMVZONSA-N 2 2 301.409 3.288 20 0 DGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(F)cccc3c2)CC[NH+]1C ZINC000876765535 623701596 /nfs/dbraw/zinc/70/15/96/623701596.db2.gz SSHJSAIFPARTFY-BBRMVZONSA-N 2 2 301.409 3.288 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812161 623713538 /nfs/dbraw/zinc/71/35/38/623713538.db2.gz KIGALYXLBTZGLV-ABAIWWIYSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812161 623713543 /nfs/dbraw/zinc/71/35/43/623713543.db2.gz KIGALYXLBTZGLV-ABAIWWIYSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812161 623713549 /nfs/dbraw/zinc/71/35/49/623713549.db2.gz KIGALYXLBTZGLV-ABAIWWIYSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cncc3Cl)CC[C@@H]21 ZINC000876812161 623713552 /nfs/dbraw/zinc/71/35/52/623713552.db2.gz KIGALYXLBTZGLV-ABAIWWIYSA-N 2 2 314.260 3.305 20 0 DGADLP COc1c(C)cnc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1C ZINC000876969214 623757464 /nfs/dbraw/zinc/75/74/64/623757464.db2.gz WZFJQBXBGHPRKE-UHFFFAOYSA-N 2 2 322.412 3.183 20 0 DGADLP COc1ncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000876993809 623761854 /nfs/dbraw/zinc/76/18/54/623761854.db2.gz RFOCWIKNJIZKBJ-UHFFFAOYSA-N 2 2 323.506 3.286 20 0 DGADLP C[NH+](C)Cc1cc(C[NH2+]Cc2nc(Cl)cs2)ccc1F ZINC000877044913 623775233 /nfs/dbraw/zinc/77/52/33/623775233.db2.gz KZBQWWYWBCLXKK-UHFFFAOYSA-N 2 2 313.829 3.287 20 0 DGADLP CCC[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877143522 623805906 /nfs/dbraw/zinc/80/59/06/623805906.db2.gz QOSSWPLWGXXQGO-UHFFFAOYSA-N 2 2 307.825 3.445 20 0 DGADLP Cc1nc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393911 624065411 /nfs/dbraw/zinc/06/54/11/624065411.db2.gz JAYXMHYCIMCJCO-GDBMZVCRSA-N 2 2 302.466 3.467 20 0 DGADLP Cc1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000781393911 624065414 /nfs/dbraw/zinc/06/54/14/624065414.db2.gz JAYXMHYCIMCJCO-GDBMZVCRSA-N 2 2 302.466 3.467 20 0 DGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258847 624228884 /nfs/dbraw/zinc/22/88/84/624228884.db2.gz VWBLSUKRGQDFFW-BXUZGUMPSA-N 2 2 304.356 3.461 20 0 DGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258847 624228885 /nfs/dbraw/zinc/22/88/85/624228885.db2.gz VWBLSUKRGQDFFW-BXUZGUMPSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258847 624228888 /nfs/dbraw/zinc/22/88/88/624228888.db2.gz VWBLSUKRGQDFFW-BXUZGUMPSA-N 2 2 304.356 3.461 20 0 DGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)[C@H](C)C1 ZINC000878258847 624228891 /nfs/dbraw/zinc/22/88/91/624228891.db2.gz VWBLSUKRGQDFFW-BXUZGUMPSA-N 2 2 304.356 3.461 20 0 DGADLP c1cn(CCCC2CC[NH+](C[C@H]3CC4(CCC4)CO3)CC2)c[nH+]1 ZINC000878402694 624268687 /nfs/dbraw/zinc/26/86/87/624268687.db2.gz OONWFJRLGQCOAD-GOSISDBHSA-N 2 2 317.477 3.335 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1scnc1Cl ZINC000878513065 624295070 /nfs/dbraw/zinc/29/50/70/624295070.db2.gz UFJHTEYGLYEDNF-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1scnc1Cl ZINC000878513065 624295071 /nfs/dbraw/zinc/29/50/71/624295071.db2.gz UFJHTEYGLYEDNF-UHFFFAOYSA-N 2 2 312.870 3.468 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000783244788 624330028 /nfs/dbraw/zinc/33/00/28/624330028.db2.gz WCSZHADGLFNTEJ-HKUYNNGSSA-N 2 2 304.478 3.302 20 0 DGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000783244788 624330030 /nfs/dbraw/zinc/33/00/30/624330030.db2.gz WCSZHADGLFNTEJ-HKUYNNGSSA-N 2 2 304.478 3.302 20 0 DGADLP C[NH+](C)C1(C[NH2+][C@H](c2ccccc2)C2CCOCC2)CCC1 ZINC000783315184 624338156 /nfs/dbraw/zinc/33/81/56/624338156.db2.gz WKPPWMOPVBYORK-GOSISDBHSA-N 2 2 302.462 3.228 20 0 DGADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000879206059 624451037 /nfs/dbraw/zinc/45/10/37/624451037.db2.gz DBWXUPRWBAIFLE-GOSISDBHSA-N 2 2 320.452 3.200 20 0 DGADLP Clc1ccsc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000785466972 624671136 /nfs/dbraw/zinc/67/11/36/624671136.db2.gz RTLJSZXIODRHSF-ZDUSSCGKSA-N 2 2 314.882 3.135 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880132635 624799431 /nfs/dbraw/zinc/79/94/31/624799431.db2.gz PWVFNKQZQTXLAA-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880132635 624799437 /nfs/dbraw/zinc/79/94/37/624799437.db2.gz PWVFNKQZQTXLAA-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880132635 624799441 /nfs/dbraw/zinc/79/94/41/624799441.db2.gz PWVFNKQZQTXLAA-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880132635 624799447 /nfs/dbraw/zinc/79/94/47/624799447.db2.gz PWVFNKQZQTXLAA-MOPGFXCFSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1C ZINC000880130200 624799929 /nfs/dbraw/zinc/79/99/29/624799929.db2.gz DVKXSAKEWXMYBC-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1C ZINC000880130200 624799930 /nfs/dbraw/zinc/79/99/30/624799930.db2.gz DVKXSAKEWXMYBC-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1C ZINC000880130200 624799931 /nfs/dbraw/zinc/79/99/31/624799931.db2.gz DVKXSAKEWXMYBC-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1C ZINC000880130200 624799932 /nfs/dbraw/zinc/79/99/32/624799932.db2.gz DVKXSAKEWXMYBC-RBUKOAKNSA-N 2 2 302.462 3.241 20 0 DGADLP c1ccc(CCCC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880204687 624838186 /nfs/dbraw/zinc/83/81/86/624838186.db2.gz JPCQOVJQKRBMMA-HXUWFJFHSA-N 2 2 316.489 3.242 20 0 DGADLP c1ccc(CCCC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880204687 624838190 /nfs/dbraw/zinc/83/81/90/624838190.db2.gz JPCQOVJQKRBMMA-HXUWFJFHSA-N 2 2 316.489 3.242 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCCc2nc(C)no2)CC1 ZINC000880254909 624871579 /nfs/dbraw/zinc/87/15/79/624871579.db2.gz SAZFSOREGDGGKE-UHFFFAOYSA-N 2 2 320.481 3.041 20 0 DGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000788500209 625199872 /nfs/dbraw/zinc/19/98/72/625199872.db2.gz ZDWAIMLCUKSVIN-YJBOKZPZSA-N 2 2 311.429 3.275 20 0 DGADLP CSC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000788605193 625225546 /nfs/dbraw/zinc/22/55/46/625225546.db2.gz HSVBHQNHXFQJBS-UHFFFAOYSA-N 2 2 319.518 3.207 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166278 625949531 /nfs/dbraw/zinc/94/95/31/625949531.db2.gz WOIBSOYLANDFPB-OALUTQOASA-N 2 2 320.452 3.367 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883166278 625949537 /nfs/dbraw/zinc/94/95/37/625949537.db2.gz WOIBSOYLANDFPB-OALUTQOASA-N 2 2 320.452 3.367 20 0 DGADLP O[C@H](C[N@@H+](Cc1ccccc1Cl)CC1CC1)C[NH+]1CCCC1 ZINC000796262408 626033520 /nfs/dbraw/zinc/03/35/20/626033520.db2.gz XKOQZPUNSDOHGD-KRWDZBQOSA-N 2 2 322.880 3.009 20 0 DGADLP O[C@H](C[N@H+](Cc1ccccc1Cl)CC1CC1)C[NH+]1CCCC1 ZINC000796262408 626033523 /nfs/dbraw/zinc/03/35/23/626033523.db2.gz XKOQZPUNSDOHGD-KRWDZBQOSA-N 2 2 322.880 3.009 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc3c(s2)CCCC3)s1 ZINC000796278670 626034786 /nfs/dbraw/zinc/03/47/86/626034786.db2.gz CABPINXXGWLPKP-UHFFFAOYSA-N 2 2 321.515 3.435 20 0 DGADLP C[N@H+](Cc1cc(Cl)nc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453112 626051831 /nfs/dbraw/zinc/05/18/31/626051831.db2.gz DJAAGAPEJCSUOV-FUNVUKJBSA-N 2 2 314.260 3.445 20 0 DGADLP C[N@@H+](Cc1cc(Cl)nc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453112 626051833 /nfs/dbraw/zinc/05/18/33/626051833.db2.gz DJAAGAPEJCSUOV-FUNVUKJBSA-N 2 2 314.260 3.445 20 0 DGADLP C[NH+](Cc1cc(Cl)nc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796453112 626051835 /nfs/dbraw/zinc/05/18/35/626051835.db2.gz DJAAGAPEJCSUOV-FUNVUKJBSA-N 2 2 314.260 3.445 20 0 DGADLP C[NH+](Cc1cc(Cl)nc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796453112 626051838 /nfs/dbraw/zinc/05/18/38/626051838.db2.gz DJAAGAPEJCSUOV-FUNVUKJBSA-N 2 2 314.260 3.445 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1SC(C)(C)C ZINC000798184199 626200421 /nfs/dbraw/zinc/20/04/21/626200421.db2.gz RQYJABDFATYZBZ-KGLIPLIRSA-N 2 2 310.507 3.150 20 0 DGADLP CC(C)OC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000800242769 626344393 /nfs/dbraw/zinc/34/43/93/626344393.db2.gz JGUVHXKBUJZCPP-INIZCTEOSA-N 2 2 319.493 3.125 20 0 DGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253269 626625022 /nfs/dbraw/zinc/62/50/22/626625022.db2.gz NJRSSGPHCXBMCJ-LPHOPBHVSA-N 2 2 313.489 3.462 20 0 DGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253269 626625026 /nfs/dbraw/zinc/62/50/26/626625026.db2.gz NJRSSGPHCXBMCJ-LPHOPBHVSA-N 2 2 313.489 3.462 20 0 DGADLP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883262039 626627924 /nfs/dbraw/zinc/62/79/24/626627924.db2.gz UMEPOQQGYWEVRE-BZSNNMDCSA-N 2 2 302.462 3.054 20 0 DGADLP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000883262039 626627927 /nfs/dbraw/zinc/62/79/27/626627927.db2.gz UMEPOQQGYWEVRE-BZSNNMDCSA-N 2 2 302.462 3.054 20 0 DGADLP CCOCCC[N@@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883342269 626654411 /nfs/dbraw/zinc/65/44/11/626654411.db2.gz QXVBFZRKJLTRKR-YJBOKZPZSA-N 2 2 305.466 3.247 20 0 DGADLP CCOCCC[N@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883342269 626654413 /nfs/dbraw/zinc/65/44/13/626654413.db2.gz QXVBFZRKJLTRKR-YJBOKZPZSA-N 2 2 305.466 3.247 20 0 DGADLP CCn1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386757 626668592 /nfs/dbraw/zinc/66/85/92/626668592.db2.gz MINCYXNLKIHMHL-YJBOKZPZSA-N 2 2 309.417 3.192 20 0 DGADLP CC1(C)C[C@H](C[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])C(C)(C)O1 ZINC000883434687 626681111 /nfs/dbraw/zinc/68/11/11/626681111.db2.gz YMPRJYAGVHAZRB-NVXWUHKLSA-N 2 2 302.462 3.138 20 0 DGADLP CC1(C)C[C@H](C[N@H+]2CCc3ccccc3[C@H]2C[NH3+])C(C)(C)O1 ZINC000883434687 626681112 /nfs/dbraw/zinc/68/11/12/626681112.db2.gz YMPRJYAGVHAZRB-NVXWUHKLSA-N 2 2 302.462 3.138 20 0 DGADLP Cc1ccc2c(C[N@@H+]3[C@H](C)[C@@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445628 626683762 /nfs/dbraw/zinc/68/37/62/626683762.db2.gz GYOSONAIEGMGKY-LZWOXQAQSA-N 2 2 314.429 3.049 20 0 DGADLP Cc1ccc2c(C[N@H+]3[C@H](C)[C@@H](C)CC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000883445628 626683764 /nfs/dbraw/zinc/68/37/64/626683764.db2.gz GYOSONAIEGMGKY-LZWOXQAQSA-N 2 2 314.429 3.049 20 0 DGADLP Cc1ccc2c(C[N@@H+](C)C3(C[NH3+])CCCCC3)cc(=O)oc2c1 ZINC000883454229 626685471 /nfs/dbraw/zinc/68/54/71/626685471.db2.gz ULTSZTPFXBKEON-UHFFFAOYSA-N 2 2 314.429 3.195 20 0 DGADLP Cc1ccc2c(C[N@H+](C)C3(C[NH3+])CCCCC3)cc(=O)oc2c1 ZINC000883454229 626685472 /nfs/dbraw/zinc/68/54/72/626685472.db2.gz ULTSZTPFXBKEON-UHFFFAOYSA-N 2 2 314.429 3.195 20 0 DGADLP CCC1([NH+]2CCC2)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000884717792 626934783 /nfs/dbraw/zinc/93/47/83/626934783.db2.gz LWIPRNIUYULCLL-UHFFFAOYSA-N 2 2 300.450 3.117 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976090 626965028 /nfs/dbraw/zinc/96/50/28/626965028.db2.gz GGJGRYKWEJDKDD-OCCSQVGLSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1csc2ccccc21 ZINC000809976090 626965033 /nfs/dbraw/zinc/96/50/33/626965033.db2.gz GGJGRYKWEJDKDD-OCCSQVGLSA-N 2 2 304.459 3.007 20 0 DGADLP CCCCn1nc(C)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000810171640 626984517 /nfs/dbraw/zinc/98/45/17/626984517.db2.gz NYTUFNKVOSPITM-GFCCVEGCSA-N 2 2 321.856 3.015 20 0 DGADLP COc1cc(C)cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1OC ZINC000885927133 627062031 /nfs/dbraw/zinc/06/20/31/627062031.db2.gz NLUWMHRQABOZEW-UHFFFAOYSA-N 2 2 320.477 3.365 20 0 DGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ncco1 ZINC000886272100 627128616 /nfs/dbraw/zinc/12/86/16/627128616.db2.gz GWWTUYUATMJUPX-AWEZNQCLSA-N 2 2 314.433 3.060 20 0 DGADLP Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000886436479 627148738 /nfs/dbraw/zinc/14/87/38/627148738.db2.gz ZWVWCSOGLDAYCL-FQEVSTJZSA-N 2 2 321.424 3.346 20 0 DGADLP Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000886436479 627148739 /nfs/dbraw/zinc/14/87/39/627148739.db2.gz ZWVWCSOGLDAYCL-FQEVSTJZSA-N 2 2 321.424 3.346 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000886635065 627177394 /nfs/dbraw/zinc/17/73/94/627177394.db2.gz UPYXAKOFPVSPBF-FUFFSDJGSA-N 3 2 319.537 3.390 20 0 DGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000886635065 627177396 /nfs/dbraw/zinc/17/73/96/627177396.db2.gz UPYXAKOFPVSPBF-FUFFSDJGSA-N 3 2 319.537 3.390 20 0 DGADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(Cl)cn3)CC2)[nH+]c1C ZINC000886659683 627182670 /nfs/dbraw/zinc/18/26/70/627182670.db2.gz SOJQEIWQNGPINW-UHFFFAOYSA-N 2 2 304.825 3.455 20 0 DGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cn2c(n1)CCCC2 ZINC000813324011 627477802 /nfs/dbraw/zinc/47/78/02/627477802.db2.gz YEFUPYAQAMNADN-CYBMUJFWSA-N 2 2 304.482 3.179 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000815139203 627636137 /nfs/dbraw/zinc/63/61/37/627636137.db2.gz BDQYAKUVXGMFBB-LJQANCHMSA-N 2 2 313.445 3.239 20 0 DGADLP CCc1nocc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000815139203 627636140 /nfs/dbraw/zinc/63/61/40/627636140.db2.gz BDQYAKUVXGMFBB-LJQANCHMSA-N 2 2 313.445 3.239 20 0 DGADLP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924533759 627645738 /nfs/dbraw/zinc/64/57/38/627645738.db2.gz LSFKEUHSNYFMDB-IBGZPJMESA-N 2 2 306.413 3.356 20 0 DGADLP CC(C)CC[NH+]1CCC([NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000924548834 627647993 /nfs/dbraw/zinc/64/79/93/627647993.db2.gz BFXUKOQCSJETLB-QGZVFWFLSA-N 2 2 323.550 3.451 20 0 DGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924624570 627659286 /nfs/dbraw/zinc/65/92/86/627659286.db2.gz LXZCGPRKWBACLP-OALUTQOASA-N 2 2 313.445 3.082 20 0 DGADLP CCC(CC)[C@H](CN[C@H](C)c1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000924631167 627659804 /nfs/dbraw/zinc/65/98/04/627659804.db2.gz FOGLXXUWDJRINU-PBHICJAKSA-N 2 2 306.498 3.236 20 0 DGADLP Clc1ccnc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924644850 627661933 /nfs/dbraw/zinc/66/19/33/627661933.db2.gz AKZRHWUWTZFUKY-OAHLLOKOSA-N 2 2 316.836 3.087 20 0 DGADLP C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cn2c([nH+]1)CCCC2 ZINC000924693647 627668829 /nfs/dbraw/zinc/66/88/29/627668829.db2.gz FIZOBBFHVGDRHX-YJBOKZPZSA-N 2 2 318.509 3.381 20 0 DGADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774772 627678476 /nfs/dbraw/zinc/67/84/76/627678476.db2.gz DMEGVRCQBIBWBJ-YJBOKZPZSA-N 2 2 319.424 3.431 20 0 DGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774508 627678722 /nfs/dbraw/zinc/67/87/22/627678722.db2.gz BNZDVWACELCELN-DOTOQJQBSA-N 2 2 317.408 3.162 20 0 DGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(Br)CC1 ZINC000924770814 627678729 /nfs/dbraw/zinc/67/87/29/627678729.db2.gz UARMBUIKTLWADD-LBPRGKRZSA-N 2 2 320.234 3.278 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616212 627690862 /nfs/dbraw/zinc/69/08/62/627690862.db2.gz JABDIQQLUHBKHN-RDTXWAMCSA-N 2 2 322.518 3.294 20 0 DGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(C)(C)C ZINC000815616212 627690865 /nfs/dbraw/zinc/69/08/65/627690865.db2.gz JABDIQQLUHBKHN-RDTXWAMCSA-N 2 2 322.518 3.294 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000924907680 627692925 /nfs/dbraw/zinc/69/29/25/627692925.db2.gz OPRUJUAVFCYYMR-JKSUJKDBSA-N 2 2 307.507 3.416 20 0 DGADLP CC(C)c1nc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000924907680 627692926 /nfs/dbraw/zinc/69/29/26/627692926.db2.gz OPRUJUAVFCYYMR-JKSUJKDBSA-N 2 2 307.507 3.416 20 0 DGADLP c1ccc(NCCCC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)[nH+]c1 ZINC000924927280 627694112 /nfs/dbraw/zinc/69/41/12/627694112.db2.gz OROSGSIGOHEJDY-SJLPKXTDSA-N 2 2 303.450 3.069 20 0 DGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cn2c(n1)CCCC2 ZINC000925086692 627707464 /nfs/dbraw/zinc/70/74/64/627707464.db2.gz QBTVOZXTKWRJTG-ZBFHGGJFSA-N 2 2 306.498 3.236 20 0 DGADLP CSC1CC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000925181582 627716319 /nfs/dbraw/zinc/71/63/19/627716319.db2.gz VXEGUOJUGNQDPF-GPANFISMSA-N 2 2 301.459 3.188 20 0 DGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1(Cl)CC1 ZINC000925181913 627716347 /nfs/dbraw/zinc/71/63/47/627716347.db2.gz ZJUSUAQYNBMTCN-ZFWWWQNUSA-N 2 2 303.837 3.453 20 0 DGADLP Cc1nc2ccccc2n1CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925509082 627744469 /nfs/dbraw/zinc/74/44/69/627744469.db2.gz LDHUOKHDSZHQEL-FOIQADDNSA-N 2 2 322.456 3.413 20 0 DGADLP C[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])Oc1ccccc1F ZINC000925521446 627746233 /nfs/dbraw/zinc/74/62/33/627746233.db2.gz CKDGSHQIEIJJRK-GLJUWKHASA-N 2 2 302.393 3.271 20 0 DGADLP Cc1cccc2oc(CC[NH2+][C@@H](c3ccccc3)[C@H](C)[NH3+])nc21 ZINC000925525948 627747813 /nfs/dbraw/zinc/74/78/13/627747813.db2.gz GQUOYDNABCCAPB-IFXJQAMLSA-N 2 2 309.413 3.357 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551587 627752715 /nfs/dbraw/zinc/75/27/15/627752715.db2.gz BWKKHELANWMHJK-LMMKCTJWSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925551587 627752717 /nfs/dbraw/zinc/75/27/17/627752717.db2.gz BWKKHELANWMHJK-LMMKCTJWSA-N 3 2 303.494 3.177 20 0 DGADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000925572760 627756990 /nfs/dbraw/zinc/75/69/90/627756990.db2.gz JTVNXFPQKXXTMJ-TUFGIGEDSA-N 2 2 316.420 3.316 20 0 DGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000925580043 627758012 /nfs/dbraw/zinc/75/80/12/627758012.db2.gz INVNMVGSNHPCDX-ZDUSSCGKSA-N 2 2 309.866 3.222 20 0 DGADLP CSC1CC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000925589849 627759870 /nfs/dbraw/zinc/75/98/70/627759870.db2.gz BUNCFAVJVRFIPT-IGEOTXOUSA-N 2 2 305.491 3.091 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccnnc2)c(C)c1 ZINC000925591681 627760204 /nfs/dbraw/zinc/76/02/04/627760204.db2.gz COFGPINBOLXDJG-APWZRJJASA-N 2 2 321.428 3.382 20 0 DGADLP CC1(C)[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925605056 627761365 /nfs/dbraw/zinc/76/13/65/627761365.db2.gz ODOIQLLPQGQLJM-IRWJRLHMSA-N 2 2 304.409 3.016 20 0 DGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CCC2 ZINC000925639939 627767842 /nfs/dbraw/zinc/76/78/42/627767842.db2.gz NJKSDIPEIYGRHR-XYVMCAHJSA-N 2 2 316.493 3.208 20 0 DGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925647867 627769474 /nfs/dbraw/zinc/76/94/74/627769474.db2.gz JNEOERJIIPGBAH-MAZHCROVSA-N 2 2 308.853 3.290 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccn2)cc1 ZINC000925662948 627772464 /nfs/dbraw/zinc/77/24/64/627772464.db2.gz MOCNGYURDZRODA-OTWHNJEPSA-N 2 2 307.441 3.339 20 0 DGADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccccc1 ZINC000925676166 627775185 /nfs/dbraw/zinc/77/51/85/627775185.db2.gz YISCALBFMROPIH-QOKNQOGYSA-N 2 2 313.420 3.083 20 0 DGADLP FC(F)n1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000925719695 627781003 /nfs/dbraw/zinc/78/10/03/627781003.db2.gz UPEVPUZXNIVIDW-OAHLLOKOSA-N 2 2 305.372 3.411 20 0 DGADLP COc1cccc([C@H](C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])OC)c1 ZINC000925720922 627781064 /nfs/dbraw/zinc/78/10/64/627781064.db2.gz KGEXUVZVBODGDK-JVPBZIDWSA-N 2 2 314.429 3.061 20 0 DGADLP Cc1ccc2c(c1)[C@H]([N@@H+]1CCc3sc(C[NH3+])nc3C1)CCC2 ZINC000925748346 627786747 /nfs/dbraw/zinc/78/67/47/627786747.db2.gz OYMYTQOEYDDLQP-MRXNPFEDSA-N 2 2 313.470 3.346 20 0 DGADLP Cc1ccc2c(c1)[C@H]([N@H+]1CCc3sc(C[NH3+])nc3C1)CCC2 ZINC000925748346 627786751 /nfs/dbraw/zinc/78/67/51/627786751.db2.gz OYMYTQOEYDDLQP-MRXNPFEDSA-N 2 2 313.470 3.346 20 0 DGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925791858 627796622 /nfs/dbraw/zinc/79/66/22/627796622.db2.gz COXKZBYIODIHOF-GDBMZVCRSA-N 2 2 320.502 3.218 20 0 DGADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3nc4c(s3)CCC4)CC[NH2+]2)cc1 ZINC000925814820 627799384 /nfs/dbraw/zinc/79/93/84/627799384.db2.gz QRWYYUYYJRXYHE-GDBMZVCRSA-N 2 2 313.470 3.215 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925815504 627799573 /nfs/dbraw/zinc/79/95/73/627799573.db2.gz XNXLHRPYJJAKJB-ICSRJNTNSA-N 2 2 318.424 3.281 20 0 DGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)c2cccnc2)cc1 ZINC000925815505 627800090 /nfs/dbraw/zinc/80/00/90/627800090.db2.gz XNXLHRPYJJAKJB-QUCCMNQESA-N 2 2 318.424 3.281 20 0 DGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000925879591 627810943 /nfs/dbraw/zinc/81/09/43/627810943.db2.gz ACWDBCKCKNFKBE-CWFSZBLJSA-N 2 2 310.441 3.369 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000926119657 627846866 /nfs/dbraw/zinc/84/68/66/627846866.db2.gz OLLYXTGIUXVVTC-OWCLPIDISA-N 2 2 319.497 3.163 20 0 DGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000926119657 627846869 /nfs/dbraw/zinc/84/68/69/627846869.db2.gz OLLYXTGIUXVVTC-OWCLPIDISA-N 2 2 319.497 3.163 20 0 DGADLP CC(C)(C[NH2+][C@@H]1CCc2c1nccc2Cl)C[NH+]1CCCC1 ZINC000926276081 627872717 /nfs/dbraw/zinc/87/27/17/627872717.db2.gz SWDPHYBTTNPISF-OAHLLOKOSA-N 2 2 307.869 3.434 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926405850 627890637 /nfs/dbraw/zinc/89/06/37/627890637.db2.gz GHKPXPZPZMJSFF-JCHJZTRSSA-N 2 2 302.462 3.023 20 0 DGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926405850 627890639 /nfs/dbraw/zinc/89/06/39/627890639.db2.gz GHKPXPZPZMJSFF-JCHJZTRSSA-N 2 2 302.462 3.023 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469867 627900156 /nfs/dbraw/zinc/90/01/56/627900156.db2.gz HGHAFXGHDLJHGN-POAQFYNOSA-N 3 2 315.505 3.142 20 0 DGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C[NH+](C)C ZINC000926469867 627900157 /nfs/dbraw/zinc/90/01/57/627900157.db2.gz HGHAFXGHDLJHGN-POAQFYNOSA-N 3 2 315.505 3.142 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926494563 627903998 /nfs/dbraw/zinc/90/39/98/627903998.db2.gz JBTSQCPRRQOVIC-USXIJHARSA-N 2 2 302.487 3.482 20 0 DGADLP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926494563 627904000 /nfs/dbraw/zinc/90/40/00/627904000.db2.gz JBTSQCPRRQOVIC-USXIJHARSA-N 2 2 302.487 3.482 20 0 DGADLP Cc1cc(Cl)nc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817933114 627965762 /nfs/dbraw/zinc/96/57/62/627965762.db2.gz YLQQQSVYGJUNLR-CJNGLKHVSA-N 2 2 303.837 3.092 20 0 DGADLP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000817947730 627970625 /nfs/dbraw/zinc/97/06/25/627970625.db2.gz PMDXTPLZLYVMKA-INIZCTEOSA-N 3 2 320.440 3.224 20 0 DGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1SC(C)(C)C ZINC000817984257 627983452 /nfs/dbraw/zinc/98/34/52/627983452.db2.gz WYMFVCAJYRWTAG-KBPBESRZSA-N 2 2 308.491 3.216 20 0 DGADLP Cc1ccc(NCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000927072881 628008356 /nfs/dbraw/zinc/00/83/56/628008356.db2.gz QQZGQYVVIFVPRB-MRXNPFEDSA-N 2 2 321.428 3.338 20 0 DGADLP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000819339302 628136266 /nfs/dbraw/zinc/13/62/66/628136266.db2.gz JIGHKKLDKIHYCU-HKUYNNGSSA-N 2 2 304.478 3.129 20 0 DGADLP C[C@@H]1CC[NH2+][C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000822728126 628485701 /nfs/dbraw/zinc/48/57/01/628485701.db2.gz HQXKTHMJVANTSH-CZUORRHYSA-N 2 2 323.400 3.042 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CS1 ZINC000840855225 630367322 /nfs/dbraw/zinc/36/73/22/630367322.db2.gz KIRDLHLLHHZQFS-GDBMZVCRSA-N 2 2 319.518 3.205 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000842478166 630540055 /nfs/dbraw/zinc/54/00/55/630540055.db2.gz GHHYYARZCJZCAM-YQQAZPJKSA-N 2 2 317.477 3.055 20 0 DGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000842478166 630540059 /nfs/dbraw/zinc/54/00/59/630540059.db2.gz GHHYYARZCJZCAM-YQQAZPJKSA-N 2 2 317.477 3.055 20 0 DGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000842780409 630575533 /nfs/dbraw/zinc/57/55/33/630575533.db2.gz WVTFIXOTYOVCCP-XYJFISCASA-N 2 2 313.489 3.500 20 0 DGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000843050965 630608162 /nfs/dbraw/zinc/60/81/62/630608162.db2.gz COFWRIAPBRAXAF-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1 ZINC000843050965 630608163 /nfs/dbraw/zinc/60/81/63/630608163.db2.gz COFWRIAPBRAXAF-AWEZNQCLSA-N 2 2 302.393 3.184 20 0 DGADLP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)ccc2O1 ZINC000843129582 630617511 /nfs/dbraw/zinc/61/75/11/630617511.db2.gz WJPBVGFMRVFOMZ-QGZVFWFLSA-N 2 2 300.446 3.164 20 0 DGADLP Cc1cc2ncn(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000121530503 630627673 /nfs/dbraw/zinc/62/76/73/630627673.db2.gz GRBHKFXOZVOUHR-IFXJQAMLSA-N 2 2 323.444 3.390 20 0 DGADLP Cc1cc2ncn(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000121530503 630627677 /nfs/dbraw/zinc/62/76/77/630627677.db2.gz GRBHKFXOZVOUHR-IFXJQAMLSA-N 2 2 323.444 3.390 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000843359616 630649389 /nfs/dbraw/zinc/64/93/89/630649389.db2.gz OJAZOFAZDXAFMV-GJZGRUSLSA-N 2 2 324.900 3.247 20 0 DGADLP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000843359616 630649393 /nfs/dbraw/zinc/64/93/93/630649393.db2.gz OJAZOFAZDXAFMV-GJZGRUSLSA-N 2 2 324.900 3.247 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC000843361278 630649921 /nfs/dbraw/zinc/64/99/21/630649921.db2.gz WTRGGRPRCDWYLB-ZXFUBFMLSA-N 2 2 315.392 3.325 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1coc(-c2cccc(F)c2)n1 ZINC000843361278 630649922 /nfs/dbraw/zinc/64/99/22/630649922.db2.gz WTRGGRPRCDWYLB-ZXFUBFMLSA-N 2 2 315.392 3.325 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC000843360574 630650116 /nfs/dbraw/zinc/65/01/16/630650116.db2.gz DHPNTRYQZFJHBK-ZXFUBFMLSA-N 2 2 315.392 3.325 20 0 DGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(F)cc2)n1 ZINC000843360574 630650118 /nfs/dbraw/zinc/65/01/18/630650118.db2.gz DHPNTRYQZFJHBK-ZXFUBFMLSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@](C)(O)c1ccccc1 ZINC000846041204 631207805 /nfs/dbraw/zinc/20/78/05/631207805.db2.gz YSRYDDLXRUGTJU-OXQOHEQNSA-N 2 2 321.424 3.258 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000846144914 631211751 /nfs/dbraw/zinc/21/17/51/631211751.db2.gz KVFCOCSQAFYJPR-QRVBRYPASA-N 2 2 320.452 3.366 20 0 DGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000846144914 631211752 /nfs/dbraw/zinc/21/17/52/631211752.db2.gz KVFCOCSQAFYJPR-QRVBRYPASA-N 2 2 320.452 3.366 20 0 DGADLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000849078181 631828600 /nfs/dbraw/zinc/82/86/00/631828600.db2.gz XCYLQODNZZOELE-SFHVURJKSA-N 2 2 318.509 3.354 20 0 DGADLP CC(C)CCNC(=[NH2+])NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000849113330 631839521 /nfs/dbraw/zinc/83/95/21/631839521.db2.gz SWLDWOQHUHKWPR-UHFFFAOYSA-N 2 2 319.840 3.186 20 0 DGADLP COCc1csc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000850060857 632043550 /nfs/dbraw/zinc/04/35/50/632043550.db2.gz VQKSEDLLJAIGLD-OAHLLOKOSA-N 2 2 307.463 3.296 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000850174783 632072281 /nfs/dbraw/zinc/07/22/81/632072281.db2.gz UQUAZIITHOUQSW-UONOGXRCSA-N 2 2 316.367 3.390 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000850173540 632072289 /nfs/dbraw/zinc/07/22/89/632072289.db2.gz LNZYPHOSGYNBKI-CHWSQXEVSA-N 2 2 316.367 3.390 20 0 DGADLP Cc1cccn2cc(CCNC(=[NH2+])Nc3ccc(C)c(C)c3)[nH+]c12 ZINC000083052811 660249989 /nfs/dbraw/zinc/24/99/89/660249989.db2.gz XKOZOJKFWFBLKM-UHFFFAOYSA-N 2 2 321.428 3.229 20 0 DGADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000703877427 660794598 /nfs/dbraw/zinc/79/45/98/660794598.db2.gz FNWPWSXWUQWCHZ-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CC(C)C)[C@H](C)C2)c(C)[nH+]1 ZINC001036114166 660875893 /nfs/dbraw/zinc/87/58/93/660875893.db2.gz BIRNAVRVSMHJKT-RHSMWYFYSA-N 2 2 317.477 3.103 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001036429360 660904849 /nfs/dbraw/zinc/90/48/49/660904849.db2.gz ZRUNFIVCFCKVMS-NVXWUHKLSA-N 2 2 317.477 3.246 20 0 DGADLP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000710676046 660937035 /nfs/dbraw/zinc/93/70/35/660937035.db2.gz AACUVHSKKQMFIF-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000710676046 660937037 /nfs/dbraw/zinc/93/70/37/660937037.db2.gz AACUVHSKKQMFIF-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000710676046 660937040 /nfs/dbraw/zinc/93/70/40/660937040.db2.gz AACUVHSKKQMFIF-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP c1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000710676046 660937042 /nfs/dbraw/zinc/93/70/42/660937042.db2.gz AACUVHSKKQMFIF-DLBZAZTESA-N 2 2 313.470 3.097 20 0 DGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@H](OC)C3)cc2)CC1 ZINC000792841803 660988353 /nfs/dbraw/zinc/98/83/53/660988353.db2.gz PCWOFXIGKOXVMH-MJGOQNOKSA-N 2 2 317.477 3.198 20 0 DGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000793519948 661040746 /nfs/dbraw/zinc/04/07/46/661040746.db2.gz RNFHWVDMEOMTSO-MRXNPFEDSA-N 2 2 312.461 3.044 20 0 DGADLP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000234220717 655636039 /nfs/dbraw/zinc/63/60/39/655636039.db2.gz WJPNCZLXOQFUNO-UHFFFAOYSA-N 2 2 302.249 3.162 20 0 DGADLP CCc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)[NH+](C)C)cc1 ZINC000066242349 655939087 /nfs/dbraw/zinc/93/90/87/655939087.db2.gz UMIRGKMMZBTQSO-GOSISDBHSA-N 2 2 310.445 3.088 20 0 DGADLP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000929803122 661340102 /nfs/dbraw/zinc/34/01/02/661340102.db2.gz BXMVBRRRMOMIQU-STQMWFEESA-N 2 2 317.355 3.089 20 0 DGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620887 656415559 /nfs/dbraw/zinc/41/55/59/656415559.db2.gz IUHNKWQEIHYIEO-HZPDHXFCSA-N 2 2 322.493 3.057 20 0 DGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620887 656415566 /nfs/dbraw/zinc/41/55/66/656415566.db2.gz IUHNKWQEIHYIEO-HZPDHXFCSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620887 656415569 /nfs/dbraw/zinc/41/55/69/656415569.db2.gz IUHNKWQEIHYIEO-HZPDHXFCSA-N 2 2 322.493 3.057 20 0 DGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000931620887 656415571 /nfs/dbraw/zinc/41/55/71/656415571.db2.gz IUHNKWQEIHYIEO-HZPDHXFCSA-N 2 2 322.493 3.057 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000895380508 657441989 /nfs/dbraw/zinc/44/19/89/657441989.db2.gz YXZCNIQUCXQNBB-UKRRQHHQSA-N 2 2 307.507 3.184 20 0 DGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000895380508 657441994 /nfs/dbraw/zinc/44/19/94/657441994.db2.gz YXZCNIQUCXQNBB-UKRRQHHQSA-N 2 2 307.507 3.184 20 0 DGADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1)c1cccc(F)c1 ZINC000303260904 657525875 /nfs/dbraw/zinc/52/58/75/657525875.db2.gz NVVCXPWQDULXTI-MRXNPFEDSA-N 2 2 300.381 3.065 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]C(C)C)c(C)[nH+]1 ZINC001037216161 657607889 /nfs/dbraw/zinc/60/78/89/657607889.db2.gz QFTVBIJMGVESGH-IAGOWNOFSA-N 2 2 317.477 3.293 20 0 DGADLP CCOCCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000165127565 658967238 /nfs/dbraw/zinc/96/72/38/658967238.db2.gz AXOMYYNEERCVQJ-UHFFFAOYSA-N 2 2 319.493 3.128 20 0 DGADLP C[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226437414 659118048 /nfs/dbraw/zinc/11/80/48/659118048.db2.gz NMCDWLCTNMQYPF-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226437414 659118051 /nfs/dbraw/zinc/11/80/51/659118051.db2.gz NMCDWLCTNMQYPF-NSHDSACASA-N 2 2 315.230 3.020 20 0 DGADLP C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000088735419 659500781 /nfs/dbraw/zinc/50/07/81/659500781.db2.gz ZPUFVBULTWACHO-BEFAXECRSA-N 2 2 301.478 3.500 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000069627073 660010320 /nfs/dbraw/zinc/01/03/20/660010320.db2.gz HQZRTIHLXHRQBR-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000069627073 660010317 /nfs/dbraw/zinc/01/03/17/660010317.db2.gz HQZRTIHLXHRQBR-NXEZZACHSA-N 2 2 303.269 3.070 20 0 DGADLP [NH3+]CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000324967055 660168277 /nfs/dbraw/zinc/16/82/77/660168277.db2.gz MGTWBQHCBSPWRM-KRWDZBQOSA-N 2 2 318.424 3.325 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1Br ZINC000929637799 661323066 /nfs/dbraw/zinc/32/30/66/661323066.db2.gz PGFMIQQUDXXQIS-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1Br ZINC000929637799 661323068 /nfs/dbraw/zinc/32/30/68/661323068.db2.gz PGFMIQQUDXXQIS-CYBMUJFWSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1Br ZINC000929637800 661323214 /nfs/dbraw/zinc/32/32/14/661323214.db2.gz PGFMIQQUDXXQIS-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1Br ZINC000929637800 661323217 /nfs/dbraw/zinc/32/32/17/661323217.db2.gz PGFMIQQUDXXQIS-ZDUSSCGKSA-N 2 2 311.267 3.141 20 0 DGADLP C[N@@H+]1CCCC12CC[NH+](C1CC(OCc3ccccc3)C1)CC2 ZINC000930171120 661373519 /nfs/dbraw/zinc/37/35/19/661373519.db2.gz LFYOXTKWGKWTHG-UHFFFAOYSA-N 2 2 314.473 3.294 20 0 DGADLP C[N@H+]1CCCC12CC[NH+](C1CC(OCc3ccccc3)C1)CC2 ZINC000930171120 661373522 /nfs/dbraw/zinc/37/35/22/661373522.db2.gz LFYOXTKWGKWTHG-UHFFFAOYSA-N 2 2 314.473 3.294 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374759 661393246 /nfs/dbraw/zinc/39/32/46/661393246.db2.gz YBAYYFDLCYZFDY-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374759 661393249 /nfs/dbraw/zinc/39/32/49/661393249.db2.gz YBAYYFDLCYZFDY-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374759 661393252 /nfs/dbraw/zinc/39/32/52/661393252.db2.gz YBAYYFDLCYZFDY-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cnc(C)o3)C2)s1 ZINC000930374759 661393256 /nfs/dbraw/zinc/39/32/56/661393256.db2.gz YBAYYFDLCYZFDY-OAHLLOKOSA-N 2 2 319.474 3.307 20 0 DGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600744 661414270 /nfs/dbraw/zinc/41/42/70/661414270.db2.gz AQBGVUBJZXJVLY-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600744 661414272 /nfs/dbraw/zinc/41/42/72/661414272.db2.gz AQBGVUBJZXJVLY-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600744 661414274 /nfs/dbraw/zinc/41/42/74/661414274.db2.gz AQBGVUBJZXJVLY-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000930600744 661414276 /nfs/dbraw/zinc/41/42/76/661414276.db2.gz AQBGVUBJZXJVLY-LJQANCHMSA-N 2 2 311.429 3.259 20 0 DGADLP CCCC[N@H+](CCc1c[nH+]cn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033589 661447091 /nfs/dbraw/zinc/44/70/91/661447091.db2.gz IRUCLEVDABVBAG-UHFFFAOYSA-N 3 2 320.525 3.374 20 0 DGADLP CCCC[N@@H+](CCc1c[nH+]cn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033589 661447093 /nfs/dbraw/zinc/44/70/93/661447093.db2.gz IRUCLEVDABVBAG-UHFFFAOYSA-N 3 2 320.525 3.374 20 0 DGADLP CO[C@H](C[NH+]1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000931352461 661469776 /nfs/dbraw/zinc/46/97/76/661469776.db2.gz LWXBCDOEAGSJHX-MRXNPFEDSA-N 2 2 310.869 3.444 20 0 DGADLP c1cn(CCC[N@@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)c[nH+]1 ZINC000931371215 661471290 /nfs/dbraw/zinc/47/12/90/661471290.db2.gz WBFZSXUCSAHONW-HNNXBMFYSA-N 2 2 309.417 3.029 20 0 DGADLP c1cn(CCC[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)c[nH+]1 ZINC000931371215 661471292 /nfs/dbraw/zinc/47/12/92/661471292.db2.gz WBFZSXUCSAHONW-HNNXBMFYSA-N 2 2 309.417 3.029 20 0 DGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719760 661502192 /nfs/dbraw/zinc/50/21/92/661502192.db2.gz NLBRDQVFNKVWLX-MTQWCTHYSA-N 2 2 314.473 3.465 20 0 DGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719760 661502194 /nfs/dbraw/zinc/50/21/94/661502194.db2.gz NLBRDQVFNKVWLX-MTQWCTHYSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719760 661502198 /nfs/dbraw/zinc/50/21/98/661502198.db2.gz NLBRDQVFNKVWLX-MTQWCTHYSA-N 2 2 314.473 3.465 20 0 DGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000931719760 661502201 /nfs/dbraw/zinc/50/22/01/661502201.db2.gz NLBRDQVFNKVWLX-MTQWCTHYSA-N 2 2 314.473 3.465 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932265194 661554852 /nfs/dbraw/zinc/55/48/52/661554852.db2.gz NZEBGWDKFBQZQL-IBGZPJMESA-N 2 2 321.428 3.251 20 0 DGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932265194 661554854 /nfs/dbraw/zinc/55/48/54/661554854.db2.gz NZEBGWDKFBQZQL-IBGZPJMESA-N 2 2 321.428 3.251 20 0 DGADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933819887 661660964 /nfs/dbraw/zinc/66/09/64/661660964.db2.gz SWJVMNVMHOAQNZ-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933819887 661660965 /nfs/dbraw/zinc/66/09/65/661660965.db2.gz SWJVMNVMHOAQNZ-UHFFFAOYSA-N 2 2 306.413 3.462 20 0 DGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618474 661875437 /nfs/dbraw/zinc/87/54/37/661875437.db2.gz ODCNZQKXOBUKMZ-OLZOCXBDSA-N 2 2 314.260 3.305 20 0 DGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618474 661875440 /nfs/dbraw/zinc/87/54/40/661875440.db2.gz ODCNZQKXOBUKMZ-OLZOCXBDSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618474 661875442 /nfs/dbraw/zinc/87/54/42/661875442.db2.gz ODCNZQKXOBUKMZ-OLZOCXBDSA-N 2 2 314.260 3.305 20 0 DGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)nc(Cl)c3)CC[C@@H]21 ZINC000158618474 661875445 /nfs/dbraw/zinc/87/54/45/661875445.db2.gz ODCNZQKXOBUKMZ-OLZOCXBDSA-N 2 2 314.260 3.305 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426774 662283504 /nfs/dbraw/zinc/28/35/04/662283504.db2.gz IYIJKQKTEPGYFS-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC000719426774 662283505 /nfs/dbraw/zinc/28/35/05/662283505.db2.gz IYIJKQKTEPGYFS-ZJUUUORDSA-N 2 2 317.658 3.272 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC[N@@H+]1C ZINC000246976106 662294472 /nfs/dbraw/zinc/29/44/72/662294472.db2.gz IRJJBJHQSDLXNG-VHDGCEQUSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC[N@H+]1C ZINC000246976106 662294474 /nfs/dbraw/zinc/29/44/74/662294474.db2.gz IRJJBJHQSDLXNG-VHDGCEQUSA-N 2 2 304.459 3.007 20 0 DGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000390318161 685200416 /nfs/dbraw/zinc/20/04/16/685200416.db2.gz XFVQIUIEUVIEBB-GUYCJALGSA-N 2 2 315.417 3.377 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394418 685230705 /nfs/dbraw/zinc/23/07/05/685230705.db2.gz KVPROQVNFIYBQA-WZRBSPASSA-N 2 2 311.813 3.053 20 0 DGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394418 685230712 /nfs/dbraw/zinc/23/07/12/685230712.db2.gz KVPROQVNFIYBQA-WZRBSPASSA-N 2 2 311.813 3.053 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608742 1191853221 /nfs/dbraw/zinc/85/32/21/1191853221.db2.gz WXICYXPJUAUXPG-CJNGLKHVSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001576608742 1191853224 /nfs/dbraw/zinc/85/32/24/1191853224.db2.gz WXICYXPJUAUXPG-CJNGLKHVSA-N 2 2 315.392 3.325 20 0 DGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2O1 ZINC001576863698 1191872269 /nfs/dbraw/zinc/87/22/69/1191872269.db2.gz XLKVEHBZWFMIMK-JLSDUUJJSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2O1 ZINC001576863698 1191872272 /nfs/dbraw/zinc/87/22/72/1191872272.db2.gz XLKVEHBZWFMIMK-JLSDUUJJSA-N 2 2 300.446 3.117 20 0 DGADLP CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001577736975 1191914776 /nfs/dbraw/zinc/91/47/76/1191914776.db2.gz JNNCZJNIPNTJTR-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001577736975 1191914778 /nfs/dbraw/zinc/91/47/78/1191914778.db2.gz JNNCZJNIPNTJTR-AWEZNQCLSA-N 2 2 316.367 3.202 20 0 DGADLP CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cs1 ZINC001578905010 1191960894 /nfs/dbraw/zinc/96/08/94/1191960894.db2.gz QLWRKFMIYQPNCJ-WFASDCNBSA-N 2 2 323.506 3.061 20 0 DGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212626 1191969516 /nfs/dbraw/zinc/96/95/16/1191969516.db2.gz HHFHJQZCZMSROH-DNVCBOLYSA-N 2 2 302.462 3.306 20 0 DGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C(C)(C)C ZINC001579212626 1191969517 /nfs/dbraw/zinc/96/95/17/1191969517.db2.gz HHFHJQZCZMSROH-DNVCBOLYSA-N 2 2 302.462 3.306 20 0 DGADLP Cc1[nH]nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514384 1191978508 /nfs/dbraw/zinc/97/85/08/1191978508.db2.gz OCTLBCDAAPEXGW-NVXWUHKLSA-N 2 2 304.482 3.146 20 0 DGADLP Cc1[nH]nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1C ZINC001579514384 1191978510 /nfs/dbraw/zinc/97/85/10/1191978510.db2.gz OCTLBCDAAPEXGW-NVXWUHKLSA-N 2 2 304.482 3.146 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@@H+](CC(C)(C)C[NH3+])CC2 ZINC001579551661 1191979626 /nfs/dbraw/zinc/97/96/26/1191979626.db2.gz PYFXXNITBKSBRX-UHFFFAOYSA-N 2 2 311.267 3.101 20 0 DGADLP Cc1cc(Br)c2c(c1)C[N@H+](CC(C)(C)C[NH3+])CC2 ZINC001579551661 1191979627 /nfs/dbraw/zinc/97/96/27/1191979627.db2.gz PYFXXNITBKSBRX-UHFFFAOYSA-N 2 2 311.267 3.101 20 0 DGADLP Clc1nccc2oc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc21 ZINC001579939990 1191999766 /nfs/dbraw/zinc/99/97/66/1191999766.db2.gz JUEPGSUKKDVBPH-INIZCTEOSA-N 2 2 305.809 3.057 20 0 DGADLP Clc1nccc2oc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc21 ZINC001579939990 1191999769 /nfs/dbraw/zinc/99/97/69/1191999769.db2.gz JUEPGSUKKDVBPH-INIZCTEOSA-N 2 2 305.809 3.057 20 0 DGADLP Clc1ccc(-c2cccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)c2)cc1 ZINC001579938236 1191999784 /nfs/dbraw/zinc/99/97/84/1191999784.db2.gz QIYNZEFRLXZMBC-SFHVURJKSA-N 2 2 316.832 3.085 20 0 DGADLP FC(F)(F)c1cccc([C@@]2(F)CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001580022014 1192003062 /nfs/dbraw/zinc/00/30/62/1192003062.db2.gz YNTBLIOOJNBXAK-IUODEOHRSA-N 2 2 316.342 3.185 20 0 DGADLP FC(F)(F)c1cccc([C@@]2(F)CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC001580022014 1192003064 /nfs/dbraw/zinc/00/30/64/1192003064.db2.gz YNTBLIOOJNBXAK-IUODEOHRSA-N 2 2 316.342 3.185 20 0 DGADLP Fc1ccccc1-c1ncc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC001580033941 1192004267 /nfs/dbraw/zinc/00/42/67/1192004267.db2.gz DXQKWAIYYUDCHD-KRWDZBQOSA-N 2 2 317.433 3.135 20 0 DGADLP Fc1ccccc1-c1ncc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC001580033941 1192004269 /nfs/dbraw/zinc/00/42/69/1192004269.db2.gz DXQKWAIYYUDCHD-KRWDZBQOSA-N 2 2 317.433 3.135 20 0 DGADLP CCO[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C12CCC2 ZINC001620803126 1192084216 /nfs/dbraw/zinc/08/42/16/1192084216.db2.gz JWZAILUPYNONAY-HOTGVXAUSA-N 2 2 317.458 3.371 20 0 DGADLP C[C@@H](CCc1ccccc1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC001661634455 1196625973 /nfs/dbraw/zinc/62/59/73/1196625973.db2.gz NXGSOQKCCREESQ-FUHWJXTLSA-N 2 2 306.519 3.282 20 0 DGADLP CCO[C@@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC001661651841 1196627763 /nfs/dbraw/zinc/62/77/63/1196627763.db2.gz MKNDRMPNFGJGNB-INIZCTEOSA-N 2 2 307.463 3.475 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001583786662 1192160415 /nfs/dbraw/zinc/16/04/15/1192160415.db2.gz FFQJRNVHPVTJLG-GOEBONIOSA-N 2 2 312.417 3.136 20 0 DGADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001583786661 1192160523 /nfs/dbraw/zinc/16/05/23/1192160523.db2.gz FFQJRNVHPVTJLG-GDBMZVCRSA-N 2 2 312.417 3.136 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1(F)CCCCC1 ZINC001586300125 1192320040 /nfs/dbraw/zinc/32/00/40/1192320040.db2.gz DDOXTBZNIUFQEZ-UHFFFAOYSA-N 2 2 302.353 3.187 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCO[C@H](C)C2)c(C)c1 ZINC001620871449 1192502458 /nfs/dbraw/zinc/50/24/58/1192502458.db2.gz AREWOVKRZNCQBB-AOIWGVFYSA-N 2 2 313.445 3.398 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)CC2 ZINC000378918396 1176754175 /nfs/dbraw/zinc/75/41/75/1176754175.db2.gz NOFBGTXPKICWMI-MAUKXSAKSA-N 2 2 302.462 3.017 20 0 DGADLP CCC[N@H+](Cc1ccc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000395141260 1176758250 /nfs/dbraw/zinc/75/82/50/1176758250.db2.gz YMNURHVBCVERTJ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP CCC[N@@H+](Cc1ccc(Br)cc1C)[C@@H]1CC[NH2+]C1 ZINC000395141260 1176758254 /nfs/dbraw/zinc/75/82/54/1176758254.db2.gz YMNURHVBCVERTJ-OAHLLOKOSA-N 2 2 311.267 3.331 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000133666411 1177331970 /nfs/dbraw/zinc/33/19/70/1177331970.db2.gz RSCYLUHBCYJOCS-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP c1cn2cc(CN3CCCC4(C[NH+](C5CCCC5)C4)C3)ccc2[nH+]1 ZINC001275797282 1177938771 /nfs/dbraw/zinc/93/87/71/1177938771.db2.gz JHPGZBKDQXGQBQ-UHFFFAOYSA-N 2 2 324.472 3.175 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC001332684183 1178471473 /nfs/dbraw/zinc/47/14/73/1178471473.db2.gz KVBHUDJABTVAGH-INIZCTEOSA-N 2 2 301.409 3.056 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC001332684183 1178471475 /nfs/dbraw/zinc/47/14/75/1178471475.db2.gz KVBHUDJABTVAGH-INIZCTEOSA-N 2 2 301.409 3.056 20 0 DGADLP CCc1onc(C)c1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001333852425 1178685311 /nfs/dbraw/zinc/68/53/11/1178685311.db2.gz VQQCHMKSUJBSIM-OAHLLOKOSA-N 2 2 314.433 3.325 20 0 DGADLP CCc1onc(C)c1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001333852425 1178685316 /nfs/dbraw/zinc/68/53/16/1178685316.db2.gz VQQCHMKSUJBSIM-OAHLLOKOSA-N 2 2 314.433 3.325 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001335356344 1178900353 /nfs/dbraw/zinc/90/03/53/1178900353.db2.gz KPQHMYMQZZUDRG-QGTPRVQTSA-N 2 2 313.420 3.370 20 0 DGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001335356344 1178900355 /nfs/dbraw/zinc/90/03/55/1178900355.db2.gz KPQHMYMQZZUDRG-QGTPRVQTSA-N 2 2 313.420 3.370 20 0 DGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)[nH+]c1C ZINC001344559773 1179451486 /nfs/dbraw/zinc/45/14/86/1179451486.db2.gz UVPGJSWBERQJQO-CABCVRRESA-N 2 2 312.417 3.150 20 0 DGADLP COc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001621046243 1192957508 /nfs/dbraw/zinc/95/75/08/1192957508.db2.gz ZFNVVECGCMMHIV-SFHVURJKSA-N 2 2 307.397 3.423 20 0 DGADLP FC1(F)CCC(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001349709286 1179938309 /nfs/dbraw/zinc/93/83/09/1179938309.db2.gz JFNNBRHEIVUZCS-MRXNPFEDSA-N 2 2 316.436 3.045 20 0 DGADLP FC1(F)CCC(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC001349709286 1179938314 /nfs/dbraw/zinc/93/83/14/1179938314.db2.gz JFNNBRHEIVUZCS-MRXNPFEDSA-N 2 2 316.436 3.045 20 0 DGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001350720970 1180110673 /nfs/dbraw/zinc/11/06/73/1180110673.db2.gz OIYUKZPBHYZHEH-CQSZACIVSA-N 2 2 310.401 3.485 20 0 DGADLP CO[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC001350957297 1180150705 /nfs/dbraw/zinc/15/07/05/1180150705.db2.gz QHCDRFQEOFNLCK-RCCFBDPRSA-N 2 2 306.425 3.120 20 0 DGADLP CO[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC001350957297 1180150710 /nfs/dbraw/zinc/15/07/10/1180150710.db2.gz QHCDRFQEOFNLCK-RCCFBDPRSA-N 2 2 306.425 3.120 20 0 DGADLP Cc1nc(C)c(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001200346733 1180565146 /nfs/dbraw/zinc/56/51/46/1180565146.db2.gz RCVKHPRSJYAFTP-UHFFFAOYSA-N 2 2 318.471 3.339 20 0 DGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cn1 ZINC001353932832 1180687733 /nfs/dbraw/zinc/68/77/33/1180687733.db2.gz MCFACWQFLZKVHE-GFCCVEGCSA-N 2 2 301.356 3.237 20 0 DGADLP CCC[C@@H](C)CCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001459470064 1182588942 /nfs/dbraw/zinc/58/89/42/1182588942.db2.gz ZAVUWHPGEHQBNN-MRXNPFEDSA-N 2 2 305.466 3.429 20 0 DGADLP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001460090189 1182649717 /nfs/dbraw/zinc/64/97/17/1182649717.db2.gz QAGKZAAYYRIFEU-MSOLQXFVSA-N 2 2 308.510 3.390 20 0 DGADLP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001460090189 1182649723 /nfs/dbraw/zinc/64/97/23/1182649723.db2.gz QAGKZAAYYRIFEU-MSOLQXFVSA-N 2 2 308.510 3.390 20 0 DGADLP CCCOc1cccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001460558403 1182696447 /nfs/dbraw/zinc/69/64/47/1182696447.db2.gz HMOYVDSMGXIBIB-RTBURBONSA-N 2 2 302.462 3.249 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cccc(OC(F)F)c3)C[C@]2(C)C1 ZINC001460559484 1182696621 /nfs/dbraw/zinc/69/66/21/1182696621.db2.gz HXUKNIJNNHZTAS-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](Cc3cccc(OC(F)F)c3)C[C@]2(C)C1 ZINC001460559484 1182696624 /nfs/dbraw/zinc/69/66/24/1182696624.db2.gz HXUKNIJNNHZTAS-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](Cc3cccc(OC(F)F)c3)C[C@]2(C)C1 ZINC001460559484 1182696627 /nfs/dbraw/zinc/69/66/27/1182696627.db2.gz HXUKNIJNNHZTAS-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@]2(C)C1 ZINC001460559484 1182696629 /nfs/dbraw/zinc/69/66/29/1182696629.db2.gz HXUKNIJNNHZTAS-CALCHBBNSA-N 2 2 310.388 3.062 20 0 DGADLP C=C/C=C\CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001460831361 1182729137 /nfs/dbraw/zinc/72/91/37/1182729137.db2.gz ACCBLFGLVLZKAX-ARJAWSKDSA-N 2 2 314.473 3.343 20 0 DGADLP C=C/C=C\CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001460831361 1182729144 /nfs/dbraw/zinc/72/91/44/1182729144.db2.gz ACCBLFGLVLZKAX-ARJAWSKDSA-N 2 2 314.473 3.343 20 0 DGADLP C=C/C=C\CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001460831361 1182729149 /nfs/dbraw/zinc/72/91/49/1182729149.db2.gz ACCBLFGLVLZKAX-ARJAWSKDSA-N 2 2 314.473 3.343 20 0 DGADLP C=C/C=C\CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001460831361 1182729158 /nfs/dbraw/zinc/72/91/58/1182729158.db2.gz ACCBLFGLVLZKAX-ARJAWSKDSA-N 2 2 314.473 3.343 20 0 DGADLP c1ccc(C[N@@H+]2CCC[NH+]([C@@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836893 1182730013 /nfs/dbraw/zinc/73/00/13/1182730013.db2.gz OTCCMZIWWZCMQN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP c1ccc(C[N@H+]2CCC[NH+]([C@@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836893 1182730017 /nfs/dbraw/zinc/73/00/17/1182730017.db2.gz OTCCMZIWWZCMQN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP c1ccc(C[NH+]2CCC[N@@H+]([C@@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836893 1182730021 /nfs/dbraw/zinc/73/00/21/1182730021.db2.gz OTCCMZIWWZCMQN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP c1ccc(C[NH+]2CCC[N@H+]([C@@H]3C=CCCC3)CCOCC2)cc1 ZINC001460836893 1182730026 /nfs/dbraw/zinc/73/00/26/1182730026.db2.gz OTCCMZIWWZCMQN-HXUWFJFHSA-N 2 2 314.473 3.320 20 0 DGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CCO1 ZINC001460972525 1182748697 /nfs/dbraw/zinc/74/86/97/1182748697.db2.gz KLYYCXFMUKOWEJ-BZUAXINKSA-N 2 2 305.466 3.385 20 0 DGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)CCO1 ZINC001460972525 1182748703 /nfs/dbraw/zinc/74/87/03/1182748703.db2.gz KLYYCXFMUKOWEJ-BZUAXINKSA-N 2 2 305.466 3.385 20 0 DGADLP CC1CC[NH+](CCC[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001461011475 1182756026 /nfs/dbraw/zinc/75/60/26/1182756026.db2.gz FTQIUGTXHPQCKN-UHFFFAOYSA-N 2 2 320.868 3.199 20 0 DGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC001461047366 1182761908 /nfs/dbraw/zinc/76/19/08/1182761908.db2.gz VKSSUIMSWIFAFV-CHWSQXEVSA-N 2 2 324.900 3.398 20 0 DGADLP c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(C2CCCC2)c1 ZINC001461177908 1182777332 /nfs/dbraw/zinc/77/73/32/1182777332.db2.gz KSXQYTVBWQWIQM-PMACEKPBSA-N 2 2 314.473 3.297 20 0 DGADLP c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(C2CCCC2)c1 ZINC001461177908 1182777341 /nfs/dbraw/zinc/77/73/41/1182777341.db2.gz KSXQYTVBWQWIQM-PMACEKPBSA-N 2 2 314.473 3.297 20 0 DGADLP CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC[NH+]1CCC1 ZINC001461411102 1182809479 /nfs/dbraw/zinc/80/94/79/1182809479.db2.gz GCICCKOIHDUCMB-MRXNPFEDSA-N 2 2 321.484 3.493 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CCCC1 ZINC001461424485 1182811446 /nfs/dbraw/zinc/81/14/46/1182811446.db2.gz OXTODJOCUDAWPO-UHFFFAOYSA-N 2 2 320.868 3.199 20 0 DGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001461426347 1182811997 /nfs/dbraw/zinc/81/19/97/1182811997.db2.gz OQICHDVWBQQALN-HOTGVXAUSA-N 2 2 312.461 3.077 20 0 DGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001461426347 1182812005 /nfs/dbraw/zinc/81/20/05/1182812005.db2.gz OQICHDVWBQQALN-HOTGVXAUSA-N 2 2 312.461 3.077 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c(C)c1 ZINC001461520689 1182821981 /nfs/dbraw/zinc/82/19/81/1182821981.db2.gz KZFNCZRFQVBUBA-RRGNZLCHSA-N 2 2 316.489 3.061 20 0 DGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c(C)c1 ZINC001461520689 1182821992 /nfs/dbraw/zinc/82/19/92/1182821992.db2.gz KZFNCZRFQVBUBA-RRGNZLCHSA-N 2 2 316.489 3.061 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657328 1182838441 /nfs/dbraw/zinc/83/84/41/1182838441.db2.gz ZCBLRQUXEDIHDG-SJORKVTESA-N 2 2 302.462 3.017 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657328 1182838448 /nfs/dbraw/zinc/83/84/48/1182838448.db2.gz ZCBLRQUXEDIHDG-SJORKVTESA-N 2 2 302.462 3.017 20 0 DGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657324 1182839010 /nfs/dbraw/zinc/83/90/10/1182839010.db2.gz ZCBLRQUXEDIHDG-IRXDYDNUSA-N 2 2 302.462 3.017 20 0 DGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(cccc3OC)C2)C1 ZINC001461657324 1182839014 /nfs/dbraw/zinc/83/90/14/1182839014.db2.gz ZCBLRQUXEDIHDG-IRXDYDNUSA-N 2 2 302.462 3.017 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001461679802 1182842452 /nfs/dbraw/zinc/84/24/52/1182842452.db2.gz IQDIEZXVYXUQES-KDOFPFPSSA-N 2 2 300.446 3.117 20 0 DGADLP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001461679802 1182842464 /nfs/dbraw/zinc/84/24/64/1182842464.db2.gz IQDIEZXVYXUQES-KDOFPFPSSA-N 2 2 300.446 3.117 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC001461830956 1182865649 /nfs/dbraw/zinc/86/56/49/1182865649.db2.gz AIMDUXJHFUBOAC-ZFWWWQNUSA-N 2 2 311.495 3.205 20 0 DGADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048806 1182900977 /nfs/dbraw/zinc/90/09/77/1182900977.db2.gz DPNPHNGQJLQALZ-DLBZAZTESA-N 2 2 302.462 3.189 20 0 DGADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC001462048806 1182900983 /nfs/dbraw/zinc/90/09/83/1182900983.db2.gz DPNPHNGQJLQALZ-DLBZAZTESA-N 2 2 302.462 3.189 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001462261942 1182930454 /nfs/dbraw/zinc/93/04/54/1182930454.db2.gz VGDUJWJPJYSYPV-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP CC(C)OC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001462261942 1182930456 /nfs/dbraw/zinc/93/04/56/1182930456.db2.gz VGDUJWJPJYSYPV-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001472635619 1183659487 /nfs/dbraw/zinc/65/94/87/1183659487.db2.gz YHLOPBINWVIHLV-KRWDZBQOSA-N 2 2 310.445 3.288 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001472635619 1183659490 /nfs/dbraw/zinc/65/94/90/1183659490.db2.gz YHLOPBINWVIHLV-KRWDZBQOSA-N 2 2 310.445 3.288 20 0 DGADLP Cc1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc(C2CCC2)[nH+]1 ZINC001472883592 1183694944 /nfs/dbraw/zinc/69/49/44/1183694944.db2.gz AHYPASGXROUWIY-QGZVFWFLSA-N 2 2 308.429 3.203 20 0 DGADLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC001473695300 1183791372 /nfs/dbraw/zinc/79/13/72/1183791372.db2.gz KXLIYZGTZAWGOC-QGZVFWFLSA-N 2 2 322.493 3.013 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716297 1183792345 /nfs/dbraw/zinc/79/23/45/1183792345.db2.gz DAFBDICQMDBCBK-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716297 1183792346 /nfs/dbraw/zinc/79/23/46/1183792346.db2.gz DAFBDICQMDBCBK-MSOLQXFVSA-N 2 2 324.509 3.305 20 0 DGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001473931281 1183831894 /nfs/dbraw/zinc/83/18/94/1183831894.db2.gz IXVGWKRYDRGMAA-NEWSRXKRSA-N 2 2 308.510 3.293 20 0 DGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC001473931281 1183831895 /nfs/dbraw/zinc/83/18/95/1183831895.db2.gz IXVGWKRYDRGMAA-NEWSRXKRSA-N 2 2 308.510 3.293 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C)CC2 ZINC001473934409 1183832947 /nfs/dbraw/zinc/83/29/47/1183832947.db2.gz YQYUBXLWTSHLCM-FRQCXROJSA-N 2 2 316.489 3.405 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C)CC2 ZINC001473934409 1183832951 /nfs/dbraw/zinc/83/29/51/1183832951.db2.gz YQYUBXLWTSHLCM-FRQCXROJSA-N 2 2 316.489 3.405 20 0 DGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001473995167 1183845553 /nfs/dbraw/zinc/84/55/53/1183845553.db2.gz LFDRGQLRIVPBKC-MOPGFXCFSA-N 2 2 316.489 3.407 20 0 DGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC001473995167 1183845560 /nfs/dbraw/zinc/84/55/60/1183845560.db2.gz LFDRGQLRIVPBKC-MOPGFXCFSA-N 2 2 316.489 3.407 20 0 DGADLP CCc1cnc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001474031857 1183855073 /nfs/dbraw/zinc/85/50/73/1183855073.db2.gz ZCYPWHCTNDJTJV-UHFFFAOYSA-N 2 2 312.442 3.224 20 0 DGADLP COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1Cl ZINC001474034802 1183855277 /nfs/dbraw/zinc/85/52/77/1183855277.db2.gz JBSWYTSXLVWWKD-UHFFFAOYSA-N 2 2 305.809 3.335 20 0 DGADLP Cc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1C ZINC001474076358 1183862527 /nfs/dbraw/zinc/86/25/27/1183862527.db2.gz HSMSDBIEDAPXDG-IBGZPJMESA-N 2 2 324.472 3.451 20 0 DGADLP Cc1cc(CNc2ccccc2N2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001474099520 1183867341 /nfs/dbraw/zinc/86/73/41/1183867341.db2.gz CMNIBAOGHHIEMC-UHFFFAOYSA-N 2 2 310.445 3.062 20 0 DGADLP COc1cc2[nH]c(NCc3cc(C)[nH+]c(C)c3)[nH+]c2cc1OC ZINC001474250539 1183889370 /nfs/dbraw/zinc/88/93/70/1183889370.db2.gz BYLLYLXJJAPBIY-UHFFFAOYSA-N 2 2 312.373 3.204 20 0 DGADLP CCO[C@H](C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1)C[NH+](C)C ZINC001474262919 1183891347 /nfs/dbraw/zinc/89/13/47/1183891347.db2.gz IGOBRUATWRJBDC-CQSZACIVSA-N 2 2 318.383 3.070 20 0 DGADLP CCO[C@H](C[NH2+]C/C=C/c1cc(C)c(C)cc1C)C[NH+](C)C ZINC001474263400 1183891670 /nfs/dbraw/zinc/89/16/70/1183891670.db2.gz WDCJIMGAWCYELR-CSHXORCISA-N 2 2 304.478 3.181 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495448 1183930263 /nfs/dbraw/zinc/93/02/63/1183930263.db2.gz BOUXCGQWVCBTMF-GVDBMIGSSA-N 2 2 308.510 3.434 20 0 DGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C12CCCC2 ZINC001474495448 1183930265 /nfs/dbraw/zinc/93/02/65/1183930265.db2.gz BOUXCGQWVCBTMF-GVDBMIGSSA-N 2 2 308.510 3.434 20 0 DGADLP CO[C@@](C)(C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC001474537167 1183937365 /nfs/dbraw/zinc/93/73/65/1183937365.db2.gz MNPRZPJFJMIKRL-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP CO[C@@](C)(C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC1 ZINC001474537167 1183937368 /nfs/dbraw/zinc/93/73/68/1183937368.db2.gz MNPRZPJFJMIKRL-IBGZPJMESA-N 2 2 316.489 3.446 20 0 DGADLP COC1(C[NH+]2CCC(c3c[nH+]cn3C)CC2)CCCCCC1 ZINC001474755837 1183974019 /nfs/dbraw/zinc/97/40/19/1183974019.db2.gz VNXBCMIMRFCIAK-UHFFFAOYSA-N 2 2 305.466 3.339 20 0 DGADLP CCC(CC)C[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001479778232 1184321619 /nfs/dbraw/zinc/32/16/19/1184321619.db2.gz QAVLWIADFIYBGB-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CCC(CC)C[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001479778232 1184321625 /nfs/dbraw/zinc/32/16/25/1184321625.db2.gz QAVLWIADFIYBGB-UHFFFAOYSA-N 2 2 316.449 3.051 20 0 DGADLP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480653365 1184567336 /nfs/dbraw/zinc/56/73/36/1184567336.db2.gz BAIMDQCMAFIOGK-GUYCJALGSA-N 2 2 317.477 3.105 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001495709518 1185092238 /nfs/dbraw/zinc/09/22/38/1185092238.db2.gz PGVVLMANUGBSIG-JZLYGMAVSA-N 2 2 317.477 3.008 20 0 DGADLP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001499912245 1185715175 /nfs/dbraw/zinc/71/51/75/1185715175.db2.gz DBIGWXBMGWCZSG-CXAGYDPISA-N 2 2 317.477 3.247 20 0 DGADLP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001506010567 1186182352 /nfs/dbraw/zinc/18/23/52/1186182352.db2.gz UZVOBMCMUMGQFZ-CVEARBPZSA-N 2 2 322.497 3.097 20 0 DGADLP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C)n1cc[nH+]c1 ZINC001506010567 1186182356 /nfs/dbraw/zinc/18/23/56/1186182356.db2.gz UZVOBMCMUMGQFZ-CVEARBPZSA-N 2 2 322.497 3.097 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC001549088301 1186689440 /nfs/dbraw/zinc/68/94/40/1186689440.db2.gz NYAALRSXHXCFAA-MFKMUULPSA-N 2 2 304.381 3.328 20 0 DGADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(F)(F)F)s1)C2 ZINC001549088301 1186689442 /nfs/dbraw/zinc/68/94/42/1186689442.db2.gz NYAALRSXHXCFAA-MFKMUULPSA-N 2 2 304.381 3.328 20 0 DGADLP CCCCn1nc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)c1Cl ZINC001549087781 1188493895 /nfs/dbraw/zinc/49/38/95/1188493895.db2.gz ZZTSINHMRMRUEG-RHSMWYFYSA-N 2 2 324.900 3.206 20 0 DGADLP CCCCn1nc(C)c(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)c1Cl ZINC001549087781 1188493898 /nfs/dbraw/zinc/49/38/98/1188493898.db2.gz ZZTSINHMRMRUEG-RHSMWYFYSA-N 2 2 324.900 3.206 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC001549118165 1188497206 /nfs/dbraw/zinc/49/72/06/1188497206.db2.gz WZXGDJUCEUDDML-BEFAXECRSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccccc1-c1cnc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC001549118165 1188497208 /nfs/dbraw/zinc/49/72/08/1188497208.db2.gz WZXGDJUCEUDDML-BEFAXECRSA-N 2 2 311.429 3.211 20 0 DGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(Cl)n1 ZINC001549224492 1188507889 /nfs/dbraw/zinc/50/78/89/1188507889.db2.gz ZBJUDDCLZACBNL-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(Cl)n1 ZINC001549224492 1188507893 /nfs/dbraw/zinc/50/78/93/1188507893.db2.gz ZBJUDDCLZACBNL-CYBMUJFWSA-N 2 2 304.825 3.157 20 0 DGADLP C[NH+](C)Cc1cnc(C[NH+]2C[C@@H]3[C@@H](C2)C2CCC3CC2)s1 ZINC001549374642 1188515875 /nfs/dbraw/zinc/51/58/75/1188515875.db2.gz XTSQCEOOAQBRBP-BGHVQYPCSA-N 2 2 305.491 3.073 20 0 DGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC001549547015 1188526063 /nfs/dbraw/zinc/52/60/63/1188526063.db2.gz PRUIALGKAYNFHX-CEXWTWQISA-N 2 2 314.473 3.022 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001550060835 1188576530 /nfs/dbraw/zinc/57/65/30/1188576530.db2.gz YAYLNLPNDSLNDT-AWEZNQCLSA-N 2 2 316.424 3.005 20 0 DGADLP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001550060835 1188576533 /nfs/dbraw/zinc/57/65/33/1188576533.db2.gz YAYLNLPNDSLNDT-AWEZNQCLSA-N 2 2 316.424 3.005 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001550531112 1188619976 /nfs/dbraw/zinc/61/99/76/1188619976.db2.gz HNVXNIKXZHWNIV-JKSUJKDBSA-N 2 2 303.450 3.091 20 0 DGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001550531112 1188619978 /nfs/dbraw/zinc/61/99/78/1188619978.db2.gz HNVXNIKXZHWNIV-JKSUJKDBSA-N 2 2 303.450 3.091 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001550618197 1188632539 /nfs/dbraw/zinc/63/25/39/1188632539.db2.gz GPOXRTXVTTULAL-INIZCTEOSA-N 2 2 315.465 3.194 20 0 DGADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001550618197 1188632541 /nfs/dbraw/zinc/63/25/41/1188632541.db2.gz GPOXRTXVTTULAL-INIZCTEOSA-N 2 2 315.465 3.194 20 0 DGADLP Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001550622743 1188633383 /nfs/dbraw/zinc/63/33/83/1188633383.db2.gz LXXYLMRVDSBKSA-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001550622743 1188633385 /nfs/dbraw/zinc/63/33/85/1188633385.db2.gz LXXYLMRVDSBKSA-ZDUSSCGKSA-N 2 2 304.825 3.157 20 0 DGADLP COc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])cc1F ZINC001551378598 1188732269 /nfs/dbraw/zinc/73/22/69/1188732269.db2.gz REILZABJPXNZJT-SDDDUWNISA-N 2 2 300.377 3.110 20 0 DGADLP CCc1cc(N(CC[NH+](C)C)Cc2cccc(C)c2)nc(C)[nH+]1 ZINC001559132119 1189173722 /nfs/dbraw/zinc/17/37/22/1189173722.db2.gz AIYIJRKCSIIEEG-UHFFFAOYSA-N 2 2 312.461 3.224 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)cc(C)[nH+]1 ZINC001559248911 1189186767 /nfs/dbraw/zinc/18/67/67/1189186767.db2.gz PUJKVXJTCNOCSL-QGZVFWFLSA-N 2 2 310.445 3.342 20 0 DGADLP CCc1nc(N[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)cc(C)[nH+]1 ZINC001559248911 1189186773 /nfs/dbraw/zinc/18/67/73/1189186773.db2.gz PUJKVXJTCNOCSL-QGZVFWFLSA-N 2 2 310.445 3.342 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)[C@H]1OC ZINC001559812853 1189245582 /nfs/dbraw/zinc/24/55/82/1189245582.db2.gz MXKHQBSMLUSTQX-CWQOZTLDSA-N 2 2 310.526 3.394 20 0 DGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)[C@H]1OC ZINC001559812853 1189245583 /nfs/dbraw/zinc/24/55/83/1189245583.db2.gz MXKHQBSMLUSTQX-CWQOZTLDSA-N 2 2 310.526 3.394 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069576 1189275234 /nfs/dbraw/zinc/27/52/34/1189275234.db2.gz WEBAUJZNUNLONY-BZSNNMDCSA-N 2 2 324.509 3.161 20 0 DGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069576 1189275235 /nfs/dbraw/zinc/27/52/35/1189275235.db2.gz WEBAUJZNUNLONY-BZSNNMDCSA-N 2 2 324.509 3.161 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069578 1189275665 /nfs/dbraw/zinc/27/56/65/1189275665.db2.gz WEBAUJZNUNLONY-OKZBNKHCSA-N 2 2 324.509 3.161 20 0 DGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001560069578 1189275669 /nfs/dbraw/zinc/27/56/69/1189275669.db2.gz WEBAUJZNUNLONY-OKZBNKHCSA-N 2 2 324.509 3.161 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC001560235369 1189295792 /nfs/dbraw/zinc/29/57/92/1189295792.db2.gz IMXQADGZVAEETG-MDZRGWNJSA-N 2 2 317.477 3.244 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC001560235369 1189295794 /nfs/dbraw/zinc/29/57/94/1189295794.db2.gz IMXQADGZVAEETG-MDZRGWNJSA-N 2 2 317.477 3.244 20 0 DGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001560245403 1189298268 /nfs/dbraw/zinc/29/82/68/1189298268.db2.gz YYKQPJSFEIPCGD-UHFFFAOYSA-N 2 2 301.837 3.476 20 0 DGADLP c1c2ccccc2[nH]c1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC001560274222 1189303789 /nfs/dbraw/zinc/30/37/89/1189303789.db2.gz APVBEBCVDHSGMS-UHFFFAOYSA-N 2 2 320.440 3.317 20 0 DGADLP CCCn1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC001560283590 1189305105 /nfs/dbraw/zinc/30/51/05/1189305105.db2.gz BPPCXGWKGXIIKI-MRXNPFEDSA-N 2 2 303.454 3.003 20 0 DGADLP CC(C)c1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)on1 ZINC001560330189 1189312021 /nfs/dbraw/zinc/31/20/21/1189312021.db2.gz HFWZEMBWTDTSKN-UHFFFAOYSA-N 2 2 302.403 3.335 20 0 DGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cnc1F ZINC001560569418 1189342319 /nfs/dbraw/zinc/34/23/19/1189342319.db2.gz VAOCGJNJWHAFDP-QGZVFWFLSA-N 2 2 310.376 3.257 20 0 DGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cnc1F ZINC001560569417 1189342508 /nfs/dbraw/zinc/34/25/08/1189342508.db2.gz VAOCGJNJWHAFDP-KRWDZBQOSA-N 2 2 310.376 3.257 20 0 DGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001560624219 1189350779 /nfs/dbraw/zinc/35/07/79/1189350779.db2.gz GUXAWSOWZVTCBU-ZDUSSCGKSA-N 2 2 310.869 3.485 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884236 1189400253 /nfs/dbraw/zinc/40/02/53/1189400253.db2.gz RCXUYAIERJTTRK-YOEHRIQHSA-N 2 2 317.452 3.322 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)C1 ZINC001560884236 1189400258 /nfs/dbraw/zinc/40/02/58/1189400258.db2.gz RCXUYAIERJTTRK-YOEHRIQHSA-N 2 2 317.452 3.322 20 0 DGADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896564 1189402450 /nfs/dbraw/zinc/40/24/50/1189402450.db2.gz CFDBOXDJGFIODC-CVEARBPZSA-N 2 2 312.498 3.064 20 0 DGADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)C(=O)OC(C)(C)C)C1 ZINC001560896564 1189402453 /nfs/dbraw/zinc/40/24/53/1189402453.db2.gz CFDBOXDJGFIODC-CVEARBPZSA-N 2 2 312.498 3.064 20 0 DGADLP CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568646658 1190572966 /nfs/dbraw/zinc/57/29/66/1190572966.db2.gz RNKSGBAQAKYMEI-NNTXTVRGSA-N 2 2 314.433 3.017 20 0 DGADLP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001568892170 1190597504 /nfs/dbraw/zinc/59/75/04/1190597504.db2.gz UCTDPQKMULIXCI-FPLPWBNLSA-N 2 2 323.440 3.083 20 0 DGADLP CCCCC[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001570200595 1190817369 /nfs/dbraw/zinc/81/73/69/1190817369.db2.gz AKLRKRTZYBMHRV-UHFFFAOYSA-N 2 2 316.449 3.147 20 0 DGADLP CCCCC[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001570200595 1190817373 /nfs/dbraw/zinc/81/73/73/1190817373.db2.gz AKLRKRTZYBMHRV-UHFFFAOYSA-N 2 2 316.449 3.147 20 0 DGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)nc1 ZINC001575107828 1191466376 /nfs/dbraw/zinc/46/63/76/1191466376.db2.gz KERXKNZDSSZDMD-QGZVFWFLSA-N 2 2 313.445 3.124 20 0 DGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001575141232 1191468936 /nfs/dbraw/zinc/46/89/36/1191468936.db2.gz MFDNVLXYUSUBDH-CVEARBPZSA-N 2 2 308.466 3.336 20 0 DGADLP CC(C)(C)[NH2+]CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001575141232 1191468939 /nfs/dbraw/zinc/46/89/39/1191468939.db2.gz MFDNVLXYUSUBDH-CVEARBPZSA-N 2 2 308.466 3.336 20 0 DGADLP Cc1ccc(-c2nc(C[NH2+][C@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC001620717285 1193794854 /nfs/dbraw/zinc/79/48/54/1193794854.db2.gz YCDPIJPOLMIDEQ-CQSZACIVSA-N 2 2 312.442 3.493 20 0 DGADLP CCc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001621231240 1193819785 /nfs/dbraw/zinc/81/97/85/1193819785.db2.gz ANTOXXIXSQGVPH-GOSISDBHSA-N 2 2 300.446 3.289 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C12CCC2 ZINC001621484703 1193848399 /nfs/dbraw/zinc/84/83/99/1193848399.db2.gz QUTSGTBFKHFZIV-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C12CCC2 ZINC001621484703 1193848400 /nfs/dbraw/zinc/84/84/00/1193848400.db2.gz QUTSGTBFKHFZIV-KZNAEPCWSA-N 2 2 306.494 3.331 20 0 DGADLP CCc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)nc(C)[nH+]1 ZINC001639920211 1194787211 /nfs/dbraw/zinc/78/72/11/1194787211.db2.gz UPMLVLYHWCPUES-MRXNPFEDSA-N 2 2 324.472 3.306 20 0 DGADLP CCc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)nc(C)[nH+]1 ZINC001639920211 1194787213 /nfs/dbraw/zinc/78/72/13/1194787213.db2.gz UPMLVLYHWCPUES-MRXNPFEDSA-N 2 2 324.472 3.306 20 0 DGADLP c1csc(-c2ccc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)cc2)c1 ZINC001642945321 1194955250 /nfs/dbraw/zinc/95/52/50/1194955250.db2.gz XKZPQYDWQAKXPU-UHFFFAOYSA-N 2 2 324.453 3.460 20 0 DGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364784 1195017486 /nfs/dbraw/zinc/01/74/86/1195017486.db2.gz QBJGBUIMJCZBBW-LJQANCHMSA-N 2 2 316.489 3.398 20 0 DGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364784 1195017490 /nfs/dbraw/zinc/01/74/90/1195017490.db2.gz QBJGBUIMJCZBBW-LJQANCHMSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364784 1195017495 /nfs/dbraw/zinc/01/74/95/1195017495.db2.gz QBJGBUIMJCZBBW-LJQANCHMSA-N 2 2 316.489 3.398 20 0 DGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC(C)(C)C1 ZINC001643364784 1195017498 /nfs/dbraw/zinc/01/74/98/1195017498.db2.gz QBJGBUIMJCZBBW-LJQANCHMSA-N 2 2 316.489 3.398 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001643443015 1195025098 /nfs/dbraw/zinc/02/50/98/1195025098.db2.gz IELARNMMPBYZAC-GOSISDBHSA-N 2 2 315.505 3.319 20 0 DGADLP C[C@@H]1CC(C)(C)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001643443015 1195025105 /nfs/dbraw/zinc/02/51/05/1195025105.db2.gz IELARNMMPBYZAC-GOSISDBHSA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@@H](C)[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800110 1195055338 /nfs/dbraw/zinc/05/53/38/1195055338.db2.gz ZRTHIDHDAKSGDH-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@@H](C)[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001643800110 1195055341 /nfs/dbraw/zinc/05/53/41/1195055341.db2.gz ZRTHIDHDAKSGDH-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@@H](C)[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001643800110 1195055343 /nfs/dbraw/zinc/05/53/43/1195055343.db2.gz ZRTHIDHDAKSGDH-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP CC[C@@H](C)[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001643800110 1195055346 /nfs/dbraw/zinc/05/53/46/1195055346.db2.gz ZRTHIDHDAKSGDH-IEBWSBKVSA-N 2 2 304.478 3.398 20 0 DGADLP OC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCCCC1 ZINC001645264163 1195170946 /nfs/dbraw/zinc/17/09/46/1195170946.db2.gz KJBHJLRRSGLXCE-UHFFFAOYSA-N 2 2 319.493 3.461 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608810 1195194494 /nfs/dbraw/zinc/19/44/94/1195194494.db2.gz HJXJAMSYHLYUKX-QYZOEREBSA-N 2 2 308.510 3.390 20 0 DGADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001645608810 1195194497 /nfs/dbraw/zinc/19/44/97/1195194497.db2.gz HJXJAMSYHLYUKX-QYZOEREBSA-N 2 2 308.510 3.390 20 0 DGADLP Clc1cncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001648148864 1195279375 /nfs/dbraw/zinc/27/93/75/1195279375.db2.gz OCIHJKURRKRYML-KRWDZBQOSA-N 2 2 312.804 3.463 20 0 DGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001648308360 1195291558 /nfs/dbraw/zinc/29/15/58/1195291558.db2.gz WSRJZDVXIPEXSU-CQSZACIVSA-N 2 2 306.425 3.120 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC001648646772 1195317572 /nfs/dbraw/zinc/31/75/72/1195317572.db2.gz CLYSFLYCCKCQNV-SOLBZPMBSA-N 2 2 319.493 3.369 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC001648646772 1195317579 /nfs/dbraw/zinc/31/75/79/1195317579.db2.gz CLYSFLYCCKCQNV-SOLBZPMBSA-N 2 2 319.493 3.369 20 0 DGADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647176 1195318400 /nfs/dbraw/zinc/31/84/00/1195318400.db2.gz JKKGUSDVVMYNGI-OAHLLOKOSA-N 2 2 321.465 3.159 20 0 DGADLP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001648647176 1195318404 /nfs/dbraw/zinc/31/84/04/1195318404.db2.gz JKKGUSDVVMYNGI-OAHLLOKOSA-N 2 2 321.465 3.159 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]CCC[NH+]1CCCC1 ZINC001648728409 1195326011 /nfs/dbraw/zinc/32/60/11/1195326011.db2.gz SZYFJNJIXGOBHA-UHFFFAOYSA-N 2 2 300.450 3.193 20 0 DGADLP COc1cccc2c1CCC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C2 ZINC001648775290 1195330595 /nfs/dbraw/zinc/33/05/95/1195330595.db2.gz HVOKPRYJCGEJRQ-AEFFLSMTSA-N 2 2 316.489 3.407 20 0 DGADLP CCC[NH+]1CCC(N(C)c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC001650696289 1195372180 /nfs/dbraw/zinc/37/21/80/1195372180.db2.gz YHNIUOJHRZGUNC-UHFFFAOYSA-N 2 2 302.466 3.363 20 0 DGADLP CCc1c[nH]c2nc[nH+]c(Nc3ccc(CC[NH+](C)C)cc3)c12 ZINC001651492681 1195470278 /nfs/dbraw/zinc/47/02/78/1195470278.db2.gz KFZLCUIKBLHOBT-UHFFFAOYSA-N 2 2 309.417 3.368 20 0 DGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(Cl)ccnc2F)CC1 ZINC001651913258 1195523644 /nfs/dbraw/zinc/52/36/44/1195523644.db2.gz GMCLOIZIRFFDMV-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(Cl)ccnc2F)CC1 ZINC001651913258 1195523647 /nfs/dbraw/zinc/52/36/47/1195523647.db2.gz GMCLOIZIRFFDMV-UHFFFAOYSA-N 2 2 313.848 3.426 20 0 DGADLP CCc1cc(N(CC(C)C)CC2CC[NH+](C)CC2)nc(CC)[nH+]1 ZINC001652155238 1195555152 /nfs/dbraw/zinc/55/51/52/1195555152.db2.gz RUTUGNXRJNGBFB-UHFFFAOYSA-N 2 2 318.509 3.406 20 0 DGADLP CC1(O)CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001652295003 1195576481 /nfs/dbraw/zinc/57/64/81/1195576481.db2.gz JIMAISAIUZQOPU-UHFFFAOYSA-N 2 2 308.510 3.316 20 0 DGADLP COc1ccc(OC)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000067250320 1195613319 /nfs/dbraw/zinc/61/33/19/1195613319.db2.gz CBEQPQXHFJXEGD-UHFFFAOYSA-N 2 2 323.396 3.179 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001652987120 1195678274 /nfs/dbraw/zinc/67/82/74/1195678274.db2.gz ZRJKJHIOIUAOAM-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP COC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001652987120 1195678276 /nfs/dbraw/zinc/67/82/76/1195678276.db2.gz ZRJKJHIOIUAOAM-SJLPKXTDSA-N 2 2 304.478 3.302 20 0 DGADLP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC001653229378 1195700139 /nfs/dbraw/zinc/70/01/39/1195700139.db2.gz HUTDJDIVGDBBPG-QGZVFWFLSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC001653229378 1195700143 /nfs/dbraw/zinc/70/01/43/1195700143.db2.gz HUTDJDIVGDBBPG-QGZVFWFLSA-N 2 2 316.489 3.387 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001653230705 1195701475 /nfs/dbraw/zinc/70/14/75/1195701475.db2.gz LWNSFUJQPYFHNV-HNNXBMFYSA-N 2 2 318.461 3.058 20 0 DGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001653230705 1195701477 /nfs/dbraw/zinc/70/14/77/1195701477.db2.gz LWNSFUJQPYFHNV-HNNXBMFYSA-N 2 2 318.461 3.058 20 0 DGADLP CC(C)[C@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC001653507732 1195729608 /nfs/dbraw/zinc/72/96/08/1195729608.db2.gz RCGKYCSRIZRUJB-LJQANCHMSA-N 2 2 313.445 3.064 20 0 DGADLP Cc1cc(C)[nH+]c(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC001654162505 1195779952 /nfs/dbraw/zinc/77/99/52/1195779952.db2.gz SWYDBSRQMUWEEH-OAQYLSRUSA-N 2 2 323.484 3.447 20 0 DGADLP Cc1cc(C)[nH+]c(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC001654162505 1195779954 /nfs/dbraw/zinc/77/99/54/1195779954.db2.gz SWYDBSRQMUWEEH-OAQYLSRUSA-N 2 2 323.484 3.447 20 0 DGADLP Cc1cc(C)[nH+]c(CN2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC001654162504 1195780446 /nfs/dbraw/zinc/78/04/46/1195780446.db2.gz SWYDBSRQMUWEEH-NRFANRHFSA-N 2 2 323.484 3.447 20 0 DGADLP Cc1cc(C)[nH+]c(CN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC001654162504 1195780447 /nfs/dbraw/zinc/78/04/47/1195780447.db2.gz SWYDBSRQMUWEEH-NRFANRHFSA-N 2 2 323.484 3.447 20 0 DGADLP CC[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC001654218311 1195784699 /nfs/dbraw/zinc/78/46/99/1195784699.db2.gz KUMAOXBXVZCTNQ-OALUTQOASA-N 2 2 315.505 3.319 20 0 DGADLP CC[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC001654218311 1195784709 /nfs/dbraw/zinc/78/47/09/1195784709.db2.gz KUMAOXBXVZCTNQ-OALUTQOASA-N 2 2 315.505 3.319 20 0 DGADLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccc(F)c4cccnc34)C[C@]2(C)C1 ZINC001654414386 1195800928 /nfs/dbraw/zinc/80/09/28/1195800928.db2.gz CLARCGHKLYLODQ-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP C[N@H+]1C[C@]2(C)C[NH+](Cc3ccc(F)c4cccnc34)C[C@]2(C)C1 ZINC001654414386 1195800931 /nfs/dbraw/zinc/80/09/31/1195800931.db2.gz CLARCGHKLYLODQ-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@H+](Cc3ccc(F)c4cccnc34)C[C@]2(C)C1 ZINC001654414386 1195800934 /nfs/dbraw/zinc/80/09/34/1195800934.db2.gz CLARCGHKLYLODQ-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccc(F)c4cccnc34)C[C@]2(C)C1 ZINC001654414386 1195800937 /nfs/dbraw/zinc/80/09/37/1195800937.db2.gz CLARCGHKLYLODQ-KDURUIRLSA-N 2 2 313.420 3.148 20 0 DGADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000069747521 1195816891 /nfs/dbraw/zinc/81/68/91/1195816891.db2.gz ATLUDNHWUPSSCE-UHFFFAOYSA-N 2 2 310.441 3.117 20 0 DGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)C[C@]2(C)C1 ZINC001654953432 1195858396 /nfs/dbraw/zinc/85/83/96/1195858396.db2.gz PACVFIQGKCWRPS-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccc(Cl)cc4n3)C[C@]2(C)C1 ZINC001654953432 1195858399 /nfs/dbraw/zinc/85/83/99/1195858399.db2.gz PACVFIQGKCWRPS-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@]2(C)C1 ZINC001654953432 1195858402 /nfs/dbraw/zinc/85/84/02/1195858402.db2.gz PACVFIQGKCWRPS-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccc(Cl)cc4n3)C[C@]2(C)C1 ZINC001654953432 1195858405 /nfs/dbraw/zinc/85/84/05/1195858405.db2.gz PACVFIQGKCWRPS-KDOFPFPSSA-N 2 2 315.848 3.272 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC001655123807 1195879676 /nfs/dbraw/zinc/87/96/76/1195879676.db2.gz UUWMBFZBWAMCRL-OAHLLOKOSA-N 2 2 305.466 3.193 20 0 DGADLP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c(F)c1OC ZINC001655206979 1195890420 /nfs/dbraw/zinc/89/04/20/1195890420.db2.gz QLRIYFZSBQINJA-UHFFFAOYSA-N 2 2 324.440 3.055 20 0 DGADLP CCOc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC001655259446 1195896455 /nfs/dbraw/zinc/89/64/55/1195896455.db2.gz JLJMOBIZWNDQTL-UHFFFAOYSA-N 2 2 322.412 3.015 20 0 DGADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001655302378 1195901251 /nfs/dbraw/zinc/90/12/51/1195901251.db2.gz WXBJKHPLTOFKSN-STQMWFEESA-N 2 2 312.889 3.083 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001655724608 1195956635 /nfs/dbraw/zinc/95/66/35/1195956635.db2.gz CBXYXERMHCQZPL-HOTGVXAUSA-N 2 2 314.477 3.409 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001655749288 1195959573 /nfs/dbraw/zinc/95/95/73/1195959573.db2.gz ORPLRHQMSAYERC-APWZRJJASA-N 2 2 301.478 3.151 20 0 DGADLP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001655749288 1195959576 /nfs/dbraw/zinc/95/95/76/1195959576.db2.gz ORPLRHQMSAYERC-APWZRJJASA-N 2 2 301.478 3.151 20 0 DGADLP CCc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001655749288 1195959579 /nfs/dbraw/zinc/95/95/79/1195959579.db2.gz ORPLRHQMSAYERC-APWZRJJASA-N 2 2 301.478 3.151 20 0 DGADLP CCc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001655749288 1195959583 /nfs/dbraw/zinc/95/95/83/1195959583.db2.gz ORPLRHQMSAYERC-APWZRJJASA-N 2 2 301.478 3.151 20 0 DGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC001655949118 1195981801 /nfs/dbraw/zinc/98/18/01/1195981801.db2.gz VQKRXHQYHSPNLG-CTWPCTMYSA-N 2 2 310.526 3.395 20 0 DGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC001655949118 1195981803 /nfs/dbraw/zinc/98/18/03/1195981803.db2.gz VQKRXHQYHSPNLG-CTWPCTMYSA-N 2 2 310.526 3.395 20 0 DGADLP C[NH+](C)CC1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCCC1 ZINC001656064014 1195994270 /nfs/dbraw/zinc/99/42/70/1195994270.db2.gz PGZDUTMHGRDPQG-HNNXBMFYSA-N 2 2 323.506 3.206 20 0 DGADLP CN(C)c1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001656370768 1196033073 /nfs/dbraw/zinc/03/30/73/1196033073.db2.gz JASWWFKFBGUNTP-UHFFFAOYSA-N 2 2 312.442 3.290 20 0 DGADLP CC[N@H+](CCn1cc[nH+]c1C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001656541040 1196048873 /nfs/dbraw/zinc/04/88/73/1196048873.db2.gz ROZLRTGEOXZOAW-ZDUSSCGKSA-N 2 2 318.490 3.295 20 0 DGADLP CC[N@@H+](CCn1cc[nH+]c1C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001656541040 1196048874 /nfs/dbraw/zinc/04/88/74/1196048874.db2.gz ROZLRTGEOXZOAW-ZDUSSCGKSA-N 2 2 318.490 3.295 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC001656549906 1196049298 /nfs/dbraw/zinc/04/92/98/1196049298.db2.gz WKBFJDGECLTIOC-UHFFFAOYSA-N 2 2 305.809 3.159 20 0 DGADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C)Cn3cc[nH+]c3)s2)cc1 ZINC001656743473 1196067477 /nfs/dbraw/zinc/06/74/77/1196067477.db2.gz PHHPEBARCMICKU-CQSZACIVSA-N 2 2 312.442 3.493 20 0 DGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC001656746941 1196068084 /nfs/dbraw/zinc/06/80/84/1196068084.db2.gz VLGDRXZFNYSWCT-UHFFFAOYSA-N 2 2 307.457 3.246 20 0 DGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC001656746941 1196068085 /nfs/dbraw/zinc/06/80/85/1196068085.db2.gz VLGDRXZFNYSWCT-UHFFFAOYSA-N 2 2 307.457 3.246 20 0 DGADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001656769437 1196070542 /nfs/dbraw/zinc/07/05/42/1196070542.db2.gz BGTOIYVOKYHTJF-UKRRQHHQSA-N 2 2 319.836 3.361 20 0 DGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001656955072 1196086564 /nfs/dbraw/zinc/08/65/64/1196086564.db2.gz HZDOUKHCJNEZLD-KBPBESRZSA-N 2 2 307.507 3.089 20 0 DGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001656955072 1196086567 /nfs/dbraw/zinc/08/65/67/1196086567.db2.gz HZDOUKHCJNEZLD-KBPBESRZSA-N 2 2 307.507 3.089 20 0 DGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072725838 1196112433 /nfs/dbraw/zinc/11/24/33/1196112433.db2.gz JXUNZBJDAJMUTJ-INIZCTEOSA-N 2 2 318.852 3.304 20 0 DGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072725838 1196112436 /nfs/dbraw/zinc/11/24/36/1196112436.db2.gz JXUNZBJDAJMUTJ-INIZCTEOSA-N 2 2 318.852 3.304 20 0 DGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccncc2)c(C)c1 ZINC001657627419 1196161797 /nfs/dbraw/zinc/16/17/97/1196161797.db2.gz QJYJIKKTDYKOMY-IBGZPJMESA-N 2 2 306.413 3.426 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001657680277 1196168925 /nfs/dbraw/zinc/16/89/25/1196168925.db2.gz ANPAPIISIAVOIN-INIZCTEOSA-N 2 2 314.477 3.439 20 0 DGADLP CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001657680277 1196168927 /nfs/dbraw/zinc/16/89/27/1196168927.db2.gz ANPAPIISIAVOIN-INIZCTEOSA-N 2 2 314.477 3.439 20 0 DGADLP COCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000073651177 1196176438 /nfs/dbraw/zinc/17/64/38/1196176438.db2.gz VIIQFAXOZJHDCO-UHFFFAOYSA-N 2 2 307.397 3.309 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)CC2 ZINC001657910336 1196192960 /nfs/dbraw/zinc/19/29/60/1196192960.db2.gz MOFUORTZECBJJA-IEBWSBKVSA-N 2 2 316.489 3.263 20 0 DGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)CC2 ZINC001657910336 1196192961 /nfs/dbraw/zinc/19/29/61/1196192961.db2.gz MOFUORTZECBJJA-IEBWSBKVSA-N 2 2 316.489 3.263 20 0 DGADLP CCO[C@H](C[NH2+]C/C(C)=C\c1ccc(Cl)cc1)C[NH+](C)C ZINC001657973354 1196198002 /nfs/dbraw/zinc/19/80/02/1196198002.db2.gz JHHBKZAQNIOBMZ-OOXMNIKJSA-N 2 2 310.869 3.300 20 0 DGADLP Oc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271213 1196233746 /nfs/dbraw/zinc/23/37/46/1196233746.db2.gz UEPOMBPXQLJKGC-KDOFPFPSSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC001658271213 1196233752 /nfs/dbraw/zinc/23/37/52/1196233752.db2.gz UEPOMBPXQLJKGC-KDOFPFPSSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001658271213 1196233757 /nfs/dbraw/zinc/23/37/57/1196233757.db2.gz UEPOMBPXQLJKGC-KDOFPFPSSA-N 2 2 320.864 3.494 20 0 DGADLP Oc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001658271213 1196233759 /nfs/dbraw/zinc/23/37/59/1196233759.db2.gz UEPOMBPXQLJKGC-KDOFPFPSSA-N 2 2 320.864 3.494 20 0 DGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001658550644 1196273311 /nfs/dbraw/zinc/27/33/11/1196273311.db2.gz VHNXXOQTGVRNTL-LNLFQRSKSA-N 2 2 316.489 3.336 20 0 DGADLP CCc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001658756094 1196296869 /nfs/dbraw/zinc/29/68/69/1196296869.db2.gz ANTOXXIXSQGVPH-SFHVURJKSA-N 2 2 300.446 3.289 20 0 DGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001659091548 1196343556 /nfs/dbraw/zinc/34/35/56/1196343556.db2.gz IIIVIXGUSFYFQM-IEBWSBKVSA-N 2 2 315.505 3.223 20 0 DGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC001659091548 1196343559 /nfs/dbraw/zinc/34/35/59/1196343559.db2.gz IIIVIXGUSFYFQM-IEBWSBKVSA-N 2 2 315.505 3.223 20 0 DGADLP C[N@@H+]1C[C@]23C[NH+](Cc4ccc(C(F)F)nc4)C[C@@]2(C1)CCCC3 ZINC001659123006 1196347906 /nfs/dbraw/zinc/34/79/06/1196347906.db2.gz XIEABKKONZKPJR-HDICACEKSA-N 2 2 321.415 3.327 20 0 DGADLP C[N@H+]1C[C@]23C[NH+](Cc4ccc(C(F)F)nc4)C[C@@]2(C1)CCCC3 ZINC001659123006 1196347914 /nfs/dbraw/zinc/34/79/14/1196347914.db2.gz XIEABKKONZKPJR-HDICACEKSA-N 2 2 321.415 3.327 20 0 DGADLP C[NH+]1C[C@]23C[N@H+](Cc4ccc(C(F)F)nc4)C[C@@]2(C1)CCCC3 ZINC001659123006 1196347916 /nfs/dbraw/zinc/34/79/16/1196347916.db2.gz XIEABKKONZKPJR-HDICACEKSA-N 2 2 321.415 3.327 20 0 DGADLP C[NH+]1C[C@]23C[N@@H+](Cc4ccc(C(F)F)nc4)C[C@@]2(C1)CCCC3 ZINC001659123006 1196347925 /nfs/dbraw/zinc/34/79/25/1196347925.db2.gz XIEABKKONZKPJR-HDICACEKSA-N 2 2 321.415 3.327 20 0 DGADLP Cc1nc(C(C)C)ccc1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001659655968 1196403455 /nfs/dbraw/zinc/40/34/55/1196403455.db2.gz IDFVFZOBEMBQLS-OALUTQOASA-N 2 2 301.478 3.287 20 0 DGADLP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001659767613 1196413589 /nfs/dbraw/zinc/41/35/89/1196413589.db2.gz YHWZYTQAXRKNGB-RYUDHWBXSA-N 2 2 317.260 3.445 20 0 DGADLP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001659767613 1196413593 /nfs/dbraw/zinc/41/35/93/1196413593.db2.gz YHWZYTQAXRKNGB-RYUDHWBXSA-N 2 2 317.260 3.445 20 0 DGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000075799816 1196422697 /nfs/dbraw/zinc/42/26/97/1196422697.db2.gz FKEMOTCWKJYABQ-LBPRGKRZSA-N 2 2 316.405 3.324 20 0 DGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC001659971491 1196433838 /nfs/dbraw/zinc/43/38/38/1196433838.db2.gz QGFPMJGQRQYFOY-UHFFFAOYSA-N 2 2 324.509 3.449 20 0 DGADLP CC(C)c1cnc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)s1 ZINC001660237758 1196459855 /nfs/dbraw/zinc/45/98/55/1196459855.db2.gz BWPMHKZIEYKDOF-UHFFFAOYSA-N 2 2 304.463 3.380 20 0 DGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC001660677161 1196511217 /nfs/dbraw/zinc/51/12/17/1196511217.db2.gz HMGCUGPGPYFMIO-KRWDZBQOSA-N 2 2 318.509 3.303 20 0 DGADLP C[C@@H]1C[NH+](CCC[NH2+]CC(C)(C)c2ccccc2)C[C@@H](C)O1 ZINC001660827800 1196530689 /nfs/dbraw/zinc/53/06/89/1196530689.db2.gz HEDFTJHRYXRLNS-IAGOWNOFSA-N 2 2 304.478 3.053 20 0 DGADLP CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001660879988 1196537934 /nfs/dbraw/zinc/53/79/34/1196537934.db2.gz NFUWOCAAKWSKDX-MOPGFXCFSA-N 2 2 313.445 3.369 20 0 DGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC001660919128 1196542182 /nfs/dbraw/zinc/54/21/82/1196542182.db2.gz UJPNYKFCGMVVEP-QGZVFWFLSA-N 2 2 324.472 3.126 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001661411998 1196603332 /nfs/dbraw/zinc/60/33/32/1196603332.db2.gz VFXXZBQIPLSYLG-IPMKNSEASA-N 2 2 308.510 3.436 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001661411998 1196603333 /nfs/dbraw/zinc/60/33/33/1196603333.db2.gz VFXXZBQIPLSYLG-IPMKNSEASA-N 2 2 308.510 3.436 20 0 DGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001661411997 1196603497 /nfs/dbraw/zinc/60/34/97/1196603497.db2.gz VFXXZBQIPLSYLG-GUDVDZBRSA-N 2 2 308.510 3.436 20 0 DGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001661411997 1196603499 /nfs/dbraw/zinc/60/34/99/1196603499.db2.gz VFXXZBQIPLSYLG-GUDVDZBRSA-N 2 2 308.510 3.436 20 0 DGADLP C[NH+](C)[C@]1(C[NH2+]Cc2ccc3ccccc3c2)CCSC1 ZINC001661634828 1196626132 /nfs/dbraw/zinc/62/61/32/1196626132.db2.gz VFIAALNRONYSAF-SFHVURJKSA-N 2 2 300.471 3.367 20 0 DGADLP CCc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC001661975517 1196667411 /nfs/dbraw/zinc/66/74/11/1196667411.db2.gz NXQMZFYAAKTJON-LJQANCHMSA-N 2 2 324.472 3.396 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001662188682 1196692261 /nfs/dbraw/zinc/69/22/61/1196692261.db2.gz VOBGNLMLENBUJF-UONOGXRCSA-N 2 2 324.900 3.299 20 0 DGADLP CCn1cnc(Cl)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001662188682 1196692263 /nfs/dbraw/zinc/69/22/63/1196692263.db2.gz VOBGNLMLENBUJF-UONOGXRCSA-N 2 2 324.900 3.299 20 0 DGADLP CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)CC1 ZINC001663940190 1196959264 /nfs/dbraw/zinc/95/92/64/1196959264.db2.gz NDBWHGQWPINKLI-MRXNPFEDSA-N 2 2 318.465 3.206 20 0 DGADLP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)CC1 ZINC001663940190 1196959266 /nfs/dbraw/zinc/95/92/66/1196959266.db2.gz NDBWHGQWPINKLI-MRXNPFEDSA-N 2 2 318.465 3.206 20 0 DGADLP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001673454288 1197088529 /nfs/dbraw/zinc/08/85/29/1197088529.db2.gz GRHHIFXSFJIJES-AWEZNQCLSA-N 2 2 319.493 3.447 20 0 DGADLP CC[C@H](C)C[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001673454288 1197088533 /nfs/dbraw/zinc/08/85/33/1197088533.db2.gz GRHHIFXSFJIJES-AWEZNQCLSA-N 2 2 319.493 3.447 20 0 DGADLP C[C@@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001665711954 1197179501 /nfs/dbraw/zinc/17/95/01/1197179501.db2.gz HPZXTCQZBZJAHD-WQUXRXDGSA-N 2 2 321.553 3.349 20 0 DGADLP C[C@@H]([NH2+]C1CCC(C2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001665711954 1197179502 /nfs/dbraw/zinc/17/95/02/1197179502.db2.gz HPZXTCQZBZJAHD-WQUXRXDGSA-N 2 2 321.553 3.349 20 0 DGADLP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001665837243 1197204418 /nfs/dbraw/zinc/20/44/18/1197204418.db2.gz KQIQVRJUPQHLPR-HXUWFJFHSA-N 2 2 309.457 3.439 20 0 DGADLP c1cc(CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001665932273 1197218285 /nfs/dbraw/zinc/21/82/85/1197218285.db2.gz ZPSYWSJFXLUXTD-UHFFFAOYSA-N 2 2 301.459 3.334 20 0 DGADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)c[nH+]1 ZINC000084017912 1197457538 /nfs/dbraw/zinc/45/75/38/1197457538.db2.gz ICSRRHMBNQBTDF-UHFFFAOYSA-N 2 2 303.369 3.038 20 0 DGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000379681516 1197703111 /nfs/dbraw/zinc/70/31/11/1197703111.db2.gz REJDAWGHDYUQJC-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000379681516 1197703120 /nfs/dbraw/zinc/70/31/20/1197703120.db2.gz REJDAWGHDYUQJC-QGZVFWFLSA-N 2 2 304.478 3.444 20 0 DGADLP CCc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000380996823 1197704811 /nfs/dbraw/zinc/70/48/11/1197704811.db2.gz MUNBRXCAFHRVHL-KSSFIOAISA-N 2 2 310.445 3.422 20 0 DGADLP CCc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000380996823 1197704814 /nfs/dbraw/zinc/70/48/14/1197704814.db2.gz MUNBRXCAFHRVHL-KSSFIOAISA-N 2 2 310.445 3.422 20 0 DGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683841 1198717643 /nfs/dbraw/zinc/71/76/43/1198717643.db2.gz GKDDANQRBDOWJF-INIZCTEOSA-N 2 2 306.425 3.142 20 0 DGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000093683841 1198717646 /nfs/dbraw/zinc/71/76/46/1198717646.db2.gz GKDDANQRBDOWJF-INIZCTEOSA-N 2 2 306.425 3.142 20 0 DGADLP Clc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000401918889 1199425428 /nfs/dbraw/zinc/42/54/28/1199425428.db2.gz YWVAKVVBNUWZIS-UHFFFAOYSA-N 2 2 315.848 3.489 20 0 DGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1 ZINC000113956170 1199688966 /nfs/dbraw/zinc/68/89/66/1199688966.db2.gz MNYTUGWBDDGDAU-MRXNPFEDSA-N 2 2 307.397 3.429 20 0 DGADLP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732138 1199709182 /nfs/dbraw/zinc/70/91/82/1199709182.db2.gz NWTBVGVEEXINAE-RTWAWAEBSA-N 2 2 323.484 3.153 20 0 DGADLP C[NH+](C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000309732138 1199709183 /nfs/dbraw/zinc/70/91/83/1199709183.db2.gz NWTBVGVEEXINAE-RTWAWAEBSA-N 2 2 323.484 3.153 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946789 1199797104 /nfs/dbraw/zinc/79/71/04/1199797104.db2.gz SWHRZAIWJAKZOQ-CZUORRHYSA-N 2 2 319.499 3.432 20 0 DGADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000314946789 1199797106 /nfs/dbraw/zinc/79/71/06/1199797106.db2.gz SWHRZAIWJAKZOQ-CZUORRHYSA-N 2 2 319.499 3.432 20 0 DGADLP Cc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC000117383848 1199826427 /nfs/dbraw/zinc/82/64/27/1199826427.db2.gz YBOKQVRYUYZGEK-UHFFFAOYSA-N 2 2 316.405 3.375 20 0 DGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCSCC1)Cc1ccccc1 ZINC000119291912 1200051945 /nfs/dbraw/zinc/05/19/45/1200051945.db2.gz SCSFVJGHARBQKN-SFHVURJKSA-N 2 2 306.519 3.425 20 0 DGADLP CCCC[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754923462 1200538667 /nfs/dbraw/zinc/53/86/67/1200538667.db2.gz PMBNBETWLVGALM-KRWDZBQOSA-N 2 2 317.477 3.249 20 0 DGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000136016585 1201209590 /nfs/dbraw/zinc/20/95/90/1201209590.db2.gz QTAMSODBEUSWSA-UHFFFAOYSA-N 2 2 314.832 3.070 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000136296688 1201210124 /nfs/dbraw/zinc/21/01/24/1201210124.db2.gz BGSUDVNPJHFTOC-GDBMZVCRSA-N 2 2 301.459 3.286 20 0 DGADLP C[C@@H]1C[C@H]([NH2+]Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000136296688 1201210132 /nfs/dbraw/zinc/21/01/32/1201210132.db2.gz BGSUDVNPJHFTOC-GDBMZVCRSA-N 2 2 301.459 3.286 20 0 DGADLP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699028813 1201694969 /nfs/dbraw/zinc/69/49/69/1201694969.db2.gz MTYBUJNMKQVKBT-DLBZAZTESA-N 2 2 317.477 3.295 20 0 DGADLP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001699367599 1201815534 /nfs/dbraw/zinc/81/55/34/1201815534.db2.gz NLINZNQIXVPHEB-HZPDHXFCSA-N 2 2 322.497 3.001 20 0 DGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC1CC1 ZINC001753146107 1202163421 /nfs/dbraw/zinc/16/34/21/1202163421.db2.gz JBUWPKVQJXSAAG-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCC1CC1 ZINC001753146107 1202163432 /nfs/dbraw/zinc/16/34/32/1202163432.db2.gz JBUWPKVQJXSAAG-UHFFFAOYSA-N 2 2 317.477 3.249 20 0 DGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCC(C)(C)C ZINC001700465463 1202283662 /nfs/dbraw/zinc/28/36/62/1202283662.db2.gz FBXSSYUKONQKKU-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCC(C)(C)C ZINC001700465463 1202283664 /nfs/dbraw/zinc/28/36/64/1202283664.db2.gz FBXSSYUKONQKKU-CYBMUJFWSA-N 2 2 316.449 3.049 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)CCCCCF)c(C)[nH+]1 ZINC001700469291 1202285397 /nfs/dbraw/zinc/28/53/97/1202285397.db2.gz AILWNLNCENLILP-HNNXBMFYSA-N 2 2 323.456 3.197 20 0 DGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)CCCCCF)c(C)[nH+]1 ZINC001700469291 1202285399 /nfs/dbraw/zinc/28/53/99/1202285399.db2.gz AILWNLNCENLILP-HNNXBMFYSA-N 2 2 323.456 3.197 20 0 DGADLP CCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001753666392 1202309072 /nfs/dbraw/zinc/30/90/72/1202309072.db2.gz GRXCWMGWIQHFRY-UHFFFAOYSA-N 2 2 317.477 3.439 20 0 DGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)c(C)[nH+]1 ZINC001700991939 1202377818 /nfs/dbraw/zinc/37/78/18/1202377818.db2.gz TUNHSFZETCYPDQ-MRXNPFEDSA-N 2 2 317.477 3.151 20 0 DGADLP CC[N@@H+](CC=C(C)C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001707457619 1202586353 /nfs/dbraw/zinc/58/63/53/1202586353.db2.gz VXHMHCHBFMGMAC-UHFFFAOYSA-N 2 2 317.477 3.415 20 0 DGADLP CC[N@H+](CC=C(C)C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001707457619 1202586354 /nfs/dbraw/zinc/58/63/54/1202586354.db2.gz VXHMHCHBFMGMAC-UHFFFAOYSA-N 2 2 317.477 3.415 20 0 DGADLP CCCC[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155170279 1202598529 /nfs/dbraw/zinc/59/85/29/1202598529.db2.gz JOUGQDPLVXNVTA-KRWDZBQOSA-N 2 2 320.477 3.066 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000157287686 1202602115 /nfs/dbraw/zinc/60/21/15/1202602115.db2.gz LWXCAMCLWWDUAV-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP COc1cc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000157287686 1202602116 /nfs/dbraw/zinc/60/21/16/1202602116.db2.gz LWXCAMCLWWDUAV-LLVKDONJSA-N 2 2 317.260 3.433 20 0 DGADLP COc1ccc(Cl)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000234844953 1202603996 /nfs/dbraw/zinc/60/39/96/1202603996.db2.gz JXYIGJUMCALUDB-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP COc1ccc(Cl)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000234844953 1202603997 /nfs/dbraw/zinc/60/39/97/1202603997.db2.gz JXYIGJUMCALUDB-ZDUSSCGKSA-N 2 2 308.853 3.313 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320530 1202604717 /nfs/dbraw/zinc/60/47/17/1202604717.db2.gz QERHJFLCNFGBKX-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159320530 1202604718 /nfs/dbraw/zinc/60/47/18/1202604718.db2.gz QERHJFLCNFGBKX-MNOVXSKESA-N 2 2 304.331 3.404 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OCC ZINC000237010452 1202640677 /nfs/dbraw/zinc/64/06/77/1202640677.db2.gz PXOFTPWTIBWUMT-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCC ZINC000237010452 1202640678 /nfs/dbraw/zinc/64/06/78/1202640678.db2.gz PXOFTPWTIBWUMT-SJORKVTESA-N 2 2 318.461 3.200 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000237029413 1202641474 /nfs/dbraw/zinc/64/14/74/1202641474.db2.gz KBSJELYQNOSNFB-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000237029413 1202641475 /nfs/dbraw/zinc/64/14/75/1202641475.db2.gz KBSJELYQNOSNFB-MRXNPFEDSA-N 2 2 314.477 3.268 20 0 DGADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000237380147 1202672685 /nfs/dbraw/zinc/67/26/85/1202672685.db2.gz CCSRIVDQLCTHCS-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000237380147 1202672686 /nfs/dbraw/zinc/67/26/86/1202672686.db2.gz CCSRIVDQLCTHCS-IBGZPJMESA-N 2 2 310.441 3.449 20 0 DGADLP Cc1noc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000237624739 1202685026 /nfs/dbraw/zinc/68/50/26/1202685026.db2.gz BXTPKGHZPPDPMT-UHFFFAOYSA-N 2 2 314.364 3.214 20 0 DGADLP Cc1cccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000237632154 1202685233 /nfs/dbraw/zinc/68/52/33/1202685233.db2.gz JOCQFXUONILXIO-UHFFFAOYSA-N 2 2 304.503 3.446 20 0 DGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001714480998 1202954921 /nfs/dbraw/zinc/95/49/21/1202954921.db2.gz UOLKQNVNBAHUIV-KDJCLPLCSA-N 2 2 317.477 3.151 20 0 DGADLP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714481026 1202955345 /nfs/dbraw/zinc/95/53/45/1202955345.db2.gz VALTVCJLNZNBPO-MVGZEHJDSA-N 2 2 317.477 3.461 20 0 DGADLP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522126 1202977534 /nfs/dbraw/zinc/97/75/34/1202977534.db2.gz LKMCWVBHIPOHLT-INIZCTEOSA-N 2 2 303.450 3.001 20 0 DGADLP CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522126 1202977537 /nfs/dbraw/zinc/97/75/37/1202977537.db2.gz LKMCWVBHIPOHLT-INIZCTEOSA-N 2 2 303.450 3.001 20 0 DGADLP CCCCCC[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725497676 1204159496 /nfs/dbraw/zinc/15/94/96/1204159496.db2.gz SOMWLGCJCMOONO-CQSZACIVSA-N 2 2 316.449 3.193 20 0 DGADLP CCCCC[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001725780458 1204220209 /nfs/dbraw/zinc/22/02/09/1204220209.db2.gz NQWQIRHNWDPZRD-UHFFFAOYSA-N 2 2 317.477 3.390 20 0 DGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001731521744 1204440777 /nfs/dbraw/zinc/44/07/77/1204440777.db2.gz KUYZIKDQMBBCSK-KRWDZBQOSA-N 2 2 317.477 3.105 20 0 DGADLP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001732561279 1204896946 /nfs/dbraw/zinc/89/69/46/1204896946.db2.gz ATQQWSBXHAYULE-DYVFJYSZSA-N 2 2 319.493 3.397 20 0 DGADLP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734335151 1205366492 /nfs/dbraw/zinc/36/64/92/1205366492.db2.gz UVAHBIOFYUPEPM-ZDUSSCGKSA-N 2 2 316.449 3.049 20 0 DGADLP